smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](CC)C(N)=O)[C@H](C)C1 ZINC001106910552 751552397 /nfs/dbraw/zinc/55/23/97/751552397.db2.gz CUXLDJPSOYSJAM-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1 ZINC001107040104 751789562 /nfs/dbraw/zinc/78/95/62/751789562.db2.gz CYYZQZQIBYKKIY-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232358 747031308 /nfs/dbraw/zinc/03/13/08/747031308.db2.gz ACDGQTYZXHFXGY-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001167257599 747041602 /nfs/dbraw/zinc/04/16/02/747041602.db2.gz CTKGMDWTYBHKDZ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001210811904 747138054 /nfs/dbraw/zinc/13/80/54/747138054.db2.gz RIUNVVZDPBZCMV-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001211286767 747191851 /nfs/dbraw/zinc/19/18/51/747191851.db2.gz WHRSVHHKHMDEQF-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676214 747593747 /nfs/dbraw/zinc/59/37/47/747593747.db2.gz KMGVDSIHQDWRJX-WLYUNCDWSA-N 1 3 324.469 0.481 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)C1 ZINC001083274938 747678479 /nfs/dbraw/zinc/67/84/79/747678479.db2.gz HNSLMQUDSLQKJV-OWCLPIDISA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)C1 ZINC001083274938 747678481 /nfs/dbraw/zinc/67/84/81/747678481.db2.gz HNSLMQUDSLQKJV-OWCLPIDISA-N 1 3 307.438 0.650 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100769571 747899936 /nfs/dbraw/zinc/89/99/36/747899936.db2.gz QBTVOJNXZSKPPM-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCc2cnn(C)c2)C1 ZINC001100769770 747901042 /nfs/dbraw/zinc/90/10/42/747901042.db2.gz ZSJDVRREKDFTJN-UHFFFAOYSA-N 1 3 321.469 0.789 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104936387 747985072 /nfs/dbraw/zinc/98/50/72/747985072.db2.gz QYULXUWNCDLAOI-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001167835941 748409724 /nfs/dbraw/zinc/40/97/24/748409724.db2.gz LKHAKPSVZRGFPC-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059352032 749016973 /nfs/dbraw/zinc/01/69/73/749016973.db2.gz NSSAXVWQXNWUQG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088655823 749832545 /nfs/dbraw/zinc/83/25/45/749832545.db2.gz SZZSICSBYAFHEF-ZNMIVQPWSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001168346185 749926960 /nfs/dbraw/zinc/92/69/60/749926960.db2.gz WHTNPNYSEFSPDJ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CC1CC1 ZINC001088757429 749978564 /nfs/dbraw/zinc/97/85/64/749978564.db2.gz YSGLDHDXQIBTFN-OBRUTRKRSA-N 1 3 319.449 0.839 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CC1CC1 ZINC001088757429 749978569 /nfs/dbraw/zinc/97/85/69/749978569.db2.gz YSGLDHDXQIBTFN-OBRUTRKRSA-N 1 3 319.449 0.839 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904975336 750432973 /nfs/dbraw/zinc/43/29/73/750432973.db2.gz VNJUVRQRBSUQSD-DYVFJYSZSA-N 1 3 322.453 0.269 20 0 DCADHO CCCNCc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098763022 750706701 /nfs/dbraw/zinc/70/67/01/750706701.db2.gz SNIJGMWHZGKVCN-OAHLLOKOSA-N 1 3 322.457 0.893 20 0 DCADHO CCCNCc1cn([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001098763022 750706704 /nfs/dbraw/zinc/70/67/04/750706704.db2.gz SNIJGMWHZGKVCN-OAHLLOKOSA-N 1 3 322.457 0.893 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cn1 ZINC001127254562 750928444 /nfs/dbraw/zinc/92/84/44/750928444.db2.gz GAHDADDYVBGPQF-HUUCEWRRSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cn1 ZINC001127254562 750928448 /nfs/dbraw/zinc/92/84/48/750928448.db2.gz GAHDADDYVBGPQF-HUUCEWRRSA-N 1 3 305.426 0.500 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCC1 ZINC001127256038 750939244 /nfs/dbraw/zinc/93/92/44/750939244.db2.gz MCBJEYXKVFLXIH-CABCVRRESA-N 1 3 322.453 0.189 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCC1 ZINC001127256038 750939246 /nfs/dbraw/zinc/93/92/46/750939246.db2.gz MCBJEYXKVFLXIH-CABCVRRESA-N 1 3 322.453 0.189 20 0 DCADHO C[NH+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463129 750996591 /nfs/dbraw/zinc/99/65/91/750996591.db2.gz QOFIYOXVYKVQHI-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO Cn1cc(CC[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cn1 ZINC001127322478 751111159 /nfs/dbraw/zinc/11/11/59/751111159.db2.gz QDNZLVJVNZQLBF-UHFFFAOYSA-N 1 3 321.469 0.933 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356675 751193914 /nfs/dbraw/zinc/19/39/14/751193914.db2.gz LJAYFSAIXYCCPB-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356675 751193918 /nfs/dbraw/zinc/19/39/18/751193918.db2.gz LJAYFSAIXYCCPB-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077924151 752871206 /nfs/dbraw/zinc/87/12/06/752871206.db2.gz VTNOREWLTVBXLC-HZPDHXFCSA-N 1 3 311.470 0.924 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078197671 753102890 /nfs/dbraw/zinc/10/28/90/753102890.db2.gz MPMNJWHRYIAULM-NSHDSACASA-N 1 3 309.414 0.223 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CN(C(C)C)C[C@@H]2O)C1 ZINC001047408038 754255248 /nfs/dbraw/zinc/25/52/48/754255248.db2.gz RZTMCYWXVYXXMH-JYJNAYRXSA-N 1 3 311.470 0.876 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CN(C(C)C)C[C@@H]2O)C1 ZINC001047408038 754255254 /nfs/dbraw/zinc/25/52/54/754255254.db2.gz RZTMCYWXVYXXMH-JYJNAYRXSA-N 1 3 311.470 0.876 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001128774574 754267089 /nfs/dbraw/zinc/26/70/89/754267089.db2.gz UKAFTERJTGEOEM-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001128774574 754267091 /nfs/dbraw/zinc/26/70/91/754267091.db2.gz UKAFTERJTGEOEM-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001128786834 754288644 /nfs/dbraw/zinc/28/86/44/754288644.db2.gz WOUICKFKZZTXKH-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001128786834 754288646 /nfs/dbraw/zinc/28/86/46/754288646.db2.gz WOUICKFKZZTXKH-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(C)C ZINC001168756143 754433664 /nfs/dbraw/zinc/43/36/64/754433664.db2.gz VPVMNBUUIPQHLM-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CN1CCN(CCC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC001143238182 754511113 /nfs/dbraw/zinc/51/11/13/754511113.db2.gz GOTXKWPJGYMFRK-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047984004 754563161 /nfs/dbraw/zinc/56/31/61/754563161.db2.gz PRNWEVZJDAOGQS-OLZOCXBDSA-N 1 3 316.409 0.713 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3C2)CCC1 ZINC001048860123 754983382 /nfs/dbraw/zinc/98/33/82/754983382.db2.gz HVZORWNOIDXFGW-HRCADAONSA-N 1 3 321.465 0.897 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3C2)CCC1 ZINC001048860123 754983385 /nfs/dbraw/zinc/98/33/85/754983385.db2.gz HVZORWNOIDXFGW-HRCADAONSA-N 1 3 321.465 0.897 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863568 754985165 /nfs/dbraw/zinc/98/51/65/754985165.db2.gz HJAOFNSRGGDKOH-OJLVUWQFSA-N 1 3 309.454 0.752 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863568 754985170 /nfs/dbraw/zinc/98/51/70/754985170.db2.gz HJAOFNSRGGDKOH-OJLVUWQFSA-N 1 3 309.454 0.752 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944348 755032013 /nfs/dbraw/zinc/03/20/13/755032013.db2.gz UQNWSQBXWORDHN-OWQJAQGESA-N 1 3 319.449 0.650 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944348 755032017 /nfs/dbraw/zinc/03/20/17/755032017.db2.gz UQNWSQBXWORDHN-OWQJAQGESA-N 1 3 319.449 0.650 20 0 DCADHO COCC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131081 755137073 /nfs/dbraw/zinc/13/70/73/755137073.db2.gz FGRWSBCDDSJDCQ-IYBDPMFKSA-N 1 3 309.454 0.755 20 0 DCADHO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131081 755137075 /nfs/dbraw/zinc/13/70/75/755137075.db2.gz FGRWSBCDDSJDCQ-IYBDPMFKSA-N 1 3 309.454 0.755 20 0 DCADHO Cn1cc(CN2C[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@@H]3C2)cn1 ZINC001049213404 755184166 /nfs/dbraw/zinc/18/41/66/755184166.db2.gz OUWHHCRJQBWCBT-HRCADAONSA-N 1 3 317.437 0.262 20 0 DCADHO Cn1cc(CN2C[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cn1 ZINC001049213404 755184169 /nfs/dbraw/zinc/18/41/69/755184169.db2.gz OUWHHCRJQBWCBT-HRCADAONSA-N 1 3 317.437 0.262 20 0 DCADHO O=C(N1CCC[C@@H]2[C@H]1CCN2CCO)C12CCC[NH+]1CCC2 ZINC001049569257 755318489 /nfs/dbraw/zinc/31/84/89/755318489.db2.gz XVGUOKIFHSKHAH-HUUCEWRRSA-N 1 3 307.438 0.672 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072289820 762429006 /nfs/dbraw/zinc/42/90/06/762429006.db2.gz GCYHNMKOCDOHJD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054736148 756620998 /nfs/dbraw/zinc/62/09/98/756620998.db2.gz JBTXZCYOZDIGBH-CJNGLKHVSA-N 1 3 319.453 0.841 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653450 757214999 /nfs/dbraw/zinc/21/49/99/757214999.db2.gz LADQGSIMURIQJI-RJZXRHAOSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653480 757215664 /nfs/dbraw/zinc/21/56/64/757215664.db2.gz MPUSDCSVNGNCHL-QVCPJDEESA-N 1 3 307.438 0.695 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1cncn1C ZINC001082740758 757251229 /nfs/dbraw/zinc/25/12/29/757251229.db2.gz FOHOLFQXDXHJGN-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001082742715 757254417 /nfs/dbraw/zinc/25/44/17/757254417.db2.gz PJJSDPJORKPKDN-BZUAXINKSA-N 1 3 319.453 0.661 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082783435 757264287 /nfs/dbraw/zinc/26/42/87/757264287.db2.gz YGEMVMMFEQMKGI-MGPQQGTHSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082783435 757264293 /nfs/dbraw/zinc/26/42/93/757264293.db2.gz YGEMVMMFEQMKGI-MGPQQGTHSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001082862010 757304464 /nfs/dbraw/zinc/30/44/64/757304464.db2.gz VOONADOHPOMNNY-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001082862010 757304506 /nfs/dbraw/zinc/30/45/06/757304506.db2.gz VOONADOHPOMNNY-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO COC[C@H](C)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630496 757935736 /nfs/dbraw/zinc/93/57/36/757935736.db2.gz ITZRMTHVKQOHCQ-NUEKZKHPSA-N 1 3 309.454 0.896 20 0 DCADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCn1cncn1 ZINC001098401717 762666080 /nfs/dbraw/zinc/66/60/80/762666080.db2.gz LNPMLJIIPQQOPO-KFWWJZLASA-N 1 3 318.425 0.095 20 0 DCADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001098401717 762666083 /nfs/dbraw/zinc/66/60/83/762666083.db2.gz LNPMLJIIPQQOPO-KFWWJZLASA-N 1 3 318.425 0.095 20 0 DCADHO O=C(CN1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001098401717 762666084 /nfs/dbraw/zinc/66/60/84/762666084.db2.gz LNPMLJIIPQQOPO-KFWWJZLASA-N 1 3 318.425 0.095 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001051832746 758976749 /nfs/dbraw/zinc/97/67/49/758976749.db2.gz YBJQNMAQYQRSKI-CABCVRRESA-N 1 3 323.441 0.077 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@H]1O ZINC001099985578 759087757 /nfs/dbraw/zinc/08/77/57/759087757.db2.gz DUNZXHFHMYWXHP-IAGOWNOFSA-N 1 3 319.449 0.732 20 0 DCADHO COc1ccc(C)cc1CNCCNC(=O)COCC[NH+](C)C ZINC001147892603 767864107 /nfs/dbraw/zinc/86/41/07/767864107.db2.gz KPDYGIMHRYRSQK-UHFFFAOYSA-N 1 3 323.437 0.788 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001086102144 759716059 /nfs/dbraw/zinc/71/60/59/759716059.db2.gz LGMSWBVOEMAHGW-BARDWOONSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001086102147 759716168 /nfs/dbraw/zinc/71/61/68/759716168.db2.gz LGMSWBVOEMAHGW-XGUBFFRZSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970595 767889504 /nfs/dbraw/zinc/88/95/04/767889504.db2.gz MHVBDBRYONMNBO-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOCC)C[C@@H]1O ZINC001100084265 760189533 /nfs/dbraw/zinc/18/95/33/760189533.db2.gz ZHKYOPMOQWOXNG-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOCC)C[C@@H]1O ZINC001100084265 760189537 /nfs/dbraw/zinc/18/95/37/760189537.db2.gz ZHKYOPMOQWOXNG-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCn1cncn1 ZINC001155900534 760243978 /nfs/dbraw/zinc/24/39/78/760243978.db2.gz XILRDRAEMHXUKO-CQSZACIVSA-N 1 3 310.446 0.447 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCn1cncn1 ZINC001155900534 760243986 /nfs/dbraw/zinc/24/39/86/760243986.db2.gz XILRDRAEMHXUKO-CQSZACIVSA-N 1 3 310.446 0.447 20 0 DCADHO CN(C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CC1)S(C)(=O)=O ZINC001169146071 760596458 /nfs/dbraw/zinc/59/64/58/760596458.db2.gz OIWGIKKDHCOOEB-FICVDOATSA-N 1 3 315.483 0.967 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCN(CCCC[NH3+])CC2)CO1 ZINC001169373066 760658265 /nfs/dbraw/zinc/65/82/65/760658265.db2.gz NWVYYWSOUNAUMD-GJZGRUSLSA-N 1 3 313.442 0.454 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129340096 760760690 /nfs/dbraw/zinc/76/06/90/760760690.db2.gz KPTHTXDTUBWPHQ-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129340096 760760697 /nfs/dbraw/zinc/76/06/97/760760697.db2.gz KPTHTXDTUBWPHQ-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)CCC1 ZINC001129362614 761039571 /nfs/dbraw/zinc/03/95/71/761039571.db2.gz ASFHVCYFOGGXQP-CQSZACIVSA-N 1 3 313.442 0.372 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070208868 761136886 /nfs/dbraw/zinc/13/68/86/761136886.db2.gz AXERNLKLTZJTTM-CABCVRRESA-N 1 3 320.441 0.514 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N(CC)CC ZINC001148571100 768016473 /nfs/dbraw/zinc/01/64/73/768016473.db2.gz WFKHFRMUZHPGOW-UHFFFAOYSA-N 1 3 300.447 0.293 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N(CC)CC ZINC001148571100 768016478 /nfs/dbraw/zinc/01/64/78/768016478.db2.gz WFKHFRMUZHPGOW-UHFFFAOYSA-N 1 3 300.447 0.293 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C ZINC001148577786 768019413 /nfs/dbraw/zinc/01/94/13/768019413.db2.gz CXNYRKKPNACPJQ-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C ZINC001148577786 768019416 /nfs/dbraw/zinc/01/94/16/768019416.db2.gz CXNYRKKPNACPJQ-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CCCNC(=O)CNCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129416783 762932022 /nfs/dbraw/zinc/93/20/22/762932022.db2.gz JTNZQVKDWLDRMQ-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)CNCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129416783 762932028 /nfs/dbraw/zinc/93/20/28/762932028.db2.gz JTNZQVKDWLDRMQ-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001129422310 762934180 /nfs/dbraw/zinc/93/41/80/762934180.db2.gz HGSULCMXXDBMBC-KBPBESRZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001129422310 762934183 /nfs/dbraw/zinc/93/41/83/762934183.db2.gz HGSULCMXXDBMBC-KBPBESRZSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC001129454258 762939338 /nfs/dbraw/zinc/93/93/38/762939338.db2.gz ISQXXEQGFSRWMO-HOTGVXAUSA-N 1 3 323.412 0.905 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)cn1 ZINC001129444067 762944958 /nfs/dbraw/zinc/94/49/58/762944958.db2.gz PPKMWQQSAVAWET-OAHLLOKOSA-N 1 3 307.442 0.492 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)C1CCCCC1)C1CC1 ZINC001129443091 762945060 /nfs/dbraw/zinc/94/50/60/762945060.db2.gz HWVLUZLCDPSIED-HZPDHXFCSA-N 1 3 311.470 0.974 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN(C)C2CCC2)n1 ZINC001129531722 762953531 /nfs/dbraw/zinc/95/35/31/762953531.db2.gz HOLGULHVXLSKDA-UHFFFAOYSA-N 1 3 308.430 0.085 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCOC[C@H]1CCCO1)C1CCC1 ZINC001129535300 762961148 /nfs/dbraw/zinc/96/11/48/762961148.db2.gz NSIIXOGOWYBIQG-OAHLLOKOSA-N 1 3 313.442 0.372 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129855076 763024935 /nfs/dbraw/zinc/02/49/35/763024935.db2.gz CCEKSZIRXRQSQW-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129855076 763024937 /nfs/dbraw/zinc/02/49/37/763024937.db2.gz CCEKSZIRXRQSQW-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173528 763162935 /nfs/dbraw/zinc/16/29/35/763162935.db2.gz HZYLSKYXDPXFON-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O)N(C)C ZINC001130203389 763176464 /nfs/dbraw/zinc/17/64/64/763176464.db2.gz JPYJIKIULYJXCV-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001130426815 763298122 /nfs/dbraw/zinc/29/81/22/763298122.db2.gz CONPSBQVWHIQFA-LBPRGKRZSA-N 1 3 321.487 0.103 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001130421893 763295146 /nfs/dbraw/zinc/29/51/46/763295146.db2.gz NPDPNOAXSVZNCR-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001130421893 763295154 /nfs/dbraw/zinc/29/51/54/763295154.db2.gz NPDPNOAXSVZNCR-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972171 770264357 /nfs/dbraw/zinc/26/43/57/770264357.db2.gz PIRVVPLNBJDMNN-CYBMUJFWSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001130713059 763451346 /nfs/dbraw/zinc/45/13/46/763451346.db2.gz AMJIMZDZRDZCTK-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001130713059 763451348 /nfs/dbraw/zinc/45/13/48/763451348.db2.gz AMJIMZDZRDZCTK-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131130171 763662332 /nfs/dbraw/zinc/66/23/32/763662332.db2.gz BZGBHOQHDHGLRN-ZIAGYGMSSA-N 1 3 307.442 0.664 20 0 DCADHO Cn1nccc1CNC1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619994 763686217 /nfs/dbraw/zinc/68/62/17/763686217.db2.gz ROBPIMDADUWYAF-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)CC)C1 ZINC001100900128 763846858 /nfs/dbraw/zinc/84/68/58/763846858.db2.gz RSDISMONIFXHAH-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2cncn2C)C1 ZINC001101039476 763932738 /nfs/dbraw/zinc/93/27/38/763932738.db2.gz NJSYAYOARQCORR-UHFFFAOYSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790427 764014241 /nfs/dbraw/zinc/01/42/41/764014241.db2.gz NKOXBJDVPKUOJZ-BBRMVZONSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790220 764014813 /nfs/dbraw/zinc/01/48/13/764014813.db2.gz IXQOLVRDYNOPLY-MRXNPFEDSA-N 1 3 319.453 0.809 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cn1 ZINC001131786535 764033087 /nfs/dbraw/zinc/03/30/87/764033087.db2.gz WBUPYNCCGKDXPF-OAHLLOKOSA-N 1 3 305.426 0.500 20 0 DCADHO CCNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799571 764035581 /nfs/dbraw/zinc/03/55/81/764035581.db2.gz SAWOXOSVFGWXAS-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN[C@H]2CCCNC2=O)CCCCC1 ZINC001131799806 764036518 /nfs/dbraw/zinc/03/65/18/764036518.db2.gz WGLQEKBTYWBSIK-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)NC1CC1 ZINC001131845196 764062781 /nfs/dbraw/zinc/06/27/81/764062781.db2.gz TVUXOBXPDRPYIP-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290541 764579503 /nfs/dbraw/zinc/57/95/03/764579503.db2.gz JAAAPVQMMINWMI-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001132736835 764613009 /nfs/dbraw/zinc/61/30/09/764613009.db2.gz DHWSZNSUZBZHEA-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001132736835 764613016 /nfs/dbraw/zinc/61/30/16/764613016.db2.gz DHWSZNSUZBZHEA-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886302 764707963 /nfs/dbraw/zinc/70/79/63/764707963.db2.gz IUZQGCPZFMBFKO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886302 764707973 /nfs/dbraw/zinc/70/79/73/764707973.db2.gz IUZQGCPZFMBFKO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NCC(C)(C)C)CC1 ZINC001132995411 764784019 /nfs/dbraw/zinc/78/40/19/764784019.db2.gz RSTIPYZLHXMZAD-UHFFFAOYSA-N 1 3 312.458 0.196 20 0 DCADHO CNC(=O)c1ccc(CNCCNC(=O)CCC[NH+](C)C)cc1 ZINC001133040132 764797597 /nfs/dbraw/zinc/79/75/97/764797597.db2.gz CEMPXGONXVRACJ-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135272 764839538 /nfs/dbraw/zinc/83/95/38/764839538.db2.gz OKQQULPHMAHHDR-STQMWFEESA-N 1 3 321.425 0.163 20 0 DCADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NCc1ccccc1 ZINC001133290794 764909182 /nfs/dbraw/zinc/90/91/82/764909182.db2.gz CJNYFAWKBNBCGP-AWEZNQCLSA-N 1 3 320.437 0.349 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)N(C)C(C)C)[NH+](C)C ZINC001133416045 764957298 /nfs/dbraw/zinc/95/72/98/764957298.db2.gz ZYIVEDZUDRVVLD-CQSZACIVSA-N 1 3 300.447 0.145 20 0 DCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103397095 765047468 /nfs/dbraw/zinc/04/74/68/765047468.db2.gz ZOFCTMIZJNZEBS-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684157 765083136 /nfs/dbraw/zinc/08/31/36/765083136.db2.gz DTFDDEBTGBVJKZ-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)N(C)C1CC1)[NH+](CC)CC ZINC001133685637 765093109 /nfs/dbraw/zinc/09/31/09/765093109.db2.gz YIPPNSHWJARGRF-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103757283 765120409 /nfs/dbraw/zinc/12/04/09/765120409.db2.gz UKAIQOUGKMBFPH-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103757283 765120415 /nfs/dbraw/zinc/12/04/15/765120415.db2.gz UKAIQOUGKMBFPH-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001133850592 765170954 /nfs/dbraw/zinc/17/09/54/765170954.db2.gz NVXMBIOYGLIHMH-CABCVRRESA-N 1 3 313.442 0.230 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001133853626 765171731 /nfs/dbraw/zinc/17/17/31/765171731.db2.gz MRLDYNLNSJSXRX-CYBMUJFWSA-N 1 3 318.421 0.333 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCC[C@H]2C)C1 ZINC001133853973 765173681 /nfs/dbraw/zinc/17/36/81/765173681.db2.gz VACRJSRWLMCXEV-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCC[C@H]2C)C1 ZINC001133853973 765173684 /nfs/dbraw/zinc/17/36/84/765173684.db2.gz VACRJSRWLMCXEV-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001133845287 765178713 /nfs/dbraw/zinc/17/87/13/765178713.db2.gz ALTSCWLRCQAWFE-WDEREUQCSA-N 1 3 311.348 0.347 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845879 765179629 /nfs/dbraw/zinc/17/96/29/765179629.db2.gz PGROINARPUQWLS-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845879 765179635 /nfs/dbraw/zinc/17/96/35/765179635.db2.gz PGROINARPUQWLS-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CN(CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)CC(C)(C)C ZINC001133905990 765219352 /nfs/dbraw/zinc/21/93/52/765219352.db2.gz LVVUEMFTKFQKOV-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112197335 765472793 /nfs/dbraw/zinc/47/27/93/765472793.db2.gz LXFUTRFGQCPDJU-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)C1(N(C)C)CCC1 ZINC001134584174 765580996 /nfs/dbraw/zinc/58/09/96/765580996.db2.gz RHXFNQGCJZJXKO-UONOGXRCSA-N 1 3 322.457 0.635 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001134762975 765658153 /nfs/dbraw/zinc/65/81/53/765658153.db2.gz JIXXMPHFYKZMFI-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001134762975 765658159 /nfs/dbraw/zinc/65/81/59/765658159.db2.gz JIXXMPHFYKZMFI-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866404 768316371 /nfs/dbraw/zinc/31/63/71/768316371.db2.gz BRONLKOSJZKEMI-GXTWGEPZSA-N 1 3 312.458 0.480 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095760 765795938 /nfs/dbraw/zinc/79/59/38/765795938.db2.gz PYRNXSDXTMZAFW-HZPDHXFCSA-N 1 3 319.453 0.951 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095760 765795940 /nfs/dbraw/zinc/79/59/40/765795940.db2.gz PYRNXSDXTMZAFW-HZPDHXFCSA-N 1 3 319.453 0.951 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001135513322 765967395 /nfs/dbraw/zinc/96/73/95/765967395.db2.gz MNHGAXFYDNERAO-CQSZACIVSA-N 1 3 303.447 0.068 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001135513311 765967451 /nfs/dbraw/zinc/96/74/51/765967451.db2.gz MEJUIYQVOUCRPP-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CN(Cc1cnc(Cl)s1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001157853710 771680947 /nfs/dbraw/zinc/68/09/47/771680947.db2.gz LWQPHYRCUHYINE-QMMMGPOBSA-N 1 3 308.860 0.774 20 0 DCADHO CON(C)C(=O)[C@H]1CCc2cc(N[C@H](N)CCC[NH3+])ccc2O1 ZINC001170903454 766252085 /nfs/dbraw/zinc/25/20/85/766252085.db2.gz JYLIENOCEGFMNH-CABCVRRESA-N 1 3 322.409 0.836 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001120189079 766927137 /nfs/dbraw/zinc/92/71/37/766927137.db2.gz GTUVQWANGCEQFT-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO C[NH+](C)CCOCC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001171206063 767005833 /nfs/dbraw/zinc/00/58/33/767005833.db2.gz YZIQYTIXLQMYJM-UHFFFAOYSA-N 1 3 323.441 0.003 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC2CC([NH2+]CC(N)=O)C2)c1 ZINC001091375970 767251292 /nfs/dbraw/zinc/25/12/92/767251292.db2.gz DYUMQKAIJIFKRQ-UHFFFAOYSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001171253943 767298393 /nfs/dbraw/zinc/29/83/93/767298393.db2.gz NTEGUHVWQCGXRK-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)CC)N(C)C ZINC001160882907 767374575 /nfs/dbraw/zinc/37/45/75/767374575.db2.gz ATIMHJCKIXCGFX-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@H]([NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1)C(N)=O ZINC001121245072 767480359 /nfs/dbraw/zinc/48/03/59/767480359.db2.gz DCSVIFQBUUVJHS-TUQWWMRXSA-N 1 3 322.453 0.217 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(C1CC1)C1CC1 ZINC001146718424 767511026 /nfs/dbraw/zinc/51/10/26/767511026.db2.gz AQGSBZUSQDHZPE-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(C1CC1)C1CC1 ZINC001146718424 767511033 /nfs/dbraw/zinc/51/10/33/767511033.db2.gz AQGSBZUSQDHZPE-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH2+]C1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC1 ZINC001121996918 767692705 /nfs/dbraw/zinc/69/27/05/767692705.db2.gz NYPRDVJCXGBXGY-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)N(C)C)C2 ZINC001122107006 767716445 /nfs/dbraw/zinc/71/64/45/767716445.db2.gz WLKGZCJJTYLKBC-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO COCC[NH2+]C1CC2(CC(NC(=O)Cc3nc[nH]c3C)C2)C1 ZINC001122118489 767717934 /nfs/dbraw/zinc/71/79/34/767717934.db2.gz MKRRTXDRCTXGDT-UHFFFAOYSA-N 1 3 306.410 0.924 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCNCC(=O)N(C)C ZINC001147449029 767756244 /nfs/dbraw/zinc/75/62/44/767756244.db2.gz FPFGJQZYWZGIBF-UHFFFAOYSA-N 1 3 314.474 0.683 20 0 DCADHO CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092837817 768401355 /nfs/dbraw/zinc/40/13/55/768401355.db2.gz IAWJXXOSXDBCOK-RJZXRHAOSA-N 1 3 307.438 0.554 20 0 DCADHO CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092837817 768401358 /nfs/dbraw/zinc/40/13/58/768401358.db2.gz IAWJXXOSXDBCOK-RJZXRHAOSA-N 1 3 307.438 0.554 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001161226822 768698917 /nfs/dbraw/zinc/69/89/17/768698917.db2.gz PXIAGBAZNNYAPD-GFCCVEGCSA-N 1 3 300.447 0.289 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149841898 768878183 /nfs/dbraw/zinc/87/81/83/768878183.db2.gz LZRASTUXGAQWEO-HUUCEWRRSA-N 1 3 313.442 0.180 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CC2)CCCO1)C1CC1 ZINC001149847337 768882122 /nfs/dbraw/zinc/88/21/22/768882122.db2.gz DAMWOSGQPUMRFI-CVEARBPZSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCCO1)C1CC1 ZINC001149847337 768882135 /nfs/dbraw/zinc/88/21/35/768882135.db2.gz DAMWOSGQPUMRFI-CVEARBPZSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606819 769137424 /nfs/dbraw/zinc/13/74/24/769137424.db2.gz LIMUMUYDFLIHCG-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+]([C@H](C)COC)CCCO1 ZINC001150626783 769144969 /nfs/dbraw/zinc/14/49/69/769144969.db2.gz YWDJAOVFADCBEA-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+]([C@H](C)COC)CCCO1 ZINC001150626783 769144974 /nfs/dbraw/zinc/14/49/74/769144974.db2.gz YWDJAOVFADCBEA-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065509 769250639 /nfs/dbraw/zinc/25/06/39/769250639.db2.gz KMVROOHSGRXDTA-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065509 769250648 /nfs/dbraw/zinc/25/06/48/769250648.db2.gz KMVROOHSGRXDTA-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO COCC[NH+](CCOC)Cc1ccc(N2CCN(C)CC2)nc1 ZINC001232360906 769310232 /nfs/dbraw/zinc/31/02/32/769310232.db2.gz PIPGTTCHZYCNFG-UHFFFAOYSA-N 1 3 322.453 0.928 20 0 DCADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)N1CCOCC1)C2 ZINC001172104861 769435040 /nfs/dbraw/zinc/43/50/40/769435040.db2.gz GKFXKSUNTDUEPU-QDMKHBRRSA-N 1 3 310.442 0.633 20 0 DCADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCNC(=O)N1CCOCC1)C2 ZINC001172104861 769435044 /nfs/dbraw/zinc/43/50/44/769435044.db2.gz GKFXKSUNTDUEPU-QDMKHBRRSA-N 1 3 310.442 0.633 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152149184 769491980 /nfs/dbraw/zinc/49/19/80/769491980.db2.gz WDPYRTAKWXACHV-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152236844 769513372 /nfs/dbraw/zinc/51/33/72/769513372.db2.gz GHRQUYAXOBOATN-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H](NCCNC(=O)CC[NH+]1CCCCC1)C(=O)NC1CC1 ZINC001152349129 769533034 /nfs/dbraw/zinc/53/30/34/769533034.db2.gz UQOQKTNIZJPMNO-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001152459005 769565721 /nfs/dbraw/zinc/56/57/21/769565721.db2.gz WOWKVQIQWWRWGG-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173736666 769705735 /nfs/dbraw/zinc/70/57/35/769705735.db2.gz GKEKHWUZFMFIFS-CVEARBPZSA-N 1 3 321.473 0.772 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235020457 769743489 /nfs/dbraw/zinc/74/34/89/769743489.db2.gz DCYQYKXEUFICPK-INIZCTEOSA-N 1 3 322.478 0.991 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCCCO)CC2 ZINC001235490810 769858063 /nfs/dbraw/zinc/85/80/63/769858063.db2.gz ZBXMOSONTCIVLA-UHFFFAOYSA-N 1 3 307.438 0.583 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCCCO)CC2 ZINC001235490810 769858077 /nfs/dbraw/zinc/85/80/77/769858077.db2.gz ZBXMOSONTCIVLA-UHFFFAOYSA-N 1 3 307.438 0.583 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCF)CCCO1 ZINC001150478989 769867788 /nfs/dbraw/zinc/86/77/88/769867788.db2.gz CEKPBGRQFYPMJZ-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1 ZINC001150478989 769867802 /nfs/dbraw/zinc/86/78/02/769867802.db2.gz CEKPBGRQFYPMJZ-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO NCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccsc3)[C@H]2C1 ZINC001235571349 769897753 /nfs/dbraw/zinc/89/77/53/769897753.db2.gz WETWNHUAYONGHN-FPMFFAJLSA-N 1 3 309.435 0.774 20 0 DCADHO NCC[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccsc3)[C@H]2C1 ZINC001235571349 769897768 /nfs/dbraw/zinc/89/77/68/769897768.db2.gz WETWNHUAYONGHN-FPMFFAJLSA-N 1 3 309.435 0.774 20 0 DCADHO C[C@@H]([NH3+])CN1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001235610995 769907077 /nfs/dbraw/zinc/90/70/77/769907077.db2.gz KGDMWOSMIMCMFK-DJIMGWMZSA-N 1 3 304.438 0.952 20 0 DCADHO C[C@@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cccn3C)[C@H]2C1 ZINC001235630383 769918688 /nfs/dbraw/zinc/91/86/88/769918688.db2.gz PCECMZOJEAGUKM-ORIJERBGSA-N 1 3 320.437 0.439 20 0 DCADHO C[C@@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cccn3C)[C@H]2C1 ZINC001235630383 769918689 /nfs/dbraw/zinc/91/86/89/769918689.db2.gz PCECMZOJEAGUKM-ORIJERBGSA-N 1 3 320.437 0.439 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001176022537 770003669 /nfs/dbraw/zinc/00/36/69/770003669.db2.gz BKUXCJDQIUEHNV-AWEZNQCLSA-N 1 3 324.473 0.922 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1cn(C)nn1 ZINC001176022537 770003681 /nfs/dbraw/zinc/00/36/81/770003681.db2.gz BKUXCJDQIUEHNV-AWEZNQCLSA-N 1 3 324.473 0.922 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCc2cc3n(n2)CCCC3)C1 ZINC001176058661 770026687 /nfs/dbraw/zinc/02/66/87/770026687.db2.gz ZPMKPYIEBHCQLT-AWEZNQCLSA-N 1 3 319.453 0.767 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCCNCc2cc3n(n2)CCCC3)C1 ZINC001176058661 770026698 /nfs/dbraw/zinc/02/66/98/770026698.db2.gz ZPMKPYIEBHCQLT-AWEZNQCLSA-N 1 3 319.453 0.767 20 0 DCADHO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)CN2CCCC2)no1 ZINC001176102805 770034760 /nfs/dbraw/zinc/03/47/60/770034760.db2.gz MCEVGRSYTUVCLV-UHFFFAOYSA-N 1 3 323.397 0.113 20 0 DCADHO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCNCc1ncccn1 ZINC001176168941 770041279 /nfs/dbraw/zinc/04/12/79/770041279.db2.gz HFPSKCTXELMWQM-CQSZACIVSA-N 1 3 321.425 0.041 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)Nc1cnc2c(c1)CNCC2 ZINC001237475610 770046382 /nfs/dbraw/zinc/04/63/82/770046382.db2.gz IABSVABMVXGTLQ-UHFFFAOYSA-N 1 3 310.423 0.469 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150554556 770057508 /nfs/dbraw/zinc/05/75/08/770057508.db2.gz UPMAVXWKKCITOP-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150554556 770057521 /nfs/dbraw/zinc/05/75/21/770057521.db2.gz UPMAVXWKKCITOP-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO NCCS(=O)(=O)NC1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001238826013 770133034 /nfs/dbraw/zinc/13/30/34/770133034.db2.gz RJCIKZRBOHBGAS-UHFFFAOYSA-N 1 3 315.414 0.369 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001238879889 770141307 /nfs/dbraw/zinc/14/13/07/770141307.db2.gz XYILGNQCAXDSMO-UHFFFAOYSA-N 1 3 311.411 0.170 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc(Cl)nc1 ZINC001238880035 770141581 /nfs/dbraw/zinc/14/15/81/770141581.db2.gz ZWAPXCPWKLWHGP-UHFFFAOYSA-N 1 3 306.819 0.342 20 0 DCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)Cc2c[nH]cn2)C1 ZINC001176829733 770180421 /nfs/dbraw/zinc/18/04/21/770180421.db2.gz YWMLXRCCRRWZLI-GFCCVEGCSA-N 1 3 302.382 0.369 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CCOCCO ZINC001176947992 770249786 /nfs/dbraw/zinc/24/97/86/770249786.db2.gz BMQHTQORIBJCJU-UHFFFAOYSA-N 1 3 323.437 0.467 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176986361 770273618 /nfs/dbraw/zinc/27/36/18/770273618.db2.gz LUVQFNGPAOJZBX-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001176986825 770273705 /nfs/dbraw/zinc/27/37/05/770273705.db2.gz WWCBERJJAFQVEG-OAHLLOKOSA-N 1 3 307.442 0.890 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCc1ccnn1C ZINC001176986266 770274363 /nfs/dbraw/zinc/27/43/63/770274363.db2.gz JBTCQGRLKCOZFI-MRXNPFEDSA-N 1 3 321.469 0.933 20 0 DCADHO CN1CCO[C@H](CNc2cccc(N3CCC([NH3+])CC3)n2)C1 ZINC001155197746 770426640 /nfs/dbraw/zinc/42/66/40/770426640.db2.gz RNKSJRJULJBACZ-CQSZACIVSA-N 1 3 305.426 0.752 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC(=O)N(C)C)CC1 ZINC001206654438 770446797 /nfs/dbraw/zinc/44/67/97/770446797.db2.gz XTFIUGBSPAZTAZ-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO COc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)n1 ZINC001155790945 770618625 /nfs/dbraw/zinc/61/86/25/770618625.db2.gz POWKXLSUDXSAGQ-CQSZACIVSA-N 1 3 306.410 0.780 20 0 DCADHO Cn1nc(Br)cc1CNCCOCC[NH+](C)C ZINC000691597139 770710970 /nfs/dbraw/zinc/71/09/70/770710970.db2.gz MVIPLHOSUQISBC-UHFFFAOYSA-N 1 3 305.220 0.850 20 0 DCADHO CNc1nc2cc(C(=O)N(CCCC[NH3+])C(=N)N)ccc2[nH]1 ZINC001156284220 770773393 /nfs/dbraw/zinc/77/33/93/770773393.db2.gz LFWJKQUKVSYTNS-UHFFFAOYSA-N 1 3 303.370 0.679 20 0 DCADHO C[C@H]([NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001178693011 770837077 /nfs/dbraw/zinc/83/70/77/770837077.db2.gz HJGCPYBIRMSELK-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+]C[C@H](O)COC)N(C)C ZINC001178815581 770885103 /nfs/dbraw/zinc/88/51/03/770885103.db2.gz FCTGJUWBOBIQSG-LSDHHAIUSA-N 1 3 317.474 0.600 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN(C)C1CCC1 ZINC001178902260 770898548 /nfs/dbraw/zinc/89/85/48/770898548.db2.gz HNKCTTSGLRWUGP-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179856451 771025453 /nfs/dbraw/zinc/02/54/53/771025453.db2.gz AOQLCDVZSSXNGA-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179856451 771025459 /nfs/dbraw/zinc/02/54/59/771025459.db2.gz AOQLCDVZSSXNGA-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001179857154 771026899 /nfs/dbraw/zinc/02/68/99/771026899.db2.gz VSGBFZGKSAPFQB-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001179857154 771026905 /nfs/dbraw/zinc/02/69/05/771026905.db2.gz VSGBFZGKSAPFQB-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)[C@@H]1C ZINC001179979376 771042195 /nfs/dbraw/zinc/04/21/95/771042195.db2.gz UYITWCGRUVYQDW-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)[C@@H]1C ZINC001179979376 771042198 /nfs/dbraw/zinc/04/21/98/771042198.db2.gz UYITWCGRUVYQDW-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)[C@@H]1C ZINC001180226582 771077081 /nfs/dbraw/zinc/07/70/81/771077081.db2.gz BKNSZMKMAIFHQS-IHRRRGAJSA-N 1 3 310.442 0.184 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](C)N2CCCC2)CC1 ZINC001180584633 771143955 /nfs/dbraw/zinc/14/39/55/771143955.db2.gz HQVOSSUSXLPRHE-ZDUSSCGKSA-N 1 3 311.426 0.744 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001181675349 771330291 /nfs/dbraw/zinc/33/02/91/771330291.db2.gz XNMRDENJTORYDM-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181728320 771336172 /nfs/dbraw/zinc/33/61/72/771336172.db2.gz LQMMMSHFWLFRHY-CZUORRHYSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1c[nH+]ccc1N1CCN(C(=O)C2(O)CCN(C)CC2)CC1 ZINC001182033072 771390991 /nfs/dbraw/zinc/39/09/91/771390991.db2.gz KXGFYQDLUJOYQL-UHFFFAOYSA-N 1 3 318.421 0.495 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001182638202 771519703 /nfs/dbraw/zinc/51/97/03/771519703.db2.gz ZFEHYQWKGMMZLT-LMOYCYGVSA-N 1 3 312.458 0.275 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240444 771627731 /nfs/dbraw/zinc/62/77/31/771627731.db2.gz FVHMFSNNFKZGCJ-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO N[C@H]1CN(C(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C[C@H]1F ZINC001157555836 771631643 /nfs/dbraw/zinc/63/16/43/771631643.db2.gz OGSRTBTYAYCDFY-KFWWJZLASA-N 1 3 307.369 0.374 20 0 DCADHO N[C@H]1CN(C(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@H]1F ZINC001157555836 771631648 /nfs/dbraw/zinc/63/16/48/771631648.db2.gz OGSRTBTYAYCDFY-KFWWJZLASA-N 1 3 307.369 0.374 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157715529 771657751 /nfs/dbraw/zinc/65/77/51/771657751.db2.gz FUBOZPWTISGGKD-CVEARBPZSA-N 1 3 321.421 0.238 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576763 771670167 /nfs/dbraw/zinc/67/01/67/771670167.db2.gz SBHGJLWCYKQEMH-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001183581520 771670805 /nfs/dbraw/zinc/67/08/05/771670805.db2.gz LXHBAEXUQWUWBK-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183648664 771675859 /nfs/dbraw/zinc/67/58/59/771675859.db2.gz XYEKHECHBVPDDA-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1cc(N2CCN(C(=O)[C@@H](N)CN)CC2)c2ccccc2[nH+]1 ZINC001157873140 771684308 /nfs/dbraw/zinc/68/43/08/771684308.db2.gz AQKXBPCCHRZHMP-AWEZNQCLSA-N 1 3 313.405 0.478 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCNCc1ccn(C)n1 ZINC001157887714 771687042 /nfs/dbraw/zinc/68/70/42/771687042.db2.gz XPQPPKGTFIOCNO-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCNCc1ccn(C)n1 ZINC001157887714 771687044 /nfs/dbraw/zinc/68/70/44/771687044.db2.gz XPQPPKGTFIOCNO-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001157891264 771687717 /nfs/dbraw/zinc/68/77/17/771687717.db2.gz WGEFZDUUNUUMLP-WPRPVWTQSA-N 1 3 317.352 0.756 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001158196018 771738239 /nfs/dbraw/zinc/73/82/39/771738239.db2.gz HUXOMXHXPHZBLE-HNNXBMFYSA-N 1 3 305.426 0.358 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]CCCO ZINC001184566081 771799645 /nfs/dbraw/zinc/79/96/45/771799645.db2.gz OBGDIDLIVIOTKM-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184577846 771801575 /nfs/dbraw/zinc/80/15/75/771801575.db2.gz PJNPMHYOSFEUKS-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001185085140 771858645 /nfs/dbraw/zinc/85/86/45/771858645.db2.gz LXZXFHPSIKLXRT-TZMCWYRMSA-N 1 3 322.457 0.639 20 0 DCADHO COCc1n[nH]c2c1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C2 ZINC001159090235 771859048 /nfs/dbraw/zinc/85/90/48/771859048.db2.gz AZFQMSQKHOLKHR-ZDUSSCGKSA-N 1 3 323.441 0.894 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185221226 771880622 /nfs/dbraw/zinc/88/06/22/771880622.db2.gz IZZKRSBQGJXAMR-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001185230599 771882250 /nfs/dbraw/zinc/88/22/50/771882250.db2.gz WJWSDHCTLNASSN-OAHLLOKOSA-N 1 3 317.437 0.817 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249067 771888198 /nfs/dbraw/zinc/88/81/98/771888198.db2.gz MTALMOCWHFSANE-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159623046 771935499 /nfs/dbraw/zinc/93/54/99/771935499.db2.gz BKOHZSWSUQCPRZ-OFQRWUPVSA-N 1 3 313.442 0.487 20 0 DCADHO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159623047 771935707 /nfs/dbraw/zinc/93/57/07/771935707.db2.gz BKOHZSWSUQCPRZ-SQWLQELKSA-N 1 3 313.442 0.487 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001185705522 771945399 /nfs/dbraw/zinc/94/53/99/771945399.db2.gz FCSXUYLEOKZUSR-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)CC(C)(C)C ZINC001185723112 771949315 /nfs/dbraw/zinc/94/93/15/771949315.db2.gz FLHJIGBJSLKCJI-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185762657 771953149 /nfs/dbraw/zinc/95/31/49/771953149.db2.gz OOVLKTFQEIEYKX-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159914555 771976650 /nfs/dbraw/zinc/97/66/50/771976650.db2.gz DYTSIIXIZXRAFL-HNNXBMFYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427865 772036549 /nfs/dbraw/zinc/03/65/49/772036549.db2.gz VYHHQPLXJFUUNI-HNNXBMFYSA-N 1 3 314.474 0.441 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001160461394 772042911 /nfs/dbraw/zinc/04/29/11/772042911.db2.gz NWGKNSICOHBKMW-INIZCTEOSA-N 1 3 320.437 0.276 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001186486508 772045807 /nfs/dbraw/zinc/04/58/07/772045807.db2.gz APPONVCZNZTQOY-GFCCVEGCSA-N 1 3 307.385 0.800 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1)C(N)=O ZINC001186496766 772046375 /nfs/dbraw/zinc/04/63/75/772046375.db2.gz QCEABLZQDOGRDW-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001186496463 772046647 /nfs/dbraw/zinc/04/66/47/772046647.db2.gz IBUAIOYMJFRFIX-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644204 772084801 /nfs/dbraw/zinc/08/48/01/772084801.db2.gz WYCNPTPITUPUHC-GJZGRUSLSA-N 1 3 307.394 0.107 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)C[C@H]1O ZINC001160656591 772089092 /nfs/dbraw/zinc/08/90/92/772089092.db2.gz ZFGIWERXZPCWDA-QKPAOTATSA-N 1 3 303.406 0.790 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)C[C@H]1O ZINC001160656584 772089738 /nfs/dbraw/zinc/08/97/38/772089738.db2.gz ZFGIWERXZPCWDA-FXUDXRNXSA-N 1 3 303.406 0.790 20 0 DCADHO O=C(N1CCC(n2ccnc2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160725928 772103718 /nfs/dbraw/zinc/10/37/18/772103718.db2.gz IJDKDUOZIZWMNS-CZUORRHYSA-N 1 3 303.410 0.246 20 0 DCADHO CCc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)n1 ZINC001160741178 772104511 /nfs/dbraw/zinc/10/45/11/772104511.db2.gz GPKJGNYTLXLJRN-NEPJUHHUSA-N 1 3 319.409 0.147 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760750 772108312 /nfs/dbraw/zinc/10/83/12/772108312.db2.gz QPGBSPVJHOUJRO-XQQFMLRXSA-N 1 3 319.396 0.786 20 0 DCADHO O=C(N1CC[C@@]2(C1)CC(F)(F)CO2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160769593 772109353 /nfs/dbraw/zinc/10/93/53/772109353.db2.gz MGTDYPKXLJCWSC-KWCYVHTRSA-N 1 3 315.364 0.212 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160793009 772111978 /nfs/dbraw/zinc/11/19/78/772111978.db2.gz ZGUDMGIIFOOJAT-OEUWWYETSA-N 1 3 323.437 0.185 20 0 DCADHO C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001160839700 772120397 /nfs/dbraw/zinc/12/03/97/772120397.db2.gz UHZOPYXJCATNEV-TUAOUCFPSA-N 1 3 323.359 0.706 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC1CCC1)N(C)C ZINC001160883004 772132314 /nfs/dbraw/zinc/13/23/14/772132314.db2.gz FCRXEBXHAAOTSO-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001187276790 772159824 /nfs/dbraw/zinc/15/98/24/772159824.db2.gz VOOIYCSTIJDCMR-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001187276790 772159827 /nfs/dbraw/zinc/15/98/27/772159827.db2.gz VOOIYCSTIJDCMR-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187306413 772172047 /nfs/dbraw/zinc/17/20/47/772172047.db2.gz IFOSROHFJXMCSC-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161207470 772184822 /nfs/dbraw/zinc/18/48/22/772184822.db2.gz ULVPHDBPXUXGBT-HUUCEWRRSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161207470 772184825 /nfs/dbraw/zinc/18/48/25/772184825.db2.gz ULVPHDBPXUXGBT-HUUCEWRRSA-N 1 3 309.454 0.990 20 0 DCADHO CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CCC2(C1)OCCO2 ZINC001161219443 772185587 /nfs/dbraw/zinc/18/55/87/772185587.db2.gz QQHNWWMTSSQZDH-UONOGXRCSA-N 1 3 323.437 0.615 20 0 DCADHO CN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CCC2(C1)OCCO2 ZINC001161219443 772185590 /nfs/dbraw/zinc/18/55/90/772185590.db2.gz QQHNWWMTSSQZDH-UONOGXRCSA-N 1 3 323.437 0.615 20 0 DCADHO CN(C(=O)[C@@]1(N)CCc2cc(F)ccc2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218661 772185798 /nfs/dbraw/zinc/18/57/98/772185798.db2.gz KDIQGQZUDGOWEH-WBTNSWJXSA-N 1 3 303.381 0.688 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCCN(c2cccnc2)CC1 ZINC001161239688 772189307 /nfs/dbraw/zinc/18/93/07/772189307.db2.gz QJKSJDLTJLKOMW-HNNXBMFYSA-N 1 3 305.426 0.577 20 0 DCADHO CCN(C(=O)[C@H](CC(=O)OC(C)(C)C)NC)[C@@H]1CCC[NH2+]C1 ZINC001161329587 772205592 /nfs/dbraw/zinc/20/55/92/772205592.db2.gz GBQNPSGNMBNRNT-OLZOCXBDSA-N 1 3 313.442 0.907 20 0 DCADHO CN(C)CCN(C(=O)[C@@H]1CCC(F)(F)CN1)[C@H]1CCC[NH2+]C1 ZINC001161444146 772224337 /nfs/dbraw/zinc/22/43/37/772224337.db2.gz CQLWSJJIEXQNOE-STQMWFEESA-N 1 3 318.412 0.516 20 0 DCADHO COC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1C ZINC001161459243 772226806 /nfs/dbraw/zinc/22/68/06/772226806.db2.gz BPYIJCCBUYGHPD-RWMBFGLXSA-N 1 3 309.410 0.128 20 0 DCADHO COC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H]1C ZINC001161459243 772226811 /nfs/dbraw/zinc/22/68/11/772226811.db2.gz BPYIJCCBUYGHPD-RWMBFGLXSA-N 1 3 309.410 0.128 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCC3)C2)C1 ZINC001187824923 772230077 /nfs/dbraw/zinc/23/00/77/772230077.db2.gz CLXQGQZYYIUQFR-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCC3)C2)C1 ZINC001187824923 772230081 /nfs/dbraw/zinc/23/00/81/772230081.db2.gz CLXQGQZYYIUQFR-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491905 772233519 /nfs/dbraw/zinc/23/35/19/772233519.db2.gz JOBOENZIXSAHPL-MJBXVCDLSA-N 1 3 311.426 0.156 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)CC12COC2 ZINC001161508375 772236994 /nfs/dbraw/zinc/23/69/94/772236994.db2.gz FBCOLCJCCAEBDD-OPRDCNLKSA-N 1 3 307.316 0.103 20 0 DCADHO Cc1ccn2cc(CN(C)C(=O)[C@@H](N)CSCC[NH3+])nc2c1 ZINC001161532854 772240265 /nfs/dbraw/zinc/24/02/65/772240265.db2.gz YRTWPMYSOKPUIN-ZDUSSCGKSA-N 1 3 321.450 0.620 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921518 772248569 /nfs/dbraw/zinc/24/85/69/772248569.db2.gz LBSWHWIKFNIJNJ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001187921318 772248883 /nfs/dbraw/zinc/24/88/83/772248883.db2.gz FPXDKCBAWIKBAY-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001188106621 772266924 /nfs/dbraw/zinc/26/69/24/772266924.db2.gz OYWFEQLBUDEBAG-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001188158873 772277229 /nfs/dbraw/zinc/27/72/29/772277229.db2.gz XUARDWCLHYGRKO-CHWSQXEVSA-N 1 3 319.396 0.941 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346161 772290600 /nfs/dbraw/zinc/29/06/00/772290600.db2.gz BWGRSUZUKZLPNS-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCOC(=O)c1cncc(NC(=N)NCC[NH+](CC)CC)n1 ZINC001163125480 772468007 /nfs/dbraw/zinc/46/80/07/772468007.db2.gz COELKXXKGMETJN-UHFFFAOYSA-N 1 3 308.386 0.931 20 0 DCADHO C[C@@H](NCCCNC(=O)C1(C[NH+](C)C)CC1)c1cnccn1 ZINC001165263946 772713216 /nfs/dbraw/zinc/71/32/16/772713216.db2.gz XTAAVLAGQHMIPZ-CYBMUJFWSA-N 1 3 305.426 0.975 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001165727980 772758309 /nfs/dbraw/zinc/75/83/09/772758309.db2.gz KZZYXPPXDXTPLI-CQSZACIVSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001166633180 772831881 /nfs/dbraw/zinc/83/18/81/772831881.db2.gz BHRRFTAEGLCVEP-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633217 772832206 /nfs/dbraw/zinc/83/22/06/772832206.db2.gz CQKALWLGFORGJC-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634853 772832745 /nfs/dbraw/zinc/83/27/45/772832745.db2.gz WCMSEEHNEUTWAR-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667612 772837070 /nfs/dbraw/zinc/83/70/70/772837070.db2.gz DXXDPYGBLVURMT-CYBMUJFWSA-N 1 3 307.442 0.666 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667813 772837429 /nfs/dbraw/zinc/83/74/29/772837429.db2.gz IVNIZXMOELOIQI-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCOCC(F)F)C1 ZINC001166678404 772839416 /nfs/dbraw/zinc/83/94/16/772839416.db2.gz UYMGKCQAUORPCY-GFCCVEGCSA-N 1 3 307.385 0.706 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678857 772839713 /nfs/dbraw/zinc/83/97/13/772839713.db2.gz WXCJVIDECRZMGU-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)nn1 ZINC001166708297 772845898 /nfs/dbraw/zinc/84/58/98/772845898.db2.gz OFLJMRVXNDGQNN-OCCSQVGLSA-N 1 3 321.425 0.279 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)nn1 ZINC001166708297 772845900 /nfs/dbraw/zinc/84/59/00/772845900.db2.gz OFLJMRVXNDGQNN-OCCSQVGLSA-N 1 3 321.425 0.279 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCCO[C@H]1CCOC1)N(C)C ZINC001166852450 772871438 /nfs/dbraw/zinc/87/14/38/772871438.db2.gz RAJXCPATRWYZIB-GJZGRUSLSA-N 1 3 315.458 0.618 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203661368 772918115 /nfs/dbraw/zinc/91/81/15/772918115.db2.gz UEUPQFOTHRGULW-KBPBESRZSA-N 1 3 306.410 0.660 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705466 772920114 /nfs/dbraw/zinc/92/01/14/772920114.db2.gz WRANEMNZGQGZEY-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274844 773061175 /nfs/dbraw/zinc/06/11/75/773061175.db2.gz LQUKRNYUIRFNFC-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](O)CCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206403687 773074325 /nfs/dbraw/zinc/07/43/25/773074325.db2.gz RYXLVWNTYOTGDW-CYBMUJFWSA-N 1 3 308.426 0.941 20 0 DCADHO CN1CCN(c2ccccc2CN2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206474860 773079885 /nfs/dbraw/zinc/07/98/85/773079885.db2.gz GTCNWNWCETYNQM-DOTOQJQBSA-N 1 3 304.438 0.190 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC001193642090 773093791 /nfs/dbraw/zinc/09/37/91/773093791.db2.gz MADXBMCGFGMQPE-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC001193642090 773093795 /nfs/dbraw/zinc/09/37/95/773093795.db2.gz MADXBMCGFGMQPE-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001206890460 773121813 /nfs/dbraw/zinc/12/18/13/773121813.db2.gz SMTIFUJVIYSEOH-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206952178 773146497 /nfs/dbraw/zinc/14/64/97/773146497.db2.gz CCCZKEBVPJBGQX-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CCn1cccc(C(=O)N(CC[NH+](CC)CC)C(=N)N)c1=O ZINC001194482386 773195767 /nfs/dbraw/zinc/19/57/67/773195767.db2.gz NHHCETPZMPGUOT-UHFFFAOYSA-N 1 3 307.398 0.546 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CC1(C)COC1)CC2 ZINC001207791139 773304369 /nfs/dbraw/zinc/30/43/69/773304369.db2.gz ICXOWFMBEDPZIV-UHFFFAOYSA-N 1 3 319.449 0.847 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CC1(C)COC1)CC2 ZINC001207791139 773304376 /nfs/dbraw/zinc/30/43/76/773304376.db2.gz ICXOWFMBEDPZIV-UHFFFAOYSA-N 1 3 319.449 0.847 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339671 773436685 /nfs/dbraw/zinc/43/66/85/773436685.db2.gz CPPXZYRBHVJSHT-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001208339698 773436786 /nfs/dbraw/zinc/43/67/86/773436786.db2.gz DNMKORSLZROWHM-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335580 773437115 /nfs/dbraw/zinc/43/71/15/773437115.db2.gz WAFOKCWAMUOENA-HOCLYGCPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447750 773464608 /nfs/dbraw/zinc/46/46/08/773464608.db2.gz OXVQRLOSQVRBEU-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492369 773477339 /nfs/dbraw/zinc/47/73/39/773477339.db2.gz KWVIRHCHPNWFEP-UKRRQHHQSA-N 1 3 307.442 0.351 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208717688 773520354 /nfs/dbraw/zinc/52/03/54/773520354.db2.gz MNLCAZKDCVNISZ-GOEBONIOSA-N 1 3 322.453 0.187 20 0 DCADHO CC(=O)N1CCC[C@@H](CN2CCN(CCC[NH+](C)C)CC2)C1 ZINC001208969865 773544131 /nfs/dbraw/zinc/54/41/31/773544131.db2.gz ORUSBSZSEAAPCH-KRWDZBQOSA-N 1 3 310.486 0.814 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001209304168 773587520 /nfs/dbraw/zinc/58/75/20/773587520.db2.gz NSXJUHDCTRBOCP-ZDUSSCGKSA-N 1 3 320.441 0.536 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)CC1 ZINC001209407849 773601719 /nfs/dbraw/zinc/60/17/19/773601719.db2.gz GLQDFOKVVCWDQS-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001209634016 773627507 /nfs/dbraw/zinc/62/75/07/773627507.db2.gz ZFWYPZJMUSQJLD-UKRRQHHQSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209953741 773662113 /nfs/dbraw/zinc/66/21/13/773662113.db2.gz UHMXYMRHGAZVKK-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001210216914 773686155 /nfs/dbraw/zinc/68/61/55/773686155.db2.gz BYKJKNOMBIXGNZ-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001210219762 773687542 /nfs/dbraw/zinc/68/75/42/773687542.db2.gz UHGYTYJZSFNYBI-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673558 773729084 /nfs/dbraw/zinc/72/90/84/773729084.db2.gz DTVBWQWDEFCNOD-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673558 773729086 /nfs/dbraw/zinc/72/90/86/773729086.db2.gz DTVBWQWDEFCNOD-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001210782529 773736720 /nfs/dbraw/zinc/73/67/20/773736720.db2.gz NIRPIKQYYWXJSL-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001211267794 773787592 /nfs/dbraw/zinc/78/75/92/773787592.db2.gz CRQLLLQZRAMYEU-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001211268928 773787607 /nfs/dbraw/zinc/78/76/07/773787607.db2.gz MCUUKCDMGPUCIX-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC001211286041 773790172 /nfs/dbraw/zinc/79/01/72/773790172.db2.gz SEMSUTPJOWWWKP-HNNXBMFYSA-N 1 3 307.442 0.804 20 0 DCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819795 773813051 /nfs/dbraw/zinc/81/30/51/773813051.db2.gz NNJBNKDAOYNLCC-FZZYSBJUSA-N 1 3 321.465 0.990 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214597549 773999713 /nfs/dbraw/zinc/99/97/13/773999713.db2.gz LNGNZCRJUHHTEN-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214597549 773999717 /nfs/dbraw/zinc/99/97/17/773999717.db2.gz LNGNZCRJUHHTEN-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001215994235 774097338 /nfs/dbraw/zinc/09/73/38/774097338.db2.gz WOKXLECCSLBBEH-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001216216784 774108715 /nfs/dbraw/zinc/10/87/15/774108715.db2.gz ACKMNDRHZIIUBK-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001216216784 774108719 /nfs/dbraw/zinc/10/87/19/774108719.db2.gz ACKMNDRHZIIUBK-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)N(C)C ZINC001216465059 774118417 /nfs/dbraw/zinc/11/84/17/774118417.db2.gz YMBOYRKUKQEANZ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO c1nc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c2n1CCNC2 ZINC001217214443 774161493 /nfs/dbraw/zinc/16/14/93/774161493.db2.gz SSAONULAMYBTMH-UHFFFAOYSA-N 1 3 323.360 0.744 20 0 DCADHO c1cc(O[C@@H]2CC[NH2+][C@H]3CCO[C@@H]32)n2nc3c(c2n1)CNCC3 ZINC001218163947 774214785 /nfs/dbraw/zinc/21/47/85/774214785.db2.gz ZFUPJLRVGXXKFX-GUTXKFCHSA-N 1 3 315.377 0.273 20 0 DCADHO Cc1noc2nc(OC[C@@H]3C[NH2+]CCCO3)c3c(c12)CCNC3 ZINC001218300996 774220282 /nfs/dbraw/zinc/22/02/82/774220282.db2.gz UWEMICHMZHGYCT-NSHDSACASA-N 1 3 318.377 0.934 20 0 DCADHO COc1nc(Cl)cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218519177 774235463 /nfs/dbraw/zinc/23/54/63/774235463.db2.gz RVDSLISGNCCSEC-AMIZOPFISA-N 1 3 311.773 0.276 20 0 DCADHO O=C(Nc1cnn2ccc(Cl)nc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218616366 774264136 /nfs/dbraw/zinc/26/41/36/774264136.db2.gz QYMZBAAQYOQILT-YMTOWFKASA-N 1 3 320.784 0.520 20 0 DCADHO Cc1cc(C)n2nc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cc2n1 ZINC001218627166 774266888 /nfs/dbraw/zinc/26/68/88/774266888.db2.gz BTUBKGPFPXLIGK-MLGOLLRUSA-N 1 3 314.393 0.484 20 0 DCADHO Cc1cc(C)c2c(NC(=O)[C@@H](N)CCCC[NH3+])nn(C)c2n1 ZINC001218660920 774275608 /nfs/dbraw/zinc/27/56/08/774275608.db2.gz JIALRQZDEXMAEQ-NSHDSACASA-N 1 3 304.398 0.980 20 0 DCADHO O=C(C[C@H]1CNCCO1)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218728576 774290625 /nfs/dbraw/zinc/29/06/25/774290625.db2.gz YUKAJKHGFCJYND-OLZOCXBDSA-N 1 3 306.366 0.139 20 0 DCADHO O=C(Nc1nnccc1C(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001218801838 774306937 /nfs/dbraw/zinc/30/69/37/774306937.db2.gz RJJDMBLRUSGIKO-MRVPVSSYSA-N 1 3 301.272 0.243 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccccc1CN1CCOCC1 ZINC001218848309 774313693 /nfs/dbraw/zinc/31/36/93/774313693.db2.gz UPPXTGPHYIEFHO-CQSZACIVSA-N 1 3 306.410 0.524 20 0 DCADHO COC(=O)Cc1ccc(O)c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001218868574 774317191 /nfs/dbraw/zinc/31/71/91/774317191.db2.gz CZHFQPRLMJQNHB-OAHLLOKOSA-N 1 3 321.377 0.373 20 0 DCADHO COCCOc1cccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218950575 774334246 /nfs/dbraw/zinc/33/42/46/774334246.db2.gz ADOOFBYRAMJNJQ-AWEZNQCLSA-N 1 3 305.378 0.459 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(CC(N)=O)c1 ZINC001218954701 774335960 /nfs/dbraw/zinc/33/59/60/774335960.db2.gz PNNYMYYLBPJFMA-AWEZNQCLSA-N 1 3 306.410 0.712 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996142 774345072 /nfs/dbraw/zinc/34/50/72/774345072.db2.gz IKALAGKFUQEQDS-GVXVVHGQSA-N 1 3 304.394 0.554 20 0 DCADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCCF)CC1 ZINC001200657903 774392121 /nfs/dbraw/zinc/39/21/21/774392121.db2.gz FCCOKJUAIQWBSW-HUUCEWRRSA-N 1 3 313.417 0.790 20 0 DCADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOC)C1)N(C)C ZINC001200795784 774410914 /nfs/dbraw/zinc/41/09/14/774410914.db2.gz NNMDMIOKCSWTOU-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO CN1CCNC[C@H]1C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236168 774418868 /nfs/dbraw/zinc/41/88/68/774418868.db2.gz NTOQZPFMMPHYCS-BBRMVZONSA-N 1 3 317.437 0.456 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052988 774445178 /nfs/dbraw/zinc/44/51/78/774445178.db2.gz IROFYTZIGXHOHX-INIZCTEOSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053492 774445187 /nfs/dbraw/zinc/44/51/87/774445187.db2.gz QQVWJVKZUWGHDZ-OAHLLOKOSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C(=O)Oc1cccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219326841 774450160 /nfs/dbraw/zinc/45/01/60/774450160.db2.gz WMMWZIKIJRBQKA-ZDUSSCGKSA-N 1 3 318.377 0.495 20 0 DCADHO CC(C)(C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)N1CCCC1 ZINC001201129271 774459529 /nfs/dbraw/zinc/45/95/29/774459529.db2.gz NNYZTDABESAGKB-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CN1CCc2cc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)ccc2C1=O ZINC001219369941 774468335 /nfs/dbraw/zinc/46/83/35/774468335.db2.gz WDNFHAQLHOMQAL-HNNXBMFYSA-N 1 3 316.405 0.580 20 0 DCADHO NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001219417102 774483452 /nfs/dbraw/zinc/48/34/52/774483452.db2.gz HTINJIQOVDQEEI-NSHDSACASA-N 1 3 303.366 0.662 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCO[C@@H](CNCCF)C2)CC1 ZINC001201308999 774485650 /nfs/dbraw/zinc/48/56/50/774485650.db2.gz IPLGURGIPROIJQ-AWEZNQCLSA-N 1 3 301.406 0.505 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCCO1 ZINC001201402078 774501058 /nfs/dbraw/zinc/50/10/58/774501058.db2.gz ANIUYUTYQKHWOJ-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO Cc1c(NC(=O)[C@H]2C[NH2+]CC23CNC3)ccc2c1OCCO2 ZINC001219498125 774515502 /nfs/dbraw/zinc/51/55/02/774515502.db2.gz QFTYWCCEBOTGMK-LLVKDONJSA-N 1 3 303.362 0.514 20 0 DCADHO Cc1cc2c(cc1CNC(=O)[C@H]1C[NH2+]CC13CNC3)OCCO2 ZINC001219604546 774554128 /nfs/dbraw/zinc/55/41/28/774554128.db2.gz RKQGBYGAWCWUEF-CYBMUJFWSA-N 1 3 317.389 0.191 20 0 DCADHO N[C@@H](C(=O)NCCC1(O)C[NH2+]C1)C12CC3CC(CC(C3)C1)C2 ZINC001219697748 774583037 /nfs/dbraw/zinc/58/30/37/774583037.db2.gz XOTWNZYPBRZIAL-IXUJDMMCSA-N 1 3 307.438 0.371 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)c(C)c1 ZINC001219737568 774595033 /nfs/dbraw/zinc/59/50/33/774595033.db2.gz ZCQZZEQNMJTIDJ-HOTGVXAUSA-N 1 3 317.433 0.668 20 0 DCADHO CN[C@@H](CO)C(=O)N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001219757175 774599531 /nfs/dbraw/zinc/59/95/31/774599531.db2.gz IGYMZVYFNUYJGE-CVEARBPZSA-N 1 3 317.433 0.758 20 0 DCADHO COc1ccc(CCNC(=O)[C@H](N)C2CC[NH2+]CC2)cc1O ZINC001219910354 774644346 /nfs/dbraw/zinc/64/43/46/774644346.db2.gz YWKYROKFGDKXHB-OAHLLOKOSA-N 1 3 307.394 0.386 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccc2nonc2c1 ZINC001219965403 774656987 /nfs/dbraw/zinc/65/69/87/774656987.db2.gz MFVBAORNZYBYEC-LBPRGKRZSA-N 1 3 305.382 0.898 20 0 DCADHO CSCC[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C(C)(C)O ZINC001220146024 774708584 /nfs/dbraw/zinc/70/85/84/774708584.db2.gz ZRPSOVLUSSUANO-VHSXEESVSA-N 1 3 309.501 0.014 20 0 DCADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CNCc2ccnn2C1 ZINC001220159643 774713960 /nfs/dbraw/zinc/71/39/60/774713960.db2.gz PSNWUZAZBFQJQX-JJRVBVJISA-N 1 3 317.437 0.641 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159640 774714110 /nfs/dbraw/zinc/71/41/10/774714110.db2.gz PQNMRTGVNYCYQI-NOLJZWGESA-N 1 3 305.426 0.328 20 0 DCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220283484 774756983 /nfs/dbraw/zinc/75/69/83/774756983.db2.gz WXIHLFGOAXEHFB-UONOGXRCSA-N 1 3 305.378 0.315 20 0 DCADHO COc1ccc(CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)nn1 ZINC001220343433 774779361 /nfs/dbraw/zinc/77/93/61/774779361.db2.gz OHUUJMBVVJADBD-ZDUSSCGKSA-N 1 3 309.414 0.597 20 0 DCADHO C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220352785 774780452 /nfs/dbraw/zinc/78/04/52/774780452.db2.gz FGICBYZEHHJGEF-BPLDGKMQSA-N 1 3 319.405 0.909 20 0 DCADHO CCOC(=O)C1(CNC(=O)[C@@H](N)CCCC[NH+](C)C)CCC1 ZINC001220371669 774784086 /nfs/dbraw/zinc/78/40/86/774784086.db2.gz ZUXVRAOIUIBEBT-ZDUSSCGKSA-N 1 3 313.442 0.895 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220406555 774799225 /nfs/dbraw/zinc/79/92/25/774799225.db2.gz SSBUYHZVWMMGAI-FRRDWIJNSA-N 1 3 309.410 0.319 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220406555 774799228 /nfs/dbraw/zinc/79/92/28/774799228.db2.gz SSBUYHZVWMMGAI-FRRDWIJNSA-N 1 3 309.410 0.319 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@@]1(N)CCc2cc(F)ccc2C1 ZINC001220517338 774832620 /nfs/dbraw/zinc/83/26/20/774832620.db2.gz HLXHGLHWIMAFCS-MRXNPFEDSA-N 1 3 308.401 0.019 20 0 DCADHO CCCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638203 774872240 /nfs/dbraw/zinc/87/22/40/774872240.db2.gz WJNCULYFCDCDBK-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO COc1cc(F)cc(CNC(=O)[C@@H](N)CSCC[NH3+])c1 ZINC001220667942 774883380 /nfs/dbraw/zinc/88/33/80/774883380.db2.gz HUSAOVOWJOJJRY-LBPRGKRZSA-N 1 3 301.387 0.470 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755466 774908706 /nfs/dbraw/zinc/90/87/06/774908706.db2.gz PJBMXGZZXICYST-XWYFBGFKSA-N 1 3 309.454 0.846 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755466 774908709 /nfs/dbraw/zinc/90/87/09/774908709.db2.gz PJBMXGZZXICYST-XWYFBGFKSA-N 1 3 309.454 0.846 20 0 DCADHO O=C(NCCC1CCC(O)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220757178 774909812 /nfs/dbraw/zinc/90/98/12/774909812.db2.gz WJHLCWPTRICWHB-YMAMQOFZSA-N 1 3 309.454 0.918 20 0 DCADHO O=C(NCCC1CCC(O)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220757178 774909815 /nfs/dbraw/zinc/90/98/15/774909815.db2.gz WJHLCWPTRICWHB-YMAMQOFZSA-N 1 3 309.454 0.918 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786277 774914647 /nfs/dbraw/zinc/91/46/47/774914647.db2.gz SWLGVBWDBAJOJB-VHDGCEQUSA-N 1 3 314.393 0.142 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786277 774914650 /nfs/dbraw/zinc/91/46/50/774914650.db2.gz SWLGVBWDBAJOJB-VHDGCEQUSA-N 1 3 314.393 0.142 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220785820 774914680 /nfs/dbraw/zinc/91/46/80/774914680.db2.gz DDZOEMSBEVUTJT-VNHYZAJKSA-N 1 3 320.393 0.129 20 0 DCADHO CCOC(=O)[C@H](C)CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220849189 774934717 /nfs/dbraw/zinc/93/47/17/774934717.db2.gz VXSMAUGVCCDVMD-OLZOCXBDSA-N 1 3 301.431 0.797 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1C[NH3+] ZINC001220855197 774937142 /nfs/dbraw/zinc/93/71/42/774937142.db2.gz POEJQZSOKGSVAF-FZMZJTMJSA-N 1 3 304.394 0.100 20 0 DCADHO O=C(NCCO[C@@H]1CCCCO1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220862099 774938163 /nfs/dbraw/zinc/93/81/63/774938163.db2.gz PKUKGPBHSJGGRC-ZIAGYGMSSA-N 1 3 311.426 0.520 20 0 DCADHO O=C(NCCO[C@@H]1CCCCO1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220862099 774938166 /nfs/dbraw/zinc/93/81/66/774938166.db2.gz PKUKGPBHSJGGRC-ZIAGYGMSSA-N 1 3 311.426 0.520 20 0 DCADHO COC[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)[C@@H](O)c1ccccc1 ZINC001220866407 774939407 /nfs/dbraw/zinc/93/94/07/774939407.db2.gz YCZRZDIWCGPTPU-JYJNAYRXSA-N 1 3 321.421 0.178 20 0 DCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220887022 774944225 /nfs/dbraw/zinc/94/42/25/774944225.db2.gz RUMBVXVEFYXCLO-LSDHHAIUSA-N 1 3 319.405 0.706 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1[NH2+]CC[C@H]1O ZINC001220926433 774954380 /nfs/dbraw/zinc/95/43/80/774954380.db2.gz MFXQSCOCFFQCKN-CVEARBPZSA-N 1 3 318.421 0.133 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220936572 774957363 /nfs/dbraw/zinc/95/73/63/774957363.db2.gz HJNHYJTWYXWPEJ-CVEARBPZSA-N 1 3 321.421 0.450 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NC1(Cc2ccccn2)CCOCC1 ZINC001220947005 774959771 /nfs/dbraw/zinc/95/97/71/774959771.db2.gz QQXDSSQUPXVEOW-CQSZACIVSA-N 1 3 306.410 0.356 20 0 DCADHO NC[C@H](O)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976538 774967202 /nfs/dbraw/zinc/96/72/02/774967202.db2.gz CQCVZJCUVXVHHN-AWEZNQCLSA-N 1 3 309.385 0.174 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NC1CN(c2ncnc3ccccc32)C1 ZINC001220985128 774969913 /nfs/dbraw/zinc/96/99/13/774969913.db2.gz OPIKCUSIRCEQLG-CYBMUJFWSA-N 1 3 314.393 0.001 20 0 DCADHO CC(C)CN(C(=O)[C@@H]1COC2(CNC2)CN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188612 775020065 /nfs/dbraw/zinc/02/00/65/775020065.db2.gz ZCPAFFYWRSLRMT-KKUMJFAQSA-N 1 3 324.469 0.071 20 0 DCADHO Cn1ncc2c1cccc2CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221305989 775063048 /nfs/dbraw/zinc/06/30/48/775063048.db2.gz JXVMVAFSCUNIQJ-CXAGYDPISA-N 1 3 313.405 0.389 20 0 DCADHO c1cc2c(cc1CN1CCOC[C@@]3(CNCCO3)C1)CC[NH2+]C2 ZINC001222186268 775293715 /nfs/dbraw/zinc/29/37/15/775293715.db2.gz BWSRMRGMSUIKCC-GOSISDBHSA-N 1 3 317.433 0.523 20 0 DCADHO O=C1NCC[C@]12C[N@H+](Cc1ccc3c(c1)CCN3)CC21CNC1 ZINC001222528600 775380113 /nfs/dbraw/zinc/38/01/13/775380113.db2.gz XVQVULCCWOLPOY-SFHVURJKSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@]12C[N@@H+](Cc1ccc3c(c1)CCN3)CC21CNC1 ZINC001222528600 775380126 /nfs/dbraw/zinc/38/01/26/775380126.db2.gz XVQVULCCWOLPOY-SFHVURJKSA-N 1 3 312.417 0.566 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001226161566 775774148 /nfs/dbraw/zinc/77/41/48/775774148.db2.gz QXOZYIQHJCVHBH-KFWWJZLASA-N 1 3 324.469 0.622 20 0 DCADHO CN(C)[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC001227797894 776006834 /nfs/dbraw/zinc/00/68/34/776006834.db2.gz OTTWONMSHSTSBM-CZUORRHYSA-N 1 3 309.454 0.944 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227806531 776008915 /nfs/dbraw/zinc/00/89/15/776008915.db2.gz DCEVLOSJTLFWEH-CQSZACIVSA-N 1 3 313.442 0.059 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227900132 776021787 /nfs/dbraw/zinc/02/17/87/776021787.db2.gz IRBZDBWXMOECQS-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001114746451 776092186 /nfs/dbraw/zinc/09/21/86/776092186.db2.gz SRBGCPZYVJLASU-FOLVSLTJSA-N 1 3 305.426 0.271 20 0 DCADHO CC(C)(C(=O)N1CC[C@H]2CCN(CCO)[C@H]2C1)[NH+]1CCCC1 ZINC001042187581 777764916 /nfs/dbraw/zinc/76/49/16/777764916.db2.gz NNYRWDPXSOYSRI-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1)N1CCCC1 ZINC001042187581 777764922 /nfs/dbraw/zinc/76/49/22/777764922.db2.gz NNYRWDPXSOYSRI-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1)N1CCCC1 ZINC001042187581 777764926 /nfs/dbraw/zinc/76/49/26/777764926.db2.gz NNYRWDPXSOYSRI-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001277959698 945063136 /nfs/dbraw/zinc/06/31/36/945063136.db2.gz BHFIWZORBHGJRL-KBMXLJTQSA-N 1 3 321.465 0.822 20 0 DCADHO C[C@@H](O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001277959698 945063150 /nfs/dbraw/zinc/06/31/50/945063150.db2.gz BHFIWZORBHGJRL-KBMXLJTQSA-N 1 3 321.465 0.822 20 0 DCADHO CNC(=O)CN1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001278011225 945095388 /nfs/dbraw/zinc/09/53/88/945095388.db2.gz MNRHCGPLIGODNT-OKILXGFUSA-N 1 3 318.421 0.677 20 0 DCADHO CNC(=O)CN1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001278011225 945095399 /nfs/dbraw/zinc/09/53/99/945095399.db2.gz MNRHCGPLIGODNT-OKILXGFUSA-N 1 3 318.421 0.677 20 0 DCADHO C[NH+](C)CCN1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NCc1c[nH]cn1 ZINC001278040118 945112110 /nfs/dbraw/zinc/11/21/10/945112110.db2.gz NJJGGGFSPFPUBA-AGGWBTHJSA-N 1 3 305.426 0.546 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317655398 945147152 /nfs/dbraw/zinc/14/71/52/945147152.db2.gz QQHGHOOMJCUNKI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2nc(C)no2)C1)N(C)C ZINC001266725875 939221454 /nfs/dbraw/zinc/22/14/54/939221454.db2.gz XVDDFTOOXFTWNA-HZSPNIEDSA-N 1 3 323.441 0.888 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001266733650 939224421 /nfs/dbraw/zinc/22/44/21/939224421.db2.gz YNYFRBUJYZQELV-AWEZNQCLSA-N 1 3 300.447 0.145 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC)C1 ZINC001267001813 939303483 /nfs/dbraw/zinc/30/34/83/939303483.db2.gz AZUQHTVONZOWEH-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001267019469 939312514 /nfs/dbraw/zinc/31/25/14/939312514.db2.gz SMFCFITUFAGYCJ-KBPBESRZSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001267026562 939316589 /nfs/dbraw/zinc/31/65/89/939316589.db2.gz QAUPPHRKCSCXQL-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO COc1cc(CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001267071758 939330957 /nfs/dbraw/zinc/33/09/57/939330957.db2.gz JHSYZZBWCKNVTD-CQSZACIVSA-N 1 3 306.410 0.590 20 0 DCADHO COc1cc(CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001267071758 939330959 /nfs/dbraw/zinc/33/09/59/939330959.db2.gz JHSYZZBWCKNVTD-CQSZACIVSA-N 1 3 306.410 0.590 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001267113339 939347970 /nfs/dbraw/zinc/34/79/70/939347970.db2.gz IRHANUJINOOTCJ-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001267113339 939347975 /nfs/dbraw/zinc/34/79/75/939347975.db2.gz IRHANUJINOOTCJ-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCNC(=O)C1CC1 ZINC001267117430 939349819 /nfs/dbraw/zinc/34/98/19/939349819.db2.gz SHXWCDFOPRDJJW-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCCN2CC(N)=O)C1 ZINC001267178469 939372971 /nfs/dbraw/zinc/37/29/71/939372971.db2.gz ADGAJOVNIPAYRZ-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCCN2CC(N)=O)C1 ZINC001267178469 939372974 /nfs/dbraw/zinc/37/29/74/939372974.db2.gz ADGAJOVNIPAYRZ-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001267615314 939575722 /nfs/dbraw/zinc/57/57/22/939575722.db2.gz MNVGISMKFBJFJQ-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001267615314 939575724 /nfs/dbraw/zinc/57/57/24/939575724.db2.gz MNVGISMKFBJFJQ-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001481236236 939658087 /nfs/dbraw/zinc/65/80/87/939658087.db2.gz LXAXKSKUGITDEO-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001481236236 939658089 /nfs/dbraw/zinc/65/80/89/939658089.db2.gz LXAXKSKUGITDEO-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)NCC)C1 ZINC001481269640 939685150 /nfs/dbraw/zinc/68/51/50/939685150.db2.gz KIFMLFPZTFAQOZ-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)NCC)C1 ZINC001481269640 939685151 /nfs/dbraw/zinc/68/51/51/939685151.db2.gz KIFMLFPZTFAQOZ-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481279435 939703627 /nfs/dbraw/zinc/70/36/27/939703627.db2.gz HTCQEDCUTJYCOH-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481279435 939703628 /nfs/dbraw/zinc/70/36/28/939703628.db2.gz HTCQEDCUTJYCOH-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CCCC[NH+]1CCCC1 ZINC001481322006 939747555 /nfs/dbraw/zinc/74/75/55/939747555.db2.gz MVOXEWHAVOQOIT-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](O)CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481496286 939902106 /nfs/dbraw/zinc/90/21/06/939902106.db2.gz ARDCOCPPMCLUJS-KGLIPLIRSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@@H](O)CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481496286 939902111 /nfs/dbraw/zinc/90/21/11/939902111.db2.gz ARDCOCPPMCLUJS-KGLIPLIRSA-N 1 3 308.426 0.894 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)CCC1 ZINC001481629337 939980727 /nfs/dbraw/zinc/98/07/27/939980727.db2.gz FLLUMHPFMZPNMP-NVXWUHKLSA-N 1 3 321.465 0.945 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCn2cccn2)C1 ZINC001481773750 940133104 /nfs/dbraw/zinc/13/31/04/940133104.db2.gz BZKYAHQURQBJGO-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1n[nH]c(C)n1 ZINC001481821151 940150332 /nfs/dbraw/zinc/15/03/32/940150332.db2.gz LTZZOEAFKWXPSP-ZIAGYGMSSA-N 1 3 322.457 0.972 20 0 DCADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1n[nH]c(C)n1 ZINC001481821151 940150334 /nfs/dbraw/zinc/15/03/34/940150334.db2.gz LTZZOEAFKWXPSP-ZIAGYGMSSA-N 1 3 322.457 0.972 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268479834 940176558 /nfs/dbraw/zinc/17/65/58/940176558.db2.gz UZZGMSAYHVGYNE-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268479834 940176559 /nfs/dbraw/zinc/17/65/59/940176559.db2.gz UZZGMSAYHVGYNE-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CCNC[C@@H]2F)cc1 ZINC001245978121 945304633 /nfs/dbraw/zinc/30/46/33/945304633.db2.gz ZXQDUDSXFFZTQE-VNQPRFMTSA-N 1 3 312.385 0.387 20 0 DCADHO COC(=O)[C@@H](O)CN[C@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001245998764 945309128 /nfs/dbraw/zinc/30/91/28/945309128.db2.gz IISPLNMRMFACEC-GJZGRUSLSA-N 1 3 310.369 0.990 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001268615314 940301344 /nfs/dbraw/zinc/30/13/44/940301344.db2.gz ACYJKSSNAKEDJQ-HYLRALAJSA-N 1 3 310.442 0.065 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCCN1C ZINC001268784516 940358916 /nfs/dbraw/zinc/35/89/16/940358916.db2.gz WHVQWKLQLNPLPH-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001409999736 945320068 /nfs/dbraw/zinc/32/00/68/945320068.db2.gz PXGYZCRFXWPUNV-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001409999736 945320077 /nfs/dbraw/zinc/32/00/77/945320077.db2.gz PXGYZCRFXWPUNV-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246089481 945335090 /nfs/dbraw/zinc/33/50/90/945335090.db2.gz QQBDDHMFIZRLKF-GUIRCDHDSA-N 1 3 302.390 0.760 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001482430993 941218070 /nfs/dbraw/zinc/21/80/70/941218070.db2.gz AJYHZGFZRDWJOY-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001271700409 941425785 /nfs/dbraw/zinc/42/57/85/941425785.db2.gz RHNWALYHYAVBEP-CABCVRRESA-N 1 3 322.457 0.304 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001482554224 941492873 /nfs/dbraw/zinc/49/28/73/941492873.db2.gz RMXZXZMOECOSHI-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cncn1C ZINC001482554359 941493705 /nfs/dbraw/zinc/49/37/05/941493705.db2.gz TUPFPNZIEWRQIC-GOEBONIOSA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC001409110594 941528979 /nfs/dbraw/zinc/52/89/79/941528979.db2.gz INBGVMFTSDSKOY-YDHLFZDLSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC001409110594 941528982 /nfs/dbraw/zinc/52/89/82/941528982.db2.gz INBGVMFTSDSKOY-YDHLFZDLSA-N 1 3 324.469 0.384 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)N2CCC2)C1 ZINC001482660985 941612629 /nfs/dbraw/zinc/61/26/29/941612629.db2.gz BWXDVAQKXLOTTJ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CNC/C=C\Cl)CC1 ZINC001482781121 941662690 /nfs/dbraw/zinc/66/26/90/941662690.db2.gz NHERGJBCCIFEOJ-JHAQOBCDSA-N 1 3 317.861 0.926 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)Cc1c[nH]cn1 ZINC001482952585 941723103 /nfs/dbraw/zinc/72/31/03/941723103.db2.gz PGSMHQZBIZAWJD-ZDUSSCGKSA-N 1 3 317.397 0.169 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCc2cccnc2)CC[N@@H+]1C ZINC001272169679 941765518 /nfs/dbraw/zinc/76/55/18/941765518.db2.gz USPLFAORYJECPX-GDBMZVCRSA-N 1 3 320.437 0.332 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCc2cccnc2)CC[N@H+]1C ZINC001272169679 941765521 /nfs/dbraw/zinc/76/55/21/941765521.db2.gz USPLFAORYJECPX-GDBMZVCRSA-N 1 3 320.437 0.332 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001483132743 941893592 /nfs/dbraw/zinc/89/35/92/941893592.db2.gz DWDAUANACKAFDG-ZBFHGGJFSA-N 1 3 321.469 0.931 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001409443273 942000084 /nfs/dbraw/zinc/00/00/84/942000084.db2.gz CCSZFASWTBIKLS-QWHCGFSZSA-N 1 3 322.457 0.972 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001483560275 942418291 /nfs/dbraw/zinc/41/82/91/942418291.db2.gz DJKIXAWLFPLJDR-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001413107828 942508774 /nfs/dbraw/zinc/50/87/74/942508774.db2.gz OQKQJRZXMHRXPH-WCQYABFASA-N 1 3 321.425 0.318 20 0 DCADHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC(=O)N1 ZINC001272525688 942804537 /nfs/dbraw/zinc/80/45/37/942804537.db2.gz XGKUPMZSCGUTQQ-WMLDXEAASA-N 1 3 322.453 0.284 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CCc1ccccc1 ZINC001272566705 942829135 /nfs/dbraw/zinc/82/91/35/942829135.db2.gz BXKPBLPJKMTNNG-OAHLLOKOSA-N 1 3 316.405 0.570 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCn1cccn1)C1CCC1 ZINC001483935108 943036332 /nfs/dbraw/zinc/03/63/32/943036332.db2.gz SRXIQPXTYRDCBN-INIZCTEOSA-N 1 3 319.453 0.948 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001484002032 943078538 /nfs/dbraw/zinc/07/85/38/943078538.db2.gz SHHXDHQFAZYMAB-HUUCEWRRSA-N 1 3 322.453 0.078 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CCCC1 ZINC001484013953 943082726 /nfs/dbraw/zinc/08/27/26/943082726.db2.gz GDGCYNQHJUZLSW-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO O=C(NCC1(NCCF)CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001484181488 943176773 /nfs/dbraw/zinc/17/67/73/943176773.db2.gz CZABTMWJFFIBGV-AWEZNQCLSA-N 1 3 313.417 0.553 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC(C)C2)C1 ZINC001484248488 943262185 /nfs/dbraw/zinc/26/21/85/943262185.db2.gz NJROPUNYNUASBC-MKTAYPAQSA-N 1 3 320.437 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@H+](CC2CC(C)C2)C1 ZINC001484248488 943262188 /nfs/dbraw/zinc/26/21/88/943262188.db2.gz NJROPUNYNUASBC-MKTAYPAQSA-N 1 3 320.437 0.860 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001484927217 943625429 /nfs/dbraw/zinc/62/54/29/943625429.db2.gz KRRQYEIQZMMUGN-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485187113 943745931 /nfs/dbraw/zinc/74/59/31/943745931.db2.gz RHFUQVJERWFBAD-RYUDHWBXSA-N 1 3 310.442 0.090 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001203010815 944142434 /nfs/dbraw/zinc/14/24/34/944142434.db2.gz WHNIQWDTBWCQBZ-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001485955401 944414273 /nfs/dbraw/zinc/41/42/73/944414273.db2.gz LYAMTZDKLURYSH-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001485960199 944448682 /nfs/dbraw/zinc/44/86/82/944448682.db2.gz BJUCQOJXQAOBEH-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C)C1CC1 ZINC001486085654 944546356 /nfs/dbraw/zinc/54/63/56/944546356.db2.gz SCSCOTJPYHHIGX-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486120428 944577419 /nfs/dbraw/zinc/57/74/19/944577419.db2.gz AUNBJGFXMMPOMS-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C/Cl)N(C)C ZINC001486282575 944693699 /nfs/dbraw/zinc/69/36/99/944693699.db2.gz DZSWBUPIYIXZKF-XKZLPGLHSA-N 1 3 305.850 0.734 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC001486317911 944762054 /nfs/dbraw/zinc/76/20/54/944762054.db2.gz NINQRZJYPGDUMW-MRXNPFEDSA-N 1 3 307.438 0.936 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCC2CC2)C1 ZINC001486349055 944833726 /nfs/dbraw/zinc/83/37/26/944833726.db2.gz NSGHJRYOOLUOGH-ZBFHGGJFSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC2CC2)C1 ZINC001486349055 944833730 /nfs/dbraw/zinc/83/37/30/944833730.db2.gz NSGHJRYOOLUOGH-ZBFHGGJFSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](CNC(=O)CC[NH+](C)C)C2CC2)CCC1 ZINC001430032343 1013061010 /nfs/dbraw/zinc/06/10/10/1013061010.db2.gz BTYYQQSBTSFACP-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCOCC[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCCN1C ZINC001486493311 944924589 /nfs/dbraw/zinc/92/45/89/944924589.db2.gz SQSWVTUTTVZQNC-BPJJOFIESA-N 1 3 303.834 0.898 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCn2cccn2)CCC1 ZINC001277864944 945013485 /nfs/dbraw/zinc/01/34/85/945013485.db2.gz BXADDELPGPFELA-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246375208 945399490 /nfs/dbraw/zinc/39/94/90/945399490.db2.gz WXVZXAUIMDNZBQ-GRDNDAEWSA-N 1 3 324.469 0.086 20 0 DCADHO c1cc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)nc(OC2CCC2)n1 ZINC001246398377 945402220 /nfs/dbraw/zinc/40/22/20/945402220.db2.gz WDUPIRADWRWDBQ-GFCCVEGCSA-N 1 3 303.410 0.592 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486947602 945425532 /nfs/dbraw/zinc/42/55/32/945425532.db2.gz FRUQGJXFVATFGL-AAEUAGOBSA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486947602 945425537 /nfs/dbraw/zinc/42/55/37/945425537.db2.gz FRUQGJXFVATFGL-AAEUAGOBSA-N 1 3 321.425 0.175 20 0 DCADHO COc1ccccc1N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246536574 945425822 /nfs/dbraw/zinc/42/58/22/945425822.db2.gz GVEJLUZUMKSJMH-OAHLLOKOSA-N 1 3 316.449 0.911 20 0 DCADHO O=C1NCCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C12CNC2 ZINC001246636610 945449328 /nfs/dbraw/zinc/44/93/28/945449328.db2.gz ONJFMLRZIPFEKN-HZPDHXFCSA-N 1 3 314.433 0.124 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)C(=O)Cc1c[nH]cn1 ZINC001486978177 945455343 /nfs/dbraw/zinc/45/53/43/945455343.db2.gz YTLSBANRRGMEPB-LBPRGKRZSA-N 1 3 309.414 0.257 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C[C@@H]2N1 ZINC001246672659 945457666 /nfs/dbraw/zinc/45/76/66/945457666.db2.gz VNJROABNCSGUPX-AQGHMYMLSA-N 1 3 307.438 0.885 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4)C[C@@H]2N1 ZINC001246672659 945457672 /nfs/dbraw/zinc/45/76/72/945457672.db2.gz VNJROABNCSGUPX-AQGHMYMLSA-N 1 3 307.438 0.885 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2CN([C@@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C[C@@H]2N1 ZINC001246672659 945457676 /nfs/dbraw/zinc/45/76/76/945457676.db2.gz VNJROABNCSGUPX-AQGHMYMLSA-N 1 3 307.438 0.885 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H](N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)CCN1 ZINC001246690616 945462271 /nfs/dbraw/zinc/46/22/71/945462271.db2.gz KXOFPFOGKQQRKQ-CRWXNKLISA-N 1 3 313.417 0.679 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CCN1 ZINC001246707770 945466838 /nfs/dbraw/zinc/46/68/38/945466838.db2.gz VOLMOVVKCIEJMP-WRQOLXDDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CCN1 ZINC001246707770 945466839 /nfs/dbraw/zinc/46/68/39/945466839.db2.gz VOLMOVVKCIEJMP-WRQOLXDDSA-N 1 3 321.465 0.944 20 0 DCADHO O=C([C@H]1COC[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]21)N1CCCO1 ZINC001246745464 945482020 /nfs/dbraw/zinc/48/20/20/945482020.db2.gz ODQJBHZHPXRAMO-TUVASFSCSA-N 1 3 309.410 0.097 20 0 DCADHO C[C@H]1C[C@@H](N2CCC(C(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC001246807900 945493038 /nfs/dbraw/zinc/49/30/38/945493038.db2.gz UZIWTLSQMSCFSK-HOCLYGCPSA-N 1 3 308.470 0.613 20 0 DCADHO CCCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319130246 945502749 /nfs/dbraw/zinc/50/27/49/945502749.db2.gz SEILGHSIOVZFPX-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319130246 945502753 /nfs/dbraw/zinc/50/27/53/945502753.db2.gz SEILGHSIOVZFPX-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+](C3CCN(CC)CC3)C[C@H]1CNCC2 ZINC001246855110 945504582 /nfs/dbraw/zinc/50/45/82/945504582.db2.gz JTVHVWJSHSVGPE-RHSMWYFYSA-N 1 3 309.454 0.945 20 0 DCADHO CCOC(=O)[C@]12C[N@H+](C3CCN(CC)CC3)C[C@H]1CNCC2 ZINC001246855110 945504588 /nfs/dbraw/zinc/50/45/88/945504588.db2.gz JTVHVWJSHSVGPE-RHSMWYFYSA-N 1 3 309.454 0.945 20 0 DCADHO Clc1ccc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246854476 945505532 /nfs/dbraw/zinc/50/55/32/945505532.db2.gz UUUFXRBCTGZMBL-AWEZNQCLSA-N 1 3 321.856 0.951 20 0 DCADHO Cc1cc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)ncn1 ZINC001246961306 945527551 /nfs/dbraw/zinc/52/75/51/945527551.db2.gz QAOIYXJEGBEJRJ-CQSZACIVSA-N 1 3 302.426 0.001 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246973657 945533359 /nfs/dbraw/zinc/53/33/59/945533359.db2.gz HOMVULNANDGHKC-BFYDXBDKSA-N 1 3 324.469 0.168 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)CNCCO4)C[C@H](C1)N2 ZINC001246983616 945535791 /nfs/dbraw/zinc/53/57/91/945535791.db2.gz CSKPXKZOTGSOHI-UDAKYZJQSA-N 1 3 323.437 0.123 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)CNCCO4)C[C@H](C1)N2 ZINC001246983616 945535800 /nfs/dbraw/zinc/53/58/00/945535800.db2.gz CSKPXKZOTGSOHI-UDAKYZJQSA-N 1 3 323.437 0.123 20 0 DCADHO COCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001278488221 945557687 /nfs/dbraw/zinc/55/76/87/945557687.db2.gz UMVMBAPVGZNFDX-NWANDNLSSA-N 1 3 306.410 0.815 20 0 DCADHO c1cc(-c2noc([C@@H]3C[NH2+]CCCO3)n2)nc2c1CNCC2 ZINC001247754419 945572899 /nfs/dbraw/zinc/57/28/99/945572899.db2.gz WHLMDFWBKQXURW-ZDUSSCGKSA-N 1 3 301.350 0.828 20 0 DCADHO COc1cc(OC)c(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cn1 ZINC001247831588 945576374 /nfs/dbraw/zinc/57/63/74/945576374.db2.gz AXTAZIYPTTUKKQ-JTQLQIEISA-N 1 3 317.349 0.425 20 0 DCADHO O[C@H](C[NH2+]C1CCN(CC2CCC2)CC1)CN1CCOCC1 ZINC001251045174 945727187 /nfs/dbraw/zinc/72/71/87/945727187.db2.gz DUHZNWKXDSEUTO-QGZVFWFLSA-N 1 3 311.470 0.534 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001273201010 945777863 /nfs/dbraw/zinc/77/78/63/945777863.db2.gz ACEIJJXAAMPZSU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C[C@H](O)C[NH+](CC)CC ZINC001253187966 946086668 /nfs/dbraw/zinc/08/66/68/946086668.db2.gz MFZKXSJEBSZXAQ-DOMZBBRYSA-N 1 3 324.425 0.575 20 0 DCADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(c2ncccn2)CC1 ZINC001253404492 946116707 /nfs/dbraw/zinc/11/67/07/946116707.db2.gz XIWSKODHMUHFFI-AWEZNQCLSA-N 1 3 307.442 0.784 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001321096095 946162509 /nfs/dbraw/zinc/16/25/09/946162509.db2.gz GGESGNNVRNQINF-OKYAQOQYSA-N 1 3 322.453 0.401 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001321096095 946162514 /nfs/dbraw/zinc/16/25/14/946162514.db2.gz GGESGNNVRNQINF-OKYAQOQYSA-N 1 3 322.453 0.401 20 0 DCADHO O=C(NC/C=C/CN[C@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001321134448 946184206 /nfs/dbraw/zinc/18/42/06/946184206.db2.gz DIFLIJIAJTYDPN-YUKKFKLSSA-N 1 3 320.437 0.155 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001321251247 946238176 /nfs/dbraw/zinc/23/81/76/946238176.db2.gz JTTGBHFODWLCQB-LUNKNMTDSA-N 1 3 324.469 0.505 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001410386972 946289070 /nfs/dbraw/zinc/28/90/70/946289070.db2.gz UEBCNTVMWGGHFB-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001410386972 946289080 /nfs/dbraw/zinc/28/90/80/946289080.db2.gz UEBCNTVMWGGHFB-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001410421865 946340417 /nfs/dbraw/zinc/34/04/17/946340417.db2.gz VUKZJLXVELHULH-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)N1CCCC1 ZINC001410433718 946361256 /nfs/dbraw/zinc/36/12/56/946361256.db2.gz IWRICUDVINZIOX-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(=O)N(C)C ZINC001410521915 946510524 /nfs/dbraw/zinc/51/05/24/946510524.db2.gz SEYWHPLHGOEBJC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO COCCC1([NH3+])CCN([C@H](C)CC(=O)N2CCOCC2)CC1 ZINC001256328198 946612877 /nfs/dbraw/zinc/61/28/77/946612877.db2.gz DYYNPXVZPSMZJO-CQSZACIVSA-N 1 3 313.442 0.454 20 0 DCADHO CC(C)(C)N1CCC([NH2+]CCOCCN2C(=O)C=CC2=O)CC1 ZINC001256565482 946644566 /nfs/dbraw/zinc/64/45/66/946644566.db2.gz IGPRRSHTKSAJKW-UHFFFAOYSA-N 1 3 323.437 0.781 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256630391 946650755 /nfs/dbraw/zinc/65/07/55/946650755.db2.gz DAIXIFLSLFFLEW-JZWPEALZSA-N 1 3 308.470 0.754 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256630391 946650759 /nfs/dbraw/zinc/65/07/59/946650759.db2.gz DAIXIFLSLFFLEW-JZWPEALZSA-N 1 3 308.470 0.754 20 0 DCADHO NC[C@]1([NH2+]C2CCC(N3CCOCC3)CC2)CN2CCC1CC2 ZINC001256683507 946652726 /nfs/dbraw/zinc/65/27/26/946652726.db2.gz DLXFABSOZHIRNR-ABHNRTSZSA-N 1 3 322.497 0.643 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001410622978 946667457 /nfs/dbraw/zinc/66/74/57/946667457.db2.gz QAXLFHKGQUGCGG-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001411186008 947456609 /nfs/dbraw/zinc/45/66/09/947456609.db2.gz KXIQEMWIWINJEG-HNNXBMFYSA-N 1 3 308.426 0.894 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001411186008 947456615 /nfs/dbraw/zinc/45/66/15/947456615.db2.gz KXIQEMWIWINJEG-HNNXBMFYSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001262068302 947549167 /nfs/dbraw/zinc/54/91/67/947549167.db2.gz XHDIVRCARWKORH-IACUBPJLSA-N 1 3 308.426 0.139 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001411272335 947562248 /nfs/dbraw/zinc/56/22/48/947562248.db2.gz FOBUKEIOVSRNPG-JXQTWKCFSA-N 1 3 310.442 0.138 20 0 DCADHO CN1CCN(Cc2cccc(CN[C@@H]3C[NH2+]CCOC3)c2)CC1 ZINC001262202483 947601284 /nfs/dbraw/zinc/60/12/84/947601284.db2.gz VNTKMNURTPCASP-GOSISDBHSA-N 1 3 318.465 0.512 20 0 DCADHO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246366116 947690939 /nfs/dbraw/zinc/69/09/39/947690939.db2.gz LXEGPHNXWAVWSI-JSGCOSHPSA-N 1 3 303.472 0.778 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C1CC1 ZINC001179486860 947852134 /nfs/dbraw/zinc/85/21/34/947852134.db2.gz SCSCOTJPYHHIGX-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H]1C)N(C)C ZINC001179546295 947867382 /nfs/dbraw/zinc/86/73/82/947867382.db2.gz JUCHWNQDHNYUGE-QEJZJMRPSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C)C(N)=O ZINC001179549988 947867761 /nfs/dbraw/zinc/86/77/61/947867761.db2.gz OWUZZGPUKRPWCZ-AVGNSLFASA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C)C(N)=O ZINC001180156735 947905637 /nfs/dbraw/zinc/90/56/37/947905637.db2.gz DGQUEVAJIQENHK-ILXRZTDVSA-N 1 3 324.469 0.705 20 0 DCADHO CCN(CC[NH2+]CCc1ccnn1C)C(=O)[C@H]1CCCN1C ZINC001273547217 947952446 /nfs/dbraw/zinc/95/24/46/947952446.db2.gz XKZSHWIBCBPRKI-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCOCCOC)C1 ZINC001193640193 948011752 /nfs/dbraw/zinc/01/17/52/948011752.db2.gz DMYLZJSCYGAQHC-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCOC)C1 ZINC001193640193 948011761 /nfs/dbraw/zinc/01/17/61/948011761.db2.gz DMYLZJSCYGAQHC-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO C[C@H]1[C@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001488158895 948577586 /nfs/dbraw/zinc/57/75/86/948577586.db2.gz YXAVYOWHXWNHOC-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@@H](O)C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001273894445 948667191 /nfs/dbraw/zinc/66/71/91/948667191.db2.gz KZFPZVOKMVJONS-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488915660 949331348 /nfs/dbraw/zinc/33/13/48/949331348.db2.gz GLOVJBPBZOWCLB-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001265137372 949353581 /nfs/dbraw/zinc/35/35/81/949353581.db2.gz SUMKINWZWNQQAS-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001489238247 949658769 /nfs/dbraw/zinc/65/87/69/949658769.db2.gz JCLWSQYIGHCQDE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266216373 950479003 /nfs/dbraw/zinc/47/90/03/950479003.db2.gz RLMIBSNAESGHCG-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266216373 950479015 /nfs/dbraw/zinc/47/90/15/950479015.db2.gz RLMIBSNAESGHCG-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1=CC[N@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001279636079 950649576 /nfs/dbraw/zinc/64/95/76/950649576.db2.gz HJGZRMFFSJMQRC-CABCVRRESA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@@H](C(=O)NCC1=CC[N@@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001279636079 950649590 /nfs/dbraw/zinc/64/95/90/950649590.db2.gz HJGZRMFFSJMQRC-CABCVRRESA-N 1 3 313.442 0.082 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001331514336 951152089 /nfs/dbraw/zinc/15/20/89/951152089.db2.gz FAAGZGWYRGLICT-UHFFFAOYSA-N 1 3 320.437 0.560 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCOCC(F)F)CCN1C(=O)Cc1c[nH]cn1 ZINC001331919234 951389226 /nfs/dbraw/zinc/38/92/26/951389226.db2.gz OVDIVNGHSGDNBH-PWSUYJOCSA-N 1 3 316.352 0.813 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CCCCC1 ZINC001332206060 951519860 /nfs/dbraw/zinc/51/98/60/951519860.db2.gz GSQLZSJTHPCOOS-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO CCOCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001281627847 951564961 /nfs/dbraw/zinc/56/49/61/951564961.db2.gz YQFHIRPRQGSFMU-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO COCC[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001281627456 951565824 /nfs/dbraw/zinc/56/58/24/951565824.db2.gz QMAFEMOAKCXLDL-CQSZACIVSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001365824050 951584592 /nfs/dbraw/zinc/58/45/92/951584592.db2.gz BLURYMPUIMGGDK-LXTVHRRPSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C=CCC1 ZINC001332986943 951873768 /nfs/dbraw/zinc/87/37/68/951873768.db2.gz HPPBKTFZXVGKQL-CQSZACIVSA-N 1 3 310.442 0.021 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC001333626535 952119297 /nfs/dbraw/zinc/11/92/97/952119297.db2.gz RUEFNEYDFSLFNH-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)CN(C)C2CC2)C[C@H](C)O1 ZINC001336764488 952762037 /nfs/dbraw/zinc/76/20/37/952762037.db2.gz YKZNEBGDYMZYMT-HLLBOEOZSA-N 1 3 313.486 0.921 20 0 DCADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c(=O)[nH]c1=O ZINC001276111218 952919919 /nfs/dbraw/zinc/91/99/19/952919919.db2.gz XDGPOBXFQUZAFX-BETUJISGSA-N 1 3 307.398 0.098 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC(N[C@@H]4CCOC4)C3)C[N@@H+]2C1 ZINC001412704796 953007152 /nfs/dbraw/zinc/00/71/52/953007152.db2.gz YNSHWWIWIKCOMD-KQTLUZQSSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC(N[C@@H]4CCOC4)C3)C[N@H+]2C1 ZINC001412704796 953007154 /nfs/dbraw/zinc/00/71/54/953007154.db2.gz YNSHWWIWIKCOMD-KQTLUZQSSA-N 1 3 307.438 0.696 20 0 DCADHO CN(CCC[NH2+]C[C@H]1CCc2ncnn21)C(=O)Cc1c[nH]cn1 ZINC001276245261 953028824 /nfs/dbraw/zinc/02/88/24/953028824.db2.gz CQGOVFXRPRWGTQ-CYBMUJFWSA-N 1 3 317.397 0.169 20 0 DCADHO CCOCCCNC(=O)C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001339914204 953130476 /nfs/dbraw/zinc/13/04/76/953130476.db2.gz MINCTMXODXXKRP-KKUMJFAQSA-N 1 3 313.442 0.092 20 0 DCADHO CN(C)Cc1cccc(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)c1 ZINC001343392019 953343734 /nfs/dbraw/zinc/34/37/34/953343734.db2.gz OLRUPWOPPBODCI-OAHLLOKOSA-N 1 3 318.421 0.884 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCOCC1CC1 ZINC001282477575 953601147 /nfs/dbraw/zinc/60/11/47/953601147.db2.gz KIPCZTXZFUMXDJ-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]C[C@@H]2CCOC2)C2CC2)CCC1 ZINC001366041834 953616085 /nfs/dbraw/zinc/61/60/85/953616085.db2.gz YEYSECKVFCUIPP-DZGCQCFKSA-N 1 3 309.454 0.992 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]C[C@H]2CCOC2)C2CC2)CCC1 ZINC001366041843 953616452 /nfs/dbraw/zinc/61/64/52/953616452.db2.gz YEYSECKVFCUIPP-HIFRSBDPSA-N 1 3 309.454 0.992 20 0 DCADHO CCN(CC)C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366079324 953658273 /nfs/dbraw/zinc/65/82/73/953658273.db2.gz PFOYHDSRFWKOPL-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366079324 953658283 /nfs/dbraw/zinc/65/82/83/953658283.db2.gz PFOYHDSRFWKOPL-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC1CC1)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366093887 953674251 /nfs/dbraw/zinc/67/42/51/953674251.db2.gz TUYGPOKLUUNPGL-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001366101371 953685326 /nfs/dbraw/zinc/68/53/26/953685326.db2.gz HESONQGKXPPBIG-DZGCQCFKSA-N 1 3 310.442 0.042 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001366104648 953690225 /nfs/dbraw/zinc/69/02/25/953690225.db2.gz TZYYFPUQAIUQFM-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001366160481 953758137 /nfs/dbraw/zinc/75/81/37/953758137.db2.gz FQZZXFUVAPASKR-FQUUOJAGSA-N 1 3 312.458 0.286 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NCC(C)(C)C ZINC001366319488 954017313 /nfs/dbraw/zinc/01/73/13/954017313.db2.gz CQUXQWZZDDWUBA-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001366365423 954103747 /nfs/dbraw/zinc/10/37/47/954103747.db2.gz WNMKUVVERMRNOU-CMPLNLGQSA-N 1 3 317.397 0.134 20 0 DCADHO C[C@H](CCC[NH2+][C@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001283184417 954109527 /nfs/dbraw/zinc/10/95/27/954109527.db2.gz BABGLQWKRAYCBI-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001366380864 954125991 /nfs/dbraw/zinc/12/59/91/954125991.db2.gz IVAMJSGZBISUHN-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1)[NH+](C)C ZINC001366381865 954128754 /nfs/dbraw/zinc/12/87/54/954128754.db2.gz KMHHDLYEZQUYLK-BBRMVZONSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001366415622 954170674 /nfs/dbraw/zinc/17/06/74/954170674.db2.gz ZRJGJQHBTXOMFR-OLZOCXBDSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001366432605 954190805 /nfs/dbraw/zinc/19/08/05/954190805.db2.gz OGKSFAGPFDQFPN-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C1CC[NH+](C)CC1 ZINC001283276397 954208789 /nfs/dbraw/zinc/20/87/89/954208789.db2.gz SXVMEPZWISFRQZ-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)CCCC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001283702535 954547104 /nfs/dbraw/zinc/54/71/04/954547104.db2.gz MYMDXIDJTRAICA-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2CCn2cccn2)C1 ZINC001366665639 954613068 /nfs/dbraw/zinc/61/30/68/954613068.db2.gz FUUSJQDJOAMQLI-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2CCn2cccn2)C1 ZINC001366665639 954613076 /nfs/dbraw/zinc/61/30/76/954613076.db2.gz FUUSJQDJOAMQLI-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366707584 954687964 /nfs/dbraw/zinc/68/79/64/954687964.db2.gz PDVDPWBZAHSLFY-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366707584 954687969 /nfs/dbraw/zinc/68/79/69/954687969.db2.gz PDVDPWBZAHSLFY-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1C ZINC001284029286 954792142 /nfs/dbraw/zinc/79/21/42/954792142.db2.gz DNFMNBUTIMTFIU-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001366814945 954879550 /nfs/dbraw/zinc/87/95/50/954879550.db2.gz ATTIZPLQTHOBPS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001366814945 954879566 /nfs/dbraw/zinc/87/95/66/954879566.db2.gz ATTIZPLQTHOBPS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCN(CCN(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001366847192 954927247 /nfs/dbraw/zinc/92/72/47/954927247.db2.gz DANLOAKMIMBZEH-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(CN(C)CC(N)=O)CC1)[NH+](C)C ZINC001366876385 954977021 /nfs/dbraw/zinc/97/70/21/954977021.db2.gz BHPSGDZQMWYOLG-HNNXBMFYSA-N 1 3 312.458 0.228 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001350091177 954989261 /nfs/dbraw/zinc/98/92/61/954989261.db2.gz UDPFGSXQFZLLGE-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001284982792 955387081 /nfs/dbraw/zinc/38/70/81/955387081.db2.gz SUDOYJJLWGUNQL-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001367226687 955484964 /nfs/dbraw/zinc/48/49/64/955484964.db2.gz ARICMRGWIZUEJF-ZBFHGGJFSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ncn1)N(C)C ZINC001367276016 955573150 /nfs/dbraw/zinc/57/31/50/955573150.db2.gz ZHIGXTPELYFKQR-DOMZBBRYSA-N 1 3 307.442 0.967 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1)N(C)C ZINC001367325888 955647985 /nfs/dbraw/zinc/64/79/85/955647985.db2.gz ZTGRBJDVKWHHHW-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC1CCN(CC(=O)N2CC(CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001416118124 956718442 /nfs/dbraw/zinc/71/84/42/956718442.db2.gz AAGDQPWQVVVMMW-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CN1CCC[C@@H](NC(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001356585902 956903539 /nfs/dbraw/zinc/90/35/39/956903539.db2.gz OLITWHSYLOBHPH-OAHLLOKOSA-N 1 3 311.474 0.455 20 0 DCADHO [NH3+]CCCSCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001357384243 957261544 /nfs/dbraw/zinc/26/15/44/957261544.db2.gz IBZFEUDBHURAIS-OLZOCXBDSA-N 1 3 301.456 0.438 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001367514077 957941693 /nfs/dbraw/zinc/94/16/93/957941693.db2.gz ZDNZIHJQYLGXHZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001367514077 957941699 /nfs/dbraw/zinc/94/16/99/957941699.db2.gz ZDNZIHJQYLGXHZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC001367624166 958207415 /nfs/dbraw/zinc/20/74/15/958207415.db2.gz MYWKYZVWSJKICG-NSHDSACASA-N 1 3 316.352 0.373 20 0 DCADHO C[C@@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001367633709 958230144 /nfs/dbraw/zinc/23/01/44/958230144.db2.gz BZVHCPOJHXMRKS-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001367673613 958329702 /nfs/dbraw/zinc/32/97/02/958329702.db2.gz VDGUIRHKCQNBKF-ZWNOBZJWSA-N 1 3 311.382 0.691 20 0 DCADHO CCn1ncc(CNC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)n1 ZINC001367673803 958330546 /nfs/dbraw/zinc/33/05/46/958330546.db2.gz ADOZDHPJGDPEOG-GFCCVEGCSA-N 1 3 308.430 0.377 20 0 DCADHO CCn1ncc(CNC[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001367673803 958330562 /nfs/dbraw/zinc/33/05/62/958330562.db2.gz ADOZDHPJGDPEOG-GFCCVEGCSA-N 1 3 308.430 0.377 20 0 DCADHO CNC(=O)NCC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001367673530 958332315 /nfs/dbraw/zinc/33/23/15/958332315.db2.gz FDIYIDXLCSSKCO-BXUZGUMPSA-N 1 3 304.394 0.697 20 0 DCADHO C[C@H](CN[C@H]1CCN(C2CCC2)C1=O)NC(=O)CCC[NH+](C)C ZINC001367691208 958374966 /nfs/dbraw/zinc/37/49/66/958374966.db2.gz KQRJEMUVXBXXJY-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C[NH2+]Cc1cncn1C)NC(=O)CN(C)CC(C)(C)C ZINC001367694867 958384574 /nfs/dbraw/zinc/38/45/74/958384574.db2.gz JOWADANRUAYDFP-CYBMUJFWSA-N 1 3 309.458 0.992 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001367777877 958557021 /nfs/dbraw/zinc/55/70/21/958557021.db2.gz YRRDJVKMLXQAJG-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CCN(CC)CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001298412318 958590084 /nfs/dbraw/zinc/59/00/84/958590084.db2.gz DXIXQDSEMGUDAB-UZYOAWRESA-N 1 3 310.442 0.069 20 0 DCADHO CCN(CC)CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298412318 958590097 /nfs/dbraw/zinc/59/00/97/958590097.db2.gz DXIXQDSEMGUDAB-UZYOAWRESA-N 1 3 310.442 0.069 20 0 DCADHO CCN(CC)CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001298412315 958591127 /nfs/dbraw/zinc/59/11/27/958591127.db2.gz DXIXQDSEMGUDAB-AFNCTOJWSA-N 1 3 310.442 0.069 20 0 DCADHO CCN(CC)CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298412315 958591137 /nfs/dbraw/zinc/59/11/37/958591137.db2.gz DXIXQDSEMGUDAB-AFNCTOJWSA-N 1 3 310.442 0.069 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001362071664 958690782 /nfs/dbraw/zinc/69/07/82/958690782.db2.gz HFLRAOGUPOGOBH-HZPDHXFCSA-N 1 3 312.502 0.964 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)NC2CC2)C1 ZINC001376792416 958854169 /nfs/dbraw/zinc/85/41/69/958854169.db2.gz VKAXQMZUVDOTNV-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)NC2CC2)C1 ZINC001376792416 958854185 /nfs/dbraw/zinc/85/41/85/958854185.db2.gz VKAXQMZUVDOTNV-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001491578401 958873226 /nfs/dbraw/zinc/87/32/26/958873226.db2.gz DXPNAZQNWOJPOO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1 ZINC001367997337 959051831 /nfs/dbraw/zinc/05/18/31/959051831.db2.gz NMAOUNGOPUXBAI-UONOGXRCSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1 ZINC001367997337 959051848 /nfs/dbraw/zinc/05/18/48/959051848.db2.gz NMAOUNGOPUXBAI-UONOGXRCSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001376886111 959063188 /nfs/dbraw/zinc/06/31/88/959063188.db2.gz XFJSGUCNUNEXBH-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001376914909 959128792 /nfs/dbraw/zinc/12/87/92/959128792.db2.gz OUMZHSBEYZMQEN-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)C2CC2)C1 ZINC001376917653 959132431 /nfs/dbraw/zinc/13/24/31/959132431.db2.gz GUTFJVZTUZHGRB-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001368110001 959257854 /nfs/dbraw/zinc/25/78/54/959257854.db2.gz POPARMZFCDOKPX-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001491850702 959304175 /nfs/dbraw/zinc/30/41/75/959304175.db2.gz XANRJOUMJMGQRS-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO Cn1ccc(CN[C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001491886320 959352329 /nfs/dbraw/zinc/35/23/29/959352329.db2.gz MPHRYGJQLVDJNQ-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001368161965 959372567 /nfs/dbraw/zinc/37/25/67/959372567.db2.gz HHGWUZGTVLJWJT-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cnnn1C ZINC001377066048 959417412 /nfs/dbraw/zinc/41/74/12/959417412.db2.gz IQJOPRWHZBRTAZ-STQMWFEESA-N 1 3 308.430 0.141 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368193585 959433300 /nfs/dbraw/zinc/43/33/00/959433300.db2.gz GUAZKBQGJHNAMI-MRXNPFEDSA-N 1 3 321.425 0.259 20 0 DCADHO CCN1CCN(CCC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC001362532617 959537679 /nfs/dbraw/zinc/53/76/79/959537679.db2.gz GYYNSQOCSPMASC-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001362532617 959537686 /nfs/dbraw/zinc/53/76/86/959537686.db2.gz GYYNSQOCSPMASC-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001377278029 959845177 /nfs/dbraw/zinc/84/51/77/959845177.db2.gz OVHXRBCJBQTJBJ-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccnn2C)[C@@H](C)C1 ZINC001377280491 959848921 /nfs/dbraw/zinc/84/89/21/959848921.db2.gz HZNNZCRGNPIMEM-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001368570685 960045292 /nfs/dbraw/zinc/04/52/92/960045292.db2.gz QFLAIURCKFLHGD-MGPQQGTHSA-N 1 3 312.458 0.336 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368591381 960067994 /nfs/dbraw/zinc/06/79/94/960067994.db2.gz OQHYCRORWOTHBO-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001368657064 960129698 /nfs/dbraw/zinc/12/96/98/960129698.db2.gz XSIYJSJKJHGJCQ-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377597355 960337585 /nfs/dbraw/zinc/33/75/85/960337585.db2.gz JMNOQTSSXKHVIU-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377597355 960337594 /nfs/dbraw/zinc/33/75/94/960337594.db2.gz JMNOQTSSXKHVIU-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](NCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001377596515 960339378 /nfs/dbraw/zinc/33/93/78/960339378.db2.gz PFALSXIDOLWVJX-HNNXBMFYSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCn1cccn1 ZINC001368839830 960342162 /nfs/dbraw/zinc/34/21/62/960342162.db2.gz KIYKIKOPRMCNAK-ZIAGYGMSSA-N 1 3 307.442 0.850 20 0 DCADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)NC(C)(C)C ZINC001378294057 960518911 /nfs/dbraw/zinc/51/89/11/960518911.db2.gz FHDPOVVMPWDPFZ-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCN(CC)C1=O ZINC001378331259 960599342 /nfs/dbraw/zinc/59/93/42/960599342.db2.gz BHUYQJXFTUWJHB-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H]([NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1)C(N)=O ZINC001378366370 960656625 /nfs/dbraw/zinc/65/66/25/960656625.db2.gz AIRNHDPJONHVJA-CYBMUJFWSA-N 1 3 312.458 0.609 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001378403029 960705683 /nfs/dbraw/zinc/70/56/83/960705683.db2.gz KFDZJHBDOHGNRR-AWEZNQCLSA-N 1 3 322.453 0.222 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1cnnn1C)C1CC1 ZINC001378415583 960722615 /nfs/dbraw/zinc/72/26/15/960722615.db2.gz HOGUVSOQYCGLES-MRXNPFEDSA-N 1 3 322.457 0.530 20 0 DCADHO CCn1nncc1C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001378573204 961044905 /nfs/dbraw/zinc/04/49/05/961044905.db2.gz SEDHSTDFQJMMRU-CYBMUJFWSA-N 1 3 322.457 0.624 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC001549046855 1013246178 /nfs/dbraw/zinc/24/61/78/1013246178.db2.gz VEIXAHJFQMTQPL-CABCVRRESA-N 1 3 324.469 0.323 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@H]3[NH3+])C2)nn1 ZINC001549047256 1013248045 /nfs/dbraw/zinc/24/80/45/1013248045.db2.gz MHGRBSQSXCBDRV-MGPQQGTHSA-N 1 3 306.414 0.418 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001378834736 961567184 /nfs/dbraw/zinc/56/71/84/961567184.db2.gz QMYXUALDFDBVFP-XHDPSFHLSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001378834736 961567191 /nfs/dbraw/zinc/56/71/91/961567191.db2.gz QMYXUALDFDBVFP-XHDPSFHLSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378834736 961567201 /nfs/dbraw/zinc/56/72/01/961567201.db2.gz QMYXUALDFDBVFP-XHDPSFHLSA-N 1 3 316.421 0.121 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001378842729 961588647 /nfs/dbraw/zinc/58/86/47/961588647.db2.gz SJXDKSJMKHOPPN-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(CCN(C)CC(N)=O)CC1 ZINC001378914175 961698127 /nfs/dbraw/zinc/69/81/27/961698127.db2.gz FLISSBRAQZSURY-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(CCN(C)CC(N)=O)CC1 ZINC001378914175 961698135 /nfs/dbraw/zinc/69/81/35/961698135.db2.gz FLISSBRAQZSURY-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001378931567 961725258 /nfs/dbraw/zinc/72/52/58/961725258.db2.gz ZMNFUUBAHWMYNG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cnnn1C ZINC001378990186 961815724 /nfs/dbraw/zinc/81/57/24/961815724.db2.gz LSQONAPPFFVWAR-HNNXBMFYSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cnnn1C ZINC001378994963 961827150 /nfs/dbraw/zinc/82/71/50/961827150.db2.gz DYWLCRFMZWAJET-ZFWWWQNUSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cnnn1C ZINC001378994963 961827168 /nfs/dbraw/zinc/82/71/68/961827168.db2.gz DYWLCRFMZWAJET-ZFWWWQNUSA-N 1 3 322.457 0.387 20 0 DCADHO CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC001379725005 961867207 /nfs/dbraw/zinc/86/72/07/961867207.db2.gz HUMQKMGHSAPXDM-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001379024945 961904732 /nfs/dbraw/zinc/90/47/32/961904732.db2.gz NPWWAMCJWGLIQZ-OAHLLOKOSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CC[NH+](C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001363889541 962083735 /nfs/dbraw/zinc/08/37/35/962083735.db2.gz UZZCSWMYJMFJDK-ZDUSSCGKSA-N 1 3 300.447 0.053 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001379282557 962532206 /nfs/dbraw/zinc/53/22/06/962532206.db2.gz IKISUKKPEDZHGO-UONOGXRCSA-N 1 3 310.446 0.301 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@H]1CCCNC1=O ZINC001379317438 962610834 /nfs/dbraw/zinc/61/08/34/962610834.db2.gz DQQQGLZMVCPXJM-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001380176846 962832568 /nfs/dbraw/zinc/83/25/68/962832568.db2.gz XHCDNNLADFRVBT-IYXRBSQSSA-N 1 3 310.442 0.138 20 0 DCADHO COc1ncc(CNC[C@@H](C)NC(=O)CC[NH+](C)C)c(C)n1 ZINC001379418012 962882230 /nfs/dbraw/zinc/88/22/30/962882230.db2.gz KRWRQTVMBSNAPU-LLVKDONJSA-N 1 3 309.414 0.340 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001380288824 962996771 /nfs/dbraw/zinc/99/67/71/962996771.db2.gz YLZWECPNURZIOF-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001379483258 963025581 /nfs/dbraw/zinc/02/55/81/963025581.db2.gz ZJEVHRPGDBMLLO-BBRMVZONSA-N 1 3 315.433 0.676 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001379533369 963143324 /nfs/dbraw/zinc/14/33/24/963143324.db2.gz URRHHXNOHLHBBA-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NCC2CC2)CN1C(=O)CC[NH+](C)C ZINC001379593402 963234243 /nfs/dbraw/zinc/23/42/43/963234243.db2.gz HKFKVOCOCZBSDQ-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001380538767 963322457 /nfs/dbraw/zinc/32/24/57/963322457.db2.gz SOFZTSULMNOYBB-HOCLYGCPSA-N 1 3 315.433 0.773 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001380538767 963322472 /nfs/dbraw/zinc/32/24/72/963322472.db2.gz SOFZTSULMNOYBB-HOCLYGCPSA-N 1 3 315.433 0.773 20 0 DCADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](CC[C@H](C)F)C1 ZINC001380565038 963367572 /nfs/dbraw/zinc/36/75/72/963367572.db2.gz MLNKYOMMRHPOAO-DZGCQCFKSA-N 1 3 303.422 0.629 20 0 DCADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC[C@H](C)F)C1 ZINC001380565038 963367579 /nfs/dbraw/zinc/36/75/79/963367579.db2.gz MLNKYOMMRHPOAO-DZGCQCFKSA-N 1 3 303.422 0.629 20 0 DCADHO Cn1cncc1CN1C[C@@H]2C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001380655643 963465317 /nfs/dbraw/zinc/46/53/17/963465317.db2.gz AZHWJRFZYQUQGV-ZNMIVQPWSA-N 1 3 319.453 0.841 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001380873909 963648928 /nfs/dbraw/zinc/64/89/28/963648928.db2.gz QSSKYIQROPIJLI-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001380966549 963728398 /nfs/dbraw/zinc/72/83/98/963728398.db2.gz RPXDKGYXTWVKQE-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001380966549 963728406 /nfs/dbraw/zinc/72/84/06/963728406.db2.gz RPXDKGYXTWVKQE-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(C)C)C1 ZINC001381108662 963820078 /nfs/dbraw/zinc/82/00/78/963820078.db2.gz COEFXDPPTJAUCD-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(C)C)C1 ZINC001381108662 963820083 /nfs/dbraw/zinc/82/00/83/963820083.db2.gz COEFXDPPTJAUCD-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C)C1 ZINC001447540906 1013461616 /nfs/dbraw/zinc/46/16/16/1013461616.db2.gz NSIMNZMUZRCKLN-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C)C1 ZINC001447540906 1013461623 /nfs/dbraw/zinc/46/16/23/1013461623.db2.gz NSIMNZMUZRCKLN-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001375493232 964472402 /nfs/dbraw/zinc/47/24/02/964472402.db2.gz OEUGRLMSQFESBY-BYNSBNAKSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001375558628 964550756 /nfs/dbraw/zinc/55/07/56/964550756.db2.gz TXRAKSJQFBMIPU-MGPQQGTHSA-N 1 3 308.430 0.103 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001373794433 964640498 /nfs/dbraw/zinc/64/04/98/964640498.db2.gz XWHPIJDUCUGLMG-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)CC[N@@H+]1C ZINC001373853517 964718055 /nfs/dbraw/zinc/71/80/55/964718055.db2.gz GHLKWPVQINYVOY-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)CC[N@H+]1C ZINC001373853517 964718061 /nfs/dbraw/zinc/71/80/61/964718061.db2.gz GHLKWPVQINYVOY-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001373950220 964809994 /nfs/dbraw/zinc/80/99/94/964809994.db2.gz PFVIBXVEZCWBRP-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001373950220 964810003 /nfs/dbraw/zinc/81/00/03/964810003.db2.gz PFVIBXVEZCWBRP-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccnn1C ZINC001375769592 964817010 /nfs/dbraw/zinc/81/70/10/964817010.db2.gz ZMQBTUHGHQZLIB-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccnn1C ZINC001375769592 964817016 /nfs/dbraw/zinc/81/70/16/964817016.db2.gz ZMQBTUHGHQZLIB-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CC(C)(C)C2)C1 ZINC001369358585 964819180 /nfs/dbraw/zinc/81/91/80/964819180.db2.gz CYTUMRBEQKMZHT-DZGCQCFKSA-N 1 3 311.470 0.831 20 0 DCADHO C[C@@H]1C[C@H](NCc2cncn2C)CN1C(=O)CCC[NH+](C)C ZINC001369405671 964908989 /nfs/dbraw/zinc/90/89/89/964908989.db2.gz PMIULQDJDWXIMF-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001375876029 964953623 /nfs/dbraw/zinc/95/36/23/964953623.db2.gz WYTUEXFCGJUTQV-QGZVFWFLSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001374055418 964957892 /nfs/dbraw/zinc/95/78/92/964957892.db2.gz HEZMBYGWSLZUDX-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001374225965 965158474 /nfs/dbraw/zinc/15/84/74/965158474.db2.gz OVVCEBPTYYHKHS-SMDDNHRTSA-N 1 3 320.441 0.391 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001369548487 965161182 /nfs/dbraw/zinc/16/11/82/965161182.db2.gz BZKCVJUCRWWRHR-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001369548487 965161192 /nfs/dbraw/zinc/16/11/92/965161192.db2.gz BZKCVJUCRWWRHR-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374311523 965264191 /nfs/dbraw/zinc/26/41/91/965264191.db2.gz HGLXTPRAEWCULT-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374311523 965264205 /nfs/dbraw/zinc/26/42/05/965264205.db2.gz HGLXTPRAEWCULT-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCN(C)C(=O)CC[NH+](C)C)C[C@@H]1CCc2ncnn21 ZINC001374531615 965491450 /nfs/dbraw/zinc/49/14/50/965491450.db2.gz WWTGNFCWEXCOQC-ZDUSSCGKSA-N 1 3 308.430 0.107 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001376313465 965508444 /nfs/dbraw/zinc/50/84/44/965508444.db2.gz LBBWZQPWURCBQX-VNHYZAJKSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001376313465 965508452 /nfs/dbraw/zinc/50/84/52/965508452.db2.gz LBBWZQPWURCBQX-VNHYZAJKSA-N 1 3 322.453 0.138 20 0 DCADHO Cc1noc(CCC[N@@H+](C)CCN(C)C(=O)CN2CCCC2)n1 ZINC001374556817 965531333 /nfs/dbraw/zinc/53/13/33/965531333.db2.gz VFKHJCASVLJRDA-UHFFFAOYSA-N 1 3 323.441 0.797 20 0 DCADHO Cc1noc(CCC[N@H+](C)CCN(C)C(=O)CN2CCCC2)n1 ZINC001374556817 965531338 /nfs/dbraw/zinc/53/13/38/965531338.db2.gz VFKHJCASVLJRDA-UHFFFAOYSA-N 1 3 323.441 0.797 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001374670145 965734378 /nfs/dbraw/zinc/73/43/78/965734378.db2.gz MGZQJWNJYBVWMD-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001374670145 965734393 /nfs/dbraw/zinc/73/43/93/965734393.db2.gz MGZQJWNJYBVWMD-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001374693997 965769489 /nfs/dbraw/zinc/76/94/89/965769489.db2.gz YVDLTHJSVRMSLH-UHFFFAOYSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C(=O)C12CC[NH+](CC1)C2)C1CCN(CCO)CC1 ZINC001370107388 965784109 /nfs/dbraw/zinc/78/41/09/965784109.db2.gz KSNCNKKRKRQRJD-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001374739703 965844691 /nfs/dbraw/zinc/84/46/91/965844691.db2.gz PDMRMGXNJCEMIC-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001374739703 965844700 /nfs/dbraw/zinc/84/47/00/965844700.db2.gz PDMRMGXNJCEMIC-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001370285784 965962597 /nfs/dbraw/zinc/96/25/97/965962597.db2.gz XILZVTMBSLSBFW-DZGCQCFKSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001370285784 965962605 /nfs/dbraw/zinc/96/26/05/965962605.db2.gz XILZVTMBSLSBFW-DZGCQCFKSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374890737 966097189 /nfs/dbraw/zinc/09/71/89/966097189.db2.gz VQEUCGKHKKWSMX-GZBFAFLISA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374890737 966097201 /nfs/dbraw/zinc/09/72/01/966097201.db2.gz VQEUCGKHKKWSMX-GZBFAFLISA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001374898978 966113314 /nfs/dbraw/zinc/11/33/14/966113314.db2.gz QIHQARQGVKOMBT-BBRMVZONSA-N 1 3 322.453 0.566 20 0 DCADHO C[C@@H](CNCC(=O)N[C@@H](C)C1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001374960648 966177053 /nfs/dbraw/zinc/17/70/53/966177053.db2.gz CTUXZBWHGBCEDP-STQMWFEESA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCc1cccc(C(N)=O)c1 ZINC001381424084 966402589 /nfs/dbraw/zinc/40/25/89/966402589.db2.gz UTURWONACGBYFG-QWHCGFSZSA-N 1 3 320.437 0.720 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001447919800 1013649764 /nfs/dbraw/zinc/64/97/64/1013649764.db2.gz ZCDFWMNXVJZVND-VXGBXAGGSA-N 1 3 300.447 0.193 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001381464212 966439574 /nfs/dbraw/zinc/43/95/74/966439574.db2.gz VPOPJXWZQBYLDJ-WLYUNCDWSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001381484661 966452163 /nfs/dbraw/zinc/45/21/63/966452163.db2.gz HCKAYTSLLSFJLR-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001381484661 966452170 /nfs/dbraw/zinc/45/21/70/966452170.db2.gz HCKAYTSLLSFJLR-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001370843192 966530651 /nfs/dbraw/zinc/53/06/51/966530651.db2.gz XWPJPSPLGHKDOW-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001370968451 966629475 /nfs/dbraw/zinc/62/94/75/966629475.db2.gz UUFZLENBJQOFHC-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)on1 ZINC001381963894 966820907 /nfs/dbraw/zinc/82/09/07/966820907.db2.gz AQZKMMQCQPYNCA-HAQNSBGRSA-N 1 3 310.398 0.619 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001381988542 966845930 /nfs/dbraw/zinc/84/59/30/966845930.db2.gz MCWDLVOHKALVIC-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001381988542 966845932 /nfs/dbraw/zinc/84/59/32/966845932.db2.gz MCWDLVOHKALVIC-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001382091949 966931304 /nfs/dbraw/zinc/93/13/04/966931304.db2.gz NXBSACZRUSWZHH-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N(C)C1CC1 ZINC001371379866 966945220 /nfs/dbraw/zinc/94/52/20/966945220.db2.gz DQIRDXRJYPFPBS-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001382125767 966962906 /nfs/dbraw/zinc/96/29/06/966962906.db2.gz UKUZDSMDTKRHGE-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001382136565 966971958 /nfs/dbraw/zinc/97/19/58/966971958.db2.gz WUWZLAZJQVJEEA-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001382151724 966985838 /nfs/dbraw/zinc/98/58/38/966985838.db2.gz KLTUYNBGFXZQIL-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001382151724 966985843 /nfs/dbraw/zinc/98/58/43/966985843.db2.gz KLTUYNBGFXZQIL-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001382197195 967050616 /nfs/dbraw/zinc/05/06/16/967050616.db2.gz VHKDKPWIEWTASU-GFCCVEGCSA-N 1 3 323.441 0.566 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001371538221 967095497 /nfs/dbraw/zinc/09/54/97/967095497.db2.gz FEWXIVDWSAJGNN-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001371538221 967095510 /nfs/dbraw/zinc/09/55/10/967095510.db2.gz FEWXIVDWSAJGNN-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1C[C@H](NCc2ccnn2C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001382319372 967213937 /nfs/dbraw/zinc/21/39/37/967213937.db2.gz SHYWUORTXHEVIC-KBPBESRZSA-N 1 3 319.453 0.841 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)[C@@H]2C1 ZINC001382327427 967224353 /nfs/dbraw/zinc/22/43/53/967224353.db2.gz GJDBZYWEKNFNPT-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CNCc1cnnn1C)C(C)(C)C ZINC001382537721 967478998 /nfs/dbraw/zinc/47/89/98/967478998.db2.gz CUOBEORQHGNHQZ-CQSZACIVSA-N 1 3 324.473 0.777 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CNCc1cnnn1C)C(C)(C)C ZINC001382537721 967479003 /nfs/dbraw/zinc/47/90/03/967479003.db2.gz CUOBEORQHGNHQZ-CQSZACIVSA-N 1 3 324.473 0.777 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001382590655 967525520 /nfs/dbraw/zinc/52/55/20/967525520.db2.gz RXHHATLCKAVZLF-YMAMQOFZSA-N 1 3 324.469 0.526 20 0 DCADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)N(C)C)C2)CC1 ZINC001382593237 967526587 /nfs/dbraw/zinc/52/65/87/967526587.db2.gz WYGRSJORRKDCFC-UHFFFAOYSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001372288376 967847030 /nfs/dbraw/zinc/84/70/30/967847030.db2.gz QHEYVQGNXJNSFM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383008759 967848804 /nfs/dbraw/zinc/84/88/04/967848804.db2.gz JKCGEHXEOHDMAH-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383008759 967848819 /nfs/dbraw/zinc/84/88/19/967848819.db2.gz JKCGEHXEOHDMAH-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001372914158 968524684 /nfs/dbraw/zinc/52/46/84/968524684.db2.gz FZAHVZSKYHSXSN-MJBXVCDLSA-N 1 3 314.474 0.534 20 0 DCADHO C[C@@H]1CC[C@@H](CN2CC(CNC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001373532258 969193331 /nfs/dbraw/zinc/19/33/31/969193331.db2.gz PUVMHSBOUWAZQL-HIFRSBDPSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001373536790 969205300 /nfs/dbraw/zinc/20/53/00/969205300.db2.gz HRBZODLOWIGCOH-HUUCEWRRSA-N 1 3 309.454 0.803 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001431270476 1013973905 /nfs/dbraw/zinc/97/39/05/1013973905.db2.gz NSQVNNAHKRFOMA-HNNXBMFYSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001448660821 1013986779 /nfs/dbraw/zinc/98/67/79/1013986779.db2.gz UPYFLJATNMVPRM-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001448660821 1013986781 /nfs/dbraw/zinc/98/67/81/1013986781.db2.gz UPYFLJATNMVPRM-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO COc1cccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001448946264 1014104404 /nfs/dbraw/zinc/10/44/04/1014104404.db2.gz AMUQPOGOPHZRRB-GJZGRUSLSA-N 1 3 321.421 0.214 20 0 DCADHO COc1cccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001448946264 1014104406 /nfs/dbraw/zinc/10/44/06/1014104406.db2.gz AMUQPOGOPHZRRB-GJZGRUSLSA-N 1 3 321.421 0.214 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@H]3CNCCO3)CC2)C1 ZINC001549049123 1014123619 /nfs/dbraw/zinc/12/36/19/1014123619.db2.gz HKYVYLHILNTSNR-QLFBSQMISA-N 1 3 311.426 0.110 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)C[C@@H]1C ZINC001449021223 1014139756 /nfs/dbraw/zinc/13/97/56/1014139756.db2.gz QSSBWRJSMBUJLW-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001549153900 1014154598 /nfs/dbraw/zinc/15/45/98/1014154598.db2.gz BSKJJOJFHJOHRM-QKPAOTATSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001549153900 1014154601 /nfs/dbraw/zinc/15/46/01/1014154601.db2.gz BSKJJOJFHJOHRM-QKPAOTATSA-N 1 3 322.453 0.464 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001449079483 1014172680 /nfs/dbraw/zinc/17/26/80/1014172680.db2.gz ROZBKBAQHLJHMO-UHFFFAOYSA-N 1 3 321.425 0.177 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3CC[NH2+]C[C@H]3F)C2)nn1 ZINC001549292424 1014197686 /nfs/dbraw/zinc/19/76/86/1014197686.db2.gz CCOOHENHGJHWAA-MRVWCRGKSA-N 1 3 324.404 0.238 20 0 DCADHO CN(C[C@H](O)CNCc1cncs1)C(=O)C12CC[NH+](CC1)C2 ZINC001449159939 1014253645 /nfs/dbraw/zinc/25/36/45/1014253645.db2.gz MGSNVNKONMMCSQ-GFCCVEGCSA-N 1 3 324.450 0.148 20 0 DCADHO O=C(Nc1cn[nH]c1[C@@H]1CC[NH2+]C1)[C@H]1CCc2nccn2C1 ZINC001549738708 1014435550 /nfs/dbraw/zinc/43/55/50/1014435550.db2.gz UDYVLFRKBNLWCN-MNOVXSKESA-N 1 3 300.366 0.884 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1)N(C)C ZINC001449391157 1014455292 /nfs/dbraw/zinc/45/52/92/1014455292.db2.gz YTHKVSCZVZUAQM-NRXISQOPSA-N 1 3 322.457 0.443 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001529407062 1014546323 /nfs/dbraw/zinc/54/63/23/1014546323.db2.gz ZWWGWKJFTMZZIR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001550200341 1014624760 /nfs/dbraw/zinc/62/47/60/1014624760.db2.gz IEUHABPGZSDASG-KGLIPLIRSA-N 1 3 322.453 0.446 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202434 1014626651 /nfs/dbraw/zinc/62/66/51/1014626651.db2.gz MGHMPPVJBDLBSI-ZIAGYGMSSA-N 1 3 322.453 0.174 20 0 DCADHO [NH3+][C@@H]1COCC[C@@H]1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC001550265430 1014641410 /nfs/dbraw/zinc/64/14/10/1014641410.db2.gz GTRXBMZQROYGNZ-QLFBSQMISA-N 1 3 304.394 0.289 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001550290478 1014656640 /nfs/dbraw/zinc/65/66/40/1014656640.db2.gz LCLXEBXLFWWPRB-JYJNAYRXSA-N 1 3 300.406 0.704 20 0 DCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cnnn1C)[C@@H](O)C2 ZINC001550521494 1014741944 /nfs/dbraw/zinc/74/19/44/1014741944.db2.gz LASPEEVHNBOZPH-URLPEUOOSA-N 1 3 307.442 0.945 20 0 DCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cnnn1C)[C@@H](O)C2 ZINC001550521494 1014741956 /nfs/dbraw/zinc/74/19/56/1014741956.db2.gz LASPEEVHNBOZPH-URLPEUOOSA-N 1 3 307.442 0.945 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449924167 1014787984 /nfs/dbraw/zinc/78/79/84/1014787984.db2.gz MWAICANWPLFTTK-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449924167 1014787994 /nfs/dbraw/zinc/78/79/94/1014787994.db2.gz MWAICANWPLFTTK-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001550771930 1014858222 /nfs/dbraw/zinc/85/82/22/1014858222.db2.gz QREYXKFTFRZYOK-HNNXBMFYSA-N 1 3 324.469 0.882 20 0 DCADHO C[NH+](C)CCNC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551288836 1015011346 /nfs/dbraw/zinc/01/13/46/1015011346.db2.gz QBEZQHNNCXSSLF-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551465539 1015101971 /nfs/dbraw/zinc/10/19/71/1015101971.db2.gz MSKHEKGFMZZKOC-UONOGXRCSA-N 1 3 322.453 0.681 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@@H](CC)N(C)C ZINC001531322331 1015142654 /nfs/dbraw/zinc/14/26/54/1015142654.db2.gz FHWAKABHTRCIFQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@@H]3[C@H]1CCCN3CCO)C2 ZINC001551572611 1015144202 /nfs/dbraw/zinc/14/42/02/1015144202.db2.gz ZVBKXMAKWSXONH-NTTUHNMPSA-N 1 3 308.426 0.107 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001525478550 1015150636 /nfs/dbraw/zinc/15/06/36/1015150636.db2.gz QIWPQZPSFSAXRW-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001525478550 1015150642 /nfs/dbraw/zinc/15/06/42/1015150642.db2.gz QIWPQZPSFSAXRW-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC001385012611 986020440 /nfs/dbraw/zinc/02/04/40/986020440.db2.gz TXIWWHSBJXIKOA-MCIONIFRSA-N 1 3 319.409 0.152 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001385085177 986079431 /nfs/dbraw/zinc/07/94/31/986079431.db2.gz ZTJKXJCNDBLSEK-OCCSQVGLSA-N 1 3 321.425 0.400 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001385886756 986658960 /nfs/dbraw/zinc/65/89/60/986658960.db2.gz PQXPNMGOELUWGQ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001387025319 987569433 /nfs/dbraw/zinc/56/94/33/987569433.db2.gz BWUNJCYNZBTWNO-ZIAGYGMSSA-N 1 3 314.474 0.487 20 0 DCADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552218063 1015334733 /nfs/dbraw/zinc/33/47/33/1015334733.db2.gz KZGBZKFSWCCORB-UKPHBRMFSA-N 1 3 317.389 0.522 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001387947539 988313982 /nfs/dbraw/zinc/31/39/82/988313982.db2.gz AMDSCIMBRNCLEW-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001387947539 988313993 /nfs/dbraw/zinc/31/39/93/988313993.db2.gz AMDSCIMBRNCLEW-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NCC(=O)Nc2ccon2)C1 ZINC001388683975 988507163 /nfs/dbraw/zinc/50/71/63/988507163.db2.gz ABVRVKAERIMTJT-TXEJJXNPSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001388723123 988539395 /nfs/dbraw/zinc/53/93/95/988539395.db2.gz WTSFXIUJBMKHFJ-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](CCO)CCCF)C1)N(C)C ZINC001388779421 988586539 /nfs/dbraw/zinc/58/65/39/988586539.db2.gz OYECNMNQTJIBSN-LSDHHAIUSA-N 1 3 317.449 0.972 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](CCO)CCCF)C1)N(C)C ZINC001388779421 988586542 /nfs/dbraw/zinc/58/65/42/988586542.db2.gz OYECNMNQTJIBSN-LSDHHAIUSA-N 1 3 317.449 0.972 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001389205427 988982162 /nfs/dbraw/zinc/98/21/62/988982162.db2.gz YUTOHAJTPUNVAX-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001450929159 1015457750 /nfs/dbraw/zinc/45/77/50/1015457750.db2.gz GOFKDWQAEVATLT-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001450929159 1015457759 /nfs/dbraw/zinc/45/77/59/1015457759.db2.gz GOFKDWQAEVATLT-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001389503541 989340591 /nfs/dbraw/zinc/34/05/91/989340591.db2.gz FILNFKNVQDUWFU-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cnn3c2CNCC3)CC1 ZINC001552687559 1015491130 /nfs/dbraw/zinc/49/11/30/1015491130.db2.gz RSQZIYPZALJJGN-ZBFHGGJFSA-N 1 3 305.426 0.315 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001389890832 989667495 /nfs/dbraw/zinc/66/74/95/989667495.db2.gz LUQDHNYUQOZJBB-HDJSIYSDSA-N 1 3 322.457 0.685 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001389890832 989667500 /nfs/dbraw/zinc/66/75/00/989667500.db2.gz LUQDHNYUQOZJBB-HDJSIYSDSA-N 1 3 322.457 0.685 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001389909121 989676518 /nfs/dbraw/zinc/67/65/18/989676518.db2.gz SMMOMAOLVCACHJ-JOCQHMNTSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001450982725 1015501452 /nfs/dbraw/zinc/50/14/52/1015501452.db2.gz YTCGXHPHOGHCBU-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001389979485 989726602 /nfs/dbraw/zinc/72/66/02/989726602.db2.gz OGAVFSSXDCCRSY-QLFBSQMISA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001389984559 989728988 /nfs/dbraw/zinc/72/89/88/989728988.db2.gz GPCVVPJKQUXHID-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001389984559 989728992 /nfs/dbraw/zinc/72/89/92/989728992.db2.gz GPCVVPJKQUXHID-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001390081679 989801460 /nfs/dbraw/zinc/80/14/60/989801460.db2.gz WCXGSJYIPLQVGA-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390081679 989801467 /nfs/dbraw/zinc/80/14/67/989801467.db2.gz WCXGSJYIPLQVGA-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](NC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1nncn1C ZINC001390091273 989813012 /nfs/dbraw/zinc/81/30/12/989813012.db2.gz HNFITRQJEZTPND-UONOGXRCSA-N 1 3 322.457 0.656 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001390144926 989865933 /nfs/dbraw/zinc/86/59/33/989865933.db2.gz LACLROBJUGZHTA-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001552766695 1015520364 /nfs/dbraw/zinc/52/03/64/1015520364.db2.gz HERCWESWODRSQC-HUUCEWRRSA-N 1 3 309.458 0.112 20 0 DCADHO CN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001552766695 1015520374 /nfs/dbraw/zinc/52/03/74/1015520374.db2.gz HERCWESWODRSQC-HUUCEWRRSA-N 1 3 309.458 0.112 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001390255905 989941303 /nfs/dbraw/zinc/94/13/03/989941303.db2.gz SDCFZOSQHBGJOU-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC001552768085 1015524442 /nfs/dbraw/zinc/52/44/42/1015524442.db2.gz QUYVIJANQTWUJM-GDBMZVCRSA-N 1 3 321.469 0.254 20 0 DCADHO CN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC001552768085 1015524454 /nfs/dbraw/zinc/52/44/54/1015524454.db2.gz QUYVIJANQTWUJM-GDBMZVCRSA-N 1 3 321.469 0.254 20 0 DCADHO CN1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC001552768087 1015525986 /nfs/dbraw/zinc/52/59/86/1015525986.db2.gz QUYVIJANQTWUJM-HOCLYGCPSA-N 1 3 321.469 0.254 20 0 DCADHO CN1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC001552768087 1015525997 /nfs/dbraw/zinc/52/59/97/1015525997.db2.gz QUYVIJANQTWUJM-HOCLYGCPSA-N 1 3 321.469 0.254 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCCCC1 ZINC001390559873 990199500 /nfs/dbraw/zinc/19/95/00/990199500.db2.gz IUDHQQLWRLWBAN-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO O=C(CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)N1CCC1 ZINC001390575499 990211953 /nfs/dbraw/zinc/21/19/53/990211953.db2.gz OIYNOJNXIPHZHJ-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001390667782 990289135 /nfs/dbraw/zinc/28/91/35/990289135.db2.gz WYCDKGUWXICIJX-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCNC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001552956674 1015575602 /nfs/dbraw/zinc/57/56/02/1015575602.db2.gz UKKWVNNEEZHBLK-KBPBESRZSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCC[C@H]1CCNC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001552956674 1015575611 /nfs/dbraw/zinc/57/56/11/1015575611.db2.gz UKKWVNNEEZHBLK-KBPBESRZSA-N 1 3 321.429 0.178 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCNC1=O ZINC001391696026 991107337 /nfs/dbraw/zinc/10/73/37/991107337.db2.gz LHHPGCVYKAEMAL-KGLIPLIRSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001391698904 991110130 /nfs/dbraw/zinc/11/01/30/991110130.db2.gz UXFREWCXALBIGA-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001391860661 991230606 /nfs/dbraw/zinc/23/06/06/991230606.db2.gz DCAQKRQHCYYTQS-CYBMUJFWSA-N 1 3 320.441 0.536 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392137471 991535734 /nfs/dbraw/zinc/53/57/34/991535734.db2.gz YOCYMDNURVNTHB-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392137471 991535743 /nfs/dbraw/zinc/53/57/43/991535743.db2.gz YOCYMDNURVNTHB-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001392392880 991862880 /nfs/dbraw/zinc/86/28/80/991862880.db2.gz YGMOQTWOQSERQV-HOTGVXAUSA-N 1 3 322.453 0.543 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001392478783 991982889 /nfs/dbraw/zinc/98/28/89/991982889.db2.gz ATGKMLWAXMIOQJ-TZMCWYRMSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001392478783 991982895 /nfs/dbraw/zinc/98/28/95/991982895.db2.gz ATGKMLWAXMIOQJ-TZMCWYRMSA-N 1 3 310.442 0.232 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001392480103 991985954 /nfs/dbraw/zinc/98/59/54/991985954.db2.gz MYIUNQLUUIUVRC-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001392480103 991985961 /nfs/dbraw/zinc/98/59/61/991985961.db2.gz MYIUNQLUUIUVRC-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C(C)C)[NH+](C)C ZINC001392481878 991987943 /nfs/dbraw/zinc/98/79/43/991987943.db2.gz CDEXWKHLAFYHAB-HIFRSBDPSA-N 1 3 314.474 0.534 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392575948 992117953 /nfs/dbraw/zinc/11/79/53/992117953.db2.gz UNAPSJBTKUWIPD-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCc1ccccn1)NC(=O)COC1CC[NH+](C)CC1 ZINC001392606816 992153783 /nfs/dbraw/zinc/15/37/83/992153783.db2.gz ZSUBOVHOFPAFHD-AWEZNQCLSA-N 1 3 320.437 0.787 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)CN2CCOCC2)on1 ZINC001392618351 992165037 /nfs/dbraw/zinc/16/50/37/992165037.db2.gz VNFARXNGLLVHQW-JSGCOSHPSA-N 1 3 324.425 0.546 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001392770706 992371933 /nfs/dbraw/zinc/37/19/33/992371933.db2.gz DOYFAIWNNGGJNN-RISCZKNCSA-N 1 3 310.442 0.090 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001392775125 992379837 /nfs/dbraw/zinc/37/98/37/992379837.db2.gz RSVRQEFDUVFEOB-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001392790396 992400521 /nfs/dbraw/zinc/40/05/21/992400521.db2.gz XPFAXAOQLDVEQX-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001393042044 992645348 /nfs/dbraw/zinc/64/53/48/992645348.db2.gz AWINCTVCDHZVFI-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)[C@H](C)C1 ZINC001393788942 993255522 /nfs/dbraw/zinc/25/55/22/993255522.db2.gz QMUBVGWJACEPNB-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)[C@H](C)C1 ZINC001393788942 993255525 /nfs/dbraw/zinc/25/55/25/993255525.db2.gz QMUBVGWJACEPNB-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCC(=O)N1CCC1 ZINC001393961610 993375266 /nfs/dbraw/zinc/37/52/66/993375266.db2.gz IBAHHVNJMVLWJA-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC(=O)NCC1CC1 ZINC001393983521 993391580 /nfs/dbraw/zinc/39/15/80/993391580.db2.gz ZQUUODYYNARVCI-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)CCn1cncn1 ZINC001394126646 993499009 /nfs/dbraw/zinc/49/90/09/993499009.db2.gz WEXBZXKWWQVGFZ-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CCn1cncn1 ZINC001394126646 993499014 /nfs/dbraw/zinc/49/90/14/993499014.db2.gz WEXBZXKWWQVGFZ-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCCC1)N(C)C ZINC001394197803 993537005 /nfs/dbraw/zinc/53/70/05/993537005.db2.gz RVMKBRCCLNDQRI-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C[C@@H]1C ZINC001394672789 994004915 /nfs/dbraw/zinc/00/49/15/994004915.db2.gz SIZKBWYQWFEIOA-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001399985942 994022224 /nfs/dbraw/zinc/02/22/24/994022224.db2.gz MOEUUCOTENAIBE-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CCCC[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001400057429 994112639 /nfs/dbraw/zinc/11/26/39/994112639.db2.gz VYCDDIWMUAEHJZ-MGPQQGTHSA-N 1 3 312.458 0.419 20 0 DCADHO CCCC[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001400057429 994112644 /nfs/dbraw/zinc/11/26/44/994112644.db2.gz VYCDDIWMUAEHJZ-MGPQQGTHSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001400086096 994143350 /nfs/dbraw/zinc/14/33/50/994143350.db2.gz MLMPMIKRUSUPTK-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001400086096 994143361 /nfs/dbraw/zinc/14/33/61/994143361.db2.gz MLMPMIKRUSUPTK-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC001394784958 994146923 /nfs/dbraw/zinc/14/69/23/994146923.db2.gz AZNLEBXEOSGDDK-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC001394784958 994146931 /nfs/dbraw/zinc/14/69/31/994146931.db2.gz AZNLEBXEOSGDDK-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H](CN[C@@H]2CCNC2=O)C(C)(C)C)CC1 ZINC001394829834 994191956 /nfs/dbraw/zinc/19/19/56/994191956.db2.gz INNIRWZQRBUJLD-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001400237057 994320368 /nfs/dbraw/zinc/32/03/68/994320368.db2.gz LGQGVCKDSURLFB-KBPBESRZSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001395110962 994439328 /nfs/dbraw/zinc/43/93/28/994439328.db2.gz PZQKWLQWMMLCJU-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001395159346 994478247 /nfs/dbraw/zinc/47/82/47/994478247.db2.gz ZYGPGUONSSUDNN-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CN1CC[C@H](C)C1 ZINC001400496858 994586509 /nfs/dbraw/zinc/58/65/09/994586509.db2.gz CFYLAGPMOKNTRC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CN1CC[C@H](C)C1 ZINC001400496858 994586518 /nfs/dbraw/zinc/58/65/18/994586518.db2.gz CFYLAGPMOKNTRC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001507024499 1015897240 /nfs/dbraw/zinc/89/72/40/1015897240.db2.gz WTZTTZCQZODZNQ-OAHLLOKOSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C2CC2)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001507022843 1015898243 /nfs/dbraw/zinc/89/82/43/1015898243.db2.gz NWHVQQVPEAXMEJ-RISCZKNCSA-N 1 3 322.457 0.952 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001400901635 995050616 /nfs/dbraw/zinc/05/06/16/995050616.db2.gz RWTYNSHCNYABJS-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001400901635 995050625 /nfs/dbraw/zinc/05/06/25/995050625.db2.gz RWTYNSHCNYABJS-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507037953 1015911902 /nfs/dbraw/zinc/91/19/02/1015911902.db2.gz WSPITWLVGJHNQV-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507037953 1015911907 /nfs/dbraw/zinc/91/19/07/1015911907.db2.gz WSPITWLVGJHNQV-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)C1=O ZINC001401089469 995165804 /nfs/dbraw/zinc/16/58/04/995165804.db2.gz XXVNBSMTTDNNQX-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001401113292 995190149 /nfs/dbraw/zinc/19/01/49/995190149.db2.gz GTZIMBWIKFJZBN-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)CCCS(=O)(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001464587717 1015925556 /nfs/dbraw/zinc/92/55/56/1015925556.db2.gz KLOCAAWTYLXGML-STQMWFEESA-N 1 3 303.472 0.730 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001397137908 995818737 /nfs/dbraw/zinc/81/87/37/995818737.db2.gz WOMDJEDKVRFIJE-KKUMJFAQSA-N 1 3 307.442 0.708 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001397614999 996098735 /nfs/dbraw/zinc/09/87/35/996098735.db2.gz ZACGSBASSUCBJF-GASCZTMLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1)C(N)=O ZINC001397667565 996123607 /nfs/dbraw/zinc/12/36/07/996123607.db2.gz QWJBJXVPUHCPSL-MGPQQGTHSA-N 1 3 324.469 0.609 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001397680104 996128798 /nfs/dbraw/zinc/12/87/98/996128798.db2.gz SENUZGOTAVIDES-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@@H]1CCCN1C ZINC001398092760 996362034 /nfs/dbraw/zinc/36/20/34/996362034.db2.gz ATLIBIBCEMXFAN-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@@H]1CCCN1C ZINC001398092760 996362039 /nfs/dbraw/zinc/36/20/39/996362039.db2.gz ATLIBIBCEMXFAN-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCN1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001398272831 996441490 /nfs/dbraw/zinc/44/14/90/996441490.db2.gz KFAUMYZZUFWPBM-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C1CC1 ZINC001507147776 1016034141 /nfs/dbraw/zinc/03/41/41/1016034141.db2.gz IHABKEWGKWZVEJ-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC(=O)N2CCC2)C2CC2)CCC1 ZINC001398407807 996504308 /nfs/dbraw/zinc/50/43/08/996504308.db2.gz NTOQSVAVKIHVAM-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001398440261 996516906 /nfs/dbraw/zinc/51/69/06/996516906.db2.gz YHYRVEMQYYFTNE-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001398440261 996516909 /nfs/dbraw/zinc/51/69/09/996516909.db2.gz YHYRVEMQYYFTNE-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC(=O)N2CCC2)C2CC2)C1 ZINC001398457599 996526101 /nfs/dbraw/zinc/52/61/01/996526101.db2.gz RNCLMYTZKQQQRU-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCC(=O)N(C)C ZINC001502723795 1016040905 /nfs/dbraw/zinc/04/09/05/1016040905.db2.gz BLJCJDJZDIFOPL-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001398513569 996547425 /nfs/dbraw/zinc/54/74/25/996547425.db2.gz GXYRRPHAGPJDEQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001398513569 996547432 /nfs/dbraw/zinc/54/74/32/996547432.db2.gz GXYRRPHAGPJDEQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001398624457 996610891 /nfs/dbraw/zinc/61/08/91/996610891.db2.gz MVDSDVIQSKZWER-CYBMUJFWSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001398624457 996610892 /nfs/dbraw/zinc/61/08/92/996610892.db2.gz MVDSDVIQSKZWER-CYBMUJFWSA-N 1 3 322.453 0.282 20 0 DCADHO CCn1cc(CNC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001398753320 996673024 /nfs/dbraw/zinc/67/30/24/996673024.db2.gz XGPGHRNNXTVWEM-AWEZNQCLSA-N 1 3 322.457 0.578 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001398918887 996749454 /nfs/dbraw/zinc/74/94/54/996749454.db2.gz IRMBZCFDNGVOBD-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001398918887 996749455 /nfs/dbraw/zinc/74/94/55/996749455.db2.gz IRMBZCFDNGVOBD-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1cncn1C ZINC001398926311 996753378 /nfs/dbraw/zinc/75/33/78/996753378.db2.gz DZYOKFGTSBJGDD-CYBMUJFWSA-N 1 3 305.426 0.643 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)n[nH]1 ZINC001398989880 996800478 /nfs/dbraw/zinc/80/04/78/996800478.db2.gz XRMRJTAUAXJJPP-GFCCVEGCSA-N 1 3 320.441 0.583 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C[C@@H]2CCOC2)C2CC2)C1 ZINC001404270104 996887450 /nfs/dbraw/zinc/88/74/50/996887450.db2.gz MEXYHUMPDXNLJF-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C[C@@H]2CCOC2)C2CC2)C1 ZINC001404270104 996887461 /nfs/dbraw/zinc/88/74/61/996887461.db2.gz MEXYHUMPDXNLJF-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001404319229 996971633 /nfs/dbraw/zinc/97/16/33/996971633.db2.gz MDYCYWUUTLILHT-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001399114133 996980400 /nfs/dbraw/zinc/98/04/00/996980400.db2.gz MEMKJABKWFLGST-GFCCVEGCSA-N 1 3 305.426 0.419 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001399302894 997183128 /nfs/dbraw/zinc/18/31/28/997183128.db2.gz QUOYRLCOHKYBLU-CYBMUJFWSA-N 1 3 307.398 0.011 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001405171250 997882959 /nfs/dbraw/zinc/88/29/59/997882959.db2.gz KYKZQFSCZJHSAO-LLVKDONJSA-N 1 3 309.414 0.175 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001405178386 997890952 /nfs/dbraw/zinc/89/09/52/997890952.db2.gz STOITWWLRORACW-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC(C)C ZINC001405249425 998007337 /nfs/dbraw/zinc/00/73/37/998007337.db2.gz ITLRDNPPFGHLNG-HUUCEWRRSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1n[nH]c(C)n1 ZINC001405295278 998074368 /nfs/dbraw/zinc/07/43/68/998074368.db2.gz SJTKYXYWDLILFZ-CYBMUJFWSA-N 1 3 308.430 0.439 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001548749182 1016185822 /nfs/dbraw/zinc/18/58/22/1016185822.db2.gz YZTKJWBPMHLMEM-KRWDZBQOSA-N 1 3 305.422 0.887 20 0 DCADHO CCc1ccccc1CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001507258782 1016189573 /nfs/dbraw/zinc/18/95/73/1016189573.db2.gz BLERWOPGBCWHFY-IRXDYDNUSA-N 1 3 319.449 0.767 20 0 DCADHO CCc1ccccc1CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507258782 1016189579 /nfs/dbraw/zinc/18/95/79/1016189579.db2.gz BLERWOPGBCWHFY-IRXDYDNUSA-N 1 3 319.449 0.767 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001405404483 998196929 /nfs/dbraw/zinc/19/69/29/998196929.db2.gz WNIUUKIUVNVIKZ-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001405773853 998549825 /nfs/dbraw/zinc/54/98/25/998549825.db2.gz GZNOFCCSBKPZPN-AWEZNQCLSA-N 1 3 324.469 0.753 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507327100 1016254694 /nfs/dbraw/zinc/25/46/94/1016254694.db2.gz XJFXWBKQGTWZNU-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507327099 1016254957 /nfs/dbraw/zinc/25/49/57/1016254957.db2.gz XJFXWBKQGTWZNU-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001505501729 1016276784 /nfs/dbraw/zinc/27/67/84/1016276784.db2.gz HHHKAMMVOIMXKR-UHFFFAOYSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]([NH2+]CCn1cccn1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001505625749 1016367958 /nfs/dbraw/zinc/36/79/58/1016367958.db2.gz NHKDPQOTVQTIKZ-KGLIPLIRSA-N 1 3 307.442 0.850 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)CCc1cnn(C)c1 ZINC001418471870 1000258428 /nfs/dbraw/zinc/25/84/28/1000258428.db2.gz VCQGCFVIQLYMEF-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)CCc1cnn(C)c1 ZINC001418471870 1000258435 /nfs/dbraw/zinc/25/84/35/1000258435.db2.gz VCQGCFVIQLYMEF-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401240167 1000300034 /nfs/dbraw/zinc/30/00/34/1000300034.db2.gz DSYFVKNKADZXDB-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C(=O)CN1CCCC1 ZINC001401254649 1000311390 /nfs/dbraw/zinc/31/13/90/1000311390.db2.gz FRSIGIVWKQBMTP-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401258169 1000314924 /nfs/dbraw/zinc/31/49/24/1000314924.db2.gz UEWVQDZGZFHQHG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401258169 1000314930 /nfs/dbraw/zinc/31/49/30/1000314930.db2.gz UEWVQDZGZFHQHG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001401295186 1000335501 /nfs/dbraw/zinc/33/55/01/1000335501.db2.gz GOLUPCNRQRLRSU-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC(=O)NC ZINC001401313449 1000344798 /nfs/dbraw/zinc/34/47/98/1000344798.db2.gz RXZNRKWMUNCKET-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1cncc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001401539552 1000478581 /nfs/dbraw/zinc/47/85/81/1000478581.db2.gz KKXSKBYBOCVEEM-HOTGVXAUSA-N 1 3 322.453 0.543 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001418804528 1000532528 /nfs/dbraw/zinc/53/25/28/1000532528.db2.gz ANHMXVQGXPZFTN-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001401620804 1000558715 /nfs/dbraw/zinc/55/87/15/1000558715.db2.gz ULPRLOSHTJCXHN-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001401620804 1000558718 /nfs/dbraw/zinc/55/87/18/1000558718.db2.gz ULPRLOSHTJCXHN-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001418847509 1000568164 /nfs/dbraw/zinc/56/81/64/1000568164.db2.gz QRRQPOQNMAIPKG-NWDGAFQWSA-N 1 3 321.425 0.303 20 0 DCADHO CN1CCC[C@@H](N2[C@@H]3CC[C@H]2CN(C(=O)CC[NH+](C)C)C3)C1=O ZINC001418863990 1000576786 /nfs/dbraw/zinc/57/67/86/1000576786.db2.gz DMJRCLOTWDBVRP-QLFBSQMISA-N 1 3 322.453 0.234 20 0 DCADHO CNC(=O)[C@H](C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001418948102 1000637013 /nfs/dbraw/zinc/63/70/13/1000637013.db2.gz RDCXMXNNQDJIIO-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@H](C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001418948102 1000637014 /nfs/dbraw/zinc/63/70/14/1000637014.db2.gz RDCXMXNNQDJIIO-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C)NC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401699563 1000638016 /nfs/dbraw/zinc/63/80/16/1000638016.db2.gz MDJHSYPXRQCSSU-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C(C)C)[NH+](C)C ZINC001401715756 1000653202 /nfs/dbraw/zinc/65/32/02/1000653202.db2.gz CDEXWKHLAFYHAB-DZGCQCFKSA-N 1 3 314.474 0.534 20 0 DCADHO CCN1CCN(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001419142295 1000812561 /nfs/dbraw/zinc/81/25/61/1000812561.db2.gz BWGIFASMVICKNW-UHFFFAOYSA-N 1 3 322.497 0.862 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(C)C ZINC001419236374 1000904662 /nfs/dbraw/zinc/90/46/62/1000904662.db2.gz AMKWECSMSCXMPM-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+][C@H]2CCCNC2=O)C2CC2)CCC1 ZINC001419259949 1000927618 /nfs/dbraw/zinc/92/76/18/1000927618.db2.gz IPTCHBFPSXSOCP-UONOGXRCSA-N 1 3 322.453 0.234 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)CCC[NH+](C)C)cn1 ZINC001402057153 1000981132 /nfs/dbraw/zinc/98/11/32/1000981132.db2.gz KVKZKDNZNRZABW-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402065656 1000987525 /nfs/dbraw/zinc/98/75/25/1000987525.db2.gz YORACHZOODEQHW-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001402065656 1000987534 /nfs/dbraw/zinc/98/75/34/1000987534.db2.gz YORACHZOODEQHW-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)NC1(C)CC[NH+](C[C@@H](O)COC)CC1 ZINC001402088201 1001006758 /nfs/dbraw/zinc/00/67/58/1001006758.db2.gz JKIIHARJIXWCTB-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CCCC1)C(N)=O ZINC001402103280 1001016860 /nfs/dbraw/zinc/01/68/60/1001016860.db2.gz XRUPNOSHPSTGMH-SWLSCSKDSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001419426379 1001040989 /nfs/dbraw/zinc/04/09/89/1001040989.db2.gz WEGNITQSFUVUGZ-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001402186757 1001094882 /nfs/dbraw/zinc/09/48/82/1001094882.db2.gz FBQSYZZHPDTCPE-CJNGLKHVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001402197321 1001104425 /nfs/dbraw/zinc/10/44/25/1001104425.db2.gz VLVNQHNKEWEHHR-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)C1CC[NH+](C)CC1 ZINC001419523526 1001114414 /nfs/dbraw/zinc/11/44/14/1001114414.db2.gz UTEHYMIBYORGNN-ZDUSSCGKSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001419820305 1001333625 /nfs/dbraw/zinc/33/36/25/1001333625.db2.gz KKPCVZSZCMPECO-BXUZGUMPSA-N 1 3 319.409 0.057 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001402478351 1001347374 /nfs/dbraw/zinc/34/73/74/1001347374.db2.gz JVRMBZKMRGHPGH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001419840002 1001348120 /nfs/dbraw/zinc/34/81/20/1001348120.db2.gz QAHILLFGPMHWMG-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1CNCC(N)=O ZINC001419849044 1001354389 /nfs/dbraw/zinc/35/43/89/1001354389.db2.gz RGIYVBREDJJSSE-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001419878737 1001378517 /nfs/dbraw/zinc/37/85/17/1001378517.db2.gz DWOFCHUIYSYEAI-ZIAGYGMSSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001402525371 1001384296 /nfs/dbraw/zinc/38/42/96/1001384296.db2.gz IFXYMQNYWPDLFM-GXTWGEPZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419897597 1001393412 /nfs/dbraw/zinc/39/34/12/1001393412.db2.gz LYOBHRJNWWQDEH-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419897597 1001393419 /nfs/dbraw/zinc/39/34/19/1001393419.db2.gz LYOBHRJNWWQDEH-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCc1cnn(C)c1 ZINC001419934701 1001417042 /nfs/dbraw/zinc/41/70/42/1001417042.db2.gz XNFIGPRTAHISTF-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CN(CCC[N@H+](C)CCn1cccn1)C(=O)CN1CCCC1 ZINC001402659003 1001461866 /nfs/dbraw/zinc/46/18/66/1001461866.db2.gz IZYADJPZJAZMMZ-UHFFFAOYSA-N 1 3 307.442 0.759 20 0 DCADHO CN(CCC[N@@H+](C)CCn1cccn1)C(=O)CN1CCCC1 ZINC001402659003 1001461867 /nfs/dbraw/zinc/46/18/67/1001461867.db2.gz IZYADJPZJAZMMZ-UHFFFAOYSA-N 1 3 307.442 0.759 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001402723564 1001481540 /nfs/dbraw/zinc/48/15/40/1001481540.db2.gz SWGCVUSVBRMHDO-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505730044 1016500126 /nfs/dbraw/zinc/50/01/26/1016500126.db2.gz PXYZMSRXVMNWCG-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@@H](C)O3)C[C@H]21 ZINC001402821095 1001516407 /nfs/dbraw/zinc/51/64/07/1001516407.db2.gz TWUDGMVUVNJTET-NMNMXBMNSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC[C@@H](C)O3)C[C@H]21 ZINC001402821095 1001516411 /nfs/dbraw/zinc/51/64/11/1001516411.db2.gz TWUDGMVUVNJTET-NMNMXBMNSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CO)CC[NH+](CCCF)CC1 ZINC001402885826 1001556965 /nfs/dbraw/zinc/55/69/65/1001556965.db2.gz BIQIPRXEODBWBW-UHFFFAOYSA-N 1 3 303.422 0.629 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403047000 1001648263 /nfs/dbraw/zinc/64/82/63/1001648263.db2.gz NGZPJRGQZUNULO-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001403071875 1001659888 /nfs/dbraw/zinc/65/98/88/1001659888.db2.gz UXGPZMOFFCAGPB-NSHDSACASA-N 1 3 308.430 0.439 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419954592 1001719308 /nfs/dbraw/zinc/71/93/08/1001719308.db2.gz FVHMFSNNFKZGCJ-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001419957573 1001722492 /nfs/dbraw/zinc/72/24/92/1001722492.db2.gz IVIAALIADRSDLL-HZSPNIEDSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001419957573 1001722497 /nfs/dbraw/zinc/72/24/97/1001722497.db2.gz IVIAALIADRSDLL-HZSPNIEDSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C[C@@H](O)COC)CC[N@@H+]1C ZINC001419966841 1001729689 /nfs/dbraw/zinc/72/96/89/1001729689.db2.gz MXQBWODBGPAHRH-QLFBSQMISA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C[C@@H](O)COC)CC[N@H+]1C ZINC001419966841 1001729691 /nfs/dbraw/zinc/72/96/91/1001729691.db2.gz MXQBWODBGPAHRH-QLFBSQMISA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCc1cncs1)[NH+](C)C ZINC001420202227 1002033004 /nfs/dbraw/zinc/03/30/04/1002033004.db2.gz JVGRIEGRQKOJJZ-WCQYABFASA-N 1 3 314.455 0.296 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001403554591 1002134132 /nfs/dbraw/zinc/13/41/32/1002134132.db2.gz MFERGIJTJBRKRV-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001403554591 1002134139 /nfs/dbraw/zinc/13/41/39/1002134139.db2.gz MFERGIJTJBRKRV-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403561590 1002142698 /nfs/dbraw/zinc/14/26/98/1002142698.db2.gz PCOOUPNFDGZDGL-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncn1C ZINC001420378941 1002309334 /nfs/dbraw/zinc/30/93/34/1002309334.db2.gz ZXSVAXIDNDVQTP-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C2CC2)C[C@H]1C ZINC001403746506 1002459964 /nfs/dbraw/zinc/45/99/64/1002459964.db2.gz IWAZITVJNFRXCS-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C2CC2)C[C@H]1C ZINC001403746506 1002459976 /nfs/dbraw/zinc/45/99/76/1002459976.db2.gz IWAZITVJNFRXCS-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001420475572 1002471002 /nfs/dbraw/zinc/47/10/02/1002471002.db2.gz GGBFQSMXUXMXQS-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CC[NH+]1CCCCC1 ZINC001403781768 1002515059 /nfs/dbraw/zinc/51/50/59/1002515059.db2.gz UANHOHLGIJYMHB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1ccc(CN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1=O ZINC001420506307 1002516354 /nfs/dbraw/zinc/51/63/54/1002516354.db2.gz RHZDYTVMWCLSKS-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H]3CN(CC(N)=O)C[C@@H]3C2)CC1 ZINC001425375813 1002621417 /nfs/dbraw/zinc/62/14/17/1002621417.db2.gz VZTKXVORRMOSAP-MELADBBJSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2cccnc2)CC[N@@H+]1C ZINC001403849418 1002625041 /nfs/dbraw/zinc/62/50/41/1002625041.db2.gz WMXDRQNEJWJBFZ-VNQPRFMTSA-N 1 3 320.437 0.331 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2cccnc2)CC[N@H+]1C ZINC001403849418 1002625046 /nfs/dbraw/zinc/62/50/46/1002625046.db2.gz WMXDRQNEJWJBFZ-VNQPRFMTSA-N 1 3 320.437 0.331 20 0 DCADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001425580177 1002844191 /nfs/dbraw/zinc/84/41/91/1002844191.db2.gz JNIFOXDYIJEUNJ-WCQYABFASA-N 1 3 307.398 0.010 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001420726857 1002867258 /nfs/dbraw/zinc/86/72/58/1002867258.db2.gz KJPKDSLIPBYDHB-CQSZACIVSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001425604675 1002879816 /nfs/dbraw/zinc/87/98/16/1002879816.db2.gz YXZUAFQKIXHLHM-UONOGXRCSA-N 1 3 314.474 0.630 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001420733301 1002881741 /nfs/dbraw/zinc/88/17/41/1002881741.db2.gz WVQBYHSUZZFELU-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001420746909 1002908262 /nfs/dbraw/zinc/90/82/62/1002908262.db2.gz VGXWWJXYRSGSKV-RRFJBIMHSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001420746909 1002908268 /nfs/dbraw/zinc/90/82/68/1002908268.db2.gz VGXWWJXYRSGSKV-RRFJBIMHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001425646342 1002923317 /nfs/dbraw/zinc/92/33/17/1002923317.db2.gz FBUQNEFTEZISGN-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001425646342 1002923328 /nfs/dbraw/zinc/92/33/28/1002923328.db2.gz FBUQNEFTEZISGN-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001425646342 1002923337 /nfs/dbraw/zinc/92/33/37/1002923337.db2.gz FBUQNEFTEZISGN-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001404082808 1002984643 /nfs/dbraw/zinc/98/46/43/1002984643.db2.gz UQIROEVMONXSSM-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1ncc(CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C)s1 ZINC001426020575 1003341397 /nfs/dbraw/zinc/34/13/97/1003341397.db2.gz CNCITVMBBDHZCF-LBPRGKRZSA-N 1 3 314.455 0.312 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001421269458 1003493314 /nfs/dbraw/zinc/49/33/14/1003493314.db2.gz JHIULGFATKHEAG-GOEBONIOSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)O)CCC1(F)F ZINC001421323236 1003543819 /nfs/dbraw/zinc/54/38/19/1003543819.db2.gz ZLFGFSOGBDEWIV-QWHCGFSZSA-N 1 3 321.412 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)O)CCC1(F)F ZINC001421323236 1003543823 /nfs/dbraw/zinc/54/38/23/1003543823.db2.gz ZLFGFSOGBDEWIV-QWHCGFSZSA-N 1 3 321.412 0.782 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001421358296 1003584556 /nfs/dbraw/zinc/58/45/56/1003584556.db2.gz BWURVPOSHCELBH-CJNGLKHVSA-N 1 3 313.442 0.059 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001421358296 1003584561 /nfs/dbraw/zinc/58/45/61/1003584561.db2.gz BWURVPOSHCELBH-CJNGLKHVSA-N 1 3 313.442 0.059 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001426163094 1003630767 /nfs/dbraw/zinc/63/07/67/1003630767.db2.gz IVRFHEFMLQFFKV-GXTWGEPZSA-N 1 3 322.457 0.387 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001426163094 1003630768 /nfs/dbraw/zinc/63/07/68/1003630768.db2.gz IVRFHEFMLQFFKV-GXTWGEPZSA-N 1 3 322.457 0.387 20 0 DCADHO COCCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[C@@H](C)O ZINC001426170325 1003634548 /nfs/dbraw/zinc/63/45/48/1003634548.db2.gz OYQOBAWAOIRHIS-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[C@@H](C)O ZINC001426170325 1003634551 /nfs/dbraw/zinc/63/45/51/1003634551.db2.gz OYQOBAWAOIRHIS-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CC(NCc2n[nH]c(C3CC3)n2)C1 ZINC001426217606 1003659218 /nfs/dbraw/zinc/65/92/18/1003659218.db2.gz LBCPILIWLPBXKC-UHFFFAOYSA-N 1 3 320.441 0.713 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC[C@@H]1C)NC(=O)CC[NH+](C)C ZINC001406509369 1003774647 /nfs/dbraw/zinc/77/46/47/1003774647.db2.gz DFZKYWIMQVHUDZ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001406817566 1004118131 /nfs/dbraw/zinc/11/81/31/1004118131.db2.gz XMPIDNGZIMFUMX-JSGCOSHPSA-N 1 3 321.425 0.257 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1 ZINC001406928553 1004229736 /nfs/dbraw/zinc/22/97/36/1004229736.db2.gz ZCKCHLXJQVJVKR-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1 ZINC001406928553 1004229744 /nfs/dbraw/zinc/22/97/44/1004229744.db2.gz ZCKCHLXJQVJVKR-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001407108132 1004389050 /nfs/dbraw/zinc/38/90/50/1004389050.db2.gz HUBCFQBJQYHXHX-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001407264780 1004503918 /nfs/dbraw/zinc/50/39/18/1004503918.db2.gz MHUTWAJJVFNTMK-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001407277497 1004512076 /nfs/dbraw/zinc/51/20/76/1004512076.db2.gz ZPTFALQJYIFZDL-XJKSGUPXSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001407507019 1004698088 /nfs/dbraw/zinc/69/80/88/1004698088.db2.gz FSEIMXGQCLYLDF-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001407701341 1004813659 /nfs/dbraw/zinc/81/36/59/1004813659.db2.gz PBWAPCDIBRXEHH-RBSFLKMASA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001407762057 1004844109 /nfs/dbraw/zinc/84/41/09/1004844109.db2.gz GJACSCCXLCOKSM-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001407762057 1004844118 /nfs/dbraw/zinc/84/41/18/1004844118.db2.gz GJACSCCXLCOKSM-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001508590505 1016925245 /nfs/dbraw/zinc/92/52/45/1016925245.db2.gz YQTANDROIQMGOY-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001408253583 1005127285 /nfs/dbraw/zinc/12/72/85/1005127285.db2.gz FBELXFWIOTYADE-RAIGVLPGSA-N 1 3 321.425 0.222 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408253583 1005127287 /nfs/dbraw/zinc/12/72/87/1005127287.db2.gz FBELXFWIOTYADE-RAIGVLPGSA-N 1 3 321.425 0.222 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001415330517 1005504545 /nfs/dbraw/zinc/50/45/45/1005504545.db2.gz YLINXDXTKMILLJ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001415754388 1005605882 /nfs/dbraw/zinc/60/58/82/1005605882.db2.gz MIBBBBFABWFNRG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415754388 1005605883 /nfs/dbraw/zinc/60/58/83/1005605883.db2.gz MIBBBBFABWFNRG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001416000510 1005645376 /nfs/dbraw/zinc/64/53/76/1005645376.db2.gz SIXGWASWRIUKMY-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001416921505 1005760456 /nfs/dbraw/zinc/76/04/56/1005760456.db2.gz WVNVSBOWZDOYHS-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001416921505 1005760458 /nfs/dbraw/zinc/76/04/58/1005760458.db2.gz WVNVSBOWZDOYHS-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001416936742 1005763134 /nfs/dbraw/zinc/76/31/34/1005763134.db2.gz WTUYTFROQUFEGD-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001417149277 1005793423 /nfs/dbraw/zinc/79/34/23/1005793423.db2.gz UMZUGTLIILCDBE-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001417149277 1005793426 /nfs/dbraw/zinc/79/34/26/1005793426.db2.gz UMZUGTLIILCDBE-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001417812138 1005895091 /nfs/dbraw/zinc/89/50/91/1005895091.db2.gz ICZVWRIMGXMBFQ-MJBXVCDLSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001418107993 1006048533 /nfs/dbraw/zinc/04/85/33/1006048533.db2.gz FEYPZSQPLQWEMY-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001438706189 1006051204 /nfs/dbraw/zinc/05/12/04/1006051204.db2.gz ABJNHQAONOFPMI-LLVKDONJSA-N 1 3 306.414 0.145 20 0 DCADHO C[C@H](C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C(=O)CN1CCCC1 ZINC001438727289 1006075999 /nfs/dbraw/zinc/07/59/99/1006075999.db2.gz ZWOUQGDLQHXFTO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001418166154 1006123076 /nfs/dbraw/zinc/12/30/76/1006123076.db2.gz WTJCGMUTJKYRPM-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC ZINC001418176405 1006128980 /nfs/dbraw/zinc/12/89/80/1006128980.db2.gz ZDVDEIQHEYEMQA-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001436366512 1006145577 /nfs/dbraw/zinc/14/55/77/1006145577.db2.gz OUNBPFNFTXUFKG-BJJXKVORSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cnnn1C ZINC001438836979 1006153662 /nfs/dbraw/zinc/15/36/62/1006153662.db2.gz QSJFNVKBJDTGKX-AWEZNQCLSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001436390016 1006159058 /nfs/dbraw/zinc/15/90/58/1006159058.db2.gz KHGFTGPFQODGOL-LXTVHRRPSA-N 1 3 324.469 0.289 20 0 DCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H](C)OC ZINC001436420971 1006172658 /nfs/dbraw/zinc/17/26/58/1006172658.db2.gz ACRPLIFCJPNELF-GZBFAFLISA-N 1 3 324.425 0.440 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001436474710 1006205437 /nfs/dbraw/zinc/20/54/37/1006205437.db2.gz ILJQSUPUVBRMOL-ZFWWWQNUSA-N 1 3 324.425 0.320 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCCC[C@H]1C[N@H+](C)CCO ZINC001436502571 1006225312 /nfs/dbraw/zinc/22/53/12/1006225312.db2.gz VHNRFFAGZCJGFX-LSDHHAIUSA-N 1 3 317.449 0.972 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCCC[C@H]1C[N@@H+](C)CCO ZINC001436502571 1006225322 /nfs/dbraw/zinc/22/53/22/1006225322.db2.gz VHNRFFAGZCJGFX-LSDHHAIUSA-N 1 3 317.449 0.972 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001418241385 1006233114 /nfs/dbraw/zinc/23/31/14/1006233114.db2.gz CWSFYROXQGBYPB-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001418241385 1006233118 /nfs/dbraw/zinc/23/31/18/1006233118.db2.gz CWSFYROXQGBYPB-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](N[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001418298560 1006327837 /nfs/dbraw/zinc/32/78/37/1006327837.db2.gz XXPIBJQDOAATBI-WFASDCNBSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@H](N[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001418298544 1006327955 /nfs/dbraw/zinc/32/79/55/1006327955.db2.gz XXPIBJQDOAATBI-DOMZBBRYSA-N 1 3 324.469 0.467 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418321579 1006368375 /nfs/dbraw/zinc/36/83/75/1006368375.db2.gz WXTDLTOMOKSEKH-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418321579 1006368387 /nfs/dbraw/zinc/36/83/87/1006368387.db2.gz WXTDLTOMOKSEKH-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001418335636 1006396651 /nfs/dbraw/zinc/39/66/51/1006396651.db2.gz NISCBJJCYVXMIV-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO COc1cc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001418347902 1006413018 /nfs/dbraw/zinc/41/30/18/1006413018.db2.gz FNEOIMWUCXBEPE-LBPRGKRZSA-N 1 3 310.398 0.573 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001439130375 1006498531 /nfs/dbraw/zinc/49/85/31/1006498531.db2.gz KJHZJQFEZMLSAT-FRRDWIJNSA-N 1 3 314.474 0.724 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436996807 1006514185 /nfs/dbraw/zinc/51/41/85/1006514185.db2.gz BHMANEUWVVXJRB-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)[NH+]1CCCCCC1 ZINC001439257720 1006629908 /nfs/dbraw/zinc/62/99/08/1006629908.db2.gz OKDWSDLPLYIOON-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001439283732 1006656913 /nfs/dbraw/zinc/65/69/13/1006656913.db2.gz FPFLYJAUPPFERD-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCn1cc(CC[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001437215965 1006718246 /nfs/dbraw/zinc/71/82/46/1006718246.db2.gz ZLHNKBVWIGFUCS-CABCVRRESA-N 1 3 321.469 0.882 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccn(C)n1 ZINC001437375136 1006904951 /nfs/dbraw/zinc/90/49/51/1006904951.db2.gz WACQQIKLGFYLJV-GZBFAFLISA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccn(C)n1 ZINC001437375136 1006904966 /nfs/dbraw/zinc/90/49/66/1006904966.db2.gz WACQQIKLGFYLJV-GZBFAFLISA-N 1 3 307.442 0.745 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001452884873 1007131698 /nfs/dbraw/zinc/13/16/98/1007131698.db2.gz LTFOBSOXSQFSDW-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001452884873 1007131705 /nfs/dbraw/zinc/13/17/05/1007131705.db2.gz LTFOBSOXSQFSDW-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)CCC[NH+](C)C ZINC001452963299 1007172884 /nfs/dbraw/zinc/17/28/84/1007172884.db2.gz NJNMCSUTBVODAU-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 ZINC001439848907 1007250171 /nfs/dbraw/zinc/25/01/71/1007250171.db2.gz KQXLFFKBIHWZIU-HNNXBMFYSA-N 1 3 308.430 0.201 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 ZINC001439848907 1007250185 /nfs/dbraw/zinc/25/01/85/1007250185.db2.gz KQXLFFKBIHWZIU-HNNXBMFYSA-N 1 3 308.430 0.201 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001453392571 1007451442 /nfs/dbraw/zinc/45/14/42/1007451442.db2.gz QQXDXDRVEFXJOY-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001453392571 1007451446 /nfs/dbraw/zinc/45/14/46/1007451446.db2.gz QQXDXDRVEFXJOY-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001437841221 1007456287 /nfs/dbraw/zinc/45/62/87/1007456287.db2.gz WSULKGJGTYCPKZ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001437841221 1007456300 /nfs/dbraw/zinc/45/63/00/1007456300.db2.gz WSULKGJGTYCPKZ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437913719 1007492986 /nfs/dbraw/zinc/49/29/86/1007492986.db2.gz AZEUKWREBMZNSD-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437913719 1007492993 /nfs/dbraw/zinc/49/29/93/1007492993.db2.gz AZEUKWREBMZNSD-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437994271 1007573756 /nfs/dbraw/zinc/57/37/56/1007573756.db2.gz VIKUTVJWDKWPIF-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001440320919 1007669539 /nfs/dbraw/zinc/66/95/39/1007669539.db2.gz MOXYSIDTFWRNFP-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@](C)(C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001438420341 1007895877 /nfs/dbraw/zinc/89/58/77/1007895877.db2.gz JNHSDOXTGMKLGL-CXAGYDPISA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001438438359 1007908790 /nfs/dbraw/zinc/90/87/90/1007908790.db2.gz ZMLJHRGGQLNONK-KKUMJFAQSA-N 1 3 324.469 0.622 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1C ZINC001438483116 1007941595 /nfs/dbraw/zinc/94/15/95/1007941595.db2.gz AKDNNBBBKHMVDY-XNRPHZJLSA-N 1 3 321.469 0.911 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1C ZINC001438483116 1007941602 /nfs/dbraw/zinc/94/16/02/1007941602.db2.gz AKDNNBBBKHMVDY-XNRPHZJLSA-N 1 3 321.469 0.911 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001440801817 1008034236 /nfs/dbraw/zinc/03/42/36/1008034236.db2.gz PBURBKYHQOJTTD-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCNC1=O ZINC001440885318 1008084971 /nfs/dbraw/zinc/08/49/71/1008084971.db2.gz KDZAPCXUDNUBKR-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001441380297 1008339898 /nfs/dbraw/zinc/33/98/98/1008339898.db2.gz CVZQAKLRVBSKFI-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001441380297 1008339900 /nfs/dbraw/zinc/33/99/00/1008339900.db2.gz CVZQAKLRVBSKFI-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001441434503 1008353183 /nfs/dbraw/zinc/35/31/83/1008353183.db2.gz AVBAQPJTBAPNGF-BPLDGKMQSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@H](N[C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001441541901 1008397687 /nfs/dbraw/zinc/39/76/87/1008397687.db2.gz RPCQVIGFITZIRZ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001441826923 1008526044 /nfs/dbraw/zinc/52/60/44/1008526044.db2.gz QUCCRONWZBZUQG-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001421402238 1008528752 /nfs/dbraw/zinc/52/87/52/1008528752.db2.gz ITZRPIFSNBWKOX-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001421402238 1008528763 /nfs/dbraw/zinc/52/87/63/1008528763.db2.gz ITZRPIFSNBWKOX-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N(C)CC2CC2)CN1C(=O)CC[NH+](C)C ZINC001441840899 1008552665 /nfs/dbraw/zinc/55/26/65/1008552665.db2.gz QBFMFJRRSNDECK-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001441842811 1008556829 /nfs/dbraw/zinc/55/68/29/1008556829.db2.gz NQUISQFXHPVUAI-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001441842811 1008556842 /nfs/dbraw/zinc/55/68/42/1008556842.db2.gz NQUISQFXHPVUAI-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001441856996 1008582244 /nfs/dbraw/zinc/58/22/44/1008582244.db2.gz RKTNNDFTVUDAOE-TZMCWYRMSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001441874295 1008610010 /nfs/dbraw/zinc/61/00/10/1008610010.db2.gz PGYHHQKXRVQZIA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1n[nH]c(C)n1 ZINC001421506614 1008671319 /nfs/dbraw/zinc/67/13/19/1008671319.db2.gz YBMDKNWOLHQNJI-CQSZACIVSA-N 1 3 322.457 0.974 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001421547964 1008712783 /nfs/dbraw/zinc/71/27/83/1008712783.db2.gz ZRLQRMHUMLGSIL-GJZGRUSLSA-N 1 3 324.469 0.148 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001433415828 1008762002 /nfs/dbraw/zinc/76/20/02/1008762002.db2.gz VXNGSEMAVULART-MCIONIFRSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001433415828 1008762022 /nfs/dbraw/zinc/76/20/22/1008762022.db2.gz VXNGSEMAVULART-MCIONIFRSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001442053085 1008882663 /nfs/dbraw/zinc/88/26/63/1008882663.db2.gz PWHFUODZNBDDFA-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001442053085 1008882681 /nfs/dbraw/zinc/88/26/81/1008882681.db2.gz PWHFUODZNBDDFA-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001442071874 1008926581 /nfs/dbraw/zinc/92/65/81/1008926581.db2.gz XXKOBMNZLKPMBW-OLZOCXBDSA-N 1 3 314.474 0.724 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCCS(C)(=O)=O ZINC001442113785 1008980437 /nfs/dbraw/zinc/98/04/37/1008980437.db2.gz LXHBNPVMTXGPPP-ZDUSSCGKSA-N 1 3 319.471 0.001 20 0 DCADHO C[C@@H]1OC(=O)N[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001433628552 1009017882 /nfs/dbraw/zinc/01/78/82/1009017882.db2.gz CKMQCKWWTUVFBC-FZMZJTMJSA-N 1 3 324.425 0.158 20 0 DCADHO Cc1cncc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)c1 ZINC001421803844 1009114309 /nfs/dbraw/zinc/11/43/09/1009114309.db2.gz ODLJKGQWMWBJDC-INIZCTEOSA-N 1 3 320.437 0.659 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421919579 1009260220 /nfs/dbraw/zinc/26/02/20/1009260220.db2.gz AFMBIRNTFDSFPN-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1nc(CNC[C@H](CC(C)C)NC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001422020643 1009405644 /nfs/dbraw/zinc/40/56/44/1009405644.db2.gz ZMEKENJSEGHTMX-KBPBESRZSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNC[C@H](CC(C)C)NC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001422020643 1009405655 /nfs/dbraw/zinc/40/56/55/1009405655.db2.gz ZMEKENJSEGHTMX-KBPBESRZSA-N 1 3 322.457 0.685 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H](C)C1 ZINC001422051218 1009437489 /nfs/dbraw/zinc/43/74/89/1009437489.db2.gz QRVKOCPSHXVJTG-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001422262170 1009724833 /nfs/dbraw/zinc/72/48/33/1009724833.db2.gz CVTXJIBHOPARFG-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001422276980 1009758388 /nfs/dbraw/zinc/75/83/88/1009758388.db2.gz JRZLHDMGXBVVII-RUXDESIVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)N(C)C ZINC001442809986 1009762153 /nfs/dbraw/zinc/76/21/53/1009762153.db2.gz ZBPKSFHZGFISCO-HIFRSBDPSA-N 1 3 314.474 0.487 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](CC[NH+](C)C)C2)CC1=O ZINC001455625373 1009867060 /nfs/dbraw/zinc/86/70/60/1009867060.db2.gz AQPOZVZGZLZJQK-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001434461629 1009980628 /nfs/dbraw/zinc/98/06/28/1009980628.db2.gz XYUMZPKXJZLATK-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001434461629 1009980632 /nfs/dbraw/zinc/98/06/32/1009980632.db2.gz XYUMZPKXJZLATK-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001422449314 1010104760 /nfs/dbraw/zinc/10/47/60/1010104760.db2.gz KZKRHGNVFSWJBV-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001422449314 1010104770 /nfs/dbraw/zinc/10/47/70/1010104770.db2.gz KZKRHGNVFSWJBV-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001422457472 1010113566 /nfs/dbraw/zinc/11/35/66/1010113566.db2.gz RMTJOHYPYZYBAR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001443087904 1010129791 /nfs/dbraw/zinc/12/97/91/1010129791.db2.gz QYQGQBXPEOTXAF-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001443087904 1010129795 /nfs/dbraw/zinc/12/97/95/1010129795.db2.gz QYQGQBXPEOTXAF-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001456264291 1010159412 /nfs/dbraw/zinc/15/94/12/1010159412.db2.gz NRDMYZPFFLIPMF-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001422492564 1010174716 /nfs/dbraw/zinc/17/47/16/1010174716.db2.gz RWROEOSQBJHONQ-ZIAGYGMSSA-N 1 3 315.458 0.353 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NCC1CC1 ZINC001422496025 1010183223 /nfs/dbraw/zinc/18/32/23/1010183223.db2.gz MTXXWAPBJUCBLJ-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NCC1CC1 ZINC001422496025 1010183232 /nfs/dbraw/zinc/18/32/32/1010183232.db2.gz MTXXWAPBJUCBLJ-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001443188128 1010201440 /nfs/dbraw/zinc/20/14/40/1010201440.db2.gz MJXMAJNATSLZOP-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422548899 1010280777 /nfs/dbraw/zinc/28/07/77/1010280777.db2.gz IVSPFBRMBJYZLQ-RFGFWPKPSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422548899 1010280787 /nfs/dbraw/zinc/28/07/87/1010280787.db2.gz IVSPFBRMBJYZLQ-RFGFWPKPSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@@H](C)NC(=O)CCC[NH+](C)C)C1=O ZINC001422550937 1010284732 /nfs/dbraw/zinc/28/47/32/1010284732.db2.gz NGBIDNPMWLITMJ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422728037 1010536274 /nfs/dbraw/zinc/53/62/74/1010536274.db2.gz GUBZLBVPTBNJDZ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422728037 1010536285 /nfs/dbraw/zinc/53/62/85/1010536285.db2.gz GUBZLBVPTBNJDZ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNCC(=O)N2CCC2)CC1 ZINC001422730539 1010539578 /nfs/dbraw/zinc/53/95/78/1010539578.db2.gz GYDNEFDSBSOFJN-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001423052430 1010843896 /nfs/dbraw/zinc/84/38/96/1010843896.db2.gz ONIXRORXFQJVGE-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001423052430 1010843902 /nfs/dbraw/zinc/84/39/02/1010843902.db2.gz ONIXRORXFQJVGE-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)NCC ZINC001423064773 1010858215 /nfs/dbraw/zinc/85/82/15/1010858215.db2.gz WOAIDUXFEPMFID-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)NCC ZINC001423064773 1010858220 /nfs/dbraw/zinc/85/82/20/1010858220.db2.gz WOAIDUXFEPMFID-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001444168130 1010890281 /nfs/dbraw/zinc/89/02/81/1010890281.db2.gz JAPNFAVLDYXUNX-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001423145287 1010922001 /nfs/dbraw/zinc/92/20/01/1010922001.db2.gz GWHDLQHJSASHJG-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001423145287 1010922004 /nfs/dbraw/zinc/92/20/04/1010922004.db2.gz GWHDLQHJSASHJG-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001423409242 1011128755 /nfs/dbraw/zinc/12/87/55/1011128755.db2.gz LKTHATMMCHIUEV-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001423421188 1011139546 /nfs/dbraw/zinc/13/95/46/1011139546.db2.gz WEWWSHQXABHZOM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444727696 1011150014 /nfs/dbraw/zinc/15/00/14/1011150014.db2.gz NQKQKIBODOUJDC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444727696 1011150017 /nfs/dbraw/zinc/15/00/17/1011150017.db2.gz NQKQKIBODOUJDC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC ZINC001423453503 1011159843 /nfs/dbraw/zinc/15/98/43/1011159843.db2.gz MTUKLBQHMYTDSA-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC ZINC001423453503 1011159847 /nfs/dbraw/zinc/15/98/47/1011159847.db2.gz MTUKLBQHMYTDSA-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001444805174 1011176615 /nfs/dbraw/zinc/17/66/15/1011176615.db2.gz BPNVMYXVQSBUMB-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001444818431 1011179566 /nfs/dbraw/zinc/17/95/66/1011179566.db2.gz GSGLWIQYSOZHPY-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001444818431 1011179570 /nfs/dbraw/zinc/17/95/70/1011179570.db2.gz GSGLWIQYSOZHPY-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO CCn1cc(CC[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001444952440 1011243029 /nfs/dbraw/zinc/24/30/29/1011243029.db2.gz DWZSIUISZPHDDE-INIZCTEOSA-N 1 3 321.469 0.930 20 0 DCADHO CCn1cc(CC[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001444952440 1011243041 /nfs/dbraw/zinc/24/30/41/1011243041.db2.gz DWZSIUISZPHDDE-INIZCTEOSA-N 1 3 321.469 0.930 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001423648896 1011389155 /nfs/dbraw/zinc/38/91/55/1011389155.db2.gz VWCRGTXDQVTZRR-WMLDXEAASA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001533583238 1011455830 /nfs/dbraw/zinc/45/58/30/1011455830.db2.gz UOIBTLGACWBPQE-CNBITHIKSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445428852 1011757709 /nfs/dbraw/zinc/75/77/09/1011757709.db2.gz LCKJYVHJGNGKLH-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001445428852 1011757727 /nfs/dbraw/zinc/75/77/27/1011757727.db2.gz LCKJYVHJGNGKLH-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN[C@@H]2CCCNC2=O)CC1 ZINC001445468681 1011794562 /nfs/dbraw/zinc/79/45/62/1011794562.db2.gz GRKFURGGFITLOY-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)s1 ZINC001553428160 1011968254 /nfs/dbraw/zinc/96/82/54/1011968254.db2.gz LSZLGJJZRZGCGT-HZSPNIEDSA-N 1 3 309.435 0.945 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@H]([NH3+])[C@@H](c3cn(C)cn3)C2)C1 ZINC001553431176 1011969496 /nfs/dbraw/zinc/96/94/96/1011969496.db2.gz AQMDUVWPPNHONA-IHRRRGAJSA-N 1 3 320.441 0.341 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC001553443168 1011979093 /nfs/dbraw/zinc/97/90/93/1011979093.db2.gz GGAQQARUDBCJLN-ZJIFWQFVSA-N 1 3 322.453 0.633 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001553444127 1011980236 /nfs/dbraw/zinc/98/02/36/1011980236.db2.gz VKKWNPITUFGJHF-MRXNPFEDSA-N 1 3 310.442 0.635 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553498118 1012034208 /nfs/dbraw/zinc/03/42/08/1012034208.db2.gz NALMVBLXEVAUPR-XQLPTFJDSA-N 1 3 310.442 0.354 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553498733 1012035205 /nfs/dbraw/zinc/03/52/05/1012035205.db2.gz YTIHNBDEUUORFI-RRFJBIMHSA-N 1 3 310.442 0.227 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553497485 1012035479 /nfs/dbraw/zinc/03/54/79/1012035479.db2.gz SGLDSJOPTLXAML-GJZGRUSLSA-N 1 3 310.442 0.227 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[NH2+]1 ZINC001553509127 1012051686 /nfs/dbraw/zinc/05/16/86/1012051686.db2.gz WBSGQDOAKGJLED-TUVASFSCSA-N 1 3 310.442 0.368 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553513425 1012059552 /nfs/dbraw/zinc/05/95/52/1012059552.db2.gz ZDPAGYZRKJCKIX-OAGGEKHMSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)N(C)C ZINC001445962697 1012465064 /nfs/dbraw/zinc/46/50/64/1012465064.db2.gz BUVIDWCDZSCSQA-IUODEOHRSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](F)CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001424420114 1012489845 /nfs/dbraw/zinc/48/98/45/1012489845.db2.gz ZJSXQDZDQRSGHS-IUODEOHRSA-N 1 3 312.389 0.643 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001424471518 1012539881 /nfs/dbraw/zinc/53/98/81/1012539881.db2.gz BFCRYTVTBVDLSC-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC001424532327 1012619819 /nfs/dbraw/zinc/61/98/19/1012619819.db2.gz PBEUMCQZSOFTSA-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC001424532327 1012619828 /nfs/dbraw/zinc/61/98/28/1012619828.db2.gz PBEUMCQZSOFTSA-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO NC1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)Cc2ccccc2C1 ZINC001548589535 1012767120 /nfs/dbraw/zinc/76/71/20/1012767120.db2.gz BJBQMXGFLPKHEO-UHFFFAOYSA-N 1 3 315.417 0.462 20 0 DCADHO O=C([C@@H]1CNCc2ccccc21)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548587909 1012769171 /nfs/dbraw/zinc/76/91/71/1012769171.db2.gz OFYIBLLTRPJNSD-QGZVFWFLSA-N 1 3 315.417 0.853 20 0 DCADHO CN1CCN(CCCNC(=O)c2cc3n(n2)CCC[C@H]3[NH3+])CC1 ZINC001521502789 1017390900 /nfs/dbraw/zinc/39/09/00/1017390900.db2.gz BJXNQCDGSKOSEE-CYBMUJFWSA-N 1 3 320.441 0.044 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001509872994 1017458964 /nfs/dbraw/zinc/45/89/64/1017458964.db2.gz TXHOODMXODXDQO-HDJSIYSDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)NC[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001479299353 1017486493 /nfs/dbraw/zinc/48/64/93/1017486493.db2.gz JSVIHPDGVRJWIW-GUTXKFCHSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001479571654 1017587437 /nfs/dbraw/zinc/58/74/37/1017587437.db2.gz DDGYEZBDIQMBSJ-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](F)CCN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494608034 1017849861 /nfs/dbraw/zinc/84/98/61/1017849861.db2.gz DTTIBDOMRJODFT-ZDUSSCGKSA-N 1 3 315.433 0.893 20 0 DCADHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H](C)C(N)=O ZINC001479844069 1017872015 /nfs/dbraw/zinc/87/20/15/1017872015.db2.gz XKVURIKQDKNHDD-JSGCOSHPSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H]1CCN(C)C1=O ZINC001479845877 1017881950 /nfs/dbraw/zinc/88/19/50/1017881950.db2.gz YRVZRGUOAIRHHD-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H]1CCN(C)C1=O ZINC001479845877 1017881970 /nfs/dbraw/zinc/88/19/70/1017881970.db2.gz YRVZRGUOAIRHHD-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O ZINC001499883392 1018119458 /nfs/dbraw/zinc/11/94/58/1018119458.db2.gz VPYMTSKHOOSNQD-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001499922512 1018136822 /nfs/dbraw/zinc/13/68/22/1018136822.db2.gz FTTIOHSVRAMZDE-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001499957438 1018151997 /nfs/dbraw/zinc/15/19/97/1018151997.db2.gz CLCZHLHDDBQSDY-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CN1CC[C@H](N[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001480120051 1018221933 /nfs/dbraw/zinc/22/19/33/1018221933.db2.gz BKLDSZXOKQZUFS-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480226582 1018338336 /nfs/dbraw/zinc/33/83/36/1018338336.db2.gz OTEBDCBDFJJGMX-XQLPTFJDSA-N 1 3 324.469 0.621 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cncn1C ZINC001497825630 1018449996 /nfs/dbraw/zinc/44/99/96/1018449996.db2.gz SORJNUKHOIEHQZ-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cncn1C ZINC001497825630 1018450003 /nfs/dbraw/zinc/45/00/03/1018450003.db2.gz SORJNUKHOIEHQZ-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497927609 1018520940 /nfs/dbraw/zinc/52/09/40/1018520940.db2.gz YDQHCOUTKPYYTI-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001497927609 1018520967 /nfs/dbraw/zinc/52/09/67/1018520967.db2.gz YDQHCOUTKPYYTI-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480461687 1018556228 /nfs/dbraw/zinc/55/62/28/1018556228.db2.gz AZJWZFGGORVGHW-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001495563865 1018575166 /nfs/dbraw/zinc/57/51/66/1018575166.db2.gz HOHQIKWPNNFZEP-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001495563865 1018575177 /nfs/dbraw/zinc/57/51/77/1018575177.db2.gz HOHQIKWPNNFZEP-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001498060154 1018622199 /nfs/dbraw/zinc/62/21/99/1018622199.db2.gz HYHQMFLDWJMZMP-YNEHKIRRSA-N 1 3 308.430 0.200 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498086341 1018639838 /nfs/dbraw/zinc/63/98/38/1018639838.db2.gz DCUYLVILNLRBQH-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001480595820 1018693919 /nfs/dbraw/zinc/69/39/19/1018693919.db2.gz DJJZYMIMMJYBNZ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001501469518 1019209415 /nfs/dbraw/zinc/20/94/15/1019209415.db2.gz NUQLEWCCYSSNDG-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO CC(C)C[C@@H](CN[C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001496279196 1019211830 /nfs/dbraw/zinc/21/18/30/1019211830.db2.gz LKJBNHCMOCVBKY-KGLIPLIRSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001496279198 1019213065 /nfs/dbraw/zinc/21/30/65/1019213065.db2.gz LKJBNHCMOCVBKY-UONOGXRCSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001493550464 1019510979 /nfs/dbraw/zinc/51/09/79/1019510979.db2.gz HKAAASPJKLHEEK-MELADBBJSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001493550464 1019510987 /nfs/dbraw/zinc/51/09/87/1019510987.db2.gz HKAAASPJKLHEEK-MELADBBJSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001493551905 1019513901 /nfs/dbraw/zinc/51/39/01/1019513901.db2.gz UUCPSFZTVOHUJH-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001493551905 1019513911 /nfs/dbraw/zinc/51/39/11/1019513911.db2.gz UUCPSFZTVOHUJH-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001494066786 1019961016 /nfs/dbraw/zinc/96/10/16/1019961016.db2.gz BGYHYRNSITWXMG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001494066786 1019961012 /nfs/dbraw/zinc/96/10/12/1019961012.db2.gz BGYHYRNSITWXMG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(=O)NC ZINC001660614503 1174023099 /nfs/dbraw/zinc/02/30/99/1174023099.db2.gz XDRXJJYKTSWDNC-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000343674236 282252219 /nfs/dbraw/zinc/25/22/19/282252219.db2.gz MWJWGUWTGMEMGY-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000343674236 282252223 /nfs/dbraw/zinc/25/22/23/282252223.db2.gz MWJWGUWTGMEMGY-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420324651 535159896 /nfs/dbraw/zinc/15/98/96/535159896.db2.gz AWHNXZFBJXTGJX-MCIONIFRSA-N 1 3 310.442 0.788 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000420084275 535184301 /nfs/dbraw/zinc/18/43/01/535184301.db2.gz VUBPSWSZUXGIEX-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333839654 283096146 /nfs/dbraw/zinc/09/61/46/283096146.db2.gz OBGWHAJFWCYBFR-QLFBSQMISA-N 1 3 310.442 0.491 20 0 DCADHO O=C(CNC1CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000566104739 291269850 /nfs/dbraw/zinc/26/98/50/291269850.db2.gz XHPAJBRWDLJSAL-UHFFFAOYSA-N 1 3 318.421 0.661 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)NC(N)=O)[C@@H](C)C1 ZINC000566114984 291271293 /nfs/dbraw/zinc/27/12/93/291271293.db2.gz ALLHSLXAXHQYEW-QWHCGFSZSA-N 1 3 314.430 0.298 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)NC(N)=O)[C@@H](C)C1 ZINC000566114984 291271294 /nfs/dbraw/zinc/27/12/94/291271294.db2.gz ALLHSLXAXHQYEW-QWHCGFSZSA-N 1 3 314.430 0.298 20 0 DCADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)N(C)C ZINC000331592219 296047365 /nfs/dbraw/zinc/04/73/65/296047365.db2.gz IXMZQAREGLGAJW-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[NH2+]CCCNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000566610075 291314783 /nfs/dbraw/zinc/31/47/83/291314783.db2.gz XSSIRGXOLHAAGG-HNNXBMFYSA-N 1 3 313.490 0.559 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420125981 240019677 /nfs/dbraw/zinc/01/96/77/240019677.db2.gz QGTUFMCRPYZUAT-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420324652 240021953 /nfs/dbraw/zinc/02/19/53/240021953.db2.gz AWHNXZFBJXTGJX-MELADBBJSA-N 1 3 310.442 0.788 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000420426906 240026630 /nfs/dbraw/zinc/02/66/30/240026630.db2.gz WSTXVQMWKKWYLU-SNVBAGLBSA-N 1 3 317.459 0.077 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000423566870 240210161 /nfs/dbraw/zinc/21/01/61/240210161.db2.gz CJZSLEMWTZSTOG-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000567097279 291336830 /nfs/dbraw/zinc/33/68/30/291336830.db2.gz IRZDQMFYNZWKFH-UHFFFAOYSA-N 1 3 318.421 0.233 20 0 DCADHO NC(=O)NC(=O)CCNCc1ccccc1C[NH+]1CCCC1 ZINC000567680221 291369389 /nfs/dbraw/zinc/36/93/89/291369389.db2.gz TZFMQLDPEKUQQD-UHFFFAOYSA-N 1 3 304.394 0.957 20 0 DCADHO CC(C)OCC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000567701098 291371335 /nfs/dbraw/zinc/37/13/35/291371335.db2.gz ZHBXHXUYHXCSHU-OAHLLOKOSA-N 1 3 301.475 0.778 20 0 DCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc2c1CCNC2 ZINC000567828778 291382148 /nfs/dbraw/zinc/38/21/48/291382148.db2.gz CRAMVRPYZCJNDW-CQSZACIVSA-N 1 3 302.378 0.139 20 0 DCADHO COCCN1CCC(NC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000569822420 291497521 /nfs/dbraw/zinc/49/75/21/291497521.db2.gz OOTBUUPNALXPPV-UHFFFAOYSA-N 1 3 300.447 0.785 20 0 DCADHO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000571872543 291536569 /nfs/dbraw/zinc/53/65/69/291536569.db2.gz OKPDQPNJGZPQRG-OAHLLOKOSA-N 1 3 322.453 0.271 20 0 DCADHO CN1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2COCCN2)CC1 ZINC000573568381 291640642 /nfs/dbraw/zinc/64/06/42/291640642.db2.gz VWVVOMXLKAZWCS-ZDUSSCGKSA-N 1 3 319.409 0.150 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000417559734 285022097 /nfs/dbraw/zinc/02/20/97/285022097.db2.gz AIMNDKHDIWVKNH-RBSFLKMASA-N 1 3 312.458 0.866 20 0 DCADHO CC(C)[NH+](CCNC(=O)C(=O)NCCN(C)C1CC1)C(C)C ZINC000339607894 253112487 /nfs/dbraw/zinc/11/24/87/253112487.db2.gz GHNYNVWTWWCBLC-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339633455 253117155 /nfs/dbraw/zinc/11/71/55/253117155.db2.gz QNWOCONKHOQHNB-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339633455 253117156 /nfs/dbraw/zinc/11/71/56/253117156.db2.gz QNWOCONKHOQHNB-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000340822507 253310584 /nfs/dbraw/zinc/31/05/84/253310584.db2.gz LQZZOJRKDOAYNL-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000340822507 253310585 /nfs/dbraw/zinc/31/05/85/253310585.db2.gz LQZZOJRKDOAYNL-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000340822508 253310748 /nfs/dbraw/zinc/31/07/48/253310748.db2.gz LQZZOJRKDOAYNL-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000340822508 253310750 /nfs/dbraw/zinc/31/07/50/253310750.db2.gz LQZZOJRKDOAYNL-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000346048709 254002950 /nfs/dbraw/zinc/00/29/50/254002950.db2.gz CDNOIJWYASTFPO-AWEZNQCLSA-N 1 3 310.442 0.032 20 0 DCADHO CN1CCC(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000346048709 254002952 /nfs/dbraw/zinc/00/29/52/254002952.db2.gz CDNOIJWYASTFPO-AWEZNQCLSA-N 1 3 310.442 0.032 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000346118336 254012853 /nfs/dbraw/zinc/01/28/53/254012853.db2.gz BMGMBHXFAVMGHG-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000346529794 254063968 /nfs/dbraw/zinc/06/39/68/254063968.db2.gz BQPQTBDBANOCJR-SWLSCSKDSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000346529794 254063969 /nfs/dbraw/zinc/06/39/69/254063969.db2.gz BQPQTBDBANOCJR-SWLSCSKDSA-N 1 3 322.453 0.138 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347038431 254124559 /nfs/dbraw/zinc/12/45/59/254124559.db2.gz YKRLVUKGNWFIOL-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347038431 254124561 /nfs/dbraw/zinc/12/45/61/254124561.db2.gz YKRLVUKGNWFIOL-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000347974889 254207458 /nfs/dbraw/zinc/20/74/58/254207458.db2.gz WCFBFXYBQIPHKN-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000347730448 254183671 /nfs/dbraw/zinc/18/36/71/254183671.db2.gz IRUZUYBQZFXYKJ-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000347730448 254183672 /nfs/dbraw/zinc/18/36/72/254183672.db2.gz IRUZUYBQZFXYKJ-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[N@@H+]1C ZINC000347961561 254205581 /nfs/dbraw/zinc/20/55/81/254205581.db2.gz IHWYDDXNKLGHGS-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[N@H+]1C ZINC000347961561 254205583 /nfs/dbraw/zinc/20/55/83/254205583.db2.gz IHWYDDXNKLGHGS-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349860134 254301161 /nfs/dbraw/zinc/30/11/61/254301161.db2.gz ZUWBUJONRFQPTI-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000349909797 254303848 /nfs/dbraw/zinc/30/38/48/254303848.db2.gz ZODAAQSOJLGEOK-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000351657613 254356779 /nfs/dbraw/zinc/35/67/79/254356779.db2.gz VDOFYVNZCUBLBV-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000351657613 254356780 /nfs/dbraw/zinc/35/67/80/254356780.db2.gz VDOFYVNZCUBLBV-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000353467518 254457502 /nfs/dbraw/zinc/45/75/02/254457502.db2.gz LRQOHQYNMVYJAI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)N1 ZINC000170936305 285280138 /nfs/dbraw/zinc/28/01/38/285280138.db2.gz ISNGYAMOGUOZSJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)N1 ZINC000170936305 285280142 /nfs/dbraw/zinc/28/01/42/285280142.db2.gz ISNGYAMOGUOZSJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000295017780 224382593 /nfs/dbraw/zinc/38/25/93/224382593.db2.gz MXUUTBVUESAJDA-UAGQMJEPSA-N 1 3 316.449 0.829 20 0 DCADHO C[C@H](NC(=O)c1ccco1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210956 395772211 /nfs/dbraw/zinc/77/22/11/395772211.db2.gz SCEAZDHOLDUMHW-ZDUSSCGKSA-N 1 3 324.425 0.350 20 0 DCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000236689639 395896205 /nfs/dbraw/zinc/89/62/05/395896205.db2.gz FLCFLNRMRWISFI-CJNGLKHVSA-N 1 3 312.458 0.276 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000237084883 395902332 /nfs/dbraw/zinc/90/23/32/395902332.db2.gz RBIXGHZGSKEIGX-NSHDSACASA-N 1 3 320.393 0.950 20 0 DCADHO CC1(C)NC(=O)N(CCN2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000261848051 396071984 /nfs/dbraw/zinc/07/19/84/396071984.db2.gz DDODWZUYDJKXSI-ZDUSSCGKSA-N 1 3 308.426 0.781 20 0 DCADHO COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1O ZINC000261854748 396072802 /nfs/dbraw/zinc/07/28/02/396072802.db2.gz FCGOFPWLEMFRKK-ZDUSSCGKSA-N 1 3 307.394 0.688 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)O1 ZINC000261671951 396054785 /nfs/dbraw/zinc/05/47/85/396054785.db2.gz GJLBMUGAOAVMBJ-XQLPTFJDSA-N 1 3 313.442 0.498 20 0 DCADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000261983238 396086577 /nfs/dbraw/zinc/08/65/77/396086577.db2.gz IXUZUAULSLYMGD-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)N1CCNCC1 ZINC000262021018 396090518 /nfs/dbraw/zinc/09/05/18/396090518.db2.gz GCOCOCHNHWZOJE-MRXNPFEDSA-N 1 3 308.470 0.759 20 0 DCADHO O=C(CC[N@@H+]1CCC[C@@H]1CN1CCCCC1)N1CCNCC1 ZINC000262021018 396090519 /nfs/dbraw/zinc/09/05/19/396090519.db2.gz GCOCOCHNHWZOJE-MRXNPFEDSA-N 1 3 308.470 0.759 20 0 DCADHO O=C(CC[N@H+]1CCC[C@@H]1CN1CCCCC1)N1CCNCC1 ZINC000262021018 396090521 /nfs/dbraw/zinc/09/05/21/396090521.db2.gz GCOCOCHNHWZOJE-MRXNPFEDSA-N 1 3 308.470 0.759 20 0 DCADHO CNC(=O)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262151808 396104089 /nfs/dbraw/zinc/10/40/89/396104089.db2.gz RKJKOFDLMXATPU-INIZCTEOSA-N 1 3 302.422 0.526 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262154080 396105163 /nfs/dbraw/zinc/10/51/63/396105163.db2.gz HWXUNOPUKCRFRR-OAHLLOKOSA-N 1 3 319.453 0.762 20 0 DCADHO Cc1[nH]nc2ncc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc12 ZINC000262176176 396107288 /nfs/dbraw/zinc/10/72/88/396107288.db2.gz VVJNJYGQHVXSGE-AWEZNQCLSA-N 1 3 300.410 0.746 20 0 DCADHO CN1CCC(C(=O)Nc2ccccc2C(=O)NCC[NH3+])CC1 ZINC000262374866 396131955 /nfs/dbraw/zinc/13/19/55/396131955.db2.gz HDHIHRYNJYFYBU-UHFFFAOYSA-N 1 3 304.394 0.655 20 0 DCADHO COc1cc(CNC(=O)[C@@H](C)C[NH3+])ccc1OCCN(C)C ZINC000262405582 396136579 /nfs/dbraw/zinc/13/65/79/396136579.db2.gz PYZOWRKLUZODCN-LBPRGKRZSA-N 1 3 309.410 0.847 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262436274 396139799 /nfs/dbraw/zinc/13/97/99/396139799.db2.gz CGGGKQIOKWLZBJ-HRCADAONSA-N 1 3 303.406 0.490 20 0 DCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262520888 396150252 /nfs/dbraw/zinc/15/02/52/396150252.db2.gz ILERKXDARMRUPB-QWHCGFSZSA-N 1 3 320.437 0.578 20 0 DCADHO C[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)CN1CCN(C)CC1 ZINC000073904280 396153501 /nfs/dbraw/zinc/15/35/01/396153501.db2.gz FNMRRAMOYITWBX-HUUCEWRRSA-N 1 3 313.490 0.509 20 0 DCADHO CCN(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000183915985 396277101 /nfs/dbraw/zinc/27/71/01/396277101.db2.gz QVVCUWXXJFNZGM-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000183915985 396277104 /nfs/dbraw/zinc/27/71/04/396277104.db2.gz QVVCUWXXJFNZGM-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H](Cn1ccnc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077749398 396230830 /nfs/dbraw/zinc/23/08/30/396230830.db2.gz NWRGOSWMIDIVAL-AWEZNQCLSA-N 1 3 310.446 0.406 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188769285 396385860 /nfs/dbraw/zinc/38/58/60/396385860.db2.gz CYVGEAVDSSWZKZ-UHFFFAOYSA-N 1 3 305.426 0.907 20 0 DCADHO CC[NH+](CC)CCCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000191809247 396425144 /nfs/dbraw/zinc/42/51/44/396425144.db2.gz JVWJWMAILWAUOM-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000268887421 396376018 /nfs/dbraw/zinc/37/60/18/396376018.db2.gz ZGLHKVQJFMWEMK-CJNGLKHVSA-N 1 3 316.409 0.770 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000581662531 396573328 /nfs/dbraw/zinc/57/33/28/396573328.db2.gz NIQIWSOEZAZQOJ-QWHCGFSZSA-N 1 3 319.405 0.573 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000581725234 396578972 /nfs/dbraw/zinc/57/89/72/396578972.db2.gz CWJCWNLMTXEILW-MJBXVCDLSA-N 1 3 306.414 0.288 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000581732547 396580360 /nfs/dbraw/zinc/58/03/60/396580360.db2.gz YHOZSCYHOSFGAL-AWEZNQCLSA-N 1 3 324.469 0.422 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)COC[C@@H]1CCCO1 ZINC000530641504 396580574 /nfs/dbraw/zinc/58/05/74/396580574.db2.gz MTXXVSMBWMHGEG-AWEZNQCLSA-N 1 3 301.431 0.134 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000584766106 396621187 /nfs/dbraw/zinc/62/11/87/396621187.db2.gz LCOVRLDDWDAGGV-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[N@H+](CC2CCC2)CC1 ZINC000560741022 396623742 /nfs/dbraw/zinc/62/37/42/396623742.db2.gz RPYLGFDGVTWPQJ-KRWDZBQOSA-N 1 3 320.481 0.711 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000560741022 396623745 /nfs/dbraw/zinc/62/37/45/396623745.db2.gz RPYLGFDGVTWPQJ-KRWDZBQOSA-N 1 3 320.481 0.711 20 0 DCADHO COC(=O)CCN1CC[C@H](N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000595889696 396676990 /nfs/dbraw/zinc/67/69/90/396676990.db2.gz VLOMIWVBLQBHQY-FQUUOJAGSA-N 1 3 309.410 0.210 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CCCO1 ZINC000562815421 396680975 /nfs/dbraw/zinc/68/09/75/396680975.db2.gz MILPSBFJCRLJFY-GDBMZVCRSA-N 1 3 318.421 0.633 20 0 DCADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000562913264 396684985 /nfs/dbraw/zinc/68/49/85/396684985.db2.gz HWTXPXQYEFYBDT-IJEWVQPXSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@H+]1CCCC[C@H]1C ZINC000562913264 396684989 /nfs/dbraw/zinc/68/49/89/396684989.db2.gz HWTXPXQYEFYBDT-IJEWVQPXSA-N 1 3 312.458 0.615 20 0 DCADHO CCN1CCN(C[C@@H](C)C[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629559083 396786409 /nfs/dbraw/zinc/78/64/09/396786409.db2.gz AKDNAKICSCWKPA-IRXDYDNUSA-N 1 3 312.502 0.306 20 0 DCADHO CN1CCN(CCNC(=O)NCCC2=CC[NH2+]CC2)CC1(C)C ZINC000563590540 396755363 /nfs/dbraw/zinc/75/53/63/396755363.db2.gz BGHOCZCBOBWKSW-UHFFFAOYSA-N 1 3 323.485 0.621 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)N1CCN(C)CC1 ZINC000314016667 396775963 /nfs/dbraw/zinc/77/59/63/396775963.db2.gz HEDRTWXAUYDPTH-NWDGAFQWSA-N 1 3 306.401 0.357 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000634259997 396823784 /nfs/dbraw/zinc/82/37/84/396823784.db2.gz PBPYSPFTBHAMDF-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000634259999 396824027 /nfs/dbraw/zinc/82/40/27/396824027.db2.gz PBPYSPFTBHAMDF-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C ZINC000629598168 396804815 /nfs/dbraw/zinc/80/48/15/396804815.db2.gz VAIFCIQDLLSZEC-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCN1CC[C@@H](O)C1 ZINC000629606170 396806252 /nfs/dbraw/zinc/80/62/52/396806252.db2.gz DHUAXMULEJFOFC-SJORKVTESA-N 1 3 307.438 0.136 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCN1CC[C@@H](O)C1 ZINC000629606170 396806255 /nfs/dbraw/zinc/80/62/55/396806255.db2.gz DHUAXMULEJFOFC-SJORKVTESA-N 1 3 307.438 0.136 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000629976758 396901932 /nfs/dbraw/zinc/90/19/32/396901932.db2.gz BIFWUFZWOFCENZ-DOTOQJQBSA-N 1 3 322.497 0.955 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000611652411 396903081 /nfs/dbraw/zinc/90/30/81/396903081.db2.gz YRPKPYWJQZTAJK-IPYPFGDCSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000611652411 396903088 /nfs/dbraw/zinc/90/30/88/396903088.db2.gz YRPKPYWJQZTAJK-IPYPFGDCSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1=O ZINC000634761279 396909193 /nfs/dbraw/zinc/90/91/93/396909193.db2.gz XHZYJQKONOTSNL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340265676 396967867 /nfs/dbraw/zinc/96/78/67/396967867.db2.gz QDNHCJSYRBBIRN-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340265676 396967872 /nfs/dbraw/zinc/96/78/72/396967872.db2.gz QDNHCJSYRBBIRN-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000339585434 396960220 /nfs/dbraw/zinc/96/02/20/396960220.db2.gz XLORMIPMMCWNLX-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000339585434 396960221 /nfs/dbraw/zinc/96/02/21/396960221.db2.gz XLORMIPMMCWNLX-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600981091 396981051 /nfs/dbraw/zinc/98/10/51/396981051.db2.gz SFIRSQIZCBUHAG-LSDHHAIUSA-N 1 3 322.453 0.411 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600981091 396981053 /nfs/dbraw/zinc/98/10/53/396981053.db2.gz SFIRSQIZCBUHAG-LSDHHAIUSA-N 1 3 322.453 0.411 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)CN1CCN(C)CC1 ZINC000343246672 396994807 /nfs/dbraw/zinc/99/48/07/396994807.db2.gz DYFNGGDTJAGXBO-XMTFNYHQSA-N 1 3 324.513 0.617 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343638167 396998231 /nfs/dbraw/zinc/99/82/31/396998231.db2.gz JVXFMFHRVHILBJ-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343638167 396998249 /nfs/dbraw/zinc/99/82/49/396998249.db2.gz JVXFMFHRVHILBJ-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377529343 397095442 /nfs/dbraw/zinc/09/54/42/397095442.db2.gz BRSLXDVGEJEDRP-JKSUJKDBSA-N 1 3 302.422 0.063 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](N)c3ccccc3)C2)CC1 ZINC000377198225 397047316 /nfs/dbraw/zinc/04/73/16/397047316.db2.gz OPYNYGNIFHWDBX-WBVHZDCISA-N 1 3 316.449 0.971 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](N)c3ccccc3)C2)CC1 ZINC000377198225 397047319 /nfs/dbraw/zinc/04/73/19/397047319.db2.gz OPYNYGNIFHWDBX-WBVHZDCISA-N 1 3 316.449 0.971 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](N)c3ccccc3)C2)CC1 ZINC000377198225 397047320 /nfs/dbraw/zinc/04/73/20/397047320.db2.gz OPYNYGNIFHWDBX-WBVHZDCISA-N 1 3 316.449 0.971 20 0 DCADHO CCc1nn(C)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000573404220 397165333 /nfs/dbraw/zinc/16/53/33/397165333.db2.gz FIHWYGYKRXOJPA-UHFFFAOYSA-N 1 3 310.446 0.940 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000573464927 397171188 /nfs/dbraw/zinc/17/11/88/397171188.db2.gz CVYJTGQEWWZDGS-HUUCEWRRSA-N 1 3 308.470 0.518 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCC1 ZINC000573467298 397171557 /nfs/dbraw/zinc/17/15/57/397171557.db2.gz SBSWVWYLRXTOSH-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO CSC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000364450760 397205011 /nfs/dbraw/zinc/20/50/11/397205011.db2.gz TVVOEPMPLFTWSM-KFWWJZLASA-N 1 3 301.500 0.668 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CCO1 ZINC000592560472 397216234 /nfs/dbraw/zinc/21/62/34/397216234.db2.gz UYSMCNOILLFRSP-CHWSQXEVSA-N 1 3 321.425 0.122 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000574070460 397233393 /nfs/dbraw/zinc/23/33/93/397233393.db2.gz CRLISBXUMCOFDU-KKUMJFAQSA-N 1 3 322.453 0.411 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000574070461 397233961 /nfs/dbraw/zinc/23/39/61/397233961.db2.gz CRLISBXUMCOFDU-RRFJBIMHSA-N 1 3 322.453 0.411 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620482364 397279634 /nfs/dbraw/zinc/27/96/34/397279634.db2.gz NGXPAWYCDQTMSW-IJEWVQPXSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620482364 397279637 /nfs/dbraw/zinc/27/96/37/397279637.db2.gz NGXPAWYCDQTMSW-IJEWVQPXSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)N(C)C1CC1 ZINC000592958552 397303501 /nfs/dbraw/zinc/30/35/01/397303501.db2.gz DCGGQVVQDAQHGX-RYUDHWBXSA-N 1 3 305.426 0.932 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000577608374 397344708 /nfs/dbraw/zinc/34/47/08/397344708.db2.gz FCQWSWWGOWZRHI-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N(C)C ZINC000366236288 397355330 /nfs/dbraw/zinc/35/53/30/397355330.db2.gz LEUYKPMKGWMUDB-HOTGVXAUSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N(C)C ZINC000366236288 397355333 /nfs/dbraw/zinc/35/53/33/397355333.db2.gz LEUYKPMKGWMUDB-HOTGVXAUSA-N 1 3 310.486 0.954 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419034476 397378360 /nfs/dbraw/zinc/37/83/60/397378360.db2.gz ZRGHUSDIRQPEPL-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419770592 397382162 /nfs/dbraw/zinc/38/21/62/397382162.db2.gz FTOQPLRCZVRUFU-DYVFJYSZSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000369044529 397431166 /nfs/dbraw/zinc/43/11/66/397431166.db2.gz OKIGZUZGHLEXEM-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000369044529 397431169 /nfs/dbraw/zinc/43/11/69/397431169.db2.gz OKIGZUZGHLEXEM-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)C)CC1=O ZINC000608012909 397713988 /nfs/dbraw/zinc/71/39/88/397713988.db2.gz MAYRLGILYOUUKN-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC[NH+](C)C)CC1 ZINC000608615081 397740843 /nfs/dbraw/zinc/74/08/43/397740843.db2.gz JFAZMCVHHOEXKN-HNNXBMFYSA-N 1 3 313.490 0.511 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCNC2)[C@H](C)C1 ZINC000371273875 286061443 /nfs/dbraw/zinc/06/14/43/286061443.db2.gz SMWAWGRETAATFB-IJEWVQPXSA-N 1 3 315.433 0.941 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCNC2)[C@H](C)C1 ZINC000371273875 286061444 /nfs/dbraw/zinc/06/14/44/286061444.db2.gz SMWAWGRETAATFB-IJEWVQPXSA-N 1 3 315.433 0.941 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC000136843757 158344435 /nfs/dbraw/zinc/34/44/35/158344435.db2.gz UIMFGVQHEANQMC-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000359273613 159260138 /nfs/dbraw/zinc/26/01/38/159260138.db2.gz NHQVTVXNCNRXKH-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000359273613 159260140 /nfs/dbraw/zinc/26/01/40/159260140.db2.gz NHQVTVXNCNRXKH-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418829908 286824789 /nfs/dbraw/zinc/82/47/89/286824789.db2.gz FASRLVYFRZUMRP-DZGCQCFKSA-N 1 3 320.437 0.081 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000119369895 286947472 /nfs/dbraw/zinc/94/74/72/286947472.db2.gz NUUYCRCVTKEBFU-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000340217228 287149071 /nfs/dbraw/zinc/14/90/71/287149071.db2.gz DLLYPFBPTLVMOO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000340217228 287149073 /nfs/dbraw/zinc/14/90/73/287149073.db2.gz DLLYPFBPTLVMOO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000342088793 287152191 /nfs/dbraw/zinc/15/21/91/287152191.db2.gz ANGOZWWIUXLCBM-JONQDZQNSA-N 1 3 308.470 0.598 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418171215 287239806 /nfs/dbraw/zinc/23/98/06/287239806.db2.gz NRLAAZDAKYOOTH-AWEZNQCLSA-N 1 3 313.490 0.829 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCN1CCCO ZINC000418342925 287244923 /nfs/dbraw/zinc/24/49/23/287244923.db2.gz JAUCWEJHYMBLIU-HUUCEWRRSA-N 1 3 312.458 0.522 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418378142 287246468 /nfs/dbraw/zinc/24/64/68/287246468.db2.gz HTDOSZONAJVRLW-ZIAGYGMSSA-N 1 3 300.447 0.722 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000418992124 287259150 /nfs/dbraw/zinc/25/91/50/287259150.db2.gz ZKWRUVDVIJGNRD-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000418992124 287259151 /nfs/dbraw/zinc/25/91/51/287259151.db2.gz ZKWRUVDVIJGNRD-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419023029 287262380 /nfs/dbraw/zinc/26/23/80/287262380.db2.gz IXKSTIVQNQQUNE-KFWWJZLASA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C[C@@H]1[NH3+] ZINC000418995927 287260551 /nfs/dbraw/zinc/26/05/51/287260551.db2.gz NBVUGHQUFLYZQJ-DOMZBBRYSA-N 1 3 318.421 0.170 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419024468 287263169 /nfs/dbraw/zinc/26/31/69/287263169.db2.gz KWPXUKMUUWSDHT-LJISPDSOSA-N 1 3 324.469 0.276 20 0 DCADHO CN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419179389 287271248 /nfs/dbraw/zinc/27/12/48/287271248.db2.gz IMWLYBCLAHMPNM-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419179389 287271252 /nfs/dbraw/zinc/27/12/52/287271252.db2.gz IMWLYBCLAHMPNM-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420300730 287287198 /nfs/dbraw/zinc/28/71/98/287287198.db2.gz VDLWBYPKRKXDPM-GOEBONIOSA-N 1 3 304.438 0.699 20 0 DCADHO NC(=O)c1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420318433 287290092 /nfs/dbraw/zinc/29/00/92/287290092.db2.gz OAWBEVLFQUQOBX-CQSZACIVSA-N 1 3 302.422 0.907 20 0 DCADHO CCCCNC(=O)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340696 287292313 /nfs/dbraw/zinc/29/23/13/287292313.db2.gz NJJDBIBNPUUVCE-KBPBESRZSA-N 1 3 310.442 0.934 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332085122 415237191 /nfs/dbraw/zinc/23/71/91/415237191.db2.gz FFNLSPGVRZGIRB-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332085122 415237196 /nfs/dbraw/zinc/23/71/96/415237196.db2.gz FFNLSPGVRZGIRB-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N[C@H](C)CN(C)C)CC1 ZINC000352647843 415264549 /nfs/dbraw/zinc/26/45/49/415264549.db2.gz ZNQGJQJSLBNNRK-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000332062821 415223592 /nfs/dbraw/zinc/22/35/92/415223592.db2.gz QOUCRAYQJGDBSO-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000332062821 415223597 /nfs/dbraw/zinc/22/35/97/415223597.db2.gz QOUCRAYQJGDBSO-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000422905860 287302919 /nfs/dbraw/zinc/30/29/19/287302919.db2.gz ZOXQMYPIDNUPCP-SCRDCRAPSA-N 1 3 308.378 0.872 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073716189 415424614 /nfs/dbraw/zinc/42/46/14/415424614.db2.gz YVRJBWRLMWCWMN-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000073716189 415424616 /nfs/dbraw/zinc/42/46/16/415424616.db2.gz YVRJBWRLMWCWMN-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)C2CC[NH+](C)CC2)ccn1 ZINC000342973431 415385648 /nfs/dbraw/zinc/38/56/48/415385648.db2.gz BIJFZUKSRPTQBR-UHFFFAOYSA-N 1 3 320.437 0.980 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)C[NH+]1CCCCC1 ZINC000343200696 415500922 /nfs/dbraw/zinc/50/09/22/415500922.db2.gz UMUZEPJQEZQHMT-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343296447 415539989 /nfs/dbraw/zinc/53/99/89/415539989.db2.gz MOFPEXJHYRLNKP-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000343296447 415539993 /nfs/dbraw/zinc/53/99/93/415539993.db2.gz MOFPEXJHYRLNKP-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO NC(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(F)(F)F ZINC000353442712 415548161 /nfs/dbraw/zinc/54/81/61/415548161.db2.gz GJKRIJFZQNRFAG-ONGXEEELSA-N 1 3 309.332 0.493 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000353456270 415550892 /nfs/dbraw/zinc/55/08/92/415550892.db2.gz ZCGFRKQTCUHJTH-BZUAXINKSA-N 1 3 310.486 0.763 20 0 DCADHO [NH3+][C@H]1CCc2nc(NC(=O)C[C@@H]3CSCCN3)sc2C1 ZINC000343482270 415614619 /nfs/dbraw/zinc/61/46/19/415614619.db2.gz TWZZGVMXHXRFFK-DTWKUNHWSA-N 1 3 312.464 0.993 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000343548618 415633447 /nfs/dbraw/zinc/63/34/47/415633447.db2.gz ZJJFEAZLRULJEL-HOTGVXAUSA-N 1 3 306.454 0.463 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC[C@H]2CCC[NH2+]C2)CCSC1 ZINC000333393024 415636610 /nfs/dbraw/zinc/63/66/10/415636610.db2.gz PAJUGVOQEVNAPU-JSGCOSHPSA-N 1 3 300.472 0.723 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000333429400 415647466 /nfs/dbraw/zinc/64/74/66/415647466.db2.gz UJOGCFAEPVLIOQ-XNISGKROSA-N 1 3 324.469 0.756 20 0 DCADHO CC(C)C[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353581380 415594688 /nfs/dbraw/zinc/59/46/88/415594688.db2.gz WZRJCZSVMCVRMF-JKSUJKDBSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)C[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353581380 415594693 /nfs/dbraw/zinc/59/46/93/415594693.db2.gz WZRJCZSVMCVRMF-JKSUJKDBSA-N 1 3 310.486 0.988 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000333543950 415678661 /nfs/dbraw/zinc/67/86/61/415678661.db2.gz IICQAKHYLPCKAA-ZIAGYGMSSA-N 1 3 306.414 0.112 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000333543950 415678667 /nfs/dbraw/zinc/67/86/67/415678667.db2.gz IICQAKHYLPCKAA-ZIAGYGMSSA-N 1 3 306.414 0.112 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000343710665 415695859 /nfs/dbraw/zinc/69/58/59/415695859.db2.gz FWIXYJXHIVTUAM-JKSUJKDBSA-N 1 3 306.454 0.321 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343778663 415723705 /nfs/dbraw/zinc/72/37/05/415723705.db2.gz ZKHPRIUEFJHZAP-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343778663 415723713 /nfs/dbraw/zinc/72/37/13/415723713.db2.gz ZKHPRIUEFJHZAP-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@H](C)CN1 ZINC000333667776 415713084 /nfs/dbraw/zinc/71/30/84/415713084.db2.gz MORIUUIUWSZYCK-WXLSXGNJSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@H](C)CN1 ZINC000333667776 415713091 /nfs/dbraw/zinc/71/30/91/415713091.db2.gz MORIUUIUWSZYCK-WXLSXGNJSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333792675 415741358 /nfs/dbraw/zinc/74/13/58/415741358.db2.gz GKVFLMGAHRFARD-HOCLYGCPSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000333939763 415767914 /nfs/dbraw/zinc/76/79/14/415767914.db2.gz NLOYPIYDCWXFPZ-KBPBESRZSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[N@H+]1CCC[C@H](C)C1 ZINC000333939763 415767919 /nfs/dbraw/zinc/76/79/19/415767919.db2.gz NLOYPIYDCWXFPZ-KBPBESRZSA-N 1 3 310.442 0.491 20 0 DCADHO CCN1CCCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000333854593 415751491 /nfs/dbraw/zinc/75/14/91/415751491.db2.gz QQNPUUSPFACWFE-UHFFFAOYSA-N 1 3 312.458 0.740 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336855715 415838446 /nfs/dbraw/zinc/83/84/46/415838446.db2.gz IXOQEUPVAPOFAQ-BBRMVZONSA-N 1 3 309.454 0.774 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000296400432 415926669 /nfs/dbraw/zinc/92/66/69/415926669.db2.gz LLCNNWNJSHRXFQ-CHWSQXEVSA-N 1 3 303.410 0.947 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)N(C)C ZINC000125066968 415858823 /nfs/dbraw/zinc/85/88/23/415858823.db2.gz MNJKSMDWMLVCGI-ZIAGYGMSSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)N(C)C ZINC000125066968 415858826 /nfs/dbraw/zinc/85/88/26/415858826.db2.gz MNJKSMDWMLVCGI-ZIAGYGMSSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC000344890044 416003902 /nfs/dbraw/zinc/00/39/02/416003902.db2.gz CLLSEFQFWINGPD-UHFFFAOYSA-N 1 3 314.474 0.584 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC000344890044 416003906 /nfs/dbraw/zinc/00/39/06/416003906.db2.gz CLLSEFQFWINGPD-UHFFFAOYSA-N 1 3 314.474 0.584 20 0 DCADHO [NH3+]CCOCCN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000357027137 416023877 /nfs/dbraw/zinc/02/38/77/416023877.db2.gz JXXLTCMGDZLPRD-UHFFFAOYSA-N 1 3 305.422 0.990 20 0 DCADHO C[C@H](CNC(=O)CCCC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000357165363 416039399 /nfs/dbraw/zinc/03/93/99/416039399.db2.gz OHVBYVOJOVGUMU-BETUJISGSA-N 1 3 300.447 0.289 20 0 DCADHO C[C@H](CNC(=O)CCCC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000357165363 416039403 /nfs/dbraw/zinc/03/94/03/416039403.db2.gz OHVBYVOJOVGUMU-BETUJISGSA-N 1 3 300.447 0.289 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000345692168 416134980 /nfs/dbraw/zinc/13/49/80/416134980.db2.gz MOQPVOFDYLHLAY-NEPJUHHUSA-N 1 3 307.385 0.928 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H]([NH3+])CC(F)F)C[C@@H](C)O1 ZINC000345705567 416136870 /nfs/dbraw/zinc/13/68/70/416136870.db2.gz ZSUNILNKWDFVCJ-IJLUTSLNSA-N 1 3 307.385 0.975 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CN1C1CC1 ZINC000346085538 416187746 /nfs/dbraw/zinc/18/77/46/416187746.db2.gz LWTZWMCDIXAHNC-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](CN1CCOCC1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000341119570 416202190 /nfs/dbraw/zinc/20/21/90/416202190.db2.gz HCSBEDXGXZHKIM-SQNIBIBYSA-N 1 3 324.513 0.665 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000342060493 416276027 /nfs/dbraw/zinc/27/60/27/416276027.db2.gz WODMVSNSJZKHIM-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCNC(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC1 ZINC000359316157 416322370 /nfs/dbraw/zinc/32/23/70/416322370.db2.gz NNWJOFDRSFPAGU-UHFFFAOYSA-N 1 3 312.458 0.833 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000359258460 416317343 /nfs/dbraw/zinc/31/73/43/416317343.db2.gz DRTSZVBHRQIBBD-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000359258460 416317346 /nfs/dbraw/zinc/31/73/46/416317346.db2.gz DRTSZVBHRQIBBD-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000331504415 416321624 /nfs/dbraw/zinc/32/16/24/416321624.db2.gz LJERCLAJZLAFGV-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO COCC1(C(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000358864652 416287579 /nfs/dbraw/zinc/28/75/79/416287579.db2.gz KWCDVXHQPHCDPM-HNNXBMFYSA-N 1 3 315.483 0.556 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)c1 ZINC000415787755 416353771 /nfs/dbraw/zinc/35/37/71/416353771.db2.gz KALVVQRLYFJQFD-UHFFFAOYSA-N 1 3 304.394 0.635 20 0 DCADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419917714 416415239 /nfs/dbraw/zinc/41/52/39/416415239.db2.gz SIHGRQZFUDVTHP-HUUCEWRRSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420064919 416416913 /nfs/dbraw/zinc/41/69/13/416416913.db2.gz PEEZEHQIJARZPK-QLFBSQMISA-N 1 3 324.469 0.561 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418447138 416386880 /nfs/dbraw/zinc/38/68/80/416386880.db2.gz OZTUZSAMCZGFJZ-HUUCEWRRSA-N 1 3 314.474 0.896 20 0 DCADHO CCC[NH2+]CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418490244 416387501 /nfs/dbraw/zinc/38/75/01/416387501.db2.gz PIKYMCARGOQNIK-UHFFFAOYSA-N 1 3 312.458 0.740 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419414617 416401037 /nfs/dbraw/zinc/40/10/37/416401037.db2.gz UASNGQPZQOJVGF-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C1=CCN(C)CC1 ZINC000419623054 416404177 /nfs/dbraw/zinc/40/41/77/416404177.db2.gz HPBLROLFGKRLIB-IUODEOHRSA-N 1 3 322.453 0.387 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N[C@H](CN)C1CC1)[NH+]1CCCCC1 ZINC000419716698 416405088 /nfs/dbraw/zinc/40/50/88/416405088.db2.gz RRJPYMPVZPCJLW-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419756359 416408744 /nfs/dbraw/zinc/40/87/44/416408744.db2.gz AUJZGJTYDCRADI-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419806997 416413567 /nfs/dbraw/zinc/41/35/67/416413567.db2.gz FSZBYUWDBSCSBJ-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458545627 416479385 /nfs/dbraw/zinc/47/93/85/416479385.db2.gz GQHZWRURUXQHSY-IIAWOOMASA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458545627 416479391 /nfs/dbraw/zinc/47/93/91/416479391.db2.gz GQHZWRURUXQHSY-IIAWOOMASA-N 1 3 324.469 0.615 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000583935040 416486395 /nfs/dbraw/zinc/48/63/95/416486395.db2.gz LSSRYPPBGUOVOF-QWHCGFSZSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000361355755 416431297 /nfs/dbraw/zinc/43/12/97/416431297.db2.gz IRBCSZRYWJHGPI-ZBFHGGJFSA-N 1 3 310.486 0.859 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000422966418 416451776 /nfs/dbraw/zinc/45/17/76/416451776.db2.gz RKHZEKRBMFJDBL-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CCC[C@@H](C)C1 ZINC000423333562 416493667 /nfs/dbraw/zinc/49/36/67/416493667.db2.gz QAZZOPNKPJQBEE-KGLIPLIRSA-N 1 3 322.457 0.867 20 0 DCADHO CO[C@@H](CN)C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000584233250 416510449 /nfs/dbraw/zinc/51/04/49/416510449.db2.gz QJWAGMHPRUQKKY-RYUDHWBXSA-N 1 3 324.450 0.588 20 0 DCADHO CN1CCNC[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423526949 416520479 /nfs/dbraw/zinc/52/04/79/416520479.db2.gz VIYJRKGFGOTFRE-KYJSFNMBSA-N 1 3 316.449 0.736 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CCN(C)C)n2)CC[N@@H+]1C ZINC000438704491 416601707 /nfs/dbraw/zinc/60/17/07/416601707.db2.gz CIWLVFSELJLGCL-OLZOCXBDSA-N 1 3 308.430 1.049 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CCN(C)C)n2)CC[N@H+]1C ZINC000438704491 416601710 /nfs/dbraw/zinc/60/17/10/416601710.db2.gz CIWLVFSELJLGCL-OLZOCXBDSA-N 1 3 308.430 1.049 20 0 DCADHO [NH3+]C1(CNC(=O)CCOC2CNC2)C2CC3CC(C2)CC1C3 ZINC000424041280 416608521 /nfs/dbraw/zinc/60/85/21/416608521.db2.gz HQVYHLAXORKYND-UHFFFAOYSA-N 1 3 307.438 0.635 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424141774 416616723 /nfs/dbraw/zinc/61/67/23/416616723.db2.gz XJCMAPKXTBJSKL-KBPBESRZSA-N 1 3 320.441 0.616 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCN1C ZINC000424137479 416617002 /nfs/dbraw/zinc/61/70/02/416617002.db2.gz BZDOGNAMLKWWFS-AGIUHOORSA-N 1 3 306.414 0.415 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424156407 416621017 /nfs/dbraw/zinc/62/10/17/416621017.db2.gz PEQDLSHMUSTGIS-MRVWCRGKSA-N 1 3 318.425 0.415 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000611757101 416665909 /nfs/dbraw/zinc/66/59/09/416665909.db2.gz DSZYWHAOKOXGGK-UKRRQHHQSA-N 1 3 322.453 0.354 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000611757101 416665916 /nfs/dbraw/zinc/66/59/16/416665916.db2.gz DSZYWHAOKOXGGK-UKRRQHHQSA-N 1 3 322.453 0.354 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000545336418 416674484 /nfs/dbraw/zinc/67/44/84/416674484.db2.gz AXMAZSXYHJGBIY-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO COCC[N@H+](C)C[C@@H](O)Cn1cc(CNC2CCCC2)nn1 ZINC000641224624 416745001 /nfs/dbraw/zinc/74/50/01/416745001.db2.gz WMKHEOSBNNISFM-OAHLLOKOSA-N 1 3 311.430 0.249 20 0 DCADHO COCC[N@@H+](C)C[C@@H](O)Cn1cc(CNC2CCCC2)nn1 ZINC000641224624 416745007 /nfs/dbraw/zinc/74/50/07/416745007.db2.gz WMKHEOSBNNISFM-OAHLLOKOSA-N 1 3 311.430 0.249 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000614846098 416712643 /nfs/dbraw/zinc/71/26/43/416712643.db2.gz DZDQIGLZQJDIQY-KGLIPLIRSA-N 1 3 315.483 0.243 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000557137216 416725337 /nfs/dbraw/zinc/72/53/37/416725337.db2.gz CDWHNAFTMFADKP-CVEARBPZSA-N 1 3 318.421 0.630 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000516561567 416725789 /nfs/dbraw/zinc/72/57/89/416725789.db2.gz AVNHTQKKXDPOKZ-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO NC(=O)NC(=O)CCNCc1cccc(C[NH+]2CCCC2)c1 ZINC000516645218 416731541 /nfs/dbraw/zinc/73/15/41/416731541.db2.gz PPHCRBWPXTXJPJ-UHFFFAOYSA-N 1 3 304.394 0.957 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631929419 416809628 /nfs/dbraw/zinc/80/96/28/416809628.db2.gz FPLAEXVAWHQPAQ-CQSZACIVSA-N 1 3 301.456 0.488 20 0 DCADHO C[C@@H]1CCN(S(=O)(=O)CCCN2CCCC2)C[C@@H]1C[NH3+] ZINC000631943987 416821305 /nfs/dbraw/zinc/82/13/05/416821305.db2.gz KTSMMCDNDBFNND-KGLIPLIRSA-N 1 3 303.472 0.719 20 0 DCADHO COCCN(C)C[C@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000519290108 416898962 /nfs/dbraw/zinc/89/89/62/416898962.db2.gz AWQQQDIBXGFKDW-SJORKVTESA-N 1 3 313.486 0.876 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000370692877 416900464 /nfs/dbraw/zinc/90/04/64/416900464.db2.gz VQFJLISRFUBHRH-AWEZNQCLSA-N 1 3 322.457 1.393 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC000371534463 416916694 /nfs/dbraw/zinc/91/66/94/416916694.db2.gz NYIXTLFTTLNXRD-KGLIPLIRSA-N 1 3 320.441 1.003 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970957 416931464 /nfs/dbraw/zinc/93/14/64/416931464.db2.gz GDZXSIIXCOBMKP-NWDGAFQWSA-N 1 3 305.430 0.788 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970957 416931469 /nfs/dbraw/zinc/93/14/69/416931469.db2.gz GDZXSIIXCOBMKP-NWDGAFQWSA-N 1 3 305.430 0.788 20 0 DCADHO COCC[N@H+](C)CCCC1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624075978 416954332 /nfs/dbraw/zinc/95/43/32/416954332.db2.gz BTWFNIFYFPDAPM-UHFFFAOYSA-N 1 3 323.445 0.272 20 0 DCADHO COCC[N@@H+](C)CCCC1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624075978 416954340 /nfs/dbraw/zinc/95/43/40/416954340.db2.gz BTWFNIFYFPDAPM-UHFFFAOYSA-N 1 3 323.445 0.272 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642114163 417029221 /nfs/dbraw/zinc/02/92/21/417029221.db2.gz IRNVTYRIQZIWBU-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000565415998 416977795 /nfs/dbraw/zinc/97/77/95/416977795.db2.gz SPXMUSLBJRRBRY-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CSc1ccc([C@H](CNc2nc(N)nc(N)n2)[NH+](C)C)cc1 ZINC000624247619 416989830 /nfs/dbraw/zinc/98/98/30/416989830.db2.gz MYRGJWMZXPBIGR-NSHDSACASA-N 1 3 319.438 0.555 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1 ZINC000624408917 417034493 /nfs/dbraw/zinc/03/44/93/417034493.db2.gz KHVUTMJQDFXSIC-UHFFFAOYSA-N 1 3 315.439 0.344 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000641820542 417007535 /nfs/dbraw/zinc/00/75/35/417007535.db2.gz BHTNVDOVSDFLTA-UHFFFAOYSA-N 1 3 320.437 0.973 20 0 DCADHO C[NH2+]CCCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431022504 417100344 /nfs/dbraw/zinc/10/03/44/417100344.db2.gz IFHUBLBYWGGWSV-UHFFFAOYSA-N 1 3 319.453 0.710 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642329759 417044311 /nfs/dbraw/zinc/04/43/11/417044311.db2.gz DKVSZZADIYYHTA-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642330376 417044540 /nfs/dbraw/zinc/04/45/40/417044540.db2.gz BRCSKDVGMJZVAU-MGPQQGTHSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000642439538 417051852 /nfs/dbraw/zinc/05/18/52/417051852.db2.gz LFIOSFXEVMARTH-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430652502 417056538 /nfs/dbraw/zinc/05/65/38/417056538.db2.gz NCPHTFAXXWEEEO-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000642722812 417079930 /nfs/dbraw/zinc/07/99/30/417079930.db2.gz IJVAHTGRYUBNOC-KBPBESRZSA-N 1 3 312.458 0.323 20 0 DCADHO [NH3+]C[C@@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430964536 417092448 /nfs/dbraw/zinc/09/24/48/417092448.db2.gz ZJOAHDXJGOXDDU-HNNXBMFYSA-N 1 3 317.437 0.401 20 0 DCADHO CN(CCCNC(=O)C(=O)N(C)CCC[NH3+])Cc1ccccc1 ZINC000568292436 417121851 /nfs/dbraw/zinc/12/18/51/417121851.db2.gz MZVWDSJYJWVUGB-UHFFFAOYSA-N 1 3 320.437 0.432 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000430713698 287349653 /nfs/dbraw/zinc/34/96/53/287349653.db2.gz LGGQHNYFFJDDMB-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO COCCNCC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000449644699 417157528 /nfs/dbraw/zinc/15/75/28/417157528.db2.gz GFSHUECCKLYDDK-GOEBONIOSA-N 1 3 323.412 0.871 20 0 DCADHO CCn1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1=O ZINC000526134567 417190164 /nfs/dbraw/zinc/19/01/64/417190164.db2.gz MMBKBEBZTYGAKK-UHFFFAOYSA-N 1 3 323.441 0.825 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637805590 417190581 /nfs/dbraw/zinc/19/05/81/417190581.db2.gz ZYWHAPUNMJMMNH-BBRMVZONSA-N 1 3 307.394 0.567 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637840732 417202212 /nfs/dbraw/zinc/20/22/12/417202212.db2.gz HVWRYBBOPGPPHW-NVXWUHKLSA-N 1 3 304.438 0.689 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637844930 417205666 /nfs/dbraw/zinc/20/56/66/417205666.db2.gz SSLKXQCGRCWAIP-CVEARBPZSA-N 1 3 306.454 0.935 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637841506 417206017 /nfs/dbraw/zinc/20/60/17/417206017.db2.gz SMSJSPBURDRCNS-OKILXGFUSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637841506 417206022 /nfs/dbraw/zinc/20/60/22/417206022.db2.gz SMSJSPBURDRCNS-OKILXGFUSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N(C)C1CC1 ZINC000569114408 417215291 /nfs/dbraw/zinc/21/52/91/417215291.db2.gz DENYMADBEQLKDC-VXGBXAGGSA-N 1 3 306.414 0.243 20 0 DCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643509369 417228768 /nfs/dbraw/zinc/22/87/68/417228768.db2.gz HMHJGMDERQECPL-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449693668 417165409 /nfs/dbraw/zinc/16/54/09/417165409.db2.gz FBPLTJQGRBYEIO-AWEZNQCLSA-N 1 3 320.437 0.260 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CCN1C ZINC000433397890 417265146 /nfs/dbraw/zinc/26/51/46/417265146.db2.gz CHMSLWFAARRTGU-AGIUHOORSA-N 1 3 306.414 0.415 20 0 DCADHO CCN1CCC(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433413573 417267022 /nfs/dbraw/zinc/26/70/22/417267022.db2.gz LYKBURFLZAGUFV-CYBMUJFWSA-N 1 3 306.414 0.417 20 0 DCADHO C=Cn1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414485633 417285431 /nfs/dbraw/zinc/28/54/31/417285431.db2.gz PRPSRISAGVKIPZ-UHFFFAOYSA-N 1 3 319.453 0.870 20 0 DCADHO CCN(CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000433377292 417259776 /nfs/dbraw/zinc/25/97/76/417259776.db2.gz QAGVYXWWMKEJJV-ZDUSSCGKSA-N 1 3 306.414 0.417 20 0 DCADHO CC(C)CC[NH+]1CCC(CNC(=O)CN2CCNCC2)CC1 ZINC000638133299 417349792 /nfs/dbraw/zinc/34/97/92/417349792.db2.gz VDSUYBUAHDMALV-UHFFFAOYSA-N 1 3 310.486 0.766 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000627326573 417355833 /nfs/dbraw/zinc/35/58/33/417355833.db2.gz VBJKLIMNUCKIRZ-LBPRGKRZSA-N 1 3 300.447 0.276 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000638162214 417360871 /nfs/dbraw/zinc/36/08/71/417360871.db2.gz FNOXNUBRVSRBMK-INIZCTEOSA-N 1 3 318.465 0.952 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CC[NH2+]CC1)Cc1ccccc1 ZINC000638051261 417299374 /nfs/dbraw/zinc/29/93/74/417299374.db2.gz ZQXRYGBZNNVPJI-INIZCTEOSA-N 1 3 304.438 0.181 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414833863 417304908 /nfs/dbraw/zinc/30/49/08/417304908.db2.gz BHABARAUJPFPAI-AWEZNQCLSA-N 1 3 318.421 0.945 20 0 DCADHO CN1CCN(c2ncc(CN[C@@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000414810680 417306413 /nfs/dbraw/zinc/30/64/13/417306413.db2.gz VPVRQRARQFCWPH-JKSUJKDBSA-N 1 3 318.469 0.836 20 0 DCADHO CN1CCN(c2ncc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000414810679 417307000 /nfs/dbraw/zinc/30/70/00/417307000.db2.gz VPVRQRARQFCWPH-HZPDHXFCSA-N 1 3 318.469 0.836 20 0 DCADHO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])ccc1CN(C)C ZINC000621834501 417312166 /nfs/dbraw/zinc/31/21/66/417312166.db2.gz KXEIVVVSXLGSOB-LBPRGKRZSA-N 1 3 306.410 0.849 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621841449 417319397 /nfs/dbraw/zinc/31/93/97/417319397.db2.gz VNBDDWCMXICZMU-BBRMVZONSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621844110 417320749 /nfs/dbraw/zinc/32/07/49/417320749.db2.gz PCZNKPJYEXYIKV-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638098163 417325764 /nfs/dbraw/zinc/32/57/64/417325764.db2.gz ZWJKFXTXQSGNLS-KGLIPLIRSA-N 1 3 308.426 0.093 20 0 DCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000633040655 417333697 /nfs/dbraw/zinc/33/36/97/417333697.db2.gz YVZHBIAWXNSPAT-AAEUAGOBSA-N 1 3 304.394 0.635 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297989 417338469 /nfs/dbraw/zinc/33/84/69/417338469.db2.gz YIRUCIGKPLUULJ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297989 417338476 /nfs/dbraw/zinc/33/84/76/417338476.db2.gz YIRUCIGKPLUULJ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000415206828 417340879 /nfs/dbraw/zinc/34/08/79/417340879.db2.gz BUVCATUDBUKOPN-STQMWFEESA-N 1 3 308.430 1.178 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000627312247 417344802 /nfs/dbraw/zinc/34/48/02/417344802.db2.gz USTYJYHBNOEDFC-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000638248686 417393098 /nfs/dbraw/zinc/39/30/98/417393098.db2.gz UDJHIFKCZALRKT-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCCN2CCCO)n1 ZINC000570813339 417394500 /nfs/dbraw/zinc/39/45/00/417394500.db2.gz FDCYNJPXTIUTII-CQSZACIVSA-N 1 3 323.441 0.021 20 0 DCADHO C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)[C@H](C)[NH3+] ZINC000638257113 417395891 /nfs/dbraw/zinc/39/58/91/417395891.db2.gz SWHPYTZLOFTLMM-WDEREUQCSA-N 1 3 319.409 0.769 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000638293815 417411189 /nfs/dbraw/zinc/41/11/89/417411189.db2.gz SBTPTNKUDHTYOD-DZGCQCFKSA-N 1 3 312.458 0.914 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638177028 417366063 /nfs/dbraw/zinc/36/60/63/417366063.db2.gz HFMZYWSGIFQTCN-KBMXLJTQSA-N 1 3 304.438 0.560 20 0 DCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)C2 ZINC000622027156 417369662 /nfs/dbraw/zinc/36/96/62/417369662.db2.gz YHJWLSWXOCDXJD-VBQJREDUSA-N 1 3 320.437 0.023 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638194523 417369749 /nfs/dbraw/zinc/36/97/49/417369749.db2.gz CHRKAGVYKKVGAI-HZPDHXFCSA-N 1 3 304.438 0.704 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622025188 417369971 /nfs/dbraw/zinc/36/99/71/417369971.db2.gz MDYIVDLUBGNLSD-RHSMWYFYSA-N 1 3 324.469 0.372 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000415363546 417373301 /nfs/dbraw/zinc/37/33/01/417373301.db2.gz DODKCPFQJUYQLK-UHFFFAOYSA-N 1 3 306.410 0.721 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000570652457 417377522 /nfs/dbraw/zinc/37/75/22/417377522.db2.gz UHCJFXLSAIGKGM-ZDUSSCGKSA-N 1 3 320.393 0.044 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CCOC2CNC2)CC[C@@H]1C(F)(F)F ZINC000638556484 417487691 /nfs/dbraw/zinc/48/76/91/417487691.db2.gz LFJNGNAMVYSMBI-KOLCDFICSA-N 1 3 309.332 0.351 20 0 DCADHO CO[C@H](CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCOC1 ZINC000638571648 417491698 /nfs/dbraw/zinc/49/16/98/417491698.db2.gz OCARPOCAZRQGNY-RRFJBIMHSA-N 1 3 313.442 0.215 20 0 DCADHO CO[C@H](CNCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCOC1 ZINC000638571648 417491700 /nfs/dbraw/zinc/49/17/00/417491700.db2.gz OCARPOCAZRQGNY-RRFJBIMHSA-N 1 3 313.442 0.215 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@@]2(COC)CCCCN2)CC1 ZINC000638386396 417437249 /nfs/dbraw/zinc/43/72/49/417437249.db2.gz LYOCGXXBQADOKN-INIZCTEOSA-N 1 3 313.442 0.372 20 0 DCADHO O=C(CN1CC[NH2+]CC1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000638418962 417451192 /nfs/dbraw/zinc/45/11/92/417451192.db2.gz PWKBLLNMKWJWPB-OAHLLOKOSA-N 1 3 304.394 0.191 20 0 DCADHO NCc1cccc2c1N(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CCC2 ZINC000638545176 417486283 /nfs/dbraw/zinc/48/62/83/417486283.db2.gz QGDMWLDESOPMBD-AWEZNQCLSA-N 1 3 316.405 0.293 20 0 DCADHO C(CN1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1)N1CCOCC1 ZINC000530177332 417547820 /nfs/dbraw/zinc/54/78/20/417547820.db2.gz GCYZWLFTJKQJFF-KRWDZBQOSA-N 1 3 322.497 0.657 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638800055 417560621 /nfs/dbraw/zinc/56/06/21/417560621.db2.gz JDBUJMAHFYOTJZ-OAGGEKHMSA-N 1 3 303.406 0.741 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638800055 417560625 /nfs/dbraw/zinc/56/06/25/417560625.db2.gz JDBUJMAHFYOTJZ-OAGGEKHMSA-N 1 3 303.406 0.741 20 0 DCADHO COC[C@@]1(C(=O)Nc2cc(N3CCNCC3)ccn2)CC[NH2+]C1 ZINC000638985838 417598713 /nfs/dbraw/zinc/59/87/13/417598713.db2.gz PBLAWGKZIGZOFM-MRXNPFEDSA-N 1 3 319.409 0.056 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1CCC[NH2+]CC1 ZINC000638986059 417599450 /nfs/dbraw/zinc/59/94/50/417599450.db2.gz SUFOTXZUWLWDRL-ZDUSSCGKSA-N 1 3 303.410 0.819 20 0 DCADHO O=C(CC1CC[NH2+]CC1)Nc1cc(N2CCNCC2)ccn1 ZINC000638986890 417599864 /nfs/dbraw/zinc/59/98/64/417599864.db2.gz GVBVPSVFXNHPSD-UHFFFAOYSA-N 1 3 303.410 0.819 20 0 DCADHO [NH3+]CC1(O)CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000576398590 417607155 /nfs/dbraw/zinc/60/71/55/417607155.db2.gz SIELOIKMWPGQJY-MRXNPFEDSA-N 1 3 317.433 0.963 20 0 DCADHO CCN1CCN(CCC[NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000638852257 417569046 /nfs/dbraw/zinc/56/90/46/417569046.db2.gz DFNODRFMFYQRAH-UHFFFAOYSA-N 1 3 312.502 0.714 20 0 DCADHO [NH3+][C@H](CCNC(=O)CNC[C@H]1CCCO1)Cc1ccccc1 ZINC000638873750 417573406 /nfs/dbraw/zinc/57/34/06/417573406.db2.gz KXJGPSUISWMTOQ-HZPDHXFCSA-N 1 3 305.422 0.831 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H]1CCCC(=O)N1 ZINC000644635057 417636150 /nfs/dbraw/zinc/63/61/50/417636150.db2.gz NJAMHUFNDRWCGL-JKSUJKDBSA-N 1 3 305.422 0.738 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H]1CCCC(=O)N1 ZINC000644635057 417636157 /nfs/dbraw/zinc/63/61/57/417636157.db2.gz NJAMHUFNDRWCGL-JKSUJKDBSA-N 1 3 305.422 0.738 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC1CC[NH+](CC)CC1)C1CC1 ZINC000576773178 417638581 /nfs/dbraw/zinc/63/85/81/417638581.db2.gz GNHJGNQHZRMTGC-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(O)CN1CCC([NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000639220276 417641441 /nfs/dbraw/zinc/64/14/41/417641441.db2.gz WSZPEEVTAZPTEJ-MRXNPFEDSA-N 1 3 313.486 0.658 20 0 DCADHO CN1CCC(C[NH2+][C@@H]2CCCNC(=O)C2)(N2CCOCC2)CC1 ZINC000639261658 417647868 /nfs/dbraw/zinc/64/78/68/417647868.db2.gz PWPREICSLIFYMO-OAHLLOKOSA-N 1 3 324.469 0.041 20 0 DCADHO C[C@@H](NC(=O)[C@@H](N)CC(F)F)C(=O)NCC[NH+]1CCCCC1 ZINC000580831690 417724639 /nfs/dbraw/zinc/72/46/39/417724639.db2.gz BXFFPAJBEJSWLB-MNOVXSKESA-N 1 3 320.384 0.076 20 0 DCADHO C[NH+]1CCC2(CC1)CN(C(=O)N[C@@H]1CCN(C3CC3)C1)CCO2 ZINC000645295078 417727273 /nfs/dbraw/zinc/72/72/73/417727273.db2.gz XJBRYSXXWCPIOO-CQSZACIVSA-N 1 3 322.453 0.729 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCOC3(CCN(C)CC3)C2)CC[N@@H+]1C ZINC000645324032 417730882 /nfs/dbraw/zinc/73/08/82/417730882.db2.gz XZOCLSXJMUPKQR-HUUCEWRRSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCOC3(CCN(C)CC3)C2)CC[N@H+]1C ZINC000645324032 417730887 /nfs/dbraw/zinc/73/08/87/417730887.db2.gz XZOCLSXJMUPKQR-HUUCEWRRSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN1CCCO)C(C)C ZINC000458199413 417731442 /nfs/dbraw/zinc/73/14/42/417731442.db2.gz IOHIDAJAUHKNBG-OAHLLOKOSA-N 1 3 314.474 0.863 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN1CCCO)C(C)C ZINC000458199413 417731447 /nfs/dbraw/zinc/73/14/47/417731447.db2.gz IOHIDAJAUHKNBG-OAHLLOKOSA-N 1 3 314.474 0.863 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000645953304 417830106 /nfs/dbraw/zinc/83/01/06/417830106.db2.gz OYTRDKBTVUWTJF-DKUMPPAJSA-N 1 3 305.422 0.402 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662637933 417830255 /nfs/dbraw/zinc/83/02/55/417830255.db2.gz MPLVIFWQUOHKSN-INIZCTEOSA-N 1 3 320.437 0.774 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336070 417834842 /nfs/dbraw/zinc/83/48/42/417834842.db2.gz HGOBHXDZLSIFKM-CGEFAEBTSA-N 1 3 307.438 0.729 20 0 DCADHO CO[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)[C@](C)(CO)C1 ZINC000639997587 417776429 /nfs/dbraw/zinc/77/64/29/417776429.db2.gz ARKKLMCBZMLJNF-SJORKVTESA-N 1 3 313.486 0.874 20 0 DCADHO CO[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)[C@](C)(CO)C1 ZINC000639997587 417776430 /nfs/dbraw/zinc/77/64/30/417776430.db2.gz ARKKLMCBZMLJNF-SJORKVTESA-N 1 3 313.486 0.874 20 0 DCADHO O=C(C[C@H]1NCc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662517188 417789658 /nfs/dbraw/zinc/78/96/58/417789658.db2.gz KJLUBFMKHDCMHB-DOTOQJQBSA-N 1 3 314.433 0.727 20 0 DCADHO COCC1(C(=O)NCCN2CCC(OC)CC2)CC[NH2+]CC1 ZINC000646180787 417799654 /nfs/dbraw/zinc/79/96/54/417799654.db2.gz BBIFQTZPOASUGY-UHFFFAOYSA-N 1 3 313.442 0.230 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000646221364 417815109 /nfs/dbraw/zinc/81/51/09/417815109.db2.gz FKSCCPIUZFGVJT-HOCLYGCPSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000646221364 417815116 /nfs/dbraw/zinc/81/51/16/417815116.db2.gz FKSCCPIUZFGVJT-HOCLYGCPSA-N 1 3 309.454 0.966 20 0 DCADHO CN1CC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681369 417848754 /nfs/dbraw/zinc/84/87/54/417848754.db2.gz GBLYFHCYAGXRFI-QWHCGFSZSA-N 1 3 306.414 0.274 20 0 DCADHO C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)CN1CCN(C)CC1 ZINC000652159308 417853383 /nfs/dbraw/zinc/85/33/83/417853383.db2.gz VRPIPPPTAFJWTH-AWEZNQCLSA-N 1 3 311.474 0.298 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NCCC2(C[NH3+])CC2)CCCO1 ZINC000652182929 417857625 /nfs/dbraw/zinc/85/76/25/417857625.db2.gz HRKUNAXBKODJKN-AWEZNQCLSA-N 1 3 312.458 0.916 20 0 DCADHO CN(CCCC[NH+]1CCCCC1)Cc1cc(=O)n(C)c(=O)n1C ZINC000640531723 417865228 /nfs/dbraw/zinc/86/52/28/417865228.db2.gz PNLVTLCAKLOQIR-UHFFFAOYSA-N 1 3 322.453 0.782 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662726191 417874678 /nfs/dbraw/zinc/87/46/78/417874678.db2.gz FLURBCKIOMHBHB-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCC[NH2+]C1 ZINC000662749498 417885807 /nfs/dbraw/zinc/88/58/07/417885807.db2.gz IVROXUHPKFPTLL-QWRGUYRKSA-N 1 3 307.398 0.283 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662753651 417890952 /nfs/dbraw/zinc/89/09/52/417890952.db2.gz UUOBIMYQJYQLQR-HUUCEWRRSA-N 1 3 313.442 0.356 20 0 DCADHO CN1CCN(CCCNC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662754592 417891915 /nfs/dbraw/zinc/89/19/15/417891915.db2.gz ROURVBNOKVKPJO-UHFFFAOYSA-N 1 3 302.422 0.657 20 0 DCADHO CC[NH+]1CCN(CCNC(=O)c2cc(C(C)(C)N)no2)CC1 ZINC000662759406 417895212 /nfs/dbraw/zinc/89/52/12/417895212.db2.gz VQXFSNZZRYTWOW-UHFFFAOYSA-N 1 3 309.414 0.236 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)nn1 ZINC000662835377 417920970 /nfs/dbraw/zinc/92/09/70/417920970.db2.gz MQCNKVNIXIVTRE-HIFRSBDPSA-N 1 3 320.441 0.764 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)nn1 ZINC000662835379 417921350 /nfs/dbraw/zinc/92/13/50/417921350.db2.gz MQCNKVNIXIVTRE-ZFWWWQNUSA-N 1 3 320.441 0.764 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@H]1CCCS(=O)(=O)C1 ZINC000658108258 417939982 /nfs/dbraw/zinc/93/99/82/417939982.db2.gz QGCHDHGEMJAKSJ-KBPBESRZSA-N 1 3 305.488 0.425 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652675252 417941020 /nfs/dbraw/zinc/94/10/20/417941020.db2.gz RKKRYEPTMLFZJH-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO CN(C(=O)c1coc(CN)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900916 417944249 /nfs/dbraw/zinc/94/42/49/417944249.db2.gz QEKAMEHOBHEVEW-OAHLLOKOSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1coc(CN)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900916 417944252 /nfs/dbraw/zinc/94/42/52/417944252.db2.gz QEKAMEHOBHEVEW-OAHLLOKOSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1coc(CN)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900916 417944255 /nfs/dbraw/zinc/94/42/55/417944255.db2.gz QEKAMEHOBHEVEW-OAHLLOKOSA-N 1 3 320.437 0.979 20 0 DCADHO CCCN(C(=O)C(=O)N(C)CCN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000652732529 417959921 /nfs/dbraw/zinc/95/99/21/417959921.db2.gz MSTLXMNMBXUCIM-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000662974009 417969615 /nfs/dbraw/zinc/96/96/15/417969615.db2.gz YKFCSEMAXPDOMW-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO C[N@H+](C[C@H](O)CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC1 ZINC000663366113 418013108 /nfs/dbraw/zinc/01/31/08/418013108.db2.gz UQXLEFKGEAUVTO-BRWVUGGUSA-N 1 3 323.481 0.675 20 0 DCADHO C[N@@H+](C[C@H](O)CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC1 ZINC000663366113 418013109 /nfs/dbraw/zinc/01/31/09/418013109.db2.gz UQXLEFKGEAUVTO-BRWVUGGUSA-N 1 3 323.481 0.675 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000647489692 418014892 /nfs/dbraw/zinc/01/48/92/418014892.db2.gz ZHEXULVFHSQDNX-CYBMUJFWSA-N 1 3 301.394 0.621 20 0 DCADHO Nc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000647509525 418016571 /nfs/dbraw/zinc/01/65/71/418016571.db2.gz LLRIWPYIISCBKV-DZGCQCFKSA-N 1 3 317.437 0.574 20 0 DCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CC[NH+](C)C ZINC000653111953 418027865 /nfs/dbraw/zinc/02/78/65/418027865.db2.gz HJLZHQYZAUCCAB-HZPDHXFCSA-N 1 3 306.454 0.555 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000647597224 418032063 /nfs/dbraw/zinc/03/20/63/418032063.db2.gz VXAMDZIXBBUTBR-QWHCGFSZSA-N 1 3 324.425 0.412 20 0 DCADHO CN(CC1CN(C)C1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000663578414 418034935 /nfs/dbraw/zinc/03/49/35/418034935.db2.gz AYAJBUNUZZZWNI-UHFFFAOYSA-N 1 3 311.474 0.215 20 0 DCADHO C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000653164604 418041176 /nfs/dbraw/zinc/04/11/76/418041176.db2.gz YYPBHPXALOTNCB-NWANDNLSSA-N 1 3 308.401 0.358 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CCOC2CNC2)C1 ZINC000653259987 418049926 /nfs/dbraw/zinc/04/99/26/418049926.db2.gz BDBJKIVRQWLABK-VHDGCEQUSA-N 1 3 311.426 0.252 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)C[C@H]1C[NH3+] ZINC000653248847 418047496 /nfs/dbraw/zinc/04/74/96/418047496.db2.gz GLCNMLJUNLXMQH-FVQBIDKESA-N 1 3 303.406 0.696 20 0 DCADHO NCc1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)o1 ZINC000647085508 417984935 /nfs/dbraw/zinc/98/49/35/417984935.db2.gz IFTDCRSPKGTGDC-UHFFFAOYSA-N 1 3 306.410 0.685 20 0 DCADHO NCc1ccc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)o1 ZINC000647085508 417984940 /nfs/dbraw/zinc/98/49/40/417984940.db2.gz IFTDCRSPKGTGDC-UHFFFAOYSA-N 1 3 306.410 0.685 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659509183 418108398 /nfs/dbraw/zinc/10/83/98/418108398.db2.gz XUTFDVYINYWRSK-LSDHHAIUSA-N 1 3 310.442 0.681 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648153397 418109007 /nfs/dbraw/zinc/10/90/07/418109007.db2.gz GCUXVDZGDGKQOQ-ZDUSSCGKSA-N 1 3 318.412 0.327 20 0 DCADHO C[C@]1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659528269 418111472 /nfs/dbraw/zinc/11/14/72/418111472.db2.gz DAULVKWIJNEAPX-RDJZCZTQSA-N 1 3 324.469 0.929 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659539703 418114041 /nfs/dbraw/zinc/11/40/41/418114041.db2.gz QUNROGXYBWMKHG-SNPRPXQTSA-N 1 3 310.442 0.537 20 0 DCADHO CCN(C(=O)NCCN(C)CCOC)[C@@H]1CC[N@H+](CC)C1 ZINC000663937145 418068877 /nfs/dbraw/zinc/06/88/77/418068877.db2.gz DJMKGWOHIGCMAT-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CCN(C(=O)NCCN(C)CCOC)[C@@H]1CC[N@@H+](CC)C1 ZINC000663937145 418068878 /nfs/dbraw/zinc/06/88/78/418068878.db2.gz DJMKGWOHIGCMAT-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO C[NH+](C)C1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659556450 418118405 /nfs/dbraw/zinc/11/84/05/418118405.db2.gz SPAHNQNSQKSFII-UHFFFAOYSA-N 1 3 322.413 0.313 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000659431485 418096660 /nfs/dbraw/zinc/09/66/60/418096660.db2.gz NLXNKYQRUOWSDB-OAHLLOKOSA-N 1 3 313.490 0.685 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CCN(c2ccncc2OC)CC1 ZINC000653654255 418099649 /nfs/dbraw/zinc/09/96/49/418099649.db2.gz GYBTVKVYIQRZRH-CQSZACIVSA-N 1 3 308.426 0.525 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccncc2OC)CC1 ZINC000653654255 418099652 /nfs/dbraw/zinc/09/96/52/418099652.db2.gz GYBTVKVYIQRZRH-CQSZACIVSA-N 1 3 308.426 0.525 20 0 DCADHO C[NH+]1CCC(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659450478 418099761 /nfs/dbraw/zinc/09/97/61/418099761.db2.gz AZZBJVWBZUOEDF-UHFFFAOYSA-N 1 3 322.413 0.172 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000659461134 418100975 /nfs/dbraw/zinc/10/09/75/418100975.db2.gz WVWCHLOAPNDDBB-HUUCEWRRSA-N 1 3 313.490 0.543 20 0 DCADHO CN(C)CCC[N@H+](C)CCNc1ccnc(N2CCOCC2)n1 ZINC000664247982 418103428 /nfs/dbraw/zinc/10/34/28/418103428.db2.gz LDVXITHATNNBAH-UHFFFAOYSA-N 1 3 322.457 0.609 20 0 DCADHO CN(C)CCC[N@@H+](C)CCNc1ccnc(N2CCOCC2)n1 ZINC000664247982 418103432 /nfs/dbraw/zinc/10/34/32/418103432.db2.gz LDVXITHATNNBAH-UHFFFAOYSA-N 1 3 322.457 0.609 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H]1O ZINC000664505106 418129713 /nfs/dbraw/zinc/12/97/13/418129713.db2.gz MWJCTAXCBTXLBT-WUCCLRPBSA-N 1 3 312.458 0.423 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654733006 418180501 /nfs/dbraw/zinc/18/05/01/418180501.db2.gz LKBHKJJYAUXFKG-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654733006 418180505 /nfs/dbraw/zinc/18/05/05/418180505.db2.gz LKBHKJJYAUXFKG-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659679999 418143888 /nfs/dbraw/zinc/14/38/88/418143888.db2.gz IPSQEWJNVBQQBK-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@H](CN)C1 ZINC000659681519 418144898 /nfs/dbraw/zinc/14/48/98/418144898.db2.gz ILLUVLWPPRMYDI-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H](CN)C1 ZINC000659681519 418144901 /nfs/dbraw/zinc/14/49/01/418144901.db2.gz ILLUVLWPPRMYDI-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CC2CC1(CN)C2)C(C)(C)C[NH+](C)C ZINC000659701255 418152614 /nfs/dbraw/zinc/15/26/14/418152614.db2.gz ZPWRCYDFUHYNHE-FZWSLVFFSA-N 1 3 310.442 0.029 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2ncncc2C1 ZINC000648770522 418153086 /nfs/dbraw/zinc/15/30/86/418153086.db2.gz MCNUWZPVKIIVOW-CQSZACIVSA-N 1 3 319.453 0.533 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659702927 418153957 /nfs/dbraw/zinc/15/39/57/418153957.db2.gz UEVAWZREZYNQLC-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659718927 418161584 /nfs/dbraw/zinc/16/15/84/418161584.db2.gz RTOSINXRQDTZEI-ZFWWWQNUSA-N 1 3 324.469 0.609 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000659726182 418164408 /nfs/dbraw/zinc/16/44/08/418164408.db2.gz HWLFVQFFUPTXAT-DLOXAQCQSA-N 1 3 320.437 0.069 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000659726022 418164807 /nfs/dbraw/zinc/16/48/07/418164807.db2.gz HHQVORRBVCEPES-KFWWJZLASA-N 1 3 324.469 0.609 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000659725993 418165084 /nfs/dbraw/zinc/16/50/84/418165084.db2.gz GKOXWBKHPTYMPF-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735605 418169508 /nfs/dbraw/zinc/16/95/08/418169508.db2.gz UHBYGXCMGHIGLO-GFCCVEGCSA-N 1 3 310.442 0.363 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737154 418170572 /nfs/dbraw/zinc/17/05/72/418170572.db2.gz RTSMOWOBGPGRMT-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000659740702 418171708 /nfs/dbraw/zinc/17/17/08/418171708.db2.gz FJIRQZDDSBGFNR-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659740606 418171885 /nfs/dbraw/zinc/17/18/85/418171885.db2.gz IVTMOXPPFDFTTI-PBHICJAKSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@@H+]1C ZINC000648912733 418174460 /nfs/dbraw/zinc/17/44/60/418174460.db2.gz NQHNJVPXJVRDOC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)CC[N@H+]1C ZINC000648912733 418174464 /nfs/dbraw/zinc/17/44/64/418174464.db2.gz NQHNJVPXJVRDOC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294447 418248732 /nfs/dbraw/zinc/24/87/32/418248732.db2.gz ZLHKSYNBDLQNTJ-JKSUJKDBSA-N 1 3 307.438 0.528 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665362497 418201016 /nfs/dbraw/zinc/20/10/16/418201016.db2.gz FPBXTWPMJPQBJB-WFASDCNBSA-N 1 3 300.447 0.471 20 0 DCADHO O=C(CN1CCNC[C@@H]1C(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000649417604 418253604 /nfs/dbraw/zinc/25/36/04/418253604.db2.gz UQVJSHQMQBDOFD-CYBMUJFWSA-N 1 3 316.396 0.268 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCCN(C)CC1 ZINC000665636576 418229384 /nfs/dbraw/zinc/22/93/84/418229384.db2.gz CKYWSWOABDBHPO-HNNXBMFYSA-N 1 3 313.490 0.606 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000660704387 418283530 /nfs/dbraw/zinc/28/35/30/418283530.db2.gz NOYHWNWPOPPTPL-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000660704387 418283533 /nfs/dbraw/zinc/28/35/33/418283533.db2.gz NOYHWNWPOPPTPL-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO CN1CCC(O)(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655716623 418289315 /nfs/dbraw/zinc/28/93/15/418289315.db2.gz ZSNLBAZWHUQWFP-MRXNPFEDSA-N 1 3 311.470 0.676 20 0 DCADHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660859638 418299264 /nfs/dbraw/zinc/29/92/64/418299264.db2.gz OVUBHAOTNYVQGT-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655969697 418309206 /nfs/dbraw/zinc/30/92/06/418309206.db2.gz WXLMSSHULFGQOM-LSDHHAIUSA-N 1 3 304.394 0.106 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655969566 418309691 /nfs/dbraw/zinc/30/96/91/418309691.db2.gz KXWABBXSKJVURM-RRFJBIMHSA-N 1 3 310.442 0.681 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028526 418321291 /nfs/dbraw/zinc/32/12/91/418321291.db2.gz MABLXDGBKRNNGV-UONOGXRCSA-N 1 3 308.426 0.069 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655450004 418263594 /nfs/dbraw/zinc/26/35/94/418263594.db2.gz ZBKUVWRUYUFMIK-SOLBZPMBSA-N 1 3 322.497 0.766 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)C[C@H]2N)cn1 ZINC000655481714 418266631 /nfs/dbraw/zinc/26/66/31/418266631.db2.gz NVNIFOYFHADEAH-AYDFFVQHSA-N 1 3 303.410 0.063 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660584305 418271380 /nfs/dbraw/zinc/27/13/80/418271380.db2.gz JXZMRUIZMCZVCB-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660584305 418271383 /nfs/dbraw/zinc/27/13/83/418271383.db2.gz JXZMRUIZMCZVCB-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660583636 418272300 /nfs/dbraw/zinc/27/23/00/418272300.db2.gz CVQONXOOOHUCOT-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000660583636 418272302 /nfs/dbraw/zinc/27/23/02/418272302.db2.gz CVQONXOOOHUCOT-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn2c1CCC2 ZINC000656857328 418379511 /nfs/dbraw/zinc/37/95/11/418379511.db2.gz UFRMFMCTAMXFHF-ZDUSSCGKSA-N 1 3 307.442 0.831 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn2c1CCC2 ZINC000656857328 418379512 /nfs/dbraw/zinc/37/95/12/418379512.db2.gz UFRMFMCTAMXFHF-ZDUSSCGKSA-N 1 3 307.442 0.831 20 0 DCADHO CCOc1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)nn1 ZINC000662230973 418391549 /nfs/dbraw/zinc/39/15/49/418391549.db2.gz KMUGDFUJECLBEU-UHFFFAOYSA-N 1 3 305.426 0.997 20 0 DCADHO CC[C@@H]([NH2+]C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000662428209 418409277 /nfs/dbraw/zinc/40/92/77/418409277.db2.gz NUCQXCPVNQKRKO-MRXNPFEDSA-N 1 3 319.453 0.708 20 0 DCADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC[C@H]1CCCO1 ZINC000662295652 418399486 /nfs/dbraw/zinc/39/94/86/418399486.db2.gz WETGTMYZYCDVGE-HZPDHXFCSA-N 1 3 309.454 0.993 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296492 418399614 /nfs/dbraw/zinc/39/96/14/418399614.db2.gz QQKFCXCDJVXTGB-ULQDDVLXSA-N 1 3 315.421 0.531 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000662296492 418399616 /nfs/dbraw/zinc/39/96/16/418399616.db2.gz QQKFCXCDJVXTGB-ULQDDVLXSA-N 1 3 315.421 0.531 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](Cn2ccnn2)C1 ZINC000662296492 418399618 /nfs/dbraw/zinc/39/96/18/418399618.db2.gz QQKFCXCDJVXTGB-ULQDDVLXSA-N 1 3 315.421 0.531 20 0 DCADHO CC[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000236917936 261156528 /nfs/dbraw/zinc/15/65/28/261156528.db2.gz RZLXYBYWSBHJKT-INIZCTEOSA-N 1 3 304.438 0.788 20 0 DCADHO Cn1cc(N2CCC[C@@H](N3CCC4(C3)CC[NH2+]CC4)C2=O)cn1 ZINC000358507655 261675673 /nfs/dbraw/zinc/67/56/73/261675673.db2.gz KZIHBBYBEUCZAC-OAHLLOKOSA-N 1 3 317.437 0.991 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362564786 262046967 /nfs/dbraw/zinc/04/69/67/262046967.db2.gz OBZRMQAEKFOSEE-CHWSQXEVSA-N 1 3 321.425 0.327 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)o1 ZINC000362693287 262061246 /nfs/dbraw/zinc/06/12/46/262061246.db2.gz NAOIQHCMOHVFJZ-AWEZNQCLSA-N 1 3 323.441 0.795 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)o1 ZINC000362693287 262061247 /nfs/dbraw/zinc/06/12/47/262061247.db2.gz NAOIQHCMOHVFJZ-AWEZNQCLSA-N 1 3 323.441 0.795 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000363108288 262099094 /nfs/dbraw/zinc/09/90/94/262099094.db2.gz CNILGUOLVJAEFK-OAHLLOKOSA-N 1 3 324.469 0.977 20 0 DCADHO CC1CC[NH+](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363389543 262113119 /nfs/dbraw/zinc/11/31/19/262113119.db2.gz LJGYPHNFIYXRSN-CVEARBPZSA-N 1 3 324.469 0.881 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000417441535 262252225 /nfs/dbraw/zinc/25/22/25/262252225.db2.gz QJQOJECJQACQMY-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417752453 262260689 /nfs/dbraw/zinc/26/06/89/262260689.db2.gz MTLCCGNYPDDVNC-KGLIPLIRSA-N 1 3 300.447 0.771 20 0 DCADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CNCCO1)C(C)C ZINC000417805053 262262026 /nfs/dbraw/zinc/26/20/26/262262026.db2.gz YDRZBCPSHIJKNI-CQSZACIVSA-N 1 3 300.447 0.783 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCSC1 ZINC000417838155 262263643 /nfs/dbraw/zinc/26/36/43/262263643.db2.gz VWSDMESJJRFFKR-YDHLFZDLSA-N 1 3 312.483 0.817 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000417839629 262263731 /nfs/dbraw/zinc/26/37/31/262263731.db2.gz RMIXACAQCXJOEL-DOTOQJQBSA-N 1 3 305.422 0.991 20 0 DCADHO COCC1(CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC[NH2+]CC1 ZINC000418005640 262267790 /nfs/dbraw/zinc/26/77/90/262267790.db2.gz PFQFPQLCHZTIAC-ZIAGYGMSSA-N 1 3 312.458 0.785 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418015844 262267968 /nfs/dbraw/zinc/26/79/68/262267968.db2.gz FBOVFUDKDKLHOE-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCCN1C ZINC000418005690 262267875 /nfs/dbraw/zinc/26/78/75/262267875.db2.gz PLTDFUYCCSUXGF-RBSFLKMASA-N 1 3 324.469 0.866 20 0 DCADHO CN(C)CCOCCNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418064812 262268943 /nfs/dbraw/zinc/26/89/43/262268943.db2.gz IWEVULCHMFGUTM-CYBMUJFWSA-N 1 3 300.447 0.642 20 0 DCADHO CN1CCC(C[NH2+][C@H]2COC(C)(C)C2)(N2CCOCC2)CC1 ZINC000418096852 262269518 /nfs/dbraw/zinc/26/95/18/262269518.db2.gz XOYHPJFZJGLPLT-OAHLLOKOSA-N 1 3 311.470 0.940 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)N1CCN(CC2CCOCC2)CC1 ZINC000418288632 262273861 /nfs/dbraw/zinc/27/38/61/262273861.db2.gz MXQSGJUNCMPZTP-UHFFFAOYSA-N 1 3 324.469 0.882 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418323376 262274993 /nfs/dbraw/zinc/27/49/93/262274993.db2.gz UTCAWBTURPRJDK-CABCVRRESA-N 1 3 312.458 0.378 20 0 DCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCNc1ccncc1 ZINC000418652362 262285524 /nfs/dbraw/zinc/28/55/24/262285524.db2.gz ZGUHJNKQGVEVHS-AWEZNQCLSA-N 1 3 305.426 0.993 20 0 DCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCNc1ccncc1 ZINC000418652363 262285551 /nfs/dbraw/zinc/28/55/51/262285551.db2.gz ZGUHJNKQGVEVHS-CQSZACIVSA-N 1 3 305.426 0.993 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418846612 262292599 /nfs/dbraw/zinc/29/25/99/262292599.db2.gz YQCFFVDYXURUSR-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000418847034 262292699 /nfs/dbraw/zinc/29/26/99/262292699.db2.gz ZRXNPGGUEPFKQM-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418969267 262300465 /nfs/dbraw/zinc/30/04/65/262300465.db2.gz VIFXMBQECUJVEB-DZGCQCFKSA-N 1 3 318.421 0.183 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000419008208 262303730 /nfs/dbraw/zinc/30/37/30/262303730.db2.gz VFIPNOZROYUMSI-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N[C@H](C)CN)cc1 ZINC000419013111 262304421 /nfs/dbraw/zinc/30/44/21/262304421.db2.gz YNBMMURGSODFLI-CYBMUJFWSA-N 1 3 320.437 0.608 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419017674 262305630 /nfs/dbraw/zinc/30/56/30/262305630.db2.gz BFXHTSIQVTZEPS-AAVRWANBSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419072182 262306147 /nfs/dbraw/zinc/30/61/47/262306147.db2.gz AZZLUMQRMHNEJL-KBPBESRZSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419080673 262307271 /nfs/dbraw/zinc/30/72/71/262307271.db2.gz PXTIGNSXPQXXFB-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419080062 262307395 /nfs/dbraw/zinc/30/73/95/262307395.db2.gz OIVCLGXZLGRDJD-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419080710 262307410 /nfs/dbraw/zinc/30/74/10/262307410.db2.gz QCDXWTYABAKHBC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419084611 262307849 /nfs/dbraw/zinc/30/78/49/262307849.db2.gz YVSCVFWCSJYYFH-RHSMWYFYSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419120931 262310183 /nfs/dbraw/zinc/31/01/83/262310183.db2.gz LPRIRBWJUOAWNH-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419122066 262310231 /nfs/dbraw/zinc/31/02/31/262310231.db2.gz MUDKTVRFBUXPPD-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419125249 262310753 /nfs/dbraw/zinc/31/07/53/262310753.db2.gz STHIRJXWSPVYHX-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419125736 262310954 /nfs/dbraw/zinc/31/09/54/262310954.db2.gz UQZUTHCZTQPUCN-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419165886 262315980 /nfs/dbraw/zinc/31/59/80/262315980.db2.gz GULCJFMHNCWNRU-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419165864 262316098 /nfs/dbraw/zinc/31/60/98/262316098.db2.gz GRCFSPKOEKZUHI-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCCNCC1 ZINC000419222296 262320330 /nfs/dbraw/zinc/32/03/30/262320330.db2.gz BLUJIHZAGOJYFM-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCCNCC1 ZINC000419222296 262320332 /nfs/dbraw/zinc/32/03/32/262320332.db2.gz BLUJIHZAGOJYFM-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232296 262320798 /nfs/dbraw/zinc/32/07/98/262320798.db2.gz UIKUGEHIHFKSNA-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232297 262321533 /nfs/dbraw/zinc/32/15/33/262321533.db2.gz UIKUGEHIHFKSNA-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419280328 262324073 /nfs/dbraw/zinc/32/40/73/262324073.db2.gz FKULUPQNVLRHGQ-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419285096 262324584 /nfs/dbraw/zinc/32/45/84/262324584.db2.gz MHUVBPJNHMGKEL-UHFFFAOYSA-N 1 3 310.442 0.261 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000419408485 262331290 /nfs/dbraw/zinc/33/12/90/262331290.db2.gz LTDPITLXSBENHM-UHFFFAOYSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419425827 262333133 /nfs/dbraw/zinc/33/31/33/262333133.db2.gz PTLJFXMDFPPJBV-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419595406 262339450 /nfs/dbraw/zinc/33/94/50/262339450.db2.gz WQFZFRZXHZQPHW-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419595111 262339787 /nfs/dbraw/zinc/33/97/87/262339787.db2.gz VYZFXPYGHBPARF-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])C1=CCN(C)CC1 ZINC000419619842 262342654 /nfs/dbraw/zinc/34/26/54/262342654.db2.gz BVACSIKZLGBCKE-YDHLFZDLSA-N 1 3 322.453 0.339 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419642542 262343831 /nfs/dbraw/zinc/34/38/31/262343831.db2.gz MEIKDQHNAFLPQS-HNNXBMFYSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC[C@H]1[NH3+] ZINC000419691552 262345917 /nfs/dbraw/zinc/34/59/17/262345917.db2.gz DYQNFTLWHJLFBN-VNHYZAJKSA-N 1 3 322.453 0.315 20 0 DCADHO C[NH2+][C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419694967 262346124 /nfs/dbraw/zinc/34/61/24/262346124.db2.gz KBWIVABSPPKXIB-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419978084 262354971 /nfs/dbraw/zinc/35/49/71/262354971.db2.gz NQRBXMMKCSZQJN-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420075742 262359813 /nfs/dbraw/zinc/35/98/13/262359813.db2.gz KOBJKAVRCLQHON-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159032 262364488 /nfs/dbraw/zinc/36/44/88/262364488.db2.gz HOOKBBWBOKFIJB-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H](O)CN ZINC000420351078 262370534 /nfs/dbraw/zinc/37/05/34/262370534.db2.gz IYNARDVDPNOQBV-ZBFHGGJFSA-N 1 3 305.422 0.822 20 0 DCADHO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H](O)CN ZINC000420351078 262370535 /nfs/dbraw/zinc/37/05/35/262370535.db2.gz IYNARDVDPNOQBV-ZBFHGGJFSA-N 1 3 305.422 0.822 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000500181747 287642843 /nfs/dbraw/zinc/64/28/43/287642843.db2.gz JXRWBVBYJBIFSW-AEGPPILISA-N 1 3 312.458 0.614 20 0 DCADHO COc1cc(CNCCN2CC[NH2+]CC2)cc(OC)c1OC ZINC000106957782 270946234 /nfs/dbraw/zinc/94/62/34/270946234.db2.gz HIPMEIWVNNESJA-UHFFFAOYSA-N 1 3 309.410 0.707 20 0 DCADHO O=c1n2ccccc2nn1CCN1CCC2(C1)CC[NH2+]CC2 ZINC000358522232 271055038 /nfs/dbraw/zinc/05/50/38/271055038.db2.gz ZSCYUPSTXVRXEJ-UHFFFAOYSA-N 1 3 301.394 0.572 20 0 DCADHO NC[C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000358742971 271066407 /nfs/dbraw/zinc/06/64/07/271066407.db2.gz LIEGAUZFBCRPQH-OAHLLOKOSA-N 1 3 308.401 0.280 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CCN2CCCOCC2)CC1 ZINC000361289497 271179200 /nfs/dbraw/zinc/17/92/00/271179200.db2.gz PLQQTGSHSIYVEK-SFHVURJKSA-N 1 3 324.513 0.811 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(CCN2CCCOCC2)CC1 ZINC000361289497 271179204 /nfs/dbraw/zinc/17/92/04/271179204.db2.gz PLQQTGSHSIYVEK-SFHVURJKSA-N 1 3 324.513 0.811 20 0 DCADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000363458709 271192216 /nfs/dbraw/zinc/19/22/16/271192216.db2.gz AFBBFOUMVHKXHT-CJNGLKHVSA-N 1 3 308.426 0.781 20 0 DCADHO CN(CCN1CCN(C(=O)NCC[NH3+])CC1)Cc1ccccc1 ZINC000418295039 271241206 /nfs/dbraw/zinc/24/12/06/271241206.db2.gz ICOGTXNKANNRRZ-UHFFFAOYSA-N 1 3 319.453 0.404 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000418461411 271246358 /nfs/dbraw/zinc/24/63/58/271246358.db2.gz JCFYRHCMVZJHMX-HUUCEWRRSA-N 1 3 313.490 0.829 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000418461410 271246381 /nfs/dbraw/zinc/24/63/81/271246381.db2.gz JCFYRHCMVZJHMX-GJZGRUSLSA-N 1 3 313.490 0.829 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418470742 271247172 /nfs/dbraw/zinc/24/71/72/271247172.db2.gz LPBLJAVSKAQUTJ-UONOGXRCSA-N 1 3 311.474 0.391 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)N1CCCCC1 ZINC000418843611 271258455 /nfs/dbraw/zinc/25/84/55/271258455.db2.gz SADSXDYXKYCISZ-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419030225 271268152 /nfs/dbraw/zinc/26/81/52/271268152.db2.gz SSFNQDFVBOZVHF-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419043692 271269566 /nfs/dbraw/zinc/26/95/66/271269566.db2.gz KCORLHOAJVIQAZ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CCC(C)CC1 ZINC000419141137 271276359 /nfs/dbraw/zinc/27/63/59/271276359.db2.gz ARTWQAKFNHHDKQ-PBHICJAKSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[NH+](CCCNC(=O)C(=O)N(C)[C@@H](C)CN)C(C)C ZINC000419670546 271321007 /nfs/dbraw/zinc/32/10/07/271321007.db2.gz WXRLBGGRSAFQPI-ZDUSSCGKSA-N 1 3 300.447 0.417 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CN)CCCCC1 ZINC000419833944 271332607 /nfs/dbraw/zinc/33/26/07/271332607.db2.gz ZSIVPCSTTFQZBK-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NCC[NH3+] ZINC000419832920 271332657 /nfs/dbraw/zinc/33/26/57/271332657.db2.gz KTKMFOHKODTNDZ-UHFFFAOYSA-N 1 3 320.437 0.084 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420117307 271358038 /nfs/dbraw/zinc/35/80/38/271358038.db2.gz HIMRJBUMVCSBRX-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420172754 271362916 /nfs/dbraw/zinc/36/29/16/271362916.db2.gz QBGAGYPLLMNVJD-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420172295 271363601 /nfs/dbraw/zinc/36/36/01/271363601.db2.gz VMXRNKIMYLAPDR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCS(=O)(=O)N1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422858481 271389081 /nfs/dbraw/zinc/38/90/81/271389081.db2.gz ITZIYLJWMJBANO-OCCSQVGLSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000487194574 272040054 /nfs/dbraw/zinc/04/00/54/272040054.db2.gz CGCPXQOKYGOYLJ-GJZGRUSLSA-N 1 3 310.486 0.716 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000487194574 272040055 /nfs/dbraw/zinc/04/00/55/272040055.db2.gz CGCPXQOKYGOYLJ-GJZGRUSLSA-N 1 3 310.486 0.716 20 0 DCADHO CN(C)C/C=C\C(=O)N(C)CCN(C)C(=O)/C=C\C[NH+](C)C ZINC000492296560 272121441 /nfs/dbraw/zinc/12/14/41/272121441.db2.gz GNZMVQCRKNRURH-XOHWUJONSA-N 1 3 310.442 0.139 20 0 DCADHO NC(C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C(F)(F)F ZINC000521872708 272540125 /nfs/dbraw/zinc/54/01/25/272540125.db2.gz ARTKHKQHYJLKAZ-GMTAPVOTSA-N 1 3 309.332 0.621 20 0 DCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000364852166 287651214 /nfs/dbraw/zinc/65/12/14/287651214.db2.gz SNEIXVYILBQQPC-ARFHVFGLSA-N 1 3 310.486 0.987 20 0 DCADHO CN(C)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000515299126 287651410 /nfs/dbraw/zinc/65/14/10/287651410.db2.gz MZUFYXIBIZJHLD-HNNXBMFYSA-N 1 3 316.409 0.660 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410474806 276074044 /nfs/dbraw/zinc/07/40/44/276074044.db2.gz YGDGUXIPPACMJX-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410474806 276074045 /nfs/dbraw/zinc/07/40/45/276074045.db2.gz YGDGUXIPPACMJX-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CCNC(=O)NC[C@@]1(O)CCN(C)C1)[NH+]1CCCCC1 ZINC000546590711 288019874 /nfs/dbraw/zinc/01/98/74/288019874.db2.gz VWAPZNZZTSBNBR-HOCLYGCPSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000346237155 279304639 /nfs/dbraw/zinc/30/46/39/279304639.db2.gz YYNNSCMJFNRXBI-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000346237155 279304640 /nfs/dbraw/zinc/30/46/40/279304640.db2.gz YYNNSCMJFNRXBI-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262252142 279308368 /nfs/dbraw/zinc/30/83/68/279308368.db2.gz LQYCDCDUQBQONH-CQSZACIVSA-N 1 3 305.426 0.562 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494674808 279360015 /nfs/dbraw/zinc/36/00/15/279360015.db2.gz RCGOYKIRWWUWGH-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)N1CCN(C)CC1 ZINC000121682978 280249542 /nfs/dbraw/zinc/24/95/42/280249542.db2.gz RAFSVYOUYRXNTO-JKSUJKDBSA-N 1 3 312.502 0.961 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000263228074 280274495 /nfs/dbraw/zinc/27/44/95/280274495.db2.gz HEBZPRLWJTTYNV-GUTXKFCHSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000263228074 280274497 /nfs/dbraw/zinc/27/44/97/280274497.db2.gz HEBZPRLWJTTYNV-GUTXKFCHSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000418867372 280277501 /nfs/dbraw/zinc/27/75/01/280277501.db2.gz OZHZXYIDUJVZQX-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(CCC2CC[NH+]([C@H]3COC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000550680148 288217880 /nfs/dbraw/zinc/21/78/80/288217880.db2.gz CCIOJYZWQZXPPR-TXCZRRACSA-N 1 3 312.454 0.957 20 0 DCADHO C[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000343987097 288252075 /nfs/dbraw/zinc/25/20/75/288252075.db2.gz RWAYFLKOHSLVEU-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000343987097 288252077 /nfs/dbraw/zinc/25/20/77/288252077.db2.gz RWAYFLKOHSLVEU-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO C[N@H+](C[C@H](O)CN[C@@H]1CCCC[C@H]1N1CCOCC1)C1CC1 ZINC000554939669 288341529 /nfs/dbraw/zinc/34/15/29/288341529.db2.gz IZPKYYQGZXQVMI-BRWVUGGUSA-N 1 3 311.470 0.675 20 0 DCADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCCC[C@H]1N1CCOCC1)C1CC1 ZINC000554939669 288341530 /nfs/dbraw/zinc/34/15/30/288341530.db2.gz IZPKYYQGZXQVMI-BRWVUGGUSA-N 1 3 311.470 0.675 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000562816871 288600654 /nfs/dbraw/zinc/60/06/54/288600654.db2.gz ZOFJKSYTLDKVLE-IJEWVQPXSA-N 1 3 300.406 0.734 20 0 DCADHO COCCN(CCN(C)C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000563375158 288664671 /nfs/dbraw/zinc/66/46/71/288664671.db2.gz CMROMVLFEXCKLP-UHFFFAOYSA-N 1 3 311.430 0.095 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000563946142 288716924 /nfs/dbraw/zinc/71/69/24/288716924.db2.gz FXCQVADGJYUWRJ-HNNXBMFYSA-N 1 3 313.490 0.511 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC(C)(C)C[NH+]2CCCC2)CC1=O ZINC000457040308 289159182 /nfs/dbraw/zinc/15/91/82/289159182.db2.gz FDMXOCSWBGSEBD-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410472252 289290028 /nfs/dbraw/zinc/29/00/28/289290028.db2.gz RJVQBIYXRKSIHF-RHSMWYFYSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410472252 289290030 /nfs/dbraw/zinc/29/00/30/289290030.db2.gz RJVQBIYXRKSIHF-RHSMWYFYSA-N 1 3 322.453 0.093 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)C2)CC1 ZINC000420065749 289889278 /nfs/dbraw/zinc/88/92/78/289889278.db2.gz QCCAFAWNBCUPMD-HUUCEWRRSA-N 1 3 322.453 0.030 20 0 DCADHO NC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000420068756 295242388 /nfs/dbraw/zinc/24/23/88/295242388.db2.gz VCUHQJUJNIOHNX-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422696189 295296680 /nfs/dbraw/zinc/29/66/80/295296680.db2.gz QYHDVPOBBPJDAF-CVEARBPZSA-N 1 3 318.469 0.848 20 0 DCADHO Cn1nccc1[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CCC(=O)N1C ZINC000345002533 303083942 /nfs/dbraw/zinc/08/39/42/303083942.db2.gz VKRMDAVIXVWPRM-BBRMVZONSA-N 1 3 305.426 0.766 20 0 DCADHO Cn1nccc1[C@@H]1[C@H](NC2CC[NH+](C)CC2)CCC(=O)N1C ZINC000345002536 303085818 /nfs/dbraw/zinc/08/58/18/303085818.db2.gz VKRMDAVIXVWPRM-CJNGLKHVSA-N 1 3 305.426 0.766 20 0 DCADHO CCOC[C@@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000570509348 332766108 /nfs/dbraw/zinc/76/61/08/332766108.db2.gz ZNYRTBLFXPAKDK-KRWDZBQOSA-N 1 3 322.453 0.581 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001216225640 1159122292 /nfs/dbraw/zinc/12/22/92/1159122292.db2.gz IIELTSRJBOMDMI-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001216225640 1159122294 /nfs/dbraw/zinc/12/22/94/1159122294.db2.gz IIELTSRJBOMDMI-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCN1C1CCOCC1 ZINC000584290830 332220023 /nfs/dbraw/zinc/22/00/23/332220023.db2.gz JEXJEOQLXJKZGS-HUUCEWRRSA-N 1 3 311.426 0.125 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@@H]2c2ccncc2)C1 ZINC000584350927 336060807 /nfs/dbraw/zinc/06/08/07/336060807.db2.gz IUMQTAVZNZLERW-GOEBONIOSA-N 1 3 317.437 0.225 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000582775837 337148011 /nfs/dbraw/zinc/14/80/11/337148011.db2.gz OMALDWHSPKKKLO-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO O=C(C[C@H]1CNCCO1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000582785014 337161218 /nfs/dbraw/zinc/16/12/18/337161218.db2.gz OOSUPWLGYYIGNI-NSHDSACASA-N 1 3 310.423 0.927 20 0 DCADHO CO[C@H](CN)C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000576042010 341822186 /nfs/dbraw/zinc/82/21/86/341822186.db2.gz YSNQYJVVZCWNLS-LSDHHAIUSA-N 1 3 306.410 0.526 20 0 DCADHO CCN1CCN(Cc2ccccc2CNC(=O)C[NH2+]C)CC1 ZINC000236886474 521689098 /nfs/dbraw/zinc/68/90/98/521689098.db2.gz RWTIUWGUGQJOPZ-UHFFFAOYSA-N 1 3 304.438 0.660 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)CN1CCN(C)CC1 ZINC000364224064 524658353 /nfs/dbraw/zinc/65/83/53/524658353.db2.gz YOUNYMHPTVFYDU-HOTGVXAUSA-N 1 3 310.486 0.766 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001664018069 1174384549 /nfs/dbraw/zinc/38/45/49/1174384549.db2.gz AHLGFYXFKBANJQ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCc1cnc[nH]1 ZINC000280524630 545997513 /nfs/dbraw/zinc/99/75/13/545997513.db2.gz MXLLESCEBBSHDC-UHFFFAOYSA-N 1 3 307.442 0.827 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCc1cnc[nH]1 ZINC000280524630 545997518 /nfs/dbraw/zinc/99/75/18/545997518.db2.gz MXLLESCEBBSHDC-UHFFFAOYSA-N 1 3 307.442 0.827 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCc1c[nH]cn1 ZINC000280524630 545997522 /nfs/dbraw/zinc/99/75/22/545997522.db2.gz MXLLESCEBBSHDC-UHFFFAOYSA-N 1 3 307.442 0.827 20 0 DCADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000312264076 546023546 /nfs/dbraw/zinc/02/35/46/546023546.db2.gz MMPYTEUYIQMXEA-CYBMUJFWSA-N 1 3 303.472 0.730 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000320959265 546033356 /nfs/dbraw/zinc/03/33/56/546033356.db2.gz FDUUAOFDDKYVOL-UHFFFAOYSA-N 1 3 318.381 0.430 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000343003618 546128397 /nfs/dbraw/zinc/12/83/97/546128397.db2.gz CQRPGRAGKVZXGE-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH2+]CCN(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416974245 546243779 /nfs/dbraw/zinc/24/37/79/546243779.db2.gz LATDOMRDCPCQHT-UHFFFAOYSA-N 1 3 308.426 0.988 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000665759630 546394840 /nfs/dbraw/zinc/39/48/40/546394840.db2.gz LOGXXHXGLGTMTQ-SOUVJXGZSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000665759630 546394843 /nfs/dbraw/zinc/39/48/43/546394843.db2.gz LOGXXHXGLGTMTQ-SOUVJXGZSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000666756384 546504225 /nfs/dbraw/zinc/50/42/25/546504225.db2.gz JOXUJMDNQFNTRV-GDBMZVCRSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000666756389 546504723 /nfs/dbraw/zinc/50/47/23/546504723.db2.gz JOXUJMDNQFNTRV-HOCLYGCPSA-N 1 3 314.474 0.719 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666971623 546535360 /nfs/dbraw/zinc/53/53/60/546535360.db2.gz BKUXYFXGCIDFCP-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CN1CCCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666969242 546535962 /nfs/dbraw/zinc/53/59/62/546535962.db2.gz KCRMGTRQRAQIOA-HNNXBMFYSA-N 1 3 310.442 0.587 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCOC1(C)C ZINC000667223540 546573028 /nfs/dbraw/zinc/57/30/28/546573028.db2.gz OFQDXIUCMREWKD-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cnnn1C ZINC000667812186 546656453 /nfs/dbraw/zinc/65/64/53/546656453.db2.gz GHRHXIUIBULTQQ-CQSZACIVSA-N 1 3 322.457 0.232 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cnnn1C ZINC000667812186 546656455 /nfs/dbraw/zinc/65/64/55/546656455.db2.gz GHRHXIUIBULTQQ-CQSZACIVSA-N 1 3 322.457 0.232 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC)CC2)C1 ZINC000668374311 546745656 /nfs/dbraw/zinc/74/56/56/546745656.db2.gz YMWOKTHJNQRHKR-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000668546166 546781318 /nfs/dbraw/zinc/78/13/18/546781318.db2.gz VBWBZLWJOMRRTJ-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000668546166 546781320 /nfs/dbraw/zinc/78/13/20/546781320.db2.gz VBWBZLWJOMRRTJ-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@H+](CC)C2CC2)C1 ZINC000668777662 546844679 /nfs/dbraw/zinc/84/46/79/546844679.db2.gz UAEPCYRSCPEQGI-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](CC)C2CC2)C1 ZINC000668777662 546844682 /nfs/dbraw/zinc/84/46/82/546844682.db2.gz UAEPCYRSCPEQGI-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)NC/C=C\C[NH3+])cc1 ZINC000669132499 546926650 /nfs/dbraw/zinc/92/66/50/546926650.db2.gz PLJHZYYPIKLURY-ARJAWSKDSA-N 1 3 306.410 0.941 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000669310735 546954174 /nfs/dbraw/zinc/95/41/74/546954174.db2.gz GFKRFARLUCLMPK-HUUCEWRRSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)CN1CCN(C)CC1 ZINC000669499772 546980200 /nfs/dbraw/zinc/98/02/00/546980200.db2.gz NVCVARNQNXSKLV-CABCVRRESA-N 1 3 311.474 0.311 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000669529079 546985367 /nfs/dbraw/zinc/98/53/67/546985367.db2.gz DESUTVYDEVBTOR-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000670546050 547116229 /nfs/dbraw/zinc/11/62/29/547116229.db2.gz CKLDYWUMJRQTCX-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000671820626 547299012 /nfs/dbraw/zinc/29/90/12/547299012.db2.gz SISWVPHQXQFMMV-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672594261 547385283 /nfs/dbraw/zinc/38/52/83/547385283.db2.gz SODFMKGOXBXWMD-COMQUAJESA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000672594261 547385287 /nfs/dbraw/zinc/38/52/87/547385287.db2.gz SODFMKGOXBXWMD-COMQUAJESA-N 1 3 322.453 0.184 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000674699677 547617889 /nfs/dbraw/zinc/61/78/89/547617889.db2.gz RGKOEKLTEMRQGU-RDBSUJKOSA-N 1 3 310.442 0.632 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000674699677 547617891 /nfs/dbraw/zinc/61/78/91/547617891.db2.gz RGKOEKLTEMRQGU-RDBSUJKOSA-N 1 3 310.442 0.632 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000675192129 547668593 /nfs/dbraw/zinc/66/85/93/547668593.db2.gz ULKFLFRIQCHLHK-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](CCN1CC[C@H](CC(N)=O)C1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676871237 547828613 /nfs/dbraw/zinc/82/86/13/547828613.db2.gz RDEKVUGCWLAYQP-MGPQQGTHSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CCN1CC[C@H](CC(N)=O)C1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000676871237 547828620 /nfs/dbraw/zinc/82/86/20/547828620.db2.gz RDEKVUGCWLAYQP-MGPQQGTHSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@@H+]1CC[C@H](CC(N)=O)C1)N1CC[C@H](CC(N)=O)C1 ZINC000676871237 547828626 /nfs/dbraw/zinc/82/86/26/547828626.db2.gz RDEKVUGCWLAYQP-MGPQQGTHSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@H+]1CC[C@H](CC(N)=O)C1)N1CC[C@H](CC(N)=O)C1 ZINC000676871237 547828629 /nfs/dbraw/zinc/82/86/29/547828629.db2.gz RDEKVUGCWLAYQP-MGPQQGTHSA-N 1 3 310.442 0.160 20 0 DCADHO CN(C)CCOC1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684197202 548580455 /nfs/dbraw/zinc/58/04/55/548580455.db2.gz HSYSBYHDINLSGH-CQSZACIVSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684201116 548582126 /nfs/dbraw/zinc/58/21/26/548582126.db2.gz VAUSBYQHZNNOSN-KGLIPLIRSA-N 1 3 307.442 0.702 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001673316241 1175189288 /nfs/dbraw/zinc/18/92/88/1175189288.db2.gz DDIPGNDHDNWZOK-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](CNS(=O)(=O)C[C@@]12CCN(C1)CCC2)C[NH+](C)C ZINC000915823222 664948974 /nfs/dbraw/zinc/94/89/74/664948974.db2.gz WKWUWVWQGRCTNC-KGLIPLIRSA-N 1 3 303.472 0.589 20 0 DCADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1)C1CCC1 ZINC001041356656 661204990 /nfs/dbraw/zinc/20/49/90/661204990.db2.gz ANSVFOBBDOBSRT-QGZVFWFLSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1)C1CCC1 ZINC001041356656 661204993 /nfs/dbraw/zinc/20/49/93/661204993.db2.gz ANSVFOBBDOBSRT-QGZVFWFLSA-N 1 3 309.454 0.778 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000998733303 665514777 /nfs/dbraw/zinc/51/47/77/665514777.db2.gz TYMUOLTYMZGSAW-JKSUJKDBSA-N 1 3 317.437 0.960 20 0 DCADHO C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CN(CCCO)C1 ZINC000970716169 657822262 /nfs/dbraw/zinc/82/22/62/657822262.db2.gz OOORBDVGELMJSX-AWEZNQCLSA-N 1 3 323.481 0.927 20 0 DCADHO CCN(C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000891885263 657878076 /nfs/dbraw/zinc/87/80/76/657878076.db2.gz QZDNCASSGVLDMR-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)CC[N@@H+]1C ZINC000969721518 658104157 /nfs/dbraw/zinc/10/41/57/658104157.db2.gz GQOZHOQLYHYHDY-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)CC[N@H+]1C ZINC000969721518 658104162 /nfs/dbraw/zinc/10/41/62/658104162.db2.gz GQOZHOQLYHYHDY-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020587414 658156892 /nfs/dbraw/zinc/15/68/92/658156892.db2.gz FJDJLQWQJQZIGD-HUBLWGQQSA-N 1 3 301.406 0.428 20 0 DCADHO C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001039301600 658210970 /nfs/dbraw/zinc/21/09/70/658210970.db2.gz MJAMBGXOCJKZSK-IKKMQULASA-N 1 3 306.410 0.835 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892155397 658231961 /nfs/dbraw/zinc/23/19/61/658231961.db2.gz FCDBHYGBZHSVEQ-UONOGXRCSA-N 1 3 324.375 0.997 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)C1 ZINC001022716040 658369952 /nfs/dbraw/zinc/36/99/52/658369952.db2.gz PYYHVRLKNYEUTD-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(CCCO)C1 ZINC000970026832 658375772 /nfs/dbraw/zinc/37/57/72/658375772.db2.gz JDGFCZMXEWCCPL-ZBFHGGJFSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(CCCO)C1 ZINC000970026832 658375780 /nfs/dbraw/zinc/37/57/80/658375780.db2.gz JDGFCZMXEWCCPL-ZBFHGGJFSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)CCn2cncn2)C1)[NH+](C)C ZINC000972262292 658494873 /nfs/dbraw/zinc/49/48/73/658494873.db2.gz ATRZFOZRJSNMBU-LSDHHAIUSA-N 1 3 322.457 0.397 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H](NCCF)C2)n1 ZINC000999182310 665592521 /nfs/dbraw/zinc/59/25/21/665592521.db2.gz OLQCQBGCHGNXCP-CYBMUJFWSA-N 1 3 311.405 0.608 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H](NCCF)C2)n1 ZINC000999182312 665592564 /nfs/dbraw/zinc/59/25/64/665592564.db2.gz OLQCQBGCHGNXCP-ZDUSSCGKSA-N 1 3 311.405 0.608 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047510 658725670 /nfs/dbraw/zinc/72/56/70/658725670.db2.gz FXLPPEYCNVQNEW-IHRRRGAJSA-N 1 3 320.441 0.295 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047510 658725673 /nfs/dbraw/zinc/72/56/73/658725673.db2.gz FXLPPEYCNVQNEW-IHRRRGAJSA-N 1 3 320.441 0.295 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021094635 658753012 /nfs/dbraw/zinc/75/30/12/658753012.db2.gz WGFIHAJWTQQZCU-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001021094085 658753472 /nfs/dbraw/zinc/75/34/72/658753472.db2.gz KXMHECYHUJCUEH-JYJNAYRXSA-N 1 3 319.453 0.994 20 0 DCADHO C[N@H+](CC[C@H]1CCOC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427106 658753508 /nfs/dbraw/zinc/75/35/08/658753508.db2.gz UFUJQSGTDAPYCX-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](CC[C@H]1CCOC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427106 658753512 /nfs/dbraw/zinc/75/35/12/658753512.db2.gz UFUJQSGTDAPYCX-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891440268 658769649 /nfs/dbraw/zinc/76/96/49/658769649.db2.gz VZURTXUSKLWYPJ-GDBMZVCRSA-N 1 3 310.442 0.681 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022105132 658866227 /nfs/dbraw/zinc/86/62/27/658866227.db2.gz QUGJBYNBIHTFQX-GUIRCDHDSA-N 1 3 320.441 0.375 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022105132 658866231 /nfs/dbraw/zinc/86/62/31/658866231.db2.gz QUGJBYNBIHTFQX-GUIRCDHDSA-N 1 3 320.441 0.375 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001022975974 658884847 /nfs/dbraw/zinc/88/48/47/658884847.db2.gz ZPQIKTIAZOIEJJ-CWRNSKLLSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001022975974 658884848 /nfs/dbraw/zinc/88/48/48/658884848.db2.gz ZPQIKTIAZOIEJJ-CWRNSKLLSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001023024844 658920201 /nfs/dbraw/zinc/92/02/01/658920201.db2.gz IWLHXFPCPLZXKX-BETUJISGSA-N 1 3 316.409 0.474 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC000999373765 665634931 /nfs/dbraw/zinc/63/49/31/665634931.db2.gz RCVGXGLPTAKTTN-HOTGVXAUSA-N 1 3 319.453 0.841 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC000999363820 665637089 /nfs/dbraw/zinc/63/70/89/665637089.db2.gz KHZLRVAGNDENMA-DZGCQCFKSA-N 1 3 322.453 0.330 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217863 659089751 /nfs/dbraw/zinc/08/97/51/659089751.db2.gz QTNOIIRFQXJSSY-AWEZNQCLSA-N 1 3 305.426 0.454 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217202 659089917 /nfs/dbraw/zinc/08/99/17/659089917.db2.gz HECWYULGOBUPNJ-CQSZACIVSA-N 1 3 305.426 0.454 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001025160108 659096084 /nfs/dbraw/zinc/09/60/84/659096084.db2.gz YWSZCPYJHRHWAE-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001025160108 659096088 /nfs/dbraw/zinc/09/60/88/659096088.db2.gz YWSZCPYJHRHWAE-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001025159735 659096478 /nfs/dbraw/zinc/09/64/78/659096478.db2.gz KLXOCLUZYKRMLD-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001025159735 659096485 /nfs/dbraw/zinc/09/64/85/659096485.db2.gz KLXOCLUZYKRMLD-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)C1 ZINC000973104815 659104706 /nfs/dbraw/zinc/10/47/06/659104706.db2.gz RAABXSWZSOFPMW-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)C1 ZINC000973104815 659104709 /nfs/dbraw/zinc/10/47/09/659104709.db2.gz RAABXSWZSOFPMW-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO c1ccc(N2CCN(CCCN[C@@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000925537990 659112538 /nfs/dbraw/zinc/11/25/38/659112538.db2.gz NQYCFTMVXSXFOQ-QGZVFWFLSA-N 1 3 318.465 0.777 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(CC2([NH+]3CCCC3)CCOCC2)C1=O ZINC000924590760 659251174 /nfs/dbraw/zinc/25/11/74/659251174.db2.gz CMUBQXOWWKNKRM-CYBMUJFWSA-N 1 3 324.425 0.113 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1 ZINC001026387381 659271223 /nfs/dbraw/zinc/27/12/23/659271223.db2.gz ZTKIERYGLWILPU-ZNMIVQPWSA-N 1 3 322.453 0.030 20 0 DCADHO O=C(N1CCC[C@H](N[C@@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000999599242 665663263 /nfs/dbraw/zinc/66/32/63/665663263.db2.gz XTAFDOSEGRJXNA-UONOGXRCSA-N 1 3 320.437 0.084 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892792642 659457122 /nfs/dbraw/zinc/45/71/22/659457122.db2.gz QCSFLXOULYSGFA-JKSUJKDBSA-N 1 3 318.421 0.067 20 0 DCADHO CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892818164 659470553 /nfs/dbraw/zinc/47/05/53/659470553.db2.gz JDDBHHAWUFWEJC-LSDHHAIUSA-N 1 3 312.458 0.927 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000892943797 659542097 /nfs/dbraw/zinc/54/20/97/659542097.db2.gz JTAOKYSGAKUHHL-KFWWJZLASA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000892943797 659542100 /nfs/dbraw/zinc/54/21/00/659542100.db2.gz JTAOKYSGAKUHHL-KFWWJZLASA-N 1 3 310.442 0.443 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798873 659565262 /nfs/dbraw/zinc/56/52/62/659565262.db2.gz MWMDLLUNIBXXNC-ZOFXXKQRSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798873 659565263 /nfs/dbraw/zinc/56/52/63/659565263.db2.gz MWMDLLUNIBXXNC-ZOFXXKQRSA-N 1 3 319.449 0.696 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1)C1CC1 ZINC001026886951 659627173 /nfs/dbraw/zinc/62/71/73/659627173.db2.gz IKGKMZWMOOHUQD-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1)C1CC1 ZINC001026888205 659627678 /nfs/dbraw/zinc/62/76/78/659627678.db2.gz AFYARWCMBSANKQ-SMDDNHRTSA-N 1 3 323.466 0.816 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001026916527 659641827 /nfs/dbraw/zinc/64/18/27/659641827.db2.gz JEMHITIOSLPANP-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999857963 665693699 /nfs/dbraw/zinc/69/36/99/665693699.db2.gz NBZKJPCOAAADDP-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999857963 665693700 /nfs/dbraw/zinc/69/37/00/665693700.db2.gz NBZKJPCOAAADDP-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1cc(CNC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001027035507 659725431 /nfs/dbraw/zinc/72/54/31/659725431.db2.gz DTMJZZJOLJXUKT-CYBMUJFWSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001026040800 659754780 /nfs/dbraw/zinc/75/47/80/659754780.db2.gz GOMPPSJSWNBVLI-JLOCXQCDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001026040800 659754786 /nfs/dbraw/zinc/75/47/86/659754786.db2.gz GOMPPSJSWNBVLI-JLOCXQCDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2nncn2C)C1 ZINC001027062763 659758546 /nfs/dbraw/zinc/75/85/46/659758546.db2.gz BGILHHXKNBMZTP-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2nncn2C)C1 ZINC001027062763 659758551 /nfs/dbraw/zinc/75/85/51/659758551.db2.gz BGILHHXKNBMZTP-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2nncn2C)C1 ZINC001027062760 659758761 /nfs/dbraw/zinc/75/87/61/659758761.db2.gz BGILHHXKNBMZTP-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2nncn2C)C1 ZINC001027062760 659758762 /nfs/dbraw/zinc/75/87/62/659758762.db2.gz BGILHHXKNBMZTP-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001027065281 659763270 /nfs/dbraw/zinc/76/32/70/659763270.db2.gz VINQFVFEHANOQV-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001027066586 659764687 /nfs/dbraw/zinc/76/46/87/659764687.db2.gz UPNNDTMLIJREMT-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001000193317 665771024 /nfs/dbraw/zinc/77/10/24/665771024.db2.gz OZFPQDYHMFLGGM-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237027984 661575605 /nfs/dbraw/zinc/57/56/05/661575605.db2.gz ONSLBUVDBCIFLG-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001028776016 661819304 /nfs/dbraw/zinc/81/93/04/661819304.db2.gz DRNIWBIPMAVRHW-CQSZACIVSA-N 1 3 319.453 0.700 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000925011615 661881271 /nfs/dbraw/zinc/88/12/71/661881271.db2.gz CIXGKBLRCJSAJN-ZIAGYGMSSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@H+]2C2CCCCC2)C1=O ZINC000925011615 661881272 /nfs/dbraw/zinc/88/12/72/661881272.db2.gz CIXGKBLRCJSAJN-ZIAGYGMSSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029149984 662022469 /nfs/dbraw/zinc/02/24/69/662022469.db2.gz GQKIQCDYAXYSRK-SMDDNHRTSA-N 1 3 319.409 0.057 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984806589 662316563 /nfs/dbraw/zinc/31/65/63/662316563.db2.gz YZJOKGBSHMBAPB-ZQDZILKHSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984806589 662316566 /nfs/dbraw/zinc/31/65/66/662316566.db2.gz YZJOKGBSHMBAPB-ZQDZILKHSA-N 1 3 319.453 0.602 20 0 DCADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC000985119004 662369939 /nfs/dbraw/zinc/36/99/39/662369939.db2.gz GKFQOYLXWTYLAR-AVGNSLFASA-N 1 3 322.409 0.619 20 0 DCADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC000985119004 662369940 /nfs/dbraw/zinc/36/99/40/662369940.db2.gz GKFQOYLXWTYLAR-AVGNSLFASA-N 1 3 322.409 0.619 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331485 662411083 /nfs/dbraw/zinc/41/10/83/662411083.db2.gz GHXQTJCGBAVASV-ZIAGYGMSSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331485 662411084 /nfs/dbraw/zinc/41/10/84/662411084.db2.gz GHXQTJCGBAVASV-ZIAGYGMSSA-N 1 3 310.442 0.267 20 0 DCADHO [NH3+]CC[C@H]1Cc2ccccc2N(S(=O)(=O)N2CCNCC2)C1 ZINC000923748889 662450817 /nfs/dbraw/zinc/45/08/17/662450817.db2.gz NWWUIHFNNHQZAE-ZDUSSCGKSA-N 1 3 324.450 0.164 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060694 662639821 /nfs/dbraw/zinc/63/98/21/662639821.db2.gz WAKOPBOWWUGBMR-OCCSQVGLSA-N 1 3 319.409 0.154 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)CC1 ZINC000987289487 662664712 /nfs/dbraw/zinc/66/47/12/662664712.db2.gz DOEPPVZIRTWICE-TZMCWYRMSA-N 1 3 310.442 0.171 20 0 DCADHO NC(=O)CN[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000662033 665906436 /nfs/dbraw/zinc/90/64/36/665906436.db2.gz XWJDXOKUVZJRQO-HNNXBMFYSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cncn2C)CN1C(=O)CN(C)C1CCC1 ZINC000988957324 662873426 /nfs/dbraw/zinc/87/34/26/662873426.db2.gz FLUPPDIVVGNGJK-KBPBESRZSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490839 662953402 /nfs/dbraw/zinc/95/34/02/662953402.db2.gz BEWWNBLVZJGFFR-IUODEOHRSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CCN1C ZINC000925326119 662987309 /nfs/dbraw/zinc/98/73/09/662987309.db2.gz UWZGXOQYWKGOCX-QLFBSQMISA-N 1 3 312.458 0.831 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@H]12 ZINC000990024736 662995048 /nfs/dbraw/zinc/99/50/48/662995048.db2.gz DRVIUUNRCAINGG-GRDNDAEWSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@H]12 ZINC000990024736 662995049 /nfs/dbraw/zinc/99/50/49/662995049.db2.gz DRVIUUNRCAINGG-GRDNDAEWSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000900713339 663274573 /nfs/dbraw/zinc/27/45/73/663274573.db2.gz GFMUYDNLISZVCQ-UHFFFAOYSA-N 1 3 323.441 0.285 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001000893865 665951839 /nfs/dbraw/zinc/95/18/39/665951839.db2.gz KBPCEWGHFCIHCE-MRXNPFEDSA-N 1 3 309.454 0.847 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001000893865 665951842 /nfs/dbraw/zinc/95/18/42/665951842.db2.gz KBPCEWGHFCIHCE-MRXNPFEDSA-N 1 3 309.454 0.847 20 0 DCADHO CC1(C)[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)[C@@H]2CCCN[C@@H]21 ZINC000902521290 663417528 /nfs/dbraw/zinc/41/75/28/663417528.db2.gz QYHUMQVRYWQXAK-KWCYVHTRSA-N 1 3 306.410 0.705 20 0 DCADHO Cc1cc(NC(=O)CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)no1 ZINC000903441881 663455446 /nfs/dbraw/zinc/45/54/46/663455446.db2.gz DCZCRTPBJAVFOE-KGLIPLIRSA-N 1 3 321.425 0.667 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491906 663458260 /nfs/dbraw/zinc/45/82/60/663458260.db2.gz FUUYHKUZSRYJOE-OHHDELOUSA-N 1 3 311.426 0.502 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1CC[NH3+] ZINC000903736094 663478036 /nfs/dbraw/zinc/47/80/36/663478036.db2.gz UVDKKHRIRXNEKK-KFWWJZLASA-N 1 3 322.453 0.126 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN[C@H]2CNCCC2(F)F)cnn1C ZINC000903918626 663495660 /nfs/dbraw/zinc/49/56/60/663495660.db2.gz CZSRFJFUELOSIS-AAEUAGOBSA-N 1 3 301.385 0.433 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nc(C)ccc1[O-])C2 ZINC000903979236 663499058 /nfs/dbraw/zinc/49/90/58/663499058.db2.gz ZBQRQDRHPQVFDI-OZVIIMIRSA-N 1 3 305.378 0.808 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nc(C)ccc1[O-])C2 ZINC000903979236 663499059 /nfs/dbraw/zinc/49/90/59/663499059.db2.gz ZBQRQDRHPQVFDI-OZVIIMIRSA-N 1 3 305.378 0.808 20 0 DCADHO CC(C)(CNS(C)(=O)=O)NCc1cccc2c1CC[NH2+]C2 ZINC000903988072 663499773 /nfs/dbraw/zinc/49/97/73/663499773.db2.gz NFARNAZOZAEBFZ-UHFFFAOYSA-N 1 3 311.451 0.750 20 0 DCADHO C[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[C@@H]1C[NH3+] ZINC000904409926 663512867 /nfs/dbraw/zinc/51/28/67/663512867.db2.gz BEUWFDDFXQMGBV-GDBMZVCRSA-N 1 3 318.469 0.645 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000904486651 663515312 /nfs/dbraw/zinc/51/53/12/663515312.db2.gz XAHSYONLKGIOFU-WFASDCNBSA-N 1 3 306.414 0.790 20 0 DCADHO COCC[C@@H]1CNCCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000904484763 663515368 /nfs/dbraw/zinc/51/53/68/663515368.db2.gz JEDWNAYAFQFBTF-CYBMUJFWSA-N 1 3 324.429 0.287 20 0 DCADHO COCC[C@H]1CNCCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000904484815 663515426 /nfs/dbraw/zinc/51/54/26/663515426.db2.gz JEDWNAYAFQFBTF-ZDUSSCGKSA-N 1 3 324.429 0.287 20 0 DCADHO C[C@H](CNC(=[NH2+])NC[C@@H]1CCCS1)CN1CCN(C)CC1 ZINC000905043483 663525400 /nfs/dbraw/zinc/52/54/00/663525400.db2.gz VMQGHWUGTDWEJL-KGLIPLIRSA-N 1 3 313.515 0.879 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000994606 665977498 /nfs/dbraw/zinc/97/74/98/665977498.db2.gz WAFGPBWSCNSUMV-OAHLLOKOSA-N 1 3 305.422 0.935 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000908364142 663752133 /nfs/dbraw/zinc/75/21/33/663752133.db2.gz XKBBJDWXVQGQTM-MRXNPFEDSA-N 1 3 305.426 0.613 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000908364142 663752134 /nfs/dbraw/zinc/75/21/34/663752134.db2.gz XKBBJDWXVQGQTM-MRXNPFEDSA-N 1 3 305.426 0.613 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC000908399539 663753587 /nfs/dbraw/zinc/75/35/87/663753587.db2.gz KJZNIHRYSTYLLN-QGZVFWFLSA-N 1 3 322.497 0.814 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC000908399539 663753588 /nfs/dbraw/zinc/75/35/88/663753588.db2.gz KJZNIHRYSTYLLN-QGZVFWFLSA-N 1 3 322.497 0.814 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CCCCC1 ZINC000910959913 663958822 /nfs/dbraw/zinc/95/88/22/663958822.db2.gz SMGNGDDIJHATGJ-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911056570 663973410 /nfs/dbraw/zinc/97/34/10/663973410.db2.gz VZPLRUQDAHDTLH-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)C1=CCN(C)CC1 ZINC000911219473 664007468 /nfs/dbraw/zinc/00/74/68/664007468.db2.gz NWONSSARCWSHFR-IPYPFGDCSA-N 1 3 322.453 0.196 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000911324713 664028034 /nfs/dbraw/zinc/02/80/34/664028034.db2.gz JWRXDQJCUYWRLS-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911333077 664029954 /nfs/dbraw/zinc/02/99/54/664029954.db2.gz QKZUPOLRKQRPGR-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911337074 664037847 /nfs/dbraw/zinc/03/78/47/664037847.db2.gz PMWNRSPKKSGVNF-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000911492519 664064844 /nfs/dbraw/zinc/06/48/44/664064844.db2.gz FVLQBDHZJCSCIE-RRFJBIMHSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC[NH2+]CC1 ZINC000911529559 664068820 /nfs/dbraw/zinc/06/88/20/664068820.db2.gz CXLPIQGGRODSEN-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000911557571 664078780 /nfs/dbraw/zinc/07/87/80/664078780.db2.gz OYFNDTGVBAHSTF-XJFOESAGSA-N 1 3 310.442 0.077 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)N3CCC[NH2+]CC3)ccc2NC1=O ZINC000911656494 664099093 /nfs/dbraw/zinc/09/90/93/664099093.db2.gz OIYKXVUFSCKSAJ-CYBMUJFWSA-N 1 3 302.378 0.334 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)C[C@@H](C)N1 ZINC000911798637 664110814 /nfs/dbraw/zinc/11/08/14/664110814.db2.gz VTURUYCOZRDRDA-GYSYKLTISA-N 1 3 316.405 0.721 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001649455161 1157429723 /nfs/dbraw/zinc/42/97/23/1157429723.db2.gz BRKMEVCDVXPLIF-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991477269 664360316 /nfs/dbraw/zinc/36/03/16/664360316.db2.gz GFNZXZVVGBXBBK-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991477269 664360321 /nfs/dbraw/zinc/36/03/21/664360321.db2.gz GFNZXZVVGBXBBK-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000732889592 664970247 /nfs/dbraw/zinc/97/02/47/664970247.db2.gz AZFQEODKXGPXAX-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000732889592 664970249 /nfs/dbraw/zinc/97/02/49/664970249.db2.gz AZFQEODKXGPXAX-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[NH+]1CCC(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000916882103 665098788 /nfs/dbraw/zinc/09/87/88/665098788.db2.gz CZLXSPQWNVIESK-INIZCTEOSA-N 1 3 324.469 0.881 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930113813 665254725 /nfs/dbraw/zinc/25/47/25/665254725.db2.gz NMMQFDKQFHIYCS-PVAVHDDUSA-N 1 3 311.470 0.748 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930113813 665254726 /nfs/dbraw/zinc/25/47/26/665254726.db2.gz NMMQFDKQFHIYCS-PVAVHDDUSA-N 1 3 311.470 0.748 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001031681227 665286696 /nfs/dbraw/zinc/28/66/96/665286696.db2.gz JNEIPFGGCDRMFF-FVQBIDKESA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@H]3CCCCO3)C2)CC[N@H+]1C ZINC001031681227 665286697 /nfs/dbraw/zinc/28/66/97/665286697.db2.gz JNEIPFGGCDRMFF-FVQBIDKESA-N 1 3 309.454 0.944 20 0 DCADHO O=C(NCC1CN(CCCO)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730582 665367819 /nfs/dbraw/zinc/36/78/19/665367819.db2.gz RMNTXSGYPPJPMV-INIZCTEOSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(NCC1CN(CCCO)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730582 665367821 /nfs/dbraw/zinc/36/78/21/665367821.db2.gz RMNTXSGYPPJPMV-INIZCTEOSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001033093211 666500777 /nfs/dbraw/zinc/50/07/77/666500777.db2.gz YVWBLTZIVOADAT-BZUAXINKSA-N 1 3 319.453 0.756 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001033093211 666500779 /nfs/dbraw/zinc/50/07/79/666500779.db2.gz YVWBLTZIVOADAT-BZUAXINKSA-N 1 3 319.453 0.756 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004368838 666524988 /nfs/dbraw/zinc/52/49/88/666524988.db2.gz FVBWIXOIRAFFKC-CABCVRRESA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004368838 666524989 /nfs/dbraw/zinc/52/49/89/666524989.db2.gz FVBWIXOIRAFFKC-CABCVRRESA-N 1 3 322.453 0.269 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995878238 666716515 /nfs/dbraw/zinc/71/65/15/666716515.db2.gz DMMXRFAEKXYKSZ-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995878238 666716518 /nfs/dbraw/zinc/71/65/18/666716518.db2.gz DMMXRFAEKXYKSZ-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[NH2+][C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996073946 666735002 /nfs/dbraw/zinc/73/50/02/666735002.db2.gz UDXQWCXJXBDRPC-DLOXAQCQSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000996475548 666797983 /nfs/dbraw/zinc/79/79/83/666797983.db2.gz LGPCNDYTIPBPJL-AWEZNQCLSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+][C@@H]3CCN(C)C3=O)CC2)CCC1 ZINC000996667132 666851940 /nfs/dbraw/zinc/85/19/40/666851940.db2.gz SYDLMKVEDJMUTG-CQSZACIVSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1)C1CCC1 ZINC000996664923 666853765 /nfs/dbraw/zinc/85/37/65/666853765.db2.gz LBOAVKXBTLDYMT-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996677431 666857725 /nfs/dbraw/zinc/85/77/25/666857725.db2.gz RNAGEHSEXKFLTQ-UKRRQHHQSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1)C1CC1 ZINC000996677520 666857849 /nfs/dbraw/zinc/85/78/49/666857849.db2.gz KQSQQBGREMTBMY-HNNXBMFYSA-N 1 3 320.441 0.236 20 0 DCADHO CN1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734280528 666862103 /nfs/dbraw/zinc/86/21/03/666862103.db2.gz MBNLPDZJVKHNQL-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1)N(C)C ZINC000996711057 666868936 /nfs/dbraw/zinc/86/89/36/666868936.db2.gz IWBYYDAOMQBTRM-OAHLLOKOSA-N 1 3 322.457 0.719 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000996713274 666870521 /nfs/dbraw/zinc/87/05/21/666870521.db2.gz RYBDWSRFYJQYGC-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCC[C@@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997039503 667085276 /nfs/dbraw/zinc/08/52/76/667085276.db2.gz DBMRREYVZHLQDU-CQSZACIVSA-N 1 3 319.409 0.154 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000997302884 667236414 /nfs/dbraw/zinc/23/64/14/667236414.db2.gz KMNIVHPKMNPNBM-CQSZACIVSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000997302884 667236416 /nfs/dbraw/zinc/23/64/16/667236416.db2.gz KMNIVHPKMNPNBM-CQSZACIVSA-N 1 3 317.437 0.817 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001035101203 667238971 /nfs/dbraw/zinc/23/89/71/667238971.db2.gz OTRMCGAMXRDERF-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001035101203 667238973 /nfs/dbraw/zinc/23/89/73/667238973.db2.gz OTRMCGAMXRDERF-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997297224 667239493 /nfs/dbraw/zinc/23/94/93/667239493.db2.gz DKEKDPUNPIMFAD-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997297224 667239495 /nfs/dbraw/zinc/23/94/95/667239495.db2.gz DKEKDPUNPIMFAD-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001035126227 667252206 /nfs/dbraw/zinc/25/22/06/667252206.db2.gz VOTAZAMDBJJJRQ-CHWSQXEVSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001035126227 667252208 /nfs/dbraw/zinc/25/22/08/667252208.db2.gz VOTAZAMDBJJJRQ-CHWSQXEVSA-N 1 3 306.414 0.145 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC3(CC[N@H+](CCO)C3)CC2)C1 ZINC001035227023 667272278 /nfs/dbraw/zinc/27/22/78/667272278.db2.gz MWSAHMORCWVTAH-HNNXBMFYSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC3(CC[N@@H+](CCO)C3)CC2)C1 ZINC001035227023 667272281 /nfs/dbraw/zinc/27/22/81/667272281.db2.gz MWSAHMORCWVTAH-HNNXBMFYSA-N 1 3 309.454 0.635 20 0 DCADHO CN(C(=O)[C@H](O)c1cnc[nH]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865727659 667341791 /nfs/dbraw/zinc/34/17/91/667341791.db2.gz DVIXVPIULIJFIR-DZGCQCFKSA-N 1 3 321.425 0.070 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997611807 667348533 /nfs/dbraw/zinc/34/85/33/667348533.db2.gz HNSSANQJVAJVHK-CQSZACIVSA-N 1 3 323.466 0.961 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997611801 667348867 /nfs/dbraw/zinc/34/88/67/667348867.db2.gz HNSSANQJVAJVHK-AWEZNQCLSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035724114 667404182 /nfs/dbraw/zinc/40/41/82/667404182.db2.gz QQCLFKDXLOEECY-AWEZNQCLSA-N 1 3 309.454 0.776 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001036326656 667436293 /nfs/dbraw/zinc/43/62/93/667436293.db2.gz OVNIEEQFTYYZDA-ZIAGYGMSSA-N 1 3 319.409 0.202 20 0 DCADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000923287968 667496794 /nfs/dbraw/zinc/49/67/94/667496794.db2.gz SQJBUZMJZQLDNM-ZNMIVQPWSA-N 1 3 322.453 0.092 20 0 DCADHO CCN1C(=O)[C@H]2CN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000923315690 667503073 /nfs/dbraw/zinc/50/30/73/667503073.db2.gz XZDXKVULFZNPBZ-JALIKCBVSA-N 1 3 320.437 0.875 20 0 DCADHO CN(CCN1CCN(c2ccccc2)CC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326782 667509192 /nfs/dbraw/zinc/50/91/92/667509192.db2.gz KEHPXOFXHDOTLW-SZMVWBNQSA-N 1 3 318.465 0.591 20 0 DCADHO O[C@@H](COc1ccc(F)cc1)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923367445 667517914 /nfs/dbraw/zinc/51/79/14/667517914.db2.gz VEERMFWSILPKAL-HZPDHXFCSA-N 1 3 323.412 0.545 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC000923411934 667529527 /nfs/dbraw/zinc/52/95/27/667529527.db2.gz TXOHCWHZNDLCHR-JKSUJKDBSA-N 1 3 301.394 0.587 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC000923411934 667529530 /nfs/dbraw/zinc/52/95/30/667529530.db2.gz TXOHCWHZNDLCHR-JKSUJKDBSA-N 1 3 301.394 0.587 20 0 DCADHO C[C@@H]1CN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1C[NH3+] ZINC000923502640 667547813 /nfs/dbraw/zinc/54/78/13/667547813.db2.gz XXPGOXGGDLDKMS-VNHYZAJKSA-N 1 3 305.426 0.832 20 0 DCADHO C[C@H]1CN(CC(=O)NCc2ccc3c(c2)OCO3)CC[C@H]1C[NH3+] ZINC000923510364 667551253 /nfs/dbraw/zinc/55/12/53/667551253.db2.gz SOYFTHDGIZHHOK-JSGCOSHPSA-N 1 3 319.405 0.948 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)N1CCC(C)CC1 ZINC000884502797 667557480 /nfs/dbraw/zinc/55/74/80/667557480.db2.gz TWNNNXYJRDKQRI-MJBXVCDLSA-N 1 3 310.442 0.171 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868404371 667566510 /nfs/dbraw/zinc/56/65/10/667566510.db2.gz FAYKDDUONQNRHZ-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@H]1C[NH3+] ZINC000868403939 667566826 /nfs/dbraw/zinc/56/68/26/667566826.db2.gz BDIFRCKSHHCXLO-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[C@H](N2CCCC2)C1 ZINC000868420109 667570443 /nfs/dbraw/zinc/57/04/43/667570443.db2.gz UIPKELWQQLAULV-SOUVJXGZSA-N 1 3 320.437 0.036 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C2CNC2)C1 ZINC000923593096 667575076 /nfs/dbraw/zinc/57/50/76/667575076.db2.gz HOQFRVPGNVQBKC-RYUDHWBXSA-N 1 3 303.472 0.634 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000884623390 667577990 /nfs/dbraw/zinc/57/79/90/667577990.db2.gz BHKWBCYCCMMDCU-ZDUSSCGKSA-N 1 3 322.453 0.483 20 0 DCADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000884631612 667579847 /nfs/dbraw/zinc/57/98/47/667579847.db2.gz PXXDAFWMLSUEBD-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCC1(C)C ZINC000884694515 667593951 /nfs/dbraw/zinc/59/39/51/667593951.db2.gz OZBKYPPEERXHLE-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000884776429 667605858 /nfs/dbraw/zinc/60/58/58/667605858.db2.gz SHMGREYPAPTMRP-RBSFLKMASA-N 1 3 322.453 0.459 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[NH2+]1 ZINC000884819777 667610823 /nfs/dbraw/zinc/61/08/23/667610823.db2.gz JCCKGQOWPAZXJR-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884875619 667617382 /nfs/dbraw/zinc/61/73/82/667617382.db2.gz HGFLTHOJSBYXCW-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](O)CNCCF)C1 ZINC001725709949 1157760325 /nfs/dbraw/zinc/76/03/25/1157760325.db2.gz YTSCCGZLUZZPCG-UONOGXRCSA-N 1 3 303.422 0.487 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H](O)CNCCF)C1 ZINC001725709949 1157760333 /nfs/dbraw/zinc/76/03/33/1157760333.db2.gz YTSCCGZLUZZPCG-UONOGXRCSA-N 1 3 303.422 0.487 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)CC1 ZINC000870508173 667742988 /nfs/dbraw/zinc/74/29/88/667742988.db2.gz VNXOJDIFSPJVID-MRXNPFEDSA-N 1 3 320.481 0.711 20 0 DCADHO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000872146186 667868262 /nfs/dbraw/zinc/86/82/62/667868262.db2.gz HRBKCFJQLAIWLD-JJXSEGSLSA-N 1 3 309.454 0.728 20 0 DCADHO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246963 668068399 /nfs/dbraw/zinc/06/83/99/668068399.db2.gz FOAJQSHSLUCMIB-BLLLJJGKSA-N 1 3 300.410 0.766 20 0 DCADHO O=C1COC[C@]2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)COCCN12 ZINC000873266867 668070520 /nfs/dbraw/zinc/07/05/20/668070520.db2.gz RSAOABHUAHDJTQ-DLTWYDFYSA-N 1 3 323.437 0.125 20 0 DCADHO O=C1COC[C@]2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)COCCN12 ZINC000873266866 668070725 /nfs/dbraw/zinc/07/07/25/668070725.db2.gz RSAOABHUAHDJTQ-ANQUJSFKSA-N 1 3 323.437 0.125 20 0 DCADHO C[C@@H]1C[C@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC[N@@H+]1C ZINC000924629482 668223171 /nfs/dbraw/zinc/22/31/71/668223171.db2.gz PRQFERAWUAQQGP-MCIONIFRSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@@H]1C[C@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC[N@H+]1C ZINC000924629482 668223175 /nfs/dbraw/zinc/22/31/75/668223175.db2.gz PRQFERAWUAQQGP-MCIONIFRSA-N 1 3 308.426 0.875 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924775804 668237024 /nfs/dbraw/zinc/23/70/24/668237024.db2.gz AKAPEMJKXPRDEM-KGLIPLIRSA-N 1 3 310.442 0.836 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924775804 668237028 /nfs/dbraw/zinc/23/70/28/668237028.db2.gz AKAPEMJKXPRDEM-KGLIPLIRSA-N 1 3 310.442 0.836 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CNCCOC1)N1CCN(c2ccccc2)CC1 ZINC000925545781 668328760 /nfs/dbraw/zinc/32/87/60/668328760.db2.gz KQDIOCPNSOKCLZ-IRXDYDNUSA-N 1 3 318.465 0.775 20 0 DCADHO CC1(C)[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]2CCCN[C@@H]21 ZINC000925620948 668337168 /nfs/dbraw/zinc/33/71/68/668337168.db2.gz DTSGLVXAWSWRQL-YIYPIFLZSA-N 1 3 315.483 0.634 20 0 DCADHO C[C@H](N[C@@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000925769599 668346773 /nfs/dbraw/zinc/34/67/73/668346773.db2.gz PBFADRMMBIHQHL-YESZJQIVSA-N 1 3 310.486 0.371 20 0 DCADHO CN(C)S(=O)(=O)C1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925776070 668347957 /nfs/dbraw/zinc/34/79/57/668347957.db2.gz VIRHEOVXQFRPBJ-VXGBXAGGSA-N 1 3 303.472 0.906 20 0 DCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000926335278 668395103 /nfs/dbraw/zinc/39/51/03/668395103.db2.gz XKRAVUBJVDMKJI-CABCVRRESA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926381410 668400986 /nfs/dbraw/zinc/40/09/86/668400986.db2.gz UHLKDPKDPJGKHW-KBPBESRZSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](CCNC(=O)NC[C@H]1CCN1C1CCOCC1)[NH+](C)C ZINC000927634794 668488848 /nfs/dbraw/zinc/48/88/48/668488848.db2.gz YMLIRRCOUGDEHM-DZGCQCFKSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(CN)cnn1C ZINC000876735572 668499348 /nfs/dbraw/zinc/49/93/48/668499348.db2.gz FXSZCNGHIKBNQU-JHJVBQTASA-N 1 3 307.442 0.975 20 0 DCADHO CCC[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1CCOC ZINC000766972785 668555360 /nfs/dbraw/zinc/55/53/60/668555360.db2.gz KSSQNOHMIZFSSU-SJORKVTESA-N 1 3 313.486 0.876 20 0 DCADHO CC[NH2+][C@H](C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206534 668575805 /nfs/dbraw/zinc/57/58/05/668575805.db2.gz JJNOVVJBQPELEX-LLVKDONJSA-N 1 3 302.382 0.340 20 0 DCADHO COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CNCCO3)C[C@H]2[NH3+])cc1 ZINC000877236068 668580049 /nfs/dbraw/zinc/58/00/49/668580049.db2.gz VQZOMQJMCFNIMC-OWCLPIDISA-N 1 3 319.405 0.327 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000877341699 668605631 /nfs/dbraw/zinc/60/56/31/668605631.db2.gz ZAWCSKABJFNQJY-YQQAZPJKSA-N 1 3 303.406 0.584 20 0 DCADHO C[NH+]1CCC(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000878510702 668734257 /nfs/dbraw/zinc/73/42/57/668734257.db2.gz QHPFCZNKETWSGS-CQSZACIVSA-N 1 3 303.406 0.659 20 0 DCADHO Cn1cc(N2CCC[C@@H](N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C2=O)cn1 ZINC000931435038 669203573 /nfs/dbraw/zinc/20/35/73/669203573.db2.gz FASZWCTZSLRIRY-IJEWVQPXSA-N 1 3 317.437 0.799 20 0 DCADHO Cn1cc(N2CCC[C@@H](N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C2=O)cn1 ZINC000931435038 669203581 /nfs/dbraw/zinc/20/35/81/669203581.db2.gz FASZWCTZSLRIRY-IJEWVQPXSA-N 1 3 317.437 0.799 20 0 DCADHO C[C@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000881024373 669287557 /nfs/dbraw/zinc/28/75/57/669287557.db2.gz ZGLXNFKFSDDWEB-WFASDCNBSA-N 1 3 316.409 0.717 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1cnccn1 ZINC000855345655 670700544 /nfs/dbraw/zinc/70/05/44/670700544.db2.gz FAEPCDRIWJIHDF-UZYOAWRESA-N 1 3 305.426 0.878 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1cnccn1 ZINC000855345655 670700549 /nfs/dbraw/zinc/70/05/49/670700549.db2.gz FAEPCDRIWJIHDF-UZYOAWRESA-N 1 3 305.426 0.878 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCC(OC)CC1 ZINC000849011843 670749758 /nfs/dbraw/zinc/74/97/58/670749758.db2.gz QVAFANGXUZRYFX-AWEZNQCLSA-N 1 3 311.474 0.695 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000849049709 670756752 /nfs/dbraw/zinc/75/67/52/670756752.db2.gz KLNHNBZJNAFKBB-QWHCGFSZSA-N 1 3 309.414 0.568 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000849605030 670825867 /nfs/dbraw/zinc/82/58/67/670825867.db2.gz ZQVCSIIEPAGHGM-LSDHHAIUSA-N 1 3 321.469 0.912 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849613143 670826913 /nfs/dbraw/zinc/82/69/13/670826913.db2.gz PHEAUHFMVMIHRY-AEGPPILISA-N 1 3 307.442 0.522 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N1CCCCC1 ZINC000857100762 670881613 /nfs/dbraw/zinc/88/16/13/670881613.db2.gz MQAYIVDOGZSKFQ-JKIFEVAISA-N 1 3 322.453 0.317 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000851691756 671016523 /nfs/dbraw/zinc/01/65/23/671016523.db2.gz RTHJFNZGEWXXBD-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CON(C)C(=O)CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000819174791 671100394 /nfs/dbraw/zinc/10/03/94/671100394.db2.gz RHGVMFVSFGJKCO-HUUCEWRRSA-N 1 3 313.442 0.754 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000852861461 671177819 /nfs/dbraw/zinc/17/78/19/671177819.db2.gz VYAMXLNJCLUXIT-JHJVBQTASA-N 1 3 312.414 0.096 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CN1Cc1ccccc1 ZINC000852869379 671180152 /nfs/dbraw/zinc/18/01/52/671180152.db2.gz DSQHNCJCARLHAM-SNPRPXQTSA-N 1 3 316.405 0.869 20 0 DCADHO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000852884005 671185165 /nfs/dbraw/zinc/18/51/65/671185165.db2.gz RRKRZCXNFFKYLA-HUUCEWRRSA-N 1 3 316.405 0.823 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@@H]21 ZINC000841790788 671955556 /nfs/dbraw/zinc/95/55/56/671955556.db2.gz KBMHQNYFIYLSDY-DGXTUMSLSA-N 1 3 322.453 0.618 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842015127 671974123 /nfs/dbraw/zinc/97/41/23/671974123.db2.gz GYQJAAYVDZSZED-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000842014594 671974130 /nfs/dbraw/zinc/97/41/30/671974130.db2.gz CVBIOORGQPGQAW-PBHICJAKSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N1CCCCC1 ZINC000842016350 671974588 /nfs/dbraw/zinc/97/45/88/671974588.db2.gz UJUAVLSWQVIRHO-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000842016304 671974920 /nfs/dbraw/zinc/97/49/20/671974920.db2.gz UALKXXBVSQZZKQ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000842015857 671974932 /nfs/dbraw/zinc/97/49/32/671974932.db2.gz PBHQPDGVHGJXEM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000842099177 671982082 /nfs/dbraw/zinc/98/20/82/671982082.db2.gz XZHFHCMPMGXLFM-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842175191 671989284 /nfs/dbraw/zinc/98/92/84/671989284.db2.gz OVYLCLZIBRGEEK-WLYUNCDWSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558107 685426673 /nfs/dbraw/zinc/42/66/73/685426673.db2.gz KXPSXSQBGKRMPW-MCIONIFRSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892570137 685429451 /nfs/dbraw/zinc/42/94/51/685429451.db2.gz KXPSXSQBGKRMPW-MGPQQGTHSA-N 1 3 310.442 0.618 20 0 DCADHO CCOC(=O)CC[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000385646409 685246983 /nfs/dbraw/zinc/24/69/83/685246983.db2.gz JFVGSCXFPZZHNB-IHRRRGAJSA-N 1 3 300.399 0.143 20 0 DCADHO CCOC(=O)CC[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000385646409 685246986 /nfs/dbraw/zinc/24/69/86/685246986.db2.gz JFVGSCXFPZZHNB-IHRRRGAJSA-N 1 3 300.399 0.143 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3CCCN3C)C2)C1 ZINC000953904590 685895314 /nfs/dbraw/zinc/89/53/14/685895314.db2.gz GCXZGFDVJHSXPT-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3CCCN3C)C2)C1 ZINC000953904590 685895315 /nfs/dbraw/zinc/89/53/15/685895315.db2.gz GCXZGFDVJHSXPT-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000955340593 686372622 /nfs/dbraw/zinc/37/26/22/686372622.db2.gz KAERXOIBDVGMDQ-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000955340593 686372630 /nfs/dbraw/zinc/37/26/30/686372630.db2.gz KAERXOIBDVGMDQ-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000958727026 687879614 /nfs/dbraw/zinc/87/96/14/687879614.db2.gz BZFLUNOHKZXVJO-ZBFHGGJFSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000958727026 687879623 /nfs/dbraw/zinc/87/96/23/687879623.db2.gz BZFLUNOHKZXVJO-ZBFHGGJFSA-N 1 3 305.422 0.791 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC000960137878 688308877 /nfs/dbraw/zinc/30/88/77/688308877.db2.gz WOMLQKPYFBNUCV-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914629 688482224 /nfs/dbraw/zinc/48/22/24/688482224.db2.gz URKKRAKABGVBNF-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914629 688482226 /nfs/dbraw/zinc/48/22/26/688482226.db2.gz URKKRAKABGVBNF-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963420783 689048386 /nfs/dbraw/zinc/04/83/86/689048386.db2.gz YYTWWYPJLZSVEY-LSDHHAIUSA-N 1 3 322.453 0.271 20 0 DCADHO NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963420783 689048389 /nfs/dbraw/zinc/04/83/89/689048389.db2.gz YYTWWYPJLZSVEY-LSDHHAIUSA-N 1 3 322.453 0.271 20 0 DCADHO CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000963839725 689102800 /nfs/dbraw/zinc/10/28/00/689102800.db2.gz WCRIGAIFJCHECS-XDWDKAQSSA-N 1 3 307.438 0.887 20 0 DCADHO NC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172922 694317254 /nfs/dbraw/zinc/31/72/54/694317254.db2.gz IZXHQSHUCOSHSF-HNNXBMFYSA-N 1 3 322.453 0.128 20 0 DCADHO NC(=O)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172922 694317260 /nfs/dbraw/zinc/31/72/60/694317260.db2.gz IZXHQSHUCOSHSF-HNNXBMFYSA-N 1 3 322.453 0.128 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968703148 690372862 /nfs/dbraw/zinc/37/28/62/690372862.db2.gz UGOVXADDVTYYNT-GDBMZVCRSA-N 1 3 317.437 0.452 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCN(CCCO)C2)cc1 ZINC001015840108 692465990 /nfs/dbraw/zinc/46/59/90/692465990.db2.gz SVKSVQCQNFBNBB-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO Cc1nc(C)n(CCN2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001016251425 692617327 /nfs/dbraw/zinc/61/73/27/692617327.db2.gz LSJMZBDWAXVLBJ-OAHLLOKOSA-N 1 3 320.441 0.181 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCO)C3)C1 ZINC001040395392 694545758 /nfs/dbraw/zinc/54/57/58/694545758.db2.gz PHRGBHJMLWRINH-NVXWUHKLSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCO)C3)C1 ZINC001040395392 694545759 /nfs/dbraw/zinc/54/57/59/694545759.db2.gz PHRGBHJMLWRINH-NVXWUHKLSA-N 1 3 309.454 0.635 20 0 DCADHO CN1CC[C@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019087959 693350151 /nfs/dbraw/zinc/35/01/51/693350151.db2.gz HCBFCLDAKRCBBR-KBPBESRZSA-N 1 3 320.437 0.036 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019169809 693376820 /nfs/dbraw/zinc/37/68/20/693376820.db2.gz MEBWRAIGUWGDOQ-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO C[NH+](C)CCc1ccccc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019190215 693382668 /nfs/dbraw/zinc/38/26/68/693382668.db2.gz DFJSMYPYHCGDHM-AWEZNQCLSA-N 1 3 318.421 0.080 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC001019289865 693421273 /nfs/dbraw/zinc/42/12/73/693421273.db2.gz HVIDBQDMYKQXPT-KKUMJFAQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC001019289865 693421276 /nfs/dbraw/zinc/42/12/76/693421276.db2.gz HVIDBQDMYKQXPT-KKUMJFAQSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001019660158 693558843 /nfs/dbraw/zinc/55/88/43/693558843.db2.gz ALFLWJFCKJFKMQ-HNNXBMFYSA-N 1 3 315.421 0.571 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1NC(=O)CC[NH+](C)C ZINC001074198112 694838548 /nfs/dbraw/zinc/83/85/48/694838548.db2.gz KCOISXYXDWQBEV-JSGCOSHPSA-N 1 3 321.425 0.257 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C)N(C)C ZINC001074710661 694918432 /nfs/dbraw/zinc/91/84/32/694918432.db2.gz CBMDTNQESSOUNV-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)o1 ZINC001076714013 695040069 /nfs/dbraw/zinc/04/00/69/695040069.db2.gz DOJBOLQZUCFTBU-BFHYXJOUSA-N 1 3 308.378 0.790 20 0 DCADHO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)o1 ZINC001076714013 695040070 /nfs/dbraw/zinc/04/00/70/695040070.db2.gz DOJBOLQZUCFTBU-BFHYXJOUSA-N 1 3 308.378 0.790 20 0 DCADHO Cn1cc(CC[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001267068402 1157682216 /nfs/dbraw/zinc/68/22/16/1157682216.db2.gz FZBSBQWCTIGSEW-INIZCTEOSA-N 1 3 319.453 0.497 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)[C@@H]2C1 ZINC001648944140 1158013150 /nfs/dbraw/zinc/01/31/50/1158013150.db2.gz XQOPZYLDUVZJDP-GCSSGZNBSA-N 1 3 322.453 0.489 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)[C@@H]2C1 ZINC001648944140 1158013157 /nfs/dbraw/zinc/01/31/57/1158013157.db2.gz XQOPZYLDUVZJDP-GCSSGZNBSA-N 1 3 322.453 0.489 20 0 DCADHO CCc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC001648962384 1158189459 /nfs/dbraw/zinc/18/94/59/1158189459.db2.gz RHKZOGIXNKYWKO-IAGOWNOFSA-N 1 3 318.465 0.872 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001101037439 1158373978 /nfs/dbraw/zinc/37/39/78/1158373978.db2.gz MZKHFTZZNITVPQ-RUXDESIVSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914065753 1158466095 /nfs/dbraw/zinc/46/60/95/1158466095.db2.gz DSMXSWVPROAXNB-GJZGRUSLSA-N 1 3 315.483 0.686 20 0 DCADHO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914065753 1158466097 /nfs/dbraw/zinc/46/60/97/1158466097.db2.gz DSMXSWVPROAXNB-GJZGRUSLSA-N 1 3 315.483 0.686 20 0 DCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc3c(c1)OCCNC3)C2 ZINC001649050795 1158624571 /nfs/dbraw/zinc/62/45/71/1158624571.db2.gz GYGWWVKLHHSOQI-WMLDXEAASA-N 1 3 301.390 0.850 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001649152667 1158821632 /nfs/dbraw/zinc/82/16/32/1158821632.db2.gz IOZIKTZCRCDNNI-CALCHBBNSA-N 1 3 317.437 0.827 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001649152667 1158821640 /nfs/dbraw/zinc/82/16/40/1158821640.db2.gz IOZIKTZCRCDNNI-CALCHBBNSA-N 1 3 317.437 0.827 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCO)[C@H](C)C2)CC1 ZINC001185380683 1158873295 /nfs/dbraw/zinc/87/32/95/1158873295.db2.gz LPNUTMKJMRYPSC-CVEARBPZSA-N 1 3 311.470 0.785 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](N)CC2CC2)CC1 ZINC001333641677 1159165962 /nfs/dbraw/zinc/16/59/62/1159165962.db2.gz AGAIAHOMGCZJJP-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CC[NH+](C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001446553665 1159468834 /nfs/dbraw/zinc/46/88/34/1159468834.db2.gz JXVVMWBOIUXPCU-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001446553668 1159469196 /nfs/dbraw/zinc/46/91/96/1159469196.db2.gz JXVVMWBOIUXPCU-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001447183230 1159598902 /nfs/dbraw/zinc/59/89/02/1159598902.db2.gz OIDVRDTYDIKOOG-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001447183230 1159598908 /nfs/dbraw/zinc/59/89/08/1159598908.db2.gz OIDVRDTYDIKOOG-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001447514555 1159655031 /nfs/dbraw/zinc/65/50/31/1159655031.db2.gz ITOIDJJFGFCGGO-MCIONIFRSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](C[NH2+]CCn1cccn1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001568278249 1160619032 /nfs/dbraw/zinc/61/90/32/1160619032.db2.gz QPBQJRJPBJDYRA-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](C[NH2+]CCO[C@H]1CC1(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001568302485 1160625631 /nfs/dbraw/zinc/62/56/31/1160625631.db2.gz AUMBBAJEDUMINT-JQWIXIFHSA-N 1 3 316.352 0.813 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001568714812 1160745791 /nfs/dbraw/zinc/74/57/91/1160745791.db2.gz ZCJGSDTWQJVOPN-UONOGXRCSA-N 1 3 322.457 0.590 20 0 DCADHO CC[C@@H]([NH2+]CCCN(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001569252087 1160994363 /nfs/dbraw/zinc/99/43/63/1160994363.db2.gz UXEBXRXIFXJARE-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC001575833215 1164167036 /nfs/dbraw/zinc/16/70/36/1164167036.db2.gz PZFAGHGSULYYGW-HNNXBMFYSA-N 1 3 324.425 0.269 20 0 DCADHO C[C@@H](CC(=O)N[C@@H](CO)CN1CCCCC1)C1CC[NH2+]CC1 ZINC001575924295 1164186271 /nfs/dbraw/zinc/18/62/71/1164186271.db2.gz WNOQGYJZVJQARK-GOEBONIOSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC001575961154 1164192984 /nfs/dbraw/zinc/19/29/84/1164192984.db2.gz BVTDAWDDSDJJLB-GJZGRUSLSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCc1cn[nH]n1 ZINC001576024136 1164214668 /nfs/dbraw/zinc/21/46/68/1164214668.db2.gz RMRYLSLUJLZBEJ-OCCSQVGLSA-N 1 3 308.430 0.268 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576478069 1164357950 /nfs/dbraw/zinc/35/79/50/1164357950.db2.gz MUGKAVTXMSCOJQ-HIFRSBDPSA-N 1 3 322.457 0.564 20 0 DCADHO C[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC001576732504 1164445571 /nfs/dbraw/zinc/44/55/71/1164445571.db2.gz WONOWLRDUKLVLB-OCCSQVGLSA-N 1 3 311.451 0.793 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001576747479 1164449042 /nfs/dbraw/zinc/44/90/42/1164449042.db2.gz BCHJGROQFNMCAW-BARDWOONSA-N 1 3 315.483 0.778 20 0 DCADHO C[C@H]1CN(C(=O)C2(C3(O)C[NH2+]C3)CCC2)CCN1C1CCCC1 ZINC001576759740 1164453052 /nfs/dbraw/zinc/45/30/52/1164453052.db2.gz CMSBIPUCNWBFCZ-AWEZNQCLSA-N 1 3 321.465 0.966 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1([C@@]2(O)CCC[NH2+]C2)CCC1 ZINC001576797219 1164467244 /nfs/dbraw/zinc/46/72/44/1164467244.db2.gz AYKUYGHZKUWZRB-QIIPPGSGSA-N 1 3 321.465 0.870 20 0 DCADHO CN(CCC[NH2+]CCc1c[nH]nn1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001576809580 1164472868 /nfs/dbraw/zinc/47/28/68/1164472868.db2.gz DTIWYKYVZKRZOU-CHWSQXEVSA-N 1 3 317.397 0.312 20 0 DCADHO C[C@@H](CNCc1c[nH]nn1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001577139094 1164612410 /nfs/dbraw/zinc/61/24/10/1164612410.db2.gz ZYVHWKQORDZKEW-SWLSCSKDSA-N 1 3 320.441 0.806 20 0 DCADHO C[C@@H](CNCc1c[nH]nn1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001577139094 1164612413 /nfs/dbraw/zinc/61/24/13/1164612413.db2.gz ZYVHWKQORDZKEW-SWLSCSKDSA-N 1 3 320.441 0.806 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001577548402 1164722363 /nfs/dbraw/zinc/72/23/63/1164722363.db2.gz QIKQDIAWEQKSCA-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001577548401 1164722692 /nfs/dbraw/zinc/72/26/92/1164722692.db2.gz QIKQDIAWEQKSCA-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCN(CCC(=O)NCC[C@@H]2CCC[NH2+]CC2)CC1 ZINC001577778313 1164790470 /nfs/dbraw/zinc/79/04/70/1164790470.db2.gz SITGVRBLGYZMOK-MRXNPFEDSA-N 1 3 310.486 0.910 20 0 DCADHO O=C(Cc1cncs1)NC[C@H]1CCCN1CCc1cn[nH]n1 ZINC001577966334 1164866305 /nfs/dbraw/zinc/86/63/05/1164866305.db2.gz YDWKEVSSFFNAPF-GFCCVEGCSA-N 1 3 320.422 0.627 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001578533726 1165051000 /nfs/dbraw/zinc/05/10/00/1165051000.db2.gz VJKIIUHNMRZDKW-HUUCEWRRSA-N 1 3 308.470 0.742 20 0 DCADHO COC(=O)C[C@H](N)C(=O)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001578814647 1165126545 /nfs/dbraw/zinc/12/65/45/1165126545.db2.gz AYXQTGSXYBMNOL-KBPBESRZSA-N 1 3 323.368 0.059 20 0 DCADHO COC(=O)Cn1cc(CCN[C@H](C[NH3+])C2CCCCC2)nn1 ZINC001578820476 1165129374 /nfs/dbraw/zinc/12/93/74/1165129374.db2.gz YMMZWYPYMFPKKK-CQSZACIVSA-N 1 3 309.414 0.491 20 0 DCADHO COCC[C@H]([NH3+])CNC[C@@H](O)CN1CCc2ccccc2C1 ZINC001579002396 1165184894 /nfs/dbraw/zinc/18/48/94/1165184894.db2.gz BIOZEVPLRMJYRK-DLBZAZTESA-N 1 3 307.438 0.359 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC001580211010 1165538619 /nfs/dbraw/zinc/53/86/19/1165538619.db2.gz SNGZJBAKSARUTO-KYJSFNMBSA-N 1 3 317.433 0.824 20 0 DCADHO O=C1O[C@H](CN[C@]2(CO)CCCc3ccccc32)CC12C[NH2+]C2 ZINC001580858654 1165740145 /nfs/dbraw/zinc/74/01/45/1165740145.db2.gz NFJLTUUOGBILCV-KSSFIOAISA-N 1 3 316.401 0.705 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/CNC(=O)CC[NH+](C)C)C1 ZINC001583562165 1166269843 /nfs/dbraw/zinc/26/98/43/1166269843.db2.gz YDWBUSFORRNFIL-ISZGNANSSA-N 1 3 310.442 0.069 20 0 DCADHO COc1ccc(COC[C@H](O)CNC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001646520811 1172412475 /nfs/dbraw/zinc/41/24/75/1172412475.db2.gz VVMKURGOXFZWAV-NVXWUHKLSA-N 1 3 324.421 0.229 20 0 DCADHO COc1ccc(COC[C@H](O)CNC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001646520811 1172412478 /nfs/dbraw/zinc/41/24/78/1172412478.db2.gz VVMKURGOXFZWAV-NVXWUHKLSA-N 1 3 324.421 0.229 20 0 DCADHO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001646738543 1172500919 /nfs/dbraw/zinc/50/09/19/1172500919.db2.gz JFSMBMNHYNHITP-CQSZACIVSA-N 1 3 318.421 0.970 20 0 DCADHO C[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C[C@H](O)C[NH2+]1 ZINC001646741371 1172502796 /nfs/dbraw/zinc/50/27/96/1172502796.db2.gz BSXPCZNDLCJMBB-XYJFISCASA-N 1 3 317.433 0.880 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001646743074 1172505074 /nfs/dbraw/zinc/50/50/74/1172505074.db2.gz JWYMBZCSFWDXQX-XHSDSOJGSA-N 1 3 310.486 0.894 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001646747666 1172507542 /nfs/dbraw/zinc/50/75/42/1172507542.db2.gz JUIKMARZLIWVJV-DIECFANBSA-N 1 3 319.449 0.982 20 0 DCADHO COC1CCN(CCNC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001646747748 1172508100 /nfs/dbraw/zinc/50/81/00/1172508100.db2.gz KZAVCJWNJSVGJO-OAHLLOKOSA-N 1 3 309.454 0.993 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC001647253616 1172767779 /nfs/dbraw/zinc/76/77/79/1172767779.db2.gz MAZNDGWQWHVFCH-XOUADPBQSA-N 1 3 307.438 0.968 20 0 DCADHO CN1CCN(C2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001647340865 1172824958 /nfs/dbraw/zinc/82/49/58/1172824958.db2.gz RLKOLOGZYBPHLO-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO COc1ccccc1COC[C@@H](O)CNC[C@]1(O)CC[N@H+](C)C1 ZINC001647560764 1172971569 /nfs/dbraw/zinc/97/15/69/1172971569.db2.gz SNIOTKJAWRECIO-DOTOQJQBSA-N 1 3 324.421 0.229 20 0 DCADHO COc1ccccc1COC[C@@H](O)CNC[C@]1(O)CC[N@@H+](C)C1 ZINC001647560764 1172971576 /nfs/dbraw/zinc/97/15/76/1172971576.db2.gz SNIOTKJAWRECIO-DOTOQJQBSA-N 1 3 324.421 0.229 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001647600995 1172993995 /nfs/dbraw/zinc/99/39/95/1172993995.db2.gz CMQKDCLQWKJSKC-LSDHHAIUSA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001647600995 1172993998 /nfs/dbraw/zinc/99/39/98/1172993998.db2.gz CMQKDCLQWKJSKC-LSDHHAIUSA-N 1 3 324.469 0.685 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001649701234 1173172327 /nfs/dbraw/zinc/17/23/27/1173172327.db2.gz TUTBKZOKEPVEAC-ZDUSSCGKSA-N 1 3 303.410 0.724 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001649701234 1173172333 /nfs/dbraw/zinc/17/23/33/1173172333.db2.gz TUTBKZOKEPVEAC-ZDUSSCGKSA-N 1 3 303.410 0.724 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC001650178253 1173499834 /nfs/dbraw/zinc/49/98/34/1173499834.db2.gz MCTURRXWHMBYNH-KFWWJZLASA-N 1 3 312.458 0.378 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001650331829 1173572017 /nfs/dbraw/zinc/57/20/17/1173572017.db2.gz ISZPUKUDNXSWQO-BMFZPTHFSA-N 1 3 305.422 0.594 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001650338875 1173576481 /nfs/dbraw/zinc/57/64/81/1173576481.db2.gz DSFPNJIEJHFKIQ-LRDDRELGSA-N 1 3 313.442 0.105 20 0 DCADHO CCOCCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001663722018 1174344779 /nfs/dbraw/zinc/34/47/79/1174344779.db2.gz AUCICXXMGZZZQM-MRXNPFEDSA-N 1 3 309.454 0.945 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664369663 1174426817 /nfs/dbraw/zinc/42/68/17/1174426817.db2.gz GXQQJOLTIWLRGO-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001664369663 1174426821 /nfs/dbraw/zinc/42/68/21/1174426821.db2.gz GXQQJOLTIWLRGO-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CC[NH2+]CCn1cccn1)NC(=O)CN1CC[C@H](C)C1 ZINC001668213728 1174769033 /nfs/dbraw/zinc/76/90/33/1174769033.db2.gz DPFALADWBDADAX-GJZGRUSLSA-N 1 3 307.442 0.709 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001668973246 1174869965 /nfs/dbraw/zinc/86/99/65/1174869965.db2.gz NHYZXISVUYUTOV-CFHLNLSMSA-N 1 3 310.442 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001669206788 1174910843 /nfs/dbraw/zinc/91/08/43/1174910843.db2.gz HOOHCKRJQKHYQG-MBVDDHJVSA-N 1 3 324.469 0.505 20 0 DCADHO CN(CCC[NH2+]CCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001670248356 1174996263 /nfs/dbraw/zinc/99/62/63/1174996263.db2.gz BLVKYAQUVRGPGK-OAHLLOKOSA-N 1 3 303.422 0.629 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)CN(C)C(C)C)C1=O ZINC001670357866 1175006464 /nfs/dbraw/zinc/00/64/64/1175006464.db2.gz VAUVUIUJJQIJNF-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001672702086 1175145617 /nfs/dbraw/zinc/14/56/17/1175145617.db2.gz QNSYOULNTAQHLV-ZDUSSCGKSA-N 1 3 301.406 0.241 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001672702085 1175145746 /nfs/dbraw/zinc/14/57/46/1175145746.db2.gz QNSYOULNTAQHLV-CYBMUJFWSA-N 1 3 301.406 0.241 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCNC(=O)C1CC1 ZINC001676424302 1175444672 /nfs/dbraw/zinc/44/46/72/1175444672.db2.gz OVVVDLSEZVEXAS-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCC(=O)NCCNC(=O)C(C)(C)N1CCCCC1 ZINC001686644991 1176182891 /nfs/dbraw/zinc/18/28/91/1176182891.db2.gz SDEICAOMROCWEJ-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCn2cccn2)C1 ZINC001690731022 1177312273 /nfs/dbraw/zinc/31/22/73/1177312273.db2.gz YOJBYSDKKRUIRU-HUUCEWRRSA-N 1 3 305.426 0.415 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001690731023 1177313255 /nfs/dbraw/zinc/31/32/55/1177313255.db2.gz YOJBYSDKKRUIRU-LSDHHAIUSA-N 1 3 305.426 0.415 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001692136268 1177424063 /nfs/dbraw/zinc/42/40/63/1177424063.db2.gz PLDXVBXFAOUYSL-LBPRGKRZSA-N 1 3 321.425 0.640 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001692136268 1177424068 /nfs/dbraw/zinc/42/40/68/1177424068.db2.gz PLDXVBXFAOUYSL-LBPRGKRZSA-N 1 3 321.425 0.640 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001698844351 1177691088 /nfs/dbraw/zinc/69/10/88/1177691088.db2.gz ZEFAUXJJWFVILB-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001699048502 1177798663 /nfs/dbraw/zinc/79/86/63/1177798663.db2.gz SBRBXOPJXGVKRZ-LLVKDONJSA-N 1 3 311.348 0.490 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001699207469 1177941031 /nfs/dbraw/zinc/94/10/31/1177941031.db2.gz OICYGRRSTQWXSV-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCn2cccn2)C1 ZINC001699306864 1178052008 /nfs/dbraw/zinc/05/20/08/1178052008.db2.gz AJIORHCEVIWCJX-GWQWAINWSA-N 1 3 305.426 0.487 20 0 DCADHO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)ncn1 ZINC001699500317 1178166194 /nfs/dbraw/zinc/16/61/94/1178166194.db2.gz SOTQRYRNGNNWAH-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCCNC(=O)CC[NH+](C)C)c1 ZINC001720135098 1179269339 /nfs/dbraw/zinc/26/93/39/1179269339.db2.gz WLZOIMBNAPGCPJ-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1)C1CCC1 ZINC001713160309 1180702488 /nfs/dbraw/zinc/70/24/88/1180702488.db2.gz ZHVKDBVCWKJZNS-HDJSIYSDSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713240773 1180732525 /nfs/dbraw/zinc/73/25/25/1180732525.db2.gz PRCZPRQCBPGGLQ-UONOGXRCSA-N 1 3 308.426 0.941 20 0 DCADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCO ZINC001713334536 1180772974 /nfs/dbraw/zinc/77/29/74/1180772974.db2.gz BMJOYHFQNGNPLT-WFASDCNBSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001713626834 1180976862 /nfs/dbraw/zinc/97/68/62/1180976862.db2.gz XDKOTYNTMDBNFG-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001713626834 1180976868 /nfs/dbraw/zinc/97/68/68/1180976868.db2.gz XDKOTYNTMDBNFG-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]CCn2cccn2)C1 ZINC001714085276 1181238205 /nfs/dbraw/zinc/23/82/05/1181238205.db2.gz SYMGDDHPEGZGBU-CQSZACIVSA-N 1 3 316.409 0.677 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715749239 1181974522 /nfs/dbraw/zinc/97/45/22/1181974522.db2.gz PWNHPZQFSPWMDI-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)n1 ZINC001715801188 1182012020 /nfs/dbraw/zinc/01/20/20/1182012020.db2.gz TXMQUVHGADWGMU-AWFCHZOYSA-N 1 3 319.453 0.856 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001723102493 1184263716 /nfs/dbraw/zinc/26/37/16/1184263716.db2.gz FVEQQUSRHFIZMB-UHFFFAOYSA-N 1 3 308.430 0.095 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)NC2CC2)C1 ZINC001723123369 1184264098 /nfs/dbraw/zinc/26/40/98/1184264098.db2.gz ODUWQYRMROKXSK-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)=CC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724400377 1184430014 /nfs/dbraw/zinc/43/00/14/1184430014.db2.gz XRWZFQHJYILMIE-KRWDZBQOSA-N 1 3 309.454 0.990 20 0 DCADHO CC(C)=CC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724400377 1184430021 /nfs/dbraw/zinc/43/00/21/1184430021.db2.gz XRWZFQHJYILMIE-KRWDZBQOSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]CCN(CCO)C(=O)Cc2c[nH]cn2)CCO1 ZINC001724682737 1184518129 /nfs/dbraw/zinc/51/81/29/1184518129.db2.gz ZYTIROSQIZXQTR-UONOGXRCSA-N 1 3 324.425 0.178 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001731858865 1185535006 /nfs/dbraw/zinc/53/50/06/1185535006.db2.gz VOFHWAKPDDXWTN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001731975240 1185620456 /nfs/dbraw/zinc/62/04/56/1185620456.db2.gz QYELEKUEERRILT-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CC[NH2+]Cc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001732728965 1185938970 /nfs/dbraw/zinc/93/89/70/1185938970.db2.gz PMHFIYNJSQFVQA-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001732813248 1185979892 /nfs/dbraw/zinc/97/98/92/1185979892.db2.gz WRUXJWCBBRYTTF-GASCZTMLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001732813248 1185979897 /nfs/dbraw/zinc/97/98/97/1185979897.db2.gz WRUXJWCBBRYTTF-GASCZTMLSA-N 1 3 324.469 0.530 20 0 DCADHO CCOCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733300121 1186217628 /nfs/dbraw/zinc/21/76/28/1186217628.db2.gz JIVAQOUIOUHUQM-MRXNPFEDSA-N 1 3 306.410 0.913 20 0 DCADHO CCOCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733300121 1186217636 /nfs/dbraw/zinc/21/76/36/1186217636.db2.gz JIVAQOUIOUHUQM-MRXNPFEDSA-N 1 3 306.410 0.913 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001742518893 1187999063 /nfs/dbraw/zinc/99/90/63/1187999063.db2.gz IUINQOOKYQVFEI-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001742518893 1187999066 /nfs/dbraw/zinc/99/90/66/1187999066.db2.gz IUINQOOKYQVFEI-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001771820439 1188338787 /nfs/dbraw/zinc/33/87/87/1188338787.db2.gz PSQFUTZTGAEHHQ-CVEARBPZSA-N 1 3 307.438 0.528 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001752628920 1188429902 /nfs/dbraw/zinc/42/99/02/1188429902.db2.gz MNBHBORNPWAHOR-KKUMJFAQSA-N 1 3 313.442 0.105 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC001752954148 1188467222 /nfs/dbraw/zinc/46/72/22/1188467222.db2.gz SNRQZTPFYSPGCH-HIFRSBDPSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001753264495 1188553660 /nfs/dbraw/zinc/55/36/60/1188553660.db2.gz UNBXXTRMMZYUEU-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cccn1 ZINC001754267316 1188803077 /nfs/dbraw/zinc/80/30/77/1188803077.db2.gz FNZOQUIBSBEYOH-GJZGRUSLSA-N 1 3 307.442 0.850 20 0 DCADHO Cn1nncc1CNCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001754930154 1188975232 /nfs/dbraw/zinc/97/52/32/1188975232.db2.gz DZIXBBNYCOKVPE-CYBMUJFWSA-N 1 3 308.430 0.095 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001755458321 1189117231 /nfs/dbraw/zinc/11/72/31/1189117231.db2.gz CIKSXCHAIPSJHL-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO Cn1cncc1CCC[N@@H+]1CCC[C@H]1C(=O)N1CCNCC1 ZINC000314954044 1190403910 /nfs/dbraw/zinc/40/39/10/1190403910.db2.gz UMGRTUDYTDQPPC-HNNXBMFYSA-N 1 3 305.426 0.249 20 0 DCADHO Cn1cncc1CCC[N@H+]1CCC[C@H]1C(=O)N1CCNCC1 ZINC000314954044 1190403915 /nfs/dbraw/zinc/40/39/15/1190403915.db2.gz UMGRTUDYTDQPPC-HNNXBMFYSA-N 1 3 305.426 0.249 20 0 DCADHO O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001772315347 1190661487 /nfs/dbraw/zinc/66/14/87/1190661487.db2.gz GDVKZICHKAMIMW-HZPDHXFCSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC001772321873 1190662320 /nfs/dbraw/zinc/66/23/20/1190662320.db2.gz GRVYJWPHMMQPDH-HUUCEWRRSA-N 1 3 309.385 0.923 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001772430930 1190680693 /nfs/dbraw/zinc/68/06/93/1190680693.db2.gz DENLSKDEIPUOPL-PMPSAXMXSA-N 1 3 324.469 0.711 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001772430930 1190680695 /nfs/dbraw/zinc/68/06/95/1190680695.db2.gz DENLSKDEIPUOPL-PMPSAXMXSA-N 1 3 324.469 0.711 20 0 DCADHO OC[C@]12C[NH2+]C[C@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164409274 718854417 /nfs/dbraw/zinc/85/44/17/718854417.db2.gz UWMVBRNGWSFYGU-DOTOQJQBSA-N 1 3 302.422 0.696 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466496 751406981 /nfs/dbraw/zinc/40/69/81/751406981.db2.gz PIKBTZLKLMABBC-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001127474235 751411704 /nfs/dbraw/zinc/41/17/04/751411704.db2.gz KNKANXXPYPIBIT-HNNXBMFYSA-N 1 3 318.421 0.638 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CCCC1 ZINC001127474850 751412533 /nfs/dbraw/zinc/41/25/33/751412533.db2.gz PLTGJNIMNSSZOC-OAHLLOKOSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc3nonc3c2)CC[N@@H+]1C ZINC001127637874 751599569 /nfs/dbraw/zinc/59/95/69/751599569.db2.gz ATOUHRKEONSONE-DGCLKSJQSA-N 1 3 317.393 0.769 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc3nonc3c2)CC[N@H+]1C ZINC001127637874 751599573 /nfs/dbraw/zinc/59/95/73/751599573.db2.gz ATOUHRKEONSONE-DGCLKSJQSA-N 1 3 317.393 0.769 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127707268 751854415 /nfs/dbraw/zinc/85/44/15/751854415.db2.gz XZXFCWQTWPZCRK-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127707268 751854422 /nfs/dbraw/zinc/85/44/22/751854422.db2.gz XZXFCWQTWPZCRK-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001167224487 747025252 /nfs/dbraw/zinc/02/52/52/747025252.db2.gz KXVMFUTZPJLWDL-KGLIPLIRSA-N 1 3 322.453 0.235 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)CCOC)CC1 ZINC001098540386 747110110 /nfs/dbraw/zinc/11/01/10/747110110.db2.gz HPYYKZGHCGIKLL-UHFFFAOYSA-N 1 3 315.458 0.260 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)CCOC)CC1 ZINC001098540386 747110115 /nfs/dbraw/zinc/11/01/15/747110115.db2.gz HPYYKZGHCGIKLL-UHFFFAOYSA-N 1 3 315.458 0.260 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)C1 ZINC001083248176 747422480 /nfs/dbraw/zinc/42/24/80/747422480.db2.gz UVZJBYFSKIJFEW-HRCADAONSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)C1 ZINC001083248176 747422482 /nfs/dbraw/zinc/42/24/82/747422482.db2.gz UVZJBYFSKIJFEW-HRCADAONSA-N 1 3 307.438 0.650 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001167626456 747436381 /nfs/dbraw/zinc/43/63/81/747436381.db2.gz BKIFMQPPVMJVHH-CABCVRRESA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676672 747595144 /nfs/dbraw/zinc/59/51/44/747595144.db2.gz RNCKAUMHIQEDNW-NFOMZHRRSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO)C1CCC1 ZINC001087363868 747767693 /nfs/dbraw/zinc/76/76/93/747767693.db2.gz OXRSZOMUEIIOET-ORQFMDKSSA-N 1 3 321.465 0.632 20 0 DCADHO CN(CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO)C1CCC1 ZINC001087363868 747767697 /nfs/dbraw/zinc/76/76/97/747767697.db2.gz OXRSZOMUEIIOET-ORQFMDKSSA-N 1 3 321.465 0.632 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001104809676 747937295 /nfs/dbraw/zinc/93/72/95/747937295.db2.gz NBQVVDZACPIOMV-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)CNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321039 748130511 /nfs/dbraw/zinc/13/05/11/748130511.db2.gz WCHYKASAOPNCBD-UHFFFAOYSA-N 1 3 308.430 0.359 20 0 DCADHO NCc1cnn(-c2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)c1 ZINC001168261759 749672587 /nfs/dbraw/zinc/67/25/87/749672587.db2.gz IUVHFPVOOWCWAB-UHFFFAOYSA-N 1 3 320.418 0.857 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518885 750087087 /nfs/dbraw/zinc/08/70/87/750087087.db2.gz VOGMVIMRCMUCAL-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518885 750087092 /nfs/dbraw/zinc/08/70/92/750087092.db2.gz VOGMVIMRCMUCAL-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001083523496 750093406 /nfs/dbraw/zinc/09/34/06/750093406.db2.gz GUVYXVJIYPTCCO-IKGGRYGDSA-N 1 3 321.465 0.965 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001083523496 750093426 /nfs/dbraw/zinc/09/34/26/750093426.db2.gz GUVYXVJIYPTCCO-IKGGRYGDSA-N 1 3 321.465 0.965 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563764 750204310 /nfs/dbraw/zinc/20/43/10/750204310.db2.gz CZJJQKDNZUMZGK-CABCVRRESA-N 1 3 309.454 0.680 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001077152570 750232299 /nfs/dbraw/zinc/23/22/99/750232299.db2.gz XTIWWNDAQPVZJO-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001077152570 750232301 /nfs/dbraw/zinc/23/23/01/750232301.db2.gz XTIWWNDAQPVZJO-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254914 750930871 /nfs/dbraw/zinc/93/08/71/750930871.db2.gz GPYNKVLKXLBKPQ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254914 750930875 /nfs/dbraw/zinc/93/08/75/750930875.db2.gz GPYNKVLKXLBKPQ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254918 750930990 /nfs/dbraw/zinc/93/09/90/750930990.db2.gz GPYNKVLKXLBKPQ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254918 750930996 /nfs/dbraw/zinc/93/09/96/750930996.db2.gz GPYNKVLKXLBKPQ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCn1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)nn1 ZINC001106626988 751208505 /nfs/dbraw/zinc/20/85/05/751208505.db2.gz QKFYWBOCEWSYEJ-ZIAGYGMSSA-N 1 3 322.457 0.434 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106729661 751250623 /nfs/dbraw/zinc/25/06/23/751250623.db2.gz VWCJIHBFHYNMAV-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1 ZINC001106778331 751274901 /nfs/dbraw/zinc/27/49/01/751274901.db2.gz DEUMSLDIBBFKMI-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779346 751275808 /nfs/dbraw/zinc/27/58/08/751275808.db2.gz KIRCYXYGIOIXSM-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C)N(C)C ZINC001045089352 753042661 /nfs/dbraw/zinc/04/26/61/753042661.db2.gz GTXAIPLNAYHLOT-LSDHHAIUSA-N 1 3 307.442 0.841 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C ZINC001045093252 753043658 /nfs/dbraw/zinc/04/36/58/753043658.db2.gz SCBINGKCCSMTBY-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)C1 ZINC001078175401 753081394 /nfs/dbraw/zinc/08/13/94/753081394.db2.gz YQDGTVPIGPNWCB-BZUAXINKSA-N 1 3 309.454 0.680 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)C1 ZINC001078175401 753081399 /nfs/dbraw/zinc/08/13/99/753081399.db2.gz YQDGTVPIGPNWCB-BZUAXINKSA-N 1 3 309.454 0.680 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035635 753439426 /nfs/dbraw/zinc/43/94/26/753439426.db2.gz RDIKQHXTYLWRIW-JKSUJKDBSA-N 1 3 308.470 0.565 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035635 753439430 /nfs/dbraw/zinc/43/94/30/753439430.db2.gz RDIKQHXTYLWRIW-JKSUJKDBSA-N 1 3 308.470 0.565 20 0 DCADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047471001 754310710 /nfs/dbraw/zinc/31/07/10/754310710.db2.gz GPENVVFPCWPRAE-YESZJQIVSA-N 1 3 321.465 0.774 20 0 DCADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047471001 754310712 /nfs/dbraw/zinc/31/07/12/754310712.db2.gz GPENVVFPCWPRAE-YESZJQIVSA-N 1 3 321.465 0.774 20 0 DCADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047471001 754310715 /nfs/dbraw/zinc/31/07/15/754310715.db2.gz GPENVVFPCWPRAE-YESZJQIVSA-N 1 3 321.465 0.774 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048563295 754807759 /nfs/dbraw/zinc/80/77/59/754807759.db2.gz WZHFIUGTVOERBT-QMIVOQANSA-N 1 3 322.453 0.029 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048563295 754807760 /nfs/dbraw/zinc/80/77/60/754807760.db2.gz WZHFIUGTVOERBT-QMIVOQANSA-N 1 3 322.453 0.029 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085196877 754947721 /nfs/dbraw/zinc/94/77/21/754947721.db2.gz RCUBSGDBLAQNIP-MGPQQGTHSA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1)N(C)C ZINC001049064268 755099971 /nfs/dbraw/zinc/09/99/71/755099971.db2.gz BGBNLGHKBSGRSU-XHSDSOJGSA-N 1 3 319.453 0.651 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1)N(C)C ZINC001049064268 755099976 /nfs/dbraw/zinc/09/99/76/755099976.db2.gz BGBNLGHKBSGRSU-XHSDSOJGSA-N 1 3 319.453 0.651 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001049082003 755107592 /nfs/dbraw/zinc/10/75/92/755107592.db2.gz AHVNNUTXIXGMJC-GASCZTMLSA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001049082003 755107595 /nfs/dbraw/zinc/10/75/95/755107595.db2.gz AHVNNUTXIXGMJC-GASCZTMLSA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001049082978 755107998 /nfs/dbraw/zinc/10/79/98/755107998.db2.gz PCEXOVUTXJRBCW-LZWOXQAQSA-N 1 3 318.421 0.912 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001049082978 755108001 /nfs/dbraw/zinc/10/80/01/755108001.db2.gz PCEXOVUTXJRBCW-LZWOXQAQSA-N 1 3 318.421 0.912 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049233392 755196198 /nfs/dbraw/zinc/19/61/98/755196198.db2.gz NRJNQLAWVYOCTK-WCVJEAGWSA-N 1 3 309.454 0.632 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049233392 755196202 /nfs/dbraw/zinc/19/62/02/755196202.db2.gz NRJNQLAWVYOCTK-WCVJEAGWSA-N 1 3 309.454 0.632 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1)N(C)C ZINC001063738478 755255534 /nfs/dbraw/zinc/25/55/34/755255534.db2.gz UKEVAIFKUIYOQZ-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049465411 755275145 /nfs/dbraw/zinc/27/51/45/755275145.db2.gz RYSSEVJHEJBXCO-OWCLPIDISA-N 1 3 309.454 0.917 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049465411 755275148 /nfs/dbraw/zinc/27/51/48/755275148.db2.gz RYSSEVJHEJBXCO-OWCLPIDISA-N 1 3 309.454 0.917 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO)N1CCCC1 ZINC001049627802 755340424 /nfs/dbraw/zinc/34/04/24/755340424.db2.gz BVABKXVQVKHLRD-HUUCEWRRSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO)N1CCCC1 ZINC001049627802 755340427 /nfs/dbraw/zinc/34/04/27/755340427.db2.gz BVABKXVQVKHLRD-HUUCEWRRSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2CCO)[NH+]1CCCC1 ZINC001049627802 755340429 /nfs/dbraw/zinc/34/04/29/755340429.db2.gz BVABKXVQVKHLRD-HUUCEWRRSA-N 1 3 309.454 0.918 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCn1cc(Cl)cn1 ZINC001168764351 755672832 /nfs/dbraw/zinc/67/28/32/755672832.db2.gz ZWVIFXYWPOBHBG-UHFFFAOYSA-N 1 3 315.849 0.974 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001097581266 755683128 /nfs/dbraw/zinc/68/31/28/755683128.db2.gz VGHACBIAZZZOQS-WCXIOVBPSA-N 1 3 321.465 0.965 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@@H]1CCCN(CC(N)=O)CC1 ZINC001052872153 755849272 /nfs/dbraw/zinc/84/92/72/755849272.db2.gz XBKOSGKSDJYSGS-GFCCVEGCSA-N 1 3 319.409 0.217 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052872153 755849277 /nfs/dbraw/zinc/84/92/77/755849277.db2.gz XBKOSGKSDJYSGS-GFCCVEGCSA-N 1 3 319.409 0.217 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052872153 755849283 /nfs/dbraw/zinc/84/92/83/755849283.db2.gz XBKOSGKSDJYSGS-GFCCVEGCSA-N 1 3 319.409 0.217 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1C ZINC001080021584 756077132 /nfs/dbraw/zinc/07/71/32/756077132.db2.gz GTNQVZUHORDCAM-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1C ZINC001080021584 756077138 /nfs/dbraw/zinc/07/71/38/756077138.db2.gz GTNQVZUHORDCAM-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001080021584 756077143 /nfs/dbraw/zinc/07/71/43/756077143.db2.gz GTNQVZUHORDCAM-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001080021584 756077147 /nfs/dbraw/zinc/07/71/47/756077147.db2.gz GTNQVZUHORDCAM-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001054296422 756426240 /nfs/dbraw/zinc/42/62/40/756426240.db2.gz BPGRLOAGHAGOCK-HZSPNIEDSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054742314 756623939 /nfs/dbraw/zinc/62/39/39/756623939.db2.gz YWCPRYHZEIUJTC-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001072481404 762512369 /nfs/dbraw/zinc/51/23/69/762512369.db2.gz QGQRUIVXYQQGCW-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082557549 757187064 /nfs/dbraw/zinc/18/70/64/757187064.db2.gz MVPCUYDBJIXJNM-MGPQQGTHSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001082589187 757195825 /nfs/dbraw/zinc/19/58/25/757195825.db2.gz NJQFOYCEBZBHGC-RBSFLKMASA-N 1 3 307.442 0.660 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001082747276 757235694 /nfs/dbraw/zinc/23/56/94/757235694.db2.gz ISRHHOWHQQUYII-YUELXQCFSA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001082943946 757339885 /nfs/dbraw/zinc/33/98/85/757339885.db2.gz SZHIPBLIEXIYIK-UMVBOHGHSA-N 1 3 310.442 0.029 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001072544151 762557968 /nfs/dbraw/zinc/55/79/68/762557968.db2.gz CCNLMRLOXIQKOH-OAHLLOKOSA-N 1 3 317.437 0.512 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072544151 762557972 /nfs/dbraw/zinc/55/79/72/762557972.db2.gz CCNLMRLOXIQKOH-OAHLLOKOSA-N 1 3 317.437 0.512 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183145 757561368 /nfs/dbraw/zinc/56/13/68/757561368.db2.gz PQRFAFXMLILOSA-JKSUJKDBSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3c(n2)OCCNC3)O1 ZINC001170272945 762588296 /nfs/dbraw/zinc/58/82/96/762588296.db2.gz MIRZYUVYWBCGJM-IOASZLSFSA-N 1 3 322.409 0.700 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC001050680582 757962532 /nfs/dbraw/zinc/96/25/32/757962532.db2.gz DQIZKFGAHGBBCI-AWEZNQCLSA-N 1 3 318.421 0.913 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050765476 758037569 /nfs/dbraw/zinc/03/75/69/758037569.db2.gz ROZVZMPHMABADH-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC2CCC2)C1)C1CC1 ZINC001051654177 758840220 /nfs/dbraw/zinc/84/02/20/758840220.db2.gz IRCSQZWDOIRYLR-JKSUJKDBSA-N 1 3 309.454 0.944 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001085422353 758865901 /nfs/dbraw/zinc/86/59/01/758865901.db2.gz QJMMIAGUUVGVIU-NWANDNLSSA-N 1 3 320.441 0.284 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085422353 758865915 /nfs/dbraw/zinc/86/59/15/758865915.db2.gz QJMMIAGUUVGVIU-NWANDNLSSA-N 1 3 320.441 0.284 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085422352 758866015 /nfs/dbraw/zinc/86/60/15/758866015.db2.gz QJMMIAGUUVGVIU-BPLDGKMQSA-N 1 3 320.441 0.284 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085422352 758866022 /nfs/dbraw/zinc/86/60/22/758866022.db2.gz QJMMIAGUUVGVIU-BPLDGKMQSA-N 1 3 320.441 0.284 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099987191 759123807 /nfs/dbraw/zinc/12/38/07/759123807.db2.gz WERXIZSIIKICQE-JKSUJKDBSA-N 1 3 309.454 0.990 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001147823911 767851983 /nfs/dbraw/zinc/85/19/83/767851983.db2.gz GOTVSTKJGZIVSP-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147822768 767852292 /nfs/dbraw/zinc/85/22/92/767852292.db2.gz ACLQRTULHARPTA-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001147900228 767877670 /nfs/dbraw/zinc/87/76/70/767877670.db2.gz KGIOCXZVFZRWCS-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001147900228 767877676 /nfs/dbraw/zinc/87/76/76/767877676.db2.gz KGIOCXZVFZRWCS-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001147900176 767878113 /nfs/dbraw/zinc/87/81/13/767878113.db2.gz JAOXMTKQTZFRAU-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001147900176 767878121 /nfs/dbraw/zinc/87/81/21/767878121.db2.gz JAOXMTKQTZFRAU-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001147899972 767878298 /nfs/dbraw/zinc/87/82/98/767878298.db2.gz FJCHZBYPKWFMCX-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001147899972 767878304 /nfs/dbraw/zinc/87/83/04/767878304.db2.gz FJCHZBYPKWFMCX-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086271540 759930617 /nfs/dbraw/zinc/93/06/17/759930617.db2.gz CMCXNJUOXURINA-MELADBBJSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086271540 759930622 /nfs/dbraw/zinc/93/06/22/759930622.db2.gz CMCXNJUOXURINA-MELADBBJSA-N 1 3 320.441 0.234 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086272092 759934013 /nfs/dbraw/zinc/93/40/13/759934013.db2.gz UWBGHOIEYQAXON-UPJWGTAASA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086272092 759934018 /nfs/dbraw/zinc/93/40/18/759934018.db2.gz UWBGHOIEYQAXON-UPJWGTAASA-N 1 3 323.466 0.783 20 0 DCADHO CC[C@@H](C(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001067837120 760139056 /nfs/dbraw/zinc/13/90/56/760139056.db2.gz CCZWBDXPZKYXHN-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001155791597 760171790 /nfs/dbraw/zinc/17/17/90/760171790.db2.gz XPKCCMFHQCZUGK-CQSZACIVSA-N 1 3 310.442 0.235 20 0 DCADHO Cc1nocc1CNCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530609 760715252 /nfs/dbraw/zinc/71/52/52/760715252.db2.gz FQVIIJGTCWWKGA-UHFFFAOYSA-N 1 3 324.425 0.690 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169542184 760719442 /nfs/dbraw/zinc/71/94/42/760719442.db2.gz WYIRYJFWQTZOHE-UHFFFAOYSA-N 1 3 323.441 0.127 20 0 DCADHO CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769440 761039537 /nfs/dbraw/zinc/03/95/37/761039537.db2.gz RHGDGLQJWJSBLY-GUTXKFCHSA-N 1 3 306.410 0.958 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364344 761050595 /nfs/dbraw/zinc/05/05/95/761050595.db2.gz STDRRWKFGLLCGT-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001070756275 761433119 /nfs/dbraw/zinc/43/31/19/761433119.db2.gz JDQLLBBUKCYNLJ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001070756275 761433120 /nfs/dbraw/zinc/43/31/20/761433120.db2.gz JDQLLBBUKCYNLJ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001071256406 761748578 /nfs/dbraw/zinc/74/85/78/761748578.db2.gz WJOQVGNCIOCSPG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001086551787 761823242 /nfs/dbraw/zinc/82/32/42/761823242.db2.gz LWIUIQLDUCNIBA-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001086551787 761823249 /nfs/dbraw/zinc/82/32/49/761823249.db2.gz LWIUIQLDUCNIBA-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1ccnn1C ZINC001129417834 762933858 /nfs/dbraw/zinc/93/38/58/762933858.db2.gz QEVVNNFXAXJQCC-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1ccnn1C ZINC001129417834 762933866 /nfs/dbraw/zinc/93/38/66/762933866.db2.gz QEVVNNFXAXJQCC-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001129422097 762934215 /nfs/dbraw/zinc/93/42/15/762934215.db2.gz FMDDRQZOGDGMBS-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001129422097 762934218 /nfs/dbraw/zinc/93/42/18/762934218.db2.gz FMDDRQZOGDGMBS-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC001129436951 762943866 /nfs/dbraw/zinc/94/38/66/762943866.db2.gz TYHIAQONXUUQOW-SJORKVTESA-N 1 3 319.449 0.636 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)CN(C)C2CCC2)C1=O ZINC001129534966 762960248 /nfs/dbraw/zinc/96/02/48/762960248.db2.gz GDSKITJKLQCIMC-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535352 762961068 /nfs/dbraw/zinc/96/10/68/762961068.db2.gz NZCPYASTNBNJEN-HNNXBMFYSA-N 1 3 315.458 0.210 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535496 762961800 /nfs/dbraw/zinc/96/18/00/762961800.db2.gz VBUCBZOPTCJMHN-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001129849453 763024686 /nfs/dbraw/zinc/02/46/86/763024686.db2.gz FXZILSXYYJAKIN-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001129849453 763024695 /nfs/dbraw/zinc/02/46/95/763024695.db2.gz FXZILSXYYJAKIN-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCN(C2CCC2)C1=O)[NH+](C)C ZINC001129949964 763054955 /nfs/dbraw/zinc/05/49/55/763054955.db2.gz LVSYFGJWMCDKOG-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001129949249 763055267 /nfs/dbraw/zinc/05/52/67/763055267.db2.gz AKUNXURYEWFCPB-ZDUSSCGKSA-N 1 3 315.849 0.829 20 0 DCADHO COCCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 ZINC001099872083 763089060 /nfs/dbraw/zinc/08/90/60/763089060.db2.gz OKFUZZPICNCANM-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 ZINC001099872083 763089067 /nfs/dbraw/zinc/08/90/67/763089067.db2.gz OKFUZZPICNCANM-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001086982396 768109912 /nfs/dbraw/zinc/10/99/12/768109912.db2.gz GYWLWYGBHMVJSX-JKSUJKDBSA-N 1 3 319.453 0.808 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H]1COc2ccccc2O1)N(C)C ZINC001130203854 763176560 /nfs/dbraw/zinc/17/65/60/763176560.db2.gz ZOPLJZSQSDWAOK-ZIAGYGMSSA-N 1 3 321.421 0.872 20 0 DCADHO Cc1cccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)c1 ZINC001099986701 763188809 /nfs/dbraw/zinc/18/88/09/763188809.db2.gz OBMFOHMCCIXADF-IAGOWNOFSA-N 1 3 319.449 0.998 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001130426750 763298500 /nfs/dbraw/zinc/29/85/00/763298500.db2.gz BGDQWUZGWZPVLE-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CCN(c2ccc(NCCOCCOCC[NH3+])cc2)CC1 ZINC001170510547 763431489 /nfs/dbraw/zinc/43/14/89/763431489.db2.gz CVRUQDJCCYZQIQ-UHFFFAOYSA-N 1 3 322.453 0.842 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410866 763560617 /nfs/dbraw/zinc/56/06/17/763560617.db2.gz QREUQYMIWCCLAA-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCn3cncn3)C2)C1 ZINC001100678473 763718340 /nfs/dbraw/zinc/71/83/40/763718340.db2.gz MBQFZSCYXKLLSL-NFOMZHRRSA-N 1 3 320.441 0.104 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001100678784 763720531 /nfs/dbraw/zinc/72/05/31/763720531.db2.gz WRWOETGWXFTYQP-HLIUYOAVSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001100683804 763723738 /nfs/dbraw/zinc/72/37/38/763723738.db2.gz SJWOXHDDXGBLNO-PIMMBPRGSA-N 1 3 324.469 0.432 20 0 DCADHO CCCCCCN(C)CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100764745 763771006 /nfs/dbraw/zinc/77/10/06/763771006.db2.gz CODJELOWSMZNHK-UHFFFAOYSA-N 1 3 312.458 0.468 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)N2CCC2)CCCCC1 ZINC001131794023 764022841 /nfs/dbraw/zinc/02/28/41/764022841.db2.gz IUHOZXSZKNYJNP-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049360 768190183 /nfs/dbraw/zinc/19/01/83/768190183.db2.gz ARRBYKUOWNBDAZ-ZENOOKHLSA-N 1 3 306.410 0.767 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049360 768190188 /nfs/dbraw/zinc/19/01/88/768190188.db2.gz ARRBYKUOWNBDAZ-ZENOOKHLSA-N 1 3 306.410 0.767 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCc1ccnn1C ZINC001132279476 764360607 /nfs/dbraw/zinc/36/06/07/764360607.db2.gz XLQWYHBJSSJAQN-GJZGRUSLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290839 764579558 /nfs/dbraw/zinc/57/95/58/764579558.db2.gz WXWPULLQSUVEGJ-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292451 764581170 /nfs/dbraw/zinc/58/11/70/764581170.db2.gz NTTRFQGYDVUIKH-ZIAGYGMSSA-N 1 3 312.458 0.101 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102475655 764657122 /nfs/dbraw/zinc/65/71/22/764657122.db2.gz YIWUEEIADUHONZ-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102475655 764657128 /nfs/dbraw/zinc/65/71/28/764657128.db2.gz YIWUEEIADUHONZ-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132883516 764706843 /nfs/dbraw/zinc/70/68/43/764706843.db2.gz HDILIFPUTNGTLY-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCO ZINC001132887089 764710795 /nfs/dbraw/zinc/71/07/95/764710795.db2.gz AUWNLPQSCODJTK-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC1CCCC1 ZINC001133051824 764802696 /nfs/dbraw/zinc/80/26/96/764802696.db2.gz QLQXVVYYQHTPEJ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nncn1C ZINC001133090294 764822325 /nfs/dbraw/zinc/82/23/25/764822325.db2.gz FVFYSWSFRNYVPJ-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001133122953 764837327 /nfs/dbraw/zinc/83/73/27/764837327.db2.gz WLSXIAFXHQZBEI-ZIAGYGMSSA-N 1 3 324.469 0.278 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286156 764907193 /nfs/dbraw/zinc/90/71/93/764907193.db2.gz ZPWKJTJPPPLWES-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346377 764936109 /nfs/dbraw/zinc/93/61/09/764936109.db2.gz MAYUWWOSZSWSTJ-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133820113 765150691 /nfs/dbraw/zinc/15/06/91/765150691.db2.gz YQTLMZGHMZBAKJ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133820113 765150695 /nfs/dbraw/zinc/15/06/95/765150695.db2.gz YQTLMZGHMZBAKJ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001133824130 765168021 /nfs/dbraw/zinc/16/80/21/765168021.db2.gz YIPOIJXXARALGV-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC001133866974 765193064 /nfs/dbraw/zinc/19/30/64/765193064.db2.gz QIASQGOHJQMCJS-JSGCOSHPSA-N 1 3 306.410 0.494 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC001133866974 765193066 /nfs/dbraw/zinc/19/30/66/765193066.db2.gz QIASQGOHJQMCJS-JSGCOSHPSA-N 1 3 306.410 0.494 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893521 765212042 /nfs/dbraw/zinc/21/20/42/765212042.db2.gz IEAGFQVNZLGFGQ-ZDUSSCGKSA-N 1 3 320.437 0.245 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001133896733 765214455 /nfs/dbraw/zinc/21/44/55/765214455.db2.gz QRGLNOIHVATXFY-LBPRGKRZSA-N 1 3 319.396 0.848 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)C(C)C)N(C)C ZINC001133965616 765258649 /nfs/dbraw/zinc/25/86/49/765258649.db2.gz BHFNCAOTSJBXRB-ZDUSSCGKSA-N 1 3 321.487 0.246 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001134584350 765581217 /nfs/dbraw/zinc/58/12/17/765581217.db2.gz SLFQXBXWRRMHDC-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001115155935 765611367 /nfs/dbraw/zinc/61/13/67/765611367.db2.gz FMZVLTRZEYWKKD-QLPKVWCKSA-N 1 3 319.453 0.661 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001115155935 765611370 /nfs/dbraw/zinc/61/13/70/765611370.db2.gz FMZVLTRZEYWKKD-QLPKVWCKSA-N 1 3 319.453 0.661 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC001135513766 765967190 /nfs/dbraw/zinc/96/71/90/765967190.db2.gz YBVPTVXHUXWPMH-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513235 765966970 /nfs/dbraw/zinc/96/69/70/765966970.db2.gz IEOIUGXPHIXMRT-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743608 766085813 /nfs/dbraw/zinc/08/58/13/766085813.db2.gz MXJTVFPYGIYNIH-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCOC ZINC001135980764 766193765 /nfs/dbraw/zinc/19/37/65/766193765.db2.gz SDYBGPGLAPZOCI-HUUCEWRRSA-N 1 3 317.474 0.864 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001136032327 766216487 /nfs/dbraw/zinc/21/64/87/766216487.db2.gz ZDOQBLLIVQCHEK-NWDGAFQWSA-N 1 3 312.414 0.142 20 0 DCADHO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](O)C1 ZINC001090828971 766648323 /nfs/dbraw/zinc/64/83/23/766648323.db2.gz VSBUJXZHHOYNCV-CVEARBPZSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](O)C1 ZINC001090828971 766648325 /nfs/dbraw/zinc/64/83/25/766648325.db2.gz VSBUJXZHHOYNCV-CVEARBPZSA-N 1 3 305.422 0.933 20 0 DCADHO CN(CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(N)=[NH2+] ZINC001144141970 766813134 /nfs/dbraw/zinc/81/31/34/766813134.db2.gz FUELWRGJDMXJOP-AWEZNQCLSA-N 1 3 303.410 0.765 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@H]1COCc1ccccc1 ZINC001160526262 766828846 /nfs/dbraw/zinc/82/88/46/766828846.db2.gz ICGXHMITRAVJQH-GJZGRUSLSA-N 1 3 323.462 0.823 20 0 DCADHO COc1ccccc1CCN(C)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160596252 766897946 /nfs/dbraw/zinc/89/79/46/766897946.db2.gz DXJLWYUPORJURO-ZDUSSCGKSA-N 1 3 311.451 0.715 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001120633487 767099353 /nfs/dbraw/zinc/09/93/53/767099353.db2.gz KUBARDHFYOXPDX-KFWWJZLASA-N 1 3 312.458 0.745 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CC3CCC3)C[C@@H]2O)CCC1 ZINC001099875161 767392736 /nfs/dbraw/zinc/39/27/36/767392736.db2.gz WZIOAAXTMHQQDU-GJZGRUSLSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)C[C@@H]2O)CCC1 ZINC001099875161 767392745 /nfs/dbraw/zinc/39/27/45/767392745.db2.gz WZIOAAXTMHQQDU-GJZGRUSLSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H]([NH2+]C1CC2(CC(NC(=O)CN(C)C3CCC3)C2)C1)C(N)=O ZINC001121245414 767479714 /nfs/dbraw/zinc/47/97/14/767479714.db2.gz FOVFFAWRZKUIKE-PJMHRPOASA-N 1 3 322.453 0.362 20 0 DCADHO C[C@H]([NH2+]C1CC2(CC(NC(=O)CN(C)C3CCC3)C2)C1)C(N)=O ZINC001121245415 767480133 /nfs/dbraw/zinc/48/01/33/767480133.db2.gz FOVFFAWRZKUIKE-WVAMNSNQSA-N 1 3 322.453 0.362 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001146591099 767484580 /nfs/dbraw/zinc/48/45/80/767484580.db2.gz FWICJUHZILSWAX-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001146603683 767488218 /nfs/dbraw/zinc/48/82/18/767488218.db2.gz YLGWBMRIYJWOCZ-ZIAGYGMSSA-N 1 3 310.446 0.491 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001146711095 767509689 /nfs/dbraw/zinc/50/96/89/767509689.db2.gz OHMFPAWEQQDNGR-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001146711095 767509691 /nfs/dbraw/zinc/50/96/91/767509691.db2.gz OHMFPAWEQQDNGR-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(=O)NC)C2)N(C)C ZINC001121798947 767637069 /nfs/dbraw/zinc/63/70/69/767637069.db2.gz VEBNDXCJFLHAAH-LRYDMPLDSA-N 1 3 324.469 0.478 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)CNCC[NH3+])cc2)CC1 ZINC001121925764 767670952 /nfs/dbraw/zinc/67/09/52/767670952.db2.gz FCZFDILTBQLUNU-UHFFFAOYSA-N 1 3 305.426 0.315 20 0 DCADHO Cn1cc(CNCCNC(=O)C2CC[NH+](CC3CC3)CC2)cn1 ZINC001147333572 767712243 /nfs/dbraw/zinc/71/22/43/767712243.db2.gz OYDRKZLOJMXPQF-UHFFFAOYSA-N 1 3 319.453 0.748 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@H](CC)C(N)=O ZINC001147358958 767724663 /nfs/dbraw/zinc/72/46/63/767724663.db2.gz KBQARBRMFHGGLB-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@H](CC)C(N)=O ZINC001147358958 767724669 /nfs/dbraw/zinc/72/46/69/767724669.db2.gz KBQARBRMFHGGLB-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001147359916 767724953 /nfs/dbraw/zinc/72/49/53/767724953.db2.gz WVEAJXWMPGKNMX-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001147359916 767724956 /nfs/dbraw/zinc/72/49/56/767724956.db2.gz WVEAJXWMPGKNMX-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001203004909 768514076 /nfs/dbraw/zinc/51/40/76/768514076.db2.gz KKXVYWRKXNSAPE-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001094219486 768886845 /nfs/dbraw/zinc/88/68/45/768886845.db2.gz MIUOVLAEMFQDRD-JHJVBQTASA-N 1 3 323.466 0.674 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001094219486 768886858 /nfs/dbraw/zinc/88/68/58/768886858.db2.gz MIUOVLAEMFQDRD-JHJVBQTASA-N 1 3 323.466 0.674 20 0 DCADHO CCOCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150707450 769165672 /nfs/dbraw/zinc/16/56/72/769165672.db2.gz YMSAVBQKWVITKL-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO CCOCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150707450 769165675 /nfs/dbraw/zinc/16/56/75/769165675.db2.gz YMSAVBQKWVITKL-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO CNC(=O)c1cccc(CNCCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001151065859 769250812 /nfs/dbraw/zinc/25/08/12/769250812.db2.gz NUEGFIZKIPAYBA-HNNXBMFYSA-N 1 3 318.421 0.204 20 0 DCADHO CNC(=O)c1cccc(CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001151065859 769250815 /nfs/dbraw/zinc/25/08/15/769250815.db2.gz NUEGFIZKIPAYBA-HNNXBMFYSA-N 1 3 318.421 0.204 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCOC[C@H]1CCCO1 ZINC001171769659 769372554 /nfs/dbraw/zinc/37/25/54/769372554.db2.gz CFUVIMYMTJUKBB-OAHLLOKOSA-N 1 3 315.458 0.620 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)N1CCCC1 ZINC001152223283 769509358 /nfs/dbraw/zinc/50/93/58/769509358.db2.gz KXLLCLPFVHAVCL-UHFFFAOYSA-N 1 3 310.442 0.191 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)NCCNCC(=O)N2CCC2)c1 ZINC001152237522 769512904 /nfs/dbraw/zinc/51/29/04/769512904.db2.gz OJRRGLXKWABWTP-UHFFFAOYSA-N 1 3 318.421 0.300 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349550 769738078 /nfs/dbraw/zinc/73/80/78/769738078.db2.gz RZIDTJWQGARLGZ-UHFFFAOYSA-N 1 3 323.441 0.079 20 0 DCADHO Cn1cncc1CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153309874 769779710 /nfs/dbraw/zinc/77/97/10/769779710.db2.gz UJPLVULWNWIRKA-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO C[C@@H](CCCCNCc1cn(C)nn1)NC(=O)CC[NH+](C)C ZINC001175049290 769854967 /nfs/dbraw/zinc/85/49/67/769854967.db2.gz SIZHDQJRYLRFIN-ZDUSSCGKSA-N 1 3 310.446 0.531 20 0 DCADHO CC(C)C(=O)N1CCN(CCCC[NH3+])C[C@]2(CCCC(=O)N2)C1 ZINC001235622517 769916012 /nfs/dbraw/zinc/91/60/12/769916012.db2.gz AQMWQGXXLLLMSP-QGZVFWFLSA-N 1 3 324.469 0.564 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](O)COC ZINC001175766741 769959773 /nfs/dbraw/zinc/95/97/73/769959773.db2.gz AHNKSMILQXYLAG-GJZGRUSLSA-N 1 3 317.474 0.600 20 0 DCADHO COc1ccnc(C[NH2+]CCCNC(=O)CN2CCCC2)c1 ZINC001176096322 770020171 /nfs/dbraw/zinc/02/01/71/770020171.db2.gz PQGKVGBQURDPAK-UHFFFAOYSA-N 1 3 306.410 0.782 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](CC)C(N)=O ZINC001176285994 770060893 /nfs/dbraw/zinc/06/08/93/770060893.db2.gz SBXLIESWTULUSB-UONOGXRCSA-N 1 3 314.474 0.857 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1cccnc1 ZINC001238243217 770108718 /nfs/dbraw/zinc/10/87/18/770108718.db2.gz SMDWNIGCTWFQNB-GFCCVEGCSA-N 1 3 310.423 0.234 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1cccnc1 ZINC001238243217 770108722 /nfs/dbraw/zinc/10/87/22/770108722.db2.gz SMDWNIGCTWFQNB-GFCCVEGCSA-N 1 3 310.423 0.234 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccsc1 ZINC001238241673 770108824 /nfs/dbraw/zinc/10/88/24/770108824.db2.gz KQLCJLQVMZYPRX-LLVKDONJSA-N 1 3 315.464 0.901 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccsc1 ZINC001238241673 770108826 /nfs/dbraw/zinc/10/88/26/770108826.db2.gz KQLCJLQVMZYPRX-LLVKDONJSA-N 1 3 315.464 0.901 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001238399180 770113997 /nfs/dbraw/zinc/11/39/97/770113997.db2.gz XYJOVLXIZVRFSK-BTTYYORXSA-N 1 3 301.456 0.531 20 0 DCADHO CC1(NS(=O)(=O)CC[NH3+])CCN(Cc2ccccc2)CC1 ZINC001238889696 770141360 /nfs/dbraw/zinc/14/13/60/770141360.db2.gz WPXGGNVVSXCXKF-UHFFFAOYSA-N 1 3 311.451 0.919 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001176991417 770280162 /nfs/dbraw/zinc/28/01/62/770280162.db2.gz AUFVHLAKPFNQSV-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001206653394 770417682 /nfs/dbraw/zinc/41/76/82/770417682.db2.gz AUZJAVUKMBNQDC-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001178689623 770834783 /nfs/dbraw/zinc/83/47/83/770834783.db2.gz SQZDIFWSTFGULZ-KKUMJFAQSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001178689623 770834797 /nfs/dbraw/zinc/83/47/97/770834797.db2.gz SQZDIFWSTFGULZ-KKUMJFAQSA-N 1 3 324.469 0.526 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731551 770848497 /nfs/dbraw/zinc/84/84/97/770848497.db2.gz XHQVMHCZKRFUDW-BARDWOONSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731551 770848510 /nfs/dbraw/zinc/84/85/10/770848510.db2.gz XHQVMHCZKRFUDW-BARDWOONSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878810 770889249 /nfs/dbraw/zinc/88/92/49/770889249.db2.gz ZRMLLZQTFODEAD-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878810 770889258 /nfs/dbraw/zinc/88/92/58/770889258.db2.gz ZRMLLZQTFODEAD-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902582 770898053 /nfs/dbraw/zinc/89/80/53/770898053.db2.gz XOAVJELQHMEXLQ-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H]1C)N(C)C ZINC001178990246 770923895 /nfs/dbraw/zinc/92/38/95/770923895.db2.gz OPIVNFXGBHYZMB-MELADBBJSA-N 1 3 312.458 0.430 20 0 DCADHO CC[N@H+](CCF)[C@H](C)CNC(=O)[C@H](C)CN1CCOCC1 ZINC001156908432 770962127 /nfs/dbraw/zinc/96/21/27/770962127.db2.gz YGMPVJAUEYGRBL-ZIAGYGMSSA-N 1 3 303.422 0.751 20 0 DCADHO CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@H](C)CN1CCOCC1 ZINC001156908432 770962133 /nfs/dbraw/zinc/96/21/33/770962133.db2.gz YGMPVJAUEYGRBL-ZIAGYGMSSA-N 1 3 303.422 0.751 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359063 770987848 /nfs/dbraw/zinc/98/78/48/770987848.db2.gz NMHGRGRSDMRKQK-KBPBESRZSA-N 1 3 320.441 0.284 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179860957 771030843 /nfs/dbraw/zinc/03/08/43/771030843.db2.gz DOZJFDPFQXMEDU-RDBSUJKOSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179860957 771030847 /nfs/dbraw/zinc/03/08/47/771030847.db2.gz DOZJFDPFQXMEDU-RDBSUJKOSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179968405 771048535 /nfs/dbraw/zinc/04/85/35/771048535.db2.gz UCSAQGBLSXEADB-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180136268 771062227 /nfs/dbraw/zinc/06/22/27/771062227.db2.gz VDYDWGRGCKDNQS-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C)C(N)=O ZINC001180203887 771073993 /nfs/dbraw/zinc/07/39/93/771073993.db2.gz ABCFKKAOXGMGQJ-IHRRRGAJSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001180226883 771077827 /nfs/dbraw/zinc/07/78/27/771077827.db2.gz RLLYCHOHYKMBRO-YDHLFZDLSA-N 1 3 324.469 0.573 20 0 DCADHO CCN(CC)CC(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001180388560 771110986 /nfs/dbraw/zinc/11/09/86/771110986.db2.gz OJGMDTIPVXNPFS-AWEZNQCLSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)N(C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001151048620 771308563 /nfs/dbraw/zinc/30/85/63/771308563.db2.gz CUEAEKAOMCELOK-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001151048620 771308567 /nfs/dbraw/zinc/30/85/67/771308567.db2.gz CUEAEKAOMCELOK-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001181675350 771329878 /nfs/dbraw/zinc/32/98/78/771329878.db2.gz XNMRDENJTORYDM-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(F)(F)F)C1 ZINC001181674272 771330512 /nfs/dbraw/zinc/33/05/12/771330512.db2.gz NPEAHDMKYXPWTO-VXGBXAGGSA-N 1 3 323.359 0.850 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CC(C)(C)C(=O)OC ZINC001182535763 771507455 /nfs/dbraw/zinc/50/74/55/771507455.db2.gz JAPVKKFYYVIASZ-UHFFFAOYSA-N 1 3 300.403 0.640 20 0 DCADHO CCOC(=O)c1cnc(NC(=N)NCCCC[NH3+])c(OC)c1 ZINC001157097093 771534155 /nfs/dbraw/zinc/53/41/55/771534155.db2.gz SOBMEZSEFLFQKJ-UHFFFAOYSA-N 1 3 309.370 0.942 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC)C1 ZINC001183038491 771595036 /nfs/dbraw/zinc/59/50/36/771595036.db2.gz ABJSCCAFFLGDGV-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NCC)C1 ZINC001183038491 771595041 /nfs/dbraw/zinc/59/50/41/771595041.db2.gz ABJSCCAFFLGDGV-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2noc3ccccc32)CC1 ZINC001157518998 771623953 /nfs/dbraw/zinc/62/39/53/771623953.db2.gz DQTWLBPUMXDVHX-ZDUSSCGKSA-N 1 3 317.393 0.543 20 0 DCADHO N[C@H](Cc1ccnc2ccccc12)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544594 771629648 /nfs/dbraw/zinc/62/96/48/771629648.db2.gz FTCRQZPCLBNDQG-MCIONIFRSA-N 1 3 302.353 0.612 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001183450756 771650727 /nfs/dbraw/zinc/65/07/27/771650727.db2.gz YPGKGUOXYWIAOI-MJBXVCDLSA-N 1 3 312.458 0.240 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001183765451 771698720 /nfs/dbraw/zinc/69/87/20/771698720.db2.gz SNUNYJOWNCZINB-CYBMUJFWSA-N 1 3 308.430 0.199 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197047 771739068 /nfs/dbraw/zinc/73/90/68/771739068.db2.gz RFPGTKDAQQXGHP-ZDUSSCGKSA-N 1 3 323.466 0.784 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197227 771739094 /nfs/dbraw/zinc/73/90/94/771739094.db2.gz UCSAKWJVIMJYFZ-CQSZACIVSA-N 1 3 306.410 0.921 20 0 DCADHO C[C@]1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CC[NH2+]C[C@@H]1O ZINC001158328206 771760554 /nfs/dbraw/zinc/76/05/54/771760554.db2.gz WMCQDZYTGGTLHO-DFGXFYAUSA-N 1 3 315.417 0.445 20 0 DCADHO N[C@]1(C(=O)N2CCC[C@H]3[NH2+]C[C@H]32)CCc2cc(F)ccc2C1 ZINC001158422383 771771978 /nfs/dbraw/zinc/77/19/78/771771978.db2.gz KTAXEGLAUGUCJK-BFYDXBDKSA-N 1 3 303.381 0.975 20 0 DCADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)C2 ZINC001158855050 771827561 /nfs/dbraw/zinc/82/75/61/771827561.db2.gz BDKJPQLNXKSEHZ-VIKVFOODSA-N 1 3 317.437 0.600 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC1CC1 ZINC001185214752 771880648 /nfs/dbraw/zinc/88/06/48/771880648.db2.gz XBYSWUBURWLTDS-TZMCWYRMSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185264775 771895464 /nfs/dbraw/zinc/89/54/64/771895464.db2.gz GKFFNDRAQITNAL-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CC[C@@]2(CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]2C)C1=O ZINC001159318985 771895634 /nfs/dbraw/zinc/89/56/34/771895634.db2.gz YZOUAVRUHXJTCC-XEZPLFJOSA-N 1 3 310.442 0.160 20 0 DCADHO Cc1cnc2n1CCC21CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001159381957 771904096 /nfs/dbraw/zinc/90/40/96/771904096.db2.gz IPYZSRWKQGYOJN-AWEZNQCLSA-N 1 3 319.453 0.912 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001185340524 771907573 /nfs/dbraw/zinc/90/75/73/771907573.db2.gz ZERHTQXLYGUHNX-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCO[C@@H]2CC2(F)F)CCC1 ZINC001159853321 771968381 /nfs/dbraw/zinc/96/83/81/771968381.db2.gz CBNDHVBQDQTKTB-GFCCVEGCSA-N 1 3 319.396 0.991 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@H]2CCc3ncnn32)CCC1 ZINC001159860703 771969252 /nfs/dbraw/zinc/96/92/52/771969252.db2.gz CILHEAPKLSFXBQ-CYBMUJFWSA-N 1 3 320.441 0.346 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1cnccn1 ZINC001159923451 771977286 /nfs/dbraw/zinc/97/72/86/771977286.db2.gz GPOWXCVDGWJIBH-IUODEOHRSA-N 1 3 305.426 0.974 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)NC1CC1 ZINC001159931832 771980350 /nfs/dbraw/zinc/98/03/50/771980350.db2.gz JNSPYASKEMELOT-SMDDNHRTSA-N 1 3 310.442 0.090 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)CN(C)C2CCC2)n1 ZINC001159997682 771986212 /nfs/dbraw/zinc/98/62/12/771986212.db2.gz YAXNDOKTSLJTCM-UHFFFAOYSA-N 1 3 322.457 0.475 20 0 DCADHO Cc1nnsc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997831 771986852 /nfs/dbraw/zinc/98/68/52/771986852.db2.gz ZRNCNMABKCZNRG-UHFFFAOYSA-N 1 3 311.455 0.927 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160420980 772034939 /nfs/dbraw/zinc/03/49/39/772034939.db2.gz NGIHDKQVVGXEME-HNNXBMFYSA-N 1 3 324.473 0.789 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427842 772036922 /nfs/dbraw/zinc/03/69/22/772036922.db2.gz VJPXMBDJKONKSV-HNNXBMFYSA-N 1 3 314.474 0.537 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001186487723 772045884 /nfs/dbraw/zinc/04/58/84/772045884.db2.gz MAUWYVAUNIZMFA-OAHLLOKOSA-N 1 3 322.457 0.427 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N(C)C[C@@H]2CCC[NH2+]C2)cn1 ZINC001160695656 772097796 /nfs/dbraw/zinc/09/77/96/772097796.db2.gz OEIJRPSMKLTSGC-OCCSQVGLSA-N 1 3 306.410 0.938 20 0 DCADHO O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CCN2CCC1CC2 ZINC001160726150 772103761 /nfs/dbraw/zinc/10/37/61/772103761.db2.gz JPYARHKYHDDSTG-ZBFHGGJFSA-N 1 3 306.454 0.367 20 0 DCADHO CCOC(=O)CN(Cc1ccsc1)C(=O)[C@@H](N)CCC[NH3+] ZINC001160768941 772109436 /nfs/dbraw/zinc/10/94/36/772109436.db2.gz GRPGSBSLRBZAPU-LBPRGKRZSA-N 1 3 313.423 0.706 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161067151 772161060 /nfs/dbraw/zinc/16/10/60/772161060.db2.gz FSPOAFZTNTWYMI-STQMWFEESA-N 1 3 312.458 0.465 20 0 DCADHO CCOC(=O)C1(CC)CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161131945 772172199 /nfs/dbraw/zinc/17/21/99/772172199.db2.gz TXAAYDZAYAKQLI-ZDUSSCGKSA-N 1 3 323.437 0.377 20 0 DCADHO CN(CCN(C)C(=O)CN1CC[NH2+]CC1)Cc1ccccc1 ZINC001161161542 772179129 /nfs/dbraw/zinc/17/91/29/772179129.db2.gz WIYGLYBZDRSMLP-UHFFFAOYSA-N 1 3 304.438 0.482 20 0 DCADHO CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3cncn3C)C[C@@H]2C1 ZINC001161175656 772181215 /nfs/dbraw/zinc/18/12/15/772181215.db2.gz MZPMQXFUSQILEI-YDHLFZDLSA-N 1 3 305.426 0.090 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CCC(=O)N2)CC1 ZINC001161297536 772198086 /nfs/dbraw/zinc/19/80/86/772198086.db2.gz YJVBGGQPTMMHKL-CYBMUJFWSA-N 1 3 320.437 0.132 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CCC(=O)N2)CC1 ZINC001161297536 772198090 /nfs/dbraw/zinc/19/80/90/772198090.db2.gz YJVBGGQPTMMHKL-CYBMUJFWSA-N 1 3 320.437 0.132 20 0 DCADHO Cc1cnccc1O[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161387889 772215578 /nfs/dbraw/zinc/21/55/78/772215578.db2.gz UUQLVBHEVSBGDP-KBPBESRZSA-N 1 3 316.405 0.179 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161411906 772219555 /nfs/dbraw/zinc/21/95/55/772219555.db2.gz CHTZOGYRWYMLOF-CYDGBPFRSA-N 1 3 311.426 0.502 20 0 DCADHO N[C@@]1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CCc2cc(F)ccc2C1 ZINC001161509170 772237014 /nfs/dbraw/zinc/23/70/14/772237014.db2.gz IJNWZNAUHWVLCT-YOEHRIQHSA-N 1 3 319.380 0.198 20 0 DCADHO O=C([C@@H]1[C@@H](O)CCN1Cc1ccccc1)N1CC[NH2+]C2(CC2)C1 ZINC001161545109 772243157 /nfs/dbraw/zinc/24/31/57/772243157.db2.gz MMWZOPPZXMIMHJ-HOTGVXAUSA-N 1 3 315.417 0.586 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001187921479 772248800 /nfs/dbraw/zinc/24/88/00/772248800.db2.gz JNVXFYWGSBLHJY-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001188139065 772271052 /nfs/dbraw/zinc/27/10/52/772271052.db2.gz GYUNBYKKYVBOFY-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CC[C@H](N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001188985941 772397856 /nfs/dbraw/zinc/39/78/56/772397856.db2.gz XUJZHCSQZOPVLI-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001189026594 772412458 /nfs/dbraw/zinc/41/24/58/772412458.db2.gz QDDRLCALLINJKY-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CCN(CC)CC(=O)N(CC[NH2+]CCO)CCc1ccccc1 ZINC001162959901 772436574 /nfs/dbraw/zinc/43/65/74/772436574.db2.gz FGBIJZONIYYUGT-UHFFFAOYSA-N 1 3 321.465 0.981 20 0 DCADHO c1ncc([C@H]2CN3CCC2CC3)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141185 772470786 /nfs/dbraw/zinc/47/07/86/772470786.db2.gz UGSHXGCDPXJVMH-SJXGUFTOSA-N 1 3 315.421 0.685 20 0 DCADHO CN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC001163821220 772577780 /nfs/dbraw/zinc/57/77/80/772577780.db2.gz LYOUBOWLSJNEBO-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001164536705 772675548 /nfs/dbraw/zinc/67/55/48/772675548.db2.gz WYHRDSKWPBJWKO-AWEZNQCLSA-N 1 3 310.398 0.380 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCOC)C1)N(C)C ZINC001190900321 772687913 /nfs/dbraw/zinc/68/79/13/772687913.db2.gz OKGNFDQXFAIWGU-HUUCEWRRSA-N 1 3 315.458 0.522 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCOC)C1)N(C)C ZINC001190900321 772687915 /nfs/dbraw/zinc/68/79/15/772687915.db2.gz OKGNFDQXFAIWGU-HUUCEWRRSA-N 1 3 315.458 0.522 20 0 DCADHO C[NH+](C)CCCC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001165367142 772729347 /nfs/dbraw/zinc/72/93/47/772729347.db2.gz NTLZHAJHARZVNV-UHFFFAOYSA-N 1 3 311.386 0.051 20 0 DCADHO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165609628 772749567 /nfs/dbraw/zinc/74/95/67/772749567.db2.gz KOAANOWDBLFXBM-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001165616746 772750266 /nfs/dbraw/zinc/75/02/66/772750266.db2.gz ARTIQBCTDMLOLQ-STQMWFEESA-N 1 3 312.458 0.323 20 0 DCADHO Cc1cnc(CNCCCNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001165776916 772761975 /nfs/dbraw/zinc/76/19/75/772761975.db2.gz OJCQBWZBIANFQI-UHFFFAOYSA-N 1 3 305.426 0.723 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001166010870 772778469 /nfs/dbraw/zinc/77/84/69/772778469.db2.gz SNPBSAPIZRMQNT-CHWSQXEVSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCc1ccnn1C ZINC001166626992 772830300 /nfs/dbraw/zinc/83/03/00/772830300.db2.gz NPKCKPBWICKMBR-AWEZNQCLSA-N 1 3 307.442 0.543 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001166627616 772830828 /nfs/dbraw/zinc/83/08/28/772830828.db2.gz XPECCGPJTAOEJC-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627472 772831628 /nfs/dbraw/zinc/83/16/28/772831628.db2.gz WEJJWDTUPTVXHT-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668027 772836956 /nfs/dbraw/zinc/83/69/56/772836956.db2.gz OOJQKGNRFHMISW-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166668027 772836957 /nfs/dbraw/zinc/83/69/57/772836957.db2.gz OOJQKGNRFHMISW-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[N@H+]2CC[C@H](C)C2)nn1C ZINC001166668046 772837041 /nfs/dbraw/zinc/83/70/41/772837041.db2.gz PMHQSRKIJLKIPK-ZDUSSCGKSA-N 1 3 307.442 0.666 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)nn1C ZINC001166668046 772837044 /nfs/dbraw/zinc/83/70/44/772837044.db2.gz PMHQSRKIJLKIPK-ZDUSSCGKSA-N 1 3 307.442 0.666 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001166690794 772841499 /nfs/dbraw/zinc/84/14/99/772841499.db2.gz GAPVZZPPNSYUKK-GXTWGEPZSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001166690794 772841502 /nfs/dbraw/zinc/84/15/02/772841502.db2.gz GAPVZZPPNSYUKK-GXTWGEPZSA-N 1 3 321.425 0.279 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCN(C(C)C)C1=O)N(C)C ZINC001166852400 772871620 /nfs/dbraw/zinc/87/16/20/772871620.db2.gz QPCOTAJTTAXXQD-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO O=C(CN1CCCC1)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001203714255 772920758 /nfs/dbraw/zinc/92/07/58/772920758.db2.gz JYZAQDVSKWNHIC-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CN(CCOCC(F)F)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194000691 773142972 /nfs/dbraw/zinc/14/29/72/773142972.db2.gz CXLDWLHVVXDMSI-QWHCGFSZSA-N 1 3 319.396 0.753 20 0 DCADHO CN(CCOCC(F)F)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194000691 773142974 /nfs/dbraw/zinc/14/29/74/773142974.db2.gz CXLDWLHVVXDMSI-QWHCGFSZSA-N 1 3 319.396 0.753 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687953 773270465 /nfs/dbraw/zinc/27/04/65/773270465.db2.gz KKYJAIHCEDRNFK-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688972 773271413 /nfs/dbraw/zinc/27/14/13/773271413.db2.gz UTEZKSVXBBHANO-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001208279282 773422460 /nfs/dbraw/zinc/42/24/60/773422460.db2.gz MPJJTNOPMYGBKR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001208279282 773422466 /nfs/dbraw/zinc/42/24/66/773422466.db2.gz MPJJTNOPMYGBKR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001208447021 773463997 /nfs/dbraw/zinc/46/39/97/773463997.db2.gz GAIHCBACSYTOCJ-AWEZNQCLSA-N 1 3 322.457 0.589 20 0 DCADHO Cc1cc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001208494210 773478335 /nfs/dbraw/zinc/47/83/35/773478335.db2.gz KZMNFDGCTJVFPD-CZUORRHYSA-N 1 3 321.469 0.888 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208717687 773520141 /nfs/dbraw/zinc/52/01/41/773520141.db2.gz MNLCAZKDCVNISZ-GDBMZVCRSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001209276713 773581049 /nfs/dbraw/zinc/58/10/49/773581049.db2.gz BXISTTMXZFXHAR-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209446745 773605845 /nfs/dbraw/zinc/60/58/45/773605845.db2.gz USYJYWKRJQXFAI-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001210217374 773685964 /nfs/dbraw/zinc/68/59/64/773685964.db2.gz HSOHEPDTARKSRQ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCOCCOC)C1 ZINC001210217701 773686326 /nfs/dbraw/zinc/68/63/26/773686326.db2.gz LNSVMZLKIVMGHT-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001210217628 773686451 /nfs/dbraw/zinc/68/64/51/773686451.db2.gz KIHOXJUTFFKWKG-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)cn1 ZINC001210677422 773730088 /nfs/dbraw/zinc/73/00/88/773730088.db2.gz ODVDLIMZVSIZDA-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001210810629 773741387 /nfs/dbraw/zinc/74/13/87/773741387.db2.gz BHUZZASSJDXNBF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001211282408 773790298 /nfs/dbraw/zinc/79/02/98/773790298.db2.gz AHYVQUOFDZLSGX-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197792649 773801455 /nfs/dbraw/zinc/80/14/55/773801455.db2.gz PJBMXGZZXICYST-LDUWWUQZSA-N 1 3 309.454 0.846 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197792649 773801459 /nfs/dbraw/zinc/80/14/59/773801459.db2.gz PJBMXGZZXICYST-LDUWWUQZSA-N 1 3 309.454 0.846 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001152433173 773892948 /nfs/dbraw/zinc/89/29/48/773892948.db2.gz WKMBENNTIDHQEO-CQSZACIVSA-N 1 3 301.431 0.228 20 0 DCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)N(C)C ZINC001214847849 774018573 /nfs/dbraw/zinc/01/85/73/774018573.db2.gz VIJZUHPRWJDTGZ-HZSPNIEDSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127558 774033205 /nfs/dbraw/zinc/03/32/05/774033205.db2.gz HPZOCRKXANHXCS-OAGGEKHMSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1cncn1C ZINC001215413402 774071235 /nfs/dbraw/zinc/07/12/35/774071235.db2.gz FLWKHUOMZZRGAU-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215462981 774074718 /nfs/dbraw/zinc/07/47/18/774074718.db2.gz DTEOZOJCXYRBKK-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536595 774081812 /nfs/dbraw/zinc/08/18/12/774081812.db2.gz UPZTWLHDQUNSRP-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215543944 774081838 /nfs/dbraw/zinc/08/18/38/774081838.db2.gz FHEKPOICPCRNGK-RRFJBIMHSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001215993975 774097252 /nfs/dbraw/zinc/09/72/52/774097252.db2.gz KJCIHZUXCKJEFV-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001215998890 774098367 /nfs/dbraw/zinc/09/83/67/774098367.db2.gz GWLKUZXZQRECAA-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001216169519 774107242 /nfs/dbraw/zinc/10/72/42/774107242.db2.gz DLWBBRQDSBKSKU-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001216217578 774108742 /nfs/dbraw/zinc/10/87/42/774108742.db2.gz ZTCZANBZBHPODI-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001216217578 774108745 /nfs/dbraw/zinc/10/87/45/774108745.db2.gz ZTCZANBZBHPODI-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754532 774133090 /nfs/dbraw/zinc/13/30/90/774133090.db2.gz ZQEWNKUIFPXAEK-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754532 774133096 /nfs/dbraw/zinc/13/30/96/774133096.db2.gz ZQEWNKUIFPXAEK-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001216852250 774143131 /nfs/dbraw/zinc/14/31/31/774143131.db2.gz SUTPRASOOZOEAO-HZSPNIEDSA-N 1 3 312.458 0.240 20 0 DCADHO COc1ccc2nc(NC(=O)[C@H](N)C3CC[NH2+]CC3)nnc2c1 ZINC001218512304 774233495 /nfs/dbraw/zinc/23/34/95/774233495.db2.gz IOTDUXDXGXRAFO-CYBMUJFWSA-N 1 3 316.365 0.299 20 0 DCADHO COC(=O)Cn1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cn1 ZINC001218610424 774261876 /nfs/dbraw/zinc/26/18/76/774261876.db2.gz OQHWICHYARAHBS-LBPRGKRZSA-N 1 3 311.386 0.054 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccnc1OC1COC1 ZINC001218618147 774265182 /nfs/dbraw/zinc/26/51/82/774265182.db2.gz ODBRSXHBGSOCKW-ZDUSSCGKSA-N 1 3 322.409 0.857 20 0 DCADHO COc1ccc(Br)c(NC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001218656982 774274548 /nfs/dbraw/zinc/27/45/48/774274548.db2.gz VOEILPJEBINRJU-QMMMGPOBSA-N 1 3 317.187 0.857 20 0 DCADHO Nc1cccnc1N(C(=O)C1(N)CC(F)C1)C1CC[NH2+]CC1 ZINC001218694808 774281555 /nfs/dbraw/zinc/28/15/55/774281555.db2.gz DRANFWDKSCCIQP-UHFFFAOYSA-N 1 3 307.373 0.578 20 0 DCADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CNC[C@H](F)C1 ZINC001218725939 774289354 /nfs/dbraw/zinc/28/93/54/774289354.db2.gz BXLKDSOGBPGIHJ-DMDPSCGWSA-N 1 3 308.357 0.708 20 0 DCADHO CCc1cc2ncc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cn2n1 ZINC001218735692 774291331 /nfs/dbraw/zinc/29/13/31/774291331.db2.gz GISVZSAIASNSAB-CQSZACIVSA-N 1 3 302.382 0.557 20 0 DCADHO Cc1cnn(Cc2ccccn2)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218741468 774293339 /nfs/dbraw/zinc/29/33/39/774293339.db2.gz OXRBJGCERVKLQC-ZDUSSCGKSA-N 1 3 302.382 0.640 20 0 DCADHO CC1(C)COc2cc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)nn2C1 ZINC001218746744 774295479 /nfs/dbraw/zinc/29/54/79/774295479.db2.gz OOFSXEHOXDNFID-ZDUSSCGKSA-N 1 3 307.398 0.567 20 0 DCADHO Cc1cc(NC(=O)[C@@H](N)CCC[NH3+])n(CC2CCOCC2)n1 ZINC001218750081 774297003 /nfs/dbraw/zinc/29/70/03/774297003.db2.gz OYSJYFRTNYXZBR-ZDUSSCGKSA-N 1 3 309.414 0.623 20 0 DCADHO N[C@@H](C(=O)Nc1cncnc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218765105 774299866 /nfs/dbraw/zinc/29/98/66/774299866.db2.gz WVTMEZWTYBBTOS-SECBINFHSA-N 1 3 303.288 0.761 20 0 DCADHO Cn1nnc2cc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)ccc21 ZINC001218877417 774319027 /nfs/dbraw/zinc/31/90/27/774319027.db2.gz IKSIDFKUFCWVFX-MEBBXXQBSA-N 1 3 300.366 0.106 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCF)C1)C1CC1 ZINC001200687395 774389909 /nfs/dbraw/zinc/38/99/09/774389909.db2.gz ALKBTVNIEBUJON-LSDHHAIUSA-N 1 3 315.433 0.893 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037304 774442521 /nfs/dbraw/zinc/44/25/21/774442521.db2.gz HHRNIHNUQKCSMC-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052992 774445356 /nfs/dbraw/zinc/44/53/56/774445356.db2.gz IROFYTZIGXHOHX-MRXNPFEDSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201149954 774454984 /nfs/dbraw/zinc/45/49/84/774454984.db2.gz QKPLUGUPDLVSSU-OCCSQVGLSA-N 1 3 312.458 0.288 20 0 DCADHO O=C(Nc1c(F)cccc1OC1COC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219382406 774472264 /nfs/dbraw/zinc/47/22/64/774472264.db2.gz PUHOQUKMAHDYND-NSHDSACASA-N 1 3 321.352 0.351 20 0 DCADHO CC(C)C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001201470645 774515823 /nfs/dbraw/zinc/51/58/23/774515823.db2.gz KLALTPAGXYAPMN-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO O=C(C[C@H]1CNCCO1)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219537346 774528711 /nfs/dbraw/zinc/52/87/11/774528711.db2.gz LJCPKBNZSMQDQJ-COPLHBTASA-N 1 3 303.362 0.451 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703828 774585733 /nfs/dbraw/zinc/58/57/33/774585733.db2.gz QPVNLGSKPFYUQF-CQSZACIVSA-N 1 3 305.378 0.229 20 0 DCADHO Cc1cc(C)cc(OC[C@H](C)NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219711349 774587645 /nfs/dbraw/zinc/58/76/45/774587645.db2.gz CETFLNSDYAPPKX-HOCLYGCPSA-N 1 3 317.433 0.996 20 0 DCADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714706 774588798 /nfs/dbraw/zinc/58/87/98/774588798.db2.gz VBDFPEQPSDUIOH-RBSFLKMASA-N 1 3 305.422 0.303 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001219724447 774591787 /nfs/dbraw/zinc/59/17/87/774591787.db2.gz LOZFKSJBILONED-KFWWJZLASA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219724447 774591789 /nfs/dbraw/zinc/59/17/89/774591789.db2.gz LOZFKSJBILONED-KFWWJZLASA-N 1 3 315.433 0.628 20 0 DCADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1csc2c1CCNC2 ZINC001219803427 774613634 /nfs/dbraw/zinc/61/36/34/774613634.db2.gz UBJJVWHCSAQMCB-NSHDSACASA-N 1 3 321.446 0.892 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)c(C)c1 ZINC001219831443 774622848 /nfs/dbraw/zinc/62/28/48/774622848.db2.gz KZMUJIBIMPSKJC-NCOADZHNSA-N 1 3 317.433 0.666 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854695 774629523 /nfs/dbraw/zinc/62/95/23/774629523.db2.gz QIRVMLYHAIQSNE-FXUDXRNXSA-N 1 3 319.405 0.024 20 0 DCADHO Cc1nnsc1CNC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202330876 774637001 /nfs/dbraw/zinc/63/70/01/774637001.db2.gz KDGRCTJUTFYTEA-UHFFFAOYSA-N 1 3 311.455 0.879 20 0 DCADHO COc1cc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)cc(OC)c1 ZINC001219907745 774643356 /nfs/dbraw/zinc/64/33/56/774643356.db2.gz BZQACTXNTGILRK-OAHLLOKOSA-N 1 3 319.405 0.172 20 0 DCADHO NC(=O)c1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001219961429 774657342 /nfs/dbraw/zinc/65/73/42/774657342.db2.gz KJTKVOPQSPFYCE-AWEZNQCLSA-N 1 3 316.405 0.276 20 0 DCADHO NC(=O)c1ccc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001219961429 774657347 /nfs/dbraw/zinc/65/73/47/774657347.db2.gz KJTKVOPQSPFYCE-AWEZNQCLSA-N 1 3 316.405 0.276 20 0 DCADHO N[C@@H](C(=O)NCC(=O)N1CCc2ccccc21)C1CC[NH2+]CC1 ZINC001219978761 774660045 /nfs/dbraw/zinc/66/00/45/774660045.db2.gz SFQGWCLBBWNCBD-MRXNPFEDSA-N 1 3 316.405 0.019 20 0 DCADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1[NH2+]CC[C@H]1O ZINC001219998747 774664848 /nfs/dbraw/zinc/66/48/48/774664848.db2.gz AKZIVJTVDUZWTM-XHSDSOJGSA-N 1 3 303.406 0.663 20 0 DCADHO CCOC(=O)Cc1ccc(CNC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001220009277 774668839 /nfs/dbraw/zinc/66/88/39/774668839.db2.gz FSFVTRRECZAFGN-AWEZNQCLSA-N 1 3 307.394 0.475 20 0 DCADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001220317331 774770204 /nfs/dbraw/zinc/77/02/04/774770204.db2.gz XYTVDVCTPZLCGH-WTTBNOFXSA-N 1 3 323.437 0.172 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)NCCOCCOCC[NH3+])c(C)c1 ZINC001220519102 774832803 /nfs/dbraw/zinc/83/28/03/774832803.db2.gz BDUCZLYJLNXPKS-INIZCTEOSA-N 1 3 323.437 0.281 20 0 DCADHO NC[C@H](N)C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001220542376 774841532 /nfs/dbraw/zinc/84/15/32/774841532.db2.gz UATBEZKOQGWZKW-LMNGEROHSA-N 1 3 316.449 0.927 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414165 774851069 /nfs/dbraw/zinc/85/10/69/774851069.db2.gz NOWHKMHRKLHEPM-MKVSYHDVSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414165 774851080 /nfs/dbraw/zinc/85/10/80/774851080.db2.gz NOWHKMHRKLHEPM-MKVSYHDVSA-N 1 3 309.454 0.678 20 0 DCADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(F)(F)F ZINC001220587321 774853909 /nfs/dbraw/zinc/85/39/09/774853909.db2.gz AEKXUJXGSXDBOK-DTWKUNHWSA-N 1 3 323.315 0.081 20 0 DCADHO COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C(F)(F)F ZINC001220587321 774853919 /nfs/dbraw/zinc/85/39/19/774853919.db2.gz AEKXUJXGSXDBOK-DTWKUNHWSA-N 1 3 323.315 0.081 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001114488869 774899181 /nfs/dbraw/zinc/89/91/81/774899181.db2.gz UQEKKJDFZFHENE-WDNDVIMCSA-N 1 3 320.441 0.055 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001114488869 774899186 /nfs/dbraw/zinc/89/91/86/774899186.db2.gz UQEKKJDFZFHENE-WDNDVIMCSA-N 1 3 320.441 0.055 20 0 DCADHO C[C@@](CO)(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001220712295 774899446 /nfs/dbraw/zinc/89/94/46/774899446.db2.gz YSBWRDOTZOSYDQ-WBVHZDCISA-N 1 3 317.433 0.885 20 0 DCADHO C[C@@](CO)(NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001220712295 774899454 /nfs/dbraw/zinc/89/94/54/774899454.db2.gz YSBWRDOTZOSYDQ-WBVHZDCISA-N 1 3 317.433 0.885 20 0 DCADHO COC(=O)C[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CCCCC1 ZINC001220730316 774904250 /nfs/dbraw/zinc/90/42/50/774904250.db2.gz VFBPGCXRESRPQN-ZIAGYGMSSA-N 1 3 323.437 0.424 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1CN(c2ccccc2)CCO1 ZINC001220737035 774905478 /nfs/dbraw/zinc/90/54/78/774905478.db2.gz ZSDCEMWJOZLZSK-HOTGVXAUSA-N 1 3 320.437 0.464 20 0 DCADHO C[C@H](CNC(=O)[C@H](N)CCCNC(N)=O)CC(C)(C)CC[NH3+] ZINC001220763902 774909874 /nfs/dbraw/zinc/90/98/74/774909874.db2.gz RWYLWGZMKFNQDX-NWDGAFQWSA-N 1 3 315.462 0.280 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220777698 774913315 /nfs/dbraw/zinc/91/33/15/774913315.db2.gz ZZONITUSTNXEQV-CLROSIBMSA-N 1 3 324.469 0.785 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220780731 774913675 /nfs/dbraw/zinc/91/36/75/774913675.db2.gz JVFTTYGKHIMUQF-YUDUHTQSSA-N 1 3 310.442 0.396 20 0 DCADHO N[C@H](C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C1CCOCC1 ZINC001220791309 774916109 /nfs/dbraw/zinc/91/61/09/774916109.db2.gz XQCAETITXMQBRU-JYJNAYRXSA-N 1 3 318.421 0.602 20 0 DCADHO CCOC(=O)[C@H](CNC(=O)[C@@H](N)CCC[NH3+])c1ccccc1 ZINC001220876101 774941100 /nfs/dbraw/zinc/94/11/00/774941100.db2.gz DESJAWLVUTZKIA-KGLIPLIRSA-N 1 3 307.394 0.516 20 0 DCADHO COc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])CN2)C1 ZINC001220928267 774955295 /nfs/dbraw/zinc/95/52/95/774955295.db2.gz JKTFLYFPQRNJPK-KKUMJFAQSA-N 1 3 318.421 0.075 20 0 DCADHO COc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)C1 ZINC001220928267 774955298 /nfs/dbraw/zinc/95/52/98/774955298.db2.gz JKTFLYFPQRNJPK-KKUMJFAQSA-N 1 3 318.421 0.075 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937573 774957319 /nfs/dbraw/zinc/95/73/19/774957319.db2.gz VGGLMGOIDJOPGY-CVEARBPZSA-N 1 3 305.422 0.831 20 0 DCADHO Cc1cc2c(cn1)[C@@H](NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001220960472 774962789 /nfs/dbraw/zinc/96/27/89/774962789.db2.gz PJOBHVSJSJGPSJ-UKPHBRMFSA-N 1 3 300.406 0.693 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972715 774966012 /nfs/dbraw/zinc/96/60/12/774966012.db2.gz JXTAVCWZLIEVMF-YEJXKQKISA-N 1 3 315.483 0.592 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NCC1(Cc2ccncc2)CCOCC1 ZINC001220996863 774974145 /nfs/dbraw/zinc/97/41/45/774974145.db2.gz MDKDSIXTOVNRTP-HNNXBMFYSA-N 1 3 320.437 0.603 20 0 DCADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221016651 774979408 /nfs/dbraw/zinc/97/94/08/774979408.db2.gz YLMUICFWXNFLAA-CYBMUJFWSA-N 1 3 308.382 0.047 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202669114 774985138 /nfs/dbraw/zinc/98/51/38/774985138.db2.gz YBZRSLIJJFBHRW-GFCCVEGCSA-N 1 3 321.425 0.448 20 0 DCADHO [NH3+][C@@H](CC(F)F)C(=O)N[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001221056220 774986650 /nfs/dbraw/zinc/98/66/50/774986650.db2.gz JZLOHTDAGLDPTN-SRVKXCTJSA-N 1 3 305.369 0.729 20 0 DCADHO NC(C(=O)NCC1(c2ccccn2)CC[NH2+]CC1)C(F)(F)F ZINC001221114345 774999470 /nfs/dbraw/zinc/99/94/70/774999470.db2.gz WIOGAPNTZFVBFP-LLVKDONJSA-N 1 3 316.327 0.709 20 0 DCADHO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221391973 775083102 /nfs/dbraw/zinc/08/31/02/775083102.db2.gz QCDYLEZZLMTBSE-WBMJQRKESA-N 1 3 304.438 0.943 20 0 DCADHO C[NH+](C)CCOCC(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001221947098 775233692 /nfs/dbraw/zinc/23/36/92/775233692.db2.gz RMHVRJOOUNNXHQ-ZIAGYGMSSA-N 1 3 301.406 0.457 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC001224338597 775560789 /nfs/dbraw/zinc/56/07/89/775560789.db2.gz WTHOXNUCHCRTFX-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCOCCN1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408452 775971242 /nfs/dbraw/zinc/97/12/42/775971242.db2.gz MPKYUKROVSLGGO-MRXNPFEDSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC)N(C)C ZINC001228660622 776109692 /nfs/dbraw/zinc/10/96/92/776109692.db2.gz GSKQNTHVBPWLTI-TUVASFSCSA-N 1 3 315.458 0.351 20 0 DCADHO CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)cn1 ZINC001114778003 776115129 /nfs/dbraw/zinc/11/51/29/776115129.db2.gz CRFNGBFCPPXPLH-QLPKVWCKSA-N 1 3 319.453 0.444 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001229232114 776172117 /nfs/dbraw/zinc/17/21/17/776172117.db2.gz XZVJACFKGRBHQB-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CC)CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001229678368 776211922 /nfs/dbraw/zinc/21/19/22/776211922.db2.gz BLNBOLVFOYFIBZ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CCCN(C)CC(=O)NC1CC[NH+](CCOCCOC)CC1 ZINC001230113114 776255362 /nfs/dbraw/zinc/25/53/62/776255362.db2.gz RYNACBZTYBWRTR-UHFFFAOYSA-N 1 3 315.458 0.572 20 0 DCADHO CC[NH+]1CCC(CN2CCn3c(nnc3C(N)=O)C[C@@H]2C)CC1 ZINC001278133587 945149672 /nfs/dbraw/zinc/14/96/72/945149672.db2.gz FTMVOEGCFLMWIL-LBPRGKRZSA-N 1 3 320.441 0.356 20 0 DCADHO O=C(NC[C@H](NCCCO)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001317726887 945171916 /nfs/dbraw/zinc/17/19/16/945171916.db2.gz FOKDPUKGQJHMHP-INIZCTEOSA-N 1 3 317.433 0.912 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001417277502 939168388 /nfs/dbraw/zinc/16/83/88/939168388.db2.gz BVXCLGISDZPIOK-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001417277502 939168389 /nfs/dbraw/zinc/16/83/89/939168389.db2.gz BVXCLGISDZPIOK-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CC(C)(C(=O)NCCC[C@@H]1CCCN1CC(N)=O)[NH+]1CCCC1 ZINC001267171903 939370870 /nfs/dbraw/zinc/37/08/70/939370870.db2.gz QOLPHULEBWQYHG-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481231671 939655267 /nfs/dbraw/zinc/65/52/67/939655267.db2.gz LEPWUDQZQWMQDH-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481231671 939655269 /nfs/dbraw/zinc/65/52/69/939655269.db2.gz LEPWUDQZQWMQDH-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2cnn(C)c2)CC[N@@H+]1C ZINC001481271978 939689342 /nfs/dbraw/zinc/68/93/42/939689342.db2.gz NPDHWQKXJNRRHU-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2cnn(C)c2)CC[N@H+]1C ZINC001481271978 939689343 /nfs/dbraw/zinc/68/93/43/939689343.db2.gz NPDHWQKXJNRRHU-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CCC1CCCC1 ZINC001268333327 940065772 /nfs/dbraw/zinc/06/57/72/940065772.db2.gz SINRSYRCCHQNKP-CQSZACIVSA-N 1 3 308.426 0.908 20 0 DCADHO CCOCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481728049 940092026 /nfs/dbraw/zinc/09/20/26/940092026.db2.gz KYSWGPDVCHBPOV-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001481874330 940168065 /nfs/dbraw/zinc/16/80/65/940168065.db2.gz GFIIKGSACKCJDL-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001481874330 940168067 /nfs/dbraw/zinc/16/80/67/940168067.db2.gz GFIIKGSACKCJDL-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC[NH2+]CCn1cccn1)C(=O)CN1CC[C@H](C)C1 ZINC001268479645 940176652 /nfs/dbraw/zinc/17/66/52/940176652.db2.gz OVQIBMUGTQRDAN-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H]2CCN(C)C2=O)CCCC1)N(C)C ZINC001481900246 940176710 /nfs/dbraw/zinc/17/67/10/940176710.db2.gz RTIMSPFVBNRTFP-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCNCC(=O)NCC1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268496959 940193937 /nfs/dbraw/zinc/19/39/37/940193937.db2.gz BJMQAOWNZCBVFF-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(CCNCC(=O)NCC1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268496959 940193940 /nfs/dbraw/zinc/19/39/40/940193940.db2.gz BJMQAOWNZCBVFF-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@H](O)COc1ccc(CCO)cc1 ZINC001245986290 945307380 /nfs/dbraw/zinc/30/73/80/945307380.db2.gz XHZAIOJKVBOGGA-UAGQMJEPSA-N 1 3 322.449 0.939 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001268590466 940271994 /nfs/dbraw/zinc/27/19/94/940271994.db2.gz GVMOKRFCSOLHGQ-HLMASZERSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001268590466 940271997 /nfs/dbraw/zinc/27/19/97/940271997.db2.gz GVMOKRFCSOLHGQ-HLMASZERSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001268624693 940306109 /nfs/dbraw/zinc/30/61/09/940306109.db2.gz FOKNBYBBBYUNOF-LAYDCRAFSA-N 1 3 324.469 0.503 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001268624693 940306114 /nfs/dbraw/zinc/30/61/14/940306114.db2.gz FOKNBYBBBYUNOF-LAYDCRAFSA-N 1 3 324.469 0.503 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001268624691 940306342 /nfs/dbraw/zinc/30/63/42/940306342.db2.gz FOKNBYBBBYUNOF-HYLRALAJSA-N 1 3 324.469 0.503 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001268624691 940306346 /nfs/dbraw/zinc/30/63/46/940306346.db2.gz FOKNBYBBBYUNOF-HYLRALAJSA-N 1 3 324.469 0.503 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@H](C)C(=O)N(C)C ZINC001268958930 940418465 /nfs/dbraw/zinc/41/84/65/940418465.db2.gz RGBZMKWEGQFYQV-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001482238292 940758299 /nfs/dbraw/zinc/75/82/99/940758299.db2.gz NACUXCTYVRTQOK-UHFFFAOYSA-N 1 3 324.469 0.627 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCN1CCCC1=O ZINC001270420450 940898326 /nfs/dbraw/zinc/89/83/26/940898326.db2.gz UAZLDQIZVSHXDH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482354132 941017524 /nfs/dbraw/zinc/01/75/24/941017524.db2.gz OCMOPRAOASHATC-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482354132 941017529 /nfs/dbraw/zinc/01/75/29/941017529.db2.gz OCMOPRAOASHATC-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nnc(CN[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001482427587 941217348 /nfs/dbraw/zinc/21/73/48/941217348.db2.gz BXMRCLPEDAFUSD-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO C[C@@H](C(=O)N1CCCC2(CN(CC[NH+](C)C)C2)C1)N1CCCC1 ZINC001271214260 941324292 /nfs/dbraw/zinc/32/42/92/941324292.db2.gz PPXNUKWEIWHTQI-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)N2CCC2)C1 ZINC001482660987 941612876 /nfs/dbraw/zinc/61/28/76/941612876.db2.gz BWXDVAQKXLOTTJ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N(CCO)CCNCCF ZINC001272182755 941776503 /nfs/dbraw/zinc/77/65/03/941776503.db2.gz UUCCWEZKPRQOGL-HNNXBMFYSA-N 1 3 315.433 0.773 20 0 DCADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N(CCO)CCNCCF ZINC001272182755 941776504 /nfs/dbraw/zinc/77/65/04/941776504.db2.gz UUCCWEZKPRQOGL-HNNXBMFYSA-N 1 3 315.433 0.773 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001409432513 941997410 /nfs/dbraw/zinc/99/74/10/941997410.db2.gz MAIFNNXWUDWVBL-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001413032880 942218251 /nfs/dbraw/zinc/21/82/51/942218251.db2.gz UKJHDSLSHPCFKS-RDJZCZTQSA-N 1 3 311.470 0.486 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001413032880 942218256 /nfs/dbraw/zinc/21/82/56/942218256.db2.gz UKJHDSLSHPCFKS-RDJZCZTQSA-N 1 3 311.470 0.486 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483271222 942224140 /nfs/dbraw/zinc/22/41/40/942224140.db2.gz QAZQAXYPUXIWJS-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC(N)=O)N1CCCC1 ZINC001483439486 942360533 /nfs/dbraw/zinc/36/05/33/942360533.db2.gz UOYBALVPKFZSMB-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001483607404 942460048 /nfs/dbraw/zinc/46/00/48/942460048.db2.gz KZMRLZFTDCOIJZ-LSDHHAIUSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(=O)NC ZINC001483617000 942467953 /nfs/dbraw/zinc/46/79/53/942467953.db2.gz VMNOPRAIYPIWHG-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CC1)C2 ZINC001272307714 942679614 /nfs/dbraw/zinc/67/96/14/942679614.db2.gz AZEKVUFCEFDNTL-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CC1)C2 ZINC001272307714 942679618 /nfs/dbraw/zinc/67/96/18/942679618.db2.gz AZEKVUFCEFDNTL-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001272436918 942755975 /nfs/dbraw/zinc/75/59/75/942755975.db2.gz CZIRRCIZWIJBRW-QGZVFWFLSA-N 1 3 308.470 0.711 20 0 DCADHO CC[N@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001272436918 942755978 /nfs/dbraw/zinc/75/59/78/942755978.db2.gz CZIRRCIZWIJBRW-QGZVFWFLSA-N 1 3 308.470 0.711 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001483955185 943053151 /nfs/dbraw/zinc/05/31/51/943053151.db2.gz BBQVJOMFWXPPKX-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001484000054 943075768 /nfs/dbraw/zinc/07/57/68/943075768.db2.gz AAMBUADAWIMMEO-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001484000054 943075778 /nfs/dbraw/zinc/07/57/78/943075778.db2.gz AAMBUADAWIMMEO-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001484006520 943077981 /nfs/dbraw/zinc/07/79/81/943077981.db2.gz HRIVROQOEVSBQB-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CCC[C@H](C)O)C1 ZINC001484699907 943521251 /nfs/dbraw/zinc/52/12/51/943521251.db2.gz IIQORTSGJNDMPA-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCO1 ZINC001484695762 943527594 /nfs/dbraw/zinc/52/75/94/943527594.db2.gz IGFDUUAUPWDUAI-UONOGXRCSA-N 1 3 301.431 0.036 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1)C1CCC1 ZINC001490896932 943584764 /nfs/dbraw/zinc/58/47/64/943584764.db2.gz BAEGRLMPECHKRS-HDJSIYSDSA-N 1 3 322.453 0.330 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484816330 943586922 /nfs/dbraw/zinc/58/69/22/943586922.db2.gz IJJADIFUIAFKAD-UHFFFAOYSA-N 1 3 307.398 0.059 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@](CO)([NH2+]CCC2CC2)C1 ZINC001484850236 943597119 /nfs/dbraw/zinc/59/71/19/943597119.db2.gz CSZIFHSJMBHMCA-INIZCTEOSA-N 1 3 306.410 0.695 20 0 DCADHO CCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485165053 943732955 /nfs/dbraw/zinc/73/29/55/943732955.db2.gz FBTCJAIYDNSZBP-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001485188677 943745975 /nfs/dbraw/zinc/74/59/75/943745975.db2.gz DRMRJXFUQIYGKM-CHWSQXEVSA-N 1 3 320.437 0.372 20 0 DCADHO C[C@H](NCc1n[nH]c(C2CC2)n1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485191380 943746886 /nfs/dbraw/zinc/74/68/86/943746886.db2.gz UTXIMRXWAYRZLO-QWRGUYRKSA-N 1 3 308.430 0.617 20 0 DCADHO CC[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC001276492781 944190605 /nfs/dbraw/zinc/19/06/05/944190605.db2.gz YZSHBVHUSUIUBU-CALCHBBNSA-N 1 3 322.497 0.955 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCCN(C)C1 ZINC001276497280 944192877 /nfs/dbraw/zinc/19/28/77/944192877.db2.gz UTVRNLQUKKIRST-JYJNAYRXSA-N 1 3 308.470 0.565 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@H+]2C[C@H]1CCCN(C)C1 ZINC001276497280 944192878 /nfs/dbraw/zinc/19/28/78/944192878.db2.gz UTVRNLQUKKIRST-JYJNAYRXSA-N 1 3 308.470 0.565 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[N@H+](C)C1 ZINC001276497280 944192879 /nfs/dbraw/zinc/19/28/79/944192879.db2.gz UTVRNLQUKKIRST-JYJNAYRXSA-N 1 3 308.470 0.565 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001276497280 944192880 /nfs/dbraw/zinc/19/28/80/944192880.db2.gz UTVRNLQUKKIRST-JYJNAYRXSA-N 1 3 308.470 0.565 20 0 DCADHO COC(CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1)OC ZINC001272862120 944284816 /nfs/dbraw/zinc/28/48/16/944284816.db2.gz RUSGLDPDVOOQIO-ZDUSSCGKSA-N 1 3 313.442 0.385 20 0 DCADHO C[C@@H]([NH2+]CCCO)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001276779048 944296883 /nfs/dbraw/zinc/29/68/83/944296883.db2.gz PVDOEJYUNHKRSF-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001485894965 944389909 /nfs/dbraw/zinc/38/99/09/944389909.db2.gz IKQBBVITFRRKPQ-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2ccccc2)CC[N@@H+]1C ZINC001485995541 944469349 /nfs/dbraw/zinc/46/93/49/944469349.db2.gz IXAPTWSOGHEVRZ-FVQBIDKESA-N 1 3 305.422 0.594 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2ccccc2)CC[N@H+]1C ZINC001485995541 944469355 /nfs/dbraw/zinc/46/93/55/944469355.db2.gz IXAPTWSOGHEVRZ-FVQBIDKESA-N 1 3 305.422 0.594 20 0 DCADHO CN(C)C(=O)CNC12CC(C(=O)N3CCC([NH+](C)C)CC3)(C1)C2 ZINC001277337854 944769497 /nfs/dbraw/zinc/76/94/97/944769497.db2.gz POULODDXATYXLQ-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+]1CCC(NC(=O)C23CC(NCc4cncnc4)(C2)C3)CC1 ZINC001277446498 944821840 /nfs/dbraw/zinc/82/18/40/944821840.db2.gz UVVTVGZVXJLVCU-UHFFFAOYSA-N 1 3 315.421 0.699 20 0 DCADHO C[NH+]1CCC(CN2CC[C@@H]3C[C@@]32C(=O)NCc2c[nH]cn2)CC1 ZINC001277797147 944981307 /nfs/dbraw/zinc/98/13/07/944981307.db2.gz PNHZSLCAQYOESU-PBHICJAKSA-N 1 3 317.437 0.832 20 0 DCADHO COC(=O)CCN1CCC[C@]2(C1)CN(CC[NH+](C)C)CCO2 ZINC001277871611 945016461 /nfs/dbraw/zinc/01/64/61/945016461.db2.gz MJJXKXQGEWPBBZ-INIZCTEOSA-N 1 3 313.442 0.278 20 0 DCADHO COC(=O)[C@H]1C[C@@H](NCc2cccc(N3CC[NH2+]CC3)c2)CN1 ZINC001246339642 945389079 /nfs/dbraw/zinc/38/90/79/945389079.db2.gz AJTFWXHRXLEHNI-GDBMZVCRSA-N 1 3 318.421 0.089 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](NC2(CCOC)CC[NH2+]CC2)CN1 ZINC001246388957 945402307 /nfs/dbraw/zinc/40/23/07/945402307.db2.gz HVIMKLWGFDAJFS-KBPBESRZSA-N 1 3 313.442 0.418 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(CCOC)CCNCC2)CN1 ZINC001246388957 945402313 /nfs/dbraw/zinc/40/23/13/945402313.db2.gz HVIMKLWGFDAJFS-KBPBESRZSA-N 1 3 313.442 0.418 20 0 DCADHO c1cc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)nc(OCC2CC2)n1 ZINC001246433900 945409206 /nfs/dbraw/zinc/40/92/06/945409206.db2.gz KTYCCDCRNPVKHG-CYBMUJFWSA-N 1 3 303.410 0.449 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H](N)[C@@H](F)CC2)C[C@@H]1C(=O)OC ZINC001246566248 945432364 /nfs/dbraw/zinc/43/23/64/945432364.db2.gz FIUWGPJHEJAMHN-WJTVCTBASA-N 1 3 316.373 0.488 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H](N)[C@@H](F)CC2)C[C@@H]1C(=O)OC ZINC001246566248 945432371 /nfs/dbraw/zinc/43/23/71/945432371.db2.gz FIUWGPJHEJAMHN-WJTVCTBASA-N 1 3 316.373 0.488 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246627763 945447149 /nfs/dbraw/zinc/44/71/49/945447149.db2.gz XGARKXNOYRENGA-PMPSAXMXSA-N 1 3 303.406 0.927 20 0 DCADHO Cc1ccnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246834694 945502533 /nfs/dbraw/zinc/50/25/33/945502533.db2.gz IVCRIDVLLFWROY-OAHLLOKOSA-N 1 3 301.438 0.606 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)CNCCO4)C[C@H](C1)N2 ZINC001246983615 945536248 /nfs/dbraw/zinc/53/62/48/945536248.db2.gz CSKPXKZOTGSOHI-OBZZQFPASA-N 1 3 323.437 0.123 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)CNCCO4)C[C@H](C1)N2 ZINC001246983615 945536249 /nfs/dbraw/zinc/53/62/49/945536249.db2.gz CSKPXKZOTGSOHI-OBZZQFPASA-N 1 3 323.437 0.123 20 0 DCADHO COc1nccc(-c2noc(C34CNCC3C[NH2+]C4)n2)c1F ZINC001247851911 945579918 /nfs/dbraw/zinc/57/99/18/945579918.db2.gz PBUTURCAMAFFJE-UHFFFAOYSA-N 1 3 305.313 0.340 20 0 DCADHO COc1cc(F)cc(-c2noc(C34CNCC3C[NH2+]C4)n2)c1 ZINC001247852449 945580033 /nfs/dbraw/zinc/58/00/33/945580033.db2.gz UAZZNOAPOBKILY-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO c1cc(-c2noc(C[C@@H]3CNCCO3)n2)nc2c1C[NH2+]CC2 ZINC001248351624 945598616 /nfs/dbraw/zinc/59/86/16/945598616.db2.gz FBQLIUKYRDVTAM-LLVKDONJSA-N 1 3 301.350 0.308 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)[C@H](C)C1 ZINC001319712136 945652561 /nfs/dbraw/zinc/65/25/61/945652561.db2.gz QFJNADDPMZKYSA-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@H](C)C1 ZINC001319712134 945652725 /nfs/dbraw/zinc/65/27/25/945652725.db2.gz QFJNADDPMZKYSA-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CCCCN1CCC([N@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC001251024823 945710578 /nfs/dbraw/zinc/71/05/78/945710578.db2.gz XLFSPXQEMSZWJP-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO CCCCN1CCC([N@@H+](C)C[C@H](O)CN2CCOCC2)CC1 ZINC001251024823 945710585 /nfs/dbraw/zinc/71/05/85/945710585.db2.gz XLFSPXQEMSZWJP-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO O[C@@]1(CNCCn2cnnc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252946065 946038256 /nfs/dbraw/zinc/03/82/56/946038256.db2.gz MXWLMGPWVWCVMN-MRXNPFEDSA-N 1 3 301.394 0.505 20 0 DCADHO O[C@@]1(CNCCn2cnnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946065 946038269 /nfs/dbraw/zinc/03/82/69/946038269.db2.gz MXWLMGPWVWCVMN-MRXNPFEDSA-N 1 3 301.394 0.505 20 0 DCADHO CCN1CC[C@@]2(CN(C[C@@H](O)C[NH+](CC)CC)C[C@@H]2C)C1=O ZINC001253185224 946089094 /nfs/dbraw/zinc/08/90/94/946089094.db2.gz OSXVVTKGDQJTGQ-ZOBUZTSGSA-N 1 3 311.470 0.879 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)C ZINC001410265824 946117361 /nfs/dbraw/zinc/11/73/61/946117361.db2.gz DAKJBFAONDCNOY-OLZOCXBDSA-N 1 3 321.425 0.270 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001321281407 946249973 /nfs/dbraw/zinc/24/99/73/946249973.db2.gz QFGJCGOWYVIUBD-VBROQKIQSA-N 1 3 324.469 0.457 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H]1CCCN(C)C1=O ZINC001410499196 946489416 /nfs/dbraw/zinc/48/94/16/946489416.db2.gz QQIDYEWPVQTBAS-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)n1 ZINC001321878739 946495872 /nfs/dbraw/zinc/49/58/72/946495872.db2.gz RUQGGUBJSVVKPT-WFASDCNBSA-N 1 3 324.473 0.575 20 0 DCADHO CN1CC[C@@H](N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001255430289 946499565 /nfs/dbraw/zinc/49/95/65/946499565.db2.gz GLXPWRGUPZTOLQ-XUWVNRHRSA-N 1 3 317.437 0.612 20 0 DCADHO C[N@@H+]1CC[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001255427577 946499965 /nfs/dbraw/zinc/49/99/65/946499965.db2.gz KGIOZBZZIAFZAO-LBPRGKRZSA-N 1 3 301.394 0.417 20 0 DCADHO C[N@H+]1CC[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001255427577 946499972 /nfs/dbraw/zinc/49/99/72/946499972.db2.gz KGIOZBZZIAFZAO-LBPRGKRZSA-N 1 3 301.394 0.417 20 0 DCADHO CN1CC[C@@H](N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001255431505 946505999 /nfs/dbraw/zinc/50/59/99/946505999.db2.gz KNTSYJBFVFENRH-GFCCVEGCSA-N 1 3 321.425 0.028 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(=O)N(C)C ZINC001410521921 946511740 /nfs/dbraw/zinc/51/17/40/946511740.db2.gz SEYWHPLHGOEBJC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO [NH3+]CCCN1CCN(C2CCN(c3ncccn3)CC2)CC1 ZINC001256050661 946581558 /nfs/dbraw/zinc/58/15/58/946581558.db2.gz PTJNPDJBPKXQOU-UHFFFAOYSA-N 1 3 304.442 0.412 20 0 DCADHO CC[NH+]1C[C@@H]2CN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001257243128 946721628 /nfs/dbraw/zinc/72/16/28/946721628.db2.gz MMWZUVDCYFNBHA-CHWSQXEVSA-N 1 3 301.456 0.294 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001410892596 947093278 /nfs/dbraw/zinc/09/32/78/947093278.db2.gz AUCZRUVZMSWMSJ-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001410892596 947093285 /nfs/dbraw/zinc/09/32/85/947093285.db2.gz AUCZRUVZMSWMSJ-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001411032590 947253688 /nfs/dbraw/zinc/25/36/88/947253688.db2.gz ZHYSFESMRUVVGC-KBPBESRZSA-N 1 3 315.458 0.161 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC001261634916 947380151 /nfs/dbraw/zinc/38/01/51/947380151.db2.gz QPMDQOHVONCOMD-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CCn3cncn3)C2)CCC1 ZINC001411239718 947529424 /nfs/dbraw/zinc/52/94/24/947529424.db2.gz QWFWNNHOYAZCSI-UHFFFAOYSA-N 1 3 320.441 0.341 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001135975934 947668233 /nfs/dbraw/zinc/66/82/33/947668233.db2.gz FNGSUECASCPGJI-CHWSQXEVSA-N 1 3 300.447 0.289 20 0 DCADHO COCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001325152657 947682853 /nfs/dbraw/zinc/68/28/53/947682853.db2.gz BCDDXQZDRQKKRB-GOEBONIOSA-N 1 3 315.458 0.162 20 0 DCADHO COCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001325152657 947682860 /nfs/dbraw/zinc/68/28/60/947682860.db2.gz BCDDXQZDRQKKRB-GOEBONIOSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179421620 947847369 /nfs/dbraw/zinc/84/73/69/947847369.db2.gz XRGTZSASSFECHP-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001179486081 947850729 /nfs/dbraw/zinc/85/07/29/947850729.db2.gz HGFKYGPGRWRLIQ-SOUVJXGZSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H]([NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001179586452 947870846 /nfs/dbraw/zinc/87/08/46/947870846.db2.gz OWJZKIBVZPPUTM-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001179580691 947877576 /nfs/dbraw/zinc/87/75/76/947877576.db2.gz MMTYZQYEPKGKAP-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2CC23CC[NH+](C)CC3)CC1 ZINC001273517072 947938286 /nfs/dbraw/zinc/93/82/86/947938286.db2.gz JIYIOGQIWJCLSO-HNNXBMFYSA-N 1 3 308.470 0.472 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1(C)CC1 ZINC001325836860 947943398 /nfs/dbraw/zinc/94/33/98/947943398.db2.gz HSGPSTTZLPDZBB-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001273704104 948031542 /nfs/dbraw/zinc/03/15/42/948031542.db2.gz NUEPBGVFCMSAMA-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H](C(=O)N(CCO)CCNCCF)[NH+]1CCCCCC1 ZINC001326102738 948053099 /nfs/dbraw/zinc/05/30/99/948053099.db2.gz JXARLCQXLMTVTR-AWEZNQCLSA-N 1 3 303.422 0.631 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCCCC(N)=O)C2)C1=O ZINC001273761402 948072321 /nfs/dbraw/zinc/07/23/21/948072321.db2.gz KBNWRHNGNCZACQ-QGZVFWFLSA-N 1 3 324.469 0.518 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCCCC(N)=O)C2)C1=O ZINC001273761402 948072329 /nfs/dbraw/zinc/07/23/29/948072329.db2.gz KBNWRHNGNCZACQ-QGZVFWFLSA-N 1 3 324.469 0.518 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001326594015 948209296 /nfs/dbraw/zinc/20/92/96/948209296.db2.gz YUAFKRWXWLUZFR-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001487782996 948271192 /nfs/dbraw/zinc/27/11/92/948271192.db2.gz FLMAEEMNHJEOBL-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001487782996 948271196 /nfs/dbraw/zinc/27/11/96/948271196.db2.gz FLMAEEMNHJEOBL-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001487780453 948272584 /nfs/dbraw/zinc/27/25/84/948272584.db2.gz FQGVATPGFXEOSA-WCQYABFASA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001487780453 948272592 /nfs/dbraw/zinc/27/25/92/948272592.db2.gz FQGVATPGFXEOSA-WCQYABFASA-N 1 3 321.425 0.175 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC1CC1 ZINC001265146145 949377188 /nfs/dbraw/zinc/37/71/88/949377188.db2.gz NZQXVQIRUTYHMQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC1CC1 ZINC001265146145 949377210 /nfs/dbraw/zinc/37/72/10/949377210.db2.gz NZQXVQIRUTYHMQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001329169616 949408267 /nfs/dbraw/zinc/40/82/67/949408267.db2.gz YRTXSBGOYGGZGS-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001329169616 949408277 /nfs/dbraw/zinc/40/82/77/949408277.db2.gz YRTXSBGOYGGZGS-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001489768015 950084304 /nfs/dbraw/zinc/08/43/04/950084304.db2.gz ZPIGEVDEAHZMNV-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO O=C(C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)NC1CC1 ZINC000702627699 950334483 /nfs/dbraw/zinc/33/44/83/950334483.db2.gz FWFRVQYHIWJMEO-KRWDZBQOSA-N 1 3 303.406 0.492 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCc2ccc(CC[NH2+]CCO)cc2)C1 ZINC001266086147 950343955 /nfs/dbraw/zinc/34/39/55/950343955.db2.gz HQZBYAOWCAJBLW-OAHLLOKOSA-N 1 3 319.449 0.769 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001490197254 950420497 /nfs/dbraw/zinc/42/04/97/950420497.db2.gz XANNQERFFSAGHE-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001490197254 950420511 /nfs/dbraw/zinc/42/05/11/950420511.db2.gz XANNQERFFSAGHE-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC(=O)NC ZINC001490308822 950544099 /nfs/dbraw/zinc/54/40/99/950544099.db2.gz FVQJMVVKNMZSBZ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C(=O)C(=O)NCC(C)(C)N1CCCCC1)[C@H]1CC[NH2+]C1 ZINC001331112854 950920156 /nfs/dbraw/zinc/92/01/56/950920156.db2.gz HJSNHIWBLBMGNA-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001490605303 950940164 /nfs/dbraw/zinc/94/01/64/950940164.db2.gz AVKMFSAXBNZAFF-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001490605303 950940181 /nfs/dbraw/zinc/94/01/81/950940181.db2.gz AVKMFSAXBNZAFF-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](NCC(=O)NC(C)(C)C)C1CC1 ZINC001490701919 951059252 /nfs/dbraw/zinc/05/92/52/951059252.db2.gz VWDDMWRGIAOQIE-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001365815195 951577277 /nfs/dbraw/zinc/57/72/77/951577277.db2.gz HLHBFUGUJBTUEO-ZNMIVQPWSA-N 1 3 322.457 0.349 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001365821044 951582148 /nfs/dbraw/zinc/58/21/48/951582148.db2.gz OWRZVNJUTUXKFV-MCIONIFRSA-N 1 3 305.426 0.974 20 0 DCADHO Cc1nn(C)cc1CNC/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274367835 951589944 /nfs/dbraw/zinc/58/99/44/951589944.db2.gz HLOWKONUEHPGGG-NNTXTVRGSA-N 1 3 319.453 0.832 20 0 DCADHO Cc1nn(C)cc1CNC/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274367835 951589953 /nfs/dbraw/zinc/58/99/53/951589953.db2.gz HLOWKONUEHPGGG-NNTXTVRGSA-N 1 3 319.453 0.832 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001365850409 951615137 /nfs/dbraw/zinc/61/51/37/951615137.db2.gz XXNPCOUNUWYWBV-TUVASFSCSA-N 1 3 324.469 0.336 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001274481212 951657241 /nfs/dbraw/zinc/65/72/41/951657241.db2.gz FLYLTKLHMCCYRZ-GEXIGZQTSA-N 1 3 324.469 0.503 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001332974760 951870334 /nfs/dbraw/zinc/87/03/34/951870334.db2.gz DCFXBWRKXTXZQP-KGLIPLIRSA-N 1 3 300.422 0.078 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(CCCc3ccncc3)C[C@H]21 ZINC001274973374 951914471 /nfs/dbraw/zinc/91/44/71/951914471.db2.gz VVKOPFSWJGUEIG-MSOLQXFVSA-N 1 3 318.465 0.961 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccncn3)C[C@H]2CC1 ZINC001275221449 952015562 /nfs/dbraw/zinc/01/55/62/952015562.db2.gz CLSVTIZXUYXWKI-GASCZTMLSA-N 1 3 317.437 0.709 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccncn3)C[C@H]2CC1 ZINC001275221449 952015571 /nfs/dbraw/zinc/01/55/71/952015571.db2.gz CLSVTIZXUYXWKI-GASCZTMLSA-N 1 3 317.437 0.709 20 0 DCADHO COCCOC[C@@H](O)CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001336036195 952635442 /nfs/dbraw/zinc/63/54/42/952635442.db2.gz MEQRFWXAUOPMLE-SQNIBIBYSA-N 1 3 322.449 0.945 20 0 DCADHO COCCOC[C@@H](O)CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001336036195 952635444 /nfs/dbraw/zinc/63/54/44/952635444.db2.gz MEQRFWXAUOPMLE-SQNIBIBYSA-N 1 3 322.449 0.945 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC001336726926 952758550 /nfs/dbraw/zinc/75/85/50/952758550.db2.gz GTLGWIVATSKTCG-IAGOWNOFSA-N 1 3 313.486 0.516 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001339589781 953105284 /nfs/dbraw/zinc/10/52/84/953105284.db2.gz VRLSAKIUVTVZGP-OAHLLOKOSA-N 1 3 322.453 0.307 20 0 DCADHO CN(C)CCN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)C1CCCC1 ZINC001341804082 953251016 /nfs/dbraw/zinc/25/10/16/953251016.db2.gz ASSUQRFANXSRSE-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CNCCN2C)C1 ZINC001343374621 953342179 /nfs/dbraw/zinc/34/21/79/953342179.db2.gz HYFLXTBVWOKGTJ-OWCLPIDISA-N 1 3 310.486 0.764 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CNCCN2C)C1 ZINC001343374621 953342183 /nfs/dbraw/zinc/34/21/83/953342183.db2.gz HYFLXTBVWOKGTJ-OWCLPIDISA-N 1 3 310.486 0.764 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cncn3C)C2)CCC1 ZINC001366149556 953745540 /nfs/dbraw/zinc/74/55/40/953745540.db2.gz KEIUSFJOHMKEAS-BETUJISGSA-N 1 3 305.426 0.641 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001366280076 953950544 /nfs/dbraw/zinc/95/05/44/953950544.db2.gz WTBJXVSQSYLPKL-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001366280076 953950549 /nfs/dbraw/zinc/95/05/49/953950549.db2.gz WTBJXVSQSYLPKL-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001283085386 953991180 /nfs/dbraw/zinc/99/11/80/953991180.db2.gz DJEFZNOIKNGBKE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001283085386 953991188 /nfs/dbraw/zinc/99/11/88/953991188.db2.gz DJEFZNOIKNGBKE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001283122124 954033192 /nfs/dbraw/zinc/03/31/92/954033192.db2.gz GHHXTSDNYXVSCX-CHWSQXEVSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cncn1C ZINC001366363546 954102994 /nfs/dbraw/zinc/10/29/94/954102994.db2.gz LHZZCFVADULFIS-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001366408284 954163174 /nfs/dbraw/zinc/16/31/74/954163174.db2.gz LWNHHFORHYLJRB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366417014 954172363 /nfs/dbraw/zinc/17/23/63/954172363.db2.gz WBSGAFIOVVKIFC-HIFRSBDPSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001366507490 954292574 /nfs/dbraw/zinc/29/25/74/954292574.db2.gz BQZPVNMWACPRAD-CYBMUJFWSA-N 1 3 314.474 0.726 20 0 DCADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001366571371 954441304 /nfs/dbraw/zinc/44/13/04/954441304.db2.gz QXZQZWOECNUFFU-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccn(C)c(=O)c1)N(C)C ZINC001366631742 954551404 /nfs/dbraw/zinc/55/14/04/954551404.db2.gz WIEAMOUOKPDCRV-HNNXBMFYSA-N 1 3 322.453 0.664 20 0 DCADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccn(C)c(=O)c1)N(C)C ZINC001366631742 954551414 /nfs/dbraw/zinc/55/14/14/954551414.db2.gz WIEAMOUOKPDCRV-HNNXBMFYSA-N 1 3 322.453 0.664 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283713495 954552481 /nfs/dbraw/zinc/55/24/81/954552481.db2.gz IMYMEEFEVFWWIQ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283713495 954552487 /nfs/dbraw/zinc/55/24/87/954552487.db2.gz IMYMEEFEVFWWIQ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001349111958 954604399 /nfs/dbraw/zinc/60/43/99/954604399.db2.gz TZQQPALJLHLHOO-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001349111958 954604409 /nfs/dbraw/zinc/60/44/09/954604409.db2.gz TZQQPALJLHLHOO-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001366772943 954821475 /nfs/dbraw/zinc/82/14/75/954821475.db2.gz AEYNBXSAXWWSCI-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001366812082 954871892 /nfs/dbraw/zinc/87/18/92/954871892.db2.gz IHDCVPZSBYTOOP-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001350091173 954989028 /nfs/dbraw/zinc/98/90/28/954989028.db2.gz UDPFGSXQFZLLGE-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001366885412 954994100 /nfs/dbraw/zinc/99/41/00/954994100.db2.gz WDVBODVGFMJECK-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001350165013 955004292 /nfs/dbraw/zinc/00/42/92/955004292.db2.gz PSNFIVHPAVNNAG-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001350165013 955004298 /nfs/dbraw/zinc/00/42/98/955004298.db2.gz PSNFIVHPAVNNAG-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CCC1CCOCC1)C(=O)Cc1c[nH]cn1 ZINC001284446181 955101134 /nfs/dbraw/zinc/10/11/34/955101134.db2.gz CBWQKPZCFQNLDR-HNNXBMFYSA-N 1 3 324.425 0.178 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCC(F)(F)F)N(C)C ZINC001284456716 955108965 /nfs/dbraw/zinc/10/89/65/955108965.db2.gz NTGFTWXMMHNSSA-GHMZBOCLSA-N 1 3 313.364 0.688 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001367061519 955276734 /nfs/dbraw/zinc/27/67/34/955276734.db2.gz RCQMZORETKMYRX-KBPBESRZSA-N 1 3 320.441 0.250 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001367212721 955466413 /nfs/dbraw/zinc/46/64/13/955466413.db2.gz XVBPYBXTKAPDIM-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001367220446 955476738 /nfs/dbraw/zinc/47/67/38/955476738.db2.gz AUKDUCMHMIFIEZ-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001367288208 955592290 /nfs/dbraw/zinc/59/22/90/955592290.db2.gz KEVCFRCSUDJOEN-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001367318777 955636976 /nfs/dbraw/zinc/63/69/76/955636976.db2.gz RLHLBYVJXFTLLZ-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO C[C@]1(C(=O)NCCCN2CCc3ccccc3C2)C[C@@H](O)C[NH2+]1 ZINC001357364005 957255442 /nfs/dbraw/zinc/25/54/42/957255442.db2.gz ZUFDHIAFPAYSDB-SJLPKXTDSA-N 1 3 317.433 0.664 20 0 DCADHO CCn1nncc1CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367387570 957754732 /nfs/dbraw/zinc/75/47/32/957754732.db2.gz VQLYCKBFGDVUNK-ZIAGYGMSSA-N 1 3 322.457 0.576 20 0 DCADHO CCn1nncc1CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367387570 957754734 /nfs/dbraw/zinc/75/47/34/957754734.db2.gz VQLYCKBFGDVUNK-ZIAGYGMSSA-N 1 3 322.457 0.576 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367404462 957775837 /nfs/dbraw/zinc/77/58/37/957775837.db2.gz MFRVKJMIGWALCN-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367404462 957775845 /nfs/dbraw/zinc/77/58/45/957775845.db2.gz MFRVKJMIGWALCN-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001416840134 957828802 /nfs/dbraw/zinc/82/88/02/957828802.db2.gz WVNVSBOWZDOYHS-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001416840134 957828818 /nfs/dbraw/zinc/82/88/18/957828818.db2.gz WVNVSBOWZDOYHS-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001297108060 958141343 /nfs/dbraw/zinc/14/13/43/958141343.db2.gz ZCTYGHPFCZSVKI-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001367633707 958231073 /nfs/dbraw/zinc/23/10/73/958231073.db2.gz BZVHCPOJHXMRKS-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC1CC1 ZINC001367735617 958472086 /nfs/dbraw/zinc/47/20/86/958472086.db2.gz JOZFRXNRVHGYHB-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001367742987 958482755 /nfs/dbraw/zinc/48/27/55/958482755.db2.gz XGDTXKXVMSOWDK-CJNGLKHVSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001367752329 958501282 /nfs/dbraw/zinc/50/12/82/958501282.db2.gz GZNACBKKZSANCB-LBPRGKRZSA-N 1 3 322.457 0.864 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001367765773 958527933 /nfs/dbraw/zinc/52/79/33/958527933.db2.gz GRTLDPGLEINESS-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)CCC[NH+](C)C ZINC001298309082 958535528 /nfs/dbraw/zinc/53/55/28/958535528.db2.gz BKNCJSPVNOAEAA-ISZGNANSSA-N 1 3 310.442 0.211 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001367774748 958547335 /nfs/dbraw/zinc/54/73/35/958547335.db2.gz BODXZSXKOLJZQM-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCN(CC)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001298412316 958588349 /nfs/dbraw/zinc/58/83/49/958588349.db2.gz DXIXQDSEMGUDAB-LMVHVUTASA-N 1 3 310.442 0.069 20 0 DCADHO CCN(CC)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298412316 958588358 /nfs/dbraw/zinc/58/83/58/958588358.db2.gz DXIXQDSEMGUDAB-LMVHVUTASA-N 1 3 310.442 0.069 20 0 DCADHO CN1CC[C@H](NC[C@@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)C1=O ZINC001367910658 958841861 /nfs/dbraw/zinc/84/18/61/958841861.db2.gz JIGCCDGCFBSXBF-LSDHHAIUSA-N 1 3 322.453 0.043 20 0 DCADHO CCn1nncc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367924301 958871793 /nfs/dbraw/zinc/87/17/93/958871793.db2.gz MWPVNZSPNBNARD-ZFWWWQNUSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367924301 958871812 /nfs/dbraw/zinc/87/18/12/958871812.db2.gz MWPVNZSPNBNARD-ZFWWWQNUSA-N 1 3 320.441 0.234 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001376919565 959134893 /nfs/dbraw/zinc/13/48/93/959134893.db2.gz VRMOLFDNIRCXPJ-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001376948806 959187953 /nfs/dbraw/zinc/18/79/53/959187953.db2.gz GGSQXINBXRXAPO-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001368126376 959291101 /nfs/dbraw/zinc/29/11/01/959291101.db2.gz UWNSNNCSYDOSNX-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001368129422 959293318 /nfs/dbraw/zinc/29/33/18/959293318.db2.gz VXWPCYRBWXHHGY-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001368129422 959293333 /nfs/dbraw/zinc/29/33/33/959293333.db2.gz VXWPCYRBWXHHGY-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491886447 959354644 /nfs/dbraw/zinc/35/46/44/959354644.db2.gz BBCRGPRIJLLMQZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001377042627 959371524 /nfs/dbraw/zinc/37/15/24/959371524.db2.gz OVEUEDDQECJYIV-RDBSUJKOSA-N 1 3 314.474 0.534 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001377064964 959414318 /nfs/dbraw/zinc/41/43/18/959414318.db2.gz GGGJMKIMBGRKOJ-LSDHHAIUSA-N 1 3 321.469 0.789 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001377067343 959423207 /nfs/dbraw/zinc/42/32/07/959423207.db2.gz MVGLCVGEDQQBNM-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)C1=O ZINC001492034101 959568836 /nfs/dbraw/zinc/56/88/36/959568836.db2.gz CFRIUJFRMLNPPG-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001492130198 959610002 /nfs/dbraw/zinc/61/00/02/959610002.db2.gz ZZFKUNIBRDHVRE-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cnnn1C ZINC001492085496 959620112 /nfs/dbraw/zinc/62/01/12/959620112.db2.gz XGWXZEIAZOXINA-CYBMUJFWSA-N 1 3 324.473 0.777 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001368346917 959712211 /nfs/dbraw/zinc/71/22/11/959712211.db2.gz FRWOVRWLTDLUFZ-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001368351824 959715652 /nfs/dbraw/zinc/71/56/52/959715652.db2.gz NECJQBPIZPMROP-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001368533416 959990151 /nfs/dbraw/zinc/99/01/51/959990151.db2.gz FJHWDIDJIJLYLO-KBXIAJHMSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001368603002 960076469 /nfs/dbraw/zinc/07/64/69/960076469.db2.gz AIEHXOATPZXPAC-JOCQHMNTSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001377555751 960273609 /nfs/dbraw/zinc/27/36/09/960273609.db2.gz VXNFRGRDJZBMRQ-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001377555751 960273616 /nfs/dbraw/zinc/27/36/16/960273616.db2.gz VXNFRGRDJZBMRQ-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001377607980 960350306 /nfs/dbraw/zinc/35/03/06/960350306.db2.gz YTZGVDFJBZKKEF-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001377613146 960354982 /nfs/dbraw/zinc/35/49/82/960354982.db2.gz KWFWUQIWKORALT-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001316825508 960397294 /nfs/dbraw/zinc/39/72/94/960397294.db2.gz RSXRIVUGMCXYPJ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001316825508 960397304 /nfs/dbraw/zinc/39/73/04/960397304.db2.gz RSXRIVUGMCXYPJ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001377723169 960506003 /nfs/dbraw/zinc/50/60/03/960506003.db2.gz IEALQQFEAIIBKL-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCN(C)C2=O)C1 ZINC001377761507 960595803 /nfs/dbraw/zinc/59/58/03/960595803.db2.gz OSNDENUGOXHPAV-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCN(C)C2=O)C1 ZINC001377761507 960595812 /nfs/dbraw/zinc/59/58/12/960595812.db2.gz OSNDENUGOXHPAV-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H]([NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1)C(N)=O ZINC001378361211 960649956 /nfs/dbraw/zinc/64/99/56/960649956.db2.gz CWNWQAPRZJBTHW-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001378424164 960735705 /nfs/dbraw/zinc/73/57/05/960735705.db2.gz HIKPZUCLBKIVIK-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001377825305 960741849 /nfs/dbraw/zinc/74/18/49/960741849.db2.gz ZOTKRDIFGRRBNE-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001377911735 960958907 /nfs/dbraw/zinc/95/89/07/960958907.db2.gz CMHDRPSGSUWDLZ-RUXDESIVSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001377919576 960973414 /nfs/dbraw/zinc/97/34/14/960973414.db2.gz XGRLNWVLKISWRG-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]CC(=O)N(C)C ZINC001377981096 961114438 /nfs/dbraw/zinc/11/44/38/961114438.db2.gz YPNUXBDMZHYFGH-UHFFFAOYSA-N 1 3 314.474 0.489 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)nc1)N(C)C ZINC001378614427 961128529 /nfs/dbraw/zinc/12/85/29/961128529.db2.gz MUDKFHSDGQGTKU-DOMZBBRYSA-N 1 3 307.442 0.967 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001363489985 961262881 /nfs/dbraw/zinc/26/28/81/961262881.db2.gz NENQSKZHRUPGQG-SJORKVTESA-N 1 3 319.449 0.714 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001363489985 961262901 /nfs/dbraw/zinc/26/29/01/961262901.db2.gz NENQSKZHRUPGQG-SJORKVTESA-N 1 3 319.449 0.714 20 0 DCADHO CC(C)[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001549045922 1013245513 /nfs/dbraw/zinc/24/55/13/1013245513.db2.gz XLEIOMNQCRFQLO-OAHLLOKOSA-N 1 3 320.393 0.207 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001378717839 961335769 /nfs/dbraw/zinc/33/57/69/961335769.db2.gz VQPKVPXRGBEOIP-ZQDZILKHSA-N 1 3 309.454 0.536 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001378717839 961335791 /nfs/dbraw/zinc/33/57/91/961335791.db2.gz VQPKVPXRGBEOIP-ZQDZILKHSA-N 1 3 309.454 0.536 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCC1 ZINC001378792911 961488821 /nfs/dbraw/zinc/48/88/21/961488821.db2.gz ZVFMJBLDNNZKKQ-MELADBBJSA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CCC1 ZINC001378792911 961488833 /nfs/dbraw/zinc/48/88/33/961488833.db2.gz ZVFMJBLDNNZKKQ-MELADBBJSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378816319 961536407 /nfs/dbraw/zinc/53/64/07/961536407.db2.gz GXEKUFWRMHUHNK-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001378842734 961588902 /nfs/dbraw/zinc/58/89/02/961588902.db2.gz SJXDKSJMKHOPPN-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001430236857 1013277630 /nfs/dbraw/zinc/27/76/30/1013277630.db2.gz LSFGUAXDVZJQCH-KFWWJZLASA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001430236857 1013277639 /nfs/dbraw/zinc/27/76/39/1013277639.db2.gz LSFGUAXDVZJQCH-KFWWJZLASA-N 1 3 324.469 0.574 20 0 DCADHO CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001378930949 961724238 /nfs/dbraw/zinc/72/42/38/961724238.db2.gz XZNIWVOWYOSBMX-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379725930 961861157 /nfs/dbraw/zinc/86/11/57/961861157.db2.gz SGSXAXOWFCBSGS-QPSCCSFWSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379725930 961861171 /nfs/dbraw/zinc/86/11/71/961861171.db2.gz SGSXAXOWFCBSGS-QPSCCSFWSA-N 1 3 315.458 0.161 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](N[C@H](C)C(N)=O)C(C)(C)C1 ZINC001379731578 961881904 /nfs/dbraw/zinc/88/19/04/961881904.db2.gz NNCIKCKEQCXGFU-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@H](C)C(N)=O)C(C)(C)C1 ZINC001379731578 961881936 /nfs/dbraw/zinc/88/19/36/961881936.db2.gz NNCIKCKEQCXGFU-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001379738933 961909065 /nfs/dbraw/zinc/90/90/65/961909065.db2.gz JMCZUVOEAJMVHT-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnccc1C)N(C)C ZINC001379862156 962165434 /nfs/dbraw/zinc/16/54/34/962165434.db2.gz AHFFOIXIHNFVID-CVEARBPZSA-N 1 3 322.453 0.639 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@H](CN[C@H]2CCNC2=O)C2CC2)CC1 ZINC001379901456 962246798 /nfs/dbraw/zinc/24/67/98/962246798.db2.gz GALOIWNCFMTEQN-LSDHHAIUSA-N 1 3 322.453 0.091 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001379256619 962473812 /nfs/dbraw/zinc/47/38/12/962473812.db2.gz ULZICTQGWCZMQF-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001379356814 962708159 /nfs/dbraw/zinc/70/81/59/962708159.db2.gz IJRKNTJARDINHS-WBMJQRKESA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001364235231 962725447 /nfs/dbraw/zinc/72/54/47/962725447.db2.gz LMHOGHANJCDJIP-OAGGEKHMSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001364235231 962725461 /nfs/dbraw/zinc/72/54/61/962725461.db2.gz LMHOGHANJCDJIP-OAGGEKHMSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364235231 962725474 /nfs/dbraw/zinc/72/54/74/962725474.db2.gz LMHOGHANJCDJIP-OAGGEKHMSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001380160190 962795377 /nfs/dbraw/zinc/79/53/77/962795377.db2.gz RBDJXBKKVWOTKZ-JSGCOSHPSA-N 1 3 324.469 0.478 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](CO)NCCC(F)(F)F)[NH+](C)C ZINC001379428549 962901240 /nfs/dbraw/zinc/90/12/40/962901240.db2.gz VFGDRHMZTCKRQY-QWRGUYRKSA-N 1 3 313.364 0.592 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001379448181 962947406 /nfs/dbraw/zinc/94/74/06/962947406.db2.gz FYUGFYUIARMGQS-MNOVXSKESA-N 1 3 306.414 0.364 20 0 DCADHO NC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001380293107 963006403 /nfs/dbraw/zinc/00/64/03/963006403.db2.gz WGSOPOISHMAZKO-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001379483279 963023084 /nfs/dbraw/zinc/02/30/84/963023084.db2.gz ZJEVHRPGDBMLLO-CJNGLKHVSA-N 1 3 315.433 0.676 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)n[nH]1 ZINC001379574343 963197816 /nfs/dbraw/zinc/19/78/16/963197816.db2.gz RDZDODXYVPBZFO-LBPRGKRZSA-N 1 3 322.457 0.828 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001379574159 963200172 /nfs/dbraw/zinc/20/01/72/963200172.db2.gz ZDFXCSFZZFYKFV-ZDUSSCGKSA-N 1 3 323.441 0.125 20 0 DCADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001375175105 964097935 /nfs/dbraw/zinc/09/79/35/964097935.db2.gz QWCQGWGWQCVBKU-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1ccnc1CNC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001375247388 964170371 /nfs/dbraw/zinc/17/03/71/964170371.db2.gz VVTYXIGIGAGUMF-GJZGRUSLSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CNC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001375247388 964170376 /nfs/dbraw/zinc/17/03/76/964170376.db2.gz VVTYXIGIGAGUMF-GJZGRUSLSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001375496033 964478116 /nfs/dbraw/zinc/47/81/16/964478116.db2.gz AUBOUKQRRDUORX-LZWOXQAQSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001369271216 964628203 /nfs/dbraw/zinc/62/82/03/964628203.db2.gz UPPIAMFOOMCELX-RDBSUJKOSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001369271216 964628207 /nfs/dbraw/zinc/62/82/07/964628207.db2.gz UPPIAMFOOMCELX-RDBSUJKOSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001447728278 1013515630 /nfs/dbraw/zinc/51/56/30/1013515630.db2.gz YVACCTFEVKXRGT-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001373846304 964708388 /nfs/dbraw/zinc/70/83/88/964708388.db2.gz WNAUCTJAIRBBHY-ZDUSSCGKSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001375759075 964801941 /nfs/dbraw/zinc/80/19/41/964801941.db2.gz YTTMQLDTGXJFSK-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001375767647 964815698 /nfs/dbraw/zinc/81/56/98/964815698.db2.gz QJKXQEPKFSXRMU-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001375767647 964815718 /nfs/dbraw/zinc/81/57/18/964815718.db2.gz QJKXQEPKFSXRMU-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001369368290 964837743 /nfs/dbraw/zinc/83/77/43/964837743.db2.gz FVQMKQOGMFQXSY-CHWSQXEVSA-N 1 3 321.412 0.685 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001369394209 964886746 /nfs/dbraw/zinc/88/67/46/964886746.db2.gz DZRCHCRUMHYMDF-SQWLQELKSA-N 1 3 315.433 0.772 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001369394209 964886757 /nfs/dbraw/zinc/88/67/57/964886757.db2.gz DZRCHCRUMHYMDF-SQWLQELKSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)C[C@@H]1C ZINC001369402944 964906405 /nfs/dbraw/zinc/90/64/05/964906405.db2.gz STOJMDCMZKDPCS-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)N1CCCC1 ZINC001369423923 964956943 /nfs/dbraw/zinc/95/69/43/964956943.db2.gz QJYAZRCBKPTABU-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO Cc1nnc([C@H](C)NC[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001375889432 964957761 /nfs/dbraw/zinc/95/77/61/964957761.db2.gz MPWILRVFWLMALQ-BLLLJJGKSA-N 1 3 322.457 0.954 20 0 DCADHO Cn1ccnc1CNC[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001375895252 964962994 /nfs/dbraw/zinc/96/29/94/964962994.db2.gz KYWAOEWSBDYLHG-PBHICJAKSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001375895252 964963008 /nfs/dbraw/zinc/96/30/08/964963008.db2.gz KYWAOEWSBDYLHG-PBHICJAKSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1 ZINC001374068133 964970305 /nfs/dbraw/zinc/97/03/05/964970305.db2.gz GMUQDSCYYSXGIC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1cnc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001374078917 964983980 /nfs/dbraw/zinc/98/39/80/964983980.db2.gz PATIGTCJMGZJTL-UONOGXRCSA-N 1 3 319.453 0.969 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)CC[C@@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369512291 965120132 /nfs/dbraw/zinc/12/01/32/965120132.db2.gz ALLFGUXBQZQFSE-UKRRQHHQSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)CC[C@@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369512291 965120137 /nfs/dbraw/zinc/12/01/37/965120137.db2.gz ALLFGUXBQZQFSE-UKRRQHHQSA-N 1 3 324.425 0.130 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C)C(N)=O ZINC001369550739 965164833 /nfs/dbraw/zinc/16/48/33/965164833.db2.gz UYLJJLXGGCNFAR-NEPJUHHUSA-N 1 3 312.458 0.465 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001369718257 965331497 /nfs/dbraw/zinc/33/14/97/965331497.db2.gz DRMQJRXJQRWZBR-RYUDHWBXSA-N 1 3 323.441 0.612 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001369718257 965331509 /nfs/dbraw/zinc/33/15/09/965331509.db2.gz DRMQJRXJQRWZBR-RYUDHWBXSA-N 1 3 323.441 0.612 20 0 DCADHO Cn1cc(CN2CC[C@H]3CN(C(=O)CC[NH+](C)C)CC[C@@H]32)cn1 ZINC001374560802 965532883 /nfs/dbraw/zinc/53/28/83/965532883.db2.gz FUUAPHMJCLCJFC-HOTGVXAUSA-N 1 3 319.453 0.795 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001376349481 965554508 /nfs/dbraw/zinc/55/45/08/965554508.db2.gz RCUGFXHWAOLQMG-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001376376619 965588886 /nfs/dbraw/zinc/58/88/86/965588886.db2.gz QADGMPWRSTXDQZ-MGPQQGTHSA-N 1 3 310.442 0.090 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001376550780 965817354 /nfs/dbraw/zinc/81/73/54/965817354.db2.gz PJLULAFHCWRQBW-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001374728802 965824127 /nfs/dbraw/zinc/82/41/27/965824127.db2.gz PAAFXUDESSEOJF-KBPBESRZSA-N 1 3 312.458 0.240 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cn1 ZINC001374811847 965964663 /nfs/dbraw/zinc/96/46/63/965964663.db2.gz ZAOJDZQKMWPUJT-CHWSQXEVSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cn1 ZINC001374811847 965964670 /nfs/dbraw/zinc/96/46/70/965964670.db2.gz ZAOJDZQKMWPUJT-CHWSQXEVSA-N 1 3 305.426 0.721 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001370311436 965996116 /nfs/dbraw/zinc/99/61/16/965996116.db2.gz HBJINFFAFWTWHR-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001370311436 965996127 /nfs/dbraw/zinc/99/61/27/965996127.db2.gz HBJINFFAFWTWHR-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001370390356 966073421 /nfs/dbraw/zinc/07/34/21/966073421.db2.gz MBVHZKCNRLIFGV-LBPRGKRZSA-N 1 3 306.414 0.145 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCCNC1=O ZINC001376744097 966106753 /nfs/dbraw/zinc/10/67/53/966106753.db2.gz CYCXSTTVTNRSTC-UONOGXRCSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001374931114 966151226 /nfs/dbraw/zinc/15/12/26/966151226.db2.gz OMHFBMRIGYRQGK-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001381542323 966521463 /nfs/dbraw/zinc/52/14/63/966521463.db2.gz ZEVAUZHBDJETAY-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001447936428 1013659884 /nfs/dbraw/zinc/65/98/84/1013659884.db2.gz SRDCPOVKVOADJD-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001381740333 966659368 /nfs/dbraw/zinc/65/93/68/966659368.db2.gz YCMYKKXVOKWADK-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001381740333 966659373 /nfs/dbraw/zinc/65/93/73/966659373.db2.gz YCMYKKXVOKWADK-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001371180181 966786865 /nfs/dbraw/zinc/78/68/65/966786865.db2.gz RJGZRWLUBFVYPX-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)NC1CC1 ZINC001371211079 966817688 /nfs/dbraw/zinc/81/76/88/966817688.db2.gz ISFLENVRMGPPAC-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)NC1CC1 ZINC001371211079 966817697 /nfs/dbraw/zinc/81/76/97/966817697.db2.gz ISFLENVRMGPPAC-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)N1CCC1 ZINC001371250798 966847621 /nfs/dbraw/zinc/84/76/21/966847621.db2.gz OMYVXOPIFNZGSF-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CCCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001381990398 966849259 /nfs/dbraw/zinc/84/92/59/966849259.db2.gz WZSDXSWDMZLLIG-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001381990398 966849264 /nfs/dbraw/zinc/84/92/64/966849264.db2.gz WZSDXSWDMZLLIG-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382021671 966871526 /nfs/dbraw/zinc/87/15/26/966871526.db2.gz VNDMGOJMJQRGEX-TZMCWYRMSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001371308206 966888898 /nfs/dbraw/zinc/88/88/98/966888898.db2.gz PLYZUEUPWAFUPT-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCC(=O)N1CCC1 ZINC001371470293 967018425 /nfs/dbraw/zinc/01/84/25/967018425.db2.gz XTXGFKUSGLZESR-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001371495930 967040979 /nfs/dbraw/zinc/04/09/79/967040979.db2.gz KWDJOKVHVBMILV-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001371495930 967040994 /nfs/dbraw/zinc/04/09/94/967040994.db2.gz KWDJOKVHVBMILV-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)N(C)C ZINC001371506508 967053968 /nfs/dbraw/zinc/05/39/68/967053968.db2.gz NYSRMAFKGFVQRL-MCIONIFRSA-N 1 3 312.458 0.241 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001371535717 967091907 /nfs/dbraw/zinc/09/19/07/967091907.db2.gz REPZSXMOXRUOKU-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001371535470 967092906 /nfs/dbraw/zinc/09/29/06/967092906.db2.gz ZDNUKEOSXDXHGZ-KBPBESRZSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]CC1CC2(CCC2)C1 ZINC001382285554 967167217 /nfs/dbraw/zinc/16/72/17/967167217.db2.gz PGDANEJUYIBLRL-HNNXBMFYSA-N 1 3 311.470 0.974 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C[C@H]1C ZINC001382307219 967195008 /nfs/dbraw/zinc/19/50/08/967195008.db2.gz FFOSYGPKPWZVBO-GDBMZVCRSA-N 1 3 321.469 0.882 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)CN1C(=O)CN1CCCC1 ZINC001382317660 967210452 /nfs/dbraw/zinc/21/04/52/967210452.db2.gz UDZUJNWSLXSBKF-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)C(C)(C)C1)N(C)C ZINC001382372988 967283962 /nfs/dbraw/zinc/28/39/62/967283962.db2.gz ZXINFRGXLOPHPP-HZSPNIEDSA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCF ZINC001382465593 967411065 /nfs/dbraw/zinc/41/10/65/967411065.db2.gz QSQXICBEPJAWPO-CABCVRRESA-N 1 3 317.449 0.970 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCF ZINC001382465593 967411072 /nfs/dbraw/zinc/41/10/72/967411072.db2.gz QSQXICBEPJAWPO-CABCVRRESA-N 1 3 317.449 0.970 20 0 DCADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(N)=O ZINC001371884077 967419442 /nfs/dbraw/zinc/41/94/42/967419442.db2.gz BYKPOUQWPQHXSU-GFCCVEGCSA-N 1 3 306.410 0.332 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001372581527 968139597 /nfs/dbraw/zinc/13/95/97/968139597.db2.gz OYCAAFNAPHFVCE-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001372581527 968139603 /nfs/dbraw/zinc/13/96/03/968139603.db2.gz OYCAAFNAPHFVCE-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C)N(C)C ZINC001372729881 968302059 /nfs/dbraw/zinc/30/20/59/968302059.db2.gz RFYFFPDJYLQVAG-XNISGKROSA-N 1 3 324.469 0.097 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001373189060 968796866 /nfs/dbraw/zinc/79/68/66/968796866.db2.gz RYZPYDZLOKRFHV-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001373294407 968907290 /nfs/dbraw/zinc/90/72/90/968907290.db2.gz PYAYSSWIFFDLLH-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001448359578 1013883465 /nfs/dbraw/zinc/88/34/65/1013883465.db2.gz RPNYAYIVHKSJOQ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001431066901 1013893213 /nfs/dbraw/zinc/89/32/13/1013893213.db2.gz NSKIOAQDIWABSM-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431066901 1013893221 /nfs/dbraw/zinc/89/32/21/1013893221.db2.gz NSKIOAQDIWABSM-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001448512064 1013937553 /nfs/dbraw/zinc/93/75/53/1013937553.db2.gz RIGWPENNCJGFBU-IHRRRGAJSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1nccn1C ZINC001448561183 1013951269 /nfs/dbraw/zinc/95/12/69/1013951269.db2.gz KIXUWOGACBUWAU-LSDHHAIUSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1nccn1C ZINC001448561183 1013951275 /nfs/dbraw/zinc/95/12/75/1013951275.db2.gz KIXUWOGACBUWAU-LSDHHAIUSA-N 1 3 321.469 0.992 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001448582832 1013957373 /nfs/dbraw/zinc/95/73/73/1013957373.db2.gz GMLAAHKIKDWAGP-OCCSQVGLSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)NC1CC1 ZINC001448724027 1014012298 /nfs/dbraw/zinc/01/22/98/1014012298.db2.gz KWTICWHNFAWPDV-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)NC1CC1 ZINC001448724027 1014012303 /nfs/dbraw/zinc/01/23/03/1014012303.db2.gz KWTICWHNFAWPDV-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001448897336 1014088024 /nfs/dbraw/zinc/08/80/24/1014088024.db2.gz CHNWUENYWZTFSW-WFASDCNBSA-N 1 3 303.422 0.676 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001448940749 1014102508 /nfs/dbraw/zinc/10/25/08/1014102508.db2.gz ZYOSBYAMDFUSPJ-AWEZNQCLSA-N 1 3 300.447 0.099 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@@H]2[NH3+])cn1 ZINC001549051078 1014124897 /nfs/dbraw/zinc/12/48/97/1014124897.db2.gz SGBIHPDVNSLODP-HOTGVXAUSA-N 1 3 311.389 0.590 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001449010547 1014133277 /nfs/dbraw/zinc/13/32/77/1014133277.db2.gz JYQWTTIGKJEUJD-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001449016856 1014135068 /nfs/dbraw/zinc/13/50/68/1014135068.db2.gz PYGHRIKLEBEOQB-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001449016856 1014135072 /nfs/dbraw/zinc/13/50/72/1014135072.db2.gz PYGHRIKLEBEOQB-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]CC3)C2)nn1 ZINC001549123701 1014140827 /nfs/dbraw/zinc/14/08/27/1014140827.db2.gz FZJSRELMWUPYRA-OCCSQVGLSA-N 1 3 306.414 0.290 20 0 DCADHO Cc1c(C(=O)Nc2ccc3c(c2)CNC3)nnn1[C@H]1CC[NH2+]C1 ZINC001549292606 1014199830 /nfs/dbraw/zinc/19/98/30/1014199830.db2.gz OANRNFYSVGSFIG-AWEZNQCLSA-N 1 3 312.377 0.976 20 0 DCADHO Cc1c([C@@H]2CN(CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C(N)=O)cnn1C ZINC001549530336 1014297550 /nfs/dbraw/zinc/29/75/50/1014297550.db2.gz VVZXMTWAXZAVBB-BPUTZDHNSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2CN(CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C(N)=O)cnn1C ZINC001549530336 1014297558 /nfs/dbraw/zinc/29/75/58/1014297558.db2.gz VVZXMTWAXZAVBB-BPUTZDHNSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2C[N@H+](CC[C@@H]3CCCN3C)C[C@@H]2C(N)=O)cnn1C ZINC001549530336 1014297564 /nfs/dbraw/zinc/29/75/64/1014297564.db2.gz VVZXMTWAXZAVBB-BPUTZDHNSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2C[N@@H+](CC[C@@H]3CCCN3C)C[C@@H]2C(N)=O)cnn1C ZINC001549530336 1014297573 /nfs/dbraw/zinc/29/75/73/1014297573.db2.gz VVZXMTWAXZAVBB-BPUTZDHNSA-N 1 3 319.453 0.714 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)C[C@@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001449227663 1014326239 /nfs/dbraw/zinc/32/62/39/1014326239.db2.gz JDLSDZABQXYZTG-ZFWWWQNUSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001449227663 1014326249 /nfs/dbraw/zinc/32/62/49/1014326249.db2.gz JDLSDZABQXYZTG-ZFWWWQNUSA-N 1 3 324.425 0.130 20 0 DCADHO CC(C)(C)[C@H](N)C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549724934 1014424872 /nfs/dbraw/zinc/42/48/72/1014424872.db2.gz PQJHGKMPNYXIOP-TZMCWYRMSA-N 1 3 306.410 0.812 20 0 DCADHO O=C(Nc1cn[nH]c1[C@@H]1CC[NH2+]C1)[C@H]1CCn2ccnc2C1 ZINC001549738152 1014435609 /nfs/dbraw/zinc/43/56/09/1014435609.db2.gz RQQOVVOIGFNZCM-WDEREUQCSA-N 1 3 300.366 0.884 20 0 DCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cnn3c2CNCC3)CC1 ZINC001549752233 1014445087 /nfs/dbraw/zinc/44/50/87/1014445087.db2.gz LBDDAFIWTSZMAU-NVXWUHKLSA-N 1 3 319.453 0.705 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001449549952 1014540623 /nfs/dbraw/zinc/54/06/23/1014540623.db2.gz JQQIGBVYOXBDMZ-NFOMZHRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC001550063456 1014543809 /nfs/dbraw/zinc/54/38/09/1014543809.db2.gz UOHLEYDEFHVHQG-RRFJBIMHSA-N 1 3 320.441 0.631 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC001550063456 1014543815 /nfs/dbraw/zinc/54/38/15/1014543815.db2.gz UOHLEYDEFHVHQG-RRFJBIMHSA-N 1 3 320.441 0.631 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001523177084 1014598876 /nfs/dbraw/zinc/59/88/76/1014598876.db2.gz HZEHILUVSBFEAI-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001523177084 1014598886 /nfs/dbraw/zinc/59/88/86/1014598886.db2.gz HZEHILUVSBFEAI-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200208 1014626219 /nfs/dbraw/zinc/62/62/19/1014626219.db2.gz DJDGZTZCPNTWIW-AWEZNQCLSA-N 1 3 324.469 0.692 20 0 DCADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001550287556 1014653097 /nfs/dbraw/zinc/65/30/97/1014653097.db2.gz KCAIZLXLWSZEBM-BMRXWSCTSA-N 1 3 322.453 0.679 20 0 DCADHO CC[C@H](C(=O)NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001523527311 1014715891 /nfs/dbraw/zinc/71/58/91/1014715891.db2.gz IZCJUPZAWLKISA-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001523527311 1014715901 /nfs/dbraw/zinc/71/59/01/1014715901.db2.gz IZCJUPZAWLKISA-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO Cn1nccc1[C@@H]1[C@@H](CN[C@H]2C[NH2+]CCOC2)CCCN1C ZINC001550473897 1014717938 /nfs/dbraw/zinc/71/79/38/1014717938.db2.gz TVYJAMMPDBVQTN-YCPHGPKFSA-N 1 3 307.442 0.381 20 0 DCADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001550750305 1014833984 /nfs/dbraw/zinc/83/39/84/1014833984.db2.gz JEIOJVAKKJIUFD-YOPVGWMHSA-N 1 3 322.453 0.223 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755911 1014842385 /nfs/dbraw/zinc/84/23/85/1014842385.db2.gz MZQPRGQEFNGYPH-BFHYXJOUSA-N 1 3 310.442 0.537 20 0 DCADHO CC(C)(C)CNC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550912534 1014909831 /nfs/dbraw/zinc/90/98/31/1014909831.db2.gz JCEUEQODELLPBI-BBRMVZONSA-N 1 3 324.469 0.385 20 0 DCADHO COc1cc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)sn1 ZINC001550934623 1014916348 /nfs/dbraw/zinc/91/63/48/1014916348.db2.gz JPYVMNCNFIBZTI-IUODEOHRSA-N 1 3 324.450 0.888 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001551099137 1014967506 /nfs/dbraw/zinc/96/75/06/1014967506.db2.gz AOVQXSHBLYEWGX-OAGGEKHMSA-N 1 3 309.454 0.918 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001551099137 1014967517 /nfs/dbraw/zinc/96/75/17/1014967517.db2.gz AOVQXSHBLYEWGX-OAGGEKHMSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001383055965 984646023 /nfs/dbraw/zinc/64/60/23/984646023.db2.gz RXBGGVQGCLHRCY-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383055965 984646025 /nfs/dbraw/zinc/64/60/25/984646025.db2.gz RXBGGVQGCLHRCY-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001383466895 984875090 /nfs/dbraw/zinc/87/50/90/984875090.db2.gz HCKAYTSLLSFJLR-AJNGGQMLSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001383466895 984875101 /nfs/dbraw/zinc/87/51/01/984875101.db2.gz HCKAYTSLLSFJLR-AJNGGQMLSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001383780388 985088240 /nfs/dbraw/zinc/08/82/40/985088240.db2.gz UESZIIMEIUSSBW-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@]23C[C@@]2(C(F)(F)F)C[NH2+]C3)C1 ZINC001551558545 1015137948 /nfs/dbraw/zinc/13/79/48/1015137948.db2.gz IIUAIFAOOOEAGH-CYZMBNFOSA-N 1 3 320.359 0.922 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551583044 1015145930 /nfs/dbraw/zinc/14/59/30/1015145930.db2.gz RQOURBVHMXDHBD-RXAYYZCOSA-N 1 3 322.453 0.761 20 0 DCADHO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2)N(C)C ZINC001385245585 986181999 /nfs/dbraw/zinc/18/19/99/986181999.db2.gz RGXVZXJBEKMIPZ-QPSCCSFWSA-N 1 3 324.469 0.526 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001385313048 986243866 /nfs/dbraw/zinc/24/38/66/986243866.db2.gz HEUSUFKDUBRTRF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001385313048 986243875 /nfs/dbraw/zinc/24/38/75/986243875.db2.gz HEUSUFKDUBRTRF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385372125 986303194 /nfs/dbraw/zinc/30/31/94/986303194.db2.gz GHJHEWWVCSORIV-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385372125 986303204 /nfs/dbraw/zinc/30/32/04/986303204.db2.gz GHJHEWWVCSORIV-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001385391915 986316680 /nfs/dbraw/zinc/31/66/80/986316680.db2.gz HFIBUONLHILBEF-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001385391915 986316689 /nfs/dbraw/zinc/31/66/89/986316689.db2.gz HFIBUONLHILBEF-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001385417050 986334117 /nfs/dbraw/zinc/33/41/17/986334117.db2.gz YYWOAEKXRXOQKC-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(CC)CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001385417050 986334123 /nfs/dbraw/zinc/33/41/23/986334123.db2.gz YYWOAEKXRXOQKC-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001385492892 986384855 /nfs/dbraw/zinc/38/48/55/986384855.db2.gz DUEDEADQYYGLGD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001386180673 986921376 /nfs/dbraw/zinc/92/13/76/986921376.db2.gz PZICVIYUGQVUFF-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386314423 987063742 /nfs/dbraw/zinc/06/37/42/987063742.db2.gz QUHJNQSLMIERDW-MQYQWHSLSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386314423 987063751 /nfs/dbraw/zinc/06/37/51/987063751.db2.gz QUHJNQSLMIERDW-MQYQWHSLSA-N 1 3 310.442 0.042 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001386313949 987064720 /nfs/dbraw/zinc/06/47/20/987064720.db2.gz HLCARPXBKOHROS-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001386313949 987064728 /nfs/dbraw/zinc/06/47/28/987064728.db2.gz HLCARPXBKOHROS-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001386790420 987400714 /nfs/dbraw/zinc/40/07/14/987400714.db2.gz GBIWATBPNNJNKZ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001386790420 987400716 /nfs/dbraw/zinc/40/07/16/987400716.db2.gz GBIWATBPNNJNKZ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)C1 ZINC001552169105 1015304402 /nfs/dbraw/zinc/30/44/02/1015304402.db2.gz VAYIUPSWHBTELF-NUEKZKHPSA-N 1 3 319.453 0.632 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001386942760 987518038 /nfs/dbraw/zinc/51/80/38/987518038.db2.gz KWUDSLSAWOKICX-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001386942760 987518043 /nfs/dbraw/zinc/51/80/43/987518043.db2.gz KWUDSLSAWOKICX-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N(C)[C@@H]2CCN(C)C2)cnn1C ZINC001552215798 1015333710 /nfs/dbraw/zinc/33/37/10/1015333710.db2.gz LWYCONLOSSMLHK-VHDGCEQUSA-N 1 3 305.426 0.194 20 0 DCADHO CN1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001387489795 987865990 /nfs/dbraw/zinc/86/59/90/987865990.db2.gz MQLJQSPBJKOSLN-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001387489795 987865995 /nfs/dbraw/zinc/86/59/95/987865995.db2.gz MQLJQSPBJKOSLN-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001552245722 1015344930 /nfs/dbraw/zinc/34/49/30/1015344930.db2.gz GDTATOOXVLFUFF-PMPSAXMXSA-N 1 3 305.422 0.371 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001552245722 1015344937 /nfs/dbraw/zinc/34/49/37/1015344937.db2.gz GDTATOOXVLFUFF-PMPSAXMXSA-N 1 3 305.422 0.371 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001387741461 988106992 /nfs/dbraw/zinc/10/69/92/988106992.db2.gz MTNWPCDJGBOIEW-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001388452328 988324806 /nfs/dbraw/zinc/32/48/06/988324806.db2.gz UZNBKCHZFXCTLC-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388452328 988324820 /nfs/dbraw/zinc/32/48/20/988324820.db2.gz UZNBKCHZFXCTLC-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H]1CCNC1=O ZINC001388762089 988564171 /nfs/dbraw/zinc/56/41/71/988564171.db2.gz MTFNGFUPHBHFHI-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H]1CCNC1=O ZINC001388762089 988564175 /nfs/dbraw/zinc/56/41/75/988564175.db2.gz MTFNGFUPHBHFHI-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN(C)C(=O)CN1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001389001298 988728576 /nfs/dbraw/zinc/72/85/76/988728576.db2.gz WYDBGPDCEHISQG-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CN(CCN(C)C(=O)CN1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001389001298 988728585 /nfs/dbraw/zinc/72/85/85/988728585.db2.gz WYDBGPDCEHISQG-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CCn2cncn2)C2CC2)CCC1 ZINC001389613528 989431969 /nfs/dbraw/zinc/43/19/69/989431969.db2.gz URFYJWMAOJUTPN-CQSZACIVSA-N 1 3 320.441 0.247 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001389695943 989497661 /nfs/dbraw/zinc/49/76/61/989497661.db2.gz TWEYIVKCHHVEIL-HIFRSBDPSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389695943 989497664 /nfs/dbraw/zinc/49/76/64/989497664.db2.gz TWEYIVKCHHVEIL-HIFRSBDPSA-N 1 3 305.426 0.356 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001389815912 989605878 /nfs/dbraw/zinc/60/58/78/989605878.db2.gz JMUDVLJOTGNYEC-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001389873553 989653399 /nfs/dbraw/zinc/65/33/99/989653399.db2.gz LXSRQKIPPZODTK-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](NCC(=O)Nc2ccon2)C1 ZINC001389996258 989737385 /nfs/dbraw/zinc/73/73/85/989737385.db2.gz YRVRDQROJNCZPT-TXEJJXNPSA-N 1 3 323.397 0.192 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001390039064 989768310 /nfs/dbraw/zinc/76/83/10/989768310.db2.gz PIQPGMIQQMDXMF-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cc1nc[nH]c1C ZINC001390464063 990125373 /nfs/dbraw/zinc/12/53/73/990125373.db2.gz BYSMBQJNYOTQDR-OLZOCXBDSA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cc1nc[nH]c1C ZINC001390464063 990125376 /nfs/dbraw/zinc/12/53/76/990125376.db2.gz BYSMBQJNYOTQDR-OLZOCXBDSA-N 1 3 321.425 0.223 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N[C@H]1CCNC1=O ZINC001390491872 990146430 /nfs/dbraw/zinc/14/64/30/990146430.db2.gz JEXHEMRWNUALBC-DOMZBBRYSA-N 1 3 318.421 0.345 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001390557488 990198070 /nfs/dbraw/zinc/19/80/70/990198070.db2.gz KGKOSASUHKSKOG-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001390572794 990210010 /nfs/dbraw/zinc/21/00/10/990210010.db2.gz GIMYQFUDNKGIDE-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCc1ccnn1C ZINC001390844698 990433776 /nfs/dbraw/zinc/43/37/76/990433776.db2.gz MDZLRENKDLIXDF-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCc1ccnn1C ZINC001390844698 990433781 /nfs/dbraw/zinc/43/37/81/990433781.db2.gz MDZLRENKDLIXDF-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001391022321 990521021 /nfs/dbraw/zinc/52/10/21/990521021.db2.gz LNPLUEITHNGBTG-UONOGXRCSA-N 1 3 320.441 0.155 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001391022321 990521030 /nfs/dbraw/zinc/52/10/30/990521030.db2.gz LNPLUEITHNGBTG-UONOGXRCSA-N 1 3 320.441 0.155 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552956662 1015573791 /nfs/dbraw/zinc/57/37/91/1015573791.db2.gz UFKULUVJRZJCRG-BFYDXBDKSA-N 1 3 322.453 0.824 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001391212611 990673605 /nfs/dbraw/zinc/67/36/05/990673605.db2.gz KQSPTXUKWZAFQI-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001391212611 990673613 /nfs/dbraw/zinc/67/36/13/990673613.db2.gz KQSPTXUKWZAFQI-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@H](CC)C(N)=O)C1 ZINC001391222237 990681606 /nfs/dbraw/zinc/68/16/06/990681606.db2.gz FERAIMXJPFUPCF-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@H](CC)C(N)=O)C1 ZINC001391222237 990681609 /nfs/dbraw/zinc/68/16/09/990681609.db2.gz FERAIMXJPFUPCF-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO O=C(N1CCOCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001552972349 1015582017 /nfs/dbraw/zinc/58/20/17/1015582017.db2.gz BKYXOXSBOIJDQG-MQVJKMGUSA-N 1 3 322.453 0.587 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCN(CC)C1=O ZINC001391734941 991144973 /nfs/dbraw/zinc/14/49/73/991144973.db2.gz FGPYOXINWKBAKA-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001391737367 991146892 /nfs/dbraw/zinc/14/68/92/991146892.db2.gz NBAVCEPHCDHLHO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001391737367 991146893 /nfs/dbraw/zinc/14/68/93/991146893.db2.gz NBAVCEPHCDHLHO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)nn1C ZINC001391926012 991297526 /nfs/dbraw/zinc/29/75/26/991297526.db2.gz STEUIHQFYJBHMO-CYBMUJFWSA-N 1 3 321.469 0.912 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001391952785 991323145 /nfs/dbraw/zinc/32/31/45/991323145.db2.gz SRWJCEPFFAGXQC-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1cnc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)cn1 ZINC001391960990 991332254 /nfs/dbraw/zinc/33/22/54/991332254.db2.gz DRAWXTAUGQQGNU-ZDUSSCGKSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392100784 991492550 /nfs/dbraw/zinc/49/25/50/991492550.db2.gz NTHJMKPQQZVRJQ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392100784 991492553 /nfs/dbraw/zinc/49/25/53/991492553.db2.gz NTHJMKPQQZVRJQ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)CN1CCCC1 ZINC001392136876 991535540 /nfs/dbraw/zinc/53/55/40/991535540.db2.gz WQAVFBKEAPEJDP-CQSZACIVSA-N 1 3 320.437 0.418 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001392160487 991561817 /nfs/dbraw/zinc/56/18/17/991561817.db2.gz CDLVYWFKAIRNLZ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001392160487 991561824 /nfs/dbraw/zinc/56/18/24/991561824.db2.gz CDLVYWFKAIRNLZ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2ccns2)C1 ZINC001392424439 991911442 /nfs/dbraw/zinc/91/14/42/991911442.db2.gz NZIHGDJGLMDHOQ-VXGBXAGGSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2ccns2)C1 ZINC001392424439 991911448 /nfs/dbraw/zinc/91/14/48/991911448.db2.gz NZIHGDJGLMDHOQ-VXGBXAGGSA-N 1 3 312.439 0.052 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001392439369 991932312 /nfs/dbraw/zinc/93/23/12/991932312.db2.gz JCOHITNQLAPEDX-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001392508416 992024823 /nfs/dbraw/zinc/02/48/23/992024823.db2.gz CQQGDWLIPQPPIU-CHWSQXEVSA-N 1 3 307.442 0.665 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001392610029 992156782 /nfs/dbraw/zinc/15/67/82/992156782.db2.gz HDSFPLTZJHXJCQ-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)CC1 ZINC001392789298 992398658 /nfs/dbraw/zinc/39/86/58/992398658.db2.gz PSPDPRUMUUUACF-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001393042620 992645617 /nfs/dbraw/zinc/64/56/17/992645617.db2.gz ABDZQYHWQKILHZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001393042620 992645619 /nfs/dbraw/zinc/64/56/19/992645619.db2.gz ABDZQYHWQKILHZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001393051013 992651200 /nfs/dbraw/zinc/65/12/00/992651200.db2.gz GGAOTRIVNJLRHL-UKRRQHHQSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+]1CCCCC1 ZINC001393051725 992651551 /nfs/dbraw/zinc/65/15/51/992651551.db2.gz HUKLIJIRYJXTPG-GDBMZVCRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001393526867 993054717 /nfs/dbraw/zinc/05/47/17/993054717.db2.gz YTZGVDFJBZKKEF-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001393603753 993117389 /nfs/dbraw/zinc/11/73/89/993117389.db2.gz SEGLRJHLKMXNAP-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001393603753 993117391 /nfs/dbraw/zinc/11/73/91/993117391.db2.gz SEGLRJHLKMXNAP-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001393696859 993184352 /nfs/dbraw/zinc/18/43/52/993184352.db2.gz OCWLQYHJWZEKES-RDJZCZTQSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCc1cncn1C ZINC001393744729 993218812 /nfs/dbraw/zinc/21/88/12/993218812.db2.gz FLWKHUOMZZRGAU-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cc2n(n1)CCC2 ZINC001393827259 993281945 /nfs/dbraw/zinc/28/19/45/993281945.db2.gz UBEHLNJJGHXZNG-KBPBESRZSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cc2n(n1)CCC2 ZINC001393827259 993281951 /nfs/dbraw/zinc/28/19/51/993281951.db2.gz UBEHLNJJGHXZNG-KBPBESRZSA-N 1 3 319.453 0.765 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001394003817 993405348 /nfs/dbraw/zinc/40/53/48/993405348.db2.gz OWBZCQRSSBDKMV-ZIAGYGMSSA-N 1 3 314.474 0.676 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCn1cccn1 ZINC001394070648 993454701 /nfs/dbraw/zinc/45/47/01/993454701.db2.gz SARUKMQMCOHIES-HOCLYGCPSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@H](NCc1cnn(C)c1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001394324948 993622059 /nfs/dbraw/zinc/62/20/59/993622059.db2.gz CMLVYJMBQQVYAH-DZGCQCFKSA-N 1 3 323.441 0.077 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001394376914 993663773 /nfs/dbraw/zinc/66/37/73/993663773.db2.gz VLPUQARMMOPDCK-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001399718087 993699362 /nfs/dbraw/zinc/69/93/62/993699362.db2.gz BERSJQQZPUXCCX-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001399718087 993699366 /nfs/dbraw/zinc/69/93/66/993699366.db2.gz BERSJQQZPUXCCX-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)NC1CC1 ZINC001394487975 993763147 /nfs/dbraw/zinc/76/31/47/993763147.db2.gz CSYUHQOOPZSLFV-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)NC1CC1 ZINC001394487975 993763155 /nfs/dbraw/zinc/76/31/55/993763155.db2.gz CSYUHQOOPZSLFV-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001394536377 993806827 /nfs/dbraw/zinc/80/68/27/993806827.db2.gz IATRKKZGXSXQRT-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001394536377 993806834 /nfs/dbraw/zinc/80/68/34/993806834.db2.gz IATRKKZGXSXQRT-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001394539062 993811002 /nfs/dbraw/zinc/81/10/02/993811002.db2.gz ISUSFBYBHDWKJA-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001394559211 993827479 /nfs/dbraw/zinc/82/74/79/993827479.db2.gz WRPVFKZOHALOED-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001394559211 993827485 /nfs/dbraw/zinc/82/74/85/993827485.db2.gz WRPVFKZOHALOED-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001394664061 993988919 /nfs/dbraw/zinc/98/89/19/993988919.db2.gz AVCLPHWPZZKXRN-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001394682299 994016603 /nfs/dbraw/zinc/01/66/03/994016603.db2.gz VOTLCTRCNXAAIF-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001394682299 994016608 /nfs/dbraw/zinc/01/66/08/994016608.db2.gz VOTLCTRCNXAAIF-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NC)C(C)(C)C1 ZINC001394722957 994057308 /nfs/dbraw/zinc/05/73/08/994057308.db2.gz WMWILWQJDUOVLE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NC)C(C)(C)C1 ZINC001394722957 994057316 /nfs/dbraw/zinc/05/73/16/994057316.db2.gz WMWILWQJDUOVLE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C(C)(C)C)N(C)C ZINC001394838179 994199174 /nfs/dbraw/zinc/19/91/74/994199174.db2.gz VVDSTJNPAMUGQP-QWHCGFSZSA-N 1 3 314.474 0.535 20 0 DCADHO CN(C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001394850151 994211353 /nfs/dbraw/zinc/21/13/53/994211353.db2.gz BTYHYQFBEKHEGC-ZALBZXLWSA-N 1 3 322.453 0.280 20 0 DCADHO Cc1cnc(CNC2CC(N(C)C(=O)CC[NH+](C)C)C2)cn1 ZINC001394860587 994222029 /nfs/dbraw/zinc/22/20/29/994222029.db2.gz USKSYPDKLTUQTN-UHFFFAOYSA-N 1 3 305.426 0.816 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001400210075 994284206 /nfs/dbraw/zinc/28/42/06/994284206.db2.gz WFNOUYUPVZQQMS-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CN1CC[C@H](C)C1 ZINC001400496845 994587325 /nfs/dbraw/zinc/58/73/25/994587325.db2.gz CFYLAGPMOKNTRC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CN1CC[C@H](C)C1 ZINC001400496845 994587339 /nfs/dbraw/zinc/58/73/39/994587339.db2.gz CFYLAGPMOKNTRC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001400583582 994677676 /nfs/dbraw/zinc/67/76/76/994677676.db2.gz RJFTVFGTMQAQCL-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001400583582 994677681 /nfs/dbraw/zinc/67/76/81/994677681.db2.gz RJFTVFGTMQAQCL-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001395619330 994809933 /nfs/dbraw/zinc/80/99/33/994809933.db2.gz NNASKAQVCJTRJD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC001400716480 994834039 /nfs/dbraw/zinc/83/40/39/994834039.db2.gz YQLJRWOGWRSCTI-HNNXBMFYSA-N 1 3 320.437 0.370 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001396951571 995701227 /nfs/dbraw/zinc/70/12/27/995701227.db2.gz FOCMPURUCQGJKO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001396951571 995701235 /nfs/dbraw/zinc/70/12/35/995701235.db2.gz FOCMPURUCQGJKO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001397059979 995776951 /nfs/dbraw/zinc/77/69/51/995776951.db2.gz IPXLWXBLCMXAKN-RFQIPJPRSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001397095880 995793890 /nfs/dbraw/zinc/79/38/90/995793890.db2.gz JDDKNIMZNZJGHJ-IJEWVQPXSA-N 1 3 321.469 0.991 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001397103798 995797306 /nfs/dbraw/zinc/79/73/06/995797306.db2.gz VAERRNFVONWUBD-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001397595986 996087884 /nfs/dbraw/zinc/08/78/84/996087884.db2.gz TWGPVUPXDCNWSA-OKILXGFUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)N(C)C)C1 ZINC001397724309 996144904 /nfs/dbraw/zinc/14/49/04/996144904.db2.gz IOVWRAKOOAPMKC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001397987128 996295954 /nfs/dbraw/zinc/29/59/54/996295954.db2.gz PLJDCILDPQKYKS-UONOGXRCSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001397987128 996295960 /nfs/dbraw/zinc/29/59/60/996295960.db2.gz PLJDCILDPQKYKS-UONOGXRCSA-N 1 3 312.458 0.099 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001398038327 996328071 /nfs/dbraw/zinc/32/80/71/996328071.db2.gz GTISOPCBYDENQP-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001398038327 996328075 /nfs/dbraw/zinc/32/80/75/996328075.db2.gz GTISOPCBYDENQP-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CN1CCCC1 ZINC001398101357 996365685 /nfs/dbraw/zinc/36/56/85/996365685.db2.gz IJIBJKOQUDSRED-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNC(=O)CN(C)C(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001398108024 996368370 /nfs/dbraw/zinc/36/83/70/996368370.db2.gz GCZURJDICHDXJH-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNC(=O)CN(C)C(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001398108024 996368375 /nfs/dbraw/zinc/36/83/75/996368375.db2.gz GCZURJDICHDXJH-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H]([NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001398433407 996514154 /nfs/dbraw/zinc/51/41/54/996514154.db2.gz BJQPHICYCWCASM-UONOGXRCSA-N 1 3 324.469 0.609 20 0 DCADHO Cn1nncc1CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001398442649 996517994 /nfs/dbraw/zinc/51/79/94/996517994.db2.gz CDPJURLPMWVOEZ-SWLSCSKDSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398442649 996518000 /nfs/dbraw/zinc/51/80/00/996518000.db2.gz CDPJURLPMWVOEZ-SWLSCSKDSA-N 1 3 320.441 0.141 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001398456265 996525833 /nfs/dbraw/zinc/52/58/33/996525833.db2.gz VWNYMDARVOJILD-HOCLYGCPSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001398477582 996536332 /nfs/dbraw/zinc/53/63/32/996536332.db2.gz SHGILWJFMQYSPP-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001398559568 996573515 /nfs/dbraw/zinc/57/35/15/996573515.db2.gz DZCLCFNPTGZTKG-MRVWCRGKSA-N 1 3 310.442 0.232 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001398789117 996687661 /nfs/dbraw/zinc/68/76/61/996687661.db2.gz FXEHQIHGRISQIE-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001398789117 996687665 /nfs/dbraw/zinc/68/76/65/996687665.db2.gz FXEHQIHGRISQIE-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccnn2C)C1 ZINC001502752276 1016056681 /nfs/dbraw/zinc/05/66/81/1016056681.db2.gz XHRSHZAQWSILTH-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccnn2C)C1 ZINC001502752276 1016056691 /nfs/dbraw/zinc/05/66/91/1016056691.db2.gz XHRSHZAQWSILTH-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccnn1C ZINC001399029047 996857500 /nfs/dbraw/zinc/85/75/00/996857500.db2.gz LVRRQPHXOVDWFO-IHRRRGAJSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccnn1C ZINC001399029047 996857511 /nfs/dbraw/zinc/85/75/11/996857511.db2.gz LVRRQPHXOVDWFO-IHRRRGAJSA-N 1 3 307.442 0.745 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001404312007 996957872 /nfs/dbraw/zinc/95/78/72/996957872.db2.gz CZBUXJJSLGJPRY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001404312007 996957886 /nfs/dbraw/zinc/95/78/86/996957886.db2.gz CZBUXJJSLGJPRY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCCC1 ZINC001399108813 996972779 /nfs/dbraw/zinc/97/27/79/996972779.db2.gz KGHGKGKIAOXTED-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCCC1 ZINC001399108813 996972795 /nfs/dbraw/zinc/97/27/95/996972795.db2.gz KGHGKGKIAOXTED-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001399115431 996984595 /nfs/dbraw/zinc/98/45/95/996984595.db2.gz WOFRLPSDJZIEAD-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001399115431 996984607 /nfs/dbraw/zinc/98/46/07/996984607.db2.gz WOFRLPSDJZIEAD-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC(C)(C)C ZINC001399123861 997002654 /nfs/dbraw/zinc/00/26/54/997002654.db2.gz SFTMSTHJSUCFIW-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC(C)(C)C ZINC001399123861 997002665 /nfs/dbraw/zinc/00/26/65/997002665.db2.gz SFTMSTHJSUCFIW-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001404362286 997038809 /nfs/dbraw/zinc/03/88/09/997038809.db2.gz KQVKNYOUKIKILG-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCN(C)C1=O ZINC001399161631 997040720 /nfs/dbraw/zinc/04/07/20/997040720.db2.gz LJMQROLALNUUKI-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001399269978 997141988 /nfs/dbraw/zinc/14/19/88/997141988.db2.gz DDRWJOGRPCTNON-CABCVRRESA-N 1 3 324.469 0.622 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001399273524 997144582 /nfs/dbraw/zinc/14/45/82/997144582.db2.gz UMVGHKZWHKGZKF-UONOGXRCSA-N 1 3 322.457 0.674 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)CN3CCCC3)C2)cn1 ZINC001404517748 997194284 /nfs/dbraw/zinc/19/42/84/997194284.db2.gz PFPCUKSPNSYVEG-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@@H](CCNC(=O)CN3CCCC3)C2)cn1 ZINC001404517748 997194288 /nfs/dbraw/zinc/19/42/88/997194288.db2.gz PFPCUKSPNSYVEG-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001404627076 997308447 /nfs/dbraw/zinc/30/84/47/997308447.db2.gz CXHQLHLQPMVKIO-KGLIPLIRSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001404627076 997308459 /nfs/dbraw/zinc/30/84/59/997308459.db2.gz CXHQLHLQPMVKIO-KGLIPLIRSA-N 1 3 324.469 0.241 20 0 DCADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001405277115 998048067 /nfs/dbraw/zinc/04/80/67/998048067.db2.gz YFBMLUPSHGJSAB-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001405290628 998068299 /nfs/dbraw/zinc/06/82/99/998068299.db2.gz LWTLGJOZMRZZLM-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)N(C)C ZINC001405290619 998069659 /nfs/dbraw/zinc/06/96/59/998069659.db2.gz LWTLGJOZMRZZLM-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC001467812354 1016200961 /nfs/dbraw/zinc/20/09/61/1016200961.db2.gz PDXFLZIXEFHZLN-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC001467812354 1016200972 /nfs/dbraw/zinc/20/09/72/1016200972.db2.gz PDXFLZIXEFHZLN-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C)C1CC1 ZINC001405800126 998572606 /nfs/dbraw/zinc/57/26/06/998572606.db2.gz UOIZEVIDQLBVSY-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1C ZINC001507329569 1016258272 /nfs/dbraw/zinc/25/82/72/1016258272.db2.gz WBPMIKHTLGDRMK-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001505537825 1016291873 /nfs/dbraw/zinc/29/18/73/1016291873.db2.gz NCFMWLHZYVDRTP-JXQTWKCFSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@H]1CCCNC1=O ZINC001401127219 1000212597 /nfs/dbraw/zinc/21/25/97/1000212597.db2.gz XBDHVHGCXZAZFG-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO COc1ccc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001418433797 1000215372 /nfs/dbraw/zinc/21/53/72/1000215372.db2.gz XAZYKTWIEOXZNR-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001418433797 1000215377 /nfs/dbraw/zinc/21/53/77/1000215377.db2.gz XAZYKTWIEOXZNR-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)on1 ZINC001401131892 1000216251 /nfs/dbraw/zinc/21/62/51/1000216251.db2.gz ACGBKPVILKKSSO-GFCCVEGCSA-N 1 3 306.410 0.921 20 0 DCADHO C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CNCC(N)=O ZINC001401307747 1000340788 /nfs/dbraw/zinc/34/07/88/1000340788.db2.gz GUWAMDZILOCCQF-TZMCWYRMSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1CNCC(N)=O ZINC001401313494 1000344312 /nfs/dbraw/zinc/34/43/12/1000344312.db2.gz SAVDVUKGFPEDLZ-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001401333450 1000357160 /nfs/dbraw/zinc/35/71/60/1000357160.db2.gz NRPGBIMBZZMYNK-AWEZNQCLSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1noc(CCCN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001418633661 1000409507 /nfs/dbraw/zinc/40/95/07/1000409507.db2.gz YZSIMLZOOLHHEI-CQSZACIVSA-N 1 3 323.441 0.843 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001418640749 1000412522 /nfs/dbraw/zinc/41/25/22/1000412522.db2.gz RAHAVXCPNIKORJ-BETUJISGSA-N 1 3 320.441 0.141 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)CCC1 ZINC001418679899 1000444184 /nfs/dbraw/zinc/44/41/84/1000444184.db2.gz CIIPCYFGAXJXPA-HDJSIYSDSA-N 1 3 320.441 0.247 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001401586377 1000522748 /nfs/dbraw/zinc/52/27/48/1000522748.db2.gz HXRQEIZIJDHTCF-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001401624617 1000562131 /nfs/dbraw/zinc/56/21/31/1000562131.db2.gz HBOLFPMOIPKZGS-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CCN1CC[NH+](CC2CCC2)CC1)C(=O)CN1CCCC1 ZINC001418915868 1000613915 /nfs/dbraw/zinc/61/39/15/1000613915.db2.gz SXVQLVIJYSHEFM-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401687145 1000626545 /nfs/dbraw/zinc/62/65/45/1000626545.db2.gz SNKHLDDNNWCGEC-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001401720593 1000657192 /nfs/dbraw/zinc/65/71/92/1000657192.db2.gz MIOYIEPDZYZDSC-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505682534 1016441875 /nfs/dbraw/zinc/44/18/75/1016441875.db2.gz TWFVQVUBZPKHNT-STQMWFEESA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001419192114 1000867846 /nfs/dbraw/zinc/86/78/46/1000867846.db2.gz BNBWMNGHWMFBPX-VNHYZAJKSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001419192114 1000867851 /nfs/dbraw/zinc/86/78/51/1000867851.db2.gz BNBWMNGHWMFBPX-VNHYZAJKSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001402046468 1000971203 /nfs/dbraw/zinc/97/12/03/1000971203.db2.gz ZQYGYWLDBZZLGS-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](NCC(=O)N1CCC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402051641 1000975395 /nfs/dbraw/zinc/97/53/95/1000975395.db2.gz SIYKTTZDHVOAGQ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)N1CCCCCC1 ZINC001419338860 1000986561 /nfs/dbraw/zinc/98/65/61/1000986561.db2.gz COGDVEGOOMDZJZ-GUYCJALGSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001402179221 1001089183 /nfs/dbraw/zinc/08/91/83/1001089183.db2.gz SUUMFZNGJXWPKN-CZUORRHYSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1)N(C)C ZINC001419496316 1001097232 /nfs/dbraw/zinc/09/72/32/1001097232.db2.gz DWOZEPOKXRZKDV-MHEUCROKSA-N 1 3 324.469 0.478 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001402186987 1001097633 /nfs/dbraw/zinc/09/76/33/1001097633.db2.gz FJWKUFJYTFKRJN-CJNGLKHVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCc1cc2n(n1)CCC2)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419545615 1001129808 /nfs/dbraw/zinc/12/98/08/1001129808.db2.gz QNPXKOWQNQFXND-KGLIPLIRSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@H](CNCc1cc2n(n1)CCC2)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419545615 1001129812 /nfs/dbraw/zinc/12/98/12/1001129812.db2.gz QNPXKOWQNQFXND-KGLIPLIRSA-N 1 3 319.453 0.623 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC12CCN([C@H](C)C(=O)NC)CC2 ZINC001402249636 1001138258 /nfs/dbraw/zinc/13/82/58/1001138258.db2.gz VAYZEICQQPBEID-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CCN([C@H](C)C(=O)NC)CC2 ZINC001402249636 1001138261 /nfs/dbraw/zinc/13/82/61/1001138261.db2.gz VAYZEICQQPBEID-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001419621669 1001175501 /nfs/dbraw/zinc/17/55/01/1001175501.db2.gz AOZXWWZCWPZDMX-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001419658894 1001203132 /nfs/dbraw/zinc/20/31/32/1001203132.db2.gz YDEQTPKMVMLLJC-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419669768 1001209816 /nfs/dbraw/zinc/20/98/16/1001209816.db2.gz DOMNNCAYSMBHCQ-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419669768 1001209821 /nfs/dbraw/zinc/20/98/21/1001209821.db2.gz DOMNNCAYSMBHCQ-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001402326244 1001218457 /nfs/dbraw/zinc/21/84/57/1001218457.db2.gz NLWJZWCOOFUTIC-GJZGRUSLSA-N 1 3 307.442 0.745 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001419748047 1001276568 /nfs/dbraw/zinc/27/65/68/1001276568.db2.gz MQBBENMXLNVXDR-UONOGXRCSA-N 1 3 315.458 0.353 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001402482675 1001351276 /nfs/dbraw/zinc/35/12/76/1001351276.db2.gz PWYVQRAEONZRDN-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](F)CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001402599793 1001433101 /nfs/dbraw/zinc/43/31/01/1001433101.db2.gz MAAPIYWCHKHMDY-KBPBESRZSA-N 1 3 313.417 0.647 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001402612867 1001441896 /nfs/dbraw/zinc/44/18/96/1001441896.db2.gz BEVSXBFDALZSOB-OAHLLOKOSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001402612867 1001441898 /nfs/dbraw/zinc/44/18/98/1001441898.db2.gz BEVSXBFDALZSOB-OAHLLOKOSA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001402759669 1001491668 /nfs/dbraw/zinc/49/16/68/1001491668.db2.gz UAIZQTSVCCSUGK-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+][C@H](C)COC)CC1 ZINC001402803715 1001510298 /nfs/dbraw/zinc/51/02/98/1001510298.db2.gz HWPXYFSEQASJIU-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001402895774 1001562099 /nfs/dbraw/zinc/56/20/99/1001562099.db2.gz VVBSUAYDXICZPD-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001402895774 1001562101 /nfs/dbraw/zinc/56/21/01/1001562101.db2.gz VVBSUAYDXICZPD-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCCN(C)C1=O ZINC001402925331 1001582874 /nfs/dbraw/zinc/58/28/74/1001582874.db2.gz GZAZXVXCNWLPMO-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001402931824 1001586964 /nfs/dbraw/zinc/58/69/64/1001586964.db2.gz IWFFNYWGERJSNR-RBSFLKMASA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001402931824 1001586967 /nfs/dbraw/zinc/58/69/67/1001586967.db2.gz IWFFNYWGERJSNR-RBSFLKMASA-N 1 3 313.442 0.011 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NC)C1 ZINC001402956446 1001601942 /nfs/dbraw/zinc/60/19/42/1001601942.db2.gz ULTUQJKAVAPXGC-JXQTWKCFSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001402991183 1001621246 /nfs/dbraw/zinc/62/12/46/1001621246.db2.gz FQSOMZBHDOPXQU-STQMWFEESA-N 1 3 312.458 0.478 20 0 DCADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CCn1cncn1 ZINC001402990052 1001621591 /nfs/dbraw/zinc/62/15/91/1001621591.db2.gz CXOOETZDQMQFOF-UONOGXRCSA-N 1 3 324.473 0.739 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cncn1C ZINC001403025931 1001637705 /nfs/dbraw/zinc/63/77/05/1001637705.db2.gz XPDOWQFBGMWHET-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CNCc2nccn2C)C1 ZINC001419988792 1001746838 /nfs/dbraw/zinc/74/68/38/1001746838.db2.gz DLZHGXBRHHHEHK-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNCc2nccn2C)C1 ZINC001419988792 1001746840 /nfs/dbraw/zinc/74/68/40/1001746840.db2.gz DLZHGXBRHHHEHK-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001403273705 1001772780 /nfs/dbraw/zinc/77/27/80/1001772780.db2.gz HFDZTWLNVHFYJV-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO COc1cc(CN[C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)on1 ZINC001424615136 1001851841 /nfs/dbraw/zinc/85/18/41/1001851841.db2.gz GKIOOARBKPTPEQ-LBPRGKRZSA-N 1 3 322.409 0.763 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cncn1 ZINC001424698418 1001927767 /nfs/dbraw/zinc/92/77/67/1001927767.db2.gz LJXHBPRVQHSOJD-OAHLLOKOSA-N 1 3 322.457 0.541 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cncn1 ZINC001424698418 1001927778 /nfs/dbraw/zinc/92/77/78/1001927778.db2.gz LJXHBPRVQHSOJD-OAHLLOKOSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001403419937 1001947489 /nfs/dbraw/zinc/94/74/89/1001947489.db2.gz ISZIKEWUTKGGRI-MGPQQGTHSA-N 1 3 312.458 0.336 20 0 DCADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403498503 1002038274 /nfs/dbraw/zinc/03/82/74/1002038274.db2.gz GWASFMSDCWPTDY-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001403498503 1002038285 /nfs/dbraw/zinc/03/82/85/1002038285.db2.gz GWASFMSDCWPTDY-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CC[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001420228342 1002078978 /nfs/dbraw/zinc/07/89/78/1002078978.db2.gz NCPBUHXHNNLJCO-CHWSQXEVSA-N 1 3 324.469 0.622 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420240030 1002098998 /nfs/dbraw/zinc/09/89/98/1002098998.db2.gz DVZFRWHUYAXYSN-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420240030 1002099008 /nfs/dbraw/zinc/09/90/08/1002099008.db2.gz DVZFRWHUYAXYSN-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C ZINC001424897603 1002126575 /nfs/dbraw/zinc/12/65/75/1002126575.db2.gz IRTGUNPQWOMGSL-ZDUSSCGKSA-N 1 3 314.474 0.535 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)C1 ZINC001505804601 1016573912 /nfs/dbraw/zinc/57/39/12/1016573912.db2.gz MTWPMVMXHTZSMC-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)C1 ZINC001505804601 1016573927 /nfs/dbraw/zinc/57/39/27/1016573927.db2.gz MTWPMVMXHTZSMC-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001420284070 1002165102 /nfs/dbraw/zinc/16/51/02/1002165102.db2.gz MHFPFGKOLFVTIK-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001420284070 1002165107 /nfs/dbraw/zinc/16/51/07/1002165107.db2.gz MHFPFGKOLFVTIK-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001403591830 1002178676 /nfs/dbraw/zinc/17/86/76/1002178676.db2.gz QCWCZCGUVOSXMW-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001403596855 1002186991 /nfs/dbraw/zinc/18/69/91/1002186991.db2.gz HRMSMYWKWJWUBQ-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420300885 1002188365 /nfs/dbraw/zinc/18/83/65/1002188365.db2.gz SNKHLDDNNWCGEC-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)N(C)CCn1cncn1 ZINC001424968139 1002193201 /nfs/dbraw/zinc/19/32/01/1002193201.db2.gz RPFSONLBXKXKRT-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)N(C)CCn1cncn1 ZINC001424968139 1002193206 /nfs/dbraw/zinc/19/32/06/1002193206.db2.gz RPFSONLBXKXKRT-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)N(C)CCn1cncn1 ZINC001424968135 1002194041 /nfs/dbraw/zinc/19/40/41/1002194041.db2.gz RPFSONLBXKXKRT-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)N(C)CCn1cncn1 ZINC001424968135 1002194049 /nfs/dbraw/zinc/19/40/49/1002194049.db2.gz RPFSONLBXKXKRT-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001420345820 1002257244 /nfs/dbraw/zinc/25/72/44/1002257244.db2.gz SYUAKVKNTHHHKV-MXWKQRLJSA-N 1 3 313.364 0.734 20 0 DCADHO C[C@H](CN[C@H]1CCN(C2CCC2)C1=O)NC(=O)CC[NH+](C)C ZINC001420343241 1002253716 /nfs/dbraw/zinc/25/37/16/1002253716.db2.gz YHNYAZQZVIVAHU-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425110143 1002368032 /nfs/dbraw/zinc/36/80/32/1002368032.db2.gz XAXXYTSWXMDBBD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425110143 1002368042 /nfs/dbraw/zinc/36/80/42/1002368042.db2.gz XAXXYTSWXMDBBD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccnn1C ZINC001420423376 1002398657 /nfs/dbraw/zinc/39/86/57/1002398657.db2.gz MPXZZEUHMJNMLP-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccnn1C ZINC001420423376 1002398665 /nfs/dbraw/zinc/39/86/65/1002398665.db2.gz MPXZZEUHMJNMLP-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001425153025 1002404758 /nfs/dbraw/zinc/40/47/58/1002404758.db2.gz OZLKIWQWNYRMLT-OCCSQVGLSA-N 1 3 323.441 0.549 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001403737874 1002442529 /nfs/dbraw/zinc/44/25/29/1002442529.db2.gz QJAFFWWWDGWMPI-KBPBESRZSA-N 1 3 320.441 0.155 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001403737874 1002442532 /nfs/dbraw/zinc/44/25/32/1002442532.db2.gz QJAFFWWWDGWMPI-KBPBESRZSA-N 1 3 320.441 0.155 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001420534253 1002571078 /nfs/dbraw/zinc/57/10/78/1002571078.db2.gz GUPVZWVKMIHDRQ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001403824382 1002574918 /nfs/dbraw/zinc/57/49/18/1002574918.db2.gz LFVCVOHQVDTMKH-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C(C)(C)C1 ZINC001403832842 1002595996 /nfs/dbraw/zinc/59/59/96/1002595996.db2.gz WGVWFNMDVSAPPZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C(C)(C)C1 ZINC001403832842 1002596010 /nfs/dbraw/zinc/59/60/10/1002596010.db2.gz WGVWFNMDVSAPPZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](NCC(=O)NC3CC3)C(C)(C)C2)C1 ZINC001403836878 1002602503 /nfs/dbraw/zinc/60/25/03/1002602503.db2.gz OUCOMIIWXBNWIB-OCCSQVGLSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NCC(=O)NC3CC3)C(C)(C)C2)C1 ZINC001403836878 1002602508 /nfs/dbraw/zinc/60/25/08/1002602508.db2.gz OUCOMIIWXBNWIB-OCCSQVGLSA-N 1 3 322.453 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@@H](C)C(N)=O)C(C)(C)C ZINC001403960246 1002800483 /nfs/dbraw/zinc/80/04/83/1002800483.db2.gz NLQLCQZXIJDDKP-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@@H](C)C(N)=O)C(C)(C)C ZINC001403960246 1002800493 /nfs/dbraw/zinc/80/04/93/1002800493.db2.gz NLQLCQZXIJDDKP-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420751005 1002913454 /nfs/dbraw/zinc/91/34/54/1002913454.db2.gz SPMJPQAIRJYCPV-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC(=O)N(C)C ZINC001425662180 1002938974 /nfs/dbraw/zinc/93/89/74/1002938974.db2.gz HRDXGBTZWTWQPL-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@H]1CCN(C)C1=O ZINC001425665321 1002941837 /nfs/dbraw/zinc/94/18/37/1002941837.db2.gz JQFGDKHUETZVOL-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(=O)NC1CC1 ZINC001425706660 1002981746 /nfs/dbraw/zinc/98/17/46/1002981746.db2.gz ZEURTRXNBZFWIP-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001420945716 1003163231 /nfs/dbraw/zinc/16/32/31/1003163231.db2.gz FNNYGCJKZXSJFQ-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001420945716 1003163236 /nfs/dbraw/zinc/16/32/36/1003163236.db2.gz FNNYGCJKZXSJFQ-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CCCC1)N(C)C ZINC001405878523 1003167115 /nfs/dbraw/zinc/16/71/15/1003167115.db2.gz SPIHSKGXWAYOBE-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001420976222 1003193957 /nfs/dbraw/zinc/19/39/57/1003193957.db2.gz LRPSYHYGTWBXQH-MLGOLLRUSA-N 1 3 315.433 0.818 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)CC(C)C ZINC001405956335 1003222064 /nfs/dbraw/zinc/22/20/64/1003222064.db2.gz HUPVTYGVGZRCFE-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001405973842 1003233213 /nfs/dbraw/zinc/23/32/13/1003233213.db2.gz OOJQZRJFJKXXGR-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001425902838 1003243348 /nfs/dbraw/zinc/24/33/48/1003243348.db2.gz CQVXOENPVUEAPJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C2CC2)CN1C(=O)CCC[NH+](C)C ZINC001425906817 1003245859 /nfs/dbraw/zinc/24/58/59/1003245859.db2.gz PGXGDXOEWPJJAN-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC001425972197 1003295502 /nfs/dbraw/zinc/29/55/02/1003295502.db2.gz LTFUQPZSXLBDGY-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC001425972184 1003295660 /nfs/dbraw/zinc/29/56/60/1003295660.db2.gz LTFUQPZSXLBDGY-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001426104887 1003439181 /nfs/dbraw/zinc/43/91/81/1003439181.db2.gz VICOLPGNDLDSGN-HNNXBMFYSA-N 1 3 315.458 0.116 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001426126820 1003454411 /nfs/dbraw/zinc/45/44/11/1003454411.db2.gz RTRLTJCFGRSLNO-NFOMZHRRSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001426126820 1003454414 /nfs/dbraw/zinc/45/44/14/1003454414.db2.gz RTRLTJCFGRSLNO-NFOMZHRRSA-N 1 3 324.469 0.384 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001406212424 1003482673 /nfs/dbraw/zinc/48/26/73/1003482673.db2.gz KSOBZOBEHMRGEG-ZIAGYGMSSA-N 1 3 315.458 0.353 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001406250970 1003525848 /nfs/dbraw/zinc/52/58/48/1003525848.db2.gz UYNSNEMMKQVPGY-HOTGVXAUSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001406250970 1003525854 /nfs/dbraw/zinc/52/58/54/1003525854.db2.gz UYNSNEMMKQVPGY-HOTGVXAUSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001406250966 1003527023 /nfs/dbraw/zinc/52/70/23/1003527023.db2.gz UYNSNEMMKQVPGY-CVEARBPZSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001406250966 1003527024 /nfs/dbraw/zinc/52/70/24/1003527024.db2.gz UYNSNEMMKQVPGY-CVEARBPZSA-N 1 3 320.437 0.523 20 0 DCADHO Cc1ccc(F)c(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001406275971 1003559981 /nfs/dbraw/zinc/55/99/81/1003559981.db2.gz CWGYPMGASLIEOI-DZGCQCFKSA-N 1 3 323.412 0.653 20 0 DCADHO Cc1ccc(F)c(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001406275971 1003559988 /nfs/dbraw/zinc/55/99/88/1003559988.db2.gz CWGYPMGASLIEOI-DZGCQCFKSA-N 1 3 323.412 0.653 20 0 DCADHO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C/C=C\Cl)C1 ZINC001421384248 1003611151 /nfs/dbraw/zinc/61/11/51/1003611151.db2.gz FDNAAFHDNGPACY-PKXJPQMGSA-N 1 3 301.818 0.388 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001426162859 1003629295 /nfs/dbraw/zinc/62/92/95/1003629295.db2.gz KNLMOHULLAVJFZ-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001406361586 1003638800 /nfs/dbraw/zinc/63/88/00/1003638800.db2.gz GHJSPSHFZDUEFB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001406480460 1003753136 /nfs/dbraw/zinc/75/31/36/1003753136.db2.gz KLWMKTLAJHYYJD-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001428687909 1004113265 /nfs/dbraw/zinc/11/32/65/1004113265.db2.gz RKTZPJKWFSGQMF-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001428744153 1004145263 /nfs/dbraw/zinc/14/52/63/1004145263.db2.gz TTWSQIRWBQUITR-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428744153 1004145267 /nfs/dbraw/zinc/14/52/67/1004145267.db2.gz TTWSQIRWBQUITR-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001428823276 1004197966 /nfs/dbraw/zinc/19/79/66/1004197966.db2.gz KUNQLTJOEXHARY-SOUVJXGZSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001427376621 1004353616 /nfs/dbraw/zinc/35/36/16/1004353616.db2.gz GOQHDJBQXNYMFF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001427376621 1004353620 /nfs/dbraw/zinc/35/36/20/1004353620.db2.gz GOQHDJBQXNYMFF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001407255248 1004498057 /nfs/dbraw/zinc/49/80/57/1004498057.db2.gz LDJFUSUYVPXJBL-KBPBESRZSA-N 1 3 312.458 0.338 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CCC1)C2 ZINC001407476901 1004677656 /nfs/dbraw/zinc/67/76/56/1004677656.db2.gz PNVLSBSFDLIVPC-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Cc1c[nH]cn1 ZINC001429600217 1004690135 /nfs/dbraw/zinc/69/01/35/1004690135.db2.gz OYVFLTFWZJUYCT-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)Cc1c[nH]cn1 ZINC001429600217 1004690139 /nfs/dbraw/zinc/69/01/39/1004690139.db2.gz OYVFLTFWZJUYCT-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001408071896 1005018088 /nfs/dbraw/zinc/01/80/88/1005018088.db2.gz SVVKOMADUKJUQI-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001408409702 1005193455 /nfs/dbraw/zinc/19/34/55/1005193455.db2.gz GNGPQGTUPJQQPI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001414781692 1005401364 /nfs/dbraw/zinc/40/13/64/1005401364.db2.gz JFRNQLHDOLOBDO-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001414781692 1005401365 /nfs/dbraw/zinc/40/13/65/1005401365.db2.gz JFRNQLHDOLOBDO-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO O[C@H](Cn1cccn1)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473876029 1016982991 /nfs/dbraw/zinc/98/29/91/1016982991.db2.gz GNBGWJBGGIOZJT-INIZCTEOSA-N 1 3 322.453 0.557 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCc1cnn(C)c1 ZINC001417848458 1005903649 /nfs/dbraw/zinc/90/36/49/1005903649.db2.gz DUZNYFQWWFBSPM-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)CC)C1)N(C)C ZINC001418046445 1005975117 /nfs/dbraw/zinc/97/51/17/1005975117.db2.gz ZCFUJEOYHHCYMT-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438644156 1005980911 /nfs/dbraw/zinc/98/09/11/1005980911.db2.gz QADUFVNIJUMJPU-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001418072229 1006002526 /nfs/dbraw/zinc/00/25/26/1006002526.db2.gz WCIZBZAMLURNIS-SYQHCUMBSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001438721439 1006069141 /nfs/dbraw/zinc/06/91/41/1006069141.db2.gz LJXOWSGPDCVFIO-OLZOCXBDSA-N 1 3 322.457 0.816 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001438721439 1006069151 /nfs/dbraw/zinc/06/91/51/1006069151.db2.gz LJXOWSGPDCVFIO-OLZOCXBDSA-N 1 3 322.457 0.816 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001418140221 1006098020 /nfs/dbraw/zinc/09/80/20/1006098020.db2.gz AZDLHNMKJNWYEV-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001418218431 1006193092 /nfs/dbraw/zinc/19/30/92/1006193092.db2.gz BDLDRLPKCCGWPU-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001418218431 1006193101 /nfs/dbraw/zinc/19/31/01/1006193101.db2.gz BDLDRLPKCCGWPU-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001418221934 1006196180 /nfs/dbraw/zinc/19/61/80/1006196180.db2.gz OPDWSLAHUOIGHI-HOCLYGCPSA-N 1 3 321.469 0.930 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N1CCCC1 ZINC001418244590 1006238918 /nfs/dbraw/zinc/23/89/18/1006238918.db2.gz YWEPZLBKWKNUMW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N1CCCC1 ZINC001418244590 1006238929 /nfs/dbraw/zinc/23/89/29/1006238929.db2.gz YWEPZLBKWKNUMW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001436672937 1006249177 /nfs/dbraw/zinc/24/91/77/1006249177.db2.gz RYSIOYWIVBWORN-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001418299963 1006332570 /nfs/dbraw/zinc/33/25/70/1006332570.db2.gz PXKIAWHVIYONTE-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001437017226 1006533533 /nfs/dbraw/zinc/53/35/33/1006533533.db2.gz CLOFQVSDSKXJOM-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001439182881 1006552010 /nfs/dbraw/zinc/55/20/10/1006552010.db2.gz VQGWNKOUZCDVLJ-CHWSQXEVSA-N 1 3 314.474 0.724 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001437052695 1006557023 /nfs/dbraw/zinc/55/70/23/1006557023.db2.gz NEWZARWFHNOULU-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001439246469 1006624148 /nfs/dbraw/zinc/62/41/48/1006624148.db2.gz SRFWZBUFTMOCAO-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cn1 ZINC001439257400 1006630164 /nfs/dbraw/zinc/63/01/64/1006630164.db2.gz ZAOJDZQKMWPUJT-OLZOCXBDSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)cn1 ZINC001439257400 1006630170 /nfs/dbraw/zinc/63/01/70/1006630170.db2.gz ZAOJDZQKMWPUJT-OLZOCXBDSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001437204166 1006701309 /nfs/dbraw/zinc/70/13/09/1006701309.db2.gz SQYNPTZKGDTYSJ-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN[C@@H](C)c2nncn2C)C1 ZINC001437312259 1006830209 /nfs/dbraw/zinc/83/02/09/1006830209.db2.gz QWLUEWGPRFGLMG-UONOGXRCSA-N 1 3 322.457 0.656 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN[C@@H](C)c2nncn2C)C1 ZINC001437312259 1006830220 /nfs/dbraw/zinc/83/02/20/1006830220.db2.gz QWLUEWGPRFGLMG-UONOGXRCSA-N 1 3 322.457 0.656 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2ccnn2C)C2CC2)C1 ZINC001439479835 1006907061 /nfs/dbraw/zinc/90/70/61/1006907061.db2.gz ZSMDIMVTXQDNEK-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1nnsc1CN[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437416544 1006934728 /nfs/dbraw/zinc/93/47/28/1006934728.db2.gz DTKTYSQRTXQCDD-NSHDSACASA-N 1 3 323.466 0.927 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001439685049 1007135541 /nfs/dbraw/zinc/13/55/41/1007135541.db2.gz NGKCVINDFIKFSJ-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001439685049 1007135550 /nfs/dbraw/zinc/13/55/50/1007135550.db2.gz NGKCVINDFIKFSJ-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001439788860 1007200160 /nfs/dbraw/zinc/20/01/60/1007200160.db2.gz WEGNITQSFUVUGZ-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001453392566 1007450976 /nfs/dbraw/zinc/45/09/76/1007450976.db2.gz QQXDXDRVEFXJOY-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001453392566 1007450979 /nfs/dbraw/zinc/45/09/79/1007450979.db2.gz QQXDXDRVEFXJOY-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001437843665 1007455704 /nfs/dbraw/zinc/45/57/04/1007455704.db2.gz JWAWULZTLJBCCG-JSGCOSHPSA-N 1 3 312.458 0.288 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001437998560 1007572847 /nfs/dbraw/zinc/57/28/47/1007572847.db2.gz IOGHDKNUWODNMC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001437998560 1007572855 /nfs/dbraw/zinc/57/28/55/1007572855.db2.gz IOGHDKNUWODNMC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[C@H](N2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001440395544 1007725396 /nfs/dbraw/zinc/72/53/96/1007725396.db2.gz NNISWHVJLIPMNC-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1c(C)nnn1CC ZINC001438367097 1007861094 /nfs/dbraw/zinc/86/10/94/1007861094.db2.gz MFTYNJDIOOMCMS-ZIAGYGMSSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1c(C)nnn1CC ZINC001438367097 1007861100 /nfs/dbraw/zinc/86/11/00/1007861100.db2.gz MFTYNJDIOOMCMS-ZIAGYGMSSA-N 1 3 322.457 0.543 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001438441257 1007910644 /nfs/dbraw/zinc/91/06/44/1007910644.db2.gz YZIIAMIJOFUZNU-MGPQQGTHSA-N 1 3 324.469 0.622 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001438596413 1008019099 /nfs/dbraw/zinc/01/90/99/1008019099.db2.gz VQKAUXUATCYTCD-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001438612408 1008025186 /nfs/dbraw/zinc/02/51/86/1008025186.db2.gz JEXCJNRTARBPJV-ZDUSSCGKSA-N 1 3 324.425 0.287 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001441092090 1008216612 /nfs/dbraw/zinc/21/66/12/1008216612.db2.gz LCEGCIXRMHMPPE-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001441160758 1008246854 /nfs/dbraw/zinc/24/68/54/1008246854.db2.gz OEJWDFMZYYTBQH-KGLIPLIRSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441296130 1008310734 /nfs/dbraw/zinc/31/07/34/1008310734.db2.gz JGOSSKWNIVYTTP-UONOGXRCSA-N 1 3 322.453 0.126 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1)C(N)=O ZINC001441342371 1008327382 /nfs/dbraw/zinc/32/73/82/1008327382.db2.gz ZSGSQPDJRWFUGK-BFHYXJOUSA-N 1 3 312.458 0.561 20 0 DCADHO Cc1nnsc1CNC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441372953 1008337492 /nfs/dbraw/zinc/33/74/92/1008337492.db2.gz WSTGMKBOWOQGPF-HAQNSBGRSA-N 1 3 311.455 0.783 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441422264 1008351061 /nfs/dbraw/zinc/35/10/61/1008351061.db2.gz ZWSJZCIHZDJWBP-LXTVHRRPSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N(C)CC1CC1 ZINC001441657069 1008443985 /nfs/dbraw/zinc/44/39/85/1008443985.db2.gz KJAKUXKOHOTNIX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001441825066 1008523644 /nfs/dbraw/zinc/52/36/44/1008523644.db2.gz MIWGNQOFHAVAOB-DZGCQCFKSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001441844968 1008560265 /nfs/dbraw/zinc/56/02/65/1008560265.db2.gz XOAVJELQHMEXLQ-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001441847807 1008564247 /nfs/dbraw/zinc/56/42/47/1008564247.db2.gz YPDKUUQOTZCIMS-WFASDCNBSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001453542826 1008569714 /nfs/dbraw/zinc/56/97/14/1008569714.db2.gz YMGHKGBPJQCDQT-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccnn1C ZINC001421446056 1008600680 /nfs/dbraw/zinc/60/06/80/1008600680.db2.gz ALOZZKLCSCGMMH-GJZGRUSLSA-N 1 3 321.469 0.789 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001441935320 1008675476 /nfs/dbraw/zinc/67/54/76/1008675476.db2.gz JOCVVHREVAZDLM-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001441955569 1008704740 /nfs/dbraw/zinc/70/47/40/1008704740.db2.gz VCCGZTPLASXPAE-UKRRQHHQSA-N 1 3 321.469 0.936 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001421538922 1008705758 /nfs/dbraw/zinc/70/57/58/1008705758.db2.gz DCGUTRNMFTUWEX-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001421555097 1008718288 /nfs/dbraw/zinc/71/82/88/1008718288.db2.gz XMBCKWRQEIVUAJ-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001421583524 1008757854 /nfs/dbraw/zinc/75/78/54/1008757854.db2.gz OMLBEIHHMXKTCK-GXTWGEPZSA-N 1 3 321.425 0.434 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001454053079 1008880625 /nfs/dbraw/zinc/88/06/25/1008880625.db2.gz GOQHDJBQXNYMFF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001454053079 1008880633 /nfs/dbraw/zinc/88/06/33/1008880633.db2.gz GOQHDJBQXNYMFF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442054641 1008893981 /nfs/dbraw/zinc/89/39/81/1008893981.db2.gz SRBVWDIDFCFOQG-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442054641 1008893995 /nfs/dbraw/zinc/89/39/95/1008893995.db2.gz SRBVWDIDFCFOQG-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001421708196 1008967908 /nfs/dbraw/zinc/96/79/08/1008967908.db2.gz UGLQXDHINXYZSN-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001433605575 1008991878 /nfs/dbraw/zinc/99/18/78/1008991878.db2.gz RMQJFUGCUQXYEI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001454325972 1009076152 /nfs/dbraw/zinc/07/61/52/1009076152.db2.gz GKFWECLLZWIVJH-BIQWYFBQSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001421909575 1009249635 /nfs/dbraw/zinc/24/96/35/1009249635.db2.gz XAHLTXXZVZJDMT-DOMZBBRYSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001454991446 1009430161 /nfs/dbraw/zinc/43/01/61/1009430161.db2.gz ZZCAUPCQXNFOLJ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CC(C)(C)CNC(=O)CC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001442603291 1009510324 /nfs/dbraw/zinc/51/03/24/1009510324.db2.gz BRDVWTMXDHUEHA-UHFFFAOYSA-N 1 3 323.441 0.505 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCc2cnn(C)c2)CC[N@@H+]1C ZINC001422168877 1009600907 /nfs/dbraw/zinc/60/09/07/1009600907.db2.gz YZNXVWBHOFDJRK-GDBMZVCRSA-N 1 3 321.469 0.693 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCc2cnn(C)c2)CC[N@H+]1C ZINC001422168877 1009600915 /nfs/dbraw/zinc/60/09/15/1009600915.db2.gz YZNXVWBHOFDJRK-GDBMZVCRSA-N 1 3 321.469 0.693 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001422263666 1009730171 /nfs/dbraw/zinc/73/01/71/1009730171.db2.gz FQBHZOYZZXHUMB-UHFFFAOYSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCn3cncn3)C2)CCC1 ZINC001442863720 1009856997 /nfs/dbraw/zinc/85/69/97/1009856997.db2.gz LYEZTXYPFXDHAP-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)CCC1 ZINC001442863720 1009857010 /nfs/dbraw/zinc/85/70/10/1009857010.db2.gz LYEZTXYPFXDHAP-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)CN(C)C(C)C ZINC001455627175 1009869085 /nfs/dbraw/zinc/86/90/85/1009869085.db2.gz KJJKQRYKHJBMAS-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001442906734 1009921149 /nfs/dbraw/zinc/92/11/49/1009921149.db2.gz MYAZVCCLBOCZNS-OAHLLOKOSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001442906734 1009921157 /nfs/dbraw/zinc/92/11/57/1009921157.db2.gz MYAZVCCLBOCZNS-OAHLLOKOSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)NCC(=O)N(C)C ZINC001422354406 1009935548 /nfs/dbraw/zinc/93/55/48/1009935548.db2.gz QHAKSZRXCASADE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)NCC(=O)NC1CC1 ZINC001422355374 1009936833 /nfs/dbraw/zinc/93/68/33/1009936833.db2.gz WQVIIGYIXYJMSB-QWHCGFSZSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001443334602 1010341542 /nfs/dbraw/zinc/34/15/42/1010341542.db2.gz JGMMTDMIBDKSPU-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001443614733 1010537825 /nfs/dbraw/zinc/53/78/25/1010537825.db2.gz NHGNBUNACBAYPI-GJZGRUSLSA-N 1 3 309.454 0.803 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422730138 1010539822 /nfs/dbraw/zinc/53/98/22/1010539822.db2.gz NQSXCQZLJQYBGO-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422730138 1010539831 /nfs/dbraw/zinc/53/98/31/1010539831.db2.gz NQSXCQZLJQYBGO-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)NC)C[C@@H]2C1 ZINC001422869682 1010687346 /nfs/dbraw/zinc/68/73/46/1010687346.db2.gz GOSTYLMJMXMTJX-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)NC)C[C@@H]2C1 ZINC001422869682 1010687351 /nfs/dbraw/zinc/68/73/51/1010687351.db2.gz GOSTYLMJMXMTJX-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](C[N@H+](C)CCO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422881974 1010696505 /nfs/dbraw/zinc/69/65/05/1010696505.db2.gz XRZMZZUDSRDUCF-DOMZBBRYSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@H](C[N@@H+](C)CCO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422881974 1010696506 /nfs/dbraw/zinc/69/65/06/1010696506.db2.gz XRZMZZUDSRDUCF-DOMZBBRYSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001422914925 1010735047 /nfs/dbraw/zinc/73/50/47/1010735047.db2.gz PGCGOCCINAPHEV-KKUMJFAQSA-N 1 3 324.469 0.337 20 0 DCADHO CCCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001443919965 1010749548 /nfs/dbraw/zinc/74/95/48/1010749548.db2.gz SCFJXXDVNAFFSZ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)C[NH2+][C@H](CCNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001422955677 1010766431 /nfs/dbraw/zinc/76/64/31/1010766431.db2.gz JVSTVTOJCKAYML-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001422987582 1010790800 /nfs/dbraw/zinc/79/08/00/1010790800.db2.gz MXPPTFFFDYGCIN-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001422987582 1010790804 /nfs/dbraw/zinc/79/08/04/1010790804.db2.gz MXPPTFFFDYGCIN-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001444001292 1010797141 /nfs/dbraw/zinc/79/71/41/1010797141.db2.gz IHPHPOUGTBBBSM-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1n[nH]c(C(C)C)n1 ZINC001444032407 1010811990 /nfs/dbraw/zinc/81/19/90/1010811990.db2.gz FXVSWRFSAYPWSE-QWHCGFSZSA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C(C)C)n1 ZINC001444032407 1010811991 /nfs/dbraw/zinc/81/19/91/1010811991.db2.gz FXVSWRFSAYPWSE-QWHCGFSZSA-N 1 3 322.457 0.864 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001423060057 1010851312 /nfs/dbraw/zinc/85/13/12/1010851312.db2.gz NDVWAXUEHVVDFR-LSDHHAIUSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001423060057 1010851318 /nfs/dbraw/zinc/85/13/18/1010851318.db2.gz NDVWAXUEHVVDFR-LSDHHAIUSA-N 1 3 324.469 0.195 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CC[C@@H]([NH2+][C@@H](CC)C(N)=O)CC1)N(C)C ZINC001444167384 1010890635 /nfs/dbraw/zinc/89/06/35/1010890635.db2.gz LXMLQZNYKSYCNG-XDQVBPFNSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001423110173 1010895976 /nfs/dbraw/zinc/89/59/76/1010895976.db2.gz QTSFPYKZQIPVMQ-OLZOCXBDSA-N 1 3 324.469 0.432 20 0 DCADHO O=C(NC[C@@H](CO)NCCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001423290393 1011051423 /nfs/dbraw/zinc/05/14/23/1011051423.db2.gz FFKQSOJUQXKOPH-JTQLQIEISA-N 1 3 309.332 0.101 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2ccnn2C)CC1)N(C)C ZINC001423295161 1011055872 /nfs/dbraw/zinc/05/58/72/1011055872.db2.gz VTXPBQGHXSZNAW-AWEZNQCLSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001423356801 1011100724 /nfs/dbraw/zinc/10/07/24/1011100724.db2.gz VNGHIIPZXGJDLI-CKEIUWERSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001423421180 1011137870 /nfs/dbraw/zinc/13/78/70/1011137870.db2.gz WEWWSHQXABHZOM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001444708963 1011141513 /nfs/dbraw/zinc/14/15/13/1011141513.db2.gz MMMLOFWMQKFHLC-NEPJUHHUSA-N 1 3 320.441 0.706 20 0 DCADHO C[C@H](C[NH2+]C[C@H]1CCc2ncnn21)N(C)C(=O)CN1CCCC1 ZINC001444733040 1011151670 /nfs/dbraw/zinc/15/16/70/1011151670.db2.gz SJBUKBNDPFVVAL-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444737887 1011153416 /nfs/dbraw/zinc/15/34/16/1011153416.db2.gz YAAQEJOICPSZEN-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444737887 1011153420 /nfs/dbraw/zinc/15/34/20/1011153420.db2.gz YAAQEJOICPSZEN-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444780342 1011170902 /nfs/dbraw/zinc/17/09/02/1011170902.db2.gz VQSAERGIWGZFSP-CABCVRRESA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001423611186 1011344524 /nfs/dbraw/zinc/34/45/24/1011344524.db2.gz WUTHCZHLKUIVEG-CHWSQXEVSA-N 1 3 312.458 0.465 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001423687572 1011423317 /nfs/dbraw/zinc/42/33/17/1011423317.db2.gz OXUJKSNQWTVJJC-RUXDESIVSA-N 1 3 313.442 0.057 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001423691406 1011426239 /nfs/dbraw/zinc/42/62/39/1011426239.db2.gz CFNMVSMAKVLFLI-UHFFFAOYSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445176582 1011487056 /nfs/dbraw/zinc/48/70/56/1011487056.db2.gz GABJGLZZYRBZOI-FVQBIDKESA-N 1 3 320.437 0.297 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445176582 1011487068 /nfs/dbraw/zinc/48/70/68/1011487068.db2.gz GABJGLZZYRBZOI-FVQBIDKESA-N 1 3 320.437 0.297 20 0 DCADHO O=C(NC[C@H](O)CNCc1cncs1)C12CCC[NH+]1CCC2 ZINC001445195677 1011509181 /nfs/dbraw/zinc/50/91/81/1011509181.db2.gz FUSYBUMQTIHGRG-GFCCVEGCSA-N 1 3 324.450 0.338 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001445213320 1011531340 /nfs/dbraw/zinc/53/13/40/1011531340.db2.gz RGHIRSYDJJERBF-HZPDHXFCSA-N 1 3 307.438 0.902 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001445249032 1011574729 /nfs/dbraw/zinc/57/47/29/1011574729.db2.gz RGHIRSYDJJERBF-HOTGVXAUSA-N 1 3 307.438 0.902 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001457205794 1011610602 /nfs/dbraw/zinc/61/06/02/1011610602.db2.gz GDLJWRBYPOUXRD-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001457205794 1011610606 /nfs/dbraw/zinc/61/06/06/1011610606.db2.gz GDLJWRBYPOUXRD-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001535035780 1011778059 /nfs/dbraw/zinc/77/80/59/1011778059.db2.gz LLVMNOOLKFAEHJ-ZDUSSCGKSA-N 1 3 307.398 0.011 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001535035780 1011778070 /nfs/dbraw/zinc/77/80/70/1011778070.db2.gz LLVMNOOLKFAEHJ-ZDUSSCGKSA-N 1 3 307.398 0.011 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553437942 1011976143 /nfs/dbraw/zinc/97/61/43/1011976143.db2.gz DSUXJYKBCKZZIT-GJZGRUSLSA-N 1 3 324.469 0.738 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)N[C@@H]3CCN(C4CC4)C3)C[C@@H]2[NH3+])c1 ZINC001553444728 1011979815 /nfs/dbraw/zinc/97/98/15/1011979815.db2.gz AGRWQUPBYTZZHT-BNOWGMLFSA-N 1 3 318.425 0.093 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553446877 1011982558 /nfs/dbraw/zinc/98/25/58/1011982558.db2.gz HMZGEQZAVBCZIQ-TZMCWYRMSA-N 1 3 308.426 0.291 20 0 DCADHO C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)[C@@H]1CCC[NH2+]C1 ZINC001553493810 1012026179 /nfs/dbraw/zinc/02/61/79/1012026179.db2.gz COVJXSAACGUYLB-ZJIFWQFVSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)[C@H]1CCC[NH2+]C1 ZINC001553493487 1012026329 /nfs/dbraw/zinc/02/63/29/1012026329.db2.gz COVJXSAACGUYLB-CAOSSQGBSA-N 1 3 324.469 0.615 20 0 DCADHO [NH3+]C1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CCCC1 ZINC001553517789 1012067997 /nfs/dbraw/zinc/06/79/97/1012067997.db2.gz MBVKUXLVDOJVOH-KBPBESRZSA-N 1 3 310.442 0.499 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553533360 1012087331 /nfs/dbraw/zinc/08/73/31/1012087331.db2.gz KAVWWAJXPUOIIL-MCIONIFRSA-N 1 3 310.442 0.225 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001445998369 1012502616 /nfs/dbraw/zinc/50/26/16/1012502616.db2.gz ZGTAHKWMXNZRBZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001459028721 1012531813 /nfs/dbraw/zinc/53/18/13/1012531813.db2.gz YOAYJCHBFBFHIF-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001459028721 1012531832 /nfs/dbraw/zinc/53/18/32/1012531832.db2.gz YOAYJCHBFBFHIF-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001548431558 1012627863 /nfs/dbraw/zinc/62/78/63/1012627863.db2.gz HNOJBRDZRPPMFW-OWCLPIDISA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001548431558 1012627870 /nfs/dbraw/zinc/62/78/70/1012627870.db2.gz HNOJBRDZRPPMFW-OWCLPIDISA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCN2C)C[C@H]1c1cnn(C)c1 ZINC001548431558 1012627888 /nfs/dbraw/zinc/62/78/88/1012627888.db2.gz HNOJBRDZRPPMFW-OWCLPIDISA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)C[C@H]1c1cnn(C)c1 ZINC001548431558 1012627900 /nfs/dbraw/zinc/62/79/00/1012627900.db2.gz HNOJBRDZRPPMFW-OWCLPIDISA-N 1 3 319.453 0.666 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)c1 ZINC001548580013 1012756921 /nfs/dbraw/zinc/75/69/21/1012756921.db2.gz UOQSZFFVOOZSOC-MRXNPFEDSA-N 1 3 302.378 0.357 20 0 DCADHO CCCC[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001506539346 1017348116 /nfs/dbraw/zinc/34/81/16/1017348116.db2.gz SSUILPOGRQAOAG-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001479562120 1017585283 /nfs/dbraw/zinc/58/52/83/1017585283.db2.gz MXQXTOQNYUPYRP-CBBWQLFWSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCC(N)=O)CC[N@H+]1C ZINC001479562120 1017585291 /nfs/dbraw/zinc/58/52/91/1017585291.db2.gz MXQXTOQNYUPYRP-CBBWQLFWSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](CNCC(N)=O)C1 ZINC001479562499 1017587472 /nfs/dbraw/zinc/58/74/72/1017587472.db2.gz SDFVDLZEOAVWAQ-VHDGCEQUSA-N 1 3 322.453 0.030 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC[C@H](C)O)C[C@H]21 ZINC001506826644 1017587765 /nfs/dbraw/zinc/58/77/65/1017587765.db2.gz SQRZNBROAIWCLS-CYUUQNCZSA-N 1 3 320.437 0.716 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]21 ZINC001506826644 1017587770 /nfs/dbraw/zinc/58/77/70/1017587770.db2.gz SQRZNBROAIWCLS-CYUUQNCZSA-N 1 3 320.437 0.716 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](CNCC(N)=O)C1 ZINC001479583613 1017588686 /nfs/dbraw/zinc/58/86/86/1017588686.db2.gz ACNWSIDRUAHUOW-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccccc1Cl ZINC001497045847 1017775328 /nfs/dbraw/zinc/77/53/28/1017775328.db2.gz FOIICBOTWKQDNK-ZDUSSCGKSA-N 1 3 313.829 0.858 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479829211 1017837868 /nfs/dbraw/zinc/83/78/68/1017837868.db2.gz KXISQFLDZLPMBW-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001479868676 1017916700 /nfs/dbraw/zinc/91/67/00/1017916700.db2.gz JUVKGENRJQHHKJ-YUELXQCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)CC[N@H+]1C ZINC001479868676 1017916713 /nfs/dbraw/zinc/91/67/13/1017916713.db2.gz JUVKGENRJQHHKJ-YUELXQCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001497205109 1017965670 /nfs/dbraw/zinc/96/56/70/1017965670.db2.gz HBUYKVXQYSMBDX-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001494905976 1018143081 /nfs/dbraw/zinc/14/30/81/1018143081.db2.gz NSFWETMMDWDSFH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001494905976 1018143084 /nfs/dbraw/zinc/14/30/84/1018143084.db2.gz NSFWETMMDWDSFH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C(C)C ZINC001495094615 1018307299 /nfs/dbraw/zinc/30/72/99/1018307299.db2.gz PWAUZZBYJPCCET-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)c1n[nH]c(C)n1 ZINC001495095386 1018307688 /nfs/dbraw/zinc/30/76/88/1018307688.db2.gz VZSHMWNYZGYRHB-AAEUAGOBSA-N 1 3 320.441 0.754 20 0 DCADHO Cc1cc(NC(=O)CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001480219547 1018329393 /nfs/dbraw/zinc/32/93/93/1018329393.db2.gz BGCMTBNEESCIJW-TXEJJXNPSA-N 1 3 323.397 0.110 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/CNCc2ccc(CO)cc2)C1 ZINC001497751118 1018387088 /nfs/dbraw/zinc/38/70/88/1018387088.db2.gz XMNPYTLKZSGGQR-YATRRXNKSA-N 1 3 317.433 0.893 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNCc2ccc(CO)cc2)C1 ZINC001497751118 1018387092 /nfs/dbraw/zinc/38/70/92/1018387092.db2.gz XMNPYTLKZSGGQR-YATRRXNKSA-N 1 3 317.433 0.893 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001480404095 1018504108 /nfs/dbraw/zinc/50/41/08/1018504108.db2.gz ZRTAQTGJKMHPOP-UHFFFAOYSA-N 1 3 310.442 0.234 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001497991336 1018566526 /nfs/dbraw/zinc/56/65/26/1018566526.db2.gz YRRDJVKMLXQAJG-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001497996854 1018569557 /nfs/dbraw/zinc/56/95/57/1018569557.db2.gz BRKYZMNTIZTLJE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001495683117 1018648035 /nfs/dbraw/zinc/64/80/35/1018648035.db2.gz HETSGENTTXESKG-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495698898 1018657433 /nfs/dbraw/zinc/65/74/33/1018657433.db2.gz XIZPQMYAGNMKHL-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001495755841 1018683330 /nfs/dbraw/zinc/68/33/30/1018683330.db2.gz XXQBLMAVYLIGDD-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1cc(CN[C@@H](C)CNC(=O)[C@H](C)C[NH+]2CCOCC2)on1 ZINC001480591583 1018688486 /nfs/dbraw/zinc/68/84/86/1018688486.db2.gz KOVLWWFDAZCWPS-OCCSQVGLSA-N 1 3 324.425 0.546 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001480649041 1018742308 /nfs/dbraw/zinc/74/23/08/1018742308.db2.gz RNHLGHCCSFPZKO-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]2C1 ZINC001501238731 1018977542 /nfs/dbraw/zinc/97/75/42/1018977542.db2.gz ZWEDKSYXYUEMAI-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]2C1 ZINC001501238731 1018977559 /nfs/dbraw/zinc/97/75/59/1018977559.db2.gz ZWEDKSYXYUEMAI-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001496192683 1019152025 /nfs/dbraw/zinc/15/20/25/1019152025.db2.gz DOXURFCUOOXBEU-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001498561302 1019231559 /nfs/dbraw/zinc/23/15/59/1019231559.db2.gz ZTBOXNIHLDNMSX-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH2+]CC(N)=O)c1 ZINC001498659106 1019307614 /nfs/dbraw/zinc/30/76/14/1019307614.db2.gz UTLVNSPBRIMVCZ-UHFFFAOYSA-N 1 3 306.410 0.285 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001498834573 1019457800 /nfs/dbraw/zinc/45/78/00/1019457800.db2.gz WJWBVJKZNSZONJ-IUODEOHRSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001498873017 1019492008 /nfs/dbraw/zinc/49/20/08/1019492008.db2.gz IGMKZEALIWOFCW-GDBMZVCRSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCOC(C)C)C1)N(C)C ZINC001502088080 1019703281 /nfs/dbraw/zinc/70/32/81/1019703281.db2.gz VYQSLSJJLRNDID-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC001494211128 1020079556 /nfs/dbraw/zinc/07/95/56/1020079556.db2.gz MNVAZYQWWPZYHU-CYBMUJFWSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC001494211128 1020079566 /nfs/dbraw/zinc/07/95/66/1020079566.db2.gz MNVAZYQWWPZYHU-CYBMUJFWSA-N 1 3 312.458 0.372 20 0 DCADHO CN(C)C[C@H]1CCCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000332121209 282133904 /nfs/dbraw/zinc/13/39/04/282133904.db2.gz ICWAEVULTINELT-CHWSQXEVSA-N 1 3 306.414 0.369 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000340727323 282251561 /nfs/dbraw/zinc/25/15/61/282251561.db2.gz YRMISVPDSISZEY-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO O[C@]1(Cn2ccnn2)CCC[N@H+](CCCN2CCCCC2)C1 ZINC000331374144 233217266 /nfs/dbraw/zinc/21/72/66/233217266.db2.gz KAOUTKWRYDSAPL-MRXNPFEDSA-N 1 3 307.442 0.981 20 0 DCADHO O[C@]1(Cn2ccnn2)CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000331374144 233217274 /nfs/dbraw/zinc/21/72/74/233217274.db2.gz KAOUTKWRYDSAPL-MRXNPFEDSA-N 1 3 307.442 0.981 20 0 DCADHO CCN(CC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000566117654 291271712 /nfs/dbraw/zinc/27/17/12/291271712.db2.gz PGUYMXDLBRKTPF-XHSDSOJGSA-N 1 3 301.475 0.776 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414708454 239479872 /nfs/dbraw/zinc/47/98/72/239479872.db2.gz QKJKWOPMRSAJJW-CYBMUJFWSA-N 1 3 318.421 0.932 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000420022383 240005468 /nfs/dbraw/zinc/00/54/68/240005468.db2.gz VTNJEQYKZXAVRG-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC000423710787 240241154 /nfs/dbraw/zinc/24/11/54/240241154.db2.gz LDUPNGWLUNDRGZ-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)N(C)C)CC1 ZINC000459034374 241053460 /nfs/dbraw/zinc/05/34/60/241053460.db2.gz CSANMGATQQBQJE-ZDUSSCGKSA-N 1 3 300.447 0.471 20 0 DCADHO CC(C)CN(C(=O)c1cn(CCC[NH3+])nn1)C1CCN(C)CC1 ZINC000567671017 291367673 /nfs/dbraw/zinc/36/76/73/291367673.db2.gz WYKWVFPIJJYCEY-UHFFFAOYSA-N 1 3 322.457 0.819 20 0 DCADHO O=C(NCCNc1ccncc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000567729768 291373676 /nfs/dbraw/zinc/37/36/76/291373676.db2.gz AYUDIQXMCLELEN-NSHDSACASA-N 1 3 300.366 0.145 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)[C@@H]2C1 ZINC000567814644 291379503 /nfs/dbraw/zinc/37/95/03/291379503.db2.gz WMNRAXICVAGVMH-UMVBOHGHSA-N 1 3 318.425 0.196 20 0 DCADHO CO[C@H](CN)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567841599 291383995 /nfs/dbraw/zinc/38/39/95/291383995.db2.gz JEROOOZHIMVIJI-OAHLLOKOSA-N 1 3 320.437 0.070 20 0 DCADHO CC1(C)NC(=O)N(CCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000571563275 291521784 /nfs/dbraw/zinc/52/17/84/291521784.db2.gz WLSZMRRLGSCCPX-OLZOCXBDSA-N 1 3 324.425 0.145 20 0 DCADHO C[C@@H](NCCN1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000574138953 291676138 /nfs/dbraw/zinc/67/61/38/291676138.db2.gz JSBWWDFUMKELOZ-CVEARBPZSA-N 1 3 318.469 0.576 20 0 DCADHO C[C@H](CNC(=O)c1ccn(CCN(C)C)n1)C[NH+]1CCCC1 ZINC000574529686 291700457 /nfs/dbraw/zinc/70/04/57/291700457.db2.gz YVYRHTHPTZBFBJ-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000339583418 253108511 /nfs/dbraw/zinc/10/85/11/253108511.db2.gz VXJDRZBPAVYXCE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000339583418 253108514 /nfs/dbraw/zinc/10/85/14/253108514.db2.gz VXJDRZBPAVYXCE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C[C@@H]1C ZINC000339634064 253118905 /nfs/dbraw/zinc/11/89/05/253118905.db2.gz LCLRFXJRIYRZLV-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C[C@@H]1C ZINC000339634064 253118906 /nfs/dbraw/zinc/11/89/06/253118906.db2.gz LCLRFXJRIYRZLV-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000339636978 253119402 /nfs/dbraw/zinc/11/94/02/253119402.db2.gz BWNZYWJMRWBWES-CYBMUJFWSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000339635883 253119502 /nfs/dbraw/zinc/11/95/02/253119502.db2.gz DZIYQCVTBGVFIV-UHFFFAOYSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339670481 253123997 /nfs/dbraw/zinc/12/39/97/253123997.db2.gz LIPXDSASNQPFKQ-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340476893 253260106 /nfs/dbraw/zinc/26/01/06/253260106.db2.gz CLZRYZJFGVCGFH-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340476893 253260108 /nfs/dbraw/zinc/26/01/08/253260108.db2.gz CLZRYZJFGVCGFH-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N(C)C1CC1 ZINC000340791569 253304223 /nfs/dbraw/zinc/30/42/23/253304223.db2.gz DXZZYTBUFPMDPE-SNPRPXQTSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N(C)C1CC1 ZINC000340791569 253304226 /nfs/dbraw/zinc/30/42/26/253304226.db2.gz DXZZYTBUFPMDPE-SNPRPXQTSA-N 1 3 322.453 0.328 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC1=O ZINC000346122496 254014144 /nfs/dbraw/zinc/01/41/44/254014144.db2.gz LMMPFTYNEDISOA-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000347045269 254124501 /nfs/dbraw/zinc/12/45/01/254124501.db2.gz NSAKEWWEGSZCCS-INIZCTEOSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C1=CCN(C)CC1 ZINC000347970989 254207183 /nfs/dbraw/zinc/20/71/83/254207183.db2.gz QQKGOAKXQKNOII-IPYPFGDCSA-N 1 3 322.453 0.352 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C1=CCN(C)CC1 ZINC000347970989 254207184 /nfs/dbraw/zinc/20/71/84/254207184.db2.gz QQKGOAKXQKNOII-IPYPFGDCSA-N 1 3 322.453 0.352 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC1CCN(CCO)CC1 ZINC000349629881 254289847 /nfs/dbraw/zinc/28/98/47/254289847.db2.gz JARBDTHMXFKWBY-ZDUSSCGKSA-N 1 3 300.447 0.330 20 0 DCADHO NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351475797 254337597 /nfs/dbraw/zinc/33/75/97/254337597.db2.gz JGBDRXJWUVIULI-CFVMTHIKSA-N 1 3 316.405 0.783 20 0 DCADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000351608501 254352137 /nfs/dbraw/zinc/35/21/37/254352137.db2.gz NEOAUQRMQKBOME-ZIAGYGMSSA-N 1 3 303.472 0.861 20 0 DCADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000351608501 254352138 /nfs/dbraw/zinc/35/21/38/254352138.db2.gz NEOAUQRMQKBOME-ZIAGYGMSSA-N 1 3 303.472 0.861 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351687846 254359082 /nfs/dbraw/zinc/35/90/82/254359082.db2.gz WRDRLTXCNOWMEJ-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351759939 254365702 /nfs/dbraw/zinc/36/57/02/254365702.db2.gz FBLIOUNGTBQRSG-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000337853924 285279594 /nfs/dbraw/zinc/27/95/94/285279594.db2.gz KNBRPMYJZODQCF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000337853924 285279599 /nfs/dbraw/zinc/27/95/99/285279599.db2.gz KNBRPMYJZODQCF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000275439658 130321670 /nfs/dbraw/zinc/32/16/70/130321670.db2.gz QIRVDPACAHVJOE-UHFFFAOYSA-N 1 3 320.437 0.749 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000236763625 395898796 /nfs/dbraw/zinc/89/87/96/395898796.db2.gz UGKRCKLPYVNJMB-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000236840370 395898866 /nfs/dbraw/zinc/89/88/66/395898866.db2.gz UGFHUENKQLWVAQ-KRWDZBQOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000236884597 395900204 /nfs/dbraw/zinc/90/02/04/395900204.db2.gz KFGOOFRRILIJRH-WBVHZDCISA-N 1 3 310.486 0.908 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)C[C@H]2CSCCN2)CC1 ZINC000237195222 395906252 /nfs/dbraw/zinc/90/62/52/395906252.db2.gz XDEWMRQUCKDIKC-AWEZNQCLSA-N 1 3 315.483 0.699 20 0 DCADHO CSCC[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000131105276 395924336 /nfs/dbraw/zinc/92/43/36/395924336.db2.gz DFSUGBYOXKDPCU-ZIAGYGMSSA-N 1 3 316.515 0.455 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000119795455 395875594 /nfs/dbraw/zinc/87/55/94/395875594.db2.gz QKMSZKFKJKMFPZ-HNNXBMFYSA-N 1 3 314.474 0.842 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000119795455 395875597 /nfs/dbraw/zinc/87/55/97/395875597.db2.gz QKMSZKFKJKMFPZ-HNNXBMFYSA-N 1 3 314.474 0.842 20 0 DCADHO CCC[C@H](C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1)[NH+](C)C ZINC000153302872 396023422 /nfs/dbraw/zinc/02/34/22/396023422.db2.gz XWQARWYFTZVKRK-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C)[C@H](C)C1 ZINC000154290073 396036005 /nfs/dbraw/zinc/03/60/05/396036005.db2.gz LYFUSKHIHQDJHZ-PMPSAXMXSA-N 1 3 301.475 0.636 20 0 DCADHO COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000261698802 396057602 /nfs/dbraw/zinc/05/76/02/396057602.db2.gz JVHLVYHSCSCARL-CQSZACIVSA-N 1 3 321.421 0.991 20 0 DCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C2CCCC2)CC1 ZINC000261813525 396068725 /nfs/dbraw/zinc/06/87/25/396068725.db2.gz ADXKXMXFMOHHBX-HNNXBMFYSA-N 1 3 310.442 0.173 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000171202701 396110737 /nfs/dbraw/zinc/11/07/37/396110737.db2.gz ZGTASEKODPAYSL-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262217369 396111883 /nfs/dbraw/zinc/11/18/83/396111883.db2.gz JFPDLKFKUWWHEJ-HNNXBMFYSA-N 1 3 319.453 0.810 20 0 DCADHO O=C(NCCN1CCCCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262321301 396123745 /nfs/dbraw/zinc/12/37/45/396123745.db2.gz RIWJQOOVFDVELE-UHFFFAOYSA-N 1 3 305.426 0.564 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000073183761 396143103 /nfs/dbraw/zinc/14/31/03/396143103.db2.gz FHKZAFRRKWADIQ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000073183761 396143104 /nfs/dbraw/zinc/14/31/04/396143104.db2.gz FHKZAFRRKWADIQ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO NC(=O)c1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261949554 396083192 /nfs/dbraw/zinc/08/31/92/396083192.db2.gz MSMNTBQQZAWZBN-CQSZACIVSA-N 1 3 304.394 0.072 20 0 DCADHO CN1CCN(CCCNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000261963084 396084164 /nfs/dbraw/zinc/08/41/64/396084164.db2.gz PCRDUTIXHQJTMN-INIZCTEOSA-N 1 3 304.438 0.830 20 0 DCADHO C[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262693901 396173477 /nfs/dbraw/zinc/17/34/77/396173477.db2.gz BSJSEITZWFSBSY-AAEUAGOBSA-N 1 3 304.394 0.670 20 0 DCADHO C[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262693901 396173481 /nfs/dbraw/zinc/17/34/81/396173481.db2.gz BSJSEITZWFSBSY-AAEUAGOBSA-N 1 3 304.394 0.670 20 0 DCADHO COCCCN(C)CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262861480 396188576 /nfs/dbraw/zinc/18/85/76/396188576.db2.gz WKZAZKLSTFHQRR-AWEZNQCLSA-N 1 3 323.441 0.506 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)NCCCN1CCC[N@H+](C)CC1 ZINC000182845219 396255182 /nfs/dbraw/zinc/25/51/82/396255182.db2.gz JNSVWOHPOKEKFU-CQSZACIVSA-N 1 3 305.488 0.427 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)NCCCN1CCC[N@@H+](C)CC1 ZINC000182845219 396255184 /nfs/dbraw/zinc/25/51/84/396255184.db2.gz JNSVWOHPOKEKFU-CQSZACIVSA-N 1 3 305.488 0.427 20 0 DCADHO c1nnc2ccc(N3CCN(CC4CC[NH2+]CC4)CC3)nn12 ZINC000178980535 396217073 /nfs/dbraw/zinc/21/70/73/396217073.db2.gz JRLLZKQYBXKCRL-UHFFFAOYSA-N 1 3 301.398 0.246 20 0 DCADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077774369 396232748 /nfs/dbraw/zinc/23/27/48/396232748.db2.gz OOMHXNMLTGGOTL-CQSZACIVSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077774369 396232752 /nfs/dbraw/zinc/23/27/52/396232752.db2.gz OOMHXNMLTGGOTL-CQSZACIVSA-N 1 3 312.458 0.474 20 0 DCADHO CN(C)CCNC(=O)C1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000265660952 396334656 /nfs/dbraw/zinc/33/46/56/396334656.db2.gz DOBVQGVYQJZISZ-AATRIKPKSA-N 1 3 310.442 0.021 20 0 DCADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]([NH3+])CC3CCCCC3)CCN2C1=O ZINC000594878113 396534493 /nfs/dbraw/zinc/53/44/93/396534493.db2.gz MWINLDMLTFMDIV-BFHYXJOUSA-N 1 3 308.426 0.055 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC000581262487 396540132 /nfs/dbraw/zinc/54/01/32/396540132.db2.gz OZMWOGRKSJENNP-ZFWWWQNUSA-N 1 3 305.426 0.611 20 0 DCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC2CNC2)c1 ZINC000581417252 396552203 /nfs/dbraw/zinc/55/22/03/396552203.db2.gz OJQKKRLSGGFNBM-UHFFFAOYSA-N 1 3 304.394 0.555 20 0 DCADHO C[C@@H](CNC(=O)c1ccnc(OCCN(C)C)c1)C[NH+](C)C ZINC000293937082 396642768 /nfs/dbraw/zinc/64/27/68/396642768.db2.gz UNDKOAAZWKFVKZ-ZDUSSCGKSA-N 1 3 308.426 0.950 20 0 DCADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563116494 396705155 /nfs/dbraw/zinc/70/51/55/396705155.db2.gz JFCAGYHTEVDSQG-FMKPAKJESA-N 1 3 320.441 0.808 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000563202887 396713173 /nfs/dbraw/zinc/71/31/73/396713173.db2.gz HWZSALPVCDLPIC-CJNGLKHVSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563209216 396714199 /nfs/dbraw/zinc/71/41/99/396714199.db2.gz RFDOWUNWCIGEET-CABCVRRESA-N 1 3 320.441 0.775 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563209216 396714204 /nfs/dbraw/zinc/71/42/04/396714204.db2.gz RFDOWUNWCIGEET-CABCVRRESA-N 1 3 320.441 0.775 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N(CCO)C3CC3)CC2)CC1 ZINC000303219044 396724850 /nfs/dbraw/zinc/72/48/50/396724850.db2.gz HASDSWICRYZKSF-UHFFFAOYSA-N 1 3 324.469 0.711 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000316940239 396799414 /nfs/dbraw/zinc/79/94/14/396799414.db2.gz GCWALYQFLKIOON-YDHLFZDLSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000316940239 396799423 /nfs/dbraw/zinc/79/94/23/396799423.db2.gz GCWALYQFLKIOON-YDHLFZDLSA-N 1 3 310.442 0.029 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCC1 ZINC000629960613 396895974 /nfs/dbraw/zinc/89/59/74/396895974.db2.gz QCTISRDOUYLPPA-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCC1 ZINC000629960613 396895982 /nfs/dbraw/zinc/89/59/82/396895982.db2.gz QCTISRDOUYLPPA-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO CN(CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000629960613 396895990 /nfs/dbraw/zinc/89/59/90/396895990.db2.gz QCTISRDOUYLPPA-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1=O ZINC000634761280 396910485 /nfs/dbraw/zinc/91/04/85/396910485.db2.gz XHZYJQKONOTSNL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C(=O)NCCN1CCCCC1 ZINC000569925707 396924462 /nfs/dbraw/zinc/92/44/62/396924462.db2.gz RMOOKCZRWIDZHK-CKEIUWERSA-N 1 3 322.453 0.093 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC000600817699 396950591 /nfs/dbraw/zinc/95/05/91/396950591.db2.gz RNKQANSSEBNNBF-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC000600817699 396950596 /nfs/dbraw/zinc/95/05/96/396950596.db2.gz RNKQANSSEBNNBF-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000339580113 396960401 /nfs/dbraw/zinc/96/04/01/396960401.db2.gz FXVIPOWSPWVLKA-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000339580113 396960403 /nfs/dbraw/zinc/96/04/03/396960403.db2.gz FXVIPOWSPWVLKA-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000339650968 396961079 /nfs/dbraw/zinc/96/10/79/396961079.db2.gz KGWYHVVWVJUJCE-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000571866973 396994759 /nfs/dbraw/zinc/99/47/59/396994759.db2.gz YORABOYWWFGECW-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CN1C1CC1 ZINC000346085533 397018254 /nfs/dbraw/zinc/01/82/54/397018254.db2.gz LWTZWMCDIXAHNC-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000612544280 397085972 /nfs/dbraw/zinc/08/59/72/397085972.db2.gz YEGXGODDLRQBMR-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN1CC[NH+](CCCCNC(=O)NCCN2CC=CCC2)CC1 ZINC000572334830 397047372 /nfs/dbraw/zinc/04/73/72/397047372.db2.gz AOBKIRCDQYABCY-UHFFFAOYSA-N 1 3 323.485 0.575 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612444176 397056946 /nfs/dbraw/zinc/05/69/46/397056946.db2.gz KKMWNBBUVYZTAJ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612444176 397056952 /nfs/dbraw/zinc/05/69/52/397056952.db2.gz KKMWNBBUVYZTAJ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)Cc1cccc(NC(=O)NCCN2CC[C@@H](O)C2)c1 ZINC000626264110 397123731 /nfs/dbraw/zinc/12/37/31/397123731.db2.gz BEHXCDNXCYLSPU-OAHLLOKOSA-N 1 3 306.410 0.936 20 0 DCADHO CN1CCN(CCNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1(C)C ZINC000612988436 397173511 /nfs/dbraw/zinc/17/35/11/397173511.db2.gz CYFYPHKARDFVLP-AWEZNQCLSA-N 1 3 323.485 0.454 20 0 DCADHO COC(=O)c1cccc(OCCN(C)CCN2CC[NH2+]CC2)c1 ZINC000592471966 397185657 /nfs/dbraw/zinc/18/56/57/397185657.db2.gz ACZVJGIVWDZHLX-UHFFFAOYSA-N 1 3 321.421 0.689 20 0 DCADHO CN(C)CCOCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592564357 397216721 /nfs/dbraw/zinc/21/67/21/397216721.db2.gz SCVKJWWVPXSKAG-LBPRGKRZSA-N 1 3 309.414 0.027 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)[C@H]2C1 ZINC000592564899 397217471 /nfs/dbraw/zinc/21/74/71/397217471.db2.gz SUAZJLBRGUMYBC-IPYPFGDCSA-N 1 3 317.437 0.885 20 0 DCADHO COC(=O)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)n1C ZINC000602015658 397284392 /nfs/dbraw/zinc/28/43/92/397284392.db2.gz FWGJGCQWUJKRCU-UHFFFAOYSA-N 1 3 322.453 0.927 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592957281 397303226 /nfs/dbraw/zinc/30/32/26/397303226.db2.gz MULULOBJNLHMKC-QWHCGFSZSA-N 1 3 305.426 0.791 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000626854181 397264608 /nfs/dbraw/zinc/26/46/08/397264608.db2.gz DWFILEVGWHMGCH-UHFFFAOYSA-N 1 3 322.409 0.503 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000577608375 397344595 /nfs/dbraw/zinc/34/45/95/397344595.db2.gz FCQWSWWGOWZRHI-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000577833222 397364638 /nfs/dbraw/zinc/36/46/38/397364638.db2.gz AONHMEOLTLJTLJ-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CSC1(CNC(=O)NCC2([NH3+])CCC2)CCN(C)CC1 ZINC000418203239 397374651 /nfs/dbraw/zinc/37/46/51/397374651.db2.gz VJSKUJHUWBCTSL-UHFFFAOYSA-N 1 3 300.472 0.994 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCN(CC)C2CC2)CC1 ZINC000419524880 397380471 /nfs/dbraw/zinc/38/04/71/397380471.db2.gz QNFNTTRJXHSIRV-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419773054 397381443 /nfs/dbraw/zinc/38/14/43/397381443.db2.gz ILZNKUBFFMIWPY-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419772483 397381605 /nfs/dbraw/zinc/38/16/05/397381605.db2.gz HXTWPHQWMFLWHR-CYBMUJFWSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000419740752 397382147 /nfs/dbraw/zinc/38/21/47/397382147.db2.gz YBYXASUWRUJXIR-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[NH+](C)CC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369048729 397430987 /nfs/dbraw/zinc/43/09/87/397430987.db2.gz XJCPAGSNBUSITI-CVEARBPZSA-N 1 3 324.469 0.833 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H](CN)C1 ZINC000578489133 397441824 /nfs/dbraw/zinc/44/18/24/397441824.db2.gz GVIVBVDNBOAZNN-DZGCQCFKSA-N 1 3 309.458 0.288 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@H](CN)C1 ZINC000578489133 397441827 /nfs/dbraw/zinc/44/18/27/397441827.db2.gz GVIVBVDNBOAZNN-DZGCQCFKSA-N 1 3 309.458 0.288 20 0 DCADHO N[C@H](C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)C1CCOCC1 ZINC000370294661 397465738 /nfs/dbraw/zinc/46/57/38/397465738.db2.gz RBYKRWKWOKKFHV-XHSDSOJGSA-N 1 3 321.396 0.833 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000579580625 397581180 /nfs/dbraw/zinc/58/11/80/397581180.db2.gz LEGRNZLURKUWCG-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](CC[C@H]3CCNC3=O)CC2)CC1 ZINC000579254334 397545226 /nfs/dbraw/zinc/54/52/26/397545226.db2.gz FYYJUKJMJMGUNA-MRXNPFEDSA-N 1 3 322.497 0.862 20 0 DCADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)NC(=O)NCC(F)(F)F ZINC000603435930 397611684 /nfs/dbraw/zinc/61/16/84/397611684.db2.gz ZZLDCNYNSXXDEX-YUMQZZPRSA-N 1 3 310.320 0.480 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000607237110 397699311 /nfs/dbraw/zinc/69/93/11/397699311.db2.gz OLYMQBMBCOTNOD-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)C)CC1=O ZINC000608012910 397714140 /nfs/dbraw/zinc/71/41/40/397714140.db2.gz MAYRLGILYOUUKN-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C ZINC000608740553 397751161 /nfs/dbraw/zinc/75/11/61/397751161.db2.gz HREPBPNRDNQTMB-CQSZACIVSA-N 1 3 302.463 0.792 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367531964 289241706 /nfs/dbraw/zinc/24/17/06/289241706.db2.gz VPJIUDGDOUCNCA-UHFFFAOYSA-N 1 3 303.472 0.686 20 0 DCADHO CCOCC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364458895 286130446 /nfs/dbraw/zinc/13/04/46/286130446.db2.gz IFRYBEONFOFJPR-RDJZCZTQSA-N 1 3 313.486 0.874 20 0 DCADHO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075836185 158063124 /nfs/dbraw/zinc/06/31/24/158063124.db2.gz BCWAQLPWRUVQKY-AWEZNQCLSA-N 1 3 311.426 0.474 20 0 DCADHO COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075836185 158063128 /nfs/dbraw/zinc/06/31/28/158063128.db2.gz BCWAQLPWRUVQKY-AWEZNQCLSA-N 1 3 311.426 0.474 20 0 DCADHO CC(C)OC[C@@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000119722049 158190335 /nfs/dbraw/zinc/19/03/35/158190335.db2.gz CKRQQGWOCBJUDY-INIZCTEOSA-N 1 3 301.475 0.730 20 0 DCADHO CC(C)OC[C@@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000119722049 158190338 /nfs/dbraw/zinc/19/03/38/158190338.db2.gz CKRQQGWOCBJUDY-INIZCTEOSA-N 1 3 301.475 0.730 20 0 DCADHO CC(C)C[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000167210548 158367587 /nfs/dbraw/zinc/36/75/87/158367587.db2.gz SIOAGKKHNAIASP-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000126898104 286974407 /nfs/dbraw/zinc/97/44/07/286974407.db2.gz MDACIJMRCDTLBC-HNNXBMFYSA-N 1 3 302.422 0.920 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418954838 287257213 /nfs/dbraw/zinc/25/72/13/287257213.db2.gz XQJYCDNTHACULR-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419020446 287261276 /nfs/dbraw/zinc/26/12/76/287261276.db2.gz FUJURVRFMNJUNX-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419146036 287267322 /nfs/dbraw/zinc/26/73/22/287267322.db2.gz HILQXVRQMFNSSD-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]CC[C@H]1CCCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000352504206 415198354 /nfs/dbraw/zinc/19/83/54/415198354.db2.gz OGMTUGRIDIAIHE-OAHLLOKOSA-N 1 3 308.470 0.933 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000420444538 287298622 /nfs/dbraw/zinc/29/86/22/287298622.db2.gz RTZLYUIOLXDYLI-UWVGGRQHSA-N 1 3 317.459 0.076 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000342763941 415285429 /nfs/dbraw/zinc/28/54/29/415285429.db2.gz FJAUHBARXIIHBD-UONOGXRCSA-N 1 3 311.426 0.744 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000342688506 415255523 /nfs/dbraw/zinc/25/55/23/415255523.db2.gz BHULRNBWEPIBLH-ZIAGYGMSSA-N 1 3 311.426 0.648 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000342688506 415255531 /nfs/dbraw/zinc/25/55/31/415255531.db2.gz BHULRNBWEPIBLH-ZIAGYGMSSA-N 1 3 311.426 0.648 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000332575621 415416782 /nfs/dbraw/zinc/41/67/82/415416782.db2.gz FNYKJCVTXPLHLP-YJNKXOJESA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C[C@H]1C[NH3+] ZINC000332589111 415421127 /nfs/dbraw/zinc/42/11/27/415421127.db2.gz FNFYWOKKJZHHDM-BARDWOONSA-N 1 3 322.453 0.125 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085360654 415505089 /nfs/dbraw/zinc/50/50/89/415505089.db2.gz LDCUQVDRFPNUBD-CYBMUJFWSA-N 1 3 302.463 0.840 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332973020 415521295 /nfs/dbraw/zinc/52/12/95/415521295.db2.gz CIMMLCUPPJNLKC-QXSJWSMHSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332973020 415521300 /nfs/dbraw/zinc/52/13/00/415521300.db2.gz CIMMLCUPPJNLKC-QXSJWSMHSA-N 1 3 324.469 0.710 20 0 DCADHO CC1(C)CC(NC(=O)N2CCOC3(CNC3)C2)CC(C)(C)[NH2+]1 ZINC000333119751 415562383 /nfs/dbraw/zinc/56/23/83/415562383.db2.gz AJDFETHPVQMTAO-UHFFFAOYSA-N 1 3 310.442 0.679 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000333143651 415568987 /nfs/dbraw/zinc/56/89/87/415568987.db2.gz CSIGEZISHVMBQV-CABCVRRESA-N 1 3 310.442 0.635 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1CC[NH2+]CC1 ZINC000353642939 415613057 /nfs/dbraw/zinc/61/30/57/415613057.db2.gz PBEVTPTXWUHETR-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)nnn2C ZINC000104190621 415622896 /nfs/dbraw/zinc/62/28/96/415622896.db2.gz KKZQAFDKYIILSO-UHFFFAOYSA-N 1 3 318.425 0.534 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333501256 415668116 /nfs/dbraw/zinc/66/81/16/415668116.db2.gz HUHBIIVMRLIRCW-SOUVJXGZSA-N 1 3 310.442 0.539 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000343791290 415732318 /nfs/dbraw/zinc/73/23/18/415732318.db2.gz ODSVNCUHHRUHSS-OAHLLOKOSA-N 1 3 306.410 0.073 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000119369998 415747669 /nfs/dbraw/zinc/74/76/69/415747669.db2.gz NUUYCRCVTKEBFU-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000336860214 415841609 /nfs/dbraw/zinc/84/16/09/415841609.db2.gz OUJHZHVGLNOMGO-UKRRQHHQSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000336860214 415841613 /nfs/dbraw/zinc/84/16/13/415841613.db2.gz OUJHZHVGLNOMGO-UKRRQHHQSA-N 1 3 312.458 0.467 20 0 DCADHO CCN1C[C@@H](C)[C@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000344237905 415871601 /nfs/dbraw/zinc/87/16/01/415871601.db2.gz HVKPGRZMVSJZMQ-GDBMZVCRSA-N 1 3 310.486 0.859 20 0 DCADHO Cc1ccncc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130558074 415920181 /nfs/dbraw/zinc/92/01/81/415920181.db2.gz LVWIOCKONXKHAW-UHFFFAOYSA-N 1 3 321.425 0.280 20 0 DCADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000130548750 415920342 /nfs/dbraw/zinc/92/03/42/415920342.db2.gz JZLUPYAEGJBBTF-UHFFFAOYSA-N 1 3 321.425 0.280 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000337690770 415996650 /nfs/dbraw/zinc/99/66/50/415996650.db2.gz UKUQZGUUYZTNHP-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000337690770 415996654 /nfs/dbraw/zinc/99/66/54/415996654.db2.gz UKUQZGUUYZTNHP-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000337690771 415997289 /nfs/dbraw/zinc/99/72/89/415997289.db2.gz UKUQZGUUYZTNHP-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000337690771 415997291 /nfs/dbraw/zinc/99/72/91/415997291.db2.gz UKUQZGUUYZTNHP-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO CCn1cc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cn1 ZINC000168935363 416026081 /nfs/dbraw/zinc/02/60/81/416026081.db2.gz CFJRIZZFWWIOSS-INIZCTEOSA-N 1 3 323.485 0.944 20 0 DCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338024571 416034838 /nfs/dbraw/zinc/03/48/38/416034838.db2.gz UVKGWEATIXUGHR-HBNTYKKESA-N 1 3 310.364 0.312 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000303982396 416102749 /nfs/dbraw/zinc/10/27/49/416102749.db2.gz GJKFGBKYTQZQNV-LSDHHAIUSA-N 1 3 314.474 0.719 20 0 DCADHO OC[C@]1(F)CCN(CCCCC[N@@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338584925 416111978 /nfs/dbraw/zinc/11/19/78/416111978.db2.gz IRTFQNXOKIRPQQ-GJZGRUSLSA-N 1 3 306.397 0.969 20 0 DCADHO OC[C@]1(F)CCN(CCCCC[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338584925 416111982 /nfs/dbraw/zinc/11/19/82/416111982.db2.gz IRTFQNXOKIRPQQ-GJZGRUSLSA-N 1 3 306.397 0.969 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000314563538 416112729 /nfs/dbraw/zinc/11/27/29/416112729.db2.gz MRSGONRKTNRRDN-UHFFFAOYSA-N 1 3 306.410 0.471 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000339925688 416169334 /nfs/dbraw/zinc/16/93/34/416169334.db2.gz CYJMXYCHYUQYAK-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340479578 416188071 /nfs/dbraw/zinc/18/80/71/416188071.db2.gz RSWNSFWLCBNZDO-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340479578 416188073 /nfs/dbraw/zinc/18/80/73/416188073.db2.gz RSWNSFWLCBNZDO-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](CN(C)C)NC(=O)C1(C(=O)N[C@@H](C)C[NH+](C)C)CCC1 ZINC000346223795 416191085 /nfs/dbraw/zinc/19/10/85/416191085.db2.gz NDRDIBGLFYURPO-BETUJISGSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)C1(C(=O)N[C@@H](C)CN(C)C)CCC1 ZINC000346223795 416191089 /nfs/dbraw/zinc/19/10/89/416191089.db2.gz NDRDIBGLFYURPO-BETUJISGSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000330917031 416246855 /nfs/dbraw/zinc/24/68/55/416246855.db2.gz LLFARLJBSVZWGW-CYBMUJFWSA-N 1 3 308.430 0.860 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351519579 416277946 /nfs/dbraw/zinc/27/79/46/416277946.db2.gz OQTZWTYVWIDYEK-MJBXVCDLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358515575 416247862 /nfs/dbraw/zinc/24/78/62/416247862.db2.gz ZHRCIWJXGIQORW-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000359302747 416319694 /nfs/dbraw/zinc/31/96/94/416319694.db2.gz FBNSNZUFZLMIHE-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000359302747 416319696 /nfs/dbraw/zinc/31/96/96/416319696.db2.gz FBNSNZUFZLMIHE-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C1CC1 ZINC000342070579 416279685 /nfs/dbraw/zinc/27/96/85/416279685.db2.gz FMBDRKISLNDQFL-JHJVBQTASA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C1CC1 ZINC000342070579 416279688 /nfs/dbraw/zinc/27/96/88/416279688.db2.gz FMBDRKISLNDQFL-JHJVBQTASA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351865055 416283497 /nfs/dbraw/zinc/28/34/97/416283497.db2.gz LSFMPXFONJZUKM-RKDXNWHRSA-N 1 3 310.320 0.434 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000358868932 416288891 /nfs/dbraw/zinc/28/88/91/416288891.db2.gz WYYZEOKLYCPGPZ-LSDHHAIUSA-N 1 3 309.385 0.705 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000262276934 416336636 /nfs/dbraw/zinc/33/66/36/416336636.db2.gz JWYMBZCSFWDXQX-BZUAXINKSA-N 1 3 310.486 0.894 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415407739 416341420 /nfs/dbraw/zinc/34/14/20/416341420.db2.gz BMUNCEGDWABRJS-GFCCVEGCSA-N 1 3 320.437 0.967 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@@H](N)Cc2ccccc2)CCOCC1 ZINC000237081098 416328152 /nfs/dbraw/zinc/32/81/52/416328152.db2.gz OQNMSTQARCUGNX-HNNXBMFYSA-N 1 3 305.422 0.783 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419920378 416414884 /nfs/dbraw/zinc/41/48/84/416414884.db2.gz WXJQXMNGIJTNKU-ILXRZTDVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCC[C@@H](C)C1 ZINC000420085392 416416651 /nfs/dbraw/zinc/41/66/51/416416651.db2.gz BFVCMLSNEQEIED-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000416898770 416378344 /nfs/dbraw/zinc/37/83/44/416378344.db2.gz ZEKVWALHCOBUFH-HNNXBMFYSA-N 1 3 306.410 0.536 20 0 DCADHO COCCNCCNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000417555955 416383404 /nfs/dbraw/zinc/38/34/04/416383404.db2.gz ZDRFMMCNRATWID-CQSZACIVSA-N 1 3 300.447 0.642 20 0 DCADHO COCCNCCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000417555955 416383405 /nfs/dbraw/zinc/38/34/05/416383405.db2.gz ZDRFMMCNRATWID-CQSZACIVSA-N 1 3 300.447 0.642 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N[C@H](CC[NH3+])C(F)F)CCCO1 ZINC000418123493 416385600 /nfs/dbraw/zinc/38/56/00/416385600.db2.gz ZAPQIALPJXQATE-NWDGAFQWSA-N 1 3 322.400 0.769 20 0 DCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC[NH3+] ZINC000418308135 416385891 /nfs/dbraw/zinc/38/58/91/416385891.db2.gz UKVQFAWYBSJERW-UHFFFAOYSA-N 1 3 300.353 0.997 20 0 DCADHO [NH3+][C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000418442347 416387203 /nfs/dbraw/zinc/38/72/03/416387203.db2.gz DOVDAIUUGSBIFL-HOTGVXAUSA-N 1 3 320.437 0.832 20 0 DCADHO COC[C@@]1(CNC(=O)N[C@@H]2CNCCC2(F)F)CCC[NH2+]1 ZINC000418630260 416388036 /nfs/dbraw/zinc/38/80/36/416388036.db2.gz FHCBMBQBKXZCID-PWSUYJOCSA-N 1 3 306.357 0.051 20 0 DCADHO CCN1CCN(CCC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000360413709 416388743 /nfs/dbraw/zinc/38/87/43/416388743.db2.gz YQASEAQLTNHKQM-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCN(CCC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000360413709 416388744 /nfs/dbraw/zinc/38/87/44/416388744.db2.gz YQASEAQLTNHKQM-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H]([NH3+])CC ZINC000418702867 416389048 /nfs/dbraw/zinc/38/90/48/416389048.db2.gz DZLIUIMNKPWZDR-OAHLLOKOSA-N 1 3 313.490 0.783 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418987913 416395098 /nfs/dbraw/zinc/39/50/98/416395098.db2.gz HVGGNVUCDPUUAN-CYBMUJFWSA-N 1 3 320.437 0.336 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419288225 416398544 /nfs/dbraw/zinc/39/85/44/416398544.db2.gz RLBGGKQHWJMIMS-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000419416020 416401471 /nfs/dbraw/zinc/40/14/71/416401471.db2.gz VQWLXAZVGWELNU-RBSFLKMASA-N 1 3 324.469 0.278 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419770294 416410162 /nfs/dbraw/zinc/41/01/62/416410162.db2.gz WQGQABOILOYNAJ-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000423057249 416463018 /nfs/dbraw/zinc/46/30/18/416463018.db2.gz YXXPERCXBMLYSF-STQMWFEESA-N 1 3 308.426 0.958 20 0 DCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000423057249 416463023 /nfs/dbraw/zinc/46/30/23/416463023.db2.gz YXXPERCXBMLYSF-STQMWFEESA-N 1 3 308.426 0.958 20 0 DCADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000423057247 416463342 /nfs/dbraw/zinc/46/33/42/416463342.db2.gz YXXPERCXBMLYSF-OLZOCXBDSA-N 1 3 308.426 0.958 20 0 DCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000423057247 416463347 /nfs/dbraw/zinc/46/33/47/416463347.db2.gz YXXPERCXBMLYSF-OLZOCXBDSA-N 1 3 308.426 0.958 20 0 DCADHO COC(=O)c1cn(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)nn1 ZINC000423108871 416467257 /nfs/dbraw/zinc/46/72/57/416467257.db2.gz RPNPZKBUYGIJOB-STQMWFEESA-N 1 3 309.414 0.965 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423152216 416470524 /nfs/dbraw/zinc/47/05/24/416470524.db2.gz LFOPUHJNIQSNCD-UONOGXRCSA-N 1 3 308.426 0.023 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434339021 416471214 /nfs/dbraw/zinc/47/12/14/416471214.db2.gz SCNFKUVXAPZGAC-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@@H]2COC[C@@H]2OC)CC[NH2+]CC1 ZINC000423171447 416472814 /nfs/dbraw/zinc/47/28/14/416472814.db2.gz ONBJNKGZMDLHQH-UPJWGTAASA-N 1 3 300.399 0.311 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458478255 416474650 /nfs/dbraw/zinc/47/46/50/416474650.db2.gz CHSQKUAMKXOVSZ-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458478255 416474653 /nfs/dbraw/zinc/47/46/53/416474653.db2.gz CHSQKUAMKXOVSZ-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000423232869 416479616 /nfs/dbraw/zinc/47/96/16/416479616.db2.gz IWUBBEGPQMQOOY-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484568 416434241 /nfs/dbraw/zinc/43/42/41/416434241.db2.gz CPGRYKQMNZLTLK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422484568 416434244 /nfs/dbraw/zinc/43/42/44/416434244.db2.gz CPGRYKQMNZLTLK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CCCN1C ZINC000458676481 416490159 /nfs/dbraw/zinc/49/01/59/416490159.db2.gz ZGHKRGMSORDVJN-QLFBSQMISA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CCCN1C ZINC000458676481 416490165 /nfs/dbraw/zinc/49/01/65/416490165.db2.gz ZGHKRGMSORDVJN-QLFBSQMISA-N 1 3 312.458 0.615 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)N(C)C)CC2)CC1 ZINC000582292619 416452679 /nfs/dbraw/zinc/45/26/79/416452679.db2.gz DXRZAIGBGBHPAL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000422977944 416454885 /nfs/dbraw/zinc/45/48/85/416454885.db2.gz YANKBXFLNTWYKV-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@@H]1CN ZINC000422974302 416455006 /nfs/dbraw/zinc/45/50/06/416455006.db2.gz QUWGJZZBUXSPEL-VXGQWTEUSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC000535696722 416523304 /nfs/dbraw/zinc/52/33/04/416523304.db2.gz ONXKFRUBPUSBJO-AWEZNQCLSA-N 1 3 306.410 0.590 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000535696722 416523308 /nfs/dbraw/zinc/52/33/08/416523308.db2.gz ONXKFRUBPUSBJO-AWEZNQCLSA-N 1 3 306.410 0.590 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000423769920 416564190 /nfs/dbraw/zinc/56/41/90/416564190.db2.gz CQPVLKCNYLYION-LCGIIJARSA-N 1 3 303.406 0.346 20 0 DCADHO C[C@H](CC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000423928653 416593022 /nfs/dbraw/zinc/59/30/22/416593022.db2.gz HMNQNKAXHTYGOA-FXUDXRNXSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC000365604599 416606125 /nfs/dbraw/zinc/60/61/25/416606125.db2.gz WSNJSAKNUJDSCW-OAHLLOKOSA-N 1 3 308.470 0.757 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)NC[C@@H]2CCNCC2(F)F)CC1 ZINC000424186432 416624406 /nfs/dbraw/zinc/62/44/06/416624406.db2.gz HFMGGVRCVKNUOS-LBPRGKRZSA-N 1 3 318.412 0.551 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229127 416630273 /nfs/dbraw/zinc/63/02/73/416630273.db2.gz WFTBWIGJPZBPPH-NZBPQXDJSA-N 1 3 305.426 0.546 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C[C@@H](N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424224246 416630408 /nfs/dbraw/zinc/63/04/08/416630408.db2.gz JNWQVRDWRDPQLU-ARFHVFGLSA-N 1 3 313.405 0.763 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424241185 416631366 /nfs/dbraw/zinc/63/13/66/416631366.db2.gz PSWWSLSAWREBKJ-OCCSQVGLSA-N 1 3 310.442 0.077 20 0 DCADHO Cc1cc(CN)cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000424242761 416631658 /nfs/dbraw/zinc/63/16/58/416631658.db2.gz OVGAMQCJDRKJRV-CQSZACIVSA-N 1 3 304.394 0.651 20 0 DCADHO CC(C)[C@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1C ZINC000514983689 416686643 /nfs/dbraw/zinc/68/66/43/416686643.db2.gz FMKGUPCZTMAMJL-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO N[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)c1ccccc1 ZINC000516059567 416711252 /nfs/dbraw/zinc/71/12/52/416711252.db2.gz MBVYVUYSTXCTNB-CYBMUJFWSA-N 1 3 302.382 0.447 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000516185197 416717751 /nfs/dbraw/zinc/71/77/51/416717751.db2.gz UGXQUUISDOQHGY-ZDUSSCGKSA-N 1 3 308.430 0.431 20 0 DCADHO CN1CCN(c2ncc(CN3CCC[C@@H](CC[NH3+])C3)cn2)CC1 ZINC000442917395 416719237 /nfs/dbraw/zinc/71/92/37/416719237.db2.gz AIXVHVHFPNLHHX-HNNXBMFYSA-N 1 3 318.469 0.789 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000516924126 416757561 /nfs/dbraw/zinc/75/75/61/416757561.db2.gz GGLIDWBCHPHEAR-ZDUSSCGKSA-N 1 3 308.430 0.621 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000426349513 416764732 /nfs/dbraw/zinc/76/47/32/416764732.db2.gz FDEWCEJVEFXNHE-SJORKVTESA-N 1 3 320.481 0.852 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)C2)CC1 ZINC000426349513 416764735 /nfs/dbraw/zinc/76/47/35/416764735.db2.gz FDEWCEJVEFXNHE-SJORKVTESA-N 1 3 320.481 0.852 20 0 DCADHO CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369375476 416765484 /nfs/dbraw/zinc/76/54/84/416765484.db2.gz XSTVYKHAADUDFJ-OAHLLOKOSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369375476 416765486 /nfs/dbraw/zinc/76/54/86/416765486.db2.gz XSTVYKHAADUDFJ-OAHLLOKOSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369375476 416765488 /nfs/dbraw/zinc/76/54/88/416765488.db2.gz XSTVYKHAADUDFJ-OAHLLOKOSA-N 1 3 323.485 0.502 20 0 DCADHO CN(C)CCN(C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000426551203 416773612 /nfs/dbraw/zinc/77/36/12/416773612.db2.gz FJGWGAXQQKTXMV-LSDHHAIUSA-N 1 3 312.458 0.567 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000426785682 416785040 /nfs/dbraw/zinc/78/50/40/416785040.db2.gz QUNHCCRAMAHELK-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000426785682 416785046 /nfs/dbraw/zinc/78/50/46/416785046.db2.gz QUNHCCRAMAHELK-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000517582704 416811902 /nfs/dbraw/zinc/81/19/02/416811902.db2.gz SSJNNKWWHMRQSD-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444184187 416813047 /nfs/dbraw/zinc/81/30/47/416813047.db2.gz PAHCLCVQHZIQTB-YOEHRIQHSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000370302407 416888729 /nfs/dbraw/zinc/88/87/29/416888729.db2.gz WKMSWQPEJGGUOL-WCVJEAGWSA-N 1 3 324.469 0.831 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000370302407 416888733 /nfs/dbraw/zinc/88/87/33/416888733.db2.gz WKMSWQPEJGGUOL-WCVJEAGWSA-N 1 3 324.469 0.831 20 0 DCADHO CNC(=O)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000564985624 416900165 /nfs/dbraw/zinc/90/01/65/416900165.db2.gz GBOJAHAQNUADEB-IRXDYDNUSA-N 1 3 319.449 0.765 20 0 DCADHO O=C1CC[C@H]2CN(CCN3CC[NH2+]CC3)CC[C@@H]2N1C1CC1 ZINC000564988300 416906017 /nfs/dbraw/zinc/90/60/17/416906017.db2.gz AVUSBAVOCLCZJQ-HOCLYGCPSA-N 1 3 306.454 0.367 20 0 DCADHO CN(c1nc(N)nc(N)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000623970058 416929732 /nfs/dbraw/zinc/92/97/32/416929732.db2.gz BSJQETVIEANLFZ-UHFFFAOYSA-N 1 3 313.409 0.798 20 0 DCADHO C[N@@H+]1CC[C@H](NCC(=O)N2CCNCC2)C[C@H]1c1ccccc1 ZINC000565416139 416977655 /nfs/dbraw/zinc/97/76/55/416977655.db2.gz XSJNMNLTMAFGRQ-IRXDYDNUSA-N 1 3 316.449 0.843 20 0 DCADHO C[N@H+]1CC[C@H](NCC(=O)N2CCNCC2)C[C@H]1c1ccccc1 ZINC000565416139 416977662 /nfs/dbraw/zinc/97/76/62/416977662.db2.gz XSJNMNLTMAFGRQ-IRXDYDNUSA-N 1 3 316.449 0.843 20 0 DCADHO C[NH+](C)C[C@H](CNc1nc(N)nc(N)n1)c1ccc(Cl)cc1 ZINC000624344190 417013216 /nfs/dbraw/zinc/01/32/16/417013216.db2.gz HCSJLKQOFLZFDG-JTQLQIEISA-N 1 3 321.816 0.529 20 0 DCADHO Cc1c(C(=O)NCCN(C)C2CC2)nnn1C1CC[NH2+]CC1 ZINC000431042238 417099119 /nfs/dbraw/zinc/09/91/19/417099119.db2.gz FEZPIRXAFLYYHX-UHFFFAOYSA-N 1 3 306.414 0.335 20 0 DCADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642785726 417100051 /nfs/dbraw/zinc/10/00/51/417100051.db2.gz FQFPJCMMTCZRQG-UKRRQHHQSA-N 1 3 322.453 0.174 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000642785731 417100652 /nfs/dbraw/zinc/10/06/52/417100652.db2.gz FRKZSAKGRHFLJW-LSDHHAIUSA-N 1 3 322.453 0.221 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642785967 417101374 /nfs/dbraw/zinc/10/13/74/417101374.db2.gz UXOJAUQEOKURFW-CFVMTHIKSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642329799 417043377 /nfs/dbraw/zinc/04/33/77/417043377.db2.gz TVBPYFUHFIJHDI-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000642439362 417051546 /nfs/dbraw/zinc/05/15/46/417051546.db2.gz CKOZSNQDEUTVGC-XJKSGUPXSA-N 1 3 310.442 0.174 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000448251666 417067620 /nfs/dbraw/zinc/06/76/20/417067620.db2.gz HNLSFIFXIQNZJA-CJNGLKHVSA-N 1 3 314.474 0.719 20 0 DCADHO O=C(COC1C[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000430851827 417071981 /nfs/dbraw/zinc/07/19/81/417071981.db2.gz QLVCTQQCULKAAK-ZDUSSCGKSA-N 1 3 309.435 0.990 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000642724350 417080282 /nfs/dbraw/zinc/08/02/82/417080282.db2.gz GHANLLSXGPZLHW-JSGCOSHPSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000642732915 417084283 /nfs/dbraw/zinc/08/42/83/417084283.db2.gz BRDYATDQIQEDPD-ZDUSSCGKSA-N 1 3 318.421 0.014 20 0 DCADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000430966049 417089780 /nfs/dbraw/zinc/08/97/80/417089780.db2.gz NQOUBJUGLATDNN-OBJOEFQTSA-N 1 3 310.442 0.158 20 0 DCADHO C[C@H](NC1CC1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000449129155 417125104 /nfs/dbraw/zinc/12/51/04/417125104.db2.gz ZHSAFPJZNLRZEL-HOCLYGCPSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@H](NC1CC1)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000449129155 417125110 /nfs/dbraw/zinc/12/51/10/417125110.db2.gz ZHSAFPJZNLRZEL-HOCLYGCPSA-N 1 3 308.470 0.755 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000642912497 417121905 /nfs/dbraw/zinc/12/19/05/417121905.db2.gz RBHIRNSLXYOVSV-RDBSUJKOSA-N 1 3 308.426 0.069 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000642911565 417122077 /nfs/dbraw/zinc/12/20/77/417122077.db2.gz FXLOIRVDYZOADC-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000637532737 417133580 /nfs/dbraw/zinc/13/35/80/417133580.db2.gz KZPIHINAIIWXQC-GJZGRUSLSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000637532737 417133581 /nfs/dbraw/zinc/13/35/81/417133581.db2.gz KZPIHINAIIWXQC-GJZGRUSLSA-N 1 3 310.442 0.321 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000642989322 417141426 /nfs/dbraw/zinc/14/14/26/417141426.db2.gz PHSMTNGMWBLDRF-KBXIAJHMSA-N 1 3 322.453 0.328 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637804440 417188718 /nfs/dbraw/zinc/18/87/18/417188718.db2.gz OOLMSJJRCKKVNO-KFNAQCHYSA-N 1 3 307.394 0.578 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568885973 417188764 /nfs/dbraw/zinc/18/87/64/417188764.db2.gz NTGMXAWOOIXTQM-LSDHHAIUSA-N 1 3 311.474 0.391 20 0 DCADHO O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000637805558 417190417 /nfs/dbraw/zinc/19/04/17/417190417.db2.gz JBEUXTKVLGEWFS-HZPDHXFCSA-N 1 3 318.421 0.541 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637805592 417190815 /nfs/dbraw/zinc/19/08/15/417190815.db2.gz ZYWHAPUNMJMMNH-CZUORRHYSA-N 1 3 307.394 0.567 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000637824727 417200066 /nfs/dbraw/zinc/20/00/66/417200066.db2.gz PXRWZLZMBZFWOV-JKSUJKDBSA-N 1 3 304.438 0.656 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637833473 417202004 /nfs/dbraw/zinc/20/20/04/417202004.db2.gz SQXMQBVDAJTCMQ-ZBFHGGJFSA-N 1 3 304.438 0.562 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000643470937 417216041 /nfs/dbraw/zinc/21/60/41/417216041.db2.gz OGGJZRBGRYQCFS-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC[C@@H]1[NH3+] ZINC000643500333 417227182 /nfs/dbraw/zinc/22/71/82/417227182.db2.gz FPKGUJSEXMUADR-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000643500348 417227819 /nfs/dbraw/zinc/22/78/19/417227819.db2.gz HXSAIZVQUCHJOU-RRFJBIMHSA-N 1 3 322.453 0.125 20 0 DCADHO CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707635 417295291 /nfs/dbraw/zinc/29/52/91/417295291.db2.gz MXNMUOSFPPYGIJ-MELADBBJSA-N 1 3 303.472 0.777 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC[C@@H]1C(F)(F)F ZINC000627102548 417231826 /nfs/dbraw/zinc/23/18/26/417231826.db2.gz ODWOEXFGFRAYSA-VWYCJHECSA-N 1 3 324.347 0.144 20 0 DCADHO O=C(N[C@H]1CC[NH2+]C12CCC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627117051 417236870 /nfs/dbraw/zinc/23/68/70/417236870.db2.gz PTCJYAWIAXSJGG-CABCVRRESA-N 1 3 322.453 0.824 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCOC2(CNC2)C1 ZINC000569334103 417241127 /nfs/dbraw/zinc/24/11/27/417241127.db2.gz ZEHAMCUKKJJGCC-CYBMUJFWSA-N 1 3 308.426 0.387 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCOC2(CNC2)C1 ZINC000569334103 417241130 /nfs/dbraw/zinc/24/11/30/417241130.db2.gz ZEHAMCUKKJJGCC-CYBMUJFWSA-N 1 3 308.426 0.387 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000643552913 417243378 /nfs/dbraw/zinc/24/33/78/417243378.db2.gz YLRCRFIMLARBEI-MRXNPFEDSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@H+](CCC(=O)N1CCN(C)CC1)C2 ZINC000643611558 417256258 /nfs/dbraw/zinc/25/62/58/417256258.db2.gz WSTLTJJIDBBTCF-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)N1CCN(C)CC1)C2 ZINC000643611558 417256266 /nfs/dbraw/zinc/25/62/66/417256266.db2.gz WSTLTJJIDBBTCF-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CCN2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000643611558 417256271 /nfs/dbraw/zinc/25/62/71/417256271.db2.gz WSTLTJJIDBBTCF-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CCN2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000643611558 417256280 /nfs/dbraw/zinc/25/62/80/417256280.db2.gz WSTLTJJIDBBTCF-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CN(C)C[C@@H]1CCCCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570393673 417349085 /nfs/dbraw/zinc/34/90/85/417349085.db2.gz LHQUTJMLKQXPFH-KGLIPLIRSA-N 1 3 320.441 0.586 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638147671 417352434 /nfs/dbraw/zinc/35/24/34/417352434.db2.gz XWJFJBRHRIKABV-FVQBIDKESA-N 1 3 304.438 0.641 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000415306440 417362081 /nfs/dbraw/zinc/36/20/81/417362081.db2.gz WSGGMTCRLZWSSU-HNNXBMFYSA-N 1 3 318.421 0.815 20 0 DCADHO CCOC(=O)CC(C)(C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414753086 417303500 /nfs/dbraw/zinc/30/35/00/417303500.db2.gz DAFAQDDOXUKQHF-CYBMUJFWSA-N 1 3 313.442 0.847 20 0 DCADHO CCOC(=O)CC(C)(C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414753086 417303508 /nfs/dbraw/zinc/30/35/08/417303508.db2.gz DAFAQDDOXUKQHF-CYBMUJFWSA-N 1 3 313.442 0.847 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000415089657 417329842 /nfs/dbraw/zinc/32/98/42/417329842.db2.gz ZDBXHFLIIZOKFD-UKRRQHHQSA-N 1 3 303.406 0.777 20 0 DCADHO COC[C@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]C1 ZINC000570273729 417333840 /nfs/dbraw/zinc/33/38/40/417333840.db2.gz MYABDZRRQBNKHK-INIZCTEOSA-N 1 3 305.378 0.733 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)n1 ZINC000415206820 417341132 /nfs/dbraw/zinc/34/11/32/417341132.db2.gz BUMVSSDVUPMPCJ-LBPRGKRZSA-N 1 3 308.430 0.954 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415214114 417343027 /nfs/dbraw/zinc/34/30/27/417343027.db2.gz MOAORDJYGISKDC-OLZOCXBDSA-N 1 3 308.430 1.084 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000627382125 417384414 /nfs/dbraw/zinc/38/44/14/417384414.db2.gz MWUWUZBFLIBFTO-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000638276180 417401077 /nfs/dbraw/zinc/40/10/77/417401077.db2.gz RDZAOMSZQYYNIR-SJORKVTESA-N 1 3 318.465 0.998 20 0 DCADHO C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)N1CC(C)C1 ZINC000570861546 417402829 /nfs/dbraw/zinc/40/28/29/417402829.db2.gz NLDKBSOSYCLDFV-HNNXBMFYSA-N 1 3 310.486 0.859 20 0 DCADHO CN(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1O ZINC000627425805 417405744 /nfs/dbraw/zinc/40/57/44/417405744.db2.gz ABUDJWBFVZUWPX-YVSFHVDLSA-N 1 3 317.433 0.465 20 0 DCADHO CN(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1O ZINC000627425805 417405748 /nfs/dbraw/zinc/40/57/48/417405748.db2.gz ABUDJWBFVZUWPX-YVSFHVDLSA-N 1 3 317.433 0.465 20 0 DCADHO CN1CCN(CCCC[NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000638361222 417433225 /nfs/dbraw/zinc/43/32/25/417433225.db2.gz ZPFITJLSNLBGAU-UHFFFAOYSA-N 1 3 312.502 0.714 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638194524 417371156 /nfs/dbraw/zinc/37/11/56/417371156.db2.gz CHRKAGVYKKVGAI-JKSUJKDBSA-N 1 3 304.438 0.704 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000528693721 417379385 /nfs/dbraw/zinc/37/93/85/417379385.db2.gz JZHIPQFPFJQQHV-ZDUSSCGKSA-N 1 3 308.430 0.906 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000638375515 417435528 /nfs/dbraw/zinc/43/55/28/417435528.db2.gz ZJBUUQXGASQGJM-MRXNPFEDSA-N 1 3 304.438 0.704 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@H]1CC[NH2+]C12CCC2 ZINC000529352714 417446493 /nfs/dbraw/zinc/44/64/93/417446493.db2.gz SNNLEJJZAZBNON-KGLIPLIRSA-N 1 3 310.442 0.417 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638433545 417455473 /nfs/dbraw/zinc/45/54/73/417455473.db2.gz WROPMIHSTNAUCB-LLVKDONJSA-N 1 3 319.409 0.641 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000638526550 417483322 /nfs/dbraw/zinc/48/33/22/417483322.db2.gz MQGSEBLUIDUARD-UHFFFAOYSA-N 1 3 304.394 0.526 20 0 DCADHO CN(C)C[C@@H](CO)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634723039 417535641 /nfs/dbraw/zinc/53/56/41/417535641.db2.gz ZEIMOUCGHGVMKP-DLBZAZTESA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)C[C@@H](CO)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634723039 417535647 /nfs/dbraw/zinc/53/56/47/417535647.db2.gz ZEIMOUCGHGVMKP-DLBZAZTESA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)C[C@@H](CO)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634723039 417535657 /nfs/dbraw/zinc/53/56/57/417535657.db2.gz ZEIMOUCGHGVMKP-DLBZAZTESA-N 1 3 307.438 0.136 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000638729608 417544645 /nfs/dbraw/zinc/54/46/45/417544645.db2.gz SUFDQLUOWQBILM-FICVDOATSA-N 1 3 307.438 0.555 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000638728966 417544814 /nfs/dbraw/zinc/54/48/14/417544814.db2.gz OBDRQHFIAWRSLG-AWEZNQCLSA-N 1 3 313.442 0.454 20 0 DCADHO O=S1(=O)CCC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000635009048 417555037 /nfs/dbraw/zinc/55/50/37/417555037.db2.gz LTFUMISLPBKWSN-LBPRGKRZSA-N 1 3 310.423 0.480 20 0 DCADHO NC(=O)C1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634636326 417522496 /nfs/dbraw/zinc/52/24/96/417522496.db2.gz AIVRIGZEMHZKDJ-GOSISDBHSA-N 1 3 317.433 0.821 20 0 DCADHO NC(=O)C1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634636326 417522499 /nfs/dbraw/zinc/52/24/99/417522499.db2.gz AIVRIGZEMHZKDJ-GOSISDBHSA-N 1 3 317.433 0.821 20 0 DCADHO CN(C)CC(C)(C)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000453627171 417525206 /nfs/dbraw/zinc/52/52/06/417525206.db2.gz UUUDYIYEHSDXMO-UHFFFAOYSA-N 1 3 306.458 0.658 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)n1 ZINC000454859724 417582949 /nfs/dbraw/zinc/58/29/49/417582949.db2.gz KQEPJFFAGATKBP-UHFFFAOYSA-N 1 3 322.457 1.441 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCCCC[N@@H+](C)C2CC2)n1 ZINC000454859724 417582955 /nfs/dbraw/zinc/58/29/55/417582955.db2.gz KQEPJFFAGATKBP-UHFFFAOYSA-N 1 3 322.457 1.441 20 0 DCADHO CN1CCC(n2cc(NC(=O)[C@@]3(C[NH3+])CCCOC3)cn2)CC1 ZINC000638977330 417593595 /nfs/dbraw/zinc/59/35/95/417593595.db2.gz KVXSWMKNEQIEHJ-MRXNPFEDSA-N 1 3 321.425 0.844 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000576293361 417598316 /nfs/dbraw/zinc/59/83/16/417598316.db2.gz SJVALEAWPCEDHU-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000576450598 417608448 /nfs/dbraw/zinc/60/84/48/417608448.db2.gz HZEXHOIVCUKWHC-MRXNPFEDSA-N 1 3 313.490 0.511 20 0 DCADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)C2)C1 ZINC000576015407 417571907 /nfs/dbraw/zinc/57/19/07/417571907.db2.gz LPLJKAREKJZEGA-GDBMZVCRSA-N 1 3 309.458 0.017 20 0 DCADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)C2)C1 ZINC000576015408 417572282 /nfs/dbraw/zinc/57/22/82/417572282.db2.gz LPLJKAREKJZEGA-GOEBONIOSA-N 1 3 309.458 0.017 20 0 DCADHO CN1C[C@@H](NC[C@H](O)C[N@H+](C)Cc2ccccc2)CCC1=O ZINC000644571510 417621151 /nfs/dbraw/zinc/62/11/51/417621151.db2.gz AVABBGNHMIJDKQ-HOTGVXAUSA-N 1 3 305.422 0.690 20 0 DCADHO CN1C[C@@H](NC[C@H](O)C[N@@H+](C)Cc2ccccc2)CCC1=O ZINC000644571510 417621154 /nfs/dbraw/zinc/62/11/54/417621154.db2.gz AVABBGNHMIJDKQ-HOTGVXAUSA-N 1 3 305.422 0.690 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000296586352 226021402 /nfs/dbraw/zinc/02/14/02/226021402.db2.gz XGHVLKYGWZHLQX-CXAGYDPISA-N 1 3 315.421 0.819 20 0 DCADHO CCC[NH2+]CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000639169485 417632475 /nfs/dbraw/zinc/63/24/75/417632475.db2.gz VAWCIWOIVYYVAQ-HNNXBMFYSA-N 1 3 311.474 0.407 20 0 DCADHO O[C@@H](CNC1CCN(c2cnccn2)CC1)C[NH+]1CCCC1 ZINC000532212393 417666424 /nfs/dbraw/zinc/66/64/24/417666424.db2.gz RGQLOMZTRGPKOB-HNNXBMFYSA-N 1 3 305.426 0.492 20 0 DCADHO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635556938 417701791 /nfs/dbraw/zinc/70/17/91/417701791.db2.gz XEDYKLBFHUUIIG-INIZCTEOSA-N 1 3 308.470 0.757 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000645953462 417830025 /nfs/dbraw/zinc/83/00/25/417830025.db2.gz UVJKQYIZSSZGQR-UONOGXRCSA-N 1 3 318.425 0.417 20 0 DCADHO C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCCC1 ZINC000662525013 417793834 /nfs/dbraw/zinc/79/38/34/417793834.db2.gz OJNKRPJMCJAOKQ-LBPRGKRZSA-N 1 3 306.414 0.417 20 0 DCADHO CN(C)CCn1cc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000645803342 417797155 /nfs/dbraw/zinc/79/71/55/417797155.db2.gz RXENKCHFVISHMU-LLVKDONJSA-N 1 3 317.397 0.497 20 0 DCADHO C[NH+](C)[C@@H](CC(=O)NCCN1CC[C@H](O)C1)c1ccccc1 ZINC000629916200 417801276 /nfs/dbraw/zinc/80/12/76/417801276.db2.gz NNWOEFUGCSGAAN-HOTGVXAUSA-N 1 3 305.422 0.862 20 0 DCADHO NC(C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(F)(F)F ZINC000662614673 417822261 /nfs/dbraw/zinc/82/22/61/417822261.db2.gz UFALLCPJIYIQMT-GFCCVEGCSA-N 1 3 323.359 0.883 20 0 DCADHO COCCCN1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652145262 417851608 /nfs/dbraw/zinc/85/16/08/417851608.db2.gz IWBAONOSLVQTHG-UHFFFAOYSA-N 1 3 312.458 0.916 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652149833 417851975 /nfs/dbraw/zinc/85/19/75/417851975.db2.gz CIENQCRQYWRIAY-HNNXBMFYSA-N 1 3 312.458 0.786 20 0 DCADHO COCCCN(C)CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652159277 417853639 /nfs/dbraw/zinc/85/36/39/417853639.db2.gz UYHUJYKTXDQGPK-UHFFFAOYSA-N 1 3 300.447 0.644 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652192333 417860754 /nfs/dbraw/zinc/86/07/54/417860754.db2.gz YLYILHADIUPVLX-AJNGGQMLSA-N 1 3 312.458 0.864 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000662703799 417861133 /nfs/dbraw/zinc/86/11/33/417861133.db2.gz NNLSQIDLUKPCPJ-ZDUSSCGKSA-N 1 3 320.441 0.725 20 0 DCADHO C[C@@H](NC(=O)CC1(C[NH3+])CC1)C(=O)NCCN1CCCCC1 ZINC000646557956 417868296 /nfs/dbraw/zinc/86/82/96/417868296.db2.gz UBUSYOPDBIUOOK-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)n1 ZINC000636099653 417868713 /nfs/dbraw/zinc/86/87/13/417868713.db2.gz FCLHZLKCWNMGLW-OKILXGFUSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000636099870 417868872 /nfs/dbraw/zinc/86/88/72/417868872.db2.gz GKUUOQHSZUDGTF-GASCZTMLSA-N 1 3 305.426 0.801 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662714764 417869507 /nfs/dbraw/zinc/86/95/07/417869507.db2.gz AUTQGRWYNKGEQS-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662744927 417882853 /nfs/dbraw/zinc/88/28/53/417882853.db2.gz AILAZFIPBNFBBC-WFASDCNBSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662802176 417909614 /nfs/dbraw/zinc/90/96/14/417909614.db2.gz ZMIYBAGDBQEISV-FVQBIDKESA-N 1 3 305.422 0.987 20 0 DCADHO CCO[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)C[C@H]1C[NH3+] ZINC000652356516 417889984 /nfs/dbraw/zinc/88/99/84/417889984.db2.gz OMIROMBWIKETTL-CZUORRHYSA-N 1 3 324.469 0.025 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCN1 ZINC000662769598 417897216 /nfs/dbraw/zinc/89/72/16/417897216.db2.gz HHKZNGSFECISLK-UONOGXRCSA-N 1 3 320.441 0.663 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000662794368 417907527 /nfs/dbraw/zinc/90/75/27/417907527.db2.gz NNBLRFWTZMVZBZ-HOTGVXAUSA-N 1 3 318.421 0.778 20 0 DCADHO N[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000662860157 417931263 /nfs/dbraw/zinc/93/12/63/417931263.db2.gz QUEMUQGFDDKSRT-DLBZAZTESA-N 1 3 317.433 0.997 20 0 DCADHO N[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000662860157 417931266 /nfs/dbraw/zinc/93/12/66/417931266.db2.gz QUEMUQGFDDKSRT-DLBZAZTESA-N 1 3 317.433 0.997 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000662867363 417933764 /nfs/dbraw/zinc/93/37/64/417933764.db2.gz ZEELEHUSPQZJKT-PMPSAXMXSA-N 1 3 321.396 0.766 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673017 417940920 /nfs/dbraw/zinc/94/09/20/417940920.db2.gz CFONKFUMZGDDBH-KBPBESRZSA-N 1 3 324.469 0.468 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652692833 417946191 /nfs/dbraw/zinc/94/61/91/417946191.db2.gz DWKMAJBHCYEPCF-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652703222 417949301 /nfs/dbraw/zinc/94/93/01/417949301.db2.gz NEFKFOJFMYPVOL-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000662981287 417970077 /nfs/dbraw/zinc/97/00/77/417970077.db2.gz OUEDPVGNJFAJDS-HIFRSBDPSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C)CCOc1ccc(CN2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000647539229 418021937 /nfs/dbraw/zinc/02/19/37/418021937.db2.gz IOPSXRMMBPFYML-INIZCTEOSA-N 1 3 306.454 0.702 20 0 DCADHO CCNC(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663484508 418023260 /nfs/dbraw/zinc/02/32/60/418023260.db2.gz ZZERIYUCYRYEPT-STQMWFEESA-N 1 3 315.462 0.082 20 0 DCADHO CCNC(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663484508 418023262 /nfs/dbraw/zinc/02/32/62/418023262.db2.gz ZZERIYUCYRYEPT-STQMWFEESA-N 1 3 315.462 0.082 20 0 DCADHO CN1CCN(CC2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000653148585 418036928 /nfs/dbraw/zinc/03/69/28/418036928.db2.gz DKKXKUUKXBJQFA-DLBZAZTESA-N 1 3 322.497 0.990 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N(C2CC2)C2CC[NH2+]CC2)C1=O ZINC000647643836 418037019 /nfs/dbraw/zinc/03/70/19/418037019.db2.gz WTJMMORJXOQQIC-AWEZNQCLSA-N 1 3 308.426 0.069 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000653180251 418042251 /nfs/dbraw/zinc/04/22/51/418042251.db2.gz SNAOVLWACANAOB-LBPRGKRZSA-N 1 3 305.369 0.458 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000653182092 418042303 /nfs/dbraw/zinc/04/23/03/418042303.db2.gz NJSJFXITPDMDHO-UHFFFAOYSA-N 1 3 317.433 0.710 20 0 DCADHO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@@H]1CC[NH3+] ZINC000653241053 418046438 /nfs/dbraw/zinc/04/64/38/418046438.db2.gz XFTIOPHUZJKUFO-RBSFLKMASA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659528630 418111598 /nfs/dbraw/zinc/11/15/98/418111598.db2.gz FEIJCJCYTLZVTR-CJNGLKHVSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659534568 418113339 /nfs/dbraw/zinc/11/33/39/418113339.db2.gz DPDDEZFKYIUVCP-YUELXQCFSA-N 1 3 310.442 0.537 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659542172 418115107 /nfs/dbraw/zinc/11/51/07/418115107.db2.gz YPAOYYJBIJUYCY-SNPRPXQTSA-N 1 3 310.442 0.809 20 0 DCADHO CN(CCC(=O)Nc1ccc(F)cc1)CCN1CC[NH2+]CC1 ZINC000647835570 418060596 /nfs/dbraw/zinc/06/05/96/418060596.db2.gz CEAKSJRRBKZMSP-UHFFFAOYSA-N 1 3 308.401 0.991 20 0 DCADHO CNS(=O)(=O)C[C@H]1CCCN1CCCC1CC[NH2+]CC1 ZINC000647890755 418071349 /nfs/dbraw/zinc/07/13/49/418071349.db2.gz ODNOBBFNFRDTAL-CQSZACIVSA-N 1 3 303.472 0.780 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659558723 418118502 /nfs/dbraw/zinc/11/85/02/418118502.db2.gz CZPXKKZUJZCRNA-UHFFFAOYSA-N 1 3 324.429 0.418 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659558723 418118506 /nfs/dbraw/zinc/11/85/06/418118506.db2.gz CZPXKKZUJZCRNA-UHFFFAOYSA-N 1 3 324.429 0.418 20 0 DCADHO C[C@H]1C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)CCN1C ZINC000664219894 418098851 /nfs/dbraw/zinc/09/88/51/418098851.db2.gz USBXXKYMIGGBPX-LSDHHAIUSA-N 1 3 313.490 0.652 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648147147 418107711 /nfs/dbraw/zinc/10/77/11/418107711.db2.gz WQRBQRCRPDZTKT-XQQFMLRXSA-N 1 3 317.380 0.586 20 0 DCADHO C[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@@H]1C[NH3+] ZINC000659607606 418124298 /nfs/dbraw/zinc/12/42/98/418124298.db2.gz CEMATJIGUFERSX-IJEWVQPXSA-N 1 3 324.469 0.866 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659608852 418125393 /nfs/dbraw/zinc/12/53/93/418125393.db2.gz RKFNKGVMAZIJRI-IMJJTQAJSA-N 1 3 322.453 0.633 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617835 418129031 /nfs/dbraw/zinc/12/90/31/418129031.db2.gz JJBOAHBPPYEWMF-BBBYJDLNSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659628856 418131665 /nfs/dbraw/zinc/13/16/65/418131665.db2.gz KAGVKAQXRZMATA-MWLCHTKSSA-N 1 3 308.386 0.052 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000654004983 418121011 /nfs/dbraw/zinc/12/10/11/418121011.db2.gz LVODDPPODLMJED-BETUJISGSA-N 1 3 308.430 0.906 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000659755924 418177379 /nfs/dbraw/zinc/17/73/79/418177379.db2.gz NJCXLCUOGIRMEA-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659680278 418144390 /nfs/dbraw/zinc/14/43/90/418144390.db2.gz DMIKBJIARMXFHE-YRFCHQJDSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCC(C)CC1 ZINC000659688555 418147299 /nfs/dbraw/zinc/14/72/99/418147299.db2.gz AQULAUVMGMSUMG-CBCUQQMYSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659696901 418150499 /nfs/dbraw/zinc/15/04/99/418150499.db2.gz CTMJLQQIJINOGL-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000659710005 418156651 /nfs/dbraw/zinc/15/66/51/418156651.db2.gz NXALYDXYDRHDNL-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000659716190 418159585 /nfs/dbraw/zinc/15/95/85/418159585.db2.gz URJCAAQPFIIGBT-MELADBBJSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659722786 418162811 /nfs/dbraw/zinc/16/28/11/418162811.db2.gz PCFADCMUZKQRBI-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC[NH2+]1 ZINC000659723492 418164114 /nfs/dbraw/zinc/16/41/14/418164114.db2.gz RHPDZAIZMMLWKT-FRRDWIJNSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659729642 418165755 /nfs/dbraw/zinc/16/57/55/418165755.db2.gz VCRCGKCIRPIMOK-GFCCVEGCSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCC2)CCN1C ZINC000659732854 418168582 /nfs/dbraw/zinc/16/85/82/418168582.db2.gz UVNDJPPQVDBNTD-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649074773 418193201 /nfs/dbraw/zinc/19/32/01/418193201.db2.gz PGJRNUZRPUBYCY-MGPQQGTHSA-N 1 3 310.442 0.438 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)N1CCCCC1 ZINC000649271689 418216954 /nfs/dbraw/zinc/21/69/54/418216954.db2.gz SFZDWZFNGIVZDL-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c2ncnn21 ZINC000665602382 418225812 /nfs/dbraw/zinc/22/58/12/418225812.db2.gz PFCXMHLECWUJEW-CHWSQXEVSA-N 1 3 323.445 0.419 20 0 DCADHO [NH3+]CCOCC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000649296051 418226001 /nfs/dbraw/zinc/22/60/01/418226001.db2.gz VXCGUEQNAOJVDG-UHFFFAOYSA-N 1 3 307.394 0.557 20 0 DCADHO CC[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CC[C@H]1[NH3+] ZINC000649416616 418254097 /nfs/dbraw/zinc/25/40/97/418254097.db2.gz GJZCJHGDCFFYPR-CZUORRHYSA-N 1 3 308.470 0.789 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CO)C1 ZINC000665636963 418229077 /nfs/dbraw/zinc/22/90/77/418229077.db2.gz OZWQBKXXFSRXIP-GJZGRUSLSA-N 1 3 314.474 0.672 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CO)C1 ZINC000665636963 418229080 /nfs/dbraw/zinc/22/90/80/418229080.db2.gz OZWQBKXXFSRXIP-GJZGRUSLSA-N 1 3 314.474 0.672 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649318743 418235587 /nfs/dbraw/zinc/23/55/87/418235587.db2.gz HBMAXVMKINQFQB-VXGBXAGGSA-N 1 3 305.369 0.458 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655915438 418300490 /nfs/dbraw/zinc/30/04/90/418300490.db2.gz NIIIHCPQSAVHER-SECBINFHSA-N 1 3 300.325 0.096 20 0 DCADHO CNCc1ccccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655954625 418306342 /nfs/dbraw/zinc/30/63/42/418306342.db2.gz BXJYALUEIZQDFO-XBXGTLAGSA-N 1 3 318.421 0.801 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655960888 418306704 /nfs/dbraw/zinc/30/67/04/418306704.db2.gz BURFUWIDYJBMQP-HZPDHXFCSA-N 1 3 323.485 0.598 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000655961205 418307880 /nfs/dbraw/zinc/30/78/80/418307880.db2.gz JKKIJJBBEYZKOL-UHFFFAOYSA-N 1 3 311.474 0.407 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655969567 418309261 /nfs/dbraw/zinc/30/92/61/418309261.db2.gz KXWABBXSKJVURM-SOUVJXGZSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[C@H]1[NH3+] ZINC000656028163 418320946 /nfs/dbraw/zinc/32/09/46/418320946.db2.gz IGRXRHCWOWXYPA-TUVASFSCSA-N 1 3 322.453 0.315 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449396 418262851 /nfs/dbraw/zinc/26/28/51/418262851.db2.gz DHQJLGDFJFTADV-WBVHZDCISA-N 1 3 308.470 0.520 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)CN1CCN(C)CC1 ZINC000655449828 418263661 /nfs/dbraw/zinc/26/36/61/418263661.db2.gz QJNLOQBKXUSANM-INMHGKMJSA-N 1 3 308.470 0.376 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCC1 ZINC000656327869 418346656 /nfs/dbraw/zinc/34/66/56/418346656.db2.gz FEYZZZIHAMCOQJ-BETUJISGSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](Cn1ccnc1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000656540259 418361166 /nfs/dbraw/zinc/36/11/66/418361166.db2.gz FHULLDILDTUASF-GJZGRUSLSA-N 1 3 324.473 0.843 20 0 DCADHO C[C@@H](Cn1ccnc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000656540259 418361169 /nfs/dbraw/zinc/36/11/69/418361169.db2.gz FHULLDILDTUASF-GJZGRUSLSA-N 1 3 324.473 0.843 20 0 DCADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC[C@@H]1CCCO1 ZINC000662295648 418398760 /nfs/dbraw/zinc/39/87/60/418398760.db2.gz WETGTMYZYCDVGE-CVEARBPZSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC1CC[NH2+]CC1 ZINC000237017498 261157037 /nfs/dbraw/zinc/15/70/37/261157037.db2.gz RSLWIXCJUZVEIJ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340217685 261182863 /nfs/dbraw/zinc/18/28/63/261182863.db2.gz LTNUGZYKLHWUNG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354943484 261290382 /nfs/dbraw/zinc/29/03/82/261290382.db2.gz SJUBEKZXDYKBQH-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354943484 261290383 /nfs/dbraw/zinc/29/03/83/261290383.db2.gz SJUBEKZXDYKBQH-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO COC[C@]1(CNC(=O)[C@H](CN)c2ccc(F)cc2)CCC[NH2+]1 ZINC000357288081 261523696 /nfs/dbraw/zinc/52/36/96/261523696.db2.gz NPPXKQXWXLPXDR-GDBMZVCRSA-N 1 3 309.385 0.753 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362755129 262068116 /nfs/dbraw/zinc/06/81/16/262068116.db2.gz FENCPRRPZVZHHT-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362755129 262068120 /nfs/dbraw/zinc/06/81/20/262068120.db2.gz FENCPRRPZVZHHT-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000362764143 262069280 /nfs/dbraw/zinc/06/92/80/262069280.db2.gz ZGQQUPRZBPZRAZ-DZGCQCFKSA-N 1 3 324.469 0.101 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000362764143 262069282 /nfs/dbraw/zinc/06/92/82/262069282.db2.gz ZGQQUPRZBPZRAZ-DZGCQCFKSA-N 1 3 324.469 0.101 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417941579 262265900 /nfs/dbraw/zinc/26/59/00/262265900.db2.gz ASNZZRGZOCBRPA-AWEZNQCLSA-N 1 3 323.441 0.805 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@@H]([NH3+])C2)ccn1 ZINC000417949945 262265960 /nfs/dbraw/zinc/26/59/60/262265960.db2.gz LDVFNYFTBMZRKS-CQSZACIVSA-N 1 3 321.425 0.655 20 0 DCADHO COCC1(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)CC[NH2+]CC1 ZINC000418005637 262267546 /nfs/dbraw/zinc/26/75/46/262267546.db2.gz PFQFPQLCHZTIAC-KBPBESRZSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000418009550 262267552 /nfs/dbraw/zinc/26/75/52/262267552.db2.gz ILIOHTOTGDPTGK-GOEBONIOSA-N 1 3 320.437 0.470 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCN1C ZINC000418001438 262267638 /nfs/dbraw/zinc/26/76/38/262267638.db2.gz KQTKWZUDRWCQGW-ILXRZTDVSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NCC[C@@H]2CC[NH2+]C2)CCCO1 ZINC000418115997 262270681 /nfs/dbraw/zinc/27/06/81/262270681.db2.gz PMRXKCQUPSUNOU-GJZGRUSLSA-N 1 3 312.458 0.786 20 0 DCADHO C[NH2+]CCNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418322819 262274831 /nfs/dbraw/zinc/27/48/31/262274831.db2.gz FCVWWBMXILZAHN-QGZVFWFLSA-N 1 3 320.437 0.484 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCCN1CCO ZINC000418357409 262275175 /nfs/dbraw/zinc/27/51/75/262275175.db2.gz ZHIVJRMSQRYNEU-CABCVRRESA-N 1 3 312.458 0.522 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418516384 262280019 /nfs/dbraw/zinc/28/00/19/262280019.db2.gz RYCWJMBBAMBCEY-RHSMWYFYSA-N 1 3 320.437 0.612 20 0 DCADHO COc1cnccc1N1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418516292 262280244 /nfs/dbraw/zinc/28/02/44/262280244.db2.gz XFRSRZXSODQPHV-UHFFFAOYSA-N 1 3 307.398 0.661 20 0 DCADHO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1CCCC1 ZINC000418607214 262283874 /nfs/dbraw/zinc/28/38/74/262283874.db2.gz AMPPPPOGLUAXTL-HUUCEWRRSA-N 1 3 312.458 0.650 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418648955 262284918 /nfs/dbraw/zinc/28/49/18/262284918.db2.gz IJEMYRKOVJXXPZ-HIFRSBDPSA-N 1 3 306.410 0.618 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418674070 262285999 /nfs/dbraw/zinc/28/59/99/262285999.db2.gz WAJUXYYLBMFELL-SHTZXODSSA-N 1 3 314.474 0.971 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418803448 262291191 /nfs/dbraw/zinc/29/11/91/262291191.db2.gz WHADASAEPOEDKC-KCQAQPDRSA-N 1 3 303.410 0.603 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000418846834 262292767 /nfs/dbraw/zinc/29/27/67/262292767.db2.gz ZFIJTIAWMRCNLI-CQSZACIVSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419019832 262305357 /nfs/dbraw/zinc/30/53/57/262305357.db2.gz DZIRGYNBPWJFTI-LXTVHRRPSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419071525 262306091 /nfs/dbraw/zinc/30/60/91/262306091.db2.gz AJGAASPZHDDOIH-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419096172 262308967 /nfs/dbraw/zinc/30/89/67/262308967.db2.gz CATCNKQVADTAEA-NFOMZHRRSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000419096007 262309040 /nfs/dbraw/zinc/30/90/40/262309040.db2.gz BOXVWURBQLPXTF-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419124632 262311052 /nfs/dbraw/zinc/31/10/52/262311052.db2.gz RFBXNKCWDZCWKK-ILXRZTDVSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)CN)CC1 ZINC000419160356 262314552 /nfs/dbraw/zinc/31/45/52/262314552.db2.gz ZADLDNOVWFKYQC-CYBMUJFWSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N1CCC(C)CC1 ZINC000419163310 262315178 /nfs/dbraw/zinc/31/51/78/262315178.db2.gz WFEKSDCWWOHZPD-CQSZACIVSA-N 1 3 324.469 0.420 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419175989 262317855 /nfs/dbraw/zinc/31/78/55/262317855.db2.gz YLRLJLZMCDACPG-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)CCN ZINC000419199640 262318754 /nfs/dbraw/zinc/31/87/54/262318754.db2.gz DYMANMLRRATNEE-UHFFFAOYSA-N 1 3 320.437 0.560 20 0 DCADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)CCN ZINC000419199640 262318757 /nfs/dbraw/zinc/31/87/57/262318757.db2.gz DYMANMLRRATNEE-UHFFFAOYSA-N 1 3 320.437 0.560 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419220968 262320194 /nfs/dbraw/zinc/32/01/94/262320194.db2.gz AJEQROJHEXBCSF-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419284145 262324278 /nfs/dbraw/zinc/32/42/78/262324278.db2.gz KINPLBRQPSUOAU-KGLIPLIRSA-N 1 3 312.458 0.278 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419369053 262327665 /nfs/dbraw/zinc/32/76/65/262327665.db2.gz GZIFDEDTFNPVPP-GJZGRUSLSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419406353 262330519 /nfs/dbraw/zinc/33/05/19/262330519.db2.gz IPIOAPULDPVRHJ-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000419409636 262330966 /nfs/dbraw/zinc/33/09/66/262330966.db2.gz NHTDJETXIFUQAU-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419411266 262331089 /nfs/dbraw/zinc/33/10/89/262331089.db2.gz BJUXKZNIPMGHJL-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000419419605 262332339 /nfs/dbraw/zinc/33/23/39/262332339.db2.gz ZHCSPSGIUOUCEG-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000419422874 262332543 /nfs/dbraw/zinc/33/25/43/262332543.db2.gz MWEIASWIEDEXKO-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419423370 262332553 /nfs/dbraw/zinc/33/25/53/262332553.db2.gz NGRWGSWMPPYTDB-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000419424890 262332943 /nfs/dbraw/zinc/33/29/43/262332943.db2.gz PAAGYUQCHHFATJ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C(=O)C(=O)NCCN(C)[C@H](C)CC)[C@@H]1CC[NH2+]C1 ZINC000419508837 262336283 /nfs/dbraw/zinc/33/62/83/262336283.db2.gz DHMBBACYLRMDSO-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)C1CC1 ZINC000419509207 262336620 /nfs/dbraw/zinc/33/66/20/262336620.db2.gz DOPBXYMMZLWAGV-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419519065 262336900 /nfs/dbraw/zinc/33/69/00/262336900.db2.gz FMHKADKHVZADEX-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)N(C)C1CC1 ZINC000419593758 262339587 /nfs/dbraw/zinc/33/95/87/262339587.db2.gz UCSYYDSVIWSSHF-NEPJUHHUSA-N 1 3 310.442 0.171 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419963084 262354190 /nfs/dbraw/zinc/35/41/90/262354190.db2.gz YNMZJSSUIFATLP-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419994543 262356660 /nfs/dbraw/zinc/35/66/60/262356660.db2.gz JLTXIRSKKYYZKU-MCIONIFRSA-N 1 3 312.458 0.323 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH3+])o1 ZINC000419996887 262356714 /nfs/dbraw/zinc/35/67/14/262356714.db2.gz OBUIHTPVCQQNCA-GFCCVEGCSA-N 1 3 324.425 0.332 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCC1 ZINC000420098236 262360484 /nfs/dbraw/zinc/36/04/84/262360484.db2.gz WQKLDXNSXGBPPK-CYBMUJFWSA-N 1 3 308.426 0.071 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420133079 262362156 /nfs/dbraw/zinc/36/21/56/262362156.db2.gz YSEKEXXRZHNFNG-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H](O)CN ZINC000420351072 262370701 /nfs/dbraw/zinc/37/07/01/262370701.db2.gz IYNARDVDPNOQBV-GDBMZVCRSA-N 1 3 305.422 0.822 20 0 DCADHO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H](O)CN ZINC000420351072 262370702 /nfs/dbraw/zinc/37/07/02/262370702.db2.gz IYNARDVDPNOQBV-GDBMZVCRSA-N 1 3 305.422 0.822 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)NC1CCN(C2CC2)CC1 ZINC000420357411 262370759 /nfs/dbraw/zinc/37/07/59/262370759.db2.gz DJHBNRABLPJJAA-PBFPGSCMSA-N 1 3 308.470 0.706 20 0 DCADHO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1[NH3+] ZINC000420366681 262372306 /nfs/dbraw/zinc/37/23/06/262372306.db2.gz JNXPXANSXATEDA-BMFZPTHFSA-N 1 3 304.438 0.685 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422114324 262396625 /nfs/dbraw/zinc/39/66/25/262396625.db2.gz LNCKHAUEHGCOQW-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422114324 262396626 /nfs/dbraw/zinc/39/66/26/262396626.db2.gz LNCKHAUEHGCOQW-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C[C@H]2N)cn1 ZINC000424242919 262487938 /nfs/dbraw/zinc/48/79/38/262487938.db2.gz RIARSGYYCPGMAW-GAUGTXIDSA-N 1 3 317.437 0.594 20 0 DCADHO CN(CCCCC[N@H+](C)[C@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000352659145 270971602 /nfs/dbraw/zinc/97/16/02/270971602.db2.gz LTSROMJHIGQPDL-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CN(CCCCC[N@@H+](C)[C@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000352659145 270971604 /nfs/dbraw/zinc/97/16/04/270971604.db2.gz LTSROMJHIGQPDL-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000363481632 271194346 /nfs/dbraw/zinc/19/43/46/271194346.db2.gz UDTXNFIZSGOIRJ-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)CCN(C(=O)NCCN1CC[NH2+]CC1)C1CCCC1 ZINC000418302075 271242674 /nfs/dbraw/zinc/24/26/74/271242674.db2.gz SGOFWFAEYCLBLM-UHFFFAOYSA-N 1 3 311.474 0.407 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418439105 271244335 /nfs/dbraw/zinc/24/43/35/271244335.db2.gz JPQZVAUJCJZBEB-CABCVRRESA-N 1 3 314.474 0.752 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419025108 271265801 /nfs/dbraw/zinc/26/58/01/271265801.db2.gz LTPCURHBYOUJMM-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419032804 271269115 /nfs/dbraw/zinc/26/91/15/271269115.db2.gz XGOFAEDLZGLQLX-JHJVBQTASA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N(C)C1CC1 ZINC000419578462 271309149 /nfs/dbraw/zinc/30/91/49/271309149.db2.gz DVHFPJHXXGCHCS-LRDDRELGSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419582779 271311926 /nfs/dbraw/zinc/31/19/26/271311926.db2.gz JPIHLKAVCBVXPS-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@@H](C)N(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000419581595 271311935 /nfs/dbraw/zinc/31/19/35/271311935.db2.gz IQXWPTNRYKRNKO-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419703873 271321990 /nfs/dbraw/zinc/32/19/90/271321990.db2.gz XBKUERUXVLIYGW-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H](CN)C2CC2)CCCCC1 ZINC000419815979 271327897 /nfs/dbraw/zinc/32/78/97/271327897.db2.gz LCJLYESLEZIVBT-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419833649 271331878 /nfs/dbraw/zinc/33/18/78/271331878.db2.gz QHRHJGWMIWNTDG-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419936855 271345478 /nfs/dbraw/zinc/34/54/78/271345478.db2.gz FELNIEXLXXYHGP-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419949320 271349460 /nfs/dbraw/zinc/34/94/60/271349460.db2.gz GZMAVPWZBFLOTC-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC000424140899 271401613 /nfs/dbraw/zinc/40/16/13/271401613.db2.gz FYEIBYJUICOJMS-CVEARBPZSA-N 1 3 302.422 0.397 20 0 DCADHO CN(C)C[C@](C)(O)CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000458858406 271976109 /nfs/dbraw/zinc/97/61/09/271976109.db2.gz UBVHJBDHPMQFMF-MRXNPFEDSA-N 1 3 314.474 0.864 20 0 DCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000519764350 287681657 /nfs/dbraw/zinc/68/16/57/287681657.db2.gz DBKXPIRROQWKOL-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000420020709 274215572 /nfs/dbraw/zinc/21/55/72/274215572.db2.gz GFCCQEJMMDVTDH-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CN1CCN(CCCNC(=O)NCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417013478 277105185 /nfs/dbraw/zinc/10/51/85/277105185.db2.gz CKWLXNJTOYNKEM-INIZCTEOSA-N 1 3 319.453 0.623 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1cncn1 ZINC000337568252 279329000 /nfs/dbraw/zinc/32/90/00/279329000.db2.gz BCXSPESHTWCQHL-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1cncn1 ZINC000337568252 279329001 /nfs/dbraw/zinc/32/90/01/279329001.db2.gz BCXSPESHTWCQHL-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@@H]1CN(CCC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CCCO1 ZINC000423080714 288163057 /nfs/dbraw/zinc/16/30/57/288163057.db2.gz ZYQAOHQGBYOIGM-PVAVHDDUSA-N 1 3 311.470 0.844 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C(C)C)N1CCN(C)CC1)[NH+](C)C ZINC000121683134 280174053 /nfs/dbraw/zinc/17/40/53/280174053.db2.gz RAFSVYOUYRXNTO-HZPDHXFCSA-N 1 3 312.502 0.961 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000418554487 281822217 /nfs/dbraw/zinc/82/22/17/281822217.db2.gz IHTQYAOSVSGJJA-RRFJBIMHSA-N 1 3 312.458 0.519 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000563647315 288695577 /nfs/dbraw/zinc/69/55/77/288695577.db2.gz KFJHAEGUXHHTKE-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564795214 288768994 /nfs/dbraw/zinc/76/89/94/288768994.db2.gz IOFSURQFLIIWAV-HZSPNIEDSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000565254272 288839121 /nfs/dbraw/zinc/83/91/21/288839121.db2.gz MKBKWXPCOAFKGX-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)C1CCN(CCN[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000341715781 289069872 /nfs/dbraw/zinc/06/98/72/289069872.db2.gz WLNJZQQLFUWUAO-ZDUSSCGKSA-N 1 3 303.472 0.179 20 0 DCADHO Cn1cc(N2CC[C@H](N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2=O)cn1 ZINC000420328759 294253593 /nfs/dbraw/zinc/25/35/93/294253593.db2.gz MYPTXJGQNXCKJT-FMKPAKJESA-N 1 3 317.437 0.847 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CCCO1 ZINC000333600529 295259611 /nfs/dbraw/zinc/25/96/11/295259611.db2.gz BXAHSSNIGUKUHR-HUUCEWRRSA-N 1 3 310.442 0.763 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000346529796 300231366 /nfs/dbraw/zinc/23/13/66/300231366.db2.gz BQPQTBDBANOCJR-WFASDCNBSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000346529796 300231367 /nfs/dbraw/zinc/23/13/67/300231367.db2.gz BQPQTBDBANOCJR-WFASDCNBSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000346529080 300231405 /nfs/dbraw/zinc/23/14/05/300231405.db2.gz MCFJTUFTHYFJQW-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000570865573 332832702 /nfs/dbraw/zinc/83/27/02/332832702.db2.gz AGTCXWYZIXLMGG-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000584292827 332221124 /nfs/dbraw/zinc/22/11/24/332221124.db2.gz LFAIIRIDIFRIFB-QGZVFWFLSA-N 1 3 308.470 0.472 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)COCc1cccnc1 ZINC000580346051 335125903 /nfs/dbraw/zinc/12/59/03/335125903.db2.gz DDLCOLWIPRJXPZ-UHFFFAOYSA-N 1 3 308.426 0.550 20 0 DCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000582119468 333294694 /nfs/dbraw/zinc/29/46/94/333294694.db2.gz VYPCXQGHKHVECJ-GUTXKFCHSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H](O)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000582601418 337112098 /nfs/dbraw/zinc/11/20/98/337112098.db2.gz KECONJZGKSDOJM-ZDUSSCGKSA-N 1 3 305.422 0.854 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000584467717 337347434 /nfs/dbraw/zinc/34/74/34/337347434.db2.gz CKNMBPLYUWIEME-HOCLYGCPSA-N 1 3 303.406 0.710 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000576041371 341821973 /nfs/dbraw/zinc/82/19/73/341821973.db2.gz ACCSEKJKJIQXMR-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H](C)C(N)=O ZINC001566550091 1159830668 /nfs/dbraw/zinc/83/06/68/1159830668.db2.gz CSPHZDIIDMLNOC-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H](C)C(N)=O ZINC001566550091 1159830680 /nfs/dbraw/zinc/83/06/80/1159830680.db2.gz CSPHZDIIDMLNOC-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH2+]C)CC1=O ZINC000247309051 521633526 /nfs/dbraw/zinc/63/35/26/521633526.db2.gz QOIYLMPOLXSJPA-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[NH2+]2)CC1=O ZINC000247331226 521634202 /nfs/dbraw/zinc/63/42/02/521634202.db2.gz VAFZJKKYNCONLF-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCO[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000365667186 521704574 /nfs/dbraw/zinc/70/45/74/521704574.db2.gz VQGMYLSWSNZHOW-OAHLLOKOSA-N 1 3 314.474 0.049 20 0 DCADHO CCN1CCO[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000365667186 521704582 /nfs/dbraw/zinc/70/45/82/521704582.db2.gz VQGMYLSWSNZHOW-OAHLLOKOSA-N 1 3 314.474 0.049 20 0 DCADHO CCN1CCO[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000365667186 521704584 /nfs/dbraw/zinc/70/45/84/521704584.db2.gz VQGMYLSWSNZHOW-OAHLLOKOSA-N 1 3 314.474 0.049 20 0 DCADHO COCCN(C)CCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457825593 536786684 /nfs/dbraw/zinc/78/66/84/536786684.db2.gz YUPQUPIYLVVLSJ-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO COCCN(C)CCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000457825593 536786691 /nfs/dbraw/zinc/78/66/91/536786691.db2.gz YUPQUPIYLVVLSJ-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO CCN(CCCCC[N@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440965788 546254402 /nfs/dbraw/zinc/25/44/02/546254402.db2.gz HXGVJMOVVKKNFD-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCCC[N@@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440965788 546254406 /nfs/dbraw/zinc/25/44/06/546254406.db2.gz HXGVJMOVVKKNFD-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CC[C@H]([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000452110657 546260993 /nfs/dbraw/zinc/26/09/93/546260993.db2.gz AFMPQJUWHWPYQZ-WCXIOVBPSA-N 1 3 313.486 0.871 20 0 DCADHO CC(C)N1CC[C@H]([N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000452110657 546261000 /nfs/dbraw/zinc/26/10/00/546261000.db2.gz AFMPQJUWHWPYQZ-WCXIOVBPSA-N 1 3 313.486 0.871 20 0 DCADHO CC(C)N1CC[C@H]([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000452110656 546261096 /nfs/dbraw/zinc/26/10/96/546261096.db2.gz AFMPQJUWHWPYQZ-VVLHAWIVSA-N 1 3 313.486 0.871 20 0 DCADHO CC(C)N1CC[C@H]([N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000452110656 546261101 /nfs/dbraw/zinc/26/11/01/546261101.db2.gz AFMPQJUWHWPYQZ-VVLHAWIVSA-N 1 3 313.486 0.871 20 0 DCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615273593 546317127 /nfs/dbraw/zinc/31/71/27/546317127.db2.gz UCRGFAYUIFWOAN-CQSZACIVSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CC1 ZINC000665759775 546394442 /nfs/dbraw/zinc/39/44/42/546394442.db2.gz PFTSRPSFPJGOTK-ZDUSSCGKSA-N 1 3 300.447 0.330 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CC1 ZINC000665759775 546394446 /nfs/dbraw/zinc/39/44/46/546394446.db2.gz PFTSRPSFPJGOTK-ZDUSSCGKSA-N 1 3 300.447 0.330 20 0 DCADHO CC[C@@]1(O)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665761375 546395008 /nfs/dbraw/zinc/39/50/08/546395008.db2.gz AZNWLFQDPIMXSD-GOEBONIOSA-N 1 3 314.474 0.815 20 0 DCADHO CC[C@@]1(O)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665761375 546395011 /nfs/dbraw/zinc/39/50/11/546395011.db2.gz AZNWLFQDPIMXSD-GOEBONIOSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665763891 546397874 /nfs/dbraw/zinc/39/78/74/546397874.db2.gz ODEAXEQRSQBNBS-KBPBESRZSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665763891 546397876 /nfs/dbraw/zinc/39/78/76/546397876.db2.gz ODEAXEQRSQBNBS-KBPBESRZSA-N 1 3 314.474 0.813 20 0 DCADHO CN1CCC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)(N2CCOCC2)CC1 ZINC000668237893 546714466 /nfs/dbraw/zinc/71/44/66/546714466.db2.gz BBWKMBZEJLRVAE-IRXDYDNUSA-N 1 3 323.481 0.940 20 0 DCADHO CN1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)(N2CCOCC2)CC1 ZINC000668237891 546714618 /nfs/dbraw/zinc/71/46/18/546714618.db2.gz BBWKMBZEJLRVAE-DLBZAZTESA-N 1 3 323.481 0.940 20 0 DCADHO OCCO[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCOC1 ZINC000668490860 546769878 /nfs/dbraw/zinc/76/98/78/546769878.db2.gz ZXUVBKQZIOZCBF-KRWDZBQOSA-N 1 3 321.421 0.808 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000668624777 546805756 /nfs/dbraw/zinc/80/57/56/546805756.db2.gz BESQJKHPCIRGNO-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000668794849 546848162 /nfs/dbraw/zinc/84/81/62/546848162.db2.gz SFMFUGRHQHSAAG-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000668794849 546848165 /nfs/dbraw/zinc/84/81/65/546848165.db2.gz SFMFUGRHQHSAAG-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC[N@@H+]1C ZINC000668894124 546874244 /nfs/dbraw/zinc/87/42/44/546874244.db2.gz VQRJCMRHNLWAMQ-RDBSUJKOSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC[N@H+]1C ZINC000668894124 546874247 /nfs/dbraw/zinc/87/42/47/546874247.db2.gz VQRJCMRHNLWAMQ-RDBSUJKOSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCN2CCOC)CC[C@H]1[NH3+] ZINC000669473254 546974511 /nfs/dbraw/zinc/97/45/11/546974511.db2.gz ZLZMXTSTUHVGKZ-QLFBSQMISA-N 1 3 312.458 0.866 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCO1 ZINC000669570920 546992895 /nfs/dbraw/zinc/99/28/95/546992895.db2.gz QPXPSQLYAWNJFW-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671365604 547196272 /nfs/dbraw/zinc/19/62/72/547196272.db2.gz CKZNNPHDMFZQCR-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C1CC1 ZINC000672100913 547319435 /nfs/dbraw/zinc/31/94/35/547319435.db2.gz SPWZCGZFSSQYRX-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310162 547349465 /nfs/dbraw/zinc/34/94/65/547349465.db2.gz IVDQXJLUFNETHJ-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310162 547349470 /nfs/dbraw/zinc/34/94/70/547349470.db2.gz IVDQXJLUFNETHJ-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000673522362 547497951 /nfs/dbraw/zinc/49/79/51/547497951.db2.gz PWFQTKVSEROBOD-CYBMUJFWSA-N 1 3 309.410 0.279 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000673673763 547514232 /nfs/dbraw/zinc/51/42/32/547514232.db2.gz XCYXUGANMAYACP-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000674329743 547581750 /nfs/dbraw/zinc/58/17/50/547581750.db2.gz MLQBTGORCTVMON-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000674329743 547581752 /nfs/dbraw/zinc/58/17/52/547581752.db2.gz MLQBTGORCTVMON-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000677845024 547908669 /nfs/dbraw/zinc/90/86/69/547908669.db2.gz WHFAEKBUNMSHFW-INIZCTEOSA-N 1 3 315.421 0.120 20 0 DCADHO CN(CCCNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001687604499 1174597864 /nfs/dbraw/zinc/59/78/64/1174597864.db2.gz PCSIGMWBNOHHNJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC[C@H]([N@H+](C)CCF)C1 ZINC001027686059 660619915 /nfs/dbraw/zinc/61/99/15/660619915.db2.gz SCCYUXHXIBNACZ-CABCVRRESA-N 1 3 315.433 0.847 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC[C@H]([N@@H+](C)CCF)C1 ZINC001027686059 660619916 /nfs/dbraw/zinc/61/99/16/660619916.db2.gz SCCYUXHXIBNACZ-CABCVRRESA-N 1 3 315.433 0.847 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccn(C)n2)CN1C(=O)CN1CCCC1 ZINC000980799756 661015669 /nfs/dbraw/zinc/01/56/69/661015669.db2.gz LENLPNZZSQALBP-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)CCN(C)CC1 ZINC000893625029 661048395 /nfs/dbraw/zinc/04/83/95/661048395.db2.gz DPWJMPNEXIYIHW-GDBMZVCRSA-N 1 3 323.485 0.358 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)CCN(C)CC1 ZINC000893625029 661048396 /nfs/dbraw/zinc/04/83/96/661048396.db2.gz DPWJMPNEXIYIHW-GDBMZVCRSA-N 1 3 323.485 0.358 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982011660 661271889 /nfs/dbraw/zinc/27/18/89/661271889.db2.gz HUWNEUIZLBWUJO-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982011660 661271891 /nfs/dbraw/zinc/27/18/91/661271891.db2.gz HUWNEUIZLBWUJO-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982011662 661272072 /nfs/dbraw/zinc/27/20/72/661272072.db2.gz HUWNEUIZLBWUJO-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982011662 661272073 /nfs/dbraw/zinc/27/20/73/661272073.db2.gz HUWNEUIZLBWUJO-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084480 657486260 /nfs/dbraw/zinc/48/62/60/657486260.db2.gz PWMHEACJOKRJDZ-MELADBBJSA-N 1 3 306.410 0.980 20 0 DCADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084480 657486263 /nfs/dbraw/zinc/48/62/63/657486263.db2.gz PWMHEACJOKRJDZ-MELADBBJSA-N 1 3 306.410 0.980 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001023128524 657539677 /nfs/dbraw/zinc/53/96/77/657539677.db2.gz ILCKFIJRHACMJD-BARDWOONSA-N 1 3 322.453 0.328 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001023131083 657541377 /nfs/dbraw/zinc/54/13/77/657541377.db2.gz ULQVHPDOJJQDNB-XGUBFFRZSA-N 1 3 322.453 0.376 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000970489307 657568754 /nfs/dbraw/zinc/56/87/54/657568754.db2.gz ALFLWJFCKJFKMQ-OAHLLOKOSA-N 1 3 315.421 0.571 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891842827 657814622 /nfs/dbraw/zinc/81/46/22/657814622.db2.gz WZGONISUZOEIPK-INIZCTEOSA-N 1 3 320.437 0.578 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000970713493 657818019 /nfs/dbraw/zinc/81/80/19/657818019.db2.gz YZICLSDKZGTWRW-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000970713493 657818028 /nfs/dbraw/zinc/81/80/28/657818028.db2.gz YZICLSDKZGTWRW-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC000969560435 657977953 /nfs/dbraw/zinc/97/79/53/657977953.db2.gz QRPLGMFMZDUFGX-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C1CN(CCO)C1 ZINC000970930267 658089722 /nfs/dbraw/zinc/08/97/22/658089722.db2.gz XMFJCITUAIVLHO-CYBMUJFWSA-N 1 3 305.422 0.791 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC3([NH3+])CCC3)CC2)CC1 ZINC000892055525 658146836 /nfs/dbraw/zinc/14/68/36/658146836.db2.gz ZWOOCJXKLKLVTD-UHFFFAOYSA-N 1 3 309.458 0.289 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001020586737 658164504 /nfs/dbraw/zinc/16/45/04/658164504.db2.gz XPHSOWFKPUVMSP-AJNGGQMLSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC001020589932 658168360 /nfs/dbraw/zinc/16/83/60/658168360.db2.gz HZISPGCDYOSNJN-MEWXFMAXSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001020589932 658168363 /nfs/dbraw/zinc/16/83/63/658168363.db2.gz HZISPGCDYOSNJN-MEWXFMAXSA-N 1 3 317.437 0.720 20 0 DCADHO CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001020591217 658171344 /nfs/dbraw/zinc/17/13/44/658171344.db2.gz HQYFMJVOPSUNIU-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1)[NH+](C)C ZINC000969844899 658202553 /nfs/dbraw/zinc/20/25/53/658202553.db2.gz TVOMZMCBLIHTGH-GDBMZVCRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972674300 658222693 /nfs/dbraw/zinc/22/26/93/658222693.db2.gz NUFGLIFDKMDDFR-DOTOQJQBSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972674300 658222698 /nfs/dbraw/zinc/22/26/98/658222698.db2.gz NUFGLIFDKMDDFR-DOTOQJQBSA-N 1 3 309.454 0.897 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000969950730 658286667 /nfs/dbraw/zinc/28/66/67/658286667.db2.gz JDAIBHGLBBHVRV-CZUORRHYSA-N 1 3 319.453 0.903 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000969950730 658286673 /nfs/dbraw/zinc/28/66/73/658286673.db2.gz JDAIBHGLBBHVRV-CZUORRHYSA-N 1 3 319.453 0.903 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC000969956061 658295691 /nfs/dbraw/zinc/29/56/91/658295691.db2.gz VAYAORNBKUVOSM-XJKSGUPXSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000969956061 658295695 /nfs/dbraw/zinc/29/56/95/658295695.db2.gz VAYAORNBKUVOSM-XJKSGUPXSA-N 1 3 317.437 0.817 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000926379362 658334846 /nfs/dbraw/zinc/33/48/46/658334846.db2.gz HDJPLKQQJBUNPQ-RBSFLKMASA-N 1 3 324.469 0.371 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517853 665584873 /nfs/dbraw/zinc/58/48/73/665584873.db2.gz JTZGEHXXKNQHCQ-CAOSSQGBSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517853 665584874 /nfs/dbraw/zinc/58/48/74/665584874.db2.gz JTZGEHXXKNQHCQ-CAOSSQGBSA-N 1 3 309.454 0.632 20 0 DCADHO Cn1ccc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001024263226 658547132 /nfs/dbraw/zinc/54/71/32/658547132.db2.gz BGBQCDFBVGYLCE-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024263226 658547136 /nfs/dbraw/zinc/54/71/36/658547136.db2.gz BGBQCDFBVGYLCE-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNCc3cnns3)C2)C1 ZINC001024265059 658549853 /nfs/dbraw/zinc/54/98/53/658549853.db2.gz ZDVRISVAACMIHX-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CNCc3cnns3)C2)C1 ZINC001024265059 658549860 /nfs/dbraw/zinc/54/98/60/658549860.db2.gz ZDVRISVAACMIHX-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000892458998 658570262 /nfs/dbraw/zinc/57/02/62/658570262.db2.gz PIWUKINNYGNQRP-VQCLRJIVSA-N 1 3 310.442 0.499 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC000972330037 658573773 /nfs/dbraw/zinc/57/37/73/658573773.db2.gz CYUJEZYMLMWCGE-JKSUJKDBSA-N 1 3 319.453 0.900 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC000972330037 658573780 /nfs/dbraw/zinc/57/37/80/658573780.db2.gz CYUJEZYMLMWCGE-JKSUJKDBSA-N 1 3 319.453 0.900 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000972336530 658582279 /nfs/dbraw/zinc/58/22/79/658582279.db2.gz YAWFBGSRUSIDFQ-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000972336530 658582286 /nfs/dbraw/zinc/58/22/86/658582286.db2.gz YAWFBGSRUSIDFQ-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC000999189861 665595960 /nfs/dbraw/zinc/59/59/60/665595960.db2.gz NWQSLQHVDPHQKX-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC000999189861 665595961 /nfs/dbraw/zinc/59/59/61/665595961.db2.gz NWQSLQHVDPHQKX-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891440598 658771320 /nfs/dbraw/zinc/77/13/20/658771320.db2.gz ZJGPRROTINJPBX-XJKSGUPXSA-N 1 3 310.442 0.348 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891513357 658898025 /nfs/dbraw/zinc/89/80/25/658898025.db2.gz AUMBKEBISXACOB-IXYNUQLISA-N 1 3 308.426 0.433 20 0 DCADHO CCC1([NH3+])CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000891514382 658902912 /nfs/dbraw/zinc/90/29/12/658902912.db2.gz QCLMCJYPAQUQAC-KBPBESRZSA-N 1 3 310.442 0.763 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC000999368356 665637850 /nfs/dbraw/zinc/63/78/50/665637850.db2.gz HKRZTZRVKNMXRX-CABCVRRESA-N 1 3 320.441 0.199 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027215904 659086926 /nfs/dbraw/zinc/08/69/26/659086926.db2.gz OIIOIVOOSWWEGT-KGLIPLIRSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027215904 659086930 /nfs/dbraw/zinc/08/69/30/659086930.db2.gz OIIOIVOOSWWEGT-KGLIPLIRSA-N 1 3 305.426 0.310 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)CN1CCN(C)CC1 ZINC000893238980 659134478 /nfs/dbraw/zinc/13/44/78/659134478.db2.gz WYEKAFKGZKCMSE-OWCLPIDISA-N 1 3 323.485 0.215 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)CN1CCN(C)CC1 ZINC000893238980 659134482 /nfs/dbraw/zinc/13/44/82/659134482.db2.gz WYEKAFKGZKCMSE-OWCLPIDISA-N 1 3 323.485 0.215 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000974148942 659229606 /nfs/dbraw/zinc/22/96/06/659229606.db2.gz BHKPHCPASHROLU-LJISPDSOSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000974148942 659229608 /nfs/dbraw/zinc/22/96/08/659229608.db2.gz BHKPHCPASHROLU-LJISPDSOSA-N 1 3 322.453 0.043 20 0 DCADHO O=C(NCC1C[NH+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031857495 665661716 /nfs/dbraw/zinc/66/17/16/665661716.db2.gz WMZKNWYNNPUZPF-GULBITTBSA-N 1 3 305.422 0.308 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000921686250 665673889 /nfs/dbraw/zinc/67/38/89/665673889.db2.gz PSTWNYTUCGGPQE-OAHLLOKOSA-N 1 3 321.469 0.777 20 0 DCADHO [NH3+]CC1(NC(=O)NC[C@@H]2Cc3ccccc3CN2)CCOCC1 ZINC000892790615 659455833 /nfs/dbraw/zinc/45/58/33/659455833.db2.gz GJFUFMAHKOSIOZ-HNNXBMFYSA-N 1 3 318.421 0.508 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026733960 659490526 /nfs/dbraw/zinc/49/05/26/659490526.db2.gz KJMJVYUTPIFRLC-GDBMZVCRSA-N 1 3 317.437 0.817 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC(=O)NCCN1CCCCC1 ZINC000909323629 659574414 /nfs/dbraw/zinc/57/44/14/659574414.db2.gz SUAAXGIRZJXFRT-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CCN1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974598778 659589794 /nfs/dbraw/zinc/58/97/94/659589794.db2.gz VNLFKBCWWVRDQO-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001026891540 659626382 /nfs/dbraw/zinc/62/63/82/659626382.db2.gz XOWBGCWFOIQKOO-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1)C1CC1 ZINC001026887925 659627707 /nfs/dbraw/zinc/62/77/07/659627707.db2.gz YGTGGCLOGAUXAU-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001027091283 659798572 /nfs/dbraw/zinc/79/85/72/659798572.db2.gz IZKMQBMBFAHCLM-LBPRGKRZSA-N 1 3 302.382 0.324 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999869920 665704608 /nfs/dbraw/zinc/70/46/08/665704608.db2.gz JJKDCUZWOCLQCZ-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000999869920 665704611 /nfs/dbraw/zinc/70/46/11/665704611.db2.gz JJKDCUZWOCLQCZ-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295897 661343234 /nfs/dbraw/zinc/34/32/34/661343234.db2.gz FPSQOBVMHONXGS-SIUPPRGNSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295897 661343237 /nfs/dbraw/zinc/34/32/37/661343237.db2.gz FPSQOBVMHONXGS-SIUPPRGNSA-N 1 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ZINC000237161153 662045309 /nfs/dbraw/zinc/04/53/09/662045309.db2.gz VDAVFOJARKELHR-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@H]2C1 ZINC000895851727 662222954 /nfs/dbraw/zinc/22/29/54/662222954.db2.gz UJYZRDUGTUXXCF-LZWOXQAQSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@H]2C1 ZINC000895851727 662222955 /nfs/dbraw/zinc/22/29/55/662222955.db2.gz UJYZRDUGTUXXCF-LZWOXQAQSA-N 1 3 322.453 0.443 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984800105 662316142 /nfs/dbraw/zinc/31/61/42/662316142.db2.gz NIKGODJALIYUQY-KKUMJFAQSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984800105 662316144 /nfs/dbraw/zinc/31/61/44/662316144.db2.gz NIKGODJALIYUQY-KKUMJFAQSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000985482200 662465601 /nfs/dbraw/zinc/46/56/01/662465601.db2.gz UZCNPYUXZHREHO-UONOGXRCSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000985482200 662465602 /nfs/dbraw/zinc/46/56/02/662465602.db2.gz UZCNPYUXZHREHO-UONOGXRCSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985752673 662508600 /nfs/dbraw/zinc/50/86/00/662508600.db2.gz ZENSSVRYMKXKLB-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985752673 662508602 /nfs/dbraw/zinc/50/86/02/662508602.db2.gz ZENSSVRYMKXKLB-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCCNC1=O ZINC001029904993 662554494 /nfs/dbraw/zinc/55/44/94/662554494.db2.gz GISUEERHYAVZDA-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCCNC1=O ZINC001029904993 662554495 /nfs/dbraw/zinc/55/44/95/662554495.db2.gz GISUEERHYAVZDA-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986827253 662622348 /nfs/dbraw/zinc/62/23/48/662622348.db2.gz OOHMYPSABQPPND-DOMZBBRYSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829982 662623065 /nfs/dbraw/zinc/62/30/65/662623065.db2.gz SWSLYGKAFRIZIK-BBRMVZONSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC2CCOCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060147 662639827 /nfs/dbraw/zinc/63/98/27/662639827.db2.gz URKPCXCCXGPWGD-WFASDCNBSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000988095503 662729006 /nfs/dbraw/zinc/72/90/06/662729006.db2.gz DTFXKXQYKIXPDO-DYEKYZERSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000988095503 662729008 /nfs/dbraw/zinc/72/90/08/662729008.db2.gz DTFXKXQYKIXPDO-DYEKYZERSA-N 1 3 319.409 0.010 20 0 DCADHO COC1CCN(CCNC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897438792 662756909 /nfs/dbraw/zinc/75/69/09/662756909.db2.gz IGANRABBXWOXGN-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO COC1CCN(CCNC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897438792 662756910 /nfs/dbraw/zinc/75/69/10/662756910.db2.gz IGANRABBXWOXGN-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cncn2C)CN1C(=O)CN(C)C1CCC1 ZINC000988957326 662873481 /nfs/dbraw/zinc/87/34/81/662873481.db2.gz FLUPPDIVVGNGJK-UONOGXRCSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989389794 662908793 /nfs/dbraw/zinc/90/87/93/662908793.db2.gz LTMFILPYNJYWKW-CJNGLKHVSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[N@H+](C)Cc1ccccc1 ZINC000924627907 663048810 /nfs/dbraw/zinc/04/88/10/663048810.db2.gz FRSDLGYTSGQYHN-HIFRSBDPSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000924627907 663048811 /nfs/dbraw/zinc/04/88/11/663048811.db2.gz FRSDLGYTSGQYHN-HIFRSBDPSA-N 1 3 318.421 0.989 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001000843708 665942717 /nfs/dbraw/zinc/94/27/17/665942717.db2.gz XVGVLICCEXWKJC-UHFFFAOYSA-N 1 3 307.438 0.603 20 0 DCADHO CN(C(=O)c1ccnn1CC[NH+](C)C)[C@H]1CCN(C2CC2)C1 ZINC000900664277 663267781 /nfs/dbraw/zinc/26/77/81/663267781.db2.gz IKTOHYWAXOEEQX-AWEZNQCLSA-N 1 3 305.426 0.753 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900687615 663272213 /nfs/dbraw/zinc/27/22/13/663272213.db2.gz UVPJISMZTDCUPQ-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900687615 663272215 /nfs/dbraw/zinc/27/22/15/663272215.db2.gz UVPJISMZTDCUPQ-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnn1CC[NH+](C)C ZINC000901026763 663304146 /nfs/dbraw/zinc/30/41/46/663304146.db2.gz PWYGWXBIRVBKIM-TZMCWYRMSA-N 1 3 305.426 0.657 20 0 DCADHO CCC[C@H](C(=O)OCC)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493234 663458190 /nfs/dbraw/zinc/45/81/90/663458190.db2.gz PXRVKWKOOQRFMZ-VLXAULBPSA-N 1 3 312.410 0.931 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000903561098 663464213 /nfs/dbraw/zinc/46/42/13/663464213.db2.gz PUZXTFFXZJDNJB-NWANDNLSSA-N 1 3 309.435 0.919 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000903761474 663479933 /nfs/dbraw/zinc/47/99/33/663479933.db2.gz UKQFLAHALGQYRI-FPMFFAJLSA-N 1 3 307.398 0.573 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000903761474 663479934 /nfs/dbraw/zinc/47/99/34/663479934.db2.gz UKQFLAHALGQYRI-FPMFFAJLSA-N 1 3 307.398 0.573 20 0 DCADHO CNC(=O)NC[C@H]1CCCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903777695 663483718 /nfs/dbraw/zinc/48/37/18/663483718.db2.gz CKRQFACSBXJRGT-HUUCEWRRSA-N 1 3 324.469 0.929 20 0 DCADHO CC(C)[C@@H]1CN(C)CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903903556 663494237 /nfs/dbraw/zinc/49/42/37/663494237.db2.gz VOUKESBUPWITNB-HOCLYGCPSA-N 1 3 306.458 0.975 20 0 DCADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNCCCOC[C@H]1CCCO1 ZINC000903922411 663495445 /nfs/dbraw/zinc/49/54/45/663495445.db2.gz WVEFARGYJNXSCT-GDBMZVCRSA-N 1 3 323.441 0.878 20 0 DCADHO CS(=O)(=O)N1CC[C@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000903932196 663496708 /nfs/dbraw/zinc/49/67/08/663496708.db2.gz OCDUZHQJYTYWPD-AWEZNQCLSA-N 1 3 309.435 0.456 20 0 DCADHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(=O)N1CCCC1 ZINC000903953501 663498292 /nfs/dbraw/zinc/49/82/92/663498292.db2.gz GUGFDFUZWJCTGO-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(C(N)=O)cs1)C2 ZINC000903978221 663499188 /nfs/dbraw/zinc/49/91/88/663499188.db2.gz ATYPQDCCBAUZMD-RWSFTLGLSA-N 1 3 323.418 0.559 20 0 DCADHO C[C@@]1(CN2CCC[C@H](C(=O)N3CCOCC3)C2)CCC[NH2+]C1 ZINC000904305597 663507588 /nfs/dbraw/zinc/50/75/88/663507588.db2.gz QEZIKSDFBRYKBL-DOTOQJQBSA-N 1 3 309.454 0.947 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904326194 663508607 /nfs/dbraw/zinc/50/86/07/663508607.db2.gz FUXIVPMWLYHDDA-WBVHZDCISA-N 1 3 308.470 0.615 20 0 DCADHO OCC1(C[C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000905076036 663530446 /nfs/dbraw/zinc/53/04/46/663530446.db2.gz LILLXUFUOFBOCY-PMPSAXMXSA-N 1 3 312.454 0.743 20 0 DCADHO OCC1(C[C@H](O)CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000905076036 663530448 /nfs/dbraw/zinc/53/04/48/663530448.db2.gz LILLXUFUOFBOCY-PMPSAXMXSA-N 1 3 312.454 0.743 20 0 DCADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CC2CC[NH2+]CC2)CCN1C ZINC000905337559 663550249 /nfs/dbraw/zinc/55/02/49/663550249.db2.gz HAGVYEFWPFSYED-OCCSQVGLSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)N1CCCCC1 ZINC000910947081 663961420 /nfs/dbraw/zinc/96/14/20/663961420.db2.gz SFIPLVBDQZHHCQ-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])N1CCCCC1 ZINC000910946805 663961464 /nfs/dbraw/zinc/96/14/64/663961464.db2.gz PNPGLOWYWUINQV-KEYYUXOJSA-N 1 3 322.453 0.317 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911054390 663973066 /nfs/dbraw/zinc/97/30/66/663973066.db2.gz GWVDEEKEBZAMFG-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911029313 663973944 /nfs/dbraw/zinc/97/39/44/663973944.db2.gz MHQYIBDXTSZYKV-UXXRCYHCSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911030698 663974349 /nfs/dbraw/zinc/97/43/49/663974349.db2.gz ZWXUERLYKCXGEV-XJFOESAGSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911161275 663995430 /nfs/dbraw/zinc/99/54/30/663995430.db2.gz KOKCMUBPCQLICO-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911162176 663995863 /nfs/dbraw/zinc/99/58/63/663995863.db2.gz QURFQBZUDPOZNC-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911207320 664004975 /nfs/dbraw/zinc/00/49/75/664004975.db2.gz HQPNUBKQEHRARD-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC000911212427 664005948 /nfs/dbraw/zinc/00/59/48/664005948.db2.gz YRYNUAAEXBLOHI-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[NH2+]1 ZINC000911306009 664024063 /nfs/dbraw/zinc/02/40/63/664024063.db2.gz FMAACDPEIJLRBL-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000911336513 664030976 /nfs/dbraw/zinc/03/09/76/664030976.db2.gz JXPLFYAJCGLPSX-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000911401132 664048366 /nfs/dbraw/zinc/04/83/66/664048366.db2.gz PBHPECVOAMXHMW-KFWWJZLASA-N 1 3 322.453 0.045 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911483753 664063207 /nfs/dbraw/zinc/06/32/07/664063207.db2.gz CSEPQRMXKOMVFM-BARDWOONSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911528512 664068363 /nfs/dbraw/zinc/06/83/63/664068363.db2.gz PFWCBBUZDGOYAP-RYUDHWBXSA-N 1 3 310.442 0.090 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000911529221 664068679 /nfs/dbraw/zinc/06/86/79/664068679.db2.gz AJKQDNIQTIJCGX-DYVFJYSZSA-N 1 3 322.453 0.174 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000911533680 664070463 /nfs/dbraw/zinc/07/04/63/664070463.db2.gz PJWGQFKUEAMESL-QGZVFWFLSA-N 1 3 322.453 0.047 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000913005786 664253136 /nfs/dbraw/zinc/25/31/36/664253136.db2.gz IASOSTBWOGINFX-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000913005786 664253137 /nfs/dbraw/zinc/25/31/37/664253137.db2.gz IASOSTBWOGINFX-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991476379 664358418 /nfs/dbraw/zinc/35/84/18/664358418.db2.gz CMXJRECOMVLPEC-HIFRSBDPSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991476379 664358421 /nfs/dbraw/zinc/35/84/21/664358421.db2.gz CMXJRECOMVLPEC-HIFRSBDPSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C1CC1)N1CCCCC1 ZINC001670556435 1157462214 /nfs/dbraw/zinc/46/22/14/1157462214.db2.gz LVYUFLFRKTWTHF-HOTGVXAUSA-N 1 3 311.470 0.974 20 0 DCADHO CN(C)C(=O)CN1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000992109302 664663021 /nfs/dbraw/zinc/66/30/21/664663021.db2.gz DRVIUUNRCAINGG-CPUCHLNUSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000992109302 664663023 /nfs/dbraw/zinc/66/30/23/664663023.db2.gz DRVIUUNRCAINGG-CPUCHLNUSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000992109302 664663024 /nfs/dbraw/zinc/66/30/24/664663024.db2.gz DRVIUUNRCAINGG-CPUCHLNUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000992371254 664703562 /nfs/dbraw/zinc/70/35/62/664703562.db2.gz MQIOCCXPHVRZFM-RRFJBIMHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000992371254 664703563 /nfs/dbraw/zinc/70/35/63/664703563.db2.gz MQIOCCXPHVRZFM-RRFJBIMHSA-N 1 3 324.469 0.384 20 0 DCADHO C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001015393385 664777636 /nfs/dbraw/zinc/77/76/36/664777636.db2.gz TVLLERRJPILRJA-MRXNPFEDSA-N 1 3 319.449 0.977 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000731121250 664838252 /nfs/dbraw/zinc/83/82/52/664838252.db2.gz STEQCFROUYHESQ-ILXRZTDVSA-N 1 3 310.442 0.491 20 0 DCADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000731121250 664838256 /nfs/dbraw/zinc/83/82/56/664838256.db2.gz STEQCFROUYHESQ-ILXRZTDVSA-N 1 3 310.442 0.491 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCN1CC[C@@H](O)C1 ZINC000863236031 667120844 /nfs/dbraw/zinc/12/08/44/667120844.db2.gz DWWJIHVBBAXVBT-CHWSQXEVSA-N 1 3 300.472 0.001 20 0 DCADHO C[C@@H]1[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CCCN1CCO ZINC000993475091 664971326 /nfs/dbraw/zinc/97/13/26/664971326.db2.gz DXIWSOGHBFESBN-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=S)NCC[NH+](C)C)CC1 ZINC000916002231 665055532 /nfs/dbraw/zinc/05/55/32/665055532.db2.gz CGGKKUQXOSBEMS-ZDUSSCGKSA-N 1 3 301.504 0.038 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031665700 665275292 /nfs/dbraw/zinc/27/52/92/665275292.db2.gz DYZCHVNUISDUMB-GDBMZVCRSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1)C1CC1 ZINC000997830736 665352213 /nfs/dbraw/zinc/35/22/13/665352213.db2.gz NOIAWNJVCGKVME-HUUCEWRRSA-N 1 3 322.453 0.043 20 0 DCADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCOC2)CC1 ZINC001032602640 665405214 /nfs/dbraw/zinc/40/52/14/665405214.db2.gz APKVHIJYKZSPKD-BPUTZDHNSA-N 1 3 307.438 0.650 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001001980131 666119589 /nfs/dbraw/zinc/11/95/89/666119589.db2.gz VALLJMDZKVANRW-GJZGRUSLSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001001980131 666119591 /nfs/dbraw/zinc/11/95/91/666119591.db2.gz VALLJMDZKVANRW-GJZGRUSLSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423064182 666288163 /nfs/dbraw/zinc/28/81/63/666288163.db2.gz QUNGBDBMXKENII-QGZVFWFLSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NC1CCN(CCn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC001003982959 666422124 /nfs/dbraw/zinc/42/21/24/666422124.db2.gz GGPXHWBIEGVPRN-UHFFFAOYSA-N 1 3 317.437 0.560 20 0 DCADHO Cn1nccc1CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004150790 666461075 /nfs/dbraw/zinc/46/10/75/666461075.db2.gz TWTKLYAGPRARGZ-CQSZACIVSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004150790 666461076 /nfs/dbraw/zinc/46/10/76/666461076.db2.gz TWTKLYAGPRARGZ-CQSZACIVSA-N 1 3 319.453 0.495 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033398971 666700604 /nfs/dbraw/zinc/70/06/04/666700604.db2.gz ZMGJBGBZGVHBKN-MRXNPFEDSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(CCO)C1 ZINC001033423366 666712290 /nfs/dbraw/zinc/71/22/90/666712290.db2.gz PWSFNHUDWQNDMW-QGZVFWFLSA-N 1 3 319.449 0.929 20 0 DCADHO CC[NH2+][C@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996073940 666734987 /nfs/dbraw/zinc/73/49/87/666734987.db2.gz UDXQWCXJXBDRPC-CWVKQELPSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996379411 666778835 /nfs/dbraw/zinc/77/88/35/666778835.db2.gz LYQZNLADVGEXFN-KBPBESRZSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996379411 666778836 /nfs/dbraw/zinc/77/88/36/666778836.db2.gz LYQZNLADVGEXFN-KBPBESRZSA-N 1 3 324.469 0.561 20 0 DCADHO Cn1cc(CN[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996610050 666836668 /nfs/dbraw/zinc/83/66/68/666836668.db2.gz JEMKODFYZODPTG-GJZGRUSLSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cc(CN[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996610050 666836672 /nfs/dbraw/zinc/83/66/72/666836672.db2.gz JEMKODFYZODPTG-GJZGRUSLSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1nccc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996618786 666838722 /nfs/dbraw/zinc/83/87/22/666838722.db2.gz XTAUTYKOFSBMLQ-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1nccc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996618786 666838724 /nfs/dbraw/zinc/83/87/24/666838724.db2.gz XTAUTYKOFSBMLQ-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1)C1CC1 ZINC000996677523 666857757 /nfs/dbraw/zinc/85/77/57/666857757.db2.gz KQSQQBGREMTBMY-OAHLLOKOSA-N 1 3 320.441 0.236 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000996696288 666862846 /nfs/dbraw/zinc/86/28/46/666862846.db2.gz NPRSOODKNNOXPJ-CABCVRRESA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1)N(C)C ZINC000996976034 667054483 /nfs/dbraw/zinc/05/44/83/667054483.db2.gz BZWGLPOREDHSFP-OAHLLOKOSA-N 1 3 322.457 0.482 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000996996895 667067657 /nfs/dbraw/zinc/06/76/57/667067657.db2.gz BIAJSXCPMBIVOX-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034643477 667089779 /nfs/dbraw/zinc/08/97/79/667089779.db2.gz WCLJCUXRMUHYNZ-ZQDZILKHSA-N 1 3 324.469 0.750 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCN1CC[C@@H](O)C1 ZINC000863236031 667120843 /nfs/dbraw/zinc/12/08/43/667120843.db2.gz DWWJIHVBBAXVBT-CHWSQXEVSA-N 1 3 300.472 0.001 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCc2cccnc2)CC1 ZINC000863550023 667156548 /nfs/dbraw/zinc/15/65/48/667156548.db2.gz XDUYYMHPCBTIPH-JKSUJKDBSA-N 1 3 316.405 0.881 20 0 DCADHO CN(CC[NH2+]C[C@H](O)CN1CCCC1)C(=O)OC(C)(C)C ZINC000863553194 667156829 /nfs/dbraw/zinc/15/68/29/667156829.db2.gz WOQQNDUBPVEBDL-ZDUSSCGKSA-N 1 3 301.431 0.900 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034883705 667169509 /nfs/dbraw/zinc/16/95/09/667169509.db2.gz WFLJSDYKBAXTTG-HZPDHXFCSA-N 1 3 319.453 0.903 20 0 DCADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997307821 667244442 /nfs/dbraw/zinc/24/44/42/667244442.db2.gz WRDQBPLYLYANSQ-UHFFFAOYSA-N 1 3 320.441 0.474 20 0 DCADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001035125659 667251970 /nfs/dbraw/zinc/25/19/70/667251970.db2.gz LQTZZYZHMTVVKI-GDBMZVCRSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001035125659 667251973 /nfs/dbraw/zinc/25/19/73/667251973.db2.gz LQTZZYZHMTVVKI-GDBMZVCRSA-N 1 3 319.453 0.761 20 0 DCADHO C[C@@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000864827701 667286997 /nfs/dbraw/zinc/28/69/97/667286997.db2.gz KTZBXLSULUBBFR-RYUDHWBXSA-N 1 3 316.446 0.508 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000865059837 667301204 /nfs/dbraw/zinc/30/12/04/667301204.db2.gz OLAQQBRATAICBC-CABCVRRESA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CN(CC2CC2)CCO1 ZINC001035583879 667384626 /nfs/dbraw/zinc/38/46/26/667384626.db2.gz RADQCCYWXWRTIW-CQSZACIVSA-N 1 3 318.421 0.988 20 0 DCADHO COC(=O)CCCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711426 667389322 /nfs/dbraw/zinc/38/93/22/667389322.db2.gz KORWWMNCPSTWOS-XQQFMLRXSA-N 1 3 311.382 0.197 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC2(CN(CCO)C2)CC1 ZINC001035705896 667402493 /nfs/dbraw/zinc/40/24/93/667402493.db2.gz ISZWWKINNUTFEO-HNNXBMFYSA-N 1 3 307.438 0.245 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035707510 667402549 /nfs/dbraw/zinc/40/25/49/667402549.db2.gz ZKWNTVBFNXQQPB-ZBFHGGJFSA-N 1 3 321.465 0.633 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035733669 667405795 /nfs/dbraw/zinc/40/57/95/667405795.db2.gz ICBXKFZSMJPLLK-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036031823 667421753 /nfs/dbraw/zinc/42/17/53/667421753.db2.gz ZPCRDSFQENSHPV-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1[NH2+]Cc1nccn1C ZINC001036294728 667434694 /nfs/dbraw/zinc/43/46/94/667434694.db2.gz SUZSYFFQERJOCN-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CCOCCN1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1CC ZINC000923323345 667508038 /nfs/dbraw/zinc/50/80/38/667508038.db2.gz SFCXXUZARFOTLN-CVEARBPZSA-N 1 3 311.470 0.798 20 0 DCADHO NCC(C[NH3+])NCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000923351826 667514156 /nfs/dbraw/zinc/51/41/56/667514156.db2.gz NQBPYHBNBDGICQ-UHFFFAOYSA-N 1 3 303.385 0.876 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000923489909 667546293 /nfs/dbraw/zinc/54/62/93/667546293.db2.gz FOYNBGQTZICIQW-OAHLLOKOSA-N 1 3 324.469 0.566 20 0 DCADHO C[C@H]1CN(CC(=O)NCc2ccc3c(c2)OCO3)CC[C@@H]1C[NH3+] ZINC000923510363 667551442 /nfs/dbraw/zinc/55/14/42/667551442.db2.gz SOYFTHDGIZHHOK-GXTWGEPZSA-N 1 3 319.405 0.948 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)N1CCC(C)CC1 ZINC000884502796 667557764 /nfs/dbraw/zinc/55/77/64/667557764.db2.gz TWNNNXYJRDKQRI-MGPQQGTHSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868407427 667567813 /nfs/dbraw/zinc/56/78/13/667567813.db2.gz VFNFZWWGIFOUNB-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000884578057 667569905 /nfs/dbraw/zinc/56/99/05/667569905.db2.gz RYURKESABNJLJA-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)C1CNC1 ZINC000923581435 667571303 /nfs/dbraw/zinc/57/13/03/667571303.db2.gz HHGMQOKVKVMCOY-UHFFFAOYSA-N 1 3 309.435 0.674 20 0 DCADHO C[NH+](C)CCOc1cccc(CNS(=O)(=O)C2CNC2)c1 ZINC000923591361 667574299 /nfs/dbraw/zinc/57/42/99/667574299.db2.gz XNAHIQMXPXTDHI-UHFFFAOYSA-N 1 3 313.423 0.018 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)C2CNC2)C1 ZINC000923593098 667575154 /nfs/dbraw/zinc/57/51/54/667575154.db2.gz HOQFRVPGNVQBKC-VXGBXAGGSA-N 1 3 303.472 0.634 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884617621 667576557 /nfs/dbraw/zinc/57/65/57/667576557.db2.gz OYXXQEAAFPHGJV-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCC1(C)C ZINC000884676044 667587321 /nfs/dbraw/zinc/58/73/21/667587321.db2.gz ADXXIQMELKZUOS-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)N1CCC(N2CCN(C)CC2)CC1)[NH+](C)C ZINC000868674818 667589439 /nfs/dbraw/zinc/58/94/39/667589439.db2.gz AMUHBLZTRTUSFE-AWEZNQCLSA-N 1 3 311.474 0.358 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCCCCC[NH3+] ZINC000872154879 667870502 /nfs/dbraw/zinc/87/05/02/667870502.db2.gz DCPVQUNURNPVAZ-UONOGXRCSA-N 1 3 312.458 0.550 20 0 DCADHO CN(CCCCCC[NH3+])CC(=O)NC(=O)NCC(F)(F)F ZINC000872155153 667870832 /nfs/dbraw/zinc/87/08/32/667870832.db2.gz MXPXOYIUNWGMFT-UHFFFAOYSA-N 1 3 312.336 0.825 20 0 DCADHO C[C@H](NCc1cccc(-n2cc(CN)nn2)c1)[C@H]1CCC[NH2+]1 ZINC000873243205 668068066 /nfs/dbraw/zinc/06/80/66/668068066.db2.gz JKKMWHSMEHSVMW-BLLLJJGKSA-N 1 3 300.410 0.956 20 0 DCADHO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246965 668068763 /nfs/dbraw/zinc/06/87/63/668068763.db2.gz FOAJQSHSLUCMIB-MLGOLLRUSA-N 1 3 300.410 0.766 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873328861 668073566 /nfs/dbraw/zinc/07/35/66/668073566.db2.gz QYIQGJQTIVQWLN-SWLSCSKDSA-N 1 3 306.414 0.851 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCN1C ZINC000925327067 668297028 /nfs/dbraw/zinc/29/70/28/668297028.db2.gz FCLWPHLKIOUTLR-PMPSAXMXSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCN1C ZINC000925327067 668297032 /nfs/dbraw/zinc/29/70/32/668297032.db2.gz FCLWPHLKIOUTLR-PMPSAXMXSA-N 1 3 323.485 0.500 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925538260 668328790 /nfs/dbraw/zinc/32/87/90/668328790.db2.gz SNVJDZBOHVHVCY-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926174187 668382967 /nfs/dbraw/zinc/38/29/67/668382967.db2.gz QJOSDTBFGNVCEW-JHNDHUHGSA-N 1 3 311.470 0.924 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926174187 668382971 /nfs/dbraw/zinc/38/29/71/668382971.db2.gz QJOSDTBFGNVCEW-JHNDHUHGSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926361924 668399031 /nfs/dbraw/zinc/39/90/31/668399031.db2.gz LOMVKPSSMQNXMN-QGZVFWFLSA-N 1 3 324.469 0.530 20 0 DCADHO CCO[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C[NH+](C)C ZINC000926835658 668433793 /nfs/dbraw/zinc/43/37/93/668433793.db2.gz CTZDHCHJDXKGME-LSDHHAIUSA-N 1 3 310.442 0.609 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927640490 668489780 /nfs/dbraw/zinc/48/97/80/668489780.db2.gz JZGOQXHPQGKIPN-MRXNPFEDSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927640490 668489782 /nfs/dbraw/zinc/48/97/82/668489782.db2.gz JZGOQXHPQGKIPN-MRXNPFEDSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)C[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000876764729 668505600 /nfs/dbraw/zinc/50/56/00/668505600.db2.gz QRERHQSKYOLNOD-AWEZNQCLSA-N 1 3 312.458 0.027 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876781113 668509562 /nfs/dbraw/zinc/50/95/62/668509562.db2.gz CUAPAORTZBRKBC-KFWWJZLASA-N 1 3 314.449 0.324 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876781115 668509797 /nfs/dbraw/zinc/50/97/97/668509797.db2.gz CUAPAORTZBRKBC-QLFBSQMISA-N 1 3 314.449 0.324 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876782850 668510216 /nfs/dbraw/zinc/51/02/16/668510216.db2.gz WCGGZQOPWHLGHM-NGHLMZTLSA-N 1 3 322.497 0.932 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000927852578 668516226 /nfs/dbraw/zinc/51/62/26/668516226.db2.gz BKUYGARWXYZGBG-CQSZACIVSA-N 1 3 318.421 0.882 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000876923772 668537040 /nfs/dbraw/zinc/53/70/40/668537040.db2.gz ZHIHYOWZXFBIOT-CQSZACIVSA-N 1 3 305.426 0.729 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337690 668604037 /nfs/dbraw/zinc/60/40/37/668604037.db2.gz SDZNQEJRDMBCKA-KBPBESRZSA-N 1 3 311.426 0.030 20 0 DCADHO CC(C)OC[C@@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000878326396 668713215 /nfs/dbraw/zinc/71/32/15/668713215.db2.gz ZBRQOBWYWJMRCL-IKGGRYGDSA-N 1 3 313.486 0.730 20 0 DCADHO [NH3+][C@H](C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1)C1CCCC1 ZINC000923671218 668722530 /nfs/dbraw/zinc/72/25/30/668722530.db2.gz IYCZTBKKZBRLLA-IUODEOHRSA-N 1 3 315.483 0.908 20 0 DCADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929724074 668724640 /nfs/dbraw/zinc/72/46/40/668724640.db2.gz XOMMUWQRPKICSK-ARFHVFGLSA-N 1 3 300.443 0.695 20 0 DCADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929724074 668724644 /nfs/dbraw/zinc/72/46/44/668724644.db2.gz XOMMUWQRPKICSK-ARFHVFGLSA-N 1 3 300.443 0.695 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000879993877 669142960 /nfs/dbraw/zinc/14/29/60/669142960.db2.gz WFVVYSGNOWLFIT-CZUORRHYSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000879993877 669142961 /nfs/dbraw/zinc/14/29/61/669142961.db2.gz WFVVYSGNOWLFIT-CZUORRHYSA-N 1 3 315.433 0.772 20 0 DCADHO CCOC(=O)C1([C@@H](C)NC[C@H](O)C[N@H+](C)CC)CCOCC1 ZINC000933884943 669548232 /nfs/dbraw/zinc/54/82/32/669548232.db2.gz VWYIRQIIGGZFKD-KGLIPLIRSA-N 1 3 316.442 0.637 20 0 DCADHO CCOC(=O)C1([C@@H](C)NC[C@H](O)C[N@@H+](C)CC)CCOCC1 ZINC000933884943 669548234 /nfs/dbraw/zinc/54/82/34/669548234.db2.gz VWYIRQIIGGZFKD-KGLIPLIRSA-N 1 3 316.442 0.637 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793722193 669738471 /nfs/dbraw/zinc/73/84/71/669738471.db2.gz KLJQFZHOFCCIOM-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793722193 669738472 /nfs/dbraw/zinc/73/84/72/669738472.db2.gz KLJQFZHOFCCIOM-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC000950079958 669928932 /nfs/dbraw/zinc/92/89/32/669928932.db2.gz CFTWUADUWABJLH-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000950079958 669928933 /nfs/dbraw/zinc/92/89/33/669928933.db2.gz CFTWUADUWABJLH-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc[nH]1 ZINC000806526756 670319715 /nfs/dbraw/zinc/31/97/15/670319715.db2.gz GXSXSSCCDRUOBE-CYBMUJFWSA-N 1 3 323.441 0.144 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000847332389 670536845 /nfs/dbraw/zinc/53/68/45/670536845.db2.gz QOAQIBXAEZUHEH-ZQDZILKHSA-N 1 3 310.442 0.320 20 0 DCADHO COC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855345658 670701161 /nfs/dbraw/zinc/70/11/61/670701161.db2.gz FBDUQYIMRXAJLB-RYUDHWBXSA-N 1 3 302.419 0.119 20 0 DCADHO COC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855345658 670701163 /nfs/dbraw/zinc/70/11/63/670701163.db2.gz FBDUQYIMRXAJLB-RYUDHWBXSA-N 1 3 302.419 0.119 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)nc1 ZINC000849012080 670749399 /nfs/dbraw/zinc/74/93/99/670749399.db2.gz HQQALCRHIIVXEI-GFCCVEGCSA-N 1 3 304.398 0.279 20 0 DCADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000849027665 670751597 /nfs/dbraw/zinc/75/15/97/670751597.db2.gz BVYZOCIFNWUNRE-HNNXBMFYSA-N 1 3 311.474 0.697 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000849049710 670756095 /nfs/dbraw/zinc/75/60/95/670756095.db2.gz KLNHNBZJNAFKBB-STQMWFEESA-N 1 3 309.414 0.568 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000849605025 670826073 /nfs/dbraw/zinc/82/60/73/670826073.db2.gz ZQVCSIIEPAGHGM-CABCVRRESA-N 1 3 321.469 0.912 20 0 DCADHO [NH3+]C[C@H]1CCC[C@H]1NCCNS(=O)(=O)Cc1ccccc1 ZINC000817891792 670951120 /nfs/dbraw/zinc/95/11/20/670951120.db2.gz HCYITPNHMUVPKC-HUUCEWRRSA-N 1 3 311.451 0.823 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCCCC1 ZINC000851686946 671014156 /nfs/dbraw/zinc/01/41/56/671014156.db2.gz KOTIZTXUBXOBJA-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc(F)cn2)CC1(C)C ZINC000819288239 671108778 /nfs/dbraw/zinc/10/87/78/671108778.db2.gz WGMYDRMLWRKUIE-HNNXBMFYSA-N 1 3 310.417 0.870 20 0 DCADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852350662 671121287 /nfs/dbraw/zinc/12/12/87/671121287.db2.gz VSCXPIBTXLAOKN-JJXSEGSLSA-N 1 3 300.443 0.599 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852861460 671177707 /nfs/dbraw/zinc/17/77/07/671177707.db2.gz VYAMXLNJCLUXIT-FRRDWIJNSA-N 1 3 312.414 0.096 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN(CCC(=O)OC)C1CCOCC1 ZINC000821380959 671276180 /nfs/dbraw/zinc/27/61/80/671276180.db2.gz UEMBHBSFLIDOPC-CQSZACIVSA-N 1 3 302.415 0.343 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN(CCC(=O)OC)C1CCOCC1 ZINC000821380959 671276183 /nfs/dbraw/zinc/27/61/83/671276183.db2.gz UEMBHBSFLIDOPC-CQSZACIVSA-N 1 3 302.415 0.343 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000823562608 671399464 /nfs/dbraw/zinc/39/94/64/671399464.db2.gz WHBVCPZQWFVRTP-KGLIPLIRSA-N 1 3 310.442 0.438 20 0 DCADHO CCn1cc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1 ZINC000824818372 671441027 /nfs/dbraw/zinc/44/10/27/671441027.db2.gz FBPDCXIFTDXJJZ-ZDUSSCGKSA-N 1 3 310.446 0.229 20 0 DCADHO CCn1cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1 ZINC000824818372 671441028 /nfs/dbraw/zinc/44/10/28/671441028.db2.gz FBPDCXIFTDXJJZ-ZDUSSCGKSA-N 1 3 310.446 0.229 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000828247777 671548254 /nfs/dbraw/zinc/54/82/54/671548254.db2.gz ZZIZUJFFIFGLJI-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCN1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000831970306 671694085 /nfs/dbraw/zinc/69/40/85/671694085.db2.gz CAJIKJQDCKBWKX-CHWSQXEVSA-N 1 3 306.414 0.417 20 0 DCADHO C[C@]1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC[NH2+]C1 ZINC000841791454 671956477 /nfs/dbraw/zinc/95/64/77/671956477.db2.gz XITRUKOVXSCYCV-DZKIICNBSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N1CCCCC1 ZINC000842014277 671974023 /nfs/dbraw/zinc/97/40/23/671974023.db2.gz BOCJJEDGQRWJNE-CZUORRHYSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CCCCC1 ZINC000842015180 671974059 /nfs/dbraw/zinc/97/40/59/671974059.db2.gz HLOWMWZNJKWDKI-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC[C@H]1[NH3+] ZINC000842016203 671974715 /nfs/dbraw/zinc/97/47/15/671974715.db2.gz SBJUWEPWJBSMMK-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842015957 671974906 /nfs/dbraw/zinc/97/49/06/671974906.db2.gz PQQCHJCHAMIOJP-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CCCCC1 ZINC000842016888 671975046 /nfs/dbraw/zinc/97/50/46/671975046.db2.gz YYZHFANEBIDBDB-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842174407 671989261 /nfs/dbraw/zinc/98/92/61/671989261.db2.gz FEDHHQSLIXICDU-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842193886 671992527 /nfs/dbraw/zinc/99/25/27/671992527.db2.gz GWCYDPFSXQHXPD-NRXISQOPSA-N 1 3 324.469 0.705 20 0 DCADHO CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000844954056 672211910 /nfs/dbraw/zinc/21/19/10/672211910.db2.gz OBTGXOGOTZTYRR-HZPDHXFCSA-N 1 3 324.469 0.977 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC001020274191 693755287 /nfs/dbraw/zinc/75/52/87/693755287.db2.gz CDBMFLYMSNFPDR-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC001020274191 693755289 /nfs/dbraw/zinc/75/52/89/693755289.db2.gz CDBMFLYMSNFPDR-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000953904591 685895180 /nfs/dbraw/zinc/89/51/80/685895180.db2.gz GCXZGFDVJHSXPT-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000953904591 685895181 /nfs/dbraw/zinc/89/51/81/685895181.db2.gz GCXZGFDVJHSXPT-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000954324525 685995022 /nfs/dbraw/zinc/99/50/22/685995022.db2.gz VQPBFFZFZONULP-ZDUSSCGKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000954324525 685995026 /nfs/dbraw/zinc/99/50/26/685995026.db2.gz VQPBFFZFZONULP-ZDUSSCGKSA-N 1 3 322.453 0.092 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+]1CC1CCC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001038534364 694108620 /nfs/dbraw/zinc/10/86/20/694108620.db2.gz GTWRFAGGYKZAHR-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+]1CC1CCC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001038534364 694108622 /nfs/dbraw/zinc/10/86/22/694108622.db2.gz GTWRFAGGYKZAHR-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC000960022647 688282767 /nfs/dbraw/zinc/28/27/67/688282767.db2.gz OIEWLRCABNJEBG-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cncn2C)C1 ZINC000962305357 688878364 /nfs/dbraw/zinc/87/83/64/688878364.db2.gz IRCVUXQZTGUEEE-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1ncc(CNCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000962700910 688968458 /nfs/dbraw/zinc/96/84/58/688968458.db2.gz FRVYULFNXOZHCG-MOKVOYLWSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1ncc(CNCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000962700910 688968461 /nfs/dbraw/zinc/96/84/61/688968461.db2.gz FRVYULFNXOZHCG-MOKVOYLWSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000965063754 689347519 /nfs/dbraw/zinc/34/75/19/689347519.db2.gz LVGVATWREIFHOU-CBTLZMEFSA-N 1 3 309.454 0.726 20 0 DCADHO C[C@H]1CCN(CCO)C[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000968525243 690304534 /nfs/dbraw/zinc/30/45/34/690304534.db2.gz OSLVAWIHWOEJJS-YOEHRIQHSA-N 1 3 323.481 0.927 20 0 DCADHO C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000968525240 690304818 /nfs/dbraw/zinc/30/48/18/690304818.db2.gz OSLVAWIHWOEJJS-PBHICJAKSA-N 1 3 323.481 0.927 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000968703149 690372775 /nfs/dbraw/zinc/37/27/75/690372775.db2.gz UGOVXADDVTYYNT-ZBFHGGJFSA-N 1 3 317.437 0.452 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1=O ZINC000968990178 690445368 /nfs/dbraw/zinc/44/53/68/690445368.db2.gz WMLUYGUBPJMSCY-ILXRZTDVSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC000968990146 690445526 /nfs/dbraw/zinc/44/55/26/690445526.db2.gz UVPGTIHFKYQBKL-CVEARBPZSA-N 1 3 321.469 0.739 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC000969076529 690464705 /nfs/dbraw/zinc/46/47/05/690464705.db2.gz AIOWFVMFDBIHQQ-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015323024 692263245 /nfs/dbraw/zinc/26/32/45/692263245.db2.gz GXCANVRQEJVMNY-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015323024 692263250 /nfs/dbraw/zinc/26/32/50/692263250.db2.gz GXCANVRQEJVMNY-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CCN(CCCO)C1)C1CC[NH+](CC2CC2)CC1 ZINC001015970408 692529399 /nfs/dbraw/zinc/52/93/99/692529399.db2.gz MGPSAUSLMNZPIG-MRXNPFEDSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC001018865484 693267643 /nfs/dbraw/zinc/26/76/43/693267643.db2.gz GQZWSZCKRSETRQ-VNHYZAJKSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC001018865484 693267649 /nfs/dbraw/zinc/26/76/49/693267649.db2.gz GQZWSZCKRSETRQ-VNHYZAJKSA-N 1 3 305.426 0.451 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001018999405 693315719 /nfs/dbraw/zinc/31/57/19/693315719.db2.gz QOCSUIFTQRMDKG-KBPBESRZSA-N 1 3 308.430 0.055 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1)[NH+](C)C ZINC001018999478 693315753 /nfs/dbraw/zinc/31/57/53/693315753.db2.gz TVOMZMCBLIHTGH-HOCLYGCPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)C(N)=O ZINC001019068769 693341891 /nfs/dbraw/zinc/34/18/91/693341891.db2.gz LLUQHZVMAZISJS-STQMWFEESA-N 1 3 324.469 0.704 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)C(N)=O ZINC001019068769 693341897 /nfs/dbraw/zinc/34/18/97/693341897.db2.gz LLUQHZVMAZISJS-STQMWFEESA-N 1 3 324.469 0.704 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001019380970 693454478 /nfs/dbraw/zinc/45/44/78/693454478.db2.gz ULGPYPCFRFUICD-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001019380970 693454481 /nfs/dbraw/zinc/45/44/81/693454481.db2.gz ULGPYPCFRFUICD-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001019386743 693457934 /nfs/dbraw/zinc/45/79/34/693457934.db2.gz VDISYAOCNHXASM-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001019386949 693457987 /nfs/dbraw/zinc/45/79/87/693457987.db2.gz ZQWYMZBGRBCCEZ-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)cc1 ZINC001019518325 693505556 /nfs/dbraw/zinc/50/55/56/693505556.db2.gz KAJQPPHNMYDTPZ-AWEZNQCLSA-N 1 3 304.394 0.038 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001019558590 693522061 /nfs/dbraw/zinc/52/20/61/693522061.db2.gz ANSZZPICBFWGDT-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)O)C2 ZINC001073462705 694729393 /nfs/dbraw/zinc/72/93/93/694729393.db2.gz XFJHEMPAAVAHPY-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001073462705 694729394 /nfs/dbraw/zinc/72/93/94/694729394.db2.gz XFJHEMPAAVAHPY-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073627290 694755016 /nfs/dbraw/zinc/75/50/16/694755016.db2.gz MFTXLLUORPDSFD-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073627290 694755017 /nfs/dbraw/zinc/75/50/17/694755017.db2.gz MFTXLLUORPDSFD-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(CCCF)CCCO2)CC1 ZINC001073756065 694777740 /nfs/dbraw/zinc/77/77/40/694777740.db2.gz RLBOGWVJQGFEHQ-OAHLLOKOSA-N 1 3 315.433 0.895 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)[C@@H]1CCCN1C ZINC001074561638 694907671 /nfs/dbraw/zinc/90/76/71/694907671.db2.gz HXQOWRUZSHSREC-QEJZJMRPSA-N 1 3 305.426 0.593 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001075154720 694940143 /nfs/dbraw/zinc/94/01/43/694940143.db2.gz BEPRCIZNBWZJAI-STQMWFEESA-N 1 3 321.425 0.400 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076925386 695101448 /nfs/dbraw/zinc/10/14/48/695101448.db2.gz HOHQIKWPNNFZEP-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076925386 695101449 /nfs/dbraw/zinc/10/14/49/695101449.db2.gz HOHQIKWPNNFZEP-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CCNC(=O)[C@H](C1CC1)[NH+](C)C)NC(=O)[C@H]1CCCN1C ZINC001076957752 695109377 /nfs/dbraw/zinc/10/93/77/695109377.db2.gz KECSYKNIFUNYFE-CFVMTHIKSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C[C@H](O)C[NH2+]CCc1cccs1)C(=O)Cc1c[nH]cn1 ZINC001571591672 1162835192 /nfs/dbraw/zinc/83/51/92/1162835192.db2.gz SFYZLBNAFKRQGP-CYBMUJFWSA-N 1 3 322.434 0.665 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H](C[NH2+]CCO)C2CC2)C1 ZINC001670522161 1157454792 /nfs/dbraw/zinc/45/47/92/1157454792.db2.gz HJQYIGJRXOVYFI-CJNGLKHVSA-N 1 3 315.433 0.676 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001691324484 1157642451 /nfs/dbraw/zinc/64/24/51/1157642451.db2.gz IFBGPDQCBGLBPQ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NC2CCCC2)CC[N@H+]1C ZINC001691324484 1157642456 /nfs/dbraw/zinc/64/24/56/1157642456.db2.gz IFBGPDQCBGLBPQ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH2+][C@@H]1CCCNC1=O ZINC001755526492 1158162751 /nfs/dbraw/zinc/16/27/51/1158162751.db2.gz JDQCEILCGULHKN-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCn2cncn2)CC1 ZINC001691528058 1158213946 /nfs/dbraw/zinc/21/39/46/1158213946.db2.gz GHRFITUWJMEFES-UHFFFAOYSA-N 1 3 308.430 0.058 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001648975189 1158223093 /nfs/dbraw/zinc/22/30/93/1158223093.db2.gz GWJIYCWFBCKVMF-PMPSAXMXSA-N 1 3 309.454 0.848 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](O)CNCCF)CC1 ZINC001755791305 1158261401 /nfs/dbraw/zinc/26/14/01/1158261401.db2.gz KNQRAALDAYQCSY-AWEZNQCLSA-N 1 3 303.422 0.485 20 0 DCADHO CCN(CC)[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000110389699 1158362838 /nfs/dbraw/zinc/36/28/38/1158362838.db2.gz BBTCIWNHKBNIOT-KBPBESRZSA-N 1 3 303.472 0.874 20 0 DCADHO [NH3+]CC1(O)CCN(C(=O)c2cccc3c2OCCNC3)CC1 ZINC001649006946 1158412164 /nfs/dbraw/zinc/41/21/64/1158412164.db2.gz CGMUZOJOXCOFJB-UHFFFAOYSA-N 1 3 305.378 0.094 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082109 1158436098 /nfs/dbraw/zinc/43/60/98/1158436098.db2.gz LEKQOSJCUKILQC-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082109 1158436103 /nfs/dbraw/zinc/43/61/03/1158436103.db2.gz LEKQOSJCUKILQC-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC[C@H](C)C1 ZINC001720096038 1158972384 /nfs/dbraw/zinc/97/23/84/1158972384.db2.gz VFLLYCGFLYDSPB-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC[C@H](C)C1 ZINC001720096038 1158972387 /nfs/dbraw/zinc/97/23/87/1158972387.db2.gz VFLLYCGFLYDSPB-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001390200575 1159213604 /nfs/dbraw/zinc/21/36/04/1159213604.db2.gz FJZXDZWWZGFHKE-YOEHRIQHSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001390200575 1159213608 /nfs/dbraw/zinc/21/36/08/1159213608.db2.gz FJZXDZWWZGFHKE-YOEHRIQHSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001445957427 1159325168 /nfs/dbraw/zinc/32/51/68/1159325168.db2.gz UYHIUXZBLUABPZ-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C[C@H]1C ZINC001446418498 1159407282 /nfs/dbraw/zinc/40/72/82/1159407282.db2.gz MOEKXTAHGIYZHY-HUUCEWRRSA-N 1 3 322.457 0.587 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)Cc1cnn(C)c1 ZINC001566575001 1160073504 /nfs/dbraw/zinc/07/35/04/1160073504.db2.gz QILQNDAWLRMFLC-UHFFFAOYSA-N 1 3 307.442 0.844 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)Cc1cnn(C)c1 ZINC001566575001 1160073510 /nfs/dbraw/zinc/07/35/10/1160073510.db2.gz QILQNDAWLRMFLC-UHFFFAOYSA-N 1 3 307.442 0.844 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2ccnn2C)CC[N@@H+]1C ZINC001567549482 1160417029 /nfs/dbraw/zinc/41/70/29/1160417029.db2.gz NKGSSZSLDWXLAG-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2ccnn2C)CC[N@H+]1C ZINC001567549482 1160417034 /nfs/dbraw/zinc/41/70/34/1160417034.db2.gz NKGSSZSLDWXLAG-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567610561 1160439731 /nfs/dbraw/zinc/43/97/31/1160439731.db2.gz FJBLUCOMXOYGGB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001568911472 1160860747 /nfs/dbraw/zinc/86/07/47/1160860747.db2.gz FHLJCBOMLYIOHF-GXMNPTEKSA-N 1 3 324.469 0.505 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCc2ccnn2C)C1 ZINC001569239385 1160990300 /nfs/dbraw/zinc/99/03/00/1160990300.db2.gz AVVSFCOVYSPRAX-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO Cc1nccnc1CNCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001569257594 1160995643 /nfs/dbraw/zinc/99/56/43/1160995643.db2.gz JJGJKEHEPLNRBX-UHFFFAOYSA-N 1 3 317.437 0.819 20 0 DCADHO CN(CCC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)CN1CCCC1 ZINC001569266897 1160998251 /nfs/dbraw/zinc/99/82/51/1160998251.db2.gz KAIPAJKIULDUNZ-UHFFFAOYSA-N 1 3 320.437 0.419 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001570159714 1161459362 /nfs/dbraw/zinc/45/93/62/1161459362.db2.gz HQCPUSNTJIYFOX-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@]1(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C[C@H](O)C[NH2+]1 ZINC001573600450 1163514050 /nfs/dbraw/zinc/51/40/50/1163514050.db2.gz FEJBLKIAXXVVEI-HLLBOEOZSA-N 1 3 319.405 0.305 20 0 DCADHO CC(C)(C)OC(=O)N1CCC(CNC[C@]2(O)CC[NH2+]C2)CC1 ZINC001575183391 1163932152 /nfs/dbraw/zinc/93/21/52/1163932152.db2.gz HUNJTQWVRUYMEV-INIZCTEOSA-N 1 3 313.442 0.948 20 0 DCADHO CC(C)(CNS(=O)(=O)[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC001575334954 1163979724 /nfs/dbraw/zinc/97/97/24/1163979724.db2.gz WIJUOWHLRBEYEQ-ZDUSSCGKSA-N 1 3 303.472 0.922 20 0 DCADHO C[C@H]1C[C@@H](NCc2c[nH]nn2)CN1C(=O)CCCC[NH+](C)C ZINC001576056531 1164226672 /nfs/dbraw/zinc/22/66/72/1164226672.db2.gz CIIWOFQRFRNOLF-QWHCGFSZSA-N 1 3 308.430 0.616 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cn[nH]n3)C2)CC[N@@H+]1C ZINC001576608768 1164412547 /nfs/dbraw/zinc/41/25/47/1164412547.db2.gz IYVDOQGYYDENQQ-MYZSUADSSA-N 1 3 320.441 0.519 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3cn[nH]n3)C2)CC[N@H+]1C ZINC001576608768 1164412552 /nfs/dbraw/zinc/41/25/52/1164412552.db2.gz IYVDOQGYYDENQQ-MYZSUADSSA-N 1 3 320.441 0.519 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)CN1Cc1ccccc1 ZINC001576614214 1164413970 /nfs/dbraw/zinc/41/39/70/1164413970.db2.gz ACRUSRQWWRWUFV-GRFMFAJESA-N 1 3 317.433 0.865 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC001578418494 1165007990 /nfs/dbraw/zinc/00/79/90/1165007990.db2.gz AJWXMYBXMZAICP-BFHYXJOUSA-N 1 3 320.441 0.954 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC001578421483 1165010837 /nfs/dbraw/zinc/01/08/37/1165010837.db2.gz ROCIXORSUFWTAF-UKRRQHHQSA-N 1 3 309.435 0.731 20 0 DCADHO CN(CC(F)F)C1CCN(C[C@@H]2CC3(C[NH2+]C3)C(=O)O2)CC1 ZINC001578442359 1165018432 /nfs/dbraw/zinc/01/84/32/1165018432.db2.gz QTARJISIKDIESP-LBPRGKRZSA-N 1 3 317.380 0.553 20 0 DCADHO CN(CCNC(=O)C[C@]1(O)CCC[NH2+]C1)Cc1ccccc1 ZINC001578474368 1165030036 /nfs/dbraw/zinc/03/00/36/1165030036.db2.gz VYZPTIMKFYUOLN-QGZVFWFLSA-N 1 3 305.422 0.739 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC001578533532 1165048137 /nfs/dbraw/zinc/04/81/37/1165048137.db2.gz MOUXPDHZUCKXSN-LQYUOIDQSA-N 1 3 308.470 0.684 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC001579463224 1165316486 /nfs/dbraw/zinc/31/64/86/1165316486.db2.gz QRWOQVSEYJPWDH-NVXWUHKLSA-N 1 3 316.449 0.923 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC001580278605 1165554984 /nfs/dbraw/zinc/55/49/84/1165554984.db2.gz OIZUFCZAASIOAS-XHSDSOJGSA-N 1 3 319.405 0.556 20 0 DCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001580662046 1165678659 /nfs/dbraw/zinc/67/86/59/1165678659.db2.gz ZMYMOYARDKEUOI-LSDHHAIUSA-N 1 3 322.453 0.681 20 0 DCADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1CCC2(C1)OCCO2 ZINC001580898254 1165754605 /nfs/dbraw/zinc/75/46/05/1165754605.db2.gz AQNXXJXQASBDLH-QWHCGFSZSA-N 1 3 307.398 0.588 20 0 DCADHO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(-c2nnn[n-]2)n1 ZINC001590783701 1167019993 /nfs/dbraw/zinc/01/99/93/1167019993.db2.gz FPOOACLMYUWTHW-CYBMUJFWSA-N 1 3 319.413 0.708 20 0 DCADHO COc1cc(C[NH2+]CCOCC[NH+](C)C)ccc1-c1nnn[n-]1 ZINC001605218861 1169876619 /nfs/dbraw/zinc/87/66/19/1169876619.db2.gz SLPSXGPITQBJBY-UHFFFAOYSA-N 1 3 320.397 0.543 20 0 DCADHO CO[C@H]1CN(C)[C@@](C)(COC(=O)COC2CC[NH+](C)CC2)C1 ZINC001649242676 1171611765 /nfs/dbraw/zinc/61/17/65/1171611765.db2.gz WJRYJOFUQOTFGE-GDBMZVCRSA-N 1 3 314.426 0.750 20 0 DCADHO Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CN(C)CCO1 ZINC001645583652 1172064586 /nfs/dbraw/zinc/06/45/86/1172064586.db2.gz KEJXRSOUSMZWIZ-AWEZNQCLSA-N 1 3 301.350 0.845 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CCC2OCCCO2)CC1 ZINC001645645772 1172087474 /nfs/dbraw/zinc/08/74/74/1172087474.db2.gz ZEMMUFHBYKTZKL-CQSZACIVSA-N 1 3 311.426 0.554 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCC2OCCCO2)CC1 ZINC001645645772 1172087480 /nfs/dbraw/zinc/08/74/80/1172087480.db2.gz ZEMMUFHBYKTZKL-CQSZACIVSA-N 1 3 311.426 0.554 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[C@H]2CSCC[NH2+]2)C1(C)C ZINC001646758366 1172514424 /nfs/dbraw/zinc/51/44/24/1172514424.db2.gz LCTBPWXNKHBRDU-ZOWXZIJZSA-N 1 3 315.483 0.730 20 0 DCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001646794399 1172536473 /nfs/dbraw/zinc/53/64/73/1172536473.db2.gz CTHVCHNGZXLABL-MKBNYLNASA-N 1 3 305.426 0.747 20 0 DCADHO O=C([C@H]1CC[NH2+]1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001646810504 1172545062 /nfs/dbraw/zinc/54/50/62/1172545062.db2.gz LTFSOVJKJWAYCH-UMVBOHGHSA-N 1 3 301.390 0.857 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001647563201 1172973767 /nfs/dbraw/zinc/97/37/67/1172973767.db2.gz YBYHEYUVLNLEOZ-QWHCGFSZSA-N 1 3 324.425 0.065 20 0 DCADHO CN(C[C@@H](O)C[NH2+]C1CCN(c2nccn2C)CC1)C1CC1 ZINC001650171008 1173496210 /nfs/dbraw/zinc/49/62/10/1173496210.db2.gz ZCOFZSLPXYUQDS-HNNXBMFYSA-N 1 3 307.442 0.434 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001650337980 1173576844 /nfs/dbraw/zinc/57/68/44/1173576844.db2.gz ZNXUATOBXDCKPQ-XJFOESAGSA-N 1 3 313.442 0.750 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001650337980 1173576846 /nfs/dbraw/zinc/57/68/46/1173576846.db2.gz ZNXUATOBXDCKPQ-XJFOESAGSA-N 1 3 313.442 0.750 20 0 DCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H](O)C[NH3+] ZINC001650344649 1173582456 /nfs/dbraw/zinc/58/24/56/1173582456.db2.gz CEKXYMNLMYWKDR-AWEZNQCLSA-N 1 3 313.829 0.940 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCN3C)C2)cc1 ZINC001650379386 1173603145 /nfs/dbraw/zinc/60/31/45/1173603145.db2.gz NTGOKDOGTXXBAO-IAGOWNOFSA-N 1 3 316.449 0.589 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)c1[nH]nc3c1CNCC3)CC2 ZINC001650400077 1173619471 /nfs/dbraw/zinc/61/94/71/1173619471.db2.gz PPDLDVBSZRSQTF-NSHDSACASA-N 1 3 319.409 0.025 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1(C)C ZINC001650415807 1173629079 /nfs/dbraw/zinc/62/90/79/1173629079.db2.gz PEGGEBRLZFSYKF-CLROSIBMSA-N 1 3 309.454 0.929 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1(C)C ZINC001650415807 1173629083 /nfs/dbraw/zinc/62/90/83/1173629083.db2.gz PEGGEBRLZFSYKF-CLROSIBMSA-N 1 3 309.454 0.929 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001663941751 1174374128 /nfs/dbraw/zinc/37/41/28/1174374128.db2.gz LVFRFWUPFKZMFU-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001663941751 1174374137 /nfs/dbraw/zinc/37/41/37/1174374137.db2.gz LVFRFWUPFKZMFU-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664369660 1174427021 /nfs/dbraw/zinc/42/70/21/1174427021.db2.gz GXQQJOLTIWLRGO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001664369660 1174427023 /nfs/dbraw/zinc/42/70/23/1174427023.db2.gz GXQQJOLTIWLRGO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2CNCCF)cn1 ZINC001666466174 1174604048 /nfs/dbraw/zinc/60/40/48/1174604048.db2.gz ZXHXZFQPSSOVJY-CQSZACIVSA-N 1 3 311.405 0.608 20 0 DCADHO COc1cc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001668310687 1174781866 /nfs/dbraw/zinc/78/18/66/1174781866.db2.gz XYVKRCUVBDUNIM-NEPJUHHUSA-N 1 3 310.398 0.619 20 0 DCADHO COc1cc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001668310687 1174781868 /nfs/dbraw/zinc/78/18/68/1174781868.db2.gz XYVKRCUVBDUNIM-NEPJUHHUSA-N 1 3 310.398 0.619 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnnn1C ZINC001668318712 1174782774 /nfs/dbraw/zinc/78/27/74/1174782774.db2.gz BMVSGPCUGAMIOG-UKRRQHHQSA-N 1 3 322.457 0.674 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001669118574 1174895784 /nfs/dbraw/zinc/89/57/84/1174895784.db2.gz OASIUKWLTLVEPF-LLYBFZRZSA-N 1 3 324.469 0.633 20 0 DCADHO COCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669399772 1174925239 /nfs/dbraw/zinc/92/52/39/1174925239.db2.gz NMSSQJTXJDGULL-IUODEOHRSA-N 1 3 303.422 0.940 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001672815256 1175154673 /nfs/dbraw/zinc/15/46/73/1175154673.db2.gz FKVQXBORMFWBEG-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001689269765 1176782907 /nfs/dbraw/zinc/78/29/07/1176782907.db2.gz ZPDGRYNLBOFSGI-OVNWPICBSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001689269765 1176782914 /nfs/dbraw/zinc/78/29/14/1176782914.db2.gz ZPDGRYNLBOFSGI-OVNWPICBSA-N 1 3 322.453 0.354 20 0 DCADHO CCCCCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001690249940 1177197778 /nfs/dbraw/zinc/19/77/78/1177197778.db2.gz QNDHBYKSGHDNIM-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCn1cncn1 ZINC001699055949 1177806883 /nfs/dbraw/zinc/80/68/83/1177806883.db2.gz BRWZHQZHNBNJBW-LSDHHAIUSA-N 1 3 322.457 0.493 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001699308915 1178053380 /nfs/dbraw/zinc/05/33/80/1178053380.db2.gz OWDRPSXEJAINHD-XHPSBEMXSA-N 1 3 320.437 0.488 20 0 DCADHO COCCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001700846650 1178775851 /nfs/dbraw/zinc/77/58/51/1178775851.db2.gz IHQBPZCWYRSAKI-JSGCOSHPSA-N 1 3 310.398 0.194 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001700957303 1178833093 /nfs/dbraw/zinc/83/30/93/1178833093.db2.gz HUXLHNCTTATPFN-OAHLLOKOSA-N 1 3 315.433 0.487 20 0 DCADHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](CCn2cccn2)CC1 ZINC001701062690 1178914322 /nfs/dbraw/zinc/91/43/22/1178914322.db2.gz KZXQVYNJVXLVAI-UHFFFAOYSA-N 1 3 319.453 0.972 20 0 DCADHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](CCn2cccn2)CC1 ZINC001701062690 1178914326 /nfs/dbraw/zinc/91/43/26/1178914326.db2.gz KZXQVYNJVXLVAI-UHFFFAOYSA-N 1 3 319.453 0.972 20 0 DCADHO CN(CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001703372196 1179506958 /nfs/dbraw/zinc/50/69/58/1179506958.db2.gz RWTALWJATZHJFH-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001703372196 1179506964 /nfs/dbraw/zinc/50/69/64/1179506964.db2.gz RWTALWJATZHJFH-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CCn2cccn2)C1 ZINC001707410027 1180493774 /nfs/dbraw/zinc/49/37/74/1180493774.db2.gz QDJIAKHMOGRNAG-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CCn2cccn2)C1 ZINC001707410027 1180493778 /nfs/dbraw/zinc/49/37/78/1180493778.db2.gz QDJIAKHMOGRNAG-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713354802 1180783255 /nfs/dbraw/zinc/78/32/55/1180783255.db2.gz CJPQWXSCTDQXHE-ZDUSSCGKSA-N 1 3 316.409 0.367 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001713621453 1180974044 /nfs/dbraw/zinc/97/40/44/1180974044.db2.gz PHSBAFFWZQYUBM-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713654364 1180997575 /nfs/dbraw/zinc/99/75/75/1180997575.db2.gz BKFUGMZXVDNDDM-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713654364 1180997582 /nfs/dbraw/zinc/99/75/82/1180997582.db2.gz BKFUGMZXVDNDDM-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)Cc1c[nH]cn1 ZINC001714778456 1181540384 /nfs/dbraw/zinc/54/03/84/1181540384.db2.gz UUIBKRUPHQLKOM-LBPRGKRZSA-N 1 3 307.398 0.011 20 0 DCADHO CCOCCCN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001714965121 1181618972 /nfs/dbraw/zinc/61/89/72/1181618972.db2.gz PHTVQHLUTQUMIG-INIZCTEOSA-N 1 3 309.454 0.803 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001715213733 1181718243 /nfs/dbraw/zinc/71/82/43/1181718243.db2.gz GRMAVFQWYAWCHG-CQSZACIVSA-N 1 3 308.430 0.201 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H](O)C[NH2+]CCCF)C1 ZINC001715601159 1181888088 /nfs/dbraw/zinc/88/80/88/1181888088.db2.gz NFQCAWJQYKJWOM-DOMZBBRYSA-N 1 3 321.412 0.625 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715697096 1181946335 /nfs/dbraw/zinc/94/63/35/1181946335.db2.gz MEUUWBQNPHMDGN-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001715697096 1181946342 /nfs/dbraw/zinc/94/63/42/1181946342.db2.gz MEUUWBQNPHMDGN-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)(C(=O)NC/C=C/CN[C@@H]1CCNC1=O)[NH+]1CCCCC1 ZINC001715821565 1182027129 /nfs/dbraw/zinc/02/71/29/1182027129.db2.gz STZDNJDRGGLFMU-ISZGNANSSA-N 1 3 322.453 0.401 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001715830003 1182033861 /nfs/dbraw/zinc/03/38/61/1182033861.db2.gz UJLFOMIXBVZKHC-WJNHHXLDSA-N 1 3 324.469 0.455 20 0 DCADHO Cc1nccnc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCN1C ZINC001716126614 1182203896 /nfs/dbraw/zinc/20/38/96/1182203896.db2.gz VNYDVYFXCXWEOR-DOMZBBRYSA-N 1 3 305.426 0.864 20 0 DCADHO Cn1cc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)cn1 ZINC001716277779 1182296846 /nfs/dbraw/zinc/29/68/46/1182296846.db2.gz UKYDYJJCPSRJKN-JZIMQPMSSA-N 1 3 305.426 0.319 20 0 DCADHO CCN(C)C(=O)CNC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716344384 1182348157 /nfs/dbraw/zinc/34/81/57/1182348157.db2.gz VEFUSHBGYHOSJB-GEXIGZQTSA-N 1 3 310.442 0.069 20 0 DCADHO CCN(C)C(=O)CNC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001716344384 1182348160 /nfs/dbraw/zinc/34/81/60/1182348160.db2.gz VEFUSHBGYHOSJB-GEXIGZQTSA-N 1 3 310.442 0.069 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)n1 ZINC001716453249 1182395227 /nfs/dbraw/zinc/39/52/27/1182395227.db2.gz YNMWGVMNURWZPK-OLZOCXBDSA-N 1 3 323.441 0.747 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnnn1C ZINC001716587199 1182457975 /nfs/dbraw/zinc/45/79/75/1182457975.db2.gz UQRSXAFBGGBJNI-HNNXBMFYSA-N 1 3 322.457 0.628 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNCc2cccc(F)c2)C1 ZINC001717065715 1182663453 /nfs/dbraw/zinc/66/34/53/1182663453.db2.gz OLMSECDPAZIMHH-OAHLLOKOSA-N 1 3 323.412 0.688 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNCc2cccc(F)c2)C1 ZINC001717065715 1182663457 /nfs/dbraw/zinc/66/34/57/1182663457.db2.gz OLMSECDPAZIMHH-OAHLLOKOSA-N 1 3 323.412 0.688 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)n[nH]1 ZINC001717291482 1182769183 /nfs/dbraw/zinc/76/91/83/1182769183.db2.gz YQMPEEKZVKYTRG-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)(C(=O)NC[C@H](CO)[NH2+]CCCF)N1CCCCC1 ZINC001717766636 1182987169 /nfs/dbraw/zinc/98/71/69/1182987169.db2.gz ZZILBOXGXJSLQW-CYBMUJFWSA-N 1 3 303.422 0.677 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000167214156 1183479632 /nfs/dbraw/zinc/47/96/32/1183479632.db2.gz LSSPSWUKPIVHFB-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001721858828 1184082758 /nfs/dbraw/zinc/08/27/58/1184082758.db2.gz KKLGBHKMAWVZGJ-XYBNCVKDSA-N 1 3 322.453 0.213 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001721858828 1184082765 /nfs/dbraw/zinc/08/27/65/1184082765.db2.gz KKLGBHKMAWVZGJ-XYBNCVKDSA-N 1 3 322.453 0.213 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)C23CC[NH+](CC2)C3)nn1C ZINC001723175882 1184271673 /nfs/dbraw/zinc/27/16/73/1184271673.db2.gz JLKRWYOKIPWBHT-UHFFFAOYSA-N 1 3 319.453 0.762 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001723205645 1184275797 /nfs/dbraw/zinc/27/57/97/1184275797.db2.gz ZYTLUEGCXYEUJS-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CCc2ccnn2C)C1 ZINC001731267522 1185230635 /nfs/dbraw/zinc/23/06/35/1185230635.db2.gz XHHRULPELMDKGD-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CCc2ccnn2C)C1 ZINC001731267522 1185230642 /nfs/dbraw/zinc/23/06/42/1185230642.db2.gz XHHRULPELMDKGD-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CC[C@@H](C(N)=O)N(CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731322812 1185267863 /nfs/dbraw/zinc/26/78/63/1185267863.db2.gz MZVVSWPCWAXWNQ-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CC[NH2+]CCOC[C@H]1CCCO1)C(=O)[C@@H]1CCCN1C ZINC001731897937 1185556656 /nfs/dbraw/zinc/55/66/56/1185556656.db2.gz HBJZGYULPVSQAB-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732691473 1185923061 /nfs/dbraw/zinc/92/30/61/1185923061.db2.gz AFMLPOHADDVXSR-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](CC[NH2+]CCO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732729099 1185940074 /nfs/dbraw/zinc/94/00/74/1185940074.db2.gz RUJOVIMRWQLIHH-WFASDCNBSA-N 1 3 303.422 0.676 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001732729394 1185940351 /nfs/dbraw/zinc/94/03/51/1185940351.db2.gz YUDSCCAZQNMFOC-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNCC(=O)N(C)C ZINC001732775161 1185962384 /nfs/dbraw/zinc/96/23/84/1185962384.db2.gz LZUVIOJWABPBSC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCC(=O)N(C)C ZINC001732775161 1185962397 /nfs/dbraw/zinc/96/23/97/1185962397.db2.gz LZUVIOJWABPBSC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001732807385 1185978305 /nfs/dbraw/zinc/97/83/05/1185978305.db2.gz NFGDSOKAVFSMNI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001732813250 1185980823 /nfs/dbraw/zinc/98/08/23/1185980823.db2.gz WRUXJWCBBRYTTF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCOCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733300120 1186218299 /nfs/dbraw/zinc/21/82/99/1186218299.db2.gz JIVAQOUIOUHUQM-INIZCTEOSA-N 1 3 306.410 0.913 20 0 DCADHO CCOCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001733300120 1186218304 /nfs/dbraw/zinc/21/83/04/1186218304.db2.gz JIVAQOUIOUHUQM-INIZCTEOSA-N 1 3 306.410 0.913 20 0 DCADHO CC1(C)CO[C@@H](C[NH2+]CCN(CCO)C(=O)Cc2c[nH]cn2)C1 ZINC001733624287 1186376258 /nfs/dbraw/zinc/37/62/58/1186376258.db2.gz JKGOBKIGLHTXCW-CQSZACIVSA-N 1 3 324.425 0.178 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCOCCO)[C@@H](C)C1 ZINC001733902783 1186493141 /nfs/dbraw/zinc/49/31/41/1186493141.db2.gz SZGDKMPIMDQHQR-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)[C@@H](C)C1 ZINC001733902783 1186493145 /nfs/dbraw/zinc/49/31/45/1186493145.db2.gz SZGDKMPIMDQHQR-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001736764709 1187094151 /nfs/dbraw/zinc/09/41/51/1187094151.db2.gz RPARBFCQTDDZJP-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001736764709 1187094154 /nfs/dbraw/zinc/09/41/54/1187094154.db2.gz RPARBFCQTDDZJP-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCCNC(=O)CC[NH+](C)C ZINC001737209597 1187286562 /nfs/dbraw/zinc/28/65/62/1187286562.db2.gz URCFTKNKHXWPAV-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)NC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001747228436 1188254589 /nfs/dbraw/zinc/25/45/89/1188254589.db2.gz VEDFCMAPMFJPKI-VOTSOKGWSA-N 1 3 324.469 0.459 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001753265562 1188553850 /nfs/dbraw/zinc/55/38/50/1188553850.db2.gz FURMMUHKKNIZIT-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001754007395 1188709536 /nfs/dbraw/zinc/70/95/36/1188709536.db2.gz LUTATCINYLJPKQ-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001754024986 1188714162 /nfs/dbraw/zinc/71/41/62/1188714162.db2.gz BIUDAIBXWWUJFS-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)N(C)C ZINC001754157298 1188763347 /nfs/dbraw/zinc/76/33/47/1188763347.db2.gz SSIAZHCWGFAKNG-PSKZRQQASA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H](CN(C)CCOCCO)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315572 1188817836 /nfs/dbraw/zinc/81/78/36/1188817836.db2.gz WNMZHVUDGAYBEF-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H](CCC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001755502595 1189130579 /nfs/dbraw/zinc/13/05/79/1189130579.db2.gz JNESYVCNNUIHDK-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001758214478 1189783908 /nfs/dbraw/zinc/78/39/08/1189783908.db2.gz GLGWIFAKHUKNAF-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001758214478 1189783912 /nfs/dbraw/zinc/78/39/12/1189783912.db2.gz GLGWIFAKHUKNAF-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001772253463 1190644773 /nfs/dbraw/zinc/64/47/73/1190644773.db2.gz CMZKUXUPVXWUKA-AWEZNQCLSA-N 1 3 314.389 0.239 20 0 DCADHO CN1CCN(c2cccc(N3CC[C@H]4[NH2+]CCO[C@H]4C3)n2)CC1 ZINC001164388980 718823641 /nfs/dbraw/zinc/82/36/41/718823641.db2.gz FUMZIJCHGVNZBM-CABCVRRESA-N 1 3 317.437 0.401 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2c1CNC2 ZINC001164928539 721857080 /nfs/dbraw/zinc/85/70/80/721857080.db2.gz OEJRHWSZORUJRG-HUUCEWRRSA-N 1 3 302.426 0.294 20 0 DCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2c1CNC2 ZINC001164928539 721857082 /nfs/dbraw/zinc/85/70/82/721857082.db2.gz OEJRHWSZORUJRG-HUUCEWRRSA-N 1 3 302.426 0.294 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475143 751412202 /nfs/dbraw/zinc/41/22/02/751412202.db2.gz ROGUPQIPQLTUGL-DZGCQCFKSA-N 1 3 324.469 0.195 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H]([NH3+])CC(F)(F)F)CC1 ZINC001578529680 1165047032 /nfs/dbraw/zinc/04/70/32/1165047032.db2.gz XDCOVCGFWAQWJK-NWDGAFQWSA-N 1 3 322.375 0.505 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480077 751414687 /nfs/dbraw/zinc/41/46/87/751414687.db2.gz IEMGBZSBQRKGBM-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1 ZINC001107042237 751787563 /nfs/dbraw/zinc/78/75/63/751787563.db2.gz BZHTTZAWJDZWHO-HZPDHXFCSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001107039293 751789645 /nfs/dbraw/zinc/78/96/45/751789645.db2.gz PPEVIGDKKGJZJY-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778002 752060936 /nfs/dbraw/zinc/06/09/36/752060936.db2.gz BXEWWNLEEACFJV-CHWSQXEVSA-N 1 3 324.450 0.521 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778002 752060940 /nfs/dbraw/zinc/06/09/40/752060940.db2.gz BXEWWNLEEACFJV-CHWSQXEVSA-N 1 3 324.450 0.521 20 0 DCADHO O=C(NCCNCc1ccsc1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786254 752090074 /nfs/dbraw/zinc/09/00/74/752090074.db2.gz WXXDZXQZCWQDHQ-KBPBESRZSA-N 1 3 309.435 0.817 20 0 DCADHO O=C(NCCNCc1ccsc1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786254 752090082 /nfs/dbraw/zinc/09/00/82/752090082.db2.gz WXXDZXQZCWQDHQ-KBPBESRZSA-N 1 3 309.435 0.817 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618371 752110792 /nfs/dbraw/zinc/11/07/92/752110792.db2.gz GCUDFSWTGNMZBS-MRVWCRGKSA-N 1 3 301.406 0.238 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001210789693 747130878 /nfs/dbraw/zinc/13/08/78/747130878.db2.gz QQWOILRTPLPXTJ-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001210789693 747130880 /nfs/dbraw/zinc/13/08/80/747130880.db2.gz QQWOILRTPLPXTJ-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167385493 747155309 /nfs/dbraw/zinc/15/53/09/747155309.db2.gz GJJIDTFPHHMBEC-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001211286766 747191562 /nfs/dbraw/zinc/19/15/62/747191562.db2.gz WHRSVHHKHMDEQF-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001167480896 747277421 /nfs/dbraw/zinc/27/74/21/747277421.db2.gz WJGRQMNDIQUAOU-UHFFFAOYSA-N 1 3 322.457 0.496 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1 ZINC001167480829 747277753 /nfs/dbraw/zinc/27/77/53/747277753.db2.gz SKIYUWVYFIBRFJ-AWEZNQCLSA-N 1 3 315.458 0.212 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001167627916 747436247 /nfs/dbraw/zinc/43/62/47/747436247.db2.gz UNMYNAZIGKRBFQ-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001167627601 747436687 /nfs/dbraw/zinc/43/66/87/747436687.db2.gz QIKAIFAPZPGIGB-HNNXBMFYSA-N 1 3 315.458 0.354 20 0 DCADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001087245671 747519252 /nfs/dbraw/zinc/51/92/52/747519252.db2.gz DPWIUGRIUSZOCX-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO CCC(C)(CC)OC(=O)C[C@H](N)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550090 748348586 /nfs/dbraw/zinc/34/85/86/748348586.db2.gz CFRRYFVCJYUGEQ-LBPRGKRZSA-N 1 3 311.426 0.790 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029764 749097848 /nfs/dbraw/zinc/09/78/48/749097848.db2.gz JMGUOMAWSQMKHP-DZGCQCFKSA-N 1 3 320.441 0.428 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029764 749097854 /nfs/dbraw/zinc/09/78/54/749097854.db2.gz JMGUOMAWSQMKHP-DZGCQCFKSA-N 1 3 320.441 0.428 20 0 DCADHO NC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001088315096 749364584 /nfs/dbraw/zinc/36/45/84/749364584.db2.gz OESACZMLWXXMKA-GJZGRUSLSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001088317512 749365206 /nfs/dbraw/zinc/36/52/06/749365206.db2.gz FJVGBTURAUBGLZ-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001088317512 749365213 /nfs/dbraw/zinc/36/52/13/749365213.db2.gz FJVGBTURAUBGLZ-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CN1CCO ZINC001071599956 761984014 /nfs/dbraw/zinc/98/40/14/761984014.db2.gz BXYKRBBOFMYBJX-GJZGRUSLSA-N 1 3 309.454 0.824 20 0 DCADHO COCCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912552 750723898 /nfs/dbraw/zinc/72/38/98/750723898.db2.gz FAMGBJPCPNINDX-HIFRSBDPSA-N 1 3 323.441 0.284 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCn1cccn1 ZINC001088983822 750754906 /nfs/dbraw/zinc/75/49/06/750754906.db2.gz QCKGNFDJPMSTPZ-CABCVRRESA-N 1 3 317.437 0.558 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)N(C)C ZINC001106704968 751238441 /nfs/dbraw/zinc/23/84/41/751238441.db2.gz LGUFFMIDTOLCPT-JHJVBQTASA-N 1 3 321.425 0.113 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001168595664 752670268 /nfs/dbraw/zinc/67/02/68/752670268.db2.gz NVZNQFISAZDOSP-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCN(CC)C2=O)CC1 ZINC001203460696 752675022 /nfs/dbraw/zinc/67/50/22/752675022.db2.gz VTHQZFWDMSIGRU-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C[C@H]2C)CC1 ZINC001044790122 752876699 /nfs/dbraw/zinc/87/66/99/752876699.db2.gz BOSLCGHKSTZDEW-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC001044857036 752903423 /nfs/dbraw/zinc/90/34/23/752903423.db2.gz DPXCSXMUPAPTMH-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001078200209 753101905 /nfs/dbraw/zinc/10/19/05/753101905.db2.gz OFMNXPBLHBZBMQ-SWLSCSKDSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001045273841 753123856 /nfs/dbraw/zinc/12/38/56/753123856.db2.gz XQVMIXUEVZYFLG-KBPBESRZSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001045273841 753123860 /nfs/dbraw/zinc/12/38/60/753123860.db2.gz XQVMIXUEVZYFLG-KBPBESRZSA-N 1 3 320.441 0.536 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064672 753459210 /nfs/dbraw/zinc/45/92/10/753459210.db2.gz RMCYXSULTFFDJY-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064672 753459212 /nfs/dbraw/zinc/45/92/12/753459212.db2.gz RMCYXSULTFFDJY-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046489923 753746710 /nfs/dbraw/zinc/74/67/10/753746710.db2.gz CYDIDYDRAFKNBV-OGOZQZCJSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046489923 753746716 /nfs/dbraw/zinc/74/67/16/753746716.db2.gz CYDIDYDRAFKNBV-OGOZQZCJSA-N 1 3 307.438 0.839 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001168748101 754101520 /nfs/dbraw/zinc/10/15/20/754101520.db2.gz USSPZGPZSUZGON-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001128773925 754269826 /nfs/dbraw/zinc/26/98/26/754269826.db2.gz IXZVOEQPAKQSOU-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001128773925 754269833 /nfs/dbraw/zinc/26/98/33/754269833.db2.gz IXZVOEQPAKQSOU-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048859956 754982902 /nfs/dbraw/zinc/98/29/02/754982902.db2.gz AOCRXAJJZAWDFR-SOUVJXGZSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048859956 754982906 /nfs/dbraw/zinc/98/29/06/754982906.db2.gz AOCRXAJJZAWDFR-SOUVJXGZSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864148 754986662 /nfs/dbraw/zinc/98/66/62/754986662.db2.gz FKLNYYJGMVKZCW-KFWWJZLASA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864148 754986666 /nfs/dbraw/zinc/98/66/66/754986666.db2.gz FKLNYYJGMVKZCW-KFWWJZLASA-N 1 3 309.454 0.896 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001168763060 755091862 /nfs/dbraw/zinc/09/18/62/755091862.db2.gz JBFRSSXERFTHBR-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049060500 755097440 /nfs/dbraw/zinc/09/74/40/755097440.db2.gz UGRWAWJNHBJQNL-KFWWJZLASA-N 1 3 309.454 0.489 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049060500 755097445 /nfs/dbraw/zinc/09/74/45/755097445.db2.gz UGRWAWJNHBJQNL-KFWWJZLASA-N 1 3 309.454 0.489 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001168763152 755104329 /nfs/dbraw/zinc/10/43/29/755104329.db2.gz KZFBDFPBRQBRAF-CYBMUJFWSA-N 1 3 321.487 0.105 20 0 DCADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)O1 ZINC001049083858 755109165 /nfs/dbraw/zinc/10/91/65/755109165.db2.gz WWVPNMUYALEGGU-HGTKMLMNSA-N 1 3 318.421 0.910 20 0 DCADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)O1 ZINC001049083858 755109169 /nfs/dbraw/zinc/10/91/69/755109169.db2.gz WWVPNMUYALEGGU-HGTKMLMNSA-N 1 3 318.421 0.910 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001063346855 755156029 /nfs/dbraw/zinc/15/60/29/755156029.db2.gz WPLAQORCWQSTGJ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001063346855 755156033 /nfs/dbraw/zinc/15/60/33/755156033.db2.gz WPLAQORCWQSTGJ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080934882 756390736 /nfs/dbraw/zinc/39/07/36/756390736.db2.gz FBIGRZWDCIBTGM-IJEWVQPXSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080934882 756390740 /nfs/dbraw/zinc/39/07/40/756390740.db2.gz FBIGRZWDCIBTGM-IJEWVQPXSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001054297677 756427825 /nfs/dbraw/zinc/42/78/25/756427825.db2.gz OOWZTIQBDTZSFY-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001054297677 756427829 /nfs/dbraw/zinc/42/78/29/756427829.db2.gz OOWZTIQBDTZSFY-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1NCCF ZINC001054656304 756601039 /nfs/dbraw/zinc/60/10/39/756601039.db2.gz OFFUMSMBHQFSOK-OCCSQVGLSA-N 1 3 311.405 0.464 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054736150 756620760 /nfs/dbraw/zinc/62/07/60/756620760.db2.gz JBTXZCYOZDIGBH-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC001054734531 756621206 /nfs/dbraw/zinc/62/12/06/756621206.db2.gz FYWLUIXOWMWZNZ-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO CN(c1ccc(OCCC[NH+](C)C)nc1)S(=O)(=O)CCN ZINC001164297237 756715917 /nfs/dbraw/zinc/71/59/17/756715917.db2.gz MUUOOZMDJMATSL-UHFFFAOYSA-N 1 3 316.427 0.137 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082448167 757135353 /nfs/dbraw/zinc/13/53/53/757135353.db2.gz GRORLFPTIXMKOT-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082559616 757186258 /nfs/dbraw/zinc/18/62/58/757186258.db2.gz KNBLQESFUPIROD-DAXOMENPSA-N 1 3 319.453 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001082862011 757303807 /nfs/dbraw/zinc/30/38/07/757303807.db2.gz VOONADOHPOMNNY-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001082862011 757303817 /nfs/dbraw/zinc/30/38/17/757303817.db2.gz VOONADOHPOMNNY-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084347426 757796179 /nfs/dbraw/zinc/79/61/79/757796179.db2.gz RHHXMMWKHYXXHJ-BZUAXINKSA-N 1 3 307.438 0.243 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084405152 757837344 /nfs/dbraw/zinc/83/73/44/757837344.db2.gz AMABGZGELCOJMO-OWCLPIDISA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084405152 757837357 /nfs/dbraw/zinc/83/73/57/757837357.db2.gz AMABGZGELCOJMO-OWCLPIDISA-N 1 3 309.454 0.774 20 0 DCADHO COCCN1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702196 757978660 /nfs/dbraw/zinc/97/86/60/757978660.db2.gz LYZCEKWHCWINHW-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085217545 758765262 /nfs/dbraw/zinc/76/52/62/758765262.db2.gz FYLSXBJTQCGNQU-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3cncs3)C2)C1 ZINC001051932617 759045168 /nfs/dbraw/zinc/04/51/68/759045168.db2.gz UWEJMUKHGVYBIZ-CHWSQXEVSA-N 1 3 324.450 0.412 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3cncs3)C2)C1 ZINC001051932617 759045173 /nfs/dbraw/zinc/04/51/73/759045173.db2.gz UWEJMUKHGVYBIZ-CHWSQXEVSA-N 1 3 324.450 0.412 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107121 759184370 /nfs/dbraw/zinc/18/43/70/759184370.db2.gz BHSJTCBPCMWIIA-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107121 759184375 /nfs/dbraw/zinc/18/43/75/759184375.db2.gz BHSJTCBPCMWIIA-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147823252 767852014 /nfs/dbraw/zinc/85/20/14/767852014.db2.gz CITJCKGQTHONIE-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001147877927 767870985 /nfs/dbraw/zinc/87/09/85/767870985.db2.gz POUQQKOFFHAKJS-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001147877927 767870994 /nfs/dbraw/zinc/87/09/94/767870994.db2.gz POUQQKOFFHAKJS-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086084273 759694060 /nfs/dbraw/zinc/69/40/60/759694060.db2.gz KJRNIZQBYINGKG-MQYQWHSLSA-N 1 3 310.442 0.217 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001129327006 759785239 /nfs/dbraw/zinc/78/52/39/759785239.db2.gz DHNKNEBGQRCURG-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001129327006 759785248 /nfs/dbraw/zinc/78/52/48/759785248.db2.gz DHNKNEBGQRCURG-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](CCCCOC)C[C@@H]1O ZINC001100042229 759829137 /nfs/dbraw/zinc/82/91/37/759829137.db2.gz WECHIOXFCAPTOM-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](CCCCOC)C[C@@H]1O ZINC001100042229 759829148 /nfs/dbraw/zinc/82/91/48/759829148.db2.gz WECHIOXFCAPTOM-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000077 767893768 /nfs/dbraw/zinc/89/37/68/767893768.db2.gz JRPVZRMJANPSSF-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(C)(C)C ZINC001148000634 767894525 /nfs/dbraw/zinc/89/45/25/767894525.db2.gz SSLOZJMXDCJDIB-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001086278622 759943201 /nfs/dbraw/zinc/94/32/01/759943201.db2.gz GBCCUUQPQMVKJW-LJISPDSOSA-N 1 3 324.469 0.609 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086278039 759944156 /nfs/dbraw/zinc/94/41/56/759944156.db2.gz DYZNFNGANQGOQI-XGUBFFRZSA-N 1 3 322.453 0.234 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCCN(C)CC2)CO1 ZINC001169335400 760650439 /nfs/dbraw/zinc/65/04/39/760650439.db2.gz RPWJKOIYHOIHHY-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363141 761046146 /nfs/dbraw/zinc/04/61/46/761046146.db2.gz GJAFVCHUEJFDBT-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831215 761069756 /nfs/dbraw/zinc/06/97/56/761069756.db2.gz ASHISCWCWNFDQG-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001148844478 768041930 /nfs/dbraw/zinc/04/19/30/768041930.db2.gz NKTJKPXDPAYLRR-UHFFFAOYSA-N 1 3 319.453 0.758 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001148844478 768041935 /nfs/dbraw/zinc/04/19/35/768041935.db2.gz NKTJKPXDPAYLRR-UHFFFAOYSA-N 1 3 319.453 0.758 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131597 761515413 /nfs/dbraw/zinc/51/54/13/761515413.db2.gz GFCIIFPLSDSCDT-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131597 761515421 /nfs/dbraw/zinc/51/54/21/761515421.db2.gz GFCIIFPLSDSCDT-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112567275 761696259 /nfs/dbraw/zinc/69/62/59/761696259.db2.gz GFVSDZUAJYLWNM-BBRMVZONSA-N 1 3 310.442 0.032 20 0 DCADHO CN(CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001071259644 761751925 /nfs/dbraw/zinc/75/19/25/761751925.db2.gz UTZXWSXBLLRCDF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086550296 761792362 /nfs/dbraw/zinc/79/23/62/761792362.db2.gz CMCXNJUOXURINA-IHRRRGAJSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086550296 761792364 /nfs/dbraw/zinc/79/23/64/761792364.db2.gz CMCXNJUOXURINA-IHRRRGAJSA-N 1 3 320.441 0.234 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099222961 762836913 /nfs/dbraw/zinc/83/69/13/762836913.db2.gz AGSLKTVHQUCJQP-GMTAPVOTSA-N 1 3 309.332 0.052 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001129421610 762933828 /nfs/dbraw/zinc/93/38/28/762933828.db2.gz ARMQSWHKMZVHIX-ZFWWWQNUSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001129421610 762933835 /nfs/dbraw/zinc/93/38/35/762933835.db2.gz ARMQSWHKMZVHIX-ZFWWWQNUSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001129422331 762935132 /nfs/dbraw/zinc/93/51/32/762935132.db2.gz HLQZEYGBPWOMRB-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001129422331 762935135 /nfs/dbraw/zinc/93/51/35/762935135.db2.gz HLQZEYGBPWOMRB-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)c1cc(C[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)ccn1 ZINC001129436731 762944103 /nfs/dbraw/zinc/94/41/03/762944103.db2.gz SBECOUWTBMYIIL-INIZCTEOSA-N 1 3 319.453 0.694 20 0 DCADHO COC(=O)c1cnc(Cl)nc1NC(=[NH2+])N1CCN(C)CC1 ZINC001157914652 763130372 /nfs/dbraw/zinc/13/03/72/763130372.db2.gz JXPMYEQCFUJWMT-UHFFFAOYSA-N 1 3 312.761 0.511 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186159 763163443 /nfs/dbraw/zinc/16/34/43/763163443.db2.gz BSOUAXKXAMNZAR-DZGCQCFKSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186159 763163447 /nfs/dbraw/zinc/16/34/47/763163447.db2.gz BSOUAXKXAMNZAR-DZGCQCFKSA-N 1 3 305.426 0.643 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001086997117 768112703 /nfs/dbraw/zinc/11/27/03/768112703.db2.gz LUSRMQWEMVTFPF-VNQPRFMTSA-N 1 3 319.453 0.666 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001130426811 763298941 /nfs/dbraw/zinc/29/89/41/763298941.db2.gz CONPSBQVWHIQFA-GFCCVEGCSA-N 1 3 321.487 0.103 20 0 DCADHO COCCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131296 763337714 /nfs/dbraw/zinc/33/77/14/763337714.db2.gz ASRSJMJMMCJPHR-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO COCCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131296 763337724 /nfs/dbraw/zinc/33/77/24/763337724.db2.gz ASRSJMJMMCJPHR-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1nc(CNCCNC(=O)CCN(C)c2cc[nH+]cc2)n[nH]1 ZINC001130558789 763382981 /nfs/dbraw/zinc/38/29/81/763382981.db2.gz OXCNCLJAEGRFPJ-UHFFFAOYSA-N 1 3 317.397 0.240 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001130713061 763451254 /nfs/dbraw/zinc/45/12/54/763451254.db2.gz AMJIMZDZRDZCTK-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001130713061 763451257 /nfs/dbraw/zinc/45/12/57/763451257.db2.gz AMJIMZDZRDZCTK-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678806 763721260 /nfs/dbraw/zinc/72/12/60/763721260.db2.gz XUYAIUQKRPEMGQ-NFOMZHRRSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](Nc1cncc(N2CCC([NH3+])CC2)n1)[C@@H]1CNCCO1 ZINC001170563294 763832181 /nfs/dbraw/zinc/83/21/81/763832181.db2.gz LEBGZHWKTOQQHY-YPMHNXCESA-N 1 3 306.414 0.193 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790428 764014401 /nfs/dbraw/zinc/01/44/01/764014401.db2.gz NKOXBJDVPKUOJZ-CJNGLKHVSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)NCC1CC1 ZINC001131786101 764031921 /nfs/dbraw/zinc/03/19/21/764031921.db2.gz FJTIFWGCTBCVKS-MRXNPFEDSA-N 1 3 322.453 0.093 20 0 DCADHO CCCNC(=O)CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131837142 764071222 /nfs/dbraw/zinc/07/12/22/764071222.db2.gz QYCJFPDIRFCXJA-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CN1CCO ZINC001132140574 764268868 /nfs/dbraw/zinc/26/88/68/764268868.db2.gz JFDSTRSDICUGCC-HUUCEWRRSA-N 1 3 320.437 0.869 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046260 764506211 /nfs/dbraw/zinc/50/62/11/764506211.db2.gz UYTQGPOEKKNPNK-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046260 764506214 /nfs/dbraw/zinc/50/62/14/764506214.db2.gz UYTQGPOEKKNPNK-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046131 764506280 /nfs/dbraw/zinc/50/62/80/764506280.db2.gz OEHZDKHSYPJSRI-MCIONIFRSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046131 764506287 /nfs/dbraw/zinc/50/62/87/764506287.db2.gz OEHZDKHSYPJSRI-MCIONIFRSA-N 1 3 322.453 0.043 20 0 DCADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294411 764581434 /nfs/dbraw/zinc/58/14/34/764581434.db2.gz XHOAYCKOWBWBPQ-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886268 764708411 /nfs/dbraw/zinc/70/84/11/764708411.db2.gz IBZHTGQVSKSFGS-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886268 764708415 /nfs/dbraw/zinc/70/84/15/764708415.db2.gz IBZHTGQVSKSFGS-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO COc1ncc(CNCCNC(=O)C2CC[NH+](C)CC2)c(C)n1 ZINC001133285986 764905660 /nfs/dbraw/zinc/90/56/60/764905660.db2.gz REGNTLNYXGRVCD-UHFFFAOYSA-N 1 3 321.425 0.341 20 0 DCADHO C[C@H](C1CC1)N(C(=O)CNCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291205 764908428 /nfs/dbraw/zinc/90/84/28/764908428.db2.gz LNDUTPZWLJASDQ-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCc1cccs1 ZINC001133291229 764909272 /nfs/dbraw/zinc/90/92/72/764909272.db2.gz MDBLNJLMRLBXHD-UHFFFAOYSA-N 1 3 312.439 0.022 20 0 DCADHO C[NH+](C)CCC(=O)NCCNC[C@H](O)c1cc(F)ccc1F ZINC001133294360 764911293 /nfs/dbraw/zinc/91/12/93/764911293.db2.gz FMZWQOBHXXPMSE-AWEZNQCLSA-N 1 3 315.364 0.656 20 0 DCADHO CNC(=O)c1ccc(CNCCNC(=O)CC[NH+](C)C)cc1 ZINC001133294409 764911376 /nfs/dbraw/zinc/91/13/76/764911376.db2.gz HTZLFRBLZYKTTR-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)NCC1CC1)[NH+](CC)CC ZINC001133684753 765091737 /nfs/dbraw/zinc/09/17/37/765091737.db2.gz MPFIYBOYLXQASU-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 ZINC001133819430 765149817 /nfs/dbraw/zinc/14/98/17/765149817.db2.gz BVXYAVUCPINFNB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 ZINC001133819430 765149819 /nfs/dbraw/zinc/14/98/19/765149819.db2.gz BVXYAVUCPINFNB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849942 765183122 /nfs/dbraw/zinc/18/31/22/765183122.db2.gz HUPQSVKLNNYGBL-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849942 765183130 /nfs/dbraw/zinc/18/31/30/765183130.db2.gz HUPQSVKLNNYGBL-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001133896336 765214586 /nfs/dbraw/zinc/21/45/86/765214586.db2.gz JAMBYZAZWQZMBH-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1COc2ccccc2O1)N(C)C ZINC001133966252 765258359 /nfs/dbraw/zinc/25/83/59/765258359.db2.gz ZOPLJZSQSDWAOK-KGLIPLIRSA-N 1 3 321.421 0.872 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001134766003 765661070 /nfs/dbraw/zinc/66/10/70/765661070.db2.gz CHQCEFUZDOCRJT-INIZCTEOSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NCc1ccco1 ZINC001124866766 768316898 /nfs/dbraw/zinc/31/68/98/768316898.db2.gz KNFKWQKEYSKEEV-GXTWGEPZSA-N 1 3 322.409 0.084 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)C(C)C ZINC001135473935 765943616 /nfs/dbraw/zinc/94/36/16/765943616.db2.gz AVWRIFQFSYVMQU-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1cnn(C)c1)C(C)C ZINC001135477718 765950463 /nfs/dbraw/zinc/95/04/63/765950463.db2.gz NWOFDIVVFNTMCX-HNNXBMFYSA-N 1 3 309.458 0.992 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC001135513508 765967440 /nfs/dbraw/zinc/96/74/40/765967440.db2.gz QBXLJAVBRPSFCW-INIZCTEOSA-N 1 3 323.437 0.776 20 0 DCADHO CCC[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117077098 765974685 /nfs/dbraw/zinc/97/46/85/765974685.db2.gz XNECLFSXXAHUQL-CYBMUJFWSA-N 1 3 300.447 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135743388 766085113 /nfs/dbraw/zinc/08/51/13/766085113.db2.gz JTNZKMPRMSSRCW-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001136032328 766216974 /nfs/dbraw/zinc/21/69/74/766216974.db2.gz ZDOQBLLIVQCHEK-RYUDHWBXSA-N 1 3 312.414 0.142 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120422056 767005217 /nfs/dbraw/zinc/00/52/17/767005217.db2.gz IRLMJYFPCVOAPB-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@H](O)C1CCCCC1 ZINC001149122879 767480624 /nfs/dbraw/zinc/48/06/24/767480624.db2.gz DHDSBTUWBGXLHX-HNNXBMFYSA-N 1 3 308.426 0.908 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001121267321 767489666 /nfs/dbraw/zinc/48/96/66/767489666.db2.gz LJUJWQUSCUQMCP-QXXLLSFRSA-N 1 3 324.469 0.336 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001146705344 767497984 /nfs/dbraw/zinc/49/79/84/767497984.db2.gz NOMYGZWVHRLXCI-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001146705344 767497989 /nfs/dbraw/zinc/49/79/89/767497989.db2.gz NOMYGZWVHRLXCI-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294006 767641109 /nfs/dbraw/zinc/64/11/09/767641109.db2.gz PGCLTJMAAMTKPA-UHFFFAOYSA-N 1 3 309.439 0.538 20 0 DCADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001161051540 767821590 /nfs/dbraw/zinc/82/15/90/767821590.db2.gz VSHFIQNWJQOWSZ-KGLIPLIRSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001161051540 767821598 /nfs/dbraw/zinc/82/15/98/767821598.db2.gz VSHFIQNWJQOWSZ-KGLIPLIRSA-N 1 3 310.442 0.267 20 0 DCADHO CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@H]1CCC2(C1)OCCO2 ZINC001161218007 768589057 /nfs/dbraw/zinc/58/90/57/768589057.db2.gz GPAHVUVSSCPPAP-KBPBESRZSA-N 1 3 313.442 0.800 20 0 DCADHO CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001093930185 768773011 /nfs/dbraw/zinc/77/30/11/768773011.db2.gz KPRWZEVTSIMGCC-RJZXRHAOSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCF)CCCO2)C1 ZINC001150333374 769066337 /nfs/dbraw/zinc/06/63/37/769066337.db2.gz MLDFGYWZAHVWCW-HUUCEWRRSA-N 1 3 315.433 0.895 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCF)CCCO2)C1 ZINC001150333374 769066344 /nfs/dbraw/zinc/06/63/44/769066344.db2.gz MLDFGYWZAHVWCW-HUUCEWRRSA-N 1 3 315.433 0.895 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCc2ccc3nonc3c2)C1 ZINC001151065851 769250262 /nfs/dbraw/zinc/25/02/62/769250262.db2.gz NSOCBGWWBZNQRM-GFCCVEGCSA-N 1 3 303.366 0.380 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCc2ccc3nonc3c2)C1 ZINC001151065851 769250269 /nfs/dbraw/zinc/25/02/69/769250269.db2.gz NSOCBGWWBZNQRM-GFCCVEGCSA-N 1 3 303.366 0.380 20 0 DCADHO CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171509762 769313456 /nfs/dbraw/zinc/31/34/56/769313456.db2.gz UOCVPNOPIRDCFT-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CN1CC[C@H](NCCNC(=O)CCC[NH+]2CCCCC2)C1=O ZINC001151362016 769321354 /nfs/dbraw/zinc/32/13/54/769321354.db2.gz SROJFQLDKRZINM-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO COc1ccc(CNCCCNC(=O)CCCC[NH+](C)C)nn1 ZINC001171576365 769323457 /nfs/dbraw/zinc/32/34/57/769323457.db2.gz WUPUSGJBHLFEJW-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001171757654 769368514 /nfs/dbraw/zinc/36/85/14/769368514.db2.gz LNSUVNPXSJYUSV-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)N1CCCC1 ZINC001152340768 769531285 /nfs/dbraw/zinc/53/12/85/769531285.db2.gz XYHHSCYQZNFIMP-UHFFFAOYSA-N 1 3 310.442 0.191 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001152348901 769532915 /nfs/dbraw/zinc/53/29/15/769532915.db2.gz SDVCUFUSCACABD-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCn1cncn1 ZINC001152383016 769539897 /nfs/dbraw/zinc/53/98/97/769539897.db2.gz APLHQLGSYAPWDK-UHFFFAOYSA-N 1 3 316.409 0.359 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F ZINC001152445210 769557833 /nfs/dbraw/zinc/55/78/33/769557833.db2.gz DNOCQMDKXJNRBW-OAHLLOKOSA-N 1 3 311.401 0.905 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1=O ZINC001152480345 769573069 /nfs/dbraw/zinc/57/30/69/769573069.db2.gz QZWYASKNCIDVLS-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN2C)C[C@@H]1C(=O)OC ZINC001173568592 769661945 /nfs/dbraw/zinc/66/19/45/769661945.db2.gz YSEVRKVNQRVOGR-XDQVBPFNSA-N 1 3 312.410 0.801 20 0 DCADHO COC(=O)[C@@H]1C[C@H](NCc2ccccc2C[NH3+])C[C@@H]1C(=O)OC ZINC001173583127 769679823 /nfs/dbraw/zinc/67/98/23/769679823.db2.gz QNQWZFFGJFWYFE-QDMKHBRRSA-N 1 3 320.389 0.976 20 0 DCADHO COCCC1([NH3+])CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173741244 769706964 /nfs/dbraw/zinc/70/69/64/769706964.db2.gz BMVIXNQCYHWWEP-KGLIPLIRSA-N 1 3 308.430 0.987 20 0 DCADHO c1cc(CN2CC[C@@H]3OCCN[C@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235206613 769779143 /nfs/dbraw/zinc/77/91/43/769779143.db2.gz PVQXUERGJUXGOY-ROUUACIJSA-N 1 3 316.449 0.659 20 0 DCADHO Cc1ncccc1NC(=O)[C@H]1COC[C@H]2C[N@@H+](C[C@H](C)N)C[C@H]21 ZINC001235518383 769871723 /nfs/dbraw/zinc/87/17/23/769871723.db2.gz LBVMJKXYFHJMLT-MYPMTAMASA-N 1 3 318.421 0.870 20 0 DCADHO Cc1ncccc1NC(=O)[C@H]1COC[C@H]2C[N@H+](C[C@H](C)N)C[C@H]21 ZINC001235518383 769871732 /nfs/dbraw/zinc/87/17/32/769871732.db2.gz LBVMJKXYFHJMLT-MYPMTAMASA-N 1 3 318.421 0.870 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263056 769884956 /nfs/dbraw/zinc/88/49/56/769884956.db2.gz NUZKAGZGIJZOOB-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO Cn1cccc1C(=O)N[C@@H]1CN(CCCC[NH3+])[C@@H]2COC[C@H]12 ZINC001235610283 769908308 /nfs/dbraw/zinc/90/83/08/769908308.db2.gz AHAQVJAOTZRZDH-UMVBOHGHSA-N 1 3 306.410 0.193 20 0 DCADHO COC(=O)[C@H]1CN(C[C@H]2[C@H](C)CNCC2(F)F)CC[C@@H]1[NH3+] ZINC001236411688 770010659 /nfs/dbraw/zinc/01/06/59/770010659.db2.gz PHJYESNWQXJLOF-RHYQMDGZSA-N 1 3 305.369 0.299 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001176169643 770042008 /nfs/dbraw/zinc/04/20/08/770042008.db2.gz NHUVTUUDVQYORT-ZDUSSCGKSA-N 1 3 324.425 0.547 20 0 DCADHO C[NH+](C)CCn1cc([N-]S(=O)(=O)CC2CC[NH2+]CC2)cn1 ZINC001237471744 770044277 /nfs/dbraw/zinc/04/42/77/770044277.db2.gz NIFZEKVRIOKOMJ-UHFFFAOYSA-N 1 3 315.443 0.186 20 0 DCADHO NCCS(=O)(=O)NCC1(c2ccccc2F)CC[NH2+]CC1 ZINC001238862102 770138397 /nfs/dbraw/zinc/13/83/97/770138397.db2.gz QOWJMUNEJSTPEE-UHFFFAOYSA-N 1 3 315.414 0.325 20 0 DCADHO COc1ccc(F)c(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238879800 770141703 /nfs/dbraw/zinc/14/17/03/770141703.db2.gz WRJXOAPGHYAHQP-UHFFFAOYSA-N 1 3 319.402 0.441 20 0 DCADHO CCOC(=O)CCNC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217901 770199113 /nfs/dbraw/zinc/19/91/13/770199113.db2.gz VSIYQZFIVYEMNH-LBPRGKRZSA-N 1 3 312.414 0.113 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226385 770440437 /nfs/dbraw/zinc/44/04/37/770440437.db2.gz KIUXKUBUDPUXPJ-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226385 770440440 /nfs/dbraw/zinc/44/04/40/770440440.db2.gz KIUXKUBUDPUXPJ-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155789929 770616916 /nfs/dbraw/zinc/61/69/16/770616916.db2.gz IBFRJJDNWXDJPG-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO COC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150793298 770700055 /nfs/dbraw/zinc/70/00/55/770700055.db2.gz DWQWLLKBTGCIGQ-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO COC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150793298 770700061 /nfs/dbraw/zinc/70/00/61/770700061.db2.gz DWQWLLKBTGCIGQ-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178355785 770730496 /nfs/dbraw/zinc/73/04/96/770730496.db2.gz CCQAVTHKIUATEU-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178355946 770730581 /nfs/dbraw/zinc/73/05/81/770730581.db2.gz DSZUPFDGNXITKJ-MELADBBJSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H]([NH2+]CCCCCCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001178702602 770844420 /nfs/dbraw/zinc/84/44/20/770844420.db2.gz SYWHHAPFPNTJRZ-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C)N(C)C ZINC001178985244 770922569 /nfs/dbraw/zinc/92/25/69/770922569.db2.gz AIXRYLGEJCFAKV-ZOBORPQBSA-N 1 3 312.458 0.382 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179430774 771003034 /nfs/dbraw/zinc/00/30/34/771003034.db2.gz DZXALSZUPVBUPX-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CCC[NH+](C)C ZINC001179434918 771004024 /nfs/dbraw/zinc/00/40/24/771004024.db2.gz DHMQUICWYBZCIZ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179409188 771007038 /nfs/dbraw/zinc/00/70/38/771007038.db2.gz IINPZDIOPKXFAD-AJNGGQMLSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179409188 771007047 /nfs/dbraw/zinc/00/70/47/771007047.db2.gz IINPZDIOPKXFAD-AJNGGQMLSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C ZINC001179744004 771009649 /nfs/dbraw/zinc/00/96/49/771009649.db2.gz CBJZREVMDHFXHW-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H]([NH2+]CCCCCCNC(=O)CN(CC)CC)C(N)=O ZINC001179851041 771023251 /nfs/dbraw/zinc/02/32/51/771023251.db2.gz SVHSNMJIDOWCOA-AWEZNQCLSA-N 1 3 314.474 0.858 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)[C@@H]1C ZINC001179982962 771043379 /nfs/dbraw/zinc/04/33/79/771043379.db2.gz JCERLBRXKSKWGN-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204471 771073725 /nfs/dbraw/zinc/07/37/25/771073725.db2.gz TXTLGWXRIDNNRN-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001181652237 771327194 /nfs/dbraw/zinc/32/71/94/771327194.db2.gz KUAKITUOPWJCEP-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001182677222 771526772 /nfs/dbraw/zinc/52/67/72/771526772.db2.gz XLOLHAFCVMEPQM-BPLDGKMQSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001182677222 771526777 /nfs/dbraw/zinc/52/67/77/771526777.db2.gz XLOLHAFCVMEPQM-BPLDGKMQSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267275 771630742 /nfs/dbraw/zinc/63/07/42/771630742.db2.gz LQTSSCQPGWAJDC-UKRRQHHQSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCC2CC2)C1)C1CC1 ZINC001183267896 771630806 /nfs/dbraw/zinc/63/08/06/771630806.db2.gz PXCYRCOUAOYZNW-HZPDHXFCSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289052 771632585 /nfs/dbraw/zinc/63/25/85/771632585.db2.gz QQGKQMLAJHIKCN-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO COc1ccccc1[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001157579313 771635508 /nfs/dbraw/zinc/63/55/08/771635508.db2.gz LMCAMHFFVRWAEF-ZFWWWQNUSA-N 1 3 315.417 0.820 20 0 DCADHO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157679753 771653385 /nfs/dbraw/zinc/65/33/85/771653385.db2.gz ZIXFYEFAMNJWRT-MRXNPFEDSA-N 1 3 319.405 0.743 20 0 DCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)c1csc([C@@H]2CCCN2)n1 ZINC001157721416 771658540 /nfs/dbraw/zinc/65/85/40/771658540.db2.gz XOVFJJFJMIAFGR-MNOVXSKESA-N 1 3 310.423 0.628 20 0 DCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@]1(N)CCc2cc(F)ccc2C1 ZINC001157720566 771658560 /nfs/dbraw/zinc/65/85/60/771658560.db2.gz LVYPWOQFZOOUNP-NVXWUHKLSA-N 1 3 321.396 0.459 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183648731 771675589 /nfs/dbraw/zinc/67/55/89/771675589.db2.gz YLMSKKJGZVUGOW-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001183765680 771698844 /nfs/dbraw/zinc/69/88/44/771698844.db2.gz ZNDIINQTTFKEHC-TZMCWYRMSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001183765680 771698846 /nfs/dbraw/zinc/69/88/46/771698846.db2.gz ZNDIINQTTFKEHC-TZMCWYRMSA-N 1 3 324.469 0.574 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(COc2cccnc2)CC1 ZINC001157951915 771700751 /nfs/dbraw/zinc/70/07/51/771700751.db2.gz HKTJZVMNROLEAZ-HNNXBMFYSA-N 1 3 306.410 0.765 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158039705 771717805 /nfs/dbraw/zinc/71/78/05/771717805.db2.gz TZJMXDFSWVYEFZ-UONOGXRCSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158039705 771717807 /nfs/dbraw/zinc/71/78/07/771717807.db2.gz TZJMXDFSWVYEFZ-UONOGXRCSA-N 1 3 320.441 0.285 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160916 771731564 /nfs/dbraw/zinc/73/15/64/771731564.db2.gz LQEITQNXWZTFSC-GOEBONIOSA-N 1 3 310.442 0.365 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161914 771732642 /nfs/dbraw/zinc/73/26/42/771732642.db2.gz SHCGHJGBCFSUGY-XJKSGUPXSA-N 1 3 310.442 0.221 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC001158187456 771736467 /nfs/dbraw/zinc/73/64/67/771736467.db2.gz QNHPXQSMDSQTPR-GULBITTBSA-N 1 3 303.406 0.905 20 0 DCADHO Cc1oncc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197180 771738765 /nfs/dbraw/zinc/73/87/65/771738765.db2.gz SCAOQRHWTXAEFD-OAHLLOKOSA-N 1 3 306.410 0.921 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196856 771738879 /nfs/dbraw/zinc/73/88/79/771738879.db2.gz PAXQTCQXIFAXNF-AWEZNQCLSA-N 1 3 305.426 0.358 20 0 DCADHO [NH3+][C@@H]1CCN(C2CCN(c3ncnc4c3CCNC4)CC2)C1 ZINC001158258875 771748366 /nfs/dbraw/zinc/74/83/66/771748366.db2.gz KYLKFZQZGBYKBU-GFCCVEGCSA-N 1 3 302.426 0.124 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158328178 771760519 /nfs/dbraw/zinc/76/05/19/771760519.db2.gz VVCIXBNXNMOZKR-SOUVJXGZSA-N 1 3 317.389 0.365 20 0 DCADHO CO[C@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)C1 ZINC001158334975 771761415 /nfs/dbraw/zinc/76/14/15/771761415.db2.gz KBAUQDTWIRWPHU-QMCVQRASSA-N 1 3 315.417 0.851 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CNCc4ccnn4C3)C[C@@H]2CF)CC1 ZINC001158569362 771791413 /nfs/dbraw/zinc/79/14/13/771791413.db2.gz YIDGKCJXKXXGJW-SGMGOOAPSA-N 1 3 321.400 0.138 20 0 DCADHO N[C@H](C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1)C1CCC(O)CC1 ZINC001158576247 771792026 /nfs/dbraw/zinc/79/20/26/771792026.db2.gz AUIPSYCXFQFENH-NMHYENAYSA-N 1 3 313.417 0.400 20 0 DCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@@H](F)CCN2)C1 ZINC001159134749 771864905 /nfs/dbraw/zinc/86/49/05/771864905.db2.gz OXTBPIZXEGYDMJ-RDBSUJKOSA-N 1 3 323.416 0.493 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185158716 771870900 /nfs/dbraw/zinc/87/09/00/771870900.db2.gz VHIXGYQICSXCGI-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158716 771870902 /nfs/dbraw/zinc/87/09/02/771870902.db2.gz VHIXGYQICSXCGI-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185264249 771894156 /nfs/dbraw/zinc/89/41/56/771894156.db2.gz DFHWXHYFVPTQCR-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CCC2)C1 ZINC001185385863 771910179 /nfs/dbraw/zinc/91/01/79/771910179.db2.gz VZZRNZVLXKKZPJ-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185651338 771939850 /nfs/dbraw/zinc/93/98/50/771939850.db2.gz YKCINCUVLFOIQM-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185651338 771939854 /nfs/dbraw/zinc/93/98/54/771939854.db2.gz YKCINCUVLFOIQM-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001185650775 771940282 /nfs/dbraw/zinc/94/02/82/771940282.db2.gz MVMFBXZIGRKPBM-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001185659929 771941586 /nfs/dbraw/zinc/94/15/86/771941586.db2.gz TXGSXYKKLLPXLJ-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]21 ZINC001159783247 771957526 /nfs/dbraw/zinc/95/75/26/771957526.db2.gz UWODSTNYODDCOR-SOUVJXGZSA-N 1 3 324.469 0.548 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001159855007 771969097 /nfs/dbraw/zinc/96/90/97/771969097.db2.gz ZQCJXVSPHZLTHU-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1nccnc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159861286 771969939 /nfs/dbraw/zinc/96/99/39/771969939.db2.gz LCEDILJYISSWRR-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)n1 ZINC001159917515 771977490 /nfs/dbraw/zinc/97/74/90/771977490.db2.gz YKHSHLINHWURAC-HNNXBMFYSA-N 1 3 322.457 0.331 20 0 DCADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](CCCO)CC1)C1CC1 ZINC001160367975 772029476 /nfs/dbraw/zinc/02/94/76/772029476.db2.gz WWIXLNGCDQCHPK-INIZCTEOSA-N 1 3 309.454 0.847 20 0 DCADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCCO)CC1)C1CC1 ZINC001160367975 772029479 /nfs/dbraw/zinc/02/94/79/772029479.db2.gz WWIXLNGCDQCHPK-INIZCTEOSA-N 1 3 309.454 0.847 20 0 DCADHO CC(=O)N1CCCC[C@@]12CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160421186 772034762 /nfs/dbraw/zinc/03/47/62/772034762.db2.gz AWSIKDKYMMJHOX-RDJZCZTQSA-N 1 3 322.453 0.317 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001160449019 772041471 /nfs/dbraw/zinc/04/14/71/772041471.db2.gz TTYPAQIEKWFBKQ-ZIAGYGMSSA-N 1 3 310.442 0.304 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186459551 772047664 /nfs/dbraw/zinc/04/76/64/772047664.db2.gz XLGHYONNFAMWNA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC001160513911 772055704 /nfs/dbraw/zinc/05/57/04/772055704.db2.gz KGFQAFSMPHGGMJ-OAHLLOKOSA-N 1 3 319.405 0.787 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@H](c2ccccc2)C1 ZINC001160529986 772059354 /nfs/dbraw/zinc/05/93/54/772059354.db2.gz DHZLUIVQMMHYIU-GJZGRUSLSA-N 1 3 301.390 0.396 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001160674984 772091950 /nfs/dbraw/zinc/09/19/50/772091950.db2.gz YMFXISHZKZXVOX-CQSZACIVSA-N 1 3 316.409 0.278 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)CC[NH+]1CCCC1 ZINC001160689416 772094748 /nfs/dbraw/zinc/09/47/48/772094748.db2.gz WHPSACJVORYRFP-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160755603 772107391 /nfs/dbraw/zinc/10/73/91/772107391.db2.gz LGQCTVCOJPHXHH-AWEZNQCLSA-N 1 3 320.437 0.774 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161011708 772149494 /nfs/dbraw/zinc/14/94/94/772149494.db2.gz XQJDTVRCZSHLPK-OAHLLOKOSA-N 1 3 301.390 0.619 20 0 DCADHO NC(=S)C1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001161030733 772154438 /nfs/dbraw/zinc/15/44/38/772154438.db2.gz GNPNLLZPBZQRBQ-LBPRGKRZSA-N 1 3 310.467 0.385 20 0 DCADHO NC(=S)C1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001161030733 772154443 /nfs/dbraw/zinc/15/44/43/772154443.db2.gz GNPNLLZPBZQRBQ-LBPRGKRZSA-N 1 3 310.467 0.385 20 0 DCADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001161083763 772163920 /nfs/dbraw/zinc/16/39/20/772163920.db2.gz CAQDKENOMONAHJ-SOUVJXGZSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001187322190 772165725 /nfs/dbraw/zinc/16/57/25/772165725.db2.gz MZKKDFNBAMMOFN-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC1(C)OCCC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001161239481 772188451 /nfs/dbraw/zinc/18/84/51/772188451.db2.gz MLZYWOXLAIORLY-RDTXWAMCSA-N 1 3 321.465 0.993 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161413013 772219504 /nfs/dbraw/zinc/21/95/04/772219504.db2.gz NJNGEJCKXIPGGX-QAETUUGQSA-N 1 3 317.433 0.987 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843219 772232897 /nfs/dbraw/zinc/23/28/97/772232897.db2.gz XTCSJZPVNNBIHT-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001187841485 772232929 /nfs/dbraw/zinc/23/29/29/772232929.db2.gz BXBSLZIUJCVFRH-OLZOCXBDSA-N 1 3 317.380 0.697 20 0 DCADHO CCC(CC)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842065 772233246 /nfs/dbraw/zinc/23/32/46/772233246.db2.gz JVEDXGSLTOAIMT-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCOC(=O)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C[C@H]1C ZINC001161499574 772235564 /nfs/dbraw/zinc/23/55/64/772235564.db2.gz LFVSXNYKRAPNLI-RDBSUJKOSA-N 1 3 323.437 0.233 20 0 DCADHO CCOC(=O)C[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1C ZINC001161499169 772235578 /nfs/dbraw/zinc/23/55/78/772235578.db2.gz INSCSIPKAOZTCA-RDBSUJKOSA-N 1 3 313.442 0.881 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001188106368 772266372 /nfs/dbraw/zinc/26/63/72/772266372.db2.gz IDESIYNMHDVUFZ-MRXNPFEDSA-N 1 3 319.453 0.987 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001188158499 772277178 /nfs/dbraw/zinc/27/71/78/772277178.db2.gz QMNGOEKSADXUBO-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO O=C(NCCCNCc1cnns1)C12CCC[NH+]1CCC2 ZINC001161795404 772283984 /nfs/dbraw/zinc/28/39/84/772283984.db2.gz GCJKNFINIQSZHG-UHFFFAOYSA-N 1 3 309.439 0.762 20 0 DCADHO COC(=O)c1cc2c(ncnc2NCCN2CCC([NH3+])CC2)[nH]1 ZINC001161867700 772291896 /nfs/dbraw/zinc/29/18/96/772291896.db2.gz XCPMNGISHPRTAF-UHFFFAOYSA-N 1 3 318.381 0.580 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(CNC)ncn1 ZINC001162730596 772412510 /nfs/dbraw/zinc/41/25/10/772412510.db2.gz PEGUJMFRVWAZJS-CYBMUJFWSA-N 1 3 309.414 0.739 20 0 DCADHO CN1CCC[C@H]1C(=O)N(CC[NH2+]CCO)CCc1ccccc1 ZINC001162746962 772415182 /nfs/dbraw/zinc/41/51/82/772415182.db2.gz KKKNPRIKHMWJOI-KRWDZBQOSA-N 1 3 319.449 0.734 20 0 DCADHO c1cc2c(nc1NCc1nnn3c1C[NH2+]CCC3)OCCNC2 ZINC001162973298 772438232 /nfs/dbraw/zinc/43/82/32/772438232.db2.gz OZTOOQPYQBVNNT-UHFFFAOYSA-N 1 3 315.381 0.261 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cc(N2CCOCC2)ncn1 ZINC001163122355 772467946 /nfs/dbraw/zinc/46/79/46/772467946.db2.gz GXZBZRNAMIJUQV-UHFFFAOYSA-N 1 3 321.429 0.591 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1ccc2c(n1)OCC(=O)N2 ZINC001163125371 772468156 /nfs/dbraw/zinc/46/81/56/772468156.db2.gz BDUCMFYSBZUKBU-UHFFFAOYSA-N 1 3 306.370 0.691 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnc(N(C)C)nc1 ZINC001189858545 772544148 /nfs/dbraw/zinc/54/41/48/772544148.db2.gz DSZVBTXEQAMVQA-UHFFFAOYSA-N 1 3 307.402 0.220 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC001190996737 772712607 /nfs/dbraw/zinc/71/26/07/772712607.db2.gz IOTSOPBZNRAAFP-CQSZACIVSA-N 1 3 322.457 0.541 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC001190996737 772712612 /nfs/dbraw/zinc/71/26/12/772712612.db2.gz IOTSOPBZNRAAFP-CQSZACIVSA-N 1 3 322.457 0.541 20 0 DCADHO COc1nccc(CNCCCNC(=O)CCC[NH+](C)C)n1 ZINC001165367327 772729342 /nfs/dbraw/zinc/72/93/42/772729342.db2.gz SBLNCLYTAJCFJO-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165492577 772742971 /nfs/dbraw/zinc/74/29/71/772742971.db2.gz VIWLYCPWOPRSKH-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001165809709 772764136 /nfs/dbraw/zinc/76/41/36/772764136.db2.gz LSIYRCLVXLAMNX-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001166004045 772778206 /nfs/dbraw/zinc/77/82/06/772778206.db2.gz CWHRAZMQYDAPAR-CQSZACIVSA-N 1 3 323.441 0.667 20 0 DCADHO Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001166408007 772808571 /nfs/dbraw/zinc/80/85/71/772808571.db2.gz GAXJKBVMCALDGF-CYBMUJFWSA-N 1 3 316.409 0.859 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(=O)NC1CC1 ZINC001166626408 772830269 /nfs/dbraw/zinc/83/02/69/772830269.db2.gz FTGQOJAWXNMFLM-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001166634471 772831847 /nfs/dbraw/zinc/83/18/47/772831847.db2.gz SXNDYJPNGJPXQH-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001166646160 772834769 /nfs/dbraw/zinc/83/47/69/772834769.db2.gz ZUYTXYPNSWHRJM-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001166764414 772857048 /nfs/dbraw/zinc/85/70/48/772857048.db2.gz BKYSOYFGHDCNNF-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CN1CCC[C@H]([NH2+]CCCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001166764392 772857382 /nfs/dbraw/zinc/85/73/82/772857382.db2.gz AJMVHPLHKIFCBO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001167043344 772901244 /nfs/dbraw/zinc/90/12/44/772901244.db2.gz ARTIQBCTDMLOLQ-QWHCGFSZSA-N 1 3 312.458 0.323 20 0 DCADHO O=C(CN1CCCC1)N1CCC([NH2+]CCOCC(F)F)CC1 ZINC001203709514 772920688 /nfs/dbraw/zinc/92/06/88/772920688.db2.gz VBQKTEUSFZTEIG-UHFFFAOYSA-N 1 3 319.396 0.945 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(=O)NC1CC1 ZINC001203714239 772920796 /nfs/dbraw/zinc/92/07/96/772920796.db2.gz JCNSHSKXKQITES-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001203925320 772929875 /nfs/dbraw/zinc/92/98/75/772929875.db2.gz MOZQUUFHXWKJFG-UHFFFAOYSA-N 1 3 308.430 0.199 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCOCCOC)C1 ZINC001192970684 772989420 /nfs/dbraw/zinc/98/94/20/772989420.db2.gz XBQXGORFCRTRPA-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCOC)C1 ZINC001192970684 772989424 /nfs/dbraw/zinc/98/94/24/772989424.db2.gz XBQXGORFCRTRPA-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193016202 772996353 /nfs/dbraw/zinc/99/63/53/772996353.db2.gz UTFQIALKOBDYCX-KRJKFKNKSA-N 1 3 321.465 0.846 20 0 DCADHO COCCN(C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193076953 773001053 /nfs/dbraw/zinc/00/10/53/773001053.db2.gz FCWSJOOKSPRWGZ-CQSZACIVSA-N 1 3 313.442 0.276 20 0 DCADHO CN(CCOCCO)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561130 773084439 /nfs/dbraw/zinc/08/44/39/773084439.db2.gz WCDUSLOCNCFPPC-OAHLLOKOSA-N 1 3 315.458 0.260 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001206890427 773122110 /nfs/dbraw/zinc/12/21/10/773122110.db2.gz RGWMDJHEAYXREV-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCn2cccn2)CC1 ZINC001206929225 773137699 /nfs/dbraw/zinc/13/76/99/773137699.db2.gz ZVEZBNKGTDZUQY-UHFFFAOYSA-N 1 3 319.453 0.807 20 0 DCADHO C[NH+]1CCC(CCN2CCN(CCN3CCOCC3)CC2)CC1 ZINC001207484469 773217170 /nfs/dbraw/zinc/21/71/70/773217170.db2.gz LQPJPBVZWPABEQ-UHFFFAOYSA-N 1 3 324.513 0.668 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1)N(C)C ZINC001208373170 773445246 /nfs/dbraw/zinc/44/52/46/773445246.db2.gz HFWWABUJQLNYCQ-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448215 773464968 /nfs/dbraw/zinc/46/49/68/773464968.db2.gz XBKOGUQNUJXXDA-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001208453693 773465745 /nfs/dbraw/zinc/46/57/45/773465745.db2.gz NDNUTUTWZUIBIX-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001208453693 773465749 /nfs/dbraw/zinc/46/57/49/773465749.db2.gz NDNUTUTWZUIBIX-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496366 773479762 /nfs/dbraw/zinc/47/97/62/773479762.db2.gz QQMPSCLRMAHPHU-HZSPNIEDSA-N 1 3 320.441 0.154 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1O ZINC001195859229 773486500 /nfs/dbraw/zinc/48/65/00/773486500.db2.gz GZOZWDZKSVUDOD-HZPDHXFCSA-N 1 3 305.422 0.342 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(C[C@H](C)C(=O)OC)CC[C@@H]2C1 ZINC001208713374 773517480 /nfs/dbraw/zinc/51/74/80/773517480.db2.gz DKMWEPLSWZDNRD-RRFJBIMHSA-N 1 3 314.426 0.465 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(C[C@H](C)C(=O)OC)CC[C@@H]2C1 ZINC001208713374 773517485 /nfs/dbraw/zinc/51/74/85/773517485.db2.gz DKMWEPLSWZDNRD-RRFJBIMHSA-N 1 3 314.426 0.465 20 0 DCADHO CC(=O)N1CCC[C@@H](C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)C1 ZINC001208981791 773547327 /nfs/dbraw/zinc/54/73/27/773547327.db2.gz LGBBIUKRRJCUQS-INIZCTEOSA-N 1 3 324.469 0.341 20 0 DCADHO CC(=O)N1CCC[C@@H](C[N@H+]2CCC(=O)N(CCN(C)C)CC2)C1 ZINC001208981791 773547331 /nfs/dbraw/zinc/54/73/31/773547331.db2.gz LGBBIUKRRJCUQS-INIZCTEOSA-N 1 3 324.469 0.341 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209276674 773580494 /nfs/dbraw/zinc/58/04/94/773580494.db2.gz BDNQSZIVUQVCJO-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304178 773587661 /nfs/dbraw/zinc/58/76/61/773587661.db2.gz NYNYDWCHRBFRCU-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001209312928 773588830 /nfs/dbraw/zinc/58/88/30/773588830.db2.gz BKLIOHMQIXVXSM-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001209323524 773591348 /nfs/dbraw/zinc/59/13/48/773591348.db2.gz JEUXYUWRWWLKIX-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1C[C@@H]2C[N@@H+](CC3=C4CCOC(=O)C4=CN[C@H]3C)C[C@@H]2C1 ZINC001209347524 773597923 /nfs/dbraw/zinc/59/79/23/773597923.db2.gz UBKLBJGHULNLKN-MELADBBJSA-N 1 3 317.433 0.989 20 0 DCADHO CCN1C[C@@H]2C[N@H+](CC3=C4CCOC(=O)C4=CN[C@H]3C)C[C@@H]2C1 ZINC001209347524 773597928 /nfs/dbraw/zinc/59/79/28/773597928.db2.gz UBKLBJGHULNLKN-MELADBBJSA-N 1 3 317.433 0.989 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC2CCC2)C1 ZINC001209420804 773603614 /nfs/dbraw/zinc/60/36/14/773603614.db2.gz WUHHOXKTZKATLY-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCc1nc([C@@H](C)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209455464 773607291 /nfs/dbraw/zinc/60/72/91/773607291.db2.gz SVUZRGGGZSZIDG-CHWSQXEVSA-N 1 3 322.457 0.960 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209632261 773627530 /nfs/dbraw/zinc/62/75/30/773627530.db2.gz LUXQWJOTINZEFL-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643696 773629200 /nfs/dbraw/zinc/62/92/00/773629200.db2.gz VMGNXQSVAKJSIF-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001209837696 773652071 /nfs/dbraw/zinc/65/20/71/773652071.db2.gz RFACRIWKWOCPBA-CYBMUJFWSA-N 1 3 319.409 0.059 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952352 773661879 /nfs/dbraw/zinc/66/18/79/773661879.db2.gz PSVPDKAQPWSBBP-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952352 773661885 /nfs/dbraw/zinc/66/18/85/773661885.db2.gz PSVPDKAQPWSBBP-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[C@H](N[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001210744610 773734376 /nfs/dbraw/zinc/73/43/76/773734376.db2.gz SIUFRNDSAHGMKU-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211032184 773761309 /nfs/dbraw/zinc/76/13/09/773761309.db2.gz UUAVJBFYBZISKX-VNQPRFMTSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211032184 773761310 /nfs/dbraw/zinc/76/13/10/773761310.db2.gz UUAVJBFYBZISKX-VNQPRFMTSA-N 1 3 309.454 0.801 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001211268929 773788108 /nfs/dbraw/zinc/78/81/08/773788108.db2.gz MCUUKCDMGPUCIX-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001211277778 773789349 /nfs/dbraw/zinc/78/93/49/773789349.db2.gz OMDVUXZOKBTDGK-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001211282870 773789712 /nfs/dbraw/zinc/78/97/12/773789712.db2.gz DUXKBFBGWLKJOA-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO COCCCN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833150 773804764 /nfs/dbraw/zinc/80/47/64/773804764.db2.gz SHAILASIYCGOID-UHFFFAOYSA-N 1 3 301.431 0.135 20 0 DCADHO COC[C@@H](O)CN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885545 773817048 /nfs/dbraw/zinc/81/70/48/773817048.db2.gz HHVHCNCVCATQIP-HNNXBMFYSA-N 1 3 315.458 0.260 20 0 DCADHO CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)OC ZINC001197949588 773827920 /nfs/dbraw/zinc/82/79/20/773827920.db2.gz SSLKZHNKNDLBBO-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036198 774035851 /nfs/dbraw/zinc/03/58/51/774035851.db2.gz RAJQTPPQVKMZOD-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001215036198 774035858 /nfs/dbraw/zinc/03/58/58/774035858.db2.gz RAJQTPPQVKMZOD-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CCc1nc([C@H](C)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001215463320 774074428 /nfs/dbraw/zinc/07/44/28/774074428.db2.gz RGEOTBIDWHMWRL-FRRDWIJNSA-N 1 3 322.457 0.816 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC001203932615 774082305 /nfs/dbraw/zinc/08/23/05/774082305.db2.gz LKFMLPDEYHYZSZ-CYBMUJFWSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)c1cnccc1N1CCN(C)CC1 ZINC001199361795 774096944 /nfs/dbraw/zinc/09/69/44/774096944.db2.gz WNYWRFASKDNFGG-CYBMUJFWSA-N 1 3 305.426 0.513 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001216507333 774120490 /nfs/dbraw/zinc/12/04/90/774120490.db2.gz WAYOZTZMHLHENN-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001216507333 774120495 /nfs/dbraw/zinc/12/04/95/774120495.db2.gz WAYOZTZMHLHENN-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001216965705 774148028 /nfs/dbraw/zinc/14/80/28/774148028.db2.gz YQKIOLYYFQHVKC-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)N(C)C ZINC001199788720 774199577 /nfs/dbraw/zinc/19/95/77/774199577.db2.gz YFRIWGVSCVPLDP-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1noc2nc(O[C@H]3COC4(C[NH2+]C4)C3)c3c(c12)CCNC3 ZINC001218058659 774211040 /nfs/dbraw/zinc/21/10/40/774211040.db2.gz MLBNLRIBPWDLRL-SNVBAGLBSA-N 1 3 316.361 0.687 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199826358 774218961 /nfs/dbraw/zinc/21/89/61/774218961.db2.gz JZOHAJIDJSHPKS-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2CCC[NH2+]C2)c1 ZINC001218288361 774220093 /nfs/dbraw/zinc/22/00/93/774220093.db2.gz UUUBPZAUZXLLTG-STQMWFEESA-N 1 3 307.394 0.481 20 0 DCADHO CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218512741 774233291 /nfs/dbraw/zinc/23/32/91/774233291.db2.gz RSBJNLVRMUCQOK-NSHDSACASA-N 1 3 309.370 0.160 20 0 DCADHO COc1nc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc2cccnc21 ZINC001218522993 774235925 /nfs/dbraw/zinc/23/59/25/774235925.db2.gz CLKXOGKHFFWKJT-NSHDSACASA-N 1 3 313.361 0.386 20 0 DCADHO CO[C@@H]1CCN[C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC001218532445 774239200 /nfs/dbraw/zinc/23/92/00/774239200.db2.gz FLXRXXLEUZYLSC-NGZCFLSTSA-N 1 3 310.423 0.665 20 0 DCADHO N[C@H](C(=O)Nc1cnc2ccc(Cl)nn12)C1CC[NH2+]CC1 ZINC001218568956 774250767 /nfs/dbraw/zinc/25/07/67/774250767.db2.gz WUDYIFOCTBWQKU-LBPRGKRZSA-N 1 3 308.773 0.648 20 0 DCADHO COC(=O)c1cc(C)cnc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218578462 774254741 /nfs/dbraw/zinc/25/47/41/774254741.db2.gz JKNWBMOLEZDGAU-LBPRGKRZSA-N 1 3 306.366 0.442 20 0 DCADHO COC(=O)c1cc2cc(NC(=O)[C@@H](N)CCCC[NH3+])c[nH]c-2n1 ZINC001218671431 774278676 /nfs/dbraw/zinc/27/86/76/774278676.db2.gz UCHMRBBVNMYNQS-NSHDSACASA-N 1 3 319.365 0.744 20 0 DCADHO O=C(Nc1c[nH]c(=O)c(C(F)(F)F)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218690279 774280746 /nfs/dbraw/zinc/28/07/46/774280746.db2.gz JQTXKBFVBPTFBH-SECBINFHSA-N 1 3 316.283 0.554 20 0 DCADHO Nc1cccnc1N(C(=O)[C@@H]1CNC[C@H](F)C1)C1CC[NH2+]CC1 ZINC001218694706 774281335 /nfs/dbraw/zinc/28/13/35/774281335.db2.gz CXTSQUNIODIRMB-NWDGAFQWSA-N 1 3 321.400 0.696 20 0 DCADHO COC[C@@H](C)Oc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)[nH]n1 ZINC001218720959 774288527 /nfs/dbraw/zinc/28/85/27/774288527.db2.gz QJIBEFRHMQAVKI-NOZJJQNGSA-N 1 3 311.386 0.089 20 0 DCADHO COC(=O)/C=C/c1ccc(NC(=O)[C@@H](N)CCCC[NH3+])nc1 ZINC001218803723 774306092 /nfs/dbraw/zinc/30/60/92/774306092.db2.gz XLNUHMLJUKECGJ-WMADIVHISA-N 1 3 306.366 0.663 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972713 774337889 /nfs/dbraw/zinc/33/78/89/774337889.db2.gz QOKOUNWMUXWKGV-QWRGUYRKSA-N 1 3 304.394 0.815 20 0 DCADHO O=C(Nc1cccc2c1CNC2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001218994001 774344196 /nfs/dbraw/zinc/34/41/96/774344196.db2.gz ZIGNXTKIJFDISJ-UHFFFAOYSA-N 1 3 324.388 0.742 20 0 DCADHO CN(CC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1)C1CCC1 ZINC001200705000 774395276 /nfs/dbraw/zinc/39/52/76/774395276.db2.gz SFBQOKIRDKXVTJ-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO COc1cnc2c(cccc2NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219180539 774401420 /nfs/dbraw/zinc/40/14/20/774401420.db2.gz YTQWGHHCROHKQS-CYBMUJFWSA-N 1 3 312.373 0.991 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCCO1 ZINC001200738218 774404464 /nfs/dbraw/zinc/40/44/64/774404464.db2.gz VWJMKEHXIGNXJA-GJZGRUSLSA-N 1 3 315.458 0.426 20 0 DCADHO O=C(Nc1cccc2c1NC(=O)NC2)[C@H]1C[NH2+]CC12CNC2 ZINC001219335337 774452995 /nfs/dbraw/zinc/45/29/95/774452995.db2.gz XHUAJNXKTTYZJP-SNVBAGLBSA-N 1 3 301.350 0.069 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001115162841 774453312 /nfs/dbraw/zinc/45/33/12/774453312.db2.gz ZGORFDCPAVYKKD-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001115162841 774453315 /nfs/dbraw/zinc/45/33/15/774453315.db2.gz ZGORFDCPAVYKKD-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO CN1c2ccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2CNC1=O ZINC001219335224 774453354 /nfs/dbraw/zinc/45/33/54/774453354.db2.gz VJIUQKKSPZYIFU-CQSZACIVSA-N 1 3 317.393 0.611 20 0 DCADHO CC1(C)c2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc2CNC1=O ZINC001219336437 774454427 /nfs/dbraw/zinc/45/44/27/774454427.db2.gz LHUHIIMDQABHLB-ZDUSSCGKSA-N 1 3 304.394 0.599 20 0 DCADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001219386868 774474204 /nfs/dbraw/zinc/47/42/04/774474204.db2.gz URQBBEQNZNASBM-LBPRGKRZSA-N 1 3 317.349 0.053 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC001201321501 774487687 /nfs/dbraw/zinc/48/76/87/774487687.db2.gz NVZBZCMJMKGPFF-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)cn1 ZINC001219642157 774569967 /nfs/dbraw/zinc/56/99/67/774569967.db2.gz PLUKNCHJDIALCY-DYEKYZERSA-N 1 3 306.410 0.842 20 0 DCADHO Cc1cc(C)c(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(=O)[nH]1 ZINC001219689463 774580430 /nfs/dbraw/zinc/58/04/30/774580430.db2.gz URMZENUSUZTONV-MLGOLLRUSA-N 1 3 304.394 0.219 20 0 DCADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CNCc2ccnn2C1 ZINC001219772983 774603011 /nfs/dbraw/zinc/60/30/11/774603011.db2.gz JACDBWUCOWBVPR-GFCCVEGCSA-N 1 3 303.410 0.251 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162867 774610016 /nfs/dbraw/zinc/61/00/16/774610016.db2.gz AUVGUQRBVNINPD-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001202353694 774640229 /nfs/dbraw/zinc/64/02/29/774640229.db2.gz RFGXVTUDDYUDQI-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO COc1cc(CCNC(=O)[C@@H](N)CCCC[NH3+])cc(OC)c1 ZINC001219907869 774643494 /nfs/dbraw/zinc/64/34/94/774643494.db2.gz IAKSBAAAYXBRDP-HNNXBMFYSA-N 1 3 309.410 0.819 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1[NH2+]CC[C@H]1O ZINC001219998745 774664766 /nfs/dbraw/zinc/66/47/66/774664766.db2.gz AKZIVJTVDUZWTM-OAGGEKHMSA-N 1 3 303.406 0.663 20 0 DCADHO O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220004887 774667172 /nfs/dbraw/zinc/66/71/72/774667172.db2.gz IFJGOVHIRFPXLD-CYBMUJFWSA-N 1 3 313.361 0.162 20 0 DCADHO Cn1cc2cccc(CNC(=O)[C@@H](N)C3CC[NH2+]CC3)c2n1 ZINC001220143876 774706473 /nfs/dbraw/zinc/70/64/73/774706473.db2.gz YXLWDHHZZZBKES-AWEZNQCLSA-N 1 3 301.394 0.516 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202496534 774728020 /nfs/dbraw/zinc/72/80/20/774728020.db2.gz UVFOJEWNNRJFFG-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCn1nnc2ccccc21 ZINC001220272764 774752100 /nfs/dbraw/zinc/75/21/00/774752100.db2.gz MGEDFWVDZHZYFM-ZDUSSCGKSA-N 1 3 318.425 0.607 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220275206 774753631 /nfs/dbraw/zinc/75/36/31/774753631.db2.gz RPTYQGXKFVPJNF-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO O=C(NCc1ncn2c1CNCCC2)C1CCC2(C[NH2+]C2)CC1 ZINC001220312000 774767012 /nfs/dbraw/zinc/76/70/12/774767012.db2.gz VQHRJSQFMVRRKQ-UHFFFAOYSA-N 1 3 317.437 0.772 20 0 DCADHO Cn1cc(CCNC(=O)[C@@H](N)CSCC[NH3+])c2ccccc21 ZINC001220326281 774772958 /nfs/dbraw/zinc/77/29/58/774772958.db2.gz QLLAVHFMJBCFQU-AWEZNQCLSA-N 1 3 320.462 0.856 20 0 DCADHO Cc1[nH]c(=O)c(CNC(=O)[C@H](N)CCC[NH3+])c2c1CCCC2 ZINC001220335709 774775305 /nfs/dbraw/zinc/77/53/05/774775305.db2.gz QXZLCZZCLLYHFV-CQSZACIVSA-N 1 3 306.410 0.657 20 0 DCADHO O=C(NCc1ccc(Cl)nn1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220368221 774783922 /nfs/dbraw/zinc/78/39/22/774783922.db2.gz AEWYOECAKDFXQF-NSHDSACASA-N 1 3 309.801 0.620 20 0 DCADHO O=C(NCc1ccc(Cl)nn1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220368221 774783925 /nfs/dbraw/zinc/78/39/25/774783925.db2.gz AEWYOECAKDFXQF-NSHDSACASA-N 1 3 309.801 0.620 20 0 DCADHO COc1cc2c(cc1C)C[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001220378546 774787055 /nfs/dbraw/zinc/78/70/55/774787055.db2.gz BKQUOTDRQFJXBY-WBVHZDCISA-N 1 3 317.433 0.914 20 0 DCADHO CC(C)COCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115241614 774833716 /nfs/dbraw/zinc/83/37/16/774833716.db2.gz LUISKXHAFWZVHR-CAOSSQGBSA-N 1 3 309.454 0.657 20 0 DCADHO CC(C)COCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115241614 774833724 /nfs/dbraw/zinc/83/37/24/774833724.db2.gz LUISKXHAFWZVHR-CAOSSQGBSA-N 1 3 309.454 0.657 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220619819 774866884 /nfs/dbraw/zinc/86/68/84/774866884.db2.gz LRTHIPLVWXRESK-UONOGXRCSA-N 1 3 304.394 0.604 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001202531752 774886048 /nfs/dbraw/zinc/88/60/48/774886048.db2.gz NUTMWHUABRFIIL-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@H](C)O)C[C@H]21 ZINC001114488193 774898200 /nfs/dbraw/zinc/89/82/00/774898200.db2.gz IPKKDJSPBFUNAC-BYNSBNAKSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]21 ZINC001114488193 774898206 /nfs/dbraw/zinc/89/82/06/774898206.db2.gz IPKKDJSPBFUNAC-BYNSBNAKSA-N 1 3 311.470 0.924 20 0 DCADHO CC(=O)NCCCCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220758094 774910389 /nfs/dbraw/zinc/91/03/89/774910389.db2.gz BNOOVHPFSQTOOG-AWEZNQCLSA-N 1 3 300.447 0.468 20 0 DCADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220866025 774939025 /nfs/dbraw/zinc/93/90/25/774939025.db2.gz QCXBJGHPIZBVTD-KNXALSJPSA-N 1 3 314.389 0.989 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667384 774984042 /nfs/dbraw/zinc/98/40/42/774984042.db2.gz JLPWKKLAAPDACT-UHFFFAOYSA-N 1 3 321.425 0.401 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000316778520 774984521 /nfs/dbraw/zinc/98/45/21/774984521.db2.gz VGVQXOGQZYGBKZ-LOWVWBTDSA-N 1 3 321.343 0.508 20 0 DCADHO O=C(N[C@H](c1ccnc(F)c1)C1CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221053709 774985496 /nfs/dbraw/zinc/98/54/96/774985496.db2.gz JHMIWBVZBYFXMO-JSGCOSHPSA-N 1 3 304.369 0.597 20 0 DCADHO Cc1cccc(C2(CNC(=O)[C@@H](N)CCC[NH3+])CCOCC2)n1 ZINC001221172857 775017745 /nfs/dbraw/zinc/01/77/45/775017745.db2.gz PVPHOGGLEGTNNS-AWEZNQCLSA-N 1 3 320.437 0.621 20 0 DCADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221244343 775040543 /nfs/dbraw/zinc/04/05/43/775040543.db2.gz XBUUIWQZSIIXNM-KSJWZXHBSA-N 1 3 323.437 0.407 20 0 DCADHO CC(=O)Nc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001221336132 775072960 /nfs/dbraw/zinc/07/29/60/775072960.db2.gz KYJBASWFJZNNQE-XHDPSFHLSA-N 1 3 316.405 0.631 20 0 DCADHO CN(CC(=O)NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CCC[NH2+]C1 ZINC001221399153 775086640 /nfs/dbraw/zinc/08/66/40/775086640.db2.gz MQXJVPKEKSKCSW-DLBZAZTESA-N 1 3 316.449 0.501 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001221401903 775087081 /nfs/dbraw/zinc/08/70/81/775087081.db2.gz RCUYYRJRQBTJNX-PIMMBPRGSA-N 1 3 307.442 0.527 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001221397471 775087168 /nfs/dbraw/zinc/08/71/68/775087168.db2.gz IRYKLUJYPGTKBU-CAOSSQGBSA-N 1 3 301.390 0.194 20 0 DCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)C12CCC[NH+](CCC1)C2 ZINC001095605888 775257398 /nfs/dbraw/zinc/25/73/98/775257398.db2.gz IXXAXTPUZLCYPH-PMPSAXMXSA-N 1 3 321.465 0.966 20 0 DCADHO CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282486 775704551 /nfs/dbraw/zinc/70/45/51/775704551.db2.gz SCXGSFHHDUUFJJ-KFWWJZLASA-N 1 3 307.438 0.840 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227057234 775918813 /nfs/dbraw/zinc/91/88/13/775918813.db2.gz RJTHEWUOGNEYES-MGPQQGTHSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001227619562 775990674 /nfs/dbraw/zinc/99/06/74/775990674.db2.gz RRDXSXDEKKXGHV-CQSZACIVSA-N 1 3 303.422 0.629 20 0 DCADHO CN(CC(=O)NC1CC[NH+](CCn2cccn2)CC1)C1CCC1 ZINC001227832670 776015651 /nfs/dbraw/zinc/01/56/51/776015651.db2.gz LEVVMHTUOUUUET-UHFFFAOYSA-N 1 3 319.453 0.948 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)CC1 ZINC001114744304 776089054 /nfs/dbraw/zinc/08/90/54/776089054.db2.gz ZBNSREYTPQNMBK-FICVDOATSA-N 1 3 317.437 0.271 20 0 DCADHO COCCOCCN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228894622 776136036 /nfs/dbraw/zinc/13/60/36/776136036.db2.gz CFZMICAWKALVLE-UHFFFAOYSA-N 1 3 315.458 0.572 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001067009844 776612723 /nfs/dbraw/zinc/61/27/23/776612723.db2.gz CQBWQHLBHWVYLN-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067009844 776612733 /nfs/dbraw/zinc/61/27/33/776612733.db2.gz CQBWQHLBHWVYLN-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041673785 777423915 /nfs/dbraw/zinc/42/39/15/777423915.db2.gz FSUNJDOPNYVFGM-DOTOQJQBSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041673785 777423918 /nfs/dbraw/zinc/42/39/18/777423918.db2.gz FSUNJDOPNYVFGM-DOTOQJQBSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041673786 777423974 /nfs/dbraw/zinc/42/39/74/777423974.db2.gz FSUNJDOPNYVFGM-NVXWUHKLSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041673786 777423978 /nfs/dbraw/zinc/42/39/78/777423978.db2.gz FSUNJDOPNYVFGM-NVXWUHKLSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCCO)C3)C2)C1 ZINC001041678580 777426340 /nfs/dbraw/zinc/42/63/40/777426340.db2.gz HUOJOFPNFXWOMZ-WBVHZDCISA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCCO)C3)C2)C1 ZINC001041678580 777426342 /nfs/dbraw/zinc/42/63/42/777426342.db2.gz HUOJOFPNFXWOMZ-WBVHZDCISA-N 1 3 309.454 0.635 20 0 DCADHO C[NH+]1CCC(C)(CN2CC3(C[C@H]3C(=O)NCC3COC3)C2)CC1 ZINC001278020211 945100240 /nfs/dbraw/zinc/10/02/40/945100240.db2.gz DOPDLVIGKWOCKQ-HNNXBMFYSA-N 1 3 321.465 0.803 20 0 DCADHO CN(CCNCC(=O)N1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317616345 945116485 /nfs/dbraw/zinc/11/64/85/945116485.db2.gz DRVNBZVMGUKSCY-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO COC[C@@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397502125 939137582 /nfs/dbraw/zinc/13/75/82/939137582.db2.gz ZZDBPXKUVXQBTB-INIZCTEOSA-N 1 3 308.422 0.610 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001266532064 939153574 /nfs/dbraw/zinc/15/35/74/939153574.db2.gz SUSJXAAMVKSUJY-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO C[NH+](C)CCN1C[C@@]2(CCN(C[C@@H]3CCCO3)C2)OCC1=O ZINC001273071980 945232256 /nfs/dbraw/zinc/23/22/56/945232256.db2.gz LFIHKUNUDJBPSQ-HOCLYGCPSA-N 1 3 311.426 0.030 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001414154846 939184743 /nfs/dbraw/zinc/18/47/43/939184743.db2.gz IQGCDICUNFRIGV-ZIAGYGMSSA-N 1 3 312.458 0.338 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001266854617 939255224 /nfs/dbraw/zinc/25/52/24/939255224.db2.gz WDOUDTWIWMPHBF-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001267113338 939348248 /nfs/dbraw/zinc/34/82/48/939348248.db2.gz IRHANUJINOOTCJ-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001267113338 939348252 /nfs/dbraw/zinc/34/82/52/939348252.db2.gz IRHANUJINOOTCJ-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1C ZINC001408582870 939379638 /nfs/dbraw/zinc/37/96/38/939379638.db2.gz IYYUKEIVOQYQBT-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1C ZINC001408582870 939379643 /nfs/dbraw/zinc/37/96/43/939379643.db2.gz IYYUKEIVOQYQBT-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCOCC(F)(F)F ZINC001267230318 939397180 /nfs/dbraw/zinc/39/71/80/939397180.db2.gz MOLSZENSHMENTQ-NSHDSACASA-N 1 3 311.348 0.565 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCOCC(F)(F)F ZINC001267230318 939397185 /nfs/dbraw/zinc/39/71/85/939397185.db2.gz MOLSZENSHMENTQ-NSHDSACASA-N 1 3 311.348 0.565 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001267615315 939575984 /nfs/dbraw/zinc/57/59/84/939575984.db2.gz MNVGISMKFBJFJQ-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001267615315 939575985 /nfs/dbraw/zinc/57/59/85/939575985.db2.gz MNVGISMKFBJFJQ-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CCNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496296601 939576933 /nfs/dbraw/zinc/57/69/33/939576933.db2.gz PQWYOXMBYSQXOV-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496296601 939576935 /nfs/dbraw/zinc/57/69/35/939576935.db2.gz PQWYOXMBYSQXOV-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001420027798 939585640 /nfs/dbraw/zinc/58/56/40/939585640.db2.gz JSCXCQHZGDCYKB-HNNXBMFYSA-N 1 3 315.458 0.116 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CCO)c2ccccc2)C1 ZINC001481370440 939761815 /nfs/dbraw/zinc/76/18/15/939761815.db2.gz FAVLYUPKGQNXOG-HOCLYGCPSA-N 1 3 305.422 0.768 20 0 DCADHO CCN1CC[C@H](N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)C1=O ZINC001481448438 939796740 /nfs/dbraw/zinc/79/67/40/939796740.db2.gz YHOJLGNRWGEQBA-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCCNC2=O)C1 ZINC001481505955 939906149 /nfs/dbraw/zinc/90/61/49/939906149.db2.gz VJKPPLXZSVWEEN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCCNC2=O)C1 ZINC001481505955 939906152 /nfs/dbraw/zinc/90/61/52/939906152.db2.gz VJKPPLXZSVWEEN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NC1CC1 ZINC001481839612 940156912 /nfs/dbraw/zinc/15/69/12/940156912.db2.gz YGEPNQICAVPJAH-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NC1CC1 ZINC001481839613 940157117 /nfs/dbraw/zinc/15/71/17/940157117.db2.gz YGEPNQICAVPJAH-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001481997511 940202404 /nfs/dbraw/zinc/20/24/04/940202404.db2.gz XLOURUMANJJKCB-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001268574753 940250501 /nfs/dbraw/zinc/25/05/01/940250501.db2.gz LYHHOFBCJMDTDX-SWVJOTTGSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001245990410 945308212 /nfs/dbraw/zinc/30/82/12/945308212.db2.gz IXWYWMGIWLIUEL-XIRDDKMYSA-N 1 3 322.449 0.796 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C(=O)CC[NH+](C)C)C2CC2)C1 ZINC001408945824 940278633 /nfs/dbraw/zinc/27/86/33/940278633.db2.gz PZLYBBMYFAMWGK-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001268597349 940289064 /nfs/dbraw/zinc/28/90/64/940289064.db2.gz RHLXCFXYDWVNTK-JZIMQPMSSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001268805257 940367632 /nfs/dbraw/zinc/36/76/32/940367632.db2.gz VOFZJTJUEHSWHF-UHFFFAOYSA-N 1 3 320.441 0.382 20 0 DCADHO Nc1ccc2c(c1)CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246051495 945327380 /nfs/dbraw/zinc/32/73/80/945327380.db2.gz JEQMRJOLUIZDOA-INIZCTEOSA-N 1 3 305.422 0.492 20 0 DCADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246088040 945335073 /nfs/dbraw/zinc/33/50/73/945335073.db2.gz HXICCSDGLGIZQG-UKTARXLSSA-N 1 3 302.390 0.760 20 0 DCADHO Cn1nncc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001279999170 940722087 /nfs/dbraw/zinc/72/20/87/940722087.db2.gz FRXPRPCSECCUFP-UKRRQHHQSA-N 1 3 320.441 0.238 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284186 940890195 /nfs/dbraw/zinc/89/01/95/940890195.db2.gz VWJGHOFZILBHQR-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482284186 940890196 /nfs/dbraw/zinc/89/01/96/940890196.db2.gz VWJGHOFZILBHQR-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001482293103 940912387 /nfs/dbraw/zinc/91/23/87/940912387.db2.gz SMWUFNXZFZHKDV-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338841 941005638 /nfs/dbraw/zinc/00/56/38/941005638.db2.gz KTUFFKFLLYVNCP-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C)N1CCCC1 ZINC001271213879 941324284 /nfs/dbraw/zinc/32/42/84/941324284.db2.gz IJXQGEMTBNBDHT-PMPSAXMXSA-N 1 3 308.470 0.708 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001409080988 941431097 /nfs/dbraw/zinc/43/10/97/941431097.db2.gz BMLYWPALJCIPPM-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001482534045 941464640 /nfs/dbraw/zinc/46/46/40/941464640.db2.gz PVGMVNKFBSRANE-KBPBESRZSA-N 1 3 324.469 0.480 20 0 DCADHO CCOCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001271860424 941468289 /nfs/dbraw/zinc/46/82/89/941468289.db2.gz KOEMJKIYNANCQX-GASCZTMLSA-N 1 3 309.454 0.897 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001271860424 941468290 /nfs/dbraw/zinc/46/82/90/941468290.db2.gz KOEMJKIYNANCQX-GASCZTMLSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482767101 941654910 /nfs/dbraw/zinc/65/49/10/941654910.db2.gz KTIQVOUQOPEDLI-XJKSGUPXSA-N 1 3 317.449 0.922 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483007880 941773053 /nfs/dbraw/zinc/77/30/53/941773053.db2.gz FOZUHUNIOUJLGG-XIKIYNFVSA-N 1 3 324.469 0.503 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483007880 941773055 /nfs/dbraw/zinc/77/30/55/941773055.db2.gz FOZUHUNIOUJLGG-XIKIYNFVSA-N 1 3 324.469 0.503 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001483242504 942197598 /nfs/dbraw/zinc/19/75/98/942197598.db2.gz LSQSYRMKLPKENY-NWDGAFQWSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001483242504 942197602 /nfs/dbraw/zinc/19/76/02/942197602.db2.gz LSQSYRMKLPKENY-NWDGAFQWSA-N 1 3 312.458 0.608 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260920 942215723 /nfs/dbraw/zinc/21/57/23/942215723.db2.gz OZJFTMFGTBKXQW-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001483286156 942238642 /nfs/dbraw/zinc/23/86/42/942238642.db2.gz RVIRGJRUOHQBCT-QWHCGFSZSA-N 1 3 308.430 0.202 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001127066372 942425316 /nfs/dbraw/zinc/42/53/16/942425316.db2.gz MNEOEBZMHPWXGK-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001127066372 942425310 /nfs/dbraw/zinc/42/53/10/942425310.db2.gz MNEOEBZMHPWXGK-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066264 942425592 /nfs/dbraw/zinc/42/55/92/942425592.db2.gz KLVDYWHGEDPJRY-OAHLLOKOSA-N 1 3 307.442 0.807 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066264 942425595 /nfs/dbraw/zinc/42/55/95/942425595.db2.gz KLVDYWHGEDPJRY-OAHLLOKOSA-N 1 3 307.442 0.807 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2cnn(C)c2)C2CC2)C1 ZINC001483587218 942443964 /nfs/dbraw/zinc/44/39/64/942443964.db2.gz BADHUNLXGJMOJC-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001483607400 942459680 /nfs/dbraw/zinc/45/96/80/942459680.db2.gz KZMRLZFTDCOIJZ-HUUCEWRRSA-N 1 3 322.453 0.235 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)c1ccc(C[NH+]2CCCC2)o1 ZINC001413393300 942947966 /nfs/dbraw/zinc/94/79/66/942947966.db2.gz MAOYIPJQWRSOIW-CYBMUJFWSA-N 1 3 307.394 0.672 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001484142692 943163985 /nfs/dbraw/zinc/16/39/85/943163985.db2.gz ZVKZPCCRWBIPBS-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338504 943326991 /nfs/dbraw/zinc/32/69/91/943326991.db2.gz KXXDLRBZTYCWIA-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338506 943327697 /nfs/dbraw/zinc/32/76/97/943327697.db2.gz KXXDLRBZTYCWIA-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484580306 943456969 /nfs/dbraw/zinc/45/69/69/943456969.db2.gz CBLVUQUIRDLLRK-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cncn2C)CCC1 ZINC001484657797 943496554 /nfs/dbraw/zinc/49/65/54/943496554.db2.gz SLKAEIJFRCAVST-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cncn2C)CCC1 ZINC001484657797 943496556 /nfs/dbraw/zinc/49/65/56/943496556.db2.gz SLKAEIJFRCAVST-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001484678968 943510080 /nfs/dbraw/zinc/51/00/80/943510080.db2.gz TWTOIMFRAWNKHN-CHWSQXEVSA-N 1 3 307.385 0.453 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CCn2cccn2)C1 ZINC001484695995 943526947 /nfs/dbraw/zinc/52/69/47/943526947.db2.gz KSHNTHSRBIMCLB-OAHLLOKOSA-N 1 3 323.441 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCO ZINC001485045408 943664653 /nfs/dbraw/zinc/66/46/53/943664653.db2.gz XGBCFESGMSSTEG-NVXWUHKLSA-N 1 3 305.422 0.691 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001491025311 943714999 /nfs/dbraw/zinc/71/49/99/943714999.db2.gz CDJQVLIXJXONPY-OKILXGFUSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCC(=O)NC1CC1 ZINC001485187111 943745251 /nfs/dbraw/zinc/74/52/51/943745251.db2.gz RHFUQVJERWFBAD-NWDGAFQWSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCc1n[nH]c(C2CC2)n1 ZINC001485191381 943746400 /nfs/dbraw/zinc/74/64/00/943746400.db2.gz UTXIMRXWAYRZLO-WDEREUQCSA-N 1 3 308.430 0.617 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001491152583 943790166 /nfs/dbraw/zinc/79/01/66/943790166.db2.gz CXUDOHLTXQXEEC-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCN1CCCC1=O ZINC001485348152 943862584 /nfs/dbraw/zinc/86/25/84/943862584.db2.gz VSJJKVAZBYKEIU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491367508 943943230 /nfs/dbraw/zinc/94/32/30/943943230.db2.gz PPKRFPWTKZWTNC-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccnn1C ZINC001491486430 944036177 /nfs/dbraw/zinc/03/61/77/944036177.db2.gz IESJYJXKWBYPRU-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccnn1C ZINC001491486430 944036184 /nfs/dbraw/zinc/03/61/84/944036184.db2.gz IESJYJXKWBYPRU-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3cnoc3)C2)C1=O ZINC001272712806 944157991 /nfs/dbraw/zinc/15/79/91/944157991.db2.gz RUVRFPDMULBFQN-MRXNPFEDSA-N 1 3 320.393 0.577 20 0 DCADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485835048 944271418 /nfs/dbraw/zinc/27/14/18/944271418.db2.gz TYCPRLZXVVGOIX-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485835048 944271428 /nfs/dbraw/zinc/27/14/28/944271428.db2.gz TYCPRLZXVVGOIX-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001486085648 944547162 /nfs/dbraw/zinc/54/71/62/944547162.db2.gz RZWJCBFEHKMAOD-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CCC[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001277211646 944707227 /nfs/dbraw/zinc/70/72/27/944707227.db2.gz YXANKAYSBCGKQM-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+]1CCC(NC(=O)C23CC(NCc4ccnnc4)(C2)C3)CC1 ZINC001277212081 944708217 /nfs/dbraw/zinc/70/82/17/944708217.db2.gz XADKWSMOJNVMCH-UHFFFAOYSA-N 1 3 315.421 0.699 20 0 DCADHO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)N1CCCCCC1 ZINC001486301984 944744605 /nfs/dbraw/zinc/74/46/05/944744605.db2.gz BENVDARRRKKDAH-CABCVRRESA-N 1 3 315.458 0.042 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001317362643 944939621 /nfs/dbraw/zinc/93/96/21/944939621.db2.gz GNFSOJOHIJPJIT-ZIAGYGMSSA-N 1 3 324.425 0.287 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317433244 944969648 /nfs/dbraw/zinc/96/96/48/944969648.db2.gz CELUFIVDOAMOEJ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317433244 944969653 /nfs/dbraw/zinc/96/96/53/944969653.db2.gz CELUFIVDOAMOEJ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)S(=O)(=O)N1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246369050 945396507 /nfs/dbraw/zinc/39/65/07/945396507.db2.gz VBODUFCIKNAUDN-UHFFFAOYSA-N 1 3 303.472 0.778 20 0 DCADHO FC(F)(F)Cn1ccnc1CN[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246380064 945398791 /nfs/dbraw/zinc/39/87/91/945398791.db2.gz CHFOXDGQUCRQFL-SNVBAGLBSA-N 1 3 303.332 0.629 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@](F)(C[NH3+])CC2)CN1 ZINC001246546916 945430195 /nfs/dbraw/zinc/43/01/95/945430195.db2.gz HKKUMAQYOLRGQP-YDHLFZDLSA-N 1 3 301.406 0.823 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246606995 945441539 /nfs/dbraw/zinc/44/15/39/945441539.db2.gz ZHFSNVSEIWHOBI-KBPBESRZSA-N 1 3 311.426 0.125 20 0 DCADHO O=C1NCCN([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CNC2 ZINC001246637963 945449657 /nfs/dbraw/zinc/44/96/57/945449657.db2.gz QYCJACLFGMGWNT-LSDHHAIUSA-N 1 3 300.406 0.254 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CN1 ZINC001246681963 945461141 /nfs/dbraw/zinc/46/11/41/945461141.db2.gz AMWMOTZKFQNJRE-AZGDMVHKSA-N 1 3 323.437 0.123 20 0 DCADHO CC(=O)N1CCO[C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]21 ZINC001246695494 945462723 /nfs/dbraw/zinc/46/27/23/945462723.db2.gz OYCYLFVHYKAQBA-BFZKSOEOSA-N 1 3 307.438 0.981 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@@H+](C4CCNCC4)C[C@@H]3C2)cn1 ZINC001246712408 945469844 /nfs/dbraw/zinc/46/98/44/945469844.db2.gz ACXAHXLMIQNNHO-CVEARBPZSA-N 1 3 303.454 0.926 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@H+](C4CCNCC4)C[C@@H]3C2)cn1 ZINC001246712408 945469848 /nfs/dbraw/zinc/46/98/48/945469848.db2.gz ACXAHXLMIQNNHO-CVEARBPZSA-N 1 3 303.454 0.926 20 0 DCADHO O=C(NC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCCNC1)C2)N1CCCC1 ZINC001246719932 945472892 /nfs/dbraw/zinc/47/28/92/945472892.db2.gz LGBRJGKNFHIELB-VYDXJSESSA-N 1 3 322.453 0.492 20 0 DCADHO O=C(NC[C@]12COC[C@H]1C[N@H+]([C@H]1CCCNC1)C2)N1CCCC1 ZINC001246719932 945472897 /nfs/dbraw/zinc/47/28/97/945472897.db2.gz LGBRJGKNFHIELB-VYDXJSESSA-N 1 3 322.453 0.492 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CCN1 ZINC001246748523 945481580 /nfs/dbraw/zinc/48/15/80/945481580.db2.gz YQNRZIJGODXUDA-GCSSGZNBSA-N 1 3 323.437 0.485 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CCN1 ZINC001246748523 945481584 /nfs/dbraw/zinc/48/15/84/945481584.db2.gz YQNRZIJGODXUDA-GCSSGZNBSA-N 1 3 323.437 0.485 20 0 DCADHO COC(=O)c1cccc2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246812224 945496018 /nfs/dbraw/zinc/49/60/18/945496018.db2.gz SPRCZRJVKMPUEM-ZDUSSCGKSA-N 1 3 301.390 0.883 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)[C@H]1CCCN1C ZINC001319508151 945604155 /nfs/dbraw/zinc/60/41/55/945604155.db2.gz AAUMKMWUDZFMDX-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001319594828 945625685 /nfs/dbraw/zinc/62/56/85/945625685.db2.gz XDJHWVLLSTXURP-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001251968833 945828021 /nfs/dbraw/zinc/82/80/21/945828021.db2.gz JYHLMNDFMZMKNP-HOCLYGCPSA-N 1 3 319.449 0.772 20 0 DCADHO COc1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001252888720 946021944 /nfs/dbraw/zinc/02/19/44/946021944.db2.gz QOQZHJGKKAPSCN-QLFBSQMISA-N 1 3 306.406 0.928 20 0 DCADHO COc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001252888720 946021954 /nfs/dbraw/zinc/02/19/54/946021954.db2.gz QOQZHJGKKAPSCN-QLFBSQMISA-N 1 3 306.406 0.928 20 0 DCADHO OCC1(CO)CC(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252943220 946032882 /nfs/dbraw/zinc/03/28/82/946032882.db2.gz AVWOBRGSYOVHPZ-SFHVURJKSA-N 1 3 320.433 0.346 20 0 DCADHO OCC1(CO)CC(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252943220 946032894 /nfs/dbraw/zinc/03/28/94/946032894.db2.gz AVWOBRGSYOVHPZ-SFHVURJKSA-N 1 3 320.433 0.346 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001410224339 946059557 /nfs/dbraw/zinc/05/95/57/946059557.db2.gz BIBDWODXKJZDOI-AJNGGQMLSA-N 1 3 324.469 0.609 20 0 DCADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001253185459 946088947 /nfs/dbraw/zinc/08/89/47/946088947.db2.gz RRAFERJTIPJSLQ-OWCLPIDISA-N 1 3 319.453 0.547 20 0 DCADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001253185459 946088953 /nfs/dbraw/zinc/08/89/53/946088953.db2.gz RRAFERJTIPJSLQ-OWCLPIDISA-N 1 3 319.453 0.547 20 0 DCADHO CC(C)N1CCN(CC[NH2+]C[C@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253702563 946165457 /nfs/dbraw/zinc/16/54/57/946165457.db2.gz CWNFWJSKATVHIA-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO Cn1cc(CC[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)cn1 ZINC001321190349 946207289 /nfs/dbraw/zinc/20/72/89/946207289.db2.gz UKYDYJJCPSRJKN-NHZBNJEXSA-N 1 3 305.426 0.319 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001410447704 946389999 /nfs/dbraw/zinc/38/99/99/946389999.db2.gz ICGQKLGFSCODJI-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001410485534 946479396 /nfs/dbraw/zinc/47/93/96/946479396.db2.gz FXNQNXAAHWAOBF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001410485534 946479403 /nfs/dbraw/zinc/47/94/03/946479403.db2.gz FXNQNXAAHWAOBF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)[C@@H](CCC[NH3+])NC1CCC(N2CCOCC2)CC1 ZINC001256679879 946652804 /nfs/dbraw/zinc/65/28/04/946652804.db2.gz UXLGVNKJEJGECE-YMAMQOFZSA-N 1 3 313.442 0.500 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(CCn1cncn1)CC2 ZINC001410894130 947098463 /nfs/dbraw/zinc/09/84/63/947098463.db2.gz HOPWKTHMZOPXQI-GOEBONIOSA-N 1 3 320.441 0.343 20 0 DCADHO CN(C[C@H](O)CNCc1cncc(F)c1)C(=O)CC[NH+](C)C ZINC001411080505 947300230 /nfs/dbraw/zinc/30/02/30/947300230.db2.gz MFOQNNQFZXXDOK-CQSZACIVSA-N 1 3 312.389 0.081 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)CCCF)C(=O)C(C)(C)N1CCCC1 ZINC001411175952 947443686 /nfs/dbraw/zinc/44/36/86/947443686.db2.gz PSDNFVMRUBSEQC-CQSZACIVSA-N 1 3 317.449 0.972 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)CCCF)C(=O)C(C)(C)N1CCCC1 ZINC001411175952 947443691 /nfs/dbraw/zinc/44/36/91/947443691.db2.gz PSDNFVMRUBSEQC-CQSZACIVSA-N 1 3 317.449 0.972 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NCc2cnc(N)cn2)CC1 ZINC001261903670 947479927 /nfs/dbraw/zinc/47/99/27/947479927.db2.gz HPVOVGLPBPOBPP-UHFFFAOYSA-N 1 3 306.414 0.139 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001325388309 947777421 /nfs/dbraw/zinc/77/74/21/947777421.db2.gz ZOIUZRPWWBDTFO-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(=O)NC1CC1 ZINC001179486071 947850956 /nfs/dbraw/zinc/85/09/56/947850956.db2.gz GXIOUPAHCUACRN-OBJOEFQTSA-N 1 3 310.442 0.184 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499164 947855610 /nfs/dbraw/zinc/85/56/10/947855610.db2.gz NSGGWKBQSKJMEF-OAHLLOKOSA-N 1 3 314.474 0.585 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001487787737 948275553 /nfs/dbraw/zinc/27/55/53/948275553.db2.gz YHPVUKQQJCVMAP-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001265145799 949372142 /nfs/dbraw/zinc/37/21/42/949372142.db2.gz ALAYMAIEQUOKIQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001265145799 949372171 /nfs/dbraw/zinc/37/21/71/949372171.db2.gz ALAYMAIEQUOKIQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCc1ccnn1C ZINC001489287907 949666458 /nfs/dbraw/zinc/66/64/58/949666458.db2.gz ZADYHPBDFQPVBO-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001266012635 950251387 /nfs/dbraw/zinc/25/13/87/950251387.db2.gz HFUHVNNPNYGNSI-HUUCEWRRSA-N 1 3 322.457 0.302 20 0 DCADHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H](C)C(=O)NC ZINC001266042456 950296430 /nfs/dbraw/zinc/29/64/30/950296430.db2.gz BZKBTKIBTHNKRR-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC1=CC[N@H+](C[C@H](C)O)CC1 ZINC001279573822 950630491 /nfs/dbraw/zinc/63/04/91/950630491.db2.gz ILGIEWOLYILYNP-DZGCQCFKSA-N 1 3 315.433 0.795 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC1=CC[N@@H+](C[C@H](C)O)CC1 ZINC001279573822 950630503 /nfs/dbraw/zinc/63/05/03/950630503.db2.gz ILGIEWOLYILYNP-DZGCQCFKSA-N 1 3 315.433 0.795 20 0 DCADHO C[N@@H+]1C[C@@]23CN(CCCC(=O)NC(N)=O)C[C@]2(C1)CCCC3 ZINC001365348548 951010280 /nfs/dbraw/zinc/01/02/80/951010280.db2.gz VOCCNHIKIAJXGM-IYBDPMFKSA-N 1 3 308.426 0.769 20 0 DCADHO C[N@H+]1C[C@@]23CN(CCCC(=O)NC(N)=O)C[C@]2(C1)CCCC3 ZINC001365348548 951010293 /nfs/dbraw/zinc/01/02/93/951010293.db2.gz VOCCNHIKIAJXGM-IYBDPMFKSA-N 1 3 308.426 0.769 20 0 DCADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 ZINC001365618468 951330255 /nfs/dbraw/zinc/33/02/55/951330255.db2.gz GSZDMHVFJFYAIF-UBHSHLNASA-N 1 3 301.456 0.340 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCNC3=O)CC2)CC1 ZINC001331939022 951399168 /nfs/dbraw/zinc/39/91/68/951399168.db2.gz LNEAGKDTEJBQGK-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001274340541 951570093 /nfs/dbraw/zinc/57/00/93/951570093.db2.gz UJLFOMIXBVZKHC-YOVCOIKASA-N 1 3 324.469 0.455 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(O)(CNCCF)CC1 ZINC001281645277 951575326 /nfs/dbraw/zinc/57/53/26/951575326.db2.gz VTAIHCFJBINSMD-OKILXGFUSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(O)(CNCCF)CC1 ZINC001281645277 951575333 /nfs/dbraw/zinc/57/53/33/951575333.db2.gz VTAIHCFJBINSMD-OKILXGFUSA-N 1 3 315.433 0.772 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001274642972 951759234 /nfs/dbraw/zinc/75/92/34/951759234.db2.gz KJEQZYZEFHNHSB-GOEBONIOSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001274642972 951759239 /nfs/dbraw/zinc/75/92/39/951759239.db2.gz KJEQZYZEFHNHSB-GOEBONIOSA-N 1 3 313.442 0.012 20 0 DCADHO O=C1CC[C@@H](C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)N1 ZINC001275187408 951996395 /nfs/dbraw/zinc/99/63/95/951996395.db2.gz JQMFMOFNRGSBJA-HNNXBMFYSA-N 1 3 317.437 0.560 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCC1(C)C ZINC001333424167 952054299 /nfs/dbraw/zinc/05/42/99/952054299.db2.gz QPEGFZCOAQZIKE-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CON(C)C(=O)CC[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001335943858 952623891 /nfs/dbraw/zinc/62/38/91/952623891.db2.gz ZFHVCINCEOMZEY-KBPBESRZSA-N 1 3 301.431 0.875 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001412635832 952956764 /nfs/dbraw/zinc/95/67/64/952956764.db2.gz MPDLMSDEMXWCGQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001412635832 952956766 /nfs/dbraw/zinc/95/67/66/952956766.db2.gz MPDLMSDEMXWCGQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001276180408 952980749 /nfs/dbraw/zinc/98/07/49/952980749.db2.gz YNUICFGLXCQDPR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC(N[C@H]2CCOC2)C1 ZINC001412692910 953001270 /nfs/dbraw/zinc/00/12/70/953001270.db2.gz JSISSOKNQZIRER-BBRMVZONSA-N 1 3 307.438 0.983 20 0 DCADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC(N[C@H]2CCOC2)C1 ZINC001412692910 953001273 /nfs/dbraw/zinc/00/12/73/953001273.db2.gz JSISSOKNQZIRER-BBRMVZONSA-N 1 3 307.438 0.983 20 0 DCADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC001339798287 953120717 /nfs/dbraw/zinc/12/07/17/953120717.db2.gz DQWKURZAAVFVCO-UHFFFAOYSA-N 1 3 321.425 0.280 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001365932432 953422410 /nfs/dbraw/zinc/42/24/10/953422410.db2.gz NSPCQIVNEIBSRM-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO CCCN1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001365961021 953475248 /nfs/dbraw/zinc/47/52/48/953475248.db2.gz GDASLCRFMOIACC-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO CCCN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001365961021 953475255 /nfs/dbraw/zinc/47/52/55/953475255.db2.gz GDASLCRFMOIACC-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CC1)C1CCC1 ZINC001366033187 953603985 /nfs/dbraw/zinc/60/39/85/953603985.db2.gz GTEKCOAZLVYYIX-HUUCEWRRSA-N 1 3 322.453 0.234 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366079323 953656094 /nfs/dbraw/zinc/65/60/94/953656094.db2.gz PFOYHDSRFWKOPL-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366079323 953656109 /nfs/dbraw/zinc/65/61/09/953656109.db2.gz PFOYHDSRFWKOPL-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366186904 953794999 /nfs/dbraw/zinc/79/49/99/953794999.db2.gz JMZFXQJGCJQPOO-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366186904 953795003 /nfs/dbraw/zinc/79/50/03/953795003.db2.gz JMZFXQJGCJQPOO-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366186913 953795162 /nfs/dbraw/zinc/79/51/62/953795162.db2.gz JMZFXQJGCJQPOO-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366186913 953795167 /nfs/dbraw/zinc/79/51/67/953795167.db2.gz JMZFXQJGCJQPOO-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(=O)NC ZINC001366219054 953844805 /nfs/dbraw/zinc/84/48/05/953844805.db2.gz VHTHMVXOOZCGSK-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(=O)NC ZINC001366219054 953844819 /nfs/dbraw/zinc/84/48/19/953844819.db2.gz VHTHMVXOOZCGSK-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@H](CC)C(N)=O)CC1 ZINC001366248672 953890700 /nfs/dbraw/zinc/89/07/00/953890700.db2.gz PSWMQUSDZNNPEN-JXQTWKCFSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001366276890 953940605 /nfs/dbraw/zinc/94/06/05/953940605.db2.gz VXFZMCWSVXNVDX-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001366276890 953940611 /nfs/dbraw/zinc/94/06/11/953940611.db2.gz VXFZMCWSVXNVDX-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001283041962 953948508 /nfs/dbraw/zinc/94/85/08/953948508.db2.gz YCDIUJOWQYFWDM-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001283041962 953948518 /nfs/dbraw/zinc/94/85/18/953948518.db2.gz YCDIUJOWQYFWDM-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001366346609 954070612 /nfs/dbraw/zinc/07/06/12/954070612.db2.gz ORRLVTCRUHQMET-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001366396355 954148373 /nfs/dbraw/zinc/14/83/73/954148373.db2.gz BSRIMSFWYOJBMS-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283262279 954200721 /nfs/dbraw/zinc/20/07/21/954200721.db2.gz ORIRKYGTIQFBJV-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCn1cccn1 ZINC001366528153 954348577 /nfs/dbraw/zinc/34/85/77/954348577.db2.gz IKRLQSKYTZPCNP-OAHLLOKOSA-N 1 3 307.442 0.804 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCn1cccn1 ZINC001366528153 954348588 /nfs/dbraw/zinc/34/85/88/954348588.db2.gz IKRLQSKYTZPCNP-OAHLLOKOSA-N 1 3 307.442 0.804 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@H](CC)N(C)C ZINC001349172834 954630760 /nfs/dbraw/zinc/63/07/60/954630760.db2.gz VYQNQSKZUXGQPG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@H](CC)N(C)C ZINC001349172834 954630766 /nfs/dbraw/zinc/63/07/66/954630766.db2.gz VYQNQSKZUXGQPG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001366698409 954669490 /nfs/dbraw/zinc/66/94/90/954669490.db2.gz NAGRIQOEWUNAGS-BBRMVZONSA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001366698409 954669496 /nfs/dbraw/zinc/66/94/96/954669496.db2.gz NAGRIQOEWUNAGS-BBRMVZONSA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001366698412 954669914 /nfs/dbraw/zinc/66/99/14/954669914.db2.gz NAGRIQOEWUNAGS-XJKSGUPXSA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001366698412 954669922 /nfs/dbraw/zinc/66/99/22/954669922.db2.gz NAGRIQOEWUNAGS-XJKSGUPXSA-N 1 3 315.433 0.629 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366707589 954689025 /nfs/dbraw/zinc/68/90/25/954689025.db2.gz PDVDPWBZAHSLFY-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366707589 954689033 /nfs/dbraw/zinc/68/90/33/954689033.db2.gz PDVDPWBZAHSLFY-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001366779041 954833860 /nfs/dbraw/zinc/83/38/60/954833860.db2.gz RCJGSNVKUYTSCG-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001349820426 954897148 /nfs/dbraw/zinc/89/71/48/954897148.db2.gz GLPZFMGNBJTDBM-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001366836221 954910274 /nfs/dbraw/zinc/91/02/74/954910274.db2.gz QDVZIJLLOMMIOZ-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC(=O)NC ZINC001367131930 955370738 /nfs/dbraw/zinc/37/07/38/955370738.db2.gz VLITXHIUKYRLRK-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC1CCCC1 ZINC001367220766 955474401 /nfs/dbraw/zinc/47/44/01/955474401.db2.gz NUSVNFMKMRNXKQ-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@@H](CC)C(N)=O)CCCC1)N(C)C ZINC001367325498 955646337 /nfs/dbraw/zinc/64/63/37/955646337.db2.gz WJWVBCQKHWEHAH-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001355214142 956616787 /nfs/dbraw/zinc/61/67/87/956616787.db2.gz HRQQOLUOZQPQQO-HZPDHXFCSA-N 1 3 324.469 0.713 20 0 DCADHO C[C@@H]([NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCCC1)C(N)=O ZINC001506518669 1017333855 /nfs/dbraw/zinc/33/38/55/1017333855.db2.gz IOTBWHYAIKBTER-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367653002 958279980 /nfs/dbraw/zinc/27/99/80/958279980.db2.gz FYPIPTREZQOUFO-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001367653002 958279994 /nfs/dbraw/zinc/27/99/94/958279994.db2.gz FYPIPTREZQOUFO-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1nccn1CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001361932512 958508930 /nfs/dbraw/zinc/50/89/30/958508930.db2.gz WKBJZSUODURAFR-UHFFFAOYSA-N 1 3 307.442 0.676 20 0 DCADHO Cc1nccn1CC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001361932512 958508937 /nfs/dbraw/zinc/50/89/37/958508937.db2.gz WKBJZSUODURAFR-UHFFFAOYSA-N 1 3 307.442 0.676 20 0 DCADHO Cc1nccn1CC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001361932512 958508951 /nfs/dbraw/zinc/50/89/51/958508951.db2.gz WKBJZSUODURAFR-UHFFFAOYSA-N 1 3 307.442 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CCCC1 ZINC001367775606 958549142 /nfs/dbraw/zinc/54/91/42/958549142.db2.gz RXQUQWIGOSNUBX-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N[C@@H](C)C(N)=O ZINC001376773231 958796179 /nfs/dbraw/zinc/79/61/79/958796179.db2.gz KFCHJQNBGMNKRW-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001367914821 958852406 /nfs/dbraw/zinc/85/24/06/958852406.db2.gz XAIWZVKGKMLAKE-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)CC1CC1 ZINC001491579359 958873376 /nfs/dbraw/zinc/87/33/76/958873376.db2.gz LEFPYNVMLMPBJI-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001491643010 958998188 /nfs/dbraw/zinc/99/81/88/958998188.db2.gz WTGOSMWLWQLMAV-ZIAGYGMSSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccnn1C ZINC001491682516 959042041 /nfs/dbraw/zinc/04/20/41/959042041.db2.gz MIOCRDFEMMRRNJ-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1 ZINC001367997333 959049329 /nfs/dbraw/zinc/04/93/29/959049329.db2.gz NMAOUNGOPUXBAI-KGLIPLIRSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1 ZINC001367997333 959049344 /nfs/dbraw/zinc/04/93/44/959049344.db2.gz NMAOUNGOPUXBAI-KGLIPLIRSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001367996996 959050103 /nfs/dbraw/zinc/05/01/03/959050103.db2.gz MADRPQQWLFYTGW-KBPBESRZSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001367996996 959050121 /nfs/dbraw/zinc/05/01/21/959050121.db2.gz MADRPQQWLFYTGW-KBPBESRZSA-N 1 3 322.453 0.376 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001376885398 959062943 /nfs/dbraw/zinc/06/29/43/959062943.db2.gz RGYRPZSOIHBZLL-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001376885398 959062956 /nfs/dbraw/zinc/06/29/56/959062956.db2.gz RGYRPZSOIHBZLL-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001376885394 959063143 /nfs/dbraw/zinc/06/31/43/959063143.db2.gz RGYRPZSOIHBZLL-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001376885394 959063158 /nfs/dbraw/zinc/06/31/58/959063158.db2.gz RGYRPZSOIHBZLL-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001376958045 959203870 /nfs/dbraw/zinc/20/38/70/959203870.db2.gz OYEWULHVZBJPPF-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001368119090 959279224 /nfs/dbraw/zinc/27/92/24/959279224.db2.gz CDNKZNSKGBVJDO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001368123787 959285695 /nfs/dbraw/zinc/28/56/95/959285695.db2.gz SOGRBFFPTNKOII-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001491847816 959299720 /nfs/dbraw/zinc/29/97/20/959299720.db2.gz LQOPECDXUHOOCH-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001491895503 959365371 /nfs/dbraw/zinc/36/53/71/959365371.db2.gz VAEOBCRPXLTBTQ-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001377068359 959421477 /nfs/dbraw/zinc/42/14/77/959421477.db2.gz QXCNMCHEWISDEV-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO COc1nccc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001492128615 959609523 /nfs/dbraw/zinc/60/95/23/959609523.db2.gz YQKWLWUSMGRDIG-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001492128615 959609533 /nfs/dbraw/zinc/60/95/33/959609533.db2.gz YQKWLWUSMGRDIG-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001492085242 959620468 /nfs/dbraw/zinc/62/04/68/959620468.db2.gz NQTJZCAPOJJDJJ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001362634097 959736135 /nfs/dbraw/zinc/73/61/35/959736135.db2.gz OQUMXOQUCTXXKX-DLBZAZTESA-N 1 3 322.497 0.813 20 0 DCADHO Cn1cc(CNC[C@H]2CCCCN2C(=O)CC[NH+](C)C)cn1 ZINC001368457214 959893726 /nfs/dbraw/zinc/89/37/26/959893726.db2.gz HRJFLSCTVZMCBM-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001368485252 959929783 /nfs/dbraw/zinc/92/97/83/959929783.db2.gz LUZIHJOUAPPUNE-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001368485252 959929787 /nfs/dbraw/zinc/92/97/87/959929787.db2.gz LUZIHJOUAPPUNE-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001368500424 959944728 /nfs/dbraw/zinc/94/47/28/959944728.db2.gz LHBHZQREWIAPIO-IGQOVBAYSA-N 1 3 310.442 0.077 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001377401382 960037425 /nfs/dbraw/zinc/03/74/25/960037425.db2.gz FJTLZDZBQPQMPC-KKUMJFAQSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001377401382 960037431 /nfs/dbraw/zinc/03/74/31/960037431.db2.gz FJTLZDZBQPQMPC-KKUMJFAQSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001377408028 960041981 /nfs/dbraw/zinc/04/19/81/960041981.db2.gz FJTLZDZBQPQMPC-SOUVJXGZSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001377408028 960041991 /nfs/dbraw/zinc/04/19/91/960041991.db2.gz FJTLZDZBQPQMPC-SOUVJXGZSA-N 1 3 315.458 0.161 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001368586840 960062186 /nfs/dbraw/zinc/06/21/86/960062186.db2.gz DAQNIAXGMWDZIY-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC/C=C\Cl)C1 ZINC001368617075 960092478 /nfs/dbraw/zinc/09/24/78/960092478.db2.gz BHCLXUQTNMMAGA-ZBKLQPJUSA-N 1 3 303.834 0.634 20 0 DCADHO CO[C@@H](C)C[NH2+][C@]1(CO)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001368634410 960109157 /nfs/dbraw/zinc/10/91/57/960109157.db2.gz ZZFHPMHYYSSJBY-GOEBONIOSA-N 1 3 315.458 0.305 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H](NCc2cnns2)C1 ZINC001368640716 960112532 /nfs/dbraw/zinc/11/25/32/960112532.db2.gz FMQSCATYQDWCAH-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(=O)N(C)C ZINC001368662937 960135269 /nfs/dbraw/zinc/13/52/69/960135269.db2.gz CIVJBOLJTZHJBB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001368717390 960191162 /nfs/dbraw/zinc/19/11/62/960191162.db2.gz KNMBVTRYRGWWGY-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CC[N@H+](CC1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H](C)C(N)=O ZINC001368770462 960246476 /nfs/dbraw/zinc/24/64/76/960246476.db2.gz MBYOIPIURHBRTA-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CC[N@@H+](CC1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H](C)C(N)=O ZINC001368770462 960246486 /nfs/dbraw/zinc/24/64/86/960246486.db2.gz MBYOIPIURHBRTA-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001368776019 960254277 /nfs/dbraw/zinc/25/42/77/960254277.db2.gz KPGPCGWLKDGHEX-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001368776019 960254280 /nfs/dbraw/zinc/25/42/80/960254280.db2.gz KPGPCGWLKDGHEX-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NC ZINC001368778140 960258251 /nfs/dbraw/zinc/25/82/51/960258251.db2.gz PXQMLUOZWUIWPS-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NC ZINC001368778140 960258258 /nfs/dbraw/zinc/25/82/58/960258258.db2.gz PXQMLUOZWUIWPS-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCO)[NH+](C)C ZINC001368781955 960260379 /nfs/dbraw/zinc/26/03/79/960260379.db2.gz XWSVOWREJPYOIY-ZACQAIPSSA-N 1 3 319.449 0.937 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001377701531 960463942 /nfs/dbraw/zinc/46/39/42/960463942.db2.gz UAFUATKUPWGBLE-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377774263 960627679 /nfs/dbraw/zinc/62/76/79/960627679.db2.gz XQPHYZFMLDNARR-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377774263 960627695 /nfs/dbraw/zinc/62/76/95/960627695.db2.gz XQPHYZFMLDNARR-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(N)=O ZINC001378346952 960629645 /nfs/dbraw/zinc/62/96/45/960629645.db2.gz ZXNPVRNFGPVRKW-AWEZNQCLSA-N 1 3 306.410 0.332 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001377835395 960770173 /nfs/dbraw/zinc/77/01/73/960770173.db2.gz VKVKPEWAHFXQEL-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)CCC[NH+](C)C)n[nH]1 ZINC001378506944 960892835 /nfs/dbraw/zinc/89/28/35/960892835.db2.gz YGEJZJWREVQILQ-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)CC[N@H+](C)CC)N(C)C ZINC001378556860 961010569 /nfs/dbraw/zinc/01/05/69/961010569.db2.gz ZQSSOBPJMCKPKP-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)CC[N@@H+](C)CC)N(C)C ZINC001378556860 961010589 /nfs/dbraw/zinc/01/05/89/961010589.db2.gz ZQSSOBPJMCKPKP-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CC34CC[NH2+]CC4)C2)nn1 ZINC001549047315 1013248200 /nfs/dbraw/zinc/24/82/00/1013248200.db2.gz OMKIFBPXKVSYPF-ZIAGYGMSSA-N 1 3 318.425 0.290 20 0 DCADHO CC(C)C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001378877964 961643696 /nfs/dbraw/zinc/64/36/96/961643696.db2.gz DLILFQHGIYDVDI-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001378968119 961779952 /nfs/dbraw/zinc/77/99/52/961779952.db2.gz XGUWZINFQHGRQT-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC001379732656 961883275 /nfs/dbraw/zinc/88/32/75/961883275.db2.gz ZVMHPUVLJASEPO-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001379750780 961939567 /nfs/dbraw/zinc/93/95/67/961939567.db2.gz OVERSONVOQLONP-HIFRSBDPSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001379750780 961939581 /nfs/dbraw/zinc/93/95/81/961939581.db2.gz OVERSONVOQLONP-HIFRSBDPSA-N 1 3 322.453 0.662 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001379151392 962206829 /nfs/dbraw/zinc/20/68/29/962206829.db2.gz UMUSVAZMSKQEDI-OLZOCXBDSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C)C1CC1 ZINC001379194218 962327697 /nfs/dbraw/zinc/32/76/97/962327697.db2.gz DSTHGWPZQVDVIV-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001379247649 962461614 /nfs/dbraw/zinc/46/16/14/962461614.db2.gz NUJVCFTVJIVZNV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)C1(N(C)C)CCC1 ZINC001379383880 962788689 /nfs/dbraw/zinc/78/86/89/962788689.db2.gz RACKRURMTJYRNW-CYBMUJFWSA-N 1 3 320.437 0.464 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC001380161927 962802007 /nfs/dbraw/zinc/80/20/07/962802007.db2.gz XYCZNYNSZHTOKQ-STQMWFEESA-N 1 3 320.441 0.344 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001379412208 962868400 /nfs/dbraw/zinc/86/84/00/962868400.db2.gz CJIMMQUAJQIBGT-QPSCCSFWSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001379412208 962868411 /nfs/dbraw/zinc/86/84/11/962868411.db2.gz CJIMMQUAJQIBGT-QPSCCSFWSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001380330390 963044870 /nfs/dbraw/zinc/04/48/70/963044870.db2.gz VJOARLQUTGXIQC-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001380330390 963044883 /nfs/dbraw/zinc/04/48/83/963044883.db2.gz VJOARLQUTGXIQC-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001379524169 963124451 /nfs/dbraw/zinc/12/44/51/963124451.db2.gz YTWWLBGWEXZMGA-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(F)cc2)C1 ZINC001379530437 963136349 /nfs/dbraw/zinc/13/63/49/963136349.db2.gz SZZHTWGZZYOMDM-ZFWWWQNUSA-N 1 3 309.385 0.344 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(F)cc2)C1 ZINC001379530437 963136360 /nfs/dbraw/zinc/13/63/60/963136360.db2.gz SZZHTWGZZYOMDM-ZFWWWQNUSA-N 1 3 309.385 0.344 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001379598234 963243982 /nfs/dbraw/zinc/24/39/82/963243982.db2.gz KJPAXOOGAYECLP-ZFWWWQNUSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001379601549 963249951 /nfs/dbraw/zinc/24/99/51/963249951.db2.gz RQRUSWRCSMYJHP-NWDGAFQWSA-N 1 3 306.410 0.330 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379602765 963251536 /nfs/dbraw/zinc/25/15/36/963251536.db2.gz USEOYRWVPGDLAE-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(N)=O ZINC001380680193 963485827 /nfs/dbraw/zinc/48/58/27/963485827.db2.gz JLQLNUZPVJVELZ-XQLPTFJDSA-N 1 3 324.469 0.561 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(N)=O ZINC001380680193 963485843 /nfs/dbraw/zinc/48/58/43/963485843.db2.gz JLQLNUZPVJVELZ-XQLPTFJDSA-N 1 3 324.469 0.561 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001380939973 963698142 /nfs/dbraw/zinc/69/81/42/963698142.db2.gz RIPJKTIMZNGQCH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001380939973 963698147 /nfs/dbraw/zinc/69/81/47/963698147.db2.gz RIPJKTIMZNGQCH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001380942949 963700552 /nfs/dbraw/zinc/70/05/52/963700552.db2.gz YACQECCMQHWXSV-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001380942949 963700557 /nfs/dbraw/zinc/70/05/57/963700557.db2.gz YACQECCMQHWXSV-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001381111258 963821996 /nfs/dbraw/zinc/82/19/96/963821996.db2.gz OGODRUHVAWPRHY-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001381280801 963938060 /nfs/dbraw/zinc/93/80/60/963938060.db2.gz XHZFGXHABFEQPV-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001381280801 963938068 /nfs/dbraw/zinc/93/80/68/963938068.db2.gz XHZFGXHABFEQPV-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCO ZINC001381278329 963939137 /nfs/dbraw/zinc/93/91/37/963939137.db2.gz RQGNGVQUQUGPCI-NVXWUHKLSA-N 1 3 305.422 0.692 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCO ZINC001381278329 963939144 /nfs/dbraw/zinc/93/91/44/963939144.db2.gz RQGNGVQUQUGPCI-NVXWUHKLSA-N 1 3 305.422 0.692 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001368880201 964088049 /nfs/dbraw/zinc/08/80/49/964088049.db2.gz QFAAPTPMLMZCKX-QWHCGFSZSA-N 1 3 320.437 0.591 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)C(=O)N(C)C ZINC001375229968 964154425 /nfs/dbraw/zinc/15/44/25/964154425.db2.gz OSGAJFSJPWFUNC-SWLSCSKDSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCc1ccnn1C ZINC001368978863 964228924 /nfs/dbraw/zinc/22/89/24/964228924.db2.gz OFCXQHWKDTZGBX-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCc1ccnn1C ZINC001368978863 964228935 /nfs/dbraw/zinc/22/89/35/964228935.db2.gz OFCXQHWKDTZGBX-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001375558385 964551411 /nfs/dbraw/zinc/55/14/11/964551411.db2.gz SNULRHLRDLCOTI-IIAWOOMASA-N 1 3 321.469 0.787 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369281242 964648788 /nfs/dbraw/zinc/64/87/88/964648788.db2.gz BTRQZOPGQJQNBT-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369281242 964648793 /nfs/dbraw/zinc/64/87/93/964648793.db2.gz BTRQZOPGQJQNBT-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CNC[C@@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001373877623 964743613 /nfs/dbraw/zinc/74/36/13/964743613.db2.gz IUWABCCODFMEFA-WMLDXEAASA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001373877623 964743625 /nfs/dbraw/zinc/74/36/25/964743625.db2.gz IUWABCCODFMEFA-WMLDXEAASA-N 1 3 324.469 0.481 20 0 DCADHO COCCN(C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001447757831 1013521867 /nfs/dbraw/zinc/52/18/67/1013521867.db2.gz GAXIDIJUXCQAIN-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001369334347 964769830 /nfs/dbraw/zinc/76/98/30/964769830.db2.gz VFJPYIIBEACOKV-HZPDHXFCSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001375759079 964800427 /nfs/dbraw/zinc/80/04/27/964800427.db2.gz YTTMQLDTGXJFSK-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001373944958 964806718 /nfs/dbraw/zinc/80/67/18/964806718.db2.gz BNZBMYYYEONNEO-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001373970265 964834710 /nfs/dbraw/zinc/83/47/10/964834710.db2.gz IODKEPHXMOAJGV-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)C[C@H]1C ZINC001369407097 964913422 /nfs/dbraw/zinc/91/34/22/964913422.db2.gz YORJANOTAWVROE-TZMCWYRMSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001374099961 965014360 /nfs/dbraw/zinc/01/43/60/965014360.db2.gz SHILRHQIWBUJDV-HIFRSBDPSA-N 1 3 322.453 0.567 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]C[C@H](C)O)CCOCC1)N(C)C ZINC001375974473 965029099 /nfs/dbraw/zinc/02/90/99/965029099.db2.gz YRVBYHACYCTECY-KBPBESRZSA-N 1 3 315.458 0.208 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1)[NH+](C)C ZINC001374242975 965176118 /nfs/dbraw/zinc/17/61/18/965176118.db2.gz JVLVLOFEZHHPFF-HIFRSBDPSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCOC(C)C)C1)N(C)C ZINC001376097555 965193227 /nfs/dbraw/zinc/19/32/27/965193227.db2.gz VFYCDHOWDYYKNV-GDBMZVCRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCOC(C)C)C1)N(C)C ZINC001376097555 965193231 /nfs/dbraw/zinc/19/32/31/965193231.db2.gz VFYCDHOWDYYKNV-GDBMZVCRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001369581250 965194396 /nfs/dbraw/zinc/19/43/96/965194396.db2.gz GZHIMEYJVOKRSC-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374277826 965217007 /nfs/dbraw/zinc/21/70/07/965217007.db2.gz QZEMIDLFBJOUTE-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374287566 965230997 /nfs/dbraw/zinc/23/09/97/965230997.db2.gz NOIFJFOVVPOCKE-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001376253915 965440813 /nfs/dbraw/zinc/44/08/13/965440813.db2.gz UGIKHSJXJJCXFR-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO O=C(NC[C@H](O)CNCc1ccns1)[C@H]1C[NH+]2CCC1CC2 ZINC001374606071 965624576 /nfs/dbraw/zinc/62/45/76/965624576.db2.gz RAGSINTVJHUIQX-OCCSQVGLSA-N 1 3 324.450 0.052 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001376478766 965712222 /nfs/dbraw/zinc/71/22/22/965712222.db2.gz OQAGENLPAQCEOV-ZQDZILKHSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](F)CNC[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001374658667 965715281 /nfs/dbraw/zinc/71/52/81/965715281.db2.gz CQXIFBNBVQBJHY-GJZGRUSLSA-N 1 3 317.449 0.922 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001376613034 965891611 /nfs/dbraw/zinc/89/16/11/965891611.db2.gz LXRHMOISAFZOPM-HOCLYGCPSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001370232132 965909031 /nfs/dbraw/zinc/90/90/31/965909031.db2.gz XIYCLJDMMVBQOT-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21)N(C)C ZINC001376652741 965938843 /nfs/dbraw/zinc/93/88/43/965938843.db2.gz WRHMPVLCXACEDN-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21)N(C)C ZINC001376652741 965938850 /nfs/dbraw/zinc/93/88/50/965938850.db2.gz WRHMPVLCXACEDN-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001370278619 965952076 /nfs/dbraw/zinc/95/20/76/965952076.db2.gz WERAMEZMXWLBFM-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001374849002 966029828 /nfs/dbraw/zinc/02/98/28/966029828.db2.gz JULKWLMWOUJMNH-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001374870548 966063716 /nfs/dbraw/zinc/06/37/16/966063716.db2.gz BTMDFBKPRSHGHL-BPLDGKMQSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001374870548 966063730 /nfs/dbraw/zinc/06/37/30/966063730.db2.gz BTMDFBKPRSHGHL-BPLDGKMQSA-N 1 3 324.469 0.241 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001376729325 966077465 /nfs/dbraw/zinc/07/74/65/966077465.db2.gz FOUJIRHKYHKBQB-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001376729325 966077483 /nfs/dbraw/zinc/07/74/83/966077483.db2.gz FOUJIRHKYHKBQB-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CCCC[C@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001370406384 966086839 /nfs/dbraw/zinc/08/68/39/966086839.db2.gz SUIDVXBVJLEWOV-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001374933711 966154393 /nfs/dbraw/zinc/15/43/93/966154393.db2.gz MBHAMHDKHDSYIV-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001430626739 1013632916 /nfs/dbraw/zinc/63/29/16/1013632916.db2.gz GQYFAIBDNQTNFO-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)nc2)C1)N(C)C ZINC001370649559 966331606 /nfs/dbraw/zinc/33/16/06/966331606.db2.gz MRVUPAFAMADOOK-QLFBSQMISA-N 1 3 305.426 0.862 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001381424061 966402834 /nfs/dbraw/zinc/40/28/34/966402834.db2.gz UNCASGFVAOKGQR-WDEREUQCSA-N 1 3 308.430 0.438 20 0 DCADHO CCn1nnc(C)c1CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381424062 966403222 /nfs/dbraw/zinc/40/32/22/966403222.db2.gz UOAPGPCHUDJBAH-NEPJUHHUSA-N 1 3 310.446 0.541 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)CN1C(=O)CC[NH+](C)C ZINC001370898012 966574030 /nfs/dbraw/zinc/57/40/30/966574030.db2.gz SLMGCGPKMFKDFF-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370906456 966578202 /nfs/dbraw/zinc/57/82/02/966578202.db2.gz GOBIJMCGFDGYCC-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370906456 966578210 /nfs/dbraw/zinc/57/82/10/966578210.db2.gz GOBIJMCGFDGYCC-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370906455 966578379 /nfs/dbraw/zinc/57/83/79/966578379.db2.gz GOBIJMCGFDGYCC-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370906455 966578382 /nfs/dbraw/zinc/57/83/82/966578382.db2.gz GOBIJMCGFDGYCC-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370952440 966615309 /nfs/dbraw/zinc/61/53/09/966615309.db2.gz RPFZKUBSYIPKQF-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370952440 966615313 /nfs/dbraw/zinc/61/53/13/966615313.db2.gz RPFZKUBSYIPKQF-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NC2CC2)CC[N@@H+]1C ZINC001371188230 966795633 /nfs/dbraw/zinc/79/56/33/966795633.db2.gz PAOHGOKUSQKSSM-FPMFFAJLSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NC2CC2)CC[N@H+]1C ZINC001371188230 966795636 /nfs/dbraw/zinc/79/56/36/966795636.db2.gz PAOHGOKUSQKSSM-FPMFFAJLSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001381966474 966825403 /nfs/dbraw/zinc/82/54/03/966825403.db2.gz IVCXWIPEUGILRV-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@H](N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001371261881 966856759 /nfs/dbraw/zinc/85/67/59/966856759.db2.gz MUGHYOJAKNGNPG-KGLIPLIRSA-N 1 3 324.469 0.753 20 0 DCADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001382043847 966885003 /nfs/dbraw/zinc/88/50/03/966885003.db2.gz POXIQWNJYIRLFH-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)N1CCCC1)[NH+](C)C ZINC001371356775 966927029 /nfs/dbraw/zinc/92/70/29/966927029.db2.gz YXSQNYYURVFDCP-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001371387539 966954753 /nfs/dbraw/zinc/95/47/53/966954753.db2.gz QKBIGCJJMZKMPA-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001382137795 966973767 /nfs/dbraw/zinc/97/37/67/966973767.db2.gz KMUAIDQCYOGJOB-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371526737 967080767 /nfs/dbraw/zinc/08/07/67/967080767.db2.gz BWWCOBIJOYAXHJ-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CCC[C@H]1C ZINC001430738066 1013702999 /nfs/dbraw/zinc/70/29/99/1013702999.db2.gz IUXXPMAKWCYJNA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CCC[C@H]1C ZINC001430738065 1013703034 /nfs/dbraw/zinc/70/30/34/1013703034.db2.gz IUXXPMAKWCYJNA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC2CC2)C[C@@H]1C ZINC001382318415 967213778 /nfs/dbraw/zinc/21/37/78/967213778.db2.gz SBBOEDAARSSUFT-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCN2C)cn1 ZINC001371735122 967293565 /nfs/dbraw/zinc/29/35/65/967293565.db2.gz RNPITZHHRLDYIJ-IUODEOHRSA-N 1 3 305.426 0.864 20 0 DCADHO CN(C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C[C@@H]1CCCCO1 ZINC001382461744 967404987 /nfs/dbraw/zinc/40/49/87/967404987.db2.gz CBKVXFMGZOYKCS-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001371984237 967516181 /nfs/dbraw/zinc/51/61/81/967516181.db2.gz UQTLYTRAIKIKRP-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001371984237 967516186 /nfs/dbraw/zinc/51/61/86/967516186.db2.gz UQTLYTRAIKIKRP-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001430892761 1013782680 /nfs/dbraw/zinc/78/26/80/1013782680.db2.gz QKEFQUGMHXBVAQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)C1=O ZINC001372932380 968540714 /nfs/dbraw/zinc/54/07/14/968540714.db2.gz BEEVVSVTCPQKHX-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373188993 968796039 /nfs/dbraw/zinc/79/60/39/968796039.db2.gz RFOUOSXECIICDH-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO Cn1cncc1CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001373223908 968824128 /nfs/dbraw/zinc/82/41/28/968824128.db2.gz KWAQDPLFJORGLA-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001373273640 968881898 /nfs/dbraw/zinc/88/18/98/968881898.db2.gz GUGPZWDAUFRTMQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001373273640 968881903 /nfs/dbraw/zinc/88/19/03/968881903.db2.gz GUGPZWDAUFRTMQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001373464091 969125738 /nfs/dbraw/zinc/12/57/38/969125738.db2.gz KXLFPGJUNOUYNQ-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCn2cncn2)CC1 ZINC001448542372 1013947358 /nfs/dbraw/zinc/94/73/58/1013947358.db2.gz RAXJHYKTCWKQGW-UHFFFAOYSA-N 1 3 322.457 0.543 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC001448542372 1013947360 /nfs/dbraw/zinc/94/73/60/1013947360.db2.gz RAXJHYKTCWKQGW-UHFFFAOYSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)C)N(C)C ZINC001448558482 1013949819 /nfs/dbraw/zinc/94/98/19/1013949819.db2.gz NMPRWFOSDUPHIM-RDBSUJKOSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ncnn1C ZINC001448561595 1013951408 /nfs/dbraw/zinc/95/14/08/1013951408.db2.gz NPUXOSMUUWCEMO-UONOGXRCSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ncnn1C ZINC001448561595 1013951410 /nfs/dbraw/zinc/95/14/10/1013951410.db2.gz NPUXOSMUUWCEMO-UONOGXRCSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001431312113 1013991460 /nfs/dbraw/zinc/99/14/60/1013991460.db2.gz PGFGQKKNLVPCKL-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001448768462 1014031061 /nfs/dbraw/zinc/03/10/61/1014031061.db2.gz AUFKECXUMXTYJY-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO COc1cccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001448946266 1014104358 /nfs/dbraw/zinc/10/43/58/1014104358.db2.gz AMUQPOGOPHZRRB-HUUCEWRRSA-N 1 3 321.421 0.214 20 0 DCADHO COc1cccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001448946266 1014104360 /nfs/dbraw/zinc/10/43/60/1014104360.db2.gz AMUQPOGOPHZRRB-HUUCEWRRSA-N 1 3 321.421 0.214 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001522641379 1014268936 /nfs/dbraw/zinc/26/89/36/1014268936.db2.gz SXXTWRLDGXKXRQ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001522641379 1014268947 /nfs/dbraw/zinc/26/89/47/1014268947.db2.gz SXXTWRLDGXKXRQ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549507372 1014276730 /nfs/dbraw/zinc/27/67/30/1014276730.db2.gz LKWQSBXSZHJTMV-DZGCQCFKSA-N 1 3 320.441 0.680 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001522827465 1014405362 /nfs/dbraw/zinc/40/53/62/1014405362.db2.gz PYSZLWGWCVRERZ-QLFBSQMISA-N 1 3 315.458 0.569 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001522827465 1014405369 /nfs/dbraw/zinc/40/53/69/1014405369.db2.gz PYSZLWGWCVRERZ-QLFBSQMISA-N 1 3 315.458 0.569 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549730990 1014430499 /nfs/dbraw/zinc/43/04/99/1014430499.db2.gz LJZIGHJSVIPOKH-BBRMVZONSA-N 1 3 310.442 0.090 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549743753 1014440681 /nfs/dbraw/zinc/44/06/81/1014440681.db2.gz YFLIKVQJQAEYKE-MLGOLLRUSA-N 1 3 319.409 0.024 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CCC34CC(C3)C[NH2+]4)C2)nn1 ZINC001550062320 1014540668 /nfs/dbraw/zinc/54/06/68/1014540668.db2.gz GAXBREWSITWMRE-UGWHAMFMSA-N 1 3 318.425 0.433 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001550070020 1014550254 /nfs/dbraw/zinc/55/02/54/1014550254.db2.gz MWMLZLJFNWMFMC-HZPDHXFCSA-N 1 3 318.421 0.526 20 0 DCADHO N[C@H](CC1CC1)C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001550195422 1014621420 /nfs/dbraw/zinc/62/14/20/1014621420.db2.gz VPYWSPGAVOCCMS-TZMCWYRMSA-N 1 3 303.410 0.363 20 0 DCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200223 1014624934 /nfs/dbraw/zinc/62/49/34/1014624934.db2.gz DOHOQGQECKNFCZ-KGLIPLIRSA-N 1 3 324.469 0.692 20 0 DCADHO [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@@H]1Cc3ccccc3CN1)C2 ZINC001550757451 1014847354 /nfs/dbraw/zinc/84/73/54/1014847354.db2.gz PEMYCGINUSLWEH-ZOBUZTSGSA-N 1 3 300.406 0.834 20 0 DCADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@@H]1Cc3ccccc3CN1)C2 ZINC001550757448 1014848349 /nfs/dbraw/zinc/84/83/49/1014848349.db2.gz PEMYCGINUSLWEH-VYDXJSESSA-N 1 3 300.406 0.834 20 0 DCADHO Cc1nnsc1CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550913907 1014910043 /nfs/dbraw/zinc/91/00/43/1014910043.db2.gz QLNWYLCVCOXYOZ-FZMZJTMJSA-N 1 3 309.439 0.583 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC001550980033 1014928829 /nfs/dbraw/zinc/92/88/29/1014928829.db2.gz BYPLZALLCZMECD-CABCVRRESA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC001550980033 1014928840 /nfs/dbraw/zinc/92/88/40/1014928840.db2.gz BYPLZALLCZMECD-CABCVRRESA-N 1 3 310.442 0.585 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001383489974 984899063 /nfs/dbraw/zinc/89/90/63/984899063.db2.gz IDDWKYFSJKKJNF-QWHCGFSZSA-N 1 3 321.425 0.400 20 0 DCADHO [NH3+][C@H]1CC12CCC(NC(=O)N[C@H]1CCCN(CCCO)C1)CC2 ZINC001551566578 1015140835 /nfs/dbraw/zinc/14/08/35/1015140835.db2.gz GZUBHASQCJMALS-GWUWNPHMSA-N 1 3 324.469 0.792 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001450478377 1015165204 /nfs/dbraw/zinc/16/52/04/1015165204.db2.gz KRDIJQWEEODXNV-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001385187714 986145691 /nfs/dbraw/zinc/14/56/91/986145691.db2.gz FITSGWQDVDZGBQ-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001385348155 986280098 /nfs/dbraw/zinc/28/00/98/986280098.db2.gz QPSVJZNLYFXZDV-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001385348155 986280106 /nfs/dbraw/zinc/28/01/06/986280106.db2.gz QPSVJZNLYFXZDV-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385488357 986380548 /nfs/dbraw/zinc/38/05/48/986380548.db2.gz OPIJLVPKKGWKPH-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385488357 986380554 /nfs/dbraw/zinc/38/05/54/986380554.db2.gz OPIJLVPKKGWKPH-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001385629207 986484566 /nfs/dbraw/zinc/48/45/66/986484566.db2.gz UARIZLWUZGZBLY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001385629207 986484570 /nfs/dbraw/zinc/48/45/70/986484570.db2.gz UARIZLWUZGZBLY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](NC(=O)N2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC001552063568 1015253700 /nfs/dbraw/zinc/25/37/00/1015253700.db2.gz SEHRFMNIMSYLCS-HRCADAONSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001386101630 986830828 /nfs/dbraw/zinc/83/08/28/986830828.db2.gz SMNNPJQJLJGEPJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001386484466 987171931 /nfs/dbraw/zinc/17/19/31/987171931.db2.gz ZVJHDRUDJKWDRH-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[C@@H](N2CCCC2)C1 ZINC001552180834 1015308248 /nfs/dbraw/zinc/30/82/48/1015308248.db2.gz UUTYNRZQICDTLI-QWHCGFSZSA-N 1 3 304.398 0.123 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001387741467 988107964 /nfs/dbraw/zinc/10/79/64/988107964.db2.gz MTNWPCDJGBOIEW-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)C1(N(C)C)CCC1 ZINC001388458444 988332097 /nfs/dbraw/zinc/33/20/97/988332097.db2.gz SNAYOWWUEZEDGF-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001388791805 988596073 /nfs/dbraw/zinc/59/60/73/988596073.db2.gz HFSXLCXDGBHOPY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001388791805 988596078 /nfs/dbraw/zinc/59/60/78/988596078.db2.gz HFSXLCXDGBHOPY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1C ZINC001388984153 988715652 /nfs/dbraw/zinc/71/56/52/988715652.db2.gz OHCFJHRLIYOVGI-KFWWJZLASA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1C ZINC001388984153 988715658 /nfs/dbraw/zinc/71/56/58/988715658.db2.gz OHCFJHRLIYOVGI-KFWWJZLASA-N 1 3 324.469 0.338 20 0 DCADHO COCCN1CCC(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC001552434617 1015431820 /nfs/dbraw/zinc/43/18/20/1015431820.db2.gz SMMLGBFDLQIDOM-GFCCVEGCSA-N 1 3 321.425 0.327 20 0 DCADHO CC(C)C[NH+]1CCN(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001389410203 989204473 /nfs/dbraw/zinc/20/44/73/989204473.db2.gz LXOHRNPJXCKCOK-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](NCc1cnnn1C)C1CC1)[NH+](C)C ZINC001389700211 989499512 /nfs/dbraw/zinc/49/95/12/989499512.db2.gz ZFTFPNNBHNZJEG-CABCVRRESA-N 1 3 322.457 0.386 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001389818948 989609440 /nfs/dbraw/zinc/60/94/40/989609440.db2.gz IDYIMGBAHHEPJP-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001389894153 989668338 /nfs/dbraw/zinc/66/83/38/989668338.db2.gz CNOFOWCDFHHCHR-DZKIICNBSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001389913683 989679105 /nfs/dbraw/zinc/67/91/05/989679105.db2.gz LAGCKJQMMFSWHZ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ncn2)C1 ZINC001390012500 989745852 /nfs/dbraw/zinc/74/58/52/989745852.db2.gz XFFOFXXCVGRRKK-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cc(C)ncn2)C1 ZINC001390012500 989745862 /nfs/dbraw/zinc/74/58/62/989745862.db2.gz XFFOFXXCVGRRKK-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001390119273 989839411 /nfs/dbraw/zinc/83/94/11/989839411.db2.gz VBJDOQSBIYPSHF-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001390264834 989945297 /nfs/dbraw/zinc/94/52/97/989945297.db2.gz JAPNFAVLDYXUNX-NFOMZHRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NCC1CC1 ZINC001390359593 990025361 /nfs/dbraw/zinc/02/53/61/990025361.db2.gz JJZCLJGSARXPPO-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NCC1CC1 ZINC001390359593 990025365 /nfs/dbraw/zinc/02/53/65/990025365.db2.gz JJZCLJGSARXPPO-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001390475491 990133011 /nfs/dbraw/zinc/13/30/11/990133011.db2.gz UYFZPGRAQCWDBK-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001390511500 990162105 /nfs/dbraw/zinc/16/21/05/990162105.db2.gz PWLIGDVHHPHEOY-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001390511500 990162107 /nfs/dbraw/zinc/16/21/07/990162107.db2.gz PWLIGDVHHPHEOY-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390588782 990223820 /nfs/dbraw/zinc/22/38/20/990223820.db2.gz KOHVTZUCSUIQLZ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001390593333 990229170 /nfs/dbraw/zinc/22/91/70/990229170.db2.gz OJGWTZZHVMGTOJ-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@H]21 ZINC001553032469 1015594047 /nfs/dbraw/zinc/59/40/47/1015594047.db2.gz KCTXUONPMNKJNR-VNQPRFMTSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@H]21 ZINC001553032469 1015594059 /nfs/dbraw/zinc/59/40/59/1015594059.db2.gz KCTXUONPMNKJNR-VNQPRFMTSA-N 1 3 322.453 0.585 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001391562350 990953004 /nfs/dbraw/zinc/95/30/04/990953004.db2.gz UBQFUDLUJXKPQC-JKSUJKDBSA-N 1 3 305.422 0.862 20 0 DCADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001391698066 991109650 /nfs/dbraw/zinc/10/96/50/991109650.db2.gz XVZZKNFOGPTWRT-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001391698066 991109657 /nfs/dbraw/zinc/10/96/57/991109657.db2.gz XVZZKNFOGPTWRT-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001391698069 991109877 /nfs/dbraw/zinc/10/98/77/991109877.db2.gz XVZZKNFOGPTWRT-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001391698069 991109885 /nfs/dbraw/zinc/10/98/85/991109885.db2.gz XVZZKNFOGPTWRT-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C1CC1 ZINC001391721924 991132859 /nfs/dbraw/zinc/13/28/59/991132859.db2.gz NJNSKZAOWRCNRE-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H]([NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1)C(N)=O ZINC001391764022 991166755 /nfs/dbraw/zinc/16/67/55/991166755.db2.gz APQBFKRCPGHFLJ-AWEZNQCLSA-N 1 3 324.469 0.753 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)N2CCC2)CCC1 ZINC001391862857 991235241 /nfs/dbraw/zinc/23/52/41/991235241.db2.gz VARMGEHZIMZHOJ-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)CNCc1nccn1C)[NH+](C)C ZINC001391950774 991319961 /nfs/dbraw/zinc/31/99/61/991319961.db2.gz OSGQPKQEBXTSOC-HIFRSBDPSA-N 1 3 309.458 0.848 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392100786 991493261 /nfs/dbraw/zinc/49/32/61/991493261.db2.gz NTHJMKPQQZVRJQ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392100786 991493265 /nfs/dbraw/zinc/49/32/65/991493265.db2.gz NTHJMKPQQZVRJQ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392137468 991534741 /nfs/dbraw/zinc/53/47/41/991534741.db2.gz YOCYMDNURVNTHB-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392137468 991534750 /nfs/dbraw/zinc/53/47/50/991534750.db2.gz YOCYMDNURVNTHB-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001392326915 991757094 /nfs/dbraw/zinc/75/70/94/991757094.db2.gz NXNNJBWYSJHKMQ-KGLIPLIRSA-N 1 3 320.441 0.107 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001392326915 991757105 /nfs/dbraw/zinc/75/71/05/991757105.db2.gz NXNNJBWYSJHKMQ-KGLIPLIRSA-N 1 3 320.441 0.107 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392427726 991917689 /nfs/dbraw/zinc/91/76/89/991917689.db2.gz VEPSNRNXZUCZGV-ZBFHGGJFSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392427726 991917698 /nfs/dbraw/zinc/91/76/98/991917698.db2.gz VEPSNRNXZUCZGV-ZBFHGGJFSA-N 1 3 320.437 0.299 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001392450540 991943835 /nfs/dbraw/zinc/94/38/35/991943835.db2.gz WPFRBKNWQXWKOO-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392483131 991987300 /nfs/dbraw/zinc/98/73/00/991987300.db2.gz XWEMHVYQKAMKTK-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392483131 991987310 /nfs/dbraw/zinc/98/73/10/991987310.db2.gz XWEMHVYQKAMKTK-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCCC1)NC(=O)CC[NH+](C)C ZINC001392506973 992021736 /nfs/dbraw/zinc/02/17/36/992021736.db2.gz ZJLDBHKJGSVMQX-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001392537695 992063091 /nfs/dbraw/zinc/06/30/91/992063091.db2.gz OUYZQECBLNNQMK-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001392775129 992380306 /nfs/dbraw/zinc/38/03/06/992380306.db2.gz RSVRQEFDUVFEOB-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCn2cncn2)CC1)CC(C)(C)C ZINC001392932349 992559079 /nfs/dbraw/zinc/55/90/79/992559079.db2.gz IYQNVLWYJISYQH-UHFFFAOYSA-N 1 3 322.457 0.494 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001393052434 992652620 /nfs/dbraw/zinc/65/26/20/992652620.db2.gz SKRBPINNJOLVJY-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393389401 992936625 /nfs/dbraw/zinc/93/66/25/992936625.db2.gz KGZSQASTFMWVIU-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001393549688 993074341 /nfs/dbraw/zinc/07/43/41/993074341.db2.gz WABWIHWNOOABMT-UHFFFAOYSA-N 1 3 324.469 0.753 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001393549688 993074348 /nfs/dbraw/zinc/07/43/48/993074348.db2.gz WABWIHWNOOABMT-UHFFFAOYSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001393620138 993132512 /nfs/dbraw/zinc/13/25/12/993132512.db2.gz SEDIRZFCUNMHBU-LSDHHAIUSA-N 1 3 324.469 0.372 20 0 DCADHO CCCC[C@H](CN[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001394205903 993540442 /nfs/dbraw/zinc/54/04/42/993540442.db2.gz PPGFKWDXNQARAA-UONOGXRCSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001394381228 993666445 /nfs/dbraw/zinc/66/64/45/993666445.db2.gz NFAJIWCQAJMZGB-SHTZXODSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394525426 993796331 /nfs/dbraw/zinc/79/63/31/993796331.db2.gz YWZBVBQGTAZGSB-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001394528415 993800702 /nfs/dbraw/zinc/80/07/02/993800702.db2.gz MCLWPHXEMGKFLT-DOMZBBRYSA-N 1 3 324.473 0.672 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001394536665 993807895 /nfs/dbraw/zinc/80/78/95/993807895.db2.gz DBSPOSWJNGZXGQ-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001394664673 993992620 /nfs/dbraw/zinc/99/26/20/993992620.db2.gz BXWQHIWOZBESJD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)CN1CCCC1 ZINC001394678209 994009624 /nfs/dbraw/zinc/00/96/24/994009624.db2.gz NUJVPJGFLKVMBU-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)[C@H]1C ZINC001394677930 994010398 /nfs/dbraw/zinc/01/03/98/994010398.db2.gz NFQWXVAUQQCHMN-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001400056213 994113133 /nfs/dbraw/zinc/11/31/33/994113133.db2.gz PVEFEKLAIPDPHQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001400056213 994113137 /nfs/dbraw/zinc/11/31/37/994113137.db2.gz PVEFEKLAIPDPHQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H](CN[C@H]2CCNC2=O)C(C)(C)C)CC1 ZINC001394829842 994192071 /nfs/dbraw/zinc/19/20/71/994192071.db2.gz INNIRWZQRBUJLD-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC001394846059 994209278 /nfs/dbraw/zinc/20/92/78/994209278.db2.gz VTKBYFRWIVRUQG-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001395302220 994575888 /nfs/dbraw/zinc/57/58/88/994575888.db2.gz FHFTZGFKRQCWRG-JSGCOSHPSA-N 1 3 312.458 0.241 20 0 DCADHO COC[C@H](O)CN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001400612253 994705411 /nfs/dbraw/zinc/70/54/11/994705411.db2.gz HWQQTVUVRPNPNN-SOUVJXGZSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@H](O)CN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001400612253 994705422 /nfs/dbraw/zinc/70/54/22/994705422.db2.gz HWQQTVUVRPNPNN-SOUVJXGZSA-N 1 3 313.442 0.059 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001417065486 994715122 /nfs/dbraw/zinc/71/51/22/994715122.db2.gz RRASREKLXUGLNM-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001417065486 994715130 /nfs/dbraw/zinc/71/51/30/994715130.db2.gz RRASREKLXUGLNM-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001507011389 1015888412 /nfs/dbraw/zinc/88/84/12/1015888412.db2.gz MKTJAONVGQCHHW-WCQYABFASA-N 1 3 310.442 0.171 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)CCC[NH+](C)C)cn1 ZINC001401087036 995161975 /nfs/dbraw/zinc/16/19/75/995161975.db2.gz KVKZKDNZNRZABW-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397200849 995861150 /nfs/dbraw/zinc/86/11/50/995861150.db2.gz FGGHPLLGLPMPHK-IHRRRGAJSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397200849 995861156 /nfs/dbraw/zinc/86/11/56/995861156.db2.gz FGGHPLLGLPMPHK-IHRRRGAJSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001417040819 995885645 /nfs/dbraw/zinc/88/56/45/995885645.db2.gz NKUCMSWRAFINRS-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001417040819 995885648 /nfs/dbraw/zinc/88/56/48/995885648.db2.gz NKUCMSWRAFINRS-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001397987131 996297088 /nfs/dbraw/zinc/29/70/88/996297088.db2.gz PLJDCILDPQKYKS-ZIAGYGMSSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001397987131 996297095 /nfs/dbraw/zinc/29/70/95/996297095.db2.gz PLJDCILDPQKYKS-ZIAGYGMSSA-N 1 3 312.458 0.099 20 0 DCADHO CCN(CC)CC(=O)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001398100356 996364634 /nfs/dbraw/zinc/36/46/34/996364634.db2.gz SSFLVWXGVBVIJU-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001398100356 996364640 /nfs/dbraw/zinc/36/46/40/996364640.db2.gz SSFLVWXGVBVIJU-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001398118256 996372154 /nfs/dbraw/zinc/37/21/54/996372154.db2.gz RGYPUQDEIPJEJH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001398118256 996372158 /nfs/dbraw/zinc/37/21/58/996372158.db2.gz RGYPUQDEIPJEJH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001398216448 996414774 /nfs/dbraw/zinc/41/47/74/996414774.db2.gz QIQMRHGAXPTEJE-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccnn1C)C1CC1)N(C)C ZINC001398448217 996521047 /nfs/dbraw/zinc/52/10/47/996521047.db2.gz HCWCCRZIUPXVNQ-GJZGRUSLSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001398477579 996535990 /nfs/dbraw/zinc/53/59/90/996535990.db2.gz SHGILWJFMQYSPP-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001398516856 996549233 /nfs/dbraw/zinc/54/92/33/996549233.db2.gz QMXORQZBIFGDKS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398516856 996549235 /nfs/dbraw/zinc/54/92/35/996549235.db2.gz QMXORQZBIFGDKS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001398524973 996553222 /nfs/dbraw/zinc/55/32/22/996553222.db2.gz OYJPRKKKYXXPIU-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1)N(C)C ZINC001398634030 996614322 /nfs/dbraw/zinc/61/43/22/996614322.db2.gz IITXKXIQOOJEOO-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1)N(C)C ZINC001398634030 996614325 /nfs/dbraw/zinc/61/43/25/996614325.db2.gz IITXKXIQOOJEOO-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001398632614 996614574 /nfs/dbraw/zinc/61/45/74/996614574.db2.gz YTUNMEGCZUTRHA-RFQIPJPRSA-N 1 3 310.442 0.088 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NCC1CC1 ZINC001398756117 996673956 /nfs/dbraw/zinc/67/39/56/996673956.db2.gz FVGDFHCYPLFVFI-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NCC1CC1 ZINC001398956143 996773763 /nfs/dbraw/zinc/77/37/63/996773763.db2.gz ULAQMSVMDUXVLL-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO COc1ncc(CN[C@@H](C)CNC(=O)CC[NH+](C)C)c(C)n1 ZINC001399023265 996845607 /nfs/dbraw/zinc/84/56/07/996845607.db2.gz JGVQJDDHXOSKKA-NSHDSACASA-N 1 3 309.414 0.340 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001399114259 996985062 /nfs/dbraw/zinc/98/50/62/996985062.db2.gz MNQHJGDXKCZPOQ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H]([NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001404364491 997036732 /nfs/dbraw/zinc/03/67/32/997036732.db2.gz BAACZLGAGKUNKQ-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001399269986 997141162 /nfs/dbraw/zinc/14/11/62/997141162.db2.gz DDRWJOGRPCTNON-HUUCEWRRSA-N 1 3 324.469 0.622 20 0 DCADHO CCn1ccc(CN[C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001399417289 997335514 /nfs/dbraw/zinc/33/55/14/997335514.db2.gz PMZBSYBLKQMZLK-CQSZACIVSA-N 1 3 319.453 0.983 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001507197606 1016114252 /nfs/dbraw/zinc/11/42/52/1016114252.db2.gz BZSDSWIIVKTHCY-HYVNUMGLSA-N 1 3 319.449 0.902 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001507197606 1016114256 /nfs/dbraw/zinc/11/42/56/1016114256.db2.gz BZSDSWIIVKTHCY-HYVNUMGLSA-N 1 3 319.449 0.902 20 0 DCADHO C[C@H](O)CCCN1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001404904345 997579887 /nfs/dbraw/zinc/57/98/87/997579887.db2.gz IJVSRUGMHGVNHM-AWEZNQCLSA-N 1 3 311.470 0.927 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)NCc1ccc(Cl)cc1 ZINC001507231509 1016155970 /nfs/dbraw/zinc/15/59/70/1016155970.db2.gz HYTMKYYNDSTJEP-CQSZACIVSA-N 1 3 313.829 0.858 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001405385688 998178294 /nfs/dbraw/zinc/17/82/94/998178294.db2.gz PIISFHLAHWPGMH-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C ZINC001405677260 998463935 /nfs/dbraw/zinc/46/39/35/998463935.db2.gz NOLVXWHTOLNTPS-UKRRQHHQSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1)N(C)C ZINC001405753734 998537289 /nfs/dbraw/zinc/53/72/89/998537289.db2.gz KHSAQVITVPYRJO-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@H]1C ZINC001507297376 1016227337 /nfs/dbraw/zinc/22/73/37/1016227337.db2.gz MPUIANMSXGTPCL-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)CN(C)C1CCC1 ZINC001511263714 1016239788 /nfs/dbraw/zinc/23/97/88/1016239788.db2.gz LQNLDURAMAWFJD-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001401129977 1000213774 /nfs/dbraw/zinc/21/37/74/1000213774.db2.gz RARWFFNKDDBXNG-ZDUSSCGKSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001401129976 1000214621 /nfs/dbraw/zinc/21/46/21/1000214621.db2.gz RARWFFNKDDBXNG-CYBMUJFWSA-N 1 3 319.453 0.969 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001401241101 1000299750 /nfs/dbraw/zinc/29/97/50/1000299750.db2.gz RGKOPKBDIWFBHN-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO CN(CC[N@H+](C)CCc1cnn(C)c1)C(=O)CN(C)C1CCC1 ZINC001401368335 1000384908 /nfs/dbraw/zinc/38/49/08/1000384908.db2.gz LKPCXCWKPWRFTF-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CC[N@@H+](C)CCc1cnn(C)c1)C(=O)CN(C)C1CCC1 ZINC001401368335 1000384913 /nfs/dbraw/zinc/38/49/13/1000384913.db2.gz LKPCXCWKPWRFTF-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001418661654 1000429958 /nfs/dbraw/zinc/42/99/58/1000429958.db2.gz ADOYXNDBGLCVIW-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001401565905 1000502079 /nfs/dbraw/zinc/50/20/79/1000502079.db2.gz XDAHROMJPWNHQD-INIZCTEOSA-N 1 3 320.437 0.299 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401596807 1000531075 /nfs/dbraw/zinc/53/10/75/1000531075.db2.gz OPDZFRGSOCHECA-CHWSQXEVSA-N 1 3 300.447 0.145 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(C(C)C)C1=O)C(=O)[C@H]1CCCN1C ZINC001401600946 1000535959 /nfs/dbraw/zinc/53/59/59/1000535959.db2.gz UBBCSYHFVHPNFQ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401627347 1000565863 /nfs/dbraw/zinc/56/58/63/1000565863.db2.gz KLNUIWOGMKHOTG-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401627347 1000565870 /nfs/dbraw/zinc/56/58/70/1000565870.db2.gz KLNUIWOGMKHOTG-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001401653398 1000593056 /nfs/dbraw/zinc/59/30/56/1000593056.db2.gz QBPKZRKFKXZZTN-DOMZBBRYSA-N 1 3 318.421 0.345 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401673405 1000613644 /nfs/dbraw/zinc/61/36/44/1000613644.db2.gz ZUQQRPFXYKCVMT-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401673405 1000613648 /nfs/dbraw/zinc/61/36/48/1000613648.db2.gz ZUQQRPFXYKCVMT-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001418916488 1000613999 /nfs/dbraw/zinc/61/39/99/1000613999.db2.gz VVRIXNHHTRUIBS-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001418916488 1000614001 /nfs/dbraw/zinc/61/40/01/1000614001.db2.gz VVRIXNHHTRUIBS-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN1CC[C@H](N(C)C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001418936504 1000632346 /nfs/dbraw/zinc/63/23/46/1000632346.db2.gz GQICSTBMWOTKBJ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@@H]1CCCNC1=O ZINC001418939367 1000634152 /nfs/dbraw/zinc/63/41/52/1000634152.db2.gz MMRFOWVYQQAJDE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)Cc1ccc(C(N)=O)cc1)NC(=O)CC[NH+](C)C ZINC001401783171 1000722516 /nfs/dbraw/zinc/72/25/16/1000722516.db2.gz PPEYFMKLLWNMHW-ZDUSSCGKSA-N 1 3 320.437 0.674 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001401864530 1000797767 /nfs/dbraw/zinc/79/77/67/1000797767.db2.gz GSZDNTNKEAWXKY-ZFWWWQNUSA-N 1 3 310.442 0.077 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401879835 1000812392 /nfs/dbraw/zinc/81/23/92/1000812392.db2.gz VNXREUDGIXKRPI-HNNXBMFYSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001419192112 1000868381 /nfs/dbraw/zinc/86/83/81/1000868381.db2.gz BNBWMNGHWMFBPX-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001419192112 1000868386 /nfs/dbraw/zinc/86/83/86/1000868386.db2.gz BNBWMNGHWMFBPX-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)N1CCC1 ZINC001419200189 1000874074 /nfs/dbraw/zinc/87/40/74/1000874074.db2.gz SCIKZFPVAQXFAS-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001401951729 1000894276 /nfs/dbraw/zinc/89/42/76/1000894276.db2.gz ZCZYUQCPHYZLNZ-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001401951729 1000894281 /nfs/dbraw/zinc/89/42/81/1000894281.db2.gz ZCZYUQCPHYZLNZ-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001401978233 1000921834 /nfs/dbraw/zinc/92/18/34/1000921834.db2.gz BTPMXSAREWQVKV-CZUORRHYSA-N 1 3 318.421 0.926 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001402082439 1001001694 /nfs/dbraw/zinc/00/16/94/1001001694.db2.gz UFEAQTDLSZRXNF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC001419378504 1001009637 /nfs/dbraw/zinc/00/96/37/1001009637.db2.gz SNNMRXTWEMRTCX-ZQDZILKHSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC001419378499 1001009795 /nfs/dbraw/zinc/00/97/95/1001009795.db2.gz SNNMRXTWEMRTCX-KBUPBQIOSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001419383600 1001012755 /nfs/dbraw/zinc/01/27/55/1001012755.db2.gz CJQPDBJAMRQORP-ZQDZILKHSA-N 1 3 324.469 0.478 20 0 DCADHO CNC(=O)[C@@H](C)[NH+]1CCC(CCNC(=O)CN2CCCC2)CC1 ZINC001419418393 1001035695 /nfs/dbraw/zinc/03/56/95/1001035695.db2.gz XHQHBEDMFDSCGO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001419605976 1001168868 /nfs/dbraw/zinc/16/88/68/1001168868.db2.gz JBPIAYZQWUXNBY-KBPBESRZSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)CC[NH+](C)C ZINC001419706333 1001236697 /nfs/dbraw/zinc/23/66/97/1001236697.db2.gz HDBJIZNNZJPHNZ-LLVKDONJSA-N 1 3 308.430 0.570 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419740628 1001269596 /nfs/dbraw/zinc/26/95/96/1001269596.db2.gz CGXQWPIBRMNBFP-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419740628 1001269602 /nfs/dbraw/zinc/26/96/02/1001269602.db2.gz CGXQWPIBRMNBFP-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001419812647 1001328751 /nfs/dbraw/zinc/32/87/51/1001328751.db2.gz CACYBODJYDMHQZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001419817713 1001332031 /nfs/dbraw/zinc/33/20/31/1001332031.db2.gz IMTILDWWDZWTPJ-OCCSQVGLSA-N 1 3 321.425 0.257 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)N2CCC2)C1 ZINC001419851636 1001355938 /nfs/dbraw/zinc/35/59/38/1001355938.db2.gz WRIGYRPHFZYDHG-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)N2CCC2)C1 ZINC001419851636 1001355945 /nfs/dbraw/zinc/35/59/45/1001355945.db2.gz WRIGYRPHFZYDHG-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001402511540 1001371448 /nfs/dbraw/zinc/37/14/48/1001371448.db2.gz VQULIPRVSIVOBM-IHRRRGAJSA-N 1 3 312.458 0.465 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001402531746 1001387550 /nfs/dbraw/zinc/38/75/50/1001387550.db2.gz BJTVHIVNCPGQOR-SHTZXODSSA-N 1 3 320.437 0.464 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001402611300 1001440672 /nfs/dbraw/zinc/44/06/72/1001440672.db2.gz PSLPXJZWYQMMIN-OKILXGFUSA-N 1 3 322.457 0.685 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COC)CC1)N(C)C ZINC001402639114 1001455333 /nfs/dbraw/zinc/45/53/33/1001455333.db2.gz RGYRPZSOIHBZLL-ILXRZTDVSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COC)CC1)N(C)C ZINC001402639114 1001455337 /nfs/dbraw/zinc/45/53/37/1001455337.db2.gz RGYRPZSOIHBZLL-ILXRZTDVSA-N 1 3 315.458 0.305 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001402776477 1001498008 /nfs/dbraw/zinc/49/80/08/1001498008.db2.gz WVDGMCJUSUTAAU-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001402882366 1001553834 /nfs/dbraw/zinc/55/38/34/1001553834.db2.gz NRUKNENPORMYNM-IUODEOHRSA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001403090797 1001670122 /nfs/dbraw/zinc/67/01/22/1001670122.db2.gz VWWQTFWFDBSNGL-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H](C)C(=O)N(C)C ZINC001403170667 1001705718 /nfs/dbraw/zinc/70/57/18/1001705718.db2.gz TUDKXDQXXBFFJK-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001419975436 1001736822 /nfs/dbraw/zinc/73/68/22/1001736822.db2.gz JNORHYQSPFIYBS-GJZGRUSLSA-N 1 3 324.469 0.526 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCCC1 ZINC001403262788 1001768187 /nfs/dbraw/zinc/76/81/87/1001768187.db2.gz KOYAIIIDKJKOBX-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001420061310 1001794144 /nfs/dbraw/zinc/79/41/44/1001794144.db2.gz NKQJNLIBRVVWMI-CQSZACIVSA-N 1 3 322.457 0.496 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001420061310 1001794148 /nfs/dbraw/zinc/79/41/48/1001794148.db2.gz NKQJNLIBRVVWMI-CQSZACIVSA-N 1 3 322.457 0.496 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001420070989 1001803782 /nfs/dbraw/zinc/80/37/82/1001803782.db2.gz BHYGMDULQXTRJY-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403344003 1001844329 /nfs/dbraw/zinc/84/43/29/1001844329.db2.gz UTUYZNVLJRKYIX-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001424797462 1002034255 /nfs/dbraw/zinc/03/42/55/1002034255.db2.gz MDNRPBGFKFBYGN-VXGBXAGGSA-N 1 3 310.442 0.232 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420239999 1002096752 /nfs/dbraw/zinc/09/67/52/1002096752.db2.gz DVZFRWHUYAXYSN-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420239999 1002096763 /nfs/dbraw/zinc/09/67/63/1002096763.db2.gz DVZFRWHUYAXYSN-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](N[C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001403606631 1002198872 /nfs/dbraw/zinc/19/88/72/1002198872.db2.gz NWJFQQQCXWVNDS-TZMCWYRMSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](N[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001403606624 1002201065 /nfs/dbraw/zinc/20/10/65/1002201065.db2.gz NWJFQQQCXWVNDS-JSGCOSHPSA-N 1 3 312.458 0.419 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001420332423 1002239277 /nfs/dbraw/zinc/23/92/77/1002239277.db2.gz CCIMZBSCAFMHOJ-HNNXBMFYSA-N 1 3 321.469 0.835 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001420332423 1002239285 /nfs/dbraw/zinc/23/92/85/1002239285.db2.gz CCIMZBSCAFMHOJ-HNNXBMFYSA-N 1 3 321.469 0.835 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001403679059 1002333780 /nfs/dbraw/zinc/33/37/80/1002333780.db2.gz MAOFNAQXPGCCLV-HUUCEWRRSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001425226641 1002457913 /nfs/dbraw/zinc/45/79/13/1002457913.db2.gz FZTMQKHEUYMXAH-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(=O)NC3CC3)C(C)(C)C2)C1 ZINC001403836889 1002603729 /nfs/dbraw/zinc/60/37/29/1002603729.db2.gz OUCOMIIWXBNWIB-TZMCWYRMSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(=O)NC3CC3)C(C)(C)C2)C1 ZINC001403836889 1002603737 /nfs/dbraw/zinc/60/37/37/1002603737.db2.gz OUCOMIIWXBNWIB-TZMCWYRMSA-N 1 3 322.453 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@H](C)C(N)=O)C(C)(C)C ZINC001403960272 1002801836 /nfs/dbraw/zinc/80/18/36/1002801836.db2.gz NLQLCQZXIJDDKP-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@H](C)C(N)=O)C(C)(C)C ZINC001403960272 1002801852 /nfs/dbraw/zinc/80/18/52/1002801852.db2.gz NLQLCQZXIJDDKP-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001403962137 1002807373 /nfs/dbraw/zinc/80/73/73/1002807373.db2.gz HBAPWVLQEZNAPW-KGLIPLIRSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001420712831 1002835200 /nfs/dbraw/zinc/83/52/00/1002835200.db2.gz BODZOPUOUIRQAY-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001420712831 1002835205 /nfs/dbraw/zinc/83/52/05/1002835205.db2.gz BODZOPUOUIRQAY-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001420733293 1002881877 /nfs/dbraw/zinc/88/18/77/1002881877.db2.gz WVQBYHSUZZFELU-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CN1C(=O)CN1CCCC1 ZINC001425617154 1002900396 /nfs/dbraw/zinc/90/03/96/1002900396.db2.gz XNHVDJWMJNTXPI-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001404082812 1002984545 /nfs/dbraw/zinc/98/45/45/1002984545.db2.gz UQIROEVMONXSSM-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CC[C@@H]2CCOC2)CC1 ZINC001420856063 1003039938 /nfs/dbraw/zinc/03/99/38/1003039938.db2.gz ATWGXPMQIQPRHQ-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO Cn1nccc1CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001420883944 1003083045 /nfs/dbraw/zinc/08/30/45/1003083045.db2.gz KHJJBUUNADTQIN-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1nccc1CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420883944 1003083057 /nfs/dbraw/zinc/08/30/57/1003083057.db2.gz KHJJBUUNADTQIN-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC001420894386 1003099221 /nfs/dbraw/zinc/09/92/21/1003099221.db2.gz RBLPROAXHADDGX-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC001420894386 1003099231 /nfs/dbraw/zinc/09/92/31/1003099231.db2.gz RBLPROAXHADDGX-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001420897518 1003106891 /nfs/dbraw/zinc/10/68/91/1003106891.db2.gz UXXSBPXOXCWWJV-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001420897518 1003106896 /nfs/dbraw/zinc/10/68/96/1003106896.db2.gz UXXSBPXOXCWWJV-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001405856710 1003145821 /nfs/dbraw/zinc/14/58/21/1003145821.db2.gz CKBPIRMXEHNKKY-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CNC(=O)[C@H](C)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001420945538 1003162775 /nfs/dbraw/zinc/16/27/75/1003162775.db2.gz ONIKMQCOEBNUKN-STQMWFEESA-N 1 3 310.442 0.232 20 0 DCADHO CNC(=O)[C@H](C)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001420945538 1003162780 /nfs/dbraw/zinc/16/27/80/1003162780.db2.gz ONIKMQCOEBNUKN-STQMWFEESA-N 1 3 310.442 0.232 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405879803 1003169945 /nfs/dbraw/zinc/16/99/45/1003169945.db2.gz ATWHCOLBFBQBCA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405879803 1003169951 /nfs/dbraw/zinc/16/99/51/1003169951.db2.gz ATWHCOLBFBQBCA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001420966178 1003183421 /nfs/dbraw/zinc/18/34/21/1003183421.db2.gz SVVKOMADUKJUQI-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NCC2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001425883499 1003221084 /nfs/dbraw/zinc/22/10/84/1003221084.db2.gz RHNLPORWQWEULC-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(N)=O ZINC001406005973 1003258069 /nfs/dbraw/zinc/25/80/69/1003258069.db2.gz VJIQRPLTGMJFHC-AAEUAGOBSA-N 1 3 307.398 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC2CCCC2)C1 ZINC001426044869 1003370029 /nfs/dbraw/zinc/37/00/29/1003370029.db2.gz NADCYWOFRROABT-ZBFHGGJFSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001421196279 1003430265 /nfs/dbraw/zinc/43/02/65/1003430265.db2.gz ZKGVMUYNFKSRAQ-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001421196279 1003430271 /nfs/dbraw/zinc/43/02/71/1003430271.db2.gz ZKGVMUYNFKSRAQ-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001421242103 1003476081 /nfs/dbraw/zinc/47/60/81/1003476081.db2.gz WDQXFHWVASLVBD-SWLSCSKDSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@]1(C)CCC[N@H+](CCO)C1 ZINC001421300146 1003515706 /nfs/dbraw/zinc/51/57/06/1003515706.db2.gz NZAFNHRSHPMGPI-HOCLYGCPSA-N 1 3 317.449 0.877 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@]1(C)CCC[N@@H+](CCO)C1 ZINC001421300146 1003515711 /nfs/dbraw/zinc/51/57/11/1003515711.db2.gz NZAFNHRSHPMGPI-HOCLYGCPSA-N 1 3 317.449 0.877 20 0 DCADHO CC[C@@H](F)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001421325959 1003546727 /nfs/dbraw/zinc/54/67/27/1003546727.db2.gz DSQQJNXNJQMREC-ZIAGYGMSSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@@H](F)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001421325959 1003546730 /nfs/dbraw/zinc/54/67/30/1003546730.db2.gz DSQQJNXNJQMREC-ZIAGYGMSSA-N 1 3 315.433 0.941 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001406362749 1003641529 /nfs/dbraw/zinc/64/15/29/1003641529.db2.gz ZNUSDCMLGWAHME-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001406393858 1003674661 /nfs/dbraw/zinc/67/46/61/1003674661.db2.gz RFTREJJBAZMMRB-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001428205620 1003764118 /nfs/dbraw/zinc/76/41/18/1003764118.db2.gz DFLGWGOSTOZSLG-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001428205620 1003764124 /nfs/dbraw/zinc/76/41/24/1003764124.db2.gz DFLGWGOSTOZSLG-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001492952627 1003774924 /nfs/dbraw/zinc/77/49/24/1003774924.db2.gz KCNQNEUABHZBOE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001492952627 1003774928 /nfs/dbraw/zinc/77/49/28/1003774928.db2.gz KCNQNEUABHZBOE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)CC[NH+]2CCCCC2)C1=O ZINC001406555309 1003834029 /nfs/dbraw/zinc/83/40/29/1003834029.db2.gz GNSYEGLBBHASOF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C[N@H+](C)CCc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001406599768 1003907976 /nfs/dbraw/zinc/90/79/76/1003907976.db2.gz GBZGLSULCMBQKB-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](C[N@@H+](C)CCc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001406599768 1003907987 /nfs/dbraw/zinc/90/79/87/1003907987.db2.gz GBZGLSULCMBQKB-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)[C@H]1CCCN1C ZINC001426731454 1003991103 /nfs/dbraw/zinc/99/11/03/1003991103.db2.gz GSYCNAHUJNHFKT-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1)CC(C)(C)C ZINC001406798742 1004104122 /nfs/dbraw/zinc/10/41/22/1004104122.db2.gz RARASRNGTVYENW-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001428914667 1004263267 /nfs/dbraw/zinc/26/32/67/1004263267.db2.gz OHOBSPSKSXOANF-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H](NC1(CNC(=O)CC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001406979238 1004281946 /nfs/dbraw/zinc/28/19/46/1004281946.db2.gz QIPGAIMYUXFLCR-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001407095107 1004374265 /nfs/dbraw/zinc/37/42/65/1004374265.db2.gz PXXYRFUYFNZBSD-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001407108697 1004388709 /nfs/dbraw/zinc/38/87/09/1004388709.db2.gz IYFCLSQMHAASJV-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001407114840 1004396987 /nfs/dbraw/zinc/39/69/87/1004396987.db2.gz XLHCCFZOENDBHK-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001407239030 1004490583 /nfs/dbraw/zinc/49/05/83/1004490583.db2.gz RNHXRCQBYYXJPA-LRDDRELGSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001407277485 1004511976 /nfs/dbraw/zinc/51/19/76/1004511976.db2.gz ZPTFALQJYIFZDL-BBRMVZONSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001429482078 1004624660 /nfs/dbraw/zinc/62/46/60/1004624660.db2.gz OZUUKRABQAONAN-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001429482078 1004624664 /nfs/dbraw/zinc/62/46/64/1004624664.db2.gz OZUUKRABQAONAN-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](CC)C(N)=O)C[C@H]2C1 ZINC001407599629 1004752067 /nfs/dbraw/zinc/75/20/67/1004752067.db2.gz WMCITSQAOGLLGX-ZNMIVQPWSA-N 1 3 324.469 0.372 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](CC)C(N)=O)C[C@H]2C1 ZINC001407599629 1004752071 /nfs/dbraw/zinc/75/20/71/1004752071.db2.gz WMCITSQAOGLLGX-ZNMIVQPWSA-N 1 3 324.469 0.372 20 0 DCADHO C[NH+](C)CCC(=O)N1CCO[C@H](CNCc2cccnc2)C1 ZINC001407863397 1004907776 /nfs/dbraw/zinc/90/77/76/1004907776.db2.gz VXODGNBOFFDKCD-OAHLLOKOSA-N 1 3 306.410 0.350 20 0 DCADHO CN(CCn1cccn1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408346713 1005169754 /nfs/dbraw/zinc/16/97/54/1005169754.db2.gz WCKCEMPESVPDNB-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCn1cccn1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408346713 1005169757 /nfs/dbraw/zinc/16/97/57/1005169757.db2.gz WCKCEMPESVPDNB-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001415391670 1005516164 /nfs/dbraw/zinc/51/61/64/1005516164.db2.gz UPSZXEXCBAPDJS-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415391670 1005516167 /nfs/dbraw/zinc/51/61/67/1005516167.db2.gz UPSZXEXCBAPDJS-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001415519550 1005552676 /nfs/dbraw/zinc/55/26/76/1005552676.db2.gz RLIMCQIMRMHFNN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001415519550 1005552678 /nfs/dbraw/zinc/55/26/78/1005552678.db2.gz RLIMCQIMRMHFNN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO O[C@@H](Cn1cccn1)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473876030 1016981878 /nfs/dbraw/zinc/98/18/78/1016981878.db2.gz GNBGWJBGGIOZJT-MRXNPFEDSA-N 1 3 322.453 0.557 20 0 DCADHO CC[C@@H](C(=O)NCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1)N(C)C ZINC001415885974 1005629383 /nfs/dbraw/zinc/62/93/83/1005629383.db2.gz VMANNIQOOYPJHB-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1)N(C)C ZINC001415885974 1005629385 /nfs/dbraw/zinc/62/93/85/1005629385.db2.gz VMANNIQOOYPJHB-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001473893535 1016987226 /nfs/dbraw/zinc/98/72/26/1016987226.db2.gz QOWLTCJSZWJNHP-DLBZAZTESA-N 1 3 313.486 0.325 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001473893535 1016987237 /nfs/dbraw/zinc/98/72/37/1016987237.db2.gz QOWLTCJSZWJNHP-DLBZAZTESA-N 1 3 313.486 0.325 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001417804258 1005894206 /nfs/dbraw/zinc/89/42/06/1005894206.db2.gz WNEZNSZCCSGFNA-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNCC(N)=O)C1 ZINC001417815072 1005895800 /nfs/dbraw/zinc/89/58/00/1005895800.db2.gz QVGKNJUWDDUBNJ-OCCSQVGLSA-N 1 3 310.442 0.030 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001417991947 1005949838 /nfs/dbraw/zinc/94/98/38/1005949838.db2.gz XSJPPSAXZBHJLR-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001417991947 1005949840 /nfs/dbraw/zinc/94/98/40/1005949840.db2.gz XSJPPSAXZBHJLR-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001418008478 1005954314 /nfs/dbraw/zinc/95/43/14/1005954314.db2.gz GDFBCOYEUDRCRB-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001418008478 1005954315 /nfs/dbraw/zinc/95/43/15/1005954315.db2.gz GDFBCOYEUDRCRB-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001418009991 1005954585 /nfs/dbraw/zinc/95/45/85/1005954585.db2.gz HPVYUOAVXCIQJR-KBPBESRZSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001438634204 1005971286 /nfs/dbraw/zinc/97/12/86/1005971286.db2.gz INNDMQWVBFGQPI-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001418044930 1005973067 /nfs/dbraw/zinc/97/30/67/1005973067.db2.gz UAEXJWOJUMUTBK-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001418044930 1005973072 /nfs/dbraw/zinc/97/30/72/1005973072.db2.gz UAEXJWOJUMUTBK-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001438651352 1005992548 /nfs/dbraw/zinc/99/25/48/1005992548.db2.gz JBIKYLQTHXELJZ-KWCYVHTRSA-N 1 3 322.457 0.780 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001438651352 1005992556 /nfs/dbraw/zinc/99/25/56/1005992556.db2.gz JBIKYLQTHXELJZ-KWCYVHTRSA-N 1 3 322.457 0.780 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001438706194 1006054079 /nfs/dbraw/zinc/05/40/79/1006054079.db2.gz ABJNHQAONOFPMI-NSHDSACASA-N 1 3 306.414 0.145 20 0 DCADHO CC(C)C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001438745564 1006092501 /nfs/dbraw/zinc/09/25/01/1006092501.db2.gz YBRTVVUGNNQHJD-STQMWFEESA-N 1 3 310.442 0.077 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001438770239 1006103887 /nfs/dbraw/zinc/10/38/87/1006103887.db2.gz LUNYIFSYTFVXHK-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001436390014 1006158739 /nfs/dbraw/zinc/15/87/39/1006158739.db2.gz KHGFTGPFQODGOL-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001418218430 1006192650 /nfs/dbraw/zinc/19/26/50/1006192650.db2.gz BDLDRLPKCCGWPU-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001418218430 1006192653 /nfs/dbraw/zinc/19/26/53/1006192653.db2.gz BDLDRLPKCCGWPU-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001418249227 1006245847 /nfs/dbraw/zinc/24/58/47/1006245847.db2.gz JVHZAKLMASFWRH-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001418249227 1006245848 /nfs/dbraw/zinc/24/58/48/1006245848.db2.gz JVHZAKLMASFWRH-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1)CC(C)(C)C ZINC001439018598 1006367095 /nfs/dbraw/zinc/36/70/95/1006367095.db2.gz GYYVFJYGFRIPLN-KBPBESRZSA-N 1 3 315.458 0.068 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](NCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001436805063 1006380119 /nfs/dbraw/zinc/38/01/19/1006380119.db2.gz BCAVBVKHJCCBMM-AEGPPILISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](NCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001436805063 1006380131 /nfs/dbraw/zinc/38/01/31/1006380131.db2.gz BCAVBVKHJCCBMM-AEGPPILISA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001418352702 1006416371 /nfs/dbraw/zinc/41/63/71/1006416371.db2.gz UPVOKILNGDSWED-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001418354442 1006419746 /nfs/dbraw/zinc/41/97/46/1006419746.db2.gz YFLGODNRJIUBNN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001439063598 1006426877 /nfs/dbraw/zinc/42/68/77/1006426877.db2.gz FYCHGQGDOSNJAP-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC ZINC001437058870 1006558112 /nfs/dbraw/zinc/55/81/12/1006558112.db2.gz SVFBQMLMTKMGSY-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H](C)C(=O)N(C)C ZINC001437176587 1006676958 /nfs/dbraw/zinc/67/69/58/1006676958.db2.gz YCOBEJAIXPPHLO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NCC(C)(C)C ZINC001437264562 1006782866 /nfs/dbraw/zinc/78/28/66/1006782866.db2.gz VTNXJPCILDNUIJ-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2cncn2C)C2CC2)CCC1 ZINC001439452289 1006868234 /nfs/dbraw/zinc/86/82/34/1006868234.db2.gz DJGHMMSTRGCGBQ-HNNXBMFYSA-N 1 3 319.453 0.889 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)CC[NH+](C)C ZINC001452884043 1007131734 /nfs/dbraw/zinc/13/17/34/1007131734.db2.gz DXWUIBRRFADOPL-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001439772815 1007188066 /nfs/dbraw/zinc/18/80/66/1007188066.db2.gz KBBCZEQHCCPEMM-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001439772815 1007188070 /nfs/dbraw/zinc/18/80/70/1007188070.db2.gz KBBCZEQHCCPEMM-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001439907797 1007296313 /nfs/dbraw/zinc/29/63/13/1007296313.db2.gz HGLQGEMEAHVSLV-QGZVFWFLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCC[C@@H]1C ZINC001453274252 1007371515 /nfs/dbraw/zinc/37/15/15/1007371515.db2.gz WLAKLEASJQFWFQ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCC[C@@H]1C ZINC001453274252 1007371527 /nfs/dbraw/zinc/37/15/27/1007371527.db2.gz WLAKLEASJQFWFQ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(N)=O ZINC001437840557 1007452688 /nfs/dbraw/zinc/45/26/88/1007452688.db2.gz FUNQUCULVKYTPU-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](NCCO)c2ccccc2)C1 ZINC001437869501 1007474336 /nfs/dbraw/zinc/47/43/36/1007474336.db2.gz HLVRYGOCELUJHU-GOEBONIOSA-N 1 3 305.422 0.768 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](NCCO)c2ccccc2)C1 ZINC001437869501 1007474344 /nfs/dbraw/zinc/47/43/44/1007474344.db2.gz HLVRYGOCELUJHU-GOEBONIOSA-N 1 3 305.422 0.768 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001440323558 1007671889 /nfs/dbraw/zinc/67/18/89/1007671889.db2.gz TULKQWOFYPZZHF-CFVMTHIKSA-N 1 3 307.442 0.745 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001440414442 1007739618 /nfs/dbraw/zinc/73/96/18/1007739618.db2.gz SWXVGHSXFIXQEY-LLVKDONJSA-N 1 3 307.398 0.250 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001440414442 1007739624 /nfs/dbraw/zinc/73/96/24/1007739624.db2.gz SWXVGHSXFIXQEY-LLVKDONJSA-N 1 3 307.398 0.250 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(=O)NC ZINC001438317610 1007817192 /nfs/dbraw/zinc/81/71/92/1007817192.db2.gz KLNQAMSTXWCCGK-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001438421500 1007895197 /nfs/dbraw/zinc/89/51/97/1007895197.db2.gz OEDNFMODAGYNET-WMLDXEAASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccn(C)n1 ZINC001438500111 1007951902 /nfs/dbraw/zinc/95/19/02/1007951902.db2.gz RKXKOSJHXZNTBO-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001438557735 1007996996 /nfs/dbraw/zinc/99/69/96/1007996996.db2.gz ZINOXODLZIKXED-ZDUSSCGKSA-N 1 3 309.458 0.911 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001441351762 1008329876 /nfs/dbraw/zinc/32/98/76/1008329876.db2.gz JOYXEDUYFGOQCE-CTYIDZIISA-N 1 3 319.453 0.889 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC001441375510 1008338074 /nfs/dbraw/zinc/33/80/74/1008338074.db2.gz BEWBTRWVZUGAII-HDJSIYSDSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC001441375510 1008338078 /nfs/dbraw/zinc/33/80/78/1008338078.db2.gz BEWBTRWVZUGAII-HDJSIYSDSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001441434685 1008354877 /nfs/dbraw/zinc/35/48/77/1008354877.db2.gz BKIUCJVGYFIORD-KKUMJFAQSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001441596298 1008417130 /nfs/dbraw/zinc/41/71/30/1008417130.db2.gz NPQYKGXCPQNQRS-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@H]1CCCNC1=O ZINC001441613327 1008425508 /nfs/dbraw/zinc/42/55/08/1008425508.db2.gz GAPIPJSIUMEUDK-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001441651572 1008440763 /nfs/dbraw/zinc/44/07/63/1008440763.db2.gz MKBNFCKCEJWUIG-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC(=O)NC[C@H](CO)[NH2+]CC1CC(C)(C)C1)C1CCC1 ZINC001441707687 1008470327 /nfs/dbraw/zinc/47/03/27/1008470327.db2.gz IRBSVULTUILMOC-CQSZACIVSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NC2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001441832544 1008539412 /nfs/dbraw/zinc/53/94/12/1008539412.db2.gz GQKNKKMZLZCSBN-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(C)C ZINC001421414208 1008551340 /nfs/dbraw/zinc/55/13/40/1008551340.db2.gz BEVGGPRZZQYIRP-MGPQQGTHSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(C)C ZINC001421414208 1008551355 /nfs/dbraw/zinc/55/13/55/1008551355.db2.gz BEVGGPRZZQYIRP-MGPQQGTHSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N2CCCCC2)CN1C(=O)CC[NH+](C)C ZINC001441841691 1008553676 /nfs/dbraw/zinc/55/36/76/1008553676.db2.gz REACVRPMSJMFLT-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001421421306 1008558730 /nfs/dbraw/zinc/55/87/30/1008558730.db2.gz KDFMAFZHWPMWPB-CHWSQXEVSA-N 1 3 324.469 0.622 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001441851233 1008572299 /nfs/dbraw/zinc/57/22/99/1008572299.db2.gz BMIGPDCDEJOSCJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001441851233 1008572313 /nfs/dbraw/zinc/57/23/13/1008572313.db2.gz BMIGPDCDEJOSCJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001421468134 1008628430 /nfs/dbraw/zinc/62/84/30/1008628430.db2.gz HQQHNFULARSHNR-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001421468134 1008628440 /nfs/dbraw/zinc/62/84/40/1008628440.db2.gz HQQHNFULARSHNR-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001453653468 1008643396 /nfs/dbraw/zinc/64/33/96/1008643396.db2.gz JNWWDGMKRGFZOV-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441935760 1008676753 /nfs/dbraw/zinc/67/67/53/1008676753.db2.gz OZGUJQAZCRSGNH-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441935760 1008676764 /nfs/dbraw/zinc/67/67/64/1008676764.db2.gz OZGUJQAZCRSGNH-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)n1 ZINC001441955561 1008704898 /nfs/dbraw/zinc/70/48/98/1008704898.db2.gz VCCGZTPLASXPAE-DZGCQCFKSA-N 1 3 321.469 0.936 20 0 DCADHO COC[C@H](C)N1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001421611755 1008794474 /nfs/dbraw/zinc/79/44/74/1008794474.db2.gz IOYLESZJCBNUPX-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001442009518 1008801306 /nfs/dbraw/zinc/80/13/06/1008801306.db2.gz MCAHUPMZJTVMSO-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001442053081 1008885132 /nfs/dbraw/zinc/88/51/32/1008885132.db2.gz PWHFUODZNBDDFA-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001442053081 1008885146 /nfs/dbraw/zinc/88/51/46/1008885146.db2.gz PWHFUODZNBDDFA-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)N(C)C1CC1 ZINC001421696759 1008949670 /nfs/dbraw/zinc/94/96/70/1008949670.db2.gz CAITVAKTGDWEAO-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001433607149 1008994507 /nfs/dbraw/zinc/99/45/07/1008994507.db2.gz XCXCDFHGNCFGPE-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001433743671 1009139186 /nfs/dbraw/zinc/13/91/86/1009139186.db2.gz SIGAOKNQRQXFCF-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001433743671 1009139192 /nfs/dbraw/zinc/13/91/92/1009139192.db2.gz SIGAOKNQRQXFCF-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001421900094 1009235164 /nfs/dbraw/zinc/23/51/64/1009235164.db2.gz QNXJMEVVXMPQNL-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001421908770 1009245043 /nfs/dbraw/zinc/24/50/43/1009245043.db2.gz PWJSYGYFQWFBBQ-QWHCGFSZSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001421991459 1009372145 /nfs/dbraw/zinc/37/21/45/1009372145.db2.gz MMELWWFRADNPSL-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001422030600 1009416386 /nfs/dbraw/zinc/41/63/86/1009416386.db2.gz CJWQOMZRNPBWPW-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001422030600 1009416395 /nfs/dbraw/zinc/41/63/95/1009416395.db2.gz CJWQOMZRNPBWPW-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001455034102 1009455323 /nfs/dbraw/zinc/45/53/23/1009455323.db2.gz DTAVAIVRSWAWTB-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001455034102 1009455327 /nfs/dbraw/zinc/45/53/27/1009455327.db2.gz DTAVAIVRSWAWTB-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(N)=O ZINC001422133488 1009529256 /nfs/dbraw/zinc/52/92/56/1009529256.db2.gz HMHKPQMDHMVKLS-OAHLLOKOSA-N 1 3 320.437 0.578 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001422192685 1009630037 /nfs/dbraw/zinc/63/00/37/1009630037.db2.gz JSZDAUDQLZTLQS-UHFFFAOYSA-N 1 3 321.469 0.695 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](CC[NH+](C)C)C2)CC1=O ZINC001455625369 1009868108 /nfs/dbraw/zinc/86/81/08/1009868108.db2.gz AQPOZVZGZLZJQK-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422466182 1010125564 /nfs/dbraw/zinc/12/55/64/1010125564.db2.gz WWLDFZPNDMYSBY-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422466182 1010125572 /nfs/dbraw/zinc/12/55/72/1010125572.db2.gz WWLDFZPNDMYSBY-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001443334598 1010342654 /nfs/dbraw/zinc/34/26/54/1010342654.db2.gz JGMMTDMIBDKSPU-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)[C@H](C)C(N)=O)CC1 ZINC001443368115 1010370901 /nfs/dbraw/zinc/37/09/01/1010370901.db2.gz FDVSILLDKKHDPR-CYBMUJFWSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)[C@H](C)C(N)=O)CC1 ZINC001443368115 1010370913 /nfs/dbraw/zinc/37/09/13/1010370913.db2.gz FDVSILLDKKHDPR-CYBMUJFWSA-N 1 3 312.458 0.372 20 0 DCADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001443707910 1010601052 /nfs/dbraw/zinc/60/10/52/1010601052.db2.gz HWQQTVUVRPNPNN-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001443707910 1010601058 /nfs/dbraw/zinc/60/10/58/1010601058.db2.gz HWQQTVUVRPNPNN-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)CC(=O)N(C)C)CC2)C1 ZINC001422928247 1010746666 /nfs/dbraw/zinc/74/66/66/1010746666.db2.gz RBBJIJLMUGDGFQ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)CC(=O)N(C)C)CC2)C1 ZINC001422928247 1010746674 /nfs/dbraw/zinc/74/66/74/1010746674.db2.gz RBBJIJLMUGDGFQ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(CC)C1=O ZINC001443936952 1010762472 /nfs/dbraw/zinc/76/24/72/1010762472.db2.gz QLXKUYIXDADHSF-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001444107355 1010858406 /nfs/dbraw/zinc/85/84/06/1010858406.db2.gz DFJIBYOZSGGFIQ-XJKSGUPXSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001423110176 1010895342 /nfs/dbraw/zinc/89/53/42/1010895342.db2.gz QTSFPYKZQIPVMQ-STQMWFEESA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444254913 1010925934 /nfs/dbraw/zinc/92/59/34/1010925934.db2.gz KLWWTNVSVGWPRS-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444254913 1010925938 /nfs/dbraw/zinc/92/59/38/1010925938.db2.gz KLWWTNVSVGWPRS-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(N[C@H](CC)C(N)=O)CC2)C1 ZINC001423252855 1011018942 /nfs/dbraw/zinc/01/89/42/1011018942.db2.gz UFQHVFFVQBJTJC-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(N[C@H](CC)C(N)=O)CC2)C1 ZINC001423252855 1011018945 /nfs/dbraw/zinc/01/89/45/1011018945.db2.gz UFQHVFFVQBJTJC-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001423264479 1011027872 /nfs/dbraw/zinc/02/78/72/1011027872.db2.gz PCOXTJVRLMEIMN-NEPJUHHUSA-N 1 3 307.385 0.439 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NCC ZINC001444612481 1011094346 /nfs/dbraw/zinc/09/43/46/1011094346.db2.gz KIGLDQKMNGLFJQ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NCC ZINC001444612481 1011094354 /nfs/dbraw/zinc/09/43/54/1011094354.db2.gz KIGLDQKMNGLFJQ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[NH2+]Cc1cncn1C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444631147 1011105741 /nfs/dbraw/zinc/10/57/41/1011105741.db2.gz NPSGFBAVWXEUPC-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]C[C@H](O)COC)C(C)(C)C1 ZINC001423400209 1011123240 /nfs/dbraw/zinc/12/32/40/1011123240.db2.gz HTMQXMQDMZMBGZ-KBPBESRZSA-N 1 3 315.458 0.162 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001423409250 1011128929 /nfs/dbraw/zinc/12/89/29/1011128929.db2.gz LKTHATMMCHIUEV-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1cnnn1C ZINC001444726562 1011148514 /nfs/dbraw/zinc/14/85/14/1011148514.db2.gz XAFWFOOKZMLGBD-ZFWWWQNUSA-N 1 3 322.457 0.626 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1cnnn1C ZINC001444726562 1011148519 /nfs/dbraw/zinc/14/85/19/1011148519.db2.gz XAFWFOOKZMLGBD-ZFWWWQNUSA-N 1 3 322.457 0.626 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001444787818 1011172918 /nfs/dbraw/zinc/17/29/18/1011172918.db2.gz LPXZDDSHCKPXBH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001444822808 1011180420 /nfs/dbraw/zinc/18/04/20/1011180420.db2.gz SPWIQEPODMGCTH-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CN[C@H](C)C(N)=O)CC1 ZINC001423496680 1011187623 /nfs/dbraw/zinc/18/76/23/1011187623.db2.gz RDNXCNGTDLGMQS-HIFRSBDPSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CN[C@@H](C)C(N)=O)CC1 ZINC001423496681 1011188456 /nfs/dbraw/zinc/18/84/56/1011188456.db2.gz RDNXCNGTDLGMQS-ZFWWWQNUSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001444871830 1011193253 /nfs/dbraw/zinc/19/32/53/1011193253.db2.gz MWEUDLABZZWPLX-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445081249 1011388605 /nfs/dbraw/zinc/38/86/05/1011388605.db2.gz FZRAVFYUVTWLBJ-CQSZACIVSA-N 1 3 307.442 0.305 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445081249 1011388613 /nfs/dbraw/zinc/38/86/13/1011388613.db2.gz FZRAVFYUVTWLBJ-CQSZACIVSA-N 1 3 307.442 0.305 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001533511276 1011429848 /nfs/dbraw/zinc/42/98/48/1011429848.db2.gz VJNCBUOQJRYFLF-VBROQKIQSA-N 1 3 310.442 0.067 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001533511276 1011429854 /nfs/dbraw/zinc/42/98/54/1011429854.db2.gz VJNCBUOQJRYFLF-VBROQKIQSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001533573447 1011452292 /nfs/dbraw/zinc/45/22/92/1011452292.db2.gz RWHUEZCFQBOTNZ-WJNHHXLDSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001533573447 1011452298 /nfs/dbraw/zinc/45/22/98/1011452298.db2.gz RWHUEZCFQBOTNZ-WJNHHXLDSA-N 1 3 324.469 0.457 20 0 DCADHO CCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001431680033 1011535034 /nfs/dbraw/zinc/53/50/34/1011535034.db2.gz MQACCUGATQETLK-CYBMUJFWSA-N 1 3 321.425 0.177 20 0 DCADHO CCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431680033 1011535044 /nfs/dbraw/zinc/53/50/44/1011535044.db2.gz MQACCUGATQETLK-CYBMUJFWSA-N 1 3 321.425 0.177 20 0 DCADHO CN(CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001534872260 1011709322 /nfs/dbraw/zinc/70/93/22/1011709322.db2.gz CPVYILQQYCSAOM-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001534872260 1011709326 /nfs/dbraw/zinc/70/93/26/1011709326.db2.gz CPVYILQQYCSAOM-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001445499036 1011828520 /nfs/dbraw/zinc/82/85/20/1011828520.db2.gz MIOYIEPDZYZDSC-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC001432039020 1011899459 /nfs/dbraw/zinc/89/94/59/1011899459.db2.gz RLKGRASTDFFIKJ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001424082606 1011966505 /nfs/dbraw/zinc/96/65/05/1011966505.db2.gz KGIYIQSWLRWRBH-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CC[C@](C[NH3+])(C3CCOCC3)C2)C1 ZINC001553431825 1011972778 /nfs/dbraw/zinc/97/27/78/1011972778.db2.gz BNKOBQUOJMJDQO-NVXWUHKLSA-N 1 3 324.469 0.868 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC12CCC2 ZINC001553444212 1011981135 /nfs/dbraw/zinc/98/11/35/1011981135.db2.gz KEQMVPDDHYKEGG-HZSPNIEDSA-N 1 3 308.426 0.372 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001553445634 1011981175 /nfs/dbraw/zinc/98/11/75/1011981175.db2.gz OOMONOICHFYCJB-LZWOXQAQSA-N 1 3 308.426 0.387 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)CC1(C)C ZINC001553479782 1012013428 /nfs/dbraw/zinc/01/34/28/1012013428.db2.gz KZSQKXLDFTUTNT-AWEZNQCLSA-N 1 3 323.485 0.535 20 0 DCADHO CC1([NH3+])CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553546355 1012094440 /nfs/dbraw/zinc/09/44/40/1012094440.db2.gz GZLDHINVFCZKEF-DGNOSDGRSA-N 1 3 324.469 0.887 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001458193641 1012103595 /nfs/dbraw/zinc/10/35/95/1012103595.db2.gz LZWSTSKWTRTHAI-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001458193641 1012103612 /nfs/dbraw/zinc/10/36/12/1012103612.db2.gz LZWSTSKWTRTHAI-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)CCn1cncn1)[NH+](C)C ZINC001445837074 1012326098 /nfs/dbraw/zinc/32/60/98/1012326098.db2.gz JDFJRKUIROJREV-KBPBESRZSA-N 1 3 310.446 0.301 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)N(C)C ZINC001445962701 1012465400 /nfs/dbraw/zinc/46/54/00/1012465400.db2.gz BUVIDWCDZSCSQA-WFASDCNBSA-N 1 3 324.469 0.289 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)CC1 ZINC001445965195 1012469667 /nfs/dbraw/zinc/46/96/67/1012469667.db2.gz IKVSRJDHVABUFX-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556642 1012708797 /nfs/dbraw/zinc/70/87/97/1012708797.db2.gz BLEPEYWBMJBMQM-UNEWFSDZSA-N 1 3 301.390 0.368 20 0 DCADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N[C@@H]3COC4(CNC4)C3)cc21 ZINC001548568421 1012727037 /nfs/dbraw/zinc/72/70/37/1012727037.db2.gz GTTDZDQCXBMUJA-CABCVRRESA-N 1 3 315.417 0.926 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001429785331 1012774236 /nfs/dbraw/zinc/77/42/36/1012774236.db2.gz WJJKTYNVAKWSHT-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN(C)C(C)C ZINC001432756473 1012840876 /nfs/dbraw/zinc/84/08/76/1012840876.db2.gz NCFREMGODDBMNF-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001429851880 1012865728 /nfs/dbraw/zinc/86/57/28/1012865728.db2.gz OMYBORKANXFGLB-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001506313528 1017204010 /nfs/dbraw/zinc/20/40/10/1017204010.db2.gz ZRPRNCSXKLGATK-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479394135 1017536431 /nfs/dbraw/zinc/53/64/31/1017536431.db2.gz XYXONQHBDNZNFL-HAQNSBGRSA-N 1 3 311.455 0.783 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001506894688 1017649136 /nfs/dbraw/zinc/64/91/36/1017649136.db2.gz LLWGYTMTPHXHMB-HDJSIYSDSA-N 1 3 319.453 0.746 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001479691781 1017654747 /nfs/dbraw/zinc/65/47/47/1017654747.db2.gz FHLGVFFYRZOZSJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001506903867 1017654916 /nfs/dbraw/zinc/65/49/16/1017654916.db2.gz RVPTVFVNTQXYCS-DZKIICNBSA-N 1 3 321.469 0.787 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](CCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001506995249 1017744617 /nfs/dbraw/zinc/74/46/17/1017744617.db2.gz KCMNQSSNSJHSMO-CHWSQXEVSA-N 1 3 323.441 0.516 20 0 DCADHO CCN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@H](C)C(N)=O ZINC001479856465 1017894482 /nfs/dbraw/zinc/89/44/82/1017894482.db2.gz UTFGBKGSXKONGY-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499918368 1018134325 /nfs/dbraw/zinc/13/43/25/1018134325.db2.gz CSMGPYYFRFMIBK-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499918368 1018134334 /nfs/dbraw/zinc/13/43/34/1018134334.db2.gz CSMGPYYFRFMIBK-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001499920229 1018134739 /nfs/dbraw/zinc/13/47/39/1018134739.db2.gz BLZVEVIYMNKJEC-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480078404 1018187845 /nfs/dbraw/zinc/18/78/45/1018187845.db2.gz LBJXDMOIVKKBKL-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480078404 1018187850 /nfs/dbraw/zinc/18/78/50/1018187850.db2.gz LBJXDMOIVKKBKL-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(C)C ZINC001494995198 1018218777 /nfs/dbraw/zinc/21/87/77/1018218777.db2.gz QHOCKDSWGWOLBT-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1n[nH]c(C)n1 ZINC001495051415 1018268685 /nfs/dbraw/zinc/26/86/85/1018268685.db2.gz QVVYAXKPTDGLGT-GFCCVEGCSA-N 1 3 308.430 0.439 20 0 DCADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N(C)C ZINC001495057626 1018272902 /nfs/dbraw/zinc/27/29/02/1018272902.db2.gz ICXIXYZVYMDWDN-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CC[N@H+](C)CCC(=O)NC/C=C\CN[C@@H]1CCCN(C)C1=O ZINC001497719970 1018363871 /nfs/dbraw/zinc/36/38/71/1018363871.db2.gz SWSVRYHWSHNBRF-GEXIGZQTSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC/C=C\CN[C@@H]1CCCN(C)C1=O ZINC001497719970 1018363880 /nfs/dbraw/zinc/36/38/80/1018363880.db2.gz SWSVRYHWSHNBRF-GEXIGZQTSA-N 1 3 310.442 0.211 20 0 DCADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001497751139 1018388437 /nfs/dbraw/zinc/38/84/37/1018388437.db2.gz YARNBZSVJRTSBN-BGTMTDRBSA-N 1 3 322.453 0.261 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@](C)(CNCc2cnns2)C1 ZINC001500374718 1018432918 /nfs/dbraw/zinc/43/29/18/1018432918.db2.gz RQUYCHWDCBEFRK-AWEZNQCLSA-N 1 3 311.455 0.818 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001495392765 1018486590 /nfs/dbraw/zinc/48/65/90/1018486590.db2.gz HOTXMHINJFKIIL-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)CN(C)CC(C)(C)C ZINC001497911432 1018509985 /nfs/dbraw/zinc/50/99/85/1018509985.db2.gz WQHUVPJMFBJFIR-CYBMUJFWSA-N 1 3 309.458 0.992 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001495481482 1018532685 /nfs/dbraw/zinc/53/26/85/1018532685.db2.gz IELOPMLTRRTYAQ-MGPQQGTHSA-N 1 3 312.458 0.608 20 0 DCADHO CC[C@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001480460635 1018554803 /nfs/dbraw/zinc/55/48/03/1018554803.db2.gz ADPMHABKCDOOCH-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H]([NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001480596226 1018693053 /nfs/dbraw/zinc/69/30/53/1018693053.db2.gz JJQIVXBHINQUBY-WFASDCNBSA-N 1 3 320.437 0.720 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)ncn1 ZINC001495815746 1018715330 /nfs/dbraw/zinc/71/53/30/1018715330.db2.gz RWWHBTXVERNWAX-CYBMUJFWSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001498197624 1018743824 /nfs/dbraw/zinc/74/38/24/1018743824.db2.gz SHAUFPMKKBVYQA-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001501073762 1018860007 /nfs/dbraw/zinc/86/00/07/1018860007.db2.gz BERSJQQZPUXCCX-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001501073762 1018860025 /nfs/dbraw/zinc/86/00/25/1018860025.db2.gz BERSJQQZPUXCCX-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501161515 1018930595 /nfs/dbraw/zinc/93/05/95/1018930595.db2.gz JNAFFRYRCDPKNN-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501161515 1018930603 /nfs/dbraw/zinc/93/06/03/1018930603.db2.gz JNAFFRYRCDPKNN-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001501173655 1018934968 /nfs/dbraw/zinc/93/49/68/1018934968.db2.gz JAJXGKSFSAJZFK-QDMKHBRRSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C2 ZINC001501173655 1018934973 /nfs/dbraw/zinc/93/49/73/1018934973.db2.gz JAJXGKSFSAJZFK-QDMKHBRRSA-N 1 3 324.469 0.432 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498637030 1019288747 /nfs/dbraw/zinc/28/87/47/1019288747.db2.gz MNPOJTPUQHGUQK-AWEZNQCLSA-N 1 3 322.457 0.578 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001498637030 1019288752 /nfs/dbraw/zinc/28/87/52/1019288752.db2.gz MNPOJTPUQHGUQK-AWEZNQCLSA-N 1 3 322.457 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCCNCc1nccn1C)[NH+](C)C ZINC001498644432 1019297698 /nfs/dbraw/zinc/29/76/98/1019297698.db2.gz ZKVRUPZPMYKFCR-HNNXBMFYSA-N 1 3 309.458 0.944 20 0 DCADHO COc1ncccc1CNCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498654552 1019305252 /nfs/dbraw/zinc/30/52/52/1019305252.db2.gz ATSXTMXQRVUQTD-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ncccc1CNCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498654552 1019305260 /nfs/dbraw/zinc/30/52/60/1019305260.db2.gz ATSXTMXQRVUQTD-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO CCn1nncc1CNCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501612165 1019325994 /nfs/dbraw/zinc/32/59/94/1019325994.db2.gz PHQLDYSSDLBVTO-CQSZACIVSA-N 1 3 322.457 0.578 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCN(CC)C2=O)CC[N@@H+]1C ZINC001493551643 1019513681 /nfs/dbraw/zinc/51/36/81/1019513681.db2.gz QZMFTEBCHAPRGI-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCN(CC)C2=O)CC[N@H+]1C ZINC001493551643 1019513692 /nfs/dbraw/zinc/51/36/92/1019513692.db2.gz QZMFTEBCHAPRGI-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001501864682 1019528252 /nfs/dbraw/zinc/52/82/52/1019528252.db2.gz KBFBZIHURRORBO-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001501864682 1019528264 /nfs/dbraw/zinc/52/82/64/1019528264.db2.gz KBFBZIHURRORBO-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001493570894 1019529787 /nfs/dbraw/zinc/52/97/87/1019529787.db2.gz RJGQVOGDCXZKJU-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001493570894 1019529801 /nfs/dbraw/zinc/52/98/01/1019529801.db2.gz RJGQVOGDCXZKJU-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001501968444 1019598228 /nfs/dbraw/zinc/59/82/28/1019598228.db2.gz NOJNOXWTDZSEAS-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCC1 ZINC001501968444 1019598237 /nfs/dbraw/zinc/59/82/37/1019598237.db2.gz NOJNOXWTDZSEAS-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO Cc1nc(CNC2(CNC(=O)CCC[NH+](C)C)CCC2)n[nH]1 ZINC001501994982 1019613431 /nfs/dbraw/zinc/61/34/31/1019613431.db2.gz RRBKGIJAFXUYJJ-UHFFFAOYSA-N 1 3 308.430 0.583 20 0 DCADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001493696103 1019639962 /nfs/dbraw/zinc/63/99/62/1019639962.db2.gz PJOGAWDRFGWEDD-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001493696103 1019639977 /nfs/dbraw/zinc/63/99/77/1019639977.db2.gz PJOGAWDRFGWEDD-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001502094657 1019710907 /nfs/dbraw/zinc/71/09/07/1019710907.db2.gz KWOVBFBKLWAGRK-ZIAGYGMSSA-N 1 3 303.422 0.892 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001499097164 1019739619 /nfs/dbraw/zinc/73/96/19/1019739619.db2.gz YAHAJWRMEMXJSJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001499097164 1019739633 /nfs/dbraw/zinc/73/96/33/1019739633.db2.gz YAHAJWRMEMXJSJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001496914769 1019758817 /nfs/dbraw/zinc/75/88/17/1019758817.db2.gz KPDWRMKXULHWJO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(NC[C@@H](O)CNCc1cncs1)[C@@H]1C[NH+]2CCC1CC2 ZINC001496987708 1019886419 /nfs/dbraw/zinc/88/64/19/1019886419.db2.gz XTIKEMHPBZPVCT-GXTWGEPZSA-N 1 3 324.450 0.052 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494049091 1019947451 /nfs/dbraw/zinc/94/74/51/1019947451.db2.gz UTAXBNXUCIYKQD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001494243425 1020093428 /nfs/dbraw/zinc/09/34/28/1020093428.db2.gz XFXKDXGSBSZGRJ-BETUJISGSA-N 1 3 321.425 0.366 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001494243425 1020093439 /nfs/dbraw/zinc/09/34/39/1020093439.db2.gz XFXKDXGSBSZGRJ-BETUJISGSA-N 1 3 321.425 0.366 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCOCCO)CC1 ZINC001660784362 1174050086 /nfs/dbraw/zinc/05/00/86/1174050086.db2.gz UJFBCRXYQOBGDF-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000332585261 529404374 /nfs/dbraw/zinc/40/43/74/529404374.db2.gz DHWAUDQOFSUDEI-RRFJBIMHSA-N 1 3 322.453 0.282 20 0 DCADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CNC)cc1 ZINC000082251234 185174405 /nfs/dbraw/zinc/17/44/05/185174405.db2.gz KVIMSAPWKSDANW-UHFFFAOYSA-N 1 3 306.410 0.916 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(C2CCCC2)CC1 ZINC000333697146 295691353 /nfs/dbraw/zinc/69/13/53/295691353.db2.gz QIGQAQFJYCCLMO-OAHLLOKOSA-N 1 3 310.442 0.635 20 0 DCADHO CN(C)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000418831366 282236919 /nfs/dbraw/zinc/23/69/19/282236919.db2.gz GDSDSCOEYLPUJU-AWEZNQCLSA-N 1 3 320.437 0.129 20 0 DCADHO CCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000182167301 199396387 /nfs/dbraw/zinc/39/63/87/199396387.db2.gz ARVKXVMPFCPFDZ-OAHLLOKOSA-N 1 3 319.453 0.919 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000167213347 237126031 /nfs/dbraw/zinc/12/60/31/237126031.db2.gz ZGIZAGJJZOZIGO-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000319564888 291256710 /nfs/dbraw/zinc/25/67/10/291256710.db2.gz PVLYCUPHFCCCLL-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N2CCC[C@H]2CN2CCCC2)nn1 ZINC000566287135 291291187 /nfs/dbraw/zinc/29/11/87/291291187.db2.gz XRDDPYLSOCCBGG-AWEZNQCLSA-N 1 3 320.441 0.717 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000566508854 291310107 /nfs/dbraw/zinc/31/01/07/291310107.db2.gz MLLDYHQFHWGOAQ-OAHLLOKOSA-N 1 3 311.474 0.311 20 0 DCADHO NC(=O)c1cccnc1N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420328186 240020760 /nfs/dbraw/zinc/02/07/60/240020760.db2.gz ZOKMDDNCXTWKGG-CQSZACIVSA-N 1 3 317.437 0.692 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000420419705 240024593 /nfs/dbraw/zinc/02/45/93/240024593.db2.gz JHWAWIACISAIBL-JTQLQIEISA-N 1 3 317.459 0.077 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000420028958 240011379 /nfs/dbraw/zinc/01/13/79/240011379.db2.gz NAXXHUNQQNBCLU-NSHDSACASA-N 1 3 312.439 0.102 20 0 DCADHO C[C@@H](NC(=O)CC1CC[NH2+]CC1)C(=O)NCCN1CCCCC1 ZINC000566971529 291331210 /nfs/dbraw/zinc/33/12/10/291331210.db2.gz INBJIFJVUXQLKO-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000423025374 240190109 /nfs/dbraw/zinc/19/01/09/240190109.db2.gz LOHHYSRKGUYISM-INMHGKMJSA-N 1 3 320.481 0.991 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000423597124 240223487 /nfs/dbraw/zinc/22/34/87/240223487.db2.gz SVMNXKAVHBGPEV-QLFBSQMISA-N 1 3 324.469 0.371 20 0 DCADHO CN1CCC(O)(CNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457624040 241021231 /nfs/dbraw/zinc/02/12/31/241021231.db2.gz VBQQDWOOFSHTFH-UHFFFAOYSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN2CCCC[C@H]2C1 ZINC000279020115 296185559 /nfs/dbraw/zinc/18/55/59/296185559.db2.gz ONQWPDMKJYNBOO-OLZOCXBDSA-N 1 3 303.410 0.797 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CCO1 ZINC000573429561 291631084 /nfs/dbraw/zinc/63/10/84/291631084.db2.gz LZNUEWAMKVACPF-DZGCQCFKSA-N 1 3 304.394 0.243 20 0 DCADHO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000574744108 291712737 /nfs/dbraw/zinc/71/27/37/291712737.db2.gz AUOGQLYLCZEUFF-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339636507 253119555 /nfs/dbraw/zinc/11/95/55/253119555.db2.gz FGDGUIPMCBKPHE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339636507 253119556 /nfs/dbraw/zinc/11/95/56/253119556.db2.gz FGDGUIPMCBKPHE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)N(C)C1CC1 ZINC000339754071 253138597 /nfs/dbraw/zinc/13/85/97/253138597.db2.gz NZZZCQWXPYPLJK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000340206318 253217025 /nfs/dbraw/zinc/21/70/25/253217025.db2.gz MRJXODHPBUAWAO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)C1CC1 ZINC000340505992 253269012 /nfs/dbraw/zinc/26/90/12/253269012.db2.gz CBADDZADVWLFEZ-OLZOCXBDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)C1CC1 ZINC000340505992 253269015 /nfs/dbraw/zinc/26/90/15/253269015.db2.gz CBADDZADVWLFEZ-OLZOCXBDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(C)C1CC1 ZINC000340791571 253304540 /nfs/dbraw/zinc/30/45/40/253304540.db2.gz DXZZYTBUFPMDPE-YUELXQCFSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N(C)C1CC1 ZINC000340791571 253304542 /nfs/dbraw/zinc/30/45/42/253304542.db2.gz DXZZYTBUFPMDPE-YUELXQCFSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)C[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)N(C)C ZINC000343769973 253700663 /nfs/dbraw/zinc/70/06/63/253700663.db2.gz RXOAMQWYUNVXIJ-JALIKCBVSA-N 1 3 309.454 0.894 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000346185854 254020165 /nfs/dbraw/zinc/02/01/65/254020165.db2.gz KXUOLFPLNHTKAF-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000346185854 254020166 /nfs/dbraw/zinc/02/01/66/254020166.db2.gz KXUOLFPLNHTKAF-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000347117622 254130945 /nfs/dbraw/zinc/13/09/45/254130945.db2.gz WULHQBPVEPWZAW-CQSZACIVSA-N 1 3 319.405 0.745 20 0 DCADHO Cc1cccn2c(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cnc12 ZINC000347136129 254132997 /nfs/dbraw/zinc/13/29/97/254132997.db2.gz UASTWYOFLZIJAQ-CQSZACIVSA-N 1 3 315.421 0.930 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351897176 254378797 /nfs/dbraw/zinc/37/87/97/254378797.db2.gz HSGQLCRPNSHKJW-CQSZACIVSA-N 1 3 314.474 0.936 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)N1 ZINC000170936302 285247725 /nfs/dbraw/zinc/24/77/25/285247725.db2.gz ISNGYAMOGUOZSJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)N1 ZINC000170936302 285247726 /nfs/dbraw/zinc/24/77/26/285247726.db2.gz ISNGYAMOGUOZSJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(C)=O ZINC000245199047 285247755 /nfs/dbraw/zinc/24/77/55/285247755.db2.gz YOCATZJJZBMTKK-DZGCQCFKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(C)=O ZINC000245199047 285247756 /nfs/dbraw/zinc/24/77/56/285247756.db2.gz YOCATZJJZBMTKK-DZGCQCFKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOC ZINC000080603649 285277569 /nfs/dbraw/zinc/27/75/69/285277569.db2.gz ZZPXUCWLZALONE-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOC ZINC000080603649 285277572 /nfs/dbraw/zinc/27/75/72/285277572.db2.gz ZZPXUCWLZALONE-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CC(C)NS(=O)(=O)[C@@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000420380920 262372488 /nfs/dbraw/zinc/37/24/88/262372488.db2.gz XASRYRRUHXSSFT-CQSZACIVSA-N 1 3 303.472 0.778 20 0 DCADHO CCC[NH+]1CCC(N(C)CCC(=O)N(C)CC(=O)OC)CC1 ZINC000111240578 395803845 /nfs/dbraw/zinc/80/38/45/395803845.db2.gz INYYOLCKZLQXQU-UHFFFAOYSA-N 1 3 313.442 0.814 20 0 DCADHO CCCC[C@H](N)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000236850156 395899300 /nfs/dbraw/zinc/89/93/00/395899300.db2.gz KUUTXJMTECUSDL-ZDUSSCGKSA-N 1 3 324.429 0.017 20 0 DCADHO C[NH+](C)C1(CNC(=O)C[C@@H]2CSCCN2)CCOCC1 ZINC000237080983 395902083 /nfs/dbraw/zinc/90/20/83/395902083.db2.gz YKFOLWJKAFYLHH-GFCCVEGCSA-N 1 3 301.456 0.309 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000120071533 395880916 /nfs/dbraw/zinc/88/09/16/395880916.db2.gz JCJHAUSKIYDDBC-DOTOQJQBSA-N 1 3 322.453 0.901 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274737856 395972645 /nfs/dbraw/zinc/97/26/45/395972645.db2.gz DPCOOGDIYBEYLX-ZDUSSCGKSA-N 1 3 307.394 0.427 20 0 DCADHO C[C@@H]1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000167791293 396089453 /nfs/dbraw/zinc/08/94/53/396089453.db2.gz PCHHZAUZXXWFLS-RDBSUJKOSA-N 1 3 303.472 0.575 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CN1C1CC1 ZINC000278930530 396141120 /nfs/dbraw/zinc/14/11/20/396141120.db2.gz FBTDCBYHZFACDV-IJLUTSLNSA-N 1 3 303.410 0.842 20 0 DCADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000262022201 396090785 /nfs/dbraw/zinc/09/07/85/396090785.db2.gz YHRGWVHRZQWBTA-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)CN1C1CC1 ZINC000262062087 396095371 /nfs/dbraw/zinc/09/53/71/396095371.db2.gz AWYYHKZAMYYWMF-ZIAGYGMSSA-N 1 3 317.437 0.703 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCO1 ZINC000262381849 396133451 /nfs/dbraw/zinc/13/34/51/396133451.db2.gz XZEIMQYJSGQDCR-LXINESAQSA-N 1 3 309.454 0.929 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262396037 396134844 /nfs/dbraw/zinc/13/48/44/396134844.db2.gz OXLYDDPTHWHSJZ-ZMSDIMECSA-N 1 3 309.454 0.993 20 0 DCADHO CN(CCNC(=O)[C@@H]([NH3+])C1CCOCC1)Cc1ccccc1 ZINC000261905826 396078027 /nfs/dbraw/zinc/07/80/27/396078027.db2.gz XAPTXQIXHKOBSM-INIZCTEOSA-N 1 3 305.422 0.989 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000261943829 396082616 /nfs/dbraw/zinc/08/26/16/396082616.db2.gz LWNZKDUKUGOSQT-CYBMUJFWSA-N 1 3 309.385 0.991 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000262607345 396161147 /nfs/dbraw/zinc/16/11/47/396161147.db2.gz CGLKKDGYPGPSAD-MJBXVCDLSA-N 1 3 310.442 0.030 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000178830722 396211025 /nfs/dbraw/zinc/21/10/25/396211025.db2.gz JDDAMRCPZDCEIW-KRWDZBQOSA-N 1 3 318.465 0.699 20 0 DCADHO Cc1cc(NC(=O)CN2CCN(CC3CC[NH2+]CC3)CC2)no1 ZINC000178978341 396217095 /nfs/dbraw/zinc/21/70/95/396217095.db2.gz MFTLLTRHPMAQLA-UHFFFAOYSA-N 1 3 321.425 0.539 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186104466 396341125 /nfs/dbraw/zinc/34/11/25/396341125.db2.gz BLTWYWCOSFJJOV-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO C[NH+](C)C/C=C/C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000269484419 396417892 /nfs/dbraw/zinc/41/78/92/396417892.db2.gz BMSWRRUPZLIYQJ-ZGRWHYIRSA-N 1 3 317.433 0.640 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000187904495 396376396 /nfs/dbraw/zinc/37/63/96/396376396.db2.gz CBUTWWGEMMXACJ-JKSUJKDBSA-N 1 3 321.421 0.620 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CCN(C2CC2)C1 ZINC000581121426 396527115 /nfs/dbraw/zinc/52/71/15/396527115.db2.gz SOYBZIRCOZCVKI-HIFRSBDPSA-N 1 3 309.458 0.016 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000581139720 396529655 /nfs/dbraw/zinc/52/96/55/396529655.db2.gz GAUKSCWDFZPYAJ-HRCADAONSA-N 1 3 310.442 0.705 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000581139720 396529657 /nfs/dbraw/zinc/52/96/57/396529657.db2.gz GAUKSCWDFZPYAJ-HRCADAONSA-N 1 3 310.442 0.705 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000581185205 396531759 /nfs/dbraw/zinc/53/17/59/396531759.db2.gz GYOODLXYSUIWAA-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581606147 396568316 /nfs/dbraw/zinc/56/83/16/396568316.db2.gz UJILRYSBBWJEDV-HZPDHXFCSA-N 1 3 308.470 0.755 20 0 DCADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561526919 396643348 /nfs/dbraw/zinc/64/33/48/396643348.db2.gz CJTUMLURHNDJTE-BTJONVMOSA-N 1 3 308.426 0.970 20 0 DCADHO C[C@H]1CSC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000561565918 396644221 /nfs/dbraw/zinc/64/42/21/396644221.db2.gz DVRNEGOCURQBOZ-STQMWFEESA-N 1 3 302.488 0.873 20 0 DCADHO C[C@@H](CNC[C@H](O)COC1CCOCC1)C[NH+]1CCCC1 ZINC000584834349 396627468 /nfs/dbraw/zinc/62/74/68/396627468.db2.gz KBDFGECZDLZCLM-GJZGRUSLSA-N 1 3 300.443 0.864 20 0 DCADHO C[C@@H](C[NH2+]C[C@H](O)COC1CCOCC1)CN1CCCC1 ZINC000584834349 396627471 /nfs/dbraw/zinc/62/74/71/396627471.db2.gz KBDFGECZDLZCLM-GJZGRUSLSA-N 1 3 300.443 0.864 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CCCO1 ZINC000562815432 396680970 /nfs/dbraw/zinc/68/09/70/396680970.db2.gz MILPSBFJCRLJFY-ZBFHGGJFSA-N 1 3 318.421 0.633 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000562812153 396681298 /nfs/dbraw/zinc/68/12/98/396681298.db2.gz KIHGIFIBPFHTJO-CQSZACIVSA-N 1 3 311.474 0.311 20 0 DCADHO CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@@H](CN)C(F)(F)F ZINC000595994658 396705550 /nfs/dbraw/zinc/70/55/50/396705550.db2.gz ILCOMPRCCQIXBU-SCZZXKLOSA-N 1 3 319.331 0.681 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000563161082 396710473 /nfs/dbraw/zinc/71/04/73/396710473.db2.gz ZNBGVDQSDYCTHG-ZBFHGGJFSA-N 1 3 320.437 0.682 20 0 DCADHO [NH3+]C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CC[C@@H]1C(F)(F)F ZINC000629561694 396787438 /nfs/dbraw/zinc/78/74/38/396787438.db2.gz JBADCGZMIBILNK-UTUOFQBUSA-N 1 3 307.360 0.967 20 0 DCADHO CN(CCOCC[NH3+])CCC(=O)N1CCc2sccc2C1 ZINC000629579334 396796386 /nfs/dbraw/zinc/79/63/86/396796386.db2.gz RXWNKXYMALVRHP-UHFFFAOYSA-N 1 3 311.451 0.930 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)C1 ZINC000634186629 396806408 /nfs/dbraw/zinc/80/64/08/396806408.db2.gz WDSACOVSMPBAGQ-MRXNPFEDSA-N 1 3 323.485 0.550 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000564825833 396875616 /nfs/dbraw/zinc/87/56/16/396875616.db2.gz LHEDCXVUKYXVSI-JKSUJKDBSA-N 1 3 308.470 0.648 20 0 DCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000564825833 396875624 /nfs/dbraw/zinc/87/56/24/396875624.db2.gz LHEDCXVUKYXVSI-JKSUJKDBSA-N 1 3 308.470 0.648 20 0 DCADHO C[N@@H+]1CCCN(CCCN[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000331981894 396877087 /nfs/dbraw/zinc/87/70/87/396877087.db2.gz LGMYPZLXKXGJTE-AWEZNQCLSA-N 1 3 303.472 0.181 20 0 DCADHO C[N@H+]1CCCN(CCCN[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000331981894 396877095 /nfs/dbraw/zinc/87/70/95/396877095.db2.gz LGMYPZLXKXGJTE-AWEZNQCLSA-N 1 3 303.472 0.181 20 0 DCADHO CCCC[N@H+](C)CCNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564854171 396881736 /nfs/dbraw/zinc/88/17/36/396881736.db2.gz JVWZJDWFJJSGNS-XHSDSOJGSA-N 1 3 301.475 0.778 20 0 DCADHO CCCC[N@@H+](C)CCNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564854171 396881743 /nfs/dbraw/zinc/88/17/43/396881743.db2.gz JVWZJDWFJJSGNS-XHSDSOJGSA-N 1 3 301.475 0.778 20 0 DCADHO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564868927 396886039 /nfs/dbraw/zinc/88/60/39/396886039.db2.gz KVRSVQHNABUAEV-WCVJEAGWSA-N 1 3 301.475 0.775 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000376165889 396886693 /nfs/dbraw/zinc/88/66/93/396886693.db2.gz JIPGTMIZTJOZPS-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000376165889 396886697 /nfs/dbraw/zinc/88/66/97/396886697.db2.gz JIPGTMIZTJOZPS-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000332635318 396889397 /nfs/dbraw/zinc/88/93/97/396889397.db2.gz QNZXSOVXFSFBRQ-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000629976759 396902692 /nfs/dbraw/zinc/90/26/92/396902692.db2.gz BIFWUFZWOFCENZ-NVXWUHKLSA-N 1 3 322.497 0.955 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000611652412 396903664 /nfs/dbraw/zinc/90/36/64/396903664.db2.gz YRPKPYWJQZTAJK-KCQAQPDRSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000611652412 396903669 /nfs/dbraw/zinc/90/36/69/396903669.db2.gz YRPKPYWJQZTAJK-KCQAQPDRSA-N 1 3 322.453 0.186 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CCOCC2)CCCO1 ZINC000564954556 396909336 /nfs/dbraw/zinc/90/93/36/396909336.db2.gz USOJMSAUKPIOSB-CABCVRRESA-N 1 3 311.426 0.206 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333794840 396932767 /nfs/dbraw/zinc/93/27/67/396932767.db2.gz NBFNGJPQSCWBRW-UONOGXRCSA-N 1 3 311.474 0.310 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571921534 397001715 /nfs/dbraw/zinc/00/17/15/397001715.db2.gz XLTWASHQSDEAIG-FQUUOJAGSA-N 1 3 310.442 0.314 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)NCCN(C)C ZINC000572065902 397018832 /nfs/dbraw/zinc/01/88/32/397018832.db2.gz AQGMJFKQXCYWBQ-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346025142 397018929 /nfs/dbraw/zinc/01/89/29/397018929.db2.gz AAQAABUZLWLLGA-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346025142 397018932 /nfs/dbraw/zinc/01/89/32/397018932.db2.gz AAQAABUZLWLLGA-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000571639660 396971630 /nfs/dbraw/zinc/97/16/30/396971630.db2.gz CLSHCZHBNQYCDE-JOYOIKCWSA-N 1 3 300.366 0.867 20 0 DCADHO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CNCc2ccccc21 ZINC000572481171 397064596 /nfs/dbraw/zinc/06/45/96/397064596.db2.gz URYNZRPUMPTONP-KRWDZBQOSA-N 1 3 317.433 0.836 20 0 DCADHO N[C@H](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000377527323 397095522 /nfs/dbraw/zinc/09/55/22/397095522.db2.gz ZUKOZRJLKDZPDR-JKSUJKDBSA-N 1 3 302.422 0.583 20 0 DCADHO CN(CCCCC[N@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000572375877 397052552 /nfs/dbraw/zinc/05/25/52/397052552.db2.gz ZRWDVTNFIMZKLU-UHFFFAOYSA-N 1 3 300.447 0.548 20 0 DCADHO CN(CCCCC[N@@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000572375877 397052555 /nfs/dbraw/zinc/05/25/55/397052555.db2.gz ZRWDVTNFIMZKLU-UHFFFAOYSA-N 1 3 300.447 0.548 20 0 DCADHO CN(C)CCOC1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612969805 397166526 /nfs/dbraw/zinc/16/65/26/397166526.db2.gz GTFCHRJSQDTQTO-OAHLLOKOSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(N[C@H]1CC12CC[NH2+]CC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612994967 397175920 /nfs/dbraw/zinc/17/59/20/397175920.db2.gz KBSZRCGQBMDFKU-CABCVRRESA-N 1 3 322.453 0.681 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000573686853 397196161 /nfs/dbraw/zinc/19/61/61/397196161.db2.gz WKLZHSYDFQRNKE-STQMWFEESA-N 1 3 306.414 0.102 20 0 DCADHO O=C([C@H]1CCCN1C1CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620478675 397278114 /nfs/dbraw/zinc/27/81/14/397278114.db2.gz FHCBSWVZMNDQJQ-HZPDHXFCSA-N 1 3 307.438 0.671 20 0 DCADHO O=C([C@H]1CCCN1C1CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620478675 397278118 /nfs/dbraw/zinc/27/81/18/397278118.db2.gz FHCBSWVZMNDQJQ-HZPDHXFCSA-N 1 3 307.438 0.671 20 0 DCADHO CC1CCN(CC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000620483192 397279102 /nfs/dbraw/zinc/27/91/02/397279102.db2.gz ZZEYSFCMHWLPFV-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO CC1CCN(CC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000620483192 397279105 /nfs/dbraw/zinc/27/91/05/397279105.db2.gz ZZEYSFCMHWLPFV-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389962390 397299289 /nfs/dbraw/zinc/29/92/89/397299289.db2.gz WHPXCTXMHKBMSA-BPUTZDHNSA-N 1 3 305.422 0.987 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCOC[C@@H]1CCCO1 ZINC000577753498 397359212 /nfs/dbraw/zinc/35/92/12/397359212.db2.gz KDIURDAYDIPEPM-GJZGRUSLSA-N 1 3 313.442 0.502 20 0 DCADHO CCOC(=O)c1cc(CNCCCC[NH+]2CCN(C)CC2)on1 ZINC000602510775 397424647 /nfs/dbraw/zinc/42/46/47/397424647.db2.gz OBCBAJXWZOEKBD-UHFFFAOYSA-N 1 3 324.425 0.969 20 0 DCADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459706440 397435984 /nfs/dbraw/zinc/43/59/84/397435984.db2.gz NIVSXSUTLZNQGL-WMZOPIPTSA-N 1 3 319.449 0.614 20 0 DCADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459706440 397435988 /nfs/dbraw/zinc/43/59/88/397435988.db2.gz NIVSXSUTLZNQGL-WMZOPIPTSA-N 1 3 319.449 0.614 20 0 DCADHO C[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000578232500 397410271 /nfs/dbraw/zinc/41/02/71/397410271.db2.gz VEPFLPVNXCJVDD-XJKSGUPXSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000578232500 397410274 /nfs/dbraw/zinc/41/02/74/397410274.db2.gz VEPFLPVNXCJVDD-XJKSGUPXSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@H](O)C[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000578232500 397410277 /nfs/dbraw/zinc/41/02/77/397410277.db2.gz VEPFLPVNXCJVDD-XJKSGUPXSA-N 1 3 305.422 0.854 20 0 DCADHO CCCN(CC)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602483840 397417270 /nfs/dbraw/zinc/41/72/70/397417270.db2.gz JAWVBIJJOJQODW-FQEVSTJZSA-N 1 3 303.472 0.335 20 0 DCADHO CN1CCC[C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H]1c1cccs1 ZINC000479280471 397459405 /nfs/dbraw/zinc/45/94/05/397459405.db2.gz MPYWOYRDRMYVRI-BHPKHCPMSA-N 1 3 323.462 0.970 20 0 DCADHO COc1cnccc1N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000487599220 397475677 /nfs/dbraw/zinc/47/56/77/397475677.db2.gz OZOQCYOHLXYDEG-KGLIPLIRSA-N 1 3 318.421 0.937 20 0 DCADHO COc1cnccc1N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487599220 397475680 /nfs/dbraw/zinc/47/56/80/397475680.db2.gz OZOQCYOHLXYDEG-KGLIPLIRSA-N 1 3 318.421 0.937 20 0 DCADHO C[NH+](C)C/C=C/C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000491905773 397506563 /nfs/dbraw/zinc/50/65/63/397506563.db2.gz FNHNGKUXCKORIZ-YOCVDRLZSA-N 1 3 317.433 0.857 20 0 DCADHO Cc1ncc(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)n1C ZINC000579253283 397544329 /nfs/dbraw/zinc/54/43/29/397544329.db2.gz OJBBJWCLKRSXPQ-UHFFFAOYSA-N 1 3 307.442 0.761 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCOC1 ZINC001647306405 1172799860 /nfs/dbraw/zinc/79/98/60/1172799860.db2.gz QOQTVVVBJXGZJV-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCOC1 ZINC001647306405 1172799869 /nfs/dbraw/zinc/79/98/69/1172799869.db2.gz QOQTVVVBJXGZJV-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@@H]1CSCCN1 ZINC000133954343 286197841 /nfs/dbraw/zinc/19/78/41/286197841.db2.gz ZJWRKUXVLFVVIP-OLZOCXBDSA-N 1 3 303.472 0.555 20 0 DCADHO COCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[NH2+]CC1 ZINC000333807838 292239877 /nfs/dbraw/zinc/23/98/77/292239877.db2.gz ISZWUNNDNRBCAE-CABCVRRESA-N 1 3 324.469 0.881 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000061655660 158028302 /nfs/dbraw/zinc/02/83/02/158028302.db2.gz OKKZONPQIRIKMN-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000061655660 158028303 /nfs/dbraw/zinc/02/83/03/158028303.db2.gz OKKZONPQIRIKMN-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)N1CCC(C)CC1 ZINC000123929681 158235616 /nfs/dbraw/zinc/23/56/16/158235616.db2.gz XTNHZBBXGIBSEB-GDBMZVCRSA-N 1 3 314.474 0.719 20 0 DCADHO CC(C)C[C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)[NH+](C)C ZINC000126241298 158263601 /nfs/dbraw/zinc/26/36/01/158263601.db2.gz UDRKGYRHQSECHV-OCCSQVGLSA-N 1 3 300.447 0.178 20 0 DCADHO O=C(NCC1CC[NH+](CCO)CC1)[C@@H](C1CC1)N1CCCC1 ZINC000128001231 158278939 /nfs/dbraw/zinc/27/89/39/158278939.db2.gz RVKJHHOSSDIDFO-MRXNPFEDSA-N 1 3 309.454 0.681 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000316440372 159003039 /nfs/dbraw/zinc/00/30/39/159003039.db2.gz UWFGMGPAARLEQQ-BMRXWSCTSA-N 1 3 307.438 0.887 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000317084522 159003907 /nfs/dbraw/zinc/00/39/07/159003907.db2.gz OUJHZHVGLNOMGO-ZFWWWQNUSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000317084522 159003908 /nfs/dbraw/zinc/00/39/08/159003908.db2.gz OUJHZHVGLNOMGO-ZFWWWQNUSA-N 1 3 312.458 0.467 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341025429 159221704 /nfs/dbraw/zinc/22/17/04/159221704.db2.gz WSNDMGHGJIDSRE-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341025429 159221706 /nfs/dbraw/zinc/22/17/06/159221706.db2.gz WSNDMGHGJIDSRE-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(N)C(F)(F)F)CC1 ZINC000353451062 287085485 /nfs/dbraw/zinc/08/54/85/287085485.db2.gz PIUXDMHEDLGYSZ-KOLCDFICSA-N 1 3 311.348 0.427 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246578120 287085817 /nfs/dbraw/zinc/08/58/17/287085817.db2.gz WOCIMIHDYCACAO-ZIAGYGMSSA-N 1 3 300.447 0.546 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246578120 287085820 /nfs/dbraw/zinc/08/58/20/287085820.db2.gz WOCIMIHDYCACAO-ZIAGYGMSSA-N 1 3 300.447 0.546 20 0 DCADHO CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000334056045 287147815 /nfs/dbraw/zinc/14/78/15/287147815.db2.gz VIBGJWCUQVPDSB-XHSDSOJGSA-N 1 3 324.469 0.758 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418398987 287248184 /nfs/dbraw/zinc/24/81/84/287248184.db2.gz WVSVNOVCNCWVGT-KGLIPLIRSA-N 1 3 312.458 0.737 20 0 DCADHO C[NH2+]C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000420291828 287286491 /nfs/dbraw/zinc/28/64/91/287286491.db2.gz LCMNMHQNMUJSPK-WBVHZDCISA-N 1 3 318.465 0.947 20 0 DCADHO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000331564618 415134013 /nfs/dbraw/zinc/13/40/13/415134013.db2.gz UJZHLVXVELPWJB-CQSZACIVSA-N 1 3 324.469 0.711 20 0 DCADHO C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000331564618 415134018 /nfs/dbraw/zinc/13/40/18/415134018.db2.gz UJZHLVXVELPWJB-CQSZACIVSA-N 1 3 324.469 0.711 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331588647 415142643 /nfs/dbraw/zinc/14/26/43/415142643.db2.gz XZUWIYYQIMEPRK-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331588647 415142650 /nfs/dbraw/zinc/14/26/50/415142650.db2.gz XZUWIYYQIMEPRK-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000332088833 415236682 /nfs/dbraw/zinc/23/66/82/415236682.db2.gz KQKSJVMPKDNHBA-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000269308606 415249156 /nfs/dbraw/zinc/24/91/56/415249156.db2.gz VCUMIKUWNOVCOZ-DOTOQJQBSA-N 1 3 318.465 0.729 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000342689296 415253485 /nfs/dbraw/zinc/25/34/85/415253485.db2.gz DPAZUTNWQMOIHT-AWEZNQCLSA-N 1 3 313.442 0.895 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000342765416 415286979 /nfs/dbraw/zinc/28/69/79/415286979.db2.gz NXAGGCOIZXXFMJ-RYUDHWBXSA-N 1 3 301.431 0.750 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332448688 415400671 /nfs/dbraw/zinc/40/06/71/415400671.db2.gz KZIRIAOIWLXRRJ-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332448688 415400679 /nfs/dbraw/zinc/40/06/79/415400679.db2.gz KZIRIAOIWLXRRJ-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000332576406 415415042 /nfs/dbraw/zinc/41/50/42/415415042.db2.gz GCNHDWDXPNFMGU-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)C[NH+]1CCCCC1 ZINC000343200698 415498086 /nfs/dbraw/zinc/49/80/86/415498086.db2.gz UMUZEPJQEZQHMT-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332684461 415438482 /nfs/dbraw/zinc/43/84/82/415438482.db2.gz PNSUJCRJOSYTOD-HUUCEWRRSA-N 1 3 322.453 0.413 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000085401987 415506441 /nfs/dbraw/zinc/50/64/41/415506441.db2.gz WOCIMIHDYCACAO-KGLIPLIRSA-N 1 3 300.447 0.546 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000085401987 415506450 /nfs/dbraw/zinc/50/64/50/415506450.db2.gz WOCIMIHDYCACAO-KGLIPLIRSA-N 1 3 300.447 0.546 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)C(N)C(F)(F)F)CC2)CC1 ZINC000353424739 415536817 /nfs/dbraw/zinc/53/68/17/415536817.db2.gz ICGDEHCSMYSPGE-GFCCVEGCSA-N 1 3 322.375 0.551 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](C[NH3+])OC)N1CCc2ccccc2C1 ZINC000353424304 415537776 /nfs/dbraw/zinc/53/77/76/415537776.db2.gz FPDONPWSMPNTPK-HZPDHXFCSA-N 1 3 305.422 0.913 20 0 DCADHO C[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N(C)C1CC1 ZINC000333445643 415652164 /nfs/dbraw/zinc/65/21/64/415652164.db2.gz WTTSVXYNZCCIQZ-ZFWWWQNUSA-N 1 3 309.458 0.158 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000343708099 415692944 /nfs/dbraw/zinc/69/29/44/415692944.db2.gz AIFOJCQUYMGYQK-IAGOWNOFSA-N 1 3 320.481 0.853 20 0 DCADHO CC(C)OC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343746886 415710100 /nfs/dbraw/zinc/71/01/00/415710100.db2.gz XYTCZHCYAHMWKU-RDJZCZTQSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000333811900 415744077 /nfs/dbraw/zinc/74/40/77/415744077.db2.gz PRYOOMLHPPWOEO-GJZGRUSLSA-N 1 3 312.458 0.785 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289949678 415738160 /nfs/dbraw/zinc/73/81/60/415738160.db2.gz MCHMGUXUSMVKJB-CVEARBPZSA-N 1 3 305.422 0.641 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289949678 415738167 /nfs/dbraw/zinc/73/81/67/415738167.db2.gz MCHMGUXUSMVKJB-CVEARBPZSA-N 1 3 305.422 0.641 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343921946 415782412 /nfs/dbraw/zinc/78/24/12/415782412.db2.gz JMLGXEFRTZPWNG-BRWVUGGUSA-N 1 3 321.469 0.202 20 0 DCADHO COCC[NH+]1CCC(N[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000344267183 415877770 /nfs/dbraw/zinc/87/77/70/415877770.db2.gz VORMYUQDEGHTIX-HOCLYGCPSA-N 1 3 308.426 0.951 20 0 DCADHO CC[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N(C)C ZINC000356485583 415929094 /nfs/dbraw/zinc/92/90/94/415929094.db2.gz VOFCJKDZFVTGPN-AWEZNQCLSA-N 1 3 308.426 0.978 20 0 DCADHO CCN1C[C@H](C)[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000344353637 415896656 /nfs/dbraw/zinc/89/66/56/415896656.db2.gz SPBSFBVMQJDLJN-DLBZAZTESA-N 1 3 312.502 0.306 20 0 DCADHO CN1CCN(c2ncc(CNC3CC[NH+](C)CC3)cn2)CC1 ZINC000133644048 415949661 /nfs/dbraw/zinc/94/96/61/415949661.db2.gz SHURQBFTYFDGLU-UHFFFAOYSA-N 1 3 304.442 0.412 20 0 DCADHO CN1CCC([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000133644048 415949665 /nfs/dbraw/zinc/94/96/65/415949665.db2.gz SHURQBFTYFDGLU-UHFFFAOYSA-N 1 3 304.442 0.412 20 0 DCADHO COCCN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155205971 415994382 /nfs/dbraw/zinc/99/43/82/415994382.db2.gz CTZADZQKLBENPE-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO COCCN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155205971 415994384 /nfs/dbraw/zinc/99/43/84/415994384.db2.gz CTZADZQKLBENPE-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC000132553090 415933501 /nfs/dbraw/zinc/93/35/01/415933501.db2.gz QHILRUPICMKSHZ-INIZCTEOSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000296555867 415933709 /nfs/dbraw/zinc/93/37/09/415933709.db2.gz UWQGAUOSBUTJOY-UONOGXRCSA-N 1 3 303.410 0.818 20 0 DCADHO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000345165966 416055039 /nfs/dbraw/zinc/05/50/39/416055039.db2.gz ZYIXBDSFTPZZDG-KBPBESRZSA-N 1 3 305.488 0.978 20 0 DCADHO [NH3+]CCOCCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000357036152 416023894 /nfs/dbraw/zinc/02/38/94/416023894.db2.gz WRIZCLJKEMITRW-UHFFFAOYSA-N 1 3 309.385 0.995 20 0 DCADHO CCN1CCN(CCC(=O)NCCCn2ccnc2C)CC1 ZINC000338051973 416039695 /nfs/dbraw/zinc/03/96/95/416039695.db2.gz CGBNFOYNBQMRPT-UHFFFAOYSA-N 1 3 307.442 0.725 20 0 DCADHO CC[NH+]1CCN(CCC(=O)NCCCn2ccnc2C)CC1 ZINC000338051973 416039698 /nfs/dbraw/zinc/03/96/98/416039698.db2.gz CGBNFOYNBQMRPT-UHFFFAOYSA-N 1 3 307.442 0.725 20 0 DCADHO Cn1nccc1CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000322749466 416121267 /nfs/dbraw/zinc/12/12/67/416121267.db2.gz CAAVHYRISMQLMN-GDBMZVCRSA-N 1 3 319.453 0.543 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CN2CCN1CCC2)[NH+]1CCCCC1 ZINC000345743417 416141231 /nfs/dbraw/zinc/14/12/31/416141231.db2.gz BNCFLBJNONZYII-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340805357 416194709 /nfs/dbraw/zinc/19/47/09/416194709.db2.gz VCZMFEKRSQJGIX-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340805357 416194712 /nfs/dbraw/zinc/19/47/12/416194712.db2.gz VCZMFEKRSQJGIX-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000341655748 416219770 /nfs/dbraw/zinc/21/97/70/416219770.db2.gz VFIBACGKSDXLOX-ZFWWWQNUSA-N 1 3 312.458 0.737 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000341655748 416219772 /nfs/dbraw/zinc/21/97/72/416219772.db2.gz VFIBACGKSDXLOX-ZFWWWQNUSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000341947457 416255106 /nfs/dbraw/zinc/25/51/06/416255106.db2.gz NFPBIAHSPKIKOP-CJNGLKHVSA-N 1 3 324.469 0.473 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000341979758 416262990 /nfs/dbraw/zinc/26/29/90/416262990.db2.gz GGRXGVAPQDDUIL-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000341979758 416262995 /nfs/dbraw/zinc/26/29/95/416262995.db2.gz GGRXGVAPQDDUIL-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000359258728 416316987 /nfs/dbraw/zinc/31/69/87/416316987.db2.gz FMMZRTJTBUCVHR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000359258728 416316991 /nfs/dbraw/zinc/31/69/91/416316991.db2.gz FMMZRTJTBUCVHR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000351693242 416280718 /nfs/dbraw/zinc/28/07/18/416280718.db2.gz NQSCHVFEIZINSM-LBPRGKRZSA-N 1 3 308.430 1.221 20 0 DCADHO C[C@H](CN(C)C)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000351693241 416281788 /nfs/dbraw/zinc/28/17/88/416281788.db2.gz NQSCHVFEIZINSM-GFCCVEGCSA-N 1 3 308.430 1.221 20 0 DCADHO [NH3+]CC[C@@H](NC(=O)NCCNc1ccncc1)C(F)(F)F ZINC000416009906 416358514 /nfs/dbraw/zinc/35/85/14/416358514.db2.gz PUORMIDMVKBKPS-SNVBAGLBSA-N 1 3 305.304 0.494 20 0 DCADHO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])ccc1CN(C)C ZINC000415417214 416342012 /nfs/dbraw/zinc/34/20/12/416342012.db2.gz MEIBHKZSUNPFLE-LBPRGKRZSA-N 1 3 306.410 0.801 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000360184601 416378203 /nfs/dbraw/zinc/37/82/03/416378203.db2.gz LQLUMHJNUJCDBQ-AWEZNQCLSA-N 1 3 324.469 0.601 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000360184601 416378205 /nfs/dbraw/zinc/37/82/05/416378205.db2.gz LQLUMHJNUJCDBQ-AWEZNQCLSA-N 1 3 324.469 0.601 20 0 DCADHO CCCN(CCN1CCCC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418304137 416385959 /nfs/dbraw/zinc/38/59/59/416385959.db2.gz XCIGQFVRRROMRZ-UHFFFAOYSA-N 1 3 311.474 0.409 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418442293 416387107 /nfs/dbraw/zinc/38/71/07/416387107.db2.gz JRAJLSNBQIKVII-KBPBESRZSA-N 1 3 300.447 0.650 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418707082 416389323 /nfs/dbraw/zinc/38/93/23/416389323.db2.gz IBBZVNBATFTUEV-ZDUSSCGKSA-N 1 3 313.446 0.015 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418961307 416394553 /nfs/dbraw/zinc/39/45/53/416394553.db2.gz JODHHGJPMFEQRK-KBPBESRZSA-N 1 3 320.437 0.477 20 0 DCADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000360782362 416410537 /nfs/dbraw/zinc/41/05/37/416410537.db2.gz CNDMAQJRKBJNKM-CQSZACIVSA-N 1 3 314.474 0.863 20 0 DCADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000360782362 416410538 /nfs/dbraw/zinc/41/05/38/416410538.db2.gz CNDMAQJRKBJNKM-CQSZACIVSA-N 1 3 314.474 0.863 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nn1 ZINC000423113995 416467763 /nfs/dbraw/zinc/46/77/63/416467763.db2.gz ZQCOJXMGJDDSJU-MELADBBJSA-N 1 3 321.425 0.965 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C[N@@H+]1C1CC1 ZINC000458511713 416475611 /nfs/dbraw/zinc/47/56/11/416475611.db2.gz JCXNWWYSRDSNAE-KFWWJZLASA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C[N@H+]1C1CC1 ZINC000458511713 416475614 /nfs/dbraw/zinc/47/56/14/416475614.db2.gz JCXNWWYSRDSNAE-KFWWJZLASA-N 1 3 324.469 0.758 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000361111814 416421669 /nfs/dbraw/zinc/42/16/69/416421669.db2.gz SJKZNXWIWOZGMT-JKSUJKDBSA-N 1 3 308.470 0.518 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)[N@H+](C)C1CC1 ZINC000422309535 416425443 /nfs/dbraw/zinc/42/54/43/416425443.db2.gz UBLPLYCLOCQUQB-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)[N@@H+](C)C1CC1 ZINC000422309535 416425445 /nfs/dbraw/zinc/42/54/45/416425445.db2.gz UBLPLYCLOCQUQB-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000422977942 416455111 /nfs/dbraw/zinc/45/51/11/416455111.db2.gz YANKBXFLNTWYKV-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC1(C)CC(NC(=O)[C@@H]2CN3CCN2CCC3)CC(C)(C)[NH2+]1 ZINC000535717378 416526458 /nfs/dbraw/zinc/52/64/58/416526458.db2.gz JBMSDHMUVHAKEL-AWEZNQCLSA-N 1 3 308.470 0.802 20 0 DCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@H]([NH3+])C1)Cc1ccco1 ZINC000423637108 416532903 /nfs/dbraw/zinc/53/29/03/416532903.db2.gz SXFVAUKCFCSBNN-ZDUSSCGKSA-N 1 3 322.409 0.120 20 0 DCADHO C[C@H]1CN(CCCN2CCCC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536544177 416544747 /nfs/dbraw/zinc/54/47/47/416544747.db2.gz ZVEUYILGTUOWDZ-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000423722986 416549298 /nfs/dbraw/zinc/54/92/98/416549298.db2.gz KRKOLSMCSIKNIH-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458858937 416507930 /nfs/dbraw/zinc/50/79/30/416507930.db2.gz UNUMWWOWJICJEH-MRXNPFEDSA-N 1 3 312.458 0.618 20 0 DCADHO COCCCN(C)CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423416581 416508095 /nfs/dbraw/zinc/50/80/95/416508095.db2.gz CWWLCJKIUCSUFU-HNNXBMFYSA-N 1 3 323.441 0.506 20 0 DCADHO C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000584230628 416509537 /nfs/dbraw/zinc/50/95/37/416509537.db2.gz OZPFXIKGWREJPF-CZUORRHYSA-N 1 3 310.442 0.093 20 0 DCADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423443354 416511357 /nfs/dbraw/zinc/51/13/57/416511357.db2.gz XCLWYBZMYBMOJI-PBHICJAKSA-N 1 3 307.438 0.890 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000423765386 416564619 /nfs/dbraw/zinc/56/46/19/416564619.db2.gz WXGJKENUJQRKPZ-LSDHHAIUSA-N 1 3 309.385 0.657 20 0 DCADHO C[C@H](CC(=O)N1CCO[C@@H]2CCN(C)C[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000423928654 416593837 /nfs/dbraw/zinc/59/38/37/416593837.db2.gz HMNQNKAXHTYGOA-KLHDSHLOSA-N 1 3 309.454 0.944 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000439076452 416607272 /nfs/dbraw/zinc/60/72/72/416607272.db2.gz JQVCVMNTEOIFNA-KBPBESRZSA-N 1 3 321.487 0.262 20 0 DCADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000539812431 416586440 /nfs/dbraw/zinc/58/64/40/416586440.db2.gz BZFNZGRIDUNNJR-PMPSAXMXSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000539812431 416586444 /nfs/dbraw/zinc/58/64/44/416586444.db2.gz BZFNZGRIDUNNJR-PMPSAXMXSA-N 1 3 308.470 0.565 20 0 DCADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCN2CCC[C@H]2C1 ZINC000424144541 416617488 /nfs/dbraw/zinc/61/74/88/416617488.db2.gz LPHFSJLKZHIRTE-OLZOCXBDSA-N 1 3 304.398 0.123 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N(C)C ZINC000366236290 416621165 /nfs/dbraw/zinc/62/11/65/416621165.db2.gz LEUYKPMKGWMUDB-JKSUJKDBSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N(C)C ZINC000366236290 416621166 /nfs/dbraw/zinc/62/11/66/416621166.db2.gz LEUYKPMKGWMUDB-JKSUJKDBSA-N 1 3 310.486 0.954 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424194185 416626186 /nfs/dbraw/zinc/62/61/86/416626186.db2.gz RWXBFXQPDIRSCK-MCIONIFRSA-N 1 3 311.426 0.600 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N(CC)CC ZINC000424222611 416628805 /nfs/dbraw/zinc/62/88/05/416628805.db2.gz FQYPDUUCVQKTNP-RRFJBIMHSA-N 1 3 307.442 0.794 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2=CCN(C)CC2)c1 ZINC000424457537 416648763 /nfs/dbraw/zinc/64/87/63/416648763.db2.gz RMHRBZJGSXTLFV-UHFFFAOYSA-N 1 3 316.405 0.770 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000516853233 416745751 /nfs/dbraw/zinc/74/57/51/416745751.db2.gz ALUNZGJCJWEMJS-UHFFFAOYSA-N 1 3 300.447 0.195 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000515386207 416699553 /nfs/dbraw/zinc/69/95/53/416699553.db2.gz IRKVFHYAGLHEEF-LSDHHAIUSA-N 1 3 308.470 0.661 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000516264195 416719985 /nfs/dbraw/zinc/71/99/85/416719985.db2.gz CFXUCHMHIJOEDC-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000516939323 416761373 /nfs/dbraw/zinc/76/13/73/416761373.db2.gz UPRWVWQENODENU-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H](N)c1ccccc1 ZINC000631903218 416784891 /nfs/dbraw/zinc/78/48/91/416784891.db2.gz BWNTWUHBBIFJPR-AWEZNQCLSA-N 1 3 312.439 0.205 20 0 DCADHO C[C@@H]1CC2(CN1S(=O)(=O)CCCN(C)C)CC[NH2+]CC2 ZINC000631946628 416824685 /nfs/dbraw/zinc/82/46/85/416824685.db2.gz FYRJAJHDCWUPKC-CYBMUJFWSA-N 1 3 303.472 0.732 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCN3)cc2)C1 ZINC000444169825 416811210 /nfs/dbraw/zinc/81/12/10/416811210.db2.gz SUWBGIQIEDHNIR-DZGCQCFKSA-N 1 3 316.405 0.684 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCN3)cc2)C1 ZINC000444169825 416811219 /nfs/dbraw/zinc/81/12/19/416811219.db2.gz SUWBGIQIEDHNIR-DZGCQCFKSA-N 1 3 316.405 0.684 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631938469 416818304 /nfs/dbraw/zinc/81/83/04/416818304.db2.gz FCADXFSSCHDZTQ-KBPBESRZSA-N 1 3 301.456 0.486 20 0 DCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000562754558 416871042 /nfs/dbraw/zinc/87/10/42/416871042.db2.gz MFANHLXFMBJTMK-VXGBXAGGSA-N 1 3 324.429 0.679 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCCN1C1CCOCC1 ZINC000519151138 416894509 /nfs/dbraw/zinc/89/45/09/416894509.db2.gz GBQGYFPXXUPMRF-MRXNPFEDSA-N 1 3 324.469 0.041 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369778510 416828468 /nfs/dbraw/zinc/82/84/68/416828468.db2.gz RDDXEYDLWFUAAB-CVEARBPZSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCC[NH2+]C1 ZINC000518501219 416858691 /nfs/dbraw/zinc/85/86/91/416858691.db2.gz FCEBYOZAHWFDRR-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000565238291 416956468 /nfs/dbraw/zinc/95/64/68/416956468.db2.gz GDUMOTYSQMGUON-HUUCEWRRSA-N 1 3 316.405 0.132 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000565254259 416960118 /nfs/dbraw/zinc/96/01/18/416960118.db2.gz MKBKWXPCOAFKGX-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000519396030 416903579 /nfs/dbraw/zinc/90/35/79/416903579.db2.gz UDPSUKNPHBBVIO-CGEFAEBTSA-N 1 3 307.438 0.587 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC000371534462 416918068 /nfs/dbraw/zinc/91/80/68/416918068.db2.gz NYIXTLFTTLNXRD-KBPBESRZSA-N 1 3 320.441 1.003 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC000632336030 417028297 /nfs/dbraw/zinc/02/82/97/417028297.db2.gz AAAHRIPIHBETIX-HIFRSBDPSA-N 1 3 305.426 0.611 20 0 DCADHO NC(C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C(F)(F)F ZINC000521872711 417032455 /nfs/dbraw/zinc/03/24/55/417032455.db2.gz ARTKHKQHYJLKAZ-VWYCJHECSA-N 1 3 309.332 0.621 20 0 DCADHO CC(C)[C@@H](C[NH2+]C[C@H](O)CN(C)C1CC1)N1CCN(C)CC1 ZINC000520797324 416976544 /nfs/dbraw/zinc/97/65/44/416976544.db2.gz DDVKEXKFJAAJIR-DLBZAZTESA-N 1 3 312.502 0.303 20 0 DCADHO CC(C)[C@@H](CNC[C@H](O)C[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000520797324 416976548 /nfs/dbraw/zinc/97/65/48/416976548.db2.gz DDVKEXKFJAAJIR-DLBZAZTESA-N 1 3 312.502 0.303 20 0 DCADHO CC(C)[C@@H](CNC[C@H](O)C[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000520797324 416976551 /nfs/dbraw/zinc/97/65/51/416976551.db2.gz DDVKEXKFJAAJIR-DLBZAZTESA-N 1 3 312.502 0.303 20 0 DCADHO C[N@@H+]1CC[C@@H](NCC(=O)N2CCNCC2)C[C@@H]1c1ccccc1 ZINC000565416138 416977356 /nfs/dbraw/zinc/97/73/56/416977356.db2.gz XSJNMNLTMAFGRQ-IAGOWNOFSA-N 1 3 316.449 0.843 20 0 DCADHO C[N@H+]1CC[C@@H](NCC(=O)N2CCNCC2)C[C@@H]1c1ccccc1 ZINC000565416138 416977362 /nfs/dbraw/zinc/97/73/62/416977362.db2.gz XSJNMNLTMAFGRQ-IAGOWNOFSA-N 1 3 316.449 0.843 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000624228487 416982827 /nfs/dbraw/zinc/98/28/27/416982827.db2.gz UBULBFFZSBKUIJ-BBWFWOEESA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000624228487 416982834 /nfs/dbraw/zinc/98/28/34/416982834.db2.gz UBULBFFZSBKUIJ-BBWFWOEESA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000624228487 416982842 /nfs/dbraw/zinc/98/28/42/416982842.db2.gz UBULBFFZSBKUIJ-BBWFWOEESA-N 1 3 313.486 0.780 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000375719751 417010307 /nfs/dbraw/zinc/01/03/07/417010307.db2.gz OWGOMALQJUZGOB-QWHCGFSZSA-N 1 3 307.394 0.706 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@@H]1C[NH3+] ZINC000642785697 417097776 /nfs/dbraw/zinc/09/77/76/417097776.db2.gz DNGNBTMVILMYTD-SNPRPXQTSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785738 417099163 /nfs/dbraw/zinc/09/91/63/417099163.db2.gz GHBNMQHZMDLRKL-AEGPPILISA-N 1 3 322.453 0.315 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000642785709 417099855 /nfs/dbraw/zinc/09/98/55/417099855.db2.gz DUGQXFBDBCOSJX-WFASDCNBSA-N 1 3 322.453 0.173 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(c2ccncc2)CC1 ZINC000637233772 417040724 /nfs/dbraw/zinc/04/07/24/417040724.db2.gz JWWMQKJJLNFZEE-AWEZNQCLSA-N 1 3 303.410 0.913 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000642439361 417051933 /nfs/dbraw/zinc/05/19/33/417051933.db2.gz CKOZSNQDEUTVGC-CZUORRHYSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000642439375 417053629 /nfs/dbraw/zinc/05/36/29/417053629.db2.gz DCKBUXCMBQAUKU-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO O=C(COC1CNC1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000430710647 417064391 /nfs/dbraw/zinc/06/43/91/417064391.db2.gz TUXPTSDNVFRETP-UHFFFAOYSA-N 1 3 311.426 0.126 20 0 DCADHO Cc1c(C(=O)NCCN2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000430825028 417070083 /nfs/dbraw/zinc/07/00/83/417070083.db2.gz RQEWAPJDPWBVQY-UHFFFAOYSA-N 1 3 306.414 0.337 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC[NH2+]C1CC1 ZINC000637330293 417073241 /nfs/dbraw/zinc/07/32/41/417073241.db2.gz ULIPVUSUQRTXFG-UHFFFAOYSA-N 1 3 305.426 0.907 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NCC[NH2+]C3CC3)CC2)C1 ZINC000637363452 417080243 /nfs/dbraw/zinc/08/02/43/417080243.db2.gz ZPPUTKHJUXNORM-HNNXBMFYSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000642732173 417084001 /nfs/dbraw/zinc/08/40/01/417084001.db2.gz QIWVXKVVVOTMSO-YOEHRIQHSA-N 1 3 322.453 0.047 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000642732131 417084471 /nfs/dbraw/zinc/08/44/71/417084471.db2.gz CDMDVWRPOKJRIO-BARDWOONSA-N 1 3 322.453 0.030 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000642801252 417104047 /nfs/dbraw/zinc/10/40/47/417104047.db2.gz QXFLJZSIJASHBB-MRXNPFEDSA-N 1 3 310.442 0.047 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642901690 417112470 /nfs/dbraw/zinc/11/24/70/417112470.db2.gz AUYLHNXDZFTIKI-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903446 417115851 /nfs/dbraw/zinc/11/58/51/417115851.db2.gz JDZHTYMQXJYXFF-KFWWJZLASA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000642907542 417118151 /nfs/dbraw/zinc/11/81/51/417118151.db2.gz AUAHTMGTFMCXOM-LLVKDONJSA-N 1 3 312.439 0.102 20 0 DCADHO O=C(C[C@@H]1CNCCO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430722962 287350690 /nfs/dbraw/zinc/35/06/90/287350690.db2.gz RETRHYDHTWSTBX-CQSZACIVSA-N 1 3 311.426 0.126 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000637507298 417126868 /nfs/dbraw/zinc/12/68/68/417126868.db2.gz FPMGNRGTDLULTN-GJZGRUSLSA-N 1 3 312.458 0.689 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642981316 417134342 /nfs/dbraw/zinc/13/43/42/417134342.db2.gz YIOYIJHULZYNRN-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449322175 417138868 /nfs/dbraw/zinc/13/88/68/417138868.db2.gz WNCJSZWSJVRODY-KGLIPLIRSA-N 1 3 320.441 0.634 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000642985922 417139424 /nfs/dbraw/zinc/13/94/24/417139424.db2.gz PVMPVGNVLKLSHD-LJISPDSOSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000632544842 417153862 /nfs/dbraw/zinc/15/38/62/417153862.db2.gz OFDFWOPFMXSKOK-CYBMUJFWSA-N 1 3 305.488 0.978 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000632544842 417153864 /nfs/dbraw/zinc/15/38/64/417153864.db2.gz OFDFWOPFMXSKOK-CYBMUJFWSA-N 1 3 305.488 0.978 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC000637657247 417158374 /nfs/dbraw/zinc/15/83/74/417158374.db2.gz VSRPOJNAQBBKRR-MCIONIFRSA-N 1 3 300.447 0.687 20 0 DCADHO CCN1CCC[C@H](NC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000626945963 417184837 /nfs/dbraw/zinc/18/48/37/417184837.db2.gz JWOQGDRFDDTLDX-GXTWGEPZSA-N 1 3 321.429 0.096 20 0 DCADHO COC[C@]1(C(=O)NC[C@@H](N)c2ccccc2OC)CCCC[NH2+]1 ZINC000637804920 417189308 /nfs/dbraw/zinc/18/93/08/417189308.db2.gz SVRYOBOXZDFAGF-PBHICJAKSA-N 1 3 321.421 0.970 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637805593 417190237 /nfs/dbraw/zinc/19/02/37/417190237.db2.gz ZYWHAPUNMJMMNH-XJKSGUPXSA-N 1 3 307.394 0.567 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000637839316 417203007 /nfs/dbraw/zinc/20/30/07/417203007.db2.gz IXGIRJKYZSGWDD-OAHLLOKOSA-N 1 3 304.438 0.833 20 0 DCADHO C[C@@H](C[NH3+])N(C)C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637845312 417205495 /nfs/dbraw/zinc/20/54/95/417205495.db2.gz WKCVWINULWFULT-NSHDSACASA-N 1 3 319.409 0.723 20 0 DCADHO CN1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000637863414 417211944 /nfs/dbraw/zinc/21/19/44/417211944.db2.gz BJUPAFWDJKZSOP-SJORKVTESA-N 1 3 316.449 0.610 20 0 DCADHO CN1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000637863414 417211949 /nfs/dbraw/zinc/21/19/49/417211949.db2.gz BJUPAFWDJKZSOP-SJORKVTESA-N 1 3 316.449 0.610 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000643500350 417227998 /nfs/dbraw/zinc/22/79/98/417227998.db2.gz HXSAIZVQUCHJOU-ZNMIVQPWSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCCO1 ZINC000414183033 417265322 /nfs/dbraw/zinc/26/53/22/417265322.db2.gz DPGUYQIJCMPHBB-HZPDHXFCSA-N 1 3 311.470 0.940 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@]1(CO)COCC2(CCC2)N1C ZINC000527953559 417286447 /nfs/dbraw/zinc/28/64/47/417286447.db2.gz XALGYYOONZQAAD-INMHGKMJSA-N 1 3 311.470 0.532 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@]1(CO)COCC2(CCC2)N1C ZINC000527953559 417286456 /nfs/dbraw/zinc/28/64/56/417286456.db2.gz XALGYYOONZQAAD-INMHGKMJSA-N 1 3 311.470 0.532 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)NC2CCN(C)CC2)CCCO1 ZINC000433285797 417245934 /nfs/dbraw/zinc/24/59/34/417245934.db2.gz TWSWGLUTMYSPAS-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)NC2CCN(C)CC2)CCCO1 ZINC000433285797 417245941 /nfs/dbraw/zinc/24/59/41/417245941.db2.gz TWSWGLUTMYSPAS-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000643571228 417246814 /nfs/dbraw/zinc/24/68/14/417246814.db2.gz WELAATBHXUITQS-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCN2CCC[C@H]2C1 ZINC000433380393 417259136 /nfs/dbraw/zinc/25/91/36/417259136.db2.gz BHWFMKQVAXLKNI-OLZOCXBDSA-N 1 3 304.398 0.123 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000569826470 417300915 /nfs/dbraw/zinc/30/09/15/417300915.db2.gz XWNMLAAKQVHXAU-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCN(c2ncc(CN[C@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000414810677 417306286 /nfs/dbraw/zinc/30/62/86/417306286.db2.gz VPVRQRARQFCWPH-HOTGVXAUSA-N 1 3 318.469 0.836 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@H](CO)CN2CCCCC2)cn1 ZINC000632997985 417312769 /nfs/dbraw/zinc/31/27/69/417312769.db2.gz JSHOKFSYHBLBHD-HNNXBMFYSA-N 1 3 323.441 0.021 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000414886240 417314916 /nfs/dbraw/zinc/31/49/16/417314916.db2.gz VTYKRBPINMUJTB-LBPRGKRZSA-N 1 3 318.421 0.943 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621841451 417319944 /nfs/dbraw/zinc/31/99/44/417319944.db2.gz VNBDDWCMXICZMU-CZUORRHYSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633027074 417326344 /nfs/dbraw/zinc/32/63/44/417326344.db2.gz ARQFZGNPIBXBCD-KBPBESRZSA-N 1 3 302.378 0.259 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415214117 417344639 /nfs/dbraw/zinc/34/46/39/417344639.db2.gz MOAORDJYGISKDC-QWHCGFSZSA-N 1 3 308.430 1.084 20 0 DCADHO CO[C@@](C)(CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000643774413 417347667 /nfs/dbraw/zinc/34/76/67/417347667.db2.gz IIRRLVQHFGVIFL-INIZCTEOSA-N 1 3 314.474 0.936 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000638264504 417394818 /nfs/dbraw/zinc/39/48/18/417394818.db2.gz XQSFZAINQVQZFB-CABCVRRESA-N 1 3 319.453 0.906 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000571102590 417424531 /nfs/dbraw/zinc/42/45/31/417424531.db2.gz PYNYFFAFKSVQQV-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000571102590 417424536 /nfs/dbraw/zinc/42/45/36/417424536.db2.gz PYNYFFAFKSVQQV-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCn1c2cc(C(=O)N(C)CC[NH3+])ccc2[nH]c1=O ZINC000638344059 417427993 /nfs/dbraw/zinc/42/79/93/417427993.db2.gz RMFVDDXXPMRFAL-UHFFFAOYSA-N 1 3 305.382 0.334 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000622029657 417372845 /nfs/dbraw/zinc/37/28/45/417372845.db2.gz JRRYNKMVBDNQEH-CXAGYDPISA-N 1 3 322.453 0.269 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000622029659 417373000 /nfs/dbraw/zinc/37/30/00/417373000.db2.gz JRRYNKMVBDNQEH-GUYCJALGSA-N 1 3 322.453 0.269 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638211099 417376705 /nfs/dbraw/zinc/37/67/05/417376705.db2.gz PKRFINNSEOZAQO-KBPBESRZSA-N 1 3 301.431 0.228 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638575306 417493482 /nfs/dbraw/zinc/49/34/82/417493482.db2.gz FPDLUBUIZGWLKL-HRCADAONSA-N 1 3 304.438 0.702 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000529329545 417441135 /nfs/dbraw/zinc/44/11/35/417441135.db2.gz JPCSNVJLFVILQX-CQSZACIVSA-N 1 3 323.485 0.596 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000633678326 417476385 /nfs/dbraw/zinc/47/63/85/417476385.db2.gz CWAJCFWAHIDNHT-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000633678326 417476391 /nfs/dbraw/zinc/47/63/91/417476391.db2.gz CWAJCFWAHIDNHT-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526771 417482140 /nfs/dbraw/zinc/48/21/40/417482140.db2.gz PRCNNNDKHMZFLL-SWLSCSKDSA-N 1 3 318.421 0.915 20 0 DCADHO CC[C@H](NCC1CN(S(=O)(=O)CC)C1)[C@H]1CCCC[NH2+]1 ZINC000575373830 417529769 /nfs/dbraw/zinc/52/97/69/417529769.db2.gz HJTUAJYUAHYJLS-UONOGXRCSA-N 1 3 303.472 0.778 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000638592018 417498713 /nfs/dbraw/zinc/49/87/13/417498713.db2.gz JWJXJHAWZURNCL-ZDUSSCGKSA-N 1 3 300.447 0.770 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000575152431 417516359 /nfs/dbraw/zinc/51/63/59/417516359.db2.gz XXKCDYRXXIMUJH-IAGOWNOFSA-N 1 3 317.433 0.474 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000575152431 417516365 /nfs/dbraw/zinc/51/63/65/417516365.db2.gz XXKCDYRXXIMUJH-IAGOWNOFSA-N 1 3 317.433 0.474 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000575152430 417517735 /nfs/dbraw/zinc/51/77/35/417517735.db2.gz XXKCDYRXXIMUJH-DLBZAZTESA-N 1 3 317.433 0.474 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000575152430 417517741 /nfs/dbraw/zinc/51/77/41/417517741.db2.gz XXKCDYRXXIMUJH-DLBZAZTESA-N 1 3 317.433 0.474 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NCCN1CCC(OC)CC1 ZINC000638653535 417526979 /nfs/dbraw/zinc/52/69/79/417526979.db2.gz LWVJOGZNOPQOAZ-CYBMUJFWSA-N 1 3 300.447 0.914 20 0 DCADHO O=C(CC1(N2CCOCC2)CCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926262 417587624 /nfs/dbraw/zinc/58/76/24/417587624.db2.gz XWHTZGAMDWUGGO-GASCZTMLSA-N 1 3 307.438 0.984 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638986133 417600003 /nfs/dbraw/zinc/60/00/03/417600003.db2.gz VYCBGSGQMAGTFI-RHSMWYFYSA-N 1 3 315.421 0.819 20 0 DCADHO COCCCN1CCC(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000576343716 417601089 /nfs/dbraw/zinc/60/10/89/417601089.db2.gz ZANCLQPFJJBLPR-STQMWFEESA-N 1 3 300.447 0.912 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2)cc1 ZINC000639001010 417602042 /nfs/dbraw/zinc/60/20/42/417602042.db2.gz FABXPSXYUQSXTI-IRXDYDNUSA-N 1 3 318.465 0.965 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638833286 417564246 /nfs/dbraw/zinc/56/42/46/417564246.db2.gz UHZFLVCFGXMOPT-OAHLLOKOSA-N 1 3 315.458 0.701 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000440250263 287395785 /nfs/dbraw/zinc/39/57/85/287395785.db2.gz ZNMZNSQWDNAMAQ-CQSZACIVSA-N 1 3 300.447 0.689 20 0 DCADHO CCC[NH2+]CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000639169502 417633011 /nfs/dbraw/zinc/63/30/11/417633011.db2.gz VAWCIWOIVYYVAQ-OAHLLOKOSA-N 1 3 311.474 0.407 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000628748586 417684600 /nfs/dbraw/zinc/68/46/00/417684600.db2.gz BHMUUMRPJVIWIP-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000628748586 417684608 /nfs/dbraw/zinc/68/46/08/417684608.db2.gz BHMUUMRPJVIWIP-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@H]1C[N@H+](CCc2cnccn2)CC[C@@H]1N1CCN(C)CC1 ZINC000639553335 417693034 /nfs/dbraw/zinc/69/30/34/417693034.db2.gz MJOUJWHFQVYTGQ-RDJZCZTQSA-N 1 3 303.454 0.977 20 0 DCADHO C[C@H]1C[N@@H+](CCc2cnccn2)CC[C@@H]1N1CCN(C)CC1 ZINC000639553335 417693036 /nfs/dbraw/zinc/69/30/36/417693036.db2.gz MJOUJWHFQVYTGQ-RDJZCZTQSA-N 1 3 303.454 0.977 20 0 DCADHO C[C@H]1C[N@H+](CCc2cncn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000639554416 417694320 /nfs/dbraw/zinc/69/43/20/417694320.db2.gz SXRHKNHGROSTMX-RDJZCZTQSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@H]1C[N@@H+](CCc2cncn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000639554416 417694322 /nfs/dbraw/zinc/69/43/22/417694322.db2.gz SXRHKNHGROSTMX-RDJZCZTQSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@H]1CN(CCc2cncn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000639554416 417694327 /nfs/dbraw/zinc/69/43/27/417694327.db2.gz SXRHKNHGROSTMX-RDJZCZTQSA-N 1 3 305.470 0.920 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635560255 417701059 /nfs/dbraw/zinc/70/10/59/417701059.db2.gz JUHCRWJLTOYAAO-CVEARBPZSA-N 1 3 310.486 0.718 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635560255 417701064 /nfs/dbraw/zinc/70/10/64/417701064.db2.gz JUHCRWJLTOYAAO-CVEARBPZSA-N 1 3 310.486 0.718 20 0 DCADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000580579915 417713774 /nfs/dbraw/zinc/71/37/74/417713774.db2.gz AISHXYROSSWBOT-VQHPVUNQSA-N 1 3 313.486 0.873 20 0 DCADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000580579915 417713777 /nfs/dbraw/zinc/71/37/77/417713777.db2.gz AISHXYROSSWBOT-VQHPVUNQSA-N 1 3 313.486 0.873 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662526037 417794996 /nfs/dbraw/zinc/79/49/96/417794996.db2.gz OYOUAOQRHQRTMG-KRWDZBQOSA-N 1 3 316.449 0.975 20 0 DCADHO O=C(N1CC[C@@H](N2CC[C@@H](O)C2)C1)C12CCC[NH+](CCC1)C2 ZINC000635928549 417802659 /nfs/dbraw/zinc/80/26/59/417802659.db2.gz ITRXKQKHFOFVJI-HUUCEWRRSA-N 1 3 307.438 0.530 20 0 DCADHO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662686252 417852187 /nfs/dbraw/zinc/85/21/87/417852187.db2.gz LCQOXBIXDQVXEJ-CABCVRRESA-N 1 3 305.378 0.665 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000662703797 417860456 /nfs/dbraw/zinc/86/04/56/417860456.db2.gz NNLSQIDLUKPCPJ-CYBMUJFWSA-N 1 3 320.441 0.725 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662713462 417868325 /nfs/dbraw/zinc/86/83/25/417868325.db2.gz WOSVDXNJUKRRMT-KBPBESRZSA-N 1 3 320.441 0.759 20 0 DCADHO NCc1cccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000646579243 417872496 /nfs/dbraw/zinc/87/24/96/417872496.db2.gz CXIXYXWRUBWWHK-ZDUSSCGKSA-N 1 3 300.366 0.741 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274325 417876675 /nfs/dbraw/zinc/87/66/75/417876675.db2.gz KQUDGCHMIWGWJO-HNNXBMFYSA-N 1 3 310.373 0.150 20 0 DCADHO CN(C)C1(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000662739212 417878720 /nfs/dbraw/zinc/87/87/20/417878720.db2.gz DHPSPUBUVFOHFA-JKSUJKDBSA-N 1 3 317.433 0.566 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]1(C)CCN(C)C1=O ZINC000636161712 417888667 /nfs/dbraw/zinc/88/86/67/417888667.db2.gz OKULBKLBWOZKNX-BBRMVZONSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]1(C)CCN(C)C1=O ZINC000636161712 417888671 /nfs/dbraw/zinc/88/86/71/417888671.db2.gz OKULBKLBWOZKNX-BBRMVZONSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)C1 ZINC000662757318 417891664 /nfs/dbraw/zinc/89/16/64/417891664.db2.gz LFPATGXGXUEWOT-GJZGRUSLSA-N 1 3 308.470 0.613 20 0 DCADHO [NH3+][C@H]1C[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000662754908 417893602 /nfs/dbraw/zinc/89/36/02/417893602.db2.gz BOLRHBZJYQQNBH-SHTZXODSSA-N 1 3 317.437 0.447 20 0 DCADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662779811 417901390 /nfs/dbraw/zinc/90/13/90/417901390.db2.gz OPLZFDQVVVGMKK-SRVKXCTJSA-N 1 3 310.377 0.023 20 0 DCADHO CN(C)C[C@H]1CCCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662788790 417905641 /nfs/dbraw/zinc/90/56/41/417905641.db2.gz OUWJPXAJKGMDAE-ZIAGYGMSSA-N 1 3 320.441 0.759 20 0 DCADHO CN(C)C[C@H]1CCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662788789 417905837 /nfs/dbraw/zinc/90/58/37/417905837.db2.gz OUWJPXAJKGMDAE-UONOGXRCSA-N 1 3 320.441 0.759 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)CC(F)F)CC2)C1 ZINC000646003067 417845136 /nfs/dbraw/zinc/84/51/36/417845136.db2.gz PSVMMIUSELMTIF-NEPJUHHUSA-N 1 3 304.385 0.207 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)CC(F)F)CC2)C1 ZINC000646003067 417845140 /nfs/dbraw/zinc/84/51/40/417845140.db2.gz PSVMMIUSELMTIF-NEPJUHHUSA-N 1 3 304.385 0.207 20 0 DCADHO CC(C)(N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015083 417977293 /nfs/dbraw/zinc/97/72/93/417977293.db2.gz QLICHNUHHFGLMH-LBPRGKRZSA-N 1 3 320.441 0.263 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)nn1 ZINC000662835084 417921666 /nfs/dbraw/zinc/92/16/66/417921666.db2.gz KYDJEGKDDFSKLH-OCCSQVGLSA-N 1 3 306.414 0.374 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859493 417926831 /nfs/dbraw/zinc/92/68/31/417926831.db2.gz NKTIBUMTOKGPLQ-JKSUJKDBSA-N 1 3 305.422 0.853 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859493 417926836 /nfs/dbraw/zinc/92/68/36/417926836.db2.gz NKTIBUMTOKGPLQ-JKSUJKDBSA-N 1 3 305.422 0.853 20 0 DCADHO CC(C)(C[NH3+])C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662859137 417927060 /nfs/dbraw/zinc/92/70/60/417927060.db2.gz KHDRVIQBQDSFQE-HNNXBMFYSA-N 1 3 305.422 0.854 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)c1conc1C(C)(C)N ZINC000662857057 417927112 /nfs/dbraw/zinc/92/71/12/417927112.db2.gz CHJNHXWDPBEBBL-UHFFFAOYSA-N 1 3 311.430 0.482 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000662858218 417928475 /nfs/dbraw/zinc/92/84/75/417928475.db2.gz FIQSMOGEHKBSKB-CVEARBPZSA-N 1 3 303.406 0.621 20 0 DCADHO C[C@@H]([NH3+])CCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662859432 417928832 /nfs/dbraw/zinc/92/88/32/417928832.db2.gz MMLJVNSBFWINTI-CZUORRHYSA-N 1 3 305.422 0.997 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860491 417930030 /nfs/dbraw/zinc/93/00/30/417930030.db2.gz SCBWQHCGAZYOFF-XJKSGUPXSA-N 1 3 305.422 0.725 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000652612245 417931994 /nfs/dbraw/zinc/93/19/94/417931994.db2.gz MOSABFWLAZTBQQ-TZMCWYRMSA-N 1 3 306.414 0.660 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000652695088 417946355 /nfs/dbraw/zinc/94/63/55/417946355.db2.gz MXEZZQJJKHWYFV-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652699010 417947521 /nfs/dbraw/zinc/94/75/21/417947521.db2.gz OEQDUOTWGUFWLI-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662909310 417948094 /nfs/dbraw/zinc/94/80/94/417948094.db2.gz CQZOMGTXZAJPRB-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000652706255 417950792 /nfs/dbraw/zinc/95/07/92/417950792.db2.gz YZBDMVDPJRARQG-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000652706255 417950797 /nfs/dbraw/zinc/95/07/97/417950797.db2.gz YZBDMVDPJRARQG-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N(C)CCN(C)C ZINC000652719673 417955426 /nfs/dbraw/zinc/95/54/26/417955426.db2.gz IUVMQUVCXPODGV-UHFFFAOYSA-N 1 3 306.410 0.042 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732855 417959337 /nfs/dbraw/zinc/95/93/37/417959337.db2.gz UOXYRTKOXBLWKN-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000652733345 417959488 /nfs/dbraw/zinc/95/94/88/417959488.db2.gz DYXWVAJYQWTGQR-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000652737846 417962581 /nfs/dbraw/zinc/96/25/81/417962581.db2.gz WSKIQFXYSPMKBH-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658626206 418001533 /nfs/dbraw/zinc/00/15/33/418001533.db2.gz MLHRBJNPSATGIU-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658626206 418001535 /nfs/dbraw/zinc/00/15/35/418001535.db2.gz MLHRBJNPSATGIU-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCC(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000663447227 418020886 /nfs/dbraw/zinc/02/08/86/418020886.db2.gz SNZNWSAZILNXSC-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106769 418026436 /nfs/dbraw/zinc/02/64/36/418026436.db2.gz MVPTYTXWCSKNKO-RDJZCZTQSA-N 1 3 303.406 0.600 20 0 DCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653121805 418032311 /nfs/dbraw/zinc/03/23/11/418032311.db2.gz BYIPCPMCZQXPFZ-SJORKVTESA-N 1 3 318.465 0.998 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653125366 418033532 /nfs/dbraw/zinc/03/35/32/418033532.db2.gz WVNYNUUNDXJYEH-BBWFWOEESA-N 1 3 320.481 0.755 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653125148 418033762 /nfs/dbraw/zinc/03/37/62/418033762.db2.gz UGUUIEJWRUMCOF-CVEARBPZSA-N 1 3 308.470 0.661 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653124823 418034153 /nfs/dbraw/zinc/03/41/53/418034153.db2.gz IICAHJORCVLEEA-HZPDHXFCSA-N 1 3 308.470 0.661 20 0 DCADHO CC(C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)S(=O)(=O)C1CCOCC1 ZINC000658970388 418041473 /nfs/dbraw/zinc/04/14/73/418041473.db2.gz GSQKJRQIXWFXHK-MDZLAQPJSA-N 1 3 318.439 0.164 20 0 DCADHO CC(C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)S(=O)(=O)C1CCOCC1 ZINC000658970389 418041869 /nfs/dbraw/zinc/04/18/69/418041869.db2.gz GSQKJRQIXWFXHK-WZRBSPASSA-N 1 3 318.439 0.164 20 0 DCADHO [NH3+]C[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)C(F)(F)F ZINC000659024366 418046328 /nfs/dbraw/zinc/04/63/28/418046328.db2.gz BHEMSCVDYLLQBK-WDEREUQCSA-N 1 3 324.347 0.429 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659539705 418114421 /nfs/dbraw/zinc/11/44/21/418114421.db2.gz QUNROGXYBWMKHG-YUELXQCFSA-N 1 3 310.442 0.537 20 0 DCADHO CC1(OCC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CNC1 ZINC000648177538 418114787 /nfs/dbraw/zinc/11/47/87/418114787.db2.gz GENSMBIMJDQAQU-UKRRQHHQSA-N 1 3 311.426 0.110 20 0 DCADHO CCCN1CC[C@H](NC(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000659542126 418115014 /nfs/dbraw/zinc/11/50/14/418115014.db2.gz VEVAHESXDUVZPI-AWEZNQCLSA-N 1 3 312.458 0.786 20 0 DCADHO [NH3+]C/C=C\CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659544791 418116173 /nfs/dbraw/zinc/11/61/73/418116173.db2.gz XGVCPZZMOIIMKB-STOZHHMFSA-N 1 3 318.421 0.567 20 0 DCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659551313 418116304 /nfs/dbraw/zinc/11/63/04/418116304.db2.gz AIJDBHRQLLTUEP-BPLDGKMQSA-N 1 3 310.442 0.666 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)[N@H+](C)C1CC1 ZINC000653389592 418067295 /nfs/dbraw/zinc/06/72/95/418067295.db2.gz FXZCZKJTDZPMDQ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)[N@@H+](C)C1CC1 ZINC000653389592 418067299 /nfs/dbraw/zinc/06/72/99/418067299.db2.gz FXZCZKJTDZPMDQ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)NCCN(C)CCOC)[C@H]1CC[N@H+](CC)C1 ZINC000663937142 418068851 /nfs/dbraw/zinc/06/88/51/418068851.db2.gz DJMKGWOHIGCMAT-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CCN(C(=O)NCCN(C)CCOC)[C@H]1CC[N@@H+](CC)C1 ZINC000663937142 418068852 /nfs/dbraw/zinc/06/88/52/418068852.db2.gz DJMKGWOHIGCMAT-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CS(=O)(=O)N[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647877426 418069719 /nfs/dbraw/zinc/06/97/19/418069719.db2.gz PXBPUSVADGQMPF-AWEZNQCLSA-N 1 3 303.472 0.780 20 0 DCADHO CCN1C(=O)[C@H]2CN(CCCC3CC[NH2+]CC3)CCN2C1=O ZINC000647891522 418070718 /nfs/dbraw/zinc/07/07/18/418070718.db2.gz LJYZHIKZSUQQRN-CQSZACIVSA-N 1 3 308.426 0.735 20 0 DCADHO CCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664185363 418095398 /nfs/dbraw/zinc/09/53/98/418095398.db2.gz XGXQSFNHYLTHKJ-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664185363 418095400 /nfs/dbraw/zinc/09/54/00/418095400.db2.gz XGXQSFNHYLTHKJ-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664185354 418095449 /nfs/dbraw/zinc/09/54/49/418095449.db2.gz XGXQSFNHYLTHKJ-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664185354 418095451 /nfs/dbraw/zinc/09/54/51/418095451.db2.gz XGXQSFNHYLTHKJ-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CN1CCN(CCCCNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659457507 418100140 /nfs/dbraw/zinc/10/01/40/418100140.db2.gz GBVWTJHLFTWNDF-UHFFFAOYSA-N 1 3 311.474 0.585 20 0 DCADHO C[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)CN1CCN(C)CC1 ZINC000664222024 418100434 /nfs/dbraw/zinc/10/04/34/418100434.db2.gz SSALEMRTQZARSL-HUUCEWRRSA-N 1 3 313.490 0.509 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCOC2(CNC2)C1 ZINC000659603202 418124772 /nfs/dbraw/zinc/12/47/72/418124772.db2.gz WKNLINGCQSMZIE-CQSZACIVSA-N 1 3 322.453 0.777 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCOC2(CNC2)C1 ZINC000659603202 418124777 /nfs/dbraw/zinc/12/47/77/418124777.db2.gz WKNLINGCQSMZIE-CQSZACIVSA-N 1 3 322.453 0.777 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000659608341 418126047 /nfs/dbraw/zinc/12/60/47/418126047.db2.gz NBQAVFOXRPLTDP-FVQBIDKESA-N 1 3 322.453 0.633 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614694 418127159 /nfs/dbraw/zinc/12/71/59/418127159.db2.gz PTBCIHOIDHZPSV-CBCUQQMYSA-N 1 3 322.453 0.633 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615034 418127373 /nfs/dbraw/zinc/12/73/73/418127373.db2.gz GXXZQYDZAXQXLB-VQCLRJIVSA-N 1 3 309.458 0.064 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000659618045 418129175 /nfs/dbraw/zinc/12/91/75/418129175.db2.gz CXXVZUBCBFHIBE-ZIAGYGMSSA-N 1 3 323.445 0.457 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000659755921 418177372 /nfs/dbraw/zinc/17/73/72/418177372.db2.gz NJCXLCUOGIRMEA-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CCCNCC1 ZINC000659756528 418177680 /nfs/dbraw/zinc/17/76/80/418177680.db2.gz RMGHJCCJOPDPRS-UHFFFAOYSA-N 1 3 322.453 0.047 20 0 DCADHO CCN(C)C(=O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664707658 418146017 /nfs/dbraw/zinc/14/60/17/418146017.db2.gz GDEUYSFQPRPADB-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO CCN(C)C(=O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664707658 418146020 /nfs/dbraw/zinc/14/60/20/418146020.db2.gz GDEUYSFQPRPADB-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659685681 418146570 /nfs/dbraw/zinc/14/65/70/418146570.db2.gz TUAROCYPWZWMKS-UUCFBXCCSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659689151 418146987 /nfs/dbraw/zinc/14/69/87/418146987.db2.gz ULNAEWSITWPABI-CBCUQQMYSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659689151 418146991 /nfs/dbraw/zinc/14/69/91/418146991.db2.gz ULNAEWSITWPABI-CBCUQQMYSA-N 1 3 322.453 0.173 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654461238 418147918 /nfs/dbraw/zinc/14/79/18/418147918.db2.gz FRNJZTHPQHQIPV-OKILXGFUSA-N 1 3 300.447 0.594 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@H](CN)C1 ZINC000659705126 418154812 /nfs/dbraw/zinc/15/48/12/418154812.db2.gz UVNATYPSQIWIDU-NFAWXSAZSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@H](CN)C1 ZINC000659705126 418154815 /nfs/dbraw/zinc/15/48/15/418154815.db2.gz UVNATYPSQIWIDU-NFAWXSAZSA-N 1 3 322.453 0.173 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659707112 418155522 /nfs/dbraw/zinc/15/55/22/418155522.db2.gz ADLYSHDFQWLFQH-UIORMTCPSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664895767 418160008 /nfs/dbraw/zinc/16/00/08/418160008.db2.gz HXLLSDDUBJBDNA-KBPBESRZSA-N 1 3 301.479 0.508 20 0 DCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654566978 418161219 /nfs/dbraw/zinc/16/12/19/418161219.db2.gz WCMCHHWNFHWEEN-SOUVJXGZSA-N 1 3 312.458 0.567 20 0 DCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654566978 418161222 /nfs/dbraw/zinc/16/12/22/418161222.db2.gz WCMCHHWNFHWEEN-SOUVJXGZSA-N 1 3 312.458 0.567 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000659719113 418161485 /nfs/dbraw/zinc/16/14/85/418161485.db2.gz VAWBLYPGEYQNBC-IHRRRGAJSA-N 1 3 324.469 0.609 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659737863 418171292 /nfs/dbraw/zinc/17/12/92/418171292.db2.gz WKTYTSXVANWOBK-CYBMUJFWSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)CCCN1CCN(C)CC1 ZINC000660144927 418237261 /nfs/dbraw/zinc/23/72/61/418237261.db2.gz IMPNNPOZOUXGGW-INIZCTEOSA-N 1 3 300.491 0.257 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)CCCN1CCN(C)CC1 ZINC000660144927 418237264 /nfs/dbraw/zinc/23/72/64/418237264.db2.gz IMPNNPOZOUXGGW-INIZCTEOSA-N 1 3 300.491 0.257 20 0 DCADHO CO[C@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CCOC1 ZINC000660139261 418237278 /nfs/dbraw/zinc/23/72/78/418237278.db2.gz QNNJVUIOMUAXHC-NVXWUHKLSA-N 1 3 313.486 0.996 20 0 DCADHO CO[C@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CCOC1 ZINC000660139261 418237279 /nfs/dbraw/zinc/23/72/79/418237279.db2.gz QNNJVUIOMUAXHC-NVXWUHKLSA-N 1 3 313.486 0.996 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000649352621 418246672 /nfs/dbraw/zinc/24/66/72/418246672.db2.gz ALPXLVSWUWJCSR-NVXWUHKLSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000649372769 418248301 /nfs/dbraw/zinc/24/83/01/418248301.db2.gz GVGXLDUKIGFYNU-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000654759594 418184647 /nfs/dbraw/zinc/18/46/47/418184647.db2.gz FZIXOBQXBHOCJX-AWEZNQCLSA-N 1 3 305.426 0.659 20 0 DCADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CN1CCCC1 ZINC000655698404 418288550 /nfs/dbraw/zinc/28/85/50/418288550.db2.gz BLIRTUWEKNMPTN-IAGOWNOFSA-N 1 3 311.470 0.676 20 0 DCADHO C[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)CN1CCN(C)CC1 ZINC000655708108 418289305 /nfs/dbraw/zinc/28/93/05/418289305.db2.gz DJZLILRSJCYGMM-SJLPKXTDSA-N 1 3 324.513 0.713 20 0 DCADHO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N1CCCCCC1 ZINC000650304955 418303202 /nfs/dbraw/zinc/30/32/02/418303202.db2.gz GPXMKBYOJFKXKN-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)C(F)(F)F ZINC000655929168 418303641 /nfs/dbraw/zinc/30/36/41/418303641.db2.gz XWVPWGBXEBZMGV-ZJUUUORDSA-N 1 3 312.336 0.022 20 0 DCADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000656024587 418319484 /nfs/dbraw/zinc/31/94/84/418319484.db2.gz NBMWSERIQQOBNH-QLFBSQMISA-N 1 3 322.453 0.378 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656025584 418320356 /nfs/dbraw/zinc/32/03/56/418320356.db2.gz NVNRHDRZAKYEHJ-RDBSUJKOSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000660388799 418255251 /nfs/dbraw/zinc/25/52/51/418255251.db2.gz YPGUWLYDSGIZCX-BRWVUGGUSA-N 1 3 313.486 0.921 20 0 DCADHO NC[C@H](NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)C(F)(F)F ZINC000655515180 418271832 /nfs/dbraw/zinc/27/18/32/418271832.db2.gz IRIQAZZWPCKTFJ-WCQYABFASA-N 1 3 301.312 0.924 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000650895966 418331903 /nfs/dbraw/zinc/33/19/03/418331903.db2.gz LUOGKIWNJDAEQJ-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000650895966 418331905 /nfs/dbraw/zinc/33/19/05/418331905.db2.gz LUOGKIWNJDAEQJ-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2C[C@H]3COC[C@@]3(C)C2)C1=O ZINC000656479091 418357774 /nfs/dbraw/zinc/35/77/74/418357774.db2.gz WQPHTZUMANQTMG-HEHGZKQESA-N 1 3 309.410 0.034 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662441416 418410115 /nfs/dbraw/zinc/41/01/15/418410115.db2.gz HIRRYIAVBUJYAJ-OLZOCXBDSA-N 1 3 321.425 0.327 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001649454897 1173139433 /nfs/dbraw/zinc/13/94/33/1173139433.db2.gz BDBXYBFWOCCLJB-AWEZNQCLSA-N 1 3 313.442 0.324 20 0 DCADHO CN(C)C/C=C/C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000492178318 287569252 /nfs/dbraw/zinc/56/92/52/287569252.db2.gz CSICPKMHBPHABH-IDSJHHPBSA-N 1 3 309.454 0.988 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000354652873 261251548 /nfs/dbraw/zinc/25/15/48/261251548.db2.gz DZSVMRPQNQUXDE-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N(C)C1CC1 ZINC000354660309 261252590 /nfs/dbraw/zinc/25/25/90/261252590.db2.gz LBKOOZIJVXENDW-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354692811 261260674 /nfs/dbraw/zinc/26/06/74/261260674.db2.gz NXDFGOWCXQNRTM-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000354728531 261264341 /nfs/dbraw/zinc/26/43/41/261264341.db2.gz HTJARDACAAZPDJ-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363183206 262104487 /nfs/dbraw/zinc/10/44/87/262104487.db2.gz PYYBYXSDDAUHCN-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCC(O)(C[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000397513702 262164250 /nfs/dbraw/zinc/16/42/50/262164250.db2.gz ATCHGLAHEFCULQ-UHFFFAOYSA-N 1 3 301.431 0.948 20 0 DCADHO CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)NC1CC[NH+](CC)CC1 ZINC000411529911 262173223 /nfs/dbraw/zinc/17/32/23/262173223.db2.gz IPOBSSJCFPDBRS-STQMWFEESA-N 1 3 313.442 0.764 20 0 DCADHO CC(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)N1CCN(C)CC1 ZINC000416963580 262242546 /nfs/dbraw/zinc/24/25/46/262242546.db2.gz VGYLTELNMSXSEL-GJZGRUSLSA-N 1 3 311.474 0.295 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000417017192 262243252 /nfs/dbraw/zinc/24/32/52/262243252.db2.gz OOASDOUWAYCGBL-LSDHHAIUSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)CN1 ZINC000416984128 262243417 /nfs/dbraw/zinc/24/34/17/262243417.db2.gz XNZRLFGUNTVGNO-KGLIPLIRSA-N 1 3 311.474 0.404 20 0 DCADHO COC[C@@]1(CNC(=O)N[C@@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000417025558 262243802 /nfs/dbraw/zinc/24/38/02/262243802.db2.gz MZQODGINPJINGD-HOCLYGCPSA-N 1 3 312.458 0.929 20 0 DCADHO [NH3+]CCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417019084 262243809 /nfs/dbraw/zinc/24/38/09/262243809.db2.gz LDEZRGLHBSPLSC-UHFFFAOYSA-N 1 3 319.453 0.452 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417088704 262245551 /nfs/dbraw/zinc/24/55/51/262245551.db2.gz HUOWZISHDFNIMO-UHFFFAOYSA-N 1 3 312.458 0.740 20 0 DCADHO COCCN(C)CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417096775 262245825 /nfs/dbraw/zinc/24/58/25/262245825.db2.gz WHWSVIVXURQXEN-CQSZACIVSA-N 1 3 300.447 0.644 20 0 DCADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000417219368 262247903 /nfs/dbraw/zinc/24/79/03/262247903.db2.gz IYZVWGNIISMPKE-HOCLYGCPSA-N 1 3 320.437 0.785 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2CCNC(C)(C)C2)CC1 ZINC000417443075 262252123 /nfs/dbraw/zinc/25/21/23/262252123.db2.gz WZUFOVZVYDTGSN-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417441892 262252203 /nfs/dbraw/zinc/25/22/03/262252203.db2.gz ROZGQSIVGUUBBH-UHFFFAOYSA-N 1 3 312.458 0.740 20 0 DCADHO COCCCN1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417442730 262252361 /nfs/dbraw/zinc/25/23/61/262252361.db2.gz VSGJJZBYQHMMIZ-UHFFFAOYSA-N 1 3 312.458 0.929 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000417715537 262259288 /nfs/dbraw/zinc/25/92/88/262259288.db2.gz SVGQORFJSNNLKX-LSDHHAIUSA-N 1 3 312.458 0.914 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000417748898 262260009 /nfs/dbraw/zinc/26/00/09/262260009.db2.gz IVNQNTFCJWFITB-CYBMUJFWSA-N 1 3 300.447 0.724 20 0 DCADHO C[NH2+]CCCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417743897 262260335 /nfs/dbraw/zinc/26/03/35/262260335.db2.gz XSGYAYGFKIDQNW-UHFFFAOYSA-N 1 3 304.438 0.994 20 0 DCADHO CC[NH2+]CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417739234 262260377 /nfs/dbraw/zinc/26/03/77/262260377.db2.gz PWTFCFQGPPPQAV-UHFFFAOYSA-N 1 3 304.438 0.994 20 0 DCADHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417754788 262260427 /nfs/dbraw/zinc/26/04/27/262260427.db2.gz PVORQWPANXVUTM-ZNMIVQPWSA-N 1 3 312.458 0.724 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000417811246 262262434 /nfs/dbraw/zinc/26/24/34/262262434.db2.gz ONJYMTAHCUZASK-HNNXBMFYSA-N 1 3 312.458 0.912 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000417822512 262262838 /nfs/dbraw/zinc/26/28/38/262262838.db2.gz IQDGQJNRARMQOF-OCCSQVGLSA-N 1 3 300.472 0.817 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417827604 262263144 /nfs/dbraw/zinc/26/31/44/262263144.db2.gz PSFRLNOGRWCJQQ-GRYCIOLGSA-N 1 3 322.375 0.327 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@@H](C[NH3+])C2CC2)ccn1 ZINC000417949224 262265700 /nfs/dbraw/zinc/26/57/00/262265700.db2.gz JZZQBUSYPICUIM-AWEZNQCLSA-N 1 3 321.425 0.559 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418361504 262275283 /nfs/dbraw/zinc/27/52/83/262275283.db2.gz CLTFHJYIGGQQKZ-KBPBESRZSA-N 1 3 300.447 0.234 20 0 DCADHO [NH3+]C[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000418404829 262276362 /nfs/dbraw/zinc/27/63/62/262276362.db2.gz QUMOSBJZDCIDEF-OAHLLOKOSA-N 1 3 310.442 0.478 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000418426396 262277467 /nfs/dbraw/zinc/27/74/67/262277467.db2.gz LVZVBCYRRNPSQW-UHFFFAOYSA-N 1 3 313.490 0.783 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418572257 262282370 /nfs/dbraw/zinc/28/23/70/262282370.db2.gz SOFVJAVKNLAUPY-BFHYXJOUSA-N 1 3 312.458 0.864 20 0 DCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418757780 262287838 /nfs/dbraw/zinc/28/78/38/262287838.db2.gz FBCNVQYLNHPXMF-HNNXBMFYSA-N 1 3 306.410 0.535 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000418879288 262294822 /nfs/dbraw/zinc/29/48/22/262294822.db2.gz SIXGJMLNWFEJFM-OCCSQVGLSA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000418879286 262295005 /nfs/dbraw/zinc/29/50/05/262295005.db2.gz SIXGJMLNWFEJFM-GXTWGEPZSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418969268 262300441 /nfs/dbraw/zinc/30/04/41/262300441.db2.gz VIFXMBQECUJVEB-UKRRQHHQSA-N 1 3 318.421 0.183 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419077819 262307287 /nfs/dbraw/zinc/30/72/87/262307287.db2.gz JXKNGLULBCVFDE-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419095712 262308834 /nfs/dbraw/zinc/30/88/34/262308834.db2.gz BKJAPQXZFKAEMS-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419097666 262309540 /nfs/dbraw/zinc/30/95/40/262309540.db2.gz FNANFSAGQSETHB-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419175992 262317542 /nfs/dbraw/zinc/31/75/42/262317542.db2.gz YLRLJLZMCDACPG-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419376490 262328781 /nfs/dbraw/zinc/32/87/81/262328781.db2.gz TWLHOEJHAGNZJP-LSDHHAIUSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000419405999 262330303 /nfs/dbraw/zinc/33/03/03/262330303.db2.gz IJNOMYZXJLQYEO-GJZGRUSLSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419410475 262331285 /nfs/dbraw/zinc/33/12/85/262331285.db2.gz OKMSQFDAWDKOQJ-PBHICJAKSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419410153 262331383 /nfs/dbraw/zinc/33/13/83/262331383.db2.gz AMLNQRMMJLBGLH-MCIONIFRSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419420002 262332539 /nfs/dbraw/zinc/33/25/39/262332539.db2.gz ZWZUBJYECKTQPQ-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N(C)C1CC1 ZINC000419588032 262338982 /nfs/dbraw/zinc/33/89/82/262338982.db2.gz NZSFNMDSMYDQFK-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)[N@H+](C)C1CC1 ZINC000419588466 262339043 /nfs/dbraw/zinc/33/90/43/262339043.db2.gz OGSZMKJCYUZLDN-WFASDCNBSA-N 1 3 318.421 0.402 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000419588466 262339044 /nfs/dbraw/zinc/33/90/44/262339044.db2.gz OGSZMKJCYUZLDN-WFASDCNBSA-N 1 3 318.421 0.402 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419596092 262339557 /nfs/dbraw/zinc/33/95/57/262339557.db2.gz XPGRWRPFERFKHF-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419596091 262339583 /nfs/dbraw/zinc/33/95/83/262339583.db2.gz XPGRWRPFERFKHF-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419697193 262346757 /nfs/dbraw/zinc/34/67/57/262346757.db2.gz QHZNBYOVVAZYPC-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699532 262347443 /nfs/dbraw/zinc/34/74/43/262347443.db2.gz WGFGBNYIEWVHCV-KGLIPLIRSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419927335 262353320 /nfs/dbraw/zinc/35/33/20/262353320.db2.gz CIDPVXWVQGGLOL-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000420147505 262363813 /nfs/dbraw/zinc/36/38/13/262363813.db2.gz SGKVARMIDXJZIH-CQSZACIVSA-N 1 3 312.458 0.563 20 0 DCADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)NC(=O)NCC(F)(F)F ZINC000420353814 262370404 /nfs/dbraw/zinc/37/04/04/262370404.db2.gz CCRQCTSAQYASPM-SECBINFHSA-N 1 3 324.347 0.742 20 0 DCADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)NC(=O)NCC(F)(F)F ZINC000420353814 262370405 /nfs/dbraw/zinc/37/04/05/262370405.db2.gz CCRQCTSAQYASPM-SECBINFHSA-N 1 3 324.347 0.742 20 0 DCADHO CC[C@@H](C)NC(=O)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420362343 262371288 /nfs/dbraw/zinc/37/12/88/262371288.db2.gz NZPJESMQBYLEAA-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000420397933 262373182 /nfs/dbraw/zinc/37/31/82/262373182.db2.gz GQCKKSGSOLQIFJ-VHSXEESVSA-N 1 3 324.347 0.681 20 0 DCADHO CN1CCN(C(=O)CCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000420408979 262373682 /nfs/dbraw/zinc/37/36/82/262373682.db2.gz WOXAQXJPNTWDSQ-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@H]([NH3+])Cc3ccccc32)CC1 ZINC000420404822 262374036 /nfs/dbraw/zinc/37/40/36/262374036.db2.gz OTAURKGRERVOKZ-OAHLLOKOSA-N 1 3 316.449 0.977 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421233546 262392564 /nfs/dbraw/zinc/39/25/64/262392564.db2.gz BVPPTYMDVLJHAD-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421233546 262392566 /nfs/dbraw/zinc/39/25/66/262392566.db2.gz BVPPTYMDVLJHAD-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C[NH+]1CCCC1 ZINC000422083230 262395050 /nfs/dbraw/zinc/39/50/50/262395050.db2.gz HOZDNXSIPYQMNI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CCC(C)CC1 ZINC000423362844 262440439 /nfs/dbraw/zinc/44/04/39/262440439.db2.gz TXMDAGXGUGBHDU-CQSZACIVSA-N 1 3 322.457 0.867 20 0 DCADHO C[C@@H]1C[C@@H](C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]1 ZINC000358742957 271066476 /nfs/dbraw/zinc/06/64/76/271066476.db2.gz LEXNEENVPXHKGY-OLZOCXBDSA-N 1 3 303.410 0.818 20 0 DCADHO CCN(CC)CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000360927987 271166596 /nfs/dbraw/zinc/16/65/96/271166596.db2.gz JBAAHOWCLZZOQN-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO CCN(CC)CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000360927987 271166597 /nfs/dbraw/zinc/16/65/97/271166597.db2.gz JBAAHOWCLZZOQN-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000363481630 271194413 /nfs/dbraw/zinc/19/44/13/271194413.db2.gz UDTXNFIZSGOIRJ-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)N1CCN(C2CCCC2)CC1 ZINC000418296953 271242153 /nfs/dbraw/zinc/24/21/53/271242153.db2.gz KFSIKROXSYQANM-UHFFFAOYSA-N 1 3 323.485 0.552 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418455965 271244870 /nfs/dbraw/zinc/24/48/70/271244870.db2.gz FGUJKIQLEVVWQU-UHFFFAOYSA-N 1 3 314.474 0.912 20 0 DCADHO CCC[NH2+]CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418464701 271246436 /nfs/dbraw/zinc/24/64/36/271246436.db2.gz AZDVHTSUHTZRHO-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000418722276 271251638 /nfs/dbraw/zinc/25/16/38/271251638.db2.gz MQTQISRCDKHAON-RRFJBIMHSA-N 1 3 312.458 0.650 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419025110 271265916 /nfs/dbraw/zinc/26/59/16/271265916.db2.gz LTPCURHBYOUJMM-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419030216 271267379 /nfs/dbraw/zinc/26/73/79/271267379.db2.gz SRVJIXUNAGFESL-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000419530740 271297524 /nfs/dbraw/zinc/29/75/24/271297524.db2.gz ZJPAWMYCLSXQSE-AEGPPILISA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419540366 271303596 /nfs/dbraw/zinc/30/35/96/271303596.db2.gz HJDORRVTVLYRJA-QWHCGFSZSA-N 1 3 314.474 0.569 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419578009 271309729 /nfs/dbraw/zinc/30/97/29/271309729.db2.gz DNQOBOYALFWQRD-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N(C)C1CC1 ZINC000419580921 271310672 /nfs/dbraw/zinc/31/06/72/271310672.db2.gz HYHHMPLJMAPXPC-YRGRVCCFSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419579499 271310715 /nfs/dbraw/zinc/31/07/15/271310715.db2.gz GHGJQYZXANTHLH-SGMGOOAPSA-N 1 3 310.442 0.314 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N(C)C1CC1 ZINC000419580914 271311310 /nfs/dbraw/zinc/31/13/10/271311310.db2.gz HYHHMPLJMAPXPC-BZPMIXESSA-N 1 3 310.442 0.171 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000419630688 271312290 /nfs/dbraw/zinc/31/22/90/271312290.db2.gz UITFQYYRNJYDQU-TZMCWYRMSA-N 1 3 310.442 0.387 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N1CCC[C@@H]1CN)[NH+]1CCCCC1 ZINC000419710472 271324622 /nfs/dbraw/zinc/32/46/22/271324622.db2.gz INLZUVFYKWVIMQ-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419931901 271344003 /nfs/dbraw/zinc/34/40/03/271344003.db2.gz DGTWXPCDYMMSNT-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419939821 271346942 /nfs/dbraw/zinc/34/69/42/271346942.db2.gz YQUMWFGALXXJJQ-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CN1CCN(C(=O)CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422721113 271380449 /nfs/dbraw/zinc/38/04/49/271380449.db2.gz UPBZNDBYTCGCLO-ARFHVFGLSA-N 1 3 308.470 0.661 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000422760813 271383869 /nfs/dbraw/zinc/38/38/69/271383869.db2.gz LIRFXDBIHWXXSZ-AWEZNQCLSA-N 1 3 310.442 0.032 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000459996271 272023060 /nfs/dbraw/zinc/02/30/60/272023060.db2.gz QEEFJKNCUXWWIU-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000459996271 272023063 /nfs/dbraw/zinc/02/30/63/272023063.db2.gz QEEFJKNCUXWWIU-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000489992837 272067745 /nfs/dbraw/zinc/06/77/45/272067745.db2.gz KIDZJIVQFRJEQB-LJISPDSOSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000489992837 272067747 /nfs/dbraw/zinc/06/77/47/272067747.db2.gz KIDZJIVQFRJEQB-LJISPDSOSA-N 1 3 312.458 0.566 20 0 DCADHO C=CC(=O)NCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000490601585 272077821 /nfs/dbraw/zinc/07/78/21/272077821.db2.gz MNBRXCGJKILXDD-OAHLLOKOSA-N 1 3 324.469 0.553 20 0 DCADHO C=CC(=O)NCCC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000490601585 272077824 /nfs/dbraw/zinc/07/78/24/272077824.db2.gz MNBRXCGJKILXDD-OAHLLOKOSA-N 1 3 324.469 0.553 20 0 DCADHO C[NH+](C)C/C=C\C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000492530910 272133879 /nfs/dbraw/zinc/13/38/79/272133879.db2.gz INXBMPKPYZSAJY-CTEOGUNLSA-N 1 3 317.433 0.987 20 0 DCADHO C[NH+](C)C/C=C\C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000493084828 272167676 /nfs/dbraw/zinc/16/76/76/272167676.db2.gz BMSWRRUPZLIYQJ-CTEOGUNLSA-N 1 3 317.433 0.640 20 0 DCADHO COC(=O)c1cc(C[NH2+]CCCCN2CCN(C)CC2)cn1C ZINC000515710361 287657450 /nfs/dbraw/zinc/65/74/50/287657450.db2.gz HKDGCMHVFGTAKI-UHFFFAOYSA-N 1 3 322.453 0.929 20 0 DCADHO C[C@@H]1C[C@H](CN2CCCC[C@@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000414681610 278011372 /nfs/dbraw/zinc/01/13/72/278011372.db2.gz WDCKXUDHOBCHFR-MGPQQGTHSA-N 1 3 303.472 0.778 20 0 DCADHO CC1(C)CC(NC(=O)C(=O)N2CCC[C@@H]2CN)CC(C)(C)[NH2+]1 ZINC000419728221 278189572 /nfs/dbraw/zinc/18/95/72/278189572.db2.gz XYBUCGOUPFBFAH-GFCCVEGCSA-N 1 3 310.442 0.362 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333139124 279280818 /nfs/dbraw/zinc/28/08/18/279280818.db2.gz CTNBIQKAKJZZNV-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419986097 279296641 /nfs/dbraw/zinc/29/66/41/279296641.db2.gz XEPVYIGILHSNAQ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000341756534 279356409 /nfs/dbraw/zinc/35/64/09/279356409.db2.gz DXMLXYIVWLBGKS-OAHLLOKOSA-N 1 3 317.499 0.571 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000333826761 288135143 /nfs/dbraw/zinc/13/51/43/288135143.db2.gz LSTKWHSMQYWSRZ-LZWOXQAQSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000237399826 288152255 /nfs/dbraw/zinc/15/22/55/288152255.db2.gz APSWHEJTDWLAAS-IIAWOOMASA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000261895949 280172430 /nfs/dbraw/zinc/17/24/30/280172430.db2.gz RAWIFDDFNSQMBA-VXGBXAGGSA-N 1 3 324.391 0.525 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000552500593 288276503 /nfs/dbraw/zinc/27/65/03/288276503.db2.gz FLNWCWODAGOUCT-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000332129623 288307590 /nfs/dbraw/zinc/30/75/90/288307590.db2.gz HULAERCZQRVISG-KEYYUXOJSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332593700 288307832 /nfs/dbraw/zinc/30/78/32/288307832.db2.gz GYPZJEGTGKTMLM-HZSPNIEDSA-N 1 3 308.426 0.021 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000556726028 288388032 /nfs/dbraw/zinc/38/80/32/288388032.db2.gz XQOCBMWCFHEFNU-IAGOWNOFSA-N 1 3 317.433 0.821 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000556726028 288388034 /nfs/dbraw/zinc/38/80/34/288388034.db2.gz XQOCBMWCFHEFNU-IAGOWNOFSA-N 1 3 317.433 0.821 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000560314653 288489893 /nfs/dbraw/zinc/48/98/93/288489893.db2.gz CKMOEGUINGYNLX-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COC[C@@]1(C(=O)NC[C@H]2NCCc3ccccc32)CC[NH2+]C1 ZINC000563797913 288704055 /nfs/dbraw/zinc/70/40/55/288704055.db2.gz BYXICAXJERTPMZ-NVXWUHKLSA-N 1 3 303.406 0.616 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000564062956 288723393 /nfs/dbraw/zinc/72/33/93/288723393.db2.gz GCWWXAKOEFOQIX-INIZCTEOSA-N 1 3 320.437 0.926 20 0 DCADHO COC[C@@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000564848158 288777110 /nfs/dbraw/zinc/77/71/10/288777110.db2.gz DDYVUQXBJQIFSJ-KRWDZBQOSA-N 1 3 308.422 0.740 20 0 DCADHO CC[C@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000564992511 288803947 /nfs/dbraw/zinc/80/39/47/288803947.db2.gz DOZMLHOYSZYERF-ZDUSSCGKSA-N 1 3 306.410 0.646 20 0 DCADHO COC[C@]1(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CCC[NH2+]1 ZINC000418656041 293288795 /nfs/dbraw/zinc/28/87/95/293288795.db2.gz OQJCWNQOJAABFS-IJEWVQPXSA-N 1 3 312.458 0.737 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000333769970 294610813 /nfs/dbraw/zinc/61/08/13/294610813.db2.gz BXDDIMNLPMGTDV-BTFPBAQTSA-N 1 3 308.426 0.099 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CN1C1CC1 ZINC000333157790 297275937 /nfs/dbraw/zinc/27/59/37/297275937.db2.gz FZMAEXCWPJIHNV-FMKPAKJESA-N 1 3 321.469 0.301 20 0 DCADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)N(C)C ZINC000331592275 299050272 /nfs/dbraw/zinc/05/02/72/299050272.db2.gz IXMZQAREGLGAJW-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000584277836 332181640 /nfs/dbraw/zinc/18/16/40/332181640.db2.gz LNIIZJCTQWOVRB-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000584292826 332221168 /nfs/dbraw/zinc/22/11/68/332221168.db2.gz LFAIIRIDIFRIFB-KRWDZBQOSA-N 1 3 308.470 0.472 20 0 DCADHO C[C@H](NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000583625077 335940050 /nfs/dbraw/zinc/94/00/50/335940050.db2.gz DXJMOQZHFNEXQW-RDJZCZTQSA-N 1 3 322.497 0.908 20 0 DCADHO CC(C)OCC[C@@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000583625968 336002299 /nfs/dbraw/zinc/00/22/99/336002299.db2.gz AFHYBTZQARWOFA-MRXNPFEDSA-N 1 3 301.475 0.778 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568775917 1160769611 /nfs/dbraw/zinc/76/96/11/1160769611.db2.gz QATVMBYTMPKYFD-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568775917 1160769615 /nfs/dbraw/zinc/76/96/15/1160769615.db2.gz QATVMBYTMPKYFD-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)S(C)(=O)=O ZINC000249700251 521025012 /nfs/dbraw/zinc/02/50/12/521025012.db2.gz BGSVAFQKQHWRMO-KBPBESRZSA-N 1 3 303.472 0.874 20 0 DCADHO CCN(CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)S(C)(=O)=O ZINC000249700251 521025021 /nfs/dbraw/zinc/02/50/21/521025021.db2.gz BGSVAFQKQHWRMO-KBPBESRZSA-N 1 3 303.472 0.874 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@H](C)[NH3+])CC1=O ZINC000247452173 521633358 /nfs/dbraw/zinc/63/33/58/521633358.db2.gz ZVJFBYHYJCHMEU-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000364223981 521685085 /nfs/dbraw/zinc/68/50/85/521685085.db2.gz XMKGWHXHEZPIQP-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO C[NH2+]CC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000237201432 521959074 /nfs/dbraw/zinc/95/90/74/521959074.db2.gz HYPJNNZOGSOTEK-UHFFFAOYSA-N 1 3 304.438 0.482 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3COC(=O)C3)CC2)CC1 ZINC000157134962 523767529 /nfs/dbraw/zinc/76/75/29/523767529.db2.gz AEOYTEFJAVVRTE-ZDUSSCGKSA-N 1 3 323.437 0.614 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[N@H+](C)C1CC1 ZINC000364175710 524419326 /nfs/dbraw/zinc/41/93/26/524419326.db2.gz VXYMUTSWIDQVFV-YUELXQCFSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[N@@H+](C)C1CC1 ZINC000364175710 524419332 /nfs/dbraw/zinc/41/93/32/524419332.db2.gz VXYMUTSWIDQVFV-YUELXQCFSA-N 1 3 310.442 0.632 20 0 DCADHO CN(C)CCN(C)C(=O)c1ccc(C(=O)N(C)CC[NH+](C)C)o1 ZINC000268858306 545989511 /nfs/dbraw/zinc/98/95/11/545989511.db2.gz IXZXVCDTJZFSGU-UHFFFAOYSA-N 1 3 324.425 0.547 20 0 DCADHO CN(C)CCOCCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000318835578 546030296 /nfs/dbraw/zinc/03/02/96/546030296.db2.gz YHADQCQAYWBIBX-UHFFFAOYSA-N 1 3 308.426 0.721 20 0 DCADHO C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333716615 546089797 /nfs/dbraw/zinc/08/97/97/546089797.db2.gz TXOKTLZXFKUDPT-KGLIPLIRSA-N 1 3 315.425 0.634 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339311242 546107139 /nfs/dbraw/zinc/10/71/39/546107139.db2.gz RGWQJBMACRIZNP-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)N(C)C1CC1 ZINC000342094727 546119038 /nfs/dbraw/zinc/11/90/38/546119038.db2.gz ZTIMCABROZONCM-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCN(CCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000418177616 546245679 /nfs/dbraw/zinc/24/56/79/546245679.db2.gz VUPSVPKRDSJYQL-KBPBESRZSA-N 1 3 311.474 0.582 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529298954 546287190 /nfs/dbraw/zinc/28/71/90/546287190.db2.gz JIHMXLASIGYXGY-JKSUJKDBSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](CF)C1 ZINC000665763877 546398081 /nfs/dbraw/zinc/39/80/81/546398081.db2.gz NUSIEEFRIFPZFS-KBPBESRZSA-N 1 3 318.437 0.638 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](CF)C1 ZINC000665763877 546398084 /nfs/dbraw/zinc/39/80/84/546398084.db2.gz NUSIEEFRIFPZFS-KBPBESRZSA-N 1 3 318.437 0.638 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCO[C@@H]1CC1(F)F ZINC000666211565 546438946 /nfs/dbraw/zinc/43/89/46/546438946.db2.gz TZXLRPDUNSLBHD-GFCCVEGCSA-N 1 3 322.400 0.545 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666863174 546520912 /nfs/dbraw/zinc/52/09/12/546520912.db2.gz BZQCFROLUSLLAN-AWEZNQCLSA-N 1 3 304.394 0.636 20 0 DCADHO C[C@H](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)[NH+](C)C ZINC000666979072 546539551 /nfs/dbraw/zinc/53/95/51/546539551.db2.gz LKYPXAGCRFJTFA-UKRRQHHQSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667795691 546655041 /nfs/dbraw/zinc/65/50/41/546655041.db2.gz LVNZUZBKMJTKTA-UHFFFAOYSA-N 1 3 321.425 0.769 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000668581741 546791073 /nfs/dbraw/zinc/79/10/73/546791073.db2.gz KKAZOECHJUUOJP-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000669508613 546982263 /nfs/dbraw/zinc/98/22/63/546982263.db2.gz CXPYZZMADVVCHH-AAEUAGOBSA-N 1 3 309.435 0.906 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@]2(N(C)C)CCSC2)CCO1 ZINC000669514953 546983519 /nfs/dbraw/zinc/98/35/19/546983519.db2.gz VHSGZPJOORQYSI-SCRDCRAPSA-N 1 3 316.471 0.181 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519637 546983646 /nfs/dbraw/zinc/98/36/46/546983646.db2.gz LFOBMVGDSXVGGZ-YCPHGPKFSA-N 1 3 324.469 0.324 20 0 DCADHO COC[C@]1(CNC(=O)C2(N)Cc3ccccc3C2)CCC[NH2+]1 ZINC000669518545 546984079 /nfs/dbraw/zinc/98/40/79/546984079.db2.gz VBGBPNXZMHCVJL-MRXNPFEDSA-N 1 3 303.406 0.368 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CCCCN1C1CC1 ZINC000669571212 546992752 /nfs/dbraw/zinc/99/27/52/546992752.db2.gz SLOAMUOQAZBSTJ-HNNXBMFYSA-N 1 3 309.458 0.208 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CCO1 ZINC000669571185 546992994 /nfs/dbraw/zinc/99/29/94/546992994.db2.gz KSYFRNAUSPWARS-QEJZJMRPSA-N 1 3 310.442 0.761 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCCC[NH2+]2)CCCO1 ZINC000669570976 546993170 /nfs/dbraw/zinc/99/31/70/546993170.db2.gz HCGOKBBAJQXNOG-HUUCEWRRSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000672516555 547368439 /nfs/dbraw/zinc/36/84/39/547368439.db2.gz HNOJJNUUEDVKSK-YOEHRIQHSA-N 1 3 305.422 0.690 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000673672360 547513125 /nfs/dbraw/zinc/51/31/25/547513125.db2.gz FUYJYGFSEHKZOL-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCn1cc(NC(=O)NCCOCC[NH+](C)C)cn1 ZINC000681179616 548212008 /nfs/dbraw/zinc/21/20/08/548212008.db2.gz OCNBZOCFXZRGSF-UHFFFAOYSA-N 1 3 312.418 0.144 20 0 DCADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000978950505 660636265 /nfs/dbraw/zinc/63/62/65/660636265.db2.gz NRXCOVGAANYVRI-WCXIOVBPSA-N 1 3 323.481 0.927 20 0 DCADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000978950505 660636266 /nfs/dbraw/zinc/63/62/66/660636266.db2.gz NRXCOVGAANYVRI-WCXIOVBPSA-N 1 3 323.481 0.927 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccnn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000980704169 660988016 /nfs/dbraw/zinc/98/80/16/660988016.db2.gz LOBBCQGGQYGHTI-CHWSQXEVSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000317863169 661139352 /nfs/dbraw/zinc/13/93/52/661139352.db2.gz JJUFZKPYSQZFJC-QKPAOTATSA-N 1 3 309.454 0.992 20 0 DCADHO CO[C@]1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCS(=O)(=O)C1 ZINC000925825185 661243157 /nfs/dbraw/zinc/24/31/57/661243157.db2.gz BYJSIWYKDFPWGQ-DYEKYZERSA-N 1 3 304.456 0.686 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038933821 661277194 /nfs/dbraw/zinc/27/71/94/661277194.db2.gz HSXXGXRZGSGQMF-OLZOCXBDSA-N 1 3 306.410 0.987 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038933821 661277197 /nfs/dbraw/zinc/27/71/97/661277197.db2.gz HSXXGXRZGSGQMF-OLZOCXBDSA-N 1 3 306.410 0.987 20 0 DCADHO O=C(CN1CCCC1)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000998269899 665427348 /nfs/dbraw/zinc/42/73/48/665427348.db2.gz QEXKPCQYJVHHGK-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891536004 657464531 /nfs/dbraw/zinc/46/45/31/657464531.db2.gz AAKUTXHBWQBWSL-RBSFLKMASA-N 1 3 312.458 0.914 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001023086768 657490558 /nfs/dbraw/zinc/49/05/58/657490558.db2.gz WPRIKLSKEASXDY-MCIONIFRSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023086768 657490565 /nfs/dbraw/zinc/49/05/65/657490565.db2.gz WPRIKLSKEASXDY-MCIONIFRSA-N 1 3 303.410 0.474 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891579119 657495902 /nfs/dbraw/zinc/49/59/02/657495902.db2.gz CXDRZIKKKDNNJK-NVXWUHKLSA-N 1 3 323.485 0.598 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CN1CCN(C)CC1 ZINC000891600356 657514573 /nfs/dbraw/zinc/51/45/73/657514573.db2.gz ARWLRCKVKBFZLR-YQQAZPJKSA-N 1 3 323.485 0.121 20 0 DCADHO C[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)CN1CCN(C)CC1 ZINC000891604477 657515796 /nfs/dbraw/zinc/51/57/96/657515796.db2.gz YVFNHKTWLODJET-OAGGEKHMSA-N 1 3 323.485 0.406 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023128924 657540151 /nfs/dbraw/zinc/54/01/51/657540151.db2.gz YXTTVSXZQNMRLF-QLFBSQMISA-N 1 3 320.441 0.389 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001023131082 657540861 /nfs/dbraw/zinc/54/08/61/657540861.db2.gz ULQVHPDOJJQDNB-LXTVHRRPSA-N 1 3 322.453 0.376 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970478861 657553475 /nfs/dbraw/zinc/55/34/75/657553475.db2.gz OTGPMHOWXMIZRE-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970478861 657553481 /nfs/dbraw/zinc/55/34/81/657553481.db2.gz OTGPMHOWXMIZRE-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001020463448 657700399 /nfs/dbraw/zinc/70/03/99/657700399.db2.gz CUWPCZNOOSCUQG-JOCQHMNTSA-N 1 3 320.441 0.426 20 0 DCADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC000970718865 657823701 /nfs/dbraw/zinc/82/37/01/657823701.db2.gz XKVRJCFSZGBEKS-MRXNPFEDSA-N 1 3 319.453 0.732 20 0 DCADHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC000970719625 657828922 /nfs/dbraw/zinc/82/89/22/657828922.db2.gz JUNRQSGRBGZECZ-OAHLLOKOSA-N 1 3 318.421 0.877 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020543428 657895821 /nfs/dbraw/zinc/89/58/21/657895821.db2.gz OYCDEHLPDPYWLL-SHTZXODSSA-N 1 3 317.437 0.864 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970789295 657908318 /nfs/dbraw/zinc/90/83/18/657908318.db2.gz WQKXNHHQINZYQN-OAHLLOKOSA-N 1 3 319.453 0.987 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC000970788644 657908348 /nfs/dbraw/zinc/90/83/48/657908348.db2.gz QSNNMJUFRHHYFU-GXTWGEPZSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1)C(N)=O ZINC000970788644 657908351 /nfs/dbraw/zinc/90/83/51/657908351.db2.gz QSNNMJUFRHHYFU-GXTWGEPZSA-N 1 3 318.421 0.426 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022455253 657939465 /nfs/dbraw/zinc/93/94/65/657939465.db2.gz NNMWAWAITQMYJE-OWQJAQGESA-N 1 3 319.449 0.887 20 0 DCADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CCO)CC[C@@H]21)C1CCC1 ZINC001021604331 658102440 /nfs/dbraw/zinc/10/24/40/658102440.db2.gz BVHZRHQHOZGZGP-HOCLYGCPSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CCO)CC[C@@H]21)C1CCC1 ZINC001021604331 658102443 /nfs/dbraw/zinc/10/24/43/658102443.db2.gz BVHZRHQHOZGZGP-HOCLYGCPSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CCO)CC[C@@H]21)C1CCC1 ZINC001021604332 658102830 /nfs/dbraw/zinc/10/28/30/658102830.db2.gz BVHZRHQHOZGZGP-ZBFHGGJFSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@@H]21)C1CCC1 ZINC001021604332 658102833 /nfs/dbraw/zinc/10/28/33/658102833.db2.gz BVHZRHQHOZGZGP-ZBFHGGJFSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCN(C2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000892012710 658104285 /nfs/dbraw/zinc/10/42/85/658104285.db2.gz BMKVKGZYUFBTHF-AWEZNQCLSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001020588795 658159290 /nfs/dbraw/zinc/15/92/90/658159290.db2.gz MPBUGKDHQBMYIF-IHRRRGAJSA-N 1 3 305.426 0.499 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001020591238 658171609 /nfs/dbraw/zinc/17/16/09/658171609.db2.gz IGJMXCUFRQNQLA-RBSFLKMASA-N 1 3 309.454 0.992 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020593082 658178101 /nfs/dbraw/zinc/17/81/01/658178101.db2.gz WOOMFEWGLOCDKZ-ABHRYQDASA-N 1 3 320.441 0.233 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020593082 658178104 /nfs/dbraw/zinc/17/81/04/658178104.db2.gz WOOMFEWGLOCDKZ-ABHRYQDASA-N 1 3 320.441 0.233 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892094472 658181594 /nfs/dbraw/zinc/18/15/94/658181594.db2.gz TYPCNCKORDVAGG-DAXOMENPSA-N 1 3 302.422 0.998 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2cncn2C)C1)[NH+](C)C ZINC000969845471 658200133 /nfs/dbraw/zinc/20/01/33/658200133.db2.gz DFBRFQWSGRBCPS-UKRRQHHQSA-N 1 3 307.442 0.697 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892395123 658221422 /nfs/dbraw/zinc/22/14/22/658221422.db2.gz RVRARKPPQBDEPI-CQSZACIVSA-N 1 3 314.474 0.984 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000892403945 658269111 /nfs/dbraw/zinc/26/91/11/658269111.db2.gz GMGOBBJFTSASBC-RDJZCZTQSA-N 1 3 320.437 0.312 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC000969985895 658325548 /nfs/dbraw/zinc/32/55/48/658325548.db2.gz NQRJVQOMEWWPTD-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001022713954 658362867 /nfs/dbraw/zinc/36/28/67/658362867.db2.gz NUUYMWKDFJIVPY-SOUVJXGZSA-N 1 3 319.453 0.541 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000892249443 658365195 /nfs/dbraw/zinc/36/51/95/658365195.db2.gz RKSMVEYKAGCIJR-UHFFFAOYSA-N 1 3 323.485 0.679 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001022715785 658366006 /nfs/dbraw/zinc/36/60/06/658366006.db2.gz MPBUGKDHQBMYIF-MCIONIFRSA-N 1 3 305.426 0.499 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020676265 658367952 /nfs/dbraw/zinc/36/79/52/658367952.db2.gz YPSRNOSOOBAKLO-ZQDZILKHSA-N 1 3 322.453 0.375 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)C1 ZINC001022716423 658372037 /nfs/dbraw/zinc/37/20/37/658372037.db2.gz XJQGMLUTYIUQIZ-YHUYYLMFSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@@H]1C[NH3+] ZINC000926388879 658392436 /nfs/dbraw/zinc/39/24/36/658392436.db2.gz BFVDCNXUMCOPJE-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO CN(C)CCCS(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813579 667852881 /nfs/dbraw/zinc/85/28/81/667852881.db2.gz UZNDVWRFEIARCN-VHSXEESVSA-N 1 3 317.377 0.337 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H]1CCCCN1CCO ZINC000892458760 658571110 /nfs/dbraw/zinc/57/11/10/658571110.db2.gz JNHUDBVHGALBSF-BBBYJDLNSA-N 1 3 310.442 0.499 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1)N(C)C ZINC000972355802 658611549 /nfs/dbraw/zinc/61/15/49/658611549.db2.gz ZXYGHSYHIKBAAV-HOTGVXAUSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1)N(C)C ZINC000972355802 658611551 /nfs/dbraw/zinc/61/15/51/658611551.db2.gz ZXYGHSYHIKBAAV-HOTGVXAUSA-N 1 3 321.469 0.836 20 0 DCADHO [NH3+]CCCOCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892290881 658635951 /nfs/dbraw/zinc/63/59/51/658635951.db2.gz JTNCZSDTHNAECZ-OAHLLOKOSA-N 1 3 306.410 0.366 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1)C1CC1 ZINC001039134356 658658070 /nfs/dbraw/zinc/65/80/70/658658070.db2.gz PUDUQYVNVUESNM-IAGOWNOFSA-N 1 3 323.481 0.879 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1)C1CC1 ZINC001039134356 658658075 /nfs/dbraw/zinc/65/80/75/658658075.db2.gz PUDUQYVNVUESNM-IAGOWNOFSA-N 1 3 323.481 0.879 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001024561680 658717709 /nfs/dbraw/zinc/71/77/09/658717709.db2.gz VHAVRBNWOIIXSL-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001024561680 658717711 /nfs/dbraw/zinc/71/77/11/658717711.db2.gz VHAVRBNWOIIXSL-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891440269 658769088 /nfs/dbraw/zinc/76/90/88/658769088.db2.gz VZURTXUSKLWYPJ-GOEBONIOSA-N 1 3 310.442 0.681 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022104059 658864762 /nfs/dbraw/zinc/86/47/62/658864762.db2.gz SBHYRQJWTPBMIJ-FVCCEPFGSA-N 1 3 323.466 0.924 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022104059 658864768 /nfs/dbraw/zinc/86/47/68/658864768.db2.gz SBHYRQJWTPBMIJ-FVCCEPFGSA-N 1 3 323.466 0.924 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC000970337332 658869171 /nfs/dbraw/zinc/86/91/71/658869171.db2.gz NVVQJJGPROMHBP-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001022975011 658881404 /nfs/dbraw/zinc/88/14/04/658881404.db2.gz GDODJYWGPJRJTG-SOUVJXGZSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001022975011 658881412 /nfs/dbraw/zinc/88/14/12/658881412.db2.gz GDODJYWGPJRJTG-SOUVJXGZSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001022981147 658890851 /nfs/dbraw/zinc/89/08/51/658890851.db2.gz ATYBIHPMWJIIKD-OKILXGFUSA-N 1 3 315.421 0.618 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891493324 658892345 /nfs/dbraw/zinc/89/23/45/658892345.db2.gz PUFSFXOBCNMEGG-LLVKDONJSA-N 1 3 308.373 0.109 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001039165856 658900592 /nfs/dbraw/zinc/90/05/92/658900592.db2.gz TXIZMHHUQRCEIN-NVXWUHKLSA-N 1 3 323.481 0.881 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001039165856 658900598 /nfs/dbraw/zinc/90/05/98/658900598.db2.gz TXIZMHHUQRCEIN-NVXWUHKLSA-N 1 3 323.481 0.881 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000999363919 665637037 /nfs/dbraw/zinc/63/70/37/665637037.db2.gz KYJOTQFJYJEMBU-GXTWGEPZSA-N 1 3 310.442 0.315 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170806 659048016 /nfs/dbraw/zinc/04/80/16/659048016.db2.gz PLJKWXSZQWUQCW-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170806 659048023 /nfs/dbraw/zinc/04/80/23/659048023.db2.gz PLJKWXSZQWUQCW-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027215903 659086988 /nfs/dbraw/zinc/08/69/88/659086988.db2.gz OIIOIVOOSWWEGT-KBPBESRZSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027215903 659086993 /nfs/dbraw/zinc/08/69/93/659086993.db2.gz OIIOIVOOSWWEGT-KBPBESRZSA-N 1 3 305.426 0.310 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999405740 665641742 /nfs/dbraw/zinc/64/17/42/665641742.db2.gz GYOSDNBXGPDJJK-IYXRBSQSSA-N 1 3 320.441 0.378 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999405740 665641744 /nfs/dbraw/zinc/64/17/44/665641744.db2.gz GYOSDNBXGPDJJK-IYXRBSQSSA-N 1 3 320.441 0.378 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217034 659090028 /nfs/dbraw/zinc/09/00/28/659090028.db2.gz FCYIBAQOSVPUAA-HNNXBMFYSA-N 1 3 319.453 0.762 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999407323 665642302 /nfs/dbraw/zinc/64/23/02/665642302.db2.gz UFGHJYRGFZKTCV-FHERZECASA-N 1 3 319.453 0.946 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)C1 ZINC000973104816 659104423 /nfs/dbraw/zinc/10/44/23/659104423.db2.gz RAABXSWZSOFPMW-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)C1 ZINC000973104816 659104425 /nfs/dbraw/zinc/10/44/25/659104425.db2.gz RAABXSWZSOFPMW-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000974145591 659227966 /nfs/dbraw/zinc/22/79/66/659227966.db2.gz CJKBOELOUIABGI-LJISPDSOSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974145591 659227968 /nfs/dbraw/zinc/22/79/68/659227968.db2.gz CJKBOELOUIABGI-LJISPDSOSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000973291804 659228327 /nfs/dbraw/zinc/22/83/27/659228327.db2.gz CJKBOELOUIABGI-LXTVHRRPSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000973291804 659228331 /nfs/dbraw/zinc/22/83/31/659228331.db2.gz CJKBOELOUIABGI-LXTVHRRPSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892791087 659456105 /nfs/dbraw/zinc/45/61/05/659456105.db2.gz KCYFMIYEICHFIE-MRXNPFEDSA-N 1 3 320.437 0.578 20 0 DCADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892819826 659471954 /nfs/dbraw/zinc/47/19/54/659471954.db2.gz SKXXKFYQLDQAHH-FXUDXRNXSA-N 1 3 322.453 0.728 20 0 DCADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892819826 659471959 /nfs/dbraw/zinc/47/19/59/659471959.db2.gz SKXXKFYQLDQAHH-FXUDXRNXSA-N 1 3 322.453 0.728 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026733181 659489738 /nfs/dbraw/zinc/48/97/38/659489738.db2.gz ITOJELMNGKEOCP-GOEBONIOSA-N 1 3 319.453 0.761 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000974650942 659609249 /nfs/dbraw/zinc/60/92/49/659609249.db2.gz KWJSTPKBWNOMDN-HUUCEWRRSA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000974650942 659609255 /nfs/dbraw/zinc/60/92/55/659609255.db2.gz KWJSTPKBWNOMDN-HUUCEWRRSA-N 1 3 311.470 0.783 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1)C1CC1 ZINC001026887881 659627671 /nfs/dbraw/zinc/62/76/71/659627671.db2.gz WZSCELHUYIZSHG-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1)C1CC1 ZINC001026888202 659627675 /nfs/dbraw/zinc/62/76/75/659627675.db2.gz AFYARWCMBSANKQ-BXUZGUMPSA-N 1 3 323.466 0.816 20 0 DCADHO Cn1cnnc1CNC[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001026887160 659627721 /nfs/dbraw/zinc/62/77/21/659627721.db2.gz LXWZVXZAFLABLQ-IUODEOHRSA-N 1 3 320.441 0.093 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999845910 665690805 /nfs/dbraw/zinc/69/08/05/665690805.db2.gz AHXZTCOPRJQOEU-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999845910 665690808 /nfs/dbraw/zinc/69/08/08/665690808.db2.gz AHXZTCOPRJQOEU-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001026963975 659679684 /nfs/dbraw/zinc/67/96/84/659679684.db2.gz AKOILPHWEIZRHR-BOLLXYOYSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CN(CCCO)CC2(C)C)CC[N@@H+]1C ZINC000974959295 659750339 /nfs/dbraw/zinc/75/03/39/659750339.db2.gz VZIDEFRBRKVGKV-KKUMJFAQSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CN(CCCO)CC2(C)C)CC[N@H+]1C ZINC000974959295 659750342 /nfs/dbraw/zinc/75/03/42/659750342.db2.gz VZIDEFRBRKVGKV-KKUMJFAQSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001027069235 659756370 /nfs/dbraw/zinc/75/63/70/659756370.db2.gz NOYXFUQEBVHVPC-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCCCN3C)C2)C1 ZINC000999877701 665705860 /nfs/dbraw/zinc/70/58/60/665705860.db2.gz PMWORBPTOJILGF-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCCCN3C)C2)C1 ZINC000999877701 665705862 /nfs/dbraw/zinc/70/58/62/665705862.db2.gz PMWORBPTOJILGF-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295896 661343100 /nfs/dbraw/zinc/34/31/00/661343100.db2.gz FPSQOBVMHONXGS-QXRTWZOPSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295896 661343101 /nfs/dbraw/zinc/34/31/01/661343101.db2.gz FPSQOBVMHONXGS-QXRTWZOPSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001000187950 665768188 /nfs/dbraw/zinc/76/81/88/665768188.db2.gz YSFFMEWRYBQYMF-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001000189119 665768615 /nfs/dbraw/zinc/76/86/15/665768615.db2.gz CPJNOJUKAKKTLQ-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CN2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000924973915 661821575 /nfs/dbraw/zinc/82/15/75/661821575.db2.gz YWPVENCAEANVTH-HZSPNIEDSA-N 1 3 308.426 0.733 20 0 DCADHO CN1CC[C@H]1CNC(=O)C(C)(C)CCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928561431 662128215 /nfs/dbraw/zinc/12/82/15/662128215.db2.gz BDSAIQJHZDCYAW-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@H]1CNC(=O)C(C)(C)CCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928561431 662128216 /nfs/dbraw/zinc/12/82/16/662128216.db2.gz BDSAIQJHZDCYAW-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNCc3nccn3C)C2)C1 ZINC000984806047 662316397 /nfs/dbraw/zinc/31/63/97/662316397.db2.gz WNVNMECVVXCPPY-KKUMJFAQSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNCc3nccn3C)C2)C1 ZINC000984806047 662316400 /nfs/dbraw/zinc/31/64/00/662316400.db2.gz WNVNMECVVXCPPY-KKUMJFAQSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cncn3C)C2)C1 ZINC000984804584 662316621 /nfs/dbraw/zinc/31/66/21/662316621.db2.gz PJQFQNYISGLGEW-RBSFLKMASA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCOC3)C2)C1 ZINC000984802507 662317998 /nfs/dbraw/zinc/31/79/98/662317998.db2.gz BFWFFDMPTHXXIL-QKPAOTATSA-N 1 3 309.454 0.849 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000985025963 662356862 /nfs/dbraw/zinc/35/68/62/662356862.db2.gz DKBOBYCRVIBGDL-RBSFLKMASA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000985025963 662356863 /nfs/dbraw/zinc/35/68/63/662356863.db2.gz DKBOBYCRVIBGDL-RBSFLKMASA-N 1 3 319.453 0.746 20 0 DCADHO Cc1oncc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000985120813 662370291 /nfs/dbraw/zinc/37/02/91/662370291.db2.gz YYIOJXDGKBOYRK-UMVBOHGHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000985120813 662370292 /nfs/dbraw/zinc/37/02/92/662370292.db2.gz YYIOJXDGKBOYRK-UMVBOHGHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC000985120865 662370441 /nfs/dbraw/zinc/37/04/41/662370441.db2.gz ZJAFUNVEQDTEQT-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC000985120865 662370444 /nfs/dbraw/zinc/37/04/44/662370444.db2.gz ZJAFUNVEQDTEQT-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000985122829 662371275 /nfs/dbraw/zinc/37/12/75/662371275.db2.gz FRVYULFNXOZHCG-MGPQQGTHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000985122829 662371278 /nfs/dbraw/zinc/37/12/78/662371278.db2.gz FRVYULFNXOZHCG-MGPQQGTHSA-N 1 3 306.410 0.919 20 0 DCADHO CN(CC(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1)C1CCC1 ZINC000985468666 662463353 /nfs/dbraw/zinc/46/33/53/662463353.db2.gz YORIGUFPSPGGDP-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1)C1CCC1 ZINC000985468666 662463355 /nfs/dbraw/zinc/46/33/55/662463355.db2.gz YORIGUFPSPGGDP-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]([NH2+]C[C@H](O)CN(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000305147292 662468740 /nfs/dbraw/zinc/46/87/40/662468740.db2.gz SEHJPAXGOIDDCJ-RYQLBKOJSA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000305147292 662468741 /nfs/dbraw/zinc/46/87/41/662468741.db2.gz SEHJPAXGOIDDCJ-RYQLBKOJSA-N 1 3 321.465 0.788 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568954 662482683 /nfs/dbraw/zinc/48/26/83/662482683.db2.gz RYZLAPPHRSDRQB-ZDUSSCGKSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1)N(C)C ZINC000985656070 662497153 /nfs/dbraw/zinc/49/71/53/662497153.db2.gz KYQGGLYIFYHYKB-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1)N(C)C ZINC000985656070 662497154 /nfs/dbraw/zinc/49/71/54/662497154.db2.gz KYQGGLYIFYHYKB-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985803082 662515350 /nfs/dbraw/zinc/51/53/50/662515350.db2.gz APTZJACQECRXBE-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985803082 662515351 /nfs/dbraw/zinc/51/53/51/662515351.db2.gz APTZJACQECRXBE-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO CN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904589 662554278 /nfs/dbraw/zinc/55/42/78/662554278.db2.gz YSVMWBYZXSBXIS-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904589 662554280 /nfs/dbraw/zinc/55/42/80/662554280.db2.gz YSVMWBYZXSBXIS-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1[C@H](NCc2cnnn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986827256 662622379 /nfs/dbraw/zinc/62/23/79/662622379.db2.gz OOHMYPSABQPPND-IUODEOHRSA-N 1 3 320.441 0.236 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)CC1 ZINC000987289485 662664764 /nfs/dbraw/zinc/66/47/64/662664764.db2.gz DOEPPVZIRTWICE-JSGCOSHPSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987352620 662671337 /nfs/dbraw/zinc/67/13/37/662671337.db2.gz ALEGLTWSZNIGTQ-UKRRQHHQSA-N 1 3 317.437 0.595 20 0 DCADHO COCCN(CCN(C)C)C(=S)NCC(C)(C)C[NH+](C)C ZINC000729644050 662906216 /nfs/dbraw/zinc/90/62/16/662906216.db2.gz GPLOAQLLZJCLRK-UHFFFAOYSA-N 1 3 318.531 0.959 20 0 DCADHO O=C1CN(CCCCCC[N@@H+]2CCCNC(=O)C2)CCCN1 ZINC000729814427 662910708 /nfs/dbraw/zinc/91/07/08/662910708.db2.gz QEXNRDQUAAENNU-UHFFFAOYSA-N 1 3 310.442 0.191 20 0 DCADHO O=C1CN(CCCCCC[N@H+]2CCCNC(=O)C2)CCCN1 ZINC000729814427 662910709 /nfs/dbraw/zinc/91/07/09/662910709.db2.gz QEXNRDQUAAENNU-UHFFFAOYSA-N 1 3 310.442 0.191 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(CC2CC[NH+](CC3CC3)CC2)C1=O ZINC000925315934 662916954 /nfs/dbraw/zinc/91/69/54/662916954.db2.gz GDOHFZXFSXQBIM-CQSZACIVSA-N 1 3 308.426 0.590 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989801238 662978407 /nfs/dbraw/zinc/97/84/07/662978407.db2.gz ZSFBWVWNYNFTAL-BBRMVZONSA-N 1 3 319.453 0.903 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000938193163 663153202 /nfs/dbraw/zinc/15/32/02/663153202.db2.gz MIKUBBZKXZFTFX-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO COCC[NH+]1CCC(NC(=O)c2ccnn2CCN(C)C)CC1 ZINC000900382499 663239410 /nfs/dbraw/zinc/23/94/10/663239410.db2.gz DWLAOELUQYPKDQ-UHFFFAOYSA-N 1 3 323.441 0.285 20 0 DCADHO CN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000903291001 663452558 /nfs/dbraw/zinc/45/25/58/663452558.db2.gz LOGHMDDQTRLWIT-KKUMJFAQSA-N 1 3 315.483 0.874 20 0 DCADHO CCCCNC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492047 663458276 /nfs/dbraw/zinc/45/82/76/663458276.db2.gz ISCFSRYJXJAJRY-JFILPPLUSA-N 1 3 311.426 0.504 20 0 DCADHO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCNCCC12CCOCC2 ZINC000903820119 663487257 /nfs/dbraw/zinc/48/72/57/663487257.db2.gz URLSTQUGRJFMGD-HUUCEWRRSA-N 1 3 316.442 0.243 20 0 DCADHO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCNCCC12CCOCC2 ZINC000903820119 663487258 /nfs/dbraw/zinc/48/72/58/663487258.db2.gz URLSTQUGRJFMGD-HUUCEWRRSA-N 1 3 316.442 0.243 20 0 DCADHO CNC(=O)[C@@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892396 663490443 /nfs/dbraw/zinc/49/04/43/663490443.db2.gz ILLWAWKCASUKHE-ZIAGYGMSSA-N 1 3 307.442 0.304 20 0 DCADHO CC(C)[C@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1C ZINC000903937674 663497585 /nfs/dbraw/zinc/49/75/85/663497585.db2.gz PKHCIHLIAQSFKZ-GOEBONIOSA-N 1 3 306.458 0.975 20 0 DCADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000904304989 663507621 /nfs/dbraw/zinc/50/76/21/663507621.db2.gz AHZGJVZNIXKGET-GASCZTMLSA-N 1 3 302.422 0.980 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000904459626 663514996 /nfs/dbraw/zinc/51/49/96/663514996.db2.gz WVPHWTPZMHKUCZ-XGWLTEMNSA-N 1 3 302.422 0.398 20 0 DCADHO CC(C)CN1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905067439 663530170 /nfs/dbraw/zinc/53/01/70/663530170.db2.gz XVSKBWKKBFQMBF-HOTGVXAUSA-N 1 3 300.443 0.599 20 0 DCADHO O[C@H](CNCC1([NH+]2CCCC2)CCOCC1)C1(O)CCCC1 ZINC000905097197 663533302 /nfs/dbraw/zinc/53/33/02/663533302.db2.gz ZKHCFJMSOQYREL-OAHLLOKOSA-N 1 3 312.454 0.887 20 0 DCADHO CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000941345592 665978139 /nfs/dbraw/zinc/97/81/39/665978139.db2.gz YFIRLUVRGWUKAV-WBVHZDCISA-N 1 3 322.497 0.955 20 0 DCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N(C)C ZINC000906648311 663626977 /nfs/dbraw/zinc/62/69/77/663626977.db2.gz JGTYXKKGCPZKHI-LLVKDONJSA-N 1 3 306.410 0.885 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906656386 663627394 /nfs/dbraw/zinc/62/73/94/663627394.db2.gz GHLQFCUDMIEDJR-ABAIWWIYSA-N 1 3 316.405 0.683 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001079644 665988894 /nfs/dbraw/zinc/98/88/94/665988894.db2.gz IRZNPHKFUIJRRO-MRXNPFEDSA-N 1 3 309.454 0.849 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001079644 665988896 /nfs/dbraw/zinc/98/88/96/665988896.db2.gz IRZNPHKFUIJRRO-MRXNPFEDSA-N 1 3 309.454 0.849 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CCCCC1 ZINC000910961411 663959401 /nfs/dbraw/zinc/95/94/01/663959401.db2.gz ZVHAOVIEKNODKY-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911054564 663973009 /nfs/dbraw/zinc/97/30/09/663973009.db2.gz IJABUJLXGLGAGW-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911163817 663996475 /nfs/dbraw/zinc/99/64/75/663996475.db2.gz ZKOPNZFXCDAIRP-ZNMIVQPWSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N[C@H](C)CN1CCCCC1)C(C)C ZINC000911163346 663996517 /nfs/dbraw/zinc/99/65/17/663996517.db2.gz WNNLZVDNXMHHQN-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911209058 664005648 /nfs/dbraw/zinc/00/56/48/664005648.db2.gz LPPVJYFBTZDDOC-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@@H]1[NH3+] ZINC000911324363 664027915 /nfs/dbraw/zinc/02/79/15/664027915.db2.gz BESSYWRLQKUIFF-RDBSUJKOSA-N 1 3 322.453 0.315 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@H]1[NH3+] ZINC000911535014 664071092 /nfs/dbraw/zinc/07/10/92/664071092.db2.gz XVHHPWAURSVTHU-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NCC[NH2+]C3CC3)ccc2NC1=O ZINC000911751692 664105909 /nfs/dbraw/zinc/10/59/09/664105909.db2.gz BNIJJMNYXTZJJF-CYBMUJFWSA-N 1 3 302.378 0.380 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC000911774344 664107158 /nfs/dbraw/zinc/10/71/58/664107158.db2.gz KBPZVPPEDYSRKI-SMDDNHRTSA-N 1 3 316.405 0.580 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC000911869397 664116034 /nfs/dbraw/zinc/11/60/34/664116034.db2.gz WDSVWNBSFXQNQH-KBPBESRZSA-N 1 3 316.405 0.723 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912464807 664176009 /nfs/dbraw/zinc/17/60/09/664176009.db2.gz ZWFBAXDLEJMATL-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912464807 664176010 /nfs/dbraw/zinc/17/60/10/664176010.db2.gz ZWFBAXDLEJMATL-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000913759577 664720125 /nfs/dbraw/zinc/72/01/25/664720125.db2.gz QEDYQPSXQWYMEJ-ZIAGYGMSSA-N 1 3 305.426 0.611 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000913759577 664720126 /nfs/dbraw/zinc/72/01/26/664720126.db2.gz QEDYQPSXQWYMEJ-ZIAGYGMSSA-N 1 3 305.426 0.611 20 0 DCADHO C[C@@H](CCNS(=O)(=O)C[C@@]12CCN(C1)CCC2)[NH+](C)C ZINC000917236757 665123210 /nfs/dbraw/zinc/12/32/10/665123210.db2.gz COIHCDKGPPHMGY-KBPBESRZSA-N 1 3 303.472 0.732 20 0 DCADHO Nc1ccnc2c1CN(S(=O)(=O)CCC[NH+]1CCCC1)CC2 ZINC000918899994 665188972 /nfs/dbraw/zinc/18/89/72/665188972.db2.gz MFIGRJBLVMZSLD-UHFFFAOYSA-N 1 3 324.450 0.838 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCN1C ZINC000919405054 665214069 /nfs/dbraw/zinc/21/40/69/665214069.db2.gz XOTWSWVNPAWAMP-IIAWOOMASA-N 1 3 324.469 0.879 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930113814 665254608 /nfs/dbraw/zinc/25/46/08/665254608.db2.gz NMMQFDKQFHIYCS-XIRDDKMYSA-N 1 3 311.470 0.748 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930113814 665254609 /nfs/dbraw/zinc/25/46/09/665254609.db2.gz NMMQFDKQFHIYCS-XIRDDKMYSA-N 1 3 311.470 0.748 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[N@@H+]1C ZINC000925334453 665288427 /nfs/dbraw/zinc/28/84/27/665288427.db2.gz KIHXTOLKHDQTCT-OFQRWUPVSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[N@H+]1C ZINC000925334453 665288428 /nfs/dbraw/zinc/28/84/28/665288428.db2.gz KIHXTOLKHDQTCT-OFQRWUPVSA-N 1 3 324.469 0.974 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000998085933 665397916 /nfs/dbraw/zinc/39/79/16/665397916.db2.gz KCLFCSHFJSGQRY-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000998115817 665402080 /nfs/dbraw/zinc/40/20/80/665402080.db2.gz QDSFCJFDCMJAST-AWEZNQCLSA-N 1 3 319.409 0.059 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941566547 666023590 /nfs/dbraw/zinc/02/35/90/666023590.db2.gz GYKYKCNPINVLSX-NVXWUHKLSA-N 1 3 322.497 0.669 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941566547 666023591 /nfs/dbraw/zinc/02/35/91/666023591.db2.gz GYKYKCNPINVLSX-NVXWUHKLSA-N 1 3 322.497 0.669 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423511378 666291774 /nfs/dbraw/zinc/29/17/74/666291774.db2.gz QDBHDNJGAUXVIO-MRXNPFEDSA-N 1 3 310.442 0.140 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C[C@@H]3CO)CC2)CC1 ZINC000922278648 666366437 /nfs/dbraw/zinc/36/64/37/666366437.db2.gz CSCGAIQPKBQASN-QGZVFWFLSA-N 1 3 321.465 0.942 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001032186356 666395570 /nfs/dbraw/zinc/39/55/70/666395570.db2.gz OWCOXJXXNFDSHQ-CABCVRRESA-N 1 3 309.454 0.801 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001032186356 666395573 /nfs/dbraw/zinc/39/55/73/666395573.db2.gz OWCOXJXXNFDSHQ-CABCVRRESA-N 1 3 309.454 0.801 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1)N(C)C ZINC001004471654 666546532 /nfs/dbraw/zinc/54/65/32/666546532.db2.gz CCWTZBNACAEWOM-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1)N(C)C ZINC001004471654 666546534 /nfs/dbraw/zinc/54/65/34/666546534.db2.gz CCWTZBNACAEWOM-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO COCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279673 666659833 /nfs/dbraw/zinc/65/98/33/666659833.db2.gz WCNYREHCGUYEQK-DGNOSDGRSA-N 1 3 323.437 0.029 20 0 DCADHO COCCN1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279673 666659834 /nfs/dbraw/zinc/65/98/34/666659834.db2.gz WCNYREHCGUYEQK-DGNOSDGRSA-N 1 3 323.437 0.029 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995802018 666707639 /nfs/dbraw/zinc/70/76/39/666707639.db2.gz MPBOGBKACKPSTC-QWHCGFSZSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995802018 666707642 /nfs/dbraw/zinc/70/76/42/666707642.db2.gz MPBOGBKACKPSTC-QWHCGFSZSA-N 1 3 310.442 0.171 20 0 DCADHO CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(CCO)C1 ZINC001033570526 666763743 /nfs/dbraw/zinc/76/37/43/666763743.db2.gz BIEZXDVPDQHHAG-MRXNPFEDSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C)C(N)=O ZINC000996673174 666854872 /nfs/dbraw/zinc/85/48/72/666854872.db2.gz SCRMNAZVRSMQIK-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1)N(C)C ZINC000996715163 666872708 /nfs/dbraw/zinc/87/27/08/666872708.db2.gz DQKOQUHSOYQRSM-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000996731184 666882822 /nfs/dbraw/zinc/88/28/22/666882822.db2.gz VLAQCWJVDGIASH-OAHLLOKOSA-N 1 3 319.453 0.985 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001034040476 666900952 /nfs/dbraw/zinc/90/09/52/666900952.db2.gz UHDVVLLHSNTZNW-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001034040476 666900955 /nfs/dbraw/zinc/90/09/55/666900955.db2.gz UHDVVLLHSNTZNW-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000861643531 666953169 /nfs/dbraw/zinc/95/31/69/666953169.db2.gz GVDNFHDBVAITSJ-HNNXBMFYSA-N 1 3 306.410 0.490 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC000997001562 667066163 /nfs/dbraw/zinc/06/61/63/667066163.db2.gz VDKJLWQGCPZRKJ-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034659633 667094641 /nfs/dbraw/zinc/09/46/41/667094641.db2.gz VRSCZRFLJKSGSD-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO Cc1cnn(CCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549287 667156024 /nfs/dbraw/zinc/15/60/24/667156024.db2.gz HGJVFOABBPRXHE-CABCVRRESA-N 1 3 319.409 0.449 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001035011394 667215152 /nfs/dbraw/zinc/21/51/52/667215152.db2.gz WAXWYLFLKLYHRK-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CCn1ccnc1CNC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997297387 667239639 /nfs/dbraw/zinc/23/96/39/667239639.db2.gz FRRNCDOYZDEYCH-AWEZNQCLSA-N 1 3 319.453 0.935 20 0 DCADHO CCn1ccnc1CNC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997297387 667239641 /nfs/dbraw/zinc/23/96/41/667239641.db2.gz FRRNCDOYZDEYCH-AWEZNQCLSA-N 1 3 319.453 0.935 20 0 DCADHO CN1CCC[C@@H]([NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000997307529 667244203 /nfs/dbraw/zinc/24/42/03/667244203.db2.gz UBMNCIFDALWRPV-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCCc2ccncc2)C1 ZINC000866712442 667389746 /nfs/dbraw/zinc/38/97/46/667389746.db2.gz TTZVOWCUZMAYMP-HRCADAONSA-N 1 3 316.405 0.881 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035723299 667404178 /nfs/dbraw/zinc/40/41/78/667404178.db2.gz VAQCSRDUXJFIJI-MRXNPFEDSA-N 1 3 323.481 0.881 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035723299 667404179 /nfs/dbraw/zinc/40/41/79/667404179.db2.gz VAQCSRDUXJFIJI-MRXNPFEDSA-N 1 3 323.481 0.881 20 0 DCADHO CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CN3CC4CC3(C4)CO1)CC2 ZINC001035757536 667406904 /nfs/dbraw/zinc/40/69/04/667406904.db2.gz KKSIYZSEPDLHBB-SWKXRBFHSA-N 1 3 319.449 0.794 20 0 DCADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCC(O)(C[NH3+])CC2)c1 ZINC000923382797 667521774 /nfs/dbraw/zinc/52/17/74/667521774.db2.gz VANSQHWQQAZCTI-HNNXBMFYSA-N 1 3 308.422 0.829 20 0 DCADHO O=C(CCN1CCNCC[NH2+]CC1)N1CCc2sccc2C1 ZINC000923460614 667538305 /nfs/dbraw/zinc/53/83/05/667538305.db2.gz IMOAUNAWLJUXTP-UHFFFAOYSA-N 1 3 322.478 0.518 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000868214985 667543015 /nfs/dbraw/zinc/54/30/15/667543015.db2.gz AAIYKLHEGUTIHQ-FPCVCCKLSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]21 ZINC000868214985 667543017 /nfs/dbraw/zinc/54/30/17/667543017.db2.gz AAIYKLHEGUTIHQ-FPCVCCKLSA-N 1 3 322.453 0.585 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000923491690 667546766 /nfs/dbraw/zinc/54/67/66/667546766.db2.gz MDXVYGSOPWOVKI-HIFRSBDPSA-N 1 3 303.406 0.777 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001751976017 1157756978 /nfs/dbraw/zinc/75/69/78/1157756978.db2.gz VHBOGIAYDNYRLO-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001751976017 1157756981 /nfs/dbraw/zinc/75/69/81/1157756981.db2.gz VHBOGIAYDNYRLO-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000884576943 667569190 /nfs/dbraw/zinc/56/91/90/667569190.db2.gz UGAMMUWRTOBCBG-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884617381 667576174 /nfs/dbraw/zinc/57/61/74/667576174.db2.gz LNGQVMGIPCLWIT-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000884774045 667605348 /nfs/dbraw/zinc/60/53/48/667605348.db2.gz AOMWZJUJXUKZAV-OKILXGFUSA-N 1 3 322.453 0.187 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000884775404 667605396 /nfs/dbraw/zinc/60/53/96/667605396.db2.gz CZJYUNSEBWFLNY-HZSPNIEDSA-N 1 3 308.426 0.069 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884908758 667622078 /nfs/dbraw/zinc/62/20/78/667622078.db2.gz CDYHCELCKKJKQS-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H]1CCCCN1CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923611906 667664084 /nfs/dbraw/zinc/66/40/84/667664084.db2.gz YYJSBZQESMGWNE-UONOGXRCSA-N 1 3 303.472 0.922 20 0 DCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCNCC1 ZINC000923623376 667763409 /nfs/dbraw/zinc/76/34/09/667763409.db2.gz BDSIHXKDSPSUQV-HZSPNIEDSA-N 1 3 318.487 0.092 20 0 DCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCNCC1 ZINC000923623376 667763411 /nfs/dbraw/zinc/76/34/11/667763411.db2.gz BDSIHXKDSPSUQV-HZSPNIEDSA-N 1 3 318.487 0.092 20 0 DCADHO COC(=O)CCN(C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000743872624 667817442 /nfs/dbraw/zinc/81/74/42/667817442.db2.gz VROXEAGNGILRLP-OAHLLOKOSA-N 1 3 314.426 0.487 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889770181 667994900 /nfs/dbraw/zinc/99/49/00/667994900.db2.gz YXCFLVQXGRQGRH-XUWVNRHRSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889770181 667994901 /nfs/dbraw/zinc/99/49/01/667994901.db2.gz YXCFLVQXGRQGRH-XUWVNRHRSA-N 1 3 309.454 0.917 20 0 DCADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000873263165 668070302 /nfs/dbraw/zinc/07/03/02/668070302.db2.gz SVAKLBBLWZUQPB-ZFWWWQNUSA-N 1 3 311.451 0.854 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924478314 668209940 /nfs/dbraw/zinc/20/99/40/668209940.db2.gz JJSDXYJGEBCTHY-MCIONIFRSA-N 1 3 310.442 0.836 20 0 DCADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCCN(CCN3CCOCC3)C2)C12CCC2 ZINC000925769647 668347058 /nfs/dbraw/zinc/34/70/58/668347058.db2.gz QEQDKCYNHHJJBH-BBWFWOEESA-N 1 3 322.497 0.643 20 0 DCADHO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nc(N)n1 ZINC000764188414 668437515 /nfs/dbraw/zinc/43/75/15/668437515.db2.gz QIGVTYQDORIVFT-TZMCWYRMSA-N 1 3 304.442 0.829 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876777921 668509065 /nfs/dbraw/zinc/50/90/65/668509065.db2.gz SQQJAQAPAJLULE-UKRRQHHQSA-N 1 3 315.433 0.940 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876781276 668509550 /nfs/dbraw/zinc/50/95/50/668509550.db2.gz OAYWNSJPQLTFLE-UXLLHSPISA-N 1 3 308.470 0.661 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000876845694 668519981 /nfs/dbraw/zinc/51/99/81/668519981.db2.gz HHDFFXPANVLHOJ-QRTARXTBSA-N 1 3 303.406 0.757 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870676 668524934 /nfs/dbraw/zinc/52/49/34/668524934.db2.gz BTMDTOLBTRTPHX-PMPSAXMXSA-N 1 3 302.422 0.266 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876875786 668525450 /nfs/dbraw/zinc/52/54/50/668525450.db2.gz APUORVIOFWRRNR-IHRRRGAJSA-N 1 3 301.406 0.503 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876878946 668526197 /nfs/dbraw/zinc/52/61/97/668526197.db2.gz DYBISMNAYWDAIL-ZFWWWQNUSA-N 1 3 308.401 0.919 20 0 DCADHO CN(C)C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000876881177 668527283 /nfs/dbraw/zinc/52/72/83/668527283.db2.gz CXNPAILICAKNLP-UONOGXRCSA-N 1 3 312.845 0.948 20 0 DCADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000876973556 668545708 /nfs/dbraw/zinc/54/57/08/668545708.db2.gz KBCYMAZDHNRFND-AIROSISHSA-N 1 3 307.438 0.912 20 0 DCADHO CCC(CC)(C[NH3+])C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000877250101 668583413 /nfs/dbraw/zinc/58/34/13/668583413.db2.gz FYALJKFJBVDKLL-UHFFFAOYSA-N 1 3 310.486 0.990 20 0 DCADHO C[C@@H](NC(=O)[C@H](N)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000877252173 668584884 /nfs/dbraw/zinc/58/48/84/668584884.db2.gz HBPNCQVWQXMSPL-RHSMWYFYSA-N 1 3 318.465 0.950 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877271661 668588872 /nfs/dbraw/zinc/58/88/72/668588872.db2.gz DIXBTHPEJNHRCK-ULQDDVLXSA-N 1 3 316.449 0.799 20 0 DCADHO [NH3+]CCCn1cc(C(=O)NC[C@@H]2Cc3ccccc3CN2)nn1 ZINC000877340241 668604554 /nfs/dbraw/zinc/60/45/54/668604554.db2.gz HMNUONPNLZCLTP-AWEZNQCLSA-N 1 3 314.393 0.071 20 0 DCADHO [NH3+]CCCn1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)nn1 ZINC000877340242 668604788 /nfs/dbraw/zinc/60/47/88/668604788.db2.gz HMNUONPNLZCLTP-CQSZACIVSA-N 1 3 314.393 0.071 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877343336 668605604 /nfs/dbraw/zinc/60/56/04/668605604.db2.gz KRXNSZDYILUPOM-KGLIPLIRSA-N 1 3 305.378 0.098 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000877450497 668619904 /nfs/dbraw/zinc/61/99/04/668619904.db2.gz CQKAAGSVURKECN-BPLDGKMQSA-N 1 3 318.425 0.511 20 0 DCADHO Cc1nccn1CCCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878288158 668708180 /nfs/dbraw/zinc/70/81/80/668708180.db2.gz QWAABGIKCQUYED-UHFFFAOYSA-N 1 3 307.442 0.724 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)CC(C)(C)O ZINC000878311785 668711597 /nfs/dbraw/zinc/71/15/97/668711597.db2.gz YUPBNXBSJJCAMK-HNNXBMFYSA-N 1 3 301.475 0.466 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)CC(C)(C)O ZINC000878311785 668711600 /nfs/dbraw/zinc/71/16/00/668711600.db2.gz YUPBNXBSJJCAMK-HNNXBMFYSA-N 1 3 301.475 0.466 20 0 DCADHO COCC[NH2+]C1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC001754742524 1157851654 /nfs/dbraw/zinc/85/16/54/1157851654.db2.gz JVZVENJSBNCNQD-UHFFFAOYSA-N 1 3 301.431 0.228 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522198 669053216 /nfs/dbraw/zinc/05/32/16/669053216.db2.gz GPKNSCGPIYEJJG-RDJZCZTQSA-N 1 3 307.438 0.954 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522198 669053221 /nfs/dbraw/zinc/05/32/21/669053221.db2.gz GPKNSCGPIYEJJG-RDJZCZTQSA-N 1 3 307.438 0.954 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)CC1 ZINC000930916045 669105344 /nfs/dbraw/zinc/10/53/44/669105344.db2.gz LEUXREXIKHVVRB-UMVBOHGHSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)OC[C@@H](O)C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284824 669173526 /nfs/dbraw/zinc/17/35/26/669173526.db2.gz DIYPWBSIBZUDBV-INIZCTEOSA-N 1 3 300.443 0.959 20 0 DCADHO CN(C[C@H](O)C[NH+]1CCCC1)C1CCN(c2cnccn2)CC1 ZINC000789370026 669488864 /nfs/dbraw/zinc/48/88/64/669488864.db2.gz APTJZUPAPIIVSZ-INIZCTEOSA-N 1 3 319.453 0.834 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000847311593 670534890 /nfs/dbraw/zinc/53/48/90/670534890.db2.gz HEIKFXSIHSLJSP-BYNSBNAKSA-N 1 3 310.442 0.489 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(O)CCSCC1 ZINC000855346384 670701072 /nfs/dbraw/zinc/70/10/72/670701072.db2.gz ZQFVTYWNMZXNFN-ZDUSSCGKSA-N 1 3 317.499 0.633 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(O)CCSCC1 ZINC000855346384 670701076 /nfs/dbraw/zinc/70/10/76/670701076.db2.gz ZQFVTYWNMZXNFN-ZDUSSCGKSA-N 1 3 317.499 0.633 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCc1ccccc1 ZINC000848994434 670746699 /nfs/dbraw/zinc/74/66/99/670746699.db2.gz KCORWLIQVDLXNS-HNNXBMFYSA-N 1 3 317.437 0.901 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN(C(C)=O)C1 ZINC000849024468 670751474 /nfs/dbraw/zinc/75/14/74/670751474.db2.gz JPAZWHXPSCEZBO-LSDHHAIUSA-N 1 3 309.458 0.843 20 0 DCADHO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000849523677 670813553 /nfs/dbraw/zinc/81/35/53/670813553.db2.gz XJVJUBPWNAWKNH-ARFHVFGLSA-N 1 3 319.453 0.666 20 0 DCADHO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000849523677 670813563 /nfs/dbraw/zinc/81/35/63/670813563.db2.gz XJVJUBPWNAWKNH-ARFHVFGLSA-N 1 3 319.453 0.666 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849608331 670825235 /nfs/dbraw/zinc/82/52/35/670825235.db2.gz OLKYDRHFTVZQAP-BMFZPTHFSA-N 1 3 321.469 0.912 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000851658011 671005439 /nfs/dbraw/zinc/00/54/39/671005439.db2.gz SXERUDSNJLNQGL-PWSUYJOCSA-N 1 3 322.413 0.313 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851676599 671010650 /nfs/dbraw/zinc/01/06/50/671010650.db2.gz LKMFXEFSRIKKKU-SNPRPXQTSA-N 1 3 308.426 0.243 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCOC(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000852747080 671155054 /nfs/dbraw/zinc/15/50/54/671155054.db2.gz WZHZIZJHUOVNPP-NWDGAFQWSA-N 1 3 305.369 0.806 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)CCO1 ZINC000852754608 671156832 /nfs/dbraw/zinc/15/68/32/671156832.db2.gz XWUWUVIDTBDJED-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)=NO1 ZINC000852860594 671176690 /nfs/dbraw/zinc/17/66/90/671176690.db2.gz SFWLUXOZPFMLEP-HUUCEWRRSA-N 1 3 316.405 0.871 20 0 DCADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]nc2c1CNCC2 ZINC000852899691 671189756 /nfs/dbraw/zinc/18/97/56/671189756.db2.gz LBVGDOKIIZCSQV-KBPBESRZSA-N 1 3 303.410 0.802 20 0 DCADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1[nH]nc2c1CNCC2 ZINC000852899691 671189759 /nfs/dbraw/zinc/18/97/59/671189759.db2.gz LBVGDOKIIZCSQV-KBPBESRZSA-N 1 3 303.410 0.802 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000827309323 671522306 /nfs/dbraw/zinc/52/23/06/671522306.db2.gz GROYZGHCHCMAGC-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000827309323 671522307 /nfs/dbraw/zinc/52/23/07/671522307.db2.gz GROYZGHCHCMAGC-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO Cc1c(C(=O)NCCN2CCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000831970922 671694494 /nfs/dbraw/zinc/69/44/94/671694494.db2.gz OKSVNTJIGSQMNS-GFCCVEGCSA-N 1 3 320.441 0.725 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000930149018 671839993 /nfs/dbraw/zinc/83/99/93/671839993.db2.gz WRYSAERPUZVGDS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@H+]1C ZINC000930149018 671839999 /nfs/dbraw/zinc/83/99/99/671839999.db2.gz WRYSAERPUZVGDS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CC[C@@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841286547 671925630 /nfs/dbraw/zinc/92/56/30/671925630.db2.gz DJSSSMMXEOCLCA-CQSZACIVSA-N 1 3 322.409 0.866 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000841790505 671955562 /nfs/dbraw/zinc/95/55/62/671955562.db2.gz DLPGMVKGQVRHBF-GBJTYRQASA-N 1 3 310.442 0.537 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000841791235 671956072 /nfs/dbraw/zinc/95/60/72/671956072.db2.gz QKNYMPCAQOCXQG-UONOGXRCSA-N 1 3 310.442 0.810 20 0 DCADHO CC1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000841791211 671956152 /nfs/dbraw/zinc/95/61/52/671956152.db2.gz POEKEBAGWACFLO-KGLIPLIRSA-N 1 3 310.442 0.539 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000841791234 671956171 /nfs/dbraw/zinc/95/61/71/671956171.db2.gz QKNYMPCAQOCXQG-KGLIPLIRSA-N 1 3 310.442 0.810 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841791383 671956409 /nfs/dbraw/zinc/95/64/09/671956409.db2.gz VRJDJLPYCXUIFL-RRFJBIMHSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000842014598 671974018 /nfs/dbraw/zinc/97/40/18/671974018.db2.gz CVBIOORGQPGQAW-WMLDXEAASA-N 1 3 322.453 0.189 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016383 671974847 /nfs/dbraw/zinc/97/48/47/671974847.db2.gz UZLFCTITTRLPPQ-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000842016831 671975338 /nfs/dbraw/zinc/97/53/38/671975338.db2.gz YPIZUFROOSZTJB-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCCCCC[NH3+])N1CCCCC1 ZINC000843259039 672075868 /nfs/dbraw/zinc/07/58/68/672075868.db2.gz HYBUIKFICTVLNE-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843259790 672075974 /nfs/dbraw/zinc/07/59/74/672075974.db2.gz QYYVTWBMSMGUNC-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000843259870 672076320 /nfs/dbraw/zinc/07/63/20/672076320.db2.gz SJNRPKMWCJZDSE-AWEZNQCLSA-N 1 3 310.442 0.222 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC([NH3+])CC1)C(=O)N1CCCCC1 ZINC000843355755 672086573 /nfs/dbraw/zinc/08/65/73/672086573.db2.gz WMIHZAZGVOWFBH-NFOMZHRRSA-N 1 3 324.469 0.705 20 0 DCADHO CN1CCN(C2CC[NH+](CCOC[C@@H]3CCCO3)CC2)CC1 ZINC000879592025 685399238 /nfs/dbraw/zinc/39/92/38/685399238.db2.gz CGHJOSGDTQEFQS-KRWDZBQOSA-N 1 3 311.470 0.894 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000953899659 685893302 /nfs/dbraw/zinc/89/33/02/685893302.db2.gz LOEXIZQTIFUZQN-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953899659 685893305 /nfs/dbraw/zinc/89/33/05/685893305.db2.gz LOEXIZQTIFUZQN-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC000953903539 685894370 /nfs/dbraw/zinc/89/43/70/685894370.db2.gz WDOFEJHRBZGXPJ-HUUCEWRRSA-N 1 3 324.469 0.336 20 0 DCADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535523 694109874 /nfs/dbraw/zinc/10/98/74/694109874.db2.gz KEEKDPVTPKFFQL-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535523 694109879 /nfs/dbraw/zinc/10/98/79/694109879.db2.gz KEEKDPVTPKFFQL-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000961413498 688612646 /nfs/dbraw/zinc/61/26/46/688612646.db2.gz DPFIPSFYOATTIV-HNNXBMFYSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000961413498 688612647 /nfs/dbraw/zinc/61/26/47/688612647.db2.gz DPFIPSFYOATTIV-HNNXBMFYSA-N 1 3 320.437 0.895 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962730756 688972416 /nfs/dbraw/zinc/97/24/16/688972416.db2.gz PDPMTAWRPXBDSG-KKBVYLPWSA-N 1 3 317.433 0.789 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962730756 688972420 /nfs/dbraw/zinc/97/24/20/688972420.db2.gz PDPMTAWRPXBDSG-KKBVYLPWSA-N 1 3 317.433 0.789 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000967895224 690114828 /nfs/dbraw/zinc/11/48/28/690114828.db2.gz HANIBSLHSRPFKF-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC000968738307 690382484 /nfs/dbraw/zinc/38/24/84/690382484.db2.gz RZXMAVYZROADLA-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC000968738307 690382489 /nfs/dbraw/zinc/38/24/89/690382489.db2.gz RZXMAVYZROADLA-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000968907012 690420892 /nfs/dbraw/zinc/42/08/92/690420892.db2.gz BCLLKAPTIPGVTP-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011321357 691509799 /nfs/dbraw/zinc/50/97/99/691509799.db2.gz KRLWZEQCRHSPCN-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011321357 691509801 /nfs/dbraw/zinc/50/98/01/691509801.db2.gz KRLWZEQCRHSPCN-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001011657186 691594440 /nfs/dbraw/zinc/59/44/40/691594440.db2.gz PTLAUMIGBXBOPJ-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CCCO)CC2 ZINC001016953077 692813084 /nfs/dbraw/zinc/81/30/84/692813084.db2.gz ZXBJYHGPMNSZCJ-CQSZACIVSA-N 1 3 306.410 0.614 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018835600 693256125 /nfs/dbraw/zinc/25/61/25/693256125.db2.gz KDPKIGOUDIOAIS-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018835600 693256126 /nfs/dbraw/zinc/25/61/26/693256126.db2.gz KDPKIGOUDIOAIS-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001019032263 693330054 /nfs/dbraw/zinc/33/00/54/693330054.db2.gz NQRJVQOMEWWPTD-BFHYXJOUSA-N 1 3 310.442 0.138 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001019229846 693399606 /nfs/dbraw/zinc/39/96/06/693399606.db2.gz BRDZGWFRJHDVPQ-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001019241615 693405044 /nfs/dbraw/zinc/40/50/44/693405044.db2.gz OMULOAVQEBXDGT-SOUVJXGZSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001019381094 693454299 /nfs/dbraw/zinc/45/42/99/693454299.db2.gz XVJMPGAYQIVKLI-HOCLYGCPSA-N 1 3 319.453 0.637 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](NCC(N)=O)C2)c1 ZINC001019810680 693591777 /nfs/dbraw/zinc/59/17/77/693591777.db2.gz DUDVQHMNHAXUIU-AWEZNQCLSA-N 1 3 304.394 0.038 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812187 693593295 /nfs/dbraw/zinc/59/32/95/693593295.db2.gz AOCWWHRLOMDLCK-HNNXBMFYSA-N 1 3 319.453 0.987 20 0 DCADHO COC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072814345 694669469 /nfs/dbraw/zinc/66/94/69/694669469.db2.gz AMUNNVNIGYXDKZ-UKRRQHHQSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072814345 694669471 /nfs/dbraw/zinc/66/94/71/694669471.db2.gz AMUNNVNIGYXDKZ-UKRRQHHQSA-N 1 3 309.454 0.896 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](CC[C@H]1CCOC1)C2 ZINC001073016166 694695001 /nfs/dbraw/zinc/69/50/01/694695001.db2.gz LJNASVZGJCIUAB-AWEZNQCLSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](CC[C@H]1CCOC1)C2 ZINC001073016166 694695002 /nfs/dbraw/zinc/69/50/02/694695002.db2.gz LJNASVZGJCIUAB-AWEZNQCLSA-N 1 3 318.421 0.913 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687794 694917146 /nfs/dbraw/zinc/91/71/46/694917146.db2.gz MTWQFFDIPZYOIT-QEJZJMRPSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C)C(N)=O ZINC001074878418 694928195 /nfs/dbraw/zinc/92/81/95/694928195.db2.gz TXRIAOLOJFLXIA-AVGNSLFASA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C)C(N)=O ZINC001074884521 694928515 /nfs/dbraw/zinc/92/85/15/694928515.db2.gz JPGPDAVPYCBVPY-IHRRRGAJSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106496 694938211 /nfs/dbraw/zinc/93/82/11/694938211.db2.gz DQXROEBCCCSWDO-QEJZJMRPSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106496 694938212 /nfs/dbraw/zinc/93/82/12/694938212.db2.gz DQXROEBCCCSWDO-QEJZJMRPSA-N 1 3 305.426 0.451 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001075169206 694940736 /nfs/dbraw/zinc/94/07/36/694940736.db2.gz HNKGNWBWGXIUBZ-VWPFQQQWSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001075876764 694982990 /nfs/dbraw/zinc/98/29/90/694982990.db2.gz VEHFAGJUEIBIEY-ARFHVFGLSA-N 1 3 309.454 0.489 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001075876764 694982991 /nfs/dbraw/zinc/98/29/91/694982991.db2.gz VEHFAGJUEIBIEY-ARFHVFGLSA-N 1 3 309.454 0.489 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076589812 695030700 /nfs/dbraw/zinc/03/07/00/695030700.db2.gz OROWUDBXLDKAQP-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076589812 695030701 /nfs/dbraw/zinc/03/07/01/695030701.db2.gz OROWUDBXLDKAQP-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)o1 ZINC001076714014 695040042 /nfs/dbraw/zinc/04/00/42/695040042.db2.gz DOJBOLQZUCFTBU-MGPQQGTHSA-N 1 3 308.378 0.790 20 0 DCADHO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)o1 ZINC001076714014 695040043 /nfs/dbraw/zinc/04/00/43/695040043.db2.gz DOJBOLQZUCFTBU-MGPQQGTHSA-N 1 3 308.378 0.790 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001571379920 1162722999 /nfs/dbraw/zinc/72/29/99/1162722999.db2.gz FMLFQMRVRVAQKM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H]1CCN(C)C1=O ZINC001752212548 1157887402 /nfs/dbraw/zinc/88/74/02/1157887402.db2.gz OFDGJWLKXHVSBR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H]1CCN(C)C1=O ZINC001752212548 1157887411 /nfs/dbraw/zinc/88/74/11/1157887411.db2.gz OFDGJWLKXHVSBR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCN(C)C1=O ZINC001752212548 1157887420 /nfs/dbraw/zinc/88/74/20/1157887420.db2.gz OFDGJWLKXHVSBR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCN(C)C1=O ZINC001752212548 1157887433 /nfs/dbraw/zinc/88/74/33/1157887433.db2.gz OFDGJWLKXHVSBR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO [NH3+]Cc1nc(CC(=O)N2CC[C@H](CN3CCOCC3)C2)cs1 ZINC001648976709 1158264535 /nfs/dbraw/zinc/26/45/35/1158264535.db2.gz ZGQVGBIOKWFNJE-GFCCVEGCSA-N 1 3 324.450 0.325 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082104 1158436164 /nfs/dbraw/zinc/43/61/64/1158436164.db2.gz LEKQOSJCUKILQC-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082104 1158436167 /nfs/dbraw/zinc/43/61/67/1158436167.db2.gz LEKQOSJCUKILQC-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO C[S@](=O)C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[NH2+]CC1 ZINC001649114650 1158647838 /nfs/dbraw/zinc/64/78/38/1158647838.db2.gz ZTJGXIHNDMDRGD-SOHPYSCWSA-N 1 3 321.446 0.228 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](N)CC2CC2)CC1 ZINC001333641675 1159165872 /nfs/dbraw/zinc/16/58/72/1159165872.db2.gz AGAIAHOMGCZJJP-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001449064434 1159740443 /nfs/dbraw/zinc/74/04/43/1159740443.db2.gz WNUTZDRNPNQOHQ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)[C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001566456576 1159986555 /nfs/dbraw/zinc/98/65/55/1159986555.db2.gz IJVSZIHQJWXNIU-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)[C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001566456576 1159986559 /nfs/dbraw/zinc/98/65/59/1159986559.db2.gz IJVSZIHQJWXNIU-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCCN(C)C1=O ZINC001566508358 1160027811 /nfs/dbraw/zinc/02/78/11/1160027811.db2.gz BEIUNYFSTOQPHN-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001567140425 1160254811 /nfs/dbraw/zinc/25/48/11/1160254811.db2.gz LSIOTNRHKGPAKT-BBRMVZONSA-N 1 3 315.433 0.629 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001567504429 1160399786 /nfs/dbraw/zinc/39/97/86/1160399786.db2.gz KFLKNNUUMVUTLB-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001567504429 1160399791 /nfs/dbraw/zinc/39/97/91/1160399791.db2.gz KFLKNNUUMVUTLB-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001567610560 1160439056 /nfs/dbraw/zinc/43/90/56/1160439056.db2.gz FJBLUCOMXOYGGB-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001567610560 1160439061 /nfs/dbraw/zinc/43/90/61/1160439061.db2.gz FJBLUCOMXOYGGB-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N1CCC1 ZINC001567610469 1160439507 /nfs/dbraw/zinc/43/95/07/1160439507.db2.gz BDMGQHPBTLJLLZ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001568641515 1160719376 /nfs/dbraw/zinc/71/93/76/1160719376.db2.gz XKFSJYDSDGGAQK-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCN1CCCC1=O ZINC001568826355 1160791451 /nfs/dbraw/zinc/79/14/51/1160791451.db2.gz AKYWNIIGPMEOCF-GWQWAINWSA-N 1 3 322.453 0.355 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001568970703 1160905087 /nfs/dbraw/zinc/90/50/87/1160905087.db2.gz ZCLONAKQYZPEPW-BWPKMQGJSA-N 1 3 322.453 0.355 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001570159716 1161458803 /nfs/dbraw/zinc/45/88/03/1161458803.db2.gz HQCPUSNTJIYFOX-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001575139587 1163914542 /nfs/dbraw/zinc/91/45/42/1163914542.db2.gz NPARJKRACJAWLH-LRDDRELGSA-N 1 3 308.426 0.874 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](CNCc1cn[nH]n1)C1CC1 ZINC001575420140 1164009398 /nfs/dbraw/zinc/00/93/98/1164009398.db2.gz JEXYYDWBEAAAMB-CABCVRRESA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CNCc1cn[nH]n1)C1CC1 ZINC001575420140 1164009404 /nfs/dbraw/zinc/00/94/04/1164009404.db2.gz JEXYYDWBEAAAMB-CABCVRRESA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N2CC3(C2)CC[NH2+]C3)CC1 ZINC001575780762 1164147508 /nfs/dbraw/zinc/14/75/08/1164147508.db2.gz YUGZEICQYXTFAG-UHFFFAOYSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1C[C@H](NCc2c[nH]nn2)CN1C(=O)CCCC[NH+](C)C ZINC001576056534 1164226182 /nfs/dbraw/zinc/22/61/82/1164226182.db2.gz CIIWOFQRFRNOLF-STQMWFEESA-N 1 3 308.430 0.616 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CN(CCc2cn[nH]n2)C1 ZINC001576073321 1164230717 /nfs/dbraw/zinc/23/07/17/1164230717.db2.gz OJFLQASFOQVXLP-BETUJISGSA-N 1 3 320.441 0.268 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CN(CCc2cn[nH]n2)C1 ZINC001576073321 1164230726 /nfs/dbraw/zinc/23/07/26/1164230726.db2.gz OJFLQASFOQVXLP-BETUJISGSA-N 1 3 320.441 0.268 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CN(CCc2cn[nH]n2)C1 ZINC001576073323 1164232266 /nfs/dbraw/zinc/23/22/66/1164232266.db2.gz OJFLQASFOQVXLP-STQMWFEESA-N 1 3 320.441 0.268 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001576747480 1164449233 /nfs/dbraw/zinc/44/92/33/1164449233.db2.gz BCHJGROQFNMCAW-KBXIAJHMSA-N 1 3 315.483 0.778 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2CCc2cn[nH]n2)CC1 ZINC001576878343 1164513630 /nfs/dbraw/zinc/51/36/30/1164513630.db2.gz ZWUDRWUYSSJGFS-HNNXBMFYSA-N 1 3 320.441 0.270 20 0 DCADHO CC[C@H]1CN(c2nnc(C)n2CCN(C)CCOC)CC[C@H]1[NH3+] ZINC001577293136 1164661879 /nfs/dbraw/zinc/66/18/79/1164661879.db2.gz YLUMZDISFHBYBK-LSDHHAIUSA-N 1 3 324.473 0.728 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001577383893 1164681236 /nfs/dbraw/zinc/68/12/36/1164681236.db2.gz VOANODJSUKXQJG-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001577383893 1164681240 /nfs/dbraw/zinc/68/12/40/1164681240.db2.gz VOANODJSUKXQJG-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN1C[C@H](C[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CC1=O ZINC001577530872 1164715383 /nfs/dbraw/zinc/71/53/83/1164715383.db2.gz PDZIIADJLGIULE-CABCVRRESA-N 1 3 321.469 0.694 20 0 DCADHO CCN(C)c1ccc(CN[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)cn1 ZINC001577658144 1164755575 /nfs/dbraw/zinc/75/55/75/1164755575.db2.gz XSHUFWBMOHTTOH-CYBMUJFWSA-N 1 3 303.410 0.200 20 0 DCADHO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(CN)o2)CC1 ZINC001577778148 1164791064 /nfs/dbraw/zinc/79/10/64/1164791064.db2.gz HROQGFJRWVBEJX-UHFFFAOYSA-N 1 3 308.426 0.884 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001578451778 1165022153 /nfs/dbraw/zinc/02/21/53/1165022153.db2.gz NDFVFCOANCQXHU-STQMWFEESA-N 1 3 306.414 0.369 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@H]1CN(c2ccccc2)CCO1 ZINC001578471723 1165027427 /nfs/dbraw/zinc/02/74/27/1165027427.db2.gz JGAZQBYFWSUSGF-SFHVURJKSA-N 1 3 318.465 0.729 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001578640110 1165073943 /nfs/dbraw/zinc/07/39/43/1165073943.db2.gz FBWSKDHJSRUPRT-YCPHGPKFSA-N 1 3 307.438 0.840 20 0 DCADHO C[NH2+]C[C@@H](O)CN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001578645939 1165076503 /nfs/dbraw/zinc/07/65/03/1165076503.db2.gz ADTVIGDBFPMKHA-CABCVRRESA-N 1 3 308.426 0.511 20 0 DCADHO C[NH2+]CC1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC001578664344 1165084308 /nfs/dbraw/zinc/08/43/08/1165084308.db2.gz RTYFGMPXPVLIML-HNNXBMFYSA-N 1 3 315.483 0.734 20 0 DCADHO COCOc1ccc(OC)cc1CN[C@@H]1COC2(C[NH2+]C2)C1 ZINC001579078431 1165201430 /nfs/dbraw/zinc/20/14/30/1165201430.db2.gz SQQPGWPSRAODSW-ZDUSSCGKSA-N 1 3 308.378 0.898 20 0 DCADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+](CCN)CCO ZINC001579434351 1165307997 /nfs/dbraw/zinc/30/79/97/1165307997.db2.gz RMAPWRNUIDJWOH-CHWSQXEVSA-N 1 3 301.431 0.742 20 0 DCADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+](CCN)CCO ZINC001579434351 1165308006 /nfs/dbraw/zinc/30/80/06/1165308006.db2.gz RMAPWRNUIDJWOH-CHWSQXEVSA-N 1 3 301.431 0.742 20 0 DCADHO Cc1cc(=O)[n-]c(N2CC[NH+](C[C@@]3(O)CCC[NH2+]CC3)CC2)n1 ZINC001579547087 1165344980 /nfs/dbraw/zinc/34/49/80/1165344980.db2.gz CGTPLBWVUGLZFY-MRXNPFEDSA-N 1 3 321.425 0.117 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@H]1CN(C3CC3)C(=O)O1)CC2 ZINC001580257116 1165549919 /nfs/dbraw/zinc/54/99/19/1165549919.db2.gz AHXLYHIMNRUFRG-KGLIPLIRSA-N 1 3 309.410 0.799 20 0 DCADHO [NH3+]CC[C@@H](O)CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001580284555 1165558745 /nfs/dbraw/zinc/55/87/45/1165558745.db2.gz IVBIGJCZHIVLGH-NXEZZACHSA-N 1 3 304.316 0.994 20 0 DCADHO [NH3+]CCc1cnc2c(C(=O)NCCN3CCCCC3)cnn2c1 ZINC001580316761 1165568374 /nfs/dbraw/zinc/56/83/74/1165568374.db2.gz IFTXZYDGIPIBEY-UHFFFAOYSA-N 1 3 316.409 0.446 20 0 DCADHO C[C@H]([NH3+])C1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589912895 1166717768 /nfs/dbraw/zinc/71/77/68/1166717768.db2.gz LYUCNIGEJVOONJ-XHDPSFHLSA-N 1 3 316.409 0.959 20 0 DCADHO C[C@H]([NH3+])C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589912895 1166717773 /nfs/dbraw/zinc/71/77/73/1166717773.db2.gz LYUCNIGEJVOONJ-XHDPSFHLSA-N 1 3 316.409 0.959 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1[NH2+]CC12CCOCC2 ZINC001646720730 1172490686 /nfs/dbraw/zinc/49/06/86/1172490686.db2.gz HOLKEIJZWVAHIL-JKSUJKDBSA-N 1 3 315.417 0.758 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001646747672 1172507393 /nfs/dbraw/zinc/50/73/93/1172507393.db2.gz JUIKMARZLIWVJV-WTTBNOFXSA-N 1 3 319.449 0.982 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC001646748092 1172507684 /nfs/dbraw/zinc/50/76/84/1172507684.db2.gz ZWZVWPSFFBPTMG-WDMOLILDSA-N 1 3 316.405 0.721 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@H]4N)CC[C@H]21 ZINC001646781817 1172529360 /nfs/dbraw/zinc/52/93/60/1172529360.db2.gz XPYWWQTZMOCAME-YRGRVCCFSA-N 1 3 303.410 0.843 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@H]4N)CC[C@H]21 ZINC001646781817 1172529365 /nfs/dbraw/zinc/52/93/65/1172529365.db2.gz XPYWWQTZMOCAME-YRGRVCCFSA-N 1 3 303.410 0.843 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001646787645 1172532142 /nfs/dbraw/zinc/53/21/42/1172532142.db2.gz CKOIMPRGGZXUDL-VLXAULBPSA-N 1 3 311.426 0.312 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001649935546 1173319819 /nfs/dbraw/zinc/31/98/19/1173319819.db2.gz DHBMMTUNMSFLGW-UHFFFAOYSA-N 1 3 303.472 0.734 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001649996462 1173364798 /nfs/dbraw/zinc/36/47/98/1173364798.db2.gz RWEYZZPVNXLWDN-ZIAGYGMSSA-N 1 3 311.474 0.534 20 0 DCADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001650160352 1173489736 /nfs/dbraw/zinc/48/97/36/1173489736.db2.gz PILJVUXBAXBAII-QSJFSLAZSA-N 1 3 322.453 0.763 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001650182538 1173503568 /nfs/dbraw/zinc/50/35/68/1173503568.db2.gz LPFHSNFHNCGRNE-KGLIPLIRSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCCO ZINC001656448661 1173863283 /nfs/dbraw/zinc/86/32/83/1173863283.db2.gz UALDPPARCKUKIE-DZGCQCFKSA-N 1 3 308.426 0.941 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CN[C@@H]2CCCN(C)C2=O)C1 ZINC001669040636 1174882563 /nfs/dbraw/zinc/88/25/63/1174882563.db2.gz YLULJLYCRXGQQP-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CN[C@@H]2CCCN(C)C2=O)C1 ZINC001669040636 1174882567 /nfs/dbraw/zinc/88/25/67/1174882567.db2.gz YLULJLYCRXGQQP-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001689338887 1176831942 /nfs/dbraw/zinc/83/19/42/1176831942.db2.gz FZIIZUZHEFVQQJ-MPNWYJEXSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001689338887 1176831954 /nfs/dbraw/zinc/83/19/54/1176831954.db2.gz FZIIZUZHEFVQQJ-MPNWYJEXSA-N 1 3 322.453 0.213 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690658627 1177297926 /nfs/dbraw/zinc/29/79/26/1177297926.db2.gz ZVYMFKMKFZPPFV-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)C1 ZINC001690909255 1177346869 /nfs/dbraw/zinc/34/68/69/1177346869.db2.gz BYNRRMHKIXPLHF-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)C1 ZINC001690909255 1177346877 /nfs/dbraw/zinc/34/68/77/1177346877.db2.gz BYNRRMHKIXPLHF-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001690909255 1177346886 /nfs/dbraw/zinc/34/68/86/1177346886.db2.gz BYNRRMHKIXPLHF-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001690909255 1177346889 /nfs/dbraw/zinc/34/68/89/1177346889.db2.gz BYNRRMHKIXPLHF-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCn1cc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001698840820 1177689231 /nfs/dbraw/zinc/68/92/31/1177689231.db2.gz NASOAWBUSVRRPX-ZBFHGGJFSA-N 1 3 321.469 0.976 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001699280880 1178023443 /nfs/dbraw/zinc/02/34/43/1178023443.db2.gz ZTNZKJLIPXUTMV-LUNKNMTDSA-N 1 3 324.469 0.503 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001699280880 1178023452 /nfs/dbraw/zinc/02/34/52/1178023452.db2.gz ZTNZKJLIPXUTMV-LUNKNMTDSA-N 1 3 324.469 0.503 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001699345915 1178089934 /nfs/dbraw/zinc/08/99/34/1178089934.db2.gz RJCVSWVWJNIRJD-ZYDHHDLOSA-N 1 3 322.453 0.401 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001699345915 1178089945 /nfs/dbraw/zinc/08/99/45/1178089945.db2.gz RJCVSWVWJNIRJD-ZYDHHDLOSA-N 1 3 322.453 0.401 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC/C=C\Cl)C1 ZINC001700042423 1178456273 /nfs/dbraw/zinc/45/62/73/1178456273.db2.gz QCUXMTBRBGPCKS-QDOCKXBDSA-N 1 3 303.834 0.491 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC/C=C\Cl)C1 ZINC001700042423 1178456274 /nfs/dbraw/zinc/45/62/74/1178456274.db2.gz QCUXMTBRBGPCKS-QDOCKXBDSA-N 1 3 303.834 0.491 20 0 DCADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCCF)CC1)N(C)C ZINC001700308284 1178575141 /nfs/dbraw/zinc/57/51/41/1178575141.db2.gz VWOXKBJTQYINNQ-CYBMUJFWSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCOCC(F)F)CN1C(=O)CN1CCCC1 ZINC001700854761 1178778442 /nfs/dbraw/zinc/77/84/42/1178778442.db2.gz UPQWZMUVGCIAAS-STQMWFEESA-N 1 3 319.396 0.943 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)CN1CCCC1)[NH+](C)C ZINC001705042902 1180239502 /nfs/dbraw/zinc/23/95/02/1180239502.db2.gz UEWRDVSUDNRFPC-JFDDCEBESA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(N)=O)N(CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707452678 1180518014 /nfs/dbraw/zinc/51/80/14/1180518014.db2.gz UWVCXCBRGNWTKS-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(N)=O)N(CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001707452678 1180518019 /nfs/dbraw/zinc/51/80/19/1180518019.db2.gz UWVCXCBRGNWTKS-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001712950514 1180579927 /nfs/dbraw/zinc/57/99/27/1180579927.db2.gz LHWBDBHBHAGHQR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001712950514 1180579930 /nfs/dbraw/zinc/57/99/30/1180579930.db2.gz LHWBDBHBHAGHQR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001713364168 1180786542 /nfs/dbraw/zinc/78/65/42/1180786542.db2.gz JKIQBIUGFDVZNR-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001713634342 1180981646 /nfs/dbraw/zinc/98/16/46/1180981646.db2.gz PVSYKGAHUUBZDJ-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001714016731 1181203194 /nfs/dbraw/zinc/20/31/94/1181203194.db2.gz YWKLNKYFTYRWES-BETUJISGSA-N 1 3 308.430 0.284 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001714562863 1181418731 /nfs/dbraw/zinc/41/87/31/1181418731.db2.gz MSKHTFTXOBRFAX-DZGCQCFKSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN(C)C1CCC1 ZINC001714657014 1181464370 /nfs/dbraw/zinc/46/43/70/1181464370.db2.gz OMFBDXSMFGYMIY-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001714747658 1181521802 /nfs/dbraw/zinc/52/18/02/1181521802.db2.gz FXDNCTGMKZVMOF-CQSZACIVSA-N 1 3 324.473 0.693 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)N2CCCCC2)C1 ZINC001714755552 1181526330 /nfs/dbraw/zinc/52/63/30/1181526330.db2.gz LJZMKNDAVZUGBD-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)N2CCCCC2)C1 ZINC001714755552 1181526333 /nfs/dbraw/zinc/52/63/33/1181526333.db2.gz LJZMKNDAVZUGBD-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CCO)cc2)C1 ZINC001715196200 1181712618 /nfs/dbraw/zinc/71/26/18/1181712618.db2.gz ISUZGTVXTXEANE-CQSZACIVSA-N 1 3 305.422 0.727 20 0 DCADHO CC(C)NC(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001715369003 1181791062 /nfs/dbraw/zinc/79/10/62/1181791062.db2.gz MYCRHHFOIDPBMV-LBPRGKRZSA-N 1 3 324.429 0.096 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)CNC/C=C/Cl)C1 ZINC001715598826 1181886303 /nfs/dbraw/zinc/88/63/03/1181886303.db2.gz LAADPKMPLSUGMT-CNPQOGTOSA-N 1 3 317.861 0.928 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNC/C=C/Cl)C1 ZINC001715598826 1181886308 /nfs/dbraw/zinc/88/63/08/1181886308.db2.gz LAADPKMPLSUGMT-CNPQOGTOSA-N 1 3 317.861 0.928 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001715977761 1182128348 /nfs/dbraw/zinc/12/83/48/1182128348.db2.gz DWDAUANACKAFDG-HOCLYGCPSA-N 1 3 321.469 0.931 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCN(C)C1=O ZINC001716380002 1182366453 /nfs/dbraw/zinc/36/64/53/1182366453.db2.gz WSOMYJLIOIAVPS-RWCKICOTSA-N 1 3 322.453 0.354 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCN(C)C1=O ZINC001716380002 1182366455 /nfs/dbraw/zinc/36/64/55/1182366455.db2.gz WSOMYJLIOIAVPS-RWCKICOTSA-N 1 3 322.453 0.354 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001716767010 1182518386 /nfs/dbraw/zinc/51/83/86/1182518386.db2.gz GOLNKASWWGQASP-ZIAGYGMSSA-N 1 3 324.425 0.584 20 0 DCADHO CN(CCOCCNCCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001718007604 1183104230 /nfs/dbraw/zinc/10/42/30/1183104230.db2.gz CPRAAXSWEDDNPO-AWEZNQCLSA-N 1 3 301.406 0.362 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC001723948913 1184364694 /nfs/dbraw/zinc/36/46/94/1184364694.db2.gz DVWVBWMOFALWEK-HIFRSBDPSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)=CC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724400378 1184429604 /nfs/dbraw/zinc/42/96/04/1184429604.db2.gz XRWZFQHJYILMIE-QGZVFWFLSA-N 1 3 309.454 0.990 20 0 DCADHO CC(C)=CC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724400378 1184429605 /nfs/dbraw/zinc/42/96/05/1184429605.db2.gz XRWZFQHJYILMIE-QGZVFWFLSA-N 1 3 309.454 0.990 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCCNC1=O ZINC001731316524 1185261119 /nfs/dbraw/zinc/26/11/19/1185261119.db2.gz BNEZEQNSXMIMSA-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCCNC1=O ZINC001731316524 1185261123 /nfs/dbraw/zinc/26/11/23/1185261123.db2.gz BNEZEQNSXMIMSA-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001732008489 1185632662 /nfs/dbraw/zinc/63/26/62/1185632662.db2.gz NDWRUZGGMNEFCA-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCn1cccn1 ZINC001732359777 1185779634 /nfs/dbraw/zinc/77/96/34/1185779634.db2.gz FIBOYALNTWIIFT-LSDHHAIUSA-N 1 3 307.442 0.567 20 0 DCADHO COc1cc(CNCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)on1 ZINC001732748569 1185948219 /nfs/dbraw/zinc/94/82/19/1185948219.db2.gz YMOPLJYWFNARAO-LBPRGKRZSA-N 1 3 322.409 0.763 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CN[C@H](C)C(=O)NC)C1 ZINC001732893165 1186041693 /nfs/dbraw/zinc/04/16/93/1186041693.db2.gz UGSPTKDENDMQOD-MUHKLVGJSA-N 1 3 324.469 0.505 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CN[C@H](C)C(=O)NC)C1 ZINC001732893165 1186041696 /nfs/dbraw/zinc/04/16/96/1186041696.db2.gz UGSPTKDENDMQOD-MUHKLVGJSA-N 1 3 324.469 0.505 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCn2cncn2)CCC1 ZINC001733106738 1186141674 /nfs/dbraw/zinc/14/16/74/1186141674.db2.gz RXADYKHLTKWMTC-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCCC1)C(=O)CN1CCCC1 ZINC001733144192 1186161510 /nfs/dbraw/zinc/16/15/10/1186161510.db2.gz RWNYOADIILAANL-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCOCC2CC2)C1 ZINC001752679647 1188433204 /nfs/dbraw/zinc/43/32/04/1188433204.db2.gz BDCDZJLUTQTXEP-HDJSIYSDSA-N 1 3 306.410 0.924 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753190662 1188529246 /nfs/dbraw/zinc/52/92/46/1188529246.db2.gz NVWUVFXLACUBKD-HNNXBMFYSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCNC1=O)C(=O)CN(C)C1CCC1 ZINC001754375396 1188837072 /nfs/dbraw/zinc/83/70/72/1188837072.db2.gz BBECGKJSTJPJAY-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001754396749 1188843988 /nfs/dbraw/zinc/84/39/88/1188843988.db2.gz ZVTDQTYRLDEBFX-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCn2cccn2)C1 ZINC001754824507 1188942525 /nfs/dbraw/zinc/94/25/25/1188942525.db2.gz CBAYABMJWAHABV-JKSUJKDBSA-N 1 3 321.469 0.909 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC001755008707 1188994981 /nfs/dbraw/zinc/99/49/81/1188994981.db2.gz CEYAMCNYPUVTHJ-GJZGRUSLSA-N 1 3 322.409 0.338 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001757994705 1189667807 /nfs/dbraw/zinc/66/78/07/1189667807.db2.gz SQUPLWNMJUAMCA-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001757994705 1189667809 /nfs/dbraw/zinc/66/78/09/1189667809.db2.gz SQUPLWNMJUAMCA-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OCC(N)=O ZINC001771912045 1190551519 /nfs/dbraw/zinc/55/15/19/1190551519.db2.gz XDTACZDUXCKRAK-OLZOCXBDSA-N 1 3 307.394 0.919 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001772065270 1190602561 /nfs/dbraw/zinc/60/25/61/1190602561.db2.gz JRJVQKYOMMBEEV-UKRRQHHQSA-N 1 3 309.458 0.016 20 0 DCADHO O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001772315349 1190661249 /nfs/dbraw/zinc/66/12/49/1190661249.db2.gz GDVKZICHKAMIMW-JKSUJKDBSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)O[C@@]1(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCOC1 ZINC001575749491 1164133762 /nfs/dbraw/zinc/13/37/62/1164133762.db2.gz GNCYRFJCJCLKDX-GDBMZVCRSA-N 1 3 313.442 0.357 20 0 DCADHO OC[C@]12C[NH2+]C[C@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164402083 718853047 /nfs/dbraw/zinc/85/30/47/718853047.db2.gz DTCVFMMLCPJEDR-DOTOQJQBSA-N 1 3 302.422 0.696 20 0 DCADHO CN(Cc1ccc(N2C[C@H]3C[NH2+]C[C@]3(CO)C2)nc1)C1CC1 ZINC001164401605 718853663 /nfs/dbraw/zinc/85/36/63/718853663.db2.gz CJJHHSMDYLGDCP-RHSMWYFYSA-N 1 3 302.422 0.694 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@@H]2CC[NH2+]2)CC1 ZINC001577778373 1164790671 /nfs/dbraw/zinc/79/06/71/1164790671.db2.gz WFILTUMCGBBEPL-GJZGRUSLSA-N 1 3 311.474 0.263 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)s1 ZINC001127475091 751412320 /nfs/dbraw/zinc/41/23/20/751412320.db2.gz QHNPKXWGWOVEDW-AWEZNQCLSA-N 1 3 308.451 0.999 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(C)(C)C ZINC001127659987 751609870 /nfs/dbraw/zinc/60/98/70/751609870.db2.gz QKJHMKKDKILIBR-JHJVBQTASA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(C)(C)C ZINC001127659987 751609873 /nfs/dbraw/zinc/60/98/73/751609873.db2.gz QKJHMKKDKILIBR-JHJVBQTASA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127689904 751637541 /nfs/dbraw/zinc/63/75/41/751637541.db2.gz BDQGGGBWOIDAAU-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127689904 751637545 /nfs/dbraw/zinc/63/75/45/751637545.db2.gz BDQGGGBWOIDAAU-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001107036505 751782450 /nfs/dbraw/zinc/78/24/50/751782450.db2.gz MVXHCONESBOHPY-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042533 751787352 /nfs/dbraw/zinc/78/73/52/751787352.db2.gz QMMPOULHAZOKNY-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO COC1CCN(CCNC(=O)C[C@@H]([NH3+])CCSC)CC1 ZINC001578940428 1165163241 /nfs/dbraw/zinc/16/32/41/1165163241.db2.gz FXCGZUJUUHXNSD-LBPRGKRZSA-N 1 3 303.472 0.684 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]Cc3cnnn3C)C2)CCC1 ZINC001100405527 746939307 /nfs/dbraw/zinc/93/93/07/746939307.db2.gz AAFBKZDDXCPPNC-UHFFFAOYSA-N 1 3 320.441 0.284 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001206928879 747038138 /nfs/dbraw/zinc/03/81/38/747038138.db2.gz MFANGDRBBHLQMA-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001100443739 747052939 /nfs/dbraw/zinc/05/29/39/747052939.db2.gz XUEJVZYYQPPDFL-UYSNPLJNSA-N 1 3 321.469 0.787 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098561154 747339979 /nfs/dbraw/zinc/33/99/79/747339979.db2.gz UTSKFWUAUOYAEE-ZDUSSCGKSA-N 1 3 301.406 0.193 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098561154 747339986 /nfs/dbraw/zinc/33/99/86/747339986.db2.gz UTSKFWUAUOYAEE-ZDUSSCGKSA-N 1 3 301.406 0.193 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CCO ZINC001104832502 747950634 /nfs/dbraw/zinc/95/06/34/747950634.db2.gz DNDQPHXNDBYVOV-HZPDHXFCSA-N 1 3 311.470 0.785 20 0 DCADHO CCCC(C[NH3+])(CCC)NC(=O)[C@H](N)CCCNC(N)=O ZINC001221372798 747977513 /nfs/dbraw/zinc/97/75/13/747977513.db2.gz SSVLOTLYMSDDBS-LLVKDONJSA-N 1 3 301.435 0.176 20 0 DCADHO Cc1cccc(CN2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083368841 748650028 /nfs/dbraw/zinc/65/00/28/748650028.db2.gz YMGHMYGOXSCARZ-IKGGRYGDSA-N 1 3 317.433 0.751 20 0 DCADHO Cc1cccc(CN2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083368841 748650030 /nfs/dbraw/zinc/65/00/30/748650030.db2.gz YMGHMYGOXSCARZ-IKGGRYGDSA-N 1 3 317.433 0.751 20 0 DCADHO COCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536180 748875788 /nfs/dbraw/zinc/87/57/88/748875788.db2.gz VCGBWAVZECGLEK-BBRMVZONSA-N 1 3 306.410 0.817 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CCO ZINC001087671649 749016175 /nfs/dbraw/zinc/01/61/75/749016175.db2.gz JAVJVHXWAUGGQG-XHSDSOJGSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CCO ZINC001087671649 749016179 /nfs/dbraw/zinc/01/61/79/749016179.db2.gz JAVJVHXWAUGGQG-XHSDSOJGSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1CCO ZINC001087671649 749016182 /nfs/dbraw/zinc/01/61/82/749016182.db2.gz JAVJVHXWAUGGQG-XHSDSOJGSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086558539 761921336 /nfs/dbraw/zinc/92/13/36/761921336.db2.gz ZRRVMIPISYLKDU-MQMHXKEQSA-N 1 3 318.421 0.332 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994758 749180429 /nfs/dbraw/zinc/18/04/29/749180429.db2.gz APTOERDMYPWUOR-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994758 749180434 /nfs/dbraw/zinc/18/04/34/749180434.db2.gz APTOERDMYPWUOR-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO C[NH+](C)CCC(=O)NCC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059677489 749458989 /nfs/dbraw/zinc/45/89/89/749458989.db2.gz ARMNUGMMGDEFQI-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001168335689 749922242 /nfs/dbraw/zinc/92/22/42/749922242.db2.gz QFLXKJRYUZIHBU-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168359940 749979954 /nfs/dbraw/zinc/97/99/54/749979954.db2.gz INTNXMUXKGBHFL-OAHLLOKOSA-N 1 3 315.483 0.874 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCn2cccn2)C1 ZINC001101036243 749980728 /nfs/dbraw/zinc/98/07/28/749980728.db2.gz LLNGMPRGHCOQKU-UHFFFAOYSA-N 1 3 307.442 0.708 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077218934 750274861 /nfs/dbraw/zinc/27/48/61/750274861.db2.gz AYLICTVWKYJFFS-HUUCEWRRSA-N 1 3 307.438 0.434 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cn1 ZINC001127254560 750928384 /nfs/dbraw/zinc/92/83/84/750928384.db2.gz GAHDADDYVBGPQF-CABCVRRESA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cn1 ZINC001127254560 750928386 /nfs/dbraw/zinc/92/83/86/750928386.db2.gz GAHDADDYVBGPQF-CABCVRRESA-N 1 3 305.426 0.500 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)NCC1CC1 ZINC001127254402 750928607 /nfs/dbraw/zinc/92/86/07/750928607.db2.gz FCKHLPAVXRIARV-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)NCC1CC1 ZINC001127254402 750928610 /nfs/dbraw/zinc/92/86/10/750928610.db2.gz FCKHLPAVXRIARV-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001106256007 751068181 /nfs/dbraw/zinc/06/81/81/751068181.db2.gz TYWGZCFQFPERLL-UMVBOHGHSA-N 1 3 324.469 0.419 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127338714 751144074 /nfs/dbraw/zinc/14/40/74/751144074.db2.gz HDJQBTBOQDMUFS-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127338714 751144076 /nfs/dbraw/zinc/14/40/76/751144076.db2.gz HDJQBTBOQDMUFS-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357394 751196490 /nfs/dbraw/zinc/19/64/90/751196490.db2.gz WCOLYNQZJMQVOT-HIFRSBDPSA-N 1 3 322.453 0.235 20 0 DCADHO O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357394 751196492 /nfs/dbraw/zinc/19/64/92/751196492.db2.gz WCOLYNQZJMQVOT-HIFRSBDPSA-N 1 3 322.453 0.235 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666877 751221704 /nfs/dbraw/zinc/22/17/04/751221704.db2.gz YAADOHDWMZIIKN-RBSFLKMASA-N 1 3 324.469 0.148 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1 ZINC001106779788 751274930 /nfs/dbraw/zinc/27/49/30/751274930.db2.gz WGDFKONBZMSPSO-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106784289 751277317 /nfs/dbraw/zinc/27/73/17/751277317.db2.gz FWQNPGWVSGJAQU-HUUCEWRRSA-N 1 3 322.457 0.304 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838821 752794273 /nfs/dbraw/zinc/79/42/73/752794273.db2.gz PHWSVHJMWFBUSP-HZPDHXFCSA-N 1 3 305.422 0.933 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044755650 752859976 /nfs/dbraw/zinc/85/99/76/752859976.db2.gz NNOCMCHODAELCV-QWHCGFSZSA-N 1 3 317.397 0.213 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C)N(C)C ZINC001078084076 753027610 /nfs/dbraw/zinc/02/76/10/753027610.db2.gz ZHBVFROJBMCZFJ-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)CC1 ZINC001045228120 753100527 /nfs/dbraw/zinc/10/05/27/753100527.db2.gz PUBPUXMXCJCLAL-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001046038078 753441987 /nfs/dbraw/zinc/44/19/87/753441987.db2.gz HCYMLOCKBYEWJJ-HZPDHXFCSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001046038078 753441990 /nfs/dbraw/zinc/44/19/90/753441990.db2.gz HCYMLOCKBYEWJJ-HZPDHXFCSA-N 1 3 310.486 0.954 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001046064169 753456931 /nfs/dbraw/zinc/45/69/31/753456931.db2.gz HDBZGZLWBMBHPF-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001046064169 753456939 /nfs/dbraw/zinc/45/69/39/753456939.db2.gz HDBZGZLWBMBHPF-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H](O)CN1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046694203 753877648 /nfs/dbraw/zinc/87/76/48/753877648.db2.gz FFRSDIQVNGBVBV-CZUORRHYSA-N 1 3 323.441 0.020 20 0 DCADHO C[C@@]1(C[NH2+][C@H]2CCCNC2=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001046903469 754011610 /nfs/dbraw/zinc/01/16/10/754011610.db2.gz QUPBDAXMRORMLD-BBRMVZONSA-N 1 3 319.409 0.059 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C(C)C ZINC001128773791 754269564 /nfs/dbraw/zinc/26/95/64/754269564.db2.gz DVBLLRKXUFIJSR-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C(C)C ZINC001128773791 754269569 /nfs/dbraw/zinc/26/95/69/754269569.db2.gz DVBLLRKXUFIJSR-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001128773525 754270393 /nfs/dbraw/zinc/27/03/93/754270393.db2.gz ANEMRDUXACOUID-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001128773525 754270397 /nfs/dbraw/zinc/27/03/97/754270397.db2.gz ANEMRDUXACOUID-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001168756108 754433450 /nfs/dbraw/zinc/43/34/50/754433450.db2.gz UWZIKLNJQCKTAS-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO COc1ccc(CN2CC[NH+](C)CC2)cc1-n1cnc(CN)n1 ZINC001168756655 754449417 /nfs/dbraw/zinc/44/94/17/754449417.db2.gz IUDJAGACNMDSBA-UHFFFAOYSA-N 1 3 316.409 0.482 20 0 DCADHO C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063712 754597906 /nfs/dbraw/zinc/59/79/06/754597906.db2.gz FODCWXHNIGFHNW-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001048875536 754991327 /nfs/dbraw/zinc/99/13/27/754991327.db2.gz BEOKVNBGEKWFLS-XQLPTFJDSA-N 1 3 324.469 0.097 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049057306 755095201 /nfs/dbraw/zinc/09/52/01/755095201.db2.gz DKAHWJSPPINSJJ-FPCVCCKLSA-N 1 3 309.454 0.753 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049057306 755095207 /nfs/dbraw/zinc/09/52/07/755095207.db2.gz DKAHWJSPPINSJJ-FPCVCCKLSA-N 1 3 309.454 0.753 20 0 DCADHO CC[C@H](C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1)OC ZINC001049083397 755107494 /nfs/dbraw/zinc/10/74/94/755107494.db2.gz BLABNUQTMQKPLW-VNHYZAJKSA-N 1 3 306.410 0.767 20 0 DCADHO CC[C@H](C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1)OC ZINC001049083397 755107497 /nfs/dbraw/zinc/10/74/97/755107497.db2.gz BLABNUQTMQKPLW-VNHYZAJKSA-N 1 3 306.410 0.767 20 0 DCADHO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)CN4CCCC4)C[C@H]3C2)cn1 ZINC001049215499 755186553 /nfs/dbraw/zinc/18/65/53/755186553.db2.gz XKEXHRSRUFJNNW-IYBDPMFKSA-N 1 3 317.437 0.406 20 0 DCADHO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)CN4CCCC4)C[C@H]3C2)cn1 ZINC001049215499 755186556 /nfs/dbraw/zinc/18/65/56/755186556.db2.gz XKEXHRSRUFJNNW-IYBDPMFKSA-N 1 3 317.437 0.406 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1)N(C)C ZINC001064364909 755388320 /nfs/dbraw/zinc/38/83/20/755388320.db2.gz LERONKSORPBWDR-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001168764026 755421182 /nfs/dbraw/zinc/42/11/82/755421182.db2.gz WMQWFZRLIMPZRK-CQSZACIVSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680921 755777553 /nfs/dbraw/zinc/77/75/53/755777553.db2.gz YIIOLPHUNFFPKK-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079818065 756007762 /nfs/dbraw/zinc/00/77/62/756007762.db2.gz ZHDUBGZNJMYTBZ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079818065 756007770 /nfs/dbraw/zinc/00/77/70/756007770.db2.gz ZHDUBGZNJMYTBZ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C[C@H]1C ZINC001118515465 756228578 /nfs/dbraw/zinc/22/85/78/756228578.db2.gz PLEFHWSBEKBBGF-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C[C@H]1C ZINC001118515465 756228583 /nfs/dbraw/zinc/22/85/83/756228583.db2.gz PLEFHWSBEKBBGF-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080558129 756246187 /nfs/dbraw/zinc/24/61/87/756246187.db2.gz NCGYZDBBSUAUKZ-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC001054735055 756621101 /nfs/dbraw/zinc/62/11/01/756621101.db2.gz HHXQVBRAYATCHC-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001054738331 756621779 /nfs/dbraw/zinc/62/17/79/756621779.db2.gz OZJSKAJGLVSCKZ-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001082575494 757193892 /nfs/dbraw/zinc/19/38/92/757193892.db2.gz IZBZXEGHQUCUEE-KFWWJZLASA-N 1 3 322.457 0.301 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082742058 757253972 /nfs/dbraw/zinc/25/39/72/757253972.db2.gz PLCOPPVBHFSCCY-SQWLQELKSA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001082822687 757288555 /nfs/dbraw/zinc/28/85/55/757288555.db2.gz VZMNQEOYKMLUEK-QLFBSQMISA-N 1 3 324.469 0.419 20 0 DCADHO CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099745 757363863 /nfs/dbraw/zinc/36/38/63/757363863.db2.gz JTDIFFDYSOVEHL-SYGRHNPNSA-N 1 3 319.449 0.792 20 0 DCADHO CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099745 757363874 /nfs/dbraw/zinc/36/38/74/757363874.db2.gz JTDIFFDYSOVEHL-SYGRHNPNSA-N 1 3 319.449 0.792 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084422402 757823127 /nfs/dbraw/zinc/82/31/27/757823127.db2.gz XPIVJYQESRKALJ-BZUAXINKSA-N 1 3 309.454 0.776 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084422402 757823136 /nfs/dbraw/zinc/82/31/36/757823136.db2.gz XPIVJYQESRKALJ-BZUAXINKSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CC(CNc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)C1 ZINC001170254772 762591902 /nfs/dbraw/zinc/59/19/02/762591902.db2.gz RNTUWIQARXGOOG-OAHLLOKOSA-N 1 3 300.406 0.811 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050774573 758046769 /nfs/dbraw/zinc/04/67/69/758046769.db2.gz ZYUIHTQIQIRCRI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1)N(C)C ZINC001085025040 758172287 /nfs/dbraw/zinc/17/22/87/758172287.db2.gz YPEREOJUPQZXHK-OWCLPIDISA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1)N(C)C ZINC001085025040 758172294 /nfs/dbraw/zinc/17/22/94/758172294.db2.gz YPEREOJUPQZXHK-OWCLPIDISA-N 1 3 311.470 0.878 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701694 759213864 /nfs/dbraw/zinc/21/38/64/759213864.db2.gz WBZWHPOAOUDWJA-TZMCWYRMSA-N 1 3 302.378 0.861 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701694 759213873 /nfs/dbraw/zinc/21/38/73/759213873.db2.gz WBZWHPOAOUDWJA-TZMCWYRMSA-N 1 3 302.378 0.861 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086084272 759694139 /nfs/dbraw/zinc/69/41/39/759694139.db2.gz KJRNIZQBYINGKG-IGQOVBAYSA-N 1 3 310.442 0.217 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086084271 759694632 /nfs/dbraw/zinc/69/46/32/759694632.db2.gz KJRNIZQBYINGKG-FQUUOJAGSA-N 1 3 310.442 0.217 20 0 DCADHO CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086151318 759768390 /nfs/dbraw/zinc/76/83/90/759768390.db2.gz WACNCIPIYVZXEZ-LQCZDEPNSA-N 1 3 307.438 0.744 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000067 767893790 /nfs/dbraw/zinc/89/37/90/767893790.db2.gz JQKNMOPSYHCCOW-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086216874 759857239 /nfs/dbraw/zinc/85/72/39/759857239.db2.gz DQRJWTFLHJKCGD-HZSPNIEDSA-N 1 3 310.442 0.219 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086278469 759945062 /nfs/dbraw/zinc/94/50/62/759945062.db2.gz XWKOQAXAWSRVPH-YIYPIFLZSA-N 1 3 310.442 0.219 20 0 DCADHO COCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098449966 760299680 /nfs/dbraw/zinc/29/96/80/760299680.db2.gz XGLPSSOMQRJWGV-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO COCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098449966 760299683 /nfs/dbraw/zinc/29/96/83/760299683.db2.gz XGLPSSOMQRJWGV-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCOCCOCCOCCO)C2 ZINC001169090861 760583200 /nfs/dbraw/zinc/58/32/00/760583200.db2.gz MJTFYSXGTFCJOH-PHZGNYQRSA-N 1 3 316.442 0.243 20 0 DCADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCOCCOCCOCCO)C2 ZINC001169090861 760583206 /nfs/dbraw/zinc/58/32/06/760583206.db2.gz MJTFYSXGTFCJOH-PHZGNYQRSA-N 1 3 316.442 0.243 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@H](N(C1CC[NH2+]CC1)S(C)(=O)=O)C2 ZINC001169125567 760586962 /nfs/dbraw/zinc/58/69/62/760586962.db2.gz IYQBEKIJGWONQT-BTTYYORXSA-N 1 3 301.456 0.625 20 0 DCADHO CN(C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CC1)S(C)(=O)=O ZINC001169146075 760595952 /nfs/dbraw/zinc/59/59/52/760595952.db2.gz OIWGIKKDHCOOEB-QDMKHBRRSA-N 1 3 315.483 0.967 20 0 DCADHO CCOC(=O)[C@H]1CC[C@H](N2CCN(CCCC[NH3+])CC2)CO1 ZINC001169373068 760658004 /nfs/dbraw/zinc/65/80/04/760658004.db2.gz NWVYYWSOUNAUMD-LSDHHAIUSA-N 1 3 313.442 0.454 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360007 767972284 /nfs/dbraw/zinc/97/22/84/767972284.db2.gz JYEWUIMKSPNKRR-UHFFFAOYSA-N 1 3 300.447 0.293 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)CCC1 ZINC001129351085 760939032 /nfs/dbraw/zinc/93/90/32/760939032.db2.gz KEBHUONBUKLABZ-UHFFFAOYSA-N 1 3 306.410 0.075 20 0 DCADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069902679 760949995 /nfs/dbraw/zinc/94/99/95/760949995.db2.gz JVGLSOQKRFFWAT-MCIONIFRSA-N 1 3 324.404 0.073 20 0 DCADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069902679 760949999 /nfs/dbraw/zinc/94/99/99/760949999.db2.gz JVGLSOQKRFFWAT-MCIONIFRSA-N 1 3 324.404 0.073 20 0 DCADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001069902679 760950003 /nfs/dbraw/zinc/95/00/03/760950003.db2.gz JVGLSOQKRFFWAT-MCIONIFRSA-N 1 3 324.404 0.073 20 0 DCADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001069902679 760950008 /nfs/dbraw/zinc/95/00/08/760950008.db2.gz JVGLSOQKRFFWAT-MCIONIFRSA-N 1 3 324.404 0.073 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCCCCn2cncn2)CCC1 ZINC001129364841 761055451 /nfs/dbraw/zinc/05/54/51/761055451.db2.gz ZWTSTTOWIDYJFZ-UHFFFAOYSA-N 1 3 322.457 0.639 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275451 761160314 /nfs/dbraw/zinc/16/03/14/761160314.db2.gz NGQHVDWLMJGALY-ZNMIVQPWSA-N 1 3 320.441 0.370 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CCC ZINC001148579008 768020627 /nfs/dbraw/zinc/02/06/27/768020627.db2.gz ZGTXEIGRZHLNRS-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CCC ZINC001148579008 768020628 /nfs/dbraw/zinc/02/06/28/768020628.db2.gz ZGTXEIGRZHLNRS-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC001148655207 768024385 /nfs/dbraw/zinc/02/43/85/768024385.db2.gz JUAWXPVGKTVUKO-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001148656107 768025366 /nfs/dbraw/zinc/02/53/66/768025366.db2.gz VKQJBMPLJLGLBC-OAHLLOKOSA-N 1 3 311.401 0.907 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC001148638807 768027600 /nfs/dbraw/zinc/02/76/00/768027600.db2.gz SOIFHSDIXJDFMX-UHFFFAOYSA-N 1 3 318.425 0.516 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001070629668 761361772 /nfs/dbraw/zinc/36/17/72/761361772.db2.gz QTUQBTZLYQBIOF-MCIONIFRSA-N 1 3 305.426 0.418 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001070767853 761438837 /nfs/dbraw/zinc/43/88/37/761438837.db2.gz PAJAFOKJPREGJL-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070767617 761439004 /nfs/dbraw/zinc/43/90/04/761439004.db2.gz FRYBVYCXLQMUNV-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070767617 761439005 /nfs/dbraw/zinc/43/90/05/761439005.db2.gz FRYBVYCXLQMUNV-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653753 761495947 /nfs/dbraw/zinc/49/59/47/761495947.db2.gz FURSIHKNZADAGD-KBXIAJHMSA-N 1 3 313.442 0.057 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001071343647 761788107 /nfs/dbraw/zinc/78/81/07/761788107.db2.gz BQIVTGMWEWJTMU-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001086551482 761827729 /nfs/dbraw/zinc/82/77/29/761827729.db2.gz BULRFIGOTAXVGG-APIJFGDWSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001086551482 761827737 /nfs/dbraw/zinc/82/77/37/761827737.db2.gz BULRFIGOTAXVGG-APIJFGDWSA-N 1 3 317.437 0.974 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086551932 761841877 /nfs/dbraw/zinc/84/18/77/761841877.db2.gz QILNAZTXOBJPPQ-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086551932 761841887 /nfs/dbraw/zinc/84/18/87/761841887.db2.gz QILNAZTXOBJPPQ-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435648 762942830 /nfs/dbraw/zinc/94/28/30/762942830.db2.gz IGUMOZBOWXEETR-BBRMVZONSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1O)C1CCC1 ZINC001099880192 763095769 /nfs/dbraw/zinc/09/57/69/763095769.db2.gz WOKISDRBHSITRP-CVEARBPZSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O)C1CCC1 ZINC001099880192 763095773 /nfs/dbraw/zinc/09/57/73/763095773.db2.gz WOKISDRBHSITRP-CVEARBPZSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O)C1CCC1 ZINC001099880194 763096075 /nfs/dbraw/zinc/09/60/75/763096075.db2.gz WOKISDRBHSITRP-HZPDHXFCSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1O)C1CCC1 ZINC001099880194 763096083 /nfs/dbraw/zinc/09/60/83/763096083.db2.gz WOKISDRBHSITRP-HZPDHXFCSA-N 1 3 309.454 0.822 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cn1 ZINC001130187454 763165725 /nfs/dbraw/zinc/16/57/25/763165725.db2.gz VFWVIXIUBKTAST-LSDHHAIUSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cn1 ZINC001130187454 763165727 /nfs/dbraw/zinc/16/57/27/763165727.db2.gz VFWVIXIUBKTAST-LSDHHAIUSA-N 1 3 305.426 0.643 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157945168 763259306 /nfs/dbraw/zinc/25/93/06/763259306.db2.gz KNELNEGFCNSQOB-SQWLQELKSA-N 1 3 315.458 0.074 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCCOC)C[C@@H]1O ZINC001100085917 763294844 /nfs/dbraw/zinc/29/48/44/763294844.db2.gz STJFVFVNEDUAEP-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCCOC)C[C@@H]1O ZINC001100085917 763294853 /nfs/dbraw/zinc/29/48/53/763294853.db2.gz STJFVFVNEDUAEP-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC1CCCC1 ZINC001130421927 763296917 /nfs/dbraw/zinc/29/69/17/763296917.db2.gz PADVUXPENKWTEF-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC1CCCC1 ZINC001130421927 763296923 /nfs/dbraw/zinc/29/69/23/763296923.db2.gz PADVUXPENKWTEF-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC1CCC1 ZINC001130419121 763304560 /nfs/dbraw/zinc/30/45/60/763304560.db2.gz LXKJSHAROLQICV-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC1CCC1 ZINC001130419121 763304569 /nfs/dbraw/zinc/30/45/69/763304569.db2.gz LXKJSHAROLQICV-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001100404588 763554807 /nfs/dbraw/zinc/55/48/07/763554807.db2.gz JNILEHMIUPZAGQ-NFOMZHRRSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001100678252 763719121 /nfs/dbraw/zinc/71/91/21/763719121.db2.gz DZZJDNJGDMUQTK-DNOWBOINSA-N 1 3 322.453 0.091 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2cnnn2CC)C1 ZINC001100769733 763775493 /nfs/dbraw/zinc/77/54/93/763775493.db2.gz YMGDRWCMJBBXAZ-UHFFFAOYSA-N 1 3 322.457 0.624 20 0 DCADHO CC(C)(C(=O)NCCNCC(=O)NCC1CCC1)[NH+]1CCCC1 ZINC001132280867 764350683 /nfs/dbraw/zinc/35/06/83/764350683.db2.gz WBEVLHQETCEXCO-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479032 764453173 /nfs/dbraw/zinc/45/31/73/764453173.db2.gz OXIXNUVORCKBBZ-DZGCQCFKSA-N 1 3 315.433 0.439 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479032 764453175 /nfs/dbraw/zinc/45/31/75/764453175.db2.gz OXIXNUVORCKBBZ-DZGCQCFKSA-N 1 3 315.433 0.439 20 0 DCADHO C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314343 764591147 /nfs/dbraw/zinc/59/11/47/764591147.db2.gz CIIFXDRVYMVXSW-ZIAGYGMSSA-N 1 3 307.442 0.556 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)c2cnccn2)C1 ZINC001132849018 764691125 /nfs/dbraw/zinc/69/11/25/764691125.db2.gz ZBYPOEMOHHKZFZ-DZGCQCFKSA-N 1 3 321.425 0.353 20 0 DCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578126 764709488 /nfs/dbraw/zinc/70/94/88/764709488.db2.gz MMJIFASTJAMKOE-QLFBSQMISA-N 1 3 324.469 0.101 20 0 DCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578126 764709492 /nfs/dbraw/zinc/70/94/92/764709492.db2.gz MMJIFASTJAMKOE-QLFBSQMISA-N 1 3 324.469 0.101 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102601946 764720927 /nfs/dbraw/zinc/72/09/27/764720927.db2.gz WXNVZGGXFVXEBW-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102601946 764720934 /nfs/dbraw/zinc/72/09/34/764720934.db2.gz WXNVZGGXFVXEBW-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135269 764840155 /nfs/dbraw/zinc/84/01/55/764840155.db2.gz OKQQULPHMAHHDR-CHWSQXEVSA-N 1 3 321.425 0.163 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285937 764905954 /nfs/dbraw/zinc/90/59/54/764905954.db2.gz PCXBYNDTNATBBF-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)c1cccc(CNCCNC(=O)CC[NH+](C)C)c1 ZINC001133290803 764908635 /nfs/dbraw/zinc/90/86/35/764908635.db2.gz CVJBHPVAXXSFRK-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO C[C@@H]1CCCC[C@@H]1NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290977 764908649 /nfs/dbraw/zinc/90/86/49/764908649.db2.gz GRIIQROYIYXJDP-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCCC1=CCCCC1 ZINC001133291638 764910436 /nfs/dbraw/zinc/91/04/36/764910436.db2.gz UJUKBPVOMLKFPG-UHFFFAOYSA-N 1 3 324.469 0.651 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103060528 764929182 /nfs/dbraw/zinc/92/91/82/764929182.db2.gz QXJHFQZRNAMCPL-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103060528 764929185 /nfs/dbraw/zinc/92/91/85/764929185.db2.gz QXJHFQZRNAMCPL-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001133419307 764957802 /nfs/dbraw/zinc/95/78/02/764957802.db2.gz MFVGBJHNDHNCEI-OAHLLOKOSA-N 1 3 309.458 0.792 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C ZINC001133419523 764957956 /nfs/dbraw/zinc/95/79/56/764957956.db2.gz QXAYYONBQRNLKK-DLBZAZTESA-N 1 3 321.465 0.882 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434513 764967919 /nfs/dbraw/zinc/96/79/19/764967919.db2.gz VJVIQKQKHBVEMD-UONOGXRCSA-N 1 3 314.474 0.535 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374927 765040760 /nfs/dbraw/zinc/04/07/60/765040760.db2.gz QRIRZBHLKDRHJD-ZIAGYGMSSA-N 1 3 324.469 0.148 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684318 765079708 /nfs/dbraw/zinc/07/97/08/765079708.db2.gz GYULWMPKKLDURT-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@@H](CC)[NH+](CC)CC)C(N)=O ZINC001133689967 765096055 /nfs/dbraw/zinc/09/60/55/765096055.db2.gz FRHRNUXMXRNIBB-UONOGXRCSA-N 1 3 314.474 0.857 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819554 765149666 /nfs/dbraw/zinc/14/96/66/765149666.db2.gz GPIJWGZRUXBLJM-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819554 765149667 /nfs/dbraw/zinc/14/96/67/765149667.db2.gz GPIJWGZRUXBLJM-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001133823647 765154396 /nfs/dbraw/zinc/15/43/96/765154396.db2.gz LDXVTWKDJGYJQE-RYUDHWBXSA-N 1 3 305.369 0.601 20 0 DCADHO COc1coc(CNCCNC(=O)C[N@@H+]2CCC[C@@H]2C)cc1=O ZINC001133834358 765165366 /nfs/dbraw/zinc/16/53/66/765165366.db2.gz VJUHOUIBWZRZJN-LBPRGKRZSA-N 1 3 323.393 0.339 20 0 DCADHO COc1coc(CNCCNC(=O)C[N@H+]2CCC[C@@H]2C)cc1=O ZINC001133834358 765165372 /nfs/dbraw/zinc/16/53/72/765165372.db2.gz VJUHOUIBWZRZJN-LBPRGKRZSA-N 1 3 323.393 0.339 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001133846281 765180560 /nfs/dbraw/zinc/18/05/60/765180560.db2.gz XQTFPLLWCRMIFO-CQSZACIVSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC001133849737 765181435 /nfs/dbraw/zinc/18/14/35/765181435.db2.gz CTMDEFUDIYITRQ-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC001133849737 765181439 /nfs/dbraw/zinc/18/14/39/765181439.db2.gz CTMDEFUDIYITRQ-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869803 765196343 /nfs/dbraw/zinc/19/63/43/765196343.db2.gz LPYIBZXNPNJDSQ-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869803 765196350 /nfs/dbraw/zinc/19/63/50/765196350.db2.gz LPYIBZXNPNJDSQ-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(CC)CC)N(C)C ZINC001133968042 765260513 /nfs/dbraw/zinc/26/05/13/765260513.db2.gz LQTKZJLBFZAOHA-OLZOCXBDSA-N 1 3 300.447 0.289 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001112401696 765525735 /nfs/dbraw/zinc/52/57/35/765525735.db2.gz SZBPFIBJGSVVGP-GUYCJALGSA-N 1 3 322.453 0.174 20 0 DCADHO COCCOCC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134763167 765659728 /nfs/dbraw/zinc/65/97/28/765659728.db2.gz OJPIWFKWNZLBHX-OAHLLOKOSA-N 1 3 315.458 0.618 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093803 765800533 /nfs/dbraw/zinc/80/05/33/765800533.db2.gz SGNJHZBKNYNYOF-HIFRSBDPSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093803 765800538 /nfs/dbraw/zinc/80/05/38/765800538.db2.gz SGNJHZBKNYNYOF-HIFRSBDPSA-N 1 3 305.426 0.643 20 0 DCADHO CC(C)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488078 765826060 /nfs/dbraw/zinc/82/60/60/765826060.db2.gz DQUXMYAYMKKQEM-UHFFFAOYSA-N 1 3 308.426 0.894 20 0 DCADHO CC(C)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488078 765826067 /nfs/dbraw/zinc/82/60/67/765826067.db2.gz DQUXMYAYMKKQEM-UHFFFAOYSA-N 1 3 308.426 0.894 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1cncn1C)C(C)C ZINC001135477498 765949955 /nfs/dbraw/zinc/94/99/55/765949955.db2.gz GKQHZUPOAGEEOC-OAHLLOKOSA-N 1 3 309.458 0.992 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC001135513155 765966011 /nfs/dbraw/zinc/96/60/11/765966011.db2.gz HPOSENOFYMMWJS-HNNXBMFYSA-N 1 3 323.437 0.474 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F ZINC001135513791 765967281 /nfs/dbraw/zinc/96/72/81/765967281.db2.gz YREABMUWIKFTCI-OAHLLOKOSA-N 1 3 311.401 0.907 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135691349 766050368 /nfs/dbraw/zinc/05/03/68/766050368.db2.gz SMCKYNMWXKICSF-ZIAGYGMSSA-N 1 3 314.474 0.857 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(CCCF)C[C@@H]2O)CC1 ZINC001090619917 766386618 /nfs/dbraw/zinc/38/66/18/766386618.db2.gz AYEIVCOMZPLYOC-CABCVRRESA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)=CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731551 766528474 /nfs/dbraw/zinc/52/84/74/766528474.db2.gz SPBAVFPIXUUDNN-CABCVRRESA-N 1 3 307.438 0.600 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC001119354154 766643711 /nfs/dbraw/zinc/64/37/11/766643711.db2.gz BFSRDJMIMLJUPC-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120423684 767005366 /nfs/dbraw/zinc/00/53/66/767005366.db2.gz WLJPWSHPOUFGDE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120470199 767027806 /nfs/dbraw/zinc/02/78/06/767027806.db2.gz PBHSGPLDYBOAKE-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120470199 767027816 /nfs/dbraw/zinc/02/78/16/767027816.db2.gz PBHSGPLDYBOAKE-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091267211 767076519 /nfs/dbraw/zinc/07/65/19/767076519.db2.gz DQRJWTFLHJKCGD-JXQTWKCFSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001160889102 767377792 /nfs/dbraw/zinc/37/77/92/767377792.db2.gz CNXQHJFCNSDCRH-OAHLLOKOSA-N 1 3 309.458 0.936 20 0 DCADHO C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121246381 767480255 /nfs/dbraw/zinc/48/02/55/767480255.db2.gz NTPYZLYHSWYPAT-MVXFGXTLSA-N 1 3 309.454 0.724 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595334 767487090 /nfs/dbraw/zinc/48/70/90/767487090.db2.gz YOWPULPFMLKEAZ-ZIAGYGMSSA-N 1 3 314.474 0.724 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)CC ZINC001146709722 767507547 /nfs/dbraw/zinc/50/75/47/767507547.db2.gz BPJXKYIEQBGHKU-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)CC ZINC001146709722 767507552 /nfs/dbraw/zinc/50/75/52/767507552.db2.gz BPJXKYIEQBGHKU-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001171294013 767640771 /nfs/dbraw/zinc/64/07/71/767640771.db2.gz PJLSKDNPPYPLSD-UHFFFAOYSA-N 1 3 305.426 0.595 20 0 DCADHO CCC[NH+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)C[C@@H]2C1 ZINC001161176956 768388073 /nfs/dbraw/zinc/38/80/73/768388073.db2.gz XYDKZPIHUFZMGD-YXWQFLTLSA-N 1 3 324.469 0.276 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](O)[C@H](CO)C2)cc1 ZINC001138769417 768436230 /nfs/dbraw/zinc/43/62/30/768436230.db2.gz PDBZZJXIXNGFKT-RDJZCZTQSA-N 1 3 308.422 0.802 20 0 DCADHO C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193367 768483315 /nfs/dbraw/zinc/48/33/15/768483315.db2.gz HJANMFOBRVAHCT-VNQPRFMTSA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193367 768483316 /nfs/dbraw/zinc/48/33/16/768483316.db2.gz HJANMFOBRVAHCT-VNQPRFMTSA-N 1 3 319.453 0.556 20 0 DCADHO N[C@H](C(=O)N1CCC(C2CC[NH2+]CC2)CC1)C1CCOCC1 ZINC001161207914 768518520 /nfs/dbraw/zinc/51/85/20/768518520.db2.gz DUASLUARAYRDCR-INIZCTEOSA-N 1 3 309.454 0.979 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001093672719 768686975 /nfs/dbraw/zinc/68/69/75/768686975.db2.gz BJANCLCWQNZWSX-FMKPAKJESA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1)N(C)C ZINC001094049243 768833818 /nfs/dbraw/zinc/83/38/18/768833818.db2.gz NVHVPNXAWQDNHQ-FMKPAKJESA-N 1 3 321.469 0.944 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](CCCF)CCCO1 ZINC001150620549 769142142 /nfs/dbraw/zinc/14/21/42/769142142.db2.gz RCBUMROLWZNACO-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1 ZINC001150620549 769142144 /nfs/dbraw/zinc/14/21/44/769142144.db2.gz RCBUMROLWZNACO-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066427 769250296 /nfs/dbraw/zinc/25/02/96/769250296.db2.gz UPAZQEFOINJBPP-CQSZACIVSA-N 1 3 307.442 0.930 20 0 DCADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066427 769250303 /nfs/dbraw/zinc/25/03/03/769250303.db2.gz UPAZQEFOINJBPP-CQSZACIVSA-N 1 3 307.442 0.930 20 0 DCADHO C[NH+]1CCC(CN2CCN(Cc3ccc(=O)[nH]n3)CC2)CC1 ZINC001232028628 769295898 /nfs/dbraw/zinc/29/58/98/769295898.db2.gz SBWXRMWEICCKMR-UHFFFAOYSA-N 1 3 305.426 0.642 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001151349426 769318285 /nfs/dbraw/zinc/31/82/85/769318285.db2.gz XGELWAAICYCJTK-UHFFFAOYSA-N 1 3 305.338 0.092 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCn1cc(Cl)cn1 ZINC001171762345 769370504 /nfs/dbraw/zinc/37/05/04/769370504.db2.gz AAUVEBOFPBCDRI-UHFFFAOYSA-N 1 3 315.849 0.974 20 0 DCADHO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)C(N)=O ZINC001172110557 769437282 /nfs/dbraw/zinc/43/72/82/769437282.db2.gz OLGIXMMCIFNQHR-LXFSFDBISA-N 1 3 324.469 0.606 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001152137324 769488582 /nfs/dbraw/zinc/48/85/82/769488582.db2.gz LHGGMHFFUUYMFT-OKILXGFUSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001152137324 769488587 /nfs/dbraw/zinc/48/85/87/769488587.db2.gz LHGGMHFFUUYMFT-OKILXGFUSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001152138304 769489736 /nfs/dbraw/zinc/48/97/36/769489736.db2.gz UNYOQEJIUCRYDG-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001152138157 769490512 /nfs/dbraw/zinc/49/05/12/769490512.db2.gz STERDPFFCZNGBH-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CC[C@H](NCCNC(=O)c2cccc(C[NH+](C)C)c2)C1=O ZINC001152246273 769514136 /nfs/dbraw/zinc/51/41/36/769514136.db2.gz WFLCYRLVQSUGDF-HNNXBMFYSA-N 1 3 318.421 0.298 20 0 DCADHO CCN(C(=O)CNCCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001152348913 769532418 /nfs/dbraw/zinc/53/24/18/769532418.db2.gz SKOLVQZPYPECLK-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCOCCO ZINC001152383522 769540739 /nfs/dbraw/zinc/54/07/39/769540739.db2.gz FFVHSKWZGNHVIQ-UHFFFAOYSA-N 1 3 309.410 0.077 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)c1ccccc1F ZINC001152445209 769558430 /nfs/dbraw/zinc/55/84/30/769558430.db2.gz DNOCQMDKXJNRBW-HNNXBMFYSA-N 1 3 311.401 0.905 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN(C)C)C[C@@H]1C(=O)OC ZINC001173568297 769662795 /nfs/dbraw/zinc/66/27/95/769662795.db2.gz SOUDGNLCZNOHEL-XYYAHUGASA-N 1 3 314.426 0.905 20 0 DCADHO CO[C@@H](C)CN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240911 769697411 /nfs/dbraw/zinc/69/74/11/769697411.db2.gz JCQHEKSUOXJIQQ-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO CO[C@H](C)CN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240912 769697387 /nfs/dbraw/zinc/69/73/87/769697387.db2.gz JCQHEKSUOXJIQQ-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175263055 769883959 /nfs/dbraw/zinc/88/39/59/769883959.db2.gz NUZKAGZGIJZOOB-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263054 769884736 /nfs/dbraw/zinc/88/47/36/769884736.db2.gz NUZKAGZGIJZOOB-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]([NH3+])CN1CCCn2cnc(CNC3CCOCC3)c2C1 ZINC001235653812 769925643 /nfs/dbraw/zinc/92/56/43/769925643.db2.gz USBVZCZOPWLXMA-ZDUSSCGKSA-N 1 3 307.442 0.705 20 0 DCADHO COC(=O)[C@H]1C[C@H]([NH3+])CN(Cc2nc3c(s2)CNCC3)C1 ZINC001235769477 769944552 /nfs/dbraw/zinc/94/45/52/769944552.db2.gz BOFMCHJXQWUOIX-UWVGGRQHSA-N 1 3 310.423 0.111 20 0 DCADHO C(c1nc2c(s1)CNCC2)N(C1COC1)C1CC[NH2+]CC1 ZINC001235929457 769963407 /nfs/dbraw/zinc/96/34/07/769963407.db2.gz PLIJKQLILHSESA-UHFFFAOYSA-N 1 3 308.451 0.742 20 0 DCADHO COc1ccccc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238878706 770140112 /nfs/dbraw/zinc/14/01/12/770140112.db2.gz KARCUNAHHRNGKU-UHFFFAOYSA-N 1 3 301.412 0.302 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753300 770167908 /nfs/dbraw/zinc/16/79/08/770167908.db2.gz FOHMMZLHNDOSPX-KBPBESRZSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCNCc1ccn(C)n1 ZINC001176844605 770214234 /nfs/dbraw/zinc/21/42/34/770214234.db2.gz LXQIZQKMHCLAGS-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001176980438 770268507 /nfs/dbraw/zinc/26/85/07/770268507.db2.gz GKVWPAALSAETIG-UHFFFAOYSA-N 1 3 300.447 0.337 20 0 DCADHO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176987021 770273483 /nfs/dbraw/zinc/27/34/83/770273483.db2.gz ZMOSHSCKWQAGTC-UHFFFAOYSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898277 770330082 /nfs/dbraw/zinc/33/00/82/770330082.db2.gz FRLDCMQGRSTUAD-CQSZACIVSA-N 1 3 322.457 0.447 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155016834 770368516 /nfs/dbraw/zinc/36/85/16/770368516.db2.gz OKWOVKYNZWYFMB-CQSZACIVSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCOCCOC)N(C)C ZINC001155289134 770462311 /nfs/dbraw/zinc/46/23/11/770462311.db2.gz LDSZQFOUSYIWOF-CABCVRRESA-N 1 3 317.474 0.816 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCOCCOC)N(C)C ZINC001155289134 770462315 /nfs/dbraw/zinc/46/23/15/770462315.db2.gz LDSZQFOUSYIWOF-CABCVRRESA-N 1 3 317.474 0.816 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1(c2cnccn2)CC1 ZINC001178027203 770611355 /nfs/dbraw/zinc/61/13/55/770611355.db2.gz AUIUVISSLRVGTM-UHFFFAOYSA-N 1 3 304.398 0.572 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccccc1 ZINC001155791039 770619390 /nfs/dbraw/zinc/61/93/90/770619390.db2.gz RDBQCIZGPJHVHG-OAHLLOKOSA-N 1 3 318.421 0.815 20 0 DCADHO c1c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nnc2c1CNCC2 ZINC001155826953 770630817 /nfs/dbraw/zinc/63/08/17/770630817.db2.gz WHRLGCVGMYGIQG-GOEBONIOSA-N 1 3 303.410 0.835 20 0 DCADHO CN(CC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001178702633 770843295 /nfs/dbraw/zinc/84/32/95/770843295.db2.gz VLPRAGYCPIYCKH-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](O)COC ZINC001156530707 770848221 /nfs/dbraw/zinc/84/82/21/770848221.db2.gz UNAUSVUSOWDGEL-ZIAGYGMSSA-N 1 3 303.447 0.162 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](O)COC ZINC001156530707 770848235 /nfs/dbraw/zinc/84/82/35/770848235.db2.gz UNAUSVUSOWDGEL-ZIAGYGMSSA-N 1 3 303.447 0.162 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001156597615 770867292 /nfs/dbraw/zinc/86/72/92/770867292.db2.gz KCIBXXDBKFHITB-CQSZACIVSA-N 1 3 315.458 0.428 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001156597615 770867301 /nfs/dbraw/zinc/86/73/01/770867301.db2.gz KCIBXXDBKFHITB-CQSZACIVSA-N 1 3 315.458 0.428 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902503 770899435 /nfs/dbraw/zinc/89/94/35/770899435.db2.gz UJMGXTIDXPIRJD-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)[C@@H]1C ZINC001179743954 771010103 /nfs/dbraw/zinc/01/01/03/771010103.db2.gz AFRWVRADMFNULO-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)[C@@H]1C ZINC001179764286 771013157 /nfs/dbraw/zinc/01/31/57/771013157.db2.gz XXJORSDVPORVPV-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCn1cncn1 ZINC001180123220 771065779 /nfs/dbraw/zinc/06/57/79/771065779.db2.gz BIMMVRHPQIWUAZ-UHFFFAOYSA-N 1 3 324.473 0.886 20 0 DCADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O ZINC001180369773 771114156 /nfs/dbraw/zinc/11/41/56/771114156.db2.gz WUEPMYVOUVYBJY-ZDUSSCGKSA-N 1 3 300.447 0.467 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001151074446 771378178 /nfs/dbraw/zinc/37/81/78/771378178.db2.gz YUDLEIDWZBSQNV-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001151074446 771378186 /nfs/dbraw/zinc/37/81/86/771378186.db2.gz YUDLEIDWZBSQNV-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CS(=O)(=O)c1nc(Cl)cc(NC(=N)NCCCC[NH3+])n1 ZINC001157094589 771532894 /nfs/dbraw/zinc/53/28/94/771532894.db2.gz UJBIANFWXJMFSM-UHFFFAOYSA-N 1 3 320.806 0.209 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001183228877 771621943 /nfs/dbraw/zinc/62/19/43/771621943.db2.gz ZCXXQMQELPEVQI-CZUORRHYSA-N 1 3 312.458 0.148 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183389213 771642690 /nfs/dbraw/zinc/64/26/90/771642690.db2.gz AZIXYUURVSNVOP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183389213 771642696 /nfs/dbraw/zinc/64/26/96/771642696.db2.gz AZIXYUURVSNVOP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001157716154 771657928 /nfs/dbraw/zinc/65/79/28/771657928.db2.gz LNIMPCYZALMYDV-SWLSCSKDSA-N 1 3 317.405 0.596 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001157720556 771658251 /nfs/dbraw/zinc/65/82/51/771658251.db2.gz LUWADCZIBGMCIN-BBWFWOEESA-N 1 3 317.433 0.827 20 0 DCADHO N[C@H](Cc1cccc(O)c1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157741687 771661858 /nfs/dbraw/zinc/66/18/58/771661858.db2.gz ZWKVEBXCMVZHND-ZBFHGGJFSA-N 1 3 309.385 0.942 20 0 DCADHO N[C@@H](Cc1cccc(O)c1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157741686 771661900 /nfs/dbraw/zinc/66/19/00/771661900.db2.gz ZWKVEBXCMVZHND-HOCLYGCPSA-N 1 3 309.385 0.942 20 0 DCADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C1C=CN=C2N=CC=C21 ZINC001183590481 771671942 /nfs/dbraw/zinc/67/19/42/771671942.db2.gz RKJPQQPAQJOGBR-NEPJUHHUSA-N 1 3 308.345 0.980 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183646974 771674954 /nfs/dbraw/zinc/67/49/54/771674954.db2.gz ADYQKUJSZXPXKI-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183759603 771697010 /nfs/dbraw/zinc/69/70/10/771697010.db2.gz NCJJCAUWKLLFJJ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183759603 771697012 /nfs/dbraw/zinc/69/70/12/771697012.db2.gz NCJJCAUWKLLFJJ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001183764954 771698681 /nfs/dbraw/zinc/69/86/81/771698681.db2.gz KQAGEYZAJSCJSG-QWHCGFSZSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001183764954 771698684 /nfs/dbraw/zinc/69/86/84/771698684.db2.gz KQAGEYZAJSCJSG-QWHCGFSZSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161913 771732638 /nfs/dbraw/zinc/73/26/38/771732638.db2.gz SHCGHJGBCFSUGY-BBRMVZONSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](NCCCNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cnccn1 ZINC001158196835 771738919 /nfs/dbraw/zinc/73/89/19/771738919.db2.gz ORRNYKNBGVSOIC-HIFRSBDPSA-N 1 3 317.437 0.975 20 0 DCADHO CO[C@@H](CN)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158250798 771745495 /nfs/dbraw/zinc/74/54/95/771745495.db2.gz XKELWTJGDHQFQJ-UWVGGRQHSA-N 1 3 309.332 0.636 20 0 DCADHO Cc1nc(N(C)C)cc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259802 771749026 /nfs/dbraw/zinc/74/90/26/771749026.db2.gz VISLJEKJXSYEAA-ZDUSSCGKSA-N 1 3 304.442 0.853 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158318961 771758951 /nfs/dbraw/zinc/75/89/51/771758951.db2.gz BLRNAVNORWGCJQ-GJZGRUSLSA-N 1 3 316.405 0.482 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158327333 771759314 /nfs/dbraw/zinc/75/93/14/771759314.db2.gz ZILASGRZLOVKDK-AGIUHOORSA-N 1 3 319.396 0.975 20 0 DCADHO [NH3+]C1(CC(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CCOCC1 ZINC001158335539 771761355 /nfs/dbraw/zinc/76/13/55/771761355.db2.gz AWZPRGMTTSJTJT-JKSUJKDBSA-N 1 3 315.417 0.982 20 0 DCADHO [NH3+][C@H](C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1)C1CCOCC1 ZINC001158336081 771761451 /nfs/dbraw/zinc/76/14/51/771761451.db2.gz IIENHCHVNKRBSO-BBWFWOEESA-N 1 3 315.417 0.838 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CC1CCCC1 ZINC001158497949 771783159 /nfs/dbraw/zinc/78/31/59/771783159.db2.gz KMKUGIZSVBXWCW-ZQDZILKHSA-N 1 3 323.437 0.646 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1COC(C)(C)OC1 ZINC001184458807 771791165 /nfs/dbraw/zinc/79/11/65/771791165.db2.gz FFWGRPMBPZYDRW-UHFFFAOYSA-N 1 3 300.403 0.449 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CCCO ZINC001184578089 771801524 /nfs/dbraw/zinc/80/15/24/771801524.db2.gz QPXLSZDLSOWKKH-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNCc1ccn(C)n1 ZINC001159327261 771896321 /nfs/dbraw/zinc/89/63/21/771896321.db2.gz COASKPLNVLFDKP-HNNXBMFYSA-N 1 3 307.442 0.890 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCNCc1ccn(C)n1 ZINC001159327261 771896326 /nfs/dbraw/zinc/89/63/26/771896326.db2.gz COASKPLNVLFDKP-HNNXBMFYSA-N 1 3 307.442 0.890 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001185401373 771911992 /nfs/dbraw/zinc/91/19/92/771911992.db2.gz OYLYKWAGZDKKCS-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408858 771916948 /nfs/dbraw/zinc/91/69/48/771916948.db2.gz YYDPFOUOWPIVOI-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]21 ZINC001159783241 771957473 /nfs/dbraw/zinc/95/74/73/771957473.db2.gz UWODSTNYODDCOR-ILXRZTDVSA-N 1 3 324.469 0.548 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCOCC(F)F)C1CC1 ZINC001159922895 771977410 /nfs/dbraw/zinc/97/74/10/771977410.db2.gz ATTAONCRCCHYNK-CYBMUJFWSA-N 1 3 307.385 0.704 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(=O)NC1CC1 ZINC001159931831 771979948 /nfs/dbraw/zinc/97/99/48/771979948.db2.gz JNSPYASKEMELOT-RISCZKNCSA-N 1 3 310.442 0.090 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186083310 772002238 /nfs/dbraw/zinc/00/22/38/772002238.db2.gz YSYRJFIWAXBIKC-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCn1nncc1CNCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274525 772018107 /nfs/dbraw/zinc/01/81/07/772018107.db2.gz VESRKAZBAOWYJM-AWEZNQCLSA-N 1 3 322.457 0.768 20 0 DCADHO CCn1nncc1CNCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274525 772018112 /nfs/dbraw/zinc/01/81/12/772018112.db2.gz VESRKAZBAOWYJM-AWEZNQCLSA-N 1 3 322.457 0.768 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001186489240 772045415 /nfs/dbraw/zinc/04/54/15/772045415.db2.gz YKAMVEWBDNVLJH-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001186487271 772046133 /nfs/dbraw/zinc/04/61/33/772046133.db2.gz IWRKVIXJFIJYKL-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO N[C@@H](C(=O)N1CCC[C@H]1Cc1ccccn1)C1CC[NH2+]CC1 ZINC001160545853 772062395 /nfs/dbraw/zinc/06/23/95/772062395.db2.gz VJPJFOXHGQCJAP-JKSUJKDBSA-N 1 3 302.422 0.942 20 0 DCADHO Cc1nc([C@@H]2CCCCN2C(=O)[C@H](N)C2CC[NH2+]CC2)no1 ZINC001160548363 772062479 /nfs/dbraw/zinc/06/24/79/772062479.db2.gz DSQVFLRVYMVSJV-QWHCGFSZSA-N 1 3 307.398 0.759 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2cccc3n[nH]cc32)CC1 ZINC001160668170 772091056 /nfs/dbraw/zinc/09/10/56/772091056.db2.gz PODZIPYHXJBUNV-CYBMUJFWSA-N 1 3 316.409 0.278 20 0 DCADHO COc1ccc(CN(C)C(=O)[C@H](N)C2CC[NH2+]CC2)c(OC)c1 ZINC001160676264 772092734 /nfs/dbraw/zinc/09/27/34/772092734.db2.gz QVGQXHQENMHZTJ-MRXNPFEDSA-N 1 3 321.421 0.989 20 0 DCADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160819262 772115160 /nfs/dbraw/zinc/11/51/60/772115160.db2.gz BFIFATBIOIADSL-PYJNHQTQSA-N 1 3 309.410 0.113 20 0 DCADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160819261 772115174 /nfs/dbraw/zinc/11/51/74/772115174.db2.gz BFIFATBIOIADSL-GHYVTOPFSA-N 1 3 309.410 0.113 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F)N(C)C ZINC001160889275 772132833 /nfs/dbraw/zinc/13/28/33/772132833.db2.gz GOIJCAYZHJETEH-VXGBXAGGSA-N 1 3 307.385 0.847 20 0 DCADHO CC(=O)N(C(C)C)C1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001161049893 772158484 /nfs/dbraw/zinc/15/84/84/772158484.db2.gz IUJRTMIIJUQDLQ-MRXNPFEDSA-N 1 3 324.469 0.561 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001187321601 772164908 /nfs/dbraw/zinc/16/49/08/772164908.db2.gz GBGLEMSXSYPOHR-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO N[C@@H]1C[NH2+][C@H](C(=O)N2CCC(c3[nH]nc4ccccc43)CC2)C1 ZINC001161104809 772170057 /nfs/dbraw/zinc/17/00/57/772170057.db2.gz CQPMFHCWSQHHQJ-WFASDCNBSA-N 1 3 313.405 0.958 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC001161144090 772175361 /nfs/dbraw/zinc/17/53/61/772175361.db2.gz GYLQGJYMBHNXLG-CVEARBPZSA-N 1 3 305.422 0.913 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])Cc2nnc(C(F)(F)F)n21 ZINC001161146778 772175446 /nfs/dbraw/zinc/17/54/46/772175446.db2.gz SDFZYBZECDNDBD-SFYZADRCSA-N 1 3 320.319 0.266 20 0 DCADHO CN(C(=O)[C@]1(N)CCc2cc(F)ccc2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218659 772185820 /nfs/dbraw/zinc/18/58/20/772185820.db2.gz KDIQGQZUDGOWEH-HWMZRRJGSA-N 1 3 303.381 0.688 20 0 DCADHO N[C@@H](C(=O)N1CCC[C@H](Oc2ncccn2)C1)C1CC[NH2+]CC1 ZINC001161295086 772198240 /nfs/dbraw/zinc/19/82/40/772198240.db2.gz FPINCYKOAMAXRV-UONOGXRCSA-N 1 3 319.409 0.173 20 0 DCADHO CN(C)CCN(C(=O)[C@@]1(C)CC(F)(F)CN1)[C@H]1CCC[NH2+]C1 ZINC001161444051 772224676 /nfs/dbraw/zinc/22/46/76/772224676.db2.gz AYRXWCLYESNDNM-GXTWGEPZSA-N 1 3 318.412 0.516 20 0 DCADHO CC(C)N(C)CC(=O)N(CC[NH2+]CCO)CCc1ccccc1 ZINC001163007027 772442213 /nfs/dbraw/zinc/44/22/13/772442213.db2.gz NGXJSAWFLPTNFM-UHFFFAOYSA-N 1 3 321.465 0.980 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001189890505 772561664 /nfs/dbraw/zinc/56/16/64/772561664.db2.gz FDTCDDNHKILFBC-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001189890505 772561666 /nfs/dbraw/zinc/56/16/66/772561666.db2.gz FDTCDDNHKILFBC-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC001163821080 772577473 /nfs/dbraw/zinc/57/74/73/772577473.db2.gz KMPGFYJDHUKVEO-HNNXBMFYSA-N 1 3 319.453 0.890 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001165717996 772757826 /nfs/dbraw/zinc/75/78/26/772757826.db2.gz CRWTXLZSCVYUTQ-ZIAGYGMSSA-N 1 3 315.458 0.210 20 0 DCADHO COc1cncc(CNCCCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001165776927 772761515 /nfs/dbraw/zinc/76/15/15/772761515.db2.gz OXNFMBXYNSUNAH-UHFFFAOYSA-N 1 3 321.425 0.423 20 0 DCADHO COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191432059 772768308 /nfs/dbraw/zinc/76/83/08/772768308.db2.gz YPDSSJJROPNAOP-DGNOSDGRSA-N 1 3 323.437 0.029 20 0 DCADHO COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191432059 772768311 /nfs/dbraw/zinc/76/83/11/772768311.db2.gz YPDSSJJROPNAOP-DGNOSDGRSA-N 1 3 323.437 0.029 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626130 772830217 /nfs/dbraw/zinc/83/02/17/772830217.db2.gz BGFWBNBQHQTTOI-CQSZACIVSA-N 1 3 301.431 0.230 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)ncn1 ZINC001166627077 772831071 /nfs/dbraw/zinc/83/10/71/772831071.db2.gz PIZKCZCDOGCXHF-CQSZACIVSA-N 1 3 305.426 0.865 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667912 772837737 /nfs/dbraw/zinc/83/77/37/772837737.db2.gz LFOKVGFURVHUOX-AWEZNQCLSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCc2cnn(C)c2)C1 ZINC001166678882 772840456 /nfs/dbraw/zinc/84/04/56/772840456.db2.gz XTRFTSDQSBAEKN-CQSZACIVSA-N 1 3 307.442 0.400 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001166690892 772840835 /nfs/dbraw/zinc/84/08/35/772840835.db2.gz HXMYRZATWGSCNN-DZGCQCFKSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001166690892 772840840 /nfs/dbraw/zinc/84/08/40/772840840.db2.gz HXMYRZATWGSCNN-DZGCQCFKSA-N 1 3 307.442 0.697 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001166690798 772840932 /nfs/dbraw/zinc/84/09/32/772840932.db2.gz GAPVZZPPNSYUKK-TZMCWYRMSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001166690798 772840937 /nfs/dbraw/zinc/84/09/37/772840937.db2.gz GAPVZZPPNSYUKK-TZMCWYRMSA-N 1 3 321.425 0.279 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166691785 772842450 /nfs/dbraw/zinc/84/24/50/772842450.db2.gz NBQFFTCHENCOED-TZMCWYRMSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166691785 772842455 /nfs/dbraw/zinc/84/24/55/772842455.db2.gz NBQFFTCHENCOED-TZMCWYRMSA-N 1 3 305.426 0.579 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1)N(C)C ZINC001166851464 772870804 /nfs/dbraw/zinc/87/08/04/772870804.db2.gz AXYFHBDYNJHKTA-GJZGRUSLSA-N 1 3 315.458 0.618 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203790984 772924475 /nfs/dbraw/zinc/92/44/75/772924475.db2.gz BFCNTWAJZFOLPT-KGLIPLIRSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204799433 772962748 /nfs/dbraw/zinc/96/27/48/772962748.db2.gz WWYIJVOXJCPUMI-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](CC)C(N)=O)CC1)N(C)C ZINC001205516122 772997716 /nfs/dbraw/zinc/99/77/16/772997716.db2.gz PIHYSXAFSKTZDE-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC001206890572 773122005 /nfs/dbraw/zinc/12/20/05/773122005.db2.gz YCPUCESUWZPTKZ-UHFFFAOYSA-N 1 3 322.457 0.485 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001208334955 773435585 /nfs/dbraw/zinc/43/55/85/773435585.db2.gz OVHQIGSOZGMBMZ-GOEBONIOSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208330878 773435897 /nfs/dbraw/zinc/43/58/97/773435897.db2.gz HIARGJBGMNYYNO-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829670 773489610 /nfs/dbraw/zinc/48/96/10/773489610.db2.gz UKLMTYPMDFNGTQ-FZZYSBJUSA-N 1 3 309.454 0.846 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3C[C@@H]2CCCN(C)C2)cn1 ZINC001208615413 773506571 /nfs/dbraw/zinc/50/65/71/773506571.db2.gz WTDUACLOWRTMEQ-FVQBIDKESA-N 1 3 317.437 0.942 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@H+]3C[C@@H]2CCCN(C)C2)cn1 ZINC001208615413 773506573 /nfs/dbraw/zinc/50/65/73/773506573.db2.gz WTDUACLOWRTMEQ-FVQBIDKESA-N 1 3 317.437 0.942 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001209325298 773592220 /nfs/dbraw/zinc/59/22/20/773592220.db2.gz YITFUOAAOOXJSE-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCOCC(F)F)C1 ZINC001209838066 773652121 /nfs/dbraw/zinc/65/21/21/773652121.db2.gz WHUHCHLABXQUGZ-NSHDSACASA-N 1 3 316.352 0.815 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951156 773662292 /nfs/dbraw/zinc/66/22/92/773662292.db2.gz JFZWOMVANBKZOU-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001210184485 773683093 /nfs/dbraw/zinc/68/30/93/773683093.db2.gz ZUXWVTOOZCMPKP-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001210482076 773711322 /nfs/dbraw/zinc/71/13/22/773711322.db2.gz KNXMIKRWKMJNKX-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001210482076 773711330 /nfs/dbraw/zinc/71/13/30/773711330.db2.gz KNXMIKRWKMJNKX-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001210797303 773740221 /nfs/dbraw/zinc/74/02/21/773740221.db2.gz RFHYINOQAFZYTP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001210797303 773740229 /nfs/dbraw/zinc/74/02/29/773740229.db2.gz RFHYINOQAFZYTP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211063978 773765520 /nfs/dbraw/zinc/76/55/20/773765520.db2.gz FLQPMLCLEOPLDZ-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211063978 773765526 /nfs/dbraw/zinc/76/55/26/773765526.db2.gz FLQPMLCLEOPLDZ-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211241673 773785293 /nfs/dbraw/zinc/78/52/93/773785293.db2.gz WEARSHNDBDQEEF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211257328 773786252 /nfs/dbraw/zinc/78/62/52/773786252.db2.gz QWTVVEWOZYAJHV-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001211354180 773794039 /nfs/dbraw/zinc/79/40/39/773794039.db2.gz JXXSPCHHPIHACT-HOTGVXAUSA-N 1 3 303.406 0.538 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213859928 773896246 /nfs/dbraw/zinc/89/62/46/773896246.db2.gz OEOMPVWJXYCJCH-RBSFLKMASA-N 1 3 313.442 0.180 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213859928 773896249 /nfs/dbraw/zinc/89/62/49/773896249.db2.gz OEOMPVWJXYCJCH-RBSFLKMASA-N 1 3 313.442 0.180 20 0 DCADHO CCc1nc([C@@H](C)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001215463321 774074653 /nfs/dbraw/zinc/07/46/53/774074653.db2.gz RGEOTBIDWHMWRL-JHJVBQTASA-N 1 3 322.457 0.816 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCN2CCOC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000403197899 774098386 /nfs/dbraw/zinc/09/83/86/774098386.db2.gz ZXPALSCYYXTGFC-UONOGXRCSA-N 1 3 324.425 0.019 20 0 DCADHO O=C(NC[C@H]1CCCN(CCN2CCOC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000403197898 774098533 /nfs/dbraw/zinc/09/85/33/774098533.db2.gz ZXPALSCYYXTGFC-KGLIPLIRSA-N 1 3 324.425 0.019 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216469417 774118346 /nfs/dbraw/zinc/11/83/46/774118346.db2.gz QRWAWXRJKLWCSN-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO COCCOc1ccc(C(=O)N(CCCC[NH3+])C(=N)N)cn1 ZINC001199549307 774145048 /nfs/dbraw/zinc/14/50/48/774145048.db2.gz AKSPUXRGUZSKKZ-UHFFFAOYSA-N 1 3 309.370 0.181 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2CCCC[NH2+]C2)c1 ZINC001217973120 774207321 /nfs/dbraw/zinc/20/73/21/774207321.db2.gz BZPCIOCVBLTFTA-KGLIPLIRSA-N 1 3 321.421 0.871 20 0 DCADHO c1cc(OC[C@H]2CCC3(C[NH2+]C3)O2)n2nc3c(c2n1)CNCC3 ZINC001218073079 774210860 /nfs/dbraw/zinc/21/08/60/774210860.db2.gz JFIIPKCLEXYOTC-LLVKDONJSA-N 1 3 315.377 0.275 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(OC2CCC3(C[NH2+]C3)CC2)cc1 ZINC001218263344 774219279 /nfs/dbraw/zinc/21/92/79/774219279.db2.gz DDWAPQGFXYUSII-HNNXBMFYSA-N 1 3 303.406 0.953 20 0 DCADHO COc1ccc2[nH]c(NC(=O)[C@@H]3C[NH2+]CC34CNC4)nc2c1 ZINC001218521692 774236083 /nfs/dbraw/zinc/23/60/83/774236083.db2.gz RNMFPPRFBXKGQV-JTQLQIEISA-N 1 3 301.350 0.319 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218537138 774240825 /nfs/dbraw/zinc/24/08/25/774240825.db2.gz VBUXFELLGLLOOI-LSDHHAIUSA-N 1 3 309.454 0.896 20 0 DCADHO N[C@@H](CC[NH3+])C(=O)Nc1n[nH]c2ncc(Br)cc12 ZINC001218564468 774248529 /nfs/dbraw/zinc/24/85/29/774248529.db2.gz VONBMGWSPCLFKB-ZETCQYMHSA-N 1 3 313.159 0.335 20 0 DCADHO Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C(F)(F)F)n1 ZINC001218599745 774260029 /nfs/dbraw/zinc/26/00/29/774260029.db2.gz ZWOFXOQMBFDGIU-PRHODGIISA-N 1 3 317.315 0.577 20 0 DCADHO Cn1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(C(F)(F)F)n1 ZINC001218599294 774260126 /nfs/dbraw/zinc/26/01/26/774260126.db2.gz USFQKEQOMXIMCO-SECBINFHSA-N 1 3 305.304 0.704 20 0 DCADHO CCOC(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218647157 774271938 /nfs/dbraw/zinc/27/19/38/774271938.db2.gz FYHOUVHPWFZSFO-SNVBAGLBSA-N 1 3 304.350 0.006 20 0 DCADHO NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218667275 774277499 /nfs/dbraw/zinc/27/74/99/774277499.db2.gz MEWZAARYVSHGNJ-XINAWCOVSA-N 1 3 318.164 0.115 20 0 DCADHO C[NH2+][C@H]1CCCN(CC(=O)Nc2cc([C@@H]3CCCN3)no2)C1 ZINC001218709740 774285821 /nfs/dbraw/zinc/28/58/21/774285821.db2.gz AADPZPCKGPTQMA-RYUDHWBXSA-N 1 3 307.398 0.721 20 0 DCADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218711619 774285977 /nfs/dbraw/zinc/28/59/77/774285977.db2.gz LJMCLRMEOLWWNU-JULQROHOSA-N 1 3 306.366 0.805 20 0 DCADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218714054 774286800 /nfs/dbraw/zinc/28/68/00/774286800.db2.gz WRQNTWMHXHANHB-NEPJUHHUSA-N 1 3 323.397 0.671 20 0 DCADHO CCOC(=O)c1ncc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)[n-]1 ZINC001218763001 774299525 /nfs/dbraw/zinc/29/95/25/774299525.db2.gz BROMGCPVKPQBJV-JTQLQIEISA-N 1 3 311.386 0.584 20 0 DCADHO COC(=O)c1cc(OC)ccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218823493 774311770 /nfs/dbraw/zinc/31/17/70/774311770.db2.gz TXPYOMBYKXJBEW-AWEZNQCLSA-N 1 3 321.377 0.747 20 0 DCADHO CN1CCN(c2ccc(F)cc2NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001218862120 774316442 /nfs/dbraw/zinc/31/64/42/774316442.db2.gz QUXUZYFCLRLWEP-ZDUSSCGKSA-N 1 3 323.416 0.582 20 0 DCADHO [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001218857004 774316636 /nfs/dbraw/zinc/31/66/36/774316636.db2.gz XOELUDFOZHZQBH-JTQLQIEISA-N 1 3 303.370 0.652 20 0 DCADHO [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001218857004 774316642 /nfs/dbraw/zinc/31/66/42/774316642.db2.gz XOELUDFOZHZQBH-JTQLQIEISA-N 1 3 303.370 0.652 20 0 DCADHO COCCOc1cccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001218951101 774334234 /nfs/dbraw/zinc/33/42/34/774334234.db2.gz RNCIIFAYXCFRCT-HNNXBMFYSA-N 1 3 307.394 0.977 20 0 DCADHO N[C@H](C(=O)Nc1ccc2[nH]c(CO)nc2c1)C1CC[NH2+]CC1 ZINC001218955759 774335215 /nfs/dbraw/zinc/33/52/15/774335215.db2.gz JSVNOOYIFUDRJC-AWEZNQCLSA-N 1 3 303.366 0.321 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccccc1CN1CCCC1=O ZINC001218965982 774336628 /nfs/dbraw/zinc/33/66/28/774336628.db2.gz KDJAOGWIDRABSG-ZDUSSCGKSA-N 1 3 304.394 0.814 20 0 DCADHO O=C(Nc1ccc(-c2ccncn2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218977013 774339325 /nfs/dbraw/zinc/33/93/25/774339325.db2.gz HAKJTUVDEZEXPL-AWEZNQCLSA-N 1 3 309.373 0.891 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218994090 774343239 /nfs/dbraw/zinc/34/32/39/774343239.db2.gz AEOMKCDLROTVKH-ZDUSSCGKSA-N 1 3 304.394 0.718 20 0 DCADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CNC[C@@H](F)C1 ZINC001219115535 774375857 /nfs/dbraw/zinc/37/58/57/774375857.db2.gz CJRDYQPSXUVADD-OLZOCXBDSA-N 1 3 306.385 0.982 20 0 DCADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)[C@@H]3CNCCN3)cc2)C1 ZINC001219236596 774418804 /nfs/dbraw/zinc/41/88/04/774418804.db2.gz XLVPACGFNBINKF-DOMZBBRYSA-N 1 3 303.410 0.114 20 0 DCADHO [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@@H]2CNCCN2)CC1 ZINC001219290776 774437999 /nfs/dbraw/zinc/43/79/99/774437999.db2.gz LGCRWYDRFLMDKS-ZDUSSCGKSA-N 1 3 321.400 0.253 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCCO[C@H](CNCCF)C2)CC1 ZINC001201259541 774478895 /nfs/dbraw/zinc/47/88/95/774478895.db2.gz BCVMHIYPPFDDHC-CYBMUJFWSA-N 1 3 301.406 0.505 20 0 DCADHO COc1ccc2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2n1 ZINC001219406668 774480247 /nfs/dbraw/zinc/48/02/47/774480247.db2.gz CTVUFBDKIQWCTA-CYBMUJFWSA-N 1 3 312.373 0.991 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001201327340 774488442 /nfs/dbraw/zinc/48/84/42/774488442.db2.gz LSYIKJOALRGRRS-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](F)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335348 774494035 /nfs/dbraw/zinc/49/40/35/774494035.db2.gz NEFIXBURGIGYJI-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCCO1 ZINC001201344682 774497522 /nfs/dbraw/zinc/49/75/22/774497522.db2.gz VWJMKEHXIGNXJA-LSDHHAIUSA-N 1 3 315.458 0.426 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201481827 774520927 /nfs/dbraw/zinc/52/09/27/774520927.db2.gz GWHQHIDVOSLLKA-GXTWGEPZSA-N 1 3 310.398 0.194 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219532589 774526919 /nfs/dbraw/zinc/52/69/19/774526919.db2.gz AULZTSYJRSWURH-GYSYKLTISA-N 1 3 313.361 0.366 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219532589 774526923 /nfs/dbraw/zinc/52/69/23/774526923.db2.gz AULZTSYJRSWURH-GYSYKLTISA-N 1 3 313.361 0.366 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219534104 774527076 /nfs/dbraw/zinc/52/70/76/774527076.db2.gz TXPNYXZNULRQQB-OUJBWJOFSA-N 1 3 319.361 0.353 20 0 DCADHO COc1ccc(CSC[C@H](N)C(=O)NCC[NH+](C)C)cc1 ZINC001219553686 774534721 /nfs/dbraw/zinc/53/47/21/774534721.db2.gz GVJACGHAYPEJNI-AWEZNQCLSA-N 1 3 311.451 0.934 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CCCO1 ZINC001201677490 774536102 /nfs/dbraw/zinc/53/61/02/774536102.db2.gz CIDKQCXNLFHAHZ-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CCCCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643204 774569901 /nfs/dbraw/zinc/56/99/01/774569901.db2.gz JYYQGCFLZNKLNA-XHSDSOJGSA-N 1 3 309.454 0.680 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001201931241 774572748 /nfs/dbraw/zinc/57/27/48/774572748.db2.gz JITLDGQAMHWUEI-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO Cc1cc(C)c(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c(=O)[nH]1 ZINC001219689430 774580286 /nfs/dbraw/zinc/58/02/86/774580286.db2.gz SRJOPBUTTBNQFI-AWEZNQCLSA-N 1 3 318.421 0.894 20 0 DCADHO Cc1cc(C)c(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c(=O)[nH]1 ZINC001219689430 774580289 /nfs/dbraw/zinc/58/02/89/774580289.db2.gz SRJOPBUTTBNQFI-AWEZNQCLSA-N 1 3 318.421 0.894 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NCCc1ccc(C(F)(F)F)nc1 ZINC001219691928 774581213 /nfs/dbraw/zinc/58/12/13/774581213.db2.gz ZXPVNVKTDWSKTG-JTQLQIEISA-N 1 3 304.316 0.825 20 0 DCADHO Cc1cc(C)cc(OC[C@@H](C)NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219711351 774587182 /nfs/dbraw/zinc/58/71/82/774587182.db2.gz CETFLNSDYAPPKX-ZBFHGGJFSA-N 1 3 317.433 0.996 20 0 DCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](O)CN)CC21CC[NH2+]CC1 ZINC001219757986 774599320 /nfs/dbraw/zinc/59/93/20/774599320.db2.gz ZFANFLZVFCKWIT-GJZGRUSLSA-N 1 3 303.406 0.497 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219848562 774627187 /nfs/dbraw/zinc/62/71/87/774627187.db2.gz ZDLXMYUMWLHVQW-JGFGOLAASA-N 1 3 323.437 0.171 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219925565 774648686 /nfs/dbraw/zinc/64/86/86/774648686.db2.gz ORMFFUSFIBFSQD-GJZGRUSLSA-N 1 3 315.417 0.981 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219925565 774648688 /nfs/dbraw/zinc/64/86/88/774648688.db2.gz ORMFFUSFIBFSQD-GJZGRUSLSA-N 1 3 315.417 0.981 20 0 DCADHO O=C(NC[C@H](O)c1ccc(O)cc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220113092 774696931 /nfs/dbraw/zinc/69/69/31/774696931.db2.gz JTWWWKKJGDBCTN-CABCVRRESA-N 1 3 319.405 0.416 20 0 DCADHO O=C(NC[C@H](O)c1ccc(O)cc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220113092 774696935 /nfs/dbraw/zinc/69/69/35/774696935.db2.gz JTWWWKKJGDBCTN-CABCVRRESA-N 1 3 319.405 0.416 20 0 DCADHO CSCC[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(C)(C)O ZINC001220145742 774708607 /nfs/dbraw/zinc/70/86/07/774708607.db2.gz OFQWSTWYAWFQTK-NEPJUHHUSA-N 1 3 303.472 0.322 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220189384 774728120 /nfs/dbraw/zinc/72/81/20/774728120.db2.gz PVZKKPRXNGRUOY-STQMWFEESA-N 1 3 320.428 0.843 20 0 DCADHO O=C(N[C@H]1CCCc2cccnc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220225024 774740023 /nfs/dbraw/zinc/74/00/23/774740023.db2.gz CJVCDXRZTLXDJU-JKIFEVAISA-N 1 3 300.406 0.774 20 0 DCADHO Cc1nc[nH]c1CSCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220256657 774747444 /nfs/dbraw/zinc/74/74/44/774747444.db2.gz AYBHGHVUHVGBDY-GYSYKLTISA-N 1 3 309.439 0.289 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403377 774796205 /nfs/dbraw/zinc/79/62/05/774796205.db2.gz PINBILLOQWJAMU-LSDHHAIUSA-N 1 3 318.421 0.533 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@]1(N)CCc2cc(F)ccc2C1 ZINC001220517337 774831820 /nfs/dbraw/zinc/83/18/20/774831820.db2.gz HLXHGLHWIMAFCS-INIZCTEOSA-N 1 3 308.401 0.019 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114404857 774840825 /nfs/dbraw/zinc/84/08/25/774840825.db2.gz INRJCHZBVRGIJJ-JJXSEGSLSA-N 1 3 309.454 0.798 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114404857 774840834 /nfs/dbraw/zinc/84/08/34/774840834.db2.gz INRJCHZBVRGIJJ-JJXSEGSLSA-N 1 3 309.454 0.798 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]32)CCC1 ZINC001114407102 774844188 /nfs/dbraw/zinc/84/41/88/774844188.db2.gz RDLWWSMSHQIAJD-WCVJEAGWSA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@H]32)CCC1 ZINC001114407102 774844197 /nfs/dbraw/zinc/84/41/97/774844197.db2.gz RDLWWSMSHQIAJD-WCVJEAGWSA-N 1 3 321.465 0.944 20 0 DCADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CNC[C@@H](F)C1 ZINC001220651229 774876938 /nfs/dbraw/zinc/87/69/38/774876938.db2.gz HKQVIUJQNBOGHM-GJZGRUSLSA-N 1 3 320.412 0.660 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CCOCCOC)CC1)N(C)C ZINC001202531733 774886375 /nfs/dbraw/zinc/88/63/75/774886375.db2.gz MXRAEUMQVOPEOC-HNNXBMFYSA-N 1 3 315.458 0.570 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[NH2+]CC1CC1 ZINC000870878412 774887616 /nfs/dbraw/zinc/88/76/16/774887616.db2.gz JAWMDEGYCFJGSH-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220709267 774896857 /nfs/dbraw/zinc/89/68/57/774896857.db2.gz VJMIWPLTBGOJAG-CMPLNLGQSA-N 1 3 310.785 0.386 20 0 DCADHO [NH3+]C[C@H](O)CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926738 774954542 /nfs/dbraw/zinc/95/45/42/774954542.db2.gz XYSZWLDFHUPILT-OAHLLOKOSA-N 1 3 306.410 0.120 20 0 DCADHO Cc1cccc(C(C)(C)CNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001220997093 774974017 /nfs/dbraw/zinc/97/40/17/774974017.db2.gz VVPAZLQYBLQROO-LBPRGKRZSA-N 1 3 310.467 0.803 20 0 DCADHO CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001221008467 774976568 /nfs/dbraw/zinc/97/65/68/774976568.db2.gz UGFFOFPRKTZOEC-IHRRRGAJSA-N 1 3 312.458 0.642 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC=CCC1 ZINC001221018491 774980117 /nfs/dbraw/zinc/98/01/17/774980117.db2.gz DLOVNZKWIMPEMX-KKUMJFAQSA-N 1 3 322.453 0.659 20 0 DCADHO NCc1ccc(C(=O)NC2(c3cccnc3)CC[NH2+]CC2)cn1 ZINC001221125852 775001298 /nfs/dbraw/zinc/00/12/98/775001298.db2.gz MDHSNHRHDKFOQZ-UHFFFAOYSA-N 1 3 311.389 0.944 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001221154201 775011038 /nfs/dbraw/zinc/01/10/38/775011038.db2.gz GTFZSKMNHLHIQP-CVEARBPZSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365378 775078298 /nfs/dbraw/zinc/07/82/98/775078298.db2.gz AMRQEEYELADPPJ-GMTAPVOTSA-N 1 3 303.378 0.252 20 0 DCADHO C[C@]1(CC(=O)N2CCC(C3=CC=C(N)CN3)CC2)CC[NH2+]C1 ZINC001221392431 775083407 /nfs/dbraw/zinc/08/34/07/775083407.db2.gz WGVVAIVMWGRBEL-QGZVFWFLSA-N 1 3 304.438 0.944 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)NC1 ZINC001221391407 775083682 /nfs/dbraw/zinc/08/36/82/775083682.db2.gz MMDWWUTYXVDGHK-QKDCVEJESA-N 1 3 316.449 0.800 20 0 DCADHO CN1CCC(CO)(NC(=O)[C@@](C)([NH3+])Cc2ccc(F)cc2)CC1 ZINC001221402847 775088128 /nfs/dbraw/zinc/08/81/28/775088128.db2.gz MQJUFTVZVSJLKP-INIZCTEOSA-N 1 3 323.412 0.659 20 0 DCADHO C[NH+]1CCC(CO)(NC(=O)[C@@](C)(N)Cc2ccc(F)cc2)CC1 ZINC001221402847 775088131 /nfs/dbraw/zinc/08/81/31/775088131.db2.gz MQJUFTVZVSJLKP-INIZCTEOSA-N 1 3 323.412 0.659 20 0 DCADHO CC(C)[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cccc(N)n1 ZINC001221404741 775089020 /nfs/dbraw/zinc/08/90/20/775089020.db2.gz FFLTXHIIRMOJSK-LSDHHAIUSA-N 1 3 305.426 0.804 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787000 775195117 /nfs/dbraw/zinc/19/51/17/775195117.db2.gz GKSDLZKHRDPAPN-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO NC(=O)CN[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222088194 775266507 /nfs/dbraw/zinc/26/65/07/775266507.db2.gz SZHMZVHHZKOALU-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO CC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@@]3(CCCCN3)C2)C1 ZINC001222669077 775410979 /nfs/dbraw/zinc/41/09/79/775410979.db2.gz RLLPOAHJWPZTQX-IRXDYDNUSA-N 1 3 308.470 0.662 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223472886 775492922 /nfs/dbraw/zinc/49/29/22/775492922.db2.gz XNEDXUOMZNRCRH-CABCVRRESA-N 1 3 324.469 0.419 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226161569 775774496 /nfs/dbraw/zinc/77/44/96/775774496.db2.gz QXOZYIQHJCVHBH-RBSFLKMASA-N 1 3 324.469 0.622 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001226891856 775893495 /nfs/dbraw/zinc/89/34/95/775893495.db2.gz VLUJFFRVPYLCKA-BFHYXJOUSA-N 1 3 310.442 0.363 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001226891856 775893497 /nfs/dbraw/zinc/89/34/97/775893497.db2.gz VLUJFFRVPYLCKA-BFHYXJOUSA-N 1 3 310.442 0.363 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC ZINC001229232187 776171637 /nfs/dbraw/zinc/17/16/37/776171637.db2.gz YTJUGLWFHBABNV-RRFJBIMHSA-N 1 3 315.458 0.353 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138830 776258219 /nfs/dbraw/zinc/25/82/19/776258219.db2.gz RSEGSDVDCRONHS-RBSFLKMASA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138830 776258223 /nfs/dbraw/zinc/25/82/23/776258223.db2.gz RSEGSDVDCRONHS-RBSFLKMASA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H]2CCN(CCO)[C@H]2C1)[NH+]1CCCC1 ZINC001042187584 777765081 /nfs/dbraw/zinc/76/50/81/777765081.db2.gz NNYRWDPXSOYSRI-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1)N1CCCC1 ZINC001042187584 777765082 /nfs/dbraw/zinc/76/50/82/777765082.db2.gz NNYRWDPXSOYSRI-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1)N1CCCC1 ZINC001042187584 777765087 /nfs/dbraw/zinc/76/50/87/777765087.db2.gz NNYRWDPXSOYSRI-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)CCC[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2)C1 ZINC001278049517 945116770 /nfs/dbraw/zinc/11/67/70/945116770.db2.gz MLBIXKYUTQHFFT-KRWDZBQOSA-N 1 3 310.486 0.814 20 0 DCADHO CN(C)CCC[N@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2)C1 ZINC001278049517 945116774 /nfs/dbraw/zinc/11/67/74/945116774.db2.gz MLBIXKYUTQHFFT-KRWDZBQOSA-N 1 3 310.486 0.814 20 0 DCADHO CC(C)CCN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001278176673 945169583 /nfs/dbraw/zinc/16/95/83/945169583.db2.gz UVIJAGNXYBNTSA-LSDHHAIUSA-N 1 3 322.453 0.930 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@@H]3CCCOC3)C2)C1=O ZINC001273032811 945211563 /nfs/dbraw/zinc/21/15/63/945211563.db2.gz CBNJRXGINATQGC-RDJZCZTQSA-N 1 3 309.454 0.899 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@@H]3CCCOC3)C2)C1=O ZINC001273032811 945211570 /nfs/dbraw/zinc/21/15/70/945211570.db2.gz CBNJRXGINATQGC-RDJZCZTQSA-N 1 3 309.454 0.899 20 0 DCADHO COC(=O)[C@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397487067 939136269 /nfs/dbraw/zinc/13/62/69/939136269.db2.gz CXPLVNPCHOLVCR-OAHLLOKOSA-N 1 3 322.405 0.137 20 0 DCADHO CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)CN(C)C1CCC1 ZINC001266726162 939221425 /nfs/dbraw/zinc/22/14/25/939221425.db2.gz JEYJFSMMYUOVIA-UHFFFAOYSA-N 1 3 320.437 0.418 20 0 DCADHO CC[NH+]1CCC(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001461959985 1013046878 /nfs/dbraw/zinc/04/68/78/1013046878.db2.gz OGYFGKJWXMPSEK-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CN(CC[NH2+]C[C@H](O)CC(F)(F)F)C(=O)[C@H]1CCCN1C ZINC001481215529 939641771 /nfs/dbraw/zinc/64/17/71/939641771.db2.gz KKOXCRLNWLULHT-GHMZBOCLSA-N 1 3 311.348 0.442 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001481228462 939654536 /nfs/dbraw/zinc/65/45/36/939654536.db2.gz FPXDXYAXKOURNS-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001481228462 939654538 /nfs/dbraw/zinc/65/45/38/939654538.db2.gz FPXDXYAXKOURNS-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)[C@@H]1CCCN1C ZINC001408800260 939659805 /nfs/dbraw/zinc/65/98/05/939659805.db2.gz RYLCAEPRBHRNKZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)[C@@H]1CCCN1C ZINC001408800260 939659807 /nfs/dbraw/zinc/65/98/07/939659807.db2.gz RYLCAEPRBHRNKZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO Cc1noc(CCC[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)n1 ZINC001481280542 939706765 /nfs/dbraw/zinc/70/67/65/939706765.db2.gz UAHDVFKMDUTGOB-ZDUSSCGKSA-N 1 3 323.441 0.700 20 0 DCADHO CN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001481315019 939742734 /nfs/dbraw/zinc/74/27/34/939742734.db2.gz QMZRKWARYAMJIG-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCC(=O)NC1CC1 ZINC001481317760 939744497 /nfs/dbraw/zinc/74/44/97/939744497.db2.gz KYTUSPGFIJXRSA-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCC(=O)NC1CC1 ZINC001481317760 939744499 /nfs/dbraw/zinc/74/44/99/939744499.db2.gz KYTUSPGFIJXRSA-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481498204 939902881 /nfs/dbraw/zinc/90/28/81/939902881.db2.gz PJFHLHCAIICJTG-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCCNC2=O)C1 ZINC001481505956 939906418 /nfs/dbraw/zinc/90/64/18/939906418.db2.gz VJKPPLXZSVWEEN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCCNC2=O)C1 ZINC001481505956 939906420 /nfs/dbraw/zinc/90/64/20/939906420.db2.gz VJKPPLXZSVWEEN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCCC1 ZINC001481847326 940158721 /nfs/dbraw/zinc/15/87/21/940158721.db2.gz CVJCUFRPUGGNGW-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCn1cc(CC[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)cn1 ZINC001268576483 940251593 /nfs/dbraw/zinc/25/15/93/940251593.db2.gz WAWPDOOUDHEHRJ-DWTRPJMMSA-N 1 3 319.453 0.802 20 0 DCADHO Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O)cc1 ZINC001246006050 945311083 /nfs/dbraw/zinc/31/10/83/945311083.db2.gz GRHSGDUIXXUJKR-ZFWWWQNUSA-N 1 3 309.410 0.307 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001268716560 940339553 /nfs/dbraw/zinc/33/95/53/940339553.db2.gz GSJHEWDBPGFAQO-GOEBONIOSA-N 1 3 321.469 0.931 20 0 DCADHO Cn1cc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cn1 ZINC001270112523 940837862 /nfs/dbraw/zinc/83/78/62/940837862.db2.gz GYPCYNLZVSOCHK-HZPDHXFCSA-N 1 3 319.453 0.637 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001482282857 940887560 /nfs/dbraw/zinc/88/75/60/940887560.db2.gz ADXOSOMTQWZCRJ-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001482282857 940887562 /nfs/dbraw/zinc/88/75/62/940887562.db2.gz ADXOSOMTQWZCRJ-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)CN1 ZINC001246210050 945360699 /nfs/dbraw/zinc/36/06/99/945360699.db2.gz ODOXAEGJNAMUFL-PMXAPFLYSA-N 1 3 314.426 0.386 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001482366115 941023626 /nfs/dbraw/zinc/02/36/26/941023626.db2.gz NZYHCMILQVOGAJ-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482930274 941715863 /nfs/dbraw/zinc/71/58/63/941715863.db2.gz PMPNBFQFDITRJG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482930274 941715867 /nfs/dbraw/zinc/71/58/67/941715867.db2.gz PMPNBFQFDITRJG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483007882 941772814 /nfs/dbraw/zinc/77/28/14/941772814.db2.gz FOZUHUNIOUJLGG-ZQXYTJGRSA-N 1 3 324.469 0.503 20 0 DCADHO CCCNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483007882 941772818 /nfs/dbraw/zinc/77/28/18/941772818.db2.gz FOZUHUNIOUJLGG-ZQXYTJGRSA-N 1 3 324.469 0.503 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001409454858 942003992 /nfs/dbraw/zinc/00/39/92/942003992.db2.gz RDDMQUZZXQSPBA-CYBMUJFWSA-N 1 3 314.474 0.489 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001409570563 942059986 /nfs/dbraw/zinc/05/99/86/942059986.db2.gz GYSXQHQXXYJKQI-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001409570563 942059992 /nfs/dbraw/zinc/05/99/92/942059992.db2.gz GYSXQHQXXYJKQI-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc[nH]c4=O)CC3)[C@H]2C1 ZINC001276328405 942087621 /nfs/dbraw/zinc/08/76/21/942087621.db2.gz QIAZHKVZTZJXJL-KBPBESRZSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc[nH]c4=O)CC3)[C@H]2C1 ZINC001276328405 942087626 /nfs/dbraw/zinc/08/76/26/942087626.db2.gz QIAZHKVZTZJXJL-KBPBESRZSA-N 1 3 316.405 0.429 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483466808 942372839 /nfs/dbraw/zinc/37/28/39/942372839.db2.gz QELRDUIMSHXLLM-UKRRQHHQSA-N 1 3 322.457 0.576 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483466808 942372842 /nfs/dbraw/zinc/37/28/42/942372842.db2.gz QELRDUIMSHXLLM-UKRRQHHQSA-N 1 3 322.457 0.576 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1C[C@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001483494045 942386440 /nfs/dbraw/zinc/38/64/40/942386440.db2.gz ADRGBJHNCZPBNE-BBRMVZONSA-N 1 3 306.410 0.817 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127077705 942440315 /nfs/dbraw/zinc/44/03/15/942440315.db2.gz IDFJYKFPMNJSFG-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127077705 942440316 /nfs/dbraw/zinc/44/03/16/942440316.db2.gz IDFJYKFPMNJSFG-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001483601356 942454615 /nfs/dbraw/zinc/45/46/15/942454615.db2.gz NTFQAHDDJALTJI-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082528 942465491 /nfs/dbraw/zinc/46/54/91/942465491.db2.gz UDIXSRUCHUGHGS-KBPBESRZSA-N 1 3 312.458 0.609 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082528 942465494 /nfs/dbraw/zinc/46/54/94/942465494.db2.gz UDIXSRUCHUGHGS-KBPBESRZSA-N 1 3 312.458 0.609 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001483623183 942559928 /nfs/dbraw/zinc/55/99/28/942559928.db2.gz VSVGACAYGOXTCH-OCCSQVGLSA-N 1 3 321.425 0.305 20 0 DCADHO CC[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001272437861 942755247 /nfs/dbraw/zinc/75/52/47/942755247.db2.gz RIPRFVIMRZEVHH-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CC[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001272437861 942755249 /nfs/dbraw/zinc/75/52/49/942755249.db2.gz RIPRFVIMRZEVHH-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC(=O)N1 ZINC001272525689 942805186 /nfs/dbraw/zinc/80/51/86/942805186.db2.gz XGKUPMZSCGUTQQ-YOEHRIQHSA-N 1 3 322.453 0.284 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001483912915 943020428 /nfs/dbraw/zinc/02/04/28/943020428.db2.gz DOSDTSYLFHSEAV-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001483933586 943034697 /nfs/dbraw/zinc/03/46/97/943034697.db2.gz LFQFPOLTZSMTML-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC1CC1)C(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483942944 943042791 /nfs/dbraw/zinc/04/27/91/943042791.db2.gz OUJZBKZZFWWALY-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCCO)CCOCC1)C1CCC1 ZINC001484183909 943181024 /nfs/dbraw/zinc/18/10/24/943181024.db2.gz OXEJLNQXVDGUEF-UHFFFAOYSA-N 1 3 313.442 0.108 20 0 DCADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCCF)C2)CCC1 ZINC001484223792 943218810 /nfs/dbraw/zinc/21/88/10/943218810.db2.gz OUEFAOCKJFREKK-CQSZACIVSA-N 1 3 301.406 0.383 20 0 DCADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCCF)C2)CCC1 ZINC001484223792 943218815 /nfs/dbraw/zinc/21/88/15/943218815.db2.gz OUEFAOCKJFREKK-CQSZACIVSA-N 1 3 301.406 0.383 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338505 943327444 /nfs/dbraw/zinc/32/74/44/943327444.db2.gz KXXDLRBZTYCWIA-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001484550734 943449925 /nfs/dbraw/zinc/44/99/25/943449925.db2.gz WNBHDKXCNYFWTQ-CQSZACIVSA-N 1 3 322.457 0.485 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484549573 943450375 /nfs/dbraw/zinc/45/03/75/943450375.db2.gz KQEWUNWNQBVWLS-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO Cc1ncc(CNC2(CNC(=O)CC[NH+](C)C)CCC2)cn1 ZINC001484649051 943493096 /nfs/dbraw/zinc/49/30/96/943493096.db2.gz DSNBELCVMPXEOK-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001413588715 943504767 /nfs/dbraw/zinc/50/47/67/943504767.db2.gz FFEQRRPRYDTXHU-WLYUNCDWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001413590747 943508110 /nfs/dbraw/zinc/50/81/10/943508110.db2.gz CGAXCJOFHCULOP-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cnn(C)c2)C1 ZINC001484901270 943617519 /nfs/dbraw/zinc/61/75/19/943617519.db2.gz ACKMNDRHZIIUBK-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cnn(C)c2)C1 ZINC001484901270 943617520 /nfs/dbraw/zinc/61/75/20/943617520.db2.gz ACKMNDRHZIIUBK-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](C(=O)NC1(CO)CC[NH+]([C@H](C)COC)CC1)N(C)C ZINC001485019191 943659082 /nfs/dbraw/zinc/65/90/82/943659082.db2.gz FIFRGBPYSZCNBM-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491025821 943715762 /nfs/dbraw/zinc/71/57/62/943715762.db2.gz OWANKEYDICYRRA-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@]23CCOC3)C1 ZINC001491079531 943736387 /nfs/dbraw/zinc/73/63/87/943736387.db2.gz DERSDIIVONECKB-LJIGWXMPSA-N 1 3 309.454 0.990 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001485214847 943761699 /nfs/dbraw/zinc/76/16/99/943761699.db2.gz IAMSVTGWBMUIFT-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001485451444 943944087 /nfs/dbraw/zinc/94/40/87/943944087.db2.gz VQUAJXHYZMAKJJ-CQSZACIVSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(C)(C)C ZINC001491457339 944010978 /nfs/dbraw/zinc/01/09/78/944010978.db2.gz QDNCVWPBHZPBHB-YNEHKIRRSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(C)(C)C ZINC001491457339 944010989 /nfs/dbraw/zinc/01/09/89/944010989.db2.gz QDNCVWPBHZPBHB-YNEHKIRRSA-N 1 3 312.458 0.336 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491477058 944030620 /nfs/dbraw/zinc/03/06/20/944030620.db2.gz FWGUYGDDBGLVKX-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001491480950 944039824 /nfs/dbraw/zinc/03/98/24/944039824.db2.gz OZXVRSXSHKNBQN-NEPJUHHUSA-N 1 3 310.442 0.232 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NCCF)C1 ZINC001485650558 944053032 /nfs/dbraw/zinc/05/30/32/944053032.db2.gz WXTIJYPBKSPOMW-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NCCF)C1 ZINC001485650558 944053035 /nfs/dbraw/zinc/05/30/35/944053035.db2.gz WXTIJYPBKSPOMW-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)[C@@H](C)C(=O)NC)CC1 ZINC001485765919 944124568 /nfs/dbraw/zinc/12/45/68/944124568.db2.gz RERLBLQTFASILZ-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@@H](C)C(=O)NC)CC1 ZINC001485765919 944124572 /nfs/dbraw/zinc/12/45/72/944124572.db2.gz RERLBLQTFASILZ-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001276454303 944177296 /nfs/dbraw/zinc/17/72/96/944177296.db2.gz VTXJMJVQHUPHKM-UHFFFAOYSA-N 1 3 308.470 0.424 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ncccc4[O-])CC3)[C@H]2C1 ZINC001276591595 944228274 /nfs/dbraw/zinc/22/82/74/944228274.db2.gz RHVZERPTEHRXAP-STQMWFEESA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ncccc4[O-])CC3)[C@H]2C1 ZINC001276591595 944228280 /nfs/dbraw/zinc/22/82/80/944228280.db2.gz RHVZERPTEHRXAP-STQMWFEESA-N 1 3 316.405 0.429 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ncccc4O)CC3)[C@H]2C1 ZINC001276591595 944228293 /nfs/dbraw/zinc/22/82/93/944228293.db2.gz RHVZERPTEHRXAP-STQMWFEESA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ncccc4O)CC3)[C@H]2C1 ZINC001276591595 944228298 /nfs/dbraw/zinc/22/82/98/944228298.db2.gz RHVZERPTEHRXAP-STQMWFEESA-N 1 3 316.405 0.429 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cccc(N)c4)CC3)[C@@H]2C1 ZINC001276861655 944331568 /nfs/dbraw/zinc/33/15/68/944331568.db2.gz RGXHGQQMHNQPKJ-HZPDHXFCSA-N 1 3 314.433 0.911 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cccc(N)c4)CC3)[C@@H]2C1 ZINC001276861655 944331576 /nfs/dbraw/zinc/33/15/76/944331576.db2.gz RGXHGQQMHNQPKJ-HZPDHXFCSA-N 1 3 314.433 0.911 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NCc2ccccc2)CC1 ZINC001486025775 944487079 /nfs/dbraw/zinc/48/70/79/944487079.db2.gz BLGXGNUENOHKKI-HNNXBMFYSA-N 1 3 305.422 0.595 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001316915293 944644280 /nfs/dbraw/zinc/64/42/80/944644280.db2.gz WEAVKTHASBTXTK-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001316915293 944644283 /nfs/dbraw/zinc/64/42/83/944644283.db2.gz WEAVKTHASBTXTK-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCCO)N1CCCCCC1 ZINC001486301985 944745751 /nfs/dbraw/zinc/74/57/51/944745751.db2.gz BENVDARRRKKDAH-GJZGRUSLSA-N 1 3 315.458 0.042 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001317066347 944771831 /nfs/dbraw/zinc/77/18/31/944771831.db2.gz NLKMHMVCNRYIEZ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246627761 945446877 /nfs/dbraw/zinc/44/68/77/945446877.db2.gz XGARKXNOYRENGA-OAGGEKHMSA-N 1 3 303.406 0.927 20 0 DCADHO O=C1NCCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C12CNC2 ZINC001246636609 945449670 /nfs/dbraw/zinc/44/96/70/945449670.db2.gz ONJFMLRZIPFEKN-HOTGVXAUSA-N 1 3 314.433 0.124 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21)N1CCCC1 ZINC001246710254 945466537 /nfs/dbraw/zinc/46/65/37/945466537.db2.gz NCHKTAYGJJKCNA-INMHGKMJSA-N 1 3 321.465 0.945 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21)N1CCCC1 ZINC001246710254 945466542 /nfs/dbraw/zinc/46/65/42/945466542.db2.gz NCHKTAYGJJKCNA-INMHGKMJSA-N 1 3 321.465 0.945 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CCN1 ZINC001246719842 945471897 /nfs/dbraw/zinc/47/18/97/945471897.db2.gz CNIJTNBJQTVJND-YIDVYQOGSA-N 1 3 323.437 0.218 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CCN1 ZINC001246719842 945471901 /nfs/dbraw/zinc/47/19/01/945471901.db2.gz CNIJTNBJQTVJND-YIDVYQOGSA-N 1 3 323.437 0.218 20 0 DCADHO C[C@H]1C[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CC[NH2+]1 ZINC001246761422 945483847 /nfs/dbraw/zinc/48/38/47/945483847.db2.gz SLPLGXGBNXHRAM-WCQYABFASA-N 1 3 317.437 0.982 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[NH+]([C@@H]3CCCNC3)C[C@H]2C1 ZINC001246765187 945486731 /nfs/dbraw/zinc/48/67/31/945486731.db2.gz IHBASLLYBCVJRE-HRCADAONSA-N 1 3 300.406 0.837 20 0 DCADHO CCOCc1noc2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246762551 945486783 /nfs/dbraw/zinc/48/67/83/945486783.db2.gz GSVHFBOEIMRCKY-GFCCVEGCSA-N 1 3 306.410 0.663 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+]([C@@H]3CCCN(C)CC3)C[C@H]1CNCC2 ZINC001246856327 945505840 /nfs/dbraw/zinc/50/58/40/945505840.db2.gz DNTZRIQWCCLMGA-BFYDXBDKSA-N 1 3 309.454 0.945 20 0 DCADHO CCOC(=O)[C@]12C[N@H+]([C@@H]3CCCN(C)CC3)C[C@H]1CNCC2 ZINC001246856327 945505845 /nfs/dbraw/zinc/50/58/45/945505845.db2.gz DNTZRIQWCCLMGA-BFYDXBDKSA-N 1 3 309.454 0.945 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246889262 945513530 /nfs/dbraw/zinc/51/35/30/945513530.db2.gz WNMGVSWPAYGJSA-HOTGVXAUSA-N 1 3 324.469 0.040 20 0 DCADHO Cc1ccnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246957842 945526043 /nfs/dbraw/zinc/52/60/43/945526043.db2.gz CXOHSMRAPYHQFV-CQSZACIVSA-N 1 3 302.426 0.001 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CN1 ZINC001246977900 945534614 /nfs/dbraw/zinc/53/46/14/945534614.db2.gz RMEQLMFOASUXEH-UKPHBRMFSA-N 1 3 324.469 0.168 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001319594827 945626592 /nfs/dbraw/zinc/62/65/92/945626592.db2.gz XDJHWVLLSTXURP-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)[C@@H](C)C1 ZINC001319712137 945653031 /nfs/dbraw/zinc/65/30/31/945653031.db2.gz QFJNADDPMZKYSA-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC[NH2+]CCCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001320694649 945984617 /nfs/dbraw/zinc/98/46/17/945984617.db2.gz STPPAHPEDOTISH-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001320829583 946030157 /nfs/dbraw/zinc/03/01/57/946030157.db2.gz FMAHFJYBINLREJ-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320890810 946057347 /nfs/dbraw/zinc/05/73/47/946057347.db2.gz AEQOWHUIAQOQFK-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320890810 946057361 /nfs/dbraw/zinc/05/73/61/946057361.db2.gz AEQOWHUIAQOQFK-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001410229466 946066144 /nfs/dbraw/zinc/06/61/44/946066144.db2.gz JDNVEOUAYPLGGY-XDQVBPFNSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)NC(=O)N1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253409562 946117607 /nfs/dbraw/zinc/11/76/07/946117607.db2.gz WASXQBPELRZRBG-AWEZNQCLSA-N 1 3 314.474 0.907 20 0 DCADHO CC(C)NC(=O)N1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253409562 946117616 /nfs/dbraw/zinc/11/76/16/946117616.db2.gz WASXQBPELRZRBG-AWEZNQCLSA-N 1 3 314.474 0.907 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001410319186 946179158 /nfs/dbraw/zinc/17/91/58/946179158.db2.gz AYJGCMSBFGSRAV-CVEARBPZSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001410319186 946179166 /nfs/dbraw/zinc/17/91/66/946179166.db2.gz AYJGCMSBFGSRAV-CVEARBPZSA-N 1 3 319.453 0.698 20 0 DCADHO COc1cccc(OC[C@H](O)CNCCC[N@H+](C)CCO)c1 ZINC001253987069 946216158 /nfs/dbraw/zinc/21/61/58/946216158.db2.gz RCDYZJDCFIQZSX-CQSZACIVSA-N 1 3 312.410 0.339 20 0 DCADHO COc1cccc(OC[C@H](O)CNCCC[N@@H+](C)CCO)c1 ZINC001253987069 946216167 /nfs/dbraw/zinc/21/61/67/946216167.db2.gz RCDYZJDCFIQZSX-CQSZACIVSA-N 1 3 312.410 0.339 20 0 DCADHO C[C@@H](O)[C@@H](CO)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254029350 946224170 /nfs/dbraw/zinc/22/41/70/946224170.db2.gz IIBWTPVKJJGBKH-GDBMZVCRSA-N 1 3 308.422 0.345 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001321336026 946281342 /nfs/dbraw/zinc/28/13/42/946281342.db2.gz IZALUEPKGNIWJQ-NMEQGOOXSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001321336026 946281347 /nfs/dbraw/zinc/28/13/47/946281347.db2.gz IZALUEPKGNIWJQ-NMEQGOOXSA-N 1 3 322.453 0.257 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254866551 946442452 /nfs/dbraw/zinc/44/24/52/946442452.db2.gz ALUZISHVWLVOSY-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC3CCN(CC3)C2)C1 ZINC001254866551 946442461 /nfs/dbraw/zinc/44/24/61/946442461.db2.gz ALUZISHVWLVOSY-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC3CCN(CC3)C2)C1 ZINC001254866551 946442472 /nfs/dbraw/zinc/44/24/72/946442472.db2.gz ALUZISHVWLVOSY-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO CN1CC[C@H](N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)c2ncccn2)C1 ZINC001255432333 946504572 /nfs/dbraw/zinc/50/45/72/946504572.db2.gz PZFYNIRMAJWZSI-VGWMRTNUSA-N 1 3 317.437 0.612 20 0 DCADHO CC(C)NC(=O)c1nn([C@@H]2CCC[N@H+](C)C2)c2c1CNCC2 ZINC001255484703 946515451 /nfs/dbraw/zinc/51/54/51/946515451.db2.gz CLHCVCYYRHSQQZ-GFCCVEGCSA-N 1 3 305.426 0.934 20 0 DCADHO CC(C)NC(=O)c1nn([C@@H]2CCC[N@@H+](C)C2)c2c1CNCC2 ZINC001255484703 946515460 /nfs/dbraw/zinc/51/54/60/946515460.db2.gz CLHCVCYYRHSQQZ-GFCCVEGCSA-N 1 3 305.426 0.934 20 0 DCADHO CCOC(=O)N1CC[C@@H]([NH+]2CCC(N3CCN(C)CC3)CC2)C1 ZINC001256036507 946574321 /nfs/dbraw/zinc/57/43/21/946574321.db2.gz XCDAFZQHIPVGRW-MRXNPFEDSA-N 1 3 324.469 0.929 20 0 DCADHO Cc1noc(CCC[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001322442908 946679845 /nfs/dbraw/zinc/67/98/45/946679845.db2.gz PVQFZSLVQLYEMY-CQSZACIVSA-N 1 3 323.441 0.843 20 0 DCADHO CN1CC[C@@H]2C[N@@H+](C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257235494 946716711 /nfs/dbraw/zinc/71/67/11/946716711.db2.gz AOMASUFTTBOPBH-OLZOCXBDSA-N 1 3 301.456 0.294 20 0 DCADHO CN1CC[C@@H]2C[N@H+](C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257235494 946716724 /nfs/dbraw/zinc/71/67/24/946716724.db2.gz AOMASUFTTBOPBH-OLZOCXBDSA-N 1 3 301.456 0.294 20 0 DCADHO COC(=O)[C@@H]1CC[C@H]([N@H+](C)C[C@@H](C)CN)C[C@H]1C(=O)OC ZINC001257725207 946758138 /nfs/dbraw/zinc/75/81/38/946758138.db2.gz BIHSTYQCNLQTLA-WUHRBBMRSA-N 1 3 300.399 0.644 20 0 DCADHO COC(=O)[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](C)CN)C[C@H]1C(=O)OC ZINC001257725207 946758146 /nfs/dbraw/zinc/75/81/46/946758146.db2.gz BIHSTYQCNLQTLA-WUHRBBMRSA-N 1 3 300.399 0.644 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](N(C)C[C@@H](C)C[NH3+])C[C@H]1C(=O)OC ZINC001257725207 946758151 /nfs/dbraw/zinc/75/81/51/946758151.db2.gz BIHSTYQCNLQTLA-WUHRBBMRSA-N 1 3 300.399 0.644 20 0 DCADHO Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001410726493 946847895 /nfs/dbraw/zinc/84/78/95/946847895.db2.gz OHVPEGFHNRRFDV-DOTOQJQBSA-N 1 3 319.449 0.904 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CCC[NH+](C)C ZINC001410847799 947023642 /nfs/dbraw/zinc/02/36/42/947023642.db2.gz FVHZVSMPMXLCPK-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001410963702 947168242 /nfs/dbraw/zinc/16/82/42/947168242.db2.gz CTMXGIOZKHTHHF-STQMWFEESA-N 1 3 324.469 0.432 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001411233698 947520533 /nfs/dbraw/zinc/52/05/33/947520533.db2.gz HEAYGTHYWIUFSL-WUCCLRPBSA-N 1 3 315.458 0.159 20 0 DCADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001411252336 947542137 /nfs/dbraw/zinc/54/21/37/947542137.db2.gz MJJOAQCPWHPDIZ-GRTSSRMGSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534959 947856722 /nfs/dbraw/zinc/85/67/22/947856722.db2.gz ZVYQIABAJNXJPP-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179539365 947866232 /nfs/dbraw/zinc/86/62/32/947866232.db2.gz VYZROHFQXKHYIP-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001179586451 947870503 /nfs/dbraw/zinc/87/05/03/947870503.db2.gz OWJZKIBVZPPUTM-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO CN1CCN(CCCN2C[C@]3(CC2=O)CCCC[N@@H+]3C)CC1 ZINC001273516880 947938071 /nfs/dbraw/zinc/93/80/71/947938071.db2.gz HFTAGLHDSJDDBA-QGZVFWFLSA-N 1 3 308.470 0.711 20 0 DCADHO CN1CCN(CCCN2C[C@]3(CC2=O)CCCC[N@H+]3C)CC1 ZINC001273516880 947938078 /nfs/dbraw/zinc/93/80/78/947938078.db2.gz HFTAGLHDSJDDBA-QGZVFWFLSA-N 1 3 308.470 0.711 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CC(N)=O ZINC001263958493 948814498 /nfs/dbraw/zinc/81/44/98/948814498.db2.gz NYBZISRLJQVSFC-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC001328383555 948867102 /nfs/dbraw/zinc/86/71/02/948867102.db2.gz BSITWZYOPBETEW-OKILXGFUSA-N 1 3 312.458 0.053 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H](C)C(=O)NC ZINC001495068982 949291762 /nfs/dbraw/zinc/29/17/62/949291762.db2.gz OAKHRXLNASPCMH-OCCSQVGLSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001489853355 950180743 /nfs/dbraw/zinc/18/07/43/950180743.db2.gz JQQIGBVYOXBDMZ-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H](C)C(=O)N(C)C ZINC001266028021 950270770 /nfs/dbraw/zinc/27/07/70/950270770.db2.gz GKHISWXMWNKPIF-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H](C)C(=O)N(C)C ZINC001266028021 950270790 /nfs/dbraw/zinc/27/07/90/950270790.db2.gz GKHISWXMWNKPIF-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001266032224 950274245 /nfs/dbraw/zinc/27/42/45/950274245.db2.gz TWOJEIZFESRYBR-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C1CCC1)[C@@H]1CCN(C)C1=O ZINC001490331676 950585422 /nfs/dbraw/zinc/58/54/22/950585422.db2.gz WUANOANRLNJWCP-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)[C@@H]1CCN(C)C1=O ZINC001490331676 950585439 /nfs/dbraw/zinc/58/54/39/950585439.db2.gz WUANOANRLNJWCP-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2ccnn2C)C2CC2)C1 ZINC001490708856 951025053 /nfs/dbraw/zinc/02/50/53/951025053.db2.gz FBTVDBDZMPGVDI-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001280678558 951032210 /nfs/dbraw/zinc/03/22/10/951032210.db2.gz ALDKFRDBOBZLSZ-MUBLQREKSA-N 1 3 303.834 0.896 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC001490725810 951040479 /nfs/dbraw/zinc/04/04/79/951040479.db2.gz ANJILVJUCDITQZ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC001490725810 951040494 /nfs/dbraw/zinc/04/04/94/951040494.db2.gz ANJILVJUCDITQZ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](NCC(=O)NC)C2CC2)C1 ZINC001490698684 951053512 /nfs/dbraw/zinc/05/35/12/951053512.db2.gz KFAYZDLKYDXWIA-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](NCC(=O)NC)C2CC2)C1 ZINC001490698684 951053522 /nfs/dbraw/zinc/05/35/22/951053522.db2.gz KFAYZDLKYDXWIA-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CO)[C@H]1C ZINC001365416879 951102232 /nfs/dbraw/zinc/10/22/32/951102232.db2.gz VSFLLHNTAKMOFS-RRFJBIMHSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CO)[C@H]1C ZINC001365416879 951102239 /nfs/dbraw/zinc/10/22/39/951102239.db2.gz VSFLLHNTAKMOFS-RRFJBIMHSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)CN1CCCC1 ZINC001331941095 951399369 /nfs/dbraw/zinc/39/93/69/951399369.db2.gz URFUQUBKQONDJM-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(N)n1 ZINC001274159898 951451432 /nfs/dbraw/zinc/45/14/32/951451432.db2.gz YPMCXWRKVYWGDQ-HUUCEWRRSA-N 1 3 317.437 0.791 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001274340540 951572241 /nfs/dbraw/zinc/57/22/41/951572241.db2.gz UJLFOMIXBVZKHC-WLBISTCBSA-N 1 3 324.469 0.455 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001365815450 951575700 /nfs/dbraw/zinc/57/57/00/951575700.db2.gz YHBKAGXRORRLNN-OKILXGFUSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001365817114 951579745 /nfs/dbraw/zinc/57/97/45/951579745.db2.gz FTEKNKZOIZELDQ-BARDWOONSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C[C@H](O)C[NH2+]CCC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001332575558 951701737 /nfs/dbraw/zinc/70/17/37/951701737.db2.gz QQMQNBFNKPCNGC-OAHLLOKOSA-N 1 3 308.426 0.941 20 0 DCADHO COCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001275073083 951948115 /nfs/dbraw/zinc/94/81/15/951948115.db2.gz YDQHHTYDUCLJPI-NVXWUHKLSA-N 1 3 305.422 0.956 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(CCCC3OCCO3)C[C@H]21 ZINC001275999640 952605323 /nfs/dbraw/zinc/60/53/23/952605323.db2.gz GSTJKTYXTJBSQG-CABCVRRESA-N 1 3 313.442 0.086 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC001336732132 952758153 /nfs/dbraw/zinc/75/81/53/952758153.db2.gz AOFFSDOUYFQQLS-SFHVURJKSA-N 1 3 321.465 0.791 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC001337403390 952853720 /nfs/dbraw/zinc/85/37/20/952853720.db2.gz QJEAPTQBLKKHNZ-QGZVFWFLSA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CC[C@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001412540745 952880192 /nfs/dbraw/zinc/88/01/92/952880192.db2.gz JXKRVWXATXXGOI-HOTGVXAUSA-N 1 3 308.470 0.708 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001276227372 953015840 /nfs/dbraw/zinc/01/58/40/953015840.db2.gz RAABCMQEHDXWMO-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1ccnn1C)CC2 ZINC001276281932 953048109 /nfs/dbraw/zinc/04/81/09/953048109.db2.gz YXHNPSWMIBRAGF-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1ccnn1C)CC2 ZINC001276281932 953048115 /nfs/dbraw/zinc/04/81/15/953048115.db2.gz YXHNPSWMIBRAGF-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001340119235 953145787 /nfs/dbraw/zinc/14/57/87/953145787.db2.gz CLTCMTYUVKAMGR-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)CC1 ZINC001341627226 953241551 /nfs/dbraw/zinc/24/15/51/953241551.db2.gz NADMXOZBCICJCN-BRWVUGGUSA-N 1 3 322.497 0.908 20 0 DCADHO C[C@@H]1CCN(C(=O)CNCC[NH3+])CCN1Cc1ccccc1 ZINC001343444102 953347288 /nfs/dbraw/zinc/34/72/88/953347288.db2.gz DAUUSXLSYAPVJT-OAHLLOKOSA-N 1 3 304.438 0.658 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCCCC1 ZINC001366040129 953615184 /nfs/dbraw/zinc/61/51/84/953615184.db2.gz HJNCLQNSCFRLFQ-AWEZNQCLSA-N 1 3 324.469 0.468 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366093024 953674566 /nfs/dbraw/zinc/67/45/66/953674566.db2.gz MPBFDTQYQFXGSE-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001366207137 953822558 /nfs/dbraw/zinc/82/25/58/953822558.db2.gz SCFAGNGERYIXKK-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO Cn1cnnc1CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001346212878 953824327 /nfs/dbraw/zinc/82/43/27/953824327.db2.gz HQOQOXBZYMVUMR-QGZVFWFLSA-N 1 3 315.421 0.584 20 0 DCADHO Cn1cnnc1CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001346212878 953824342 /nfs/dbraw/zinc/82/43/42/953824342.db2.gz HQOQOXBZYMVUMR-QGZVFWFLSA-N 1 3 315.421 0.584 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001366207539 953826647 /nfs/dbraw/zinc/82/66/47/953826647.db2.gz TWDVSCDMGSRGFH-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001366279665 953946330 /nfs/dbraw/zinc/94/63/30/953946330.db2.gz UYKAOOSBNLSAEC-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001366279665 953946341 /nfs/dbraw/zinc/94/63/41/953946341.db2.gz UYKAOOSBNLSAEC-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCCC1 ZINC001366359224 954093276 /nfs/dbraw/zinc/09/32/76/954093276.db2.gz RMERSNSKPMEKQG-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCCC1 ZINC001366359224 954093290 /nfs/dbraw/zinc/09/32/90/954093290.db2.gz RMERSNSKPMEKQG-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CCC[NH2+][C@@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001283184418 954110230 /nfs/dbraw/zinc/11/02/30/954110230.db2.gz BABGLQWKRAYCBI-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366394002 954145658 /nfs/dbraw/zinc/14/56/58/954145658.db2.gz NJBHIBWDPWKZOU-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001366408279 954164124 /nfs/dbraw/zinc/16/41/24/954164124.db2.gz LWNHHFORHYLJRB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001366416681 954172846 /nfs/dbraw/zinc/17/28/46/954172846.db2.gz PGBIVIZEXGMHIB-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001283321738 954254006 /nfs/dbraw/zinc/25/40/06/954254006.db2.gz IUFAKKKHUSIBBU-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001283321738 954254015 /nfs/dbraw/zinc/25/40/15/954254015.db2.gz IUFAKKKHUSIBBU-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001366502684 954287061 /nfs/dbraw/zinc/28/70/61/954287061.db2.gz APYLOLKOHZFVPQ-HIFRSBDPSA-N 1 3 322.453 0.710 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C(C)C)C1=O)N(C)C ZINC001366771509 954819329 /nfs/dbraw/zinc/81/93/29/954819329.db2.gz DZJATRNIQQZMTF-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCCN(C)CC(=O)NCC1C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001366986460 955157290 /nfs/dbraw/zinc/15/72/90/955157290.db2.gz RZKZYBRVIPXSIE-WBVHZDCISA-N 1 3 309.454 0.803 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC2CC2)CC1 ZINC001367201478 955456701 /nfs/dbraw/zinc/45/67/01/955456701.db2.gz XDBDSRHZYLBXBS-CTYIDZIISA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001367203440 955459847 /nfs/dbraw/zinc/45/98/47/955459847.db2.gz RJLQNCGVEDBTNI-TUVASFSCSA-N 1 3 315.458 0.351 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1nccn1C ZINC001367244102 955515366 /nfs/dbraw/zinc/51/53/66/955515366.db2.gz QCBVXQCAWNFIAU-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001367321114 955642108 /nfs/dbraw/zinc/64/21/08/955642108.db2.gz VQAXRMLOJPYZJF-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001367323736 955645194 /nfs/dbraw/zinc/64/51/94/955645194.db2.gz KKLLTSXNISXQNA-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001367335698 955657922 /nfs/dbraw/zinc/65/79/22/955657922.db2.gz JYKGDKAPOBAZRF-UHFFFAOYSA-N 1 3 309.454 0.899 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001480460540 956002014 /nfs/dbraw/zinc/00/20/14/956002014.db2.gz VTRCLOZJHDKGTQ-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001294785023 957590452 /nfs/dbraw/zinc/59/04/52/957590452.db2.gz OSVSNYMJSQKKRZ-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001367358153 957713301 /nfs/dbraw/zinc/71/33/01/957713301.db2.gz OVJYMJZCYWTZNN-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001367358153 957713307 /nfs/dbraw/zinc/71/33/07/957713307.db2.gz OVJYMJZCYWTZNN-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO COc1ccc(CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C)cn1 ZINC001367381553 957746619 /nfs/dbraw/zinc/74/66/19/957746619.db2.gz ZIANZQUKKRCXBQ-CYBMUJFWSA-N 1 3 308.426 0.978 20 0 DCADHO COc1ccc(CNC[C@H](C)N(C)C(=O)CC[NH+](C)C)cn1 ZINC001367381556 957746807 /nfs/dbraw/zinc/74/68/07/957746807.db2.gz ZIANZQUKKRCXBQ-ZDUSSCGKSA-N 1 3 308.426 0.978 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001367486424 957879874 /nfs/dbraw/zinc/87/98/74/957879874.db2.gz NKIFCTYDOOMENM-GDBMZVCRSA-N 1 3 321.469 0.992 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CCc2ccnn2C)CCC1 ZINC001367513174 957934362 /nfs/dbraw/zinc/93/43/62/957934362.db2.gz CMZDRFSMAWAOPA-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CCc2ccnn2C)CCC1 ZINC001367513174 957934375 /nfs/dbraw/zinc/93/43/75/957934375.db2.gz CMZDRFSMAWAOPA-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001367679143 958343214 /nfs/dbraw/zinc/34/32/14/958343214.db2.gz ZSSATJFIQXYTGH-DOMZBBRYSA-N 1 3 307.442 0.966 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367678260 958343622 /nfs/dbraw/zinc/34/36/22/958343622.db2.gz SACALDKGHMCVBM-DOMZBBRYSA-N 1 3 309.458 0.909 20 0 DCADHO Cc1nccn1CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001362074263 958693793 /nfs/dbraw/zinc/69/37/93/958693793.db2.gz NTSMPOIHCMCBGW-AWEZNQCLSA-N 1 3 305.426 0.476 20 0 DCADHO Cc1nccn1CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001362074263 958693795 /nfs/dbraw/zinc/69/37/95/958693795.db2.gz NTSMPOIHCMCBGW-AWEZNQCLSA-N 1 3 305.426 0.476 20 0 DCADHO Cc1nccn1CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001362074263 958693817 /nfs/dbraw/zinc/69/38/17/958693817.db2.gz NTSMPOIHCMCBGW-AWEZNQCLSA-N 1 3 305.426 0.476 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccnn1C)C1CC1)N(C)C ZINC001367918756 958861132 /nfs/dbraw/zinc/86/11/32/958861132.db2.gz IAKYYFVQLORMLO-CABCVRRESA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NCc1ccnn1C ZINC001491625754 958963177 /nfs/dbraw/zinc/96/31/77/958963177.db2.gz QELBBEFRIAGIDV-CYBMUJFWSA-N 1 3 323.441 0.125 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001491604661 959028397 /nfs/dbraw/zinc/02/83/97/959028397.db2.gz ZWDJGENRLNNSBJ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001491604661 959028412 /nfs/dbraw/zinc/02/84/12/959028412.db2.gz ZWDJGENRLNNSBJ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001491704548 959061258 /nfs/dbraw/zinc/06/12/58/959061258.db2.gz FFUJVAGUAUKVMG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001376914784 959128539 /nfs/dbraw/zinc/12/85/39/959128539.db2.gz LTHFYYSDNFBFET-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001376915166 959129412 /nfs/dbraw/zinc/12/94/12/959129412.db2.gz RDKONBBNYYKEEE-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001376941041 959179019 /nfs/dbraw/zinc/17/90/19/959179019.db2.gz MEAZDSSPLSJLGU-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376965659 959216393 /nfs/dbraw/zinc/21/63/93/959216393.db2.gz NWCMTQVBLTZBCQ-QWHCGFSZSA-N 1 3 321.425 0.305 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001376996908 959283406 /nfs/dbraw/zinc/28/34/06/959283406.db2.gz ANWZXDBPCDBOIW-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001376996908 959283423 /nfs/dbraw/zinc/28/34/23/959283423.db2.gz ANWZXDBPCDBOIW-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001368127239 959290380 /nfs/dbraw/zinc/29/03/80/959290380.db2.gz GWBZNQGPLYCAKM-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001491850629 959303782 /nfs/dbraw/zinc/30/37/82/959303782.db2.gz VRGHMWVLOODOJN-JKSUJKDBSA-N 1 3 321.469 0.907 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001491901503 959366619 /nfs/dbraw/zinc/36/66/19/959366619.db2.gz YTUBCJXKQHGDKG-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001491901503 959366636 /nfs/dbraw/zinc/36/66/36/959366636.db2.gz YTUBCJXKQHGDKG-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2cnns2)C1 ZINC001368175423 959407641 /nfs/dbraw/zinc/40/76/41/959407641.db2.gz WAJWMIOREVAXKQ-DZGCQCFKSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCO[C@H]2CC2(F)F)CC[N@@H+]1C ZINC001377158786 959594834 /nfs/dbraw/zinc/59/48/34/959594834.db2.gz AVLDJHMDXODRRQ-UPJWGTAASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCO[C@H]2CC2(F)F)CC[N@H+]1C ZINC001377158786 959594849 /nfs/dbraw/zinc/59/48/49/959594849.db2.gz AVLDJHMDXODRRQ-UPJWGTAASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccn(C)n1 ZINC001492110988 959595145 /nfs/dbraw/zinc/59/51/45/959595145.db2.gz XWYPFWRRDHRDML-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccn(C)n1 ZINC001492110988 959595164 /nfs/dbraw/zinc/59/51/64/959595164.db2.gz XWYPFWRRDHRDML-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO COC[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377276143 959841129 /nfs/dbraw/zinc/84/11/29/959841129.db2.gz SWIKYIGDBLQBJM-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001368504934 959951404 /nfs/dbraw/zinc/95/14/04/959951404.db2.gz LQTAOHHREVZXNA-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001368527243 959984883 /nfs/dbraw/zinc/98/48/83/959984883.db2.gz TXRAKSJQFBMIPU-HZSPNIEDSA-N 1 3 308.430 0.103 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1CCN1CCCC1=O ZINC001377393116 960020118 /nfs/dbraw/zinc/02/01/18/960020118.db2.gz NMYJRXOCYYNHSP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001368668037 960141578 /nfs/dbraw/zinc/14/15/78/960141578.db2.gz PRPFXOAETGFOMV-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001368737955 960213814 /nfs/dbraw/zinc/21/38/14/960213814.db2.gz UPYHERBDNGEXGV-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001377745859 960558677 /nfs/dbraw/zinc/55/86/77/960558677.db2.gz FZAHVZSKYHSXSN-BFHYXJOUSA-N 1 3 314.474 0.534 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)Cc1nc[nH]c1C ZINC001378463704 960793739 /nfs/dbraw/zinc/79/37/39/960793739.db2.gz FLHCOHASAJZUDV-CYBMUJFWSA-N 1 3 321.425 0.320 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)Cc1nc[nH]c1C ZINC001378463704 960793756 /nfs/dbraw/zinc/79/37/56/960793756.db2.gz FLHCOHASAJZUDV-CYBMUJFWSA-N 1 3 321.425 0.320 20 0 DCADHO Cc1nc(CN[C@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001377845351 960795993 /nfs/dbraw/zinc/79/59/93/960795993.db2.gz ZTTFEYOCZSRSGY-MNOVXSKESA-N 1 3 308.430 0.438 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001377861881 960840596 /nfs/dbraw/zinc/84/05/96/960840596.db2.gz AHZRUDDRFUFYEA-CQSZACIVSA-N 1 3 307.442 0.495 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001377877093 960879969 /nfs/dbraw/zinc/87/99/69/960879969.db2.gz FFNDKPVUDKBYAV-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001378544096 960977194 /nfs/dbraw/zinc/97/71/94/960977194.db2.gz JXZBNCYVYMLFJA-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001378544096 960977210 /nfs/dbraw/zinc/97/72/10/960977210.db2.gz JXZBNCYVYMLFJA-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO Cn1nccc1CCN1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001378649543 961195901 /nfs/dbraw/zinc/19/59/01/961195901.db2.gz GCGLKYOXMXRDGG-OAHLLOKOSA-N 1 3 321.469 0.741 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC001378736172 961370083 /nfs/dbraw/zinc/37/00/83/961370083.db2.gz ZXSMAFOYBUPAMQ-PHZGNYQRSA-N 1 3 302.422 0.827 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001430212894 1013252120 /nfs/dbraw/zinc/25/21/20/1013252120.db2.gz VLXJJWNYDPGQNF-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001430212894 1013252125 /nfs/dbraw/zinc/25/21/25/1013252125.db2.gz VLXJJWNYDPGQNF-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001378807090 961516345 /nfs/dbraw/zinc/51/63/45/961516345.db2.gz SYOKQMAKEMBSML-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CCn1cc(CCN2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cn1 ZINC001378162259 961566847 /nfs/dbraw/zinc/56/68/47/961566847.db2.gz BWGCRRSIPJGYNH-INIZCTEOSA-N 1 3 321.469 0.930 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C(C)C ZINC001378853424 961608241 /nfs/dbraw/zinc/60/82/41/961608241.db2.gz BLKOCEDVWHKGFN-CQSZACIVSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001378877929 961645901 /nfs/dbraw/zinc/64/59/01/961645901.db2.gz DLILFQHGIYDVDI-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001378999767 961835561 /nfs/dbraw/zinc/83/55/61/961835561.db2.gz NQBOKSKMFYWTQJ-TZMCWYRMSA-N 1 3 300.447 0.049 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NC)C1 ZINC001379145980 962195695 /nfs/dbraw/zinc/19/56/95/962195695.db2.gz DLAVPXNUBJIPBK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NC)C1 ZINC001379145980 962195701 /nfs/dbraw/zinc/19/57/01/962195701.db2.gz DLAVPXNUBJIPBK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001379151394 962206734 /nfs/dbraw/zinc/20/67/34/962206734.db2.gz UMUSVAZMSKQEDI-QWHCGFSZSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)CC[C@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001379970249 962420838 /nfs/dbraw/zinc/42/08/38/962420838.db2.gz YNTFUWLPVPKFNO-HUUCEWRRSA-N 1 3 324.425 0.272 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)CC[C@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001379970249 962420851 /nfs/dbraw/zinc/42/08/51/962420851.db2.gz YNTFUWLPVPKFNO-HUUCEWRRSA-N 1 3 324.425 0.272 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CN(C)CC(C)(C)C ZINC001379413703 962872665 /nfs/dbraw/zinc/87/26/65/962872665.db2.gz CZJJLXMSVDVWNW-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001364344761 962931933 /nfs/dbraw/zinc/93/19/33/962931933.db2.gz FZIVLIXBOZGVGL-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001364344761 962931942 /nfs/dbraw/zinc/93/19/42/962931942.db2.gz FZIVLIXBOZGVGL-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001379463770 962977080 /nfs/dbraw/zinc/97/70/80/962977080.db2.gz GJFGTTXVKXAGIM-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001379469519 962991261 /nfs/dbraw/zinc/99/12/61/962991261.db2.gz NQCQMGIDQQETOM-KRWDZBQOSA-N 1 3 319.449 0.904 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)NCC1CC1 ZINC001380292643 963003465 /nfs/dbraw/zinc/00/34/65/963003465.db2.gz UUZQAMZYOOVMLO-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379515873 963110845 /nfs/dbraw/zinc/11/08/45/963110845.db2.gz NETLRWUHEWALMN-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379515873 963110853 /nfs/dbraw/zinc/11/08/53/963110853.db2.gz NETLRWUHEWALMN-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379517205 963110976 /nfs/dbraw/zinc/11/09/76/963110976.db2.gz XLPDJQZWBFRDEX-IACUBPJLSA-N 1 3 322.457 0.541 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379517205 963110980 /nfs/dbraw/zinc/11/09/80/963110980.db2.gz XLPDJQZWBFRDEX-IACUBPJLSA-N 1 3 322.457 0.541 20 0 DCADHO CCCC[C@H](C(N)=O)N1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380378225 963130082 /nfs/dbraw/zinc/13/00/82/963130082.db2.gz PJGPJEGTWPPDGE-RHSMWYFYSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001379555150 963174692 /nfs/dbraw/zinc/17/46/92/963174692.db2.gz ZJFVPJYNMBAWER-MJBXVCDLSA-N 1 3 314.474 0.676 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001379564774 963187755 /nfs/dbraw/zinc/18/77/55/963187755.db2.gz HCLLLNNIXGZQMD-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001379586908 963222925 /nfs/dbraw/zinc/22/29/25/963222925.db2.gz KRZRRBHNSZUJMT-WPRPVWTQSA-N 1 3 322.331 0.668 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001379601237 963246444 /nfs/dbraw/zinc/24/64/44/963246444.db2.gz PINYRJHSHWJVQK-UONOGXRCSA-N 1 3 314.474 0.676 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cncn1C ZINC001379603523 963255194 /nfs/dbraw/zinc/25/51/94/963255194.db2.gz ZXSVAXIDNDVQTP-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001379609008 963260050 /nfs/dbraw/zinc/26/00/50/963260050.db2.gz XBYKVVCYYOIJLA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001380676477 963481971 /nfs/dbraw/zinc/48/19/71/963481971.db2.gz LQFNKGZINLRVMJ-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](CC)C(N)=O ZINC001380838396 963622852 /nfs/dbraw/zinc/62/28/52/963622852.db2.gz DVRQXHUDVXCMCT-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001380844989 963628849 /nfs/dbraw/zinc/62/88/49/963628849.db2.gz VHCKQQVASUTIPO-LLVKDONJSA-N 1 3 309.414 0.175 20 0 DCADHO CCCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381116818 963825971 /nfs/dbraw/zinc/82/59/71/963825971.db2.gz ORPZFESFLOBAJO-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC001381129275 963832995 /nfs/dbraw/zinc/83/29/95/963832995.db2.gz KYAOYCHFROATFJ-UHFFFAOYSA-N 1 3 322.457 0.628 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC001381129275 963832999 /nfs/dbraw/zinc/83/29/99/963832999.db2.gz KYAOYCHFROATFJ-UHFFFAOYSA-N 1 3 322.457 0.628 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)N(C)C ZINC001375227251 964151961 /nfs/dbraw/zinc/15/19/61/964151961.db2.gz BHEFGADKGXQWMY-JSGCOSHPSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001375266975 964187733 /nfs/dbraw/zinc/18/77/33/964187733.db2.gz DZURJDRLMVGYBP-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001375270130 964189733 /nfs/dbraw/zinc/18/97/33/964189733.db2.gz IKBAYJWQQBDBOZ-OAHLLOKOSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001375432370 964394659 /nfs/dbraw/zinc/39/46/59/964394659.db2.gz OGIKYEDLXLGDTP-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001375432370 964394670 /nfs/dbraw/zinc/39/46/70/964394670.db2.gz OGIKYEDLXLGDTP-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO COC[C@H](O)CN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001373651280 964427434 /nfs/dbraw/zinc/42/74/34/964427434.db2.gz FHGKCDKBHPKYLK-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001373695121 964488016 /nfs/dbraw/zinc/48/80/16/964488016.db2.gz BKAJROYJCCWPPQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001373695121 964488024 /nfs/dbraw/zinc/48/80/24/964488024.db2.gz BKAJROYJCCWPPQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCc2cnn(C)c2)CC1)N(C)C ZINC001375531096 964521115 /nfs/dbraw/zinc/52/11/15/964521115.db2.gz OZCWRZKTAIFZCX-OAHLLOKOSA-N 1 3 321.469 0.787 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001369211768 964533517 /nfs/dbraw/zinc/53/35/17/964533517.db2.gz HNGBNCZYDVUZHE-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001369211768 964533522 /nfs/dbraw/zinc/53/35/22/964533522.db2.gz HNGBNCZYDVUZHE-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001375558466 964549943 /nfs/dbraw/zinc/54/99/43/964549943.db2.gz DKJHHKWIYUDYLM-HDJSIYSDSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001369227171 964551737 /nfs/dbraw/zinc/55/17/37/964551737.db2.gz MMAJBQTVNUAXRZ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1cnnn1C ZINC001373759783 964583426 /nfs/dbraw/zinc/58/34/26/964583426.db2.gz LXHFANDJROIPAR-DZGCQCFKSA-N 1 3 322.457 0.674 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)NCc1cnnn1C ZINC001373759783 964583435 /nfs/dbraw/zinc/58/34/35/964583435.db2.gz LXHFANDJROIPAR-DZGCQCFKSA-N 1 3 322.457 0.674 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001369252177 964601964 /nfs/dbraw/zinc/60/19/64/964601964.db2.gz ODQXTYPDYZCLMX-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(CC)CC ZINC001373820664 964679000 /nfs/dbraw/zinc/67/90/00/964679000.db2.gz KMSYQEDAQQBNFD-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNC[C@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001373877630 964744765 /nfs/dbraw/zinc/74/47/65/964744765.db2.gz IUWABCCODFMEFA-YOEHRIQHSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001373877630 964744769 /nfs/dbraw/zinc/74/47/69/964744769.db2.gz IUWABCCODFMEFA-YOEHRIQHSA-N 1 3 324.469 0.481 20 0 DCADHO COCCN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001447757834 1013522816 /nfs/dbraw/zinc/52/28/16/1013522816.db2.gz GAXIDIJUXCQAIN-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO COCCN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001447757832 1013523332 /nfs/dbraw/zinc/52/33/32/1013523332.db2.gz GAXIDIJUXCQAIN-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001373960610 964821065 /nfs/dbraw/zinc/82/10/65/964821065.db2.gz KVKXURAFVZLGGH-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cccc(C[NH2+][C@@H](CO)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001369362732 964829689 /nfs/dbraw/zinc/82/96/89/964829689.db2.gz LOHHMTNWBASVID-NVXWUHKLSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001369378687 964857545 /nfs/dbraw/zinc/85/75/45/964857545.db2.gz HQSKAQISZPZQTL-INIZCTEOSA-N 1 3 317.433 0.658 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@H]1C ZINC001369391718 964882067 /nfs/dbraw/zinc/88/20/67/964882067.db2.gz NFYSTWDZIBKZLH-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNCc2nccn2C)CC[N@@H+]1C ZINC001374027425 964906749 /nfs/dbraw/zinc/90/67/49/964906749.db2.gz ZTQJYGZNIKGWDC-QLFBSQMISA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNCc2nccn2C)CC[N@H+]1C ZINC001374027425 964906760 /nfs/dbraw/zinc/90/67/60/964906760.db2.gz ZTQJYGZNIKGWDC-QLFBSQMISA-N 1 3 321.469 0.992 20 0 DCADHO C[C@H]1C[C@H](NCc2cncn2C)CN1C(=O)CCC[NH+](C)C ZINC001369405667 964909921 /nfs/dbraw/zinc/90/99/21/964909921.db2.gz PMIULQDJDWXIMF-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1nnc([C@H](C)NC[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001375889435 964958788 /nfs/dbraw/zinc/95/87/88/964958788.db2.gz MPWILRVFWLMALQ-LRDDRELGSA-N 1 3 322.457 0.954 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001375895895 964964016 /nfs/dbraw/zinc/96/40/16/964964016.db2.gz KDUILAQELCNGHA-YOEHRIQHSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001369434688 964969310 /nfs/dbraw/zinc/96/93/10/964969310.db2.gz GAGCAYGLMOWARE-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)CNCc1ccccn1)[NH+](C)C ZINC001369478179 965048179 /nfs/dbraw/zinc/04/81/79/965048179.db2.gz CUELFNUMHMLTMQ-HZPDHXFCSA-N 1 3 322.453 0.577 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CCN(CCn2cccn2)CC1 ZINC001376011481 965084411 /nfs/dbraw/zinc/08/44/11/965084411.db2.gz CZZYXLCMNZLCKZ-UHFFFAOYSA-N 1 3 307.442 0.758 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC2CCC2)C1 ZINC001369508354 965110335 /nfs/dbraw/zinc/11/03/35/965110335.db2.gz UUSCEGQHBYRXNK-HOCLYGCPSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC2CCC2)C1 ZINC001369508354 965110340 /nfs/dbraw/zinc/11/03/40/965110340.db2.gz UUSCEGQHBYRXNK-HOCLYGCPSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C)C(N)=O ZINC001369562618 965176473 /nfs/dbraw/zinc/17/64/73/965176473.db2.gz JXZCYYYFRYXJBM-AAEUAGOBSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001374276720 965216325 /nfs/dbraw/zinc/21/63/25/965216325.db2.gz AGHLQRNYSKLWIS-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H](O)CCCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376135149 965260381 /nfs/dbraw/zinc/26/03/81/965260381.db2.gz PPVMDFSYXQLWNS-HUUCEWRRSA-N 1 3 309.454 0.966 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001374377446 965324080 /nfs/dbraw/zinc/32/40/80/965324080.db2.gz LGQPUEFTTHYCEM-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnnn1C ZINC001374428895 965375155 /nfs/dbraw/zinc/37/51/55/965375155.db2.gz XYCRITXUMHJNIR-AWEZNQCLSA-N 1 3 322.457 0.530 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+]Cc1ccnn1C)C1CC1)C1CCC1 ZINC001376210721 965387130 /nfs/dbraw/zinc/38/71/30/965387130.db2.gz FFBWIIWSGRCDSB-INIZCTEOSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)NCC(N)=O ZINC001374440973 965393413 /nfs/dbraw/zinc/39/34/13/965393413.db2.gz BPBINKHTXKDYON-AWEZNQCLSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)N1CCC1 ZINC001374453171 965405748 /nfs/dbraw/zinc/40/57/48/965405748.db2.gz NGDHPCJHJAKGAC-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374555544 965525821 /nfs/dbraw/zinc/52/58/21/965525821.db2.gz LCGDXSASAJKALN-OAHLLOKOSA-N 1 3 307.442 0.305 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374555544 965525825 /nfs/dbraw/zinc/52/58/25/965525825.db2.gz LCGDXSASAJKALN-OAHLLOKOSA-N 1 3 307.442 0.305 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)C1)[NH+](C)C ZINC001376328834 965527639 /nfs/dbraw/zinc/52/76/39/965527639.db2.gz IDLULAMHKBUWCI-AEGPPILISA-N 1 3 324.469 0.430 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001374562117 965533713 /nfs/dbraw/zinc/53/37/13/965533713.db2.gz OCXUPGMHTRCOLJ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)N(C)C)C1 ZINC001374562117 965533725 /nfs/dbraw/zinc/53/37/25/965533725.db2.gz OCXUPGMHTRCOLJ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376386313 965597387 /nfs/dbraw/zinc/59/73/87/965597387.db2.gz FWZZPDKXLIIHSK-UMVBOHGHSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001376418773 965634484 /nfs/dbraw/zinc/63/44/84/965634484.db2.gz PGIATVFUTCUOLO-MELADBBJSA-N 1 3 306.410 0.503 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001376418773 965634487 /nfs/dbraw/zinc/63/44/87/965634487.db2.gz PGIATVFUTCUOLO-MELADBBJSA-N 1 3 306.410 0.503 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001374618792 965647248 /nfs/dbraw/zinc/64/72/48/965647248.db2.gz XFAKSYQRMPNZEU-AWEZNQCLSA-N 1 3 324.400 0.272 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001370092912 965764007 /nfs/dbraw/zinc/76/40/07/965764007.db2.gz LQSYPDBOSBUNIN-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001376546779 965812963 /nfs/dbraw/zinc/81/29/63/965812963.db2.gz LYVSYKMSAJBGHV-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001376558456 965827438 /nfs/dbraw/zinc/82/74/38/965827438.db2.gz CRDMCOOPSJYXRS-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC001374772958 965897440 /nfs/dbraw/zinc/89/74/40/965897440.db2.gz OMSHAANCQBFTHF-LSDHHAIUSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC001374772958 965897445 /nfs/dbraw/zinc/89/74/45/965897445.db2.gz OMSHAANCQBFTHF-LSDHHAIUSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001374776035 965903125 /nfs/dbraw/zinc/90/31/25/965903125.db2.gz KTULLKAUUQOPMV-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001370259347 965929190 /nfs/dbraw/zinc/92/91/90/965929190.db2.gz UICDNXVBHZWNFF-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001370259347 965929205 /nfs/dbraw/zinc/92/92/05/965929205.db2.gz UICDNXVBHZWNFF-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001376684223 965980784 /nfs/dbraw/zinc/98/07/84/965980784.db2.gz DWBGXDFBZBYUEC-LJISPDSOSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001376684223 965980795 /nfs/dbraw/zinc/98/07/95/965980795.db2.gz DWBGXDFBZBYUEC-LJISPDSOSA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001374912106 966130197 /nfs/dbraw/zinc/13/01/97/966130197.db2.gz YTFVARSXSSKJJL-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001374912106 966130202 /nfs/dbraw/zinc/13/02/02/966130202.db2.gz YTFVARSXSSKJJL-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001376770921 966145838 /nfs/dbraw/zinc/14/58/38/966145838.db2.gz FVHQGZJGDUQVRW-MRXNPFEDSA-N 1 3 315.433 0.820 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001374939926 966160849 /nfs/dbraw/zinc/16/08/49/966160849.db2.gz LXSXVJPZKHEAFZ-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNCC(=O)NCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374976534 966189894 /nfs/dbraw/zinc/18/98/94/966189894.db2.gz ISXMVQXXQMMUBC-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNCC(=O)NCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374976534 966189899 /nfs/dbraw/zinc/18/98/99/966189899.db2.gz ISXMVQXXQMMUBC-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001370519455 966207690 /nfs/dbraw/zinc/20/76/90/966207690.db2.gz PPHINJKSZKVBRP-IHRRRGAJSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001370545188 966230617 /nfs/dbraw/zinc/23/06/17/966230617.db2.gz GJICLHJQVPXKAM-UMVBOHGHSA-N 1 3 310.442 0.088 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001370636120 966310606 /nfs/dbraw/zinc/31/06/06/966310606.db2.gz KGLUAWSQYOXPPA-BARDWOONSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001370804187 966497532 /nfs/dbraw/zinc/49/75/32/966497532.db2.gz GYWKRNBOAREGQG-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N1CCCC1 ZINC001370927192 966595011 /nfs/dbraw/zinc/59/50/11/966595011.db2.gz GWIUJJOUGVIDKD-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001371183253 966792020 /nfs/dbraw/zinc/79/20/20/966792020.db2.gz YCTWQSHYKRENAG-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001371183253 966792028 /nfs/dbraw/zinc/79/20/28/966792028.db2.gz YCTWQSHYKRENAG-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)NC1CC1 ZINC001371211075 966817480 /nfs/dbraw/zinc/81/74/80/966817480.db2.gz ISFLENVRMGPPAC-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)NC1CC1 ZINC001371211075 966817489 /nfs/dbraw/zinc/81/74/89/966817489.db2.gz ISFLENVRMGPPAC-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001371365870 966936998 /nfs/dbraw/zinc/93/69/98/966936998.db2.gz TXNNQWUJZRQIRP-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO Cc1nc([C@H](C)N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)n[nH]1 ZINC001382128352 966964413 /nfs/dbraw/zinc/96/44/13/966964413.db2.gz SRPQFQRPRHCLQF-RYUDHWBXSA-N 1 3 310.446 0.952 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001382136564 966970654 /nfs/dbraw/zinc/97/06/54/966970654.db2.gz WUWZLAZJQVJEEA-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001371531359 967088322 /nfs/dbraw/zinc/08/83/22/967088322.db2.gz CCEKDWRQFTVRAD-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001371531359 967088331 /nfs/dbraw/zinc/08/83/31/967088331.db2.gz CCEKDWRQFTVRAD-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001382293177 967176399 /nfs/dbraw/zinc/17/63/99/967176399.db2.gz XQROEZHAEBLGFM-OCCSQVGLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCn1cccn1 ZINC001382359652 967260669 /nfs/dbraw/zinc/26/06/69/967260669.db2.gz OUVJLOKPJQFTIU-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@@H](CC)C(N)=O)C(C)(C)C1 ZINC001382379145 967293651 /nfs/dbraw/zinc/29/36/51/967293651.db2.gz QYGJTQSVYAUBIY-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CN(C[C@H](O)CNCc1ccccc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382440681 967378295 /nfs/dbraw/zinc/37/82/95/967378295.db2.gz JBJMSSNWLSVYQZ-HUUCEWRRSA-N 1 3 323.412 0.686 20 0 DCADHO CN(C[C@H](O)CNCc1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382440681 967378302 /nfs/dbraw/zinc/37/83/02/967378302.db2.gz JBJMSSNWLSVYQZ-HUUCEWRRSA-N 1 3 323.412 0.686 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CCC[C@H]1C ZINC001448087262 1013743936 /nfs/dbraw/zinc/74/39/36/1013743936.db2.gz FGFZFMVTXBDSBZ-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001372581531 968138722 /nfs/dbraw/zinc/13/87/22/968138722.db2.gz OYCAAFNAPHFVCE-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001372581531 968138727 /nfs/dbraw/zinc/13/87/27/968138727.db2.gz OYCAAFNAPHFVCE-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCCC[C@@H](NCCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001372935568 968545334 /nfs/dbraw/zinc/54/53/34/968545334.db2.gz KBLBTLUKVWDXPU-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)NC1CCCC1 ZINC001372992848 968606620 /nfs/dbraw/zinc/60/66/20/968606620.db2.gz OZBKUSDETWBLAE-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)C(N)=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001373000947 968613349 /nfs/dbraw/zinc/61/33/49/968613349.db2.gz WQUQTOUZCRHMFL-MNOVXSKESA-N 1 3 307.398 0.043 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001373580690 969258191 /nfs/dbraw/zinc/25/81/91/969258191.db2.gz XODBDWRKKQFCLV-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001448359580 1013883788 /nfs/dbraw/zinc/88/37/88/1013883788.db2.gz RPNYAYIVHKSJOQ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001448849948 1014071088 /nfs/dbraw/zinc/07/10/88/1014071088.db2.gz HDTNZOHZMYHISJ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001448849948 1014071093 /nfs/dbraw/zinc/07/10/93/1014071093.db2.gz HDTNZOHZMYHISJ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001449010533 1014132753 /nfs/dbraw/zinc/13/27/53/1014132753.db2.gz JYQWTTIGKJEUJD-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001449027332 1014143194 /nfs/dbraw/zinc/14/31/94/1014143194.db2.gz ZCXOJYWNPHVCHX-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1 ZINC001449093267 1014184421 /nfs/dbraw/zinc/18/44/21/1014184421.db2.gz SUJNBWLFQCZNPK-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)C[C@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001449227655 1014325744 /nfs/dbraw/zinc/32/57/44/1014325744.db2.gz JDLSDZABQXYZTG-HIFRSBDPSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001449227655 1014325750 /nfs/dbraw/zinc/32/57/50/1014325750.db2.gz JDLSDZABQXYZTG-HIFRSBDPSA-N 1 3 324.425 0.130 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001522798555 1014380734 /nfs/dbraw/zinc/38/07/34/1014380734.db2.gz DADWOHHMZVYVJV-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1[C@H](C)CN[C@H](C)[C@H]1C ZINC001522827468 1014405579 /nfs/dbraw/zinc/40/55/79/1014405579.db2.gz PYSZLWGWCVRERZ-RBSFLKMASA-N 1 3 315.458 0.569 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1[C@H](C)CN[C@H](C)[C@H]1C ZINC001522827468 1014405588 /nfs/dbraw/zinc/40/55/88/1014405588.db2.gz PYSZLWGWCVRERZ-RBSFLKMASA-N 1 3 315.458 0.569 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2C)CC1 ZINC001550085318 1014554936 /nfs/dbraw/zinc/55/49/36/1014554936.db2.gz ITHAQVYBSQJYJJ-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]C[C@H]2C)CC1 ZINC001550085316 1014555386 /nfs/dbraw/zinc/55/53/86/1014555386.db2.gz ITHAQVYBSQJYJJ-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](CC(=O)N1CC[C@H](n2cc(CN)nn2)C1)[C@H]1CCC[NH2+]C1 ZINC001550097201 1014568664 /nfs/dbraw/zinc/56/86/64/1014568664.db2.gz BYFDHDLBRLGGSQ-IPYPFGDCSA-N 1 3 320.441 0.536 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001550098604 1014568965 /nfs/dbraw/zinc/56/89/65/1014568965.db2.gz VXVBNSVKJDTYNS-OAHLLOKOSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550201900 1014625371 /nfs/dbraw/zinc/62/53/71/1014625371.db2.gz JYAPBPGMMVALDO-CYBMUJFWSA-N 1 3 324.469 0.692 20 0 DCADHO COCCN1CCC(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001550285278 1014651886 /nfs/dbraw/zinc/65/18/86/1014651886.db2.gz FKUQCOOXNYUDEM-VHRNVKJDSA-N 1 3 324.469 0.927 20 0 DCADHO [NH3+][C@@H]1COCC[C@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550290236 1014655080 /nfs/dbraw/zinc/65/50/80/1014655080.db2.gz XUOUCAUSANMYKE-RRFJBIMHSA-N 1 3 304.394 0.116 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001550290695 1014656578 /nfs/dbraw/zinc/65/65/78/1014656578.db2.gz QXQJYVPUEHECPK-OAGGEKHMSA-N 1 3 300.406 0.562 20 0 DCADHO Cc1noc([C@@H]2OCC[C@H]2NC[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC001550702611 1014809174 /nfs/dbraw/zinc/80/91/74/1014809174.db2.gz UEUGPVFFTCNNCU-MGPQQGTHSA-N 1 3 322.409 0.956 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550750658 1014837367 /nfs/dbraw/zinc/83/73/67/1014837367.db2.gz SWLHXAZKWZFRKI-KBPBESRZSA-N 1 3 321.429 0.096 20 0 DCADHO [NH3+][C@H]1CC12CC(NC(=O)NC[C@@H]1Cc3ccccc3CN1)C2 ZINC001550754314 1014839762 /nfs/dbraw/zinc/83/97/62/1014839762.db2.gz HMSJUACRCZZYFZ-BOLLXYOYSA-N 1 3 300.406 0.880 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[C@H](C)CN1 ZINC001550756120 1014842992 /nfs/dbraw/zinc/84/29/92/1014842992.db2.gz ODCGGVOJGASLIJ-MCIONIFRSA-N 1 3 310.442 0.537 20 0 DCADHO CC(C)[C@H](C)NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550914429 1014913600 /nfs/dbraw/zinc/91/36/00/1014913600.db2.gz WGRLOUOOIJULHG-JDFRZJQESA-N 1 3 324.469 0.384 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001551099138 1014967164 /nfs/dbraw/zinc/96/71/64/1014967164.db2.gz AOVQXSHBLYEWGX-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001551099138 1014967171 /nfs/dbraw/zinc/96/71/71/1014967171.db2.gz AOVQXSHBLYEWGX-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC001551099891 1014968833 /nfs/dbraw/zinc/96/88/33/1014968833.db2.gz FRHKGESGPHXWOY-FPCVCCKLSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC001551099891 1014968838 /nfs/dbraw/zinc/96/88/38/1014968838.db2.gz FRHKGESGPHXWOY-FPCVCCKLSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001530951704 1015004294 /nfs/dbraw/zinc/00/42/94/1015004294.db2.gz GPWMOHRQZLEFBH-ILXRZTDVSA-N 1 3 322.453 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001530951704 1015004301 /nfs/dbraw/zinc/00/43/01/1015004301.db2.gz GPWMOHRQZLEFBH-ILXRZTDVSA-N 1 3 322.453 0.090 20 0 DCADHO NC(=O)[C@]12CCC[C@@H]1CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC001551401113 1015037285 /nfs/dbraw/zinc/03/72/85/1015037285.db2.gz GCCYJYQJMJEEQC-IOASZLSFSA-N 1 3 318.425 0.290 20 0 DCADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001383318383 984768845 /nfs/dbraw/zinc/76/88/45/984768845.db2.gz GDDQLYJPHVZOBI-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001450350238 1015078974 /nfs/dbraw/zinc/07/89/74/1015078974.db2.gz XGIWRNQAHAOOBE-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001450350238 1015078987 /nfs/dbraw/zinc/07/89/87/1015078987.db2.gz XGIWRNQAHAOOBE-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001383717018 985037562 /nfs/dbraw/zinc/03/75/62/985037562.db2.gz LYBCPDUMTNGFNU-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383717018 985037571 /nfs/dbraw/zinc/03/75/71/985037571.db2.gz LYBCPDUMTNGFNU-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001384088181 985351185 /nfs/dbraw/zinc/35/11/85/985351185.db2.gz VJJFSONXTXJTMV-GXTWGEPZSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001384088181 985351203 /nfs/dbraw/zinc/35/12/03/985351203.db2.gz VJJFSONXTXJTMV-GXTWGEPZSA-N 1 3 321.425 0.400 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)[C@H](C)CN1 ZINC001551562075 1015137981 /nfs/dbraw/zinc/13/79/81/1015137981.db2.gz QZTXCELNEACOEL-AAXDQBDMSA-N 1 3 320.359 0.920 20 0 DCADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NC3CCC4(C[C@H]4[NH3+])CC3)C[C@H]21 ZINC001551557311 1015136256 /nfs/dbraw/zinc/13/62/56/1015136256.db2.gz DPLHAAUNVYHONA-MGVVEDPZSA-N 1 3 322.453 0.353 20 0 DCADHO CC(C)[C@@H](CNC(=O)NC1CC2(C[C@H]2[NH3+])C1)N1CCN(C)CC1 ZINC001551599150 1015154622 /nfs/dbraw/zinc/15/46/22/1015154622.db2.gz MYUZLIFNHUHAPU-GYMHETDLSA-N 1 3 323.485 0.437 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001385757203 986574047 /nfs/dbraw/zinc/57/40/47/986574047.db2.gz SWTQSQIPFOPMTP-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001386065411 986792742 /nfs/dbraw/zinc/79/27/42/986792742.db2.gz AIHCGVJBKCVZOB-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCNC(C)(C)C2)cnn1C ZINC001552089092 1015264911 /nfs/dbraw/zinc/26/49/11/1015264911.db2.gz ZWSCKWZXANDNIM-KBPBESRZSA-N 1 3 305.426 0.242 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001386296055 987049834 /nfs/dbraw/zinc/04/98/34/987049834.db2.gz WZNZLMYRAPINAB-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552157417 1015295632 /nfs/dbraw/zinc/29/56/32/1015295632.db2.gz OWANSSKOLDHGBJ-HZPDHXFCSA-N 1 3 308.470 0.376 20 0 DCADHO CCN1CCC[C@H](NC(=O)[C@H]2C[NH2+]C[C@H]2c2cnn(C)c2C)C1 ZINC001552169104 1015303320 /nfs/dbraw/zinc/30/33/20/1015303320.db2.gz VAYIUPSWHBTELF-BPUTZDHNSA-N 1 3 319.453 0.632 20 0 DCADHO C(c1noc([C@]23C[NH2+]C[C@@H]2COC3)n1)C1=N[C@@H]2CCCC[C@@H]2N1 ZINC001552175530 1015304997 /nfs/dbraw/zinc/30/49/97/1015304997.db2.gz BLDZWIVZIYEVKV-YMEQNVIZSA-N 1 3 317.393 0.412 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001386860808 987459265 /nfs/dbraw/zinc/45/92/65/987459265.db2.gz NXRLGKQNNBHRIK-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001386860806 987459632 /nfs/dbraw/zinc/45/96/32/987459632.db2.gz NXRLGKQNNBHRIK-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001386870144 987468158 /nfs/dbraw/zinc/46/81/58/987468158.db2.gz LRDFEQIFFABYLD-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001386870144 987468162 /nfs/dbraw/zinc/46/81/62/987468162.db2.gz LRDFEQIFFABYLD-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC001552186299 1015310545 /nfs/dbraw/zinc/31/05/45/1015310545.db2.gz ILNAZPSLHANWBD-ANQUJSFKSA-N 1 3 322.453 0.620 20 0 DCADHO CN(CC(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001387291545 987753958 /nfs/dbraw/zinc/75/39/58/987753958.db2.gz KFXAJDSHTXSRRK-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001387394754 987807051 /nfs/dbraw/zinc/80/70/51/987807051.db2.gz YHHBHVGEMOLNFP-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001387741144 988104871 /nfs/dbraw/zinc/10/48/71/988104871.db2.gz BIBHAFUUFQLRHY-YUELXQCFSA-N 1 3 324.469 0.240 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001387741144 988104874 /nfs/dbraw/zinc/10/48/74/988104874.db2.gz BIBHAFUUFQLRHY-YUELXQCFSA-N 1 3 324.469 0.240 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC001387745108 988111908 /nfs/dbraw/zinc/11/19/08/988111908.db2.gz RDINWJJUHBWOOC-CJNGLKHVSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001388696589 988518349 /nfs/dbraw/zinc/51/83/49/988518349.db2.gz DOABDZDXHKTIBN-CRWXNKLISA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001388696598 988519552 /nfs/dbraw/zinc/51/95/52/988519552.db2.gz DOABDZDXHKTIBN-XJFOESAGSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001388791814 988595788 /nfs/dbraw/zinc/59/57/88/988595788.db2.gz HFSXLCXDGBHOPY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001388791814 988595796 /nfs/dbraw/zinc/59/57/96/988595796.db2.gz HFSXLCXDGBHOPY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001388789260 988596379 /nfs/dbraw/zinc/59/63/79/988596379.db2.gz FBQSBQOKOHIBEH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1cc([C@H]2CN(C(=O)NC[C@H]3CCCCN3C)C[C@@H]2[NH3+])cn1 ZINC001552352839 1015403379 /nfs/dbraw/zinc/40/33/79/1015403379.db2.gz WORFFFAJKPPGNH-KFWWJZLASA-N 1 3 320.441 0.341 20 0 DCADHO C[C@@H](N[C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001388812196 988609994 /nfs/dbraw/zinc/60/99/94/988609994.db2.gz SFAHWPSGDVTYHD-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001389204759 988981491 /nfs/dbraw/zinc/98/14/91/988981491.db2.gz LIZXLKKAJQQFTJ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001389204759 988981498 /nfs/dbraw/zinc/98/14/98/988981498.db2.gz LIZXLKKAJQQFTJ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)N2CC(NC(=O)CCC[NH+](C)C)C2)CCC1 ZINC001389399386 989198593 /nfs/dbraw/zinc/19/85/93/989198593.db2.gz UOQCHNBLWDCWEB-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001389439168 989250347 /nfs/dbraw/zinc/25/03/47/989250347.db2.gz ZDSZEEWKFGYIRU-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001389997270 989737453 /nfs/dbraw/zinc/73/74/53/989737453.db2.gz CHFWPAZXBDSBIW-XQLPTFJDSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001390023980 989753994 /nfs/dbraw/zinc/75/39/94/989753994.db2.gz FRDWQZOAWVIKLR-ZNMIVQPWSA-N 1 3 324.469 0.573 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C)N(C)C ZINC001390025083 989754886 /nfs/dbraw/zinc/75/48/86/989754886.db2.gz MKPCRXUMFWLJRB-OFQRWUPVSA-N 1 3 324.469 0.336 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001390110065 989831810 /nfs/dbraw/zinc/83/18/10/989831810.db2.gz SWGCVUSVBRMHDO-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001390121981 989841117 /nfs/dbraw/zinc/84/11/17/989841117.db2.gz LWEKAUWPQWVNQP-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001390121981 989841132 /nfs/dbraw/zinc/84/11/32/989841132.db2.gz LWEKAUWPQWVNQP-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCCC1=O ZINC001390408853 990073456 /nfs/dbraw/zinc/07/34/56/990073456.db2.gz WDUVZWHZHWCKGZ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001390536181 990183025 /nfs/dbraw/zinc/18/30/25/990183025.db2.gz HJWIJZRFTQRITN-UONOGXRCSA-N 1 3 314.474 0.676 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001390552164 990193303 /nfs/dbraw/zinc/19/33/03/990193303.db2.gz GXJKVZWZFDNIRC-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001390555167 990196952 /nfs/dbraw/zinc/19/69/52/990196952.db2.gz AYWNXTYXFXQTEH-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001390555167 990196958 /nfs/dbraw/zinc/19/69/58/990196958.db2.gz AYWNXTYXFXQTEH-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001390588785 990222854 /nfs/dbraw/zinc/22/28/54/990222854.db2.gz KOHVTZUCSUIQLZ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001390601215 990234879 /nfs/dbraw/zinc/23/48/79/990234879.db2.gz XCGMJDTVQFMBDO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NCc1cnns1 ZINC001390707128 990318554 /nfs/dbraw/zinc/31/85/54/990318554.db2.gz UGLNNZVCORBHHD-NSHDSACASA-N 1 3 311.455 0.864 20 0 DCADHO COC[C@H](C)N(C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390840912 990428392 /nfs/dbraw/zinc/42/83/92/990428392.db2.gz HXRHOLYDVALMCN-ZDUSSCGKSA-N 1 3 301.431 0.180 20 0 DCADHO CC[C@@H]([NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001391227533 990686548 /nfs/dbraw/zinc/68/65/48/990686548.db2.gz UIORAVHENOARNX-OAHLLOKOSA-N 1 3 320.437 0.674 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)[C@@H]2C1 ZINC001553035362 1015593651 /nfs/dbraw/zinc/59/36/51/1015593651.db2.gz WQDIGSXTYZUWMK-XJKSGUPXSA-N 1 3 307.438 0.650 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCNC1=O ZINC001391696040 991107604 /nfs/dbraw/zinc/10/76/04/991107604.db2.gz LHHPGCVYKAEMAL-ZIAGYGMSSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001391724696 991137812 /nfs/dbraw/zinc/13/78/12/991137812.db2.gz ASHIXMWGDKERPO-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCCN1CC ZINC001391750136 991157632 /nfs/dbraw/zinc/15/76/32/991157632.db2.gz BVIBLWKEWQFKKL-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001391862808 991234647 /nfs/dbraw/zinc/23/46/47/991234647.db2.gz RKJCFXADNFEESO-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC2(CCN([C@H]3CCNC3=O)C2)CC1 ZINC001391870903 991242026 /nfs/dbraw/zinc/24/20/26/991242026.db2.gz RAHYADXBGQBMHY-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)on1 ZINC001391947867 991318530 /nfs/dbraw/zinc/31/85/30/991318530.db2.gz FTNOFPUNOZWBOY-GFCCVEGCSA-N 1 3 322.409 0.621 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CCCC1)N(C)C ZINC001392025112 991405588 /nfs/dbraw/zinc/40/55/88/991405588.db2.gz WAKXENGLIJMRJY-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001392024630 991406002 /nfs/dbraw/zinc/40/60/02/991406002.db2.gz OXIPMFHQSQLZFR-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001392024630 991406005 /nfs/dbraw/zinc/40/60/05/991406005.db2.gz OXIPMFHQSQLZFR-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CCCC1)N(C)C ZINC001392025109 991406181 /nfs/dbraw/zinc/40/61/81/991406181.db2.gz WAKXENGLIJMRJY-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001392123391 991520724 /nfs/dbraw/zinc/52/07/24/991520724.db2.gz MZRKQCCCBVMTKB-ZIAGYGMSSA-N 1 3 314.474 0.630 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)CN1CCCC1 ZINC001392132276 991529860 /nfs/dbraw/zinc/52/98/60/991529860.db2.gz LFAPNBRPDKQNRG-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCC(N)=O ZINC001392191642 991589709 /nfs/dbraw/zinc/58/97/09/991589709.db2.gz FCYWOMZBJSNBSQ-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCC(N)=O ZINC001392191642 991589716 /nfs/dbraw/zinc/58/97/16/991589716.db2.gz FCYWOMZBJSNBSQ-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001392537025 992062876 /nfs/dbraw/zinc/06/28/76/992062876.db2.gz MYBVKQWEHLGQNQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C[N@H+](C)CCc1cnn(C)c1)NC(=O)CN(C)C1CCC1 ZINC001392661014 992228661 /nfs/dbraw/zinc/22/86/61/992228661.db2.gz NNEULOMQJWCWRV-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](C[N@@H+](C)CCc1cnn(C)c1)NC(=O)CN(C)C1CCC1 ZINC001392661014 992228671 /nfs/dbraw/zinc/22/86/71/992228671.db2.gz NNEULOMQJWCWRV-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001392803885 992411702 /nfs/dbraw/zinc/41/17/02/992411702.db2.gz CZNQUJZKWUZDSB-CABCVRRESA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001392803885 992411709 /nfs/dbraw/zinc/41/17/09/992411709.db2.gz CZNQUJZKWUZDSB-CABCVRRESA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccn(C)c(=O)c2)CC1)N(C)C ZINC001392937309 992561738 /nfs/dbraw/zinc/56/17/38/992561738.db2.gz NODACLGURIIFSP-AWEZNQCLSA-N 1 3 320.437 0.464 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](CC(N)=O)CC2CC2)CC1)N(C)C ZINC001392976852 992594991 /nfs/dbraw/zinc/59/49/91/992594991.db2.gz YUSUYUVUVMXBIO-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](CC(N)=O)CC2CC2)CC1)N(C)C ZINC001392976852 992595000 /nfs/dbraw/zinc/59/50/00/992595000.db2.gz YUSUYUVUVMXBIO-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+]1CCCCC1 ZINC001393051763 992651603 /nfs/dbraw/zinc/65/16/03/992651603.db2.gz HUKLIJIRYJXTPG-ZBFHGGJFSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001393145440 992716317 /nfs/dbraw/zinc/71/63/17/992716317.db2.gz HCYCIYFSUMHBCV-GDBMZVCRSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001393379302 992929488 /nfs/dbraw/zinc/92/94/88/992929488.db2.gz CTAPUMWUKXFQFB-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001393474079 993019941 /nfs/dbraw/zinc/01/99/41/993019941.db2.gz QDUGLOCBYFOFSQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001393476447 993021940 /nfs/dbraw/zinc/02/19/40/993021940.db2.gz XHWZQXHOHYUCCM-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CC3CC3)C2)C1 ZINC001393696317 993184179 /nfs/dbraw/zinc/18/41/79/993184179.db2.gz MHSHTLOWZMGMMR-YOEHRIQHSA-N 1 3 309.454 0.681 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393996604 993400575 /nfs/dbraw/zinc/40/05/75/993400575.db2.gz MOMWHDQTUDMRSW-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCn1cncn1 ZINC001394071875 993455632 /nfs/dbraw/zinc/45/56/32/993455632.db2.gz WKWYIFSHFUIOCP-ZFWWWQNUSA-N 1 3 320.441 0.056 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)CCn1cncn1 ZINC001394126640 993498753 /nfs/dbraw/zinc/49/87/53/993498753.db2.gz WEXBZXKWWQVGFZ-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CCn1cncn1 ZINC001394126640 993498757 /nfs/dbraw/zinc/49/87/57/993498757.db2.gz WEXBZXKWWQVGFZ-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001394176880 993531554 /nfs/dbraw/zinc/53/15/54/993531554.db2.gz VWVINWOXYKTSHO-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001394327453 993623716 /nfs/dbraw/zinc/62/37/16/993623716.db2.gz JVXFQSCVUQNVDA-HNNXBMFYSA-N 1 3 307.398 0.011 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001394384199 993669125 /nfs/dbraw/zinc/66/91/25/993669125.db2.gz JAMPDKKOLKDCHY-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001394384199 993669131 /nfs/dbraw/zinc/66/91/31/993669131.db2.gz JAMPDKKOLKDCHY-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001394395378 993678787 /nfs/dbraw/zinc/67/87/87/993678787.db2.gz YWBUPFBTCIHFHT-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC001394397430 993679014 /nfs/dbraw/zinc/67/90/14/993679014.db2.gz YWSIVZMXXYBQGW-HAQNSBGRSA-N 1 3 311.455 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC001394397430 993679017 /nfs/dbraw/zinc/67/90/17/993679017.db2.gz YWSIVZMXXYBQGW-HAQNSBGRSA-N 1 3 311.455 0.864 20 0 DCADHO CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001394534449 993808064 /nfs/dbraw/zinc/80/80/64/993808064.db2.gz BDJDWXJLPVWELI-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001399912055 993919077 /nfs/dbraw/zinc/91/90/77/993919077.db2.gz LURRALNLURPBOE-ZNMIVQPWSA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001399912055 993919093 /nfs/dbraw/zinc/91/90/93/993919093.db2.gz LURRALNLURPBOE-ZNMIVQPWSA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399931534 993947261 /nfs/dbraw/zinc/94/72/61/993947261.db2.gz LURRALNLURPBOE-QLFBSQMISA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399931534 993947269 /nfs/dbraw/zinc/94/72/69/993947269.db2.gz LURRALNLURPBOE-QLFBSQMISA-N 1 3 315.458 0.018 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2ccccn2)CC[N@@H+]1C ZINC001394740928 994089704 /nfs/dbraw/zinc/08/97/04/994089704.db2.gz KKLIYADSFVOUNY-VNQPRFMTSA-N 1 3 320.437 0.331 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2ccccn2)CC[N@H+]1C ZINC001394740928 994089714 /nfs/dbraw/zinc/08/97/14/994089714.db2.gz KKLIYADSFVOUNY-VNQPRFMTSA-N 1 3 320.437 0.331 20 0 DCADHO CCCC[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001400057421 994112788 /nfs/dbraw/zinc/11/27/88/994112788.db2.gz VYCDDIWMUAEHJZ-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO CCCC[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001400057421 994112793 /nfs/dbraw/zinc/11/27/93/994112793.db2.gz VYCDDIWMUAEHJZ-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)CC ZINC001400816251 994969510 /nfs/dbraw/zinc/96/95/10/994969510.db2.gz WYLZKUSBOMUZJO-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(=O)NC ZINC001400840663 994996336 /nfs/dbraw/zinc/99/63/36/994996336.db2.gz APELZQVYYDOVMJ-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)N1CCCC1 ZINC001400918675 995062349 /nfs/dbraw/zinc/06/23/49/995062349.db2.gz NCWQWZDONDZDIB-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1 ZINC001401086395 995162444 /nfs/dbraw/zinc/16/24/44/995162444.db2.gz GKEKQISCNVJOKH-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001396931856 995691449 /nfs/dbraw/zinc/69/14/49/995691449.db2.gz YDOBRZXZSGMVMM-ZDUSSCGKSA-N 1 3 321.425 0.320 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001396937657 995694208 /nfs/dbraw/zinc/69/42/08/995694208.db2.gz OBWQEMNFNISFPT-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCO)C[C@H]1c1ccccc1 ZINC001397148290 995824910 /nfs/dbraw/zinc/82/49/10/995824910.db2.gz IIJSZFYSPXKSFV-DLBZAZTESA-N 1 3 319.449 0.905 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCO)C[C@H]1c1ccccc1 ZINC001397148290 995824917 /nfs/dbraw/zinc/82/49/17/995824917.db2.gz IIJSZFYSPXKSFV-DLBZAZTESA-N 1 3 319.449 0.905 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397200853 995860614 /nfs/dbraw/zinc/86/06/14/995860614.db2.gz FGGHPLLGLPMPHK-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397200853 995860621 /nfs/dbraw/zinc/86/06/21/995860621.db2.gz FGGHPLLGLPMPHK-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397651891 996117360 /nfs/dbraw/zinc/11/73/60/996117360.db2.gz GJSWZONKGIUYEO-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397651891 996117366 /nfs/dbraw/zinc/11/73/66/996117366.db2.gz GJSWZONKGIUYEO-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN([C@@H]2CCNC2=O)CC(C)(C)C1 ZINC001397806785 996185514 /nfs/dbraw/zinc/18/55/14/996185514.db2.gz IMMWHWVDLDNULF-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCN1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001398268967 996440536 /nfs/dbraw/zinc/44/05/36/996440536.db2.gz FGIGSIAYCOYDDJ-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001398452820 996524877 /nfs/dbraw/zinc/52/48/77/996524877.db2.gz MIKLNZWFCIVGPC-CJNGLKHVSA-N 1 3 315.433 0.676 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)ncn1 ZINC001398556865 996570978 /nfs/dbraw/zinc/57/09/78/996570978.db2.gz RIFCHDXPKWNCSG-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1)N(C)C ZINC001398608839 996602507 /nfs/dbraw/zinc/60/25/07/996602507.db2.gz DXNWZLFNDLRZKU-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001398621676 996608460 /nfs/dbraw/zinc/60/84/60/996608460.db2.gz HISNUPGEOLFOIG-MJBXVCDLSA-N 1 3 312.458 0.336 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001398814071 996699349 /nfs/dbraw/zinc/69/93/49/996699349.db2.gz QRYRSFQMXMPTSG-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001398814071 996699351 /nfs/dbraw/zinc/69/93/51/996699351.db2.gz QRYRSFQMXMPTSG-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001399013747 996832131 /nfs/dbraw/zinc/83/21/31/996832131.db2.gz DRMOLTHKLKHBSC-RYUDHWBXSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1)[NH+](C)C ZINC001399049821 996893361 /nfs/dbraw/zinc/89/33/61/996893361.db2.gz SCNKYQKXIBYWFB-SWLSCSKDSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001404317419 996968099 /nfs/dbraw/zinc/96/80/99/996968099.db2.gz HUHVAUWLVGJNMD-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001404317419 996968108 /nfs/dbraw/zinc/96/81/08/996968108.db2.gz HUHVAUWLVGJNMD-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001399110927 996977845 /nfs/dbraw/zinc/97/78/45/996977845.db2.gz LLCFFBKTNDRYSW-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001399110927 996977857 /nfs/dbraw/zinc/97/78/57/996977857.db2.gz LLCFFBKTNDRYSW-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001404406063 997079025 /nfs/dbraw/zinc/07/90/25/997079025.db2.gz VVRXQNFIELXDJM-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001404406063 997079034 /nfs/dbraw/zinc/07/90/34/997079034.db2.gz VVRXQNFIELXDJM-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001399218695 997091707 /nfs/dbraw/zinc/09/17/07/997091707.db2.gz HOAPGIYNROXGOZ-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001404510715 997186549 /nfs/dbraw/zinc/18/65/49/997186549.db2.gz FRJTWBWBLCALFW-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001404510715 997186556 /nfs/dbraw/zinc/18/65/56/997186556.db2.gz FRJTWBWBLCALFW-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCN(CCN(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001404558438 997234315 /nfs/dbraw/zinc/23/43/15/997234315.db2.gz LIIVLEDVQOPDMF-UHFFFAOYSA-N 1 3 310.486 0.958 20 0 DCADHO CO[C@H](C)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001502895556 1016123668 /nfs/dbraw/zinc/12/36/68/1016123668.db2.gz NPRKDHUMPUCBTF-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCC[C@H](C)O)C2)CC[N@@H+]1C ZINC001404941882 997610929 /nfs/dbraw/zinc/61/09/29/997610929.db2.gz MWRQNYRUPVOMOY-CWRNSKLLSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCC[C@H](C)O)C2)CC[N@H+]1C ZINC001404941882 997610933 /nfs/dbraw/zinc/61/09/33/997610933.db2.gz MWRQNYRUPVOMOY-CWRNSKLLSA-N 1 3 311.470 0.926 20 0 DCADHO COC[C@H](C)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001405032327 997708246 /nfs/dbraw/zinc/70/82/46/997708246.db2.gz XGVJGWDFQBAYRJ-KBPBESRZSA-N 1 3 313.442 0.323 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001548749185 1016186096 /nfs/dbraw/zinc/18/60/96/1016186096.db2.gz YZTKJWBPMHLMEM-QGZVFWFLSA-N 1 3 305.422 0.887 20 0 DCADHO C[C@H]1[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CC[NH+](C)C ZINC001405431932 998221741 /nfs/dbraw/zinc/22/17/41/998221741.db2.gz AMQXKRXNEKNEMJ-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C[C@H]1C ZINC001507328392 1016254086 /nfs/dbraw/zinc/25/40/86/1016254086.db2.gz PCJNHBYWUCUFRQ-GDBMZVCRSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H]1CCCNC1=O ZINC001401127224 1000212005 /nfs/dbraw/zinc/21/20/05/1000212005.db2.gz XBDHVHGCXZAZFG-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)CCC1 ZINC001418633724 1000409779 /nfs/dbraw/zinc/40/97/79/1000409779.db2.gz KTOFEZLZBPGKIJ-GASCZTMLSA-N 1 3 319.453 0.852 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001418672229 1000439752 /nfs/dbraw/zinc/43/97/52/1000439752.db2.gz OEUGRLMSQFESBY-ZQDZILKHSA-N 1 3 324.469 0.478 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001401492507 1000448940 /nfs/dbraw/zinc/44/89/40/1000448940.db2.gz NNSWSFZTBQHSQH-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001401555535 1000492192 /nfs/dbraw/zinc/49/21/92/1000492192.db2.gz LMJMVAVBKNWPMF-HOTGVXAUSA-N 1 3 322.453 0.605 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401598521 1000532668 /nfs/dbraw/zinc/53/26/68/1000532668.db2.gz VEMSLWCEODDFPD-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401598521 1000532672 /nfs/dbraw/zinc/53/26/72/1000532672.db2.gz VEMSLWCEODDFPD-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001418819934 1000546961 /nfs/dbraw/zinc/54/69/61/1000546961.db2.gz GUYBFNQDKODAAA-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001418820973 1000550092 /nfs/dbraw/zinc/55/00/92/1000550092.db2.gz BIBILEHCKAZOFE-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001401618114 1000554349 /nfs/dbraw/zinc/55/43/49/1000554349.db2.gz IQRMWYNNWIUOIX-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001401617156 1000554443 /nfs/dbraw/zinc/55/44/43/1000554443.db2.gz HMBSRVWRFVBJOF-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001418832312 1000558603 /nfs/dbraw/zinc/55/86/03/1000558603.db2.gz VYQZLBZLWHJFMO-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001418832312 1000558608 /nfs/dbraw/zinc/55/86/08/1000558608.db2.gz VYQZLBZLWHJFMO-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001401623506 1000561531 /nfs/dbraw/zinc/56/15/31/1000561531.db2.gz AIVHUYIKGCBUFA-VXGBXAGGSA-N 1 3 310.442 0.232 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001401624539 1000562531 /nfs/dbraw/zinc/56/25/31/1000562531.db2.gz FGQODXFFRIYZJO-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001401658261 1000598786 /nfs/dbraw/zinc/59/87/86/1000598786.db2.gz AASOLZRNKUGBCA-OCCSQVGLSA-N 1 3 300.447 0.192 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401679590 1000617737 /nfs/dbraw/zinc/61/77/37/1000617737.db2.gz DVRHYZVOZAGFCP-YNEHKIRRSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401679590 1000617741 /nfs/dbraw/zinc/61/77/41/1000617741.db2.gz DVRHYZVOZAGFCP-YNEHKIRRSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401681289 1000620390 /nfs/dbraw/zinc/62/03/90/1000620390.db2.gz QVKREPAGADUTCC-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@@H]1CCCNC1=O ZINC001418939359 1000633924 /nfs/dbraw/zinc/63/39/24/1000633924.db2.gz MMRFOWVYQQAJDE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)C1 ZINC001401697523 1000636078 /nfs/dbraw/zinc/63/60/78/1000636078.db2.gz MZKOZRLQADJZNE-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)C1 ZINC001401697523 1000636086 /nfs/dbraw/zinc/63/60/86/1000636086.db2.gz MZKOZRLQADJZNE-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001401705447 1000643181 /nfs/dbraw/zinc/64/31/81/1000643181.db2.gz MVAXAZRHGIOQKL-ZFWWWQNUSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001401705447 1000643182 /nfs/dbraw/zinc/64/31/82/1000643182.db2.gz MVAXAZRHGIOQKL-ZFWWWQNUSA-N 1 3 324.469 0.622 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401716652 1000654821 /nfs/dbraw/zinc/65/48/21/1000654821.db2.gz IGAHUDGYDGNZNH-LBPRGKRZSA-N 1 3 320.441 0.297 20 0 DCADHO C[C@@H](CN(C)CCO)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001401780577 1000719446 /nfs/dbraw/zinc/71/94/46/1000719446.db2.gz QZPWHQOSZZIVGE-UAGQMJEPSA-N 1 3 319.449 0.761 20 0 DCADHO C[C@@H](CN(C)CCO)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001401780577 1000719448 /nfs/dbraw/zinc/71/94/48/1000719448.db2.gz QZPWHQOSZZIVGE-UAGQMJEPSA-N 1 3 319.449 0.761 20 0 DCADHO C[C@H](F)CCN1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001419130759 1000800687 /nfs/dbraw/zinc/80/06/87/1000800687.db2.gz JBZAFQLCMSAGIN-LSDHHAIUSA-N 1 3 314.449 0.420 20 0 DCADHO C[C@H](F)CCN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001419130759 1000800691 /nfs/dbraw/zinc/80/06/91/1000800691.db2.gz JBZAFQLCMSAGIN-LSDHHAIUSA-N 1 3 314.449 0.420 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001419211416 1000881588 /nfs/dbraw/zinc/88/15/88/1000881588.db2.gz RWFKATZCLGFYHI-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001419272441 1000938353 /nfs/dbraw/zinc/93/83/53/1000938353.db2.gz MWAJFQSSLXMODZ-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001419274505 1000940645 /nfs/dbraw/zinc/94/06/45/1000940645.db2.gz ZULRUJVFROJEQV-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001419274505 1000940648 /nfs/dbraw/zinc/94/06/48/1000940648.db2.gz ZULRUJVFROJEQV-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001402056771 1000980846 /nfs/dbraw/zinc/98/08/46/1000980846.db2.gz NLXUXGFIOZKMEM-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001402056771 1000980852 /nfs/dbraw/zinc/98/08/52/1000980852.db2.gz NLXUXGFIOZKMEM-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001419346031 1000990253 /nfs/dbraw/zinc/99/02/53/1000990253.db2.gz LVOVKGGQLRWZQY-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001419346031 1000990259 /nfs/dbraw/zinc/99/02/59/1000990259.db2.gz LVOVKGGQLRWZQY-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001419382670 1001013822 /nfs/dbraw/zinc/01/38/22/1001013822.db2.gz IXTFLHSLJVUSQN-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)NCCN1CC[NH+](CC2CCC2)CC1 ZINC001402142620 1001055171 /nfs/dbraw/zinc/05/51/71/1001055171.db2.gz BPEYRGMDLWKHHQ-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC(C)N1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001402145015 1001059126 /nfs/dbraw/zinc/05/91/26/1001059126.db2.gz XEEYLCAEXISJIL-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO COC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001419554115 1001136065 /nfs/dbraw/zinc/13/60/65/1001136065.db2.gz JOLYLFCJXSPGFM-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO COC[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001419554115 1001136070 /nfs/dbraw/zinc/13/60/70/1001136070.db2.gz JOLYLFCJXSPGFM-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001402267422 1001157048 /nfs/dbraw/zinc/15/70/48/1001157048.db2.gz JFXLFBXAKWLFIQ-WBVHZDCISA-N 1 3 309.454 0.824 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001402267422 1001157051 /nfs/dbraw/zinc/15/70/51/1001157051.db2.gz JFXLFBXAKWLFIQ-WBVHZDCISA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1 ZINC001419605977 1001168725 /nfs/dbraw/zinc/16/87/25/1001168725.db2.gz JBPIAYZQWUXNBY-KGLIPLIRSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001419666432 1001208423 /nfs/dbraw/zinc/20/84/23/1001208423.db2.gz KZAMOUBXTAKOOG-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001419777270 1001299010 /nfs/dbraw/zinc/29/90/10/1001299010.db2.gz OHFDWPOVIRDGPO-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001419843782 1001349810 /nfs/dbraw/zinc/34/98/10/1001349810.db2.gz UTMGTXCIVYHOLG-GFCCVEGCSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001419876342 1001376416 /nfs/dbraw/zinc/37/64/16/1001376416.db2.gz ISPWNKMBKMWCRC-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001402527992 1001386417 /nfs/dbraw/zinc/38/64/17/1001386417.db2.gz GANUETSYGKZHLB-MCIONIFRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](F)CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001402599805 1001433127 /nfs/dbraw/zinc/43/31/27/1001433127.db2.gz MAAPIYWCHKHMDY-ZIAGYGMSSA-N 1 3 313.417 0.647 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001402917252 1001577555 /nfs/dbraw/zinc/57/75/55/1001577555.db2.gz MYOKVYGGIFKZMG-UKRRQHHQSA-N 1 3 309.458 0.934 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCO)C2)C1 ZINC001402944270 1001594785 /nfs/dbraw/zinc/59/47/85/1001594785.db2.gz UKWBWBYISGJBML-CVEARBPZSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CCO)C2)C1 ZINC001402944270 1001594790 /nfs/dbraw/zinc/59/47/90/1001594790.db2.gz UKWBWBYISGJBML-CVEARBPZSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@H](C)C(=O)NC1CC1 ZINC001403007801 1001630068 /nfs/dbraw/zinc/63/00/68/1001630068.db2.gz NWTANWFIECIVHJ-CHWSQXEVSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001403022195 1001637259 /nfs/dbraw/zinc/63/72/59/1001637259.db2.gz QVSIJHJTMZUAHR-OLZOCXBDSA-N 1 3 308.430 0.245 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(=O)N(C)C ZINC001403087487 1001668044 /nfs/dbraw/zinc/66/80/44/1001668044.db2.gz QKGKUZYIJCCOLX-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001420026913 1001771624 /nfs/dbraw/zinc/77/16/24/1001771624.db2.gz KAKIAHIRJPQGAA-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001505759851 1016532434 /nfs/dbraw/zinc/53/24/34/1016532434.db2.gz CCRKNTWYOJJLFD-OLZOCXBDSA-N 1 3 324.473 0.718 20 0 DCADHO Cc1nnc(CNC[C@H]2CCC[C@H]2NC(=O)CCC[NH+](C)C)[nH]1 ZINC001420119225 1001905768 /nfs/dbraw/zinc/90/57/68/1001905768.db2.gz NAYUQWDGVKXQID-ZIAGYGMSSA-N 1 3 322.457 0.829 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420195561 1002015362 /nfs/dbraw/zinc/01/53/62/1002015362.db2.gz PFHYCADTUIBHON-GJZGRUSLSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420195561 1002015372 /nfs/dbraw/zinc/01/53/72/1002015372.db2.gz PFHYCADTUIBHON-GJZGRUSLSA-N 1 3 320.437 0.299 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccsc1)N(C)C ZINC001420199763 1002027000 /nfs/dbraw/zinc/02/70/00/1002027000.db2.gz GAOGNUVGSPCCLS-KGLIPLIRSA-N 1 3 313.467 0.901 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCc1cncs1)[NH+](C)C ZINC001420202229 1002031083 /nfs/dbraw/zinc/03/10/83/1002031083.db2.gz JVGRIEGRQKOJJZ-YPMHNXCESA-N 1 3 314.455 0.296 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCc1cncs1)[NH+](C)C ZINC001420202223 1002032116 /nfs/dbraw/zinc/03/21/16/1002032116.db2.gz JVGRIEGRQKOJJZ-DGCLKSJQSA-N 1 3 314.455 0.296 20 0 DCADHO CCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001424811537 1002052736 /nfs/dbraw/zinc/05/27/36/1002052736.db2.gz VWCIQWLJPZKDSO-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001424811534 1002053085 /nfs/dbraw/zinc/05/30/85/1002053085.db2.gz VWCIQWLJPZKDSO-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCCCC1 ZINC001403522669 1002069177 /nfs/dbraw/zinc/06/91/77/1002069177.db2.gz HQMAFQSAVRUCDZ-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCn1cncn1 ZINC001424944009 1002172682 /nfs/dbraw/zinc/17/26/82/1002172682.db2.gz WJONFUYWLQPNGU-MGPQQGTHSA-N 1 3 308.430 0.055 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCn1cncn1 ZINC001424944009 1002172688 /nfs/dbraw/zinc/17/26/88/1002172688.db2.gz WJONFUYWLQPNGU-MGPQQGTHSA-N 1 3 308.430 0.055 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001403602543 1002192869 /nfs/dbraw/zinc/19/28/69/1002192869.db2.gz WXINDFWSVMDZPX-NSHDSACASA-N 1 3 308.430 0.391 20 0 DCADHO Cc1ncc(CN[C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001403628236 1002234870 /nfs/dbraw/zinc/23/48/70/1002234870.db2.gz IIWBPLBDUBBFCM-CYBMUJFWSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001403640850 1002252879 /nfs/dbraw/zinc/25/28/79/1002252879.db2.gz YVNKDAHVQDCHAE-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccnn1C ZINC001420423372 1002398482 /nfs/dbraw/zinc/39/84/82/1002398482.db2.gz MPXZZEUHMJNMLP-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccnn1C ZINC001420423372 1002398495 /nfs/dbraw/zinc/39/84/95/1002398495.db2.gz MPXZZEUHMJNMLP-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO Cc1cc(CN[C@@H](CO)CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001403709567 1002398712 /nfs/dbraw/zinc/39/87/12/1002398712.db2.gz ZGVVUMXNLNAIDY-CQSZACIVSA-N 1 3 313.467 0.883 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001425153028 1002403600 /nfs/dbraw/zinc/40/36/00/1002403600.db2.gz OZLKIWQWNYRMLT-TZMCWYRMSA-N 1 3 323.441 0.549 20 0 DCADHO COc1ccc(CNC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001420504417 1002518065 /nfs/dbraw/zinc/51/80/65/1002518065.db2.gz GJCVHGDKJFDBNO-ZDUSSCGKSA-N 1 3 318.421 0.780 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001403891653 1002691440 /nfs/dbraw/zinc/69/14/40/1002691440.db2.gz YSWPQWRUMBIZHG-MRXNPFEDSA-N 1 3 322.453 0.639 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C(C)(C)C ZINC001403955056 1002794710 /nfs/dbraw/zinc/79/47/10/1002794710.db2.gz IANIEPIFXWICIY-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C(C)(C)C ZINC001403955056 1002794719 /nfs/dbraw/zinc/79/47/19/1002794719.db2.gz IANIEPIFXWICIY-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC001403990652 1002864064 /nfs/dbraw/zinc/86/40/64/1002864064.db2.gz ZDIMCGUEBLXJTF-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CCN([C@H]2CCN(C)C2=O)CC1 ZINC001403990653 1002864314 /nfs/dbraw/zinc/86/43/14/1002864314.db2.gz ZDIMCGUEBLXJTF-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CN1C(=O)CN1CCCC1 ZINC001425617175 1002898529 /nfs/dbraw/zinc/89/85/29/1002898529.db2.gz XNHVDJWMJNTXPI-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001404066367 1002963541 /nfs/dbraw/zinc/96/35/41/1002963541.db2.gz BWIXUMVKSPAIDR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001404066367 1002963547 /nfs/dbraw/zinc/96/35/47/1002963547.db2.gz BWIXUMVKSPAIDR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001405854542 1003143681 /nfs/dbraw/zinc/14/36/81/1003143681.db2.gz DAMPTATYKPFBBT-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@H+](CCn1cncn1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001420936794 1003152498 /nfs/dbraw/zinc/15/24/98/1003152498.db2.gz ZWOUGWONCMSTKI-ZDUSSCGKSA-N 1 3 317.397 0.024 20 0 DCADHO C[N@@H+](CCn1cncn1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001420936794 1003152502 /nfs/dbraw/zinc/15/25/02/1003152502.db2.gz ZWOUGWONCMSTKI-ZDUSSCGKSA-N 1 3 317.397 0.024 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001405865309 1003154544 /nfs/dbraw/zinc/15/45/44/1003154544.db2.gz LRQFNKRZDLGOAB-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO COC[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001420947528 1003164361 /nfs/dbraw/zinc/16/43/61/1003164361.db2.gz SODXLENXFZHTFT-KGLIPLIRSA-N 1 3 313.442 0.105 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1)[NH+](C)C ZINC001405890209 1003175552 /nfs/dbraw/zinc/17/55/52/1003175552.db2.gz JVLVLOFEZHHPFF-UKRRQHHQSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001420964051 1003180427 /nfs/dbraw/zinc/18/04/27/1003180427.db2.gz ABGXMWHCSUJBJB-ZDUSSCGKSA-N 1 3 322.453 0.126 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cn(C)nn2)[C@H](C)C1 ZINC001405967005 1003228535 /nfs/dbraw/zinc/22/85/35/1003228535.db2.gz JRDAAOPWLKIHMC-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cn(C)nn2)[C@H](C)C1 ZINC001405967005 1003228547 /nfs/dbraw/zinc/22/85/47/1003228547.db2.gz JRDAAOPWLKIHMC-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CC(N)=O ZINC001406020180 1003272068 /nfs/dbraw/zinc/27/20/68/1003272068.db2.gz XBWOBJSHHHVLKW-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC(N)=O ZINC001406040468 1003290770 /nfs/dbraw/zinc/29/07/70/1003290770.db2.gz HEQDTRCVNYKNBH-KBPBESRZSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCCNC1=O ZINC001406082943 1003334083 /nfs/dbraw/zinc/33/40/83/1003334083.db2.gz SJZYTBAAGQHDSB-ZIAGYGMSSA-N 1 3 312.458 0.336 20 0 DCADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)Cc1c[nH]cn1 ZINC001426035841 1003365632 /nfs/dbraw/zinc/36/56/32/1003365632.db2.gz QAOWIFPIOVICSG-UONOGXRCSA-N 1 3 324.425 0.176 20 0 DCADHO Cc1cc(C)n(CCN(C)CCN(C)C(=O)CC[NH+](C)C)n1 ZINC001406129630 1003400336 /nfs/dbraw/zinc/40/03/36/1003400336.db2.gz FSJSXMJFAUHKQK-UHFFFAOYSA-N 1 3 309.458 0.842 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C)n[nH]1 ZINC001426166690 1003633385 /nfs/dbraw/zinc/63/33/85/1003633385.db2.gz OGEMTSSVMWOYEQ-CHWSQXEVSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C)n[nH]1 ZINC001426166690 1003633393 /nfs/dbraw/zinc/63/33/93/1003633393.db2.gz OGEMTSSVMWOYEQ-CHWSQXEVSA-N 1 3 322.457 0.685 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001406393864 1003674921 /nfs/dbraw/zinc/67/49/21/1003674921.db2.gz RFTREJJBAZMMRB-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001406412680 1003694699 /nfs/dbraw/zinc/69/46/99/1003694699.db2.gz TZNNOQSRGATVCV-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001406420756 1003701889 /nfs/dbraw/zinc/70/18/89/1003701889.db2.gz LZIRIKBVCFJKFU-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001406565907 1003855464 /nfs/dbraw/zinc/85/54/64/1003855464.db2.gz XDVGEITWALGUTE-LBPRGKRZSA-N 1 3 308.430 0.583 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)CCn1cncn1 ZINC001505989580 1016834128 /nfs/dbraw/zinc/83/41/28/1016834128.db2.gz WVJBZPDTZOHALW-ZNMIVQPWSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)CCn1cncn1 ZINC001505989580 1016834144 /nfs/dbraw/zinc/83/41/44/1016834144.db2.gz WVJBZPDTZOHALW-ZNMIVQPWSA-N 1 3 322.457 0.445 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001428572967 1004027475 /nfs/dbraw/zinc/02/74/75/1004027475.db2.gz DOJFHUHJAFDTNU-NEPJUHHUSA-N 1 3 323.441 0.612 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001406768429 1004076183 /nfs/dbraw/zinc/07/61/83/1004076183.db2.gz DTVRSXVYLXYQIU-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001406781244 1004089567 /nfs/dbraw/zinc/08/95/67/1004089567.db2.gz KBVFEXCCEYWHIT-OAHLLOKOSA-N 1 3 322.453 0.078 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001427419053 1004374698 /nfs/dbraw/zinc/37/46/98/1004374698.db2.gz AACRLWZCWCVKAZ-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001427419053 1004374710 /nfs/dbraw/zinc/37/47/10/1004374710.db2.gz AACRLWZCWCVKAZ-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001407100591 1004381035 /nfs/dbraw/zinc/38/10/35/1004381035.db2.gz DIOWIMLINYQAPU-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001407100591 1004381045 /nfs/dbraw/zinc/38/10/45/1004381045.db2.gz DIOWIMLINYQAPU-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001407113282 1004394996 /nfs/dbraw/zinc/39/49/96/1004394996.db2.gz WCAZTLJFQAZBOO-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@H]1CCCN1C ZINC001429418781 1004586963 /nfs/dbraw/zinc/58/69/63/1004586963.db2.gz XYUOJOSQWVNXJD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@H]1CCCN1C ZINC001429418781 1004586968 /nfs/dbraw/zinc/58/69/68/1004586968.db2.gz XYUOJOSQWVNXJD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407537008 1004717742 /nfs/dbraw/zinc/71/77/42/1004717742.db2.gz KCNHYHQXHXOCAP-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001407870671 1004913002 /nfs/dbraw/zinc/91/30/02/1004913002.db2.gz YFHHDTUBIRQSKR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCC(=O)N(C)C ZINC001408088264 1005031616 /nfs/dbraw/zinc/03/16/16/1005031616.db2.gz DGEBOTGWQAAITB-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001408249536 1005125013 /nfs/dbraw/zinc/12/50/13/1005125013.db2.gz BRINXOZMZFEZJB-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001408249536 1005125014 /nfs/dbraw/zinc/12/50/14/1005125014.db2.gz BRINXOZMZFEZJB-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001408256595 1005128223 /nfs/dbraw/zinc/12/82/23/1005128223.db2.gz RAJWDAGSLCYUQN-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C ZINC001414469853 1005337034 /nfs/dbraw/zinc/33/70/34/1005337034.db2.gz ZLYVVTKFAMUDPK-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001414790686 1005402720 /nfs/dbraw/zinc/40/27/20/1005402720.db2.gz GIOHUTYCZXPXER-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001415324020 1005502626 /nfs/dbraw/zinc/50/26/26/1005502626.db2.gz IEAIQTCUNGSMCB-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001415324020 1005502627 /nfs/dbraw/zinc/50/26/27/1005502627.db2.gz IEAIQTCUNGSMCB-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO COCc1nc2n(n1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC001474046582 1017002382 /nfs/dbraw/zinc/00/23/82/1017002382.db2.gz HDOICTDRMDNQAX-MCIONIFRSA-N 1 3 305.426 0.956 20 0 DCADHO COCc1nc2n(n1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC001474046582 1017002391 /nfs/dbraw/zinc/00/23/91/1017002391.db2.gz HDOICTDRMDNQAX-MCIONIFRSA-N 1 3 305.426 0.956 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001417770650 1005887587 /nfs/dbraw/zinc/88/75/87/1005887587.db2.gz SNULRHLRDLCOTI-LZWOXQAQSA-N 1 3 321.469 0.787 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001417775413 1005888460 /nfs/dbraw/zinc/88/84/60/1005888460.db2.gz RYXCBADPSPPMIL-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001417820111 1005896340 /nfs/dbraw/zinc/89/63/40/1005896340.db2.gz QEYYYSDPBVNYPB-MCIONIFRSA-N 1 3 312.458 0.417 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001418049778 1005978485 /nfs/dbraw/zinc/97/84/85/1005978485.db2.gz GNESJDCSUQWVRO-JSGCOSHPSA-N 1 3 310.442 0.184 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001418062899 1005995423 /nfs/dbraw/zinc/99/54/23/1005995423.db2.gz BOBXWYIQJBFUJS-HDJSIYSDSA-N 1 3 317.437 0.864 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438673633 1006016386 /nfs/dbraw/zinc/01/63/86/1006016386.db2.gz HTOCKCMWLYPKFC-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001438707978 1006055830 /nfs/dbraw/zinc/05/58/30/1006055830.db2.gz UNXLGIAENVXVBN-CHWSQXEVSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438712001 1006061683 /nfs/dbraw/zinc/06/16/83/1006061683.db2.gz VIYZUUDQYYWRKD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438712001 1006061696 /nfs/dbraw/zinc/06/16/96/1006061696.db2.gz VIYZUUDQYYWRKD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](NC[C@H]2CCCCN2C(=O)CC[NH+](C)C)C1=O ZINC001418164392 1006120683 /nfs/dbraw/zinc/12/06/83/1006120683.db2.gz SBJLZHQEYNJLTM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001436389940 1006158682 /nfs/dbraw/zinc/15/86/82/1006158682.db2.gz JSDFIPVUSXPGEY-IHRRRGAJSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001436433676 1006180273 /nfs/dbraw/zinc/18/02/73/1006180273.db2.gz VJVXSKXUOISMCI-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001418241614 1006234159 /nfs/dbraw/zinc/23/41/59/1006234159.db2.gz PYBPXKORELYVSR-AAEUAGOBSA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001418241614 1006234168 /nfs/dbraw/zinc/23/41/68/1006234168.db2.gz PYBPXKORELYVSR-AAEUAGOBSA-N 1 3 308.430 0.582 20 0 DCADHO CCCN1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001436707100 1006281038 /nfs/dbraw/zinc/28/10/38/1006281038.db2.gz AMXKYJFNISYLDA-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO CCCN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001436707100 1006281048 /nfs/dbraw/zinc/28/10/48/1006281048.db2.gz AMXKYJFNISYLDA-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@@H](N[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001418298549 1006325675 /nfs/dbraw/zinc/32/56/75/1006325675.db2.gz XXPIBJQDOAATBI-IUODEOHRSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001436900264 1006445997 /nfs/dbraw/zinc/44/59/97/1006445997.db2.gz JAPGJNHQXOAHTM-DZKIICNBSA-N 1 3 321.469 0.786 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001436922603 1006458513 /nfs/dbraw/zinc/45/85/13/1006458513.db2.gz BJPIVOOBEJRDEB-IHRRRGAJSA-N 1 3 308.430 0.101 20 0 DCADHO C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001439111001 1006479392 /nfs/dbraw/zinc/47/93/92/1006479392.db2.gz OAYDBMPOXODUIY-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001439111001 1006479395 /nfs/dbraw/zinc/47/93/95/1006479395.db2.gz OAYDBMPOXODUIY-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001439109234 1006479556 /nfs/dbraw/zinc/47/95/56/1006479556.db2.gz HAZMIJIRSDHGRB-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001439109234 1006479560 /nfs/dbraw/zinc/47/95/60/1006479560.db2.gz HAZMIJIRSDHGRB-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001439128479 1006498467 /nfs/dbraw/zinc/49/84/67/1006498467.db2.gz HYHQMFLDWJMZMP-JHJVBQTASA-N 1 3 308.430 0.200 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439168113 1006537938 /nfs/dbraw/zinc/53/79/38/1006537938.db2.gz PQDLVDPNGXVCHZ-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439168113 1006537950 /nfs/dbraw/zinc/53/79/50/1006537950.db2.gz PQDLVDPNGXVCHZ-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439224494 1006598427 /nfs/dbraw/zinc/59/84/27/1006598427.db2.gz IQFKQBPDTHOKBH-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CN(C)CC(C)(C)C ZINC001439257437 1006628469 /nfs/dbraw/zinc/62/84/69/1006628469.db2.gz ZSZIJCOKQWGNAR-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001439257089 1006629945 /nfs/dbraw/zinc/62/99/45/1006629945.db2.gz XZJXOXIKYIVQOK-ZDUSSCGKSA-N 1 3 320.437 0.245 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@H](C)NC(=O)CCC[NH+](C)C)C1=O ZINC001439258284 1006631725 /nfs/dbraw/zinc/63/17/25/1006631725.db2.gz NGBIDNPMWLITMJ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N[C@H]2CCN(C)C2=O)CC1 ZINC001437236635 1006744700 /nfs/dbraw/zinc/74/47/00/1006744700.db2.gz RYPURVAPKJGEDW-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001437311461 1006828477 /nfs/dbraw/zinc/82/84/77/1006828477.db2.gz MJHNDRPUZLOZCZ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)n1cc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001437315957 1006832929 /nfs/dbraw/zinc/83/29/29/1006832929.db2.gz WOEJZXBUBHPGAS-CQSZACIVSA-N 1 3 322.457 0.749 20 0 DCADHO CCCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001439456430 1006880273 /nfs/dbraw/zinc/88/02/73/1006880273.db2.gz CEFBNJRGOWJVAD-YUELXQCFSA-N 1 3 324.469 0.337 20 0 DCADHO CCCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001439456430 1006880288 /nfs/dbraw/zinc/88/02/88/1006880288.db2.gz CEFBNJRGOWJVAD-YUELXQCFSA-N 1 3 324.469 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCN(C)C1=O ZINC001439782749 1007193411 /nfs/dbraw/zinc/19/34/11/1007193411.db2.gz IOHRMAOTWZPPKW-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCN(C)C1=O ZINC001439782749 1007193415 /nfs/dbraw/zinc/19/34/15/1007193415.db2.gz IOHRMAOTWZPPKW-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001437738745 1007339316 /nfs/dbraw/zinc/33/93/16/1007339316.db2.gz KIVWPRWAAUOYBO-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001437738745 1007339333 /nfs/dbraw/zinc/33/93/33/1007339333.db2.gz KIVWPRWAAUOYBO-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOC)C1 ZINC001439993931 1007390766 /nfs/dbraw/zinc/39/07/66/1007390766.db2.gz YKWCJZOSYDIXIM-GOEBONIOSA-N 1 3 313.442 0.060 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001439993931 1007390779 /nfs/dbraw/zinc/39/07/79/1007390779.db2.gz YKWCJZOSYDIXIM-GOEBONIOSA-N 1 3 313.442 0.060 20 0 DCADHO CO[C@H](C)CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001437786752 1007405841 /nfs/dbraw/zinc/40/58/41/1007405841.db2.gz VENANQWWOVHUAO-CJNGLKHVSA-N 1 3 309.454 0.944 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001437807245 1007422925 /nfs/dbraw/zinc/42/29/25/1007422925.db2.gz NQEHSKCRVZTGON-HOTGVXAUSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001437807245 1007422930 /nfs/dbraw/zinc/42/29/30/1007422930.db2.gz NQEHSKCRVZTGON-HOTGVXAUSA-N 1 3 309.454 0.966 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001440137895 1007515735 /nfs/dbraw/zinc/51/57/35/1007515735.db2.gz RFHNHUWRRHQCJZ-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001437983741 1007560002 /nfs/dbraw/zinc/56/00/02/1007560002.db2.gz ALGFCOHSYLSAOJ-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438000073 1007573989 /nfs/dbraw/zinc/57/39/89/1007573989.db2.gz LNYITUOUIMPFES-KBPBESRZSA-N 1 3 322.453 0.126 20 0 DCADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440468712 1007801339 /nfs/dbraw/zinc/80/13/39/1007801339.db2.gz PKMYAXWOQOEOAY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001440468712 1007801347 /nfs/dbraw/zinc/80/13/47/1007801347.db2.gz PKMYAXWOQOEOAY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001440522323 1007861779 /nfs/dbraw/zinc/86/17/79/1007861779.db2.gz OQHYCRORWOTHBO-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001440597554 1007911968 /nfs/dbraw/zinc/91/19/68/1007911968.db2.gz ULIJUGKSCOULNI-GOEBONIOSA-N 1 3 321.469 0.739 20 0 DCADHO Cc1nnsc1CNC[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438538972 1007982463 /nfs/dbraw/zinc/98/24/63/1007982463.db2.gz AJRAPQJFKSLLLN-ZYHUDNBSSA-N 1 3 311.455 0.640 20 0 DCADHO Cc1nnsc1CNC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438538972 1007982471 /nfs/dbraw/zinc/98/24/71/1007982471.db2.gz AJRAPQJFKSLLLN-ZYHUDNBSSA-N 1 3 311.455 0.640 20 0 DCADHO CCCC[C@@H](CNCc1n[nH]c(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441131373 1008231658 /nfs/dbraw/zinc/23/16/58/1008231658.db2.gz IAROZQAAIDBGJU-KBPBESRZSA-N 1 3 322.457 0.829 20 0 DCADHO CCCC[C@@H](CNCc1n[nH]c(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441131373 1008231665 /nfs/dbraw/zinc/23/16/65/1008231665.db2.gz IAROZQAAIDBGJU-KBPBESRZSA-N 1 3 322.457 0.829 20 0 DCADHO CCCC[C@H](CNCc1n[nH]c(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441131379 1008232342 /nfs/dbraw/zinc/23/23/42/1008232342.db2.gz IAROZQAAIDBGJU-ZIAGYGMSSA-N 1 3 322.457 0.829 20 0 DCADHO CCCC[C@H](CNCc1n[nH]c(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441131379 1008232344 /nfs/dbraw/zinc/23/23/44/1008232344.db2.gz IAROZQAAIDBGJU-ZIAGYGMSSA-N 1 3 322.457 0.829 20 0 DCADHO CN(CC(=O)NC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001441384383 1008340952 /nfs/dbraw/zinc/34/09/52/1008340952.db2.gz FNRFKGPEYPKACY-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001441597580 1008420337 /nfs/dbraw/zinc/42/03/37/1008420337.db2.gz SPSFBRVZLZUQHO-OLZOCXBDSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N(C)C2CC2)CN1C(=O)CC[NH+](C)C ZINC001441827345 1008524541 /nfs/dbraw/zinc/52/45/41/1008524541.db2.gz AERMCTNWSRDVIN-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@H]1C ZINC001441827312 1008525755 /nfs/dbraw/zinc/52/57/55/1008525755.db2.gz VIOBTPADHBVQNQ-HIFRSBDPSA-N 1 3 307.442 0.839 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001441838519 1008550574 /nfs/dbraw/zinc/55/05/74/1008550574.db2.gz WKFMXHDBPIAHGR-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001441841757 1008559479 /nfs/dbraw/zinc/55/94/79/1008559479.db2.gz ZNLCQXNYLBXNLI-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001441841757 1008559492 /nfs/dbraw/zinc/55/94/92/1008559492.db2.gz ZNLCQXNYLBXNLI-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001453587510 1008595628 /nfs/dbraw/zinc/59/56/28/1008595628.db2.gz XCSYLQPSZSRHPZ-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001453587510 1008595638 /nfs/dbraw/zinc/59/56/38/1008595638.db2.gz XCSYLQPSZSRHPZ-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001421599288 1008778931 /nfs/dbraw/zinc/77/89/31/1008778931.db2.gz DVYSBUMNJWRGDT-QEJZJMRPSA-N 1 3 324.469 0.622 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001421687553 1008931401 /nfs/dbraw/zinc/93/14/01/1008931401.db2.gz NFCHPTPCELWGAD-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001454158872 1008966174 /nfs/dbraw/zinc/96/61/74/1008966174.db2.gz WJAKCWISYBGGLH-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001454158872 1008966183 /nfs/dbraw/zinc/96/61/83/1008966183.db2.gz WJAKCWISYBGGLH-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001442195159 1009079385 /nfs/dbraw/zinc/07/93/85/1009079385.db2.gz DXJMHJXCUPDYEL-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccn(C)n1 ZINC001442257803 1009138674 /nfs/dbraw/zinc/13/86/74/1009138674.db2.gz MYCADYPNORNMRE-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO CN(CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1)C1CCC1 ZINC001421845860 1009160591 /nfs/dbraw/zinc/16/05/91/1009160591.db2.gz LZMAWONZKYLPDT-AWEZNQCLSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C2CCC2)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001421924107 1009268971 /nfs/dbraw/zinc/26/89/71/1009268971.db2.gz CDFRXNPWHHUZNZ-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O)CC1 ZINC001421964645 1009327088 /nfs/dbraw/zinc/32/70/88/1009327088.db2.gz JEGODYNOHWSZHR-STQMWFEESA-N 1 3 312.458 0.417 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001421985562 1009363173 /nfs/dbraw/zinc/36/31/73/1009363173.db2.gz HSNWKEVMVQSDTB-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001455034104 1009456035 /nfs/dbraw/zinc/45/60/35/1009456035.db2.gz DTAVAIVRSWAWTB-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001455034104 1009456042 /nfs/dbraw/zinc/45/60/42/1009456042.db2.gz DTAVAIVRSWAWTB-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001422093137 1009481789 /nfs/dbraw/zinc/48/17/89/1009481789.db2.gz GURGYDZKJOFDJB-KGLIPLIRSA-N 1 3 310.442 0.090 20 0 DCADHO CN(CCNC(=O)CC[NH+]1CCCCC1)CCc1cnn(C)c1 ZINC001442603091 1009511648 /nfs/dbraw/zinc/51/16/48/1009511648.db2.gz QIOORHMXDNNZTR-UHFFFAOYSA-N 1 3 321.469 0.887 20 0 DCADHO COC(=O)NCCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001434171600 1009633859 /nfs/dbraw/zinc/63/38/59/1009633859.db2.gz MVVPVGCJNQFRLR-LBPRGKRZSA-N 1 3 302.419 0.121 20 0 DCADHO COC(=O)NCCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001434171600 1009633862 /nfs/dbraw/zinc/63/38/62/1009633862.db2.gz MVVPVGCJNQFRLR-LBPRGKRZSA-N 1 3 302.419 0.121 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H](CC[NH+](C)C)C2)CC1 ZINC001434354967 1009819365 /nfs/dbraw/zinc/81/93/65/1009819365.db2.gz JAGSEVRSWXGWEA-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](CC[NH+](C)C)C2)CC1=O ZINC001455625378 1009868998 /nfs/dbraw/zinc/86/89/98/1009868998.db2.gz AQPOZVZGZLZJQK-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001422326265 1009879974 /nfs/dbraw/zinc/87/99/74/1009879974.db2.gz RRCLECFEHVCGQN-CVEARBPZSA-N 1 3 320.437 0.523 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O)N(C)C ZINC001422464551 1010122099 /nfs/dbraw/zinc/12/20/99/1010122099.db2.gz YQYPGMAKCOJGAA-NEPJUHHUSA-N 1 3 300.447 0.275 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001443102744 1010143658 /nfs/dbraw/zinc/14/36/58/1010143658.db2.gz QLTQEGAXRZXCKI-AWEZNQCLSA-N 1 3 314.474 0.630 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001443228558 1010243480 /nfs/dbraw/zinc/24/34/80/1010243480.db2.gz KGWUASMOKWBGOW-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443228558 1010243489 /nfs/dbraw/zinc/24/34/89/1010243489.db2.gz KGWUASMOKWBGOW-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443325853 1010334558 /nfs/dbraw/zinc/33/45/58/1010334558.db2.gz RHRKJWZLEXDDLJ-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](NC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001422581666 1010347255 /nfs/dbraw/zinc/34/72/55/1010347255.db2.gz JOMYSCMLOHWZGK-IUODEOHRSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)CCC[NH+]1CCCC1 ZINC001422598855 1010383156 /nfs/dbraw/zinc/38/31/56/1010383156.db2.gz HXWATUIDAMJACE-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001422607872 1010394272 /nfs/dbraw/zinc/39/42/72/1010394272.db2.gz RGOSSSJOFWMDHC-ZIAGYGMSSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001422607872 1010394276 /nfs/dbraw/zinc/39/42/76/1010394276.db2.gz RGOSSSJOFWMDHC-ZIAGYGMSSA-N 1 3 322.457 0.542 20 0 DCADHO C[C@@H](CNCc1cc(CO)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422742899 1010554410 /nfs/dbraw/zinc/55/44/10/1010554410.db2.gz JZPURQPBBAQUEJ-JSGCOSHPSA-N 1 3 323.412 0.864 20 0 DCADHO C[C@@H](CNCc1cc(CO)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422742899 1010554420 /nfs/dbraw/zinc/55/44/20/1010554420.db2.gz JZPURQPBBAQUEJ-JSGCOSHPSA-N 1 3 323.412 0.864 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001422909349 1010729153 /nfs/dbraw/zinc/72/91/53/1010729153.db2.gz QWIWDGGAUCCGCK-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCc1cnnn1C ZINC001443916343 1010747494 /nfs/dbraw/zinc/74/74/94/1010747494.db2.gz LFRNJICXWUDRMA-UKRRQHHQSA-N 1 3 322.457 0.672 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCc1cnnn1C ZINC001443916343 1010747501 /nfs/dbraw/zinc/74/75/01/1010747501.db2.gz LFRNJICXWUDRMA-UKRRQHHQSA-N 1 3 322.457 0.672 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001443933641 1010757391 /nfs/dbraw/zinc/75/73/91/1010757391.db2.gz VJNAPAJQBIBAFC-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001443965867 1010780256 /nfs/dbraw/zinc/78/02/56/1010780256.db2.gz GBVQQYYHYABTAD-MELADBBJSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001443965867 1010780263 /nfs/dbraw/zinc/78/02/63/1010780263.db2.gz GBVQQYYHYABTAD-MELADBBJSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1n[nH]c(C(C)C)n1 ZINC001444032405 1010812513 /nfs/dbraw/zinc/81/25/13/1010812513.db2.gz FXVSWRFSAYPWSE-OLZOCXBDSA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C(C)C)n1 ZINC001444032405 1010812516 /nfs/dbraw/zinc/81/25/16/1010812516.db2.gz FXVSWRFSAYPWSE-OLZOCXBDSA-N 1 3 322.457 0.864 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001423043955 1010834852 /nfs/dbraw/zinc/83/48/52/1010834852.db2.gz MXHBOPCVHAHRHZ-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001423043955 1010834856 /nfs/dbraw/zinc/83/48/56/1010834856.db2.gz MXHBOPCVHAHRHZ-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001423073063 1010861997 /nfs/dbraw/zinc/86/19/97/1010861997.db2.gz KUZCMYHLISSVOJ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001423075742 1010866002 /nfs/dbraw/zinc/86/60/02/1010866002.db2.gz MCLWPHXEMGKFLT-IUODEOHRSA-N 1 3 324.473 0.672 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)NCC(N)=O ZINC001423108511 1010894524 /nfs/dbraw/zinc/89/45/24/1010894524.db2.gz ZPGACZMECRDULB-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[N@@H+](C)C1CCCCC1)NCC(N)=O ZINC001423108511 1010894527 /nfs/dbraw/zinc/89/45/27/1010894527.db2.gz ZPGACZMECRDULB-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001423276487 1011039171 /nfs/dbraw/zinc/03/91/71/1011039171.db2.gz WUGKIYHIMKCOHH-IHRRRGAJSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001423276487 1011039175 /nfs/dbraw/zinc/03/91/75/1011039175.db2.gz WUGKIYHIMKCOHH-IHRRRGAJSA-N 1 3 322.453 0.234 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cncn2C)C[C@H]1C ZINC001423365308 1011103011 /nfs/dbraw/zinc/10/30/11/1011103011.db2.gz XNECFRFSILXXEP-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cncn2C)C[C@H]1C ZINC001423365308 1011103014 /nfs/dbraw/zinc/10/30/14/1011103014.db2.gz XNECFRFSILXXEP-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001423393700 1011120620 /nfs/dbraw/zinc/12/06/20/1011120620.db2.gz WCLDYEVBZAFJRG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444662935 1011121741 /nfs/dbraw/zinc/12/17/41/1011121741.db2.gz HZFQUXFSDMUWDO-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001444662935 1011121744 /nfs/dbraw/zinc/12/17/44/1011121744.db2.gz HZFQUXFSDMUWDO-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NCC ZINC001423448453 1011156389 /nfs/dbraw/zinc/15/63/89/1011156389.db2.gz CIUFOHRAOZIYDU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)NCC ZINC001423448453 1011156393 /nfs/dbraw/zinc/15/63/93/1011156393.db2.gz CIUFOHRAOZIYDU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(N)=O)C2CCCCC2)CC[N@@H+]1C ZINC001444774005 1011167122 /nfs/dbraw/zinc/16/71/22/1011167122.db2.gz IOSZHOCILJJNEX-BPLDGKMQSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(N)=O)C2CCCCC2)CC[N@H+]1C ZINC001444774005 1011167126 /nfs/dbraw/zinc/16/71/26/1011167126.db2.gz IOSZHOCILJJNEX-BPLDGKMQSA-N 1 3 324.469 0.467 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001423479487 1011177161 /nfs/dbraw/zinc/17/71/61/1011177161.db2.gz DULDHXKCGVGZQS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001423479487 1011177163 /nfs/dbraw/zinc/17/71/63/1011177163.db2.gz DULDHXKCGVGZQS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1)C(N)=O ZINC001423547744 1011245629 /nfs/dbraw/zinc/24/56/29/1011245629.db2.gz ZHGFKIGCFDIQCZ-OCCSQVGLSA-N 1 3 324.469 0.609 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C ZINC001456622484 1011368751 /nfs/dbraw/zinc/36/87/51/1011368751.db2.gz CIKIBHJCZNTACP-KKUMJFAQSA-N 1 3 322.453 0.234 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C ZINC001456622484 1011368764 /nfs/dbraw/zinc/36/87/64/1011368764.db2.gz CIKIBHJCZNTACP-KKUMJFAQSA-N 1 3 322.453 0.234 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C(C)C ZINC001456629733 1011375870 /nfs/dbraw/zinc/37/58/70/1011375870.db2.gz XYCGHIRNGLXRPC-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C(C)C ZINC001456629733 1011375883 /nfs/dbraw/zinc/37/58/83/1011375883.db2.gz XYCGHIRNGLXRPC-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1nncc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001423640725 1011381675 /nfs/dbraw/zinc/38/16/75/1011381675.db2.gz VPBATLHPHUWESF-GDBMZVCRSA-N 1 3 320.441 0.238 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cnnn2C)C1 ZINC001423652423 1011391237 /nfs/dbraw/zinc/39/12/37/1011391237.db2.gz MEUMCBKBPTWHET-MRXNPFEDSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001533534489 1011436675 /nfs/dbraw/zinc/43/66/75/1011436675.db2.gz AFRGRFZWQKWLIP-YVACAVLKSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001533534489 1011436685 /nfs/dbraw/zinc/43/66/85/1011436685.db2.gz AFRGRFZWQKWLIP-YVACAVLKSA-N 1 3 324.469 0.457 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001509477561 1017322510 /nfs/dbraw/zinc/32/25/10/1017322510.db2.gz NOCQIEHBNVUVRU-NSHDSACASA-N 1 3 321.425 0.175 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001533740959 1011489056 /nfs/dbraw/zinc/48/90/56/1011489056.db2.gz AVVWXARRANXTQM-SNPRPXQTSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001431644277 1011498230 /nfs/dbraw/zinc/49/82/30/1011498230.db2.gz FFLHMKPBIKOCFV-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431644277 1011498235 /nfs/dbraw/zinc/49/82/35/1011498235.db2.gz FFLHMKPBIKOCFV-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](F)CNC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001445239604 1011559740 /nfs/dbraw/zinc/55/97/40/1011559740.db2.gz OSANTDVVUVBMML-KBPBESRZSA-N 1 3 303.422 0.533 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)CN(C)C(C)C ZINC001445327134 1011660510 /nfs/dbraw/zinc/66/05/10/1011660510.db2.gz GSMYZKYFEKJPHV-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001445358357 1011692390 /nfs/dbraw/zinc/69/23/90/1011692390.db2.gz AHHOIULAVWQWQB-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001445358357 1011692397 /nfs/dbraw/zinc/69/23/97/1011692397.db2.gz AHHOIULAVWQWQB-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553315032 1011889688 /nfs/dbraw/zinc/88/96/88/1011889688.db2.gz DXIRQDKHWPIQBK-IUODEOHRSA-N 1 3 306.414 0.708 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)CN1C1CC1 ZINC001553462780 1011999402 /nfs/dbraw/zinc/99/94/02/1011999402.db2.gz YOGVQKLDVHKWRK-NFAWXSAZSA-N 1 3 322.453 0.761 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553495955 1012029844 /nfs/dbraw/zinc/02/98/44/1012029844.db2.gz KFILLIPPFFZLKE-QLFBSQMISA-N 1 3 310.442 0.227 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C[NH2+]1 ZINC001553515575 1012064623 /nfs/dbraw/zinc/06/46/23/1012064623.db2.gz NPEUFJSXFMTFDK-BARDWOONSA-N 1 3 310.442 0.368 20 0 DCADHO [NH3+]C1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCCC1 ZINC001553517798 1012066764 /nfs/dbraw/zinc/06/67/64/1012066764.db2.gz MBVKUXLVDOJVOH-UONOGXRCSA-N 1 3 310.442 0.499 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553533700 1012087457 /nfs/dbraw/zinc/08/74/57/1012087457.db2.gz VUIKUTNBRZMNDF-GBJTYRQASA-N 1 3 310.442 0.354 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001536526295 1012157209 /nfs/dbraw/zinc/15/72/09/1012157209.db2.gz BAKMFQZFZNZEGE-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001536526295 1012157218 /nfs/dbraw/zinc/15/72/18/1012157218.db2.gz BAKMFQZFZNZEGE-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445762495 1012223966 /nfs/dbraw/zinc/22/39/66/1012223966.db2.gz ZBVVTVLMMOADBF-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445762495 1012223980 /nfs/dbraw/zinc/22/39/80/1012223980.db2.gz ZBVVTVLMMOADBF-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001432303398 1012287784 /nfs/dbraw/zinc/28/77/84/1012287784.db2.gz KMOOBIDEKBZZGN-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)CCn1cncn1)[NH+](C)C ZINC001445837088 1012330742 /nfs/dbraw/zinc/33/07/42/1012330742.db2.gz JDFJRKUIROJREV-KGLIPLIRSA-N 1 3 310.446 0.301 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001432439259 1012487818 /nfs/dbraw/zinc/48/78/18/1012487818.db2.gz LVSHXGCNYUPKDJ-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](F)CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001424420112 1012488419 /nfs/dbraw/zinc/48/84/19/1012488419.db2.gz ZJSXQDZDQRSGHS-DOMZBBRYSA-N 1 3 312.389 0.643 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cncn1C)C1CC1 ZINC001446021105 1012529436 /nfs/dbraw/zinc/52/94/36/1012529436.db2.gz VPJQXDFFTQXCQZ-HNNXBMFYSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001446541891 1012832523 /nfs/dbraw/zinc/83/25/23/1012832523.db2.gz GWZOPSHJXUJMLA-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO COc1cc(CNC[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001446601527 1012855764 /nfs/dbraw/zinc/85/57/64/1012855764.db2.gz HOMJYUBSSZXMMJ-INIZCTEOSA-N 1 3 324.425 0.963 20 0 DCADHO CN(C)C(=O)CN(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001506960116 1017709249 /nfs/dbraw/zinc/70/92/49/1017709249.db2.gz FOCHLTRGYPVEJU-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001497187577 1017952043 /nfs/dbraw/zinc/95/20/43/1017952043.db2.gz CZLGDWLBLKSETN-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)N(C)CC(=O)NCCCN1CC[NH+](CC2CC2)CC1 ZINC001479922603 1017978838 /nfs/dbraw/zinc/97/88/38/1017978838.db2.gz FNXPQAHAQMYCEF-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001494980860 1018203310 /nfs/dbraw/zinc/20/33/10/1018203310.db2.gz IJOYQIJNRJMEGJ-CVEARBPZSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1)N(C)C ZINC001480112642 1018214762 /nfs/dbraw/zinc/21/47/62/1018214762.db2.gz YJAJGJFJKMLGMF-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480158127 1018264504 /nfs/dbraw/zinc/26/45/04/1018264504.db2.gz JALSFZGGAXIXPY-AVGNSLFASA-N 1 3 312.458 0.336 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001497600988 1018265370 /nfs/dbraw/zinc/26/53/70/1018265370.db2.gz IUEZOYAAEJDDJQ-OVNWPICBSA-N 1 3 322.453 0.354 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001497600988 1018265387 /nfs/dbraw/zinc/26/53/87/1018265387.db2.gz IUEZOYAAEJDDJQ-OVNWPICBSA-N 1 3 322.453 0.354 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001480173891 1018282720 /nfs/dbraw/zinc/28/27/20/1018282720.db2.gz OWUBFUMBCWOHPF-JOCQHMNTSA-N 1 3 312.458 0.478 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C/CNCc1ccc2nonc2c1 ZINC001497676490 1018329217 /nfs/dbraw/zinc/32/92/17/1018329217.db2.gz ZDGKWZAGYSVFFB-ONEGZZNKSA-N 1 3 317.393 0.937 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001500229963 1018331516 /nfs/dbraw/zinc/33/15/16/1018331516.db2.gz JIUCLLUECONJAE-AAEUAGOBSA-N 1 3 321.425 0.081 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001500229963 1018331527 /nfs/dbraw/zinc/33/15/27/1018331527.db2.gz JIUCLLUECONJAE-AAEUAGOBSA-N 1 3 321.425 0.081 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)NC2CC2)C1 ZINC001497885322 1018497847 /nfs/dbraw/zinc/49/78/47/1018497847.db2.gz OODJITAPKDKRFI-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)NC2CC2)C1 ZINC001497885322 1018497851 /nfs/dbraw/zinc/49/78/51/1018497851.db2.gz OODJITAPKDKRFI-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001480413467 1018509522 /nfs/dbraw/zinc/50/95/22/1018509522.db2.gz XWHUXLZVCNFCGG-UHFFFAOYSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CCCC[NH+](C)C ZINC001497964003 1018545707 /nfs/dbraw/zinc/54/57/07/1018545707.db2.gz FHKYTDQIRVIEOI-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001497985681 1018560926 /nfs/dbraw/zinc/56/09/26/1018560926.db2.gz GNLFASZMEDWPGZ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001495534820 1018564313 /nfs/dbraw/zinc/56/43/13/1018564313.db2.gz GALDWWFMCUHDLE-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001495534820 1018564326 /nfs/dbraw/zinc/56/43/26/1018564326.db2.gz GALDWWFMCUHDLE-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495539559 1018565256 /nfs/dbraw/zinc/56/52/56/1018565256.db2.gz FIHZUBLJGZVDFN-GXTWGEPZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001495539559 1018565268 /nfs/dbraw/zinc/56/52/68/1018565268.db2.gz FIHZUBLJGZVDFN-GXTWGEPZSA-N 1 3 310.442 0.030 20 0 DCADHO COCCC[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500687098 1018579539 /nfs/dbraw/zinc/57/95/39/1018579539.db2.gz RKPMDCPGAGPTPA-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO COCCC[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500687098 1018579547 /nfs/dbraw/zinc/57/95/47/1018579547.db2.gz RKPMDCPGAGPTPA-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001498077626 1018634484 /nfs/dbraw/zinc/63/44/84/1018634484.db2.gz LSLXMCLRJLGHMJ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)CN1CCCC1 ZINC001501161169 1018928439 /nfs/dbraw/zinc/92/84/39/1018928439.db2.gz BJDQWDNAOSBPFP-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCN(C)C(=O)CN1CCCC1 ZINC001501161169 1018928448 /nfs/dbraw/zinc/92/84/48/1018928448.db2.gz BJDQWDNAOSBPFP-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496081534 1019043108 /nfs/dbraw/zinc/04/31/08/1019043108.db2.gz AODDKFPESFGVQA-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001496192678 1019151452 /nfs/dbraw/zinc/15/14/52/1019151452.db2.gz DOXURFCUOOXBEU-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cnnn2C)CC[N@@H+]1C ZINC001498548989 1019219494 /nfs/dbraw/zinc/21/94/94/1019219494.db2.gz ADIJGQAHBMICQW-TZMCWYRMSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cnnn2C)CC[N@H+]1C ZINC001498548989 1019219501 /nfs/dbraw/zinc/21/95/01/1019219501.db2.gz ADIJGQAHBMICQW-TZMCWYRMSA-N 1 3 308.430 0.093 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001496429249 1019304412 /nfs/dbraw/zinc/30/44/12/1019304412.db2.gz QXIZSHAEXWHZEI-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001498800379 1019435117 /nfs/dbraw/zinc/43/51/17/1019435117.db2.gz WYCJHLWWWGEHBF-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001498804129 1019438701 /nfs/dbraw/zinc/43/87/01/1019438701.db2.gz SRHVHHTZKMYTSL-WCQYABFASA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001498878080 1019495138 /nfs/dbraw/zinc/49/51/38/1019495138.db2.gz YJPROTRDMQLILA-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)CCn1cccn1 ZINC001496816676 1019666592 /nfs/dbraw/zinc/66/65/92/1019666592.db2.gz MKRUWGZSEDOWDN-HNNXBMFYSA-N 1 3 307.442 0.615 20 0 DCADHO CN(CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)CCn1cccn1 ZINC001496816676 1019666599 /nfs/dbraw/zinc/66/65/99/1019666599.db2.gz MKRUWGZSEDOWDN-HNNXBMFYSA-N 1 3 307.442 0.615 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@H]2CCN(C)C2=O)CC1 ZINC001493747359 1019676980 /nfs/dbraw/zinc/67/69/80/1019676980.db2.gz CWMCTYUBMNTJFV-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502136180 1019750323 /nfs/dbraw/zinc/75/03/23/1019750323.db2.gz ZNSUMDQZMZTJDJ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494083074 1019968753 /nfs/dbraw/zinc/96/87/53/1019968753.db2.gz LZBUXEMEWBRPBZ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494083074 1019968763 /nfs/dbraw/zinc/96/87/63/1019968763.db2.gz LZBUXEMEWBRPBZ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001494162310 1020031328 /nfs/dbraw/zinc/03/13/28/1020031328.db2.gz IFZNYSOAMUQWRS-HIFRSBDPSA-N 1 3 324.469 0.372 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000410470917 282182086 /nfs/dbraw/zinc/18/20/86/282182086.db2.gz PNLAFJWGEWTVFE-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000332062822 282182870 /nfs/dbraw/zinc/18/28/70/282182870.db2.gz QOUCRAYQJGDBSO-KFWWJZLASA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000332062822 282182872 /nfs/dbraw/zinc/18/28/72/282182872.db2.gz QOUCRAYQJGDBSO-KFWWJZLASA-N 1 3 322.453 0.282 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236947071 202085785 /nfs/dbraw/zinc/08/57/85/202085785.db2.gz HIMDWKWKDXZAKB-JKSUJKDBSA-N 1 3 322.497 0.766 20 0 DCADHO CCC[NH2+]CCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418487374 283388809 /nfs/dbraw/zinc/38/88/09/283388809.db2.gz IAZDBLBHSNOAHF-AWEZNQCLSA-N 1 3 300.447 0.378 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)NC(N)=O)[C@@H](C)C1 ZINC000566114985 291271106 /nfs/dbraw/zinc/27/11/06/291271106.db2.gz ALLHSLXAXHQYEW-STQMWFEESA-N 1 3 314.430 0.298 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)NC(N)=O)[C@@H](C)C1 ZINC000566114985 291271107 /nfs/dbraw/zinc/27/11/07/291271107.db2.gz ALLHSLXAXHQYEW-STQMWFEESA-N 1 3 314.430 0.298 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000566667966 291317212 /nfs/dbraw/zinc/31/72/12/291317212.db2.gz BZCHYUFPRZETGF-BZPMIXESSA-N 1 3 300.472 0.802 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423581882 240214618 /nfs/dbraw/zinc/21/46/18/240214618.db2.gz WHAHIJVDQJQOEA-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000423589894 240220609 /nfs/dbraw/zinc/22/06/09/240220609.db2.gz IJQJCEAFMOQACG-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)C(=O)c1cccc(CCNC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000567689966 291370371 /nfs/dbraw/zinc/37/03/71/291370371.db2.gz VCNWPUNRZZZWSD-KRWDZBQOSA-N 1 3 319.449 0.976 20 0 DCADHO CN(C)C(=O)c1cccc(CCNC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000567689966 291370373 /nfs/dbraw/zinc/37/03/73/291370373.db2.gz VCNWPUNRZZZWSD-KRWDZBQOSA-N 1 3 319.449 0.976 20 0 DCADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2CCN(c3ccncc3)CC2)O1 ZINC000567814879 291379357 /nfs/dbraw/zinc/37/93/57/291379357.db2.gz HYQIFYQHSKEKDO-CVEARBPZSA-N 1 3 318.421 0.921 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000569868540 291500316 /nfs/dbraw/zinc/50/03/16/291500316.db2.gz GQCRDYUPDYDRMG-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000573843106 291658690 /nfs/dbraw/zinc/65/86/90/291658690.db2.gz GUESVGYZJCDULK-CABCVRRESA-N 1 3 306.410 0.478 20 0 DCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC3CNC3)C2)CC1 ZINC000574385967 291691206 /nfs/dbraw/zinc/69/12/06/291691206.db2.gz SEMOOLARXBBCAV-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332213366 285010582 /nfs/dbraw/zinc/01/05/82/285010582.db2.gz KDWCZYZYRMMPCX-BPUTZDHNSA-N 1 3 324.469 0.866 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000339667887 253122647 /nfs/dbraw/zinc/12/26/47/253122647.db2.gz JRGQBAQUYZXSSD-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339752235 253138754 /nfs/dbraw/zinc/13/87/54/253138754.db2.gz WGFBVVIZRKYMTF-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000340186528 253213746 /nfs/dbraw/zinc/21/37/46/253213746.db2.gz RZRSXLJAGMAGIC-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000340266712 253227765 /nfs/dbraw/zinc/22/77/65/253227765.db2.gz VSWBXFJUJHKJQX-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340486802 253265051 /nfs/dbraw/zinc/26/50/51/253265051.db2.gz VCECLTZBHOXRQG-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340486802 253265053 /nfs/dbraw/zinc/26/50/53/253265053.db2.gz VCECLTZBHOXRQG-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000346144715 254014799 /nfs/dbraw/zinc/01/47/99/254014799.db2.gz AVEBIHDTWDKNGB-OWCLPIDISA-N 1 3 306.454 0.462 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000346404899 254047247 /nfs/dbraw/zinc/04/72/47/254047247.db2.gz BNQIPDCCOMZUHA-HOTGVXAUSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000346404899 254047250 /nfs/dbraw/zinc/04/72/50/254047250.db2.gz BNQIPDCCOMZUHA-HOTGVXAUSA-N 1 3 310.486 0.813 20 0 DCADHO Cn1nnc2cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc21 ZINC000347022399 254122057 /nfs/dbraw/zinc/12/20/57/254122057.db2.gz ODYGDTZPSOVJBA-CYBMUJFWSA-N 1 3 316.409 0.255 20 0 DCADHO C[NH2+]CC1CCN(Cc2c(C)nn(C)c2N2CCOCC2)CC1 ZINC000347171898 254135385 /nfs/dbraw/zinc/13/53/85/254135385.db2.gz NPONNPLMSJGLCS-UHFFFAOYSA-N 1 3 321.469 0.997 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1cncn1 ZINC000348223824 254228409 /nfs/dbraw/zinc/22/84/09/254228409.db2.gz MIMPDBJKRSQKCG-HUUCEWRRSA-N 1 3 322.457 0.714 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1cncn1 ZINC000348223824 254228411 /nfs/dbraw/zinc/22/84/11/254228411.db2.gz MIMPDBJKRSQKCG-HUUCEWRRSA-N 1 3 322.457 0.714 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000349909746 254303559 /nfs/dbraw/zinc/30/35/59/254303559.db2.gz ZFVNZVLBZNTLTM-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000349909746 254303560 /nfs/dbraw/zinc/30/35/60/254303560.db2.gz ZFVNZVLBZNTLTM-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000351608500 254352260 /nfs/dbraw/zinc/35/22/60/254352260.db2.gz NEOAUQRMQKBOME-UONOGXRCSA-N 1 3 303.472 0.861 20 0 DCADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000351608500 254352261 /nfs/dbraw/zinc/35/22/61/254352261.db2.gz NEOAUQRMQKBOME-UONOGXRCSA-N 1 3 303.472 0.861 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000236882358 285318215 /nfs/dbraw/zinc/31/82/15/285318215.db2.gz NEWBHLASIYZZNK-RDJZCZTQSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000340214129 131204267 /nfs/dbraw/zinc/20/42/67/131204267.db2.gz GPWFITMTSWILDQ-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000340214129 131204269 /nfs/dbraw/zinc/20/42/69/131204269.db2.gz GPWFITMTSWILDQ-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@@H](NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000164199247 132131559 /nfs/dbraw/zinc/13/15/59/132131559.db2.gz CRLVDIRZVWNGJB-CVEARBPZSA-N 1 3 318.469 0.671 20 0 DCADHO C[C@@H]1C[C@@H](NCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000164199247 132131561 /nfs/dbraw/zinc/13/15/61/132131561.db2.gz CRLVDIRZVWNGJB-CVEARBPZSA-N 1 3 318.469 0.671 20 0 DCADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(S(N)(=O)=O)c1 ZINC000219308398 395844796 /nfs/dbraw/zinc/84/47/96/395844796.db2.gz IXAYTURQJVEZKU-GFCCVEGCSA-N 1 3 315.439 0.563 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)NCCOCC[NH+](C)C)C1(C)C ZINC000233766077 395887566 /nfs/dbraw/zinc/88/75/66/395887566.db2.gz UKBMPURHFWRTPC-WFASDCNBSA-N 1 3 301.431 0.213 20 0 DCADHO CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000236772466 395898803 /nfs/dbraw/zinc/89/88/03/395898803.db2.gz SYWSAPFVXCQGCH-AWEZNQCLSA-N 1 3 310.442 0.271 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCCCCC1 ZINC000237390764 395912151 /nfs/dbraw/zinc/91/21/51/395912151.db2.gz NETFRIGTBXMZDJ-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CNC(=O)[C@H](N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000237460428 395913633 /nfs/dbraw/zinc/91/36/33/395913633.db2.gz XKSRGEFJAKRANB-GDBMZVCRSA-N 1 3 304.438 0.686 20 0 DCADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000261747126 396061948 /nfs/dbraw/zinc/06/19/48/396061948.db2.gz PWIYSBVWXLSYON-MRXNPFEDSA-N 1 3 304.394 0.785 20 0 DCADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000261747126 396061949 /nfs/dbraw/zinc/06/19/49/396061949.db2.gz PWIYSBVWXLSYON-MRXNPFEDSA-N 1 3 304.394 0.785 20 0 DCADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000261747126 396061951 /nfs/dbraw/zinc/06/19/51/396061951.db2.gz PWIYSBVWXLSYON-MRXNPFEDSA-N 1 3 304.394 0.785 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261797228 396067382 /nfs/dbraw/zinc/06/73/82/396067382.db2.gz IRSLEPCHUQCWPM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262014168 396089889 /nfs/dbraw/zinc/08/98/89/396089889.db2.gz HWFSNLJCWHPPOL-QGZVFWFLSA-N 1 3 316.449 0.868 20 0 DCADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262429260 396138870 /nfs/dbraw/zinc/13/88/70/396138870.db2.gz RLHLMPRIXIQAIN-HZPDHXFCSA-N 1 3 303.406 0.274 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CN1C1CC1 ZINC000278930535 396140767 /nfs/dbraw/zinc/14/07/67/396140767.db2.gz FBTDCBYHZFACDV-WOPDTQHZSA-N 1 3 303.410 0.842 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CN1C1CC1 ZINC000278930532 396140798 /nfs/dbraw/zinc/14/07/98/396140798.db2.gz FBTDCBYHZFACDV-UTUOFQBUSA-N 1 3 303.410 0.842 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)CCC[NH3+])cc2)CC1 ZINC000262641484 396167059 /nfs/dbraw/zinc/16/70/59/396167059.db2.gz KUXIVTXCBLSOOC-UHFFFAOYSA-N 1 3 304.438 0.789 20 0 DCADHO CC[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000262651646 396168623 /nfs/dbraw/zinc/16/86/23/396168623.db2.gz RGZJYSGRLDRCEQ-INIZCTEOSA-N 1 3 320.437 0.989 20 0 DCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)c2coc(CN)c2)CC1 ZINC000262755538 396179482 /nfs/dbraw/zinc/17/94/82/396179482.db2.gz AZAGYMVQIUWOPC-CYBMUJFWSA-N 1 3 308.426 0.742 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000262763685 396180123 /nfs/dbraw/zinc/18/01/23/396180123.db2.gz RHBQDFDOXDTYDT-MELADBBJSA-N 1 3 310.442 0.125 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000262859251 396188566 /nfs/dbraw/zinc/18/85/66/396188566.db2.gz LBQXZEBWKISTPN-IHRRRGAJSA-N 1 3 301.431 0.356 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000262906015 396190646 /nfs/dbraw/zinc/19/06/46/396190646.db2.gz QEHVUSCLWYKRDZ-HNNXBMFYSA-N 1 3 309.410 0.607 20 0 DCADHO CCS(=O)(=O)C[C@H](C)NCCCN1CCC[N@H+](C)CC1 ZINC000182845247 396255087 /nfs/dbraw/zinc/25/50/87/396255087.db2.gz JNSVWOHPOKEKFU-AWEZNQCLSA-N 1 3 305.488 0.427 20 0 DCADHO CCS(=O)(=O)C[C@H](C)NCCCN1CCC[N@@H+](C)CC1 ZINC000182845247 396255088 /nfs/dbraw/zinc/25/50/88/396255088.db2.gz JNSVWOHPOKEKFU-AWEZNQCLSA-N 1 3 305.488 0.427 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269297658 396405111 /nfs/dbraw/zinc/40/51/11/396405111.db2.gz ORYNIJWLNQLCQS-QGZVFWFLSA-N 1 3 318.465 0.873 20 0 DCADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000268887419 396376198 /nfs/dbraw/zinc/37/61/98/396376198.db2.gz ZGLHKVQJFMWEMK-BBRMVZONSA-N 1 3 316.409 0.770 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000580823517 396501997 /nfs/dbraw/zinc/50/19/97/396501997.db2.gz RZYZDSGHZNWIHD-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000372423156 396516455 /nfs/dbraw/zinc/51/64/55/396516455.db2.gz VWVCUCVHTKYFBV-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO COC(=O)CCN1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000595298821 396582267 /nfs/dbraw/zinc/58/22/67/396582267.db2.gz SXBTWIBZOLAOIK-CQSZACIVSA-N 1 3 311.426 0.424 20 0 DCADHO C[C@@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000581428483 396554083 /nfs/dbraw/zinc/55/40/83/396554083.db2.gz JYGOQGLCZRTQMA-ZFWWWQNUSA-N 1 3 306.414 0.433 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])CN1CCN(C)CC1 ZINC000581882538 396589334 /nfs/dbraw/zinc/58/93/34/396589334.db2.gz ZUWHPWQUQLLAMD-OAGGEKHMSA-N 1 3 310.486 0.894 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])CN1CCN(C)CC1 ZINC000581882537 396589828 /nfs/dbraw/zinc/58/98/28/396589828.db2.gz ZUWHPWQUQLLAMD-BZUAXINKSA-N 1 3 310.486 0.894 20 0 DCADHO Cn1ncc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000293456105 396610695 /nfs/dbraw/zinc/61/06/95/396610695.db2.gz CXRHWMBEIODUIX-UHFFFAOYSA-N 1 3 315.425 0.512 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)CCC[NH2+]1 ZINC000562815042 396681234 /nfs/dbraw/zinc/68/12/34/396681234.db2.gz BKDCNJKJFVLTDH-DLBZAZTESA-N 1 3 324.469 0.882 20 0 DCADHO Cc1ccc(NC(=O)CC[NH2+]C[C@@H](O)CN2CCCC2)nc1 ZINC000563140114 396706981 /nfs/dbraw/zinc/70/69/81/396706981.db2.gz DCRUEBRTYHRDPO-CQSZACIVSA-N 1 3 306.410 0.765 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563449733 396738370 /nfs/dbraw/zinc/73/83/70/396738370.db2.gz QECWIMSRJOXSEV-ZDUSSCGKSA-N 1 3 304.394 0.207 20 0 DCADHO CN(CCOCC[NH3+])CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000629578705 396796869 /nfs/dbraw/zinc/79/68/69/396796869.db2.gz DOUPKMVCRXJRNM-UHFFFAOYSA-N 1 3 309.366 0.651 20 0 DCADHO Cc1cc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000563945969 396797027 /nfs/dbraw/zinc/79/70/27/396797027.db2.gz UCPODNDNHPOWHM-UHFFFAOYSA-N 1 3 311.430 0.660 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563644873 396764957 /nfs/dbraw/zinc/76/49/57/396764957.db2.gz RDIPIWQUZOARGU-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@H](N)c1ccccc1 ZINC000375958731 396852445 /nfs/dbraw/zinc/85/24/45/396852445.db2.gz RGGJYFHPGRXJIR-USXIJHARSA-N 1 3 316.449 0.829 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(=O)NCCN1CCCCC1 ZINC000564655168 396852542 /nfs/dbraw/zinc/85/25/42/396852542.db2.gz JWQFZVJHCWCGJO-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO COC(=O)[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000596960103 396864310 /nfs/dbraw/zinc/86/43/10/396864310.db2.gz AXGSTCXUSQRNOS-JOCQHMNTSA-N 1 3 314.430 0.073 20 0 DCADHO CCN1CCN([C@@H]2CCN(C[C@H](O)C[N@H+](C)C(C)C)C2)CC1 ZINC000590603585 396813532 /nfs/dbraw/zinc/81/35/32/396813532.db2.gz XLSWRFWJFQATAY-IAGOWNOFSA-N 1 3 312.502 0.399 20 0 DCADHO CCN1CCN([C@@H]2CCN(C[C@H](O)C[N@@H+](C)C(C)C)C2)CC1 ZINC000590603585 396813538 /nfs/dbraw/zinc/81/35/38/396813538.db2.gz XLSWRFWJFQATAY-IAGOWNOFSA-N 1 3 312.502 0.399 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000564825163 396875748 /nfs/dbraw/zinc/87/57/48/396875748.db2.gz RXUUDTWSXZIRIE-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO CCCC[N@H+](C)CCNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564854170 396881658 /nfs/dbraw/zinc/88/16/58/396881658.db2.gz JVWZJDWFJJSGNS-OWCLPIDISA-N 1 3 301.475 0.778 20 0 DCADHO CCCC[N@@H+](C)CCNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564854170 396881668 /nfs/dbraw/zinc/88/16/68/396881668.db2.gz JVWZJDWFJJSGNS-OWCLPIDISA-N 1 3 301.475 0.778 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN2C2CCOCC2)CCCO1 ZINC000564954562 396909479 /nfs/dbraw/zinc/90/94/79/396909479.db2.gz USOJMSAUKPIOSB-LSDHHAIUSA-N 1 3 311.426 0.206 20 0 DCADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[NH+](C)C ZINC000376383489 396921234 /nfs/dbraw/zinc/92/12/34/396921234.db2.gz OBEMGOYUAYKICG-JALIKCBVSA-N 1 3 324.469 0.526 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])N(C)C1 ZINC000333772945 396932557 /nfs/dbraw/zinc/93/25/57/396932557.db2.gz CJDBKMGUYDRXSF-AJNGGQMLSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333847056 396933613 /nfs/dbraw/zinc/93/36/13/396933613.db2.gz WLIHGNBHBNBOFA-UONOGXRCSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333847056 396933619 /nfs/dbraw/zinc/93/36/19/396933619.db2.gz WLIHGNBHBNBOFA-UONOGXRCSA-N 1 3 310.442 0.491 20 0 DCADHO CO[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)[C@@](C)(C[NH3+])C1 ZINC000630376558 397002252 /nfs/dbraw/zinc/00/22/52/397002252.db2.gz DNVUUHMLAYFXNL-XHDPSFHLSA-N 1 3 309.435 0.972 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000572501780 397065551 /nfs/dbraw/zinc/06/55/51/397065551.db2.gz SDJNOUCDBSPBMK-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000612543383 397086633 /nfs/dbraw/zinc/08/66/33/397086633.db2.gz PRATXSLHSLZZQB-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000612543383 397086636 /nfs/dbraw/zinc/08/66/36/397086636.db2.gz PRATXSLHSLZZQB-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000630714841 397087373 /nfs/dbraw/zinc/08/73/73/397087373.db2.gz BBDHRYNONHLTPZ-KPWCQOOUSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000630714841 397087378 /nfs/dbraw/zinc/08/73/78/397087378.db2.gz BBDHRYNONHLTPZ-KPWCQOOUSA-N 1 3 312.458 0.145 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000612547914 397090887 /nfs/dbraw/zinc/09/08/87/397090887.db2.gz IBLBOVXWDSOEJA-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000612549202 397092302 /nfs/dbraw/zinc/09/23/02/397092302.db2.gz VRODVSFXHJDLJH-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO N[C@@H](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000377527320 397095013 /nfs/dbraw/zinc/09/50/13/397095013.db2.gz ZUKOZRJLKDZPDR-CVEARBPZSA-N 1 3 302.422 0.583 20 0 DCADHO CN1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)[C@H](CN)C1 ZINC000572466383 397060750 /nfs/dbraw/zinc/06/07/50/397060750.db2.gz DOTCBCQYNRMFKM-MRXNPFEDSA-N 1 3 302.422 0.090 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000377907087 397162197 /nfs/dbraw/zinc/16/21/97/397162197.db2.gz SKWZIHQDQLRKFM-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000377907087 397162199 /nfs/dbraw/zinc/16/21/99/397162199.db2.gz SKWZIHQDQLRKFM-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630854447 397118197 /nfs/dbraw/zinc/11/81/97/397118197.db2.gz GDSXKJITHKIASV-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630854447 397118201 /nfs/dbraw/zinc/11/82/01/397118201.db2.gz GDSXKJITHKIASV-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CC[C@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000592488282 397190119 /nfs/dbraw/zinc/19/01/19/397190119.db2.gz JDKJDTDWLBZJFF-UWVGGRQHSA-N 1 3 324.347 0.824 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000573855380 397213115 /nfs/dbraw/zinc/21/31/15/397213115.db2.gz DEQKAWMHLUOYLV-UHFFFAOYSA-N 1 3 300.447 0.725 20 0 DCADHO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000574041068 397230470 /nfs/dbraw/zinc/23/04/70/397230470.db2.gz ZONANVMJPZNDCP-CYBMUJFWSA-N 1 3 308.430 0.665 20 0 DCADHO O=C([C@@H]1CCCN1C1CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620478673 397277968 /nfs/dbraw/zinc/27/79/68/397277968.db2.gz FHCBSWVZMNDQJQ-CVEARBPZSA-N 1 3 307.438 0.671 20 0 DCADHO O=C([C@@H]1CCCN1C1CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620478673 397277970 /nfs/dbraw/zinc/27/79/70/397277970.db2.gz FHCBSWVZMNDQJQ-CVEARBPZSA-N 1 3 307.438 0.671 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486132 397279445 /nfs/dbraw/zinc/27/94/45/397279445.db2.gz BFBYTYAGFJECKY-HZPDHXFCSA-N 1 3 309.454 0.918 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620486132 397279449 /nfs/dbraw/zinc/27/94/49/397279449.db2.gz BFBYTYAGFJECKY-HZPDHXFCSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@H](CNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000577859179 397366987 /nfs/dbraw/zinc/36/69/87/397366987.db2.gz PACYIPMFLGYNQL-QZWWFDLISA-N 1 3 313.486 0.778 20 0 DCADHO C[C@H](C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)CN1CCCC1 ZINC000577859179 397366990 /nfs/dbraw/zinc/36/69/90/397366990.db2.gz PACYIPMFLGYNQL-QZWWFDLISA-N 1 3 313.486 0.778 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417868239 397374309 /nfs/dbraw/zinc/37/43/09/397374309.db2.gz GJZIUAGQUXXLOS-SPWCGHHHSA-N 1 3 310.442 0.617 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471640709 397448425 /nfs/dbraw/zinc/44/84/25/397448425.db2.gz ANAVASMPOXFUPF-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471640709 397448427 /nfs/dbraw/zinc/44/84/27/397448427.db2.gz ANAVASMPOXFUPF-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621652872 397409591 /nfs/dbraw/zinc/40/95/91/397409591.db2.gz IYEDCVYEQOODRA-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO CN(CCC(=O)NC[C@]1(O)CN2CCC1CC2)c1cc[nH+]cc1 ZINC000578883349 397497916 /nfs/dbraw/zinc/49/79/16/397497916.db2.gz XWYCKZWYAIGXKA-KRWDZBQOSA-N 1 3 318.421 0.481 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000579130355 397528779 /nfs/dbraw/zinc/52/87/79/397528779.db2.gz OMLRMTQVVPINEK-KGLIPLIRSA-N 1 3 312.458 0.323 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366280703 304331307 /nfs/dbraw/zinc/33/13/07/304331307.db2.gz LUSMNXXSLPQGRD-IMJJTQAJSA-N 1 3 307.438 0.840 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000246924913 286062394 /nfs/dbraw/zinc/06/23/94/286062394.db2.gz GQNQJTUYBHLCMX-KBPBESRZSA-N 1 3 321.487 0.262 20 0 DCADHO COC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127136183 158269943 /nfs/dbraw/zinc/26/99/43/158269943.db2.gz YOUOBWQJWQISIA-ZDUSSCGKSA-N 1 3 312.458 0.879 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130142994 158293842 /nfs/dbraw/zinc/29/38/42/158293842.db2.gz IHHXUYNIJBJVIC-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@](C)(O)C3CC3)CC2)CC1 ZINC000367712232 159352558 /nfs/dbraw/zinc/35/25/58/159352558.db2.gz INVBDOXDHPULBR-KRWDZBQOSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000332619240 287218514 /nfs/dbraw/zinc/21/85/14/287218514.db2.gz NJUMLFBZIXCPFI-KBUPBQIOSA-N 1 3 322.453 0.267 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000418343910 287244739 /nfs/dbraw/zinc/24/47/39/287244739.db2.gz RLMWVYQJGUMJMO-GJZGRUSLSA-N 1 3 312.458 0.378 20 0 DCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCN(CCCO)C1 ZINC000418342504 287244785 /nfs/dbraw/zinc/24/47/85/287244785.db2.gz ISNLUOBGOMYNPE-LSDHHAIUSA-N 1 3 312.458 0.522 20 0 DCADHO CC1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CC[NH2+]CC1 ZINC000418512225 287249198 /nfs/dbraw/zinc/24/91/98/287249198.db2.gz DWARDJHCMBPPEU-AWEZNQCLSA-N 1 3 312.458 0.522 20 0 DCADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419223777 287274613 /nfs/dbraw/zinc/27/46/13/287274613.db2.gz DMCVKSWGAJXNOJ-GXTWGEPZSA-N 1 3 310.442 0.091 20 0 DCADHO c1nnc2ccc(N3CCN(CC[C@H]4CCC[NH2+]C4)CC3)nn12 ZINC000420316279 287290086 /nfs/dbraw/zinc/29/00/86/287290086.db2.gz LZIWCEVRRBNBAV-CQSZACIVSA-N 1 3 315.425 0.636 20 0 DCADHO Cc1cc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)n2ncnc2n1 ZINC000420319398 287290516 /nfs/dbraw/zinc/29/05/16/287290516.db2.gz PHEULZSTHKKHSL-AWEZNQCLSA-N 1 3 315.425 0.554 20 0 DCADHO CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335911 287291299 /nfs/dbraw/zinc/29/12/99/287291299.db2.gz IBLNBSGQAUKKNN-IHRRRGAJSA-N 1 3 310.442 0.931 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343160459 415481001 /nfs/dbraw/zinc/48/10/01/415481001.db2.gz SVHQBPIDDZZCKM-IXDOHACOSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343160459 415481008 /nfs/dbraw/zinc/48/10/08/415481008.db2.gz SVHQBPIDDZZCKM-IXDOHACOSA-N 1 3 322.497 0.861 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)C(N)C(F)(F)F)CC2)CC1 ZINC000353424740 415535887 /nfs/dbraw/zinc/53/58/87/415535887.db2.gz ICGDEHCSMYSPGE-LBPRGKRZSA-N 1 3 322.375 0.551 20 0 DCADHO CO[C@H](CN)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353457560 415549626 /nfs/dbraw/zinc/54/96/26/415549626.db2.gz HHLNGXKXYNXATK-MRXNPFEDSA-N 1 3 321.421 0.751 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1CCN(CC)CC1 ZINC000353458282 415551187 /nfs/dbraw/zinc/55/11/87/415551187.db2.gz JDJWFWAPSZATFX-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000353475492 415559647 /nfs/dbraw/zinc/55/96/47/415559647.db2.gz XTSAGZGILHZHRB-AWEZNQCLSA-N 1 3 301.431 0.310 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333144867 415570388 /nfs/dbraw/zinc/57/03/88/415570388.db2.gz DMQOTJRONBBULE-BMFZPTHFSA-N 1 3 321.469 0.158 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000353636109 415610152 /nfs/dbraw/zinc/61/01/52/415610152.db2.gz FYUAXFDUAWHIAW-HUUCEWRRSA-N 1 3 313.490 0.509 20 0 DCADHO C[C@H](NC(=O)c1ccoc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212712 415614260 /nfs/dbraw/zinc/61/42/60/415614260.db2.gz JKDSLZDMDIQITJ-ZDUSSCGKSA-N 1 3 324.425 0.350 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343631399 415661133 /nfs/dbraw/zinc/66/11/33/415661133.db2.gz BHQXJMZUHPOROS-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343631399 415661139 /nfs/dbraw/zinc/66/11/39/415661139.db2.gz BHQXJMZUHPOROS-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000343634265 415664219 /nfs/dbraw/zinc/66/42/19/415664219.db2.gz FBFBYLXCDJLKBW-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1C ZINC000333560726 415684073 /nfs/dbraw/zinc/68/40/73/415684073.db2.gz KWULIRLBCKFDPG-PMOUVXMZSA-N 1 3 320.441 0.339 20 0 DCADHO C[C@@H]1CN(CCCN2CCOCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000343719560 415699264 /nfs/dbraw/zinc/69/92/64/415699264.db2.gz DWJVFTIGRUUXND-QGZVFWFLSA-N 1 3 324.513 0.809 20 0 DCADHO C[C@@H]1CN(CCCN2CCOCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000343719560 415699267 /nfs/dbraw/zinc/69/92/67/415699267.db2.gz DWJVFTIGRUUXND-QGZVFWFLSA-N 1 3 324.513 0.809 20 0 DCADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)N1CCN(C)CC1 ZINC000333919233 415764056 /nfs/dbraw/zinc/76/40/56/415764056.db2.gz OXCDAVKWZJOUQE-HUUCEWRRSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000333934087 415769492 /nfs/dbraw/zinc/76/94/92/415769492.db2.gz IGAYOMQYYIIUDL-KGLIPLIRSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000333934087 415769500 /nfs/dbraw/zinc/76/95/00/415769500.db2.gz IGAYOMQYYIIUDL-KGLIPLIRSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCCC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000343922836 415783123 /nfs/dbraw/zinc/78/31/23/415783123.db2.gz LAHADIHCHHTREB-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000343922836 415783125 /nfs/dbraw/zinc/78/31/25/415783125.db2.gz LAHADIHCHHTREB-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CN(C(C)=O)C1 ZINC000336935362 415865980 /nfs/dbraw/zinc/86/59/80/415865980.db2.gz FGBUMDMPALTDRT-MRXNPFEDSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1CN(C(C)=O)C1 ZINC000336935362 415865985 /nfs/dbraw/zinc/86/59/85/415865985.db2.gz FGBUMDMPALTDRT-MRXNPFEDSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000338201779 416056839 /nfs/dbraw/zinc/05/68/39/416056839.db2.gz AXTYCLZXJDVXTF-ZIAGYGMSSA-N 1 3 314.474 0.584 20 0 DCADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000345216804 416062319 /nfs/dbraw/zinc/06/23/19/416062319.db2.gz HJBIDCNTVFAJHA-CYBMUJFWSA-N 1 3 308.430 1.003 20 0 DCADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccsc1 ZINC000164902360 416019740 /nfs/dbraw/zinc/01/97/40/416019740.db2.gz YCGJEAFUBPILEM-MELADBBJSA-N 1 3 311.451 0.970 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000338457525 416099947 /nfs/dbraw/zinc/09/99/47/416099947.db2.gz KCAOXZRCFLZVDB-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)NCC1CCN(CCO)CC1 ZINC000175493487 416106800 /nfs/dbraw/zinc/10/68/00/416106800.db2.gz WNMQULKJQAYPSZ-UHFFFAOYSA-N 1 3 314.474 0.722 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)NCC1CCN(CCO)CC1 ZINC000175493487 416106803 /nfs/dbraw/zinc/10/68/03/416106803.db2.gz WNMQULKJQAYPSZ-UHFFFAOYSA-N 1 3 314.474 0.722 20 0 DCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000316069515 416114899 /nfs/dbraw/zinc/11/48/99/416114899.db2.gz JTSTWPWLMGHMRX-LSDHHAIUSA-N 1 3 307.394 0.942 20 0 DCADHO O=C(NC[C@H]1CCCN(CCc2cn[nH]c2)C1)[C@@H]1CCC[NH2+]1 ZINC000319352519 416118780 /nfs/dbraw/zinc/11/87/80/416118780.db2.gz QXPCEIKKBDRTNH-CABCVRRESA-N 1 3 305.426 0.532 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCc2cn[nH]c2)C1)[C@@H]1CCC[NH2+]1 ZINC000319352521 416119768 /nfs/dbraw/zinc/11/97/68/416119768.db2.gz QXPCEIKKBDRTNH-GJZGRUSLSA-N 1 3 305.426 0.532 20 0 DCADHO O=C(CC1CC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000178794584 416172209 /nfs/dbraw/zinc/17/22/09/416172209.db2.gz OSHURZVWPSXWKO-UHFFFAOYSA-N 1 3 309.454 0.947 20 0 DCADHO COCC[N@H+](C)CCCC1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000340286293 416182512 /nfs/dbraw/zinc/18/25/12/416182512.db2.gz HMNKNXLQQPBFNF-HOTGVXAUSA-N 1 3 300.443 0.817 20 0 DCADHO COCC[N@@H+](C)CCCC1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000340286293 416182514 /nfs/dbraw/zinc/18/25/14/416182514.db2.gz HMNKNXLQQPBFNF-HOTGVXAUSA-N 1 3 300.443 0.817 20 0 DCADHO CC[NH+](CC)CCSCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358069520 416186344 /nfs/dbraw/zinc/18/63/44/416186344.db2.gz TUADNTIOSABBSL-AWEZNQCLSA-N 1 3 303.472 0.244 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340788651 416195022 /nfs/dbraw/zinc/19/50/22/416195022.db2.gz AUNYWYRDDGOXHG-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340788651 416195023 /nfs/dbraw/zinc/19/50/23/416195023.db2.gz AUNYWYRDDGOXHG-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000358134873 416199089 /nfs/dbraw/zinc/19/90/89/416199089.db2.gz QTPQVBYXJKGLMJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000358134873 416199091 /nfs/dbraw/zinc/19/90/91/416199091.db2.gz QTPQVBYXJKGLMJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000358536159 416253257 /nfs/dbraw/zinc/25/32/57/416253257.db2.gz YLMGBXGNPFXBBK-CQSZACIVSA-N 1 3 312.458 0.690 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000342060492 416275600 /nfs/dbraw/zinc/27/56/00/416275600.db2.gz WODMVSNSJZKHIM-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]12 ZINC000351496390 416275837 /nfs/dbraw/zinc/27/58/37/416275837.db2.gz RMQHVRXRMLBLCX-LPEHRKFASA-N 1 3 322.331 0.434 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C1CC1 ZINC000342070573 416279213 /nfs/dbraw/zinc/27/92/13/416279213.db2.gz FMBDRKISLNDQFL-FRRDWIJNSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C1CC1 ZINC000342070573 416279217 /nfs/dbraw/zinc/27/92/17/416279217.db2.gz FMBDRKISLNDQFL-FRRDWIJNSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H]1CN(CC2(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)COC2)C[C@H]1CO ZINC000190853836 416283602 /nfs/dbraw/zinc/28/36/02/416283602.db2.gz RVGMFTUUFJUMPM-WCVJEAGWSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@@H]1CN(CC2(C[N@H+]3C[C@@H](C)[C@H](CO)C3)COC2)C[C@H]1CO ZINC000190853836 416283604 /nfs/dbraw/zinc/28/36/04/416283604.db2.gz RVGMFTUUFJUMPM-WCVJEAGWSA-N 1 3 312.454 0.123 20 0 DCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000262705172 416337080 /nfs/dbraw/zinc/33/70/80/416337080.db2.gz LSYPYBPOKNSLSO-ARFHVFGLSA-N 1 3 310.486 0.988 20 0 DCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000262705172 416337081 /nfs/dbraw/zinc/33/70/81/416337081.db2.gz LSYPYBPOKNSLSO-ARFHVFGLSA-N 1 3 310.486 0.988 20 0 DCADHO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])ccc1CN(C)C ZINC000415417213 416342341 /nfs/dbraw/zinc/34/23/41/416342341.db2.gz MEIBHKZSUNPFLE-GFCCVEGCSA-N 1 3 306.410 0.801 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416025178 416359160 /nfs/dbraw/zinc/35/91/60/416359160.db2.gz GXYHINKKZZQUQR-SECBINFHSA-N 1 3 300.325 0.144 20 0 DCADHO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419917712 416415289 /nfs/dbraw/zinc/41/52/89/416415289.db2.gz SIHGRQZFUDVTHP-CABCVRRESA-N 1 3 322.453 0.189 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419976623 416416146 /nfs/dbraw/zinc/41/61/46/416416146.db2.gz LRSLGELSGWYWAR-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000416882214 416378090 /nfs/dbraw/zinc/37/80/90/416378090.db2.gz IHXAAJXUXOXXLZ-HNNXBMFYSA-N 1 3 306.410 0.617 20 0 DCADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418706338 416388937 /nfs/dbraw/zinc/38/89/37/416388937.db2.gz OQGFJPJYOBPIMI-KGLIPLIRSA-N 1 3 300.447 0.866 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000419108351 416396155 /nfs/dbraw/zinc/39/61/55/416396155.db2.gz QNBTVKAPIXFCSG-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419292801 416399068 /nfs/dbraw/zinc/39/90/68/416399068.db2.gz ZQKUHCCNYQICQE-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419528064 416403371 /nfs/dbraw/zinc/40/33/71/416403371.db2.gz VYPVAEHRIWEAEE-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419764711 416409651 /nfs/dbraw/zinc/40/96/51/416409651.db2.gz PLNHVYFJQSYURW-SOUVJXGZSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419778204 416410967 /nfs/dbraw/zinc/41/09/67/416410967.db2.gz OEXFIFZGVVORMP-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419785754 416411240 /nfs/dbraw/zinc/41/12/40/416411240.db2.gz ZKQPXNRKJRMTKJ-RDBSUJKOSA-N 1 3 324.469 0.467 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419802090 416413273 /nfs/dbraw/zinc/41/32/73/416413273.db2.gz LEIFUWXOGJXDKL-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000583430134 416462790 /nfs/dbraw/zinc/46/27/90/416462790.db2.gz PXNPBLXCHSVLNW-RBSFLKMASA-N 1 3 310.442 0.348 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000458445698 416468711 /nfs/dbraw/zinc/46/87/11/416468711.db2.gz VLOOCNNBMSAXGT-CABCVRRESA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000458445698 416468716 /nfs/dbraw/zinc/46/87/16/416468716.db2.gz VLOOCNNBMSAXGT-CABCVRRESA-N 1 3 324.469 0.833 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000423220355 416477605 /nfs/dbraw/zinc/47/76/05/416477605.db2.gz YFRNVDPQLGXZQE-AWEZNQCLSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CN1C1CC1 ZINC000458532558 416478691 /nfs/dbraw/zinc/47/86/91/416478691.db2.gz WTSSEXOZTROUEF-IJEWVQPXSA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CN1C1CC1 ZINC000458532558 416478695 /nfs/dbraw/zinc/47/86/95/416478695.db2.gz WTSSEXOZTROUEF-IJEWVQPXSA-N 1 3 324.469 0.758 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000423241159 416479668 /nfs/dbraw/zinc/47/96/68/416479668.db2.gz UQDXYYFWDBLJFJ-JSGCOSHPSA-N 1 3 310.442 0.125 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000422270422 416424121 /nfs/dbraw/zinc/42/41/21/416424121.db2.gz OLKIIPJKOVBUMK-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000583988571 416490271 /nfs/dbraw/zinc/49/02/71/416490271.db2.gz DJZQDEKPKQOYKX-UONOGXRCSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@H]1CN ZINC000422974300 416454755 /nfs/dbraw/zinc/45/47/55/416454755.db2.gz QUWGJZZBUXSPEL-PPWQZUPISA-N 1 3 324.469 0.561 20 0 DCADHO CN(CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435621988 416528104 /nfs/dbraw/zinc/52/81/04/416528104.db2.gz PNZFGQCDXBPGID-JTQLQIEISA-N 1 3 324.347 0.839 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423621027 416528167 /nfs/dbraw/zinc/52/81/67/416528167.db2.gz KOWQLSXNVXURPT-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423621027 416528173 /nfs/dbraw/zinc/52/81/73/416528173.db2.gz KOWQLSXNVXURPT-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000423717609 416545240 /nfs/dbraw/zinc/54/52/40/416545240.db2.gz BDRRRQKSXXCTQC-KFWWJZLASA-N 1 3 324.469 0.515 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423754675 416558418 /nfs/dbraw/zinc/55/84/18/416558418.db2.gz GAHZLXUNQZBUBE-FUHWJXTLSA-N 1 3 322.497 0.862 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423366991 416498293 /nfs/dbraw/zinc/49/82/93/416498293.db2.gz MESDLWRVYPUIKX-CYBMUJFWSA-N 1 3 322.409 0.120 20 0 DCADHO COCCN(CCN(C)C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000584114275 416501651 /nfs/dbraw/zinc/50/16/51/416501651.db2.gz TYMHYNSVPJNZQL-GFCCVEGCSA-N 1 3 309.414 0.137 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423440905 416512609 /nfs/dbraw/zinc/51/26/09/416512609.db2.gz XSNDMUDJMRVENM-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423446282 416513515 /nfs/dbraw/zinc/51/35/15/416513515.db2.gz YYVWDXSZKJECOR-ZDUSSCGKSA-N 1 3 308.430 0.621 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000423768127 416564096 /nfs/dbraw/zinc/56/40/96/416564096.db2.gz ZYPLXQKYBJAUEI-HUUCEWRRSA-N 1 3 310.486 0.988 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000423768127 416564099 /nfs/dbraw/zinc/56/40/99/416564099.db2.gz ZYPLXQKYBJAUEI-HUUCEWRRSA-N 1 3 310.486 0.988 20 0 DCADHO O=C(CCOC1CNC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000423901523 416585523 /nfs/dbraw/zinc/58/55/23/416585523.db2.gz KTAGLXCZNNZVSA-CZUORRHYSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(CCOC1CNC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000423901523 416585527 /nfs/dbraw/zinc/58/55/27/416585527.db2.gz KTAGLXCZNNZVSA-CZUORRHYSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424138052 416615884 /nfs/dbraw/zinc/61/58/84/416615884.db2.gz SZLQBFJICLFUDL-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])C[C@H]2N)cn1 ZINC000424222571 416629301 /nfs/dbraw/zinc/62/93/01/416629301.db2.gz FJAHLIIDVSLEQI-AYDFFVQHSA-N 1 3 305.426 0.581 20 0 DCADHO Cc1nc(C)c(C(=O)N(CCN(C)C)CC[NH+](C)C)nc1C ZINC000545247457 416669666 /nfs/dbraw/zinc/66/96/66/416669666.db2.gz WWXPRNZWFUHHDA-UHFFFAOYSA-N 1 3 307.442 0.967 20 0 DCADHO CC(C)[C@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1C ZINC000514983690 416687062 /nfs/dbraw/zinc/68/70/62/416687062.db2.gz FMKGUPCZTMAMJL-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO COCCCN1CCC(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369049401 416720688 /nfs/dbraw/zinc/72/06/88/416720688.db2.gz UXJGDBBIOIVYHE-RHSMWYFYSA-N 1 3 309.454 0.993 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000516467991 416725329 /nfs/dbraw/zinc/72/53/29/416725329.db2.gz MGYXAKXXLBTLHX-ZOBUZTSGSA-N 1 3 308.422 0.611 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000443055196 416729009 /nfs/dbraw/zinc/72/90/09/416729009.db2.gz AUPKQLMHQHKKKO-VIFPVBQESA-N 1 3 310.320 0.435 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000557201444 416729982 /nfs/dbraw/zinc/72/99/82/416729982.db2.gz YEFUXLAJRNYZEM-KGLIPLIRSA-N 1 3 311.474 0.310 20 0 DCADHO CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000641442996 416856102 /nfs/dbraw/zinc/85/61/02/416856102.db2.gz YFHIYCRSULZHPB-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565240072 416956674 /nfs/dbraw/zinc/95/66/74/416956674.db2.gz QPDMVPWFNHHXCQ-LSDHHAIUSA-N 1 3 316.405 0.132 20 0 DCADHO CN1CCCC[C@@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000624121449 416963573 /nfs/dbraw/zinc/96/35/73/416963573.db2.gz WOMSWMQYJRVCKC-ZDUSSCGKSA-N 1 3 303.472 0.732 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000519592515 416920023 /nfs/dbraw/zinc/92/00/23/416920023.db2.gz JLHWZPNCYALNFX-QPSCCSFWSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH2+]CCCN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565361765 416971980 /nfs/dbraw/zinc/97/19/80/416971980.db2.gz YATLWISPWQKUMB-QGZVFWFLSA-N 1 3 316.405 0.792 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000641822650 417006517 /nfs/dbraw/zinc/00/65/17/417006517.db2.gz WRDRVPLJDPQRRN-UHFFFAOYSA-N 1 3 306.410 0.930 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)[C@@H](C)N2CC(C)C2)CC1 ZINC000568199751 417100124 /nfs/dbraw/zinc/10/01/24/417100124.db2.gz HIBZXWPAPFIKAB-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H]1CN(CC2CCN(C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000521986764 417039733 /nfs/dbraw/zinc/03/97/33/417039733.db2.gz UIUWQMNXBMAICM-STQMWFEESA-N 1 3 310.442 0.489 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642329756 417043466 /nfs/dbraw/zinc/04/34/66/417043466.db2.gz DKVSZZADIYYHTA-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000642439299 417051530 /nfs/dbraw/zinc/05/15/30/417051530.db2.gz AQQQCHZCPJDQRF-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000642439565 417052444 /nfs/dbraw/zinc/05/24/44/417052444.db2.gz MFJCVGYLKVVOTL-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO COCC[C@]1(C(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]C1 ZINC000430688034 417059757 /nfs/dbraw/zinc/05/97/57/417059757.db2.gz UHZVSLVWAWPLRX-HUUCEWRRSA-N 1 3 315.483 0.556 20 0 DCADHO Cc1c(C(=O)NC[C@H]2CCCN2C)nnn1C1CC[NH2+]CC1 ZINC000431063069 417103049 /nfs/dbraw/zinc/10/30/49/417103049.db2.gz XCGDWMJKNQMQAV-CYBMUJFWSA-N 1 3 306.414 0.335 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000430635338 287349201 /nfs/dbraw/zinc/34/92/01/287349201.db2.gz GSDDVCXCTLKSPC-ZDUSSCGKSA-N 1 3 309.385 0.991 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903448 417116019 /nfs/dbraw/zinc/11/60/19/417116019.db2.gz JDZHTYMQXJYXFF-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000642909788 417120111 /nfs/dbraw/zinc/12/01/11/417120111.db2.gz UJUNFGAHTAURBA-LLVKDONJSA-N 1 3 312.439 0.102 20 0 DCADHO NC(=O)c1ccc(NC(=O)CCN2CCC[C@H](C[NH3+])C2)cc1 ZINC000430619330 287347216 /nfs/dbraw/zinc/34/72/16/287347216.db2.gz BAHHXLLBLVDMID-GFCCVEGCSA-N 1 3 304.394 0.785 20 0 DCADHO C[C@H](NC1CC1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000449129154 417126877 /nfs/dbraw/zinc/12/68/77/417126877.db2.gz ZHSAFPJZNLRZEL-GOEBONIOSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@H](NC1CC1)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000449129154 417126882 /nfs/dbraw/zinc/12/68/82/417126882.db2.gz ZHSAFPJZNLRZEL-GOEBONIOSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000616998538 417149380 /nfs/dbraw/zinc/14/93/80/417149380.db2.gz PZNQWCDGKSPSRW-HUUCEWRRSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000616998538 417149388 /nfs/dbraw/zinc/14/93/88/417149388.db2.gz PZNQWCDGKSPSRW-HUUCEWRRSA-N 1 3 308.470 0.613 20 0 DCADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[NH2+]C3(C)C)n2)CC1 ZINC000568606740 417154709 /nfs/dbraw/zinc/15/47/09/417154709.db2.gz YVMQMVKDUHZGEC-ZDUSSCGKSA-N 1 3 320.441 1.412 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC000637657248 417157619 /nfs/dbraw/zinc/15/76/19/417157619.db2.gz VSRPOJNAQBBKRR-MGPQQGTHSA-N 1 3 300.447 0.687 20 0 DCADHO COCCN1CC[C@@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433124204 417230846 /nfs/dbraw/zinc/23/08/46/417230846.db2.gz ALAMAGMDOGBAQX-OAHLLOKOSA-N 1 3 312.458 0.027 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000637806262 417187904 /nfs/dbraw/zinc/18/79/04/417187904.db2.gz QQFSYIPVSQBLDW-HUUCEWRRSA-N 1 3 315.458 0.700 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643394628 417189380 /nfs/dbraw/zinc/18/93/80/417189380.db2.gz YYPADSONYQNKCJ-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643394628 417189388 /nfs/dbraw/zinc/18/93/88/417189388.db2.gz YYPADSONYQNKCJ-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000643464928 417214740 /nfs/dbraw/zinc/21/47/40/417214740.db2.gz FKUHJULENZSIQA-ARFHVFGLSA-N 1 3 324.469 0.169 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643470318 417217022 /nfs/dbraw/zinc/21/70/22/417217022.db2.gz CXCIDQMWSPPZIH-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000643494688 417224398 /nfs/dbraw/zinc/22/43/98/417224398.db2.gz ZJXKVDFACPKIDJ-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414708456 417296773 /nfs/dbraw/zinc/29/67/73/417296773.db2.gz QKJKWOPMRSAJJW-ZDUSSCGKSA-N 1 3 318.421 0.932 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414695066 417296840 /nfs/dbraw/zinc/29/68/40/417296840.db2.gz OSCNRQDRKMFSQI-CVEARBPZSA-N 1 3 310.486 0.861 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000627112442 417233551 /nfs/dbraw/zinc/23/35/51/417233551.db2.gz MENTUAATTONGFG-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)[C@@H](C[NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000433155643 417235854 /nfs/dbraw/zinc/23/58/54/417235854.db2.gz YQMRQVXOPMYOQS-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)NC1CCN([C@H]2CCOC2)CC1 ZINC000627117058 417236295 /nfs/dbraw/zinc/23/62/95/417236295.db2.gz PTCJYAWIAXSJGG-LSDHHAIUSA-N 1 3 322.453 0.824 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000643552856 417242851 /nfs/dbraw/zinc/24/28/51/417242851.db2.gz RQGWOYGEBMNBJD-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638171210 417361624 /nfs/dbraw/zinc/36/16/24/417361624.db2.gz PIMFGDQXFCOJJK-MRXNPFEDSA-N 1 3 313.442 0.183 20 0 DCADHO CN1CCC(n2ccc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)n2)CC1 ZINC000632941653 417299475 /nfs/dbraw/zinc/29/94/75/417299475.db2.gz YPCKSXMEPLXPRS-AAEUAGOBSA-N 1 3 304.398 0.728 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000570155670 417318670 /nfs/dbraw/zinc/31/86/70/417318670.db2.gz QSWXNAZCGCVSNH-QAETUUGQSA-N 1 3 313.486 0.921 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000570155670 417318677 /nfs/dbraw/zinc/31/86/77/417318677.db2.gz QSWXNAZCGCVSNH-QAETUUGQSA-N 1 3 313.486 0.921 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843739 417320571 /nfs/dbraw/zinc/32/05/71/417320571.db2.gz KRPNGPRHDNLPBR-CKEIUWERSA-N 1 3 322.453 0.174 20 0 DCADHO COc1ccc(OCC[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000415088069 417327200 /nfs/dbraw/zinc/32/72/00/417327200.db2.gz LNWNKVPECJKHRR-AWEZNQCLSA-N 1 3 321.421 0.861 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638101654 417328870 /nfs/dbraw/zinc/32/88/70/417328870.db2.gz WAVFSTWOAYBHOX-ZBFHGGJFSA-N 1 3 313.442 0.372 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)ccc1CN(C)C ZINC000633037960 417331205 /nfs/dbraw/zinc/33/12/05/417331205.db2.gz FGYCGBDNYAYWRE-OCCSQVGLSA-N 1 3 318.421 0.943 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000627303497 417341064 /nfs/dbraw/zinc/34/10/64/417341064.db2.gz STEJZLSSFFCWAW-UHFFFAOYSA-N 1 3 312.458 0.566 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000638264505 417394580 /nfs/dbraw/zinc/39/45/80/417394580.db2.gz XQSFZAINQVQZFB-GJZGRUSLSA-N 1 3 319.453 0.906 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000638270557 417397831 /nfs/dbraw/zinc/39/78/31/417397831.db2.gz ZIRBZSQGNLTDQP-PMPSAXMXSA-N 1 3 304.438 0.689 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000638277575 417403634 /nfs/dbraw/zinc/40/36/34/417403634.db2.gz LKAREYBURJGALZ-INIZCTEOSA-N 1 3 317.433 0.664 20 0 DCADHO Cc1cc(CN)oc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000638331382 417421710 /nfs/dbraw/zinc/42/17/10/417421710.db2.gz HIXGXJMXVSIZDO-UHFFFAOYSA-N 1 3 320.437 0.993 20 0 DCADHO Cc1cc(CN)oc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000638331382 417421716 /nfs/dbraw/zinc/42/17/16/417421716.db2.gz HIXGXJMXVSIZDO-UHFFFAOYSA-N 1 3 320.437 0.993 20 0 DCADHO CN(C)CCn1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000633416135 417426273 /nfs/dbraw/zinc/42/62/73/417426273.db2.gz GZIPKVORIMVKBW-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000633416135 417426277 /nfs/dbraw/zinc/42/62/77/417426277.db2.gz GZIPKVORIMVKBW-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000415324941 417365732 /nfs/dbraw/zinc/36/57/32/417365732.db2.gz VREGKBDFINZGRO-CQSZACIVSA-N 1 3 304.394 0.507 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638176620 417366009 /nfs/dbraw/zinc/36/60/09/417366009.db2.gz DWPNLZHPDURDOF-KGLIPLIRSA-N 1 3 301.431 0.086 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000570570421 417369817 /nfs/dbraw/zinc/36/98/17/417369817.db2.gz PENHGDATZBFHSU-XUXIUFHCSA-N 1 3 312.458 0.465 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000638207521 417375257 /nfs/dbraw/zinc/37/52/57/417375257.db2.gz ZDTNBMQZEBNLOL-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000638207521 417375263 /nfs/dbraw/zinc/37/52/63/417375263.db2.gz ZDTNBMQZEBNLOL-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000627364122 417376769 /nfs/dbraw/zinc/37/67/69/417376769.db2.gz HVILWPGGVRZDME-CQSZACIVSA-N 1 3 312.458 0.422 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000627364122 417376775 /nfs/dbraw/zinc/37/67/75/417376775.db2.gz HVILWPGGVRZDME-CQSZACIVSA-N 1 3 312.458 0.422 20 0 DCADHO NC(C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C(F)(F)F ZINC000638560297 417489197 /nfs/dbraw/zinc/48/91/97/417489197.db2.gz SFYWAGUBLZXNFN-VQVTYTSYSA-N 1 3 307.238 0.862 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529307150 417435856 /nfs/dbraw/zinc/43/58/56/417435856.db2.gz QKAGIGLXMYNYFQ-ZIAGYGMSSA-N 1 3 310.442 0.681 20 0 DCADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1O ZINC000571206307 417435952 /nfs/dbraw/zinc/43/59/52/417435952.db2.gz OPTUWNKVKOHCGY-PMPSAXMXSA-N 1 3 309.454 0.917 20 0 DCADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1O ZINC000571206307 417435959 /nfs/dbraw/zinc/43/59/59/417435959.db2.gz OPTUWNKVKOHCGY-PMPSAXMXSA-N 1 3 309.454 0.917 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000638397860 417443467 /nfs/dbraw/zinc/44/34/67/417443467.db2.gz QSULEDOGPJAWIS-ZIAGYGMSSA-N 1 3 301.431 0.310 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529352171 417447450 /nfs/dbraw/zinc/44/74/50/417447450.db2.gz PWOGFHLWTOWNQH-ZIAGYGMSSA-N 1 3 310.442 0.417 20 0 DCADHO CC[C@H](NCC1CN(S(=O)(=O)CC)C1)[C@@H]1CCCC[NH2+]1 ZINC000575373828 417530404 /nfs/dbraw/zinc/53/04/04/417530404.db2.gz HJTUAJYUAHYJLS-KBPBESRZSA-N 1 3 303.472 0.778 20 0 DCADHO CN1C[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC000634705309 417531062 /nfs/dbraw/zinc/53/10/62/417531062.db2.gz XRHATJCMPGBYSA-SJLPKXTDSA-N 1 3 317.433 0.834 20 0 DCADHO CN1C[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC000634705309 417531067 /nfs/dbraw/zinc/53/10/67/417531067.db2.gz XRHATJCMPGBYSA-SJLPKXTDSA-N 1 3 317.433 0.834 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](n2cc(CN)nn2)C1)[NH+](CC)CC ZINC000638906542 417581665 /nfs/dbraw/zinc/58/16/65/417581665.db2.gz UYOKYKDKBMEXQC-ZIAGYGMSSA-N 1 3 308.430 0.631 20 0 DCADHO C[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCC[C@@H](C)C1 ZINC000644521721 417612148 /nfs/dbraw/zinc/61/21/48/417612148.db2.gz DIDSJEGOMXTAFO-ZACQAIPSSA-N 1 3 312.502 0.305 20 0 DCADHO C[C@H](CNC[C@H](O)CN1CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000644521721 417612151 /nfs/dbraw/zinc/61/21/51/417612151.db2.gz DIDSJEGOMXTAFO-ZACQAIPSSA-N 1 3 312.502 0.305 20 0 DCADHO C[C@H](CNC[C@H](O)CN1CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000644521721 417612158 /nfs/dbraw/zinc/61/21/58/417612158.db2.gz DIDSJEGOMXTAFO-ZACQAIPSSA-N 1 3 312.502 0.305 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCCCC[C@H]([NH3+])C2)CC1=O ZINC000638818636 417563799 /nfs/dbraw/zinc/56/37/99/417563799.db2.gz CZJRTMNFKRRRIY-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CC(=O)N[C@@H]1CCN(CCCCC[N@@H+]2CC[C@H](NC(C)=O)C2)C1 ZINC000575999882 417569870 /nfs/dbraw/zinc/56/98/70/417569870.db2.gz NYTGECVTORPDBF-CALCHBBNSA-N 1 3 324.469 0.578 20 0 DCADHO CC(=O)N[C@@H]1CCN(CCCCC[N@H+]2CC[C@H](NC(C)=O)C2)C1 ZINC000575999882 417569877 /nfs/dbraw/zinc/56/98/77/417569877.db2.gz NYTGECVTORPDBF-CALCHBBNSA-N 1 3 324.469 0.578 20 0 DCADHO CC(=O)N[C@@H]1CC[N@@H+](CCCCCN2CC[C@H](NC(C)=O)C2)C1 ZINC000575999882 417569882 /nfs/dbraw/zinc/56/98/82/417569882.db2.gz NYTGECVTORPDBF-CALCHBBNSA-N 1 3 324.469 0.578 20 0 DCADHO CC(=O)N[C@@H]1CC[N@H+](CCCCCN2CC[C@H](NC(C)=O)C2)C1 ZINC000575999882 417569887 /nfs/dbraw/zinc/56/98/87/417569887.db2.gz NYTGECVTORPDBF-CALCHBBNSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000576569878 417618731 /nfs/dbraw/zinc/61/87/31/417618731.db2.gz CMPYZMHCBLYQRA-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000628753236 417688975 /nfs/dbraw/zinc/68/89/75/417688975.db2.gz XCBDZIMWJFRCCX-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000628753236 417688983 /nfs/dbraw/zinc/68/89/83/417688983.db2.gz XCBDZIMWJFRCCX-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC000635528319 417689761 /nfs/dbraw/zinc/68/97/61/417689761.db2.gz RDTFCGGIXQTCGG-JYJNAYRXSA-N 1 3 302.422 0.915 20 0 DCADHO C[C@H]1C[N@H+](CCc2cncn2C)CC[C@H]1N1CCN(C)CC1 ZINC000639554407 417692975 /nfs/dbraw/zinc/69/29/75/417692975.db2.gz SXRHKNHGROSTMX-DOTOQJQBSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@H]1C[N@@H+](CCc2cncn2C)CC[C@H]1N1CCN(C)CC1 ZINC000639554407 417692979 /nfs/dbraw/zinc/69/29/79/417692979.db2.gz SXRHKNHGROSTMX-DOTOQJQBSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@H]1CN(CCc2cncn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000639554407 417692982 /nfs/dbraw/zinc/69/29/82/417692982.db2.gz SXRHKNHGROSTMX-DOTOQJQBSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@@H]1C[N@H+](CCc2cnccn2)CC[C@@H]1N1CCN(C)CC1 ZINC000639553337 417693641 /nfs/dbraw/zinc/69/36/41/417693641.db2.gz MJOUJWHFQVYTGQ-WBVHZDCISA-N 1 3 303.454 0.977 20 0 DCADHO C[C@@H]1C[N@@H+](CCc2cnccn2)CC[C@@H]1N1CCN(C)CC1 ZINC000639553337 417693647 /nfs/dbraw/zinc/69/36/47/417693647.db2.gz MJOUJWHFQVYTGQ-WBVHZDCISA-N 1 3 303.454 0.977 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635560256 417700348 /nfs/dbraw/zinc/70/03/48/417700348.db2.gz JUHCRWJLTOYAAO-HOTGVXAUSA-N 1 3 310.486 0.718 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635560256 417700354 /nfs/dbraw/zinc/70/03/54/417700354.db2.gz JUHCRWJLTOYAAO-HOTGVXAUSA-N 1 3 310.486 0.718 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000577229173 417675718 /nfs/dbraw/zinc/67/57/18/417675718.db2.gz CPZSHGDSIBUASK-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000577229173 417675723 /nfs/dbraw/zinc/67/57/23/417675723.db2.gz CPZSHGDSIBUASK-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCOC3(CCN(C)CC3)C2)CC[N@@H+]1C ZINC000645324030 417731148 /nfs/dbraw/zinc/73/11/48/417731148.db2.gz XZOCLSXJMUPKQR-CABCVRRESA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCOC3(CCN(C)CC3)C2)CC[N@H+]1C ZINC000645324030 417731153 /nfs/dbraw/zinc/73/11/53/417731153.db2.gz XZOCLSXJMUPKQR-CABCVRRESA-N 1 3 324.469 0.975 20 0 DCADHO COCCNCCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000640340699 417833496 /nfs/dbraw/zinc/83/34/96/417833496.db2.gz NOQRYZLXUJUIQJ-GJZGRUSLSA-N 1 3 312.458 0.644 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662517223 417790767 /nfs/dbraw/zinc/79/07/67/417790767.db2.gz RYKMIFAQVDXTLQ-ZDUSSCGKSA-N 1 3 320.462 0.514 20 0 DCADHO O=C(c1cccc2c1CNC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662517211 417790953 /nfs/dbraw/zinc/79/09/53/417790953.db2.gz KWMHBKKGNWGXMH-CQSZACIVSA-N 1 3 300.406 0.410 20 0 DCADHO CN(C)CCn1cc(NC(=O)COC2CCC([NH3+])CC2)cn1 ZINC000645802754 417797828 /nfs/dbraw/zinc/79/78/28/417797828.db2.gz LICKTWCCDYTIMA-UHFFFAOYSA-N 1 3 309.414 0.670 20 0 DCADHO [NH3+]C1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCC1 ZINC000640467332 417849992 /nfs/dbraw/zinc/84/99/92/417849992.db2.gz RZUFDUUGMNIWBV-UHFFFAOYSA-N 1 3 310.442 0.622 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662684927 417852914 /nfs/dbraw/zinc/85/29/14/417852914.db2.gz LUIGSLDFFGXFLG-QWHCGFSZSA-N 1 3 305.426 0.900 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000662694824 417857167 /nfs/dbraw/zinc/85/71/67/417857167.db2.gz UBCBCRXRWWLPNS-CQSZACIVSA-N 1 3 322.457 0.867 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC2([NH3+])CC2)c1 ZINC000662697981 417857779 /nfs/dbraw/zinc/85/77/79/417857779.db2.gz GAPRDVJPDBIXBX-UHFFFAOYSA-N 1 3 318.421 0.476 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652192336 417860668 /nfs/dbraw/zinc/86/06/68/417860668.db2.gz YLYILHADIUPVLX-ZQDZILKHSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)N(C)C1CC1 ZINC000662714108 417867920 /nfs/dbraw/zinc/86/79/20/417867920.db2.gz WLXMBJRCHMYJPI-GXTWGEPZSA-N 1 3 320.441 0.805 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000636108258 417870784 /nfs/dbraw/zinc/87/07/84/417870784.db2.gz BYWZLRQLLLTHLO-KGLIPLIRSA-N 1 3 307.442 0.903 20 0 DCADHO C[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)CN1CCN(C)CC1 ZINC000662758807 417894060 /nfs/dbraw/zinc/89/40/60/417894060.db2.gz UEOCEOOHZICOBP-CQSZACIVSA-N 1 3 308.470 0.661 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662758825 417894920 /nfs/dbraw/zinc/89/49/20/417894920.db2.gz UKCHFXTWBYPTHD-UHFFFAOYSA-N 1 3 316.449 0.932 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662772871 417898494 /nfs/dbraw/zinc/89/84/94/417898494.db2.gz HKBGOIUSKSUMNW-XQQFMLRXSA-N 1 3 306.414 0.415 20 0 DCADHO O=C(NCCN1CCCC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662669296 417844366 /nfs/dbraw/zinc/84/43/66/417844366.db2.gz WQURMTHEZXOLJZ-CYBMUJFWSA-N 1 3 306.414 0.418 20 0 DCADHO CCN1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631729906 417926887 /nfs/dbraw/zinc/92/68/87/417926887.db2.gz KMFRBCJJMQSUOH-UHFFFAOYSA-N 1 3 303.472 0.876 20 0 DCADHO CC(C)[NH2+]CC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662859795 417928139 /nfs/dbraw/zinc/92/81/39/417928139.db2.gz ORDJNCTXEQFRAJ-INIZCTEOSA-N 1 3 305.422 0.867 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662859919 417928896 /nfs/dbraw/zinc/92/88/96/417928896.db2.gz VGFGNGFUWKBSLW-FVQHAEBGSA-N 1 3 314.433 0.875 20 0 DCADHO O=C(C[C@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000662869760 417932258 /nfs/dbraw/zinc/93/22/58/417932258.db2.gz HXPVXYLXRHMAMO-JYJNAYRXSA-N 1 3 321.396 0.766 20 0 DCADHO CN(C(=O)[C@@H](N)C(C)(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899794 417943883 /nfs/dbraw/zinc/94/38/83/417943883.db2.gz GYCGRSVBCIQWRQ-HUUCEWRRSA-N 1 3 310.486 0.987 20 0 DCADHO CN(C(=O)[C@@H](N)C(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899794 417943886 /nfs/dbraw/zinc/94/38/86/417943886.db2.gz GYCGRSVBCIQWRQ-HUUCEWRRSA-N 1 3 310.486 0.987 20 0 DCADHO [NH3+]CCC1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000652687886 417945177 /nfs/dbraw/zinc/94/51/77/417945177.db2.gz PAVYXVCDTIGDRS-HNNXBMFYSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[NH2+]1 ZINC000652702498 417949568 /nfs/dbraw/zinc/94/95/68/417949568.db2.gz YNLPEFCSMFIXFG-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000662925222 417954195 /nfs/dbraw/zinc/95/41/95/417954195.db2.gz FOCKUNGCTHQEPT-CQSZACIVSA-N 1 3 310.442 0.271 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000662943154 417958904 /nfs/dbraw/zinc/95/89/04/417958904.db2.gz PAWWSUZFRVPZHR-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000652731897 417960185 /nfs/dbraw/zinc/96/01/85/417960185.db2.gz YBEUBUXPFYIGCE-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000662972461 417967467 /nfs/dbraw/zinc/96/74/67/417967467.db2.gz JLELTSKMLPWXKN-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662979429 417970159 /nfs/dbraw/zinc/97/01/59/417970159.db2.gz BDAAYYWGTGIVOU-ILXRZTDVSA-N 1 3 324.469 0.561 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@H]3COC[C@@H]3C2)C1=O ZINC000663221478 418002772 /nfs/dbraw/zinc/00/27/72/418002772.db2.gz OIRDIOCIVCWRKF-IHRRRGAJSA-N 1 3 309.410 0.034 20 0 DCADHO Cc1cn[nH]c1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000647508943 418016407 /nfs/dbraw/zinc/01/64/07/418016407.db2.gz AOLPGJXZHLRABN-KBPBESRZSA-N 1 3 305.426 0.798 20 0 DCADHO NC(C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(F)(F)F ZINC000653184391 418041862 /nfs/dbraw/zinc/04/18/62/418041862.db2.gz PSHDYSFSHFZOSV-VLEAKVRGSA-N 1 3 309.332 0.621 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647110092 417989882 /nfs/dbraw/zinc/98/98/82/417989882.db2.gz XWKVBERWDMOYGF-SOUVJXGZSA-N 1 3 324.469 0.243 20 0 DCADHO C[NH+]1CCC(CNCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647180339 417997069 /nfs/dbraw/zinc/99/70/69/417997069.db2.gz SSUDZFXZVVWUQF-UHFFFAOYSA-N 1 3 315.414 0.905 20 0 DCADHO C[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659510072 418108449 /nfs/dbraw/zinc/10/84/49/418108449.db2.gz JYLQXCFEJOODGM-DZKIICNBSA-N 1 3 324.469 0.927 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)N[C@H]1CC[NH2+]C1 ZINC000659515955 418109623 /nfs/dbraw/zinc/10/96/23/418109623.db2.gz MSMVAVUDYDLXHM-HOTGVXAUSA-N 1 3 318.421 0.414 20 0 DCADHO [NH3+]CC[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)C(F)F ZINC000659552317 418117559 /nfs/dbraw/zinc/11/75/59/418117559.db2.gz XZHSZWPPCHTUFX-NWDGAFQWSA-N 1 3 320.384 0.521 20 0 DCADHO N[C@H]1CCCCN(CC(=O)NC[C@@H]([NH3+])c2ccccc2)C1=O ZINC000647767336 418051967 /nfs/dbraw/zinc/05/19/67/418051967.db2.gz DJQOIZOTFSRBMJ-UONOGXRCSA-N 1 3 304.394 0.142 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCOCC1 ZINC000663746909 418052458 /nfs/dbraw/zinc/05/24/58/418052458.db2.gz BDTKMDAOHUQUTB-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCOCC1 ZINC000663746909 418052460 /nfs/dbraw/zinc/05/24/60/418052460.db2.gz BDTKMDAOHUQUTB-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[NH+](CC)CC ZINC000647825916 418058851 /nfs/dbraw/zinc/05/88/51/418058851.db2.gz NSDGOKODUYLJFT-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000659111933 418063400 /nfs/dbraw/zinc/06/34/00/418063400.db2.gz MZZBZWJCCREHGC-GFCCVEGCSA-N 1 3 322.409 0.290 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nccn1C ZINC000663976794 418071291 /nfs/dbraw/zinc/07/12/91/418071291.db2.gz YSKFSGMZAFFSPD-ZDUSSCGKSA-N 1 3 310.446 0.491 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nccn1C ZINC000663976794 418071294 /nfs/dbraw/zinc/07/12/94/418071294.db2.gz YSKFSGMZAFFSPD-ZDUSSCGKSA-N 1 3 310.446 0.491 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCC(C)(C)N2CCOCC2)CC1 ZINC000647908820 418074021 /nfs/dbraw/zinc/07/40/21/418074021.db2.gz OZXUQZZGJCEFMA-UHFFFAOYSA-N 1 3 313.486 0.922 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978824 418083080 /nfs/dbraw/zinc/08/30/80/418083080.db2.gz YUWUKLKFYYYSOB-KBPBESRZSA-N 1 3 303.472 0.637 20 0 DCADHO CCNS(=O)(=O)[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647990802 418084341 /nfs/dbraw/zinc/08/43/41/418084341.db2.gz IXQMJIKNTJWTRT-AWEZNQCLSA-N 1 3 303.472 0.780 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664131120 418088291 /nfs/dbraw/zinc/08/82/91/418088291.db2.gz YAHRZDCYYPLATJ-CJNGLKHVSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664131120 418088294 /nfs/dbraw/zinc/08/82/94/418088294.db2.gz YAHRZDCYYPLATJ-CJNGLKHVSA-N 1 3 322.453 0.464 20 0 DCADHO C[C@@H](CO)[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664198471 418097292 /nfs/dbraw/zinc/09/72/92/418097292.db2.gz JIRLYOIUYDQVGN-MELADBBJSA-N 1 3 302.463 0.575 20 0 DCADHO C[C@@H](CO)[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664198471 418097296 /nfs/dbraw/zinc/09/72/96/418097296.db2.gz JIRLYOIUYDQVGN-MELADBBJSA-N 1 3 302.463 0.575 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H](C)CO ZINC000664198473 418097551 /nfs/dbraw/zinc/09/75/51/418097551.db2.gz JIRLYOIUYDQVGN-RDBSUJKOSA-N 1 3 302.463 0.575 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H](C)CO ZINC000664198473 418097553 /nfs/dbraw/zinc/09/75/53/418097553.db2.gz JIRLYOIUYDQVGN-RDBSUJKOSA-N 1 3 302.463 0.575 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000659609794 418126059 /nfs/dbraw/zinc/12/60/59/418126059.db2.gz LQEXLRMZRZKOCQ-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659615888 418128902 /nfs/dbraw/zinc/12/89/02/418128902.db2.gz BEWMSWOFHQORAJ-CKDBGZEDSA-N 1 3 321.469 0.160 20 0 DCADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632008 418133260 /nfs/dbraw/zinc/13/32/60/418133260.db2.gz NRCGYVDNNFYGAE-CMPLNLGQSA-N 1 3 320.397 0.019 20 0 DCADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632008 418133261 /nfs/dbraw/zinc/13/32/61/418133261.db2.gz NRCGYVDNNFYGAE-CMPLNLGQSA-N 1 3 320.397 0.019 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000659681451 418145718 /nfs/dbraw/zinc/14/57/18/418145718.db2.gz VTUXMFBWIZANHP-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C(=O)NCCOCC[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000664731767 418150275 /nfs/dbraw/zinc/15/02/75/418150275.db2.gz JTHDYHJVFLXQOA-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000659713028 418157990 /nfs/dbraw/zinc/15/79/90/418157990.db2.gz AEMRUXFBIJZVGY-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000659714638 418158336 /nfs/dbraw/zinc/15/83/36/418158336.db2.gz KSBVUAWWLGYHFW-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000659725512 418165307 /nfs/dbraw/zinc/16/53/07/418165307.db2.gz XUNRRDJQJVLLOJ-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659736214 418169148 /nfs/dbraw/zinc/16/91/48/418169148.db2.gz LSKMVRJTVUFEHH-UONOGXRCSA-N 1 3 322.453 0.459 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000659739240 418171688 /nfs/dbraw/zinc/17/16/88/418171688.db2.gz OMFSVUWVKJBDGO-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)c2ccccc2O1 ZINC000649347232 418245905 /nfs/dbraw/zinc/24/59/05/418245905.db2.gz MIDUZRHSQSWNLR-AWEZNQCLSA-N 1 3 319.405 0.721 20 0 DCADHO CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCN(C)C1 ZINC000649000560 418184474 /nfs/dbraw/zinc/18/44/74/418184474.db2.gz XRHAVGILOHVRKL-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649071703 418190122 /nfs/dbraw/zinc/19/01/22/418190122.db2.gz PMRWWQTVTWNPHX-STQMWFEESA-N 1 3 312.458 0.732 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665555741 418220822 /nfs/dbraw/zinc/22/08/22/418220822.db2.gz KOXBDXHXUQMWTR-ZDUSSCGKSA-N 1 3 312.458 0.615 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665555741 418220825 /nfs/dbraw/zinc/22/08/25/418220825.db2.gz KOXBDXHXUQMWTR-ZDUSSCGKSA-N 1 3 312.458 0.615 20 0 DCADHO COC[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)OC ZINC000660058049 418225371 /nfs/dbraw/zinc/22/53/71/418225371.db2.gz UVLHPHKMMSLJIW-AWEZNQCLSA-N 1 3 301.431 0.038 20 0 DCADHO CC(C)[NH+]1CCC(N2CCN(CCc3c[nH]nn3)CC2)CC1 ZINC000660107532 418232783 /nfs/dbraw/zinc/23/27/83/418232783.db2.gz NWWPBCBLZCIDQG-UHFFFAOYSA-N 1 3 306.458 0.838 20 0 DCADHO C[C@@H](NC(=O)CN1CCCC[C@H](N)C1=O)C1CC[NH+](C)CC1 ZINC000649314556 418233447 /nfs/dbraw/zinc/23/34/47/418233447.db2.gz BLZMGPMOMOYCLY-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)CCn1cc(NC(=O)c2csc(CC[NH3+])n2)cn1 ZINC000649312566 418234402 /nfs/dbraw/zinc/23/44/02/418234402.db2.gz ZURRXISZPOSLMP-UHFFFAOYSA-N 1 3 308.411 0.655 20 0 DCADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)C(F)(F)F ZINC000655929167 418303558 /nfs/dbraw/zinc/30/35/58/418303558.db2.gz XWVPWGBXEBZMGV-VHSXEESVSA-N 1 3 312.336 0.022 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655960887 418307041 /nfs/dbraw/zinc/30/70/41/418307041.db2.gz BURFUWIDYJBMQP-HOTGVXAUSA-N 1 3 323.485 0.598 20 0 DCADHO CN(C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000660476177 418261716 /nfs/dbraw/zinc/26/17/16/418261716.db2.gz XQJNCIOEKORPED-DLBZAZTESA-N 1 3 311.470 0.628 20 0 DCADHO CN(C[C@@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000660476177 418261718 /nfs/dbraw/zinc/26/17/18/418261718.db2.gz XQJNCIOEKORPED-DLBZAZTESA-N 1 3 311.470 0.628 20 0 DCADHO C[N@H+](C[C@@H](O)CN1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000660476177 418261719 /nfs/dbraw/zinc/26/17/19/418261719.db2.gz XQJNCIOEKORPED-DLBZAZTESA-N 1 3 311.470 0.628 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000660476177 418261721 /nfs/dbraw/zinc/26/17/21/418261721.db2.gz XQJNCIOEKORPED-DLBZAZTESA-N 1 3 311.470 0.628 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474876 418261921 /nfs/dbraw/zinc/26/19/21/418261921.db2.gz OEPBJQUNDMEZSP-SJORKVTESA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474876 418261924 /nfs/dbraw/zinc/26/19/24/418261924.db2.gz OEPBJQUNDMEZSP-SJORKVTESA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474876 418261927 /nfs/dbraw/zinc/26/19/27/418261927.db2.gz OEPBJQUNDMEZSP-SJORKVTESA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474876 418261930 /nfs/dbraw/zinc/26/19/30/418261930.db2.gz OEPBJQUNDMEZSP-SJORKVTESA-N 1 3 313.486 0.874 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449392 418263214 /nfs/dbraw/zinc/26/32/14/418263214.db2.gz DHQJLGDFJFTADV-NVXWUHKLSA-N 1 3 308.470 0.520 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655468368 418266274 /nfs/dbraw/zinc/26/62/74/418266274.db2.gz MZEACSPYERMNOI-RDJZCZTQSA-N 1 3 308.470 0.472 20 0 DCADHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1OCC(N)=O ZINC000656198216 418335246 /nfs/dbraw/zinc/33/52/46/418335246.db2.gz WVZATYQNUTYMKW-STQMWFEESA-N 1 3 307.394 0.919 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656283482 418339784 /nfs/dbraw/zinc/33/97/84/418339784.db2.gz BBAQSHQFJSNXAZ-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656296835 418341305 /nfs/dbraw/zinc/34/13/05/418341305.db2.gz YIPZJSUTIWHBTG-GASCZTMLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@](C)(O)CN(C)C ZINC000651194039 418353514 /nfs/dbraw/zinc/35/35/14/418353514.db2.gz QXEGIUSOIHANCH-HNNXBMFYSA-N 1 3 302.463 0.576 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@](C)(O)CN(C)C ZINC000651194039 418353517 /nfs/dbraw/zinc/35/35/17/418353517.db2.gz QXEGIUSOIHANCH-HNNXBMFYSA-N 1 3 302.463 0.576 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCO1 ZINC000656540556 418360978 /nfs/dbraw/zinc/36/09/78/418360978.db2.gz LFZBOPNGETZMEB-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCO1 ZINC000656540556 418360981 /nfs/dbraw/zinc/36/09/81/418360981.db2.gz LFZBOPNGETZMEB-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000662260747 418394595 /nfs/dbraw/zinc/39/45/95/418394595.db2.gz BVPPCISXKKPAQN-CVEARBPZSA-N 1 3 309.454 0.694 20 0 DCADHO C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000662260747 418394597 /nfs/dbraw/zinc/39/45/97/418394597.db2.gz BVPPCISXKKPAQN-CVEARBPZSA-N 1 3 309.454 0.694 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662403276 418407172 /nfs/dbraw/zinc/40/71/72/418407172.db2.gz CWINAJZMQUBLCH-CYBMUJFWSA-N 1 3 316.405 0.217 20 0 DCADHO CN(C)[C@@]1(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCSC1 ZINC000662489009 418412447 /nfs/dbraw/zinc/41/24/47/418412447.db2.gz CVNGTUPAKXWNRZ-XHDPSFHLSA-N 1 3 323.466 0.654 20 0 DCADHO CN(C)[C@H](CNC(=O)c1cn(CC[NH3+])nn1)Cc1ccccc1 ZINC000662346794 418402745 /nfs/dbraw/zinc/40/27/45/418402745.db2.gz UYSQMIGWRNASAQ-AWEZNQCLSA-N 1 3 316.409 0.140 20 0 DCADHO C[NH2+]CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237381555 261159457 /nfs/dbraw/zinc/15/94/57/261159457.db2.gz CNULIFYICZOPTE-UHFFFAOYSA-N 1 3 304.438 0.924 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)C1=CCN(C)CC1 ZINC000354688878 261259328 /nfs/dbraw/zinc/25/93/28/261259328.db2.gz SLPOHRGJKURGCH-CYBMUJFWSA-N 1 3 322.453 0.354 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354721163 261263330 /nfs/dbraw/zinc/26/33/30/261263330.db2.gz YPCSZJKPVAULCA-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416836085 262240733 /nfs/dbraw/zinc/24/07/33/262240733.db2.gz GBHNMEFXQTXQNA-CVEARBPZSA-N 1 3 318.421 0.549 20 0 DCADHO COCCN(C)CCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417436438 262251769 /nfs/dbraw/zinc/25/17/69/262251769.db2.gz DUZDSFWAMGAOGM-UHFFFAOYSA-N 1 3 306.410 0.667 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000417804523 262262046 /nfs/dbraw/zinc/26/20/46/262262046.db2.gz GPWVNRLCFUPKSJ-UKRRQHHQSA-N 1 3 312.458 0.864 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417821499 262262515 /nfs/dbraw/zinc/26/25/15/262262515.db2.gz ZGHWAUXWBKAMOX-UHFFFAOYSA-N 1 3 300.447 0.912 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCSC1 ZINC000417823797 262262816 /nfs/dbraw/zinc/26/28/16/262262816.db2.gz KFQASBSCAOHMPM-YDHLFZDLSA-N 1 3 312.483 0.675 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000417845147 262263556 /nfs/dbraw/zinc/26/35/56/262263556.db2.gz XGSFTQXEKXZWMQ-CABCVRRESA-N 1 3 304.438 0.732 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000417845150 262263741 /nfs/dbraw/zinc/26/37/41/262263741.db2.gz XGSFTQXEKXZWMQ-LSDHHAIUSA-N 1 3 304.438 0.732 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CC[NH2+]C2)ccn1 ZINC000417961676 262266191 /nfs/dbraw/zinc/26/61/91/262266191.db2.gz YVANAFVMEHOZPJ-CYBMUJFWSA-N 1 3 307.398 0.183 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCN1C ZINC000418001442 262267579 /nfs/dbraw/zinc/26/75/79/262267579.db2.gz KQTKWZUDRWCQGW-QLFBSQMISA-N 1 3 309.458 0.158 20 0 DCADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000418055313 262268838 /nfs/dbraw/zinc/26/88/38/262268838.db2.gz IFSQKCIYPIBJTC-INIZCTEOSA-N 1 3 320.437 0.578 20 0 DCADHO CCC[NH2+]CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418108149 262270273 /nfs/dbraw/zinc/27/02/73/262270273.db2.gz AGSIWWBSVNAYSI-CQSZACIVSA-N 1 3 300.447 0.786 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418160249 262271667 /nfs/dbraw/zinc/27/16/67/262271667.db2.gz CZURMINWTMBLSG-UHFFFAOYSA-N 1 3 313.490 0.639 20 0 DCADHO C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CCN(C2CC2)C1 ZINC000418291059 262273930 /nfs/dbraw/zinc/27/39/30/262273930.db2.gz URIUTFIGDITKIT-HNNXBMFYSA-N 1 3 323.485 0.407 20 0 DCADHO C[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418318878 262274748 /nfs/dbraw/zinc/27/47/48/262274748.db2.gz CGOHPHZJSPPRBD-JKSUJKDBSA-N 1 3 320.437 0.388 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418358938 262275272 /nfs/dbraw/zinc/27/52/72/262275272.db2.gz IWVPJNPIBKBNSC-AWEZNQCLSA-N 1 3 300.447 0.507 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCC(C)(C)[NH3+] ZINC000418416141 262277091 /nfs/dbraw/zinc/27/70/91/262277091.db2.gz POGBHZQAYOLSPX-UHFFFAOYSA-N 1 3 313.490 0.783 20 0 DCADHO COC[C@@]1(CNC(=O)N(CCN(C)C)C(C)C)CCC[NH2+]1 ZINC000418652790 262285471 /nfs/dbraw/zinc/28/54/71/262285471.db2.gz JPZUCUANSDRFPO-HNNXBMFYSA-N 1 3 300.447 0.737 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000418915959 262297683 /nfs/dbraw/zinc/29/76/83/262297683.db2.gz QRZITZSLGBYTSU-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419019930 262305335 /nfs/dbraw/zinc/30/53/35/262305335.db2.gz FGSSDSCLSSHXHU-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419017508 262305523 /nfs/dbraw/zinc/30/55/23/262305523.db2.gz AYAQKVSJSXWPGJ-APIJFGDWSA-N 1 3 324.469 0.480 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419018038 262305627 /nfs/dbraw/zinc/30/56/27/262305627.db2.gz BIZKTWZYKCZEFC-MJBXVCDLSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419072238 262306212 /nfs/dbraw/zinc/30/62/12/262306212.db2.gz BDDMTJMBWNDULK-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419078537 262307359 /nfs/dbraw/zinc/30/73/59/262307359.db2.gz LDVKXWDRFNZYBS-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419080064 262307444 /nfs/dbraw/zinc/30/74/44/262307444.db2.gz OIVCLGXZLGRDJD-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419083284 262307928 /nfs/dbraw/zinc/30/79/28/262307928.db2.gz WCWKDJPQQOMHPH-QLFBSQMISA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419081786 262307948 /nfs/dbraw/zinc/30/79/48/262307948.db2.gz SDUZHWYROCIDJF-QLFBSQMISA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419122065 262310540 /nfs/dbraw/zinc/31/05/40/262310540.db2.gz MUDKTVRFBUXPPD-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419122074 262310622 /nfs/dbraw/zinc/31/06/22/262310622.db2.gz MVSRNAUTJCEBGE-KFWWJZLASA-N 1 3 322.453 0.045 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)C1 ZINC000419123474 262310818 /nfs/dbraw/zinc/31/08/18/262310818.db2.gz PPVNRGJPYQATKC-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419175429 262317037 /nfs/dbraw/zinc/31/70/37/262317037.db2.gz XNFPYYXPQSVIFN-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO CCCN(C(=O)C(=O)NCC1(N(C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000419232709 262322161 /nfs/dbraw/zinc/32/21/61/262322161.db2.gz FXCUWYXRCIFEBS-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419409679 262331200 /nfs/dbraw/zinc/33/12/00/262331200.db2.gz NNYAPBBFHNFJKZ-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419419302 262332573 /nfs/dbraw/zinc/33/25/73/262332573.db2.gz JBPBPBNKTAFJKP-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419422779 262332675 /nfs/dbraw/zinc/33/26/75/262332675.db2.gz MPHHDCXPHOGKLA-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H](C)CN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000419424888 262332952 /nfs/dbraw/zinc/33/29/52/262332952.db2.gz PAAGYUQCHHFATJ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419587750 262339216 /nfs/dbraw/zinc/33/92/16/262339216.db2.gz NTAZAISRUCSORZ-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419695053 262346230 /nfs/dbraw/zinc/34/62/30/262346230.db2.gz LWOLCYFAYNMHGJ-ZFWWWQNUSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419840388 262348714 /nfs/dbraw/zinc/34/87/14/262348714.db2.gz ZJJKAGACRHAUIY-RDBSUJKOSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419840388 262348715 /nfs/dbraw/zinc/34/87/15/262348715.db2.gz ZJJKAGACRHAUIY-RDBSUJKOSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CC1(N(C)C)CCC1)[C@H]1CCC[NH2+]C1 ZINC000419873643 262350610 /nfs/dbraw/zinc/35/06/10/262350610.db2.gz DIOYEKQHMIVWSG-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)C1CC1 ZINC000419879705 262351471 /nfs/dbraw/zinc/35/14/71/262351471.db2.gz ZSNCPWSISIAHPK-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000419978078 262355078 /nfs/dbraw/zinc/35/50/78/262355078.db2.gz NQRBXMMKCSZQJN-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000419979266 262355206 /nfs/dbraw/zinc/35/52/06/262355206.db2.gz PEDVEJFFHZHPAY-KGLIPLIRSA-N 1 3 312.458 0.417 20 0 DCADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419980497 262355318 /nfs/dbraw/zinc/35/53/18/262355318.db2.gz QZQKOJQTEZXZOK-QLFBSQMISA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420074656 262359605 /nfs/dbraw/zinc/35/96/05/262359605.db2.gz IFRQFPQUGWDEOJ-UHFFFAOYSA-N 1 3 314.474 0.666 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420073997 262359641 /nfs/dbraw/zinc/35/96/41/262359641.db2.gz PTHZBQNQLHVNJM-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420073997 262359642 /nfs/dbraw/zinc/35/96/42/262359642.db2.gz PTHZBQNQLHVNJM-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCC1 ZINC000420096548 262360525 /nfs/dbraw/zinc/36/05/25/262360525.db2.gz ISDHNEYEAZARBG-INIZCTEOSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCNCC1 ZINC000420369870 262371845 /nfs/dbraw/zinc/37/18/45/262371845.db2.gz JDFDFJIDFDJFLC-WBVHZDCISA-N 1 3 320.481 0.757 20 0 DCADHO O=C(CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCNCC1 ZINC000420369870 262371847 /nfs/dbraw/zinc/37/18/47/262371847.db2.gz JDFDFJIDFDJFLC-WBVHZDCISA-N 1 3 320.481 0.757 20 0 DCADHO CN(C)CCOCCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422183169 262399884 /nfs/dbraw/zinc/39/98/84/262399884.db2.gz OELMUNGMNRJBHE-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO CCOC(=O)C1([C@@H](C)NCC(=O)NCC2CC2)CC[NH2+]CC1 ZINC000423051016 262427905 /nfs/dbraw/zinc/42/79/05/262427905.db2.gz ZLRPMRGITZWGGV-GFCCVEGCSA-N 1 3 311.426 0.424 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000423246694 262434373 /nfs/dbraw/zinc/43/43/73/262434373.db2.gz ZUNFDZPVRJKWSW-MJBXVCDLSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423722027 262456540 /nfs/dbraw/zinc/45/65/40/262456540.db2.gz PCHHMMSWIMMQHO-CYBMUJFWSA-N 1 3 324.425 0.366 20 0 DCADHO Cc1nc(NCCN(C)C2CC2)nc(NCC[N@H+](C)C2CC2)n1 ZINC000359597728 271129101 /nfs/dbraw/zinc/12/91/01/271129101.db2.gz ZWXIWTWBKGYDSY-UHFFFAOYSA-N 1 3 319.457 0.036 20 0 DCADHO Cc1nc(NCCN(C)C2CC2)nc(NCC[N@@H+](C)C2CC2)n1 ZINC000359597728 271129106 /nfs/dbraw/zinc/12/91/06/271129106.db2.gz ZWXIWTWBKGYDSY-UHFFFAOYSA-N 1 3 319.457 0.036 20 0 DCADHO CSC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000363765540 271204693 /nfs/dbraw/zinc/20/46/93/271204693.db2.gz FBTUWGDOEXHCEQ-ZFWWWQNUSA-N 1 3 301.500 0.811 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418824986 271257027 /nfs/dbraw/zinc/25/70/27/271257027.db2.gz BAOGJWFPGIPXSF-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000418876121 271260586 /nfs/dbraw/zinc/26/05/86/271260586.db2.gz YIEPEJWJKBQWRE-CQSZACIVSA-N 1 3 310.442 0.078 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000418952214 271262663 /nfs/dbraw/zinc/26/26/63/271262663.db2.gz VJLNPAYEBDNCEG-MELADBBJSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419024876 271265837 /nfs/dbraw/zinc/26/58/37/271265837.db2.gz LEXVCAMTROHHPD-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419043693 271269383 /nfs/dbraw/zinc/26/93/83/271269383.db2.gz KCORLHOAJVIQAZ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419402288 271288309 /nfs/dbraw/zinc/28/83/09/271288309.db2.gz CDIZKGMPFGULMP-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419529962 271297782 /nfs/dbraw/zinc/29/77/82/271297782.db2.gz YIQDQGMWTHJVNV-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419523609 271298822 /nfs/dbraw/zinc/29/88/22/271298822.db2.gz OSQNQSSGHWNTRH-XJKSGUPXSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419583217 271310732 /nfs/dbraw/zinc/31/07/32/271310732.db2.gz JVSIYWSEENXFDS-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419580384 271311546 /nfs/dbraw/zinc/31/15/46/271311546.db2.gz HAMDKBBWUXLEAT-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000419867045 271337533 /nfs/dbraw/zinc/33/75/33/271337533.db2.gz CDKMQICASPXSAK-UHFFFAOYSA-N 1 3 324.400 0.052 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419902409 271341315 /nfs/dbraw/zinc/34/13/15/271341315.db2.gz UKPGTWNSSRLGIA-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419905104 271343538 /nfs/dbraw/zinc/34/35/38/271343538.db2.gz UTYXKZPJRJRTAW-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419955943 271349586 /nfs/dbraw/zinc/34/95/86/271349586.db2.gz NUHGACBHAKLWIT-CYBMUJFWSA-N 1 3 300.447 0.275 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422717499 271381132 /nfs/dbraw/zinc/38/11/32/271381132.db2.gz ORIAYDLRHREQHE-BPQIPLTHSA-N 1 3 324.513 0.617 20 0 DCADHO CC(=O)N1CCN(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422866866 271391294 /nfs/dbraw/zinc/39/12/94/271391294.db2.gz RARNYQTYSXHLDZ-CRAIPNDOSA-N 1 3 318.465 0.699 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000471657508 272029152 /nfs/dbraw/zinc/02/91/52/272029152.db2.gz YFNSIGLXHKEIIQ-HNNXBMFYSA-N 1 3 312.458 0.692 20 0 DCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000364852168 287716352 /nfs/dbraw/zinc/71/63/52/287716352.db2.gz SNEIXVYILBQQPC-JYJNAYRXSA-N 1 3 310.486 0.987 20 0 DCADHO C[C@@H](OC[C@H]1CCCO1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530644726 287752789 /nfs/dbraw/zinc/75/27/89/287752789.db2.gz HTIIAORWJHOTMZ-HUUCEWRRSA-N 1 3 315.458 0.522 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000546591588 288019847 /nfs/dbraw/zinc/01/98/47/288019847.db2.gz BJEKTUWZHRRSQO-IJEWVQPXSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000546591588 288019848 /nfs/dbraw/zinc/01/98/48/288019848.db2.gz BJEKTUWZHRRSQO-IJEWVQPXSA-N 1 3 312.458 0.473 20 0 DCADHO CC[N@H+](C)CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433334013 279029844 /nfs/dbraw/zinc/02/98/44/279029844.db2.gz JLLRYZYNVQXYKD-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@@H+](C)CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433334013 279029845 /nfs/dbraw/zinc/02/98/45/279029845.db2.gz JLLRYZYNVQXYKD-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000347759190 279038641 /nfs/dbraw/zinc/03/86/41/279038641.db2.gz VDKSJQCFLAVCHZ-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000347759190 279038644 /nfs/dbraw/zinc/03/86/44/279038644.db2.gz VDKSJQCFLAVCHZ-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000331716280 279258787 /nfs/dbraw/zinc/25/87/87/279258787.db2.gz OIRBAEQNLCVYAT-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000331716280 279258789 /nfs/dbraw/zinc/25/87/89/279258789.db2.gz OIRBAEQNLCVYAT-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494674809 279358086 /nfs/dbraw/zinc/35/80/86/279358086.db2.gz RCGOYKIRWWUWGH-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H]1C[C@H](NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000164199121 280010146 /nfs/dbraw/zinc/01/01/46/280010146.db2.gz CRLVDIRZVWNGJB-JKSUJKDBSA-N 1 3 318.469 0.671 20 0 DCADHO C[C@H]1C[C@H](NCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000164199121 280010149 /nfs/dbraw/zinc/01/01/49/280010149.db2.gz CRLVDIRZVWNGJB-JKSUJKDBSA-N 1 3 318.469 0.671 20 0 DCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)N2CC(C)C2)CC1 ZINC000553187947 288290029 /nfs/dbraw/zinc/29/00/29/288290029.db2.gz WHMGXBRMVQYXRA-GOEBONIOSA-N 1 3 310.486 0.716 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000333894849 294610668 /nfs/dbraw/zinc/61/06/68/294610668.db2.gz YWEKQVKYQBUHTI-FXUDXRNXSA-N 1 3 324.469 0.879 20 0 DCADHO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)C[C@@H]21 ZINC000342121690 295316492 /nfs/dbraw/zinc/31/64/92/295316492.db2.gz IUGYXQLJSCCPQL-RRQGHBQHSA-N 1 3 320.481 0.789 20 0 DCADHO [NH3+][C@H]1CCCCC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422696192 295332893 /nfs/dbraw/zinc/33/28/93/295332893.db2.gz QYHDVPOBBPJDAF-JKSUJKDBSA-N 1 3 318.469 0.848 20 0 DCADHO C[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000261964505 298076688 /nfs/dbraw/zinc/07/66/88/298076688.db2.gz AOQGMPCHABHJGF-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CCOC[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000570509349 332766165 /nfs/dbraw/zinc/76/61/65/332766165.db2.gz ZNYRTBLFXPAKDK-QGZVFWFLSA-N 1 3 322.453 0.581 20 0 DCADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000582486508 337097551 /nfs/dbraw/zinc/09/75/51/337097551.db2.gz NUSJKSQTNUQITM-ZIAGYGMSSA-N 1 3 306.410 0.184 20 0 DCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CNC2)C1 ZINC000582596141 337111326 /nfs/dbraw/zinc/11/13/26/337111326.db2.gz FFNMVXLAYGRIJU-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CNC2)C1 ZINC000582596141 337111327 /nfs/dbraw/zinc/11/13/27/337111327.db2.gz FFNMVXLAYGRIJU-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000582758681 337135525 /nfs/dbraw/zinc/13/55/25/337135525.db2.gz DIAKISDONAVCCX-HOCLYGCPSA-N 1 3 312.458 0.330 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000582758681 337135526 /nfs/dbraw/zinc/13/55/26/337135526.db2.gz DIAKISDONAVCCX-HOCLYGCPSA-N 1 3 312.458 0.330 20 0 DCADHO CS(=O)(=O)N1CC(CN2C[C@H]3CCCC[C@@]3(C[NH3+])C2)C1 ZINC001579342181 1159271125 /nfs/dbraw/zinc/27/11/25/1159271125.db2.gz IZZKXTDCUSEMMT-ZIAGYGMSSA-N 1 3 301.456 0.329 20 0 DCADHO CO[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)[C@H](C[NH3+])C1 ZINC000577953439 341957580 /nfs/dbraw/zinc/95/75/80/341957580.db2.gz UDQXNQXFZFXABR-LZWOXQAQSA-N 1 3 303.406 0.838 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H]1CCCNC1=O ZINC001566543512 1160046680 /nfs/dbraw/zinc/04/66/80/1160046680.db2.gz RALZPGCFSSUREX-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H]1CCCNC1=O ZINC001566543512 1160046692 /nfs/dbraw/zinc/04/66/92/1160046692.db2.gz RALZPGCFSSUREX-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000237886907 545958118 /nfs/dbraw/zinc/95/81/18/545958118.db2.gz USMVEIGDLVMYSN-KGLIPLIRSA-N 1 3 322.453 0.365 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342083965 546117771 /nfs/dbraw/zinc/11/77/71/546117771.db2.gz IOCXKHLWZHSLJR-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342083965 546117776 /nfs/dbraw/zinc/11/77/76/546117776.db2.gz IOCXKHLWZHSLJR-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637474428 546332511 /nfs/dbraw/zinc/33/25/11/546332511.db2.gz HISDYZOAJJLHON-GDBMZVCRSA-N 1 3 312.458 0.615 20 0 DCADHO COC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCCCN1 ZINC000638069102 546336895 /nfs/dbraw/zinc/33/68/95/546336895.db2.gz MKIWYWVSYAAAKI-GJZGRUSLSA-N 1 3 315.483 0.699 20 0 DCADHO O=C([C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)N1CCCC1 ZINC000662255777 546372908 /nfs/dbraw/zinc/37/29/08/546372908.db2.gz RKYJOHJSMVYKTB-CABCVRRESA-N 1 3 307.438 0.842 20 0 DCADHO O=C([C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)N1CCCC1 ZINC000662255777 546372911 /nfs/dbraw/zinc/37/29/11/546372911.db2.gz RKYJOHJSMVYKTB-CABCVRRESA-N 1 3 307.438 0.842 20 0 DCADHO COCCC1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763429 546398005 /nfs/dbraw/zinc/39/80/05/546398005.db2.gz AJLXLIWWAYPTPD-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO COCCC1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763429 546398008 /nfs/dbraw/zinc/39/80/08/546398008.db2.gz AJLXLIWWAYPTPD-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1O ZINC000666660729 546494870 /nfs/dbraw/zinc/49/48/70/546494870.db2.gz STHJIQGDTGINIX-KBMXLJTQSA-N 1 3 324.469 0.710 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1O ZINC000666660729 546494872 /nfs/dbraw/zinc/49/48/72/546494872.db2.gz STHJIQGDTGINIX-KBMXLJTQSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000666757646 546504617 /nfs/dbraw/zinc/50/46/17/546504617.db2.gz XKMBRFYOTXQLCI-GOEBONIOSA-N 1 3 312.458 0.473 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000668581743 546790588 /nfs/dbraw/zinc/79/05/88/546790588.db2.gz KKAZOECHJUUOJP-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CCN(CC)C1 ZINC000668656874 546812312 /nfs/dbraw/zinc/81/23/12/546812312.db2.gz FTMNFRUKZZIASX-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CCN(CC)C1 ZINC000668656874 546812316 /nfs/dbraw/zinc/81/23/16/546812316.db2.gz FTMNFRUKZZIASX-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000669407326 546968178 /nfs/dbraw/zinc/96/81/78/546968178.db2.gz MOYLSNSJFWZSLZ-QPSCCSFWSA-N 1 3 312.458 0.864 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669473214 546974659 /nfs/dbraw/zinc/97/46/59/546974659.db2.gz PVYGLOQVYWSFMK-KFWWJZLASA-N 1 3 310.442 0.491 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000669491253 546978710 /nfs/dbraw/zinc/97/87/10/546978710.db2.gz RVLNJBLMCFRHMU-JKSUJKDBSA-N 1 3 321.469 0.160 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000669498288 546980041 /nfs/dbraw/zinc/98/00/41/546980041.db2.gz ARMMMJOXVVFPJH-INIZCTEOSA-N 1 3 312.458 0.740 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCSC1 ZINC000669514782 546982332 /nfs/dbraw/zinc/98/23/32/546982332.db2.gz HTOWCPPGKMWALQ-YDHLFZDLSA-N 1 3 312.483 0.817 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)C1CC[NH+](C)CC1 ZINC000672007639 547311638 /nfs/dbraw/zinc/31/16/38/547311638.db2.gz CYZOAPCYHYJZTK-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C1CC1 ZINC000672100914 547319280 /nfs/dbraw/zinc/31/92/80/547319280.db2.gz SPWZCGZFSSQYRX-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000672207900 547329662 /nfs/dbraw/zinc/32/96/62/547329662.db2.gz XJGYAPIWJOGJNF-ZIAGYGMSSA-N 1 3 324.469 0.574 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000675918654 547720391 /nfs/dbraw/zinc/72/03/91/547720391.db2.gz PUXYBIDBZSTJQN-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000675918654 547720392 /nfs/dbraw/zinc/72/03/92/547720392.db2.gz PUXYBIDBZSTJQN-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccn(C)c(=O)c1 ZINC000678719648 548001241 /nfs/dbraw/zinc/00/12/41/548001241.db2.gz KGJPUGBDLYFLQH-UHFFFAOYSA-N 1 3 306.454 0.843 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccn(C)c(=O)c1 ZINC000678719648 548001243 /nfs/dbraw/zinc/00/12/43/548001243.db2.gz KGJPUGBDLYFLQH-UHFFFAOYSA-N 1 3 306.454 0.843 20 0 DCADHO C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594669 660497625 /nfs/dbraw/zinc/49/76/25/660497625.db2.gz LLZFPATYCAPCDB-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594669 660497627 /nfs/dbraw/zinc/49/76/27/660497627.db2.gz LLZFPATYCAPCDB-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978794751 660603850 /nfs/dbraw/zinc/60/38/50/660603850.db2.gz FGHQZIRMEMHBHB-NXOAAHMSSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000978794751 660603851 /nfs/dbraw/zinc/60/38/51/660603851.db2.gz FGHQZIRMEMHBHB-NXOAAHMSSA-N 1 3 323.481 0.926 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CCN2CC2CC2)cn1 ZINC001038810753 660882603 /nfs/dbraw/zinc/88/26/03/660882603.db2.gz RIXIHGIFOQLIFX-OAHLLOKOSA-N 1 3 305.426 0.659 20 0 DCADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037203 661093545 /nfs/dbraw/zinc/09/35/45/661093545.db2.gz RBAYEHVOQGCCHK-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@H]1CCC[N@H+]1CC1CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037203 661093548 /nfs/dbraw/zinc/09/35/48/661093548.db2.gz RBAYEHVOQGCCHK-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CCCN1CCO ZINC001028048482 661101111 /nfs/dbraw/zinc/10/11/11/661101111.db2.gz GCGARZHZYABJTR-MRXNPFEDSA-N 1 3 319.449 0.977 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036378 661091545 /nfs/dbraw/zinc/09/15/45/661091545.db2.gz BWLRWXHPQPXGEJ-GYMHETDLSA-N 1 3 323.437 0.077 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036378 661091547 /nfs/dbraw/zinc/09/15/47/661091547.db2.gz BWLRWXHPQPXGEJ-GYMHETDLSA-N 1 3 323.437 0.077 20 0 DCADHO CO[C@]1(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCS(=O)(=O)C1 ZINC000925825186 661242848 /nfs/dbraw/zinc/24/28/48/661242848.db2.gz BYJSIWYKDFPWGQ-OBJOEFQTSA-N 1 3 304.456 0.686 20 0 DCADHO O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000982062752 661285401 /nfs/dbraw/zinc/28/54/01/661285401.db2.gz DEQUTPBIJUBUSI-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000982062752 661285403 /nfs/dbraw/zinc/28/54/03/661285403.db2.gz DEQUTPBIJUBUSI-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998548423 665478229 /nfs/dbraw/zinc/47/82/29/665478229.db2.gz IAUYOQHSPNLBGK-PIMMBPRGSA-N 1 3 305.426 0.593 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001023126438 657538173 /nfs/dbraw/zinc/53/81/73/657538173.db2.gz WFYPVJJZISCGGS-BNOWGMLFSA-N 1 3 318.421 0.472 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000891635733 657569244 /nfs/dbraw/zinc/56/92/44/657569244.db2.gz UHNNKFOZTUKSFL-OKILXGFUSA-N 1 3 312.458 0.912 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001020455930 657688135 /nfs/dbraw/zinc/68/81/35/657688135.db2.gz PGZBFORUWDVDBG-LJISPDSOSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001020455930 657688143 /nfs/dbraw/zinc/68/81/43/657688143.db2.gz PGZBFORUWDVDBG-LJISPDSOSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001010727466 657747587 /nfs/dbraw/zinc/74/75/87/657747587.db2.gz MUPWACPWFCLCIA-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001010727466 657747595 /nfs/dbraw/zinc/74/75/95/657747595.db2.gz MUPWACPWFCLCIA-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000891970020 658021481 /nfs/dbraw/zinc/02/14/81/658021481.db2.gz BJFUOLMUQHLRGK-OAHLLOKOSA-N 1 3 323.485 0.550 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926331997 658096461 /nfs/dbraw/zinc/09/64/61/658096461.db2.gz DJZTYRSIDNGABT-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1CCC[C@@](CN2C(=O)N[C@H](CN(C)C)C2=O)([NH+](C)C)C1 ZINC000924507969 658138034 /nfs/dbraw/zinc/13/80/34/658138034.db2.gz AMRAHAMRXBEQOM-XJKCOSOUSA-N 1 3 310.442 0.979 20 0 DCADHO C[C@@H]1CCC[C@](CN2C(=O)N[C@@H](CN(C)C)C2=O)([NH+](C)C)C1 ZINC000924507966 658138546 /nfs/dbraw/zinc/13/85/46/658138546.db2.gz AMRAHAMRXBEQOM-WWGRRREGSA-N 1 3 310.442 0.979 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020587624 658157967 /nfs/dbraw/zinc/15/79/67/658157967.db2.gz NTUOBPSSCGYTKU-WFGGJUAMSA-N 1 3 315.433 0.817 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001020588888 658159302 /nfs/dbraw/zinc/15/93/02/658159302.db2.gz PMBORJGIJQDPIL-KKUMJFAQSA-N 1 3 305.426 0.462 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001020586539 658162667 /nfs/dbraw/zinc/16/26/67/658162667.db2.gz QEUDQCQVJXFCSX-BPLDGKMQSA-N 1 3 305.426 0.641 20 0 DCADHO CN1CCC[C@@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969814192 658170185 /nfs/dbraw/zinc/17/01/85/658170185.db2.gz LDTAZSNNGJVPBB-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)ncn1 ZINC001020592778 658178069 /nfs/dbraw/zinc/17/80/69/658178069.db2.gz OGUXLBFOGFTCAW-XKVFNRALSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)ncn1 ZINC001020592778 658178073 /nfs/dbraw/zinc/17/80/73/658178073.db2.gz OGUXLBFOGFTCAW-XKVFNRALSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646508 658219998 /nfs/dbraw/zinc/21/99/98/658219998.db2.gz MXNBYEZYUTUYGA-BETUJISGSA-N 1 3 323.466 0.925 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001022714550 658365356 /nfs/dbraw/zinc/36/53/56/658365356.db2.gz WTDHCXARIJEQLB-APIJFGDWSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022721434 658391307 /nfs/dbraw/zinc/39/13/07/658391307.db2.gz XCEVYCCQWJTJJO-RABLLNBGSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022721434 658391317 /nfs/dbraw/zinc/39/13/17/658391317.db2.gz XCEVYCCQWJTJJO-RABLLNBGSA-N 1 3 306.410 0.918 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)CCOCC1 ZINC000892279277 658576453 /nfs/dbraw/zinc/57/64/53/658576453.db2.gz UQCWKAZHPZFNMR-HNNXBMFYSA-N 1 3 318.421 0.508 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCn3cccn3)C2)C1 ZINC000972335675 658582566 /nfs/dbraw/zinc/58/25/66/658582566.db2.gz RSDVGMSHTWDQHD-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCn3cccn3)C2)C1 ZINC000972335675 658582571 /nfs/dbraw/zinc/58/25/71/658582571.db2.gz RSDVGMSHTWDQHD-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438607 658623662 /nfs/dbraw/zinc/62/36/62/658623662.db2.gz SAPHEWQVTKLWRB-HZPDHXFCSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@@H](O)CN1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530012 658688561 /nfs/dbraw/zinc/68/85/61/658688561.db2.gz BLSWOJUEIIGGAL-HUUCEWRRSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001021090990 658751585 /nfs/dbraw/zinc/75/15/85/658751585.db2.gz QAWZDUQMMSFKQZ-AAVRWANBSA-N 1 3 320.441 0.425 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC000971561711 658803325 /nfs/dbraw/zinc/80/33/25/658803325.db2.gz BBUWNOUIDYUGMH-QLFBSQMISA-N 1 3 320.441 0.151 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC000971561711 658803338 /nfs/dbraw/zinc/80/33/38/658803338.db2.gz BBUWNOUIDYUGMH-QLFBSQMISA-N 1 3 320.441 0.151 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891513537 658898698 /nfs/dbraw/zinc/89/86/98/658898698.db2.gz DNKSPZUSTFHASG-APIJFGDWSA-N 1 3 308.426 0.386 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC000999356471 665631171 /nfs/dbraw/zinc/63/11/71/665631171.db2.gz ZQAKQLKOBINUAZ-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC000999350567 665634073 /nfs/dbraw/zinc/63/40/73/665634073.db2.gz YKHFKCYEEUZONR-HNNXBMFYSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1)C1CC1 ZINC000999372201 665638666 /nfs/dbraw/zinc/63/86/66/665638666.db2.gz OMZVIWJGYYHJFX-HOTGVXAUSA-N 1 3 319.453 0.804 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027216873 659088527 /nfs/dbraw/zinc/08/85/27/659088527.db2.gz YOSPZNCXFNJVRJ-KGLIPLIRSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027216873 659088533 /nfs/dbraw/zinc/08/85/33/659088533.db2.gz YOSPZNCXFNJVRJ-KGLIPLIRSA-N 1 3 305.426 0.310 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3C)C2)C1 ZINC000973966150 659094682 /nfs/dbraw/zinc/09/46/82/659094682.db2.gz RAABXSWZSOFPMW-KBXIAJHMSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3C)C2)C1 ZINC000973966150 659094684 /nfs/dbraw/zinc/09/46/84/659094684.db2.gz RAABXSWZSOFPMW-KBXIAJHMSA-N 1 3 322.453 0.186 20 0 DCADHO CCCC[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031856861 665660166 /nfs/dbraw/zinc/66/01/66/665660166.db2.gz KNUYSHFVXNNNMD-GNHJJJEISA-N 1 3 307.438 0.698 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000999597460 665662910 /nfs/dbraw/zinc/66/29/10/665662910.db2.gz PIRDLOLESCKQCQ-QWHCGFSZSA-N 1 3 308.426 0.069 20 0 DCADHO c1ccc2c(c1)OC[C@H](CN1CC[C@@H](N3CC[NH2+]CC3)C1)O2 ZINC000319243737 659382676 /nfs/dbraw/zinc/38/26/76/659382676.db2.gz WTKDITALLGGRIT-CABCVRRESA-N 1 3 303.406 0.806 20 0 DCADHO [NH3+][C@H]1C[C@H](NCC2(N3CCOCC3)CCOCC2)C12CCC2 ZINC000925689116 659480713 /nfs/dbraw/zinc/48/07/13/659480713.db2.gz AZHXRVZHKWNWFS-GJZGRUSLSA-N 1 3 309.454 0.727 20 0 DCADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734486 659491866 /nfs/dbraw/zinc/49/18/66/659491866.db2.gz ODOGYVFQVJZJJB-HIFRSBDPSA-N 1 3 320.441 0.330 20 0 DCADHO CCC1([NH3+])CCN(C(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000892932366 659514391 /nfs/dbraw/zinc/51/43/91/659514391.db2.gz NXMBHPADFSHXJR-AWEZNQCLSA-N 1 3 312.458 0.746 20 0 DCADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798704 659564921 /nfs/dbraw/zinc/56/49/21/659564921.db2.gz JATRJVPTFQWZAY-NRKLIOEPSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798704 659564926 /nfs/dbraw/zinc/56/49/26/659564926.db2.gz JATRJVPTFQWZAY-NRKLIOEPSA-N 1 3 321.465 0.942 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799131 659565230 /nfs/dbraw/zinc/56/52/30/659565230.db2.gz YXDYMMQPRPUQRW-AALSBFMBSA-N 1 3 305.422 0.306 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799131 659565232 /nfs/dbraw/zinc/56/52/32/659565232.db2.gz YXDYMMQPRPUQRW-AALSBFMBSA-N 1 3 305.422 0.306 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001019820675 659619724 /nfs/dbraw/zinc/61/97/24/659619724.db2.gz UBDAUIRKAPEMBI-HIFRSBDPSA-N 1 3 305.422 0.933 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001026884660 659623652 /nfs/dbraw/zinc/62/36/52/659623652.db2.gz BBABQMWERYROKF-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001027042707 659728517 /nfs/dbraw/zinc/72/85/17/659728517.db2.gz LVYVFFZHCKYGPR-GOEBONIOSA-N 1 3 321.469 0.944 20 0 DCADHO COC[C@@H](C)N1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977497879 659739927 /nfs/dbraw/zinc/73/99/27/659739927.db2.gz LNGQCMAHRIXNPR-KGLIPLIRSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001027063418 659759484 /nfs/dbraw/zinc/75/94/84/659759484.db2.gz KXYOEZIWVBVJFL-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3ccn(C)n3)C2)C1 ZINC001027064370 659761830 /nfs/dbraw/zinc/76/18/30/659761830.db2.gz CLEYSANKGXZLQF-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3ccn(C)n3)C2)C1 ZINC001027064370 659761838 /nfs/dbraw/zinc/76/18/38/659761838.db2.gz CLEYSANKGXZLQF-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3cn(C)nn3)C2)C1 ZINC001027064693 659761889 /nfs/dbraw/zinc/76/18/89/659761889.db2.gz JCIWRWBXDCQZTM-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3cn(C)nn3)C2)C1 ZINC001027064693 659761895 /nfs/dbraw/zinc/76/18/95/659761895.db2.gz JCIWRWBXDCQZTM-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001027066587 659764907 /nfs/dbraw/zinc/76/49/07/659764907.db2.gz UPNNDTMLIJREMT-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC001027091040 659797548 /nfs/dbraw/zinc/79/75/48/659797548.db2.gz CFZQCBUCBXIRCC-UKRRQHHQSA-N 1 3 306.410 0.959 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091523 659798237 /nfs/dbraw/zinc/79/82/37/659798237.db2.gz OMYIKCBAFOCYBF-ZDUSSCGKSA-N 1 3 316.409 0.632 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1)N(C)C ZINC000982300923 661345885 /nfs/dbraw/zinc/34/58/85/661345885.db2.gz CKZKAJUTJWNLHA-BHYGNILZSA-N 1 3 311.470 0.735 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1)N(C)C ZINC000982300923 661345887 /nfs/dbraw/zinc/34/58/87/661345887.db2.gz CKZKAJUTJWNLHA-BHYGNILZSA-N 1 3 311.470 0.735 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001000182309 665765755 /nfs/dbraw/zinc/76/57/55/665765755.db2.gz DLNYNXWWDYNZOS-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001000219691 665787253 /nfs/dbraw/zinc/78/72/53/665787253.db2.gz ARMMNOOQYDYXSJ-GJZGRUSLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3ccn(C)n3)C2)CC[N@@H+]1C ZINC000983703950 662010463 /nfs/dbraw/zinc/01/04/63/662010463.db2.gz GAGZHXACDYKAMR-RRCSTGOVSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3ccn(C)n3)C2)CC[N@H+]1C ZINC000983703950 662010465 /nfs/dbraw/zinc/01/04/65/662010465.db2.gz GAGZHXACDYKAMR-RRCSTGOVSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029149981 662022017 /nfs/dbraw/zinc/02/20/17/662022017.db2.gz GQKIQCDYAXYSRK-BXUZGUMPSA-N 1 3 319.409 0.057 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnn2CCN(C)C)C1 ZINC000909436614 662071252 /nfs/dbraw/zinc/07/12/52/662071252.db2.gz SCKHRFRRFZSPQR-CQSZACIVSA-N 1 3 307.442 0.999 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2CCN(C)C)C1 ZINC000909436614 662071254 /nfs/dbraw/zinc/07/12/54/662071254.db2.gz SCKHRFRRFZSPQR-CQSZACIVSA-N 1 3 307.442 0.999 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000390027 665833941 /nfs/dbraw/zinc/83/39/41/665833941.db2.gz PNXWGKKDIDSCMA-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CC[C@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000928562434 662129281 /nfs/dbraw/zinc/12/92/81/662129281.db2.gz FRXOLJRQCMEOHD-KRWDZBQOSA-N 1 3 316.449 0.868 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000895602751 662197680 /nfs/dbraw/zinc/19/76/80/662197680.db2.gz DHETWDDLGQLDLY-XUWVNRHRSA-N 1 3 324.469 0.567 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896749549 662310358 /nfs/dbraw/zinc/31/03/58/662310358.db2.gz RWDXUDUPGMORRI-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896749549 662310359 /nfs/dbraw/zinc/31/03/59/662310359.db2.gz RWDXUDUPGMORRI-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC000984802895 662317988 /nfs/dbraw/zinc/31/79/88/662317988.db2.gz FEECBHRLONYAMR-TUVASFSCSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)[C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000985441440 662448176 /nfs/dbraw/zinc/44/81/76/662448176.db2.gz INXGHKNZAIUBTB-BPLDGKMQSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)[C@@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000985441440 662448177 /nfs/dbraw/zinc/44/81/77/662448177.db2.gz INXGHKNZAIUBTB-BPLDGKMQSA-N 1 3 322.453 0.138 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000320735750 662499404 /nfs/dbraw/zinc/49/94/04/662499404.db2.gz OJQRLXWOAGJHEM-UONOGXRCSA-N 1 3 319.405 0.613 20 0 DCADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985789907 662513301 /nfs/dbraw/zinc/51/33/01/662513301.db2.gz GOIXISPLDSGWMB-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985789907 662513302 /nfs/dbraw/zinc/51/33/02/662513302.db2.gz GOIXISPLDSGWMB-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C[C@@H]1CCOC1 ZINC001029904446 662553951 /nfs/dbraw/zinc/55/39/51/662553951.db2.gz WLDLYXVQCVKPMP-HOTGVXAUSA-N 1 3 309.454 0.899 20 0 DCADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C[C@@H]1CCOC1 ZINC001029904446 662553953 /nfs/dbraw/zinc/55/39/53/662553953.db2.gz WLDLYXVQCVKPMP-HOTGVXAUSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351598 662585204 /nfs/dbraw/zinc/58/52/04/662585204.db2.gz DBDMLVGKVHFAEX-ZBFHGGJFSA-N 1 3 319.453 0.946 20 0 DCADHO CN(C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)CN1CCOCC1 ZINC000752088233 662585449 /nfs/dbraw/zinc/58/54/49/662585449.db2.gz XIOPTQQREIEHCR-MRXNPFEDSA-N 1 3 313.486 0.733 20 0 DCADHO C[N@H+](C[C@@H](O)CN1CCCC1)CC(C)(C)CN1CCOCC1 ZINC000752088233 662585450 /nfs/dbraw/zinc/58/54/50/662585450.db2.gz XIOPTQQREIEHCR-MRXNPFEDSA-N 1 3 313.486 0.733 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1CCCC1)CC(C)(C)CN1CCOCC1 ZINC000752088233 662585451 /nfs/dbraw/zinc/58/54/51/662585451.db2.gz XIOPTQQREIEHCR-MRXNPFEDSA-N 1 3 313.486 0.733 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC000987522077 662685714 /nfs/dbraw/zinc/68/57/14/662685714.db2.gz FDCSMBSZLOUSRX-HOCLYGCPSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC000988095015 662729026 /nfs/dbraw/zinc/72/90/26/662729026.db2.gz CDBMFLYMSNFPDR-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC000988095015 662729029 /nfs/dbraw/zinc/72/90/29/662729029.db2.gz CDBMFLYMSNFPDR-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000897509478 662797034 /nfs/dbraw/zinc/79/70/34/662797034.db2.gz ZUZLEUOPKZJVST-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000897509478 662797035 /nfs/dbraw/zinc/79/70/35/662797035.db2.gz ZUZLEUOPKZJVST-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000937979764 662847936 /nfs/dbraw/zinc/84/79/36/662847936.db2.gz WSOYJWJQWVAOKC-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000937979764 662847937 /nfs/dbraw/zinc/84/79/37/662847937.db2.gz WSOYJWJQWVAOKC-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCn2cccn2)CN1C(=O)CN(C)C1CCC1 ZINC000988956136 662873423 /nfs/dbraw/zinc/87/34/23/662873423.db2.gz OFQMGVCAECXMTB-LSDHHAIUSA-N 1 3 319.453 0.946 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988963484 662873827 /nfs/dbraw/zinc/87/38/27/662873827.db2.gz XANPNUHJBYGPNJ-HIFRSBDPSA-N 1 3 319.453 0.983 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001000691434 665910909 /nfs/dbraw/zinc/91/09/09/665910909.db2.gz YTOXKTXINXPXRQ-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000691434 665910912 /nfs/dbraw/zinc/91/09/12/665910912.db2.gz YTOXKTXINXPXRQ-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000729566777 662903389 /nfs/dbraw/zinc/90/33/89/662903389.db2.gz DJWBVYZUGDWTJW-PMPSAXMXSA-N 1 3 324.469 0.879 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000729566777 662903390 /nfs/dbraw/zinc/90/33/90/662903390.db2.gz DJWBVYZUGDWTJW-PMPSAXMXSA-N 1 3 324.469 0.879 20 0 DCADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729620096 662905662 /nfs/dbraw/zinc/90/56/62/662905662.db2.gz VCPXYAGDQGAWEP-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729620096 662905663 /nfs/dbraw/zinc/90/56/63/662905663.db2.gz VCPXYAGDQGAWEP-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO Cc1nc(CN[C@H]2C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000989389194 662908783 /nfs/dbraw/zinc/90/87/83/662908783.db2.gz JFXCYSZQJLDDRQ-FZMZJTMJSA-N 1 3 320.441 0.534 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000990243630 663022976 /nfs/dbraw/zinc/02/29/76/663022976.db2.gz HFABBIRTXQVRMZ-OAHLLOKOSA-N 1 3 305.426 0.558 20 0 DCADHO Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000990244161 663022991 /nfs/dbraw/zinc/02/29/91/663022991.db2.gz KMNVWLUMGQWSPF-OAHLLOKOSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000713718 665921008 /nfs/dbraw/zinc/92/10/08/665921008.db2.gz WQLQLMATFCPFTE-CQSZACIVSA-N 1 3 317.437 0.597 20 0 DCADHO C[N@H+](CCCNS(=O)(=O)N1CCNCC1)C1CCCCC1 ZINC000040862167 663051120 /nfs/dbraw/zinc/05/11/20/663051120.db2.gz RDXKYCXOKXMBGO-UHFFFAOYSA-N 1 3 318.487 0.381 20 0 DCADHO C[N@@H+](CCCNS(=O)(=O)N1CCNCC1)C1CCCCC1 ZINC000040862167 663051121 /nfs/dbraw/zinc/05/11/21/663051121.db2.gz RDXKYCXOKXMBGO-UHFFFAOYSA-N 1 3 318.487 0.381 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001030021649 663088825 /nfs/dbraw/zinc/08/88/25/663088825.db2.gz OKCAQAAJWUOVFG-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)c1ccnn1CCN(C)C)C[NH+]1CCCC1 ZINC000900273303 663232620 /nfs/dbraw/zinc/23/26/20/663232620.db2.gz XATFKSITNAZIOP-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1nccc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000900441869 663244565 /nfs/dbraw/zinc/24/45/65/663244565.db2.gz LVYQFGFRTRCUPC-UHFFFAOYSA-N 1 3 319.413 0.455 20 0 DCADHO CN(C)CCn1nccc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000900725974 663275803 /nfs/dbraw/zinc/27/58/03/663275803.db2.gz QFLVJWGXRRZMHC-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO CN(C)CCn1nccc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000900725974 663275804 /nfs/dbraw/zinc/27/58/04/663275804.db2.gz QFLVJWGXRRZMHC-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnn1CC[NH+](C)C ZINC000901026760 663304108 /nfs/dbraw/zinc/30/41/08/663304108.db2.gz PWYGWXBIRVBKIM-GXTWGEPZSA-N 1 3 305.426 0.657 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000914726 665949452 /nfs/dbraw/zinc/94/94/52/665949452.db2.gz AUOOMCQIBANQGG-GJZGRUSLSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000914726 665949455 /nfs/dbraw/zinc/94/94/55/665949455.db2.gz AUOOMCQIBANQGG-GJZGRUSLSA-N 1 3 305.426 0.452 20 0 DCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902521293 663417666 /nfs/dbraw/zinc/41/76/66/663417666.db2.gz QYHUMQVRYWQXAK-XBFCOCLRSA-N 1 3 306.410 0.705 20 0 DCADHO Cn1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1=O ZINC000903509159 663459166 /nfs/dbraw/zinc/45/91/66/663459166.db2.gz CHEKGKLQSYFROG-CALCHBBNSA-N 1 3 316.449 0.786 20 0 DCADHO Cn1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1=O ZINC000903509159 663459167 /nfs/dbraw/zinc/45/91/67/663459167.db2.gz CHEKGKLQSYFROG-CALCHBBNSA-N 1 3 316.449 0.786 20 0 DCADHO CN(C)C(=O)N(C)[C@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766091 663480809 /nfs/dbraw/zinc/48/08/09/663480809.db2.gz OFSRVBRJVXEDCL-LSDHHAIUSA-N 1 3 324.469 0.833 20 0 DCADHO CN1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCC1(C)C ZINC000903777140 663483767 /nfs/dbraw/zinc/48/37/67/663483767.db2.gz SIQHQAFSHAQCIU-LBPRGKRZSA-N 1 3 310.442 0.125 20 0 DCADHO CNC(=O)[C@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892391 663490391 /nfs/dbraw/zinc/49/03/91/663490391.db2.gz ILLWAWKCASUKHE-KBPBESRZSA-N 1 3 307.442 0.304 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN(C)[C@@H](C)CN2CCOCC2)cnn1C ZINC000903909633 663494636 /nfs/dbraw/zinc/49/46/36/663494636.db2.gz GWUAEQYVCQFUPI-GOEBONIOSA-N 1 3 323.485 0.498 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903984275 663499947 /nfs/dbraw/zinc/49/99/47/663499947.db2.gz RVSKQVUMGCIRMN-GRYCIOLGSA-N 1 3 322.375 0.395 20 0 DCADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)C2(O)CCCC2)CCCO1 ZINC000905229879 663539598 /nfs/dbraw/zinc/53/95/98/663539598.db2.gz CKKRTYVRJSWLEB-LSDHHAIUSA-N 1 3 300.443 0.743 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)C2(O)CCCC2)CCCO1 ZINC000905229879 663539599 /nfs/dbraw/zinc/53/95/99/663539599.db2.gz CKKRTYVRJSWLEB-LSDHHAIUSA-N 1 3 300.443 0.743 20 0 DCADHO COCCCN(C)CCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906649307 663626842 /nfs/dbraw/zinc/62/68/42/663626842.db2.gz CDXKUTGCODSAKW-UHFFFAOYSA-N 1 3 322.409 0.168 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN2CCN(CC)CC2)C1 ZINC000906673385 663629520 /nfs/dbraw/zinc/62/95/20/663629520.db2.gz SWNFPTJOFPNIDE-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN2CCN(CC)CC2)C1 ZINC000906673385 663629521 /nfs/dbraw/zinc/62/95/21/663629521.db2.gz SWNFPTJOFPNIDE-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911054216 663973044 /nfs/dbraw/zinc/97/30/44/663973044.db2.gz HFSZGQQCJNYYOG-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911055925 663973347 /nfs/dbraw/zinc/97/33/47/663973347.db2.gz RLGHGLWVMKBZDY-ILXRZTDVSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911056729 663973559 /nfs/dbraw/zinc/97/35/59/663973559.db2.gz ZTYXKWFALPKJHR-CPUCHLNUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000911161794 663995718 /nfs/dbraw/zinc/99/57/18/663995718.db2.gz MOWMVFOBPBWNDO-WMLDXEAASA-N 1 3 322.453 0.189 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911209059 664005543 /nfs/dbraw/zinc/00/55/43/664005543.db2.gz LPPVJYFBTZDDOC-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911325517 664028392 /nfs/dbraw/zinc/02/83/92/664028392.db2.gz TYRPDZYCIXILJM-QPSCCSFWSA-N 1 3 322.453 0.091 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000911357709 664035898 /nfs/dbraw/zinc/03/58/98/664035898.db2.gz IQXCTEGFTUKHRN-HDJSIYSDSA-N 1 3 324.469 0.468 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000911338143 664038019 /nfs/dbraw/zinc/03/80/19/664038019.db2.gz YLIMKGRXNVXOFP-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000911387591 664042617 /nfs/dbraw/zinc/04/26/17/664042617.db2.gz BHYKUTJRQZMYGA-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911528513 664068356 /nfs/dbraw/zinc/06/83/56/664068356.db2.gz PFWCBBUZDGOYAP-VXGBXAGGSA-N 1 3 310.442 0.090 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911527378 664075068 /nfs/dbraw/zinc/07/50/68/664075068.db2.gz DIQTXRASQHNMPV-RDBSUJKOSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911558379 664078786 /nfs/dbraw/zinc/07/87/86/664078786.db2.gz SAXUNDIISKXRDV-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564986 664082675 /nfs/dbraw/zinc/08/26/75/664082675.db2.gz XNXBDTAGCKIFJN-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2)[C@@H]1CC[NH2+]C1 ZINC000911786888 664109268 /nfs/dbraw/zinc/10/92/68/664109268.db2.gz GHKBBZFYLDHEIU-CHWSQXEVSA-N 1 3 302.378 0.333 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCCCN1C ZINC000912065419 664136886 /nfs/dbraw/zinc/13/68/86/664136886.db2.gz NSLRLRLVOPCAHW-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCCN1C ZINC000912065419 664136889 /nfs/dbraw/zinc/13/68/89/664136889.db2.gz NSLRLRLVOPCAHW-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958717 664638299 /nfs/dbraw/zinc/63/82/99/664638299.db2.gz WMDVGILKOPUKLA-YGEZIXBOSA-N 1 3 319.449 0.983 20 0 DCADHO CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958717 664638301 /nfs/dbraw/zinc/63/83/01/664638301.db2.gz WMDVGILKOPUKLA-YGEZIXBOSA-N 1 3 319.449 0.983 20 0 DCADHO CCN(CC)[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000111610846 664684932 /nfs/dbraw/zinc/68/49/32/664684932.db2.gz VTBMSYAZPIQTRZ-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040848436 665235611 /nfs/dbraw/zinc/23/56/11/665235611.db2.gz ILFIAGBOHBJWJI-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CN1CCN(CCCNC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920307859 665266606 /nfs/dbraw/zinc/26/66/06/665266606.db2.gz PATGHKIKFRWZEA-UHFFFAOYSA-N 1 3 313.515 0.182 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[N@@H+]1C ZINC000925334452 665288469 /nfs/dbraw/zinc/28/84/69/665288469.db2.gz KIHXTOLKHDQTCT-LZWOXQAQSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[N@H+]1C ZINC000925334452 665288470 /nfs/dbraw/zinc/28/84/70/665288470.db2.gz KIHXTOLKHDQTCT-LZWOXQAQSA-N 1 3 324.469 0.974 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000997857082 665355086 /nfs/dbraw/zinc/35/50/86/665355086.db2.gz VUDVKBXWONWHMM-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941436830 665998209 /nfs/dbraw/zinc/99/82/09/665998209.db2.gz HRGIWAZKCQCIKG-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1CCN(C2CN(CC3CC3)C2)CC1)C1CC1 ZINC000941437345 665998645 /nfs/dbraw/zinc/99/86/45/665998645.db2.gz YUYLUOUTKXYHSF-QGZVFWFLSA-N 1 3 320.481 0.565 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941668197 666040765 /nfs/dbraw/zinc/04/07/65/666040765.db2.gz GIRBIBKMGIMCBO-UHFFFAOYSA-N 1 3 320.481 0.711 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000921938500 666186996 /nfs/dbraw/zinc/18/69/96/666186996.db2.gz XRZUJQOVOHXODF-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423511376 666291742 /nfs/dbraw/zinc/29/17/42/666291742.db2.gz QDBHDNJGAUXVIO-INIZCTEOSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003629273 666336828 /nfs/dbraw/zinc/33/68/28/666336828.db2.gz YMTYFFNFIGYQKK-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO CN(CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1)C1CCC1 ZINC000946623938 666557054 /nfs/dbraw/zinc/55/70/54/666557054.db2.gz VDYUSKDMOIDDDC-GASCZTMLSA-N 1 3 309.454 0.633 20 0 DCADHO CN(CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1)C1CCC1 ZINC000946623938 666557055 /nfs/dbraw/zinc/55/70/55/666557055.db2.gz VDYUSKDMOIDDDC-GASCZTMLSA-N 1 3 309.454 0.633 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1)N(C)C ZINC001004545420 666560374 /nfs/dbraw/zinc/56/03/74/666560374.db2.gz CCWTZBNACAEWOM-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1)N(C)C ZINC001004545420 666560376 /nfs/dbraw/zinc/56/03/76/666560376.db2.gz CCWTZBNACAEWOM-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C)C(N)=O ZINC000995884712 666718910 /nfs/dbraw/zinc/71/89/10/666718910.db2.gz HIOHWMKEZNPZDW-QWHCGFSZSA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1)N(C)C ZINC000995944143 666722396 /nfs/dbraw/zinc/72/23/96/666722396.db2.gz AQYYZENDXLHIRE-ZIAGYGMSSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@H](C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996381811 666779294 /nfs/dbraw/zinc/77/92/94/666779294.db2.gz ZSBGMPXSQBMYAK-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000996445007 666787823 /nfs/dbraw/zinc/78/78/23/666787823.db2.gz ZLOOQPNVSOHGAC-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000996445007 666787825 /nfs/dbraw/zinc/78/78/25/666787825.db2.gz ZLOOQPNVSOHGAC-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CCN(CCO)CC1 ZINC001005388583 666840184 /nfs/dbraw/zinc/84/01/84/666840184.db2.gz AOANROHJWSXIAT-ZBFHGGJFSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CCN(CCO)CC1 ZINC001005388583 666840186 /nfs/dbraw/zinc/84/01/86/666840186.db2.gz AOANROHJWSXIAT-ZBFHGGJFSA-N 1 3 309.454 0.776 20 0 DCADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCCO)C1 ZINC001033832230 666840777 /nfs/dbraw/zinc/84/07/77/666840777.db2.gz FCHRHTOVMHPGDE-HZPDHXFCSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2cncn2C)CC1)C1CC1 ZINC000996676470 666857346 /nfs/dbraw/zinc/85/73/46/666857346.db2.gz HNIABDSQHLBFBB-INIZCTEOSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CCCCC1 ZINC000861728834 666967475 /nfs/dbraw/zinc/96/74/75/666967475.db2.gz LOUGMTAAJSGEDP-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034796779 667149452 /nfs/dbraw/zinc/14/94/52/667149452.db2.gz MTOJGCMAOIHQIM-XUXIUFHCSA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001034975524 667202110 /nfs/dbraw/zinc/20/21/10/667202110.db2.gz SHBVEUGOTQASKP-MGPQQGTHSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(N1CCC(NCc2cnns2)CC1)C12CC[NH+](CC1)C2 ZINC000997190180 667211297 /nfs/dbraw/zinc/21/12/97/667211297.db2.gz XKSNKVCBRDLAKC-UHFFFAOYSA-N 1 3 321.450 0.715 20 0 DCADHO Cc1nnc([C@H](C)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997299471 667240287 /nfs/dbraw/zinc/24/02/87/667240287.db2.gz NWCHLGOUGTZNTA-AAEUAGOBSA-N 1 3 320.441 0.706 20 0 DCADHO Cc1nnc([C@H](C)NC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997299471 667240289 /nfs/dbraw/zinc/24/02/89/667240289.db2.gz NWCHLGOUGTZNTA-AAEUAGOBSA-N 1 3 320.441 0.706 20 0 DCADHO Cc1nnsc1CNC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997304889 667243762 /nfs/dbraw/zinc/24/37/62/667243762.db2.gz XKGORCPHDCWMEZ-LBPRGKRZSA-N 1 3 323.466 0.879 20 0 DCADHO Cc1nnsc1CNC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997304889 667243765 /nfs/dbraw/zinc/24/37/65/667243765.db2.gz XKGORCPHDCWMEZ-LBPRGKRZSA-N 1 3 323.466 0.879 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001035125964 667252096 /nfs/dbraw/zinc/25/20/96/667252096.db2.gz PHHXZCRLMIZQGR-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001035125964 667252099 /nfs/dbraw/zinc/25/20/99/667252099.db2.gz PHHXZCRLMIZQGR-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO O=C(N[C@H]1CCN(C[C@@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001016003113 667331954 /nfs/dbraw/zinc/33/19/54/667331954.db2.gz BBQMHJVAMGGJBI-GJZGRUSLSA-N 1 3 307.438 0.842 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC2(CN(CCCO)C2)CC1 ZINC001035706391 667402691 /nfs/dbraw/zinc/40/26/91/667402691.db2.gz NVGLCWSRQHMYCK-MRXNPFEDSA-N 1 3 321.465 0.635 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CCCO)C2)CC1)C1CC1 ZINC001035720170 667403967 /nfs/dbraw/zinc/40/39/67/667403967.db2.gz HEQLPRZRMZYBOS-HNNXBMFYSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](C[C@@H](C)O)C2)CC1)N(C)C ZINC001035726507 667404689 /nfs/dbraw/zinc/40/46/89/667404689.db2.gz BGIPAPXMFIYZJI-CABCVRRESA-N 1 3 311.470 0.878 20 0 DCADHO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001035733295 667405787 /nfs/dbraw/zinc/40/57/87/667405787.db2.gz YGKFWYGVPAZSLQ-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035858438 667414798 /nfs/dbraw/zinc/41/47/98/667414798.db2.gz IAFCBRNOZFWJPN-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccnn1C ZINC001036206267 667429854 /nfs/dbraw/zinc/42/98/54/667429854.db2.gz QGJDSVNIBASRLT-IUODEOHRSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001036293064 667434476 /nfs/dbraw/zinc/43/44/76/667434476.db2.gz FPGNQJVFWGAFJW-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO O=C1C[C@H](c2ccccc2)N(C[C@H]2CC3(C[NH2+]C3)CO2)CCN1 ZINC000923306146 667502241 /nfs/dbraw/zinc/50/22/41/667502241.db2.gz HKIVWHYUGUMDML-HZPDHXFCSA-N 1 3 315.417 0.928 20 0 DCADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC2(N)CCC2)cc1 ZINC000923334209 667510123 /nfs/dbraw/zinc/51/01/23/667510123.db2.gz UZIVWZHXOGAXPA-AWEZNQCLSA-N 1 3 307.394 0.856 20 0 DCADHO CC(C)CC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416791 667527405 /nfs/dbraw/zinc/52/74/05/667527405.db2.gz ZVFDLUWZSBRCEA-TUVASFSCSA-N 1 3 311.426 0.650 20 0 DCADHO N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884339798 667528022 /nfs/dbraw/zinc/52/80/22/667528022.db2.gz XIEWHXBCBZVYLL-TZMCWYRMSA-N 1 3 302.378 0.142 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC000923411930 667529395 /nfs/dbraw/zinc/52/93/95/667529395.db2.gz TXOHCWHZNDLCHR-HOTGVXAUSA-N 1 3 301.394 0.587 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC000923411930 667529397 /nfs/dbraw/zinc/52/93/97/667529397.db2.gz TXOHCWHZNDLCHR-HOTGVXAUSA-N 1 3 301.394 0.587 20 0 DCADHO COCCCNC(=O)[C@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455737 667535370 /nfs/dbraw/zinc/53/53/70/667535370.db2.gz VEDLKGTVAXLXEN-KBPBESRZSA-N 1 3 313.442 0.357 20 0 DCADHO [NH3+]CCOCCN1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC000923540546 667558039 /nfs/dbraw/zinc/55/80/39/667558039.db2.gz JRERAZOBMSEIAB-HUUCEWRRSA-N 1 3 305.422 0.944 20 0 DCADHO c1ccc2c(c1)[C@H](C[C@@H]1COCC[NH2+]1)CN2C[C@H]1CNCCO1 ZINC000923541736 667558989 /nfs/dbraw/zinc/55/89/89/667558989.db2.gz VOJOXBKTRPKMRS-BZUAXINKSA-N 1 3 317.433 0.957 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1(C)C ZINC000868404812 667566417 /nfs/dbraw/zinc/56/64/17/667566417.db2.gz GOTXEJOQLXUUOP-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000884578106 667569983 /nfs/dbraw/zinc/56/99/83/667569983.db2.gz TUCFEQVHBUXRML-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)C2CNC2)C1 ZINC000923590198 667573852 /nfs/dbraw/zinc/57/38/52/667573852.db2.gz ZQZDIWGWAVBPQP-CHWSQXEVSA-N 1 3 303.472 0.636 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)C2CNC2)C1 ZINC000923590199 667574236 /nfs/dbraw/zinc/57/42/36/667574236.db2.gz ZQZDIWGWAVBPQP-STQMWFEESA-N 1 3 303.472 0.636 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000884684093 667589184 /nfs/dbraw/zinc/58/91/84/667589184.db2.gz XESWZDOAHOJTEG-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCC1(C)C ZINC000884694514 667594003 /nfs/dbraw/zinc/59/40/03/667594003.db2.gz OZBKYPPEERXHLE-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCC1(C)C ZINC000884709977 667596851 /nfs/dbraw/zinc/59/68/51/667596851.db2.gz VBANMYNCLMBIOY-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884875617 667617597 /nfs/dbraw/zinc/61/75/97/667617597.db2.gz HGFLTHOJSBYXCW-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000884921843 667623747 /nfs/dbraw/zinc/62/37/47/667623747.db2.gz GWDBXTUTYXNTNW-RBSFLKMASA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967283 667629074 /nfs/dbraw/zinc/62/90/74/667629074.db2.gz DSPVRYRMAFCSDK-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885007409 667634516 /nfs/dbraw/zinc/63/45/16/667634516.db2.gz HUXQGYUUNBLCLF-XGUBFFRZSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[C@H](CNC(=O)CC[NH2+]CC1CC1)N1CCN(C)CC1 ZINC000870896885 667771350 /nfs/dbraw/zinc/77/13/50/667771350.db2.gz SMJFEASUHJJNCF-INIZCTEOSA-N 1 3 310.486 0.764 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870902299 667771894 /nfs/dbraw/zinc/77/18/94/667771894.db2.gz FPGFFXFPFZGZGF-HJOIGYKYSA-N 1 3 322.497 0.908 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000886600206 667781680 /nfs/dbraw/zinc/78/16/80/667781680.db2.gz OXRSMAXGSBQQHS-JKSUJKDBSA-N 1 3 309.454 0.896 20 0 DCADHO [NH3+]C[C@H](NS(=O)(=O)C1CNC1)c1ccc2ccccc2c1 ZINC000923636042 667890163 /nfs/dbraw/zinc/89/01/63/667890163.db2.gz KIRLGJAHUYNZNZ-HNNXBMFYSA-N 1 3 305.403 0.731 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873249353 668068861 /nfs/dbraw/zinc/06/88/61/668068861.db2.gz MQMRIMOTWLUJAW-VXGBXAGGSA-N 1 3 304.394 0.954 20 0 DCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924521400 668214642 /nfs/dbraw/zinc/21/46/42/668214642.db2.gz CYDFTDPNWDITBC-CHWSQXEVSA-N 1 3 310.442 0.979 20 0 DCADHO C[C@@H]1CCC[N@H+](C(C)(C)CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924521400 668214643 /nfs/dbraw/zinc/21/46/43/668214643.db2.gz CYDFTDPNWDITBC-CHWSQXEVSA-N 1 3 310.442 0.979 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000874826815 668223378 /nfs/dbraw/zinc/22/33/78/668223378.db2.gz PWWOLPQMEPAOKY-LSDHHAIUSA-N 1 3 305.426 0.753 20 0 DCADHO NCc1cn(-c2cccc(CN[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)c2)nn1 ZINC000925721814 668342873 /nfs/dbraw/zinc/34/28/73/668342873.db2.gz GQRHSZAMZYMAFD-ZNIOLIJQSA-N 1 3 324.432 0.812 20 0 DCADHO CC1(C)[C@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)[C@@H]2CCCN[C@@H]21 ZINC000925788762 668348251 /nfs/dbraw/zinc/34/82/51/668348251.db2.gz LHTRMLSBMAPHJC-RFQIPJPRSA-N 1 3 315.483 0.129 20 0 DCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000926335282 668394826 /nfs/dbraw/zinc/39/48/26/668394826.db2.gz XKRAVUBJVDMKJI-HUUCEWRRSA-N 1 3 322.453 0.271 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000927639529 668489911 /nfs/dbraw/zinc/48/99/11/668489911.db2.gz DRFNOTYKCHAYJB-HOCLYGCPSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876738932 668499617 /nfs/dbraw/zinc/49/96/17/668499617.db2.gz AOIOGRHPTQIHRD-XHSDSOJGSA-N 1 3 310.486 0.988 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876738932 668499619 /nfs/dbraw/zinc/49/96/19/668499619.db2.gz AOIOGRHPTQIHRD-XHSDSOJGSA-N 1 3 310.486 0.988 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876781111 668509592 /nfs/dbraw/zinc/50/95/92/668509592.db2.gz CUAPAORTZBRKBC-ILXRZTDVSA-N 1 3 314.449 0.324 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000876780255 668509931 /nfs/dbraw/zinc/50/99/31/668509931.db2.gz SXHKPYVXEJSKPR-UHFFFAOYSA-N 1 3 300.366 0.236 20 0 DCADHO C[C@H](CNC(=O)/C=C/[C@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000876782397 668510377 /nfs/dbraw/zinc/51/03/77/668510377.db2.gz PYUPWSOOYMRBTM-DOOVEFGSSA-N 1 3 308.470 0.542 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000876881019 668526826 /nfs/dbraw/zinc/52/68/26/668526826.db2.gz SWNKUTKQZADXSW-HVLYNSROSA-N 1 3 308.470 0.494 20 0 DCADHO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)OCCNC2 ZINC000877053754 668557891 /nfs/dbraw/zinc/55/78/91/668557891.db2.gz AQNRHNNIPJJGQK-CQSZACIVSA-N 1 3 305.378 0.876 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)C[C@@H]3CCC[NH2+]3)c2)nn1 ZINC000877207750 668577154 /nfs/dbraw/zinc/57/71/54/668577154.db2.gz ICLHYIFDAQQDPT-ZDUSSCGKSA-N 1 3 314.393 0.484 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3(C)C)CC2)CC1 ZINC000877251601 668584141 /nfs/dbraw/zinc/58/41/41/668584141.db2.gz RMORJPLOWSXWMQ-CABCVRRESA-N 1 3 308.470 0.598 20 0 DCADHO COC[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]C1 ZINC000877341868 668605310 /nfs/dbraw/zinc/60/53/10/668605310.db2.gz XCPPWXBEVHMVPS-DOTOQJQBSA-N 1 3 303.406 0.443 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1 ZINC000879991611 669142004 /nfs/dbraw/zinc/14/20/04/669142004.db2.gz HDFGHWJFBWOFOU-QGZVFWFLSA-N 1 3 319.449 0.977 20 0 DCADHO COC(=O)CNC(=O)CCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263032 669183157 /nfs/dbraw/zinc/18/31/57/669183157.db2.gz WEIHOKUWOPIAJE-CYBMUJFWSA-N 1 3 320.393 0.271 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000931567059 669223711 /nfs/dbraw/zinc/22/37/11/669223711.db2.gz MCMLBASVTUEUBG-OLZOCXBDSA-N 1 3 306.414 0.613 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000931567059 669223715 /nfs/dbraw/zinc/22/37/15/669223715.db2.gz MCMLBASVTUEUBG-OLZOCXBDSA-N 1 3 306.414 0.613 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000931567058 669223836 /nfs/dbraw/zinc/22/38/36/669223836.db2.gz MCMLBASVTUEUBG-CHWSQXEVSA-N 1 3 306.414 0.613 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000931567058 669223840 /nfs/dbraw/zinc/22/38/40/669223840.db2.gz MCMLBASVTUEUBG-CHWSQXEVSA-N 1 3 306.414 0.613 20 0 DCADHO C[C@@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000881024370 669287485 /nfs/dbraw/zinc/28/74/85/669287485.db2.gz ZGLXNFKFSDDWEB-DOMZBBRYSA-N 1 3 316.409 0.717 20 0 DCADHO CCOC(=O)C1([C@H](C)NC[C@@H](O)C[N@H+](C)CC)CCOCC1 ZINC000933884944 669547888 /nfs/dbraw/zinc/54/78/88/669547888.db2.gz VWYIRQIIGGZFKD-UONOGXRCSA-N 1 3 316.442 0.637 20 0 DCADHO CCOC(=O)C1([C@H](C)NC[C@@H](O)C[N@@H+](C)CC)CCOCC1 ZINC000933884944 669547891 /nfs/dbraw/zinc/54/78/91/669547891.db2.gz VWYIRQIIGGZFKD-UONOGXRCSA-N 1 3 316.442 0.637 20 0 DCADHO OCc1cc(N[C@H]2CCCN(CCN3CCOCC3)C2)cc[nH+]1 ZINC000882987263 669634951 /nfs/dbraw/zinc/63/49/51/669634951.db2.gz XIJOUTNEEPXHQF-INIZCTEOSA-N 1 3 320.437 0.782 20 0 DCADHO CS[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1N(C)C ZINC000935111759 669681669 /nfs/dbraw/zinc/68/16/69/669681669.db2.gz RZWKJIYWXRYMNP-KGLIPLIRSA-N 1 3 315.483 0.601 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950822164 670133610 /nfs/dbraw/zinc/13/36/10/670133610.db2.gz YULMHGWUUMFRIG-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCO)C2)CCC1 ZINC001036735907 670166539 /nfs/dbraw/zinc/16/65/39/670166539.db2.gz RPLCHTVZRGSASH-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCO)C2)CCC1 ZINC001036735907 670166543 /nfs/dbraw/zinc/16/65/43/670166543.db2.gz RPLCHTVZRGSASH-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000811063858 670504542 /nfs/dbraw/zinc/50/45/42/670504542.db2.gz NUXXLOXOGXGBMU-LSDHHAIUSA-N 1 3 301.406 0.382 20 0 DCADHO C[N@H+]1CC[C@](O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000811063858 670504549 /nfs/dbraw/zinc/50/45/49/670504549.db2.gz NUXXLOXOGXGBMU-LSDHHAIUSA-N 1 3 301.406 0.382 20 0 DCADHO Cc1nccn1CCCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854354956 670553846 /nfs/dbraw/zinc/55/38/46/670553846.db2.gz VYPBKHPUQHIOPK-OAHLLOKOSA-N 1 3 305.426 0.478 20 0 DCADHO Cc1nccn1CCCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000854354956 670553851 /nfs/dbraw/zinc/55/38/51/670553851.db2.gz VYPBKHPUQHIOPK-OAHLLOKOSA-N 1 3 305.426 0.478 20 0 DCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000813630932 670639722 /nfs/dbraw/zinc/63/97/22/670639722.db2.gz SFAJRTSLFDZXDQ-UXLLHSPISA-N 1 3 322.453 0.587 20 0 DCADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000813630932 670639727 /nfs/dbraw/zinc/63/97/27/670639727.db2.gz SFAJRTSLFDZXDQ-UXLLHSPISA-N 1 3 322.453 0.587 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849608332 670825663 /nfs/dbraw/zinc/82/56/63/670825663.db2.gz OLKYDRHFTVZQAP-FVQBIDKESA-N 1 3 321.469 0.912 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817962871 670956688 /nfs/dbraw/zinc/95/66/88/670956688.db2.gz MJKPEKDBJZHAAV-WMLDXEAASA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc(F)cn2)CC1(C)C ZINC000819288240 671108700 /nfs/dbraw/zinc/10/87/00/671108700.db2.gz WGMYDRMLWRKUIE-OAHLLOKOSA-N 1 3 310.417 0.870 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859523490 671122992 /nfs/dbraw/zinc/12/29/92/671122992.db2.gz XCFOVSAMVWZJGV-CVEARBPZSA-N 1 3 314.470 0.941 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859523490 671122994 /nfs/dbraw/zinc/12/29/94/671122994.db2.gz XCFOVSAMVWZJGV-CVEARBPZSA-N 1 3 314.470 0.941 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CCO1 ZINC000852754607 671156900 /nfs/dbraw/zinc/15/69/00/671156900.db2.gz XWUWUVIDTBDJED-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO C[NH+](C)CCNC(=S)NC1CCN([C@@H]2CCOC2)CC1 ZINC000853031328 671203559 /nfs/dbraw/zinc/20/35/59/671203559.db2.gz GQJIYZQNRNYCLQ-CYBMUJFWSA-N 1 3 300.472 0.265 20 0 DCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853098055 671208087 /nfs/dbraw/zinc/20/80/87/671208087.db2.gz KLDYLVVCZOJGRV-HIFRSBDPSA-N 1 3 306.410 0.292 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000828247782 671548234 /nfs/dbraw/zinc/54/82/34/671548234.db2.gz ZZIZUJFFIFGLJI-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790258 671955580 /nfs/dbraw/zinc/95/55/80/671955580.db2.gz BETWEPTZBUHIGI-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790258 671955581 /nfs/dbraw/zinc/95/55/81/671955581.db2.gz BETWEPTZBUHIGI-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000841791513 671956029 /nfs/dbraw/zinc/95/60/29/671956029.db2.gz YQSHAJYZWTYTDV-JKSUJKDBSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841791163 671956536 /nfs/dbraw/zinc/95/65/36/671956536.db2.gz ONMAMSOAZNFKBP-QPSCCSFWSA-N 1 3 308.426 0.386 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841830474 671958290 /nfs/dbraw/zinc/95/82/90/671958290.db2.gz IRONQZBOBFKIDG-INIZCTEOSA-N 1 3 320.437 0.708 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843259864 672075823 /nfs/dbraw/zinc/07/58/23/672075823.db2.gz AKOHBXAKTOKGGX-CQSZACIVSA-N 1 3 312.458 0.563 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843259698 672075830 /nfs/dbraw/zinc/07/58/30/672075830.db2.gz QOKQDBTVAKPSKM-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843259791 672075991 /nfs/dbraw/zinc/07/59/91/672075991.db2.gz QYYVTWBMSMGUNC-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO COCCS(=O)(=O)CCCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388952 672090474 /nfs/dbraw/zinc/09/04/74/672090474.db2.gz YZVPUDFKYIUNPW-HUUCEWRRSA-N 1 3 318.483 0.759 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000844192218 672161590 /nfs/dbraw/zinc/16/15/90/672161590.db2.gz IXBCVDKWCLNCKI-HNNXBMFYSA-N 1 3 307.373 0.474 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867419935 672312197 /nfs/dbraw/zinc/31/21/97/672312197.db2.gz CODGZFHFGSCUDN-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867419935 672312198 /nfs/dbraw/zinc/31/21/98/672312198.db2.gz CODGZFHFGSCUDN-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1COCCN1C1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000846913865 672353039 /nfs/dbraw/zinc/35/30/39/672353039.db2.gz VMCMTLQZGZPFTQ-WBVHZDCISA-N 1 3 311.470 0.628 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001649008490 1158417405 /nfs/dbraw/zinc/41/74/05/1158417405.db2.gz VCNKISOTMOYKRY-MCIONIFRSA-N 1 3 315.483 0.812 20 0 DCADHO CCCS(=O)(=O)N1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396603985 685270193 /nfs/dbraw/zinc/27/01/93/685270193.db2.gz YJFONACJEKVTMG-OCCSQVGLSA-N 1 3 303.472 0.921 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=S)NCC[NH+](C)C)CC1 ZINC000840827451 685363449 /nfs/dbraw/zinc/36/34/49/685363449.db2.gz ITODEFBXNNVNEG-UHFFFAOYSA-N 1 3 315.531 0.428 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892563504 685427325 /nfs/dbraw/zinc/42/73/25/685427325.db2.gz WKZOGXZMXULURV-OKILXGFUSA-N 1 3 305.426 0.892 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000892573803 685431134 /nfs/dbraw/zinc/43/11/34/685431134.db2.gz GXLSOXJWGKYATN-IYXRBSQSSA-N 1 3 303.472 0.178 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001024900812 693843692 /nfs/dbraw/zinc/84/36/92/693843692.db2.gz HXMAUYHVMKFFBD-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000954842944 686159729 /nfs/dbraw/zinc/15/97/29/686159729.db2.gz OLJJUROZVOWBJS-AWEZNQCLSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCF)C1 ZINC001038628432 694138235 /nfs/dbraw/zinc/13/82/35/694138235.db2.gz QTSMFMBLMUBFAK-ZIAGYGMSSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)C1 ZINC001038628432 694138237 /nfs/dbraw/zinc/13/82/37/694138237.db2.gz QTSMFMBLMUBFAK-ZIAGYGMSSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)CN1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038812075 694199089 /nfs/dbraw/zinc/19/90/89/694199089.db2.gz YIYLWQLIQNIZKA-HNNXBMFYSA-N 1 3 307.442 0.905 20 0 DCADHO C[N@@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)C[C@@H]1CCOC1 ZINC000960914625 688481930 /nfs/dbraw/zinc/48/19/30/688481930.db2.gz URKKRAKABGVBNF-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)C[C@@H]1CCOC1 ZINC000960914625 688481935 /nfs/dbraw/zinc/48/19/35/688481935.db2.gz URKKRAKABGVBNF-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961286774 688588321 /nfs/dbraw/zinc/58/83/21/688588321.db2.gz YKIOLUXXBJXIMI-AHRVAXILSA-N 1 3 305.422 0.304 20 0 DCADHO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961286774 688588323 /nfs/dbraw/zinc/58/83/23/688588323.db2.gz YKIOLUXXBJXIMI-AHRVAXILSA-N 1 3 305.422 0.304 20 0 DCADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21)N1CCCC1 ZINC000961465006 688625478 /nfs/dbraw/zinc/62/54/78/688625478.db2.gz OXBAQXULDFMKJR-CAOSSQGBSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21)N1CCCC1 ZINC000961465006 688625482 /nfs/dbraw/zinc/62/54/82/688625482.db2.gz OXBAQXULDFMKJR-CAOSSQGBSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000963787719 689095250 /nfs/dbraw/zinc/09/52/50/689095250.db2.gz KWKAXFBFEOCOGR-LETWWHAPSA-N 1 3 309.454 0.869 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC000969074518 690463632 /nfs/dbraw/zinc/46/36/32/690463632.db2.gz HKUZBRYYMUWHKJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007993077 690785075 /nfs/dbraw/zinc/78/50/75/690785075.db2.gz YNBNURZAXJWOKJ-KRIMKBQASA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007993077 690785078 /nfs/dbraw/zinc/78/50/78/690785078.db2.gz YNBNURZAXJWOKJ-KRIMKBQASA-N 1 3 307.438 0.839 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015390428 692283938 /nfs/dbraw/zinc/28/39/38/692283938.db2.gz CRAVHXQLUNMCRW-ZBFHGGJFSA-N 1 3 319.449 0.976 20 0 DCADHO C[C@@H](O)CN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713247 692411792 /nfs/dbraw/zinc/41/17/92/692411792.db2.gz LDPLXPDOMZSBBN-RHSMWYFYSA-N 1 3 319.449 0.976 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2)N(C)C ZINC001040381576 694543881 /nfs/dbraw/zinc/54/38/81/694543881.db2.gz XQHWDTLEBKFNCI-NVXWUHKLSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2)N(C)C ZINC001040381576 694543883 /nfs/dbraw/zinc/54/38/83/694543883.db2.gz XQHWDTLEBKFNCI-NVXWUHKLSA-N 1 3 311.470 0.879 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](C[C@H](C)O)CC2 ZINC001016949987 692811221 /nfs/dbraw/zinc/81/12/21/692811221.db2.gz IAFDJROULNCCFD-SMDDNHRTSA-N 1 3 306.410 0.612 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001018634505 693170121 /nfs/dbraw/zinc/17/01/21/693170121.db2.gz IAWFXTMFNIISML-GJZGRUSLSA-N 1 3 320.441 0.180 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n[nH]1 ZINC001018853992 693263599 /nfs/dbraw/zinc/26/35/99/693263599.db2.gz BHONZZSALBIZNM-UONOGXRCSA-N 1 3 318.425 0.145 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC001018865159 693267972 /nfs/dbraw/zinc/26/79/72/693267972.db2.gz DVVRWUZDLAOOAI-VNHYZAJKSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC001018865159 693267976 /nfs/dbraw/zinc/26/79/76/693267976.db2.gz DVVRWUZDLAOOAI-VNHYZAJKSA-N 1 3 305.426 0.451 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1)C1CC1 ZINC001018966650 693299777 /nfs/dbraw/zinc/29/97/77/693299777.db2.gz OWIPAWKVXPIMDU-LSDHHAIUSA-N 1 3 305.426 0.414 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC001018966908 693300590 /nfs/dbraw/zinc/30/05/90/693300590.db2.gz WZECXVAZXMOLRS-JKSUJKDBSA-N 1 3 317.437 0.816 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019068989 693341988 /nfs/dbraw/zinc/34/19/88/693341988.db2.gz XFSQBZXXIOGQCM-LBPRGKRZSA-N 1 3 310.442 0.315 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019068989 693341992 /nfs/dbraw/zinc/34/19/92/693341992.db2.gz XFSQBZXXIOGQCM-LBPRGKRZSA-N 1 3 310.442 0.315 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC001019380951 693454555 /nfs/dbraw/zinc/45/45/55/693454555.db2.gz SPHBRLCNUAKCAZ-CJNGLKHVSA-N 1 3 317.437 0.960 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001019380951 693454560 /nfs/dbraw/zinc/45/45/60/693454560.db2.gz SPHBRLCNUAKCAZ-CJNGLKHVSA-N 1 3 317.437 0.960 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001019380962 693455306 /nfs/dbraw/zinc/45/53/06/693455306.db2.gz UANNMTACYXNGNT-CABCVRRESA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001072679222 694651465 /nfs/dbraw/zinc/65/14/65/694651465.db2.gz FXLHDEXCXPKAOS-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC001073016453 694694976 /nfs/dbraw/zinc/69/49/76/694694976.db2.gz ZJGFDHJDSBIIKI-CYBMUJFWSA-N 1 3 304.394 0.523 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC001073016453 694694977 /nfs/dbraw/zinc/69/49/77/694694977.db2.gz ZJGFDHJDSBIIKI-CYBMUJFWSA-N 1 3 304.394 0.523 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074563194 694907887 /nfs/dbraw/zinc/90/78/87/694907887.db2.gz XEHUZMHLHRXACZ-KKUMJFAQSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001074563048 694908044 /nfs/dbraw/zinc/90/80/44/694908044.db2.gz SZKRYEDHNPDFBC-CWRNSKLLSA-N 1 3 319.453 0.902 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687053 694917084 /nfs/dbraw/zinc/91/70/84/694917084.db2.gz NLWPIXGGZGBFIN-QEJZJMRPSA-N 1 3 322.453 0.280 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H]1C)N(C)C ZINC001074711361 694918478 /nfs/dbraw/zinc/91/84/78/694918478.db2.gz YENYLHIOTHNGOD-AEGPPILISA-N 1 3 307.442 0.839 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)[C@@H]1C)N(C)C ZINC001074709962 694918482 /nfs/dbraw/zinc/91/84/82/694918482.db2.gz XNXZSUJMSQNIRF-CWRNSKLLSA-N 1 3 321.469 0.882 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCOC)C[C@H]32)CC[N@@H+]1C ZINC001075813618 694978404 /nfs/dbraw/zinc/97/84/04/694978404.db2.gz PQIZRHQJCXPOSQ-CAOSSQGBSA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(CCOC)C[C@H]32)CC[N@H+]1C ZINC001075813618 694978405 /nfs/dbraw/zinc/97/84/05/694978405.db2.gz PQIZRHQJCXPOSQ-CAOSSQGBSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001691476701 1157789702 /nfs/dbraw/zinc/78/97/02/1157789702.db2.gz PBTFZCBOVZZMTO-KGLIPLIRSA-N 1 3 320.441 0.155 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001649001983 1158368742 /nfs/dbraw/zinc/36/87/42/1158368742.db2.gz UUPKOMBOEGJHQP-VNQPRFMTSA-N 1 3 306.454 0.365 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001649001983 1158368750 /nfs/dbraw/zinc/36/87/50/1158368750.db2.gz UUPKOMBOEGJHQP-VNQPRFMTSA-N 1 3 306.454 0.365 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCC(=O)N(C)C ZINC001483098016 1158374083 /nfs/dbraw/zinc/37/40/83/1158374083.db2.gz ONWFYJWTSKMITB-AFNCTOJWSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCC(=O)N(C)C ZINC001483098016 1158374089 /nfs/dbraw/zinc/37/40/89/1158374089.db2.gz ONWFYJWTSKMITB-AFNCTOJWSA-N 1 3 310.442 0.211 20 0 DCADHO CSCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001649061375 1158628689 /nfs/dbraw/zinc/62/86/89/1158628689.db2.gz WGOMUESOXZHFAM-NEPJUHHUSA-N 1 3 301.456 0.342 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCN(C)C(=O)CC[NH+](C)C ZINC001687564467 1159053478 /nfs/dbraw/zinc/05/34/78/1159053478.db2.gz LKUJPJGPEJUMHH-UHFFFAOYSA-N 1 3 309.414 0.177 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001720111194 1159078047 /nfs/dbraw/zinc/07/80/47/1159078047.db2.gz LIBHXVLUHLFXKQ-LSDHHAIUSA-N 1 3 324.469 0.147 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)n[nH]1 ZINC001445971907 1159325838 /nfs/dbraw/zinc/32/58/38/1159325838.db2.gz UEBXTIJIVCLMLE-MFKMUULPSA-N 1 3 308.430 0.610 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001446433456 1159412428 /nfs/dbraw/zinc/41/24/28/1159412428.db2.gz KPXNPXKTYHPOPO-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001447264999 1159607305 /nfs/dbraw/zinc/60/73/05/1159607305.db2.gz OGANIQGGYNREMM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001447264999 1159607309 /nfs/dbraw/zinc/60/73/09/1159607309.db2.gz OGANIQGGYNREMM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H]1CCCNC1=O ZINC001566543511 1160047551 /nfs/dbraw/zinc/04/75/51/1160047551.db2.gz RALZPGCFSSUREX-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H]1CCCNC1=O ZINC001566543511 1160047558 /nfs/dbraw/zinc/04/75/58/1160047558.db2.gz RALZPGCFSSUREX-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCC(C)CC1)[C@@H](C)C(N)=O ZINC001566570753 1160068425 /nfs/dbraw/zinc/06/84/25/1160068425.db2.gz QFYSJSGFVJBELZ-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCC(C)CC1)[C@@H](C)C(N)=O ZINC001566570753 1160068432 /nfs/dbraw/zinc/06/84/32/1160068432.db2.gz QFYSJSGFVJBELZ-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO COCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567054020 1160223113 /nfs/dbraw/zinc/22/31/13/1160223113.db2.gz ISJALFALWAIQIC-WFASDCNBSA-N 1 3 303.422 0.940 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001567088268 1160235797 /nfs/dbraw/zinc/23/57/97/1160235797.db2.gz JFEVGFBTXZVONA-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H]([NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1)C(N)=O ZINC001568938582 1160883084 /nfs/dbraw/zinc/88/30/84/1160883084.db2.gz BISHKVQAFLCQOJ-WSNITJDQSA-N 1 3 310.442 0.244 20 0 DCADHO COCCC[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001569877364 1161291000 /nfs/dbraw/zinc/29/10/00/1161291000.db2.gz JSRCLKZRSJHWKE-GASCZTMLSA-N 1 3 309.454 0.897 20 0 DCADHO COCCC[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001569877364 1161291004 /nfs/dbraw/zinc/29/10/04/1161291004.db2.gz JSRCLKZRSJHWKE-GASCZTMLSA-N 1 3 309.454 0.897 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570005772 1161378913 /nfs/dbraw/zinc/37/89/13/1161378913.db2.gz NLYKBAWLEQVIBF-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CCCF)C2)C1 ZINC001570290630 1161545513 /nfs/dbraw/zinc/54/55/13/1161545513.db2.gz BPFRUNIDCDCIFD-GOEBONIOSA-N 1 3 315.433 0.631 20 0 DCADHO CC1(C)CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC(C)(C)N1 ZINC001573609081 1163515634 /nfs/dbraw/zinc/51/56/34/1163515634.db2.gz MECRGZQTKCZYTM-LBPRGKRZSA-N 1 3 303.472 0.921 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001575331811 1163977903 /nfs/dbraw/zinc/97/79/03/1163977903.db2.gz OGXSQUJVILIYGO-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NCc1c[nH]nn1 ZINC001575553086 1164059971 /nfs/dbraw/zinc/05/99/71/1164059971.db2.gz OODWYGVWPLFKKE-CYBMUJFWSA-N 1 3 320.441 0.617 20 0 DCADHO C[C@@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]CCc1c[nH]nn1 ZINC001575611467 1164083045 /nfs/dbraw/zinc/08/30/45/1164083045.db2.gz KATCKAZFRDOYBO-LLVKDONJSA-N 1 3 305.386 0.045 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)C[NH2+]1 ZINC001576656326 1164423536 /nfs/dbraw/zinc/42/35/36/1164423536.db2.gz GXBYDXSTLCTYQT-OEAJRASXSA-N 1 3 319.453 0.712 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@@H](NCc3c[nH]nn3)C2)CC1 ZINC001576876115 1164509036 /nfs/dbraw/zinc/50/90/36/1164509036.db2.gz MRYSROVCKMMFJM-CYBMUJFWSA-N 1 3 306.414 0.227 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H](N)C(C)(C)O)c1 ZINC001578419189 1165008703 /nfs/dbraw/zinc/00/87/03/1165008703.db2.gz KIPPELHZUGRIRZ-CQSZACIVSA-N 1 3 309.410 0.341 20 0 DCADHO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4c(c3)OCCNC4)[C@@H]2C1 ZINC001578524461 1165043281 /nfs/dbraw/zinc/04/32/81/1165043281.db2.gz WUFRBVUGCQAGSK-HUUCEWRRSA-N 1 3 301.390 0.945 20 0 DCADHO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc4c(c3)OCCNC4)[C@@H]2C1 ZINC001578524461 1165043287 /nfs/dbraw/zinc/04/32/87/1165043287.db2.gz WUFRBVUGCQAGSK-HUUCEWRRSA-N 1 3 301.390 0.945 20 0 DCADHO CN(C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(C)C1 ZINC001578529511 1165045949 /nfs/dbraw/zinc/04/59/49/1165045949.db2.gz WXXIETGWWZOATP-NWDGAFQWSA-N 1 3 304.385 0.967 20 0 DCADHO CN(C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(C)C1 ZINC001578529512 1165046502 /nfs/dbraw/zinc/04/65/02/1165046502.db2.gz WXXIETGWWZOATP-RYUDHWBXSA-N 1 3 304.385 0.967 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC001578533707 1165050798 /nfs/dbraw/zinc/05/07/98/1165050798.db2.gz UNWPFMZZSQROTD-LSDHHAIUSA-N 1 3 311.474 0.393 20 0 DCADHO CN1CC[NH2+]C[C@@H]1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC001578540192 1165053082 /nfs/dbraw/zinc/05/30/82/1165053082.db2.gz PLDOVWMDGFPANZ-JKSUJKDBSA-N 1 3 318.421 0.095 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CNCCO[C@H]2CCCCO2)cnn1C ZINC001579530292 1165338382 /nfs/dbraw/zinc/33/83/82/1165338382.db2.gz STTDNZAULHGLLC-HOCLYGCPSA-N 1 3 310.442 0.979 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001579827631 1165405265 /nfs/dbraw/zinc/40/52/65/1165405265.db2.gz MIDVDXJRLOWBPF-MCIONIFRSA-N 1 3 305.426 0.938 20 0 DCADHO Cn1ccc([C@@H]2CCCN(C[C@@H]3CC4(C[NH2+]C4)C(=O)O3)C2)n1 ZINC001579970835 1165455308 /nfs/dbraw/zinc/45/53/08/1165455308.db2.gz DRHRZVYHGVZHKW-OLZOCXBDSA-N 1 3 304.394 0.505 20 0 DCADHO [NH3+]Cc1ccccc1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001580343862 1165577632 /nfs/dbraw/zinc/57/76/32/1165577632.db2.gz LHWLVZKAFXEVFW-LSDHHAIUSA-N 1 3 304.394 0.106 20 0 DCADHO O=C(Cc1cccc2c1CC[NH2+]C2)NCCN1CC[C@@H](O)C1 ZINC001580574539 1165642625 /nfs/dbraw/zinc/64/26/25/1165642625.db2.gz RJRDOPTZVCPOSR-OAHLLOKOSA-N 1 3 303.406 0.058 20 0 DCADHO O=C1CC[C@@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)CC[C@H]2N1 ZINC001580846238 1165735315 /nfs/dbraw/zinc/73/53/15/1165735315.db2.gz UXVXKCPNFRXQPZ-UKRRQHHQSA-N 1 3 318.421 0.790 20 0 DCADHO OCCCN1CCC[C@@H](NCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001580882757 1165751320 /nfs/dbraw/zinc/75/13/20/1165751320.db2.gz CCOBVJVVFLMZSF-HUUCEWRRSA-N 1 3 322.457 0.139 20 0 DCADHO c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001593548349 1167924449 /nfs/dbraw/zinc/92/44/49/1167924449.db2.gz YBVWZGXMUWCJMX-OAHLLOKOSA-N 1 3 313.409 0.346 20 0 DCADHO c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001593548349 1167924458 /nfs/dbraw/zinc/92/44/58/1167924458.db2.gz YBVWZGXMUWCJMX-OAHLLOKOSA-N 1 3 313.409 0.346 20 0 DCADHO COC[C@H](CCC[NH3+])[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC001609317180 1170932873 /nfs/dbraw/zinc/93/28/73/1170932873.db2.gz CFBYNSUPSGXYAC-ZDUSSCGKSA-N 1 3 320.397 0.589 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCc2ccnn2C)C1 ZINC001649440426 1171703363 /nfs/dbraw/zinc/70/33/63/1171703363.db2.gz PBYSLRJBTOKXMR-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO N[C@@H](CC(F)F)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001646120769 1172262116 /nfs/dbraw/zinc/26/21/16/1172262116.db2.gz XPTVCOKLRTUBHC-CSMHCCOUSA-N 1 3 303.275 0.955 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001646747670 1172508333 /nfs/dbraw/zinc/50/83/33/1172508333.db2.gz JUIKMARZLIWVJV-OTRWWLKZSA-N 1 3 319.449 0.982 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC2(CCC[C@@H]2C[NH3+])CC1 ZINC001646836987 1172557793 /nfs/dbraw/zinc/55/77/93/1172557793.db2.gz HYRUIVNPLMEYAW-CYBMUJFWSA-N 1 3 305.426 0.860 20 0 DCADHO O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001646835866 1172558132 /nfs/dbraw/zinc/55/81/32/1172558132.db2.gz GKZOYQJCFOSRSV-DLBZAZTESA-N 1 3 315.417 0.961 20 0 DCADHO C[NH2+]CC1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001647240977 1172758488 /nfs/dbraw/zinc/75/84/88/1172758488.db2.gz KTHUPIYFDAZTGE-GFCCVEGCSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN1CCCC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC001647246758 1172762611 /nfs/dbraw/zinc/76/26/11/1172762611.db2.gz OCWJCUOZJRQVPK-CABCVRRESA-N 1 3 324.469 0.829 20 0 DCADHO [NH3+]CC[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001647576433 1172979735 /nfs/dbraw/zinc/97/97/35/1172979735.db2.gz RIIWIMKVDKSEKR-HIFRSBDPSA-N 1 3 310.442 0.620 20 0 DCADHO CON(C)C(=O)CCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001648591192 1173076927 /nfs/dbraw/zinc/07/69/27/1173076927.db2.gz JLLZESMMNRCEOC-UHFFFAOYSA-N 1 3 313.442 0.709 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(CC)CC2)C1 ZINC001649348880 1173122395 /nfs/dbraw/zinc/12/23/95/1173122395.db2.gz SZJKYIJAJIJCES-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(N2CCN(CC)CC2)C1 ZINC001649348880 1173122397 /nfs/dbraw/zinc/12/23/97/1173122397.db2.gz SZJKYIJAJIJCES-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO O=C(N[C@@H]1COC2(CNC2)C1)c1cccn1C1CC[NH2+]CC1 ZINC001650367654 1173595623 /nfs/dbraw/zinc/59/56/23/1173595623.db2.gz VVXZCLDDIALKKG-LBPRGKRZSA-N 1 3 304.394 0.273 20 0 DCADHO N[C@H](CC(=O)N1NC(=O)CC12CC[NH2+]CC2)c1ccccc1 ZINC001650395067 1173615691 /nfs/dbraw/zinc/61/56/91/1173615691.db2.gz HRVQKYAXQCVXOV-CYBMUJFWSA-N 1 3 302.378 0.462 20 0 DCADHO O=S(=O)(CCNCc1ccnn1-c1cc[nH+]cc1)NC1CC1 ZINC001660201109 1173958748 /nfs/dbraw/zinc/95/87/48/1173958748.db2.gz WRUJENMVFVNULJ-UHFFFAOYSA-N 1 3 321.406 0.439 20 0 DCADHO O=S(=O)(CC[NH2+]Cc1ccnn1-c1ccncc1)NC1CC1 ZINC001660201109 1173958751 /nfs/dbraw/zinc/95/87/51/1173958751.db2.gz WRUJENMVFVNULJ-UHFFFAOYSA-N 1 3 321.406 0.439 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001661473552 1174129076 /nfs/dbraw/zinc/12/90/76/1174129076.db2.gz LJJOFAGTPPTSIH-JHJVBQTASA-N 1 3 319.396 0.847 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1)N(C)C ZINC001661653141 1174142792 /nfs/dbraw/zinc/14/27/92/1174142792.db2.gz IBPQTDXBKUUUPY-RNJOBUHISA-N 1 3 319.396 0.988 20 0 DCADHO CN(CC[NH2+]C[C@H](O)Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001663855848 1174362420 /nfs/dbraw/zinc/36/24/20/1174362420.db2.gz JMTWMJMKPTVVDJ-IAGOWNOFSA-N 1 3 319.449 0.732 20 0 DCADHO O=C(NC/C=C\CNCc1cccnc1)C12CC[NH+](CC1)C2 ZINC001669139707 1174899374 /nfs/dbraw/zinc/89/93/74/1174899374.db2.gz RUEVTFIOOYETTR-UPHRSURJSA-N 1 3 300.406 0.939 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001670042124 1174975353 /nfs/dbraw/zinc/97/53/53/1174975353.db2.gz SQFPFDPFCCCLSC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCC[NH2+]C[C@H](O)CC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001670261978 1174996932 /nfs/dbraw/zinc/99/69/32/1174996932.db2.gz YSFFDJDWKFLPOW-LLVKDONJSA-N 1 3 322.331 0.704 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CCCF)C1)N(C)C ZINC001673675944 1175222287 /nfs/dbraw/zinc/22/22/87/1175222287.db2.gz LQLBOCDBGQYIPL-HIFRSBDPSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC(N)=O ZINC001675985744 1175409588 /nfs/dbraw/zinc/40/95/88/1175409588.db2.gz GPKAIHFXYLACJC-ZIAGYGMSSA-N 1 3 312.458 0.609 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCOCCO)CC1 ZINC001676037301 1175415444 /nfs/dbraw/zinc/41/54/44/1175415444.db2.gz HRMKQKZQKDCJQK-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCOCCO)CC1 ZINC001676037301 1175415445 /nfs/dbraw/zinc/41/54/45/1175415445.db2.gz HRMKQKZQKDCJQK-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001676694970 1175478092 /nfs/dbraw/zinc/47/80/92/1175478092.db2.gz VDYDWGRGCKDNQS-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)N(C)C ZINC001686667019 1176187398 /nfs/dbraw/zinc/18/73/98/1176187398.db2.gz RFGZGNVQHCKBMU-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)N(C)C ZINC001686667019 1176187402 /nfs/dbraw/zinc/18/74/02/1176187402.db2.gz RFGZGNVQHCKBMU-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001689339688 1176833931 /nfs/dbraw/zinc/83/39/31/1176833931.db2.gz UZPPYKFDBRVROF-AGKLADILSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001689339688 1176833938 /nfs/dbraw/zinc/83/39/38/1176833938.db2.gz UZPPYKFDBRVROF-AGKLADILSA-N 1 3 310.442 0.067 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690689193 1177303270 /nfs/dbraw/zinc/30/32/70/1177303270.db2.gz UUIVWMVZUDXDSD-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H](C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1)N(C)C1CC1 ZINC000134290304 1177532017 /nfs/dbraw/zinc/53/20/17/1177532017.db2.gz WSRNXOGSUDNFIO-AWEZNQCLSA-N 1 3 318.469 0.801 20 0 DCADHO C[C@@H](CNCc1cnc(N2CCN(C)CC2)nc1)[N@H+](C)C1CC1 ZINC000134290304 1177532021 /nfs/dbraw/zinc/53/20/21/1177532021.db2.gz WSRNXOGSUDNFIO-AWEZNQCLSA-N 1 3 318.469 0.801 20 0 DCADHO C[C@@H](CNCc1cnc(N2CCN(C)CC2)nc1)[N@@H+](C)C1CC1 ZINC000134290304 1177532027 /nfs/dbraw/zinc/53/20/27/1177532027.db2.gz WSRNXOGSUDNFIO-AWEZNQCLSA-N 1 3 318.469 0.801 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001699055948 1177807925 /nfs/dbraw/zinc/80/79/25/1177807925.db2.gz BRWZHQZHNBNJBW-HUUCEWRRSA-N 1 3 322.457 0.493 20 0 DCADHO Cn1nncc1C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001700091025 1178475218 /nfs/dbraw/zinc/47/52/18/1178475218.db2.gz ZMODBIJAADPEFH-CQSZACIVSA-N 1 3 320.441 0.239 20 0 DCADHO C[NH+](C)CCCCC(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001700947519 1178824473 /nfs/dbraw/zinc/82/44/73/1178824473.db2.gz STJACNGNUARGTN-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001703626559 1179619812 /nfs/dbraw/zinc/61/98/12/1179619812.db2.gz BPLRRQRXZAKXDH-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001703626559 1179619818 /nfs/dbraw/zinc/61/98/18/1179619818.db2.gz BPLRRQRXZAKXDH-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CCCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCCN1C ZINC001703652160 1179633065 /nfs/dbraw/zinc/63/30/65/1179633065.db2.gz IDJIORYXGRVTLQ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCNC1=O ZINC001713013351 1180624785 /nfs/dbraw/zinc/62/47/85/1180624785.db2.gz UJKBJQBQRPBKCD-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H](C(N)=O)N(CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001713021610 1180631730 /nfs/dbraw/zinc/63/17/30/1180631730.db2.gz WIXNEDDDMVAMKM-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H](C)C(=O)NC ZINC001713024988 1180634411 /nfs/dbraw/zinc/63/44/11/1180634411.db2.gz OPHZZLKETJQTLE-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)C(=O)NC ZINC001713024988 1180634416 /nfs/dbraw/zinc/63/44/16/1180634416.db2.gz OPHZZLKETJQTLE-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713240771 1180732714 /nfs/dbraw/zinc/73/27/14/1180732714.db2.gz PRCZPRQCBPGGLQ-KBPBESRZSA-N 1 3 308.426 0.941 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713354801 1180783023 /nfs/dbraw/zinc/78/30/23/1180783023.db2.gz CJPQWXSCTDQXHE-CYBMUJFWSA-N 1 3 316.409 0.367 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001713590655 1180948885 /nfs/dbraw/zinc/94/88/85/1180948885.db2.gz LQXYESYUHWIBAY-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001713590655 1180948889 /nfs/dbraw/zinc/94/88/89/1180948889.db2.gz LQXYESYUHWIBAY-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCn1cccn1 ZINC001713666829 1181009069 /nfs/dbraw/zinc/00/90/69/1181009069.db2.gz FERCNHCMAVKNJH-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001714671131 1181470296 /nfs/dbraw/zinc/47/02/96/1181470296.db2.gz RREVUWQOBKLIBY-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001714779633 1181541484 /nfs/dbraw/zinc/54/14/84/1181541484.db2.gz FSOHURINTWUORP-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001714779633 1181541487 /nfs/dbraw/zinc/54/14/87/1181541487.db2.gz FSOHURINTWUORP-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCCC[NH+]1CCCC1 ZINC001714806943 1181556370 /nfs/dbraw/zinc/55/63/70/1181556370.db2.gz ZYSVQKKMOGXHGW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715589551 1181879258 /nfs/dbraw/zinc/87/92/58/1181879258.db2.gz ZGHAIEKAYJYGSF-DZGCQCFKSA-N 1 3 315.433 0.677 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001715589551 1181879262 /nfs/dbraw/zinc/87/92/62/1181879262.db2.gz ZGHAIEKAYJYGSF-DZGCQCFKSA-N 1 3 315.433 0.677 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715589558 1181879556 /nfs/dbraw/zinc/87/95/56/1181879556.db2.gz ZGHAIEKAYJYGSF-UKRRQHHQSA-N 1 3 315.433 0.677 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001715589558 1181879562 /nfs/dbraw/zinc/87/95/62/1181879562.db2.gz ZGHAIEKAYJYGSF-UKRRQHHQSA-N 1 3 315.433 0.677 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715733600 1181966947 /nfs/dbraw/zinc/96/69/47/1181966947.db2.gz GADOUKZVBBIBAZ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715733600 1181966951 /nfs/dbraw/zinc/96/69/51/1181966951.db2.gz GADOUKZVBBIBAZ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001716304161 1182317685 /nfs/dbraw/zinc/31/76/85/1182317685.db2.gz ACYJKSSNAKEDJQ-WJDZFGBRSA-N 1 3 310.442 0.065 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001716351911 1182351457 /nfs/dbraw/zinc/35/14/57/1182351457.db2.gz IDFCFCDTXDENAE-NNTXTVRGSA-N 1 3 310.442 0.244 20 0 DCADHO CN1CCC[C@H](NC/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001716367126 1182360374 /nfs/dbraw/zinc/36/03/74/1182360374.db2.gz HZQCRBDWGMGPAV-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@H](NC/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001716367126 1182360379 /nfs/dbraw/zinc/36/03/79/1182360379.db2.gz HZQCRBDWGMGPAV-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001716549115 1182437543 /nfs/dbraw/zinc/43/75/43/1182437543.db2.gz OKMSEBXMTGKTAR-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001731493312 1185358820 /nfs/dbraw/zinc/35/88/20/1185358820.db2.gz QDJGSXXNKUTEML-ZQDZILKHSA-N 1 3 313.442 0.105 20 0 DCADHO C[NH+]1CCC(C(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC1 ZINC001731754106 1185469462 /nfs/dbraw/zinc/46/94/62/1185469462.db2.gz JPXYCGTZAXIVBQ-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC(N)=O)C1CCC1 ZINC001731751853 1185469791 /nfs/dbraw/zinc/46/97/91/1185469791.db2.gz ZUFOONSHTRWLHI-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CC(=O)NCCC[C@@H]1CCC[N@H+]1CC(N)=O)C1CCC1 ZINC001731751853 1185469795 /nfs/dbraw/zinc/46/97/95/1185469795.db2.gz ZUFOONSHTRWLHI-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001731941621 1185593509 /nfs/dbraw/zinc/59/35/09/1185593509.db2.gz VWVBJIXKRXUNHS-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)CN1CCCC1 ZINC001733143261 1186160315 /nfs/dbraw/zinc/16/03/15/1186160315.db2.gz GUFQOQPQWHGSKR-NVXWUHKLSA-N 1 3 309.454 0.947 20 0 DCADHO CC(C)(C(=O)N1CCO[C@H](C[NH2+]CCO)C1)N1CCCCC1 ZINC001733735675 1186421539 /nfs/dbraw/zinc/42/15/39/1186421539.db2.gz RUJNJXDKXHRIRJ-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCOCCO)CC1(C)C ZINC001733876475 1186483283 /nfs/dbraw/zinc/48/32/83/1186483283.db2.gz USXWKOQHRRPZEN-CQSZACIVSA-N 1 3 315.458 0.164 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001736749040 1187084259 /nfs/dbraw/zinc/08/42/59/1187084259.db2.gz MSUKBVJKFINFGK-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001736749040 1187084263 /nfs/dbraw/zinc/08/42/63/1187084263.db2.gz MSUKBVJKFINFGK-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001738517897 1187581553 /nfs/dbraw/zinc/58/15/53/1187581553.db2.gz BGZIBDZYCDBJQV-FHFZEBMASA-N 1 3 324.469 0.457 20 0 DCADHO CCN(CC)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001738517897 1187581558 /nfs/dbraw/zinc/58/15/58/1187581558.db2.gz BGZIBDZYCDBJQV-FHFZEBMASA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001738528280 1187583761 /nfs/dbraw/zinc/58/37/61/1187583761.db2.gz VURLQXAHSSNJAB-AATRIKPKSA-N 1 3 324.469 0.457 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CC[C@H]2CCCO2)C1 ZINC001752954147 1188466891 /nfs/dbraw/zinc/46/68/91/1188466891.db2.gz SNRQZTPFYSPGCH-DZGCQCFKSA-N 1 3 306.410 0.959 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCc1cnn(C)c1 ZINC001754018218 1188712389 /nfs/dbraw/zinc/71/23/89/1188712389.db2.gz PSWWMZVABITQST-LBPRGKRZSA-N 1 3 318.425 0.721 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001754163785 1188765516 /nfs/dbraw/zinc/76/55/16/1188765516.db2.gz NYJPJZUUKKGSLA-SCOBNMCVSA-N 1 3 322.453 0.257 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CC[C@H]1CCCCO1)C(=O)Cc1c[nH]cn1 ZINC001755789320 1189214533 /nfs/dbraw/zinc/21/45/33/1189214533.db2.gz LCYZHVWRJOSTJN-LSDHHAIUSA-N 1 3 324.425 0.320 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001758031283 1189688314 /nfs/dbraw/zinc/68/83/14/1189688314.db2.gz IRWYZJAFZYRVRF-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001758031283 1189688317 /nfs/dbraw/zinc/68/83/17/1189688317.db2.gz IRWYZJAFZYRVRF-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)N[C@@H]3CCC[NH2+]CC3)ccc2NC1=O ZINC001772226637 1190635820 /nfs/dbraw/zinc/63/58/20/1190635820.db2.gz LAUHOKFQMREKRK-ZIAGYGMSSA-N 1 3 316.405 0.771 20 0 DCADHO C[C@H]1NCCn2c(C(=O)NCCN(C)CCC[NH+](C)C)ccc21 ZINC001772252066 1190644241 /nfs/dbraw/zinc/64/42/41/1190644241.db2.gz YJBQCWKIZHYQIA-CQSZACIVSA-N 1 3 321.469 0.766 20 0 DCADHO CC(C)C[C@@H]([NH3+])CC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001772261763 1190646941 /nfs/dbraw/zinc/64/69/41/1190646941.db2.gz QMPMDTBXGAARNQ-OAHLLOKOSA-N 1 3 310.486 0.988 20 0 DCADHO [NH3+][C@]1(CO)CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001772281689 1190652642 /nfs/dbraw/zinc/65/26/42/1190652642.db2.gz WVEJZQFDVRINBP-MRXNPFEDSA-N 1 3 305.378 0.094 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001772430922 1190680457 /nfs/dbraw/zinc/68/04/57/1190680457.db2.gz DENLSKDEIPUOPL-BZUAXINKSA-N 1 3 324.469 0.711 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001772430922 1190680458 /nfs/dbraw/zinc/68/04/58/1190680458.db2.gz DENLSKDEIPUOPL-BZUAXINKSA-N 1 3 324.469 0.711 20 0 DCADHO Nc1cc[nH+]c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745699 720607417 /nfs/dbraw/zinc/60/74/17/720607417.db2.gz VOLOMGGNGNSGIR-ZIAGYGMSSA-N 1 3 312.377 0.796 20 0 DCADHO CN(CCN1CC[NH2+]CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC001578471981 1165027887 /nfs/dbraw/zinc/02/78/87/1165027887.db2.gz XJIJCVCSQCDJCM-KGLIPLIRSA-N 1 3 301.406 0.457 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N1CCCCC1 ZINC001127643596 751601873 /nfs/dbraw/zinc/60/18/73/751601873.db2.gz CFGGIVOBGSCPEU-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N1CCCCC1 ZINC001127643596 751601877 /nfs/dbraw/zinc/60/18/77/751601877.db2.gz CFGGIVOBGSCPEU-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001127690193 751637818 /nfs/dbraw/zinc/63/78/18/751637818.db2.gz GMUXRACBTLVOCP-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CCCC2)CC[N@H+]1C ZINC001127690193 751637821 /nfs/dbraw/zinc/63/78/21/751637821.db2.gz GMUXRACBTLVOCP-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098524620 746959011 /nfs/dbraw/zinc/95/90/11/746959011.db2.gz NBTLHTMANKUGLE-UHFFFAOYSA-N 1 3 303.422 0.583 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098524620 746959014 /nfs/dbraw/zinc/95/90/14/746959014.db2.gz NBTLHTMANKUGLE-UHFFFAOYSA-N 1 3 303.422 0.583 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001167480421 747276453 /nfs/dbraw/zinc/27/64/53/747276453.db2.gz DYZURDFFWGQITR-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001167635201 747439656 /nfs/dbraw/zinc/43/96/56/747439656.db2.gz LGENULWUGDZTAU-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO COCCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747798 747504831 /nfs/dbraw/zinc/50/48/31/747504831.db2.gz RKGRBBMZMDZAHG-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100674576 747589828 /nfs/dbraw/zinc/58/98/28/747589828.db2.gz ZCMJUOWVTSVIIJ-NFOMZHRRSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001087392048 747911473 /nfs/dbraw/zinc/91/14/73/747911473.db2.gz BJGAXVRWTVCVGS-XZDPQHSOSA-N 1 3 318.421 0.503 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001087392048 747911479 /nfs/dbraw/zinc/91/14/79/747911479.db2.gz BJGAXVRWTVCVGS-XZDPQHSOSA-N 1 3 318.421 0.503 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105320967 748130685 /nfs/dbraw/zinc/13/06/85/748130685.db2.gz RILSVGPZJDGHOE-OAHLLOKOSA-N 1 3 322.457 0.747 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112529699 748318032 /nfs/dbraw/zinc/31/80/32/748318032.db2.gz LGCDPTALIWGPGY-KEYYUXOJSA-N 1 3 322.453 0.174 20 0 DCADHO CCCN(C)CC(=O)N1CC(n2cc(C[NH2+]CC(C)C)nn2)C1 ZINC001105365394 748527813 /nfs/dbraw/zinc/52/78/13/748527813.db2.gz PPPRGQSBGNRLFZ-UHFFFAOYSA-N 1 3 322.457 0.749 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1Cc1cnn(C)c1 ZINC001087519644 748916454 /nfs/dbraw/zinc/91/64/54/748916454.db2.gz WXUHJHRQFJXLLN-ARFHVFGLSA-N 1 3 319.453 0.983 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1Cc1cnn(C)c1 ZINC001087519644 748916458 /nfs/dbraw/zinc/91/64/58/748916458.db2.gz WXUHJHRQFJXLLN-ARFHVFGLSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150598 749259646 /nfs/dbraw/zinc/25/96/46/749259646.db2.gz MAEKSLOFQOVCDK-ZACQAIPSSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150598 749259650 /nfs/dbraw/zinc/25/96/50/749259650.db2.gz MAEKSLOFQOVCDK-ZACQAIPSSA-N 1 3 323.481 0.879 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112181937 749298635 /nfs/dbraw/zinc/29/86/35/749298635.db2.gz FUPWEOOPDSXDIM-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088431423 749439839 /nfs/dbraw/zinc/43/98/39/749439839.db2.gz UOCSIFJQWOXEGU-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465590 749922044 /nfs/dbraw/zinc/92/20/44/749922044.db2.gz KAZVKTDGNRZRNV-XHSDSOJGSA-N 1 3 307.438 0.290 20 0 DCADHO CS(=O)(=O)N1CCC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168359939 749979755 /nfs/dbraw/zinc/97/97/55/749979755.db2.gz INTNXMUXKGBHFL-HNNXBMFYSA-N 1 3 315.483 0.874 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C)N(C)C ZINC001077516317 750918335 /nfs/dbraw/zinc/91/83/35/750918335.db2.gz KQYCAXDVZPXOCG-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1)N(C)C ZINC001106312581 751106708 /nfs/dbraw/zinc/10/67/08/751106708.db2.gz JIJJLJYLVWVCTE-APIJFGDWSA-N 1 3 315.458 0.018 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357489 751196536 /nfs/dbraw/zinc/19/65/36/751196536.db2.gz ZFRUSEBPBORQQV-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357489 751196537 /nfs/dbraw/zinc/19/65/37/751196537.db2.gz ZFRUSEBPBORQQV-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCCO ZINC001106668138 751222243 /nfs/dbraw/zinc/22/22/43/751222243.db2.gz DPLLTYAFRAWQHG-HUUCEWRRSA-N 1 3 311.470 0.785 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001168595244 752670341 /nfs/dbraw/zinc/67/03/41/752670341.db2.gz HFORKYLOSOLDQX-UHFFFAOYSA-N 1 3 324.473 0.923 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044755646 752860245 /nfs/dbraw/zinc/86/02/45/752860245.db2.gz NNOCMCHODAELCV-CHWSQXEVSA-N 1 3 317.397 0.213 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCN(C)C2=O)CCC1 ZINC001045067112 753030551 /nfs/dbraw/zinc/03/05/51/753030551.db2.gz LETDHOITOGCERL-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001045069030 753031661 /nfs/dbraw/zinc/03/16/61/753031661.db2.gz SFLIQFULOVMITD-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]1CNCc1cnnn1C)[NH+](C)C ZINC001045187391 753080898 /nfs/dbraw/zinc/08/08/98/753080898.db2.gz LXRQXEQHRGWRRZ-DZGCQCFKSA-N 1 3 322.457 0.482 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001078200434 753118239 /nfs/dbraw/zinc/11/82/39/753118239.db2.gz YDPLYMZYCNMTST-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046063898 753456833 /nfs/dbraw/zinc/45/68/33/753456833.db2.gz BFTFSTAZHJABSS-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046063898 753456839 /nfs/dbraw/zinc/45/68/39/753456839.db2.gz BFTFSTAZHJABSS-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833851 753963529 /nfs/dbraw/zinc/96/35/29/753963529.db2.gz YWKJGGSYSIDKSI-YUELXQCFSA-N 1 3 315.433 0.628 20 0 DCADHO CCCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083850912 754136889 /nfs/dbraw/zinc/13/68/89/754136889.db2.gz BSQWSWAPPRKTSZ-CABCVRRESA-N 1 3 323.441 0.020 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)CC ZINC001128774360 754267817 /nfs/dbraw/zinc/26/78/17/754267817.db2.gz QCASXJUVKXKPDK-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)CC ZINC001128774360 754267822 /nfs/dbraw/zinc/26/78/22/754267822.db2.gz QCASXJUVKXKPDK-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]([NH2+]Cc1cnns1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066798 754599135 /nfs/dbraw/zinc/59/91/35/754599135.db2.gz PZXYHVLFBHKTBV-STQMWFEESA-N 1 3 323.466 0.961 20 0 DCADHO CCn1nnc(C)c1CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494738 755234205 /nfs/dbraw/zinc/23/42/05/755234205.db2.gz MNWSIWOLEBEBKP-ZOWXZIJZSA-N 1 3 307.398 0.319 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049506607 755289326 /nfs/dbraw/zinc/28/93/26/755289326.db2.gz ZHAFYQWAUBPFTG-BZUAXINKSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049506607 755289329 /nfs/dbraw/zinc/28/93/29/755289329.db2.gz ZHAFYQWAUBPFTG-BZUAXINKSA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2CCO ZINC001049506607 755289335 /nfs/dbraw/zinc/28/93/35/755289335.db2.gz ZHAFYQWAUBPFTG-BZUAXINKSA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2CCO ZINC001049506607 755289338 /nfs/dbraw/zinc/28/93/38/755289338.db2.gz ZHAFYQWAUBPFTG-BZUAXINKSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO)N1CCCC1 ZINC001049627800 755339721 /nfs/dbraw/zinc/33/97/21/755339721.db2.gz BVABKXVQVKHLRD-GJZGRUSLSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO)N1CCCC1 ZINC001049627800 755339725 /nfs/dbraw/zinc/33/97/25/755339725.db2.gz BVABKXVQVKHLRD-GJZGRUSLSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2CCO)[NH+]1CCCC1 ZINC001049627800 755339732 /nfs/dbraw/zinc/33/97/32/755339732.db2.gz BVABKXVQVKHLRD-GJZGRUSLSA-N 1 3 309.454 0.918 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001168764279 755623708 /nfs/dbraw/zinc/62/37/08/755623708.db2.gz XEUWXVCURDLEMC-ZDUSSCGKSA-N 1 3 308.430 0.203 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205026 756405761 /nfs/dbraw/zinc/40/57/61/756405761.db2.gz IUMQPDGJTKYFRK-XJKSGUPXSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205026 756405764 /nfs/dbraw/zinc/40/57/64/756405764.db2.gz IUMQPDGJTKYFRK-XJKSGUPXSA-N 1 3 306.410 0.648 20 0 DCADHO COCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205775 756405776 /nfs/dbraw/zinc/40/57/76/756405776.db2.gz XDNOGUTZYLOVSV-MRXNPFEDSA-N 1 3 306.410 0.913 20 0 DCADHO COCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205775 756405778 /nfs/dbraw/zinc/40/57/78/756405778.db2.gz XDNOGUTZYLOVSV-MRXNPFEDSA-N 1 3 306.410 0.913 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCCF ZINC001054656305 756601080 /nfs/dbraw/zinc/60/10/80/756601080.db2.gz OFFUMSMBHQFSOK-TZMCWYRMSA-N 1 3 311.405 0.464 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054736145 756621236 /nfs/dbraw/zinc/62/12/36/756621236.db2.gz JBTXZCYOZDIGBH-BBRMVZONSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082740698 757251876 /nfs/dbraw/zinc/25/18/76/757251876.db2.gz CRGLKHCQJFCOFB-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CO[C@@H](C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223227 762635630 /nfs/dbraw/zinc/63/56/30/762635630.db2.gz BBLWSAYGFZXFQH-YJNKXOJESA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)OCCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985266 759072339 /nfs/dbraw/zinc/07/23/39/759072339.db2.gz AIMLFKKHEAFAMN-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001099986329 759111164 /nfs/dbraw/zinc/11/11/64/759111164.db2.gz JADBYLSPUNYTHI-HOTGVXAUSA-N 1 3 305.422 0.690 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052031746 759130418 /nfs/dbraw/zinc/13/04/18/759130418.db2.gz VQKFDDKEPBNTHS-IXDOHACOSA-N 1 3 322.497 0.955 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052031746 759130421 /nfs/dbraw/zinc/13/04/21/759130421.db2.gz VQKFDDKEPBNTHS-IXDOHACOSA-N 1 3 322.497 0.955 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052118621 759184096 /nfs/dbraw/zinc/18/40/96/759184096.db2.gz SZVMSIYMEYBHIR-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052118621 759184100 /nfs/dbraw/zinc/18/41/00/759184100.db2.gz SZVMSIYMEYBHIR-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732150 759245902 /nfs/dbraw/zinc/24/59/02/759245902.db2.gz SVAMSYSZHKIJHC-NDUQDZPOSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732150 759245908 /nfs/dbraw/zinc/24/59/08/759245908.db2.gz SVAMSYSZHKIJHC-NDUQDZPOSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@H]1CC[N@@H+]1CC1CC1)C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001085732150 759245914 /nfs/dbraw/zinc/24/59/14/759245914.db2.gz SVAMSYSZHKIJHC-NDUQDZPOSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@H]1CC[N@H+]1CC1CC1)C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001085732150 759245919 /nfs/dbraw/zinc/24/59/19/759245919.db2.gz SVAMSYSZHKIJHC-NDUQDZPOSA-N 1 3 319.449 0.792 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC001147822842 767852281 /nfs/dbraw/zinc/85/22/81/767852281.db2.gz BUFJHAQYCVPBRG-CABCVRRESA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086151202 759768247 /nfs/dbraw/zinc/76/82/47/759768247.db2.gz RBPITDAHCGGDJP-LQCZDEPNSA-N 1 3 307.438 0.742 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999620 767893719 /nfs/dbraw/zinc/89/37/19/767893719.db2.gz AMJAYBILNLBEEX-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)c1 ZINC001086278265 759944458 /nfs/dbraw/zinc/94/44/58/759944458.db2.gz ONSBLSNMHJOIIH-FZNQNYSPSA-N 1 3 305.422 0.839 20 0 DCADHO COCOc1cnc(-n2nnnc2C[NH3+])cc1/C=C/N(C)C ZINC001168920956 760512534 /nfs/dbraw/zinc/51/25/34/760512534.db2.gz MYZCRXPYOVCZPC-SNAWJCMRSA-N 1 3 305.342 0.031 20 0 DCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001169139871 760593599 /nfs/dbraw/zinc/59/35/99/760593599.db2.gz OJEHSZPNTOLQBE-HWMZRRJGSA-N 1 3 320.437 0.034 20 0 DCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001169139871 760593604 /nfs/dbraw/zinc/59/36/04/760593604.db2.gz OJEHSZPNTOLQBE-HWMZRRJGSA-N 1 3 320.437 0.034 20 0 DCADHO Cc1ncc(CNCCCNC(=O)COC2CC[NH+](C)CC2)o1 ZINC001169530606 760715755 /nfs/dbraw/zinc/71/57/55/760715755.db2.gz FNLKIGFXGMMMFL-UHFFFAOYSA-N 1 3 324.425 0.690 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704960 761003561 /nfs/dbraw/zinc/00/35/61/761003561.db2.gz WBYZTKYXALKJIQ-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc(CO)cc2)CCC1 ZINC001129358575 761007472 /nfs/dbraw/zinc/00/74/72/761007472.db2.gz UXTBZVZLWZQXEP-UHFFFAOYSA-N 1 3 305.422 0.869 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001148652191 768024243 /nfs/dbraw/zinc/02/42/43/768024243.db2.gz YSISSVGNYPZYIK-UHFFFAOYSA-N 1 3 320.441 0.154 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001148652191 768024245 /nfs/dbraw/zinc/02/42/45/768024245.db2.gz YSISSVGNYPZYIK-UHFFFAOYSA-N 1 3 320.441 0.154 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cncn1C ZINC001070655228 761378092 /nfs/dbraw/zinc/37/80/92/761378092.db2.gz AQZTZJRWQQDCLO-ZIAGYGMSSA-N 1 3 319.453 0.808 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC2(CCN(CCO)CC2)O1 ZINC001111548498 761381106 /nfs/dbraw/zinc/38/11/06/761381106.db2.gz GDYUYEBAKUVMNV-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001070865296 761478045 /nfs/dbraw/zinc/47/80/45/761478045.db2.gz PNQCYAJBRJNZBF-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCC(C)(C)CN2CCO)CC1 ZINC001099193552 762830442 /nfs/dbraw/zinc/83/04/42/762830442.db2.gz DRRSIVWYXKFZKJ-CQSZACIVSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001129410673 762931394 /nfs/dbraw/zinc/93/13/94/762931394.db2.gz QSHZLJYIXQIBNU-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001129410673 762931397 /nfs/dbraw/zinc/93/13/97/762931397.db2.gz QSHZLJYIXQIBNU-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO COc1ncc(CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)c(C)n1 ZINC001129436986 762943713 /nfs/dbraw/zinc/94/37/13/762943713.db2.gz UKXXFIBEGFYNRB-AWEZNQCLSA-N 1 3 321.425 0.340 20 0 DCADHO CN(CC(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O)C1CCC1 ZINC001129532181 762954919 /nfs/dbraw/zinc/95/49/19/762954919.db2.gz UCNIZUYMIKWNFI-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC1CCCC1 ZINC001129535681 762961107 /nfs/dbraw/zinc/96/11/07/762961107.db2.gz YBFPIYIDRRDMLF-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001129855427 763024129 /nfs/dbraw/zinc/02/41/29/763024129.db2.gz CZKWEKZMLYYBNM-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001129855427 763024132 /nfs/dbraw/zinc/02/41/32/763024132.db2.gz CZKWEKZMLYYBNM-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NCC(C)(C)C)[NH+](C)C ZINC001129949576 763055257 /nfs/dbraw/zinc/05/52/57/763055257.db2.gz GBSIZIUKEJUOMM-AWEZNQCLSA-N 1 3 314.474 0.441 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(C)C)N(C)C ZINC001130201191 763184705 /nfs/dbraw/zinc/18/47/05/763184705.db2.gz XPDANGNKJKOLTA-UONOGXRCSA-N 1 3 303.447 0.066 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CC2CC(F)(F)C2)C[C@H]1O ZINC001099986788 763188555 /nfs/dbraw/zinc/18/85/55/763188555.db2.gz PLRFNSAQCYOACG-CHWSQXEVSA-N 1 3 319.396 0.535 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O)CC(C)(C)C ZINC001100013894 763218397 /nfs/dbraw/zinc/21/83/97/763218397.db2.gz VBCWTOORRIGACS-GJZGRUSLSA-N 1 3 311.470 0.926 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O)CC(C)(C)C ZINC001100013894 763218407 /nfs/dbraw/zinc/21/84/07/763218407.db2.gz VBCWTOORRIGACS-GJZGRUSLSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)=CCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073558 763282540 /nfs/dbraw/zinc/28/25/40/763282540.db2.gz DVXIYHNMRAWRIM-CABCVRRESA-N 1 3 313.442 0.082 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001130427625 763298639 /nfs/dbraw/zinc/29/86/39/763298639.db2.gz PCCOGHNSPLTXTM-UHFFFAOYSA-N 1 3 315.462 0.130 20 0 DCADHO COc1ccc(CNCCNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001130805795 763500730 /nfs/dbraw/zinc/50/07/30/763500730.db2.gz NFQGZUOUEJHGEF-UHFFFAOYSA-N 1 3 318.421 0.924 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100460076 763589903 /nfs/dbraw/zinc/58/99/03/763589903.db2.gz OGEAKWCCRYEKSE-BPCQOVAHSA-N 1 3 310.442 0.090 20 0 DCADHO CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868285 768151436 /nfs/dbraw/zinc/15/14/36/768151436.db2.gz MCUCTIOEXYMXSU-KFHUCXJESA-N 1 3 319.449 0.650 20 0 DCADHO CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868285 768151440 /nfs/dbraw/zinc/15/14/40/768151440.db2.gz MCUCTIOEXYMXSU-KFHUCXJESA-N 1 3 319.449 0.650 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678807 763720132 /nfs/dbraw/zinc/72/01/32/763720132.db2.gz XUYAIUQKRPEMGQ-WLYUNCDWSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCn2cccn2)C1 ZINC001100771063 763776746 /nfs/dbraw/zinc/77/67/46/763776746.db2.gz WROXKFJBKRULEX-UHFFFAOYSA-N 1 3 307.442 0.709 20 0 DCADHO C[C@H](Nc1ccc(OCC[NH+]2CCCC2)nn1)[C@@H]1CNCCO1 ZINC001170562367 763828601 /nfs/dbraw/zinc/82/86/01/763828601.db2.gz ITPABEYIIXWLDZ-KBPBESRZSA-N 1 3 321.425 0.740 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@]2(CCN(CCO)C2)O1 ZINC001131681624 763934928 /nfs/dbraw/zinc/93/49/28/763934928.db2.gz FRQDPMFTBHMKNS-ZBFHGGJFSA-N 1 3 313.442 0.012 20 0 DCADHO CC[C@H](NCCNC(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001131798884 764036469 /nfs/dbraw/zinc/03/64/69/764036469.db2.gz BQCLOHYMLIDJEX-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345173 764063659 /nfs/dbraw/zinc/06/36/59/764063659.db2.gz WTTVLXSHFRNHRE-KEYYUXOJSA-N 1 3 324.469 0.372 20 0 DCADHO CN(C(=O)CNCCNC(=O)CC1([NH+](C)C)CCCC1)C1CC1 ZINC001131828674 764063889 /nfs/dbraw/zinc/06/38/89/764063889.db2.gz ZPHQCKOOTAQPJH-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCC[C@@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132287282 764364799 /nfs/dbraw/zinc/36/47/99/764364799.db2.gz VOELJCULGHUMLH-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CN1CCO ZINC001132405872 764442898 /nfs/dbraw/zinc/44/28/98/764442898.db2.gz ARBSGXLQGVQMOO-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2ccnn2C)C1 ZINC001132737307 764614845 /nfs/dbraw/zinc/61/48/45/764614845.db2.gz KHDYKCVJIVYMIK-CQSZACIVSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2ccnn2C)C1 ZINC001132737307 764614849 /nfs/dbraw/zinc/61/48/49/764614849.db2.gz KHDYKCVJIVYMIK-CQSZACIVSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001102523793 764676878 /nfs/dbraw/zinc/67/68/78/764676878.db2.gz JBOCVVLVDDTYRV-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001102523793 764676887 /nfs/dbraw/zinc/67/68/87/764676887.db2.gz JBOCVVLVDDTYRV-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO Cc1cc(CNCCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)on1 ZINC001132858865 764686050 /nfs/dbraw/zinc/68/60/50/764686050.db2.gz MLBJFJUDPGOKHC-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1cc(CNCCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)on1 ZINC001132858865 764686053 /nfs/dbraw/zinc/68/60/53/764686053.db2.gz MLBJFJUDPGOKHC-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001132886439 764707720 /nfs/dbraw/zinc/70/77/20/764707720.db2.gz MSYQMXMTBLUNHX-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001132886439 764707724 /nfs/dbraw/zinc/70/77/24/764707724.db2.gz MSYQMXMTBLUNHX-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132892256 764712088 /nfs/dbraw/zinc/71/20/88/764712088.db2.gz CWNVLIAULSTEKL-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CCCC1 ZINC001132994967 764782841 /nfs/dbraw/zinc/78/28/41/764782841.db2.gz HXCJUWJTHWRSHI-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133040216 764797835 /nfs/dbraw/zinc/79/78/35/764797835.db2.gz GRKIFNIFIHXRKO-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001103550234 765080335 /nfs/dbraw/zinc/08/03/35/765080335.db2.gz GMSQBXYOFFXTDH-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001103550234 765080341 /nfs/dbraw/zinc/08/03/41/765080341.db2.gz GMSQBXYOFFXTDH-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)N1CCCC1)[NH+](CC)CC ZINC001133685618 765092880 /nfs/dbraw/zinc/09/28/80/765092880.db2.gz XSIJBPKDHQPWQK-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001133819386 765149771 /nfs/dbraw/zinc/14/97/71/765149771.db2.gz AQMBXOKNSRHFGF-GDBMZVCRSA-N 1 3 305.422 0.910 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001133831559 765162691 /nfs/dbraw/zinc/16/26/91/765162691.db2.gz QGPCCOFFTJEYEJ-ZDUSSCGKSA-N 1 3 318.421 0.476 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCCO[C@H]2CCOC2)C1 ZINC001133850934 765170276 /nfs/dbraw/zinc/17/02/76/765170276.db2.gz RYKNDWDYBGJIRZ-CABCVRRESA-N 1 3 313.442 0.230 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCC(C)CC2)C1 ZINC001133853288 765172218 /nfs/dbraw/zinc/17/22/18/765172218.db2.gz IAQZBYPGNOOSFE-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCC(C)CC2)C1 ZINC001133853288 765172222 /nfs/dbraw/zinc/17/22/22/765172222.db2.gz IAQZBYPGNOOSFE-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CCCC1 ZINC001133849594 765181793 /nfs/dbraw/zinc/18/17/93/765181793.db2.gz AFIZBFUFGBNFJT-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CCCC1 ZINC001133849594 765181798 /nfs/dbraw/zinc/18/17/98/765181798.db2.gz AFIZBFUFGBNFJT-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cn1 ZINC001133896493 765214745 /nfs/dbraw/zinc/21/47/45/765214745.db2.gz LFHQBHHFJFUZIQ-UHFFFAOYSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(CC)CC)N(C)C ZINC001133968043 765259939 /nfs/dbraw/zinc/25/99/39/765259939.db2.gz LQTKZJLBFZAOHA-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCC1)N(C)C ZINC001133968531 765261476 /nfs/dbraw/zinc/26/14/76/765261476.db2.gz YDRFDOWGQNWJLD-OCCSQVGLSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001115161526 765616091 /nfs/dbraw/zinc/61/60/91/765616091.db2.gz HLOQURFVHMAWTN-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001115161526 765616095 /nfs/dbraw/zinc/61/60/95/765616095.db2.gz HLOQURFVHMAWTN-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@@H](C(=O)NCCNCc1cnn(C)c1)[NH+]1CCCCCC1 ZINC001134750065 765654824 /nfs/dbraw/zinc/65/48/24/765654824.db2.gz KWNMMNTXRGSYBT-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@H](C(=O)NCCNCc1cncn1C)[NH+]1CCCCCC1 ZINC001134750307 765654839 /nfs/dbraw/zinc/65/48/39/765654839.db2.gz UEXDWOGUPVYXLC-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001134772406 765665917 /nfs/dbraw/zinc/66/59/17/765665917.db2.gz CVYPKVXITHMOLW-KGLIPLIRSA-N 1 3 324.473 0.881 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780684 765671858 /nfs/dbraw/zinc/67/18/58/765671858.db2.gz RJLWSEXIMFQHBA-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001115304898 765686251 /nfs/dbraw/zinc/68/62/51/765686251.db2.gz WYMLGMHHSGULIG-LJIGWXMPSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001115304898 765686257 /nfs/dbraw/zinc/68/62/57/765686257.db2.gz WYMLGMHHSGULIG-LJIGWXMPSA-N 1 3 309.454 0.942 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@@H](CC)C(N)=O ZINC001135436848 765932623 /nfs/dbraw/zinc/93/26/23/765932623.db2.gz BYKPSVUOCCWCJE-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C(C)C ZINC001135474322 765939794 /nfs/dbraw/zinc/93/97/94/765939794.db2.gz NEPOAGACHOTPGX-ZIAGYGMSSA-N 1 3 314.474 0.535 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H]1CCN(C)C1=O)C(C)C ZINC001135473934 765942402 /nfs/dbraw/zinc/94/24/02/765942402.db2.gz AVWRIFQFSYVMQU-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135478155 765949855 /nfs/dbraw/zinc/94/98/55/765949855.db2.gz WRJHCPBKFFLDGP-AWEZNQCLSA-N 1 3 300.447 0.195 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H]1CCCNC1=O)C(C)C ZINC001135477304 765950484 /nfs/dbraw/zinc/95/04/84/765950484.db2.gz BCBOBKXCPAZYMF-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001135513452 765967227 /nfs/dbraw/zinc/96/72/27/765967227.db2.gz OUJNIJNDLZZZAP-AWEZNQCLSA-N 1 3 301.431 0.230 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001135743272 766085380 /nfs/dbraw/zinc/08/53/80/766085380.db2.gz HSCRBXNEKXCYOF-OLZOCXBDSA-N 1 3 300.447 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001135979272 766193745 /nfs/dbraw/zinc/19/37/45/766193745.db2.gz DHNKYVYGDKKMHT-ZIAGYGMSSA-N 1 3 303.447 0.210 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001135977551 766197365 /nfs/dbraw/zinc/19/73/65/766197365.db2.gz VKABGVDTPBCHQK-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](O)C1 ZINC001090829600 766648176 /nfs/dbraw/zinc/64/81/76/766648176.db2.gz DHAGONPZVCPTIW-HOTGVXAUSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](O)C1 ZINC001090829600 766648180 /nfs/dbraw/zinc/64/81/80/766648180.db2.gz DHAGONPZVCPTIW-HOTGVXAUSA-N 1 3 305.422 0.933 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1)N(C)C ZINC001160426796 766706347 /nfs/dbraw/zinc/70/63/47/766706347.db2.gz JOYBTGIWMHIXJC-OCCSQVGLSA-N 1 3 312.458 0.336 20 0 DCADHO O=C(NCCN1CC=CC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001119597690 766744956 /nfs/dbraw/zinc/74/49/56/766744956.db2.gz ITYTWBKPBVJCKA-UHFFFAOYSA-N 1 3 307.438 0.865 20 0 DCADHO Cc1nc([C@H]2CCCCN2C(=O)[C@@H](N)CSCC[NH3+])no1 ZINC001160549785 766863059 /nfs/dbraw/zinc/86/30/59/766863059.db2.gz YOSRMMQLFUUWOY-WDEREUQCSA-N 1 3 313.427 0.451 20 0 DCADHO CCS(=O)(=O)CC[NH2+]CC1CCN(C2CCOCC2)CC1 ZINC001120589567 767087959 /nfs/dbraw/zinc/08/79/59/767087959.db2.gz PUDZPJOOCUUODX-UHFFFAOYSA-N 1 3 318.483 0.902 20 0 DCADHO Cc1cnc(CNC2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001091364714 767213862 /nfs/dbraw/zinc/21/38/62/767213862.db2.gz LWIUIQLDUCNIBA-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CNC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001091364714 767213866 /nfs/dbraw/zinc/21/38/66/767213866.db2.gz LWIUIQLDUCNIBA-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001146594831 767485624 /nfs/dbraw/zinc/48/56/24/767485624.db2.gz VIMGZDPFEPESCP-CHWSQXEVSA-N 1 3 312.458 0.478 20 0 DCADHO COCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146592317 767485840 /nfs/dbraw/zinc/48/58/40/767485840.db2.gz JKXSCTKZGMUYFN-HUUCEWRRSA-N 1 3 317.474 0.863 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCCC(C)C ZINC001146710640 767509484 /nfs/dbraw/zinc/50/94/84/767509484.db2.gz KNHOZHBYTAAYSZ-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCCC(C)C ZINC001146710640 767509487 /nfs/dbraw/zinc/50/94/87/767509487.db2.gz KNHOZHBYTAAYSZ-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO COc1cncc(CNCCCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001171293294 767619982 /nfs/dbraw/zinc/61/99/82/767619982.db2.gz HHPKAWYACNNXKQ-UHFFFAOYSA-N 1 3 319.409 0.177 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC001138769415 768435875 /nfs/dbraw/zinc/43/58/75/768435875.db2.gz PDBZZJXIXNGFKT-DOTOQJQBSA-N 1 3 308.422 0.802 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCO)C23CCC3)CCC1 ZINC001203027118 768527570 /nfs/dbraw/zinc/52/75/70/768527570.db2.gz CONXOLQPDGNMOR-ZIAGYGMSSA-N 1 3 309.454 0.870 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+]([C@H](C)COC)CCCO1 ZINC001150469566 769105466 /nfs/dbraw/zinc/10/54/66/769105466.db2.gz HPKGDQOHLIBXAT-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+]([C@H](C)COC)CCCO1 ZINC001150469566 769105474 /nfs/dbraw/zinc/10/54/74/769105474.db2.gz HPKGDQOHLIBXAT-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CCN1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150507862 769112833 /nfs/dbraw/zinc/11/28/33/769112833.db2.gz LUWKTGCVTQJAQB-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(CCCF)CCCO2)C1 ZINC001150589531 769133234 /nfs/dbraw/zinc/13/32/34/769133234.db2.gz VCKVSGPDLXLLNE-GJZGRUSLSA-N 1 3 315.433 0.895 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(CCCF)CCCO2)C1 ZINC001150589531 769133238 /nfs/dbraw/zinc/13/32/38/769133238.db2.gz VCKVSGPDLXLLNE-GJZGRUSLSA-N 1 3 315.433 0.895 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC[C@H]1CN(CCO)CCCO1 ZINC001150761628 769180356 /nfs/dbraw/zinc/18/03/56/769180356.db2.gz QQLSUGGZBGSSOF-HNNXBMFYSA-N 1 3 313.442 0.062 20 0 DCADHO COCCC[NH+]1CCC(NCCOCCOCCO)CC1 ZINC001172245575 769463334 /nfs/dbraw/zinc/46/33/34/769463334.db2.gz WYXABNPEMYBHHV-UHFFFAOYSA-N 1 3 304.431 0.102 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152146387 769489433 /nfs/dbraw/zinc/48/94/33/769489433.db2.gz JEVYUOFAZWFOAH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152459046 769565359 /nfs/dbraw/zinc/56/53/59/769565359.db2.gz XOQSZTCINIVDGJ-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([N@H+](C)CCCN(C)C)C[C@@H]1C(=O)OC ZINC001173570658 769663749 /nfs/dbraw/zinc/66/37/49/769663749.db2.gz HHHRMUWSGNUJJB-CLLJXQQHSA-N 1 3 300.399 0.611 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([N@@H+](C)CCCN(C)C)C[C@@H]1C(=O)OC ZINC001173570658 769663754 /nfs/dbraw/zinc/66/37/54/769663754.db2.gz HHHRMUWSGNUJJB-CLLJXQQHSA-N 1 3 300.399 0.611 20 0 DCADHO C[NH+](C)CCNC(=O)c1noc2c1CN(CCCCO)CC2 ZINC001235521477 769872785 /nfs/dbraw/zinc/87/27/85/769872785.db2.gz NGROAMQFRSNMGV-UHFFFAOYSA-N 1 3 310.398 0.097 20 0 DCADHO C[C@H]1CNCC(F)(F)[C@H]1CN1CCN(C2CC[NH2+]CC2)CC1 ZINC001235699866 769935083 /nfs/dbraw/zinc/93/50/83/769935083.db2.gz SWPBHACYCLZSRV-ZFWWWQNUSA-N 1 3 316.440 0.847 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cc(C)n(C)n3)C[C@H]1C2 ZINC001236026003 769970244 /nfs/dbraw/zinc/97/02/44/769970244.db2.gz HGZRQLQZVAQWCC-JWDQPFGJSA-N 1 3 318.421 0.559 20 0 DCADHO [NH3+]C1CN([C@H]2CCCN(Cc3nc4c(s3)CNCC4)C2)C1 ZINC001236080384 769979608 /nfs/dbraw/zinc/97/96/08/769979608.db2.gz WHTVWJLNKZYIJB-LBPRGKRZSA-N 1 3 307.467 0.396 20 0 DCADHO [NH3+]C1CCN(C2CCN(Cc3cn4c(n3)CNCC4)CC2)CC1 ZINC001236583583 770012679 /nfs/dbraw/zinc/01/26/79/770012679.db2.gz YJSFPRTVVRICAW-UHFFFAOYSA-N 1 3 318.469 0.374 20 0 DCADHO Cc1nc(C[NH2+]CCCNC(=O)[C@H](C)CN2CCOCC2)co1 ZINC001176161785 770048493 /nfs/dbraw/zinc/04/84/93/770048493.db2.gz RQPBYPFTRWCBFZ-CYBMUJFWSA-N 1 3 324.425 0.547 20 0 DCADHO Nc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238240349 770108679 /nfs/dbraw/zinc/10/86/79/770108679.db2.gz HDLFKZJENWXKQO-CYBMUJFWSA-N 1 3 324.450 0.421 20 0 DCADHO Nc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238240349 770108684 /nfs/dbraw/zinc/10/86/84/770108684.db2.gz HDLFKZJENWXKQO-CYBMUJFWSA-N 1 3 324.450 0.421 20 0 DCADHO O=S(=O)(Cc1cccnc1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243347 770109207 /nfs/dbraw/zinc/10/92/07/770109207.db2.gz TYILONBGBFWOCM-CQSZACIVSA-N 1 3 324.450 0.375 20 0 DCADHO O=S(=O)(Cc1cccnc1)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243347 770109212 /nfs/dbraw/zinc/10/92/12/770109212.db2.gz TYILONBGBFWOCM-CQSZACIVSA-N 1 3 324.450 0.375 20 0 DCADHO NCCS(=O)(=O)N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001238834948 770134406 /nfs/dbraw/zinc/13/44/06/770134406.db2.gz GKVPPUDWOYDBOU-CQSZACIVSA-N 1 3 315.414 0.745 20 0 DCADHO NCCS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001239068282 770173188 /nfs/dbraw/zinc/17/31/88/770173188.db2.gz BDHUMPIUDMWITB-JKSUJKDBSA-N 1 3 323.462 0.528 20 0 DCADHO COC(=O)c1ccccc1NC(=O)NCCC[NH2+]CCCN ZINC001239252922 770202369 /nfs/dbraw/zinc/20/23/69/770202369.db2.gz LEBASCSBNIGUMM-UHFFFAOYSA-N 1 3 308.382 0.923 20 0 DCADHO CC(C)[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972379 770264305 /nfs/dbraw/zinc/26/43/05/770264305.db2.gz YPTFENSQZNQBOX-CQSZACIVSA-N 1 3 314.474 0.583 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206654044 770430681 /nfs/dbraw/zinc/43/06/81/770430681.db2.gz UOBLPOBHNHLZFP-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO COc1cc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)sn1 ZINC001155790964 770618562 /nfs/dbraw/zinc/61/85/62/770618562.db2.gz PVTQLNORXOTBLM-GFCCVEGCSA-N 1 3 312.439 0.842 20 0 DCADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001178698208 770838585 /nfs/dbraw/zinc/83/85/85/770838585.db2.gz BTDHAOJOXHFWBX-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOCCOC)[C@@H]1C)N(C)C ZINC001178990277 770923997 /nfs/dbraw/zinc/92/39/97/770923997.db2.gz PVZIXQNJQPQWMM-SOUVJXGZSA-N 1 3 315.458 0.569 20 0 DCADHO CN1CCC(Oc2ccnc(-n3nnc(CC[NH3+])n3)c2)CC1 ZINC001156989688 770993959 /nfs/dbraw/zinc/99/39/59/770993959.db2.gz LVBBOLCOFSECSP-UHFFFAOYSA-N 1 3 303.370 0.032 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@@H]1C ZINC001179979051 771042858 /nfs/dbraw/zinc/04/28/58/771042858.db2.gz PABPASBWEUMKPQ-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@@H]1C ZINC001179979051 771042862 /nfs/dbraw/zinc/04/28/62/771042862.db2.gz PABPASBWEUMKPQ-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180125007 771065909 /nfs/dbraw/zinc/06/59/09/771065909.db2.gz YRUXNZKHDSZJHW-MJBXVCDLSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180125007 771065917 /nfs/dbraw/zinc/06/59/17/771065917.db2.gz YRUXNZKHDSZJHW-MJBXVCDLSA-N 1 3 310.442 0.042 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001181652881 771327019 /nfs/dbraw/zinc/32/70/19/771327019.db2.gz REBPUCWKSCISGL-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001181746860 771341033 /nfs/dbraw/zinc/34/10/33/771341033.db2.gz XVXYRQPOWDZYAT-XJKCOSOUSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473511 771497196 /nfs/dbraw/zinc/49/71/96/771497196.db2.gz SGSHJAAXEIZHLF-HUUCEWRRSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473511 771497200 /nfs/dbraw/zinc/49/72/00/771497200.db2.gz SGSHJAAXEIZHLF-HUUCEWRRSA-N 1 3 324.469 0.574 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676911 771526484 /nfs/dbraw/zinc/52/64/84/771526484.db2.gz RIYXMGSGJCHOLB-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676911 771526488 /nfs/dbraw/zinc/52/64/88/771526488.db2.gz RIYXMGSGJCHOLB-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@H](c2ccccc2)C1 ZINC001157495019 771619981 /nfs/dbraw/zinc/61/99/81/771619981.db2.gz DFEJPCMBZVZEHX-CVEARBPZSA-N 1 3 314.433 0.311 20 0 DCADHO CN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H](c2ccccc2)C1 ZINC001157495020 771620471 /nfs/dbraw/zinc/62/04/71/771620471.db2.gz DFEJPCMBZVZEHX-HOTGVXAUSA-N 1 3 314.433 0.311 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289010 771632529 /nfs/dbraw/zinc/63/25/29/771632529.db2.gz PIHRYNIICDFKHJ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183391400 771643429 /nfs/dbraw/zinc/64/34/29/771643429.db2.gz RBPSZLVYAXQKAC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183391400 771643434 /nfs/dbraw/zinc/64/34/34/771643434.db2.gz RBPSZLVYAXQKAC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO COc1ccc(CSC[C@H](N)C(=O)N2CC(C)([NH3+])C2)cc1 ZINC001157651572 771649547 /nfs/dbraw/zinc/64/95/47/771649547.db2.gz NOFMDCUTLPOMNT-ZDUSSCGKSA-N 1 3 309.435 0.815 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183437254 771649748 /nfs/dbraw/zinc/64/97/48/771649748.db2.gz VWBDQCWXQVVZRI-CABCVRRESA-N 1 3 315.458 0.426 20 0 DCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001157720582 771658756 /nfs/dbraw/zinc/65/87/56/771658756.db2.gz MCYXLILGYNRWGI-PLENUKSMSA-N 1 3 321.465 0.977 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)CC)C1)N(C)C ZINC001183582414 771670709 /nfs/dbraw/zinc/67/07/09/771670709.db2.gz YNVQETVZLBFYDV-BFHYXJOUSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1)N(C)C ZINC001183593429 771672522 /nfs/dbraw/zinc/67/25/22/771672522.db2.gz YJAJGJFJKMLGMF-NWANDNLSSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001183765197 771698709 /nfs/dbraw/zinc/69/87/09/771698709.db2.gz PRRGEZKBVPEFHG-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001183765197 771698712 /nfs/dbraw/zinc/69/87/12/771698712.db2.gz PRRGEZKBVPEFHG-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001183771779 771699031 /nfs/dbraw/zinc/69/90/31/771699031.db2.gz AGKPEXDKKKPMMD-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001183771779 771699036 /nfs/dbraw/zinc/69/90/36/771699036.db2.gz AGKPEXDKKKPMMD-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213748 771879894 /nfs/dbraw/zinc/87/98/94/771879894.db2.gz LZEDPYCJOJLSJR-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)CC1 ZINC001185221658 771880383 /nfs/dbraw/zinc/88/03/83/771880383.db2.gz MDQOGMYUMOGPBN-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249069 771888792 /nfs/dbraw/zinc/88/87/92/771888792.db2.gz MTALMOCWHFSANE-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185266000 771895072 /nfs/dbraw/zinc/89/50/72/771895072.db2.gz WYIBUYQPMMPJMF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1cccc(N(C(=O)[C@@H](N)CN)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159340680 771899003 /nfs/dbraw/zinc/89/90/03/771899003.db2.gz XKOJRLQTEQNRQC-VYDXJSESSA-N 1 3 318.421 0.135 20 0 DCADHO C[C@H]1CCCCN1C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385573 771909502 /nfs/dbraw/zinc/90/95/02/771909502.db2.gz SHANRLWUJRNGRZ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](Nc1cccc(N2CCN(C)CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159499392 771920417 /nfs/dbraw/zinc/92/04/17/771920417.db2.gz PPFNONPONWDMJQ-KGLIPLIRSA-N 1 3 305.426 0.622 20 0 DCADHO COC(=O)c1cc2c(OC)[nH]c(N[C@@H](N)CCC[NH3+])cc-2n1 ZINC001159784112 771957416 /nfs/dbraw/zinc/95/74/16/771957416.db2.gz HFQXIMJCRBSGDQ-LLVKDONJSA-N 1 3 307.354 0.794 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@H]2CCNC(=O)CC2)CCC1 ZINC001159854853 771969045 /nfs/dbraw/zinc/96/90/45/771969045.db2.gz URQPCSJKALOUET-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159860858 771969193 /nfs/dbraw/zinc/96/91/93/771969193.db2.gz FWHXSLWSJRRPLP-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@H]2C[C@@]23CCOC3)CCC1 ZINC001159861837 771969668 /nfs/dbraw/zinc/96/96/68/771969668.db2.gz SCFKTZUIUOOQIX-GDBMZVCRSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@@H]2C[C@@]23CCOC3)CCC1 ZINC001159861838 771970014 /nfs/dbraw/zinc/97/00/14/771970014.db2.gz SCFKTZUIUOOQIX-GOEBONIOSA-N 1 3 309.454 0.993 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC001185918553 771976237 /nfs/dbraw/zinc/97/62/37/771976237.db2.gz NGHXNFYNETUEFC-GFCCVEGCSA-N 1 3 318.381 0.467 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCOCC(F)F)C1CC1 ZINC001159922896 771977495 /nfs/dbraw/zinc/97/74/95/771977495.db2.gz ATTAONCRCCHYNK-ZDUSSCGKSA-N 1 3 307.385 0.704 20 0 DCADHO CN(CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1)C1CCC1 ZINC001159992948 771985675 /nfs/dbraw/zinc/98/56/75/771985675.db2.gz RJZGDVLHOODIFD-UHFFFAOYSA-N 1 3 320.437 0.466 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001159997039 771986498 /nfs/dbraw/zinc/98/64/98/771986498.db2.gz CJVSDSDKWQWIHQ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO COC(=O)CCN(Cc1ccco1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160471776 772045750 /nfs/dbraw/zinc/04/57/50/772045750.db2.gz YDGHTMHJTHMTCX-ZDUSSCGKSA-N 1 3 311.382 0.628 20 0 DCADHO COC(=O)c1cccc2c1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160565198 772067340 /nfs/dbraw/zinc/06/73/40/772067340.db2.gz OANOIUZNEJBPLF-CQSZACIVSA-N 1 3 315.373 0.124 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N[C@@H](C)C2CC2)C1 ZINC001186817396 772095013 /nfs/dbraw/zinc/09/50/13/772095013.db2.gz QZSKRUDGOHJGPK-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N[C@@H](C)C2CC2)C1 ZINC001186817396 772095019 /nfs/dbraw/zinc/09/50/19/772095019.db2.gz QZSKRUDGOHJGPK-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(C(C)C)C2=O)C1 ZINC001186817482 772095921 /nfs/dbraw/zinc/09/59/21/772095921.db2.gz UARWGBKRJXYZQQ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(C(C)C)C2=O)C1 ZINC001186817482 772095926 /nfs/dbraw/zinc/09/59/26/772095926.db2.gz UARWGBKRJXYZQQ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001186824983 772096420 /nfs/dbraw/zinc/09/64/20/772096420.db2.gz SYMHKRHGEJTRJD-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cnc(C)nc2)C1 ZINC001186824983 772096424 /nfs/dbraw/zinc/09/64/24/772096424.db2.gz SYMHKRHGEJTRJD-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CCN2CCC1CC2 ZINC001160726149 772103496 /nfs/dbraw/zinc/10/34/96/772103496.db2.gz JPYARHKYHDDSTG-HOCLYGCPSA-N 1 3 306.454 0.367 20 0 DCADHO C[C@@](O)(C1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1)C(F)(F)F ZINC001160837066 772118845 /nfs/dbraw/zinc/11/88/45/772118845.db2.gz AUPRSWSEPJQGGY-CMPLNLGQSA-N 1 3 311.348 0.605 20 0 DCADHO CN(C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001160837866 772119693 /nfs/dbraw/zinc/11/96/93/772119693.db2.gz DFOFBRNICDLSQM-MJBXVCDLSA-N 1 3 313.442 0.321 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160878187 772131314 /nfs/dbraw/zinc/13/13/14/772131314.db2.gz HJUCKSUZFWZHCC-LBPRGKRZSA-N 1 3 318.377 0.136 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1 ZINC001160948624 772141533 /nfs/dbraw/zinc/14/15/33/772141533.db2.gz NOIGWIJXZCPBEB-OAHLLOKOSA-N 1 3 315.421 0.883 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161011707 772149276 /nfs/dbraw/zinc/14/92/76/772149276.db2.gz XQJDTVRCZSHLPK-HNNXBMFYSA-N 1 3 301.390 0.619 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1)C(N)=O ZINC001187328203 772167159 /nfs/dbraw/zinc/16/71/59/772167159.db2.gz DCUSFDQZYWQYGZ-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CN(CCN(C)C(=O)C1(N)CC[NH2+]CC1)Cc1ccccc1 ZINC001161161048 772179169 /nfs/dbraw/zinc/17/91/69/772179169.db2.gz LCSUTPXLOGGDCG-UHFFFAOYSA-N 1 3 304.438 0.658 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203661369 772180459 /nfs/dbraw/zinc/18/04/59/772180459.db2.gz UEUPQFOTHRGULW-KGLIPLIRSA-N 1 3 306.410 0.660 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206458 772184465 /nfs/dbraw/zinc/18/44/65/772184465.db2.gz YQPTYMRPRZVSHX-AWEZNQCLSA-N 1 3 311.426 0.505 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001161238989 772188765 /nfs/dbraw/zinc/18/87/65/772188765.db2.gz FMGPIVNPBLYMPI-GOEBONIOSA-N 1 3 309.385 0.854 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246756 772190289 /nfs/dbraw/zinc/19/02/89/772190289.db2.gz ONDROBYIYDIHAW-GOEBONIOSA-N 1 3 309.385 0.691 20 0 DCADHO N[C@H](C(=O)N1CCC(N2CCCOC2=O)CC1)C1CC[NH2+]CC1 ZINC001161264447 772193402 /nfs/dbraw/zinc/19/34/02/772193402.db2.gz NDGVWOSKWWSQNC-AWEZNQCLSA-N 1 3 324.425 0.147 20 0 DCADHO Cc1cc(F)cc(CN(C(=O)[C@@H](N)CN)C2CC[NH2+]CC2)c1 ZINC001161282446 772196133 /nfs/dbraw/zinc/19/61/33/772196133.db2.gz ZZGIKLVFKVUTAP-HNNXBMFYSA-N 1 3 308.401 0.501 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413011 772219488 /nfs/dbraw/zinc/21/94/88/772219488.db2.gz NJNGEJCKXIPGGX-NXOAAHMSSA-N 1 3 317.433 0.987 20 0 DCADHO CN1CCc2nc(Cl)nc(-n3cc(C[NH3+])cnc3=N)c2C1 ZINC001161421531 772221702 /nfs/dbraw/zinc/22/17/02/772221702.db2.gz YLFNECLPHPDHPQ-UHFFFAOYSA-N 1 3 305.773 0.242 20 0 DCADHO CN(C)CCN(C(=O)c1cnc2c(c1)CCN2)[C@H]1CCC[NH2+]C1 ZINC001161450104 772225146 /nfs/dbraw/zinc/22/51/46/772225146.db2.gz ATXULSCAWFRMRO-HNNXBMFYSA-N 1 3 317.437 0.344 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N(C1CCC1)C1CCOCC1 ZINC001161460639 772226488 /nfs/dbraw/zinc/22/64/88/772226488.db2.gz MLUGAMWTRUIKDU-ZDUSSCGKSA-N 1 3 301.456 0.566 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187841516 772232814 /nfs/dbraw/zinc/23/28/14/772232814.db2.gz DHKUAKNUTUYEOG-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188118127 772268654 /nfs/dbraw/zinc/26/86/54/772268654.db2.gz JCQIAMUIKVBDDT-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCN(CCCNc2ccc(N3CC[NH2+]CC3)nc2)CC1 ZINC001161705647 772268812 /nfs/dbraw/zinc/26/88/12/772268812.db2.gz KYPOQJWJADLWBL-UHFFFAOYSA-N 1 3 318.469 0.541 20 0 DCADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cn1 ZINC001188158168 772277430 /nfs/dbraw/zinc/27/74/30/772277430.db2.gz FUGPLJYOGYSYPJ-MRXNPFEDSA-N 1 3 321.469 0.976 20 0 DCADHO COCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389363 772463278 /nfs/dbraw/zinc/46/32/78/772463278.db2.gz JMRIUPRTOOAKEM-GJZGRUSLSA-N 1 3 313.442 0.276 20 0 DCADHO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389363 772463281 /nfs/dbraw/zinc/46/32/81/772463281.db2.gz JMRIUPRTOOAKEM-GJZGRUSLSA-N 1 3 313.442 0.276 20 0 DCADHO CC[NH+](CC)CCNC(=N)Nc1nccc2c1NC(=O)CO2 ZINC001163125732 772468239 /nfs/dbraw/zinc/46/82/39/772468239.db2.gz IOGFKNIQLIQYFN-UHFFFAOYSA-N 1 3 306.370 0.691 20 0 DCADHO CCOC(=O)Cc1cnc(NC(=N)NCC[NH+](CC)CC)nc1 ZINC001163127051 772468993 /nfs/dbraw/zinc/46/89/93/772468993.db2.gz YDLALLQIQLJQFA-UHFFFAOYSA-N 1 3 322.413 0.860 20 0 DCADHO c1cc2c(nc1NC[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)OCCNC2 ZINC001163163073 772475675 /nfs/dbraw/zinc/47/56/75/772475675.db2.gz GFAKJOIYXBPDBV-MCIONIFRSA-N 1 3 304.394 0.600 20 0 DCADHO c1cc2c(nc1N[C@@H]1CCO[C@@]3(CC[NH2+]C3)C1)OCCNC2 ZINC001163311114 772504659 /nfs/dbraw/zinc/50/46/59/772504659.db2.gz QQMILNMWBMMOBP-CJNGLKHVSA-N 1 3 304.394 0.887 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)CCC1 ZINC001190644485 772656887 /nfs/dbraw/zinc/65/68/87/772656887.db2.gz IRJMEYRFJQPKSN-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)CCC1 ZINC001190644485 772656888 /nfs/dbraw/zinc/65/68/88/772656888.db2.gz IRJMEYRFJQPKSN-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1c1ccc(CN(C)C2CC2)cn1 ZINC001165129036 772699084 /nfs/dbraw/zinc/69/90/84/772699084.db2.gz SXGDQYWJGRQCGV-JSGCOSHPSA-N 1 3 304.394 0.755 20 0 DCADHO c1cc(N2CC[C@@H]3NCCO[C@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001165274065 772714206 /nfs/dbraw/zinc/71/42/06/772714206.db2.gz FKMASLMMWPJDGM-KBPBESRZSA-N 1 3 319.409 0.175 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165484989 772742356 /nfs/dbraw/zinc/74/23/56/772742356.db2.gz JCPVATSZPKXFJL-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001165484747 772742504 /nfs/dbraw/zinc/74/25/04/772742504.db2.gz IJIMBSDNNQEPPD-KGLIPLIRSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)CN2CCC[C@H]2C)C1=O ZINC001166626087 772830199 /nfs/dbraw/zinc/83/01/99/772830199.db2.gz ALCNZHXGCBJKTH-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634840 772833170 /nfs/dbraw/zinc/83/31/70/772833170.db2.gz WAGWAHCOPJLWAQ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nccnc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677915 772839650 /nfs/dbraw/zinc/83/96/50/772839650.db2.gz QHDXRQNBXXUBMO-CYBMUJFWSA-N 1 3 305.426 0.723 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166707924 772845519 /nfs/dbraw/zinc/84/55/19/772845519.db2.gz KLFWDXCACFCEJF-DZGCQCFKSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707924 772845524 /nfs/dbraw/zinc/84/55/24/772845524.db2.gz KLFWDXCACFCEJF-DZGCQCFKSA-N 1 3 320.437 0.884 20 0 DCADHO CC[C@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001166744008 772854693 /nfs/dbraw/zinc/85/46/93/772854693.db2.gz CMWLHFAPPKXOLQ-LBPRGKRZSA-N 1 3 300.447 0.324 20 0 DCADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O)CC(C)(C)C ZINC001166744448 772855443 /nfs/dbraw/zinc/85/54/43/772855443.db2.gz XLULNFPAVXTTSM-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1)N(C)C ZINC001166857245 772871549 /nfs/dbraw/zinc/87/15/49/772871549.db2.gz AFHOUDAHKYFDBP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203652089 772918014 /nfs/dbraw/zinc/91/80/14/772918014.db2.gz RKKPIYIIVLONCN-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC001203902214 772929013 /nfs/dbraw/zinc/92/90/13/772929013.db2.gz DDXUWNVFYHUKCX-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001203925496 772929891 /nfs/dbraw/zinc/92/98/91/772929891.db2.gz QEOLPQJSKHACMT-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457694 772993762 /nfs/dbraw/zinc/99/37/62/772993762.db2.gz LNBIKEJKDAUHKV-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024293 772997172 /nfs/dbraw/zinc/99/71/72/772997172.db2.gz JYYQGCFLZNKLNA-BZUAXINKSA-N 1 3 309.454 0.680 20 0 DCADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(-n3cncn3)cc2)C1 ZINC001205680812 773006036 /nfs/dbraw/zinc/00/60/36/773006036.db2.gz BDJWHNFLFQBBJC-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC001205680812 773006039 /nfs/dbraw/zinc/00/60/39/773006039.db2.gz BDJWHNFLFQBBJC-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC001205680812 773006045 /nfs/dbraw/zinc/00/60/45/773006045.db2.gz BDJWHNFLFQBBJC-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001193456944 773072042 /nfs/dbraw/zinc/07/20/42/773072042.db2.gz ZOFTYWQITSLPMM-RRFJBIMHSA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001193456944 773072046 /nfs/dbraw/zinc/07/20/46/773072046.db2.gz ZOFTYWQITSLPMM-RRFJBIMHSA-N 1 3 315.433 0.628 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC001193643100 773093682 /nfs/dbraw/zinc/09/36/82/773093682.db2.gz RQHYQXCBGCGIDS-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC001193643100 773093686 /nfs/dbraw/zinc/09/36/86/773093686.db2.gz RQHYQXCBGCGIDS-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001206929012 773137600 /nfs/dbraw/zinc/13/76/00/773137600.db2.gz QPODHNGBRWGLFO-UHFFFAOYSA-N 1 3 320.441 0.202 20 0 DCADHO C[NH+]1CCC(CN2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC1 ZINC001207396349 773198834 /nfs/dbraw/zinc/19/88/34/773198834.db2.gz GFJBDHCKZQPMIV-CVEARBPZSA-N 1 3 317.437 0.708 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063480 773391200 /nfs/dbraw/zinc/39/12/00/773391200.db2.gz OEJCZIZZMDWDRO-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339670 773436897 /nfs/dbraw/zinc/43/68/97/773436897.db2.gz CPPXZYRBHVJSHT-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(N)=O ZINC001208769278 773527071 /nfs/dbraw/zinc/52/70/71/773527071.db2.gz JMCYWFJQSPSXDB-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919992 773539350 /nfs/dbraw/zinc/53/93/50/773539350.db2.gz ZMFWCZUWNARMEQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407691 773601898 /nfs/dbraw/zinc/60/18/98/773601898.db2.gz BAIGBMSGEQQQPX-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@H]1C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001209416950 773602915 /nfs/dbraw/zinc/60/29/15/773602915.db2.gz VCTSSGJZAPTUJC-HOTGVXAUSA-N 1 3 322.497 0.813 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001209633412 773627278 /nfs/dbraw/zinc/62/72/78/773627278.db2.gz USXMQBRYZAQTSR-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643817 773629488 /nfs/dbraw/zinc/62/94/88/773629488.db2.gz WOOQWPGWBVNXRE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001210217087 773686247 /nfs/dbraw/zinc/68/62/47/773686247.db2.gz CQBLZAWDGYEOKG-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCN(CCCN2CCCC2=O)CC1 ZINC001197037645 773687544 /nfs/dbraw/zinc/68/75/44/773687544.db2.gz PFFJXOFLGOCODV-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CCOCCN1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297157 773695857 /nfs/dbraw/zinc/69/58/57/773695857.db2.gz CDBFTVBDBLOBAF-ZIAGYGMSSA-N 1 3 301.431 0.038 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001210492741 773714251 /nfs/dbraw/zinc/71/42/51/773714251.db2.gz BZCYPWVWYQYWAO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001210492741 773714253 /nfs/dbraw/zinc/71/42/53/773714253.db2.gz BZCYPWVWYQYWAO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673557 773728883 /nfs/dbraw/zinc/72/88/83/773728883.db2.gz DTVBWQWDEFCNOD-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673557 773728886 /nfs/dbraw/zinc/72/88/86/773728886.db2.gz DTVBWQWDEFCNOD-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001210782533 773736142 /nfs/dbraw/zinc/73/61/42/773736142.db2.gz NIRPIKQYYWXJSL-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001210783904 773737597 /nfs/dbraw/zinc/73/75/97/773737597.db2.gz WRQVJUIZVMOXBO-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001210783904 773737602 /nfs/dbraw/zinc/73/76/02/773737602.db2.gz WRQVJUIZVMOXBO-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211063963 773765164 /nfs/dbraw/zinc/76/51/64/773765164.db2.gz FFHIFZGVGBPWGB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211063963 773765169 /nfs/dbraw/zinc/76/51/69/773765169.db2.gz FFHIFZGVGBPWGB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC001197628852 773775274 /nfs/dbraw/zinc/77/52/74/773775274.db2.gz VKGKQTIAGXCPDE-DOTOQJQBSA-N 1 3 317.433 0.935 20 0 DCADHO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC001197628852 773775278 /nfs/dbraw/zinc/77/52/78/773775278.db2.gz VKGKQTIAGXCPDE-DOTOQJQBSA-N 1 3 317.433 0.935 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001211229299 773783406 /nfs/dbraw/zinc/78/34/06/773783406.db2.gz SLVNAMAIWJCFGD-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211239957 773784164 /nfs/dbraw/zinc/78/41/64/773784164.db2.gz DLFQNOVSLYQUSH-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001213857563 773893317 /nfs/dbraw/zinc/89/33/17/773893317.db2.gz OXABTSHRIMKUKP-RRFJBIMHSA-N 1 3 315.433 0.893 20 0 DCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001213857563 773893326 /nfs/dbraw/zinc/89/33/26/773893326.db2.gz OXABTSHRIMKUKP-RRFJBIMHSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214343645 773961596 /nfs/dbraw/zinc/96/15/96/773961596.db2.gz BPIMBEJVOPESCG-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001214665962 774006008 /nfs/dbraw/zinc/00/60/08/774006008.db2.gz NWCZGESLWYTIFB-LXTVHRRPSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001214665962 774006015 /nfs/dbraw/zinc/00/60/15/774006015.db2.gz NWCZGESLWYTIFB-LXTVHRRPSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NC1CC1 ZINC001214661720 774006592 /nfs/dbraw/zinc/00/65/92/774006592.db2.gz ADHBQRNZHZBODD-QHSBEEBCSA-N 1 3 322.453 0.042 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)NC1CC1 ZINC001214661720 774006596 /nfs/dbraw/zinc/00/65/96/774006596.db2.gz ADHBQRNZHZBODD-QHSBEEBCSA-N 1 3 322.453 0.042 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214861436 774019581 /nfs/dbraw/zinc/01/95/81/774019581.db2.gz UDWCFTLEPCWKOK-IUODEOHRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)N(C)C ZINC001214889126 774022351 /nfs/dbraw/zinc/02/23/51/774022351.db2.gz ICLRPFGBROMCKB-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)N(C)C ZINC001214889126 774022356 /nfs/dbraw/zinc/02/23/56/774022356.db2.gz ICLRPFGBROMCKB-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216382750 774115237 /nfs/dbraw/zinc/11/52/37/774115237.db2.gz BTBCJOWAXQMLCS-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216382750 774115240 /nfs/dbraw/zinc/11/52/40/774115240.db2.gz BTBCJOWAXQMLCS-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001216465062 774118477 /nfs/dbraw/zinc/11/84/77/774118477.db2.gz YQMPEEKZVKYTRG-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO COc1ccc(Cc2nnc(C34CNCC3C[NH2+]C4)o2)cc1 ZINC001217706300 774193211 /nfs/dbraw/zinc/19/32/11/774193211.db2.gz KXORJIMVMYXAAO-UHFFFAOYSA-N 1 3 300.362 0.729 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199787714 774198485 /nfs/dbraw/zinc/19/84/85/774198485.db2.gz CSBLKPFJELYMNG-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2CCC[NH2+]CC2)c1 ZINC001217999614 774208707 /nfs/dbraw/zinc/20/87/07/774208707.db2.gz KEUXRGNZBXLLQO-KBPBESRZSA-N 1 3 321.421 0.871 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001218096498 774212300 /nfs/dbraw/zinc/21/23/00/774212300.db2.gz QZBSDIQOXVAOLT-ZMSDIMECSA-N 1 3 303.406 0.953 20 0 DCADHO CN(C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC001199827225 774218593 /nfs/dbraw/zinc/21/85/93/774218593.db2.gz SVPZFHXBOCVTMJ-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)NC1CC1 ZINC001199827045 774219146 /nfs/dbraw/zinc/21/91/46/774219146.db2.gz RMQWRJZVFXLXPK-IUODEOHRSA-N 1 3 322.453 0.328 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001218326237 774220879 /nfs/dbraw/zinc/22/08/79/774220879.db2.gz JUQYHHVMLZXHLL-PWNZVWSESA-N 1 3 319.405 0.337 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001218326236 774221532 /nfs/dbraw/zinc/22/15/32/774221532.db2.gz JUQYHHVMLZXHLL-GUIRCDHDSA-N 1 3 319.405 0.337 20 0 DCADHO O=C(Nc1cnc2ccc(Cl)nn12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218568805 774250824 /nfs/dbraw/zinc/25/08/24/774250824.db2.gz UWGZPVGFXQMEBG-YMTOWFKASA-N 1 3 320.784 0.520 20 0 DCADHO Nc1ccnc(-c2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ccn2)c1 ZINC001218612165 774262829 /nfs/dbraw/zinc/26/28/29/774262829.db2.gz OUKRNXFVBVKBRG-ZDUSSCGKSA-N 1 3 324.388 0.473 20 0 DCADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cn1C ZINC001218632369 774268713 /nfs/dbraw/zinc/26/87/13/774268713.db2.gz VKNDFKPGCVEBKR-LBPRGKRZSA-N 1 3 310.398 0.809 20 0 DCADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218642426 774271346 /nfs/dbraw/zinc/27/13/46/774271346.db2.gz VELBYRMHQXOOGI-VIFPVBQESA-N 1 3 314.821 0.606 20 0 DCADHO COc1nc(Cl)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218673745 774278214 /nfs/dbraw/zinc/27/82/14/774278214.db2.gz COBBJWOEUPAHRH-YMTOWFKASA-N 1 3 310.785 0.881 20 0 DCADHO N[C@H](C(=O)Nc1ncccc1N1CCOCC1)C1CC[NH2+]CC1 ZINC001218711194 774285646 /nfs/dbraw/zinc/28/56/46/774285646.db2.gz AEVAHBVDCPSSIY-AWEZNQCLSA-N 1 3 319.409 0.184 20 0 DCADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3CNC[C@@H](F)C3)cn2)CC1 ZINC001218725677 774289269 /nfs/dbraw/zinc/28/92/69/774289269.db2.gz ZWXBKJJETMHGLD-RYUDHWBXSA-N 1 3 321.400 0.895 20 0 DCADHO N[C@@H](C(=O)Nc1ccnn1Br)C1CC[NH2+]CC1 ZINC001218772156 774300233 /nfs/dbraw/zinc/30/02/33/774300233.db2.gz JUBPDMUOMFAIIP-SECBINFHSA-N 1 3 302.176 0.307 20 0 DCADHO O=C(Nc1cc(-c2ccccc2)cnn1)[C@H]1C[NH2+]CC12CNC2 ZINC001218779632 774302075 /nfs/dbraw/zinc/30/20/75/774302075.db2.gz ZOAFVQSBYZVMJP-CQSZACIVSA-N 1 3 309.373 0.891 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cnc(-n2nccn2)c(Cl)c1 ZINC001218802921 774306176 /nfs/dbraw/zinc/30/61/76/774306176.db2.gz GNUQPPNNAYVUGZ-NSHDSACASA-N 1 3 323.788 0.711 20 0 DCADHO N[C@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)C1CC[NH2+]CC1 ZINC001218850339 774315116 /nfs/dbraw/zinc/31/51/16/774315116.db2.gz HTSAEEQUROYYCX-AWEZNQCLSA-N 1 3 304.350 0.283 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200477953 774360413 /nfs/dbraw/zinc/36/04/13/774360413.db2.gz FQNFLFLFGZXNLS-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001200851889 774417186 /nfs/dbraw/zinc/41/71/86/774417186.db2.gz SEAHDNQIDRMPPO-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001219555932 774535183 /nfs/dbraw/zinc/53/51/83/774535183.db2.gz ZMIYXZGKNNRJLR-STQMWFEESA-N 1 3 300.447 0.323 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)OC)C1 ZINC001201679310 774536633 /nfs/dbraw/zinc/53/66/33/774536633.db2.gz VLLRKINLXYLEKB-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(NCCc1c(F)cccc1Cl)[C@H]1C[NH2+]CC12CNC2 ZINC001219569201 774540065 /nfs/dbraw/zinc/54/00/65/774540065.db2.gz GVMOHNIJTXKLPE-LLVKDONJSA-N 1 3 311.788 0.947 20 0 DCADHO [NH3+]C[C@@H](O)CC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668818 774575747 /nfs/dbraw/zinc/57/57/47/774575747.db2.gz AFGDNKMSHTUMAH-KRWDZBQOSA-N 1 3 319.449 0.767 20 0 DCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)N2 ZINC001219686943 774579169 /nfs/dbraw/zinc/57/91/69/774579169.db2.gz ASPZLKZNEAZGST-UONOGXRCSA-N 1 3 302.378 0.431 20 0 DCADHO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cnc2ccccn21 ZINC001219701600 774584225 /nfs/dbraw/zinc/58/42/25/774584225.db2.gz OPSKVRMRCIEXCM-PBFPGSCMSA-N 1 3 313.405 0.711 20 0 DCADHO Nc1nc(=O)c2ccccc2n1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219718146 774589906 /nfs/dbraw/zinc/58/99/06/774589906.db2.gz HRFNZOGOXRHWRP-QLJPJBMISA-N 1 3 313.361 0.061 20 0 DCADHO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219866061 774631849 /nfs/dbraw/zinc/63/18/49/774631849.db2.gz ZLARYSTVSMXZCN-OWCLPIDISA-N 1 3 315.417 0.635 20 0 DCADHO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219866061 774631852 /nfs/dbraw/zinc/63/18/52/774631852.db2.gz ZLARYSTVSMXZCN-OWCLPIDISA-N 1 3 315.417 0.635 20 0 DCADHO N[C@H](C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1)C1CC[NH2+]CC1 ZINC001219891328 774639864 /nfs/dbraw/zinc/63/98/64/774639864.db2.gz RZXUSIBZMJLTTK-DOMZBBRYSA-N 1 3 304.394 0.088 20 0 DCADHO CO[C@@H]1COCC[C@H]1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220141027 774704976 /nfs/dbraw/zinc/70/49/76/774704976.db2.gz FFLQAKFJYIHSGC-BFHYXJOUSA-N 1 3 301.431 0.402 20 0 DCADHO Cn1cc2cccc(CNC(=O)[C@H](N)C3CC[NH2+]CC3)c2n1 ZINC001220143877 774706791 /nfs/dbraw/zinc/70/67/91/774706791.db2.gz YXLWDHHZZZBKES-CQSZACIVSA-N 1 3 301.394 0.516 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159637 774714121 /nfs/dbraw/zinc/71/41/21/774714121.db2.gz PQNMRTGVNYCYQI-DUVNUKRYSA-N 1 3 305.426 0.328 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163963 774715800 /nfs/dbraw/zinc/71/58/00/774715800.db2.gz XFNPSNSBPZNSSG-QJVCWMCKSA-N 1 3 301.456 0.121 20 0 DCADHO N[C@@H](C(=O)NCC(=O)c1c[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC001220197556 774730046 /nfs/dbraw/zinc/73/00/46/774730046.db2.gz JHGJKEXFMXZUIN-MRXNPFEDSA-N 1 3 314.389 0.794 20 0 DCADHO CC1(C)[C@H](C[NH3+])C[C@@H]1C(=O)NCc1ncn2c1CNCCC2 ZINC001220310440 774765846 /nfs/dbraw/zinc/76/58/46/774765846.db2.gz AOLNLBSBUZMAQK-NWDGAFQWSA-N 1 3 305.426 0.614 20 0 DCADHO COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001220405541 774798059 /nfs/dbraw/zinc/79/80/59/774798059.db2.gz AOGPXDOZOAEPSW-MJBXVCDLSA-N 1 3 313.442 0.940 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C2(C)CCC([NH3+])CC2)CCNC1 ZINC001220521239 774834750 /nfs/dbraw/zinc/83/47/50/774834750.db2.gz ARJTUISGEVBQJR-UHFFFAOYSA-N 1 3 309.410 0.821 20 0 DCADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])c1cccnc1 ZINC001220530693 774839970 /nfs/dbraw/zinc/83/99/70/774839970.db2.gz UVHIBUTVPSJGBQ-STQMWFEESA-N 1 3 308.382 0.258 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C(F)(F)F ZINC001220587322 774853721 /nfs/dbraw/zinc/85/37/21/774853721.db2.gz AEKXUJXGSXDBOK-IUCAKERBSA-N 1 3 323.315 0.081 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C(F)(F)F ZINC001220587322 774853731 /nfs/dbraw/zinc/85/37/31/774853731.db2.gz AEKXUJXGSXDBOK-IUCAKERBSA-N 1 3 323.315 0.081 20 0 DCADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])c1ccccn1 ZINC001220900095 774947459 /nfs/dbraw/zinc/94/74/59/774947459.db2.gz ADTQOCISPWIFBB-AAEUAGOBSA-N 1 3 308.382 0.258 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220926434 774954325 /nfs/dbraw/zinc/95/43/25/774954325.db2.gz MFXQSCOCFFQCKN-HOTGVXAUSA-N 1 3 318.421 0.133 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)NCCO[C@@H]2CC[NH2+]C2)c(C)c1 ZINC001220937187 774957648 /nfs/dbraw/zinc/95/76/48/774957648.db2.gz NTRNXZMJBKQWBC-CVEARBPZSA-N 1 3 305.422 0.668 20 0 DCADHO CC(C)Oc1nccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001220988648 774971137 /nfs/dbraw/zinc/97/11/37/774971137.db2.gz QCZIXUUADQXFQG-MLGOLLRUSA-N 1 3 319.409 0.079 20 0 DCADHO CC(C)CC1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCOCC1 ZINC001221001328 774974585 /nfs/dbraw/zinc/97/45/85/774974585.db2.gz PSGRVMBCCYBPIW-RHSMWYFYSA-N 1 3 309.454 0.897 20 0 DCADHO [NH3+]C[C@H](C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000316840511 774990341 /nfs/dbraw/zinc/99/03/41/774990341.db2.gz RAUCYSFJDWXLOQ-JYJNAYRXSA-N 1 3 303.406 0.708 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121417 775000798 /nfs/dbraw/zinc/00/07/98/775000798.db2.gz DRGGIODBDDJFOW-ZDUSSCGKSA-N 1 3 320.393 0.057 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221125812 775002271 /nfs/dbraw/zinc/00/22/71/775002271.db2.gz KBGLFUKDINPASN-OAHLLOKOSA-N 1 3 319.453 0.956 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221125812 775002278 /nfs/dbraw/zinc/00/22/78/775002278.db2.gz KBGLFUKDINPASN-OAHLLOKOSA-N 1 3 319.453 0.956 20 0 DCADHO O=C(NCc1nc2cc[nH]cc-2n1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221195078 775023566 /nfs/dbraw/zinc/02/35/66/775023566.db2.gz YBGWAOOLEFJYDT-LBPRGKRZSA-N 1 3 314.393 0.448 20 0 DCADHO O=C(N[C@@H]1CCOc2c(F)cc(F)cc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001221258754 775047503 /nfs/dbraw/zinc/04/75/03/775047503.db2.gz MOXHSJZPIFFVFH-WCQYABFASA-N 1 3 323.343 0.714 20 0 DCADHO O=C(NC[C@@H]1C(=O)Nc2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221309350 775064268 /nfs/dbraw/zinc/06/42/68/775064268.db2.gz PRFYSSJCLRZGRE-BTJLNZGRSA-N 1 3 314.389 0.038 20 0 DCADHO O=C(NC[C@@H](O)c1cc2ccccc2o1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221331109 775071479 /nfs/dbraw/zinc/07/14/79/775071479.db2.gz LQMMNTKKRPQWPL-QWHCGFSZSA-N 1 3 315.373 0.391 20 0 DCADHO COc1cnccc1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221336103 775072210 /nfs/dbraw/zinc/07/22/10/775072210.db2.gz KUYZSWLDELJJHZ-CQSZACIVSA-N 1 3 318.421 0.623 20 0 DCADHO COc1cnccc1CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221336103 775072215 /nfs/dbraw/zinc/07/22/15/775072215.db2.gz KUYZSWLDELJJHZ-CQSZACIVSA-N 1 3 318.421 0.623 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397249 775085756 /nfs/dbraw/zinc/08/57/56/775085756.db2.gz IEVQTSQKFIBEAB-DOTOQJQBSA-N 1 3 303.406 0.322 20 0 DCADHO c1c(CN2CCOC[C@]3(CNCCO3)C2)sc2c1C[NH2+]CC2 ZINC001222186257 775294856 /nfs/dbraw/zinc/29/48/56/775294856.db2.gz BROZEQSKBASQHD-INIZCTEOSA-N 1 3 323.462 0.585 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1)N(C)C ZINC001227047410 775917743 /nfs/dbraw/zinc/91/77/43/775917743.db2.gz GFPGENABDDWDPB-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC001227798101 776008742 /nfs/dbraw/zinc/00/87/42/776008742.db2.gz SECZVTPTJGYZRT-INIZCTEOSA-N 1 3 319.453 0.804 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001229237410 776171706 /nfs/dbraw/zinc/17/17/06/776171706.db2.gz DDZIRILPIKASNH-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001230284717 776276441 /nfs/dbraw/zinc/27/64/41/776276441.db2.gz RRMZEXQOAOKQQC-KFWWJZLASA-N 1 3 324.469 0.622 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317641653 945135902 /nfs/dbraw/zinc/13/59/02/945135902.db2.gz BFPSBRDNBTVSLC-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001317641653 945135908 /nfs/dbraw/zinc/13/59/08/945135908.db2.gz BFPSBRDNBTVSLC-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO C[N@@H+]1CCC[C@H](CN2C[C@H]3C[C@@]3(C(=O)Nc3nnco3)C2)C1 ZINC001278141989 945153987 /nfs/dbraw/zinc/15/39/87/945153987.db2.gz CQUPVPJSYJPKBQ-YWPYICTPSA-N 1 3 305.382 0.672 20 0 DCADHO C[N@H+]1CCC[C@H](CN2C[C@H]3C[C@@]3(C(=O)Nc3nnco3)C2)C1 ZINC001278141989 945153993 /nfs/dbraw/zinc/15/39/93/945153993.db2.gz CQUPVPJSYJPKBQ-YWPYICTPSA-N 1 3 305.382 0.672 20 0 DCADHO CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C[C@@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001278149016 945156978 /nfs/dbraw/zinc/15/69/78/945156978.db2.gz UVGWWUAPWGGBNF-WCVJEAGWSA-N 1 3 309.454 0.896 20 0 DCADHO CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@@H]2O1 ZINC001278149016 945156983 /nfs/dbraw/zinc/15/69/83/945156983.db2.gz UVGWWUAPWGGBNF-WCVJEAGWSA-N 1 3 309.454 0.896 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCCO)C2)c1 ZINC001266567685 939166711 /nfs/dbraw/zinc/16/67/11/939166711.db2.gz OEJODEQQMCFYHJ-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO CC(C)(C(=O)NCCC[C@H]1CCCN1CC(N)=O)[NH+]1CCCC1 ZINC001267171902 939370843 /nfs/dbraw/zinc/37/08/43/939370843.db2.gz QOLPHULEBWQYHG-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456134 939460618 /nfs/dbraw/zinc/46/06/18/939460618.db2.gz MRGDFGDUPMGNRO-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267456134 939460620 /nfs/dbraw/zinc/46/06/20/939460620.db2.gz MRGDFGDUPMGNRO-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001481314760 939742789 /nfs/dbraw/zinc/74/27/89/939742789.db2.gz KVUQIUBVRXIBQQ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001481517178 939912148 /nfs/dbraw/zinc/91/21/48/939912148.db2.gz CWRRYKOFRVTCFZ-CYBMUJFWSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CCCC[NH+](C)C ZINC001268096127 939946484 /nfs/dbraw/zinc/94/64/84/939946484.db2.gz YUZQZXMVBQDOKI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC2CN(C[C@@H]3CCCCO3)C2)C1 ZINC001481655076 940015439 /nfs/dbraw/zinc/01/54/39/940015439.db2.gz QKTMLPUTMVPZCZ-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC2CN(C[C@@H]3CCCCO3)C2)C1 ZINC001481655076 940015442 /nfs/dbraw/zinc/01/54/42/940015442.db2.gz QKTMLPUTMVPZCZ-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001482008969 940204701 /nfs/dbraw/zinc/20/47/01/940204701.db2.gz AIKKZAWBMNOMPG-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268597187 940289601 /nfs/dbraw/zinc/28/96/01/940289601.db2.gz QTDKDHRFVWGYBV-KXLSMFKISA-N 1 3 324.469 0.646 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268597187 940289604 /nfs/dbraw/zinc/28/96/04/940289604.db2.gz QTDKDHRFVWGYBV-KXLSMFKISA-N 1 3 324.469 0.646 20 0 DCADHO CCN(C)C(=O)CNC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268630182 940309195 /nfs/dbraw/zinc/30/91/95/940309195.db2.gz GPZOHLPZMWXDPU-MVGZEHJDSA-N 1 3 324.469 0.601 20 0 DCADHO CCN(C)C(=O)CNC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268630182 940309199 /nfs/dbraw/zinc/30/91/99/940309199.db2.gz GPZOHLPZMWXDPU-MVGZEHJDSA-N 1 3 324.469 0.601 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCn2cccn2)CCC1 ZINC001268797612 940364282 /nfs/dbraw/zinc/36/42/82/940364282.db2.gz UPFULBRFIWTQPR-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001268919877 940405666 /nfs/dbraw/zinc/40/56/66/940405666.db2.gz BGUICVOTKRMAMP-HNNXBMFYSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268914525 940408018 /nfs/dbraw/zinc/40/80/18/940408018.db2.gz CKBPYXDBRYFBHC-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268914525 940408021 /nfs/dbraw/zinc/40/80/21/940408021.db2.gz CKBPYXDBRYFBHC-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO CN(CCC[NH2+]CC(=O)NC(C)(C)C)C(=O)CN1CCCC1 ZINC001268950290 940416482 /nfs/dbraw/zinc/41/64/82/940416482.db2.gz RMBRZKGSRDTISA-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246135563 945341422 /nfs/dbraw/zinc/34/14/22/945341422.db2.gz ZRLIJFVKGLVCSH-DVOMOZLQSA-N 1 3 311.426 0.171 20 0 DCADHO Cn1nncc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001279999169 940721983 /nfs/dbraw/zinc/72/19/83/940721983.db2.gz FRXPRPCSECCUFP-HIFRSBDPSA-N 1 3 320.441 0.238 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001270077719 940829975 /nfs/dbraw/zinc/82/99/75/940829975.db2.gz VFYPBOVBUZORFX-GJZGRUSLSA-N 1 3 322.457 0.445 20 0 DCADHO CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)C1=O ZINC001270173561 940849368 /nfs/dbraw/zinc/84/93/68/940849368.db2.gz CUNQYSHQLIHGTH-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001270617084 940936091 /nfs/dbraw/zinc/93/60/91/940936091.db2.gz DVIFDNLCPHEBIL-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001270671647 940962536 /nfs/dbraw/zinc/96/25/36/940962536.db2.gz BIXYMEGICOTQEW-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001270671647 940962539 /nfs/dbraw/zinc/96/25/39/940962539.db2.gz BIXYMEGICOTQEW-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001271931085 941482155 /nfs/dbraw/zinc/48/21/55/941482155.db2.gz GTACJNANOBLCIL-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO Cc1nccnc1CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001482572077 941512731 /nfs/dbraw/zinc/51/27/31/941512731.db2.gz WZVJHYSYXLCYJC-LSDHHAIUSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1nccnc1CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001482572077 941512734 /nfs/dbraw/zinc/51/27/34/941512734.db2.gz WZVJHYSYXLCYJC-LSDHHAIUSA-N 1 3 319.453 0.967 20 0 DCADHO Cn1cncc1CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001482660915 941613052 /nfs/dbraw/zinc/61/30/52/941613052.db2.gz AXKMBCUHQVOXSZ-GOEBONIOSA-N 1 3 319.453 0.795 20 0 DCADHO CCNC(=O)CN1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001482667954 941616070 /nfs/dbraw/zinc/61/60/70/941616070.db2.gz ULERUSHNQYVBBD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001482667954 941616071 /nfs/dbraw/zinc/61/60/71/941616071.db2.gz ULERUSHNQYVBBD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482767097 941654821 /nfs/dbraw/zinc/65/48/21/941654821.db2.gz KTIQVOUQOPEDLI-CJNGLKHVSA-N 1 3 317.449 0.922 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)NC1CC1)C(=O)[C@H]1CCCCN1C ZINC001482933668 941716195 /nfs/dbraw/zinc/71/61/95/941716195.db2.gz LVPSKZMJXCNMNW-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001483007890 941773699 /nfs/dbraw/zinc/77/36/99/941773699.db2.gz FSCCVLHJIIWIAT-SXEWGOIYSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001483007890 941773702 /nfs/dbraw/zinc/77/37/02/941773702.db2.gz FSCCVLHJIIWIAT-SXEWGOIYSA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001483098514 941843513 /nfs/dbraw/zinc/84/35/13/941843513.db2.gz RHISTHOGZFDWTQ-MRYXHSKJSA-N 1 3 310.442 0.243 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001483132742 941893769 /nfs/dbraw/zinc/89/37/69/941893769.db2.gz DWDAUANACKAFDG-GDBMZVCRSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@H](C[NH2+]C[C@H]1CCc2ncnn21)NC(=O)CN(C)C1CCC1 ZINC001483138284 941903805 /nfs/dbraw/zinc/90/38/05/941903805.db2.gz VUMWSWKQCBQUAL-TZMCWYRMSA-N 1 3 320.441 0.344 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCN1CCCC1=O ZINC001483297013 942247084 /nfs/dbraw/zinc/24/70/84/942247084.db2.gz VCBBRFYVMSEMBO-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001127060840 942406785 /nfs/dbraw/zinc/40/67/85/942406785.db2.gz INFDOWDDTKEAET-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001127060840 942406787 /nfs/dbraw/zinc/40/67/87/942406787.db2.gz INFDOWDDTKEAET-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@H]2CCCNC2=O)C2CC2)CCC1 ZINC001483567344 942426667 /nfs/dbraw/zinc/42/66/67/942426667.db2.gz ZYASXCAKBIHXLA-KBPBESRZSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083669072 942449899 /nfs/dbraw/zinc/44/98/99/942449899.db2.gz SGYYQXHENMBULY-SJORKVTESA-N 1 3 319.449 0.976 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001413107843 942508712 /nfs/dbraw/zinc/50/87/12/942508712.db2.gz OQKQJRZXMHRXPH-YPMHNXCESA-N 1 3 321.425 0.318 20 0 DCADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC001413222995 942571442 /nfs/dbraw/zinc/57/14/42/942571442.db2.gz LHOBIQYPKJYNEJ-HWOWSKLDSA-N 1 3 323.441 0.262 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1 ZINC001484006521 943076664 /nfs/dbraw/zinc/07/66/64/943076664.db2.gz HRIVROQOEVSBQB-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)(C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1)N1CCCC1 ZINC001484004738 943077254 /nfs/dbraw/zinc/07/72/54/943077254.db2.gz CNSOUIFPDJJINH-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(CCn2cccn2)C1 ZINC001484065498 943131812 /nfs/dbraw/zinc/13/18/12/943131812.db2.gz WMVMRYMCBQUUPS-MRXNPFEDSA-N 1 3 307.442 0.806 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(CCn2cccn2)C1 ZINC001484065498 943131814 /nfs/dbraw/zinc/13/18/14/943131814.db2.gz WMVMRYMCBQUUPS-MRXNPFEDSA-N 1 3 307.442 0.806 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001484376497 943340518 /nfs/dbraw/zinc/34/05/18/943340518.db2.gz ZYAUCEUZIQGFPY-GXTWGEPZSA-N 1 3 322.457 0.639 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001484390742 943346490 /nfs/dbraw/zinc/34/64/90/943346490.db2.gz HNJRSNMBVCRMTI-APIJFGDWSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001484390742 943346497 /nfs/dbraw/zinc/34/64/97/943346497.db2.gz HNJRSNMBVCRMTI-APIJFGDWSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484641280 943489409 /nfs/dbraw/zinc/48/94/09/943489409.db2.gz SREFQGVAYPDOQL-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484641280 943489413 /nfs/dbraw/zinc/48/94/13/943489413.db2.gz SREFQGVAYPDOQL-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCOCCO)CC1)N(C)C ZINC001484718455 943534571 /nfs/dbraw/zinc/53/45/71/943534571.db2.gz PQNXNJXDLOCHIS-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCOCCO)CC1)N(C)C ZINC001484718455 943534573 /nfs/dbraw/zinc/53/45/73/943534573.db2.gz PQNXNJXDLOCHIS-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001490897127 943584810 /nfs/dbraw/zinc/58/48/10/943584810.db2.gz DEPZDJIGMODFAH-MGPQQGTHSA-N 1 3 324.469 0.622 20 0 DCADHO COc1ccc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cn1 ZINC001484896946 943620176 /nfs/dbraw/zinc/62/01/76/943620176.db2.gz FBGKDUXAYJZAEK-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001490949836 943686145 /nfs/dbraw/zinc/68/61/45/943686145.db2.gz QRYIVWIJJGNAMO-SHTZXODSSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001485159145 943731428 /nfs/dbraw/zinc/73/14/28/943731428.db2.gz UXMWWGOMKZDQBF-STQMWFEESA-N 1 3 324.469 0.574 20 0 DCADHO CN(CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)CC(C)(C)C ZINC001485260575 943775892 /nfs/dbraw/zinc/77/58/92/943775892.db2.gz MJPMTUNXBQLSQK-UHFFFAOYSA-N 1 3 314.474 0.524 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001491251704 943866979 /nfs/dbraw/zinc/86/69/79/943866979.db2.gz ZWEBLHJIXOUPFA-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)N(C)C ZINC001491305489 943904743 /nfs/dbraw/zinc/90/47/43/943904743.db2.gz GGKUGJOKKXGVPE-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)N(C)C ZINC001491305489 943904745 /nfs/dbraw/zinc/90/47/45/943904745.db2.gz GGKUGJOKKXGVPE-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCC(N)=O)CCCCC2)CC[N@@H+]1C ZINC001485451488 943943497 /nfs/dbraw/zinc/94/34/97/943943497.db2.gz WFYXMOUIEOWQPD-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCC(N)=O)CCCCC2)CC[N@H+]1C ZINC001485451488 943943504 /nfs/dbraw/zinc/94/35/04/943943504.db2.gz WFYXMOUIEOWQPD-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001485623354 944045609 /nfs/dbraw/zinc/04/56/09/944045609.db2.gz IXKGKLBIQWTEND-TUVASFSCSA-N 1 3 324.469 0.147 20 0 DCADHO CN(C)CC[N@@H+]1CCC[C@]2(CN(CCn3ccnc3)CCO2)C1 ZINC001276463271 944180673 /nfs/dbraw/zinc/18/06/73/944180673.db2.gz ICQKQRRVQJUFHT-QGZVFWFLSA-N 1 3 321.469 0.612 20 0 DCADHO CN(C)CC[N@H+]1CCC[C@]2(CN(CCn3ccnc3)CCO2)C1 ZINC001276463271 944180676 /nfs/dbraw/zinc/18/06/76/944180676.db2.gz ICQKQRRVQJUFHT-QGZVFWFLSA-N 1 3 321.469 0.612 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CCN(C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001276496411 944191942 /nfs/dbraw/zinc/19/19/42/944191942.db2.gz BKQGSYQYZVVHOF-INIZCTEOSA-N 1 3 322.497 0.814 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CCN(C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001276496411 944191950 /nfs/dbraw/zinc/19/19/50/944191950.db2.gz BKQGSYQYZVVHOF-INIZCTEOSA-N 1 3 322.497 0.814 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CC[NH+](C[C@H]1CCCN(C)C1)CC2 ZINC001276496411 944191961 /nfs/dbraw/zinc/19/19/61/944191961.db2.gz BKQGSYQYZVVHOF-INIZCTEOSA-N 1 3 322.497 0.814 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CC[N@H+](C[C@@H]3CCCN(C)C3)[C@@H]2C1 ZINC001276497096 944193515 /nfs/dbraw/zinc/19/35/15/944193515.db2.gz RWSHSOIRGPWKNE-OWCLPIDISA-N 1 3 308.470 0.423 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CC[N@@H+](C[C@@H]3CCCN(C)C3)[C@@H]2C1 ZINC001276497096 944193519 /nfs/dbraw/zinc/19/35/19/944193519.db2.gz RWSHSOIRGPWKNE-OWCLPIDISA-N 1 3 308.470 0.423 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CCN(C[C@@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001276497096 944193523 /nfs/dbraw/zinc/19/35/23/944193523.db2.gz RWSHSOIRGPWKNE-OWCLPIDISA-N 1 3 308.470 0.423 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CCN(C[C@@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001276497096 944193526 /nfs/dbraw/zinc/19/35/26/944193526.db2.gz RWSHSOIRGPWKNE-OWCLPIDISA-N 1 3 308.470 0.423 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCCN2Cc2cc[nH]c(=O)c2)C1=O ZINC001272823227 944259165 /nfs/dbraw/zinc/25/91/65/944259165.db2.gz AYJLSWBBIYBIDU-QGZVFWFLSA-N 1 3 318.421 0.916 20 0 DCADHO C[C@H]([NH2+]CCCO)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001276779047 944296955 /nfs/dbraw/zinc/29/69/55/944296955.db2.gz PVDOEJYUNHKRSF-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001485892737 944386483 /nfs/dbraw/zinc/38/64/83/944386483.db2.gz DHXYCMCTPLPEAH-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485892737 944386490 /nfs/dbraw/zinc/38/64/90/944386490.db2.gz DHXYCMCTPLPEAH-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485944033 944424228 /nfs/dbraw/zinc/42/42/28/944424228.db2.gz JNWYFDBDMRUTOR-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)N[C@H](C)C(N)=O ZINC001485959312 944448128 /nfs/dbraw/zinc/44/81/28/944448128.db2.gz OXTYKIKGYBGKNX-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO Cc1cc(F)ccc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486062282 944523553 /nfs/dbraw/zinc/52/35/53/944523553.db2.gz UVTNUCJTOPJKHG-ZBFHGGJFSA-N 1 3 323.412 0.653 20 0 DCADHO Cc1cc(F)ccc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486062282 944523557 /nfs/dbraw/zinc/52/35/57/944523557.db2.gz UVTNUCJTOPJKHG-ZBFHGGJFSA-N 1 3 323.412 0.653 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001486085641 944547090 /nfs/dbraw/zinc/54/70/90/944547090.db2.gz RZWJCBFEHKMAOD-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001486240028 944665232 /nfs/dbraw/zinc/66/52/32/944665232.db2.gz IHDIGUGULKDWOO-IHRRRGAJSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC001486240028 944665237 /nfs/dbraw/zinc/66/52/37/944665237.db2.gz IHDIGUGULKDWOO-IHRRRGAJSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN1CCN(CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001316957758 944682226 /nfs/dbraw/zinc/68/22/26/944682226.db2.gz HIEFPHPBAKZZDE-QGZVFWFLSA-N 1 3 322.497 0.862 20 0 DCADHO C[C@H](C(=O)N(C)C[C@H](O)CNCCF)[NH+]1CCCCCC1 ZINC001486303833 944747679 /nfs/dbraw/zinc/74/76/79/944747679.db2.gz XDBOQFPGSVKZMI-ZIAGYGMSSA-N 1 3 303.422 0.629 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001317161792 944829356 /nfs/dbraw/zinc/82/93/56/944829356.db2.gz OEHZXMDWTWYOFN-INIZCTEOSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C)C(N)=O ZINC001486411575 944863468 /nfs/dbraw/zinc/86/34/68/944863468.db2.gz NYCKRYPLZHHLLL-NWDGAFQWSA-N 1 3 312.458 0.323 20 0 DCADHO CN(CCOCC[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCCN1C ZINC001486493310 944925712 /nfs/dbraw/zinc/92/57/12/944925712.db2.gz SQSWVTUTTVZQNC-AGLBCWCQSA-N 1 3 303.834 0.898 20 0 DCADHO COCCCN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277700766 944950903 /nfs/dbraw/zinc/95/09/03/944950903.db2.gz LNDNCFVYVHGXQD-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO c1cncc([C@@H]2NCC[C@H]2C[NH2+]C2C[C@@H]3COC[C@H](C2)N3)c1 ZINC001246342301 945388269 /nfs/dbraw/zinc/38/82/69/945388269.db2.gz SGPGQGXYJZLPLE-MKXAEBJUSA-N 1 3 302.422 0.841 20 0 DCADHO c1nc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)cn1Cc1ccncc1 ZINC001246393118 945401397 /nfs/dbraw/zinc/40/13/97/945401397.db2.gz UHWBDOFTKOZLBJ-OAHLLOKOSA-N 1 3 312.421 0.510 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246625346 945444500 /nfs/dbraw/zinc/44/45/00/945444500.db2.gz GLNMVPAFIZZWBH-BARDWOONSA-N 1 3 309.454 0.990 20 0 DCADHO O=C1NCCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C12CNC2 ZINC001246636608 945449024 /nfs/dbraw/zinc/44/90/24/945449024.db2.gz ONJFMLRZIPFEKN-CVEARBPZSA-N 1 3 314.433 0.124 20 0 DCADHO c1ncc(O[C@@H]2C[C@@H]3CN([C@@H]4CCC[NH2+]C4)CCN3C2)cn1 ZINC001246709451 945467487 /nfs/dbraw/zinc/46/74/87/945467487.db2.gz OGPJPQOGCBELFB-RBSFLKMASA-N 1 3 303.410 0.366 20 0 DCADHO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+]([C@H]1CCCNC1)C2 ZINC001246740710 945478985 /nfs/dbraw/zinc/47/89/85/945478985.db2.gz QWNREWWNXIWAHO-VYDXJSESSA-N 1 3 309.454 0.849 20 0 DCADHO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+]([C@H]1CCCNC1)C2 ZINC001246740710 945478989 /nfs/dbraw/zinc/47/89/89/945478989.db2.gz QWNREWWNXIWAHO-VYDXJSESSA-N 1 3 309.454 0.849 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]21)NC1CCC1 ZINC001246743829 945481666 /nfs/dbraw/zinc/48/16/66/945481666.db2.gz BFDCZEDOFFASJQ-JHNDHUHGSA-N 1 3 321.465 0.992 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H]1CCN(Cc2ccccc2)C1 ZINC001246903614 945516710 /nfs/dbraw/zinc/51/67/10/945516710.db2.gz KEXRFCIFVPLXJX-PMPSAXMXSA-N 1 3 303.406 0.836 20 0 DCADHO C[C@H]1C[NH2+]CCN1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248312254 945594771 /nfs/dbraw/zinc/59/47/71/945594771.db2.gz LNCMVHXHRFFONE-NSHDSACASA-N 1 3 314.393 0.571 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001319472814 945597193 /nfs/dbraw/zinc/59/71/93/945597193.db2.gz LETCDNBSQSKGOU-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC001319855936 945680785 /nfs/dbraw/zinc/68/07/85/945680785.db2.gz LRYUBEQVKIBZLJ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC001319855936 945680787 /nfs/dbraw/zinc/68/07/87/945680787.db2.gz LRYUBEQVKIBZLJ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[N@H+](CCO)CCCNC[C@@H](O)COc1cccc(F)c1 ZINC001250836752 945681155 /nfs/dbraw/zinc/68/11/55/945681155.db2.gz WJHKIYXFIDPTFF-CQSZACIVSA-N 1 3 300.374 0.469 20 0 DCADHO C[N@@H+](CCO)CCCNC[C@@H](O)COc1cccc(F)c1 ZINC001250836752 945681159 /nfs/dbraw/zinc/68/11/59/945681159.db2.gz WJHKIYXFIDPTFF-CQSZACIVSA-N 1 3 300.374 0.469 20 0 DCADHO CC(C)(C)CN1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251046039 945727465 /nfs/dbraw/zinc/72/74/65/945727465.db2.gz MZICGFYTALCMEB-MRXNPFEDSA-N 1 3 313.486 0.780 20 0 DCADHO C[N@H+](CCO)CCCNC[C@H](O)COc1ccc(F)cc1 ZINC001251953072 945819872 /nfs/dbraw/zinc/81/98/72/945819872.db2.gz VQTUSQVNHUJNIO-AWEZNQCLSA-N 1 3 300.374 0.469 20 0 DCADHO C[N@@H+](CCO)CCCNC[C@H](O)COc1ccc(F)cc1 ZINC001251953072 945819877 /nfs/dbraw/zinc/81/98/77/945819877.db2.gz VQTUSQVNHUJNIO-AWEZNQCLSA-N 1 3 300.374 0.469 20 0 DCADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)CO)cc2)CC1 ZINC001252070581 945868887 /nfs/dbraw/zinc/86/88/87/945868887.db2.gz NZCXVECFFPBULK-KRWDZBQOSA-N 1 3 307.438 0.267 20 0 DCADHO COc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001252888721 946022584 /nfs/dbraw/zinc/02/25/84/946022584.db2.gz QOQZHJGKKAPSCN-ZNMIVQPWSA-N 1 3 306.406 0.928 20 0 DCADHO COc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001252888721 946022593 /nfs/dbraw/zinc/02/25/93/946022593.db2.gz QOQZHJGKKAPSCN-ZNMIVQPWSA-N 1 3 306.406 0.928 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320890807 946057657 /nfs/dbraw/zinc/05/76/57/946057657.db2.gz AEQOWHUIAQOQFK-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320890807 946057669 /nfs/dbraw/zinc/05/76/69/946057669.db2.gz AEQOWHUIAQOQFK-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001410229528 946067386 /nfs/dbraw/zinc/06/73/86/946067386.db2.gz JDNVEOUAYPLGGY-XUXIUFHCSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001410232114 946069860 /nfs/dbraw/zinc/06/98/60/946069860.db2.gz YAAXRDXTKMODAU-TUVASFSCSA-N 1 3 324.469 0.288 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001410234899 946073751 /nfs/dbraw/zinc/07/37/51/946073751.db2.gz IXPFZOCXTYEKGH-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001410242723 946083602 /nfs/dbraw/zinc/08/36/02/946083602.db2.gz RLPMTBDPMLDWGF-IHRRRGAJSA-N 1 3 322.453 0.234 20 0 DCADHO CC[NH+](CC)C[C@H](O)CNc1cc(N2CCOCC2)nc(C)n1 ZINC001253178094 946084756 /nfs/dbraw/zinc/08/47/56/946084756.db2.gz XMANRJBGZLDLCG-CQSZACIVSA-N 1 3 323.441 0.736 20 0 DCADHO CCN1CC[C@@]2(CN(C[C@H](O)C[NH+](CC)CC)C[C@@H]2C)C1=O ZINC001253185223 946087218 /nfs/dbraw/zinc/08/72/18/946087218.db2.gz OSXVVTKGDQJTGQ-UXLLHSPISA-N 1 3 311.470 0.879 20 0 DCADHO Cc1nc(NC[C@H](O)C[NH2+]C(C)(C)C)cc(N2CCOCC2)n1 ZINC001253386011 946111332 /nfs/dbraw/zinc/11/13/32/946111332.db2.gz ZMWDQQDTPUIFHB-ZDUSSCGKSA-N 1 3 323.441 0.783 20 0 DCADHO CN1CCC[C@H](NS(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001254498366 946398753 /nfs/dbraw/zinc/39/87/53/946398753.db2.gz XLFLMUJDXQMZMW-AWEZNQCLSA-N 1 3 311.451 0.950 20 0 DCADHO COCCOCCOCCOCCN[C@@H]1CCC[N@H+](C)CC1 ZINC001254507208 946402147 /nfs/dbraw/zinc/40/21/47/946402147.db2.gz JTGGCCJQGPRROY-MRXNPFEDSA-N 1 3 318.458 0.757 20 0 DCADHO COCCOCCOCCOCCN[C@@H]1CCC[N@@H+](C)CC1 ZINC001254507208 946402155 /nfs/dbraw/zinc/40/21/55/946402155.db2.gz JTGGCCJQGPRROY-MRXNPFEDSA-N 1 3 318.458 0.757 20 0 DCADHO C[N@@H+]1CCC[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001255483969 946515933 /nfs/dbraw/zinc/51/59/33/946515933.db2.gz UDOIBJAQUMPBLD-CYBMUJFWSA-N 1 3 315.421 0.808 20 0 DCADHO C[N@H+]1CCC[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001255483969 946515939 /nfs/dbraw/zinc/51/59/39/946515939.db2.gz UDOIBJAQUMPBLD-CYBMUJFWSA-N 1 3 315.421 0.808 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001256768757 946660344 /nfs/dbraw/zinc/66/03/44/946660344.db2.gz TZYOJGVJTSXPGG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO [NH3+]C[C@H](O)CNC1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256877323 946672425 /nfs/dbraw/zinc/67/24/25/946672425.db2.gz UZPUYDNJDCXBJQ-NSHDSACASA-N 1 3 318.343 0.978 20 0 DCADHO CN(C)Cc1ccsc1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001410636401 946689125 /nfs/dbraw/zinc/68/91/25/946689125.db2.gz DZXBMXZYXYCLQI-NSHDSACASA-N 1 3 303.403 0.460 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](C)CN)C[C@H]1C(=O)OC ZINC001257725206 946759128 /nfs/dbraw/zinc/75/91/28/946759128.db2.gz BIHSTYQCNLQTLA-UMSGYPCISA-N 1 3 300.399 0.644 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](C)CN)C[C@H]1C(=O)OC ZINC001257725206 946759134 /nfs/dbraw/zinc/75/91/34/946759134.db2.gz BIHSTYQCNLQTLA-UMSGYPCISA-N 1 3 300.399 0.644 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](N(C)C[C@@H](C)C[NH3+])C[C@H]1C(=O)OC ZINC001257725206 946759143 /nfs/dbraw/zinc/75/91/43/946759143.db2.gz BIHSTYQCNLQTLA-UMSGYPCISA-N 1 3 300.399 0.644 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001410903290 947109756 /nfs/dbraw/zinc/10/97/56/947109756.db2.gz PXHHGWMSXFOZIL-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001410903290 947109759 /nfs/dbraw/zinc/10/97/59/947109759.db2.gz PXHHGWMSXFOZIL-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001410916063 947111871 /nfs/dbraw/zinc/11/18/71/947111871.db2.gz LGWUEUBUJXGNGA-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001410916063 947111877 /nfs/dbraw/zinc/11/18/77/947111877.db2.gz LGWUEUBUJXGNGA-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C)[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001323749685 947191344 /nfs/dbraw/zinc/19/13/44/947191344.db2.gz XEWYATYBUMJJQX-KBPBESRZSA-N 1 3 314.474 0.489 20 0 DCADHO COC(=O)[C@H](C)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273414698 947227171 /nfs/dbraw/zinc/22/71/71/947227171.db2.gz HBHRUVMFUDFKGS-CJNGLKHVSA-N 1 3 311.426 0.282 20 0 DCADHO COC(=O)[C@H](C)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273414698 947227182 /nfs/dbraw/zinc/22/71/82/947227182.db2.gz HBHRUVMFUDFKGS-CJNGLKHVSA-N 1 3 311.426 0.282 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC001411096736 947326352 /nfs/dbraw/zinc/32/63/52/947326352.db2.gz IOAQHAHMWWONSA-AWEZNQCLSA-N 1 3 322.457 0.447 20 0 DCADHO Cn1cc(CC[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)cn1 ZINC001324273929 947374813 /nfs/dbraw/zinc/37/48/13/947374813.db2.gz RDNHSOFNFRZUJF-MRXNPFEDSA-N 1 3 319.453 0.639 20 0 DCADHO C[C@H](NC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001411225907 947513327 /nfs/dbraw/zinc/51/33/27/947513327.db2.gz SJFILDVUGYTJQT-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001262064877 947547938 /nfs/dbraw/zinc/54/79/38/947547938.db2.gz LDSVRVYSWDJQAB-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO COc1cc(NCCCNC[C@H](O)C[NH+]2CCCC2)ncn1 ZINC001262575613 947732664 /nfs/dbraw/zinc/73/26/64/947732664.db2.gz UMXHGHGHAJZSRE-ZDUSSCGKSA-N 1 3 309.414 0.334 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001325345024 947761243 /nfs/dbraw/zinc/76/12/43/947761243.db2.gz ADSYZDPXIGIJJT-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179476349 947848329 /nfs/dbraw/zinc/84/83/29/947848329.db2.gz RZWJCBFEHKMAOD-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179472632 947849771 /nfs/dbraw/zinc/84/97/71/947849771.db2.gz QARZEAHISPNNCB-DYEKYZERSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179549726 947868444 /nfs/dbraw/zinc/86/84/44/947868444.db2.gz HPUXKNORDVOOLM-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001179609307 947875336 /nfs/dbraw/zinc/87/53/36/947875336.db2.gz NKKUNRMEJDGPQX-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001487782997 948272305 /nfs/dbraw/zinc/27/23/05/948272305.db2.gz FLMAEEMNHJEOBL-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001487782997 948272314 /nfs/dbraw/zinc/27/23/14/948272314.db2.gz FLMAEEMNHJEOBL-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CN1CCN(CCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001326796634 948280890 /nfs/dbraw/zinc/28/08/90/948280890.db2.gz ZSMDRZOHDGZNOB-QGZVFWFLSA-N 1 3 310.486 0.467 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001489234781 949653503 /nfs/dbraw/zinc/65/35/03/949653503.db2.gz UOVPAXICHJRMGY-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)C(N)=O ZINC001266077894 950332117 /nfs/dbraw/zinc/33/21/17/950332117.db2.gz XJBISVUHKUCODF-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)C(N)=O ZINC001266077894 950332134 /nfs/dbraw/zinc/33/21/34/950332134.db2.gz XJBISVUHKUCODF-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)CN1CCC(C)CC1 ZINC001490261054 950516616 /nfs/dbraw/zinc/51/66/16/950516616.db2.gz HCQQBUQMXPVAFC-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)CCCNC(=O)CN1CCC(C)CC1 ZINC001490261054 950516598 /nfs/dbraw/zinc/51/65/98/950516598.db2.gz HCQQBUQMXPVAFC-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC001330859358 950718758 /nfs/dbraw/zinc/71/87/58/950718758.db2.gz DNNBIHDFTAISOX-DZGCQCFKSA-N 1 3 320.437 0.129 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001330955748 950790445 /nfs/dbraw/zinc/79/04/45/950790445.db2.gz SZUTWFCONPHUFT-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001330955748 950790462 /nfs/dbraw/zinc/79/04/62/950790462.db2.gz SZUTWFCONPHUFT-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001365340355 950996064 /nfs/dbraw/zinc/99/60/64/950996064.db2.gz FPPIZDVELFHURD-YESZJQIVSA-N 1 3 314.470 0.535 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001365340355 950996076 /nfs/dbraw/zinc/99/60/76/950996076.db2.gz FPPIZDVELFHURD-YESZJQIVSA-N 1 3 314.470 0.535 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001490742835 951072500 /nfs/dbraw/zinc/07/25/00/951072500.db2.gz VGNVIONKVWMTDB-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(S(C)(=O)=O)CC3)[C@@H]2C1 ZINC001365618467 951329456 /nfs/dbraw/zinc/32/94/56/951329456.db2.gz GSZDMHVFJFYAIF-IACUBPJLSA-N 1 3 301.456 0.340 20 0 DCADHO Cc1nccn1CCCC[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001331960609 951411582 /nfs/dbraw/zinc/41/15/82/951411582.db2.gz UCFQPOOGJADNEA-INIZCTEOSA-N 1 3 309.458 0.170 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001332436967 951644948 /nfs/dbraw/zinc/64/49/48/951644948.db2.gz IWITXIAOQHFQKC-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](F)CC[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001332521849 951679382 /nfs/dbraw/zinc/67/93/82/951679382.db2.gz JMDLQCAJMIBVKQ-STQMWFEESA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCN1CCCC1=O ZINC001275150025 951975538 /nfs/dbraw/zinc/97/55/38/951975538.db2.gz UOIRZSPLIGFSDD-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)N2C[C@@H]1CCOC1 ZINC001275168260 951981858 /nfs/dbraw/zinc/98/18/58/951981858.db2.gz JGZVRUZXTDJISI-MWDXBVQZSA-N 1 3 319.449 0.792 20 0 DCADHO CN1CCC[N@H+](CCCNCc2cnc3n2CCOC3)CC1 ZINC001333617678 952117417 /nfs/dbraw/zinc/11/74/17/952117417.db2.gz UJOMQTKEYXXCQP-UHFFFAOYSA-N 1 3 307.442 0.531 20 0 DCADHO CN1CCC[N@@H+](CCCNCc2cnc3n2CCOC3)CC1 ZINC001333617678 952117421 /nfs/dbraw/zinc/11/74/21/952117421.db2.gz UJOMQTKEYXXCQP-UHFFFAOYSA-N 1 3 307.442 0.531 20 0 DCADHO CC(C)C[N@H+](C)CCCNC[C@@H](O)CN1CCN(C)CC1 ZINC001335461555 952539873 /nfs/dbraw/zinc/53/98/73/952539873.db2.gz XCBCWBGDYXZHEO-MRXNPFEDSA-N 1 3 300.491 0.162 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC[C@@H](O)CN1CCN(C)CC1 ZINC001335461555 952539876 /nfs/dbraw/zinc/53/98/76/952539876.db2.gz XCBCWBGDYXZHEO-MRXNPFEDSA-N 1 3 300.491 0.162 20 0 DCADHO O=C(NCCCCCC1CC[NH2+]CC1)NC[C@@H]1CNCCO1 ZINC001335568640 952557932 /nfs/dbraw/zinc/55/79/32/952557932.db2.gz POLVVEGPAIENCK-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336422277 952695619 /nfs/dbraw/zinc/69/56/19/952695619.db2.gz QLPZRXDPEPPZHW-SOUVJXGZSA-N 1 3 324.469 0.195 20 0 DCADHO C[NH+](C)CCC(=O)NCC1=CCN(C(=O)CN2CCCC2)CC1 ZINC001339586849 953104442 /nfs/dbraw/zinc/10/44/42/953104442.db2.gz GAISJTDFOGDQGL-UHFFFAOYSA-N 1 3 322.453 0.309 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001365919514 953410533 /nfs/dbraw/zinc/41/05/33/953410533.db2.gz DTYODLUTOHSSSG-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001366064184 953638261 /nfs/dbraw/zinc/63/82/61/953638261.db2.gz AONUHCWKSUFUBT-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001366064184 953638267 /nfs/dbraw/zinc/63/82/67/953638267.db2.gz AONUHCWKSUFUBT-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366097774 953679283 /nfs/dbraw/zinc/67/92/83/953679283.db2.gz IZZKRSBQGJXAMR-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001366112653 953701393 /nfs/dbraw/zinc/70/13/93/953701393.db2.gz RNBYTFBTVNFVKR-KBUPBQIOSA-N 1 3 313.442 0.103 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001366181718 953789537 /nfs/dbraw/zinc/78/95/37/953789537.db2.gz RUANCOJVLARHNP-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNC(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001283044884 953951659 /nfs/dbraw/zinc/95/16/59/953951659.db2.gz XICNFXXMLUPDEN-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNC(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001283044884 953951664 /nfs/dbraw/zinc/95/16/64/953951664.db2.gz XICNFXXMLUPDEN-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001366354676 954082546 /nfs/dbraw/zinc/08/25/46/954082546.db2.gz QZELHATZZCNFRT-DOMZBBRYSA-N 1 3 320.437 0.720 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NCC)C1 ZINC001366383737 954132682 /nfs/dbraw/zinc/13/26/82/954132682.db2.gz ABJSCCAFFLGDGV-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NCC)C1 ZINC001366383737 954132685 /nfs/dbraw/zinc/13/26/85/954132685.db2.gz ABJSCCAFFLGDGV-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001366407605 954161525 /nfs/dbraw/zinc/16/15/25/954161525.db2.gz GUOSJFJGNFVHFY-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001366415777 954169893 /nfs/dbraw/zinc/16/98/93/954169893.db2.gz RUEAYNPBAYWVLM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@H](O)CN(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001366573596 954446575 /nfs/dbraw/zinc/44/65/75/954446575.db2.gz IOGKOBCRSOJHNM-OAHLLOKOSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)CN1CCC[C@@H]1C)[NH+](C)C ZINC001349195663 954643335 /nfs/dbraw/zinc/64/33/35/954643335.db2.gz JBDCBKBSGNSSPW-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366687332 954649169 /nfs/dbraw/zinc/64/91/69/954649169.db2.gz GEWUERLHBIJNIJ-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001366768862 954807056 /nfs/dbraw/zinc/80/70/56/954807056.db2.gz PSMBERRSQGSNIO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001366768862 954807063 /nfs/dbraw/zinc/80/70/63/954807063.db2.gz PSMBERRSQGSNIO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@H]1CCN(C2CCC2)C1=O)C(=O)CCC[NH+](C)C ZINC001366770955 954813528 /nfs/dbraw/zinc/81/35/28/954813528.db2.gz BNNUORCEHJVDPP-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+]1CCC(OCC(=O)NCC[C@H]2CCN(CCF)C2)CC1 ZINC001366845475 954925783 /nfs/dbraw/zinc/92/57/83/954925783.db2.gz OBSNWYAOIMDASN-AWEZNQCLSA-N 1 3 315.433 0.895 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001350234051 955029086 /nfs/dbraw/zinc/02/90/86/955029086.db2.gz IUFAKKKHUSIBBU-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001350234051 955029098 /nfs/dbraw/zinc/02/90/98/955029098.db2.gz IUFAKKKHUSIBBU-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001367095564 955307061 /nfs/dbraw/zinc/30/70/61/955307061.db2.gz FLEMUSULWKMNPG-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@H](C)C(N)=O ZINC001367152310 955405969 /nfs/dbraw/zinc/40/59/69/955405969.db2.gz VNOXYVIULLMHAQ-DOMZBBRYSA-N 1 3 320.437 0.720 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC1CC1 ZINC001367225813 955482541 /nfs/dbraw/zinc/48/25/41/955482541.db2.gz BWKKBTBLQJBKSQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC1CC1 ZINC001367225813 955482547 /nfs/dbraw/zinc/48/25/47/955482547.db2.gz BWKKBTBLQJBKSQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H](C)C(=O)N(C)C ZINC001367237355 955501726 /nfs/dbraw/zinc/50/17/26/955501726.db2.gz AEOBLFZMONQBAI-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001367326736 955648553 /nfs/dbraw/zinc/64/85/53/955648553.db2.gz OWUINEDKSLMIQL-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001367326736 955648560 /nfs/dbraw/zinc/64/85/60/955648560.db2.gz OWUINEDKSLMIQL-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001285558409 955796151 /nfs/dbraw/zinc/79/61/51/955796151.db2.gz QKHLUSKJMPRUQB-WSNITJDQSA-N 1 3 322.453 0.211 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001285558409 955796154 /nfs/dbraw/zinc/79/61/54/955796154.db2.gz QKHLUSKJMPRUQB-WSNITJDQSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCNC[C@H]1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC001353548587 956100472 /nfs/dbraw/zinc/10/04/72/956100472.db2.gz LLEVGIOTWMIXGU-INIZCTEOSA-N 1 3 320.437 0.859 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN2CC[C@@H](C)C2)CC[N@@H+]1C ZINC001292813254 957158890 /nfs/dbraw/zinc/15/88/90/957158890.db2.gz UWMDZAAVBHZBJB-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN2CC[C@@H](C)C2)CC[N@H+]1C ZINC001292813254 957158900 /nfs/dbraw/zinc/15/89/00/957158900.db2.gz UWMDZAAVBHZBJB-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001294456510 957532951 /nfs/dbraw/zinc/53/29/51/957532951.db2.gz CURIAAJMORBFHO-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001294456510 957532955 /nfs/dbraw/zinc/53/29/55/957532955.db2.gz CURIAAJMORBFHO-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)CN1CCCC1 ZINC001367409747 957781358 /nfs/dbraw/zinc/78/13/58/957781358.db2.gz WADBSDIIRRTIRH-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)C[C@@H](CN[C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367422587 957797961 /nfs/dbraw/zinc/79/79/61/957797961.db2.gz GYVAQYFUJNJXJT-OCCSQVGLSA-N 1 3 312.458 0.323 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](C)C1 ZINC001367439037 957810105 /nfs/dbraw/zinc/81/01/05/957810105.db2.gz IQXNRVCEMQKUGW-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@H+](C)CCc1ccnn1C)C(=O)[C@H]1CCCCN1C ZINC001367526008 957967332 /nfs/dbraw/zinc/96/73/32/957967332.db2.gz ZDPOMWREOOBPNS-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CC[N@@H+](C)CCc1ccnn1C)C(=O)[C@H]1CCCCN1C ZINC001367526008 957967336 /nfs/dbraw/zinc/96/73/36/957967336.db2.gz ZDPOMWREOOBPNS-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO Cc1cnc(CNC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001367673150 958329785 /nfs/dbraw/zinc/32/97/85/958329785.db2.gz BNRMUPOCTMFJSV-RISCZKNCSA-N 1 3 306.410 0.919 20 0 DCADHO CCc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)c2ncn(C)n2)o1 ZINC001367673467 958331201 /nfs/dbraw/zinc/33/12/01/958331201.db2.gz YCHPSNBAQVKEGG-SECBINFHSA-N 1 3 306.370 0.582 20 0 DCADHO Cc1nnc(CC(=O)N[C@H](C)C[NH2+]Cc2cncc(F)c2)[nH]1 ZINC001367673629 958331281 /nfs/dbraw/zinc/33/12/81/958331281.db2.gz VHTTYSREEOYLEV-SECBINFHSA-N 1 3 306.345 0.484 20 0 DCADHO Cc1nc(CC(=O)N[C@H](C)C[NH2+]Cc2cncc(F)c2)n[nH]1 ZINC001367673629 958331289 /nfs/dbraw/zinc/33/12/89/958331289.db2.gz VHTTYSREEOYLEV-SECBINFHSA-N 1 3 306.345 0.484 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)c1ccc(N(C)C)cc1F)C(N)=O ZINC001367673796 958331748 /nfs/dbraw/zinc/33/17/48/958331748.db2.gz ACFYWWITGFZGRC-QMTHXVAHSA-N 1 3 324.400 0.864 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367757648 958511670 /nfs/dbraw/zinc/51/16/70/958511670.db2.gz VVODPOIYSSOXPY-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367757648 958511682 /nfs/dbraw/zinc/51/16/82/958511682.db2.gz VVODPOIYSSOXPY-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001367774013 958548993 /nfs/dbraw/zinc/54/89/93/958548993.db2.gz GDWVJGWXFGNZAE-KBPBESRZSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001298444380 958605816 /nfs/dbraw/zinc/60/58/16/958605816.db2.gz WAQIZMKPISTSFG-SNAWJCMRSA-N 1 3 322.453 0.211 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)NC(C)(C)C ZINC001376848857 958977357 /nfs/dbraw/zinc/97/73/57/958977357.db2.gz WNOYETGCJGAFGV-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)NC(C)(C)C ZINC001376848857 958977366 /nfs/dbraw/zinc/97/73/66/958977366.db2.gz WNOYETGCJGAFGV-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001491637415 958987748 /nfs/dbraw/zinc/98/77/48/958987748.db2.gz JWVUKIHAKDQFEA-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001491637415 958987758 /nfs/dbraw/zinc/98/77/58/958987758.db2.gz JWVUKIHAKDQFEA-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)[NH+]1CCCC1 ZINC001376885751 959066109 /nfs/dbraw/zinc/06/61/09/959066109.db2.gz WNWJLWNMPBTMPQ-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COC)CC1 ZINC001376916089 959127358 /nfs/dbraw/zinc/12/73/58/959127358.db2.gz YIWMKXLVDKXBCR-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COC)CC1 ZINC001376916089 959127375 /nfs/dbraw/zinc/12/73/75/959127375.db2.gz YIWMKXLVDKXBCR-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001376941056 959178592 /nfs/dbraw/zinc/17/85/92/959178592.db2.gz MEAZDSSPLSJLGU-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491836700 959285285 /nfs/dbraw/zinc/28/52/85/959285285.db2.gz AGLUAQMECCGYTA-LBPRGKRZSA-N 1 3 321.425 0.305 20 0 DCADHO Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)CN2CCCC2)cn1 ZINC001377112600 959488774 /nfs/dbraw/zinc/48/87/74/959488774.db2.gz UDQRUZZROJPUFM-ZDUSSCGKSA-N 1 3 305.426 0.865 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001480639015 959552071 /nfs/dbraw/zinc/55/20/71/959552071.db2.gz YAAPNKIITMICRC-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368428886 959849964 /nfs/dbraw/zinc/84/99/64/959849964.db2.gz SCKFOLLSLRWHCN-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001368484764 959930243 /nfs/dbraw/zinc/93/02/43/959930243.db2.gz HDOYEESBWQFJIG-UHFFFAOYSA-N 1 3 322.453 0.237 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@H+](C)CCn2cncn2)CCC1 ZINC001316829530 960010147 /nfs/dbraw/zinc/01/01/47/960010147.db2.gz HGHTXYVBKYLSCI-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@@H+](C)CCn2cncn2)CCC1 ZINC001316829530 960010163 /nfs/dbraw/zinc/01/01/63/960010163.db2.gz HGHTXYVBKYLSCI-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001377408016 960042454 /nfs/dbraw/zinc/04/24/54/960042454.db2.gz FJTLZDZBQPQMPC-QLFBSQMISA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001377408016 960042465 /nfs/dbraw/zinc/04/24/65/960042465.db2.gz FJTLZDZBQPQMPC-QLFBSQMISA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001368575975 960051714 /nfs/dbraw/zinc/05/17/14/960051714.db2.gz IEQMEGKIKKMHJX-KGLIPLIRSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001368589313 960065718 /nfs/dbraw/zinc/06/57/18/960065718.db2.gz KYRQXUNUIGDZGZ-YDHLFZDLSA-N 1 3 322.457 0.623 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC1CC1 ZINC001368641921 960112564 /nfs/dbraw/zinc/11/25/64/960112564.db2.gz CDBUJUBJMFWCKP-NWANDNLSSA-N 1 3 322.453 0.328 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCn2cncn2)[C@@H](C)C1 ZINC001368668030 960139674 /nfs/dbraw/zinc/13/96/74/960139674.db2.gz PRPFXOAETGFOMV-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cncn1C ZINC001368735701 960209904 /nfs/dbraw/zinc/20/99/04/960209904.db2.gz CZYJIIJIIFWIRL-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cncn1 ZINC001368793619 960279043 /nfs/dbraw/zinc/27/90/43/960279043.db2.gz UYOZLKNYXKAZIR-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cncn1 ZINC001368793619 960279052 /nfs/dbraw/zinc/27/90/52/960279052.db2.gz UYOZLKNYXKAZIR-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC(=O)NC ZINC001378291123 960512301 /nfs/dbraw/zinc/51/23/01/960512301.db2.gz ILYFSQOMLJALJH-OAHLLOKOSA-N 1 3 320.437 0.592 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001378304158 960536982 /nfs/dbraw/zinc/53/69/82/960536982.db2.gz QFSWNKJDPRDRMJ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)[C@H](C)C(N)=O)CC1)N(C)C ZINC001377794692 960673520 /nfs/dbraw/zinc/67/35/20/960673520.db2.gz BTWCFXAEVDPIBM-OCCSQVGLSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)[C@H](C)C(N)=O)CC1)N(C)C ZINC001377794692 960673530 /nfs/dbraw/zinc/67/35/30/960673530.db2.gz BTWCFXAEVDPIBM-OCCSQVGLSA-N 1 3 312.458 0.371 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001377825297 960739340 /nfs/dbraw/zinc/73/93/40/960739340.db2.gz ZOTKRDIFGRRBNE-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378775547 961453818 /nfs/dbraw/zinc/45/38/18/961453818.db2.gz MIKWQUZGFXKAJY-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CN1CCC(C)CC1 ZINC001378840055 961582651 /nfs/dbraw/zinc/58/26/51/961582651.db2.gz WACJOARITLMYRK-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001378204129 961658988 /nfs/dbraw/zinc/65/89/88/961658988.db2.gz WKJSEEAZYSPQSZ-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001378920281 961709569 /nfs/dbraw/zinc/70/95/69/961709569.db2.gz UHDAYXAZYPMGEU-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCC1CCN(C(=O)CC[NH+](C)C)CC1)[C@H]1CCNC1=O ZINC001378923181 961711024 /nfs/dbraw/zinc/71/10/24/961711024.db2.gz XKILIUXFIZWSMO-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001378928372 961718001 /nfs/dbraw/zinc/71/80/01/961718001.db2.gz TZUKPRNFUROPAC-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001378928374 961718878 /nfs/dbraw/zinc/71/88/78/961718878.db2.gz TZUKPRNFUROPAC-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC001379732642 961883632 /nfs/dbraw/zinc/88/36/32/961883632.db2.gz ZVMHPUVLJASEPO-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001363804078 961921407 /nfs/dbraw/zinc/92/14/07/961921407.db2.gz PDEHXTOYPMXFHD-HRCADAONSA-N 1 3 305.422 0.500 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001363804078 961921412 /nfs/dbraw/zinc/92/14/12/961921412.db2.gz PDEHXTOYPMXFHD-HRCADAONSA-N 1 3 305.422 0.500 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001379056082 961989610 /nfs/dbraw/zinc/98/96/10/961989610.db2.gz LMBSGLYKXMDBFU-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001380166257 962807126 /nfs/dbraw/zinc/80/71/26/962807126.db2.gz GWYKMCGPCMRPBO-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001380167246 962811337 /nfs/dbraw/zinc/81/13/37/962811337.db2.gz QOHQZINXVUSEAQ-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001364318154 962887332 /nfs/dbraw/zinc/88/73/32/962887332.db2.gz VWCUPPGZYZIICI-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001364318154 962887344 /nfs/dbraw/zinc/88/73/44/962887344.db2.gz VWCUPPGZYZIICI-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001380269616 962961214 /nfs/dbraw/zinc/96/12/14/962961214.db2.gz KKEQAODFLOOTJM-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001379467720 962988793 /nfs/dbraw/zinc/98/87/93/962988793.db2.gz QFMMLRHOZCSCER-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCN(C)C2=O)C1 ZINC001447356548 1013393526 /nfs/dbraw/zinc/39/35/26/1013393526.db2.gz RKVDHPFPSOHCIQ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCN(C)C2=O)C1 ZINC001447356548 1013393534 /nfs/dbraw/zinc/39/35/34/1013393534.db2.gz RKVDHPFPSOHCIQ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001379564780 963188071 /nfs/dbraw/zinc/18/80/71/963188071.db2.gz HCLLLNNIXGZQMD-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001379591929 963231050 /nfs/dbraw/zinc/23/10/50/963231050.db2.gz GNDHXAGYSSPVGQ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NCC2CC2)CN1C(=O)CC[NH+](C)C ZINC001379593396 963235921 /nfs/dbraw/zinc/23/59/21/963235921.db2.gz HKFKVOCOCZBSDQ-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001379609007 963260131 /nfs/dbraw/zinc/26/01/31/963260131.db2.gz XBYKVVCYYOIJLA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC1(NCc2cn(C)nn2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447429948 1013421658 /nfs/dbraw/zinc/42/16/58/1013421658.db2.gz STSYMWVMKNLSRO-UHFFFAOYSA-N 1 3 322.457 0.628 20 0 DCADHO COC[C@@H](C)[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001381066567 963792890 /nfs/dbraw/zinc/79/28/90/963792890.db2.gz JWXZTHCZGQGOPN-CQSZACIVSA-N 1 3 315.458 0.617 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001381197519 963886398 /nfs/dbraw/zinc/88/63/98/963886398.db2.gz FHFTZGFKRQCWRG-GXTWGEPZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001381211228 963894387 /nfs/dbraw/zinc/89/43/87/963894387.db2.gz QPFOOPGOTFRKKQ-BFHYXJOUSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1ccnn1C ZINC001381383712 964037910 /nfs/dbraw/zinc/03/79/10/964037910.db2.gz FLJKBDMCRAFPKL-KBPBESRZSA-N 1 3 321.469 0.930 20 0 DCADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001447548353 1013469284 /nfs/dbraw/zinc/46/92/84/1013469284.db2.gz YPUBXLUJVJDDJX-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001369161302 964471484 /nfs/dbraw/zinc/47/14/84/964471484.db2.gz BVPGNUAZLXYNCR-AAVRWANBSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001373695120 964489735 /nfs/dbraw/zinc/48/97/35/964489735.db2.gz BKAJROYJCCWPPQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001373695120 964489744 /nfs/dbraw/zinc/48/97/44/964489744.db2.gz BKAJROYJCCWPPQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001369185556 964503410 /nfs/dbraw/zinc/50/34/10/964503410.db2.gz PHSMFGQFBFUIFU-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001369185556 964503417 /nfs/dbraw/zinc/50/34/17/964503417.db2.gz PHSMFGQFBFUIFU-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001369208127 964525602 /nfs/dbraw/zinc/52/56/02/964525602.db2.gz XLDYOFILDDJKCT-KBPBESRZSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001369208127 964525612 /nfs/dbraw/zinc/52/56/12/964525612.db2.gz XLDYOFILDDJKCT-KBPBESRZSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001375542878 964532949 /nfs/dbraw/zinc/53/29/49/964532949.db2.gz OUNBPFNFTXUFKG-XNRPHZJLSA-N 1 3 324.469 0.336 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375548284 964537771 /nfs/dbraw/zinc/53/77/71/964537771.db2.gz DGRIIMRKVXCHLT-JOCQHMNTSA-N 1 3 312.458 0.195 20 0 DCADHO Cc1nc(CNC[C@@H](C2CC2)N(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001369222209 964542681 /nfs/dbraw/zinc/54/26/81/964542681.db2.gz LTQBVKKOTVQCSI-KBPBESRZSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CNC[C@@H](C2CC2)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001369222209 964542687 /nfs/dbraw/zinc/54/26/87/964542687.db2.gz LTQBVKKOTVQCSI-KBPBESRZSA-N 1 3 320.441 0.391 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001369227176 964551370 /nfs/dbraw/zinc/55/13/70/964551370.db2.gz MMAJBQTVNUAXRZ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC1CC1 ZINC001373818885 964675366 /nfs/dbraw/zinc/67/53/66/964675366.db2.gz AKFUPYDFSWPHCK-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001373922531 964785465 /nfs/dbraw/zinc/78/54/65/964785465.db2.gz AWGXDCUYKUWAAI-AAVRWANBSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NCc2ccccc2)CC[N@@H+]1C ZINC001369356122 964812148 /nfs/dbraw/zinc/81/21/48/964812148.db2.gz VPEYPJWYQKGVSD-BHYGNILZSA-N 1 3 319.449 0.984 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NCc2ccccc2)CC[N@H+]1C ZINC001369356122 964812157 /nfs/dbraw/zinc/81/21/57/964812157.db2.gz VPEYPJWYQKGVSD-BHYGNILZSA-N 1 3 319.449 0.984 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001373974055 964839479 /nfs/dbraw/zinc/83/94/79/964839479.db2.gz XLHCCFZOENDBHK-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+][C@H]1CCNC1=O ZINC001374018776 964896912 /nfs/dbraw/zinc/89/69/12/964896912.db2.gz ZYUXKNJAKQQMLU-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001369399878 964898441 /nfs/dbraw/zinc/89/84/41/964898441.db2.gz GGVLXQQNTFSDPX-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)CCn1cncn1 ZINC001447774997 1013534887 /nfs/dbraw/zinc/53/48/87/1013534887.db2.gz GNDHKTPUHDYTRQ-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)CCn1cncn1 ZINC001447774997 1013534893 /nfs/dbraw/zinc/53/48/93/1013534893.db2.gz GNDHKTPUHDYTRQ-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001374215265 965143061 /nfs/dbraw/zinc/14/30/61/965143061.db2.gz DTAXVQZRPKFHDQ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001374215265 965143066 /nfs/dbraw/zinc/14/30/66/965143066.db2.gz DTAXVQZRPKFHDQ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)N(C)C(=O)CC[NH+](C)C ZINC001374280161 965218488 /nfs/dbraw/zinc/21/84/88/965218488.db2.gz ZCCACSVBVCKKIW-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374290196 965233708 /nfs/dbraw/zinc/23/37/08/965233708.db2.gz ZNOSYCDCZVVBOP-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374290196 965233721 /nfs/dbraw/zinc/23/37/21/965233721.db2.gz ZNOSYCDCZVVBOP-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1NCc1nncn1C ZINC001374387298 965332708 /nfs/dbraw/zinc/33/27/08/965332708.db2.gz SAZJGJMHVNBDDK-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369753594 965356575 /nfs/dbraw/zinc/35/65/75/965356575.db2.gz RWLOHIHBXASVPR-UKRRQHHQSA-N 1 3 322.457 0.626 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccnn1C)C1CC1 ZINC001376280312 965475078 /nfs/dbraw/zinc/47/50/78/965475078.db2.gz PFWYNUCOWAMLRG-HNNXBMFYSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001374544673 965506869 /nfs/dbraw/zinc/50/68/69/965506869.db2.gz UQOHLDZSRKITGR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001376338721 965538267 /nfs/dbraw/zinc/53/82/67/965538267.db2.gz QAVPYOFJYDGIQO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001376338721 965538273 /nfs/dbraw/zinc/53/82/73/965538273.db2.gz QAVPYOFJYDGIQO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001376342478 965542196 /nfs/dbraw/zinc/54/21/96/965542196.db2.gz FPXDKCBAWIKBAY-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001376352352 965556716 /nfs/dbraw/zinc/55/67/16/965556716.db2.gz MFUQRFMUNIQNNA-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001376399500 965612063 /nfs/dbraw/zinc/61/20/63/965612063.db2.gz QMPOAVCNIAMQLS-KKUMJFAQSA-N 1 3 307.442 0.806 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376493513 965733796 /nfs/dbraw/zinc/73/37/96/965733796.db2.gz WWBFVRYRYQPDFC-VNHYZAJKSA-N 1 3 312.458 0.336 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001374711588 965799201 /nfs/dbraw/zinc/79/92/01/965799201.db2.gz GWVZQXMJZWZCJE-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001374711588 965799213 /nfs/dbraw/zinc/79/92/13/965799213.db2.gz GWVZQXMJZWZCJE-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)CC1 ZINC001370210768 965891138 /nfs/dbraw/zinc/89/11/38/965891138.db2.gz FWFWLMQXDRDPPI-HNNXBMFYSA-N 1 3 322.453 0.091 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001374807301 965955625 /nfs/dbraw/zinc/95/56/25/965955625.db2.gz RUAJFQQDUXSWJM-UHXUPSOCSA-N 1 3 322.457 0.999 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001374807301 965955638 /nfs/dbraw/zinc/95/56/38/965955638.db2.gz RUAJFQQDUXSWJM-UHXUPSOCSA-N 1 3 322.457 0.999 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1cncn1C ZINC001447872102 1013613608 /nfs/dbraw/zinc/61/36/08/1013613608.db2.gz RXHTXUOAQQBSQG-CHWSQXEVSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001370432788 966116283 /nfs/dbraw/zinc/11/62/83/966116283.db2.gz XUGALFJSOHZANC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CN(C)CC(C)(C)C ZINC001374932926 966153799 /nfs/dbraw/zinc/15/37/99/966153799.db2.gz CZJJLXMSVDVWNW-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370524125 966212422 /nfs/dbraw/zinc/21/24/22/966212422.db2.gz WWBFVRYRYQPDFC-UMVBOHGHSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001447909973 1013642461 /nfs/dbraw/zinc/64/24/61/1013642461.db2.gz PLCIILWLBNIOCE-STQMWFEESA-N 1 3 314.474 0.535 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001370788955 966477750 /nfs/dbraw/zinc/47/77/50/966477750.db2.gz JOLYLFCJXSPGFM-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001370788955 966477755 /nfs/dbraw/zinc/47/77/55/966477755.db2.gz JOLYLFCJXSPGFM-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)COC)N(C)C ZINC001370952561 966615877 /nfs/dbraw/zinc/61/58/77/966615877.db2.gz RVWLOSHUBPMGPU-KKUMJFAQSA-N 1 3 315.458 0.305 20 0 DCADHO CCCC[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001381745362 966658233 /nfs/dbraw/zinc/65/82/33/966658233.db2.gz JVVDEQNLZCSWQS-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCC[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381745362 966658238 /nfs/dbraw/zinc/65/82/38/966658238.db2.gz JVVDEQNLZCSWQS-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)N1CCC1 ZINC001371250785 966846485 /nfs/dbraw/zinc/84/64/85/966846485.db2.gz OMYVXOPIFNZGSF-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)C1 ZINC001371319255 966898738 /nfs/dbraw/zinc/89/87/38/966898738.db2.gz CMNJMBDSDWVRIV-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)C1 ZINC001371319255 966898744 /nfs/dbraw/zinc/89/87/44/966898744.db2.gz CMNJMBDSDWVRIV-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc([C@H](C)N[C@H](C)CN(C)C(=O)CCC[NH+](C)C)n[nH]1 ZINC001382128337 966965057 /nfs/dbraw/zinc/96/50/57/966965057.db2.gz SRPQFQRPRHCLQF-NEPJUHHUSA-N 1 3 310.446 0.952 20 0 DCADHO COc1cc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001382155656 966988276 /nfs/dbraw/zinc/98/82/76/966988276.db2.gz BIGDKIUYMUDNHJ-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001382155656 966988278 /nfs/dbraw/zinc/98/82/78/966988278.db2.gz BIGDKIUYMUDNHJ-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001371543688 967103170 /nfs/dbraw/zinc/10/31/70/967103170.db2.gz IRNULGZXUKGDIA-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001371543688 967103179 /nfs/dbraw/zinc/10/31/79/967103179.db2.gz IRNULGZXUKGDIA-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C[C@@H]1C ZINC001382311604 967201463 /nfs/dbraw/zinc/20/14/63/967201463.db2.gz KQPFXMIYKOOZJJ-DZGCQCFKSA-N 1 3 307.442 0.839 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001382317595 967209688 /nfs/dbraw/zinc/20/96/88/967209688.db2.gz SYSCLUFKKWJRNG-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NCC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001382320953 967214900 /nfs/dbraw/zinc/21/49/00/967214900.db2.gz WHKOBFHQJJEVMT-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)C(C)(C)C1)N(C)C ZINC001382373032 967284487 /nfs/dbraw/zinc/28/44/87/967284487.db2.gz ZXINFRGXLOPHPP-MELADBBJSA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001371887447 967419803 /nfs/dbraw/zinc/41/98/03/967419803.db2.gz LJWQXGAKHQVNHI-UONOGXRCSA-N 1 3 322.457 0.590 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001371890035 967421239 /nfs/dbraw/zinc/42/12/39/967421239.db2.gz WCDVCWPOVOUIRY-CQSZACIVSA-N 1 3 322.453 0.710 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001382538329 967478611 /nfs/dbraw/zinc/47/86/11/967478611.db2.gz WNYHGCSIWBMUCK-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001382538329 967478616 /nfs/dbraw/zinc/47/86/16/967478616.db2.gz WNYHGCSIWBMUCK-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382798177 967673551 /nfs/dbraw/zinc/67/35/51/967673551.db2.gz YYNMWIQHFYGJHD-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001372492536 968043051 /nfs/dbraw/zinc/04/30/51/968043051.db2.gz BHTLFFKDGQDRHB-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001372492536 968043058 /nfs/dbraw/zinc/04/30/58/968043058.db2.gz BHTLFFKDGQDRHB-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001372563029 968124903 /nfs/dbraw/zinc/12/49/03/968124903.db2.gz FXJASBOFODFLLH-SHTZXODSSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001372678060 968243923 /nfs/dbraw/zinc/24/39/23/968243923.db2.gz PWAOBEWURINMHM-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001372678060 968243930 /nfs/dbraw/zinc/24/39/30/968243930.db2.gz PWAOBEWURINMHM-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO COC[C@H](C)N(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372810532 968408054 /nfs/dbraw/zinc/40/80/54/968408054.db2.gz VSMGSFLPASANPC-XJKSGUPXSA-N 1 3 309.454 0.944 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373161838 968772959 /nfs/dbraw/zinc/77/29/59/968772959.db2.gz UDOXJCFGMBUVKM-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373161838 968772964 /nfs/dbraw/zinc/77/29/64/968772964.db2.gz UDOXJCFGMBUVKM-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001373456441 969114860 /nfs/dbraw/zinc/11/48/60/969114860.db2.gz WHBVKCOFWPBGAM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001373456441 969114866 /nfs/dbraw/zinc/11/48/66/969114866.db2.gz WHBVKCOFWPBGAM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NCC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001373550850 969220140 /nfs/dbraw/zinc/22/01/40/969220140.db2.gz RWFKJPZQEJRNJK-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001431003895 1013863016 /nfs/dbraw/zinc/86/30/16/1013863016.db2.gz IIBNPDGPKIUIRK-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431003895 1013863023 /nfs/dbraw/zinc/86/30/23/1013863023.db2.gz IIBNPDGPKIUIRK-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001448549928 1013948236 /nfs/dbraw/zinc/94/82/36/1013948236.db2.gz HITADIPPVNEKSO-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001448549928 1013948238 /nfs/dbraw/zinc/94/82/38/1013948238.db2.gz HITADIPPVNEKSO-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001448669952 1013990463 /nfs/dbraw/zinc/99/04/63/1013990463.db2.gz WTASZLMMWZLWDK-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001431352472 1014011012 /nfs/dbraw/zinc/01/10/12/1014011012.db2.gz OXLRMGJZBYYZNJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NC[C@@H](CO)NCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001448947807 1014105322 /nfs/dbraw/zinc/10/53/22/1014105322.db2.gz OJXMTXZRJNMACY-HNNXBMFYSA-N 1 3 303.406 0.349 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001448976971 1014114481 /nfs/dbraw/zinc/11/44/81/1014114481.db2.gz HOAWNBGBSRSICO-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@H]1C ZINC001448982249 1014117502 /nfs/dbraw/zinc/11/75/02/1014117502.db2.gz XQDITZPJCVCRKY-OCCSQVGLSA-N 1 3 310.442 0.184 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001448974776 1014114027 /nfs/dbraw/zinc/11/40/27/1014114027.db2.gz LORQAYIPDSABSJ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN1CCC(C)CC1 ZINC001449017386 1014135991 /nfs/dbraw/zinc/13/59/91/1014135991.db2.gz JCZUDLJYUUYETC-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001449027335 1014144818 /nfs/dbraw/zinc/14/48/18/1014144818.db2.gz ZCXOJYWNPHVCHX-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549215746 1014175423 /nfs/dbraw/zinc/17/54/23/1014175423.db2.gz SSRVFKYSPHRPMJ-HRCADAONSA-N 1 3 318.421 0.420 20 0 DCADHO Cn1cc([C@H]2CN(C(=O)c3cccc4c3CNC4)C[C@H]2[NH3+])cn1 ZINC001549293016 1014200032 /nfs/dbraw/zinc/20/00/32/1014200032.db2.gz QOPQYZVCAPXUHW-HZPDHXFCSA-N 1 3 311.389 0.590 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449149686 1014243743 /nfs/dbraw/zinc/24/37/43/1014243743.db2.gz XAGKVFXXFPVGGM-OAHLLOKOSA-N 1 3 308.426 0.251 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC001549799941 1014460293 /nfs/dbraw/zinc/46/02/93/1014460293.db2.gz VKDZCBQCXUXIRR-ZJIFWQFVSA-N 1 3 316.405 0.784 20 0 DCADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001550077318 1014553924 /nfs/dbraw/zinc/55/39/24/1014553924.db2.gz CNNSIRYQEJWXSY-WBMJQRKESA-N 1 3 303.362 0.343 20 0 DCADHO CN(C)C1(C(=O)N2CC(NC(=O)CCCC[NH+](C)C)C2)CCC1 ZINC001530567044 1014807740 /nfs/dbraw/zinc/80/77/40/1014807740.db2.gz VOMNMWVHZPGGAL-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC001550758947 1014849592 /nfs/dbraw/zinc/84/95/92/1014849592.db2.gz XFJFMCKFUIRYSA-BZUAXINKSA-N 1 3 318.421 0.459 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550759678 1014849696 /nfs/dbraw/zinc/84/96/96/1014849696.db2.gz HHSZHGCHESCPRO-CABCVRRESA-N 1 3 324.469 0.929 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001530899620 1014985018 /nfs/dbraw/zinc/98/50/18/1014985018.db2.gz LYRODFLSPCGIGI-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001530899620 1014985025 /nfs/dbraw/zinc/98/50/25/1014985025.db2.gz LYRODFLSPCGIGI-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001383113788 984681181 /nfs/dbraw/zinc/68/11/81/984681181.db2.gz IPTKIQQULZWAHX-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001383489972 984899464 /nfs/dbraw/zinc/89/94/64/984899464.db2.gz IDDWKYFSJKKJNF-OLZOCXBDSA-N 1 3 321.425 0.400 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)C1 ZINC001551558551 1015137763 /nfs/dbraw/zinc/13/77/63/1015137763.db2.gz IIUAIFAOOOEAGH-DRZSPHRISA-N 1 3 320.359 0.922 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001525507171 1015152236 /nfs/dbraw/zinc/15/22/36/1015152236.db2.gz WSEWVRRUULBGHT-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385250394 986185658 /nfs/dbraw/zinc/18/56/58/986185658.db2.gz YYUCBGSKEVBATR-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385250394 986185662 /nfs/dbraw/zinc/18/56/62/986185662.db2.gz YYUCBGSKEVBATR-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001386065113 986793230 /nfs/dbraw/zinc/79/32/30/986793230.db2.gz RTAOGMJBBUTKFL-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001450637561 1015266047 /nfs/dbraw/zinc/26/60/47/1015266047.db2.gz GYVXOFTZDFLECY-OAHLLOKOSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001386278640 987027636 /nfs/dbraw/zinc/02/76/36/987027636.db2.gz TZRQBBZKKKMPQR-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001386278640 987027649 /nfs/dbraw/zinc/02/76/49/987027649.db2.gz TZRQBBZKKKMPQR-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001386293648 987048276 /nfs/dbraw/zinc/04/82/76/987048276.db2.gz QXVQCOSQJVKGJI-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001386586215 987230742 /nfs/dbraw/zinc/23/07/42/987230742.db2.gz BCVIEDVIXJERLV-CYBMUJFWSA-N 1 3 321.425 0.177 20 0 DCADHO O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[C@H](N2CCCC2)C1 ZINC001552180837 1015307355 /nfs/dbraw/zinc/30/73/55/1015307355.db2.gz UUTYNRZQICDTLI-STQMWFEESA-N 1 3 304.398 0.123 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CNC(=O)CN(C)C(C)C ZINC001386859704 987459479 /nfs/dbraw/zinc/45/94/79/987459479.db2.gz KXYUHTQPOKGORI-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CNC(=O)CN(C)C(C)C ZINC001386859704 987459485 /nfs/dbraw/zinc/45/94/85/987459485.db2.gz KXYUHTQPOKGORI-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)c1ccccc1 ZINC001552198667 1015317388 /nfs/dbraw/zinc/31/73/88/1015317388.db2.gz WQFCUGOTQQKXJM-BFYDXBDKSA-N 1 3 303.406 0.642 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001526693963 1015321620 /nfs/dbraw/zinc/32/16/20/1015321620.db2.gz HIXBSXJBAXBWGE-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001526693963 1015321632 /nfs/dbraw/zinc/32/16/32/1015321632.db2.gz HIXBSXJBAXBWGE-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001387818678 988181227 /nfs/dbraw/zinc/18/12/27/988181227.db2.gz PLJDCILDPQKYKS-KGLIPLIRSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001387818678 988181230 /nfs/dbraw/zinc/18/12/30/988181230.db2.gz PLJDCILDPQKYKS-KGLIPLIRSA-N 1 3 312.458 0.099 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]cn1 ZINC001387961944 988333121 /nfs/dbraw/zinc/33/31/21/988333121.db2.gz ZLYNRDVWELOOTD-KBPBESRZSA-N 1 3 319.409 0.106 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]cn1 ZINC001387961944 988333128 /nfs/dbraw/zinc/33/31/28/988333128.db2.gz ZLYNRDVWELOOTD-KBPBESRZSA-N 1 3 319.409 0.106 20 0 DCADHO C[C@H](O)CCCN1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001388648850 988474621 /nfs/dbraw/zinc/47/46/21/988474621.db2.gz ANLSCVNBNINTSB-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)CC[NH+]2CCCCC2)C1)N(C)C ZINC001389240280 989016371 /nfs/dbraw/zinc/01/63/71/989016371.db2.gz FTLASKHWWKOEHK-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001389775627 989563463 /nfs/dbraw/zinc/56/34/63/989563463.db2.gz SRSDZOMZJXGDEP-ZDUSSCGKSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N2CCC2)CC[N@@H+]1C ZINC001390376852 990038148 /nfs/dbraw/zinc/03/81/48/990038148.db2.gz SFTBVXWFHRRFDD-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N2CCC2)CC[N@H+]1C ZINC001390376852 990038156 /nfs/dbraw/zinc/03/81/56/990038156.db2.gz SFTBVXWFHRRFDD-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CO[C@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CCC1 ZINC001390563687 990201786 /nfs/dbraw/zinc/20/17/86/990201786.db2.gz KZSFFCLQCPAKDJ-DZGCQCFKSA-N 1 3 306.410 0.958 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001390601230 990237169 /nfs/dbraw/zinc/23/71/69/990237169.db2.gz XCGMJDTVQFMBDO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC001390606099 990240721 /nfs/dbraw/zinc/24/07/21/990240721.db2.gz NNVFHXWVYLSJFV-ZDUSSCGKSA-N 1 3 324.425 0.963 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001390609255 990242387 /nfs/dbraw/zinc/24/23/87/990242387.db2.gz HIUASGFRZUGWMW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001391022308 990521490 /nfs/dbraw/zinc/52/14/90/990521490.db2.gz LNPLUEITHNGBTG-KBPBESRZSA-N 1 3 320.441 0.155 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001391022308 990521496 /nfs/dbraw/zinc/52/14/96/990521496.db2.gz LNPLUEITHNGBTG-KBPBESRZSA-N 1 3 320.441 0.155 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCN(CCO)C2CC2)C1 ZINC001391183618 990647093 /nfs/dbraw/zinc/64/70/93/990647093.db2.gz KNPQBKSBSNGAHA-INIZCTEOSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCN(CCO)C2CC2)C1 ZINC001391183618 990647096 /nfs/dbraw/zinc/64/70/96/990647096.db2.gz KNPQBKSBSNGAHA-INIZCTEOSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001391216170 990676724 /nfs/dbraw/zinc/67/67/24/990676724.db2.gz YEYJJMVUFMOQMY-GFCCVEGCSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001391216170 990676726 /nfs/dbraw/zinc/67/67/26/990676726.db2.gz YEYJJMVUFMOQMY-GFCCVEGCSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)N(C)C ZINC001391703058 991114717 /nfs/dbraw/zinc/11/47/17/991114717.db2.gz MVHWOWHENZZYJE-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1CNCC(N)=O ZINC001392195035 991596705 /nfs/dbraw/zinc/59/67/05/991596705.db2.gz JYCMLWLPCYXYSO-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392427722 991918818 /nfs/dbraw/zinc/91/88/18/991918818.db2.gz VEPSNRNXZUCZGV-HOCLYGCPSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392427722 991918825 /nfs/dbraw/zinc/91/88/25/991918825.db2.gz VEPSNRNXZUCZGV-HOCLYGCPSA-N 1 3 320.437 0.299 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001392487689 991994818 /nfs/dbraw/zinc/99/48/18/991994818.db2.gz OMHVQIHIXSXMFF-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001392487689 991994829 /nfs/dbraw/zinc/99/48/29/991994829.db2.gz OMHVQIHIXSXMFF-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001392592984 992134896 /nfs/dbraw/zinc/13/48/96/992134896.db2.gz DDCQKRQOEDVLLB-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N1CCCCC1)NC(=O)CC[NH+](C)C ZINC001392592558 992135286 /nfs/dbraw/zinc/13/52/86/992135286.db2.gz LFUWMOJEYYHWMW-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CC1)C(N)=O ZINC001392793965 992403048 /nfs/dbraw/zinc/40/30/48/992403048.db2.gz PRFCCVSZFMPUKD-AAEUAGOBSA-N 1 3 312.458 0.323 20 0 DCADHO CN1CCC[C@H](NC2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)C1=O ZINC001392929037 992553720 /nfs/dbraw/zinc/55/37/20/992553720.db2.gz HXLXCZNXUYCBPD-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCn2cccn2)CC1)N(C)C ZINC001392947957 992574948 /nfs/dbraw/zinc/57/49/48/992574948.db2.gz DZKGGVXHWXAIRD-AWEZNQCLSA-N 1 3 307.442 0.708 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)N(C)C ZINC001393051646 992651483 /nfs/dbraw/zinc/65/14/83/992651483.db2.gz HOQKDBBTXWYZJI-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)N(C)C ZINC001393051643 992651744 /nfs/dbraw/zinc/65/17/44/992651744.db2.gz HOQKDBBTXWYZJI-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO COCCN1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001393122379 992700373 /nfs/dbraw/zinc/70/03/73/992700373.db2.gz NRPIAUSUJATOFF-MRXNPFEDSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001393322245 992879036 /nfs/dbraw/zinc/87/90/36/992879036.db2.gz JUVOIIRNBIDHGL-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC)CC1)N(C)C ZINC001393490662 993029336 /nfs/dbraw/zinc/02/93/36/993029336.db2.gz NADRSTMZQQCLRB-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCc1cncn1C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393986701 993392758 /nfs/dbraw/zinc/39/27/58/993392758.db2.gz FOXKMYUGEJRDKH-OLZOCXBDSA-N 1 3 305.426 0.499 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001394009400 993408916 /nfs/dbraw/zinc/40/89/16/993408916.db2.gz WLWZWHHYFNOSCJ-NRXISQOPSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001394198265 993536825 /nfs/dbraw/zinc/53/68/25/993536825.db2.gz TYTWVNCYALAERR-OKILXGFUSA-N 1 3 324.469 0.753 20 0 DCADHO CCCN(C)CC(=O)N[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001394304495 993609183 /nfs/dbraw/zinc/60/91/83/993609183.db2.gz BKEJEWQCATTWPB-INIZCTEOSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC001394448731 993715796 /nfs/dbraw/zinc/71/57/96/993715796.db2.gz BZLIGYPBMZVKSU-UKRRQHHQSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC001394448731 993715807 /nfs/dbraw/zinc/71/58/07/993715807.db2.gz BZLIGYPBMZVKSU-UKRRQHHQSA-N 1 3 322.453 0.043 20 0 DCADHO Cc1nc([C@H](C)N[C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001394516384 993790923 /nfs/dbraw/zinc/79/09/23/993790923.db2.gz CYQBRIHUAFGSPT-NEPJUHHUSA-N 1 3 322.457 0.952 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001394624891 993929186 /nfs/dbraw/zinc/92/91/86/993929186.db2.gz XGPOXDAOJYKTDV-QGZVFWFLSA-N 1 3 319.449 0.904 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001394664765 993991722 /nfs/dbraw/zinc/99/17/22/993991722.db2.gz PFBMFIQQIAPXPU-IUODEOHRSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001394669730 993997625 /nfs/dbraw/zinc/99/76/25/993997625.db2.gz OJLVQXXJBZAWDO-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001394669745 993998428 /nfs/dbraw/zinc/99/84/28/993998428.db2.gz OJLVQXXJBZAWDO-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)[C@@H]1C ZINC001394671944 994000634 /nfs/dbraw/zinc/00/06/34/994000634.db2.gz IWJICVGZLQHBGU-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1[C@@H](NCc2cncn2C)CCN1C(=O)CCC[NH+](C)C ZINC001394678671 994011143 /nfs/dbraw/zinc/01/11/43/994011143.db2.gz YEZLYXSSCUTNIF-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001400173214 994233824 /nfs/dbraw/zinc/23/38/24/994233824.db2.gz JIPFJEHWHXZMAG-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001400182709 994247535 /nfs/dbraw/zinc/24/75/35/994247535.db2.gz HDMGVWXCDRXFIS-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001400182709 994247546 /nfs/dbraw/zinc/24/75/46/994247546.db2.gz HDMGVWXCDRXFIS-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CN(C[C@@H](O)C2CCCCC2)C1 ZINC001400530150 994619630 /nfs/dbraw/zinc/61/96/30/994619630.db2.gz VGYJMZZCRVUIMT-MRXNPFEDSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001400811104 994959698 /nfs/dbraw/zinc/95/96/98/994959698.db2.gz IOBKEFIASCXTAF-GXTWGEPZSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001400811104 994959708 /nfs/dbraw/zinc/95/97/08/994959708.db2.gz IOBKEFIASCXTAF-GXTWGEPZSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001401075453 995153406 /nfs/dbraw/zinc/15/34/06/995153406.db2.gz FTBUXZRFEDIOJF-ZDUSSCGKSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)C(=O)CN1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001401079945 995155588 /nfs/dbraw/zinc/15/55/88/995155588.db2.gz NNXPHEPWVDANMS-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CN1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001401079945 995155592 /nfs/dbraw/zinc/15/55/92/995155592.db2.gz NNXPHEPWVDANMS-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1)N(C)C ZINC001396729573 995565979 /nfs/dbraw/zinc/56/59/79/995565979.db2.gz YICGLEGQNXZGKX-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001507074814 1015958090 /nfs/dbraw/zinc/95/80/90/1015958090.db2.gz WVVXZBXIPSDURA-FZMZJTMJSA-N 1 3 320.441 0.391 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001396798499 995619090 /nfs/dbraw/zinc/61/90/90/995619090.db2.gz PDEXPNOSEYMLBJ-UONOGXRCSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001397094795 995792432 /nfs/dbraw/zinc/79/24/32/995792432.db2.gz TWHFCPJCEPDPOL-OKILXGFUSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001397138607 995819329 /nfs/dbraw/zinc/81/93/29/995819329.db2.gz ZPEZAYMJZGWJKH-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001397138607 995819340 /nfs/dbraw/zinc/81/93/40/995819340.db2.gz ZPEZAYMJZGWJKH-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001397175574 995844539 /nfs/dbraw/zinc/84/45/39/995844539.db2.gz RBKBVUQPGRROOA-VHDGCEQUSA-N 1 3 324.425 0.176 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001397501452 996033675 /nfs/dbraw/zinc/03/36/75/996033675.db2.gz BQNCAVTZCFJKHE-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@H]1CCCNC1=O ZINC001507129895 1016012462 /nfs/dbraw/zinc/01/24/62/1016012462.db2.gz LGNCEEXVLUSNGZ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001398418511 996507809 /nfs/dbraw/zinc/50/78/09/996507809.db2.gz XCTLACFODSNGHS-BXUZGUMPSA-N 1 3 310.442 0.090 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001398418522 996508676 /nfs/dbraw/zinc/50/86/76/996508676.db2.gz XCTLACFODSNGHS-SMDDNHRTSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001398477588 996536043 /nfs/dbraw/zinc/53/60/43/996536043.db2.gz SHGILWJFMQYSPP-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001398789132 996687693 /nfs/dbraw/zinc/68/76/93/996687693.db2.gz FYLMMYUSTPUEFH-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001398789132 996687695 /nfs/dbraw/zinc/68/76/95/996687695.db2.gz FYLMMYUSTPUEFH-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001502754211 1016055736 /nfs/dbraw/zinc/05/57/36/1016055736.db2.gz MNBFRSMWTXELFE-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001398843149 996711891 /nfs/dbraw/zinc/71/18/91/996711891.db2.gz ZMLJHRGGQLNONK-NRXISQOPSA-N 1 3 324.469 0.622 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCC[NH+]1CCCCC1 ZINC001404332070 996997461 /nfs/dbraw/zinc/99/74/61/996997461.db2.gz RBEVMPRFDDKRRI-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+]CCO)c1ccccc1)C1CCC1 ZINC001404371673 997046781 /nfs/dbraw/zinc/04/67/81/997046781.db2.gz HLPYHSLICXOWOT-MRXNPFEDSA-N 1 3 305.422 0.910 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC001502829080 1016092024 /nfs/dbraw/zinc/09/20/24/1016092024.db2.gz NPVWBZOJTXBVJP-ZIAGYGMSSA-N 1 3 317.449 0.875 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC001502829080 1016092037 /nfs/dbraw/zinc/09/20/37/1016092037.db2.gz NPVWBZOJTXBVJP-ZIAGYGMSSA-N 1 3 317.449 0.875 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCC[C@@H](C)O)C2)CC[N@@H+]1C ZINC001404941889 997611189 /nfs/dbraw/zinc/61/11/89/997611189.db2.gz MWRQNYRUPVOMOY-VNQPRFMTSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CCC[C@@H](C)O)C2)CC[N@H+]1C ZINC001404941889 997611194 /nfs/dbraw/zinc/61/11/94/997611194.db2.gz MWRQNYRUPVOMOY-VNQPRFMTSA-N 1 3 311.470 0.926 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)N[C@H]1CCc2c1cccc2F ZINC001507234076 1016159534 /nfs/dbraw/zinc/15/95/34/1016159534.db2.gz YRSMFXYCZNWMCC-LRDDRELGSA-N 1 3 323.412 0.831 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001405262325 998029578 /nfs/dbraw/zinc/02/95/78/998029578.db2.gz BUKSRKIBNARHHU-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC(C)(C)C ZINC001405377775 998168765 /nfs/dbraw/zinc/16/87/65/998168765.db2.gz WNPFIZXZUYIJIB-CYBMUJFWSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]CC(=O)N(C)C)CCCC2)C1 ZINC001405406878 998197020 /nfs/dbraw/zinc/19/70/20/998197020.db2.gz YAKJANSHJRWWFM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001405597699 998373838 /nfs/dbraw/zinc/37/38/38/998373838.db2.gz PDMZUJSRYQVYDT-HZSPNIEDSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507290282 1016220372 /nfs/dbraw/zinc/22/03/72/1016220372.db2.gz MLNGGRINJVAMDC-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C[C@@H]1C ZINC001507328394 1016255980 /nfs/dbraw/zinc/25/59/80/1016255980.db2.gz PCJNHBYWUCUFRQ-GOEBONIOSA-N 1 3 321.469 0.883 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001505501796 1016277728 /nfs/dbraw/zinc/27/77/28/1016277728.db2.gz JVRNGHSRCNCLLZ-PIMMBPRGSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC2CC2)C(C)(C)C1 ZINC001507443307 1016331285 /nfs/dbraw/zinc/33/12/85/1016331285.db2.gz OAUXEHWWUFENRP-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NCC(C)(C)C)N(C)C(=O)CC[NH+](C)C ZINC001401247050 1000305980 /nfs/dbraw/zinc/30/59/80/1000305980.db2.gz NGZPQALPZNORLT-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401258183 1000315338 /nfs/dbraw/zinc/31/53/38/1000315338.db2.gz UEWVQDZGZFHQHG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401258183 1000315346 /nfs/dbraw/zinc/31/53/46/1000315346.db2.gz UEWVQDZGZFHQHG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401391769 1000404473 /nfs/dbraw/zinc/40/44/73/1000404473.db2.gz UTQQEAFJZAMWDJ-UHFFFAOYSA-N 1 3 321.469 0.695 20 0 DCADHO CCCC[C@H](C(N)=O)N1CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC001418643735 1000416342 /nfs/dbraw/zinc/41/63/42/1000416342.db2.gz ACHXJANAGBYZCH-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[C@H](C(N)=O)N1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001418643735 1000416345 /nfs/dbraw/zinc/41/63/45/1000416345.db2.gz ACHXJANAGBYZCH-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCCNC(=O)[C@H](C)N1CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC001418645322 1000416864 /nfs/dbraw/zinc/41/68/64/1000416864.db2.gz FIWLHGFJNHVERI-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001418746638 1000490148 /nfs/dbraw/zinc/49/01/48/1000490148.db2.gz ULADRFPUANMVOQ-IPYPFGDCSA-N 1 3 324.469 0.419 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1cncn1C)C1CC1)C1CCC1 ZINC001401840555 1000775240 /nfs/dbraw/zinc/77/52/40/1000775240.db2.gz AHRSJHUYQVMYKS-INIZCTEOSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)CC[N@@H+]1C ZINC001401929563 1000869110 /nfs/dbraw/zinc/86/91/10/1000869110.db2.gz GBBIQLXNDQAJJJ-YUELXQCFSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)CC[N@H+]1C ZINC001401929563 1000869116 /nfs/dbraw/zinc/86/91/16/1000869116.db2.gz GBBIQLXNDQAJJJ-YUELXQCFSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(C)C ZINC001419236382 1000904736 /nfs/dbraw/zinc/90/47/36/1000904736.db2.gz AMKWECSMSCXMPM-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C[C@@H](O)CNCc1cncc(F)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507563736 1016454186 /nfs/dbraw/zinc/45/41/86/1016454186.db2.gz UDMGTAOEBGGHHC-ZFWWWQNUSA-N 1 3 324.400 0.081 20 0 DCADHO CN(C[C@@H](O)CNCc1cncc(F)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507563736 1016454189 /nfs/dbraw/zinc/45/41/89/1016454189.db2.gz UDMGTAOEBGGHHC-ZFWWWQNUSA-N 1 3 324.400 0.081 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](NCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001419326393 1000979077 /nfs/dbraw/zinc/97/90/77/1000979077.db2.gz OVHSVJSAHDPVQT-DZGCQCFKSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001402061771 1000985079 /nfs/dbraw/zinc/98/50/79/1000985079.db2.gz NXQAPQLSHQMNPA-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCc1cc2n(n1)CCC2)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419545632 1001130069 /nfs/dbraw/zinc/13/00/69/1001130069.db2.gz QNPXKOWQNQFXND-ZIAGYGMSSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@H](CNCc1cc2n(n1)CCC2)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419545632 1001130073 /nfs/dbraw/zinc/13/00/73/1001130073.db2.gz QNPXKOWQNQFXND-ZIAGYGMSSA-N 1 3 319.453 0.623 20 0 DCADHO COC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001419554099 1001136694 /nfs/dbraw/zinc/13/66/94/1001136694.db2.gz JOLYLFCJXSPGFM-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO COC[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001419554099 1001136700 /nfs/dbraw/zinc/13/67/00/1001136700.db2.gz JOLYLFCJXSPGFM-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC2CCC2)C1)N(C)C ZINC001402275275 1001168088 /nfs/dbraw/zinc/16/80/88/1001168088.db2.gz PSXZCUZZWLZRKE-RDJZCZTQSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC2CCC2)C1)N(C)C ZINC001402275275 1001168097 /nfs/dbraw/zinc/16/80/97/1001168097.db2.gz PSXZCUZZWLZRKE-RDJZCZTQSA-N 1 3 311.470 0.926 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001402314815 1001207181 /nfs/dbraw/zinc/20/71/81/1001207181.db2.gz OIKZPXCYNLVAKL-DGCLKSJQSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001419707802 1001238451 /nfs/dbraw/zinc/23/84/51/1001238451.db2.gz XNQSUFPUXBNGDU-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]([NH2+]CCn1cccn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402421070 1001292348 /nfs/dbraw/zinc/29/23/48/1001292348.db2.gz YEIARQFFCTUUGR-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001419791027 1001311656 /nfs/dbraw/zinc/31/16/56/1001311656.db2.gz LNXJUYJAKJLFOK-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001402478366 1001346877 /nfs/dbraw/zinc/34/68/77/1001346877.db2.gz JVRMBZKMRGHPGH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001419867600 1001368887 /nfs/dbraw/zinc/36/88/87/1001368887.db2.gz MLTIEDOELYPUAL-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nnc([C@H](C)NC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001402693493 1001472770 /nfs/dbraw/zinc/47/27/70/1001472770.db2.gz OORMYMNOTRKGGY-JSGCOSHPSA-N 1 3 322.457 0.954 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001402882373 1001554417 /nfs/dbraw/zinc/55/44/17/1001554417.db2.gz NRUKNENPORMYNM-SWLSCSKDSA-N 1 3 305.426 0.356 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001402898544 1001563592 /nfs/dbraw/zinc/56/35/92/1001563592.db2.gz WLXGCGWFSSBUES-ZBFHGGJFSA-N 1 3 321.469 0.931 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cccn1 ZINC001402897385 1001563843 /nfs/dbraw/zinc/56/38/43/1001563843.db2.gz YRLZEKXBBYQGIY-HUUCEWRRSA-N 1 3 307.442 0.850 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001402898536 1001564253 /nfs/dbraw/zinc/56/42/53/1001564253.db2.gz WLXGCGWFSSBUES-GOEBONIOSA-N 1 3 321.469 0.931 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCCC1=O)N(C)C ZINC001402923892 1001581149 /nfs/dbraw/zinc/58/11/49/1001581149.db2.gz YSBOZLGJSYHHMY-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001402989547 1001621724 /nfs/dbraw/zinc/62/17/24/1001621724.db2.gz FDCRXTAYGRDOEP-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001402989547 1001621725 /nfs/dbraw/zinc/62/17/25/1001621725.db2.gz FDCRXTAYGRDOEP-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001403028975 1001639444 /nfs/dbraw/zinc/63/94/44/1001639444.db2.gz TUHILSUFHVROIS-QWHCGFSZSA-N 1 3 308.430 0.245 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001403041126 1001643967 /nfs/dbraw/zinc/64/39/67/1001643967.db2.gz GYEJQZDKCXHBFJ-RYUDHWBXSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001403047963 1001648344 /nfs/dbraw/zinc/64/83/44/1001648344.db2.gz NSCGXLYXISMBCD-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N[C@H]2CCNC2=O)CC1 ZINC001403074226 1001661657 /nfs/dbraw/zinc/66/16/57/1001661657.db2.gz BIUWYPBVOQMBGG-JSGCOSHPSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)CC1CC1 ZINC001403083611 1001665763 /nfs/dbraw/zinc/66/57/63/1001665763.db2.gz LPUXJAONKNAQLI-ZDUSSCGKSA-N 1 3 322.453 0.045 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001403210641 1001734746 /nfs/dbraw/zinc/73/47/46/1001734746.db2.gz GQSCIWGNGMCLGL-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001419989622 1001747014 /nfs/dbraw/zinc/74/70/14/1001747014.db2.gz IKBMBWGHVUNUSW-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC(N)=O ZINC001505760075 1016531550 /nfs/dbraw/zinc/53/15/50/1016531550.db2.gz GDRJGOZSUYEBOR-NWDGAFQWSA-N 1 3 306.410 0.330 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001505763980 1016534545 /nfs/dbraw/zinc/53/45/45/1016534545.db2.gz XHMDBXFZSGBBDD-HIFRSBDPSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001403450052 1001974187 /nfs/dbraw/zinc/97/41/87/1001974187.db2.gz MNYPHOCDZUUQEM-ZQDZILKHSA-N 1 3 324.469 0.099 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001403450052 1001974197 /nfs/dbraw/zinc/97/41/97/1001974197.db2.gz MNYPHOCDZUUQEM-ZQDZILKHSA-N 1 3 324.469 0.099 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001403462885 1001991206 /nfs/dbraw/zinc/99/12/06/1001991206.db2.gz WKRSHLBFMVJLQZ-VNHYZAJKSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001403462885 1001991221 /nfs/dbraw/zinc/99/12/21/1001991221.db2.gz WKRSHLBFMVJLQZ-VNHYZAJKSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CC[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001420217796 1002060879 /nfs/dbraw/zinc/06/08/79/1002060879.db2.gz ARMVEKDKPDSCRF-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCCN(C)C1=O ZINC001403591837 1002179225 /nfs/dbraw/zinc/17/92/25/1002179225.db2.gz QCWCZCGUVOSXMW-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@H](N[C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001403605895 1002197669 /nfs/dbraw/zinc/19/76/69/1002197669.db2.gz UUVCDHJGIGHUGS-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NC1CCCC1 ZINC001403608433 1002203182 /nfs/dbraw/zinc/20/31/82/1002203182.db2.gz ZCRMAUSIWJXYNU-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001420311142 1002207112 /nfs/dbraw/zinc/20/71/12/1002207112.db2.gz FZKJKZYAEWOHMO-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001420311142 1002207123 /nfs/dbraw/zinc/20/71/23/1002207123.db2.gz FZKJKZYAEWOHMO-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001403632539 1002241363 /nfs/dbraw/zinc/24/13/63/1002241363.db2.gz QDAOBYFCCDGYCY-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCCC1 ZINC001403638321 1002249072 /nfs/dbraw/zinc/24/90/72/1002249072.db2.gz XLUYXFHEAQRORK-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001420378500 1002309089 /nfs/dbraw/zinc/30/90/89/1002309089.db2.gz VPOCTCQICKZBKW-GFCCVEGCSA-N 1 3 306.410 0.202 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H](CN[C@H]2CCNC2=O)C(C)(C)C)CC1 ZINC001508016798 1016609279 /nfs/dbraw/zinc/60/92/79/1016609279.db2.gz YFDHTCAZDCARCQ-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508015569 1016609526 /nfs/dbraw/zinc/60/95/26/1016609526.db2.gz AVYFEABHGCKVKT-VXGBXAGGSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cncn1C ZINC001420420811 1002393716 /nfs/dbraw/zinc/39/37/16/1002393716.db2.gz DWQQHIOSCJBFIW-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cncn1C ZINC001420420811 1002393729 /nfs/dbraw/zinc/39/37/29/1002393729.db2.gz DWQQHIOSCJBFIW-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001403740487 1002447611 /nfs/dbraw/zinc/44/76/11/1002447611.db2.gz KNWJPKPMSHJBHV-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001403747344 1002462459 /nfs/dbraw/zinc/46/24/59/1002462459.db2.gz OIRAYYVECFMGEL-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H]3CN(CC(N)=O)C[C@H]3C2)CC1 ZINC001425375822 1002621339 /nfs/dbraw/zinc/62/13/39/1002621339.db2.gz VZTKXVORRMOSAP-MGPQQGTHSA-N 1 3 322.453 0.030 20 0 DCADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)C1(C[NH+](C)C)CC1 ZINC001403878311 1002669958 /nfs/dbraw/zinc/66/99/58/1002669958.db2.gz QMRZXGKJNIYBPX-OAHLLOKOSA-N 1 3 320.437 0.332 20 0 DCADHO CN(CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001420684726 1002797941 /nfs/dbraw/zinc/79/79/41/1002797941.db2.gz PAMLMAFNQAPTRN-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@H](C)C(N)=O)C(C)(C)C ZINC001403960231 1002803724 /nfs/dbraw/zinc/80/37/24/1002803724.db2.gz NLQLCQZXIJDDKP-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@H](C)C(N)=O)C(C)(C)C ZINC001403960231 1002803741 /nfs/dbraw/zinc/80/37/41/1002803741.db2.gz NLQLCQZXIJDDKP-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001403962141 1002808022 /nfs/dbraw/zinc/80/80/22/1002808022.db2.gz HBAPWVLQEZNAPW-UONOGXRCSA-N 1 3 324.469 0.195 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001403977496 1002839227 /nfs/dbraw/zinc/83/92/27/1002839227.db2.gz NLEHWPBJXIVJLW-STQMWFEESA-N 1 3 314.474 0.582 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001420731809 1002878533 /nfs/dbraw/zinc/87/85/33/1002878533.db2.gz YXZHTRZIPJQWGY-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001425672420 1002947810 /nfs/dbraw/zinc/94/78/10/1002947810.db2.gz DLNFEUKHDMXRGK-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001425672420 1002947821 /nfs/dbraw/zinc/94/78/21/1002947821.db2.gz DLNFEUKHDMXRGK-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001420790006 1002949510 /nfs/dbraw/zinc/94/95/10/1002949510.db2.gz XJGFWTUJUVDGGP-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420790006 1002949520 /nfs/dbraw/zinc/94/95/20/1002949520.db2.gz XJGFWTUJUVDGGP-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001425694717 1002966737 /nfs/dbraw/zinc/96/67/37/1002966737.db2.gz KUFLPCWISUHLQQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001405856704 1003146217 /nfs/dbraw/zinc/14/62/17/1003146217.db2.gz CKBPIRMXEHNKKY-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420949214 1003167758 /nfs/dbraw/zinc/16/77/58/1003167758.db2.gz LDMHDGVBDXMTSG-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420949214 1003167763 /nfs/dbraw/zinc/16/77/63/1003167763.db2.gz LDMHDGVBDXMTSG-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001405963871 1003226171 /nfs/dbraw/zinc/22/61/71/1003226171.db2.gz GQGNPTQYQJGULE-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H](C)C1 ZINC001405973849 1003232967 /nfs/dbraw/zinc/23/29/67/1003232967.db2.gz OOJQZRJFJKXXGR-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001406035224 1003287688 /nfs/dbraw/zinc/28/76/88/1003287688.db2.gz CZAZXHOKIRWYMQ-STQMWFEESA-N 1 3 314.474 0.569 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)CC(C)(C)C ZINC001421113848 1003333604 /nfs/dbraw/zinc/33/36/04/1003333604.db2.gz ZZUWVDHSMRAANI-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001421169356 1003401944 /nfs/dbraw/zinc/40/19/44/1003401944.db2.gz LXDBBNMHVYMNKZ-JSGCOSHPSA-N 1 3 310.442 0.078 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001421248855 1003480983 /nfs/dbraw/zinc/48/09/83/1003480983.db2.gz CBCHFIDJAKYEFK-RHSMWYFYSA-N 1 3 324.469 0.293 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001426163112 1003631275 /nfs/dbraw/zinc/63/12/75/1003631275.db2.gz IVRFHEFMLQFFKV-OCCSQVGLSA-N 1 3 322.457 0.387 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001426163112 1003631284 /nfs/dbraw/zinc/63/12/84/1003631284.db2.gz IVRFHEFMLQFFKV-OCCSQVGLSA-N 1 3 322.457 0.387 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001406360796 1003639492 /nfs/dbraw/zinc/63/94/92/1003639492.db2.gz RICHTEDIFSRYFG-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001428046751 1003673991 /nfs/dbraw/zinc/67/39/91/1003673991.db2.gz SJNRRSHJRKXIFL-GASCZTMLSA-N 1 3 322.453 0.236 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001426335305 1003719417 /nfs/dbraw/zinc/71/94/17/1003719417.db2.gz VHYNKIWKUQUDPQ-SLTAFYQDSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001426335305 1003719420 /nfs/dbraw/zinc/71/94/20/1003719420.db2.gz VHYNKIWKUQUDPQ-SLTAFYQDSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001513205899 1016818825 /nfs/dbraw/zinc/81/88/25/1016818825.db2.gz IDXKUMWUMLIKNT-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001513205899 1016818843 /nfs/dbraw/zinc/81/88/43/1016818843.db2.gz IDXKUMWUMLIKNT-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccnn1C)N(C)C ZINC001406699284 1004011941 /nfs/dbraw/zinc/01/19/41/1004011941.db2.gz ULKGAGVACWVCOC-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001406699284 1004011949 /nfs/dbraw/zinc/01/19/49/1004011949.db2.gz ULKGAGVACWVCOC-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO C[C@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCCCC1 ZINC001406794714 1004103430 /nfs/dbraw/zinc/10/34/30/1004103430.db2.gz VOBGOQPELFJDNJ-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001406797155 1004104516 /nfs/dbraw/zinc/10/45/16/1004104516.db2.gz QBPJTLDMOADCJP-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001427362766 1004344593 /nfs/dbraw/zinc/34/45/93/1004344593.db2.gz PVKPVHNPWCIORK-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001427362766 1004344597 /nfs/dbraw/zinc/34/45/97/1004344597.db2.gz PVKPVHNPWCIORK-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001407118550 1004399916 /nfs/dbraw/zinc/39/99/16/1004399916.db2.gz YLGJFKVEOLSRMN-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001427493910 1004424091 /nfs/dbraw/zinc/42/40/91/1004424091.db2.gz VFWXDQZJTFZYPD-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001407218692 1004477554 /nfs/dbraw/zinc/47/75/54/1004477554.db2.gz DDAPWKSHFPGCOK-HNNXBMFYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)CC[NH+](C)C ZINC001427609129 1004486610 /nfs/dbraw/zinc/48/66/10/1004486610.db2.gz YMCGORPIBHGDFG-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001407264764 1004503409 /nfs/dbraw/zinc/50/34/09/1004503409.db2.gz MHUTWAJJVFNTMK-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001407277489 1004512324 /nfs/dbraw/zinc/51/23/24/1004512324.db2.gz ZPTFALQJYIFZDL-CJNGLKHVSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)C1(C(=O)N(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001429389108 1004567099 /nfs/dbraw/zinc/56/70/99/1004567099.db2.gz RAOPXKYXLSDAIB-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001429389108 1004567104 /nfs/dbraw/zinc/56/71/04/1004567104.db2.gz RAOPXKYXLSDAIB-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCNC(=O)Cc1nc[nH]c1C ZINC001429408623 1004581123 /nfs/dbraw/zinc/58/11/23/1004581123.db2.gz NHUHGERVMBUJOO-UHFFFAOYSA-N 1 3 309.414 0.177 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)Cc1nc[nH]c1C ZINC001429408623 1004581124 /nfs/dbraw/zinc/58/11/24/1004581124.db2.gz NHUHGERVMBUJOO-UHFFFAOYSA-N 1 3 309.414 0.177 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001429477195 1004621988 /nfs/dbraw/zinc/62/19/88/1004621988.db2.gz JWBYNNDWXQHQMM-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001429584798 1004682918 /nfs/dbraw/zinc/68/29/18/1004682918.db2.gz KTZBEDUDVPFGKN-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001429584798 1004682925 /nfs/dbraw/zinc/68/29/25/1004682925.db2.gz KTZBEDUDVPFGKN-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001407507012 1004697260 /nfs/dbraw/zinc/69/72/60/1004697260.db2.gz FSEIMXGQCLYLDF-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001407519869 1004708172 /nfs/dbraw/zinc/70/81/72/1004708172.db2.gz VAZGQVKEGKORAG-AWEZNQCLSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)CN1CCC[C@@H]1C ZINC001429676685 1004726462 /nfs/dbraw/zinc/72/64/62/1004726462.db2.gz NCLKYLACGPGMMJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC(=O)N(C)C ZINC001408088260 1005031603 /nfs/dbraw/zinc/03/16/03/1005031603.db2.gz DGEBOTGWQAAITB-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)c1nc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)n[nH]1 ZINC001408091802 1005033778 /nfs/dbraw/zinc/03/37/78/1005033778.db2.gz KSLOKEIBORBKPB-STQMWFEESA-N 1 3 322.457 0.816 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC001408094158 1005036239 /nfs/dbraw/zinc/03/62/39/1005036239.db2.gz BEXFWBIEKJSRSF-OCCSQVGLSA-N 1 3 322.453 0.186 20 0 DCADHO COc1cccc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)n1 ZINC001408106637 1005045811 /nfs/dbraw/zinc/04/58/11/1005045811.db2.gz ZZBLNSOYOWFNQJ-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001408213291 1005109650 /nfs/dbraw/zinc/10/96/50/1005109650.db2.gz XYFYGVABCODPOV-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001408409705 1005193442 /nfs/dbraw/zinc/19/34/42/1005193442.db2.gz GNGPQGTUPJQQPI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001414677995 1005382579 /nfs/dbraw/zinc/38/25/79/1005382579.db2.gz CCKLIIATTNQCLH-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001417031804 1005773587 /nfs/dbraw/zinc/77/35/87/1005773587.db2.gz KJSDLHZCIPAPGQ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001417031804 1005773588 /nfs/dbraw/zinc/77/35/88/1005773588.db2.gz KJSDLHZCIPAPGQ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001417084283 1005780648 /nfs/dbraw/zinc/78/06/48/1005780648.db2.gz AFOWMHWZMLYRPQ-RRFJBIMHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001417787271 1005891047 /nfs/dbraw/zinc/89/10/47/1005891047.db2.gz IPXLWXBLCMXAKN-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001438655832 1005996330 /nfs/dbraw/zinc/99/63/30/1005996330.db2.gz CZGQKPKIEBAQQJ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001438655832 1005996334 /nfs/dbraw/zinc/99/63/34/1005996334.db2.gz CZGQKPKIEBAQQJ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001418074164 1006004795 /nfs/dbraw/zinc/00/47/95/1006004795.db2.gz JEVMYUSGJMSCRS-YDHLFZDLSA-N 1 3 307.442 0.743 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)CCC[NH+](C)C ZINC001514714665 1017018171 /nfs/dbraw/zinc/01/81/71/1017018171.db2.gz OZQYOSKEIYJXMQ-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438680894 1006022591 /nfs/dbraw/zinc/02/25/91/1006022591.db2.gz JORLZYCUGORBCK-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001438680894 1006022599 /nfs/dbraw/zinc/02/25/99/1006022599.db2.gz JORLZYCUGORBCK-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001438731522 1006080741 /nfs/dbraw/zinc/08/07/41/1006080741.db2.gz FUIQMZHECRKKAF-LSDHHAIUSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cnns1 ZINC001438762884 1006100203 /nfs/dbraw/zinc/10/02/03/1006100203.db2.gz CIZWCOMZDWRRJD-DGCLKSJQSA-N 1 3 311.455 0.816 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]21 ZINC001418179926 1006136337 /nfs/dbraw/zinc/13/63/37/1006136337.db2.gz BVPBQYGBTSBYQQ-QMIVOQANSA-N 1 3 315.433 0.748 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)COC)C[C@H]21 ZINC001418179926 1006136341 /nfs/dbraw/zinc/13/63/41/1006136341.db2.gz BVPBQYGBTSBYQQ-QMIVOQANSA-N 1 3 315.433 0.748 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001436359183 1006142599 /nfs/dbraw/zinc/14/25/99/1006142599.db2.gz JWGMDPSVPIJJGP-ZENOOKHLSA-N 1 3 315.433 0.676 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001418241383 1006232091 /nfs/dbraw/zinc/23/20/91/1006232091.db2.gz CWSFYROXQGBYPB-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001418241383 1006232102 /nfs/dbraw/zinc/23/21/02/1006232102.db2.gz CWSFYROXQGBYPB-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418272667 1006284059 /nfs/dbraw/zinc/28/40/59/1006284059.db2.gz SIZJILSKGDZRFB-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](F)CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001439005559 1006346935 /nfs/dbraw/zinc/34/69/35/1006346935.db2.gz XVLAFHGJEZGWNJ-OLZOCXBDSA-N 1 3 301.406 0.430 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001418347545 1006413076 /nfs/dbraw/zinc/41/30/76/1006413076.db2.gz XUANTCYXVKHOAG-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)CC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001439120514 1006488640 /nfs/dbraw/zinc/48/86/40/1006488640.db2.gz QDVKCSGXSBHSIT-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001437024806 1006535614 /nfs/dbraw/zinc/53/56/14/1006535614.db2.gz URXNBWWJNPLPLI-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001437024805 1006535730 /nfs/dbraw/zinc/53/57/30/1006535730.db2.gz URXNBWWJNPLPLI-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439168110 1006540207 /nfs/dbraw/zinc/54/02/07/1006540207.db2.gz PQDLVDPNGXVCHZ-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439168110 1006540215 /nfs/dbraw/zinc/54/02/15/1006540215.db2.gz PQDLVDPNGXVCHZ-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001437147167 1006641085 /nfs/dbraw/zinc/64/10/85/1006641085.db2.gz PABYTEOFVQPTHV-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001437153950 1006647028 /nfs/dbraw/zinc/64/70/28/1006647028.db2.gz VNXCJEGFMLDQIA-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001437153950 1006647030 /nfs/dbraw/zinc/64/70/30/1006647030.db2.gz VNXCJEGFMLDQIA-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)CCC[NH+]1CCCC1 ZINC001439286648 1006658884 /nfs/dbraw/zinc/65/88/84/1006658884.db2.gz WGDVISLUTHWABF-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NCC1CCC1 ZINC001437205143 1006707376 /nfs/dbraw/zinc/70/73/76/1006707376.db2.gz LEOHXHNOVIRYSH-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN(C)CCNC(=O)C1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439365134 1006760986 /nfs/dbraw/zinc/76/09/86/1006760986.db2.gz JWNUINRUGNQNLS-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)CCNC(=O)C1CC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439365134 1006761002 /nfs/dbraw/zinc/76/10/02/1006761002.db2.gz JWNUINRUGNQNLS-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001437260373 1006779684 /nfs/dbraw/zinc/77/96/84/1006779684.db2.gz IVTTXOGRTSNOJH-ZDUSSCGKSA-N 1 3 308.426 0.320 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NCC(C)(C)C ZINC001437264553 1006783931 /nfs/dbraw/zinc/78/39/31/1006783931.db2.gz VTNXJPCILDNUIJ-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001452701722 1006997921 /nfs/dbraw/zinc/99/79/21/1006997921.db2.gz KSCGMGRXJCFAGF-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001452701722 1006997925 /nfs/dbraw/zinc/99/79/25/1006997925.db2.gz KSCGMGRXJCFAGF-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCc2ccc3nonc3c2)CC1 ZINC001439644130 1007109121 /nfs/dbraw/zinc/10/91/21/1007109121.db2.gz ZCRLLTYMNIKWNN-UHFFFAOYSA-N 1 3 317.393 0.913 20 0 DCADHO C[C@@H]1C[C@@H](NCc2nccn2C)CCN1C(=O)CC[NH+](C)C ZINC001439775695 1007188843 /nfs/dbraw/zinc/18/88/43/1007188843.db2.gz SPBLAIYBXLZPAG-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001439818514 1007218948 /nfs/dbraw/zinc/21/89/48/1007218948.db2.gz LNUKCPZVFWKGIC-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC1CCCC1 ZINC001437831623 1007442469 /nfs/dbraw/zinc/44/24/69/1007442469.db2.gz RORYWJVGFMQNAJ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001437983728 1007558519 /nfs/dbraw/zinc/55/85/19/1007558519.db2.gz ALGFCOHSYLSAOJ-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001440316057 1007664950 /nfs/dbraw/zinc/66/49/50/1007664950.db2.gz FJKQMZDIUPSUNK-IYBDPMFKSA-N 1 3 321.469 0.787 20 0 DCADHO Cn1cc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)cn1 ZINC001440389316 1007719211 /nfs/dbraw/zinc/71/92/11/1007719211.db2.gz DCDRSMSDPJOFFF-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001440407932 1007735644 /nfs/dbraw/zinc/73/56/44/1007735644.db2.gz QZJKKKNRJYZSEQ-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccnn1C ZINC001438342014 1007840300 /nfs/dbraw/zinc/84/03/00/1007840300.db2.gz HGPJQRUMSGMISH-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CO[C@@H](C)C[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001440570436 1007895728 /nfs/dbraw/zinc/89/57/28/1007895728.db2.gz GJLXHCXXAZIUMS-LBPRGKRZSA-N 1 3 324.425 0.551 20 0 DCADHO CC(C)N1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001441065529 1008203170 /nfs/dbraw/zinc/20/31/70/1008203170.db2.gz ANJLZOADXDJPBT-HOTGVXAUSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)N1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001441065529 1008203176 /nfs/dbraw/zinc/20/31/76/1008203176.db2.gz ANJLZOADXDJPBT-HOTGVXAUSA-N 1 3 310.486 0.859 20 0 DCADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001441383832 1008341342 /nfs/dbraw/zinc/34/13/42/1008341342.db2.gz DBZRJJDGYIGKKJ-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001441441116 1008357474 /nfs/dbraw/zinc/35/74/74/1008357474.db2.gz PEBWESNQUXOHQT-RBSFLKMASA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NC1CCCC1 ZINC001441502766 1008378846 /nfs/dbraw/zinc/37/88/46/1008378846.db2.gz ATBCREADAZQUJQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001441528345 1008391447 /nfs/dbraw/zinc/39/14/47/1008391447.db2.gz NFAUZCOCNMKCAD-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001441594594 1008417710 /nfs/dbraw/zinc/41/77/10/1008417710.db2.gz TWMAJAYNUXOOGJ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441823487 1008520997 /nfs/dbraw/zinc/52/09/97/1008520997.db2.gz MXHSIRRUDZQLHQ-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001441838532 1008548858 /nfs/dbraw/zinc/54/88/58/1008548858.db2.gz WKFMXHDBPIAHGR-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001453679082 1008660995 /nfs/dbraw/zinc/66/09/95/1008660995.db2.gz CLNZOZMOHNJOHJ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCCC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001421569231 1008743009 /nfs/dbraw/zinc/74/30/09/1008743009.db2.gz AVMIEATUYVOACU-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001421643600 1008855309 /nfs/dbraw/zinc/85/53/09/1008855309.db2.gz GBOUNSUBWRLIKQ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001421643600 1008855326 /nfs/dbraw/zinc/85/53/26/1008855326.db2.gz GBOUNSUBWRLIKQ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNCc1cn(C)nn1)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001421724476 1008989421 /nfs/dbraw/zinc/98/94/21/1008989421.db2.gz WBTHGUSJIDYTDO-CYBMUJFWSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C(C)(C)C ZINC001442176920 1009058409 /nfs/dbraw/zinc/05/84/09/1009058409.db2.gz NIOUNOGLDRSREZ-VXGBXAGGSA-N 1 3 300.447 0.321 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001442233609 1009119016 /nfs/dbraw/zinc/11/90/16/1009119016.db2.gz OMLGZGGUFBFBTK-UYSNPLJNSA-N 1 3 321.469 0.882 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001433743668 1009139066 /nfs/dbraw/zinc/13/90/66/1009139066.db2.gz SIGAOKNQRQXFCF-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001433743668 1009139052 /nfs/dbraw/zinc/13/90/52/1009139052.db2.gz SIGAOKNQRQXFCF-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001442259748 1009142365 /nfs/dbraw/zinc/14/23/65/1009142365.db2.gz JFWPQUSZTDULLS-JXQTWKCFSA-N 1 3 312.458 0.430 20 0 DCADHO CN(CCC[N@H+](C)CCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001421842063 1009154913 /nfs/dbraw/zinc/15/49/13/1009154913.db2.gz UMBBCGUASHDIAT-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCC[N@@H+](C)CCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001421842063 1009154920 /nfs/dbraw/zinc/15/49/20/1009154920.db2.gz UMBBCGUASHDIAT-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001433767636 1009160987 /nfs/dbraw/zinc/16/09/87/1009160987.db2.gz PNAJQARYVNYGMD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001433767636 1009160988 /nfs/dbraw/zinc/16/09/88/1009160988.db2.gz PNAJQARYVNYGMD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)CC(N)=O ZINC001422041149 1009428863 /nfs/dbraw/zinc/42/88/63/1009428863.db2.gz NIFURFSSAMJSGC-UHFFFAOYSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001422158233 1009578928 /nfs/dbraw/zinc/57/89/28/1009578928.db2.gz NQTJZCAPOJJDJJ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](CC1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)C(N)=O ZINC001422210214 1009650152 /nfs/dbraw/zinc/65/01/52/1009650152.db2.gz OJRCXWYEQFJTBD-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@@H+](CC1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)C(N)=O ZINC001422210214 1009650161 /nfs/dbraw/zinc/65/01/61/1009650161.db2.gz OJRCXWYEQFJTBD-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001422332285 1009896447 /nfs/dbraw/zinc/89/64/47/1009896447.db2.gz VITJUSKXMAIPNC-RYUDHWBXSA-N 1 3 310.442 0.232 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001455688320 1009906476 /nfs/dbraw/zinc/90/64/76/1009906476.db2.gz PJFIXKNYDJSGTD-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001455688320 1009906488 /nfs/dbraw/zinc/90/64/88/1009906488.db2.gz PJFIXKNYDJSGTD-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@@H](C)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001455687599 1009908938 /nfs/dbraw/zinc/90/89/38/1009908938.db2.gz PJFIXKNYDJSGTD-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@@H](C)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001455687599 1009908948 /nfs/dbraw/zinc/90/89/48/1009908948.db2.gz PJFIXKNYDJSGTD-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001422414261 1010046760 /nfs/dbraw/zinc/04/67/60/1010046760.db2.gz YGMOQTWOQSERQV-HZPDHXFCSA-N 1 3 322.453 0.543 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422493739 1010177419 /nfs/dbraw/zinc/17/74/19/1010177419.db2.gz WRLWPQWTFDDNAH-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NC)C1 ZINC001443241181 1010256128 /nfs/dbraw/zinc/25/61/28/1010256128.db2.gz BUOJXQVNCFUDOE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NC)C1 ZINC001443241181 1010256131 /nfs/dbraw/zinc/25/61/31/1010256131.db2.gz BUOJXQVNCFUDOE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422546698 1010277933 /nfs/dbraw/zinc/27/79/33/1010277933.db2.gz DBCNPJIPQCRYJG-RDBSUJKOSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422546698 1010277935 /nfs/dbraw/zinc/27/79/35/1010277935.db2.gz DBCNPJIPQCRYJG-RDBSUJKOSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001443334594 1010341635 /nfs/dbraw/zinc/34/16/35/1010341635.db2.gz JGMMTDMIBDKSPU-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001422644833 1010448655 /nfs/dbraw/zinc/44/86/55/1010448655.db2.gz CFSPWYOZVSJBEO-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001422917261 1010737649 /nfs/dbraw/zinc/73/76/49/1010737649.db2.gz KYWSYPMEXGNMID-MGPQQGTHSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCc1cnnn1C ZINC001443916339 1010746993 /nfs/dbraw/zinc/74/69/93/1010746993.db2.gz LFRNJICXWUDRMA-HIFRSBDPSA-N 1 3 322.457 0.672 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCc1cnnn1C ZINC001443916339 1010747000 /nfs/dbraw/zinc/74/70/00/1010747000.db2.gz LFRNJICXWUDRMA-HIFRSBDPSA-N 1 3 322.457 0.672 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCc1cnnn1C ZINC001443916336 1010747792 /nfs/dbraw/zinc/74/77/92/1010747792.db2.gz LFRNJICXWUDRMA-DZGCQCFKSA-N 1 3 322.457 0.672 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCc1cnnn1C ZINC001443916336 1010747796 /nfs/dbraw/zinc/74/77/96/1010747796.db2.gz LFRNJICXWUDRMA-DZGCQCFKSA-N 1 3 322.457 0.672 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001444002635 1010796245 /nfs/dbraw/zinc/79/62/45/1010796245.db2.gz VFEFJJJLGRAFTJ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](CNCc1ccnn1C)C1CC1)[NH+](C)C ZINC001423027586 1010818669 /nfs/dbraw/zinc/81/86/69/1010818669.db2.gz NVGABOYPLBDSMP-JKSUJKDBSA-N 1 3 321.469 0.991 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(CNCC(N)=O)CCCC[C@@H]1C ZINC001444153555 1010884729 /nfs/dbraw/zinc/88/47/29/1010884729.db2.gz MLRWBVJDLYACMA-BBRMVZONSA-N 1 3 312.458 0.468 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(CNCC(N)=O)CCCC[C@@H]1C ZINC001444153555 1010884733 /nfs/dbraw/zinc/88/47/33/1010884733.db2.gz MLRWBVJDLYACMA-BBRMVZONSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)NC1CC1 ZINC001423102636 1010889066 /nfs/dbraw/zinc/88/90/66/1010889066.db2.gz IWUOJOGTFDHMHI-CHWSQXEVSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001444175544 1010892716 /nfs/dbraw/zinc/89/27/16/1010892716.db2.gz VZOUXXSNKLQSPU-IHRRRGAJSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001444265334 1010928776 /nfs/dbraw/zinc/92/87/76/1010928776.db2.gz ZVZAEOSXGHBIPN-CQSZACIVSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001444265334 1010928781 /nfs/dbraw/zinc/92/87/81/1010928781.db2.gz ZVZAEOSXGHBIPN-CQSZACIVSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444312354 1010958262 /nfs/dbraw/zinc/95/82/62/1010958262.db2.gz VXYXTHCUXNMFFS-HIFRSBDPSA-N 1 3 319.453 0.604 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cncn2C)C[C@@H]1C ZINC001423365303 1011104076 /nfs/dbraw/zinc/10/40/76/1011104076.db2.gz XNECFRFSILXXEP-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cncn2C)C[C@@H]1C ZINC001423365303 1011104080 /nfs/dbraw/zinc/10/40/80/1011104080.db2.gz XNECFRFSILXXEP-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444727713 1011149693 /nfs/dbraw/zinc/14/96/93/1011149693.db2.gz NQKQKIBODOUJDC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444727713 1011149700 /nfs/dbraw/zinc/14/97/00/1011149700.db2.gz NQKQKIBODOUJDC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001456519811 1011321598 /nfs/dbraw/zinc/32/15/98/1011321598.db2.gz VELQYYZNTKLQID-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001456519811 1011321612 /nfs/dbraw/zinc/32/16/12/1011321612.db2.gz VELQYYZNTKLQID-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001533425881 1011385297 /nfs/dbraw/zinc/38/52/97/1011385297.db2.gz UOIBTLGACWBPQE-MFHOCJEASA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001423657390 1011395443 /nfs/dbraw/zinc/39/54/43/1011395443.db2.gz SVMPJHUMSLDUTJ-PBHICJAKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001445210227 1011526261 /nfs/dbraw/zinc/52/62/61/1011526261.db2.gz ZDYPQYZKIGRWKA-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445305178 1011633136 /nfs/dbraw/zinc/63/31/36/1011633136.db2.gz RFOYVDVNWGFUQH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445305178 1011633145 /nfs/dbraw/zinc/63/31/45/1011633145.db2.gz RFOYVDVNWGFUQH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445366573 1011699867 /nfs/dbraw/zinc/69/98/67/1011699867.db2.gz MXYMVAZBTXDMEY-DOMZBBRYSA-N 1 3 305.426 0.356 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001423990108 1011811804 /nfs/dbraw/zinc/81/18/04/1011811804.db2.gz IDYCFVRDSMZDEH-GASCZTMLSA-N 1 3 320.441 0.010 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001423990108 1011811821 /nfs/dbraw/zinc/81/18/21/1011811821.db2.gz IDYCFVRDSMZDEH-GASCZTMLSA-N 1 3 320.441 0.010 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)N[C@@H]3CCN(C4CC4)C3)C[C@H]2[NH3+])c1 ZINC001553444731 1011980028 /nfs/dbraw/zinc/98/00/28/1011980028.db2.gz AGRWQUPBYTZZHT-MRVWCRGKSA-N 1 3 318.425 0.093 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC12CCOCC2 ZINC001553451927 1011988392 /nfs/dbraw/zinc/98/83/92/1011988392.db2.gz WWMXADCXZZZPHD-GXTWGEPZSA-N 1 3 308.426 0.372 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553451603 1011989788 /nfs/dbraw/zinc/98/97/88/1011989788.db2.gz UDAWLFOYBXADGG-SQWLQELKSA-N 1 3 310.442 0.539 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)C1(N(C)C)CCC1 ZINC001432122581 1011994140 /nfs/dbraw/zinc/99/41/40/1011994140.db2.gz GRPZDQCFQGISMH-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)C1(N(C)C)CCC1 ZINC001432122581 1011994150 /nfs/dbraw/zinc/99/41/50/1011994150.db2.gz GRPZDQCFQGISMH-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[NH2+]CC1 ZINC001553495940 1012030710 /nfs/dbraw/zinc/03/07/10/1012030710.db2.gz JSHMUHYUKQNHKI-HUUCEWRRSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@]12CC[NH2+]C2 ZINC001553510068 1012050511 /nfs/dbraw/zinc/05/05/11/1012050511.db2.gz POMHTJAMIBJPKE-NVXWUHKLSA-N 1 3 322.453 0.777 20 0 DCADHO C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC[NH2+]CC1 ZINC001553517260 1012061975 /nfs/dbraw/zinc/06/19/75/1012061975.db2.gz JUJPPHXTRMZQSD-IMJJTQAJSA-N 1 3 324.469 0.615 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](CC)C(N)=O)N(C)C ZINC001424136076 1012063197 /nfs/dbraw/zinc/06/31/97/1012063197.db2.gz CDKNPORTCFBJAK-HZSPNIEDSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001424137756 1012067975 /nfs/dbraw/zinc/06/79/75/1012067975.db2.gz IWPJYCRUYPMNAA-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553544006 1012094347 /nfs/dbraw/zinc/09/43/47/1012094347.db2.gz BZMRVVXGSRBGSV-LVQVYYBASA-N 1 3 324.469 0.473 20 0 DCADHO CN1CC[C@@H](N2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001424264206 1012261301 /nfs/dbraw/zinc/26/13/01/1012261301.db2.gz NTSXYRQOBPKQSP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1)[NH+](CC)CC ZINC001432347187 1012349356 /nfs/dbraw/zinc/34/93/56/1012349356.db2.gz CMEMTCAWOZLXRJ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001432411794 1012453556 /nfs/dbraw/zinc/45/35/56/1012453556.db2.gz AIBXMCSXVLUFOH-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001432411794 1012453559 /nfs/dbraw/zinc/45/35/59/1012453559.db2.gz AIBXMCSXVLUFOH-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556280 1012708070 /nfs/dbraw/zinc/70/80/70/1012708070.db2.gz HVTWNUMRUWMWCF-WBMJQRKESA-N 1 3 303.362 0.486 20 0 DCADHO CC[C@H](F)CNC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001446710363 1012913847 /nfs/dbraw/zinc/91/38/47/1012913847.db2.gz LCMRIKKUYOFNRG-ZDUSSCGKSA-N 1 3 303.422 0.941 20 0 DCADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)COC[C@@H]2CCCN21 ZINC001461834320 1013043637 /nfs/dbraw/zinc/04/36/37/1013043637.db2.gz YRFFWIPPOHMYDW-WCXIOVBPSA-N 1 3 309.454 0.429 20 0 DCADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)COC[C@@H]2CCCN21 ZINC001461834320 1013043651 /nfs/dbraw/zinc/04/36/51/1013043651.db2.gz YRFFWIPPOHMYDW-WCXIOVBPSA-N 1 3 309.454 0.429 20 0 DCADHO C[C@H](N[C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001479690580 1017655786 /nfs/dbraw/zinc/65/57/86/1017655786.db2.gz RDJYGIANTJIHTN-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](N[C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001479690583 1017655914 /nfs/dbraw/zinc/65/59/14/1017655914.db2.gz RDJYGIANTJIHTN-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CCC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497054101 1017790594 /nfs/dbraw/zinc/79/05/94/1017790594.db2.gz NMODOTMRZGXNMQ-IUODEOHRSA-N 1 3 303.422 0.676 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC2CN(C[C@H]3CCCCO3)C2)CC1 ZINC001494586614 1017816418 /nfs/dbraw/zinc/81/64/18/1017816418.db2.gz YLRMMDMIGWFAJR-OAHLLOKOSA-N 1 3 309.454 0.945 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)[C@@H]1CCNC1=O ZINC001479861272 1017906487 /nfs/dbraw/zinc/90/64/87/1017906487.db2.gz LXJXYQSKDMSKSS-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)[C@@H]1CCNC1=O ZINC001479861272 1017906497 /nfs/dbraw/zinc/90/64/97/1017906497.db2.gz LXJXYQSKDMSKSS-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497187602 1017951658 /nfs/dbraw/zinc/95/16/58/1017951658.db2.gz DELXYWUQVSSUNC-ZFWWWQNUSA-N 1 3 319.453 0.746 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCN(CC)C1=O ZINC001499943951 1018147235 /nfs/dbraw/zinc/14/72/35/1018147235.db2.gz IQIDBSBDDUSPSM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001480143700 1018251159 /nfs/dbraw/zinc/25/11/59/1018251159.db2.gz JDJXOCGOEKECIK-KKUMJFAQSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001497585174 1018253177 /nfs/dbraw/zinc/25/31/77/1018253177.db2.gz GFTJAFUZQNJRJR-RJBQRTBHSA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001497585174 1018253189 /nfs/dbraw/zinc/25/31/89/1018253189.db2.gz GFTJAFUZQNJRJR-RJBQRTBHSA-N 1 3 310.442 0.113 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@]23CCOC3)C1 ZINC001480173280 1018282226 /nfs/dbraw/zinc/28/22/26/1018282226.db2.gz DERSDIIVONECKB-ANQUJSFKSA-N 1 3 309.454 0.990 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@]23CCOC3)C1 ZINC001480173282 1018283579 /nfs/dbraw/zinc/28/35/79/1018283579.db2.gz DERSDIIVONECKB-KCYZZUKISA-N 1 3 309.454 0.990 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)c1n[nH]c(C)n1 ZINC001495095390 1018306176 /nfs/dbraw/zinc/30/61/76/1018306176.db2.gz VZSHMWNYZGYRHB-WCQYABFASA-N 1 3 320.441 0.754 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)C1=O ZINC001497673045 1018327543 /nfs/dbraw/zinc/32/75/43/1018327543.db2.gz DBYUTPCBRLBJDQ-GXMNPTEKSA-N 1 3 310.442 0.209 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480301711 1018413340 /nfs/dbraw/zinc/41/33/40/1018413340.db2.gz ZVUITVCOQVULMZ-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497817315 1018442871 /nfs/dbraw/zinc/44/28/71/1018442871.db2.gz PCPFNJUKTDSSDU-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO COCCC[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500687099 1018580073 /nfs/dbraw/zinc/58/00/73/1018580073.db2.gz RKPMDCPGAGPTPA-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO COCCC[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500687099 1018580081 /nfs/dbraw/zinc/58/00/81/1018580081.db2.gz RKPMDCPGAGPTPA-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001498061440 1018621094 /nfs/dbraw/zinc/62/10/94/1018621094.db2.gz ZDRNIKIFARNHCV-DZGCQCFKSA-N 1 3 309.458 0.934 20 0 DCADHO CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480609697 1018706417 /nfs/dbraw/zinc/70/64/17/1018706417.db2.gz YPDNFWSUGMMTKW-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001480675076 1018766314 /nfs/dbraw/zinc/76/63/14/1018766314.db2.gz CTCMCOQDTXBOLM-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070586 1018862134 /nfs/dbraw/zinc/86/21/34/1018862134.db2.gz HOMYZTJWVJTEBO-QWHCGFSZSA-N 1 3 321.425 0.305 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CCC(C)(C)C1 ZINC001496058490 1019017908 /nfs/dbraw/zinc/01/79/08/1019017908.db2.gz SNFQSCDNAUYXON-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCC(C)(C)C1 ZINC001496058490 1019017922 /nfs/dbraw/zinc/01/79/22/1019017922.db2.gz SNFQSCDNAUYXON-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001496095697 1019059795 /nfs/dbraw/zinc/05/97/95/1019059795.db2.gz QAUJEKQJHMYMFH-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CCC1 ZINC001493210080 1019204104 /nfs/dbraw/zinc/20/41/04/1019204104.db2.gz GMLKKWQMRURWMF-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CCC1 ZINC001493210080 1019204128 /nfs/dbraw/zinc/20/41/28/1019204128.db2.gz GMLKKWQMRURWMF-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCCNCc1nccn1C)[NH+](C)C ZINC001498611636 1019268078 /nfs/dbraw/zinc/26/80/78/1019268078.db2.gz ZKVRUPZPMYKFCR-OAHLLOKOSA-N 1 3 309.458 0.944 20 0 DCADHO CCn1nncc1C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001498654713 1019306024 /nfs/dbraw/zinc/30/60/24/1019306024.db2.gz HZLVCJAFCVWDDU-UHFFFAOYSA-N 1 3 308.430 0.332 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001498842126 1019463608 /nfs/dbraw/zinc/46/36/08/1019463608.db2.gz DKJPFSMONGOBIE-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@H](CNCCF)C2CC2)CC1 ZINC001498849602 1019470938 /nfs/dbraw/zinc/47/09/38/1019470938.db2.gz XTJWOYFAUXUMOF-CQSZACIVSA-N 1 3 301.406 0.551 20 0 DCADHO CCN(CC)CC(=O)N(CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001496843512 1019688790 /nfs/dbraw/zinc/68/87/90/1019688790.db2.gz OUESPBKGCLJTMQ-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793306 1019715626 /nfs/dbraw/zinc/71/56/26/1019715626.db2.gz GITQDZCXZBAULA-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793306 1019715636 /nfs/dbraw/zinc/71/56/36/1019715636.db2.gz GITQDZCXZBAULA-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001496922582 1019760391 /nfs/dbraw/zinc/76/03/91/1019760391.db2.gz IYZOQGTZOZANOO-HIFRSBDPSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419952825 295890699 /nfs/dbraw/zinc/89/06/99/295890699.db2.gz KDMNSCAULMFCFE-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419767923 283165769 /nfs/dbraw/zinc/16/57/69/283165769.db2.gz TZUUXQNECDJLKZ-AWEZNQCLSA-N 1 3 312.458 0.340 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000427310580 240357308 /nfs/dbraw/zinc/35/73/08/240357308.db2.gz VKMBRRICYPNBPM-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1noc(C)c1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000154129810 291210828 /nfs/dbraw/zinc/21/08/28/291210828.db2.gz XCHBJXABLZTYCE-UHFFFAOYSA-N 1 3 311.430 0.926 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@]2(O)CN3CCC2CC3)CC1 ZINC000566456271 291303606 /nfs/dbraw/zinc/30/36/06/291303606.db2.gz TYKLDHLSPXMSAR-QGZVFWFLSA-N 1 3 309.454 0.680 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@]2(O)CN3CCC2CC3)CC1 ZINC000566456270 291303848 /nfs/dbraw/zinc/30/38/48/291303848.db2.gz TYKLDHLSPXMSAR-KRWDZBQOSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000566511898 291310439 /nfs/dbraw/zinc/31/04/39/291310439.db2.gz CSJKQVMZSZHMCD-TZMCWYRMSA-N 1 3 310.442 0.077 20 0 DCADHO CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000566800271 291324028 /nfs/dbraw/zinc/32/40/28/291324028.db2.gz WIKSWZFCGSLILW-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO [NH3+]C[C@H]1CCCC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422690768 240177333 /nfs/dbraw/zinc/17/73/33/240177333.db2.gz GVZAEGNQFOUDFK-HZPDHXFCSA-N 1 3 318.469 0.706 20 0 DCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000422690768 240177339 /nfs/dbraw/zinc/17/73/39/240177339.db2.gz GVZAEGNQFOUDFK-HZPDHXFCSA-N 1 3 318.469 0.706 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@H](C)C(=O)N(C)CC)CC[NH2+]CC1 ZINC000423070741 240193517 /nfs/dbraw/zinc/19/35/17/240193517.db2.gz NOHXTEQRIGXHKY-OLZOCXBDSA-N 1 3 313.442 0.764 20 0 DCADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])Cc1ccccc1 ZINC000571702044 291528838 /nfs/dbraw/zinc/52/88/38/291528838.db2.gz AQSJNYYIXSDRCB-OAHLLOKOSA-N 1 3 320.437 0.083 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000572111618 291548730 /nfs/dbraw/zinc/54/87/30/291548730.db2.gz MQIOTMGUGIWBKV-ILXRZTDVSA-N 1 3 322.453 0.126 20 0 DCADHO COCCN(C)CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000105147277 194078942 /nfs/dbraw/zinc/07/89/42/194078942.db2.gz MMZKMKFKXFQMEH-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC001646955409 1172600370 /nfs/dbraw/zinc/60/03/70/1172600370.db2.gz FRKUKXMPWZGFFY-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC001646955409 1172600373 /nfs/dbraw/zinc/60/03/73/1172600373.db2.gz FRKUKXMPWZGFFY-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO COCC[NH+]1CCC(N[C@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000344267182 285014171 /nfs/dbraw/zinc/01/41/71/285014171.db2.gz VORMYUQDEGHTIX-GOEBONIOSA-N 1 3 308.426 0.951 20 0 DCADHO CCc1nocc1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000339258984 253047953 /nfs/dbraw/zinc/04/79/53/253047953.db2.gz LJJJITQHSGGANI-UHFFFAOYSA-N 1 3 310.442 0.717 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000339580084 253108200 /nfs/dbraw/zinc/10/82/00/253108200.db2.gz DXXNFKYUDQNTPR-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000339636196 253119507 /nfs/dbraw/zinc/11/95/07/253119507.db2.gz IEEBYRGLDPYCJQ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339962371 253170604 /nfs/dbraw/zinc/17/06/04/253170604.db2.gz AKONSNBLYQITPU-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339962371 253170605 /nfs/dbraw/zinc/17/06/05/253170605.db2.gz AKONSNBLYQITPU-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340207061 253217251 /nfs/dbraw/zinc/21/72/51/253217251.db2.gz ALHVIWZHODRQNZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340207061 253217253 /nfs/dbraw/zinc/21/72/53/253217253.db2.gz ALHVIWZHODRQNZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000340123424 253204117 /nfs/dbraw/zinc/20/41/17/253204117.db2.gz QRSXRUARRNEGBO-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO CCNc1nc(NC2CC[NH+](C)CC2)nc(NC(C)(C)C)n1 ZINC000341352028 253371088 /nfs/dbraw/zinc/37/10/88/253371088.db2.gz NXMPHYPJYOKHIE-UHFFFAOYSA-N 1 3 307.446 0.864 20 0 DCADHO CCN(CC)CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344452022 253784632 /nfs/dbraw/zinc/78/46/32/253784632.db2.gz BDKMOMBMLLPUDO-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000344486175 253788577 /nfs/dbraw/zinc/78/85/77/253788577.db2.gz QPZXVGZUNAEWGO-OAHLLOKOSA-N 1 3 314.474 0.720 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000346287397 254032103 /nfs/dbraw/zinc/03/21/03/254032103.db2.gz DOPBLABSNKMYFL-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000346287397 254032104 /nfs/dbraw/zinc/03/21/04/254032104.db2.gz DOPBLABSNKMYFL-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO Cc1n[nH]cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346645521 254078008 /nfs/dbraw/zinc/07/80/08/254078008.db2.gz DSRHYDVPUTURRK-ZFWWWQNUSA-N 1 3 305.426 0.798 20 0 DCADHO CN(C)c1ncc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000347091495 254128501 /nfs/dbraw/zinc/12/85/01/254128501.db2.gz FXQBVHQHGOQTIO-LLVKDONJSA-N 1 3 311.455 0.496 20 0 DCADHO CC(C)Cn1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000347091820 254128706 /nfs/dbraw/zinc/12/87/06/254128706.db2.gz GQCMJYZMDYHMOY-HNNXBMFYSA-N 1 3 307.442 0.826 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC[N@@H+]1C ZINC000347967783 254206129 /nfs/dbraw/zinc/20/61/29/254206129.db2.gz HARXVRPDLNQMOI-MCIONIFRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC[N@H+]1C ZINC000347967783 254206130 /nfs/dbraw/zinc/20/61/30/254206130.db2.gz HARXVRPDLNQMOI-MCIONIFRSA-N 1 3 310.442 0.138 20 0 DCADHO COC(=O)c1cc(C[NH2+]C2CCN(CCN(C)C)CC2)cn1C ZINC000347917907 254201863 /nfs/dbraw/zinc/20/18/63/254201863.db2.gz HNUCVFMVMVQLFR-UHFFFAOYSA-N 1 3 322.453 0.927 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000348307800 254231460 /nfs/dbraw/zinc/23/14/60/254231460.db2.gz DDIBXJLIARYOJX-UHFFFAOYSA-N 1 3 307.442 0.352 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000348761661 254253014 /nfs/dbraw/zinc/25/30/14/254253014.db2.gz JKJXJMQVNYMPPW-CQSZACIVSA-N 1 3 324.469 0.552 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000348761661 254253016 /nfs/dbraw/zinc/25/30/16/254253016.db2.gz JKJXJMQVNYMPPW-CQSZACIVSA-N 1 3 324.469 0.552 20 0 DCADHO O=C(NCC1CCN(CCO)CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000349722196 254294403 /nfs/dbraw/zinc/29/44/03/254294403.db2.gz KKFWXIMQEKHVIY-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NCC1CCN(CCO)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000349722196 254294405 /nfs/dbraw/zinc/29/44/05/254294405.db2.gz KKFWXIMQEKHVIY-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO C[NH+](C)CCOc1ccc(NC(=O)CCOC2CNC2)cc1 ZINC000348986176 254267504 /nfs/dbraw/zinc/26/75/04/254267504.db2.gz BOSQBCBXWZVBQZ-UHFFFAOYSA-N 1 3 307.394 0.944 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)CCOC2C[NH2+]C2)cc1 ZINC000348986176 254267506 /nfs/dbraw/zinc/26/75/06/254267506.db2.gz BOSQBCBXWZVBQZ-UHFFFAOYSA-N 1 3 307.394 0.944 20 0 DCADHO O=C(CCOC1C[NH2+]C1)NCCCN1CCc2ccccc2C1 ZINC000349000404 254269010 /nfs/dbraw/zinc/26/90/10/254269010.db2.gz MWDYPNLHKRYUHG-UHFFFAOYSA-N 1 3 317.433 0.930 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000349028378 254269845 /nfs/dbraw/zinc/26/98/45/254269845.db2.gz OLIZKRAGMRCEIM-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000350252819 254314962 /nfs/dbraw/zinc/31/49/62/254314962.db2.gz NHNLTGMBEFSDIM-CVEARBPZSA-N 1 3 310.442 0.677 20 0 DCADHO CN(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351535738 254344246 /nfs/dbraw/zinc/34/42/46/254344246.db2.gz MEGWHSJVUUFXJV-GJZGRUSLSA-N 1 3 318.421 0.274 20 0 DCADHO Cc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c(CN(C)C)c1 ZINC000351557300 254346928 /nfs/dbraw/zinc/34/69/28/254346928.db2.gz PYLKEKIHEIBKKI-HNNXBMFYSA-N 1 3 318.421 0.863 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000351863935 254376120 /nfs/dbraw/zinc/37/61/20/254376120.db2.gz VVJATGFEDKUHFV-DGCLKSJQSA-N 1 3 304.394 0.783 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000353636110 285318603 /nfs/dbraw/zinc/31/86/03/285318603.db2.gz FYUAXFDUAWHIAW-LSDHHAIUSA-N 1 3 313.490 0.509 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418745378 262287243 /nfs/dbraw/zinc/28/72/43/262287243.db2.gz GQKOSFWJZIJRHT-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@@H](CNC(=O)c1ccc2cncn2c1)C[NH+]1CCN(C)CC1 ZINC000284390474 131076143 /nfs/dbraw/zinc/07/61/43/131076143.db2.gz PZFDYCIIGYNFSZ-AWEZNQCLSA-N 1 3 315.421 0.948 20 0 DCADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276679278 396021260 /nfs/dbraw/zinc/02/12/60/396021260.db2.gz SPJADPHCIGYWBP-OAGGEKHMSA-N 1 3 303.406 0.663 20 0 DCADHO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCCN(CC2CCCCC2)CC1 ZINC000165652086 396088831 /nfs/dbraw/zinc/08/88/31/396088831.db2.gz NRIWPBKPWLGGLY-HOTGVXAUSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278939368 396141570 /nfs/dbraw/zinc/14/15/70/396141570.db2.gz FXXHQEZGUCYOSE-NSHDSACASA-N 1 3 303.410 0.843 20 0 DCADHO COCC[N@H+](C)CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000171212578 396111352 /nfs/dbraw/zinc/11/13/52/396111352.db2.gz MLJRYDPYBLBGOR-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO COCC[N@@H+](C)CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000171212578 396111354 /nfs/dbraw/zinc/11/13/54/396111354.db2.gz MLJRYDPYBLBGOR-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@H]([NH3+])CC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000261875372 396074844 /nfs/dbraw/zinc/07/48/44/396074844.db2.gz RDPGAZVUMYSWQO-INIZCTEOSA-N 1 3 318.465 1.000 20 0 DCADHO [NH3+]CCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262659034 396169387 /nfs/dbraw/zinc/16/93/87/396169387.db2.gz FFUXFPGAGNUPMM-UHFFFAOYSA-N 1 3 318.421 0.477 20 0 DCADHO C[C@@H](CS(C)(=O)=O)[NH2+]CC1CCN(CCN(C)C)CC1 ZINC000182834220 396255287 /nfs/dbraw/zinc/25/52/87/396255287.db2.gz IDSNFTBRQXYBAI-ZDUSSCGKSA-N 1 3 305.488 0.283 20 0 DCADHO CN(CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000077596734 396227566 /nfs/dbraw/zinc/22/75/66/396227566.db2.gz YKCRLPWKIOFLIN-CQSZACIVSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C[NH+]1CCCC1 ZINC000081266345 396296112 /nfs/dbraw/zinc/29/61/12/396296112.db2.gz WDLGCBWFQCXRQR-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCOC(=O)c1nn(C)cc1CNCC1CC[NH+](CCO)CC1 ZINC000186338900 396347916 /nfs/dbraw/zinc/34/79/16/396347916.db2.gz RZIXMRFXYUEMLT-UHFFFAOYSA-N 1 3 324.425 0.391 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000285804764 396355147 /nfs/dbraw/zinc/35/51/47/396355147.db2.gz QRJAIAAUVBKQDV-LBPRGKRZSA-N 1 3 306.410 0.189 20 0 DCADHO C[NH2+]CCC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000285827350 396356147 /nfs/dbraw/zinc/35/61/47/396356147.db2.gz UMUVRZIDEDVGMT-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000515187036 396501736 /nfs/dbraw/zinc/50/17/36/396501736.db2.gz JRKMHNBKCGOOPF-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)Cc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000580831297 396503120 /nfs/dbraw/zinc/50/31/20/396503120.db2.gz MSFDFEOSJVCJNZ-CQSZACIVSA-N 1 3 304.394 0.555 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000289918494 396466059 /nfs/dbraw/zinc/46/60/59/396466059.db2.gz KEUSFDXPQZNXHF-HNNXBMFYSA-N 1 3 305.422 0.913 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000372099870 396487713 /nfs/dbraw/zinc/48/77/13/396487713.db2.gz ZFBIOCSFDYRLML-KGLIPLIRSA-N 1 3 314.499 0.305 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000372099870 396487715 /nfs/dbraw/zinc/48/77/15/396487715.db2.gz ZFBIOCSFDYRLML-KGLIPLIRSA-N 1 3 314.499 0.305 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000372099869 396487901 /nfs/dbraw/zinc/48/79/01/396487901.db2.gz ZFBIOCSFDYRLML-KBPBESRZSA-N 1 3 314.499 0.305 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000372099869 396487904 /nfs/dbraw/zinc/48/79/04/396487904.db2.gz ZFBIOCSFDYRLML-KBPBESRZSA-N 1 3 314.499 0.305 20 0 DCADHO CC[NH2+]CCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000581300101 396542573 /nfs/dbraw/zinc/54/25/73/396542573.db2.gz OFKITMVESDUCPP-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@H](OC[C@@H]1CCCO1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530644725 396580496 /nfs/dbraw/zinc/58/04/96/396580496.db2.gz HTIIAORWJHOTMZ-GJZGRUSLSA-N 1 3 315.458 0.522 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@@H]1N1CCN(C)CC1 ZINC000584731033 396619383 /nfs/dbraw/zinc/61/93/83/396619383.db2.gz FNORJILLPZWPAH-ILXRZTDVSA-N 1 3 309.458 0.016 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000562689888 396674617 /nfs/dbraw/zinc/67/46/17/396674617.db2.gz SKRHGKGLLCQRTO-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CCCC2)cc1F ZINC000629554306 396785330 /nfs/dbraw/zinc/78/53/30/396785330.db2.gz FMZVWZYPWNZTHD-OAHLLOKOSA-N 1 3 323.412 0.910 20 0 DCADHO Cn1nccc1[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000629579157 396796075 /nfs/dbraw/zinc/79/60/75/396796075.db2.gz APVUFIXXHHNPRC-LZWOXQAQSA-N 1 3 308.426 0.687 20 0 DCADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000633944926 396758883 /nfs/dbraw/zinc/75/88/83/396758883.db2.gz SBJOYEIHDUYVQM-INIZCTEOSA-N 1 3 320.481 0.853 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634258281 396822527 /nfs/dbraw/zinc/82/25/27/396822527.db2.gz DFNSSOBCOPEYIK-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629584703 396801222 /nfs/dbraw/zinc/80/12/22/396801222.db2.gz WHHPLCFAAKIAEQ-JKSUJKDBSA-N 1 3 308.422 0.817 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000321109634 396816278 /nfs/dbraw/zinc/81/62/78/396816278.db2.gz WKYPNJNHPJMNNE-KRWDZBQOSA-N 1 3 316.449 0.627 20 0 DCADHO Cc1c(Cl)c(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1C ZINC000564814051 396873342 /nfs/dbraw/zinc/87/33/42/396873342.db2.gz IBVADFZLSYTLOW-UHFFFAOYSA-N 1 3 315.849 0.947 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000564825161 396875852 /nfs/dbraw/zinc/87/58/52/396875852.db2.gz RXUUDTWSXZIRIE-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332158233 396882445 /nfs/dbraw/zinc/88/24/45/396882445.db2.gz POKFQYFSTHRAAJ-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332158233 396882449 /nfs/dbraw/zinc/88/24/49/396882449.db2.gz POKFQYFSTHRAAJ-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000569977388 396932625 /nfs/dbraw/zinc/93/26/25/396932625.db2.gz MDRXTYPTVPOGHJ-CHWSQXEVSA-N 1 3 306.414 0.102 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333931581 396935590 /nfs/dbraw/zinc/93/55/90/396935590.db2.gz GDDFLIWYHUHJEM-HZPDHXFCSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H]1CCN(CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000571449398 396952759 /nfs/dbraw/zinc/95/27/59/396952759.db2.gz RTHRZSXUUVFJFW-AWEZNQCLSA-N 1 3 305.426 0.420 20 0 DCADHO CS(=O)(=O)N1CCC(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339069773 396955212 /nfs/dbraw/zinc/95/52/12/396955212.db2.gz VRWCYVTUDOUVET-GJZGRUSLSA-N 1 3 315.483 0.874 20 0 DCADHO CS(=O)(=O)N1CCC(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339069773 396955217 /nfs/dbraw/zinc/95/52/17/396955217.db2.gz VRWCYVTUDOUVET-GJZGRUSLSA-N 1 3 315.483 0.874 20 0 DCADHO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339069773 396955220 /nfs/dbraw/zinc/95/52/20/396955220.db2.gz VRWCYVTUDOUVET-GJZGRUSLSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N(C)C1CC1 ZINC000342057807 396984128 /nfs/dbraw/zinc/98/41/28/396984128.db2.gz GDIXZYZEHRGNJN-UMVBOHGHSA-N 1 3 324.469 0.574 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000571936832 397003791 /nfs/dbraw/zinc/00/37/91/397003791.db2.gz ICAKYRKPCPYLJW-KBPBESRZSA-N 1 3 314.426 0.201 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000571936832 397003801 /nfs/dbraw/zinc/00/38/01/397003801.db2.gz ICAKYRKPCPYLJW-KBPBESRZSA-N 1 3 314.426 0.201 20 0 DCADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CCN(C)CC2)C1 ZINC000348069936 397036286 /nfs/dbraw/zinc/03/62/86/397036286.db2.gz IFJBGKCCXALPMA-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH+](CC)CC)C1 ZINC000612552737 397093677 /nfs/dbraw/zinc/09/36/77/397093677.db2.gz QIGCCUAXVTVHLF-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000612549307 397093768 /nfs/dbraw/zinc/09/37/68/397093768.db2.gz XEGIOFFBJGWSLB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000612549307 397093772 /nfs/dbraw/zinc/09/37/72/397093772.db2.gz XEGIOFFBJGWSLB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000572347482 397048737 /nfs/dbraw/zinc/04/87/37/397048737.db2.gz YGKHVVGJDBZKGX-UONOGXRCSA-N 1 3 311.474 0.391 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000572380293 397054786 /nfs/dbraw/zinc/05/47/86/397054786.db2.gz RFRRBYSNJFLXEH-RBSFLKMASA-N 1 3 310.442 0.348 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)CC3([NH3+])CCC3)C2)CC1 ZINC000592219607 397135067 /nfs/dbraw/zinc/13/50/67/397135067.db2.gz PZJHFIAFPLGFCJ-HNNXBMFYSA-N 1 3 308.470 0.885 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612972738 397166846 /nfs/dbraw/zinc/16/68/46/397166846.db2.gz AJJUOHSCJOHCTG-GJZGRUSLSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CC12CC[NH2+]CC2 ZINC000612982191 397170753 /nfs/dbraw/zinc/17/07/53/397170753.db2.gz IKHVLSUCXJTXPT-KBPBESRZSA-N 1 3 310.442 0.275 20 0 DCADHO COC[C@]1(CNC(=O)[C@@H]2CNCc3ccccc32)CCC[NH2+]1 ZINC000573486232 397172661 /nfs/dbraw/zinc/17/26/61/397172661.db2.gz HFUPSNGBDUZPQW-NVXWUHKLSA-N 1 3 303.406 0.758 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC(C[NH+](C)C)CC2)cn1 ZINC000631273629 397198373 /nfs/dbraw/zinc/19/83/73/397198373.db2.gz XTEPVNWDSPDXMM-UHFFFAOYSA-N 1 3 307.442 0.859 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C2([NH3+])CCCC2)CC1 ZINC000592560249 397215838 /nfs/dbraw/zinc/21/58/38/397215838.db2.gz IKZWPYRFIWOQAX-UHFFFAOYSA-N 1 3 311.426 0.649 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CCO1 ZINC000592560473 397216243 /nfs/dbraw/zinc/21/62/43/397216243.db2.gz UYSMCNOILLFRSP-OLZOCXBDSA-N 1 3 321.425 0.122 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)nn1 ZINC000577489528 397335796 /nfs/dbraw/zinc/33/57/96/397335796.db2.gz SSSNYEUKEZSMIF-CQSZACIVSA-N 1 3 320.441 0.717 20 0 DCADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)C1 ZINC000577607107 397344877 /nfs/dbraw/zinc/34/48/77/397344877.db2.gz NWSXYCUQRCABEJ-XGUBFFRZSA-N 1 3 310.442 0.347 20 0 DCADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)C1 ZINC000577607107 397344878 /nfs/dbraw/zinc/34/48/78/397344878.db2.gz NWSXYCUQRCABEJ-XGUBFFRZSA-N 1 3 310.442 0.347 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000418958252 397377270 /nfs/dbraw/zinc/37/72/70/397377270.db2.gz GAMKTAYSPIYTCP-MCIONIFRSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419034475 397378411 /nfs/dbraw/zinc/37/84/11/397378411.db2.gz ZRGHUSDIRQPEPL-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CCN(C2CCC2)C1 ZINC000577269754 397318352 /nfs/dbraw/zinc/31/83/52/397318352.db2.gz OZBNDTUBWALRIX-GDBMZVCRSA-N 1 3 323.485 0.406 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NCC[C@H]2CCC[NH2+]2)CCSC1 ZINC000577367453 397325603 /nfs/dbraw/zinc/32/56/03/397325603.db2.gz IKFRGOHMXHOWPY-TZMCWYRMSA-N 1 3 300.472 0.865 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000457835417 397427114 /nfs/dbraw/zinc/42/71/14/397427114.db2.gz KYUJVEQWGVYRPD-HRCADAONSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000457835417 397427116 /nfs/dbraw/zinc/42/71/16/397427116.db2.gz KYUJVEQWGVYRPD-HRCADAONSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471633382 397448061 /nfs/dbraw/zinc/44/80/61/397448061.db2.gz FWLNJAGUJMURMW-CABCVRRESA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471633382 397448068 /nfs/dbraw/zinc/44/80/68/397448068.db2.gz FWLNJAGUJMURMW-CABCVRRESA-N 1 3 314.474 0.984 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423629420 397397249 /nfs/dbraw/zinc/39/72/49/397397249.db2.gz XEYCDTBSQMBGAO-LSDHHAIUSA-N 1 3 324.469 0.659 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423629420 397397251 /nfs/dbraw/zinc/39/72/51/397397251.db2.gz XEYCDTBSQMBGAO-LSDHHAIUSA-N 1 3 324.469 0.659 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653880 397410072 /nfs/dbraw/zinc/41/00/72/397410072.db2.gz JUMSBWLRSKUTLK-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCCC2 ZINC000578309319 397417904 /nfs/dbraw/zinc/41/79/04/397417904.db2.gz OJSMJNPPLARADZ-UHFFFAOYSA-N 1 3 307.442 0.785 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000578992397 397510835 /nfs/dbraw/zinc/51/08/35/397510835.db2.gz MYXORXQTQYDBLD-NSHDSACASA-N 1 3 310.364 0.410 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000371249603 397563619 /nfs/dbraw/zinc/56/36/19/397563619.db2.gz LTQAIBJGEWXGFE-HOTGVXAUSA-N 1 3 320.481 0.615 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)nn1 ZINC000579587637 397581858 /nfs/dbraw/zinc/58/18/58/397581858.db2.gz ROTGTFRGJHEECR-ZDUSSCGKSA-N 1 3 320.441 0.764 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000604206018 397634734 /nfs/dbraw/zinc/63/47/34/397634734.db2.gz ZVCUXVBSHBMYFZ-ZBFHGGJFSA-N 1 3 324.469 0.615 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000605880940 397673131 /nfs/dbraw/zinc/67/31/31/397673131.db2.gz KFWYNFQNWPCNGR-CABCVRRESA-N 1 3 310.442 0.491 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000605880940 397673133 /nfs/dbraw/zinc/67/31/33/397673133.db2.gz KFWYNFQNWPCNGR-CABCVRRESA-N 1 3 310.442 0.491 20 0 DCADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC000606371596 397679604 /nfs/dbraw/zinc/67/96/04/397679604.db2.gz ICIJRWIIYYHAFI-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CN1CCCC[C@H]1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000606371596 397679605 /nfs/dbraw/zinc/67/96/05/397679605.db2.gz ICIJRWIIYYHAFI-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000607341316 397700781 /nfs/dbraw/zinc/70/07/81/397700781.db2.gz KJOHNOFNYUNRKD-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000607341316 397700786 /nfs/dbraw/zinc/70/07/86/397700786.db2.gz KJOHNOFNYUNRKD-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[N@H+](C)CCCOC)C1(C)C ZINC000188232297 286306586 /nfs/dbraw/zinc/30/65/86/286306586.db2.gz BEWHVTJDEFDAFA-CZUORRHYSA-N 1 3 315.458 0.603 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[N@@H+](C)CCCOC)C1(C)C ZINC000188232297 286306588 /nfs/dbraw/zinc/30/65/88/286306588.db2.gz BEWHVTJDEFDAFA-CZUORRHYSA-N 1 3 315.458 0.603 20 0 DCADHO CCN(C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077574490 158067988 /nfs/dbraw/zinc/06/79/88/158067988.db2.gz ODZSRTCCFNHWQJ-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO CC1(C)NC(=O)N(CCN2CCC(OCCC[NH3+])CC2)C1=O ZINC000317562709 159005428 /nfs/dbraw/zinc/00/54/28/159005428.db2.gz NZPRZSJONQONSV-UHFFFAOYSA-N 1 3 312.414 0.147 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249021717 287105394 /nfs/dbraw/zinc/10/53/94/287105394.db2.gz QSFWMMRATWBVGV-ZIAGYGMSSA-N 1 3 300.447 0.473 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000347058728 287159264 /nfs/dbraw/zinc/15/92/64/287159264.db2.gz XRZQKDMHYCNYAM-HUUCEWRRSA-N 1 3 314.474 0.863 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000347058728 287159266 /nfs/dbraw/zinc/15/92/66/287159266.db2.gz XRZQKDMHYCNYAM-HUUCEWRRSA-N 1 3 314.474 0.863 20 0 DCADHO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CN3CCN1CCC3)CC2 ZINC000355346001 287179948 /nfs/dbraw/zinc/17/99/48/287179948.db2.gz JWKKZQIYGXPSBE-OAHLLOKOSA-N 1 3 306.454 0.463 20 0 DCADHO C[N@H+]1CCCC12CCN(C(=O)[C@H]1CN3CCN1CCC3)CC2 ZINC000355346001 287179950 /nfs/dbraw/zinc/17/99/50/287179950.db2.gz JWKKZQIYGXPSBE-OAHLLOKOSA-N 1 3 306.454 0.463 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000332619238 287218357 /nfs/dbraw/zinc/21/83/57/287218357.db2.gz NJUMLFBZIXCPFI-GBJTYRQASA-N 1 3 322.453 0.267 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000418343912 287244699 /nfs/dbraw/zinc/24/46/99/287244699.db2.gz RLMWVYQJGUMJMO-HUUCEWRRSA-N 1 3 312.458 0.378 20 0 DCADHO COCCNCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418510857 287248890 /nfs/dbraw/zinc/24/88/90/287248890.db2.gz QRBHYNGBFRWRSA-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO COCCNCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418510857 287248891 /nfs/dbraw/zinc/24/88/91/287248891.db2.gz QRBHYNGBFRWRSA-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@]1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCC[NH2+]C1 ZINC000418536094 287250269 /nfs/dbraw/zinc/25/02/69/287250269.db2.gz IGJIZSCAJDKRTQ-ZBFHGGJFSA-N 1 3 312.458 0.522 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)C1 ZINC000419046145 287263829 /nfs/dbraw/zinc/26/38/29/287263829.db2.gz PACXBRTYDLTCTI-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000331590895 415144259 /nfs/dbraw/zinc/14/42/59/415144259.db2.gz YJYUEZRSYAWGQG-KFWWJZLASA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000331590895 415144263 /nfs/dbraw/zinc/14/42/63/415144263.db2.gz YJYUEZRSYAWGQG-KFWWJZLASA-N 1 3 312.458 0.879 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342691280 415256725 /nfs/dbraw/zinc/25/67/25/415256725.db2.gz CFPMZLVQWVBQRV-MJBXVCDLSA-N 1 3 313.442 0.751 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342691280 415256731 /nfs/dbraw/zinc/25/67/31/415256731.db2.gz CFPMZLVQWVBQRV-MJBXVCDLSA-N 1 3 313.442 0.751 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000342699849 415261592 /nfs/dbraw/zinc/26/15/92/415261592.db2.gz WAJYCCBLJLFSJE-KGLIPLIRSA-N 1 3 313.442 0.895 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000342699849 415261602 /nfs/dbraw/zinc/26/16/02/415261602.db2.gz WAJYCCBLJLFSJE-KGLIPLIRSA-N 1 3 313.442 0.895 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)NCCN(C)C2CC2)CC1 ZINC000352740552 415298859 /nfs/dbraw/zinc/29/88/59/415298859.db2.gz SNQREKIIRSATIH-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000332387513 415376430 /nfs/dbraw/zinc/37/64/30/415376430.db2.gz WDYGQNUVMLNJQL-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1)C1CC1 ZINC000343284934 415528485 /nfs/dbraw/zinc/52/84/85/415528485.db2.gz IDKFBMZJKLZTFF-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000343548616 415633182 /nfs/dbraw/zinc/63/31/82/415633182.db2.gz ZJJFEAZLRULJEL-CVEARBPZSA-N 1 3 306.454 0.463 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343821915 415740432 /nfs/dbraw/zinc/74/04/32/415740432.db2.gz XYIQLYOIMTZKRE-HOTGVXAUSA-N 1 3 308.470 0.470 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343821915 415740436 /nfs/dbraw/zinc/74/04/36/415740436.db2.gz XYIQLYOIMTZKRE-HOTGVXAUSA-N 1 3 308.470 0.470 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000290030967 415753694 /nfs/dbraw/zinc/75/36/94/415753694.db2.gz UAMFOHUQULRYAA-AWEZNQCLSA-N 1 3 323.393 0.846 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC[NH3+])c1ccccc1 ZINC000336849611 415835174 /nfs/dbraw/zinc/83/51/74/415835174.db2.gz GYJBGLNATWJMAS-AWEZNQCLSA-N 1 3 306.410 0.261 20 0 DCADHO C[C@@H]1CN(C[C@H](O)Cn2cccn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343921948 415782015 /nfs/dbraw/zinc/78/20/15/415782015.db2.gz JMLGXEFRTZPWNG-IXDOHACOSA-N 1 3 321.469 0.202 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000121934193 415820257 /nfs/dbraw/zinc/82/02/57/415820257.db2.gz IDCCCZHNLGDORZ-XQLPTFJDSA-N 1 3 324.469 0.467 20 0 DCADHO CN(CCCN(C)CC(=O)NC1CCOCC1)CC[NH+](C)C ZINC000344031112 415823972 /nfs/dbraw/zinc/82/39/72/415823972.db2.gz PESRHQDOSDNHQZ-UHFFFAOYSA-N 1 3 314.474 0.097 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000125538719 415868222 /nfs/dbraw/zinc/86/82/22/415868222.db2.gz PJECHBURTMYNEH-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000125538719 415868227 /nfs/dbraw/zinc/86/82/27/415868227.db2.gz PJECHBURTMYNEH-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000126203396 415874720 /nfs/dbraw/zinc/87/47/20/415874720.db2.gz APVRCMKENNLYFD-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000126203396 415874725 /nfs/dbraw/zinc/87/47/25/415874725.db2.gz APVRCMKENNLYFD-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000296276066 415918299 /nfs/dbraw/zinc/91/82/99/415918299.db2.gz DXPUQQXPFBEYGE-AWEZNQCLSA-N 1 3 319.409 0.198 20 0 DCADHO CCNC(=O)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000357326127 416062375 /nfs/dbraw/zinc/06/23/75/416062375.db2.gz WVAYFQXFMVADKW-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000357326127 416062378 /nfs/dbraw/zinc/06/23/78/416062378.db2.gz WVAYFQXFMVADKW-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC2(C)CC[NH+](C)CC2)CC1=O ZINC000357460394 416083641 /nfs/dbraw/zinc/08/36/41/416083641.db2.gz BUSYCWXANMAYII-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357802138 416133920 /nfs/dbraw/zinc/13/39/20/416133920.db2.gz HECIVOVZRBDNEM-YOEHRIQHSA-N 1 3 324.469 0.578 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000339367627 416157230 /nfs/dbraw/zinc/15/72/30/416157230.db2.gz ZMWPLUBQXSJALL-UHFFFAOYSA-N 1 3 300.447 0.548 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340479888 416188006 /nfs/dbraw/zinc/18/80/06/416188006.db2.gz VEYFVNHUVAXKHG-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340479888 416188009 /nfs/dbraw/zinc/18/80/09/416188009.db2.gz VEYFVNHUVAXKHG-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357975082 416163092 /nfs/dbraw/zinc/16/30/92/416163092.db2.gz PHGPDEZRZOPMOF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357975082 416163096 /nfs/dbraw/zinc/16/30/96/416163096.db2.gz PHGPDEZRZOPMOF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357975084 416163226 /nfs/dbraw/zinc/16/32/26/416163226.db2.gz PHGPDEZRZOPMOF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357975084 416163228 /nfs/dbraw/zinc/16/32/28/416163228.db2.gz PHGPDEZRZOPMOF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358708613 416271016 /nfs/dbraw/zinc/27/10/16/416271016.db2.gz QAJSPTYHTDHYRN-MRXNPFEDSA-N 1 3 314.474 0.864 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000342061439 416275579 /nfs/dbraw/zinc/27/55/79/416275579.db2.gz BVEJZOFJSTZQRT-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342061439 416275583 /nfs/dbraw/zinc/27/55/83/416275583.db2.gz BVEJZOFJSTZQRT-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CO[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000359061618 416304564 /nfs/dbraw/zinc/30/45/64/416304564.db2.gz QLHYWFJJBIUUQX-HOTGVXAUSA-N 1 3 324.469 0.168 20 0 DCADHO Cn1ccnc(N2CCN(CCC3CC[NH2+]CC3)CC2)c1=O ZINC000359198878 416311222 /nfs/dbraw/zinc/31/12/22/416311222.db2.gz DGBYKRBXJYNJMY-UHFFFAOYSA-N 1 3 305.426 0.292 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000359260994 416318076 /nfs/dbraw/zinc/31/80/76/416318076.db2.gz JDHQHPLXCMHFNM-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000359260994 416318080 /nfs/dbraw/zinc/31/80/80/416318080.db2.gz JDHQHPLXCMHFNM-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552169 416335589 /nfs/dbraw/zinc/33/55/89/416335589.db2.gz QZRDWUXSYDIWHY-VNQPRFMTSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552169 416335590 /nfs/dbraw/zinc/33/55/90/416335590.db2.gz QZRDWUXSYDIWHY-VNQPRFMTSA-N 1 3 305.422 0.987 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262276937 416336324 /nfs/dbraw/zinc/33/63/24/416336324.db2.gz JWYMBZCSFWDXQX-OAGGEKHMSA-N 1 3 310.486 0.894 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000263278702 416337667 /nfs/dbraw/zinc/33/76/67/416337667.db2.gz ZHUWWOJUBVTZIW-INIZCTEOSA-N 1 3 320.437 0.464 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000415676693 416350804 /nfs/dbraw/zinc/35/08/04/416350804.db2.gz SLZJVSCNOIKJMX-OKILXGFUSA-N 1 3 316.405 0.365 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000415919108 416357924 /nfs/dbraw/zinc/35/79/24/416357924.db2.gz MNJKGHZJGZAXOK-MRXNPFEDSA-N 1 3 306.410 0.984 20 0 DCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@@H](CN)C3CC3)C2)CC1 ZINC000420065748 416416668 /nfs/dbraw/zinc/41/66/68/416416668.db2.gz QCCAFAWNBCUPMD-GJZGRUSLSA-N 1 3 322.453 0.030 20 0 DCADHO COCCNCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000417012381 416381891 /nfs/dbraw/zinc/38/18/91/416381891.db2.gz AEZBEYHQNOJKLM-HUUCEWRRSA-N 1 3 314.474 0.890 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418118834 416385532 /nfs/dbraw/zinc/38/55/32/416385532.db2.gz UKVRKHFJAAELMB-KBPBESRZSA-N 1 3 300.447 0.770 20 0 DCADHO C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)[C@H]1CCC[NH2+]C1 ZINC000418307234 416385999 /nfs/dbraw/zinc/38/59/99/416385999.db2.gz CPKSXEICDHNZSD-KKUMJFAQSA-N 1 3 312.458 0.521 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419292342 416398630 /nfs/dbraw/zinc/39/86/30/416398630.db2.gz YHNBFDSIWWBBAY-OAHLLOKOSA-N 1 3 320.437 0.651 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419292342 416398631 /nfs/dbraw/zinc/39/86/31/416398631.db2.gz YHNBFDSIWWBBAY-OAHLLOKOSA-N 1 3 320.437 0.651 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000419415625 416401410 /nfs/dbraw/zinc/40/14/10/416401410.db2.gz VMJASIIFVQMJIO-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419433959 416401655 /nfs/dbraw/zinc/40/16/55/416401655.db2.gz ZUFWXMRTEIKKBL-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419433959 416401657 /nfs/dbraw/zinc/40/16/57/416401657.db2.gz ZUFWXMRTEIKKBL-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423060978 416461936 /nfs/dbraw/zinc/46/19/36/416461936.db2.gz JHYRKKHONSIXKW-GJZGRUSLSA-N 1 3 324.469 0.101 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000458446582 416471677 /nfs/dbraw/zinc/47/16/77/416471677.db2.gz VSXSSEBNJZUVTO-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C[N@@H+]1C1CC1 ZINC000458511721 416476126 /nfs/dbraw/zinc/47/61/26/416476126.db2.gz JCXNWWYSRDSNAE-RBSFLKMASA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C[N@H+]1C1CC1 ZINC000458511721 416476130 /nfs/dbraw/zinc/47/61/30/416476130.db2.gz JCXNWWYSRDSNAE-RBSFLKMASA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458545629 416479451 /nfs/dbraw/zinc/47/94/51/416479451.db2.gz GQHZWRURUXQHSY-IJEWVQPXSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458545629 416479455 /nfs/dbraw/zinc/47/94/55/416479455.db2.gz GQHZWRURUXQHSY-IJEWVQPXSA-N 1 3 324.469 0.615 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000361718234 416483355 /nfs/dbraw/zinc/48/33/55/416483355.db2.gz LZWLUDURAGWXNJ-ZFWWWQNUSA-N 1 3 301.406 0.647 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000422964114 416452245 /nfs/dbraw/zinc/45/22/45/416452245.db2.gz HUYKQVLGMAUULO-OLMNPRSZSA-N 1 3 303.450 0.993 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423605719 416526385 /nfs/dbraw/zinc/52/63/85/416526385.db2.gz HJPBQOMWAFWICU-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459304368 416529593 /nfs/dbraw/zinc/52/95/93/416529593.db2.gz LIICEGDMMUROFX-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459304368 416529597 /nfs/dbraw/zinc/52/95/97/416529597.db2.gz LIICEGDMMUROFX-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CCO1 ZINC000423748614 416558069 /nfs/dbraw/zinc/55/80/69/416558069.db2.gz ATLJKUSQIQKTMV-FUHWJXTLSA-N 1 3 317.433 0.707 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCC[C@H](C)C1 ZINC000423334103 416493714 /nfs/dbraw/zinc/49/37/14/416493714.db2.gz QLXIMWNYZYEZKS-STQMWFEESA-N 1 3 308.430 0.477 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000534347042 416502546 /nfs/dbraw/zinc/50/25/46/416502546.db2.gz ZIFUZBGFTFCLJI-UHFFFAOYSA-N 1 3 322.453 0.636 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000534347042 416502548 /nfs/dbraw/zinc/50/25/48/416502548.db2.gz ZIFUZBGFTFCLJI-UHFFFAOYSA-N 1 3 322.453 0.636 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000423761712 416561220 /nfs/dbraw/zinc/56/12/20/416561220.db2.gz SBADAYLYWWLHIV-CQSZACIVSA-N 1 3 313.442 0.609 20 0 DCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000424037506 416606146 /nfs/dbraw/zinc/60/61/46/416606146.db2.gz UYSBJDJYXVOCII-ZBFHGGJFSA-N 1 3 309.454 0.992 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424041258 416608176 /nfs/dbraw/zinc/60/81/76/416608176.db2.gz HPKUMQMYQHJUMJ-FJQRJWFBSA-N 1 3 323.437 0.537 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000514859113 416680235 /nfs/dbraw/zinc/68/02/35/416680235.db2.gz JIZLOMHWMVZCSE-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424138370 416615610 /nfs/dbraw/zinc/61/56/10/416615610.db2.gz QCGSXBAEYCRSEN-CHWSQXEVSA-N 1 3 306.414 0.417 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424161760 416619749 /nfs/dbraw/zinc/61/97/49/416619749.db2.gz WBXOVANASFOCCL-QWHCGFSZSA-N 1 3 306.414 0.369 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156408 416620526 /nfs/dbraw/zinc/62/05/26/416620526.db2.gz PEQDLSHMUSTGIS-XBFCOCLRSA-N 1 3 318.425 0.415 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000542246750 416622612 /nfs/dbraw/zinc/62/26/12/416622612.db2.gz VCYAZIKRUPSDFY-BPUTZDHNSA-N 1 3 309.454 0.678 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424521597 416661002 /nfs/dbraw/zinc/66/10/02/416661002.db2.gz LZPHNJSRWKLXPT-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC(N)=O ZINC000426115531 416743577 /nfs/dbraw/zinc/74/35/77/416743577.db2.gz BRKQTCHEWHPFAE-CQSZACIVSA-N 1 3 312.458 0.517 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC(N)=O ZINC000426115531 416743581 /nfs/dbraw/zinc/74/35/81/416743581.db2.gz BRKQTCHEWHPFAE-CQSZACIVSA-N 1 3 312.458 0.517 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000641247784 416750281 /nfs/dbraw/zinc/75/02/81/416750281.db2.gz BBIHQWOVMAMBNK-HIFRSBDPSA-N 1 3 303.410 0.911 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000516875449 416752175 /nfs/dbraw/zinc/75/21/75/416752175.db2.gz QNLRHJCHDXEDES-SJORKVTESA-N 1 3 312.502 0.399 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000516875449 416752180 /nfs/dbraw/zinc/75/21/80/416752180.db2.gz QNLRHJCHDXEDES-SJORKVTESA-N 1 3 312.502 0.399 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000443231471 416739231 /nfs/dbraw/zinc/73/92/31/416739231.db2.gz NFLNYTRIJSFMGN-KGLIPLIRSA-N 1 3 314.474 0.983 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444264962 416824679 /nfs/dbraw/zinc/82/46/79/416824679.db2.gz KMIXGJHBZZDDSJ-NVXWUHKLSA-N 1 3 308.470 0.520 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636619993 416799781 /nfs/dbraw/zinc/79/97/81/416799781.db2.gz RCTKIOUHDUJFSW-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000632016752 416871029 /nfs/dbraw/zinc/87/10/29/416871029.db2.gz BJFOIXVVEYPRMM-AWEZNQCLSA-N 1 3 303.472 0.686 20 0 DCADHO CC[N@H+](CCCC1CCN(CC(=O)NC)CC1)CC(=O)NC ZINC000428297035 416886362 /nfs/dbraw/zinc/88/63/62/416886362.db2.gz SBVGJFRAUWMWIA-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC[N@@H+](CCCC1CCN(CC(=O)NC)CC1)CC(=O)NC ZINC000428297035 416886364 /nfs/dbraw/zinc/88/63/64/416886364.db2.gz SBVGJFRAUWMWIA-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370142455 416888658 /nfs/dbraw/zinc/88/86/58/416888658.db2.gz MKSJKKWTRXQQOO-KRWDZBQOSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000370142455 416888660 /nfs/dbraw/zinc/88/86/60/416888660.db2.gz MKSJKKWTRXQQOO-KRWDZBQOSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(C(=O)CC[N@H+]2CC[C@@H](CN3CCCCC3)C2)CC1 ZINC000370142455 416888662 /nfs/dbraw/zinc/88/86/62/416888662.db2.gz MKSJKKWTRXQQOO-KRWDZBQOSA-N 1 3 322.497 0.958 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000631949685 416827686 /nfs/dbraw/zinc/82/76/86/416827686.db2.gz MJPNQYWQCNQHGY-OAHLLOKOSA-N 1 3 317.499 0.980 20 0 DCADHO CC[C@H](C(=O)N(CC)CCNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000444357356 416835549 /nfs/dbraw/zinc/83/55/49/416835549.db2.gz ODCHRKSAFBMGNW-UONOGXRCSA-N 1 3 314.474 0.632 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000565253457 416959517 /nfs/dbraw/zinc/95/95/17/416959517.db2.gz JMOSNRIORSSGFN-RRFJBIMHSA-N 1 3 324.469 0.467 20 0 DCADHO Nc1nc(N)nc(NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000623814952 416902630 /nfs/dbraw/zinc/90/26/30/416902630.db2.gz ZZNSCNPUAJRMMC-UHFFFAOYSA-N 1 3 313.409 0.717 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000519838623 416946030 /nfs/dbraw/zinc/94/60/30/416946030.db2.gz FCVLMBSAXGEIKZ-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000519838623 416946035 /nfs/dbraw/zinc/94/60/35/416946035.db2.gz FCVLMBSAXGEIKZ-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000376055489 417017017 /nfs/dbraw/zinc/01/70/17/417017017.db2.gz QZVJHUFRRRSYKH-GDBMZVCRSA-N 1 3 303.454 1.122 20 0 DCADHO C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000376055489 417017021 /nfs/dbraw/zinc/01/70/21/417017021.db2.gz QZVJHUFRRRSYKH-GDBMZVCRSA-N 1 3 303.454 1.122 20 0 DCADHO C[C@H]1C[C@@H](CN2CCN(c3ccc4nncn4n3)CC2)CC[NH2+]1 ZINC000521833500 417028166 /nfs/dbraw/zinc/02/81/66/417028166.db2.gz LQQWYRSCLINMTO-KBPBESRZSA-N 1 3 315.425 0.634 20 0 DCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642119475 417029338 /nfs/dbraw/zinc/02/93/38/417029338.db2.gz TZIBWSCLOBKIPR-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)N1CCN(C)CC1 ZINC000520797326 416977981 /nfs/dbraw/zinc/97/79/81/416977981.db2.gz DDVKEXKFJAAJIR-IAGOWNOFSA-N 1 3 312.502 0.303 20 0 DCADHO CC(C)[C@@H](CNC[C@@H](O)C[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000520797326 416977987 /nfs/dbraw/zinc/97/79/87/416977987.db2.gz DDVKEXKFJAAJIR-IAGOWNOFSA-N 1 3 312.502 0.303 20 0 DCADHO CC(C)[C@@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000520797326 416977989 /nfs/dbraw/zinc/97/79/89/416977989.db2.gz DDVKEXKFJAAJIR-IAGOWNOFSA-N 1 3 312.502 0.303 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CCC[C@H](C)C1 ZINC000565481003 416984845 /nfs/dbraw/zinc/98/48/45/416984845.db2.gz KUGHCPXJWHKJKD-XDQVBPFNSA-N 1 3 312.458 0.465 20 0 DCADHO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC[C@H]2CCCN2C)C1 ZINC000447399311 416995571 /nfs/dbraw/zinc/99/55/71/416995571.db2.gz WWBUXUICJWFNNG-ARFHVFGLSA-N 1 3 300.443 0.817 20 0 DCADHO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000447399311 416995579 /nfs/dbraw/zinc/99/55/79/416995579.db2.gz WWBUXUICJWFNNG-ARFHVFGLSA-N 1 3 300.443 0.817 20 0 DCADHO [NH3+]C/C=C/CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000641862791 417014035 /nfs/dbraw/zinc/01/40/35/417014035.db2.gz RYHLPLHVPSKAPR-BDUNBXCCSA-N 1 3 318.421 0.438 20 0 DCADHO Cc1c(C(=O)NC[C@@H]2CCCN2C)nnn1C1CC[NH2+]CC1 ZINC000431063070 417102266 /nfs/dbraw/zinc/10/22/66/417102266.db2.gz XCGDWMJKNQMQAV-ZDUSSCGKSA-N 1 3 306.414 0.335 20 0 DCADHO CN1CCC[C@@]2(CCN(S(=O)(=O)CCC[NH+](C)C)C2)C1 ZINC000632370822 417050870 /nfs/dbraw/zinc/05/08/70/417050870.db2.gz LHAQZEWULBWOAK-CQSZACIVSA-N 1 3 303.472 0.686 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642431218 417052811 /nfs/dbraw/zinc/05/28/11/417052811.db2.gz ZVDGCEXMDOTGCS-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000642439915 417056009 /nfs/dbraw/zinc/05/60/09/417056009.db2.gz ROLRHLPFDHQDCD-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000568093409 417078599 /nfs/dbraw/zinc/07/85/99/417078599.db2.gz QNJGUDOPGMVERR-UHFFFAOYSA-N 1 3 312.458 0.422 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000637379268 417082987 /nfs/dbraw/zinc/08/29/87/417082987.db2.gz LCHSSYVSBGFTNZ-CQSZACIVSA-N 1 3 310.442 0.587 20 0 DCADHO C[C@@H]([NH3+])C1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000430942075 417088094 /nfs/dbraw/zinc/08/80/94/417088094.db2.gz KOHXSHICJHYJCQ-CYBMUJFWSA-N 1 3 308.470 0.789 20 0 DCADHO [NH3+]C[C@H]1CCN(CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430958889 417092015 /nfs/dbraw/zinc/09/20/15/417092015.db2.gz ZSOFDBCORSXWTM-CQSZACIVSA-N 1 3 304.394 0.683 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000642773300 417093197 /nfs/dbraw/zinc/09/31/97/417093197.db2.gz LAPGEPYKEKYJCM-XGUBFFRZSA-N 1 3 322.453 0.173 20 0 DCADHO COC1CCN(CCNC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000637410469 417095534 /nfs/dbraw/zinc/09/55/34/417095534.db2.gz QEMCIKDRHNBOEU-UHFFFAOYSA-N 1 3 300.447 0.785 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000642809746 417107371 /nfs/dbraw/zinc/10/73/71/417107371.db2.gz DTHHSJDTGSANEV-RDBSUJKOSA-N 1 3 322.453 0.043 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903951 417115754 /nfs/dbraw/zinc/11/57/54/417115754.db2.gz PGLCHCJNVSDUGQ-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000642909789 417120047 /nfs/dbraw/zinc/12/00/47/417120047.db2.gz UJUNFGAHTAURBA-NSHDSACASA-N 1 3 312.439 0.102 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000642911564 417121028 /nfs/dbraw/zinc/12/10/28/417121028.db2.gz FXLOIRVDYZOADC-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000632487164 417121461 /nfs/dbraw/zinc/12/14/61/417121461.db2.gz AKMOUHQKEDEUNH-UHFFFAOYSA-N 1 3 324.425 0.156 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642929553 417128515 /nfs/dbraw/zinc/12/85/15/417128515.db2.gz AQKQTCJTKUXRLX-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430715053 287349661 /nfs/dbraw/zinc/34/96/61/287349661.db2.gz QXSWUOKPFBSTGG-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCN(C)C2CCCC2)C[C@H](C)O1 ZINC000568857829 417184558 /nfs/dbraw/zinc/18/45/58/417184558.db2.gz RCYMBDLMUAWXJH-UXLLHSPISA-N 1 3 313.486 0.921 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637804439 417188916 /nfs/dbraw/zinc/18/89/16/417188916.db2.gz OOLMSJJRCKKVNO-GHJWDPDVSA-N 1 3 307.394 0.578 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000637820049 417196432 /nfs/dbraw/zinc/19/64/32/417196432.db2.gz UHXKBLJUQLBCMS-UYSNPLJNSA-N 1 3 304.438 0.832 20 0 DCADHO CN(C)C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000569094629 417213390 /nfs/dbraw/zinc/21/33/90/417213390.db2.gz USSKNTRXCCWEQT-BARDWOONSA-N 1 3 306.385 0.945 20 0 DCADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000643464931 417213901 /nfs/dbraw/zinc/21/39/01/417213901.db2.gz FKUHJULENZSIQA-XHSDSOJGSA-N 1 3 324.469 0.169 20 0 DCADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000643464929 417214269 /nfs/dbraw/zinc/21/42/69/417214269.db2.gz FKUHJULENZSIQA-BZUAXINKSA-N 1 3 324.469 0.169 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643482902 417221848 /nfs/dbraw/zinc/22/18/48/417221848.db2.gz TWEMWESJMZVEPN-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000643500643 417227857 /nfs/dbraw/zinc/22/78/57/417227857.db2.gz PLSZDNGLQDDJBV-ZDUSSCGKSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000569746046 417289817 /nfs/dbraw/zinc/28/98/17/417289817.db2.gz WVBHWBUAAZKHIH-KKUMJFAQSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150719 417233681 /nfs/dbraw/zinc/23/36/81/417233681.db2.gz GPRGQJIRMKHDNK-CZUORRHYSA-N 1 3 308.470 0.789 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150708 417235421 /nfs/dbraw/zinc/23/54/21/417235421.db2.gz GPRGQJIRMKHDNK-BBRMVZONSA-N 1 3 308.470 0.789 20 0 DCADHO C[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)Cn1ccnc1 ZINC000433156725 417235999 /nfs/dbraw/zinc/23/59/99/417235999.db2.gz CKSITWADMSMOPK-AWEZNQCLSA-N 1 3 307.442 0.839 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627117867 417238673 /nfs/dbraw/zinc/23/86/73/417238673.db2.gz YEYKKFXGERWVAK-CVEARBPZSA-N 1 3 324.469 0.879 20 0 DCADHO O=C(NCCN1CCCCCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000569357666 417245022 /nfs/dbraw/zinc/24/50/22/417245022.db2.gz WEKSHISKVZTNQE-AWEZNQCLSA-N 1 3 320.441 0.636 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569392101 417248163 /nfs/dbraw/zinc/24/81/63/417248163.db2.gz ULNHSGRQRVHOKF-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569392101 417248171 /nfs/dbraw/zinc/24/81/71/417248171.db2.gz ULNHSGRQRVHOKF-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433375524 417258782 /nfs/dbraw/zinc/25/87/82/417258782.db2.gz LOLGTHLHPJSHDE-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433375492 417261062 /nfs/dbraw/zinc/26/10/62/417261062.db2.gz LMMDURKVCWUMJB-MGPQQGTHSA-N 1 3 318.425 0.511 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638145248 417352671 /nfs/dbraw/zinc/35/26/71/417352671.db2.gz QIMSPIVZYKMFDX-LLVKDONJSA-N 1 3 319.409 0.628 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C2 ZINC000570451659 417357025 /nfs/dbraw/zinc/35/70/25/417357025.db2.gz QVJUAXUTKPAJNK-UKRRQHHQSA-N 1 3 322.453 0.086 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)C2 ZINC000570451659 417357032 /nfs/dbraw/zinc/35/70/32/417357032.db2.gz QVJUAXUTKPAJNK-UKRRQHHQSA-N 1 3 322.453 0.086 20 0 DCADHO CN(C)CCn1c2cc(C(=O)NCC3C[NH2+]C3)ccc2[nH]c1=O ZINC000638153280 417357426 /nfs/dbraw/zinc/35/74/26/417357426.db2.gz MTZHFSGSRPJBHJ-UHFFFAOYSA-N 1 3 317.393 0.253 20 0 DCADHO COC[C@]1(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCCCN1 ZINC000638153680 417357628 /nfs/dbraw/zinc/35/76/28/417357628.db2.gz ISYATOFDQVXTCG-INIZCTEOSA-N 1 3 304.394 0.825 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000415296183 417358498 /nfs/dbraw/zinc/35/84/98/417358498.db2.gz ILQPUOCYJNXRII-AWEZNQCLSA-N 1 3 318.421 0.815 20 0 DCADHO CN(C)CCn1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000638166097 417358910 /nfs/dbraw/zinc/35/89/10/417358910.db2.gz UUVNFNFKLQWXOC-QEJZJMRPSA-N 1 3 305.426 0.644 20 0 DCADHO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000570509109 417361495 /nfs/dbraw/zinc/36/14/95/417361495.db2.gz SQTCYVKZZUMTGL-JJXSEGSLSA-N 1 3 301.475 0.776 20 0 DCADHO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@]2(C)CNCCO2)C[C@H](C)O1 ZINC000638074899 417309141 /nfs/dbraw/zinc/30/91/41/417309141.db2.gz BPRQCDROYYEMRG-LZWOXQAQSA-N 1 3 313.442 0.371 20 0 DCADHO C[C@@H]1C[N@H+](CCCCNC(=O)[C@]2(C)CNCCO2)C[C@H](C)O1 ZINC000638074899 417309145 /nfs/dbraw/zinc/30/91/45/417309145.db2.gz BPRQCDROYYEMRG-LZWOXQAQSA-N 1 3 313.442 0.371 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN(C)C(C)C)cc1 ZINC000414887819 417314411 /nfs/dbraw/zinc/31/44/11/417314411.db2.gz XCKGCIKAIGMSRW-UHFFFAOYSA-N 1 3 306.410 0.801 20 0 DCADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCCNCC1 ZINC000415313369 417362913 /nfs/dbraw/zinc/36/29/13/417362913.db2.gz VJZSKKJCTIPXHW-UHFFFAOYSA-N 1 3 318.421 0.551 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000570154966 417319072 /nfs/dbraw/zinc/31/90/72/417319072.db2.gz GSIADPZCTRMGOB-HNNXBMFYSA-N 1 3 301.475 0.636 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)CN1CC[NH2+]CC1 ZINC000638085185 417320540 /nfs/dbraw/zinc/32/05/40/417320540.db2.gz OVZZTFTXMXFVDL-UHFFFAOYSA-N 1 3 320.437 0.148 20 0 DCADHO CCS(=O)(=O)NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415077740 417329733 /nfs/dbraw/zinc/32/97/33/417329733.db2.gz HZHUONLMNOJJDH-MJBXVCDLSA-N 1 3 303.472 0.826 20 0 DCADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC[C@H]2CCC[NH2+]C2)cn1 ZINC000415111223 417333040 /nfs/dbraw/zinc/33/30/40/417333040.db2.gz UEDQNYWHMGVKCT-BPUTZDHNSA-N 1 3 309.433 0.922 20 0 DCADHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)sn1 ZINC000621884633 417333017 /nfs/dbraw/zinc/33/30/17/417333017.db2.gz SKKMLMVAGUENAY-UHFFFAOYSA-N 1 3 300.428 0.717 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000570305313 417338337 /nfs/dbraw/zinc/33/83/37/417338337.db2.gz GFGUSBGDWKHTBZ-UHFFFAOYSA-N 1 3 306.410 0.802 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000627309631 417343707 /nfs/dbraw/zinc/34/37/07/417343707.db2.gz WEASYZQGHFHBBT-UHFFFAOYSA-N 1 3 320.437 0.432 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000627309631 417343714 /nfs/dbraw/zinc/34/37/14/417343714.db2.gz WEASYZQGHFHBBT-UHFFFAOYSA-N 1 3 320.437 0.432 20 0 DCADHO C[C@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@H]1C[NH3+] ZINC000415210965 417343780 /nfs/dbraw/zinc/34/37/80/417343780.db2.gz ISVBAENQDAPACG-STQMWFEESA-N 1 3 308.430 1.036 20 0 DCADHO COC[C@@]1(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000570697463 417384872 /nfs/dbraw/zinc/38/48/72/417384872.db2.gz MWXGTTWFJMBDLH-ZBFHGGJFSA-N 1 3 310.442 0.635 20 0 DCADHO CO[C@H]1CN[C@](C)(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC000638231405 417385513 /nfs/dbraw/zinc/38/55/13/417385513.db2.gz MNQDNBMBCKNUSB-QIBSRJKCSA-N 1 3 310.423 0.665 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCCN(CCCO)C2)cn1 ZINC000633256576 417396065 /nfs/dbraw/zinc/39/60/65/417396065.db2.gz MWKZFDUNFXSURJ-HNNXBMFYSA-N 1 3 323.441 0.021 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638265042 417396231 /nfs/dbraw/zinc/39/62/31/417396231.db2.gz BHIZMMPMTSHZNO-GVDBMIGSSA-N 1 3 316.449 0.656 20 0 DCADHO C[C@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)N1CC(C)C1 ZINC000570861547 417401949 /nfs/dbraw/zinc/40/19/49/417401949.db2.gz NLDKBSOSYCLDFV-OAHLLOKOSA-N 1 3 310.486 0.859 20 0 DCADHO COCCN(CC[NH+](C)C)C(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000638278989 417402130 /nfs/dbraw/zinc/40/21/30/417402130.db2.gz WXKKCSRHHWBVRD-MRXNPFEDSA-N 1 3 323.437 0.602 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638177029 417367614 /nfs/dbraw/zinc/36/76/14/417367614.db2.gz HFMZYWSGIFQTCN-VNQPRFMTSA-N 1 3 304.438 0.560 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196417 417374150 /nfs/dbraw/zinc/37/41/50/417374150.db2.gz VRSZFJKCXJREHL-HNNXBMFYSA-N 1 3 304.438 0.786 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC(C)([NH3+])CC1 ZINC000638195039 417374411 /nfs/dbraw/zinc/37/44/11/417374411.db2.gz BNBDHMUHPHSSDD-UHFFFAOYSA-N 1 3 301.431 0.311 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000627362937 417374603 /nfs/dbraw/zinc/37/46/03/417374603.db2.gz AXLSZYOLTILHDD-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000627362937 417374609 /nfs/dbraw/zinc/37/46/09/417374609.db2.gz AXLSZYOLTILHDD-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000415372710 417375278 /nfs/dbraw/zinc/37/52/78/417375278.db2.gz HUJXQAQPHBHTMP-OAHLLOKOSA-N 1 3 318.421 0.897 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000638209554 417375861 /nfs/dbraw/zinc/37/58/61/417375861.db2.gz DRDALDJFPJGXPD-BMFZPTHFSA-N 1 3 304.438 0.702 20 0 DCADHO [NH3+]C1(CNC(=O)CN2CCNCC2)C2CC3CC(C2)CC1C3 ZINC000638350755 417431779 /nfs/dbraw/zinc/43/17/79/417431779.db2.gz FECAAKYZIXLCIV-UHFFFAOYSA-N 1 3 306.454 0.161 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638398586 417443112 /nfs/dbraw/zinc/44/31/12/417443112.db2.gz VJUDIBZEDVUQQL-VNQPRFMTSA-N 1 3 304.438 0.784 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638398585 417444367 /nfs/dbraw/zinc/44/43/67/417444367.db2.gz VJUDIBZEDVUQQL-KBMXLJTQSA-N 1 3 304.438 0.784 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000638427310 417452767 /nfs/dbraw/zinc/45/27/67/417452767.db2.gz ZFHKKQWHYMPVMN-DZKIICNBSA-N 1 3 311.426 0.123 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426665 417453655 /nfs/dbraw/zinc/45/36/55/417453655.db2.gz FFBWGWFTLYLTJY-CKDBGZEDSA-N 1 3 302.422 0.314 20 0 DCADHO CCN(CC[NH3+])C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638515914 417479895 /nfs/dbraw/zinc/47/98/95/417479895.db2.gz HOEXKGFYZYLLRJ-UHFFFAOYSA-N 1 3 319.409 0.724 20 0 DCADHO CN1CCC(O)(C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638682149 417535988 /nfs/dbraw/zinc/53/59/88/417535988.db2.gz RLYWXDPSBWWPCW-UHFFFAOYSA-N 1 3 301.337 0.790 20 0 DCADHO C(CN1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1)N1CCOCC1 ZINC000530177333 417546808 /nfs/dbraw/zinc/54/68/08/417546808.db2.gz GCYZWLFTJKQJFF-QGZVFWFLSA-N 1 3 322.497 0.657 20 0 DCADHO CN(C)C(=O)CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634699517 417526287 /nfs/dbraw/zinc/52/62/87/417526287.db2.gz KQQWNAXDNHVUMJ-KRWDZBQOSA-N 1 3 305.422 0.691 20 0 DCADHO CN(C)C(=O)CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699517 417526291 /nfs/dbraw/zinc/52/62/91/417526291.db2.gz KQQWNAXDNHVUMJ-KRWDZBQOSA-N 1 3 305.422 0.691 20 0 DCADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000638977420 417595060 /nfs/dbraw/zinc/59/50/60/417595060.db2.gz LKEDHDMMTNNWOO-GOEBONIOSA-N 1 3 321.425 0.855 20 0 DCADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000455429036 417605284 /nfs/dbraw/zinc/60/52/84/417605284.db2.gz IXCCCGICBSHACZ-KBPBESRZSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638849086 417568621 /nfs/dbraw/zinc/56/86/21/417568621.db2.gz CAFSIKHCTNTPLP-PQEBFOHHSA-N 1 3 317.433 0.987 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638849086 417568627 /nfs/dbraw/zinc/56/86/27/417568627.db2.gz CAFSIKHCTNTPLP-PQEBFOHHSA-N 1 3 317.433 0.987 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000577122314 417666996 /nfs/dbraw/zinc/66/69/96/417666996.db2.gz QHCRJCHGXVNCPV-HOTGVXAUSA-N 1 3 300.443 0.817 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000577122314 417667001 /nfs/dbraw/zinc/66/70/01/417667001.db2.gz QHCRJCHGXVNCPV-HOTGVXAUSA-N 1 3 300.443 0.817 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000577209105 417674511 /nfs/dbraw/zinc/67/45/11/417674511.db2.gz HVSIDYBZIGVUEO-UHFFFAOYSA-N 1 3 320.397 0.229 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000635485736 417676320 /nfs/dbraw/zinc/67/63/20/417676320.db2.gz DWUZRWVCOVIJTN-AWEZNQCLSA-N 1 3 322.453 0.269 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635558639 417701869 /nfs/dbraw/zinc/70/18/69/417701869.db2.gz BUYVIUXSJDRDAP-HNNXBMFYSA-N 1 3 310.486 0.718 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000580467778 417704931 /nfs/dbraw/zinc/70/49/31/417704931.db2.gz QCXFUBNEKWQTTG-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(c1cccc2c1CNC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662517237 417789449 /nfs/dbraw/zinc/78/94/49/417789449.db2.gz SDDKAYSJVIXHSE-CQSZACIVSA-N 1 3 300.406 0.410 20 0 DCADHO COC[C@]1(CNC(=O)c2cc3c(s2)CCNC3)CCC[NH2+]1 ZINC000662562651 417806301 /nfs/dbraw/zinc/80/63/01/417806301.db2.gz JNMVXMHQOSCITP-OAHLLOKOSA-N 1 3 309.435 0.892 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000646221363 417816006 /nfs/dbraw/zinc/81/60/06/417816006.db2.gz FKSCCPIUZFGVJT-GOEBONIOSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000646221363 417816012 /nfs/dbraw/zinc/81/60/12/417816012.db2.gz FKSCCPIUZFGVJT-GOEBONIOSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(N[C@H]1CCCN(CCCO)C1)C12CCC[NH+](CCC1)C2 ZINC000635976816 417821664 /nfs/dbraw/zinc/82/16/64/417821664.db2.gz NSXQQZUTZJJKDM-HNNXBMFYSA-N 1 3 309.454 0.825 20 0 DCADHO COCCN(C)CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652131353 417849186 /nfs/dbraw/zinc/84/91/86/417849186.db2.gz WENBTQHKJUMWTJ-UHFFFAOYSA-N 1 3 300.447 0.644 20 0 DCADHO COCCN1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662690574 417856331 /nfs/dbraw/zinc/85/63/31/417856331.db2.gz BGHAYNFKXUTTCT-ZDUSSCGKSA-N 1 3 323.359 0.755 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662708616 417863517 /nfs/dbraw/zinc/86/35/17/417863517.db2.gz NWPTZIGUPFTLFJ-OAGGEKHMSA-N 1 3 307.438 0.887 20 0 DCADHO NCc1cccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000646580135 417872898 /nfs/dbraw/zinc/87/28/98/417872898.db2.gz YQHRQURZELHQCF-ZDUSSCGKSA-N 1 3 300.366 0.914 20 0 DCADHO COC1CCN(CCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662746314 417881003 /nfs/dbraw/zinc/88/10/03/417881003.db2.gz JQUFNWNMXPVGOL-CYBMUJFWSA-N 1 3 323.359 0.755 20 0 DCADHO Cc1nnc(CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000636162294 417888431 /nfs/dbraw/zinc/88/84/31/417888431.db2.gz XPDSFNFOSSBHOC-LBPRGKRZSA-N 1 3 311.430 0.699 20 0 DCADHO Cc1nnc(CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000636162294 417888436 /nfs/dbraw/zinc/88/84/36/417888436.db2.gz XPDSFNFOSSBHOC-LBPRGKRZSA-N 1 3 311.430 0.699 20 0 DCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662802179 417909881 /nfs/dbraw/zinc/90/98/81/417909881.db2.gz ZMIYBAGDBQEISV-VNQPRFMTSA-N 1 3 305.422 0.987 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[C@H](C)[NH3+] ZINC000646002859 417844644 /nfs/dbraw/zinc/84/46/44/417844644.db2.gz HPRUSPZXFUDEOS-XHSDSOJGSA-N 1 3 310.486 0.844 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662675088 417845560 /nfs/dbraw/zinc/84/55/60/417845560.db2.gz JDPUYFGYSONHAQ-JKSUJKDBSA-N 1 3 321.421 0.607 20 0 DCADHO CC[C@@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019789 417978487 /nfs/dbraw/zinc/97/84/87/417978487.db2.gz VCTUTNMSZDYMAX-QWHCGFSZSA-N 1 3 320.441 0.263 20 0 DCADHO [NH3+]CCCCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857713 417927578 /nfs/dbraw/zinc/92/75/78/417927578.db2.gz CMMCKACDPVXUNU-INIZCTEOSA-N 1 3 305.422 0.998 20 0 DCADHO C[C@@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[NH2+]C1 ZINC000662858276 417929200 /nfs/dbraw/zinc/92/92/00/417929200.db2.gz FXICHIMOYADDFL-FUHWJXTLSA-N 1 3 317.433 0.869 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000652713719 417954260 /nfs/dbraw/zinc/95/42/60/417954260.db2.gz VUCTTYLGRJRJKF-CQSZACIVSA-N 1 3 322.453 0.318 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@@H]1[NH3+] ZINC000652731458 417958272 /nfs/dbraw/zinc/95/82/72/417958272.db2.gz LFXFDMHAJJZPCS-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662942225 417959044 /nfs/dbraw/zinc/95/90/44/417959044.db2.gz JJOHEIJSVNBYOM-OLZOCXBDSA-N 1 3 310.442 0.267 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000652731905 417959398 /nfs/dbraw/zinc/95/93/98/417959398.db2.gz YBTNQRRJACBMON-CQSZACIVSA-N 1 3 310.442 0.271 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652737583 417963199 /nfs/dbraw/zinc/96/31/99/417963199.db2.gz NYVVADQAVZGZJW-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000658516650 417980178 /nfs/dbraw/zinc/98/01/78/417980178.db2.gz ODHPHOHFIKEUTA-HNNXBMFYSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658454918 417969376 /nfs/dbraw/zinc/96/93/76/417969376.db2.gz JQRUNUOUOZZJEW-UHFFFAOYSA-N 1 3 312.458 0.053 20 0 DCADHO CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[C@H]1CCN(CC)C1 ZINC000658820090 418026649 /nfs/dbraw/zinc/02/66/49/418026649.db2.gz CAXSHARHFNFEOJ-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[C@H]1CCN(CC)C1 ZINC000658820090 418026651 /nfs/dbraw/zinc/02/66/51/418026651.db2.gz CAXSHARHFNFEOJ-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000653108378 418027808 /nfs/dbraw/zinc/02/78/08/418027808.db2.gz UYDOSBLQQALPCM-OAHLLOKOSA-N 1 3 308.426 0.845 20 0 DCADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653148012 418035938 /nfs/dbraw/zinc/03/59/38/418035938.db2.gz KNKSEFWFUKECMI-MRXNPFEDSA-N 1 3 306.454 0.856 20 0 DCADHO CC(C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000658944888 418040162 /nfs/dbraw/zinc/04/01/62/418040162.db2.gz LDSAWXRXLWMUFR-UPJWGTAASA-N 1 3 302.440 0.800 20 0 DCADHO NC[C@@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000647078593 417982376 /nfs/dbraw/zinc/98/23/76/417982376.db2.gz HHHFLRVNLOHTSA-HZPDHXFCSA-N 1 3 317.433 0.943 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659528632 418111300 /nfs/dbraw/zinc/11/13/00/418111300.db2.gz FEIJCJCYTLZVTR-XJKSGUPXSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659531031 418112739 /nfs/dbraw/zinc/11/27/39/418112739.db2.gz NQPBNDBAVGUWPT-CYBMUJFWSA-N 1 3 305.426 0.940 20 0 DCADHO [NH3+]CC1(CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000659559487 418119366 /nfs/dbraw/zinc/11/93/66/418119366.db2.gz NNDRWASCVORLKL-AWEZNQCLSA-N 1 3 310.442 0.668 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CNCc2ccccc21 ZINC000647778881 418054311 /nfs/dbraw/zinc/05/43/11/418054311.db2.gz CQFYOWGEHORKJA-INIZCTEOSA-N 1 3 302.422 0.237 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[N@@H+]1C ZINC000653397500 418069130 /nfs/dbraw/zinc/06/91/30/418069130.db2.gz VNZUXFOOXSMFHV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[N@H+]1C ZINC000653397500 418069132 /nfs/dbraw/zinc/06/91/32/418069132.db2.gz VNZUXFOOXSMFHV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)c1cn(CC[NH3+])nn1 ZINC000659320034 418080844 /nfs/dbraw/zinc/08/08/44/418080844.db2.gz ALVAVVKCYGMJMK-UHFFFAOYSA-N 1 3 322.438 0.502 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000659321454 418081019 /nfs/dbraw/zinc/08/10/19/418081019.db2.gz AICYLKXKYUIYPM-CYBMUJFWSA-N 1 3 302.382 0.229 20 0 DCADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000659358388 418085706 /nfs/dbraw/zinc/08/57/06/418085706.db2.gz JCOIJKHISUDCTH-CYBMUJFWSA-N 1 3 320.437 0.798 20 0 DCADHO CCC[C@@H]1CN(C[C@H](O)C[N@H+](C)CC)CCN1CCOC ZINC000653595112 418092849 /nfs/dbraw/zinc/09/28/49/418092849.db2.gz VTWWPVVDVBTFRU-HZPDHXFCSA-N 1 3 301.475 0.732 20 0 DCADHO CCC[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC)CCN1CCOC ZINC000653595112 418092853 /nfs/dbraw/zinc/09/28/53/418092853.db2.gz VTWWPVVDVBTFRU-HZPDHXFCSA-N 1 3 301.475 0.732 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659446701 418098485 /nfs/dbraw/zinc/09/84/85/418098485.db2.gz RYGZCPLXDGRICT-JTQLQIEISA-N 1 3 310.402 0.170 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000648106822 418099492 /nfs/dbraw/zinc/09/94/92/418099492.db2.gz ZXLFBLMCYIWGLT-JTQLQIEISA-N 1 3 312.377 0.780 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648151663 418107737 /nfs/dbraw/zinc/10/77/37/418107737.db2.gz CGTNCMQYXDTPEL-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCC2)nc1 ZINC000648272265 418121889 /nfs/dbraw/zinc/12/18/89/418121889.db2.gz YZUXXRGFINVRRN-UHFFFAOYSA-N 1 3 319.453 0.857 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659609139 418125440 /nfs/dbraw/zinc/12/54/40/418125440.db2.gz SYLTXPIXJKCMKO-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654362829 418136471 /nfs/dbraw/zinc/13/64/71/418136471.db2.gz CHFXDFVXEYSMHN-JKSUJKDBSA-N 1 3 324.469 0.567 20 0 DCADHO CCn1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000665129534 418178486 /nfs/dbraw/zinc/17/84/86/418178486.db2.gz BMSLWPOBYBRUGX-AWEZNQCLSA-N 1 3 324.473 0.974 20 0 DCADHO CCn1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000665129534 418178487 /nfs/dbraw/zinc/17/84/87/418178487.db2.gz BMSLWPOBYBRUGX-AWEZNQCLSA-N 1 3 324.473 0.974 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000659678254 418143142 /nfs/dbraw/zinc/14/31/42/418143142.db2.gz KCQKZAJCZCLTAF-UONOGXRCSA-N 1 3 320.437 0.347 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654451441 418146947 /nfs/dbraw/zinc/14/69/47/418146947.db2.gz VTGJDSYARPIYTK-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654451441 418146950 /nfs/dbraw/zinc/14/69/50/418146950.db2.gz VTGJDSYARPIYTK-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000654529605 418157198 /nfs/dbraw/zinc/15/71/98/418157198.db2.gz OIBAMFPLCDNTIO-ZIAGYGMSSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000654529605 418157201 /nfs/dbraw/zinc/15/72/01/418157201.db2.gz OIBAMFPLCDNTIO-ZIAGYGMSSA-N 1 3 305.426 0.801 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000659719061 418161449 /nfs/dbraw/zinc/16/14/49/418161449.db2.gz FPQPHOCZZYOEAU-KGLIPLIRSA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CCC1 ZINC000659722137 418162577 /nfs/dbraw/zinc/16/25/77/418162577.db2.gz FJMUHJRQSLEFEK-CYBMUJFWSA-N 1 3 322.453 0.507 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000659728675 418166476 /nfs/dbraw/zinc/16/64/76/418166476.db2.gz NHDNJGUQPVCIPZ-AWEZNQCLSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@@H+]1C ZINC000648864468 418168410 /nfs/dbraw/zinc/16/84/10/418168410.db2.gz LDXPMJILAINDIR-HUUCEWRRSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@H+]1C ZINC000648864468 418168412 /nfs/dbraw/zinc/16/84/12/418168412.db2.gz LDXPMJILAINDIR-HUUCEWRRSA-N 1 3 310.486 0.859 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)C1 ZINC000659738702 418171007 /nfs/dbraw/zinc/17/10/07/418171007.db2.gz INIYZFMABUPFHT-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000659740712 418172304 /nfs/dbraw/zinc/17/23/04/418172304.db2.gz FUPFEOIUITXBEL-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350613 418247014 /nfs/dbraw/zinc/24/70/14/418247014.db2.gz SJIYQDFIQSKQJG-CYBMUJFWSA-N 1 3 318.412 0.375 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000649365983 418248069 /nfs/dbraw/zinc/24/80/69/418248069.db2.gz CWQVALRFNMNNRU-IAGOWNOFSA-N 1 3 322.497 0.862 20 0 DCADHO C[C@H](NC(=O)CN1CCCC[C@@H](N)C1=O)C1CC[NH+](C)CC1 ZINC000649314554 418233413 /nfs/dbraw/zinc/23/34/13/418233413.db2.gz BLZMGPMOMOYCLY-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)CN1CCN(C)CC1 ZINC000655708109 418289531 /nfs/dbraw/zinc/28/95/31/418289531.db2.gz DJZLILRSJCYGMM-WMZOPIPTSA-N 1 3 324.513 0.713 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000660782718 418290172 /nfs/dbraw/zinc/29/01/72/418290172.db2.gz GSIKHXAASDSTAS-STWSTGMMSA-N 1 3 323.481 0.957 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000655975215 418310475 /nfs/dbraw/zinc/31/04/75/418310475.db2.gz UIFBBEYMHLLDNY-KFWWJZLASA-N 1 3 309.458 0.288 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656019200 418317401 /nfs/dbraw/zinc/31/74/01/418317401.db2.gz CDXRCKIGOKYHKU-LSDHHAIUSA-N 1 3 322.453 0.235 20 0 DCADHO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656022396 418318167 /nfs/dbraw/zinc/31/81/67/418318167.db2.gz YGFSOZRVVBLIEU-NEXFUWMNSA-N 1 3 322.453 0.506 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656021597 418318634 /nfs/dbraw/zinc/31/86/34/418318634.db2.gz CDUQYCSRXJJBTQ-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656024614 418319951 /nfs/dbraw/zinc/31/99/51/418319951.db2.gz OCBPYWRFGQKKPQ-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)C1 ZINC000655449311 418263207 /nfs/dbraw/zinc/26/32/07/418263207.db2.gz ANUYOWJSNPTFNL-BQFCYCMXSA-N 1 3 320.481 0.615 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655467865 418265555 /nfs/dbraw/zinc/26/55/55/418265555.db2.gz OAYWPIUHRYNNNE-ZOBUZTSGSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)C[C@H]2N)cn1 ZINC000655481722 418266883 /nfs/dbraw/zinc/26/68/83/418266883.db2.gz NVNIFOYFHADEAH-TTZDDIAXSA-N 1 3 303.410 0.063 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308051 418344118 /nfs/dbraw/zinc/34/41/18/418344118.db2.gz ZXSPMIIBLJBXQB-OKILXGFUSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656353797 418349809 /nfs/dbraw/zinc/34/98/09/418349809.db2.gz CPNXZOUDIPLDAA-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000656431927 418353109 /nfs/dbraw/zinc/35/31/09/418353109.db2.gz KANHWBLPAHECBQ-CYBMUJFWSA-N 1 3 310.442 0.979 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000656431927 418353112 /nfs/dbraw/zinc/35/31/12/418353112.db2.gz KANHWBLPAHECBQ-CYBMUJFWSA-N 1 3 310.442 0.979 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000662305946 418399160 /nfs/dbraw/zinc/39/91/60/418399160.db2.gz LKWMCOJNXZEZLT-QZWWFDLISA-N 1 3 317.433 0.518 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000662305946 418399162 /nfs/dbraw/zinc/39/91/62/418399162.db2.gz LKWMCOJNXZEZLT-QZWWFDLISA-N 1 3 317.433 0.518 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000662305946 418399164 /nfs/dbraw/zinc/39/91/64/418399164.db2.gz LKWMCOJNXZEZLT-QZWWFDLISA-N 1 3 317.433 0.518 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662407089 418407793 /nfs/dbraw/zinc/40/77/93/418407793.db2.gz RMNQALKFHITDJY-JHJVBQTASA-N 1 3 308.430 0.333 20 0 DCADHO [NH3+]CCn1cc(C(=O)N2CCC[C@@H]2CN2CCCCC2)nn1 ZINC000662442212 418410610 /nfs/dbraw/zinc/41/06/10/418410610.db2.gz YDXHZNTXXNLBQS-CYBMUJFWSA-N 1 3 306.414 0.327 20 0 DCADHO COCCN(C)CCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662384667 418405593 /nfs/dbraw/zinc/40/55/93/418405593.db2.gz SMBDAMOWGJRZKL-UHFFFAOYSA-N 1 3 324.425 0.840 20 0 DCADHO CN(C)CCOCCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000471651096 287519533 /nfs/dbraw/zinc/51/95/33/287519533.db2.gz ZTDAOLAYUVMFEX-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000354645370 261249715 /nfs/dbraw/zinc/24/97/15/261249715.db2.gz HMKQNBZNKGJCEX-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354644643 261250224 /nfs/dbraw/zinc/25/02/24/261250224.db2.gz GKSHOJKXPUOCDZ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354644643 261250225 /nfs/dbraw/zinc/25/02/25/261250225.db2.gz GKSHOJKXPUOCDZ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354982402 261293031 /nfs/dbraw/zinc/29/30/31/261293031.db2.gz HCRVBQUSOMQRGS-OAHLLOKOSA-N 1 3 310.486 0.955 20 0 DCADHO COCC[NH+]1CCC(NC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000355418039 261339673 /nfs/dbraw/zinc/33/96/73/261339673.db2.gz LCRAJVHIJSOBNW-AWEZNQCLSA-N 1 3 312.458 0.833 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000358501807 261674558 /nfs/dbraw/zinc/67/45/58/261674558.db2.gz OJJYFLZMGTUEEH-RRFJBIMHSA-N 1 3 312.458 0.831 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362970822 262091132 /nfs/dbraw/zinc/09/11/32/262091132.db2.gz OKLPGEBWQRCHIF-KLHDSHLOSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000362970822 262091133 /nfs/dbraw/zinc/09/11/33/262091133.db2.gz OKLPGEBWQRCHIF-KLHDSHLOSA-N 1 3 322.453 0.776 20 0 DCADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000363389925 262113831 /nfs/dbraw/zinc/11/38/31/262113831.db2.gz OLVCGBYUJPHOLM-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000363389925 262113832 /nfs/dbraw/zinc/11/38/32/262113832.db2.gz OLVCGBYUJPHOLM-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO CCN1CC[C@@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000412875571 262196109 /nfs/dbraw/zinc/19/61/09/262196109.db2.gz JOMGNJSCDBJHAX-CQSZACIVSA-N 1 3 306.410 0.846 20 0 DCADHO CCN1CC[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000413826615 262224457 /nfs/dbraw/zinc/22/44/57/262224457.db2.gz ATYAMVXCDKJHRN-CABCVRRESA-N 1 3 312.458 0.473 20 0 DCADHO CCCN(C(=O)NC1CCN(CCOC)CC1)[C@H]1CC[NH2+]C1 ZINC000417295957 262249321 /nfs/dbraw/zinc/24/93/21/262249321.db2.gz LMJRWMLVRJBVBY-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417434691 262251753 /nfs/dbraw/zinc/25/17/53/262251753.db2.gz ADFUBPXNNRKICY-CQSZACIVSA-N 1 3 300.447 0.771 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417439229 262252042 /nfs/dbraw/zinc/25/20/42/262252042.db2.gz LEJSCWYIWIAAEQ-CABCVRRESA-N 1 3 312.458 0.596 20 0 DCADHO C[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000417587136 262255986 /nfs/dbraw/zinc/25/59/86/262255986.db2.gz NOZHTXQWKKYPHT-GOEBONIOSA-N 1 3 320.437 0.876 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417827606 262263072 /nfs/dbraw/zinc/26/30/72/262263072.db2.gz PSFRLNOGRWCJQQ-UTUOFQBUSA-N 1 3 322.375 0.327 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417987440 262267024 /nfs/dbraw/zinc/26/70/24/262267024.db2.gz HTUTUTYWJSKGBS-CZUORRHYSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000418009547 262267806 /nfs/dbraw/zinc/26/78/06/262267806.db2.gz ILIOHTOTGDPTGK-GDBMZVCRSA-N 1 3 320.437 0.470 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N(C)C1CC([NH3+])C1 ZINC000418186286 262272245 /nfs/dbraw/zinc/27/22/45/262272245.db2.gz CDHNJFJPUXILFI-UHFFFAOYSA-N 1 3 321.425 0.653 20 0 DCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCCN1CCO ZINC000418357414 262275170 /nfs/dbraw/zinc/27/51/70/262275170.db2.gz ZHIVJRMSQRYNEU-LSDHHAIUSA-N 1 3 312.458 0.522 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000418376003 262275914 /nfs/dbraw/zinc/27/59/14/262275914.db2.gz XWWXXUVVULDHHZ-HUUCEWRRSA-N 1 3 312.458 0.521 20 0 DCADHO C[C@H]1CN(C(=O)NCC(C)(C)[NH3+])CCN1C1CCN(C)CC1 ZINC000418429172 262278208 /nfs/dbraw/zinc/27/82/08/262278208.db2.gz NLELPZFWWUKSMK-ZDUSSCGKSA-N 1 3 311.474 0.534 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418479611 262278789 /nfs/dbraw/zinc/27/87/89/262278789.db2.gz AOULXWLFGAHIRQ-AWEZNQCLSA-N 1 3 311.474 0.439 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418828539 262291747 /nfs/dbraw/zinc/29/17/47/262291747.db2.gz FWLUXCWTZOPCDG-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000418863463 262294530 /nfs/dbraw/zinc/29/45/30/262294530.db2.gz IDBDTIHJFWNLRR-WLYUNCDWSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418896327 262296938 /nfs/dbraw/zinc/29/69/38/262296938.db2.gz FQZVEZMPQNTFLK-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000418918427 262297982 /nfs/dbraw/zinc/29/79/82/262297982.db2.gz VQESTRGZRCSYJI-AWEZNQCLSA-N 1 3 312.458 0.467 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418919301 262298301 /nfs/dbraw/zinc/29/83/01/262298301.db2.gz ADFHDVOCFKAMEV-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000418932927 262299733 /nfs/dbraw/zinc/29/97/33/262299733.db2.gz ICGBBVKRNSBFSP-RDBSUJKOSA-N 1 3 312.458 0.419 20 0 DCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N(C)CCN ZINC000419015817 262304981 /nfs/dbraw/zinc/30/49/81/262304981.db2.gz LPDBMWLWPZIZIW-UHFFFAOYSA-N 1 3 320.437 0.562 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419095716 262308975 /nfs/dbraw/zinc/30/89/75/262308975.db2.gz BKJAPQXZFKAEMS-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419103449 262309522 /nfs/dbraw/zinc/30/95/22/262309522.db2.gz GBUKCRTUWAWWGG-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419118783 262309976 /nfs/dbraw/zinc/30/99/76/262309976.db2.gz IVXBBHAYSHJAJX-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)C1 ZINC000419117967 262310021 /nfs/dbraw/zinc/31/00/21/262310021.db2.gz ICPIEFYWNOLGTI-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419161249 262315211 /nfs/dbraw/zinc/31/52/11/262315211.db2.gz RKSDPGBFJBFTND-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419167561 262315672 /nfs/dbraw/zinc/31/56/72/262315672.db2.gz IYKUFICJHQYPKY-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419165412 262315677 /nfs/dbraw/zinc/31/56/77/262315677.db2.gz GIYZXDVEAYXOPU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C[C@H]1[NH3+] ZINC000419229349 262321049 /nfs/dbraw/zinc/32/10/49/262321049.db2.gz OQHBXGUIJOYRLY-VHDGCEQUSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419336686 262326058 /nfs/dbraw/zinc/32/60/58/262326058.db2.gz PXSPCNHDCRITNA-UGFHNGPFSA-N 1 3 322.453 0.219 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000419406767 262330575 /nfs/dbraw/zinc/33/05/75/262330575.db2.gz JDTSZIOIZICSLQ-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419410152 262331254 /nfs/dbraw/zinc/33/12/54/262331254.db2.gz AMLNQRMMJLBGLH-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419425824 262333087 /nfs/dbraw/zinc/33/30/87/262333087.db2.gz PTLJFXMDFPPJBV-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000419486111 262334335 /nfs/dbraw/zinc/33/43/35/262334335.db2.gz XBTFCYDPHZKADB-HNNXBMFYSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N(C)C1CC1 ZINC000419592536 262338855 /nfs/dbraw/zinc/33/88/55/262338855.db2.gz SCTIQWQDSUTEHO-FZMZJTMJSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)[N@H+](C)C1CC1 ZINC000419588465 262339167 /nfs/dbraw/zinc/33/91/67/262339167.db2.gz OGSZMKJCYUZLDN-SWLSCSKDSA-N 1 3 318.421 0.402 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000419588465 262339168 /nfs/dbraw/zinc/33/91/68/262339168.db2.gz OGSZMKJCYUZLDN-SWLSCSKDSA-N 1 3 318.421 0.402 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419648479 262344340 /nfs/dbraw/zinc/34/43/40/262344340.db2.gz SJCXQGSMFBGINP-HNNXBMFYSA-N 1 3 324.469 0.467 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419693071 262345678 /nfs/dbraw/zinc/34/56/78/262345678.db2.gz IAEYSTLLIFYKBF-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419691815 262345972 /nfs/dbraw/zinc/34/59/72/262345972.db2.gz GAZRMKCEIJYKGX-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419697746 262346928 /nfs/dbraw/zinc/34/69/28/262346928.db2.gz RNHAURPKKNCDLO-DZGCQCFKSA-N 1 3 322.453 0.459 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419981085 262355924 /nfs/dbraw/zinc/35/59/24/262355924.db2.gz RQKRRECAQLXRLG-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420058603 262358123 /nfs/dbraw/zinc/35/81/23/262358123.db2.gz JZIRTIPDEQTUKA-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000420131839 262362020 /nfs/dbraw/zinc/36/20/20/262362020.db2.gz XONCFFSWBDIPHQ-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000420138483 262362637 /nfs/dbraw/zinc/36/26/37/262362637.db2.gz FKZOMXLRCCVFNS-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420157685 262364724 /nfs/dbraw/zinc/36/47/24/262364724.db2.gz GNVQPHOXDIRRNL-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NS(=O)(=O)[C@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420369239 262371637 /nfs/dbraw/zinc/37/16/37/262371637.db2.gz IOXINEFVYZXLGC-KGLIPLIRSA-N 1 3 303.472 0.778 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)CC1 ZINC000420404818 262373632 /nfs/dbraw/zinc/37/36/32/262373632.db2.gz OTAURKGRERVOKZ-HNNXBMFYSA-N 1 3 316.449 0.977 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422115594 262396578 /nfs/dbraw/zinc/39/65/78/262396578.db2.gz JWSIWLXIDSAHHV-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422115594 262396579 /nfs/dbraw/zinc/39/65/79/262396579.db2.gz JWSIWLXIDSAHHV-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422118316 262396727 /nfs/dbraw/zinc/39/67/27/262396727.db2.gz MTVRSRDTBWTISS-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)CC3(C[NH3+])CCCCC3)C[C@H]2N)cn1 ZINC000424223169 262485311 /nfs/dbraw/zinc/48/53/11/262485311.db2.gz GZKXLIIPQBJYCI-LSDHHAIUSA-N 1 3 319.453 0.973 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(CC)CC ZINC000428982273 262597469 /nfs/dbraw/zinc/59/74/69/262597469.db2.gz ZNWOYJCGKGKMNC-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCOC1 ZINC001649887262 1173283867 /nfs/dbraw/zinc/28/38/67/1173283867.db2.gz SYUSGYJHLIHNEW-KBPBESRZSA-N 1 3 300.447 0.594 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCOC1 ZINC001649887262 1173283872 /nfs/dbraw/zinc/28/38/72/1173283872.db2.gz SYUSGYJHLIHNEW-KBPBESRZSA-N 1 3 300.447 0.594 20 0 DCADHO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC1CCN(C2CC2)CC1 ZINC000357105276 271043332 /nfs/dbraw/zinc/04/33/32/271043332.db2.gz NSFSALOPWZLMDL-ZIAGYGMSSA-N 1 3 306.454 0.271 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C)C(C)(C)C[NH+](C)C ZINC000358797799 271074850 /nfs/dbraw/zinc/07/48/50/271074850.db2.gz ARUSSZIGSDWCSU-LBPRGKRZSA-N 1 3 300.447 0.099 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000418727085 271251842 /nfs/dbraw/zinc/25/18/42/271251842.db2.gz PXXZANIAMWEXJJ-ZNMIVQPWSA-N 1 3 312.458 0.650 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000418951626 271263109 /nfs/dbraw/zinc/26/31/09/271263109.db2.gz UQYYTLLJQVRHTC-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419026408 271265628 /nfs/dbraw/zinc/26/56/28/271265628.db2.gz NNSVWYNGGZFFOJ-BARDWOONSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419029188 271267465 /nfs/dbraw/zinc/26/74/65/271267465.db2.gz RDXJMIPHUAEIJR-MELADBBJSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419029184 271267685 /nfs/dbraw/zinc/26/76/85/271267685.db2.gz RDXJMIPHUAEIJR-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419043986 271269008 /nfs/dbraw/zinc/26/90/08/271269008.db2.gz KTMGWEDCQMPMBB-OCCSQVGLSA-N 1 3 324.469 0.467 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419278944 271282104 /nfs/dbraw/zinc/28/21/04/271282104.db2.gz BSASYFVKQCSLAW-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419653830 271316420 /nfs/dbraw/zinc/31/64/20/271316420.db2.gz RLJGNPOPOGKZGN-CHWSQXEVSA-N 1 3 320.437 0.695 20 0 DCADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N(C)CC[NH3+])c1ccccc1 ZINC000419658800 271316828 /nfs/dbraw/zinc/31/68/28/271316828.db2.gz YZOQFCXNKIETTI-ZDUSSCGKSA-N 1 3 320.437 0.649 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419703844 271322635 /nfs/dbraw/zinc/32/26/35/271322635.db2.gz WWFJLZDHRGXTOT-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO NCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419824633 271329738 /nfs/dbraw/zinc/32/97/38/271329738.db2.gz QNSCRJDRAGVNTO-UHFFFAOYSA-N 1 3 310.442 0.366 20 0 DCADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)NCC[NH3+] ZINC000419832851 271331930 /nfs/dbraw/zinc/33/19/30/271331930.db2.gz KGAQVXGXGYZDQI-UHFFFAOYSA-N 1 3 320.437 0.432 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419902661 271341904 /nfs/dbraw/zinc/34/19/04/271341904.db2.gz FYWQZEVEFBTGMQ-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420014924 271350985 /nfs/dbraw/zinc/35/09/85/271350985.db2.gz LFGMIWMHVNFTCM-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420043723 271355121 /nfs/dbraw/zinc/35/51/21/271355121.db2.gz PQIKXFKFABPITK-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000422826128 271386087 /nfs/dbraw/zinc/38/60/87/271386087.db2.gz KYKNUXHBVNRFKL-CVEARBPZSA-N 1 3 318.469 0.576 20 0 DCADHO CCCS(=O)(=O)N1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422858483 271389180 /nfs/dbraw/zinc/38/91/80/271389180.db2.gz ITZIYLJWMJBANO-TZMCWYRMSA-N 1 3 303.472 0.778 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000459909592 272018825 /nfs/dbraw/zinc/01/88/25/272018825.db2.gz BDGITBMGGRPNKX-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000459928752 272020604 /nfs/dbraw/zinc/02/06/04/272020604.db2.gz YSSVJKKKJFXZNJ-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)/C=C\C[NH+](C)C ZINC000492945119 272160298 /nfs/dbraw/zinc/16/02/98/272160298.db2.gz BUIPUWNVEXDXLD-WAYWQWQTSA-N 1 3 306.410 0.756 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494739410 272229929 /nfs/dbraw/zinc/22/99/29/272229929.db2.gz XCXIGARHYSUIID-DZGCQCFKSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494739410 272229931 /nfs/dbraw/zinc/22/99/31/272229931.db2.gz XCXIGARHYSUIID-DZGCQCFKSA-N 1 3 320.437 0.836 20 0 DCADHO CN1C[C@@H](CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)OC1=O ZINC000497041248 272365470 /nfs/dbraw/zinc/36/54/70/272365470.db2.gz ZRFGCIRBHUMYRP-HNNXBMFYSA-N 1 3 324.469 0.787 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000515145830 287648171 /nfs/dbraw/zinc/64/81/71/287648171.db2.gz DPQYLIOFEDWTRW-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263115936 276019978 /nfs/dbraw/zinc/01/99/78/276019978.db2.gz FTMWNYXNFPGQGG-HIFRSBDPSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000261906588 276020300 /nfs/dbraw/zinc/02/03/00/276020300.db2.gz PNNAOZKORGGPME-HOCLYGCPSA-N 1 3 320.437 0.505 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000546591069 288019715 /nfs/dbraw/zinc/01/97/15/288019715.db2.gz UKZUTUWYFFOBHC-GDBMZVCRSA-N 1 3 312.458 0.617 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000546591069 288019718 /nfs/dbraw/zinc/01/97/18/288019718.db2.gz UKZUTUWYFFOBHC-GDBMZVCRSA-N 1 3 312.458 0.617 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000419115583 278867731 /nfs/dbraw/zinc/86/77/31/278867731.db2.gz JYXNOXIZZCFQMQ-CQSZACIVSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000353509578 280069740 /nfs/dbraw/zinc/06/97/40/280069740.db2.gz HSQZYYAOSHFLGH-PMPSAXMXSA-N 1 3 310.486 0.620 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2n1CCCC2 ZINC000551526148 288229411 /nfs/dbraw/zinc/22/94/11/288229411.db2.gz DYCWTDDNNWRKEP-UHFFFAOYSA-N 1 3 307.442 0.785 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000177463724 289159993 /nfs/dbraw/zinc/15/99/93/289159993.db2.gz XJMSIKVRRIGUHU-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@@]1(CNC(=O)NC[C@H](N)c2ccccc2)CCC[NH2+]1 ZINC000418450213 292971593 /nfs/dbraw/zinc/97/15/93/292971593.db2.gz LFNDDKJLAHFGSC-HOCLYGCPSA-N 1 3 306.410 0.754 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000415140490 303366298 /nfs/dbraw/zinc/36/62/98/303366298.db2.gz UBVDIRJSKDMMPG-DZGCQCFKSA-N 1 3 302.422 0.574 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000570784745 332815446 /nfs/dbraw/zinc/81/54/46/332815446.db2.gz QOKHJISTJSXAPE-MRXNPFEDSA-N 1 3 320.437 0.926 20 0 DCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000582119469 333294744 /nfs/dbraw/zinc/29/47/44/333294744.db2.gz VYPCXQGHKHVECJ-GZBFAFLISA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000582231236 336285111 /nfs/dbraw/zinc/28/51/11/336285111.db2.gz VGGNPPKEWQEGAH-GJZGRUSLSA-N 1 3 312.458 0.642 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000582231236 336285112 /nfs/dbraw/zinc/28/51/12/336285112.db2.gz VGGNPPKEWQEGAH-GJZGRUSLSA-N 1 3 312.458 0.642 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@@H]2COC[C@H]2OC)CC[NH2+]CC1 ZINC000582726892 337126009 /nfs/dbraw/zinc/12/60/09/337126009.db2.gz ONBJNKGZMDLHQH-JHJVBQTASA-N 1 3 300.399 0.311 20 0 DCADHO CN1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C[NH3+])C1 ZINC000582910525 337216512 /nfs/dbraw/zinc/21/65/12/337216512.db2.gz LLJIRQPGGSMWDL-HNNXBMFYSA-N 1 3 324.469 0.123 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000583087208 337233838 /nfs/dbraw/zinc/23/38/38/337233838.db2.gz MPEMUIIESXIDEC-ZDUSSCGKSA-N 1 3 305.426 0.900 20 0 DCADHO CC[C@H](C)N(C)CC[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000584585732 337369267 /nfs/dbraw/zinc/36/92/67/337369267.db2.gz UGYUIMAKAAJGSS-VGWMRTNUSA-N 1 3 301.475 0.776 20 0 DCADHO CO[C@@H](CN)C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000576042007 341822127 /nfs/dbraw/zinc/82/21/27/341822127.db2.gz YSNQYJVVZCWNLS-CABCVRRESA-N 1 3 306.410 0.526 20 0 DCADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)NC3CNC3)CC2)CC1 ZINC000577355826 341905636 /nfs/dbraw/zinc/90/56/36/341905636.db2.gz BLLQCYPTSNXYPX-UHFFFAOYSA-N 1 3 322.453 0.234 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCCNCC2)CC1=O ZINC000247323755 521653827 /nfs/dbraw/zinc/65/38/27/521653827.db2.gz SVYREURKAQYYJC-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCCNCC2)CC1=O ZINC000247323755 521653829 /nfs/dbraw/zinc/65/38/29/521653829.db2.gz SVYREURKAQYYJC-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)Nc2ccc(C[NH3+])cc2)CC1=O ZINC000131436436 521774176 /nfs/dbraw/zinc/77/41/76/521774176.db2.gz NVEMKRNIAXVPSR-CYBMUJFWSA-N 1 3 304.394 0.494 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[N@H+](C)C1CC1 ZINC000364175707 524417255 /nfs/dbraw/zinc/41/72/55/524417255.db2.gz VXYMUTSWIDQVFV-BPLDGKMQSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[N@@H+](C)C1CC1 ZINC000364175707 524417267 /nfs/dbraw/zinc/41/72/67/524417267.db2.gz VXYMUTSWIDQVFV-BPLDGKMQSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)CN1CCN(C)CC1 ZINC000364224066 524655724 /nfs/dbraw/zinc/65/57/24/524655724.db2.gz YOUNYMHPTVFYDU-JKSUJKDBSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@H](C(=O)NCCCN1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000237433398 526047330 /nfs/dbraw/zinc/04/73/30/526047330.db2.gz PUYUBWWHLJCPSX-GOEBONIOSA-N 1 3 304.438 0.734 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410810251 528432271 /nfs/dbraw/zinc/43/22/71/528432271.db2.gz OPLRTBRNPWFGGK-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000237885630 545957885 /nfs/dbraw/zinc/95/78/85/545957885.db2.gz USMVEIGDLVMYSN-UONOGXRCSA-N 1 3 322.453 0.365 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000332917238 546065918 /nfs/dbraw/zinc/06/59/18/546065918.db2.gz YVFJYKRZKQJJLN-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000332917238 546065923 /nfs/dbraw/zinc/06/59/23/546065923.db2.gz YVFJYKRZKQJJLN-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H](C)CN1 ZINC000333132213 546072334 /nfs/dbraw/zinc/07/23/34/546072334.db2.gz BWNDDFYASTUGTE-OCVGTWLNSA-N 1 3 324.469 0.756 20 0 DCADHO CN1CCC[C@@]2(CCN(C(=O)NCCN3CC[NH2+]CC3)C2)C1 ZINC000333798598 546092654 /nfs/dbraw/zinc/09/26/54/546092654.db2.gz HJYWYIIJEROOSI-MRXNPFEDSA-N 1 3 309.458 0.019 20 0 DCADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655296360 546361131 /nfs/dbraw/zinc/36/11/31/546361131.db2.gz MIZFAPUJIJHEMB-BHYGNILZSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655296360 546361132 /nfs/dbraw/zinc/36/11/32/546361132.db2.gz MIZFAPUJIJHEMB-BHYGNILZSA-N 1 3 321.465 0.918 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCC1 ZINC000665758697 546393815 /nfs/dbraw/zinc/39/38/15/546393815.db2.gz MLJWNAYFBIVQPV-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCC1 ZINC000665758697 546393818 /nfs/dbraw/zinc/39/38/18/546393818.db2.gz MLJWNAYFBIVQPV-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)C[C@@H]1C ZINC000665761708 546394977 /nfs/dbraw/zinc/39/49/77/546394977.db2.gz NROYEPSXNKTTQA-IHRRRGAJSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)C[C@@H]1C ZINC000665761708 546394980 /nfs/dbraw/zinc/39/49/80/546394980.db2.gz NROYEPSXNKTTQA-IHRRRGAJSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000665762788 546396891 /nfs/dbraw/zinc/39/68/91/546396891.db2.gz PVKUHWKBJBFFFH-QLFBSQMISA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000665762788 546396896 /nfs/dbraw/zinc/39/68/96/546396896.db2.gz PVKUHWKBJBFFFH-QLFBSQMISA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](O)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763610 546397263 /nfs/dbraw/zinc/39/72/63/546397263.db2.gz GXXXRBMBYTUQBC-RRFJBIMHSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](O)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763610 546397267 /nfs/dbraw/zinc/39/72/67/546397267.db2.gz GXXXRBMBYTUQBC-RRFJBIMHSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000666753148 546503236 /nfs/dbraw/zinc/50/32/36/546503236.db2.gz PJCSPRFNEDNVNN-HRCADAONSA-N 1 3 324.469 0.567 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000666922138 546528465 /nfs/dbraw/zinc/52/84/65/546528465.db2.gz KWIMCOPYINNPSS-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000666922138 546528469 /nfs/dbraw/zinc/52/84/69/546528469.db2.gz KWIMCOPYINNPSS-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000666922810 546529351 /nfs/dbraw/zinc/52/93/51/546529351.db2.gz XXBYGSPYLOYWIQ-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000666922810 546529355 /nfs/dbraw/zinc/52/93/55/546529355.db2.gz XXBYGSPYLOYWIQ-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666976465 546538396 /nfs/dbraw/zinc/53/83/96/546538396.db2.gz JCOTXAPXFZHASF-INIZCTEOSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666976465 546538400 /nfs/dbraw/zinc/53/84/00/546538400.db2.gz JCOTXAPXFZHASF-INIZCTEOSA-N 1 3 324.469 0.975 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)C1 ZINC000668777685 546844067 /nfs/dbraw/zinc/84/40/67/546844067.db2.gz UQRAKVSQNLLPFI-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000668777685 546844069 /nfs/dbraw/zinc/84/40/69/546844069.db2.gz UQRAKVSQNLLPFI-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)C1 ZINC000668777686 546844460 /nfs/dbraw/zinc/84/44/60/546844460.db2.gz UQRAKVSQNLLPFI-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000668777686 546844463 /nfs/dbraw/zinc/84/44/63/546844463.db2.gz UQRAKVSQNLLPFI-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000669310732 546954350 /nfs/dbraw/zinc/95/43/50/546954350.db2.gz GFKRFARLUCLMPK-GJZGRUSLSA-N 1 3 324.469 0.738 20 0 DCADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000670783199 547129568 /nfs/dbraw/zinc/12/95/68/547129568.db2.gz VOAFRHGLFWMLGS-HNNXBMFYSA-N 1 3 320.437 0.036 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672594252 547384398 /nfs/dbraw/zinc/38/43/98/547384398.db2.gz SODFMKGOXBXWMD-BHPKHCPMSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000672594252 547384401 /nfs/dbraw/zinc/38/44/01/547384401.db2.gz SODFMKGOXBXWMD-BHPKHCPMSA-N 1 3 322.453 0.184 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000673670698 547513490 /nfs/dbraw/zinc/51/34/90/547513490.db2.gz NJGWXCQWIMGZSK-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO Cc1nccn1CCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678082114 547945043 /nfs/dbraw/zinc/94/50/43/547945043.db2.gz JJXJEEJZHLXIDC-HNNXBMFYSA-N 1 3 305.426 0.606 20 0 DCADHO Cc1nccn1CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678082114 547945045 /nfs/dbraw/zinc/94/50/45/547945045.db2.gz JJXJEEJZHLXIDC-HNNXBMFYSA-N 1 3 305.426 0.606 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678581626 547992329 /nfs/dbraw/zinc/99/23/29/547992329.db2.gz ZGFXMVQKELEJTM-UONOGXRCSA-N 1 3 301.456 0.628 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678581626 547992335 /nfs/dbraw/zinc/99/23/35/547992335.db2.gz ZGFXMVQKELEJTM-UONOGXRCSA-N 1 3 301.456 0.628 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000680498971 548149433 /nfs/dbraw/zinc/14/94/33/548149433.db2.gz DKUBIVJSFDCXLZ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO COCCOCCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001671692890 1175030561 /nfs/dbraw/zinc/03/05/61/1175030561.db2.gz FYNXQNHXPGAFPZ-ZBFHGGJFSA-N 1 3 313.442 0.182 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3CN(CC(N)=O)C[C@@H]3C2)CC1 ZINC000980178203 660884144 /nfs/dbraw/zinc/88/41/44/660884144.db2.gz ONSOLKUHJIHKRX-SOUVJXGZSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCCC1 ZINC000980800327 661013277 /nfs/dbraw/zinc/01/32/77/661013277.db2.gz PJMNOLISABDKKA-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCN(CCCO)CC1 ZINC000981152285 661088697 /nfs/dbraw/zinc/08/86/97/661088697.db2.gz GGPGWYQIMIEYJQ-CVEARBPZSA-N 1 3 309.454 0.778 20 0 DCADHO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCN(CCCO)CC1 ZINC000981152285 661088700 /nfs/dbraw/zinc/08/87/00/661088700.db2.gz GGPGWYQIMIEYJQ-CVEARBPZSA-N 1 3 309.454 0.778 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028036742 661092055 /nfs/dbraw/zinc/09/20/55/661092055.db2.gz GGPUGCGPWIQHIE-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028036742 661092057 /nfs/dbraw/zinc/09/20/57/661092057.db2.gz GGPUGCGPWIQHIE-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1)C(N)=O ZINC000970383547 657461998 /nfs/dbraw/zinc/46/19/98/657461998.db2.gz VXNHPEGPZOQBIK-HUUCEWRRSA-N 1 3 324.469 0.561 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891536003 657462878 /nfs/dbraw/zinc/46/28/78/657462878.db2.gz AAKUTXHBWQBWSL-KKUMJFAQSA-N 1 3 312.458 0.914 20 0 DCADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084479 657485544 /nfs/dbraw/zinc/48/55/44/657485544.db2.gz PWMHEACJOKRJDZ-MCIONIFRSA-N 1 3 306.410 0.980 20 0 DCADHO Cc1noc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084479 657485548 /nfs/dbraw/zinc/48/55/48/657485548.db2.gz PWMHEACJOKRJDZ-MCIONIFRSA-N 1 3 306.410 0.980 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001023130419 657540690 /nfs/dbraw/zinc/54/06/90/657540690.db2.gz NCWLFWLJKSLKBR-AEGPPILISA-N 1 3 305.422 0.979 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924486534 657676343 /nfs/dbraw/zinc/67/63/43/657676343.db2.gz QUCVFQDPLNAKJD-HIFRSBDPSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924486534 657676349 /nfs/dbraw/zinc/67/63/49/657676349.db2.gz QUCVFQDPLNAKJD-HIFRSBDPSA-N 1 3 320.437 0.877 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)C1 ZINC001021380740 657704439 /nfs/dbraw/zinc/70/44/39/657704439.db2.gz SFBXCSCNNLFSCV-WZYMTQMTSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)C1 ZINC001021380740 657704442 /nfs/dbraw/zinc/70/44/42/657704442.db2.gz SFBXCSCNNLFSCV-WZYMTQMTSA-N 1 3 309.454 0.822 20 0 DCADHO Cn1nccc1CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970718475 657827374 /nfs/dbraw/zinc/82/73/74/657827374.db2.gz VYTGLTLVILEIFI-CQSZACIVSA-N 1 3 305.426 0.249 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000970719926 657828469 /nfs/dbraw/zinc/82/84/69/657828469.db2.gz NKNINRQLJUGBRD-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968662 658103055 /nfs/dbraw/zinc/10/30/55/658103055.db2.gz GNWLAEZMPJVQKO-GYMHETDLSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968662 658103061 /nfs/dbraw/zinc/10/30/61/658103061.db2.gz GNWLAEZMPJVQKO-GYMHETDLSA-N 1 3 307.438 0.791 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722848 658106972 /nfs/dbraw/zinc/10/69/72/658106972.db2.gz RGPPEZNIIQUMAH-IGQOVBAYSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722848 658106976 /nfs/dbraw/zinc/10/69/76/658106976.db2.gz RGPPEZNIIQUMAH-IGQOVBAYSA-N 1 3 310.442 0.171 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020592484 658172044 /nfs/dbraw/zinc/17/20/44/658172044.db2.gz GOYUHYQXCCBOOE-XYJRDEOASA-N 1 3 323.466 0.781 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020592484 658172049 /nfs/dbraw/zinc/17/20/49/658172049.db2.gz GOYUHYQXCCBOOE-XYJRDEOASA-N 1 3 323.466 0.781 20 0 DCADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000998994078 665559625 /nfs/dbraw/zinc/55/96/25/665559625.db2.gz KRCVTSCYEOFFRF-SSDMNJCBSA-N 1 3 320.441 0.378 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CCN1c1cc[nH+]cc1 ZINC000892184023 658279511 /nfs/dbraw/zinc/27/95/11/658279511.db2.gz NSJBUZMAFADZST-HIFRSBDPSA-N 1 3 319.409 0.290 20 0 DCADHO COCCN1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969943243 658280642 /nfs/dbraw/zinc/28/06/42/658280642.db2.gz CTMPOZHRZMHENH-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000969949799 658285128 /nfs/dbraw/zinc/28/51/28/658285128.db2.gz XVJMPGAYQIVKLI-GOEBONIOSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@@H]1CNCCO1 ZINC000892187816 658288616 /nfs/dbraw/zinc/28/86/16/658288616.db2.gz CYOCAIOEBZSAKO-ZFWWWQNUSA-N 1 3 319.409 0.290 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001023889882 658296683 /nfs/dbraw/zinc/29/66/83/658296683.db2.gz TYDHCCYTSPBDQA-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC000969964067 658302332 /nfs/dbraw/zinc/30/23/32/658302332.db2.gz BGYXCRCWZJNQFG-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC001022716774 658374074 /nfs/dbraw/zinc/37/40/74/658374074.db2.gz HZISPGCDYOSNJN-ZIEJDFEHSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001022716774 658374085 /nfs/dbraw/zinc/37/40/85/658374085.db2.gz HZISPGCDYOSNJN-ZIEJDFEHSA-N 1 3 317.437 0.720 20 0 DCADHO CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970170846 658688051 /nfs/dbraw/zinc/68/80/51/658688051.db2.gz UKPWYKGWLKWEHI-XOSUWLCWSA-N 1 3 307.438 0.696 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000970178732 658702185 /nfs/dbraw/zinc/70/21/85/658702185.db2.gz ZVQLLIPBDJNTCY-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021044823 658720730 /nfs/dbraw/zinc/72/07/30/658720730.db2.gz VHHUUIUTNTYNIX-IHRRRGAJSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021044823 658720735 /nfs/dbraw/zinc/72/07/35/658720735.db2.gz VHHUUIUTNTYNIX-IHRRRGAJSA-N 1 3 303.410 0.474 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001021090162 658751027 /nfs/dbraw/zinc/75/10/27/658751027.db2.gz FOFYCKCCEGHKMA-LDKKBFSKSA-N 1 3 319.453 0.993 20 0 DCADHO C[N@H+](CC1CCOCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427442 658752879 /nfs/dbraw/zinc/75/28/79/658752879.db2.gz WXZIWRQXFLPBJR-HNNXBMFYSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](CC1CCOCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427442 658752888 /nfs/dbraw/zinc/75/28/88/658752888.db2.gz WXZIWRQXFLPBJR-HNNXBMFYSA-N 1 3 306.410 0.912 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926172162 658888611 /nfs/dbraw/zinc/88/86/11/658888611.db2.gz YKWFLCDCSDQCPH-WVCIDPQESA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926172162 658888616 /nfs/dbraw/zinc/88/86/16/658888616.db2.gz YKWFLCDCSDQCPH-WVCIDPQESA-N 1 3 311.470 0.923 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892330740 658901854 /nfs/dbraw/zinc/90/18/54/658901854.db2.gz MFUYBZZURCNLSZ-RBSFLKMASA-N 1 3 310.442 0.321 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892330740 658901858 /nfs/dbraw/zinc/90/18/58/658901858.db2.gz MFUYBZZURCNLSZ-RBSFLKMASA-N 1 3 310.442 0.321 20 0 DCADHO COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000892333275 658932822 /nfs/dbraw/zinc/93/28/22/658932822.db2.gz ANASFJGGBRXSNI-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1)C1CCC1 ZINC000999363899 665636987 /nfs/dbraw/zinc/63/69/87/665636987.db2.gz KUXPNGGZCOQMKU-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC000999366384 665637290 /nfs/dbraw/zinc/63/72/90/665637290.db2.gz XNPASIVWARAPJA-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000999398905 665639158 /nfs/dbraw/zinc/63/91/58/665639158.db2.gz AZDYXNABMJRPLD-NFOMZHRRSA-N 1 3 320.441 0.341 20 0 DCADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001027216442 659088893 /nfs/dbraw/zinc/08/88/93/659088893.db2.gz UFMJOWFUXVQKMG-OLZOCXBDSA-N 1 3 322.409 0.573 20 0 DCADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027216442 659088899 /nfs/dbraw/zinc/08/88/99/659088899.db2.gz UFMJOWFUXVQKMG-OLZOCXBDSA-N 1 3 322.409 0.573 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999406865 665641944 /nfs/dbraw/zinc/64/19/44/665641944.db2.gz SYYANOHPCYLTCJ-IUDNXUCKSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCn3cncn3)C2)C1 ZINC000999409183 665642243 /nfs/dbraw/zinc/64/22/43/665642243.db2.gz PCLSCQCGCDWBGJ-NFOMZHRRSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000999407508 665642315 /nfs/dbraw/zinc/64/23/15/665642315.db2.gz VVQMHJVMVOKTMT-WLYUNCDWSA-N 1 3 322.453 0.282 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)C1 ZINC001026361770 659239615 /nfs/dbraw/zinc/23/96/15/659239615.db2.gz SYLGWVWRZKNYTP-MJBXVCDLSA-N 1 3 322.453 0.030 20 0 DCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000892688274 659285857 /nfs/dbraw/zinc/28/58/57/659285857.db2.gz VDQQYQLYCDZJTD-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000892819984 659469766 /nfs/dbraw/zinc/46/97/66/659469766.db2.gz UMNDXOHWZWRIFU-XQLPTFJDSA-N 1 3 308.426 0.195 20 0 DCADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000892819984 659469768 /nfs/dbraw/zinc/46/97/68/659469768.db2.gz UMNDXOHWZWRIFU-XQLPTFJDSA-N 1 3 308.426 0.195 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)[N@H+](C)C1CC1 ZINC000892822106 659472235 /nfs/dbraw/zinc/47/22/35/659472235.db2.gz WDDAWVPQVMMOMT-KBMXLJTQSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)[N@@H+](C)C1CC1 ZINC000892822106 659472236 /nfs/dbraw/zinc/47/22/36/659472236.db2.gz WDDAWVPQVMMOMT-KBMXLJTQSA-N 1 3 324.469 0.710 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)ncn1 ZINC001026734842 659492700 /nfs/dbraw/zinc/49/27/00/659492700.db2.gz UTYZVJMQPUWTMB-HOCLYGCPSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001026734831 659492738 /nfs/dbraw/zinc/49/27/38/659492738.db2.gz UQNMKKCQRSAYAE-GOEBONIOSA-N 1 3 317.437 0.817 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000892943623 659540583 /nfs/dbraw/zinc/54/05/83/659540583.db2.gz IZFYLTMMTRRGCB-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000892943623 659540586 /nfs/dbraw/zinc/54/05/86/659540586.db2.gz IZFYLTMMTRRGCB-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799032 659565095 /nfs/dbraw/zinc/56/50/95/659565095.db2.gz QAFNAWSAEUJBDF-NRKLIOEPSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799032 659565099 /nfs/dbraw/zinc/56/50/99/659565099.db2.gz QAFNAWSAEUJBDF-NRKLIOEPSA-N 1 3 319.449 0.696 20 0 DCADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025798858 659565775 /nfs/dbraw/zinc/56/57/75/659565775.db2.gz LQAAAKKJBKWGFI-LJIZCISZSA-N 1 3 307.438 0.696 20 0 DCADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025798858 659565778 /nfs/dbraw/zinc/56/57/78/659565778.db2.gz LQAAAKKJBKWGFI-LJIZCISZSA-N 1 3 307.438 0.696 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1)C1CCC1 ZINC001026890322 659624888 /nfs/dbraw/zinc/62/48/88/659624888.db2.gz IQZDIZVPIXOKPX-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1)C1CC1 ZINC001026886950 659626979 /nfs/dbraw/zinc/62/69/79/659626979.db2.gz IKGKMZWMOOHUQD-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001027042706 659728371 /nfs/dbraw/zinc/72/83/71/659728371.db2.gz LVYVFFZHCKYGPR-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO COC[C@@H](C)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977497891 659740084 /nfs/dbraw/zinc/74/00/84/659740084.db2.gz LNGQCMAHRIXNPR-ZIAGYGMSSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1)[NH+](C)C ZINC000999866103 665703358 /nfs/dbraw/zinc/70/33/58/665703358.db2.gz WYCWJGFQPFIHJR-CZUORRHYSA-N 1 3 324.469 0.241 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+]CCO)C1 ZINC000999870688 665704982 /nfs/dbraw/zinc/70/49/82/665704982.db2.gz PDABEDNJNLICSW-UHFFFAOYSA-N 1 3 305.422 0.933 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001000079741 665736173 /nfs/dbraw/zinc/73/61/73/665736173.db2.gz BAGMBVSGMQBJKU-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)O)C[C@]2(C)C1)N(C)C ZINC000982306617 661349410 /nfs/dbraw/zinc/34/94/10/661349410.db2.gz VOLHWUDFZVWWLN-HDEZJCGLSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)O)C[C@]2(C)C1)N(C)C ZINC000982306617 661349411 /nfs/dbraw/zinc/34/94/11/661349411.db2.gz VOLHWUDFZVWWLN-HDEZJCGLSA-N 1 3 311.470 0.878 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001000204037 665778654 /nfs/dbraw/zinc/77/86/54/665778654.db2.gz YMFWJVAZYSCSEC-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940626164 665816216 /nfs/dbraw/zinc/81/62/16/665816216.db2.gz ZWDUSLJUSHOTCR-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940626164 665816219 /nfs/dbraw/zinc/81/62/19/665816219.db2.gz ZWDUSLJUSHOTCR-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)S(=O)(=O)N1CCCN(CC2CC[NH+](C)CC2)CC1 ZINC000894552496 661981903 /nfs/dbraw/zinc/98/19/03/661981903.db2.gz IJWVFBHOZNQQKM-UHFFFAOYSA-N 1 3 318.487 0.142 20 0 DCADHO C[C@H]([NH2+][C@H]1CCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029149982 662022540 /nfs/dbraw/zinc/02/25/40/662022540.db2.gz GQKIQCDYAXYSRK-FZMZJTMJSA-N 1 3 319.409 0.057 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)C2CCC([NH3+])CC2)CC1=O ZINC000237161480 662046806 /nfs/dbraw/zinc/04/68/06/662046806.db2.gz LOEJMHGTKZIMDM-IYXRBSQSSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000390031 665834006 /nfs/dbraw/zinc/83/40/06/665834006.db2.gz PNXWGKKDIDSCMA-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO COC(=O)[C@@H]1[C@@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)C1(F)F ZINC000895332906 662170230 /nfs/dbraw/zinc/17/02/30/662170230.db2.gz QYWHAKFBCZCECU-XQQFMLRXSA-N 1 3 318.364 0.884 20 0 DCADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cn(C)c(=O)n(C)c1=O ZINC000895376798 662177840 /nfs/dbraw/zinc/17/78/40/662177840.db2.gz JSYVXKVQKAAMKI-UKRRQHHQSA-N 1 3 322.453 0.636 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000984801113 662317034 /nfs/dbraw/zinc/31/70/34/662317034.db2.gz ZDNOLDGQFUISNW-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000985118938 662369772 /nfs/dbraw/zinc/36/97/72/662369772.db2.gz FSWGSEVAZFBSAP-YDHLFZDLSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985118938 662369773 /nfs/dbraw/zinc/36/97/73/662369773.db2.gz FSWGSEVAZFBSAP-YDHLFZDLSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985439753 662446845 /nfs/dbraw/zinc/44/68/45/662446845.db2.gz YUMVOIKGHVNILW-YRGRVCCFSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000985439753 662446846 /nfs/dbraw/zinc/44/68/46/662446846.db2.gz YUMVOIKGHVNILW-YRGRVCCFSA-N 1 3 310.442 0.123 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1)N(C)C ZINC000985655353 662496894 /nfs/dbraw/zinc/49/68/94/662496894.db2.gz JGPZPJHEIWCKNQ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1)N(C)C ZINC000985655353 662496895 /nfs/dbraw/zinc/49/68/95/662496895.db2.gz JGPZPJHEIWCKNQ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cn1 ZINC000987519334 662683214 /nfs/dbraw/zinc/68/32/14/662683214.db2.gz AFVIZMUJMUWADI-XJKSGUPXSA-N 1 3 317.437 0.960 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000897472198 662769193 /nfs/dbraw/zinc/76/91/93/662769193.db2.gz QFTASMFSOUPICF-BZUAXINKSA-N 1 3 324.469 0.569 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000897472198 662769196 /nfs/dbraw/zinc/76/91/96/662769196.db2.gz QFTASMFSOUPICF-BZUAXINKSA-N 1 3 324.469 0.569 20 0 DCADHO C[C@@H]1C[C@H](NCc2ccnn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391408 662909669 /nfs/dbraw/zinc/90/96/69/662909669.db2.gz RYFYKPKHLGAMDJ-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000929800 665965467 /nfs/dbraw/zinc/96/54/67/665965467.db2.gz SLLFMKVFIYIXOG-OLZOCXBDSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000929800 665965469 /nfs/dbraw/zinc/96/54/69/665965469.db2.gz SLLFMKVFIYIXOG-OLZOCXBDSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CN3CCCC3)C2)cn1 ZINC001000931898 665965719 /nfs/dbraw/zinc/96/57/19/665965719.db2.gz DDWCSJXYFQLQLD-INIZCTEOSA-N 1 3 317.437 0.961 20 0 DCADHO O=C([C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1)N1CCOCC1 ZINC000903723206 663475348 /nfs/dbraw/zinc/47/53/48/663475348.db2.gz FRYRFDDEXORGLK-JKSUJKDBSA-N 1 3 309.454 0.947 20 0 DCADHO CCOC(=O)[C@@H]1[C@@H]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@@H]21 ZINC000903786141 663484934 /nfs/dbraw/zinc/48/49/34/663484934.db2.gz FGXYLVIEVWLCIO-LVNYTYFRSA-N 1 3 308.422 0.886 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C(C)C ZINC000903809929 663486604 /nfs/dbraw/zinc/48/66/04/663486604.db2.gz WKJKLRYECRMOQB-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]([C@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000903923626 663495955 /nfs/dbraw/zinc/49/59/55/663495955.db2.gz YRUNRGRGQGDXJW-ZNMIVQPWSA-N 1 3 322.457 0.401 20 0 DCADHO NC(=O)COc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903954218 663498364 /nfs/dbraw/zinc/49/83/64/663498364.db2.gz AOEXWEBBYGITIZ-LBPRGKRZSA-N 1 3 313.348 0.885 20 0 DCADHO O=S1(=O)CCNC[C@@H]1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000903970449 663498707 /nfs/dbraw/zinc/49/87/07/663498707.db2.gz XJTFCRDZPSYJLU-GBJTYRQASA-N 1 3 315.483 0.273 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904308548 663507737 /nfs/dbraw/zinc/50/77/37/663507737.db2.gz RQHQNOQFOYMYAH-OAGGEKHMSA-N 1 3 308.470 0.742 20 0 DCADHO CC(C)CN1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905065563 663529807 /nfs/dbraw/zinc/52/98/07/663529807.db2.gz IFKKFXOZSRIWPK-OAHLLOKOSA-N 1 3 300.443 0.599 20 0 DCADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)CC1(O)CCCC1 ZINC000905342043 663550849 /nfs/dbraw/zinc/55/08/49/663550849.db2.gz UFIFMTQWRZOXSV-HNNXBMFYSA-N 1 3 300.443 0.479 20 0 DCADHO C[NH+]1CCC(C(=O)NCC2CN(C[C@H]3CCCCO3)C2)CC1 ZINC001031948921 665991344 /nfs/dbraw/zinc/99/13/44/665991344.db2.gz UGHDTDDQSPAHFY-MRXNPFEDSA-N 1 3 309.454 0.945 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911160897 663995281 /nfs/dbraw/zinc/99/52/81/663995281.db2.gz GGQBVVXWJSDNDL-LSDHHAIUSA-N 1 3 324.469 0.278 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911160901 663995349 /nfs/dbraw/zinc/99/53/49/663995349.db2.gz GJQBLDXMOJBHOC-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000911162131 663995677 /nfs/dbraw/zinc/99/56/77/663995677.db2.gz PNXPZMRBFKWZCB-RBSFLKMASA-N 1 3 324.469 0.196 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000911161766 663995710 /nfs/dbraw/zinc/99/57/10/663995710.db2.gz MFGIOYUFUKNJJK-KRWDZBQOSA-N 1 3 322.453 0.189 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911205203 664004834 /nfs/dbraw/zinc/00/48/34/664004834.db2.gz AKZXTBRLWIXTJJ-ZNMIVQPWSA-N 1 3 322.453 0.045 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911257640 664016984 /nfs/dbraw/zinc/01/69/84/664016984.db2.gz JJBKLSUKGOBUCF-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000911290676 664019843 /nfs/dbraw/zinc/01/98/43/664019843.db2.gz HOFGDCRMWIORGY-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911329184 664029163 /nfs/dbraw/zinc/02/91/63/664029163.db2.gz HDSWMGTXRXQZAF-MGPQQGTHSA-N 1 3 310.442 0.029 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000911336515 664030672 /nfs/dbraw/zinc/03/06/72/664030672.db2.gz JXPLFYAJCGLPSX-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911432922 664051175 /nfs/dbraw/zinc/05/11/75/664051175.db2.gz SXKURXXFXQQSJX-JJRVBVJISA-N 1 3 322.453 0.187 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911562753 664076277 /nfs/dbraw/zinc/07/62/77/664076277.db2.gz LRNNJUZQABVBJE-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)COC1CC[NH+](C)CC1 ZINC000911666618 664096667 /nfs/dbraw/zinc/09/66/67/664096667.db2.gz YTRNIHPFFTZZJS-HNNXBMFYSA-N 1 3 321.421 0.922 20 0 DCADHO C[C@H]1CNCCN1C(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC000911724351 664102916 /nfs/dbraw/zinc/10/29/16/664102916.db2.gz LAKMWEDUOQPOPP-GWCFXTLKSA-N 1 3 302.378 0.333 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000913830570 664725529 /nfs/dbraw/zinc/72/55/29/664725529.db2.gz JCJDOXWOUUERCJ-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000732412956 664924276 /nfs/dbraw/zinc/92/42/76/664924276.db2.gz NNNKMPLDGFJFPU-JKSUJKDBSA-N 1 3 309.454 0.920 20 0 DCADHO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000732412956 664924277 /nfs/dbraw/zinc/92/42/77/664924277.db2.gz NNNKMPLDGFJFPU-JKSUJKDBSA-N 1 3 309.454 0.920 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000918880650 665187718 /nfs/dbraw/zinc/18/77/18/665187718.db2.gz DPYDRGRNIPRAGD-CJNGLKHVSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000918880650 665187719 /nfs/dbraw/zinc/18/77/19/665187719.db2.gz DPYDRGRNIPRAGD-CJNGLKHVSA-N 1 3 322.453 0.776 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCN(CCCF)C2)cn1 ZINC001015827115 665315516 /nfs/dbraw/zinc/31/55/16/665315516.db2.gz NCEYSROUPZDWCR-CQSZACIVSA-N 1 3 311.405 0.608 20 0 DCADHO O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001002875730 666238394 /nfs/dbraw/zinc/23/83/94/666238394.db2.gz QMVDCVDXYBDXKP-CABCVRRESA-N 1 3 313.417 0.790 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000925357464 666344674 /nfs/dbraw/zinc/34/46/74/666344674.db2.gz FJUJJCHPRRPXGP-ZIAGYGMSSA-N 1 3 308.426 0.877 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000925357464 666344676 /nfs/dbraw/zinc/34/46/76/666344676.db2.gz FJUJJCHPRRPXGP-ZIAGYGMSSA-N 1 3 308.426 0.877 20 0 DCADHO CC1(C)CO[C@H](CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001032130536 666366828 /nfs/dbraw/zinc/36/68/28/666366828.db2.gz UKMAKRQNOBSKLN-HNNXBMFYSA-N 1 3 321.465 0.945 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033278520 666659161 /nfs/dbraw/zinc/65/91/61/666659161.db2.gz PRBHWPYGCXPTKM-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033278520 666659163 /nfs/dbraw/zinc/65/91/63/666659163.db2.gz PRBHWPYGCXPTKM-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033279203 666659784 /nfs/dbraw/zinc/65/97/84/666659784.db2.gz UFIDTJWWVIJWLT-NDUQDZPOSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033279203 666659785 /nfs/dbraw/zinc/65/97/85/666659785.db2.gz UFIDTJWWVIJWLT-NDUQDZPOSA-N 1 3 319.449 0.792 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996381812 666779243 /nfs/dbraw/zinc/77/92/43/666779243.db2.gz ZSBGMPXSQBMYAK-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3nccn3C)CC2)CC[N@@H+]1C ZINC000996606456 666830110 /nfs/dbraw/zinc/83/01/10/666830110.db2.gz ISWHDQZHRAGPJE-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3nccn3C)CC2)CC[N@H+]1C ZINC000996606456 666830111 /nfs/dbraw/zinc/83/01/11/666830111.db2.gz ISWHDQZHRAGPJE-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996610052 666836902 /nfs/dbraw/zinc/83/69/02/666836902.db2.gz JEMKODFYZODPTG-HUUCEWRRSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996610052 666836904 /nfs/dbraw/zinc/83/69/04/666836904.db2.gz JEMKODFYZODPTG-HUUCEWRRSA-N 1 3 319.453 0.698 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861539091 666940405 /nfs/dbraw/zinc/94/04/05/666940405.db2.gz JSWPFDZKZMQZEZ-LLVKDONJSA-N 1 3 322.409 0.501 20 0 DCADHO O=C(N[C@H]1CCCCN(CCO)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034331625 666990053 /nfs/dbraw/zinc/99/00/53/666990053.db2.gz UMEJFDONSYDZFN-HOTGVXAUSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000996996901 667067444 /nfs/dbraw/zinc/06/74/44/667067444.db2.gz BIAJSXCPMBIVOX-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997004459 667068014 /nfs/dbraw/zinc/06/80/14/667068014.db2.gz CYLYPMUCDRGTBQ-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1)N(C)C ZINC000997008630 667071639 /nfs/dbraw/zinc/07/16/39/667071639.db2.gz COSAEISRUNDVOS-AWEZNQCLSA-N 1 3 308.430 0.236 20 0 DCADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)N1CCCC1 ZINC000997036996 667084435 /nfs/dbraw/zinc/08/44/35/667084435.db2.gz OYWNLMBLLPDWLC-UHFFFAOYSA-N 1 3 319.409 0.155 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCN1C ZINC000925341106 667152627 /nfs/dbraw/zinc/15/26/27/667152627.db2.gz FKFUDJGQMVRONV-KFWWJZLASA-N 1 3 312.458 0.831 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034881701 667167992 /nfs/dbraw/zinc/16/79/92/667167992.db2.gz MJROVBHQSWTZDX-HUUCEWRRSA-N 1 3 305.426 0.595 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001034957403 667198647 /nfs/dbraw/zinc/19/86/47/667198647.db2.gz SFLIQFULOVMITD-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001034973724 667201236 /nfs/dbraw/zinc/20/12/36/667201236.db2.gz BQBJSBHEJMICNS-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001034971304 667201372 /nfs/dbraw/zinc/20/13/72/667201372.db2.gz JLKJXKCAWBEJBO-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)CC1 ZINC001035067344 667237448 /nfs/dbraw/zinc/23/74/48/667237448.db2.gz PUBPUXMXCJCLAL-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997299108 667240440 /nfs/dbraw/zinc/24/04/40/667240440.db2.gz NOMKSJHSYPJKDR-LLVKDONJSA-N 1 3 309.439 0.570 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997299108 667240444 /nfs/dbraw/zinc/24/04/44/667240444.db2.gz NOMKSJHSYPJKDR-LLVKDONJSA-N 1 3 309.439 0.570 20 0 DCADHO Cn1cc(CC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000997306291 667244219 /nfs/dbraw/zinc/24/42/19/667244219.db2.gz BNZVWWODFZJWFI-UHFFFAOYSA-N 1 3 319.453 0.639 20 0 DCADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CCN(CCO)CC1 ZINC001005772040 667244507 /nfs/dbraw/zinc/24/45/07/667244507.db2.gz DVTCJMFHPWBLEP-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166347 667255919 /nfs/dbraw/zinc/25/59/19/667255919.db2.gz NJNGQLUZHFAFMX-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166347 667255926 /nfs/dbraw/zinc/25/59/26/667255926.db2.gz NJNGQLUZHFAFMX-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CCC2(CC[N@H+](CCO)C2)CC1)C1CCC1 ZINC001035194715 667269624 /nfs/dbraw/zinc/26/96/24/667269624.db2.gz ZLJHDESNQMEWNQ-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CC(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1)C1CCC1 ZINC001035194715 667269627 /nfs/dbraw/zinc/26/96/27/667269627.db2.gz ZLJHDESNQMEWNQ-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CCCO)C2)CC1 ZINC001035230626 667276845 /nfs/dbraw/zinc/27/68/45/667276845.db2.gz ADDUENWEBDNWDY-UHFFFAOYSA-N 1 3 306.410 0.649 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CCCO)C2)CC1 ZINC001035230626 667276847 /nfs/dbraw/zinc/27/68/47/667276847.db2.gz ADDUENWEBDNWDY-UHFFFAOYSA-N 1 3 306.410 0.649 20 0 DCADHO O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC2(CN(CCO)C2)CC1 ZINC001035707222 667402394 /nfs/dbraw/zinc/40/23/94/667402394.db2.gz STYDKFCGEOXVHT-HOTGVXAUSA-N 1 3 321.465 0.778 20 0 DCADHO O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC2(CN(CCO)C2)CC1 ZINC001035707222 667402395 /nfs/dbraw/zinc/40/23/95/667402395.db2.gz STYDKFCGEOXVHT-HOTGVXAUSA-N 1 3 321.465 0.778 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035781961 667409379 /nfs/dbraw/zinc/40/93/79/667409379.db2.gz FBGYBAFZRNIUCZ-UHFFFAOYSA-N 1 3 309.454 0.899 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035794528 667410409 /nfs/dbraw/zinc/41/04/09/667410409.db2.gz FKWRCAKRERZEFP-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035794528 667410410 /nfs/dbraw/zinc/41/04/10/667410410.db2.gz FKWRCAKRERZEFP-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035799217 667411248 /nfs/dbraw/zinc/41/12/48/667411248.db2.gz WJDNFGWZWPWPAP-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035834623 667413743 /nfs/dbraw/zinc/41/37/43/667413743.db2.gz NJTICHMUMNJMHZ-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035834623 667413744 /nfs/dbraw/zinc/41/37/44/667413744.db2.gz NJTICHMUMNJMHZ-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036031824 667421707 /nfs/dbraw/zinc/42/17/07/667421707.db2.gz ZPCRDSFQENSHPV-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000923287967 667496834 /nfs/dbraw/zinc/49/68/34/667496834.db2.gz SQJBUZMJZQLDNM-KFWWJZLASA-N 1 3 322.453 0.092 20 0 DCADHO COCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000884205090 667497766 /nfs/dbraw/zinc/49/77/66/667497766.db2.gz MGXKQEMEXIOFEP-AWEZNQCLSA-N 1 3 322.409 0.879 20 0 DCADHO CS(=O)(=O)N[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923302551 667500703 /nfs/dbraw/zinc/50/07/03/667500703.db2.gz BVHKHNHQTPCVEF-DKUMPPAJSA-N 1 3 315.483 0.921 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](N)CCOC)C1 ZINC000884230089 667505757 /nfs/dbraw/zinc/50/57/57/667505757.db2.gz IUDZBGMPSRLYQA-KBPBESRZSA-N 1 3 301.431 0.310 20 0 DCADHO Cc1nc(CN(C)[C@@H]2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)no1 ZINC000923328400 667505899 /nfs/dbraw/zinc/50/58/99/667505899.db2.gz ZLXTWWFPOSDPON-KGLIPLIRSA-N 1 3 321.425 0.263 20 0 DCADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC(CN)C[NH3+] ZINC000923355956 667515338 /nfs/dbraw/zinc/51/53/38/667515338.db2.gz HCXKYOCYODRYSM-OAHLLOKOSA-N 1 3 309.454 0.908 20 0 DCADHO COCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000884299270 667519113 /nfs/dbraw/zinc/51/91/13/667519113.db2.gz PMSXXANFRZPYDR-NUEKZKHPSA-N 1 3 323.412 0.999 20 0 DCADHO CC1(C)CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCN1 ZINC000884304053 667519456 /nfs/dbraw/zinc/51/94/56/667519456.db2.gz FOIPFOCVCOJVBY-UHFFFAOYSA-N 1 3 303.410 0.315 20 0 DCADHO CCOc1ccc(OC[C@H](O)CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000923381797 667521187 /nfs/dbraw/zinc/52/11/87/667521187.db2.gz OTIQJUGEMGVYKK-CQSZACIVSA-N 1 3 324.421 0.611 20 0 DCADHO C[C@@H](CN1CCC2(CO[C@@H](C[NH3+])C2)CC1)CS(C)(=O)=O ZINC000923448723 667534572 /nfs/dbraw/zinc/53/45/72/667534572.db2.gz GSYJOCBMJISCKI-QWHCGFSZSA-N 1 3 304.456 0.497 20 0 DCADHO COCC[C@H](N)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000884467838 667550394 /nfs/dbraw/zinc/55/03/94/667550394.db2.gz GZUGGPBKEDLTTI-SOUVJXGZSA-N 1 3 307.394 0.312 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884577572 667569138 /nfs/dbraw/zinc/56/91/38/667569138.db2.gz IFNRFZNNHVPKDP-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000884577435 667569162 /nfs/dbraw/zinc/56/91/62/667569162.db2.gz FGHXUMAGDUQTOQ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)N2CCNCC2)C1 ZINC000923589740 667573503 /nfs/dbraw/zinc/57/35/03/667573503.db2.gz UBRXFEUURCAFCM-ZIAGYGMSSA-N 1 3 318.487 0.094 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000884775406 667605189 /nfs/dbraw/zinc/60/51/89/667605189.db2.gz CZJYUNSEBWFLNY-MGPQQGTHSA-N 1 3 308.426 0.069 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000884776213 667605799 /nfs/dbraw/zinc/60/57/99/667605799.db2.gz PCTKYADVCWVBAX-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884885265 667618908 /nfs/dbraw/zinc/61/89/08/667618908.db2.gz YGLVLIARJSWEGN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000884921842 667623866 /nfs/dbraw/zinc/62/38/66/667623866.db2.gz GWDBXTUTYXNTNW-KKUMJFAQSA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885007408 667634525 /nfs/dbraw/zinc/63/45/25/667634525.db2.gz HUXQGYUUNBLCLF-LXTVHRRPSA-N 1 3 322.453 0.234 20 0 DCADHO COC(=O)c1cc2n(n1)CCC[C@@H]2NCCOCC[NH+](C)C ZINC000886598992 667781426 /nfs/dbraw/zinc/78/14/26/667781426.db2.gz OSUCCKPXXHALKI-LBPRGKRZSA-N 1 3 310.398 0.672 20 0 DCADHO CN1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)Cc2cccnc21 ZINC000872257463 667882593 /nfs/dbraw/zinc/88/25/93/667882593.db2.gz IKEKEPQJKXSTNY-AWEZNQCLSA-N 1 3 317.437 0.531 20 0 DCADHO CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)Cc2cccnc21 ZINC000872257463 667882597 /nfs/dbraw/zinc/88/25/97/667882597.db2.gz IKEKEPQJKXSTNY-AWEZNQCLSA-N 1 3 317.437 0.531 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000889761138 667992864 /nfs/dbraw/zinc/99/28/64/667992864.db2.gz JWQUMYCILDDJIV-CVEARBPZSA-N 1 3 309.454 0.776 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCOc3cc(N)ccc3C2)C1 ZINC000873218401 668067192 /nfs/dbraw/zinc/06/71/92/668067192.db2.gz FYKLBVHWOZBDEB-ZDUSSCGKSA-N 1 3 318.421 0.661 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCOc3cc(N)ccc3C2)C1 ZINC000873218401 668067198 /nfs/dbraw/zinc/06/71/98/668067198.db2.gz FYKLBVHWOZBDEB-ZDUSSCGKSA-N 1 3 318.421 0.661 20 0 DCADHO O=C1OC[C@]2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)COCCN12 ZINC000873248387 668068879 /nfs/dbraw/zinc/06/88/79/668068879.db2.gz DYFCEVDVGHQDIY-AYDFFVQHSA-N 1 3 309.410 0.718 20 0 DCADHO CN1CCN(C(=O)CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925493033 668324887 /nfs/dbraw/zinc/32/48/87/668324887.db2.gz VGHSLKULDCOVEP-SJORKVTESA-N 1 3 322.497 0.908 20 0 DCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(CCN3CCOCC3)C1)[NH2+]2 ZINC000925499341 668325341 /nfs/dbraw/zinc/32/53/41/668325341.db2.gz XTJOYVRLNIUHMS-DISONHOPSA-N 1 3 322.497 0.512 20 0 DCADHO COC(=O)c1cn(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)nn1 ZINC000925667882 668340136 /nfs/dbraw/zinc/34/01/36/668340136.db2.gz UATLTGVZHRPQNF-KBPBESRZSA-N 1 3 321.425 0.823 20 0 DCADHO C(CN1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)N1CCOCC1 ZINC000925768943 668346691 /nfs/dbraw/zinc/34/66/91/668346691.db2.gz MSIYAEBRYZZNSG-SOABOVLPSA-N 1 3 322.497 0.656 20 0 DCADHO O=C1NCCN1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925776704 668347618 /nfs/dbraw/zinc/34/76/18/668347618.db2.gz HXUYNTUDYOMTTD-YOEHRIQHSA-N 1 3 316.405 0.857 20 0 DCADHO C[C@H]1COC[C@@H]1N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925935927 668357728 /nfs/dbraw/zinc/35/77/28/668357728.db2.gz GXUDZMFXOGTXKI-XIRDDKMYSA-N 1 3 319.449 0.900 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)Nc1ccnn1CCN(C)C ZINC000926129769 668375436 /nfs/dbraw/zinc/37/54/36/668375436.db2.gz GSPLBYYCOPLVBD-CHWSQXEVSA-N 1 3 308.430 0.812 20 0 DCADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000926335284 668395255 /nfs/dbraw/zinc/39/52/55/668395255.db2.gz XKRAVUBJVDMKJI-LSDHHAIUSA-N 1 3 322.453 0.271 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876748520 668501023 /nfs/dbraw/zinc/50/10/23/668501023.db2.gz DPZBUPQGDCKJIE-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO Cc1cc(NC(=O)[C@@H](N)CN(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000876768141 668506423 /nfs/dbraw/zinc/50/64/23/668506423.db2.gz DVSUSFOLQDUDCW-ZDUSSCGKSA-N 1 3 308.430 0.286 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876781382 668509605 /nfs/dbraw/zinc/50/96/05/668509605.db2.gz HBFXNGJWEXIONU-AGIUHOORSA-N 1 3 318.412 0.216 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000876782737 668510683 /nfs/dbraw/zinc/51/06/83/668510683.db2.gz UNVGRCUQVHSMHM-VCMBOFEFSA-N 1 3 308.470 0.398 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876875788 668525343 /nfs/dbraw/zinc/52/53/43/668525343.db2.gz APUORVIOFWRRNR-RDBSUJKOSA-N 1 3 301.406 0.503 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876966263 668544016 /nfs/dbraw/zinc/54/40/16/668544016.db2.gz SKHMAAOFEBRUNX-WBTMPAOCSA-N 1 3 310.442 0.021 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000877154678 668569080 /nfs/dbraw/zinc/56/90/80/668569080.db2.gz WWWNPTZYISOFAB-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO O[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)C[C@]1(O)CCOC1 ZINC000929276109 668671078 /nfs/dbraw/zinc/67/10/78/668671078.db2.gz OOXHDZRKLPNZEF-IAGOWNOFSA-N 1 3 312.454 0.697 20 0 DCADHO O[C@H](CN1CCC(C[NH+]2CCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000929276110 668671159 /nfs/dbraw/zinc/67/11/59/668671159.db2.gz OOXHDZRKLPNZEF-IRXDYDNUSA-N 1 3 312.454 0.697 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)CC1 ZINC000930916046 669104926 /nfs/dbraw/zinc/10/49/26/669104926.db2.gz LEUXREXIKHVVRB-VNHYZAJKSA-N 1 3 324.469 0.561 20 0 DCADHO C([C@@H]1C[C@H]2COC[C@H]2O1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284437 669174024 /nfs/dbraw/zinc/17/40/24/669174024.db2.gz SIWGTHSSTIUQGO-BHYGNILZSA-N 1 3 310.438 0.977 20 0 DCADHO C[NH+](C)CC1(O)CCN(C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000931479797 669209987 /nfs/dbraw/zinc/20/99/87/669209987.db2.gz BTMRXRLADSIWSR-SJORKVTESA-N 1 3 322.449 0.860 20 0 DCADHO CN1CCN(C(=O)CCN2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000880473616 669215693 /nfs/dbraw/zinc/21/56/93/669215693.db2.gz KJHGPJPYXOQJEK-UHFFFAOYSA-N 1 3 308.470 0.711 20 0 DCADHO CN1CCN(C(=O)CC[NH+]2CCC(C)(N3CCC3)CC2)CC1 ZINC000880473616 669215695 /nfs/dbraw/zinc/21/56/95/669215695.db2.gz KJHGPJPYXOQJEK-UHFFFAOYSA-N 1 3 308.470 0.711 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)N1CCCCC1 ZINC000793694715 669734638 /nfs/dbraw/zinc/73/46/38/669734638.db2.gz BKGMLGJRSWDRMO-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)N1CCCCC1 ZINC000793694715 669734643 /nfs/dbraw/zinc/73/46/43/669734643.db2.gz BKGMLGJRSWDRMO-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)N1CCCCC1 ZINC000793706351 669736516 /nfs/dbraw/zinc/73/65/16/669736516.db2.gz GWZAELFUFSYFCB-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)N1CCCCC1 ZINC000793706351 669736518 /nfs/dbraw/zinc/73/65/18/669736518.db2.gz GWZAELFUFSYFCB-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC(N)=O ZINC001691766576 1157950035 /nfs/dbraw/zinc/95/00/35/1157950035.db2.gz BXVBRCZLXSXFHG-OKILXGFUSA-N 1 3 312.458 0.561 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCO)C2)CC1 ZINC001036853816 670221653 /nfs/dbraw/zinc/22/16/53/670221653.db2.gz ZPFJOWVTRWULRR-HOTGVXAUSA-N 1 3 309.454 0.633 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)CC1 ZINC001036853816 670221654 /nfs/dbraw/zinc/22/16/54/670221654.db2.gz ZPFJOWVTRWULRR-HOTGVXAUSA-N 1 3 309.454 0.633 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849482110 670810656 /nfs/dbraw/zinc/81/06/56/670810656.db2.gz QEJBZLFATSZYFL-HOTGVXAUSA-N 1 3 321.469 0.913 20 0 DCADHO CC(=O)N1CCN(C(=O)CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858131299 670973137 /nfs/dbraw/zinc/97/31/37/670973137.db2.gz QUQXJEDBIAWPPV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(=O)N1CCN(C(=O)CCN[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000858131299 670973140 /nfs/dbraw/zinc/97/31/40/670973140.db2.gz QUQXJEDBIAWPPV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000852095412 671086531 /nfs/dbraw/zinc/08/65/31/671086531.db2.gz WOJWCKQFZOSXJS-BZUAXINKSA-N 1 3 300.443 0.597 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859523493 671122819 /nfs/dbraw/zinc/12/28/19/671122819.db2.gz XCFOVSAMVWZJGV-JKSUJKDBSA-N 1 3 314.470 0.941 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859523493 671122823 /nfs/dbraw/zinc/12/28/23/671122823.db2.gz XCFOVSAMVWZJGV-JKSUJKDBSA-N 1 3 314.470 0.941 20 0 DCADHO C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCCCC1 ZINC000852793341 671160691 /nfs/dbraw/zinc/16/06/91/671160691.db2.gz YAQCRAFOBIMFNE-CYBMUJFWSA-N 1 3 320.441 0.807 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852799297 671161415 /nfs/dbraw/zinc/16/14/15/671161415.db2.gz TUMPUDIVEDNSKR-FRRDWIJNSA-N 1 3 319.409 0.080 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@](C)(CO)C1CC1 ZINC000820080779 671163659 /nfs/dbraw/zinc/16/36/59/671163659.db2.gz KTYHJXWCKUVJIW-BBRMVZONSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@](C)(CO)C1CC1 ZINC000820080779 671163661 /nfs/dbraw/zinc/16/36/61/671163661.db2.gz KTYHJXWCKUVJIW-BBRMVZONSA-N 1 3 314.474 0.719 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[NH2+]C(C)(C)C ZINC000825224077 671453358 /nfs/dbraw/zinc/45/33/58/671453358.db2.gz RMRMLGZBRXIAPG-UHFFFAOYSA-N 1 3 300.447 0.243 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000827319514 671522354 /nfs/dbraw/zinc/52/23/54/671522354.db2.gz DPGYOIPRLPBJLH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000827319514 671522355 /nfs/dbraw/zinc/52/23/55/671522355.db2.gz DPGYOIPRLPBJLH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000827936479 671539978 /nfs/dbraw/zinc/53/99/78/671539978.db2.gz LBYKDLDXTOZPSM-FRRDWIJNSA-N 1 3 319.409 0.080 20 0 DCADHO Cc1cc([C@@H](N)CC(=O)N2CCO[C@H](C[NH3+])C2)cc(Cl)n1 ZINC000834528381 671769503 /nfs/dbraw/zinc/76/95/03/671769503.db2.gz DUOWBLWIMVUXRU-NEPJUHHUSA-N 1 3 312.801 0.619 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000841791510 671956482 /nfs/dbraw/zinc/95/64/82/671956482.db2.gz YQSHAJYZWTYTDV-CVEARBPZSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000842016471 671975200 /nfs/dbraw/zinc/97/52/00/671975200.db2.gz WDMCNSNKWAIXDR-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000842016502 671975292 /nfs/dbraw/zinc/97/52/92/671975292.db2.gz WKTZBQADVDYBHZ-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCO1 ZINC000843385930 672090281 /nfs/dbraw/zinc/09/02/81/672090281.db2.gz AARACFGIWDDOPX-BZUAXINKSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1ccnc(N2CCN(CCCCCCC[NH3+])CC2)c1=O ZINC000844221667 672165443 /nfs/dbraw/zinc/16/54/43/672165443.db2.gz ROTRJVKYPAHONX-UHFFFAOYSA-N 1 3 307.442 0.812 20 0 DCADHO CCN1CCN(CCC[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000893327493 685435790 /nfs/dbraw/zinc/43/57/90/685435790.db2.gz JUYPGBDHNSDUBF-UHFFFAOYSA-N 1 3 303.472 0.179 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCn2cccn2)C1 ZINC001024802487 693832930 /nfs/dbraw/zinc/83/29/30/693832930.db2.gz WDLGPLZYLVDRGD-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCn2cccn2)C1 ZINC001024802487 693832933 /nfs/dbraw/zinc/83/29/33/693832933.db2.gz WDLGPLZYLVDRGD-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037847765 693955503 /nfs/dbraw/zinc/95/55/03/693955503.db2.gz BIXOMEGMQPCLBT-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954834792 686154205 /nfs/dbraw/zinc/15/42/05/686154205.db2.gz HZDGAZDXIAJCLG-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954834792 686154209 /nfs/dbraw/zinc/15/42/09/686154209.db2.gz HZDGAZDXIAJCLG-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000958718457 687872840 /nfs/dbraw/zinc/87/28/40/687872840.db2.gz UWGSTUHHEJRWFL-JKSUJKDBSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000958718457 687872847 /nfs/dbraw/zinc/87/28/47/687872847.db2.gz UWGSTUHHEJRWFL-JKSUJKDBSA-N 1 3 305.422 0.791 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)C1 ZINC000960327146 688351388 /nfs/dbraw/zinc/35/13/88/688351388.db2.gz MZXRMQZSTYSKBI-FDQGKXFDSA-N 1 3 317.433 0.692 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)C1 ZINC000960327146 688351394 /nfs/dbraw/zinc/35/13/94/688351394.db2.gz MZXRMQZSTYSKBI-FDQGKXFDSA-N 1 3 317.433 0.692 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC000962309515 688879874 /nfs/dbraw/zinc/87/98/74/688879874.db2.gz MOYOWIOHNKRYJX-HLIUYOAVSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC2CC(CNCc3nccn3C)C2)C1 ZINC000962310488 688880861 /nfs/dbraw/zinc/88/08/61/688880861.db2.gz WNVNMECVVXCPPY-NFOMZHRRSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNCc3nccn3C)C2)C1 ZINC000962310488 688880866 /nfs/dbraw/zinc/88/08/66/688880866.db2.gz WNVNMECVVXCPPY-NFOMZHRRSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]([NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1)C(N)=O ZINC000965065396 689348153 /nfs/dbraw/zinc/34/81/53/689348153.db2.gz VVJKQRVEWTULFI-JPTAGCNVSA-N 1 3 322.453 0.219 20 0 DCADHO C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000965065023 689348231 /nfs/dbraw/zinc/34/82/31/689348231.db2.gz TUZSXOQZGLGNDY-HWOPYCMZSA-N 1 3 309.454 0.869 20 0 DCADHO Cn1nccc1CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967924000 690123052 /nfs/dbraw/zinc/12/30/52/690123052.db2.gz DNXZCCXXYLJCBL-HIFRSBDPSA-N 1 3 305.426 0.247 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000967924423 690123608 /nfs/dbraw/zinc/12/36/08/690123608.db2.gz HSOGOHRDKAGXJS-HUUCEWRRSA-N 1 3 318.421 0.170 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000969098997 690470429 /nfs/dbraw/zinc/47/04/29/690470429.db2.gz IRKQVXRRICQXGD-HZPDHXFCSA-N 1 3 319.453 0.903 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015323779 692263729 /nfs/dbraw/zinc/26/37/29/692263729.db2.gz KFDUGWOUGWHBEH-GWUWNPHMSA-N 1 3 305.422 0.450 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015323779 692263731 /nfs/dbraw/zinc/26/37/31/692263731.db2.gz KFDUGWOUGWHBEH-GWUWNPHMSA-N 1 3 305.422 0.450 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCO)C3)CCC1 ZINC001040242437 694520387 /nfs/dbraw/zinc/52/03/87/694520387.db2.gz XUZIGVCMCOHLSP-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCO)C3)CCC1 ZINC001040242437 694520389 /nfs/dbraw/zinc/52/03/89/694520389.db2.gz XUZIGVCMCOHLSP-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001018972817 693302644 /nfs/dbraw/zinc/30/26/44/693302644.db2.gz QKZSQJRAFWSNAK-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001019325213 693433511 /nfs/dbraw/zinc/43/35/11/693433511.db2.gz OZBKZXOEUNCXCU-INIZCTEOSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019381409 693454994 /nfs/dbraw/zinc/45/49/94/693454994.db2.gz JAVUBFVIXYMBQF-GJZGRUSLSA-N 1 3 305.426 0.558 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001019469990 693483665 /nfs/dbraw/zinc/48/36/65/693483665.db2.gz YFUCODFKYVAKIK-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020214009 693734221 /nfs/dbraw/zinc/73/42/21/693734221.db2.gz DMNVYRAQJHNFPL-YDHLFZDLSA-N 1 3 320.441 0.426 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020214009 693734225 /nfs/dbraw/zinc/73/42/25/693734225.db2.gz DMNVYRAQJHNFPL-YDHLFZDLSA-N 1 3 320.441 0.426 20 0 DCADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2)C1CC1 ZINC001072814391 694669627 /nfs/dbraw/zinc/66/96/27/694669627.db2.gz CFPNROUKAFDPHO-HOCLYGCPSA-N 1 3 321.465 0.897 20 0 DCADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2)C1CC1 ZINC001072814391 694669629 /nfs/dbraw/zinc/66/96/29/694669629.db2.gz CFPNROUKAFDPHO-HOCLYGCPSA-N 1 3 321.465 0.897 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074826187 694925603 /nfs/dbraw/zinc/92/56/03/694925603.db2.gz YXDZJUFSNONXLN-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074826187 694925604 /nfs/dbraw/zinc/92/56/04/694925604.db2.gz YXDZJUFSNONXLN-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001076713217 695040081 /nfs/dbraw/zinc/04/00/81/695040081.db2.gz POZTWLFKBGXCGW-IOCWDNCASA-N 1 3 306.366 0.003 20 0 DCADHO CC1CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001076713217 695040082 /nfs/dbraw/zinc/04/00/82/695040082.db2.gz POZTWLFKBGXCGW-IOCWDNCASA-N 1 3 306.366 0.003 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC[C@H](C)O)C1 ZINC001571186987 1162679794 /nfs/dbraw/zinc/67/97/94/1162679794.db2.gz JEJXONXULNOCQX-UBHSHLNASA-N 1 3 308.426 0.906 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691321625 1157642516 /nfs/dbraw/zinc/64/25/16/1157642516.db2.gz FBTLYYAIRDKCPC-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC(N)=O ZINC001691766576 1157950030 /nfs/dbraw/zinc/95/00/30/1157950030.db2.gz BXVBRCZLXSXFHG-OKILXGFUSA-N 1 3 312.458 0.561 20 0 DCADHO CN(C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CN2CCC1CC2 ZINC001649042187 1158618365 /nfs/dbraw/zinc/61/83/65/1158618365.db2.gz LOBBPGAVQWTHHW-GDBMZVCRSA-N 1 3 306.410 0.438 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1[NH2+]CC12CCOCC2 ZINC001649051342 1158624348 /nfs/dbraw/zinc/62/43/48/1158624348.db2.gz RWOOOJONBHWFTP-JKSUJKDBSA-N 1 3 315.417 0.586 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001687482493 1158647249 /nfs/dbraw/zinc/64/72/49/1158647249.db2.gz VGECWSALGPFDTE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001687482493 1158647251 /nfs/dbraw/zinc/64/72/51/1158647251.db2.gz VGECWSALGPFDTE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CN(CCO)CCCO1)[NH+](CC)CC ZINC001150298890 1158842371 /nfs/dbraw/zinc/84/23/71/1158842371.db2.gz IZLUYJYRRACOBM-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001442104109 1159286854 /nfs/dbraw/zinc/28/68/54/1159286854.db2.gz WBVFEERBXYKUMN-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001446536499 1159462441 /nfs/dbraw/zinc/46/24/41/1159462441.db2.gz KNYRNDMPPXGFBY-DZGCQCFKSA-N 1 3 303.422 0.629 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001446536499 1159462446 /nfs/dbraw/zinc/46/24/46/1159462446.db2.gz KNYRNDMPPXGFBY-DZGCQCFKSA-N 1 3 303.422 0.629 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001447306244 1159614361 /nfs/dbraw/zinc/61/43/61/1159614361.db2.gz LXCZXAGFOQHDHM-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2nc(C)no2)C1)N(C)C ZINC001566811724 1160158986 /nfs/dbraw/zinc/15/89/86/1160158986.db2.gz XVDDFTOOXFTWNA-IHRRRGAJSA-N 1 3 323.441 0.888 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001566947617 1160191975 /nfs/dbraw/zinc/19/19/75/1160191975.db2.gz BYPWYEZASTWKKY-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CCn1cc(CC[NH2+]CCN(C)C(=O)CN2CCCC2)cn1 ZINC001567606359 1160438016 /nfs/dbraw/zinc/43/80/16/1160438016.db2.gz JEYZODBNGLOYPG-UHFFFAOYSA-N 1 3 307.442 0.589 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC(N)=O)C1 ZINC001568393729 1160639803 /nfs/dbraw/zinc/63/98/03/1160639803.db2.gz RHCUOKCKRVYGBW-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC(N)=O)C1 ZINC001568393732 1160640527 /nfs/dbraw/zinc/64/05/27/1160640527.db2.gz RHCUOKCKRVYGBW-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568775916 1160768813 /nfs/dbraw/zinc/76/88/13/1160768813.db2.gz QATVMBYTMPKYFD-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001568775916 1160768815 /nfs/dbraw/zinc/76/88/15/1160768815.db2.gz QATVMBYTMPKYFD-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568872383 1160833136 /nfs/dbraw/zinc/83/31/36/1160833136.db2.gz WOMIVSIDUUEBDX-XGACYXMMSA-N 1 3 322.453 0.259 20 0 DCADHO CN1CC[C@@H](NC/C=C/CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001568970707 1160904754 /nfs/dbraw/zinc/90/47/54/1160904754.db2.gz ZCLONAKQYZPEPW-NHZBNJEXSA-N 1 3 322.453 0.355 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001575141449 1163916187 /nfs/dbraw/zinc/91/61/87/1163916187.db2.gz XIXCMIOSDLITHN-CABCVRRESA-N 1 3 323.485 0.548 20 0 DCADHO CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnn[n-]2)[C@H](C)C1 ZINC001575408775 1164004508 /nfs/dbraw/zinc/00/45/08/1164004508.db2.gz ZVUNPKPEMLRPMJ-CHWSQXEVSA-N 1 3 308.430 0.329 20 0 DCADHO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnn[n-]2)[C@H](C)C1 ZINC001575408775 1164004515 /nfs/dbraw/zinc/00/45/15/1164004515.db2.gz ZVUNPKPEMLRPMJ-CHWSQXEVSA-N 1 3 308.430 0.329 20 0 DCADHO C[C@@H]1C[C@@H](NCc2c[nH]nn2)CN1C(=O)CCCC[NH+](C)C ZINC001576056527 1164226240 /nfs/dbraw/zinc/22/62/40/1164226240.db2.gz CIIWOFQRFRNOLF-CHWSQXEVSA-N 1 3 308.430 0.616 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](CNCc1cn[nH]n1)C1CC1 ZINC001576517571 1164373377 /nfs/dbraw/zinc/37/33/77/1164373377.db2.gz PICDJWLSVSZITL-CQSZACIVSA-N 1 3 308.430 0.473 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](CNCc1cn[nH]n1)C1CC1 ZINC001576517571 1164373383 /nfs/dbraw/zinc/37/33/83/1164373383.db2.gz PICDJWLSVSZITL-CQSZACIVSA-N 1 3 308.430 0.473 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](CNCc1c[nH]nn1)C1CC1 ZINC001576517571 1164373390 /nfs/dbraw/zinc/37/33/90/1164373390.db2.gz PICDJWLSVSZITL-CQSZACIVSA-N 1 3 308.430 0.473 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](CNCc1c[nH]nn1)C1CC1 ZINC001576517571 1164373396 /nfs/dbraw/zinc/37/33/96/1164373396.db2.gz PICDJWLSVSZITL-CQSZACIVSA-N 1 3 308.430 0.473 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@]2(CC[NH2+]C2)C1 ZINC001576798223 1164468717 /nfs/dbraw/zinc/46/87/17/1164468717.db2.gz OZPADCKMFGREEC-INWMFGNUSA-N 1 3 308.426 0.243 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](NCc3cn[nH]n3)C2)CC1 ZINC001576882003 1164513689 /nfs/dbraw/zinc/51/36/89/1164513689.db2.gz FWEJBRDSIJKMKU-BETUJISGSA-N 1 3 306.414 0.273 20 0 DCADHO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001577335762 1164673709 /nfs/dbraw/zinc/67/37/09/1164673709.db2.gz BFBWFRLODIXYEK-KGLIPLIRSA-N 1 3 312.458 0.326 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001578418588 1165008530 /nfs/dbraw/zinc/00/85/30/1165008530.db2.gz CAKVJQNTEMRDGF-AWEZNQCLSA-N 1 3 307.442 0.954 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)ccc1=O ZINC001578419299 1165008801 /nfs/dbraw/zinc/00/88/01/1165008801.db2.gz QGZQBNRCUJBIRR-STQMWFEESA-N 1 3 306.410 0.722 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC001578471724 1165027154 /nfs/dbraw/zinc/02/71/54/1165027154.db2.gz JKHQFZRCYCBBGP-JTQLQIEISA-N 1 3 319.318 0.772 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001578640136 1165073861 /nfs/dbraw/zinc/07/38/61/1165073861.db2.gz FPGYACHPEWWIMW-CJNGLKHVSA-N 1 3 323.437 0.919 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001579500044 1165333958 /nfs/dbraw/zinc/33/39/58/1165333958.db2.gz PYUNKTBGGVRPGA-UNQGMJICSA-N 1 3 305.426 0.322 20 0 DCADHO NCc1cn([C@@H]2CCC[N@H+](C[C@H](O)CC3(O)CCCC3)C2)nn1 ZINC001580349052 1165578609 /nfs/dbraw/zinc/57/86/09/1165578609.db2.gz GGBSDGWMPNVLBE-HUUCEWRRSA-N 1 3 323.441 0.430 20 0 DCADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@H](O)CC3(O)CCCC3)C2)nn1 ZINC001580349052 1165578613 /nfs/dbraw/zinc/57/86/13/1165578613.db2.gz GGBSDGWMPNVLBE-HUUCEWRRSA-N 1 3 323.441 0.430 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC001580498123 1165622918 /nfs/dbraw/zinc/62/29/18/1165622918.db2.gz SKQSMQMQHGVINU-KRWDZBQOSA-N 1 3 309.454 0.968 20 0 DCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC001580662044 1165678197 /nfs/dbraw/zinc/67/81/97/1165678197.db2.gz ZMYMOYARDKEUOI-GJZGRUSLSA-N 1 3 322.453 0.681 20 0 DCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N1CCC12CC[NH2+]CC2 ZINC001580660973 1165678789 /nfs/dbraw/zinc/67/87/89/1165678789.db2.gz JPPWAXCEHQKFGT-HNNXBMFYSA-N 1 3 322.453 0.777 20 0 DCADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@H](O)c2ccccc2)C1 ZINC001580859082 1165741575 /nfs/dbraw/zinc/74/15/75/1165741575.db2.gz TVVWQKHDBWXPOG-WCVJEAGWSA-N 1 3 317.389 0.587 20 0 DCADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@H]1CCC2(C1)OCCO2 ZINC001580898255 1165754042 /nfs/dbraw/zinc/75/40/42/1165754042.db2.gz AQNXXJXQASBDLH-STQMWFEESA-N 1 3 307.398 0.588 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001591024337 1167085366 /nfs/dbraw/zinc/08/53/66/1167085366.db2.gz DGUOPLJANQUWIJ-BYCMXARLSA-N 1 3 316.409 0.830 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591024337 1167085371 /nfs/dbraw/zinc/08/53/71/1167085371.db2.gz DGUOPLJANQUWIJ-BYCMXARLSA-N 1 3 316.409 0.830 20 0 DCADHO C[NH2+]CC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591218743 1167164872 /nfs/dbraw/zinc/16/48/72/1167164872.db2.gz ZRNINRYVBKJMOQ-HNNXBMFYSA-N 1 3 316.409 0.832 20 0 DCADHO C[NH2+]CC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591218743 1167164878 /nfs/dbraw/zinc/16/48/78/1167164878.db2.gz ZRNINRYVBKJMOQ-HNNXBMFYSA-N 1 3 316.409 0.832 20 0 DCADHO [NH3+]CCCOCC[NH2+][C@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001592745092 1167626849 /nfs/dbraw/zinc/62/68/49/1167626849.db2.gz QRVWWLDWSSWNDS-AWEZNQCLSA-N 1 3 302.382 0.809 20 0 DCADHO [NH3+]CCCOCC[NH2+][C@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001592745092 1167626854 /nfs/dbraw/zinc/62/68/54/1167626854.db2.gz QRVWWLDWSSWNDS-AWEZNQCLSA-N 1 3 302.382 0.809 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1C[NH3+] ZINC001603933515 1169442119 /nfs/dbraw/zinc/44/21/19/1169442119.db2.gz WHFNTIAQSKHPKJ-KCPJHIHWSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1C[NH3+] ZINC001603933515 1169442124 /nfs/dbraw/zinc/44/21/24/1169442124.db2.gz WHFNTIAQSKHPKJ-KCPJHIHWSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C[NH3+] ZINC001603933515 1169442129 /nfs/dbraw/zinc/44/21/29/1169442129.db2.gz WHFNTIAQSKHPKJ-KCPJHIHWSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C[NH3+] ZINC001603933515 1169442131 /nfs/dbraw/zinc/44/21/31/1169442131.db2.gz WHFNTIAQSKHPKJ-KCPJHIHWSA-N 1 3 316.409 0.817 20 0 DCADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001650156355 1171550989 /nfs/dbraw/zinc/55/09/89/1171550989.db2.gz BLOVXCNTEDYNQI-HUUCEWRRSA-N 1 3 300.443 0.864 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC001650156355 1171550992 /nfs/dbraw/zinc/55/09/92/1171550992.db2.gz BLOVXCNTEDYNQI-HUUCEWRRSA-N 1 3 300.443 0.864 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC001650156355 1171550995 /nfs/dbraw/zinc/55/09/95/1171550995.db2.gz BLOVXCNTEDYNQI-HUUCEWRRSA-N 1 3 300.443 0.864 20 0 DCADHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1OCC(N)=O ZINC001645798170 1172146269 /nfs/dbraw/zinc/14/62/69/1172146269.db2.gz PQRHRHHGTCTJHC-GFCCVEGCSA-N 1 3 309.410 0.847 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001646570390 1172427338 /nfs/dbraw/zinc/42/73/38/1172427338.db2.gz PBWUKNMRLSHGBG-CBBWQLFWSA-N 1 3 310.442 0.632 20 0 DCADHO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(C2CCCC2)CC1 ZINC001646737075 1172500136 /nfs/dbraw/zinc/50/01/36/1172500136.db2.gz QMFTWQCTQZATHF-INIZCTEOSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc([C@H](C)N)n1 ZINC001646744576 1172506805 /nfs/dbraw/zinc/50/68/05/1172506805.db2.gz ULYFZGURUZHRFV-MNOVXSKESA-N 1 3 311.455 0.529 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[C@@H]2CSCC[NH2+]2)C1(C)C ZINC001646758363 1172514184 /nfs/dbraw/zinc/51/41/84/1172514184.db2.gz LCTBPWXNKHBRDU-JMSVASOKSA-N 1 3 315.483 0.730 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH2+]CC(C)C)CC1 ZINC001649858000 1173265489 /nfs/dbraw/zinc/26/54/89/1173265489.db2.gz PECPEFHHFWCVND-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)C2([S@@](C)=O)CC[NH2+]CC2)CCN1C ZINC001649962655 1173342360 /nfs/dbraw/zinc/34/23/60/1173342360.db2.gz YLBOGSXLOFDKDR-RRMDADRESA-N 1 3 315.483 0.428 20 0 DCADHO Cc1nc([C@@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)no1 ZINC001650015368 1173377439 /nfs/dbraw/zinc/37/74/39/1173377439.db2.gz PSPOUECIWHOTNZ-QWHCGFSZSA-N 1 3 307.398 0.365 20 0 DCADHO Cc1nc([C@@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)no1 ZINC001650015368 1173377442 /nfs/dbraw/zinc/37/74/42/1173377442.db2.gz PSPOUECIWHOTNZ-QWHCGFSZSA-N 1 3 307.398 0.365 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@H]1C[NH3+] ZINC001650172850 1173497227 /nfs/dbraw/zinc/49/72/27/1173497227.db2.gz KMJMLUPOFYIBPL-IJEWVQPXSA-N 1 3 324.469 0.866 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1(C2CC[NH2+]CC2)CC1 ZINC001650336837 1173575385 /nfs/dbraw/zinc/57/53/85/1173575385.db2.gz QRFQRSKXORBPRO-GJZGRUSLSA-N 1 3 307.438 0.746 20 0 DCADHO O=C([C@@H]1CCCCC12CC[NH2+]CC2)N1CCOC2(CNC2)C1 ZINC001650370623 1173598550 /nfs/dbraw/zinc/59/85/50/1173598550.db2.gz QIROIGIJIPSBLC-AWEZNQCLSA-N 1 3 307.438 0.747 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001650607638 1173724869 /nfs/dbraw/zinc/72/48/69/1173724869.db2.gz UXSQJMVDCIBHHA-BFHYXJOUSA-N 1 3 305.426 0.515 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001650607638 1173724875 /nfs/dbraw/zinc/72/48/75/1173724875.db2.gz UXSQJMVDCIBHHA-BFHYXJOUSA-N 1 3 305.426 0.515 20 0 DCADHO COCCOCCOCCCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001656311153 1173857798 /nfs/dbraw/zinc/85/77/98/1173857798.db2.gz LOUMVOOEHFTGFK-CVEARBPZSA-N 1 3 300.443 0.940 20 0 DCADHO COCCOCCOCCCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001656311153 1173857803 /nfs/dbraw/zinc/85/78/03/1173857803.db2.gz LOUMVOOEHFTGFK-CVEARBPZSA-N 1 3 300.443 0.940 20 0 DCADHO CN1C(=O)CC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1=O ZINC001660085348 1173940144 /nfs/dbraw/zinc/94/01/44/1173940144.db2.gz UJUZRJIEGQUBEO-UUCFBXCCSA-N 1 3 323.437 0.757 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214693 1174768716 /nfs/dbraw/zinc/76/87/16/1174768716.db2.gz NIBRZXLQXVWUOZ-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668214693 1174768721 /nfs/dbraw/zinc/76/87/21/1174768721.db2.gz NIBRZXLQXVWUOZ-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CCNCC(=O)N[C@H](C)C1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668644834 1174815859 /nfs/dbraw/zinc/81/58/59/1174815859.db2.gz HYKJNCCWWMLMMD-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNCC(=O)N[C@H](C)C1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668644834 1174815867 /nfs/dbraw/zinc/81/58/67/1174815867.db2.gz HYKJNCCWWMLMMD-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CCn2cccn2)CC1 ZINC001669108878 1174894942 /nfs/dbraw/zinc/89/49/42/1174894942.db2.gz UDRNJVOSZIQFGT-NSCUHMNNSA-N 1 3 319.453 0.877 20 0 DCADHO COCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001669664854 1174942003 /nfs/dbraw/zinc/94/20/03/1174942003.db2.gz NMSSQJTXJDGULL-SWLSCSKDSA-N 1 3 303.422 0.940 20 0 DCADHO CN(CCC[NH2+]CCO)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001670248355 1174995992 /nfs/dbraw/zinc/99/59/92/1174995992.db2.gz BLVKYAQUVRGPGK-HNNXBMFYSA-N 1 3 303.422 0.629 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)nn1C ZINC001670345446 1175005854 /nfs/dbraw/zinc/00/58/54/1175005854.db2.gz USBMSIIIFZGBJR-CQSZACIVSA-N 1 3 307.442 0.618 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001670345446 1175005860 /nfs/dbraw/zinc/00/58/60/1175005860.db2.gz USBMSIIIFZGBJR-CQSZACIVSA-N 1 3 307.442 0.618 20 0 DCADHO COCCOCCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001671692890 1175030558 /nfs/dbraw/zinc/03/05/58/1175030558.db2.gz FYNXQNHXPGAFPZ-ZBFHGGJFSA-N 1 3 313.442 0.182 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001673310361 1175189896 /nfs/dbraw/zinc/18/98/96/1175189896.db2.gz JKIJDEKGVBZDEV-DWFBKHCSSA-N 1 3 315.845 0.898 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCCN2CC(N)=O)CC[N@@H+]1C ZINC001690897348 1177344936 /nfs/dbraw/zinc/34/49/36/1177344936.db2.gz TVNOCILWMYEZCU-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCCN2CC(N)=O)CC[N@H+]1C ZINC001690897348 1177344944 /nfs/dbraw/zinc/34/49/44/1177344944.db2.gz TVNOCILWMYEZCU-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO NC(=O)CN1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001690902320 1177346911 /nfs/dbraw/zinc/34/69/11/1177346911.db2.gz SCJSHPODPYRFCA-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699048596 1177798520 /nfs/dbraw/zinc/79/85/20/1177798520.db2.gz SRAQNXOUGMCVFY-KBPBESRZSA-N 1 3 301.406 0.430 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001699048596 1177798527 /nfs/dbraw/zinc/79/85/27/1177798527.db2.gz SRAQNXOUGMCVFY-KBPBESRZSA-N 1 3 301.406 0.430 20 0 DCADHO O=C(NC[C@@H](O)CNC/C=C/Cl)C12CCC[NH+](CCC1)C2 ZINC001699050622 1177802826 /nfs/dbraw/zinc/80/28/26/1177802826.db2.gz IXRCNRIWBDMTSX-YIALFULDSA-N 1 3 315.845 0.682 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCCF)CCCCC1 ZINC001699056131 1177808010 /nfs/dbraw/zinc/80/80/10/1177808010.db2.gz OZRLBSTUWCUCQG-CYBMUJFWSA-N 1 3 303.422 0.535 20 0 DCADHO CCN(CC[NH2+]CCN1CCCC1=O)C(=O)C1(N(C)C)CCC1 ZINC001699185084 1177922098 /nfs/dbraw/zinc/92/20/98/1177922098.db2.gz VTAYTRFZAVYDNG-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001699308913 1178052301 /nfs/dbraw/zinc/05/23/01/1178052301.db2.gz OWDRPSXEJAINHD-LFAOLKIESA-N 1 3 320.437 0.488 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]CCOC)CCOCC1)N(C)C ZINC001700248987 1178553765 /nfs/dbraw/zinc/55/37/65/1178553765.db2.gz BQJHQOMXKFCPSQ-ZDUSSCGKSA-N 1 3 301.431 0.228 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCOCC(F)F)CN1C(=O)CN1CCCC1 ZINC001700854758 1178779131 /nfs/dbraw/zinc/77/91/31/1178779131.db2.gz UPQWZMUVGCIAAS-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+](C)C[C@H]1CCc2ncnn21)N(C)C ZINC001712983516 1180608882 /nfs/dbraw/zinc/60/88/82/1180608882.db2.gz DQCCRQSDLKHAJA-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+](C)C[C@H]1CCc2ncnn21)N(C)C ZINC001712983516 1180608884 /nfs/dbraw/zinc/60/88/84/1180608884.db2.gz DQCCRQSDLKHAJA-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCNC(=O)C3CC3)C2)CCC1 ZINC001713159738 1180703119 /nfs/dbraw/zinc/70/31/19/1180703119.db2.gz LUYYPUBNAAVSFT-HDJSIYSDSA-N 1 3 322.453 0.234 20 0 DCADHO Cn1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)cn1 ZINC000237035615 1180783670 /nfs/dbraw/zinc/78/36/70/1180783670.db2.gz VEYOQJNDEFZAFD-UHFFFAOYSA-N 1 3 300.410 0.857 20 0 DCADHO Cn1nncc1CN1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001713437748 1180820990 /nfs/dbraw/zinc/82/09/90/1180820990.db2.gz NAZAGZYNINHIGN-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001713602645 1180958890 /nfs/dbraw/zinc/95/88/90/1180958890.db2.gz UBBBFTPPPMQHEI-HNNXBMFYSA-N 1 3 309.458 0.863 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001713654397 1180999657 /nfs/dbraw/zinc/99/96/57/1180999657.db2.gz CPHPAMOCVMRAIZ-ZDUSSCGKSA-N 1 3 322.453 0.045 20 0 DCADHO CCC(C)(C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001713664455 1181007092 /nfs/dbraw/zinc/00/70/92/1181007092.db2.gz UHRNPCCIKLTMHI-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCC(C)(C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001713664455 1181007095 /nfs/dbraw/zinc/00/70/95/1181007095.db2.gz UHRNPCCIKLTMHI-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)N1CCC1 ZINC001713694941 1181018826 /nfs/dbraw/zinc/01/88/26/1181018826.db2.gz AFUPYMJLODHELZ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)N1CCC1 ZINC001713694941 1181018833 /nfs/dbraw/zinc/01/88/33/1181018833.db2.gz AFUPYMJLODHELZ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001714882131 1181583292 /nfs/dbraw/zinc/58/32/92/1181583292.db2.gz GUMWDBKIOJLHOO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001715702226 1181948491 /nfs/dbraw/zinc/94/84/91/1181948491.db2.gz WIENUCZZIIKTMH-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001715840908 1182043024 /nfs/dbraw/zinc/04/30/24/1182043024.db2.gz JLHBHMBACUJHOG-KOABKASLSA-N 1 3 310.442 0.243 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001715840908 1182043030 /nfs/dbraw/zinc/04/30/30/1182043030.db2.gz JLHBHMBACUJHOG-KOABKASLSA-N 1 3 310.442 0.243 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001715899039 1182087726 /nfs/dbraw/zinc/08/77/26/1182087726.db2.gz ZSJDNYPKKQGROU-ZRMMWKCHSA-N 1 3 320.437 0.011 20 0 DCADHO CCN(CCNCC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716253893 1182280207 /nfs/dbraw/zinc/28/02/07/1182280207.db2.gz MCCXPQKTLWIAEA-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNCC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716253893 1182280211 /nfs/dbraw/zinc/28/02/11/1182280211.db2.gz MCCXPQKTLWIAEA-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001716412741 1182379939 /nfs/dbraw/zinc/37/99/39/1182379939.db2.gz NRCUBJPJFWYGNI-ZIAGYGMSSA-N 1 3 307.442 0.399 20 0 DCADHO Cn1nccc1C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001717110069 1182680566 /nfs/dbraw/zinc/68/05/66/1182680566.db2.gz RAUGDBLOJOPNCV-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO COCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001717180254 1182714727 /nfs/dbraw/zinc/71/47/27/1182714727.db2.gz SIBUOFILUCBCPJ-AWEZNQCLSA-N 1 3 310.398 0.196 20 0 DCADHO CN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)Cc1c[nH]cn1 ZINC001720510556 1183634521 /nfs/dbraw/zinc/63/45/21/1183634521.db2.gz MIBWCXNATJZTOA-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001722990105 1184241990 /nfs/dbraw/zinc/24/19/90/1184241990.db2.gz ITUXNWDZENCLDD-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001724751655 1184542882 /nfs/dbraw/zinc/54/28/82/1184542882.db2.gz SYORJEQFHYZLFM-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725389398 1184799096 /nfs/dbraw/zinc/79/90/96/1184799096.db2.gz SKZYADVILDHGLL-GZBFAFLISA-N 1 3 322.457 0.530 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001725389398 1184799108 /nfs/dbraw/zinc/79/91/08/1184799108.db2.gz SKZYADVILDHGLL-GZBFAFLISA-N 1 3 322.457 0.530 20 0 DCADHO C[C@@H](CCC[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001725410847 1184809893 /nfs/dbraw/zinc/80/98/93/1184809893.db2.gz AAODNVWAFOMAHQ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001725587458 1184900078 /nfs/dbraw/zinc/90/00/78/1184900078.db2.gz IBISEHJPORQIHX-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001753260306 1185189771 /nfs/dbraw/zinc/18/97/71/1185189771.db2.gz GNBOBXOAAADSRS-AWEZNQCLSA-N 1 3 306.410 0.590 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001753260306 1185189775 /nfs/dbraw/zinc/18/97/75/1185189775.db2.gz GNBOBXOAAADSRS-AWEZNQCLSA-N 1 3 306.410 0.590 20 0 DCADHO Cc1noc(CCC[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001731617826 1185412887 /nfs/dbraw/zinc/41/28/87/1185412887.db2.gz MYSJLUJJIFZUFG-CHWSQXEVSA-N 1 3 323.441 0.747 20 0 DCADHO COc1cc(CNCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)on1 ZINC001732748568 1185948726 /nfs/dbraw/zinc/94/87/26/1185948726.db2.gz YMOPLJYWFNARAO-GFCCVEGCSA-N 1 3 322.409 0.763 20 0 DCADHO CCN(CC[NH2+]CCNC(=O)C1CC1)C(=O)[C@@H]1CCCN1C ZINC001732766599 1185956347 /nfs/dbraw/zinc/95/63/47/1185956347.db2.gz GTRDHWPVVHYLHY-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001732793768 1185971255 /nfs/dbraw/zinc/97/12/55/1185971255.db2.gz IQYSLJZVMSPMAL-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001732933717 1186067364 /nfs/dbraw/zinc/06/73/64/1186067364.db2.gz LUGXVQJXMVKVFC-ABCZVMIZSA-N 1 3 318.421 0.804 20 0 DCADHO COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001732933717 1186067367 /nfs/dbraw/zinc/06/73/67/1186067367.db2.gz LUGXVQJXMVKVFC-ABCZVMIZSA-N 1 3 318.421 0.804 20 0 DCADHO CCCCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001732977406 1186089517 /nfs/dbraw/zinc/08/95/17/1186089517.db2.gz CQCVBMAGJQQMDJ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCCNCc2cnnn2C)CC[N@@H+]1C ZINC001733121028 1186148683 /nfs/dbraw/zinc/14/86/83/1186148683.db2.gz BHKBYSDTXLJEQL-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCCNCc2cnnn2C)CC[N@H+]1C ZINC001733121028 1186148687 /nfs/dbraw/zinc/14/86/87/1186148687.db2.gz BHKBYSDTXLJEQL-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNCc2ccsc2)C1 ZINC001733631422 1186382969 /nfs/dbraw/zinc/38/29/69/1186382969.db2.gz SVSREXRWSHJACW-CQSZACIVSA-N 1 3 311.451 0.610 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNCc2ccsc2)C1 ZINC001733631422 1186382972 /nfs/dbraw/zinc/38/29/72/1186382972.db2.gz SVSREXRWSHJACW-CQSZACIVSA-N 1 3 311.451 0.610 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001742417932 1187979333 /nfs/dbraw/zinc/97/93/33/1187979333.db2.gz LBCHDBVKMOPCQG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC001742418347 1187979489 /nfs/dbraw/zinc/97/94/89/1187979489.db2.gz VUKFMEVCKOETRL-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753202623 1188534051 /nfs/dbraw/zinc/53/40/51/1188534051.db2.gz NVKUJUAQSPOFGK-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753202623 1188534052 /nfs/dbraw/zinc/53/40/52/1188534052.db2.gz NVKUJUAQSPOFGK-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)n1 ZINC001753715215 1188646048 /nfs/dbraw/zinc/64/60/48/1188646048.db2.gz SBSZFVVXZGOPQZ-LLVKDONJSA-N 1 3 319.413 0.297 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001754163782 1188765424 /nfs/dbraw/zinc/76/54/24/1188765424.db2.gz NYJPJZUUKKGSLA-DHCBQETCSA-N 1 3 322.453 0.257 20 0 DCADHO CN(CCC[NH2+]CC(N)=O)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001754395939 1188844063 /nfs/dbraw/zinc/84/40/63/1188844063.db2.gz VGLXLFYAIODCAZ-HNNXBMFYSA-N 1 3 316.421 0.122 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001754395519 1188844231 /nfs/dbraw/zinc/84/42/31/1188844231.db2.gz GUOBPNGHUQVSCE-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCNC(=O)C1CC1 ZINC001755591451 1189154607 /nfs/dbraw/zinc/15/46/07/1189154607.db2.gz YSBPFAWPMINDBF-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C)C(N)=O ZINC001755762458 1189203396 /nfs/dbraw/zinc/20/33/96/1189203396.db2.gz CTZIFRLNWDBPAF-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001758035200 1189690745 /nfs/dbraw/zinc/69/07/45/1189690745.db2.gz NFTZNSZXUNLXFB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001758035200 1189690748 /nfs/dbraw/zinc/69/07/48/1189690748.db2.gz NFTZNSZXUNLXFB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001771782628 1190497294 /nfs/dbraw/zinc/49/72/94/1190497294.db2.gz BDPULDLOTQNLSZ-FGWVZKOKSA-N 1 3 305.382 0.178 20 0 DCADHO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1OCC(N)=O ZINC001771912047 1190552098 /nfs/dbraw/zinc/55/20/98/1190552098.db2.gz XDTACZDUXCKRAK-STQMWFEESA-N 1 3 307.394 0.919 20 0 DCADHO COc1ccc([C@@H](CNC(=O)C[C@@H](O)C[NH3+])N2CCCC2)cc1 ZINC001772219288 1190633277 /nfs/dbraw/zinc/63/32/77/1190633277.db2.gz NUNJEHJYQKYQQJ-GDBMZVCRSA-N 1 3 321.421 0.658 20 0 DCADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](N)C(C)(C)O)CC1 ZINC001772226607 1190635347 /nfs/dbraw/zinc/63/53/47/1190635347.db2.gz KBTUJHTVSZRFMC-CYBMUJFWSA-N 1 3 301.431 0.090 20 0 DCADHO C[C@@H]1NCCN(C(=O)c2cnn3cc(CC[NH3+])cnc23)[C@H]1C ZINC001772227255 1190636399 /nfs/dbraw/zinc/63/63/99/1190636399.db2.gz QWHTUKFIVHGBQX-QWRGUYRKSA-N 1 3 302.382 0.053 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC001772235438 1190638954 /nfs/dbraw/zinc/63/89/54/1190638954.db2.gz WEENZIGXCSEXSO-UKRRQHHQSA-N 1 3 308.426 0.188 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001772244869 1190641351 /nfs/dbraw/zinc/64/13/51/1190641351.db2.gz AKEFEBLKINFOIH-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001772244869 1190641353 /nfs/dbraw/zinc/64/13/53/1190641353.db2.gz AKEFEBLKINFOIH-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)CNC[C@H]1CCCO1)c1cccnc1 ZINC001772273563 1190650483 /nfs/dbraw/zinc/65/04/83/1190650483.db2.gz BJCRAOWSBBLQHF-CVEARBPZSA-N 1 3 320.437 0.959 20 0 DCADHO O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001772315343 1190661231 /nfs/dbraw/zinc/66/12/31/1190661231.db2.gz GDVKZICHKAMIMW-CVEARBPZSA-N 1 3 309.454 0.824 20 0 DCADHO Clc1cc(N2CCN3CC[NH2+]C[C@@H]3C2)c2c(n1)CNCC2 ZINC001164408008 718838307 /nfs/dbraw/zinc/83/83/07/718838307.db2.gz XHGKXXRMXRTTLL-LLVKDONJSA-N 1 3 307.829 0.475 20 0 DCADHO CN(Cc1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1)C1CC1 ZINC001164407336 718840899 /nfs/dbraw/zinc/84/08/99/718840899.db2.gz VDAUICWVZJYHET-MRXNPFEDSA-N 1 3 301.438 0.770 20 0 DCADHO c1cc(N2CCN(C3CCCC3)CC2)nnc1N1CC[NH2+]CC1 ZINC001165029304 721853886 /nfs/dbraw/zinc/85/38/86/721853886.db2.gz JNKLRDZCKYSMAS-UHFFFAOYSA-N 1 3 316.453 0.951 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466488 751406758 /nfs/dbraw/zinc/40/67/58/751406758.db2.gz MPAANNDYKCHFNI-UKRRQHHQSA-N 1 3 324.469 0.195 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001127474187 751411661 /nfs/dbraw/zinc/41/16/61/751411661.db2.gz IPUGCEHYSQKZAA-INIZCTEOSA-N 1 3 302.422 0.938 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC001203455201 751504800 /nfs/dbraw/zinc/50/48/00/751504800.db2.gz DNQJYPMZFXGCGJ-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC001578644374 1165075715 /nfs/dbraw/zinc/07/57/15/1165075715.db2.gz HWAVAARWLXZQGI-SMDDNHRTSA-N 1 3 309.410 0.912 20 0 DCADHO O=C(NCCNCc1cncc(F)c1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779916 752066263 /nfs/dbraw/zinc/06/62/63/752066263.db2.gz SVFYQYZFLAZULN-GJZGRUSLSA-N 1 3 322.384 0.290 20 0 DCADHO O=C(NCCNCc1cncc(F)c1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779916 752066270 /nfs/dbraw/zinc/06/62/70/752066270.db2.gz SVFYQYZFLAZULN-GJZGRUSLSA-N 1 3 322.384 0.290 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CC(NCc2n[nH]c(C3CC3)n2)C1 ZINC001100637501 747506694 /nfs/dbraw/zinc/50/66/94/747506694.db2.gz UTOLFYCRKQHCAH-UHFFFAOYSA-N 1 3 320.441 0.618 20 0 DCADHO CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001104731987 747844843 /nfs/dbraw/zinc/84/48/43/747844843.db2.gz HNPSNSGHNMBUHU-BZPMIXESSA-N 1 3 321.425 0.290 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220061986 747922560 /nfs/dbraw/zinc/92/25/60/747922560.db2.gz HWYUDQAUONQVBQ-QAJFTPDKSA-N 1 3 303.472 0.463 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220061986 747922564 /nfs/dbraw/zinc/92/25/64/747922564.db2.gz HWYUDQAUONQVBQ-QAJFTPDKSA-N 1 3 303.472 0.463 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001105064344 748018928 /nfs/dbraw/zinc/01/89/28/748018928.db2.gz KNAQUKQPCCDLMY-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001105315516 748124236 /nfs/dbraw/zinc/12/42/36/748124236.db2.gz RAMXCTDPSFXTNS-UHFFFAOYSA-N 1 3 320.441 0.503 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)C1 ZINC001112530012 748318852 /nfs/dbraw/zinc/31/88/52/748318852.db2.gz ZCDLBSOMNTZUCH-BQFCYCMXSA-N 1 3 323.481 0.929 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086558864 761931924 /nfs/dbraw/zinc/93/19/24/761931924.db2.gz XWKOQAXAWSRVPH-SYQHCUMBSA-N 1 3 310.442 0.219 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001088380603 749410979 /nfs/dbraw/zinc/41/09/79/749410979.db2.gz LTMJSZLMHQESTE-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088382667 749412587 /nfs/dbraw/zinc/41/25/87/749412587.db2.gz ISQYZRFTHZMRMS-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001168346184 749926952 /nfs/dbraw/zinc/92/69/52/749926952.db2.gz WHTNPNYSEFSPDJ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001101035795 749980458 /nfs/dbraw/zinc/98/04/58/749980458.db2.gz ADOYXNDBGLCVIW-YMAMQOFZSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1C ZINC001102475246 750014280 /nfs/dbraw/zinc/01/42/80/750014280.db2.gz FWQLBXZSUCGGMS-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001102475246 750014287 /nfs/dbraw/zinc/01/42/87/750014287.db2.gz FWQLBXZSUCGGMS-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518778 750087350 /nfs/dbraw/zinc/08/73/50/750087350.db2.gz PVLFUKGDFFRSHN-OAGGEKHMSA-N 1 3 311.470 0.782 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518778 750087354 /nfs/dbraw/zinc/08/73/54/750087354.db2.gz PVLFUKGDFFRSHN-OAGGEKHMSA-N 1 3 311.470 0.782 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127942 750214073 /nfs/dbraw/zinc/21/40/73/750214073.db2.gz PVLFUKGDFFRSHN-BZUAXINKSA-N 1 3 311.470 0.782 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127942 750214079 /nfs/dbraw/zinc/21/40/79/750214079.db2.gz PVLFUKGDFFRSHN-BZUAXINKSA-N 1 3 311.470 0.782 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001077131571 750217116 /nfs/dbraw/zinc/21/71/16/750217116.db2.gz GUVYXVJIYPTCCO-BRWVUGGUSA-N 1 3 321.465 0.965 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001077131571 750217121 /nfs/dbraw/zinc/21/71/21/750217121.db2.gz GUVYXVJIYPTCCO-BRWVUGGUSA-N 1 3 321.465 0.965 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1CCn1cccn1 ZINC001088980931 750753853 /nfs/dbraw/zinc/75/38/53/750753853.db2.gz WXBBKLRWMJERMQ-PMPSAXMXSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1CCn1cccn1 ZINC001088980931 750753859 /nfs/dbraw/zinc/75/38/59/750753859.db2.gz WXBBKLRWMJERMQ-PMPSAXMXSA-N 1 3 319.453 0.804 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254636 750929209 /nfs/dbraw/zinc/92/92/09/750929209.db2.gz GBSNQSNRRYYOIM-ZIAGYGMSSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254636 750929210 /nfs/dbraw/zinc/92/92/10/750929210.db2.gz GBSNQSNRRYYOIM-ZIAGYGMSSA-N 1 3 305.426 0.500 20 0 DCADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001106627181 751208789 /nfs/dbraw/zinc/20/87/89/751208789.db2.gz WEMCJRNSAPYBMN-HZSPNIEDSA-N 1 3 322.457 0.512 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C ZINC001078084827 753028969 /nfs/dbraw/zinc/02/89/69/753028969.db2.gz LCZWDDILRSVECK-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2cncn2C)CCC1 ZINC001045067387 753030997 /nfs/dbraw/zinc/03/09/97/753030997.db2.gz PMOYRGFGWHIGQW-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045126706 753054241 /nfs/dbraw/zinc/05/42/41/753054241.db2.gz ANMMPQXWWRVRKL-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCc2cnnn2C)C1 ZINC001045200110 753087553 /nfs/dbraw/zinc/08/75/53/753087553.db2.gz MJPIKTUVOTWHIM-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCc2cnnn2C)C1 ZINC001045200110 753087556 /nfs/dbraw/zinc/08/75/56/753087556.db2.gz MJPIKTUVOTWHIM-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CNCc1ccnn1C ZINC001045201221 753088586 /nfs/dbraw/zinc/08/85/86/753088586.db2.gz YDMLGOQNNFBWQV-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CNCc1ccnn1C ZINC001045201221 753088593 /nfs/dbraw/zinc/08/85/93/753088593.db2.gz YDMLGOQNNFBWQV-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C ZINC001045201221 753088600 /nfs/dbraw/zinc/08/86/00/753088600.db2.gz YDMLGOQNNFBWQV-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046061459 753456464 /nfs/dbraw/zinc/45/64/64/753456464.db2.gz MFWXLZFUFQPPRQ-JKSUJKDBSA-N 1 3 310.486 0.811 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046061459 753456465 /nfs/dbraw/zinc/45/64/65/753456465.db2.gz MFWXLZFUFQPPRQ-JKSUJKDBSA-N 1 3 310.486 0.811 20 0 DCADHO C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCn2cccn2)C1 ZINC001046777894 753942035 /nfs/dbraw/zinc/94/20/35/753942035.db2.gz YQRLVSRHTYOTTM-MRXNPFEDSA-N 1 3 317.437 0.560 20 0 DCADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046831220 753966606 /nfs/dbraw/zinc/96/66/06/753966606.db2.gz HSJXOJOKECJPGD-YOEHRIQHSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046831220 753966611 /nfs/dbraw/zinc/96/66/11/753966611.db2.gz HSJXOJOKECJPGD-YOEHRIQHSA-N 1 3 319.453 0.495 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001046831160 753966789 /nfs/dbraw/zinc/96/67/89/753966789.db2.gz GSUXWRTXZAMGPJ-ZBFHGGJFSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001046831160 753966793 /nfs/dbraw/zinc/96/67/93/753966793.db2.gz GSUXWRTXZAMGPJ-ZBFHGGJFSA-N 1 3 305.426 0.415 20 0 DCADHO N[C@H]1CN(C(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)C[C@H]1F ZINC001157536493 762270152 /nfs/dbraw/zinc/27/01/52/762270152.db2.gz NVHFVWSZLDCMJT-BIMULSAOSA-N 1 3 301.312 0.732 20 0 DCADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047381031 754227807 /nfs/dbraw/zinc/22/78/07/754227807.db2.gz DSFNPWCJUADUOV-ILXRZTDVSA-N 1 3 313.417 0.191 20 0 DCADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001047636448 754451580 /nfs/dbraw/zinc/45/15/80/754451580.db2.gz NCFUCSBVBQAQKM-HOTGVXAUSA-N 1 3 305.422 0.885 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)CCN2CCN(C)CC2)[C@@H](C)C1 ZINC001143238430 754512654 /nfs/dbraw/zinc/51/26/54/754512654.db2.gz UOCSPNIFHNCZKF-HOTGVXAUSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)[N@H+]1CC[C@H](NC(=O)CCN2CCN(C)CC2)[C@@H](C)C1 ZINC001143238430 754512660 /nfs/dbraw/zinc/51/26/60/754512660.db2.gz UOCSPNIFHNCZKF-HOTGVXAUSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204517 754557109 /nfs/dbraw/zinc/55/71/09/754557109.db2.gz HEOOHLOHXRRMMC-CABCVRRESA-N 1 3 322.457 0.617 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC2CCC2)C[C@@H]1n1ccnn1 ZINC001129220344 754571966 /nfs/dbraw/zinc/57/19/66/754571966.db2.gz VSGXIIBDMZGJFQ-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048061326 754597322 /nfs/dbraw/zinc/59/73/22/754597322.db2.gz BFYUGJZAATXUMH-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829687 754965251 /nfs/dbraw/zinc/96/52/51/754965251.db2.gz YTZBONXPWSEHSF-XUWVNRHRSA-N 1 3 307.438 0.650 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829687 754965255 /nfs/dbraw/zinc/96/52/55/754965255.db2.gz YTZBONXPWSEHSF-XUWVNRHRSA-N 1 3 307.438 0.650 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1)N(C)C ZINC001049067007 755100990 /nfs/dbraw/zinc/10/09/90/755100990.db2.gz PJLMRWJNRFHMPI-ZNMIVQPWSA-N 1 3 320.441 0.009 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1)N(C)C ZINC001049067007 755100996 /nfs/dbraw/zinc/10/09/96/755100996.db2.gz PJLMRWJNRFHMPI-ZNMIVQPWSA-N 1 3 320.441 0.009 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1)N(C)C ZINC001049066424 755101050 /nfs/dbraw/zinc/10/10/50/755101050.db2.gz HGHCVRMYIBBULL-KBXIAJHMSA-N 1 3 324.469 0.194 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1)N(C)C ZINC001049066424 755101056 /nfs/dbraw/zinc/10/10/56/755101056.db2.gz HGHCVRMYIBBULL-KBXIAJHMSA-N 1 3 324.469 0.194 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)COCC(C)C ZINC001168763277 755135950 /nfs/dbraw/zinc/13/59/50/755135950.db2.gz MVBKLYXUILHSLH-OAHLLOKOSA-N 1 3 317.474 0.458 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049130911 755137196 /nfs/dbraw/zinc/13/71/96/755137196.db2.gz ANVRIKIGWNKUHO-HRCADAONSA-N 1 3 309.454 0.489 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049130911 755137197 /nfs/dbraw/zinc/13/71/97/755137197.db2.gz ANVRIKIGWNKUHO-HRCADAONSA-N 1 3 309.454 0.489 20 0 DCADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097095884 755595671 /nfs/dbraw/zinc/59/56/71/755595671.db2.gz YCOHSAFHDRCKSU-YUELXQCFSA-N 1 3 305.426 0.800 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052869271 755847864 /nfs/dbraw/zinc/84/78/64/755847864.db2.gz CFWFQQOSWVLRRM-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052872239 755849350 /nfs/dbraw/zinc/84/93/50/755849350.db2.gz YYRODUHKNODZDX-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001079803905 756013104 /nfs/dbraw/zinc/01/31/04/756013104.db2.gz NHYHHCSJFMQZSO-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001079803905 756013106 /nfs/dbraw/zinc/01/31/06/756013106.db2.gz NHYHHCSJFMQZSO-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC001081000092 756411980 /nfs/dbraw/zinc/41/19/80/756411980.db2.gz XTEDEGBPDHBVDL-CZUORRHYSA-N 1 3 305.422 0.791 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001082748439 757240579 /nfs/dbraw/zinc/24/05/79/757240579.db2.gz LZTVGAXREWYFIM-MCIONIFRSA-N 1 3 308.430 0.055 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)CC1 ZINC001083182715 757560476 /nfs/dbraw/zinc/56/04/76/757560476.db2.gz UGZPWPBPOHPFSS-JKSUJKDBSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084422403 757821718 /nfs/dbraw/zinc/82/17/18/757821718.db2.gz XPIVJYQESRKALJ-OWCLPIDISA-N 1 3 309.454 0.776 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084422403 757821738 /nfs/dbraw/zinc/82/17/38/757821738.db2.gz XPIVJYQESRKALJ-OWCLPIDISA-N 1 3 309.454 0.776 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085421881 758864229 /nfs/dbraw/zinc/86/42/29/758864229.db2.gz AHLNSVRSBBXRBE-FVQBIDKESA-N 1 3 319.453 0.889 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085421881 758864239 /nfs/dbraw/zinc/86/42/39/758864239.db2.gz AHLNSVRSBBXRBE-FVQBIDKESA-N 1 3 319.453 0.889 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001051930185 759041511 /nfs/dbraw/zinc/04/15/11/759041511.db2.gz JTTOHSOUKCBAOP-CVEARBPZSA-N 1 3 318.421 0.350 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001051930185 759041521 /nfs/dbraw/zinc/04/15/21/759041521.db2.gz JTTOHSOUKCBAOP-CVEARBPZSA-N 1 3 318.421 0.350 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001052081647 759165949 /nfs/dbraw/zinc/16/59/49/759165949.db2.gz DHKYIFKAKLMUNT-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001147886063 767863252 /nfs/dbraw/zinc/86/32/52/767863252.db2.gz SIRMRPZPIZEJMY-AWEZNQCLSA-N 1 3 318.421 0.333 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001147886063 767863259 /nfs/dbraw/zinc/86/32/59/767863259.db2.gz SIRMRPZPIZEJMY-AWEZNQCLSA-N 1 3 318.421 0.333 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086271978 759932263 /nfs/dbraw/zinc/93/22/63/759932263.db2.gz QILNAZTXOBJPPQ-KFWWJZLASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086271978 759932271 /nfs/dbraw/zinc/93/22/71/759932271.db2.gz QILNAZTXOBJPPQ-KFWWJZLASA-N 1 3 317.437 0.721 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cnnn3C)C2)CC[N@@H+]1C ZINC001086370829 760110152 /nfs/dbraw/zinc/11/01/52/760110152.db2.gz AYJKJXPHEYUBMJ-RGCMKSIDSA-N 1 3 320.441 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3cnnn3C)C2)CC[N@H+]1C ZINC001086370829 760110156 /nfs/dbraw/zinc/11/01/56/760110156.db2.gz AYJKJXPHEYUBMJ-RGCMKSIDSA-N 1 3 320.441 0.140 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001100084142 760189309 /nfs/dbraw/zinc/18/93/09/760189309.db2.gz XWGISINWLWOAQP-UONOGXRCSA-N 1 3 303.422 0.629 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001100084142 760189313 /nfs/dbraw/zinc/18/93/13/760189313.db2.gz XWGISINWLWOAQP-UONOGXRCSA-N 1 3 303.422 0.629 20 0 DCADHO c1nc(CNc2ccc3c(n2)OCCNC3)c2n1CCC[NH2+]C2 ZINC001169241362 760611465 /nfs/dbraw/zinc/61/14/65/760611465.db2.gz QRDSESBZJDKBRO-UHFFFAOYSA-N 1 3 314.393 0.866 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148364839 767973835 /nfs/dbraw/zinc/97/38/35/767973835.db2.gz DLYUJTFZXQZXNB-CQSZACIVSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097319 761083368 /nfs/dbraw/zinc/08/33/68/761083368.db2.gz MBOVKAOASWETKL-ZNMIVQPWSA-N 1 3 320.441 0.227 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097319 761083376 /nfs/dbraw/zinc/08/33/76/761083376.db2.gz MBOVKAOASWETKL-ZNMIVQPWSA-N 1 3 320.441 0.227 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070209226 761136693 /nfs/dbraw/zinc/13/66/93/761136693.db2.gz SFMLTMGDDRMRQG-KGLIPLIRSA-N 1 3 320.441 0.512 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)CC ZINC001148570624 768011118 /nfs/dbraw/zinc/01/11/18/768011118.db2.gz ISTXFNQSECZSQF-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)CC ZINC001148570624 768011124 /nfs/dbraw/zinc/01/11/24/768011124.db2.gz ISTXFNQSECZSQF-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001148641982 768021994 /nfs/dbraw/zinc/02/19/94/768021994.db2.gz AWPWWMSILFESBI-CQSZACIVSA-N 1 3 301.431 0.230 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001148643165 768022595 /nfs/dbraw/zinc/02/25/95/768022595.db2.gz SOMWDNWAKJZKRV-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001148656106 768024840 /nfs/dbraw/zinc/02/48/40/768024840.db2.gz VKQJBMPLJLGLBC-HNNXBMFYSA-N 1 3 311.401 0.907 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC001148655571 768024998 /nfs/dbraw/zinc/02/49/98/768024998.db2.gz OUJNQCDRIODVHE-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCCOC)C[C@@H]1O ZINC001099895172 768032452 /nfs/dbraw/zinc/03/24/52/768032452.db2.gz VOHGTADAEAMRQT-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001099895172 768032454 /nfs/dbraw/zinc/03/24/54/768032454.db2.gz VOHGTADAEAMRQT-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CO[C@H](C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977735 761626970 /nfs/dbraw/zinc/62/69/70/761626970.db2.gz XFNZBYPKXVRPGG-KBXIAJHMSA-N 1 3 313.442 0.321 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112585927 761704181 /nfs/dbraw/zinc/70/41/81/761704181.db2.gz ZVBHLFGRIUCUKY-RDJZCZTQSA-N 1 3 311.470 0.927 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435138 762942149 /nfs/dbraw/zinc/94/21/49/762942149.db2.gz BVTQEIIUTSVTKL-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CC2(CN1C(=O)Cc1c[nH]cn1)CC[NH+](CCO)CC2 ZINC001086945881 768098846 /nfs/dbraw/zinc/09/88/46/768098846.db2.gz KYFWTWPXXPRJRE-CYBMUJFWSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001129846230 763022853 /nfs/dbraw/zinc/02/28/53/763022853.db2.gz OCHDKADRFZHCDY-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001129846230 763022862 /nfs/dbraw/zinc/02/28/62/763022862.db2.gz OCHDKADRFZHCDY-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1)N(C)C ZINC001129949680 763055185 /nfs/dbraw/zinc/05/51/85/763055185.db2.gz HMGXOWBYLJKVQK-CABCVRRESA-N 1 3 315.458 0.474 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@@H]2O)CCC1 ZINC001099872477 763089147 /nfs/dbraw/zinc/08/91/47/763089147.db2.gz UXIQLSOMEBVNPG-GJZGRUSLSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C[C@@H]2O)CCC1 ZINC001099872477 763089153 /nfs/dbraw/zinc/08/91/53/763089153.db2.gz UXIQLSOMEBVNPG-GJZGRUSLSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001130173719 763162025 /nfs/dbraw/zinc/16/20/25/763162025.db2.gz LVMZGAUSEAHOTR-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc2c(c1)nnn2C)N(C)C ZINC001130197973 763172799 /nfs/dbraw/zinc/17/27/99/763172799.db2.gz UBWDLYOYNYMPDI-CQSZACIVSA-N 1 3 318.425 0.514 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001130205601 763178010 /nfs/dbraw/zinc/17/80/10/763178010.db2.gz QCXSUGYGBWZRCY-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1)N(C)C ZINC001130205801 763179514 /nfs/dbraw/zinc/17/95/14/763179514.db2.gz WYNZLNXWWHHXSY-LSDHHAIUSA-N 1 3 315.458 0.618 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130200863 763185180 /nfs/dbraw/zinc/18/51/80/763185180.db2.gz OWKIKRZGBFIVES-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1O ZINC001100081079 763290882 /nfs/dbraw/zinc/29/08/82/763290882.db2.gz PAMLRFOZCFOBEX-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1O ZINC001100081079 763290890 /nfs/dbraw/zinc/29/08/90/763290890.db2.gz PAMLRFOZCFOBEX-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N(C)C(C)C ZINC001130419391 763306199 /nfs/dbraw/zinc/30/61/99/763306199.db2.gz YRODYDBTXBFWKX-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N(C)C(C)C ZINC001130419391 763306208 /nfs/dbraw/zinc/30/62/08/763306208.db2.gz YRODYDBTXBFWKX-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130418884 763306511 /nfs/dbraw/zinc/30/65/11/763306511.db2.gz AZDJYOIPEUXTSH-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130418884 763306520 /nfs/dbraw/zinc/30/65/20/763306520.db2.gz AZDJYOIPEUXTSH-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622641 763404369 /nfs/dbraw/zinc/40/43/69/763404369.db2.gz SNKKQGPKJIDCIV-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622641 763404379 /nfs/dbraw/zinc/40/43/79/763404379.db2.gz SNKKQGPKJIDCIV-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001130711604 763451265 /nfs/dbraw/zinc/45/12/65/763451265.db2.gz XIXZUIHKSBHSEK-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001130711604 763451268 /nfs/dbraw/zinc/45/12/68/763451268.db2.gz XIXZUIHKSBHSEK-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO [NH3+]CCOCCOCCNc1ccc2c(c1)COC21CNC1 ZINC001170513121 763488787 /nfs/dbraw/zinc/48/87/87/763488787.db2.gz UIIHJWKQNJQIKG-UHFFFAOYSA-N 1 3 307.394 0.419 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001100426457 763571706 /nfs/dbraw/zinc/57/17/06/763571706.db2.gz JDDKNIMZNZJGHJ-XUJLQICISA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001100444293 763582088 /nfs/dbraw/zinc/58/20/88/763582088.db2.gz DAQNIAXGMWDZIY-JXQTWKCFSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCn2cncn2)C1)N(C)C ZINC001100684967 763722767 /nfs/dbraw/zinc/72/27/67/763722767.db2.gz TXRAKSJQFBMIPU-RUXDESIVSA-N 1 3 308.430 0.103 20 0 DCADHO C[C@@H](Nc1ccnc(N2CCC([NH3+])CC2)n1)[C@H]1CNCCO1 ZINC001170561604 763823703 /nfs/dbraw/zinc/82/37/03/763823703.db2.gz FSXADDLNNSTCRP-DGCLKSJQSA-N 1 3 306.414 0.193 20 0 DCADHO CSc1nc(N[C@@H](C)[C@@H]2CNCCO2)cc(C2C[NH2+]C2)n1 ZINC001170565677 763842854 /nfs/dbraw/zinc/84/28/54/763842854.db2.gz WBXUYQHJFYXQCW-CABZTGNLSA-N 1 3 309.439 0.674 20 0 DCADHO CC/C=C/CC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519836 763843752 /nfs/dbraw/zinc/84/37/52/763843752.db2.gz KQSNNCLOEJUANQ-YBXAITHYSA-N 1 3 307.438 0.912 20 0 DCADHO CC1(C)CC(C[NH2+]CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001131521763 763846979 /nfs/dbraw/zinc/84/69/79/763846979.db2.gz GEWLHKVFJUFFOB-SWKXRBFHSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCCO)C[C@@]3(C)C2)C1 ZINC001092012991 768182408 /nfs/dbraw/zinc/18/24/08/768182408.db2.gz FYNAMORSTNHSSQ-INMHGKMJSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCCO)C[C@@]3(C)C2)C1 ZINC001092012991 768182411 /nfs/dbraw/zinc/18/24/11/768182411.db2.gz FYNAMORSTNHSSQ-INMHGKMJSA-N 1 3 309.454 0.491 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790762 764014127 /nfs/dbraw/zinc/01/41/27/764014127.db2.gz VFUYEXZVWHHYFM-MRXNPFEDSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)N1CCCC1 ZINC001131786065 764031531 /nfs/dbraw/zinc/03/15/31/764031531.db2.gz DFQUEBRNPSIJNV-MRXNPFEDSA-N 1 3 322.453 0.189 20 0 DCADHO Cn1cc(CNCCNC(=O)CC2([NH+](C)C)CCCC2)cn1 ZINC001131835027 764069380 /nfs/dbraw/zinc/06/93/80/764069380.db2.gz LFPPTLSALVDCPY-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290546 764578951 /nfs/dbraw/zinc/57/89/51/764578951.db2.gz JDMFWBVKJUJIEK-MCIONIFRSA-N 1 3 324.469 0.276 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001132736476 764612597 /nfs/dbraw/zinc/61/25/97/764612597.db2.gz ASJVCFQKLWIQSJ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001132736476 764612605 /nfs/dbraw/zinc/61/26/05/764612605.db2.gz ASJVCFQKLWIQSJ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](CCO)CCCF)CC1)N(C)C ZINC001098480235 764656996 /nfs/dbraw/zinc/65/69/96/764656996.db2.gz WFYCSNXMOUAGTK-HNNXBMFYSA-N 1 3 317.449 0.972 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCO)CCCF)CC1)N(C)C ZINC001098480235 764657000 /nfs/dbraw/zinc/65/70/00/764657000.db2.gz WFYCSNXMOUAGTK-HNNXBMFYSA-N 1 3 317.449 0.972 20 0 DCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578127 764708840 /nfs/dbraw/zinc/70/88/40/764708840.db2.gz MMJIFASTJAMKOE-RBSFLKMASA-N 1 3 324.469 0.101 20 0 DCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578127 764708848 /nfs/dbraw/zinc/70/88/48/764708848.db2.gz MMJIFASTJAMKOE-RBSFLKMASA-N 1 3 324.469 0.101 20 0 DCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596372 764717991 /nfs/dbraw/zinc/71/79/91/764717991.db2.gz BYJHGUDNCGOXQE-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1ccn(C)n1 ZINC001133091727 764823458 /nfs/dbraw/zinc/82/34/58/764823458.db2.gz UWJBTMGWJKQNHC-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135270 764840434 /nfs/dbraw/zinc/84/04/34/764840434.db2.gz OKQQULPHMAHHDR-OLZOCXBDSA-N 1 3 321.425 0.163 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001133275521 764904582 /nfs/dbraw/zinc/90/45/82/764904582.db2.gz TXCPKPOXUIWHMI-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCC(C)CC1 ZINC001133291256 764909328 /nfs/dbraw/zinc/90/93/28/764909328.db2.gz NEABFIYQZRFHPK-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346374 764936281 /nfs/dbraw/zinc/93/62/81/764936281.db2.gz MAYUWWOSZSWSTJ-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001133415518 764955738 /nfs/dbraw/zinc/95/57/38/764955738.db2.gz BIDDXQZNBOTRSA-OAHLLOKOSA-N 1 3 308.426 0.177 20 0 DCADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438366 765056644 /nfs/dbraw/zinc/05/66/44/765056644.db2.gz DGACBMFFZNWMMS-ZIAGYGMSSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438366 765056651 /nfs/dbraw/zinc/05/66/51/765056651.db2.gz DGACBMFFZNWMMS-ZIAGYGMSSA-N 1 3 324.469 0.278 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)N(C)CC)[NH+](CC)CC ZINC001133685652 765093683 /nfs/dbraw/zinc/09/36/83/765093683.db2.gz YQIZXVWIKDBFHK-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCOCC(F)(F)F)C1 ZINC001133849662 765181415 /nfs/dbraw/zinc/18/14/15/765181415.db2.gz BMDZEISIHLCIBK-LLVKDONJSA-N 1 3 311.348 0.613 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN2CCC[C@@H]2C)n1 ZINC001133819583 765149679 /nfs/dbraw/zinc/14/96/79/765149679.db2.gz HXVSWWQWJXFMAN-LBPRGKRZSA-N 1 3 308.430 0.085 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001133846072 765179917 /nfs/dbraw/zinc/17/99/17/765179917.db2.gz SNEUUSPTCDQDNA-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001133846072 765179922 /nfs/dbraw/zinc/17/99/22/765179922.db2.gz SNEUUSPTCDQDNA-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CCCC1 ZINC001133849596 765181345 /nfs/dbraw/zinc/18/13/45/765181345.db2.gz AFIZBFUFGBNFJT-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CCCC1 ZINC001133849596 765181347 /nfs/dbraw/zinc/18/13/47/765181347.db2.gz AFIZBFUFGBNFJT-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133869525 765195446 /nfs/dbraw/zinc/19/54/46/765195446.db2.gz FYXUKDXOLRZXHV-WFASDCNBSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133869525 765195450 /nfs/dbraw/zinc/19/54/50/765195450.db2.gz FYXUKDXOLRZXHV-WFASDCNBSA-N 1 3 318.421 0.189 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001133896512 765215545 /nfs/dbraw/zinc/21/55/45/765215545.db2.gz LVKRBYRZWAMDMP-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133897100 765216407 /nfs/dbraw/zinc/21/64/07/765216407.db2.gz YWZSVQUMETXKKC-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1)N(C)C ZINC001133965791 765258809 /nfs/dbraw/zinc/25/88/09/765258809.db2.gz KASJKZVJMLGVRV-KBPBESRZSA-N 1 3 301.431 0.228 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001133982803 765270489 /nfs/dbraw/zinc/27/04/89/765270489.db2.gz NOXPNODUTIXLDY-AWEZNQCLSA-N 1 3 306.410 0.332 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)C1 ZINC001112206510 765474316 /nfs/dbraw/zinc/47/43/16/765474316.db2.gz SCFVDBSYANKRQJ-QJPTWQEYSA-N 1 3 323.359 0.299 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)C1 ZINC001112206510 765474319 /nfs/dbraw/zinc/47/43/19/765474319.db2.gz SCFVDBSYANKRQJ-QJPTWQEYSA-N 1 3 323.359 0.299 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001134370145 765501753 /nfs/dbraw/zinc/50/17/53/765501753.db2.gz XZGIYSDPEQLPHD-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583356 765580434 /nfs/dbraw/zinc/58/04/34/765580434.db2.gz JPRCMQPQBHZIQQ-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001134584349 765581371 /nfs/dbraw/zinc/58/13/71/765581371.db2.gz SLFQXBXWRRMHDC-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001134612168 765590660 /nfs/dbraw/zinc/59/06/60/765590660.db2.gz ISCJOCCNBCXVFF-QWHCGFSZSA-N 1 3 324.469 0.622 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780605 765671870 /nfs/dbraw/zinc/67/18/70/765671870.db2.gz NSVFUJNCZHZONS-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170772794 765679397 /nfs/dbraw/zinc/67/93/97/765679397.db2.gz DQBNRVLUJDSIRF-ZWNOBZJWSA-N 1 3 321.425 0.517 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)N1CCCCC1 ZINC001124867146 768317420 /nfs/dbraw/zinc/31/74/20/768317420.db2.gz SNQIWAPSPXYWFR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO COc1cncc(CN[C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001135371735 765907203 /nfs/dbraw/zinc/90/72/03/765907203.db2.gz ILAJWCNVFWHOPG-OLZOCXBDSA-N 1 3 323.441 0.810 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135478255 765949905 /nfs/dbraw/zinc/94/99/05/765949905.db2.gz YQRSOTMQROJBLE-OAHLLOKOSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001135475976 765950563 /nfs/dbraw/zinc/95/05/63/765950563.db2.gz HNPJPWPFJCWTCF-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086761676 766084619 /nfs/dbraw/zinc/08/46/19/766084619.db2.gz QBRCERMRUOULBA-FWPNWONVSA-N 1 3 307.438 0.744 20 0 DCADHO C[NH+]1CCC(OCC(=O)NCCNCc2cncc(F)c2)CC1 ZINC001135959582 766191941 /nfs/dbraw/zinc/19/19/41/766191941.db2.gz PYCSNMZQHQAPEJ-UHFFFAOYSA-N 1 3 324.400 0.537 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001135977585 766197453 /nfs/dbraw/zinc/19/74/53/766197453.db2.gz WDOHXZKYKAJDTJ-CHWSQXEVSA-N 1 3 321.487 0.246 20 0 DCADHO C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359801 766558256 /nfs/dbraw/zinc/55/82/56/766558256.db2.gz BCPHGPAMBCXDDJ-CQSZACIVSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359801 766558260 /nfs/dbraw/zinc/55/82/60/766558260.db2.gz BCPHGPAMBCXDDJ-CQSZACIVSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119353139 766642597 /nfs/dbraw/zinc/64/25/97/766642597.db2.gz XYRKGIWTYRCZCO-XJFOESAGSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])N(C)Cc1ccccc1 ZINC001119351572 766642653 /nfs/dbraw/zinc/64/26/53/766642653.db2.gz XBBJYPCIWFNLRM-UONOGXRCSA-N 1 3 320.437 0.477 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001160426847 766706860 /nfs/dbraw/zinc/70/68/60/766706860.db2.gz JPJBYCKIXRMUQS-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161896 766864344 /nfs/dbraw/zinc/86/43/44/766864344.db2.gz RDKZQMUBCKHNCH-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160706040 767039059 /nfs/dbraw/zinc/03/90/59/767039059.db2.gz VTIPEBYMNLPDPH-WDEREUQCSA-N 1 3 321.343 0.650 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160706040 767039068 /nfs/dbraw/zinc/03/90/68/767039068.db2.gz VTIPEBYMNLPDPH-WDEREUQCSA-N 1 3 321.343 0.650 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001146594833 767487074 /nfs/dbraw/zinc/48/70/74/767487074.db2.gz VIMGZDPFEPESCP-QWHCGFSZSA-N 1 3 312.458 0.478 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2)N(C)C ZINC001121301952 767503389 /nfs/dbraw/zinc/50/33/89/767503389.db2.gz HYIQARITWHOPBG-MJZBCOPKSA-N 1 3 322.453 0.232 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](CC)C(N)=O)C2)N(C)C ZINC001121302132 767503644 /nfs/dbraw/zinc/50/36/44/767503644.db2.gz PBSUIEUFKBMXEG-MJZBCOPKSA-N 1 3 324.469 0.608 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121727899 767628722 /nfs/dbraw/zinc/62/87/22/767628722.db2.gz LJUJWQUSCUQMCP-QNJCKLSPSA-N 1 3 324.469 0.336 20 0 DCADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2 ZINC001121930239 767671899 /nfs/dbraw/zinc/67/18/99/767671899.db2.gz ZXVNEOFPANFZPC-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001147647097 767804329 /nfs/dbraw/zinc/80/43/29/767804329.db2.gz MJLRHPXWABUYNQ-ZDUSSCGKSA-N 1 3 301.406 0.193 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147647097 767804335 /nfs/dbraw/zinc/80/43/35/767804335.db2.gz MJLRHPXWABUYNQ-ZDUSSCGKSA-N 1 3 301.406 0.193 20 0 DCADHO [NH3+]CCCSCCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001122536242 767827737 /nfs/dbraw/zinc/82/77/37/767827737.db2.gz WIPQWCZXBHUTFS-KBPBESRZSA-N 1 3 315.483 0.516 20 0 DCADHO C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194325 768484128 /nfs/dbraw/zinc/48/41/28/768484128.db2.gz XZFDWSRLSIVOOG-QLFBSQMISA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194325 768484133 /nfs/dbraw/zinc/48/41/33/768484133.db2.gz XZFDWSRLSIVOOG-QLFBSQMISA-N 1 3 319.453 0.556 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C23CCC3)CCC1 ZINC001203027116 768527656 /nfs/dbraw/zinc/52/76/56/768527656.db2.gz CONXOLQPDGNMOR-KGLIPLIRSA-N 1 3 309.454 0.870 20 0 DCADHO O=C([C@H]1CC2CCN1CC2)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001142629354 768654638 /nfs/dbraw/zinc/65/46/38/768654638.db2.gz RVOZXCITUYADRK-IXDOHACOSA-N 1 3 319.449 0.792 20 0 DCADHO O=C([C@H]1CC2CCN1CC2)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001142629354 768654643 /nfs/dbraw/zinc/65/46/43/768654643.db2.gz RVOZXCITUYADRK-IXDOHACOSA-N 1 3 319.449 0.792 20 0 DCADHO CN1CCN(CCC(=O)N2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001143238277 768700763 /nfs/dbraw/zinc/70/07/63/768700763.db2.gz KPELNUCDQJFLIF-KRWDZBQOSA-N 1 3 316.449 0.536 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1C[N@H+](CC)CCCO1 ZINC001149803658 768863715 /nfs/dbraw/zinc/86/37/15/768863715.db2.gz BZRBTGZSXKNTHM-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1C[N@@H+](CC)CCCO1 ZINC001149803658 768863729 /nfs/dbraw/zinc/86/37/29/768863729.db2.gz BZRBTGZSXKNTHM-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841896 768879255 /nfs/dbraw/zinc/87/92/55/768879255.db2.gz LZRASTUXGAQWEO-CABCVRRESA-N 1 3 313.442 0.180 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149860991 768887972 /nfs/dbraw/zinc/88/79/72/768887972.db2.gz KSYPEFYMJFEFLV-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149860991 768887987 /nfs/dbraw/zinc/88/79/87/768887987.db2.gz KSYPEFYMJFEFLV-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150195063 769033549 /nfs/dbraw/zinc/03/35/49/769033549.db2.gz WZXPVUDJMQCKHD-AWEZNQCLSA-N 1 3 313.442 0.182 20 0 DCADHO COC[C@H](C)N1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195100 769034577 /nfs/dbraw/zinc/03/45/77/769034577.db2.gz XULPZQWPOMKNSF-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)OC)CCCO1 ZINC001150619596 769143241 /nfs/dbraw/zinc/14/32/41/769143241.db2.gz BZAUXTZWQHISEV-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)OC)CCCO1 ZINC001150619596 769143243 /nfs/dbraw/zinc/14/32/43/769143243.db2.gz BZAUXTZWQHISEV-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@@H]1CN(CCO)CCCO1 ZINC001150780178 769185091 /nfs/dbraw/zinc/18/50/91/769185091.db2.gz ZRKCDGZACQXWIA-OAHLLOKOSA-N 1 3 313.442 0.062 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001151044584 769244030 /nfs/dbraw/zinc/24/40/30/769244030.db2.gz TWCPDIMYBKMUAF-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001151044584 769244037 /nfs/dbraw/zinc/24/40/37/769244037.db2.gz TWCPDIMYBKMUAF-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC1CCC(NC(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001151074376 769252990 /nfs/dbraw/zinc/25/29/90/769252990.db2.gz XIIKCOAKWJYSSF-SLTAFYQDSA-N 1 3 324.469 0.339 20 0 DCADHO CC1CCC(NC(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151074376 769252998 /nfs/dbraw/zinc/25/29/98/769252998.db2.gz XIIKCOAKWJYSSF-SLTAFYQDSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001171770564 769372752 /nfs/dbraw/zinc/37/27/52/769372752.db2.gz SVAXWKICYJLQEZ-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCOCCN1C(=O)C=CC1=O)C2 ZINC001172107766 769436752 /nfs/dbraw/zinc/43/67/52/769436752.db2.gz BWQCYJLXFJZCEU-QKDCVEJESA-N 1 3 321.421 0.533 20 0 DCADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCOCCN1C(=O)C=CC1=O)C2 ZINC001172107766 769436763 /nfs/dbraw/zinc/43/67/63/769436763.db2.gz BWQCYJLXFJZCEU-QKDCVEJESA-N 1 3 321.421 0.533 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152149185 769491187 /nfs/dbraw/zinc/49/11/87/769491187.db2.gz WDPYRTAKWXACHV-OKILXGFUSA-N 1 3 312.458 0.481 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152149185 769491189 /nfs/dbraw/zinc/49/11/89/769491189.db2.gz WDPYRTAKWXACHV-OKILXGFUSA-N 1 3 312.458 0.481 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NCC1CCC1 ZINC001152224020 769509471 /nfs/dbraw/zinc/50/94/71/769509471.db2.gz QGDAIOZLUJIBBN-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO COC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173584292 769682552 /nfs/dbraw/zinc/68/25/52/769682552.db2.gz YMZAVTCIUDNXFS-RVOPOGNISA-N 1 3 310.394 0.221 20 0 DCADHO COC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173584292 769682554 /nfs/dbraw/zinc/68/25/54/769682554.db2.gz YMZAVTCIUDNXFS-RVOPOGNISA-N 1 3 310.394 0.221 20 0 DCADHO C[C@H](CCCCNCc1cn(C)nn1)NC(=O)CCC[NH+](C)C ZINC001174960647 769833491 /nfs/dbraw/zinc/83/34/91/769833491.db2.gz GUAQDWFOLASCLA-CQSZACIVSA-N 1 3 324.473 0.922 20 0 DCADHO c1nc(CNC2CCOCC2)c2n1CCCN(C[C@H]1CC[NH2+]1)C2 ZINC001235653435 769926228 /nfs/dbraw/zinc/92/62/28/769926228.db2.gz PMPWORHKRGXWFT-OAHLLOKOSA-N 1 3 319.453 0.719 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828005 769952764 /nfs/dbraw/zinc/95/27/64/769952764.db2.gz GICNGHZVUZUGPD-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828005 769952771 /nfs/dbraw/zinc/95/27/71/769952771.db2.gz GICNGHZVUZUGPD-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](O)COC ZINC001175766744 769959304 /nfs/dbraw/zinc/95/93/04/769959304.db2.gz AHNKSMILQXYLAG-LSDHHAIUSA-N 1 3 317.474 0.600 20 0 DCADHO COCCN(Cc1nc2c(s1)CNCC2)C1CC[NH2+]CC1 ZINC001235945806 769963152 /nfs/dbraw/zinc/96/31/52/769963152.db2.gz VUIUXCVVPLQRLE-UHFFFAOYSA-N 1 3 310.467 0.989 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001176284261 770060830 /nfs/dbraw/zinc/06/08/30/770060830.db2.gz DZJOIXYDGMEWCM-OLZOCXBDSA-N 1 3 300.447 0.467 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](O)COC ZINC001176284745 770062313 /nfs/dbraw/zinc/06/23/13/770062313.db2.gz JSHPDIVDHGUXNA-CABCVRRESA-N 1 3 317.474 0.600 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCNC1=O ZINC001176286932 770062576 /nfs/dbraw/zinc/06/25/76/770062576.db2.gz ZRVCESLBIQNKDX-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001176350409 770090802 /nfs/dbraw/zinc/09/08/02/770090802.db2.gz DDOZBCRKCNOOTR-CMPLNLGQSA-N 1 3 309.414 0.399 20 0 DCADHO Nc1ccccc1S(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238241829 770108863 /nfs/dbraw/zinc/10/88/63/770108863.db2.gz LPFNSDDYTLCPAC-LBPRGKRZSA-N 1 3 324.450 0.421 20 0 DCADHO Nc1ccccc1S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238241829 770108867 /nfs/dbraw/zinc/10/88/67/770108867.db2.gz LPFNSDDYTLCPAC-LBPRGKRZSA-N 1 3 324.450 0.421 20 0 DCADHO NCCS(=O)(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001238523331 770117977 /nfs/dbraw/zinc/11/79/77/770117977.db2.gz MAMFIAATMLVSNO-UHFFFAOYSA-N 1 3 303.472 0.909 20 0 DCADHO NCCS(=O)(=O)N[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001238545598 770118168 /nfs/dbraw/zinc/11/81/68/770118168.db2.gz WUOLBFPRSQBZLG-CQSZACIVSA-N 1 3 309.435 0.631 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1cccc(Cl)c1 ZINC001238879695 770138604 /nfs/dbraw/zinc/13/86/04/770138604.db2.gz UYYRRRWESOZXLM-UHFFFAOYSA-N 1 3 305.831 0.947 20 0 DCADHO CC[C@@H]([NH2+]CCCNC(=O)c1ccccc1CN(C)C)C(N)=O ZINC001176948006 770250598 /nfs/dbraw/zinc/25/05/98/770250598.db2.gz BYTFLUIIJYMVMX-OAHLLOKOSA-N 1 3 320.437 0.722 20 0 DCADHO c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)nc2c1CNCCO2 ZINC001241895629 770273356 /nfs/dbraw/zinc/27/33/56/770273356.db2.gz HRCNDVPILNDNCV-UHFFFAOYSA-N 1 3 312.377 0.430 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001176986975 770274058 /nfs/dbraw/zinc/27/40/58/770274058.db2.gz YMCAQBHCNRFUML-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc(Cl)nc3c2CCNC3)N1 ZINC001155573272 770549965 /nfs/dbraw/zinc/54/99/65/770549965.db2.gz BDXZJNRIAMFKBF-FZMZJTMJSA-N 1 3 307.785 0.371 20 0 DCADHO c1nc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc2c1CNCC2 ZINC001155592437 770558256 /nfs/dbraw/zinc/55/82/56/770558256.db2.gz PDYITVZEGOSKBJ-BLLLJJGKSA-N 1 3 303.410 0.693 20 0 DCADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001179234340 770972261 /nfs/dbraw/zinc/97/22/61/770972261.db2.gz LBSYVOQZVSKVFJ-ZFWWWQNUSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001179234340 770972272 /nfs/dbraw/zinc/97/22/72/770972272.db2.gz LBSYVOQZVSKVFJ-ZFWWWQNUSA-N 1 3 324.469 0.705 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179762940 771013817 /nfs/dbraw/zinc/01/38/17/771013817.db2.gz CCPGYJHRFGGSJC-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]1C ZINC001179983376 771044041 /nfs/dbraw/zinc/04/40/41/771044041.db2.gz YYJJSVVCVWNEFR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180135240 771061283 /nfs/dbraw/zinc/06/12/83/771061283.db2.gz CJZFOXQUBGNPGM-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C)C(N)=O ZINC001180272715 771091429 /nfs/dbraw/zinc/09/14/29/771091429.db2.gz NYALUSIEJKBJII-ILXRZTDVSA-N 1 3 324.469 0.705 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001181653346 771326522 /nfs/dbraw/zinc/32/65/22/771326522.db2.gz YIKFSODKAIQTSG-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@]1(C)C[NH2+]CCO ZINC001182624013 771515365 /nfs/dbraw/zinc/51/53/65/771515365.db2.gz YNRWBLRWFLOAOT-RHSMWYFYSA-N 1 3 311.470 0.785 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623209 771515598 /nfs/dbraw/zinc/51/55/98/771515598.db2.gz GXJKVZWZFDNIRC-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO NC1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC(F)C1 ZINC001157387221 771599397 /nfs/dbraw/zinc/59/93/97/771599397.db2.gz ZLPNWXMUELMVIP-AVERBVTBSA-N 1 3 314.405 0.052 20 0 DCADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)CC[S@](C)=O ZINC001157413291 771604232 /nfs/dbraw/zinc/60/42/32/771604232.db2.gz BBWVSTQBDPYGEF-FPTDNZKUSA-N 1 3 324.450 0.567 20 0 DCADHO N[C@H]1CN(C(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)C[C@H]1F ZINC001157536770 771627442 /nfs/dbraw/zinc/62/74/42/771627442.db2.gz QIBDGQGKXWJRCL-IPYPFGDCSA-N 1 3 319.380 0.576 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1)C1CC1 ZINC001183266921 771631155 /nfs/dbraw/zinc/63/11/55/771631155.db2.gz IBSNIPHQSKEWHU-OCCSQVGLSA-N 1 3 319.396 0.799 20 0 DCADHO CCOc1ccccc1N1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001157615166 771641999 /nfs/dbraw/zinc/64/19/99/771641999.db2.gz AVGZLBYYMKBVOI-AWEZNQCLSA-N 1 3 320.437 0.800 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183509844 771657763 /nfs/dbraw/zinc/65/77/63/771657763.db2.gz QOBAJUHMNOSLKH-CZUORRHYSA-N 1 3 312.458 0.147 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576451 771670109 /nfs/dbraw/zinc/67/01/09/771670109.db2.gz NGVJOUJBSKKWCF-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183647762 771675599 /nfs/dbraw/zinc/67/55/99/771675599.db2.gz KGKOSASUHKSKOG-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC1CC(N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157863051 771682146 /nfs/dbraw/zinc/68/21/46/771682146.db2.gz QNMPYPRPCUHPIH-WUCCLRPBSA-N 1 3 324.469 0.691 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)n1 ZINC001158036660 771716793 /nfs/dbraw/zinc/71/67/93/771716793.db2.gz FAIDLSKJEFYDFC-GOEBONIOSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)n1 ZINC001158036660 771716798 /nfs/dbraw/zinc/71/67/98/771716798.db2.gz FAIDLSKJEFYDFC-GOEBONIOSA-N 1 3 319.453 0.890 20 0 DCADHO O=C([C@H]1CC[C@H](C(F)(F)F)CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166704 771733042 /nfs/dbraw/zinc/73/30/42/771733042.db2.gz CAPXHFUHSPAUQY-WRWGMCAJSA-N 1 3 321.343 0.364 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158421318 771771964 /nfs/dbraw/zinc/77/19/64/771771964.db2.gz ULIXFUNHOBOSSJ-ZIAGYGMSSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158421318 771771967 /nfs/dbraw/zinc/77/19/67/771771967.db2.gz ULIXFUNHOBOSSJ-ZIAGYGMSSA-N 1 3 307.442 0.839 20 0 DCADHO CN(CCn1cncn1)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450574 771777851 /nfs/dbraw/zinc/77/78/51/771777851.db2.gz UHPDAUARTKRZLZ-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184553982 771798400 /nfs/dbraw/zinc/79/84/00/771798400.db2.gz HCRYKQNVEYSWCC-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]CCCO ZINC001184566080 771799818 /nfs/dbraw/zinc/79/98/18/771799818.db2.gz OBGDIDLIVIOTKM-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CCCO ZINC001184578092 771801189 /nfs/dbraw/zinc/80/11/89/771801189.db2.gz QPXLSZDLSOWKKH-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876093 771840749 /nfs/dbraw/zinc/84/07/49/771840749.db2.gz DTNDBHRSCXAAEB-RRFJBIMHSA-N 1 3 324.469 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001185090901 771859333 /nfs/dbraw/zinc/85/93/33/771859333.db2.gz QYOKSEMCADZPGS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001185090901 771859339 /nfs/dbraw/zinc/85/93/39/771859339.db2.gz QYOKSEMCADZPGS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNCc1nccn1C ZINC001185072402 771862914 /nfs/dbraw/zinc/86/29/14/771862914.db2.gz GTSHMZSSRORALX-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185170123 771872685 /nfs/dbraw/zinc/87/26/85/771872685.db2.gz NXQXEYDKGJRPTB-UONOGXRCSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc3c(n2)CCNC3)O1 ZINC001159238229 771881611 /nfs/dbraw/zinc/88/16/11/771881611.db2.gz JBOPIGQBMXSNIV-MGPQQGTHSA-N 1 3 307.398 0.259 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249506 771888161 /nfs/dbraw/zinc/88/81/61/771888161.db2.gz YTIKPYYQMWEFSF-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001185249390 771888284 /nfs/dbraw/zinc/88/82/84/771888284.db2.gz WBVFEERBXYKUMN-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001185416148 771917649 /nfs/dbraw/zinc/91/76/49/771917649.db2.gz OUMZHSBEYZMQEN-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](Nc1nccc(N2CCC([NH3+])CC2)n1)[C@@H]1CNCCO1 ZINC001159496649 771919682 /nfs/dbraw/zinc/91/96/82/771919682.db2.gz DUBSGUFLWJGCBL-YPMHNXCESA-N 1 3 306.414 0.193 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001185536244 771931627 /nfs/dbraw/zinc/93/16/27/771931627.db2.gz MDEOIHGXOKIJHU-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001185651366 771940187 /nfs/dbraw/zinc/94/01/87/771940187.db2.gz ZGHBFZGZIWRFTH-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001185651366 771940190 /nfs/dbraw/zinc/94/01/90/771940190.db2.gz ZGHBFZGZIWRFTH-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](C[NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668142 771941875 /nfs/dbraw/zinc/94/18/75/771941875.db2.gz WLBYDYGBCCVTBZ-CWRNSKLLSA-N 1 3 318.421 0.478 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001185705505 771945547 /nfs/dbraw/zinc/94/55/47/771945547.db2.gz DRCNMDPBRCEQQP-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCCNCc2cnnn2C)C1 ZINC001159839218 771966830 /nfs/dbraw/zinc/96/68/30/771966830.db2.gz VAMLJBODRQIOSY-AWEZNQCLSA-N 1 3 322.457 0.389 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCCNCc2cnnn2C)C1 ZINC001159839218 771966834 /nfs/dbraw/zinc/96/68/34/771966834.db2.gz VAMLJBODRQIOSY-AWEZNQCLSA-N 1 3 322.457 0.389 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159914112 771975785 /nfs/dbraw/zinc/97/57/85/771975785.db2.gz AHBOIEGNGPGAQQ-AWEZNQCLSA-N 1 3 308.430 0.234 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915318 771976383 /nfs/dbraw/zinc/97/63/83/771976383.db2.gz JNQFZIGPKTXCPH-OAHLLOKOSA-N 1 3 307.442 0.665 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001159932374 771979904 /nfs/dbraw/zinc/97/99/04/771979904.db2.gz PWBVNFGXALKLCJ-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)NCC1CCC1)C1CCC1 ZINC001159997157 771986293 /nfs/dbraw/zinc/98/62/93/771986293.db2.gz IJRZMCKJJFIEEB-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082247 771991640 /nfs/dbraw/zinc/99/16/40/771991640.db2.gz HQMTYXRNJIJBMX-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ccc(N(C(=O)[C@@H](C)N)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054308 771992121 /nfs/dbraw/zinc/99/21/21/771992121.db2.gz YYRHYGZSVQHGNS-XJKCOSOUSA-N 1 3 319.409 0.376 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160192422 772007260 /nfs/dbraw/zinc/00/72/60/772007260.db2.gz XIXFYRVWQSUFBT-XPCVCDNBSA-N 1 3 322.453 0.206 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC001160444017 772040139 /nfs/dbraw/zinc/04/01/39/772040139.db2.gz UKVZZRPKSLNKRN-NHYWBVRUSA-N 1 3 306.410 0.834 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001186451500 772042035 /nfs/dbraw/zinc/04/20/35/772042035.db2.gz GXEPCNNCXWPLHM-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(c2ccccn2)CC1 ZINC001160530261 772059286 /nfs/dbraw/zinc/05/92/86/772059286.db2.gz GJMHCSZPIQYQIY-ZDUSSCGKSA-N 1 3 308.451 0.807 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N(C)C[C@H]2CCC[NH2+]C2)cn1 ZINC001160695655 772097231 /nfs/dbraw/zinc/09/72/31/772097231.db2.gz OEIJRPSMKLTSGC-JSGCOSHPSA-N 1 3 306.410 0.938 20 0 DCADHO CCN(CCn1cccn1)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160694507 772097528 /nfs/dbraw/zinc/09/75/28/772097528.db2.gz WVPSWEIUWUIEPT-AWEZNQCLSA-N 1 3 305.426 0.606 20 0 DCADHO CCN(CCn1cccn1)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160694507 772097533 /nfs/dbraw/zinc/09/75/33/772097533.db2.gz WVPSWEIUWUIEPT-AWEZNQCLSA-N 1 3 305.426 0.606 20 0 DCADHO CN(Cc1nc2ccccc2o1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160722383 772103040 /nfs/dbraw/zinc/10/30/40/772103040.db2.gz QASAFJLLRHRSJS-SJKOYZFVSA-N 1 3 314.389 0.985 20 0 DCADHO O=C([C@@H]1CNC[C@@H](F)C1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780421 772110823 /nfs/dbraw/zinc/11/08/23/772110823.db2.gz RCDVGGXVCVBFQO-DNMXQMFDSA-N 1 3 317.408 0.934 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001160889996 772132875 /nfs/dbraw/zinc/13/28/75/772132875.db2.gz SESITMCPUGFKSZ-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001187230745 772150025 /nfs/dbraw/zinc/15/00/25/772150025.db2.gz BKLDSZXOKQZUFS-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001187321585 772164469 /nfs/dbraw/zinc/16/44/69/772164469.db2.gz FNNSAWJEBONWEU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001187321600 772164916 /nfs/dbraw/zinc/16/49/16/772164916.db2.gz GBGLEMSXSYPOHR-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO Nc1ccc(C2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)cc1 ZINC001161191236 772182004 /nfs/dbraw/zinc/18/20/04/772182004.db2.gz KAFZOJOOXCAWEC-MRXNPFEDSA-N 1 3 314.433 0.784 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161259079 772192636 /nfs/dbraw/zinc/19/26/36/772192636.db2.gz UWTCRXFPQRNKNL-HNNXBMFYSA-N 1 3 321.469 0.917 20 0 DCADHO Cc1c[nH+]ccc1N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC001161306603 772200682 /nfs/dbraw/zinc/20/06/82/772200682.db2.gz SDHUKDTWEKDFIO-LLVKDONJSA-N 1 3 302.300 0.928 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322004 772203619 /nfs/dbraw/zinc/20/36/19/772203619.db2.gz IOTJXNMAWFXVDI-IIAWOOMASA-N 1 3 324.469 0.168 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161352469 772209919 /nfs/dbraw/zinc/20/99/19/772209919.db2.gz WIKHIFDZNOSCOZ-STQMWFEESA-N 1 3 313.442 0.905 20 0 DCADHO COc1ccc(O[C@H]2CCCN(C(=O)[C@@H](N)CCC[NH3+])C2)nc1 ZINC001161368000 772211992 /nfs/dbraw/zinc/21/19/92/772211992.db2.gz ARWDCDGPWFRKOF-KBPBESRZSA-N 1 3 322.409 0.526 20 0 DCADHO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835571 772231995 /nfs/dbraw/zinc/23/19/95/772231995.db2.gz YQXWCVPWQCUNAI-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)c(C)c1 ZINC001161500266 772235321 /nfs/dbraw/zinc/23/53/21/772235321.db2.gz MHVYCPQKNRPUPU-LSDHHAIUSA-N 1 3 303.406 0.359 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187826371 772238226 /nfs/dbraw/zinc/23/82/26/772238226.db2.gz YTBIFKXDPONNRM-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187826371 772238232 /nfs/dbraw/zinc/23/82/32/772238232.db2.gz YTBIFKXDPONNRM-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106566 772267070 /nfs/dbraw/zinc/26/70/70/772267070.db2.gz MTISNWOUYSNTCT-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001188106612 772267314 /nfs/dbraw/zinc/26/73/14/772267314.db2.gz OQFNBOSYRYOCLV-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001188145058 772271654 /nfs/dbraw/zinc/27/16/54/772271654.db2.gz COGDVQRLUITRBN-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nonc1CNCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161859593 772291066 /nfs/dbraw/zinc/29/10/66/772291066.db2.gz GVVHIAVAGSYCDQ-UHFFFAOYSA-N 1 3 314.349 0.935 20 0 DCADHO C[NH+](C)C1(CC(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CCCC1 ZINC001188690421 772343674 /nfs/dbraw/zinc/34/36/74/772343674.db2.gz LSTFJRAACOBYJH-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)=CC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162852362 772425892 /nfs/dbraw/zinc/42/58/92/772425892.db2.gz YQQCELFZNBYWOG-CKDBGZEDSA-N 1 3 307.438 0.912 20 0 DCADHO CN1CCOc2c1cnnc2NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278273 772498289 /nfs/dbraw/zinc/49/82/89/772498289.db2.gz IMKJSYFUGUKUBY-MLGOLLRUSA-N 1 3 319.409 0.876 20 0 DCADHO Cc1nc2c(n1-c1nc(Cl)nc3c1CNCC3)CC[NH2+]CC2 ZINC001165351406 772727520 /nfs/dbraw/zinc/72/75/20/772727520.db2.gz CWHQUMOKXGDEJD-UHFFFAOYSA-N 1 3 318.812 0.958 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001165465125 772740387 /nfs/dbraw/zinc/74/03/87/772740387.db2.gz UCZAGQSTXSSWHU-ZDUSSCGKSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC001165718898 772757969 /nfs/dbraw/zinc/75/79/69/772757969.db2.gz SJSIESQGLQRYTO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO COc1cc(CNCCCNC(=O)C[N@@H+]2CCC[C@H]2C)on1 ZINC001166627246 772831146 /nfs/dbraw/zinc/83/11/46/772831146.db2.gz SZLLYTNXJWUOIZ-GFCCVEGCSA-N 1 3 310.398 0.763 20 0 DCADHO COc1cc(CNCCCNC(=O)C[N@H+]2CCC[C@H]2C)on1 ZINC001166627246 772831148 /nfs/dbraw/zinc/83/11/48/772831148.db2.gz SZLLYTNXJWUOIZ-GFCCVEGCSA-N 1 3 310.398 0.763 20 0 DCADHO Cc1cnc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001166677384 772838387 /nfs/dbraw/zinc/83/83/87/772838387.db2.gz IPSXOFIOWNLFKQ-ZDUSSCGKSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001166678563 772839362 /nfs/dbraw/zinc/83/93/62/772839362.db2.gz WISUFENLYCFMTA-HUUCEWRRSA-N 1 3 324.469 0.340 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166691782 772842064 /nfs/dbraw/zinc/84/20/64/772842064.db2.gz NBQFFTCHENCOED-GXTWGEPZSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166691782 772842069 /nfs/dbraw/zinc/84/20/69/772842069.db2.gz NBQFFTCHENCOED-GXTWGEPZSA-N 1 3 305.426 0.579 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001166709194 772846383 /nfs/dbraw/zinc/84/63/83/772846383.db2.gz YAFBVUYBPUHLSS-HIFRSBDPSA-N 1 3 320.437 0.884 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001166709194 772846387 /nfs/dbraw/zinc/84/63/87/772846387.db2.gz YAFBVUYBPUHLSS-HIFRSBDPSA-N 1 3 320.437 0.884 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(CC)CC)N(C)C ZINC001166852115 772870674 /nfs/dbraw/zinc/87/06/74/772870674.db2.gz MGXSIMNNPXGCRQ-KGLIPLIRSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001205490387 772996072 /nfs/dbraw/zinc/99/60/72/772996072.db2.gz DAKSOYIPBBEFPL-OCCSQVGLSA-N 1 3 312.458 0.275 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001206287811 773063216 /nfs/dbraw/zinc/06/32/16/773063216.db2.gz JNPSKXLMBDKCTF-UHFFFAOYSA-N 1 3 310.442 0.032 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1O ZINC001193456852 773071673 /nfs/dbraw/zinc/07/16/73/773071673.db2.gz XSMLBFGPXIKWCA-MGPQQGTHSA-N 1 3 303.422 0.484 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001193456852 773071675 /nfs/dbraw/zinc/07/16/75/773071675.db2.gz XSMLBFGPXIKWCA-MGPQQGTHSA-N 1 3 303.422 0.484 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203791955 773168908 /nfs/dbraw/zinc/16/89/08/773168908.db2.gz MJXXIBUSFXTBFP-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194282581 773175809 /nfs/dbraw/zinc/17/58/09/773175809.db2.gz IATBDNNQKMBUOG-HUUCEWRRSA-N 1 3 306.410 0.479 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC001194284637 773176048 /nfs/dbraw/zinc/17/60/48/773176048.db2.gz KORPPRGTJWHUCR-MRXNPFEDSA-N 1 3 321.469 0.836 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC001194284637 773176050 /nfs/dbraw/zinc/17/60/50/773176050.db2.gz KORPPRGTJWHUCR-MRXNPFEDSA-N 1 3 321.469 0.836 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3CC2CC[NH+](C)CC2)cn1 ZINC001207396668 773199364 /nfs/dbraw/zinc/19/93/64/773199364.db2.gz PJVDESLOFASQEP-JKSUJKDBSA-N 1 3 317.437 0.942 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NC(C)(C)C ZINC001152138172 773252843 /nfs/dbraw/zinc/25/28/43/773252843.db2.gz UAKNTRGQNMKGFO-BETUJISGSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NC(C)(C)C ZINC001152138172 773252849 /nfs/dbraw/zinc/25/28/49/773252849.db2.gz UAKNTRGQNMKGFO-BETUJISGSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001208339699 773436743 /nfs/dbraw/zinc/43/67/43/773436743.db2.gz DNMKORSLZROWHM-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341045 773437802 /nfs/dbraw/zinc/43/78/02/773437802.db2.gz UODLNYWJEZXXKZ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340980 773437843 /nfs/dbraw/zinc/43/78/43/773437843.db2.gz RZOWKTDEPKRQQK-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001208410840 773454327 /nfs/dbraw/zinc/45/43/27/773454327.db2.gz GFHXFHBBFLOYEV-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[NH+]1CCC(CN2CCC[C@H]2C(=O)NCC(=O)OC)CC1 ZINC001208602302 773505072 /nfs/dbraw/zinc/50/50/72/773505072.db2.gz ANGNVTLVZUFIIW-AWEZNQCLSA-N 1 3 311.426 0.472 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCC(=O)NCC2CC2)C1 ZINC001209315903 773590377 /nfs/dbraw/zinc/59/03/77/773590377.db2.gz UYJIXMVTPQBSDM-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001209315904 773590384 /nfs/dbraw/zinc/59/03/84/773590384.db2.gz UYJIXMVTPQBSDM-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001209444042 773603894 /nfs/dbraw/zinc/60/38/94/773603894.db2.gz BXTGQVOPVKAGLG-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCCCC2)C1 ZINC001209418507 773604120 /nfs/dbraw/zinc/60/41/20/773604120.db2.gz DRKZZZHVYYRZNJ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454887 773607413 /nfs/dbraw/zinc/60/74/13/773607413.db2.gz ONDIUXSFOVNHQK-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209483766 773609271 /nfs/dbraw/zinc/60/92/71/773609271.db2.gz BNLHWDSEVUGCMF-QLFBSQMISA-N 1 3 315.458 0.161 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001209690136 773634772 /nfs/dbraw/zinc/63/47/72/773634772.db2.gz OPKJXQIESODBHK-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001210221321 773687052 /nfs/dbraw/zinc/68/70/52/773687052.db2.gz ZQIIMNGKKYMZAB-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001210494743 773713521 /nfs/dbraw/zinc/71/35/21/773713521.db2.gz XDSVHSAXMUCPDD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001210494743 773713525 /nfs/dbraw/zinc/71/35/25/773713525.db2.gz XDSVHSAXMUCPDD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001211039144 773762933 /nfs/dbraw/zinc/76/29/33/773762933.db2.gz OZLBVKFFEWFILA-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001211039144 773762935 /nfs/dbraw/zinc/76/29/35/773762935.db2.gz OZLBVKFFEWFILA-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039144 773762939 /nfs/dbraw/zinc/76/29/39/773762939.db2.gz OZLBVKFFEWFILA-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CN(C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001211065733 773766611 /nfs/dbraw/zinc/76/66/11/773766611.db2.gz YZYOFSZIPWQCHL-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001211065733 773766617 /nfs/dbraw/zinc/76/66/17/773766617.db2.gz YZYOFSZIPWQCHL-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445711 773907394 /nfs/dbraw/zinc/90/73/94/773907394.db2.gz NTKZVNYWKGOADT-CYBMUJFWSA-N 1 3 300.447 0.337 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214343728 773962166 /nfs/dbraw/zinc/96/21/66/773962166.db2.gz DUNSWSXFGRVANK-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001198729699 773968036 /nfs/dbraw/zinc/96/80/36/773968036.db2.gz YJKKWIADCVWYKE-HZPDHXFCSA-N 1 3 309.454 0.824 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663783 774006168 /nfs/dbraw/zinc/00/61/68/774006168.db2.gz CPLHPKWZLGIMKZ-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663783 774006173 /nfs/dbraw/zinc/00/61/73/774006173.db2.gz CPLHPKWZLGIMKZ-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199080612 774027036 /nfs/dbraw/zinc/02/70/36/774027036.db2.gz APULGGWUJULQBT-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001199080612 774027040 /nfs/dbraw/zinc/02/70/40/774027040.db2.gz APULGGWUJULQBT-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001199080612 774027045 /nfs/dbraw/zinc/02/70/45/774027045.db2.gz APULGGWUJULQBT-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001214952610 774028275 /nfs/dbraw/zinc/02/82/75/774028275.db2.gz DGPVVQQAHIDRLY-MRVWCRGKSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001215423507 774071765 /nfs/dbraw/zinc/07/17/65/774071765.db2.gz OHHSSTYWGNZPSP-VNHYZAJKSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1=O ZINC001215463141 774074583 /nfs/dbraw/zinc/07/45/83/774074583.db2.gz JAEDTCXHOGYYQU-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@H](O)COc1ccccc1C#N ZINC000402192808 774078266 /nfs/dbraw/zinc/07/82/66/774078266.db2.gz BVUGFXCNUKTGHM-INIZCTEOSA-N 1 3 318.421 0.135 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215571392 774083337 /nfs/dbraw/zinc/08/33/37/774083337.db2.gz NAPYUSAOGRTJCC-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO c1cc(O[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)n2nc3c(c2n1)CNCC3 ZINC001218128163 774212745 /nfs/dbraw/zinc/21/27/45/774212745.db2.gz GSHWWYAWZGMARR-GZBFAFLISA-N 1 3 315.377 0.273 20 0 DCADHO COc1nc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc2cccnc21 ZINC001218526090 774237204 /nfs/dbraw/zinc/23/72/04/774237204.db2.gz CBNWOSBFLOMSTH-ZDUSSCGKSA-N 1 3 315.377 0.904 20 0 DCADHO CCOC(=O)c1ccncc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218572532 774252357 /nfs/dbraw/zinc/25/23/57/774252357.db2.gz WMUMRLPJGGNJBM-CYBMUJFWSA-N 1 3 306.366 0.524 20 0 DCADHO COC(=O)c1cnc(NC(=O)[C@H](N)CCC[NH3+])c(Cl)c1 ZINC001218595514 774258982 /nfs/dbraw/zinc/25/89/82/774258982.db2.gz MDEVMKBTHYERHS-SECBINFHSA-N 1 3 300.746 0.526 20 0 DCADHO COC(=O)c1scnc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218623284 774266128 /nfs/dbraw/zinc/26/61/28/774266128.db2.gz GFQKHQBGLAPIPE-VIFPVBQESA-N 1 3 314.411 0.927 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1nonc1-c1nc2ccccc2[nH]1 ZINC001218625456 774266861 /nfs/dbraw/zinc/26/68/61/774266861.db2.gz BKPLYYDDNJXJLE-QMMMGPOBSA-N 1 3 315.337 0.618 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001218642864 774271327 /nfs/dbraw/zinc/27/13/27/774271327.db2.gz FHHGZCSFOONYKL-NXEZZACHSA-N 1 3 319.369 0.140 20 0 DCADHO Nc1cn(C(=O)[C@@H]2CNCCN2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708818 774285015 /nfs/dbraw/zinc/28/50/15/774285015.db2.gz IFCLUDPFXJDARW-AWEZNQCLSA-N 1 3 315.352 0.557 20 0 DCADHO COc1cccc2ncnc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)c21 ZINC001218790789 774302776 /nfs/dbraw/zinc/30/27/76/774302776.db2.gz UIHQMGUOIAMXJT-AWEZNQCLSA-N 1 3 315.377 0.904 20 0 DCADHO Nc1ccc(COCCO)c(NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001218918733 774326877 /nfs/dbraw/zinc/32/68/77/774326877.db2.gz USUHCOWTHMZZIC-ZDUSSCGKSA-N 1 3 310.398 0.173 20 0 DCADHO COC(=O)C1(c2ccc(NC(=O)[C@H](N)CCC[NH3+])cc2)CC1 ZINC001218975989 774338909 /nfs/dbraw/zinc/33/89/09/774338909.db2.gz SYOHISMNMORWCF-CYBMUJFWSA-N 1 3 305.378 0.896 20 0 DCADHO COc1cc2c(cc1NC(=O)[C@@H](N)CCC[NH3+])N(C(C)=O)CC2 ZINC001218986912 774340888 /nfs/dbraw/zinc/34/08/88/774340888.db2.gz FTYJHRJNISQAQN-LBPRGKRZSA-N 1 3 320.393 0.609 20 0 DCADHO CO[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219029788 774349729 /nfs/dbraw/zinc/34/97/29/774349729.db2.gz NUTWLRVKUHQJML-KGLIPLIRSA-N 1 3 305.378 0.874 20 0 DCADHO C[NH+](C)C[C@H]1COCCN1C(=S)NCCN1CCCCC1 ZINC001200428896 774351460 /nfs/dbraw/zinc/35/14/60/774351460.db2.gz CDFHTVCEDVXSQU-AWEZNQCLSA-N 1 3 314.499 0.609 20 0 DCADHO COC(=O)c1ccc(N)c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001219146924 774389047 /nfs/dbraw/zinc/38/90/47/774389047.db2.gz JFLSDIWJQOUJAC-CYBMUJFWSA-N 1 3 306.366 0.321 20 0 DCADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCC[NH3+])cc2n[nH]cc21 ZINC001219338225 774455397 /nfs/dbraw/zinc/45/53/97/774455397.db2.gz GMQQLFKHMGYZDZ-NSHDSACASA-N 1 3 305.338 0.354 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCCO[C@@H](CNCCF)C2)CC1 ZINC001201259542 774478724 /nfs/dbraw/zinc/47/87/24/774478724.db2.gz BCVMHIYPPFDDHC-ZDUSSCGKSA-N 1 3 301.406 0.505 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201494486 774517253 /nfs/dbraw/zinc/51/72/53/774517253.db2.gz SWINHAKVULAJIH-AWEZNQCLSA-N 1 3 310.398 0.196 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCCOC)C1 ZINC001201678445 774536055 /nfs/dbraw/zinc/53/60/55/774536055.db2.gz IXZWIRRBNIPNPW-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635585 774568316 /nfs/dbraw/zinc/56/83/16/774568316.db2.gz NJHXQXSPZDFRAO-KKUMJFAQSA-N 1 3 309.385 0.737 20 0 DCADHO Cc1cccc2c1[C@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)CCO2 ZINC001219682631 774577936 /nfs/dbraw/zinc/57/79/36/774577936.db2.gz OVXHLHRFAKHLKM-QWHCGFSZSA-N 1 3 301.390 0.744 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCC(=O)N(C)C1CC1 ZINC001219693005 774581370 /nfs/dbraw/zinc/58/13/70/774581370.db2.gz LQLMWNFCBJGSPC-AWEZNQCLSA-N 1 3 312.458 0.609 20 0 DCADHO Cc1ccn2c(CNC(=O)[C@@H](N)C3CC[NH2+]CC3)cnc2c1 ZINC001219709378 774587352 /nfs/dbraw/zinc/58/73/52/774587352.db2.gz DTKZFGVANFWYIC-HNNXBMFYSA-N 1 3 301.394 0.586 20 0 DCADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001219775419 774604441 /nfs/dbraw/zinc/60/44/41/774604441.db2.gz LMUYOACCVBDCKH-DYVFJYSZSA-N 1 3 307.438 0.794 20 0 DCADHO N[C@@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CCc2cc(F)ccc2C1 ZINC001219856226 774629441 /nfs/dbraw/zinc/62/94/41/774629441.db2.gz CNXIUZJVMWNEDX-DLTWYDFYSA-N 1 3 319.380 0.115 20 0 DCADHO O=C(NCc1cc(F)c(F)c(F)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219904330 774641950 /nfs/dbraw/zinc/64/19/50/774641950.db2.gz VPLRLMYVTSDXRL-MEBBXXQBSA-N 1 3 313.323 0.919 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H](N)Cc2c[nH]cn2)c1 ZINC001219943358 774653013 /nfs/dbraw/zinc/65/30/13/774653013.db2.gz FXEYVIIGVSPOPJ-OAHLLOKOSA-N 1 3 301.394 0.658 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954779 774654780 /nfs/dbraw/zinc/65/47/80/774654780.db2.gz RNXMZLLEMOJXPF-RNODOKPDSA-N 1 3 303.472 0.511 20 0 DCADHO N[C@H](C(=O)NCC(=O)N1CCc2ccccc21)C1CC[NH2+]CC1 ZINC001219978760 774660008 /nfs/dbraw/zinc/66/00/08/774660008.db2.gz SFQGWCLBBWNCBD-INIZCTEOSA-N 1 3 316.405 0.019 20 0 DCADHO CC1(C)CC(NC(=O)[C@@H](N)CCCC[NH3+])CC(C)(C)N1O ZINC001220049801 774681624 /nfs/dbraw/zinc/68/16/24/774681624.db2.gz RUKGWUMIUJTEOR-LBPRGKRZSA-N 1 3 300.447 0.970 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496859 774730282 /nfs/dbraw/zinc/73/02/82/774730282.db2.gz ZMGBERMQWODGDF-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC1(N2CCCC2)COC1 ZINC001220197393 774730590 /nfs/dbraw/zinc/73/05/90/774730590.db2.gz ASVLOCIOCFJFOL-AWEZNQCLSA-N 1 3 312.458 0.027 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230947 774741134 /nfs/dbraw/zinc/74/11/34/774741134.db2.gz VJHSEYWOYATGJK-MUHKLVGJSA-N 1 3 309.454 0.846 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220276473 774754392 /nfs/dbraw/zinc/75/43/92/774754392.db2.gz BFKGNDFAJNEJCI-XQQFMLRXSA-N 1 3 319.396 0.535 20 0 DCADHO O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1ccc2c(c1)CNC2 ZINC001220322955 774772226 /nfs/dbraw/zinc/77/22/26/774772226.db2.gz ADFBWNLQAYPRAM-RDJZCZTQSA-N 1 3 301.390 0.931 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)Cc1cccc2ccccc21 ZINC001220517430 774832467 /nfs/dbraw/zinc/83/24/67/774832467.db2.gz LIQFVNMSFMNKOF-KRWDZBQOSA-N 1 3 314.433 0.716 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001115241828 774833772 /nfs/dbraw/zinc/83/37/72/774833772.db2.gz PCODOQXCIVUMNI-WCVJEAGWSA-N 1 3 307.438 0.411 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001115241828 774833781 /nfs/dbraw/zinc/83/37/81/774833781.db2.gz PCODOQXCIVUMNI-WCVJEAGWSA-N 1 3 307.438 0.411 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C[C@H]2CC[C@H]([NH3+])CC2)CCNC1 ZINC001220521342 774835025 /nfs/dbraw/zinc/83/50/25/774835025.db2.gz CYLHEIDBIWWVOO-HAQNSBGRSA-N 1 3 309.410 0.821 20 0 DCADHO CCOC(=O)C1=C(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCNC1 ZINC001220523516 774836644 /nfs/dbraw/zinc/83/66/44/774836644.db2.gz QWTAIQWEYXCHDW-YHWZYXNKSA-N 1 3 321.421 0.834 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21)C1CC1 ZINC001114408799 774845136 /nfs/dbraw/zinc/84/51/36/774845136.db2.gz APMPEZVRXOVWNG-HZMVEIRTSA-N 1 3 321.465 0.942 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21)C1CC1 ZINC001114408799 774845146 /nfs/dbraw/zinc/84/51/46/774845146.db2.gz APMPEZVRXOVWNG-HZMVEIRTSA-N 1 3 321.465 0.942 20 0 DCADHO O=C(NCC1Oc2ccccc2O1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220708782 774897569 /nfs/dbraw/zinc/89/75/69/774897569.db2.gz HEBANDRCCYIZIL-LBPRGKRZSA-N 1 3 317.389 0.774 20 0 DCADHO O=C(NCC1Oc2ccccc2O1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220708782 774897576 /nfs/dbraw/zinc/89/75/76/774897576.db2.gz HEBANDRCCYIZIL-LBPRGKRZSA-N 1 3 317.389 0.774 20 0 DCADHO CCCCCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771490 774910906 /nfs/dbraw/zinc/91/09/06/774910906.db2.gz WARGBPXDTPHVNZ-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220780624 774913401 /nfs/dbraw/zinc/91/34/01/774913401.db2.gz JDMZFUAHMXCQSH-IMJJTQAJSA-N 1 3 310.442 0.540 20 0 DCADHO NC(C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C(F)(F)F ZINC001220789042 774915422 /nfs/dbraw/zinc/91/54/22/774915422.db2.gz ITNKIZIXEVGBBO-HBNTYKKESA-N 1 3 302.300 0.738 20 0 DCADHO N[C@H](C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)C1CCOCC1 ZINC001220791311 774916285 /nfs/dbraw/zinc/91/62/85/774916285.db2.gz XQCAETITXMQBRU-PMPSAXMXSA-N 1 3 318.421 0.602 20 0 DCADHO COc1cccc2[nH]cc(CNC(=O)[C@H]3C[NH2+]CC34CNC4)c21 ZINC001220812987 774922900 /nfs/dbraw/zinc/92/29/00/774922900.db2.gz WTWWOXLAEUMYAC-GFCCVEGCSA-N 1 3 314.389 0.602 20 0 DCADHO NC1(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001220898784 774947398 /nfs/dbraw/zinc/94/73/98/774947398.db2.gz WIJLCIKKRPYJOO-UHFFFAOYSA-N 1 3 308.426 0.071 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@@H]2O)C1 ZINC001220976109 774967490 /nfs/dbraw/zinc/96/74/90/774967490.db2.gz JPZNURVIGNWWNE-ZNMIVQPWSA-N 1 3 311.470 0.926 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@@H]2O)C1 ZINC001220976109 774967496 /nfs/dbraw/zinc/96/74/96/774967496.db2.gz JPZNURVIGNWWNE-ZNMIVQPWSA-N 1 3 311.470 0.926 20 0 DCADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CNC[C@@H](F)C1 ZINC001221121531 775000928 /nfs/dbraw/zinc/00/09/28/775000928.db2.gz IQQSUEYUDLVQLT-JSGCOSHPSA-N 1 3 306.385 0.724 20 0 DCADHO N[C@H](C(=O)NCc1cn(CC(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC001221146744 775008038 /nfs/dbraw/zinc/00/80/38/775008038.db2.gz NWGQDURXBGIBJH-NSHDSACASA-N 1 3 319.331 0.389 20 0 DCADHO O=C(N[C@H](c1ncccc1F)C1CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221218782 775030941 /nfs/dbraw/zinc/03/09/41/775030941.db2.gz GBQAPXOFKWFFDK-YPMHNXCESA-N 1 3 304.369 0.597 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248425 775043583 /nfs/dbraw/zinc/04/35/83/775043583.db2.gz VUQVGBIBZGXYAD-KBARZSOFSA-N 1 3 301.456 0.121 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298335 775059307 /nfs/dbraw/zinc/05/93/07/775059307.db2.gz KYAMGMXDVKTWJM-AWEZNQCLSA-N 1 3 318.421 0.857 20 0 DCADHO CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001221306798 775062195 /nfs/dbraw/zinc/06/21/95/775062195.db2.gz ZIPUSQLHMVZOAF-NSHDSACASA-N 1 3 301.431 0.927 20 0 DCADHO CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221306499 775063127 /nfs/dbraw/zinc/06/31/27/775063127.db2.gz RYJPMAAORXUIGF-LLVKDONJSA-N 1 3 311.426 0.280 20 0 DCADHO C[C@@]1(CC(=O)N2CCC(C3=CC=C(N)CN3)CC2)CC[NH2+]C1 ZINC001221392430 775083710 /nfs/dbraw/zinc/08/37/10/775083710.db2.gz WGVVAIVMWGRBEL-KRWDZBQOSA-N 1 3 304.438 0.944 20 0 DCADHO COCC1(NC(=O)[C@H]2C[NH2+]CC23CNC3)Cc2ccccc2C1 ZINC001221396554 775085639 /nfs/dbraw/zinc/08/56/39/775085639.db2.gz QNSFGDUQXNYODE-OAHLLOKOSA-N 1 3 315.417 0.096 20 0 DCADHO N[C@@H](C(=O)NCCCC(=O)c1cccnc1)C1CC[NH2+]CC1 ZINC001221395067 775086124 /nfs/dbraw/zinc/08/61/24/775086124.db2.gz ZNGKAUMAWSVSAL-OAHLLOKOSA-N 1 3 304.394 0.488 20 0 DCADHO O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1cncc2c1CCNC2 ZINC001221413814 775092910 /nfs/dbraw/zinc/09/29/10/775092910.db2.gz MNCZDJWZKRBEHL-MRXNPFEDSA-N 1 3 300.406 0.845 20 0 DCADHO COC[C@@H](C)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772074 775192198 /nfs/dbraw/zinc/19/21/98/775192198.db2.gz MSNFEIJQWHJZFQ-RBSFLKMASA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224347236 775562854 /nfs/dbraw/zinc/56/28/54/775562854.db2.gz YPWGGUSOSMTEQH-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@@H](O)COC)CC1 ZINC001224911182 775619624 /nfs/dbraw/zinc/61/96/24/775619624.db2.gz KWITZNGVTRCKTD-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@H](O)COC)CC1 ZINC001224911181 775620168 /nfs/dbraw/zinc/62/01/68/775620168.db2.gz KWITZNGVTRCKTD-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](C[C@@H](C)O)CC1 ZINC001227618332 775991471 /nfs/dbraw/zinc/99/14/71/775991471.db2.gz DZVHIAAOSDZXBE-TZMCWYRMSA-N 1 3 303.422 0.628 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001228602733 776101087 /nfs/dbraw/zinc/10/10/87/776101087.db2.gz KEJRVAVULNDGBA-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)CC(C)(C)C ZINC001228623734 776106507 /nfs/dbraw/zinc/10/65/07/776106507.db2.gz JHJAEMKNLKRWEQ-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC ZINC001229852871 776230088 /nfs/dbraw/zinc/23/00/88/776230088.db2.gz NELHZFPAHUSDCM-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC ZINC001229852871 776230091 /nfs/dbraw/zinc/23/00/91/776230091.db2.gz NELHZFPAHUSDCM-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138067 776256731 /nfs/dbraw/zinc/25/67/31/776256731.db2.gz FCNMHJWYRIRXGV-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138067 776256736 /nfs/dbraw/zinc/25/67/36/776256736.db2.gz FCNMHJWYRIRXGV-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284568 776275285 /nfs/dbraw/zinc/27/52/85/776275285.db2.gz LHBYYOYTTJRPRF-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCCO)C3)C2)C1 ZINC001041678578 777426247 /nfs/dbraw/zinc/42/62/47/777426247.db2.gz HUOJOFPNFXWOMZ-NVXWUHKLSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCCO)C3)C2)C1 ZINC001041678578 777426251 /nfs/dbraw/zinc/42/62/51/777426251.db2.gz HUOJOFPNFXWOMZ-NVXWUHKLSA-N 1 3 309.454 0.635 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712810 777442654 /nfs/dbraw/zinc/44/26/54/777442654.db2.gz XBARMJFEMIUGJP-CZUORRHYSA-N 1 3 306.410 0.912 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712810 777442660 /nfs/dbraw/zinc/44/26/60/777442660.db2.gz XBARMJFEMIUGJP-CZUORRHYSA-N 1 3 306.410 0.912 20 0 DCADHO COc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)ccn1 ZINC001317572236 945066304 /nfs/dbraw/zinc/06/63/04/945066304.db2.gz CGVHCJXQTMNYGG-CQSZACIVSA-N 1 3 306.410 0.732 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317599285 945100687 /nfs/dbraw/zinc/10/06/87/945100687.db2.gz RLCSWQHTXNXSJS-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001317599285 945100691 /nfs/dbraw/zinc/10/06/91/945100691.db2.gz RLCSWQHTXNXSJS-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001266699623 939213797 /nfs/dbraw/zinc/21/37/97/939213797.db2.gz JWMVEBNLGRELMY-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001266699623 939213802 /nfs/dbraw/zinc/21/38/02/939213802.db2.gz JWMVEBNLGRELMY-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001267117054 939349588 /nfs/dbraw/zinc/34/95/88/939349588.db2.gz MFZGIDIUUKFGEP-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001267117054 939349590 /nfs/dbraw/zinc/34/95/90/939349590.db2.gz MFZGIDIUUKFGEP-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408594641 939410654 /nfs/dbraw/zinc/41/06/54/939410654.db2.gz AWVNYCSZKNOFKZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408594641 939410656 /nfs/dbraw/zinc/41/06/56/939410656.db2.gz AWVNYCSZKNOFKZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC(CC)NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001267456737 939460545 /nfs/dbraw/zinc/46/05/45/939460545.db2.gz IFNOXXXQGOEJDZ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC[NH2+]CCO[C@@H]1CC1(F)F)C(=O)CN1CCCC1 ZINC001267469940 939468464 /nfs/dbraw/zinc/46/84/64/939468464.db2.gz RBFDCORQHPEAHU-GFCCVEGCSA-N 1 3 305.369 0.554 20 0 DCADHO C[NH+](C)CCC(=O)NC1(CNCCS(C)(=O)=O)CCCC1 ZINC001267841606 939693395 /nfs/dbraw/zinc/69/33/95/939693395.db2.gz VJCOYEZGCIOMOH-UHFFFAOYSA-N 1 3 319.471 0.001 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N(C)C ZINC001481522302 939914205 /nfs/dbraw/zinc/91/42/05/939914205.db2.gz DTAMFUCPUYJQNS-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC[NH2+]CCn1cc(Cl)cn1)C(=O)Cc1c[nH]cn1 ZINC001268483641 940182100 /nfs/dbraw/zinc/18/21/00/940182100.db2.gz IRUQHYDNDRBUPY-UHFFFAOYSA-N 1 3 324.816 0.940 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001268542049 940226340 /nfs/dbraw/zinc/22/63/40/940226340.db2.gz LEXZCZFSYAXYES-XCWUXJFVSA-N 1 3 322.453 0.257 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001268542049 940226341 /nfs/dbraw/zinc/22/63/41/940226341.db2.gz LEXZCZFSYAXYES-XCWUXJFVSA-N 1 3 322.453 0.257 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CCN2CCCC2=O)CCC1 ZINC001268549213 940229663 /nfs/dbraw/zinc/22/96/63/940229663.db2.gz DHEJMUDYAFNAKA-ARJAWSKDSA-N 1 3 322.453 0.355 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482064969 940242215 /nfs/dbraw/zinc/24/22/15/940242215.db2.gz AGFFGLOHIOSMNU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482064969 940242217 /nfs/dbraw/zinc/24/22/17/940242217.db2.gz AGFFGLOHIOSMNU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001245990406 945307021 /nfs/dbraw/zinc/30/70/21/945307021.db2.gz IXWYWMGIWLIUEL-BHYGNILZSA-N 1 3 322.449 0.796 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)C1 ZINC001268582135 940265353 /nfs/dbraw/zinc/26/53/53/940265353.db2.gz GMTSKVMPPFKAQB-MRYXHSKJSA-N 1 3 310.442 0.244 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)C1 ZINC001268582135 940265355 /nfs/dbraw/zinc/26/53/55/940265355.db2.gz GMTSKVMPPFKAQB-MRYXHSKJSA-N 1 3 310.442 0.244 20 0 DCADHO C[C@@H](C[NH2+]CCn1cccn1)NC(=O)C(C)(C)N1CCCC1 ZINC001268698735 940335525 /nfs/dbraw/zinc/33/55/25/940335525.db2.gz YARDLGSTTALGPZ-AWEZNQCLSA-N 1 3 307.442 0.852 20 0 DCADHO N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246016706 945315774 /nfs/dbraw/zinc/31/57/74/945315774.db2.gz HEZFSPHWSFAZEC-OIISXLGYSA-N 1 3 308.422 0.821 20 0 DCADHO CN(CCC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@H]1CCCN1C ZINC001268810085 940369165 /nfs/dbraw/zinc/36/91/65/940369165.db2.gz CCHJCLZZEGRNBV-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCNC[C@H]1C(F)(F)F ZINC001246057899 945331202 /nfs/dbraw/zinc/33/12/02/945331202.db2.gz HXJOTVODWJLWDK-MJBXVCDLSA-N 1 3 317.355 0.753 20 0 DCADHO COCCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246156741 945352948 /nfs/dbraw/zinc/35/29/48/945352948.db2.gz LLBQDLLEGMZNKB-OAHLLOKOSA-N 1 3 305.422 0.694 20 0 DCADHO C[C@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)CN1CCCC1 ZINC001482365010 941023115 /nfs/dbraw/zinc/02/31/15/941023115.db2.gz RLVOGDDXPUWMNW-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)CC(N)=O)CC2)CC[N@@H+]1C ZINC001482504067 941433245 /nfs/dbraw/zinc/43/32/45/941433245.db2.gz CULIRPDBRMYYTD-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)CC(N)=O)CC2)CC[N@H+]1C ZINC001482504067 941433247 /nfs/dbraw/zinc/43/32/47/941433247.db2.gz CULIRPDBRMYYTD-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001409087234 941459150 /nfs/dbraw/zinc/45/91/50/941459150.db2.gz VVCJNWXEDSTUHZ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001409087234 941459152 /nfs/dbraw/zinc/45/91/52/941459152.db2.gz VVCJNWXEDSTUHZ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cncc1CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001482660916 941612941 /nfs/dbraw/zinc/61/29/41/941612941.db2.gz AXKMBCUHQVOXSZ-HOCLYGCPSA-N 1 3 319.453 0.795 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)nn1C ZINC001482893236 941703569 /nfs/dbraw/zinc/70/35/69/941703569.db2.gz ZYTQNKLDFDQOOB-CYBMUJFWSA-N 1 3 319.453 0.809 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC(=O)N2CCCC2)C1 ZINC001409294864 941878692 /nfs/dbraw/zinc/87/86/92/941878692.db2.gz SWLPDICYIHYREW-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483228349 941951740 /nfs/dbraw/zinc/95/17/40/941951740.db2.gz FUOBSDNPLLGHTO-JSGCOSHPSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001413032878 942218178 /nfs/dbraw/zinc/21/81/78/942218178.db2.gz UKJHDSLSHPCFKS-NVXWUHKLSA-N 1 3 311.470 0.486 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001413032878 942218184 /nfs/dbraw/zinc/21/81/84/942218184.db2.gz UKJHDSLSHPCFKS-NVXWUHKLSA-N 1 3 311.470 0.486 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001483296730 942247278 /nfs/dbraw/zinc/24/72/78/942247278.db2.gz QFKNMUJINKABBI-STQMWFEESA-N 1 3 308.430 0.200 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC001483296646 942249058 /nfs/dbraw/zinc/24/90/58/942249058.db2.gz MUIWBQLMODJHJI-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2cncn2C)CCC1 ZINC001483470215 942375134 /nfs/dbraw/zinc/37/51/34/942375134.db2.gz OQBATDBYRCBVPL-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001083669210 942449843 /nfs/dbraw/zinc/44/98/43/942449843.db2.gz YSIOKFZXHBRHST-IKGGRYGDSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001083669210 942449850 /nfs/dbraw/zinc/44/98/50/942449850.db2.gz YSIOKFZXHBRHST-IKGGRYGDSA-N 1 3 321.465 0.822 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001413068091 942463021 /nfs/dbraw/zinc/46/30/21/942463021.db2.gz RORNZNNOXIICQP-CHWSQXEVSA-N 1 3 321.425 0.318 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001127082595 942465460 /nfs/dbraw/zinc/46/54/60/942465460.db2.gz VZXUSBTWOYGZRH-GXTWGEPZSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001127082595 942465461 /nfs/dbraw/zinc/46/54/61/942465461.db2.gz VZXUSBTWOYGZRH-GXTWGEPZSA-N 1 3 310.442 0.232 20 0 DCADHO CC[N@@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001272436917 942756161 /nfs/dbraw/zinc/75/61/61/942756161.db2.gz CZIRRCIZWIJBRW-KRWDZBQOSA-N 1 3 308.470 0.711 20 0 DCADHO CC[N@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001272436917 942756167 /nfs/dbraw/zinc/75/61/67/942756167.db2.gz CZIRRCIZWIJBRW-KRWDZBQOSA-N 1 3 308.470 0.711 20 0 DCADHO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC(=O)N1 ZINC001272525686 942805213 /nfs/dbraw/zinc/80/52/13/942805213.db2.gz XGKUPMZSCGUTQQ-PBHICJAKSA-N 1 3 322.453 0.284 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(CCc2cnn(C)c2)C1 ZINC001484065439 943130803 /nfs/dbraw/zinc/13/08/03/943130803.db2.gz VKBPHWWCFVBASV-KRWDZBQOSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(CCc2cnn(C)c2)C1 ZINC001484065439 943130808 /nfs/dbraw/zinc/13/08/08/943130808.db2.gz VKBPHWWCFVBASV-KRWDZBQOSA-N 1 3 321.469 0.885 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CCCO)C2)CC1 ZINC001484120653 943156588 /nfs/dbraw/zinc/15/65/88/943156588.db2.gz VQDMMOGVPVSJGS-KRWDZBQOSA-N 1 3 311.470 0.929 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCF)CCOCC1)C1CCC1 ZINC001484183923 943181011 /nfs/dbraw/zinc/18/10/11/943181011.db2.gz PEFOBNQTUZIXIO-UHFFFAOYSA-N 1 3 301.406 0.695 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCCF)CCOCC1 ZINC001484191725 943181303 /nfs/dbraw/zinc/18/13/03/943181303.db2.gz QWRVSZOFMIXRAM-UHFFFAOYSA-N 1 3 312.389 0.875 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001484382303 943347176 /nfs/dbraw/zinc/34/71/76/943347176.db2.gz GQFJPFGJQWNSIH-UONOGXRCSA-N 1 3 312.458 0.101 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001484678971 943509637 /nfs/dbraw/zinc/50/96/37/943509637.db2.gz TWTOIMFRAWNKHN-STQMWFEESA-N 1 3 307.385 0.453 20 0 DCADHO CN(CCC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1CCCN1C ZINC001484735640 943548749 /nfs/dbraw/zinc/54/87/49/943548749.db2.gz BLSBDZHJILZIEW-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CCC[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1CCCN1C ZINC001484735640 943548754 /nfs/dbraw/zinc/54/87/54/943548754.db2.gz BLSBDZHJILZIEW-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CC[C@@H](C(=O)NC1(CO)CC[NH+]([C@H](C)COC)CC1)N(C)C ZINC001485023290 943662955 /nfs/dbraw/zinc/66/29/55/943662955.db2.gz FIFRGBPYSZCNBM-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485187109 943745205 /nfs/dbraw/zinc/74/52/05/943745205.db2.gz RHFUQVJERWFBAD-NEPJUHHUSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCn1cccn1 ZINC001485351615 943866064 /nfs/dbraw/zinc/86/60/64/943866064.db2.gz VJYMQFYKEMUURQ-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCn1cccn1 ZINC001485351615 943866072 /nfs/dbraw/zinc/86/60/72/943866072.db2.gz VJYMQFYKEMUURQ-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001491336929 943930183 /nfs/dbraw/zinc/93/01/83/943930183.db2.gz MXKHFXWMGHNKIB-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001491336929 943930188 /nfs/dbraw/zinc/93/01/88/943930188.db2.gz MXKHFXWMGHNKIB-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCCC1 ZINC001485458535 943948135 /nfs/dbraw/zinc/94/81/35/943948135.db2.gz BNRSGILPBJSBDV-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001491457242 944012283 /nfs/dbraw/zinc/01/22/83/944012283.db2.gz OYSIZHAWTJUVKD-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001491457242 944012288 /nfs/dbraw/zinc/01/22/88/944012288.db2.gz OYSIZHAWTJUVKD-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C(=O)CN(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485766181 944123930 /nfs/dbraw/zinc/12/39/30/944123930.db2.gz BDYJVHOXBOBEEE-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366875622 944183465 /nfs/dbraw/zinc/18/34/65/944183465.db2.gz WZYPXOIUNIDDBS-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366875622 944183469 /nfs/dbraw/zinc/18/34/69/944183469.db2.gz WZYPXOIUNIDDBS-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO Cc1cnc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001272815780 944255276 /nfs/dbraw/zinc/25/52/76/944255276.db2.gz RFTQGTADCIFQCC-QGZVFWFLSA-N 1 3 317.437 0.771 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1cnn(C)c1 ZINC001485916356 944401026 /nfs/dbraw/zinc/40/10/26/944401026.db2.gz PEVSZZHAGSASHA-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001485945323 944427075 /nfs/dbraw/zinc/42/70/75/944427075.db2.gz VRKVIDCSVMDRNQ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001485945323 944427079 /nfs/dbraw/zinc/42/70/79/944427079.db2.gz VRKVIDCSVMDRNQ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001485961885 944450568 /nfs/dbraw/zinc/45/05/68/944450568.db2.gz UERIEISCINTWON-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001486123459 944579722 /nfs/dbraw/zinc/57/97/22/944579722.db2.gz CDYCENMCEBHPPT-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001316882680 944612359 /nfs/dbraw/zinc/61/23/59/944612359.db2.gz UHNGTGBHAJPSPL-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO NC[C@H]1C[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@@H]1O ZINC001246586186 945436089 /nfs/dbraw/zinc/43/60/89/945436089.db2.gz RJRNEYNUOAGJAK-BBWFWOEESA-N 1 3 317.433 0.819 20 0 DCADHO NC[C@H]1C[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@@H]1O ZINC001246586186 945436091 /nfs/dbraw/zinc/43/60/91/945436091.db2.gz RJRNEYNUOAGJAK-BBWFWOEESA-N 1 3 317.433 0.819 20 0 DCADHO O=C1NCCN([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CNC2 ZINC001246637956 945448350 /nfs/dbraw/zinc/44/83/50/945448350.db2.gz QYCJACLFGMGWNT-CABCVRRESA-N 1 3 300.406 0.254 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@@H+]([C@H]4CCCNC4)C[C@@H]3C2)cn1 ZINC001246714808 945470712 /nfs/dbraw/zinc/47/07/12/945470712.db2.gz NTWLZCXOISBZIT-IKGGRYGDSA-N 1 3 303.454 0.926 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@H+]([C@H]4CCCNC4)C[C@@H]3C2)cn1 ZINC001246714808 945470719 /nfs/dbraw/zinc/47/07/19/945470719.db2.gz NTWLZCXOISBZIT-IKGGRYGDSA-N 1 3 303.454 0.926 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CCN1 ZINC001246724746 945472243 /nfs/dbraw/zinc/47/22/43/945472243.db2.gz YNXKSVAVTQYVBO-DGADGQDISA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CCN1 ZINC001246724746 945472250 /nfs/dbraw/zinc/47/22/50/945472250.db2.gz YNXKSVAVTQYVBO-DGADGQDISA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1C[C@@H](N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CC[NH2+]1 ZINC001246724746 945472258 /nfs/dbraw/zinc/47/22/58/945472258.db2.gz YNXKSVAVTQYVBO-DGADGQDISA-N 1 3 309.454 0.942 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@@H]1CCC[NH2+]C1)CCC2 ZINC001246741998 945478966 /nfs/dbraw/zinc/47/89/66/945478966.db2.gz JLOAGTYHSFQMQY-CQSZACIVSA-N 1 3 305.426 0.263 20 0 DCADHO C[C@@H]1C[C@H](N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CC[NH2+]1 ZINC001246737369 945479269 /nfs/dbraw/zinc/47/92/69/945479269.db2.gz BJZLHOJROCJGTG-CKEIUWERSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCN1 ZINC001246737369 945479272 /nfs/dbraw/zinc/47/92/72/945479272.db2.gz BJZLHOJROCJGTG-CKEIUWERSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCN1 ZINC001246737369 945479277 /nfs/dbraw/zinc/47/92/77/945479277.db2.gz BJZLHOJROCJGTG-CKEIUWERSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1CC[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C[NH2+]1 ZINC001246760620 945484024 /nfs/dbraw/zinc/48/40/24/945484024.db2.gz QRHNRMKLZQKWHK-YPMHNXCESA-N 1 3 317.437 0.982 20 0 DCADHO C[C@H]1CC[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C[NH2+]1 ZINC001246760494 945484825 /nfs/dbraw/zinc/48/48/25/945484825.db2.gz QRHNRMKLZQKWHK-AAEUAGOBSA-N 1 3 317.437 0.982 20 0 DCADHO Cn1cc2cccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)c2n1 ZINC001247830298 945575762 /nfs/dbraw/zinc/57/57/62/945575762.db2.gz MPTBWVWDAZQYKZ-GFCCVEGCSA-N 1 3 310.361 0.900 20 0 DCADHO O=C1CCc2cc(-c3noc(C45CNCC4C[NH2+]C5)n3)ccc21 ZINC001247849365 945575869 /nfs/dbraw/zinc/57/58/69/945575869.db2.gz BRJQQRHWOWJRFM-UHFFFAOYSA-N 1 3 310.357 0.926 20 0 DCADHO COc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1OC ZINC001247849478 945576124 /nfs/dbraw/zinc/57/61/24/945576124.db2.gz DJNZVUSUZKCEQF-UHFFFAOYSA-N 1 3 316.361 0.814 20 0 DCADHO C[C@H]([NH2+]CCOCCO)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001319819009 945672435 /nfs/dbraw/zinc/67/24/35/945672435.db2.gz IZURWKRYMLPIAL-KBPBESRZSA-N 1 3 324.425 0.178 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001487436872 945770764 /nfs/dbraw/zinc/77/07/64/945770764.db2.gz FJQVZNHUJBJTTR-TUVASFSCSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001487436872 945770773 /nfs/dbraw/zinc/77/07/73/945770773.db2.gz FJQVZNHUJBJTTR-TUVASFSCSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cncn1C)N(C)C ZINC001320545350 945919025 /nfs/dbraw/zinc/91/90/25/945919025.db2.gz WJGHJPQCYXGBNJ-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO COC[C@@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001252826376 946013384 /nfs/dbraw/zinc/01/33/84/946013384.db2.gz ZWDBNTGAGZGLGU-KRWDZBQOSA-N 1 3 307.438 0.531 20 0 DCADHO O[C@]1(CNCCn2ccnn2)CC[N@H+](Cc2ccccc2)C1 ZINC001252917689 946027789 /nfs/dbraw/zinc/02/77/89/946027789.db2.gz VKEXTAWWHFPFDF-INIZCTEOSA-N 1 3 301.394 0.505 20 0 DCADHO O[C@]1(CNCCn2ccnn2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917689 946027803 /nfs/dbraw/zinc/02/78/03/946027803.db2.gz VKEXTAWWHFPFDF-INIZCTEOSA-N 1 3 301.394 0.505 20 0 DCADHO COC(=O)CCN(CCC[NH+](C)C)CC1(O)CCOCC1 ZINC001252960749 946042535 /nfs/dbraw/zinc/04/25/35/946042535.db2.gz JZAQBVJFNGLISS-UHFFFAOYSA-N 1 3 302.415 0.345 20 0 DCADHO CC[NH+](CC)C[C@H](O)CN1CCC(C)(N2CCOCC2)CC1 ZINC001253187714 946089255 /nfs/dbraw/zinc/08/92/55/946089255.db2.gz IRTVFLRSYMCJHN-INIZCTEOSA-N 1 3 313.486 0.876 20 0 DCADHO C[C@@H](C(=O)N(C)C)N(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410247966 946090644 /nfs/dbraw/zinc/09/06/44/946090644.db2.gz LOVHELQIIKIBJL-ZDUSSCGKSA-N 1 3 312.458 0.338 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](CO)Cc1cccc(OC)c1 ZINC001253211036 946096477 /nfs/dbraw/zinc/09/64/77/946096477.db2.gz SFGWJHYBYJSLHI-HZPDHXFCSA-N 1 3 310.438 0.891 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001410327247 946196228 /nfs/dbraw/zinc/19/62/28/946196228.db2.gz USCZIPRTECECHI-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCCF)C2)CC[N@@H+]1C ZINC001273307579 946460778 /nfs/dbraw/zinc/46/07/78/946460778.db2.gz ARIPOGKZDUAUEX-MELADBBJSA-N 1 3 301.406 0.503 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCCF)C2)CC[N@H+]1C ZINC001273307579 946460784 /nfs/dbraw/zinc/46/07/84/946460784.db2.gz ARIPOGKZDUAUEX-MELADBBJSA-N 1 3 301.406 0.503 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)N1CCCCC1 ZINC001321851498 946485664 /nfs/dbraw/zinc/48/56/64/946485664.db2.gz YKHSVNQYVHDAHM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCc1ccnn1C ZINC001410503784 946494045 /nfs/dbraw/zinc/49/40/45/946494045.db2.gz VMYCWVLZQMMDFA-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001410512370 946507194 /nfs/dbraw/zinc/50/71/94/946507194.db2.gz NXYXMEGEOXDOGN-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[NH+]1CCC(CN2CCC[C@@H]2C(=O)NCC(=O)OC)CC1 ZINC001462352538 1013067053 /nfs/dbraw/zinc/06/70/53/1013067053.db2.gz ANGNVTLVZUFIIW-CQSZACIVSA-N 1 3 311.426 0.472 20 0 DCADHO CN(CCC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001322443277 946680172 /nfs/dbraw/zinc/68/01/72/946680172.db2.gz WEBCDCSCATUXGB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001410654262 946719087 /nfs/dbraw/zinc/71/90/87/946719087.db2.gz WUDKXYJTVRWKGZ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCC[NH2+]Cc1ccnn1C)C(=O)[C@@H]1CCCCN1C ZINC001322571828 946729614 /nfs/dbraw/zinc/72/96/14/946729614.db2.gz ZXXSEZVULJFTPG-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H]([N@H+](C)C[C@H](C)CN)C[C@H]1C(=O)OC ZINC001257725205 946759460 /nfs/dbraw/zinc/75/94/60/946759460.db2.gz BIHSTYQCNLQTLA-FDYHWXHSSA-N 1 3 300.399 0.644 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](C)CN)C[C@H]1C(=O)OC ZINC001257725205 946759464 /nfs/dbraw/zinc/75/94/64/946759464.db2.gz BIHSTYQCNLQTLA-FDYHWXHSSA-N 1 3 300.399 0.644 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](N(C)C[C@H](C)C[NH3+])C[C@H]1C(=O)OC ZINC001257725205 946759468 /nfs/dbraw/zinc/75/94/68/946759468.db2.gz BIHSTYQCNLQTLA-FDYHWXHSSA-N 1 3 300.399 0.644 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001410851563 947028713 /nfs/dbraw/zinc/02/87/13/947028713.db2.gz ATXCMNYYZFUHST-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C[C@H]1C ZINC001410850644 947030104 /nfs/dbraw/zinc/03/01/04/947030104.db2.gz ABTSFYRDCBDMSU-DGCLKSJQSA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C[C@H]1C ZINC001410850644 947030116 /nfs/dbraw/zinc/03/01/16/947030116.db2.gz ABTSFYRDCBDMSU-DGCLKSJQSA-N 1 3 308.430 0.534 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001410952306 947160232 /nfs/dbraw/zinc/16/02/32/947160232.db2.gz IVCPDJQLLCCTCD-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]([NH2+]C[C@H](O)COC)C(C)(C)C1)N(C)C ZINC001411002057 947219744 /nfs/dbraw/zinc/21/97/44/947219744.db2.gz ZXINFRGXLOPHPP-MJBXVCDLSA-N 1 3 315.458 0.161 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262064282 947545740 /nfs/dbraw/zinc/54/57/40/947545740.db2.gz WMCUOUBJGFFWHZ-LJISPDSOSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001411288236 947594569 /nfs/dbraw/zinc/59/45/69/947594569.db2.gz ZQKAGPBXXSCXTB-NRXISQOPSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc3c(n2)CNCC3)O1 ZINC001170270100 947614419 /nfs/dbraw/zinc/61/44/19/947614419.db2.gz FLQIDCKTRWABJF-MCIONIFRSA-N 1 3 307.398 0.259 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)CNCC[NH3+])c(C)c2)CC1 ZINC001263102837 947807454 /nfs/dbraw/zinc/80/74/54/947807454.db2.gz GNNHUIMKWRAWSF-UHFFFAOYSA-N 1 3 319.453 0.624 20 0 DCADHO C[NH+](C)CCOCCNC(=O)[C@H](N)Cc1ccc2cc[nH]c2c1 ZINC001263116575 947810077 /nfs/dbraw/zinc/81/00/77/947810077.db2.gz BXTBLWQEGBYOJG-OAHLLOKOSA-N 1 3 318.421 0.732 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001179546416 947867581 /nfs/dbraw/zinc/86/75/81/947867581.db2.gz PACCMONKJZJQMO-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+]CC2CCCC2)C1 ZINC001326092380 948051403 /nfs/dbraw/zinc/05/14/03/948051403.db2.gz XJIHYAABHLKANB-OAHLLOKOSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@H](C(=O)N(CCO)CCNCCF)[NH+]1CCCCCC1 ZINC001326102739 948054082 /nfs/dbraw/zinc/05/40/82/948054082.db2.gz JXARLCQXLMTVTR-CQSZACIVSA-N 1 3 303.422 0.631 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001327943131 948670438 /nfs/dbraw/zinc/67/04/38/948670438.db2.gz ZCHFHSFLYQYMRO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001488793277 949245908 /nfs/dbraw/zinc/24/59/08/949245908.db2.gz YXHGVKPTRCTHPL-MCIONIFRSA-N 1 3 306.410 0.782 20 0 DCADHO COCC[N@@H+]1CCN(C[C@@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001364445843 949314799 /nfs/dbraw/zinc/31/47/99/949314799.db2.gz VDODKTDHUOEPFN-INIZCTEOSA-N 1 3 313.486 0.997 20 0 DCADHO COCC[N@H+]1CCN(C[C@@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001364445843 949314818 /nfs/dbraw/zinc/31/48/18/949314818.db2.gz VDODKTDHUOEPFN-INIZCTEOSA-N 1 3 313.486 0.997 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001488880681 949344463 /nfs/dbraw/zinc/34/44/63/949344463.db2.gz UUPJFUYXHGABJQ-CTYIDZIISA-N 1 3 307.442 0.745 20 0 DCADHO COCCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265963786 950197811 /nfs/dbraw/zinc/19/78/11/950197811.db2.gz LIJOKVGKAXVNKP-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001266032225 950275125 /nfs/dbraw/zinc/27/51/25/950275125.db2.gz TWOJEIZFESRYBR-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CCOCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001330358228 950304377 /nfs/dbraw/zinc/30/43/77/950304377.db2.gz BEXZBAGNUBIBLS-QKDCVEJESA-N 1 3 320.437 0.981 20 0 DCADHO CCOCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001330358228 950304398 /nfs/dbraw/zinc/30/43/98/950304398.db2.gz BEXZBAGNUBIBLS-QKDCVEJESA-N 1 3 320.437 0.981 20 0 DCADHO O=C1CC[C@@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC000702640016 950332816 /nfs/dbraw/zinc/33/28/16/950332816.db2.gz ICFNBPJXXZRJTK-DOTOQJQBSA-N 1 3 303.406 0.492 20 0 DCADHO O=C1CC[C@@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000702640016 950332839 /nfs/dbraw/zinc/33/28/39/950332839.db2.gz ICFNBPJXXZRJTK-DOTOQJQBSA-N 1 3 303.406 0.492 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC1=CC[N@H+](C[C@@H](C)O)CC1 ZINC001279573823 950627255 /nfs/dbraw/zinc/62/72/55/950627255.db2.gz ILGIEWOLYILYNP-HIFRSBDPSA-N 1 3 315.433 0.795 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC1=CC[N@@H+](C[C@@H](C)O)CC1 ZINC001279573823 950627268 /nfs/dbraw/zinc/62/72/68/950627268.db2.gz ILGIEWOLYILYNP-HIFRSBDPSA-N 1 3 315.433 0.795 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001280307535 950809021 /nfs/dbraw/zinc/80/90/21/950809021.db2.gz MHQGKEXSUTYJOK-CQSZACIVSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2cncn2C)C2CC2)C1 ZINC001490711720 951026890 /nfs/dbraw/zinc/02/68/90/951026890.db2.gz ZZVIILGQXJCIFL-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2cncn2C)C2CC2)C1 ZINC001490711718 951027728 /nfs/dbraw/zinc/02/77/28/951027728.db2.gz ZZVIILGQXJCIFL-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001331519949 951153617 /nfs/dbraw/zinc/15/36/17/951153617.db2.gz ZOMVJWPLFMCPMD-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001331563806 951175182 /nfs/dbraw/zinc/17/51/82/951175182.db2.gz IBLVVVAPKRNYFB-NSHDSACASA-N 1 3 320.397 0.713 20 0 DCADHO CN(Cc1nc[nH]n1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001365559229 951264388 /nfs/dbraw/zinc/26/43/88/951264388.db2.gz MZCYZVMFGSJROF-GFCCVEGCSA-N 1 3 321.429 0.115 20 0 DCADHO CN(Cc1nc[nH]n1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001365559229 951264395 /nfs/dbraw/zinc/26/43/95/951264395.db2.gz MZCYZVMFGSJROF-GFCCVEGCSA-N 1 3 321.429 0.115 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001332154900 951500469 /nfs/dbraw/zinc/50/04/69/951500469.db2.gz GOLSZANUXYTKHG-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC001332330777 951590477 /nfs/dbraw/zinc/59/04/77/951590477.db2.gz GRIMRXJITFQYNS-OKILXGFUSA-N 1 3 322.453 0.317 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001365856950 951620898 /nfs/dbraw/zinc/62/08/98/951620898.db2.gz HAHGVDDETFSMNO-SOUVJXGZSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CC2(C1)CN(C(=O)c1ccc(N3CC[NH+](C)CC3)cn1)C2 ZINC001274664018 951775544 /nfs/dbraw/zinc/77/55/44/951775544.db2.gz IYHMAUVJVFHXRV-UHFFFAOYSA-N 1 3 315.421 0.221 20 0 DCADHO COC(=O)CCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001275158590 951977505 /nfs/dbraw/zinc/97/75/05/951977505.db2.gz MKVFTKWISYXNDK-STQMWFEESA-N 1 3 309.410 0.082 20 0 DCADHO COC(=O)CCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001275158590 951977513 /nfs/dbraw/zinc/97/75/13/951977513.db2.gz MKVFTKWISYXNDK-STQMWFEESA-N 1 3 309.410 0.082 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333396882 952041730 /nfs/dbraw/zinc/04/17/30/952041730.db2.gz FDZTZZDEDWAIHC-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CCCCN2C)CC1 ZINC001335727322 952590062 /nfs/dbraw/zinc/59/00/62/952590062.db2.gz NVXGEAPSLJBMEZ-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCN1CCOCC1 ZINC001275990307 952595709 /nfs/dbraw/zinc/59/57/09/952595709.db2.gz GUVMPPVKPWEFAF-ALOPSCKCSA-N 1 3 310.486 0.465 20 0 DCADHO CC(C)C[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)C ZINC001336756499 952761846 /nfs/dbraw/zinc/76/18/46/952761846.db2.gz OVCYLBNBINWJMJ-HZPDHXFCSA-N 1 3 300.491 0.161 20 0 DCADHO O=C(NCCCCC[NH+]1CCNCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001341192114 953216162 /nfs/dbraw/zinc/21/61/62/953216162.db2.gz OIGXPRMVAVVKGW-ZIAGYGMSSA-N 1 3 305.426 0.705 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC001341570933 953238227 /nfs/dbraw/zinc/23/82/27/953238227.db2.gz KHQRLYATVGXPGE-FQLMCAECSA-N 1 3 313.442 0.105 20 0 DCADHO C[NH+](C)CCOCCNC(=O)c1cccc2c1OCCNC2 ZINC001343577831 953355662 /nfs/dbraw/zinc/35/56/62/953355662.db2.gz SARHZAGAQXBOHX-UHFFFAOYSA-N 1 3 307.394 0.477 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366064221 953639594 /nfs/dbraw/zinc/63/95/94/953639594.db2.gz AONUHCWKSUFUBT-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366064221 953639598 /nfs/dbraw/zinc/63/95/98/953639598.db2.gz AONUHCWKSUFUBT-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366098223 953682324 /nfs/dbraw/zinc/68/23/24/953682324.db2.gz MTALMOCWHFSANE-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001366121526 953711656 /nfs/dbraw/zinc/71/16/56/953711656.db2.gz BMNWLPDMJMHZDG-IIAWOOMASA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001366160624 953757780 /nfs/dbraw/zinc/75/77/80/953757780.db2.gz STFNOAXAZDIQSR-CRWXNKLISA-N 1 3 320.441 0.342 20 0 DCADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001346339111 953861726 /nfs/dbraw/zinc/86/17/26/953861726.db2.gz JQNDUKZRQKWINX-CABCVRRESA-N 1 3 311.474 0.441 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001366334631 954045186 /nfs/dbraw/zinc/04/51/86/954045186.db2.gz VQGYFQOUICOMDE-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001366379785 954126605 /nfs/dbraw/zinc/12/66/05/954126605.db2.gz RWDDMEMMVPPPAK-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001366379785 954126608 /nfs/dbraw/zinc/12/66/08/954126608.db2.gz RWDDMEMMVPPPAK-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001366426507 954184031 /nfs/dbraw/zinc/18/40/31/954184031.db2.gz GOSCIBRPQJPKAJ-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001366426507 954184032 /nfs/dbraw/zinc/18/40/32/954184032.db2.gz GOSCIBRPQJPKAJ-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001366444150 954201717 /nfs/dbraw/zinc/20/17/17/954201717.db2.gz OUQTXXBLRHBWKC-KKUMJFAQSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001366444150 954201729 /nfs/dbraw/zinc/20/17/29/954201729.db2.gz OUQTXXBLRHBWKC-KKUMJFAQSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCOCC(F)F)CCN1C(=O)CN1CCCC1 ZINC001283937805 954729207 /nfs/dbraw/zinc/72/92/07/954729207.db2.gz DWTSPRODFLWLEO-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001366771357 954812378 /nfs/dbraw/zinc/81/23/78/954812378.db2.gz DJUPHRYLAIJQPE-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](F)CCN1CCN(CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001366857935 954943879 /nfs/dbraw/zinc/94/38/79/954943879.db2.gz GVCGCYYIBCOFOA-HNNXBMFYSA-N 1 3 316.465 0.762 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCC(F)(F)F)N(C)C ZINC001284456725 955107820 /nfs/dbraw/zinc/10/78/20/955107820.db2.gz NTGFTWXMMHNSSA-MNOVXSKESA-N 1 3 313.364 0.688 20 0 DCADHO CCCN(C)CC(=O)NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001366986457 955157768 /nfs/dbraw/zinc/15/77/68/955157768.db2.gz RZKZYBRVIPXSIE-DOTOQJQBSA-N 1 3 309.454 0.803 20 0 DCADHO CN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CCN(CCCO)C1 ZINC001367053896 955267394 /nfs/dbraw/zinc/26/73/94/955267394.db2.gz PRARNTVHRAUGKT-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cnns1 ZINC001367239043 955504700 /nfs/dbraw/zinc/50/47/00/955504700.db2.gz DTFWDTHZLOGZGD-LLVKDONJSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCCNC1=O ZINC001367242175 955510990 /nfs/dbraw/zinc/51/09/90/955510990.db2.gz KGMCFQDIHDFVGL-GXTWGEPZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNCc1cn(C)nn1 ZINC001367252107 955531378 /nfs/dbraw/zinc/53/13/78/955531378.db2.gz ZZRWNAIHKRSZCM-HIFRSBDPSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNCc1cn(C)nn1 ZINC001367252107 955531390 /nfs/dbraw/zinc/53/13/90/955531390.db2.gz ZZRWNAIHKRSZCM-HIFRSBDPSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)(C(=O)NCC1([NH2+]CC(N)=O)CCCC1)N1CCCC1 ZINC001367331742 955653584 /nfs/dbraw/zinc/65/35/84/955653584.db2.gz QUMDTCQJIANXCE-UHFFFAOYSA-N 1 3 310.442 0.365 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001285585132 955814747 /nfs/dbraw/zinc/81/47/47/955814747.db2.gz KVQUCYLPBXDFTF-LFAOLKIESA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001353279089 955999738 /nfs/dbraw/zinc/99/97/38/955999738.db2.gz TVKBRKSHWOSRRU-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H]([NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001100404853 956197305 /nfs/dbraw/zinc/19/73/05/956197305.db2.gz XQTQEHFMRMCVTB-BPCQOVAHSA-N 1 3 310.442 0.219 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001367396105 957767445 /nfs/dbraw/zinc/76/74/45/957767445.db2.gz KOBSYAZTJGRSPX-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001367404993 957777502 /nfs/dbraw/zinc/77/75/02/957777502.db2.gz MRHYGGQWWNBPQX-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001446976937 1013161316 /nfs/dbraw/zinc/16/13/16/1013161316.db2.gz ZRUYYYMXHZRVRX-QWHCGFSZSA-N 1 3 321.425 0.161 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C)N(C)C ZINC001367591620 958139071 /nfs/dbraw/zinc/13/90/71/958139071.db2.gz BZUWLZHKSXYGRK-HZPDHXFCSA-N 1 3 307.438 0.902 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC1CCCCC1 ZINC001367630307 958224200 /nfs/dbraw/zinc/22/42/00/958224200.db2.gz YZFVDAWDGRQPHJ-CQSZACIVSA-N 1 3 308.426 0.908 20 0 DCADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001361742336 958275255 /nfs/dbraw/zinc/27/52/55/958275255.db2.gz DYNJYIPIADQRJL-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@H](C[NH2+]CC(N)=O)NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001367674320 958332873 /nfs/dbraw/zinc/33/28/73/958332873.db2.gz CAIDINNFIDWRTB-SECBINFHSA-N 1 3 302.334 0.134 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001367759225 958517256 /nfs/dbraw/zinc/51/72/56/958517256.db2.gz GDHQDUHNDMAAOV-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N[C@H](C)C(N)=O ZINC001376773230 958796630 /nfs/dbraw/zinc/79/66/30/958796630.db2.gz KFCHJQNBGMNKRW-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001362134439 958799286 /nfs/dbraw/zinc/79/92/86/958799286.db2.gz JQUOZICHPWHWFJ-XHSDSOJGSA-N 1 3 310.486 0.859 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001362134439 958799303 /nfs/dbraw/zinc/79/93/03/958799303.db2.gz JQUOZICHPWHWFJ-XHSDSOJGSA-N 1 3 310.486 0.859 20 0 DCADHO CCN(C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001491578403 958871340 /nfs/dbraw/zinc/87/13/40/958871340.db2.gz DXPNAZQNWOJPOO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001376945301 959186255 /nfs/dbraw/zinc/18/62/55/959186255.db2.gz UYCRINRQQSJXPB-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376967330 959222721 /nfs/dbraw/zinc/22/27/21/959222721.db2.gz SUVFQYUYHACXRM-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368162001 959371985 /nfs/dbraw/zinc/37/19/85/959371985.db2.gz HOQSWYUDPDKLQM-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCO[C@@H]2CC2(F)F)CC[N@@H+]1C ZINC001377158785 959592217 /nfs/dbraw/zinc/59/22/17/959592217.db2.gz AVLDJHMDXODRRQ-JHJVBQTASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCO[C@@H]2CC2(F)F)CC[N@H+]1C ZINC001377158785 959592231 /nfs/dbraw/zinc/59/22/31/959592231.db2.gz AVLDJHMDXODRRQ-JHJVBQTASA-N 1 3 319.396 0.799 20 0 DCADHO CC(C)[C@H](C(=O)NCCN1CCC([NH2+]CCF)CC1)N(C)C ZINC001368360310 959731187 /nfs/dbraw/zinc/73/11/87/959731187.db2.gz LOKVMFJRBYBXKN-OAHLLOKOSA-N 1 3 316.465 0.712 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001362634100 959734167 /nfs/dbraw/zinc/73/41/67/959734167.db2.gz OQUMXOQUCTXXKX-SJORKVTESA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001368427162 959846726 /nfs/dbraw/zinc/84/67/26/959846726.db2.gz WRABZNLKMXNYAO-DGCLKSJQSA-N 1 3 307.398 0.044 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC001368668940 960143418 /nfs/dbraw/zinc/14/34/18/960143418.db2.gz CFCLHAUFQMFGJF-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC001368668940 960143427 /nfs/dbraw/zinc/14/34/27/960143427.db2.gz CFCLHAUFQMFGJF-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001368737957 960212767 /nfs/dbraw/zinc/21/27/67/960212767.db2.gz UPYHERBDNGEXGV-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001368744447 960219256 /nfs/dbraw/zinc/21/92/56/960219256.db2.gz QQXMGQPWGZJMQO-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001368749097 960221784 /nfs/dbraw/zinc/22/17/84/960221784.db2.gz MNGXWSDRHSTTNQ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368749097 960221795 /nfs/dbraw/zinc/22/17/95/960221795.db2.gz MNGXWSDRHSTTNQ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001368782538 960259623 /nfs/dbraw/zinc/25/96/23/960259623.db2.gz ASGGMFWYIKCMJX-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cncn1 ZINC001368793622 960278294 /nfs/dbraw/zinc/27/82/94/960278294.db2.gz UYOZLKNYXKAZIR-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cncn1 ZINC001368793622 960278297 /nfs/dbraw/zinc/27/82/97/960278297.db2.gz UYOZLKNYXKAZIR-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001377580503 960312728 /nfs/dbraw/zinc/31/27/28/960312728.db2.gz MCXWQATUFNZNJW-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO Cn1cncc1CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001377718604 960496182 /nfs/dbraw/zinc/49/61/82/960496182.db2.gz JFPNWNCISUKSRP-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cncc1CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001377718604 960496189 /nfs/dbraw/zinc/49/61/89/960496189.db2.gz JFPNWNCISUKSRP-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001378298759 960530944 /nfs/dbraw/zinc/53/09/44/960530944.db2.gz KOYPBFPMXRTQCR-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC1 ZINC001378411758 960719667 /nfs/dbraw/zinc/71/96/67/960719667.db2.gz IZQVSQMXHCPDAP-QGZVFWFLSA-N 1 3 324.469 0.467 20 0 DCADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363260154 960723764 /nfs/dbraw/zinc/72/37/64/960723764.db2.gz PVHYZDYXLWNONA-CAOSSQGBSA-N 1 3 307.438 0.671 20 0 DCADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363260154 960723774 /nfs/dbraw/zinc/72/37/74/960723774.db2.gz PVHYZDYXLWNONA-CAOSSQGBSA-N 1 3 307.438 0.671 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377833829 960767627 /nfs/dbraw/zinc/76/76/27/960767627.db2.gz JUXCVWVSFQBMGT-OLZOCXBDSA-N 1 3 322.457 0.672 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001378507785 960896375 /nfs/dbraw/zinc/89/63/75/960896375.db2.gz MOEVRYMBCUQZRC-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001430203804 1013241739 /nfs/dbraw/zinc/24/17/39/1013241739.db2.gz BLLAMKDJYBVCNB-AWEZNQCLSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CCCC1)N(C)C ZINC001378706766 961318985 /nfs/dbraw/zinc/31/89/85/961318985.db2.gz BRGGVOWVSKAPAT-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC001549046857 1013245772 /nfs/dbraw/zinc/24/57/72/1013245772.db2.gz VEIXAHJFQMTQPL-HUUCEWRRSA-N 1 3 324.469 0.323 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC001363534304 961381532 /nfs/dbraw/zinc/38/15/32/961381532.db2.gz VYVKETJMBOXIIG-LSDHHAIUSA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC001363534304 961381545 /nfs/dbraw/zinc/38/15/45/961381545.db2.gz VYVKETJMBOXIIG-LSDHHAIUSA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001378858363 961613024 /nfs/dbraw/zinc/61/30/24/961613024.db2.gz OKVZSDRXNOFTON-STQMWFEESA-N 1 3 312.458 0.430 20 0 DCADHO CN(C)C(=O)CN(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001378935241 961730386 /nfs/dbraw/zinc/73/03/86/961730386.db2.gz QZLPMVWHKAYRAZ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C(=O)CN(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001378935241 961730413 /nfs/dbraw/zinc/73/04/13/961730413.db2.gz QZLPMVWHKAYRAZ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cnnn1C ZINC001378994951 961827070 /nfs/dbraw/zinc/82/70/70/961827070.db2.gz DYWLCRFMZWAJET-HIFRSBDPSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cnnn1C ZINC001378994951 961827081 /nfs/dbraw/zinc/82/70/81/961827081.db2.gz DYWLCRFMZWAJET-HIFRSBDPSA-N 1 3 322.457 0.387 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO)[NH+]1[C@H](C)CC[C@H]1C ZINC001363792891 961897582 /nfs/dbraw/zinc/89/75/82/961897582.db2.gz KPYQUZVVUXJWCJ-RBGFHDKUSA-N 1 3 309.454 0.915 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)N1[C@H](C)CC[C@H]1C ZINC001363792891 961897607 /nfs/dbraw/zinc/89/76/07/961897607.db2.gz KPYQUZVVUXJWCJ-RBGFHDKUSA-N 1 3 309.454 0.915 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)N1[C@H](C)CC[C@H]1C ZINC001363792891 961897623 /nfs/dbraw/zinc/89/76/23/961897623.db2.gz KPYQUZVVUXJWCJ-RBGFHDKUSA-N 1 3 309.454 0.915 20 0 DCADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001379024940 961904077 /nfs/dbraw/zinc/90/40/77/961904077.db2.gz NPWWAMCJWGLIQZ-HNNXBMFYSA-N 1 3 324.469 0.243 20 0 DCADHO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001379112534 962133558 /nfs/dbraw/zinc/13/35/58/962133558.db2.gz JUURVLCEGJPYNH-HNNXBMFYSA-N 1 3 315.458 0.116 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001379112534 962133571 /nfs/dbraw/zinc/13/35/71/962133571.db2.gz JUURVLCEGJPYNH-HNNXBMFYSA-N 1 3 315.458 0.116 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccsc1)N(C)C ZINC001379865136 962174850 /nfs/dbraw/zinc/17/48/50/962174850.db2.gz FKUWIDJQXVNIDQ-KBPBESRZSA-N 1 3 313.467 0.997 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NC)C1 ZINC001379145976 962198388 /nfs/dbraw/zinc/19/83/88/962198388.db2.gz DLAVPXNUBJIPBK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NC)C1 ZINC001379145976 962198396 /nfs/dbraw/zinc/19/83/96/962198396.db2.gz DLAVPXNUBJIPBK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cnn(C)c2)CCC1)N(C)C ZINC001447236364 1013327461 /nfs/dbraw/zinc/32/74/61/1013327461.db2.gz DQWPMXWXTCSMDP-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001379210358 962372387 /nfs/dbraw/zinc/37/23/87/962372387.db2.gz ZGQGHGYLEFADPA-MRXNPFEDSA-N 1 3 323.412 0.877 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001379218443 962389508 /nfs/dbraw/zinc/38/95/08/962389508.db2.gz IQIVTZAZBJYHFD-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001379321007 962620360 /nfs/dbraw/zinc/62/03/60/962620360.db2.gz QTEKZKYBPUVTJL-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CN2CCN1C[C@@H]2C ZINC001364235241 962726885 /nfs/dbraw/zinc/72/68/85/962726885.db2.gz LMHOGHANJCDJIP-XHSDSOJGSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001364235241 962726900 /nfs/dbraw/zinc/72/69/00/962726900.db2.gz LMHOGHANJCDJIP-XHSDSOJGSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364235241 962726927 /nfs/dbraw/zinc/72/69/27/962726927.db2.gz LMHOGHANJCDJIP-XHSDSOJGSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001380160189 962797564 /nfs/dbraw/zinc/79/75/64/962797564.db2.gz RBDJXBKKVWOTKZ-GXTWGEPZSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001380176300 962824345 /nfs/dbraw/zinc/82/43/45/962824345.db2.gz JYKCGTIWHKNHJY-ZALBZXLWSA-N 1 3 324.469 0.526 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001379412205 962868485 /nfs/dbraw/zinc/86/84/85/962868485.db2.gz CJIMMQUAJQIBGT-CBBWQLFWSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001379412205 962868502 /nfs/dbraw/zinc/86/85/02/962868502.db2.gz CJIMMQUAJQIBGT-CBBWQLFWSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001380261295 962942712 /nfs/dbraw/zinc/94/27/12/962942712.db2.gz CCWPOWZQTDRANY-QWHCGFSZSA-N 1 3 321.425 0.400 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001380284455 962989829 /nfs/dbraw/zinc/98/98/29/962989829.db2.gz JNJWQUBRSOBSQK-SOUVJXGZSA-N 1 3 315.458 0.161 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CCCC1 ZINC001380330730 963044367 /nfs/dbraw/zinc/04/43/67/963044367.db2.gz XNOQRADNKXUBHI-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCN(C)C2=O)C1 ZINC001447356546 1013392763 /nfs/dbraw/zinc/39/27/63/1013392763.db2.gz RKVDHPFPSOHCIQ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCN(C)C2=O)C1 ZINC001447356546 1013392773 /nfs/dbraw/zinc/39/27/73/1013392773.db2.gz RKVDHPFPSOHCIQ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001379517132 963110690 /nfs/dbraw/zinc/11/06/90/963110690.db2.gz QPLLWJXCXMVDTB-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379534548 963145542 /nfs/dbraw/zinc/14/55/42/963145542.db2.gz DXLKJVSBURTMBS-XUXIUFHCSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379534548 963145553 /nfs/dbraw/zinc/14/55/53/963145553.db2.gz DXLKJVSBURTMBS-XUXIUFHCSA-N 1 3 324.469 0.478 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)[C@@H]1C ZINC001379567885 963191320 /nfs/dbraw/zinc/19/13/20/963191320.db2.gz KIASGZPGOJHTQH-GOEBONIOSA-N 1 3 321.469 0.883 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001379579297 963210057 /nfs/dbraw/zinc/21/00/57/963210057.db2.gz AYCUXQCSJVJDLI-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001379579297 963210068 /nfs/dbraw/zinc/21/00/68/963210068.db2.gz AYCUXQCSJVJDLI-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@H](N2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)C1=O ZINC001380803832 963592149 /nfs/dbraw/zinc/59/21/49/963592149.db2.gz ODDQTDJEHYADFZ-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001380837241 963622447 /nfs/dbraw/zinc/62/24/47/963622447.db2.gz FTQTUPDQMLJEEP-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO NC(=O)CNC1(CNC(=O)CCC[NH+]2CCCCC2)CCC1 ZINC001380896072 963662924 /nfs/dbraw/zinc/66/29/24/963662924.db2.gz GCILSGYTQXTMQY-UHFFFAOYSA-N 1 3 310.442 0.366 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001381103188 963817256 /nfs/dbraw/zinc/81/72/56/963817256.db2.gz MCNCNPQFKRIRSU-JSGCOSHPSA-N 1 3 322.457 0.495 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001381266590 963931780 /nfs/dbraw/zinc/93/17/80/963931780.db2.gz LOSOWLDDDCURRH-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001381266590 963931787 /nfs/dbraw/zinc/93/17/87/963931787.db2.gz LOSOWLDDDCURRH-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001381337879 963980976 /nfs/dbraw/zinc/98/09/76/963980976.db2.gz ISZIKEWUTKGGRI-JXQTWKCFSA-N 1 3 312.458 0.336 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001447536548 1013459811 /nfs/dbraw/zinc/45/98/11/1013459811.db2.gz CZAIZVWCVJHDCJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCn1cccn1 ZINC001368950722 964179929 /nfs/dbraw/zinc/17/99/29/964179929.db2.gz DRMIIBHXBOVHTQ-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCn1cccn1 ZINC001368950722 964179935 /nfs/dbraw/zinc/17/99/35/964179935.db2.gz DRMIIBHXBOVHTQ-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001375266986 964186894 /nfs/dbraw/zinc/18/68/94/964186894.db2.gz DZURJDRLMVGYBP-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001375274586 964195251 /nfs/dbraw/zinc/19/52/51/964195251.db2.gz TXDOUOIIYFTMRC-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001375274586 964195259 /nfs/dbraw/zinc/19/52/59/964195259.db2.gz TXDOUOIIYFTMRC-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H](C)C(N)=O ZINC001369036160 964330543 /nfs/dbraw/zinc/33/05/43/964330543.db2.gz FKFMOJWURCYHDE-WCQYABFASA-N 1 3 309.414 0.289 20 0 DCADHO Cc1cc(C)n(CCN2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)n1 ZINC001373678572 964467217 /nfs/dbraw/zinc/46/72/17/964467217.db2.gz DHBJTESZEADFMH-INIZCTEOSA-N 1 3 321.469 0.984 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001373682188 964473428 /nfs/dbraw/zinc/47/34/28/964473428.db2.gz YJPDWRGBKYNSNX-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001369184867 964502977 /nfs/dbraw/zinc/50/29/77/964502977.db2.gz ILPLBZBSVGCHCT-CQSZACIVSA-N 1 3 324.469 0.659 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001375559518 964551261 /nfs/dbraw/zinc/55/12/61/964551261.db2.gz IFLPHFSZIOKDIB-XUXIUFHCSA-N 1 3 310.442 0.090 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001369252179 964602008 /nfs/dbraw/zinc/60/20/08/964602008.db2.gz ODQXTYPDYZCLMX-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001369267601 964624389 /nfs/dbraw/zinc/62/43/89/964624389.db2.gz WMHWOCFSRBIYKL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001375756242 964797951 /nfs/dbraw/zinc/79/79/51/964797951.db2.gz HNOZHBWQAHXQMQ-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CNCC(=O)NC1CC1)[NH+](C)C ZINC001375756194 964799459 /nfs/dbraw/zinc/79/94/59/964799459.db2.gz GKEFDKAVYMZWQS-HOCLYGCPSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001369397226 964893398 /nfs/dbraw/zinc/89/33/98/964893398.db2.gz FDRUEHLGZUFFPV-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cnc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001374078914 964986082 /nfs/dbraw/zinc/98/60/82/964986082.db2.gz PATIGTCJMGZJTL-KGLIPLIRSA-N 1 3 319.453 0.969 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001374079850 964987020 /nfs/dbraw/zinc/98/70/20/964987020.db2.gz QHSIKEVJMVOJKS-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001369580777 965191696 /nfs/dbraw/zinc/19/16/96/965191696.db2.gz CLNUAGIMOXPIQS-NRXISQOPSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001374310136 965260182 /nfs/dbraw/zinc/26/01/82/965260182.db2.gz CTERSXKUIBUTFM-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](NCC(=O)N1CCCC1)C1CC1 ZINC001376246618 965433162 /nfs/dbraw/zinc/43/31/62/965433162.db2.gz ZLDLOEFNXXARQA-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001376288930 965484950 /nfs/dbraw/zinc/48/49/50/965484950.db2.gz BRWSMTGNCIHUPJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001376288930 965484954 /nfs/dbraw/zinc/48/49/54/965484954.db2.gz BRWSMTGNCIHUPJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001376296958 965492513 /nfs/dbraw/zinc/49/25/13/965492513.db2.gz PZLQDRVEANTGSU-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376296958 965492525 /nfs/dbraw/zinc/49/25/25/965492525.db2.gz PZLQDRVEANTGSU-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376345988 965548233 /nfs/dbraw/zinc/54/82/33/965548233.db2.gz NWPFGZBMQCRZKW-STQMWFEESA-N 1 3 321.425 0.303 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001376344092 965548769 /nfs/dbraw/zinc/54/87/69/965548769.db2.gz JKJBUAONGMLTJM-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001376493502 965734344 /nfs/dbraw/zinc/73/43/44/965734344.db2.gz WWBFVRYRYQPDFC-GUTXKFCHSA-N 1 3 312.458 0.336 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001374677742 965745344 /nfs/dbraw/zinc/74/53/44/965745344.db2.gz WVTSDSWVSFGSJN-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H]([NH2+]CCN(CC)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001374721218 965812801 /nfs/dbraw/zinc/81/28/01/965812801.db2.gz FZZJVAPRTZLHPG-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001374723751 965814809 /nfs/dbraw/zinc/81/48/09/965814809.db2.gz NXTBCJUYWFKUGW-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001376550977 965819459 /nfs/dbraw/zinc/81/94/59/965819459.db2.gz YMMNEBSAMFKDCQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)N1CCCCC1 ZINC001370175429 965857130 /nfs/dbraw/zinc/85/71/30/965857130.db2.gz KVNOVTMMEDWKEW-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374754600 965868186 /nfs/dbraw/zinc/86/81/86/965868186.db2.gz OUBWLCVDFCMYEB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374754600 965868197 /nfs/dbraw/zinc/86/81/97/965868197.db2.gz OUBWLCVDFCMYEB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[C@H](NC[C@H]2CCCCN2C(=O)CC[NH+](C)C)C1=O ZINC001376602884 965879593 /nfs/dbraw/zinc/87/95/93/965879593.db2.gz LZTTYYRMXSWOIL-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001376615106 965894274 /nfs/dbraw/zinc/89/42/74/965894274.db2.gz JGRMREGDYBJDTC-XUXIUFHCSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC001374772957 965897022 /nfs/dbraw/zinc/89/70/22/965897022.db2.gz OMSHAANCQBFTHF-GJZGRUSLSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC001374772957 965897030 /nfs/dbraw/zinc/89/70/30/965897030.db2.gz OMSHAANCQBFTHF-GJZGRUSLSA-N 1 3 324.469 0.526 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001370273202 965943631 /nfs/dbraw/zinc/94/36/31/965943631.db2.gz LDBSVWGYJZABKI-GJZGRUSLSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001374870549 966062952 /nfs/dbraw/zinc/06/29/52/966062952.db2.gz BTMDFBKPRSHGHL-YUELXQCFSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001374870549 966062964 /nfs/dbraw/zinc/06/29/64/966062964.db2.gz BTMDFBKPRSHGHL-YUELXQCFSA-N 1 3 324.469 0.241 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001376729327 966076442 /nfs/dbraw/zinc/07/64/42/966076442.db2.gz FOUJIRHKYHKBQB-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001376729327 966076453 /nfs/dbraw/zinc/07/64/53/966076453.db2.gz FOUJIRHKYHKBQB-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C1CC1 ZINC001376729871 966080860 /nfs/dbraw/zinc/08/08/60/966080860.db2.gz YGNUHWOGHMIQMA-DOMZBBRYSA-N 1 3 322.453 0.043 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001374939807 966162275 /nfs/dbraw/zinc/16/22/75/966162275.db2.gz IOIBPNIGDZYRGU-RRFJBIMHSA-N 1 3 315.458 0.351 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001370518245 966204539 /nfs/dbraw/zinc/20/45/39/966204539.db2.gz OQAGENLPAQCEOV-LXTVHRRPSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(CC)C2CC2)C1)N(C)C ZINC001370550007 966234196 /nfs/dbraw/zinc/23/41/96/966234196.db2.gz VEZOGGBKNTZVRD-UMVBOHGHSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001370709843 966403190 /nfs/dbraw/zinc/40/31/90/966403190.db2.gz FLIQORSDWKUVRY-OWCLPIDISA-N 1 3 321.469 0.786 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001370835219 966524896 /nfs/dbraw/zinc/52/48/96/966524896.db2.gz HMVCSAJRKPTRDN-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001370946073 966609267 /nfs/dbraw/zinc/60/92/67/966609267.db2.gz DZEMJCGUKMMUHM-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NC1CCC([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001371072025 966704384 /nfs/dbraw/zinc/70/43/84/966704384.db2.gz IDXPFZQTGRLCNA-JXQTWKCFSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001381924164 966783501 /nfs/dbraw/zinc/78/35/01/966783501.db2.gz GAWSQDPJLILGSN-OWCLPIDISA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001381924164 966783508 /nfs/dbraw/zinc/78/35/08/966783508.db2.gz GAWSQDPJLILGSN-OWCLPIDISA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCCC1 ZINC001371177376 966784937 /nfs/dbraw/zinc/78/49/37/966784937.db2.gz IWTIBERICXTONF-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001371199786 966809403 /nfs/dbraw/zinc/80/94/03/966809403.db2.gz IYFDLJHVLQKRII-NWDGAFQWSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1cncn1C ZINC001371245248 966843103 /nfs/dbraw/zinc/84/31/03/966843103.db2.gz KDZFAEWYUOZRGU-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001382043673 966884953 /nfs/dbraw/zinc/88/49/53/966884953.db2.gz OVASJFKUNBBVFV-LSDHHAIUSA-N 1 3 322.453 0.043 20 0 DCADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001382043844 966885523 /nfs/dbraw/zinc/88/55/23/966885523.db2.gz POXIQWNJYIRLFH-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001371308732 966890348 /nfs/dbraw/zinc/89/03/48/966890348.db2.gz QFSFNUKDYZQLJV-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)N1CCCC1)[NH+](C)C ZINC001371356774 966927601 /nfs/dbraw/zinc/92/76/01/966927601.db2.gz YXSQNYYURVFDCP-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001382088307 966929849 /nfs/dbraw/zinc/92/98/49/966929849.db2.gz GCNCPIJERXKYNU-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC/C=C/Cl ZINC001371397638 966963486 /nfs/dbraw/zinc/96/34/86/966963486.db2.gz WRORZMROOWJHCP-UXONFWTHSA-N 1 3 303.834 0.944 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCCN(C)C1=O ZINC001371468122 967016534 /nfs/dbraw/zinc/01/65/34/967016534.db2.gz TZMJJXCMPXRMDS-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2nnc(C)[nH]2)C1 ZINC001371655684 967207056 /nfs/dbraw/zinc/20/70/56/967207056.db2.gz BIKBFPQWQRLBRG-ZIAGYGMSSA-N 1 3 322.457 0.972 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2nnc(C)[nH]2)C1 ZINC001371655684 967207066 /nfs/dbraw/zinc/20/70/66/967207066.db2.gz BIKBFPQWQRLBRG-ZIAGYGMSSA-N 1 3 322.457 0.972 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2nnc(C)[nH]2)C1 ZINC001371655683 967208107 /nfs/dbraw/zinc/20/81/07/967208107.db2.gz BIKBFPQWQRLBRG-UONOGXRCSA-N 1 3 322.457 0.972 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2nnc(C)[nH]2)C1 ZINC001371655683 967208116 /nfs/dbraw/zinc/20/81/16/967208116.db2.gz BIKBFPQWQRLBRG-UONOGXRCSA-N 1 3 322.457 0.972 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cncc(C)c1)N(C)C ZINC001382404384 967332998 /nfs/dbraw/zinc/33/29/98/967332998.db2.gz VXQXGDNASSRSBF-HZPDHXFCSA-N 1 3 322.453 0.639 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1C ZINC001371799258 967349742 /nfs/dbraw/zinc/34/97/42/967349742.db2.gz UUFDVPGKJKWHPD-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H]1C ZINC001371799258 967349754 /nfs/dbraw/zinc/34/97/54/967349754.db2.gz UUFDVPGKJKWHPD-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001382576034 967510139 /nfs/dbraw/zinc/51/01/39/967510139.db2.gz CQUGEOKDHHCNNT-UHFFFAOYSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001371985169 967517915 /nfs/dbraw/zinc/51/79/15/967517915.db2.gz KUNUBSLDBDLCDE-HNNXBMFYSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001372043921 967596475 /nfs/dbraw/zinc/59/64/75/967596475.db2.gz SMNNPJQJLJGEPJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001372084799 967634509 /nfs/dbraw/zinc/63/45/09/967634509.db2.gz BOIZAGSZZXQVCX-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCc1cnn(CC)c1 ZINC001372476992 968019472 /nfs/dbraw/zinc/01/94/72/968019472.db2.gz NFWBTEVHYXRXBN-MRXNPFEDSA-N 1 3 321.469 0.835 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCc1cnn(CC)c1 ZINC001372476992 968019481 /nfs/dbraw/zinc/01/94/81/968019481.db2.gz NFWBTEVHYXRXBN-MRXNPFEDSA-N 1 3 321.469 0.835 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001372992994 968606514 /nfs/dbraw/zinc/60/65/14/968606514.db2.gz PQMUYLXBXCTLEY-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001448589928 1013958598 /nfs/dbraw/zinc/95/85/98/1013958598.db2.gz DXPYBUAXWBNJOJ-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[C@@H]3CNCCO3)CC2)C1 ZINC001549049122 1014122950 /nfs/dbraw/zinc/12/29/50/1014122950.db2.gz HKYVYLHILNTSNR-KFWWJZLASA-N 1 3 311.426 0.110 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCCC2)C[C@@H]1C ZINC001449022585 1014139283 /nfs/dbraw/zinc/13/92/83/1014139283.db2.gz VYVDAHCDUMUNOR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCCC2)C[C@@H]1C ZINC001449022585 1014139280 /nfs/dbraw/zinc/13/92/80/1014139280.db2.gz VYVDAHCDUMUNOR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(C)C)C[C@H]1C ZINC001449022633 1014140368 /nfs/dbraw/zinc/14/03/68/1014140368.db2.gz VZKXYAVNMHZDFJ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(C)C)C[C@H]1C ZINC001449022633 1014140370 /nfs/dbraw/zinc/14/03/70/1014140370.db2.gz VZKXYAVNMHZDFJ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001549174570 1014163542 /nfs/dbraw/zinc/16/35/42/1014163542.db2.gz DOPIEMCAIGTBIQ-CABCVRRESA-N 1 3 302.378 0.573 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001449079155 1014172945 /nfs/dbraw/zinc/17/29/45/1014172945.db2.gz LJVPQGAYPCBJMY-KBPBESRZSA-N 1 3 324.469 0.384 20 0 DCADHO C[NH+](C)CC1(C(=O)N2C[C@H](N[C@@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC001449093429 1014184448 /nfs/dbraw/zinc/18/44/48/1014184448.db2.gz KWDFITYPUZWNAZ-OLZOCXBDSA-N 1 3 322.453 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1 ZINC001449093269 1014185601 /nfs/dbraw/zinc/18/56/01/1014185601.db2.gz SUJNBWLFQCZNPK-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(CCN(C)C[C@H](C)O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001449256819 1014357304 /nfs/dbraw/zinc/35/73/04/1014357304.db2.gz BFNUVGDMDLNDIZ-HOCLYGCPSA-N 1 3 311.470 0.878 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001449323863 1014410692 /nfs/dbraw/zinc/41/06/92/1014410692.db2.gz HBNANTGOGXEWIO-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549726281 1014427546 /nfs/dbraw/zinc/42/75/46/1014427546.db2.gz IHVCYHMTGRWWFB-GFCCVEGCSA-N 1 3 314.393 0.509 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)CN1CCCC1 ZINC001529113515 1014499500 /nfs/dbraw/zinc/49/95/00/1014499500.db2.gz DRWIQSKARSLRCT-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)CN1CCCC1 ZINC001529113515 1014499505 /nfs/dbraw/zinc/49/95/05/1014499505.db2.gz DRWIQSKARSLRCT-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)[C@H](N)C3CCOCC3)cn2)CC1 ZINC001550098169 1014567833 /nfs/dbraw/zinc/56/78/33/1014567833.db2.gz MSNABHCUCHLFPX-OAHLLOKOSA-N 1 3 321.425 0.842 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550122792 1014586300 /nfs/dbraw/zinc/58/63/00/1014586300.db2.gz KCDJMTAJSHQYOB-FPMFFAJLSA-N 1 3 304.398 0.121 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449613218 1014586845 /nfs/dbraw/zinc/58/68/45/1014586845.db2.gz UTZTUDBHLILWRV-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550122793 1014586753 /nfs/dbraw/zinc/58/67/53/1014586753.db2.gz KCDJMTAJSHQYOB-IACUBPJLSA-N 1 3 304.398 0.121 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449613218 1014586851 /nfs/dbraw/zinc/58/68/51/1014586851.db2.gz UTZTUDBHLILWRV-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001550122509 1014587915 /nfs/dbraw/zinc/58/79/15/1014587915.db2.gz HXSOXIJMQJEYTJ-KBPBESRZSA-N 1 3 318.425 0.511 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC001550199257 1014624044 /nfs/dbraw/zinc/62/40/44/1014624044.db2.gz ANHDZFOGKCHEPT-CQSZACIVSA-N 1 3 322.453 0.446 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202602 1014625921 /nfs/dbraw/zinc/62/59/21/1014625921.db2.gz OWEPESCAMRZQTO-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO N[C@@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[C@@H]1F ZINC001550270086 1014643184 /nfs/dbraw/zinc/64/31/84/1014643184.db2.gz BOJFRUIJKCNNMT-LSDHHAIUSA-N 1 3 306.385 0.913 20 0 DCADHO CC[C@H](C(=O)NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001523527310 1014714810 /nfs/dbraw/zinc/71/48/10/1014714810.db2.gz IZCJUPZAWLKISA-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001523527310 1014714820 /nfs/dbraw/zinc/71/48/20/1014714820.db2.gz IZCJUPZAWLKISA-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO Cn1nccc1[C@@H]1[C@@H](CN[C@@H]2C[NH2+]CCOC2)CCCN1C ZINC001550473894 1014718713 /nfs/dbraw/zinc/71/87/13/1014718713.db2.gz TVYJAMMPDBVQTN-FMKPAKJESA-N 1 3 307.442 0.381 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550719337 1014814723 /nfs/dbraw/zinc/81/47/23/1014814723.db2.gz FVWCCJWRTYSKMR-UGUYLWEFSA-N 1 3 301.390 0.509 20 0 DCADHO [NH3+][C@@H]1CCOC[C@H]1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001550733465 1014824043 /nfs/dbraw/zinc/82/40/43/1014824043.db2.gz HFJCAEDXNJWEGU-QLFBSQMISA-N 1 3 304.394 0.289 20 0 DCADHO [NH3+]C1(CNC(=O)N2CCNC[C@@H](O)C2)C2CC3CC(C2)CC1C3 ZINC001550735219 1014825557 /nfs/dbraw/zinc/82/55/57/1014825557.db2.gz LNHUACXMZLQPRZ-UWRLEFKFSA-N 1 3 322.453 0.116 20 0 DCADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)C[C@H]21 ZINC001550748357 1014833878 /nfs/dbraw/zinc/83/38/78/1014833878.db2.gz RQBBRTVFAKCGJW-CBBWQLFWSA-N 1 3 324.469 0.471 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001383820842 985118379 /nfs/dbraw/zinc/11/83/79/985118379.db2.gz VESZAHVNCIAKIR-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001416941102 985227598 /nfs/dbraw/zinc/22/75/98/985227598.db2.gz SCYGDXKTXCKWQC-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001450392477 1015111364 /nfs/dbraw/zinc/11/13/64/1015111364.db2.gz KWGUVQUAQLBWBT-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001450392477 1015111381 /nfs/dbraw/zinc/11/13/81/1015111381.db2.gz KWGUVQUAQLBWBT-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001384064471 985331805 /nfs/dbraw/zinc/33/18/05/985331805.db2.gz FUTOTTBVRJNQRY-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001384088187 985350748 /nfs/dbraw/zinc/35/07/48/985350748.db2.gz VJJFSONXTXJTMV-TZMCWYRMSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001384088187 985350759 /nfs/dbraw/zinc/35/07/59/985350759.db2.gz VJJFSONXTXJTMV-TZMCWYRMSA-N 1 3 321.425 0.400 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001384102323 985362594 /nfs/dbraw/zinc/36/25/94/985362594.db2.gz HLOFZRXYGYQVIM-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001384565630 985667701 /nfs/dbraw/zinc/66/77/01/985667701.db2.gz VMCLDFYWOXUXSK-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385250396 986186123 /nfs/dbraw/zinc/18/61/23/986186123.db2.gz YYUCBGSKEVBATR-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385250396 986186128 /nfs/dbraw/zinc/18/61/28/986186128.db2.gz YYUCBGSKEVBATR-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385393938 986319081 /nfs/dbraw/zinc/31/90/81/986319081.db2.gz XTVQFWYPBVGMDR-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385393938 986319085 /nfs/dbraw/zinc/31/90/85/986319085.db2.gz XTVQFWYPBVGMDR-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001385962303 986715792 /nfs/dbraw/zinc/71/57/92/986715792.db2.gz ROKGELHUADPHIP-UMVBOHGHSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001386114597 986844734 /nfs/dbraw/zinc/84/47/34/986844734.db2.gz BXTCTNSIUZLRDM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCN(C4CC4)C3)C[C@@H]2[NH3+])cn1 ZINC001552094921 1015265687 /nfs/dbraw/zinc/26/56/87/1015265687.db2.gz CSZKSCBIIGKBNC-SNPRPXQTSA-N 1 3 318.425 0.093 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386314424 987063500 /nfs/dbraw/zinc/06/35/00/987063500.db2.gz QUHJNQSLMIERDW-YIYPIFLZSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386314424 987063510 /nfs/dbraw/zinc/06/35/10/987063510.db2.gz QUHJNQSLMIERDW-YIYPIFLZSA-N 1 3 310.442 0.042 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001386313393 987065283 /nfs/dbraw/zinc/06/52/83/987065283.db2.gz DPOXNZSIBOKXRE-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001386313393 987065292 /nfs/dbraw/zinc/06/52/92/987065292.db2.gz DPOXNZSIBOKXRE-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC001552186301 1015310425 /nfs/dbraw/zinc/31/04/25/1015310425.db2.gz ILNAZPSLHANWBD-DLTWYDFYSA-N 1 3 322.453 0.620 20 0 DCADHO CN(Cc1n[nH]c([C@@H]2C[C@H](F)CN2)n1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC001552257246 1015353801 /nfs/dbraw/zinc/35/38/01/1015353801.db2.gz LBFYVAMKSHNMME-SRVKXCTJSA-N 1 3 324.404 0.525 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001387770116 988135280 /nfs/dbraw/zinc/13/52/80/988135280.db2.gz AYNVWWMWOMJCNB-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001387770116 988135282 /nfs/dbraw/zinc/13/52/82/988135282.db2.gz AYNVWWMWOMJCNB-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001387783547 988147448 /nfs/dbraw/zinc/14/74/48/988147448.db2.gz CDYPRFVYIGXLPH-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC001552311195 1015383701 /nfs/dbraw/zinc/38/37/01/1015383701.db2.gz JOGRSIZWXXXUCO-JJXSEGSLSA-N 1 3 324.469 0.974 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001388760986 988565769 /nfs/dbraw/zinc/56/57/69/988565769.db2.gz IBACLQGZMPOPIM-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CCN(C)CC1 ZINC001552437018 1015435850 /nfs/dbraw/zinc/43/58/50/1015435850.db2.gz WDKZWCNMKIRQQD-AWEZNQCLSA-N 1 3 320.441 0.759 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(CC)CC ZINC001450929422 1015458004 /nfs/dbraw/zinc/45/80/04/1015458004.db2.gz HYLVHVRYBHDHJI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(CC)CC ZINC001450929422 1015458009 /nfs/dbraw/zinc/45/80/09/1015458009.db2.gz HYLVHVRYBHDHJI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001389432613 989238581 /nfs/dbraw/zinc/23/85/81/989238581.db2.gz CWQOYGQMFVKESF-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001389432613 989238586 /nfs/dbraw/zinc/23/85/86/989238586.db2.gz CWQOYGQMFVKESF-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001389672518 989480139 /nfs/dbraw/zinc/48/01/39/989480139.db2.gz TXUQLLREOZKENU-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](N[C@@H](C)C(N)=O)C2CC2)CC1 ZINC001389689631 989492464 /nfs/dbraw/zinc/49/24/64/989492464.db2.gz JFMITEQVTZPUJU-SWLSCSKDSA-N 1 3 324.469 0.465 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001389695933 989497076 /nfs/dbraw/zinc/49/70/76/989497076.db2.gz TWEYIVKCHHVEIL-DZGCQCFKSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389695933 989497081 /nfs/dbraw/zinc/49/70/81/989497081.db2.gz TWEYIVKCHHVEIL-DZGCQCFKSA-N 1 3 305.426 0.356 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)C[C@@H]1n1ccnn1 ZINC001552679709 1015488022 /nfs/dbraw/zinc/48/80/22/1015488022.db2.gz JHGUNALDRRVKDO-KFWWJZLASA-N 1 3 312.377 0.223 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001389983608 989729089 /nfs/dbraw/zinc/72/90/89/989729089.db2.gz FWZZPDKXLIIHSK-VNHYZAJKSA-N 1 3 312.458 0.288 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001390002922 989740341 /nfs/dbraw/zinc/74/03/41/989740341.db2.gz USNVKTVPFZYEJP-FQUUOJAGSA-N 1 3 312.458 0.478 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001390088548 989810975 /nfs/dbraw/zinc/81/09/75/989810975.db2.gz YXIWDQIWTMFGBE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001390088548 989810982 /nfs/dbraw/zinc/81/09/82/989810982.db2.gz YXIWDQIWTMFGBE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001390109204 989829719 /nfs/dbraw/zinc/82/97/19/989829719.db2.gz LYQHGYDARYYOOM-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001390134616 989853269 /nfs/dbraw/zinc/85/32/69/989853269.db2.gz MLQUXAZLKMAWHQ-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001390134616 989853286 /nfs/dbraw/zinc/85/32/86/989853286.db2.gz MLQUXAZLKMAWHQ-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001390147724 989867456 /nfs/dbraw/zinc/86/74/56/989867456.db2.gz RKYNMXLAHPEQBF-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001390164410 989882468 /nfs/dbraw/zinc/88/24/68/989882468.db2.gz UBBXSTDSOLYNKU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390503844 990156510 /nfs/dbraw/zinc/15/65/10/990156510.db2.gz FRALIDKMLDTRDE-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C(C)C)[NH+](C)C ZINC001390504677 990157233 /nfs/dbraw/zinc/15/72/33/990157233.db2.gz FKCMEAMPBFXFCI-UKRRQHHQSA-N 1 3 314.474 0.534 20 0 DCADHO O=C(C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)NC1CCCC1 ZINC001390576148 990212398 /nfs/dbraw/zinc/21/23/98/990212398.db2.gz ILNHJHCVWXDMAX-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2CC)C1 ZINC001390603535 990237873 /nfs/dbraw/zinc/23/78/73/990237873.db2.gz HUDCZHXWZHUFTO-AWEZNQCLSA-N 1 3 322.457 0.578 20 0 DCADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N(C)C ZINC001390710832 990320621 /nfs/dbraw/zinc/32/06/21/990320621.db2.gz YRHVVTCMICYSDP-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)CCc1cnn(C)c1 ZINC001390826037 990415900 /nfs/dbraw/zinc/41/59/00/990415900.db2.gz PJYLNODKEFSOSF-UHFFFAOYSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCc1ccnn1C ZINC001390984994 990503419 /nfs/dbraw/zinc/50/34/19/990503419.db2.gz DKHXTSZZMHGGHP-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCc1ccnn1C ZINC001390984994 990503426 /nfs/dbraw/zinc/50/34/26/990503426.db2.gz DKHXTSZZMHGGHP-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCc1ccnn1C ZINC001390984986 990504161 /nfs/dbraw/zinc/50/41/61/990504161.db2.gz DKHXTSZZMHGGHP-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCc1ccnn1C ZINC001390984986 990504166 /nfs/dbraw/zinc/50/41/66/990504166.db2.gz DKHXTSZZMHGGHP-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2CCn2cccn2)CC1 ZINC001391064405 990554999 /nfs/dbraw/zinc/55/49/99/990554999.db2.gz OFRMREAFDLOVAG-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001451071556 1015571677 /nfs/dbraw/zinc/57/16/77/1015571677.db2.gz GLZYMFXTYGEEJQ-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001451071556 1015571682 /nfs/dbraw/zinc/57/16/82/1015571682.db2.gz GLZYMFXTYGEEJQ-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO Cn1cc(CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001391195773 990658779 /nfs/dbraw/zinc/65/87/79/990658779.db2.gz HTLIWPJUAIELKH-HNNXBMFYSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001391195773 990658781 /nfs/dbraw/zinc/65/87/81/990658781.db2.gz HTLIWPJUAIELKH-HNNXBMFYSA-N 1 3 319.453 0.495 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001391224767 990682644 /nfs/dbraw/zinc/68/26/44/990682644.db2.gz HLGACPVWXDOMAX-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001391224767 990682648 /nfs/dbraw/zinc/68/26/48/990682648.db2.gz HLGACPVWXDOMAX-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001391354003 990775168 /nfs/dbraw/zinc/77/51/68/990775168.db2.gz NKRIAYMEJQTZFT-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001391354003 990775172 /nfs/dbraw/zinc/77/51/72/990775172.db2.gz NKRIAYMEJQTZFT-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[C@H]2[C@H]1CCCN2C ZINC001553043020 1015601240 /nfs/dbraw/zinc/60/12/40/1015601240.db2.gz SHENGBVKARVLRK-QLFBSQMISA-N 1 3 319.457 0.830 20 0 DCADHO CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[C@H]2[C@H]1CCCN2C ZINC001553043020 1015601243 /nfs/dbraw/zinc/60/12/43/1015601243.db2.gz SHENGBVKARVLRK-QLFBSQMISA-N 1 3 319.457 0.830 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[C@@H]2[C@H]1CCCN2C ZINC001553043024 1015601866 /nfs/dbraw/zinc/60/18/66/1015601866.db2.gz SHENGBVKARVLRK-RBSFLKMASA-N 1 3 319.457 0.830 20 0 DCADHO CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[C@@H]2[C@H]1CCCN2C ZINC001553043024 1015601872 /nfs/dbraw/zinc/60/18/72/1015601872.db2.gz SHENGBVKARVLRK-RBSFLKMASA-N 1 3 319.457 0.830 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CN[C@H](C)C(N)=O)CC1 ZINC001391872317 991242985 /nfs/dbraw/zinc/24/29/85/991242985.db2.gz RDNXCNGTDLGMQS-UKRRQHHQSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+][C@@H](C)C(N)=O ZINC001391886884 991262769 /nfs/dbraw/zinc/26/27/69/991262769.db2.gz KQTWFDMYDKLCIG-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)CNCc1nccn1C)[NH+](C)C ZINC001391950773 991320484 /nfs/dbraw/zinc/32/04/84/991320484.db2.gz OSGQPKQEBXTSOC-DZGCQCFKSA-N 1 3 309.458 0.848 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001391953059 991322468 /nfs/dbraw/zinc/32/24/68/991322468.db2.gz WSRZOXWHBIONGQ-ZFWWWQNUSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001391953059 991322474 /nfs/dbraw/zinc/32/24/74/991322474.db2.gz WSRZOXWHBIONGQ-ZFWWWQNUSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001392081898 991475346 /nfs/dbraw/zinc/47/53/46/991475346.db2.gz YFLVOLLFMRVNGB-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392126136 991523817 /nfs/dbraw/zinc/52/38/17/991523817.db2.gz SIGJZVUFVVLTTJ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392126136 991523830 /nfs/dbraw/zinc/52/38/30/991523830.db2.gz SIGJZVUFVVLTTJ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(N)=O)CC(C)C)CC[N@@H+]1C ZINC001392150482 991550367 /nfs/dbraw/zinc/55/03/67/991550367.db2.gz ILFQZFSRAYWXJJ-HZSPNIEDSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(N)=O)CC(C)C)CC[N@H+]1C ZINC001392150482 991550378 /nfs/dbraw/zinc/55/03/78/991550378.db2.gz ILFQZFSRAYWXJJ-HZSPNIEDSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001392253157 991658586 /nfs/dbraw/zinc/65/85/86/991658586.db2.gz WHHUCQHHKBDURR-ZFWWWQNUSA-N 1 3 307.442 0.602 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001392253157 991658590 /nfs/dbraw/zinc/65/85/90/991658590.db2.gz WHHUCQHHKBDURR-ZFWWWQNUSA-N 1 3 307.442 0.602 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001392439367 991931473 /nfs/dbraw/zinc/93/14/73/991931473.db2.gz JCOHITNQLAPEDX-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001392450542 991944212 /nfs/dbraw/zinc/94/42/12/991944212.db2.gz WPFRBKNWQXWKOO-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001392510131 992025110 /nfs/dbraw/zinc/02/51/10/992025110.db2.gz DDCQKRQOEDVLLB-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001392566132 992103890 /nfs/dbraw/zinc/10/38/90/992103890.db2.gz SALXFFLSMXMEBJ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001392566132 992103894 /nfs/dbraw/zinc/10/38/94/992103894.db2.gz SALXFFLSMXMEBJ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001392601120 992144378 /nfs/dbraw/zinc/14/43/78/992144378.db2.gz FGXZOJOOYBRZDY-QWHCGFSZSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001392601519 992146808 /nfs/dbraw/zinc/14/68/08/992146808.db2.gz VXUHGTOSLNVAJM-KCQAQPDRSA-N 1 3 322.457 0.446 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001392724054 992320498 /nfs/dbraw/zinc/32/04/98/992320498.db2.gz FCSCQYYMTORIAV-ZIAGYGMSSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001392724054 992320509 /nfs/dbraw/zinc/32/05/09/992320509.db2.gz FCSCQYYMTORIAV-ZIAGYGMSSA-N 1 3 322.457 0.542 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392726725 992325772 /nfs/dbraw/zinc/32/57/72/992325772.db2.gz SMAONCPEPRHQBG-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392726725 992325781 /nfs/dbraw/zinc/32/57/81/992325781.db2.gz SMAONCPEPRHQBG-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001393051234 992651822 /nfs/dbraw/zinc/65/18/22/992651822.db2.gz RLVVRJKZZGMAFZ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001393055259 992654867 /nfs/dbraw/zinc/65/48/67/992654867.db2.gz OLYWLJCCEBLKFD-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001393055259 992654871 /nfs/dbraw/zinc/65/48/71/992654871.db2.gz OLYWLJCCEBLKFD-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNCC(=O)NC)[NH+](CC)CC ZINC001393059390 992658151 /nfs/dbraw/zinc/65/81/51/992658151.db2.gz WOGNXQWYQFHETM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@]1(C[NH2+]C[C@@H]2CCOC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393168388 992725087 /nfs/dbraw/zinc/72/50/87/992725087.db2.gz WQUZNAPCSQFZBQ-XJKSGUPXSA-N 1 3 306.410 0.817 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001393249296 992788104 /nfs/dbraw/zinc/78/81/04/992788104.db2.gz LOYZIANEVXJUFM-GOEBONIOSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001393249296 992788110 /nfs/dbraw/zinc/78/81/10/992788110.db2.gz LOYZIANEVXJUFM-GOEBONIOSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393393646 992940946 /nfs/dbraw/zinc/94/09/46/992940946.db2.gz FLACDZFIAKYHAL-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001393828265 993284075 /nfs/dbraw/zinc/28/40/75/993284075.db2.gz JCOICIYGOXDVQV-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001393828265 993284081 /nfs/dbraw/zinc/28/40/81/993284081.db2.gz JCOICIYGOXDVQV-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001393969015 993381245 /nfs/dbraw/zinc/38/12/45/993381245.db2.gz AMSLYKADVKXXAG-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393996596 993400897 /nfs/dbraw/zinc/40/08/97/993400897.db2.gz MOMWHDQTUDMRSW-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO COCCN(C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001394118955 993491399 /nfs/dbraw/zinc/49/13/99/993491399.db2.gz BVLJKYMMVHOMOY-ZDUSSCGKSA-N 1 3 301.431 0.180 20 0 DCADHO CCCC[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394203648 993539262 /nfs/dbraw/zinc/53/92/62/993539262.db2.gz MPEKRDVWZQTOPT-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394203648 993539264 /nfs/dbraw/zinc/53/92/64/993539264.db2.gz MPEKRDVWZQTOPT-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001399636304 993623163 /nfs/dbraw/zinc/62/31/63/993623163.db2.gz UIOGLSHLSQDHOH-UHFFFAOYSA-N 1 3 308.426 0.275 20 0 DCADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001399636304 993623167 /nfs/dbraw/zinc/62/31/67/993623167.db2.gz UIOGLSHLSQDHOH-UHFFFAOYSA-N 1 3 308.426 0.275 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2C1 ZINC001394343875 993636347 /nfs/dbraw/zinc/63/63/47/993636347.db2.gz DWKWKIIUMWJUSR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2C1 ZINC001394343875 993636352 /nfs/dbraw/zinc/63/63/52/993636352.db2.gz DWKWKIIUMWJUSR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001394388928 993674093 /nfs/dbraw/zinc/67/40/93/993674093.db2.gz IGESTWAQQZASHY-XDQVBPFNSA-N 1 3 312.458 0.321 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001394536662 993806723 /nfs/dbraw/zinc/80/67/23/993806723.db2.gz DBSPOSWJNGZXGQ-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001399938843 993959508 /nfs/dbraw/zinc/95/95/08/993959508.db2.gz WUGYVZUYAXJBCZ-HNNXBMFYSA-N 1 3 307.442 0.661 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001399938843 993959520 /nfs/dbraw/zinc/95/95/20/993959520.db2.gz WUGYVZUYAXJBCZ-HNNXBMFYSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)C(N)=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001400078189 994136410 /nfs/dbraw/zinc/13/64/10/994136410.db2.gz FGXPSLHDJZOFMS-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001394861019 994224693 /nfs/dbraw/zinc/22/46/93/994224693.db2.gz NFUWIFDAWCKLFV-JXQTWKCFSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(=O)NC ZINC001400840691 994997045 /nfs/dbraw/zinc/99/70/45/994997045.db2.gz APELZQVYYDOVMJ-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001396477296 995421390 /nfs/dbraw/zinc/42/13/90/995421390.db2.gz IBRYAZGKPCHBPB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396477296 995421393 /nfs/dbraw/zinc/42/13/93/995421393.db2.gz IBRYAZGKPCHBPB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001397205702 995862552 /nfs/dbraw/zinc/86/25/52/995862552.db2.gz DZNANUWZUIVHKU-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001397205702 995862558 /nfs/dbraw/zinc/86/25/58/995862558.db2.gz DZNANUWZUIVHKU-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397234908 995877714 /nfs/dbraw/zinc/87/77/14/995877714.db2.gz UNIWPYZTMVWLMN-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397234908 995877717 /nfs/dbraw/zinc/87/77/17/995877717.db2.gz UNIWPYZTMVWLMN-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CCCF)C1)N(C)C ZINC001502589016 1015986138 /nfs/dbraw/zinc/98/61/38/1015986138.db2.gz LQLBOCDBGQYIPL-ZFWWWQNUSA-N 1 3 303.422 0.629 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397651887 996117766 /nfs/dbraw/zinc/11/77/66/996117766.db2.gz GJSWZONKGIUYEO-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397651887 996117771 /nfs/dbraw/zinc/11/77/71/996117771.db2.gz GJSWZONKGIUYEO-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001398457283 996526600 /nfs/dbraw/zinc/52/66/00/996526600.db2.gz NMRJYJKSDGDECK-JKSUJKDBSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001398457283 996526603 /nfs/dbraw/zinc/52/66/03/996526603.db2.gz NMRJYJKSDGDECK-JKSUJKDBSA-N 1 3 317.437 0.721 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001398473363 996533978 /nfs/dbraw/zinc/53/39/78/996533978.db2.gz YLRGQEDSJBRIKR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001398473363 996533980 /nfs/dbraw/zinc/53/39/80/996533980.db2.gz YLRGQEDSJBRIKR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001398524865 996552927 /nfs/dbraw/zinc/55/29/27/996552927.db2.gz YPGKGUOXYWIAOI-HZSPNIEDSA-N 1 3 312.458 0.240 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398599651 996597497 /nfs/dbraw/zinc/59/74/97/996597497.db2.gz XZAZXWUGTXBYOE-HNNXBMFYSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001398599651 996597498 /nfs/dbraw/zinc/59/74/98/996597498.db2.gz XZAZXWUGTXBYOE-HNNXBMFYSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001398665316 996629155 /nfs/dbraw/zinc/62/91/55/996629155.db2.gz KADLMDSRYVGFIK-OKILXGFUSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001398702632 996648456 /nfs/dbraw/zinc/64/84/56/996648456.db2.gz WJHFXQWBUBNLOW-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001398702632 996648459 /nfs/dbraw/zinc/64/84/59/996648459.db2.gz WJHFXQWBUBNLOW-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399030490 996860501 /nfs/dbraw/zinc/86/05/01/996860501.db2.gz LFTZDQKRWBTQIY-OLZOCXBDSA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399030490 996860510 /nfs/dbraw/zinc/86/05/10/996860510.db2.gz LFTZDQKRWBTQIY-OLZOCXBDSA-N 1 3 321.425 0.223 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)CC1 ZINC001399186345 997066759 /nfs/dbraw/zinc/06/67/59/997066759.db2.gz KBKWTAJUGAKBJL-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001399253596 997127872 /nfs/dbraw/zinc/12/78/72/997127872.db2.gz UECBICOJYHPDPA-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNCCF)CC1 ZINC001502869181 1016111051 /nfs/dbraw/zinc/11/10/51/1016111051.db2.gz GRUAQUBNYHVSIC-AWEZNQCLSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNCCF)CC1 ZINC001502869181 1016111054 /nfs/dbraw/zinc/11/10/54/1016111054.db2.gz GRUAQUBNYHVSIC-AWEZNQCLSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001404662145 997355496 /nfs/dbraw/zinc/35/54/96/997355496.db2.gz YTLAWMWJUPTBRA-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001404666217 997357610 /nfs/dbraw/zinc/35/76/10/997357610.db2.gz AJEJLPVAJGWGLK-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001405262317 998029446 /nfs/dbraw/zinc/02/94/46/998029446.db2.gz BUKSRKIBNARHHU-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001405562383 998330163 /nfs/dbraw/zinc/33/01/63/998330163.db2.gz IYEORAWOFRSLDT-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001507290898 1016222286 /nfs/dbraw/zinc/22/22/86/1016222286.db2.gz RHCIYLGEMBMFMS-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001405800127 998574393 /nfs/dbraw/zinc/57/43/93/998574393.db2.gz UOIZEVIDQLBVSY-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001511293463 1016249244 /nfs/dbraw/zinc/24/92/44/1016249244.db2.gz WRNRMWADNIXPJV-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNCc1cn(C)nn1 ZINC001401117546 1000206409 /nfs/dbraw/zinc/20/64/09/1000206409.db2.gz IHGOJRLIGWYRJJ-UKRRQHHQSA-N 1 3 322.457 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNCc1cn(C)nn1 ZINC001401117546 1000206411 /nfs/dbraw/zinc/20/64/11/1000206411.db2.gz IHGOJRLIGWYRJJ-UKRRQHHQSA-N 1 3 322.457 0.531 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401258174 1000315730 /nfs/dbraw/zinc/31/57/30/1000315730.db2.gz UEWVQDZGZFHQHG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401258174 1000315733 /nfs/dbraw/zinc/31/57/33/1000315733.db2.gz UEWVQDZGZFHQHG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1CNCC(N)=O ZINC001401313489 1000344835 /nfs/dbraw/zinc/34/48/35/1000344835.db2.gz SAVDVUKGFPEDLZ-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2CCn2cncn2)C1 ZINC001418636589 1000411033 /nfs/dbraw/zinc/41/10/33/1000411033.db2.gz JEXHJTBTECREKH-HUUCEWRRSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2CCn2cncn2)C1 ZINC001418636589 1000411035 /nfs/dbraw/zinc/41/10/35/1000411035.db2.gz JEXHJTBTECREKH-HUUCEWRRSA-N 1 3 320.441 0.201 20 0 DCADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1)C1CCC1 ZINC001418654376 1000422811 /nfs/dbraw/zinc/42/28/11/1000422811.db2.gz AQIIWOJCONBEBX-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)C1CCC1 ZINC001418654376 1000422813 /nfs/dbraw/zinc/42/28/13/1000422813.db2.gz AQIIWOJCONBEBX-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC[N@H+](CCc1ccnn1C)C1CC1 ZINC001418754430 1000496013 /nfs/dbraw/zinc/49/60/13/1000496013.db2.gz RXCVFQCBNOSKKJ-INIZCTEOSA-N 1 3 319.453 0.637 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](CCc1ccnn1C)C1CC1 ZINC001418754430 1000496014 /nfs/dbraw/zinc/49/60/14/1000496014.db2.gz RXCVFQCBNOSKKJ-INIZCTEOSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001401571157 1000506027 /nfs/dbraw/zinc/50/60/27/1000506027.db2.gz COIPBGCHRRWSEZ-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001401596810 1000530584 /nfs/dbraw/zinc/53/05/84/1000530584.db2.gz OPDZFRGSOCHECA-OLZOCXBDSA-N 1 3 300.447 0.145 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001401595870 1000531017 /nfs/dbraw/zinc/53/10/17/1000531017.db2.gz ONGZZVPLGOPMGH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001418832319 1000559103 /nfs/dbraw/zinc/55/91/03/1000559103.db2.gz VYQZLBZLWHJFMO-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001418832319 1000559105 /nfs/dbraw/zinc/55/91/05/1000559105.db2.gz VYQZLBZLWHJFMO-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN[C@@H]2CCN(C)C2=O)CC1 ZINC001401708492 1000646445 /nfs/dbraw/zinc/64/64/45/1000646445.db2.gz OFHZJFFWVPCNMS-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001401824146 1000761253 /nfs/dbraw/zinc/76/12/53/1000761253.db2.gz MNNXOTRINHMZIT-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001401880206 1000812371 /nfs/dbraw/zinc/81/23/71/1000812371.db2.gz VKLBLLHMJUIWOF-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505682533 1016441980 /nfs/dbraw/zinc/44/19/80/1016441980.db2.gz TWFVQVUBZPKHNT-QWHCGFSZSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N(C)C ZINC001419191810 1000866634 /nfs/dbraw/zinc/86/66/34/1000866634.db2.gz DCNDZDQGPZJEAV-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N(C)C ZINC001419191810 1000866637 /nfs/dbraw/zinc/86/66/37/1000866637.db2.gz DCNDZDQGPZJEAV-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001419194654 1000869985 /nfs/dbraw/zinc/86/99/85/1000869985.db2.gz ODOBUWBXYXLSDA-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCC1)C1CCC1 ZINC001419304906 1000961532 /nfs/dbraw/zinc/96/15/32/1000961532.db2.gz PBGLBLXGEQTJAO-AWEZNQCLSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001402046431 1000972315 /nfs/dbraw/zinc/97/23/15/1000972315.db2.gz ZQYGYWLDBZZLGS-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCCNC1=O ZINC001419320073 1000974788 /nfs/dbraw/zinc/97/47/88/1000974788.db2.gz PPPDLWHDYIIJFD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001419346027 1000990056 /nfs/dbraw/zinc/99/00/56/1000990056.db2.gz LVOVKGGQLRWZQY-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001419346027 1000990058 /nfs/dbraw/zinc/99/00/58/1000990058.db2.gz LVOVKGGQLRWZQY-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO O=C(CN1CCCC1)NCCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001419417796 1001034252 /nfs/dbraw/zinc/03/42/52/1001034252.db2.gz VNYARXVEVZMWSM-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001419421830 1001037356 /nfs/dbraw/zinc/03/73/56/1001037356.db2.gz BCELWZBOWBXCNM-MJBXVCDLSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001419469729 1001078458 /nfs/dbraw/zinc/07/84/58/1001078458.db2.gz QSIUKIHXXTWGCR-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)CC(C)(C)C ZINC001419489947 1001093040 /nfs/dbraw/zinc/09/30/40/1001093040.db2.gz HQCWLUVJUSBTFO-HZSPNIEDSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001402186737 1001094949 /nfs/dbraw/zinc/09/49/49/1001094949.db2.gz FBQSYZZHPDTCPE-BBRMVZONSA-N 1 3 312.458 0.289 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419502554 1001101966 /nfs/dbraw/zinc/10/19/66/1001101966.db2.gz RPXLLFQQTQLUBI-BETUJISGSA-N 1 3 320.441 0.377 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001419601139 1001165441 /nfs/dbraw/zinc/16/54/41/1001165441.db2.gz OXYOGAJGVZLJPJ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccnc2)C1 ZINC001402280858 1001173552 /nfs/dbraw/zinc/17/35/52/1001173552.db2.gz IXQZIQDFKGPYNG-WBVHZDCISA-N 1 3 318.421 0.229 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001402280858 1001173555 /nfs/dbraw/zinc/17/35/55/1001173555.db2.gz IXQZIQDFKGPYNG-WBVHZDCISA-N 1 3 318.421 0.229 20 0 DCADHO C[C@H](CNCc1cnnn1C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001419726648 1001254518 /nfs/dbraw/zinc/25/45/18/1001254518.db2.gz ZUBFKBQBXMUWRD-CYBMUJFWSA-N 1 3 324.473 0.730 20 0 DCADHO C[C@H](CNCc1cnnn1C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001419726648 1001254528 /nfs/dbraw/zinc/25/45/28/1001254528.db2.gz ZUBFKBQBXMUWRD-CYBMUJFWSA-N 1 3 324.473 0.730 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001402396060 1001277722 /nfs/dbraw/zinc/27/77/22/1001277722.db2.gz CDODRKCVFUYALA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001419803902 1001320325 /nfs/dbraw/zinc/32/03/25/1001320325.db2.gz IJXZRGMLZGMKHN-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001419803902 1001320334 /nfs/dbraw/zinc/32/03/34/1001320334.db2.gz IJXZRGMLZGMKHN-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H](O)CCCN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402460303 1001331832 /nfs/dbraw/zinc/33/18/32/1001331832.db2.gz HHDHZKVWSPLARY-ZBFHGGJFSA-N 1 3 315.458 0.042 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001402478347 1001345954 /nfs/dbraw/zinc/34/59/54/1001345954.db2.gz JVRMBZKMRGHPGH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001402581432 1001422096 /nfs/dbraw/zinc/42/20/96/1001422096.db2.gz ULFKBCLGJJHGPZ-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001402678100 1001468119 /nfs/dbraw/zinc/46/81/19/1001468119.db2.gz GAVUHUUPFDWCBO-DGCLKSJQSA-N 1 3 307.398 0.044 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001402723566 1001481366 /nfs/dbraw/zinc/48/13/66/1001481366.db2.gz SWGCVUSVBRMHDO-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001402794877 1001505022 /nfs/dbraw/zinc/50/50/22/1001505022.db2.gz KVOBFGLEAMUWPC-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001402794877 1001505027 /nfs/dbraw/zinc/50/50/27/1001505027.db2.gz KVOBFGLEAMUWPC-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CC[C@H](C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1)OC ZINC001402806068 1001510074 /nfs/dbraw/zinc/51/00/74/1001510074.db2.gz SBDVPOFNLNJOHQ-CQSZACIVSA-N 1 3 324.425 0.320 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001402834326 1001523454 /nfs/dbraw/zinc/52/34/54/1001523454.db2.gz OTUHEGZMMDMGOD-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001402849966 1001534588 /nfs/dbraw/zinc/53/45/88/1001534588.db2.gz DBNNLOLYMUKVLE-YNEHKIRRSA-N 1 3 300.447 0.192 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cncn1C ZINC001402897793 1001563347 /nfs/dbraw/zinc/56/33/47/1001563347.db2.gz ZCTIYUCXHLOINK-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cncn1C ZINC001402897793 1001563351 /nfs/dbraw/zinc/56/33/51/1001563351.db2.gz ZCTIYUCXHLOINK-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001402991172 1001621350 /nfs/dbraw/zinc/62/13/50/1001621350.db2.gz FQSOMZBHDOPXQU-QWHCGFSZSA-N 1 3 312.458 0.478 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCCC1 ZINC001403006934 1001628885 /nfs/dbraw/zinc/62/88/85/1001628885.db2.gz FARGRFIEQGJSNR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCCC1 ZINC001403006934 1001628887 /nfs/dbraw/zinc/62/88/87/1001628887.db2.gz FARGRFIEQGJSNR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001403061034 1001655096 /nfs/dbraw/zinc/65/50/96/1001655096.db2.gz RTUDEFPGXVLVQW-NEPJUHHUSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001403228029 1001749417 /nfs/dbraw/zinc/74/94/17/1001749417.db2.gz HOPVJDDCYYNOBY-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001419994035 1001750776 /nfs/dbraw/zinc/75/07/76/1001750776.db2.gz QZIYMSACCHWZKG-OAHLLOKOSA-N 1 3 322.453 0.616 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001419994035 1001750779 /nfs/dbraw/zinc/75/07/79/1001750779.db2.gz QZIYMSACCHWZKG-OAHLLOKOSA-N 1 3 322.453 0.616 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001420070990 1001806040 /nfs/dbraw/zinc/80/60/40/1001806040.db2.gz BHYGMDULQXTRJY-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN1CCCC1=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403332525 1001826670 /nfs/dbraw/zinc/82/66/70/1001826670.db2.gz NRIWCHOKKKPUGF-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NCC(=O)N1CCC1 ZINC001505760421 1016532459 /nfs/dbraw/zinc/53/24/59/1016532459.db2.gz KKDOOTVBPZLDHF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH2+]CC(N)=O ZINC001505760076 1016533437 /nfs/dbraw/zinc/53/34/37/1016533437.db2.gz GDRJGOZSUYEBOR-RYUDHWBXSA-N 1 3 306.410 0.330 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnc(C)s1)N(C)C ZINC001420142629 1001934786 /nfs/dbraw/zinc/93/47/86/1001934786.db2.gz FLEWXUPCMQQFAP-DGCLKSJQSA-N 1 3 314.455 0.358 20 0 DCADHO CN(CCn1cncn1)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001424709995 1001940987 /nfs/dbraw/zinc/94/09/87/1001940987.db2.gz IQDWAZPELJCVSG-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001403475866 1002009555 /nfs/dbraw/zinc/00/95/55/1002009555.db2.gz AHMLRFMTLOOUJP-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001403475866 1002009569 /nfs/dbraw/zinc/00/95/69/1002009569.db2.gz AHMLRFMTLOOUJP-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001424797454 1002036231 /nfs/dbraw/zinc/03/62/31/1002036231.db2.gz MDNRPBGFKFBYGN-NWDGAFQWSA-N 1 3 310.442 0.232 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001420232885 1002084630 /nfs/dbraw/zinc/08/46/30/1002084630.db2.gz HXLPJANUKJOXIH-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NCC(=O)NCC1CC1)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001424859401 1002101565 /nfs/dbraw/zinc/10/15/65/1002101565.db2.gz RRQNCAVMPXEQCG-CHWSQXEVSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1)N(C)C ZINC001424867333 1002107369 /nfs/dbraw/zinc/10/73/69/1002107369.db2.gz NCXOHQXMUNIVPO-SSDMNJCBSA-N 1 3 312.458 0.417 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403561613 1002143764 /nfs/dbraw/zinc/14/37/64/1002143764.db2.gz PCOOUPNFDGZDGL-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001403579795 1002166062 /nfs/dbraw/zinc/16/60/62/1002166062.db2.gz VWUIVSNIEGTBRD-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1noc(CCC[N@@H+](C)CCNC(=O)CN2CC[C@H](C)C2)n1 ZINC001420295025 1002181600 /nfs/dbraw/zinc/18/16/00/1002181600.db2.gz DSNTYKXUBZPGRE-ZDUSSCGKSA-N 1 3 323.441 0.700 20 0 DCADHO Cc1noc(CCC[N@H+](C)CCNC(=O)CN2CC[C@H](C)C2)n1 ZINC001420295025 1002181605 /nfs/dbraw/zinc/18/16/05/1002181605.db2.gz DSNTYKXUBZPGRE-ZDUSSCGKSA-N 1 3 323.441 0.700 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)N[C@@H]1CCc2ccccc21 ZINC001403695330 1002366543 /nfs/dbraw/zinc/36/65/43/1002366543.db2.gz DRYNLKYADMZYHR-GDBMZVCRSA-N 1 3 305.422 0.692 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]Cc2ccccc2)C1 ZINC001403704507 1002389712 /nfs/dbraw/zinc/38/97/12/1002389712.db2.gz QXPWLEBWJKKVNL-GDBMZVCRSA-N 1 3 305.422 0.595 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001505851807 1016616619 /nfs/dbraw/zinc/61/66/19/1016616619.db2.gz ZZSCGPQECOCXFR-CYBMUJFWSA-N 1 3 319.409 0.011 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001512304926 1016621372 /nfs/dbraw/zinc/62/13/72/1016621372.db2.gz UAFYVEYGRQIUNC-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001403737933 1002447811 /nfs/dbraw/zinc/44/78/11/1002447811.db2.gz YIRRRKSZSVYFKX-IAGOWNOFSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001403737933 1002447817 /nfs/dbraw/zinc/44/78/17/1002447817.db2.gz YIRRRKSZSVYFKX-IAGOWNOFSA-N 1 3 319.449 0.904 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001403742815 1002452541 /nfs/dbraw/zinc/45/25/41/1002452541.db2.gz JGHPYAUKVWJUQQ-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001403750540 1002464577 /nfs/dbraw/zinc/46/45/77/1002464577.db2.gz KVRNBCZSNIHZBF-KBPBESRZSA-N 1 3 315.458 0.208 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001403760341 1002480857 /nfs/dbraw/zinc/48/08/57/1002480857.db2.gz VJEFAEIQBXGUNV-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001403801133 1002543478 /nfs/dbraw/zinc/54/34/78/1002543478.db2.gz GLDAHORSYJYBNC-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)O)C[C@]2(C)C1 ZINC001425373771 1002617606 /nfs/dbraw/zinc/61/76/06/1002617606.db2.gz CODXMIOUOQZRGT-OIISXLGYSA-N 1 3 311.470 0.879 20 0 DCADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)O)C[C@]2(C)C1 ZINC001425373771 1002617609 /nfs/dbraw/zinc/61/76/09/1002617609.db2.gz CODXMIOUOQZRGT-OIISXLGYSA-N 1 3 311.470 0.879 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403876893 1002667526 /nfs/dbraw/zinc/66/75/26/1002667526.db2.gz JPXZIROQXYWFTK-JKSUJKDBSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403876893 1002667537 /nfs/dbraw/zinc/66/75/37/1002667537.db2.gz JPXZIROQXYWFTK-JKSUJKDBSA-N 1 3 320.437 0.251 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001508112332 1016659870 /nfs/dbraw/zinc/65/98/70/1016659870.db2.gz FEZXOXXDCHMEST-UHFFFAOYSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C(C)(C)C ZINC001403955052 1002793917 /nfs/dbraw/zinc/79/39/17/1002793917.db2.gz IANIEPIFXWICIY-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C(C)(C)C ZINC001403955052 1002793930 /nfs/dbraw/zinc/79/39/30/1002793930.db2.gz IANIEPIFXWICIY-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001420769565 1002932764 /nfs/dbraw/zinc/93/27/64/1002932764.db2.gz LEOICPDDDSYBNN-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001425665330 1002940069 /nfs/dbraw/zinc/94/00/69/1002940069.db2.gz JQFGDKHUETZVOL-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN(CCO[C@H]2CC2(F)F)C1 ZINC001404062953 1002961460 /nfs/dbraw/zinc/96/14/60/1002961460.db2.gz GBPLVADPHNFWSL-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO CN(CCN1CC[NH+](CCC2CC2)CC1)C(=O)[C@@H]1CCCN1C ZINC001420894510 1003100140 /nfs/dbraw/zinc/10/01/40/1003100140.db2.gz ABZCCTFISNBUMV-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001405819290 1003108051 /nfs/dbraw/zinc/10/80/51/1003108051.db2.gz VCBMKLYIPGWKJD-QWHCGFSZSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405841434 1003130550 /nfs/dbraw/zinc/13/05/50/1003130550.db2.gz HJAGOYKMDDNRGZ-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001425872399 1003202745 /nfs/dbraw/zinc/20/27/45/1003202745.db2.gz DZXALSZUPVBUPX-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001426010119 1003332326 /nfs/dbraw/zinc/33/23/26/1003332326.db2.gz NNDGHRVGYPGGNG-UONOGXRCSA-N 1 3 315.458 0.041 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001406183144 1003453539 /nfs/dbraw/zinc/45/35/39/1003453539.db2.gz MPWWMJKPUFFJRU-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001421232610 1003469043 /nfs/dbraw/zinc/46/90/43/1003469043.db2.gz OWKDIRUKOZJXSH-NVXWUHKLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@]1(C[NH2+]CC(=O)NC2CC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001421251816 1003482901 /nfs/dbraw/zinc/48/29/01/1003482901.db2.gz GPXHALPNLFPXMF-INIZCTEOSA-N 1 3 319.409 0.059 20 0 DCADHO CC[C@@H](F)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001406258572 1003538722 /nfs/dbraw/zinc/53/87/22/1003538722.db2.gz RHVAUDNLYHAOGF-CHWSQXEVSA-N 1 3 303.422 0.676 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001406334911 1003615781 /nfs/dbraw/zinc/61/57/81/1003615781.db2.gz CNAAFZJVWNGQAZ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406334911 1003615782 /nfs/dbraw/zinc/61/57/82/1003615782.db2.gz CNAAFZJVWNGQAZ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccccc1CC[NH+](C)C ZINC001406365809 1003644801 /nfs/dbraw/zinc/64/48/01/1003644801.db2.gz HUWHUXJBTYWIFL-OLZOCXBDSA-N 1 3 320.437 0.372 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001428150631 1003728811 /nfs/dbraw/zinc/72/88/11/1003728811.db2.gz AACRLWZCWCVKAZ-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001428150631 1003728815 /nfs/dbraw/zinc/72/88/15/1003728815.db2.gz AACRLWZCWCVKAZ-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001492952638 1003774954 /nfs/dbraw/zinc/77/49/54/1003774954.db2.gz KCNQNEUABHZBOE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001492952638 1003774958 /nfs/dbraw/zinc/77/49/58/1003774958.db2.gz KCNQNEUABHZBOE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406523397 1003786763 /nfs/dbraw/zinc/78/67/63/1003786763.db2.gz XJJQJHICQCOIDY-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406523397 1003786773 /nfs/dbraw/zinc/78/67/73/1003786773.db2.gz XJJQJHICQCOIDY-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001406710411 1004028133 /nfs/dbraw/zinc/02/81/33/1004028133.db2.gz WBJQRAAMITUUSN-GOEBONIOSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001406710411 1004028145 /nfs/dbraw/zinc/02/81/45/1004028145.db2.gz WBJQRAAMITUUSN-GOEBONIOSA-N 1 3 321.469 0.888 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cncn2C)C2CC2)CC[N@@H+]1C ZINC001406771342 1004079555 /nfs/dbraw/zinc/07/95/55/1004079555.db2.gz KPKRRFWWTWKNOA-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cncn2C)C2CC2)CC[N@H+]1C ZINC001406771342 1004079561 /nfs/dbraw/zinc/07/95/61/1004079561.db2.gz KPKRRFWWTWKNOA-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO CN1CC[C@H](NC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)C1=O ZINC001406782395 1004089663 /nfs/dbraw/zinc/08/96/63/1004089663.db2.gz RJOHPDNPRRDMDG-UONOGXRCSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C)N(C)C ZINC001406980888 1004282363 /nfs/dbraw/zinc/28/23/63/1004282363.db2.gz RNYUXUUEMJZVDL-QPSCCSFWSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001427389244 1004359370 /nfs/dbraw/zinc/35/93/70/1004359370.db2.gz XCSYLQPSZSRHPZ-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001427389244 1004359379 /nfs/dbraw/zinc/35/93/79/1004359379.db2.gz XCSYLQPSZSRHPZ-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001407110533 1004392664 /nfs/dbraw/zinc/39/26/64/1004392664.db2.gz UDUBWXPEKPBHMO-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001407229991 1004484352 /nfs/dbraw/zinc/48/43/52/1004484352.db2.gz LNOBMAAXLUJCJB-INIZCTEOSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](C[C@@H](C)O)CC1 ZINC001407270158 1004508321 /nfs/dbraw/zinc/50/83/21/1004508321.db2.gz MNDMXCVQDDOSMI-GFCCVEGCSA-N 1 3 308.426 0.860 20 0 DCADHO CC[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407368027 1004596518 /nfs/dbraw/zinc/59/65/18/1004596518.db2.gz PDAHDNUPISPWFI-MLGOLLRUSA-N 1 3 308.426 0.860 20 0 DCADHO CC[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407368027 1004596523 /nfs/dbraw/zinc/59/65/23/1004596523.db2.gz PDAHDNUPISPWFI-MLGOLLRUSA-N 1 3 308.426 0.860 20 0 DCADHO COCCN1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001407387075 1004615628 /nfs/dbraw/zinc/61/56/28/1004615628.db2.gz ICZFWTWGEYECKM-ZBFHGGJFSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001407387075 1004615632 /nfs/dbraw/zinc/61/56/32/1004615632.db2.gz ICZFWTWGEYECKM-ZBFHGGJFSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001407416970 1004640330 /nfs/dbraw/zinc/64/03/30/1004640330.db2.gz SJNRPOTWNXYXMW-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001407833792 1004888216 /nfs/dbraw/zinc/88/82/16/1004888216.db2.gz PQWVKLMLDXOFDZ-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001408103551 1005042356 /nfs/dbraw/zinc/04/23/56/1005042356.db2.gz QLNZYGYCESYJPR-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](F)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001408146348 1005074789 /nfs/dbraw/zinc/07/47/89/1005074789.db2.gz PINAYTUAKCITDL-KGLIPLIRSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001408197857 1005103025 /nfs/dbraw/zinc/10/30/25/1005103025.db2.gz BLRLUVXCMWTJTP-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001408210876 1005108827 /nfs/dbraw/zinc/10/88/27/1005108827.db2.gz BBLBSFUWDJYHTB-XQQFMLRXSA-N 1 3 300.447 0.288 20 0 DCADHO Cc1nc([C@@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)n[nH]1 ZINC001473555141 1016944542 /nfs/dbraw/zinc/94/45/42/1016944542.db2.gz AMNXIEXPISXJJT-CYBMUJFWSA-N 1 3 306.414 0.067 20 0 DCADHO Cc1nc([C@@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)n[nH]1 ZINC001473555141 1016944557 /nfs/dbraw/zinc/94/45/57/1016944557.db2.gz AMNXIEXPISXJJT-CYBMUJFWSA-N 1 3 306.414 0.067 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001415506549 1005549266 /nfs/dbraw/zinc/54/92/66/1005549266.db2.gz VAESHIXFGOWBPW-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415700291 1005595131 /nfs/dbraw/zinc/59/51/31/1005595131.db2.gz YMBCQBRWYDQGEL-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415700291 1005595132 /nfs/dbraw/zinc/59/51/32/1005595132.db2.gz YMBCQBRWYDQGEL-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO COCc1nc2n(n1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC001474046584 1017000375 /nfs/dbraw/zinc/00/03/75/1017000375.db2.gz HDOICTDRMDNQAX-MJBXVCDLSA-N 1 3 305.426 0.956 20 0 DCADHO COCc1nc2n(n1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC001474046584 1017000385 /nfs/dbraw/zinc/00/03/85/1017000385.db2.gz HDOICTDRMDNQAX-MJBXVCDLSA-N 1 3 305.426 0.956 20 0 DCADHO CN(CC(=O)N[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001417329192 1005821549 /nfs/dbraw/zinc/82/15/49/1005821549.db2.gz OEULZQFWRTZULS-QGZVFWFLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001417772164 1005887394 /nfs/dbraw/zinc/88/73/94/1005887394.db2.gz AGXFDLONIYQBSO-FQUUOJAGSA-N 1 3 312.458 0.192 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001418010000 1005954611 /nfs/dbraw/zinc/95/46/11/1005954611.db2.gz HPVYUOAVXCIQJR-UONOGXRCSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001434783811 1005972943 /nfs/dbraw/zinc/97/29/43/1005972943.db2.gz CLTVLOABXCAGDA-ZNMIVQPWSA-N 1 3 307.438 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccc(OC)nn2)C1 ZINC001418076069 1006009062 /nfs/dbraw/zinc/00/90/62/1006009062.db2.gz YBMIURCFMRMAKA-HDJSIYSDSA-N 1 3 321.425 0.564 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccc(OC)nn2)C1 ZINC001418076069 1006009075 /nfs/dbraw/zinc/00/90/75/1006009075.db2.gz YBMIURCFMRMAKA-HDJSIYSDSA-N 1 3 321.425 0.564 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001418109952 1006051358 /nfs/dbraw/zinc/05/13/58/1006051358.db2.gz XERFSYQXQVKAHG-REBRKWNGSA-N 1 3 324.469 0.477 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001438707981 1006056499 /nfs/dbraw/zinc/05/64/99/1006056499.db2.gz UNXLGIAENVXVBN-STQMWFEESA-N 1 3 324.469 0.419 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418146939 1006102497 /nfs/dbraw/zinc/10/24/97/1006102497.db2.gz QZJASNLSNFLADI-ZDUSSCGKSA-N 1 3 321.425 0.307 20 0 DCADHO CNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001438776491 1006108957 /nfs/dbraw/zinc/10/89/57/1006108957.db2.gz RSYCKOUACPGBGA-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]21 ZINC001418179927 1006134618 /nfs/dbraw/zinc/13/46/18/1006134618.db2.gz BVPBQYGBTSBYQQ-SBJFKYEJSA-N 1 3 315.433 0.748 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]21 ZINC001418179927 1006134624 /nfs/dbraw/zinc/13/46/24/1006134624.db2.gz BVPBQYGBTSBYQQ-SBJFKYEJSA-N 1 3 315.433 0.748 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001438829367 1006146893 /nfs/dbraw/zinc/14/68/93/1006146893.db2.gz ORQSCHOSBCPABB-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001436381297 1006152636 /nfs/dbraw/zinc/15/26/36/1006152636.db2.gz YHBKAGXRORRLNN-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001436390017 1006159458 /nfs/dbraw/zinc/15/94/58/1006159458.db2.gz KHGFTGPFQODGOL-XGUBFFRZSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCCNC1=O ZINC001418222892 1006197430 /nfs/dbraw/zinc/19/74/30/1006197430.db2.gz RELPOUISGJHBKH-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C ZINC001418228696 1006208373 /nfs/dbraw/zinc/20/83/73/1006208373.db2.gz GQUQFGGFSOYKCP-ZBFHGGJFSA-N 1 3 321.469 0.931 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=O)NC ZINC001436669661 1006249950 /nfs/dbraw/zinc/24/99/50/1006249950.db2.gz OTMBXYFVLWBJOR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(=O)NC ZINC001436669661 1006249958 /nfs/dbraw/zinc/24/99/58/1006249958.db2.gz OTMBXYFVLWBJOR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC1CCCC1 ZINC001418265706 1006271670 /nfs/dbraw/zinc/27/16/70/1006271670.db2.gz HYOAAGHWEBNDMN-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001451652419 1006342185 /nfs/dbraw/zinc/34/21/85/1006342185.db2.gz ZTJKXJCNDBLSEK-JSGCOSHPSA-N 1 3 321.425 0.400 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CCCN1C ZINC001439069425 1006431579 /nfs/dbraw/zinc/43/15/79/1006431579.db2.gz DLHRFOKSUGFDJU-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001439075413 1006438277 /nfs/dbraw/zinc/43/82/77/1006438277.db2.gz CPPMKWKNIOYBSC-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CCC[NH+]1CCCCC1 ZINC001439085192 1006453244 /nfs/dbraw/zinc/45/32/44/1006453244.db2.gz PROCNTOKFFCXER-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001439165097 1006535777 /nfs/dbraw/zinc/53/57/77/1006535777.db2.gz AYCUXQCSJVJDLI-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439165097 1006535785 /nfs/dbraw/zinc/53/57/85/1006535785.db2.gz AYCUXQCSJVJDLI-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)CN(C)CC(C)(C)C ZINC001439257439 1006630326 /nfs/dbraw/zinc/63/03/26/1006630326.db2.gz ZTTZNEPCAREXOD-ZDUSSCGKSA-N 1 3 309.458 0.992 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+]1CCCCC1)C(=O)NC1CC1 ZINC001437260993 1006779875 /nfs/dbraw/zinc/77/98/75/1006779875.db2.gz JSHQRGIUKNVSGF-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001437377661 1006904015 /nfs/dbraw/zinc/90/40/15/1006904015.db2.gz DEGKMCLJCHWVEK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nnsc1CN[C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001437416540 1006933355 /nfs/dbraw/zinc/93/33/55/1006933355.db2.gz DTKTYSQRTXQCDD-LLVKDONJSA-N 1 3 323.466 0.927 20 0 DCADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CCc1cnn(C)c1 ZINC001437596959 1007165258 /nfs/dbraw/zinc/16/52/58/1007165258.db2.gz HBUCIWCNFOGQRS-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CCc1cnn(C)c1 ZINC001437596959 1007165266 /nfs/dbraw/zinc/16/52/66/1007165266.db2.gz HBUCIWCNFOGQRS-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)N(C)C1C[NH+](CCC2CC2)C1 ZINC001439755188 1007174334 /nfs/dbraw/zinc/17/43/34/1007174334.db2.gz KCTJBIYPOVYXPR-CQSZACIVSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001452988722 1007184972 /nfs/dbraw/zinc/18/49/72/1007184972.db2.gz FZAHVZSKYHSXSN-IHRRRGAJSA-N 1 3 314.474 0.534 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(C)C ZINC001439791387 1007201959 /nfs/dbraw/zinc/20/19/59/1007201959.db2.gz UJSXRCUENCQTRF-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1)C(N)=O ZINC001439811078 1007216322 /nfs/dbraw/zinc/21/63/22/1007216322.db2.gz BJPWXBIJHXNSJA-TZMCWYRMSA-N 1 3 324.469 0.467 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC001437727826 1007324481 /nfs/dbraw/zinc/32/44/81/1007324481.db2.gz VJMYZMULNKTTKE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC001437727826 1007324495 /nfs/dbraw/zinc/32/44/95/1007324495.db2.gz VJMYZMULNKTTKE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001437807250 1007422676 /nfs/dbraw/zinc/42/26/76/1007422676.db2.gz NQEHSKCRVZTGON-JKSUJKDBSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001437807250 1007422684 /nfs/dbraw/zinc/42/26/84/1007422684.db2.gz NQEHSKCRVZTGON-JKSUJKDBSA-N 1 3 309.454 0.966 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001440109555 1007495367 /nfs/dbraw/zinc/49/53/67/1007495367.db2.gz ADNHNTUSTMDMRO-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CN(CCN1CC[NH+](CC2CC2)CC1)C(=O)CN1CCCC1 ZINC001437970003 1007542714 /nfs/dbraw/zinc/54/27/14/1007542714.db2.gz VUXBQYSAROIYPZ-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001440258113 1007620183 /nfs/dbraw/zinc/62/01/83/1007620183.db2.gz VYQNVZDIORVZPP-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001440258113 1007620190 /nfs/dbraw/zinc/62/01/90/1007620190.db2.gz VYQNVZDIORVZPP-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001440401053 1007730280 /nfs/dbraw/zinc/73/02/80/1007730280.db2.gz METWUUJXCCFMJP-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N(C)C ZINC001440580476 1007901518 /nfs/dbraw/zinc/90/15/18/1007901518.db2.gz DTAMFUCPUYJQNS-MGPQQGTHSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001440664118 1007945568 /nfs/dbraw/zinc/94/55/68/1007945568.db2.gz QQXMGQPWGZJMQO-MJBXVCDLSA-N 1 3 312.458 0.288 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001440716687 1007968713 /nfs/dbraw/zinc/96/87/13/1007968713.db2.gz UYTIHKFZUWPUTC-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](NCC(=O)N1CCCCC1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001440839778 1008058934 /nfs/dbraw/zinc/05/89/34/1008058934.db2.gz PPVGYUSQSCFVPF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NCC(=O)NC1CC1 ZINC001440853292 1008070943 /nfs/dbraw/zinc/07/09/43/1008070943.db2.gz GNHRPMNJCAYXEN-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)C[C@H]1CCc2ncnn21 ZINC001440981598 1008155538 /nfs/dbraw/zinc/15/55/38/1008155538.db2.gz DUZGGXNLNBBWRX-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C[C@H]1CCc2ncnn21 ZINC001440981598 1008155540 /nfs/dbraw/zinc/15/55/40/1008155540.db2.gz DUZGGXNLNBBWRX-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001440999021 1008169020 /nfs/dbraw/zinc/16/90/20/1008169020.db2.gz UOJJOWTUCSBFLZ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001441195853 1008264800 /nfs/dbraw/zinc/26/48/00/1008264800.db2.gz OGTMSDJXZNSXIG-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001441195853 1008264803 /nfs/dbraw/zinc/26/48/03/1008264803.db2.gz OGTMSDJXZNSXIG-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+]Cc1cnn(C)c1)C1CC1)C1CCC1 ZINC001441194824 1008264832 /nfs/dbraw/zinc/26/48/32/1008264832.db2.gz AUEWBGIWXIMWBA-INIZCTEOSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C1CN(CCCO)C1)[NH+]1CCCC1 ZINC001441209194 1008271746 /nfs/dbraw/zinc/27/17/46/1008271746.db2.gz NSOUMZQPVQURBH-GOEBONIOSA-N 1 3 311.470 0.926 20 0 DCADHO CCNC(=O)CN[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001441239803 1008286340 /nfs/dbraw/zinc/28/63/40/1008286340.db2.gz RSIGKDWOXFLERY-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441296135 1008311480 /nfs/dbraw/zinc/31/14/80/1008311480.db2.gz JGOSSKWNIVYTTP-ZIAGYGMSSA-N 1 3 322.453 0.126 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001441297877 1008312515 /nfs/dbraw/zinc/31/25/15/1008312515.db2.gz KYIRVLCVOSPSJK-CABCVRRESA-N 1 3 322.453 0.235 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001441410624 1008348602 /nfs/dbraw/zinc/34/86/02/1008348602.db2.gz DWUXJDJABCWWOZ-ZQDZILKHSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001441412425 1008348754 /nfs/dbraw/zinc/34/87/54/1008348754.db2.gz DVQMKMRBFYABCJ-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001441528349 1008390896 /nfs/dbraw/zinc/39/08/96/1008390896.db2.gz NFAUZCOCNMKCAD-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001441636750 1008433276 /nfs/dbraw/zinc/43/32/76/1008433276.db2.gz AJGDLVDONCOWND-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001441636750 1008433278 /nfs/dbraw/zinc/43/32/78/1008433278.db2.gz AJGDLVDONCOWND-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)[C@H]1C ZINC001441826208 1008524805 /nfs/dbraw/zinc/52/48/05/1008524805.db2.gz PIAMDUJFZCENSM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)[C@H]1C ZINC001441826208 1008524812 /nfs/dbraw/zinc/52/48/12/1008524812.db2.gz PIAMDUJFZCENSM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001453498422 1008536227 /nfs/dbraw/zinc/53/62/27/1008536227.db2.gz YGOLSPFNDYJLMK-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001453498422 1008536235 /nfs/dbraw/zinc/53/62/35/1008536235.db2.gz YGOLSPFNDYJLMK-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001433158195 1008562465 /nfs/dbraw/zinc/56/24/65/1008562465.db2.gz GSHNCQRSEPDIJB-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001433158195 1008562475 /nfs/dbraw/zinc/56/24/75/1008562475.db2.gz GSHNCQRSEPDIJB-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001453625116 1008622613 /nfs/dbraw/zinc/62/26/13/1008622613.db2.gz GIQNMJRTKDVEJR-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001441892334 1008626505 /nfs/dbraw/zinc/62/65/05/1008626505.db2.gz LBJVPUJPNYAQKJ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001421545750 1008709433 /nfs/dbraw/zinc/70/94/33/1008709433.db2.gz BPQXEFJJCXTACT-GJZGRUSLSA-N 1 3 321.469 0.944 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001421707194 1008967377 /nfs/dbraw/zinc/96/73/77/1008967377.db2.gz HHDUTHYLJIOHBC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001421743939 1009018522 /nfs/dbraw/zinc/01/85/22/1009018522.db2.gz GXBULRRDTGYYSR-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001421749410 1009027479 /nfs/dbraw/zinc/02/74/79/1009027479.db2.gz PLACHAWKZUBWJK-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1C ZINC001421750543 1009032065 /nfs/dbraw/zinc/03/20/65/1009032065.db2.gz BKXPVWIKJIURNN-ZFWWWQNUSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001421750543 1009032079 /nfs/dbraw/zinc/03/20/79/1009032079.db2.gz BKXPVWIKJIURNN-ZFWWWQNUSA-N 1 3 321.469 0.912 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001442166217 1009043664 /nfs/dbraw/zinc/04/36/64/1009043664.db2.gz YZHWQVBHSYIKDS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001442233455 1009118597 /nfs/dbraw/zinc/11/85/97/1009118597.db2.gz LXEJUBYXQHPNPV-UHFFFAOYSA-N 1 3 319.453 0.983 20 0 DCADHO CCc1nc([C@H](C)NC2CC(N(C)C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001442252348 1009133077 /nfs/dbraw/zinc/13/30/77/1009133077.db2.gz LQKTZRMVTBYJID-HIFPTAJRSA-N 1 3 322.457 0.959 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001421908768 1009245765 /nfs/dbraw/zinc/24/57/65/1009245765.db2.gz PWJSYGYFQWFBBQ-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C2CCC2)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001421924106 1009266838 /nfs/dbraw/zinc/26/68/38/1009266838.db2.gz CDFRXNPWHHUZNZ-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001434105935 1009570671 /nfs/dbraw/zinc/57/06/71/1009570671.db2.gz RRSJQSSFSIQHAZ-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001422243026 1009698030 /nfs/dbraw/zinc/69/80/30/1009698030.db2.gz IOEUDQRCZYSVDJ-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001422243026 1009698036 /nfs/dbraw/zinc/69/80/36/1009698036.db2.gz IOEUDQRCZYSVDJ-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCc1ccns1)[NH+](C)C ZINC001422394502 1010016150 /nfs/dbraw/zinc/01/61/50/1010016150.db2.gz BNGFULRSKVGFMW-YPMHNXCESA-N 1 3 314.455 0.296 20 0 DCADHO C[C@H](CNCc1ccccn1)NC(=O)COC1CC[NH+](C)CC1 ZINC001422580395 1010345803 /nfs/dbraw/zinc/34/58/03/1010345803.db2.gz ZSUBOVHOFPAFHD-CQSZACIVSA-N 1 3 320.437 0.787 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422589694 1010360466 /nfs/dbraw/zinc/36/04/66/1010360466.db2.gz ICZWOFDLHLNUCH-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001422673478 1010475637 /nfs/dbraw/zinc/47/56/37/1010475637.db2.gz DJQZZDAPGHUIKX-STQMWFEESA-N 1 3 322.453 0.376 20 0 DCADHO CCCC[C@H](CN[C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001422692610 1010493210 /nfs/dbraw/zinc/49/32/10/1010493210.db2.gz YLMJVTGLFBIHNM-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001422847396 1010669100 /nfs/dbraw/zinc/66/91/00/1010669100.db2.gz CGRNWPVICWRHAX-KBPBESRZSA-N 1 3 315.458 0.162 20 0 DCADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422986369 1010789578 /nfs/dbraw/zinc/78/95/78/1010789578.db2.gz WMEFJCIIPPXTDB-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422986369 1010789584 /nfs/dbraw/zinc/78/95/84/1010789584.db2.gz WMEFJCIIPPXTDB-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001422997140 1010795388 /nfs/dbraw/zinc/79/53/88/1010795388.db2.gz BXLYOUOJQXOEPS-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](CNCc1ccnn1C)C1CC1)[NH+](C)C ZINC001423008364 1010804502 /nfs/dbraw/zinc/80/45/02/1010804502.db2.gz NVGABOYPLBDSMP-CVEARBPZSA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(=O)NC ZINC001423078213 1010868103 /nfs/dbraw/zinc/86/81/03/1010868103.db2.gz GGTYLEPRJVGUSR-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001444242842 1010920583 /nfs/dbraw/zinc/92/05/83/1010920583.db2.gz BCELWZBOWBXCNM-MGPQQGTHSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423152064 1010928260 /nfs/dbraw/zinc/92/82/60/1010928260.db2.gz PBUJEKLCLCAJAF-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444308611 1010954140 /nfs/dbraw/zinc/95/41/40/1010954140.db2.gz LGIYLBAWDGHJGG-CJNGLKHVSA-N 1 3 319.453 0.604 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CC1CC(F)(F)C1)C(=O)Cc1c[nH]cn1 ZINC001423471228 1011172655 /nfs/dbraw/zinc/17/26/55/1011172655.db2.gz VZMLSNRHOVLPRA-LBPRGKRZSA-N 1 3 316.352 0.406 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001423482809 1011178656 /nfs/dbraw/zinc/17/86/56/1011178656.db2.gz UBFKWRSOWWPISB-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CNC(=O)CN(C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001444840232 1011184382 /nfs/dbraw/zinc/18/43/82/1011184382.db2.gz UYTGOCQPGGRNPK-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001423621589 1011354844 /nfs/dbraw/zinc/35/48/44/1011354844.db2.gz LMKNATDKKRKFMH-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001423638883 1011377518 /nfs/dbraw/zinc/37/75/18/1011377518.db2.gz VNPRAJSVEATWEJ-RHSMWYFYSA-N 1 3 324.469 0.420 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001423646393 1011388731 /nfs/dbraw/zinc/38/87/31/1011388731.db2.gz PTPSHIMYAXNBPS-VXGBXAGGSA-N 1 3 308.426 0.858 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC001423695707 1011429022 /nfs/dbraw/zinc/42/90/22/1011429022.db2.gz OMOXLOFOXQEPJF-UHFFFAOYSA-N 1 3 321.469 0.882 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C/C=C/Cl)C1 ZINC001423770316 1011521006 /nfs/dbraw/zinc/52/10/06/1011521006.db2.gz CVYIFCREUURLDT-ZDSVCRJJSA-N 1 3 315.845 0.776 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C/C=C/Cl)C1 ZINC001423770316 1011521020 /nfs/dbraw/zinc/52/10/20/1011521020.db2.gz CVYIFCREUURLDT-ZDSVCRJJSA-N 1 3 315.845 0.776 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001445267583 1011597837 /nfs/dbraw/zinc/59/78/37/1011597837.db2.gz AYTWVRNTUMGFBX-GOEBONIOSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001445267583 1011597850 /nfs/dbraw/zinc/59/78/50/1011597850.db2.gz AYTWVRNTUMGFBX-GOEBONIOSA-N 1 3 320.437 0.299 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445504814 1011848758 /nfs/dbraw/zinc/84/87/58/1011848758.db2.gz SVAURNVZRIQUNO-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445504814 1011848773 /nfs/dbraw/zinc/84/87/73/1011848773.db2.gz SVAURNVZRIQUNO-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553315030 1011888894 /nfs/dbraw/zinc/88/88/94/1011888894.db2.gz DXIRQDKHWPIQBK-DOMZBBRYSA-N 1 3 306.414 0.708 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001432074266 1011939163 /nfs/dbraw/zinc/93/91/63/1011939163.db2.gz OGPUUBNCTZUFCE-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001432074266 1011939177 /nfs/dbraw/zinc/93/91/77/1011939177.db2.gz OGPUUBNCTZUFCE-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)C1(N(C)C)CCC1 ZINC001432122570 1011994523 /nfs/dbraw/zinc/99/45/23/1011994523.db2.gz GRPZDQCFQGISMH-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)C1(N(C)C)CCC1 ZINC001432122570 1011994532 /nfs/dbraw/zinc/99/45/32/1011994532.db2.gz GRPZDQCFQGISMH-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCN(CCNC(=O)N2CCC[C@]23CC[NH2+]C3)CC1(C)C ZINC001553475147 1012010076 /nfs/dbraw/zinc/01/00/76/1012010076.db2.gz ASIQYOMROXPMTE-QGZVFWFLSA-N 1 3 323.485 0.550 20 0 DCADHO CN1CCN(CCNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1(C)C ZINC001553479853 1012015731 /nfs/dbraw/zinc/01/57/31/1012015731.db2.gz MBGLTBXUMDSQFK-YOEHRIQHSA-N 1 3 323.485 0.454 20 0 DCADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553493902 1012026685 /nfs/dbraw/zinc/02/66/85/1012026685.db2.gz ATGLNCGBSKUHBQ-FVPDABNVSA-N 1 3 322.453 0.510 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553497671 1012033555 /nfs/dbraw/zinc/03/35/55/1012033555.db2.gz LLVKZCMQLGDJGE-YHUYYLMFSA-N 1 3 324.469 0.745 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553511268 1012054110 /nfs/dbraw/zinc/05/41/10/1012054110.db2.gz BQCQRMAKBFAJDL-QLFBSQMISA-N 1 3 310.442 0.369 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553527401 1012076327 /nfs/dbraw/zinc/07/63/27/1012076327.db2.gz OKMKXWPZQSTQKB-QXSJWSMHSA-N 1 3 324.469 0.473 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001458757462 1012351730 /nfs/dbraw/zinc/35/17/30/1012351730.db2.gz LYWNGZDWJIUWLR-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CC(C[NH2+][C@@]2(CO)CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001424401606 1012472960 /nfs/dbraw/zinc/47/29/60/1012472960.db2.gz CVKFLBSBDYBAFA-KVULBXGLSA-N 1 3 320.437 0.941 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001424471511 1012540679 /nfs/dbraw/zinc/54/06/79/1012540679.db2.gz BFCRYTVTBVDLSC-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO O=C(N[C@@H]1COC2(CNC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC001548569027 1012726782 /nfs/dbraw/zinc/72/67/82/1012726782.db2.gz LPHGDYHSOOZEMQ-HNNXBMFYSA-N 1 3 315.417 0.555 20 0 DCADHO CN1CCC[C@H](N2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001446565558 1012837199 /nfs/dbraw/zinc/83/71/99/1012837199.db2.gz ROKJIMUXABFCMA-WMLDXEAASA-N 1 3 322.453 0.284 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCc2ccccn2)CCOCC1 ZINC001446717523 1012917551 /nfs/dbraw/zinc/91/75/51/1012917551.db2.gz VQFLULQWAVWPOI-UHFFFAOYSA-N 1 3 320.437 0.788 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC001460538475 1012931367 /nfs/dbraw/zinc/93/13/67/1012931367.db2.gz SCMUIQVHSWMSFM-DLBZAZTESA-N 1 3 313.486 0.997 20 0 DCADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[N@@H+]2C1 ZINC001548726558 1013044050 /nfs/dbraw/zinc/04/40/50/1013044050.db2.gz CBTVTBCATDZAFF-DGADGQDISA-N 1 3 307.438 0.384 20 0 DCADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[N@H+]2C1 ZINC001548726558 1013044059 /nfs/dbraw/zinc/04/40/59/1013044059.db2.gz CBTVTBCATDZAFF-DGADGQDISA-N 1 3 307.438 0.384 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001508971681 1017126527 /nfs/dbraw/zinc/12/65/27/1017126527.db2.gz CNYLBHMHOKEHPB-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]CC(N)=O)CCCCC2)C1 ZINC001506517408 1017334215 /nfs/dbraw/zinc/33/42/15/1017334215.db2.gz CMNCGNGMWONMFG-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)c1cccc2c1OCCNC2 ZINC001521490406 1017388312 /nfs/dbraw/zinc/38/83/12/1017388312.db2.gz SVXFSAZGUSAQAT-UHFFFAOYSA-N 1 3 321.421 0.867 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)c1cccc2c1OCCNC2 ZINC001521490406 1017388321 /nfs/dbraw/zinc/38/83/21/1017388321.db2.gz SVXFSAZGUSAQAT-UHFFFAOYSA-N 1 3 321.421 0.867 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001506970778 1017720220 /nfs/dbraw/zinc/72/02/20/1017720220.db2.gz SNCSCBBCTMBGLC-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001506970778 1017720232 /nfs/dbraw/zinc/72/02/32/1017720232.db2.gz SNCSCBBCTMBGLC-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H](C)C(N)=O ZINC001479844068 1017871886 /nfs/dbraw/zinc/87/18/86/1017871886.db2.gz XKVURIKQDKNHDD-GXTWGEPZSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@@H](C)C(N)=O ZINC001479856466 1017892102 /nfs/dbraw/zinc/89/21/02/1017892102.db2.gz UTFGBKGSXKONGY-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497272263 1018010582 /nfs/dbraw/zinc/01/05/82/1018010582.db2.gz QYYDTDQUSXRODB-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001497272263 1018010589 /nfs/dbraw/zinc/01/05/89/1018010589.db2.gz QYYDTDQUSXRODB-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001499920387 1018133908 /nfs/dbraw/zinc/13/39/08/1018133908.db2.gz DCAQKRQHCYYTQS-ZDUSSCGKSA-N 1 3 320.441 0.536 20 0 DCADHO CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)CC[N@@H+](C)CC)C1=O ZINC001499938951 1018143283 /nfs/dbraw/zinc/14/32/83/1018143283.db2.gz HOVIAZHIVOCMDK-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)CC[N@H+](C)CC)C1=O ZINC001499938951 1018143266 /nfs/dbraw/zinc/14/32/66/1018143266.db2.gz HOVIAZHIVOCMDK-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CCn2cncn2)C2CC2)C1 ZINC001480046045 1018156415 /nfs/dbraw/zinc/15/64/15/1018156415.db2.gz DLDXOMQGLIUNQN-ZFWWWQNUSA-N 1 3 320.441 0.104 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001497485578 1018164785 /nfs/dbraw/zinc/16/47/85/1018164785.db2.gz DTFPONNGAZVIRG-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001480173782 1018282374 /nfs/dbraw/zinc/28/23/74/1018282374.db2.gz NAFINAXEWOIQPQ-AAVRWANBSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001480233459 1018343826 /nfs/dbraw/zinc/34/38/26/1018343826.db2.gz BMNWLPDMJMHZDG-IJEWVQPXSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]CC(=O)NC1CC1 ZINC001495147376 1018349719 /nfs/dbraw/zinc/34/97/19/1018349719.db2.gz YHYDVZHNIQTLSS-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480304503 1018411994 /nfs/dbraw/zinc/41/19/94/1018411994.db2.gz YGYONFNKSZSIBN-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480301714 1018412409 /nfs/dbraw/zinc/41/24/09/1018412409.db2.gz ZVUITVCOQVULMZ-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C)C(N)=O ZINC001480366924 1018468209 /nfs/dbraw/zinc/46/82/09/1018468209.db2.gz DFYLFKVSQVQMFK-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001495392763 1018486522 /nfs/dbraw/zinc/48/65/22/1018486522.db2.gz HOTXMHINJFKIIL-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001480460634 1018554710 /nfs/dbraw/zinc/55/47/10/1018554710.db2.gz ADPMHABKCDOOCH-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)CC1CC1 ZINC001480462232 1018559215 /nfs/dbraw/zinc/55/92/15/1018559215.db2.gz HRZXGGVQPAEZFV-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)CC1CC1 ZINC001480462232 1018559225 /nfs/dbraw/zinc/55/92/25/1018559225.db2.gz HRZXGGVQPAEZFV-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCCC1 ZINC001480531390 1018632246 /nfs/dbraw/zinc/63/22/46/1018632246.db2.gz YXENBDWKGHIAGN-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495678968 1018643656 /nfs/dbraw/zinc/64/36/56/1018643656.db2.gz GBZIUWNEKZIIOO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480592164 1018690400 /nfs/dbraw/zinc/69/04/00/1018690400.db2.gz XDKKDPUZFIZBMT-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480592164 1018690405 /nfs/dbraw/zinc/69/04/05/1018690405.db2.gz XDKKDPUZFIZBMT-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001480625071 1018718719 /nfs/dbraw/zinc/71/87/19/1018718719.db2.gz ZEDDVMCVFACDPN-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CCn1cc(Cl)cn1 ZINC001498197243 1018746231 /nfs/dbraw/zinc/74/62/31/1018746231.db2.gz HMHCSSRLAHMJBT-LBPRGKRZSA-N 1 3 315.849 0.971 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001501169556 1018934740 /nfs/dbraw/zinc/93/47/40/1018934740.db2.gz ACYHTTBVJWHNDP-JONQDZQNSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001501169556 1018934752 /nfs/dbraw/zinc/93/47/52/1018934752.db2.gz ACYHTTBVJWHNDP-JONQDZQNSA-N 1 3 309.454 0.680 20 0 DCADHO Cc1cnc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001480808925 1018936002 /nfs/dbraw/zinc/93/60/02/1018936002.db2.gz QZDOVOMEUJDZBA-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001480808925 1018936015 /nfs/dbraw/zinc/93/60/15/1018936015.db2.gz QZDOVOMEUJDZBA-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO CN(C)C1(C(=O)NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001496146798 1019112298 /nfs/dbraw/zinc/11/22/98/1019112298.db2.gz CSUOZGWIEXGUHJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001496146798 1019112306 /nfs/dbraw/zinc/11/23/06/1019112306.db2.gz CSUOZGWIEXGUHJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001496156488 1019122408 /nfs/dbraw/zinc/12/24/08/1019122408.db2.gz ZLAVLDCKRBCUFR-WFASDCNBSA-N 1 3 303.422 0.628 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1CCn1cccn1 ZINC001493129960 1019123321 /nfs/dbraw/zinc/12/33/21/1019123321.db2.gz UOOJPXTUSBEQQG-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO CCn1cc(CC[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)cn1 ZINC001496170992 1019131368 /nfs/dbraw/zinc/13/13/68/1019131368.db2.gz QDIGGOJDSSCKNE-CYBMUJFWSA-N 1 3 318.425 0.848 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001496192675 1019150733 /nfs/dbraw/zinc/15/07/33/1019150733.db2.gz DOXURFCUOOXBEU-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496205987 1019162452 /nfs/dbraw/zinc/16/24/52/1019162452.db2.gz FMMJYBJJXYXBGG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001496206309 1019164600 /nfs/dbraw/zinc/16/46/00/1019164600.db2.gz HWETUGUGXRVDGW-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001496206309 1019164605 /nfs/dbraw/zinc/16/46/05/1019164605.db2.gz HWETUGUGXRVDGW-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001496300137 1019226739 /nfs/dbraw/zinc/22/67/39/1019226739.db2.gz ICCMOWWUOCSYBY-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)CN(C)C1CCC1 ZINC001496304537 1019231377 /nfs/dbraw/zinc/23/13/77/1019231377.db2.gz QJBNZNJYOPQAOD-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCC[NH2+]CCO[C@H]1CC1(F)F)C(=O)[C@H]1CCCN1C ZINC001498593349 1019253678 /nfs/dbraw/zinc/25/36/78/1019253678.db2.gz ZUJBJXHGBBMTHQ-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1 ZINC001501547874 1019285781 /nfs/dbraw/zinc/28/57/81/1019285781.db2.gz MBZKRNOCEFOFJC-HUUCEWRRSA-N 1 3 320.441 0.201 20 0 DCADHO C[C@H](NCc1cn(C)nn1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496444714 1019316406 /nfs/dbraw/zinc/31/64/06/1019316406.db2.gz BCRNTIPTPXLCHQ-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO Cc1nnc(CN[C@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001496449300 1019320280 /nfs/dbraw/zinc/32/02/80/1019320280.db2.gz OIQPMCGSWIKKDX-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)CCc1cnn(C)c1 ZINC001496844461 1019690296 /nfs/dbraw/zinc/69/02/96/1019690296.db2.gz IAIPOZYSBYRMNU-UHFFFAOYSA-N 1 3 309.458 0.693 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)CCc1cnn(C)c1 ZINC001496844461 1019690304 /nfs/dbraw/zinc/69/03/04/1019690304.db2.gz IAIPOZYSBYRMNU-UHFFFAOYSA-N 1 3 309.458 0.693 20 0 DCADHO Cn1cnnc1CNC[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001496903299 1019746373 /nfs/dbraw/zinc/74/63/73/1019746373.db2.gz GMEUZTQOXNPNPR-OLZOCXBDSA-N 1 3 308.430 0.141 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001493848442 1019756059 /nfs/dbraw/zinc/75/60/59/1019756059.db2.gz FDFGQPPXEKXSOC-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494221868 1020083061 /nfs/dbraw/zinc/08/30/61/1020083061.db2.gz OWUGDYWJBFPBPP-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494221868 1020083070 /nfs/dbraw/zinc/08/30/70/1020083070.db2.gz OWUGDYWJBFPBPP-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000410429226 282089323 /nfs/dbraw/zinc/08/93/23/282089323.db2.gz AFSTZZBJKIJLCO-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000410429226 282089329 /nfs/dbraw/zinc/08/93/29/282089329.db2.gz AFSTZZBJKIJLCO-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000410472254 282251660 /nfs/dbraw/zinc/25/16/60/282251660.db2.gz RJVQBIYXRKSIHF-YOEHRIQHSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410472254 282251664 /nfs/dbraw/zinc/25/16/64/282251664.db2.gz RJVQBIYXRKSIHF-YOEHRIQHSA-N 1 3 322.453 0.093 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495361916 283101636 /nfs/dbraw/zinc/10/16/36/283101636.db2.gz KDIRCNWNMGCDTD-OAHLLOKOSA-N 1 3 301.431 0.946 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495361916 283101638 /nfs/dbraw/zinc/10/16/38/283101638.db2.gz KDIRCNWNMGCDTD-OAHLLOKOSA-N 1 3 301.431 0.946 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333931582 295903665 /nfs/dbraw/zinc/90/36/65/295903665.db2.gz GDDFLIWYHUHJEM-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)CN1C1CC1 ZINC000262060772 291133447 /nfs/dbraw/zinc/13/34/47/291133447.db2.gz AWYYHKZAMYYWMF-KBPBESRZSA-N 1 3 317.437 0.703 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000566228076 291284372 /nfs/dbraw/zinc/28/43/72/291284372.db2.gz VFBRJQCDLPPNIF-QWHCGFSZSA-N 1 3 320.437 0.971 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000566689005 291319154 /nfs/dbraw/zinc/31/91/54/291319154.db2.gz HXYHGTFMJOBPGI-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000566676891 291317640 /nfs/dbraw/zinc/31/76/40/291317640.db2.gz WCMBAGIGESENSN-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](Cc1cnccn1)NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000567227552 291343264 /nfs/dbraw/zinc/34/32/64/291343264.db2.gz NIOQWROVCHFKMX-LLVKDONJSA-N 1 3 301.398 0.783 20 0 DCADHO C[C@H](Cc1cnccn1)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000567227552 291343268 /nfs/dbraw/zinc/34/32/68/291343268.db2.gz NIOQWROVCHFKMX-LLVKDONJSA-N 1 3 301.398 0.783 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000567416361 291354329 /nfs/dbraw/zinc/35/43/29/291354329.db2.gz QYAORGLRXKTLFL-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000567416361 291354332 /nfs/dbraw/zinc/35/43/32/291354332.db2.gz QYAORGLRXKTLFL-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000486976335 241076934 /nfs/dbraw/zinc/07/69/34/241076934.db2.gz ZFHUBRSWJBNOIV-INMHGKMJSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000486976335 241076938 /nfs/dbraw/zinc/07/69/38/241076938.db2.gz ZFHUBRSWJBNOIV-INMHGKMJSA-N 1 3 322.497 0.811 20 0 DCADHO N[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000567586726 291362728 /nfs/dbraw/zinc/36/27/28/291362728.db2.gz BPBHLATWVDGJPV-ZIAGYGMSSA-N 1 3 314.393 0.460 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000567779372 291377136 /nfs/dbraw/zinc/37/71/36/291377136.db2.gz MZDYNVSHAYGUTQ-CYBMUJFWSA-N 1 3 308.430 0.479 20 0 DCADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567816752 291380037 /nfs/dbraw/zinc/38/00/37/291380037.db2.gz IQMJYMQRCIBTEX-INIZCTEOSA-N 1 3 306.454 0.367 20 0 DCADHO O=C(NCCN1CCCCCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000569357667 291475859 /nfs/dbraw/zinc/47/58/59/291475859.db2.gz WEKSHISKVZTNQE-CQSZACIVSA-N 1 3 320.441 0.636 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000572136453 291551156 /nfs/dbraw/zinc/55/11/56/291551156.db2.gz ZRLQVMLUNDTXAE-ZDUSSCGKSA-N 1 3 304.394 0.473 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339580927 253109112 /nfs/dbraw/zinc/10/91/12/253109112.db2.gz LHWLYBDKTSVFNC-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000339636946 253119471 /nfs/dbraw/zinc/11/94/71/253119471.db2.gz AIXRLQRRXZMNPJ-UHFFFAOYSA-N 1 3 310.442 0.186 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000339668701 253123438 /nfs/dbraw/zinc/12/34/38/253123438.db2.gz CSTYTRZYDAQXNJ-UHFFFAOYSA-N 1 3 322.453 0.330 20 0 DCADHO Cn1cnc2cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc21 ZINC000347040351 254124672 /nfs/dbraw/zinc/12/46/72/254124672.db2.gz KIVBRJIFWHZVCK-CQSZACIVSA-N 1 3 315.421 0.860 20 0 DCADHO COC[C@@H](C)N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347266521 254143525 /nfs/dbraw/zinc/14/35/25/254143525.db2.gz LJRWZCMTBFBXBI-GDBMZVCRSA-N 1 3 307.438 0.900 20 0 DCADHO CN1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000347534782 254166240 /nfs/dbraw/zinc/16/62/40/254166240.db2.gz QEVJRLLKYKHIRN-HNNXBMFYSA-N 1 3 324.469 0.834 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)NC(=O)NC)C1 ZINC000350180489 254312795 /nfs/dbraw/zinc/31/27/95/254312795.db2.gz FSADWPPZTJHGJU-ZDUSSCGKSA-N 1 3 314.430 0.265 20 0 DCADHO CN(C)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351546774 254346000 /nfs/dbraw/zinc/34/60/00/254346000.db2.gz ZUYWPIISBBFPKR-HNNXBMFYSA-N 1 3 318.421 0.449 20 0 DCADHO COCCN(C)CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000285005669 131129886 /nfs/dbraw/zinc/12/98/86/131129886.db2.gz UGVBZEMOCVIVBO-UHFFFAOYSA-N 1 3 323.441 0.046 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3cccn3)CC2)CC1 ZINC000195205495 395820758 /nfs/dbraw/zinc/82/07/58/395820758.db2.gz MYJITICQOWOMRK-UHFFFAOYSA-N 1 3 305.426 0.558 20 0 DCADHO Cc1cnn(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797226 395840630 /nfs/dbraw/zinc/84/06/30/395840630.db2.gz JLTQWEGOVBVLII-UHFFFAOYSA-N 1 3 319.453 0.866 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236648458 395895317 /nfs/dbraw/zinc/89/53/17/395895317.db2.gz MXVKIIHRRULAMC-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO O=C(CC1CC[NH2+]CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000238130017 395922226 /nfs/dbraw/zinc/92/22/26/395922226.db2.gz URDBPQITURMKNX-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000245682781 395934317 /nfs/dbraw/zinc/93/43/17/395934317.db2.gz PJECHBURTMYNEH-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000245682781 395934322 /nfs/dbraw/zinc/93/43/22/395934322.db2.gz PJECHBURTMYNEH-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000276703806 396022811 /nfs/dbraw/zinc/02/28/11/396022811.db2.gz XESLMZCCQNLDBQ-OAGGEKHMSA-N 1 3 305.422 0.909 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000277540599 396073819 /nfs/dbraw/zinc/07/38/19/396073819.db2.gz LZQQZMVVGQUNKD-BSWAZPDLSA-N 1 3 317.433 0.879 20 0 DCADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000261784139 396066031 /nfs/dbraw/zinc/06/60/31/396066031.db2.gz XESLMZCCQNLDBQ-BZUAXINKSA-N 1 3 305.422 0.909 20 0 DCADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](N)COC)cc2)CC1 ZINC000262181662 396108165 /nfs/dbraw/zinc/10/81/65/396108165.db2.gz BPAWNMRJHJWYCJ-MRXNPFEDSA-N 1 3 320.437 0.736 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)NC2CCN(C)CC2)CC1 ZINC000171190675 396110388 /nfs/dbraw/zinc/11/03/88/396110388.db2.gz XTBLVYXWEWZQDD-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262436266 396139605 /nfs/dbraw/zinc/13/96/05/396139605.db2.gz CGGGKQIOKWLZBJ-ARFHVFGLSA-N 1 3 303.406 0.490 20 0 DCADHO CN(CCCN1CCOCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000162189834 396079516 /nfs/dbraw/zinc/07/95/16/396079516.db2.gz HVNUKWGSBBJKPZ-UHFFFAOYSA-N 1 3 312.502 0.667 20 0 DCADHO CN(CCCN1CCOCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000162189834 396079521 /nfs/dbraw/zinc/07/95/21/396079521.db2.gz HVNUKWGSBBJKPZ-UHFFFAOYSA-N 1 3 312.502 0.667 20 0 DCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262503123 396148535 /nfs/dbraw/zinc/14/85/35/396148535.db2.gz ALKZBOIFFUNRLQ-STQMWFEESA-N 1 3 320.437 0.578 20 0 DCADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCCN(CC2CCCCC2)CC1 ZINC000262520342 396150163 /nfs/dbraw/zinc/15/01/63/396150163.db2.gz NRIWPBKPWLGGLY-HZPDHXFCSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000263266761 396210089 /nfs/dbraw/zinc/21/00/89/396210089.db2.gz VLHJNJDBQRSHHY-NFAWXSAZSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000263266761 396210093 /nfs/dbraw/zinc/21/00/93/396210093.db2.gz VLHJNJDBQRSHHY-NFAWXSAZSA-N 1 3 312.458 0.323 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H](C)CS(=O)(=O)CC)CC1 ZINC000182407947 396250911 /nfs/dbraw/zinc/25/09/11/396250911.db2.gz AHOCLEZNTMPVFH-AWEZNQCLSA-N 1 3 305.488 0.427 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079490939 396266225 /nfs/dbraw/zinc/26/62/25/396266225.db2.gz LKRHWZAOYJOXHU-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079490939 396266227 /nfs/dbraw/zinc/26/62/27/396266227.db2.gz LKRHWZAOYJOXHU-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H](NCCN1C(=O)CNC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666719 396332453 /nfs/dbraw/zinc/33/24/53/396332453.db2.gz PGMGRNULJWHMAM-CHWSQXEVSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@@H](NCCN1C(=O)CNC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666719 396332456 /nfs/dbraw/zinc/33/24/56/396332456.db2.gz PGMGRNULJWHMAM-CHWSQXEVSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185666719 396332458 /nfs/dbraw/zinc/33/24/58/396332458.db2.gz PGMGRNULJWHMAM-CHWSQXEVSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@H](NCCCS(N)(=O)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710044 396333032 /nfs/dbraw/zinc/33/30/32/396333032.db2.gz UOTAKGXKGOIWAY-QWHCGFSZSA-N 1 3 303.472 0.908 20 0 DCADHO C[C@H](NCCCS(N)(=O)=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710044 396333035 /nfs/dbraw/zinc/33/30/35/396333035.db2.gz UOTAKGXKGOIWAY-QWHCGFSZSA-N 1 3 303.472 0.908 20 0 DCADHO C[C@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185710044 396333037 /nfs/dbraw/zinc/33/30/37/396333037.db2.gz UOTAKGXKGOIWAY-QWHCGFSZSA-N 1 3 303.472 0.908 20 0 DCADHO CN(C)C/C=C/C(=O)N(CCNC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000265644201 396333473 /nfs/dbraw/zinc/33/34/73/396333473.db2.gz MSDARXWBDPGZCU-KQQUZDAGSA-N 1 3 322.453 0.329 20 0 DCADHO CN(C)C/C=C/C(=O)NCCN(C(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000265644201 396333475 /nfs/dbraw/zinc/33/34/75/396333475.db2.gz MSDARXWBDPGZCU-KQQUZDAGSA-N 1 3 322.453 0.329 20 0 DCADHO C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)CN1CCN(C)CC1 ZINC000186303067 396347370 /nfs/dbraw/zinc/34/73/70/396347370.db2.gz VXBZFVIWXWHIKM-HNNXBMFYSA-N 1 3 313.490 0.463 20 0 DCADHO CC[C@@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000580774918 396498993 /nfs/dbraw/zinc/49/89/93/396498993.db2.gz DOZMLHOYSZYERF-CYBMUJFWSA-N 1 3 306.410 0.646 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515337864 396503400 /nfs/dbraw/zinc/50/34/00/396503400.db2.gz FRLDBZYZQFGTLM-CYBMUJFWSA-N 1 3 316.405 0.481 20 0 DCADHO CN(C)CCN(C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530775065 396583177 /nfs/dbraw/zinc/58/31/77/396583177.db2.gz YNEQBUUZGKWWDI-QGZVFWFLSA-N 1 3 305.422 0.643 20 0 DCADHO CN(C)CCN(C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530775065 396583181 /nfs/dbraw/zinc/58/31/81/396583181.db2.gz YNEQBUUZGKWWDI-QGZVFWFLSA-N 1 3 305.422 0.643 20 0 DCADHO N[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccccc1 ZINC000581012009 396518992 /nfs/dbraw/zinc/51/89/92/396518992.db2.gz OICYGUQDJAUDGE-HNNXBMFYSA-N 1 3 313.405 0.778 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000581378888 396550394 /nfs/dbraw/zinc/55/03/94/396550394.db2.gz WNUNASKREDSKRB-ZFWWWQNUSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000581378888 396550398 /nfs/dbraw/zinc/55/03/98/396550398.db2.gz WNUNASKREDSKRB-ZFWWWQNUSA-N 1 3 307.442 0.857 20 0 DCADHO COCC1(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC[NH2+]CC1 ZINC000581478068 396557655 /nfs/dbraw/zinc/55/76/55/396557655.db2.gz ANIURRVKHKARFQ-UONOGXRCSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@@H](OC[C@@H]1CCCO1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530644724 396580255 /nfs/dbraw/zinc/58/02/55/396580255.db2.gz HTIIAORWJHOTMZ-CABCVRRESA-N 1 3 315.458 0.522 20 0 DCADHO C[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C(=O)NCC[NH+](C)C ZINC000560563274 396620670 /nfs/dbraw/zinc/62/06/70/396620670.db2.gz YSUOOMAMOYIFOB-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895326 396677925 /nfs/dbraw/zinc/67/79/25/396677925.db2.gz IXCKEKQOVOLVKO-CABCVRRESA-N 1 3 323.437 0.614 20 0 DCADHO O=C(CC[NH2+]C1(CO)CCNCC1)NC(=O)Nc1ccccc1 ZINC000595897428 396678380 /nfs/dbraw/zinc/67/83/80/396678380.db2.gz YABQWGDRPUAHBP-UHFFFAOYSA-N 1 3 320.393 0.429 20 0 DCADHO O=C(CN1CC[NH2+]CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303089411 396724500 /nfs/dbraw/zinc/72/45/00/396724500.db2.gz OPUAVCGCJFWQEQ-KRWDZBQOSA-N 1 3 316.449 0.672 20 0 DCADHO CCN1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629559074 396786730 /nfs/dbraw/zinc/78/67/30/396786730.db2.gz AKDNAKICSCWKPA-DLBZAZTESA-N 1 3 312.502 0.306 20 0 DCADHO CC(C)(CNC[C@@H](O)C[NH+]1CCCC1)C1(O)CCOCC1 ZINC000629580911 396799279 /nfs/dbraw/zinc/79/92/79/396799279.db2.gz YKVIZOHHULUCHT-CQSZACIVSA-N 1 3 300.443 0.600 20 0 DCADHO Cn1cc(C[N@H+]2CCCC23CCN(C)CC3)c(=O)n(C)c1=O ZINC000375470231 396752966 /nfs/dbraw/zinc/75/29/66/396752966.db2.gz CUVNEOWAQFHGJX-UHFFFAOYSA-N 1 3 306.410 0.144 20 0 DCADHO Cn1cc(C[N@@H+]2CCCC23CCN(C)CC3)c(=O)n(C)c1=O ZINC000375470231 396752970 /nfs/dbraw/zinc/75/29/70/396752970.db2.gz CUVNEOWAQFHGJX-UHFFFAOYSA-N 1 3 306.410 0.144 20 0 DCADHO Cn1cc(CN2CCCC23CC[NH+](C)CC3)c(=O)n(C)c1=O ZINC000375470231 396752971 /nfs/dbraw/zinc/75/29/71/396752971.db2.gz CUVNEOWAQFHGJX-UHFFFAOYSA-N 1 3 306.410 0.144 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000563610075 396758931 /nfs/dbraw/zinc/75/89/31/396758931.db2.gz YVVFLPSWRUVZIK-ILXRZTDVSA-N 1 3 309.458 0.158 20 0 DCADHO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000563645537 396766032 /nfs/dbraw/zinc/76/60/32/396766032.db2.gz YAADEFDLOSDXEP-INIZCTEOSA-N 1 3 308.470 0.805 20 0 DCADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000629515319 396775547 /nfs/dbraw/zinc/77/55/47/396775547.db2.gz ORCAXVFKZSROLY-LRDDRELGSA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@H](C)N)[C@@H]1CC12CC[NH2+]CC2 ZINC000564084983 396807857 /nfs/dbraw/zinc/80/78/57/396807857.db2.gz OSWLQBBSMMTWLS-QWHCGFSZSA-N 1 3 305.426 0.721 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000331876273 396875528 /nfs/dbraw/zinc/87/55/28/396875528.db2.gz BTUXNZQSQYKGTE-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331876273 396875537 /nfs/dbraw/zinc/87/55/37/396875537.db2.gz BTUXNZQSQYKGTE-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000332020760 396880279 /nfs/dbraw/zinc/88/02/79/396880279.db2.gz QWHREXHUMYXWAS-CABCVRRESA-N 1 3 312.458 0.866 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000629959095 396895810 /nfs/dbraw/zinc/89/58/10/396895810.db2.gz MAUWHDUDVKAIGH-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO O=C([C@H]1CNCc2ccccc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564932733 396902086 /nfs/dbraw/zinc/90/20/86/396902086.db2.gz CUCIXSYKCIDNOK-RDJZCZTQSA-N 1 3 314.433 0.380 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634762231 396910737 /nfs/dbraw/zinc/91/07/37/396910737.db2.gz RZDVKQGANBKFGR-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2CNCCO2)([NH+](C)C)C1 ZINC000333811730 396933698 /nfs/dbraw/zinc/93/36/98/396933698.db2.gz PRGYUFFCPBBKAT-FMKPAKJESA-N 1 3 312.458 0.785 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCNC(C)=O)CC2)CC1 ZINC000571460773 396954832 /nfs/dbraw/zinc/95/48/32/396954832.db2.gz AADGQRSEEFIIIR-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1cc(N2CCC[C@H](N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C2=O)cn1 ZINC000342093517 396985317 /nfs/dbraw/zinc/98/53/17/396985317.db2.gz WHIAWYARGRLWTN-UKMLZYKCSA-N 1 3 317.437 0.975 20 0 DCADHO Cn1cc(N2CCC[C@H](N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)C2=O)cn1 ZINC000342093519 396986015 /nfs/dbraw/zinc/98/60/15/396986015.db2.gz WHIAWYARGRLWTN-XZDPQHSOSA-N 1 3 317.437 0.975 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000611990603 396975089 /nfs/dbraw/zinc/97/50/89/396975089.db2.gz OARYDLQYWNGLGC-SLTAFYQDSA-N 1 3 324.469 0.576 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000572479623 397063140 /nfs/dbraw/zinc/06/31/40/397063140.db2.gz BEENMOSKYWSDNQ-GFCCVEGCSA-N 1 3 311.426 0.233 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000573226932 397148377 /nfs/dbraw/zinc/14/83/77/397148377.db2.gz LHAWCTAMSOYMEB-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612981468 397171231 /nfs/dbraw/zinc/17/12/31/397171231.db2.gz BITAHTOXECNVMU-ZIAGYGMSSA-N 1 3 310.442 0.275 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000573668586 397192990 /nfs/dbraw/zinc/19/29/90/397192990.db2.gz WWFKMQSCBCBDNB-UHFFFAOYSA-N 1 3 324.469 0.740 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000364461975 397206047 /nfs/dbraw/zinc/20/60/47/397206047.db2.gz BSFZEMAHOWWZKM-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478841 397278083 /nfs/dbraw/zinc/27/80/83/397278083.db2.gz ITNPFMJYRKYMBU-DLBZAZTESA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620478841 397278085 /nfs/dbraw/zinc/27/80/85/397278085.db2.gz ITNPFMJYRKYMBU-DLBZAZTESA-N 1 3 321.465 0.918 20 0 DCADHO COC(=O)c1ccc(CNCCN2CCC([NH+](C)C)CC2)n1C ZINC000602014746 397284510 /nfs/dbraw/zinc/28/45/10/397284510.db2.gz WGZAJRTYBBIRII-UHFFFAOYSA-N 1 3 322.453 0.927 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000626913801 397285236 /nfs/dbraw/zinc/28/52/36/397285236.db2.gz ZRLQVMLUNDTXAE-CYBMUJFWSA-N 1 3 304.394 0.473 20 0 DCADHO CCCN(CCN(C)C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574758858 397297507 /nfs/dbraw/zinc/29/75/07/397297507.db2.gz AKXMRNDORFUUQX-ZDUSSCGKSA-N 1 3 308.430 0.444 20 0 DCADHO CN(Cc1ccccc1N(C)C1CCN(C)CC1)C[C@H](O)C[NH3+] ZINC000415068655 397368329 /nfs/dbraw/zinc/36/83/29/397368329.db2.gz NHWJSCYWGHCBQE-QGZVFWFLSA-N 1 3 320.481 0.968 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)CC1 ZINC000602330648 397374297 /nfs/dbraw/zinc/37/42/97/397374297.db2.gz PIITZJDHHKBYCQ-GOEBONIOSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)CC1 ZINC000602330648 397374301 /nfs/dbraw/zinc/37/43/01/397374301.db2.gz PIITZJDHHKBYCQ-GOEBONIOSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602330648 397374304 /nfs/dbraw/zinc/37/43/04/397374304.db2.gz PIITZJDHHKBYCQ-GOEBONIOSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000577281216 397319119 /nfs/dbraw/zinc/31/91/19/397319119.db2.gz ULTRHJMYTOTONK-YDHLFZDLSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000577281216 397319124 /nfs/dbraw/zinc/31/91/24/397319124.db2.gz ULTRHJMYTOTONK-YDHLFZDLSA-N 1 3 310.442 0.029 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000369044527 397431023 /nfs/dbraw/zinc/43/10/23/397431023.db2.gz OKIGZUZGHLEXEM-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000369044527 397431026 /nfs/dbraw/zinc/43/10/26/397431026.db2.gz OKIGZUZGHLEXEM-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO CCC[NH+]1CCC(NC(=O)NCCOCCN(C)C)CC1 ZINC000471633626 397448510 /nfs/dbraw/zinc/44/85/10/397448510.db2.gz CBWKUJXGUKGIRS-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000578308089 397418077 /nfs/dbraw/zinc/41/80/77/397418077.db2.gz CPFABJAKVGXWSV-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC(N)=O)CC2)CC1 ZINC000578784448 397484937 /nfs/dbraw/zinc/48/49/37/397484937.db2.gz LFOUFBLINURJBD-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO CCCCCNC(=O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000578893081 397499651 /nfs/dbraw/zinc/49/96/51/397499651.db2.gz VUECFWQUQUIZNX-UHFFFAOYSA-N 1 3 310.486 0.910 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000579107867 397523437 /nfs/dbraw/zinc/52/34/37/397523437.db2.gz IHZSJMJNXFOGRE-CQSZACIVSA-N 1 3 322.453 0.174 20 0 DCADHO CN1CCC[C@H](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000579250500 397544139 /nfs/dbraw/zinc/54/41/39/397544139.db2.gz SCYXRKRSLDXKKR-CQSZACIVSA-N 1 3 305.426 0.420 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCN1C ZINC000579833672 397594643 /nfs/dbraw/zinc/59/46/43/397594643.db2.gz DLQXJWZVHUNKLV-JHJVBQTASA-N 1 3 306.414 0.243 20 0 DCADHO C[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)N1CCC(C)CC1 ZINC000123928939 158236009 /nfs/dbraw/zinc/23/60/09/158236009.db2.gz XTNHZBBXGIBSEB-HOCLYGCPSA-N 1 3 314.474 0.719 20 0 DCADHO CN1CCN(CCCNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000261963088 158758765 /nfs/dbraw/zinc/75/87/65/158758765.db2.gz PCRDUTIXHQJTMN-MRXNPFEDSA-N 1 3 304.438 0.830 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000316440374 159002539 /nfs/dbraw/zinc/00/25/39/159002539.db2.gz UWFGMGPAARLEQQ-WFDRTZIDSA-N 1 3 307.438 0.887 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN1CCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC000340217229 287149056 /nfs/dbraw/zinc/14/90/56/287149056.db2.gz DLLYPFBPTLVMOO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN1CCC[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000340217229 287149058 /nfs/dbraw/zinc/14/90/58/287149058.db2.gz DLLYPFBPTLVMOO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000354957806 287171686 /nfs/dbraw/zinc/17/16/86/287171686.db2.gz GZZLRZCVPFCDQO-UONOGXRCSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000354957806 287171689 /nfs/dbraw/zinc/17/16/89/287171689.db2.gz GZZLRZCVPFCDQO-UONOGXRCSA-N 1 3 310.442 0.369 20 0 DCADHO C[C@@H]1CC2(CN1Cc1cc(=O)n(C)c(=O)n1C)CC[NH2+]CC2 ZINC000333645606 287237321 /nfs/dbraw/zinc/23/73/21/287237321.db2.gz YAWIXMXRUVKGKU-GFCCVEGCSA-N 1 3 306.410 0.048 20 0 DCADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000418391922 287247271 /nfs/dbraw/zinc/24/72/71/287247271.db2.gz VUDPZULGLMVDMM-UKRRQHHQSA-N 1 3 306.410 0.959 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419147962 287268604 /nfs/dbraw/zinc/26/86/04/287268604.db2.gz CTYPHVZSCCRSRB-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CCC1 ZINC000419226553 287275539 /nfs/dbraw/zinc/27/55/39/287275539.db2.gz JFNOQSJGIHKTPF-CQSZACIVSA-N 1 3 322.453 0.365 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332158226 415272187 /nfs/dbraw/zinc/27/21/87/415272187.db2.gz POKFQYFSTHRAAJ-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332158226 415272189 /nfs/dbraw/zinc/27/21/89/415272189.db2.gz POKFQYFSTHRAAJ-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332295507 415332253 /nfs/dbraw/zinc/33/22/53/415332253.db2.gz MDJOHZPEMJXYPZ-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343200902 415497954 /nfs/dbraw/zinc/49/79/54/415497954.db2.gz CBCWOTWIKMFRRX-YVSFHVDLSA-N 1 3 322.497 0.859 20 0 DCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343200902 415497959 /nfs/dbraw/zinc/49/79/59/415497959.db2.gz CBCWOTWIKMFRRX-YVSFHVDLSA-N 1 3 322.497 0.859 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085360651 415504436 /nfs/dbraw/zinc/50/44/36/415504436.db2.gz LDCUQVDRFPNUBD-ZDUSSCGKSA-N 1 3 302.463 0.840 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000085408173 415504904 /nfs/dbraw/zinc/50/49/04/415504904.db2.gz SKJHCLWBSFFQFB-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000085408173 415504907 /nfs/dbraw/zinc/50/49/07/415504907.db2.gz SKJHCLWBSFFQFB-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000343265051 415520038 /nfs/dbraw/zinc/52/00/38/415520038.db2.gz AJGXLSKOYAWYIN-DLBZAZTESA-N 1 3 320.481 0.853 20 0 DCADHO CO[C@H](CN)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353426862 415534880 /nfs/dbraw/zinc/53/48/80/415534880.db2.gz KHUUNJLWRKMWFS-CQSZACIVSA-N 1 3 313.442 0.500 20 0 DCADHO CO[C@@H](CN)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353426860 415537933 /nfs/dbraw/zinc/53/79/33/415537933.db2.gz KHUUNJLWRKMWFS-AWEZNQCLSA-N 1 3 313.442 0.500 20 0 DCADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121252 415607841 /nfs/dbraw/zinc/60/78/41/415607841.db2.gz QNDGOARIZBWLGF-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO CCC[C@@](C)([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000353654482 415616442 /nfs/dbraw/zinc/61/64/42/415616442.db2.gz ZPCCSBIKENFWID-CZUORRHYSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[C@](C)(N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353667963 415618569 /nfs/dbraw/zinc/61/85/69/415618569.db2.gz LFTWWCXRLBNJNM-INIZCTEOSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000333353094 415618726 /nfs/dbraw/zinc/61/87/26/415618726.db2.gz JWUNXSYPPUTPSU-BZPMIXESSA-N 1 3 300.472 0.721 20 0 DCADHO COc1cc(OC)c(OC)cc1CNCCN1CC[NH2+]CC1 ZINC000106957867 415656926 /nfs/dbraw/zinc/65/69/26/415656926.db2.gz TTXGDESUJBFLFQ-UHFFFAOYSA-N 1 3 309.410 0.707 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000333490569 415665627 /nfs/dbraw/zinc/66/56/27/415665627.db2.gz DFWTVZYJKUBJDS-HIFRSBDPSA-N 1 3 309.435 0.731 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000333543947 415678525 /nfs/dbraw/zinc/67/85/25/415678525.db2.gz IICQAKHYLPCKAA-KGLIPLIRSA-N 1 3 306.414 0.112 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000333543947 415678530 /nfs/dbraw/zinc/67/85/30/415678530.db2.gz IICQAKHYLPCKAA-KGLIPLIRSA-N 1 3 306.414 0.112 20 0 DCADHO CCN(CC)[C@@H]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343765016 415717582 /nfs/dbraw/zinc/71/75/82/415717582.db2.gz ALDHLYIVBLLEND-JALIKCBVSA-N 1 3 307.438 0.744 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343770096 415721189 /nfs/dbraw/zinc/72/11/89/415721189.db2.gz MLNVOPLETYWTDB-DKUMPPAJSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCN1 ZINC000333719761 415725591 /nfs/dbraw/zinc/72/55/91/415725591.db2.gz UJTWLGZXXIQOTA-WLYUNCDWSA-N 1 3 309.458 0.206 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CCN1 ZINC000333719761 415725595 /nfs/dbraw/zinc/72/55/95/415725595.db2.gz UJTWLGZXXIQOTA-WLYUNCDWSA-N 1 3 309.458 0.206 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN2CCN1CCC2 ZINC000343779576 415725575 /nfs/dbraw/zinc/72/55/75/415725575.db2.gz LRCROHSEQDSKQH-PMPSAXMXSA-N 1 3 306.454 0.462 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN2CCN1CCC2 ZINC000343779576 415725581 /nfs/dbraw/zinc/72/55/81/415725581.db2.gz LRCROHSEQDSKQH-PMPSAXMXSA-N 1 3 306.454 0.462 20 0 DCADHO C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)C[NH+]1CCCCC1 ZINC000333747131 415728512 /nfs/dbraw/zinc/72/85/12/415728512.db2.gz JNRWBEVOFMQPOC-AWEZNQCLSA-N 1 3 310.442 0.492 20 0 DCADHO O=C(N[C@H]1CCN2CCCC[C@@H]12)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343786700 415728951 /nfs/dbraw/zinc/72/89/51/415728951.db2.gz RNBUJNAYHAPTGF-CHZLEKFTSA-N 1 3 305.422 0.544 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCC1 ZINC000333663120 415708962 /nfs/dbraw/zinc/70/89/62/415708962.db2.gz LXFALXSXAKUUHB-CYBMUJFWSA-N 1 3 310.442 0.763 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@@H](C)CN1 ZINC000333667772 415713452 /nfs/dbraw/zinc/71/34/52/415713452.db2.gz MORIUUIUWSZYCK-QVOMUQBLSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@@H](C)CN1 ZINC000333667772 415713457 /nfs/dbraw/zinc/71/34/57/415713457.db2.gz MORIUUIUWSZYCK-QVOMUQBLSA-N 1 3 323.485 0.595 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343821919 415742968 /nfs/dbraw/zinc/74/29/68/415742968.db2.gz XYIQLYOIMTZKRE-JKSUJKDBSA-N 1 3 308.470 0.470 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343821919 415742975 /nfs/dbraw/zinc/74/29/75/415742975.db2.gz XYIQLYOIMTZKRE-JKSUJKDBSA-N 1 3 308.470 0.470 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCC2(C)CC[NH2+]CC2)N(C)C1 ZINC000333833478 415749745 /nfs/dbraw/zinc/74/97/45/415749745.db2.gz MXSLCDNPMXPATB-KBPBESRZSA-N 1 3 312.458 0.737 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000353518263 287321590 /nfs/dbraw/zinc/32/15/90/287321590.db2.gz NLSLQIOAXJHMCP-OAGGEKHMSA-N 1 3 310.486 0.764 20 0 DCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000121983324 415821691 /nfs/dbraw/zinc/82/16/91/415821691.db2.gz IGUAOTQDZWLEPR-MELADBBJSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000121983069 415824549 /nfs/dbraw/zinc/82/45/49/415824549.db2.gz IGUAOTQDZWLEPR-HZSPNIEDSA-N 1 3 324.469 0.467 20 0 DCADHO CN(C)CCN(C)CCC[N@H+](C)CCC(=O)N1CCOCC1 ZINC000344041583 415827249 /nfs/dbraw/zinc/82/72/49/415827249.db2.gz WMXBOQMFRMIYRN-UHFFFAOYSA-N 1 3 314.474 0.051 20 0 DCADHO CN(C)CCN(C)CCC[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000344041583 415827255 /nfs/dbraw/zinc/82/72/55/415827255.db2.gz WMXBOQMFRMIYRN-UHFFFAOYSA-N 1 3 314.474 0.051 20 0 DCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000356184788 415875521 /nfs/dbraw/zinc/87/55/21/415875521.db2.gz FCBIUQXJHUUWBD-LBPRGKRZSA-N 1 3 316.409 0.587 20 0 DCADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)C1 ZINC000356247757 415889697 /nfs/dbraw/zinc/88/96/97/415889697.db2.gz XYDUUGUKKUDLQY-DOTOQJQBSA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)C1 ZINC000356247757 415889703 /nfs/dbraw/zinc/88/97/03/415889703.db2.gz XYDUUGUKKUDLQY-DOTOQJQBSA-N 1 3 306.454 0.321 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000356261750 415892266 /nfs/dbraw/zinc/89/22/66/415892266.db2.gz SZEOIIIOQYGORY-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000356261750 415892274 /nfs/dbraw/zinc/89/22/74/415892274.db2.gz SZEOIIIOQYGORY-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO C[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)N1CCCCCC1 ZINC000344399302 415905990 /nfs/dbraw/zinc/90/59/90/415905990.db2.gz JDCGGKIWJCKIMD-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CC(C)N1CCN(CCC[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000337329992 415943803 /nfs/dbraw/zinc/94/38/03/415943803.db2.gz FVQBENILPIXJAB-UHFFFAOYSA-N 1 3 310.486 0.990 20 0 DCADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCN(C)CCOC)C1(C)C ZINC000157208622 415997958 /nfs/dbraw/zinc/99/79/58/415997958.db2.gz KZPTWZXZVHLLCI-DOMZBBRYSA-N 1 3 301.431 0.213 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](F)CN1 ZINC000357333621 416063951 /nfs/dbraw/zinc/06/39/51/416063951.db2.gz UTMUOYUNFOLWSX-KBPBESRZSA-N 1 3 309.385 0.943 20 0 DCADHO CN(C)CCN(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176378548 416126273 /nfs/dbraw/zinc/12/62/73/416126273.db2.gz IQFLXTYPPNHVDJ-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339640109 416160796 /nfs/dbraw/zinc/16/07/96/416160796.db2.gz VQHDULXSVFPROA-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358517182 416248985 /nfs/dbraw/zinc/24/89/85/416248985.db2.gz PLSNXNDVDQQZDO-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CO[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000359061624 416304829 /nfs/dbraw/zinc/30/48/29/416304829.db2.gz QLHYWFJJBIUUQX-HZPDHXFCSA-N 1 3 324.469 0.168 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000359258725 416318248 /nfs/dbraw/zinc/31/82/48/416318248.db2.gz FMMZRTJTBUCVHR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000359258725 416318249 /nfs/dbraw/zinc/31/82/49/416318249.db2.gz FMMZRTJTBUCVHR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415801765 416354581 /nfs/dbraw/zinc/35/45/81/416354581.db2.gz FRVAFRYVAPLGSW-UHFFFAOYSA-N 1 3 318.421 0.943 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419845705 416413925 /nfs/dbraw/zinc/41/39/25/416413925.db2.gz FPCQDYKFFVOLOG-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419971035 416415511 /nfs/dbraw/zinc/41/55/11/416415511.db2.gz VWHCHICIODOKCM-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO COCCNCCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000417012380 416381979 /nfs/dbraw/zinc/38/19/79/416381979.db2.gz AEZBEYHQNOJKLM-GJZGRUSLSA-N 1 3 314.474 0.890 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417563664 416383707 /nfs/dbraw/zinc/38/37/07/416383707.db2.gz HRXVYDXQFWYVJJ-SOUVJXGZSA-N 1 3 312.458 0.914 20 0 DCADHO CN1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418830949 416391299 /nfs/dbraw/zinc/39/12/99/416391299.db2.gz ITXGHFHVVXUZPS-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418990344 416395910 /nfs/dbraw/zinc/39/59/10/416395910.db2.gz VFVFMELGYCTRAC-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418990344 416395911 /nfs/dbraw/zinc/39/59/11/416395911.db2.gz VFVFMELGYCTRAC-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418990347 416395969 /nfs/dbraw/zinc/39/59/69/416395969.db2.gz VFVFMELGYCTRAC-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418990347 416395970 /nfs/dbraw/zinc/39/59/70/416395970.db2.gz VFVFMELGYCTRAC-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419764809 416409819 /nfs/dbraw/zinc/40/98/19/416409819.db2.gz PSFSHVVNQPJPHY-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419775093 416410316 /nfs/dbraw/zinc/41/03/16/416410316.db2.gz KNNCGDLPLGSZRF-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000360800984 416411165 /nfs/dbraw/zinc/41/11/65/416411165.db2.gz PAGBWVNCGYUTSP-UKRRQHHQSA-N 1 3 300.447 0.473 20 0 DCADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000360800984 416411166 /nfs/dbraw/zinc/41/11/66/416411166.db2.gz PAGBWVNCGYUTSP-UKRRQHHQSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@H]1[NH3+] ZINC000419785086 416411254 /nfs/dbraw/zinc/41/12/54/416411254.db2.gz YHGRKNGFEOGAGT-UPJWGTAASA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423060977 416463188 /nfs/dbraw/zinc/46/31/88/416463188.db2.gz JHYRKKHONSIXKW-CABCVRRESA-N 1 3 324.469 0.101 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423065959 416464171 /nfs/dbraw/zinc/46/41/71/416464171.db2.gz VSGURZBNBQHZKW-ZIAGYGMSSA-N 1 3 312.458 0.228 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nn1 ZINC000423113996 416467014 /nfs/dbraw/zinc/46/70/14/416467014.db2.gz ZQCOJXMGJDDSJU-MGPQQGTHSA-N 1 3 321.425 0.965 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423151328 416469233 /nfs/dbraw/zinc/46/92/33/416469233.db2.gz JVAKKIZYOGADFJ-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000423156221 416470400 /nfs/dbraw/zinc/47/04/00/416470400.db2.gz KNVPNKAZDWPRAE-YUELXQCFSA-N 1 3 313.467 0.862 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000423125663 416471288 /nfs/dbraw/zinc/47/12/88/416471288.db2.gz NULADTNVESJBMJ-AVGNSLFASA-N 1 3 306.476 0.363 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423201555 416478024 /nfs/dbraw/zinc/47/80/24/416478024.db2.gz IWFKTYREWINLHU-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423201555 416478028 /nfs/dbraw/zinc/47/80/28/416478028.db2.gz IWFKTYREWINLHU-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000583683372 416482536 /nfs/dbraw/zinc/48/25/36/416482536.db2.gz MDDDKWPTYAPDGF-WFASDCNBSA-N 1 3 310.442 0.618 20 0 DCADHO COCCN1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000583928556 416485584 /nfs/dbraw/zinc/48/55/84/416485584.db2.gz DTGCCAQQZWCMTF-AWEZNQCLSA-N 1 3 305.426 0.624 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)N(C)C1CC1 ZINC000422308915 416425270 /nfs/dbraw/zinc/42/52/70/416425270.db2.gz RNBVAHWOQFLCES-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)N(C)C1CC1 ZINC000422308915 416425272 /nfs/dbraw/zinc/42/52/72/416425272.db2.gz RNBVAHWOQFLCES-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000361443328 416436990 /nfs/dbraw/zinc/43/69/90/416436990.db2.gz XLIICMAGBAVWCD-KGLIPLIRSA-N 1 3 320.441 1.193 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000361443328 416436992 /nfs/dbraw/zinc/43/69/92/416436992.db2.gz XLIICMAGBAVWCD-KGLIPLIRSA-N 1 3 320.441 1.193 20 0 DCADHO CC(CN1CC[C@@](C)(C(N)=O)C1)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361561504 416449126 /nfs/dbraw/zinc/44/91/26/416449126.db2.gz FQNAYXXAPTUWJR-HZPDHXFCSA-N 1 3 310.442 0.017 20 0 DCADHO CC(CN1CC[C@@](C)(C(N)=O)C1)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361561504 416449132 /nfs/dbraw/zinc/44/91/32/416449132.db2.gz FQNAYXXAPTUWJR-HZPDHXFCSA-N 1 3 310.442 0.017 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000422977941 416455644 /nfs/dbraw/zinc/45/56/44/416455644.db2.gz YANKBXFLNTWYKV-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423625790 416531054 /nfs/dbraw/zinc/53/10/54/416531054.db2.gz RLZJCNYGMDGRFU-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@@H]1C[NH3+] ZINC000423721858 416547476 /nfs/dbraw/zinc/54/74/76/416547476.db2.gz FNDLJLQEZPYQCY-HZSPNIEDSA-N 1 3 310.442 0.125 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423760620 416560577 /nfs/dbraw/zinc/56/05/77/416560577.db2.gz QKXHEJXEHODURI-HOTGVXAUSA-N 1 3 310.486 0.990 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000434699270 416492983 /nfs/dbraw/zinc/49/29/83/416492983.db2.gz JITFXBSXUGMBAB-QLFBSQMISA-N 1 3 324.469 0.705 20 0 DCADHO O=C(C[C@@H]1CSCCN1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000434872990 416502685 /nfs/dbraw/zinc/50/26/85/416502685.db2.gz GKYDGKKRXUXPMW-GFCCVEGCSA-N 1 3 321.450 0.525 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H](C)[NH3+] ZINC000423405550 416505048 /nfs/dbraw/zinc/50/50/48/416505048.db2.gz ZUALOCLLPGVEJA-GDBMZVCRSA-N 1 3 324.469 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000361830336 416505488 /nfs/dbraw/zinc/50/54/88/416505488.db2.gz QOFXAHQXYYLPCO-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000361830336 416505493 /nfs/dbraw/zinc/50/54/93/416505493.db2.gz QOFXAHQXYYLPCO-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423421228 416507598 /nfs/dbraw/zinc/50/75/98/416507598.db2.gz XTYBSMCJCXKRFT-GASCZTMLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C1(C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CCC1 ZINC000438338980 416597585 /nfs/dbraw/zinc/59/75/85/416597585.db2.gz CEHDIHVBHYHBOI-UHFFFAOYSA-N 1 3 318.469 0.802 20 0 DCADHO CN1CCN(c2ncc(CNCC3([NH+](C)C)CCC3)cn2)CC1 ZINC000438338980 416597588 /nfs/dbraw/zinc/59/75/88/416597588.db2.gz CEHDIHVBHYHBOI-UHFFFAOYSA-N 1 3 318.469 0.802 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000423848656 416574449 /nfs/dbraw/zinc/57/44/49/416574449.db2.gz OIEFQURNHMHRDA-UHFFFAOYSA-N 1 3 305.426 0.514 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])C[C@H]2N)cn1 ZINC000424227339 416629817 /nfs/dbraw/zinc/62/98/17/416629817.db2.gz QQEXUQZMTBMPGF-SPWCGHHHSA-N 1 3 305.426 0.581 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424453154 416647107 /nfs/dbraw/zinc/64/71/07/416647107.db2.gz JXWUCAOOTRAMPZ-VHDGCEQUSA-N 1 3 322.457 0.587 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440975801 416654910 /nfs/dbraw/zinc/65/49/10/416654910.db2.gz AVNJLMYCFPCIAT-AWEZNQCLSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000514784312 416675063 /nfs/dbraw/zinc/67/50/63/416675063.db2.gz ALWIBSLCDMFBNX-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO COCCN1CC[C@H](NC(=O)C[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000516865137 416747895 /nfs/dbraw/zinc/74/78/95/416747895.db2.gz QFZPLOXLXABTFE-HOTGVXAUSA-N 1 3 305.422 0.783 20 0 DCADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000443065752 416729285 /nfs/dbraw/zinc/72/92/85/416729285.db2.gz COFPVYYLBXAJIX-CQSZACIVSA-N 1 3 322.453 0.128 20 0 DCADHO C[C@@H](CNS(=O)(=O)CCCN(C)C)C[NH+]1CCCCC1 ZINC000631777855 416738139 /nfs/dbraw/zinc/73/81/39/416738139.db2.gz PHSRXDQNXNYZJS-AWEZNQCLSA-N 1 3 305.488 0.980 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)nn1 ZINC000631845442 416761333 /nfs/dbraw/zinc/76/13/33/416761333.db2.gz BIOWLOGEBIBIIE-CQSZACIVSA-N 1 3 306.414 0.433 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](CCC(=O)NC3CCCC3)C2)nn1 ZINC000631845442 416761338 /nfs/dbraw/zinc/76/13/38/416761338.db2.gz BIOWLOGEBIBIIE-CQSZACIVSA-N 1 3 306.414 0.433 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000369476724 416783629 /nfs/dbraw/zinc/78/36/29/416783629.db2.gz NXISFQLBZGKYFX-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000369476724 416783633 /nfs/dbraw/zinc/78/36/33/416783633.db2.gz NXISFQLBZGKYFX-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO CCCN1CCC(NS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631909383 416795340 /nfs/dbraw/zinc/79/53/40/416795340.db2.gz CSYNLEJGJGXZOP-UHFFFAOYSA-N 1 3 318.487 0.379 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000631929418 416809760 /nfs/dbraw/zinc/80/97/60/416809760.db2.gz FPLAEXVAWHQPAQ-AWEZNQCLSA-N 1 3 301.456 0.488 20 0 DCADHO Cc1nccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000559581295 416816205 /nfs/dbraw/zinc/81/62/05/416816205.db2.gz HLZUYHZLVRYBJZ-UHFFFAOYSA-N 1 3 307.442 0.669 20 0 DCADHO C[C@@]1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCC[NH2+]C1 ZINC000518501220 416859447 /nfs/dbraw/zinc/85/94/47/416859447.db2.gz FCEBYOZAHWFDRR-WMLDXEAASA-N 1 3 322.453 0.189 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369777643 416827933 /nfs/dbraw/zinc/82/79/33/416827933.db2.gz LBMWTNUXUNEKRU-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369777643 416827942 /nfs/dbraw/zinc/82/79/42/416827942.db2.gz LBMWTNUXUNEKRU-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H](Nc1nc(N)nc(N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624090507 416955572 /nfs/dbraw/zinc/95/55/72/416955572.db2.gz ZBUPJLPMRWCAME-WCQYABFASA-N 1 3 313.409 0.441 20 0 DCADHO C[C@H](Nc1nc(N)nc(N)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624090507 416955577 /nfs/dbraw/zinc/95/55/77/416955577.db2.gz ZBUPJLPMRWCAME-WCQYABFASA-N 1 3 313.409 0.441 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000564979700 416900760 /nfs/dbraw/zinc/90/07/60/416900760.db2.gz MITWEBXIVMTHAW-OLZOCXBDSA-N 1 3 300.447 0.275 20 0 DCADHO Nc1nc(N)nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000623936684 416923319 /nfs/dbraw/zinc/92/33/19/416923319.db2.gz GNXYZUNDJNPXJN-LBPRGKRZSA-N 1 3 305.430 0.789 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000373040490 416947674 /nfs/dbraw/zinc/94/76/74/416947674.db2.gz SCFAVUSIBMVRCA-BXUZGUMPSA-N 1 3 318.425 0.415 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000520564799 416969058 /nfs/dbraw/zinc/96/90/58/416969058.db2.gz AMMDJUCCSSZXJU-KGLIPLIRSA-N 1 3 318.487 0.379 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000520771968 416972576 /nfs/dbraw/zinc/97/25/76/416972576.db2.gz LGIOINQCVWSQIG-CABCVRRESA-N 1 3 309.458 0.206 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CCN2CC[C@@H](O)C2)[C@H](C)C1 ZINC000624228490 416986191 /nfs/dbraw/zinc/98/61/91/416986191.db2.gz UBULBFFZSBKUIJ-ZACQAIPSSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CC[C@@H](O)C2)[C@H](C)C1 ZINC000624228490 416986198 /nfs/dbraw/zinc/98/61/98/416986198.db2.gz UBULBFFZSBKUIJ-ZACQAIPSSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CC[C@@H](O)C2)[C@H](C)C1 ZINC000624228490 416986206 /nfs/dbraw/zinc/98/62/06/416986206.db2.gz UBULBFFZSBKUIJ-ZACQAIPSSA-N 1 3 313.486 0.780 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000447435272 417000209 /nfs/dbraw/zinc/00/02/09/417000209.db2.gz NHHDVVQKQQYJII-CYBMUJFWSA-N 1 3 309.414 0.761 20 0 DCADHO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCC[NH2+]C1 ZINC000642785671 417097479 /nfs/dbraw/zinc/09/74/79/417097479.db2.gz CNGUOPLWQTZOLL-RHSMWYFYSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785740 417100738 /nfs/dbraw/zinc/10/07/38/417100738.db2.gz GHBNMQHZMDLRKL-NWANDNLSSA-N 1 3 322.453 0.315 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000642247043 417036793 /nfs/dbraw/zinc/03/67/93/417036793.db2.gz HDCSOKHGYUJUPK-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000642439352 417051422 /nfs/dbraw/zinc/05/14/22/417051422.db2.gz CEGKOJUZAIVGRR-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000642439390 417052254 /nfs/dbraw/zinc/05/22/54/417052254.db2.gz DTOVUXKWSNACEE-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000642440010 417056775 /nfs/dbraw/zinc/05/67/75/417056775.db2.gz VOOCSGIAXHAQFC-RRFJBIMHSA-N 1 3 324.469 0.705 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642712999 417076958 /nfs/dbraw/zinc/07/69/58/417076958.db2.gz AWHUACGRVBXIJZ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)[C@@H]1CCN(C2CC2)C1 ZINC000430888168 417077417 /nfs/dbraw/zinc/07/74/17/417077417.db2.gz HDZXGJPUKDFUMK-CQSZACIVSA-N 1 3 318.425 0.511 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N(C)C1CC1 ZINC000568094310 417079928 /nfs/dbraw/zinc/07/99/28/417079928.db2.gz CXGCXIYTPNNLAX-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000642724568 417081174 /nfs/dbraw/zinc/08/11/74/417081174.db2.gz YOANLDNNHUVOJH-GXTWGEPZSA-N 1 3 312.458 0.467 20 0 DCADHO CCC[NH+]1CCC(N(C)C[C@@H](O)CN(C)CCOC)CC1 ZINC000568165285 417089396 /nfs/dbraw/zinc/08/93/96/417089396.db2.gz KFFRKCXJXCYDNF-INIZCTEOSA-N 1 3 301.475 0.732 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642903871 417113634 /nfs/dbraw/zinc/11/36/34/417113634.db2.gz OLGCQFISAWLFLA-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903952 417114400 /nfs/dbraw/zinc/11/44/00/417114400.db2.gz PGLCHCJNVSDUGQ-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642903870 417115922 /nfs/dbraw/zinc/11/59/22/417115922.db2.gz OLGCQFISAWLFLA-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000637455660 417119113 /nfs/dbraw/zinc/11/91/13/417119113.db2.gz MWMYGDLSVLDTQN-BYNSBNAKSA-N 1 3 314.474 0.933 20 0 DCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000568490441 417142822 /nfs/dbraw/zinc/14/28/22/417142822.db2.gz SAVMFUJHWXOIHO-LSDHHAIUSA-N 1 3 312.458 0.785 20 0 DCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000568490441 417142829 /nfs/dbraw/zinc/14/28/29/417142829.db2.gz SAVMFUJHWXOIHO-LSDHHAIUSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CCOCC[NH3+] ZINC000626947581 417183945 /nfs/dbraw/zinc/18/39/45/417183945.db2.gz VFDMQWCSCMPFDE-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO CCN(CC[NH3+])C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000626971400 417192610 /nfs/dbraw/zinc/19/26/10/417192610.db2.gz GLHHPEIXABIEGS-UHFFFAOYSA-N 1 3 300.447 0.866 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637814978 417196116 /nfs/dbraw/zinc/19/61/16/417196116.db2.gz CMJVUPVYPNVVOX-CVEARBPZSA-N 1 3 304.438 0.704 20 0 DCADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000637822993 417198733 /nfs/dbraw/zinc/19/87/33/417198733.db2.gz HDNCEHGVXCRFCI-BBRMVZONSA-N 1 3 319.409 0.197 20 0 DCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637851398 417206606 /nfs/dbraw/zinc/20/66/06/417206606.db2.gz HVAAFUJIVYFKSP-WBVHZDCISA-N 1 3 306.454 0.935 20 0 DCADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856988 417211249 /nfs/dbraw/zinc/21/12/49/417211249.db2.gz RQRKSDLVMDIJOD-JKSUJKDBSA-N 1 3 307.438 0.840 20 0 DCADHO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CNCC[C@H]2C)cc1 ZINC000643454581 417211304 /nfs/dbraw/zinc/21/13/04/417211304.db2.gz LAZDIQQUHMDEKY-DOMZBBRYSA-N 1 3 311.451 0.823 20 0 DCADHO CN1CC[C@](O)(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000643481180 417222790 /nfs/dbraw/zinc/22/27/90/417222790.db2.gz DFKQADFBMOPRKH-RYQLBKOJSA-N 1 3 317.433 0.899 20 0 DCADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O ZINC000527568317 417265377 /nfs/dbraw/zinc/26/53/77/417265377.db2.gz IQPJBGCVHHVDKC-LACSLYJWSA-N 1 3 307.442 0.978 20 0 DCADHO CCn1cc(CCN2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000621775575 417292598 /nfs/dbraw/zinc/29/25/98/417292598.db2.gz SFMDZAAUBOCWPV-HNNXBMFYSA-N 1 3 307.442 0.765 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000627157672 417250620 /nfs/dbraw/zinc/25/06/20/417250620.db2.gz DFYIUODFEZVHAI-MELADBBJSA-N 1 3 321.429 0.224 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433389488 417263504 /nfs/dbraw/zinc/26/35/04/417263504.db2.gz XTQNGLLMCPEFDL-UONOGXRCSA-N 1 3 320.441 0.759 20 0 DCADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCN)cc2)C1 ZINC000415265349 417350539 /nfs/dbraw/zinc/35/05/39/417350539.db2.gz DUYUGQJIFGAENC-CYBMUJFWSA-N 1 3 318.421 0.932 20 0 DCADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCCN)cc2)C1 ZINC000415265349 417350546 /nfs/dbraw/zinc/35/05/46/417350546.db2.gz DUYUGQJIFGAENC-CYBMUJFWSA-N 1 3 318.421 0.932 20 0 DCADHO CC(C)CC[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000638139413 417351569 /nfs/dbraw/zinc/35/15/69/417351569.db2.gz DIVBDUSZFOJZGP-CVEARBPZSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)CC[C@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000638139413 417351575 /nfs/dbraw/zinc/35/15/75/417351575.db2.gz DIVBDUSZFOJZGP-CVEARBPZSA-N 1 3 310.486 0.988 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000627328588 417353632 /nfs/dbraw/zinc/35/36/32/417353632.db2.gz HACUJFCZIOIXCG-AWEZNQCLSA-N 1 3 312.458 0.278 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000627328588 417353638 /nfs/dbraw/zinc/35/36/38/417353638.db2.gz HACUJFCZIOIXCG-AWEZNQCLSA-N 1 3 312.458 0.278 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633094597 417356694 /nfs/dbraw/zinc/35/66/94/417356694.db2.gz KLXLRRLOIWHOQK-OKILXGFUSA-N 1 3 320.437 0.036 20 0 DCADHO CN(C)CCn1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000638166095 417359852 /nfs/dbraw/zinc/35/98/52/417359852.db2.gz UUVNFNFKLQWXOC-CFVMTHIKSA-N 1 3 305.426 0.644 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000569826472 417300758 /nfs/dbraw/zinc/30/07/58/417300758.db2.gz XWNMLAAKQVHXAU-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO NCC(=O)N1CCC[C@H](CN(CC[NH3+])CCc2ccccc2)C1 ZINC000414785788 417301681 /nfs/dbraw/zinc/30/16/81/417301681.db2.gz LTXZCVGOBSXCIB-QGZVFWFLSA-N 1 3 318.465 0.687 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000621833261 417312026 /nfs/dbraw/zinc/31/20/26/417312026.db2.gz FCLPDHMJCAMWOQ-LBPRGKRZSA-N 1 3 306.410 0.583 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000570177421 417321375 /nfs/dbraw/zinc/32/13/75/417321375.db2.gz ALBOONPHBOEWIX-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844607 417321864 /nfs/dbraw/zinc/32/18/64/417321864.db2.gz UINJHGQOFIISJL-WMLDXEAASA-N 1 3 322.453 0.174 20 0 DCADHO CNCc1ccccc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000415131085 417333181 /nfs/dbraw/zinc/33/31/81/417333181.db2.gz YLXMXLHVMSUKSZ-UHFFFAOYSA-N 1 3 306.410 0.849 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)[C@@]1(COC)CCCCN1 ZINC000638122249 417340656 /nfs/dbraw/zinc/34/06/56/417340656.db2.gz KFLIHPBWRQIHPA-HNNXBMFYSA-N 1 3 301.431 0.230 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)[C@@]1(COC)CCCCN1 ZINC000638122249 417340665 /nfs/dbraw/zinc/34/06/65/417340665.db2.gz KFLIHPBWRQIHPA-HNNXBMFYSA-N 1 3 301.431 0.230 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415214119 417343673 /nfs/dbraw/zinc/34/36/73/417343673.db2.gz MOAORDJYGISKDC-STQMWFEESA-N 1 3 308.430 1.084 20 0 DCADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC000638231404 417383931 /nfs/dbraw/zinc/38/39/31/417383931.db2.gz MNQDNBMBCKNUSB-FZNYLWTLSA-N 1 3 310.423 0.665 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638248687 417392736 /nfs/dbraw/zinc/39/27/36/417392736.db2.gz UDJHIFKCZALRKT-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000638262541 417395025 /nfs/dbraw/zinc/39/50/25/417395025.db2.gz MSKSQZWNTZIINV-HZPDHXFCSA-N 1 3 318.465 0.950 20 0 DCADHO NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000638360575 417432623 /nfs/dbraw/zinc/43/26/23/417432623.db2.gz WKVLFQRSCYVGPB-CYBMUJFWSA-N 1 3 309.435 0.908 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000638331381 417422732 /nfs/dbraw/zinc/42/27/32/417422732.db2.gz HILMXTNGDJCSBC-GPANFISMSA-N 1 3 308.470 0.803 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000638331381 417422736 /nfs/dbraw/zinc/42/27/36/417422736.db2.gz HILMXTNGDJCSBC-GPANFISMSA-N 1 3 308.470 0.803 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCN1C ZINC000570576963 417368146 /nfs/dbraw/zinc/36/81/46/417368146.db2.gz OVQVTLRCMFBASP-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529307147 417435276 /nfs/dbraw/zinc/43/52/76/417435276.db2.gz QKAGIGLXMYNYFQ-UONOGXRCSA-N 1 3 310.442 0.681 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)cn1 ZINC000638380584 417437284 /nfs/dbraw/zinc/43/72/84/417437284.db2.gz YDOQQBHLBZQUAX-UHFFFAOYSA-N 1 3 305.426 0.788 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638433546 417455774 /nfs/dbraw/zinc/45/57/74/417455774.db2.gz WROPMIHSTNAUCB-NSHDSACASA-N 1 3 319.409 0.641 20 0 DCADHO Cn1ncnc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000638462964 417466466 /nfs/dbraw/zinc/46/64/66/417466466.db2.gz PURPMXUYHTUYNA-UHFFFAOYSA-N 1 3 315.425 0.512 20 0 DCADHO C[NH2+]CCCC(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526779 417481221 /nfs/dbraw/zinc/48/12/21/417481221.db2.gz PVPIDBYWSDNQKH-UHFFFAOYSA-N 1 3 306.410 0.916 20 0 DCADHO OCC1(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000634720604 417537014 /nfs/dbraw/zinc/53/70/14/417537014.db2.gz MKBIDLNYLXGQEO-QGZVFWFLSA-N 1 3 306.406 0.222 20 0 DCADHO OCC1(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000634720604 417537018 /nfs/dbraw/zinc/53/70/18/417537018.db2.gz MKBIDLNYLXGQEO-QGZVFWFLSA-N 1 3 306.406 0.222 20 0 DCADHO [NH3+]Cc1ccc2c(c1)N(C(=O)CNC[C@H]1CCCO1)CCO2 ZINC000638803570 417561190 /nfs/dbraw/zinc/56/11/90/417561190.db2.gz NUGDVXQQMZCMIS-CYBMUJFWSA-N 1 3 305.378 0.639 20 0 DCADHO O=C(CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000576230917 417592738 /nfs/dbraw/zinc/59/27/38/417592738.db2.gz SMRNGHIMFMJXIZ-MRXNPFEDSA-N 1 3 308.470 0.616 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cn1 ZINC000639024684 417605506 /nfs/dbraw/zinc/60/55/06/417605506.db2.gz WJRYDODAGZECDP-UKRRQHHQSA-N 1 3 305.426 0.659 20 0 DCADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3(C)C)C2)CC1 ZINC000644536927 417616963 /nfs/dbraw/zinc/61/69/63/417616963.db2.gz AKNJOQHVVQQDCZ-UKRRQHHQSA-N 1 3 308.470 0.802 20 0 DCADHO COCCN1CC[C@@H](NC[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644554255 417618106 /nfs/dbraw/zinc/61/81/06/417618106.db2.gz VDODIANCKGAPJR-QZTJIDSGSA-N 1 3 321.465 0.790 20 0 DCADHO COCCN1CC[C@@H](NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644554255 417618110 /nfs/dbraw/zinc/61/81/10/417618110.db2.gz VDODIANCKGAPJR-QZTJIDSGSA-N 1 3 321.465 0.790 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457108949 417687127 /nfs/dbraw/zinc/68/71/27/417687127.db2.gz GMVRPMGSLQCNAY-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457108949 417687130 /nfs/dbraw/zinc/68/71/30/417687130.db2.gz GMVRPMGSLQCNAY-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC000635528320 417689917 /nfs/dbraw/zinc/68/99/17/417689917.db2.gz RDTFCGGIXQTCGG-XHSDSOJGSA-N 1 3 302.422 0.915 20 0 DCADHO COCC[N@H+](C)C[C@@H](O)CN1CCC([C@H]2CCCO2)CC1 ZINC000577122315 417665534 /nfs/dbraw/zinc/66/55/34/417665534.db2.gz QHCRJCHGXVNCPV-HZPDHXFCSA-N 1 3 300.443 0.817 20 0 DCADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC([C@H]2CCCO2)CC1 ZINC000577122315 417665539 /nfs/dbraw/zinc/66/55/39/417665539.db2.gz QHCRJCHGXVNCPV-HZPDHXFCSA-N 1 3 300.443 0.817 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000635992813 417829363 /nfs/dbraw/zinc/82/93/63/417829363.db2.gz XGTUHSGEVYEADT-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000635992813 417829367 /nfs/dbraw/zinc/82/93/67/417829367.db2.gz XGTUHSGEVYEADT-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645958587 417830582 /nfs/dbraw/zinc/83/05/82/417830582.db2.gz FYLQLNCPAZQHFW-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H]([NH2+]C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000662528965 417793921 /nfs/dbraw/zinc/79/39/21/417793921.db2.gz KDPTWQWCLFJOBS-HNNXBMFYSA-N 1 3 320.437 0.592 20 0 DCADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659781 417838789 /nfs/dbraw/zinc/83/87/89/417838789.db2.gz PIEYTQDMGBSICR-ZDUSSCGKSA-N 1 3 314.474 0.489 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662693851 417855616 /nfs/dbraw/zinc/85/56/16/417855616.db2.gz MHMOXXNPISUWAT-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cn1 ZINC000662699865 417858842 /nfs/dbraw/zinc/85/88/42/417858842.db2.gz FBEONSVZQRDXST-LBPRGKRZSA-N 1 3 319.331 0.925 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cn1 ZINC000636110077 417870498 /nfs/dbraw/zinc/87/04/98/417870498.db2.gz HOQGBXRDSLRLNX-KGLIPLIRSA-N 1 3 307.442 0.903 20 0 DCADHO COC1CCN(CCNC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315627 417881205 /nfs/dbraw/zinc/88/12/05/417881205.db2.gz ZLDFADMZJFDHKL-UHFFFAOYSA-N 1 3 312.458 0.786 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC[C@H]1CCCCN1CCO ZINC000652322635 417884539 /nfs/dbraw/zinc/88/45/39/417884539.db2.gz QDHNISJVTGXDPT-OAHLLOKOSA-N 1 3 312.458 0.522 20 0 DCADHO C[C@H](CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)CS(C)(=O)=O ZINC000652348992 417887523 /nfs/dbraw/zinc/88/75/23/417887523.db2.gz YCCWTNTXDIJLSV-QPSCCSFWSA-N 1 3 318.483 0.885 20 0 DCADHO CN(C)C(=O)[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000652341092 417889270 /nfs/dbraw/zinc/88/92/70/417889270.db2.gz AWOIFPQXDMGNSK-INIZCTEOSA-N 1 3 302.422 0.194 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000662665151 417840196 /nfs/dbraw/zinc/84/01/96/417840196.db2.gz IJWPOBAJLGDSJM-JYJNAYRXSA-N 1 3 303.406 0.741 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000652612675 417932168 /nfs/dbraw/zinc/93/21/68/417932168.db2.gz ZHGBWRGNFFVEME-OLZOCXBDSA-N 1 3 306.414 0.803 20 0 DCADHO CN(C(=O)[C@@H](N)CC(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901350 417943553 /nfs/dbraw/zinc/94/35/53/417943553.db2.gz VSCHHIWGWUHDRD-STQMWFEESA-N 1 3 318.412 0.596 20 0 DCADHO CN(C(=O)[C@@H](N)CC(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901350 417943556 /nfs/dbraw/zinc/94/35/56/417943556.db2.gz VSCHHIWGWUHDRD-STQMWFEESA-N 1 3 318.412 0.596 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652682921 417944583 /nfs/dbraw/zinc/94/45/83/417944583.db2.gz YUQSKMLQLZBWEN-UHFFFAOYSA-N 1 3 310.442 0.080 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000652699714 417947499 /nfs/dbraw/zinc/94/74/99/417947499.db2.gz CDLGDMZXOLFPER-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCC[C@H](C)C1 ZINC000652710606 417953288 /nfs/dbraw/zinc/95/32/88/417953288.db2.gz VYUCNJKHBDCLTL-KBPBESRZSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652724610 417957243 /nfs/dbraw/zinc/95/72/43/417957243.db2.gz HIIJIMYPTSFAAF-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000652731820 417959311 /nfs/dbraw/zinc/95/93/11/417959311.db2.gz WBFONZUWHQVCKO-QGZVFWFLSA-N 1 3 322.453 0.143 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000652737845 417963166 /nfs/dbraw/zinc/96/31/66/417963166.db2.gz WSKIQFXYSPMKBH-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000652737844 417963258 /nfs/dbraw/zinc/96/32/58/417963258.db2.gz WSKIQFXYSPMKBH-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000662987177 417973583 /nfs/dbraw/zinc/97/35/83/417973583.db2.gz RLDLLVCROTYWIR-KFWWJZLASA-N 1 3 322.453 0.269 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658700844 418009800 /nfs/dbraw/zinc/00/98/00/418009800.db2.gz ULSZFIKETCLWDD-CABCVRRESA-N 1 3 322.453 0.092 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658700844 418009802 /nfs/dbraw/zinc/00/98/02/418009802.db2.gz ULSZFIKETCLWDD-CABCVRRESA-N 1 3 322.453 0.092 20 0 DCADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000647549855 418020935 /nfs/dbraw/zinc/02/09/35/418020935.db2.gz UEQQXVDMFSKRHD-JLNYLFASSA-N 1 3 303.410 0.503 20 0 DCADHO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663503538 418026896 /nfs/dbraw/zinc/02/68/96/418026896.db2.gz OPDBKMSAEMSYJF-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663503538 418026898 /nfs/dbraw/zinc/02/68/98/418026898.db2.gz OPDBKMSAEMSYJF-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)Cc1ccccc1 ZINC000653105898 418026996 /nfs/dbraw/zinc/02/69/96/418026996.db2.gz NAYSARBVXFXLOF-HOTGVXAUSA-N 1 3 306.454 0.555 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000647596671 418031859 /nfs/dbraw/zinc/03/18/59/418031859.db2.gz HDPDJGSEUSVQKZ-MJBXVCDLSA-N 1 3 310.442 0.315 20 0 DCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653121804 418032122 /nfs/dbraw/zinc/03/21/22/418032122.db2.gz BYIPCPMCZQXPFZ-IRXDYDNUSA-N 1 3 318.465 0.998 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653125367 418034045 /nfs/dbraw/zinc/03/40/45/418034045.db2.gz WVNYNUUNDXJYEH-GVDBMIGSSA-N 1 3 320.481 0.755 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653124972 418034390 /nfs/dbraw/zinc/03/43/90/418034390.db2.gz NVCUEQNUZGYDQP-OIISXLGYSA-N 1 3 322.497 0.907 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C1 ZINC000653124848 418034435 /nfs/dbraw/zinc/03/44/35/418034435.db2.gz IXJBRSBTRDRFNA-ARFHVFGLSA-N 1 3 308.470 0.742 20 0 DCADHO C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000653164603 418040243 /nfs/dbraw/zinc/04/02/43/418040243.db2.gz YYPBHPXALOTNCB-AEGPPILISA-N 1 3 308.401 0.358 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000641180936 417983046 /nfs/dbraw/zinc/98/30/46/417983046.db2.gz ILDQYVWYZBESGP-PMPSAXMXSA-N 1 3 323.485 0.678 20 0 DCADHO CC1(OCC(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CNC1 ZINC000648178035 418114927 /nfs/dbraw/zinc/11/49/27/418114927.db2.gz LJHWVNQANJKORS-KBPBESRZSA-N 1 3 311.426 0.110 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659551315 418116072 /nfs/dbraw/zinc/11/60/72/418116072.db2.gz AIJDBHRQLLTUEP-SNPRPXQTSA-N 1 3 310.442 0.666 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CCOC1 ZINC000664224942 418100142 /nfs/dbraw/zinc/10/01/42/418100142.db2.gz UXGYTDWCLBVDSZ-ZNMIVQPWSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CCOC1 ZINC000664224942 418100143 /nfs/dbraw/zinc/10/01/43/418100143.db2.gz UXGYTDWCLBVDSZ-ZNMIVQPWSA-N 1 3 314.474 0.983 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NCC2([NH3+])CCCC2)CCSC1 ZINC000659463697 418101122 /nfs/dbraw/zinc/10/11/22/418101122.db2.gz ZDMNQFVHXARGOK-CQSZACIVSA-N 1 3 300.472 0.994 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659480800 418103818 /nfs/dbraw/zinc/10/38/18/418103818.db2.gz SXZGYADRUNINDF-CZUORRHYSA-N 1 3 320.437 0.660 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000659618243 418128753 /nfs/dbraw/zinc/12/87/53/418128753.db2.gz DZLKDXQFDWVMDU-ZIAGYGMSSA-N 1 3 300.447 0.506 20 0 DCADHO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654374539 418137197 /nfs/dbraw/zinc/13/71/97/418137197.db2.gz QHKBLSRTNGHLMH-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654374539 418137200 /nfs/dbraw/zinc/13/72/00/418137200.db2.gz QHKBLSRTNGHLMH-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659674937 418142084 /nfs/dbraw/zinc/14/20/84/418142084.db2.gz KCVSZBOFZFKZHJ-CHWSQXEVSA-N 1 3 300.447 0.323 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000659680442 418144520 /nfs/dbraw/zinc/14/45/20/418144520.db2.gz GAXPVUMFYPUZKS-RFQIPJPRSA-N 1 3 312.458 0.193 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCC(C)CC1 ZINC000659688884 418147333 /nfs/dbraw/zinc/14/73/33/418147333.db2.gz NJKHWKWIEVPDLY-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000659696564 418150900 /nfs/dbraw/zinc/15/09/00/418150900.db2.gz CQCZRHLCKHDSDL-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000659718856 418161825 /nfs/dbraw/zinc/16/18/25/418161825.db2.gz SRHLZZKYZMMIGN-MELADBBJSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCC[C@@H](C)C1 ZINC000659734953 418169688 /nfs/dbraw/zinc/16/96/88/418169688.db2.gz WNGUVPJNPBHSIY-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000659738712 418170632 /nfs/dbraw/zinc/17/06/32/418170632.db2.gz ITAFONVYMWZYAQ-AJNGGQMLSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000659742798 418173355 /nfs/dbraw/zinc/17/33/55/418173355.db2.gz WFXGAVGUZXNYPZ-HZSPNIEDSA-N 1 3 310.442 0.171 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000649344403 418243950 /nfs/dbraw/zinc/24/39/50/418243950.db2.gz WASINKVCFIZKDN-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000665213401 418185177 /nfs/dbraw/zinc/18/51/77/418185177.db2.gz TUXZWCFFXXJIMF-IHRRRGAJSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000665213401 418185179 /nfs/dbraw/zinc/18/51/79/418185179.db2.gz TUXZWCFFXXJIMF-IHRRRGAJSA-N 1 3 300.447 0.735 20 0 DCADHO CCCN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000660711295 418284498 /nfs/dbraw/zinc/28/44/98/418284498.db2.gz WOCOYLOYQKCBCL-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655915441 418299804 /nfs/dbraw/zinc/29/98/04/418299804.db2.gz NIIIHCPQSAVHER-VIFPVBQESA-N 1 3 300.325 0.096 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655919696 418301127 /nfs/dbraw/zinc/30/11/27/418301127.db2.gz QPUKTCASVWTEAB-SECBINFHSA-N 1 3 300.325 0.144 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656020079 418317384 /nfs/dbraw/zinc/31/73/84/418317384.db2.gz MXUBTIUAWQVKFX-SOUVJXGZSA-N 1 3 322.453 0.378 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000656024575 418319311 /nfs/dbraw/zinc/31/93/11/418319311.db2.gz MUQACZSPPSTRBF-KWCYVHTRSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656024097 418319720 /nfs/dbraw/zinc/31/97/20/418319720.db2.gz JGGBRPBDTGCQLX-BARDWOONSA-N 1 3 322.453 0.234 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656026006 418320442 /nfs/dbraw/zinc/32/04/42/418320442.db2.gz ZIRUUSICYASOSK-BARDWOONSA-N 1 3 322.453 0.363 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656025582 418320643 /nfs/dbraw/zinc/32/06/43/418320643.db2.gz NVNRHDRZAKYEHJ-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656028856 418321072 /nfs/dbraw/zinc/32/10/72/418321072.db2.gz SHMGREYPAPTMRP-RRFJBIMHSA-N 1 3 322.453 0.459 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656081500 418325531 /nfs/dbraw/zinc/32/55/31/418325531.db2.gz VVHKJEZYTCSHLT-OKILXGFUSA-N 1 3 312.458 0.241 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655468369 418265630 /nfs/dbraw/zinc/26/56/30/418265630.db2.gz MZEACSPYERMNOI-WBVHZDCISA-N 1 3 308.470 0.472 20 0 DCADHO CN(CCN1CCN(CC[NH+](C)C)C(=O)C1)Cc1ccccc1 ZINC000649685103 418267364 /nfs/dbraw/zinc/26/73/64/418267364.db2.gz OFJBEELRHCAOBM-UHFFFAOYSA-N 1 3 318.465 0.824 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COC1CCOCC1)C2 ZINC000660657992 418279212 /nfs/dbraw/zinc/27/92/12/418279212.db2.gz VELHTZYXSZDBOU-RDJZCZTQSA-N 1 3 312.454 0.961 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COC1CCOCC1)C2 ZINC000660657992 418279214 /nfs/dbraw/zinc/27/92/14/418279214.db2.gz VELHTZYXSZDBOU-RDJZCZTQSA-N 1 3 312.454 0.961 20 0 DCADHO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656353794 418349312 /nfs/dbraw/zinc/34/93/12/418349312.db2.gz CPNXZOUDIPLDAA-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000661662886 418352952 /nfs/dbraw/zinc/35/29/52/418352952.db2.gz CQTBCBASMNAXQN-SOUVJXGZSA-N 1 3 322.453 0.138 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)c1cc2c(s1)CCNC2 ZINC000662412842 418408599 /nfs/dbraw/zinc/40/85/99/418408599.db2.gz RKHAYJJDUZDGHB-UHFFFAOYSA-N 1 3 308.451 0.371 20 0 DCADHO CC[C@@H]([NH2+]C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000662439834 418410137 /nfs/dbraw/zinc/41/01/37/418410137.db2.gz GQQWFUJWGBYPLT-OAHLLOKOSA-N 1 3 320.437 0.592 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H](CN)C(F)(F)F)CC1 ZINC000662327931 418401806 /nfs/dbraw/zinc/40/18/06/418401806.db2.gz CAGHYIDAJIWFCL-LLVKDONJSA-N 1 3 310.364 0.408 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000420330897 287587579 /nfs/dbraw/zinc/58/75/79/287587579.db2.gz IJZWDMFVNDFSTP-CZUORRHYSA-N 1 3 308.470 0.789 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000187205555 261122786 /nfs/dbraw/zinc/12/27/86/261122786.db2.gz ZHJAECMXJPJDEC-GJZGRUSLSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000187205555 261122788 /nfs/dbraw/zinc/12/27/88/261122788.db2.gz ZHJAECMXJPJDEC-GJZGRUSLSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000187349220 261123553 /nfs/dbraw/zinc/12/35/53/261123553.db2.gz QSFWMMRATWBVGV-KBPBESRZSA-N 1 3 300.447 0.473 20 0 DCADHO CC1CCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354691243 261260036 /nfs/dbraw/zinc/26/00/36/261260036.db2.gz MDZZZHFUGDWYNL-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354785069 261271796 /nfs/dbraw/zinc/27/17/96/261271796.db2.gz IKIIHAHHHGERKF-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354804950 261274163 /nfs/dbraw/zinc/27/41/63/261274163.db2.gz PAZNFQODBIKSEX-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1C[C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000358696809 261695648 /nfs/dbraw/zinc/69/56/48/261695648.db2.gz URHRUZWHJZFZRG-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000370771792 262148508 /nfs/dbraw/zinc/14/85/08/262148508.db2.gz IBOSXXBRGRMAQL-HNNXBMFYSA-N 1 3 301.406 0.694 20 0 DCADHO C[N@H+](CCCNC(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000417015570 262243241 /nfs/dbraw/zinc/24/32/41/262243241.db2.gz MSLXAZZCQCPHMY-OAHLLOKOSA-N 1 3 312.458 0.929 20 0 DCADHO C[N@@H+](CCCNC(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000417015570 262243242 /nfs/dbraw/zinc/24/32/42/262243242.db2.gz MSLXAZZCQCPHMY-OAHLLOKOSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417027624 262243937 /nfs/dbraw/zinc/24/39/37/262243937.db2.gz NTSYEGBPBKGENW-QLFBSQMISA-N 1 3 312.458 0.642 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417027624 262243938 /nfs/dbraw/zinc/24/39/38/262243938.db2.gz NTSYEGBPBKGENW-QLFBSQMISA-N 1 3 312.458 0.642 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000417545288 262255435 /nfs/dbraw/zinc/25/54/35/262255435.db2.gz IVPUEQOJRMUHRB-ZDUSSCGKSA-N 1 3 312.458 0.927 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000417847560 262263759 /nfs/dbraw/zinc/26/37/59/262263759.db2.gz ZHDVWLRLOSRGIF-GJZGRUSLSA-N 1 3 318.421 0.233 20 0 DCADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccco1 ZINC000418168936 262271764 /nfs/dbraw/zinc/27/17/64/262271764.db2.gz OWBDOKRLDYVIJX-BFHYXJOUSA-N 1 3 324.425 0.996 20 0 DCADHO [NH3+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418310482 262274367 /nfs/dbraw/zinc/27/43/67/262274367.db2.gz YJCNOJCMYKZNGF-CABCVRRESA-N 1 3 306.410 0.127 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)[C@H]1CCC[NH2+]C1 ZINC000418314019 262274394 /nfs/dbraw/zinc/27/43/94/262274394.db2.gz RLCCWHGTKKDQPU-KKUMJFAQSA-N 1 3 312.458 0.521 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418361505 262275438 /nfs/dbraw/zinc/27/54/38/262275438.db2.gz CLTFHJYIGGQQKZ-KGLIPLIRSA-N 1 3 300.447 0.234 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418639076 262284415 /nfs/dbraw/zinc/28/44/15/262284415.db2.gz PFODXYANOPNHIQ-ZBFHGGJFSA-N 1 3 317.437 0.076 20 0 DCADHO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(CCCO)C1 ZINC000418744506 262287199 /nfs/dbraw/zinc/28/71/99/262287199.db2.gz FBRTUBTUTKCVJY-HUUCEWRRSA-N 1 3 312.458 0.665 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419018035 262305553 /nfs/dbraw/zinc/30/55/53/262305553.db2.gz BIZKTWZYKCZEFC-MELADBBJSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419071421 262306230 /nfs/dbraw/zinc/30/62/30/262306230.db2.gz ABIXKLUAVSKVRZ-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419082253 262307755 /nfs/dbraw/zinc/30/77/55/262307755.db2.gz UJTJLNWVGWLNGN-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419096433 262309004 /nfs/dbraw/zinc/30/90/04/262309004.db2.gz CIQLSILMUGQGOY-AWEZNQCLSA-N 1 3 322.453 0.403 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCCC1 ZINC000419119734 262310441 /nfs/dbraw/zinc/31/04/41/262310441.db2.gz SNZJKMCWJHPBIU-UHFFFAOYSA-N 1 3 322.453 0.507 20 0 DCADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000419163423 262315154 /nfs/dbraw/zinc/31/51/54/262315154.db2.gz WIRDVECJONCNTH-OAHLLOKOSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CCC(C)CC1 ZINC000419160961 262315189 /nfs/dbraw/zinc/31/51/89/262315189.db2.gz QYATUNLYYMFOBV-RBSFLKMASA-N 1 3 324.469 0.480 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419171868 262316765 /nfs/dbraw/zinc/31/67/65/262316765.db2.gz PXRCKKJOWPRSBE-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419233553 262321912 /nfs/dbraw/zinc/32/19/12/262321912.db2.gz WIJDQFTZXMSSIK-GJZGRUSLSA-N 1 3 322.453 0.235 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419411913 262331854 /nfs/dbraw/zinc/33/18/54/262331854.db2.gz CBZBYRXGNYDLIL-OAHLLOKOSA-N 1 3 318.421 0.275 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419596050 262339509 /nfs/dbraw/zinc/33/95/09/262339509.db2.gz XLRDRXWVMTWUQF-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419595392 262339572 /nfs/dbraw/zinc/33/95/72/262339572.db2.gz WNLXRTVKDVFEDE-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO NC[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419642543 262343566 /nfs/dbraw/zinc/34/35/66/262343566.db2.gz MEIKDQHNAFLPQS-OAHLLOKOSA-N 1 3 322.453 0.317 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419648400 262344076 /nfs/dbraw/zinc/34/40/76/262344076.db2.gz SASISBNKBVOKID-UHFFFAOYSA-N 1 3 306.410 0.090 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H]1CN ZINC000419690082 262345076 /nfs/dbraw/zinc/34/50/76/262345076.db2.gz BISDLWLTOOTZBN-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@H]1CN ZINC000419690082 262345078 /nfs/dbraw/zinc/34/50/78/262345078.db2.gz BISDLWLTOOTZBN-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419692118 262345956 /nfs/dbraw/zinc/34/59/56/262345956.db2.gz FXXFZKANLXRPIM-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419692118 262345957 /nfs/dbraw/zinc/34/59/57/262345957.db2.gz FXXFZKANLXRPIM-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000419837150 262347929 /nfs/dbraw/zinc/34/79/29/262347929.db2.gz WGTHGXTVENERSR-QLFBSQMISA-N 1 3 322.453 0.363 20 0 DCADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000419837150 262347930 /nfs/dbraw/zinc/34/79/30/262347930.db2.gz WGTHGXTVENERSR-QLFBSQMISA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419980498 262354918 /nfs/dbraw/zinc/35/49/18/262354918.db2.gz QZQKOJQTEZXZOK-RBSFLKMASA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000419979265 262355346 /nfs/dbraw/zinc/35/53/46/262355346.db2.gz PEDVEJFFHZHPAY-KBPBESRZSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000419994186 262356598 /nfs/dbraw/zinc/35/65/98/262356598.db2.gz GFCCQEJMMDVTDH-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCC1 ZINC000420072494 262358972 /nfs/dbraw/zinc/35/89/72/262358972.db2.gz MYSSLTBSJAAXQP-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420087153 262359932 /nfs/dbraw/zinc/35/99/32/262359932.db2.gz PKGNKEPWSBKOOM-KGLIPLIRSA-N 1 3 310.442 0.221 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420096367 262360808 /nfs/dbraw/zinc/36/08/08/262360808.db2.gz ZPRMJVIYMHTFSU-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420096367 262360809 /nfs/dbraw/zinc/36/08/09/262360809.db2.gz ZPRMJVIYMHTFSU-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420107711 262361406 /nfs/dbraw/zinc/36/14/06/262361406.db2.gz TUMIYQRMFZWZGI-CZUORRHYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423158623 262430772 /nfs/dbraw/zinc/43/07/72/262430772.db2.gz WWENLHZIDQPYCP-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N(C)C ZINC000359190276 271102868 /nfs/dbraw/zinc/10/28/68/271102868.db2.gz RWCGGZPSNYIWLO-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)N(C)C ZINC000359190276 271102873 /nfs/dbraw/zinc/10/28/73/271102873.db2.gz RWCGGZPSNYIWLO-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC[NH3+] ZINC000418295059 271241108 /nfs/dbraw/zinc/24/11/08/271241108.db2.gz IEMVUPWOCDKEHB-MRXNPFEDSA-N 1 3 306.410 0.224 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418439110 271244633 /nfs/dbraw/zinc/24/46/33/271244633.db2.gz JPQZVAUJCJZBEB-LSDHHAIUSA-N 1 3 314.474 0.752 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419028834 271267695 /nfs/dbraw/zinc/26/76/95/271267695.db2.gz QNXFSYYOQSVIHF-CBBWQLFWSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419031347 271267703 /nfs/dbraw/zinc/26/77/03/271267703.db2.gz VEWFVZPEONJGQU-LJISPDSOSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419031844 271267982 /nfs/dbraw/zinc/26/79/82/271267982.db2.gz VUNNFJXUOHYOIJ-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN)C1 ZINC000419032095 271268292 /nfs/dbraw/zinc/26/82/92/271268292.db2.gz WBOJURRXIBSFLR-BETUJISGSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN)C1 ZINC000419032095 271268295 /nfs/dbraw/zinc/26/82/95/271268295.db2.gz WBOJURRXIBSFLR-BETUJISGSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419033168 271269060 /nfs/dbraw/zinc/26/90/60/271269060.db2.gz XZLGIIYPXUCQCF-LMRVLLHPSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419141007 271275885 /nfs/dbraw/zinc/27/58/85/271275885.db2.gz AGOWMFJUNAIOBC-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H](CN)C1CC1)C(C)(C)C ZINC000419141342 271275964 /nfs/dbraw/zinc/27/59/64/271275964.db2.gz WWPXIXPEEWWBPN-OLZOCXBDSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1C[NH3+] ZINC000419247547 271278032 /nfs/dbraw/zinc/27/80/32/271278032.db2.gz XFFCYXYZQRDADQ-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419246766 271278591 /nfs/dbraw/zinc/27/85/91/271278591.db2.gz WLCDTDQWHPPTFA-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@@H]1CCCCN1CC)[C@@H]1CC[NH2+]C1 ZINC000419577341 271309204 /nfs/dbraw/zinc/30/92/04/271309204.db2.gz CWNFGNFWTLGHGF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419578008 271310028 /nfs/dbraw/zinc/31/00/28/271310028.db2.gz DNQOBOYALFWQRD-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419815508 271328107 /nfs/dbraw/zinc/32/81/07/271328107.db2.gz JXHBVPMJJOECCV-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419815508 271328108 /nfs/dbraw/zinc/32/81/08/271328108.db2.gz JXHBVPMJJOECCV-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H](CN)C1CCCC1)C[NH+]1CCCC1 ZINC000419833018 271332678 /nfs/dbraw/zinc/33/26/78/271332678.db2.gz SEAXPLGVUCXUDP-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419933142 271344109 /nfs/dbraw/zinc/34/41/09/271344109.db2.gz FGWCJFXKVAUKNN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419946572 271348293 /nfs/dbraw/zinc/34/82/93/271348293.db2.gz BBNIXRJFNFPRCE-ZNMIVQPWSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000420011229 271352010 /nfs/dbraw/zinc/35/20/10/271352010.db2.gz GLLMGCCZBATNDP-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000420011229 271352011 /nfs/dbraw/zinc/35/20/11/271352011.db2.gz GLLMGCCZBATNDP-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1N(C)C ZINC000420171928 271362306 /nfs/dbraw/zinc/36/23/06/271362306.db2.gz UQFDGNAQHOZCHC-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](N)C[C@H](C)[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422827220 271386329 /nfs/dbraw/zinc/38/63/29/271386329.db2.gz MTUQZXDXEIQICU-CABCVRRESA-N 1 3 306.458 0.704 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NCCCN1CCN(c2ncccn2)CC1 ZINC000422827220 271386333 /nfs/dbraw/zinc/38/63/33/271386333.db2.gz MTUQZXDXEIQICU-CABCVRRESA-N 1 3 306.458 0.704 20 0 DCADHO CN(CCNC(=O)c1cn(CCC[NH3+])nn1)Cc1ccccc1 ZINC000423358088 271393898 /nfs/dbraw/zinc/39/38/98/271393898.db2.gz SXPMMGDCRIGDCG-UHFFFAOYSA-N 1 3 316.409 0.489 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000459893386 272017242 /nfs/dbraw/zinc/01/72/42/272017242.db2.gz GKRBXHYRZVJFJX-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000459928749 272020609 /nfs/dbraw/zinc/02/06/09/272020609.db2.gz YSSVJKKKJFXZNJ-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489610038 272064433 /nfs/dbraw/zinc/06/44/33/272064433.db2.gz XPEMPMBPGRIHAL-QLFBSQMISA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489610036 272064759 /nfs/dbraw/zinc/06/47/59/272064759.db2.gz XPEMPMBPGRIHAL-ILXRZTDVSA-N 1 3 312.458 0.879 20 0 DCADHO C[NH+](C)C/C=C\C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000492313239 272123137 /nfs/dbraw/zinc/12/31/37/272123137.db2.gz OPFVYNOJZMXLLV-GCZRAQGHSA-N 1 3 317.433 0.856 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2C)CCN1C(=O)[C@@H]1CCCN1C ZINC000511903300 272398132 /nfs/dbraw/zinc/39/81/32/272398132.db2.gz ACKBYSNPGAZEOU-KKUMJFAQSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000511903300 272398133 /nfs/dbraw/zinc/39/81/33/272398133.db2.gz ACKBYSNPGAZEOU-KKUMJFAQSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000511903300 272398135 /nfs/dbraw/zinc/39/81/35/272398135.db2.gz ACKBYSNPGAZEOU-KKUMJFAQSA-N 1 3 322.453 0.234 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)C1CC1 ZINC000523004913 272554514 /nfs/dbraw/zinc/55/45/14/272554514.db2.gz QBQLINIVAOIVPR-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)C1CC1 ZINC000523004913 272554516 /nfs/dbraw/zinc/55/45/16/272554516.db2.gz QBQLINIVAOIVPR-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000515342234 287652473 /nfs/dbraw/zinc/65/24/73/287652473.db2.gz KXDOYUVVJBAGQD-LSDHHAIUSA-N 1 3 313.490 0.639 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(N(C)C)c1 ZINC000531357153 287775530 /nfs/dbraw/zinc/77/55/30/287775530.db2.gz XYGDIWVHYFUJFJ-UHFFFAOYSA-N 1 3 307.442 0.713 20 0 DCADHO CO[C@H]1CCC[C@@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000538191303 287875764 /nfs/dbraw/zinc/87/57/64/287875764.db2.gz NLZVRKGEIKCOPU-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCCCN1S(C)(=O)=O ZINC000353954150 288077419 /nfs/dbraw/zinc/07/74/19/288077419.db2.gz IXMSJDOCNIJFEW-MCIONIFRSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCCCN1S(C)(=O)=O ZINC000353954150 288077420 /nfs/dbraw/zinc/07/74/20/288077420.db2.gz IXMSJDOCNIJFEW-MCIONIFRSA-N 1 3 303.472 0.730 20 0 DCADHO C[N@H+](CCO)C1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000548180204 288118228 /nfs/dbraw/zinc/11/82/28/288118228.db2.gz QMPVTJURSWPARF-UHFFFAOYSA-N 1 3 324.469 0.711 20 0 DCADHO C[N@@H+](CCO)C1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000548180204 288118230 /nfs/dbraw/zinc/11/82/30/288118230.db2.gz QMPVTJURSWPARF-UHFFFAOYSA-N 1 3 324.469 0.711 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340787468 279307268 /nfs/dbraw/zinc/30/72/68/279307268.db2.gz AFTGZNIGWDJDDW-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340787468 279307270 /nfs/dbraw/zinc/30/72/70/279307270.db2.gz AFTGZNIGWDJDDW-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000418830001 279480274 /nfs/dbraw/zinc/48/02/74/279480274.db2.gz HLLXUOULMDVAIN-ZFWWWQNUSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3COC[C@H]3O)CC2)C[C@H](C)O1 ZINC000340274442 288157477 /nfs/dbraw/zinc/15/74/77/288157477.db2.gz CCIOJYZWQZXPPR-YALNPMBYSA-N 1 3 312.454 0.957 20 0 DCADHO O=C(C1CCN(C2CC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563087241 288626986 /nfs/dbraw/zinc/62/69/86/288626986.db2.gz KXBDHHWQFACBJD-INIZCTEOSA-N 1 3 306.454 0.367 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000565253459 288839126 /nfs/dbraw/zinc/83/91/26/288839126.db2.gz JMOSNRIORSSGFN-ZNMIVQPWSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H](Oc1cccnc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000565328021 288844846 /nfs/dbraw/zinc/84/48/46/288844846.db2.gz VHBJEJKMJWFMBJ-CQSZACIVSA-N 1 3 308.426 0.801 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000346265385 288944772 /nfs/dbraw/zinc/94/47/72/288944772.db2.gz ANBOPYFFNYEGAQ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CCC([NH3+])CC1)c1ccccc1 ZINC000262066720 289352559 /nfs/dbraw/zinc/35/25/59/289352559.db2.gz FOYTXSUDSXOAGO-MRXNPFEDSA-N 1 3 304.438 0.829 20 0 DCADHO CSC1(CNC(=O)N(C)C2CC([NH3+])C2)CCN(C)CC1 ZINC000331952947 295575553 /nfs/dbraw/zinc/57/55/53/295575553.db2.gz ZVPQKWLXNSGLPQ-UHFFFAOYSA-N 1 3 300.472 0.945 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000582713280 337123964 /nfs/dbraw/zinc/12/39/64/337123964.db2.gz OFRZDHNFNKFSKS-UHFFFAOYSA-N 1 3 318.421 0.727 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000582713280 337123965 /nfs/dbraw/zinc/12/39/65/337123965.db2.gz OFRZDHNFNKFSKS-UHFFFAOYSA-N 1 3 318.421 0.727 20 0 DCADHO O=C(C[C@@H]1CNCCO1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000582785012 337161301 /nfs/dbraw/zinc/16/13/01/337161301.db2.gz OOSUPWLGYYIGNI-LLVKDONJSA-N 1 3 310.423 0.927 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCOC2(CNC2)C1 ZINC000584665832 337380973 /nfs/dbraw/zinc/38/09/73/337380973.db2.gz BGIRLZUYRRXARG-CQSZACIVSA-N 1 3 310.442 0.491 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000576155954 341830096 /nfs/dbraw/zinc/83/00/96/341830096.db2.gz PEEJWZKNNJOWMK-GXTWGEPZSA-N 1 3 311.426 0.376 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577076792 341884085 /nfs/dbraw/zinc/88/40/85/341884085.db2.gz LIAMYVGHLLVOOW-BFHYXJOUSA-N 1 3 318.487 0.507 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)C2)CC1 ZINC000577369400 341906249 /nfs/dbraw/zinc/90/62/49/341906249.db2.gz AGJKDXDURBMIKA-CVEARBPZSA-N 1 3 308.470 0.741 20 0 DCADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001447431542 1159639108 /nfs/dbraw/zinc/63/91/08/1159639108.db2.gz WXKYMMLWGFAJLV-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001568379879 1160637741 /nfs/dbraw/zinc/63/77/41/1160637741.db2.gz YPRREZBVIRPVKP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568865289 1160825658 /nfs/dbraw/zinc/82/56/58/1160825658.db2.gz AQOATUPGNYDTPJ-MRYXHSKJSA-N 1 3 310.442 0.257 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568865289 1160825670 /nfs/dbraw/zinc/82/56/70/1160825670.db2.gz AQOATUPGNYDTPJ-MRYXHSKJSA-N 1 3 310.442 0.257 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CCCO ZINC001569850805 1161284768 /nfs/dbraw/zinc/28/47/68/1161284768.db2.gz KLDLIRDUACYWIM-CVEARBPZSA-N 1 3 311.470 0.785 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)CNC(=O)[C@H](N)C(C)C)CC1 ZINC000336860919 517561485 /nfs/dbraw/zinc/56/14/85/517561485.db2.gz WBUJNJMHOGXYIO-OAHLLOKOSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369048730 524048569 /nfs/dbraw/zinc/04/85/69/524048569.db2.gz XJCPAGSNBUSITI-HOTGVXAUSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365988274 524917840 /nfs/dbraw/zinc/91/78/40/524917840.db2.gz SRQZLUKGEVDTQI-OJLVUWQFSA-N 1 3 322.453 0.632 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365988274 524917848 /nfs/dbraw/zinc/91/78/48/524917848.db2.gz SRQZLUKGEVDTQI-OJLVUWQFSA-N 1 3 322.453 0.632 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)CCC[NH+](C)C ZINC001664146363 1174403264 /nfs/dbraw/zinc/40/32/64/1174403264.db2.gz JOTOLLRYPHTZMU-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)o1)N(C)C ZINC000268749876 545989228 /nfs/dbraw/zinc/98/92/28/545989228.db2.gz HCAMLXDZELSMJM-VXGBXAGGSA-N 1 3 324.425 0.639 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333830938 546093120 /nfs/dbraw/zinc/09/31/20/546093120.db2.gz MNJVOWAEVYIDOY-QLFBSQMISA-N 1 3 311.474 0.452 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000342084873 546117711 /nfs/dbraw/zinc/11/77/11/546117711.db2.gz KGZNJLLXGFKRTM-JMSVASOKSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000342084873 546117713 /nfs/dbraw/zinc/11/77/13/546117713.db2.gz KGZNJLLXGFKRTM-JMSVASOKSA-N 1 3 322.453 0.184 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342083966 546117757 /nfs/dbraw/zinc/11/77/57/546117757.db2.gz IOCXKHLWZHSLJR-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342083966 546117760 /nfs/dbraw/zinc/11/77/60/546117760.db2.gz IOCXKHLWZHSLJR-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CC(=O)N(C)C)NCc1ccncc1OCC[NH+](C)C ZINC000343969133 546137094 /nfs/dbraw/zinc/13/70/94/546137094.db2.gz BQDDFNMBXXDEOV-ZDUSSCGKSA-N 1 3 308.426 0.978 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353446538 546173899 /nfs/dbraw/zinc/17/38/99/546173899.db2.gz KFJWRKMZUFGSBO-HYVNUMGLSA-N 1 3 322.497 0.764 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1CCN(CCO)CC1 ZINC000358699094 546193338 /nfs/dbraw/zinc/19/33/38/546193338.db2.gz FALBIXQLZHOBRW-CQSZACIVSA-N 1 3 314.474 0.719 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1CCN(CCO)CC1 ZINC000358699094 546193342 /nfs/dbraw/zinc/19/33/42/546193342.db2.gz FALBIXQLZHOBRW-CQSZACIVSA-N 1 3 314.474 0.719 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638064748 546334737 /nfs/dbraw/zinc/33/47/37/546334737.db2.gz WEKDXOKLZIBZBK-UHFFFAOYSA-N 1 3 320.437 0.148 20 0 DCADHO Nc1nccc([C@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662277069 546373874 /nfs/dbraw/zinc/37/38/74/546373874.db2.gz NLHIWLBVBXGRET-QWHCGFSZSA-N 1 3 303.410 0.759 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)[nH]1 ZINC000662775496 546377017 /nfs/dbraw/zinc/37/70/17/546377017.db2.gz ROCZANXCYIFPQU-RYUDHWBXSA-N 1 3 316.365 0.233 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCOC1 ZINC000665759355 546395326 /nfs/dbraw/zinc/39/53/26/546395326.db2.gz DGXHFHFGYFHFAZ-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCOC1 ZINC000665759355 546395330 /nfs/dbraw/zinc/39/53/30/546395330.db2.gz DGXHFHFGYFHFAZ-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666976783 546538848 /nfs/dbraw/zinc/53/88/48/546538848.db2.gz PDPCLGPNMACWOK-ZBFHGGJFSA-N 1 3 324.469 0.833 20 0 DCADHO CN(Cc1ccc(OCCN2CCCC2)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000667001942 546542964 /nfs/dbraw/zinc/54/29/64/546542964.db2.gz CFVUQQMTPVVAIA-ROUUACIJSA-N 1 3 319.449 0.926 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cn[nH]c(=O)c1 ZINC000667812785 546656161 /nfs/dbraw/zinc/65/61/61/546656161.db2.gz WXZLEUZWZMESRF-CQSZACIVSA-N 1 3 321.425 0.670 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cn[nH]c(=O)c1 ZINC000667812785 546656167 /nfs/dbraw/zinc/65/61/67/546656167.db2.gz WXZLEUZWZMESRF-CQSZACIVSA-N 1 3 321.425 0.670 20 0 DCADHO CN1CCC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)(N2CCOCC2)CC1 ZINC000668237894 546714391 /nfs/dbraw/zinc/71/43/91/546714391.db2.gz BBWKMBZEJLRVAE-SJORKVTESA-N 1 3 323.481 0.940 20 0 DCADHO CC[C@H]1CN(C(=O)NCCCN(C)CCOC)CC[C@H]1[NH3+] ZINC000669389045 546965219 /nfs/dbraw/zinc/96/52/19/546965219.db2.gz YMMJYCYIGWJZBI-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CCO1 ZINC000669418847 546968995 /nfs/dbraw/zinc/96/89/95/546968995.db2.gz UPOXIMINCMZERO-KFWWJZLASA-N 1 3 312.458 0.864 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CCC[NH2+]CC2)CCSC1 ZINC000669514887 546982594 /nfs/dbraw/zinc/98/25/94/546982594.db2.gz OXXUOPKBLCHUFW-OCCSQVGLSA-N 1 3 300.472 0.865 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@](C)(C[NH3+])C2)CCSC1 ZINC000669514806 546982774 /nfs/dbraw/zinc/98/27/74/546982774.db2.gz KWWYUNJUUAHPNJ-KGLIPLIRSA-N 1 3 300.472 0.804 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCO1 ZINC000669570881 546992522 /nfs/dbraw/zinc/99/25/22/546992522.db2.gz GOSYJXVPDMSZBC-BZUAXINKSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570482 546993035 /nfs/dbraw/zinc/99/30/35/546993035.db2.gz XYLKUGJPSWWKJA-HOCLYGCPSA-N 1 3 320.437 0.924 20 0 DCADHO CN1CCN(CCNC(=O)NC[C@H]2CCCC[NH2+]2)CC1(C)C ZINC000669580094 546993653 /nfs/dbraw/zinc/99/36/53/546993653.db2.gz HPDIHLYKEWNCJC-CQSZACIVSA-N 1 3 311.474 0.454 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000670630114 547117269 /nfs/dbraw/zinc/11/72/69/547117269.db2.gz UYWIGADIGRVUJN-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@@]3(C2)CCCOC3)C1=O ZINC000671191840 547175780 /nfs/dbraw/zinc/17/57/80/547175780.db2.gz JEHWMOSRWHJXOO-WMLDXEAASA-N 1 3 323.437 0.568 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000672010781 547312044 /nfs/dbraw/zinc/31/20/44/547312044.db2.gz FEQNLCGRKHRJMO-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672015025 547313671 /nfs/dbraw/zinc/31/36/71/547313671.db2.gz QKLXTGTWSBMNRE-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@@H+]1C ZINC000672306581 547347072 /nfs/dbraw/zinc/34/70/72/547347072.db2.gz OXLKHUVEXXBAIU-YUELXQCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@H+]1C ZINC000672306581 547347075 /nfs/dbraw/zinc/34/70/75/547347075.db2.gz OXLKHUVEXXBAIU-YUELXQCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672308634 547348022 /nfs/dbraw/zinc/34/80/22/547348022.db2.gz VXJFBNDJFZTQQL-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000672594067 547384061 /nfs/dbraw/zinc/38/40/61/547384061.db2.gz LICNJTUTTDQIPT-QLFBSQMISA-N 1 3 324.469 0.574 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673522187 547496414 /nfs/dbraw/zinc/49/64/14/547496414.db2.gz DSDZHKMHIYKGLE-SJORKVTESA-N 1 3 319.449 0.937 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673522187 547496418 /nfs/dbraw/zinc/49/64/18/547496418.db2.gz DSDZHKMHIYKGLE-SJORKVTESA-N 1 3 319.449 0.937 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000674699674 547617976 /nfs/dbraw/zinc/61/79/76/547617976.db2.gz RGKOEKLTEMRQGU-HZSPNIEDSA-N 1 3 310.442 0.632 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000674699674 547617978 /nfs/dbraw/zinc/61/79/78/547617978.db2.gz RGKOEKLTEMRQGU-HZSPNIEDSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@H]1C[N@H+](CCn2ccccc2=O)CC[C@H]1N1CCN(C)CC1 ZINC000677904942 547918630 /nfs/dbraw/zinc/91/86/30/547918630.db2.gz AYNZPOWCOMCLKN-DLBZAZTESA-N 1 3 318.465 0.806 20 0 DCADHO C[C@H]1C[N@@H+](CCn2ccccc2=O)CC[C@H]1N1CCN(C)CC1 ZINC000677904942 547918633 /nfs/dbraw/zinc/91/86/33/547918633.db2.gz AYNZPOWCOMCLKN-DLBZAZTESA-N 1 3 318.465 0.806 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000681113917 548204819 /nfs/dbraw/zinc/20/48/19/548204819.db2.gz DWOOMRAZCMTTDN-CYBMUJFWSA-N 1 3 300.447 0.330 20 0 DCADHO CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001672023889 1175064532 /nfs/dbraw/zinc/06/45/32/1175064532.db2.gz AIUIZILYTRZHDB-GDBMZVCRSA-N 1 3 315.458 0.162 20 0 DCADHO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001672023889 1175064534 /nfs/dbraw/zinc/06/45/34/1175064534.db2.gz AIUIZILYTRZHDB-GDBMZVCRSA-N 1 3 315.458 0.162 20 0 DCADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000892090614 658177264 /nfs/dbraw/zinc/17/72/64/658177264.db2.gz WTVSUAPLBVOQLX-LSDHHAIUSA-N 1 3 323.485 0.678 20 0 DCADHO CC(C)(C)NS(=O)(=O)C1(CN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000925764564 660818948 /nfs/dbraw/zinc/81/89/48/660818948.db2.gz HCOROSRHSLPFGX-NEPJUHHUSA-N 1 3 303.472 0.954 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000980477143 660947709 /nfs/dbraw/zinc/94/77/09/660947709.db2.gz BJAANHCVNLQZNN-OAHLLOKOSA-N 1 3 305.422 0.887 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000980477143 660947711 /nfs/dbraw/zinc/94/77/11/660947711.db2.gz BJAANHCVNLQZNN-OAHLLOKOSA-N 1 3 305.422 0.887 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)N1CCCC1 ZINC000981272595 661122739 /nfs/dbraw/zinc/12/27/39/661122739.db2.gz RPCLAJNGXQQDEI-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCN(CCCO)CC2)C1 ZINC000981324859 661134570 /nfs/dbraw/zinc/13/45/70/661134570.db2.gz UMYNNKIETLMJFV-INIZCTEOSA-N 1 3 311.470 0.881 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCN(CCCO)CC2)C1 ZINC000981324859 661134572 /nfs/dbraw/zinc/13/45/72/661134572.db2.gz UMYNNKIETLMJFV-INIZCTEOSA-N 1 3 311.470 0.881 20 0 DCADHO O=C(N1CCCN(CCCO)CC1)C12CCC[NH+](CCC1)C2 ZINC000981423725 661150800 /nfs/dbraw/zinc/15/08/00/661150800.db2.gz RQSKTODQFPUHBV-UHFFFAOYSA-N 1 3 309.454 0.779 20 0 DCADHO CO[C@]1(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCS(=O)(=O)C1 ZINC000925825187 661243071 /nfs/dbraw/zinc/24/30/71/661243071.db2.gz BYJSIWYKDFPWGQ-SCRDCRAPSA-N 1 3 304.456 0.686 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000921668862 665477277 /nfs/dbraw/zinc/47/72/77/665477277.db2.gz YFSDGAJPXHBIMJ-HIFRSBDPSA-N 1 3 311.474 0.404 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041672740 657474481 /nfs/dbraw/zinc/47/44/81/657474481.db2.gz RFKIGUAUQABISG-KRWDZBQOSA-N 1 3 309.454 0.635 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041672740 657474483 /nfs/dbraw/zinc/47/44/83/657474483.db2.gz RFKIGUAUQABISG-KRWDZBQOSA-N 1 3 309.454 0.635 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000891575932 657492495 /nfs/dbraw/zinc/49/24/95/657492495.db2.gz JGPJGQUMKWSOOQ-NWDGAFQWSA-N 1 3 320.384 0.251 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891580069 657498923 /nfs/dbraw/zinc/49/89/23/657498923.db2.gz UAENXEQGYHRKCO-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000892335518 657499017 /nfs/dbraw/zinc/49/90/17/657499017.db2.gz SFFHBNZZVSRXKG-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000892335518 657499022 /nfs/dbraw/zinc/49/90/22/657499022.db2.gz SFFHBNZZVSRXKG-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000970716455 657823845 /nfs/dbraw/zinc/82/38/45/657823845.db2.gz FQGUEAPCMPPLOH-MRXNPFEDSA-N 1 3 319.453 0.786 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000994916723 665521659 /nfs/dbraw/zinc/52/16/59/665521659.db2.gz UDKJYRIGLNKAMN-OAHLLOKOSA-N 1 3 324.469 0.241 20 0 DCADHO CN1CCN(CCNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1(C)C ZINC000891880985 657868864 /nfs/dbraw/zinc/86/88/64/657868864.db2.gz RHHPGFUQGKZMTA-CABCVRRESA-N 1 3 323.485 0.548 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000970800485 657917540 /nfs/dbraw/zinc/91/75/40/657917540.db2.gz PXFUXQQTKJTERD-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000970800485 657917545 /nfs/dbraw/zinc/91/75/45/657917545.db2.gz PXFUXQQTKJTERD-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CCc2cnn(C)c2)C1 ZINC000970876729 658009136 /nfs/dbraw/zinc/00/91/36/658009136.db2.gz VOLZDADVHPXXEE-UKRRQHHQSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCc2cnn(C)c2)C1 ZINC000970876729 658009144 /nfs/dbraw/zinc/00/91/44/658009144.db2.gz VOLZDADVHPXXEE-UKRRQHHQSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020587622 658157802 /nfs/dbraw/zinc/15/78/02/658157802.db2.gz NTUOBPSSCGYTKU-JXFSHQFZSA-N 1 3 315.433 0.817 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[C@@H]1C[NH3+] ZINC000926344994 658167773 /nfs/dbraw/zinc/16/77/73/658167773.db2.gz BCXIMZVWGZYNFJ-TUVASFSCSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892094479 658181443 /nfs/dbraw/zinc/18/14/43/658181443.db2.gz TYPCNCKORDVAGG-WQVCFCJDSA-N 1 3 302.422 0.998 20 0 DCADHO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)C(F)F ZINC000892149704 658227327 /nfs/dbraw/zinc/22/73/27/658227327.db2.gz DFAOUXVYOQKQRN-QWHCGFSZSA-N 1 3 312.364 0.983 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892155398 658232512 /nfs/dbraw/zinc/23/25/12/658232512.db2.gz FCDBHYGBZHSVEQ-ZIAGYGMSSA-N 1 3 324.375 0.997 20 0 DCADHO CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000969967554 658307347 /nfs/dbraw/zinc/30/73/47/658307347.db2.gz FOJWBBTUUNWAFG-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC000969985144 658324333 /nfs/dbraw/zinc/32/43/33/658324333.db2.gz CHFSUHMGYKUZNU-MCIONIFRSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC000969985146 658324680 /nfs/dbraw/zinc/32/46/80/658324680.db2.gz CHFSUHMGYKUZNU-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001022716760 658373914 /nfs/dbraw/zinc/37/39/14/658373914.db2.gz HQYFMJVOPSUNIU-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC001022718212 658378975 /nfs/dbraw/zinc/37/89/75/658378975.db2.gz AIXXZYZNSHQHCL-KSYCFECVSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001022718212 658378985 /nfs/dbraw/zinc/37/89/85/658378985.db2.gz AIXXZYZNSHQHCL-KSYCFECVSA-N 1 3 317.437 0.720 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892431870 658467984 /nfs/dbraw/zinc/46/79/84/658467984.db2.gz YNTNMTTUSMGECP-KFWWJZLASA-N 1 3 312.458 0.567 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001024180451 658511074 /nfs/dbraw/zinc/51/10/74/658511074.db2.gz XXAOZGFZHKCYOE-ZIAGYGMSSA-N 1 3 306.410 0.817 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CNCc3cnns3)C2)C1 ZINC001024265058 658549309 /nfs/dbraw/zinc/54/93/09/658549309.db2.gz ZDVRISVAACMIHX-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](CNCc3cnns3)C2)C1 ZINC001024265058 658549315 /nfs/dbraw/zinc/54/93/15/658549315.db2.gz ZDVRISVAACMIHX-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNCc3cnns3)C2)C1 ZINC001024265060 658549361 /nfs/dbraw/zinc/54/93/61/658549361.db2.gz ZDVRISVAACMIHX-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](CNCc3cnns3)C2)C1 ZINC001024265060 658549371 /nfs/dbraw/zinc/54/93/71/658549371.db2.gz ZDVRISVAACMIHX-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CC2CC2)C1 ZINC000970192197 658721323 /nfs/dbraw/zinc/72/13/23/658721323.db2.gz YJBBSQDCUMLQEJ-DRMSGTBHSA-N 1 3 319.449 0.696 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC(N)=O)C2)CC1)N(C)C ZINC001039159793 658803214 /nfs/dbraw/zinc/80/32/14/658803214.db2.gz YFWWODNUMLORQA-GJZGRUSLSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC(N)=O)C2)CC1)N(C)C ZINC001039159793 658803228 /nfs/dbraw/zinc/80/32/28/658803228.db2.gz YFWWODNUMLORQA-GJZGRUSLSA-N 1 3 324.469 0.372 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)ncn1 ZINC001022981394 658890561 /nfs/dbraw/zinc/89/05/61/658890561.db2.gz NDDAXXCTQMECMH-OKILXGFUSA-N 1 3 315.421 0.618 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC001027173416 659060981 /nfs/dbraw/zinc/06/09/81/659060981.db2.gz PTCYWGMDNBNJOA-ZDUSSCGKSA-N 1 3 318.425 0.147 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027215905 659087566 /nfs/dbraw/zinc/08/75/66/659087566.db2.gz OIIOIVOOSWWEGT-UONOGXRCSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027215905 659087570 /nfs/dbraw/zinc/08/75/70/659087570.db2.gz OIIOIVOOSWWEGT-UONOGXRCSA-N 1 3 305.426 0.310 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999467558 665648844 /nfs/dbraw/zinc/64/88/44/665648844.db2.gz BEFKERKZFUFJRI-OPFPJEHXSA-N 1 3 306.410 0.958 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC000999491436 665652862 /nfs/dbraw/zinc/65/28/62/665652862.db2.gz UVFQDZONUIDFCC-HZPDHXFCSA-N 1 3 321.469 0.883 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@H]3C2)C1 ZINC001026361172 659240100 /nfs/dbraw/zinc/24/01/00/659240100.db2.gz PCYJOYOCDJZKBI-KKUMJFAQSA-N 1 3 309.454 0.537 20 0 DCADHO CS(=O)(=O)CCN1CCC(N[C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925566734 659258332 /nfs/dbraw/zinc/25/83/32/659258332.db2.gz LISAJPWVZMNCNE-KBPBESRZSA-N 1 3 315.483 0.355 20 0 DCADHO CCCC[NH+]1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031856862 665660025 /nfs/dbraw/zinc/66/00/25/665660025.db2.gz KNUYSHFVXNNNMD-GULBITTBSA-N 1 3 307.438 0.698 20 0 DCADHO O=C(NCC1C[NH+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031856908 665660363 /nfs/dbraw/zinc/66/03/63/665660363.db2.gz LUKZBEGXKZLRFY-BFHRDPOASA-N 1 3 319.449 0.698 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1C ZINC000892757151 659433500 /nfs/dbraw/zinc/43/35/00/659433500.db2.gz UAUBYXAGAVFHSV-IHRRRGAJSA-N 1 3 310.442 0.537 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)[N@H+](C)C1CC1 ZINC000892822104 659472242 /nfs/dbraw/zinc/47/22/42/659472242.db2.gz WDDAWVPQVMMOMT-BMFZPTHFSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)[N@@H+](C)C1CC1 ZINC000892822104 659472243 /nfs/dbraw/zinc/47/22/43/659472243.db2.gz WDDAWVPQVMMOMT-BMFZPTHFSA-N 1 3 324.469 0.710 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001026726944 659481170 /nfs/dbraw/zinc/48/11/70/659481170.db2.gz IDOFNTVFFFMHQC-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1)C1CCC1 ZINC001026890323 659625064 /nfs/dbraw/zinc/62/50/64/659625064.db2.gz IQZDIZVPIXOKPX-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001026963978 659679714 /nfs/dbraw/zinc/67/97/14/659679714.db2.gz AKOILPHWEIZRHR-UJEKJILKSA-N 1 3 307.438 0.696 20 0 DCADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999828752 665694832 /nfs/dbraw/zinc/69/48/32/665694832.db2.gz FQFRKQBPXRYNNS-NFOMZHRRSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999828752 665694833 /nfs/dbraw/zinc/69/48/33/665694833.db2.gz FQFRKQBPXRYNNS-NFOMZHRRSA-N 1 3 317.437 0.816 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCCO)CC2(C)C)CC[N@@H+]1C ZINC000974959301 659750253 /nfs/dbraw/zinc/75/02/53/659750253.db2.gz VZIDEFRBRKVGKV-SOUVJXGZSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCCO)CC2(C)C)CC[N@H+]1C ZINC000974959301 659750256 /nfs/dbraw/zinc/75/02/56/659750256.db2.gz VZIDEFRBRKVGKV-SOUVJXGZSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cncn3C)C2)C1 ZINC001027064789 659762247 /nfs/dbraw/zinc/76/22/47/659762247.db2.gz KNCGEMANJBOZQK-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001026089142 659775256 /nfs/dbraw/zinc/77/52/56/659775256.db2.gz ISPICHXNBBAMKP-ARKGTOAJSA-N 1 3 309.454 0.677 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001026089142 659775261 /nfs/dbraw/zinc/77/52/61/659775261.db2.gz ISPICHXNBBAMKP-ARKGTOAJSA-N 1 3 309.454 0.677 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC000999875547 665705845 /nfs/dbraw/zinc/70/58/45/665705845.db2.gz GJDXKPSURCHMDE-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000079729 665736307 /nfs/dbraw/zinc/73/63/07/665736307.db2.gz AVOHAMDQIJLIRT-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001000227607 665788848 /nfs/dbraw/zinc/78/88/48/665788848.db2.gz OVGYNELPANFQSC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656148 661730920 /nfs/dbraw/zinc/73/09/20/661730920.db2.gz FDBLTKGHZJFWFG-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]([NH3+])CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000261836774 661738884 /nfs/dbraw/zinc/73/88/84/661738884.db2.gz NLBWLSSDOJIRSP-CQSZACIVSA-N 1 3 304.438 0.788 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698414 661765731 /nfs/dbraw/zinc/76/57/31/661765731.db2.gz JFRFHXVVPFXBMU-HCEZTOJASA-N 1 3 307.438 0.698 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698414 661765732 /nfs/dbraw/zinc/76/57/32/661765732.db2.gz JFRFHXVVPFXBMU-HCEZTOJASA-N 1 3 307.438 0.698 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779080 661821739 /nfs/dbraw/zinc/82/17/39/661821739.db2.gz UHTZLLBNGQBDNI-TZMCWYRMSA-N 1 3 310.442 0.030 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001028983382 661916580 /nfs/dbraw/zinc/91/65/80/661916580.db2.gz BWMWKCKQOWWZOX-UKRRQHHQSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001028983382 661916582 /nfs/dbraw/zinc/91/65/82/661916582.db2.gz BWMWKCKQOWWZOX-UKRRQHHQSA-N 1 3 305.426 0.310 20 0 DCADHO CC1=NO[C@H](CNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000895308210 662165143 /nfs/dbraw/zinc/16/51/43/662165143.db2.gz ZATACNGCUUZQBF-INIZCTEOSA-N 1 3 310.442 0.537 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC12CC(O)C2 ZINC000895665285 662204567 /nfs/dbraw/zinc/20/45/67/662204567.db2.gz AZTHHWIZESIZFZ-PGOFDVKTSA-N 1 3 312.458 0.471 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC12CC(O)C2 ZINC000895665285 662204568 /nfs/dbraw/zinc/20/45/68/662204568.db2.gz AZTHHWIZESIZFZ-PGOFDVKTSA-N 1 3 312.458 0.471 20 0 DCADHO CN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCCN(C)C1 ZINC000895849924 662222596 /nfs/dbraw/zinc/22/25/96/662222596.db2.gz BQPBBJJYLFBMGD-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000895849924 662222598 /nfs/dbraw/zinc/22/25/98/662222598.db2.gz BQPBBJJYLFBMGD-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895849924 662222601 /nfs/dbraw/zinc/22/26/01/662222601.db2.gz BQPBBJJYLFBMGD-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO O=C(NC[C@@H]1CCN1C[C@@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001038454648 662349935 /nfs/dbraw/zinc/34/99/35/662349935.db2.gz NNAMJMPGPIZFSA-GJZGRUSLSA-N 1 3 307.438 0.842 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1)N(C)C ZINC000985491862 662466595 /nfs/dbraw/zinc/46/65/95/662466595.db2.gz JGPZPJHEIWCKNQ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1)N(C)C ZINC000985491862 662466597 /nfs/dbraw/zinc/46/65/97/662466597.db2.gz JGPZPJHEIWCKNQ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000985494927 662468195 /nfs/dbraw/zinc/46/81/95/662468195.db2.gz HZSYFXIXSURSEO-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000985494927 662468196 /nfs/dbraw/zinc/46/81/96/662468196.db2.gz HZSYFXIXSURSEO-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1 ZINC001000594100 665882539 /nfs/dbraw/zinc/88/25/39/665882539.db2.gz UVTLVOSCLDJYLU-CQSZACIVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987057556 662639283 /nfs/dbraw/zinc/63/92/83/662639283.db2.gz JDXXSTXQDMJZOC-SWLSCSKDSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1[C@H](NCc2ccnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360275 662671955 /nfs/dbraw/zinc/67/19/55/662671955.db2.gz UHBGWWSVZFNUQE-DZGCQCFKSA-N 1 3 317.437 0.595 20 0 DCADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729505075 662892304 /nfs/dbraw/zinc/89/23/04/662892304.db2.gz MQYLMDBSOXLGRL-HZPDHXFCSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000989492004 662953480 /nfs/dbraw/zinc/95/34/80/662953480.db2.gz LATCASFRIGEZQI-SWLSCSKDSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683336 662971336 /nfs/dbraw/zinc/97/13/36/662971336.db2.gz PKUQEBUSGBLKTC-UKRRQHHQSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccnn2C)CN1C(=O)CN1CCCC1 ZINC000989799022 662980505 /nfs/dbraw/zinc/98/05/05/662980505.db2.gz ITPWOZSPAVHWAZ-HUUCEWRRSA-N 1 3 319.453 0.637 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001000711635 665920170 /nfs/dbraw/zinc/92/01/70/665920170.db2.gz PDTAVECVEFEPSW-CYBMUJFWSA-N 1 3 318.425 0.290 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900408945 663241909 /nfs/dbraw/zinc/24/19/09/663241909.db2.gz BLAJDSQZAJGPSO-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900408945 663241910 /nfs/dbraw/zinc/24/19/10/663241910.db2.gz BLAJDSQZAJGPSO-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215334 665945840 /nfs/dbraw/zinc/94/58/40/665945840.db2.gz QOUZVIWZDPNXEW-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000916143 665959996 /nfs/dbraw/zinc/95/99/96/665959996.db2.gz FUBFQDJQHGKBQL-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000916143 665959998 /nfs/dbraw/zinc/95/99/98/665959998.db2.gz FUBFQDJQHGKBQL-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1ccn2c(CCN[C@H]3CC[NH2+]CC(C)(C)C3)nnc2c1=O ZINC000902403283 663412458 /nfs/dbraw/zinc/41/24/58/663412458.db2.gz RBEQRDZHVHEJIV-LBPRGKRZSA-N 1 3 318.425 0.338 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCC(C)CC1)C2 ZINC000903490730 663458036 /nfs/dbraw/zinc/45/80/36/663458036.db2.gz FVDNVZMRLQUTCP-VBQJREDUSA-N 1 3 323.437 0.457 20 0 DCADHO CN(C[C@H]1CCCC[NH2+]C1)C1CCN(S(C)(=O)=O)CC1 ZINC000903733710 663478050 /nfs/dbraw/zinc/47/80/50/663478050.db2.gz PBMBXZMHKNAJIQ-ZDUSSCGKSA-N 1 3 303.472 0.732 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903737702 663478275 /nfs/dbraw/zinc/47/82/75/663478275.db2.gz VELCSKKXZOLTGV-INIZCTEOSA-N 1 3 308.470 0.616 20 0 DCADHO O=S1(=O)CCCN1CCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000903767565 663481137 /nfs/dbraw/zinc/48/11/37/663481137.db2.gz HMPMLAXAJFJHOZ-HNNXBMFYSA-N 1 3 315.483 0.734 20 0 DCADHO CC(=O)N1CCN(C(=O)CN2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC000903789323 663485137 /nfs/dbraw/zinc/48/51/37/663485137.db2.gz SRBUEZBTUFOYHP-UHFFFAOYSA-N 1 3 324.469 0.374 20 0 DCADHO O=C([C@@H]1CCCO1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903875803 663491524 /nfs/dbraw/zinc/49/15/24/663491524.db2.gz CGLWKTFIINOLST-UYTSQGDYSA-N 1 3 307.438 0.840 20 0 DCADHO Nc1nsc(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903897811 663493565 /nfs/dbraw/zinc/49/35/65/663493565.db2.gz GYRSYVGGCAZOCI-YOGCLGLASA-N 1 3 308.455 0.773 20 0 DCADHO C[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](C)N1CCOCC1 ZINC000903923625 663496231 /nfs/dbraw/zinc/49/62/31/663496231.db2.gz YRUNRGRGQGDXJW-SOUVJXGZSA-N 1 3 322.457 0.401 20 0 DCADHO Nc1cnc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC000903980373 663499213 /nfs/dbraw/zinc/49/92/13/663499213.db2.gz POMNVZUMTILVHY-GASCZTMLSA-N 1 3 302.426 0.459 20 0 DCADHO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904317351 663508277 /nfs/dbraw/zinc/50/82/77/663508277.db2.gz VEGOVDLTYAAPDQ-MELADBBJSA-N 1 3 311.426 0.457 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904326191 663508457 /nfs/dbraw/zinc/50/84/57/663508457.db2.gz FUXIVPMWLYHDDA-DOTOQJQBSA-N 1 3 308.470 0.615 20 0 DCADHO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342459 663509031 /nfs/dbraw/zinc/50/90/31/663509031.db2.gz IDTYEJXWRMSZCU-HZSPNIEDSA-N 1 3 319.471 0.096 20 0 DCADHO CN(C)CCN1C[C@@H](c2nc(CC3CC[NH2+]CC3)no2)CC1=O ZINC000905312492 663545649 /nfs/dbraw/zinc/54/56/49/663545649.db2.gz ADGZGEQELZOVMT-ZDUSSCGKSA-N 1 3 321.425 0.489 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040395797 663555019 /nfs/dbraw/zinc/55/50/19/663555019.db2.gz QRZTWDFGKZEXKV-RDJZCZTQSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040395797 663555020 /nfs/dbraw/zinc/55/50/20/663555020.db2.gz QRZTWDFGKZEXKV-RDJZCZTQSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000992032 665976768 /nfs/dbraw/zinc/97/67/68/665976768.db2.gz LPJYKTKYMGWUJX-CQSZACIVSA-N 1 3 318.421 0.428 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908527070 663759356 /nfs/dbraw/zinc/75/93/56/663759356.db2.gz PLVFDEOCEOYBMK-PMPSAXMXSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908527070 663759357 /nfs/dbraw/zinc/75/93/57/663759357.db2.gz PLVFDEOCEOYBMK-PMPSAXMXSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N(C)Cc1ccccc1 ZINC000911008755 663970963 /nfs/dbraw/zinc/97/09/63/663970963.db2.gz PSRLWQPPQRWEBD-CYBMUJFWSA-N 1 3 318.421 0.231 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911030422 663973751 /nfs/dbraw/zinc/97/37/51/663973751.db2.gz VYQZYHCOOJIVME-KBUPBQIOSA-N 1 3 324.469 0.276 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)C1=CCN(C)CC1 ZINC000911219475 664007437 /nfs/dbraw/zinc/00/74/37/664007437.db2.gz NWONSSARCWSHFR-KCQAQPDRSA-N 1 3 322.453 0.196 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911293178 664020101 /nfs/dbraw/zinc/02/01/01/664020101.db2.gz SUYDDEZQBDNOPP-ZDUSSCGKSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911332753 664029787 /nfs/dbraw/zinc/02/97/87/664029787.db2.gz OOGUKJVUKZOKMX-KGLIPLIRSA-N 1 3 324.469 0.419 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000911337080 664037765 /nfs/dbraw/zinc/03/77/65/664037765.db2.gz PSKYKVTXOSEGIZ-GRDNDAEWSA-N 1 3 322.453 0.317 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000911337081 664037798 /nfs/dbraw/zinc/03/77/98/664037798.db2.gz PSKYKVTXOSEGIZ-JKIFEVAISA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911401116 664048380 /nfs/dbraw/zinc/04/83/80/664048380.db2.gz OPNLDEHHXXQZBZ-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911528509 664068315 /nfs/dbraw/zinc/06/83/15/664068315.db2.gz PFWCBBUZDGOYAP-NEPJUHHUSA-N 1 3 310.442 0.090 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000911532438 664069850 /nfs/dbraw/zinc/06/98/50/664069850.db2.gz LKOBREKBYQPFDW-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C[C@H]1C[NH3+] ZINC000911533730 664070753 /nfs/dbraw/zinc/07/07/53/664070753.db2.gz QMQHIKLNIRLQAN-UONOGXRCSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)N1CCCCC1 ZINC000911547793 664076306 /nfs/dbraw/zinc/07/63/06/664076306.db2.gz ZLAFKMVXUSNORK-CQSZACIVSA-N 1 3 324.469 0.829 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000992090175 664660210 /nfs/dbraw/zinc/66/02/10/664660210.db2.gz KHJVZRAWZZDERL-GZBFAFLISA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000992090175 664660211 /nfs/dbraw/zinc/66/02/11/664660211.db2.gz KHJVZRAWZZDERL-GZBFAFLISA-N 1 3 322.453 0.138 20 0 DCADHO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000913676496 664711618 /nfs/dbraw/zinc/71/16/18/664711618.db2.gz ZFNVGHYHPLNCSX-OAHLLOKOSA-N 1 3 309.454 0.918 20 0 DCADHO CCO[C@H](CNC(=O)N[C@H]1CCCN(CC)C1)C[NH+](C)C ZINC000914316325 664771250 /nfs/dbraw/zinc/77/12/50/664771250.db2.gz QAAHQOVWHFEZCG-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cncn1C ZINC001266718524 1157537275 /nfs/dbraw/zinc/53/72/75/1157537275.db2.gz SOPVSRJPTMOGOX-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cncn1C ZINC001266718524 1157537280 /nfs/dbraw/zinc/53/72/80/1157537280.db2.gz SOPVSRJPTMOGOX-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNCc2c3c(nn2C)CCOC3)CC1 ZINC000921843456 666087402 /nfs/dbraw/zinc/08/74/02/666087402.db2.gz XZKRIMKNINJXQJ-UHFFFAOYSA-N 1 3 322.453 0.818 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)C1 ZINC001002121991 666134319 /nfs/dbraw/zinc/13/43/19/666134319.db2.gz XBILLPRIVTWWQW-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)C1 ZINC001002121991 666134321 /nfs/dbraw/zinc/13/43/21/666134321.db2.gz XBILLPRIVTWWQW-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C[C@H]3CO)CC2)CC1 ZINC000922278646 666366605 /nfs/dbraw/zinc/36/66/05/666366605.db2.gz CSCGAIQPKBQASN-KRWDZBQOSA-N 1 3 321.465 0.942 20 0 DCADHO Cn1nccc1CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004150787 666460896 /nfs/dbraw/zinc/46/08/96/666460896.db2.gz TWTKLYAGPRARGZ-AWEZNQCLSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004150787 666460899 /nfs/dbraw/zinc/46/08/99/666460899.db2.gz TWTKLYAGPRARGZ-AWEZNQCLSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623366 666557334 /nfs/dbraw/zinc/55/73/34/666557334.db2.gz JKJXJPVMJVBKOY-LLLHUVSDSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623366 666557335 /nfs/dbraw/zinc/55/73/35/666557335.db2.gz JKJXJPVMJVBKOY-LLLHUVSDSA-N 1 3 323.481 0.878 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)N(C)C ZINC000946784754 666656219 /nfs/dbraw/zinc/65/62/19/666656219.db2.gz SEHSNQPZSFJGGI-XHSDSOJGSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)N(C)C ZINC000946784754 666656220 /nfs/dbraw/zinc/65/62/20/666656220.db2.gz SEHSNQPZSFJGGI-XHSDSOJGSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H]([NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C)C(N)=O ZINC000995884715 666718922 /nfs/dbraw/zinc/71/89/22/666718922.db2.gz HIOHWMKEZNPZDW-STQMWFEESA-N 1 3 324.469 0.561 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033595849 666767710 /nfs/dbraw/zinc/76/77/10/666767710.db2.gz VPVQIHGIJGGKOJ-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033595849 666767711 /nfs/dbraw/zinc/76/77/11/666767711.db2.gz VPVQIHGIJGGKOJ-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C)C1(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000996440186 666785995 /nfs/dbraw/zinc/78/59/95/666785995.db2.gz HFHWYBBVHRRHGS-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000996440186 666785998 /nfs/dbraw/zinc/78/59/98/666785998.db2.gz HFHWYBBVHRRHGS-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861571618 666946070 /nfs/dbraw/zinc/94/60/70/666946070.db2.gz FYCDBEANTAOZLI-MGPQQGTHSA-N 1 3 308.426 0.433 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000861644017 666953261 /nfs/dbraw/zinc/95/32/61/666953261.db2.gz SYIAOAHWFPKERW-GOEBONIOSA-N 1 3 318.421 0.239 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000861732921 666968510 /nfs/dbraw/zinc/96/85/10/666968510.db2.gz NCSNMIXBUVLDAM-ZFWWWQNUSA-N 1 3 320.437 0.081 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC000996980185 667051232 /nfs/dbraw/zinc/05/12/32/667051232.db2.gz WOLAZMCIDIEZQN-MRXNPFEDSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCn3cncn3)C2)C1 ZINC001034526554 667055897 /nfs/dbraw/zinc/05/58/97/667055897.db2.gz ZGQOIRRHPJWYLD-HUUCEWRRSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCn3cncn3)C2)C1 ZINC001034526554 667055900 /nfs/dbraw/zinc/05/59/00/667055900.db2.gz ZGQOIRRHPJWYLD-HUUCEWRRSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034526342 667056035 /nfs/dbraw/zinc/05/60/35/667056035.db2.gz XHDDIFZJVPONHX-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034526342 667056038 /nfs/dbraw/zinc/05/60/38/667056038.db2.gz XHDDIFZJVPONHX-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034526340 667056064 /nfs/dbraw/zinc/05/60/64/667056064.db2.gz XHDDIFZJVPONHX-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034526340 667056067 /nfs/dbraw/zinc/05/60/67/667056067.db2.gz XHDDIFZJVPONHX-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)C1 ZINC000997006384 667069217 /nfs/dbraw/zinc/06/92/17/667069217.db2.gz LOVYPQMDTGLTAO-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)N1CCCCC1 ZINC001034644460 667089569 /nfs/dbraw/zinc/08/95/69/667089569.db2.gz LASXFYOZHKLPKO-HDJSIYSDSA-N 1 3 324.469 0.753 20 0 DCADHO O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001034654034 667091568 /nfs/dbraw/zinc/09/15/68/667091568.db2.gz WMCOKHWFTMHIGG-AJNGGQMLSA-N 1 3 313.417 0.836 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034658799 667093900 /nfs/dbraw/zinc/09/39/00/667093900.db2.gz GXRPPFKSCWCDOI-AJNGGQMLSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034734929 667128395 /nfs/dbraw/zinc/12/83/95/667128395.db2.gz CICIZYNFVUFSJU-TUVASFSCSA-N 1 3 322.453 0.376 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1)C(N)=O ZINC000997116035 667144302 /nfs/dbraw/zinc/14/43/02/667144302.db2.gz RSWIOPDHPGFUCV-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cn1 ZINC001034881868 667168010 /nfs/dbraw/zinc/16/80/10/667168010.db2.gz OBDGEHPIJFJWJM-HUUCEWRRSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254502 667282467 /nfs/dbraw/zinc/28/24/67/667282467.db2.gz JRQKUEZIVJMLPA-AWEZNQCLSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254502 667282469 /nfs/dbraw/zinc/28/24/69/667282469.db2.gz JRQKUEZIVJMLPA-AWEZNQCLSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000864827699 667287079 /nfs/dbraw/zinc/28/70/79/667287079.db2.gz KTZBXLSULUBBFR-NEPJUHHUSA-N 1 3 316.446 0.508 20 0 DCADHO Cn1cncc1CCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712800 667389554 /nfs/dbraw/zinc/38/95/54/667389554.db2.gz XQXXMOCGBJPRSV-KFWWJZLASA-N 1 3 319.409 0.220 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035709187 667402794 /nfs/dbraw/zinc/40/27/94/667402794.db2.gz RQRWOHDLLWURSS-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035709187 667402795 /nfs/dbraw/zinc/40/27/95/667402795.db2.gz RQRWOHDLLWURSS-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035798314 667410776 /nfs/dbraw/zinc/41/07/76/667410776.db2.gz LZPXBYGGGHGKCJ-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)CC[C@H]1[NH2+]Cc1nccn1C ZINC001036294729 667434652 /nfs/dbraw/zinc/43/46/52/667434652.db2.gz SUZSYFFQERJOCN-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867607352 667475470 /nfs/dbraw/zinc/47/54/70/667475470.db2.gz NHQWMGIJQJXVEB-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867607352 667475473 /nfs/dbraw/zinc/47/54/73/667475473.db2.gz NHQWMGIJQJXVEB-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884210871 667500098 /nfs/dbraw/zinc/50/00/98/667500098.db2.gz MFTYLAFWWZBBON-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO OCCN(CCOCC(F)(F)F)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923312359 667502404 /nfs/dbraw/zinc/50/24/04/667502404.db2.gz GWJXHKRQQZMPMW-NSHDSACASA-N 1 3 312.332 0.238 20 0 DCADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC2(N)CCC2)cc1 ZINC000923334210 667510398 /nfs/dbraw/zinc/51/03/98/667510398.db2.gz UZIVWZHXOGAXPA-CQSZACIVSA-N 1 3 307.394 0.856 20 0 DCADHO CC(C)COC[C@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923343463 667512555 /nfs/dbraw/zinc/51/25/55/667512555.db2.gz CMUUGDGFMNRKOZ-HUUCEWRRSA-N 1 3 315.458 0.339 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364181 667516545 /nfs/dbraw/zinc/51/65/45/667516545.db2.gz JAPXUGSHQGLIPU-JJXSEGSLSA-N 1 3 300.443 0.863 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884312061 667521185 /nfs/dbraw/zinc/52/11/85/667521185.db2.gz VCHDIYRYXFNFDW-CQSZACIVSA-N 1 3 311.426 0.505 20 0 DCADHO Cc1ccc(C)c(OC[C@H](O)CN2CCC(O)(C[NH3+])CC2)c1 ZINC000923382798 667521692 /nfs/dbraw/zinc/52/16/92/667521692.db2.gz VANSQHWQQAZCTI-OAHLLOKOSA-N 1 3 308.422 0.829 20 0 DCADHO COCCCNC(=O)[C@H](C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455749 667535380 /nfs/dbraw/zinc/53/53/80/667535380.db2.gz VEDLKGTVAXLXEN-UONOGXRCSA-N 1 3 313.442 0.357 20 0 DCADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@H](CC[NH3+])C1 ZINC000923487341 667543115 /nfs/dbraw/zinc/54/31/15/667543115.db2.gz ZVOCRXBUFYTALA-IUCAKERBSA-N 1 3 310.320 0.434 20 0 DCADHO COc1ccccc1[C@@H](N)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923561943 667564479 /nfs/dbraw/zinc/56/44/79/667564479.db2.gz AZNWDKSJSUETPY-AAEUAGOBSA-N 1 3 313.423 0.366 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884577850 667569880 /nfs/dbraw/zinc/56/98/80/667569880.db2.gz NGCAXEZTTJBQOU-KKUMJFAQSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H](C)CN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000884578105 667570085 /nfs/dbraw/zinc/57/00/85/667570085.db2.gz TUCFEQVHBUXRML-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884617055 667576324 /nfs/dbraw/zinc/57/63/24/667576324.db2.gz GXOMZEHBDIDFFP-KKUMJFAQSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@H]1C[NH3+] ZINC000884664480 667584657 /nfs/dbraw/zinc/58/46/57/667584657.db2.gz NFUCPKZWMFVEKI-MCIONIFRSA-N 1 3 324.469 0.276 20 0 DCADHO CN1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CCC1(C)C ZINC000884773835 667605371 /nfs/dbraw/zinc/60/53/71/667605371.db2.gz SEIAUWHQCSONCO-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000884776397 667605847 /nfs/dbraw/zinc/60/58/47/667605847.db2.gz RHZBWEZERKAABX-RFGFWPKPSA-N 1 3 308.426 0.068 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884786591 667607307 /nfs/dbraw/zinc/60/73/07/667607307.db2.gz RVTZISMPAJPSEO-MELADBBJSA-N 1 3 310.442 0.171 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884909006 667622209 /nfs/dbraw/zinc/62/22/09/667622209.db2.gz LJESLKCXUSBEHB-SHTZXODSSA-N 1 3 324.469 0.564 20 0 DCADHO O=S(=O)(NC1CC[NH+](C2CCCC2)CC1)N1CCNCC1 ZINC000923624287 667770781 /nfs/dbraw/zinc/77/07/81/667770781.db2.gz QAONBJLRSBTVHD-UHFFFAOYSA-N 1 3 316.471 0.133 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809687 667851681 /nfs/dbraw/zinc/85/16/81/667851681.db2.gz FAZOHKQOLWXQPE-ZDUSSCGKSA-N 1 3 319.471 0.016 20 0 DCADHO C[C@@H]1CC[C@H](CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)O1 ZINC000872145768 667868125 /nfs/dbraw/zinc/86/81/25/667868125.db2.gz XVUXFYOPCLWUPR-NGFQHRJXSA-N 1 3 309.410 0.811 20 0 DCADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873248618 668068918 /nfs/dbraw/zinc/06/89/18/668068918.db2.gz HHHFXTVJDXHAPQ-CABCVRRESA-N 1 3 316.405 0.955 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C12CCC[NH+](CCC1)C2 ZINC000874253572 668162553 /nfs/dbraw/zinc/16/25/53/668162553.db2.gz SBQGICMJWKBKBQ-HUUCEWRRSA-N 1 3 307.438 0.842 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000874451093 668189395 /nfs/dbraw/zinc/18/93/95/668189395.db2.gz YSEXARNZLSQXTL-UHFFFAOYSA-N 1 3 319.453 0.902 20 0 DCADHO CC[N@H+](CCN1C(=O)N[C@H](CN2CCCCC2)C1=O)C1CC1 ZINC000924573954 668218687 /nfs/dbraw/zinc/21/86/87/668218687.db2.gz LPLJJAFVVWCZDS-CQSZACIVSA-N 1 3 308.426 0.877 20 0 DCADHO CC[N@@H+](CCN1C(=O)N[C@H](CN2CCCCC2)C1=O)C1CC1 ZINC000924573954 668218690 /nfs/dbraw/zinc/21/86/90/668218690.db2.gz LPLJJAFVVWCZDS-CQSZACIVSA-N 1 3 308.426 0.877 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000925079853 668272044 /nfs/dbraw/zinc/27/20/44/668272044.db2.gz INCXSSRZFVDOLV-KTGAGVNESA-N 1 3 322.497 0.323 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[N@@H+]1C ZINC000925334450 668299086 /nfs/dbraw/zinc/29/90/86/668299086.db2.gz KIHXTOLKHDQTCT-IIAWOOMASA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[N@H+]1C ZINC000925334450 668299090 /nfs/dbraw/zinc/29/90/90/668299090.db2.gz KIHXTOLKHDQTCT-IIAWOOMASA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCN1C ZINC000925342506 668300120 /nfs/dbraw/zinc/30/01/20/668300120.db2.gz MUTFOIYSHABXPJ-SNPRPXQTSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCN1C ZINC000925342506 668300128 /nfs/dbraw/zinc/30/01/28/668300128.db2.gz MUTFOIYSHABXPJ-SNPRPXQTSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1CN(C(=O)Nc2ccnn2CCN(C)C)CC[C@H]1C[NH3+] ZINC000926129328 668375544 /nfs/dbraw/zinc/37/55/44/668375544.db2.gz BZCWSOLTNVEGIW-OLZOCXBDSA-N 1 3 308.430 0.893 20 0 DCADHO C[C@@H]1CN(CC[C@H]2CCOC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764468157 668448299 /nfs/dbraw/zinc/44/82/99/668448299.db2.gz FYORCOYJCRQHKD-PMPSAXMXSA-N 1 3 309.454 0.897 20 0 DCADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000876980145 668547177 /nfs/dbraw/zinc/54/71/77/668547177.db2.gz XYRYGXKCEXQTIB-ZDUSSCGKSA-N 1 3 305.426 0.731 20 0 DCADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876980145 668547178 /nfs/dbraw/zinc/54/71/78/668547178.db2.gz XYRYGXKCEXQTIB-ZDUSSCGKSA-N 1 3 305.426 0.731 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000877133657 668565195 /nfs/dbraw/zinc/56/51/95/668565195.db2.gz GDCHTSNDRGHILQ-UAGQMJEPSA-N 1 3 318.465 0.760 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000877133657 668565196 /nfs/dbraw/zinc/56/51/96/668565196.db2.gz GDCHTSNDRGHILQ-UAGQMJEPSA-N 1 3 318.465 0.760 20 0 DCADHO COCC1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877343598 668605691 /nfs/dbraw/zinc/60/56/91/668605691.db2.gz OBUPNXBJPUOXPQ-INIZCTEOSA-N 1 3 317.433 0.833 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000877451191 668619842 /nfs/dbraw/zinc/61/98/42/668619842.db2.gz LIQHXZLCBVHURY-NILFDRSVSA-N 1 3 303.410 0.795 20 0 DCADHO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923670718 668717036 /nfs/dbraw/zinc/71/70/36/668717036.db2.gz KTHZWGUWOXAJQH-UHFFFAOYSA-N 1 3 301.456 0.628 20 0 DCADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](CO)C1CC1)c1ccccc1 ZINC000771821813 668754363 /nfs/dbraw/zinc/75/43/63/668754363.db2.gz VWMDUMSTRVUJHD-JKSUJKDBSA-N 1 3 305.422 0.766 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)N1CCCCC1 ZINC000774854454 668848822 /nfs/dbraw/zinc/84/88/22/668848822.db2.gz NYQNBTOTKYCKAM-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CO[C@@H]1COCC[C@@H]1N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000883461001 669691688 /nfs/dbraw/zinc/69/16/88/669691688.db2.gz LWZBRDFLDFHXRQ-LUKYLMHMSA-N 1 3 308.422 0.653 20 0 DCADHO CN(CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC000950079959 669929102 /nfs/dbraw/zinc/92/91/02/669929102.db2.gz CFTWUADUWABJLH-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000950079959 669929105 /nfs/dbraw/zinc/92/91/05/669929105.db2.gz CFTWUADUWABJLH-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(CNCCF)CC2)C1 ZINC001755154904 1157963339 /nfs/dbraw/zinc/96/33/39/1157963339.db2.gz NIKULRUOTNZOOX-ZDUSSCGKSA-N 1 3 301.406 0.241 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(O)(CNCCF)CC2)C1 ZINC001755154904 1157963344 /nfs/dbraw/zinc/96/33/44/1157963344.db2.gz NIKULRUOTNZOOX-ZDUSSCGKSA-N 1 3 301.406 0.241 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCCC3)CC[C@H]21 ZINC001036896410 670265814 /nfs/dbraw/zinc/26/58/14/670265814.db2.gz OGYQCDUBTHGDBV-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCCC3)CC[C@H]21 ZINC001036896410 670265816 /nfs/dbraw/zinc/26/58/16/670265816.db2.gz OGYQCDUBTHGDBV-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000847408970 670548880 /nfs/dbraw/zinc/54/88/80/670548880.db2.gz OTMDLYNUYFAPPU-KGLIPLIRSA-N 1 3 321.425 0.038 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)C[NH+](C)C ZINC000849596548 670822547 /nfs/dbraw/zinc/82/25/47/670822547.db2.gz OZLLKWKJYWWVSS-BMFZPTHFSA-N 1 3 321.469 0.769 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000817157408 670903762 /nfs/dbraw/zinc/90/37/62/670903762.db2.gz JMLWWILHSWMLGC-KKUMJFAQSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000817157408 670903765 /nfs/dbraw/zinc/90/37/65/670903765.db2.gz JMLWWILHSWMLGC-KKUMJFAQSA-N 1 3 310.442 0.585 20 0 DCADHO CCOC(=O)CC1(NC[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000852728188 671153587 /nfs/dbraw/zinc/15/35/87/671153587.db2.gz YJJHMJVYLFWDMX-AWEZNQCLSA-N 1 3 314.426 0.535 20 0 DCADHO CC1CCC(N2CCN(C(=O)C3=NO[C@H](C[NH3+])C3)CC2)CC1 ZINC000852869186 671180013 /nfs/dbraw/zinc/18/00/13/671180013.db2.gz YNKSVDGVNSMGLN-RUXDESIVSA-N 1 3 308.426 0.813 20 0 DCADHO CC1=NO[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000824817524 671441113 /nfs/dbraw/zinc/44/11/13/671441113.db2.gz BHQZLWOYXRPDQB-HNNXBMFYSA-N 1 3 308.426 0.826 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000828283439 671549555 /nfs/dbraw/zinc/54/95/55/671549555.db2.gz HMOOTXMHWWQRAN-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)c1cccc(C[NH3+])c1)CN1CCN(C)CC1 ZINC000830669838 671636666 /nfs/dbraw/zinc/63/66/66/671636666.db2.gz CIZNDFOGDOKLAM-AWEZNQCLSA-N 1 3 304.438 0.759 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000841050948 671910517 /nfs/dbraw/zinc/91/05/17/671910517.db2.gz LDRGNHQWTSYWIF-CYBMUJFWSA-N 1 3 318.421 0.945 20 0 DCADHO C[NH+](C)CCCCCCCNC(=O)NC[C@H]1CNCCO1 ZINC000841742390 671952428 /nfs/dbraw/zinc/95/24/28/671952428.db2.gz WZHPHVTYMSGGRY-CQSZACIVSA-N 1 3 300.447 0.786 20 0 DCADHO COCCN(C)CCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841781369 671954679 /nfs/dbraw/zinc/95/46/79/671954679.db2.gz UWZUGVMRAIPDTH-UHFFFAOYSA-N 1 3 308.426 0.565 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841788215 671955559 /nfs/dbraw/zinc/95/55/59/671955559.db2.gz DUNIWWBCZNCQGS-HUUCEWRRSA-N 1 3 308.426 0.459 20 0 DCADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H]1C[NH3+] ZINC000841791272 671956270 /nfs/dbraw/zinc/95/62/70/671956270.db2.gz RGXYIIFWTXZEEY-LXTVHRRPSA-N 1 3 310.442 0.476 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842014494 671974027 /nfs/dbraw/zinc/97/40/27/671974027.db2.gz CJDLNGISYJSBHA-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N1CCCCC1 ZINC000842014219 671974298 /nfs/dbraw/zinc/97/42/98/671974298.db2.gz ACEFMNOZRLPRFB-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000842015841 671974583 /nfs/dbraw/zinc/97/45/83/671974583.db2.gz OPHWLTRLSHKUNB-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842015996 671974894 /nfs/dbraw/zinc/97/48/94/671974894.db2.gz QBNLZRPZNPDISH-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000842175716 671989182 /nfs/dbraw/zinc/98/91/82/671989182.db2.gz VLFIGNBSWDIDHR-PBHICJAKSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843259931 672076211 /nfs/dbraw/zinc/07/62/11/672076211.db2.gz SZQZDJHCWJTWCL-AWEZNQCLSA-N 1 3 312.458 0.470 20 0 DCADHO COCCS(=O)(=O)CCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388953 672090094 /nfs/dbraw/zinc/09/00/94/672090094.db2.gz YZVPUDFKYIUNPW-LSDHHAIUSA-N 1 3 318.483 0.759 20 0 DCADHO CC[NH2+]CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000844192417 672161597 /nfs/dbraw/zinc/16/15/97/672161597.db2.gz QCKUDONIGJLJHX-UHFFFAOYSA-N 1 3 318.465 0.920 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000846366139 672310185 /nfs/dbraw/zinc/31/01/85/672310185.db2.gz YUMGVAHYASMOEQ-QGZVFWFLSA-N 1 3 322.453 0.285 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000892573802 685431057 /nfs/dbraw/zinc/43/10/57/685431057.db2.gz GXLSOXJWGKYATN-HSBZDZAISA-N 1 3 303.472 0.178 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1C)N(C)C ZINC001020368613 693784650 /nfs/dbraw/zinc/78/46/50/693784650.db2.gz SHLTZEFXSWZXFN-LJISPDSOSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H]1C)N(C)C ZINC001020368613 693784653 /nfs/dbraw/zinc/78/46/53/693784653.db2.gz SHLTZEFXSWZXFN-LJISPDSOSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904565 685894892 /nfs/dbraw/zinc/89/48/92/685894892.db2.gz FPXINWQHUSCKJD-HIFRSBDPSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904565 685894894 /nfs/dbraw/zinc/89/48/94/685894894.db2.gz FPXINWQHUSCKJD-HIFRSBDPSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037953824 693974098 /nfs/dbraw/zinc/97/40/98/693974098.db2.gz YTXVPOWINQYDCE-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccnn3C)C2)C1 ZINC000962310145 688879604 /nfs/dbraw/zinc/87/96/04/688879604.db2.gz UEPLHJUYPUHXOZ-WLYUNCDWSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1cccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962554654 688940453 /nfs/dbraw/zinc/94/04/53/688940453.db2.gz NSAFQAXRTGCTDP-LJIGWXMPSA-N 1 3 314.433 0.888 20 0 DCADHO Cc1cccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962554654 688940456 /nfs/dbraw/zinc/94/04/56/688940456.db2.gz NSAFQAXRTGCTDP-LJIGWXMPSA-N 1 3 314.433 0.888 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCO)C1 ZINC000963367838 689042245 /nfs/dbraw/zinc/04/22/45/689042245.db2.gz TZVUHBTZXDLZBY-ZFWWWQNUSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCO)C1 ZINC000963367838 689042246 /nfs/dbraw/zinc/04/22/46/689042246.db2.gz TZVUHBTZXDLZBY-ZFWWWQNUSA-N 1 3 306.410 0.648 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNC/C=C/Cl)C2)C1 ZINC001202058313 1158916583 /nfs/dbraw/zinc/91/65/83/1158916583.db2.gz KEYJSOLVWNKIJL-YFHFXYRASA-N 1 3 315.845 0.898 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNC/C=C/Cl)C2)C1 ZINC001202058313 1158916588 /nfs/dbraw/zinc/91/65/88/1158916588.db2.gz KEYJSOLVWNKIJL-YFHFXYRASA-N 1 3 315.845 0.898 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000968644994 690353285 /nfs/dbraw/zinc/35/32/85/690353285.db2.gz JGGCVGHKNWRAJC-ZBFHGGJFSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000968644994 690353287 /nfs/dbraw/zinc/35/32/87/690353287.db2.gz JGGCVGHKNWRAJC-ZBFHGGJFSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000968724264 690379556 /nfs/dbraw/zinc/37/95/56/690379556.db2.gz DDVUHZVTDNUDTO-BPLDGKMQSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000968724264 690379560 /nfs/dbraw/zinc/37/95/60/690379560.db2.gz DDVUHZVTDNUDTO-BPLDGKMQSA-N 1 3 305.426 0.451 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCc3ccnn3C)C2)CCC1 ZINC000968904079 690420354 /nfs/dbraw/zinc/42/03/54/690420354.db2.gz IQWIOOIRIYBEHU-CQSZACIVSA-N 1 3 319.453 0.637 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CCC1 ZINC000968907074 690421161 /nfs/dbraw/zinc/42/11/61/690421161.db2.gz DSOORNYJQUHSGA-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO O=C(NC[C@@H]1CCCCCN1CCO)C12CCC[NH+]1CCC2 ZINC000968934136 690429046 /nfs/dbraw/zinc/42/90/46/690429046.db2.gz NYFAHSUEBUUBDS-HNNXBMFYSA-N 1 3 309.454 0.968 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC000968989975 690445643 /nfs/dbraw/zinc/44/56/43/690445643.db2.gz OSKCNVMGUCPNPB-CABCVRRESA-N 1 3 307.442 0.660 20 0 DCADHO C[C@@H](O)CN1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007622298 690716670 /nfs/dbraw/zinc/71/66/70/690716670.db2.gz UPXCMFBUDBHMCC-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713249 692412275 /nfs/dbraw/zinc/41/22/75/692412275.db2.gz LDPLXPDOMZSBBN-YOEHRIQHSA-N 1 3 319.449 0.976 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CCCO)CC2 ZINC001016953076 692813312 /nfs/dbraw/zinc/81/33/12/692813312.db2.gz ZXBJYHGPMNSZCJ-AWEZNQCLSA-N 1 3 306.410 0.614 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1)C1CC1 ZINC001018966488 693299881 /nfs/dbraw/zinc/29/98/81/693299881.db2.gz KDRSKWDZSGTWEO-JKSUJKDBSA-N 1 3 319.453 0.493 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001018990392 693310609 /nfs/dbraw/zinc/31/06/09/693310609.db2.gz IRHKKAZVROMFPL-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001018990392 693310613 /nfs/dbraw/zinc/31/06/13/693310613.db2.gz IRHKKAZVROMFPL-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001019394515 693461243 /nfs/dbraw/zinc/46/12/43/693461243.db2.gz KDMCOKXOGWGLSQ-GJZGRUSLSA-N 1 3 307.442 0.493 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001019652694 693554356 /nfs/dbraw/zinc/55/43/56/693554356.db2.gz SSVZMGRMOYRYFW-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019652694 693554358 /nfs/dbraw/zinc/55/43/58/693554358.db2.gz SSVZMGRMOYRYFW-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001019816151 693596375 /nfs/dbraw/zinc/59/63/75/693596375.db2.gz TVOLDAAOVJEONH-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC3(C2)CC[NH+](CCO)CC3)C1 ZINC001040848542 694620660 /nfs/dbraw/zinc/62/06/60/694620660.db2.gz KOUPNQSNCAWVDB-HNNXBMFYSA-N 1 3 309.454 0.635 20 0 DCADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2)C1CC1 ZINC001072814392 694669429 /nfs/dbraw/zinc/66/94/29/694669429.db2.gz CFPNROUKAFDPHO-ZBFHGGJFSA-N 1 3 321.465 0.897 20 0 DCADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2)C1CC1 ZINC001072814392 694669430 /nfs/dbraw/zinc/66/94/30/694669430.db2.gz CFPNROUKAFDPHO-ZBFHGGJFSA-N 1 3 321.465 0.897 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)CC[NH+](C)C ZINC001074198111 694838622 /nfs/dbraw/zinc/83/86/22/694838622.db2.gz KCOISXYXDWQBEV-GXTWGEPZSA-N 1 3 321.425 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)[C@@H]1C)N(C)C ZINC001074885459 694928571 /nfs/dbraw/zinc/92/85/71/694928571.db2.gz FENPNPNECQAGNQ-FQUUOJAGSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075785079 694976399 /nfs/dbraw/zinc/97/63/99/694976399.db2.gz QSKNKMXDKKAYRM-ARFHVFGLSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075785079 694976400 /nfs/dbraw/zinc/97/64/00/694976400.db2.gz QSKNKMXDKKAYRM-ARFHVFGLSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070412 694996970 /nfs/dbraw/zinc/99/69/70/694996970.db2.gz HWQNGPIBXMMRGX-SYGRHNPNSA-N 1 3 319.449 0.791 20 0 DCADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070412 694996971 /nfs/dbraw/zinc/99/69/71/694996971.db2.gz HWQNGPIBXMMRGX-SYGRHNPNSA-N 1 3 319.449 0.791 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076161386 695002392 /nfs/dbraw/zinc/00/23/92/695002392.db2.gz KTCYZSDAQQGAAH-HRCADAONSA-N 1 3 309.454 0.633 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076161386 695002393 /nfs/dbraw/zinc/00/23/93/695002393.db2.gz KTCYZSDAQQGAAH-HRCADAONSA-N 1 3 309.454 0.633 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076712587 695040074 /nfs/dbraw/zinc/04/00/74/695040074.db2.gz ARCXWXBQALXURS-CHWSQXEVSA-N 1 3 306.366 0.147 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076712587 695040075 /nfs/dbraw/zinc/04/00/75/695040075.db2.gz ARCXWXBQALXURS-CHWSQXEVSA-N 1 3 306.366 0.147 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)N(C)C)NC(=O)CC[NH+](C)C ZINC001076956747 695109102 /nfs/dbraw/zinc/10/91/02/695109102.db2.gz VOFSBGNUPVUCCY-SWLSCSKDSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001649455163 1157430183 /nfs/dbraw/zinc/43/01/83/1157430183.db2.gz BRKMEVCDVXPLIF-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CC[NH2+]CCn1cc(Cl)cn1)C(=O)[C@@H]1CCCN1C ZINC001691277784 1157628024 /nfs/dbraw/zinc/62/80/24/1157628024.db2.gz IZTMWDWQQIPBMT-ZDUSSCGKSA-N 1 3 313.833 0.679 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(CNCCF)CC2)C1 ZINC001755154903 1157963367 /nfs/dbraw/zinc/96/33/67/1157963367.db2.gz NIKULRUOTNZOOX-CYBMUJFWSA-N 1 3 301.406 0.241 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(O)(CNCCF)CC2)C1 ZINC001755154903 1157963371 /nfs/dbraw/zinc/96/33/71/1157963371.db2.gz NIKULRUOTNZOOX-CYBMUJFWSA-N 1 3 301.406 0.241 20 0 DCADHO N[C@H]1CCc2cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)ccc2NC1=O ZINC001648987288 1158271303 /nfs/dbraw/zinc/27/13/03/1158271303.db2.gz MLVGKTROSIMSGJ-IPYPFGDCSA-N 1 3 314.389 0.333 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691556237 1158339062 /nfs/dbraw/zinc/33/90/62/1158339062.db2.gz RGKPFVHATRQYRL-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691556237 1158339070 /nfs/dbraw/zinc/33/90/70/1158339070.db2.gz RGKPFVHATRQYRL-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO [NH3+]C1CCN(CCNC(=O)c2ccc3c(c2)OCCNC3)CC1 ZINC001649064988 1158630410 /nfs/dbraw/zinc/63/04/10/1158630410.db2.gz XXUMXIHZISDIQH-UHFFFAOYSA-N 1 3 318.421 0.322 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001687551511 1159041431 /nfs/dbraw/zinc/04/14/31/1159041431.db2.gz RPYAWRZDWLALOP-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001687551511 1159041438 /nfs/dbraw/zinc/04/14/38/1159041438.db2.gz RPYAWRZDWLALOP-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001445957416 1159325414 /nfs/dbraw/zinc/32/54/14/1159325414.db2.gz UYHIUXZBLUABPZ-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC001453217128 1159750947 /nfs/dbraw/zinc/75/09/47/1159750947.db2.gz VBISZHRCTCFJMO-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@H]1CCCN(C)C1=O ZINC001566574879 1160071160 /nfs/dbraw/zinc/07/11/60/1160071160.db2.gz LOPVLWJQLKXHKE-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@H]1CCCN(C)C1=O ZINC001566574879 1160071166 /nfs/dbraw/zinc/07/11/66/1160071166.db2.gz LOPVLWJQLKXHKE-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)n1 ZINC001567560907 1160420430 /nfs/dbraw/zinc/42/04/30/1160420430.db2.gz UQLOLGQYSOSZIA-CYBMUJFWSA-N 1 3 322.457 0.285 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NCC2CCC2)C1 ZINC001567560592 1160420460 /nfs/dbraw/zinc/42/04/60/1160420460.db2.gz KOQQOPUQGZVIQW-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NCC2CCC2)C1 ZINC001567560592 1160420464 /nfs/dbraw/zinc/42/04/64/1160420464.db2.gz KOQQOPUQGZVIQW-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001567594108 1160435046 /nfs/dbraw/zinc/43/50/46/1160435046.db2.gz YNYFRBUJYZQELV-CQSZACIVSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001568906832 1160857194 /nfs/dbraw/zinc/85/71/94/1160857194.db2.gz YIQNEOSVKQLHGF-GKAAIYSZSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001568906832 1160857196 /nfs/dbraw/zinc/85/71/96/1160857196.db2.gz YIQNEOSVKQLHGF-GKAAIYSZSA-N 1 3 322.453 0.257 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001568952211 1160893587 /nfs/dbraw/zinc/89/35/87/1160893587.db2.gz VJNCDWWPEOOPPK-NNTXTVRGSA-N 1 3 322.453 0.259 20 0 DCADHO CCn1nncc1C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001569209303 1160980118 /nfs/dbraw/zinc/98/01/18/1160980118.db2.gz ACRKVCKWRBBOBZ-UHFFFAOYSA-N 1 3 322.457 0.720 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001569551563 1161111824 /nfs/dbraw/zinc/11/18/24/1161111824.db2.gz MTICKGYDQGKESO-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)N2CCO[C@H](C[NH2+]CCCF)C2)CCC1 ZINC001570143019 1161441485 /nfs/dbraw/zinc/44/14/85/1161441485.db2.gz YPNNHGHDVYWEDQ-CYBMUJFWSA-N 1 3 301.406 0.647 20 0 DCADHO CC1(N2CCC2)CCN(S(=O)(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC001573622220 1163516342 /nfs/dbraw/zinc/51/63/42/1163516342.db2.gz JOTHRPIIDIBMNH-AWEZNQCLSA-N 1 3 315.483 0.876 20 0 DCADHO COc1ccc(C[C@@](C)(CO)[NH2+]C[C@@]2(O)CCCNC2)cc1 ZINC001574031198 1163627181 /nfs/dbraw/zinc/62/71/81/1163627181.db2.gz TUZGTAQRHHCVBI-DLBZAZTESA-N 1 3 308.422 0.693 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NCc3c[nH]nn3)C2)CC1 ZINC001575422190 1164008051 /nfs/dbraw/zinc/00/80/51/1164008051.db2.gz QCRBRPBVSHVBGP-AWEZNQCLSA-N 1 3 320.441 0.616 20 0 DCADHO C[C@@H](CCCNCc1cn[nH]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575532364 1164049543 /nfs/dbraw/zinc/04/95/43/1164049543.db2.gz YPEZTHNAOBEWEH-WFASDCNBSA-N 1 3 320.441 0.521 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CCCCN1C)[NH2+]CCc1cn[nH]n1 ZINC001575531087 1164050216 /nfs/dbraw/zinc/05/02/16/1164050216.db2.gz FZHICTGGBZLBIT-TZMCWYRMSA-N 1 3 308.430 0.316 20 0 DCADHO C[C@@H](CCCNCc1cn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575531078 1164050919 /nfs/dbraw/zinc/05/09/19/1164050919.db2.gz TUQKMONUXSWGPV-IHRRRGAJSA-N 1 3 322.457 0.910 20 0 DCADHO C[C@@H](CCCNCc1cn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575531078 1164050924 /nfs/dbraw/zinc/05/09/24/1164050924.db2.gz TUQKMONUXSWGPV-IHRRRGAJSA-N 1 3 322.457 0.910 20 0 DCADHO CC1(C)OC[C@H](CC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)O1 ZINC001576495764 1164365154 /nfs/dbraw/zinc/36/51/54/1164365154.db2.gz UOYHPZCDNQBGJI-KBPBESRZSA-N 1 3 309.414 0.915 20 0 DCADHO CC1(C)OC[C@H](CC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)O1 ZINC001576495764 1164365160 /nfs/dbraw/zinc/36/51/60/1164365160.db2.gz UOYHPZCDNQBGJI-KBPBESRZSA-N 1 3 309.414 0.915 20 0 DCADHO CCC[C@@H]1CN(c2nnc(C)n2C[C@@H](C)[NH3+])CCN1CCOC ZINC001577379983 1164681019 /nfs/dbraw/zinc/68/10/19/1164681019.db2.gz FCTPXJFLYRTQMS-UKRRQHHQSA-N 1 3 324.473 0.871 20 0 DCADHO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]CC(CC)(CC)CN)C1 ZINC001577967910 1164868018 /nfs/dbraw/zinc/86/80/18/1164868018.db2.gz ZIMJHPFYHBBUHQ-STQMWFEESA-N 1 3 301.431 0.790 20 0 DCADHO CCOC1CC(O)(CNCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001578093618 1164922435 /nfs/dbraw/zinc/92/24/35/1164922435.db2.gz IFDANMJCJPKJEC-LRVUVFPRSA-N 1 3 309.414 0.222 20 0 DCADHO CCc1nnc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1CCN1CC=CCC1 ZINC001578306991 1164971141 /nfs/dbraw/zinc/97/11/41/1164971141.db2.gz ZEQYZZIVRZSREE-KGLIPLIRSA-N 1 3 304.442 0.886 20 0 DCADHO CCc1nnc(N2C[C@H](C)[C@H]([NH3+])C2)n1CCN1CC=CCC1 ZINC001578306992 1164971423 /nfs/dbraw/zinc/97/14/23/1164971423.db2.gz ZEQYZZIVRZSREE-UONOGXRCSA-N 1 3 304.442 0.886 20 0 DCADHO CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCN(C)C1 ZINC001578528651 1165045165 /nfs/dbraw/zinc/04/51/65/1165045165.db2.gz IYUSWCZFTRGREL-HUUCEWRRSA-N 1 3 324.469 0.881 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC001578640608 1165073901 /nfs/dbraw/zinc/07/39/01/1165073901.db2.gz IUGPHPJTPXQUND-NVXWUHKLSA-N 1 3 321.465 0.836 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001578647222 1165077369 /nfs/dbraw/zinc/07/73/69/1165077369.db2.gz URFSDQIKLDZPSE-BPUTZDHNSA-N 1 3 307.438 0.930 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC001579301991 1165265828 /nfs/dbraw/zinc/26/58/28/1165265828.db2.gz SWRIQNLRMUHBAQ-RHSMWYFYSA-N 1 3 321.421 0.658 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC001579301991 1165265837 /nfs/dbraw/zinc/26/58/37/1165265837.db2.gz SWRIQNLRMUHBAQ-RHSMWYFYSA-N 1 3 321.421 0.658 20 0 DCADHO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC001580175158 1165527477 /nfs/dbraw/zinc/52/74/77/1165527477.db2.gz CMPSWLKFXLFQGL-IHRRRGAJSA-N 1 3 301.456 0.662 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC12CC[NH2+]CC2 ZINC001580661522 1165678180 /nfs/dbraw/zinc/67/81/80/1165678180.db2.gz YFPJRKBIVGGRIB-KGLIPLIRSA-N 1 3 308.426 0.387 20 0 DCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CCC[NH2+]CC1 ZINC001580661788 1165678582 /nfs/dbraw/zinc/67/85/82/1165678582.db2.gz UYOVYLLKVBRQCJ-ZFWWWQNUSA-N 1 3 310.442 0.681 20 0 DCADHO O[C@]1(CN2CCN(Cc3cscn3)CC2)CCC[NH2+]CC1 ZINC001580879977 1165750034 /nfs/dbraw/zinc/75/00/34/1165750034.db2.gz IJGBOXYSUKIQJF-OAHLLOKOSA-N 1 3 310.467 0.765 20 0 DCADHO C[C@H](N)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001645883124 1172169874 /nfs/dbraw/zinc/16/98/74/1172169874.db2.gz AQHJLBBZWBNSOS-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001646057232 1172234323 /nfs/dbraw/zinc/23/43/23/1172234323.db2.gz LKEKBTVIOLCQNV-INIZCTEOSA-N 1 3 324.469 0.576 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001646120770 1172258612 /nfs/dbraw/zinc/25/86/12/1172258612.db2.gz XPTVCOKLRTUBHC-GJMOJQLCSA-N 1 3 303.275 0.955 20 0 DCADHO COc1ccc(COC[C@H](O)CNC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001646520813 1172413713 /nfs/dbraw/zinc/41/37/13/1172413713.db2.gz VVMKURGOXFZWAV-WBVHZDCISA-N 1 3 324.421 0.229 20 0 DCADHO COc1ccc(COC[C@H](O)CNC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001646520813 1172413716 /nfs/dbraw/zinc/41/37/16/1172413716.db2.gz VVMKURGOXFZWAV-WBVHZDCISA-N 1 3 324.421 0.229 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[C@@H]1C[NH3+] ZINC001647561569 1172971909 /nfs/dbraw/zinc/97/19/09/1172971909.db2.gz VPWZRWPMKPDZKL-APIJFGDWSA-N 1 3 310.442 0.476 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001649705331 1173176951 /nfs/dbraw/zinc/17/69/51/1173176951.db2.gz YQEOTCTWDHOJAS-RRFJBIMHSA-N 1 3 312.458 0.879 20 0 DCADHO Cc1nc([C@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)no1 ZINC001650015367 1173376573 /nfs/dbraw/zinc/37/65/73/1173376573.db2.gz PSPOUECIWHOTNZ-OLZOCXBDSA-N 1 3 307.398 0.365 20 0 DCADHO Cc1nc([C@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)no1 ZINC001650015367 1173376582 /nfs/dbraw/zinc/37/65/82/1173376582.db2.gz PSPOUECIWHOTNZ-OLZOCXBDSA-N 1 3 307.398 0.365 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@@H]1C[NH3+] ZINC001650172849 1173497251 /nfs/dbraw/zinc/49/72/51/1173497251.db2.gz KMJMLUPOFYIBPL-IIAWOOMASA-N 1 3 324.469 0.866 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001650338483 1173576706 /nfs/dbraw/zinc/57/67/06/1173576706.db2.gz JYTKXPDTUBZELQ-PBHICJAKSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001650348121 1173585544 /nfs/dbraw/zinc/58/55/44/1173585544.db2.gz KOOJYZQAZFTMBX-REUGXJQISA-N 1 3 317.433 0.723 20 0 DCADHO NC(=O)c1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC001655568577 1173822947 /nfs/dbraw/zinc/82/29/47/1173822947.db2.gz MECOZAMMFOAFRR-OAHLLOKOSA-N 1 3 318.421 0.463 20 0 DCADHO COCCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001656783882 1173884947 /nfs/dbraw/zinc/88/49/47/1173884947.db2.gz FGSQOHOJKPORNX-HNNXBMFYSA-N 1 3 324.425 0.274 20 0 DCADHO COCCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001656783882 1173884953 /nfs/dbraw/zinc/88/49/53/1173884953.db2.gz FGSQOHOJKPORNX-HNNXBMFYSA-N 1 3 324.425 0.274 20 0 DCADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCCN(C)C1=O ZINC001660281717 1173970196 /nfs/dbraw/zinc/97/01/96/1173970196.db2.gz CVGJSRVUXREPOG-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCCN(C)C1=O ZINC001660281716 1173971010 /nfs/dbraw/zinc/97/10/10/1173971010.db2.gz CVGJSRVUXREPOG-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)[C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001660529582 1174006838 /nfs/dbraw/zinc/00/68/38/1174006838.db2.gz XQRFSDCIQJQIFN-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)[C@@H](C)C(N)=O)CC[N@H+]1C ZINC001660529582 1174006843 /nfs/dbraw/zinc/00/68/43/1174006843.db2.gz XQRFSDCIQJQIFN-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001666870712 1174642537 /nfs/dbraw/zinc/64/25/37/1174642537.db2.gz NDZQBTXNUWJCKN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001668883433 1174855496 /nfs/dbraw/zinc/85/54/96/1174855496.db2.gz OWDRPSXEJAINHD-IDTUSYRASA-N 1 3 320.437 0.488 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001669002538 1174875260 /nfs/dbraw/zinc/87/52/60/1174875260.db2.gz ZCFHQMYILRIMDO-VMPYYGSESA-N 1 3 322.453 0.209 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001669002538 1174875265 /nfs/dbraw/zinc/87/52/65/1174875265.db2.gz ZCFHQMYILRIMDO-VMPYYGSESA-N 1 3 322.453 0.209 20 0 DCADHO CN(CCC[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001670041897 1174973387 /nfs/dbraw/zinc/97/33/87/1174973387.db2.gz MBITWHUZYPVBMK-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001670131699 1174984695 /nfs/dbraw/zinc/98/46/95/1174984695.db2.gz YOZKMDJZHXGMFH-AWEZNQCLSA-N 1 3 300.447 0.099 20 0 DCADHO C[C@@H](NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1cnccn1 ZINC001670345166 1175006057 /nfs/dbraw/zinc/00/60/57/1175006057.db2.gz REZQVBOEOXXLNX-KGLIPLIRSA-N 1 3 305.426 0.927 20 0 DCADHO C[C@@H](NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1cnccn1 ZINC001670345166 1175006065 /nfs/dbraw/zinc/00/60/65/1175006065.db2.gz REZQVBOEOXXLNX-KGLIPLIRSA-N 1 3 305.426 0.927 20 0 DCADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001672443149 1175107385 /nfs/dbraw/zinc/10/73/85/1175107385.db2.gz UIGTVVVOPISQRJ-SOUVJXGZSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001673288627 1175186541 /nfs/dbraw/zinc/18/65/41/1175186541.db2.gz MJBMJJOJQGRBMC-LSDHHAIUSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001673288627 1175186543 /nfs/dbraw/zinc/18/65/43/1175186543.db2.gz MJBMJJOJQGRBMC-LSDHHAIUSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001673316254 1175189735 /nfs/dbraw/zinc/18/97/35/1175189735.db2.gz DDIPGNDHDNWZOK-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001690484567 1177252088 /nfs/dbraw/zinc/25/20/88/1177252088.db2.gz YRVUVNZLZRFTFK-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001690899565 1177347241 /nfs/dbraw/zinc/34/72/41/1177347241.db2.gz SGEGTVFNXYKGEW-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001690899565 1177347246 /nfs/dbraw/zinc/34/72/46/1177347246.db2.gz SGEGTVFNXYKGEW-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1)C(N)=O ZINC001698734767 1177622800 /nfs/dbraw/zinc/62/28/00/1177622800.db2.gz FYUVVIXOWCFBHL-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCOCC(F)F)CC[N@@H+]1C ZINC001699003471 1177762636 /nfs/dbraw/zinc/76/26/36/1177762636.db2.gz XQANDYAIPAMRFQ-CHWSQXEVSA-N 1 3 321.412 0.999 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCOCC(F)F)CC[N@H+]1C ZINC001699003471 1177762643 /nfs/dbraw/zinc/76/26/43/1177762643.db2.gz XQANDYAIPAMRFQ-CHWSQXEVSA-N 1 3 321.412 0.999 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699048604 1177798156 /nfs/dbraw/zinc/79/81/56/1177798156.db2.gz SRAQNXOUGMCVFY-ZIAGYGMSSA-N 1 3 301.406 0.430 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001699048604 1177798161 /nfs/dbraw/zinc/79/81/61/1177798161.db2.gz SRAQNXOUGMCVFY-ZIAGYGMSSA-N 1 3 301.406 0.430 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001699154564 1177899583 /nfs/dbraw/zinc/89/95/83/1177899583.db2.gz QXGDFQBOPKSVSU-NSHDSACASA-N 1 3 305.386 0.037 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699204400 1177939006 /nfs/dbraw/zinc/93/90/06/1177939006.db2.gz IWWLQBAUIYCHFJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001699204400 1177939014 /nfs/dbraw/zinc/93/90/14/1177939014.db2.gz IWWLQBAUIYCHFJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH2+]CCO)c1 ZINC001699767709 1178281408 /nfs/dbraw/zinc/28/14/08/1178281408.db2.gz VBDWNHZUTILBAP-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO CN(C)C1(C(=O)N2CCC(O)(C[NH2+]CCF)CC2)CCC1 ZINC001700302256 1178572461 /nfs/dbraw/zinc/57/24/61/1178572461.db2.gz YXKKQILLOHCGRO-UHFFFAOYSA-N 1 3 301.406 0.383 20 0 DCADHO C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCF)N1CCCCCC1 ZINC001700809316 1178759262 /nfs/dbraw/zinc/75/92/62/1178759262.db2.gz VLESBZPKBCWAHA-KBPBESRZSA-N 1 3 303.422 0.677 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700947062 1178823939 /nfs/dbraw/zinc/82/39/39/1178823939.db2.gz XOOAHSOHYFQXOW-AWEZNQCLSA-N 1 3 317.449 0.877 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCNC(=O)[C@H]2CCCN2C)C1 ZINC001703632899 1179623735 /nfs/dbraw/zinc/62/37/35/1179623735.db2.gz WAOLESWZOJTYNN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)[C@H]2CCCN2C)C1 ZINC001703632899 1179623742 /nfs/dbraw/zinc/62/37/42/1179623742.db2.gz WAOLESWZOJTYNN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713592006 1180950015 /nfs/dbraw/zinc/95/00/15/1180950015.db2.gz GCISHDDWYGSNAJ-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714706249 1181493397 /nfs/dbraw/zinc/49/33/97/1181493397.db2.gz FVUQUKPKWIYVIG-OAHLLOKOSA-N 1 3 305.426 0.310 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714755535 1181526527 /nfs/dbraw/zinc/52/65/27/1181526527.db2.gz LASUNHLWURKBMG-UHFFFAOYSA-N 1 3 309.458 0.946 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001714755535 1181526533 /nfs/dbraw/zinc/52/65/33/1181526533.db2.gz LASUNHLWURKBMG-UHFFFAOYSA-N 1 3 309.458 0.946 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001715702225 1181948309 /nfs/dbraw/zinc/94/83/09/1181948309.db2.gz WIENUCZZIIKTMH-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)(C(=O)NC/C=C/CN[C@H]1CCNC1=O)[NH+]1CCCCC1 ZINC001715821567 1182028377 /nfs/dbraw/zinc/02/83/77/1182028377.db2.gz STZDNJDRGGLFMU-NNTXTVRGSA-N 1 3 322.453 0.401 20 0 DCADHO C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CCCC[NH+](C)C ZINC001716000021 1182138553 /nfs/dbraw/zinc/13/85/53/1182138553.db2.gz FHKYTDQIRVIEOI-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]C[C@H]1CCCOC1 ZINC001716370294 1182361731 /nfs/dbraw/zinc/36/17/31/1182361731.db2.gz UTLILUSUYFQPSC-BAABZTOOSA-N 1 3 306.410 0.949 20 0 DCADHO CCn1nncc1CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717694422 1182955008 /nfs/dbraw/zinc/95/50/08/1182955008.db2.gz LXFPRTNNZLIKSD-ZIAGYGMSSA-N 1 3 322.457 0.624 20 0 DCADHO CCn1nncc1CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001717694422 1182955010 /nfs/dbraw/zinc/95/50/10/1182955010.db2.gz LXFPRTNNZLIKSD-ZIAGYGMSSA-N 1 3 322.457 0.624 20 0 DCADHO Cn1cncc1C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001724738683 1184541793 /nfs/dbraw/zinc/54/17/93/1184541793.db2.gz NEMFWQWNQHEZCH-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO CC1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001731759703 1185471788 /nfs/dbraw/zinc/47/17/88/1185471788.db2.gz VSOKEBFTNCAIMS-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CC1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001731759703 1185471792 /nfs/dbraw/zinc/47/17/92/1185471792.db2.gz VSOKEBFTNCAIMS-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](O)C[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001731952183 1185603587 /nfs/dbraw/zinc/60/35/87/1185603587.db2.gz IMECXDUIDWKRMQ-WFASDCNBSA-N 1 3 303.422 0.628 20 0 DCADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001732935565 1186069333 /nfs/dbraw/zinc/06/93/33/1186069333.db2.gz LUOLMRMQCCPRRG-PHQDNCEWSA-N 1 3 307.438 0.771 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCOCC(F)(F)F ZINC001734343831 1186619311 /nfs/dbraw/zinc/61/93/11/1186619311.db2.gz UGMLZKXKIXNZPR-SNVBAGLBSA-N 1 3 322.331 0.968 20 0 DCADHO COCCOCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001734500700 1186666917 /nfs/dbraw/zinc/66/69/17/1186666917.db2.gz LSZDXSSZKMAQAN-AWEZNQCLSA-N 1 3 324.425 0.442 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001742783805 1188050919 /nfs/dbraw/zinc/05/09/19/1188050919.db2.gz JEPHWCMSQQLCKB-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001742783805 1188050922 /nfs/dbraw/zinc/05/09/22/1188050922.db2.gz JEPHWCMSQQLCKB-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001747135507 1188242686 /nfs/dbraw/zinc/24/26/86/1188242686.db2.gz JLODUSFDBZPBIB-BWPKMQGJSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCc2cnn(C)c2)C1 ZINC001752964110 1188468922 /nfs/dbraw/zinc/46/89/22/1188468922.db2.gz XSRGJCPJYWTJPS-MRXNPFEDSA-N 1 3 321.469 0.741 20 0 DCADHO CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CCCC1 ZINC001753039804 1188481639 /nfs/dbraw/zinc/48/16/39/1188481639.db2.gz KISVXCSNSJHXTB-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CCCC1 ZINC001753039804 1188481640 /nfs/dbraw/zinc/48/16/40/1188481640.db2.gz KISVXCSNSJHXTB-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001753558729 1188617440 /nfs/dbraw/zinc/61/74/40/1188617440.db2.gz HOEKCYMQPZDMAO-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO O=C(NC[C@H](O)CNC/C=C\Cl)[C@H]1C[NH+]2CCC1CC2 ZINC001753910909 1188678815 /nfs/dbraw/zinc/67/88/15/1188678815.db2.gz GLHAVUKBPBTJME-PNZFOYIJSA-N 1 3 301.818 0.147 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754266622 1188802918 /nfs/dbraw/zinc/80/29/18/1188802918.db2.gz ASJYABIXQYUZMQ-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC001755008709 1188994886 /nfs/dbraw/zinc/99/48/86/1188994886.db2.gz CEYAMCNYPUVTHJ-LSDHHAIUSA-N 1 3 322.409 0.338 20 0 DCADHO CN1CCN(CCNC(=O)N2CC[C@@H](CC[NH3+])C2)CC1(C)C ZINC001772063046 1190421741 /nfs/dbraw/zinc/42/17/41/1190421741.db2.gz IZLDAQRKCFYNQW-CQSZACIVSA-N 1 3 311.474 0.393 20 0 DCADHO COCCN1CCC(NC(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001772049616 1190599420 /nfs/dbraw/zinc/59/94/20/1190599420.db2.gz KRPIOYXYEIINPC-UHFFFAOYSA-N 1 3 310.442 0.666 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001772223868 1190634439 /nfs/dbraw/zinc/63/44/39/1190634439.db2.gz GLSYJMMTNDRCCP-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001772278918 1190652109 /nfs/dbraw/zinc/65/21/09/1190652109.db2.gz WPUSBPVARPCOII-MFOWVQHXSA-N 1 3 311.426 0.790 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001577383335 1164681255 /nfs/dbraw/zinc/68/12/55/1164681255.db2.gz NXNGDIKIUNVPDD-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC1(C)CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)N(CCO)C1 ZINC001089641526 751501474 /nfs/dbraw/zinc/50/14/74/751501474.db2.gz OESZXBZSLNBZDT-CVEARBPZSA-N 1 3 323.481 0.927 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)CN2CCO)CC1 ZINC001089690549 751523838 /nfs/dbraw/zinc/52/38/38/751523838.db2.gz SFICXMMCMUBUKE-OAHLLOKOSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(CC)CC)CC[N@@H+]1C ZINC001127695510 751642625 /nfs/dbraw/zinc/64/26/25/751642625.db2.gz OVRDINXOPDEKOT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(CC)CC)CC[N@H+]1C ZINC001127695510 751642627 /nfs/dbraw/zinc/64/26/27/751642627.db2.gz OVRDINXOPDEKOT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001107036506 751782488 /nfs/dbraw/zinc/78/24/88/751782488.db2.gz MVXHCONESBOHPY-OAGGEKHMSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001107042712 751787448 /nfs/dbraw/zinc/78/74/48/751787448.db2.gz ZDOVIFUKWUWRES-KFWWJZLASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783560 751979399 /nfs/dbraw/zinc/97/93/99/751979399.db2.gz YYTUUFORHQFDEO-SJORKVTESA-N 1 3 319.449 0.974 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC001203204056 747272297 /nfs/dbraw/zinc/27/22/97/747272297.db2.gz XWFCTLCPSPNCNL-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC001203204056 747272301 /nfs/dbraw/zinc/27/23/01/747272301.db2.gz XWFCTLCPSPNCNL-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001167480344 747276474 /nfs/dbraw/zinc/27/64/74/747276474.db2.gz AWIYUYXUUNKYPD-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626482 747436578 /nfs/dbraw/zinc/43/65/78/747436578.db2.gz CGFGJQTTWODQCZ-GJZGRUSLSA-N 1 3 315.458 0.353 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001100681446 747610086 /nfs/dbraw/zinc/61/00/86/747610086.db2.gz JSDFIPVUSXPGEY-JXQTWKCFSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104679658 747827239 /nfs/dbraw/zinc/82/72/39/747827239.db2.gz MCGPUQLUHOLEDH-RBSFLKMASA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104683210 747830104 /nfs/dbraw/zinc/83/01/04/747830104.db2.gz IOTUNFGCTYJOHW-ZIAGYGMSSA-N 1 3 324.469 0.278 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372402 748637621 /nfs/dbraw/zinc/63/76/21/748637621.db2.gz DZLMEVFGOZOKHC-GFCCVEGCSA-N 1 3 306.414 0.113 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372402 748637627 /nfs/dbraw/zinc/63/76/27/748637627.db2.gz DZLMEVFGOZOKHC-GFCCVEGCSA-N 1 3 306.414 0.113 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107090 749241220 /nfs/dbraw/zinc/24/12/20/749241220.db2.gz GLIJOZSQWLLWLD-XHSDSOJGSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107090 749241225 /nfs/dbraw/zinc/24/12/25/749241225.db2.gz GLIJOZSQWLLWLD-XHSDSOJGSA-N 1 3 323.481 0.879 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088329880 749372352 /nfs/dbraw/zinc/37/23/52/749372352.db2.gz JRMAVDGQIXTKQH-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088329880 749372359 /nfs/dbraw/zinc/37/23/59/749372359.db2.gz JRMAVDGQIXTKQH-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO NC(=O)CN[C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001088430643 749438268 /nfs/dbraw/zinc/43/82/68/749438268.db2.gz UXRBYNZXBSVNJQ-HNNXBMFYSA-N 1 3 324.469 0.709 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001168335889 749921311 /nfs/dbraw/zinc/92/13/11/749921311.db2.gz ZFHBFGUSNRSMKE-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2ccnn2C)C1 ZINC001101039594 749988028 /nfs/dbraw/zinc/98/80/28/749988028.db2.gz TWHFCPJCEPDPOL-UHFFFAOYSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CN1CCCO ZINC001071646491 762019348 /nfs/dbraw/zinc/01/93/48/762019348.db2.gz ZMFWEZNCJFWEMT-CABCVRRESA-N 1 3 309.454 0.966 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254924 750933042 /nfs/dbraw/zinc/93/30/42/750933042.db2.gz GRTHRSACZAPRGO-ZBFHGGJFSA-N 1 3 319.453 0.809 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254924 750933047 /nfs/dbraw/zinc/93/30/47/750933047.db2.gz GRTHRSACZAPRGO-ZBFHGGJFSA-N 1 3 319.453 0.809 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255335 750936406 /nfs/dbraw/zinc/93/64/06/750936406.db2.gz IQNIKNFFCYAFLT-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255335 750936412 /nfs/dbraw/zinc/93/64/12/750936412.db2.gz IQNIKNFFCYAFLT-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001106340156 751115015 /nfs/dbraw/zinc/11/50/15/751115015.db2.gz NQQSBAPAAPRILA-MCIONIFRSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)N(C)C ZINC001106673070 751223963 /nfs/dbraw/zinc/22/39/63/751223963.db2.gz AKTGUSTWLAFCDU-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO CC(C)=CCN1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892848 752819972 /nfs/dbraw/zinc/81/99/72/752819972.db2.gz MPCATCWHWGQEHN-HZPDHXFCSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748873 752857834 /nfs/dbraw/zinc/85/78/34/752857834.db2.gz GCSQLAXNGWJIFB-STQMWFEESA-N 1 3 319.409 0.154 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCCC1 ZINC001044857471 752904474 /nfs/dbraw/zinc/90/44/74/752904474.db2.gz KAEKLNMRVKODTP-HUUCEWRRSA-N 1 3 320.441 0.343 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C ZINC001045200660 753087002 /nfs/dbraw/zinc/08/70/02/753087002.db2.gz LAERVJLUNCRIEN-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078228329 753123955 /nfs/dbraw/zinc/12/39/55/753123955.db2.gz MKUHIUKAMBYNCC-MGPQQGTHSA-N 1 3 301.406 0.382 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078228329 753123956 /nfs/dbraw/zinc/12/39/56/753123956.db2.gz MKUHIUKAMBYNCC-MGPQQGTHSA-N 1 3 301.406 0.382 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001045274836 753125239 /nfs/dbraw/zinc/12/52/39/753125239.db2.gz URLQDYWSYSUGHX-AWEZNQCLSA-N 1 3 317.437 0.597 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001045309344 753139110 /nfs/dbraw/zinc/13/91/10/753139110.db2.gz PZEMZVUPAWOIPJ-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001045309344 753139116 /nfs/dbraw/zinc/13/91/16/753139116.db2.gz PZEMZVUPAWOIPJ-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046011132 753415403 /nfs/dbraw/zinc/41/54/03/753415403.db2.gz ZUMFEYILVORNRO-HZPDHXFCSA-N 1 3 308.470 0.708 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046011132 753415407 /nfs/dbraw/zinc/41/54/07/753415407.db2.gz ZUMFEYILVORNRO-HZPDHXFCSA-N 1 3 308.470 0.708 20 0 DCADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001046039149 753442034 /nfs/dbraw/zinc/44/20/34/753442034.db2.gz SYEZCJHPCYOMNF-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001046039149 753442040 /nfs/dbraw/zinc/44/20/40/753442040.db2.gz SYEZCJHPCYOMNF-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001046062465 753456319 /nfs/dbraw/zinc/45/63/19/753456319.db2.gz HCYMLOCKBYEWJJ-HOTGVXAUSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001046062465 753456323 /nfs/dbraw/zinc/45/63/23/753456323.db2.gz HCYMLOCKBYEWJJ-HOTGVXAUSA-N 1 3 310.486 0.954 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064674 753458626 /nfs/dbraw/zinc/45/86/26/753458626.db2.gz RMCYXSULTFFDJY-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064674 753458627 /nfs/dbraw/zinc/45/86/27/753458627.db2.gz RMCYXSULTFFDJY-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046066905 753459646 /nfs/dbraw/zinc/45/96/46/753459646.db2.gz RRZUDCSPLBFSLM-MRXNPFEDSA-N 1 3 317.437 0.581 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046066905 753459648 /nfs/dbraw/zinc/45/96/48/753459648.db2.gz RRZUDCSPLBFSLM-MRXNPFEDSA-N 1 3 317.437 0.581 20 0 DCADHO O=C(CN1CCCC1)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046082905 753472648 /nfs/dbraw/zinc/47/26/48/753472648.db2.gz XYLPISRFLUNYLT-KRWDZBQOSA-N 1 3 320.481 0.711 20 0 DCADHO O=C(CN1CCCC1)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046082905 753472653 /nfs/dbraw/zinc/47/26/53/753472653.db2.gz XYLPISRFLUNYLT-KRWDZBQOSA-N 1 3 320.481 0.711 20 0 DCADHO C[C@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117275771 753655568 /nfs/dbraw/zinc/65/55/68/753655568.db2.gz HKHFGSRUJYHLPC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO COCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046492033 753747861 /nfs/dbraw/zinc/74/78/61/753747861.db2.gz HAGZFUSJHASOLW-HTUOJYHCSA-N 1 3 323.437 0.077 20 0 DCADHO COCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046492033 753747863 /nfs/dbraw/zinc/74/78/63/753747863.db2.gz HAGZFUSJHASOLW-HTUOJYHCSA-N 1 3 323.437 0.077 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@]2(C)CCN(CCO)C2)cc1 ZINC001046707103 753889096 /nfs/dbraw/zinc/88/90/96/753889096.db2.gz OWHHEHRVYIWUKS-QGZVFWFLSA-N 1 3 305.422 0.935 20 0 DCADHO CN1CCN(C(=[NH2+])Nc2ccnc(N3CCOCC3)c2)CC1 ZINC001168736537 753986910 /nfs/dbraw/zinc/98/69/10/753986910.db2.gz OCUMKCUKRRVYHF-UHFFFAOYSA-N 1 3 304.398 0.512 20 0 DCADHO C[NH+]1CCN(c2nc3ccccc3nc2-n2cnc(CN)n2)CC1 ZINC001168750119 754135719 /nfs/dbraw/zinc/13/57/19/754135719.db2.gz QFMKCXWHOCRVGX-UHFFFAOYSA-N 1 3 324.392 0.421 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(CC)C1=O ZINC001128786753 754287793 /nfs/dbraw/zinc/28/77/93/754287793.db2.gz VOPVKFKLHHOWAM-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(CC)C1=O ZINC001128786753 754287798 /nfs/dbraw/zinc/28/77/98/754287798.db2.gz VOPVKFKLHHOWAM-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]([NH2+]Cc1cnns1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066795 754598959 /nfs/dbraw/zinc/59/89/59/754598959.db2.gz PZXYHVLFBHKTBV-CHWSQXEVSA-N 1 3 323.466 0.961 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864149 754986732 /nfs/dbraw/zinc/98/67/32/754986732.db2.gz FKLNYYJGMVKZCW-SOUVJXGZSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864149 754986734 /nfs/dbraw/zinc/98/67/34/754986734.db2.gz FKLNYYJGMVKZCW-SOUVJXGZSA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1)N(C)C ZINC001048888460 754999025 /nfs/dbraw/zinc/99/90/25/754999025.db2.gz PJLMRWJNRFHMPI-QLFBSQMISA-N 1 3 320.441 0.009 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1)N(C)C ZINC001048888460 754999026 /nfs/dbraw/zinc/99/90/26/754999026.db2.gz PJLMRWJNRFHMPI-QLFBSQMISA-N 1 3 320.441 0.009 20 0 DCADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001049037888 755086568 /nfs/dbraw/zinc/08/65/68/755086568.db2.gz BEOKVNBGEKWFLS-APIJFGDWSA-N 1 3 324.469 0.097 20 0 DCADHO COCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049058024 755095257 /nfs/dbraw/zinc/09/52/57/755095257.db2.gz VDXKTVRZNATJNY-GASCZTMLSA-N 1 3 309.454 0.755 20 0 DCADHO COCC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049058024 755095252 /nfs/dbraw/zinc/09/52/52/755095252.db2.gz VDXKTVRZNATJNY-GASCZTMLSA-N 1 3 309.454 0.755 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001049058079 755095314 /nfs/dbraw/zinc/09/53/14/755095314.db2.gz VUEHPJCMPRGMEK-BYNSBNAKSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001049058079 755095318 /nfs/dbraw/zinc/09/53/18/755095318.db2.gz VUEHPJCMPRGMEK-BYNSBNAKSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1)N(C)C ZINC001063101615 755105923 /nfs/dbraw/zinc/10/59/23/755105923.db2.gz WNJYQCGFKCRQKX-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1)N(C)C ZINC001063101615 755105927 /nfs/dbraw/zinc/10/59/27/755105927.db2.gz WNJYQCGFKCRQKX-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001168763642 755210711 /nfs/dbraw/zinc/21/07/11/755210711.db2.gz RCPOPWAFVVJNPN-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680923 755777632 /nfs/dbraw/zinc/77/76/32/755777632.db2.gz YIIOLPHUNFFPKK-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001054198222 756404055 /nfs/dbraw/zinc/40/40/55/756404055.db2.gz SLSKDVKPLOUSHZ-WBVHZDCISA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001054198222 756404058 /nfs/dbraw/zinc/40/40/58/756404058.db2.gz SLSKDVKPLOUSHZ-WBVHZDCISA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054734823 756620724 /nfs/dbraw/zinc/62/07/24/756620724.db2.gz GPLVOGQSCMTBJM-CABCVRRESA-N 1 3 319.453 0.804 20 0 DCADHO CO[C@@H]1CN(CC[C@H](C)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095788 756921421 /nfs/dbraw/zinc/92/14/21/756921421.db2.gz ISFGLQDBKSHGFL-NWANDNLSSA-N 1 3 315.433 0.892 20 0 DCADHO CO[C@@H]1CN(CCC2CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328674 757037897 /nfs/dbraw/zinc/03/78/97/757037897.db2.gz FREUDTJXWPREJG-HUUCEWRRSA-N 1 3 307.438 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1cnnn1C ZINC001082559419 757187028 /nfs/dbraw/zinc/18/70/28/757187028.db2.gz FDHGNIXXKGOQBO-KCPJHIHWSA-N 1 3 320.441 0.092 20 0 DCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001082743186 757253328 /nfs/dbraw/zinc/25/33/28/757253328.db2.gz MNYDZBVIJHBYBV-FRRDWIJNSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084088270 757668921 /nfs/dbraw/zinc/66/89/21/757668921.db2.gz YVNQXCGJBDPGGP-CVEARBPZSA-N 1 3 305.422 0.932 20 0 DCADHO CO[C@@H](C)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629260 757941761 /nfs/dbraw/zinc/94/17/61/757941761.db2.gz NIYDBRCGHSRRGN-NUEKZKHPSA-N 1 3 309.454 0.896 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3cncs3)C2)C1 ZINC001051932619 759045936 /nfs/dbraw/zinc/04/59/36/759045936.db2.gz UWEJMUKHGVYBIZ-QWHCGFSZSA-N 1 3 324.450 0.412 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3cncs3)C2)C1 ZINC001051932619 759045945 /nfs/dbraw/zinc/04/59/45/759045945.db2.gz UWEJMUKHGVYBIZ-QWHCGFSZSA-N 1 3 324.450 0.412 20 0 DCADHO CCCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117334 759189008 /nfs/dbraw/zinc/18/90/08/759189008.db2.gz KTMTVJKAYYUOMD-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117334 759189016 /nfs/dbraw/zinc/18/90/16/759189016.db2.gz KTMTVJKAYYUOMD-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886396 767863035 /nfs/dbraw/zinc/86/30/35/767863035.db2.gz WADUTQRAAICQRU-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886396 767863040 /nfs/dbraw/zinc/86/30/40/767863040.db2.gz WADUTQRAAICQRU-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001147878481 767872176 /nfs/dbraw/zinc/87/21/76/767872176.db2.gz ZZYFOXRNLVWZLK-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001147878481 767872184 /nfs/dbraw/zinc/87/21/84/767872184.db2.gz ZZYFOXRNLVWZLK-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900908 767880622 /nfs/dbraw/zinc/88/06/22/767880622.db2.gz YTAVUPUIJCZLLR-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900908 767880629 /nfs/dbraw/zinc/88/06/29/767880629.db2.gz YTAVUPUIJCZLLR-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086216895 759857158 /nfs/dbraw/zinc/85/71/58/759857158.db2.gz FOZBBUBALPZFJH-KBXIAJHMSA-N 1 3 324.469 0.608 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001086278621 759942642 /nfs/dbraw/zinc/94/26/42/759942642.db2.gz GBCCUUQPQMVKJW-BARDWOONSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C ZINC001067626220 760058698 /nfs/dbraw/zinc/05/86/98/760058698.db2.gz FVSUBDHCTOZSHF-UHFFFAOYSA-N 1 3 314.474 0.585 20 0 DCADHO COCCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124471 760437384 /nfs/dbraw/zinc/43/73/84/760437384.db2.gz ILBFNTFEIBNQLD-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO NCc1nnnn1-c1nc(Cl)nc2c1C[N@@H+](C1CC1)CC2 ZINC001168917047 760510737 /nfs/dbraw/zinc/51/07/37/760510737.db2.gz AOAJLVXMXLKPIC-UHFFFAOYSA-N 1 3 306.761 0.085 20 0 DCADHO NCc1nnnn1-c1nc(Cl)nc2c1C[N@H+](C1CC1)CC2 ZINC001168917047 760510741 /nfs/dbraw/zinc/51/07/41/760510741.db2.gz AOAJLVXMXLKPIC-UHFFFAOYSA-N 1 3 306.761 0.085 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148359931 767972787 /nfs/dbraw/zinc/97/27/87/767972787.db2.gz HJDDOKBKAOYCIY-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108783891 761049946 /nfs/dbraw/zinc/04/99/46/761049946.db2.gz GDJWZVFVBIYWHG-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)CCCC1 ZINC001109565723 761461383 /nfs/dbraw/zinc/46/13/83/761461383.db2.gz ZDTNJOCSBWHWOM-ILXRZTDVSA-N 1 3 309.454 0.965 20 0 DCADHO CCOC(=O)c1nnc(Cl)cc1NC(=N)NCCCC[NH3+] ZINC001157096370 761697274 /nfs/dbraw/zinc/69/72/74/761697274.db2.gz IAFPXDFFBCABKT-UHFFFAOYSA-N 1 3 314.777 0.982 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC[C@@H](N4CC=CC4)C3)[C@@H]2C1 ZINC001123801849 768059453 /nfs/dbraw/zinc/05/94/53/768059453.db2.gz HPNSXNDZGXQLTQ-JJXSEGSLSA-N 1 3 304.438 0.982 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC[C@@H](N4CC=CC4)C3)[C@@H]2C1 ZINC001123801849 768059459 /nfs/dbraw/zinc/05/94/59/768059459.db2.gz HPNSXNDZGXQLTQ-JJXSEGSLSA-N 1 3 304.438 0.982 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001071256284 761747197 /nfs/dbraw/zinc/74/71/97/761747197.db2.gz PYXZIMWZUHJTEY-ZBFHGGJFSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129410022 762930539 /nfs/dbraw/zinc/93/05/39/762930539.db2.gz BIBVQZQWVIMSKM-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129410022 762930544 /nfs/dbraw/zinc/93/05/44/762930544.db2.gz BIBVQZQWVIMSKM-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001129422099 762934146 /nfs/dbraw/zinc/93/41/46/762934146.db2.gz FMDDRQZOGDGMBS-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001129422099 762934151 /nfs/dbraw/zinc/93/41/51/762934151.db2.gz FMDDRQZOGDGMBS-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1)C1CC1 ZINC001129435148 762942475 /nfs/dbraw/zinc/94/24/75/762942475.db2.gz CDXZZUMLMKIBNN-HNNXBMFYSA-N 1 3 318.421 0.332 20 0 DCADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)N1CCCCCC1)C1CC1 ZINC001129436359 762942593 /nfs/dbraw/zinc/94/25/93/762942593.db2.gz OVVFBJGJJBBSJU-MRXNPFEDSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535062 762960566 /nfs/dbraw/zinc/96/05/66/762960566.db2.gz IFLBDKJCZNKLSH-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129855513 763025028 /nfs/dbraw/zinc/02/50/28/763025028.db2.gz GQQBSHJYKDVHFB-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129855513 763025034 /nfs/dbraw/zinc/02/50/34/763025034.db2.gz GQQBSHJYKDVHFB-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C)[NH+](C)C ZINC001129949374 763055456 /nfs/dbraw/zinc/05/54/56/763055456.db2.gz BWJBAGLGYKPVJT-KBPBESRZSA-N 1 3 314.474 0.534 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982364 768110222 /nfs/dbraw/zinc/11/02/22/768110222.db2.gz FHOOXINONCXAHG-XHSDSOJGSA-N 1 3 319.453 0.664 20 0 DCADHO Cn1cc(CNCCNC(=O)C23CCC[NH+](CCC2)C3)cn1 ZINC001130169252 763160261 /nfs/dbraw/zinc/16/02/61/763160261.db2.gz BYZPWQNJZBCOTQ-UHFFFAOYSA-N 1 3 305.426 0.502 20 0 DCADHO C[C@@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)NC1CC1 ZINC001130173254 763161971 /nfs/dbraw/zinc/16/19/71/763161971.db2.gz DVDKHNKWFHCRAT-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)c1cccc(OC)c1)N(C)C ZINC001130205360 763178283 /nfs/dbraw/zinc/17/82/83/763178283.db2.gz KFVDWFWLIVATPW-HZPDHXFCSA-N 1 3 323.437 0.775 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130418939 763305255 /nfs/dbraw/zinc/30/52/55/763305255.db2.gz DAJADUIUTRQULU-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130418939 763305263 /nfs/dbraw/zinc/30/52/63/763305263.db2.gz DAJADUIUTRQULU-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001130425399 763296819 /nfs/dbraw/zinc/29/68/19/763296819.db2.gz XTNZMVCUNFPDIV-JTQLQIEISA-N 1 3 313.364 0.736 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158080019 763479478 /nfs/dbraw/zinc/47/94/78/763479478.db2.gz WXCRQZMPZKTNNE-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100406947 763555568 /nfs/dbraw/zinc/55/55/68/763555568.db2.gz SGOJOYKOYLUBQX-PNESKVBLSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001100442772 763581975 /nfs/dbraw/zinc/58/19/75/763581975.db2.gz VBXDTOCLGQFWCE-ORHYLEIMSA-N 1 3 308.430 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1 ZINC001100676681 763717604 /nfs/dbraw/zinc/71/76/04/763717604.db2.gz RQLNRMNXWINEHE-HLIUYOAVSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCn3cccn3)C2)C1 ZINC001100678655 763718839 /nfs/dbraw/zinc/71/88/39/763718839.db2.gz SIYPQFVVDYJNEM-FHERZECASA-N 1 3 319.453 0.709 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCn3cncn3)C2)C1 ZINC001100678474 763719179 /nfs/dbraw/zinc/71/91/79/763719179.db2.gz MBQFZSCYXKLLSL-WLYUNCDWSA-N 1 3 320.441 0.104 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001100771026 763776689 /nfs/dbraw/zinc/77/66/89/763776689.db2.gz VCYOMQVEBMXOLW-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](Nc1ccc(OCC[NH+]2CCCC2)nn1)[C@H]1CNCCO1 ZINC001170562369 763828083 /nfs/dbraw/zinc/82/80/83/763828083.db2.gz ITPABEYIIXWLDZ-UONOGXRCSA-N 1 3 321.425 0.740 20 0 DCADHO COC(OC)c1c(C[NH3+])ccnc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170562347 763828778 /nfs/dbraw/zinc/82/87/78/763828778.db2.gz ILYJCEPVTNTBJM-CMPLNLGQSA-N 1 3 310.398 0.621 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039278 763932781 /nfs/dbraw/zinc/93/27/81/763932781.db2.gz DKJHHKWIYUDYLM-UHFFFAOYSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN[C@@H]2CCNC2=O)CCCCC1 ZINC001131799335 764036638 /nfs/dbraw/zinc/03/66/38/764036638.db2.gz NPHLGACBSHEWLX-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375240 764077328 /nfs/dbraw/zinc/07/73/28/764077328.db2.gz IREIRJUGYSVPJP-CPUCHLNUSA-N 1 3 320.437 0.894 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375240 764077338 /nfs/dbraw/zinc/07/73/38/764077338.db2.gz IREIRJUGYSVPJP-CPUCHLNUSA-N 1 3 320.437 0.894 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(CCOCCO)C1 ZINC001132410499 764447089 /nfs/dbraw/zinc/44/70/89/764447089.db2.gz MMSBGXSWTZBGSU-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(CCOCCO)C1 ZINC001132410499 764447094 /nfs/dbraw/zinc/44/70/94/764447094.db2.gz MMSBGXSWTZBGSU-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001132738150 764614520 /nfs/dbraw/zinc/61/45/20/764614520.db2.gz VYPZWVXFZLPCCA-HNNXBMFYSA-N 1 3 324.469 0.340 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001132738150 764614527 /nfs/dbraw/zinc/61/45/27/764614527.db2.gz VYPZWVXFZLPCCA-HNNXBMFYSA-N 1 3 324.469 0.340 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001102525369 764680594 /nfs/dbraw/zinc/68/05/94/764680594.db2.gz YYPJSISVYSDJAB-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001102525369 764680600 /nfs/dbraw/zinc/68/06/00/764680600.db2.gz YYPJSISVYSDJAB-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886239 764708041 /nfs/dbraw/zinc/70/80/41/764708041.db2.gz HOVYJNINPKBSAT-RDBSUJKOSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886239 764708045 /nfs/dbraw/zinc/70/80/45/764708045.db2.gz HOVYJNINPKBSAT-RDBSUJKOSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001132892255 764711911 /nfs/dbraw/zinc/71/19/11/764711911.db2.gz CWNVLIAULSTEKL-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599174 764717690 /nfs/dbraw/zinc/71/76/90/764717690.db2.gz SESDGMSXMHATPC-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132996971 764783730 /nfs/dbraw/zinc/78/37/30/764783730.db2.gz CERQGFHPVNYRDI-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040128 764797864 /nfs/dbraw/zinc/79/78/64/764797864.db2.gz CBZGSDKITOHHPN-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCOCCO ZINC001133135032 764839879 /nfs/dbraw/zinc/83/98/79/764839879.db2.gz KNFQUQTZNJLOOR-ZIAGYGMSSA-N 1 3 324.425 0.035 20 0 DCADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCOCCO ZINC001133135029 764840412 /nfs/dbraw/zinc/84/04/12/764840412.db2.gz KNFQUQTZNJLOOR-KBPBESRZSA-N 1 3 324.425 0.035 20 0 DCADHO C[NH+]1CCC(C(=O)NCCNCC(=O)N2CCCCCC2)CC1 ZINC001133286099 764907751 /nfs/dbraw/zinc/90/77/51/764907751.db2.gz WXHNTTLFXZMOIR-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294334 764911594 /nfs/dbraw/zinc/91/15/94/764911594.db2.gz CYNISOCMDVGIGF-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103309032 765017757 /nfs/dbraw/zinc/01/77/57/765017757.db2.gz NFLLCZVLKVCVME-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO COC[C@@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856758 765183082 /nfs/dbraw/zinc/18/30/82/765183082.db2.gz PZXVUKQZYUIMDT-IUODEOHRSA-N 1 3 303.422 0.940 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001133823645 765154410 /nfs/dbraw/zinc/15/44/10/765154410.db2.gz LDXVTWKDJGYJQE-NEPJUHHUSA-N 1 3 305.369 0.601 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001133845744 765178762 /nfs/dbraw/zinc/17/87/62/765178762.db2.gz MNXUIEXUJLANAQ-HOCLYGCPSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@@H](COCC(=O)NCCNC/C=C/Cl)[NH+]1CCCC1 ZINC001134020512 765289960 /nfs/dbraw/zinc/28/99/60/765289960.db2.gz CQGGWGTXHISQCV-IHVVCDCBSA-N 1 3 303.834 0.946 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001115156174 765611479 /nfs/dbraw/zinc/61/14/79/765611479.db2.gz JYFPNMZIUMEQMM-FOLVSLTJSA-N 1 3 320.441 0.056 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001115156174 765611481 /nfs/dbraw/zinc/61/14/81/765611481.db2.gz JYFPNMZIUMEQMM-FOLVSLTJSA-N 1 3 320.441 0.056 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001134762977 765658316 /nfs/dbraw/zinc/65/83/16/765658316.db2.gz JIXXMPHFYKZMFI-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001134762977 765658319 /nfs/dbraw/zinc/65/83/19/765658319.db2.gz JIXXMPHFYKZMFI-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21 ZINC001115304850 765686595 /nfs/dbraw/zinc/68/65/95/765686595.db2.gz VZIACQYSLFOLOT-QLPKVWCKSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21 ZINC001115304850 765686601 /nfs/dbraw/zinc/68/66/01/765686601.db2.gz VZIACQYSLFOLOT-QLPKVWCKSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866494 768316580 /nfs/dbraw/zinc/31/65/80/768316580.db2.gz DPGLJEMWPWPZIZ-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001135742917 766084764 /nfs/dbraw/zinc/08/47/64/766084764.db2.gz AVBKKQBLVOWTLL-QWHCGFSZSA-N 1 3 310.446 0.530 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC001117984743 766187354 /nfs/dbraw/zinc/18/73/54/766187354.db2.gz ALMUZRXJPRJYNL-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001135979271 766193880 /nfs/dbraw/zinc/19/38/80/766193880.db2.gz DHNKYVYGDKKMHT-UONOGXRCSA-N 1 3 303.447 0.210 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135980669 766193908 /nfs/dbraw/zinc/19/39/08/766193908.db2.gz RGMKDZHBILJAAR-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001135977549 766197601 /nfs/dbraw/zinc/19/76/01/766197601.db2.gz VKABGVDTPBCHQK-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001135976278 766197770 /nfs/dbraw/zinc/19/77/70/766197770.db2.gz IMKRQRXUBRTXFO-OLZOCXBDSA-N 1 3 310.446 0.530 20 0 DCADHO CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090642234 766411051 /nfs/dbraw/zinc/41/10/51/766411051.db2.gz VXGRKPWANMJPKJ-HOTGVXAUSA-N 1 3 305.422 0.933 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160433267 766708127 /nfs/dbraw/zinc/70/81/27/766708127.db2.gz KBQKMKFAHPKLMO-KBPBESRZSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cnnn3C)C2)CC[N@@H+]1C ZINC001091035553 766854549 /nfs/dbraw/zinc/85/45/49/766854549.db2.gz AYJKJXPHEYUBMJ-XZNOPERXSA-N 1 3 320.441 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cnnn3C)C2)CC[N@H+]1C ZINC001091035553 766854560 /nfs/dbraw/zinc/85/45/60/766854560.db2.gz AYJKJXPHEYUBMJ-XZNOPERXSA-N 1 3 320.441 0.140 20 0 DCADHO CCc1nocc1CNCCCNC(=O)COCC[NH+](C)C ZINC001171204484 767002442 /nfs/dbraw/zinc/00/24/42/767002442.db2.gz AUJFRJJWTTTXFP-UHFFFAOYSA-N 1 3 312.414 0.411 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120440459 767015776 /nfs/dbraw/zinc/01/57/76/767015776.db2.gz NJRPSHNQFZIODT-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120440459 767015787 /nfs/dbraw/zinc/01/57/87/767015787.db2.gz NJRPSHNQFZIODT-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171215899 767021332 /nfs/dbraw/zinc/02/13/32/767021332.db2.gz FYUVJXYWTNWPSL-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171215899 767021340 /nfs/dbraw/zinc/02/13/40/767021340.db2.gz FYUVJXYWTNWPSL-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001171235053 767085039 /nfs/dbraw/zinc/08/50/39/767085039.db2.gz CWHFMIMJAUETLG-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171247227 767238676 /nfs/dbraw/zinc/23/86/76/767238676.db2.gz JUIODCKLQMJVSJ-DOMZBBRYSA-N 1 3 312.458 0.337 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)N2CCOC[C@@H]2C[NH+](C)C)c1 ZINC001144935071 767261413 /nfs/dbraw/zinc/26/14/13/767261413.db2.gz AFTNIDJRJRYQGS-GOEBONIOSA-N 1 3 321.421 0.354 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001146594126 767486013 /nfs/dbraw/zinc/48/60/13/767486013.db2.gz RGBCQXMYVRJORT-CHWSQXEVSA-N 1 3 321.487 0.244 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001146603680 767488167 /nfs/dbraw/zinc/48/81/67/767488167.db2.gz YLGWBMRIYJWOCZ-KGLIPLIRSA-N 1 3 310.446 0.491 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001146719263 767510739 /nfs/dbraw/zinc/51/07/39/767510739.db2.gz NLJWSDHMDWKOJQ-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001146719263 767510744 /nfs/dbraw/zinc/51/07/44/767510744.db2.gz NLJWSDHMDWKOJQ-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC001122243007 767749761 /nfs/dbraw/zinc/74/97/61/767749761.db2.gz VPBIKXHNLDGOQS-MPXNVAGNSA-N 1 3 310.442 0.217 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203103254 768571958 /nfs/dbraw/zinc/57/19/58/768571958.db2.gz KRSGKMLPUMWHOH-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+](C)CC(=O)N[C@@H]1CCCN(Cc2ccc3nccn3c2)C1 ZINC001143035181 768681573 /nfs/dbraw/zinc/68/15/73/768681573.db2.gz GRMMZUPPKBNSPR-OAHLLOKOSA-N 1 3 315.421 0.977 20 0 DCADHO CN1CCN(CCC(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001143231309 768697817 /nfs/dbraw/zinc/69/78/17/768697817.db2.gz TUFCLGJPNGJHLD-CYBMUJFWSA-N 1 3 318.425 0.065 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001161227286 768701569 /nfs/dbraw/zinc/70/15/69/768701569.db2.gz WQWIDWMZFZOBST-UHFFFAOYSA-N 1 3 321.487 0.247 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1)N(C)C ZINC001094049056 768833754 /nfs/dbraw/zinc/83/37/54/768833754.db2.gz BOAINGGVNXVJBG-FMKPAKJESA-N 1 3 321.469 0.944 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149841899 768878942 /nfs/dbraw/zinc/87/89/42/768878942.db2.gz LZRASTUXGAQWEO-LSDHHAIUSA-N 1 3 313.442 0.180 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCCC(C)(C)C)C1 ZINC001151049460 769245634 /nfs/dbraw/zinc/24/56/34/769245634.db2.gz PQLVKRRNMICCLN-CYBMUJFWSA-N 1 3 312.458 0.196 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCCC(C)(C)C)C1 ZINC001151049460 769245637 /nfs/dbraw/zinc/24/56/37/769245637.db2.gz PQLVKRRNMICCLN-CYBMUJFWSA-N 1 3 312.458 0.196 20 0 DCADHO CNC(=O)c1ccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001151049540 769246338 /nfs/dbraw/zinc/24/63/38/769246338.db2.gz RNKOGHQZPIKBHN-OAHLLOKOSA-N 1 3 318.421 0.204 20 0 DCADHO CNC(=O)c1ccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001151049540 769246347 /nfs/dbraw/zinc/24/63/47/769246347.db2.gz RNKOGHQZPIKBHN-OAHLLOKOSA-N 1 3 318.421 0.204 20 0 DCADHO CC[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065507 769249814 /nfs/dbraw/zinc/24/98/14/769249814.db2.gz KMVROOHSGRXDTA-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065507 769249817 /nfs/dbraw/zinc/24/98/17/769249817.db2.gz KMVROOHSGRXDTA-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172003231 769408386 /nfs/dbraw/zinc/40/83/86/769408386.db2.gz UQNSKOZBSAIESP-OAHLLOKOSA-N 1 3 308.470 0.755 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152138388 769489533 /nfs/dbraw/zinc/48/95/33/769489533.db2.gz WQNPBOYXHOALHS-STQMWFEESA-N 1 3 307.442 0.807 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001152147395 769491511 /nfs/dbraw/zinc/49/15/11/769491511.db2.gz MUIZJMWIRMIDMQ-GASCZTMLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001152393137 769546420 /nfs/dbraw/zinc/54/64/20/769546420.db2.gz DBCOZRMWPFQWAD-OAHLLOKOSA-N 1 3 318.421 0.346 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001152457372 769564725 /nfs/dbraw/zinc/56/47/25/769564725.db2.gz CRPDASQYFJLCOK-OAHLLOKOSA-N 1 3 307.442 0.543 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001174681680 769777279 /nfs/dbraw/zinc/77/72/79/769777279.db2.gz ABTBHELFRWIGFC-JTQLQIEISA-N 1 3 322.331 0.670 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001174691413 769779684 /nfs/dbraw/zinc/77/96/84/769779684.db2.gz KYWDUEVSNUHLPE-XJKSGUPXSA-N 1 3 306.410 0.783 20 0 DCADHO C[C@H](NCCNC(=O)CCCC[NH+]1CCCC1)C(=O)NC1CC1 ZINC001153310012 769779629 /nfs/dbraw/zinc/77/96/29/769779629.db2.gz XFQFKNOMGJEAPG-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H]([NH3+])CN1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001235586091 769900691 /nfs/dbraw/zinc/90/06/91/769900691.db2.gz ZRXSLUYLLLIEBZ-BRWVUGGUSA-N 1 3 310.486 0.595 20 0 DCADHO [NH3+]CCCCN1C[C@H](NC(=O)c2ccno2)[C@@H]2OCCC[C@@H]21 ZINC001235589497 769903740 /nfs/dbraw/zinc/90/37/40/769903740.db2.gz QIRJZQBMCVSDCL-OBJOEFQTSA-N 1 3 308.382 0.375 20 0 DCADHO [NH3+]CCCCN1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001235615589 769912281 /nfs/dbraw/zinc/91/22/81/769912281.db2.gz NAIYRWZJIWWYKW-UBHSHLNASA-N 1 3 324.450 0.844 20 0 DCADHO COC(=O)[C@H]1CN(C[C@@H]2[C@H](C)CNCC2(F)F)CC[C@@H]1[NH3+] ZINC001236411686 770010378 /nfs/dbraw/zinc/01/03/78/770010378.db2.gz PHJYESNWQXJLOF-KXNHARMFSA-N 1 3 305.369 0.299 20 0 DCADHO COCCCN(Cc1nc2c(s1)CNCC2)[C@@H]1CC[NH2+]C1 ZINC001236945196 770026537 /nfs/dbraw/zinc/02/65/37/770026537.db2.gz FTDYVQDGGBSSGA-GFCCVEGCSA-N 1 3 310.467 0.989 20 0 DCADHO FC(F)(F)[C@H]1CNCCN1Cc1cnc2n1CC[NH2+]CC2 ZINC001236976114 770028065 /nfs/dbraw/zinc/02/80/65/770028065.db2.gz MZGAKXTWJQBWRT-LLVKDONJSA-N 1 3 303.332 0.365 20 0 DCADHO COc1cccc(C2(NS(=O)(=O)CCN)CC[NH2+]CC2)c1 ZINC001238851033 770136722 /nfs/dbraw/zinc/13/67/22/770136722.db2.gz WMYFPGZZNNCIAS-UHFFFAOYSA-N 1 3 313.423 0.152 20 0 DCADHO [NH3+]CCCC[NH2+]CCC[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001238880021 770141284 /nfs/dbraw/zinc/14/12/84/770141284.db2.gz SWGQUENJVBPULO-UHFFFAOYSA-N 1 3 321.834 0.127 20 0 DCADHO Cc1ccc(F)cc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879985 770141558 /nfs/dbraw/zinc/14/15/58/770141558.db2.gz ZNMPJNGKZGBYQA-UHFFFAOYSA-N 1 3 303.403 0.741 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753301 770167916 /nfs/dbraw/zinc/16/79/16/770167916.db2.gz FOHMMZLHNDOSPX-KGLIPLIRSA-N 1 3 314.474 0.726 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001176760337 770168538 /nfs/dbraw/zinc/16/85/38/770168538.db2.gz VHTSBRBQKISFII-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890119 770211566 /nfs/dbraw/zinc/21/15/66/770211566.db2.gz NBSCUJMNTXCLNJ-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001155821992 770629341 /nfs/dbraw/zinc/62/93/41/770629341.db2.gz FZVMHNFMRPMYBM-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409648 771007269 /nfs/dbraw/zinc/00/72/69/771007269.db2.gz PSWMHYWQUKBVEG-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409648 771007278 /nfs/dbraw/zinc/00/72/78/771007278.db2.gz PSWMHYWQUKBVEG-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001179763392 771013440 /nfs/dbraw/zinc/01/34/40/771013440.db2.gz KVMLBOGEGUOKHQ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)[C@@H]1C ZINC001179763686 771013599 /nfs/dbraw/zinc/01/35/99/771013599.db2.gz OQCOPPXUYNJWLI-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C ZINC001179983191 771043857 /nfs/dbraw/zinc/04/38/57/771043857.db2.gz NRMWVNIFANJIJB-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131584 771061123 /nfs/dbraw/zinc/06/11/23/771061123.db2.gz HHHQYJAWBNEXEV-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCCOc1ccc(CN2C[C@H](CO)[C@H](O)C2)cc1 ZINC001204263900 771081853 /nfs/dbraw/zinc/08/18/53/771081853.db2.gz PBYLXBNBZIMXPP-NVXWUHKLSA-N 1 3 308.422 0.802 20 0 DCADHO COC[C@H](O)C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369411 771114044 /nfs/dbraw/zinc/11/40/44/771114044.db2.gz DKPVAVCMMSTLQU-OAHLLOKOSA-N 1 3 317.474 0.600 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623635 771515431 /nfs/dbraw/zinc/51/54/31/771515431.db2.gz QUBGYJSQBUOKQZ-HUUCEWRRSA-N 1 3 322.453 0.043 20 0 DCADHO CNC(=O)C1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001157494803 771620378 /nfs/dbraw/zinc/62/03/78/771620378.db2.gz AUBATICWHZHZCI-AWEZNQCLSA-N 1 3 312.458 0.467 20 0 DCADHO CN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)[C@@H](c2ccccc2)C1 ZINC001157496590 771621134 /nfs/dbraw/zinc/62/11/34/771621134.db2.gz ZDMCETFDOJHZHL-KONPQCLYSA-N 1 3 314.433 0.724 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229383 771622361 /nfs/dbraw/zinc/62/23/61/771622361.db2.gz JLBGMFJFLFORIZ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157593774 771638702 /nfs/dbraw/zinc/63/87/02/771638702.db2.gz WVIPADHCDWWLAO-NEPJUHHUSA-N 1 3 315.414 0.995 20 0 DCADHO [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2CNCc3ccnn3C2)CC1 ZINC001157729845 771660108 /nfs/dbraw/zinc/66/01/08/771660108.db2.gz IGYWQZJGQSZPLF-SWLSCSKDSA-N 1 3 309.389 0.282 20 0 DCADHO O=C([C@H]1CNCc2ccnn2C1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160834 771731613 /nfs/dbraw/zinc/73/16/13/771731613.db2.gz MTAZXARAHPTTFT-BBRMVZONSA-N 1 3 303.410 0.347 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161222 771731747 /nfs/dbraw/zinc/73/17/47/771731747.db2.gz NWCPZNWQHHESKB-HEHGZKQESA-N 1 3 308.426 0.069 20 0 DCADHO N[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCc2cc(F)ccc2C1 ZINC001158185678 771736500 /nfs/dbraw/zinc/73/65/00/771736500.db2.gz ACWWGCPJHFMJGF-XCKKERBNSA-N 1 3 303.381 0.962 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197223 771738888 /nfs/dbraw/zinc/73/88/88/771738888.db2.gz TZRATVDLGXAJAM-OAHLLOKOSA-N 1 3 317.437 0.723 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197303 771739205 /nfs/dbraw/zinc/73/92/05/771739205.db2.gz WIZUNOYHWATAOZ-OAHLLOKOSA-N 1 3 320.441 0.236 20 0 DCADHO Nc1cccc(CN2CCN(c3ncc4c(n3)C[NH2+]C4)CC2)c1 ZINC001158481214 771781046 /nfs/dbraw/zinc/78/10/46/771781046.db2.gz YTGRAJMUDSLBQM-UHFFFAOYSA-N 1 3 310.405 0.984 20 0 DCADHO Nc1cccc(C[NH+]2CCN(c3ncc4c(n3)CNC4)CC2)c1 ZINC001158481214 771781049 /nfs/dbraw/zinc/78/10/49/771781049.db2.gz YTGRAJMUDSLBQM-UHFFFAOYSA-N 1 3 310.405 0.984 20 0 DCADHO [NH3+]C1([C@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@@H]2CF)CC1 ZINC001158582356 771792728 /nfs/dbraw/zinc/79/27/28/771792728.db2.gz LWOWMWFNZZHSER-ONGXEEELSA-N 1 3 307.373 0.204 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNCc1ccn(C)n1 ZINC001185073992 771864001 /nfs/dbraw/zinc/86/40/01/771864001.db2.gz WOTUNLXRWCKGAW-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185170126 771872860 /nfs/dbraw/zinc/87/28/60/771872860.db2.gz NXQXEYDKGJRPTB-ZIAGYGMSSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185156885 771877955 /nfs/dbraw/zinc/87/79/55/771877955.db2.gz CYWGCMAAWOKZKB-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185156885 771877960 /nfs/dbraw/zinc/87/79/60/771877960.db2.gz CYWGCMAAWOKZKB-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CCCC[C@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185214252 771880769 /nfs/dbraw/zinc/88/07/69/771880769.db2.gz RVQZSVXOJTZCFM-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185221160 771880810 /nfs/dbraw/zinc/88/08/10/771880810.db2.gz HLSONKBJCMPKJJ-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230433 771882482 /nfs/dbraw/zinc/88/24/82/771882482.db2.gz RZUKVKSPVUKFOF-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001185249237 771888611 /nfs/dbraw/zinc/88/86/11/771888611.db2.gz SDNBMVXXBIDKEJ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNCc1ccn(C)n1 ZINC001159327262 771896427 /nfs/dbraw/zinc/89/64/27/771896427.db2.gz COASKPLNVLFDKP-OAHLLOKOSA-N 1 3 307.442 0.890 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCNCc1ccn(C)n1 ZINC001159327262 771896432 /nfs/dbraw/zinc/89/64/32/771896432.db2.gz COASKPLNVLFDKP-OAHLLOKOSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@@H](Nc1ccc(OC2CC[NH2+]CC2)nn1)[C@H]1CNCCO1 ZINC001159502761 771921201 /nfs/dbraw/zinc/92/12/01/771921201.db2.gz OMXXXMWAIVWSHY-DGCLKSJQSA-N 1 3 307.398 0.396 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650297 771939218 /nfs/dbraw/zinc/93/92/18/771939218.db2.gz FOCNWWWNYWHDPY-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650297 771939222 /nfs/dbraw/zinc/93/92/22/771939222.db2.gz FOCNWWWNYWHDPY-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N(C)C3CC3)C2)C1 ZINC001185659555 771941361 /nfs/dbraw/zinc/94/13/61/771941361.db2.gz KCBUHCAHNHZIPL-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N(C)C3CC3)C2)C1 ZINC001185659555 771941364 /nfs/dbraw/zinc/94/13/64/771941364.db2.gz KCBUHCAHNHZIPL-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001185716587 771948372 /nfs/dbraw/zinc/94/83/72/771948372.db2.gz ZTGALQGZFWWDJV-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185762658 771953133 /nfs/dbraw/zinc/95/31/33/771953133.db2.gz OOVLKTFQEIEYKX-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO N[C@H](CCC[NH3+])NC(F)(F)c1nc2[nH]cnc2c(Cl)n1 ZINC001159786495 771958211 /nfs/dbraw/zinc/95/82/11/771958211.db2.gz BMEMUTMRIPVWSS-YFKPBYRVSA-N 1 3 305.720 0.621 20 0 DCADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001159863328 771969760 /nfs/dbraw/zinc/96/97/60/771969760.db2.gz RWJDMWCCDZIVDX-KGLIPLIRSA-N 1 3 322.453 0.030 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1ccon1)C1CC1 ZINC001159931586 771979846 /nfs/dbraw/zinc/97/98/46/771979846.db2.gz FVTFSLMKJJRENQ-CQSZACIVSA-N 1 3 323.397 0.049 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)C1=O ZINC001159931490 771980285 /nfs/dbraw/zinc/98/02/85/771980285.db2.gz DVURCYQZWIRFLA-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001160292015 772020197 /nfs/dbraw/zinc/02/01/97/772020197.db2.gz KKUOLYHCVQDPHW-OAHLLOKOSA-N 1 3 315.433 0.797 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160292015 772020201 /nfs/dbraw/zinc/02/02/01/772020201.db2.gz KKUOLYHCVQDPHW-OAHLLOKOSA-N 1 3 315.433 0.797 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(C)(C)C ZINC001160420533 772035129 /nfs/dbraw/zinc/03/51/29/772035129.db2.gz GFBKWWHVQVFAPD-STQMWFEESA-N 1 3 312.458 0.691 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001160427844 772037190 /nfs/dbraw/zinc/03/71/90/772037190.db2.gz VMMFBYOFTWVNLE-HIFRSBDPSA-N 1 3 322.457 0.448 20 0 DCADHO Cc1nc([C@@H]2CCCCN2C(=O)[C@@H](N)C2CC[NH2+]CC2)no1 ZINC001160548364 772062853 /nfs/dbraw/zinc/06/28/53/772062853.db2.gz DSQVFLRVYMVSJV-STQMWFEESA-N 1 3 307.398 0.759 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC001160754894 772106463 /nfs/dbraw/zinc/10/64/63/772106463.db2.gz OPCMAWUPYWEQJW-GJZGRUSLSA-N 1 3 307.394 0.359 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H](N)Cc1cccc(O)c1 ZINC001160837092 772118755 /nfs/dbraw/zinc/11/87/55/772118755.db2.gz BGZRHJSSFZNFBL-HIFRSBDPSA-N 1 3 307.394 0.051 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187107164 772131276 /nfs/dbraw/zinc/13/12/76/772131276.db2.gz WFULSHITJZZUII-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187107164 772131278 /nfs/dbraw/zinc/13/12/78/772131278.db2.gz WFULSHITJZZUII-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCNC(=O)NC(C)C)N(C)C ZINC001160890132 772133600 /nfs/dbraw/zinc/13/36/00/772133600.db2.gz VXKIJZQPCGEQKN-CYBMUJFWSA-N 1 3 315.462 0.130 20 0 DCADHO N[C@H](Cc1cccc(O)c1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915811 772137162 /nfs/dbraw/zinc/13/71/62/772137162.db2.gz NGJLQWGBHFXGPQ-CQSZACIVSA-N 1 3 313.361 0.057 20 0 DCADHO O=C(c1cncc2c1CCNC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161010382 772149228 /nfs/dbraw/zinc/14/92/28/772149228.db2.gz HMMMQHMTVVYDBK-OAHLLOKOSA-N 1 3 316.405 0.056 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001187276633 772159068 /nfs/dbraw/zinc/15/90/68/772159068.db2.gz QFCRDUZNBLJOHP-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001187276633 772159071 /nfs/dbraw/zinc/15/90/71/772159071.db2.gz QFCRDUZNBLJOHP-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001187284338 772160801 /nfs/dbraw/zinc/16/08/01/772160801.db2.gz PWBAIKCFMVVWDV-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161082351 772163605 /nfs/dbraw/zinc/16/36/05/772163605.db2.gz NPJZEUJEPZMJFP-ABHRYQDASA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161082351 772163607 /nfs/dbraw/zinc/16/36/07/772163607.db2.gz NPJZEUJEPZMJFP-ABHRYQDASA-N 1 3 310.442 0.029 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)C2CC2)C1 ZINC001187328462 772166838 /nfs/dbraw/zinc/16/68/38/772166838.db2.gz GUTFJVZTUZHGRB-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCC(=O)NCCC1=CCN(CCn2cncn2)CC1 ZINC001161107036 772170784 /nfs/dbraw/zinc/17/07/84/772170784.db2.gz WEPCAOWMBLGPTK-UHFFFAOYSA-N 1 3 320.441 0.368 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001187306179 772171913 /nfs/dbraw/zinc/17/19/13/772171913.db2.gz FJLXJKKWOXBTGD-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CCN(C)C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)Cc1ccccc1 ZINC001161161443 772178866 /nfs/dbraw/zinc/17/88/66/772178866.db2.gz TVOXODHOIOSICD-WMZOPIPTSA-N 1 3 316.449 0.528 20 0 DCADHO CCC[NH+]1C[C@@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]2C1 ZINC001161174754 772180977 /nfs/dbraw/zinc/18/09/77/772180977.db2.gz DWLUWHWFEZYGKP-KFWWJZLASA-N 1 3 322.453 0.126 20 0 DCADHO NC1(C(=O)N(CCCN2CCOCC2)CC2CC[NH2+]CC2)CC1 ZINC001161196514 772182981 /nfs/dbraw/zinc/18/29/81/772182981.db2.gz KRZCXDKSNZGEAU-UHFFFAOYSA-N 1 3 324.469 0.028 20 0 DCADHO CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1CCC2(C1)OCCO2 ZINC001161219442 772185570 /nfs/dbraw/zinc/18/55/70/772185570.db2.gz QQHNWWMTSSQZDH-KGLIPLIRSA-N 1 3 323.437 0.615 20 0 DCADHO CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CCC2(C1)OCCO2 ZINC001161219442 772185572 /nfs/dbraw/zinc/18/55/72/772185572.db2.gz QQHNWWMTSSQZDH-KGLIPLIRSA-N 1 3 323.437 0.615 20 0 DCADHO COC(=O)c1ccc(C2CN(C(=O)[C@@H](N)CCCC[NH3+])C2)cc1 ZINC001161221111 772186310 /nfs/dbraw/zinc/18/63/10/772186310.db2.gz JSRKZVCRUKRYIY-HNNXBMFYSA-N 1 3 319.405 0.855 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CC[C@H](C(F)(F)F)CN2)CC12COC2 ZINC001161508370 772236878 /nfs/dbraw/zinc/23/68/78/772236878.db2.gz FBCOLCJCCAEBDD-IVZWLZJFSA-N 1 3 307.316 0.103 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)N(C)C ZINC001188100472 772266561 /nfs/dbraw/zinc/26/65/61/772266561.db2.gz TZQUGSVMBRCJJC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106849 772266944 /nfs/dbraw/zinc/26/69/44/772266944.db2.gz ZFOGNDNKCWKWPR-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001188139120 772271317 /nfs/dbraw/zinc/27/13/17/772271317.db2.gz IJWPGKLBWBVTKU-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001188158554 772276906 /nfs/dbraw/zinc/27/69/06/772276906.db2.gz SWBXHWYKNSLLFK-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001188158293 772277053 /nfs/dbraw/zinc/27/70/53/772277053.db2.gz KIJJZBXSIZQIKL-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)c1ccc(C[NH3+])n1-c1nc(Cl)nc2c1CCNC2 ZINC001161935028 772302782 /nfs/dbraw/zinc/30/27/82/772302782.db2.gz LXHZNWYLMJAJOV-UHFFFAOYSA-N 1 3 321.768 0.812 20 0 DCADHO CN(CCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21)c1cc[nH+]cc1 ZINC001188405144 772305270 /nfs/dbraw/zinc/30/52/70/772305270.db2.gz AUZDYTYAJVTSPW-GOEBONIOSA-N 1 3 318.421 0.433 20 0 DCADHO O=C(NCCC[NH2+]C/C=C/Cl)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872395 772427545 /nfs/dbraw/zinc/42/75/45/772427545.db2.gz QHZQSYFJRSOMLX-UKCSNIIMSA-N 1 3 313.829 0.698 20 0 DCADHO CC[C@@H](C(=O)N(CC[NH2+]CCO)CCc1ccccc1)N(C)C ZINC001162935151 772433299 /nfs/dbraw/zinc/43/32/99/772433299.db2.gz QXXLIFPLUNIOTJ-KRWDZBQOSA-N 1 3 321.465 0.980 20 0 DCADHO C[C@H](O)C[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679869 772435877 /nfs/dbraw/zinc/43/58/77/772435877.db2.gz SNCUVDALTIYPLP-HNNXBMFYSA-N 1 3 311.470 0.927 20 0 DCADHO CC[NH+](CC)CCNC(=N)Nc1ncnc(C(=O)OC)c1OC ZINC001163129017 772468951 /nfs/dbraw/zinc/46/89/51/772468951.db2.gz FINXVPHJEQWMQL-UHFFFAOYSA-N 1 3 324.385 0.550 20 0 DCADHO CC1([NH+]2CCOCC2)CCN(c2ncc3c(n2)CNC3)CC1 ZINC001165135208 772699663 /nfs/dbraw/zinc/69/96/63/772699663.db2.gz SRMREVBMQCHXSV-UHFFFAOYSA-N 1 3 303.410 0.771 20 0 DCADHO COC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c12 ZINC001165270436 772713780 /nfs/dbraw/zinc/71/37/80/772713780.db2.gz FJCARAUPTNSWRO-QWRGUYRKSA-N 1 3 317.349 0.312 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001166626888 772830233 /nfs/dbraw/zinc/83/02/33/772830233.db2.gz LOACGIQUVWDASL-KBPBESRZSA-N 1 3 320.441 0.346 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001166627442 772831220 /nfs/dbraw/zinc/83/12/20/772831220.db2.gz VTWHIHZPNWFYLY-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001166633842 772832337 /nfs/dbraw/zinc/83/23/37/772832337.db2.gz KPSMVMZIKQESRR-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001166668087 772836912 /nfs/dbraw/zinc/83/69/12/772836912.db2.gz QKWNDKHOPORPOP-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001166668087 772836916 /nfs/dbraw/zinc/83/69/16/772836916.db2.gz QKWNDKHOPORPOP-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667839 772837540 /nfs/dbraw/zinc/83/75/40/772837540.db2.gz JGTYXMFUNBKVFA-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)CN2CC[C@H](C)C2)C1=O ZINC001166678862 772840595 /nfs/dbraw/zinc/84/05/95/772840595.db2.gz WZFKPZMEKBSGIP-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C1CC1 ZINC001166744197 772855106 /nfs/dbraw/zinc/85/51/06/772855106.db2.gz LSOGNQMYLGOCHS-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)CC(C)(C)C ZINC001166744258 772855432 /nfs/dbraw/zinc/85/54/32/772855432.db2.gz NZLGBTXXIWQWDY-UHFFFAOYSA-N 1 3 321.487 0.105 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001166758159 772856641 /nfs/dbraw/zinc/85/66/41/772856641.db2.gz FLHZWERPSYQEFI-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851497 772870530 /nfs/dbraw/zinc/87/05/30/772870530.db2.gz BSORDLVTOBLCEH-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152771 772875955 /nfs/dbraw/zinc/87/59/55/772875955.db2.gz JFESKLHPZRKFKU-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO NCc1cc(-n2ncc3cc(N4CC[NH2+]CC4)ccc32)ncn1 ZINC001167018286 772899153 /nfs/dbraw/zinc/89/91/53/772899153.db2.gz GTYOIUULAGTUIV-UHFFFAOYSA-N 1 3 309.377 0.684 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203640659 772917579 /nfs/dbraw/zinc/91/75/79/772917579.db2.gz GFSDOHZQINJBLO-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714462 772920626 /nfs/dbraw/zinc/92/06/26/772920626.db2.gz LQKQPWFDMISDAY-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCn2cccn2)CC1 ZINC001204797831 772962707 /nfs/dbraw/zinc/96/27/07/772962707.db2.gz CIAMSRCFOYXLGX-INIZCTEOSA-N 1 3 319.453 0.806 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204799538 772963087 /nfs/dbraw/zinc/96/30/87/772963087.db2.gz ZVHHYFZMZMULIA-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC(=O)N(C)C)CC1 ZINC001206275005 773061678 /nfs/dbraw/zinc/06/16/78/773061678.db2.gz NTBLHSANUDEDON-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208014154 773372668 /nfs/dbraw/zinc/37/26/68/773372668.db2.gz NAVPYFGWVUPZTH-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208014154 773372675 /nfs/dbraw/zinc/37/26/75/773372675.db2.gz NAVPYFGWVUPZTH-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070824 773394169 /nfs/dbraw/zinc/39/41/69/773394169.db2.gz SFGOUSQQXFAZIO-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070824 773394177 /nfs/dbraw/zinc/39/41/77/773394177.db2.gz SFGOUSQQXFAZIO-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+]1CCC(C)(CN2CCN(CCN3CCOCC3)CC2)CC1 ZINC001208107163 773400564 /nfs/dbraw/zinc/40/05/64/773400564.db2.gz PGDSNSQNZGARAC-UHFFFAOYSA-N 1 3 324.513 0.668 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331046 773436078 /nfs/dbraw/zinc/43/60/78/773436078.db2.gz JVPPUEXWPWRUDB-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331046 773436079 /nfs/dbraw/zinc/43/60/79/773436079.db2.gz JVPPUEXWPWRUDB-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335369 773437016 /nfs/dbraw/zinc/43/70/16/773437016.db2.gz SPEZBJSRIMGKBK-GOEBONIOSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453172 773465830 /nfs/dbraw/zinc/46/58/30/773465830.db2.gz BLHUWUBDOYAHNW-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453172 773465833 /nfs/dbraw/zinc/46/58/33/773465833.db2.gz BLHUWUBDOYAHNW-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209316176 773591405 /nfs/dbraw/zinc/59/14/05/773591405.db2.gz YJKBTNGWJJHZIW-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001209445038 773605487 /nfs/dbraw/zinc/60/54/87/773605487.db2.gz JWUPELJVMPNVHE-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001209670305 773632675 /nfs/dbraw/zinc/63/26/75/773632675.db2.gz YATKXJUIQVJMQV-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001210218876 773685883 /nfs/dbraw/zinc/68/58/83/773685883.db2.gz QRGURQRRVYJNFV-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674369 773728779 /nfs/dbraw/zinc/72/87/79/773728779.db2.gz UKLNAPPDQKYWSW-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674369 773728785 /nfs/dbraw/zinc/72/87/85/773728785.db2.gz UKLNAPPDQKYWSW-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320300 773729202 /nfs/dbraw/zinc/72/92/02/773729202.db2.gz WJNCULYFCDCDBK-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N(C)C ZINC001210685065 773730884 /nfs/dbraw/zinc/73/08/84/773730884.db2.gz MCULDCGVWXIRNX-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210745173 773734532 /nfs/dbraw/zinc/73/45/32/773734532.db2.gz YZPGJRWLXWBZFH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001210774506 773736620 /nfs/dbraw/zinc/73/66/20/773736620.db2.gz VGVVZPFTFKEKJV-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001210774506 773736622 /nfs/dbraw/zinc/73/66/22/773736622.db2.gz VGVVZPFTFKEKJV-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001210811199 773741925 /nfs/dbraw/zinc/74/19/25/773741925.db2.gz LBEVZKIPMUCBRM-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211124936 773773101 /nfs/dbraw/zinc/77/31/01/773773101.db2.gz AEZYWWQNSIAPTL-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001211282413 773789753 /nfs/dbraw/zinc/78/97/53/773789753.db2.gz AHYVQUOFDZLSGX-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378232 773839765 /nfs/dbraw/zinc/83/97/65/773839765.db2.gz IEIGHFFSAOURMF-RRFJBIMHSA-N 1 3 313.442 0.323 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccn(CC2CC2)c(=O)c1 ZINC001198780893 773978930 /nfs/dbraw/zinc/97/89/30/773978930.db2.gz SFHXHLKCNADNQL-UHFFFAOYSA-N 1 3 305.382 0.333 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847793 774018609 /nfs/dbraw/zinc/01/86/09/774018609.db2.gz SRSKYNDIKJUTOC-FRRDWIJNSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001214953033 774028224 /nfs/dbraw/zinc/02/82/24/774028224.db2.gz XNAOUUCTBJAVHG-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO N#Cc1ccc([C@@H](O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000402126532 774076198 /nfs/dbraw/zinc/07/61/98/774076198.db2.gz DVFNSVMOJHLYMK-SJORKVTESA-N 1 3 300.406 0.571 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215540640 774081427 /nfs/dbraw/zinc/08/14/27/774081427.db2.gz OOYFAILOBVDRHY-GZBFAFLISA-N 1 3 322.453 0.043 20 0 DCADHO F[C@H]1C[NH2+]CCC[C@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001217945518 774207380 /nfs/dbraw/zinc/20/73/80/774207380.db2.gz DJBDJOVQZSUZAI-WCQYABFASA-N 1 3 305.357 0.844 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1Oc1cc(C[C@H](N)C(=O)N(C)C)ccc1O ZINC001217966579 774207709 /nfs/dbraw/zinc/20/77/09/774207709.db2.gz ADPSJISEIHKDGT-GMXABZIVSA-N 1 3 307.394 0.337 20 0 DCADHO Cc1noc2nc(OC[C@H]3C[NH2+]CCCO3)c3c(c12)CCNC3 ZINC001218300995 774220081 /nfs/dbraw/zinc/22/00/81/774220081.db2.gz UWEMICHMZHGYCT-LLVKDONJSA-N 1 3 318.377 0.934 20 0 DCADHO COC(=O)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218510308 774231944 /nfs/dbraw/zinc/23/19/44/774231944.db2.gz SUZQLNFNPVSLOK-MEBBXXQBSA-N 1 3 304.350 0.006 20 0 DCADHO N[C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C1CCC(O)CC1 ZINC001218531830 774239227 /nfs/dbraw/zinc/23/92/27/774239227.db2.gz BHLPMQYFNIYJRW-CGESOROHSA-N 1 3 324.450 0.776 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1nc(Cl)c(Cl)nc1CO ZINC001218654411 774273835 /nfs/dbraw/zinc/27/38/35/774273835.db2.gz KKEQKSMYMJLZPX-YFKPBYRVSA-N 1 3 308.169 0.280 20 0 DCADHO O=C(Nc1cc(-c2ccncn2)cs1)[C@H]1C[NH2+]CC12CNC2 ZINC001218666111 774277324 /nfs/dbraw/zinc/27/73/24/774277324.db2.gz WNWNGVVZPMINDH-LLVKDONJSA-N 1 3 315.402 0.953 20 0 DCADHO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218711648 774286556 /nfs/dbraw/zinc/28/65/56/774286556.db2.gz LUYXCMLRZWFONW-JFGNBEQYSA-N 1 3 308.338 0.189 20 0 DCADHO Cc1cnn(-c2ccccn2)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218741774 774293388 /nfs/dbraw/zinc/29/33/88/774293388.db2.gz RUJFPHXXSCILQI-CQSZACIVSA-N 1 3 314.393 0.841 20 0 DCADHO COCCOc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccn1 ZINC001218807052 774306533 /nfs/dbraw/zinc/30/65/33/774306533.db2.gz KMICFZCYSVWAGW-MLGOLLRUSA-N 1 3 320.393 0.244 20 0 DCADHO N[C@H](C(=O)Nc1ccc2c(cnn2CCO)c1)C1CC[NH2+]CC1 ZINC001218879570 774319832 /nfs/dbraw/zinc/31/98/32/774319832.db2.gz UVJQYPOVMBLARK-HNNXBMFYSA-N 1 3 317.393 0.294 20 0 DCADHO COCCOc1cccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001218951102 774334269 /nfs/dbraw/zinc/33/42/69/774334269.db2.gz RNCIIFAYXCFRCT-OAHLLOKOSA-N 1 3 307.394 0.977 20 0 DCADHO Cc1noc(-c2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2)n1 ZINC001218955938 774335407 /nfs/dbraw/zinc/33/54/07/774335407.db2.gz RMCCQVOFNIQGFE-CYBMUJFWSA-N 1 3 313.361 0.793 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993807 774343341 /nfs/dbraw/zinc/34/33/41/774343341.db2.gz VKAAJPCWECRMMG-AWEZNQCLSA-N 1 3 304.394 0.862 20 0 DCADHO O=C(Nc1ccc(-n2ccccc2=O)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219016854 774347709 /nfs/dbraw/zinc/34/77/09/774347709.db2.gz ORQRROCEHWQGCC-OAHLLOKOSA-N 1 3 324.384 0.585 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001219027989 774350248 /nfs/dbraw/zinc/35/02/48/774350248.db2.gz KDOOUWOJPMBPIP-VBNZEHGJSA-N 1 3 317.389 0.874 20 0 DCADHO COc1cnc2c(cccc2NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219180544 774401644 /nfs/dbraw/zinc/40/16/44/774401644.db2.gz YTQWGHHCROHKQS-ZDUSSCGKSA-N 1 3 312.373 0.991 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037298 774442508 /nfs/dbraw/zinc/44/25/08/774442508.db2.gz GYFBRKYIZNTLAM-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038233 774443893 /nfs/dbraw/zinc/44/38/93/774443893.db2.gz WCTWBCWMEGFQDD-AWEZNQCLSA-N 1 3 313.442 0.059 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1)C1CC1 ZINC001201052504 774445304 /nfs/dbraw/zinc/44/53/04/774445304.db2.gz GFBUUHDRTLQPHR-INIZCTEOSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001201327486 774489377 /nfs/dbraw/zinc/48/93/77/774489377.db2.gz OWNLXRAUZAENNE-LBPRGKRZSA-N 1 3 312.458 0.432 20 0 DCADHO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC001219612540 774556850 /nfs/dbraw/zinc/55/68/50/774556850.db2.gz AIGYSGACNBBZSZ-NSHDSACASA-N 1 3 303.288 0.080 20 0 DCADHO O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219696293 774582271 /nfs/dbraw/zinc/58/22/71/774582271.db2.gz GLKSTEOIBXYJEJ-CABCVRRESA-N 1 3 303.406 0.710 20 0 DCADHO N[C@@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1O)c1cccc(C(F)(F)F)c1 ZINC001219714769 774588374 /nfs/dbraw/zinc/58/83/74/774588374.db2.gz XSTAJUDJAXYRPD-QJPTWQEYSA-N 1 3 317.311 0.544 20 0 DCADHO O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@@H]1C[C@@H](F)CCN1 ZINC001219789847 774608353 /nfs/dbraw/zinc/60/83/53/774608353.db2.gz ZTNRNMAQNDFTAP-YDHLFZDLSA-N 1 3 308.401 0.804 20 0 DCADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1C[C@@H](F)CCN1 ZINC001219789846 774608516 /nfs/dbraw/zinc/60/85/16/774608516.db2.gz ZTNRNMAQNDFTAP-IPYPFGDCSA-N 1 3 308.401 0.804 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219792116 774609721 /nfs/dbraw/zinc/60/97/21/774609721.db2.gz ZKMUGNPTESOMHJ-JQWIXIFHSA-N 1 3 300.353 0.696 20 0 DCADHO CCOC(=O)CC(=N)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001219883254 774636440 /nfs/dbraw/zinc/63/64/40/774636440.db2.gz SLPSFOHSMJSRCT-NSHDSACASA-N 1 3 300.403 0.529 20 0 DCADHO CN1C(=O)CCC12CCC(NC(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001219896099 774639327 /nfs/dbraw/zinc/63/93/27/774639327.db2.gz LGZGZXMZWIHKEV-GULBITTBSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NCC[NH2+]CCO)cc1 ZINC001219918425 774645589 /nfs/dbraw/zinc/64/55/89/774645589.db2.gz LNWLWNFHVZRSOW-HNNXBMFYSA-N 1 3 323.437 0.432 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)Cc2c[nH]cn2)c1 ZINC001219943357 774653136 /nfs/dbraw/zinc/65/31/36/774653136.db2.gz FXEYVIIGVSPOPJ-HNNXBMFYSA-N 1 3 301.394 0.658 20 0 DCADHO COc1ccc(O[C@H](C)CNC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001219945551 774654093 /nfs/dbraw/zinc/65/40/93/774654093.db2.gz MREQUJOZAZNGIX-MLGOLLRUSA-N 1 3 321.421 0.906 20 0 DCADHO N[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]C1 ZINC001219999357 774664759 /nfs/dbraw/zinc/66/47/59/774664759.db2.gz QQJBZXIKJMPOKL-WBVHZDCISA-N 1 3 302.422 0.631 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cccc(-n2cccn2)c1 ZINC001220010513 774669153 /nfs/dbraw/zinc/66/91/53/774669153.db2.gz CSTCCJWAFGLQFT-AWEZNQCLSA-N 1 3 319.434 0.508 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1(CO)CCOCC1 ZINC001220018380 774671206 /nfs/dbraw/zinc/67/12/06/774671206.db2.gz ANVIXRDDGTVKMP-ZDUSSCGKSA-N 1 3 301.431 0.140 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159639 774713742 /nfs/dbraw/zinc/71/37/42/774713742.db2.gz PQNMRTGVNYCYQI-IVMMDQJWSA-N 1 3 305.426 0.328 20 0 DCADHO N[C@@H](C(=O)NCCc1cn2ccccc2n1)C1CC[NH2+]CC1 ZINC001220278509 774755521 /nfs/dbraw/zinc/75/55/21/774755521.db2.gz VEPJSZNVWOVOFZ-OAHLLOKOSA-N 1 3 301.394 0.320 20 0 DCADHO O=C(NCc1cc(C(F)(F)F)ccn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220388294 774790533 /nfs/dbraw/zinc/79/05/33/774790533.db2.gz ONWBXYWEENQNFG-NSHDSACASA-N 1 3 314.311 0.526 20 0 DCADHO CC(C)(C)C(=O)N1CCC(CNC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001220492668 774825997 /nfs/dbraw/zinc/82/59/97/774825997.db2.gz PLMXGXMYZXMCQC-CYBMUJFWSA-N 1 3 312.458 0.454 20 0 DCADHO O=C(N[C@H]1COCc2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220658793 774879175 /nfs/dbraw/zinc/87/91/75/774879175.db2.gz XJZPXQZCLCNQAT-UKPHBRMFSA-N 1 3 301.390 0.573 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743499 774906684 /nfs/dbraw/zinc/90/66/84/774906684.db2.gz FMGAWPVVJREBGL-OAHLLOKOSA-N 1 3 314.393 0.460 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CNC[C@@H](F)C1 ZINC001220790107 774916425 /nfs/dbraw/zinc/91/64/25/774916425.db2.gz OSKXSDTZOLVBCU-ZQDZILKHSA-N 1 3 306.385 0.796 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1[nH]nc2c1CCNC2 ZINC001220807284 774920766 /nfs/dbraw/zinc/92/07/66/774920766.db2.gz DMEBQDIVDMFEIJ-DTWKUNHWSA-N 1 3 317.315 0.326 20 0 DCADHO COc1cc(CNC(=O)[C@@H](N)CCCC[NH3+])cc(OC)c1O ZINC001220812257 774922557 /nfs/dbraw/zinc/92/25/57/774922557.db2.gz JEGXWYDFDSYIQM-NSHDSACASA-N 1 3 311.382 0.482 20 0 DCADHO CCOc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccc1O ZINC001220816524 774922742 /nfs/dbraw/zinc/92/27/42/774922742.db2.gz PWFJXJRVYSBTQR-CXAGYDPISA-N 1 3 319.405 0.606 20 0 DCADHO COc1cc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)cc(OC)c1O ZINC001220812974 774922943 /nfs/dbraw/zinc/92/29/43/774922943.db2.gz WHKIUTPOPPGTLP-CQSZACIVSA-N 1 3 323.393 0.353 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC)C[C@@H]1O ZINC001220817402 774924559 /nfs/dbraw/zinc/92/45/59/774924559.db2.gz VKANVIDPOQAUGM-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC)C[C@@H]1O ZINC001220817402 774924561 /nfs/dbraw/zinc/92/45/61/774924561.db2.gz VKANVIDPOQAUGM-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO COc1ccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)c(OC)n1 ZINC001220824128 774925070 /nfs/dbraw/zinc/92/50/70/774925070.db2.gz XTOZMFWYTBZNCG-CYBMUJFWSA-N 1 3 308.382 0.042 20 0 DCADHO Cc1noc2ccc(CNC(=O)[C@@H]3C[NH2+]CC34CNC4)cc12 ZINC001220846750 774933280 /nfs/dbraw/zinc/93/32/80/774933280.db2.gz INLMODWBWNYQNO-ZDUSSCGKSA-N 1 3 300.362 0.561 20 0 DCADHO CC(C)(C)C(=O)CN1CCC(NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001220908876 774950657 /nfs/dbraw/zinc/95/06/57/774950657.db2.gz BDXLFYVIXVWQQD-ZDUSSCGKSA-N 1 3 312.458 0.248 20 0 DCADHO COc1ccc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)nc1OC ZINC001220955248 774961699 /nfs/dbraw/zinc/96/16/99/774961699.db2.gz GAACDMVQWAGPMO-ZDUSSCGKSA-N 1 3 324.425 0.774 20 0 DCADHO COC(=O)c1ccc(CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)[nH]1 ZINC001221080127 774991312 /nfs/dbraw/zinc/99/13/12/774991312.db2.gz SNQOFGJFSBKSGD-ZDUSSCGKSA-N 1 3 324.425 0.913 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221157206 775010538 /nfs/dbraw/zinc/01/05/38/775010538.db2.gz CVLYKWIIGFPKBC-ZDUSSCGKSA-N 1 3 307.398 0.338 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cccc(-c2c[nH]cn2)c1 ZINC001221302612 775060452 /nfs/dbraw/zinc/06/04/52/775060452.db2.gz DKIAHRXHZJQWMA-ZDUSSCGKSA-N 1 3 319.434 0.712 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365655 775078376 /nfs/dbraw/zinc/07/83/76/775078376.db2.gz GRUPVJAMHQJUKJ-KFWWJZLASA-N 1 3 309.385 0.607 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221368049 775078714 /nfs/dbraw/zinc/07/87/14/775078714.db2.gz WDDZAQFDQUQEPY-QLFBSQMISA-N 1 3 309.385 0.737 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CNC[C@H](F)C3)CC2)[NH2+]C1 ZINC001221390258 775082070 /nfs/dbraw/zinc/08/20/70/775082070.db2.gz CIJJOMYPXZXLJJ-CHWSQXEVSA-N 1 3 308.401 0.502 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CNC[C@@H](F)C3)CC2)[NH2+]C1 ZINC001221390261 775083459 /nfs/dbraw/zinc/08/34/59/775083459.db2.gz CIJJOMYPXZXLJJ-OLZOCXBDSA-N 1 3 308.401 0.502 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CC[NH2+]C[C@H]3F)CC2)NC1 ZINC001221392244 775083741 /nfs/dbraw/zinc/08/37/41/775083741.db2.gz KOZOUEVSEASLRA-ZIAGYGMSSA-N 1 3 308.401 0.502 20 0 DCADHO O=C(NCc1ccc(-c2c[nH]cn2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221398073 775086451 /nfs/dbraw/zinc/08/64/51/775086451.db2.gz ZUHBGKZKHCFBGK-AWEZNQCLSA-N 1 3 311.389 0.502 20 0 DCADHO CO[C@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001221398909 775086657 /nfs/dbraw/zinc/08/66/57/775086657.db2.gz JWHHWZWPFYNZLD-JYJNAYRXSA-N 1 3 303.406 0.584 20 0 DCADHO COCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424227 775114830 /nfs/dbraw/zinc/11/48/30/775114830.db2.gz JEYCMVDCDXIHRC-WCVJEAGWSA-N 1 3 307.438 0.696 20 0 DCADHO CC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@]3(CCCCN3)C2)C1 ZINC001222669075 775411682 /nfs/dbraw/zinc/41/16/82/775411682.db2.gz RLLPOAHJWPZTQX-DLBZAZTESA-N 1 3 308.470 0.662 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224260834 775551306 /nfs/dbraw/zinc/55/13/06/775551306.db2.gz LAOXXKVEBAJYOR-AWEZNQCLSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095785118 775670105 /nfs/dbraw/zinc/67/01/05/775670105.db2.gz AWETXTZOADMNPM-TUBVSAOGSA-N 1 3 319.449 0.981 20 0 DCADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095785118 775670111 /nfs/dbraw/zinc/67/01/11/775670111.db2.gz AWETXTZOADMNPM-TUBVSAOGSA-N 1 3 319.449 0.981 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831556 775882876 /nfs/dbraw/zinc/88/28/76/775882876.db2.gz SSSLVWRZVFFEIN-BPLDGKMQSA-N 1 3 324.469 0.622 20 0 DCADHO CN(C)[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC001227797893 776006640 /nfs/dbraw/zinc/00/66/40/776006640.db2.gz OTTWONMSHSTSBM-CJNGLKHVSA-N 1 3 309.454 0.944 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001114778948 776117518 /nfs/dbraw/zinc/11/75/18/776117518.db2.gz URYIGSPDSMEWME-DCQANWLSSA-N 1 3 323.359 0.298 20 0 DCADHO C[C@H](COCC(=O)NC1CCN(CCO)CC1)[NH+]1CCCC1 ZINC001229243501 776173333 /nfs/dbraw/zinc/17/33/33/776173333.db2.gz NVBLHPDESAXGOY-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001229868180 776231476 /nfs/dbraw/zinc/23/14/76/776231476.db2.gz BJGYFWWNRQPLQG-HUUCEWRRSA-N 1 3 315.458 0.354 20 0 DCADHO CCCN(C)CC(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001230113219 776253958 /nfs/dbraw/zinc/25/39/58/776253958.db2.gz XTTARXCOJOQETN-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CC2)C1 ZINC001230139138 776258387 /nfs/dbraw/zinc/25/83/87/776258387.db2.gz YMLWZHUEHJYFMO-BPLDGKMQSA-N 1 3 322.453 0.234 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CC2)C1 ZINC001230139138 776258391 /nfs/dbraw/zinc/25/83/91/776258391.db2.gz YMLWZHUEHJYFMO-BPLDGKMQSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001230627663 776358565 /nfs/dbraw/zinc/35/85/65/776358565.db2.gz DFDVMDOIFWMROD-HNNXBMFYSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001230627663 776358575 /nfs/dbraw/zinc/35/85/75/776358575.db2.gz DFDVMDOIFWMROD-HNNXBMFYSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001230627664 776358710 /nfs/dbraw/zinc/35/87/10/776358710.db2.gz DFDVMDOIFWMROD-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001230627664 776358719 /nfs/dbraw/zinc/35/87/19/776358719.db2.gz DFDVMDOIFWMROD-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(C)C ZINC001317593466 945093096 /nfs/dbraw/zinc/09/30/96/945093096.db2.gz WHHDTGOFJFWCGS-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(C)C ZINC001317593466 945093103 /nfs/dbraw/zinc/09/31/03/945093103.db2.gz WHHDTGOFJFWCGS-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001317599454 945101231 /nfs/dbraw/zinc/10/12/31/945101231.db2.gz VVLPTWIZKXBMMC-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001317631543 945129267 /nfs/dbraw/zinc/12/92/67/945129267.db2.gz YPIHBDXDXMDCNQ-AWEZNQCLSA-N 1 3 310.446 0.283 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nnnn3C)CC2)CC1 ZINC001278156371 945158446 /nfs/dbraw/zinc/15/84/46/945158446.db2.gz QTVGVDLUEKHWPC-UHFFFAOYSA-N 1 3 321.429 0.345 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(CCc3ccc(O)cc3)C[C@H]21 ZINC001278167788 945166103 /nfs/dbraw/zinc/16/61/03/945166103.db2.gz MHOLJAMZACLUFV-MSOLQXFVSA-N 1 3 319.449 0.881 20 0 DCADHO C[C@@]1(CN)CCCC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC001246585019 945436317 /nfs/dbraw/zinc/43/63/17/945436317.db2.gz NTCBOIVBBOZSLH-AWEZNQCLSA-N 1 3 303.472 0.861 20 0 DCADHO C[C@@]1(CN)CCCC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC001246585019 945436319 /nfs/dbraw/zinc/43/63/19/945436319.db2.gz NTCBOIVBBOZSLH-AWEZNQCLSA-N 1 3 303.472 0.861 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)CC[NH3+] ZINC000398200832 939189661 /nfs/dbraw/zinc/18/96/61/939189661.db2.gz PJRRVDRESAYDQN-DZGCQCFKSA-N 1 3 311.451 0.775 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001266702324 939214757 /nfs/dbraw/zinc/21/47/57/939214757.db2.gz XPXCHUFBYVRYLL-CYBMUJFWSA-N 1 3 306.414 0.003 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001267015388 939309948 /nfs/dbraw/zinc/30/99/48/939309948.db2.gz XNMRDENJTORYDM-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cc(CC[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001267058665 939326601 /nfs/dbraw/zinc/32/66/01/939326601.db2.gz NNAWELVDKUKTPC-AWEZNQCLSA-N 1 3 316.409 0.367 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001267389998 939446258 /nfs/dbraw/zinc/44/62/58/939446258.db2.gz ITUCKRCAIMWJLX-GHMZBOCLSA-N 1 3 313.364 0.688 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)CCn1cccn1 ZINC001480950882 939470590 /nfs/dbraw/zinc/47/05/90/939470590.db2.gz MBNOZEJNYJXMPP-GASCZTMLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)CCn1cccn1 ZINC001480950882 939470592 /nfs/dbraw/zinc/47/05/92/939470592.db2.gz MBNOZEJNYJXMPP-GASCZTMLSA-N 1 3 307.442 0.804 20 0 DCADHO CN(CC[NH2+]C[C@H](O)CC(F)(F)F)C(=O)[C@@H]1CCCN1C ZINC001481215530 939641902 /nfs/dbraw/zinc/64/19/02/939641902.db2.gz KKOXCRLNWLULHT-MNOVXSKESA-N 1 3 311.348 0.442 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cn1 ZINC001481280426 939706250 /nfs/dbraw/zinc/70/62/50/939706250.db2.gz QPDWUBQXXLKCKP-ZDUSSCGKSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cn1 ZINC001481280426 939706251 /nfs/dbraw/zinc/70/62/51/939706251.db2.gz QPDWUBQXXLKCKP-ZDUSSCGKSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001268010998 939734112 /nfs/dbraw/zinc/73/41/12/939734112.db2.gz FUPSLBHOBSWFHP-LBPRGKRZSA-N 1 3 318.425 0.579 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N(C)C ZINC001481522301 939913760 /nfs/dbraw/zinc/91/37/60/939913760.db2.gz DTAMFUCPUYJQNS-HZSPNIEDSA-N 1 3 310.442 0.138 20 0 DCADHO O[C@@H](CNC1CN(C2CC[NH2+]CC2)C1)COc1cccc(F)c1 ZINC001245991965 945307890 /nfs/dbraw/zinc/30/78/90/945307890.db2.gz WZTIBIBVRSORNM-INIZCTEOSA-N 1 3 323.412 0.591 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1cnnn1C ZINC001482140961 940281417 /nfs/dbraw/zinc/28/14/17/940281417.db2.gz ABHXUBGIYRJGPJ-ZDUSSCGKSA-N 1 3 324.473 0.635 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001268624692 940306074 /nfs/dbraw/zinc/30/60/74/940306074.db2.gz FOKNBYBBBYUNOF-KFBXHMBNSA-N 1 3 324.469 0.503 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001268624692 940306077 /nfs/dbraw/zinc/30/60/77/940306077.db2.gz FOKNBYBBBYUNOF-KFBXHMBNSA-N 1 3 324.469 0.503 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)COc1ccc(C)cc1 ZINC001246017821 945316113 /nfs/dbraw/zinc/31/61/13/945316113.db2.gz CQCGMQPJJMGNLJ-ZBFHGGJFSA-N 1 3 323.437 0.568 20 0 DCADHO N[C@H]1CN(CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@H]1F ZINC001246015344 945316461 /nfs/dbraw/zinc/31/64/61/945316461.db2.gz VLWMIARVSVSWON-CVEARBPZSA-N 1 3 307.413 0.995 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001246010690 945313758 /nfs/dbraw/zinc/31/37/58/945313758.db2.gz YORXXYHLZJODRQ-CVEARBPZSA-N 1 3 323.437 0.527 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001269710485 940760417 /nfs/dbraw/zinc/76/04/17/940760417.db2.gz GENWBWLDCCGNMX-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246143367 945348176 /nfs/dbraw/zinc/34/81/76/945348176.db2.gz JZAAAYROAWYEET-JKIFEVAISA-N 1 3 324.469 0.134 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001482267540 940840768 /nfs/dbraw/zinc/84/07/68/940840768.db2.gz UBAHQJSPJVMPSK-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365893 941023360 /nfs/dbraw/zinc/02/33/60/941023360.db2.gz ZCULWWJZLCUBTA-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482365893 941023363 /nfs/dbraw/zinc/02/33/63/941023363.db2.gz ZCULWWJZLCUBTA-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001482531497 941459163 /nfs/dbraw/zinc/45/91/63/941459163.db2.gz ALNXXUNYPUSADB-GXTWGEPZSA-N 1 3 312.458 0.336 20 0 DCADHO Cc1nccnc1CN[C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001482555235 941493735 /nfs/dbraw/zinc/49/37/35/941493735.db2.gz RHCXYAYLZAINMY-AWEZNQCLSA-N 1 3 307.442 0.967 20 0 DCADHO Cc1cc(CN[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)ncn1 ZINC001482569632 941510266 /nfs/dbraw/zinc/51/02/66/941510266.db2.gz CTOAEIOXKJWUQW-HOCLYGCPSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1cc(CN[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)ncn1 ZINC001482569632 941510270 /nfs/dbraw/zinc/51/02/70/941510270.db2.gz CTOAEIOXKJWUQW-HOCLYGCPSA-N 1 3 319.453 0.967 20 0 DCADHO C[C@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)c1ccccc1F ZINC001482764133 941660113 /nfs/dbraw/zinc/66/01/13/941660113.db2.gz KEJIVPPJKKKUKH-STQMWFEESA-N 1 3 311.401 0.905 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001482901763 941702044 /nfs/dbraw/zinc/70/20/44/941702044.db2.gz MJFVLDCIVADFOA-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482962893 941728607 /nfs/dbraw/zinc/72/86/07/941728607.db2.gz QBEARBXDAMTYAJ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482962893 941728611 /nfs/dbraw/zinc/72/86/11/941728611.db2.gz QBEARBXDAMTYAJ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001409459043 942005279 /nfs/dbraw/zinc/00/52/79/942005279.db2.gz UUDRCYSKERVNMM-DCBWTQNWSA-N 1 3 321.425 0.446 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001483285820 942237713 /nfs/dbraw/zinc/23/77/13/942237713.db2.gz GRJGMEVZRDFXFQ-DZGCQCFKSA-N 1 3 309.458 0.643 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001083669086 942450099 /nfs/dbraw/zinc/45/00/99/942450099.db2.gz TVXVIMAFPDIPHB-IKGGRYGDSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001083669086 942450100 /nfs/dbraw/zinc/45/01/00/942450100.db2.gz TVXVIMAFPDIPHB-IKGGRYGDSA-N 1 3 321.465 0.822 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001413067218 942462707 /nfs/dbraw/zinc/46/27/07/942462707.db2.gz CNXMCXUMWHXYQI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001127082804 942466436 /nfs/dbraw/zinc/46/64/36/942466436.db2.gz ZENOCQBBIAQATM-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001127082804 942466440 /nfs/dbraw/zinc/46/64/40/942466440.db2.gz ZENOCQBBIAQATM-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(=O)NC ZINC001483616996 942468269 /nfs/dbraw/zinc/46/82/69/942468269.db2.gz VMNOPRAIYPIWHG-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC1(N2CCOCC2)CCC([NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC001413222999 942570790 /nfs/dbraw/zinc/57/07/90/942570790.db2.gz LHOBIQYPKJYNEJ-PCKAHOCUSA-N 1 3 323.441 0.262 20 0 DCADHO CC[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001272437860 942755472 /nfs/dbraw/zinc/75/54/72/942755472.db2.gz RIPRFVIMRZEVHH-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CC[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001272437860 942755477 /nfs/dbraw/zinc/75/54/77/942755477.db2.gz RIPRFVIMRZEVHH-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1)C1CCC1 ZINC001483935436 943037356 /nfs/dbraw/zinc/03/73/56/943037356.db2.gz VVVCQOONKLVITC-HNNXBMFYSA-N 1 3 322.453 0.330 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001483973883 943064738 /nfs/dbraw/zinc/06/47/38/943064738.db2.gz KJLPHEBIRKFAHZ-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001483973883 943064746 /nfs/dbraw/zinc/06/47/46/943064746.db2.gz KJLPHEBIRKFAHZ-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001484126551 943158441 /nfs/dbraw/zinc/15/84/41/943158441.db2.gz WTPNSWYNJZGUSP-WMLDXEAASA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCCF)C2)CCC1 ZINC001484223789 943219720 /nfs/dbraw/zinc/21/97/20/943219720.db2.gz OUEFAOCKJFREKK-AWEZNQCLSA-N 1 3 301.406 0.383 20 0 DCADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCCF)C2)CCC1 ZINC001484223789 943219724 /nfs/dbraw/zinc/21/97/24/943219724.db2.gz OUEFAOCKJFREKK-AWEZNQCLSA-N 1 3 301.406 0.383 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001484382302 943346898 /nfs/dbraw/zinc/34/68/98/943346898.db2.gz GQFJPFGJQWNSIH-KGLIPLIRSA-N 1 3 312.458 0.101 20 0 DCADHO COCCOCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001484411829 943359346 /nfs/dbraw/zinc/35/93/46/943359346.db2.gz WPXUULHJPBORKP-OKILXGFUSA-N 1 3 322.409 0.005 20 0 DCADHO COCCOCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001484411829 943359349 /nfs/dbraw/zinc/35/93/49/943359349.db2.gz WPXUULHJPBORKP-OKILXGFUSA-N 1 3 322.409 0.005 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001484677559 943508640 /nfs/dbraw/zinc/50/86/40/943508640.db2.gz NTWLYQOACUGCGB-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](F)CC)C1 ZINC001484696507 943527141 /nfs/dbraw/zinc/52/71/41/943527141.db2.gz NTQRURBUXLMZKV-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cnn(C)c2)[C@@H](C)C1 ZINC001484901271 943617721 /nfs/dbraw/zinc/61/77/21/943617721.db2.gz ACKMNDRHZIIUBK-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cnn(C)c2)[C@@H](C)C1 ZINC001484901271 943617722 /nfs/dbraw/zinc/61/77/22/943617722.db2.gz ACKMNDRHZIIUBK-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001491322373 943917912 /nfs/dbraw/zinc/91/79/12/943917912.db2.gz KUTQKFBGWWOMMB-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001491322373 943917914 /nfs/dbraw/zinc/91/79/14/943917914.db2.gz KUTQKFBGWWOMMB-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCCCC1)N(C)C ZINC001485449929 943943377 /nfs/dbraw/zinc/94/33/77/943943377.db2.gz WXQWHIATRCJHTI-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CCCC[C@@H](CN[C@H](C)C(=O)NC)NC(=O)C12CC[NH+](CC1)C2 ZINC001485470975 943952198 /nfs/dbraw/zinc/95/21/98/943952198.db2.gz VVWHSIRNNADPPT-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001491476858 944030605 /nfs/dbraw/zinc/03/06/05/944030605.db2.gz DDYPCABZKAUXPI-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001485615969 944038446 /nfs/dbraw/zinc/03/84/46/944038446.db2.gz KHOYXYPDWDIFOX-QKDCVEJESA-N 1 3 311.470 0.905 20 0 DCADHO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001485615969 944038452 /nfs/dbraw/zinc/03/84/52/944038452.db2.gz KHOYXYPDWDIFOX-QKDCVEJESA-N 1 3 311.470 0.905 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCCF)C1 ZINC001485650557 944053801 /nfs/dbraw/zinc/05/38/01/944053801.db2.gz WXTIJYPBKSPOMW-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCCF)C1 ZINC001485650557 944053808 /nfs/dbraw/zinc/05/38/08/944053808.db2.gz WXTIJYPBKSPOMW-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@H]([NH2+]CCCO)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001276779051 944296198 /nfs/dbraw/zinc/29/61/98/944296198.db2.gz PVDOEJYUNHKRSF-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001486082108 944543222 /nfs/dbraw/zinc/54/32/22/944543222.db2.gz WLNPSQUFFKQSTG-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)CN(C)C1CCC1 ZINC001486114236 944574176 /nfs/dbraw/zinc/57/41/76/944574176.db2.gz MMUCWPKRPVSKOK-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)CCC[NH+](C)C ZINC001486123212 944579001 /nfs/dbraw/zinc/57/90/01/944579001.db2.gz ZLIMZDGTBHOPIM-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)CCC[NH+](C)C ZINC001486123210 944579873 /nfs/dbraw/zinc/57/98/73/944579873.db2.gz ZLIMZDGTBHOPIM-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CCCNC(=O)CC[NH+]1CCCCC1)[C@H]1CCNC1=O ZINC001316912051 944640726 /nfs/dbraw/zinc/64/07/26/944640726.db2.gz ZTRWWQRWDADWRZ-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H]1C[C@@H]1CN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001277140375 944676645 /nfs/dbraw/zinc/67/66/45/944676645.db2.gz XGVIYOIHSBHDSP-MYZSUADSSA-N 1 3 320.437 0.539 20 0 DCADHO C[C@@H](CCC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001277211648 944708654 /nfs/dbraw/zinc/70/86/54/944708654.db2.gz YXANKAYSBCGKQM-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC001486317910 944762560 /nfs/dbraw/zinc/76/25/60/944762560.db2.gz NINQRZJYPGDUMW-INIZCTEOSA-N 1 3 307.438 0.936 20 0 DCADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CN(CC(=O)N(C)C)C2 ZINC001277338440 944769267 /nfs/dbraw/zinc/76/92/67/944769267.db2.gz UWOKWQSOYRVCLO-RHSMWYFYSA-N 1 3 324.469 0.197 20 0 DCADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3cn[nH]n3)(C1)C2 ZINC001277379173 944795858 /nfs/dbraw/zinc/79/58/58/944795858.db2.gz LJXYZHXVAIRQDW-UHFFFAOYSA-N 1 3 320.441 0.617 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001486481509 944915918 /nfs/dbraw/zinc/91/59/18/944915918.db2.gz QUAFVCALXVYXAQ-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)C[NH2+]1 ZINC001246462944 945415222 /nfs/dbraw/zinc/41/52/22/945415222.db2.gz JLCVYPBPNNDUMX-WSOGJNRSSA-N 1 3 301.456 0.672 20 0 DCADHO CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)CCN1 ZINC001246684136 945460364 /nfs/dbraw/zinc/46/03/64/945460364.db2.gz KTKQYHLKVXURDG-LBKYZSNHSA-N 1 3 323.437 0.123 20 0 DCADHO CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)CCN1 ZINC001246684136 945460368 /nfs/dbraw/zinc/46/03/68/945460368.db2.gz KTKQYHLKVXURDG-LBKYZSNHSA-N 1 3 323.437 0.123 20 0 DCADHO OC1(C[NH+]2CCCCC2)CCN(CCN2CCOCC2)CC1 ZINC001414064691 945461841 /nfs/dbraw/zinc/46/18/41/945461841.db2.gz ISFNIJSKYOROLI-UHFFFAOYSA-N 1 3 311.470 0.631 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)CCN1 ZINC001246722540 945472962 /nfs/dbraw/zinc/47/29/62/945472962.db2.gz QXROLQPBZOSVAZ-CKEIUWERSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)CCN1 ZINC001246722540 945472966 /nfs/dbraw/zinc/47/29/66/945472966.db2.gz QXROLQPBZOSVAZ-CKEIUWERSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@H]1C[C@H](N2CCC(C(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC001246807899 945493904 /nfs/dbraw/zinc/49/39/04/945493904.db2.gz UZIWTLSQMSCFSK-GOEBONIOSA-N 1 3 308.470 0.613 20 0 DCADHO COc1cc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)ccn1 ZINC001246967640 945530186 /nfs/dbraw/zinc/53/01/86/945530186.db2.gz GIZORQDYMMJXEU-OAHLLOKOSA-N 1 3 317.437 0.306 20 0 DCADHO O[C@@H]1C[NH2+]CC[C@@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247759162 945573402 /nfs/dbraw/zinc/57/34/02/945573402.db2.gz WYFYTOQQIKPOAN-GXFFZTMASA-N 1 3 301.350 0.215 20 0 DCADHO [NH3+]C1CCN(Cc2nc(-c3ccc4c(n3)CCNC4)no2)CC1 ZINC001248202754 945594373 /nfs/dbraw/zinc/59/43/73/945594373.db2.gz BUDANPJXRRYTDL-UHFFFAOYSA-N 1 3 314.393 0.700 20 0 DCADHO COc1ccc(CC[NH+]2CCC(NC[C@H](O)CO)CC2)cc1 ZINC001252073900 945868006 /nfs/dbraw/zinc/86/80/06/945868006.db2.gz SUTVRFTVORMOPD-INIZCTEOSA-N 1 3 308.422 0.645 20 0 DCADHO COc1ccc(CNC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001410214426 946044006 /nfs/dbraw/zinc/04/40/06/946044006.db2.gz INSQWZZKUYEJLR-MQMHXKEQSA-N 1 3 321.425 0.421 20 0 DCADHO CN1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(CCO)cc3)C[C@@H]2C1 ZINC001253142274 946068368 /nfs/dbraw/zinc/06/83/68/946068368.db2.gz AGYSKUPVVYVYMO-BBWFWOEESA-N 1 3 320.433 0.455 20 0 DCADHO CN1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(CCO)cc3)C[C@@H]2C1 ZINC001253142274 946068384 /nfs/dbraw/zinc/06/83/84/946068384.db2.gz AGYSKUPVVYVYMO-BBWFWOEESA-N 1 3 320.433 0.455 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001410240981 946081319 /nfs/dbraw/zinc/08/13/19/946081319.db2.gz OJLNKDCGYNGIIB-AVGNSLFASA-N 1 3 310.442 0.219 20 0 DCADHO CCN(CC)C[C@H](O)C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001253185458 946087295 /nfs/dbraw/zinc/08/72/95/946087295.db2.gz RRAFERJTIPJSLQ-OAGGEKHMSA-N 1 3 319.453 0.547 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+]CCC(=O)NCc1ccccc1 ZINC001253208460 946093908 /nfs/dbraw/zinc/09/39/08/946093908.db2.gz RAJZAUUSJHFHQL-INIZCTEOSA-N 1 3 307.438 0.985 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001321113217 946171447 /nfs/dbraw/zinc/17/14/47/946171447.db2.gz WZFILEISCKWCOG-RDFMZFSFSA-N 1 3 322.453 0.388 20 0 DCADHO O=C1C[C@H](NCC2(O)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC001254049868 946226220 /nfs/dbraw/zinc/22/62/20/946226220.db2.gz POGASWWCSQEUIV-HNNXBMFYSA-N 1 3 304.390 0.919 20 0 DCADHO CN1CCN(C)C2(CCN([C@@H]3CCC[N@H+](C)CC3)CC2)C1=O ZINC001254520656 946403076 /nfs/dbraw/zinc/40/30/76/946403076.db2.gz YASZJKNZQJLYMK-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CN1CCN(C)C2(CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)C1=O ZINC001254520656 946403080 /nfs/dbraw/zinc/40/30/80/946403080.db2.gz YASZJKNZQJLYMK-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CCCF)C(=O)C(C)(C)N1CCCC1 ZINC001278792892 946407028 /nfs/dbraw/zinc/40/70/28/946407028.db2.gz YOWVGVKBYABRJB-ZDUSSCGKSA-N 1 3 303.422 0.629 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001410486068 946479710 /nfs/dbraw/zinc/47/97/10/946479710.db2.gz HFCAFYCLBLYBNH-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CCO1 ZINC001273316680 946495916 /nfs/dbraw/zinc/49/59/16/946495916.db2.gz UUWNEHIAMJSVHO-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CN1CC[C@H]([NH2+]CC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001255421541 946501680 /nfs/dbraw/zinc/50/16/80/946501680.db2.gz QXSMSWPAWMCORF-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO CN1CC[C@@H](N(c2ncccn2)[C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001255431541 946503368 /nfs/dbraw/zinc/50/33/68/946503368.db2.gz KQWFINPJGQYPEG-HUUCEWRRSA-N 1 3 317.437 0.898 20 0 DCADHO CN(CCC[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001322648179 946756560 /nfs/dbraw/zinc/75/65/60/946756560.db2.gz MBITWHUZYPVBMK-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CCC[NH+](C)C ZINC001410847755 947023071 /nfs/dbraw/zinc/02/30/71/947023071.db2.gz FVHZVSMPMXLCPK-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001410872615 947066653 /nfs/dbraw/zinc/06/66/53/947066653.db2.gz YPXRUKQUPNCKRK-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001410872621 947067027 /nfs/dbraw/zinc/06/70/27/947067027.db2.gz YPXRUKQUPNCKRK-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001410963664 947167432 /nfs/dbraw/zinc/16/74/32/947167432.db2.gz CTMXGIOZKHTHHF-OLZOCXBDSA-N 1 3 324.469 0.432 20 0 DCADHO COC(=O)[C@@H](C)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273414697 947225350 /nfs/dbraw/zinc/22/53/50/947225350.db2.gz HBHRUVMFUDFKGS-BBRMVZONSA-N 1 3 311.426 0.282 20 0 DCADHO COC(=O)[C@@H](C)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273414697 947225357 /nfs/dbraw/zinc/22/53/57/947225357.db2.gz HBHRUVMFUDFKGS-BBRMVZONSA-N 1 3 311.426 0.282 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001411225900 947514582 /nfs/dbraw/zinc/51/45/82/947514582.db2.gz SJFILDVUGYTJQT-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001411246747 947536526 /nfs/dbraw/zinc/53/65/26/947536526.db2.gz BGXPJSIUIFLUBH-UHFFFAOYSA-N 1 3 310.442 0.043 20 0 DCADHO CCC(C)(C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001324828060 947544625 /nfs/dbraw/zinc/54/46/25/947544625.db2.gz METFAFPIJYJDHW-UHFFFAOYSA-N 1 3 314.474 0.491 20 0 DCADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246271870 947687453 /nfs/dbraw/zinc/68/74/53/947687453.db2.gz ZUATYVGIKQUUQP-GXTWGEPZSA-N 1 3 303.472 0.919 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179472633 947848164 /nfs/dbraw/zinc/84/81/64/947848164.db2.gz QARZEAHISPNNCB-OBJOEFQTSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779375 947904121 /nfs/dbraw/zinc/90/41/21/947904121.db2.gz LZRNDLFCTYZCME-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001186816603 947943164 /nfs/dbraw/zinc/94/31/64/947943164.db2.gz CBHPWQOXYUENFX-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001186816603 947943169 /nfs/dbraw/zinc/94/31/69/947943169.db2.gz CBHPWQOXYUENFX-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001494911308 948399163 /nfs/dbraw/zinc/39/91/63/948399163.db2.gz TYGGFGYMLCYKEP-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCCCC1 ZINC001491566987 948731942 /nfs/dbraw/zinc/73/19/42/948731942.db2.gz BWZCAFMJYUBVTP-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC[NH3+] ZINC000382730225 948735484 /nfs/dbraw/zinc/73/54/84/948735484.db2.gz ADTGYXNNSJJFAY-HNNXBMFYSA-N 1 3 311.451 0.729 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001328217713 948752013 /nfs/dbraw/zinc/75/20/13/948752013.db2.gz MCMFEKGKZBQDGT-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H]2CCn3ccnc32)CC1 ZINC001328615611 948990976 /nfs/dbraw/zinc/99/09/76/948990976.db2.gz LADWWZXSWGYJCC-CQSZACIVSA-N 1 3 305.426 0.908 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001264583748 949013463 /nfs/dbraw/zinc/01/34/63/949013463.db2.gz APCUMDHIQYXKEP-LLVKDONJSA-N 1 3 307.398 0.250 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001264583748 949013484 /nfs/dbraw/zinc/01/34/84/949013484.db2.gz APCUMDHIQYXKEP-LLVKDONJSA-N 1 3 307.398 0.250 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001489237719 949653306 /nfs/dbraw/zinc/65/33/06/949653306.db2.gz AXSYGKXBDUYDHZ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCNC(=O)C1CC1 ZINC001265808409 949963015 /nfs/dbraw/zinc/96/30/15/949963015.db2.gz DEQMCQSIJXQUJL-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001489820365 950123037 /nfs/dbraw/zinc/12/30/37/950123037.db2.gz NDPDYOXVMKYYBR-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001489820365 950123053 /nfs/dbraw/zinc/12/30/53/950123053.db2.gz NDPDYOXVMKYYBR-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001265947727 950179240 /nfs/dbraw/zinc/17/92/40/950179240.db2.gz WNJAHFHMHKLBGS-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001266241222 950513948 /nfs/dbraw/zinc/51/39/48/950513948.db2.gz LPCFSCBMAUZGPK-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CCN(CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001490330617 950587121 /nfs/dbraw/zinc/58/71/21/950587121.db2.gz DSYMZBUBKGXKRN-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001490330617 950587140 /nfs/dbraw/zinc/58/71/40/950587140.db2.gz DSYMZBUBKGXKRN-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001279717248 950678885 /nfs/dbraw/zinc/67/88/85/950678885.db2.gz LQAQVBCZZKDOMR-LSDHHAIUSA-N 1 3 315.433 0.487 20 0 DCADHO C[C@@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001330834778 950696507 /nfs/dbraw/zinc/69/65/07/950696507.db2.gz GFDBKDVNGNTRTP-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001365208296 950741040 /nfs/dbraw/zinc/74/10/40/950741040.db2.gz RUAYEMKUMVKZMW-CJNGLKHVSA-N 1 3 320.441 0.860 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001365208296 950741056 /nfs/dbraw/zinc/74/10/56/950741056.db2.gz RUAYEMKUMVKZMW-CJNGLKHVSA-N 1 3 320.441 0.860 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001280241035 950794787 /nfs/dbraw/zinc/79/47/87/950794787.db2.gz KJVLLLZPFROYQJ-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001490669510 950974209 /nfs/dbraw/zinc/97/42/09/950974209.db2.gz YBFZMJKJPKDMCT-QWHCGFSZSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2ccnn2C)C2CC2)C1 ZINC001490708851 951024980 /nfs/dbraw/zinc/02/49/80/951024980.db2.gz FBTVDBDZMPGVDI-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001332154901 951500568 /nfs/dbraw/zinc/50/05/68/951500568.db2.gz GOLSZANUXYTKHG-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO COCC[N@H+](CCO)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001365875512 951640010 /nfs/dbraw/zinc/64/00/10/951640010.db2.gz NAUYVVNAEKGKIQ-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001365875512 951640014 /nfs/dbraw/zinc/64/00/14/951640014.db2.gz NAUYVVNAEKGKIQ-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001332946029 951860980 /nfs/dbraw/zinc/86/09/80/951860980.db2.gz RSWVUMXSCXHGEN-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO Cc1cc(CN2C[C@@H]3C(=O)NC4(CC[NH+](C)CC4)[C@H]3C2)n(C)n1 ZINC001275047257 951942613 /nfs/dbraw/zinc/94/26/13/951942613.db2.gz RWIPOMQESJXPPF-GJZGRUSLSA-N 1 3 317.437 0.371 20 0 DCADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](C[C@H]1CCC(=O)N1)CC2 ZINC001275186228 951990511 /nfs/dbraw/zinc/99/05/11/951990511.db2.gz JHNLBHBOLMFDKP-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC12CC2 ZINC001336610384 952737305 /nfs/dbraw/zinc/73/73/05/952737305.db2.gz CIUHXOZBASUKMZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCN(CCCNC(=O)C[C@@H]([NH3+])CCSC)CC1 ZINC001340112723 953146369 /nfs/dbraw/zinc/14/63/69/953146369.db2.gz NVOZIFFFYXCLRM-AWEZNQCLSA-N 1 3 316.515 0.601 20 0 DCADHO C[C@@H](Cc1c[nH]cn1)C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341069786 953209617 /nfs/dbraw/zinc/20/96/17/953209617.db2.gz DYGXWYQNGZVQPS-AWEZNQCLSA-N 1 3 307.442 0.780 20 0 DCADHO [NH3+]CCNCC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001341259115 953219669 /nfs/dbraw/zinc/21/96/69/953219669.db2.gz NGSXNCISFMDJIE-UONOGXRCSA-N 1 3 318.421 0.044 20 0 DCADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001365887786 953362953 /nfs/dbraw/zinc/36/29/53/953362953.db2.gz JIKODNLMZZHHKB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001366155129 953749503 /nfs/dbraw/zinc/74/95/03/953749503.db2.gz KGLUAWSQYOXPPA-LXTVHRRPSA-N 1 3 324.469 0.430 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001366246824 953885930 /nfs/dbraw/zinc/88/59/30/953885930.db2.gz IHDUGGCWDDHUDD-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCN(C)C1=O ZINC001366297699 953978108 /nfs/dbraw/zinc/97/81/08/953978108.db2.gz ZIGDJGJXWUMWDF-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2n[nH]c(C)n2)C1 ZINC001366320486 954018447 /nfs/dbraw/zinc/01/84/47/954018447.db2.gz OXIVMZNTKYRHFW-TZMCWYRMSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2n[nH]c(C)n2)C1 ZINC001366320486 954018460 /nfs/dbraw/zinc/01/84/60/954018460.db2.gz OXIVMZNTKYRHFW-TZMCWYRMSA-N 1 3 322.457 0.829 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001366330807 954036737 /nfs/dbraw/zinc/03/67/37/954036737.db2.gz YXNCTRAZJZZGJG-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001366404629 954158941 /nfs/dbraw/zinc/15/89/41/954158941.db2.gz QKJSKTDUQXIBJV-HOCLYGCPSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)C[C@@H]1C[C@]12CCOC2)C1CCC1 ZINC001366536361 954370943 /nfs/dbraw/zinc/37/09/43/954370943.db2.gz KSNKBAUZRDQAAV-YOEHRIQHSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)C[C@@H]1C[C@]12CCOC2)C1CCC1 ZINC001366536361 954370963 /nfs/dbraw/zinc/37/09/63/954370963.db2.gz KSNKBAUZRDQAAV-YOEHRIQHSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)CC[NH+]1CCCCC1)N(C)C ZINC001349174103 954632372 /nfs/dbraw/zinc/63/23/72/954632372.db2.gz SJFNKGQEFPFRCV-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001349261817 954681754 /nfs/dbraw/zinc/68/17/54/954681754.db2.gz JFGIGGCFRFCECL-CQSZACIVSA-N 1 3 312.458 0.147 20 0 DCADHO CN(CCN[C@@H]1CCN(C(C)(C)C)C1=O)C(=O)CC[NH+](C)C ZINC001366777939 954831224 /nfs/dbraw/zinc/83/12/24/954831224.db2.gz SQJHFEWZTPAYAL-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001366884543 954991307 /nfs/dbraw/zinc/99/13/07/954991307.db2.gz RJURYVGGQQVFBL-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001366884543 954991313 /nfs/dbraw/zinc/99/13/13/954991313.db2.gz RJURYVGGQQVFBL-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366882404 954992274 /nfs/dbraw/zinc/99/22/74/954992274.db2.gz BQVNTIGFFJRPRR-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366886462 954995618 /nfs/dbraw/zinc/99/56/18/954995618.db2.gz IEIYNKYWOATCQF-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366886462 954995628 /nfs/dbraw/zinc/99/56/28/954995628.db2.gz IEIYNKYWOATCQF-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNCCF ZINC001284428611 955084634 /nfs/dbraw/zinc/08/46/34/955084634.db2.gz HFFGPZYVYUEKEZ-KGLIPLIRSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNCCF ZINC001284428611 955084648 /nfs/dbraw/zinc/08/46/48/955084648.db2.gz HFFGPZYVYUEKEZ-KGLIPLIRSA-N 1 3 303.422 0.485 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001367095572 955308263 /nfs/dbraw/zinc/30/82/63/955308263.db2.gz FLEMUSULWKMNPG-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001367198884 955452649 /nfs/dbraw/zinc/45/26/49/955452649.db2.gz BVUSEWVCANHFCU-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC(CCNC(=O)CN2CCCC2)CC1 ZINC001367213718 955466327 /nfs/dbraw/zinc/46/63/27/955466327.db2.gz MNLCYMDAMOMZTE-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC)C1 ZINC001367221361 955476609 /nfs/dbraw/zinc/47/66/09/955476609.db2.gz HILHVAKVORKVMN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC)C1 ZINC001367221361 955476621 /nfs/dbraw/zinc/47/66/21/955476621.db2.gz HILHVAKVORKVMN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNCc2ccn(C)n2)CC[N@@H+]1C ZINC001367247423 955522730 /nfs/dbraw/zinc/52/27/30/955522730.db2.gz XHURBDZEIQMFCA-VNQPRFMTSA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)CNCc2ccn(C)n2)CC[N@H+]1C ZINC001367247423 955522745 /nfs/dbraw/zinc/52/27/45/955522745.db2.gz XHURBDZEIQMFCA-VNQPRFMTSA-N 1 3 321.469 0.992 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)N1CCCCC1 ZINC001353234317 955988409 /nfs/dbraw/zinc/98/84/09/955988409.db2.gz IIHXCKFARRWDNX-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC001353279282 956002659 /nfs/dbraw/zinc/00/26/59/956002659.db2.gz VGTCXKIAOHSFMR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC001356454358 956871086 /nfs/dbraw/zinc/87/10/86/956871086.db2.gz JHROONSRJNIDAO-UONOGXRCSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001292737705 957130843 /nfs/dbraw/zinc/13/08/43/957130843.db2.gz WLNBEIRUFAOBCF-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367390551 957757375 /nfs/dbraw/zinc/75/73/75/957757375.db2.gz ZNBGJPYOJZZBBI-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1cncn1C)[NH+](C)C ZINC001367402085 957772249 /nfs/dbraw/zinc/77/22/49/957772249.db2.gz QBODEZHOSAEIFV-UKRRQHHQSA-N 1 3 309.458 0.943 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCc2cncs2)CC1 ZINC001367600957 958154803 /nfs/dbraw/zinc/15/48/03/958154803.db2.gz MATZSGSYIZUMPD-NSHDSACASA-N 1 3 312.439 0.052 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC001367623878 958205243 /nfs/dbraw/zinc/20/52/43/958205243.db2.gz MYWKYZVWSJKICG-LLVKDONJSA-N 1 3 316.352 0.373 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001367642273 958251936 /nfs/dbraw/zinc/25/19/36/958251936.db2.gz HJXDFXYKKJUPCC-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCc1nn(C)cc1C(=O)N[C@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001367674551 958330461 /nfs/dbraw/zinc/33/04/61/958330461.db2.gz DOSQPFZXVMHVRB-LLVKDONJSA-N 1 3 304.398 0.624 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)c1cnc2n1CCC2 ZINC001367674107 958331385 /nfs/dbraw/zinc/33/13/85/958331385.db2.gz FVPDYUSDBSFSSS-MNOVXSKESA-N 1 3 319.409 0.204 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001367677174 958341210 /nfs/dbraw/zinc/34/12/10/958341210.db2.gz UJKKTVOFKYBGNZ-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001298484140 958619651 /nfs/dbraw/zinc/61/96/51/958619651.db2.gz RWHUEZCFQBOTNZ-NHQLZKDQSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001298484140 958619656 /nfs/dbraw/zinc/61/96/56/958619656.db2.gz RWHUEZCFQBOTNZ-NHQLZKDQSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N1CC[C@H](N[C@H](C)CNC(=O)CCC[NH+](C)C)C1=O ZINC001376804024 958881842 /nfs/dbraw/zinc/88/18/42/958881842.db2.gz NWQZCPZLEITMPT-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N[C@H](C)C(N)=O ZINC001376822928 958921427 /nfs/dbraw/zinc/92/14/27/958921427.db2.gz OTLOYVFZWGXJBY-VXGBXAGGSA-N 1 3 306.410 0.330 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001367966784 958977818 /nfs/dbraw/zinc/97/78/18/958977818.db2.gz ANPVAESNGGCUMO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001367966784 958977836 /nfs/dbraw/zinc/97/78/36/958977836.db2.gz ANPVAESNGGCUMO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO COc1nccc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001376938650 959173149 /nfs/dbraw/zinc/17/31/49/959173149.db2.gz HUBMBAVUZVKXFH-ZDUSSCGKSA-N 1 3 321.425 0.375 20 0 DCADHO CN1CCC[C@@H](N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001368119992 959283128 /nfs/dbraw/zinc/28/31/28/959283128.db2.gz KTZVCCHJYQMZIQ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCN2C)cn1 ZINC001377009408 959304514 /nfs/dbraw/zinc/30/45/14/959304514.db2.gz FBTPJBFBXVCAEE-WFASDCNBSA-N 1 3 305.426 0.864 20 0 DCADHO COc1cncc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCN2C)n1 ZINC001377009821 959309857 /nfs/dbraw/zinc/30/98/57/959309857.db2.gz GPFXUEHFALRTRQ-JSGCOSHPSA-N 1 3 321.425 0.564 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491812556 959326900 /nfs/dbraw/zinc/32/69/00/959326900.db2.gz OLOIUVGFUFBQCQ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO Cn1ccc(CN[C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001491886323 959354668 /nfs/dbraw/zinc/35/46/68/959354668.db2.gz MPHRYGJQLVDJNQ-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001491895502 959364654 /nfs/dbraw/zinc/36/46/54/959364654.db2.gz VAEOBCRPXLTBTQ-GJZGRUSLSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001377063783 959414391 /nfs/dbraw/zinc/41/43/91/959414391.db2.gz BRDKNNOOJDQWDW-WFASDCNBSA-N 1 3 303.422 0.676 20 0 DCADHO CNC(=O)CN1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001368215869 959454401 /nfs/dbraw/zinc/45/44/01/959454401.db2.gz FXFPNZSWHQTGIU-RHSMWYFYSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001368215869 959454410 /nfs/dbraw/zinc/45/44/10/959454410.db2.gz FXFPNZSWHQTGIU-RHSMWYFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)N(C)C ZINC001368352715 959719781 /nfs/dbraw/zinc/71/97/81/959719781.db2.gz VDPRLIWTTGNNPX-QKPAOTATSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)N(C)C ZINC001368352715 959719790 /nfs/dbraw/zinc/71/97/90/959719790.db2.gz VDPRLIWTTGNNPX-QKPAOTATSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@@H]2C1 ZINC001368359116 959726131 /nfs/dbraw/zinc/72/61/31/959726131.db2.gz QICSEVUHWIXKOS-OAGGEKHMSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2C1 ZINC001368359116 959726146 /nfs/dbraw/zinc/72/61/46/959726146.db2.gz QICSEVUHWIXKOS-OAGGEKHMSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001368481120 959923787 /nfs/dbraw/zinc/92/37/87/959923787.db2.gz XQTQEHFMRMCVTB-FRRDWIJNSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(C)C)CCC1)N(C)C ZINC001368490485 959934971 /nfs/dbraw/zinc/93/49/71/959934971.db2.gz VXBGJPKSQVTDND-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001368521017 959975169 /nfs/dbraw/zinc/97/51/69/959975169.db2.gz JCMDWSZTFPYNCG-FQUUOJAGSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001368606110 960081873 /nfs/dbraw/zinc/08/18/73/960081873.db2.gz KZPKPMWFNDWSHH-GBOPCIDUSA-N 1 3 324.469 0.478 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cncn1C)N(C)C ZINC001377514341 960210960 /nfs/dbraw/zinc/21/09/60/960210960.db2.gz XCMDWHYFRRHKSQ-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO CC[C@H]([NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001368808861 960302930 /nfs/dbraw/zinc/30/29/30/960302930.db2.gz OJLNKDCGYNGIIB-BPCQOVAHSA-N 1 3 310.442 0.219 20 0 DCADHO COCCOCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001316802015 960337784 /nfs/dbraw/zinc/33/77/84/960337784.db2.gz UZJVCBGGROMTTN-ILXRZTDVSA-N 1 3 313.442 0.180 20 0 DCADHO COCCOCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001316802015 960337792 /nfs/dbraw/zinc/33/77/92/960337792.db2.gz UZJVCBGGROMTTN-ILXRZTDVSA-N 1 3 313.442 0.180 20 0 DCADHO C[C@@H]([NH2+]CCn1cccn1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001368839814 960341588 /nfs/dbraw/zinc/34/15/88/960341588.db2.gz KIYKIKOPRMCNAK-KGLIPLIRSA-N 1 3 307.442 0.850 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)CN(C)CC(C)(C)C ZINC001363047891 960343101 /nfs/dbraw/zinc/34/31/01/960343101.db2.gz ZJANEOLUEAOBGU-UHFFFAOYSA-N 1 3 300.491 0.964 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001377614312 960356372 /nfs/dbraw/zinc/35/63/72/960356372.db2.gz QEYGHHBIIXTLLF-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001377636736 960379535 /nfs/dbraw/zinc/37/95/35/960379535.db2.gz FJKLVMKOTORLPI-ZIAGYGMSSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001377636736 960379544 /nfs/dbraw/zinc/37/95/44/960379544.db2.gz FJKLVMKOTORLPI-ZIAGYGMSSA-N 1 3 303.422 0.581 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCn2cncn2)C1)N(C)C ZINC001377757834 960584900 /nfs/dbraw/zinc/58/49/00/960584900.db2.gz IINYXMIPXZCMEJ-CABCVRRESA-N 1 3 322.457 0.399 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCn2cncn2)C1)N(C)C ZINC001377757834 960584918 /nfs/dbraw/zinc/58/49/18/960584918.db2.gz IINYXMIPXZCMEJ-CABCVRRESA-N 1 3 322.457 0.399 20 0 DCADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)NCC(N)=O ZINC001378339252 960615991 /nfs/dbraw/zinc/61/59/91/960615991.db2.gz LHMVPJMWDXNQIJ-HIFRSBDPSA-N 1 3 312.458 0.467 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)CCN1CC[C@H](F)C1 ZINC001363231435 960654158 /nfs/dbraw/zinc/65/41/58/960654158.db2.gz MZZORSOEFBMEOW-AWEZNQCLSA-N 1 3 302.438 0.420 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001378437713 960754211 /nfs/dbraw/zinc/75/42/11/960754211.db2.gz IRGWTGSSHRIFKF-MGPQQGTHSA-N 1 3 324.469 0.752 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001430199361 1013236926 /nfs/dbraw/zinc/23/69/26/1013236926.db2.gz ZEXIBEUANZIECQ-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001430199361 1013236935 /nfs/dbraw/zinc/23/69/35/1013236935.db2.gz ZEXIBEUANZIECQ-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C[C@@H]3CCC[NH2+]CC3)C2)nn1 ZINC001549047275 1013247710 /nfs/dbraw/zinc/24/77/10/1013247710.db2.gz NCPSWIVXUSJOML-HIFRSBDPSA-N 1 3 320.441 0.680 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C[C@H]3CCC[NH2+]CC3)C2)nn1 ZINC001549047277 1013248029 /nfs/dbraw/zinc/24/80/29/1013248029.db2.gz NCPSWIVXUSJOML-ZFWWWQNUSA-N 1 3 320.441 0.680 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)N(C)C(=O)CN(C)C1CCC1 ZINC001378775704 961454082 /nfs/dbraw/zinc/45/40/82/961454082.db2.gz NCMWKYANJLVMDK-CHWSQXEVSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCCC1 ZINC001378896002 961672794 /nfs/dbraw/zinc/67/27/94/961672794.db2.gz TZWIOSCCLULEKS-CQSZACIVSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001378920277 961712582 /nfs/dbraw/zinc/71/25/82/961712582.db2.gz UHDAYXAZYPMGEU-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001378968115 961779610 /nfs/dbraw/zinc/77/96/10/961779610.db2.gz XGUWZINFQHGRQT-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001378980864 961802007 /nfs/dbraw/zinc/80/20/07/961802007.db2.gz NAOPVTHZTPWUKC-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001378980864 961802023 /nfs/dbraw/zinc/80/20/23/961802023.db2.gz NAOPVTHZTPWUKC-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001447155964 1013287192 /nfs/dbraw/zinc/28/71/92/1013287192.db2.gz FXHAROPUNZFDNQ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001447155964 1013287198 /nfs/dbraw/zinc/28/71/98/1013287198.db2.gz FXHAROPUNZFDNQ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001379765498 961980640 /nfs/dbraw/zinc/98/06/40/961980640.db2.gz HPBYTFYOCCYFKV-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001379765498 961980654 /nfs/dbraw/zinc/98/06/54/961980654.db2.gz HPBYTFYOCCYFKV-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001379907936 962267832 /nfs/dbraw/zinc/26/78/32/962267832.db2.gz UPHLWVCWKXJMRM-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO CCCC[C@@H](NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC001380159393 962794793 /nfs/dbraw/zinc/79/47/93/962794793.db2.gz WFJVNZVTEUILBG-CYBMUJFWSA-N 1 3 322.453 0.365 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@H]2CCOC2)CC1 ZINC001380163679 962804325 /nfs/dbraw/zinc/80/43/25/962804325.db2.gz NDMZWKIOZWCEHG-ZDUSSCGKSA-N 1 3 306.410 0.926 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001380293693 963006743 /nfs/dbraw/zinc/00/67/43/963006743.db2.gz QOTSBBWAWQPRNL-AWEZNQCLSA-N 1 3 322.457 0.720 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001380293693 963006753 /nfs/dbraw/zinc/00/67/53/963006753.db2.gz QOTSBBWAWQPRNL-AWEZNQCLSA-N 1 3 322.457 0.720 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)N1CCCC1)[NH+](C)C ZINC001379518375 963113742 /nfs/dbraw/zinc/11/37/42/963113742.db2.gz GJASLYKKWYBPSG-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001379530984 963141651 /nfs/dbraw/zinc/14/16/51/963141651.db2.gz VLWIYZDYNJVMCB-HOTGVXAUSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001379530984 963141657 /nfs/dbraw/zinc/14/16/57/963141657.db2.gz VLWIYZDYNJVMCB-HOTGVXAUSA-N 1 3 305.422 0.513 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2cnns2)C1 ZINC001379677863 963376082 /nfs/dbraw/zinc/37/60/82/963376082.db2.gz OJRMDMWYBBAPBS-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001380939970 963697852 /nfs/dbraw/zinc/69/78/52/963697852.db2.gz RIPJKTIMZNGQCH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001380939970 963697855 /nfs/dbraw/zinc/69/78/55/963697855.db2.gz RIPJKTIMZNGQCH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1NCC(N)=O ZINC001381110679 963823004 /nfs/dbraw/zinc/82/30/04/963823004.db2.gz XTBZESLQZVZPQX-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1NCC(N)=O ZINC001381110679 963823007 /nfs/dbraw/zinc/82/30/07/963823007.db2.gz XTBZESLQZVZPQX-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC2CCC2)CC1 ZINC001381152773 963849063 /nfs/dbraw/zinc/84/90/63/963849063.db2.gz CXDKJYWDUPULNF-OAHLLOKOSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001375131985 964022940 /nfs/dbraw/zinc/02/29/40/964022940.db2.gz GJNGJIHZTDBLEQ-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001375131985 964022951 /nfs/dbraw/zinc/02/29/51/964022951.db2.gz GJNGJIHZTDBLEQ-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001368877718 964085641 /nfs/dbraw/zinc/08/56/41/964085641.db2.gz UYNNWAFUBVZTRE-RYUDHWBXSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001368877718 964085654 /nfs/dbraw/zinc/08/56/54/964085654.db2.gz UYNNWAFUBVZTRE-RYUDHWBXSA-N 1 3 312.458 0.608 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCn2cncn2)C1 ZINC001447571773 1013471568 /nfs/dbraw/zinc/47/15/68/1013471568.db2.gz TWRIDKBUZLWEEA-KGLIPLIRSA-N 1 3 308.430 0.055 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001375215304 964135754 /nfs/dbraw/zinc/13/57/54/964135754.db2.gz QFLPKZZPXQOQSC-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001375274590 964197047 /nfs/dbraw/zinc/19/70/47/964197047.db2.gz TXDOUOIIYFTMRC-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001375274590 964197054 /nfs/dbraw/zinc/19/70/54/964197054.db2.gz TXDOUOIIYFTMRC-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CN1CCC[C@H](NC2(CNC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001375468952 964441271 /nfs/dbraw/zinc/44/12/71/964441271.db2.gz FJGSUEOLVLKCKT-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001375493238 964473176 /nfs/dbraw/zinc/47/31/76/964473176.db2.gz OEUGRLMSQFESBY-XQLPTFJDSA-N 1 3 324.469 0.478 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C1)C1CCC1 ZINC001369170539 964482845 /nfs/dbraw/zinc/48/28/45/964482845.db2.gz ZYWBZYGDFTZZGD-MGPQQGTHSA-N 1 3 322.453 0.173 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C1)C1CCC1 ZINC001369170539 964482853 /nfs/dbraw/zinc/48/28/53/964482853.db2.gz ZYWBZYGDFTZZGD-MGPQQGTHSA-N 1 3 322.453 0.173 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001369172616 964486116 /nfs/dbraw/zinc/48/61/16/964486116.db2.gz CMFDLDRBCMMMMG-YDHLFZDLSA-N 1 3 307.442 0.745 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1cnnn1C ZINC001373759786 964583960 /nfs/dbraw/zinc/58/39/60/964583960.db2.gz LXHFANDJROIPAR-HIFRSBDPSA-N 1 3 322.457 0.674 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)NCc1cnnn1C ZINC001373759786 964583973 /nfs/dbraw/zinc/58/39/73/964583973.db2.gz LXHFANDJROIPAR-HIFRSBDPSA-N 1 3 322.457 0.674 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001369290454 964663976 /nfs/dbraw/zinc/66/39/76/964663976.db2.gz IGFFGCMRPWYAPH-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CCN1CC[C@H](NC[C@H]2CCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001373965505 964829204 /nfs/dbraw/zinc/82/92/04/964829204.db2.gz GFBJZSDJIVSPOP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@H](NCc2cncn2C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369394917 964891872 /nfs/dbraw/zinc/89/18/72/964891872.db2.gz BRLWUZUFALZTDN-KGLIPLIRSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+][C@@H]1CCNC1=O ZINC001374018788 964896693 /nfs/dbraw/zinc/89/66/93/964896693.db2.gz ZYUXKNJAKQQMLU-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C(C)(C)C1 ZINC001369438825 964974847 /nfs/dbraw/zinc/97/48/47/964974847.db2.gz DBGKPKXPOLCHSJ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C(C)(C)C1 ZINC001369438825 964974862 /nfs/dbraw/zinc/97/48/62/964974862.db2.gz DBGKPKXPOLCHSJ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncsc1CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001369480793 965050369 /nfs/dbraw/zinc/05/03/69/965050369.db2.gz FPRNGFUADPNAIO-GFCCVEGCSA-N 1 3 314.455 0.312 20 0 DCADHO C[C@@H](O)CN1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001376068429 965154738 /nfs/dbraw/zinc/15/47/38/965154738.db2.gz JBQDEYZZYATILR-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C)C(N)=O ZINC001369550745 965163147 /nfs/dbraw/zinc/16/31/47/965163147.db2.gz UYLJJLXGGCNFAR-RYUDHWBXSA-N 1 3 312.458 0.465 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001447798170 1013550825 /nfs/dbraw/zinc/55/08/25/1013550825.db2.gz OXKACEJCZARDOC-UHFFFAOYSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCCF)C1)N(C)C ZINC001376086983 965175084 /nfs/dbraw/zinc/17/50/84/965175084.db2.gz CANMFSQFSHNAJS-UKRRQHHQSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1)N(C)C ZINC001376086983 965175091 /nfs/dbraw/zinc/17/50/91/965175091.db2.gz CANMFSQFSHNAJS-UKRRQHHQSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374277827 965216947 /nfs/dbraw/zinc/21/69/47/965216947.db2.gz QZEMIDLFBJOUTE-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)CCC[NH+](C)C ZINC001374289424 965233932 /nfs/dbraw/zinc/23/39/32/965233932.db2.gz WFLKKLJGWYMVHR-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303289 965253912 /nfs/dbraw/zinc/25/39/12/965253912.db2.gz IPYDWCWHDZETEN-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001374353434 965308131 /nfs/dbraw/zinc/30/81/31/965308131.db2.gz DORCFDUSRNKFTI-AWEZNQCLSA-N 1 3 312.458 0.324 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001376262660 965453025 /nfs/dbraw/zinc/45/30/25/965453025.db2.gz PDQLHRIEYULSIY-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001376262660 965453029 /nfs/dbraw/zinc/45/30/29/965453029.db2.gz PDQLHRIEYULSIY-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001430552694 1013577978 /nfs/dbraw/zinc/57/79/78/1013577978.db2.gz PJMKJZXDNISRCZ-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001430552694 1013577986 /nfs/dbraw/zinc/57/79/86/1013577986.db2.gz PJMKJZXDNISRCZ-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)NCC)C2)C1 ZINC001376331168 965531326 /nfs/dbraw/zinc/53/13/26/965531326.db2.gz IKERYDXOXKKCSF-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)NCC)C2)C1 ZINC001376331168 965531328 /nfs/dbraw/zinc/53/13/28/965531328.db2.gz IKERYDXOXKKCSF-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001376354137 965560050 /nfs/dbraw/zinc/56/00/50/965560050.db2.gz VUWRLEUEBDNMQC-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001374600097 965615092 /nfs/dbraw/zinc/61/50/92/965615092.db2.gz LZJXQFUIDACDMO-HZPDHXFCSA-N 1 3 320.437 0.521 20 0 DCADHO O=C(NC[C@@H](O)CNCc1ccccn1)C12CCC[NH+]1CCC2 ZINC001374625325 965660101 /nfs/dbraw/zinc/66/01/01/965660101.db2.gz QSFLJJMTIZGTRI-HNNXBMFYSA-N 1 3 318.421 0.277 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001374670881 965734882 /nfs/dbraw/zinc/73/48/82/965734882.db2.gz VRLGFBDEBYNVDG-OAHLLOKOSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001374670881 965734891 /nfs/dbraw/zinc/73/48/91/965734891.db2.gz VRLGFBDEBYNVDG-OAHLLOKOSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001376546789 965812302 /nfs/dbraw/zinc/81/23/02/965812302.db2.gz LYVSYKMSAJBGHV-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001376583280 965856577 /nfs/dbraw/zinc/85/65/77/965856577.db2.gz YFWSYLQQRKTCOT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001374748798 965859517 /nfs/dbraw/zinc/85/95/17/965859517.db2.gz GBFXOTXJMPTWCD-ZIAGYGMSSA-N 1 3 314.474 0.487 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001374831218 966001872 /nfs/dbraw/zinc/00/18/72/966001872.db2.gz VZONLGMHQYILPF-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C)N(C)C ZINC001374940792 966160743 /nfs/dbraw/zinc/16/07/43/966160743.db2.gz WPBGKUTVOMOKLO-IHRRRGAJSA-N 1 3 310.442 0.090 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001370558823 966240133 /nfs/dbraw/zinc/24/01/33/966240133.db2.gz BQDAOQMNZVEVJC-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001370713032 966407738 /nfs/dbraw/zinc/40/77/38/966407738.db2.gz MWZBMVLQKPRBJA-RQJABVFESA-N 1 3 310.442 0.040 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(C)(C)C)[NH+](C)C ZINC001371212464 966819724 /nfs/dbraw/zinc/81/97/24/966819724.db2.gz MPRZLELDWKUYGK-OCCSQVGLSA-N 1 3 314.474 0.582 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001371308734 966889226 /nfs/dbraw/zinc/88/92/26/966889226.db2.gz QFSFNUKDYZQLJV-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001382137789 966972971 /nfs/dbraw/zinc/97/29/71/966972971.db2.gz KMUAIDQCYOGJOB-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001382317594 967209823 /nfs/dbraw/zinc/20/98/23/967209823.db2.gz SYSCLUFKKWJRNG-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001382354067 967254053 /nfs/dbraw/zinc/25/40/53/967254053.db2.gz QIKBDRKFOAQTKQ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC1CC1 ZINC001382370043 967281759 /nfs/dbraw/zinc/28/17/59/967281759.db2.gz QWWKHHRJONCJFD-TZMCWYRMSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC1CC1 ZINC001382370040 967282339 /nfs/dbraw/zinc/28/23/39/967282339.db2.gz QWWKHHRJONCJFD-OCCSQVGLSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCN2C)cn1 ZINC001371735125 967295725 /nfs/dbraw/zinc/29/57/25/967295725.db2.gz RNPITZHHRLDYIJ-WFASDCNBSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001382437165 967372657 /nfs/dbraw/zinc/37/26/57/967372657.db2.gz ULHHOVZKNGPEBE-LSDHHAIUSA-N 1 3 308.426 0.331 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001382437149 967373520 /nfs/dbraw/zinc/37/35/20/967373520.db2.gz ULHHOVZKNGPEBE-CABCVRRESA-N 1 3 308.426 0.331 20 0 DCADHO CC[C@@H](C(=O)N1CCC(NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001372148766 967684255 /nfs/dbraw/zinc/68/42/55/967684255.db2.gz XDPWEZUPIVTOTB-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448087467 1013744146 /nfs/dbraw/zinc/74/41/46/1013744146.db2.gz JPMYIIDIKHWIMT-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448087467 1013744150 /nfs/dbraw/zinc/74/41/50/1013744150.db2.gz JPMYIIDIKHWIMT-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001372479000 968023009 /nfs/dbraw/zinc/02/30/09/968023009.db2.gz FLJMNQNPKNGNDJ-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001372489986 968037256 /nfs/dbraw/zinc/03/72/56/968037256.db2.gz ZTOVIYQBSVQYOV-SOUVJXGZSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001372489986 968037264 /nfs/dbraw/zinc/03/72/64/968037264.db2.gz ZTOVIYQBSVQYOV-SOUVJXGZSA-N 1 3 324.469 0.241 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001372672046 968235913 /nfs/dbraw/zinc/23/59/13/968235913.db2.gz PCYWBZQZLZYGBT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001372672046 968235920 /nfs/dbraw/zinc/23/59/20/968235920.db2.gz PCYWBZQZLZYGBT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@H]2CCNC2=O)CC1 ZINC001372989907 968602999 /nfs/dbraw/zinc/60/29/99/968602999.db2.gz WFAZZRUXPALYND-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001372995986 968608346 /nfs/dbraw/zinc/60/83/46/968608346.db2.gz XGKZYEIHCYEXBD-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@H]1CCN(C)C1=O ZINC001373296067 968912183 /nfs/dbraw/zinc/91/21/83/968912183.db2.gz YIZRODUWKZVQAD-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](O)CCCN1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001448331652 1013874196 /nfs/dbraw/zinc/87/41/96/1013874196.db2.gz VDKOTZVNMJUIPN-KGLIPLIRSA-N 1 3 311.470 0.926 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+][C@H]2CCNC2=O)C2CC2)CCC1 ZINC001448587668 1013958311 /nfs/dbraw/zinc/95/83/11/1013958311.db2.gz CSXQWNOPRPMUOM-KBPBESRZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](NC[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001448598819 1013963101 /nfs/dbraw/zinc/96/31/01/1013963101.db2.gz XDAKUZZITXEPCT-BXUZGUMPSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H](NC[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001448598820 1013964025 /nfs/dbraw/zinc/96/40/25/1013964025.db2.gz XDAKUZZITXEPCT-FZMZJTMJSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H](CN(C)C(=O)c1ccccc1CC[NH+](C)C)NCC(N)=O ZINC001448710668 1014006808 /nfs/dbraw/zinc/00/68/08/1014006808.db2.gz JKGCNEYUMOZSQF-CYBMUJFWSA-N 1 3 320.437 0.326 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccnn1C ZINC001448741104 1014018446 /nfs/dbraw/zinc/01/84/46/1014018446.db2.gz VFRSMZPBBXMQPM-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001431383566 1014023843 /nfs/dbraw/zinc/02/38/43/1014023843.db2.gz ATBMZBMIIDAHMJ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)[C@H]1C ZINC001448981297 1014117147 /nfs/dbraw/zinc/11/71/47/1014117147.db2.gz VYKNVSSEJSAJDJ-ZBFHGGJFSA-N 1 3 321.469 0.882 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)[C@@H]1C ZINC001448987978 1014120325 /nfs/dbraw/zinc/12/03/25/1014120325.db2.gz YYJJSVVCVWNEFR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@H]2[NH3+])cn1 ZINC001549051088 1014125128 /nfs/dbraw/zinc/12/51/28/1014125128.db2.gz SGBIHPDVNSLODP-JKSUJKDBSA-N 1 3 311.389 0.590 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549074404 1014130250 /nfs/dbraw/zinc/13/02/50/1014130250.db2.gz WFTBWIGJPZBPPH-AYRXBEOTSA-N 1 3 305.426 0.546 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC001449096233 1014186901 /nfs/dbraw/zinc/18/69/01/1014186901.db2.gz ZTCWQCIFRGUNQP-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CC(=O)N(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001528172687 1014221376 /nfs/dbraw/zinc/22/13/76/1014221376.db2.gz NOAPBAGBTYVXHU-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC1CCN(CC(=O)N(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001528172687 1014221387 /nfs/dbraw/zinc/22/13/87/1014221387.db2.gz NOAPBAGBTYVXHU-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO Cc1c([C@@H]2CN(CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C(N)=O)cnn1C ZINC001549530338 1014299459 /nfs/dbraw/zinc/29/94/59/1014299459.db2.gz VVZXMTWAXZAVBB-KBMXLJTQSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2CN(CC[C@H]3CCC[N@H+]3C)C[C@@H]2C(N)=O)cnn1C ZINC001549530338 1014299469 /nfs/dbraw/zinc/29/94/69/1014299469.db2.gz VVZXMTWAXZAVBB-KBMXLJTQSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2C[N@H+](CC[C@H]3CCCN3C)C[C@@H]2C(N)=O)cnn1C ZINC001549530338 1014299472 /nfs/dbraw/zinc/29/94/72/1014299472.db2.gz VVZXMTWAXZAVBB-KBMXLJTQSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2C[N@@H+](CC[C@H]3CCCN3C)C[C@@H]2C(N)=O)cnn1C ZINC001549530338 1014299480 /nfs/dbraw/zinc/29/94/80/1014299480.db2.gz VVZXMTWAXZAVBB-KBMXLJTQSA-N 1 3 319.453 0.714 20 0 DCADHO CCN1CCN(CCC(=O)Nc2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC001549728951 1014428559 /nfs/dbraw/zinc/42/85/59/1014428559.db2.gz CSDWQTOOQOVIJT-CYBMUJFWSA-N 1 3 320.441 0.453 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCCO)C1 ZINC001449374063 1014442398 /nfs/dbraw/zinc/44/23/98/1014442398.db2.gz YXOPIDLXEGZVLM-QWRGUYRKSA-N 1 3 311.348 0.299 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CCC[C@H]1C ZINC001449393238 1014454003 /nfs/dbraw/zinc/45/40/03/1014454003.db2.gz QCEWTOPPEVQEAT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCC[C@H]1C ZINC001449393238 1014454010 /nfs/dbraw/zinc/45/40/10/1014454010.db2.gz QCEWTOPPEVQEAT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550063431 1014542889 /nfs/dbraw/zinc/54/28/89/1014542889.db2.gz RPRMCQCRIBRZIJ-UKRRQHHQSA-N 1 3 321.425 0.237 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CC23CC[NH2+]CC3)CC1 ZINC001550085421 1014556994 /nfs/dbraw/zinc/55/69/94/1014556994.db2.gz HMIMFBZLTVLSOG-OAHLLOKOSA-N 1 3 308.470 0.520 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC001550198732 1014623057 /nfs/dbraw/zinc/62/30/57/1014623057.db2.gz OOISKGWYVYCMQJ-AWEZNQCLSA-N 1 3 322.453 0.318 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001449679970 1014629531 /nfs/dbraw/zinc/62/95/31/1014629531.db2.gz MJIYTFNBFJCVJU-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001550282741 1014649682 /nfs/dbraw/zinc/64/96/82/1014649682.db2.gz RKUKCKZRCVLCFZ-DKUMPPAJSA-N 1 3 310.442 0.489 20 0 DCADHO C[C@]12C[NH2+]C[C@@H]1CN(C(=O)NC[C@H]1Cc3ccccc3CN1)C2 ZINC001550289942 1014652756 /nfs/dbraw/zinc/65/27/56/1014652756.db2.gz NXJJEJKWMZTDFK-JFIYKMOQSA-N 1 3 314.433 0.952 20 0 DCADHO CCN1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550764155 1014853119 /nfs/dbraw/zinc/85/31/19/1014853119.db2.gz ZPALBLHYSSTIBE-CABCVRRESA-N 1 3 324.469 0.929 20 0 DCADHO Cc1nnsc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913904 1014910875 /nfs/dbraw/zinc/91/08/75/1014910875.db2.gz QLNWYLCVCOXYOZ-BXUZGUMPSA-N 1 3 309.439 0.583 20 0 DCADHO COc1cc(CN[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)sn1 ZINC001550934811 1014917517 /nfs/dbraw/zinc/91/75/17/1014917517.db2.gz JPYVMNCNFIBZTI-WFASDCNBSA-N 1 3 324.450 0.888 20 0 DCADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001551461956 1015096254 /nfs/dbraw/zinc/09/62/54/1015096254.db2.gz SGZRYURUDSNYRO-GJZGRUSLSA-N 1 3 323.437 0.221 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001450389896 1015109685 /nfs/dbraw/zinc/10/96/85/1015109685.db2.gz CICFBIGIMPCZQT-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001450389896 1015109691 /nfs/dbraw/zinc/10/96/91/1015109691.db2.gz CICFBIGIMPCZQT-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551560756 1015137874 /nfs/dbraw/zinc/13/78/74/1015137874.db2.gz OIJXCPKTRJACLX-LFSVMHDDSA-N 1 3 320.359 0.920 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001525507173 1015152558 /nfs/dbraw/zinc/15/25/58/1015152558.db2.gz WSEWVRRUULBGHT-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385264871 986196718 /nfs/dbraw/zinc/19/67/18/986196718.db2.gz XTOPWZLXZRILLV-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385264871 986196721 /nfs/dbraw/zinc/19/67/21/986196721.db2.gz XTOPWZLXZRILLV-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385296088 986224648 /nfs/dbraw/zinc/22/46/48/986224648.db2.gz HCCJGDWTBRTUHU-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001385465141 986365905 /nfs/dbraw/zinc/36/59/05/986365905.db2.gz JWHHANBVLKXSPC-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001385706896 986536773 /nfs/dbraw/zinc/53/67/73/986536773.db2.gz XBYGGQCTRKZULK-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386314421 987065238 /nfs/dbraw/zinc/06/52/38/987065238.db2.gz QUHJNQSLMIERDW-FQUUOJAGSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386314421 987065247 /nfs/dbraw/zinc/06/52/47/987065247.db2.gz QUHJNQSLMIERDW-FQUUOJAGSA-N 1 3 310.442 0.042 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001450679985 1015293847 /nfs/dbraw/zinc/29/38/47/1015293847.db2.gz SORSHDAOOVKNPY-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001450679985 1015293855 /nfs/dbraw/zinc/29/38/55/1015293855.db2.gz SORSHDAOOVKNPY-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001387025317 987569238 /nfs/dbraw/zinc/56/92/38/987569238.db2.gz BWUNJCYNZBTWNO-KGLIPLIRSA-N 1 3 314.474 0.487 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1)[NH+](C)C ZINC001387745105 988111815 /nfs/dbraw/zinc/11/18/15/988111815.db2.gz RDINWJJUHBWOOC-BBRMVZONSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001388184662 988124628 /nfs/dbraw/zinc/12/46/28/988124628.db2.gz GMYVFSRVQKAJHH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001387987697 988359382 /nfs/dbraw/zinc/35/93/82/988359382.db2.gz DKJPFSMONGOBIE-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001388682900 988508092 /nfs/dbraw/zinc/50/80/92/988508092.db2.gz TVTNAOFHSNAFKJ-SCRDCRAPSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001388700649 988524821 /nfs/dbraw/zinc/52/48/21/988524821.db2.gz XXNPCOUNUWYWBV-LXTVHRRPSA-N 1 3 324.469 0.336 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001388723701 988540857 /nfs/dbraw/zinc/54/08/57/988540857.db2.gz XPIPPMHBXKNDKK-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001389242115 989020401 /nfs/dbraw/zinc/02/04/01/989020401.db2.gz PZXJUIQDHORZFO-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001389242115 989020408 /nfs/dbraw/zinc/02/04/08/989020408.db2.gz PZXJUIQDHORZFO-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001389255829 989038311 /nfs/dbraw/zinc/03/83/11/989038311.db2.gz LZKMBJZNYLKMJJ-CYBMUJFWSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001389255829 989038326 /nfs/dbraw/zinc/03/83/26/989038326.db2.gz LZKMBJZNYLKMJJ-CYBMUJFWSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001389399486 989199487 /nfs/dbraw/zinc/19/94/87/989199487.db2.gz OVEUEDDQECJYIV-IHRRRGAJSA-N 1 3 314.474 0.534 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](NCc1ccnn1C)C1CC1)[NH+](C)C ZINC001389617151 989434911 /nfs/dbraw/zinc/43/49/11/989434911.db2.gz VGZKOFKYPCXGLZ-CVEARBPZSA-N 1 3 321.469 0.991 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001389695958 989497484 /nfs/dbraw/zinc/49/74/84/989497484.db2.gz TWEYIVKCHHVEIL-UKRRQHHQSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389695958 989497491 /nfs/dbraw/zinc/49/74/91/989497491.db2.gz TWEYIVKCHHVEIL-UKRRQHHQSA-N 1 3 305.426 0.356 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001389798283 989588074 /nfs/dbraw/zinc/58/80/74/989588074.db2.gz PYNIOZGFMZEHPU-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CCCC1 ZINC001390473402 990131705 /nfs/dbraw/zinc/13/17/05/990131705.db2.gz DIYVKGQQTFMUTR-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001552841180 1015549422 /nfs/dbraw/zinc/54/94/22/1015549422.db2.gz MIWXMKCOGFHDKA-RRFJBIMHSA-N 1 3 323.824 0.748 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001390649286 990275673 /nfs/dbraw/zinc/27/56/73/990275673.db2.gz UPKLUGRVTGBQNJ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)c1cccc2c1CNC2 ZINC001552925146 1015564327 /nfs/dbraw/zinc/56/43/27/1015564327.db2.gz HEUJGOCKXZIOKE-UHFFFAOYSA-N 1 3 324.388 0.742 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001391199985 990662363 /nfs/dbraw/zinc/66/23/63/990662363.db2.gz IGSJTLCDDZQPCP-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001391199985 990662367 /nfs/dbraw/zinc/66/23/67/990662367.db2.gz IGSJTLCDDZQPCP-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001391626093 991031931 /nfs/dbraw/zinc/03/19/31/991031931.db2.gz WWDJXXZCJHLHLN-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+][C@@H](C)C(N)=O ZINC001391886887 991261845 /nfs/dbraw/zinc/26/18/45/991261845.db2.gz KQTWFDMYDKLCIG-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)CNCc1cn(C)nn1)[NH+](C)C ZINC001391899959 991278320 /nfs/dbraw/zinc/27/83/20/991278320.db2.gz OKLYLIQSDAGUHY-OCCSQVGLSA-N 1 3 310.446 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)CNCc1nccn1C)[NH+](C)C ZINC001391950776 991320032 /nfs/dbraw/zinc/32/00/32/991320032.db2.gz OSGQPKQEBXTSOC-ZFWWWQNUSA-N 1 3 309.458 0.848 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CCCC1)N(C)C ZINC001392025115 991405686 /nfs/dbraw/zinc/40/56/86/991405686.db2.gz WAKXENGLIJMRJY-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2cncc(F)c2)C1 ZINC001392403525 991880053 /nfs/dbraw/zinc/88/00/53/991880053.db2.gz VHPPZYQYNGRMKB-IUODEOHRSA-N 1 3 324.400 0.129 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCc1ccccn1)[NH+](C)C ZINC001392421737 991906814 /nfs/dbraw/zinc/90/68/14/991906814.db2.gz MWXAXDOBRVCJHG-LSDHHAIUSA-N 1 3 308.426 0.235 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001392425124 991912474 /nfs/dbraw/zinc/91/24/74/991912474.db2.gz OXWGQXVZHHLOHI-AWEZNQCLSA-N 1 3 318.421 0.053 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392426496 991914575 /nfs/dbraw/zinc/91/45/75/991914575.db2.gz YWARZEJWBBVZJJ-HOCLYGCPSA-N 1 3 322.453 0.543 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001392448004 991942048 /nfs/dbraw/zinc/94/20/48/991942048.db2.gz BQNCAVTZCFJKHE-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001392458131 991954134 /nfs/dbraw/zinc/95/41/34/991954134.db2.gz INCGSXWGBLQVBZ-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001392458128 991954454 /nfs/dbraw/zinc/95/44/54/991954454.db2.gz INCGSXWGBLQVBZ-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001392572462 992112932 /nfs/dbraw/zinc/11/29/32/992112932.db2.gz QTNDWBZDYFASBM-GXTWGEPZSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001392572462 992112937 /nfs/dbraw/zinc/11/29/37/992112937.db2.gz QTNDWBZDYFASBM-GXTWGEPZSA-N 1 3 324.469 0.622 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001392608675 992155825 /nfs/dbraw/zinc/15/58/25/992155825.db2.gz RCPGFXSTGCYGQH-LBPRGKRZSA-N 1 3 303.410 0.475 20 0 DCADHO Cc1ncc(CNC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)cn1 ZINC001392787263 992395981 /nfs/dbraw/zinc/39/59/81/992395981.db2.gz GDNLTGGZQGMJFO-OAHLLOKOSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001392876965 992489766 /nfs/dbraw/zinc/48/97/66/992489766.db2.gz MOEUUCOTENAIBE-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001393326269 992882451 /nfs/dbraw/zinc/88/24/51/992882451.db2.gz IOQZLCORTCXACB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001393326269 992882454 /nfs/dbraw/zinc/88/24/54/992882454.db2.gz IOQZLCORTCXACB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCn2cncn2)C1 ZINC001393400116 992946674 /nfs/dbraw/zinc/94/66/74/992946674.db2.gz VUSGTRJKWXRNDS-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001393403444 992949241 /nfs/dbraw/zinc/94/92/41/992949241.db2.gz ZKAWNDHBLIJOTP-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)N2CCC2)CCC1)N(C)C ZINC001393546276 993070401 /nfs/dbraw/zinc/07/04/01/993070401.db2.gz JNDXAFPZJVJLSP-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC(=O)N2CCC2)CC1 ZINC001393746675 993220592 /nfs/dbraw/zinc/22/05/92/993220592.db2.gz IWUKETVROMDDPR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1CCn1cncn1 ZINC001393781187 993248572 /nfs/dbraw/zinc/24/85/72/993248572.db2.gz FMPZLIPEFPNHKI-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001393857445 993300477 /nfs/dbraw/zinc/30/04/77/993300477.db2.gz AOJMKEZLJOKUJO-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001393857445 993300484 /nfs/dbraw/zinc/30/04/84/993300484.db2.gz AOJMKEZLJOKUJO-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCC(=O)NCC1CC1)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001393983509 993391663 /nfs/dbraw/zinc/39/16/63/993391663.db2.gz ZQUUODYYNARVCI-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001394009405 993408793 /nfs/dbraw/zinc/40/87/93/993408793.db2.gz WLWZWHHYFNOSCJ-YMAMQOFZSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001394023053 993415502 /nfs/dbraw/zinc/41/55/02/993415502.db2.gz WQCWZPHZHQTDNO-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001394023053 993415507 /nfs/dbraw/zinc/41/55/07/993415507.db2.gz WQCWZPHZHQTDNO-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001394298144 993604972 /nfs/dbraw/zinc/60/49/72/993604972.db2.gz DOAYMMZWKYMIQQ-FPCVCCKLSA-N 1 3 323.481 0.926 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001394298144 993604976 /nfs/dbraw/zinc/60/49/76/993604976.db2.gz DOAYMMZWKYMIQQ-FPCVCCKLSA-N 1 3 323.481 0.926 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001394392980 993676149 /nfs/dbraw/zinc/67/61/49/993676149.db2.gz ANLQZJRVOAQUIC-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NCC1CCC1 ZINC001394467239 993734664 /nfs/dbraw/zinc/73/46/64/993734664.db2.gz ODVIRVRUENMKLD-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CCc1ccnn1C ZINC001399765991 993751862 /nfs/dbraw/zinc/75/18/62/993751862.db2.gz MSDAVWPFPFEULX-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CCc1ccnn1C ZINC001399765991 993751870 /nfs/dbraw/zinc/75/18/70/993751870.db2.gz MSDAVWPFPFEULX-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001394495089 993765752 /nfs/dbraw/zinc/76/57/52/993765752.db2.gz IPRFFGSYDFZIID-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001394516385 993790987 /nfs/dbraw/zinc/79/09/87/993790987.db2.gz CYQBRIHUAFGSPT-NWDGAFQWSA-N 1 3 322.457 0.952 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001400035266 994080342 /nfs/dbraw/zinc/08/03/42/994080342.db2.gz YWRCBZBDTDVZSW-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001400035266 994080350 /nfs/dbraw/zinc/08/03/50/994080350.db2.gz YWRCBZBDTDVZSW-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001400077415 994137056 /nfs/dbraw/zinc/13/70/56/994137056.db2.gz ASZBNHOGAKHPGN-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001394859632 994221588 /nfs/dbraw/zinc/22/15/88/994221588.db2.gz GZHIMEYJVOKRSC-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001400237071 994322152 /nfs/dbraw/zinc/32/21/52/994322152.db2.gz LGQGVCKDSURLFB-ZIAGYGMSSA-N 1 3 322.453 0.269 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001400903158 995050888 /nfs/dbraw/zinc/05/08/88/995050888.db2.gz UVRPGBCMTNWRII-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001400903158 995050899 /nfs/dbraw/zinc/05/08/99/995050899.db2.gz UVRPGBCMTNWRII-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO Cn1nccc1CNC[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401016603 995116822 /nfs/dbraw/zinc/11/68/22/995116822.db2.gz BPMYQVKYGQASSZ-DYVFJYSZSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CNC[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401016603 995116826 /nfs/dbraw/zinc/11/68/26/995116826.db2.gz BPMYQVKYGQASSZ-DYVFJYSZSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCN(C)C1=O ZINC001401113299 995190022 /nfs/dbraw/zinc/19/00/22/995190022.db2.gz GTZIMBWIKFJZBN-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001396828639 995633627 /nfs/dbraw/zinc/63/36/27/995633627.db2.gz HFIBUONLHILBEF-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001396828639 995633632 /nfs/dbraw/zinc/63/36/32/995633632.db2.gz HFIBUONLHILBEF-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001397129846 995814794 /nfs/dbraw/zinc/81/47/94/995814794.db2.gz FCJORVIKMQOGNY-XDQVBPFNSA-N 1 3 312.458 0.321 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001397161901 995834372 /nfs/dbraw/zinc/83/43/72/995834372.db2.gz SKWJVSDOVQFPFN-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001417040816 995885598 /nfs/dbraw/zinc/88/55/98/995885598.db2.gz NKUCMSWRAFINRS-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001417040816 995885600 /nfs/dbraw/zinc/88/56/00/995885600.db2.gz NKUCMSWRAFINRS-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001397279516 995902697 /nfs/dbraw/zinc/90/26/97/995902697.db2.gz OUNZTNHHKPSSEC-QMIVOQANSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001397279516 995902699 /nfs/dbraw/zinc/90/26/99/995902699.db2.gz OUNZTNHHKPSSEC-QMIVOQANSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H](C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1)OC ZINC001502591523 1015988241 /nfs/dbraw/zinc/98/82/41/1015988241.db2.gz BWKOAODBMBDGFM-HOCLYGCPSA-N 1 3 324.425 0.320 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001397597006 996089277 /nfs/dbraw/zinc/08/92/77/996089277.db2.gz XUEJVZYYQPPDFL-OWCLPIDISA-N 1 3 321.469 0.787 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507124908 1016003038 /nfs/dbraw/zinc/00/30/38/1016003038.db2.gz FGPQYXTWJIXRKZ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507124908 1016003051 /nfs/dbraw/zinc/00/30/51/1016003051.db2.gz FGPQYXTWJIXRKZ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507124908 1016003063 /nfs/dbraw/zinc/00/30/63/1016003063.db2.gz FGPQYXTWJIXRKZ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001397697826 996135888 /nfs/dbraw/zinc/13/58/88/996135888.db2.gz NEXBFYPKHIGXOA-HDJSIYSDSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](CCO)CCOC)C1)N(C)C ZINC001397759172 996151573 /nfs/dbraw/zinc/15/15/73/996151573.db2.gz XXWCNILANYEOEK-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](CCO)CCOC)C1)N(C)C ZINC001397759172 996151576 /nfs/dbraw/zinc/15/15/76/996151576.db2.gz XXWCNILANYEOEK-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001398118279 996372217 /nfs/dbraw/zinc/37/22/17/996372217.db2.gz RGYPUQDEIPJEJH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001398118279 996372222 /nfs/dbraw/zinc/37/22/22/996372222.db2.gz RGYPUQDEIPJEJH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)N[C@H](C)C(N)=O ZINC001507144799 1016028396 /nfs/dbraw/zinc/02/83/96/1016028396.db2.gz PODIUKQKYLYDSY-CHWSQXEVSA-N 1 3 324.469 0.419 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCN(CC)C1=O ZINC001507149931 1016032547 /nfs/dbraw/zinc/03/25/47/1016032547.db2.gz YNVHGTZYRRYBKL-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCCN1CC[NH+](CC2CCC2)CC1 ZINC001398265256 996437798 /nfs/dbraw/zinc/43/77/98/996437798.db2.gz CLUQTIDVSCPJES-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)CC1 ZINC001398436232 996515048 /nfs/dbraw/zinc/51/50/48/996515048.db2.gz RJUTWUBJLLBHAR-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CC(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001398535901 996559424 /nfs/dbraw/zinc/55/94/24/996559424.db2.gz UTZXWSXBLLRCDF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001398552837 996569370 /nfs/dbraw/zinc/56/93/70/996569370.db2.gz HOQSEYIMCQNPGP-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN(CC)CC)C1 ZINC001398594502 996594562 /nfs/dbraw/zinc/59/45/62/996594562.db2.gz FQMLCHLASPZIMQ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN(CC)CC)C1 ZINC001398594502 996594570 /nfs/dbraw/zinc/59/45/70/996594570.db2.gz FQMLCHLASPZIMQ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001398732231 996662512 /nfs/dbraw/zinc/66/25/12/996662512.db2.gz VCOQBACIZJDKAJ-UKRRQHHQSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC(=O)NC1CC1 ZINC001502754144 1016057426 /nfs/dbraw/zinc/05/74/26/1016057426.db2.gz LXFCLEIYWUAYBT-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1cncn1C ZINC001398926314 996753372 /nfs/dbraw/zinc/75/33/72/996753372.db2.gz DZYOKFGTSBJGDD-ZDUSSCGKSA-N 1 3 305.426 0.643 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NCC1CC1 ZINC001398956146 996773216 /nfs/dbraw/zinc/77/32/16/996773216.db2.gz ULAQMSVMDUXVLL-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001399110951 996978946 /nfs/dbraw/zinc/97/89/46/996978946.db2.gz LLCFFBKTNDRYSW-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001399110951 996978955 /nfs/dbraw/zinc/97/89/55/996978955.db2.gz LLCFFBKTNDRYSW-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@@H]2CCCN(C)C2=O)CCC1 ZINC001404331072 996997663 /nfs/dbraw/zinc/99/76/63/996997663.db2.gz XLTZPBANERPBSR-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001399154481 997030833 /nfs/dbraw/zinc/03/08/33/997030833.db2.gz FLTJQTOFTWWCSR-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399222148 997093039 /nfs/dbraw/zinc/09/30/39/997093039.db2.gz IQUMJVBGMBXZGT-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001404557589 997233887 /nfs/dbraw/zinc/23/38/87/997233887.db2.gz JGWGFRZBESRLHH-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001404627086 997307869 /nfs/dbraw/zinc/30/78/69/997307869.db2.gz CXHQLHLQPMVKIO-UONOGXRCSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404627086 997307877 /nfs/dbraw/zinc/30/78/77/997307877.db2.gz CXHQLHLQPMVKIO-UONOGXRCSA-N 1 3 324.469 0.241 20 0 DCADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)CCc1ccnn1C ZINC001399556141 997505059 /nfs/dbraw/zinc/50/50/59/997505059.db2.gz HRQCPCFMGTTXQE-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)NCc1ccc2c(c1)COC2 ZINC001507233813 1016159518 /nfs/dbraw/zinc/15/95/18/1016159518.db2.gz XFSOKGRTVXUPLP-INIZCTEOSA-N 1 3 321.421 0.235 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001405171252 997885265 /nfs/dbraw/zinc/88/52/65/997885265.db2.gz KYKZQFSCZJHSAO-NSHDSACASA-N 1 3 309.414 0.175 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCCC1 ZINC001405429522 998218559 /nfs/dbraw/zinc/21/85/59/998218559.db2.gz ZPVVKWNQESWSLW-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001511165216 1016196531 /nfs/dbraw/zinc/19/65/31/1016196531.db2.gz BBIKQMMIVBJCEF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001507294471 1016225915 /nfs/dbraw/zinc/22/59/15/1016225915.db2.gz ZGWPNYHHRVDLLB-LSDHHAIUSA-N 1 3 307.442 0.804 20 0 DCADHO CC1CC(C[NH2+]C[C@@H](O)CN(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001507484596 1016392650 /nfs/dbraw/zinc/39/26/50/1016392650.db2.gz GWSFGXCLTUAWGQ-YMAMQOFZSA-N 1 3 311.470 0.926 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001401125232 1000211630 /nfs/dbraw/zinc/21/16/30/1000211630.db2.gz GDYLSVQVZVXXMV-LBPRGKRZSA-N 1 3 300.447 0.052 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@H]1CCCNC1=O ZINC001401127217 1000212674 /nfs/dbraw/zinc/21/26/74/1000212674.db2.gz XBDHVHGCXZAZFG-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001401178168 1000252221 /nfs/dbraw/zinc/25/22/21/1000252221.db2.gz AMNVMYKOWYVIJQ-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401229926 1000291600 /nfs/dbraw/zinc/29/16/00/1000291600.db2.gz ACHAZLQASHUONK-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001401256685 1000313433 /nfs/dbraw/zinc/31/34/33/1000313433.db2.gz NSDDKIFEFVHPDA-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001401492529 1000449558 /nfs/dbraw/zinc/44/95/58/1000449558.db2.gz NNSWSFZTBQHSQH-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418714644 1000469898 /nfs/dbraw/zinc/46/98/98/1000469898.db2.gz HBLMJOJIBUBOKR-MELADBBJSA-N 1 3 324.469 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001418811935 1000541517 /nfs/dbraw/zinc/54/15/17/1000541517.db2.gz RYLOYUNODQEVCW-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001418811935 1000541523 /nfs/dbraw/zinc/54/15/23/1000541523.db2.gz RYLOYUNODQEVCW-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001418826069 1000553449 /nfs/dbraw/zinc/55/34/49/1000553449.db2.gz HZDDFYLTAKEREA-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401641406 1000581145 /nfs/dbraw/zinc/58/11/45/1000581145.db2.gz VYGOQNOHFIWIKD-RDBSUJKOSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401641406 1000581151 /nfs/dbraw/zinc/58/11/51/1000581151.db2.gz VYGOQNOHFIWIKD-RDBSUJKOSA-N 1 3 307.442 0.745 20 0 DCADHO CCN1CC[C@H](N(C)C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001418936507 1000632439 /nfs/dbraw/zinc/63/24/39/1000632439.db2.gz GQICSTBMWOTKBJ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@H]1CCCNC1=O ZINC001418939352 1000632828 /nfs/dbraw/zinc/63/28/28/1000632828.db2.gz MMRFOWVYQQAJDE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401716174 1000653176 /nfs/dbraw/zinc/65/31/76/1000653176.db2.gz FVCASNAQAATDTG-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CO[C@H](C)CN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001419066330 1000739826 /nfs/dbraw/zinc/73/98/26/1000739826.db2.gz NNDCTZJUEDIATQ-KGLIPLIRSA-N 1 3 313.442 0.323 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CCN(CCc2cnn(C)c2)CC1 ZINC001419085842 1000755142 /nfs/dbraw/zinc/75/51/42/1000755142.db2.gz UDACLTXMTHKRPU-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001401864525 1000797936 /nfs/dbraw/zinc/79/79/36/1000797936.db2.gz GSZDNTNKEAWXKY-UKRRQHHQSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](F)CCN1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001419130750 1000800895 /nfs/dbraw/zinc/80/08/95/1000800895.db2.gz JBZAFQLCMSAGIN-CABCVRRESA-N 1 3 314.449 0.420 20 0 DCADHO C[C@@H](F)CCN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001419130750 1000800902 /nfs/dbraw/zinc/80/09/02/1000800902.db2.gz JBZAFQLCMSAGIN-CABCVRRESA-N 1 3 314.449 0.420 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)CC[N@@H+]1C ZINC001401929562 1000867714 /nfs/dbraw/zinc/86/77/14/1000867714.db2.gz GBBIQLXNDQAJJJ-BPLDGKMQSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)CC[N@H+]1C ZINC001401929562 1000867721 /nfs/dbraw/zinc/86/77/21/1000867721.db2.gz GBBIQLXNDQAJJJ-BPLDGKMQSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)N1CCC1 ZINC001419209677 1000882996 /nfs/dbraw/zinc/88/29/96/1000882996.db2.gz ZTNBSMHRVWMZGF-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)N1CCC1 ZINC001419209677 1000882999 /nfs/dbraw/zinc/88/29/99/1000882999.db2.gz ZTNBSMHRVWMZGF-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](N[C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1)C(N)=O ZINC001419332467 1000981188 /nfs/dbraw/zinc/98/11/88/1000981188.db2.gz YTHPIDTWUNFJAW-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001402057301 1000981360 /nfs/dbraw/zinc/98/13/60/1000981360.db2.gz WIGKCOZSRLQDDX-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001402057298 1000981489 /nfs/dbraw/zinc/98/14/89/1000981489.db2.gz WIGKCOZSRLQDDX-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001419415859 1001033555 /nfs/dbraw/zinc/03/35/55/1001033555.db2.gz FQZZXFUVAPASKR-XDQVBPFNSA-N 1 3 312.458 0.286 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001419431243 1001044962 /nfs/dbraw/zinc/04/49/62/1001044962.db2.gz VZBLDWBHTKVOGD-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)nn1C ZINC001419519392 1001111676 /nfs/dbraw/zinc/11/16/76/1001111676.db2.gz NFAJUCILQIDQCV-CYBMUJFWSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001419838123 1001344984 /nfs/dbraw/zinc/34/49/84/1001344984.db2.gz MBACYNPQUGUDHT-SWLSCSKDSA-N 1 3 324.473 0.575 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN([C@H](C)COC)C1 ZINC001402476480 1001347066 /nfs/dbraw/zinc/34/70/66/1001347066.db2.gz WKZTVYMVQACDOJ-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN([C@H](C)COC)C1 ZINC001402476480 1001347072 /nfs/dbraw/zinc/34/70/72/1001347072.db2.gz WKZTVYMVQACDOJ-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001419853980 1001357530 /nfs/dbraw/zinc/35/75/30/1001357530.db2.gz REXVNRFBNCBVDG-ZIAGYGMSSA-N 1 3 307.442 0.399 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001402518732 1001377205 /nfs/dbraw/zinc/37/72/05/1001377205.db2.gz USNVKTVPFZYEJP-XDQVBPFNSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCn1cccn1 ZINC001402897394 1001564056 /nfs/dbraw/zinc/56/40/56/1001564056.db2.gz YRLZEKXBBYQGIY-LSDHHAIUSA-N 1 3 307.442 0.850 20 0 DCADHO C[C@@H](NCC(=O)NC(C)(C)C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001403021939 1001637246 /nfs/dbraw/zinc/63/72/46/1001637246.db2.gz CIOPNQAKTHRTPA-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001403254360 1001764716 /nfs/dbraw/zinc/76/47/16/1001764716.db2.gz GQACPGHATNICRA-LBPRGKRZSA-N 1 3 311.455 0.816 20 0 DCADHO COC[C@@H](O)CN1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001403320388 1001809312 /nfs/dbraw/zinc/80/93/12/1001809312.db2.gz ITDAQRQEHOSGNV-QEJZJMRPSA-N 1 3 315.458 0.016 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505761016 1016532331 /nfs/dbraw/zinc/53/23/31/1016532331.db2.gz QFURJVSTKKRXHQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001403366716 1001886998 /nfs/dbraw/zinc/88/69/98/1001886998.db2.gz XCCYMLYTESZLDI-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cnnn1C)N(C)C ZINC001403471647 1002002010 /nfs/dbraw/zinc/00/20/10/1002002010.db2.gz YSLJIEXRCDOLNG-OCCSQVGLSA-N 1 3 310.446 0.386 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC001403470929 1002003419 /nfs/dbraw/zinc/00/34/19/1002003419.db2.gz WJZUKDYVSHKERJ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001403487283 1002020110 /nfs/dbraw/zinc/02/01/10/1002020110.db2.gz NJVUCZWYDLATAK-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001403512475 1002055393 /nfs/dbraw/zinc/05/53/93/1002055393.db2.gz MEWHHZYOJXHZBW-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001420294065 1002178113 /nfs/dbraw/zinc/17/81/13/1002178113.db2.gz WBTSTAVNMOLRNW-VHDGCEQUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001420294065 1002178115 /nfs/dbraw/zinc/17/81/15/1002178115.db2.gz WBTSTAVNMOLRNW-VHDGCEQUSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001403605894 1002197985 /nfs/dbraw/zinc/19/79/85/1002197985.db2.gz UUVCDHJGIGHUGS-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001403619601 1002221181 /nfs/dbraw/zinc/22/11/81/1002221181.db2.gz CXRUSJHCAIFFBF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC001403636810 1002245075 /nfs/dbraw/zinc/24/50/75/1002245075.db2.gz WARSUFPOCGNVGM-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC001403636810 1002245080 /nfs/dbraw/zinc/24/50/80/1002245080.db2.gz WARSUFPOCGNVGM-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001420375568 1002299580 /nfs/dbraw/zinc/29/95/80/1002299580.db2.gz FPFLYJAUPPFERD-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)C[C@@H]2CCNC(=O)CC2)C1 ZINC001403688698 1002354291 /nfs/dbraw/zinc/35/42/91/1002354291.db2.gz RHPXCDWYXCMZLO-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)C[C@@H]2CCNC(=O)CC2)C1 ZINC001403688698 1002354303 /nfs/dbraw/zinc/35/43/03/1002354303.db2.gz RHPXCDWYXCMZLO-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001508038385 1016616555 /nfs/dbraw/zinc/61/65/55/1016616555.db2.gz QPGURZWWPSVGAL-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001420475765 1002470056 /nfs/dbraw/zinc/47/00/56/1002470056.db2.gz IOIBPNIGDZYRGU-KKUMJFAQSA-N 1 3 315.458 0.351 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001425254307 1002482952 /nfs/dbraw/zinc/48/29/52/1002482952.db2.gz LNLCAMRGRYECLM-OCCSQVGLSA-N 1 3 320.441 0.154 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001403810275 1002555023 /nfs/dbraw/zinc/55/50/23/1002555023.db2.gz AUOGRICXAWBDMD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001403810275 1002555030 /nfs/dbraw/zinc/55/50/30/1002555030.db2.gz AUOGRICXAWBDMD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001403876372 1002667979 /nfs/dbraw/zinc/66/79/79/1002667979.db2.gz HCNYRNIPCAWLKC-HNNXBMFYSA-N 1 3 308.426 0.331 20 0 DCADHO C[C@H](C(=O)N(C)C)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001425432157 1002669572 /nfs/dbraw/zinc/66/95/72/1002669572.db2.gz GTEPDGSNYXFCOA-KGLIPLIRSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](C(=O)N(C)C)N(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001425432157 1002669574 /nfs/dbraw/zinc/66/95/74/1002669574.db2.gz GTEPDGSNYXFCOA-KGLIPLIRSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](C(=O)NC1CC1)N(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001425437566 1002674424 /nfs/dbraw/zinc/67/44/24/1002674424.db2.gz CYCJNBHIYCCTIN-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O)CC(C)(C)C ZINC001420727061 1002870288 /nfs/dbraw/zinc/87/02/88/1002870288.db2.gz OSOQHGHMGBXYQI-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001425608591 1002885823 /nfs/dbraw/zinc/88/58/23/1002885823.db2.gz AOMLHQVYQYAZGF-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001420739430 1002898359 /nfs/dbraw/zinc/89/83/59/1002898359.db2.gz GBLQGKXTSBQDRO-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@H](C)C(=O)NC)C1 ZINC001420741789 1002903725 /nfs/dbraw/zinc/90/37/25/1002903725.db2.gz RBMWHUXZPCUPSK-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@H](C)C(=O)NC)C1 ZINC001420741789 1002903732 /nfs/dbraw/zinc/90/37/32/1002903732.db2.gz RBMWHUXZPCUPSK-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)CC)C1 ZINC001404024673 1002915547 /nfs/dbraw/zinc/91/55/47/1002915547.db2.gz WHVGTDYUPQWBAY-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001404025625 1002917842 /nfs/dbraw/zinc/91/78/42/1002917842.db2.gz TVEUXROXNFDTMS-RUXDESIVSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001425792996 1003116496 /nfs/dbraw/zinc/11/64/96/1003116496.db2.gz GKQVKGURHOKZKC-INIZCTEOSA-N 1 3 319.449 0.904 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405841427 1003130807 /nfs/dbraw/zinc/13/08/07/1003130807.db2.gz HJAGOYKMDDNRGZ-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001425958232 1003285045 /nfs/dbraw/zinc/28/50/45/1003285045.db2.gz UFGUYTROWWENDH-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001421109489 1003328215 /nfs/dbraw/zinc/32/82/15/1003328215.db2.gz IRQZPDWDCXRIJE-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CN(C[C@H](O)C[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)Cc1c[nH]cn1 ZINC001426035845 1003366887 /nfs/dbraw/zinc/36/68/87/1003366887.db2.gz QAOWIFPIOVICSG-ZIAGYGMSSA-N 1 3 324.425 0.176 20 0 DCADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C/Cl ZINC001406257545 1003534958 /nfs/dbraw/zinc/53/49/58/1003534958.db2.gz QVZNKGLJTZSKPC-LIPIYFLUSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C/Cl ZINC001406257545 1003534964 /nfs/dbraw/zinc/53/49/64/1003534964.db2.gz QVZNKGLJTZSKPC-LIPIYFLUSA-N 1 3 324.252 0.856 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001427065541 1004192114 /nfs/dbraw/zinc/19/21/14/1004192114.db2.gz FXLSZODIWKQPCG-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001428815370 1004193221 /nfs/dbraw/zinc/19/32/21/1004193221.db2.gz WHXTUIYPUITVCU-NSHDSACASA-N 1 3 309.414 0.223 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001428815370 1004193230 /nfs/dbraw/zinc/19/32/30/1004193230.db2.gz WHXTUIYPUITVCU-NSHDSACASA-N 1 3 309.414 0.223 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001427315380 1004317790 /nfs/dbraw/zinc/31/77/90/1004317790.db2.gz PSYCRGAOAKFQKQ-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001407118555 1004398162 /nfs/dbraw/zinc/39/81/62/1004398162.db2.gz YLGJFKVEOLSRMN-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001407300025 1004526406 /nfs/dbraw/zinc/52/64/06/1004526406.db2.gz RCGJHSXPDMVRMG-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001407300025 1004526413 /nfs/dbraw/zinc/52/64/13/1004526413.db2.gz RCGJHSXPDMVRMG-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001427777933 1004600805 /nfs/dbraw/zinc/60/08/05/1004600805.db2.gz ZPEZAYMJZGWJKH-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001427777933 1004600807 /nfs/dbraw/zinc/60/08/07/1004600807.db2.gz ZPEZAYMJZGWJKH-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2)C1CCC1 ZINC001407471422 1004672449 /nfs/dbraw/zinc/67/24/49/1004672449.db2.gz IEWSHTMWHGPOTE-DZKIICNBSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2)C1CCC1 ZINC001407471422 1004672453 /nfs/dbraw/zinc/67/24/53/1004672453.db2.gz IEWSHTMWHGPOTE-DZKIICNBSA-N 1 3 309.454 0.822 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)NC ZINC001407757440 1004839683 /nfs/dbraw/zinc/83/96/83/1004839683.db2.gz PADZGONXYLOFQZ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(=O)NC ZINC001407757440 1004839691 /nfs/dbraw/zinc/83/96/91/1004839691.db2.gz PADZGONXYLOFQZ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001408184220 1005096785 /nfs/dbraw/zinc/09/67/85/1005096785.db2.gz BSWPXBMRWMEIOY-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408184220 1005096789 /nfs/dbraw/zinc/09/67/89/1005096789.db2.gz BSWPXBMRWMEIOY-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001416031385 1005652981 /nfs/dbraw/zinc/65/29/81/1005652981.db2.gz PLJRQKUXMXHSNH-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001416031385 1005652982 /nfs/dbraw/zinc/65/29/82/1005652982.db2.gz PLJRQKUXMXHSNH-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C)C1CCC1 ZINC001416139600 1005665195 /nfs/dbraw/zinc/66/51/95/1005665195.db2.gz TXMIRGHMIYLFAK-GJZGRUSLSA-N 1 3 322.453 0.234 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001417345467 1005823900 /nfs/dbraw/zinc/82/39/00/1005823900.db2.gz XSJGELKDGPFSQJ-MRXNPFEDSA-N 1 3 312.458 0.387 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001438635369 1005970439 /nfs/dbraw/zinc/97/04/39/1005970439.db2.gz KYRBJDSASFCPJN-WFASDCNBSA-N 1 3 305.426 0.816 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001418064259 1005996764 /nfs/dbraw/zinc/99/67/64/1005996764.db2.gz NAMTXEIOLLIEAF-MGPQQGTHSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438688083 1006027471 /nfs/dbraw/zinc/02/74/71/1006027471.db2.gz UKJJZRMLMDYLEK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001438688083 1006027483 /nfs/dbraw/zinc/02/74/83/1006027483.db2.gz UKJJZRMLMDYLEK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCN(CC)C1=O ZINC001438705959 1006053865 /nfs/dbraw/zinc/05/38/65/1006053865.db2.gz MVVKKHHOAPYUFE-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001438709899 1006055392 /nfs/dbraw/zinc/05/53/92/1006055392.db2.gz CLPDKXOOCMMRHP-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001418135402 1006092247 /nfs/dbraw/zinc/09/22/47/1006092247.db2.gz FPJNGXINBJJDPW-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001438774158 1006109603 /nfs/dbraw/zinc/10/96/03/1006109603.db2.gz QAYQTRSTKSITSP-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO COc1cc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001438782183 1006114914 /nfs/dbraw/zinc/11/49/14/1006114914.db2.gz YXJDTZXXEZQWBG-TZMCWYRMSA-N 1 3 324.425 0.962 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001436402439 1006165612 /nfs/dbraw/zinc/16/56/12/1006165612.db2.gz DOGTUKOGSKJFEQ-YDHLFZDLSA-N 1 3 324.469 0.478 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001436474399 1006204030 /nfs/dbraw/zinc/20/40/30/1006204030.db2.gz HHDZAHFJDGVDKZ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436474399 1006204038 /nfs/dbraw/zinc/20/40/38/1006204038.db2.gz HHDZAHFJDGVDKZ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N[C@H](C)C(N)=O ZINC001418272936 1006282502 /nfs/dbraw/zinc/28/25/02/1006282502.db2.gz DDIHTOBTPWZXLW-CHWSQXEVSA-N 1 3 320.437 0.372 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N1CCCC1 ZINC001418315368 1006357981 /nfs/dbraw/zinc/35/79/81/1006357981.db2.gz XTGPOWIGVMHIPB-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]([NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1)C(=O)N(C)C ZINC001436788957 1006366195 /nfs/dbraw/zinc/36/61/95/1006366195.db2.gz LDVCQLIQUXDBLE-DOMZBBRYSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1)C1CC1 ZINC001436827386 1006397769 /nfs/dbraw/zinc/39/77/69/1006397769.db2.gz JKHCPJHBEVKXLF-DZGCQCFKSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1)C1CC1 ZINC001436827386 1006397778 /nfs/dbraw/zinc/39/77/78/1006397778.db2.gz JKHCPJHBEVKXLF-DZGCQCFKSA-N 1 3 322.453 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001437024300 1006534389 /nfs/dbraw/zinc/53/43/89/1006534389.db2.gz URXNBWWJNPLPLI-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001437134057 1006631834 /nfs/dbraw/zinc/63/18/34/1006631834.db2.gz VXPWIZOIRQBLBT-DOMZBBRYSA-N 1 3 305.426 0.356 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437185314 1006682966 /nfs/dbraw/zinc/68/29/66/1006682966.db2.gz IGBHGNNOYLZQOB-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439365846 1006760152 /nfs/dbraw/zinc/76/01/52/1006760152.db2.gz MDSAFPHSGNMFAM-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439365846 1006760165 /nfs/dbraw/zinc/76/01/65/1006760165.db2.gz MDSAFPHSGNMFAM-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437308484 1006825573 /nfs/dbraw/zinc/82/55/73/1006825573.db2.gz KNMYRDCCIGTLPI-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001437331139 1006849304 /nfs/dbraw/zinc/84/93/04/1006849304.db2.gz UYSPYXNRNFUHKQ-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439485554 1006914682 /nfs/dbraw/zinc/91/46/82/1006914682.db2.gz SHZLXTNDWJYBKG-KBPBESRZSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CC[C@H](C)C1 ZINC001452702479 1006997831 /nfs/dbraw/zinc/99/78/31/1006997831.db2.gz WJWKKSNUUBRVHY-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001452884874 1007131325 /nfs/dbraw/zinc/13/13/25/1007131325.db2.gz LTFOBSOXSQFSDW-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001452884874 1007131332 /nfs/dbraw/zinc/13/13/32/1007131332.db2.gz LTFOBSOXSQFSDW-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001439764055 1007180544 /nfs/dbraw/zinc/18/05/44/1007180544.db2.gz GBOUNSUBWRLIKQ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001439764055 1007180549 /nfs/dbraw/zinc/18/05/49/1007180549.db2.gz GBOUNSUBWRLIKQ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H](NCc2nccn2C)CCN1C(=O)CC[NH+](C)C ZINC001439775706 1007189586 /nfs/dbraw/zinc/18/95/86/1007189586.db2.gz SPBLAIYBXLZPAG-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCCC2)C1 ZINC001439787910 1007199070 /nfs/dbraw/zinc/19/90/70/1007199070.db2.gz UIUUSECLDQVCMS-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCCC2)C1 ZINC001439787910 1007199081 /nfs/dbraw/zinc/19/90/81/1007199081.db2.gz UIUUSECLDQVCMS-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCOC)C1 ZINC001439993930 1007390951 /nfs/dbraw/zinc/39/09/51/1007390951.db2.gz YKWCJZOSYDIXIM-GDBMZVCRSA-N 1 3 313.442 0.060 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCOC)C1 ZINC001439993930 1007390965 /nfs/dbraw/zinc/39/09/65/1007390965.db2.gz YKWCJZOSYDIXIM-GDBMZVCRSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1CNCc1cn(C)nn1 ZINC001440135448 1007515035 /nfs/dbraw/zinc/51/50/35/1007515035.db2.gz PIQLNVYGHQJDMH-KBPBESRZSA-N 1 3 322.457 0.341 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1)CC(C)(C)C ZINC001440148252 1007520953 /nfs/dbraw/zinc/52/09/53/1007520953.db2.gz IPEQFFDNIFJFRU-GASCZTMLSA-N 1 3 311.470 0.737 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1)CC(C)(C)C ZINC001440148252 1007520962 /nfs/dbraw/zinc/52/09/62/1007520962.db2.gz IPEQFFDNIFJFRU-GASCZTMLSA-N 1 3 311.470 0.737 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001437956741 1007536873 /nfs/dbraw/zinc/53/68/73/1007536873.db2.gz XJAAKKYNKYCVAI-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001437956741 1007536880 /nfs/dbraw/zinc/53/68/80/1007536880.db2.gz XJAAKKYNKYCVAI-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001440397741 1007725118 /nfs/dbraw/zinc/72/51/18/1007725118.db2.gz RQAYNQZXZALCPN-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CCNC(=O)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001438385233 1007877192 /nfs/dbraw/zinc/87/71/92/1007877192.db2.gz CNCCYETZDBMXTI-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001438398294 1007882845 /nfs/dbraw/zinc/88/28/45/1007882845.db2.gz SWNUCFXZKREJOS-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](F)CN[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001440554430 1007882932 /nfs/dbraw/zinc/88/29/32/1007882932.db2.gz YMQGJKPZHMQWQD-ZFWWWQNUSA-N 1 3 303.422 0.629 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H](C)COC)CCOCC1)N(C)C ZINC001440570924 1007894880 /nfs/dbraw/zinc/89/48/80/1007894880.db2.gz GYXRYVOHBPNQFG-UONOGXRCSA-N 1 3 315.458 0.617 20 0 DCADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC001438440112 1007910393 /nfs/dbraw/zinc/91/03/93/1007910393.db2.gz IEXXJRKHNCRTKJ-UMVBOHGHSA-N 1 3 322.453 0.376 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCN(C)C1=O ZINC001438465674 1007923945 /nfs/dbraw/zinc/92/39/45/1007923945.db2.gz IOHRMAOTWZPPKW-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCN(C)C1=O ZINC001438465674 1007923952 /nfs/dbraw/zinc/92/39/52/1007923952.db2.gz IOHRMAOTWZPPKW-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CNCc1ncc(Cl)n1C)CNC(=O)CC[NH+](C)C ZINC001438523289 1007970413 /nfs/dbraw/zinc/97/04/13/1007970413.db2.gz UBUNAUZSNBLJNH-NSHDSACASA-N 1 3 315.849 0.867 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001438606677 1008023353 /nfs/dbraw/zinc/02/33/53/1008023353.db2.gz MPGUHUZLSJHMLK-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001440832246 1008051572 /nfs/dbraw/zinc/05/15/72/1008051572.db2.gz SPZHXWHKRMNVSW-KBPBESRZSA-N 1 3 322.457 0.635 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001441195865 1008264287 /nfs/dbraw/zinc/26/42/87/1008264287.db2.gz OGTMSDJXZNSXIG-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001441195865 1008264291 /nfs/dbraw/zinc/26/42/91/1008264291.db2.gz OGTMSDJXZNSXIG-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001441297919 1008312537 /nfs/dbraw/zinc/31/25/37/1008312537.db2.gz KYIRVLCVOSPSJK-HUUCEWRRSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001441387445 1008342759 /nfs/dbraw/zinc/34/27/59/1008342759.db2.gz XUTFCLLHCQMLRV-HDJSIYSDSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CC(F)(F)C2)C1 ZINC001441757875 1008489597 /nfs/dbraw/zinc/48/95/97/1008489597.db2.gz RVWNNEIJUBWPLG-AAEUAGOBSA-N 1 3 319.396 0.440 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441825084 1008522079 /nfs/dbraw/zinc/52/20/79/1008522079.db2.gz MIWGNQOFHAVAOB-ZFWWWQNUSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001441835087 1008543401 /nfs/dbraw/zinc/54/34/01/1008543401.db2.gz AUHKSIGRAVPWDI-UONOGXRCSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001421415566 1008548468 /nfs/dbraw/zinc/54/84/68/1008548468.db2.gz DEZPLULMDMOIJC-YRGRVCCFSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001421415566 1008548475 /nfs/dbraw/zinc/54/84/75/1008548475.db2.gz DEZPLULMDMOIJC-YRGRVCCFSA-N 1 3 310.442 0.090 20 0 DCADHO CCCNC(=O)CN[C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001421443241 1008598966 /nfs/dbraw/zinc/59/89/66/1008598966.db2.gz IZXFNBHAFZIDJT-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001421453683 1008608149 /nfs/dbraw/zinc/60/81/49/1008608149.db2.gz GUGOPBUMQQUQDY-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001441940939 1008681765 /nfs/dbraw/zinc/68/17/65/1008681765.db2.gz XKSNXLQLQGOGIZ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001441940939 1008681770 /nfs/dbraw/zinc/68/17/70/1008681770.db2.gz XKSNXLQLQGOGIZ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001442067638 1008922141 /nfs/dbraw/zinc/92/21/41/1008922141.db2.gz PTUDYTNZSQRRRS-KBPBESRZSA-N 1 3 312.458 0.430 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001421703085 1008961557 /nfs/dbraw/zinc/96/15/57/1008961557.db2.gz UKIDRIPDDAPKRW-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001421703085 1008961572 /nfs/dbraw/zinc/96/15/72/1008961572.db2.gz UKIDRIPDDAPKRW-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCn1nncc1C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001421722613 1008986628 /nfs/dbraw/zinc/98/66/28/1008986628.db2.gz FEPPVTXSNBEJDB-KBPBESRZSA-N 1 3 322.457 0.482 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001442176925 1009054946 /nfs/dbraw/zinc/05/49/46/1009054946.db2.gz KBCRPQRMJMSUEG-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001442226301 1009113025 /nfs/dbraw/zinc/11/30/25/1009113025.db2.gz ZECIYWVUTODSAT-JSGCOSHPSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001433802506 1009193471 /nfs/dbraw/zinc/19/34/71/1009193471.db2.gz BCOWWZCWSKYHRE-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421937104 1009282940 /nfs/dbraw/zinc/28/29/40/1009282940.db2.gz QVWCNSJMYUXBTO-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001433926812 1009360420 /nfs/dbraw/zinc/36/04/20/1009360420.db2.gz ZOMJBRMSHLTVRN-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001421997478 1009385213 /nfs/dbraw/zinc/38/52/13/1009385213.db2.gz STRJVNPMUDHTOB-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C)n[nH]1 ZINC001422037518 1009424994 /nfs/dbraw/zinc/42/49/94/1009424994.db2.gz ARPWPWIEAQDENB-AAEUAGOBSA-N 1 3 320.441 0.391 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001422050425 1009436292 /nfs/dbraw/zinc/43/62/92/1009436292.db2.gz PMRNCBGXYONPDN-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001422062326 1009446896 /nfs/dbraw/zinc/44/68/96/1009446896.db2.gz NFMNFTIRAICGNZ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001455072564 1009476059 /nfs/dbraw/zinc/47/60/59/1009476059.db2.gz JHJOYZQLLHZRMX-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001455072564 1009476065 /nfs/dbraw/zinc/47/60/65/1009476065.db2.gz JHJOYZQLLHZRMX-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001434185654 1009642854 /nfs/dbraw/zinc/64/28/54/1009642854.db2.gz WNZVHUYXFLCSBG-INIZCTEOSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C[C@H](C)O)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001422211298 1009653888 /nfs/dbraw/zinc/65/38/88/1009653888.db2.gz QNXKLIFDFIXQCB-ZDUSSCGKSA-N 1 3 308.426 0.894 20 0 DCADHO CC[N@@H+](C[C@H](C)O)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001422211298 1009653892 /nfs/dbraw/zinc/65/38/92/1009653892.db2.gz QNXKLIFDFIXQCB-ZDUSSCGKSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422355370 1009937766 /nfs/dbraw/zinc/93/77/66/1009937766.db2.gz WQVIIGYIXYJMSB-OLZOCXBDSA-N 1 3 322.453 0.376 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001506161047 1017081251 /nfs/dbraw/zinc/08/12/51/1017081251.db2.gz JIPVIPGJWKJIHY-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001506161047 1017081264 /nfs/dbraw/zinc/08/12/64/1017081264.db2.gz JIPVIPGJWKJIHY-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC1CC1 ZINC001443073373 1010111802 /nfs/dbraw/zinc/11/18/02/1010111802.db2.gz DGUBFIOCURIUBV-IUODEOHRSA-N 1 3 322.453 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001443287382 1010296364 /nfs/dbraw/zinc/29/63/64/1010296364.db2.gz ORDGLHDWQWWTFI-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422661606 1010466316 /nfs/dbraw/zinc/46/63/16/1010466316.db2.gz SSCVXKJRRHVZGS-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CCCC[C@H](CN[C@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001422692601 1010494900 /nfs/dbraw/zinc/49/49/00/1010494900.db2.gz YLMJVTGLFBIHNM-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)CC(=O)N(C)C)CC2)C1 ZINC001422928240 1010746939 /nfs/dbraw/zinc/74/69/39/1010746939.db2.gz RBBJIJLMUGDGFQ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)CC(=O)N(C)C)CC2)C1 ZINC001422928240 1010746948 /nfs/dbraw/zinc/74/69/48/1010746948.db2.gz RBBJIJLMUGDGFQ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(CC)C1=O ZINC001443936964 1010762976 /nfs/dbraw/zinc/76/29/76/1010762976.db2.gz QLXKUYIXDADHSF-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001423013364 1010808519 /nfs/dbraw/zinc/80/85/19/1010808519.db2.gz UGAXPIZCQQLWPX-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001423038014 1010828612 /nfs/dbraw/zinc/82/86/12/1010828612.db2.gz CLWZJGIDTFSAGR-IUODEOHRSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001423038014 1010828619 /nfs/dbraw/zinc/82/86/19/1010828619.db2.gz CLWZJGIDTFSAGR-IUODEOHRSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001423045290 1010836178 /nfs/dbraw/zinc/83/61/78/1010836178.db2.gz BDFXEZMRTDGCSB-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001423045290 1010836184 /nfs/dbraw/zinc/83/61/84/1010836184.db2.gz BDFXEZMRTDGCSB-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(=O)NC ZINC001423078211 1010867793 /nfs/dbraw/zinc/86/77/93/1010867793.db2.gz GGTYLEPRJVGUSR-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001444248130 1010923431 /nfs/dbraw/zinc/92/34/31/1010923431.db2.gz CSMGPYYFRFMIBK-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001444248130 1010923434 /nfs/dbraw/zinc/92/34/34/1010923434.db2.gz CSMGPYYFRFMIBK-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC001423145827 1010924066 /nfs/dbraw/zinc/92/40/66/1010924066.db2.gz JMRBXDMHDAMSMR-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC001423145827 1010924070 /nfs/dbraw/zinc/92/40/70/1010924070.db2.gz JMRBXDMHDAMSMR-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001423340353 1011088118 /nfs/dbraw/zinc/08/81/18/1011088118.db2.gz JSKQJWVAGUKEDN-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NCC ZINC001444612484 1011095058 /nfs/dbraw/zinc/09/50/58/1011095058.db2.gz KIGLDQKMNGLFJQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NCC ZINC001444612484 1011095064 /nfs/dbraw/zinc/09/50/64/1011095064.db2.gz KIGLDQKMNGLFJQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cccnc2)CCC1 ZINC001423455268 1011160650 /nfs/dbraw/zinc/16/06/50/1011160650.db2.gz FFQQZQYOOBIUHG-OAHLLOKOSA-N 1 3 320.437 0.475 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)[C@@H](C)C1 ZINC001444788160 1011172542 /nfs/dbraw/zinc/17/25/42/1011172542.db2.gz MHZKBGCNSWZYAY-DZGCQCFKSA-N 1 3 322.457 0.482 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423483368 1011179672 /nfs/dbraw/zinc/17/96/72/1011179672.db2.gz LRCQUHZCLZURJM-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423483368 1011179676 /nfs/dbraw/zinc/17/96/76/1011179676.db2.gz LRCQUHZCLZURJM-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001423535879 1011226660 /nfs/dbraw/zinc/22/66/60/1011226660.db2.gz YHSWRKLNQUGUFH-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001423620770 1011353370 /nfs/dbraw/zinc/35/33/70/1011353370.db2.gz LMKNATDKKRKFMH-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001423621588 1011355008 /nfs/dbraw/zinc/35/50/08/1011355008.db2.gz LMKNATDKKRKFMH-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cnnn2C)C1 ZINC001423652418 1011392407 /nfs/dbraw/zinc/39/24/07/1011392407.db2.gz MEUMCBKBPTWHET-INIZCTEOSA-N 1 3 322.457 0.484 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001423689585 1011421851 /nfs/dbraw/zinc/42/18/51/1011421851.db2.gz KXPGBOSHILQHOD-JXQTWKCFSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC001533524535 1011433404 /nfs/dbraw/zinc/43/34/04/1011433404.db2.gz RCYVXVYUBDICHZ-QVWFHYRISA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC001533524535 1011433412 /nfs/dbraw/zinc/43/34/12/1011433412.db2.gz RCYVXVYUBDICHZ-QVWFHYRISA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001534141461 1011551552 /nfs/dbraw/zinc/55/15/52/1011551552.db2.gz VXNGSEMAVULART-IHRRRGAJSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001534141461 1011551563 /nfs/dbraw/zinc/55/15/63/1011551563.db2.gz VXNGSEMAVULART-IHRRRGAJSA-N 1 3 312.458 0.145 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001445260817 1011590988 /nfs/dbraw/zinc/59/09/88/1011590988.db2.gz LZHNURVTPOEWPK-RYUDHWBXSA-N 1 3 307.385 0.439 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001431866651 1011729592 /nfs/dbraw/zinc/72/95/92/1011729592.db2.gz BYMDXTKQQHOJST-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431866651 1011729600 /nfs/dbraw/zinc/72/96/00/1011729600.db2.gz BYMDXTKQQHOJST-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001445405155 1011735448 /nfs/dbraw/zinc/73/54/48/1011735448.db2.gz YGPSSTAUAQVGFC-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001445405155 1011735466 /nfs/dbraw/zinc/73/54/66/1011735466.db2.gz YGPSSTAUAQVGFC-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445419865 1011750398 /nfs/dbraw/zinc/75/03/98/1011750398.db2.gz URRHHXNOHLHBBA-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]([NH2+]CC(=O)NC1CC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001423947144 1011761673 /nfs/dbraw/zinc/76/16/73/1011761673.db2.gz NAQXXHTXUJSWPA-VXGBXAGGSA-N 1 3 319.409 0.057 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnc([C@H]3CCCN3)nc2)C1 ZINC001553343524 1011905562 /nfs/dbraw/zinc/90/55/62/1011905562.db2.gz LBOCTBYIFFPONX-GXTWGEPZSA-N 1 3 303.410 0.973 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnc([C@@H]3CCCN3)nc2)CCO1 ZINC001553359226 1011915916 /nfs/dbraw/zinc/91/59/16/1011915916.db2.gz LGHGWPMVBOSHQM-DRZSPHRISA-N 1 3 305.382 0.089 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001535633450 1011953877 /nfs/dbraw/zinc/95/38/77/1011953877.db2.gz DMJFMDXVWZMMHC-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001535633450 1011953879 /nfs/dbraw/zinc/95/38/79/1011953879.db2.gz DMJFMDXVWZMMHC-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001535633449 1011954151 /nfs/dbraw/zinc/95/41/51/1011954151.db2.gz DMJFMDXVWZMMHC-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001535633449 1011954165 /nfs/dbraw/zinc/95/41/65/1011954165.db2.gz DMJFMDXVWZMMHC-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553446869 1011980585 /nfs/dbraw/zinc/98/05/85/1011980585.db2.gz HMZGEQZAVBCZIQ-GXTWGEPZSA-N 1 3 308.426 0.291 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553451600 1011987455 /nfs/dbraw/zinc/98/74/55/1011987455.db2.gz UDAWLFOYBXADGG-IIAWOOMASA-N 1 3 310.442 0.539 20 0 DCADHO C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC[NH2+]CC1 ZINC001553517256 1012063167 /nfs/dbraw/zinc/06/31/67/1012063167.db2.gz JUJPPHXTRMZQSD-BPUTZDHNSA-N 1 3 324.469 0.615 20 0 DCADHO Cn1cnc([C@H]2CN(C(=O)NC[C@H]3CCCCN3C)C[C@@H]2[NH3+])c1 ZINC001553544722 1012095288 /nfs/dbraw/zinc/09/52/88/1012095288.db2.gz BWADSJISDAJYPD-RDBSUJKOSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H]2CCN2C(=O)CC[NH+](C)C)C1 ZINC001445833372 1012320737 /nfs/dbraw/zinc/32/07/37/1012320737.db2.gz KJFUSBQFHPKJPM-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001458744710 1012341154 /nfs/dbraw/zinc/34/11/54/1012341154.db2.gz IVAKGHYVQFVTDL-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001458744710 1012341174 /nfs/dbraw/zinc/34/11/74/1012341174.db2.gz IVAKGHYVQFVTDL-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](CNCc1cnnn1C)C1CC1)[NH+](C)C ZINC001445976300 1012473914 /nfs/dbraw/zinc/47/39/14/1012473914.db2.gz DOKTYBALDKQKGD-LSDHHAIUSA-N 1 3 322.457 0.386 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001432483012 1012550147 /nfs/dbraw/zinc/55/01/47/1012550147.db2.gz FUPBTMZABQXWEI-LSDHHAIUSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001432483012 1012550154 /nfs/dbraw/zinc/55/01/54/1012550154.db2.gz FUPBTMZABQXWEI-LSDHHAIUSA-N 1 3 324.469 0.099 20 0 DCADHO O=C(c1cccc2c1CNC2)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548588537 1012573292 /nfs/dbraw/zinc/57/32/92/1012573292.db2.gz XYSKSGWBFIPEKM-UHFFFAOYSA-N 1 3 301.390 0.883 20 0 DCADHO CC1(C)CN(C(=O)[C@H]2CNCc3ccccc32)CC2(C[NH2+]C2)O1 ZINC001548578258 1012755077 /nfs/dbraw/zinc/75/50/77/1012755077.db2.gz KHKLBFJFAVQVFQ-HNNXBMFYSA-N 1 3 315.417 0.853 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC001460538476 1012932237 /nfs/dbraw/zinc/93/22/37/1012932237.db2.gz SCMUIQVHSWMSFM-IAGOWNOFSA-N 1 3 313.486 0.997 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001479393932 1017537305 /nfs/dbraw/zinc/53/73/05/1017537305.db2.gz OWRZVNJUTUXKFV-MGPQQGTHSA-N 1 3 305.426 0.974 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001479578158 1017589227 /nfs/dbraw/zinc/58/92/27/1017589227.db2.gz GGJJKAVBNDMMLE-RDBSUJKOSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(N)=O ZINC001479581553 1017590018 /nfs/dbraw/zinc/59/00/18/1017590018.db2.gz XURNSVDGNPCHTF-RDBSUJKOSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@@H](C)C(N)=O ZINC001479581553 1017590026 /nfs/dbraw/zinc/59/00/26/1017590026.db2.gz XURNSVDGNPCHTF-RDBSUJKOSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001506906670 1017657369 /nfs/dbraw/zinc/65/73/69/1017657369.db2.gz MTRAAYACCYVRNG-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(=O)NC ZINC001506951385 1017694234 /nfs/dbraw/zinc/69/42/34/1017694234.db2.gz RBANFVJXIBPLOM-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497054100 1017792007 /nfs/dbraw/zinc/79/20/07/1017792007.db2.gz NMODOTMRZGXNMQ-DOMZBBRYSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479832890 1017842815 /nfs/dbraw/zinc/84/28/15/1017842815.db2.gz JMMBHDYKEZLTCX-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001479866462 1017915742 /nfs/dbraw/zinc/91/57/42/1017915742.db2.gz NXUZNMMIXMLLGA-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001479866462 1017915756 /nfs/dbraw/zinc/91/57/56/1017915756.db2.gz NXUZNMMIXMLLGA-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)[C@@H](C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001479875759 1017921772 /nfs/dbraw/zinc/92/17/72/1017921772.db2.gz GRDFSHOXMWIODS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001479875759 1017921778 /nfs/dbraw/zinc/92/17/78/1017921778.db2.gz GRDFSHOXMWIODS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001499458831 1017939586 /nfs/dbraw/zinc/93/95/86/1017939586.db2.gz PSNPSFDXVFFCAK-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO C[N@H+](CCC(=O)N1CCC[C@H]1CNCC(N)=O)C1CCCCC1 ZINC001499913100 1018132855 /nfs/dbraw/zinc/13/28/55/1018132855.db2.gz VKZKEIKUPZPPNA-HNNXBMFYSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@@H+](CCC(=O)N1CCC[C@H]1CNCC(N)=O)C1CCCCC1 ZINC001499913100 1018132861 /nfs/dbraw/zinc/13/28/61/1018132861.db2.gz VKZKEIKUPZPPNA-HNNXBMFYSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC[N@H+](C)CC)C1=O ZINC001499938953 1018144568 /nfs/dbraw/zinc/14/45/68/1018144568.db2.gz HOVIAZHIVOCMDK-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC[N@@H+](C)CC)C1=O ZINC001499938953 1018144585 /nfs/dbraw/zinc/14/45/85/1018144585.db2.gz HOVIAZHIVOCMDK-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001497585230 1018250727 /nfs/dbraw/zinc/25/07/27/1018250727.db2.gz HOBBVILLHLYSTQ-IXSDQNLNSA-N 1 3 322.453 0.209 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001497585230 1018250736 /nfs/dbraw/zinc/25/07/36/1018250736.db2.gz HOBBVILLHLYSTQ-IXSDQNLNSA-N 1 3 322.453 0.209 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001480168517 1018276688 /nfs/dbraw/zinc/27/66/88/1018276688.db2.gz NBKZDWDCIIEWTD-HDJSIYSDSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001495110456 1018322331 /nfs/dbraw/zinc/32/23/31/1018322331.db2.gz XPGVKXVCBYYJBG-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001480238154 1018349680 /nfs/dbraw/zinc/34/96/80/1018349680.db2.gz PEBWESNQUXOHQT-SOUVJXGZSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001480237492 1018349868 /nfs/dbraw/zinc/34/98/68/1018349868.db2.gz AVBAQPJTBAPNGF-AEGPPILISA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCCCN1CC)[NH2+]CC(=O)NC1CC1 ZINC001495147367 1018351903 /nfs/dbraw/zinc/35/19/03/1018351903.db2.gz YHYDVZHNIQTLSS-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(CCc2ccnn2C)C1 ZINC001500273603 1018367335 /nfs/dbraw/zinc/36/73/35/1018367335.db2.gz DSVZPWISMDTQQG-KRWDZBQOSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(CCc2ccnn2C)C1 ZINC001500273603 1018367345 /nfs/dbraw/zinc/36/73/45/1018367345.db2.gz DSVZPWISMDTQQG-KRWDZBQOSA-N 1 3 321.469 0.885 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001497732320 1018374454 /nfs/dbraw/zinc/37/44/54/1018374454.db2.gz QTGJNOHQGSMEGV-VQGNRHNMSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001497732320 1018374465 /nfs/dbraw/zinc/37/44/65/1018374465.db2.gz QTGJNOHQGSMEGV-VQGNRHNMSA-N 1 3 322.453 0.211 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2(C)CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001500463390 1018460005 /nfs/dbraw/zinc/46/00/05/1018460005.db2.gz ZBAQPMWRUFJFPT-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2(C)CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001500463390 1018460012 /nfs/dbraw/zinc/46/00/12/1018460012.db2.gz ZBAQPMWRUFJFPT-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001495539561 1018566655 /nfs/dbraw/zinc/56/66/55/1018566655.db2.gz FIHZUBLJGZVDFN-JSGCOSHPSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001495539561 1018566666 /nfs/dbraw/zinc/56/66/66/1018566666.db2.gz FIHZUBLJGZVDFN-JSGCOSHPSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N[C@H](C)C(N)=O ZINC001480508431 1018614889 /nfs/dbraw/zinc/61/48/89/1018614889.db2.gz BPTJOPSXIVOVLR-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N[C@H](C)C(N)=O ZINC001480508431 1018614897 /nfs/dbraw/zinc/61/48/97/1018614897.db2.gz BPTJOPSXIVOVLR-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CCC[C@@H](C)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480576124 1018675972 /nfs/dbraw/zinc/67/59/72/1018675972.db2.gz YTWMSJPBEKJAJG-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN(C)C[C@@H]1CCc2ncnn21)NC(=O)CCC[NH+](C)C ZINC001498370667 1019017946 /nfs/dbraw/zinc/01/79/46/1019017946.db2.gz YFBUYMBNVBJLCZ-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496130134 1019096406 /nfs/dbraw/zinc/09/64/06/1019096406.db2.gz IUUXNAGOCFQXSE-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496130131 1019097802 /nfs/dbraw/zinc/09/78/02/1019097802.db2.gz IUUXNAGOCFQXSE-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)CN1CCCC1 ZINC001496229362 1019175939 /nfs/dbraw/zinc/17/59/39/1019175939.db2.gz HPULUTKPIJAWTF-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN1CC[C@H](NC[C@@H](NC(=O)CCC[NH+](C)C)C2CC2)C1=O ZINC001498817905 1019447793 /nfs/dbraw/zinc/44/77/93/1019447793.db2.gz ZJVCBDYYGQVIQT-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001498834574 1019458645 /nfs/dbraw/zinc/45/86/45/1019458645.db2.gz WJWBVJKZNSZONJ-SWLSCSKDSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)NC(C)(C)C)CCC2)C1 ZINC001502025788 1019633723 /nfs/dbraw/zinc/63/37/23/1019633723.db2.gz DUIXXHAHLXBLHV-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)NC(C)(C)C)CCC2)C1 ZINC001502025788 1019633729 /nfs/dbraw/zinc/63/37/29/1019633729.db2.gz DUIXXHAHLXBLHV-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CCOCC(F)F)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496816600 1019667769 /nfs/dbraw/zinc/66/77/69/1019667769.db2.gz KWAGJKFVXKMJJF-UHFFFAOYSA-N 1 3 319.396 0.754 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001502057741 1019668577 /nfs/dbraw/zinc/66/85/77/1019668577.db2.gz FNXQFLJXGVVSLW-UKRRQHHQSA-N 1 3 313.442 0.323 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCO1 ZINC001502087801 1019703624 /nfs/dbraw/zinc/70/36/24/1019703624.db2.gz SUXLDNHYJWRCSB-GJZGRUSLSA-N 1 3 315.458 0.426 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001493807123 1019726969 /nfs/dbraw/zinc/72/69/69/1019726969.db2.gz VWNGXNAOLUEHLR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502136179 1019755433 /nfs/dbraw/zinc/75/54/33/1019755433.db2.gz ZNSUMDQZMZTJDJ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001493902386 1019804416 /nfs/dbraw/zinc/80/44/16/1019804416.db2.gz BSBYMKUFCHAMOJ-ZBFHGGJFSA-N 1 3 317.433 0.910 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001496990291 1019891903 /nfs/dbraw/zinc/89/19/03/1019891903.db2.gz HJLWMJDIWCHMQQ-FSMZVQOTSA-N 1 3 303.834 0.680 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001494073380 1019967469 /nfs/dbraw/zinc/96/74/69/1019967469.db2.gz JBWCERJIUKUZLT-CQSZACIVSA-N 1 3 322.453 0.047 20 0 DCADHO C[C@@H](O)CCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760802 546395373 /nfs/dbraw/zinc/39/53/73/546395373.db2.gz PHBKPHFPAVTGOR-UONOGXRCSA-N 1 3 302.463 0.671 20 0 DCADHO C[C@@H](O)CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760802 546395378 /nfs/dbraw/zinc/39/53/78/546395378.db2.gz PHBKPHFPAVTGOR-UONOGXRCSA-N 1 3 302.463 0.671 20 0 DCADHO CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331698386 282259964 /nfs/dbraw/zinc/25/99/64/282259964.db2.gz ZSLMQPAYAADJAQ-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000364700001 299160149 /nfs/dbraw/zinc/16/01/49/299160149.db2.gz UDYSKCVBIGKLJR-NUEKZKHPSA-N 1 3 322.453 0.799 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000364700001 299160153 /nfs/dbraw/zinc/16/01/53/299160153.db2.gz UDYSKCVBIGKLJR-NUEKZKHPSA-N 1 3 322.453 0.799 20 0 DCADHO C[C@H]1NCCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@@H]1C ZINC000333642476 291194056 /nfs/dbraw/zinc/19/40/56/291194056.db2.gz IMFHLPFCODSIEO-WXLSXGNJSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@H]1NCCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@@H]1C ZINC000333642476 291194057 /nfs/dbraw/zinc/19/40/57/291194057.db2.gz IMFHLPFCODSIEO-WXLSXGNJSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000566511704 291310746 /nfs/dbraw/zinc/31/07/46/291310746.db2.gz AMJZOZKVICAHIV-SOUVJXGZSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331372 240020595 /nfs/dbraw/zinc/02/05/95/240020595.db2.gz BUPFZMGGRZOVDC-JHJVBQTASA-N 1 3 308.426 0.685 20 0 DCADHO [NH3+][C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)C1CCOCC1 ZINC000566972466 291331373 /nfs/dbraw/zinc/33/13/73/291331373.db2.gz AQAHIMFMMSDOJI-OAHLLOKOSA-N 1 3 305.378 0.861 20 0 DCADHO CN(C)CCN(Cc1ccccc1)C(=O)CCOC1C[NH2+]C1 ZINC000423731430 240244261 /nfs/dbraw/zinc/24/42/61/240244261.db2.gz OCGQBRGLDXNBDM-UHFFFAOYSA-N 1 3 305.422 0.955 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000567222488 291342808 /nfs/dbraw/zinc/34/28/08/291342808.db2.gz XVTWWMAXOBYYGI-GJZGRUSLSA-N 1 3 311.474 0.311 20 0 DCADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000336852543 252805469 /nfs/dbraw/zinc/80/54/69/252805469.db2.gz SYTXSQRECBFJKY-IHRRRGAJSA-N 1 3 312.458 0.467 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000353436952 285058534 /nfs/dbraw/zinc/05/85/34/285058534.db2.gz VEEZLYNBRGEALW-QLFBSQMISA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000353436952 285058537 /nfs/dbraw/zinc/05/85/37/285058537.db2.gz VEEZLYNBRGEALW-QLFBSQMISA-N 1 3 310.442 0.443 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000339579043 253107508 /nfs/dbraw/zinc/10/75/08/253107508.db2.gz KVVPPGWWIPCVJB-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000339672453 253124796 /nfs/dbraw/zinc/12/47/96/253124796.db2.gz YRKPLXWPPNVXCB-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000339671625 253123722 /nfs/dbraw/zinc/12/37/22/253123722.db2.gz VKSLMTVEJNVCFG-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339669181 253123988 /nfs/dbraw/zinc/12/39/88/253123988.db2.gz CEFVKMONJYUWJZ-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340261349 253226580 /nfs/dbraw/zinc/22/65/80/253226580.db2.gz QHHVWDMELLQUKU-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000346524748 254062750 /nfs/dbraw/zinc/06/27/50/254062750.db2.gz GJBVSMLJMRYAFI-DZGCQCFKSA-N 1 3 324.469 0.384 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000346527042 254063466 /nfs/dbraw/zinc/06/34/66/254063466.db2.gz JVDLGPFDBRMUSC-NWANDNLSSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000346527042 254063468 /nfs/dbraw/zinc/06/34/68/254063468.db2.gz JVDLGPFDBRMUSC-NWANDNLSSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCN(CCCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000346810677 254097872 /nfs/dbraw/zinc/09/78/72/254097872.db2.gz JGCZOFOUMQIKPV-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO COc1cc(C)c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)n1 ZINC000347042715 254124675 /nfs/dbraw/zinc/12/46/75/254124675.db2.gz LTHGRTVGOQINBR-AWEZNQCLSA-N 1 3 320.437 0.994 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000347970995 254206963 /nfs/dbraw/zinc/20/69/63/254206963.db2.gz QQKGOAKXQKNOII-YDHLFZDLSA-N 1 3 322.453 0.352 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000347970995 254206964 /nfs/dbraw/zinc/20/69/64/254206964.db2.gz QQKGOAKXQKNOII-YDHLFZDLSA-N 1 3 322.453 0.352 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000349907795 254303960 /nfs/dbraw/zinc/30/39/60/254303960.db2.gz SEBVYQJOEDMLND-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)NC(=O)NC)C1 ZINC000350180488 254313037 /nfs/dbraw/zinc/31/30/37/254313037.db2.gz FSADWPPZTJHGJU-CYBMUJFWSA-N 1 3 314.430 0.265 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351523149 254343306 /nfs/dbraw/zinc/34/33/06/254343306.db2.gz NJSRSKQGSOAQSO-HNNXBMFYSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC[C@H]1C ZINC000351535172 254344047 /nfs/dbraw/zinc/34/40/47/254344047.db2.gz DICIGVCHKPODFQ-RDBSUJKOSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351535735 254344156 /nfs/dbraw/zinc/34/41/56/254344156.db2.gz MEGWHSJVUUFXJV-CABCVRRESA-N 1 3 318.421 0.274 20 0 DCADHO CN(CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000351558767 254346865 /nfs/dbraw/zinc/34/68/65/254346865.db2.gz SQANFGNGUXSGAG-HNNXBMFYSA-N 1 3 318.421 0.103 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000351872436 254376752 /nfs/dbraw/zinc/37/67/52/254376752.db2.gz AYASCJIPTFLJLB-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001647109525 1172680062 /nfs/dbraw/zinc/68/00/62/1172680062.db2.gz XXUMANYIYPGGMD-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C/C=C/C(=O)N(C)CCN(C)C(=O)/C=C/C[NH+](C)C ZINC000271007560 395830090 /nfs/dbraw/zinc/83/00/90/395830090.db2.gz GNZMVQCRKNRURH-FIFLTTCUSA-N 1 3 310.442 0.139 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCOCC3)CC2)CC1 ZINC000051761091 395853989 /nfs/dbraw/zinc/85/39/89/395853989.db2.gz FZUNUTMNBMGGGU-UHFFFAOYSA-N 1 3 324.469 0.977 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236753652 395897949 /nfs/dbraw/zinc/89/79/49/395897949.db2.gz FINUSNVKJIANMJ-CYBMUJFWSA-N 1 3 322.457 0.909 20 0 DCADHO [NH3+]CCc1nc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cs1 ZINC000252546045 396023531 /nfs/dbraw/zinc/02/35/31/396023531.db2.gz KBKPPLVJOMYITO-WDEREUQCSA-N 1 3 310.423 0.237 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CCC[NH2+]CC1)c1ccccc1 ZINC000261836989 396071339 /nfs/dbraw/zinc/07/13/39/396071339.db2.gz CBYWIHOCTNHLTE-INIZCTEOSA-N 1 3 304.438 0.701 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261616037 396049434 /nfs/dbraw/zinc/04/94/34/396049434.db2.gz AFZJPVKPTMSLGL-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO Cc1nn(C)cc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261636126 396051065 /nfs/dbraw/zinc/05/10/65/396051065.db2.gz DKEJQGQLTJKNAV-ZBFHGGJFSA-N 1 3 319.453 0.809 20 0 DCADHO COC1(C(=O)NC[C@@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000262377185 396132943 /nfs/dbraw/zinc/13/29/43/396132943.db2.gz MNOZRFVSCZYUQJ-HNNXBMFYSA-N 1 3 303.406 0.758 20 0 DCADHO C[C@H]([NH3+])CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000261910508 396078238 /nfs/dbraw/zinc/07/82/38/396078238.db2.gz WKVSRYAVJDERFO-ZDUSSCGKSA-N 1 3 305.422 0.997 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)CCN1C(=O)CCC1=O ZINC000162189359 396079252 /nfs/dbraw/zinc/07/92/52/396079252.db2.gz NZPZMDTZFIWCPP-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279076520 396151969 /nfs/dbraw/zinc/15/19/69/396151969.db2.gz UQPNCTUSOSJVRE-JRPNMDOOSA-N 1 3 303.410 0.699 20 0 DCADHO C[C@@H](CNC(=O)NCC[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000074200488 396160571 /nfs/dbraw/zinc/16/05/71/396160571.db2.gz STCMMVZMTVLSAL-AWEZNQCLSA-N 1 3 311.474 0.263 20 0 DCADHO C[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000074200488 396160575 /nfs/dbraw/zinc/16/05/75/396160575.db2.gz STCMMVZMTVLSAL-AWEZNQCLSA-N 1 3 311.474 0.263 20 0 DCADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000262693095 396173719 /nfs/dbraw/zinc/17/37/19/396173719.db2.gz BLPGAPHYJNKQHK-TZMCWYRMSA-N 1 3 313.442 0.751 20 0 DCADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCN2CCC[C@@H]2C1 ZINC000262774208 396180774 /nfs/dbraw/zinc/18/07/74/396180774.db2.gz MSMBHNBSGXGAKO-ZIAGYGMSSA-N 1 3 303.410 0.728 20 0 DCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000269296915 396404924 /nfs/dbraw/zinc/40/49/24/396404924.db2.gz OLYACBGXMWOAQC-INIZCTEOSA-N 1 3 317.437 0.462 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[N@H+](C)CCCOC)C1(C)C ZINC000188232316 396380116 /nfs/dbraw/zinc/38/01/16/396380116.db2.gz BEWHVTJDEFDAFA-XJKSGUPXSA-N 1 3 315.458 0.603 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[N@@H+](C)CCCOC)C1(C)C ZINC000188232316 396380119 /nfs/dbraw/zinc/38/01/19/396380119.db2.gz BEWHVTJDEFDAFA-XJKSGUPXSA-N 1 3 315.458 0.603 20 0 DCADHO [NH3+]CCSCc1cn(CCCN2CCSCC2)nn1 ZINC000594655278 396494988 /nfs/dbraw/zinc/49/49/88/396494988.db2.gz ZNQJTJVJTKKFCE-UHFFFAOYSA-N 1 3 301.485 0.909 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000581012139 396519227 /nfs/dbraw/zinc/51/92/27/396519227.db2.gz VTKNQNPNZGXHAD-HNNXBMFYSA-N 1 3 308.470 0.648 20 0 DCADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[C@@H](N2CCCC2)C1 ZINC000581664160 396572735 /nfs/dbraw/zinc/57/27/35/396572735.db2.gz AXPCFUSGKJNTAS-UONOGXRCSA-N 1 3 318.425 0.340 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000561771902 396646956 /nfs/dbraw/zinc/64/69/56/396646956.db2.gz YYNNSCMJFNRXBI-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000561771902 396646960 /nfs/dbraw/zinc/64/69/60/396646960.db2.gz YYNNSCMJFNRXBI-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000581934110 396594474 /nfs/dbraw/zinc/59/44/74/396594474.db2.gz NXSQBIGIXIGKPD-KBPBESRZSA-N 1 3 310.442 0.032 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506158 396619017 /nfs/dbraw/zinc/61/90/17/396619017.db2.gz APRLKNZTPSQXIA-MRXNPFEDSA-N 1 3 311.426 0.426 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506158 396619019 /nfs/dbraw/zinc/61/90/19/396619019.db2.gz APRLKNZTPSQXIA-MRXNPFEDSA-N 1 3 311.426 0.426 20 0 DCADHO C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1N1CCN(C)CC1 ZINC000584731045 396619431 /nfs/dbraw/zinc/61/94/31/396619431.db2.gz FNORJILLPZWPAH-SOUVJXGZSA-N 1 3 309.458 0.016 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000561213211 396634352 /nfs/dbraw/zinc/63/43/52/396634352.db2.gz ZQZPKUKWUUJEOP-BMFZPTHFSA-N 1 3 300.406 0.877 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)N(C)C1 ZINC000561218627 396634470 /nfs/dbraw/zinc/63/44/70/396634470.db2.gz HVLNOXXSQDARRJ-QPSCCSFWSA-N 1 3 312.458 0.864 20 0 DCADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000561223057 396635614 /nfs/dbraw/zinc/63/56/14/396635614.db2.gz PXJYUOLXFGFEIL-GRYCIOLGSA-N 1 3 302.369 0.625 20 0 DCADHO CC(C)[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)N1CCN(C)CC1 ZINC000629562565 396787799 /nfs/dbraw/zinc/78/77/99/396787799.db2.gz OJHPMDNWPORJME-IAGOWNOFSA-N 1 3 312.502 0.305 20 0 DCADHO CC(C)[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)N1CCN(C)CC1 ZINC000629562565 396787808 /nfs/dbraw/zinc/78/78/08/396787808.db2.gz OJHPMDNWPORJME-IAGOWNOFSA-N 1 3 312.502 0.305 20 0 DCADHO O[C@H](CNCCCc1nnc2n1CCCCC2)C[NH+]1CCCC1 ZINC000629563676 396788756 /nfs/dbraw/zinc/78/87/56/396788756.db2.gz FCGCNOMYERQKSQ-OAHLLOKOSA-N 1 3 321.469 0.983 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)C1 ZINC000634186628 396806730 /nfs/dbraw/zinc/80/67/30/396806730.db2.gz WDSACOVSMPBAGQ-INIZCTEOSA-N 1 3 323.485 0.550 20 0 DCADHO CN(CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)C1CCC1 ZINC000629955247 396894237 /nfs/dbraw/zinc/89/42/37/396894237.db2.gz ZXIJWLFHVRXEHX-HNNXBMFYSA-N 1 3 322.453 0.411 20 0 DCADHO CN(CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C1CCC1 ZINC000629955247 396894242 /nfs/dbraw/zinc/89/42/42/396894242.db2.gz ZXIJWLFHVRXEHX-HNNXBMFYSA-N 1 3 322.453 0.411 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)CN1CCN(C)CC1 ZINC000333456944 396925293 /nfs/dbraw/zinc/92/52/93/396925293.db2.gz YKZYIWRGFOQMSP-KFWWJZLASA-N 1 3 311.474 0.167 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000333472928 396926265 /nfs/dbraw/zinc/92/62/65/396926265.db2.gz DOPDCPLTAYPNIX-BPUTZDHNSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000333472928 396926267 /nfs/dbraw/zinc/92/62/67/396926267.db2.gz DOPDCPLTAYPNIX-BPUTZDHNSA-N 1 3 322.453 0.633 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])N(C)C1 ZINC000333772946 396932178 /nfs/dbraw/zinc/93/21/78/396932178.db2.gz CJDBKMGUYDRXSF-CBBWQLFWSA-N 1 3 312.458 0.864 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000570943667 396939876 /nfs/dbraw/zinc/93/98/76/396939876.db2.gz FVTAUISCASNFGE-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H](C)[NH2+]C ZINC000571461328 396954670 /nfs/dbraw/zinc/95/46/70/396954670.db2.gz IAUMSUUYIBLALZ-UONOGXRCSA-N 1 3 313.442 0.860 20 0 DCADHO CC(C)N(C)C[C@H](C)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000572029369 397013539 /nfs/dbraw/zinc/01/35/39/397013539.db2.gz KVRSVQHNABUAEV-ZJIFWQFVSA-N 1 3 301.475 0.775 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000572136533 397027274 /nfs/dbraw/zinc/02/72/74/397027274.db2.gz CLGHBUWQGBPTAU-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000612547224 397090869 /nfs/dbraw/zinc/09/08/69/397090869.db2.gz AQKRKGQIODYKEJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO N[C@@H](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000377527321 397094787 /nfs/dbraw/zinc/09/47/87/397094787.db2.gz ZUKOZRJLKDZPDR-HOTGVXAUSA-N 1 3 302.422 0.583 20 0 DCADHO C[C@H](CNC(=O)c1cnn(CCN(C)C)c1)C[NH+]1CCCC1 ZINC000630775828 397102366 /nfs/dbraw/zinc/10/23/66/397102366.db2.gz PDCPYRDEXDEWRT-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377931695 397165935 /nfs/dbraw/zinc/16/59/35/397165935.db2.gz KWLOOYMCYUUKQH-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377931695 397165937 /nfs/dbraw/zinc/16/59/37/397165937.db2.gz KWLOOYMCYUUKQH-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000573466239 397171343 /nfs/dbraw/zinc/17/13/43/397171343.db2.gz MDDDKWPTYAPDGF-IUODEOHRSA-N 1 3 310.442 0.618 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000364231830 397185023 /nfs/dbraw/zinc/18/50/23/397185023.db2.gz RIFMNGOPNHNXOY-CQSZACIVSA-N 1 3 309.458 0.112 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378304006 397225288 /nfs/dbraw/zinc/22/52/88/397225288.db2.gz IGXSNNUYNAWYRN-JKSUJKDBSA-N 1 3 310.486 0.811 20 0 DCADHO CS(=O)(=O)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000400134069 397315791 /nfs/dbraw/zinc/31/57/91/397315791.db2.gz HJLFQHSMFDIKCI-AWEZNQCLSA-N 1 3 324.450 0.674 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000574636338 397286778 /nfs/dbraw/zinc/28/67/78/397286778.db2.gz ZJHMYRZONXNXRN-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO COCC1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC[NH2+]CC1 ZINC000574765517 397298371 /nfs/dbraw/zinc/29/83/71/397298371.db2.gz NORKWYAQBGGJEH-CYBMUJFWSA-N 1 3 310.442 0.539 20 0 DCADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@H]3CCN(CC4CC4)C3)c21 ZINC000592958707 397303402 /nfs/dbraw/zinc/30/34/02/397303402.db2.gz HCIQNVWZARSTPS-KGLIPLIRSA-N 1 3 317.437 0.933 20 0 DCADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)C1 ZINC000577607108 397345027 /nfs/dbraw/zinc/34/50/27/397345027.db2.gz NWSXYCUQRCABEJ-ZQDZILKHSA-N 1 3 310.442 0.347 20 0 DCADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)C1 ZINC000577607108 397345032 /nfs/dbraw/zinc/34/50/32/397345032.db2.gz NWSXYCUQRCABEJ-ZQDZILKHSA-N 1 3 310.442 0.347 20 0 DCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000577753577 397359251 /nfs/dbraw/zinc/35/92/51/397359251.db2.gz RICDZYRFEPOWIF-OAGGEKHMSA-N 1 3 324.469 0.169 20 0 DCADHO COC(=O)CC[N@H+](CC(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414699587 397368267 /nfs/dbraw/zinc/36/82/67/397368267.db2.gz JAIVSUHEGHJNSR-CQSZACIVSA-N 1 3 313.442 0.705 20 0 DCADHO COC(=O)CC[N@@H+](CC(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414699587 397368270 /nfs/dbraw/zinc/36/82/70/397368270.db2.gz JAIVSUHEGHJNSR-CQSZACIVSA-N 1 3 313.442 0.705 20 0 DCADHO c1cnc(N2CCN(CCNC[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000415092241 397368340 /nfs/dbraw/zinc/36/83/40/397368340.db2.gz SITYVGAGACWJMV-HNNXBMFYSA-N 1 3 304.442 0.188 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000417861530 397374493 /nfs/dbraw/zinc/37/44/93/397374493.db2.gz ZLZAXXYYLMHADL-QHSBEEBCSA-N 1 3 310.442 0.759 20 0 DCADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CNCCC1(F)F ZINC000418657651 397375934 /nfs/dbraw/zinc/37/59/34/397375934.db2.gz IBKXLAOYLLAZQC-TUAOUCFPSA-N 1 3 302.369 0.671 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419773017 397381850 /nfs/dbraw/zinc/38/18/50/397381850.db2.gz IGYITSDSMKGZQI-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471633383 397448145 /nfs/dbraw/zinc/44/81/45/397448145.db2.gz FWLNJAGUJMURMW-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471633383 397448150 /nfs/dbraw/zinc/44/81/50/397448150.db2.gz FWLNJAGUJMURMW-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000578173383 397400469 /nfs/dbraw/zinc/40/04/69/397400469.db2.gz NYVAUOQHPDOIOP-AWEZNQCLSA-N 1 3 300.447 0.521 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(=O)NCCN1CCCCC1 ZINC000578865077 397495028 /nfs/dbraw/zinc/49/50/28/397495028.db2.gz DBOLJEXIBPKGNL-MCIONIFRSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@H](N(C)C)C1)CC[NH2+]CC2 ZINC000578879903 397497050 /nfs/dbraw/zinc/49/70/50/397497050.db2.gz UCAMMEMOLRAXAY-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000579130357 397528714 /nfs/dbraw/zinc/52/87/14/397528714.db2.gz OMLRMTQVVPINEK-UONOGXRCSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)CC1 ZINC000579957509 397600291 /nfs/dbraw/zinc/60/02/91/397600291.db2.gz CNDAMIVYMRTQDR-NVXWUHKLSA-N 1 3 308.470 0.755 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000604206014 397634891 /nfs/dbraw/zinc/63/48/91/397634891.db2.gz ZVCUXVBSHBMYFZ-GOEBONIOSA-N 1 3 324.469 0.615 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C[C@H]1CSCCN1 ZINC000133954736 286197906 /nfs/dbraw/zinc/19/79/06/286197906.db2.gz ZJWRKUXVLFVVIP-STQMWFEESA-N 1 3 303.472 0.555 20 0 DCADHO COCC1(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC[NH2+]CC1 ZINC000333832315 292239417 /nfs/dbraw/zinc/23/94/17/292239417.db2.gz MSMFYMGCIIQXJL-GJZGRUSLSA-N 1 3 324.469 0.738 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)N2CCCC2)cc1 ZINC000262319782 292254455 /nfs/dbraw/zinc/25/44/55/292254455.db2.gz CLQQVXQZFHCSQJ-BBWFWOEESA-N 1 3 317.433 0.971 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(CC)CCC[NH2+]2)CC1 ZINC000134620235 158328843 /nfs/dbraw/zinc/32/88/43/158328843.db2.gz BQINKWAHZZPHQN-DOTOQJQBSA-N 1 3 310.486 0.908 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171681979 158385698 /nfs/dbraw/zinc/38/56/98/158385698.db2.gz JWNAZFPWQKCGSZ-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000359262353 159256930 /nfs/dbraw/zinc/25/69/30/159256930.db2.gz HCODDGDCIXRIOQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000359262353 159256931 /nfs/dbraw/zinc/25/69/31/159256931.db2.gz HCODDGDCIXRIOQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000367642662 159348049 /nfs/dbraw/zinc/34/80/49/159348049.db2.gz JCTKSCSIVUWONN-XYJFISCASA-N 1 3 322.497 0.908 20 0 DCADHO CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000367718591 159352219 /nfs/dbraw/zinc/35/22/19/159352219.db2.gz YSDFWOFBZXANHM-INIZCTEOSA-N 1 3 308.470 0.711 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2ccccn2n1 ZINC000133482254 287010982 /nfs/dbraw/zinc/01/09/82/287010982.db2.gz QUYHTRILODCIFC-UHFFFAOYSA-N 1 3 319.413 0.686 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000418173075 287240122 /nfs/dbraw/zinc/24/01/22/287240122.db2.gz PUOSDSDDOWNHAT-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H](NC(=O)N(CC[NH3+])CCO)[C@@H](c1ccccc1)N(C)C ZINC000418185615 287241976 /nfs/dbraw/zinc/24/19/76/287241976.db2.gz RALKHNYDJKDDHB-ZFWWWQNUSA-N 1 3 308.426 0.640 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418933541 287252943 /nfs/dbraw/zinc/25/29/43/287252943.db2.gz IKSXJZXHYLYIEV-AJNGGQMLSA-N 1 3 324.469 0.419 20 0 DCADHO C[N@H+](CCCCNC(=O)C(=O)N1CCCC[C@H]1CN)C1CC1 ZINC000418996320 287260415 /nfs/dbraw/zinc/26/04/15/287260415.db2.gz SKTHRKPUGYXCFK-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCCC[C@H]1CN)C1CC1 ZINC000418996320 287260420 /nfs/dbraw/zinc/26/04/20/287260420.db2.gz SKTHRKPUGYXCFK-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419046159 287263863 /nfs/dbraw/zinc/26/38/63/287263863.db2.gz PBNWWQAAXFLUFG-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000342688495 415253593 /nfs/dbraw/zinc/25/35/93/415253593.db2.gz BHULRNBWEPIBLH-KBPBESRZSA-N 1 3 311.426 0.648 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000342688495 415253598 /nfs/dbraw/zinc/25/35/98/415253598.db2.gz BHULRNBWEPIBLH-KBPBESRZSA-N 1 3 311.426 0.648 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000342695174 415256239 /nfs/dbraw/zinc/25/62/39/415256239.db2.gz OXKQTHASYJCALQ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000342699850 415260605 /nfs/dbraw/zinc/26/06/05/415260605.db2.gz WAJYCCBLJLFSJE-UONOGXRCSA-N 1 3 313.442 0.895 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000342699850 415260611 /nfs/dbraw/zinc/26/06/11/415260611.db2.gz WAJYCCBLJLFSJE-UONOGXRCSA-N 1 3 313.442 0.895 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000332269035 415321864 /nfs/dbraw/zinc/32/18/64/415321864.db2.gz BYKOIEGEBKEICJ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000332269035 415321870 /nfs/dbraw/zinc/32/18/70/415321870.db2.gz BYKOIEGEBKEICJ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000332535186 415417298 /nfs/dbraw/zinc/41/72/98/415417298.db2.gz ADZLPDILMGWCPU-TUVASFSCSA-N 1 3 322.453 0.315 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000332599345 415422690 /nfs/dbraw/zinc/42/26/90/415422690.db2.gz OFYOGXAEKGEPQA-YJNKXOJESA-N 1 3 322.453 0.328 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000424462383 287306393 /nfs/dbraw/zinc/30/63/93/287306393.db2.gz FPDDXIGPDZQNIA-LBPRGKRZSA-N 1 3 306.410 0.706 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2)C1CC1 ZINC000343290430 415530804 /nfs/dbraw/zinc/53/08/04/415530804.db2.gz WLYFFIZXRPEFNG-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000343301138 415545175 /nfs/dbraw/zinc/54/51/75/415545175.db2.gz QJZGDCGQJRSONP-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000343301138 415545185 /nfs/dbraw/zinc/54/51/85/415545185.db2.gz QJZGDCGQJRSONP-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000343308163 415551342 /nfs/dbraw/zinc/55/13/42/415551342.db2.gz ZZQRUXWVMLKQCC-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000333134273 415567026 /nfs/dbraw/zinc/56/70/26/415567026.db2.gz KBAKBNLZVQZEGB-XHSDSOJGSA-N 1 3 308.470 0.742 20 0 DCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000333134273 415567033 /nfs/dbraw/zinc/56/70/33/415567033.db2.gz KBAKBNLZVQZEGB-XHSDSOJGSA-N 1 3 308.470 0.742 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333160348 415572746 /nfs/dbraw/zinc/57/27/46/415572746.db2.gz GJWPUOSSEQUWQE-VNQPRFMTSA-N 1 3 321.469 0.158 20 0 DCADHO CC(C)C[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353645236 415611622 /nfs/dbraw/zinc/61/16/22/415611622.db2.gz SIOAGKKHNAIASP-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)C(C)(C)C ZINC000103212100 415614690 /nfs/dbraw/zinc/61/46/90/415614690.db2.gz MJSPKKGUQRNREJ-UHFFFAOYSA-N 1 3 300.447 0.101 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343403697 415590154 /nfs/dbraw/zinc/59/01/54/415590154.db2.gz NJYWLGMQYFPIIW-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343403697 415590160 /nfs/dbraw/zinc/59/01/60/415590160.db2.gz NJYWLGMQYFPIIW-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)C1(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CCCC1 ZINC000343770106 415720390 /nfs/dbraw/zinc/72/03/90/415720390.db2.gz MMTONZFXLFGULL-AGUYFDCRSA-N 1 3 307.438 0.792 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000333718896 415722363 /nfs/dbraw/zinc/72/23/63/415722363.db2.gz UFRRUHZFGOXHJG-OAHLLOKOSA-N 1 3 310.442 0.492 20 0 DCADHO COCCN(C)CCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115818661 415729160 /nfs/dbraw/zinc/72/91/60/415729160.db2.gz LHUWZHYTSOSUSP-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO COCCN(C)CCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115818661 415729181 /nfs/dbraw/zinc/72/91/81/415729181.db2.gz LHUWZHYTSOSUSP-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343836903 415746799 /nfs/dbraw/zinc/74/67/99/415746799.db2.gz VOOCGFZDWYNMOF-LUGNKYPNSA-N 1 3 305.422 0.496 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336855716 415837440 /nfs/dbraw/zinc/83/74/40/415837440.db2.gz IXOQEUPVAPOFAQ-CJNGLKHVSA-N 1 3 309.454 0.774 20 0 DCADHO CCN1C[C@H](C)[C@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000344237906 415872875 /nfs/dbraw/zinc/87/28/75/415872875.db2.gz HVKPGRZMVSJZMQ-GOEBONIOSA-N 1 3 310.486 0.859 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000126729063 415880873 /nfs/dbraw/zinc/88/08/73/415880873.db2.gz VDOILXYFKOAAFH-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000126729063 415880876 /nfs/dbraw/zinc/88/08/76/415880876.db2.gz VDOILXYFKOAAFH-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO C[NH2+]CCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000357254316 416054648 /nfs/dbraw/zinc/05/46/48/416054648.db2.gz INWVKKARESOMFF-UHFFFAOYSA-N 1 3 305.426 0.319 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCN(C)CCOC)C1 ZINC000337815609 416012228 /nfs/dbraw/zinc/01/22/28/416012228.db2.gz QJXNTRLHGYTAIQ-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCCN(C)CCOC)C1 ZINC000337815609 416012229 /nfs/dbraw/zinc/01/22/29/416012229.db2.gz QJXNTRLHGYTAIQ-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO COCCCn1nccc1CNC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000338432382 416097114 /nfs/dbraw/zinc/09/71/14/416097114.db2.gz VMWLKIAJMKUFJW-INIZCTEOSA-N 1 3 323.485 0.893 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000322749467 416121344 /nfs/dbraw/zinc/12/13/44/416121344.db2.gz CAAVHYRISMQLMN-GOEBONIOSA-N 1 3 319.453 0.543 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000339360356 416156908 /nfs/dbraw/zinc/15/69/08/416156908.db2.gz HCYOXJIYIZOWAG-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C1(N)Cc2ccccc2C1 ZINC000178841416 416174978 /nfs/dbraw/zinc/17/49/78/416174978.db2.gz ABZKWRNSKKLESV-MRXNPFEDSA-N 1 3 319.449 0.956 20 0 DCADHO CCN1CCN(CCCC[NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000341759356 416230523 /nfs/dbraw/zinc/23/05/23/416230523.db2.gz UJLANNCMGLHYQA-AWEZNQCLSA-N 1 3 305.488 0.427 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1(C)C ZINC000188145862 416262275 /nfs/dbraw/zinc/26/22/75/416262275.db2.gz LQJKSELKMUGBKR-MLGOLLRUSA-N 1 3 323.441 0.916 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358686138 416267522 /nfs/dbraw/zinc/26/75/22/416267522.db2.gz UMKPFLIOOZYJTB-NVXWUHKLSA-N 1 3 320.437 0.655 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358686138 416267526 /nfs/dbraw/zinc/26/75/26/416267526.db2.gz UMKPFLIOOZYJTB-NVXWUHKLSA-N 1 3 320.437 0.655 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342041318 416272319 /nfs/dbraw/zinc/27/23/19/416272319.db2.gz PMHPNOZQOYTYLV-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342041318 416272321 /nfs/dbraw/zinc/27/23/21/416272321.db2.gz PMHPNOZQOYTYLV-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCNC(C)(C)C2)CCCO1 ZINC000331483893 416319456 /nfs/dbraw/zinc/31/94/56/416319456.db2.gz IWBHCESPINVAIT-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCNC(C)(C)C2)CCCO1 ZINC000331483893 416319458 /nfs/dbraw/zinc/31/94/58/416319458.db2.gz IWBHCESPINVAIT-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[NH+](C)CCOCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415981246 416358498 /nfs/dbraw/zinc/35/84/98/416358498.db2.gz BOYYGHIWDNBKAR-UHFFFAOYSA-N 1 3 322.409 0.868 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415407744 416341554 /nfs/dbraw/zinc/34/15/54/416341554.db2.gz BMUNCEGDWABRJS-LBPRGKRZSA-N 1 3 320.437 0.967 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419844569 416414311 /nfs/dbraw/zinc/41/43/11/416414311.db2.gz MAFAYCRSUGHKSF-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000419954259 416415420 /nfs/dbraw/zinc/41/54/20/416415420.db2.gz LYUIAGHVJBCVNQ-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000360166138 416376559 /nfs/dbraw/zinc/37/65/59/416376559.db2.gz WXZNYISDTUYAGN-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000360166138 416376560 /nfs/dbraw/zinc/37/65/60/416376560.db2.gz WXZNYISDTUYAGN-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCCO[C@@H](C)C2)CC[NH2+]1 ZINC000418122231 416385761 /nfs/dbraw/zinc/38/57/61/416385761.db2.gz XXEZABBDVNRKBX-QLFBSQMISA-N 1 3 312.458 0.927 20 0 DCADHO C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)[C@H]1CCC[NH2+]C1 ZINC000418307236 416385983 /nfs/dbraw/zinc/38/59/83/416385983.db2.gz CPKSXEICDHNZSD-SOUVJXGZSA-N 1 3 312.458 0.521 20 0 DCADHO CN(C)C[C@](C)(O)CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662574 416388484 /nfs/dbraw/zinc/38/84/84/416388484.db2.gz DEDLWHSNIPLMRY-UMVBOHGHSA-N 1 3 300.447 0.363 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000418907111 416393445 /nfs/dbraw/zinc/39/34/45/416393445.db2.gz GJDDYHYJPSRAHA-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419034396 416395839 /nfs/dbraw/zinc/39/58/39/416395839.db2.gz ZLRVOIZXOXNMQZ-MJBXVCDLSA-N 1 3 312.458 0.147 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419292341 416398725 /nfs/dbraw/zinc/39/87/25/416398725.db2.gz YHNBFDSIWWBBAY-HNNXBMFYSA-N 1 3 320.437 0.651 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419292341 416398726 /nfs/dbraw/zinc/39/87/26/416398726.db2.gz YHNBFDSIWWBBAY-HNNXBMFYSA-N 1 3 320.437 0.651 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)C1CC1 ZINC000419501425 416402916 /nfs/dbraw/zinc/40/29/16/416402916.db2.gz BMHOEHQOWXHJAG-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419764804 416409361 /nfs/dbraw/zinc/40/93/61/416409361.db2.gz PSFSHVVNQPJPHY-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419772721 416410157 /nfs/dbraw/zinc/41/01/57/416410157.db2.gz ZBSNTCFECLMGGG-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@H]1[NH3+] ZINC000419785084 416411643 /nfs/dbraw/zinc/41/16/43/416411643.db2.gz YHGRKNGFEOGAGT-JHJVBQTASA-N 1 3 310.442 0.029 20 0 DCADHO [NH3+]C[C@H]1CCCC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000423057246 416461984 /nfs/dbraw/zinc/46/19/84/416461984.db2.gz YXXPERCXBMLYSF-CHWSQXEVSA-N 1 3 308.426 0.958 20 0 DCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000423057246 416461988 /nfs/dbraw/zinc/46/19/88/416461988.db2.gz YXXPERCXBMLYSF-CHWSQXEVSA-N 1 3 308.426 0.958 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423060979 416462147 /nfs/dbraw/zinc/46/21/47/416462147.db2.gz JHYRKKHONSIXKW-HUUCEWRRSA-N 1 3 324.469 0.101 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)CC[N@@H+]1C ZINC000458446867 416471490 /nfs/dbraw/zinc/47/14/90/416471490.db2.gz RANSKNGAARGKMF-KFWWJZLASA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)CC[N@H+]1C ZINC000458446867 416471496 /nfs/dbraw/zinc/47/14/96/416471496.db2.gz RANSKNGAARGKMF-KFWWJZLASA-N 1 3 312.458 0.615 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000423173279 416474280 /nfs/dbraw/zinc/47/42/80/416474280.db2.gz XUJJJKBNCFCJPG-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423159891 416474304 /nfs/dbraw/zinc/47/43/04/416474304.db2.gz YRDFBZQCSXSREQ-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423201553 416477333 /nfs/dbraw/zinc/47/73/33/416477333.db2.gz IWFKTYREWINLHU-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423201553 416477336 /nfs/dbraw/zinc/47/73/36/416477336.db2.gz IWFKTYREWINLHU-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423238629 416480296 /nfs/dbraw/zinc/48/02/96/416480296.db2.gz RJDNVWNJUQCGHF-UONOGXRCSA-N 1 3 312.458 0.371 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000423232868 416480759 /nfs/dbraw/zinc/48/07/59/416480759.db2.gz IWUBBEGPQMQOOY-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)CCN1C ZINC000361754740 416489257 /nfs/dbraw/zinc/48/92/57/416489257.db2.gz NZGZLNPSAWPJQF-AEFFLSMTSA-N 1 3 324.513 0.855 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C)[C@@H](C)C1 ZINC000361229215 416426676 /nfs/dbraw/zinc/42/66/76/416426676.db2.gz LYFUSKHIHQDJHZ-JYJNAYRXSA-N 1 3 301.475 0.636 20 0 DCADHO C[C@@H]1CN(C2CC[NH+](CCN3CCCOCC3)CC2)CCO1 ZINC000361301508 416428647 /nfs/dbraw/zinc/42/86/47/416428647.db2.gz XADMLRHEMFTSOC-MRXNPFEDSA-N 1 3 311.470 0.894 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000361355752 416430883 /nfs/dbraw/zinc/43/08/83/416430883.db2.gz IRBCSZRYWJHGPI-GDBMZVCRSA-N 1 3 310.486 0.859 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458374060 416460027 /nfs/dbraw/zinc/46/00/27/416460027.db2.gz BUBFAFJUQJMLRZ-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458374060 416460030 /nfs/dbraw/zinc/46/00/30/416460030.db2.gz BUBFAFJUQJMLRZ-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000423589892 416524675 /nfs/dbraw/zinc/52/46/75/416524675.db2.gz IJQJCEAFMOQACG-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO CCCN(C(=O)C(=O)N(C)CCN(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423670062 416538557 /nfs/dbraw/zinc/53/85/57/416538557.db2.gz YVGWCJVLTCKFLH-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C1CC[NH2+]CC1 ZINC000423699421 416542891 /nfs/dbraw/zinc/54/28/91/416542891.db2.gz PSVLRCSBYRYBKT-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000486976334 416553935 /nfs/dbraw/zinc/55/39/35/416553935.db2.gz ZFHUBRSWJBNOIV-HLLBOEOZSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000486976334 416553939 /nfs/dbraw/zinc/55/39/39/416553939.db2.gz ZFHUBRSWJBNOIV-HLLBOEOZSA-N 1 3 322.497 0.811 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000423745350 416555723 /nfs/dbraw/zinc/55/57/23/416555723.db2.gz MHVKLRCHIDUORX-ZIAGYGMSSA-N 1 3 315.483 0.651 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CCO1 ZINC000423748613 416559352 /nfs/dbraw/zinc/55/93/52/416559352.db2.gz ATLJKUSQIQKTMV-AEFFLSMTSA-N 1 3 317.433 0.707 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423359907 416497178 /nfs/dbraw/zinc/49/71/78/416497178.db2.gz LBXALFANZZZHRB-OLZOCXBDSA-N 1 3 308.430 0.477 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000584166948 416503079 /nfs/dbraw/zinc/50/30/79/416503079.db2.gz VYAXMCXDDDQXQK-XQLPTFJDSA-N 1 3 322.453 0.123 20 0 DCADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000584162798 416504703 /nfs/dbraw/zinc/50/47/03/416504703.db2.gz KKTQZLNNCSYIIU-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CN(CCN)C(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423452157 416513264 /nfs/dbraw/zinc/51/32/64/416513264.db2.gz WAALJIYTOVEXHE-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000423769917 416564594 /nfs/dbraw/zinc/56/45/94/416564594.db2.gz CQPVLKCNYLYION-ARLBYUKCSA-N 1 3 303.406 0.346 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000441671122 416680277 /nfs/dbraw/zinc/68/02/77/416680277.db2.gz SLQXZLMUTSWCRK-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCCC[C@@H]3CCC[NH2+]3)C[C@H]2N)cn1 ZINC000424466954 416650295 /nfs/dbraw/zinc/65/02/95/416650295.db2.gz LZDMEKAHYXLVRQ-SOUVJXGZSA-N 1 3 320.441 0.388 20 0 DCADHO CC[C@@]1(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000368366828 416661716 /nfs/dbraw/zinc/66/17/16/416661716.db2.gz IOPJHZWXJVFKIQ-YOEHRIQHSA-N 1 3 308.470 0.803 20 0 DCADHO COCCn1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cn1 ZINC000441344825 416669721 /nfs/dbraw/zinc/66/97/21/416669721.db2.gz FUZQUMOLRFPUFV-UHFFFAOYSA-N 1 3 309.458 0.645 20 0 DCADHO COCCN1CC[C@H](NC(=O)C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000516865136 416746824 /nfs/dbraw/zinc/74/68/24/416746824.db2.gz QFZPLOXLXABTFE-CVEARBPZSA-N 1 3 305.422 0.783 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000516561570 416725719 /nfs/dbraw/zinc/72/57/19/416725719.db2.gz AVNHTQKKXDPOKZ-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000557139410 416725978 /nfs/dbraw/zinc/72/59/78/416725978.db2.gz FNUZOCKAIRUJGP-GJZGRUSLSA-N 1 3 311.474 0.391 20 0 DCADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](CC[NH3+])C1 ZINC000443059850 416729788 /nfs/dbraw/zinc/72/97/88/416729788.db2.gz NMWGXIHTSHAOLC-UWVGGRQHSA-N 1 3 324.347 0.824 20 0 DCADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631846183 416759613 /nfs/dbraw/zinc/75/96/13/416759613.db2.gz WKNMFXLLKBMSAQ-OAHLLOKOSA-N 1 3 314.393 0.543 20 0 DCADHO CNC(=O)c1ccc(C[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000631846183 416759622 /nfs/dbraw/zinc/75/96/22/416759622.db2.gz WKNMFXLLKBMSAQ-OAHLLOKOSA-N 1 3 314.393 0.543 20 0 DCADHO CNC(=O)c1ccc(CN2CC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631846183 416759626 /nfs/dbraw/zinc/75/96/26/416759626.db2.gz WKNMFXLLKBMSAQ-OAHLLOKOSA-N 1 3 314.393 0.543 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631905248 416788097 /nfs/dbraw/zinc/78/80/97/416788097.db2.gz IRHVARQTVGIIQE-UONOGXRCSA-N 1 3 303.472 0.861 20 0 DCADHO C[C@H]([NH3+])C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631903460 416789432 /nfs/dbraw/zinc/78/94/32/416789432.db2.gz JQWOPTOHEPHWHP-ZDUSSCGKSA-N 1 3 303.472 0.861 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000517235640 416792129 /nfs/dbraw/zinc/79/21/29/416792129.db2.gz VCNKISOTMOYKRY-RDBSUJKOSA-N 1 3 315.483 0.812 20 0 DCADHO C[C@H](CC(=O)NC[C@@H](C)N(C)C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000443952849 416794616 /nfs/dbraw/zinc/79/46/16/416794616.db2.gz YSBOTAAHTHDOPM-ZSOGYDGISA-N 1 3 314.474 0.535 20 0 DCADHO C[C@H](CNC(=O)C[C@@H](C)CC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000443952849 416794623 /nfs/dbraw/zinc/79/46/23/416794623.db2.gz YSBOTAAHTHDOPM-ZSOGYDGISA-N 1 3 314.474 0.535 20 0 DCADHO CC[NH2+]CCCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000517539677 416808913 /nfs/dbraw/zinc/80/89/13/416808913.db2.gz TWGKIXFQXORPIN-UHFFFAOYSA-N 1 3 313.490 0.701 20 0 DCADHO CC[C@@H](C(=O)NCCN(CC)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000444357354 416836183 /nfs/dbraw/zinc/83/61/83/416836183.db2.gz ODCHRKSAFBMGNW-KBPBESRZSA-N 1 3 314.474 0.632 20 0 DCADHO CC[NH+]1CCC(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000624136667 416964341 /nfs/dbraw/zinc/96/43/41/416964341.db2.gz QIVCFQRUTPENJE-ZIAGYGMSSA-N 1 3 303.472 0.921 20 0 DCADHO C[C@H]1COCCN1C1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000520248776 416951536 /nfs/dbraw/zinc/95/15/36/416951536.db2.gz KOMDSOXNOJJACV-YOEHRIQHSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H]1COCCN1C1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000520248776 416951544 /nfs/dbraw/zinc/95/15/44/416951544.db2.gz KOMDSOXNOJJACV-YOEHRIQHSA-N 1 3 311.470 0.627 20 0 DCADHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000429457663 416976210 /nfs/dbraw/zinc/97/62/10/416976210.db2.gz VGKBVESWAMFEOG-STQMWFEESA-N 1 3 306.476 0.139 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000520839450 416978668 /nfs/dbraw/zinc/97/86/68/416978668.db2.gz FDDRSMJZLREPTQ-RRFJBIMHSA-N 1 3 322.453 0.267 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785695 417096447 /nfs/dbraw/zinc/09/64/47/417096447.db2.gz DMMAIWOMYMPTIU-ZIAGYGMSSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785741 417099461 /nfs/dbraw/zinc/09/94/61/417099461.db2.gz GHBNMQHZMDLRKL-QEJZJMRPSA-N 1 3 322.453 0.315 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000637257798 417054189 /nfs/dbraw/zinc/05/41/89/417054189.db2.gz AKNFZSYIQBBYDJ-RBSFLKMASA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000637257798 417054198 /nfs/dbraw/zinc/05/41/98/417054198.db2.gz AKNFZSYIQBBYDJ-RBSFLKMASA-N 1 3 310.442 0.369 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCC(C)CC1 ZINC000642644443 417065312 /nfs/dbraw/zinc/06/53/12/417065312.db2.gz IEOWHLZDDOVDAP-KFWWJZLASA-N 1 3 322.453 0.043 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000642698679 417072614 /nfs/dbraw/zinc/07/26/14/417072614.db2.gz DHHHBUNGPBXVND-IHRRRGAJSA-N 1 3 322.453 0.173 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000430937311 417085204 /nfs/dbraw/zinc/08/52/04/417085204.db2.gz AUWVDVRGBNNSRG-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000430937308 417085613 /nfs/dbraw/zinc/08/56/13/417085613.db2.gz AUWVDVRGBNNSRG-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642733341 417085646 /nfs/dbraw/zinc/08/56/46/417085646.db2.gz FIROVZKMBFHLLL-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000642731689 417085841 /nfs/dbraw/zinc/08/58/41/417085841.db2.gz KKFULKNQSKCZJV-KKUMJFAQSA-N 1 3 322.453 0.030 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000642773425 417093615 /nfs/dbraw/zinc/09/36/15/417093615.db2.gz XULOVXDVUOCYHT-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO [NH3+]CCOCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390981539 417105012 /nfs/dbraw/zinc/10/50/12/417105012.db2.gz WEAUUZIVEQQBJG-MRXNPFEDSA-N 1 3 321.421 0.369 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642809756 417107346 /nfs/dbraw/zinc/10/73/46/417107346.db2.gz LCTJHUUUYKVVEI-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642809789 417108137 /nfs/dbraw/zinc/10/81/37/417108137.db2.gz TYHHWXVMWXYIGB-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000568270994 417117145 /nfs/dbraw/zinc/11/71/45/417117145.db2.gz NNSACKYBNGCHKD-BFHYXJOUSA-N 1 3 305.378 0.139 20 0 DCADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000637455661 417117495 /nfs/dbraw/zinc/11/74/95/417117495.db2.gz MWMYGDLSVLDTQN-LXTVHRRPSA-N 1 3 314.474 0.933 20 0 DCADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000449114330 417123410 /nfs/dbraw/zinc/12/34/10/417123410.db2.gz IMINEKZFCIKYNL-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000642941724 417129892 /nfs/dbraw/zinc/12/98/92/417129892.db2.gz JCDPCYSKUJWYCT-KGLIPLIRSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000642969038 417134655 /nfs/dbraw/zinc/13/46/55/417134655.db2.gz DHWHFYXCVSCHPU-CABCVRRESA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642985832 417138935 /nfs/dbraw/zinc/13/89/35/417138935.db2.gz CHYHCQWEPSCNCE-ILXRZTDVSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cccnc1 ZINC000525449799 417140491 /nfs/dbraw/zinc/14/04/91/417140491.db2.gz YRFIPKGYWYRLEF-UHFFFAOYSA-N 1 3 307.442 0.759 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449329061 417141285 /nfs/dbraw/zinc/14/12/85/417141285.db2.gz HJFGFGRNOGXZHF-ZIAGYGMSSA-N 1 3 322.457 0.736 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000642989323 417141804 /nfs/dbraw/zinc/14/18/04/417141804.db2.gz PHSMTNGMWBLDRF-LJISPDSOSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2(N)CCC2)CC1 ZINC000449333647 417142377 /nfs/dbraw/zinc/14/23/77/417142377.db2.gz BUZXLNPVPFQDNV-GJZGRUSLSA-N 1 3 308.470 0.885 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000568534619 417150096 /nfs/dbraw/zinc/15/00/96/417150096.db2.gz PLUORMDKFJQDMQ-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643394625 417191088 /nfs/dbraw/zinc/19/10/88/417191088.db2.gz YYPADSONYQNKCJ-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643394625 417191092 /nfs/dbraw/zinc/19/10/92/417191092.db2.gz YYPADSONYQNKCJ-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000643394626 417191203 /nfs/dbraw/zinc/19/12/03/417191203.db2.gz YYPADSONYQNKCJ-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643394626 417191210 /nfs/dbraw/zinc/19/12/10/417191210.db2.gz YYPADSONYQNKCJ-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637813979 417196255 /nfs/dbraw/zinc/19/62/55/417196255.db2.gz HJOALEZAVSQXFX-CVEARBPZSA-N 1 3 304.438 0.562 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CCOCC[NH3+] ZINC000626982462 417197661 /nfs/dbraw/zinc/19/76/61/417197661.db2.gz IEAGCTAKQJFGIQ-AWEZNQCLSA-N 1 3 300.447 0.868 20 0 DCADHO CC(C)c1ccc([C@H](N)CNC(=O)CN2CC[NH2+]CC2)cc1 ZINC000637831086 417203897 /nfs/dbraw/zinc/20/38/97/417203897.db2.gz PVOHKJJRTSLPGX-MRXNPFEDSA-N 1 3 304.438 0.831 20 0 DCADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@@H]1CC[NH2+]C1 ZINC000627011916 417206997 /nfs/dbraw/zinc/20/69/97/417206997.db2.gz MOJROYCLNLAXHZ-CVEARBPZSA-N 1 3 318.421 0.414 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000637861048 417210053 /nfs/dbraw/zinc/21/00/53/417210053.db2.gz GRWBEBOBSUZJIH-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000569086999 417213098 /nfs/dbraw/zinc/21/30/98/417213098.db2.gz PTIHRZILZMTMOI-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CCNC(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCCCC1 ZINC000569093717 417213539 /nfs/dbraw/zinc/21/35/39/417213539.db2.gz MCZURKIFJRVUGB-HUUCEWRRSA-N 1 3 311.474 0.535 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CCN1C ZINC000433397893 417266606 /nfs/dbraw/zinc/26/66/06/417266606.db2.gz CHMSLWFAARRTGU-UPJWGTAASA-N 1 3 306.414 0.415 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000569746048 417291652 /nfs/dbraw/zinc/29/16/52/417291652.db2.gz WVBHWBUAAZKHIH-SOUVJXGZSA-N 1 3 324.469 0.419 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433379763 417260301 /nfs/dbraw/zinc/26/03/01/417260301.db2.gz VXZNTDAJCUULGW-CQSZACIVSA-N 1 3 318.425 0.559 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433389486 417263175 /nfs/dbraw/zinc/26/31/75/417263175.db2.gz XTQNGLLMCPEFDL-KBPBESRZSA-N 1 3 320.441 0.759 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433390059 417263774 /nfs/dbraw/zinc/26/37/74/417263774.db2.gz ZDEGEEPVXTXVBE-UONOGXRCSA-N 1 3 320.441 0.664 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000627326572 417355156 /nfs/dbraw/zinc/35/51/56/417355156.db2.gz VBJKLIMNUCKIRZ-GFCCVEGCSA-N 1 3 300.447 0.276 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633100175 417359074 /nfs/dbraw/zinc/35/90/74/417359074.db2.gz NUBBBZQTXFNZLX-BARDWOONSA-N 1 3 320.437 0.034 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000638162215 417359518 /nfs/dbraw/zinc/35/95/18/417359518.db2.gz FNOXNUBRVSRBMK-MRXNPFEDSA-N 1 3 318.465 0.952 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000638162182 417359954 /nfs/dbraw/zinc/35/99/54/417359954.db2.gz FASOEDVKCKIMFJ-FUHWJXTLSA-N 1 3 318.465 0.952 20 0 DCADHO COCC[N@H+](C)CCNC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000638090238 417319412 /nfs/dbraw/zinc/31/94/12/417319412.db2.gz DCWWFHKLXMWAAU-HNNXBMFYSA-N 1 3 309.410 0.259 20 0 DCADHO COCC[N@@H+](C)CCNC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000638090238 417319418 /nfs/dbraw/zinc/31/94/18/417319418.db2.gz DCWWFHKLXMWAAU-HNNXBMFYSA-N 1 3 309.410 0.259 20 0 DCADHO COCCN1CC[C@H](NC(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638101904 417327095 /nfs/dbraw/zinc/32/70/95/417327095.db2.gz SIMBIZGMVQNLES-INIZCTEOSA-N 1 3 317.433 0.712 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000627291776 417333383 /nfs/dbraw/zinc/33/33/83/417333383.db2.gz DOEPGZMSKAGSTO-OAHLLOKOSA-N 1 3 320.437 0.083 20 0 DCADHO C[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@H](C[NH3+])C1 ZINC000415225465 417344732 /nfs/dbraw/zinc/34/47/32/417344732.db2.gz ZXOGPDYYSFQCFO-STQMWFEESA-N 1 3 308.430 1.036 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638234083 417387996 /nfs/dbraw/zinc/38/79/96/417387996.db2.gz XPWWVKFYWMQEKI-SRABZTEZSA-N 1 3 318.465 0.948 20 0 DCADHO NC(C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C(F)(F)F ZINC000571047128 417418448 /nfs/dbraw/zinc/41/84/48/417418448.db2.gz UUUQYVXPVOQBID-GMTAPVOTSA-N 1 3 309.332 0.621 20 0 DCADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)ccc1CN(C)C ZINC000415315313 417365553 /nfs/dbraw/zinc/36/55/53/417365553.db2.gz LMJWXLYVICIFHZ-OAHLLOKOSA-N 1 3 318.421 0.863 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000633117116 417371737 /nfs/dbraw/zinc/37/17/37/417371737.db2.gz ZMXSVDPCEFBRNJ-MCIONIFRSA-N 1 3 308.426 0.021 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000638204865 417372694 /nfs/dbraw/zinc/37/26/94/417372694.db2.gz RMFKNMZPCZUVCR-KBPBESRZSA-N 1 3 301.431 0.086 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000638674349 417531095 /nfs/dbraw/zinc/53/10/95/417531095.db2.gz UKKYCSOJHDZVOQ-XJKSGUPXSA-N 1 3 305.378 0.874 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638729527 417544090 /nfs/dbraw/zinc/54/40/90/417544090.db2.gz QETFXOIXFVKZRC-UONOGXRCSA-N 1 3 311.426 0.206 20 0 DCADHO CC(C)[C@@H](C[NH3+])CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000634994085 417556134 /nfs/dbraw/zinc/55/61/34/417556134.db2.gz QACNXZFSGPXCSE-AWEZNQCLSA-N 1 3 306.458 0.792 20 0 DCADHO O[C@]1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000634642548 417522284 /nfs/dbraw/zinc/52/22/84/417522284.db2.gz LYHYDLNDLFWXFU-KZNAEPCWSA-N 1 3 301.434 0.775 20 0 DCADHO CC(C)[NH2+]CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167409205 545878097 /nfs/dbraw/zinc/87/80/97/545878097.db2.gz KQXYOPWMACJOBG-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635138527 417587974 /nfs/dbraw/zinc/58/79/74/417587974.db2.gz YPKPFYQOOCUFHF-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000576383421 417604380 /nfs/dbraw/zinc/60/43/80/417604380.db2.gz OYPBWXVXRQNFQD-CQSZACIVSA-N 1 3 306.410 0.590 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000576383421 417604383 /nfs/dbraw/zinc/60/43/83/417604383.db2.gz OYPBWXVXRQNFQD-CQSZACIVSA-N 1 3 306.410 0.590 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC000639024680 417605798 /nfs/dbraw/zinc/60/57/98/417605798.db2.gz WJRYDODAGZECDP-DZGCQCFKSA-N 1 3 305.426 0.659 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639032994 417607836 /nfs/dbraw/zinc/60/78/36/417607836.db2.gz AQHCYWUXZVAUEH-HDJSIYSDSA-N 1 3 301.431 0.357 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1=O ZINC000638818637 417564566 /nfs/dbraw/zinc/56/45/66/417564566.db2.gz CZJRTMNFKRRRIY-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454555973 417568667 /nfs/dbraw/zinc/56/86/67/417568667.db2.gz YHHWOCGWGGRJEU-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454555973 417568673 /nfs/dbraw/zinc/56/86/73/417568673.db2.gz YHHWOCGWGGRJEU-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@]1(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC[NH2+]C1 ZINC000575987216 417569725 /nfs/dbraw/zinc/56/97/25/417569725.db2.gz HSYMDDXPXHLREW-OAHLLOKOSA-N 1 3 300.366 0.869 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000576639529 417625405 /nfs/dbraw/zinc/62/54/05/417625405.db2.gz CILLBIWVILXBDF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCOc1cnccc1CNC[C@H](O)Cn1cccn1 ZINC000644648652 417638389 /nfs/dbraw/zinc/63/83/89/417638389.db2.gz YFIFFFSHDYBJBO-HNNXBMFYSA-N 1 3 319.409 0.369 20 0 DCADHO COCC[N@H+](C)C[C@@H](O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000577122313 417665824 /nfs/dbraw/zinc/66/58/24/417665824.db2.gz QHCRJCHGXVNCPV-CVEARBPZSA-N 1 3 300.443 0.817 20 0 DCADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000577122313 417665830 /nfs/dbraw/zinc/66/58/30/417665830.db2.gz QHCRJCHGXVNCPV-CVEARBPZSA-N 1 3 300.443 0.817 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCCN(C)C1=O ZINC000635502292 417680576 /nfs/dbraw/zinc/68/05/76/417680576.db2.gz CPYAHYNJOVECKB-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000580565427 417711725 /nfs/dbraw/zinc/71/17/25/417711725.db2.gz LNPFZJWIICOCGZ-DOMZBBRYSA-N 1 3 312.458 0.275 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580725188 417723574 /nfs/dbraw/zinc/72/35/74/417723574.db2.gz PGBUJFXSESCLND-GJZGRUSLSA-N 1 3 324.469 0.659 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000635663554 417734732 /nfs/dbraw/zinc/73/47/32/417734732.db2.gz HEHQDMWIWMZAAJ-ZNMIVQPWSA-N 1 3 313.442 0.323 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635704548 417743449 /nfs/dbraw/zinc/74/34/49/417743449.db2.gz WIYYDCVSKMLTMO-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000630747986 417824102 /nfs/dbraw/zinc/82/41/02/417824102.db2.gz BHJUPGXTVBXSCV-CABCVRRESA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000630747986 417824106 /nfs/dbraw/zinc/82/41/06/417824106.db2.gz BHJUPGXTVBXSCV-CABCVRRESA-N 1 3 305.426 0.801 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645953233 417830223 /nfs/dbraw/zinc/83/02/23/417830223.db2.gz KKUVJWYEYQOGPP-KBPBESRZSA-N 1 3 318.425 0.244 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000645953305 417831555 /nfs/dbraw/zinc/83/15/55/417831555.db2.gz OYTRDKBTVUWTJF-JALIKCBVSA-N 1 3 305.422 0.402 20 0 DCADHO CO[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)[C@@](C)(CO)C1 ZINC000639997585 417775395 /nfs/dbraw/zinc/77/53/95/417775395.db2.gz ARKKLMCBZMLJNF-IAGOWNOFSA-N 1 3 313.486 0.874 20 0 DCADHO CO[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@](C)(CO)C1 ZINC000639997585 417775398 /nfs/dbraw/zinc/77/53/98/417775398.db2.gz ARKKLMCBZMLJNF-IAGOWNOFSA-N 1 3 313.486 0.874 20 0 DCADHO COC1CCN(CCNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000646181001 417798996 /nfs/dbraw/zinc/79/89/96/417798996.db2.gz PBKJHNYLWJNMMN-MRXNPFEDSA-N 1 3 305.422 0.956 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000635956293 417812442 /nfs/dbraw/zinc/81/24/42/417812442.db2.gz WQOLDPSPWIYRBM-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000635956293 417812445 /nfs/dbraw/zinc/81/24/45/417812445.db2.gz WQOLDPSPWIYRBM-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000652131485 417848560 /nfs/dbraw/zinc/84/85/60/417848560.db2.gz ZVOJFTTWABQZAY-UHFFFAOYSA-N 1 3 300.447 0.725 20 0 DCADHO C[C@@H](CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)N(C)C ZINC000652197901 417861435 /nfs/dbraw/zinc/86/14/35/417861435.db2.gz PEANGUROTRHACZ-BYNSBNAKSA-N 1 3 312.458 0.864 20 0 DCADHO Cc1ncc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)n1C ZINC000657490148 417864097 /nfs/dbraw/zinc/86/40/97/417864097.db2.gz GEVMDCNHBJAIQA-UHFFFAOYSA-N 1 3 321.469 0.615 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662726449 417875041 /nfs/dbraw/zinc/87/50/41/417875041.db2.gz PTNNUWOBYIRPBG-KBPBESRZSA-N 1 3 313.442 0.356 20 0 DCADHO CCN1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000652446892 417909546 /nfs/dbraw/zinc/90/95/46/417909546.db2.gz DNCZDDOXUFQQCU-XHSDSOJGSA-N 1 3 309.454 0.944 20 0 DCADHO COC[C@H](CC1CCOCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000657845937 417909846 /nfs/dbraw/zinc/90/98/46/417909846.db2.gz MBBXQPSQFOTXIX-JKSUJKDBSA-N 1 3 300.443 0.864 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662661227 417840710 /nfs/dbraw/zinc/84/07/10/417840710.db2.gz NFLXKYVKXSGCRN-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659984 417840921 /nfs/dbraw/zinc/84/09/21/417840921.db2.gz RLCXXZBCGLTHHS-AWEZNQCLSA-N 1 3 314.474 0.476 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[C@@H](C)[NH3+] ZINC000646002857 417843893 /nfs/dbraw/zinc/84/38/93/417843893.db2.gz HPRUSPZXFUDEOS-OAGGEKHMSA-N 1 3 310.486 0.844 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[C@@H](C)[NH3+] ZINC000646002858 417844270 /nfs/dbraw/zinc/84/42/70/417844270.db2.gz HPRUSPZXFUDEOS-PMPSAXMXSA-N 1 3 310.486 0.844 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662675087 417846138 /nfs/dbraw/zinc/84/61/38/417846138.db2.gz JDPUYFGYSONHAQ-HZPDHXFCSA-N 1 3 321.421 0.607 20 0 DCADHO O=C(NC[C@@H]1CCN(C2CC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646419087 417846369 /nfs/dbraw/zinc/84/63/69/417846369.db2.gz MHQCZEZPWQROCN-STQMWFEESA-N 1 3 318.425 0.244 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662837253 417921464 /nfs/dbraw/zinc/92/14/64/417921464.db2.gz HRAYKEFBWOGOGJ-SOUVJXGZSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662840181 417923517 /nfs/dbraw/zinc/92/35/17/417923517.db2.gz YUERCUXOWAFPGY-YDHLFZDLSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662840181 417923522 /nfs/dbraw/zinc/92/35/22/417923522.db2.gz YUERCUXOWAFPGY-YDHLFZDLSA-N 1 3 310.442 0.219 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000662858219 417926743 /nfs/dbraw/zinc/92/67/43/417926743.db2.gz FIQSMOGEHKBSKB-HOTGVXAUSA-N 1 3 303.406 0.621 20 0 DCADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859491 417928742 /nfs/dbraw/zinc/92/87/42/417928742.db2.gz NKTIBUMTOKGPLQ-HOTGVXAUSA-N 1 3 305.422 0.853 20 0 DCADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859491 417928750 /nfs/dbraw/zinc/92/87/50/417928750.db2.gz NKTIBUMTOKGPLQ-HOTGVXAUSA-N 1 3 305.422 0.853 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652682713 417943728 /nfs/dbraw/zinc/94/37/28/417943728.db2.gz RSTLPIHVXZTXMW-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652682798 417944179 /nfs/dbraw/zinc/94/41/79/417944179.db2.gz VIWQIOMWJKPFAJ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652692768 417946635 /nfs/dbraw/zinc/94/66/35/417946635.db2.gz CBNVUPAWUWOUOI-CYBMUJFWSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000652701706 417948695 /nfs/dbraw/zinc/94/86/95/417948695.db2.gz HTIVSIWWNANTMD-KRWDZBQOSA-N 1 3 324.469 0.437 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652709282 417952448 /nfs/dbraw/zinc/95/24/48/417952448.db2.gz NYZMCMHQUWUYQQ-CYBMUJFWSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652711510 417952756 /nfs/dbraw/zinc/95/27/56/417952756.db2.gz UASHNWBQKGUIBR-ZDUSSCGKSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725634 417956660 /nfs/dbraw/zinc/95/66/60/417956660.db2.gz OPPTWRHCBNHSFA-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@@H]1[NH3+] ZINC000652732920 417959630 /nfs/dbraw/zinc/95/96/30/417959630.db2.gz WPOBEGFGLAACEN-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658652068 418003257 /nfs/dbraw/zinc/00/32/57/418003257.db2.gz IWJYABPMIXHDSW-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653047747 418016958 /nfs/dbraw/zinc/01/69/58/418016958.db2.gz PWLXSFZZUJBBCR-GJZGRUSLSA-N 1 3 315.421 0.960 20 0 DCADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106302 418026541 /nfs/dbraw/zinc/02/65/41/418026541.db2.gz ZVLYNIFELVBROJ-JZXOWHBKSA-N 1 3 315.417 0.613 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H](N)CC[NH+](C)C)C[C@@H](C)O1 ZINC000653110991 418028203 /nfs/dbraw/zinc/02/82/03/418028203.db2.gz AHIZSPILGUJVOX-KFWWJZLASA-N 1 3 314.474 0.271 20 0 DCADHO CN(CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)Cc1ccccc1 ZINC000653112963 418029668 /nfs/dbraw/zinc/02/96/68/418029668.db2.gz OCXPWVZVXQRPHM-RDJZCZTQSA-N 1 3 303.406 0.471 20 0 DCADHO C[C@H](Cn1cccn1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663641993 418042743 /nfs/dbraw/zinc/04/27/43/418042743.db2.gz NJPXNFMJXHVJIS-LSDHHAIUSA-N 1 3 324.473 0.843 20 0 DCADHO C[C@H](Cn1cccn1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663641993 418042746 /nfs/dbraw/zinc/04/27/46/418042746.db2.gz NJPXNFMJXHVJIS-LSDHHAIUSA-N 1 3 324.473 0.843 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223127 418045509 /nfs/dbraw/zinc/04/55/09/418045509.db2.gz BPPNGTRJERZHRA-AWEZNQCLSA-N 1 3 310.373 0.000 20 0 DCADHO [NH3+]C[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000659024363 418046272 /nfs/dbraw/zinc/04/62/72/418046272.db2.gz BHEMSCVDYLLQBK-GHMZBOCLSA-N 1 3 324.347 0.429 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000641214663 417990925 /nfs/dbraw/zinc/99/09/25/417990925.db2.gz GSFAMCWAUPJCDZ-MRXNPFEDSA-N 1 3 303.410 0.662 20 0 DCADHO COc1ncncc1CNCC1CC[NH+](CCN(C)C)CC1 ZINC000647179949 417996189 /nfs/dbraw/zinc/99/61/89/417996189.db2.gz XDSIELXNWWRMEZ-UHFFFAOYSA-N 1 3 307.442 0.848 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659521023 418110206 /nfs/dbraw/zinc/11/02/06/418110206.db2.gz BFLGMXAOXWENRP-LSDHHAIUSA-N 1 3 312.458 0.912 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659521012 418110889 /nfs/dbraw/zinc/11/08/89/418110889.db2.gz BFLGMXAOXWENRP-HUUCEWRRSA-N 1 3 312.458 0.912 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659541071 418115604 /nfs/dbraw/zinc/11/56/04/418115604.db2.gz ZKLIYYZUCRSLOS-ZDUSSCGKSA-N 1 3 305.426 0.940 20 0 DCADHO [NH3+]C/C=C/CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659544790 418116145 /nfs/dbraw/zinc/11/61/45/418116145.db2.gz XGVCPZZMOIIMKB-PYKQWIPUSA-N 1 3 318.421 0.567 20 0 DCADHO COCCN1CCC[C@H]1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000647909229 418073143 /nfs/dbraw/zinc/07/31/43/418073143.db2.gz XJCJNHGCHVHOOJ-INIZCTEOSA-N 1 3 313.486 0.922 20 0 DCADHO COCCN1CCC[C@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909229 418073148 /nfs/dbraw/zinc/07/31/48/418073148.db2.gz XJCJNHGCHVHOOJ-INIZCTEOSA-N 1 3 313.486 0.922 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)c1cn(CC[NH3+])nn1 ZINC000659321455 418081246 /nfs/dbraw/zinc/08/12/46/418081246.db2.gz AICYLKXKYUIYPM-ZDUSSCGKSA-N 1 3 302.382 0.229 20 0 DCADHO COC[C@@]1(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[NH2+]C1 ZINC000659364114 418086952 /nfs/dbraw/zinc/08/69/52/418086952.db2.gz HQCMSXPOKWAGIK-DOTOQJQBSA-N 1 3 319.405 0.912 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CCO1 ZINC000664127515 418088730 /nfs/dbraw/zinc/08/87/30/418088730.db2.gz HVQRKDIMVRELMT-ZBFHGGJFSA-N 1 3 324.469 0.975 20 0 DCADHO CCC[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659458997 418100004 /nfs/dbraw/zinc/10/00/04/418100004.db2.gz BPUQHACCUPXCBF-UHFFFAOYSA-N 1 3 322.413 0.315 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659480801 418103805 /nfs/dbraw/zinc/10/38/05/418103805.db2.gz SXZGYADRUNINDF-XJKSGUPXSA-N 1 3 320.437 0.660 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCC3([NH3+])CCCC3)C[C@H]2N)cn1 ZINC000659575965 418121407 /nfs/dbraw/zinc/12/14/07/418121407.db2.gz WXDBRKHUACQPFM-QWHCGFSZSA-N 1 3 306.414 0.128 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000659634484 418132740 /nfs/dbraw/zinc/13/27/40/418132740.db2.gz ASTDFIONJATAND-SOUVJXGZSA-N 1 3 311.474 0.262 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631460 418133137 /nfs/dbraw/zinc/13/31/37/418133137.db2.gz FHPCQXGZWYTBAN-LLVKDONJSA-N 1 3 322.413 0.313 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000659755925 418177095 /nfs/dbraw/zinc/17/70/95/418177095.db2.gz NJCXLCUOGIRMEA-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000659758249 418178561 /nfs/dbraw/zinc/17/85/61/418178561.db2.gz ZXOGOSRFYSTJKR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654488247 418152494 /nfs/dbraw/zinc/15/24/94/418152494.db2.gz YMYMNGNCUOOGEL-QLFBSQMISA-N 1 3 310.442 0.321 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659702915 418153881 /nfs/dbraw/zinc/15/38/81/418153881.db2.gz TVLHESHPUOIGPH-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)C1=CCN(C)CC1 ZINC000659702731 418153907 /nfs/dbraw/zinc/15/39/07/418153907.db2.gz SOFSOVKSWSGMRV-LBPRGKRZSA-N 1 3 308.426 0.141 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000659713030 418157940 /nfs/dbraw/zinc/15/79/40/418157940.db2.gz AEMRUXFBIJZVGY-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000659719723 418161513 /nfs/dbraw/zinc/16/15/13/418161513.db2.gz LEZDZZYAQPZHKC-UONOGXRCSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654603633 418166365 /nfs/dbraw/zinc/16/63/65/418166365.db2.gz KYIRORSYFPEXGS-LSDHHAIUSA-N 1 3 312.458 0.425 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654603633 418166366 /nfs/dbraw/zinc/16/63/66/418166366.db2.gz KYIRORSYFPEXGS-LSDHHAIUSA-N 1 3 312.458 0.425 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733708 418168966 /nfs/dbraw/zinc/16/89/66/418168966.db2.gz WSWNLZBFUNGNOZ-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(CCC)C1)[C@@H]1CC[NH2+]C1 ZINC000659739637 418172167 /nfs/dbraw/zinc/17/21/67/418172167.db2.gz XYGLXQIUSALPFF-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659741169 418172479 /nfs/dbraw/zinc/17/24/79/418172479.db2.gz GUHHILKYDZRJSK-QWHCGFSZSA-N 1 3 312.458 0.465 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649330197 418239969 /nfs/dbraw/zinc/23/99/69/418239969.db2.gz CMDOZCFGDJFPBG-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000649373425 418248204 /nfs/dbraw/zinc/24/82/04/418248204.db2.gz YRDYZLWOYPPQBD-OAHLLOKOSA-N 1 3 308.470 0.805 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000654767372 418185135 /nfs/dbraw/zinc/18/51/35/418185135.db2.gz XWOHRAALPLFVOH-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000654767372 418185138 /nfs/dbraw/zinc/18/51/38/418185138.db2.gz XWOHRAALPLFVOH-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274674 418191483 /nfs/dbraw/zinc/19/14/83/418191483.db2.gz VQWYUASNLSTLPV-MZBWOGCUSA-N 1 3 323.481 0.972 20 0 DCADHO O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)NC1CCN(C2CC2)CC1 ZINC000649419124 418253962 /nfs/dbraw/zinc/25/39/62/418253962.db2.gz GENVFFWAIMQHKM-XJKSGUPXSA-N 1 3 306.454 0.413 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000661024880 418311234 /nfs/dbraw/zinc/31/12/34/418311234.db2.gz BBDRPZLNLYMANJ-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCC1 ZINC000656023771 418319345 /nfs/dbraw/zinc/31/93/45/418319345.db2.gz FEHQAEJNXKJLHX-OLZOCXBDSA-N 1 3 308.426 0.117 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449613 418262842 /nfs/dbraw/zinc/26/28/42/418262842.db2.gz LLVZXARALXUKLV-SJLPKXTDSA-N 1 3 322.497 0.910 20 0 DCADHO NC[C@H](NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)C(F)(F)F ZINC000655515178 418271300 /nfs/dbraw/zinc/27/13/00/418271300.db2.gz IRIQAZZWPCKTFJ-AAEUAGOBSA-N 1 3 301.312 0.924 20 0 DCADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000656211589 418336266 /nfs/dbraw/zinc/33/62/66/418336266.db2.gz GNOSMOZBJZHFDW-TXEJJXNPSA-N 1 3 323.445 0.848 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC1 ZINC000656310033 418343922 /nfs/dbraw/zinc/34/39/22/418343922.db2.gz XDGAPLVXUPYKSI-XBXGTLAGSA-N 1 3 310.442 0.043 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662441415 418410253 /nfs/dbraw/zinc/41/02/53/418410253.db2.gz HIRRYIAVBUJYAJ-CHWSQXEVSA-N 1 3 321.425 0.327 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662453530 418410873 /nfs/dbraw/zinc/41/08/73/418410873.db2.gz BUNQPRCQQYVPTK-AWEZNQCLSA-N 1 3 320.441 0.807 20 0 DCADHO C[NH2+]CCCN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337989 418402600 /nfs/dbraw/zinc/40/26/00/418402600.db2.gz OQRHWLIUWNZQII-CQSZACIVSA-N 1 3 306.458 0.608 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000354652861 261251775 /nfs/dbraw/zinc/25/17/75/261251775.db2.gz DZSVMRPQNQUXDE-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354655965 261251960 /nfs/dbraw/zinc/25/19/60/261251960.db2.gz HOYBSZNZODJINL-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354692810 261260866 /nfs/dbraw/zinc/26/08/66/261260866.db2.gz NXDFGOWCXQNRTM-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC[NH+]1CCN(CCC(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000354902863 261284577 /nfs/dbraw/zinc/28/45/77/261284577.db2.gz GLMDBNODLIPJNR-UHFFFAOYSA-N 1 3 308.470 0.711 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355260200 261323068 /nfs/dbraw/zinc/32/30/68/261323068.db2.gz AXUNIQZYGCFOLJ-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCOCCN(C)C ZINC000355331643 261332463 /nfs/dbraw/zinc/33/24/63/261332463.db2.gz AOJNSPKPJASHDY-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)(N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000357389685 261535209 /nfs/dbraw/zinc/53/52/09/261535209.db2.gz LHAGEPQCVFISFP-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362564788 262047206 /nfs/dbraw/zinc/04/72/06/262047206.db2.gz OBZRMQAEKFOSEE-QWHCGFSZSA-N 1 3 321.425 0.327 20 0 DCADHO CC(CCN1CCC[C@H]1C(N)=O)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000411161002 262166024 /nfs/dbraw/zinc/16/60/24/262166024.db2.gz XYLYRHVOMXDERB-KBPBESRZSA-N 1 3 310.442 0.302 20 0 DCADHO CC(CCN1CCC[C@H]1C(N)=O)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000411161002 262166026 /nfs/dbraw/zinc/16/60/26/262166026.db2.gz XYLYRHVOMXDERB-KBPBESRZSA-N 1 3 310.442 0.302 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000416975767 262242660 /nfs/dbraw/zinc/24/26/60/262242660.db2.gz ZYAXGWOTKYFFMT-ZSHCYNCHSA-N 1 3 318.421 0.644 20 0 DCADHO CN(CC[NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417105689 262246368 /nfs/dbraw/zinc/24/63/68/262246368.db2.gz GRLSQSAECMYHII-UHFFFAOYSA-N 1 3 300.472 0.948 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417303804 262250079 /nfs/dbraw/zinc/25/00/79/262250079.db2.gz YJSRNVYVQVPVTI-HIFRSBDPSA-N 1 3 312.458 0.866 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417743999 262259944 /nfs/dbraw/zinc/25/99/44/262259944.db2.gz CIMCGVSPXAAYNS-QLFBSQMISA-N 1 3 312.458 0.642 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCSC1 ZINC000417838154 262263847 /nfs/dbraw/zinc/26/38/47/262263847.db2.gz VWSDMESJJRFFKR-NFAWXSAZSA-N 1 3 312.483 0.817 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417953916 262265770 /nfs/dbraw/zinc/26/57/70/262265770.db2.gz PRXIIQRLRCBLLY-GFCCVEGCSA-N 1 3 309.414 0.416 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417945267 262266104 /nfs/dbraw/zinc/26/61/04/262266104.db2.gz FINUTFWNQKJDCY-LBPRGKRZSA-N 1 3 309.414 0.559 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N(C)C2CC([NH3+])C2)ccn1 ZINC000417955543 262266306 /nfs/dbraw/zinc/26/63/06/262266306.db2.gz RXUIMCVUUJXBRK-UHFFFAOYSA-N 1 3 321.425 0.653 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000418404828 262276468 /nfs/dbraw/zinc/27/64/68/262276468.db2.gz QUMOSBJZDCIDEF-HNNXBMFYSA-N 1 3 310.442 0.478 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418416798 262276777 /nfs/dbraw/zinc/27/67/77/262276777.db2.gz WDSKMXNUBCINNU-HIFRSBDPSA-N 1 3 312.458 0.864 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418435719 262278397 /nfs/dbraw/zinc/27/83/97/262278397.db2.gz IAKLYUYKMACWJJ-ZDUSSCGKSA-N 1 3 300.447 0.650 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418479612 262278567 /nfs/dbraw/zinc/27/85/67/262278567.db2.gz AOULXWLFGAHIRQ-CQSZACIVSA-N 1 3 311.474 0.439 20 0 DCADHO NC[C@H](NC(=O)N(CC[NH3+])CCO)c1ccc2ccccc2c1 ZINC000418498129 262279070 /nfs/dbraw/zinc/27/90/70/262279070.db2.gz JIUSVWVDRMOTCP-INIZCTEOSA-N 1 3 316.405 0.802 20 0 DCADHO COCC[NH2+]CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000418498304 262279130 /nfs/dbraw/zinc/27/91/30/262279130.db2.gz LVQFVDWCDXBPAU-UHFFFAOYSA-N 1 3 312.458 0.882 20 0 DCADHO COCCNCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418514320 262280076 /nfs/dbraw/zinc/28/00/76/262280076.db2.gz WWUMNOQAMGGJPU-LSDHHAIUSA-N 1 3 306.410 0.277 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418570400 262282467 /nfs/dbraw/zinc/28/24/67/262282467.db2.gz QNJGZFDRCVJNPS-XJKSGUPXSA-N 1 3 306.410 0.270 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)NC[C@@H]1C[NH2+]CCCO1 ZINC000418642285 262284592 /nfs/dbraw/zinc/28/45/92/262284592.db2.gz TUBCYOSLDJZZSL-GOEBONIOSA-N 1 3 318.421 0.551 20 0 DCADHO COC[C@]1(CNC(=O)N(CCN(C)C)C(C)C)CCC[NH2+]1 ZINC000418652791 262285494 /nfs/dbraw/zinc/28/54/94/262285494.db2.gz JPZUCUANSDRFPO-OAHLLOKOSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418692424 262286482 /nfs/dbraw/zinc/28/64/82/262286482.db2.gz IOAKGJMTKRNKIT-HUUCEWRRSA-N 1 3 314.474 0.896 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418757019 262286967 /nfs/dbraw/zinc/28/69/67/262286967.db2.gz HDSVYIOOVLHBTP-AWEZNQCLSA-N 1 3 323.441 0.256 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418847043 262292840 /nfs/dbraw/zinc/29/28/40/262292840.db2.gz ZTRUBGZQLQLXFU-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418876466 262294857 /nfs/dbraw/zinc/29/48/57/262294857.db2.gz MCSMJZNJHVMZCZ-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000418932926 262299792 /nfs/dbraw/zinc/29/97/92/262299792.db2.gz ICGBBVKRNSBFSP-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418931727 262299830 /nfs/dbraw/zinc/29/98/30/262299830.db2.gz HGMMJFDHLIMECB-ZIAGYGMSSA-N 1 3 314.474 0.665 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419073862 262306636 /nfs/dbraw/zinc/30/66/36/262306636.db2.gz CXUWUHJZIRGCBP-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000419083353 262307678 /nfs/dbraw/zinc/30/76/78/262307678.db2.gz WORBBZSNACUYLY-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419083309 262307939 /nfs/dbraw/zinc/30/79/39/262307939.db2.gz WEFDVGPBEBCXFV-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419084451 262308025 /nfs/dbraw/zinc/30/80/25/262308025.db2.gz YOZCWIOCKCJUNE-ILXRZTDVSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000419119461 262310317 /nfs/dbraw/zinc/31/03/17/262310317.db2.gz JWIDUOTYCITPQE-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H]1CN ZINC000419135161 262312986 /nfs/dbraw/zinc/31/29/86/262312986.db2.gz KTAUEHXIBJURMO-KBUPBQIOSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419135108 262313156 /nfs/dbraw/zinc/31/31/56/262313156.db2.gz KKQVQJGCYYNJQZ-MJBXVCDLSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419158865 262314510 /nfs/dbraw/zinc/31/45/10/262314510.db2.gz NKIFPGJLLBSKMD-KFWWJZLASA-N 1 3 324.469 0.609 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000419169898 262316770 /nfs/dbraw/zinc/31/67/70/262316770.db2.gz MVHYUNMGIHLQJH-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419175736 262317078 /nfs/dbraw/zinc/31/70/78/262317078.db2.gz XYLFDMQOLKAJCS-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419233554 262322190 /nfs/dbraw/zinc/32/21/90/262322190.db2.gz WIJDQFTZXMSSIK-HUUCEWRRSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419234215 262322207 /nfs/dbraw/zinc/32/22/07/262322207.db2.gz XFNMHKBXCGZYDS-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419283761 262323827 /nfs/dbraw/zinc/32/38/27/262323827.db2.gz KELHZUYNYBWUCJ-ZNMIVQPWSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000419406293 262330219 /nfs/dbraw/zinc/33/02/19/262330219.db2.gz IJNOMYZXJLQYEO-HUUCEWRRSA-N 1 3 324.469 0.422 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419411318 262331023 /nfs/dbraw/zinc/33/10/23/262331023.db2.gz BMRVNFGYQWHKIG-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419410477 262331515 /nfs/dbraw/zinc/33/15/15/262331515.db2.gz OKMSQFDAWDKOQJ-WMLDXEAASA-N 1 3 324.469 0.340 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419412421 262331933 /nfs/dbraw/zinc/33/19/33/262331933.db2.gz QURWGJUGMQKXQB-UHFFFAOYSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419484021 262334281 /nfs/dbraw/zinc/33/42/81/262334281.db2.gz SJMUXESATPSDSP-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419484021 262334282 /nfs/dbraw/zinc/33/42/82/262334282.db2.gz SJMUXESATPSDSP-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419595101 262339760 /nfs/dbraw/zinc/33/97/60/262339760.db2.gz VVPSQPGYXZYZSC-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419690847 262345346 /nfs/dbraw/zinc/34/53/46/262345346.db2.gz CVPXVIOSYJCRQF-VNHYZAJKSA-N 1 3 322.453 0.234 20 0 DCADHO C[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419694973 262346382 /nfs/dbraw/zinc/34/63/82/262346382.db2.gz KBWIVABSPPKXIB-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699192 262347485 /nfs/dbraw/zinc/34/74/85/262347485.db2.gz VQKXROFLXTVMOV-KCQAQPDRSA-N 1 3 322.453 0.363 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419851805 262349410 /nfs/dbraw/zinc/34/94/10/262349410.db2.gz JQOHZOPQTRCRPU-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420089038 262360239 /nfs/dbraw/zinc/36/02/39/262360239.db2.gz RNZWOXYIYJGTOJ-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423610651 262449863 /nfs/dbraw/zinc/44/98/63/262449863.db2.gz MUOCSGWUWBRDNN-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N(CC)CC ZINC000428982270 262597521 /nfs/dbraw/zinc/59/75/21/262597521.db2.gz ZNWOYJCGKGKMNC-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000418732363 271252977 /nfs/dbraw/zinc/25/29/77/271252977.db2.gz UNNYGFWWHYIPNN-RRFJBIMHSA-N 1 3 312.458 0.650 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000418843131 271258560 /nfs/dbraw/zinc/25/85/60/271258560.db2.gz RKCXNZCMYDXNIL-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419028432 271266042 /nfs/dbraw/zinc/26/60/42/271266042.db2.gz QJIXPBYHUCAULU-MJBXVCDLSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419028881 271267604 /nfs/dbraw/zinc/26/76/04/271267604.db2.gz QUXCGNFHDABUJU-RDBSUJKOSA-N 1 3 312.458 0.195 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419278946 271281662 /nfs/dbraw/zinc/28/16/62/271281662.db2.gz BSASYFVKQCSLAW-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N(C)C1CC1 ZINC000419577943 271309948 /nfs/dbraw/zinc/30/99/48/271309948.db2.gz DJPWTCRMOBARDA-UPJWGTAASA-N 1 3 310.442 0.029 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@@H](C)N(C)C1CC1)C1CC[NH2+]CC1 ZINC000419584649 271310698 /nfs/dbraw/zinc/31/06/98/271310698.db2.gz LCSHXQRYHLAKBL-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N1CCC[C@@H]1CN)[NH+]1CCCCC1 ZINC000419710473 271324738 /nfs/dbraw/zinc/32/47/38/271324738.db2.gz INLZUVFYKWVIMQ-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419810427 271326437 /nfs/dbraw/zinc/32/64/37/271326437.db2.gz FPHOPSFBTBKBRY-MCIONIFRSA-N 1 3 310.442 0.363 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419810427 271326440 /nfs/dbraw/zinc/32/64/40/271326440.db2.gz FPHOPSFBTBKBRY-MCIONIFRSA-N 1 3 310.442 0.363 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419861215 271334583 /nfs/dbraw/zinc/33/45/83/271334583.db2.gz LPEBSIPCYJUKQJ-CQSZACIVSA-N 1 3 322.409 0.023 20 0 DCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NCC[NH2+]C ZINC000419863246 271335825 /nfs/dbraw/zinc/33/58/25/271335825.db2.gz CCTWILXFTODXAX-UHFFFAOYSA-N 1 3 320.437 0.432 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419947379 271347785 /nfs/dbraw/zinc/34/77/85/271347785.db2.gz CKEMHVUSCGNSPP-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419947379 271347787 /nfs/dbraw/zinc/34/77/87/271347787.db2.gz CKEMHVUSCGNSPP-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000420148111 271359531 /nfs/dbraw/zinc/35/95/31/271359531.db2.gz SYVFSJNIJAHJKG-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000420130486 271359757 /nfs/dbraw/zinc/35/97/57/271359757.db2.gz WEDBYDJLUPXTMR-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000420130486 271359762 /nfs/dbraw/zinc/35/97/62/271359762.db2.gz WEDBYDJLUPXTMR-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420214295 271365778 /nfs/dbraw/zinc/36/57/78/271365778.db2.gz VGAFTJCWXCSXKT-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO CCCS(=O)(=O)N1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422858479 271389566 /nfs/dbraw/zinc/38/95/66/271389566.db2.gz ITZIYLJWMJBANO-GXTWGEPZSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C[NH3+] ZINC000424055035 271394743 /nfs/dbraw/zinc/39/47/43/271394743.db2.gz BAYQCHKXKGPJJE-CBBWQLFWSA-N 1 3 324.469 0.228 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)CC1 ZINC000424065349 271396917 /nfs/dbraw/zinc/39/69/17/271396917.db2.gz FBFIRQUFIWATHR-JYJNAYRXSA-N 1 3 310.486 0.846 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443063125 271696650 /nfs/dbraw/zinc/69/66/50/271696650.db2.gz VZKACUSNTJBMQB-ZFWWWQNUSA-N 1 3 310.442 0.126 20 0 DCADHO C[NH+](C)CCOCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000471661456 272028757 /nfs/dbraw/zinc/02/87/57/272028757.db2.gz DBXPXYZGZBACQC-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO CCNc1nc(NC[C@H](C)C[NH+](C)C)nc(NC(C)(C)C)n1 ZINC000488978159 272055754 /nfs/dbraw/zinc/05/57/54/272055754.db2.gz JHXVEHUJHJNNDU-NSHDSACASA-N 1 3 309.462 0.967 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000531118876 287767700 /nfs/dbraw/zinc/76/77/00/287767700.db2.gz LXTRRQJCEPZWNA-UHFFFAOYSA-N 1 3 319.409 0.834 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000539902992 287897811 /nfs/dbraw/zinc/89/78/11/287897811.db2.gz AQEZIGMXXLTFDY-ZIAGYGMSSA-N 1 3 300.447 0.689 20 0 DCADHO C[NH2+]CC1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000430950579 277265207 /nfs/dbraw/zinc/26/52/07/277265207.db2.gz RTKOZXIPBAOPIQ-OCCSQVGLSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])C1CC1 ZINC000419501230 279189645 /nfs/dbraw/zinc/18/96/45/279189645.db2.gz AXUDCUQRKURXQJ-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000454617258 279359203 /nfs/dbraw/zinc/35/92/03/279359203.db2.gz KETDRPXRHRBLDB-GJZGRUSLSA-N 1 3 313.490 0.509 20 0 DCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000261906589 280274541 /nfs/dbraw/zinc/27/45/41/280274541.db2.gz PNNAOZKORGGPME-ZBFHGGJFSA-N 1 3 320.437 0.505 20 0 DCADHO CN(CCCC[N@H+](C)[C@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000551751504 288234397 /nfs/dbraw/zinc/23/43/97/288234397.db2.gz MBBGQNSMSPQIBM-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CN(CCCC[N@@H+](C)[C@H]1CCN(C)C1=O)[C@H]1CCN(C)C1=O ZINC000551751504 288234399 /nfs/dbraw/zinc/23/43/99/288234399.db2.gz MBBGQNSMSPQIBM-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CC1(C)CC(NC(=O)C(=O)N[C@@H](CN)C2CC2)CC(C)(C)[NH2+]1 ZINC000419717102 280906661 /nfs/dbraw/zinc/90/66/61/280906661.db2.gz AKYWGZJDFRWJIQ-LBPRGKRZSA-N 1 3 310.442 0.265 20 0 DCADHO CC[C@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000343763162 288426708 /nfs/dbraw/zinc/42/67/08/288426708.db2.gz GNZWWMAEGGNWSW-QGZVFWFLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)N1CCC(C)CC1 ZINC000563561448 288686231 /nfs/dbraw/zinc/68/62/31/288686231.db2.gz LHGLTXGKTNNARY-GJZGRUSLSA-N 1 3 311.474 0.310 20 0 DCADHO CCn1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1=O ZINC000563798040 288704137 /nfs/dbraw/zinc/70/41/37/288704137.db2.gz NULDRYAESVDLBB-UHFFFAOYSA-N 1 3 323.441 0.825 20 0 DCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(CC[NH3+])CC1 ZINC000565096350 288817637 /nfs/dbraw/zinc/81/76/37/288817637.db2.gz OPMBVNDCRQXVOY-LBPRGKRZSA-N 1 3 310.442 0.160 20 0 DCADHO CN(C)C/C=C/C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000364596040 289037807 /nfs/dbraw/zinc/03/78/07/289037807.db2.gz SAONOUJHQMVDAA-IQIBNGDESA-N 1 3 308.470 0.733 20 0 DCADHO CN(C)C/C=C/C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000364596040 289037809 /nfs/dbraw/zinc/03/78/09/289037809.db2.gz SAONOUJHQMVDAA-IQIBNGDESA-N 1 3 308.470 0.733 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000339598691 289043246 /nfs/dbraw/zinc/04/32/46/289043246.db2.gz YQNGAPXTJDDTDT-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C(=O)N1CCCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178982390 289264028 /nfs/dbraw/zinc/26/40/28/289264028.db2.gz RMHMDSOBTFYDSU-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351563506 289353447 /nfs/dbraw/zinc/35/34/47/289353447.db2.gz KXYZCLWRYNYJPN-LSDHHAIUSA-N 1 3 318.421 0.274 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000419891683 295312019 /nfs/dbraw/zinc/31/20/19/295312019.db2.gz IYVIAQRGRYPIDG-QLFBSQMISA-N 1 3 322.453 0.459 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CN1C1CC1 ZINC000333157792 297275590 /nfs/dbraw/zinc/27/55/90/297275590.db2.gz FZMAEXCWPJIHNV-IIAWOOMASA-N 1 3 321.469 0.301 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001650182542 1173503595 /nfs/dbraw/zinc/50/35/95/1173503595.db2.gz LPFHSNFHNCGRNE-ZIAGYGMSSA-N 1 3 312.458 0.737 20 0 DCADHO NC[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000570715648 332805751 /nfs/dbraw/zinc/80/57/51/332805751.db2.gz LPPACMGCRHKXBV-HOTGVXAUSA-N 1 3 302.422 0.235 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[C@@H]1[NH3+] ZINC000584166879 331849831 /nfs/dbraw/zinc/84/98/31/331849831.db2.gz MJMRGOMHMCIWCU-KFWWJZLASA-N 1 3 322.453 0.269 20 0 DCADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000583080980 337237042 /nfs/dbraw/zinc/23/70/42/337237042.db2.gz AHLAHMHRWKJMNQ-CPUCHLNUSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580725190 340705112 /nfs/dbraw/zinc/70/51/12/340705112.db2.gz PGBUJFXSESCLND-LSDHHAIUSA-N 1 3 324.469 0.659 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001569229945 1160987071 /nfs/dbraw/zinc/98/70/71/1160987071.db2.gz MPDFMXOVJRHHGM-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364214366 519765776 /nfs/dbraw/zinc/76/57/76/519765776.db2.gz MPIVBFWXOMGAEO-WBVHZDCISA-N 1 3 309.454 0.992 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(CCOC)C1 ZINC000365938204 521722173 /nfs/dbraw/zinc/72/21/73/521722173.db2.gz SEMXZCWMZCNKAH-XHSDSOJGSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(CCOC)C1 ZINC000365938204 521722175 /nfs/dbraw/zinc/72/21/75/521722175.db2.gz SEMXZCWMZCNKAH-XHSDSOJGSA-N 1 3 324.469 0.975 20 0 DCADHO C[NH2+]CCCC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000237179514 521988851 /nfs/dbraw/zinc/98/88/51/521988851.db2.gz ZKDFVEMCVOMABZ-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO C[NH2+]CCCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000237181670 521989568 /nfs/dbraw/zinc/98/95/68/521989568.db2.gz XMMLLDIPBYUUDO-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)CN1CCN(C)CC1 ZINC000364224065 524385811 /nfs/dbraw/zinc/38/58/11/524385811.db2.gz YOUNYMHPTVFYDU-HZPDHXFCSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000237325915 524990980 /nfs/dbraw/zinc/99/09/80/524990980.db2.gz OWWBMBWPUUPBHZ-CYBMUJFWSA-N 1 3 306.410 0.599 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)c1cccc(CN2CCCC2)c1 ZINC000238088255 526315605 /nfs/dbraw/zinc/31/56/05/526315605.db2.gz AZENVHFWLWJMKQ-UHFFFAOYSA-N 1 3 316.449 0.917 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410806655 528432832 /nfs/dbraw/zinc/43/28/32/528432832.db2.gz FVRSWPIGUFGMNK-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000411019811 529072674 /nfs/dbraw/zinc/07/26/74/529072674.db2.gz FVIWCSGPZHZXLB-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000411019811 529072678 /nfs/dbraw/zinc/07/26/78/529072678.db2.gz FVIWCSGPZHZXLB-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)CCCC[NH+](C)C)CC1=O ZINC000081789218 545694982 /nfs/dbraw/zinc/69/49/82/545694982.db2.gz OMRMNCNZWTVBCA-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H](C)CN1 ZINC000333132219 546072907 /nfs/dbraw/zinc/07/29/07/546072907.db2.gz BWNDDFYASTUGTE-XOUADPBQSA-N 1 3 324.469 0.756 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000333633116 546086792 /nfs/dbraw/zinc/08/67/92/546086792.db2.gz WASWHSUXOHTPHR-RFQIPJPRSA-N 1 3 306.414 0.126 20 0 DCADHO O=C(NC[C@H]1CCCCN1C1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000333733276 546090893 /nfs/dbraw/zinc/09/08/93/546090893.db2.gz IARUFSINDPBGQA-CABCVRRESA-N 1 3 310.442 0.681 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)CN1CCOCC1 ZINC000336866653 546098353 /nfs/dbraw/zinc/09/83/53/546098353.db2.gz PDEJLYKWHBNWAB-INIZCTEOSA-N 1 3 313.486 0.732 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)CN1CCOCC1 ZINC000336866653 546098359 /nfs/dbraw/zinc/09/83/59/546098359.db2.gz PDEJLYKWHBNWAB-INIZCTEOSA-N 1 3 313.486 0.732 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000342983918 546126202 /nfs/dbraw/zinc/12/62/02/546126202.db2.gz HLGMVHLCKCWXIF-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000342983918 546126206 /nfs/dbraw/zinc/12/62/06/546126206.db2.gz HLGMVHLCKCWXIF-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000342981089 546126257 /nfs/dbraw/zinc/12/62/57/546126257.db2.gz ZWAZHFVGKSWAAB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1CCN(CCO)CC1 ZINC000358699093 546193819 /nfs/dbraw/zinc/19/38/19/546193819.db2.gz FALBIXQLZHOBRW-AWEZNQCLSA-N 1 3 314.474 0.719 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1CCN(CCO)CC1 ZINC000358699093 546193825 /nfs/dbraw/zinc/19/38/25/546193825.db2.gz FALBIXQLZHOBRW-AWEZNQCLSA-N 1 3 314.474 0.719 20 0 DCADHO COC1(CO)CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000402926064 546227371 /nfs/dbraw/zinc/22/73/71/546227371.db2.gz QHPCHBKTVRLSPU-HOTGVXAUSA-N 1 3 308.422 0.391 20 0 DCADHO CCN(CCCCC[N@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440965791 546254432 /nfs/dbraw/zinc/25/44/32/546254432.db2.gz HXGVJMOVVKKNFD-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCCC[N@@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440965791 546254436 /nfs/dbraw/zinc/25/44/36/546254436.db2.gz HXGVJMOVVKKNFD-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637471598 546333030 /nfs/dbraw/zinc/33/30/30/546333030.db2.gz WGSQRYKDAKQZIU-OWCLPIDISA-N 1 3 322.453 0.464 20 0 DCADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637471598 546333035 /nfs/dbraw/zinc/33/30/35/546333035.db2.gz WGSQRYKDAKQZIU-OWCLPIDISA-N 1 3 322.453 0.464 20 0 DCADHO COc1ccc(NC(=O)CC[NH2+]C2(CO)CCNCC2)cc1 ZINC000662283799 546375888 /nfs/dbraw/zinc/37/58/88/546375888.db2.gz KPOPFOWJLKFKHG-UHFFFAOYSA-N 1 3 307.394 0.728 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@](C)(O)C1CC1 ZINC000665757348 546393397 /nfs/dbraw/zinc/39/33/97/546393397.db2.gz GIULADVUAJVJQD-BBRMVZONSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@](C)(O)C1CC1 ZINC000665757348 546393400 /nfs/dbraw/zinc/39/34/00/546393400.db2.gz GIULADVUAJVJQD-BBRMVZONSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000665761177 546395275 /nfs/dbraw/zinc/39/52/75/546395275.db2.gz ZROWQKBHOKZBIU-GOEBONIOSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@](C)(O)C1 ZINC000665761177 546395278 /nfs/dbraw/zinc/39/52/78/546395278.db2.gz ZROWQKBHOKZBIU-GOEBONIOSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](F)(CO)C1 ZINC000665762357 546396617 /nfs/dbraw/zinc/39/66/17/546396617.db2.gz BKCPYFRJDYCVHS-ZFWWWQNUSA-N 1 3 318.437 0.374 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](F)(CO)C1 ZINC000665762357 546396619 /nfs/dbraw/zinc/39/66/19/546396619.db2.gz BKCPYFRJDYCVHS-ZFWWWQNUSA-N 1 3 318.437 0.374 20 0 DCADHO C[C@@H](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)[NH+](C)C ZINC000666979073 546539583 /nfs/dbraw/zinc/53/95/83/546539583.db2.gz LKYPXAGCRFJTFA-ZFWWWQNUSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667156066 546563413 /nfs/dbraw/zinc/56/34/13/546563413.db2.gz OIGOQFPYXIOOHG-YPMHNXCESA-N 1 3 324.429 0.679 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000668616956 546802559 /nfs/dbraw/zinc/80/25/59/546802559.db2.gz IDRVDJNWFWNAFE-HNNXBMFYSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000668616956 546802562 /nfs/dbraw/zinc/80/25/62/546802562.db2.gz IDRVDJNWFWNAFE-HNNXBMFYSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000668616956 546802567 /nfs/dbraw/zinc/80/25/67/546802567.db2.gz IDRVDJNWFWNAFE-HNNXBMFYSA-N 1 3 308.470 0.708 20 0 DCADHO CC1CC[NH+](CCCNC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000668806367 546850862 /nfs/dbraw/zinc/85/08/62/546850862.db2.gz PHATVUPEJNSWLX-OAHLLOKOSA-N 1 3 311.474 0.393 20 0 DCADHO C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000669418846 546968885 /nfs/dbraw/zinc/96/88/85/546968885.db2.gz UPOXIMINCMZERO-ILXRZTDVSA-N 1 3 312.458 0.864 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000669530069 546985327 /nfs/dbraw/zinc/98/53/27/546985327.db2.gz PMKNTXJAUOEVQL-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000669529290 546986055 /nfs/dbraw/zinc/98/60/55/546986055.db2.gz LCLLREAUFGYJER-GDBMZVCRSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCO1 ZINC000669570904 546992903 /nfs/dbraw/zinc/99/29/03/546992903.db2.gz LIUADDLVPMLHGL-DOTOQJQBSA-N 1 3 324.469 0.882 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672010905 547312125 /nfs/dbraw/zinc/31/21/25/547312125.db2.gz YYSIXLLZMJJDTJ-NFAWXSAZSA-N 1 3 324.469 0.241 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672306341 547345885 /nfs/dbraw/zinc/34/58/85/547345885.db2.gz CDWDFLQTPQMMMC-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@@H+]1C ZINC000672306578 547346114 /nfs/dbraw/zinc/34/61/14/547346114.db2.gz OXLKHUVEXXBAIU-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@H+]1C ZINC000672306578 547346118 /nfs/dbraw/zinc/34/61/18/547346118.db2.gz OXLKHUVEXXBAIU-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000673670699 547513571 /nfs/dbraw/zinc/51/35/71/547513571.db2.gz NJGWXCQWIMGZSK-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000675120639 547663516 /nfs/dbraw/zinc/66/35/16/547663516.db2.gz KTRDILGHEXAHFY-CJNGLKHVSA-N 1 3 324.469 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000675120639 547663518 /nfs/dbraw/zinc/66/35/18/547663518.db2.gz KTRDILGHEXAHFY-CJNGLKHVSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@@H](C[C@@H]1CCOC1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000675425680 547680312 /nfs/dbraw/zinc/68/03/12/547680312.db2.gz BUEKDIXXKFSOQB-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO CCS(=O)(=O)C[C@H](C)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678770899 548003416 /nfs/dbraw/zinc/00/34/16/548003416.db2.gz JEGUDSLMENUUJR-UONOGXRCSA-N 1 3 317.499 0.568 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1=O ZINC000679064614 548024012 /nfs/dbraw/zinc/02/40/12/548024012.db2.gz KICPGYACWZNMHU-FHIRATQRSA-N 1 3 320.437 0.923 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000679064614 548024014 /nfs/dbraw/zinc/02/40/14/548024014.db2.gz KICPGYACWZNMHU-FHIRATQRSA-N 1 3 320.437 0.923 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000679064614 548024017 /nfs/dbraw/zinc/02/40/17/548024017.db2.gz KICPGYACWZNMHU-FHIRATQRSA-N 1 3 320.437 0.923 20 0 DCADHO CN(CCCO)C1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684200304 548582276 /nfs/dbraw/zinc/58/22/76/548582276.db2.gz QXBPHWVLIKMMAD-CQSZACIVSA-N 1 3 307.442 0.703 20 0 DCADHO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN(C)C1CCC1 ZINC001666922120 1174647500 /nfs/dbraw/zinc/64/75/00/1174647500.db2.gz YYDIOTLHXGAGAI-CYBMUJFWSA-N 1 3 308.430 0.199 20 0 DCADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000892090612 658177359 /nfs/dbraw/zinc/17/73/59/658177359.db2.gz WTVSUAPLBVOQLX-HUUCEWRRSA-N 1 3 323.485 0.678 20 0 DCADHO CN1CCN(C2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000892090609 658177733 /nfs/dbraw/zinc/17/77/33/658177733.db2.gz WTVSUAPLBVOQLX-CABCVRRESA-N 1 3 323.485 0.678 20 0 DCADHO COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978144105 660487740 /nfs/dbraw/zinc/48/77/40/660487740.db2.gz LCRPPZDERGKDAI-LVQVYYBASA-N 1 3 309.454 0.800 20 0 DCADHO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978144105 660487742 /nfs/dbraw/zinc/48/77/42/660487742.db2.gz LCRPPZDERGKDAI-LVQVYYBASA-N 1 3 309.454 0.800 20 0 DCADHO CO[C@H](C)CN1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176262 661094132 /nfs/dbraw/zinc/09/41/32/661094132.db2.gz RRVGJCGAIIFLMM-ZBFHGGJFSA-N 1 3 309.454 0.897 20 0 DCADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037201 661093228 /nfs/dbraw/zinc/09/32/28/661093228.db2.gz RBAYEHVOQGCCHK-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@H]1CCC[N@H+]1CC1CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037201 661093230 /nfs/dbraw/zinc/09/32/30/661093230.db2.gz RBAYEHVOQGCCHK-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1)[NH+](C)C ZINC001032609698 665419239 /nfs/dbraw/zinc/41/92/39/665419239.db2.gz GPGVCQPLKDKRBD-YHUYYLMFSA-N 1 3 309.454 0.894 20 0 DCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCN(C2CC2)C1 ZINC000891558821 657481327 /nfs/dbraw/zinc/48/13/27/657481327.db2.gz AOCYECUYWBEFCG-HIFRSBDPSA-N 1 3 322.453 0.681 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000891575548 657493002 /nfs/dbraw/zinc/49/30/02/657493002.db2.gz HHCYCUJHMKYBFX-KGLIPLIRSA-N 1 3 312.458 0.785 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000891580399 657498670 /nfs/dbraw/zinc/49/86/70/657498670.db2.gz XLBPTYGZPLZSJI-HUUCEWRRSA-N 1 3 311.474 0.583 20 0 DCADHO C[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000891600541 657514757 /nfs/dbraw/zinc/51/47/57/657514757.db2.gz CHMYRPLABWTBCV-CABCVRRESA-N 1 3 311.474 0.393 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001023125428 657537813 /nfs/dbraw/zinc/53/78/13/657537813.db2.gz QAWZDUQMMSFKQZ-KPWCQOOUSA-N 1 3 320.441 0.425 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001023125428 657537817 /nfs/dbraw/zinc/53/78/17/657537817.db2.gz QAWZDUQMMSFKQZ-KPWCQOOUSA-N 1 3 320.441 0.425 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CN(C[C@H](C)O)C1 ZINC000970714542 657818823 /nfs/dbraw/zinc/81/88/23/657818823.db2.gz RCQZNGUIVZHZJN-UONOGXRCSA-N 1 3 323.481 0.926 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC000969563314 657983563 /nfs/dbraw/zinc/98/35/63/657983563.db2.gz BVTRMXPLJKREMP-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968682 658103968 /nfs/dbraw/zinc/10/39/68/658103968.db2.gz GSLOKFLFAMBOEM-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968682 658103971 /nfs/dbraw/zinc/10/39/71/658103971.db2.gz GSLOKFLFAMBOEM-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892019652 658109879 /nfs/dbraw/zinc/10/98/79/658109879.db2.gz QVNIDWKXPJJUCS-HNNXBMFYSA-N 1 3 311.474 0.391 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCOC3)C2)C1 ZINC001020589117 658161325 /nfs/dbraw/zinc/16/13/25/658161325.db2.gz XJQGMLUTYIUQIZ-FZKCQIBNSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020589722 658169058 /nfs/dbraw/zinc/16/90/58/658169058.db2.gz AIQWRVMDOOCVSH-BPLDGKMQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001020589722 658169060 /nfs/dbraw/zinc/16/90/60/658169060.db2.gz AIQWRVMDOOCVSH-BPLDGKMQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001020589897 658169138 /nfs/dbraw/zinc/16/91/38/658169138.db2.gz HHPGFLLMTQLTCH-QEJZJMRPSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001020589897 658169142 /nfs/dbraw/zinc/16/91/42/658169142.db2.gz HHPGFLLMTQLTCH-QEJZJMRPSA-N 1 3 317.437 0.864 20 0 DCADHO Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020592050 658173312 /nfs/dbraw/zinc/17/33/12/658173312.db2.gz ZEJTZMZKZICZJK-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC000969845173 658202622 /nfs/dbraw/zinc/20/26/22/658202622.db2.gz UVPGTIHFKYQBKL-HZPDHXFCSA-N 1 3 321.469 0.739 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020633019 658249660 /nfs/dbraw/zinc/24/96/60/658249660.db2.gz DTFXKXQYKIXPDO-OBJOEFQTSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020633019 658249666 /nfs/dbraw/zinc/24/96/66/658249666.db2.gz DTFXKXQYKIXPDO-OBJOEFQTSA-N 1 3 319.409 0.010 20 0 DCADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H]1CNCCO1 ZINC000892181056 658272116 /nfs/dbraw/zinc/27/21/16/658272116.db2.gz QPWUXEUOIWBFTF-AWEZNQCLSA-N 1 3 304.394 0.120 20 0 DCADHO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000089149704 658356876 /nfs/dbraw/zinc/35/68/76/658356876.db2.gz ODRFQFZMVVDKCX-TZMCWYRMSA-N 1 3 303.472 0.908 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020676263 658367575 /nfs/dbraw/zinc/36/75/75/658367575.db2.gz YPSRNOSOOBAKLO-KBUPBQIOSA-N 1 3 322.453 0.375 20 0 DCADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCC(N)=O ZINC000939507381 665589419 /nfs/dbraw/zinc/58/94/19/665589419.db2.gz SJTCKLLCDKPWBF-IUODEOHRSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC000999188533 665596029 /nfs/dbraw/zinc/59/60/29/665596029.db2.gz BEOMWOOBUORRAU-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC000999188533 665596030 /nfs/dbraw/zinc/59/60/30/665596030.db2.gz BEOMWOOBUORRAU-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001020981929 658649774 /nfs/dbraw/zinc/64/97/74/658649774.db2.gz SUQOWEQEIOTDPA-JOCQHMNTSA-N 1 3 319.409 0.120 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@]23CCOC3)C1 ZINC001020981807 658651172 /nfs/dbraw/zinc/65/11/72/658651172.db2.gz NQZUCXXUDWSHDD-WBOJAVRRSA-N 1 3 318.421 0.924 20 0 DCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cncn1C ZINC000939543000 665600670 /nfs/dbraw/zinc/60/06/70/665600670.db2.gz AZVXWXXGFUOWFL-UKRRQHHQSA-N 1 3 317.437 0.452 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CC2CC2)C1 ZINC000970192199 658720462 /nfs/dbraw/zinc/72/04/62/658720462.db2.gz YJBBSQDCUMLQEJ-KKRIXCKUSA-N 1 3 319.449 0.696 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001021049507 658727877 /nfs/dbraw/zinc/72/78/77/658727877.db2.gz OOKNQQTYZJZBHI-AAVRWANBSA-N 1 3 303.410 0.726 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001021049507 658727880 /nfs/dbraw/zinc/72/78/80/658727880.db2.gz OOKNQQTYZJZBHI-AAVRWANBSA-N 1 3 303.410 0.726 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001021093796 658753371 /nfs/dbraw/zinc/75/33/71/658753371.db2.gz ILCKFIJRHACMJD-ZQDZILKHSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCn3cccn3)C2)CC[N@@H+]1C ZINC000971560289 658802804 /nfs/dbraw/zinc/80/28/04/658802804.db2.gz DKVCIKZGKLMDBG-BZUAXINKSA-N 1 3 319.453 0.756 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCn3cccn3)C2)CC[N@H+]1C ZINC000971560289 658802815 /nfs/dbraw/zinc/80/28/15/658802815.db2.gz DKVCIKZGKLMDBG-BZUAXINKSA-N 1 3 319.453 0.756 20 0 DCADHO [NH3+][C@@H]1CCCCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000891513859 658899499 /nfs/dbraw/zinc/89/94/99/658899499.db2.gz IFYUEFONURDBIQ-QLFBSQMISA-N 1 3 310.442 0.763 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892330739 658901877 /nfs/dbraw/zinc/90/18/77/658901877.db2.gz MFUYBZZURCNLSZ-QLFBSQMISA-N 1 3 310.442 0.321 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892330739 658901881 /nfs/dbraw/zinc/90/18/81/658901881.db2.gz MFUYBZZURCNLSZ-QLFBSQMISA-N 1 3 310.442 0.321 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000924465127 658923163 /nfs/dbraw/zinc/92/31/63/658923163.db2.gz RGUONPWTSYTRLN-ZIAGYGMSSA-N 1 3 324.425 0.112 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999347687 665633544 /nfs/dbraw/zinc/63/35/44/665633544.db2.gz JZWOKKFZLGQLSB-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999347687 665633545 /nfs/dbraw/zinc/63/35/45/665633545.db2.gz JZWOKKFZLGQLSB-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC000999373768 665634861 /nfs/dbraw/zinc/63/48/61/665634861.db2.gz RCVGXGLPTAKTTN-HZPDHXFCSA-N 1 3 319.453 0.841 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC000999373763 665634915 /nfs/dbraw/zinc/63/49/15/665634915.db2.gz RCVGXGLPTAKTTN-CVEARBPZSA-N 1 3 319.453 0.841 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)C1CCC1 ZINC000999363406 665636911 /nfs/dbraw/zinc/63/69/11/665636911.db2.gz HGWOLHKYWIQJMN-AWEZNQCLSA-N 1 3 320.441 0.343 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027215691 659086211 /nfs/dbraw/zinc/08/62/11/659086211.db2.gz LLETZXNLNQNLLL-KGLIPLIRSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001027215691 659086217 /nfs/dbraw/zinc/08/62/17/659086217.db2.gz LLETZXNLNQNLLL-KGLIPLIRSA-N 1 3 306.410 0.873 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001025159734 659096108 /nfs/dbraw/zinc/09/61/08/659096108.db2.gz KLXOCLUZYKRMLD-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001025159734 659096114 /nfs/dbraw/zinc/09/61/14/659096114.db2.gz KLXOCLUZYKRMLD-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)C1 ZINC000973104817 659104406 /nfs/dbraw/zinc/10/44/06/659104406.db2.gz RAABXSWZSOFPMW-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)C1 ZINC000973104817 659104407 /nfs/dbraw/zinc/10/44/07/659104407.db2.gz RAABXSWZSOFPMW-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925536829 659104638 /nfs/dbraw/zinc/10/46/38/659104638.db2.gz HGYRQZBCEMBIME-VNQPRFMTSA-N 1 3 308.470 0.563 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC000999497498 665650382 /nfs/dbraw/zinc/65/03/82/665650382.db2.gz QNILIOZLPPSLKD-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CS(=O)(=O)CCN1CCC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925566751 659258417 /nfs/dbraw/zinc/25/84/17/659258417.db2.gz LISAJPWVZMNCNE-ZIAGYGMSSA-N 1 3 315.483 0.355 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892688273 659285653 /nfs/dbraw/zinc/28/56/53/659285653.db2.gz VBNDWUPPZCPLMN-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)CCO1 ZINC000892789009 659457385 /nfs/dbraw/zinc/45/73/85/659457385.db2.gz KDBYFLIXGOKBSC-HUUCEWRRSA-N 1 3 304.394 0.070 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCO1 ZINC000892788769 659457525 /nfs/dbraw/zinc/45/75/25/659457525.db2.gz IGSRFJQPVXRMGF-RCBQFDQVSA-N 1 3 318.421 0.459 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000892789622 659457874 /nfs/dbraw/zinc/45/78/74/659457874.db2.gz QXQJYVPUEHECPK-OWCLPIDISA-N 1 3 300.406 0.562 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892817884 659470728 /nfs/dbraw/zinc/47/07/28/659470728.db2.gz HFHHGDSRXQOPAO-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892817884 659470729 /nfs/dbraw/zinc/47/07/29/659470729.db2.gz HFHHGDSRXQOPAO-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)ncn1 ZINC001026734841 659492242 /nfs/dbraw/zinc/49/22/42/659492242.db2.gz UTYZVJMQPUWTMB-GOEBONIOSA-N 1 3 317.437 0.817 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]21 ZINC001025809045 659567924 /nfs/dbraw/zinc/56/79/24/659567924.db2.gz RJEXBMPGCBQAMM-OWYFMNJBSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)COC)C[C@H]21 ZINC001025809045 659567927 /nfs/dbraw/zinc/56/79/27/659567927.db2.gz RJEXBMPGCBQAMM-OWYFMNJBSA-N 1 3 309.454 0.942 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001026884954 659623728 /nfs/dbraw/zinc/62/37/28/659623728.db2.gz DQDMQMQVBFDZJQ-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001026887992 659627601 /nfs/dbraw/zinc/62/76/01/659627601.db2.gz YZRMJGZFIVMUQP-IUODEOHRSA-N 1 3 320.441 0.093 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1)C1CC1 ZINC001026887882 659627982 /nfs/dbraw/zinc/62/79/82/659627982.db2.gz WZSCELHUYIZSHG-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1)[NH+](C)C ZINC001026900870 659630137 /nfs/dbraw/zinc/63/01/37/659630137.db2.gz FHQQHGVQJRCODQ-HOCLYGCPSA-N 1 3 321.469 0.944 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999833538 665695960 /nfs/dbraw/zinc/69/59/60/665695960.db2.gz LUYKVNUHDQOTGA-UHFFFAOYSA-N 1 3 305.426 0.595 20 0 DCADHO CN1CCC(O)(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893042959 659702191 /nfs/dbraw/zinc/70/21/91/659702191.db2.gz XKIWPTRPOWXHDI-OLZOCXBDSA-N 1 3 302.390 0.666 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001026043352 659759208 /nfs/dbraw/zinc/75/92/08/659759208.db2.gz LTCDPPJTAQBQJG-NPCUJANDSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001026043352 659759209 /nfs/dbraw/zinc/75/92/09/659759209.db2.gz LTCDPPJTAQBQJG-NPCUJANDSA-N 1 3 307.438 0.554 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001026089143 659775281 /nfs/dbraw/zinc/77/52/81/659775281.db2.gz ISPICHXNBBAMKP-LJIZCISZSA-N 1 3 309.454 0.677 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001026089143 659775285 /nfs/dbraw/zinc/77/52/85/659775285.db2.gz ISPICHXNBBAMKP-LJIZCISZSA-N 1 3 309.454 0.677 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091588 659798356 /nfs/dbraw/zinc/79/83/56/659798356.db2.gz QBAZFVPWYPLOCC-GFCCVEGCSA-N 1 3 302.382 0.324 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999976201 665713562 /nfs/dbraw/zinc/71/35/62/665713562.db2.gz WHYPTHFAEJFXPA-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999976201 665713564 /nfs/dbraw/zinc/71/35/64/665713564.db2.gz WHYPTHFAEJFXPA-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999976202 665713606 /nfs/dbraw/zinc/71/36/06/665713606.db2.gz WHYPTHFAEJFXPA-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999976202 665713608 /nfs/dbraw/zinc/71/36/08/665713608.db2.gz WHYPTHFAEJFXPA-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1)C1CC1 ZINC000982296761 661343517 /nfs/dbraw/zinc/34/35/17/661343517.db2.gz YOZATNXAEDAJAA-NXHRZFHOSA-N 1 3 323.481 0.879 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCCO)C[C@]2(C)C1)C1CC1 ZINC000982296761 661343519 /nfs/dbraw/zinc/34/35/19/661343519.db2.gz YOZATNXAEDAJAA-NXHRZFHOSA-N 1 3 323.481 0.879 20 0 DCADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001028316309 661455832 /nfs/dbraw/zinc/45/58/32/661455832.db2.gz NRYATLMJKURKKR-HOTGVXAUSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001028316309 661455833 /nfs/dbraw/zinc/45/58/33/661455833.db2.gz NRYATLMJKURKKR-HOTGVXAUSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](CCO)C[C@]3(C)C2)C1 ZINC000982557234 661566655 /nfs/dbraw/zinc/56/66/55/661566655.db2.gz OENWGYSUQWZXRO-BHYGNILZSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](CCO)C[C@]3(C)C2)C1 ZINC000982557234 661566656 /nfs/dbraw/zinc/56/66/56/661566656.db2.gz OENWGYSUQWZXRO-BHYGNILZSA-N 1 3 309.454 0.491 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001000219940 665787282 /nfs/dbraw/zinc/78/72/82/665787282.db2.gz QNILIOZLPPSLKD-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO c1cn(-c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cn2)cn1 ZINC000262135397 662104020 /nfs/dbraw/zinc/10/40/20/662104020.db2.gz ONNNVRLRKRONPO-MRXNPFEDSA-N 1 3 312.421 0.747 20 0 DCADHO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cn(C)c(=O)n(C)c1=O ZINC000895376794 662177976 /nfs/dbraw/zinc/17/79/76/662177976.db2.gz JSYVXKVQKAAMKI-DZGCQCFKSA-N 1 3 322.453 0.636 20 0 DCADHO C[C@H](CC[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)N(C)C ZINC000895428469 662183791 /nfs/dbraw/zinc/18/37/91/662183791.db2.gz GXROFEBALYXTPC-OLZOCXBDSA-N 1 3 305.488 0.976 20 0 DCADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000896043114 662238309 /nfs/dbraw/zinc/23/83/09/662238309.db2.gz MFUYBZZURCNLSZ-RRFJBIMHSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000896043114 662238310 /nfs/dbraw/zinc/23/83/10/662238310.db2.gz MFUYBZZURCNLSZ-RRFJBIMHSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC000984803785 662316577 /nfs/dbraw/zinc/31/65/77/662316577.db2.gz JOOGXCPGKHEQAI-AJNGGQMLSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984810871 662317506 /nfs/dbraw/zinc/31/75/06/662317506.db2.gz YUQJZSKVAAAAJB-DARAHFNDSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984810871 662317508 /nfs/dbraw/zinc/31/75/08/662317508.db2.gz YUQJZSKVAAAAJB-DARAHFNDSA-N 1 3 319.453 0.602 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000985036818 662359091 /nfs/dbraw/zinc/35/90/91/662359091.db2.gz ADWRSNNBQALKES-CTYIDZIISA-N 1 3 317.437 0.500 20 0 DCADHO Cc1nnsc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000985120855 662370277 /nfs/dbraw/zinc/37/02/77/662370277.db2.gz ZGKNQTAJVCEDLU-AVGNSLFASA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000985120855 662370278 /nfs/dbraw/zinc/37/02/78/662370278.db2.gz ZGKNQTAJVCEDLU-AVGNSLFASA-N 1 3 323.466 0.783 20 0 DCADHO COC(=O)c1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262451122 662392989 /nfs/dbraw/zinc/39/29/89/662392989.db2.gz HSRGXPFTSRTQOV-INIZCTEOSA-N 1 3 303.406 0.953 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897262930 662414079 /nfs/dbraw/zinc/41/40/79/662414079.db2.gz DAWAWLBBNLAUDI-XHSDSOJGSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@H]1CN(C(=O)[C@H]2CCCN2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000897262928 662414133 /nfs/dbraw/zinc/41/41/33/662414133.db2.gz DAWAWLBBNLAUDI-HRCADAONSA-N 1 3 308.470 0.565 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468692 662463439 /nfs/dbraw/zinc/46/34/39/662463439.db2.gz ZRVIOZADPDZIBA-HNNXBMFYSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468692 662463440 /nfs/dbraw/zinc/46/34/40/662463440.db2.gz ZRVIOZADPDZIBA-HNNXBMFYSA-N 1 3 324.469 0.657 20 0 DCADHO CN(C)C1(C(=O)N2CCC([N@H+](C)[C@@H]3CCNC3=O)CC2)CCC1 ZINC000985476040 662464882 /nfs/dbraw/zinc/46/48/82/662464882.db2.gz XFUPJCCNOUBRJM-CQSZACIVSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)[C@@H]3CCNC3=O)CC2)CCC1 ZINC000985476040 662464883 /nfs/dbraw/zinc/46/48/83/662464883.db2.gz XFUPJCCNOUBRJM-CQSZACIVSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000985494923 662468284 /nfs/dbraw/zinc/46/82/84/662468284.db2.gz HZSYFXIXSURSEO-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000985494923 662468285 /nfs/dbraw/zinc/46/82/85/662468285.db2.gz HZSYFXIXSURSEO-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985613801 662492692 /nfs/dbraw/zinc/49/26/92/662492692.db2.gz DIWHSIFOORHGRY-LBPRGKRZSA-N 1 3 310.442 0.125 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2COc3ccccc3O2)C1 ZINC000320735749 662499637 /nfs/dbraw/zinc/49/96/37/662499637.db2.gz OJQRLXWOAGJHEM-KGLIPLIRSA-N 1 3 319.405 0.613 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001000546337 665879382 /nfs/dbraw/zinc/87/93/82/665879382.db2.gz ONYRAQJHLZCDOK-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985786547 662512533 /nfs/dbraw/zinc/51/25/33/662512533.db2.gz DAOHLMVJCCPVBC-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985786547 662512534 /nfs/dbraw/zinc/51/25/34/662512534.db2.gz DAOHLMVJCCPVBC-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354597 662583380 /nfs/dbraw/zinc/58/33/80/662583380.db2.gz KMNFGTHYEWICAA-CJNGLKHVSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987564689 662688036 /nfs/dbraw/zinc/68/80/36/662688036.db2.gz BRWCZJUEXCZCBO-DOMZBBRYSA-N 1 3 318.421 0.426 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000938040329 662856601 /nfs/dbraw/zinc/85/66/01/662856601.db2.gz XAOJBYUWMGSBKZ-BARDWOONSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000938040329 662856603 /nfs/dbraw/zinc/85/66/03/662856603.db2.gz XAOJBYUWMGSBKZ-BARDWOONSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988957300 662873490 /nfs/dbraw/zinc/87/34/90/662873490.db2.gz FCUHPAXTYXMSKJ-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000690438 665910507 /nfs/dbraw/zinc/91/05/07/665910507.db2.gz UKLLPYSZNLXBDG-UONOGXRCSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000690438 665910512 /nfs/dbraw/zinc/91/05/12/665910512.db2.gz UKLLPYSZNLXBDG-UONOGXRCSA-N 1 3 320.441 0.536 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729608697 662905215 /nfs/dbraw/zinc/90/52/15/662905215.db2.gz QSVWEXISNQNLOI-JKSUJKDBSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490840 662953453 /nfs/dbraw/zinc/95/34/53/662953453.db2.gz BEWWNBLVZJGFFR-SWLSCSKDSA-N 1 3 306.410 0.958 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989801240 662978103 /nfs/dbraw/zinc/97/81/03/662978103.db2.gz ZSFBWVWNYNFTAL-CZUORRHYSA-N 1 3 319.453 0.903 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000990277336 663027984 /nfs/dbraw/zinc/02/79/84/663027984.db2.gz MNUKJHOAQOXARG-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[NH+](CC)CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000040861707 663050990 /nfs/dbraw/zinc/05/09/90/663050990.db2.gz MJTLHDGESILUEY-UHFFFAOYSA-N 1 3 318.487 0.190 20 0 DCADHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)C12CCC2 ZINC000898836462 663109656 /nfs/dbraw/zinc/10/96/56/663109656.db2.gz UTEHXEZEWACSCK-RRFJBIMHSA-N 1 3 306.454 0.365 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000900518915 663252233 /nfs/dbraw/zinc/25/22/33/663252233.db2.gz GFWGJHFKCLCWBC-AWEZNQCLSA-N 1 3 305.426 0.755 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)c2ccnn2CC[NH+](C)C)CN1C1CC1 ZINC000900994482 663302861 /nfs/dbraw/zinc/30/28/61/663302861.db2.gz HPVASIYNZFCNAG-QWHCGFSZSA-N 1 3 305.426 0.800 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000914730 665949340 /nfs/dbraw/zinc/94/93/40/665949340.db2.gz AUOOMCQIBANQGG-LSDHHAIUSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000914730 665949343 /nfs/dbraw/zinc/94/93/43/665949343.db2.gz AUOOMCQIBANQGG-LSDHHAIUSA-N 1 3 305.426 0.452 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCOCC(F)(F)F)C2 ZINC000903493145 663458454 /nfs/dbraw/zinc/45/84/54/663458454.db2.gz VLKQLCCQJWHOCO-UMNHJUIQSA-N 1 3 310.316 0.778 20 0 DCADHO O=S(=O)(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CNC1 ZINC000903572153 663467246 /nfs/dbraw/zinc/46/72/46/663467246.db2.gz XEXBRPXVCXERKD-ZFWWWQNUSA-N 1 3 323.418 0.134 20 0 DCADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@H]1[NH3+] ZINC000903737738 663478257 /nfs/dbraw/zinc/47/82/57/663478257.db2.gz DMLHKEBLVUDALF-ZIAGYGMSSA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)[C@H]1CN(C)CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903903555 663494072 /nfs/dbraw/zinc/49/40/72/663494072.db2.gz VOUKESBUPWITNB-GOEBONIOSA-N 1 3 306.458 0.975 20 0 DCADHO FC1(F)CCNC[C@@H]1NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919573 663495438 /nfs/dbraw/zinc/49/54/38/663495438.db2.gz ODUKOWVIHILKEW-PWSUYJOCSA-N 1 3 300.357 0.289 20 0 DCADHO FC1(F)CCNC[C@H]1NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919574 663495551 /nfs/dbraw/zinc/49/55/51/663495551.db2.gz ODUKOWVIHILKEW-ZYHUDNBSSA-N 1 3 300.357 0.289 20 0 DCADHO OC[C@@H](Cc1ccccc1)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903926959 663495903 /nfs/dbraw/zinc/49/59/03/663495903.db2.gz NZTDPBNAINJOSU-HZPDHXFCSA-N 1 3 315.421 0.896 20 0 DCADHO Cc1c(C[C@H](CN)C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cnn1C ZINC000903929474 663496406 /nfs/dbraw/zinc/49/64/06/663496406.db2.gz GIFLSMALOGZHQV-ZBFHGGJFSA-N 1 3 321.469 0.835 20 0 DCADHO Cc1c(C[C@H](CN)C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cnn1C ZINC000903929474 663496407 /nfs/dbraw/zinc/49/64/07/663496407.db2.gz GIFLSMALOGZHQV-ZBFHGGJFSA-N 1 3 321.469 0.835 20 0 DCADHO C[C@]1(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)CCC[NH2+]C1 ZINC000904305600 663507814 /nfs/dbraw/zinc/50/78/14/663507814.db2.gz QEZIKSDFBRYKBL-WBVHZDCISA-N 1 3 309.454 0.947 20 0 DCADHO [NH3+]Cc1ccc(CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000904331203 663508727 /nfs/dbraw/zinc/50/87/27/663508727.db2.gz FVYFRMFKJQRABR-INIZCTEOSA-N 1 3 302.422 0.542 20 0 DCADHO CC1CCN(CCC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905889567 663587013 /nfs/dbraw/zinc/58/70/13/663587013.db2.gz LYZUPTVXJSGGFH-JKSUJKDBSA-N 1 3 300.443 0.600 20 0 DCADHO COC[C@]1(CN(C)C)COCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000906124398 663601373 /nfs/dbraw/zinc/60/13/73/663601373.db2.gz ULQZBHXXBVANBN-MRXNPFEDSA-N 1 3 315.458 0.570 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)NC[C@H]1CCCCN1CCO ZINC000908540166 663760467 /nfs/dbraw/zinc/76/04/67/663760467.db2.gz GNFSWWWEASFSTO-CQSZACIVSA-N 1 3 323.441 0.021 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CCCCC1 ZINC000910945038 663960787 /nfs/dbraw/zinc/96/07/87/663960787.db2.gz AIXCLHJHRGKMHB-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)C(C)C ZINC000910945708 663961001 /nfs/dbraw/zinc/96/10/01/663961001.db2.gz DPPOFBQJZQCMQW-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911029307 663973935 /nfs/dbraw/zinc/97/39/35/663973935.db2.gz MHQYIBDXTSZYKV-ARILJUKYSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000911090765 663980305 /nfs/dbraw/zinc/98/03/05/663980305.db2.gz MDHROMDLUQOWEF-IHRRRGAJSA-N 1 3 310.442 0.077 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911160894 663995359 /nfs/dbraw/zinc/99/53/59/663995359.db2.gz GGQBVVXWJSDNDL-CABCVRRESA-N 1 3 324.469 0.278 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911161864 663995682 /nfs/dbraw/zinc/99/56/82/663995682.db2.gz OAGFNJTVBPAHBI-CYBMUJFWSA-N 1 3 310.442 0.030 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911205288 664004675 /nfs/dbraw/zinc/00/46/75/664004675.db2.gz BHXYMJDSIMZNRN-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911205241 664004848 /nfs/dbraw/zinc/00/48/48/664004848.db2.gz AZTKMAGSSUSXMF-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000911529297 664068573 /nfs/dbraw/zinc/06/85/73/664068573.db2.gz CJDPWZUFXDNKDL-DYVFJYSZSA-N 1 3 322.453 0.174 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000911532434 664069971 /nfs/dbraw/zinc/06/99/71/664069971.db2.gz LKOBREKBYQPFDW-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NC[C@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000911715306 664101916 /nfs/dbraw/zinc/10/19/16/664101916.db2.gz XCHXAMLAOMWLPL-KGLIPLIRSA-N 1 3 316.405 0.771 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NC[C@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000911705678 664103948 /nfs/dbraw/zinc/10/39/48/664103948.db2.gz AHPSPBCHEMAELT-SMDDNHRTSA-N 1 3 316.405 0.628 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cccc3c2OCCNC3)CCO1 ZINC000911884473 664119494 /nfs/dbraw/zinc/11/94/94/664119494.db2.gz QIBVPSMBZPHNAM-FZMZJTMJSA-N 1 3 305.378 0.357 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H](C[NH2+]CCO)C2CC2)C1 ZINC001670522162 1157454890 /nfs/dbraw/zinc/45/48/90/1157454890.db2.gz HJQYIGJRXOVYFI-CZUORRHYSA-N 1 3 315.433 0.676 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H](C[NH2+]CCO)C2CC2)C1 ZINC001670522160 1157455072 /nfs/dbraw/zinc/45/50/72/1157455072.db2.gz HJQYIGJRXOVYFI-BBRMVZONSA-N 1 3 315.433 0.676 20 0 DCADHO C[NH+](C)CC(C)(C)CNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913831868 664725788 /nfs/dbraw/zinc/72/57/88/664725788.db2.gz CMVFFFOVTPZGGO-HNNXBMFYSA-N 1 3 317.499 0.980 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000997854503 665354739 /nfs/dbraw/zinc/35/47/39/665354739.db2.gz FWJSTNCSJXHZPT-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000997855070 665354750 /nfs/dbraw/zinc/35/47/50/665354750.db2.gz KCLFCSHFJSGQRY-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000998085932 665397930 /nfs/dbraw/zinc/39/79/30/665397930.db2.gz KCLFCSHFJSGQRY-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261545399 665402661 /nfs/dbraw/zinc/40/26/61/665402661.db2.gz JWCAQVAWCMGRER-CVEARBPZSA-N 1 3 303.406 0.756 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003629481 666337381 /nfs/dbraw/zinc/33/73/81/666337381.db2.gz BFWJDXRZBRETQX-GDBMZVCRSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003629481 666337383 /nfs/dbraw/zinc/33/73/83/666337383.db2.gz BFWJDXRZBRETQX-GDBMZVCRSA-N 1 3 319.453 0.661 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000944105148 666389994 /nfs/dbraw/zinc/38/99/94/666389994.db2.gz ZNLOBVDBKLOGNY-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000944105148 666389995 /nfs/dbraw/zinc/38/99/95/666389995.db2.gz ZNLOBVDBKLOGNY-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](O)CN1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181299 666608846 /nfs/dbraw/zinc/60/88/46/666608846.db2.gz HQMDKHBFBGFYCA-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996381810 666779199 /nfs/dbraw/zinc/77/91/99/666779199.db2.gz ZSBGMPXSQBMYAK-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033659952 666790777 /nfs/dbraw/zinc/79/07/77/666790777.db2.gz FWGNPGJZDDKJTI-JKSUJKDBSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033659952 666790778 /nfs/dbraw/zinc/79/07/78/666790778.db2.gz FWGNPGJZDDKJTI-JKSUJKDBSA-N 1 3 319.453 0.447 20 0 DCADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCCO)C1 ZINC001033832231 666840728 /nfs/dbraw/zinc/84/07/28/666840728.db2.gz FCHRHTOVMHPGDE-JKSUJKDBSA-N 1 3 309.454 0.633 20 0 DCADHO CN(CC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1)C1CCC1 ZINC000996666479 666851377 /nfs/dbraw/zinc/85/13/77/666851377.db2.gz SFTHBUXLRJXVOL-HNNXBMFYSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1)C1CCC1 ZINC000996666481 666851782 /nfs/dbraw/zinc/85/17/82/666851782.db2.gz SFTHBUXLRJXVOL-OAHLLOKOSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CC(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1)C1CCC1 ZINC000996664920 666853445 /nfs/dbraw/zinc/85/34/45/666853445.db2.gz LBOAVKXBTLDYMT-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996677429 666858048 /nfs/dbraw/zinc/85/80/48/666858048.db2.gz RNAGEHSEXKFLTQ-HIFRSBDPSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC000996710204 666867326 /nfs/dbraw/zinc/86/73/26/666867326.db2.gz AEHHFIBHERZVSR-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(N[C@@H]1CCCCN(CCO)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001034331627 666990027 /nfs/dbraw/zinc/99/00/27/666990027.db2.gz UMEJFDONSYDZFN-HZPDHXFCSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997007249 667069458 /nfs/dbraw/zinc/06/94/58/667069458.db2.gz PGKLGBDILUCSEU-INIZCTEOSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000997014777 667075851 /nfs/dbraw/zinc/07/58/51/667075851.db2.gz JXYOPHPNJGLYBU-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)NC(=O)OC(C)(C)C ZINC000863554616 667157291 /nfs/dbraw/zinc/15/72/91/667157291.db2.gz CXDPPQPLHJOXTM-OLZOCXBDSA-N 1 3 301.431 0.946 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+])o1 ZINC000863750645 667175173 /nfs/dbraw/zinc/17/51/73/667175173.db2.gz SMAXILRBZQSCLU-GFCCVEGCSA-N 1 3 324.425 0.284 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001034940235 667200069 /nfs/dbraw/zinc/20/00/69/667200069.db2.gz XQODBTHPHVAUEJ-MRVWCRGKSA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001034940235 667200071 /nfs/dbraw/zinc/20/00/71/667200071.db2.gz XQODBTHPHVAUEJ-MRVWCRGKSA-N 1 3 320.441 0.534 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001035014509 667215674 /nfs/dbraw/zinc/21/56/74/667215674.db2.gz WHRNDCWPWVSKHS-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997300802 667234383 /nfs/dbraw/zinc/23/43/83/667234383.db2.gz XQMHHRMBJQKMNS-CQSZACIVSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997300802 667234385 /nfs/dbraw/zinc/23/43/85/667234385.db2.gz XQMHHRMBJQKMNS-CQSZACIVSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997301683 667234397 /nfs/dbraw/zinc/23/43/97/667234397.db2.gz GSKAGXUTAZRBFE-UHFFFAOYSA-N 1 3 317.437 0.961 20 0 DCADHO Cn1cncc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997307542 667244192 /nfs/dbraw/zinc/24/41/92/667244192.db2.gz UMFGRIAJOLZBPE-UHFFFAOYSA-N 1 3 305.426 0.597 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000997366425 667260693 /nfs/dbraw/zinc/26/06/93/667260693.db2.gz DQEYNJGCRIHNCP-TZMCWYRMSA-N 1 3 310.442 0.315 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000997608258 667347100 /nfs/dbraw/zinc/34/71/00/667347100.db2.gz SUNWUXYMDCQUFW-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997614525 667348571 /nfs/dbraw/zinc/34/85/71/667348571.db2.gz RASPDAQSJWWKLR-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1[NH2+]Cc1nccn1C ZINC001036294726 667434654 /nfs/dbraw/zinc/43/46/54/667434654.db2.gz SUZSYFFQERJOCN-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867564828 667468659 /nfs/dbraw/zinc/46/86/59/667468659.db2.gz NMWHYAFZTRRIQV-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867564828 667468660 /nfs/dbraw/zinc/46/86/60/667468660.db2.gz NMWHYAFZTRRIQV-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(CO)CC1 ZINC000923201962 667475145 /nfs/dbraw/zinc/47/51/45/667475145.db2.gz XLBYZGBFDWQPAD-UONOGXRCSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(CO)CC1 ZINC000923201962 667475155 /nfs/dbraw/zinc/47/51/55/667475155.db2.gz XLBYZGBFDWQPAD-UONOGXRCSA-N 1 3 314.474 0.719 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884202013 667497104 /nfs/dbraw/zinc/49/71/04/667497104.db2.gz OFOUHFAPJVNLAF-AWEZNQCLSA-N 1 3 315.421 0.458 20 0 DCADHO NCC(C[NH3+])NCc1cc2c(cc1Br)OCO2 ZINC000923352017 667514015 /nfs/dbraw/zinc/51/40/15/667514015.db2.gz KZGFEAGNZXMJMB-UHFFFAOYSA-N 1 3 302.172 0.553 20 0 DCADHO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923376174 667520098 /nfs/dbraw/zinc/52/00/98/667520098.db2.gz VAHLYYUBGHCHIA-LSDHHAIUSA-N 1 3 311.430 0.407 20 0 DCADHO CC(C)COC[C@H](O)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923376174 667520101 /nfs/dbraw/zinc/52/01/01/667520101.db2.gz VAHLYYUBGHCHIA-LSDHHAIUSA-N 1 3 311.430 0.407 20 0 DCADHO [NH3+]CC1(O)CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000923381815 667521163 /nfs/dbraw/zinc/52/11/63/667521163.db2.gz PPRQEHHHZURESJ-GFCCVEGCSA-N 1 3 314.813 0.865 20 0 DCADHO [NH3+]CC1(O)CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000923381816 667521289 /nfs/dbraw/zinc/52/12/89/667521289.db2.gz PPRQEHHHZURESJ-LBPRGKRZSA-N 1 3 314.813 0.865 20 0 DCADHO CC(C)CC(=O)N1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923416039 667527651 /nfs/dbraw/zinc/52/76/51/667527651.db2.gz KFEPYKVNPYSBCQ-OAHLLOKOSA-N 1 3 309.454 0.945 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884502458 667557441 /nfs/dbraw/zinc/55/74/41/667557441.db2.gz KNJSZQPVOUDIPW-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N1CCC(C)CC1 ZINC000884502699 667557780 /nfs/dbraw/zinc/55/77/80/667557780.db2.gz QJOYSUGJQHGYCS-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C)CC1 ZINC000884502834 667557799 /nfs/dbraw/zinc/55/77/99/667557799.db2.gz UPMDTMWIKVTPPS-SOUVJXGZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884577573 667569612 /nfs/dbraw/zinc/56/96/12/667569612.db2.gz IFNRFZNNHVPKDP-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000884576946 667569642 /nfs/dbraw/zinc/56/96/42/667569642.db2.gz UKLASMYBOFYTFD-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884700812 667595143 /nfs/dbraw/zinc/59/51/43/667595143.db2.gz WLQFDGUJYMNJNF-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000884775420 667605716 /nfs/dbraw/zinc/60/57/16/667605716.db2.gz DMKKISRCVXWFSZ-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000884776214 667605833 /nfs/dbraw/zinc/60/58/33/667605833.db2.gz PCTKYADVCWVBAX-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000884787453 667607242 /nfs/dbraw/zinc/60/72/42/667607242.db2.gz SHHRFTXAYQNQRR-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884786590 667607336 /nfs/dbraw/zinc/60/73/36/667607336.db2.gz RVTZISMPAJPSEO-IHRRRGAJSA-N 1 3 310.442 0.171 20 0 DCADHO [NH2+]=C(NCC(F)F)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000887348632 667873181 /nfs/dbraw/zinc/87/31/81/667873181.db2.gz RKSLPWRIHNYSGF-CYBMUJFWSA-N 1 3 312.364 0.785 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])NCC(F)F ZINC000887352918 667875690 /nfs/dbraw/zinc/87/56/90/667875690.db2.gz TXXUEDUTMCJFOG-SNVBAGLBSA-N 1 3 305.373 0.308 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC000889755087 667990361 /nfs/dbraw/zinc/99/03/61/667990361.db2.gz DHOSZMOIPOGXQL-CAOSSQGBSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC000889755087 667990362 /nfs/dbraw/zinc/99/03/62/667990362.db2.gz DHOSZMOIPOGXQL-CAOSSQGBSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H](NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000873216169 668065998 /nfs/dbraw/zinc/06/59/98/668065998.db2.gz JHWRCMAAXVQHMT-JSGCOSHPSA-N 1 3 300.410 0.814 20 0 DCADHO C[C@@H](NCc1cccc(-n2cc(CN)nn2)c1)[C@H]1CCC[NH2+]1 ZINC000873243207 668067532 /nfs/dbraw/zinc/06/75/32/668067532.db2.gz JKKMWHSMEHSVMW-MLGOLLRUSA-N 1 3 300.410 0.956 20 0 DCADHO CCS(=O)(=O)C[C@H](C)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292955 668072681 /nfs/dbraw/zinc/07/26/81/668072681.db2.gz WSJKGPFNPGHWJU-STQMWFEESA-N 1 3 304.456 0.558 20 0 DCADHO CCOC(=O)[C@@H]1NCC[C@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294023 668072886 /nfs/dbraw/zinc/07/28/86/668072886.db2.gz PLACGWOIDOTIBM-BFHYXJOUSA-N 1 3 311.426 0.028 20 0 DCADHO C[C@@H]1C[C@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)CC[N@@H+]1C ZINC000924629483 668223312 /nfs/dbraw/zinc/22/33/12/668223312.db2.gz PRQFERAWUAQQGP-MGPQQGTHSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@@H]1C[C@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)CC[N@H+]1C ZINC000924629483 668223316 /nfs/dbraw/zinc/22/33/16/668223316.db2.gz PRQFERAWUAQQGP-MGPQQGTHSA-N 1 3 308.426 0.875 20 0 DCADHO CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000925292158 668290007 /nfs/dbraw/zinc/29/00/07/668290007.db2.gz IVRPAHAXOZXKIA-KBPBESRZSA-N 1 3 308.426 0.877 20 0 DCADHO CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000925292158 668290010 /nfs/dbraw/zinc/29/00/10/668290010.db2.gz IVRPAHAXOZXKIA-KBPBESRZSA-N 1 3 308.426 0.877 20 0 DCADHO CN1CCN(C(=O)CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925493030 668325099 /nfs/dbraw/zinc/32/50/99/668325099.db2.gz VGHSLKULDCOVEP-IRXDYDNUSA-N 1 3 322.497 0.908 20 0 DCADHO CC1(C)C[C@@H](NC[C@@]23COCCN2C(=O)COC3)C[C@@H]([NH3+])C1 ZINC000925727742 668343591 /nfs/dbraw/zinc/34/35/91/668343591.db2.gz RHQUAUHQSJTIAX-WWGRRREGSA-N 1 3 311.426 0.110 20 0 DCADHO O=C(Nc1cnn(-c2ccncc2)c1)N1CCNCC[NH2+]CC1 ZINC000926045419 668368742 /nfs/dbraw/zinc/36/87/42/668368742.db2.gz YPSSBUFIRHGRFK-UHFFFAOYSA-N 1 3 315.381 0.294 20 0 DCADHO CN(C)C1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCC1 ZINC000763049548 668394360 /nfs/dbraw/zinc/39/43/60/668394360.db2.gz PZPXOXZSHFTCTF-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C)C1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCC1 ZINC000763049548 668394363 /nfs/dbraw/zinc/39/43/63/668394363.db2.gz PZPXOXZSHFTCTF-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1cnnn1C)C2 ZINC000926879508 668438174 /nfs/dbraw/zinc/43/81/74/668438174.db2.gz LASPEEVHNBOZPH-QVKMIARZSA-N 1 3 307.442 0.945 20 0 DCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1cnnn1C)C2 ZINC000926879508 668438176 /nfs/dbraw/zinc/43/81/76/668438176.db2.gz LASPEEVHNBOZPH-QVKMIARZSA-N 1 3 307.442 0.945 20 0 DCADHO O[C@@H](CNC1CC[NH+](CCN2CCOCC2)CC1)c1ccco1 ZINC000764769206 668461768 /nfs/dbraw/zinc/46/17/68/668461768.db2.gz PGRVDWDWUPWSCQ-INIZCTEOSA-N 1 3 323.437 0.699 20 0 DCADHO C[NH2+]CCN(C)C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000876792335 668512011 /nfs/dbraw/zinc/51/20/11/668512011.db2.gz QBPYKTOGNGQRKB-UHFFFAOYSA-N 1 3 319.409 0.595 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876973095 668545173 /nfs/dbraw/zinc/54/51/73/668545173.db2.gz AQHIITRJJCADLE-UXLLHSPISA-N 1 3 307.438 0.888 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000876973099 668545410 /nfs/dbraw/zinc/54/54/10/668545410.db2.gz ASKPQBKNDZGCRI-ZZILUAEPSA-N 1 3 307.438 0.768 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000877082162 668559246 /nfs/dbraw/zinc/55/92/46/668559246.db2.gz XSRGPLJLSHLPMH-CYBMUJFWSA-N 1 3 324.425 0.193 20 0 DCADHO Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(N)n1 ZINC000767263147 668566079 /nfs/dbraw/zinc/56/60/79/668566079.db2.gz SJDOFAFOTHRBSV-GFCCVEGCSA-N 1 3 304.398 0.286 20 0 DCADHO Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)nc(N)n1 ZINC000767263147 668566083 /nfs/dbraw/zinc/56/60/83/668566083.db2.gz SJDOFAFOTHRBSV-GFCCVEGCSA-N 1 3 304.398 0.286 20 0 DCADHO CN1CCN(C2CCN(C(=O)C3([NH3+])CCCCC3)CC2)CC1 ZINC000877251664 668584109 /nfs/dbraw/zinc/58/41/09/668584109.db2.gz TUEPUHZEQYLDLX-UHFFFAOYSA-N 1 3 308.470 0.886 20 0 DCADHO CN1CC[NH+](C2CCN(CCCN3CCOC3=O)CC2)CC1 ZINC000879592544 669070034 /nfs/dbraw/zinc/07/00/34/669070034.db2.gz KSTBMGCSAXONHB-UHFFFAOYSA-N 1 3 310.442 0.541 20 0 DCADHO COC(=O)C1=C(C)O[C@H](CN2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931483183 669209815 /nfs/dbraw/zinc/20/98/15/669209815.db2.gz XKZADUSMEDXDNZ-ZDUSSCGKSA-N 1 3 312.410 0.611 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC1 ZINC000933760737 669533550 /nfs/dbraw/zinc/53/35/50/669533550.db2.gz FSSGDWMVBUJWLE-WMZOPIPTSA-N 1 3 322.497 0.990 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC1 ZINC000933760737 669533554 /nfs/dbraw/zinc/53/35/54/669533554.db2.gz FSSGDWMVBUJWLE-WMZOPIPTSA-N 1 3 322.497 0.990 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933849763 669541444 /nfs/dbraw/zinc/54/14/44/669541444.db2.gz YGCIAOCVTOAMMH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933849763 669541448 /nfs/dbraw/zinc/54/14/48/669541448.db2.gz YGCIAOCVTOAMMH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000934897250 669652784 /nfs/dbraw/zinc/65/27/84/669652784.db2.gz ZDXJNGMDGPDDHL-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC000950077530 669929117 /nfs/dbraw/zinc/92/91/17/669929117.db2.gz RKERUUXHBTXWBE-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000950077530 669929121 /nfs/dbraw/zinc/92/91/21/669929121.db2.gz RKERUUXHBTXWBE-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC(N)=O ZINC001691766574 1157949702 /nfs/dbraw/zinc/94/97/02/1157949702.db2.gz BXVBRCZLXSXFHG-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCO)C1)C1CCC1 ZINC001036736835 670167570 /nfs/dbraw/zinc/16/75/70/670167570.db2.gz HMYLGGUSZWODOZ-GDBMZVCRSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCO)C1)C1CCC1 ZINC001036736835 670167574 /nfs/dbraw/zinc/16/75/74/670167574.db2.gz HMYLGGUSZWODOZ-GDBMZVCRSA-N 1 3 309.454 0.776 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCO)C2)CC1 ZINC001036853817 670221772 /nfs/dbraw/zinc/22/17/72/670221772.db2.gz ZPFJOWVTRWULRR-HZPDHXFCSA-N 1 3 309.454 0.633 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)CC1 ZINC001036853817 670221775 /nfs/dbraw/zinc/22/17/75/670221775.db2.gz ZPFJOWVTRWULRR-HZPDHXFCSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc[nH]1 ZINC000806526802 670319560 /nfs/dbraw/zinc/31/95/60/670319560.db2.gz GXSXSSCCDRUOBE-ZDUSSCGKSA-N 1 3 323.441 0.144 20 0 DCADHO C[NH+](C)CCOCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810919142 670501184 /nfs/dbraw/zinc/50/11/84/670501184.db2.gz CBMQBRJPYUFKKO-OAHLLOKOSA-N 1 3 303.422 0.893 20 0 DCADHO Cc1nccn1CCCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854354955 670553385 /nfs/dbraw/zinc/55/33/85/670553385.db2.gz VYPBKHPUQHIOPK-HNNXBMFYSA-N 1 3 305.426 0.478 20 0 DCADHO Cc1nccn1CCCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854354955 670553389 /nfs/dbraw/zinc/55/33/89/670553389.db2.gz VYPBKHPUQHIOPK-HNNXBMFYSA-N 1 3 305.426 0.478 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccn(CC)c1=O ZINC000849023587 670751771 /nfs/dbraw/zinc/75/17/71/670751771.db2.gz JWXBQWUNWVMMJL-AWEZNQCLSA-N 1 3 305.426 0.966 20 0 DCADHO CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849557539 670814641 /nfs/dbraw/zinc/81/46/41/670814641.db2.gz GVQCEBDSEFBSGG-LSDHHAIUSA-N 1 3 307.442 0.475 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC2CC([NH+](C)C)C2)cn1 ZINC000849614067 670827373 /nfs/dbraw/zinc/82/73/73/670827373.db2.gz WOOICULWJLJMCP-SSHXOBKSSA-N 1 3 319.453 0.664 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000851691694 671016343 /nfs/dbraw/zinc/01/63/43/671016343.db2.gz QRUUZLRKQSOKDJ-ROKHWSDSSA-N 1 3 310.442 0.315 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000852063904 671080766 /nfs/dbraw/zinc/08/07/66/671080766.db2.gz UCYQEEUZHALCLC-RRFJBIMHSA-N 1 3 310.442 0.633 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000852063904 671080770 /nfs/dbraw/zinc/08/07/70/671080770.db2.gz UCYQEEUZHALCLC-RRFJBIMHSA-N 1 3 310.442 0.633 20 0 DCADHO CON(C)C(=O)CCNCc1ccnc(OCC[NH+](C)C)c1 ZINC000819195398 671101619 /nfs/dbraw/zinc/10/16/19/671101619.db2.gz BYEWRWXSNWPILH-UHFFFAOYSA-N 1 3 310.398 0.522 20 0 DCADHO O=C1CCCCN1[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852745100 671155425 /nfs/dbraw/zinc/15/54/25/671155425.db2.gz OPLNLCBTDKTTDE-HUUCEWRRSA-N 1 3 307.438 0.984 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NOCC(C)(C)O ZINC000820086543 671164456 /nfs/dbraw/zinc/16/44/56/671164456.db2.gz HQTWJYPPKHGDCS-LBPRGKRZSA-N 1 3 304.435 0.260 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NOCC(C)(C)O ZINC000820086543 671164459 /nfs/dbraw/zinc/16/44/59/671164459.db2.gz HQTWJYPPKHGDCS-LBPRGKRZSA-N 1 3 304.435 0.260 20 0 DCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1[nH]nc2c1CNCC2 ZINC000852864309 671179039 /nfs/dbraw/zinc/17/90/39/671179039.db2.gz RRUMYALHMSZVTQ-GFCCVEGCSA-N 1 3 319.409 0.039 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000827936482 671540115 /nfs/dbraw/zinc/54/01/15/671540115.db2.gz LBYKDLDXTOZPSM-YNEHKIRRSA-N 1 3 319.409 0.080 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000841788188 671955122 /nfs/dbraw/zinc/95/51/22/671955122.db2.gz CUDXROCXJULKJD-FPCVCCKLSA-N 1 3 324.469 0.914 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000841790572 671955565 /nfs/dbraw/zinc/95/55/65/671955565.db2.gz GDEFOQLMGKZOGV-KFWWJZLASA-N 1 3 310.442 0.666 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841789111 671955584 /nfs/dbraw/zinc/95/55/84/671955584.db2.gz MIVUZPLOTUNLLL-BFYDXBDKSA-N 1 3 322.453 0.635 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000841790102 671955609 /nfs/dbraw/zinc/95/56/09/671955609.db2.gz UWKYCRINQKFWRB-UYJHQMFVSA-N 1 3 322.453 0.537 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000842014488 671973938 /nfs/dbraw/zinc/97/39/38/671973938.db2.gz CHNWCRZRKDAQOO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CCCCC1 ZINC000842014275 671974084 /nfs/dbraw/zinc/97/40/84/671974084.db2.gz BOCJJEDGQRWJNE-BBRMVZONSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N1CCCCC1 ZINC000842016034 671974553 /nfs/dbraw/zinc/97/45/53/671974553.db2.gz QTRRPCUVIIFGRT-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000225269465 1158216853 /nfs/dbraw/zinc/21/68/53/1158216853.db2.gz IMDQFMBHNGLUGY-SWLSCSKDSA-N 1 3 312.435 0.665 20 0 DCADHO CCOC(=O)CC[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000385646412 685247368 /nfs/dbraw/zinc/24/73/68/685247368.db2.gz JFVGSCXFPZZHNB-RDBSUJKOSA-N 1 3 300.399 0.143 20 0 DCADHO CCOC(=O)CC[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000385646412 685247370 /nfs/dbraw/zinc/24/73/70/685247370.db2.gz JFVGSCXFPZZHNB-RDBSUJKOSA-N 1 3 300.399 0.143 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cn1 ZINC000959915810 688260230 /nfs/dbraw/zinc/26/02/30/688260230.db2.gz STMWMYCLYPMRRB-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CC[N@@H+](CCCO)C2)C1 ZINC000961230050 688576814 /nfs/dbraw/zinc/57/68/14/688576814.db2.gz KHUXIHIOJMTQBF-CABCVRRESA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CC[N@H+](CCCO)C2)C1 ZINC000961230050 688576820 /nfs/dbraw/zinc/57/68/20/688576820.db2.gz KHUXIHIOJMTQBF-CABCVRRESA-N 1 3 320.437 0.895 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962784802 688979485 /nfs/dbraw/zinc/97/94/85/688979485.db2.gz ZJVQTNXFWJZQSX-VZEFYGNVSA-N 1 3 317.433 0.789 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962784802 688979488 /nfs/dbraw/zinc/97/94/88/688979488.db2.gz ZJVQTNXFWJZQSX-VZEFYGNVSA-N 1 3 317.433 0.789 20 0 DCADHO CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000963839723 689103035 /nfs/dbraw/zinc/10/30/35/689103035.db2.gz WCRIGAIFJCHECS-QCUWXOPDSA-N 1 3 307.438 0.887 20 0 DCADHO CCN1CC[C@H](C)[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966167216 689664275 /nfs/dbraw/zinc/66/42/75/689664275.db2.gz MEBOGXRXNYXMQB-ZFWWWQNUSA-N 1 3 307.442 0.905 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001039127502 694308682 /nfs/dbraw/zinc/30/86/82/694308682.db2.gz QKUFMLRUAVYWMF-CABCVRRESA-N 1 3 322.453 0.126 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001039127502 694308688 /nfs/dbraw/zinc/30/86/88/694308688.db2.gz QKUFMLRUAVYWMF-CABCVRRESA-N 1 3 322.453 0.126 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC(N)=O)C2)CC1)N(C)C ZINC001039138590 694310418 /nfs/dbraw/zinc/31/04/18/694310418.db2.gz YFWWODNUMLORQA-HUUCEWRRSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1)N(C)C ZINC001039138590 694310424 /nfs/dbraw/zinc/31/04/24/694310424.db2.gz YFWWODNUMLORQA-HUUCEWRRSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC000969074796 690464082 /nfs/dbraw/zinc/46/40/82/690464082.db2.gz SUBPOBLVJPHBLI-HUUCEWRRSA-N 1 3 307.442 0.759 20 0 DCADHO C[C@H](O)CN1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007622312 690717546 /nfs/dbraw/zinc/71/75/46/690717546.db2.gz UPXCMFBUDBHMCC-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001016328766 692653383 /nfs/dbraw/zinc/65/33/83/692653383.db2.gz HLSPKQHHJYZFML-HNNXBMFYSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCCO)CC3)C1 ZINC001016818418 692777941 /nfs/dbraw/zinc/77/79/41/692777941.db2.gz DMHHKVNVILHNBI-GJZGRUSLSA-N 1 3 309.454 0.681 20 0 DCADHO NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001018850959 693262518 /nfs/dbraw/zinc/26/25/18/693262518.db2.gz IAMJWOPNMFNBBJ-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018850959 693262521 /nfs/dbraw/zinc/26/25/21/693262521.db2.gz IAMJWOPNMFNBBJ-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1)C1CC1 ZINC001018966096 693300285 /nfs/dbraw/zinc/30/02/85/693300285.db2.gz CBDSKHIBIYCZTM-GOEBONIOSA-N 1 3 319.453 0.493 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC001018990764 693310862 /nfs/dbraw/zinc/31/08/62/693310862.db2.gz OQDXISAVJSVSTG-KBPBESRZSA-N 1 3 320.441 0.678 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC001018990764 693310868 /nfs/dbraw/zinc/31/08/68/693310868.db2.gz OQDXISAVJSVSTG-KBPBESRZSA-N 1 3 320.441 0.678 20 0 DCADHO O=C(N1CC[C@H](N[C@@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019088592 693350656 /nfs/dbraw/zinc/35/06/56/693350656.db2.gz ZFFQPVYZZBDLRD-UONOGXRCSA-N 1 3 320.437 0.084 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001019469872 693483624 /nfs/dbraw/zinc/48/36/24/693483624.db2.gz SCZGLZLQQOCOTJ-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001019593406 693534611 /nfs/dbraw/zinc/53/46/11/693534611.db2.gz YGXYYWUFZOLURG-OCCSQVGLSA-N 1 3 310.442 0.171 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172129 693721191 /nfs/dbraw/zinc/72/11/91/693721191.db2.gz NOQKAVKYEPVAPR-KBUPBQIOSA-N 1 3 317.437 0.862 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172129 693721196 /nfs/dbraw/zinc/72/11/96/693721196.db2.gz NOQKAVKYEPVAPR-KBUPBQIOSA-N 1 3 317.437 0.862 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCOC2)C3)C1 ZINC001072983437 694691416 /nfs/dbraw/zinc/69/14/16/694691416.db2.gz WKJQVTYLWCNBIF-HOTGVXAUSA-N 1 3 321.465 0.899 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCOC2)C3)C1 ZINC001072983437 694691417 /nfs/dbraw/zinc/69/14/17/694691417.db2.gz WKJQVTYLWCNBIF-HOTGVXAUSA-N 1 3 321.465 0.899 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)O)C2 ZINC001073462704 694729435 /nfs/dbraw/zinc/72/94/35/694729435.db2.gz XFJHEMPAAVAHPY-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001073462704 694729437 /nfs/dbraw/zinc/72/94/37/694729437.db2.gz XFJHEMPAAVAHPY-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cncn3C)[C@@H]2C)CC[N@@H+]1C ZINC001074661740 694915738 /nfs/dbraw/zinc/91/57/38/694915738.db2.gz JJRUAQPIRXLWIV-CLWVCHIJSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cncn3C)[C@@H]2C)CC[N@H+]1C ZINC001074661740 694915739 /nfs/dbraw/zinc/91/57/39/694915739.db2.gz JJRUAQPIRXLWIV-CLWVCHIJSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001074755807 694920674 /nfs/dbraw/zinc/92/06/74/694920674.db2.gz ZELNJXIBKWJQRZ-LCEPCISISA-N 1 3 311.401 0.398 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C)C(N)=O ZINC001074831912 694925864 /nfs/dbraw/zinc/92/58/64/694925864.db2.gz JNRQITRGCUQOAY-PEDHHIEDSA-N 1 3 310.442 0.170 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C)C(N)=O ZINC001074831912 694925865 /nfs/dbraw/zinc/92/58/65/694925865.db2.gz JNRQITRGCUQOAY-PEDHHIEDSA-N 1 3 310.442 0.170 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)[C@@H]1C)N(C)C ZINC001074885460 694928569 /nfs/dbraw/zinc/92/85/69/694928569.db2.gz FENPNPNECQAGNQ-XUXIUFHCSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C)C(N)=O ZINC001074993551 694933827 /nfs/dbraw/zinc/93/38/27/694933827.db2.gz LDPXYVSIESJQLN-KKUMJFAQSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042287 694935884 /nfs/dbraw/zinc/93/58/84/694935884.db2.gz HHBFMTQLKOJESP-LZWOXQAQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075042287 694935885 /nfs/dbraw/zinc/93/58/85/694935885.db2.gz HHBFMTQLKOJESP-LZWOXQAQSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cn1 ZINC001075106650 694938313 /nfs/dbraw/zinc/93/83/13/694938313.db2.gz HUAOIUCNLODTCA-RCBQFDQVSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cn1 ZINC001075106650 694938314 /nfs/dbraw/zinc/93/83/14/694938314.db2.gz HUAOIUCNLODTCA-RCBQFDQVSA-N 1 3 317.437 0.816 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001076924162 695100599 /nfs/dbraw/zinc/10/05/99/695100599.db2.gz BRRSEGDJTZECTR-ZDUSSCGKSA-N 1 3 300.447 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001571181330 1162678039 /nfs/dbraw/zinc/67/80/39/1162678039.db2.gz NJGMTDXTYIBCTI-RBSFLKMASA-N 1 3 322.457 0.349 20 0 DCADHO C[C@H](CCC[NH2+][C@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001571269547 1162688854 /nfs/dbraw/zinc/68/88/54/1162688854.db2.gz BERUHCAYZWFMTB-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001687119889 1157359756 /nfs/dbraw/zinc/35/97/56/1157359756.db2.gz RNDREJRNCUQPKP-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO c1nnc([C@H]2CCCN(CCN3CC[NH2+]CC3)C2)n1C1CC1 ZINC001772532093 1157507301 /nfs/dbraw/zinc/50/73/01/1157507301.db2.gz QVSUCKXXVCSZBM-AWEZNQCLSA-N 1 3 304.442 0.698 20 0 DCADHO O[C@H](CN[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000398292282 1158115209 /nfs/dbraw/zinc/11/52/09/1158115209.db2.gz MAJSVIMIYRPBHT-BDXSIMOUSA-N 1 3 312.417 0.964 20 0 DCADHO O[C@H](CN[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000398292282 1158115212 /nfs/dbraw/zinc/11/52/12/1158115212.db2.gz MAJSVIMIYRPBHT-BDXSIMOUSA-N 1 3 312.417 0.964 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001649088215 1158636107 /nfs/dbraw/zinc/63/61/07/1158636107.db2.gz JYFHPZOMNJUQIX-HOTGVXAUSA-N 1 3 304.438 0.643 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001649088214 1158636339 /nfs/dbraw/zinc/63/63/39/1158636339.db2.gz JYFHPZOMNJUQIX-CVEARBPZSA-N 1 3 304.438 0.643 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001671280826 1158717633 /nfs/dbraw/zinc/71/76/33/1158717633.db2.gz HRZWNCNUHIRQDH-CVEARBPZSA-N 1 3 319.453 0.637 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001687551512 1159041597 /nfs/dbraw/zinc/04/15/97/1159041597.db2.gz RPYAWRZDWLALOP-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001687551512 1159041605 /nfs/dbraw/zinc/04/16/05/1159041605.db2.gz RPYAWRZDWLALOP-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001445957432 1159324663 /nfs/dbraw/zinc/32/46/63/1159324663.db2.gz UYHIUXZBLUABPZ-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCCN(CCCF)C2)C1 ZINC001447047562 1159568545 /nfs/dbraw/zinc/56/85/45/1159568545.db2.gz VMQBBJVYWUONDU-ZBFHGGJFSA-N 1 3 315.433 0.631 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCCN(CCCF)C2)C1 ZINC001447047562 1159568550 /nfs/dbraw/zinc/56/85/50/1159568550.db2.gz VMQBBJVYWUONDU-ZBFHGGJFSA-N 1 3 315.433 0.631 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)NCC3CC3)CCC2)C1 ZINC001447262921 1159606000 /nfs/dbraw/zinc/60/60/00/1159606000.db2.gz HPVFATBRKQJDLU-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)NCC3CC3)CCC2)C1 ZINC001447262921 1159606005 /nfs/dbraw/zinc/60/60/05/1159606005.db2.gz HPVFATBRKQJDLU-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001453218850 1159751797 /nfs/dbraw/zinc/75/17/97/1159751797.db2.gz YOUQOFWPDXBKDF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001453218850 1159751803 /nfs/dbraw/zinc/75/18/03/1159751803.db2.gz YOUQOFWPDXBKDF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CCCN1C ZINC001568731077 1160752968 /nfs/dbraw/zinc/75/29/68/1160752968.db2.gz XKZSHWIBCBPRKI-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001568858363 1160823322 /nfs/dbraw/zinc/82/33/22/1160823322.db2.gz LYLOPIMAFFMIEE-PUWCWTCHSA-N 1 3 308.426 0.011 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001568858363 1160823328 /nfs/dbraw/zinc/82/33/28/1160823328.db2.gz LYLOPIMAFFMIEE-PUWCWTCHSA-N 1 3 308.426 0.011 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001568952212 1160894071 /nfs/dbraw/zinc/89/40/71/1160894071.db2.gz VJNCDWWPEOOPPK-WSNITJDQSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCc2ccnn2C)C1 ZINC001569239386 1160990000 /nfs/dbraw/zinc/99/00/00/1160990000.db2.gz AVVSFCOVYSPRAX-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO COCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001569479582 1161072404 /nfs/dbraw/zinc/07/24/04/1161072404.db2.gz ZCANBRSXGHFEDR-MRXNPFEDSA-N 1 3 306.410 0.913 20 0 DCADHO COCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001569479582 1161072409 /nfs/dbraw/zinc/07/24/09/1161072409.db2.gz ZCANBRSXGHFEDR-MRXNPFEDSA-N 1 3 306.410 0.913 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001569968093 1161357369 /nfs/dbraw/zinc/35/73/69/1161357369.db2.gz BQUMFUGVZDNWMS-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[NH+](C)CCCOc1cnccc1CNC(=O)[C@H]1C[C@@H](F)CN1 ZINC001573859000 1163569706 /nfs/dbraw/zinc/56/97/06/1163569706.db2.gz QDAXBXPVMFNMNW-ZIAGYGMSSA-N 1 3 324.400 0.728 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC([C@@H]3C[C@H]3[NH3+])CC2)C1=O ZINC001573921281 1163587533 /nfs/dbraw/zinc/58/75/33/1163587533.db2.gz CRILINAIEQEEBF-MJBXVCDLSA-N 1 3 309.410 0.210 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC001575141669 1163915730 /nfs/dbraw/zinc/91/57/30/1163915730.db2.gz XTZXAMIVNBQVJT-SWLSCSKDSA-N 1 3 301.406 0.775 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCc2cn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001575450851 1164019969 /nfs/dbraw/zinc/01/99/69/1164019969.db2.gz MEODTHVQDFMIFI-BPLDGKMQSA-N 1 3 322.457 0.370 20 0 DCADHO CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)CC1C[NH2+]C1 ZINC001575619074 1164085443 /nfs/dbraw/zinc/08/54/43/1164085443.db2.gz UBFLARHXCXFZAC-AWEZNQCLSA-N 1 3 303.472 0.636 20 0 DCADHO CC1(C)CCCN(CCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001576433973 1164341351 /nfs/dbraw/zinc/34/13/51/1164341351.db2.gz MINXNSSQRVPCPO-UHFFFAOYSA-N 1 3 322.457 0.869 20 0 DCADHO CCN(CCNCc1c[nH]nn1)C(=O)CC1CC[NH+](C)CC1 ZINC001576542523 1164383636 /nfs/dbraw/zinc/38/36/36/1164383636.db2.gz PVTIKBXSWYEQBM-UHFFFAOYSA-N 1 3 308.430 0.475 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001576574540 1164400902 /nfs/dbraw/zinc/40/09/02/1164400902.db2.gz UIMDBFLVJOIDHX-KWCYVHTRSA-N 1 3 308.426 0.095 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2CCOC3(CC[NH2+]CC3)C2)CN1C1CC1 ZINC001576617132 1164413677 /nfs/dbraw/zinc/41/36/77/1164413677.db2.gz QFGBWTGXBBPFNE-KBPBESRZSA-N 1 3 322.453 0.776 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C[NH2+]1 ZINC001576656330 1164424466 /nfs/dbraw/zinc/42/44/66/1164424466.db2.gz GXBYDXSTLCTYQT-SLBVQIDZSA-N 1 3 319.453 0.712 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@H]2CNCc2cn[nH]n2)CC1 ZINC001576879647 1164514396 /nfs/dbraw/zinc/51/43/96/1164514396.db2.gz OEVKLVVPQABBHV-AWEZNQCLSA-N 1 3 306.414 0.227 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@H]2CNCc2c[nH]nn2)CC1 ZINC001576879647 1164514398 /nfs/dbraw/zinc/51/43/98/1164514398.db2.gz OEVKLVVPQABBHV-AWEZNQCLSA-N 1 3 306.414 0.227 20 0 DCADHO CC[C@@H](C)N[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccco1 ZINC001577004545 1164579826 /nfs/dbraw/zinc/57/98/26/1164579826.db2.gz WQVCIDSEVHYGMR-NEPJUHHUSA-N 1 3 320.397 0.689 20 0 DCADHO CCN(CCNC(=O)[C@@H]([NH3+])CC(=O)OC)CCC(F)(F)F ZINC001577722899 1164775350 /nfs/dbraw/zinc/77/53/50/1164775350.db2.gz RLTZXLUDUUVOHX-VIFPVBQESA-N 1 3 313.320 0.267 20 0 DCADHO CC[N@H+](CCNC(=O)[C@@H](N)CC(=O)OC)CCC(F)(F)F ZINC001577722899 1164775338 /nfs/dbraw/zinc/77/53/38/1164775338.db2.gz RLTZXLUDUUVOHX-VIFPVBQESA-N 1 3 313.320 0.267 20 0 DCADHO CC[N@@H+](CCNC(=O)[C@@H](N)CC(=O)OC)CCC(F)(F)F ZINC001577722899 1164775345 /nfs/dbraw/zinc/77/53/45/1164775345.db2.gz RLTZXLUDUUVOHX-VIFPVBQESA-N 1 3 313.320 0.267 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NCC1(NCc2c[nH]nn2)CCC1 ZINC001577828260 1164805370 /nfs/dbraw/zinc/80/53/70/1164805370.db2.gz RRTGVATWLAYGPA-UHFFFAOYSA-N 1 3 320.441 0.809 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001578418773 1165009319 /nfs/dbraw/zinc/00/93/19/1165009319.db2.gz HSNHFHRWMKVJOW-SWLSCSKDSA-N 1 3 306.414 0.790 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccnc([C@@H]3CCCN3)n2)C1 ZINC001578525980 1165045336 /nfs/dbraw/zinc/04/53/36/1165045336.db2.gz VVFUWQPCAUFBGS-XHDPSFHLSA-N 1 3 320.397 0.089 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccnc([C@@H]3CCCN3)n2)C1 ZINC001578525980 1165045340 /nfs/dbraw/zinc/04/53/40/1165045340.db2.gz VVFUWQPCAUFBGS-XHDPSFHLSA-N 1 3 320.397 0.089 20 0 DCADHO COCC1(C2CCC2)C[NH+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001578980683 1165177349 /nfs/dbraw/zinc/17/73/49/1165177349.db2.gz IFGCADMWJFQINR-AWEZNQCLSA-N 1 3 309.454 0.932 20 0 DCADHO COCC[C@H]([NH3+])CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001579004976 1165185020 /nfs/dbraw/zinc/18/50/20/1165185020.db2.gz YXYJNMPOHWSZIW-RWMBFGLXSA-N 1 3 317.430 0.168 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@@H]2CCC[NH2+]CC2)CC1 ZINC001579039636 1165193829 /nfs/dbraw/zinc/19/38/29/1165193829.db2.gz WXTIJQJUQDCVOZ-CQSZACIVSA-N 1 3 312.458 0.786 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)CC[NH2+]1 ZINC001579468175 1165320821 /nfs/dbraw/zinc/32/08/21/1165320821.db2.gz ARHMUFCCGKUBSQ-VDERGJSUSA-N 1 3 309.454 0.869 20 0 DCADHO [NH3+][C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC001580113692 1165508412 /nfs/dbraw/zinc/50/84/12/1165508412.db2.gz MKDBSUFRHPTVKM-IAGOWNOFSA-N 1 3 317.433 0.649 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc21 ZINC001580191591 1165533403 /nfs/dbraw/zinc/53/34/03/1165533403.db2.gz RXQVSKCFIUVXQU-CHWSQXEVSA-N 1 3 321.425 0.253 20 0 DCADHO [NH3+]CC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC(O)C1 ZINC001580233879 1165542309 /nfs/dbraw/zinc/54/23/09/1165542309.db2.gz DPBYFAJMUNUGKU-HJOIGYKYSA-N 1 3 317.433 0.867 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC001580278599 1165555502 /nfs/dbraw/zinc/55/55/02/1165555502.db2.gz OIZUFCZAASIOAS-JYJNAYRXSA-N 1 3 319.405 0.556 20 0 DCADHO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001580478837 1165616290 /nfs/dbraw/zinc/61/62/90/1165616290.db2.gz GYIYSVVCBIEGGJ-HWMZRRJGSA-N 1 3 307.438 0.434 20 0 DCADHO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CNCc2ccccc21 ZINC001580590651 1165647136 /nfs/dbraw/zinc/64/71/36/1165647136.db2.gz LJAXADDBWABGFW-HOCLYGCPSA-N 1 3 303.406 0.446 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC001580590651 1165647138 /nfs/dbraw/zinc/64/71/38/1165647138.db2.gz LJAXADDBWABGFW-HOCLYGCPSA-N 1 3 303.406 0.446 20 0 DCADHO O=C(N[C@H](CO)CN1CCCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC001580592540 1165648536 /nfs/dbraw/zinc/64/85/36/1165648536.db2.gz ZXKGTOSDGOEPEA-INIZCTEOSA-N 1 3 303.406 0.866 20 0 DCADHO O=C(NC[C@H]1CC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001580657755 1165676327 /nfs/dbraw/zinc/67/63/27/1165676327.db2.gz BBURDKHFCMOFQB-WBVHZDCISA-N 1 3 318.421 0.285 20 0 DCADHO O=C1CC[C@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)CC[C@H]2N1 ZINC001580846234 1165735869 /nfs/dbraw/zinc/73/58/69/1165735869.db2.gz UXVXKCPNFRXQPZ-DZGCQCFKSA-N 1 3 318.421 0.790 20 0 DCADHO CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001646057233 1172235052 /nfs/dbraw/zinc/23/50/52/1172235052.db2.gz LKEKBTVIOLCQNV-MRXNPFEDSA-N 1 3 324.469 0.576 20 0 DCADHO COC1CCN(CCNC(=O)C2([C@@H](C)[NH3+])CCOCC2)CC1 ZINC001646746765 1172507648 /nfs/dbraw/zinc/50/76/48/1172507648.db2.gz GAXMTNLTNFFCGD-CYBMUJFWSA-N 1 3 313.442 0.357 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001646800730 1172540179 /nfs/dbraw/zinc/54/01/79/1172540179.db2.gz VJVCLURAYNQEFZ-RYUDHWBXSA-N 1 3 301.456 0.423 20 0 DCADHO [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccccc1 ZINC001646835773 1172558428 /nfs/dbraw/zinc/55/84/28/1172558428.db2.gz CRTNWFVIRMNISA-YESZJQIVSA-N 1 3 317.433 0.787 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC001647574779 1172978216 /nfs/dbraw/zinc/97/82/16/1172978216.db2.gz HEKWLRMCYSGADY-QXSJWSMHSA-N 1 3 323.485 0.262 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+]1C ZINC001649879131 1173279357 /nfs/dbraw/zinc/27/93/57/1173279357.db2.gz CCFCTXPKWCWCNG-ZYHUDNBSSA-N 1 3 322.413 0.265 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+]1C ZINC001649879131 1173279360 /nfs/dbraw/zinc/27/93/60/1173279360.db2.gz CCFCTXPKWCWCNG-ZYHUDNBSSA-N 1 3 322.413 0.265 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001649998816 1173366790 /nfs/dbraw/zinc/36/67/90/1173366790.db2.gz BNEAJIIYCZVLRI-CKDBGZEDSA-N 1 3 322.453 0.905 20 0 DCADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001650160342 1173489591 /nfs/dbraw/zinc/48/95/91/1173489591.db2.gz PILJVUXBAXBAII-KLZNWCGWSA-N 1 3 322.453 0.763 20 0 DCADHO COCCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001650335792 1173574825 /nfs/dbraw/zinc/57/48/25/1173574825.db2.gz DOGWWLOCXRGHJV-ILXRZTDVSA-N 1 3 313.442 0.228 20 0 DCADHO Cc1ccc([C@H](CNC(=O)C[C@H](O)C[NH3+])N2CCCC2)cc1 ZINC001650337416 1173576508 /nfs/dbraw/zinc/57/65/08/1173576508.db2.gz WFVSPKCRPVXKJN-HOTGVXAUSA-N 1 3 305.422 0.958 20 0 DCADHO CCO[C@@H](CNC(=O)c1ccc2c(c1)OCCNC2)C[NH+](C)C ZINC001650394317 1173615984 /nfs/dbraw/zinc/61/59/84/1173615984.db2.gz HETIGYLOCULPCK-HNNXBMFYSA-N 1 3 321.421 0.865 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)c1[nH]nc3c1CNCC3)CC2 ZINC001650400075 1173621345 /nfs/dbraw/zinc/62/13/45/1173621345.db2.gz PPDLDVBSZRSQTF-LLVKDONJSA-N 1 3 319.409 0.025 20 0 DCADHO [NH3+]CC1(c2ccccc2)CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC001650408874 1173626020 /nfs/dbraw/zinc/62/60/20/1173626020.db2.gz DGYKLQYAPIINGE-MRXNPFEDSA-N 1 3 317.433 0.884 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001656642890 1173871919 /nfs/dbraw/zinc/87/19/19/1173871919.db2.gz BRYUADRAYIYWAG-UHFFFAOYSA-N 1 3 321.425 0.640 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCOCC2CC2)C1 ZINC001662690092 1174231532 /nfs/dbraw/zinc/23/15/32/1174231532.db2.gz CLROVFJGUYNQLY-AWEZNQCLSA-N 1 3 306.410 0.817 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)[C@@H]1CCCN1C ZINC001666871138 1174642893 /nfs/dbraw/zinc/64/28/93/1174642893.db2.gz UUNCWSYCLGBAEB-ZFWWWQNUSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@H](CCNCC(=O)Nc1ccon1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309366 1174781311 /nfs/dbraw/zinc/78/13/11/1174781311.db2.gz HYDFSKWTLLXGGR-VXGBXAGGSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@H](CCNCC(=O)Nc1ccon1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668309366 1174781315 /nfs/dbraw/zinc/78/13/15/1174781315.db2.gz HYDFSKWTLLXGGR-VXGBXAGGSA-N 1 3 323.397 0.049 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001668484055 1174802318 /nfs/dbraw/zinc/80/23/18/1174802318.db2.gz YCPXSCJZQYOYDO-UHFFFAOYSA-N 1 3 319.453 0.987 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)N(C)C2CC2)C1 ZINC001669039547 1174881217 /nfs/dbraw/zinc/88/12/17/1174881217.db2.gz OCOTZJMZHAGHSP-RDFMZFSFSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)N(C)C2CC2)C1 ZINC001669039547 1174881223 /nfs/dbraw/zinc/88/12/23/1174881223.db2.gz OCOTZJMZHAGHSP-RDFMZFSFSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001669207879 1174910582 /nfs/dbraw/zinc/91/05/82/1174910582.db2.gz PWGSOXHTBGDVKC-LPUOJRKPSA-N 1 3 322.453 0.257 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001670042125 1174975174 /nfs/dbraw/zinc/97/51/74/1174975174.db2.gz SQFPFDPFCCCLSC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001670144288 1174986010 /nfs/dbraw/zinc/98/60/10/1174986010.db2.gz MSABYMQQGVIYHD-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001687095298 1176276532 /nfs/dbraw/zinc/27/65/32/1176276532.db2.gz KYMGGTZVDRDLGX-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001687095298 1176276535 /nfs/dbraw/zinc/27/65/35/1176276535.db2.gz KYMGGTZVDRDLGX-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNC(=O)[C@@H]2CCCN2C)C1 ZINC001689268919 1176778901 /nfs/dbraw/zinc/77/89/01/1176778901.db2.gz MPDAVKDTYVPNPQ-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNC(=O)[C@@H]2CCCN2C)C1 ZINC001689268919 1176778908 /nfs/dbraw/zinc/77/89/08/1176778908.db2.gz MPDAVKDTYVPNPQ-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CC[C@H](N(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)C1=O ZINC001690014503 1177142937 /nfs/dbraw/zinc/14/29/37/1177142937.db2.gz GBHIYRGJHSYDHE-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CC[C@H](N(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)C1=O ZINC001690014503 1177142944 /nfs/dbraw/zinc/14/29/44/1177142944.db2.gz GBHIYRGJHSYDHE-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC[N@@H+]1C ZINC001690906655 1177347408 /nfs/dbraw/zinc/34/74/08/1177347408.db2.gz AGGWVOKFBCGEMD-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC[N@H+]1C ZINC001690906655 1177347412 /nfs/dbraw/zinc/34/74/12/1177347412.db2.gz AGGWVOKFBCGEMD-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F)N(C)C ZINC001699064185 1177816662 /nfs/dbraw/zinc/81/66/62/1177816662.db2.gz QAJLCFWEQFKFAW-WDEREUQCSA-N 1 3 313.364 0.592 20 0 DCADHO CCN(CCNCC(=O)N(C)C(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001699214798 1177946488 /nfs/dbraw/zinc/94/64/88/1177946488.db2.gz RFASCUWACOWGFL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001699345913 1178091206 /nfs/dbraw/zinc/09/12/06/1178091206.db2.gz RJCVSWVWJNIRJD-DPOFCPOHSA-N 1 3 322.453 0.401 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001699345913 1178091215 /nfs/dbraw/zinc/09/12/15/1178091215.db2.gz RJCVSWVWJNIRJD-DPOFCPOHSA-N 1 3 322.453 0.401 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001699345914 1178091324 /nfs/dbraw/zinc/09/13/24/1178091324.db2.gz RJCVSWVWJNIRJD-SSBHQGKESA-N 1 3 322.453 0.401 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001699345914 1178091334 /nfs/dbraw/zinc/09/13/34/1178091334.db2.gz RJCVSWVWJNIRJD-SSBHQGKESA-N 1 3 322.453 0.401 20 0 DCADHO C[C@H](C[NH2+]CCCN1CCCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001699380535 1178110815 /nfs/dbraw/zinc/11/08/15/1178110815.db2.gz QIGSDDGTDMOIRU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001699509104 1178173168 /nfs/dbraw/zinc/17/31/68/1178173168.db2.gz KAXMCLOMEXFFNL-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001705043564 1180239925 /nfs/dbraw/zinc/23/99/25/1180239925.db2.gz SKIYSQMIUCNUTE-WBTMPAOCSA-N 1 3 324.469 0.457 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001705043564 1180239931 /nfs/dbraw/zinc/23/99/31/1180239931.db2.gz SKIYSQMIUCNUTE-WBTMPAOCSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(OC)nc1)N(C)C ZINC001713605806 1180962635 /nfs/dbraw/zinc/96/26/35/1180962635.db2.gz OEDBHKCCZOBWLJ-CQSZACIVSA-N 1 3 308.426 0.978 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001713621379 1180973954 /nfs/dbraw/zinc/97/39/54/1180973954.db2.gz MDLZRDYFEQDKJT-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CCOCCO)CC1 ZINC001713784991 1181064200 /nfs/dbraw/zinc/06/42/00/1181064200.db2.gz CVRDYCUKYUELHA-UHFFFAOYSA-N 1 3 315.458 0.258 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCc1ccnn1C ZINC001715235083 1181726976 /nfs/dbraw/zinc/72/69/76/1181726976.db2.gz WKHOIDCWTFOQLE-AWEZNQCLSA-N 1 3 321.469 0.789 20 0 DCADHO Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCN2C)cn1 ZINC001715630712 1181909169 /nfs/dbraw/zinc/90/91/69/1181909169.db2.gz JYMNRUOCWQRYEK-IUODEOHRSA-N 1 3 305.426 0.864 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715733599 1181966448 /nfs/dbraw/zinc/96/64/48/1181966448.db2.gz GADOUKZVBBIBAZ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715733599 1181966455 /nfs/dbraw/zinc/96/64/55/1181966455.db2.gz GADOUKZVBBIBAZ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001715899033 1182087737 /nfs/dbraw/zinc/08/77/37/1182087737.db2.gz ZSJDNYPKKQGROU-XQJDBVBESA-N 1 3 320.437 0.011 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@@H]1CCCNC1=O)[NH+](C)C ZINC001716306635 1182320634 /nfs/dbraw/zinc/32/06/34/1182320634.db2.gz ZTKVWHHBNDWMFU-IHDARNGBSA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001716550343 1182436888 /nfs/dbraw/zinc/43/68/88/1182436888.db2.gz ZVTDQTYRLDEBFX-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C)C(=O)N(C)C ZINC001723056266 1184256407 /nfs/dbraw/zinc/25/64/07/1184256407.db2.gz YFGJZWHZOPMOKP-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001724922751 1184621518 /nfs/dbraw/zinc/62/15/18/1184621518.db2.gz NNJNQPOJURYPIF-KBPBESRZSA-N 1 3 313.442 0.107 20 0 DCADHO CCOCCC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001724984953 1184644616 /nfs/dbraw/zinc/64/46/16/1184644616.db2.gz POCNUMZQVRLTQP-UHFFFAOYSA-N 1 3 324.425 0.322 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001725786868 1184994903 /nfs/dbraw/zinc/99/49/03/1184994903.db2.gz QTJIZFVNLOLFFK-UHFFFAOYSA-N 1 3 319.409 0.057 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731436539 1185332727 /nfs/dbraw/zinc/33/27/27/1185332727.db2.gz YTBIFKXDPONNRM-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731436539 1185332731 /nfs/dbraw/zinc/33/27/31/1185332731.db2.gz YTBIFKXDPONNRM-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001731911634 1185569260 /nfs/dbraw/zinc/56/92/60/1185569260.db2.gz STDFUYDYRIPIJK-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC2CC2)CC[N@H+]1C ZINC001731911634 1185569264 /nfs/dbraw/zinc/56/92/64/1185569264.db2.gz STDFUYDYRIPIJK-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCNCc1cn(C)nc1C)C(=O)C12CC[NH+](CC1)C2 ZINC001732806653 1185977197 /nfs/dbraw/zinc/97/71/97/1185977197.db2.gz HVIBTUWQWIFPFM-UHFFFAOYSA-N 1 3 319.453 0.762 20 0 DCADHO COc1ccc(CNC/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001732933719 1186067036 /nfs/dbraw/zinc/06/70/36/1186067036.db2.gz LUGXVQJXMVKVFC-JZIMQPMSSA-N 1 3 318.421 0.804 20 0 DCADHO COc1ccc(CNC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001732933719 1186067038 /nfs/dbraw/zinc/06/70/38/1186067038.db2.gz LUGXVQJXMVKVFC-JZIMQPMSSA-N 1 3 318.421 0.804 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)NC ZINC001732944997 1186073749 /nfs/dbraw/zinc/07/37/49/1186073749.db2.gz YLRXOJGZNOUZIA-YOIVVXPQSA-N 1 3 310.442 0.257 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)NC ZINC001732944997 1186073756 /nfs/dbraw/zinc/07/37/56/1186073756.db2.gz YLRXOJGZNOUZIA-YOIVVXPQSA-N 1 3 310.442 0.257 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC ZINC001732944996 1186074399 /nfs/dbraw/zinc/07/43/99/1186074399.db2.gz YLRXOJGZNOUZIA-LAYDCRAFSA-N 1 3 310.442 0.257 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC ZINC001732944996 1186074401 /nfs/dbraw/zinc/07/44/01/1186074401.db2.gz YLRXOJGZNOUZIA-LAYDCRAFSA-N 1 3 310.442 0.257 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001732954383 1186079774 /nfs/dbraw/zinc/07/97/74/1186079774.db2.gz OYQFSQYNLPLNDH-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CCC[NH2+]CC(=O)N(C)CC1CC1)C(=O)[C@H]1CCCN1C ZINC001733092928 1186134667 /nfs/dbraw/zinc/13/46/67/1186134667.db2.gz SGQHVDLXCVAUKV-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001733735779 1186421991 /nfs/dbraw/zinc/42/19/91/1186421991.db2.gz SVUHUPRDOTXAIA-UONOGXRCSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001733735779 1186421994 /nfs/dbraw/zinc/42/19/94/1186421994.db2.gz SVUHUPRDOTXAIA-UONOGXRCSA-N 1 3 301.406 0.646 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCO[C@H](CNCCF)C1 ZINC001733752466 1186433145 /nfs/dbraw/zinc/43/31/45/1186433145.db2.gz ZRURKROIVLWIFS-CQSZACIVSA-N 1 3 301.406 0.649 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001742417933 1187979749 /nfs/dbraw/zinc/97/97/49/1187979749.db2.gz LBCHDBVKMOPCQG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCC(C)CC1)[C@@H]1CCNC1=O ZINC001752219641 1188404870 /nfs/dbraw/zinc/40/48/70/1188404870.db2.gz SQZFDRXUAHDGDE-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCC(C)CC1)[C@@H]1CCNC1=O ZINC001752219641 1188404873 /nfs/dbraw/zinc/40/48/73/1188404873.db2.gz SQZFDRXUAHDGDE-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001752222456 1188404932 /nfs/dbraw/zinc/40/49/32/1188404932.db2.gz FKGQKUWNDKHCGO-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001752222456 1188404933 /nfs/dbraw/zinc/40/49/33/1188404933.db2.gz FKGQKUWNDKHCGO-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)N1CCC[C@H](CC[NH2+]CC(N)=O)C1)C1CCC1 ZINC001753548404 1188617160 /nfs/dbraw/zinc/61/71/60/1188617160.db2.gz OFYDSDSTGBOMRA-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001753795414 1188655764 /nfs/dbraw/zinc/65/57/64/1188655764.db2.gz GHVBJSWFFNGZJG-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001753795417 1188656282 /nfs/dbraw/zinc/65/62/82/1188656282.db2.gz GHVBJSWFFNGZJG-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCOCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001753877246 1188670418 /nfs/dbraw/zinc/67/04/18/1188670418.db2.gz ZBLIISKAAKDJHQ-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO CCOCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001753877246 1188670422 /nfs/dbraw/zinc/67/04/22/1188670422.db2.gz ZBLIISKAAKDJHQ-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001753999597 1188706621 /nfs/dbraw/zinc/70/66/21/1188706621.db2.gz MVWOLNAVJZHBOW-ABAIWWIYSA-N 1 3 316.421 0.169 20 0 DCADHO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001753999599 1188706748 /nfs/dbraw/zinc/70/67/48/1188706748.db2.gz MVWOLNAVJZHBOW-NHYWBVRUSA-N 1 3 316.421 0.169 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001754941865 1188977656 /nfs/dbraw/zinc/97/76/56/1188977656.db2.gz CVQABIWRRPMZLX-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO COCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001755443773 1189113702 /nfs/dbraw/zinc/11/37/02/1189113702.db2.gz DAPDWROJVXHBBE-ZFWWWQNUSA-N 1 3 324.425 0.584 20 0 DCADHO CN1CCC[C@H]1C(=O)N(CCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001758558266 1189923734 /nfs/dbraw/zinc/92/37/34/1189923734.db2.gz BEEZGRMTSSBHMJ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)CN(C)C ZINC000314046748 1190398673 /nfs/dbraw/zinc/39/86/73/1190398673.db2.gz STMWTIZQTMYMRN-IUODEOHRSA-N 1 3 314.451 0.911 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)CN1CCN(C)CC1 ZINC001772054200 1190419660 /nfs/dbraw/zinc/41/96/60/1190419660.db2.gz DQFYFFLEWMWPKI-RRFJBIMHSA-N 1 3 311.474 0.106 20 0 DCADHO CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001772220778 1190632948 /nfs/dbraw/zinc/63/29/48/1190632948.db2.gz XNXBNMMIOYAAJM-KBPBESRZSA-N 1 3 322.478 0.905 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001772222282 1190634141 /nfs/dbraw/zinc/63/41/41/1190634141.db2.gz FJOCGYFGDKKAAF-RISCZKNCSA-N 1 3 318.421 0.969 20 0 DCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001575115753 1163904568 /nfs/dbraw/zinc/90/45/68/1163904568.db2.gz JLIZXHCGKQPXFS-BPUTZDHNSA-N 1 3 300.443 0.586 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(N)n3)CC[C@H]2C1 ZINC001164854728 720843472 /nfs/dbraw/zinc/84/34/72/720843472.db2.gz RWGMKPZYWLYIKR-UONOGXRCSA-N 1 3 306.410 0.837 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N)n3)CC[C@H]2C1 ZINC001164854728 720843473 /nfs/dbraw/zinc/84/34/73/720843473.db2.gz RWGMKPZYWLYIKR-UONOGXRCSA-N 1 3 306.410 0.837 20 0 DCADHO CCC[C@H](C)C(=O)NCC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001577335761 1164673834 /nfs/dbraw/zinc/67/38/34/1164673834.db2.gz BFBWFRLODIXYEK-KBPBESRZSA-N 1 3 312.458 0.326 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC(C)(C)C ZINC001127466439 751406988 /nfs/dbraw/zinc/40/69/88/751406988.db2.gz FGKPHBCDMWJLNL-TZMCWYRMSA-N 1 3 324.469 0.337 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127479308 751413776 /nfs/dbraw/zinc/41/37/76/751413776.db2.gz BZSXBAOXYQUXRE-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001127643656 751601606 /nfs/dbraw/zinc/60/16/06/751601606.db2.gz FPBVUJNTESEMTC-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC(C)(C)C)CC[N@H+]1C ZINC001127643656 751601612 /nfs/dbraw/zinc/60/16/12/751601612.db2.gz FPBVUJNTESEMTC-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)N(C)C ZINC001107533868 752104088 /nfs/dbraw/zinc/10/40/88/752104088.db2.gz KMABQGSQUQNRKO-BFYDXBDKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)N(C)C ZINC001107533868 752104091 /nfs/dbraw/zinc/10/40/91/752104091.db2.gz KMABQGSQUQNRKO-BFYDXBDKSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618370 752111481 /nfs/dbraw/zinc/11/14/81/752111481.db2.gz GCUDFSWTGNMZBS-IACUBPJLSA-N 1 3 301.406 0.238 20 0 DCADHO CN(CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001167240586 747035778 /nfs/dbraw/zinc/03/57/78/747035778.db2.gz OONLJCYHSRNONY-UHFFFAOYSA-N 1 3 312.458 0.326 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCOCCO)CC1)N(C)C ZINC001167260876 747044486 /nfs/dbraw/zinc/04/44/86/747044486.db2.gz NXQAKIAJPBJJFC-AWEZNQCLSA-N 1 3 315.458 0.212 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167260913 747045372 /nfs/dbraw/zinc/04/53/72/747045372.db2.gz PWVLMUFXOBGPCI-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001210811903 747138076 /nfs/dbraw/zinc/13/80/76/747138076.db2.gz RIUNVVZDPBZCMV-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626478 747436473 /nfs/dbraw/zinc/43/64/73/747436473.db2.gz CGFGJQTTWODQCZ-CABCVRRESA-N 1 3 315.458 0.353 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001167626942 747437146 /nfs/dbraw/zinc/43/71/46/747437146.db2.gz HYDVOEKFJMKRJP-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433754 747440576 /nfs/dbraw/zinc/44/05/76/747440576.db2.gz WCNRYRPZGPZYKI-HCBPCCMXSA-N 1 3 321.465 0.944 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1 ZINC001087257282 747553957 /nfs/dbraw/zinc/55/39/57/747553957.db2.gz JTIXQKNSVSPVTG-QWHCGFSZSA-N 1 3 321.425 0.638 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001087257282 747553963 /nfs/dbraw/zinc/55/39/63/747553963.db2.gz JTIXQKNSVSPVTG-QWHCGFSZSA-N 1 3 321.425 0.638 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CCO ZINC001104683320 747830417 /nfs/dbraw/zinc/83/04/17/747830417.db2.gz KELWBVCLFRXCKI-HUUCEWRRSA-N 1 3 311.470 0.785 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C(C)(C)[N@H+](C)CC)C2)nn1 ZINC001105272416 748095951 /nfs/dbraw/zinc/09/59/51/748095951.db2.gz LBTWBCJGPZCUMD-UHFFFAOYSA-N 1 3 322.457 0.891 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)nn1 ZINC001105272416 748095956 /nfs/dbraw/zinc/09/59/56/748095956.db2.gz LBTWBCJGPZCUMD-UHFFFAOYSA-N 1 3 322.457 0.891 20 0 DCADHO CC(C)CNCc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315399 748123453 /nfs/dbraw/zinc/12/34/53/748123453.db2.gz LPTSXXPXIXFKOB-UHFFFAOYSA-N 1 3 322.457 0.749 20 0 DCADHO CC(C)N1CCN(c2ccc(-n3nnc(CC[NH3+])n3)cn2)CC1 ZINC001167790494 748312891 /nfs/dbraw/zinc/31/28/91/748312891.db2.gz HQOZOBCJNBJRBZ-UHFFFAOYSA-N 1 3 316.413 0.089 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001167836312 748412099 /nfs/dbraw/zinc/41/20/99/748412099.db2.gz SXTGIURSRHKZKN-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992939 749179011 /nfs/dbraw/zinc/17/90/11/749179011.db2.gz SQLDCBFIPAFAIJ-KFWWJZLASA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992939 749179015 /nfs/dbraw/zinc/17/90/15/749179015.db2.gz SQLDCBFIPAFAIJ-KFWWJZLASA-N 1 3 309.454 0.632 20 0 DCADHO CN(C)C1(C(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001088326455 749370187 /nfs/dbraw/zinc/37/01/87/749370187.db2.gz PHWVXFCKEVEGOY-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@]1(O)CN[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C1 ZINC001211936059 749680051 /nfs/dbraw/zinc/68/00/51/749680051.db2.gz ZCCUJRADLJABNB-SWLSCSKDSA-N 1 3 301.350 0.563 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088655822 749832559 /nfs/dbraw/zinc/83/25/59/749832559.db2.gz SZZSICSBYAFHEF-KFWWJZLASA-N 1 3 309.454 0.822 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101036691 749981711 /nfs/dbraw/zinc/98/17/11/749981711.db2.gz YRWVFAHEJLEHOL-UHFFFAOYSA-N 1 3 312.458 0.337 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)c1ccn2cncc2c1 ZINC001077312029 750340212 /nfs/dbraw/zinc/34/02/12/750340212.db2.gz KNVDLBHKASMZPV-ZIAGYGMSSA-N 1 3 306.341 0.469 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CCCF)C[C@H]1O)c1ccn2cncc2c1 ZINC001077312029 750340224 /nfs/dbraw/zinc/34/02/24/750340224.db2.gz KNVDLBHKASMZPV-ZIAGYGMSSA-N 1 3 306.341 0.469 20 0 DCADHO CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366763 750371961 /nfs/dbraw/zinc/37/19/61/750371961.db2.gz YZSDWIYYAHIQQP-ZIAGYGMSSA-N 1 3 301.350 0.062 20 0 DCADHO CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001077366763 750371967 /nfs/dbraw/zinc/37/19/67/750371967.db2.gz YZSDWIYYAHIQQP-ZIAGYGMSSA-N 1 3 301.350 0.062 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCc1ccnn1C ZINC001089038622 750773387 /nfs/dbraw/zinc/77/33/87/750773387.db2.gz DWATVIYBUJEQKR-YCPHGPKFSA-N 1 3 319.453 0.493 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCc1ccnn1C ZINC001089038622 750773391 /nfs/dbraw/zinc/77/33/91/750773391.db2.gz DWATVIYBUJEQKR-YCPHGPKFSA-N 1 3 319.453 0.493 20 0 DCADHO CC(C)(C(=O)NCC[NH2+]CCNC(=O)C1CC1)N1CCCCC1 ZINC001127327569 751122026 /nfs/dbraw/zinc/12/20/26/751122026.db2.gz PXVOWAWVJHSMNP-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798603 751285156 /nfs/dbraw/zinc/28/51/56/751285156.db2.gz MMLYGDHPWRLHQH-OWCLPIDISA-N 1 3 311.470 0.783 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751117 752859141 /nfs/dbraw/zinc/85/91/41/752859141.db2.gz QODARBNXJSDCEN-QWHCGFSZSA-N 1 3 316.409 0.855 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCCC1 ZINC001044858558 752906148 /nfs/dbraw/zinc/90/61/48/752906148.db2.gz TXEUWWKLHNXAKJ-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccnn2C)CCC1 ZINC001045068043 753031784 /nfs/dbraw/zinc/03/17/84/753031784.db2.gz DIKHKLHQCCDZQW-HNNXBMFYSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CNCCO[C@@H]2CCCCO2)cnn1C ZINC001579530290 1165338504 /nfs/dbraw/zinc/33/85/04/1165338504.db2.gz STTDNZAULHGLLC-GDBMZVCRSA-N 1 3 310.442 0.979 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001078479300 753259681 /nfs/dbraw/zinc/25/96/81/753259681.db2.gz WNWAWJFULVGUGO-HIFRSBDPSA-N 1 3 322.409 0.196 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2)N1CCCC1 ZINC001078700021 753342885 /nfs/dbraw/zinc/34/28/85/753342885.db2.gz FLZDHVPTXXESPJ-STQMWFEESA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081282 753470404 /nfs/dbraw/zinc/47/04/04/753470404.db2.gz DBFQMDKDNFNRRJ-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081282 753470411 /nfs/dbraw/zinc/47/04/11/753470411.db2.gz DBFQMDKDNFNRRJ-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598752 754425463 /nfs/dbraw/zinc/42/54/63/754425463.db2.gz UTYAMRYXGSMKKA-IHRRRGAJSA-N 1 3 313.417 0.334 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001168755675 754426071 /nfs/dbraw/zinc/42/60/71/754426071.db2.gz PDAPPIZZJKQJTE-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001048475843 754768343 /nfs/dbraw/zinc/76/83/43/754768343.db2.gz OBMMVMGVWJWFMW-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)N1CCCCC1 ZINC001048820577 754959631 /nfs/dbraw/zinc/95/96/31/754959631.db2.gz LGLFUSVWFUYOPA-GASCZTMLSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)(C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)N1CCCCC1 ZINC001048820577 754959634 /nfs/dbraw/zinc/95/96/34/754959634.db2.gz LGLFUSVWFUYOPA-GASCZTMLSA-N 1 3 309.454 0.633 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862801 754985419 /nfs/dbraw/zinc/98/54/19/754985419.db2.gz AHKUWLOCCMKDHV-HNKHHVNMSA-N 1 3 309.454 0.752 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862801 754985422 /nfs/dbraw/zinc/98/54/22/754985422.db2.gz AHKUWLOCCMKDHV-HNKHHVNMSA-N 1 3 309.454 0.752 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763121 755099385 /nfs/dbraw/zinc/09/93/85/755099385.db2.gz KBKJKENMDXCSHR-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1)N(C)C ZINC001049066425 755100268 /nfs/dbraw/zinc/10/02/68/755100268.db2.gz HGHCVRMYIBBULL-XQLPTFJDSA-N 1 3 324.469 0.194 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1)N(C)C ZINC001049066425 755100271 /nfs/dbraw/zinc/10/02/71/755100271.db2.gz HGHCVRMYIBBULL-XQLPTFJDSA-N 1 3 324.469 0.194 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOC)C[C@@H]2C1 ZINC001049233736 755196539 /nfs/dbraw/zinc/19/65/39/755196539.db2.gz RRPRBUIBODIIEE-XHSDSOJGSA-N 1 3 309.454 0.897 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOC)C[C@@H]2C1 ZINC001049233736 755196540 /nfs/dbraw/zinc/19/65/40/755196540.db2.gz RRPRBUIBODIIEE-XHSDSOJGSA-N 1 3 309.454 0.897 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001168764280 755623824 /nfs/dbraw/zinc/62/38/24/755623824.db2.gz XGWSNWRFHCPPIA-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564272 755680920 /nfs/dbraw/zinc/68/09/20/755680920.db2.gz AWETXTZOADMNPM-PQIGMKOUSA-N 1 3 319.449 0.981 20 0 DCADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564272 755680924 /nfs/dbraw/zinc/68/09/24/755680924.db2.gz AWETXTZOADMNPM-PQIGMKOUSA-N 1 3 319.449 0.981 20 0 DCADHO CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564754 755681053 /nfs/dbraw/zinc/68/10/53/755681053.db2.gz QLHBBEMAYFXITE-HDWVQPOCSA-N 1 3 305.422 0.591 20 0 DCADHO CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564754 755681054 /nfs/dbraw/zinc/68/10/54/755681054.db2.gz QLHBBEMAYFXITE-HDWVQPOCSA-N 1 3 305.422 0.591 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001080445553 756216952 /nfs/dbraw/zinc/21/69/52/756216952.db2.gz DZAQZRHRVPNHFP-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1)C1CC1 ZINC001054144967 756383749 /nfs/dbraw/zinc/38/37/49/756383749.db2.gz GACXTWNYUMTASL-WBVHZDCISA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1)C1CC1 ZINC001054144967 756383752 /nfs/dbraw/zinc/38/37/52/756383752.db2.gz GACXTWNYUMTASL-WBVHZDCISA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1)N(C)C ZINC001054192283 756402774 /nfs/dbraw/zinc/40/27/74/756402774.db2.gz TXULXKAZGGUEBQ-NVXWUHKLSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1)N(C)C ZINC001054192283 756402777 /nfs/dbraw/zinc/40/27/77/756402777.db2.gz TXULXKAZGGUEBQ-NVXWUHKLSA-N 1 3 311.470 0.879 20 0 DCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066463 756916456 /nfs/dbraw/zinc/91/64/56/756916456.db2.gz SMNMFBODIJXSNA-ARLBYUKCSA-N 1 3 309.454 0.942 20 0 DCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066463 756916459 /nfs/dbraw/zinc/91/64/59/756916459.db2.gz SMNMFBODIJXSNA-ARLBYUKCSA-N 1 3 309.454 0.942 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001082320574 757042043 /nfs/dbraw/zinc/04/20/43/757042043.db2.gz ZUSJPBGLWWZERG-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653449 757215309 /nfs/dbraw/zinc/21/53/09/757215309.db2.gz LADQGSIMURIQJI-QVCPJDEESA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1cncn1C ZINC001082740759 757250865 /nfs/dbraw/zinc/25/08/65/757250865.db2.gz FOHOLFQXDXHJGN-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001082741918 757253407 /nfs/dbraw/zinc/25/34/07/757253407.db2.gz JZXSGFXLCXNUHK-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082783434 757264902 /nfs/dbraw/zinc/26/49/02/757264902.db2.gz YGEMVMMFEQMKGI-MCIONIFRSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082783434 757264911 /nfs/dbraw/zinc/26/49/11/757264911.db2.gz YGEMVMMFEQMKGI-MCIONIFRSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)C1 ZINC001084398507 757828851 /nfs/dbraw/zinc/82/88/51/757828851.db2.gz BPUDPBVUURYIOF-BRWVUGGUSA-N 1 3 323.481 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)C1 ZINC001084398507 757828864 /nfs/dbraw/zinc/82/88/64/757828864.db2.gz BPUDPBVUURYIOF-BRWVUGGUSA-N 1 3 323.481 0.879 20 0 DCADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532642 757894298 /nfs/dbraw/zinc/89/42/98/757894298.db2.gz HUHJTNGIDPBSLJ-YLADIXGZSA-N 1 3 319.449 0.792 20 0 DCADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532642 757894310 /nfs/dbraw/zinc/89/43/10/757894310.db2.gz HUHJTNGIDPBSLJ-YLADIXGZSA-N 1 3 319.449 0.792 20 0 DCADHO C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702134 757978575 /nfs/dbraw/zinc/97/85/75/757978575.db2.gz IXUKMXGZLBFPMR-FVQBIDKESA-N 1 3 309.454 0.632 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084953528 758134481 /nfs/dbraw/zinc/13/44/81/758134481.db2.gz SBTYQWHIQYWHQY-OAGGEKHMSA-N 1 3 309.454 0.776 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084953528 758134488 /nfs/dbraw/zinc/13/44/88/758134488.db2.gz SBTYQWHIQYWHQY-OAGGEKHMSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084953528 758134493 /nfs/dbraw/zinc/13/44/93/758134493.db2.gz SBTYQWHIQYWHQY-OAGGEKHMSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084953528 758134498 /nfs/dbraw/zinc/13/44/98/758134498.db2.gz SBTYQWHIQYWHQY-OAGGEKHMSA-N 1 3 309.454 0.776 20 0 DCADHO NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001085241563 758778161 /nfs/dbraw/zinc/77/81/61/758778161.db2.gz DCHDQBWRCQFIBC-ZIAGYGMSSA-N 1 3 322.453 0.365 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1)N(C)C ZINC001051680021 758855784 /nfs/dbraw/zinc/85/57/84/758855784.db2.gz JXYNHJVJLBPCHC-HZPDHXFCSA-N 1 3 320.437 0.739 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@H]1O ZINC001099987190 759123652 /nfs/dbraw/zinc/12/36/52/759123652.db2.gz WERXIZSIIKICQE-HZPDHXFCSA-N 1 3 309.454 0.990 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147823861 767852513 /nfs/dbraw/zinc/85/25/13/767852513.db2.gz FBBQMYSSWGKGBZ-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO COc1ccc(CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001147878105 767870957 /nfs/dbraw/zinc/87/09/57/767870957.db2.gz RXVADTORUCBMGQ-ZDUSSCGKSA-N 1 3 306.410 0.638 20 0 DCADHO COc1ccc(CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001147878105 767870965 /nfs/dbraw/zinc/87/09/65/767870965.db2.gz RXVADTORUCBMGQ-ZDUSSCGKSA-N 1 3 306.410 0.638 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878465 767872208 /nfs/dbraw/zinc/87/22/08/767872208.db2.gz ZKIBFLUXKZHMQA-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878465 767872214 /nfs/dbraw/zinc/87/22/14/767872214.db2.gz ZKIBFLUXKZHMQA-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001147884577 767872315 /nfs/dbraw/zinc/87/23/15/767872315.db2.gz FTOFIDRIGQVMRW-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001147884577 767872321 /nfs/dbraw/zinc/87/23/21/767872321.db2.gz FTOFIDRIGQVMRW-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1)C(N)=O ZINC001086084727 759694354 /nfs/dbraw/zinc/69/43/54/759694354.db2.gz CZCYUCHNPSUQRK-BARDWOONSA-N 1 3 324.469 0.608 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086364711 760106484 /nfs/dbraw/zinc/10/64/84/760106484.db2.gz NZWGSDUIHHUACJ-ZQDZILKHSA-N 1 3 322.453 0.232 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1)C(N)=O ZINC001086364419 760106713 /nfs/dbraw/zinc/10/67/13/760106713.db2.gz CZCYUCHNPSUQRK-AJNGGQMLSA-N 1 3 324.469 0.608 20 0 DCADHO COCCOCCN1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210928 767936459 /nfs/dbraw/zinc/93/64/59/767936459.db2.gz YBIXHSXXDOFZDB-UHFFFAOYSA-N 1 3 313.442 0.135 20 0 DCADHO Cc1nc(CC[NH3+])nn1-c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001168985458 760531020 /nfs/dbraw/zinc/53/10/20/760531020.db2.gz CHSBJEKMEYFWIU-ZDUSSCGKSA-N 1 3 313.409 0.676 20 0 DCADHO Cc1nccn1CCCNC(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC001123486625 767985869 /nfs/dbraw/zinc/98/58/69/767985869.db2.gz GMROKXQAJUTQEC-CQSZACIVSA-N 1 3 322.457 0.517 20 0 DCADHO Cc1nccn1CCCNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001123486625 767985873 /nfs/dbraw/zinc/98/58/73/767985873.db2.gz GMROKXQAJUTQEC-CQSZACIVSA-N 1 3 322.457 0.517 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363053 761045161 /nfs/dbraw/zinc/04/51/61/761045161.db2.gz DZYLVHOMYNSBSB-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831662 761069719 /nfs/dbraw/zinc/06/97/19/761069719.db2.gz HXFFKPZBAVXIHW-IHRRRGAJSA-N 1 3 310.442 0.042 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070209186 761136758 /nfs/dbraw/zinc/13/67/58/761136758.db2.gz QIAXDMONTINWHI-KGLIPLIRSA-N 1 3 320.441 0.514 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070213876 761137980 /nfs/dbraw/zinc/13/79/80/761137980.db2.gz ZQBRBKWASOVXPI-RDBSUJKOSA-N 1 3 308.430 0.226 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070268199 761158450 /nfs/dbraw/zinc/15/84/50/761158450.db2.gz BYFGANRORBMAIQ-QLFBSQMISA-N 1 3 322.457 0.616 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001148642925 768022971 /nfs/dbraw/zinc/02/29/71/768022971.db2.gz QPTCVXZSDWSNAB-CQSZACIVSA-N 1 3 301.431 0.230 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070534890 761297507 /nfs/dbraw/zinc/29/75/07/761297507.db2.gz SLQBFSRFVBSYEU-CFVMTHIKSA-N 1 3 307.442 0.664 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC001148651919 768024678 /nfs/dbraw/zinc/02/46/78/768024678.db2.gz RHGAJXPWWYQODX-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC001148651919 768024679 /nfs/dbraw/zinc/02/46/79/768024679.db2.gz RHGAJXPWWYQODX-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071416504 761832676 /nfs/dbraw/zinc/83/26/76/761832676.db2.gz URUIUISCOHXQIC-GFCCVEGCSA-N 1 3 307.398 0.011 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC(C)(C)CN2CCO)C1 ZINC001099310742 762860160 /nfs/dbraw/zinc/86/01/60/762860160.db2.gz ULBBWAFMVZNMRA-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC(C)(C)CN2CCO)C1 ZINC001099310742 762860166 /nfs/dbraw/zinc/86/01/66/762860166.db2.gz ULBBWAFMVZNMRA-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO Cc1cc(F)ccc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879131 770140025 /nfs/dbraw/zinc/14/00/25/770140025.db2.gz PNEPJBAYCIPQFU-UHFFFAOYSA-N 1 3 303.403 0.741 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001129437061 762944249 /nfs/dbraw/zinc/94/42/49/762944249.db2.gz VKEOHTMIVDTQPX-CZUORRHYSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1CC1 ZINC001129442446 762944947 /nfs/dbraw/zinc/94/49/47/762944947.db2.gz AEXHHAWRPAZJTD-WDEREUQCSA-N 1 3 311.348 0.346 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129855516 763024969 /nfs/dbraw/zinc/02/49/69/763024969.db2.gz GQQBSHJYKDVHFB-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129855516 763024972 /nfs/dbraw/zinc/02/49/72/763024972.db2.gz GQQBSHJYKDVHFB-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CN(C(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001130169818 763160289 /nfs/dbraw/zinc/16/02/89/763160289.db2.gz GVZDTCCNIGYIJG-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C)N(C)C ZINC001130200282 763183594 /nfs/dbraw/zinc/18/35/94/763183594.db2.gz HMSKCZIXCRRJNO-QWHCGFSZSA-N 1 3 300.447 0.193 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F)N(C)C ZINC001130201190 763184489 /nfs/dbraw/zinc/18/44/89/763184489.db2.gz XJQWXYAVSMEOJN-HUUCEWRRSA-N 1 3 311.401 0.905 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O)CC(C)(C)C ZINC001100013895 763218539 /nfs/dbraw/zinc/21/85/39/763218539.db2.gz VBCWTOORRIGACS-HUUCEWRRSA-N 1 3 311.470 0.926 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O)CC(C)(C)C ZINC001100013895 763218543 /nfs/dbraw/zinc/21/85/43/763218543.db2.gz VBCWTOORRIGACS-HUUCEWRRSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1nccnc1CNCCNC(=O)c1ccn2cncc2c1 ZINC001130874853 763548641 /nfs/dbraw/zinc/54/86/41/763548641.db2.gz QLSUOFCCDDCCBJ-UHFFFAOYSA-N 1 3 310.361 0.952 20 0 DCADHO Cc1nccnc1C[NH2+]CCNC(=O)c1ccn2cncc2c1 ZINC001130874853 763548645 /nfs/dbraw/zinc/54/86/45/763548645.db2.gz QLSUOFCCDDCCBJ-UHFFFAOYSA-N 1 3 310.361 0.952 20 0 DCADHO Cc1nccnc1CNCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874853 763548655 /nfs/dbraw/zinc/54/86/55/763548655.db2.gz QLSUOFCCDDCCBJ-UHFFFAOYSA-N 1 3 310.361 0.952 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCn2cccn2)C1)C1CC1 ZINC001100407031 763556212 /nfs/dbraw/zinc/55/62/12/763556212.db2.gz VDKFFSYHOOCGIO-AVVWSFFYSA-N 1 3 319.453 0.708 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001100442734 763581556 /nfs/dbraw/zinc/58/15/56/763581556.db2.gz TULKQWOFYPZZHF-PESDSKBTSA-N 1 3 307.442 0.745 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]C[C@H](O)COC)C1 ZINC001100460016 763590159 /nfs/dbraw/zinc/59/01/59/763590159.db2.gz LIDUAFFMKORCQA-RUXDESIVSA-N 1 3 315.458 0.208 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccnn3C)C2)C1 ZINC001100678755 763720824 /nfs/dbraw/zinc/72/08/24/763720824.db2.gz VVDUUMWHHXYXTM-WLYUNCDWSA-N 1 3 319.453 0.746 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683735 763722734 /nfs/dbraw/zinc/72/27/34/763722734.db2.gz PHFJNRDQFFMWSW-RUXDESIVSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001100771025 763776184 /nfs/dbraw/zinc/77/61/84/763776184.db2.gz VCYOMQVEBMXOLW-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NCC[NH2+]CCOC1CCC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520101 763843816 /nfs/dbraw/zinc/84/38/16/763843816.db2.gz UGLBWVLTQMNHSW-GNHJJJEISA-N 1 3 323.437 0.125 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC1 ZINC001131786164 764031021 /nfs/dbraw/zinc/03/10/21/764031021.db2.gz IAICTCUCFFXBRX-MRXNPFEDSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CN1CCO ZINC001132140573 764268849 /nfs/dbraw/zinc/26/88/49/764268849.db2.gz JFDSTRSDICUGCC-GJZGRUSLSA-N 1 3 320.437 0.869 20 0 DCADHO CCN1CCN(c2ccc(N3CC[NH2+]CC3)nn2)C(C)(C)C1 ZINC001158563135 764329913 /nfs/dbraw/zinc/32/99/13/764329913.db2.gz YVWYQIOXVIEDRU-UHFFFAOYSA-N 1 3 304.442 0.807 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132737422 764614142 /nfs/dbraw/zinc/61/41/42/764614142.db2.gz LXMWEBAVESEZIH-CQSZACIVSA-N 1 3 312.458 0.340 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132737422 764614145 /nfs/dbraw/zinc/61/41/45/764614145.db2.gz LXMWEBAVESEZIH-CQSZACIVSA-N 1 3 312.458 0.340 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102497296 764669525 /nfs/dbraw/zinc/66/95/25/764669525.db2.gz LAYISZRROXUBSX-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102497296 764669536 /nfs/dbraw/zinc/66/95/36/764669536.db2.gz LAYISZRROXUBSX-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998455 764772786 /nfs/dbraw/zinc/77/27/86/764772786.db2.gz ULLSPMSBQOIEGL-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994796 764782635 /nfs/dbraw/zinc/78/26/35/764782635.db2.gz BXWZQKCLKQLSRD-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040215 764798179 /nfs/dbraw/zinc/79/81/79/764798179.db2.gz GQWPWQYHWANISB-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291778 764909734 /nfs/dbraw/zinc/90/97/34/764909734.db2.gz ZYEOTMKHCNPCBQ-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCC[C@H](C)N1C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291777 764910066 /nfs/dbraw/zinc/91/00/66/764910066.db2.gz ZYEOTMKHCNPCBQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415968 764957445 /nfs/dbraw/zinc/95/74/45/764957445.db2.gz WYDLBPHPUHGXGV-UKRRQHHQSA-N 1 3 314.474 0.439 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)NCC(C)(C)C)[NH+](C)C ZINC001133433980 764968074 /nfs/dbraw/zinc/96/80/74/764968074.db2.gz GBSIZIUKEJUOMM-CQSZACIVSA-N 1 3 314.474 0.441 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133433990 764967729 /nfs/dbraw/zinc/96/77/29/764967729.db2.gz GMNZLFYIKJIDTM-OAHLLOKOSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396765 765047363 /nfs/dbraw/zinc/04/73/63/765047363.db2.gz ITALBKYYCGDARW-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001133830734 765160801 /nfs/dbraw/zinc/16/08/01/765160801.db2.gz CNLFYVSASNOEKQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001133830734 765160804 /nfs/dbraw/zinc/16/08/04/765160804.db2.gz CNLFYVSASNOEKQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133834476 765165012 /nfs/dbraw/zinc/16/50/12/765165012.db2.gz YWCGHAQDQFVJTH-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133834476 765165016 /nfs/dbraw/zinc/16/50/16/765165016.db2.gz YWCGHAQDQFVJTH-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN2CC[C@H](C)C2)n1 ZINC001133845317 765178805 /nfs/dbraw/zinc/17/88/05/765178805.db2.gz BBUOVKBPWREHEY-LBPRGKRZSA-N 1 3 309.414 0.358 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccc2nonc2c1 ZINC001133863901 765189873 /nfs/dbraw/zinc/18/98/73/765189873.db2.gz RDEKEKOEBKQOSL-WCQYABFASA-N 1 3 317.393 0.626 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccc2nonc2c1 ZINC001133863901 765189874 /nfs/dbraw/zinc/18/98/74/765189874.db2.gz RDEKEKOEBKQOSL-WCQYABFASA-N 1 3 317.393 0.626 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133866546 765190786 /nfs/dbraw/zinc/19/07/86/765190786.db2.gz MSQQCAJVFVFOIK-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133866546 765190793 /nfs/dbraw/zinc/19/07/93/765190793.db2.gz MSQQCAJVFVFOIK-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001133866778 765192803 /nfs/dbraw/zinc/19/28/03/765192803.db2.gz PGDOQKWDNSPGDS-ZFWWWQNUSA-N 1 3 319.453 0.551 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001133866778 765192807 /nfs/dbraw/zinc/19/28/07/765192807.db2.gz PGDOQKWDNSPGDS-ZFWWWQNUSA-N 1 3 319.453 0.551 20 0 DCADHO COCCOCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133906022 765220876 /nfs/dbraw/zinc/22/08/76/765220876.db2.gz NJHQNOVVOBBDRE-UHFFFAOYSA-N 1 3 303.447 0.333 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001134583369 765580855 /nfs/dbraw/zinc/58/08/55/765580855.db2.gz JSHAHWUGKAQASY-OLZOCXBDSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNCc1ccnn1C ZINC001134763181 765659346 /nfs/dbraw/zinc/65/93/46/765659346.db2.gz OTXVMVVHNDKBGZ-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNCc1ccnn1C ZINC001134763181 765659350 /nfs/dbraw/zinc/65/93/50/765659350.db2.gz OTXVMVVHNDKBGZ-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001134772405 765665191 /nfs/dbraw/zinc/66/51/91/765665191.db2.gz CVYPKVXITHMOLW-KBPBESRZSA-N 1 3 324.473 0.881 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115563462 765758444 /nfs/dbraw/zinc/75/84/44/765758444.db2.gz WEPAVAAMHKJUJG-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCCC1 ZINC001115571894 765760645 /nfs/dbraw/zinc/76/06/45/765760645.db2.gz TYDGDCOPMFDZSE-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093908 765800209 /nfs/dbraw/zinc/80/02/09/765800209.db2.gz VIUPHFDAXQGYIF-UKRRQHHQSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093908 765800218 /nfs/dbraw/zinc/80/02/18/765800218.db2.gz VIUPHFDAXQGYIF-UKRRQHHQSA-N 1 3 305.426 0.643 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135341436 765890697 /nfs/dbraw/zinc/89/06/97/765890697.db2.gz WGXYBRNGVKCBKI-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO COc1nccc(CN[C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001135371638 765907567 /nfs/dbraw/zinc/90/75/67/765907567.db2.gz HCIXBVQVCOANCX-CHWSQXEVSA-N 1 3 323.441 0.810 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(=O)N(C)C)C(C)C ZINC001135474046 765943283 /nfs/dbraw/zinc/94/32/83/765943283.db2.gz FMJKMHMAEGNKSS-CQSZACIVSA-N 1 3 300.447 0.147 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(=O)N1CCC1)C(C)C ZINC001135478264 765950028 /nfs/dbraw/zinc/95/00/28/765950028.db2.gz YVTDZDXIPIQYRU-HNNXBMFYSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCn1c(C)csc1=O ZINC001135513058 765965856 /nfs/dbraw/zinc/96/58/56/765965856.db2.gz FJRFLTQLZJQFCH-UHFFFAOYSA-N 1 3 314.455 0.266 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001135512971 765966322 /nfs/dbraw/zinc/96/63/22/765966322.db2.gz CHLGYXWHOZRTOF-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001135513233 765967622 /nfs/dbraw/zinc/96/76/22/765967622.db2.gz IDLXSEUWAYDXOW-ZDUSSCGKSA-N 1 3 300.447 0.289 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001135743328 766085353 /nfs/dbraw/zinc/08/53/53/766085353.db2.gz ISXCBBWKDIXENC-KGLIPLIRSA-N 1 3 314.474 0.726 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@H]1CCN(Cc2ccsc2)C[C@H]1O ZINC001090811576 766624433 /nfs/dbraw/zinc/62/44/33/766624433.db2.gz CEWMMCXFBDOVKL-LSDHHAIUSA-N 1 3 323.462 0.895 20 0 DCADHO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1O ZINC001090811576 766624437 /nfs/dbraw/zinc/62/44/37/766624437.db2.gz CEWMMCXFBDOVKL-LSDHHAIUSA-N 1 3 323.462 0.895 20 0 DCADHO O=C(CN1CCCC1)N[C@H]1CC[N@H+](Cc2ccsc2)C[C@H]1O ZINC001090811576 766624442 /nfs/dbraw/zinc/62/44/42/766624442.db2.gz CEWMMCXFBDOVKL-LSDHHAIUSA-N 1 3 323.462 0.895 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001119355327 766643604 /nfs/dbraw/zinc/64/36/04/766643604.db2.gz SIXQUGKLMLQGKU-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120422057 767006058 /nfs/dbraw/zinc/00/60/58/767006058.db2.gz IRLMJYFPCVOAPB-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C ZINC001146711505 767509570 /nfs/dbraw/zinc/50/95/70/767509570.db2.gz UCJTXTDKBJRORX-ZDUSSCGKSA-N 1 3 300.447 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C ZINC001146711505 767509571 /nfs/dbraw/zinc/50/95/71/767509571.db2.gz UCJTXTDKBJRORX-ZDUSSCGKSA-N 1 3 300.447 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC1CCCC1 ZINC001146710272 767509621 /nfs/dbraw/zinc/50/96/21/767509621.db2.gz IRHSRXKCHFKUIX-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC1CCCC1 ZINC001146710272 767509622 /nfs/dbraw/zinc/50/96/22/767509622.db2.gz IRHSRXKCHFKUIX-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC001122106930 767716009 /nfs/dbraw/zinc/71/60/09/767716009.db2.gz WDXSJUDVNQZPMR-MPXNVAGNSA-N 1 3 310.442 0.219 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)C[C@H]2C1 ZINC001161176954 768388548 /nfs/dbraw/zinc/38/85/48/768388548.db2.gz XYDKZPIHUFZMGD-AYDFFVQHSA-N 1 3 324.469 0.276 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)C[C@H]2C1 ZINC001161176954 768388556 /nfs/dbraw/zinc/38/85/56/768388556.db2.gz XYDKZPIHUFZMGD-AYDFFVQHSA-N 1 3 324.469 0.276 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001138769539 768436312 /nfs/dbraw/zinc/43/63/12/768436312.db2.gz RRSPYHKPPSUMPH-DOTOQJQBSA-N 1 3 308.422 0.802 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@H]1C[N@H+](CC2CC2)CCCO1)C1CC1 ZINC001149847340 768880938 /nfs/dbraw/zinc/88/09/38/768880938.db2.gz DAMWOSGQPUMRFI-JKSUJKDBSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](CC2CC2)CCCO1)C1CC1 ZINC001149847340 768880949 /nfs/dbraw/zinc/88/09/49/768880949.db2.gz DAMWOSGQPUMRFI-JKSUJKDBSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nccn1C ZINC001094220834 768889731 /nfs/dbraw/zinc/88/97/31/768889731.db2.gz YITUTRGHSINSBF-QLFBSQMISA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nccn1C ZINC001094220834 768889743 /nfs/dbraw/zinc/88/97/43/768889743.db2.gz YITUTRGHSINSBF-QLFBSQMISA-N 1 3 319.453 0.556 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C[C@H](C)O)CCCO1 ZINC001149936544 769122980 /nfs/dbraw/zinc/12/29/80/769122980.db2.gz IAFKBJMGGDUZLV-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C[C@H](C)O)CCCO1 ZINC001149936544 769122985 /nfs/dbraw/zinc/12/29/85/769122985.db2.gz IAFKBJMGGDUZLV-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074458 769252738 /nfs/dbraw/zinc/25/27/38/769252738.db2.gz ZDXRWTPMRJKTBY-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074458 769252744 /nfs/dbraw/zinc/25/27/44/769252744.db2.gz ZDXRWTPMRJKTBY-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCCNC(=O)CCC[NH+]1CCCCC1)C(=O)NC1CC1 ZINC001151362656 769322050 /nfs/dbraw/zinc/32/20/50/769322050.db2.gz ZTGDHXUMNQEZFF-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN2[C@@H](C)CC[C@@H]2C)n1 ZINC001152145874 769490480 /nfs/dbraw/zinc/49/04/80/769490480.db2.gz FTUPXALLMGACKZ-STQMWFEESA-N 1 3 323.441 0.889 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NCC1CC1 ZINC001152222672 769510064 /nfs/dbraw/zinc/51/00/64/769510064.db2.gz ANXRQWJBYYRFBV-UHFFFAOYSA-N 1 3 310.442 0.094 20 0 DCADHO CCNC(=O)CNCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393649 769546450 /nfs/dbraw/zinc/54/64/50/769546450.db2.gz SLOXCUFQFACYNX-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001152457083 769563954 /nfs/dbraw/zinc/56/39/54/769563954.db2.gz BBPUMVJJNAEBKL-CHWSQXEVSA-N 1 3 319.396 0.991 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)C[C@@H]1C(=O)OC ZINC001173586929 769684280 /nfs/dbraw/zinc/68/42/80/769684280.db2.gz WBTWVPFKQGHYKM-ZSOGYDGISA-N 1 3 324.421 0.755 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N2CCC3(C[NH+](C)C3)CC2)C[C@@H]1C(=O)OC ZINC001173586929 769684282 /nfs/dbraw/zinc/68/42/82/769684282.db2.gz WBTWVPFKQGHYKM-ZSOGYDGISA-N 1 3 324.421 0.755 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCn1cncn1)N(C)C ZINC001175304861 769886449 /nfs/dbraw/zinc/88/64/49/769886449.db2.gz MXTPATLNEQWDBE-CABCVRRESA-N 1 3 324.473 0.883 20 0 DCADHO N[C@@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@@H]1F ZINC001235893737 769960276 /nfs/dbraw/zinc/96/02/76/769960276.db2.gz RLEGGRZDSKSPKD-UONOGXRCSA-N 1 3 318.400 0.677 20 0 DCADHO [NH3+]C1CN([C@@H]2CCCN(Cc3nc4c(s3)CNCC4)C2)C1 ZINC001236080383 769979672 /nfs/dbraw/zinc/97/96/72/769979672.db2.gz WHTVWJLNKZYIJB-GFCCVEGCSA-N 1 3 307.467 0.396 20 0 DCADHO CN1CCN(C2CC[NH+](C3CCN(CCO)CC3)CC2)CC1 ZINC001236314403 769996730 /nfs/dbraw/zinc/99/67/30/769996730.db2.gz MAZWYTVPZKOTKH-UHFFFAOYSA-N 1 3 310.486 0.155 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001176350412 770091965 /nfs/dbraw/zinc/09/19/65/770091965.db2.gz DDOZBCRKCNOOTR-ZYHUDNBSSA-N 1 3 309.414 0.399 20 0 DCADHO C[C@@H](CCCCNCc1cn(C)nn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563304 770126447 /nfs/dbraw/zinc/12/64/47/770126447.db2.gz CALMYJSFXMAAFM-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H](CCCCNCc1cn(C)nn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563304 770126453 /nfs/dbraw/zinc/12/64/53/770126453.db2.gz CALMYJSFXMAAFM-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO NCCS(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001238834307 770134227 /nfs/dbraw/zinc/13/42/27/770134227.db2.gz LUEFAPJASNOHMZ-AWEZNQCLSA-N 1 3 315.414 0.745 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)Cc1ccccc1F ZINC001238879107 770140256 /nfs/dbraw/zinc/14/02/56/770140256.db2.gz OZOMTMASUSDXDQ-UHFFFAOYSA-N 1 3 303.403 0.574 20 0 DCADHO COc1ccc(CNC(=S)NCCC[NH2+]CCCN)cc1 ZINC001239396348 770215749 /nfs/dbraw/zinc/21/57/49/770215749.db2.gz FWEQMSNSLIQKRH-UHFFFAOYSA-N 1 3 310.467 0.988 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176986535 770273508 /nfs/dbraw/zinc/27/35/08/770273508.db2.gz QNPCCJPODVKXCZ-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176986537 770274386 /nfs/dbraw/zinc/27/43/86/770274386.db2.gz QNPCCJPODVKXCZ-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255599 770451351 /nfs/dbraw/zinc/45/13/51/770451351.db2.gz VMORFBATDKCWOB-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255599 770451353 /nfs/dbraw/zinc/45/13/53/770451353.db2.gz VMORFBATDKCWOB-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001178357143 770731505 /nfs/dbraw/zinc/73/15/05/770731505.db2.gz XDSDCXBSYSNFCL-QEJZJMRPSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001178356013 770732005 /nfs/dbraw/zinc/73/20/05/770732005.db2.gz GRPQWZRSRVXALB-AEGPPILISA-N 1 3 322.453 0.280 20 0 DCADHO Cc1nnc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001180265454 771089286 /nfs/dbraw/zinc/08/92/86/771089286.db2.gz SCBWKXHEYIZZTN-CQSZACIVSA-N 1 3 322.457 0.831 20 0 DCADHO Cc1nnc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001180265454 771089289 /nfs/dbraw/zinc/08/92/89/771089289.db2.gz SCBWKXHEYIZZTN-CQSZACIVSA-N 1 3 322.457 0.831 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001181652236 771326266 /nfs/dbraw/zinc/32/62/66/771326266.db2.gz KUAKITUOPWJCEP-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073014 771385678 /nfs/dbraw/zinc/38/56/78/771385678.db2.gz CXCOSLQWEIQMFL-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073014 771385682 /nfs/dbraw/zinc/38/56/82/771385682.db2.gz CXCOSLQWEIQMFL-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)CNCc1nccn1C ZINC001182486828 771503643 /nfs/dbraw/zinc/50/36/43/771503643.db2.gz WDDDYERQIJBCCW-RHSMWYFYSA-N 1 3 321.469 0.946 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001183038563 771596183 /nfs/dbraw/zinc/59/61/83/771596183.db2.gz CKDFFBNIHZLFQA-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001183038563 771596186 /nfs/dbraw/zinc/59/61/86/771596186.db2.gz CKDFFBNIHZLFQA-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001183228734 771621939 /nfs/dbraw/zinc/62/19/39/771621939.db2.gz RUAUXHOHQNWNFH-DVOMOZLQSA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)CCC1 ZINC001183230298 771622637 /nfs/dbraw/zinc/62/26/37/771622637.db2.gz WTVRODIVHUFBBX-CYBMUJFWSA-N 1 3 322.453 0.282 20 0 DCADHO N[C@H]1CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CC[NH2+]2)C[C@H]1F ZINC001157536420 771628195 /nfs/dbraw/zinc/62/81/95/771628195.db2.gz MCBRZHTWYAGLIY-OAGGEKHMSA-N 1 3 320.412 0.358 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1)N(C)C ZINC001183581926 771670838 /nfs/dbraw/zinc/67/08/38/771670838.db2.gz PLORZUWVYYQREH-VXGBXAGGSA-N 1 3 307.385 0.799 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)n1 ZINC001158036662 771716693 /nfs/dbraw/zinc/71/66/93/771716693.db2.gz FAIDLSKJEFYDFC-ZBFHGGJFSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)n1 ZINC001158036662 771716697 /nfs/dbraw/zinc/71/66/97/771716697.db2.gz FAIDLSKJEFYDFC-ZBFHGGJFSA-N 1 3 319.453 0.890 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167504 771732884 /nfs/dbraw/zinc/73/28/84/771732884.db2.gz KROIVBZGMHACJH-IXDOHACOSA-N 1 3 317.433 0.783 20 0 DCADHO Cn1cnc2c1ccnc2N1CCC([N@@H+]2CC[C@H](N)C2)CC1 ZINC001158259628 771748678 /nfs/dbraw/zinc/74/86/78/771748678.db2.gz TXMZRTVEIKCACN-LBPRGKRZSA-N 1 3 300.410 0.970 20 0 DCADHO Cn1cnc2c1ccnc2N1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001158259628 771748684 /nfs/dbraw/zinc/74/86/84/771748684.db2.gz TXMZRTVEIKCACN-LBPRGKRZSA-N 1 3 300.410 0.970 20 0 DCADHO [NH3+][C@@H]1CCN(C2CCN(c3cc4c(nn3)CCNC4)CC2)C1 ZINC001158262441 771749701 /nfs/dbraw/zinc/74/97/01/771749701.db2.gz SQQKCCRASZKQGV-CYBMUJFWSA-N 1 3 302.426 0.124 20 0 DCADHO C[C@@]1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CC[NH2+]C[C@@H]1O ZINC001158328209 771760583 /nfs/dbraw/zinc/76/05/83/771760583.db2.gz WMCQDZYTGGTLHO-UIBIWLFHSA-N 1 3 315.417 0.445 20 0 DCADHO CO[C@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)C1 ZINC001158334978 771760953 /nfs/dbraw/zinc/76/09/53/771760953.db2.gz KBAUQDTWIRWPHU-QSPRXWTASA-N 1 3 315.417 0.851 20 0 DCADHO CN1CCC(N(c2ncc3c(n2)CNC3)C2CC[NH2+]CC2)CC1 ZINC001158581458 771792323 /nfs/dbraw/zinc/79/23/23/771792323.db2.gz TXHMKAJBTYJOSY-UHFFFAOYSA-N 1 3 316.453 0.732 20 0 DCADHO [NH3+]C1([C@H]2CN(C(=O)c3ccc4c(n3)CCNC4)C[C@@H]2CF)CC1 ZINC001158584152 771792741 /nfs/dbraw/zinc/79/27/41/771792741.db2.gz YYKQDBKWKGCEPV-STQMWFEESA-N 1 3 318.396 0.876 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184806975 771823904 /nfs/dbraw/zinc/82/39/04/771823904.db2.gz NJBHIBWDPWKZOU-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCC[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001185264251 771894279 /nfs/dbraw/zinc/89/42/79/771894279.db2.gz DFHWXHYFVPTQCR-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400597 771911798 /nfs/dbraw/zinc/91/17/98/771911798.db2.gz DYUTWSRPBRFSMY-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCOC(=O)C1=C(Nc2ncc(C)c(C3C[NH2+]C3)n2)CCNC1 ZINC001159459477 771913597 /nfs/dbraw/zinc/91/35/97/771913597.db2.gz JZILLPBOBXDTKS-UHFFFAOYSA-N 1 3 317.393 0.694 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1)[NH+](CC)CC ZINC001185609255 771935362 /nfs/dbraw/zinc/93/53/62/771935362.db2.gz HLWWGGFFGJNTTC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@@H]2CCc3ncnn32)CCC1 ZINC001159860704 771969275 /nfs/dbraw/zinc/96/92/75/771969275.db2.gz CILHEAPKLSFXBQ-ZDUSSCGKSA-N 1 3 320.441 0.346 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NCC1CCC1)C1CC1 ZINC001159916272 771976356 /nfs/dbraw/zinc/97/63/56/771976356.db2.gz QGEJJWQATXDNRR-INIZCTEOSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1)C1CC1 ZINC001159916248 771976465 /nfs/dbraw/zinc/97/64/65/771976465.db2.gz PUAAZVXFDZLAEW-INIZCTEOSA-N 1 3 320.437 0.321 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC001185925881 771976859 /nfs/dbraw/zinc/97/68/59/771976859.db2.gz PZYSEWAWUIBORY-CQSZACIVSA-N 1 3 306.410 0.959 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F)C1CCC1 ZINC001159997134 771986718 /nfs/dbraw/zinc/98/67/18/771986718.db2.gz HMMZXXGHMPCUKE-CYBMUJFWSA-N 1 3 319.396 0.991 20 0 DCADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@H]21 ZINC001160085977 771996403 /nfs/dbraw/zinc/99/64/03/771996403.db2.gz SMPXTYXHZGRRLB-LJISPDSOSA-N 1 3 324.469 0.275 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCN1CCCC1=O)N(C)C ZINC001160425952 772035518 /nfs/dbraw/zinc/03/55/18/772035518.db2.gz AXILULICSKPAER-HNNXBMFYSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001186452513 772042359 /nfs/dbraw/zinc/04/23/59/772042359.db2.gz QOWFIXLDHZYJFG-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001186487083 772045758 /nfs/dbraw/zinc/04/57/58/772045758.db2.gz FOOJQDAKJGFMER-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001160477074 772046970 /nfs/dbraw/zinc/04/69/70/772046970.db2.gz SPSMITBSLMKOOW-CHWSQXEVSA-N 1 3 323.437 0.376 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(c2ccccn2)CC1 ZINC001160529992 772059088 /nfs/dbraw/zinc/05/90/88/772059088.db2.gz DJDSVYNQEPNZGE-CQSZACIVSA-N 1 3 300.406 0.597 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@H]1Cc1ccccn1 ZINC001160544167 772061641 /nfs/dbraw/zinc/06/16/41/772061641.db2.gz HLHBCXNTTUHZQP-GJZGRUSLSA-N 1 3 300.406 0.424 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001160687804 772094586 /nfs/dbraw/zinc/09/45/86/772094586.db2.gz IYMHQFSRMOYITM-CYBMUJFWSA-N 1 3 313.442 0.990 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160695262 772097310 /nfs/dbraw/zinc/09/73/10/772097310.db2.gz KBXBJXLUBKFUON-STQMWFEESA-N 1 3 313.442 0.764 20 0 DCADHO Cn1cnnc1C1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001160705835 772100257 /nfs/dbraw/zinc/10/02/57/772100257.db2.gz SRYCQFCEKXMVRK-AWEZNQCLSA-N 1 3 322.457 0.580 20 0 DCADHO O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CCN2CCC1CC2 ZINC001160725474 772103776 /nfs/dbraw/zinc/10/37/76/772103776.db2.gz ASQQVRTYOOUWKL-YOEHRIQHSA-N 1 3 307.438 0.842 20 0 DCADHO CCOC(=O)[C@]12CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+]CC2 ZINC001160806565 772113365 /nfs/dbraw/zinc/11/33/65/772113365.db2.gz VBKXPWWUEDCDQQ-CZUORRHYSA-N 1 3 311.426 0.328 20 0 DCADHO Cn1nncc1CNCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160833879 772118208 /nfs/dbraw/zinc/11/82/08/772118208.db2.gz BRPLHWGGXGJUSG-UHFFFAOYSA-N 1 3 320.441 0.287 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F)N(C)C ZINC001160889274 772132731 /nfs/dbraw/zinc/13/27/31/772132731.db2.gz GOIJCAYZHJETEH-NEPJUHHUSA-N 1 3 307.385 0.847 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC2)CC1 ZINC001160991470 772146417 /nfs/dbraw/zinc/14/64/17/772146417.db2.gz DOIWOFPWDZIOIT-ZSEKCTLFSA-N 1 3 315.483 0.417 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161082388 772163262 /nfs/dbraw/zinc/16/32/62/772163262.db2.gz ODIYBDHFXXYVSO-XGUBFFRZSA-N 1 3 324.469 0.417 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161082388 772163266 /nfs/dbraw/zinc/16/32/66/772163266.db2.gz ODIYBDHFXXYVSO-XGUBFFRZSA-N 1 3 324.469 0.417 20 0 DCADHO COCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203658853 772170738 /nfs/dbraw/zinc/17/07/38/772170738.db2.gz DUMUVJSICYLOHI-KGLIPLIRSA-N 1 3 306.410 0.924 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)Cc1ccccc1 ZINC001161161283 772178713 /nfs/dbraw/zinc/17/87/13/772178713.db2.gz QGJPXQXONLPBEN-YESZJQIVSA-N 1 3 316.449 0.527 20 0 DCADHO CN(C(=O)[C@@H](N)CCOCc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219997 772185559 /nfs/dbraw/zinc/18/55/59/772185559.db2.gz VGSYTKZBCCENLY-XUWVNRHRSA-N 1 3 303.406 0.597 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)C(C)(C)N(C)CC)C(N)=O ZINC001161226266 772187098 /nfs/dbraw/zinc/18/70/98/772187098.db2.gz APURZMOENYQLPW-ZDUSSCGKSA-N 1 3 314.474 0.857 20 0 DCADHO N[C@@]1(C(=O)N2CC[C@](F)(C[NH3+])C2)CCc2cc(F)ccc2C1 ZINC001161247130 772191354 /nfs/dbraw/zinc/19/13/54/772191354.db2.gz XNZLLISOQPAVKH-HOTGVXAUSA-N 1 3 309.360 0.911 20 0 DCADHO N[C@H](C(=O)N1CCC[C@H](Oc2ncccn2)C1)C1CC[NH2+]CC1 ZINC001161295084 772198385 /nfs/dbraw/zinc/19/83/85/772198385.db2.gz FPINCYKOAMAXRV-KBPBESRZSA-N 1 3 319.409 0.173 20 0 DCADHO [NH3+]C1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)CNC4)C2)CC1 ZINC001161381869 772214834 /nfs/dbraw/zinc/21/48/34/772214834.db2.gz QJURWGJYUBNUPJ-KRWDZBQOSA-N 1 3 314.433 0.927 20 0 DCADHO COc1cc(O[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)ccn1 ZINC001161393092 772216505 /nfs/dbraw/zinc/21/65/05/772216505.db2.gz DHTWQCJQXDJKCG-KGLIPLIRSA-N 1 3 322.409 0.526 20 0 DCADHO CN1CCC(N(C(=O)CN2CC[NH2+]CC2)C2CCCC2)CC1 ZINC001161453536 772225888 /nfs/dbraw/zinc/22/58/88/772225888.db2.gz IFKJZAHQMJNGQR-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO Cc1ccn2cc(CN(C)C(=O)[C@H](N)C3CC[NH2+]CC3)nc2c1 ZINC001161532370 772240478 /nfs/dbraw/zinc/24/04/78/772240478.db2.gz RJEYRTPRLCTNJF-MRXNPFEDSA-N 1 3 315.421 0.928 20 0 DCADHO COc1ccc2c(c1)CCN[C@H]2C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161546814 772242872 /nfs/dbraw/zinc/24/28/72/772242872.db2.gz DJIYGMQMOQBWCD-OAHLLOKOSA-N 1 3 301.390 0.846 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001188145713 772271859 /nfs/dbraw/zinc/27/18/59/772271859.db2.gz KQTLZDMODGJHJC-CQSZACIVSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)CC(=O)NCC1(COC)CC[NH+](CCO)CC1 ZINC001162539414 772389443 /nfs/dbraw/zinc/38/94/43/772389443.db2.gz SBIGZSGZWVDYSP-UHFFFAOYSA-N 1 3 315.458 0.165 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1ccc2c(n1)NC(=O)CO2 ZINC001163126523 772467874 /nfs/dbraw/zinc/46/78/74/772467874.db2.gz SDFFZESDAGCFPM-UHFFFAOYSA-N 1 3 306.370 0.691 20 0 DCADHO CN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@H]3CCCN3C)CC2)C1=O ZINC001163821224 772577226 /nfs/dbraw/zinc/57/72/26/772577226.db2.gz LYOUBOWLSJNEBO-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC(CNc2nncc3c2OCCN3C)([NH+](C)C)CC1 ZINC001164211010 772626270 /nfs/dbraw/zinc/62/62/70/772626270.db2.gz JDYFUOOUXLEPRT-UHFFFAOYSA-N 1 3 320.441 0.743 20 0 DCADHO CN(C)C1(CNc2nncc3c2OCCN3C)CC[NH+](C)CC1 ZINC001164211010 772626272 /nfs/dbraw/zinc/62/62/72/772626272.db2.gz JDYFUOOUXLEPRT-UHFFFAOYSA-N 1 3 320.441 0.743 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001205549518 772717930 /nfs/dbraw/zinc/71/79/30/772717930.db2.gz WNJPDFOZRYDVKH-GFCCVEGCSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165315826 772722593 /nfs/dbraw/zinc/72/25/93/772722593.db2.gz SCTNJGGIEWZTJI-LBPRGKRZSA-N 1 3 316.421 0.028 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001165501125 772743601 /nfs/dbraw/zinc/74/36/01/772743601.db2.gz AUKFXNJQWODMOK-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCOCCO)CC1)N(C)C ZINC001165718678 772757959 /nfs/dbraw/zinc/75/79/59/772757959.db2.gz NXQAKIAJPBJJFC-CQSZACIVSA-N 1 3 315.458 0.212 20 0 DCADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1ccc(F)cc1 ZINC001165794033 772763386 /nfs/dbraw/zinc/76/33/86/772763386.db2.gz ICECLQYOIAJUBW-UHFFFAOYSA-N 1 3 324.400 0.812 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C1CC1 ZINC001166627244 772831444 /nfs/dbraw/zinc/83/14/44/772831444.db2.gz SZCVWWTUMUFPBF-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633560 772831834 /nfs/dbraw/zinc/83/18/34/772831834.db2.gz HDQQDUDPQNWJTM-ZDUSSCGKSA-N 1 3 308.430 0.378 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001166634130 772832283 /nfs/dbraw/zinc/83/22/83/772832283.db2.gz OOWZHVBJIIYRSR-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001166633924 772832513 /nfs/dbraw/zinc/83/25/13/772832513.db2.gz OKPFEQYCJCSEGF-AWEZNQCLSA-N 1 3 320.437 0.466 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634855 772832752 /nfs/dbraw/zinc/83/27/52/772832752.db2.gz WCMSEEHNEUTWAR-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634852 772833069 /nfs/dbraw/zinc/83/30/69/772833069.db2.gz WCMSEEHNEUTWAR-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166692842 772842210 /nfs/dbraw/zinc/84/22/10/772842210.db2.gz QLGJAVKNGOHIMD-XJKSGUPXSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166692842 772842213 /nfs/dbraw/zinc/84/22/13/772842213.db2.gz QLGJAVKNGOHIMD-XJKSGUPXSA-N 1 3 319.453 0.623 20 0 DCADHO CC[C@@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001166744007 772854865 /nfs/dbraw/zinc/85/48/65/772854865.db2.gz CMWLHFAPPKXOLQ-GFCCVEGCSA-N 1 3 300.447 0.324 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1)N(C)C ZINC001166851785 772870666 /nfs/dbraw/zinc/87/06/66/772870666.db2.gz HCLVSMWPKFLEQK-JSGCOSHPSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1c(C)nnn1CC)N(C)C ZINC001166858080 772871400 /nfs/dbraw/zinc/87/14/00/772871400.db2.gz MOHNTSJRXZBBPK-ZDUSSCGKSA-N 1 3 310.446 0.543 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001192171377 772880061 /nfs/dbraw/zinc/88/00/61/772880061.db2.gz UYDXOYUFERZWTK-INIZCTEOSA-N 1 3 321.469 0.984 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192189514 772882445 /nfs/dbraw/zinc/88/24/45/772882445.db2.gz FNQVBTLSRUEXIZ-SOUVJXGZSA-N 1 3 315.458 0.113 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192189514 772882447 /nfs/dbraw/zinc/88/24/47/772882447.db2.gz FNQVBTLSRUEXIZ-SOUVJXGZSA-N 1 3 315.458 0.113 20 0 DCADHO NCc1cc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)ncn1 ZINC001166991698 772897922 /nfs/dbraw/zinc/89/79/22/772897922.db2.gz LBVTVWSCWGYHHQ-UHFFFAOYSA-N 1 3 309.377 0.684 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203520685 772911021 /nfs/dbraw/zinc/91/10/21/772911021.db2.gz HFLXVIDWJCQWJY-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N(C)C ZINC001204799238 772962508 /nfs/dbraw/zinc/96/25/08/772962508.db2.gz USPDZBUMHUSRHL-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cc(Br)n[nH]1 ZINC001193297628 773042156 /nfs/dbraw/zinc/04/21/56/773042156.db2.gz VAPVWHJJOZAYOL-UHFFFAOYSA-N 1 3 303.164 0.247 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001206273851 773060586 /nfs/dbraw/zinc/06/05/86/773060586.db2.gz AYHUETSHGQJHTC-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001206300901 773064763 /nfs/dbraw/zinc/06/47/63/773064763.db2.gz GBFLVFMLHGYQCV-UHFFFAOYSA-N 1 3 312.458 0.278 20 0 DCADHO CN(CCOCC(F)F)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194000693 773142989 /nfs/dbraw/zinc/14/29/89/773142989.db2.gz CXLDWLHVVXDMSI-STQMWFEESA-N 1 3 319.396 0.753 20 0 DCADHO CN(CCOCC(F)F)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194000693 773142991 /nfs/dbraw/zinc/14/29/91/773142991.db2.gz CXLDWLHVVXDMSI-STQMWFEESA-N 1 3 319.396 0.753 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001206952201 773146475 /nfs/dbraw/zinc/14/64/75/773146475.db2.gz CPKOFQAOWRIUHL-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001206953447 773146989 /nfs/dbraw/zinc/14/69/89/773146989.db2.gz LAPQOSFROBMPEQ-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001206953524 773147170 /nfs/dbraw/zinc/14/71/70/773147170.db2.gz PFLPXPDPVBUJOF-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687950 773270328 /nfs/dbraw/zinc/27/03/28/773270328.db2.gz KKYJAIHCEDRNFK-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063479 773391382 /nfs/dbraw/zinc/39/13/82/773391382.db2.gz OEJCZIZZMDWDRO-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208413951 773455756 /nfs/dbraw/zinc/45/57/56/773455756.db2.gz DVGIDXUPKZGNRL-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001208414794 773455871 /nfs/dbraw/zinc/45/58/71/773455871.db2.gz YATKXJUIQVJMQV-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001208414493 773455906 /nfs/dbraw/zinc/45/59/06/773455906.db2.gz RBHQVEWIKYFETG-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001208493334 773477839 /nfs/dbraw/zinc/47/78/39/773477839.db2.gz ZWJPBJSYMXJXFI-GDBMZVCRSA-N 1 3 321.469 0.834 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643352 773629505 /nfs/dbraw/zinc/62/95/05/773629505.db2.gz RYJJNUJZLJHHSY-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643354 773629834 /nfs/dbraw/zinc/62/98/34/773629834.db2.gz RYJJNUJZLJHHSY-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659285 773631742 /nfs/dbraw/zinc/63/17/42/773631742.db2.gz BDZNGPZYNQRZKW-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209659311 773631883 /nfs/dbraw/zinc/63/18/83/773631883.db2.gz BMFMPXMPUIBALP-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)C(C)C ZINC001210189396 773682963 /nfs/dbraw/zinc/68/29/63/773682963.db2.gz DVPOFKLDJJUSPL-UKRRQHHQSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001210218921 773685854 /nfs/dbraw/zinc/68/58/54/773685854.db2.gz RGSSECWQDTYLET-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001210782925 773737403 /nfs/dbraw/zinc/73/74/03/773737403.db2.gz QDNQRLHQPOBVCI-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001210812019 773742094 /nfs/dbraw/zinc/74/20/94/773742094.db2.gz SQFVYYGLSBESJM-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152340545 773758708 /nfs/dbraw/zinc/75/87/08/773758708.db2.gz RMKNBRZNLOXQFC-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCOC(=O)[C@H]1CNCCN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001211362619 773795072 /nfs/dbraw/zinc/79/50/72/773795072.db2.gz NUKXQZMVAAEMCE-CYBMUJFWSA-N 1 3 309.435 0.731 20 0 DCADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197956115 773829186 /nfs/dbraw/zinc/82/91/86/773829186.db2.gz VKYQYDFHEKTIFO-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1OC ZINC001213678314 773874576 /nfs/dbraw/zinc/87/45/76/773874576.db2.gz OSOKTODEKGBARI-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1OC ZINC001213678314 773874582 /nfs/dbraw/zinc/87/45/82/773874582.db2.gz OSOKTODEKGBARI-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccn(C2CCC2)c(=O)c1 ZINC001198759267 773976114 /nfs/dbraw/zinc/97/61/14/773976114.db2.gz FAWOGIAFYZCUOG-UHFFFAOYSA-N 1 3 305.382 0.648 20 0 DCADHO COCCOc1cncc(C(=O)N(CCCC[NH3+])C(=N)N)c1 ZINC001198997244 774015576 /nfs/dbraw/zinc/01/55/76/774015576.db2.gz XNQIMQISCKCEDJ-UHFFFAOYSA-N 1 3 309.370 0.181 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458601 774073422 /nfs/dbraw/zinc/07/34/22/774073422.db2.gz ATTNTESOPNLKHN-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001216002731 774099108 /nfs/dbraw/zinc/09/91/08/774099108.db2.gz ZWTZIPJVILEIEK-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)C1=O ZINC001216226467 774109767 /nfs/dbraw/zinc/10/97/67/774109767.db2.gz VHAYKJAIMFOOON-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)C1=O ZINC001216226467 774109774 /nfs/dbraw/zinc/10/97/74/774109774.db2.gz VHAYKJAIMFOOON-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001216511208 774120041 /nfs/dbraw/zinc/12/00/41/774120041.db2.gz MWILNLKKMRVZHT-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001216511369 774120167 /nfs/dbraw/zinc/12/01/67/774120167.db2.gz PRPFXOAETGFOMV-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C)C(N)=O ZINC001216773028 774135899 /nfs/dbraw/zinc/13/58/99/774135899.db2.gz VTLPREDYIZTYHS-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001216844548 774142631 /nfs/dbraw/zinc/14/26/31/774142631.db2.gz DUWGOOSAMJYBKQ-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2CCC[NH2+]C2)c1 ZINC001217965955 774207164 /nfs/dbraw/zinc/20/71/64/774207164.db2.gz UUUBPZAUZXLLTG-OLZOCXBDSA-N 1 3 307.394 0.481 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218445775 774226267 /nfs/dbraw/zinc/22/62/67/774226267.db2.gz BJVPHSPOQLRFON-OQMKEHIESA-N 1 3 319.405 0.479 20 0 DCADHO COc1ccc2[nH]c(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)nc2c1 ZINC001218522037 774236324 /nfs/dbraw/zinc/23/63/24/774236324.db2.gz XUMDRECJFOMMPO-QLJPJBMISA-N 1 3 315.377 0.709 20 0 DCADHO N[C@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)C1CCC(O)CC1 ZINC001218531831 774239174 /nfs/dbraw/zinc/23/91/74/774239174.db2.gz BHLPMQYFNIYJRW-SCZOVPDESA-N 1 3 324.450 0.776 20 0 DCADHO N[C@H](C(=O)Nc1cnc(C(F)(F)F)nc1)C1CC[NH2+]CC1 ZINC001218584511 774256228 /nfs/dbraw/zinc/25/62/28/774256228.db2.gz CNCFBXGAZAGUIM-VIFPVBQESA-N 1 3 303.288 0.761 20 0 DCADHO O=C(Nc1cc([C@H]2CCCN2)no1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001218710233 774285601 /nfs/dbraw/zinc/28/56/01/774285601.db2.gz DEDRWCLLNDXIDE-YMTOWFKASA-N 1 3 305.338 0.546 20 0 DCADHO C[NH2+][C@@H]1CCCN(CC(=O)Nc2cc([C@H]3CCCN3)no2)C1 ZINC001218709741 774285655 /nfs/dbraw/zinc/28/56/55/774285655.db2.gz AADPZPCKGPTQMA-VXGBXAGGSA-N 1 3 307.398 0.721 20 0 DCADHO CO[C@H]1CCN[C@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218731684 774290999 /nfs/dbraw/zinc/29/09/99/774290999.db2.gz RNEZTYYPZQOCJS-MJBXVCDLSA-N 1 3 320.393 0.528 20 0 DCADHO O=C(Nc1cncnc1C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218763360 774299832 /nfs/dbraw/zinc/29/98/32/774299832.db2.gz JJDFGITXRGHNSC-PRHODGIISA-N 1 3 315.299 0.633 20 0 DCADHO COC(=O)/C=C/c1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)nc1 ZINC001218801378 774306385 /nfs/dbraw/zinc/30/63/85/774306385.db2.gz FOWYKXLNDTZVJR-SJDLMVEWSA-N 1 3 318.377 0.533 20 0 DCADHO O=C(Nc1ccc2[nH][nH]c(=O)c2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218875554 774318670 /nfs/dbraw/zinc/31/86/70/774318670.db2.gz SZOWEPLJVKJKPE-RFAUZJTJSA-N 1 3 301.350 0.406 20 0 DCADHO COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218883146 774320629 /nfs/dbraw/zinc/32/06/29/774320629.db2.gz JNCFQHYTIYVGDG-VIFPVBQESA-N 1 3 311.338 0.192 20 0 DCADHO COc1cc2c(cc1NC(=O)[C@H](N)CCC[NH3+])N(C(C)=O)CC2 ZINC001218986911 774340836 /nfs/dbraw/zinc/34/08/36/774340836.db2.gz FTYJHRJNISQAQN-GFCCVEGCSA-N 1 3 320.393 0.609 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(-n2ccccc2=O)cc1 ZINC001219016729 774347872 /nfs/dbraw/zinc/34/78/72/774347872.db2.gz LRCFDORCHVXGGM-AWEZNQCLSA-N 1 3 300.362 0.842 20 0 DCADHO C[NH+](C)C[C@H]1CN(C(=S)NCCN2CCCCC2)CCO1 ZINC001200422596 774349027 /nfs/dbraw/zinc/34/90/27/774349027.db2.gz YVKUNGKVYRYBMI-AWEZNQCLSA-N 1 3 314.499 0.609 20 0 DCADHO C[C@@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]C[C@@H]1O ZINC001219027949 774350023 /nfs/dbraw/zinc/35/00/23/774350023.db2.gz JCDMBYGYHBAPSY-GOEBONIOSA-N 1 3 305.378 0.468 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCOCCO)CC1)N(C)C ZINC001201149728 774455066 /nfs/dbraw/zinc/45/50/66/774455066.db2.gz IMOUPFCYQXDEFY-HNNXBMFYSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CCCOC)C1 ZINC001201678446 774535702 /nfs/dbraw/zinc/53/57/02/774535702.db2.gz IXZWIRRBNIPNPW-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643277 774570307 /nfs/dbraw/zinc/57/03/07/774570307.db2.gz NSCDBSCJSRNQFS-BBWFWOEESA-N 1 3 323.481 0.926 20 0 DCADHO C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1nc2ccccc2[nH]1 ZINC001219701841 774584188 /nfs/dbraw/zinc/58/41/88/774584188.db2.gz RNIPJELGVPXZFW-ZJUUUORDSA-N 1 3 307.423 0.759 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@@H]1O ZINC001219724713 774593204 /nfs/dbraw/zinc/59/32/04/774593204.db2.gz YGYMAARWTQSZOI-KFWWJZLASA-N 1 3 317.449 0.874 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@@H]1O ZINC001219724713 774593208 /nfs/dbraw/zinc/59/32/08/774593208.db2.gz YGYMAARWTQSZOI-KFWWJZLASA-N 1 3 317.449 0.874 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769241 774602768 /nfs/dbraw/zinc/60/27/68/774602768.db2.gz URSZRYYFENRPCY-SLEUVZQESA-N 1 3 316.421 0.072 20 0 DCADHO NC1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)Cc2ccccc2C1 ZINC001219848412 774627404 /nfs/dbraw/zinc/62/74/04/774627404.db2.gz YOPYCTNZQACMIJ-SOUVJXGZSA-N 1 3 301.390 0.118 20 0 DCADHO Cc1nccnc1CNC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202330893 774637050 /nfs/dbraw/zinc/63/70/50/774637050.db2.gz KKGUZGCBNJGDSP-UHFFFAOYSA-N 1 3 305.426 0.817 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219889970 774638139 /nfs/dbraw/zinc/63/81/39/774638139.db2.gz CXTNXARTVNTILZ-KGLIPLIRSA-N 1 3 320.437 0.820 20 0 DCADHO COc1cc(CCNC(=O)[C@H](N)C2CC[NH2+]CC2)cc(OC)c1 ZINC001219908125 774643389 /nfs/dbraw/zinc/64/33/89/774643389.db2.gz SETRBPFCQJTOLK-MRXNPFEDSA-N 1 3 321.421 0.689 20 0 DCADHO NC(=O)c1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001219961430 774656847 /nfs/dbraw/zinc/65/68/47/774656847.db2.gz KJTKVOPQSPFYCE-CQSZACIVSA-N 1 3 316.405 0.276 20 0 DCADHO NC(=O)c1ccc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001219961430 774656850 /nfs/dbraw/zinc/65/68/50/774656850.db2.gz KJTKVOPQSPFYCE-CQSZACIVSA-N 1 3 316.405 0.276 20 0 DCADHO N[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]C1 ZINC001219999355 774664488 /nfs/dbraw/zinc/66/44/88/774664488.db2.gz QQJBZXIKJMPOKL-NVXWUHKLSA-N 1 3 302.422 0.631 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219999238 774664647 /nfs/dbraw/zinc/66/46/47/774664647.db2.gz NWVZKGGXDGJUIJ-OAGGEKHMSA-N 1 3 303.406 0.520 20 0 DCADHO COC(=O)C1(NC(=O)c2cc3c(s2)CNCC3)CC[NH2+]CC1 ZINC001220003746 774665706 /nfs/dbraw/zinc/66/57/06/774665706.db2.gz ULIINXIDFYVFHD-UHFFFAOYSA-N 1 3 323.418 0.419 20 0 DCADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC001202487343 774696697 /nfs/dbraw/zinc/69/66/97/774696697.db2.gz SLLHUBXFHDASBC-WCVJEAGWSA-N 1 3 305.426 0.709 20 0 DCADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC001202487343 774696699 /nfs/dbraw/zinc/69/66/99/774696699.db2.gz SLLHUBXFHDASBC-WCVJEAGWSA-N 1 3 305.426 0.709 20 0 DCADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1[nH]nc2c1CCNC2 ZINC001220166099 774716977 /nfs/dbraw/zinc/71/69/77/774716977.db2.gz AFTFOYREVSWNIO-BDJLRTHQSA-N 1 3 303.410 0.708 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496533 774728539 /nfs/dbraw/zinc/72/85/39/774728539.db2.gz UVFOJEWNNRJFFG-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO COc1cccc2c1CC[C@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001220215205 774737125 /nfs/dbraw/zinc/73/71/25/774737125.db2.gz NCMFGFLJNIKOIK-ZFWWWQNUSA-N 1 3 315.417 0.478 20 0 DCADHO COCCn1cncc1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220274922 774753500 /nfs/dbraw/zinc/75/35/00/774753500.db2.gz ROVJNRDNHVKUKU-CQSZACIVSA-N 1 3 321.425 0.020 20 0 DCADHO COCCn1cncc1CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220274922 774753504 /nfs/dbraw/zinc/75/35/04/774753504.db2.gz ROVJNRDNHVKUKU-CQSZACIVSA-N 1 3 321.425 0.020 20 0 DCADHO NCc1ccc2c(n1)N(C(=O)CNC1CC[NH2+]CC1)CCC2 ZINC001220377343 774787307 /nfs/dbraw/zinc/78/73/07/774787307.db2.gz TWWOBDPWIVNWGY-UHFFFAOYSA-N 1 3 303.410 0.161 20 0 DCADHO CCCN1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387998 774791374 /nfs/dbraw/zinc/79/13/74/774791374.db2.gz XMLGMXGNSMAOFB-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO Cn1cc(-c2cc(CNC(=O)[C@H](N)CCC[NH3+])ccn2)cn1 ZINC001220451101 774812413 /nfs/dbraw/zinc/81/24/13/774812413.db2.gz IVNCGGHYIXAVBC-CYBMUJFWSA-N 1 3 302.382 0.165 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220501632 774828808 /nfs/dbraw/zinc/82/88/08/774828808.db2.gz RURDEGBUVSSMLW-QEJZJMRPSA-N 1 3 320.437 0.681 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21)C1CCC1 ZINC001114412511 774849258 /nfs/dbraw/zinc/84/92/58/774849258.db2.gz ZFDKJDLKNQNIMU-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21)C1CCC1 ZINC001114412511 774849265 /nfs/dbraw/zinc/84/92/65/774849265.db2.gz ZFDKJDLKNQNIMU-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO O=C(N[C@H]1CCc2ccc(O)cc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220592102 774858183 /nfs/dbraw/zinc/85/81/83/774858183.db2.gz FFQVSRVPJJHMRS-RVKKMQEKSA-N 1 3 315.417 0.565 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202527083 774866140 /nfs/dbraw/zinc/86/61/40/774866140.db2.gz WTQRJYQQBDWFKZ-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21)N(C)C ZINC001114464453 774883022 /nfs/dbraw/zinc/88/30/22/774883022.db2.gz UPROSFUZWMVEHH-QXSJWSMHSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21)N(C)C ZINC001114464453 774883029 /nfs/dbraw/zinc/88/30/29/774883029.db2.gz UPROSFUZWMVEHH-QXSJWSMHSA-N 1 3 309.454 0.942 20 0 DCADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001220678497 774885848 /nfs/dbraw/zinc/88/58/48/774885848.db2.gz BKGSACRYUPQAOM-DEQQHWRFSA-N 1 3 307.438 0.934 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC001220681167 774887747 /nfs/dbraw/zinc/88/77/47/774887747.db2.gz XYARQGKKNKIZOG-DGAVXFQQSA-N 1 3 308.426 0.116 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001202532464 774889316 /nfs/dbraw/zinc/88/93/16/774889316.db2.gz YOSFADJWRADWCH-WFASDCNBSA-N 1 3 324.469 0.574 20 0 DCADHO O=C(NCCO[C@H]1CCCCO1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220862097 774937735 /nfs/dbraw/zinc/93/77/35/774937735.db2.gz PKUKGPBHSJGGRC-KGLIPLIRSA-N 1 3 311.426 0.520 20 0 DCADHO O=C(NCCO[C@H]1CCCCO1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220862097 774937738 /nfs/dbraw/zinc/93/77/38/774937738.db2.gz PKUKGPBHSJGGRC-KGLIPLIRSA-N 1 3 311.426 0.520 20 0 DCADHO O=C(NCCO[C@@H]1CCCCO1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220862098 774938222 /nfs/dbraw/zinc/93/82/22/774938222.db2.gz PKUKGPBHSJGGRC-UONOGXRCSA-N 1 3 311.426 0.520 20 0 DCADHO O=C(NCCO[C@@H]1CCCCO1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220862098 774938223 /nfs/dbraw/zinc/93/82/23/774938223.db2.gz PKUKGPBHSJGGRC-UONOGXRCSA-N 1 3 311.426 0.520 20 0 DCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220887021 774944280 /nfs/dbraw/zinc/94/42/80/774944280.db2.gz RUMBVXVEFYXCLO-HUUCEWRRSA-N 1 3 319.405 0.706 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001220896578 774947312 /nfs/dbraw/zinc/94/73/12/774947312.db2.gz QMGKKCBNDXMBEF-HZPDHXFCSA-N 1 3 303.406 0.735 20 0 DCADHO Cc1noc(C2(NC(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)CC2)n1 ZINC001220933111 774956191 /nfs/dbraw/zinc/95/61/91/774956191.db2.gz WCDZKEKSIVIEPX-NSHDSACASA-N 1 3 305.382 0.358 20 0 DCADHO Cc1noc(C2(NC(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)CC2)n1 ZINC001220933111 774956197 /nfs/dbraw/zinc/95/61/97/774956197.db2.gz WCDZKEKSIVIEPX-NSHDSACASA-N 1 3 305.382 0.358 20 0 DCADHO O=C(N[C@H]1CCCc2nccnc21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220949243 774959412 /nfs/dbraw/zinc/95/94/12/774959412.db2.gz WEOGYQQVYXWWSY-UONOGXRCSA-N 1 3 315.421 0.844 20 0 DCADHO O=C(N[C@H]1CCCc2nccnc21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220949243 774959417 /nfs/dbraw/zinc/95/94/17/774959417.db2.gz WEOGYQQVYXWWSY-UONOGXRCSA-N 1 3 315.421 0.844 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)C1 ZINC001220976444 774967733 /nfs/dbraw/zinc/96/77/33/774967733.db2.gz ZQWLTUGDUDMKAJ-MJBXVCDLSA-N 1 3 301.406 0.239 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)C1 ZINC001220976444 774967737 /nfs/dbraw/zinc/96/77/37/774967737.db2.gz ZQWLTUGDUDMKAJ-MJBXVCDLSA-N 1 3 301.406 0.239 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccn(CC(F)(F)F)c(=O)c1 ZINC001220988758 774971563 /nfs/dbraw/zinc/97/15/63/774971563.db2.gz UWNJEYLXYBJALY-VIFPVBQESA-N 1 3 306.288 0.415 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001221156057 775010072 /nfs/dbraw/zinc/01/00/72/775010072.db2.gz WWNMLPVJIRZAKD-CQSZACIVSA-N 1 3 319.409 0.289 20 0 DCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)c1csc2c1CCNC2 ZINC001221190047 775021335 /nfs/dbraw/zinc/02/13/35/775021335.db2.gz AVWGZTFJGHGWJG-NSHDSACASA-N 1 3 311.407 0.404 20 0 DCADHO COc1cccnc1[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001221215798 775029260 /nfs/dbraw/zinc/02/92/60/775029260.db2.gz VBQHJGYHDAVASN-HUUCEWRRSA-N 1 3 318.421 0.984 20 0 DCADHO NCc1ccc(C(=O)N2CCC(C3=CC=C(N)C[NH2+]3)CC2)cn1 ZINC001221393169 775084785 /nfs/dbraw/zinc/08/47/85/775084785.db2.gz XUODMDZMTNTQHY-UHFFFAOYSA-N 1 3 313.405 0.722 20 0 DCADHO COc1cnccc1[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221410657 775093196 /nfs/dbraw/zinc/09/31/96/775093196.db2.gz WSTLHICLIZGOGS-ZFWWWQNUSA-N 1 3 316.405 0.467 20 0 DCADHO c1c(CN2CCOC[C@@]3(CNCCO3)C2)sc2c1CC[NH2+]C2 ZINC001222190588 775295552 /nfs/dbraw/zinc/29/55/52/775295552.db2.gz CKJNUWKYQLDLLI-MRXNPFEDSA-N 1 3 323.462 0.585 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC001225080522 775640216 /nfs/dbraw/zinc/64/02/16/775640216.db2.gz UJJJPAKUVOZZCC-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC001225080522 775640225 /nfs/dbraw/zinc/64/02/25/775640225.db2.gz UJJJPAKUVOZZCC-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281566 775703990 /nfs/dbraw/zinc/70/39/90/775703990.db2.gz YDHQOVIEUPVYHU-KFWWJZLASA-N 1 3 313.442 0.323 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226775608 775876740 /nfs/dbraw/zinc/87/67/40/775876740.db2.gz UCIQWWMIMHCFKQ-UMVBOHGHSA-N 1 3 310.442 0.090 20 0 DCADHO CCN(CC)CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001229664209 776209866 /nfs/dbraw/zinc/20/98/66/776209866.db2.gz KDZVAPIYIXEQQF-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC)C(N)=O ZINC001229868734 776231740 /nfs/dbraw/zinc/23/17/40/776231740.db2.gz LVZFTFXHJGCAIO-BFHYXJOUSA-N 1 3 312.458 0.609 20 0 DCADHO CCCN(C)CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001230105487 776252922 /nfs/dbraw/zinc/25/29/22/776252922.db2.gz QRSUDAOIAVRULM-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001230367327 776287182 /nfs/dbraw/zinc/28/71/82/776287182.db2.gz VRDUJWAAGFQRIY-UHFFFAOYSA-N 1 3 307.442 0.804 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC001041713223 777443346 /nfs/dbraw/zinc/44/33/46/777443346.db2.gz FXKITVLKXYARAQ-YOEHRIQHSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC001041713223 777443347 /nfs/dbraw/zinc/44/33/47/777443347.db2.gz FXKITVLKXYARAQ-YOEHRIQHSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(N1CC[C@H]2CCN(CCO)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001042132081 777722494 /nfs/dbraw/zinc/72/24/94/777722494.db2.gz CYSUSTGHWIKUDE-CABCVRRESA-N 1 3 307.438 0.530 20 0 DCADHO CN1CC2(C1)CCOC[C@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001278090199 945131192 /nfs/dbraw/zinc/13/11/92/945131192.db2.gz KHAGOSQDGFDSLV-AWEZNQCLSA-N 1 3 321.425 0.352 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNCC(=O)N(C)C1CC1)[NH+](C)C ZINC001317652174 945145566 /nfs/dbraw/zinc/14/55/66/945145566.db2.gz FMQNCFZEZKFHHM-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001278192250 945174046 /nfs/dbraw/zinc/17/40/46/945174046.db2.gz YRQRNQXXQQTULR-JJXSEGSLSA-N 1 3 309.454 0.821 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001266699624 939213599 /nfs/dbraw/zinc/21/35/99/939213599.db2.gz JWMVEBNLGRELMY-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001266699624 939213601 /nfs/dbraw/zinc/21/36/01/939213601.db2.gz JWMVEBNLGRELMY-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CCC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001414157952 939362109 /nfs/dbraw/zinc/36/21/09/939362109.db2.gz LJIKWVJORSFYAB-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267181459 939374791 /nfs/dbraw/zinc/37/47/91/939374791.db2.gz KBDSEGVPJQDPEB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267181459 939374793 /nfs/dbraw/zinc/37/47/93/939374793.db2.gz KBDSEGVPJQDPEB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCNCC(=O)NC(C)(C)C ZINC001267451195 939458740 /nfs/dbraw/zinc/45/87/40/939458740.db2.gz ABEIFYGZYBUJIL-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCNCC(=O)NC(C)(C)C ZINC001267451195 939458741 /nfs/dbraw/zinc/45/87/41/939458741.db2.gz ABEIFYGZYBUJIL-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001496239319 939520185 /nfs/dbraw/zinc/52/01/85/939520185.db2.gz RBXYADVVMVBETD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)CC(F)(F)F)C(=O)[C@H]1CCCN1C ZINC001481215538 939641985 /nfs/dbraw/zinc/64/19/85/939641985.db2.gz KKOXCRLNWLULHT-WDEREUQCSA-N 1 3 311.348 0.442 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001414184960 939685657 /nfs/dbraw/zinc/68/56/57/939685657.db2.gz UITXQQKPEVCZOY-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001414184960 939685659 /nfs/dbraw/zinc/68/56/59/939685659.db2.gz UITXQQKPEVCZOY-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC(=O)NC)CC1)N(C)C ZINC001267916154 939704589 /nfs/dbraw/zinc/70/45/89/939704589.db2.gz XGWKGZGXDABSFC-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001273123001 945278374 /nfs/dbraw/zinc/27/83/74/945278374.db2.gz MCGXUZZURROOMS-UKRRQHHQSA-N 1 3 322.453 0.710 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC2CN(CCCO)C2)CCCCC1 ZINC001481637186 939988310 /nfs/dbraw/zinc/98/83/10/939988310.db2.gz WHTYEZRNQWIRJL-UHFFFAOYSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001268399866 940105211 /nfs/dbraw/zinc/10/52/11/940105211.db2.gz NCXZPBHRXRZOJG-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001268415690 940114667 /nfs/dbraw/zinc/11/46/67/940114667.db2.gz QRJZALPPAZZFIT-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cncn1C ZINC001481819507 940149379 /nfs/dbraw/zinc/14/93/79/940149379.db2.gz XWEKPJDCBNNVBW-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001481882126 940170154 /nfs/dbraw/zinc/17/01/54/940170154.db2.gz PKOUFEYPITXMJR-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1)N(C)C ZINC001482006855 940205417 /nfs/dbraw/zinc/20/54/17/940205417.db2.gz JYFREKLZSHCALO-OAHLLOKOSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001482016561 940206198 /nfs/dbraw/zinc/20/61/98/940206198.db2.gz IEOCATAZHNBPEZ-AVGNSLFASA-N 1 3 310.442 0.362 20 0 DCADHO NC[C@@]1(O)CCCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC001246024147 945318561 /nfs/dbraw/zinc/31/85/61/945318561.db2.gz QQQBNSQWXVRRQN-IRXDYDNUSA-N 1 3 308.422 0.740 20 0 DCADHO NC[C@@]1(O)CCCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC001246024147 945318569 /nfs/dbraw/zinc/31/85/69/945318569.db2.gz QQQBNSQWXVRRQN-IRXDYDNUSA-N 1 3 308.422 0.740 20 0 DCADHO [NH3+]C[C@@]1(O)CCCCN(C[C@H](O)COCc2ccccc2)C1 ZINC001246024147 945318577 /nfs/dbraw/zinc/31/85/77/945318577.db2.gz QQQBNSQWXVRRQN-IRXDYDNUSA-N 1 3 308.422 0.740 20 0 DCADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC[C@H](F)C1 ZINC001246028817 945321817 /nfs/dbraw/zinc/32/18/17/945321817.db2.gz KSBDGAQLZIDMEF-SOUVJXGZSA-N 1 3 317.355 0.439 20 0 DCADHO COCCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001269236179 940657175 /nfs/dbraw/zinc/65/71/75/940657175.db2.gz XBXPJVQMNLXVOC-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](NC[C@@]23CCCO[C@@H]2CC[NH2+]C3)CCN1 ZINC001246154614 945348659 /nfs/dbraw/zinc/34/86/59/945348659.db2.gz VRCUOMDHQQSOFK-AYDFFVQHSA-N 1 3 311.426 0.028 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001482288618 940899032 /nfs/dbraw/zinc/89/90/32/940899032.db2.gz NKDDBKMAXYKIIC-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001482288618 940899034 /nfs/dbraw/zinc/89/90/34/940899034.db2.gz NKDDBKMAXYKIIC-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCOC(=O)[C@@](C)(O)CN1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001363784899 940931929 /nfs/dbraw/zinc/93/19/29/940931929.db2.gz KIQVEDPMOSNLRU-ZBFHGGJFSA-N 1 3 316.442 0.733 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303743 940943992 /nfs/dbraw/zinc/94/39/92/940943992.db2.gz IRPXBNPGDHWKJM-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)C[C@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482399387 941210814 /nfs/dbraw/zinc/21/08/14/941210814.db2.gz YIZCINJWPXDFGO-LSDHHAIUSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482399387 941210816 /nfs/dbraw/zinc/21/08/16/941210816.db2.gz YIZCINJWPXDFGO-LSDHHAIUSA-N 1 3 321.469 0.992 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCn1cccn1)C(C)C ZINC001482566945 941507938 /nfs/dbraw/zinc/50/79/38/941507938.db2.gz AFEUPDOPWVZHSO-HNNXBMFYSA-N 1 3 318.425 0.888 20 0 DCADHO CCN(CC[NH2+]CCn1nc(C)nc1C)C(=O)[C@@H]1CCCN1C ZINC001482914343 941710322 /nfs/dbraw/zinc/71/03/22/941710322.db2.gz MHYUTMDXDQXIGB-HNNXBMFYSA-N 1 3 322.457 0.427 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)CC1CC[NH+](C)CC1 ZINC001482955459 941723587 /nfs/dbraw/zinc/72/35/87/941723587.db2.gz KVOWLJYZGUSXGG-UHFFFAOYSA-N 1 3 322.457 0.783 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482949555 941725323 /nfs/dbraw/zinc/72/53/23/941725323.db2.gz ZMBKYCKUPIJWMA-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482949555 941725325 /nfs/dbraw/zinc/72/53/25/941725325.db2.gz ZMBKYCKUPIJWMA-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483128477 941877651 /nfs/dbraw/zinc/87/76/51/941877651.db2.gz FWMPOPACDPRNHX-IUODEOHRSA-N 1 3 305.426 0.356 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001483164148 941918277 /nfs/dbraw/zinc/91/82/77/941918277.db2.gz WKXIIOFSTXGCEG-UKRRQHHQSA-N 1 3 309.458 0.643 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172303 941922788 /nfs/dbraw/zinc/92/27/88/941922788.db2.gz MBIXXOMARYDNEV-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(C)C)CC[N@@H+]1C ZINC001483228850 941953203 /nfs/dbraw/zinc/95/32/03/941953203.db2.gz YWPVNLQHPHKUJP-MELADBBJSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(C)C)CC[N@H+]1C ZINC001483228850 941953210 /nfs/dbraw/zinc/95/32/10/941953210.db2.gz YWPVNLQHPHKUJP-MELADBBJSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC(N)=O)N1CCCC1 ZINC001483439482 942360851 /nfs/dbraw/zinc/36/08/51/942360851.db2.gz UOYBALVPKFZSMB-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1)C1CCC1 ZINC001483565088 942423920 /nfs/dbraw/zinc/42/39/20/942423920.db2.gz BAZSSXVMPKOXSV-CABCVRRESA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066823 942426373 /nfs/dbraw/zinc/42/63/73/942426373.db2.gz SQKKFUUSCCTXAI-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066823 942426374 /nfs/dbraw/zinc/42/63/74/942426374.db2.gz SQKKFUUSCCTXAI-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+][C@H]2CCCNC2=O)C2CC2)CCC1 ZINC001483567346 942426997 /nfs/dbraw/zinc/42/69/97/942426997.db2.gz ZYASXCAKBIHXLA-UONOGXRCSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001127067137 942428277 /nfs/dbraw/zinc/42/82/77/942428277.db2.gz WZHKTQQWIIYEQH-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001127067137 942428278 /nfs/dbraw/zinc/42/82/78/942428278.db2.gz WZHKTQQWIIYEQH-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001483570192 942430969 /nfs/dbraw/zinc/43/09/69/942430969.db2.gz HVDCGCZPTQDARZ-UONOGXRCSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001483570192 942430971 /nfs/dbraw/zinc/43/09/71/942430971.db2.gz HVDCGCZPTQDARZ-UONOGXRCSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@H]([NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001483579291 942438903 /nfs/dbraw/zinc/43/89/03/942438903.db2.gz HFTYZYRAPCURHO-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccnc(Cl)c1 ZINC001272514163 942797764 /nfs/dbraw/zinc/79/77/64/942797764.db2.gz TUGUHKONWDNQER-LBPRGKRZSA-N 1 3 314.817 0.253 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001272524501 942803081 /nfs/dbraw/zinc/80/30/81/942803081.db2.gz SKYCPZZXCDYNHV-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001483915380 943019722 /nfs/dbraw/zinc/01/97/22/943019722.db2.gz WMULRZXGNRTRJO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001483951911 943051561 /nfs/dbraw/zinc/05/15/61/943051561.db2.gz MVYNQTDJZMTAEQ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793848 943388432 /nfs/dbraw/zinc/38/84/32/943388432.db2.gz NQPACRKWVQFKPO-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793848 943388436 /nfs/dbraw/zinc/38/84/36/943388436.db2.gz NQPACRKWVQFKPO-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001484544614 943447959 /nfs/dbraw/zinc/44/79/59/943447959.db2.gz XQGHHFYHODWOIH-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](F)CC)C1 ZINC001484696509 943527505 /nfs/dbraw/zinc/52/75/05/943527505.db2.gz NTQRURBUXLMZKV-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001484765509 943554177 /nfs/dbraw/zinc/55/41/77/943554177.db2.gz HZHRJPOPQNWHEL-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001490897676 943585814 /nfs/dbraw/zinc/58/58/14/943585814.db2.gz NOYBCAXYVYUGRJ-JHJVBQTASA-N 1 3 310.442 0.184 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCC2)C1 ZINC001484907749 943623001 /nfs/dbraw/zinc/62/30/01/943623001.db2.gz WEFZYYHSWLGLNW-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCC2)C1 ZINC001484907749 943623004 /nfs/dbraw/zinc/62/30/04/943623004.db2.gz WEFZYYHSWLGLNW-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001490957714 943688113 /nfs/dbraw/zinc/68/81/13/943688113.db2.gz ALAKRBVVKXMBQR-TUVASFSCSA-N 1 3 324.469 0.574 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001490957715 943688560 /nfs/dbraw/zinc/68/85/60/943688560.db2.gz ALAKRBVVKXMBQR-ZQDZILKHSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+][C@H]2CCNC2=O)C1 ZINC001485259662 943776442 /nfs/dbraw/zinc/77/64/42/943776442.db2.gz AVTBPFWMUMIZNV-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001485702914 944095093 /nfs/dbraw/zinc/09/50/93/944095093.db2.gz INNKLCJMOPVLAH-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@H]4COC(C)(C)O4)CC3)[C@H]2C1 ZINC001276436697 944170800 /nfs/dbraw/zinc/17/08/00/944170800.db2.gz SMYZOXFGDDGTON-IHRRRGAJSA-N 1 3 323.437 0.280 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@H]4COC(C)(C)O4)CC3)[C@H]2C1 ZINC001276436697 944170807 /nfs/dbraw/zinc/17/08/07/944170807.db2.gz SMYZOXFGDDGTON-IHRRRGAJSA-N 1 3 323.437 0.280 20 0 DCADHO CCOC(=O)c1ccc(CN2CCC[C@](O)(C[NH3+])CC2)nc1 ZINC001205249786 944187301 /nfs/dbraw/zinc/18/73/01/944187301.db2.gz ZSFYVNKUSXSZIP-MRXNPFEDSA-N 1 3 307.394 0.934 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC001276497281 944193393 /nfs/dbraw/zinc/19/33/93/944193393.db2.gz UTVRNLQUKKIRST-PMPSAXMXSA-N 1 3 308.470 0.565 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001276497281 944193396 /nfs/dbraw/zinc/19/33/96/944193396.db2.gz UTVRNLQUKKIRST-PMPSAXMXSA-N 1 3 308.470 0.565 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001276497281 944193401 /nfs/dbraw/zinc/19/34/01/944193401.db2.gz UTVRNLQUKKIRST-PMPSAXMXSA-N 1 3 308.470 0.565 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001276497281 944193407 /nfs/dbraw/zinc/19/34/07/944193407.db2.gz UTVRNLQUKKIRST-PMPSAXMXSA-N 1 3 308.470 0.565 20 0 DCADHO Cc1[nH]c(=O)[nH]c(=O)c1CN1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001276625825 944238602 /nfs/dbraw/zinc/23/86/02/944238602.db2.gz DSBJYKJMJITEBO-BETUJISGSA-N 1 3 321.425 0.406 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3cccc(N)c3)C[C@H]21 ZINC001276861947 944332045 /nfs/dbraw/zinc/33/20/45/944332045.db2.gz VILJXZIWCFJCGO-SJORKVTESA-N 1 3 304.438 0.715 20 0 DCADHO CN(CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCCCO1)C1CCC1 ZINC001486003855 944489174 /nfs/dbraw/zinc/48/91/74/944489174.db2.gz HVHDWPXZXWEKCK-DZGCQCFKSA-N 1 3 313.442 0.107 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001486250937 944671218 /nfs/dbraw/zinc/67/12/18/944671218.db2.gz ZYWKPXVMMQRHOL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486250937 944671220 /nfs/dbraw/zinc/67/12/20/944671220.db2.gz ZYWKPXVMMQRHOL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1nncc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277600694 944901448 /nfs/dbraw/zinc/90/14/48/944901448.db2.gz GMYZKZXYGFPEHF-GASCZTMLSA-N 1 3 315.425 0.882 20 0 DCADHO Cn1nncc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277600694 944901457 /nfs/dbraw/zinc/90/14/57/944901457.db2.gz GMYZKZXYGFPEHF-GASCZTMLSA-N 1 3 315.425 0.882 20 0 DCADHO C[NH+](C)C1CCN(C(=O)[C@H]2CC23CN(CC2(C)COC2)C3)CC1 ZINC001277933162 945044868 /nfs/dbraw/zinc/04/48/68/945044868.db2.gz CJSXSHSWSSEOIW-OAHLLOKOSA-N 1 3 321.465 0.897 20 0 DCADHO CCOC(=O)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CCN(CC)CC1 ZINC001246329444 945387262 /nfs/dbraw/zinc/38/72/62/945387262.db2.gz QEEQYWCRJDOTAG-CQSZACIVSA-N 1 3 324.469 0.088 20 0 DCADHO C[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)C[NH2+]1 ZINC001246462946 945415241 /nfs/dbraw/zinc/41/52/41/945415241.db2.gz JLCVYPBPNNDUMX-YJBUHQLJSA-N 1 3 301.456 0.672 20 0 DCADHO CC[C@@H]1CC(N2CCOC[C@@]3(CNCCO3)C2)C[C@@H](CC)[NH2+]1 ZINC001246599601 945442060 /nfs/dbraw/zinc/44/20/60/945442060.db2.gz DOJIDLPBQUYLDG-BFYDXBDKSA-N 1 3 311.470 0.986 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CC[NH2+]C[C@@]3(CCCCN3)C2)CN1 ZINC001246637566 945448322 /nfs/dbraw/zinc/44/83/22/945448322.db2.gz YOFYXSXEJAHSPO-BHYGNILZSA-N 1 3 324.469 0.088 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CCNC[C@@]3(CCCC[NH2+]3)C2)CN1 ZINC001246637566 945448335 /nfs/dbraw/zinc/44/83/35/945448335.db2.gz YOFYXSXEJAHSPO-BHYGNILZSA-N 1 3 324.469 0.088 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]21)NCC1CC1 ZINC001246746855 945480647 /nfs/dbraw/zinc/48/06/47/945480647.db2.gz PARDPKZFGUJQPT-NCOADZHNSA-N 1 3 321.465 0.849 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246870930 945509737 /nfs/dbraw/zinc/50/97/37/945509737.db2.gz LUVACWMFSSEWGY-JYJNAYRXSA-N 1 3 324.469 0.025 20 0 DCADHO COC(=O)[C@H]1C[N@@H+](C2CCC(N3CCOCC3)CC2)C[C@H]1N ZINC001246929084 945519480 /nfs/dbraw/zinc/51/94/80/945519480.db2.gz CGRDRVXRVSSVBS-PFSRBDOWSA-N 1 3 311.426 0.062 20 0 DCADHO COC(=O)[C@H]1C[N@H+](C2CCC(N3CCOCC3)CC2)C[C@H]1N ZINC001246929084 945519487 /nfs/dbraw/zinc/51/94/87/945519487.db2.gz CGRDRVXRVSSVBS-PFSRBDOWSA-N 1 3 311.426 0.062 20 0 DCADHO COCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001278488223 945559002 /nfs/dbraw/zinc/55/90/02/945559002.db2.gz UMVMBAPVGZNFDX-VHDGCEQUSA-N 1 3 306.410 0.815 20 0 DCADHO COCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001278488219 945559780 /nfs/dbraw/zinc/55/97/80/945559780.db2.gz UMVMBAPVGZNFDX-AEGPPILISA-N 1 3 306.410 0.815 20 0 DCADHO COc1cc(OC)c(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cn1 ZINC001247831628 945576590 /nfs/dbraw/zinc/57/65/90/945576590.db2.gz AXTAZIYPTTUKKQ-SNVBAGLBSA-N 1 3 317.349 0.425 20 0 DCADHO CC(C)Oc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)cn1 ZINC001247849125 945577554 /nfs/dbraw/zinc/57/75/54/945577554.db2.gz AZMPJPVITFQPLM-UHFFFAOYSA-N 1 3 315.377 0.979 20 0 DCADHO C[NH+](C)CCNC(=S)N1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001249837550 945649319 /nfs/dbraw/zinc/64/93/19/945649319.db2.gz DCPNSKPEASRXMB-STQMWFEESA-N 1 3 302.463 0.931 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H](C)C1 ZINC001319712135 945653132 /nfs/dbraw/zinc/65/31/32/945653132.db2.gz QFJNADDPMZKYSA-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H]([NH2+]CCOCCO)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001319819012 945672350 /nfs/dbraw/zinc/67/23/50/945672350.db2.gz IZURWKRYMLPIAL-ZIAGYGMSSA-N 1 3 324.425 0.178 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001273201008 945779007 /nfs/dbraw/zinc/77/90/07/945779007.db2.gz ACEIJJXAAMPZSU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CC[NH2+]CCN1CCCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001320550116 945921716 /nfs/dbraw/zinc/92/17/16/945921716.db2.gz VICOUBASVPCZRK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CCN(c2cc(C)ncn2)C1 ZINC001253214014 946097875 /nfs/dbraw/zinc/09/78/75/946097875.db2.gz XZGAGWDGOIMXAU-CABCVRRESA-N 1 3 307.442 0.656 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001410446657 946390431 /nfs/dbraw/zinc/39/04/31/946390431.db2.gz XKGNYOLKTXALIU-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001255434247 946509957 /nfs/dbraw/zinc/50/99/57/946509957.db2.gz OVENSUSSIOOZPO-GFCCVEGCSA-N 1 3 303.410 0.545 20 0 DCADHO C[N@H+]1CC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001255434247 946509966 /nfs/dbraw/zinc/50/99/66/946509966.db2.gz OVENSUSSIOOZPO-GFCCVEGCSA-N 1 3 303.410 0.545 20 0 DCADHO C[NH+]1CCC(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)CC1 ZINC001256205234 946598692 /nfs/dbraw/zinc/59/86/92/946598692.db2.gz XOVQCLZUZHALAY-JKSUJKDBSA-N 1 3 317.437 0.708 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)CC1 ZINC001410612135 946652363 /nfs/dbraw/zinc/65/23/63/946652363.db2.gz BZFJNVWVBXPLPI-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CCCCN1C ZINC001322571169 946726992 /nfs/dbraw/zinc/72/69/92/946726992.db2.gz UTDDUTCKKKWZNN-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410868000 947057592 /nfs/dbraw/zinc/05/75/92/947057592.db2.gz QACNFNMQRJYSLG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)C[C@@H]1C ZINC001410886366 947084902 /nfs/dbraw/zinc/08/49/02/947084902.db2.gz QGWSBWQLAQMNNB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)C1CC1 ZINC001323499950 947106261 /nfs/dbraw/zinc/10/62/61/947106261.db2.gz FJJFYMNFNPKLNZ-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001411134061 947367894 /nfs/dbraw/zinc/36/78/94/947367894.db2.gz XBNSPSLBDYRLMJ-HNNXBMFYSA-N 1 3 315.458 0.162 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)CCC1 ZINC001411233162 947519691 /nfs/dbraw/zinc/51/96/91/947519691.db2.gz FXDKJQHTMWZOCZ-UHFFFAOYSA-N 1 3 319.453 0.946 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC001411257293 947545996 /nfs/dbraw/zinc/54/59/96/947545996.db2.gz FCPLMUBTYFSBNN-LBPRGKRZSA-N 1 3 308.426 0.860 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001262068303 947550461 /nfs/dbraw/zinc/55/04/61/947550461.db2.gz XHDIVRCARWKORH-UBHSHLNASA-N 1 3 308.426 0.139 20 0 DCADHO CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001325100404 947651445 /nfs/dbraw/zinc/65/14/45/947651445.db2.gz AIUIZILYTRZHDB-HOCLYGCPSA-N 1 3 315.458 0.162 20 0 DCADHO CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001325100404 947651452 /nfs/dbraw/zinc/65/14/52/947651452.db2.gz AIUIZILYTRZHDB-HOCLYGCPSA-N 1 3 315.458 0.162 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC ZINC001135975847 947668267 /nfs/dbraw/zinc/66/82/67/947668267.db2.gz DKKJKODYLPHIML-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179420847 947847330 /nfs/dbraw/zinc/84/73/30/947847330.db2.gz OTQHNPXVLUVLDL-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]([NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001179586453 947870372 /nfs/dbraw/zinc/87/03/72/947870372.db2.gz OWJZKIBVZPPUTM-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CC23CC[NH+](C)CC3)CC1 ZINC001273517073 947938816 /nfs/dbraw/zinc/93/88/16/947938816.db2.gz JIYIOGQIWJCLSO-OAHLLOKOSA-N 1 3 308.470 0.472 20 0 DCADHO OC1CCN(CCC[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC001326842183 948297251 /nfs/dbraw/zinc/29/72/51/948297251.db2.gz MPUSXNSIYAYYEH-INIZCTEOSA-N 1 3 311.470 0.676 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@H](O)C(C)(C)C)C2)C1=O ZINC001273891086 948663398 /nfs/dbraw/zinc/66/33/98/948663398.db2.gz HWZZXTVGOHOHCB-YOEHRIQHSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)C(C)(C)C)C2)C1=O ZINC001273891086 948663401 /nfs/dbraw/zinc/66/34/01/948663401.db2.gz HWZZXTVGOHOHCB-YOEHRIQHSA-N 1 3 311.470 0.879 20 0 DCADHO CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001264097216 948881132 /nfs/dbraw/zinc/88/11/32/948881132.db2.gz KCPRPNZDIMAKPA-KGLIPLIRSA-N 1 3 306.410 0.769 20 0 DCADHO CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001264097216 948881151 /nfs/dbraw/zinc/88/11/51/948881151.db2.gz KCPRPNZDIMAKPA-KGLIPLIRSA-N 1 3 306.410 0.769 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CCO ZINC001264528213 948998806 /nfs/dbraw/zinc/99/88/06/948998806.db2.gz MXQNQUHOHPWERP-KFWWJZLASA-N 1 3 315.458 0.018 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001488832379 949290922 /nfs/dbraw/zinc/29/09/22/949290922.db2.gz WRSRIBJYZMIWHR-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001329169618 949410930 /nfs/dbraw/zinc/41/09/30/949410930.db2.gz YRTXSBGOYGGZGS-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001329169618 949410941 /nfs/dbraw/zinc/41/09/41/949410941.db2.gz YRTXSBGOYGGZGS-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001265494610 949729169 /nfs/dbraw/zinc/72/91/69/949729169.db2.gz RHOCXFOWKRKMMB-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001490117225 950260687 /nfs/dbraw/zinc/26/06/87/950260687.db2.gz HTIFFEHCEMLESE-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CCNCc2cnnn2C)C1 ZINC001280251378 950798400 /nfs/dbraw/zinc/79/84/00/950798400.db2.gz KDDTUDHPYNUICV-AWEZNQCLSA-N 1 3 322.457 0.485 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CCNCc2cnnn2C)C1 ZINC001280251378 950798411 /nfs/dbraw/zinc/79/84/11/950798411.db2.gz KDDTUDHPYNUICV-AWEZNQCLSA-N 1 3 322.457 0.485 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001274046796 951363452 /nfs/dbraw/zinc/36/34/52/951363452.db2.gz HZKCMYSFLWNIGN-KBXCAEBGSA-N 1 3 317.433 0.919 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001274046796 951363460 /nfs/dbraw/zinc/36/34/60/951363460.db2.gz HZKCMYSFLWNIGN-KBXCAEBGSA-N 1 3 317.433 0.919 20 0 DCADHO Cc1nn(C)cc1CNC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001274367837 951588613 /nfs/dbraw/zinc/58/86/13/951588613.db2.gz HLOWKONUEHPGGG-ZRUQZJFASA-N 1 3 319.453 0.832 20 0 DCADHO Cc1nn(C)cc1CNC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274367837 951588624 /nfs/dbraw/zinc/58/86/24/951588624.db2.gz HLOWKONUEHPGGG-ZRUQZJFASA-N 1 3 319.453 0.832 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001365827451 951590588 /nfs/dbraw/zinc/59/05/88/951590588.db2.gz DOGTUKOGSKJFEQ-NFAWXSAZSA-N 1 3 324.469 0.478 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001274579733 951714420 /nfs/dbraw/zinc/71/44/20/951714420.db2.gz WMXVHKLYJSRNIP-JSMHICHCSA-N 1 3 324.469 0.457 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001274579733 951714422 /nfs/dbraw/zinc/71/44/22/951714422.db2.gz WMXVHKLYJSRNIP-JSMHICHCSA-N 1 3 324.469 0.457 20 0 DCADHO Cn1cncc1N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274758180 951830783 /nfs/dbraw/zinc/83/07/83/951830783.db2.gz CSRJXUYUNZFGLF-ZDUSSCGKSA-N 1 3 305.426 0.704 20 0 DCADHO CCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CCN1CC2 ZINC001275101771 951957595 /nfs/dbraw/zinc/95/75/95/951957595.db2.gz QNOUYFCPJBUEGP-OWCLPIDISA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CCN1CC2 ZINC001275101771 951957601 /nfs/dbraw/zinc/95/76/01/951957601.db2.gz QNOUYFCPJBUEGP-OWCLPIDISA-N 1 3 307.438 0.792 20 0 DCADHO O=C1CC[C@H](C[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)N1 ZINC001275185928 951992392 /nfs/dbraw/zinc/99/23/92/951992392.db2.gz FLNBSIMTFZFKAR-OWCLPIDISA-N 1 3 317.437 0.832 20 0 DCADHO O=C1CC[C@H](C[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)N1 ZINC001275185928 951992400 /nfs/dbraw/zinc/99/24/00/951992400.db2.gz FLNBSIMTFZFKAR-OWCLPIDISA-N 1 3 317.437 0.832 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC001333442898 952063699 /nfs/dbraw/zinc/06/36/99/952063699.db2.gz AKGOKJOVXCTLNT-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CCCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542971 952244113 /nfs/dbraw/zinc/24/41/13/952244113.db2.gz XOAHOYQZLURGSN-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC001335935401 952622501 /nfs/dbraw/zinc/62/25/01/952622501.db2.gz XJKDNASQACTITD-INIZCTEOSA-N 1 3 313.486 0.660 20 0 DCADHO CC[NH+]1CCN(CC(C)(C)NC(=O)Cn2ccnc2C)CC1 ZINC001412243080 952712299 /nfs/dbraw/zinc/71/22/99/952712299.db2.gz GTDPLIBUSSCQBT-UHFFFAOYSA-N 1 3 307.442 0.724 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)C2(O)CCC2)C[C@@H](C)O1 ZINC001336764211 952761626 /nfs/dbraw/zinc/76/16/26/952761626.db2.gz WYNAKQPNPSIXGT-KFWWJZLASA-N 1 3 300.443 0.741 20 0 DCADHO CN(CCC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@H]1CCCN1C ZINC001276173834 952967442 /nfs/dbraw/zinc/96/74/42/952967442.db2.gz KWEDGXUVXCFODN-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001276174724 952969388 /nfs/dbraw/zinc/96/93/88/952969388.db2.gz VXTPLRUZZUJQHJ-OAHLLOKOSA-N 1 3 322.457 0.427 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001412690676 952998598 /nfs/dbraw/zinc/99/85/98/952998598.db2.gz GOMQVLZRDWRXEN-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cncnc3)C[C@H]2CC1 ZINC001276304158 953138698 /nfs/dbraw/zinc/13/86/98/953138698.db2.gz ZGQFVIZEOFYQCU-IYBDPMFKSA-N 1 3 317.437 0.709 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cncnc3)C[C@H]2CC1 ZINC001276304158 953138702 /nfs/dbraw/zinc/13/87/02/953138702.db2.gz ZGQFVIZEOFYQCU-IYBDPMFKSA-N 1 3 317.437 0.709 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)CC1 ZINC001341627229 953240905 /nfs/dbraw/zinc/24/09/05/953240905.db2.gz NADMXOZBCICJCN-YESZJQIVSA-N 1 3 322.497 0.908 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)CC(C)(C)C[NH3+])CC1 ZINC001343544485 953352919 /nfs/dbraw/zinc/35/29/19/953352919.db2.gz ZFDCFBOQZAJTRS-UHFFFAOYSA-N 1 3 313.442 0.753 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001366061820 953634883 /nfs/dbraw/zinc/63/48/83/953634883.db2.gz LJICMWFMYABVNB-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366089198 953667491 /nfs/dbraw/zinc/66/74/91/953667491.db2.gz GREIVRNABKRJPY-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001366091043 953669644 /nfs/dbraw/zinc/66/96/44/953669644.db2.gz BDLJANHGCQKVOV-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001366091043 953669650 /nfs/dbraw/zinc/66/96/50/953669650.db2.gz BDLJANHGCQKVOV-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366097190 953679248 /nfs/dbraw/zinc/67/92/48/953679248.db2.gz DYUTWSRPBRFSMY-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001366128771 953720179 /nfs/dbraw/zinc/72/01/79/953720179.db2.gz YPZCLBAVZVQQRC-QEJZJMRPSA-N 1 3 322.453 0.091 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001366134084 953725408 /nfs/dbraw/zinc/72/54/08/953725408.db2.gz UPLIHKNUUFDGDJ-AJNGGQMLSA-N 1 3 313.442 0.105 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366149609 953745967 /nfs/dbraw/zinc/74/59/67/953745967.db2.gz KXBFLWFQQBGPBA-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(CC)CC)C1)N(C)C ZINC001366161785 953760608 /nfs/dbraw/zinc/76/06/08/953760608.db2.gz ZMCDZIDLJSBGIO-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001366209672 953830529 /nfs/dbraw/zinc/83/05/29/953830529.db2.gz XARAWJHXSVNVEA-AWEZNQCLSA-N 1 3 310.442 0.032 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001283085387 953991413 /nfs/dbraw/zinc/99/14/13/953991413.db2.gz DJEFZNOIKNGBKE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001283085387 953991419 /nfs/dbraw/zinc/99/14/19/953991419.db2.gz DJEFZNOIKNGBKE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001366321001 954017706 /nfs/dbraw/zinc/01/77/06/954017706.db2.gz JTFJEBDATYKOAR-AGIUHOORSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001366321001 954017716 /nfs/dbraw/zinc/01/77/16/954017716.db2.gz JTFJEBDATYKOAR-AGIUHOORSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001366350064 954074370 /nfs/dbraw/zinc/07/43/70/954074370.db2.gz YPSUITOSLUEPJS-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NCC)C1 ZINC001366383738 954130966 /nfs/dbraw/zinc/13/09/66/954130966.db2.gz ABJSCCAFFLGDGV-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NCC)C1 ZINC001366383738 954130975 /nfs/dbraw/zinc/13/09/75/954130975.db2.gz ABJSCCAFFLGDGV-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001283290599 954222176 /nfs/dbraw/zinc/22/21/76/954222176.db2.gz UTAIPXVVMLWUHL-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001349243296 954669395 /nfs/dbraw/zinc/66/93/95/954669395.db2.gz JTLMOCXIJVCPAZ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001349243296 954669402 /nfs/dbraw/zinc/66/94/02/954669402.db2.gz JTLMOCXIJVCPAZ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[N@H+](C)C1CCCCC1)C(N)=O ZINC001366767796 954805306 /nfs/dbraw/zinc/80/53/06/954805306.db2.gz JHNLMCHICUHILU-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1)C(N)=O ZINC001366767796 954805310 /nfs/dbraw/zinc/80/53/10/954805310.db2.gz JHNLMCHICUHILU-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001366775717 954828139 /nfs/dbraw/zinc/82/81/39/954828139.db2.gz JRWHAZPVFMWFCU-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001366775717 954828150 /nfs/dbraw/zinc/82/81/50/954828150.db2.gz JRWHAZPVFMWFCU-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001366778721 954834489 /nfs/dbraw/zinc/83/44/89/954834489.db2.gz QDTQOKAKVBBHDN-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001366879882 954983971 /nfs/dbraw/zinc/98/39/71/954983971.db2.gz GLUAKPQCRKWBSZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001366879882 954983983 /nfs/dbraw/zinc/98/39/83/954983983.db2.gz GLUAKPQCRKWBSZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@@H](O)CNC/C=C\Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001284444297 955098510 /nfs/dbraw/zinc/09/85/10/955098510.db2.gz IHLDDIIHDWMIFN-KMSCOEIWSA-N 1 3 303.834 0.490 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]C/C=C\Cl)C1 ZINC001284448688 955104598 /nfs/dbraw/zinc/10/45/98/955104598.db2.gz QWKMAHFKPOULIZ-NZTAEXDXSA-N 1 3 303.834 0.490 20 0 DCADHO COC[C@@H](O)CN1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001367048308 955259620 /nfs/dbraw/zinc/25/96/20/955259620.db2.gz VDRWIRQYANCNAB-KKUMJFAQSA-N 1 3 315.458 0.113 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCNC1=O ZINC001367093604 955306124 /nfs/dbraw/zinc/30/61/24/955306124.db2.gz KWZQPTYDVCQEAB-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001367150067 955404617 /nfs/dbraw/zinc/40/46/17/955404617.db2.gz OURFUMKBGNBLDU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]([NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001367179387 955435936 /nfs/dbraw/zinc/43/59/36/955435936.db2.gz DTJIJDBRUSYLRP-CQSZACIVSA-N 1 3 321.425 0.434 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001480460539 956003782 /nfs/dbraw/zinc/00/37/82/956003782.db2.gz VTRCLOZJHDKGTQ-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)(CNC(=O)CNCC[NH3+])N1CCc2ccccc2C1 ZINC001353482041 956077087 /nfs/dbraw/zinc/07/70/87/956077087.db2.gz JJIBRRGALUZPJY-UHFFFAOYSA-N 1 3 304.438 0.488 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1CCC[NH+]1CCCC1 ZINC001354228100 956320689 /nfs/dbraw/zinc/32/06/89/956320689.db2.gz DVYCPXYMHDNLNC-CQSZACIVSA-N 1 3 308.426 0.879 20 0 DCADHO Nc1ncccc1C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC001413970843 956839491 /nfs/dbraw/zinc/83/94/91/956839491.db2.gz AVIYHFOBAQPWOM-UHFFFAOYSA-N 1 3 306.410 0.323 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001356793802 957036943 /nfs/dbraw/zinc/03/69/43/957036943.db2.gz FPCZNWYXYNAUIN-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH3+])CO[N-]C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001357874923 957395721 /nfs/dbraw/zinc/39/57/21/957395721.db2.gz RKCOTIZHTHYUCN-ZDUSSCGKSA-N 1 3 309.410 0.955 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)CNCC(=O)NC)C1 ZINC001367381776 957745298 /nfs/dbraw/zinc/74/52/98/957745298.db2.gz JOSUWANBVRMJPJ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H](C)CNCC(=O)NC)C1 ZINC001367381776 957745305 /nfs/dbraw/zinc/74/53/05/957745305.db2.gz JOSUWANBVRMJPJ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001367470010 957855998 /nfs/dbraw/zinc/85/59/98/957855998.db2.gz CDLOFGRAKNPIKW-QWHCGFSZSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001367620812 958196958 /nfs/dbraw/zinc/19/69/58/958196958.db2.gz REGJTQWFXBZPTN-GJZGRUSLSA-N 1 3 311.401 0.733 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367691745 958375871 /nfs/dbraw/zinc/37/58/71/958375871.db2.gz NYUCDTPBWZZZFY-VXGBXAGGSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001298484145 958620155 /nfs/dbraw/zinc/62/01/55/958620155.db2.gz RWHUEZCFQBOTNZ-YOVCOIKASA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001298484145 958620162 /nfs/dbraw/zinc/62/01/62/958620162.db2.gz RWHUEZCFQBOTNZ-YOVCOIKASA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001376805583 958880200 /nfs/dbraw/zinc/88/02/00/958880200.db2.gz XUWLIEGGCDBIQB-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC001491633230 958980637 /nfs/dbraw/zinc/98/06/37/958980637.db2.gz WVCGLAOJKFOWPI-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC001491633230 958980645 /nfs/dbraw/zinc/98/06/45/958980645.db2.gz WVCGLAOJKFOWPI-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H](C)C(N)=O ZINC001491683308 959042260 /nfs/dbraw/zinc/04/22/60/959042260.db2.gz SFLLFQRQOSLHKS-NEPJUHHUSA-N 1 3 306.410 0.330 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001368104511 959241512 /nfs/dbraw/zinc/24/15/12/959241512.db2.gz SOXRNVXZZWXDSK-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C[C@H]1C ZINC001368111194 959262969 /nfs/dbraw/zinc/26/29/69/959262969.db2.gz WMCQLJBAMVREBL-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001368232954 959472059 /nfs/dbraw/zinc/47/20/59/959472059.db2.gz FUVGUPWNKQZERG-UHFFFAOYSA-N 1 3 323.441 0.127 20 0 DCADHO C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368332705 959690636 /nfs/dbraw/zinc/69/06/36/959690636.db2.gz JDMMYBSOTAARAN-QWHCGFSZSA-N 1 3 308.430 0.093 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1)N(C)C ZINC001368345899 959705218 /nfs/dbraw/zinc/70/52/18/959705218.db2.gz HRNJUQSDNKUIBW-IHRRRGAJSA-N 1 3 312.458 0.324 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001368351829 959714974 /nfs/dbraw/zinc/71/49/74/959714974.db2.gz NECJQBPIZPMROP-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C[C@H]1CCc2ncnn21 ZINC001377258561 959809261 /nfs/dbraw/zinc/80/92/61/959809261.db2.gz JQGHQOIGEARJEF-CQSZACIVSA-N 1 3 320.441 0.155 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001368451675 959883624 /nfs/dbraw/zinc/88/36/24/959883624.db2.gz OYKRGFSEISVQMD-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001368458736 959893061 /nfs/dbraw/zinc/89/30/61/959893061.db2.gz KXLOMUIWVMOZRT-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001368464206 959902196 /nfs/dbraw/zinc/90/21/96/959902196.db2.gz ZZZADIGFQCHFIY-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)[C@@H](C)C1 ZINC001377381718 960001703 /nfs/dbraw/zinc/00/17/03/960001703.db2.gz KCWRVLCCWBBXFG-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)[C@@H](C)C1 ZINC001377381718 960001717 /nfs/dbraw/zinc/00/17/17/960001717.db2.gz KCWRVLCCWBBXFG-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@H+](C)CCc2cnn(C)c2)CCC1 ZINC001316831431 960032045 /nfs/dbraw/zinc/03/20/45/960032045.db2.gz ZYRJKCSLYRMYOJ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@@H+](C)CCc2cnn(C)c2)CCC1 ZINC001316831431 960032058 /nfs/dbraw/zinc/03/20/58/960032058.db2.gz ZYRJKCSLYRMYOJ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001368575976 960050235 /nfs/dbraw/zinc/05/02/35/960050235.db2.gz IEQMEGKIKKMHJX-UONOGXRCSA-N 1 3 313.442 0.323 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2cncn2C)C1 ZINC001368651064 960122521 /nfs/dbraw/zinc/12/25/21/960122521.db2.gz FJKDVFJODAREPB-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2cncn2C)C1 ZINC001368651064 960122529 /nfs/dbraw/zinc/12/25/29/960122529.db2.gz FJKDVFJODAREPB-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001368664256 960137332 /nfs/dbraw/zinc/13/73/32/960137332.db2.gz HEOZXFQSETWEHT-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001377466056 960146580 /nfs/dbraw/zinc/14/65/80/960146580.db2.gz GCNWSRVECTXASV-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001377466056 960146588 /nfs/dbraw/zinc/14/65/88/960146588.db2.gz GCNWSRVECTXASV-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1nccn1C ZINC001368743822 960220541 /nfs/dbraw/zinc/22/05/41/960220541.db2.gz OZDROJDSYCSGEZ-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1nccn1C ZINC001368743822 960220552 /nfs/dbraw/zinc/22/05/52/960220552.db2.gz OZDROJDSYCSGEZ-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnnn1C ZINC001377525811 960231645 /nfs/dbraw/zinc/23/16/45/960231645.db2.gz RAMKKGSYFRZJTI-ZFWWWQNUSA-N 1 3 322.457 0.674 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001368778185 960256569 /nfs/dbraw/zinc/25/65/69/960256569.db2.gz QDFUTMHRARHKHP-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(N)=O ZINC001377597782 960341385 /nfs/dbraw/zinc/34/13/85/960341385.db2.gz XBANQGVMRIGLLZ-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(N)=O ZINC001377597782 960341394 /nfs/dbraw/zinc/34/13/94/960341394.db2.gz XBANQGVMRIGLLZ-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001377610373 960353513 /nfs/dbraw/zinc/35/35/13/960353513.db2.gz RLWXWKRBOQKTBH-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001377733864 960528855 /nfs/dbraw/zinc/52/88/55/960528855.db2.gz ROHAIWXBKXMWIH-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001377733864 960528872 /nfs/dbraw/zinc/52/88/72/960528872.db2.gz ROHAIWXBKXMWIH-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377791900 960669622 /nfs/dbraw/zinc/66/96/22/960669622.db2.gz YMMQTDQYGCBGIS-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377791900 960669633 /nfs/dbraw/zinc/66/96/33/960669633.db2.gz YMMQTDQYGCBGIS-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO NC(C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1)C(F)(F)F ZINC001549032895 1013238468 /nfs/dbraw/zinc/23/84/68/1013238468.db2.gz ZCLIFDPHDORZPJ-FBIMIBRVSA-N 1 3 305.275 0.968 20 0 DCADHO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001378807957 961517271 /nfs/dbraw/zinc/51/72/71/961517271.db2.gz UZUNCYCINLPDSZ-UKRRQHHQSA-N 1 3 320.437 0.416 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001378818714 961540033 /nfs/dbraw/zinc/54/00/33/961540033.db2.gz WHGJXOKPLCFCOT-KBPBESRZSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1)[NH+](C)C ZINC001378842609 961589565 /nfs/dbraw/zinc/58/95/65/961589565.db2.gz GENRKOLKMREMAG-BPUTZDHNSA-N 1 3 321.469 0.991 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001378859627 961619164 /nfs/dbraw/zinc/61/91/64/961619164.db2.gz RWJQENFOARDBLP-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C[N@H+](C)CCc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001379739118 961907457 /nfs/dbraw/zinc/90/74/57/961907457.db2.gz IENNDMDHNMYIEO-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](C[N@@H+](C)CCc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001379739118 961907476 /nfs/dbraw/zinc/90/74/76/961907476.db2.gz IENNDMDHNMYIEO-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001430267160 1013302434 /nfs/dbraw/zinc/30/24/34/1013302434.db2.gz OJRUJBOSPKXYJU-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001430267160 1013302442 /nfs/dbraw/zinc/30/24/42/1013302442.db2.gz OJRUJBOSPKXYJU-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](F)CNC[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379812100 962075649 /nfs/dbraw/zinc/07/56/49/962075649.db2.gz VWJGFSMHEQPDNV-UONOGXRCSA-N 1 3 315.433 0.772 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001379871728 962186687 /nfs/dbraw/zinc/18/66/87/962186687.db2.gz LTPOCROBJOFLEO-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001379871728 962186703 /nfs/dbraw/zinc/18/67/03/962186703.db2.gz LTPOCROBJOFLEO-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CCC1 ZINC001447237616 1013326022 /nfs/dbraw/zinc/32/60/22/1013326022.db2.gz LHBOIHHQZGUHNB-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001379395764 962819124 /nfs/dbraw/zinc/81/91/24/962819124.db2.gz KEQTXQJINVBPAG-CYBMUJFWSA-N 1 3 305.426 0.643 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001379470164 962997333 /nfs/dbraw/zinc/99/73/33/962997333.db2.gz WESGWDPEOBSIHF-MNOVXSKESA-N 1 3 313.364 0.734 20 0 DCADHO CC[C@H](C(=O)NC1(C)CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001380310253 963026554 /nfs/dbraw/zinc/02/65/54/963026554.db2.gz YREPQQVVPNAXGR-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379536591 963150832 /nfs/dbraw/zinc/15/08/32/963150832.db2.gz RRNHYPSUSLSQTM-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379580592 963213735 /nfs/dbraw/zinc/21/37/35/963213735.db2.gz IDSORKYBXJLRSZ-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001379609762 963259889 /nfs/dbraw/zinc/25/98/89/963259889.db2.gz XWBROCYSLCKLDA-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CO[C@H](C)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001380505790 963267603 /nfs/dbraw/zinc/26/76/03/963267603.db2.gz OAYZRJLLCTZUAF-GFCCVEGCSA-N 1 3 324.425 0.551 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]CCF)CCOCC2)C1 ZINC001380503657 963268227 /nfs/dbraw/zinc/26/82/27/963268227.db2.gz KIWYXICANUFKHA-ZDUSSCGKSA-N 1 3 301.406 0.553 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(=O)N2CCC2)CC1 ZINC001381101755 963815047 /nfs/dbraw/zinc/81/50/47/963815047.db2.gz ABIDHQSVAQPRNE-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381106112 963818561 /nfs/dbraw/zinc/81/85/61/963818561.db2.gz SWIKYIGDBLQBJM-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001381111662 963822292 /nfs/dbraw/zinc/82/22/92/963822292.db2.gz UDYVFQIYUIEBOP-OCCSQVGLSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001381343180 963985360 /nfs/dbraw/zinc/98/53/60/963985360.db2.gz WJRVNZMDPDXXBA-XUJLQICISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(=O)NC2CC2)C2CC2)C1 ZINC001375257205 964180835 /nfs/dbraw/zinc/18/08/35/964180835.db2.gz XXNNJEZJSZHIIR-DOMZBBRYSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H]1CCNC1=O ZINC001369038250 964328873 /nfs/dbraw/zinc/32/88/73/964328873.db2.gz JZECIPLRNUDCTO-UONOGXRCSA-N 1 3 321.425 0.303 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375517574 964500450 /nfs/dbraw/zinc/50/04/50/964500450.db2.gz YYUGABCOYUUUFH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375517574 964500458 /nfs/dbraw/zinc/50/04/58/964500458.db2.gz YYUGABCOYUUUFH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001369184610 964503006 /nfs/dbraw/zinc/50/30/06/964503006.db2.gz FGMHZGGYAMKALM-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001375539181 964529366 /nfs/dbraw/zinc/52/93/66/964529366.db2.gz XUEJVZYYQPPDFL-BZUAXINKSA-N 1 3 321.469 0.787 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001375587754 964581294 /nfs/dbraw/zinc/58/12/94/964581294.db2.gz AJRFULZMBRWZCD-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCNC1=O ZINC001369256057 964609713 /nfs/dbraw/zinc/60/97/13/964609713.db2.gz ADXFXUVJOREICU-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001369281538 964648172 /nfs/dbraw/zinc/64/81/72/964648172.db2.gz DNLAXGJKWMTHAL-QWHCGFSZSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001369281777 964648226 /nfs/dbraw/zinc/64/82/26/964648226.db2.gz NAYXYLWRIVQCBJ-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)c1n[nH]c(C)n1 ZINC001369290083 964662844 /nfs/dbraw/zinc/66/28/44/964662844.db2.gz OHPIEIHFADRVKW-RYUDHWBXSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)c1n[nH]c(C)n1 ZINC001369290083 964662851 /nfs/dbraw/zinc/66/28/51/964662851.db2.gz OHPIEIHFADRVKW-RYUDHWBXSA-N 1 3 310.446 0.952 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC1CC1 ZINC001373818887 964675400 /nfs/dbraw/zinc/67/54/00/964675400.db2.gz AKFUPYDFSWPHCK-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001373878397 964744669 /nfs/dbraw/zinc/74/46/69/964744669.db2.gz XHHQXPHGBCBSQQ-RHSMWYFYSA-N 1 3 324.469 0.480 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001373923262 964786759 /nfs/dbraw/zinc/78/67/59/964786759.db2.gz HPHPEAMUFWWVDW-MGPQQGTHSA-N 1 3 324.425 0.285 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NCC)CC1 ZINC001373923875 964786867 /nfs/dbraw/zinc/78/68/67/964786867.db2.gz OZDCUVHCCAHRPS-HDJSIYSDSA-N 1 3 312.458 0.481 20 0 DCADHO Cc1cc(F)ccc1CN[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001369345614 964792227 /nfs/dbraw/zinc/79/22/27/964792227.db2.gz HNMWSBXEOJRIFD-OAHLLOKOSA-N 1 3 311.401 0.653 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCCC1 ZINC001375764547 964811624 /nfs/dbraw/zinc/81/16/24/964811624.db2.gz FDHMPVVCRKTKCV-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCCC1 ZINC001375764547 964811639 /nfs/dbraw/zinc/81/16/39/964811639.db2.gz FDHMPVVCRKTKCV-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001375767716 964814102 /nfs/dbraw/zinc/81/41/02/964814102.db2.gz QOSMDZKYDCGQLY-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375767716 964814112 /nfs/dbraw/zinc/81/41/12/964814112.db2.gz QOSMDZKYDCGQLY-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CC[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)C1=O ZINC001375791141 964839525 /nfs/dbraw/zinc/83/95/25/964839525.db2.gz DTJXPHTWNUOREY-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C)N(C)C ZINC001369386183 964871227 /nfs/dbraw/zinc/87/12/27/964871227.db2.gz WUVLQVPCGCOZTD-HOTGVXAUSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@H]1C[C@H](NCc2cncn2C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369394913 964890825 /nfs/dbraw/zinc/89/08/25/964890825.db2.gz BRLWUZUFALZTDN-KBPBESRZSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C[C@@H]1C ZINC001369407119 964913304 /nfs/dbraw/zinc/91/33/04/964913304.db2.gz YSOLLOSVTKWKAP-GJZGRUSLSA-N 1 3 321.469 0.882 20 0 DCADHO Cc1cnc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001374078912 964984453 /nfs/dbraw/zinc/98/44/53/964984453.db2.gz PATIGTCJMGZJTL-KBPBESRZSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@@H](O)CN1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001376068425 965154124 /nfs/dbraw/zinc/15/41/24/965154124.db2.gz JBQDEYZZYATILR-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001447797470 1013551561 /nfs/dbraw/zinc/55/15/61/1013551561.db2.gz LHWUHWKAVYUOGU-RUXDESIVSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCCF)C1)N(C)C ZINC001376086969 965180671 /nfs/dbraw/zinc/18/06/71/965180671.db2.gz CANMFSQFSHNAJS-DZGCQCFKSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1)N(C)C ZINC001376086969 965180673 /nfs/dbraw/zinc/18/06/73/965180673.db2.gz CANMFSQFSHNAJS-DZGCQCFKSA-N 1 3 303.422 0.485 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374277631 965215387 /nfs/dbraw/zinc/21/53/87/965215387.db2.gz DXNNMKIHKUHVRT-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374277631 965215395 /nfs/dbraw/zinc/21/53/95/965215395.db2.gz DXNNMKIHKUHVRT-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374289109 965229575 /nfs/dbraw/zinc/22/95/75/965229575.db2.gz UEGHAMYMSCUKGC-STQMWFEESA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CN1CCCC1 ZINC001376296745 965493223 /nfs/dbraw/zinc/49/32/23/965493223.db2.gz MGMXHYPZHDARQQ-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NC2CC2)C1 ZINC001376342105 965545448 /nfs/dbraw/zinc/54/54/48/965545448.db2.gz ITCRDYMIDUKIIL-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2)CCC1 ZINC001374614729 965641360 /nfs/dbraw/zinc/64/13/60/965641360.db2.gz HRNKDXDZIJLGQU-OAHLLOKOSA-N 1 3 305.422 0.738 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001376478764 965713054 /nfs/dbraw/zinc/71/30/54/965713054.db2.gz OQAGENLPAQCEOV-LJISPDSOSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001374729315 965824608 /nfs/dbraw/zinc/82/46/08/965824608.db2.gz WFCLPUAUWHMCDC-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001376558454 965826036 /nfs/dbraw/zinc/82/60/36/965826036.db2.gz CRDMCOOPSJYXRS-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)CC1CC[NH+](C)CC1 ZINC001374757014 965873164 /nfs/dbraw/zinc/87/31/64/965873164.db2.gz QRJZWTFWMFUICL-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)CC1CC[NH+](C)CC1 ZINC001374757009 965873720 /nfs/dbraw/zinc/87/37/20/965873720.db2.gz QRJZWTFWMFUICL-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001376607436 965884412 /nfs/dbraw/zinc/88/44/12/965884412.db2.gz VTFLCXXUEBPIPT-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001374811879 965964928 /nfs/dbraw/zinc/96/49/28/965964928.db2.gz UXMALLCLMNROEQ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001374823530 965985011 /nfs/dbraw/zinc/98/50/11/965985011.db2.gz YHSPWLZRFTUADE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001376685974 965985489 /nfs/dbraw/zinc/98/54/89/965985489.db2.gz VRLQRYKVWHRNAJ-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001430607479 1013620995 /nfs/dbraw/zinc/62/09/95/1013620995.db2.gz IJCOZHAAKKEVAY-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001430607479 1013620997 /nfs/dbraw/zinc/62/09/97/1013620997.db2.gz IJCOZHAAKKEVAY-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)N(C)C ZINC001376740342 966101023 /nfs/dbraw/zinc/10/10/23/966101023.db2.gz AEEBQQXTAREHLO-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(=O)N(C)C ZINC001376740342 966101028 /nfs/dbraw/zinc/10/10/28/966101028.db2.gz AEEBQQXTAREHLO-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nccc1CN[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370661418 966346139 /nfs/dbraw/zinc/34/61/39/966346139.db2.gz AMYDSIMGZYUVAC-BETUJISGSA-N 1 3 305.426 0.499 20 0 DCADHO C[C@@H]([NH2+]CC(=O)NCC1CC1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001381390428 966371135 /nfs/dbraw/zinc/37/11/35/966371135.db2.gz MHNFBGKYZWSHBA-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001381484665 966452848 /nfs/dbraw/zinc/45/28/48/966452848.db2.gz HCKAYTSLLSFJLR-ZQDZILKHSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001381484665 966452854 /nfs/dbraw/zinc/45/28/54/966452854.db2.gz HCKAYTSLLSFJLR-ZQDZILKHSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001371180183 966787224 /nfs/dbraw/zinc/78/72/24/966787224.db2.gz RJGZRWLUBFVYPX-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC001381989069 966846683 /nfs/dbraw/zinc/84/66/83/966846683.db2.gz MEZOSXPAVORBFA-CYBMUJFWSA-N 1 3 312.458 0.515 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC001381989069 966846688 /nfs/dbraw/zinc/84/66/88/966846688.db2.gz MEZOSXPAVORBFA-CYBMUJFWSA-N 1 3 312.458 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001382014330 966866856 /nfs/dbraw/zinc/86/68/56/966866856.db2.gz SENUVIROXWYMIW-CTYIDZIISA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCC(=O)N1CCC1 ZINC001382101141 966940006 /nfs/dbraw/zinc/94/00/06/966940006.db2.gz VTZBGUGCKBRFKT-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NC2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001382279651 967160097 /nfs/dbraw/zinc/16/00/97/967160097.db2.gz AZOBHKCHCHVESI-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001382302810 967188005 /nfs/dbraw/zinc/18/80/05/967188005.db2.gz KTGNWXKXWFCHGJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)CN1C(=O)CN1CCCC1 ZINC001382316140 967210724 /nfs/dbraw/zinc/21/07/24/967210724.db2.gz QWKJDBQFRBXHSB-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC001371818288 967364773 /nfs/dbraw/zinc/36/47/73/967364773.db2.gz PCYTZUDSOAOMFA-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C[C@H]1CCCCO1 ZINC001382461756 967406366 /nfs/dbraw/zinc/40/63/66/967406366.db2.gz CBKVXFMGZOYKCS-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)CCO[C@@H]1CC1(F)F ZINC001372163522 967701786 /nfs/dbraw/zinc/70/17/86/967701786.db2.gz XGCUQMKKPCNJQY-CYBMUJFWSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CCC[C@H]1C ZINC001448087264 1013744388 /nfs/dbraw/zinc/74/43/88/1013744388.db2.gz FGFZFMVTXBDSBZ-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001372295473 967856964 /nfs/dbraw/zinc/85/69/64/967856964.db2.gz WKDAFLKQOYLPBW-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001372559832 968122014 /nfs/dbraw/zinc/12/20/14/968122014.db2.gz QIWPQZPSFSAXRW-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001372559832 968122017 /nfs/dbraw/zinc/12/20/17/968122017.db2.gz QIWPQZPSFSAXRW-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@H](NCCN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001372935566 968543708 /nfs/dbraw/zinc/54/37/08/968543708.db2.gz KBLBTLUKVWDXPU-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@@H]2CCNC2=O)CC1 ZINC001372989909 968603529 /nfs/dbraw/zinc/60/35/29/968603529.db2.gz WFAZZRUXPALYND-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCCN2C)CC1 ZINC001373260576 968865879 /nfs/dbraw/zinc/86/58/79/968865879.db2.gz UGKHRUSGZFCZEZ-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCCC[C@H](CN[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001448255628 1013847232 /nfs/dbraw/zinc/84/72/32/1013847232.db2.gz ARIOZTVEQMCVQH-ZIAGYGMSSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001373572883 969247227 /nfs/dbraw/zinc/24/72/27/969247227.db2.gz KMSMHFKXFVFQCL-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001373572883 969247236 /nfs/dbraw/zinc/24/72/36/969247236.db2.gz KMSMHFKXFVFQCL-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001448510116 1013936283 /nfs/dbraw/zinc/93/62/83/1013936283.db2.gz MVGDIJBPFNZEHY-HDJSIYSDSA-N 1 3 307.442 0.746 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001448771582 1014032603 /nfs/dbraw/zinc/03/26/03/1014032603.db2.gz FTHJOHIZXNCUCF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1cc([C@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@@H]2[NH3+])cn1 ZINC001549051072 1014123442 /nfs/dbraw/zinc/12/34/42/1014123442.db2.gz SGBIHPDVNSLODP-CVEARBPZSA-N 1 3 311.389 0.590 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001522464227 1014129412 /nfs/dbraw/zinc/12/94/12/1014129412.db2.gz FMQRALXNFCVYLN-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH2+]C3)C2)nn1 ZINC001549286954 1014194355 /nfs/dbraw/zinc/19/43/55/1014194355.db2.gz ILIPTUQMZJZBDA-TZMCWYRMSA-N 1 3 306.414 0.290 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001549294800 1014202081 /nfs/dbraw/zinc/20/20/81/1014202081.db2.gz IGJKREFYEDUSKO-ZDUSSCGKSA-N 1 3 319.396 0.976 20 0 DCADHO COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001449136587 1014227499 /nfs/dbraw/zinc/22/74/99/1014227499.db2.gz RXDJAJYLYFKBCD-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO O=C(Nc1cn[nH]c1[C@H]1CC[NH2+]C1)[C@@H]1CCn2ccnc2C1 ZINC001549738144 1014435719 /nfs/dbraw/zinc/43/57/19/1014435719.db2.gz RQQOVVOIGFNZCM-MNOVXSKESA-N 1 3 300.366 0.884 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001449392568 1014454195 /nfs/dbraw/zinc/45/41/95/1014454195.db2.gz GCDGQOKQNWYWNU-GRTSSRMGSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C ZINC001528929960 1014459999 /nfs/dbraw/zinc/45/99/99/1014459999.db2.gz DGIUJTMMWFONKN-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)C1CC[NH+](C)CC1 ZINC001522953158 1014486466 /nfs/dbraw/zinc/48/64/66/1014486466.db2.gz WRUUCAWKRXUEKA-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)CN1CCCC1 ZINC001529113513 1014498852 /nfs/dbraw/zinc/49/88/52/1014498852.db2.gz DRWIQSKARSLRCT-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)CN1CCCC1 ZINC001529113513 1014498861 /nfs/dbraw/zinc/49/88/61/1014498861.db2.gz DRWIQSKARSLRCT-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN1CC[C@H](N2CCC(NC(=O)c3ccc(C[NH3+])o3)CC2)C1=O ZINC001550093168 1014564259 /nfs/dbraw/zinc/56/42/59/1014564259.db2.gz YYYSGVGDBPFCME-ZDUSSCGKSA-N 1 3 320.393 0.163 20 0 DCADHO C[C@@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]C1 ZINC001550194850 1014621138 /nfs/dbraw/zinc/62/11/38/1014621138.db2.gz FDWFEUSLFDHGER-MRXNPFEDSA-N 1 3 322.453 0.318 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)CNC(=O)[C@H](N)C(C)C)CC1 ZINC001550228338 1014632781 /nfs/dbraw/zinc/63/27/81/1014632781.db2.gz HUZQNEGQRGZBFM-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO COC1CCN(CCNC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001550282809 1014648594 /nfs/dbraw/zinc/64/85/94/1014648594.db2.gz QYKKWILXGIROEJ-GOOCMWNKSA-N 1 3 324.469 0.927 20 0 DCADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)CN1CCCC1 ZINC001523647675 1014728964 /nfs/dbraw/zinc/72/89/64/1014728964.db2.gz JZEDEGROEFBPIW-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001530453233 1014758137 /nfs/dbraw/zinc/75/81/37/1014758137.db2.gz GTKFGWLAYQALSB-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001530453233 1014758145 /nfs/dbraw/zinc/75/81/45/1014758145.db2.gz GTKFGWLAYQALSB-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1cc(CN[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)nc(C)n1 ZINC001550913823 1014911537 /nfs/dbraw/zinc/91/15/37/1014911537.db2.gz PJSXEUHCHJYGPW-DOTOQJQBSA-N 1 3 317.437 0.830 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001450374849 1015097207 /nfs/dbraw/zinc/09/72/07/1015097207.db2.gz QRARQWZWVVGKTO-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001450374849 1015097219 /nfs/dbraw/zinc/09/72/19/1015097219.db2.gz QRARQWZWVVGKTO-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001383964942 985227263 /nfs/dbraw/zinc/22/72/63/985227263.db2.gz BZYUBPURMQYYFM-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001385330931 986258507 /nfs/dbraw/zinc/25/85/07/986258507.db2.gz CFQNJYVBSSTRLD-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385623990 986479364 /nfs/dbraw/zinc/47/93/64/986479364.db2.gz VXYNRDJEFCNJKG-UKRRQHHQSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001385753030 986571173 /nfs/dbraw/zinc/57/11/73/986571173.db2.gz HJEUHGRURSDUGK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001385753030 986571179 /nfs/dbraw/zinc/57/11/79/986571179.db2.gz HJEUHGRURSDUGK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001386397606 987124480 /nfs/dbraw/zinc/12/44/80/987124480.db2.gz JDSJVZLWNXKUJE-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001386397606 987124483 /nfs/dbraw/zinc/12/44/83/987124483.db2.gz JDSJVZLWNXKUJE-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001532236288 1015319115 /nfs/dbraw/zinc/31/91/15/1015319115.db2.gz KNKKMVXQBDFGTL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001532236288 1015319124 /nfs/dbraw/zinc/31/91/24/1015319124.db2.gz KNKKMVXQBDFGTL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001387238088 987725232 /nfs/dbraw/zinc/72/52/32/987725232.db2.gz AENRLYXGIHMSPX-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001387238088 987725235 /nfs/dbraw/zinc/72/52/35/987725235.db2.gz AENRLYXGIHMSPX-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001387972764 988341498 /nfs/dbraw/zinc/34/14/98/988341498.db2.gz KMUDBAMTGAMSKW-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001388551808 988400242 /nfs/dbraw/zinc/40/02/42/988400242.db2.gz SOPVKFUTAVHTGI-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)CC[NH+](C)C ZINC001388853047 988629406 /nfs/dbraw/zinc/62/94/06/988629406.db2.gz VFIKENCWTYJKLY-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001389231944 989006971 /nfs/dbraw/zinc/00/69/71/989006971.db2.gz ZDSZEEWKFGYIRU-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO [NH3+][C@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@@H]1n1ccnn1 ZINC001552679609 1015487754 /nfs/dbraw/zinc/48/77/54/1015487754.db2.gz GYKLXCVYGDXFQS-QWRGUYRKSA-N 1 3 318.406 0.010 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCN1 ZINC001552692425 1015492859 /nfs/dbraw/zinc/49/28/59/1015492859.db2.gz CIQGWEUCWCLKIP-AWEZNQCLSA-N 1 3 305.426 0.947 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001389863053 989646233 /nfs/dbraw/zinc/64/62/33/989646233.db2.gz SLZSQXDJAGLSLC-IHRRRGAJSA-N 1 3 320.441 0.426 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001389863053 989646235 /nfs/dbraw/zinc/64/62/35/989646235.db2.gz SLZSQXDJAGLSLC-IHRRRGAJSA-N 1 3 320.441 0.426 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)N(C)C ZINC001389964194 989715153 /nfs/dbraw/zinc/71/51/53/989715153.db2.gz ZLRHSNMMVZYIFE-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001390088428 989809873 /nfs/dbraw/zinc/80/98/73/989809873.db2.gz RALNYKSHMRDPRL-HNNXBMFYSA-N 1 3 312.458 0.194 20 0 DCADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)CC[NH+](C)C)C2)CCC1 ZINC001390129363 989849853 /nfs/dbraw/zinc/84/98/53/989849853.db2.gz WOMWASOLDKHBHN-UHFFFAOYSA-N 1 3 310.442 0.092 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001390134489 989856348 /nfs/dbraw/zinc/85/63/48/989856348.db2.gz BBWGZAGYJXBKNC-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001390134489 989856356 /nfs/dbraw/zinc/85/63/56/989856356.db2.gz BBWGZAGYJXBKNC-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CN1CCN([C@H]2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001552766694 1015518809 /nfs/dbraw/zinc/51/88/09/1015518809.db2.gz HERCWESWODRSQC-GJZGRUSLSA-N 1 3 309.458 0.112 20 0 DCADHO CN1CCN([C@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001552766694 1015518815 /nfs/dbraw/zinc/51/88/15/1015518815.db2.gz HERCWESWODRSQC-GJZGRUSLSA-N 1 3 309.458 0.112 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001390536515 990183445 /nfs/dbraw/zinc/18/34/45/990183445.db2.gz RQELFVLGJMEOFQ-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001390562974 990201051 /nfs/dbraw/zinc/20/10/51/990201051.db2.gz ALNQCOOQDWLCSO-ONGXEEELSA-N 1 3 320.315 0.456 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001390572793 990210893 /nfs/dbraw/zinc/21/08/93/990210893.db2.gz GIMYQFUDNKGIDE-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2cn(C)nn2)C1 ZINC001390610303 990243256 /nfs/dbraw/zinc/24/32/56/990243256.db2.gz ITYSCKQVUFFOTA-KGLIPLIRSA-N 1 3 322.457 0.674 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2cn(C)nn2)C1 ZINC001390610303 990243264 /nfs/dbraw/zinc/24/32/64/990243264.db2.gz ITYSCKQVUFFOTA-KGLIPLIRSA-N 1 3 322.457 0.674 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H](NCc2cn(C)nn2)C1 ZINC001390610290 990243431 /nfs/dbraw/zinc/24/34/31/990243431.db2.gz ITYSCKQVUFFOTA-KBPBESRZSA-N 1 3 322.457 0.674 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H](NCc2cn(C)nn2)C1 ZINC001390610290 990243439 /nfs/dbraw/zinc/24/34/39/990243439.db2.gz ITYSCKQVUFFOTA-KBPBESRZSA-N 1 3 322.457 0.674 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccnn1C ZINC001390663406 990285612 /nfs/dbraw/zinc/28/56/12/990285612.db2.gz KUMLLSYXRVYBFL-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001391022316 990520412 /nfs/dbraw/zinc/52/04/12/990520412.db2.gz LNPLUEITHNGBTG-KGLIPLIRSA-N 1 3 320.441 0.155 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001391022316 990520414 /nfs/dbraw/zinc/52/04/14/990520414.db2.gz LNPLUEITHNGBTG-KGLIPLIRSA-N 1 3 320.441 0.155 20 0 DCADHO C[C@@H](NCCN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001391224111 990683071 /nfs/dbraw/zinc/68/30/71/990683071.db2.gz DDCPXOHVEHYWCR-GFCCVEGCSA-N 1 3 306.410 0.284 20 0 DCADHO CN(CCN1CC[NH+](CC2CC2)CC1)C(=O)CN(C)C1CCC1 ZINC001391326267 990747364 /nfs/dbraw/zinc/74/73/64/990747364.db2.gz BTCSMHHBICLZDM-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001391737373 991147546 /nfs/dbraw/zinc/14/75/46/991147546.db2.gz NBAVCEPHCDHLHO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001391737373 991147553 /nfs/dbraw/zinc/14/75/53/991147553.db2.gz NBAVCEPHCDHLHO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001391815423 991198900 /nfs/dbraw/zinc/19/89/00/991198900.db2.gz QRAZHMWCRJRUNJ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001391861007 991231858 /nfs/dbraw/zinc/23/18/58/991231858.db2.gz OZJLRDZCYNXNTF-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)nn1C ZINC001391926019 991297507 /nfs/dbraw/zinc/29/75/07/991297507.db2.gz STEUIHQFYJBHMO-ZDUSSCGKSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)nn1C ZINC001391936680 991306954 /nfs/dbraw/zinc/30/69/54/991306954.db2.gz PCYCDOPTIBVMSQ-ZIAGYGMSSA-N 1 3 321.469 0.912 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001392070271 991460895 /nfs/dbraw/zinc/46/08/95/991460895.db2.gz FXVILPHTZLVWIE-QWHCGFSZSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001392098868 991491318 /nfs/dbraw/zinc/49/13/18/991491318.db2.gz FETKONOUHAOSEB-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001392136535 991535058 /nfs/dbraw/zinc/53/50/58/991535058.db2.gz VLXMCNRXEDLOKF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001392138623 991537453 /nfs/dbraw/zinc/53/74/53/991537453.db2.gz OOJCRXGPOJAOTP-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1)CC(C)(C)C ZINC001392348142 991786140 /nfs/dbraw/zinc/78/61/40/991786140.db2.gz OUSQGTGXAWCXBC-CABCVRRESA-N 1 3 311.470 0.879 20 0 DCADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1)CC(C)(C)C ZINC001392348142 991786147 /nfs/dbraw/zinc/78/61/47/991786147.db2.gz OUSQGTGXAWCXBC-CABCVRRESA-N 1 3 311.470 0.879 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cnns1 ZINC001392349519 991788720 /nfs/dbraw/zinc/78/87/20/991788720.db2.gz WIJMPRFHLJFVLQ-DGCLKSJQSA-N 1 3 311.455 0.864 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCCCO2)CCC1 ZINC001392378835 991842538 /nfs/dbraw/zinc/84/25/38/991842538.db2.gz XWBOFLLKYCYITH-UONOGXRCSA-N 1 3 313.442 0.107 20 0 DCADHO Cc1nsc(C)c1CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001392390462 991861741 /nfs/dbraw/zinc/86/17/41/991861741.db2.gz GNVLHURPJFAMPM-GFCCVEGCSA-N 1 3 314.455 0.278 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392427714 991917347 /nfs/dbraw/zinc/91/73/47/991917347.db2.gz VEPSNRNXZUCZGV-GDBMZVCRSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392427714 991917354 /nfs/dbraw/zinc/91/73/54/991917354.db2.gz VEPSNRNXZUCZGV-GDBMZVCRSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001392429334 991917994 /nfs/dbraw/zinc/91/79/94/991917994.db2.gz QALIDDSTVHPSCM-HNNXBMFYSA-N 1 3 308.426 0.297 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001392453575 991948439 /nfs/dbraw/zinc/94/84/39/991948439.db2.gz PQNZKGDNAOWCRA-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001392770711 992372515 /nfs/dbraw/zinc/37/25/15/992372515.db2.gz DOYFAIWNNGGJNN-SMDDNHRTSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001393057720 992656268 /nfs/dbraw/zinc/65/62/68/992656268.db2.gz RKJCFXADNFEESO-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001393057758 992658073 /nfs/dbraw/zinc/65/80/73/992658073.db2.gz XXNSZHSETCJDBC-ZDUSSCGKSA-N 1 3 308.430 0.238 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001393057758 992658076 /nfs/dbraw/zinc/65/80/76/992658076.db2.gz XXNSZHSETCJDBC-ZDUSSCGKSA-N 1 3 308.430 0.238 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001393143640 992715451 /nfs/dbraw/zinc/71/54/51/992715451.db2.gz DKXXOBVHGLSRPL-KRWDZBQOSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1ncoc1CN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001393419643 992966304 /nfs/dbraw/zinc/96/63/04/992966304.db2.gz OKSUGXRRNRXEHT-OKILXGFUSA-N 1 3 306.410 0.825 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001393496260 993033297 /nfs/dbraw/zinc/03/32/97/993033297.db2.gz YMPRYCWCFAFFRP-KBUPBQIOSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001393620116 993133293 /nfs/dbraw/zinc/13/32/93/993133293.db2.gz SEDIRZFCUNMHBU-CABCVRRESA-N 1 3 324.469 0.372 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC2CCC2)CC1 ZINC001393762095 993233423 /nfs/dbraw/zinc/23/34/23/993233423.db2.gz CXDKJYWDUPULNF-HNNXBMFYSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCc1cncn1C ZINC001393986713 993393293 /nfs/dbraw/zinc/39/32/93/993393293.db2.gz FOXKMYUGEJRDKH-QWHCGFSZSA-N 1 3 305.426 0.499 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001394031179 993420518 /nfs/dbraw/zinc/42/05/18/993420518.db2.gz VYLLJJUWGXQHMY-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@@H](O)CN1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001394293889 993603959 /nfs/dbraw/zinc/60/39/59/993603959.db2.gz ZAZLPWROGGRPCY-KBPBESRZSA-N 1 3 315.458 0.162 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001394316873 993617425 /nfs/dbraw/zinc/61/74/25/993617425.db2.gz CJVYLMPMWVBSJK-ZQDZILKHSA-N 1 3 318.421 0.591 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001394316873 993617429 /nfs/dbraw/zinc/61/74/29/993617429.db2.gz CJVYLMPMWVBSJK-ZQDZILKHSA-N 1 3 318.421 0.591 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(CO)cc1 ZINC001399649955 993635665 /nfs/dbraw/zinc/63/56/65/993635665.db2.gz AHOMZPLMSSDJMI-MRXNPFEDSA-N 1 3 305.422 0.679 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(CO)cc1 ZINC001399649955 993635671 /nfs/dbraw/zinc/63/56/71/993635671.db2.gz AHOMZPLMSSDJMI-MRXNPFEDSA-N 1 3 305.422 0.679 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001394666756 993994651 /nfs/dbraw/zinc/99/46/51/993994651.db2.gz FTIQJBDIIHSZJT-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1[C@H](NCc2cncn2C)CCN1C(=O)CCC[NH+](C)C ZINC001394678687 994009697 /nfs/dbraw/zinc/00/96/97/994009697.db2.gz YEZLYXSSCUTNIF-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001394716810 994049008 /nfs/dbraw/zinc/04/90/08/994049008.db2.gz PZPSDJTYBYPXDX-CHWSQXEVSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001400040530 994093681 /nfs/dbraw/zinc/09/36/81/994093681.db2.gz QHHIFQIJHMDLSZ-CQSZACIVSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001400040530 994093686 /nfs/dbraw/zinc/09/36/86/994093686.db2.gz QHHIFQIJHMDLSZ-CQSZACIVSA-N 1 3 305.426 0.415 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001395379640 994619266 /nfs/dbraw/zinc/61/92/66/994619266.db2.gz OOHGHGZASVGQCD-QKDCVEJESA-N 1 3 324.469 0.101 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]1(C[NH2+]CC(N)=O)CCCC[C@@H]1C ZINC001401048929 995135567 /nfs/dbraw/zinc/13/55/67/995135567.db2.gz JEQRUDUDQQVOAR-BBRMVZONSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001401085949 995162268 /nfs/dbraw/zinc/16/22/68/995162268.db2.gz BLZVEVIYMNKJEC-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001396530654 995451511 /nfs/dbraw/zinc/45/15/11/995451511.db2.gz GLVJRCHPAGFOAS-BETUJISGSA-N 1 3 321.425 0.223 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001396917291 995681360 /nfs/dbraw/zinc/68/13/60/995681360.db2.gz DNCIOYCKMYWVRE-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001396917291 995681363 /nfs/dbraw/zinc/68/13/63/995681363.db2.gz DNCIOYCKMYWVRE-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001397129842 995813984 /nfs/dbraw/zinc/81/39/84/995813984.db2.gz FCJORVIKMQOGNY-AAVRWANBSA-N 1 3 312.458 0.321 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001397489131 996027259 /nfs/dbraw/zinc/02/72/59/996027259.db2.gz NXBWGSFUBNQSBC-OCCSQVGLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001397589345 996085629 /nfs/dbraw/zinc/08/56/29/996085629.db2.gz ANSYBMPHQYOMHK-VNHYZAJKSA-N 1 3 307.442 0.745 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397651885 996117511 /nfs/dbraw/zinc/11/75/11/996117511.db2.gz GJSWZONKGIUYEO-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397651885 996117516 /nfs/dbraw/zinc/11/75/16/996117516.db2.gz GJSWZONKGIUYEO-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001397732374 996148209 /nfs/dbraw/zinc/14/82/09/996148209.db2.gz OVPKYBVXAIQRRW-UHFFFAOYSA-N 1 3 321.425 0.638 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCc1cnn(C)c1 ZINC001397797991 996182548 /nfs/dbraw/zinc/18/25/48/996182548.db2.gz QBTTUQISXNQWGN-HIFRSBDPSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001398038332 996327673 /nfs/dbraw/zinc/32/76/73/996327673.db2.gz GTISOPCBYDENQP-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001398038332 996327682 /nfs/dbraw/zinc/32/76/82/996327682.db2.gz GTISOPCBYDENQP-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CN(C)C(=O)CCCC[NH+](C)C)N[C@H]1CCCNC1=O ZINC001507152018 1016035903 /nfs/dbraw/zinc/03/59/03/1016035903.db2.gz LEIPMOZJBUIVIC-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001398329628 996473848 /nfs/dbraw/zinc/47/38/48/996473848.db2.gz LPVOAHQFMPYDAK-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398329628 996473849 /nfs/dbraw/zinc/47/38/49/996473849.db2.gz LPVOAHQFMPYDAK-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CCCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001507163579 1016045247 /nfs/dbraw/zinc/04/52/47/1016045247.db2.gz MEDRGRYOYRPEQK-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001398770285 996680836 /nfs/dbraw/zinc/68/08/36/996680836.db2.gz RZRBONBMEFWNJN-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccnn2C)C1 ZINC001502752277 1016055233 /nfs/dbraw/zinc/05/52/33/1016055233.db2.gz XHRSHZAQWSILTH-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccnn2C)C1 ZINC001502752277 1016055250 /nfs/dbraw/zinc/05/52/50/1016055250.db2.gz XHRSHZAQWSILTH-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001398812542 996698446 /nfs/dbraw/zinc/69/84/46/996698446.db2.gz NCKIMSZDWAKRNI-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001398949400 996768432 /nfs/dbraw/zinc/76/84/32/996768432.db2.gz MFENZJGAGGVHSR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001398949400 996768435 /nfs/dbraw/zinc/76/84/35/996768435.db2.gz MFENZJGAGGVHSR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001404312311 996959074 /nfs/dbraw/zinc/95/90/74/996959074.db2.gz FXCXOCHYQKEDBD-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO COc1coc(CN[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001399098999 996960862 /nfs/dbraw/zinc/96/08/62/996960862.db2.gz DOUSKCIYQBPMCG-NEPJUHHUSA-N 1 3 323.393 0.194 20 0 DCADHO COc1coc(CN[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001399098999 996960873 /nfs/dbraw/zinc/96/08/73/996960873.db2.gz DOUSKCIYQBPMCG-NEPJUHHUSA-N 1 3 323.393 0.194 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCN(CC)C1=O ZINC001404325329 996981158 /nfs/dbraw/zinc/98/11/58/996981158.db2.gz OSVZXTJPHJMIBH-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCN(CC)C1=O ZINC001404325329 996981172 /nfs/dbraw/zinc/98/11/72/996981172.db2.gz OSVZXTJPHJMIBH-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001399114138 996981342 /nfs/dbraw/zinc/98/13/42/996981342.db2.gz MEMKJABKWFLGST-LBPRGKRZSA-N 1 3 305.426 0.419 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001399114267 996985558 /nfs/dbraw/zinc/98/55/58/996985558.db2.gz MNQHJGDXKCZPOQ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001404337129 997007196 /nfs/dbraw/zinc/00/71/96/997007196.db2.gz WZGBMPQLMYIUGI-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001404337129 997007203 /nfs/dbraw/zinc/00/72/03/997007203.db2.gz WZGBMPQLMYIUGI-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001399160006 997037811 /nfs/dbraw/zinc/03/78/11/997037811.db2.gz KLECCTKIQCHZKD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCCCC1 ZINC001399163195 997041659 /nfs/dbraw/zinc/04/16/59/997041659.db2.gz MYKWAPPZBPMWMP-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC001502829077 1016091956 /nfs/dbraw/zinc/09/19/56/1016091956.db2.gz NPVWBZOJTXBVJP-KBPBESRZSA-N 1 3 317.449 0.875 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC001502829077 1016091966 /nfs/dbraw/zinc/09/19/66/1016091966.db2.gz NPVWBZOJTXBVJP-KBPBESRZSA-N 1 3 317.449 0.875 20 0 DCADHO COc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)on1 ZINC001399236960 997110158 /nfs/dbraw/zinc/11/01/58/997110158.db2.gz CPUSBNDACVSJGR-CYBMUJFWSA-N 1 3 324.425 0.962 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001399243708 997118368 /nfs/dbraw/zinc/11/83/68/997118368.db2.gz NXOLGHNMSBCCCQ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001399256389 997131022 /nfs/dbraw/zinc/13/10/22/997131022.db2.gz XLHABRCERYEVSF-CYBMUJFWSA-N 1 3 321.425 0.163 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001399263955 997138449 /nfs/dbraw/zinc/13/84/49/997138449.db2.gz PMEFYCGGRGSLAQ-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCn2cncn2)C1 ZINC001404565858 997242126 /nfs/dbraw/zinc/24/21/26/997242126.db2.gz FDZDFGQAVDBVDC-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001404565858 997242132 /nfs/dbraw/zinc/24/21/32/997242132.db2.gz FDZDFGQAVDBVDC-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001503285673 1016157284 /nfs/dbraw/zinc/15/72/84/1016157284.db2.gz LATAIDWHCRVPMY-REWJHTLYSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001503285673 1016157288 /nfs/dbraw/zinc/15/72/88/1016157288.db2.gz LATAIDWHCRVPMY-REWJHTLYSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)NCC(=O)NC ZINC001405260697 998024350 /nfs/dbraw/zinc/02/43/50/998024350.db2.gz IYANEHQKNNNYSO-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)NCC(=O)NC ZINC001405260697 998024361 /nfs/dbraw/zinc/02/43/61/998024361.db2.gz IYANEHQKNNNYSO-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001405290623 998067423 /nfs/dbraw/zinc/06/74/23/998067423.db2.gz LWTLGJOZMRZZLM-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001405378633 998170379 /nfs/dbraw/zinc/17/03/79/998170379.db2.gz XSMKPZXLZVBLGM-ZIAGYGMSSA-N 1 3 322.457 0.590 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCC2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001405581453 998352408 /nfs/dbraw/zinc/35/24/08/998352408.db2.gz PFLCUQIZZDELKZ-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCC2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001405581453 998352419 /nfs/dbraw/zinc/35/24/19/998352419.db2.gz PFLCUQIZZDELKZ-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001405686484 998471188 /nfs/dbraw/zinc/47/11/88/998471188.db2.gz CGIXHNCTVVUTND-ZDUSSCGKSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)CCC[NH+](C)C ZINC001507291528 1016222732 /nfs/dbraw/zinc/22/27/32/1016222732.db2.gz WBQQADLAOVCHQX-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001505537564 1016291703 /nfs/dbraw/zinc/29/17/03/1016291703.db2.gz DGYSKGODPBJFJV-OPFPJEHXSA-N 1 3 324.469 0.478 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001507435865 1016327706 /nfs/dbraw/zinc/32/77/06/1016327706.db2.gz ZZVMVLMNWLAHPX-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001401238832 1000298058 /nfs/dbraw/zinc/29/80/58/1000298058.db2.gz AQYWFAAYOIWDLF-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401257257 1000313336 /nfs/dbraw/zinc/31/33/36/1000313336.db2.gz QWHVMSVNEACXIS-CYBMUJFWSA-N 1 3 319.453 0.761 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001418645702 1000418635 /nfs/dbraw/zinc/41/86/35/1000418635.db2.gz HSZXPDGGSKUWAZ-OTVXOJSOSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCO)[C@H]2C1(C)C ZINC001418755901 1000495463 /nfs/dbraw/zinc/49/54/63/1000495463.db2.gz YYYFGECIHNQZLF-FVQBIDKESA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCO)[C@H]2C1(C)C ZINC001418755901 1000495468 /nfs/dbraw/zinc/49/54/68/1000495468.db2.gz YYYFGECIHNQZLF-FVQBIDKESA-N 1 3 311.470 0.924 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)N(C)C ZINC001418823739 1000550570 /nfs/dbraw/zinc/55/05/70/1000550570.db2.gz NABVDJFUELOXFA-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001401634096 1000571868 /nfs/dbraw/zinc/57/18/68/1000571868.db2.gz ODIVWABVOMHYGK-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001401718859 1000655631 /nfs/dbraw/zinc/65/56/31/1000655631.db2.gz GNMCYWMBSBOHCK-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CCCN(C)CC(=O)NCC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001419040976 1000713574 /nfs/dbraw/zinc/71/35/74/1000713574.db2.gz HMEFIELAWYHLCG-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](CN(C)CCO)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001401780569 1000718761 /nfs/dbraw/zinc/71/87/61/1000718761.db2.gz QZPWHQOSZZIVGE-OIISXLGYSA-N 1 3 319.449 0.761 20 0 DCADHO C[C@H](CN(C)CCO)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001401780569 1000718764 /nfs/dbraw/zinc/71/87/64/1000718764.db2.gz QZPWHQOSZZIVGE-OIISXLGYSA-N 1 3 319.449 0.761 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnn(C)c1 ZINC001419190095 1000864581 /nfs/dbraw/zinc/86/45/81/1000864581.db2.gz BJJAOWSMUXLLNF-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)CC ZINC001419201697 1000876247 /nfs/dbraw/zinc/87/62/47/1000876247.db2.gz SZLNNYWXAZAMFU-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402039326 1000965163 /nfs/dbraw/zinc/96/51/63/1000965163.db2.gz LCHNCBGTRSHIPF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001402050871 1000975342 /nfs/dbraw/zinc/97/53/42/1000975342.db2.gz IDFFONHBESWNIV-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001419382671 1001013374 /nfs/dbraw/zinc/01/33/74/1001013374.db2.gz IXTFLHSLJVUSQN-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001419383490 1001013492 /nfs/dbraw/zinc/01/34/92/1001013492.db2.gz NSTZVBPGHGDNGJ-RYUDHWBXSA-N 1 3 323.359 0.586 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001402112169 1001023435 /nfs/dbraw/zinc/02/34/35/1001023435.db2.gz CBIGUDLMJONXGC-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001402112169 1001023439 /nfs/dbraw/zinc/02/34/39/1001023439.db2.gz CBIGUDLMJONXGC-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001419419914 1001035678 /nfs/dbraw/zinc/03/56/78/1001035678.db2.gz SZTOYSTXWHUWBG-HDJSIYSDSA-N 1 3 306.410 0.779 20 0 DCADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001402175384 1001084992 /nfs/dbraw/zinc/08/49/92/1001084992.db2.gz YGYABIFYXLNSDN-SQWLQELKSA-N 1 3 315.458 0.162 20 0 DCADHO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC001402270344 1001159340 /nfs/dbraw/zinc/15/93/40/1001159340.db2.gz VIYJOYUXMVAOID-RDJZCZTQSA-N 1 3 318.421 0.229 20 0 DCADHO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001402270344 1001159348 /nfs/dbraw/zinc/15/93/48/1001159348.db2.gz VIYJOYUXMVAOID-RDJZCZTQSA-N 1 3 318.421 0.229 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001419658918 1001204000 /nfs/dbraw/zinc/20/40/00/1001204000.db2.gz YDEQTPKMVMLLJC-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001419679419 1001216552 /nfs/dbraw/zinc/21/65/52/1001216552.db2.gz GQTUJFXOLUYWES-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001419720459 1001249924 /nfs/dbraw/zinc/24/99/24/1001249924.db2.gz MATDALLWSADENN-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2nncn2C)C1 ZINC001402438306 1001306965 /nfs/dbraw/zinc/30/69/65/1001306965.db2.gz UJPXXQQXIZVUPA-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2nncn2C)C1 ZINC001402438306 1001306969 /nfs/dbraw/zinc/30/69/69/1001306969.db2.gz UJPXXQQXIZVUPA-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001402436515 1001307232 /nfs/dbraw/zinc/30/72/32/1001307232.db2.gz MPBZZEIEMMZPHE-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO COc1ncc(CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001402512821 1001372039 /nfs/dbraw/zinc/37/20/39/1001372039.db2.gz SQOBITMVAUAAPH-HDJSIYSDSA-N 1 3 321.425 0.482 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419881391 1001381992 /nfs/dbraw/zinc/38/19/92/1001381992.db2.gz VXXRIPOHGRHYAM-OLZOCXBDSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccnn1C ZINC001419903495 1001397903 /nfs/dbraw/zinc/39/79/03/1001397903.db2.gz MRAJYOGVFPBZDO-INIZCTEOSA-N 1 3 321.469 0.992 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001402585860 1001424056 /nfs/dbraw/zinc/42/40/56/1001424056.db2.gz KDTAQPQSTXKRBY-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001402585860 1001424058 /nfs/dbraw/zinc/42/40/58/1001424058.db2.gz KDTAQPQSTXKRBY-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001402607394 1001438948 /nfs/dbraw/zinc/43/89/48/1001438948.db2.gz MQIBXJJPYCRACU-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001402832006 1001522682 /nfs/dbraw/zinc/52/26/82/1001522682.db2.gz XJPBMDFSOGCPLQ-YMAMQOFZSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001402881708 1001554290 /nfs/dbraw/zinc/55/42/90/1001554290.db2.gz ADRQYUZDXKDTAY-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001402881708 1001554295 /nfs/dbraw/zinc/55/42/95/1001554295.db2.gz ADRQYUZDXKDTAY-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccnn1C ZINC001402895846 1001562467 /nfs/dbraw/zinc/56/24/67/1001562467.db2.gz VZKBFSLGDFXBPI-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccnn1C ZINC001402895846 1001562469 /nfs/dbraw/zinc/56/24/69/1001562469.db2.gz VZKBFSLGDFXBPI-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001402919079 1001578963 /nfs/dbraw/zinc/57/89/63/1001578963.db2.gz FVAWXPBWJNKREL-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001402973150 1001611667 /nfs/dbraw/zinc/61/16/67/1001611667.db2.gz CIKIKVLRUIQTOW-RYUDHWBXSA-N 1 3 310.442 0.090 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001402987413 1001620200 /nfs/dbraw/zinc/62/02/00/1001620200.db2.gz NTOXKWDOGUDYDN-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001402987413 1001620201 /nfs/dbraw/zinc/62/02/01/1001620201.db2.gz NTOXKWDOGUDYDN-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCCC1 ZINC001403006937 1001628778 /nfs/dbraw/zinc/62/87/78/1001628778.db2.gz FARGRFIEQGJSNR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCCC1 ZINC001403006937 1001628781 /nfs/dbraw/zinc/62/87/81/1001628781.db2.gz FARGRFIEQGJSNR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCN(C)C(=O)CCC[NH+](C)C)C[C@H]1CCc2ncnn21 ZINC001420018265 1001765228 /nfs/dbraw/zinc/76/52/28/1001765228.db2.gz UBTNLWVFKATMNS-CQSZACIVSA-N 1 3 322.457 0.497 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)CCC1 ZINC001403383823 1001912083 /nfs/dbraw/zinc/91/20/83/1001912083.db2.gz IGTPJFLDIFTVLU-FPCVCCKLSA-N 1 3 321.465 0.801 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)CCC1 ZINC001403383823 1001912092 /nfs/dbraw/zinc/91/20/92/1001912092.db2.gz IGTPJFLDIFTVLU-FPCVCCKLSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]([NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001505780388 1016552913 /nfs/dbraw/zinc/55/29/13/1016552913.db2.gz FXCMRXQMWPGHME-DNOWBOINSA-N 1 3 324.469 0.704 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001403475961 1002008565 /nfs/dbraw/zinc/00/85/65/1002008565.db2.gz AHMLRFMTLOOUJP-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001403475961 1002008577 /nfs/dbraw/zinc/00/85/77/1002008577.db2.gz AHMLRFMTLOOUJP-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)OCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507729709 1016558399 /nfs/dbraw/zinc/55/83/99/1016558399.db2.gz YMNWOUUJSOMYBG-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)OCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507729709 1016558417 /nfs/dbraw/zinc/55/84/17/1016558417.db2.gz YMNWOUUJSOMYBG-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001424816865 1002057756 /nfs/dbraw/zinc/05/77/56/1002057756.db2.gz FRTDYDPTIJSEFP-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CC[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001420228343 1002077965 /nfs/dbraw/zinc/07/79/65/1002077965.db2.gz NCPBUHXHNNLJCO-OLZOCXBDSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N1CCC1 ZINC001403572751 1002156750 /nfs/dbraw/zinc/15/67/50/1002156750.db2.gz AIWMPARHPKNALB-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001420375569 1002300793 /nfs/dbraw/zinc/30/07/93/1002300793.db2.gz FPFLYJAUPPFERD-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CCn1cncn1 ZINC001420419036 1002389070 /nfs/dbraw/zinc/38/90/70/1002389070.db2.gz AEEMDSRBEGGFEK-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)CCn1cncn1 ZINC001420419036 1002389080 /nfs/dbraw/zinc/38/90/80/1002389080.db2.gz AEEMDSRBEGGFEK-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO Cc1cccc(C[NH2+][C@H](CO)CNC(=O)CN(C)C(C)C)c1 ZINC001403747064 1002462368 /nfs/dbraw/zinc/46/23/68/1002462368.db2.gz IRPWOWVZBOWCAY-INIZCTEOSA-N 1 3 307.438 0.902 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@H]1C ZINC001403749649 1002465606 /nfs/dbraw/zinc/46/56/06/1002465606.db2.gz LYCRUGJPEPPALT-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@H]1C ZINC001403749649 1002465608 /nfs/dbraw/zinc/46/56/08/1002465608.db2.gz LYCRUGJPEPPALT-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001403793202 1002528013 /nfs/dbraw/zinc/52/80/13/1002528013.db2.gz UCNGSKKPIGGNDP-QLFBSQMISA-N 1 3 324.469 0.289 20 0 DCADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403875017 1002665646 /nfs/dbraw/zinc/66/56/46/1002665646.db2.gz DVOQFVAWBXUNDU-GDBMZVCRSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403875017 1002665651 /nfs/dbraw/zinc/66/56/51/1002665651.db2.gz DVOQFVAWBXUNDU-GDBMZVCRSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403875022 1002665808 /nfs/dbraw/zinc/66/58/08/1002665808.db2.gz DVOQFVAWBXUNDU-GOEBONIOSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403875022 1002665812 /nfs/dbraw/zinc/66/58/12/1002665812.db2.gz DVOQFVAWBXUNDU-GOEBONIOSA-N 1 3 320.437 0.332 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(N)=O ZINC001425587952 1002854182 /nfs/dbraw/zinc/85/41/82/1002854182.db2.gz BGFNJEKKOWPEMG-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001420728667 1002873093 /nfs/dbraw/zinc/87/30/93/1002873093.db2.gz KRYMJHMJOMKFQX-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](NCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001420730661 1002875816 /nfs/dbraw/zinc/87/58/16/1002875816.db2.gz KMVVRGKLOUDQSI-HNNXBMFYSA-N 1 3 320.437 0.674 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001425608602 1002885997 /nfs/dbraw/zinc/88/59/97/1002885997.db2.gz AOMLHQVYQYAZGF-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001420739421 1002899407 /nfs/dbraw/zinc/89/94/07/1002899407.db2.gz GBLQGKXTSBQDRO-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2cncn2C)C2CC2)C1 ZINC001420759218 1002920576 /nfs/dbraw/zinc/92/05/76/1002920576.db2.gz GJKXEGKEMMORPB-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cccn1 ZINC001425650084 1002925974 /nfs/dbraw/zinc/92/59/74/1002925974.db2.gz HKUUTNZMYZHICT-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCCCO2)CCC1 ZINC001425749893 1003051812 /nfs/dbraw/zinc/05/18/12/1003051812.db2.gz FSHRQTLOLRJZQN-KGLIPLIRSA-N 1 3 313.442 0.107 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2ccc(CF)cc2)C1 ZINC001425838068 1003168042 /nfs/dbraw/zinc/16/80/42/1003168042.db2.gz KNSFYBGBWCUIRQ-HZPDHXFCSA-N 1 3 323.412 0.675 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2ccc(CF)cc2)C1 ZINC001425838068 1003168045 /nfs/dbraw/zinc/16/80/45/1003168045.db2.gz KNSFYBGBWCUIRQ-HZPDHXFCSA-N 1 3 323.412 0.675 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001421040727 1003261481 /nfs/dbraw/zinc/26/14/81/1003261481.db2.gz SRGGDAASILEXJV-PBHICJAKSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C(C)C)N(C)C ZINC001406062534 1003312504 /nfs/dbraw/zinc/31/25/04/1003312504.db2.gz JCCHXNNNHPOKCG-STQMWFEESA-N 1 3 300.447 0.145 20 0 DCADHO Cc1ncc(CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)s1 ZINC001426020571 1003340120 /nfs/dbraw/zinc/34/01/20/1003340120.db2.gz CNCITVMBBDHZCF-GFCCVEGCSA-N 1 3 314.455 0.312 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001421119022 1003340687 /nfs/dbraw/zinc/34/06/87/1003340687.db2.gz AFFMBZAMGCFSPH-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)Cc1c[nH]cn1 ZINC001426035839 1003367036 /nfs/dbraw/zinc/36/70/36/1003367036.db2.gz QAOWIFPIOVICSG-KGLIPLIRSA-N 1 3 324.425 0.176 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1CCc2ncnn21)C(=O)[C@H]1CCCN1C ZINC001406124446 1003395542 /nfs/dbraw/zinc/39/55/42/1003395542.db2.gz KZZLWDVSKVTBCK-UONOGXRCSA-N 1 3 320.441 0.250 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)[C@H]1CCCN1C ZINC001406124446 1003395549 /nfs/dbraw/zinc/39/55/49/1003395549.db2.gz KZZLWDVSKVTBCK-UONOGXRCSA-N 1 3 320.441 0.250 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001406317386 1003599129 /nfs/dbraw/zinc/59/91/29/1003599129.db2.gz BTQLQZLBCHJSJV-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406334923 1003616472 /nfs/dbraw/zinc/61/64/72/1003616472.db2.gz CNAAFZJVWNGQAZ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406334923 1003616475 /nfs/dbraw/zinc/61/64/75/1003616475.db2.gz CNAAFZJVWNGQAZ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001406362208 1003640787 /nfs/dbraw/zinc/64/07/87/1003640787.db2.gz QRKWRZYCDWWGSW-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001406478295 1003751786 /nfs/dbraw/zinc/75/17/86/1003751786.db2.gz AVTKZQOIKMLERU-WFASDCNBSA-N 1 3 324.473 0.787 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001428205617 1003764288 /nfs/dbraw/zinc/76/42/88/1003764288.db2.gz DFLGWGOSTOZSLG-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001428205617 1003764294 /nfs/dbraw/zinc/76/42/94/1003764294.db2.gz DFLGWGOSTOZSLG-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1)C(N)=O ZINC001406510288 1003773735 /nfs/dbraw/zinc/77/37/35/1003773735.db2.gz AEKHNZZROJYUNG-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1)C(N)=O ZINC001406510288 1003773741 /nfs/dbraw/zinc/77/37/41/1003773741.db2.gz AEKHNZZROJYUNG-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001406767960 1004075066 /nfs/dbraw/zinc/07/50/66/1004075066.db2.gz CWNXTVOIFORDKX-CABCVRRESA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001406767960 1004075073 /nfs/dbraw/zinc/07/50/73/1004075073.db2.gz CWNXTVOIFORDKX-CABCVRRESA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001406767978 1004077180 /nfs/dbraw/zinc/07/71/80/1004077180.db2.gz CWNXTVOIFORDKX-HUUCEWRRSA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001406767978 1004077185 /nfs/dbraw/zinc/07/71/85/1004077185.db2.gz CWNXTVOIFORDKX-HUUCEWRRSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCc1cnn(C)c1 ZINC001506002105 1016858886 /nfs/dbraw/zinc/85/88/86/1016858886.db2.gz NXBOEKHEOPKBNW-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCc1cnn(C)c1 ZINC001506002105 1016858915 /nfs/dbraw/zinc/85/89/15/1016858915.db2.gz NXBOEKHEOPKBNW-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001407056851 1004341353 /nfs/dbraw/zinc/34/13/53/1004341353.db2.gz GRMRYIZZWLMYAI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001407056851 1004341364 /nfs/dbraw/zinc/34/13/64/1004341364.db2.gz GRMRYIZZWLMYAI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001407110364 1004392470 /nfs/dbraw/zinc/39/24/70/1004392470.db2.gz SLDSPGBKAVEXOC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001427465841 1004404360 /nfs/dbraw/zinc/40/43/60/1004404360.db2.gz SGCDQBCHJWKKDJ-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001427465841 1004404362 /nfs/dbraw/zinc/40/43/62/1004404362.db2.gz SGCDQBCHJWKKDJ-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H](F)CC[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001407356719 1004581760 /nfs/dbraw/zinc/58/17/60/1004581760.db2.gz ZSSUSQQOVUYNNX-HIFRSBDPSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001407356719 1004581767 /nfs/dbraw/zinc/58/17/67/1004581767.db2.gz ZSSUSQQOVUYNNX-HIFRSBDPSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407368019 1004597434 /nfs/dbraw/zinc/59/74/34/1004597434.db2.gz PDAHDNUPISPWFI-BLLLJJGKSA-N 1 3 308.426 0.860 20 0 DCADHO CC[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407368019 1004597436 /nfs/dbraw/zinc/59/74/36/1004597436.db2.gz PDAHDNUPISPWFI-BLLLJJGKSA-N 1 3 308.426 0.860 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001407543385 1004721362 /nfs/dbraw/zinc/72/13/62/1004721362.db2.gz PVCZOBDWIVBGPA-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001407746537 1004832884 /nfs/dbraw/zinc/83/28/84/1004832884.db2.gz CFQNJYVBSSTRLD-KKUMJFAQSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]Cc3cnn(C)c3)CCC2)C1 ZINC001407802700 1004871018 /nfs/dbraw/zinc/87/10/18/1004871018.db2.gz NNZUMZWYKRWHNX-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCC1 ZINC001407807996 1004874025 /nfs/dbraw/zinc/87/40/25/1004874025.db2.gz YWOPGWOSDLKFDF-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001473262804 1016915828 /nfs/dbraw/zinc/91/58/28/1016915828.db2.gz FBPUNUYUCIOCOA-ROUUACIJSA-N 1 3 324.513 0.667 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001473262804 1016915838 /nfs/dbraw/zinc/91/58/38/1016915838.db2.gz FBPUNUYUCIOCOA-ROUUACIJSA-N 1 3 324.513 0.667 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001407906540 1004936957 /nfs/dbraw/zinc/93/69/57/1004936957.db2.gz JGVXIIREWLDFSP-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001407906540 1004936961 /nfs/dbraw/zinc/93/69/61/1004936961.db2.gz JGVXIIREWLDFSP-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001408300663 1005148447 /nfs/dbraw/zinc/14/84/47/1005148447.db2.gz HHDUTHYLJIOHBC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001414558281 1005359716 /nfs/dbraw/zinc/35/97/16/1005359716.db2.gz FDFPIXFZFARUCC-RBSFLKMASA-N 1 3 310.442 0.585 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001414558281 1005359717 /nfs/dbraw/zinc/35/97/17/1005359717.db2.gz FDFPIXFZFARUCC-RBSFLKMASA-N 1 3 310.442 0.585 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001414776244 1005400331 /nfs/dbraw/zinc/40/03/31/1005400331.db2.gz SCNROBIYDIQNSF-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001414776244 1005400333 /nfs/dbraw/zinc/40/03/33/1005400333.db2.gz SCNROBIYDIQNSF-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001414780605 1005401179 /nfs/dbraw/zinc/40/11/79/1005401179.db2.gz FTMUJPMAUWEAKY-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001414780605 1005401182 /nfs/dbraw/zinc/40/11/82/1005401182.db2.gz FTMUJPMAUWEAKY-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001415324023 1005502517 /nfs/dbraw/zinc/50/25/17/1005502517.db2.gz IEAIQTCUNGSMCB-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001415324023 1005502520 /nfs/dbraw/zinc/50/25/20/1005502520.db2.gz IEAIQTCUNGSMCB-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001415966077 1005636817 /nfs/dbraw/zinc/63/68/17/1005636817.db2.gz URUIUISCOHXQIC-LBPRGKRZSA-N 1 3 307.398 0.011 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001416488040 1005705846 /nfs/dbraw/zinc/70/58/46/1005705846.db2.gz YSPVLPNZVWWGBW-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001417842064 1005901523 /nfs/dbraw/zinc/90/15/23/1005901523.db2.gz WPLYQAAOSBFAHT-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN2CC[NH+](CC3CCC3)CC2)C1 ZINC001417925854 1005927645 /nfs/dbraw/zinc/92/76/45/1005927645.db2.gz VHQCVMNIMSLIEL-INIZCTEOSA-N 1 3 322.497 0.862 20 0 DCADHO CNC(=O)[C@H](C)N1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001417960850 1005940625 /nfs/dbraw/zinc/94/06/25/1005940625.db2.gz JTMVIXLGOXNEBH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)C1=O ZINC001418075488 1006009319 /nfs/dbraw/zinc/00/93/19/1006009319.db2.gz QBJWKUGONJEEHO-TUVASFSCSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438678893 1006021878 /nfs/dbraw/zinc/02/18/78/1006021878.db2.gz ZSGVGBVHLOFLHA-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438713691 1006059655 /nfs/dbraw/zinc/05/96/55/1006059655.db2.gz XIATWDJIKQGEQH-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438713691 1006059670 /nfs/dbraw/zinc/05/96/70/1006059670.db2.gz XIATWDJIKQGEQH-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001514719303 1017019953 /nfs/dbraw/zinc/01/99/53/1017019953.db2.gz CTXAIAUSGXYMBZ-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCCC2)C1 ZINC001438748580 1006093423 /nfs/dbraw/zinc/09/34/23/1006093423.db2.gz QCRQQQHUMGZOPD-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001418163165 1006118766 /nfs/dbraw/zinc/11/87/66/1006118766.db2.gz KXLOMUIWVMOZRT-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001418163346 1006119447 /nfs/dbraw/zinc/11/94/47/1006119447.db2.gz OSEFXWJEIPPTFP-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001436349535 1006134743 /nfs/dbraw/zinc/13/47/43/1006134743.db2.gz DAQNIAXGMWDZIY-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001436388924 1006156254 /nfs/dbraw/zinc/15/62/54/1006156254.db2.gz HFOIUKIOVVTUTF-JOCQHMNTSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001418232125 1006213066 /nfs/dbraw/zinc/21/30/66/1006213066.db2.gz BZPCJYPFXXUBAD-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N[C@@H](C)C(N)=O ZINC001418272942 1006282772 /nfs/dbraw/zinc/28/27/72/1006282772.db2.gz DDIHTOBTPWZXLW-STQMWFEESA-N 1 3 320.437 0.372 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001439000338 1006341011 /nfs/dbraw/zinc/34/10/11/1006341011.db2.gz LZHNURVTPOEWPK-VXGBXAGGSA-N 1 3 307.385 0.439 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001439000331 1006343596 /nfs/dbraw/zinc/34/35/96/1006343596.db2.gz LZHNURVTPOEWPK-NWDGAFQWSA-N 1 3 307.385 0.439 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC(=O)NC2CC2)C2CC2)C1 ZINC001436805685 1006379476 /nfs/dbraw/zinc/37/94/76/1006379476.db2.gz IQKHAJVNIPJGOF-IUODEOHRSA-N 1 3 322.453 0.091 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001436821326 1006391179 /nfs/dbraw/zinc/39/11/79/1006391179.db2.gz GRDDWXLCWREYRU-HNNXBMFYSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439043437 1006400891 /nfs/dbraw/zinc/40/08/91/1006400891.db2.gz CXWFURYCYAADFB-GOEBONIOSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439043437 1006400895 /nfs/dbraw/zinc/40/08/95/1006400895.db2.gz CXWFURYCYAADFB-GOEBONIOSA-N 1 3 320.437 0.299 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001418338100 1006401767 /nfs/dbraw/zinc/40/17/67/1006401767.db2.gz WCFSRAPKKRZHNU-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001418348048 1006412243 /nfs/dbraw/zinc/41/22/43/1006412243.db2.gz YEWPGEAVLSFYLL-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001439084925 1006451643 /nfs/dbraw/zinc/45/16/43/1006451643.db2.gz VGXFCXABXNUNQM-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001436959718 1006484387 /nfs/dbraw/zinc/48/43/87/1006484387.db2.gz KYNFJANMSFFLNY-VNHYZAJKSA-N 1 3 307.442 0.540 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001436996670 1006512964 /nfs/dbraw/zinc/51/29/64/1006512964.db2.gz BWQNZWDEHGJGFS-OAHLLOKOSA-N 1 3 322.457 0.448 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001436996670 1006512977 /nfs/dbraw/zinc/51/29/77/1006512977.db2.gz BWQNZWDEHGJGFS-OAHLLOKOSA-N 1 3 322.457 0.448 20 0 DCADHO CC[C@@H](F)CNC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001439164098 1006531382 /nfs/dbraw/zinc/53/13/82/1006531382.db2.gz PMEINPDCBMPKOJ-CHWSQXEVSA-N 1 3 303.422 0.940 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001437030664 1006541526 /nfs/dbraw/zinc/54/15/26/1006541526.db2.gz JEDMMPDPYCIZRP-CQSZACIVSA-N 1 3 322.457 0.484 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001437203951 1006702067 /nfs/dbraw/zinc/70/20/67/1006702067.db2.gz UJFMGDYCZUZJLY-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@H]1CCCNC1=O ZINC001437259462 1006774860 /nfs/dbraw/zinc/77/48/60/1006774860.db2.gz PTWYMDDARAAYAK-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001437269999 1006787867 /nfs/dbraw/zinc/78/78/67/1006787867.db2.gz YVQTYFPLVMVDRK-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001437289508 1006802555 /nfs/dbraw/zinc/80/25/55/1006802555.db2.gz DOHCWFUBWZKIJL-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001437335308 1006853820 /nfs/dbraw/zinc/85/38/20/1006853820.db2.gz XSQOEYWOBFAKSI-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001452873368 1007124561 /nfs/dbraw/zinc/12/45/61/1007124561.db2.gz JZBSCGADPWJAIU-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C)C1CCC1 ZINC001453177259 1007292574 /nfs/dbraw/zinc/29/25/74/1007292574.db2.gz LCYQVJFTYCBKCL-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCC[C@H]1C ZINC001453274251 1007371247 /nfs/dbraw/zinc/37/12/47/1007371247.db2.gz WLAKLEASJQFWFQ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCC[C@H]1C ZINC001453274251 1007371256 /nfs/dbraw/zinc/37/12/56/1007371256.db2.gz WLAKLEASJQFWFQ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1 ZINC001439993932 1007393343 /nfs/dbraw/zinc/39/33/43/1007393343.db2.gz YKWCJZOSYDIXIM-HOCLYGCPSA-N 1 3 313.442 0.060 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001439993932 1007393356 /nfs/dbraw/zinc/39/33/56/1007393356.db2.gz YKWCJZOSYDIXIM-HOCLYGCPSA-N 1 3 313.442 0.060 20 0 DCADHO O=C(NC[C@@H](NCCO)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001437875441 1007474440 /nfs/dbraw/zinc/47/44/40/1007474440.db2.gz SGKMJAMTYXYLFI-OAHLLOKOSA-N 1 3 303.406 0.522 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC2CC2)C1 ZINC001440125884 1007506571 /nfs/dbraw/zinc/50/65/71/1007506571.db2.gz RPWKZCXTZFPKNU-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC)CC1 ZINC001440408168 1007735980 /nfs/dbraw/zinc/73/59/80/1007735980.db2.gz YIWMKXLVDKXBCR-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001440408168 1007735988 /nfs/dbraw/zinc/73/59/88/1007735988.db2.gz YIWMKXLVDKXBCR-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)NCC(=O)NC)C1 ZINC001438343161 1007842359 /nfs/dbraw/zinc/84/23/59/1007842359.db2.gz ZNDYNZSEBLPERY-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)NCC(=O)NC)C1 ZINC001438343161 1007842384 /nfs/dbraw/zinc/84/23/84/1007842384.db2.gz ZNDYNZSEBLPERY-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]([NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001438437203 1007908153 /nfs/dbraw/zinc/90/81/53/1007908153.db2.gz XOAITLUILRTPSX-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001440669925 1007947809 /nfs/dbraw/zinc/94/78/09/1007947809.db2.gz AHDGDJIGPJLAFE-MELADBBJSA-N 1 3 314.474 0.534 20 0 DCADHO Cc1nnsc1CNC[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438538958 1007982235 /nfs/dbraw/zinc/98/22/35/1007982235.db2.gz AJRAPQJFKSLLLN-JQWIXIFHSA-N 1 3 311.455 0.640 20 0 DCADHO Cc1nnsc1CNC[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438538958 1007982240 /nfs/dbraw/zinc/98/22/40/1007982240.db2.gz AJRAPQJFKSLLLN-JQWIXIFHSA-N 1 3 311.455 0.640 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001438550015 1007990007 /nfs/dbraw/zinc/99/00/07/1007990007.db2.gz YHISIBPPQOAROE-DZGCQCFKSA-N 1 3 309.458 0.848 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001440762171 1008003616 /nfs/dbraw/zinc/00/36/16/1008003616.db2.gz VFIWZKXIZQBTHT-PIMMBPRGSA-N 1 3 322.457 0.386 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001441213070 1008274141 /nfs/dbraw/zinc/27/41/41/1008274141.db2.gz YWBBGSMISSPFPG-LSDHHAIUSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001441213070 1008274144 /nfs/dbraw/zinc/27/41/44/1008274144.db2.gz YWBBGSMISSPFPG-LSDHHAIUSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001441347237 1008329330 /nfs/dbraw/zinc/32/93/30/1008329330.db2.gz DTNDBHRSCXAAEB-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001441353948 1008330726 /nfs/dbraw/zinc/33/07/26/1008330726.db2.gz PESJEGHPYDRMMQ-DZKIICNBSA-N 1 3 321.469 0.991 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001441388804 1008342715 /nfs/dbraw/zinc/34/27/15/1008342715.db2.gz QKWCTJGMUMSBSI-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001441415263 1008349079 /nfs/dbraw/zinc/34/90/79/1008349079.db2.gz IJUQCRHWHOCAHT-SHTZXODSSA-N 1 3 305.426 0.864 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441508904 1008383240 /nfs/dbraw/zinc/38/32/40/1008383240.db2.gz HADDICSWLMWGTD-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001441518157 1008386759 /nfs/dbraw/zinc/38/67/59/1008386759.db2.gz APYXNBBSUSFCTD-ZNMIVQPWSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cnn(C)c1 ZINC001441541766 1008396872 /nfs/dbraw/zinc/39/68/72/1008396872.db2.gz UABMKPFBILZLKT-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001441652345 1008441467 /nfs/dbraw/zinc/44/14/67/1008441467.db2.gz OKSXGFGKIKFTDY-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001441652345 1008441468 /nfs/dbraw/zinc/44/14/68/1008441468.db2.gz OKSXGFGKIKFTDY-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001421418777 1008557559 /nfs/dbraw/zinc/55/75/59/1008557559.db2.gz ITVJFYYXVVFJJW-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001441847776 1008567187 /nfs/dbraw/zinc/56/71/87/1008567187.db2.gz YPDKUUQOTZCIMS-DOMZBBRYSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)CC ZINC001441861535 1008588255 /nfs/dbraw/zinc/58/82/55/1008588255.db2.gz LTBCBTAOPBKISQ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)CC ZINC001441861535 1008588264 /nfs/dbraw/zinc/58/82/64/1008588264.db2.gz LTBCBTAOPBKISQ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](N[C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C)C(N)=O ZINC001441929404 1008670297 /nfs/dbraw/zinc/67/02/97/1008670297.db2.gz GQYJQTSLTACSOZ-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](N[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C)C(N)=O ZINC001441929404 1008670302 /nfs/dbraw/zinc/67/03/02/1008670302.db2.gz GQYJQTSLTACSOZ-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441935811 1008676110 /nfs/dbraw/zinc/67/61/10/1008676110.db2.gz PBYDPTRQRVZWMM-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441935811 1008676113 /nfs/dbraw/zinc/67/61/13/1008676113.db2.gz PBYDPTRQRVZWMM-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CC[C@H](N[C@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001441935310 1008676474 /nfs/dbraw/zinc/67/64/74/1008676474.db2.gz JOCVVHREVAZDLM-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCC(CC)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442054639 1008890119 /nfs/dbraw/zinc/89/01/19/1008890119.db2.gz SRBVWDIDFCFOQG-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442054639 1008890135 /nfs/dbraw/zinc/89/01/35/1008890135.db2.gz SRBVWDIDFCFOQG-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001442067644 1008921627 /nfs/dbraw/zinc/92/16/27/1008921627.db2.gz PTUDYTNZSQRRRS-UONOGXRCSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)N(C)C1CC1 ZINC001421696760 1008949204 /nfs/dbraw/zinc/94/92/04/1008949204.db2.gz CAITVAKTGDWEAO-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001442150068 1009023567 /nfs/dbraw/zinc/02/35/67/1009023567.db2.gz LPQDUJWMFACHSC-ZDUSSCGKSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)C1CC[NH+](C)CC1 ZINC001421747031 1009024277 /nfs/dbraw/zinc/02/42/77/1009024277.db2.gz RPHACQWLVAQESV-CYBMUJFWSA-N 1 3 307.442 0.604 20 0 DCADHO NC(=O)CNC1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001421780996 1009078372 /nfs/dbraw/zinc/07/83/72/1009078372.db2.gz KMAVRMBNSHXKIG-UHFFFAOYSA-N 1 3 322.453 0.222 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001442229921 1009117318 /nfs/dbraw/zinc/11/73/18/1009117318.db2.gz BGEOMRACHQZLCZ-UHFFFAOYSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001442258286 1009140144 /nfs/dbraw/zinc/14/01/44/1009140144.db2.gz QCRGFQRHUGHIGF-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CCCC1)N(C)C ZINC001421842869 1009157708 /nfs/dbraw/zinc/15/77/08/1009157708.db2.gz SPIHSKGXWAYOBE-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CN(CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C)C1CCC1 ZINC001433815680 1009209897 /nfs/dbraw/zinc/20/98/97/1009209897.db2.gz ZIZQLEKQRWWKNZ-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001421948829 1009302980 /nfs/dbraw/zinc/30/29/80/1009302980.db2.gz XQPFHALRJGRJDM-STQMWFEESA-N 1 3 314.474 0.665 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001421989251 1009367114 /nfs/dbraw/zinc/36/71/14/1009367114.db2.gz SLVXJZYWOYJDLW-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001422111834 1009501516 /nfs/dbraw/zinc/50/15/16/1009501516.db2.gz YTYJTMCATILQGE-LBPRGKRZSA-N 1 3 300.447 0.180 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N(C)C ZINC001422216998 1009661379 /nfs/dbraw/zinc/66/13/79/1009661379.db2.gz VECWKPBNGOOYPE-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N(C)C ZINC001422216998 1009661388 /nfs/dbraw/zinc/66/13/88/1009661388.db2.gz VECWKPBNGOOYPE-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O)CC(C)(C)C ZINC001422277718 1009758881 /nfs/dbraw/zinc/75/88/81/1009758881.db2.gz OUEJDTCQIBKPJZ-CHWSQXEVSA-N 1 3 312.458 0.324 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001443016187 1010054099 /nfs/dbraw/zinc/05/40/99/1010054099.db2.gz LJWOBJNKZYBCRW-CVEARBPZSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001443016187 1010054114 /nfs/dbraw/zinc/05/41/14/1010054114.db2.gz LJWOBJNKZYBCRW-CVEARBPZSA-N 1 3 309.454 0.966 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)C1(N(C)C)CCC1 ZINC001422441987 1010093536 /nfs/dbraw/zinc/09/35/36/1010093536.db2.gz BLDAZJUGQQLXDM-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](O)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001443364591 1010368956 /nfs/dbraw/zinc/36/89/56/1010368956.db2.gz ROXKBYMPGPXFKO-LSDHHAIUSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](O)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001443364591 1010368966 /nfs/dbraw/zinc/36/89/66/1010368966.db2.gz ROXKBYMPGPXFKO-LSDHHAIUSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422746589 1010562167 /nfs/dbraw/zinc/56/21/67/1010562167.db2.gz STQVLIWFSPBSCB-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422746589 1010562175 /nfs/dbraw/zinc/56/21/75/1010562175.db2.gz STQVLIWFSPBSCB-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NCCF)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001422850303 1010671405 /nfs/dbraw/zinc/67/14/05/1010671405.db2.gz GGRNXPNSBWVYKB-ZFWWWQNUSA-N 1 3 315.433 0.893 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)NC)C[C@@H]2C1 ZINC001422869697 1010687793 /nfs/dbraw/zinc/68/77/93/1010687793.db2.gz GOSTYLMJMXMTJX-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)NC)C[C@@H]2C1 ZINC001422869697 1010687799 /nfs/dbraw/zinc/68/77/99/1010687799.db2.gz GOSTYLMJMXMTJX-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CN(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001422927335 1010746963 /nfs/dbraw/zinc/74/69/63/1010746963.db2.gz NVPFBUSOVIJBLP-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(CC)CC ZINC001444032650 1010812234 /nfs/dbraw/zinc/81/22/34/1010812234.db2.gz GPLCXWOZGWWZLP-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(CC)CC ZINC001444032650 1010812238 /nfs/dbraw/zinc/81/22/38/1010812238.db2.gz GPLCXWOZGWWZLP-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001423047437 1010837385 /nfs/dbraw/zinc/83/73/85/1010837385.db2.gz GWKXOKDPEZBQAU-QWHCGFSZSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001423048893 1010839419 /nfs/dbraw/zinc/83/94/19/1010839419.db2.gz JXJWERBFSGAUTO-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCCC1)N(C)C ZINC001444074378 1010839744 /nfs/dbraw/zinc/83/97/44/1010839744.db2.gz UZXJIEFIIVMDRG-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1)C(N)=O ZINC001444167373 1010890468 /nfs/dbraw/zinc/89/04/68/1010890468.db2.gz LXMLQZNYKSYCNG-AAVRWANBSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NCC(C)(C)C ZINC001423108200 1010893793 /nfs/dbraw/zinc/89/37/93/1010893793.db2.gz SFXMCOLLXSTYFY-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC2CC[NH+](CCCO)CC2)C1 ZINC001444220949 1010911200 /nfs/dbraw/zinc/91/12/00/1010911200.db2.gz LBKMOAVSFKNEAX-HNNXBMFYSA-N 1 3 311.470 0.929 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001423173794 1010943093 /nfs/dbraw/zinc/94/30/93/1010943093.db2.gz RDOFHGWCXULVEO-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001444374047 1010985543 /nfs/dbraw/zinc/98/55/43/1010985543.db2.gz HWNGVIFUBMEQPU-CQSZACIVSA-N 1 3 321.469 0.994 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)N1CCCC1 ZINC001444387238 1010993419 /nfs/dbraw/zinc/99/34/19/1010993419.db2.gz ZFABDEUVTLRXCE-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]([NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1)C(N)=O ZINC001444500078 1011042917 /nfs/dbraw/zinc/04/29/17/1011042917.db2.gz OPZCQTVMZBHHMV-GFCCVEGCSA-N 1 3 310.442 0.363 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001423318503 1011073273 /nfs/dbraw/zinc/07/32/73/1011073273.db2.gz CFLNSSODCQUNNT-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C)n[nH]1 ZINC001423318923 1011073681 /nfs/dbraw/zinc/07/36/81/1011073681.db2.gz DDNGTQKGZDCMFJ-WCQYABFASA-N 1 3 320.441 0.534 20 0 DCADHO C[C@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444633386 1011106739 /nfs/dbraw/zinc/10/67/39/1011106739.db2.gz OMYJCFNBXOGGND-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001444710572 1011142586 /nfs/dbraw/zinc/14/25/86/1011142586.db2.gz RBAWBHOXRSGZQE-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001444710572 1011142588 /nfs/dbraw/zinc/14/25/88/1011142588.db2.gz RBAWBHOXRSGZQE-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccnc2)CCC1 ZINC001423455266 1011161382 /nfs/dbraw/zinc/16/13/82/1011161382.db2.gz FFQQZQYOOBIUHG-HNNXBMFYSA-N 1 3 320.437 0.475 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001423463549 1011165649 /nfs/dbraw/zinc/16/56/49/1011165649.db2.gz AWINCTVCDHZVFI-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001444799361 1011175593 /nfs/dbraw/zinc/17/55/93/1011175593.db2.gz LPWQATKCHDNHTJ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001456396984 1011240877 /nfs/dbraw/zinc/24/08/77/1011240877.db2.gz UJSGVXMRFJZVCU-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CC[NH2+][C@H]1CCCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001445314496 1011641212 /nfs/dbraw/zinc/64/12/12/1011641212.db2.gz MBCYBUKNZYHUOC-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CN(C)C1CCC1 ZINC001445319799 1011651651 /nfs/dbraw/zinc/65/16/51/1011651651.db2.gz RPUXKKCZIKPPDM-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[NH2+]CCC12CCOCC2 ZINC001553404341 1011940925 /nfs/dbraw/zinc/94/09/25/1011940925.db2.gz ADLGAUWNDZXFMV-CQSZACIVSA-N 1 3 322.453 0.777 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001445596198 1011980255 /nfs/dbraw/zinc/98/02/55/1011980255.db2.gz VPJIXZIZLWCSCB-QWHCGFSZSA-N 1 3 324.469 0.622 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553494954 1012026244 /nfs/dbraw/zinc/02/62/44/1012026244.db2.gz URQXFLAMENDWGX-SOUVJXGZSA-N 1 3 310.442 0.369 20 0 DCADHO [NH3+]CC1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001553517680 1012067321 /nfs/dbraw/zinc/06/73/21/1012067321.db2.gz JZLCEWWHNSNCIK-SSHXOBKSSA-N 1 3 324.469 0.745 20 0 DCADHO [NH3+]C1CC(CCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553546411 1012096666 /nfs/dbraw/zinc/09/66/66/1012096666.db2.gz ATCPDCFUICRYCJ-NEXFUWMNSA-N 1 3 310.442 0.354 20 0 DCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553548567 1012098102 /nfs/dbraw/zinc/09/81/02/1012098102.db2.gz QOEHQNBWGMGRMM-ARFHVFGLSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553552757 1012100147 /nfs/dbraw/zinc/10/01/47/1012100147.db2.gz QHSIMOZGHOMZNE-UONOGXRCSA-N 1 3 310.442 0.539 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001536526151 1012157339 /nfs/dbraw/zinc/15/73/39/1012157339.db2.gz XEKZTHLNQLKFFM-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001536526151 1012157344 /nfs/dbraw/zinc/15/73/44/1012157344.db2.gz XEKZTHLNQLKFFM-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001424218898 1012183601 /nfs/dbraw/zinc/18/36/01/1012183601.db2.gz VPXHTNJSDQRWPX-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)C1CCC1 ZINC001432265588 1012228832 /nfs/dbraw/zinc/22/88/32/1012228832.db2.gz ADLHBFMHMLNRKG-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001432277972 1012249563 /nfs/dbraw/zinc/24/95/63/1012249563.db2.gz KEELLGPRCJXOIE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001432277972 1012249582 /nfs/dbraw/zinc/24/95/82/1012249582.db2.gz KEELLGPRCJXOIE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CC[C@@H](N2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001424264216 1012262303 /nfs/dbraw/zinc/26/23/03/1012262303.db2.gz NTSXYRQOBPKQSP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001458768196 1012359504 /nfs/dbraw/zinc/35/95/04/1012359504.db2.gz BXVPGPRKCHOIJU-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001458768196 1012359508 /nfs/dbraw/zinc/35/95/08/1012359508.db2.gz BXVPGPRKCHOIJU-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001424476805 1012550659 /nfs/dbraw/zinc/55/06/59/1012550659.db2.gz DGOOCDWUKOXFOH-DZGCQCFKSA-N 1 3 307.442 0.697 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001424508378 1012595739 /nfs/dbraw/zinc/59/57/39/1012595739.db2.gz AKMHAOWQXFIQRZ-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CO[C@@H](C)C[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001424529324 1012618399 /nfs/dbraw/zinc/61/83/99/1012618399.db2.gz JHQFHRKPYCCLSP-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001459205122 1012626873 /nfs/dbraw/zinc/62/68/73/1012626873.db2.gz AEJWLMIHJVICRG-ZDUSSCGKSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001459205122 1012626881 /nfs/dbraw/zinc/62/68/81/1012626881.db2.gz AEJWLMIHJVICRG-ZDUSSCGKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001424559579 1012655023 /nfs/dbraw/zinc/65/50/23/1012655023.db2.gz QMWCPXSIUCANIK-TZMCWYRMSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001459286005 1012666626 /nfs/dbraw/zinc/66/66/26/1012666626.db2.gz XCNWDZGEVNBARL-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001460538635 1012931416 /nfs/dbraw/zinc/93/14/16/1012931416.db2.gz SCMUIQVHSWMSFM-IRXDYDNUSA-N 1 3 313.486 0.997 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001509696123 1017393726 /nfs/dbraw/zinc/39/37/26/1017393726.db2.gz DNNAVYWHGWWXEI-QKDCVEJESA-N 1 3 324.469 0.101 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001479338885 1017504895 /nfs/dbraw/zinc/50/48/95/1017504895.db2.gz SXRYYRNWNNETDW-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)CC[N@@H+]1CCO ZINC001479635850 1017615113 /nfs/dbraw/zinc/61/51/13/1017615113.db2.gz PWTOEDWFCDAGHO-HZSPNIEDSA-N 1 3 303.422 0.628 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)CC[N@H+]1CCO ZINC001479635850 1017615119 /nfs/dbraw/zinc/61/51/19/1017615119.db2.gz PWTOEDWFCDAGHO-HZSPNIEDSA-N 1 3 303.422 0.628 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479829210 1017834381 /nfs/dbraw/zinc/83/43/81/1017834381.db2.gz KXISQFLDZLPMBW-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497256117 1017998058 /nfs/dbraw/zinc/99/80/58/1017998058.db2.gz MKIMTCLUENGARK-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497272259 1018009869 /nfs/dbraw/zinc/00/98/69/1018009869.db2.gz QYYDTDQUSXRODB-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001497272259 1018009883 /nfs/dbraw/zinc/00/98/83/1018009883.db2.gz QYYDTDQUSXRODB-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C[C@H]1C ZINC001499852153 1018103354 /nfs/dbraw/zinc/10/33/54/1018103354.db2.gz DNJRIJXSWXFHAD-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001499896459 1018123947 /nfs/dbraw/zinc/12/39/47/1018123947.db2.gz KTPHMOSBHQBCQO-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001499896459 1018123956 /nfs/dbraw/zinc/12/39/56/1018123956.db2.gz KTPHMOSBHQBCQO-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001499942285 1018148225 /nfs/dbraw/zinc/14/82/25/1018148225.db2.gz XBBCZMZJEMZKPI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001499942285 1018148230 /nfs/dbraw/zinc/14/82/30/1018148230.db2.gz XBBCZMZJEMZKPI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001480115744 1018219228 /nfs/dbraw/zinc/21/92/28/1018219228.db2.gz KRHWKBBOYJOOSV-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N(C)C ZINC001495057627 1018273623 /nfs/dbraw/zinc/27/36/23/1018273623.db2.gz ICXIXYZVYMDWDN-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001480168414 1018277135 /nfs/dbraw/zinc/27/71/35/1018277135.db2.gz IQZREKNGWFDVBT-SHTZXODSSA-N 1 3 322.457 0.474 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001480208588 1018314044 /nfs/dbraw/zinc/31/40/44/1018314044.db2.gz YBWHAEIZPQUISG-UPJWGTAASA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001480207599 1018314334 /nfs/dbraw/zinc/31/43/34/1018314334.db2.gz DEPZDJIGMODFAH-MELADBBJSA-N 1 3 324.469 0.622 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C\CNCc1ccc2nonc2c1 ZINC001497676489 1018330192 /nfs/dbraw/zinc/33/01/92/1018330192.db2.gz ZDGKWZAGYSVFFB-ARJAWSKDSA-N 1 3 317.393 0.937 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001480233528 1018344006 /nfs/dbraw/zinc/34/40/06/1018344006.db2.gz DZCLCFNPTGZTKG-BNOWGMLFSA-N 1 3 310.442 0.232 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001498048730 1018612270 /nfs/dbraw/zinc/61/22/70/1018612270.db2.gz PRBUEMNXEJTXQG-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001498048730 1018612276 /nfs/dbraw/zinc/61/22/76/1018612276.db2.gz PRBUEMNXEJTXQG-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N[C@@H](C)C(N)=O ZINC001480508434 1018616486 /nfs/dbraw/zinc/61/64/86/1018616486.db2.gz BPTJOPSXIVOVLR-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N[C@@H](C)C(N)=O ZINC001480508434 1018616491 /nfs/dbraw/zinc/61/64/91/1018616491.db2.gz BPTJOPSXIVOVLR-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cnn(C)c1 ZINC001480598215 1018695831 /nfs/dbraw/zinc/69/58/31/1018695831.db2.gz ZIMAYBJEIRSWCP-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001480625070 1018719496 /nfs/dbraw/zinc/71/94/96/1018719496.db2.gz ZEDDVMCVFACDPN-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480681834 1018770233 /nfs/dbraw/zinc/77/02/33/1018770233.db2.gz AFNCKMVGVVLQCG-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001496028011 1018984087 /nfs/dbraw/zinc/98/40/87/1018984087.db2.gz KWTCFYCETYMJLN-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496155439 1019117786 /nfs/dbraw/zinc/11/77/86/1019117786.db2.gz UNHNDNMHQQZWGZ-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496208819 1019162971 /nfs/dbraw/zinc/16/29/71/1019162971.db2.gz YMLZEPKWISVSAF-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001498525595 1019192950 /nfs/dbraw/zinc/19/29/50/1019192950.db2.gz CMUJMBKWRMHNBM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[C@@H](CNCc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496294988 1019223687 /nfs/dbraw/zinc/22/36/87/1019223687.db2.gz IQKVMAHGDQGKDF-CABCVRRESA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@@H](CNCc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496294988 1019223701 /nfs/dbraw/zinc/22/37/01/1019223701.db2.gz IQKVMAHGDQGKDF-CABCVRRESA-N 1 3 321.469 0.992 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001496338245 1019252867 /nfs/dbraw/zinc/25/28/67/1019252867.db2.gz BMDFGKWAPRDZCW-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCn1nncc1CNCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501612163 1019326785 /nfs/dbraw/zinc/32/67/85/1019326785.db2.gz PHQLDYSSDLBVTO-AWEZNQCLSA-N 1 3 322.457 0.578 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001499050027 1019683262 /nfs/dbraw/zinc/68/32/62/1019683262.db2.gz MDQOMUFTTXFQCJ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CC[C@H](C)F)C1 ZINC001502094654 1019707615 /nfs/dbraw/zinc/70/76/15/1019707615.db2.gz KWOVBFBKLWAGRK-KBPBESRZSA-N 1 3 303.422 0.892 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)CCC[NH+]1CCCC1 ZINC001493803604 1019722171 /nfs/dbraw/zinc/72/21/71/1019722171.db2.gz PYZASZVSNRMVKZ-UHFFFAOYSA-N 1 3 307.442 0.844 20 0 DCADHO O=C(NC[C@@H](NCCO)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC001493889052 1019790504 /nfs/dbraw/zinc/79/05/04/1019790504.db2.gz NEPUFEOTAZCWOX-DLBZAZTESA-N 1 3 317.433 0.768 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001496990290 1019890516 /nfs/dbraw/zinc/89/05/16/1019890516.db2.gz HJLWMJDIWCHMQQ-DRKGASSASA-N 1 3 303.834 0.680 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494083073 1019969132 /nfs/dbraw/zinc/96/91/32/1019969132.db2.gz LZBUXEMEWBRPBZ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494083073 1019969139 /nfs/dbraw/zinc/96/91/39/1019969139.db2.gz LZBUXEMEWBRPBZ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCN(C(=O)CC2CCN(C[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000346854457 282891747 /nfs/dbraw/zinc/89/17/47/282891747.db2.gz UHLWFPFMGCJKOI-KRWDZBQOSA-N 1 3 322.497 0.862 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000342763704 291046210 /nfs/dbraw/zinc/04/62/10/291046210.db2.gz DHUDWUGYVRWDRK-CHWSQXEVSA-N 1 3 313.442 0.894 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000342763704 291046214 /nfs/dbraw/zinc/04/62/14/291046214.db2.gz DHUDWUGYVRWDRK-CHWSQXEVSA-N 1 3 313.442 0.894 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000288881785 291047229 /nfs/dbraw/zinc/04/72/29/291047229.db2.gz ZOBOWISARUAEFR-ZIAGYGMSSA-N 1 3 307.394 0.686 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000167213451 237125221 /nfs/dbraw/zinc/12/52/21/237125221.db2.gz ZGIZAGJJZOZIGO-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427310579 240357492 /nfs/dbraw/zinc/35/74/92/240357492.db2.gz VKMBRRICYPNBPM-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCOCCNCc1ccc(S(C)(=O)=O)cc1 ZINC000312317476 291252011 /nfs/dbraw/zinc/25/20/11/291252011.db2.gz GSRKGOIOMXUINQ-UHFFFAOYSA-N 1 3 300.424 0.758 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)NC(N)=O)[C@H](C)C1 ZINC000566114982 291271150 /nfs/dbraw/zinc/27/11/50/291271150.db2.gz ALLHSLXAXHQYEW-OLZOCXBDSA-N 1 3 314.430 0.298 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)NC(N)=O)[C@H](C)C1 ZINC000566114982 291271151 /nfs/dbraw/zinc/27/11/51/291271151.db2.gz ALLHSLXAXHQYEW-OLZOCXBDSA-N 1 3 314.430 0.298 20 0 DCADHO CCN(CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000566117653 291271571 /nfs/dbraw/zinc/27/15/71/291271571.db2.gz PGUYMXDLBRKTPF-OWCLPIDISA-N 1 3 301.475 0.776 20 0 DCADHO CN1CCN(c2ncc(CNCC3=CC[N@H+](C)CC3)cn2)CC1 ZINC000271840460 209260370 /nfs/dbraw/zinc/26/03/70/209260370.db2.gz GCRCTMHAPRVFCI-UHFFFAOYSA-N 1 3 316.453 0.580 20 0 DCADHO CN1CCN(c2ncc(CNCC3=CC[N@@H+](C)CC3)cn2)CC1 ZINC000271840460 209260371 /nfs/dbraw/zinc/26/03/71/209260371.db2.gz GCRCTMHAPRVFCI-UHFFFAOYSA-N 1 3 316.453 0.580 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000566558370 291312105 /nfs/dbraw/zinc/31/21/05/291312105.db2.gz APQUDJLFSMIREZ-FUHWJXTLSA-N 1 3 322.497 0.910 20 0 DCADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329790 240023431 /nfs/dbraw/zinc/02/34/31/240023431.db2.gz HLKVOWBJXNSIDK-RWMBFGLXSA-N 1 3 310.442 0.931 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000422103139 240128493 /nfs/dbraw/zinc/12/84/93/240128493.db2.gz HBGFYLNOABVLCY-YOEHRIQHSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000422103139 240128499 /nfs/dbraw/zinc/12/84/99/240128499.db2.gz HBGFYLNOABVLCY-YOEHRIQHSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)N1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000567747014 291374774 /nfs/dbraw/zinc/37/47/74/291374774.db2.gz RHUBIHWIZFOXAW-CQSZACIVSA-N 1 3 320.441 0.633 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN(C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000567893083 291388556 /nfs/dbraw/zinc/38/85/56/291388556.db2.gz RMAQJRHJTDXPBR-HOTGVXAUSA-N 1 3 304.438 0.699 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000572137517 291551390 /nfs/dbraw/zinc/55/13/90/291551390.db2.gz YOQOFCWWQGKAOD-UHFFFAOYSA-N 1 3 320.437 0.480 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000572837050 291592101 /nfs/dbraw/zinc/59/21/01/291592101.db2.gz KYDUYRULHPPOTQ-CABCVRRESA-N 1 3 305.426 0.974 20 0 DCADHO CC[C@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N(C)C ZINC000338970975 253016867 /nfs/dbraw/zinc/01/68/67/253016867.db2.gz OHPSBHSNCUYIEQ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000339580570 253108948 /nfs/dbraw/zinc/10/89/48/253108948.db2.gz JPTAIKSRZKUSDW-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000339634008 253118224 /nfs/dbraw/zinc/11/82/24/253118224.db2.gz JNFIDZZDUKUOPI-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000339635496 253118323 /nfs/dbraw/zinc/11/83/23/253118323.db2.gz ZQLHYPSZEDWMRC-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339669179 253124160 /nfs/dbraw/zinc/12/41/60/253124160.db2.gz CEFVKMONJYUWJZ-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCCCC1)N(C)C1CC1 ZINC000339754070 253138436 /nfs/dbraw/zinc/13/84/36/253138436.db2.gz NZZZCQWXPYPLJK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339961167 253170464 /nfs/dbraw/zinc/17/04/64/253170464.db2.gz DJHGSRINRKGXCP-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]([NH3+])CC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000340185768 253212957 /nfs/dbraw/zinc/21/29/57/253212957.db2.gz PFPKTHYWEHGALP-CQSZACIVSA-N 1 3 305.426 0.447 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000340123214 253204208 /nfs/dbraw/zinc/20/42/08/253204208.db2.gz OGTXMPDFTDNALK-KKUMJFAQSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCC1)C[NH+]1CCCC1 ZINC000340809288 253307796 /nfs/dbraw/zinc/30/77/96/253307796.db2.gz ZKTHTDGHAAKQOU-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)Cn1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000347091824 254128700 /nfs/dbraw/zinc/12/87/00/254128700.db2.gz GQCMJYZMDYHMOY-OAHLLOKOSA-N 1 3 307.442 0.826 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000348144297 254223300 /nfs/dbraw/zinc/22/33/00/254223300.db2.gz OXECGBXPJUXBBN-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO O=C(NCC1CCN(CCO)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000349722193 254294376 /nfs/dbraw/zinc/29/43/76/254294376.db2.gz KKFWXIMQEKHVIY-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NCC1CCN(CCO)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000349722193 254294378 /nfs/dbraw/zinc/29/43/78/254294378.db2.gz KKFWXIMQEKHVIY-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349930737 254304667 /nfs/dbraw/zinc/30/46/67/254304667.db2.gz FTQVNYOSGANUEW-UONOGXRCSA-N 1 3 310.442 0.491 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000349930737 254304669 /nfs/dbraw/zinc/30/46/69/254304669.db2.gz FTQVNYOSGANUEW-UONOGXRCSA-N 1 3 310.442 0.491 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC2CCC([NH3+])CC2)CCSC1 ZINC000417823285 262262699 /nfs/dbraw/zinc/26/26/99/262262699.db2.gz JLAISBCHCWSRJY-YIZWMMSDSA-N 1 3 300.472 0.993 20 0 DCADHO CCN(C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275542798 130332512 /nfs/dbraw/zinc/33/25/12/130332512.db2.gz ZBLVWTDSSLRMCM-UHFFFAOYSA-N 1 3 320.437 0.797 20 0 DCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118093618 395859523 /nfs/dbraw/zinc/85/95/23/395859523.db2.gz QJAFUZORWHRJDC-UHFFFAOYSA-N 1 3 306.410 0.407 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000236595704 395894200 /nfs/dbraw/zinc/89/42/00/395894200.db2.gz CKPSWYBFIIMWMW-UONOGXRCSA-N 1 3 312.458 0.228 20 0 DCADHO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCN(C)CCOC)C1(C)C ZINC000157209065 396062881 /nfs/dbraw/zinc/06/28/81/396062881.db2.gz KZPTWZXZVHLLCI-SWLSCSKDSA-N 1 3 301.431 0.213 20 0 DCADHO C[C@H]([NH3+])CC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000261795401 396066896 /nfs/dbraw/zinc/06/68/96/396066896.db2.gz KRIFFZJSEOADLM-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2C)CC1 ZINC000171202298 396110825 /nfs/dbraw/zinc/11/08/25/396110825.db2.gz USGPNSDUEKQSHT-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(CCN1CC[C@H](C[NH+]2CCCCC2)C1)N1CCNCC1 ZINC000262226808 396113089 /nfs/dbraw/zinc/11/30/89/396113089.db2.gz VAOZTZJRZCAMGU-MRXNPFEDSA-N 1 3 308.470 0.616 20 0 DCADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262441322 396140441 /nfs/dbraw/zinc/14/04/41/396140441.db2.gz CSDKQZHQHQEMMS-YDHLFZDLSA-N 1 3 323.462 0.799 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000261929609 396080520 /nfs/dbraw/zinc/08/05/20/396080520.db2.gz ZUKMJUOMFVDONN-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO Cc1c(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cnn1C ZINC000261952421 396083430 /nfs/dbraw/zinc/08/34/30/396083430.db2.gz WPMZLSUTDOYRCI-HOCLYGCPSA-N 1 3 319.453 0.809 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000279026260 396147781 /nfs/dbraw/zinc/14/77/81/396147781.db2.gz PCWKNRIGBFCYKO-OLZOCXBDSA-N 1 3 305.426 0.948 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000262535249 396152318 /nfs/dbraw/zinc/15/23/18/396152318.db2.gz PHQZYVBWTGFBIQ-HNNXBMFYSA-N 1 3 304.438 0.971 20 0 DCADHO Cc1ccc([C@@H](N)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000262674988 396171751 /nfs/dbraw/zinc/17/17/51/396171751.db2.gz TZFJTKMQVCIXIR-DOTOQJQBSA-N 1 3 318.465 0.995 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000077838432 396235265 /nfs/dbraw/zinc/23/52/65/396235265.db2.gz FLAOZIMHXKATMO-CQSZACIVSA-N 1 3 310.442 0.227 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000077838432 396235269 /nfs/dbraw/zinc/23/52/69/396235269.db2.gz FLAOZIMHXKATMO-CQSZACIVSA-N 1 3 310.442 0.227 20 0 DCADHO COC(=O)c1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c[nH]1 ZINC000282240652 396274996 /nfs/dbraw/zinc/27/49/96/396274996.db2.gz GAEHMHVQPGSPQC-UHFFFAOYSA-N 1 3 308.426 0.917 20 0 DCADHO CCOC(=O)c1nn(C)cc1CNCCC[NH+]1CCN(C)CC1 ZINC000186396294 396349572 /nfs/dbraw/zinc/34/95/72/396349572.db2.gz SIWMHTVMPVBXOV-UHFFFAOYSA-N 1 3 323.441 0.324 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H]1c1cccc(F)c1 ZINC000580892811 396508625 /nfs/dbraw/zinc/50/86/25/396508625.db2.gz QXYZAYSTSBKRHI-SOUVJXGZSA-N 1 3 307.369 0.457 20 0 DCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519764393 396526111 /nfs/dbraw/zinc/52/61/11/396526111.db2.gz DBKXPIRROQWKOL-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CSC1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCN(C)CC1 ZINC000581478524 396557377 /nfs/dbraw/zinc/55/73/77/396557377.db2.gz VLTXMZDWGYDBFT-GFCCVEGCSA-N 1 3 300.472 0.865 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000561999443 396650726 /nfs/dbraw/zinc/65/07/26/396650726.db2.gz NXHPZQHCFMLMBB-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC[N@H+]1C ZINC000561999443 396650729 /nfs/dbraw/zinc/65/07/29/396650729.db2.gz NXHPZQHCFMLMBB-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000581883516 396589428 /nfs/dbraw/zinc/58/94/28/396589428.db2.gz KECDXNFLEHBJAO-LZWOXQAQSA-N 1 3 311.426 0.110 20 0 DCADHO COC[C@@]1(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CCC[NH2+]1 ZINC000584829078 396626848 /nfs/dbraw/zinc/62/68/48/396626848.db2.gz SFLZDHXIFGVSRV-PBHICJAKSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+](CCc1cccc(NC(=O)C(=O)NC2CNC2)c1)C1CC1 ZINC000561004674 396627155 /nfs/dbraw/zinc/62/71/55/396627155.db2.gz CXBZEDMORBZAEP-UHFFFAOYSA-N 1 3 316.405 0.350 20 0 DCADHO C[N@@H+](CCc1cccc(NC(=O)C(=O)NC2CNC2)c1)C1CC1 ZINC000561004674 396627158 /nfs/dbraw/zinc/62/71/58/396627158.db2.gz CXBZEDMORBZAEP-UHFFFAOYSA-N 1 3 316.405 0.350 20 0 DCADHO CCOC(=O)CC1([NH2+]C[C@H](O)CN(C)C(C)C)CCOCC1 ZINC000595878669 396675033 /nfs/dbraw/zinc/67/50/33/396675033.db2.gz ZQEWPQQLVGIFDG-AWEZNQCLSA-N 1 3 316.442 0.780 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000562829668 396683969 /nfs/dbraw/zinc/68/39/69/396683969.db2.gz BPGKYRYCZYHDJW-ZDUSSCGKSA-N 1 3 310.442 0.173 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000303981257 396726672 /nfs/dbraw/zinc/72/66/72/396726672.db2.gz FRIHKSINVKCURI-HLLBOEOZSA-N 1 3 313.486 0.873 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563116416 396704587 /nfs/dbraw/zinc/70/45/87/396704587.db2.gz HONAIFJEOVZLNY-HUUCEWRRSA-N 1 3 320.441 0.775 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563116416 396704593 /nfs/dbraw/zinc/70/45/93/396704593.db2.gz HONAIFJEOVZLNY-HUUCEWRRSA-N 1 3 320.441 0.775 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000563116416 396704596 /nfs/dbraw/zinc/70/45/96/396704596.db2.gz HONAIFJEOVZLNY-HUUCEWRRSA-N 1 3 320.441 0.775 20 0 DCADHO [NH3+]C[C@@H]1CN(CCC(=O)N2CCNCC2)CC[C@@H]1C(F)(F)F ZINC000629559259 396786220 /nfs/dbraw/zinc/78/62/20/396786220.db2.gz APSGUHNTHHHXMI-NEPJUHHUSA-N 1 3 322.375 0.267 20 0 DCADHO O[C@@H](CNC[C@H]1CCN(CC(F)(F)F)C1)C[NH+]1CCCC1 ZINC000629557886 396786951 /nfs/dbraw/zinc/78/69/51/396786951.db2.gz HXQUODSJZUIFAX-OLZOCXBDSA-N 1 3 309.376 0.917 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000563453544 396740001 /nfs/dbraw/zinc/74/00/01/396740001.db2.gz DGWBNRIOISXQKM-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@H](O)COCc1ccccc1 ZINC000309847760 396759297 /nfs/dbraw/zinc/75/92/97/396759297.db2.gz VKIDPHCBBMYKJL-KRWDZBQOSA-N 1 3 307.438 0.401 20 0 DCADHO CCN1CCN([C@H]2CCN(C[C@@H](O)C[N@H+](C)C(C)C)C2)CC1 ZINC000590603586 396813235 /nfs/dbraw/zinc/81/32/35/396813235.db2.gz XLSWRFWJFQATAY-IRXDYDNUSA-N 1 3 312.502 0.399 20 0 DCADHO CCN1CCN([C@H]2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C2)CC1 ZINC000590603586 396813243 /nfs/dbraw/zinc/81/32/43/396813243.db2.gz XLSWRFWJFQATAY-IRXDYDNUSA-N 1 3 312.502 0.399 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000564212200 396817517 /nfs/dbraw/zinc/81/75/17/396817517.db2.gz XOCJMAMMOUFSKG-MELADBBJSA-N 1 3 310.442 0.315 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000564825831 396875922 /nfs/dbraw/zinc/87/59/22/396875922.db2.gz LHEDCXVUKYXVSI-HOTGVXAUSA-N 1 3 308.470 0.648 20 0 DCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000564825831 396875927 /nfs/dbraw/zinc/87/59/27/396875927.db2.gz LHEDCXVUKYXVSI-HOTGVXAUSA-N 1 3 308.470 0.648 20 0 DCADHO CN1CCN(C[C@@H](O)CN[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000564844274 396880524 /nfs/dbraw/zinc/88/05/24/396880524.db2.gz GWGFPOVQJTUPPD-WBVHZDCISA-N 1 3 310.486 0.201 20 0 DCADHO CN1CCN(C[C@@H](O)CN[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000564844274 396880528 /nfs/dbraw/zinc/88/05/28/396880528.db2.gz GWGFPOVQJTUPPD-WBVHZDCISA-N 1 3 310.486 0.201 20 0 DCADHO CN1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000564844274 396880533 /nfs/dbraw/zinc/88/05/33/396880533.db2.gz GWGFPOVQJTUPPD-WBVHZDCISA-N 1 3 310.486 0.201 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000332611800 396888575 /nfs/dbraw/zinc/88/85/75/396888575.db2.gz LWHYJYPJDSEUIG-BARDWOONSA-N 1 3 322.453 0.267 20 0 DCADHO COC(=O)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000611588309 396891688 /nfs/dbraw/zinc/89/16/88/396891688.db2.gz IYBCVYAODXOHKO-UHFFFAOYSA-N 1 3 312.370 0.027 20 0 DCADHO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000571443364 396952666 /nfs/dbraw/zinc/95/26/66/396952666.db2.gz AIWNVZUHTVMZAU-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO O[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339780905 396962024 /nfs/dbraw/zinc/96/20/24/396962024.db2.gz KLOSLABZNDKVNN-HOTGVXAUSA-N 1 3 300.443 0.697 20 0 DCADHO O[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339780905 396962028 /nfs/dbraw/zinc/96/20/28/396962028.db2.gz KLOSLABZNDKVNN-HOTGVXAUSA-N 1 3 300.443 0.697 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)C1CC1 ZINC000343312584 396995668 /nfs/dbraw/zinc/99/56/68/396995668.db2.gz PYVIAPBKRDRCPJ-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000572111621 397021769 /nfs/dbraw/zinc/02/17/69/397021769.db2.gz MQIOTMGUGIWBKV-RBSFLKMASA-N 1 3 322.453 0.126 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000571695148 396979058 /nfs/dbraw/zinc/97/90/58/396979058.db2.gz ZZZGBXSMSMXKBX-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000630761510 397099337 /nfs/dbraw/zinc/09/93/37/397099337.db2.gz GFSSAVWLRSNFHR-HUUCEWRRSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000630761510 397099339 /nfs/dbraw/zinc/09/93/39/397099339.db2.gz GFSSAVWLRSNFHR-HUUCEWRRSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000630794774 397106592 /nfs/dbraw/zinc/10/65/92/397106592.db2.gz ANQMMJLSZWLBER-ZDUSSCGKSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000630794774 397106597 /nfs/dbraw/zinc/10/65/97/397106597.db2.gz ANQMMJLSZWLBER-ZDUSSCGKSA-N 1 3 305.426 0.659 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000377750167 397134548 /nfs/dbraw/zinc/13/45/48/397134548.db2.gz XFJLIIFSRAYJLU-KRWDZBQOSA-N 1 3 322.497 0.862 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N1CCCN(C)CC1 ZINC000352212584 397134702 /nfs/dbraw/zinc/13/47/02/397134702.db2.gz AJBWJDNFEVYUQX-UHFFFAOYSA-N 1 3 300.447 0.692 20 0 DCADHO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000592219347 397135032 /nfs/dbraw/zinc/13/50/32/397135032.db2.gz KZESRMSGDVSNAG-HZPDHXFCSA-N 1 3 310.486 0.987 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000592219270 397135241 /nfs/dbraw/zinc/13/52/41/397135241.db2.gz HJGCRIPKNRBQGH-CABCVRRESA-N 1 3 308.470 0.611 20 0 DCADHO CSC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000364450763 397204498 /nfs/dbraw/zinc/20/44/98/397204498.db2.gz TVVOEPMPLFTWSM-ZNMIVQPWSA-N 1 3 301.500 0.668 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620483987 397278965 /nfs/dbraw/zinc/27/89/65/397278965.db2.gz HBBYHLKIOOLBRU-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620483987 397278970 /nfs/dbraw/zinc/27/89/70/397278970.db2.gz HBBYHLKIOOLBRU-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO COCCNCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389931382 397298615 /nfs/dbraw/zinc/29/86/15/397298615.db2.gz LCNUQHLKQOVYOG-GOEBONIOSA-N 1 3 305.422 0.859 20 0 DCADHO COCCNCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389931382 397298621 /nfs/dbraw/zinc/29/86/21/397298621.db2.gz LCNUQHLKQOVYOG-GOEBONIOSA-N 1 3 305.422 0.859 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])C2)CC1 ZINC000592965435 397307066 /nfs/dbraw/zinc/30/70/66/397307066.db2.gz ZPYGCEQEGKYKHW-BRWVUGGUSA-N 1 3 322.497 0.988 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000577833220 397364430 /nfs/dbraw/zinc/36/44/30/397364430.db2.gz AONHMEOLTLJTLJ-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000578521676 397448133 /nfs/dbraw/zinc/44/81/33/397448133.db2.gz HMRFRMARPCPXBE-CYBMUJFWSA-N 1 3 318.421 0.993 20 0 DCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCOCC[NH+](C)C ZINC000471643391 397449956 /nfs/dbraw/zinc/44/99/56/397449956.db2.gz HVHIWXUKJXBOMS-UONOGXRCSA-N 1 3 300.447 0.546 20 0 DCADHO CC[C@H](CNC(=O)/C=C\C[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000491875438 397504558 /nfs/dbraw/zinc/50/45/58/397504558.db2.gz YQWCCZQBXGQJKE-OEDWOYBHSA-N 1 3 310.442 0.233 20 0 DCADHO CC[C@H](CNC(=O)/C=C\CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000491875438 397504559 /nfs/dbraw/zinc/50/45/59/397504559.db2.gz YQWCCZQBXGQJKE-OEDWOYBHSA-N 1 3 310.442 0.233 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C\C[NH+](C)C ZINC000491909136 397508035 /nfs/dbraw/zinc/50/80/35/397508035.db2.gz WMPJWUYPXYVDQP-DEBLGDTFSA-N 1 3 310.442 0.163 20 0 DCADHO CN(C)CCn1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC000579141852 397529658 /nfs/dbraw/zinc/52/96/58/397529658.db2.gz SJLGXLLVWZUFJW-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000579141852 397529660 /nfs/dbraw/zinc/52/96/60/397529660.db2.gz SJLGXLLVWZUFJW-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC000187018806 286058950 /nfs/dbraw/zinc/05/89/50/286058950.db2.gz CVMSATWKLPDRLB-FRRDWIJNSA-N 1 3 314.430 0.296 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)CCn3cccn3)CC2)CC1 ZINC000050799162 158011984 /nfs/dbraw/zinc/01/19/84/158011984.db2.gz NOJPYMANIDMGQN-UHFFFAOYSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760305 158015392 /nfs/dbraw/zinc/01/53/92/158015392.db2.gz MDAAVVOUTHUVGY-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO CCN1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000114017150 158150809 /nfs/dbraw/zinc/15/08/09/158150809.db2.gz OJRFQOOUOXDCSR-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCCC2CC[NH+](C)CC2)CC1=O ZINC000081315501 286928937 /nfs/dbraw/zinc/92/89/37/286928937.db2.gz IOHQZAZDQODSKM-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418185165 287241969 /nfs/dbraw/zinc/24/19/69/287241969.db2.gz AQEKDDDVXBRGCD-LBPRGKRZSA-N 1 3 309.414 0.416 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418378141 287246450 /nfs/dbraw/zinc/24/64/50/287246450.db2.gz HTDOSZONAJVRLW-UONOGXRCSA-N 1 3 300.447 0.722 20 0 DCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H](CN)C2CC2)([NH+](C)C)C1 ZINC000418912326 287252632 /nfs/dbraw/zinc/25/26/32/287252632.db2.gz DVGWGEARVADZDL-HACGYAERSA-N 1 3 324.469 0.467 20 0 DCADHO COCC[NH2+]CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000237269825 292560012 /nfs/dbraw/zinc/56/00/12/292560012.db2.gz FDGZIHBRTGCZSI-UHFFFAOYSA-N 1 3 313.442 0.374 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419021302 287261456 /nfs/dbraw/zinc/26/14/56/287261456.db2.gz GTDJRDMWZQQCPK-CBBWQLFWSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)C1 ZINC000332611802 415422884 /nfs/dbraw/zinc/42/28/84/415422884.db2.gz LWHYJYPJDSEUIG-BYNSBNAKSA-N 1 3 322.453 0.267 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000332359686 415361852 /nfs/dbraw/zinc/36/18/52/415361852.db2.gz XCRMBMONKNKLTA-JKSUJKDBSA-N 1 3 324.469 0.868 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@H+](C)C(C)C ZINC000342943165 415370892 /nfs/dbraw/zinc/37/08/92/415370892.db2.gz DSMHYOSEVAZKOG-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@@H+](C)C(C)C ZINC000342943165 415370896 /nfs/dbraw/zinc/37/08/96/415370896.db2.gz DSMHYOSEVAZKOG-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000332383878 415371239 /nfs/dbraw/zinc/37/12/39/415371239.db2.gz VOCFFYDKKYKMEV-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000343255695 415516733 /nfs/dbraw/zinc/51/67/33/415516733.db2.gz YHZRVDWEOWYPTE-BBWFWOEESA-N 1 3 310.486 0.371 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353513337 415575611 /nfs/dbraw/zinc/57/56/11/415575611.db2.gz LCDIOWXVMNPLGA-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353428658 415536915 /nfs/dbraw/zinc/53/69/15/415536915.db2.gz DQHRKFPOJCHDRC-OAHLLOKOSA-N 1 3 323.485 0.502 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353428658 415536925 /nfs/dbraw/zinc/53/69/25/415536925.db2.gz DQHRKFPOJCHDRC-OAHLLOKOSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN(CCC(=O)NCC2CCC(C[NH3+])CC2)CC1 ZINC000343601051 415651170 /nfs/dbraw/zinc/65/11/70/415651170.db2.gz PPMVLULNLSAIMS-UHFFFAOYSA-N 1 3 310.486 0.895 20 0 DCADHO O=S1(=O)CCCN1[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000333469786 415659654 /nfs/dbraw/zinc/65/96/54/415659654.db2.gz AQEHWXAZACRFKD-HUUCEWRRSA-N 1 3 315.483 0.876 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333708898 415722497 /nfs/dbraw/zinc/72/24/97/415722497.db2.gz RXVOYXYKVCRMBW-ZIAGYGMSSA-N 1 3 310.442 0.633 20 0 DCADHO CC(C)OC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343877872 415763376 /nfs/dbraw/zinc/76/33/76/415763376.db2.gz ZBRQOBWYWJMRCL-BBWFWOEESA-N 1 3 313.486 0.730 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000343863104 415757557 /nfs/dbraw/zinc/75/75/57/415757557.db2.gz HOBGTYWFNKXSHK-AWEZNQCLSA-N 1 3 313.442 0.990 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000343863104 415757561 /nfs/dbraw/zinc/75/75/61/415757561.db2.gz HOBGTYWFNKXSHK-AWEZNQCLSA-N 1 3 313.442 0.990 20 0 DCADHO C(C[NH+]1CCCC1)OC1CCN(CCN2CCOCC2)CC1 ZINC000336856843 415841703 /nfs/dbraw/zinc/84/17/03/415841703.db2.gz OOYGXXUPNVJTCB-UHFFFAOYSA-N 1 3 311.470 0.895 20 0 DCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000343987095 415809765 /nfs/dbraw/zinc/80/97/65/415809765.db2.gz RWAYFLKOHSLVEU-BZUAXINKSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000343987095 415809773 /nfs/dbraw/zinc/80/97/73/415809773.db2.gz RWAYFLKOHSLVEU-BZUAXINKSA-N 1 3 308.470 0.613 20 0 DCADHO C[NH+](C)CCC1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000336821671 415817749 /nfs/dbraw/zinc/81/77/49/415817749.db2.gz ITYWNHTTWRXSPQ-UHFFFAOYSA-N 1 3 303.472 0.686 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000344497819 415928959 /nfs/dbraw/zinc/92/89/59/415928959.db2.gz RMBFMIHCKZRPIS-IRXDYDNUSA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000344497819 415928964 /nfs/dbraw/zinc/92/89/64/415928964.db2.gz RMBFMIHCKZRPIS-IRXDYDNUSA-N 1 3 322.497 0.861 20 0 DCADHO CCN1C[C@@H](C)[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000344353645 415896395 /nfs/dbraw/zinc/89/63/95/415896395.db2.gz SPBSFBVMQJDLJN-SJORKVTESA-N 1 3 312.502 0.306 20 0 DCADHO CC[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N(C)C ZINC000356485584 415929645 /nfs/dbraw/zinc/92/96/45/415929645.db2.gz VOFCJKDZFVTGPN-CQSZACIVSA-N 1 3 308.426 0.978 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)CC[C@H]21 ZINC000344426563 415912472 /nfs/dbraw/zinc/91/24/72/415912472.db2.gz NLEADBBWQBTUOR-BZUAXINKSA-N 1 3 306.454 0.319 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)CC[C@H]21 ZINC000344426563 415912476 /nfs/dbraw/zinc/91/24/76/415912476.db2.gz NLEADBBWQBTUOR-BZUAXINKSA-N 1 3 306.454 0.319 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CCN1C ZINC000344639528 415965413 /nfs/dbraw/zinc/96/54/13/415965413.db2.gz PQEJUKAWBMKAJP-HOCLYGCPSA-N 1 3 318.469 0.801 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC000152566703 415967526 /nfs/dbraw/zinc/96/75/26/415967526.db2.gz MSDXZHHNXGDFTM-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000338082928 416042524 /nfs/dbraw/zinc/04/25/24/416042524.db2.gz OIJIFZNYRDVHEC-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000338082928 416042527 /nfs/dbraw/zinc/04/25/27/416042527.db2.gz OIJIFZNYRDVHEC-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CCCN1CCC([N@H+](C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000338308242 416074336 /nfs/dbraw/zinc/07/43/36/416074336.db2.gz RNCXOWYLSOYRJF-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CCCN1CCC([N@@H+](C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000338308242 416074341 /nfs/dbraw/zinc/07/43/41/416074341.db2.gz RNCXOWYLSOYRJF-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CCC[NH+]1CCC(N(C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000338308242 416074345 /nfs/dbraw/zinc/07/43/45/416074345.db2.gz RNCXOWYLSOYRJF-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000337727693 416003174 /nfs/dbraw/zinc/00/31/74/416003174.db2.gz UZXAZLINHPCISD-GDBMZVCRSA-N 1 3 314.474 0.576 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000337727693 416003177 /nfs/dbraw/zinc/00/31/77/416003177.db2.gz UZXAZLINHPCISD-GDBMZVCRSA-N 1 3 314.474 0.576 20 0 DCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000357073669 416030165 /nfs/dbraw/zinc/03/01/65/416030165.db2.gz IBQYZUUTAIVYJW-WBVHZDCISA-N 1 3 322.497 0.861 20 0 DCADHO CCCC[N@H+](C)CC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000314707823 416112125 /nfs/dbraw/zinc/11/21/25/416112125.db2.gz KGGFDDQQMVYPMB-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000314707823 416112130 /nfs/dbraw/zinc/11/21/30/416112130.db2.gz KGGFDDQQMVYPMB-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO C[C@H]1[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)CCCN1C ZINC000345572877 416118584 /nfs/dbraw/zinc/11/85/84/416118584.db2.gz PGPMPVCZQRRHDP-DZGCQCFKSA-N 1 3 312.458 0.473 20 0 DCADHO O=C(CN1CC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000323687441 416121838 /nfs/dbraw/zinc/12/18/38/416121838.db2.gz CBRAOEFTRFVYTR-UHFFFAOYSA-N 1 3 316.449 0.626 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000340202440 416180137 /nfs/dbraw/zinc/18/01/37/416180137.db2.gz IXTGHZOWXPFPSS-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[NH+](CC)CCSCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358069529 416185365 /nfs/dbraw/zinc/18/53/65/416185365.db2.gz TUADNTIOSABBSL-CQSZACIVSA-N 1 3 303.472 0.244 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000340511813 416190223 /nfs/dbraw/zinc/19/02/23/416190223.db2.gz RVLMUWDALAHSJO-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000340511813 416190225 /nfs/dbraw/zinc/19/02/25/416190225.db2.gz RVLMUWDALAHSJO-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO O=S1(=O)CCC[C@H]([NH2+]CCCCN2CCC[C@H]2CO)C1 ZINC000341695170 416224165 /nfs/dbraw/zinc/22/41/65/416224165.db2.gz JMRFIHCHZLDHRP-KBPBESRZSA-N 1 3 304.456 0.390 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCC2(CO)COC2)[C@H](C)C1 ZINC000358350344 416227310 /nfs/dbraw/zinc/22/73/10/416227310.db2.gz JBYWMJCXOLURMQ-HUUCEWRRSA-N 1 3 300.443 0.722 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCC2(CO)COC2)[C@H](C)C1 ZINC000358350344 416227313 /nfs/dbraw/zinc/22/73/13/416227313.db2.gz JBYWMJCXOLURMQ-HUUCEWRRSA-N 1 3 300.443 0.722 20 0 DCADHO CCN1CCN(CCCC[NH2+][C@H](C)CS(C)(=O)=O)CC1 ZINC000341759357 416230926 /nfs/dbraw/zinc/23/09/26/416230926.db2.gz UJLANNCMGLHYQA-CQSZACIVSA-N 1 3 305.488 0.427 20 0 DCADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358520436 416248788 /nfs/dbraw/zinc/24/87/88/416248788.db2.gz UOXAPKSKBHSBMZ-CYBMUJFWSA-N 1 3 310.442 0.932 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1(C)C ZINC000188145889 416262458 /nfs/dbraw/zinc/26/24/58/416262458.db2.gz LQJKSELKMUGBKR-BLLLJJGKSA-N 1 3 323.441 0.916 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000358666252 416263939 /nfs/dbraw/zinc/26/39/39/416263939.db2.gz TZMLGAFCRSWHHF-KRWDZBQOSA-N 1 3 320.437 0.614 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000350174485 416265779 /nfs/dbraw/zinc/26/57/79/416265779.db2.gz KCOUAEJEOGONPA-ZDUSSCGKSA-N 1 3 310.446 1.295 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000350174485 416265783 /nfs/dbraw/zinc/26/57/83/416265783.db2.gz KCOUAEJEOGONPA-ZDUSSCGKSA-N 1 3 310.446 1.295 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415441452 416343280 /nfs/dbraw/zinc/34/32/80/416343280.db2.gz PGFSMMLTSGLLHF-CQSZACIVSA-N 1 3 320.437 0.829 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359455572 416346808 /nfs/dbraw/zinc/34/68/08/416346808.db2.gz GXHPEZNJGWUCGV-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415954558 416357720 /nfs/dbraw/zinc/35/77/20/416357720.db2.gz OHOWWYRWDUFVLX-LBPRGKRZSA-N 1 3 321.429 0.348 20 0 DCADHO CC[NH+]1CCC(NC(=O)NCCN(C)CCCOC)CC1 ZINC000359896596 416364526 /nfs/dbraw/zinc/36/45/26/416364526.db2.gz IZVAAPTYULMNAH-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC000419892815 416414526 /nfs/dbraw/zinc/41/45/26/416414526.db2.gz JVYQRDJBHVHEFC-APIJFGDWSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000416818530 416377873 /nfs/dbraw/zinc/37/78/73/416377873.db2.gz ZRZMTEDZYIZENN-JKSUJKDBSA-N 1 3 319.453 0.492 20 0 DCADHO C[C@@H](CCC[NH3+])NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418117763 416384898 /nfs/dbraw/zinc/38/48/98/416384898.db2.gz SDWNYCMZTDUDLC-UONOGXRCSA-N 1 3 300.447 0.914 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N[C@@H](CC[NH3+])C(F)F)CCCO1 ZINC000418123495 416385725 /nfs/dbraw/zinc/38/57/25/416385725.db2.gz ZAPQIALPJXQATE-RYUDHWBXSA-N 1 3 322.400 0.769 20 0 DCADHO [NH3+][C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000418442349 416387042 /nfs/dbraw/zinc/38/70/42/416387042.db2.gz DOVDAIUUGSBIFL-JKSUJKDBSA-N 1 3 320.437 0.832 20 0 DCADHO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418766495 416389891 /nfs/dbraw/zinc/38/98/91/416389891.db2.gz MVKLRDQDIATCLS-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418961310 416394900 /nfs/dbraw/zinc/39/49/00/416394900.db2.gz JODHHGJPMFEQRK-ZIAGYGMSSA-N 1 3 320.437 0.477 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419034107 416396040 /nfs/dbraw/zinc/39/60/40/416396040.db2.gz ZJNSDLDOEPQLNE-OLZOCXBDSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000419624550 416404753 /nfs/dbraw/zinc/40/47/53/416404753.db2.gz KHSUKTGLPNXHKO-VNHYZAJKSA-N 1 3 322.453 0.481 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419781524 416411057 /nfs/dbraw/zinc/41/10/57/416411057.db2.gz SGXOUVQAOZDMRY-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419785703 416411461 /nfs/dbraw/zinc/41/14/61/416411461.db2.gz ZDCQXKXHXBLQSK-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419808658 416413454 /nfs/dbraw/zinc/41/34/54/416413454.db2.gz VJRLOCADXDDSEH-CQSZACIVSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423066386 416465316 /nfs/dbraw/zinc/46/53/16/416465316.db2.gz WUKKFVLLWJPQJU-MRXNPFEDSA-N 1 3 312.458 0.230 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423118790 416468169 /nfs/dbraw/zinc/46/81/69/416468169.db2.gz AFYMJYVERGEIPH-ZDUSSCGKSA-N 1 3 312.458 0.230 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423173260 416473596 /nfs/dbraw/zinc/47/35/96/416473596.db2.gz XRWMWFXFRYKGFW-CABCVRRESA-N 1 3 322.453 0.413 20 0 DCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000583574885 416474927 /nfs/dbraw/zinc/47/49/27/416474927.db2.gz MAXUZPJSZGOEFA-NWDGAFQWSA-N 1 3 300.447 0.336 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423190378 416476603 /nfs/dbraw/zinc/47/66/03/416476603.db2.gz NUSOTDRJYXQYOF-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO C[C@@H]1CN(CCC2CCN(C(=O)NC3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000583614936 416479408 /nfs/dbraw/zinc/47/94/08/416479408.db2.gz VADKMMYPTPDONF-ZIAGYGMSSA-N 1 3 324.469 0.879 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000583922117 416485947 /nfs/dbraw/zinc/48/59/47/416485947.db2.gz VGJHFCOGMPVNCN-OAHLLOKOSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000583922117 416485953 /nfs/dbraw/zinc/48/59/53/416485953.db2.gz VGJHFCOGMPVNCN-OAHLLOKOSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000422274284 416424380 /nfs/dbraw/zinc/42/43/80/416424380.db2.gz XXCSFJVQXFWCSO-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000361498567 416441608 /nfs/dbraw/zinc/44/16/08/416441608.db2.gz UUDKQXZNQMDHKA-HNNXBMFYSA-N 1 3 323.485 0.769 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422630672 416443255 /nfs/dbraw/zinc/44/32/55/416443255.db2.gz ZFHSEBKWRPPSMZ-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000422972443 416453764 /nfs/dbraw/zinc/45/37/64/416453764.db2.gz LQDXUYDSYZYQDS-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000535696731 416524190 /nfs/dbraw/zinc/52/41/90/416524190.db2.gz ONXKFRUBPUSBJO-CQSZACIVSA-N 1 3 306.410 0.590 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000535696731 416524194 /nfs/dbraw/zinc/52/41/94/416524194.db2.gz ONXKFRUBPUSBJO-CQSZACIVSA-N 1 3 306.410 0.590 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423621018 416528609 /nfs/dbraw/zinc/52/86/09/416528609.db2.gz KOWQLSXNVXURPT-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423621018 416528615 /nfs/dbraw/zinc/52/86/15/416528615.db2.gz KOWQLSXNVXURPT-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000423669471 416537323 /nfs/dbraw/zinc/53/73/23/416537323.db2.gz YCCOWOXPSGETLG-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000536533379 416540625 /nfs/dbraw/zinc/54/06/25/416540625.db2.gz UMKWSACPODCGAQ-MRXNPFEDSA-N 1 3 308.470 0.613 20 0 DCADHO COc1ccc(C[NH2+]CCCCN2CCN(CCO)CC2)cn1 ZINC000436229190 416551211 /nfs/dbraw/zinc/55/12/11/416551211.db2.gz DFYCEYFCNRSDCZ-UHFFFAOYSA-N 1 3 322.453 0.570 20 0 DCADHO CS(=O)(=O)N1CC(C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000436470091 416558048 /nfs/dbraw/zinc/55/80/48/416558048.db2.gz ISPFHNWLDLEFDB-UHFFFAOYSA-N 1 3 324.450 0.531 20 0 DCADHO CN(C)CCOCCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000458692079 416492809 /nfs/dbraw/zinc/49/28/09/416492809.db2.gz KUJJHTYPPQAAID-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000434699272 416494462 /nfs/dbraw/zinc/49/44/62/416494462.db2.gz JITFXBSXUGMBAB-ZNMIVQPWSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423378654 416500291 /nfs/dbraw/zinc/50/02/91/416500291.db2.gz MLVQWXBWKANKSB-BETUJISGSA-N 1 3 308.430 0.620 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423408716 416506646 /nfs/dbraw/zinc/50/66/46/416506646.db2.gz AWUZMVQJRDHEAI-UHFFFAOYSA-N 1 3 312.458 0.517 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000364231826 416582329 /nfs/dbraw/zinc/58/23/29/416582329.db2.gz RIFMNGOPNHNXOY-AWEZNQCLSA-N 1 3 309.458 0.112 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424137281 416615413 /nfs/dbraw/zinc/61/54/13/416615413.db2.gz RXAMMKIQOAOCLX-KBPBESRZSA-N 1 3 320.441 0.664 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424143539 416616112 /nfs/dbraw/zinc/61/61/12/416616112.db2.gz KAZQLYZLKNMEOO-KBPBESRZSA-N 1 3 320.441 0.759 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC000542818840 416631190 /nfs/dbraw/zinc/63/11/90/416631190.db2.gz CRJQCSTWXAXUTF-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC000544325213 416653640 /nfs/dbraw/zinc/65/36/40/416653640.db2.gz JHQUTMQYMAIVKV-INIZCTEOSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000556904224 416720549 /nfs/dbraw/zinc/72/05/49/416720549.db2.gz UAMSBQGDZQQCRL-CRWXNKLISA-N 1 3 312.458 0.430 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000516467990 416724920 /nfs/dbraw/zinc/72/49/20/416724920.db2.gz MGYXAKXXLBTLHX-ZMSDIMECSA-N 1 3 308.422 0.611 20 0 DCADHO Cn1ccc(N2CCC[C@@H](N3CCC[C@@H](CC[NH3+])C3)C2=O)n1 ZINC000443063029 416729993 /nfs/dbraw/zinc/72/99/93/416729993.db2.gz VJJUDBKDCMHLIC-UONOGXRCSA-N 1 3 305.426 0.976 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000557297301 416730750 /nfs/dbraw/zinc/73/07/50/416730750.db2.gz IOVNKEFFAZJGPD-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1cc(N2CCC[C@H](N3CCC[C@H](CC[NH3+])C3)C2=O)cn1 ZINC000443073177 416730887 /nfs/dbraw/zinc/73/08/87/416730887.db2.gz OWNORHVRLDGNRY-HIFRSBDPSA-N 1 3 305.426 0.976 20 0 DCADHO CCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000426564342 416773725 /nfs/dbraw/zinc/77/37/25/416773725.db2.gz DDMMANMRRORRSG-GJZGRUSLSA-N 1 3 312.458 0.615 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000517391620 416806350 /nfs/dbraw/zinc/80/63/50/416806350.db2.gz PDEHXTOYPMXFHD-OAGGEKHMSA-N 1 3 305.422 0.500 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000517391620 416806358 /nfs/dbraw/zinc/80/63/58/416806358.db2.gz PDEHXTOYPMXFHD-OAGGEKHMSA-N 1 3 305.422 0.500 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000517391622 416806617 /nfs/dbraw/zinc/80/66/17/416806617.db2.gz PDEHXTOYPMXFHD-XHSDSOJGSA-N 1 3 305.422 0.500 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000517391622 416806625 /nfs/dbraw/zinc/80/66/25/416806625.db2.gz PDEHXTOYPMXFHD-XHSDSOJGSA-N 1 3 305.422 0.500 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000631938346 416819160 /nfs/dbraw/zinc/81/91/60/416819160.db2.gz BCYKRKZQNRKYPE-CYBMUJFWSA-N 1 3 301.456 0.534 20 0 DCADHO Nc1cc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccn1 ZINC000563152706 416874163 /nfs/dbraw/zinc/87/41/63/416874163.db2.gz WQGQZDXQTQNJTD-HUUCEWRRSA-N 1 3 317.437 0.744 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000518945926 416881362 /nfs/dbraw/zinc/88/13/62/416881362.db2.gz MPGPQWIIKISHMR-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000641413410 416840560 /nfs/dbraw/zinc/84/05/60/416840560.db2.gz HHUHYRNTFBUAGX-CJNGLKHVSA-N 1 3 306.410 0.270 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623572113 416847630 /nfs/dbraw/zinc/84/76/30/416847630.db2.gz RKDXHXMFXXVZHE-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623572113 416847636 /nfs/dbraw/zinc/84/76/36/416847636.db2.gz RKDXHXMFXXVZHE-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369930276 416849107 /nfs/dbraw/zinc/84/91/07/416849107.db2.gz MBZLGEHZILQUTL-LSDHHAIUSA-N 1 3 324.469 0.881 20 0 DCADHO CCN(CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000520374640 416958138 /nfs/dbraw/zinc/95/81/38/416958138.db2.gz PNHVYCZTCVDRSX-AWEZNQCLSA-N 1 3 324.469 0.868 20 0 DCADHO C[C@@H](C(N)=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371158260 416909776 /nfs/dbraw/zinc/90/97/76/416909776.db2.gz RKFQWKCWQCVQJZ-AWEZNQCLSA-N 1 3 310.486 0.988 20 0 DCADHO Nc1nc(N)nc(NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000623891317 416915032 /nfs/dbraw/zinc/91/50/32/416915032.db2.gz JIBRWRADEKLEJC-UHFFFAOYSA-N 1 3 313.409 0.443 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C1CC1 ZINC000446283798 416919785 /nfs/dbraw/zinc/91/97/85/416919785.db2.gz XICOTXQOWLOYSM-ZOMKSWQUSA-N 1 3 309.454 0.975 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565238108 416955330 /nfs/dbraw/zinc/95/53/30/416955330.db2.gz GBOJGRTURPQFLZ-MGPQQGTHSA-N 1 3 308.426 0.021 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565238108 416955337 /nfs/dbraw/zinc/95/53/37/416955337.db2.gz GBOJGRTURPQFLZ-MGPQQGTHSA-N 1 3 308.426 0.021 20 0 DCADHO CN1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H](CN)C1 ZINC000641880836 417015925 /nfs/dbraw/zinc/01/59/25/417015925.db2.gz AMKRUQPFYXSQSE-JKSUJKDBSA-N 1 3 319.453 0.751 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000632336031 417028680 /nfs/dbraw/zinc/02/86/80/417028680.db2.gz AAAHRIPIHBETIX-UKRRQHHQSA-N 1 3 305.426 0.611 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000429457656 416976427 /nfs/dbraw/zinc/97/64/27/416976427.db2.gz VGKBVESWAMFEOG-CHWSQXEVSA-N 1 3 306.476 0.139 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000624228489 416985398 /nfs/dbraw/zinc/98/53/98/416985398.db2.gz UBULBFFZSBKUIJ-GVDBMIGSSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000624228489 416985405 /nfs/dbraw/zinc/98/54/05/416985405.db2.gz UBULBFFZSBKUIJ-GVDBMIGSSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000624228489 416985411 /nfs/dbraw/zinc/98/54/11/416985411.db2.gz UBULBFFZSBKUIJ-GVDBMIGSSA-N 1 3 313.486 0.780 20 0 DCADHO Cn1cncc1CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000641798889 416999577 /nfs/dbraw/zinc/99/95/77/416999577.db2.gz PNIZNZIHRJHHDU-GOEBONIOSA-N 1 3 319.453 0.543 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642785727 417098768 /nfs/dbraw/zinc/09/87/68/417098768.db2.gz FQFPJCMMTCZRQG-ZFWWWQNUSA-N 1 3 322.453 0.174 20 0 DCADHO CC[NH2+]CC1CCN(CC(=O)NC2CCN(CC)CC2)CC1 ZINC000430552279 417042169 /nfs/dbraw/zinc/04/21/69/417042169.db2.gz NFLXHBNGNUKFNN-UHFFFAOYSA-N 1 3 310.486 0.908 20 0 DCADHO O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)NC1CCN(C2CC2)CC1 ZINC000430576055 417042984 /nfs/dbraw/zinc/04/29/84/417042984.db2.gz RMYSYBDKRHMLFZ-HIFRSBDPSA-N 1 3 306.454 0.556 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785849 417102670 /nfs/dbraw/zinc/10/26/70/417102670.db2.gz NCQKCQWOZGCWDM-CQSZACIVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CCC(C)CC1 ZINC000642644542 417066762 /nfs/dbraw/zinc/06/67/62/417066762.db2.gz ZKGPWEDBKJKYNS-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000637379880 417082532 /nfs/dbraw/zinc/08/25/32/417082532.db2.gz KZPIHINAIIWXQC-CABCVRRESA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000637379880 417082540 /nfs/dbraw/zinc/08/25/40/417082540.db2.gz KZPIHINAIIWXQC-CABCVRRESA-N 1 3 310.442 0.321 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000642731706 417085886 /nfs/dbraw/zinc/08/58/86/417085886.db2.gz OQFCYSZDPLPBOW-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430966151 417092277 /nfs/dbraw/zinc/09/22/77/417092277.db2.gz NQOUBJUGLATDNN-SCRDCRAPSA-N 1 3 310.442 0.158 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642773415 417094866 /nfs/dbraw/zinc/09/48/66/417094866.db2.gz XBKBWJUWMVWUHW-RRFJBIMHSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903447 417113681 /nfs/dbraw/zinc/11/36/81/417113681.db2.gz JDZHTYMQXJYXFF-QLFBSQMISA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCC[C@H](C)C1 ZINC000642918844 417123044 /nfs/dbraw/zinc/12/30/44/417123044.db2.gz DYOKBKBUYFQEGO-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000568490438 417142158 /nfs/dbraw/zinc/14/21/58/417142158.db2.gz SAVMFUJHWXOIHO-CABCVRRESA-N 1 3 312.458 0.785 20 0 DCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000568490438 417142164 /nfs/dbraw/zinc/14/21/64/417142164.db2.gz SAVMFUJHWXOIHO-CABCVRRESA-N 1 3 312.458 0.785 20 0 DCADHO CCN1CCC[C@@H](NC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000626945965 417182960 /nfs/dbraw/zinc/18/29/60/417182960.db2.gz JWOQGDRFDDTLDX-OCCSQVGLSA-N 1 3 321.429 0.096 20 0 DCADHO CN(C)CCn1c2cc(C(=O)N3CC[C@H]([NH3+])C3)ccc2[nH]c1=O ZINC000637820837 417195233 /nfs/dbraw/zinc/19/52/33/417195233.db2.gz JKWXZDDVDOTJGL-LBPRGKRZSA-N 1 3 317.393 0.477 20 0 DCADHO CN(C)C1(CNC(=O)N[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000626984815 417198061 /nfs/dbraw/zinc/19/80/61/417198061.db2.gz LTNONWOOBZKZHK-OAHLLOKOSA-N 1 3 302.422 0.747 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000637829718 417199883 /nfs/dbraw/zinc/19/98/83/417199883.db2.gz QQVASVBBNOECJV-CQSZACIVSA-N 1 3 315.458 0.557 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637840736 417201568 /nfs/dbraw/zinc/20/15/68/417201568.db2.gz HVWRYBBOPGPPHW-WBVHZDCISA-N 1 3 304.438 0.689 20 0 DCADHO C[NH2+]C1CCN(C(=O)CCN(C)CCOCCOC)CC1 ZINC000637838971 417203870 /nfs/dbraw/zinc/20/38/70/417203870.db2.gz DXAWGDMGPRRDHV-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000637847840 417205454 /nfs/dbraw/zinc/20/54/54/417205454.db2.gz KYMIBRBLJCFFAR-UONOGXRCSA-N 1 3 301.431 0.167 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000637843505 417207715 /nfs/dbraw/zinc/20/77/15/417207715.db2.gz AIOKMYLGAMIKEV-KBMXLJTQSA-N 1 3 304.438 0.641 20 0 DCADHO CN(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000643460846 417215500 /nfs/dbraw/zinc/21/55/00/417215500.db2.gz PBERHAFTVFEVKJ-BFHYXJOUSA-N 1 3 303.472 0.778 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC[C@@H]1[NH3+] ZINC000643500334 417228069 /nfs/dbraw/zinc/22/80/69/417228069.db2.gz FPKGUJSEXMUADR-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000569226411 417228806 /nfs/dbraw/zinc/22/88/06/417228806.db2.gz SQKQFGBJDLQOKH-SUMWQHHRSA-N 1 3 315.421 0.772 20 0 DCADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000414333940 417276074 /nfs/dbraw/zinc/27/60/74/417276074.db2.gz UDKIRZRQOLHQSS-HNNXBMFYSA-N 1 3 322.501 0.849 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000638043083 417290798 /nfs/dbraw/zinc/29/07/98/417290798.db2.gz OJSVYXYVKGXIQL-CABCVRRESA-N 1 3 311.474 0.391 20 0 DCADHO CCn1cc(CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000621775576 417294739 /nfs/dbraw/zinc/29/47/39/417294739.db2.gz SFMDZAAUBOCWPV-OAHLLOKOSA-N 1 3 307.442 0.765 20 0 DCADHO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414673927 417295263 /nfs/dbraw/zinc/29/52/63/417295263.db2.gz RKZKXJIKERGJTG-ZIAGYGMSSA-N 1 3 311.426 0.459 20 0 DCADHO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414673927 417295266 /nfs/dbraw/zinc/29/52/66/417295266.db2.gz RKZKXJIKERGJTG-ZIAGYGMSSA-N 1 3 311.426 0.459 20 0 DCADHO CN(C(=O)CCCN1CCC([NH3+])CC1)[C@@H]1CCN(C2CC2)C1 ZINC000433118155 417232343 /nfs/dbraw/zinc/23/23/43/417232343.db2.gz QVOFZMIANOHJLK-MRXNPFEDSA-N 1 3 308.470 0.885 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000569244878 417233650 /nfs/dbraw/zinc/23/36/50/417233650.db2.gz BXUOHWOGDPRBAR-AVGNSLFASA-N 1 3 310.442 0.362 20 0 DCADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CC2 ZINC000643526151 417235673 /nfs/dbraw/zinc/23/56/73/417235673.db2.gz QZGIHKYYWSGAKW-APIJFGDWSA-N 1 3 322.453 0.266 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000627134996 417244677 /nfs/dbraw/zinc/24/46/77/417244677.db2.gz LJKYEYYFHQIBIJ-KFWWJZLASA-N 1 3 310.442 0.618 20 0 DCADHO C[C@@H]1C[C@H](CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC[NH2+]1 ZINC000414759020 417302209 /nfs/dbraw/zinc/30/22/09/417302209.db2.gz WAOCXCUULBPELK-KFWWJZLASA-N 1 3 315.483 0.874 20 0 DCADHO CN1CCC(n2cc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000632961839 417302625 /nfs/dbraw/zinc/30/26/25/417302625.db2.gz UALZEOVHAPIEAG-BETUJISGSA-N 1 3 318.425 0.833 20 0 DCADHO N[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000569843540 417303321 /nfs/dbraw/zinc/30/33/21/417303321.db2.gz FYPINRAUVIXCFG-JKSUJKDBSA-N 1 3 303.406 0.708 20 0 DCADHO O=C(CN1CC[NH2+]CC1)N1CCN(CC2CCCCC2)CC1 ZINC000638060593 417306204 /nfs/dbraw/zinc/30/62/04/417306204.db2.gz YHOBZOLPSHULHM-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000638086948 417320833 /nfs/dbraw/zinc/32/08/33/417320833.db2.gz XTBSZXKWNWCPBZ-QGZVFWFLSA-N 1 3 318.465 0.904 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000415022330 417321885 /nfs/dbraw/zinc/32/18/85/417321885.db2.gz LIQGHOMNIWZYDE-UHFFFAOYSA-N 1 3 306.410 0.755 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844608 417322376 /nfs/dbraw/zinc/32/23/76/417322376.db2.gz UINJHGQOFIISJL-YOEHRIQHSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638091530 417323073 /nfs/dbraw/zinc/32/30/73/417323073.db2.gz WZKSOPQYAXPFCU-YHUYYLMFSA-N 1 3 324.469 0.120 20 0 DCADHO COCCN(C)CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638091077 417324106 /nfs/dbraw/zinc/32/41/06/417324106.db2.gz JWHAOBDPJGSOSL-UHFFFAOYSA-N 1 3 305.422 0.569 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000627301319 417338552 /nfs/dbraw/zinc/33/85/52/417338552.db2.gz BLRLMCUHTWVGHG-CJNGLKHVSA-N 1 3 312.458 0.420 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000638123957 417342554 /nfs/dbraw/zinc/34/25/54/417342554.db2.gz AXJQZQUQQMADLQ-CABCVRRESA-N 1 3 311.426 0.206 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@]1(COC)CCCCN1 ZINC000638130636 417343910 /nfs/dbraw/zinc/34/39/10/417343910.db2.gz LUTUZJUVAPINDH-HOCLYGCPSA-N 1 3 315.458 0.618 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415214108 417344486 /nfs/dbraw/zinc/34/44/86/417344486.db2.gz MOAORDJYGISKDC-CHWSQXEVSA-N 1 3 308.430 1.084 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000627312249 417345590 /nfs/dbraw/zinc/34/55/90/417345590.db2.gz USTYJYHBNOEDFC-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000627312250 417346449 /nfs/dbraw/zinc/34/64/49/417346449.db2.gz USTYJYHBNOEDFC-MJBXVCDLSA-N 1 3 312.458 0.276 20 0 DCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638127886 417346395 /nfs/dbraw/zinc/34/63/95/417346395.db2.gz ZXOQCYVGMXXZTH-KRWDZBQOSA-N 1 3 316.449 0.625 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638248885 417391949 /nfs/dbraw/zinc/39/19/49/417391949.db2.gz SCFINDZAWSDRKE-KKUMJFAQSA-N 1 3 308.401 0.262 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CCC[C@H]2CN2CCCC2)nn1 ZINC000570804379 417395019 /nfs/dbraw/zinc/39/50/19/417395019.db2.gz UAWFVWYBARBBFM-ZDUSSCGKSA-N 1 3 306.414 0.327 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638271639 417397446 /nfs/dbraw/zinc/39/74/46/417397446.db2.gz YLMHTMQBBMIACG-CYBMUJFWSA-N 1 3 301.431 0.228 20 0 DCADHO CN1CCN(CC2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000638276691 417403926 /nfs/dbraw/zinc/40/39/26/417403926.db2.gz OJLCXKAHZPELGG-MRXNPFEDSA-N 1 3 306.454 0.520 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000627429840 417407808 /nfs/dbraw/zinc/40/78/08/417407808.db2.gz BGTMPWPBSQWCET-UHFFFAOYSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638305243 417414269 /nfs/dbraw/zinc/41/42/69/417414269.db2.gz SJIMHTJLXPICOA-VBNZEHGJSA-N 1 3 318.421 0.839 20 0 DCADHO NC(C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(F)(F)F ZINC000571047131 417418519 /nfs/dbraw/zinc/41/85/19/417418519.db2.gz UUUQYVXPVOQBID-VWYCJHECSA-N 1 3 309.332 0.621 20 0 DCADHO N[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@H]1c1ccccc1F ZINC000638348251 417431309 /nfs/dbraw/zinc/43/13/09/417431309.db2.gz FZCXTIWBUAXLHW-YSVLISHTSA-N 1 3 321.396 0.834 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638198799 417374187 /nfs/dbraw/zinc/37/41/87/417374187.db2.gz FMFVQZVDXNLYBT-XHSDSOJGSA-N 1 3 304.438 0.832 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CC[C@H]1C(F)(F)F ZINC000638548322 417486992 /nfs/dbraw/zinc/48/69/92/417486992.db2.gz MWGARKSKALWPOC-IJLUTSLNSA-N 1 3 323.359 0.741 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)NCC1([NH3+])CCOCC1 ZINC000638539000 417487324 /nfs/dbraw/zinc/48/73/24/417487324.db2.gz DSXBTEFPJIRWIA-UHFFFAOYSA-N 1 3 321.421 0.865 20 0 DCADHO NC(C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C(F)(F)F ZINC000638560296 417489158 /nfs/dbraw/zinc/48/91/58/417489158.db2.gz SFYWAGUBLZXNFN-QYNIQEEDSA-N 1 3 307.238 0.862 20 0 DCADHO C[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C(=O)NCCN(C)C ZINC000574926928 417493377 /nfs/dbraw/zinc/49/33/77/417493377.db2.gz RRYOVFZOSXXBGU-CYBMUJFWSA-N 1 3 321.425 0.090 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000529308471 417434691 /nfs/dbraw/zinc/43/46/91/417434691.db2.gz RGLLIQQYLCNYMF-LSDHHAIUSA-N 1 3 311.474 0.262 20 0 DCADHO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000529308471 417434695 /nfs/dbraw/zinc/43/46/95/417434695.db2.gz RGLLIQQYLCNYMF-LSDHHAIUSA-N 1 3 311.474 0.262 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000638427312 417452934 /nfs/dbraw/zinc/45/29/34/417452934.db2.gz ZFHKKQWHYMPVMN-IJEWVQPXSA-N 1 3 311.426 0.123 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1=O ZINC000638778762 417554619 /nfs/dbraw/zinc/55/46/19/417554619.db2.gz MHFYXILSWRAGQF-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO CC(=O)N1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635010887 417555554 /nfs/dbraw/zinc/55/55/54/417555554.db2.gz WLTDRIFGOJHKDT-UHFFFAOYSA-N 1 3 303.410 0.914 20 0 DCADHO COCCOCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634644084 417521868 /nfs/dbraw/zinc/52/18/68/417521868.db2.gz NZPIZYWTPYBBSF-QGZVFWFLSA-N 1 3 308.422 0.876 20 0 DCADHO COCCOCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634644084 417521871 /nfs/dbraw/zinc/52/18/71/417521871.db2.gz NZPIZYWTPYBBSF-QGZVFWFLSA-N 1 3 308.422 0.876 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926503 417587408 /nfs/dbraw/zinc/58/74/08/417587408.db2.gz HINNIYPCWVGZSN-OWCLPIDISA-N 1 3 302.422 0.409 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccn(C)n1 ZINC000576185845 417588839 /nfs/dbraw/zinc/58/88/39/417588839.db2.gz IKWWIXNVOZEKJD-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccn(C)n1 ZINC000576185845 417588843 /nfs/dbraw/zinc/58/88/43/417588843.db2.gz IKWWIXNVOZEKJD-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000576256660 417593843 /nfs/dbraw/zinc/59/38/43/417593843.db2.gz NUVCRAIERFYYAT-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1C[C@H](Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@@H+]1C ZINC000639042498 417609974 /nfs/dbraw/zinc/60/99/74/417609974.db2.gz FVNOMWDGRFVGJT-UONOGXRCSA-N 1 3 322.457 0.456 20 0 DCADHO C[C@H]1C[C@H](Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@H+]1C ZINC000639042498 417609978 /nfs/dbraw/zinc/60/99/78/417609978.db2.gz FVNOMWDGRFVGJT-UONOGXRCSA-N 1 3 322.457 0.456 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCNc2cc[nH+]cc2)C1(C)C ZINC000576035120 417573598 /nfs/dbraw/zinc/57/35/98/417573598.db2.gz DFKGEEQZUPMPKZ-CJNGLKHVSA-N 1 3 306.410 0.564 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000576639532 417624957 /nfs/dbraw/zinc/62/49/57/417624957.db2.gz CILLBIWVILXBDF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1=O ZINC000628746316 417686142 /nfs/dbraw/zinc/68/61/42/417686142.db2.gz BFCOFCGEIAHUHN-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1=O ZINC000628746316 417686148 /nfs/dbraw/zinc/68/61/48/417686148.db2.gz BFCOFCGEIAHUHN-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccn(C)n3)CC2)CC1 ZINC000578784333 417687731 /nfs/dbraw/zinc/68/77/31/417687731.db2.gz IEMPAYOCQUFKNQ-UHFFFAOYSA-N 1 3 319.453 1.555 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000531836875 417643578 /nfs/dbraw/zinc/64/35/78/417643578.db2.gz TUOTWOMQLOKBTE-HOTGVXAUSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000531836875 417643585 /nfs/dbraw/zinc/64/35/85/417643585.db2.gz TUOTWOMQLOKBTE-HOTGVXAUSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645262815 417720357 /nfs/dbraw/zinc/72/03/57/417720357.db2.gz HHEVFEDWQOJKEQ-QWHCGFSZSA-N 1 3 313.446 0.088 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000458163419 417727619 /nfs/dbraw/zinc/72/76/19/417727619.db2.gz JETNRWBFTOVYQZ-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000458163419 417727621 /nfs/dbraw/zinc/72/76/21/417727621.db2.gz JETNRWBFTOVYQZ-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCS(=O)(=O)NCCCN1CCC2(C1)CC[NH+](C)CC2 ZINC000639756960 417737922 /nfs/dbraw/zinc/73/79/22/417737922.db2.gz FEWQHYDCVFUMQU-UHFFFAOYSA-N 1 3 303.472 0.734 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000662636615 417831414 /nfs/dbraw/zinc/83/14/14/417831414.db2.gz ZWPYHXDNGWZIBQ-INIZCTEOSA-N 1 3 306.454 0.729 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCN1 ZINC000646329602 417835380 /nfs/dbraw/zinc/83/53/80/417835380.db2.gz OIHDFURDIQOSBV-QWHCGFSZSA-N 1 3 306.414 0.100 20 0 DCADHO Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)nnn1[C@@H]1CC[NH2+]C1 ZINC000662514583 417790855 /nfs/dbraw/zinc/79/08/55/417790855.db2.gz PAZTZFRVNVAMLQ-MJBXVCDLSA-N 1 3 318.425 0.287 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662526038 417793777 /nfs/dbraw/zinc/79/37/77/417793777.db2.gz OYOUAOQRHQRTMG-QGZVFWFLSA-N 1 3 316.449 0.975 20 0 DCADHO COC1CCN(CCNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000646181000 417798897 /nfs/dbraw/zinc/79/88/97/417798897.db2.gz PBKJHNYLWJNMMN-INIZCTEOSA-N 1 3 305.422 0.956 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)CN1C1CC1 ZINC000662539980 417799651 /nfs/dbraw/zinc/79/96/51/417799651.db2.gz QCOWIHZTCDXDSH-NEPJUHHUSA-N 1 3 318.425 0.558 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CCC[NH3+])nn1 ZINC000646182102 417802577 /nfs/dbraw/zinc/80/25/77/417802577.db2.gz LJRDPPYRCZWIQF-OLZOCXBDSA-N 1 3 306.414 0.326 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000646213143 417810023 /nfs/dbraw/zinc/81/00/23/417810023.db2.gz CKYZQGDIQZEGPB-ZNMIVQPWSA-N 1 3 311.474 0.534 20 0 DCADHO CN(CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CC1 ZINC000662696759 417857245 /nfs/dbraw/zinc/85/72/45/417857245.db2.gz UKFBJTBOWREDEW-ZDUSSCGKSA-N 1 3 306.414 0.417 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662703969 417862031 /nfs/dbraw/zinc/86/20/31/417862031.db2.gz QEPQHZCCZMBJCB-GFCCVEGCSA-N 1 3 306.414 0.417 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000636108259 417871976 /nfs/dbraw/zinc/87/19/76/417871976.db2.gz BYWZLRQLLLTHLO-UONOGXRCSA-N 1 3 307.442 0.903 20 0 DCADHO CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000662720216 417872048 /nfs/dbraw/zinc/87/20/48/417872048.db2.gz WFLFMCYGHJPRHP-DGCLKSJQSA-N 1 3 303.410 0.795 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCN1C ZINC000662731307 417876729 /nfs/dbraw/zinc/87/67/29/417876729.db2.gz BJAUXPJFGYTHEG-RDBSUJKOSA-N 1 3 320.441 0.805 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662748599 417884129 /nfs/dbraw/zinc/88/41/29/417884129.db2.gz CBTNQAQUMPZJLZ-GFCCVEGCSA-N 1 3 307.398 0.522 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662748599 417884134 /nfs/dbraw/zinc/88/41/34/417884134.db2.gz CBTNQAQUMPZJLZ-GFCCVEGCSA-N 1 3 307.398 0.522 20 0 DCADHO C[C@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCC[NH2+]C1 ZINC000662749497 417885363 /nfs/dbraw/zinc/88/53/63/417885363.db2.gz IVROXUHPKFPTLL-MNOVXSKESA-N 1 3 307.398 0.283 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(NC4CC4)CCC3)CC2)C1 ZINC000662756635 417893014 /nfs/dbraw/zinc/89/30/14/417893014.db2.gz JAQKNGHMBFTPEU-INIZCTEOSA-N 1 3 320.481 0.900 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C3(NC4CC4)CCC3)CC2)C1 ZINC000662756635 417893020 /nfs/dbraw/zinc/89/30/20/417893020.db2.gz JAQKNGHMBFTPEU-INIZCTEOSA-N 1 3 320.481 0.900 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662756022 417893237 /nfs/dbraw/zinc/89/32/37/417893237.db2.gz GXIGTKMWXRLHFN-LSDHHAIUSA-N 1 3 310.486 0.764 20 0 DCADHO O=C(c1cccc2c1CCNC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662777101 417899820 /nfs/dbraw/zinc/89/98/20/417899820.db2.gz CWESOGYSQRQLHU-OAHLLOKOSA-N 1 3 314.433 0.452 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662795222 417908249 /nfs/dbraw/zinc/90/82/49/417908249.db2.gz XSDXCQZMXCHFDI-BSWAZPDLSA-N 1 3 317.433 0.987 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)nn1 ZINC000662835378 417919926 /nfs/dbraw/zinc/91/99/26/417919926.db2.gz MQCNKVNIXIVTRE-UKRRQHHQSA-N 1 3 320.441 0.764 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662837250 417921126 /nfs/dbraw/zinc/92/11/26/417921126.db2.gz HRAYKEFBWOGOGJ-ILXRZTDVSA-N 1 3 322.453 0.378 20 0 DCADHO [NH3+]CCCOC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000646831859 417924490 /nfs/dbraw/zinc/92/44/90/417924490.db2.gz BXIFLSQCFGBLLL-LBPRGKRZSA-N 1 3 301.456 0.438 20 0 DCADHO C[C@H]([NH3+])CCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662859433 417928083 /nfs/dbraw/zinc/92/80/83/417928083.db2.gz MMLJVNSBFWINTI-XJKSGUPXSA-N 1 3 305.422 0.997 20 0 DCADHO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000662860112 417928570 /nfs/dbraw/zinc/92/85/70/417928570.db2.gz QHVGEDQDYBGXKJ-BZUAXINKSA-N 1 3 303.406 0.607 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662878631 417936654 /nfs/dbraw/zinc/93/66/54/417936654.db2.gz XBUQBKSWINLOGT-SOUVJXGZSA-N 1 3 305.378 0.650 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684436 417945128 /nfs/dbraw/zinc/94/51/28/417945128.db2.gz NPIKMXTVTHCXBU-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713213 417953033 /nfs/dbraw/zinc/95/30/33/417953033.db2.gz JGKXXGMSOMYPPZ-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662937758 417957412 /nfs/dbraw/zinc/95/74/12/417957412.db2.gz KRSXASSCVBVMMS-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)[nH]1 ZINC000647001686 417970183 /nfs/dbraw/zinc/97/01/83/417970183.db2.gz MSTSOCKQFHQXQT-SNVBAGLBSA-N 1 3 300.366 0.869 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@H](C[NH3+])C1 ZINC000662985866 417971467 /nfs/dbraw/zinc/97/14/67/417971467.db2.gz CJECROCFVCTTAR-MCIONIFRSA-N 1 3 310.442 0.125 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1cn(C)nc1-c1ccncc1 ZINC000647492890 418014529 /nfs/dbraw/zinc/01/45/29/418014529.db2.gz GNWNLXYKCJSQEM-UHFFFAOYSA-N 1 3 314.437 0.819 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000663493491 418027248 /nfs/dbraw/zinc/02/72/48/418027248.db2.gz IHPUMSCKDOYLFS-LBPRGKRZSA-N 1 3 307.467 0.268 20 0 DCADHO CCN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC000658830119 418029332 /nfs/dbraw/zinc/02/93/32/418029332.db2.gz QCHBXWYUOFTIMB-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653124970 418034364 /nfs/dbraw/zinc/03/43/64/418034364.db2.gz NVCUEQNUZGYDQP-DJIMGWMZSA-N 1 3 322.497 0.907 20 0 DCADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653140039 418036488 /nfs/dbraw/zinc/03/64/88/418036488.db2.gz JNRKUEZVLREOFB-INIZCTEOSA-N 1 3 324.444 0.995 20 0 DCADHO CC(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000658944884 418040621 /nfs/dbraw/zinc/04/06/21/418040621.db2.gz LDSAWXRXLWMUFR-FRRDWIJNSA-N 1 3 302.440 0.800 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)C2)nn1 ZINC000653163698 418040860 /nfs/dbraw/zinc/04/08/60/418040860.db2.gz OQGHBWFEPKXECL-QLFBSQMISA-N 1 3 318.425 0.431 20 0 DCADHO CC1(OCC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CNC1 ZINC000653184841 418042029 /nfs/dbraw/zinc/04/20/29/418042029.db2.gz SQLBEKYQAWAXJQ-MELADBBJSA-N 1 3 311.426 0.110 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])CC1 ZINC000653240629 418046125 /nfs/dbraw/zinc/04/61/25/418046125.db2.gz QEPPPEDCTSMBDD-HOTGVXAUSA-N 1 3 310.486 0.990 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648153396 418108411 /nfs/dbraw/zinc/10/84/11/418108411.db2.gz GCUXVDZGDGKQOQ-CYBMUJFWSA-N 1 3 318.412 0.327 20 0 DCADHO COc1ccc([C@H](CN2CCCC2)NC(=O)COCC[NH3+])cc1 ZINC000648169569 418112036 /nfs/dbraw/zinc/11/20/36/418112036.db2.gz YEHKABSLAFUZKE-INIZCTEOSA-N 1 3 321.421 0.924 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000659111934 418063115 /nfs/dbraw/zinc/06/31/15/418063115.db2.gz MZZBZWJCCREHGC-LBPRGKRZSA-N 1 3 322.409 0.290 20 0 DCADHO Cc1noc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000663944062 418068958 /nfs/dbraw/zinc/06/89/58/418068958.db2.gz ZTRFSXFYURDAJL-NSHDSACASA-N 1 3 312.418 0.449 20 0 DCADHO Cc1noc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000663944062 418068960 /nfs/dbraw/zinc/06/89/60/418068960.db2.gz ZTRFSXFYURDAJL-NSHDSACASA-N 1 3 312.418 0.449 20 0 DCADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000647977396 418081982 /nfs/dbraw/zinc/08/19/82/418081982.db2.gz AUUSFRYWZQJPNO-OWCLPIDISA-N 1 3 309.454 0.993 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000664066259 418082639 /nfs/dbraw/zinc/08/26/39/418082639.db2.gz SSMDRPZRHGEBIG-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659452732 418099199 /nfs/dbraw/zinc/09/91/99/418099199.db2.gz QFRQGOXWLUZLPD-UONOGXRCSA-N 1 3 300.447 0.770 20 0 DCADHO CCN(C(=O)NCC[N@H+](C)CCCOC)[C@H]1CCN(C)C1 ZINC000664219140 418099296 /nfs/dbraw/zinc/09/92/96/418099296.db2.gz LXOXEIOHHFGMOQ-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CCN(C(=O)NCC[N@@H+](C)CCCOC)[C@H]1CCN(C)C1 ZINC000664219140 418099300 /nfs/dbraw/zinc/09/93/00/418099300.db2.gz LXOXEIOHHFGMOQ-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493703 418104576 /nfs/dbraw/zinc/10/45/76/418104576.db2.gz LCCHJZWSCZDZTP-JTQLQIEISA-N 1 3 310.402 0.169 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493703 418104580 /nfs/dbraw/zinc/10/45/80/418104580.db2.gz LCCHJZWSCZDZTP-JTQLQIEISA-N 1 3 310.402 0.169 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000659610273 418126970 /nfs/dbraw/zinc/12/69/70/418126970.db2.gz NOHLLMNRBIHDPV-SOUVJXGZSA-N 1 3 320.441 0.341 20 0 DCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632022 418133617 /nfs/dbraw/zinc/13/36/17/418133617.db2.gz NTTOZZWLAFRZIQ-NSHDSACASA-N 1 3 322.413 0.124 20 0 DCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632022 418133620 /nfs/dbraw/zinc/13/36/20/418133620.db2.gz NTTOZZWLAFRZIQ-NSHDSACASA-N 1 3 322.413 0.124 20 0 DCADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380871 418137786 /nfs/dbraw/zinc/13/77/86/418137786.db2.gz IINAZOHSLKYTCG-LJISPDSOSA-N 1 3 308.426 0.074 20 0 DCADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380871 418137789 /nfs/dbraw/zinc/13/77/89/418137789.db2.gz IINAZOHSLKYTCG-LJISPDSOSA-N 1 3 308.426 0.074 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654733007 418179850 /nfs/dbraw/zinc/17/98/50/418179850.db2.gz LKBHKJJYAUXFKG-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654733007 418179852 /nfs/dbraw/zinc/17/98/52/418179852.db2.gz LKBHKJJYAUXFKG-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N1CCC(C)CC1 ZINC000659689273 418146975 /nfs/dbraw/zinc/14/69/75/418146975.db2.gz YTMBVXVMIADVCC-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659688860 418147812 /nfs/dbraw/zinc/14/78/12/418147812.db2.gz MSUIXMIIMYXECF-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCC(C)CC1 ZINC000659688885 418147924 /nfs/dbraw/zinc/14/79/24/418147924.db2.gz NJKHWKWIEVPDLY-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1O ZINC000664743939 418149747 /nfs/dbraw/zinc/14/97/47/418149747.db2.gz YRRXUSHRJYUGKW-KBPBESRZSA-N 1 3 312.458 0.425 20 0 DCADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659709725 418156270 /nfs/dbraw/zinc/15/62/70/418156270.db2.gz KYXSEDNPFYTZJT-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654562669 418161312 /nfs/dbraw/zinc/16/13/12/418161312.db2.gz LNPDEBCXIMPLIZ-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654562669 418161315 /nfs/dbraw/zinc/16/13/15/418161315.db2.gz LNPDEBCXIMPLIZ-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO CO[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664928962 418162467 /nfs/dbraw/zinc/16/24/67/418162467.db2.gz YWZNIZZIRPLRTH-BFHYXJOUSA-N 1 3 302.463 0.981 20 0 DCADHO CO[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664928962 418162470 /nfs/dbraw/zinc/16/24/70/418162470.db2.gz YWZNIZZIRPLRTH-BFHYXJOUSA-N 1 3 302.463 0.981 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659722779 418162515 /nfs/dbraw/zinc/16/25/15/418162515.db2.gz PCFADCMUZKQRBI-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H]1CCN(CCC)C1)C1CC[NH2+]CC1 ZINC000659739051 418171243 /nfs/dbraw/zinc/17/12/43/418171243.db2.gz MCBPLKSOAOZQAC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000649336537 418242241 /nfs/dbraw/zinc/24/22/41/418242241.db2.gz BSGLEUYVIMWGCW-IIAWOOMASA-N 1 3 309.454 0.992 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000649352620 418246717 /nfs/dbraw/zinc/24/67/17/418246717.db2.gz ALPXLVSWUWJCSR-DOTOQJQBSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)CN1CCN(C)CC1 ZINC000649351260 418247519 /nfs/dbraw/zinc/24/75/19/418247519.db2.gz BUYWZMPYRMUOAF-QWHCGFSZSA-N 1 3 318.412 0.231 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000654775550 418187057 /nfs/dbraw/zinc/18/70/57/418187057.db2.gz OTIDFGOWTQGFBL-LSDHHAIUSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000654775550 418187059 /nfs/dbraw/zinc/18/70/59/418187059.db2.gz OTIDFGOWTQGFBL-LSDHHAIUSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000649074772 418192637 /nfs/dbraw/zinc/19/26/37/418192637.db2.gz PGJRNUZRPUBYCY-MELADBBJSA-N 1 3 310.442 0.438 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(O)CC1 ZINC000665637073 418229467 /nfs/dbraw/zinc/22/94/67/418229467.db2.gz SHMRHXPGFIHMNY-ZDUSSCGKSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(O)CC1 ZINC000665637073 418229469 /nfs/dbraw/zinc/22/94/69/418229469.db2.gz SHMRHXPGFIHMNY-ZDUSSCGKSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000655714317 418289508 /nfs/dbraw/zinc/28/95/08/418289508.db2.gz AMABGKFTLDWUKW-WMZOPIPTSA-N 1 3 324.513 0.855 20 0 DCADHO C[C@H](CN1CCN(C)CC1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655712432 418290523 /nfs/dbraw/zinc/29/05/23/418290523.db2.gz NGBLRDKDSVSBOQ-SJLPKXTDSA-N 1 3 324.513 0.855 20 0 DCADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660844169 418293706 /nfs/dbraw/zinc/29/37/06/418293706.db2.gz GJERHOWXQSFUCH-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660844169 418293707 /nfs/dbraw/zinc/29/37/07/418293707.db2.gz GJERHOWXQSFUCH-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCN(CCN(C)C)C(=O)C2)C1 ZINC000660911281 418304285 /nfs/dbraw/zinc/30/42/85/418304285.db2.gz BBLOKIDSMZRLQV-HOTGVXAUSA-N 1 3 310.486 0.670 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656029386 418321913 /nfs/dbraw/zinc/32/19/13/418321913.db2.gz ZFUXMIMCJVGXEH-KKUMJFAQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)CN1CCN(C)CC1 ZINC000655449829 418263193 /nfs/dbraw/zinc/26/31/93/418263193.db2.gz QJNLOQBKXUSANM-VYDXJSESSA-N 1 3 308.470 0.376 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000655489371 418267203 /nfs/dbraw/zinc/26/72/03/418267203.db2.gz PGAIMYLJUKTPPR-IQNXINDISA-N 1 3 309.454 0.975 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000650896341 418332448 /nfs/dbraw/zinc/33/24/48/418332448.db2.gz XAZIKDBMVWKKNA-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000661970277 418373322 /nfs/dbraw/zinc/37/33/22/418373322.db2.gz NGWPXWRUAQEKPC-KRWDZBQOSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000661970277 418373326 /nfs/dbraw/zinc/37/33/26/418373326.db2.gz NGWPXWRUAQEKPC-KRWDZBQOSA-N 1 3 313.486 0.732 20 0 DCADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC[C@@H]1CCCO1 ZINC000662295650 418399123 /nfs/dbraw/zinc/39/91/23/418399123.db2.gz WETGTMYZYCDVGE-HOTGVXAUSA-N 1 3 309.454 0.993 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC1 ZINC000179163496 261111910 /nfs/dbraw/zinc/11/19/10/261111910.db2.gz WATICZPYUJALFV-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC1 ZINC000179163496 261111912 /nfs/dbraw/zinc/11/19/12/261111912.db2.gz WATICZPYUJALFV-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000187412461 261123996 /nfs/dbraw/zinc/12/39/96/261123996.db2.gz FAHXVAPIAUMRAR-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354785062 261271545 /nfs/dbraw/zinc/27/15/45/261271545.db2.gz IKIIHAHHHGERKF-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000354782076 261271588 /nfs/dbraw/zinc/27/15/88/261271588.db2.gz FZMUXVKMXKZMON-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000354782076 261271590 /nfs/dbraw/zinc/27/15/90/261271590.db2.gz FZMUXVKMXKZMON-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO [NH3+]C[C@@H](C(=O)NCCCN1CCC(O)CC1)c1ccc(F)cc1 ZINC000358855075 261707124 /nfs/dbraw/zinc/70/71/24/261707124.db2.gz ICNNOIYNTRWVME-MRXNPFEDSA-N 1 3 323.412 0.831 20 0 DCADHO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)[C@@H](C(C)C)C2)C1 ZINC000362855128 262081425 /nfs/dbraw/zinc/08/14/25/262081425.db2.gz YNLKIRSMUJCVSV-LSDHHAIUSA-N 1 3 312.458 0.689 20 0 DCADHO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)[C@@H](C(C)C)C2)C1 ZINC000362855128 262081427 /nfs/dbraw/zinc/08/14/27/262081427.db2.gz YNLKIRSMUJCVSV-LSDHHAIUSA-N 1 3 312.458 0.689 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)N(C)C ZINC000363538122 262119830 /nfs/dbraw/zinc/11/98/30/262119830.db2.gz MNJKSMDWMLVCGI-KGLIPLIRSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)N(C)C ZINC000363538122 262119833 /nfs/dbraw/zinc/11/98/33/262119833.db2.gz MNJKSMDWMLVCGI-KGLIPLIRSA-N 1 3 310.442 0.267 20 0 DCADHO CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NC1CC[NH+](CC)CC1 ZINC000411529908 262173218 /nfs/dbraw/zinc/17/32/18/262173218.db2.gz IPOBSSJCFPDBRS-OLZOCXBDSA-N 1 3 313.442 0.764 20 0 DCADHO CCN1CCC(NC(=O)C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000411787136 262176107 /nfs/dbraw/zinc/17/61/07/262176107.db2.gz KLJOKVPDKGKLBO-AEFFLSMTSA-N 1 3 323.481 0.974 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H](C)CN1 ZINC000416984130 262243295 /nfs/dbraw/zinc/24/32/95/262243295.db2.gz XNZRLFGUNTVGNO-ZIAGYGMSSA-N 1 3 311.474 0.404 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417302541 262250149 /nfs/dbraw/zinc/25/01/49/262250149.db2.gz WVBZDMHMROWIEI-UONOGXRCSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@H](CNC(=O)N(CC[NH3+])CCO)N(C)Cc1ccccc1 ZINC000417575262 262255706 /nfs/dbraw/zinc/25/57/06/262255706.db2.gz FKGZNBQBPQHIEW-CQSZACIVSA-N 1 3 308.426 0.470 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000417826916 262263212 /nfs/dbraw/zinc/26/32/12/262263212.db2.gz NHDCBLZIMQGQBB-LSDHHAIUSA-N 1 3 312.483 0.819 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000417856570 262263951 /nfs/dbraw/zinc/26/39/51/262263951.db2.gz MRZBPXDOKIXFMD-ZIAGYGMSSA-N 1 3 309.458 0.206 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418108623 262269948 /nfs/dbraw/zinc/26/99/48/262269948.db2.gz BBVZDPFWKNFORV-ZIAGYGMSSA-N 1 3 300.447 0.642 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418158469 262271801 /nfs/dbraw/zinc/27/18/01/262271801.db2.gz CBSXRABUPILKFJ-UHFFFAOYSA-N 1 3 313.490 0.829 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000418287439 262273701 /nfs/dbraw/zinc/27/37/01/262273701.db2.gz KBVLKWPUYCIBRP-HNNXBMFYSA-N 1 3 311.474 0.406 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000418753763 262286741 /nfs/dbraw/zinc/28/67/41/262286741.db2.gz ALYOVDVJPYXSGU-AWEZNQCLSA-N 1 3 300.447 0.735 20 0 DCADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418758656 262287383 /nfs/dbraw/zinc/28/73/83/262287383.db2.gz FPBWOSVLFJUZAG-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@@H]2CNCCO2)C2CC3CC(C2)CC1C3 ZINC000418776485 262289419 /nfs/dbraw/zinc/28/94/19/262289419.db2.gz XMOKCSRYAQPYEP-RWUOKQAASA-N 1 3 322.453 0.428 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419000430 262302760 /nfs/dbraw/zinc/30/27/60/262302760.db2.gz RLUKRHOFMHIMSM-CYBMUJFWSA-N 1 3 320.437 0.479 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419017680 262305771 /nfs/dbraw/zinc/30/57/71/262305771.db2.gz BFXHTSIQVTZEPS-XJFOESAGSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419073299 262306866 /nfs/dbraw/zinc/30/68/66/262306866.db2.gz CIFGCCUWXNNQAO-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419079688 262307407 /nfs/dbraw/zinc/30/74/07/262307407.db2.gz NHJZNMGBIPMBAI-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419082254 262307798 /nfs/dbraw/zinc/30/77/98/262307798.db2.gz UJTJLNWVGWLNGN-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000419119460 262310637 /nfs/dbraw/zinc/31/06/37/262310637.db2.gz JWIDUOTYCITPQE-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N(C)CCN)[N@H+](C)Cc1ccccc1 ZINC000419201631 262319508 /nfs/dbraw/zinc/31/95/08/262319508.db2.gz MMXVSWAMBSSFJM-AWEZNQCLSA-N 1 3 320.437 0.430 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N(C)CCN)[N@@H+](C)Cc1ccccc1 ZINC000419201631 262319509 /nfs/dbraw/zinc/31/95/09/262319509.db2.gz MMXVSWAMBSSFJM-AWEZNQCLSA-N 1 3 320.437 0.430 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000419234739 262321720 /nfs/dbraw/zinc/32/17/20/262321720.db2.gz IIKCZEOZELVBBT-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419235727 262321829 /nfs/dbraw/zinc/32/18/29/262321829.db2.gz ZHJIZEBOGDZDQQ-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCC1 ZINC000419234209 262321928 /nfs/dbraw/zinc/32/19/28/262321928.db2.gz HUELJRCRGCJXAB-UHFFFAOYSA-N 1 3 310.442 0.365 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232846 262321946 /nfs/dbraw/zinc/32/19/46/262321946.db2.gz VMNRCKVMFYBWCZ-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419376488 262328765 /nfs/dbraw/zinc/32/87/65/262328765.db2.gz TWLHOEJHAGNZJP-GJZGRUSLSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419411327 262331340 /nfs/dbraw/zinc/33/13/40/262331340.db2.gz BNFINJPNIGZEDT-ZFWWWQNUSA-N 1 3 318.421 0.403 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419419996 262332603 /nfs/dbraw/zinc/33/26/03/262332603.db2.gz ZWZUBJYECKTQPQ-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419429466 262332960 /nfs/dbraw/zinc/33/29/60/262332960.db2.gz UUZZLTIIFDLRCG-CZUORRHYSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419485126 262334313 /nfs/dbraw/zinc/33/43/13/262334313.db2.gz VBCOCNYNMCYYPW-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419485126 262334314 /nfs/dbraw/zinc/33/43/14/262334314.db2.gz VBCOCNYNMCYYPW-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCC[C@H](C)C1 ZINC000419913110 262352451 /nfs/dbraw/zinc/35/24/51/262352451.db2.gz MNFNHVWSZRMSPY-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419927332 262353327 /nfs/dbraw/zinc/35/33/27/262353327.db2.gz CIDPVXWVQGGLOL-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419929999 262353371 /nfs/dbraw/zinc/35/33/71/262353371.db2.gz NQLAWKQQKOLNTN-LSDHHAIUSA-N 1 3 318.421 0.355 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000419979267 262355049 /nfs/dbraw/zinc/35/50/49/262355049.db2.gz PEDVEJFFHZHPAY-UONOGXRCSA-N 1 3 312.458 0.417 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CCC1 ZINC000419987661 262355644 /nfs/dbraw/zinc/35/56/44/262355644.db2.gz YOUUQYIUTMUPMF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159034 262364823 /nfs/dbraw/zinc/36/48/23/262364823.db2.gz HOOKBBWBOKFIJB-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000422131747 262398393 /nfs/dbraw/zinc/39/83/93/262398393.db2.gz HMYUICRIFMEYIY-UONOGXRCSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000423403970 262442779 /nfs/dbraw/zinc/44/27/79/262442779.db2.gz XMAXPQAGYODZKM-RDBSUJKOSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000423403970 262442781 /nfs/dbraw/zinc/44/27/81/262442781.db2.gz XMAXPQAGYODZKM-RDBSUJKOSA-N 1 3 310.442 0.078 20 0 DCADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC(=O)NCC(F)(F)F ZINC000358497846 271052769 /nfs/dbraw/zinc/05/27/69/271052769.db2.gz LKZYVPXAZCAKOP-UHFFFAOYSA-N 1 3 322.331 0.450 20 0 DCADHO CSC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000363765537 271204491 /nfs/dbraw/zinc/20/44/91/271204491.db2.gz FBTUWGDOEXHCEQ-HIFRSBDPSA-N 1 3 301.500 0.811 20 0 DCADHO CSC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000363765536 271204624 /nfs/dbraw/zinc/20/46/24/271204624.db2.gz FBTUWGDOEXHCEQ-DZGCQCFKSA-N 1 3 301.500 0.811 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418712032 271249884 /nfs/dbraw/zinc/24/98/84/271249884.db2.gz NPMIXCCCHBUUKZ-NVXWUHKLSA-N 1 3 320.437 0.660 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418721552 271251999 /nfs/dbraw/zinc/25/19/99/271251999.db2.gz MIWTWKFCDYEXKT-CBBWQLFWSA-N 1 3 312.458 0.600 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CCCCC1 ZINC000418825058 271257345 /nfs/dbraw/zinc/25/73/45/271257345.db2.gz BHXHTESVISMLCQ-KRWDZBQOSA-N 1 3 324.469 0.564 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419028429 271265369 /nfs/dbraw/zinc/26/53/69/271265369.db2.gz QJIXPBYHUCAULU-HZSPNIEDSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419031342 271268109 /nfs/dbraw/zinc/26/81/09/271268109.db2.gz VEWFVZPEONJGQU-BARDWOONSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419033215 271269844 /nfs/dbraw/zinc/26/98/44/271269844.db2.gz YFHQEERLCUWDBP-MCIONIFRSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419140984 271276023 /nfs/dbraw/zinc/27/60/23/271276023.db2.gz AAIFHGJTMXQPIP-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])C1CC1 ZINC000419521884 271296613 /nfs/dbraw/zinc/29/66/13/271296613.db2.gz LJIQEELORJZYAN-GXTWGEPZSA-N 1 3 310.442 0.315 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])C1CC1 ZINC000419521886 271297080 /nfs/dbraw/zinc/29/70/80/271297080.db2.gz LJIQEELORJZYAN-OCCSQVGLSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419522786 271298493 /nfs/dbraw/zinc/29/84/93/271298493.db2.gz NLRLLZGSBDYYLG-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@H](C)N(C)C1CC1)C1CC[NH2+]CC1 ZINC000419584652 271310898 /nfs/dbraw/zinc/31/08/98/271310898.db2.gz LCSHXQRYHLAKBL-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1CN ZINC000419814934 271327802 /nfs/dbraw/zinc/32/78/02/271327802.db2.gz HKTSPNUTHVWIJS-APIJFGDWSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1CN ZINC000419814934 271327804 /nfs/dbraw/zinc/32/78/04/271327804.db2.gz HKTSPNUTHVWIJS-APIJFGDWSA-N 1 3 322.453 0.315 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2CN)CCCCC1 ZINC000419833943 271332069 /nfs/dbraw/zinc/33/20/69/271332069.db2.gz ZSIVPCSTTFQZBK-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419858186 271333252 /nfs/dbraw/zinc/33/32/52/271333252.db2.gz WEOIIWQYEIWQNE-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420117306 271358269 /nfs/dbraw/zinc/35/82/69/271358269.db2.gz HIMRJBUMVCSBRX-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000422773049 271383645 /nfs/dbraw/zinc/38/36/45/271383645.db2.gz XXVYBJPNQZFGIF-HUUCEWRRSA-N 1 3 324.469 0.598 20 0 DCADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1C[NH3+] ZINC000424055034 271394915 /nfs/dbraw/zinc/39/49/15/271394915.db2.gz BAYQCHKXKGPJJE-BARDWOONSA-N 1 3 324.469 0.228 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424126373 271398138 /nfs/dbraw/zinc/39/81/38/271398138.db2.gz BLNXMVWHUPIIDN-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO Cn1ccc(N2CCC[C@H](N3CCC[C@H](CC[NH3+])C3)C2=O)n1 ZINC000443063028 271696838 /nfs/dbraw/zinc/69/68/38/271696838.db2.gz VJJUDBKDCMHLIC-KGLIPLIRSA-N 1 3 305.426 0.976 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000459899341 272017506 /nfs/dbraw/zinc/01/75/06/272017506.db2.gz QFRNETIDNBKKDN-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000459899341 272017509 /nfs/dbraw/zinc/01/75/09/272017509.db2.gz QFRNETIDNBKKDN-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)/C=C\C[NH+](C)C)ccn1 ZINC000492247958 272118504 /nfs/dbraw/zinc/11/85/04/272118504.db2.gz BPPDTHOWHAQIIV-WAYWQWQTSA-N 1 3 306.410 0.756 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)CCC[NH2+]1 ZINC000521591174 272536541 /nfs/dbraw/zinc/53/65/41/272536541.db2.gz QIGBIELNWHYVNC-HZPDHXFCSA-N 1 3 310.442 0.492 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000515342232 287652556 /nfs/dbraw/zinc/65/25/56/287652556.db2.gz KXDOYUVVJBAGQD-GJZGRUSLSA-N 1 3 313.490 0.639 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000237331474 273965823 /nfs/dbraw/zinc/96/58/23/273965823.db2.gz OIDWBHAKOXJFEN-ZDUSSCGKSA-N 1 3 320.437 0.450 20 0 DCADHO CN1CCN(CCCNC(=O)CC[NH3+])[C@H](c2ccccc2)C1 ZINC000262157254 277105028 /nfs/dbraw/zinc/10/50/28/277105028.db2.gz OPSADICGPNOPFK-INIZCTEOSA-N 1 3 304.438 0.830 20 0 DCADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000261983247 277266191 /nfs/dbraw/zinc/26/61/91/277266191.db2.gz IXUZUAULSLYMGD-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@@H](C)O1 ZINC000375257503 277888687 /nfs/dbraw/zinc/88/86/87/277888687.db2.gz YPEQPTVFZILVFF-AIANPOQGSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333708895 288134678 /nfs/dbraw/zinc/13/46/78/288134678.db2.gz RXVOYXYKVCRMBW-KGLIPLIRSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CN(C2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)CCO1 ZINC000336867768 288134695 /nfs/dbraw/zinc/13/46/95/288134695.db2.gz UEHJELJNKJWQKZ-RHSMWYFYSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)CCO1 ZINC000336867768 288134696 /nfs/dbraw/zinc/13/46/96/288134696.db2.gz UEHJELJNKJWQKZ-RHSMWYFYSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(CCN2CCOC[C@@H]2C)CC[N@H+]1C1CCN(C)CC1 ZINC000337187222 288172194 /nfs/dbraw/zinc/17/21/94/288172194.db2.gz PWGIZYZJVDUEHJ-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN(CCN2CCOC[C@@H]2C)CC[N@@H+]1C1CCN(C)CC1 ZINC000337187222 288172196 /nfs/dbraw/zinc/17/21/96/288172196.db2.gz PWGIZYZJVDUEHJ-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN(CCN2CCOC[C@@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000337187222 288172198 /nfs/dbraw/zinc/17/21/98/288172198.db2.gz PWGIZYZJVDUEHJ-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO CCS(=O)(=O)NCCC[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000331688754 280020228 /nfs/dbraw/zinc/02/02/28/280020228.db2.gz SSUWSPXRBLIXSE-CQSZACIVSA-N 1 3 303.472 0.734 20 0 DCADHO CCS(=O)(=O)NCCC[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000331688754 280020229 /nfs/dbraw/zinc/02/02/29/280020229.db2.gz SSUWSPXRBLIXSE-CQSZACIVSA-N 1 3 303.472 0.734 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC000152641639 280071523 /nfs/dbraw/zinc/07/15/23/280071523.db2.gz VQRJMQAPTXEESP-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CN(C)CCNC(=O)[C@H]1CCC[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000131242498 289163383 /nfs/dbraw/zinc/16/33/83/289163383.db2.gz GJKUDIFUUDRKFK-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H](O)CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@@H]1C ZINC000279012982 290109854 /nfs/dbraw/zinc/10/98/54/290109854.db2.gz NTLDIBFINBEPPK-RWMBFGLXSA-N 1 3 321.425 0.014 20 0 DCADHO NC[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000294969160 303390968 /nfs/dbraw/zinc/39/09/68/303390968.db2.gz IYDXILFFQCAJJJ-HZPDHXFCSA-N 1 3 302.422 0.235 20 0 DCADHO CCN1CC[NH+](C[C@@H](C)CNc2ccncc2C(N)=O)CC1 ZINC000189446323 333087636 /nfs/dbraw/zinc/08/76/36/333087636.db2.gz PDVBZJMOHSJUJV-ZDUSSCGKSA-N 1 3 305.426 0.866 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@@H]2c2ccncc2)C1 ZINC000584350926 336060654 /nfs/dbraw/zinc/06/06/54/336060654.db2.gz IUMQTAVZNZLERW-GDBMZVCRSA-N 1 3 317.437 0.225 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000582963682 337219377 /nfs/dbraw/zinc/21/93/77/337219377.db2.gz ZIZKMOMDZLPGHR-OWCLPIDISA-N 1 3 308.470 0.741 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000584459497 337343940 /nfs/dbraw/zinc/34/39/40/337343940.db2.gz OUGOXFOTFFAXIY-HOTGVXAUSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)[C@@]1(CNC(=O)COC2CC[NH2+]CC2)CCSC1 ZINC000584527745 337356158 /nfs/dbraw/zinc/35/61/58/337356158.db2.gz FOICSVBFSAMTEP-CQSZACIVSA-N 1 3 301.456 0.309 20 0 DCADHO CC[C@H](C)N(C)CC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000584585730 337369371 /nfs/dbraw/zinc/36/93/71/337369371.db2.gz UGYUIMAKAAJGSS-JJXSEGSLSA-N 1 3 301.475 0.776 20 0 DCADHO COCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001568143499 1160584296 /nfs/dbraw/zinc/58/42/96/1160584296.db2.gz NKSVSUNDNWKKBD-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO CCN1CCN(Cc2ccc(CNC(=O)C[NH2+]C)cc2)CC1 ZINC000236885713 521687654 /nfs/dbraw/zinc/68/76/54/521687654.db2.gz RLXWLAZZRQDMCK-UHFFFAOYSA-N 1 3 304.438 0.660 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N@H+](C)C1CC1 ZINC000364175708 524418965 /nfs/dbraw/zinc/41/89/65/524418965.db2.gz VXYMUTSWIDQVFV-SNPRPXQTSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N@@H+](C)C1CC1 ZINC000364175708 524418968 /nfs/dbraw/zinc/41/89/68/524418968.db2.gz VXYMUTSWIDQVFV-SNPRPXQTSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365988273 524918843 /nfs/dbraw/zinc/91/88/43/524918843.db2.gz SRQZLUKGEVDTQI-OEAJRASXSA-N 1 3 322.453 0.632 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365988273 524918858 /nfs/dbraw/zinc/91/88/58/524918858.db2.gz SRQZLUKGEVDTQI-OEAJRASXSA-N 1 3 322.453 0.632 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332595563 527731013 /nfs/dbraw/zinc/73/10/13/527731013.db2.gz HNMBZIGGGDDJLT-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000411021827 529060602 /nfs/dbraw/zinc/06/06/02/529060602.db2.gz IKGQLUVCLDVNFE-RRFJBIMHSA-N 1 3 322.453 0.090 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000411021827 529060607 /nfs/dbraw/zinc/06/06/07/529060607.db2.gz IKGQLUVCLDVNFE-RRFJBIMHSA-N 1 3 322.453 0.090 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420325042 535635619 /nfs/dbraw/zinc/63/56/19/535635619.db2.gz HXHHGLXTKUJQJC-YESZJQIVSA-N 1 3 322.497 0.861 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000416970040 546244121 /nfs/dbraw/zinc/24/41/21/546244121.db2.gz DAWUYBQJPUEZLF-ZFWWWQNUSA-N 1 3 311.474 0.582 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000458026723 546264872 /nfs/dbraw/zinc/26/48/72/546264872.db2.gz YUILMLCJFPVJIL-HUUCEWRRSA-N 1 3 314.474 0.863 20 0 DCADHO O=C(CN1CC[NH2+]CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000638069959 546336886 /nfs/dbraw/zinc/33/68/86/546336886.db2.gz NXIVWQWVHUWPGC-QGZVFWFLSA-N 1 3 316.449 0.845 20 0 DCADHO O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662251578 546370713 /nfs/dbraw/zinc/37/07/13/546370713.db2.gz HAFCGCAZEVRKKE-LSDHHAIUSA-N 1 3 307.438 0.746 20 0 DCADHO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662251578 546370716 /nfs/dbraw/zinc/37/07/16/546370716.db2.gz HAFCGCAZEVRKKE-LSDHHAIUSA-N 1 3 307.438 0.746 20 0 DCADHO CCOC1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763499 546397424 /nfs/dbraw/zinc/39/74/24/546397424.db2.gz CKIUJXUNXPOWIB-ZDUSSCGKSA-N 1 3 300.447 0.689 20 0 DCADHO CCOC1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763499 546397428 /nfs/dbraw/zinc/39/74/28/546397428.db2.gz CKIUJXUNXPOWIB-ZDUSSCGKSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nccn(C)c1=O ZINC000666560664 546483782 /nfs/dbraw/zinc/48/37/82/546483782.db2.gz NVDHJBVCEGZDKB-LBPRGKRZSA-N 1 3 324.429 0.174 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nccn(C)c1=O ZINC000666560664 546483785 /nfs/dbraw/zinc/48/37/85/546483785.db2.gz NVDHJBVCEGZDKB-LBPRGKRZSA-N 1 3 324.429 0.174 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000666755747 546504434 /nfs/dbraw/zinc/50/44/34/546504434.db2.gz CLDRMYCPTHBHSW-HNNXBMFYSA-N 1 3 314.474 0.720 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000666757647 546504483 /nfs/dbraw/zinc/50/44/83/546504483.db2.gz XKMBRFYOTXQLCI-HOCLYGCPSA-N 1 3 312.458 0.473 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666975062 546537366 /nfs/dbraw/zinc/53/73/66/546537366.db2.gz GWLBMTLOZJIYEV-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cn[nH]c(=O)c1 ZINC000667812784 546656733 /nfs/dbraw/zinc/65/67/33/546656733.db2.gz WXZLEUZWZMESRF-AWEZNQCLSA-N 1 3 321.425 0.670 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cn[nH]c(=O)c1 ZINC000667812784 546656738 /nfs/dbraw/zinc/65/67/38/546656738.db2.gz WXZLEUZWZMESRF-AWEZNQCLSA-N 1 3 321.425 0.670 20 0 DCADHO CN1CCC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)(N2CCOCC2)CC1 ZINC000668237892 546713992 /nfs/dbraw/zinc/71/39/92/546713992.db2.gz BBWKMBZEJLRVAE-IAGOWNOFSA-N 1 3 323.481 0.940 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[NH+](CC)CC ZINC000670471384 547100756 /nfs/dbraw/zinc/10/07/56/547100756.db2.gz XQUUJWGNGLVORP-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000672594070 547383785 /nfs/dbraw/zinc/38/37/85/547383785.db2.gz LICNJTUTTDQIPT-SOUVJXGZSA-N 1 3 324.469 0.574 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000673336876 547471093 /nfs/dbraw/zinc/47/10/93/547471093.db2.gz CDDRZKIYAPTSBQ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000673336876 547471097 /nfs/dbraw/zinc/47/10/97/547471097.db2.gz CDDRZKIYAPTSBQ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000673672358 547513600 /nfs/dbraw/zinc/51/36/00/547513600.db2.gz FUYJYGFSEHKZOL-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[N@H+](CCn2ccccc2=O)CC[C@H]1N1CCN(C)CC1 ZINC000677904943 547919034 /nfs/dbraw/zinc/91/90/34/547919034.db2.gz AYNZPOWCOMCLKN-IAGOWNOFSA-N 1 3 318.465 0.806 20 0 DCADHO C[C@@H]1C[N@@H+](CCn2ccccc2=O)CC[C@H]1N1CCN(C)CC1 ZINC000677904943 547919037 /nfs/dbraw/zinc/91/90/37/547919037.db2.gz AYNZPOWCOMCLKN-IAGOWNOFSA-N 1 3 318.465 0.806 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCn2cccn2)C1 ZINC001674612039 1175286394 /nfs/dbraw/zinc/28/63/94/1175286394.db2.gz MXRBMZSHSDRCKY-UHFFFAOYSA-N 1 3 307.442 0.708 20 0 DCADHO C[N@H+](C[C@@H]1CCOC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594672 660497518 /nfs/dbraw/zinc/49/75/18/660497518.db2.gz LLZFPATYCAPCDB-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594672 660497520 /nfs/dbraw/zinc/49/75/20/660497520.db2.gz LLZFPATYCAPCDB-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([N@H+](C)CCF)C1 ZINC001027686065 660619822 /nfs/dbraw/zinc/61/98/22/660619822.db2.gz SCCYUXHXIBNACZ-HUUCEWRRSA-N 1 3 315.433 0.847 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([N@@H+](C)CCF)C1 ZINC001027686065 660619824 /nfs/dbraw/zinc/61/98/24/660619824.db2.gz SCCYUXHXIBNACZ-HUUCEWRRSA-N 1 3 315.433 0.847 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)c1 ZINC000979086112 660659208 /nfs/dbraw/zinc/65/92/08/660659208.db2.gz HLQAOGNJCIEZPT-OSYLJGHBSA-N 1 3 317.433 0.648 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c1 ZINC000979086112 660659209 /nfs/dbraw/zinc/65/92/09/660659209.db2.gz HLQAOGNJCIEZPT-OSYLJGHBSA-N 1 3 317.433 0.648 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccnn2C)CN1C(=O)CN1CCCC1 ZINC000980799268 661013124 /nfs/dbraw/zinc/01/31/24/661013124.db2.gz GDXJAUNCQJQSFH-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCN(CCCF)CC1 ZINC000981211032 661104145 /nfs/dbraw/zinc/10/41/45/661104145.db2.gz ZFZUODCAPPMCRY-LSDHHAIUSA-N 1 3 313.417 0.744 20 0 DCADHO O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCN(CCCF)CC1 ZINC000981211032 661104146 /nfs/dbraw/zinc/10/41/46/661104146.db2.gz ZFZUODCAPPMCRY-LSDHHAIUSA-N 1 3 313.417 0.744 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)O)C2)N(C)C ZINC000981827940 661225816 /nfs/dbraw/zinc/22/58/16/661225816.db2.gz SJGPEXPXQCKUGB-GJZGRUSLSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)O)C2)N(C)C ZINC000981827940 661225817 /nfs/dbraw/zinc/22/58/17/661225817.db2.gz SJGPEXPXQCKUGB-GJZGRUSLSA-N 1 3 311.470 0.878 20 0 DCADHO C[C@@H](O)CN1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028194960 661270280 /nfs/dbraw/zinc/27/02/80/661270280.db2.gz HJXNZJLKZIAXAO-HIFRSBDPSA-N 1 3 323.441 0.020 20 0 DCADHO C[C@H](O)CN1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028194962 661270373 /nfs/dbraw/zinc/27/03/73/661270373.db2.gz HJXNZJLKZIAXAO-ZFWWWQNUSA-N 1 3 323.441 0.020 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCN2CCO)cc1 ZINC001028203031 661275322 /nfs/dbraw/zinc/27/53/22/661275322.db2.gz NFQOZBXXQZEKHP-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@H+](CCO)C[C@]3(C)C2)CCC1 ZINC000982295726 661343637 /nfs/dbraw/zinc/34/36/37/661343637.db2.gz BUFUNICYHAEVAL-IYBDPMFKSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@@H+](CCO)C[C@]3(C)C2)CCC1 ZINC000982295726 661343638 /nfs/dbraw/zinc/34/36/38/661343638.db2.gz BUFUNICYHAEVAL-IYBDPMFKSA-N 1 3 309.454 0.633 20 0 DCADHO Cn1ccnc1CNCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998270853 665427577 /nfs/dbraw/zinc/42/75/77/665427577.db2.gz DWHMWQMHAKOHIF-HNNXBMFYSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998270853 665427580 /nfs/dbraw/zinc/42/75/80/665427580.db2.gz DWHMWQMHAKOHIF-HNNXBMFYSA-N 1 3 319.453 0.700 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCN(C2CC2)C1 ZINC000891560474 657485591 /nfs/dbraw/zinc/48/55/91/657485591.db2.gz OQEMBGZNWCWIKL-QWRGUYRKSA-N 1 3 302.369 0.767 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000891575934 657492422 /nfs/dbraw/zinc/49/24/22/657492422.db2.gz JGPJGQUMKWSOOQ-VXGBXAGGSA-N 1 3 320.384 0.251 20 0 DCADHO C[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)CN1CCN(C)CC1 ZINC000891604479 657515937 /nfs/dbraw/zinc/51/59/37/657515937.db2.gz YVFNHKTWLODJET-PMPSAXMXSA-N 1 3 323.485 0.406 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000969197489 657555898 /nfs/dbraw/zinc/55/58/98/657555898.db2.gz KHCIABQIMVIHSQ-CQSZACIVSA-N 1 3 317.437 0.739 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1)C1CCC1 ZINC000971686655 657562778 /nfs/dbraw/zinc/56/27/78/657562778.db2.gz DDTBOIQOHKTLSH-OAHLLOKOSA-N 1 3 320.441 0.295 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1)C1CCC1 ZINC000971686655 657562783 /nfs/dbraw/zinc/56/27/83/657562783.db2.gz DDTBOIQOHKTLSH-OAHLLOKOSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000998726059 665513303 /nfs/dbraw/zinc/51/33/03/665513303.db2.gz YQUHBDAIILTDLS-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN1C[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C[C@]2(C)C1 ZINC000933740709 657781363 /nfs/dbraw/zinc/78/13/63/657781363.db2.gz WQRRTQDKRJDZAL-CPUCHLNUSA-N 1 3 317.437 0.799 20 0 DCADHO CN1C[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C[C@]2(C)C1 ZINC000933740709 657781370 /nfs/dbraw/zinc/78/13/70/657781370.db2.gz WQRRTQDKRJDZAL-CPUCHLNUSA-N 1 3 317.437 0.799 20 0 DCADHO C[C@@H](O)CN1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970714543 657819461 /nfs/dbraw/zinc/81/94/61/657819461.db2.gz RCQZNGUIVZHZJN-ZIAGYGMSSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC000970717181 657824823 /nfs/dbraw/zinc/82/48/23/657824823.db2.gz KIJCMIJTQYCBHV-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000970718467 657827390 /nfs/dbraw/zinc/82/73/90/657827390.db2.gz VPVFSTGIKGENEF-OAHLLOKOSA-N 1 3 320.441 0.181 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541742 657892160 /nfs/dbraw/zinc/89/21/60/657892160.db2.gz MXNBYEZYUTUYGA-JOCQHMNTSA-N 1 3 323.466 0.925 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)c1 ZINC000970785602 657906393 /nfs/dbraw/zinc/90/63/93/657906393.db2.gz DUDVQHMNHAXUIU-CQSZACIVSA-N 1 3 304.394 0.038 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CCc2ccnn2C)C1 ZINC000970875891 658006605 /nfs/dbraw/zinc/00/66/05/658006605.db2.gz SBKHMOXJMGCCHM-UONOGXRCSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCc2ccnn2C)C1 ZINC000970875891 658006614 /nfs/dbraw/zinc/00/66/14/658006614.db2.gz SBKHMOXJMGCCHM-UONOGXRCSA-N 1 3 319.453 0.351 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001020586395 658162137 /nfs/dbraw/zinc/16/21/37/658162137.db2.gz NKNMQSPYHMKUJS-AJNGGQMLSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001020586740 658163792 /nfs/dbraw/zinc/16/37/92/658163792.db2.gz XPHSOWFKPUVMSP-ZQDZILKHSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC001020592269 658170453 /nfs/dbraw/zinc/17/04/53/658170453.db2.gz AIXXZYZNSHQHCL-DDWPSWQVSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001020592269 658170457 /nfs/dbraw/zinc/17/04/57/658170457.db2.gz AIXXZYZNSHQHCL-DDWPSWQVSA-N 1 3 317.437 0.720 20 0 DCADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000892180380 658271974 /nfs/dbraw/zinc/27/19/74/658271974.db2.gz NBBMFAKIWOQFST-CQSZACIVSA-N 1 3 310.442 0.635 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001023888671 658297311 /nfs/dbraw/zinc/29/73/11/658297311.db2.gz ALCSDFAHQSBEGA-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022711860 658354460 /nfs/dbraw/zinc/35/44/60/658354460.db2.gz FFYGGSIPZIZAQC-VBNZEHGJSA-N 1 3 319.453 0.950 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001022716783 658373627 /nfs/dbraw/zinc/37/36/27/658373627.db2.gz IGJMXCUFRQNQLA-KFWWJZLASA-N 1 3 309.454 0.992 20 0 DCADHO CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001022716761 658374201 /nfs/dbraw/zinc/37/42/01/658374201.db2.gz HQYFMJVOPSUNIU-MJBXVCDLSA-N 1 3 322.453 0.186 20 0 DCADHO Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022717499 658377207 /nfs/dbraw/zinc/37/72/07/658377207.db2.gz ZEJTZMZKZICZJK-OKILXGFUSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)ncn1 ZINC001022719919 658383496 /nfs/dbraw/zinc/38/34/96/658383496.db2.gz OGUXLBFOGFTCAW-ZIEJDFEHSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)ncn1 ZINC001022719919 658383505 /nfs/dbraw/zinc/38/35/05/658383505.db2.gz OGUXLBFOGFTCAW-ZIEJDFEHSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022721432 658391526 /nfs/dbraw/zinc/39/15/26/658391526.db2.gz XCEVYCCQWJTJJO-QPKOPYBWSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022721432 658391537 /nfs/dbraw/zinc/39/15/37/658391537.db2.gz XCEVYCCQWJTJJO-QPKOPYBWSA-N 1 3 306.410 0.918 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@@H]1C[NH3+] ZINC000926390289 658397416 /nfs/dbraw/zinc/39/74/16/658397416.db2.gz YKBOBVFOXOPGAI-LSDHHAIUSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892431869 658468172 /nfs/dbraw/zinc/46/81/72/658468172.db2.gz YNTNMTTUSMGECP-ILXRZTDVSA-N 1 3 312.458 0.567 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CC1 ZINC000939453191 665584372 /nfs/dbraw/zinc/58/43/72/665584372.db2.gz GCGVOCZKUJTWMK-TZMCWYRMSA-N 1 3 310.442 0.029 20 0 DCADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001024264810 658548848 /nfs/dbraw/zinc/54/88/48/658548848.db2.gz WNYSTDRGBJXLEW-KGLIPLIRSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001024264810 658548854 /nfs/dbraw/zinc/54/88/54/658548854.db2.gz WNYSTDRGBJXLEW-KGLIPLIRSA-N 1 3 320.441 0.393 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518431 665591228 /nfs/dbraw/zinc/59/12/28/665591228.db2.gz UISUMBCYNGWBAQ-KBXIAJHMSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518431 665591229 /nfs/dbraw/zinc/59/12/29/665591229.db2.gz UISUMBCYNGWBAQ-KBXIAJHMSA-N 1 3 322.453 0.125 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020934661 658597954 /nfs/dbraw/zinc/59/79/54/658597954.db2.gz XEHWIHCRHYAICD-HDJSIYSDSA-N 1 3 315.421 0.618 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1)N(C)C ZINC000972355229 658609140 /nfs/dbraw/zinc/60/91/40/658609140.db2.gz SZWQRDSZDVPOQU-KGLIPLIRSA-N 1 3 308.430 0.151 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1)N(C)C ZINC000972355229 658609144 /nfs/dbraw/zinc/60/91/44/658609144.db2.gz SZWQRDSZDVPOQU-KGLIPLIRSA-N 1 3 308.430 0.151 20 0 DCADHO [NH3+]CCCOCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892290878 658636580 /nfs/dbraw/zinc/63/65/80/658636580.db2.gz JTNCZSDTHNAECZ-HNNXBMFYSA-N 1 3 306.410 0.366 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n[nH]1 ZINC000999191345 665596528 /nfs/dbraw/zinc/59/65/28/665596528.db2.gz XOYDTKAQGBPIMU-KWCYVHTRSA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n[nH]1 ZINC000999191345 665596530 /nfs/dbraw/zinc/59/65/30/665596530.db2.gz XOYDTKAQGBPIMU-KWCYVHTRSA-N 1 3 320.441 0.534 20 0 DCADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001024985404 658846540 /nfs/dbraw/zinc/84/65/40/658846540.db2.gz PZUGBODFFULDOD-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001025024212 658856904 /nfs/dbraw/zinc/85/69/04/658856904.db2.gz HQUJZCJMUVCWME-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CC1(C)CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[NH2+]C1 ZINC000891514198 658898243 /nfs/dbraw/zinc/89/82/43/658898243.db2.gz NXAHRPWRYAPFIO-QLFBSQMISA-N 1 3 324.469 0.927 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000891513867 658898866 /nfs/dbraw/zinc/89/88/66/658898866.db2.gz IHDPGJNTEWLDPV-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2)CCC1 ZINC000999345977 665633207 /nfs/dbraw/zinc/63/32/07/665633207.db2.gz CHVUNFOBYJRUAT-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001027171309 659059197 /nfs/dbraw/zinc/05/91/97/659059197.db2.gz XMTCTZHCXVZTGT-UONOGXRCSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001027171309 659059201 /nfs/dbraw/zinc/05/92/01/659059201.db2.gz XMTCTZHCXVZTGT-UONOGXRCSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001027217559 659090163 /nfs/dbraw/zinc/09/01/63/659090163.db2.gz LUYKQXMUTUSHOH-HNNXBMFYSA-N 1 3 317.437 0.819 20 0 DCADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001025158731 659092955 /nfs/dbraw/zinc/09/29/55/659092955.db2.gz SYIDCHWZGMPSIH-UONOGXRCSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001025158731 659092957 /nfs/dbraw/zinc/09/29/57/659092957.db2.gz SYIDCHWZGMPSIH-UONOGXRCSA-N 1 3 320.441 0.536 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000973104531 659103784 /nfs/dbraw/zinc/10/37/84/659103784.db2.gz KCIRNDXEUXJUOM-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000973104531 659103786 /nfs/dbraw/zinc/10/37/86/659103786.db2.gz KCIRNDXEUXJUOM-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925536828 659104765 /nfs/dbraw/zinc/10/47/65/659104765.db2.gz HGYRQZBCEMBIME-KBMXLJTQSA-N 1 3 308.470 0.563 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC000999499073 665650226 /nfs/dbraw/zinc/65/02/26/665650226.db2.gz ZGBCIRHKAOWAFY-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892798344 659459249 /nfs/dbraw/zinc/45/92/49/659459249.db2.gz BVOUXBAXFSJDJP-NVXWUHKLSA-N 1 3 318.421 0.067 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892798344 659459253 /nfs/dbraw/zinc/45/92/53/659459253.db2.gz BVOUXBAXFSJDJP-NVXWUHKLSA-N 1 3 318.421 0.067 20 0 DCADHO CN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[N@H+](C)C1 ZINC000892819961 659468918 /nfs/dbraw/zinc/46/89/18/659468918.db2.gz UGWJBSGPSCBOSH-KKUMJFAQSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[N@@H+](C)C1 ZINC000892819961 659468919 /nfs/dbraw/zinc/46/89/19/659468919.db2.gz UGWJBSGPSCBOSH-KKUMJFAQSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCCN(C)C1 ZINC000892819961 659468924 /nfs/dbraw/zinc/46/89/24/659468924.db2.gz UGWJBSGPSCBOSH-KKUMJFAQSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCCN(C)C1 ZINC000892819961 659468925 /nfs/dbraw/zinc/46/89/25/659468925.db2.gz UGWJBSGPSCBOSH-KKUMJFAQSA-N 1 3 310.442 0.585 20 0 DCADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000892819233 659471209 /nfs/dbraw/zinc/47/12/09/659471209.db2.gz PHLFJNKRGZJPHQ-GJZGRUSLSA-N 1 3 324.469 0.881 20 0 DCADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000892819233 659471211 /nfs/dbraw/zinc/47/12/11/659471211.db2.gz PHLFJNKRGZJPHQ-GJZGRUSLSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892818360 659471476 /nfs/dbraw/zinc/47/14/76/659471476.db2.gz KKUCTFUDSSQWOE-RBSFLKMASA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892818360 659471478 /nfs/dbraw/zinc/47/14/78/659471478.db2.gz KKUCTFUDSSQWOE-RBSFLKMASA-N 1 3 310.442 0.491 20 0 DCADHO Cc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001026733954 659490996 /nfs/dbraw/zinc/49/09/96/659490996.db2.gz KJIGHDPNCKBUPQ-GOEBONIOSA-N 1 3 317.437 0.817 20 0 DCADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025798703 659565825 /nfs/dbraw/zinc/56/58/25/659565825.db2.gz JATRJVPTFQWZAY-FIDHJVLJSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025798703 659565829 /nfs/dbraw/zinc/56/58/29/659565829.db2.gz JATRJVPTFQWZAY-FIDHJVLJSA-N 1 3 321.465 0.942 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019772839 659611306 /nfs/dbraw/zinc/61/13/06/659611306.db2.gz TZNJTWIDHCDEOX-ZFWWWQNUSA-N 1 3 305.426 0.371 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019772839 659611308 /nfs/dbraw/zinc/61/13/08/659611308.db2.gz TZNJTWIDHCDEOX-ZFWWWQNUSA-N 1 3 305.426 0.371 20 0 DCADHO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019775082 659613154 /nfs/dbraw/zinc/61/31/54/659613154.db2.gz VYTGLTLVILEIFI-AWEZNQCLSA-N 1 3 305.426 0.249 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001019774837 659613404 /nfs/dbraw/zinc/61/34/04/659613404.db2.gz KIJCMIJTQYCBHV-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001026891572 659626362 /nfs/dbraw/zinc/62/63/62/659626362.db2.gz YWQSABVFBZXDHO-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001027064669 659762159 /nfs/dbraw/zinc/76/21/59/659762159.db2.gz IVKRPLNNKHZXIY-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001027090984 659797321 /nfs/dbraw/zinc/79/73/21/659797321.db2.gz BGFMXCJYLOWUMQ-CYBMUJFWSA-N 1 3 314.393 0.689 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001027091433 659798066 /nfs/dbraw/zinc/79/80/66/659798066.db2.gz MMAIZRJNWDQJBB-ZIAGYGMSSA-N 1 3 306.410 0.817 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027092048 659799476 /nfs/dbraw/zinc/79/94/76/659799476.db2.gz ZPWOMMJVSUNTIJ-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC000999875555 665705880 /nfs/dbraw/zinc/70/58/80/665705880.db2.gz GJDXKPSURCHMDE-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC000999875980 665706050 /nfs/dbraw/zinc/70/60/50/665706050.db2.gz JWGVTWNNEKZKDU-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031875196 665720384 /nfs/dbraw/zinc/72/03/84/665720384.db2.gz JUUVHDDGVNGAMC-AWEZNQCLSA-N 1 3 319.449 0.833 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2CCn2cccn2)C1 ZINC001028316424 661456416 /nfs/dbraw/zinc/45/64/16/661456416.db2.gz PMKRPEIQJBXKHD-HUUCEWRRSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2CCn2cccn2)C1 ZINC001028316424 661456417 /nfs/dbraw/zinc/45/64/17/661456417.db2.gz PMKRPEIQJBXKHD-HUUCEWRRSA-N 1 3 305.426 0.415 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCN1CCO ZINC001028333628 661463859 /nfs/dbraw/zinc/46/38/59/661463859.db2.gz PMSPNOGWRGKLFV-HNNXBMFYSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@@H](NC(=O)N1CCN(C)CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000894104478 661472028 /nfs/dbraw/zinc/47/20/28/661472028.db2.gz CMGODIQDFWRRGJ-OAHLLOKOSA-N 1 3 323.485 0.526 20 0 DCADHO C[C@@H](NC(=O)N1CCN(C)CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000894104478 661472030 /nfs/dbraw/zinc/47/20/30/661472030.db2.gz CMGODIQDFWRRGJ-OAHLLOKOSA-N 1 3 323.485 0.526 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001000186644 665767532 /nfs/dbraw/zinc/76/75/32/665767532.db2.gz VMGRLJDILUHYRK-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CN(CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000940529273 665786326 /nfs/dbraw/zinc/78/63/26/665786326.db2.gz YWBGZOQBTCXQGT-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000940529273 665786329 /nfs/dbraw/zinc/78/63/29/665786329.db2.gz YWBGZOQBTCXQGT-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)Cc1ccc(CNC(CO)CO)c2c1OC(F)(F)O2 ZINC000894306807 661845054 /nfs/dbraw/zinc/84/50/54/661845054.db2.gz BMAFEQKQMIWGST-UHFFFAOYSA-N 1 3 318.320 0.513 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(Cc3ccccn3)C2)C1 ZINC001028986310 661920134 /nfs/dbraw/zinc/92/01/34/661920134.db2.gz QDAKLZNKKSJVAJ-HUUCEWRRSA-N 1 3 302.422 0.971 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(Cc3ccccn3)C2)C1 ZINC001028986310 661920135 /nfs/dbraw/zinc/92/01/35/661920135.db2.gz QDAKLZNKKSJVAJ-HUUCEWRRSA-N 1 3 302.422 0.971 20 0 DCADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000261971403 661937646 /nfs/dbraw/zinc/93/76/46/661937646.db2.gz DHPSGCKHSYAHRO-ZDUSSCGKSA-N 1 3 324.469 0.420 20 0 DCADHO CN(CCCN(C)Cc1c2c(nn1C)CCOC2)CC[NH+](C)C ZINC000894523880 661978258 /nfs/dbraw/zinc/97/82/58/661978258.db2.gz QCMNEDGSYMQBCU-UHFFFAOYSA-N 1 3 323.485 0.808 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001000312650 665820958 /nfs/dbraw/zinc/82/09/58/665820958.db2.gz OOJQKOASTQQVSE-KBPBESRZSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000940761479 665843749 /nfs/dbraw/zinc/84/37/49/665843749.db2.gz KQUYEMLTWYGZBZ-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000940761479 665843751 /nfs/dbraw/zinc/84/37/51/665843751.db2.gz KQUYEMLTWYGZBZ-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CCCN(C)C1 ZINC000896748239 662309911 /nfs/dbraw/zinc/30/99/11/662309911.db2.gz JJJVOVCDGDNYOJ-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CCCN(C)C1 ZINC000896748239 662309913 /nfs/dbraw/zinc/30/99/13/662309913.db2.gz JJJVOVCDGDNYOJ-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000896748239 662309915 /nfs/dbraw/zinc/30/99/15/662309915.db2.gz JJJVOVCDGDNYOJ-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000896748239 662309918 /nfs/dbraw/zinc/30/99/18/662309918.db2.gz JJJVOVCDGDNYOJ-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000984799800 662315852 /nfs/dbraw/zinc/31/58/52/662315852.db2.gz KEHGZVHKHUHMEB-MGPQQGTHSA-N 1 3 320.441 0.284 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000985025961 662356849 /nfs/dbraw/zinc/35/68/49/662356849.db2.gz DKBOBYCRVIBGDL-KKUMJFAQSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000985025961 662356852 /nfs/dbraw/zinc/35/68/52/662356852.db2.gz DKBOBYCRVIBGDL-KKUMJFAQSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000985482204 662465636 /nfs/dbraw/zinc/46/56/36/662465636.db2.gz UZCNPYUXZHREHO-ZIAGYGMSSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000985482204 662465638 /nfs/dbraw/zinc/46/56/38/662465638.db2.gz UZCNPYUXZHREHO-ZIAGYGMSSA-N 1 3 324.469 0.657 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000985482380 662465653 /nfs/dbraw/zinc/46/56/53/662465653.db2.gz REPYBMUQBVOTTB-OCCSQVGLSA-N 1 3 312.458 0.369 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001029788582 662473730 /nfs/dbraw/zinc/47/37/30/662473730.db2.gz YEHRZGDPRBIJKF-BOLLXYOYSA-N 1 3 307.438 0.650 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001029788582 662473731 /nfs/dbraw/zinc/47/37/31/662473731.db2.gz YEHRZGDPRBIJKF-BOLLXYOYSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+](C[C@@H]1CCOC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674747 662499303 /nfs/dbraw/zinc/49/93/03/662499303.db2.gz GXCSKZSBTRWCPW-ZDUSSCGKSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@@H]1CCOC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674747 662499304 /nfs/dbraw/zinc/49/93/04/662499304.db2.gz GXCSKZSBTRWCPW-ZDUSSCGKSA-N 1 3 306.410 0.912 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985686654 662500456 /nfs/dbraw/zinc/50/04/56/662500456.db2.gz QFWDZINLFGEZIZ-HNNXBMFYSA-N 1 3 324.469 0.657 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985686654 662500458 /nfs/dbraw/zinc/50/04/58/662500458.db2.gz QFWDZINLFGEZIZ-HNNXBMFYSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987057558 662639381 /nfs/dbraw/zinc/63/93/81/662639381.db2.gz JDXXSTXQDMJZOC-WFASDCNBSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064972 662640553 /nfs/dbraw/zinc/64/05/53/662640553.db2.gz HIUCCKUMYBDGCU-WFASDCNBSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1[C@H](NCc2cncn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360455 662672161 /nfs/dbraw/zinc/67/21/61/662672161.db2.gz VCEXWAHNHWZLTL-DZGCQCFKSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000897472200 662769094 /nfs/dbraw/zinc/76/90/94/662769094.db2.gz QFTASMFSOUPICF-OWCLPIDISA-N 1 3 324.469 0.569 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000897472200 662769097 /nfs/dbraw/zinc/76/90/97/662769097.db2.gz QFTASMFSOUPICF-OWCLPIDISA-N 1 3 324.469 0.569 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000897507761 662796052 /nfs/dbraw/zinc/79/60/52/662796052.db2.gz GJGASYXBLXGQET-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000897507761 662796054 /nfs/dbraw/zinc/79/60/54/662796054.db2.gz GJGASYXBLXGQET-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000937979766 662848002 /nfs/dbraw/zinc/84/80/02/662848002.db2.gz WSOYJWJQWVAOKC-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000937979766 662848004 /nfs/dbraw/zinc/84/80/04/662848004.db2.gz WSOYJWJQWVAOKC-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO O=C([C@H]1CCCN1C1CC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113746 662939423 /nfs/dbraw/zinc/93/94/23/662939423.db2.gz LULNFXHLXNHVKE-MRXNPFEDSA-N 1 3 321.465 0.966 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000925321647 662956339 /nfs/dbraw/zinc/95/63/39/662956339.db2.gz AERHKDGRNYVKTR-HOCLYGCPSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@H+]1C ZINC000925321647 662956340 /nfs/dbraw/zinc/95/63/40/662956340.db2.gz AERHKDGRNYVKTR-HOCLYGCPSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000989664608 662969840 /nfs/dbraw/zinc/96/98/40/662969840.db2.gz KEOQLDDAJKHRKZ-DOMZBBRYSA-N 1 3 322.453 0.173 20 0 DCADHO Cc1nc(CN[C@H]2C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC000989682875 662971522 /nfs/dbraw/zinc/97/15/22/662971522.db2.gz KJPSZUGWFQMIBZ-AAEUAGOBSA-N 1 3 318.425 0.288 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001030021597 663088684 /nfs/dbraw/zinc/08/86/84/663088684.db2.gz BPGRLOAGHAGOCK-MJBXVCDLSA-N 1 3 310.442 0.138 20 0 DCADHO COc1c[nH]c(CO)c(CN2CCC(C[NH+](C)C)CC2)c1=O ZINC000902138266 663386048 /nfs/dbraw/zinc/38/60/48/663386048.db2.gz HKXWSNUDXRUOMR-UHFFFAOYSA-N 1 3 309.410 0.649 20 0 DCADHO Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001000920953 665962548 /nfs/dbraw/zinc/96/25/48/665962548.db2.gz SVMQEBHWWCEIQI-CQSZACIVSA-N 1 3 305.426 0.597 20 0 DCADHO NC(=O)c1cccnc1N1CCN(C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000903442702 663455376 /nfs/dbraw/zinc/45/53/76/663455376.db2.gz ZBLODZGYQCHFJD-QWHCGFSZSA-N 1 3 303.410 0.430 20 0 DCADHO C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445938 663455462 /nfs/dbraw/zinc/45/54/62/663455462.db2.gz OIISJAQOTWRQEV-XHSDSOJGSA-N 1 3 308.470 0.742 20 0 DCADHO C[C@@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)N1CCCCC1 ZINC000903497093 663458936 /nfs/dbraw/zinc/45/89/36/663458936.db2.gz PFLYOFKQOLUXLY-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)CCO1 ZINC000903507432 663460692 /nfs/dbraw/zinc/46/06/92/663460692.db2.gz ZMOLMGZZTOUKHM-RYQLBKOJSA-N 1 3 322.497 0.608 20 0 DCADHO C[C@H]1CN(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)CCO1 ZINC000903507432 663460693 /nfs/dbraw/zinc/46/06/93/663460693.db2.gz ZMOLMGZZTOUKHM-RYQLBKOJSA-N 1 3 322.497 0.608 20 0 DCADHO CN(C)C(=O)N(C)[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767099 663480712 /nfs/dbraw/zinc/48/07/12/663480712.db2.gz UASGAJGSMNJQBP-YCPHGPKFSA-N 1 3 310.442 0.443 20 0 DCADHO O=C1OCCCN1C1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903822926 663487513 /nfs/dbraw/zinc/48/75/13/663487513.db2.gz ACXGLGVYAMESKH-AWEZNQCLSA-N 1 3 309.410 0.672 20 0 DCADHO CC(C)CN1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903876151 663491466 /nfs/dbraw/zinc/49/14/66/663491466.db2.gz DVBYRTYJLMNZDB-HNNXBMFYSA-N 1 3 306.458 0.976 20 0 DCADHO COC(=O)[C@@H]1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)[C@H]1C ZINC000903916955 663497463 /nfs/dbraw/zinc/49/74/63/663497463.db2.gz WTTGRRVIVHWCOE-KCQAQPDRSA-N 1 3 308.426 0.729 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903982822 663499064 /nfs/dbraw/zinc/49/90/64/663499064.db2.gz WXLHWQOEEIYTFM-HBNTYKKESA-N 1 3 308.348 0.005 20 0 DCADHO Cn1ccc([C@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000903987989 663500038 /nfs/dbraw/zinc/50/00/38/663500038.db2.gz LYYATTXUSGXFFM-GJZGRUSLSA-N 1 3 319.453 0.797 20 0 DCADHO Cn1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000903987989 663500039 /nfs/dbraw/zinc/50/00/39/663500039.db2.gz LYYATTXUSGXFFM-GJZGRUSLSA-N 1 3 319.453 0.797 20 0 DCADHO CN(C)[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)c1cccs1 ZINC000905204343 663540498 /nfs/dbraw/zinc/54/04/98/663540498.db2.gz VAFRGVCCRHVIBW-AWEZNQCLSA-N 1 3 324.494 0.960 20 0 DCADHO CN(C)[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)c1cccs1 ZINC000905204343 663540499 /nfs/dbraw/zinc/54/04/99/663540499.db2.gz VAFRGVCCRHVIBW-AWEZNQCLSA-N 1 3 324.494 0.960 20 0 DCADHO CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000941345591 665978346 /nfs/dbraw/zinc/97/83/46/665978346.db2.gz YFIRLUVRGWUKAV-RDJZCZTQSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906646791 663626855 /nfs/dbraw/zinc/62/68/55/663626855.db2.gz WKCFICFRQKIHLG-ZDUSSCGKSA-N 1 3 318.421 0.932 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000906738759 663637137 /nfs/dbraw/zinc/63/71/37/663637137.db2.gz JCZNGRGSUGCQJN-HDJSIYSDSA-N 1 3 318.421 0.849 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000907455280 663698317 /nfs/dbraw/zinc/69/83/17/663698317.db2.gz HBAHAOAURLDLBE-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC000908399536 663753496 /nfs/dbraw/zinc/75/34/96/663753496.db2.gz KJZNIHRYSTYLLN-KRWDZBQOSA-N 1 3 322.497 0.814 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC000908399536 663753498 /nfs/dbraw/zinc/75/34/98/663753498.db2.gz KJZNIHRYSTYLLN-KRWDZBQOSA-N 1 3 322.497 0.814 20 0 DCADHO CN(C)CCn1nccc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908442176 663755648 /nfs/dbraw/zinc/75/56/48/663755648.db2.gz IVJSZJKHZKOPFC-OAHLLOKOSA-N 1 3 309.414 0.230 20 0 DCADHO CN(C)CCn1nccc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908442176 663755649 /nfs/dbraw/zinc/75/56/49/663755649.db2.gz IVJSZJKHZKOPFC-OAHLLOKOSA-N 1 3 309.414 0.230 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911053615 663972796 /nfs/dbraw/zinc/97/27/96/663972796.db2.gz AKOMCDMEWQEKIH-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911160511 663995216 /nfs/dbraw/zinc/99/52/16/663995216.db2.gz DLASHVWIHNQXCZ-ZIAGYGMSSA-N 1 3 310.442 0.032 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911160528 663995264 /nfs/dbraw/zinc/99/52/64/663995264.db2.gz DQTCIUDVMNUNJI-PBHICJAKSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911161273 663995393 /nfs/dbraw/zinc/99/53/93/663995393.db2.gz KOKCMUBPCQLICO-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911162953 663996122 /nfs/dbraw/zinc/99/61/22/663996122.db2.gz URNYDGRJAOWORW-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[C@@H]1C[NH3+] ZINC000911224008 664011274 /nfs/dbraw/zinc/01/12/74/664011274.db2.gz UGRYJSDREAADER-YUELXQCFSA-N 1 3 322.453 0.030 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911257096 664016918 /nfs/dbraw/zinc/01/69/18/664016918.db2.gz DGXPECGLBJXUBI-HZSPNIEDSA-N 1 3 324.469 0.467 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000911335869 664030073 /nfs/dbraw/zinc/03/00/73/664030073.db2.gz BUYOSQQEEYFLJP-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000911346054 664040246 /nfs/dbraw/zinc/04/02/46/664040246.db2.gz NEOLWNQJNIAYJY-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000911532486 664069881 /nfs/dbraw/zinc/06/98/81/664069881.db2.gz MADUJCDKBRYVSV-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCC[C@H](C)C1 ZINC000911557570 664078882 /nfs/dbraw/zinc/07/88/82/664078882.db2.gz OYFNDTGVBAHSTF-CRWXNKLISA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC[C@@H](C)C1 ZINC000911536601 664080269 /nfs/dbraw/zinc/08/02/69/664080269.db2.gz OVLXQUSIRAEFBV-GZBLMMOJSA-N 1 3 322.453 0.232 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564696 664082587 /nfs/dbraw/zinc/08/25/87/664082587.db2.gz VCYYBUJBODRFOC-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)C[C@H](C)N1 ZINC000911798645 664110671 /nfs/dbraw/zinc/11/06/71/664110671.db2.gz VTURUYCOZRDRDA-WDMOLILDSA-N 1 3 316.405 0.721 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000911873735 664118386 /nfs/dbraw/zinc/11/83/86/664118386.db2.gz SDXMIPXOGUNAIN-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000911873735 664118389 /nfs/dbraw/zinc/11/83/89/664118389.db2.gz SDXMIPXOGUNAIN-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO O=C(C1CC[NH+](C[C@@H](O)CN2CCCC2)CC1)N1CCCC1 ZINC000913390957 664308472 /nfs/dbraw/zinc/30/84/72/664308472.db2.gz SQUCGEMAEDICAN-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991724251 664532252 /nfs/dbraw/zinc/53/22/52/664532252.db2.gz UGRKTDDBIXFBFM-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991724251 664532253 /nfs/dbraw/zinc/53/22/53/664532253.db2.gz UGRKTDDBIXFBFM-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(N)=O)[C@H]2C1)C1CCC1 ZINC000992710354 664760217 /nfs/dbraw/zinc/76/02/17/664760217.db2.gz LAEMXKZSTOMCIH-QEJZJMRPSA-N 1 3 322.453 0.173 20 0 DCADHO CCN1CCN(CCCNC(=S)NCCC[NH+](C)C)CC1 ZINC000915126693 664866722 /nfs/dbraw/zinc/86/67/22/664866722.db2.gz KWTUOSWQGNHVFD-UHFFFAOYSA-N 1 3 315.531 0.430 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3COC(=O)C3)CC2)CC1 ZINC000915493497 664926082 /nfs/dbraw/zinc/92/60/82/664926082.db2.gz VQOWJPNVNPNQKQ-ZDUSSCGKSA-N 1 3 324.425 0.160 20 0 DCADHO O=C(NCC1CN(C[C@@H]2CCCCO2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675194 665283039 /nfs/dbraw/zinc/28/30/39/665283039.db2.gz YSFFIONXDXUQKH-IRXDYDNUSA-N 1 3 321.465 0.945 20 0 DCADHO CC[C@@H](CN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)OC ZINC001031675100 665283163 /nfs/dbraw/zinc/28/31/63/665283163.db2.gz VILINIAWTZWGPT-HOTGVXAUSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[N@@H+]1C ZINC000925334455 665288547 /nfs/dbraw/zinc/28/85/47/665288547.db2.gz KIHXTOLKHDQTCT-YCPHGPKFSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[N@H+]1C ZINC000925334455 665288548 /nfs/dbraw/zinc/28/85/48/665288548.db2.gz KIHXTOLKHDQTCT-YCPHGPKFSA-N 1 3 324.469 0.974 20 0 DCADHO CC[N@H+]1C[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)[C@@H](C)C1 ZINC000921406146 665300817 /nfs/dbraw/zinc/30/08/17/665300817.db2.gz CVMUGZCCIHRASF-IMJJTQAJSA-N 1 3 324.469 0.879 20 0 DCADHO CC[N@@H+]1C[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)[C@@H](C)C1 ZINC000921406146 665300819 /nfs/dbraw/zinc/30/08/19/665300819.db2.gz CVMUGZCCIHRASF-IMJJTQAJSA-N 1 3 324.469 0.879 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000938317241 665334407 /nfs/dbraw/zinc/33/44/07/665334407.db2.gz PFTCVPUQZAFSNJ-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000938317241 665334409 /nfs/dbraw/zinc/33/44/09/665334409.db2.gz PFTCVPUQZAFSNJ-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CC[NH+]1CC(N2CCN(C(=O)c3occc3CN(C)C)CC2)C1 ZINC000941536658 666017504 /nfs/dbraw/zinc/01/75/04/666017504.db2.gz AECJDWOIEWJDAV-UHFFFAOYSA-N 1 3 320.437 0.803 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(CCc2ccns2)C1 ZINC001016253167 666039863 /nfs/dbraw/zinc/03/98/63/666039863.db2.gz XTMQXFVMKDIPCR-CYBMUJFWSA-N 1 3 308.451 0.972 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCOCCO ZINC000922110110 666254199 /nfs/dbraw/zinc/25/41/99/666254199.db2.gz WUKGPHZDEPZGFM-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCOCCO ZINC000922110110 666254201 /nfs/dbraw/zinc/25/42/01/666254201.db2.gz WUKGPHZDEPZGFM-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003627106 666336700 /nfs/dbraw/zinc/33/67/00/666336700.db2.gz CHJAZRPUZFRMMF-INIZCTEOSA-N 1 3 315.433 0.772 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001003969780 666418210 /nfs/dbraw/zinc/41/82/10/666418210.db2.gz CCXKIZXIXWYAOI-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001003969780 666418211 /nfs/dbraw/zinc/41/82/11/666418211.db2.gz CCXKIZXIXWYAOI-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CN(C)Cc1ccsc1C(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001033122109 666546889 /nfs/dbraw/zinc/54/68/89/666546889.db2.gz ITKRREHLWMBRBC-ZDUSSCGKSA-N 1 3 311.451 0.948 20 0 DCADHO CN(C)Cc1ccsc1C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033122109 666546891 /nfs/dbraw/zinc/54/68/91/666546891.db2.gz ITKRREHLWMBRBC-ZDUSSCGKSA-N 1 3 311.451 0.948 20 0 DCADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000996356330 666776648 /nfs/dbraw/zinc/77/66/48/666776648.db2.gz RTROBWNFRGUASM-AWEZNQCLSA-N 1 3 316.409 0.676 20 0 DCADHO C[NH+]1CCC(CC(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000996385095 666780201 /nfs/dbraw/zinc/78/02/01/666780201.db2.gz DXHBYSVDKKCTSO-CYBMUJFWSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCOC)C1 ZINC001033831156 666840548 /nfs/dbraw/zinc/84/05/48/666840548.db2.gz UBGYJYFVNVAWAH-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC000996667167 666852189 /nfs/dbraw/zinc/85/21/89/666852189.db2.gz UJHHCBSHYIATJK-ZDUSSCGKSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996677427 666857659 /nfs/dbraw/zinc/85/76/59/666857659.db2.gz RNAGEHSEXKFLTQ-DZGCQCFKSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1)C1CC1 ZINC000996678523 666857735 /nfs/dbraw/zinc/85/77/35/666857735.db2.gz OBDYPVJQAYQPGW-GJZGRUSLSA-N 1 3 322.453 0.186 20 0 DCADHO CN1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734280522 666862156 /nfs/dbraw/zinc/86/21/56/666862156.db2.gz MBNLPDZJVKHNQL-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO COCCN1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034209427 666955748 /nfs/dbraw/zinc/95/57/48/666955748.db2.gz AYDHWZJKMDYUBQ-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](O)CN1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290053 666978594 /nfs/dbraw/zinc/97/85/94/666978594.db2.gz FIGHTRQYKRRJKW-GJZGRUSLSA-N 1 3 309.454 0.966 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCCCN(CCO)C2)cn1 ZINC001034437124 667026446 /nfs/dbraw/zinc/02/64/46/667026446.db2.gz VSZLGBJPGOCBDF-HNNXBMFYSA-N 1 3 323.441 0.021 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000997007253 667069183 /nfs/dbraw/zinc/06/91/83/667069183.db2.gz PGKLGBDILUCSEU-MRXNPFEDSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997008416 667071286 /nfs/dbraw/zinc/07/12/86/667071286.db2.gz MACPVKHJUQHNRB-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997008416 667071287 /nfs/dbraw/zinc/07/12/87/667071287.db2.gz MACPVKHJUQHNRB-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001034567089 667073786 /nfs/dbraw/zinc/07/37/86/667073786.db2.gz VZDVYEBYPPOVOU-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cnns2)CC1)N(C)C ZINC000997014629 667075805 /nfs/dbraw/zinc/07/58/05/667075805.db2.gz IRTKAJRGMQZDQT-ZDUSSCGKSA-N 1 3 311.455 0.959 20 0 DCADHO CCOC(=O)CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550152 667156521 /nfs/dbraw/zinc/15/65/21/667156521.db2.gz ZNBTUHBFKCSVAW-OLZOCXBDSA-N 1 3 311.382 0.197 20 0 DCADHO O=C(N1CCC[C@@H]1CN[C@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001034981511 667202977 /nfs/dbraw/zinc/20/29/77/667202977.db2.gz BFIYAVRUYAUACZ-KGLIPLIRSA-N 1 3 320.437 0.084 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CC2(O)CCOCC2)[C@H](C)C1 ZINC000863969435 667203850 /nfs/dbraw/zinc/20/38/50/667203850.db2.gz VFHVNSQFQHHUTI-PMPSAXMXSA-N 1 3 314.470 0.941 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CC2(O)CCOCC2)[C@H](C)C1 ZINC000863969435 667203853 /nfs/dbraw/zinc/20/38/53/667203853.db2.gz VFHVNSQFQHHUTI-PMPSAXMXSA-N 1 3 314.470 0.941 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001035063598 667226442 /nfs/dbraw/zinc/22/64/42/667226442.db2.gz ZIAORAZRBLLULG-DZGCQCFKSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCc2ccnn2C)C1 ZINC001035049428 667228583 /nfs/dbraw/zinc/22/85/83/667228583.db2.gz OLSPPRAXNQCVJR-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCc2ccnn2C)C1 ZINC001035049428 667228585 /nfs/dbraw/zinc/22/85/85/667228585.db2.gz OLSPPRAXNQCVJR-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001035051188 667229045 /nfs/dbraw/zinc/22/90/45/667229045.db2.gz LAERVJLUNCRIEN-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997299477 667240362 /nfs/dbraw/zinc/24/03/62/667240362.db2.gz NWCHLGOUGTZNTA-YPMHNXCESA-N 1 3 320.441 0.706 20 0 DCADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997299477 667240365 /nfs/dbraw/zinc/24/03/65/667240365.db2.gz NWCHLGOUGTZNTA-YPMHNXCESA-N 1 3 320.441 0.706 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997614503 667348562 /nfs/dbraw/zinc/34/85/62/667348562.db2.gz RASPDAQSJWWKLR-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO COCC[C@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000884186023 667492829 /nfs/dbraw/zinc/49/28/29/667492829.db2.gz OEXWMJPFFQJZQX-HNNXBMFYSA-N 1 3 309.410 0.607 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCC1(C)C ZINC000867742966 667494282 /nfs/dbraw/zinc/49/42/82/667494282.db2.gz CNMQFXDBKZCQHU-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](N)CCOC)C1 ZINC000884230092 667505778 /nfs/dbraw/zinc/50/57/78/667505778.db2.gz IUDZBGMPSRLYQA-ZIAGYGMSSA-N 1 3 301.431 0.310 20 0 DCADHO Cc1cccc(NC(=O)[C@H]2CCCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)n1 ZINC000923321995 667507226 /nfs/dbraw/zinc/50/72/26/667507226.db2.gz RMDJAXNQOKIBRT-AJNGGQMLSA-N 1 3 318.421 0.891 20 0 DCADHO NCC(C[NH3+])NCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000923352695 667513928 /nfs/dbraw/zinc/51/39/28/667513928.db2.gz ZUFGRBSTDCBDDG-UHFFFAOYSA-N 1 3 304.316 0.910 20 0 DCADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923384126 667521620 /nfs/dbraw/zinc/52/16/20/667521620.db2.gz APEXBWONDIYDNJ-ZWNOBZJWSA-N 1 3 321.343 0.365 20 0 DCADHO CN(CCOCC[NH3+])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000923404224 667527155 /nfs/dbraw/zinc/52/71/55/667527155.db2.gz VXYJVPXWFNNQEW-CYBMUJFWSA-N 1 3 302.802 0.987 20 0 DCADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000923416163 667527760 /nfs/dbraw/zinc/52/77/60/667527760.db2.gz TVVWQKHDBWXPOG-FPCVCCKLSA-N 1 3 317.389 0.587 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN([C@H]1CCN(C3CCC3)C1=O)CC2 ZINC000923447943 667534550 /nfs/dbraw/zinc/53/45/50/667534550.db2.gz XXZBJGMHBOWNAJ-GJZGRUSLSA-N 1 3 307.438 0.970 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN([C@H]1CCN(C3CCC3)C1=O)CC2 ZINC000923447942 667534652 /nfs/dbraw/zinc/53/46/52/667534652.db2.gz XXZBJGMHBOWNAJ-CABCVRRESA-N 1 3 307.438 0.970 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCCOc2cccc(F)c2)C1 ZINC000923487309 667543150 /nfs/dbraw/zinc/54/31/50/667543150.db2.gz YYHZVRMQQIVKCC-CYBMUJFWSA-N 1 3 309.385 0.991 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923484842 667544925 /nfs/dbraw/zinc/54/49/25/667544925.db2.gz OKYQIOSCBXJUAJ-UONOGXRCSA-N 1 3 311.426 0.601 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923484841 667544985 /nfs/dbraw/zinc/54/49/85/667544985.db2.gz OKYQIOSCBXJUAJ-KGLIPLIRSA-N 1 3 311.426 0.601 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N1CCC(C)CC1 ZINC000884502698 667557683 /nfs/dbraw/zinc/55/76/83/667557683.db2.gz QJOYSUGJQHGYCS-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO COc1ccccc1[C@H](N)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923561944 667564348 /nfs/dbraw/zinc/56/43/48/667564348.db2.gz AZNWDKSJSUETPY-DGCLKSJQSA-N 1 3 313.423 0.366 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CCC1(C)C ZINC000868405190 667567302 /nfs/dbraw/zinc/56/73/02/667567302.db2.gz ILQWJLCREPUFGC-MRXNPFEDSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@@H]1[NH3+] ZINC000868406497 667567320 /nfs/dbraw/zinc/56/73/20/667567320.db2.gz NMVYNKDUBGJPCE-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH3+])(CC)CC1 ZINC000884617712 667576542 /nfs/dbraw/zinc/57/65/42/667576542.db2.gz RHIDXGQFEXVYPT-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CN1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923610790 667656720 /nfs/dbraw/zinc/65/67/20/667656720.db2.gz YAQLXYYAXNUANO-MCIONIFRSA-N 1 3 301.456 0.627 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000870982033 667780171 /nfs/dbraw/zinc/78/01/71/667780171.db2.gz VXZOBXRYNLJZQQ-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000743860366 667817743 /nfs/dbraw/zinc/81/77/43/667817743.db2.gz BVMLHODXTVHKMS-IRXDYDNUSA-N 1 3 311.470 0.630 20 0 DCADHO O[C@@H](CN1CCCC1)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000743860366 667817747 /nfs/dbraw/zinc/81/77/47/667817747.db2.gz BVMLHODXTVHKMS-IRXDYDNUSA-N 1 3 311.470 0.630 20 0 DCADHO CC1(C)CO[C@H](CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872146319 667868465 /nfs/dbraw/zinc/86/84/65/667868465.db2.gz LDWTZSHEOKFDSO-RQJABVFESA-N 1 3 309.410 0.668 20 0 DCADHO C[NH+](C)CCOc1cc(CNC[C@H](O)CC(C)(C)O)ccn1 ZINC000872204735 667876940 /nfs/dbraw/zinc/87/69/40/667876940.db2.gz DGDFGHJOWGELNH-CQSZACIVSA-N 1 3 311.426 0.634 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000889761139 667992598 /nfs/dbraw/zinc/99/25/98/667992598.db2.gz JWQUMYCILDDJIV-HOTGVXAUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCN1C ZINC000925327063 668296962 /nfs/dbraw/zinc/29/69/62/668296962.db2.gz FCLWPHLKIOUTLR-OAGGEKHMSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCN1C ZINC000925327063 668296964 /nfs/dbraw/zinc/29/69/64/668296964.db2.gz FCLWPHLKIOUTLR-OAGGEKHMSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(CCN3CCOCC3)C1)[NH2+]2 ZINC000925499342 668325406 /nfs/dbraw/zinc/32/54/06/668325406.db2.gz XTJOYVRLNIUHMS-ICUGJSFKSA-N 1 3 322.497 0.512 20 0 DCADHO CS(=O)(=O)NCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925521689 668326920 /nfs/dbraw/zinc/32/69/20/668326920.db2.gz ZVAPWMFAOJSVFM-KBPBESRZSA-N 1 3 303.472 0.684 20 0 DCADHO C[C@H](N[C@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000925769595 668347041 /nfs/dbraw/zinc/34/70/41/668347041.db2.gz PBFADRMMBIHQHL-BBWFWOEESA-N 1 3 310.486 0.371 20 0 DCADHO C[C@@H]1CN(C(=O)Nc2ccnn2CCN(C)C)CC[C@@H]1C[NH3+] ZINC000926129127 668375621 /nfs/dbraw/zinc/37/56/21/668375621.db2.gz BZCWSOLTNVEGIW-CHWSQXEVSA-N 1 3 308.430 0.893 20 0 DCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2 ZINC000926177580 668382770 /nfs/dbraw/zinc/38/27/70/668382770.db2.gz WWFYXAYFDSBRCB-JHNDHUHGSA-N 1 3 311.470 0.923 20 0 DCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2 ZINC000926177580 668382772 /nfs/dbraw/zinc/38/27/72/668382772.db2.gz WWFYXAYFDSBRCB-JHNDHUHGSA-N 1 3 311.470 0.923 20 0 DCADHO C[C@@H]1CN(CCCN2CCOC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764464354 668448712 /nfs/dbraw/zinc/44/87/12/668448712.db2.gz CFCYPRVVEIGXSZ-CVEARBPZSA-N 1 3 324.469 0.787 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876513590 668459274 /nfs/dbraw/zinc/45/92/74/668459274.db2.gz GDOCELXUMSADRW-HZPDHXFCSA-N 1 3 304.438 0.643 20 0 DCADHO C[C@H](CCNC(=O)NC[C@H]1CCN1C1CCOCC1)[NH+](C)C ZINC000927634796 668489040 /nfs/dbraw/zinc/48/90/40/668489040.db2.gz YMLIRRCOUGDEHM-UKRRQHHQSA-N 1 3 312.458 0.879 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876752191 668501952 /nfs/dbraw/zinc/50/19/52/668501952.db2.gz JCQODAMUPVVBMY-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO CN1CCN(CCCCNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876779956 668509529 /nfs/dbraw/zinc/50/95/29/668509529.db2.gz AANIKNNGKCLULM-MWWKQMNYSA-N 1 3 308.470 0.686 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876781117 668509615 /nfs/dbraw/zinc/50/96/15/668509615.db2.gz CUAPAORTZBRKBC-RBSFLKMASA-N 1 3 314.449 0.324 20 0 DCADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000876862322 668522526 /nfs/dbraw/zinc/52/25/26/668522526.db2.gz MUVRSHSOZSZGPS-IMJJTQAJSA-N 1 3 322.428 0.524 20 0 DCADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H]1CNCCO1 ZINC000876916986 668535622 /nfs/dbraw/zinc/53/56/22/668535622.db2.gz KYJIQYZBWGINQJ-LBPRGKRZSA-N 1 3 324.450 0.637 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1=O ZINC000877152722 668568373 /nfs/dbraw/zinc/56/83/73/668568373.db2.gz CFFTVEQEQKBMGA-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877186129 668573342 /nfs/dbraw/zinc/57/33/42/668573342.db2.gz RUTFGDLCBIOJBK-UPTPFMHGSA-N 1 3 316.449 0.928 20 0 DCADHO C[C@]1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC[NH2+]C1 ZINC000877207572 668576737 /nfs/dbraw/zinc/57/67/37/668576737.db2.gz BKXAEMBNIUJVCT-INIZCTEOSA-N 1 3 314.393 0.342 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)CCC3C[NH2+]C3)c2)nn1 ZINC000877207127 668576799 /nfs/dbraw/zinc/57/67/99/668576799.db2.gz ZPYWLMRECZAZMG-UHFFFAOYSA-N 1 3 314.393 0.342 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207368 668577168 /nfs/dbraw/zinc/57/71/68/668577168.db2.gz UKNCUDZEMQCMKV-NHYWBVRUSA-N 1 3 314.393 0.340 20 0 DCADHO CC[C@]1(C(=O)N2CCC(N3CCN(C)CC3)CC2)CCC[NH2+]1 ZINC000877252053 668584750 /nfs/dbraw/zinc/58/47/50/668584750.db2.gz YTUKWHZRITYUOO-QGZVFWFLSA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)CCCCCC[NH3+])CC1=O ZINC000877440069 668619813 /nfs/dbraw/zinc/61/98/13/668619813.db2.gz ZIHLDUBGTDWYLW-AWEZNQCLSA-N 1 3 312.458 0.374 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000929199043 668662282 /nfs/dbraw/zinc/66/22/82/668662282.db2.gz WOPSVEUYTVKIBY-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)C3CC3)CC2)CC1 ZINC000778649079 668902401 /nfs/dbraw/zinc/90/24/01/668902401.db2.gz HKJFQHORHZZDEG-INIZCTEOSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1CN(CCN2CCC([NH+]3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000879594841 669070650 /nfs/dbraw/zinc/07/06/50/669070650.db2.gz SFLPSJBCTSKRIA-CALCHBBNSA-N 1 3 324.513 0.807 20 0 DCADHO C(CN1CCOCC1)C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931287522 669174866 /nfs/dbraw/zinc/17/48/66/669174866.db2.gz ZQHYHHWAEITFCP-UHFFFAOYSA-N 1 3 311.470 0.895 20 0 DCADHO C[C@@H](N)c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000881423713 669341195 /nfs/dbraw/zinc/34/11/95/669341195.db2.gz CNIHUKNLNFMUMK-CJNGLKHVSA-N 1 3 301.394 0.935 20 0 DCADHO C[C@@H](N)c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000881423713 669341200 /nfs/dbraw/zinc/34/12/00/669341200.db2.gz CNIHUKNLNFMUMK-CJNGLKHVSA-N 1 3 301.394 0.935 20 0 DCADHO Cn1nncc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000787791072 669400979 /nfs/dbraw/zinc/40/09/79/669400979.db2.gz OXAXKHZOTVGLMI-UHFFFAOYSA-N 1 3 321.429 0.495 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000883438732 669687429 /nfs/dbraw/zinc/68/74/29/669687429.db2.gz AXTXRSLXRDKGIA-LJISPDSOSA-N 1 3 321.421 0.955 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793715300 669737303 /nfs/dbraw/zinc/73/73/03/669737303.db2.gz XTUFJMJNIMTAPE-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO COc1nn(C)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000883973160 669798657 /nfs/dbraw/zinc/79/86/57/669798657.db2.gz JHXJNNMXLOYZOY-LBPRGKRZSA-N 1 3 311.430 0.431 20 0 DCADHO COc1nn(C)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000883973160 669798659 /nfs/dbraw/zinc/79/86/59/669798659.db2.gz JHXJNNMXLOYZOY-LBPRGKRZSA-N 1 3 311.430 0.431 20 0 DCADHO CC(=O)N[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124410443 1157956036 /nfs/dbraw/zinc/95/60/36/1157956036.db2.gz QHANPAFMSOATJH-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCCCC1 ZINC000848995640 670747184 /nfs/dbraw/zinc/74/71/84/670747184.db2.gz XYGXZAOHJVHOFV-HNNXBMFYSA-N 1 3 311.474 0.697 20 0 DCADHO CCOC(=O)COCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849035208 670752260 /nfs/dbraw/zinc/75/22/60/670752260.db2.gz APNIRAKMXAKBTE-GFCCVEGCSA-N 1 3 300.403 0.164 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849497873 670810359 /nfs/dbraw/zinc/81/03/59/670810359.db2.gz PHEAUHFMVMIHRY-SNPRPXQTSA-N 1 3 307.442 0.522 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC[NH2+]C(C)(C)C)cn1 ZINC000849612362 670826842 /nfs/dbraw/zinc/82/68/42/670826842.db2.gz KKVABUSMWXEOKS-LSDHHAIUSA-N 1 3 321.469 0.960 20 0 DCADHO C[NH+]1CCC(CNCc2cnccn2)(N2CCOCC2)CC1 ZINC000856791427 670855623 /nfs/dbraw/zinc/85/56/23/670855623.db2.gz UZJDUKXHMJQLLJ-UHFFFAOYSA-N 1 3 305.426 0.363 20 0 DCADHO O=C(C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000817951362 670956291 /nfs/dbraw/zinc/95/62/91/670956291.db2.gz DRUMUTMXSPZYEV-PBHICJAKSA-N 1 3 320.437 0.038 20 0 DCADHO COCCS(=O)(=O)CCCN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818340921 671005247 /nfs/dbraw/zinc/00/52/47/671005247.db2.gz SKIFGPFDEKPXKI-AWEZNQCLSA-N 1 3 318.483 0.902 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000818638043 671039880 /nfs/dbraw/zinc/03/98/80/671039880.db2.gz OPBGODCVYRUTKU-ZDUSSCGKSA-N 1 3 318.421 0.993 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@](O)(C(N)=O)c1ccccc1)C2 ZINC000852040323 671076733 /nfs/dbraw/zinc/07/67/33/671076733.db2.gz JWPFPOLSZRQCGB-IXEWLPCDSA-N 1 3 317.433 0.917 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1)C2 ZINC000852040323 671076737 /nfs/dbraw/zinc/07/67/37/671076737.db2.gz JWPFPOLSZRQCGB-IXEWLPCDSA-N 1 3 317.433 0.917 20 0 DCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819004235 671084612 /nfs/dbraw/zinc/08/46/12/671084612.db2.gz LKVQLPOTYKFEBM-JKSUJKDBSA-N 1 3 305.422 0.897 20 0 DCADHO CCOC(=O)CC1(NC[C@@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000852728189 671153373 /nfs/dbraw/zinc/15/33/73/671153373.db2.gz YJJHMJVYLFWDMX-CQSZACIVSA-N 1 3 314.426 0.535 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCCN2Cc2ccccc2)=NO1 ZINC000852868914 671180042 /nfs/dbraw/zinc/18/00/42/671180042.db2.gz PBYPBKXYXASEEU-HUUCEWRRSA-N 1 3 316.405 0.871 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852873006 671181605 /nfs/dbraw/zinc/18/16/05/671181605.db2.gz NZOLAGHRERQYGC-HNNXBMFYSA-N 1 3 308.470 0.686 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000841791399 671956545 /nfs/dbraw/zinc/95/65/45/671956545.db2.gz WGKAFQLDHCWNED-CVEARBPZSA-N 1 3 324.469 0.881 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841830476 671958129 /nfs/dbraw/zinc/95/81/29/671958129.db2.gz IRONQZBOBFKIDG-MRXNPFEDSA-N 1 3 320.437 0.708 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)N1CCCCC1 ZINC000842015973 671974774 /nfs/dbraw/zinc/97/47/74/671974774.db2.gz PVSVMPLJMPNKOL-NFOMZHRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842097273 671982215 /nfs/dbraw/zinc/98/22/15/671982215.db2.gz ITBKNNSQULJZNE-SLTAFYQDSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842174408 671989150 /nfs/dbraw/zinc/98/91/50/671989150.db2.gz FEDHHQSLIXICDU-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000843260244 672076227 /nfs/dbraw/zinc/07/62/27/672076227.db2.gz CMJUTPVXGAPSKR-HNNXBMFYSA-N 1 3 324.469 0.709 20 0 DCADHO N[C@@H](CC(F)F)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843471292 672101055 /nfs/dbraw/zinc/10/10/55/672101055.db2.gz BTZXOUGUPRMDRU-VIFPVBQESA-N 1 3 300.309 0.296 20 0 DCADHO CN(C)CC[N@H+](C)CCCN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844329536 672174616 /nfs/dbraw/zinc/17/46/16/672174616.db2.gz HGAVDJSBMCLVLP-HNNXBMFYSA-N 1 3 312.458 0.785 20 0 DCADHO CN(C)CC[N@@H+](C)CCCN(C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844329536 672174621 /nfs/dbraw/zinc/17/46/21/672174621.db2.gz HGAVDJSBMCLVLP-HNNXBMFYSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000305147289 685214082 /nfs/dbraw/zinc/21/40/82/685214082.db2.gz SEHJPAXGOIDDCJ-JQHSSLGASA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000305147289 685214087 /nfs/dbraw/zinc/21/40/87/685214087.db2.gz SEHJPAXGOIDDCJ-JQHSSLGASA-N 1 3 321.465 0.788 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC000955338616 686371156 /nfs/dbraw/zinc/37/11/56/686371156.db2.gz IVTQYEUGXWCCGQ-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC000955338616 686371163 /nfs/dbraw/zinc/37/11/63/686371163.db2.gz IVTQYEUGXWCCGQ-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+]1CC1CCC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001038534359 694108444 /nfs/dbraw/zinc/10/84/44/694108444.db2.gz GTWRFAGGYKZAHR-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+]1CC1CCC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001038534359 694108447 /nfs/dbraw/zinc/10/84/47/694108447.db2.gz GTWRFAGGYKZAHR-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000958718454 687872999 /nfs/dbraw/zinc/87/29/99/687872999.db2.gz UWGSTUHHEJRWFL-CVEARBPZSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000958718454 687873005 /nfs/dbraw/zinc/87/30/05/687873005.db2.gz UWGSTUHHEJRWFL-CVEARBPZSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000958727025 687879797 /nfs/dbraw/zinc/87/97/97/687879797.db2.gz BZFLUNOHKZXVJO-HOCLYGCPSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000958727025 687879806 /nfs/dbraw/zinc/87/98/06/687879806.db2.gz BZFLUNOHKZXVJO-HOCLYGCPSA-N 1 3 305.422 0.791 20 0 DCADHO Cc1nnsc1CNCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000962705729 688969170 /nfs/dbraw/zinc/96/91/70/688969170.db2.gz ZGKNQTAJVCEDLU-CPCZMJQVSA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CNCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000962705729 688969172 /nfs/dbraw/zinc/96/91/72/688969172.db2.gz ZGKNQTAJVCEDLU-CPCZMJQVSA-N 1 3 323.466 0.783 20 0 DCADHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000967924581 690123492 /nfs/dbraw/zinc/12/34/92/690123492.db2.gz JTMHYDSKSPPOBR-HUUCEWRRSA-N 1 3 318.421 0.875 20 0 DCADHO CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007987600 690784090 /nfs/dbraw/zinc/78/40/90/690784090.db2.gz DLSKSCRXZXSZJX-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007987600 690784092 /nfs/dbraw/zinc/78/40/92/690784092.db2.gz DLSKSCRXZXSZJX-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)N(C)C ZINC001011263945 691497537 /nfs/dbraw/zinc/49/75/37/691497537.db2.gz SVRNMTNHYQKPRX-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)N(C)C ZINC001011322853 691509737 /nfs/dbraw/zinc/50/97/37/691509737.db2.gz XDVAKUKGPAABGZ-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)N(C)C ZINC001011322853 691509741 /nfs/dbraw/zinc/50/97/41/691509741.db2.gz XDVAKUKGPAABGZ-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011644475 691591950 /nfs/dbraw/zinc/59/19/50/691591950.db2.gz KRLWZEQCRHSPCN-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011644475 691591953 /nfs/dbraw/zinc/59/19/53/691591953.db2.gz KRLWZEQCRHSPCN-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001018627542 693167949 /nfs/dbraw/zinc/16/79/49/693167949.db2.gz HANIBSLHSRPFKF-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001018627661 693168099 /nfs/dbraw/zinc/16/80/99/693168099.db2.gz HSOGOHRDKAGXJS-GJZGRUSLSA-N 1 3 318.421 0.170 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001018966778 693299934 /nfs/dbraw/zinc/29/99/34/693299934.db2.gz RYHKCBNSFLKCGQ-ZFWWWQNUSA-N 1 3 305.426 0.451 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001018990745 693310591 /nfs/dbraw/zinc/31/05/91/693310591.db2.gz ODAXXXJRSNGDMF-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001018990745 693310593 /nfs/dbraw/zinc/31/05/93/693310593.db2.gz ODAXXXJRSNGDMF-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001019339116 693438173 /nfs/dbraw/zinc/43/81/73/693438173.db2.gz OSKCNVMGUCPNPB-LSDHHAIUSA-N 1 3 307.442 0.660 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001019386867 693458245 /nfs/dbraw/zinc/45/82/45/693458245.db2.gz WEUQWKWMVGNMHU-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001019652805 693554631 /nfs/dbraw/zinc/55/46/31/693554631.db2.gz XABWLCFCIVEJQL-HOCLYGCPSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019652805 693554634 /nfs/dbraw/zinc/55/46/34/693554634.db2.gz XABWLCFCIVEJQL-HOCLYGCPSA-N 1 3 319.453 0.761 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)CCC[NH+](C)C ZINC001072800837 694666781 /nfs/dbraw/zinc/66/67/81/694666781.db2.gz GBQZWIHFIZFOCZ-JSGCOSHPSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001074877369 694927790 /nfs/dbraw/zinc/92/77/90/694927790.db2.gz ASJVSGVODCPIJZ-YDHLFZDLSA-N 1 3 320.441 0.378 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001074877369 694927791 /nfs/dbraw/zinc/92/77/91/694927791.db2.gz ASJVSGVODCPIJZ-YDHLFZDLSA-N 1 3 320.441 0.378 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001075154714 694940146 /nfs/dbraw/zinc/94/01/46/694940146.db2.gz BEPRCIZNBWZJAI-CHWSQXEVSA-N 1 3 321.425 0.400 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001075876765 694982902 /nfs/dbraw/zinc/98/29/02/694982902.db2.gz VEHFAGJUEIBIEY-HRCADAONSA-N 1 3 309.454 0.489 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001075876765 694982903 /nfs/dbraw/zinc/98/29/03/694982903.db2.gz VEHFAGJUEIBIEY-HRCADAONSA-N 1 3 309.454 0.489 20 0 DCADHO COCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177078 695003546 /nfs/dbraw/zinc/00/35/46/695003546.db2.gz JLZDQFGZGJZEHJ-YHUYYLMFSA-N 1 3 309.454 0.896 20 0 DCADHO COCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177078 695003547 /nfs/dbraw/zinc/00/35/47/695003547.db2.gz JLZDQFGZGJZEHJ-YHUYYLMFSA-N 1 3 309.454 0.896 20 0 DCADHO CCOCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001571008277 1162667162 /nfs/dbraw/zinc/66/71/62/1162667162.db2.gz MHDTUTCRMNCVRF-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC[C@@H](C)O)C1 ZINC001571186986 1162679494 /nfs/dbraw/zinc/67/94/94/1162679494.db2.gz JEJXONXULNOCQX-MRVWCRGKSA-N 1 3 308.426 0.906 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CCc1cccs1)C(=O)Cc1c[nH]cn1 ZINC001571591673 1162835870 /nfs/dbraw/zinc/83/58/70/1162835870.db2.gz SFYZLBNAFKRQGP-ZDUSSCGKSA-N 1 3 322.434 0.665 20 0 DCADHO C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCN(C2CCOCC2)CC1 ZINC001772535006 1157524787 /nfs/dbraw/zinc/52/47/87/1157524787.db2.gz ZFHZIQOPBTVKGY-DLBZAZTESA-N 1 3 309.454 0.552 20 0 DCADHO CN(CCOCCNCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001571674447 1162888232 /nfs/dbraw/zinc/88/82/32/1162888232.db2.gz BQEWDDCZVGHGHU-UHFFFAOYSA-N 1 3 315.433 0.897 20 0 DCADHO CN1C(=O)CC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001771702353 1157871435 /nfs/dbraw/zinc/87/14/35/1157871435.db2.gz NEXNTUZBVUAVLT-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH2+][C@H]1CCCNC1=O ZINC001755526490 1158162303 /nfs/dbraw/zinc/16/23/03/1158162303.db2.gz JDQCEILCGULHKN-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC001648962386 1158189239 /nfs/dbraw/zinc/18/92/39/1158189239.db2.gz RHKZOGIXNKYWKO-SJORKVTESA-N 1 3 318.465 0.872 20 0 DCADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC001648962385 1158189290 /nfs/dbraw/zinc/18/92/90/1158189290.db2.gz RHKZOGIXNKYWKO-IRXDYDNUSA-N 1 3 318.465 0.872 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001077440291 1158431422 /nfs/dbraw/zinc/43/14/22/1158431422.db2.gz IQPXVSGAXAOWTG-BZUAXINKSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001077440291 1158431425 /nfs/dbraw/zinc/43/14/25/1158431425.db2.gz IQPXVSGAXAOWTG-BZUAXINKSA-N 1 3 309.454 0.678 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001350015941 1159175446 /nfs/dbraw/zinc/17/54/46/1159175446.db2.gz WVXQAMMISHEWPL-MELADBBJSA-N 1 3 310.442 0.315 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001446418308 1159406823 /nfs/dbraw/zinc/40/68/23/1159406823.db2.gz LZRXLTSHFHVUCX-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001446481383 1159430607 /nfs/dbraw/zinc/43/06/07/1159430607.db2.gz WFDYKIOEGLBYQQ-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001446481383 1159430611 /nfs/dbraw/zinc/43/06/11/1159430611.db2.gz WFDYKIOEGLBYQQ-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001447557635 1159658846 /nfs/dbraw/zinc/65/88/46/1159658846.db2.gz ZIHWZGBBWNIUBW-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001453218838 1159751344 /nfs/dbraw/zinc/75/13/44/1159751344.db2.gz YOUQOFWPDXBKDF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001453218838 1159751351 /nfs/dbraw/zinc/75/13/51/1159751351.db2.gz YOUQOFWPDXBKDF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCOCCO)C1 ZINC001566074223 1159960289 /nfs/dbraw/zinc/96/02/89/1159960289.db2.gz DPDLGMXTSUCVBG-CQSZACIVSA-N 1 3 324.425 0.322 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001568698835 1160741110 /nfs/dbraw/zinc/74/11/10/1160741110.db2.gz IYGRMCLDOUSMLW-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001569237800 1160989938 /nfs/dbraw/zinc/98/99/38/1160989938.db2.gz UMQDGFKPWRQUIV-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCCO ZINC001569850807 1161285037 /nfs/dbraw/zinc/28/50/37/1161285037.db2.gz KLDLIRDUACYWIM-JKSUJKDBSA-N 1 3 311.470 0.785 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001570005774 1161379582 /nfs/dbraw/zinc/37/95/82/1161379582.db2.gz NLYKBAWLEQVIBF-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H](CNCCF)C2)CC1 ZINC001570157645 1161455127 /nfs/dbraw/zinc/45/51/27/1161455127.db2.gz KWBDFMKFWWJIKB-HNNXBMFYSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2(CNCCF)CCOCC2)CC[N@@H+]1C ZINC001570304547 1161556123 /nfs/dbraw/zinc/55/61/23/1161556123.db2.gz JJXDCKYOOPQYLD-KBPBESRZSA-N 1 3 315.433 0.941 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2(CNCCF)CCOCC2)CC[N@H+]1C ZINC001570304547 1161556129 /nfs/dbraw/zinc/55/61/29/1161556129.db2.gz JJXDCKYOOPQYLD-KBPBESRZSA-N 1 3 315.433 0.941 20 0 DCADHO C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)C[C@H]1CC[NH2+]C1 ZINC001573636519 1163519829 /nfs/dbraw/zinc/51/98/29/1163519829.db2.gz QOOOEWPTRXRQIA-RDBSUJKOSA-N 1 3 301.456 0.484 20 0 DCADHO CC(C)C[C@H](CNCc1c[nH]nn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575360377 1163987531 /nfs/dbraw/zinc/98/75/31/1163987531.db2.gz HUMHECCWPLLHQC-UONOGXRCSA-N 1 3 322.457 0.767 20 0 DCADHO CC(C)C[C@H](CNCc1c[nH]nn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575360377 1163987537 /nfs/dbraw/zinc/98/75/37/1163987537.db2.gz HUMHECCWPLLHQC-UONOGXRCSA-N 1 3 322.457 0.767 20 0 DCADHO C[C@H](CNC(=O)CCc1c[nH]cn1)C[NH2+]CCc1c[nH]nn1 ZINC001575611468 1164081538 /nfs/dbraw/zinc/08/15/38/1164081538.db2.gz KATCKAZFRDOYBO-NSHDSACASA-N 1 3 305.386 0.045 20 0 DCADHO CC(C)N1CCC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001575701172 1164112411 /nfs/dbraw/zinc/11/24/11/1164112411.db2.gz XBTMTIGHLQEPPO-UONOGXRCSA-N 1 3 320.441 0.805 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001575832908 1164165845 /nfs/dbraw/zinc/16/58/45/1164165845.db2.gz JTBVUBMNTXYKJP-HOCLYGCPSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)NCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001576010980 1164209013 /nfs/dbraw/zinc/20/90/13/1164209013.db2.gz OPYAYHNXKGGMMG-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576821700 1164483685 /nfs/dbraw/zinc/48/36/85/1164483685.db2.gz HXWLTLCJGIMDKN-HUUCEWRRSA-N 1 3 320.441 0.412 20 0 DCADHO CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CCc1cn[nH]n1 ZINC001576821700 1164483688 /nfs/dbraw/zinc/48/36/88/1164483688.db2.gz HXWLTLCJGIMDKN-HUUCEWRRSA-N 1 3 320.441 0.412 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@H]2CC[NH2+]2)CC1 ZINC001577778374 1164788057 /nfs/dbraw/zinc/78/80/57/1164788057.db2.gz WFILTUMCGBBEPL-HUUCEWRRSA-N 1 3 311.474 0.263 20 0 DCADHO CCNC(=O)C1(CNCc2cnnn2[C@H]2CCC[NH2+]C2)CCC1 ZINC001577785862 1164794999 /nfs/dbraw/zinc/79/49/99/1164794999.db2.gz VDSBFOALMXAKJQ-ZDUSSCGKSA-N 1 3 320.441 0.599 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)ccc1=O ZINC001578419519 1165009351 /nfs/dbraw/zinc/00/93/51/1165009351.db2.gz VVJCLYCAODJRGI-GZBFAFLISA-N 1 3 304.394 0.204 20 0 DCADHO CN(C[C@@H](O)C[NH3+])CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001578446324 1165020374 /nfs/dbraw/zinc/02/03/74/1165020374.db2.gz VEBJDPWIOWUMBD-UYJPIKCFSA-N 1 3 316.442 0.501 20 0 DCADHO C[N@H+](C[C@@H](O)CN)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001578446324 1165020383 /nfs/dbraw/zinc/02/03/83/1165020383.db2.gz VEBJDPWIOWUMBD-UYJPIKCFSA-N 1 3 316.442 0.501 20 0 DCADHO C[N@@H+](C[C@@H](O)CN)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001578446324 1165020388 /nfs/dbraw/zinc/02/03/88/1165020388.db2.gz VEBJDPWIOWUMBD-UYJPIKCFSA-N 1 3 316.442 0.501 20 0 DCADHO CN1CCN(C[C@H]2CC3(C[NH2+]C3)C(=O)O2)Cc2ccccc21 ZINC001578533555 1165048388 /nfs/dbraw/zinc/04/83/88/1165048388.db2.gz MVWBBAURXUMBAD-CQSZACIVSA-N 1 3 301.390 0.844 20 0 DCADHO CN1CC[NH2+]C[C@H]1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC001578540189 1165051756 /nfs/dbraw/zinc/05/17/56/1165051756.db2.gz PLDOVWMDGFPANZ-HOTGVXAUSA-N 1 3 318.421 0.095 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001578640135 1165073639 /nfs/dbraw/zinc/07/36/39/1165073639.db2.gz FPGYACHPEWWIMW-BBRMVZONSA-N 1 3 323.437 0.919 20 0 DCADHO COC[C@]1(CO)CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC001578984016 1165179123 /nfs/dbraw/zinc/17/91/23/1165179123.db2.gz BKIPTPXACCTVLC-YESZJQIVSA-N 1 3 308.422 0.248 20 0 DCADHO COC[C@]1(CO)CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC001578984016 1165179126 /nfs/dbraw/zinc/17/91/26/1165179126.db2.gz BKIPTPXACCTVLC-YESZJQIVSA-N 1 3 308.422 0.248 20 0 DCADHO Cn1ncc(C(F)(F)F)c1CNCCCN1CC[NH2+]CC1 ZINC001579998659 1165468000 /nfs/dbraw/zinc/46/80/00/1165468000.db2.gz RNYACBNPTUYCRR-UHFFFAOYSA-N 1 3 305.348 0.824 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC001580206115 1165536771 /nfs/dbraw/zinc/53/67/71/1165536771.db2.gz CKFNCSJMCNWWQM-WOPDTQHZSA-N 1 3 323.359 0.883 20 0 DCADHO [NH3+]CC[C@H](O)CN1CCN(CCCOCC(F)(F)F)CC1 ZINC001580284894 1165557502 /nfs/dbraw/zinc/55/75/02/1165557502.db2.gz WPSXOVUHGHYHNH-LBPRGKRZSA-N 1 3 313.364 0.283 20 0 DCADHO O[C@@]1(CN2CCN(c3ccnc(F)c3)CC2)CCC[NH2+]CC1 ZINC001580880348 1165750924 /nfs/dbraw/zinc/75/09/24/1165750924.db2.gz MIGCQQPEPWYJTR-INIZCTEOSA-N 1 3 308.401 0.847 20 0 DCADHO C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1-c1nnn[n-]1 ZINC001591095912 1167103595 /nfs/dbraw/zinc/10/35/95/1167103595.db2.gz JGVBAGMKDFYGFT-UHFFFAOYSA-N 1 3 301.398 0.204 20 0 DCADHO C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1-c1nnn[n-]1 ZINC001591095912 1167103602 /nfs/dbraw/zinc/10/36/02/1167103602.db2.gz JGVBAGMKDFYGFT-UHFFFAOYSA-N 1 3 301.398 0.204 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1C[NH3+] ZINC001603933513 1169440991 /nfs/dbraw/zinc/44/09/91/1169440991.db2.gz WHFNTIAQSKHPKJ-BYCMXARLSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1C[NH3+] ZINC001603933513 1169440995 /nfs/dbraw/zinc/44/09/95/1169440995.db2.gz WHFNTIAQSKHPKJ-BYCMXARLSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C[NH3+] ZINC001603933513 1169441009 /nfs/dbraw/zinc/44/10/09/1169441009.db2.gz WHFNTIAQSKHPKJ-BYCMXARLSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C[NH3+] ZINC001603933513 1169441012 /nfs/dbraw/zinc/44/10/12/1169441012.db2.gz WHFNTIAQSKHPKJ-BYCMXARLSA-N 1 3 316.409 0.817 20 0 DCADHO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(C2CCCC2)CC1 ZINC001646737077 1172500807 /nfs/dbraw/zinc/50/08/07/1172500807.db2.gz QMFTWQCTQZATHF-MRXNPFEDSA-N 1 3 324.469 0.563 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001646799611 1172539393 /nfs/dbraw/zinc/53/93/93/1172539393.db2.gz OSZZRCYODYVKDE-CVEARBPZSA-N 1 3 317.433 0.913 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001646800728 1172540739 /nfs/dbraw/zinc/54/07/39/1172540739.db2.gz VJVCLURAYNQEFZ-NEPJUHHUSA-N 1 3 301.456 0.423 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCOC3=O)CC2)CC1 ZINC001647336066 1172821459 /nfs/dbraw/zinc/82/14/59/1172821459.db2.gz JSJFLLUYMHSFQF-HNNXBMFYSA-N 1 3 323.437 0.614 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001647600993 1172994670 /nfs/dbraw/zinc/99/46/70/1172994670.db2.gz CMQKDCLQWKJSKC-HUUCEWRRSA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001647600993 1172994677 /nfs/dbraw/zinc/99/46/77/1172994677.db2.gz CMQKDCLQWKJSKC-HUUCEWRRSA-N 1 3 324.469 0.685 20 0 DCADHO CN1CCN(CC[NH2+]C2CCS(=O)(=O)CC2)CC1(C)C ZINC001650001939 1173368562 /nfs/dbraw/zinc/36/85/62/1173368562.db2.gz JIXYCNWRGSAGOC-UHFFFAOYSA-N 1 3 303.472 0.179 20 0 DCADHO Cc1nc([C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)no1 ZINC001650015366 1173377287 /nfs/dbraw/zinc/37/72/87/1173377287.db2.gz PSPOUECIWHOTNZ-CHWSQXEVSA-N 1 3 307.398 0.365 20 0 DCADHO Cc1nc([C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)no1 ZINC001650015366 1173377294 /nfs/dbraw/zinc/37/72/94/1173377294.db2.gz PSPOUECIWHOTNZ-CHWSQXEVSA-N 1 3 307.398 0.365 20 0 DCADHO NC(=O)[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Cc1ccc(F)cc1 ZINC001650159136 1173489363 /nfs/dbraw/zinc/48/93/63/1173489363.db2.gz UGBJEOQEGLHOKZ-GOEBONIOSA-N 1 3 323.412 0.516 20 0 DCADHO CN1CCNC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001650335653 1173574609 /nfs/dbraw/zinc/57/46/09/1173574609.db2.gz BSLSJEBQVDLBSR-INIZCTEOSA-N 1 3 308.470 0.661 20 0 DCADHO N[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCCCCC1 ZINC001650345717 1173582183 /nfs/dbraw/zinc/58/21/83/1173582183.db2.gz IERQOZWDFDKDGN-CVEARBPZSA-N 1 3 308.470 0.790 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001650365960 1173595048 /nfs/dbraw/zinc/59/50/48/1173595048.db2.gz BBRBOFRLMWDOOK-GFCCVEGCSA-N 1 3 300.447 0.228 20 0 DCADHO CN1CCNC[C@H]1C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001650409373 1173625996 /nfs/dbraw/zinc/62/59/96/1173625996.db2.gz AQNFYVJSHHEHNQ-CJNGLKHVSA-N 1 3 302.422 0.444 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001650607640 1173725802 /nfs/dbraw/zinc/72/58/02/1173725802.db2.gz UXSQJMVDCIBHHA-HZSPNIEDSA-N 1 3 305.426 0.515 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001650607640 1173725804 /nfs/dbraw/zinc/72/58/04/1173725804.db2.gz UXSQJMVDCIBHHA-HZSPNIEDSA-N 1 3 305.426 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001661690116 1174147003 /nfs/dbraw/zinc/14/70/03/1174147003.db2.gz HRJJSKOQSATIJM-OKILXGFUSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001662685567 1174231652 /nfs/dbraw/zinc/23/16/52/1174231652.db2.gz LVNPAKVXSLTDHI-HOTGVXAUSA-N 1 3 321.469 0.741 20 0 DCADHO CN(CCNCc1ccc2c(c1)OCCO2)C(=O)CC[NH+](C)C ZINC001664161108 1174404766 /nfs/dbraw/zinc/40/47/66/1174404766.db2.gz VFEOFWCTAOEZNS-UHFFFAOYSA-N 1 3 321.421 0.958 20 0 DCADHO C[C@H](CC[NH2+]CCn1cccn1)NC(=O)CN1CC[C@H](C)C1 ZINC001668213730 1174769430 /nfs/dbraw/zinc/76/94/30/1174769430.db2.gz DPFALADWBDADAX-LSDHHAIUSA-N 1 3 307.442 0.709 20 0 DCADHO C[C@H](O)C[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001672396376 1175103952 /nfs/dbraw/zinc/10/39/52/1175103952.db2.gz IMEKDIQBGOFQCI-AWEZNQCLSA-N 1 3 316.405 0.951 20 0 DCADHO O=C(N(CCO)CCNCc1cccnc1)C12CC[NH+](CC1)C2 ZINC001672702283 1175145111 /nfs/dbraw/zinc/14/51/11/1175145111.db2.gz ZEHNJZXMHWKQIU-UHFFFAOYSA-N 1 3 318.421 0.088 20 0 DCADHO COCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001675599298 1175377102 /nfs/dbraw/zinc/37/71/02/1175377102.db2.gz LVQNIOUUZUQHFZ-DZGCQCFKSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001689339693 1176835265 /nfs/dbraw/zinc/83/52/65/1176835265.db2.gz UZPPYKFDBRVROF-WJDZFGBRSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001689339693 1176835274 /nfs/dbraw/zinc/83/52/74/1176835274.db2.gz UZPPYKFDBRVROF-WJDZFGBRSA-N 1 3 310.442 0.067 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001690259113 1177199020 /nfs/dbraw/zinc/19/90/20/1177199020.db2.gz SXIITBGRCWGZGH-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)C1 ZINC001690909254 1177346196 /nfs/dbraw/zinc/34/61/96/1177346196.db2.gz BYNRRMHKIXPLHF-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)C1 ZINC001690909254 1177346200 /nfs/dbraw/zinc/34/62/00/1177346200.db2.gz BYNRRMHKIXPLHF-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001690909254 1177346205 /nfs/dbraw/zinc/34/62/05/1177346205.db2.gz BYNRRMHKIXPLHF-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001690909254 1177346210 /nfs/dbraw/zinc/34/62/10/1177346210.db2.gz BYNRRMHKIXPLHF-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)[C@@H](C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1)C1CC1 ZINC000134113042 1177529142 /nfs/dbraw/zinc/52/91/42/1177529142.db2.gz SHXMHRLRWFCGCS-INIZCTEOSA-N 1 3 318.469 0.658 20 0 DCADHO CCN(CCNCC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001699217105 1177949719 /nfs/dbraw/zinc/94/97/19/1177949719.db2.gz QUDMULXFVIHMDQ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001699217105 1177949727 /nfs/dbraw/zinc/94/97/27/1177949727.db2.gz QUDMULXFVIHMDQ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001699256538 1177992759 /nfs/dbraw/zinc/99/27/59/1177992759.db2.gz BLQJXZDLYDCZPY-VUBDOFJKSA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001699256538 1177992776 /nfs/dbraw/zinc/99/27/76/1177992776.db2.gz BLQJXZDLYDCZPY-VUBDOFJKSA-N 1 3 322.453 0.400 20 0 DCADHO COc1cncc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001699551200 1178196465 /nfs/dbraw/zinc/19/64/65/1178196465.db2.gz PYTIPYTYYYAHKE-CYBMUJFWSA-N 1 3 321.425 0.375 20 0 DCADHO COc1cncc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001699551200 1178196468 /nfs/dbraw/zinc/19/64/68/1178196468.db2.gz PYTIPYTYYYAHKE-CYBMUJFWSA-N 1 3 321.425 0.375 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001703385961 1179515362 /nfs/dbraw/zinc/51/53/62/1179515362.db2.gz VCHQPVVJHZJHKP-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001703646614 1179630573 /nfs/dbraw/zinc/63/05/73/1179630573.db2.gz PCSIGMWBNOHHNJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCN(C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001707379172 1180470017 /nfs/dbraw/zinc/47/00/17/1180470017.db2.gz ANCPBBQIIKPHDB-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001720136526 1180540263 /nfs/dbraw/zinc/54/02/63/1180540263.db2.gz YBJQAIBIGUATHF-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001720136526 1180540267 /nfs/dbraw/zinc/54/02/67/1180540267.db2.gz YBJQAIBIGUATHF-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)n[nH]1 ZINC001713151358 1180698350 /nfs/dbraw/zinc/69/83/50/1180698350.db2.gz GFWPNZQOWRABAD-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001713655022 1180999622 /nfs/dbraw/zinc/99/96/22/1180999622.db2.gz OWCVGZRVPHNKGF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCn1cc(CC[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001714689304 1181481730 /nfs/dbraw/zinc/48/17/30/1181481730.db2.gz CRGFBFATUMYUNW-OAHLLOKOSA-N 1 3 307.442 0.588 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714780849 1181543024 /nfs/dbraw/zinc/54/30/24/1181543024.db2.gz MZJXPQOMPIETTG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001714780849 1181543027 /nfs/dbraw/zinc/54/30/27/1181543027.db2.gz MZJXPQOMPIETTG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[NH2+]CCO[C@@H]1CC1(F)F)N(C)C(=O)CN1CCCC1 ZINC001714866635 1181576648 /nfs/dbraw/zinc/57/66/48/1181576648.db2.gz SASVOTFNOOCQQN-QWHCGFSZSA-N 1 3 319.396 0.943 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001715137554 1181698821 /nfs/dbraw/zinc/69/88/21/1181698821.db2.gz NHQLLORFBMHXEM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001715252687 1181735271 /nfs/dbraw/zinc/73/52/71/1181735271.db2.gz KOTFFZRAZDAMMH-UONOGXRCSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@H](CCNCc1cc2n(n1)CCC2)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715706342 1181950079 /nfs/dbraw/zinc/95/00/79/1181950079.db2.gz ISCLCBIGGQMEPC-KGLIPLIRSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@H](CCNCc1cc2n(n1)CCC2)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715706342 1181950083 /nfs/dbraw/zinc/95/00/83/1181950083.db2.gz ISCLCBIGGQMEPC-KGLIPLIRSA-N 1 3 319.453 0.765 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001715798081 1182008184 /nfs/dbraw/zinc/00/81/84/1182008184.db2.gz JEPVKTKRJNCPCN-BWPKMQGJSA-N 1 3 318.421 0.242 20 0 DCADHO CCN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1CCCCN1CC ZINC001716256237 1182281339 /nfs/dbraw/zinc/28/13/39/1182281339.db2.gz ULRGPCJTOOYRAC-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001716350097 1182352040 /nfs/dbraw/zinc/35/20/40/1182352040.db2.gz ATTYVAYWGLCXHO-SSBHQGKESA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001716350097 1182352044 /nfs/dbraw/zinc/35/20/44/1182352044.db2.gz ATTYVAYWGLCXHO-SSBHQGKESA-N 1 3 322.453 0.400 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001716453203 1182396182 /nfs/dbraw/zinc/39/61/82/1182396182.db2.gz XIOYYULUEUHLIH-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CN(C)CCOCCO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716491852 1182410274 /nfs/dbraw/zinc/41/02/74/1182410274.db2.gz HFTDMHDHEFSICP-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](CN(C)CCOCCO)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716491852 1182410280 /nfs/dbraw/zinc/41/02/80/1182410280.db2.gz HFTDMHDHEFSICP-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO COc1cccc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001716585629 1182457097 /nfs/dbraw/zinc/45/70/97/1182457097.db2.gz RCFMCKWNVQVGOT-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO COc1cccc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001716585629 1182457100 /nfs/dbraw/zinc/45/71/00/1182457100.db2.gz RCFMCKWNVQVGOT-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO CCOCCN1CC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001716671072 1182488511 /nfs/dbraw/zinc/48/85/11/1182488511.db2.gz KVMJCKVRIMKRLP-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001716767008 1182518562 /nfs/dbraw/zinc/51/85/62/1182518562.db2.gz GOLNKASWWGQASP-KGLIPLIRSA-N 1 3 324.425 0.584 20 0 DCADHO C[C@H](O)CN1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001717028378 1182634819 /nfs/dbraw/zinc/63/48/19/1182634819.db2.gz RLRMHGCHXZYTMN-GOEBONIOSA-N 1 3 315.458 0.042 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC/C=C/Cl)C1 ZINC001724825127 1184577164 /nfs/dbraw/zinc/57/71/64/1184577164.db2.gz LEWUGCJEBIPHIJ-BPJJOFIESA-N 1 3 303.834 0.898 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC/C=C/Cl)C1 ZINC001724825127 1184577167 /nfs/dbraw/zinc/57/71/67/1184577167.db2.gz LEWUGCJEBIPHIJ-BPJJOFIESA-N 1 3 303.834 0.898 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCCNC1=O ZINC001731316525 1185261884 /nfs/dbraw/zinc/26/18/84/1185261884.db2.gz BNEZEQNSXMIMSA-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCCNC1=O ZINC001731316525 1185261890 /nfs/dbraw/zinc/26/18/90/1185261890.db2.gz BNEZEQNSXMIMSA-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001732935566 1186069735 /nfs/dbraw/zinc/06/97/35/1186069735.db2.gz LUOLMRMQCCPRRG-PUVSPLIDSA-N 1 3 307.438 0.771 20 0 DCADHO COc1cc(CNC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001732934955 1186069903 /nfs/dbraw/zinc/06/99/03/1186069903.db2.gz UAWMOBQHMNUJBS-ABCZVMIZSA-N 1 3 318.421 0.804 20 0 DCADHO COc1cc(CNC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001732934955 1186069908 /nfs/dbraw/zinc/06/99/08/1186069908.db2.gz UAWMOBQHMNUJBS-ABCZVMIZSA-N 1 3 318.421 0.804 20 0 DCADHO CN(CCC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CCCN1C ZINC001733091189 1186132791 /nfs/dbraw/zinc/13/27/91/1186132791.db2.gz CCHJCLZZEGRNBV-HNNXBMFYSA-N 1 3 320.437 0.418 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNCc2cncc(F)c2)C1 ZINC001733631107 1186381446 /nfs/dbraw/zinc/38/14/46/1186381446.db2.gz ORNQAZYKFFZTRY-AWEZNQCLSA-N 1 3 324.400 0.083 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNCc2cncc(F)c2)C1 ZINC001733631107 1186381452 /nfs/dbraw/zinc/38/14/52/1186381452.db2.gz ORNQAZYKFFZTRY-AWEZNQCLSA-N 1 3 324.400 0.083 20 0 DCADHO Cc1cncc(CNCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001733631544 1186382705 /nfs/dbraw/zinc/38/27/05/1186382705.db2.gz ZIAGBMIDAHXPGU-MRXNPFEDSA-N 1 3 320.437 0.252 20 0 DCADHO Cc1cncc(CNCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001733631544 1186382711 /nfs/dbraw/zinc/38/27/11/1186382711.db2.gz ZIAGBMIDAHXPGU-MRXNPFEDSA-N 1 3 320.437 0.252 20 0 DCADHO CCCN(C)CC(=O)N1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001739181157 1187757809 /nfs/dbraw/zinc/75/78/09/1187757809.db2.gz LQGOTAPWLVXEFJ-UHFFFAOYSA-N 1 3 324.469 0.555 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)C23CCC[NH+]2CCC3)cn1 ZINC001753207335 1188535194 /nfs/dbraw/zinc/53/51/94/1188535194.db2.gz CWCOFNVYUPLSCC-UHFFFAOYSA-N 1 3 317.437 0.961 20 0 DCADHO CN(CC[NH2+]Cc1ccc(CO)cc1)C(=O)CN1CCCC1 ZINC001753261726 1188552489 /nfs/dbraw/zinc/55/24/89/1188552489.db2.gz CUJYLIVNDAAZAY-UHFFFAOYSA-N 1 3 305.422 0.823 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001754162686 1188765590 /nfs/dbraw/zinc/76/55/90/1188765590.db2.gz AKXPRMNEYZXGKG-RGDDUWESSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001754255023 1188800161 /nfs/dbraw/zinc/80/01/61/1188800161.db2.gz ASICRFQPPXBENC-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001759716538 1190278200 /nfs/dbraw/zinc/27/82/00/1190278200.db2.gz WHSWLFAAILAEFQ-WLBISTCBSA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001759716538 1190278203 /nfs/dbraw/zinc/27/82/03/1190278203.db2.gz WHSWLFAAILAEFQ-WLBISTCBSA-N 1 3 324.469 0.455 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CNCCO1)c1cccnc1 ZINC001772063553 1190602517 /nfs/dbraw/zinc/60/25/17/1190602517.db2.gz LHEGHERLGHFZFX-GJZGRUSLSA-N 1 3 321.425 0.362 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001772073659 1190604243 /nfs/dbraw/zinc/60/42/43/1190604243.db2.gz PBWUKNMRLSHGBG-GBJTYRQASA-N 1 3 310.442 0.632 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001772262503 1190647478 /nfs/dbraw/zinc/64/74/78/1190647478.db2.gz FPFDTQMHGBDMGD-FMKPAKJESA-N 1 3 306.410 0.580 20 0 DCADHO C[N@@H+]1C[C@@]23CN(C(=O)C[C@H]4CNCCO4)C[C@]2(C1)CCCC3 ZINC001772314036 1190660537 /nfs/dbraw/zinc/66/05/37/1190660537.db2.gz CYSJKAFXRWUTKO-BHYGNILZSA-N 1 3 307.438 0.699 20 0 DCADHO C[N@H+]1C[C@@]23CN(C(=O)C[C@H]4CNCCO4)C[C@]2(C1)CCCC3 ZINC001772314036 1190660538 /nfs/dbraw/zinc/66/05/38/1190660538.db2.gz CYSJKAFXRWUTKO-BHYGNILZSA-N 1 3 307.438 0.699 20 0 DCADHO O=C(CCC12CC(C1)C[NH2+]2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001772315729 1190661002 /nfs/dbraw/zinc/66/10/02/1190661002.db2.gz JVJVZFRJPGBSHF-GWUWNPHMSA-N 1 3 307.438 0.576 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001575832908 1164165848 /nfs/dbraw/zinc/16/58/48/1164165848.db2.gz JTBVUBMNTXYKJP-HOCLYGCPSA-N 1 3 310.442 0.030 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466457 751406652 /nfs/dbraw/zinc/40/66/52/751406652.db2.gz KDCZXWQSROGXCC-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127479310 751413927 /nfs/dbraw/zinc/41/39/27/751413927.db2.gz BZSXBAOXYQUXRE-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127479650 751414388 /nfs/dbraw/zinc/41/43/88/751414388.db2.gz DHJGFJPZVWWTTQ-AWEZNQCLSA-N 1 3 324.469 0.196 20 0 DCADHO CNS(=O)(=O)c1ccc(CCNC[C@@H]([NH3+])CC(F)F)cc1 ZINC001578746305 1165093294 /nfs/dbraw/zinc/09/32/94/1165093294.db2.gz GLRYQZJAOUGINA-NSHDSACASA-N 1 3 321.393 0.709 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001107042713 751787257 /nfs/dbraw/zinc/78/72/57/751787257.db2.gz ZDOVIFUKWUWRES-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778005 752061702 /nfs/dbraw/zinc/06/17/02/752061702.db2.gz BXEWWNLEEACFJV-STQMWFEESA-N 1 3 324.450 0.521 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778005 752061707 /nfs/dbraw/zinc/06/17/07/752061707.db2.gz BXEWWNLEEACFJV-STQMWFEESA-N 1 3 324.450 0.521 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405898 746943173 /nfs/dbraw/zinc/94/31/73/746943173.db2.gz RDWKREDSJAXIPV-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167235831 747033015 /nfs/dbraw/zinc/03/30/15/747033015.db2.gz ALKOITISAHUFFU-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929202 747038916 /nfs/dbraw/zinc/03/89/16/747038916.db2.gz YVAQZAQBMAKDAQ-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206952179 747049977 /nfs/dbraw/zinc/04/99/77/747049977.db2.gz CCCZKEBVPJBGQX-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001210811528 747138289 /nfs/dbraw/zinc/13/82/89/747138289.db2.gz PEQJSPGRFHNZGY-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001167480659 747277162 /nfs/dbraw/zinc/27/71/62/747277162.db2.gz PFPHPUJRAPZMNM-UHFFFAOYSA-N 1 3 315.458 0.213 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001114988697 747278527 /nfs/dbraw/zinc/27/85/27/747278527.db2.gz KFHXFDWTBRETSD-FOLVSLTJSA-N 1 3 305.426 0.271 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001114988697 747278531 /nfs/dbraw/zinc/27/85/31/747278531.db2.gz KFHXFDWTBRETSD-FOLVSLTJSA-N 1 3 305.426 0.271 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161352393 747282570 /nfs/dbraw/zinc/28/25/70/747282570.db2.gz VUJNFLHQULFOMN-IHRRRGAJSA-N 1 3 312.458 0.463 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001167626648 747436343 /nfs/dbraw/zinc/43/63/43/747436343.db2.gz DOYNNSINKZMLCR-OAHLLOKOSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001167626458 747436746 /nfs/dbraw/zinc/43/67/46/747436746.db2.gz BKIFMQPPVMJVHH-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO CCn1nncc1CNC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636743 747503471 /nfs/dbraw/zinc/50/34/71/747503471.db2.gz INPZUXOTHAOYLB-UHFFFAOYSA-N 1 3 308.430 0.234 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CCC4CC4)C[C@@H]32)C1 ZINC001083274862 747678777 /nfs/dbraw/zinc/67/87/77/747678777.db2.gz CWVXEHOIYFJXDO-OWCLPIDISA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CCC4CC4)C[C@@H]32)C1 ZINC001083274862 747678781 /nfs/dbraw/zinc/67/87/81/747678781.db2.gz CWVXEHOIYFJXDO-OWCLPIDISA-N 1 3 307.438 0.650 20 0 DCADHO COC[C@@H](C)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275383 747680845 /nfs/dbraw/zinc/68/08/45/747680845.db2.gz ZXDGBDNXTKVJRX-QLFBSQMISA-N 1 3 311.426 0.029 20 0 DCADHO COc1c(C2C[NH2+]C2)ncnc1-n1nc(CN)c2ccccc21 ZINC001167697791 747759613 /nfs/dbraw/zinc/75/96/13/747759613.db2.gz MLVGKPWDVPSQHO-UHFFFAOYSA-N 1 3 310.361 0.970 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCO)C2)C1 ZINC001104681949 747827520 /nfs/dbraw/zinc/82/75/20/747827520.db2.gz UIZPERRSYAJOBN-ARFHVFGLSA-N 1 3 311.470 0.785 20 0 DCADHO CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001104731988 747844624 /nfs/dbraw/zinc/84/46/24/747844624.db2.gz HNPSNSGHNMBUHU-YRGRVCCFSA-N 1 3 321.425 0.290 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001105064185 748018326 /nfs/dbraw/zinc/01/83/26/748018326.db2.gz BHISYWXIFRMKLD-HZSPNIEDSA-N 1 3 312.458 0.275 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1)N(C)C ZINC001112531430 748364181 /nfs/dbraw/zinc/36/41/81/748364181.db2.gz XOZKLHUYPMMHDS-ZOBUZTSGSA-N 1 3 311.470 0.927 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059352034 749016611 /nfs/dbraw/zinc/01/66/11/749016611.db2.gz NSSAXVWQXNWUQG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1nncc1CNCC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168136601 749472214 /nfs/dbraw/zinc/47/22/14/749472214.db2.gz HSJCWSIFCRHKJV-ZDUSSCGKSA-N 1 3 320.441 0.143 20 0 DCADHO Cn1nncc1CNCC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168136601 749472217 /nfs/dbraw/zinc/47/22/17/749472217.db2.gz HSJCWSIFCRHKJV-ZDUSSCGKSA-N 1 3 320.441 0.143 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1 ZINC001100899915 749513552 /nfs/dbraw/zinc/51/35/52/749513552.db2.gz HSZXPDGGSKUWAZ-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001077081538 750191537 /nfs/dbraw/zinc/19/15/37/750191537.db2.gz BQISMZJUMKFNQH-CHWSQXEVSA-N 1 3 311.451 0.993 20 0 DCADHO CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001077081538 750191540 /nfs/dbraw/zinc/19/15/40/750191540.db2.gz BQISMZJUMKFNQH-CHWSQXEVSA-N 1 3 311.451 0.993 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCN1CCO ZINC001088922315 750729765 /nfs/dbraw/zinc/72/97/65/750729765.db2.gz DZEUFASWZIEEHZ-CJNGLKHVSA-N 1 3 305.422 0.933 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1CCn1cccn1 ZINC001088980930 750753689 /nfs/dbraw/zinc/75/36/89/750753689.db2.gz WXBBKLRWMJERMQ-OAGGEKHMSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1CCn1cccn1 ZINC001088980930 750753692 /nfs/dbraw/zinc/75/36/92/750753692.db2.gz WXBBKLRWMJERMQ-OAGGEKHMSA-N 1 3 319.453 0.804 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001046073758 750877887 /nfs/dbraw/zinc/87/78/87/750877887.db2.gz LTLUCQGZEDEJLX-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001046073758 750877891 /nfs/dbraw/zinc/87/78/91/750877891.db2.gz LTLUCQGZEDEJLX-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CC1 ZINC001127254411 750928542 /nfs/dbraw/zinc/92/85/42/750928542.db2.gz FHGIOMDXAXNKQZ-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1CC1 ZINC001127254411 750928547 /nfs/dbraw/zinc/92/85/47/750928547.db2.gz FHGIOMDXAXNKQZ-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106249553 751065124 /nfs/dbraw/zinc/06/51/24/751065124.db2.gz KJBBPMZWWASXBB-XNRPHZJLSA-N 1 3 324.469 0.099 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127338712 751143978 /nfs/dbraw/zinc/14/39/78/751143978.db2.gz HDJQBTBOQDMUFS-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127338712 751143981 /nfs/dbraw/zinc/14/39/81/751143981.db2.gz HDJQBTBOQDMUFS-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357467 751196505 /nfs/dbraw/zinc/19/65/05/751196505.db2.gz YTAMMMLRTWBWFY-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357467 751196508 /nfs/dbraw/zinc/19/65/08/751196508.db2.gz YTAMMMLRTWBWFY-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106600468 751199455 /nfs/dbraw/zinc/19/94/55/751199455.db2.gz ZYAUCEUZIQGFPY-TZMCWYRMSA-N 1 3 322.457 0.639 20 0 DCADHO COc1ccc(OC)c(CN2CCC[C@](O)(C[NH3+])CC2)c1N ZINC001205219462 752593999 /nfs/dbraw/zinc/59/39/99/752593999.db2.gz DMWZBBCOEMEAFK-MRXNPFEDSA-N 1 3 309.410 0.962 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC ZINC001168606512 752677796 /nfs/dbraw/zinc/67/77/96/752677796.db2.gz GUNREWDECBTKMO-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCCC1 ZINC001044857470 752903515 /nfs/dbraw/zinc/90/35/15/752903515.db2.gz KAEKLNMRVKODTP-GJZGRUSLSA-N 1 3 320.441 0.343 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001045069029 753031896 /nfs/dbraw/zinc/03/18/96/753031896.db2.gz SFLIQFULOVMITD-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001045276325 753125251 /nfs/dbraw/zinc/12/52/51/753125251.db2.gz VLWYXAQFLIOXPX-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001045276325 753125255 /nfs/dbraw/zinc/12/52/55/753125255.db2.gz VLWYXAQFLIOXPX-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]CC2CCC2)C1 ZINC001078479132 753259379 /nfs/dbraw/zinc/25/93/79/753259379.db2.gz RRXOVWAHFPDSNJ-OAHLLOKOSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@]1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCN(CCO)C1 ZINC001046760332 753929892 /nfs/dbraw/zinc/92/98/92/753929892.db2.gz FNOSVNXPCJBTNC-KRWDZBQOSA-N 1 3 309.454 0.681 20 0 DCADHO CCCC[C@H]([NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)C(N)=O ZINC001128545126 754069362 /nfs/dbraw/zinc/06/93/62/754069362.db2.gz UOQRRGUVBFTXJC-STQMWFEESA-N 1 3 318.437 0.416 20 0 DCADHO N[C@H]1CN(C(=O)C[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C[C@H]1F ZINC001157537095 762271003 /nfs/dbraw/zinc/27/10/03/762271003.db2.gz WLUKGCRCRCRLNK-YUTCNCBUSA-N 1 3 304.369 0.935 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128782852 754280613 /nfs/dbraw/zinc/28/06/13/754280613.db2.gz CKMRZNIKBIMTGH-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128782852 754280618 /nfs/dbraw/zinc/28/06/18/754280618.db2.gz CKMRZNIKBIMTGH-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001168754890 754384571 /nfs/dbraw/zinc/38/45/71/754384571.db2.gz DCBUSRCJCHQSJB-CQSZACIVSA-N 1 3 312.458 0.340 20 0 DCADHO CO[C@@H](C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096355709 754740558 /nfs/dbraw/zinc/74/05/58/754740558.db2.gz BBLWSAYGFZXFQH-XGUBFFRZSA-N 1 3 307.438 0.839 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCCO[C@H]1CCOC1 ZINC001168762498 754905003 /nfs/dbraw/zinc/90/50/03/754905003.db2.gz DDQBSXSVZGXXLN-HNNXBMFYSA-N 1 3 315.458 0.620 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1)N(C)C ZINC001063497518 755190321 /nfs/dbraw/zinc/19/03/21/755190321.db2.gz UKEVAIFKUIYOQZ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079948952 756053014 /nfs/dbraw/zinc/05/30/14/756053014.db2.gz IAUCWYZRRTZPJH-RBSFLKMASA-N 1 3 309.454 0.680 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001080443481 756216000 /nfs/dbraw/zinc/21/60/00/756216000.db2.gz OEFIIEAVKCYXCG-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080560049 756246697 /nfs/dbraw/zinc/24/66/97/756246697.db2.gz UWYLSEQQHHDNAF-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO COCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205774 756406189 /nfs/dbraw/zinc/40/61/89/756406189.db2.gz XDNOGUTZYLOVSV-INIZCTEOSA-N 1 3 306.410 0.913 20 0 DCADHO COCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205774 756406193 /nfs/dbraw/zinc/40/61/93/756406193.db2.gz XDNOGUTZYLOVSV-INIZCTEOSA-N 1 3 306.410 0.913 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205025 756406384 /nfs/dbraw/zinc/40/63/84/756406384.db2.gz IUMQPDGJTKYFRK-CZUORRHYSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205025 756406386 /nfs/dbraw/zinc/40/63/86/756406386.db2.gz IUMQPDGJTKYFRK-CZUORRHYSA-N 1 3 306.410 0.648 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001082589399 757195570 /nfs/dbraw/zinc/19/55/70/757195570.db2.gz ZSLGQCLQXTVGRM-BPLDGKMQSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3cnnn3C)C2)C1 ZINC001082741902 757253944 /nfs/dbraw/zinc/25/39/44/757253944.db2.gz INXANGNHTXUMRG-UMVBOHGHSA-N 1 3 320.441 0.093 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3cnnn3C)C2)C1 ZINC001082741902 757253948 /nfs/dbraw/zinc/25/39/48/757253948.db2.gz INXANGNHTXUMRG-UMVBOHGHSA-N 1 3 320.441 0.093 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001082782597 757264509 /nfs/dbraw/zinc/26/45/09/757264509.db2.gz HCXBUDPQUREQSF-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082941771 757340216 /nfs/dbraw/zinc/34/02/16/757340216.db2.gz LDPLMRWZPPBQBX-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001050144230 757421447 /nfs/dbraw/zinc/42/14/47/757421447.db2.gz HEDKGKXUJIOPFP-BYNSBNAKSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001050144230 757421456 /nfs/dbraw/zinc/42/14/56/757421456.db2.gz HEDKGKXUJIOPFP-BYNSBNAKSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001050223124 757505786 /nfs/dbraw/zinc/50/57/86/757505786.db2.gz NIJGNKXAYQVELP-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001050236441 757525951 /nfs/dbraw/zinc/52/59/51/757525951.db2.gz QNHIFMYOYXYTJK-OCCSQVGLSA-N 1 3 319.409 0.059 20 0 DCADHO CCCN1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084088221 757667646 /nfs/dbraw/zinc/66/76/46/757667646.db2.gz WPBNKQFCLJBYAX-CVEARBPZSA-N 1 3 305.422 0.933 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001050456461 757722162 /nfs/dbraw/zinc/72/21/62/757722162.db2.gz JMWAJWDOIRLMMI-KBPBESRZSA-N 1 3 322.453 0.269 20 0 DCADHO CN(C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084614437 757933984 /nfs/dbraw/zinc/93/39/84/757933984.db2.gz WFKWNLSLEKQHIZ-TZMCWYRMSA-N 1 3 307.394 0.480 20 0 DCADHO CN(C)Cc1ccoc1C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084614437 757933987 /nfs/dbraw/zinc/93/39/87/757933987.db2.gz WFKWNLSLEKQHIZ-TZMCWYRMSA-N 1 3 307.394 0.480 20 0 DCADHO COC[C@@H](C)[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001050681513 757962731 /nfs/dbraw/zinc/96/27/31/757962731.db2.gz LCUBVRPBUIZDEO-CYBMUJFWSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050774572 758047056 /nfs/dbraw/zinc/04/70/56/758047056.db2.gz ZYUIHTQIQIRCRI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001085225302 758769333 /nfs/dbraw/zinc/76/93/33/758769333.db2.gz QAVTVVDFKXSLEJ-RRFJBIMHSA-N 1 3 324.469 0.752 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001085225302 758769340 /nfs/dbraw/zinc/76/93/40/758769340.db2.gz QAVTVVDFKXSLEJ-RRFJBIMHSA-N 1 3 324.469 0.752 20 0 DCADHO CN(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC2CCC2)C1)C1CC1 ZINC001051654175 758840285 /nfs/dbraw/zinc/84/02/85/758840285.db2.gz IRCSQZWDOIRYLR-HOTGVXAUSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCO1 ZINC001051722834 758894473 /nfs/dbraw/zinc/89/44/73/758894473.db2.gz WDJQMLHNNCYQIG-DGNOSDGRSA-N 1 3 323.437 0.075 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1)N(C)C ZINC001051830024 758975489 /nfs/dbraw/zinc/97/54/89/758975489.db2.gz JXYNHJVJLBPCHC-CVEARBPZSA-N 1 3 320.437 0.739 20 0 DCADHO CC(C)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731628 759246162 /nfs/dbraw/zinc/24/61/62/759246162.db2.gz GNOLAQGSVVOEPC-KRIMKBQASA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)N1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731628 759246168 /nfs/dbraw/zinc/24/61/68/759246168.db2.gz GNOLAQGSVVOEPC-KRIMKBQASA-N 1 3 307.438 0.791 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001147884965 767874367 /nfs/dbraw/zinc/87/43/67/767874367.db2.gz ITEMMJGMFDWAGN-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001147884965 767874372 /nfs/dbraw/zinc/87/43/72/767874372.db2.gz ITEMMJGMFDWAGN-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1)C(N)=O ZINC001086084729 759695056 /nfs/dbraw/zinc/69/50/56/759695056.db2.gz CZCYUCHNPSUQRK-LXTVHRRPSA-N 1 3 324.469 0.608 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086279004 759943231 /nfs/dbraw/zinc/94/32/31/759943231.db2.gz ZRRVMIPISYLKDU-XBXGTLAGSA-N 1 3 318.421 0.332 20 0 DCADHO CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086431949 760182954 /nfs/dbraw/zinc/18/29/54/760182954.db2.gz HVIMFQPTWLZNMJ-MYPHYYIGSA-N 1 3 321.465 0.990 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086497277 760261955 /nfs/dbraw/zinc/26/19/55/760261955.db2.gz FOZBBUBALPZFJH-ZQDZILKHSA-N 1 3 324.469 0.608 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365423 767974969 /nfs/dbraw/zinc/97/49/69/767974969.db2.gz PCYGNQRZOGHJSN-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363051 761045268 /nfs/dbraw/zinc/04/52/68/761045268.db2.gz DZYLVHOMYNSBSB-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364345 761050182 /nfs/dbraw/zinc/05/01/82/761050182.db2.gz STDRRWKFGLLCGT-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)CC[N@H+](C)CCC ZINC001148577856 768019436 /nfs/dbraw/zinc/01/94/36/768019436.db2.gz GWCJTROMNKIYPX-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)CC[N@@H+](C)CCC ZINC001148577856 768019440 /nfs/dbraw/zinc/01/94/40/768019440.db2.gz GWCJTROMNKIYPX-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCCO)C[C@@]3(C)C2)CCC1 ZINC001091735755 768018485 /nfs/dbraw/zinc/01/84/85/768018485.db2.gz WQEMOYGPTGNFAK-ZBFHGGJFSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCCO)C[C@@]3(C)C2)CCC1 ZINC001091735755 768018489 /nfs/dbraw/zinc/01/84/89/768018489.db2.gz WQEMOYGPTGNFAK-ZBFHGGJFSA-N 1 3 309.454 0.633 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC001148651918 768024612 /nfs/dbraw/zinc/02/46/12/768024612.db2.gz RHGAJXPWWYQODX-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC001148651918 768024615 /nfs/dbraw/zinc/02/46/15/768024615.db2.gz RHGAJXPWWYQODX-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459647 762730546 /nfs/dbraw/zinc/73/05/46/762730546.db2.gz FNUJQFQCCDSNAE-JJXSEGSLSA-N 1 3 309.454 0.965 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC001129450242 762938132 /nfs/dbraw/zinc/93/81/32/762938132.db2.gz YBEBTOXCGHPMBN-JKSUJKDBSA-N 1 3 323.412 0.905 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129442498 762945327 /nfs/dbraw/zinc/94/53/27/762945327.db2.gz BDXUURPSTPDAQV-JSGCOSHPSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129844948 763023311 /nfs/dbraw/zinc/02/33/11/763023311.db2.gz AVPXUQGUOJKDPC-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129844948 763023312 /nfs/dbraw/zinc/02/33/12/763023312.db2.gz AVPXUQGUOJKDPC-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170165 763160429 /nfs/dbraw/zinc/16/04/29/763160429.db2.gz QXJFJNLNPHZRSC-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccco1)N(C)C ZINC001130200951 763184388 /nfs/dbraw/zinc/18/43/88/763184388.db2.gz QRMUAQQBLLPCPW-TZMCWYRMSA-N 1 3 324.425 0.330 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCC1)N(C)C ZINC001130200934 763185076 /nfs/dbraw/zinc/18/50/76/763185076.db2.gz QIWHGLFCXFPPIN-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOC(C)C)C[C@H]1O ZINC001100066132 763272530 /nfs/dbraw/zinc/27/25/30/763272530.db2.gz CNXJFDSWSUZEDH-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOC(C)C)C[C@H]1O ZINC001100066132 763272534 /nfs/dbraw/zinc/27/25/34/763272534.db2.gz CNXJFDSWSUZEDH-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001130428017 763300762 /nfs/dbraw/zinc/30/07/62/763300762.db2.gz YXRYMQUQUXROAZ-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001130428017 763300773 /nfs/dbraw/zinc/30/07/73/763300773.db2.gz YXRYMQUQUXROAZ-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001130711606 763451367 /nfs/dbraw/zinc/45/13/67/763451367.db2.gz XIXZUIHKSBHSEK-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001130711606 763451370 /nfs/dbraw/zinc/45/13/70/763451370.db2.gz XIXZUIHKSBHSEK-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cnc(CNC2CC(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001100638587 763696285 /nfs/dbraw/zinc/69/62/85/763696285.db2.gz SZEHEUTZNTXUKP-UHFFFAOYSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3cncn3C)C2)C1 ZINC001100678162 763718262 /nfs/dbraw/zinc/71/82/62/763718262.db2.gz AXOAQAZZDGJLNK-WLYUNCDWSA-N 1 3 319.453 0.746 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC(=O)N(CCN(C)C)CC2)C1 ZINC001170560634 763822916 /nfs/dbraw/zinc/82/29/16/763822916.db2.gz KXTAVRVJNUEQPW-ZIAGYGMSSA-N 1 3 311.426 0.424 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)N(CCN(C)C)CC2)C1 ZINC001170560634 763822918 /nfs/dbraw/zinc/82/29/18/763822918.db2.gz KXTAVRVJNUEQPW-ZIAGYGMSSA-N 1 3 311.426 0.424 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](N2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001170560634 763822926 /nfs/dbraw/zinc/82/29/26/763822926.db2.gz KXTAVRVJNUEQPW-ZIAGYGMSSA-N 1 3 311.426 0.424 20 0 DCADHO CCC(CC)C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521601 763846079 /nfs/dbraw/zinc/84/60/79/763846079.db2.gz CORXBWUJPOSEQZ-CKDBGZEDSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC001101037412 763930559 /nfs/dbraw/zinc/93/05/59/763930559.db2.gz LWPGQNOTZVDWOI-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)CC2([NH+](C)C)CCCC2)C1=O ZINC001131844740 764062351 /nfs/dbraw/zinc/06/23/51/764062351.db2.gz LTGUYTMMFDGVHC-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)C1(CC(=O)NCCNCC(=O)N2CCC2)CCCC1 ZINC001131834606 764069518 /nfs/dbraw/zinc/06/95/18/764069518.db2.gz FLNWCPQVMZLZTO-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132283814 764351728 /nfs/dbraw/zinc/35/17/28/764351728.db2.gz JWRFUXFHIVZCKR-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213291 764554850 /nfs/dbraw/zinc/55/48/50/764554850.db2.gz AAKAEGKQKOEWGG-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001132886689 764708616 /nfs/dbraw/zinc/70/86/16/764708616.db2.gz RJMBAROCHMRQCS-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001132886689 764708621 /nfs/dbraw/zinc/70/86/21/764708621.db2.gz RJMBAROCHMRQCS-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132937181 764740020 /nfs/dbraw/zinc/74/00/20/764740020.db2.gz IAEOYCSBVFZUAY-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO Cc1cnc(C[NH2+]CCNC(=O)c2occc2CN(C)C)cn1 ZINC001132985181 764770613 /nfs/dbraw/zinc/77/06/13/764770613.db2.gz BDOOMCGTHSUUKC-UHFFFAOYSA-N 1 3 317.393 0.959 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995440 764783675 /nfs/dbraw/zinc/78/36/75/764783675.db2.gz SWGHOIZASJFMAK-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CCC[NH+](C)C)c1ccco1 ZINC001133051639 764802258 /nfs/dbraw/zinc/80/22/58/764802258.db2.gz IZSYQIHAYAQGNR-ZDUSSCGKSA-N 1 3 324.425 0.504 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]2C)[nH]1 ZINC001133092039 764823481 /nfs/dbraw/zinc/82/34/81/764823481.db2.gz XYVWEJGQNZYNMA-GXTWGEPZSA-N 1 3 322.457 0.639 20 0 DCADHO C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133122947 764836804 /nfs/dbraw/zinc/83/68/04/764836804.db2.gz WLSXIAFXHQZBEI-KBPBESRZSA-N 1 3 324.469 0.278 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090512 764940849 /nfs/dbraw/zinc/94/08/49/764940849.db2.gz WIJVBBHJFDFYDU-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090512 764940854 /nfs/dbraw/zinc/94/08/54/764940854.db2.gz WIJVBBHJFDFYDU-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO COc1ncc(CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001133415964 764957104 /nfs/dbraw/zinc/95/71/04/764957104.db2.gz WVVWBBYFDMOWHW-CQSZACIVSA-N 1 3 323.441 0.586 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O)[NH+](C)C ZINC001133433919 764966542 /nfs/dbraw/zinc/96/65/42/764966542.db2.gz CYSHZJOSICUTHU-ZIAGYGMSSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438340 765057045 /nfs/dbraw/zinc/05/70/45/765057045.db2.gz BZGXOAZHMCHGEA-HUUCEWRRSA-N 1 3 311.470 0.785 20 0 DCADHO C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)CN1CCC(C)(C)C1 ZINC001103438340 765057048 /nfs/dbraw/zinc/05/70/48/765057048.db2.gz BZGXOAZHMCHGEA-HUUCEWRRSA-N 1 3 311.470 0.785 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684320 765079163 /nfs/dbraw/zinc/07/91/63/765079163.db2.gz GYULWMPKKLDURT-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC1CC1)[NH+](CC)CC ZINC001133690457 765095222 /nfs/dbraw/zinc/09/52/22/765095222.db2.gz MDZUDFJBEQRYPF-JSGCOSHPSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C(=O)NCCN[C@H]1CCN(CC)C1=O)[NH+](CC)CC ZINC001133690554 765095449 /nfs/dbraw/zinc/09/54/49/765095449.db2.gz OQNIWRDOOJRNPV-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001133824128 765167486 /nfs/dbraw/zinc/16/74/86/765167486.db2.gz YIPOIJXXARALGV-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001133846391 765179556 /nfs/dbraw/zinc/17/95/56/765179556.db2.gz ZXKQQVJBIJOTIU-VXGBXAGGSA-N 1 3 305.369 0.458 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849949 765183381 /nfs/dbraw/zinc/18/33/81/765183381.db2.gz IBVCOWFOTIXLSG-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849949 765183384 /nfs/dbraw/zinc/18/33/84/765183384.db2.gz IBVCOWFOTIXLSG-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133866543 765190855 /nfs/dbraw/zinc/19/08/55/765190855.db2.gz MSQQCAJVFVFOIK-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133866543 765190862 /nfs/dbraw/zinc/19/08/62/765190862.db2.gz MSQQCAJVFVFOIK-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)CN2CCC(C)(C)C2)n1 ZINC001133896305 765215117 /nfs/dbraw/zinc/21/51/17/765215117.db2.gz HYNAHFOSXZUEGP-UHFFFAOYSA-N 1 3 321.469 0.938 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCc1ccnn1C)CC(C)(C)C ZINC001133906418 765220719 /nfs/dbraw/zinc/22/07/19/765220719.db2.gz VHTVHQIUYIHLGN-UHFFFAOYSA-N 1 3 309.458 0.646 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCC1)N(C)C ZINC001133968530 765261319 /nfs/dbraw/zinc/26/13/19/765261319.db2.gz YDRFDOWGQNWJLD-JSGCOSHPSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(=O)NC)cc1)N(C)C ZINC001133982699 765269634 /nfs/dbraw/zinc/26/96/34/765269634.db2.gz IRTMXBSEBWIKRD-HNNXBMFYSA-N 1 3 320.437 0.592 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001111952736 765437444 /nfs/dbraw/zinc/43/74/44/765437444.db2.gz XSTPGOIMARBARY-VBQJREDUSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111952736 765437449 /nfs/dbraw/zinc/43/74/49/765437449.db2.gz XSTPGOIMARBARY-VBQJREDUSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001134765993 765661166 /nfs/dbraw/zinc/66/11/66/765661166.db2.gz CCJAQQBQWFKPDZ-MRXNPFEDSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC1CCCC1 ZINC001124867206 768317169 /nfs/dbraw/zinc/31/71/69/768317169.db2.gz TYHRNOFXTPOAPG-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC1CCCC1 ZINC001124867203 768317477 /nfs/dbraw/zinc/31/74/77/768317477.db2.gz TYHRNOFXTPOAPG-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)[C@H](C2CC2)N(C)C)CCCCC1 ZINC001115572974 765760310 /nfs/dbraw/zinc/76/03/10/765760310.db2.gz BVZIZQSJVRVTMP-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cn1 ZINC001135093053 765801511 /nfs/dbraw/zinc/80/15/11/765801511.db2.gz GVEBMCHTIDQAGJ-CABCVRRESA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cn1 ZINC001135093053 765801517 /nfs/dbraw/zinc/80/15/17/765801517.db2.gz GVEBMCHTIDQAGJ-CABCVRRESA-N 1 3 305.426 0.643 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NCCN[C@@H]2CCCNC2=O)cc1 ZINC001135334247 765896103 /nfs/dbraw/zinc/89/61/03/765896103.db2.gz MFDUENBKCNKQHI-OAHLLOKOSA-N 1 3 318.421 0.346 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H]1CCN(C)C1=O)C(C)C ZINC001135473936 765943860 /nfs/dbraw/zinc/94/38/60/765943860.db2.gz AVWRIFQFSYVMQU-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCCS(=O)(=O)C(C)C ZINC001135513025 765965840 /nfs/dbraw/zinc/96/58/40/765965840.db2.gz DDYCUDJIGVIHDV-UHFFFAOYSA-N 1 3 321.487 0.247 20 0 DCADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2c(n1)OCCNC2 ZINC001170869441 766171159 /nfs/dbraw/zinc/17/11/59/766171159.db2.gz CNUHDHCYTCVGKH-VXGBXAGGSA-N 1 3 306.366 0.127 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001135979269 766193829 /nfs/dbraw/zinc/19/38/29/766193829.db2.gz DHNKYVYGDKKMHT-KBPBESRZSA-N 1 3 303.447 0.210 20 0 DCADHO Cc1nc(N)nc2c1nc(N[C@H](N)CCC[NH3+])c(=O)n2C(C)C ZINC001170898988 766249276 /nfs/dbraw/zinc/24/92/76/766249276.db2.gz GBCVJKDCJUUVNS-VIFPVBQESA-N 1 3 320.401 0.094 20 0 DCADHO CC[C@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC001118198272 766253096 /nfs/dbraw/zinc/25/30/96/766253096.db2.gz UGLGFBOKDDFTPL-YOEHRIQHSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090705279 766502795 /nfs/dbraw/zinc/50/27/95/766502795.db2.gz CMRHBKOAKNIZAV-HZPDHXFCSA-N 1 3 309.454 0.680 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119417504 766669295 /nfs/dbraw/zinc/66/92/95/766669295.db2.gz CSNFMMCAIMXFJL-XQQFMLRXSA-N 1 3 310.442 0.077 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160688278 767018419 /nfs/dbraw/zinc/01/84/19/767018419.db2.gz AKLUPWOANOBAQB-KBPBESRZSA-N 1 3 317.437 0.990 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160688278 767018429 /nfs/dbraw/zinc/01/84/29/767018429.db2.gz AKLUPWOANOBAQB-KBPBESRZSA-N 1 3 317.437 0.990 20 0 DCADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)NCc1ccccc1 ZINC001120487594 767036590 /nfs/dbraw/zinc/03/65/90/767036590.db2.gz BPYHCVDTNZLPIG-INIZCTEOSA-N 1 3 305.422 0.739 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC001120563552 767079051 /nfs/dbraw/zinc/07/90/51/767079051.db2.gz SHFRGTVFJMISBP-MRXNPFEDSA-N 1 3 313.486 0.660 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001120635051 767102585 /nfs/dbraw/zinc/10/25/85/767102585.db2.gz ZEUHWTIIEVJSID-HRCADAONSA-N 1 3 324.469 0.759 20 0 DCADHO C[NH+](C)CCCN=c1cc(NCCC[NH+](C)C)n2[n-]cnc2n1 ZINC001120872412 767283096 /nfs/dbraw/zinc/28/30/96/767283096.db2.gz DDUNXWWWTUMNDZ-UHFFFAOYSA-N 1 3 320.445 0.273 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCc1ccco1 ZINC001146710667 767509362 /nfs/dbraw/zinc/50/93/62/767509362.db2.gz KQLCOLROIHDPCQ-ZDUSSCGKSA-N 1 3 324.425 0.332 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCc1ccco1 ZINC001146710667 767509368 /nfs/dbraw/zinc/50/93/68/767509368.db2.gz KQLCOLROIHDPCQ-ZDUSSCGKSA-N 1 3 324.425 0.332 20 0 DCADHO Cc1noc(C)c1CNCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293663 767623530 /nfs/dbraw/zinc/62/35/30/767623530.db2.gz KAMIAMOKWOSWKS-UHFFFAOYSA-N 1 3 306.410 0.983 20 0 DCADHO O=C(CNCCNC(=O)C1CC[NH+](CC2CC2)CC1)NC1CC1 ZINC001147333773 767712018 /nfs/dbraw/zinc/71/20/18/767712018.db2.gz YLXVNFHWOHNXJU-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](CC)C(N)=O)C2 ZINC001122106915 767715963 /nfs/dbraw/zinc/71/59/63/767715963.db2.gz VPSCRFUILWIECY-XJIRZWNVSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H]([NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1)C(N)=O ZINC001122243001 767749155 /nfs/dbraw/zinc/74/91/55/767749155.db2.gz VHTYQKUZHQTNGX-OPFKTAGGSA-N 1 3 324.469 0.608 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCNCC(=O)NCC ZINC001147450118 767758143 /nfs/dbraw/zinc/75/81/43/767758143.db2.gz ZRRSWJQCBKABIR-UHFFFAOYSA-N 1 3 314.474 0.731 20 0 DCADHO CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725728 767831701 /nfs/dbraw/zinc/83/17/01/767831701.db2.gz ZASMBMVKXRKULS-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO CCOCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725728 767831708 /nfs/dbraw/zinc/83/17/08/767831708.db2.gz ZASMBMVKXRKULS-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001093024706 768435995 /nfs/dbraw/zinc/43/59/95/768435995.db2.gz CJUOIWBZLQJWPV-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001093024706 768436001 /nfs/dbraw/zinc/43/60/01/768436001.db2.gz CJUOIWBZLQJWPV-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccncc3O)CC[C@@H]2C1 ZINC001140276470 768522512 /nfs/dbraw/zinc/52/25/12/768522512.db2.gz LXWKQCZQBFAALC-NVXWUHKLSA-N 1 3 321.421 0.956 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccncc3O)CC[C@@H]2C1 ZINC001140276470 768522516 /nfs/dbraw/zinc/52/25/16/768522516.db2.gz LXWKQCZQBFAALC-NVXWUHKLSA-N 1 3 321.421 0.956 20 0 DCADHO COC[C@@H](C)N1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242520 769045961 /nfs/dbraw/zinc/04/59/61/769045961.db2.gz YXTNXPKGFMKXSR-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C[C@H](C)O)CCCO1 ZINC001149936542 769123443 /nfs/dbraw/zinc/12/34/43/769123443.db2.gz IAFKBJMGGDUZLV-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C[C@H](C)O)CCCO1 ZINC001149936542 769123445 /nfs/dbraw/zinc/12/34/45/769123445.db2.gz IAFKBJMGGDUZLV-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001171587141 769316566 /nfs/dbraw/zinc/31/65/66/769316566.db2.gz YRZPQKZQNXOMGD-GFCCVEGCSA-N 1 3 300.447 0.467 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N(CC)C1CC1 ZINC001171770012 769372981 /nfs/dbraw/zinc/37/29/81/769372981.db2.gz JPXMJRPCCULPKX-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152138387 769489519 /nfs/dbraw/zinc/48/95/19/769489519.db2.gz WQNPBOYXHOALHS-CHWSQXEVSA-N 1 3 307.442 0.807 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001152149016 769491391 /nfs/dbraw/zinc/49/13/91/769491391.db2.gz SGOHJSJDBLNLGJ-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001152147397 769492119 /nfs/dbraw/zinc/49/21/19/769492119.db2.gz MUIZJMWIRMIDMQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152222637 769509576 /nfs/dbraw/zinc/50/95/76/769509576.db2.gz ACADQBAKHWUCIC-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152222705 769509840 /nfs/dbraw/zinc/50/98/40/769509840.db2.gz AXSBDIZGSCCPSW-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC[NH2+][C@H]2CCCNC2=O)c1 ZINC001152245686 769514788 /nfs/dbraw/zinc/51/47/88/769514788.db2.gz KRPWIBNIBZQYKH-HNNXBMFYSA-N 1 3 318.421 0.346 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001152431767 769554218 /nfs/dbraw/zinc/55/42/18/769554218.db2.gz DSXGGIDELXWKRP-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+]1CC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001173358778 769603050 /nfs/dbraw/zinc/60/30/50/769603050.db2.gz BOZYYWDUGRLSTK-CYBMUJFWSA-N 1 3 317.437 0.935 20 0 DCADHO CC[N@H+]1CC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001173358778 769603053 /nfs/dbraw/zinc/60/30/53/769603053.db2.gz BOZYYWDUGRLSTK-CYBMUJFWSA-N 1 3 317.437 0.935 20 0 DCADHO COc1ccc2nc(CN3CCNC[C@@]34CC[NH2+]C4)[nH]c2c1 ZINC001234994246 769738119 /nfs/dbraw/zinc/73/81/19/769738119.db2.gz QQNBQIDGFQNPHV-INIZCTEOSA-N 1 3 301.394 0.709 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235020459 769743233 /nfs/dbraw/zinc/74/32/33/769743233.db2.gz DCYQYKXEUFICPK-MRXNPFEDSA-N 1 3 322.478 0.991 20 0 DCADHO C[C@@H](NCCNC(=O)CCCC[NH+]1CCCC1)C(=O)NC1CC1 ZINC001153310014 769779726 /nfs/dbraw/zinc/77/97/26/769779726.db2.gz XFQFKNOMGJEAPG-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1ccc2n1CCNC2 ZINC001235331297 769814061 /nfs/dbraw/zinc/81/40/61/769814061.db2.gz XKPDKJYEWRRWBG-VBNZEHGJSA-N 1 3 318.421 0.317 20 0 DCADHO C[NH2+]CCN1CCCn2cnc(CNC3CCOCC3)c2C1 ZINC001235652180 769923780 /nfs/dbraw/zinc/92/37/80/769923780.db2.gz GCOUQISARAQHDD-UHFFFAOYSA-N 1 3 307.442 0.577 20 0 DCADHO [NH3+]CC1CN([C@@H]2CCCN(Cc3nc4c(s3)CNCC4)C2)C1 ZINC001236079202 769977505 /nfs/dbraw/zinc/97/75/05/769977505.db2.gz MBNJFWUHYYBMEP-CYBMUJFWSA-N 1 3 321.494 0.644 20 0 DCADHO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cn1 ZINC001238243089 770108983 /nfs/dbraw/zinc/10/89/83/770108983.db2.gz RSURILZOPUGJMR-ZDUSSCGKSA-N 1 3 324.450 0.543 20 0 DCADHO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)cn1 ZINC001238243089 770108989 /nfs/dbraw/zinc/10/89/89/770108989.db2.gz RSURILZOPUGJMR-ZDUSSCGKSA-N 1 3 324.450 0.543 20 0 DCADHO CCOC(=O)CCNC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217897 770199025 /nfs/dbraw/zinc/19/90/25/770199025.db2.gz VSIYQZFIVYEMNH-GFCCVEGCSA-N 1 3 312.414 0.113 20 0 DCADHO c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)cc2c1C1(CNC1)OC2 ZINC001241900485 770276085 /nfs/dbraw/zinc/27/60/85/770276085.db2.gz UQOMQQLOVWMCOX-UHFFFAOYSA-N 1 3 323.400 0.882 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001176992211 770282986 /nfs/dbraw/zinc/28/29/86/770282986.db2.gz JOAOGIHDJCYQBU-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCn1cccn1 ZINC001176992386 770283043 /nfs/dbraw/zinc/28/30/43/770283043.db2.gz NPRHMRUWQBXGCX-HNNXBMFYSA-N 1 3 307.442 0.853 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc2c(nn1)CCNC2 ZINC001155229381 770442881 /nfs/dbraw/zinc/44/28/81/770442881.db2.gz BJYBYHIGIPFUKE-AWEZNQCLSA-N 1 3 321.425 0.665 20 0 DCADHO c1cn(-c2cc[nH+]c(NCc3nnn4c3CNCCC4)c2)cn1 ZINC001155399632 770491445 /nfs/dbraw/zinc/49/14/45/770491445.db2.gz DAGQYQNJXLFIIZ-UHFFFAOYSA-N 1 3 310.365 0.964 20 0 DCADHO Cc1cnc(NCc2nnn3c2CNCCC3)nc1C1C[NH2+]C1 ZINC001155400190 770492779 /nfs/dbraw/zinc/49/27/79/770492779.db2.gz MKHQXJBUTDFXLL-UHFFFAOYSA-N 1 3 314.397 0.169 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C)C(N)=O ZINC001179238915 770973265 /nfs/dbraw/zinc/97/32/65/770973265.db2.gz GZBKNPJUSJMFSE-RDBSUJKOSA-N 1 3 324.469 0.704 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C)n[nH]1 ZINC001179430681 771002940 /nfs/dbraw/zinc/00/29/40/771002940.db2.gz DDNGTQKGZDCMFJ-AAEUAGOBSA-N 1 3 320.441 0.534 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179765799 771014433 /nfs/dbraw/zinc/01/44/33/771014433.db2.gz AVJBMTBMAHVKBJ-RDBSUJKOSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001179766211 771014764 /nfs/dbraw/zinc/01/47/64/771014764.db2.gz OIDIQLPTYYCWEW-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(N)=O ZINC001180132006 771060657 /nfs/dbraw/zinc/06/06/57/771060657.db2.gz RKTIEMRZPLQLRM-SOUVJXGZSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180136264 771062157 /nfs/dbraw/zinc/06/21/57/771062157.db2.gz UWMUPNIPFNRTTB-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001180272513 771091168 /nfs/dbraw/zinc/09/11/68/771091168.db2.gz HIZVCKYDDAZJNF-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001151065710 771356737 /nfs/dbraw/zinc/35/67/37/771356737.db2.gz NCWQQVZKVVILMO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001151065710 771356743 /nfs/dbraw/zinc/35/67/43/771356743.db2.gz NCWQQVZKVVILMO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)S(=O)(=O)c1ccc(NC(=N)NCCCC[NH3+])nc1 ZINC001157098859 771533889 /nfs/dbraw/zinc/53/38/89/771533889.db2.gz COZOSWLFZGRHJV-UHFFFAOYSA-N 1 3 314.415 0.007 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741961 771547121 /nfs/dbraw/zinc/54/71/21/771547121.db2.gz YYIGZPGYPCMTIW-IVMMDQJWSA-N 1 3 324.425 0.034 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2noc3ccccc32)CC1 ZINC001157518997 771623829 /nfs/dbraw/zinc/62/38/29/771623829.db2.gz DQTWLBPUMXDVHX-CYBMUJFWSA-N 1 3 317.393 0.543 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001183240817 771627808 /nfs/dbraw/zinc/62/78/08/771627808.db2.gz VJFXVBIIETVEJR-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCN(CC2CCCCC2)CC1 ZINC001157579260 771635250 /nfs/dbraw/zinc/63/52/50/771635250.db2.gz LCFIKOYBIUPHKW-YESZJQIVSA-N 1 3 320.481 0.661 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183390894 771643752 /nfs/dbraw/zinc/64/37/52/771643752.db2.gz MUPCXMWJKYBWIW-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183390894 771643754 /nfs/dbraw/zinc/64/37/54/771643754.db2.gz MUPCXMWJKYBWIW-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]([NH3+])CCCc1ccccc1 ZINC001157715537 771657864 /nfs/dbraw/zinc/65/78/64/771657864.db2.gz GIKMLFAVYXYHEJ-CVEARBPZSA-N 1 3 305.422 0.783 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001183581134 771670121 /nfs/dbraw/zinc/67/01/21/771670121.db2.gz FCSXUYLEOKZUSR-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1)N(C)C ZINC001183582048 771670619 /nfs/dbraw/zinc/67/06/19/771670619.db2.gz PTKWMODPDGNDCX-JHJVBQTASA-N 1 3 319.396 0.941 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183581916 771670760 /nfs/dbraw/zinc/67/07/60/771670760.db2.gz PDSOPPGOFYWDLO-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC1(C)CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)[C@](C)(CO)C1 ZINC001157927201 771695404 /nfs/dbraw/zinc/69/54/04/771695404.db2.gz VIJSMXADOOKCQV-CJNGLKHVSA-N 1 3 309.454 0.870 20 0 DCADHO CC1(C)CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)[C@](C)(CO)C1 ZINC001157927201 771695405 /nfs/dbraw/zinc/69/54/05/771695405.db2.gz VIJSMXADOOKCQV-CJNGLKHVSA-N 1 3 309.454 0.870 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158031555 771716271 /nfs/dbraw/zinc/71/62/71/771716271.db2.gz MJXPURSHEAMDTC-GRDNDAEWSA-N 1 3 324.469 0.611 20 0 DCADHO COc1cccc([C@H](N)CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001158180074 771735640 /nfs/dbraw/zinc/73/56/40/771735640.db2.gz SNMMUWMBVGUWNW-FVQBIDKESA-N 1 3 319.405 0.532 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158186381 771736521 /nfs/dbraw/zinc/73/65/21/771736521.db2.gz GCFZTZYTNIFSCL-CKDBGZEDSA-N 1 3 303.406 0.741 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319838 771759133 /nfs/dbraw/zinc/75/91/33/771759133.db2.gz NMWWWZCRYHUIOC-ZIAGYGMSSA-N 1 3 302.378 0.092 20 0 DCADHO CC(C)N1CCN(c2cncc(N3CC[NH2+]CC3)n2)C[C@@H]1C ZINC001158494412 771782502 /nfs/dbraw/zinc/78/25/02/771782502.db2.gz HQRGFQSAFNEQLU-AWEZNQCLSA-N 1 3 304.442 0.805 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184713715 771816873 /nfs/dbraw/zinc/81/68/73/771816873.db2.gz TZEZCSNAPFPRNG-QWHCGFSZSA-N 1 3 312.458 0.276 20 0 DCADHO NC1(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001158903848 771833230 /nfs/dbraw/zinc/83/32/30/771833230.db2.gz QAMXAKUKSBTNFM-IAQYHMDHSA-N 1 3 320.368 0.566 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001184859203 771838959 /nfs/dbraw/zinc/83/89/59/771838959.db2.gz YKCQJYFHTADHAM-IJLUTSLNSA-N 1 3 323.359 0.584 20 0 DCADHO C[C@@H](NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001185401500 771911667 /nfs/dbraw/zinc/91/16/67/771911667.db2.gz RDKONBBNYYKEEE-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1)[NH+](CC)CC ZINC001185609739 771935178 /nfs/dbraw/zinc/93/51/78/771935178.db2.gz NRBRCBKYOSLCTI-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664517 771940832 /nfs/dbraw/zinc/94/08/32/771940832.db2.gz FQYCHABBHALMPT-YUELXQCFSA-N 1 3 304.394 0.231 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001185716388 771948775 /nfs/dbraw/zinc/94/87/75/771948775.db2.gz VZVUAXRGWMFMGG-BNOWGMLFSA-N 1 3 310.442 0.184 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1)C1CC1 ZINC001159917454 771977577 /nfs/dbraw/zinc/97/75/77/771977577.db2.gz WUBJPJJYNOTKCW-OAHLLOKOSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1)C1CCC1 ZINC001159997683 771986363 /nfs/dbraw/zinc/98/63/63/771986363.db2.gz YAYOGMLQYYIEQB-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001160003424 771987664 /nfs/dbraw/zinc/98/76/64/771987664.db2.gz NZJMILKCRNEVKO-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCOCC(F)F)N(C)C ZINC001160427303 772035584 /nfs/dbraw/zinc/03/55/84/772035584.db2.gz PBBDXJSDLNIGRO-ZDUSSCGKSA-N 1 3 309.401 0.950 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001186488670 772046019 /nfs/dbraw/zinc/04/60/19/772046019.db2.gz RBDLFWZGYWLZGG-CQSZACIVSA-N 1 3 307.442 0.495 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160576672 772069864 /nfs/dbraw/zinc/06/98/64/772069864.db2.gz XMJKMIACICPXML-ZDUSSCGKSA-N 1 3 311.426 0.744 20 0 DCADHO COc1ccccc1CCN(C)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160596296 772075132 /nfs/dbraw/zinc/07/51/32/772075132.db2.gz FKZSFPZMEZCDDY-CQSZACIVSA-N 1 3 303.406 0.505 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001160631852 772080116 /nfs/dbraw/zinc/08/01/16/772080116.db2.gz VLMOIPYPQUHQTP-VNHYZAJKSA-N 1 3 305.422 0.973 20 0 DCADHO N[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCc2cc(F)ccc2C1 ZINC001160643951 772084672 /nfs/dbraw/zinc/08/46/72/772084672.db2.gz QZLMSRYCSNAUNT-HOCLYGCPSA-N 1 3 307.369 0.198 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001160772278 772109327 /nfs/dbraw/zinc/10/93/27/772109327.db2.gz QIMHWTCUANOHKV-ONGXEEELSA-N 1 3 309.382 0.032 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC(C)C)N(C)C ZINC001160890147 772133936 /nfs/dbraw/zinc/13/39/36/772133936.db2.gz WJXCZRJFEVZNLB-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCc2cncs2)C1 ZINC001187122555 772138634 /nfs/dbraw/zinc/13/86/34/772138634.db2.gz WTOWFBJGCGIKPC-GFCCVEGCSA-N 1 3 312.439 0.412 20 0 DCADHO O=C(c1csc2c1CCNC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161010926 772149235 /nfs/dbraw/zinc/14/92/35/772149235.db2.gz NQKPXSUWJJETAO-CQSZACIVSA-N 1 3 321.446 0.723 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161011013 772149289 /nfs/dbraw/zinc/14/92/89/772149289.db2.gz PUAWIMRVALDLPD-CQSZACIVSA-N 1 3 321.446 0.723 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)n[nH]1 ZINC001187231138 772149889 /nfs/dbraw/zinc/14/98/89/772149889.db2.gz GFWPNZQOWRABAD-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001187321889 772164890 /nfs/dbraw/zinc/16/48/90/772164890.db2.gz GUICXFKPYSEVDN-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001187321882 772164928 /nfs/dbraw/zinc/16/49/28/772164928.db2.gz GMMIVULOUXLHIK-CQSZACIVSA-N 1 3 307.442 0.495 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001187328849 772166909 /nfs/dbraw/zinc/16/69/09/772166909.db2.gz LWROEVPRMKOKTO-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO COCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203658856 772171174 /nfs/dbraw/zinc/17/11/74/772171174.db2.gz DUMUVJSICYLOHI-UONOGXRCSA-N 1 3 306.410 0.924 20 0 DCADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161132345 772173117 /nfs/dbraw/zinc/17/31/17/772173117.db2.gz YHDRJMSVWRAGKC-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161132345 772173118 /nfs/dbraw/zinc/17/31/18/772173118.db2.gz YHDRJMSVWRAGKC-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC(C3CC[NH2+]CC3)CC2)CC1 ZINC001161208601 772184696 /nfs/dbraw/zinc/18/46/96/772184696.db2.gz VIUFLXRGXVGGEG-UHFFFAOYSA-N 1 3 309.454 0.681 20 0 DCADHO CC1(C)OCCC12CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001161240266 772189546 /nfs/dbraw/zinc/18/95/46/772189546.db2.gz XPPZLXMGEIYPSQ-LBPRGKRZSA-N 1 3 315.483 0.813 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161276193 772195521 /nfs/dbraw/zinc/19/55/21/772195521.db2.gz QIXOLCZSYNCGPQ-JKSUJKDBSA-N 1 3 317.437 0.066 20 0 DCADHO NCc1ccc(C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)cn1 ZINC001161382470 772215134 /nfs/dbraw/zinc/21/51/34/772215134.db2.gz YVAXPDISQRZCTG-OAHLLOKOSA-N 1 3 303.410 0.178 20 0 DCADHO COc1cc(O[C@H]2CCN(C(=O)[C@H](N)CCC[NH3+])C2)ccn1 ZINC001161394500 772216656 /nfs/dbraw/zinc/21/66/56/772216656.db2.gz NCHZGIUPNSUWTL-QWHCGFSZSA-N 1 3 308.382 0.136 20 0 DCADHO Cc1cccnc1O[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161396105 772217380 /nfs/dbraw/zinc/21/73/80/772217380.db2.gz ZOAWNMAJMLQXEK-KBPBESRZSA-N 1 3 316.405 0.179 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187826370 772238031 /nfs/dbraw/zinc/23/80/31/772238031.db2.gz YTBIFKXDPONNRM-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187826370 772238034 /nfs/dbraw/zinc/23/80/34/772238034.db2.gz YTBIFKXDPONNRM-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCn2ncc(Br)c2C1 ZINC001161523362 772239174 /nfs/dbraw/zinc/23/91/74/772239174.db2.gz LXRSPYWRDOQUAE-VIFPVBQESA-N 1 3 316.203 0.054 20 0 DCADHO O=C([C@@H]1[C@H](O)CCN1Cc1ccccc1)N1CC[NH2+]C2(CC2)C1 ZINC001161545108 772242835 /nfs/dbraw/zinc/24/28/35/772242835.db2.gz MMWZOPPZXMIMHJ-CVEARBPZSA-N 1 3 315.417 0.586 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188118052 772268698 /nfs/dbraw/zinc/26/86/98/772268698.db2.gz DVYJYYVUPCAXFZ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001188139121 772271038 /nfs/dbraw/zinc/27/10/38/772271038.db2.gz IJWPGKLBWBVTKU-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158708 772277122 /nfs/dbraw/zinc/27/71/22/772277122.db2.gz VTGGHIBINZKQFZ-CQSZACIVSA-N 1 3 301.431 0.180 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)n1 ZINC001188158668 772277637 /nfs/dbraw/zinc/27/76/37/772277637.db2.gz TZEOCILCQUKNDY-CQSZACIVSA-N 1 3 323.441 0.841 20 0 DCADHO COC(=O)c1c[n-]c2nc[nH+]c(NCCN3CCC([NH3+])CC3)c12 ZINC001161867815 772291981 /nfs/dbraw/zinc/29/19/81/772291981.db2.gz PNRDPFKSOSBZBU-UHFFFAOYSA-N 1 3 318.381 0.531 20 0 DCADHO CC(C)CC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162852282 772425932 /nfs/dbraw/zinc/42/59/32/772425932.db2.gz XXYWJXJUDLPQNE-CKDBGZEDSA-N 1 3 309.454 0.992 20 0 DCADHO Cn1ccc(CNCCCNC(=O)C(C)(C)[NH+]2CCCC2)n1 ZINC001163833473 772579673 /nfs/dbraw/zinc/57/96/73/772579673.db2.gz OZBLPKOAIQNVSY-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO c1nn(-c2ccc(OCC3CC[NH2+]CC3)nn2)c2c1CNCC2 ZINC001165223684 772707101 /nfs/dbraw/zinc/70/71/01/772707101.db2.gz SNGLSMSNUILUTM-UHFFFAOYSA-N 1 3 314.393 0.686 20 0 DCADHO Cc1nc(N2CCCC2)cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001165281962 772716466 /nfs/dbraw/zinc/71/64/66/772716466.db2.gz OLBLUJVZMVIMHH-CJNGLKHVSA-N 1 3 303.410 0.403 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001165465252 772740682 /nfs/dbraw/zinc/74/06/82/772740682.db2.gz ZLMQNCSBGDMUQF-LBPRGKRZSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004814 772777853 /nfs/dbraw/zinc/77/78/53/772777853.db2.gz ZEGPIDLLGAQELW-CQSZACIVSA-N 1 3 300.447 0.193 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004596 772777864 /nfs/dbraw/zinc/77/78/64/772777864.db2.gz TWPMNYHNHPVUAY-DZGCQCFKSA-N 1 3 314.474 0.583 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166009893 772778450 /nfs/dbraw/zinc/77/84/50/772778450.db2.gz BGSUKUASYXQALG-OAHLLOKOSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F ZINC001166627092 772830863 /nfs/dbraw/zinc/83/08/63/772830863.db2.gz PSALGAMNAVZKBR-STQMWFEESA-N 1 3 319.396 0.991 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001166627613 772831117 /nfs/dbraw/zinc/83/11/17/772831117.db2.gz XPECCGPJTAOEJC-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001166677892 772839445 /nfs/dbraw/zinc/83/94/45/772839445.db2.gz POMIQAPYYKORMX-LBPRGKRZSA-N 1 3 323.397 0.051 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001166678964 772840185 /nfs/dbraw/zinc/84/01/85/772840185.db2.gz ZWTFWRDHNKGIFU-CQSZACIVSA-N 1 3 321.469 0.938 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC001166707915 772845771 /nfs/dbraw/zinc/84/57/71/772845771.db2.gz KHEJZHPQYVSTRM-CZUORRHYSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC001166707915 772845775 /nfs/dbraw/zinc/84/57/75/772845775.db2.gz KHEJZHPQYVSTRM-CZUORRHYSA-N 1 3 320.437 0.884 20 0 DCADHO CCNC(=O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744432 772855507 /nfs/dbraw/zinc/85/55/07/772855507.db2.gz WRDKHYWHBOHRIQ-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C(=O)N(C)C ZINC001166764470 772856844 /nfs/dbraw/zinc/85/68/44/772856844.db2.gz FYYMVJXCFPDRNE-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1)N(C)C ZINC001166851786 772870560 /nfs/dbraw/zinc/87/05/60/772870560.db2.gz HCLVSMWPKFLEQK-OCCSQVGLSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C ZINC001166852320 772870634 /nfs/dbraw/zinc/87/06/34/772870634.db2.gz PCPOCRZSRSZTEH-STQMWFEESA-N 1 3 321.487 0.103 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001166866445 772872737 /nfs/dbraw/zinc/87/27/37/772872737.db2.gz NWSRBNVBGVTERU-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(=O)NC1CC1 ZINC001203714238 772920768 /nfs/dbraw/zinc/92/07/68/772920768.db2.gz JCNSHSKXKQITES-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001203902211 772929059 /nfs/dbraw/zinc/92/90/59/772929059.db2.gz DDXUWNVFYHUKCX-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001204797732 772961961 /nfs/dbraw/zinc/96/19/61/772961961.db2.gz BATIKWPIPBKTGP-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001205230995 772984160 /nfs/dbraw/zinc/98/41/60/772984160.db2.gz VASYHXKMCCZYPO-HNNXBMFYSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001205230995 772984162 /nfs/dbraw/zinc/98/41/62/772984162.db2.gz VASYHXKMCCZYPO-HNNXBMFYSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001205230995 772984165 /nfs/dbraw/zinc/98/41/65/772984165.db2.gz VASYHXKMCCZYPO-HNNXBMFYSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001205230995 772984167 /nfs/dbraw/zinc/98/41/67/772984167.db2.gz VASYHXKMCCZYPO-HNNXBMFYSA-N 1 3 302.382 0.542 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1 ZINC001193279709 773037800 /nfs/dbraw/zinc/03/78/00/773037800.db2.gz RBIOHIBCJCHMPD-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1 ZINC001193279709 773037803 /nfs/dbraw/zinc/03/78/03/773037803.db2.gz RBIOHIBCJCHMPD-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001206273848 773060218 /nfs/dbraw/zinc/06/02/18/773060218.db2.gz AYHUETSHGQJHTC-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C[C@@H](O)COC)CC1 ZINC001206890360 773121875 /nfs/dbraw/zinc/12/18/75/773121875.db2.gz NWXVCQMBGUCBDF-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001206890319 773121882 /nfs/dbraw/zinc/12/18/82/773121882.db2.gz LOWQIVSMYOMWLT-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001193892518 773125510 /nfs/dbraw/zinc/12/55/10/773125510.db2.gz QLNBEZFEZHRUCS-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892518 773125513 /nfs/dbraw/zinc/12/55/13/773125513.db2.gz QLNBEZFEZHRUCS-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO COCCOCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285075 773176026 /nfs/dbraw/zinc/17/60/26/773176026.db2.gz PGNQGELQLLEJFW-HNNXBMFYSA-N 1 3 315.458 0.522 20 0 DCADHO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285075 773176028 /nfs/dbraw/zinc/17/60/28/773176028.db2.gz PGNQGELQLLEJFW-HNNXBMFYSA-N 1 3 315.458 0.522 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014030 773372217 /nfs/dbraw/zinc/37/22/17/773372217.db2.gz LNVYFQSEMAHIEP-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014030 773372222 /nfs/dbraw/zinc/37/22/22/773372222.db2.gz LNVYFQSEMAHIEP-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC)C2)CC[N@@H+]1C ZINC001208073349 773394306 /nfs/dbraw/zinc/39/43/06/773394306.db2.gz IPXIBEPTHYPRBA-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC)C2)CC[N@H+]1C ZINC001208073349 773394313 /nfs/dbraw/zinc/39/43/13/773394313.db2.gz IPXIBEPTHYPRBA-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328162 773433848 /nfs/dbraw/zinc/43/38/48/773433848.db2.gz ADXPONBOYZIITC-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334534 773436134 /nfs/dbraw/zinc/43/61/34/773436134.db2.gz JMFHSSALDZITAE-GDBMZVCRSA-N 1 3 324.469 0.432 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208372753 773445080 /nfs/dbraw/zinc/44/50/80/773445080.db2.gz BNLHWDSEVUGCMF-ZNMIVQPWSA-N 1 3 315.458 0.161 20 0 DCADHO COCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208640037 773510109 /nfs/dbraw/zinc/51/01/09/773510109.db2.gz XQBZOCAKYHVZJF-KRIMKBQASA-N 1 3 323.437 0.077 20 0 DCADHO COCCN1CCC([NH+]2CCC(N3CCN(C)CC3)CC2)CC1 ZINC001209210712 773569172 /nfs/dbraw/zinc/56/91/72/773569172.db2.gz FQSZRVZDNZYVNX-UHFFFAOYSA-N 1 3 324.513 0.809 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001209305220 773589279 /nfs/dbraw/zinc/58/92/79/773589279.db2.gz WMPQRZJYLUTEID-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209316175 773591103 /nfs/dbraw/zinc/59/11/03/773591103.db2.gz YJKBTNGWJJHZIW-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454885 773607083 /nfs/dbraw/zinc/60/70/83/773607083.db2.gz ONDIUXSFOVNHQK-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001209485878 773608840 /nfs/dbraw/zinc/60/88/40/773608840.db2.gz SUXHYFCHVPUMEF-GDBMZVCRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[NH+](CC)CCCNC(=S)N1CCOC[C@@H]1CN(C)C ZINC001196678711 773625541 /nfs/dbraw/zinc/62/55/41/773625541.db2.gz JAGYVOSRJHRIBC-AWEZNQCLSA-N 1 3 316.515 0.855 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643351 773629369 /nfs/dbraw/zinc/62/93/69/773629369.db2.gz RYJJNUJZLJHHSY-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001209690140 773635019 /nfs/dbraw/zinc/63/50/19/773635019.db2.gz OPKJXQIESODBHK-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+](CC)CCCNC(=S)NC1(CO)CCN(C)CC1 ZINC001196719777 773636983 /nfs/dbraw/zinc/63/69/83/773636983.db2.gz OTYKYERDCRVSHU-UHFFFAOYSA-N 1 3 316.515 0.639 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001209835812 773652086 /nfs/dbraw/zinc/65/20/86/773652086.db2.gz FVRQDSYYXTXNTF-AWEZNQCLSA-N 1 3 306.410 0.959 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001210217367 773686537 /nfs/dbraw/zinc/68/65/37/773686537.db2.gz HSOHEPDTARKSRQ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001210782377 773736765 /nfs/dbraw/zinc/73/67/65/773736765.db2.gz MGVJKTSXXAEFPO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001210782377 773736769 /nfs/dbraw/zinc/73/67/69/773736769.db2.gz MGVJKTSXXAEFPO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001210810627 773741882 /nfs/dbraw/zinc/74/18/82/773741882.db2.gz BHUZZASSJDXNBF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211071687 773766781 /nfs/dbraw/zinc/76/67/81/773766781.db2.gz LCHNBHZSCHGOIZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211071687 773766786 /nfs/dbraw/zinc/76/67/86/773766786.db2.gz LCHNBHZSCHGOIZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211241671 773785677 /nfs/dbraw/zinc/78/56/77/773785677.db2.gz WEARSHNDBDQEEF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001211283236 773789990 /nfs/dbraw/zinc/78/99/90/773789990.db2.gz FUWCYVAXLHKMTE-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214344244 773961626 /nfs/dbraw/zinc/96/16/26/773961626.db2.gz PQFONMGTNQSQGU-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058427 774037533 /nfs/dbraw/zinc/03/75/33/774037533.db2.gz PBPZYNZXWFGLBD-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO N#Cc1ccc([C@H](O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000402126523 774076140 /nfs/dbraw/zinc/07/61/40/774076140.db2.gz DVFNSVMOJHLYMK-IAGOWNOFSA-N 1 3 300.406 0.571 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001215571195 774083443 /nfs/dbraw/zinc/08/34/43/774083443.db2.gz DGPVVQQAHIDRLY-BNOWGMLFSA-N 1 3 310.442 0.042 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216002659 774099316 /nfs/dbraw/zinc/09/93/16/774099316.db2.gz YSWMGSGPQQXNPX-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001216852329 774143432 /nfs/dbraw/zinc/14/34/32/774143432.db2.gz ULIJUGKSCOULNI-GDBMZVCRSA-N 1 3 321.469 0.739 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001199788619 774199563 /nfs/dbraw/zinc/19/95/63/774199563.db2.gz UHMIWSNYTZCABY-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO F[C@@H]1[C@H]2CC[C@@H](C[C@H]1Oc1ccnc3c4c(nn31)CCNC4)[NH2+]2 ZINC001218282111 774218921 /nfs/dbraw/zinc/21/89/21/774218921.db2.gz ZLYPLHJLYMVCBD-XRFFLINXSA-N 1 3 317.368 0.985 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199826359 774219174 /nfs/dbraw/zinc/21/91/74/774219174.db2.gz JZOHAJIDJSHPKS-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO F[C@@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1ccnc3c4c(nn31)CCNC4)[NH2+]2 ZINC001218282105 774219315 /nfs/dbraw/zinc/21/93/15/774219315.db2.gz ZLYPLHJLYMVCBD-BYDSVVRCSA-N 1 3 317.368 0.985 20 0 DCADHO CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)s1 ZINC001218546584 774243940 /nfs/dbraw/zinc/24/39/40/774243940.db2.gz GLCPHELMXYFOMX-NSHDSACASA-N 1 3 323.418 0.845 20 0 DCADHO O=C(Nc1cnc(C(F)(F)F)nc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218584871 774256260 /nfs/dbraw/zinc/25/62/60/774256260.db2.gz IRWZEJMFHRPVTK-PRHODGIISA-N 1 3 315.299 0.633 20 0 DCADHO Cc1nc(NC(=O)[C@@H](N)CCCC[NH3+])cc(N2CCOCC2)n1 ZINC001218621564 774266106 /nfs/dbraw/zinc/26/61/06/774266106.db2.gz WXVOHFISXZERLQ-LBPRGKRZSA-N 1 3 322.413 0.016 20 0 DCADHO Cc1cnn(Cc2ccccn2)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218741462 774293096 /nfs/dbraw/zinc/29/30/96/774293096.db2.gz OXRBJGCERVKLQC-CYBMUJFWSA-N 1 3 302.382 0.640 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)Nc1ccnn1-c1ccncc1 ZINC001218743619 774293714 /nfs/dbraw/zinc/29/37/14/774293714.db2.gz VIOUARLEHWOGOP-NSHDSACASA-N 1 3 306.395 0.225 20 0 DCADHO O=C(Nc1nc(F)c(F)c(Cl)c1F)[C@H]1C[NH2+]CC12CNC2 ZINC001218753226 774297716 /nfs/dbraw/zinc/29/77/16/774297716.db2.gz GNFINNHOZWFGKX-RXMQYKEDSA-N 1 3 320.702 0.900 20 0 DCADHO O=C(Nc1ccnc(OC(F)(F)F)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218754482 774297924 /nfs/dbraw/zinc/29/79/24/774297924.db2.gz PWLOITXPTKWFRS-VIFPVBQESA-N 1 3 316.283 0.728 20 0 DCADHO CCOC(=O)c1ncc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cn1 ZINC001218757893 774298911 /nfs/dbraw/zinc/29/89/11/774298911.db2.gz YJUQSUWNKQZORY-LBPRGKRZSA-N 1 3 323.397 0.651 20 0 DCADHO COC(=O)c1cc(OC)ccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218821447 774311447 /nfs/dbraw/zinc/31/14/47/774311447.db2.gz HGHUTXYEQZSYNE-LBPRGKRZSA-N 1 3 309.366 0.877 20 0 DCADHO O=C(Nc1ccc2[nH]nc(Cl)c2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218824956 774312111 /nfs/dbraw/zinc/31/21/11/774312111.db2.gz RFPNMPJQEPNUGG-JTQLQIEISA-N 1 3 305.769 0.964 20 0 DCADHO N[C@H](C(=O)Nc1ccc2c(c1)CCNC2=O)C1CC[NH2+]CC1 ZINC001218934623 774331388 /nfs/dbraw/zinc/33/13/88/774331388.db2.gz HERKGKLFAVPLTF-AWEZNQCLSA-N 1 3 302.378 0.238 20 0 DCADHO COC(=O)c1c2n[nH]cc2ccc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218989677 774342731 /nfs/dbraw/zinc/34/27/31/774342731.db2.gz VZYIDSRRGFPFGJ-SECBINFHSA-N 1 3 305.338 0.354 20 0 DCADHO COc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc2cccnc21 ZINC001219200499 774406741 /nfs/dbraw/zinc/40/67/41/774406741.db2.gz YPOIAONBFWQFMH-CYBMUJFWSA-N 1 3 312.373 0.991 20 0 DCADHO COC(=O)c1ccc(N(C(=O)[C@H](N)CCC[NH3+])C2CC2)c(N)c1 ZINC001219313505 774444805 /nfs/dbraw/zinc/44/48/05/774444805.db2.gz YYEBMNRVIQXVPT-GFCCVEGCSA-N 1 3 320.393 0.617 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001201149977 774455057 /nfs/dbraw/zinc/45/50/57/774455057.db2.gz RFGXVTUDDYUDQI-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001201240788 774469929 /nfs/dbraw/zinc/46/99/29/774469929.db2.gz YOSFADJWRADWCH-SWLSCSKDSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCCOC)C1)N(C)C ZINC001201411114 774505891 /nfs/dbraw/zinc/50/58/91/774505891.db2.gz NZFBNIHCQDCVGS-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219532588 774526440 /nfs/dbraw/zinc/52/64/40/774526440.db2.gz AULZTSYJRSWURH-COPLHBTASA-N 1 3 313.361 0.366 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219532588 774526442 /nfs/dbraw/zinc/52/64/42/774526442.db2.gz AULZTSYJRSWURH-COPLHBTASA-N 1 3 313.361 0.366 20 0 DCADHO N[C@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)C1CCOCC1 ZINC001219537184 774527838 /nfs/dbraw/zinc/52/78/38/774527838.db2.gz JNEUIXXRHXUYSR-WPGHFRTFSA-N 1 3 317.389 0.827 20 0 DCADHO Cc1cccn2c(CNC(=O)[C@@H](N)CCCC[NH+](C)C)nnc12 ZINC001219597607 774550468 /nfs/dbraw/zinc/55/04/68/774550468.db2.gz OCVHVAKMXXVJIZ-ZDUSSCGKSA-N 1 3 318.425 0.713 20 0 DCADHO Cn1ccc2cc(CNC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)ccc21 ZINC001219597699 774550804 /nfs/dbraw/zinc/55/08/04/774550804.db2.gz REAFHJMCVYGJIH-CRAIPNDOSA-N 1 3 312.417 0.994 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656132 774573085 /nfs/dbraw/zinc/57/30/85/774573085.db2.gz MNALTMRLUQRHNT-FPCVCCKLSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656132 774573088 /nfs/dbraw/zinc/57/30/88/774573088.db2.gz MNALTMRLUQRHNT-FPCVCCKLSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697354 774583203 /nfs/dbraw/zinc/58/32/03/774583203.db2.gz TXRPWISVLYDFFN-OAHLLOKOSA-N 1 3 319.449 0.695 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219706065 774586223 /nfs/dbraw/zinc/58/62/23/774586223.db2.gz VOPRVJOVABPQRW-QKKBWIMNSA-N 1 3 309.435 0.044 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202163892 774610009 /nfs/dbraw/zinc/61/00/09/774610009.db2.gz JSFMIIUZPCAFLD-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1csc([C@H]2CCCN2)n1 ZINC001219814823 774618863 /nfs/dbraw/zinc/61/88/63/774618863.db2.gz MUPSGFOLTQINLY-RWSFTLGLSA-N 1 3 322.434 0.533 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c1 ZINC001219847721 774627209 /nfs/dbraw/zinc/62/72/09/774627209.db2.gz QCFFRFUJVBUPHY-YHUYYLMFSA-N 1 3 319.405 0.201 20 0 DCADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])c1ccc(OC)cc1 ZINC001219975913 774659996 /nfs/dbraw/zinc/65/99/96/774659996.db2.gz ZARNSQNLSUHBEZ-KBPBESRZSA-N 1 3 323.393 0.482 20 0 DCADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001219999523 774664671 /nfs/dbraw/zinc/66/46/71/774664671.db2.gz WFKHPEDKSKAXPD-HRCADAONSA-N 1 3 302.422 0.486 20 0 DCADHO CCOC(=O)C(F)(F)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220096523 774692802 /nfs/dbraw/zinc/69/28/02/774692802.db2.gz ALQNXHWLKLDERN-JTQLQIEISA-N 1 3 319.352 0.175 20 0 DCADHO CCOC(=O)C(F)(F)CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220096523 774692805 /nfs/dbraw/zinc/69/28/05/774692805.db2.gz ALQNXHWLKLDERN-JTQLQIEISA-N 1 3 319.352 0.175 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NC1(C(F)(F)F)CCOCC1 ZINC001220157014 774713040 /nfs/dbraw/zinc/71/30/40/774713040.db2.gz UGPOXJYKZOHCNZ-QMMMGPOBSA-N 1 3 315.361 0.233 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159638 774714230 /nfs/dbraw/zinc/71/42/30/774714230.db2.gz PQNMRTGVNYCYQI-INWMFGNUSA-N 1 3 305.426 0.328 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220164215 774715834 /nfs/dbraw/zinc/71/58/34/774715834.db2.gz ZLTQOCVZOLOURC-YXPYIKCWSA-N 1 3 324.469 0.515 20 0 DCADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1[nH]nc2c1CCNC2 ZINC001220166123 774716752 /nfs/dbraw/zinc/71/67/52/774716752.db2.gz AFTFOYREVSWNIO-BZNIZROVSA-N 1 3 303.410 0.708 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CCCC1 ZINC001220217116 774736761 /nfs/dbraw/zinc/73/67/61/774736761.db2.gz LTNKTTPEESWUNR-AWEZNQCLSA-N 1 3 309.410 0.821 20 0 DCADHO O=C(N[C@H]1CCc2n[nH]cc2C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220261102 774748764 /nfs/dbraw/zinc/74/87/64/774748764.db2.gz QXYJZYVRBZKGPX-JSGCOSHPSA-N 1 3 303.410 0.257 20 0 DCADHO NC1(C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)Cc2ccccc2C1 ZINC001220317406 774769981 /nfs/dbraw/zinc/76/99/81/774769981.db2.gz YUFUEIKKIGNXIW-DOTOQJQBSA-N 1 3 315.417 0.510 20 0 DCADHO NCc1ccc2c(n1)N(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)CCC2 ZINC001220376911 774787230 /nfs/dbraw/zinc/78/72/30/774787230.db2.gz CUNMKWXHFPCZEL-IOASZLSFSA-N 1 3 301.394 0.041 20 0 DCADHO N[C@@H](C(=O)NCc1cccnc1N1CCCC1)C1CC[NH2+]CC1 ZINC001220398812 774795327 /nfs/dbraw/zinc/79/53/27/774795327.db2.gz NQMUNKNRNDZCPK-OAHLLOKOSA-N 1 3 317.437 0.625 20 0 DCADHO COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001220405539 774797415 /nfs/dbraw/zinc/79/74/15/774797415.db2.gz AOGPXDOZOAEPSW-IHRRRGAJSA-N 1 3 313.442 0.940 20 0 DCADHO O=C(NC[C@H](O)C1CCCCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220467491 774819807 /nfs/dbraw/zinc/81/98/07/774819807.db2.gz YGKINYBILICDGS-GJZGRUSLSA-N 1 3 309.454 0.918 20 0 DCADHO O=C(NC[C@H](O)C1CCCCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220467491 774819815 /nfs/dbraw/zinc/81/98/15/774819815.db2.gz YGKINYBILICDGS-GJZGRUSLSA-N 1 3 309.454 0.918 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21)N(C)C ZINC001114463132 774881937 /nfs/dbraw/zinc/88/19/37/774881937.db2.gz FKXVNDSPEMIBJQ-QXSJWSMHSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21)N(C)C ZINC001114463132 774881945 /nfs/dbraw/zinc/88/19/45/774881945.db2.gz FKXVNDSPEMIBJQ-QXSJWSMHSA-N 1 3 309.454 0.800 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1ccc(-n2cccn2)nc1 ZINC001220674064 774885661 /nfs/dbraw/zinc/88/56/61/774885661.db2.gz RXXWDFWYLAFKBS-ZDUSSCGKSA-N 1 3 302.382 0.340 20 0 DCADHO O=C(NCc1ccc2ocnc2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220679067 774886824 /nfs/dbraw/zinc/88/68/24/774886824.db2.gz SQPKERYJSBKRNI-MLGOLLRUSA-N 1 3 300.362 0.643 20 0 DCADHO C[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)CC(C)(C)CC[NH3+] ZINC001220763903 774909960 /nfs/dbraw/zinc/90/99/60/774909960.db2.gz RWYLWGZMKFNQDX-VXGBXAGGSA-N 1 3 315.462 0.280 20 0 DCADHO CCC/C=C\CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771315 774911147 /nfs/dbraw/zinc/91/11/47/774911147.db2.gz NNJBNKDAOYNLCC-MSNYOWOLSA-N 1 3 321.465 0.990 20 0 DCADHO CC[C@H](CN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1)OC ZINC001220809326 774921515 /nfs/dbraw/zinc/92/15/15/774921515.db2.gz SSLKZHNKNDLBBO-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO COc1cc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)cc(OC)c1O ZINC001220812973 774922766 /nfs/dbraw/zinc/92/27/66/774922766.db2.gz WHKIUTPOPPGTLP-AWEZNQCLSA-N 1 3 323.393 0.353 20 0 DCADHO CCOC(=O)C1(NC(=O)[C@H]2NCCc3cc(F)ccc32)C[NH2+]C1 ZINC001220851142 774935564 /nfs/dbraw/zinc/93/55/64/774935564.db2.gz JHHJCBBPIMWVMO-ZDUSSCGKSA-N 1 3 321.352 0.034 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)NCc1ccccc1C[NH3+] ZINC001220855094 774937188 /nfs/dbraw/zinc/93/71/88/774937188.db2.gz LQDPEIYLPQCXLT-AWEZNQCLSA-N 1 3 306.410 0.251 20 0 DCADHO [NH3+][C@H]1CC[C@@H]1C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220898469 774947042 /nfs/dbraw/zinc/94/70/42/774947042.db2.gz KWPRYTOXSPGGJX-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO O=C(NCC1(c2ccc(F)cn2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221175033 775017970 /nfs/dbraw/zinc/01/79/70/775017970.db2.gz XUMXMWAIYYFXJQ-GFCCVEGCSA-N 1 3 304.369 0.178 20 0 DCADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001221394724 775084301 /nfs/dbraw/zinc/08/43/01/775084301.db2.gz FTBDIBZRRYVOJN-QLFBSQMISA-N 1 3 324.469 0.086 20 0 DCADHO C[NH+]1CCC(CO)(NC(=O)[C@H]2NCCC[C@H]2C(F)(F)F)CC1 ZINC001221402650 775088357 /nfs/dbraw/zinc/08/83/57/775088357.db2.gz KKTZPAXBUUZIGA-MNOVXSKESA-N 1 3 323.359 0.490 20 0 DCADHO COc1cccc([C@H](C[NH3+])NC(=O)c2[nH]nc3c2CNCC3)c1 ZINC001221405812 775090687 /nfs/dbraw/zinc/09/06/87/775090687.db2.gz ONNOHWWJVAUCMD-AWEZNQCLSA-N 1 3 315.377 0.494 20 0 DCADHO COc1cccc([C@@H](C[NH3+])NC(=O)c2[nH]nc3c2CNCC3)c1 ZINC001221405813 775090727 /nfs/dbraw/zinc/09/07/27/775090727.db2.gz ONNOHWWJVAUCMD-CQSZACIVSA-N 1 3 315.377 0.494 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221414402 775093271 /nfs/dbraw/zinc/09/32/71/775093271.db2.gz PFMWMRJWNYWOEG-LSDHHAIUSA-N 1 3 310.442 0.124 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560987 775150164 /nfs/dbraw/zinc/15/01/64/775150164.db2.gz SKTOKOUZNLXPEB-KLHDSHLOSA-N 1 3 309.454 0.896 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560987 775150168 /nfs/dbraw/zinc/15/01/68/775150168.db2.gz SKTOKOUZNLXPEB-KLHDSHLOSA-N 1 3 309.454 0.896 20 0 DCADHO c1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc(-c2nnn[n-]2)c1 ZINC001222090461 775267054 /nfs/dbraw/zinc/26/70/54/775267054.db2.gz CNKLBJKGGJJHHR-UHFFFAOYSA-N 1 3 313.409 0.394 20 0 DCADHO c1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc(-c2nnn[n-]2)c1 ZINC001222090461 775267062 /nfs/dbraw/zinc/26/70/62/775267062.db2.gz CNKLBJKGGJJHHR-UHFFFAOYSA-N 1 3 313.409 0.394 20 0 DCADHO c1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc(-c2nn[n-]n2)c1 ZINC001222090461 775267068 /nfs/dbraw/zinc/26/70/68/775267068.db2.gz CNKLBJKGGJJHHR-UHFFFAOYSA-N 1 3 313.409 0.394 20 0 DCADHO c1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc(-c2nn[n-]n2)c1 ZINC001222090461 775267072 /nfs/dbraw/zinc/26/70/72/775267072.db2.gz CNKLBJKGGJJHHR-UHFFFAOYSA-N 1 3 313.409 0.394 20 0 DCADHO c1cc2c(cc1CN1CCOC[C@]3(CNCCO3)C1)CC[NH2+]C2 ZINC001222186269 775294352 /nfs/dbraw/zinc/29/43/52/775294352.db2.gz BWSRMRGMSUIKCC-SFHVURJKSA-N 1 3 317.433 0.523 20 0 DCADHO CN1CCC[C@H](N2CCC(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001224337659 775561116 /nfs/dbraw/zinc/56/11/16/775561116.db2.gz LUCNIBAOTYUOIE-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC1CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001224583723 775585355 /nfs/dbraw/zinc/58/53/55/775585355.db2.gz ZPMVOWUNZNOONI-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)NCC1CC[NH+](CCOCCO)CC1)N(C)C ZINC001224583425 775585382 /nfs/dbraw/zinc/58/53/82/775585382.db2.gz SYAGQKIDJKHIDV-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO CCN(CC)CC(=O)N1CCC([N@H+](CCO)CCCF)CC1 ZINC001098506001 775643518 /nfs/dbraw/zinc/64/35/18/775643518.db2.gz JESGYFYGYNDOQV-UHFFFAOYSA-N 1 3 317.449 0.973 20 0 DCADHO CCN(CC)CC(=O)N1CCC([N@@H+](CCO)CCCF)CC1 ZINC001098506001 775643523 /nfs/dbraw/zinc/64/35/23/775643523.db2.gz JESGYFYGYNDOQV-UHFFFAOYSA-N 1 3 317.449 0.973 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226775607 775876636 /nfs/dbraw/zinc/87/66/36/775876636.db2.gz UCIQWWMIMHCFKQ-NFAWXSAZSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1)C(N)=O ZINC001226817194 775882019 /nfs/dbraw/zinc/88/20/19/775882019.db2.gz ASQBMIOVNWCYSF-MRVWCRGKSA-N 1 3 310.442 0.362 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001228603160 776101988 /nfs/dbraw/zinc/10/19/88/776101988.db2.gz OIEHMNAESFZICI-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC ZINC001229232191 776171888 /nfs/dbraw/zinc/17/18/88/776171888.db2.gz YTNIAVSIEXTJLV-MGPQQGTHSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001114832635 776200888 /nfs/dbraw/zinc/20/08/88/776200888.db2.gz VKFQLOIZFSDCHF-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001114832635 776200894 /nfs/dbraw/zinc/20/08/94/776200894.db2.gz VKFQLOIZFSDCHF-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001229860242 776231444 /nfs/dbraw/zinc/23/14/44/776231444.db2.gz OHCBHSRRZYDXQN-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001229860652 776231892 /nfs/dbraw/zinc/23/18/92/776231892.db2.gz YAXQCHCGCHTFOO-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356215 777223415 /nfs/dbraw/zinc/22/34/15/777223415.db2.gz VBNMQJIUGQIRJT-HOCLYGCPSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356215 777223425 /nfs/dbraw/zinc/22/34/25/777223425.db2.gz VBNMQJIUGQIRJT-HOCLYGCPSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCCO)C3)C2)C1 ZINC001041678579 777426359 /nfs/dbraw/zinc/42/63/59/777426359.db2.gz HUOJOFPNFXWOMZ-RDJZCZTQSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCCO)C3)C2)C1 ZINC001041678579 777426362 /nfs/dbraw/zinc/42/63/62/777426362.db2.gz HUOJOFPNFXWOMZ-RDJZCZTQSA-N 1 3 309.454 0.635 20 0 DCADHO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001317573836 945067867 /nfs/dbraw/zinc/06/78/67/945067867.db2.gz SWEJOIQVZRLPEW-AWEZNQCLSA-N 1 3 306.410 0.732 20 0 DCADHO CC[NH+]1CCC(CN2C[C@@H]3C(C(=O)N(C)C)=NO[C@@H]3C2)CC1 ZINC001278139360 945151260 /nfs/dbraw/zinc/15/12/60/945151260.db2.gz NIRBAJXIEBEWMF-UONOGXRCSA-N 1 3 308.426 0.493 20 0 DCADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)CC[NH+]1CCCCC1 ZINC001317669978 945158409 /nfs/dbraw/zinc/15/84/09/945158409.db2.gz ODPQICCCDNAHGR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001278333913 945221673 /nfs/dbraw/zinc/22/16/73/945221673.db2.gz HIZVCKYDDAZJNF-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CCNCC(=O)N1CCCCC1)C(=O)CCC[NH+](C)C ZINC001266820101 939244896 /nfs/dbraw/zinc/24/48/96/939244896.db2.gz RQAQHRVBTYACGQ-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO Cc1nn(CCO)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC001349317397 939288019 /nfs/dbraw/zinc/28/80/19/939288019.db2.gz BBCPXRUYAJIVTQ-UHFFFAOYSA-N 1 3 310.442 0.822 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001481214941 939641620 /nfs/dbraw/zinc/64/16/20/939641620.db2.gz CPXFDQSTAGIIHX-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001408845396 939693605 /nfs/dbraw/zinc/69/36/05/939693605.db2.gz WXMZLMCIFQXEMX-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001408847423 939694986 /nfs/dbraw/zinc/69/49/86/939694986.db2.gz RVKNPBQUHNRAJW-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001408847423 939694989 /nfs/dbraw/zinc/69/49/89/939694989.db2.gz RVKNPBQUHNRAJW-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCOCC(F)F ZINC001267964907 939715059 /nfs/dbraw/zinc/71/50/59/939715059.db2.gz LWZNZNXHOFOHLX-GFCCVEGCSA-N 1 3 316.352 0.815 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001481319405 939746136 /nfs/dbraw/zinc/74/61/36/939746136.db2.gz CTLNMCFNYSUCIN-NSHDSACASA-N 1 3 313.364 0.688 20 0 DCADHO C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481339112 939753810 /nfs/dbraw/zinc/75/38/10/939753810.db2.gz AOSMTACRLNZSPA-ZDUSSCGKSA-N 1 3 322.457 0.484 20 0 DCADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNC2COCCOC2)C1 ZINC001462087328 1013049640 /nfs/dbraw/zinc/04/96/40/1013049640.db2.gz SRHRFTPOQJFRIY-QGZVFWFLSA-N 1 3 306.406 0.758 20 0 DCADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNC2COCCOC2)C1 ZINC001462087328 1013049658 /nfs/dbraw/zinc/04/96/58/1013049658.db2.gz SRHRFTPOQJFRIY-QGZVFWFLSA-N 1 3 306.406 0.758 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cnn(C)c1 ZINC001481846269 940158089 /nfs/dbraw/zinc/15/80/89/940158089.db2.gz XFUKVKOXDXVEHH-CQSZACIVSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001481992119 940202031 /nfs/dbraw/zinc/20/20/31/940202031.db2.gz UYNPSKQEKZBFOA-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001482008509 940205292 /nfs/dbraw/zinc/20/52/92/940205292.db2.gz VYPYKKATHQAVPE-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO O[C@@H](CNC[C@@H]1CCC[NH2+]C1)COCC(F)(F)C(F)F ZINC001245984682 945304365 /nfs/dbraw/zinc/30/43/65/945304365.db2.gz XKNPUQNBPSHZHD-ZJUUUORDSA-N 1 3 302.312 0.854 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001268546158 940227994 /nfs/dbraw/zinc/22/79/94/940227994.db2.gz BSMODANSTQSMAK-LRPXVYOUSA-N 1 3 322.453 0.401 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001268546158 940227998 /nfs/dbraw/zinc/22/79/98/940227998.db2.gz BSMODANSTQSMAK-LRPXVYOUSA-N 1 3 322.453 0.401 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C(=O)CC[NH+](C)C)C1CC1 ZINC001408931790 940274462 /nfs/dbraw/zinc/27/44/62/940274462.db2.gz VDPAYCPKXBRNNU-UHFFFAOYSA-N 1 3 321.425 0.320 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+][C@@H](C)C(N)=O ZINC001482145408 940283051 /nfs/dbraw/zinc/28/30/51/940283051.db2.gz YRRRTTMDHKCUBN-NEPJUHHUSA-N 1 3 300.447 0.180 20 0 DCADHO COc1nccc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001482169860 940291772 /nfs/dbraw/zinc/29/17/72/940291772.db2.gz WXSCDEPOICKNOY-QWHCGFSZSA-N 1 3 321.425 0.279 20 0 DCADHO COc1nccc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001482169860 940291773 /nfs/dbraw/zinc/29/17/73/940291773.db2.gz WXSCDEPOICKNOY-QWHCGFSZSA-N 1 3 321.425 0.279 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cccn1 ZINC001268647701 940316999 /nfs/dbraw/zinc/31/69/99/940316999.db2.gz DBHPHOXRMUVUHO-CABCVRRESA-N 1 3 307.442 0.852 20 0 DCADHO COC(=O)[C@@H](O)CN[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246003008 945311344 /nfs/dbraw/zinc/31/13/44/945311344.db2.gz WNIWUQXANMKIAQ-LSDHHAIUSA-N 1 3 310.369 0.990 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC001246004374 945312804 /nfs/dbraw/zinc/31/28/04/945312804.db2.gz CIPJITLHDVIWQL-JSGCOSHPSA-N 1 3 313.373 0.138 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)CC[N@@H+]1C ZINC001482219706 940711675 /nfs/dbraw/zinc/71/16/75/940711675.db2.gz NQAIKIBPXNDSMZ-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)CC[N@H+]1C ZINC001482219706 940711677 /nfs/dbraw/zinc/71/16/77/940711677.db2.gz NQAIKIBPXNDSMZ-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO Cn1cc(CC[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cn1 ZINC001270112524 940837237 /nfs/dbraw/zinc/83/72/37/940837237.db2.gz GYPCYNLZVSOCHK-JKSUJKDBSA-N 1 3 319.453 0.637 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC001246199741 945361595 /nfs/dbraw/zinc/36/15/95/945361595.db2.gz ZZLLDGFETSQZHY-OLZOCXBDSA-N 1 3 320.455 0.332 20 0 DCADHO CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2CC1 ZINC001270671630 940962455 /nfs/dbraw/zinc/96/24/55/940962455.db2.gz BEGKMJCSUNKADC-BBWFWOEESA-N 1 3 322.497 0.813 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2CC1 ZINC001270671630 940962456 /nfs/dbraw/zinc/96/24/56/940962456.db2.gz BEGKMJCSUNKADC-BBWFWOEESA-N 1 3 322.497 0.813 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOCC2CC2)C1 ZINC001318444694 945364943 /nfs/dbraw/zinc/36/49/43/945364943.db2.gz FNWNJLPDMXFYCM-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOCC2CC2)C1 ZINC001318444694 945364952 /nfs/dbraw/zinc/36/49/52/945364952.db2.gz FNWNJLPDMXFYCM-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001482366116 941023634 /nfs/dbraw/zinc/02/36/34/941023634.db2.gz NZYHCMILQVOGAJ-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCn1cncn1 ZINC001482367945 941024219 /nfs/dbraw/zinc/02/42/19/941024219.db2.gz CJJPZCRXWGRYJR-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001271039317 941246188 /nfs/dbraw/zinc/24/61/88/941246188.db2.gz JHDRZYAYTHXBDH-HNNXBMFYSA-N 1 3 322.453 0.269 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCOC(C)C)C1)N(C)C ZINC001502088081 941268762 /nfs/dbraw/zinc/26/87/62/941268762.db2.gz VYQSLSJJLRNDID-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO CC[C@@H](F)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001424238304 941589360 /nfs/dbraw/zinc/58/93/60/941589360.db2.gz LCCCIWIKIIMHBK-KGLIPLIRSA-N 1 3 303.422 0.892 20 0 DCADHO COc1cncc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001482899365 941701326 /nfs/dbraw/zinc/70/13/26/941701326.db2.gz OQBYWZWDQAXXGM-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001482899365 941701333 /nfs/dbraw/zinc/70/13/33/941701333.db2.gz OQBYWZWDQAXXGM-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892512 941702491 /nfs/dbraw/zinc/70/24/91/941702491.db2.gz TVDDGTRRQBJRPO-NSHDSACASA-N 1 3 309.439 0.618 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892509 941702716 /nfs/dbraw/zinc/70/27/16/941702716.db2.gz TVDDGTRRQBJRPO-LLVKDONJSA-N 1 3 309.439 0.618 20 0 DCADHO CN(CCOCC(F)F)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272172168 941764495 /nfs/dbraw/zinc/76/44/95/941764495.db2.gz LFSOIRMYDRPTFL-LBPRGKRZSA-N 1 3 307.385 0.610 20 0 DCADHO CN(CCOCC(F)F)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272172168 941764497 /nfs/dbraw/zinc/76/44/97/941764497.db2.gz LFSOIRMYDRPTFL-LBPRGKRZSA-N 1 3 307.385 0.610 20 0 DCADHO C[NH+]1CCC(CC(=O)NC/C=C\CN[C@@H]2CCCNC2=O)CC1 ZINC001483067659 941824554 /nfs/dbraw/zinc/82/45/54/941824554.db2.gz ARKUCUQCTVENRR-MPNWYJEXSA-N 1 3 322.453 0.259 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483128966 941879596 /nfs/dbraw/zinc/87/95/96/941879596.db2.gz NYLXSFANIXZKOY-MLGOLLRUSA-N 1 3 319.453 0.665 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272243600 941881569 /nfs/dbraw/zinc/88/15/69/941881569.db2.gz URLCGCUDXIYYHY-SOUVJXGZSA-N 1 3 317.449 0.875 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272243600 941881574 /nfs/dbraw/zinc/88/15/74/941881574.db2.gz URLCGCUDXIYYHY-SOUVJXGZSA-N 1 3 317.449 0.875 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483153921 941913792 /nfs/dbraw/zinc/91/37/92/941913792.db2.gz ONZORGORMHURGE-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483153921 941913793 /nfs/dbraw/zinc/91/37/93/941913793.db2.gz ONZORGORMHURGE-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CNCC(=O)N1CCC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001483163012 941917586 /nfs/dbraw/zinc/91/75/86/941917586.db2.gz UJKHDYSKVMVUAM-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CN(C)CC(C)(C)C ZINC001483167395 941919407 /nfs/dbraw/zinc/91/94/07/941919407.db2.gz ZSZIJCOKQWGNAR-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001483183853 941927357 /nfs/dbraw/zinc/92/73/57/941927357.db2.gz FYPDGRHLXXKVMF-GFCCVEGCSA-N 1 3 320.441 0.618 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C[C@H]1CCc2ncnn21 ZINC001409628290 942101858 /nfs/dbraw/zinc/10/18/58/942101858.db2.gz OBSIFKRBAOUPPO-QWHCGFSZSA-N 1 3 308.430 0.154 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001412854480 942107551 /nfs/dbraw/zinc/10/75/51/942107551.db2.gz KBXMMCSMVPIWAW-LSDHHAIUSA-N 1 3 318.421 0.481 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001483264049 942219288 /nfs/dbraw/zinc/21/92/88/942219288.db2.gz PNQUWLPHMDNAIC-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C(C)C ZINC001483296917 942246702 /nfs/dbraw/zinc/24/67/02/942246702.db2.gz TWFCLWRLZVEMEL-ZDUSSCGKSA-N 1 3 300.447 0.288 20 0 DCADHO COc1ccnc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001483508854 942395239 /nfs/dbraw/zinc/39/52/39/942395239.db2.gz CMFHFLJEOKMEAV-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ccnc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001483508854 942395242 /nfs/dbraw/zinc/39/52/42/942395242.db2.gz CMFHFLJEOKMEAV-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082531 942465388 /nfs/dbraw/zinc/46/53/88/942465388.db2.gz UDIXSRUCHUGHGS-ZIAGYGMSSA-N 1 3 312.458 0.609 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082531 942465391 /nfs/dbraw/zinc/46/53/91/942465391.db2.gz UDIXSRUCHUGHGS-ZIAGYGMSSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082481 942465411 /nfs/dbraw/zinc/46/54/11/942465411.db2.gz RKRXKECSDHOBQF-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082481 942465415 /nfs/dbraw/zinc/46/54/15/942465415.db2.gz RKRXKECSDHOBQF-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC/C=C/Cl)CC[N@@H+]1C ZINC001272426933 942747851 /nfs/dbraw/zinc/74/78/51/942747851.db2.gz YDEJPNYSJDMHRI-OYRJTWRESA-N 1 3 303.834 0.536 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC/C=C/Cl)CC[N@H+]1C ZINC001272426933 942747856 /nfs/dbraw/zinc/74/78/56/942747856.db2.gz YDEJPNYSJDMHRI-OYRJTWRESA-N 1 3 303.834 0.536 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3cn[nH]c3)C2)C1=O ZINC001272551400 942822132 /nfs/dbraw/zinc/82/21/32/942822132.db2.gz WJHSLOSEULDCAL-INIZCTEOSA-N 1 3 319.409 0.312 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCN3CCCC3=O)CC2)CCC1 ZINC001483740389 942838772 /nfs/dbraw/zinc/83/87/72/942838772.db2.gz DLZSKXXZHSFIPB-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(CCn2cccn2)C1 ZINC001484065497 943131059 /nfs/dbraw/zinc/13/10/59/943131059.db2.gz WMVMRYMCBQUUPS-INIZCTEOSA-N 1 3 307.442 0.806 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(CCn2cccn2)C1 ZINC001484065497 943131065 /nfs/dbraw/zinc/13/10/65/943131065.db2.gz WMVMRYMCBQUUPS-INIZCTEOSA-N 1 3 307.442 0.806 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338117 943327100 /nfs/dbraw/zinc/32/71/00/943327100.db2.gz FZJUUYQCIFFNRM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CO[C@@H](C)CN1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001484444294 943391154 /nfs/dbraw/zinc/39/11/54/943391154.db2.gz SGNYDKVMUJXNMX-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001484567574 943454260 /nfs/dbraw/zinc/45/42/60/943454260.db2.gz OIMZHZXHNZYYNO-RBSFLKMASA-N 1 3 324.469 0.609 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCn3cncn3)CCC2)CCC1 ZINC001484637513 943491905 /nfs/dbraw/zinc/49/19/05/943491905.db2.gz HAVDWXFIRCPIKK-UHFFFAOYSA-N 1 3 320.441 0.391 20 0 DCADHO CN(C(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1)C1CC1 ZINC001484662710 943498813 /nfs/dbraw/zinc/49/88/13/943498813.db2.gz RWHCPYRNIZVHEE-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1)C1CC1 ZINC001484662710 943498817 /nfs/dbraw/zinc/49/88/17/943498817.db2.gz RWHCPYRNIZVHEE-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001490897685 943585902 /nfs/dbraw/zinc/58/59/02/943585902.db2.gz NVEOPSFHTGMOOK-JOCQHMNTSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)(C(=O)N1CCC(O)(CNCCF)CC1)[NH+]1CCCC1 ZINC001484958133 943637991 /nfs/dbraw/zinc/63/79/91/943637991.db2.gz JANMSQUZQIJQGA-UHFFFAOYSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)NC1CC1 ZINC001491055086 943728169 /nfs/dbraw/zinc/72/81/69/943728169.db2.gz KFKABMQDKIOTIQ-MYZSUADSSA-N 1 3 322.453 0.232 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001491080018 943738189 /nfs/dbraw/zinc/73/81/89/943738189.db2.gz IDKBIQLFIIVWCN-GASCZTMLSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H](C)NCC(N)=O ZINC001485188685 943745651 /nfs/dbraw/zinc/74/56/51/943745651.db2.gz DRMRJXFUQIYGKM-QWHCGFSZSA-N 1 3 320.437 0.372 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001491322371 943915187 /nfs/dbraw/zinc/91/51/87/943915187.db2.gz KUTQKFBGWWOMMB-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001491322371 943915191 /nfs/dbraw/zinc/91/51/91/943915191.db2.gz KUTQKFBGWWOMMB-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H](C)C(N)=O)CCCCC1)N(C)C ZINC001485449930 943944226 /nfs/dbraw/zinc/94/42/26/943944226.db2.gz WXQWHIATRCJHTI-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CN(CC[NH2+]C[C@@H]1C[C@]12CCOC2)C(=O)CN(C)C1CCC1 ZINC001493580470 944084176 /nfs/dbraw/zinc/08/41/76/944084176.db2.gz RYPFFJZNZNFLPR-YOEHRIQHSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N1CCCC1 ZINC001491550144 944116496 /nfs/dbraw/zinc/11/64/96/944116496.db2.gz WHVOLXSBRYSTSZ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203047088 944144090 /nfs/dbraw/zinc/14/40/90/944144090.db2.gz SNHVVNXDIGGFRO-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cnc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)c1 ZINC001272731404 944167769 /nfs/dbraw/zinc/16/77/69/944167769.db2.gz HXYAUCOLZHATDY-INIZCTEOSA-N 1 3 305.426 0.406 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001485825320 944200541 /nfs/dbraw/zinc/20/05/41/944200541.db2.gz ARJWDYJSPUPPJD-WFASDCNBSA-N 1 3 306.410 0.815 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)C1=O ZINC001272795211 944230827 /nfs/dbraw/zinc/23/08/27/944230827.db2.gz ZKFUTXFWOVLNEA-KRWDZBQOSA-N 1 3 318.421 0.773 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc[nH]c3=O)C2)C1=O ZINC001272795211 944230833 /nfs/dbraw/zinc/23/08/33/944230833.db2.gz ZKFUTXFWOVLNEA-KRWDZBQOSA-N 1 3 318.421 0.773 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485955147 944412580 /nfs/dbraw/zinc/41/25/80/944412580.db2.gz GETRJIVKAHDVFO-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485955147 944412587 /nfs/dbraw/zinc/41/25/87/944412587.db2.gz GETRJIVKAHDVFO-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)N[C@@H]2CCNC2=O)CC1 ZINC001485943481 944424441 /nfs/dbraw/zinc/42/44/41/944424441.db2.gz XDGZRYHBTQPYAS-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001486053204 944536569 /nfs/dbraw/zinc/53/65/69/944536569.db2.gz WDTZIZAHJXCQLQ-GOEBONIOSA-N 1 3 317.433 0.910 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001486120497 944577295 /nfs/dbraw/zinc/57/72/95/944577295.db2.gz BSTBYXLGELWDJM-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001486120495 944577876 /nfs/dbraw/zinc/57/78/76/944577876.db2.gz BSTBYXLGELWDJM-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C)cn1 ZINC001486424912 944870820 /nfs/dbraw/zinc/87/08/20/944870820.db2.gz XSZQPDGYLHJUNG-HUUCEWRRSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C)cn1 ZINC001486424912 944870828 /nfs/dbraw/zinc/87/08/28/944870828.db2.gz XSZQPDGYLHJUNG-HUUCEWRRSA-N 1 3 321.469 0.992 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCn3ccnc3)C[C@H]2CC1 ZINC001277545009 944872578 /nfs/dbraw/zinc/87/25/78/944872578.db2.gz XXEFIKUPJDUWFW-IYBDPMFKSA-N 1 3 319.453 0.615 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@H]2CC1 ZINC001277545009 944872582 /nfs/dbraw/zinc/87/25/82/944872582.db2.gz XXEFIKUPJDUWFW-IYBDPMFKSA-N 1 3 319.453 0.615 20 0 DCADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001486466968 944904372 /nfs/dbraw/zinc/90/43/72/944904372.db2.gz NWIRZLAAFLCCHN-IYXRBSQSSA-N 1 3 324.469 0.526 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001317297340 944905595 /nfs/dbraw/zinc/90/55/95/944905595.db2.gz UUBPMEROEJNNSK-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001486610690 944999269 /nfs/dbraw/zinc/99/92/69/944999269.db2.gz UITXQQKPEVCZOY-SHARSMKWSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001486610690 944999275 /nfs/dbraw/zinc/99/92/75/944999275.db2.gz UITXQQKPEVCZOY-SHARSMKWSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C3CCCC3)C[C@@H]12 ZINC001277959696 945062565 /nfs/dbraw/zinc/06/25/65/945062565.db2.gz BHFIWZORBHGJRL-BPUTZDHNSA-N 1 3 321.465 0.822 20 0 DCADHO C[C@H](O)CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C3CCCC3)C[C@@H]12 ZINC001277959696 945062575 /nfs/dbraw/zinc/06/25/75/945062575.db2.gz BHFIWZORBHGJRL-BPUTZDHNSA-N 1 3 321.465 0.822 20 0 DCADHO COC(=O)[C@H](CCC[NH3+])NC1CCN(Cc2ccncc2)CC1 ZINC001246401747 945404738 /nfs/dbraw/zinc/40/47/38/945404738.db2.gz OPPSNIJQUUORTF-INIZCTEOSA-N 1 3 320.437 0.916 20 0 DCADHO COC(=O)c1ccc(C[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O)cc1 ZINC001246407265 945404789 /nfs/dbraw/zinc/40/47/89/945404789.db2.gz XYTFRGDOQAFZTL-WFASDCNBSA-N 1 3 321.421 0.977 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001486936085 945415363 /nfs/dbraw/zinc/41/53/63/945415363.db2.gz UXLJAHSKQCUXOD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001486936085 945415368 /nfs/dbraw/zinc/41/53/68/945415368.db2.gz UXLJAHSKQCUXOD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C)OC(=O)CN1CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246580280 945434524 /nfs/dbraw/zinc/43/45/24/945434524.db2.gz LQCNSVIZIOWVDK-GXTWGEPZSA-N 1 3 313.442 0.044 20 0 DCADHO CC(C)(C)OC(=O)CN1CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246580280 945434535 /nfs/dbraw/zinc/43/45/35/945434535.db2.gz LQCNSVIZIOWVDK-GXTWGEPZSA-N 1 3 313.442 0.044 20 0 DCADHO NC[C@H]1C[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@H]1O ZINC001246578050 945435824 /nfs/dbraw/zinc/43/58/24/945435824.db2.gz FJNRVZJFSHMEIV-GVDBMIGSSA-N 1 3 317.433 0.933 20 0 DCADHO NC[C@H]1C[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@H]1O ZINC001246578050 945435829 /nfs/dbraw/zinc/43/58/29/945435829.db2.gz FJNRVZJFSHMEIV-GVDBMIGSSA-N 1 3 317.433 0.933 20 0 DCADHO O=C([C@@H]1COC[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]21)N1CCCCO1 ZINC001246701388 945465268 /nfs/dbraw/zinc/46/52/68/945465268.db2.gz MFBINPYMDYRQIX-KLHDSHLOSA-N 1 3 323.437 0.487 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246707043 945466863 /nfs/dbraw/zinc/46/68/63/945466863.db2.gz YNXKSVAVTQYVBO-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246707043 945466866 /nfs/dbraw/zinc/46/68/66/945466866.db2.gz YNXKSVAVTQYVBO-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1C[C@@H](N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CC[NH2+]1 ZINC001246707043 945466868 /nfs/dbraw/zinc/46/68/68/945466868.db2.gz YNXKSVAVTQYVBO-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO O=C(c1nn(C2CC[NH2+]CC2)c2c1CNCC2)N1CC=CC1 ZINC001246709180 945467311 /nfs/dbraw/zinc/46/73/11/945467311.db2.gz SIMSBXXZJRJJOQ-UHFFFAOYSA-N 1 3 301.394 0.465 20 0 DCADHO O=C([C@H]1COC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21)N1CCCO1 ZINC001246746647 945481394 /nfs/dbraw/zinc/48/13/94/945481394.db2.gz SRCSIWMEKOJAMI-YUELXQCFSA-N 1 3 309.410 0.097 20 0 DCADHO O=C([C@H]1COC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21)N1CCCO1 ZINC001246746647 945481398 /nfs/dbraw/zinc/48/13/98/945481398.db2.gz SRCSIWMEKOJAMI-YUELXQCFSA-N 1 3 309.410 0.097 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CCN1 ZINC001246805495 945493434 /nfs/dbraw/zinc/49/34/34/945493434.db2.gz NSJXOGBMVFICDA-XPCVCDNBSA-N 1 3 303.410 0.455 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CCN1 ZINC001246805495 945493447 /nfs/dbraw/zinc/49/34/47/945493447.db2.gz NSJXOGBMVFICDA-XPCVCDNBSA-N 1 3 303.410 0.455 20 0 DCADHO Cc1ccnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246834692 945502546 /nfs/dbraw/zinc/50/25/46/945502546.db2.gz IVCRIDVLLFWROY-HNNXBMFYSA-N 1 3 301.438 0.606 20 0 DCADHO O=C1[C@H]2C[N@@H+]([C@H]3CCCNC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246855918 945503112 /nfs/dbraw/zinc/50/31/12/945503112.db2.gz XYFJTKWYTDXLCM-HRCADAONSA-N 1 3 313.401 0.855 20 0 DCADHO O=C1[C@H]2C[N@H+]([C@H]3CCCNC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246855918 945503120 /nfs/dbraw/zinc/50/31/20/945503120.db2.gz XYFJTKWYTDXLCM-HRCADAONSA-N 1 3 313.401 0.855 20 0 DCADHO COC(=O)c1cccc2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246903437 945515037 /nfs/dbraw/zinc/51/50/37/945515037.db2.gz XRGBVJHSQBVVBO-AWEZNQCLSA-N 1 3 315.417 0.925 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001246903611 945515329 /nfs/dbraw/zinc/51/53/29/945515329.db2.gz KEXRFCIFVPLXJX-OAGGEKHMSA-N 1 3 303.406 0.836 20 0 DCADHO COC(=O)[C@@H]1C[N@@H+](C2CCC(N3CCOCC3)CC2)C[C@@H]1N ZINC001246929082 945519332 /nfs/dbraw/zinc/51/93/32/945519332.db2.gz CGRDRVXRVSSVBS-CVSAEHQPSA-N 1 3 311.426 0.062 20 0 DCADHO COC(=O)[C@@H]1C[N@H+](C2CCC(N3CCOCC3)CC2)C[C@@H]1N ZINC001246929082 945519338 /nfs/dbraw/zinc/51/93/38/945519338.db2.gz CGRDRVXRVSSVBS-CVSAEHQPSA-N 1 3 311.426 0.062 20 0 DCADHO Cc1ccccc1OC[C@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001251736622 945777063 /nfs/dbraw/zinc/77/70/63/945777063.db2.gz WMEVKUDQCUMMNI-QGZVFWFLSA-N 1 3 321.465 0.962 20 0 DCADHO CCNC(=O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001320792675 946020230 /nfs/dbraw/zinc/02/02/30/946020230.db2.gz FJINFPZOFUCKLW-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410228365 946062906 /nfs/dbraw/zinc/06/29/06/946062906.db2.gz ZXNYRFRWLNNBFY-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410228365 946062917 /nfs/dbraw/zinc/06/29/17/946062917.db2.gz ZXNYRFRWLNNBFY-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[NH+](CC)C[C@@H](O)CNc1cc(N2CCOCC2)nc(C)n1 ZINC001253178092 946085529 /nfs/dbraw/zinc/08/55/29/946085529.db2.gz XMANRJBGZLDLCG-AWEZNQCLSA-N 1 3 323.441 0.736 20 0 DCADHO CCOC(=O)CN1CCC(NC[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253213116 946096210 /nfs/dbraw/zinc/09/62/10/946096210.db2.gz LFJIACKZXLIDRY-OAHLLOKOSA-N 1 3 315.458 0.306 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001410269927 946120603 /nfs/dbraw/zinc/12/06/03/946120603.db2.gz SOPDSFBZVSPEFQ-VXGBXAGGSA-N 1 3 309.414 0.255 20 0 DCADHO OC[C@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC001254033910 946223180 /nfs/dbraw/zinc/22/31/80/946223180.db2.gz AIMWLMHRXZUOEG-SJORKVTESA-N 1 3 320.433 0.299 20 0 DCADHO OC[C@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC001254033910 946223188 /nfs/dbraw/zinc/22/31/88/946223188.db2.gz AIMWLMHRXZUOEG-SJORKVTESA-N 1 3 320.433 0.299 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001410451264 946397022 /nfs/dbraw/zinc/39/70/22/946397022.db2.gz WTUYTFROQUFEGD-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO COCCOCCOCCOCCN[C@H]1CCC[N@H+](C)CC1 ZINC001254507207 946403003 /nfs/dbraw/zinc/40/30/03/946403003.db2.gz JTGGCCJQGPRROY-INIZCTEOSA-N 1 3 318.458 0.757 20 0 DCADHO COCCOCCOCCOCCN[C@H]1CCC[N@@H+](C)CC1 ZINC001254507207 946403008 /nfs/dbraw/zinc/40/30/08/946403008.db2.gz JTGGCCJQGPRROY-INIZCTEOSA-N 1 3 318.458 0.757 20 0 DCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC[C@@H](O)C[NH3+])CS2 ZINC001254682201 946420521 /nfs/dbraw/zinc/42/05/21/946420521.db2.gz XKQDSRACUMMUBV-QWRGUYRKSA-N 1 3 317.455 0.391 20 0 DCADHO OC1CCN(CC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681741 946652944 /nfs/dbraw/zinc/65/29/44/946652944.db2.gz AXECWZZMBMHYOV-UHFFFAOYSA-N 1 3 311.470 0.676 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001322567948 946726842 /nfs/dbraw/zinc/72/68/42/946726842.db2.gz ATPYCTQYHUMDGF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001410737638 946861639 /nfs/dbraw/zinc/86/16/39/946861639.db2.gz HACHUAZOALTKKI-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001410764651 946908027 /nfs/dbraw/zinc/90/80/27/946908027.db2.gz MGNLAYBXZLZGEN-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001410764651 946908037 /nfs/dbraw/zinc/90/80/37/946908037.db2.gz MGNLAYBXZLZGEN-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)CN1C(=O)CN1CCCC1 ZINC001410900320 947106203 /nfs/dbraw/zinc/10/62/03/947106203.db2.gz ZXRKTSGFYPUUJX-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C)C(N)=O ZINC001410978760 947188453 /nfs/dbraw/zinc/18/84/53/947188453.db2.gz IMZAKDPFJPGYBJ-QWHCGFSZSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)C(C)(C)C1 ZINC001411022291 947243504 /nfs/dbraw/zinc/24/35/04/947243504.db2.gz QLAXTIKKYJKVOH-AWEZNQCLSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)C(C)(C)C1 ZINC001411091525 947319343 /nfs/dbraw/zinc/31/93/43/947319343.db2.gz HTMQXMQDMZMBGZ-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001411120319 947354033 /nfs/dbraw/zinc/35/40/33/947354033.db2.gz DXHGNWVLJSFKAP-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C(C)(C)C ZINC001411212318 947493512 /nfs/dbraw/zinc/49/35/12/947493512.db2.gz AUKWJHLNBFDZQK-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001411272338 947561552 /nfs/dbraw/zinc/56/15/52/947561552.db2.gz FOBUKEIOVSRNPG-RUXDESIVSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001411282480 947581339 /nfs/dbraw/zinc/58/13/39/947581339.db2.gz PRRDWHBOMXSDNF-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CC1(C)CCN(CCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC001263247990 947825782 /nfs/dbraw/zinc/82/57/82/947825782.db2.gz OVNXHVYRBHRZEM-UHFFFAOYSA-N 1 3 308.430 0.479 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001179471847 947848598 /nfs/dbraw/zinc/84/85/98/947848598.db2.gz DHHRZKSURKAGBZ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC(C)(C)C)CCN1C(=O)CC[NH+](C)C ZINC001179472223 947849312 /nfs/dbraw/zinc/84/93/12/947849312.db2.gz JCTMXSLZKHMBHT-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C)N(C)C ZINC001179553825 947869841 /nfs/dbraw/zinc/86/98/41/947869841.db2.gz AIXRYLGEJCFAKV-RFGFWPKPSA-N 1 3 312.458 0.382 20 0 DCADHO C[NH2+]CCNC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001326116250 948057182 /nfs/dbraw/zinc/05/71/82/948057182.db2.gz NUGOGCSMDSVTAO-UHFFFAOYSA-N 1 3 319.453 0.453 20 0 DCADHO N=C(NC(=O)c1ccc(CN2CC[C@@H](O)C2)cc1)SCC[NH3+] ZINC001197617915 948065411 /nfs/dbraw/zinc/06/54/11/948065411.db2.gz RKBAFWJMQMLUSP-CYBMUJFWSA-N 1 3 322.434 0.610 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCO1 ZINC001327035275 948372492 /nfs/dbraw/zinc/37/24/92/948372492.db2.gz LZEMANCZYVAZSJ-HUUCEWRRSA-N 1 3 315.458 0.426 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001488267091 948636449 /nfs/dbraw/zinc/63/64/49/948636449.db2.gz HAJLUIJYJNUHBT-JSGCOSHPSA-N 1 3 321.425 0.400 20 0 DCADHO C[C@@H](O)CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001273920410 948679401 /nfs/dbraw/zinc/67/94/01/948679401.db2.gz SKLLLXWQOIGZSN-CZUORRHYSA-N 1 3 324.425 0.056 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnn(CCOC)c2)CC1 ZINC001364553336 949541902 /nfs/dbraw/zinc/54/19/02/949541902.db2.gz AWZLHYCNVGMFHA-OAHLLOKOSA-N 1 3 309.458 0.645 20 0 DCADHO CC[NH+]1CCC(CN2CCN(C(COC)COC)CC2)CC1 ZINC001364702626 949781825 /nfs/dbraw/zinc/78/18/25/949781825.db2.gz XDSIDOOEPPBAAE-UHFFFAOYSA-N 1 3 313.486 0.997 20 0 DCADHO CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC001329749446 949841192 /nfs/dbraw/zinc/84/11/92/949841192.db2.gz LWHJUNFCPKFUGB-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001330083047 950113487 /nfs/dbraw/zinc/11/34/87/950113487.db2.gz UQEOZGCQOYUYBY-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001490197189 950419138 /nfs/dbraw/zinc/41/91/38/950419138.db2.gz UQSSBYOBQBHDLG-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001490197189 950419153 /nfs/dbraw/zinc/41/91/53/950419153.db2.gz UQSSBYOBQBHDLG-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001279717246 950678180 /nfs/dbraw/zinc/67/81/80/950678180.db2.gz LQAQVBCZZKDOMR-GJZGRUSLSA-N 1 3 315.433 0.487 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001280241034 950792679 /nfs/dbraw/zinc/79/26/79/950792679.db2.gz KJVLLLZPFROYQJ-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001280458016 950882178 /nfs/dbraw/zinc/88/21/78/950882178.db2.gz KGIUJCHYZGPFLO-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001490611018 950944465 /nfs/dbraw/zinc/94/44/65/950944465.db2.gz QJSKQEIKPLUSBG-KBPBESRZSA-N 1 3 324.469 0.561 20 0 DCADHO COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001281163398 951341350 /nfs/dbraw/zinc/34/13/50/951341350.db2.gz NXHGPKRPOZHICP-GDBMZVCRSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H](CO)C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001274068273 951389215 /nfs/dbraw/zinc/38/92/15/951389215.db2.gz DDGFMYUCFXIJCE-DOTOQJQBSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H](CO)C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001274068273 951389228 /nfs/dbraw/zinc/38/92/28/951389228.db2.gz DDGFMYUCFXIJCE-DOTOQJQBSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CCCCC1 ZINC001332206061 951519836 /nfs/dbraw/zinc/51/98/36/951519836.db2.gz GSQLZSJTHPCOOS-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001365826146 951588352 /nfs/dbraw/zinc/58/83/52/951588352.db2.gz LAXXKTGOJYGUQV-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001365845294 951610460 /nfs/dbraw/zinc/61/04/60/951610460.db2.gz AAVRMQIBGCCTRG-BFHYXJOUSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCO)C1 ZINC001365875782 951638907 /nfs/dbraw/zinc/63/89/07/951638907.db2.gz NZVBBTGKQIEQEE-VGWMRTNUSA-N 1 3 309.454 0.489 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCO)C1 ZINC001365875782 951638912 /nfs/dbraw/zinc/63/89/12/951638912.db2.gz NZVBBTGKQIEQEE-VGWMRTNUSA-N 1 3 309.454 0.489 20 0 DCADHO CCOC[C@H](O)CN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274565699 951701394 /nfs/dbraw/zinc/70/13/94/951701394.db2.gz MGGGBZCLHXHJLK-ZBFHGGJFSA-N 1 3 313.442 0.012 20 0 DCADHO CCc1ccccc1[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCO ZINC001446934573 1013111478 /nfs/dbraw/zinc/11/14/78/1013111478.db2.gz DRZKNBOIMLYTCP-DOTOQJQBSA-N 1 3 319.449 0.940 20 0 DCADHO Cc1ncc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)[nH]1 ZINC001274576026 951709425 /nfs/dbraw/zinc/70/94/25/951709425.db2.gz JQQKWWANRGJDNT-HUUCEWRRSA-N 1 3 305.426 0.845 20 0 DCADHO CCc1ccccc1[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCO ZINC001446934573 1013111491 /nfs/dbraw/zinc/11/14/91/1013111491.db2.gz DRZKNBOIMLYTCP-DOTOQJQBSA-N 1 3 319.449 0.940 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC(F)(F)F)C1 ZINC001490816274 951899501 /nfs/dbraw/zinc/89/95/01/951899501.db2.gz NPEAHDMKYXPWTO-RYUDHWBXSA-N 1 3 323.359 0.850 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCC(=O)N1)C2 ZINC001275188641 951990841 /nfs/dbraw/zinc/99/08/41/951990841.db2.gz OTAAKCPDDLZSJB-WBVHZDCISA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCC(=O)N1)C2 ZINC001275188641 951990848 /nfs/dbraw/zinc/99/08/48/951990848.db2.gz OTAAKCPDDLZSJB-WBVHZDCISA-N 1 3 308.470 0.615 20 0 DCADHO COCn1ncc(C)c1CNCCC[N@@H+]1CCCN(C)CC1 ZINC001334097080 952238884 /nfs/dbraw/zinc/23/88/84/952238884.db2.gz MOYDCTPZGJRNDR-UHFFFAOYSA-N 1 3 309.458 0.913 20 0 DCADHO COCn1ncc(C)c1CNCCC[N@H+]1CCCN(C)CC1 ZINC001334097080 952238891 /nfs/dbraw/zinc/23/88/91/952238891.db2.gz MOYDCTPZGJRNDR-UHFFFAOYSA-N 1 3 309.458 0.913 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001338643285 953039577 /nfs/dbraw/zinc/03/95/77/953039577.db2.gz HBDJVEKTCOAPGF-HZPDHXFCSA-N 1 3 322.453 0.537 20 0 DCADHO CCN(CC)CC(=O)NCC1=CCN(C(=O)CC[NH+](C)C)CC1 ZINC001339490573 953098329 /nfs/dbraw/zinc/09/83/29/953098329.db2.gz ZXUWQSWOALKTOE-UHFFFAOYSA-N 1 3 324.469 0.555 20 0 DCADHO C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001342265436 953280363 /nfs/dbraw/zinc/28/03/63/953280363.db2.gz AEEHQNWWCNIEJM-VXGBXAGGSA-N 1 3 314.817 0.472 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001365881320 953357336 /nfs/dbraw/zinc/35/73/36/953357336.db2.gz DQBIDQUVKAKPFM-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366092054 953672703 /nfs/dbraw/zinc/67/27/03/953672703.db2.gz JIBBLWSCHHBTLU-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001366095345 953677713 /nfs/dbraw/zinc/67/77/13/953677713.db2.gz PRKQDMBUXJQNSO-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001366095345 953677717 /nfs/dbraw/zinc/67/77/17/953677717.db2.gz PRKQDMBUXJQNSO-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001366096718 953680365 /nfs/dbraw/zinc/68/03/65/953680365.db2.gz YLMSKKJGZVUGOW-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001366170835 953773619 /nfs/dbraw/zinc/77/36/19/953773619.db2.gz ZUYHNHJZVKURHR-OKILXGFUSA-N 1 3 322.457 0.685 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001366188936 953798654 /nfs/dbraw/zinc/79/86/54/953798654.db2.gz TZVJKLLQLTYJDE-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCN3CCN(C)CC3)C[N@@H+]2C1 ZINC001346106738 953801698 /nfs/dbraw/zinc/80/16/98/953801698.db2.gz MOBSNTWTKOTLAC-BRWVUGGUSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCN3CCN(C)CC3)C[N@H+]2C1 ZINC001346106738 953801714 /nfs/dbraw/zinc/80/17/14/953801714.db2.gz MOBSNTWTKOTLAC-BRWVUGGUSA-N 1 3 322.497 0.861 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001346295266 953849304 /nfs/dbraw/zinc/84/93/04/953849304.db2.gz PDWZZXZUVPAWHG-ZQIUZPCESA-N 1 3 322.453 0.126 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC001346340034 953860531 /nfs/dbraw/zinc/86/05/31/953860531.db2.gz OIMOJKQKWXJZFG-DOTOQJQBSA-N 1 3 323.485 0.537 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001366283838 953956493 /nfs/dbraw/zinc/95/64/93/953956493.db2.gz GOSMUDMYHJWYCA-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001366329776 954033136 /nfs/dbraw/zinc/03/31/36/954033136.db2.gz NEAFHMZOAQXHGA-UKRRQHHQSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001366329776 954033146 /nfs/dbraw/zinc/03/31/46/954033146.db2.gz NEAFHMZOAQXHGA-UKRRQHHQSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001366330820 954037265 /nfs/dbraw/zinc/03/72/65/954037265.db2.gz YXNCTRAZJZZGJG-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001366444149 954200594 /nfs/dbraw/zinc/20/05/94/954200594.db2.gz OUQTXXBLRHBWKC-KFWWJZLASA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001366444149 954200602 /nfs/dbraw/zinc/20/06/02/954200602.db2.gz OUQTXXBLRHBWKC-KFWWJZLASA-N 1 3 315.458 0.257 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001366486552 954266876 /nfs/dbraw/zinc/26/68/76/954266876.db2.gz CKMZYKIZNGEYRH-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001366513392 954306914 /nfs/dbraw/zinc/30/69/14/954306914.db2.gz RAVFZXRTNNCOPS-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCCCN1C ZINC001283646470 954508447 /nfs/dbraw/zinc/50/84/47/954508447.db2.gz IDJIORYXGRVTLQ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001349378662 954730362 /nfs/dbraw/zinc/73/03/62/954730362.db2.gz IBLNASLFZGGAMA-HIFRSBDPSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001349378662 954730373 /nfs/dbraw/zinc/73/03/73/954730373.db2.gz IBLNASLFZGGAMA-HIFRSBDPSA-N 1 3 312.458 0.147 20 0 DCADHO Cn1cc(CC[N@H+](CCNC(=O)[C@@H]2CCCN2C)C2CC2)cn1 ZINC001366739852 954747550 /nfs/dbraw/zinc/74/75/50/954747550.db2.gz WCXBCZWXAAUKFK-INIZCTEOSA-N 1 3 319.453 0.637 20 0 DCADHO Cn1cc(CC[N@@H+](CCNC(=O)[C@@H]2CCCN2C)C2CC2)cn1 ZINC001366739852 954747561 /nfs/dbraw/zinc/74/75/61/954747561.db2.gz WCXBCZWXAAUKFK-INIZCTEOSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCNC(=O)[C@H]2CCCN2C)C1 ZINC001349821400 954898487 /nfs/dbraw/zinc/89/84/87/954898487.db2.gz POAGZFSCPPAMTR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCNC(=O)[C@H]2CCCN2C)C1 ZINC001349821400 954898495 /nfs/dbraw/zinc/89/84/95/954898495.db2.gz POAGZFSCPPAMTR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001366855799 954942454 /nfs/dbraw/zinc/94/24/54/954942454.db2.gz KEIMMBVHHYIBET-UONOGXRCSA-N 1 3 324.425 0.096 20 0 DCADHO COC[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001366855799 954942462 /nfs/dbraw/zinc/94/24/62/954942462.db2.gz KEIMMBVHHYIBET-UONOGXRCSA-N 1 3 324.425 0.096 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001366879875 954979647 /nfs/dbraw/zinc/97/96/47/954979647.db2.gz GLUAKPQCRKWBSZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001366879875 954979659 /nfs/dbraw/zinc/97/96/59/954979659.db2.gz GLUAKPQCRKWBSZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC001367093614 955305557 /nfs/dbraw/zinc/30/55/57/955305557.db2.gz KWZQPTYDVCQEAB-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)CC ZINC001367124241 955353743 /nfs/dbraw/zinc/35/37/43/955353743.db2.gz IAWKDYRGGDXVMU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001367179064 955435822 /nfs/dbraw/zinc/43/58/22/955435822.db2.gz CUNNKNRQUAABDM-SUMWQHHRSA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001367179064 955435832 /nfs/dbraw/zinc/43/58/32/955435832.db2.gz CUNNKNRQUAABDM-SUMWQHHRSA-N 1 3 324.469 0.468 20 0 DCADHO CCCN(C)CC(=O)N[C@@](C)(C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001367196386 955452708 /nfs/dbraw/zinc/45/27/08/955452708.db2.gz LFUWLOOJQDPDJJ-PBHICJAKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CC(N)=O ZINC001367273483 955568238 /nfs/dbraw/zinc/56/82/38/955568238.db2.gz RXZYVPIFPAIUJV-XHDPSFHLSA-N 1 3 316.421 0.026 20 0 DCADHO C[NH+]1CCC(CN2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000823759328 956446281 /nfs/dbraw/zinc/44/62/81/956446281.db2.gz LPNNPSUPJMFEKD-UHFFFAOYSA-N 1 3 317.437 0.644 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)C(C)(C)[NH+]1CCCC1)N(C)C ZINC001293000061 957228851 /nfs/dbraw/zinc/22/88/51/957228851.db2.gz JDMQZHXSROYIAG-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@]1(C(=O)NCCCN2CCc3ccccc3C2)C[C@@H](O)C[NH2+]1 ZINC001357363991 957256416 /nfs/dbraw/zinc/25/64/16/957256416.db2.gz ZUFDHIAFPAYSDB-AEFFLSMTSA-N 1 3 317.433 0.664 20 0 DCADHO CC(C)C[C@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367422818 957799076 /nfs/dbraw/zinc/79/90/76/957799076.db2.gz AJSWYZJHJVHUBC-HZPDHXFCSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367422818 957799088 /nfs/dbraw/zinc/79/90/88/957799088.db2.gz AJSWYZJHJVHUBC-HZPDHXFCSA-N 1 3 321.469 0.992 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001367438615 957809180 /nfs/dbraw/zinc/80/91/80/957809180.db2.gz LWLZBTCLTDXWCP-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001367474640 957862572 /nfs/dbraw/zinc/86/25/72/957862572.db2.gz PNGLXSZAWIKOGG-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C ZINC001367474639 957863939 /nfs/dbraw/zinc/86/39/39/957863939.db2.gz PNGLXSZAWIKOGG-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCN(C)C1=O)C(C)C ZINC001367495442 957897770 /nfs/dbraw/zinc/89/77/70/957897770.db2.gz SZQAJMZSNCCRJS-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)C[C@@H]1CCc2ncnn21)N(C)C ZINC001367546944 958011030 /nfs/dbraw/zinc/01/10/30/958011030.db2.gz VWLVBLJBGBVPGK-KBPBESRZSA-N 1 3 322.457 0.496 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@@H]1CCc2ncnn21)N(C)C ZINC001367546944 958011042 /nfs/dbraw/zinc/01/10/42/958011042.db2.gz VWLVBLJBGBVPGK-KBPBESRZSA-N 1 3 322.457 0.496 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1cn(C)nn1 ZINC001367574560 958087358 /nfs/dbraw/zinc/08/73/58/958087358.db2.gz HNDUPEZAFZLOGK-ZFWWWQNUSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1cn(C)nn1 ZINC001367574560 958087373 /nfs/dbraw/zinc/08/73/73/958087373.db2.gz HNDUPEZAFZLOGK-ZFWWWQNUSA-N 1 3 322.457 0.531 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccsc2)CCC1 ZINC001367589630 958130708 /nfs/dbraw/zinc/13/07/08/958130708.db2.gz BBUDLDNTOTXJIV-CYBMUJFWSA-N 1 3 311.451 0.799 20 0 DCADHO CCc1c[nH]c(CC(=O)N[C@H](C)C[NH2+]Cc2ccn(C)n2)n1 ZINC001367674414 958332661 /nfs/dbraw/zinc/33/26/61/958332661.db2.gz GYMKYRUEXJMFHF-LLVKDONJSA-N 1 3 304.398 0.543 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001367677185 958340690 /nfs/dbraw/zinc/34/06/90/958340690.db2.gz UJKKTVOFKYBGNZ-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001367687492 958366326 /nfs/dbraw/zinc/36/63/26/958366326.db2.gz GWUCPOGAYGLIPF-CYBMUJFWSA-N 1 3 320.437 0.245 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001367766888 958532718 /nfs/dbraw/zinc/53/27/18/958532718.db2.gz VRANDPQYRWELNX-ZDUSSCGKSA-N 1 3 308.426 0.321 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001298484138 958619588 /nfs/dbraw/zinc/61/95/88/958619588.db2.gz RWHUEZCFQBOTNZ-MFHOCJEASA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001298484138 958619610 /nfs/dbraw/zinc/61/96/10/958619610.db2.gz RWHUEZCFQBOTNZ-MFHOCJEASA-N 1 3 324.469 0.457 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001362071663 958691135 /nfs/dbraw/zinc/69/11/35/958691135.db2.gz HFLRAOGUPOGOBH-HOTGVXAUSA-N 1 3 312.502 0.964 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001376794355 958858511 /nfs/dbraw/zinc/85/85/11/958858511.db2.gz VWNNYYCAIDFZSB-GFCCVEGCSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nnc(C)[nH]1 ZINC001367938458 958908547 /nfs/dbraw/zinc/90/85/47/958908547.db2.gz KUEXJMDOTQOXFQ-UONOGXRCSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001376816804 958911896 /nfs/dbraw/zinc/91/18/96/958911896.db2.gz ATTLREBYSITBHN-CABCVRRESA-N 1 3 322.457 0.635 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001491637025 958989691 /nfs/dbraw/zinc/98/96/91/958989691.db2.gz PSNFIVHPAVNNAG-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001491637025 958989701 /nfs/dbraw/zinc/98/97/01/958989701.db2.gz PSNFIVHPAVNNAG-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001376883631 959058098 /nfs/dbraw/zinc/05/80/98/959058098.db2.gz RMDJBDCEGHUELJ-CYBMUJFWSA-N 1 3 300.447 0.288 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001491704547 959058543 /nfs/dbraw/zinc/05/85/43/959058543.db2.gz FFUJVAGUAUKVMG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001491729648 959154920 /nfs/dbraw/zinc/15/49/20/959154920.db2.gz BQIQSYOQTCBJTM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001491729648 959154929 /nfs/dbraw/zinc/15/49/29/959154929.db2.gz BQIQSYOQTCBJTM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001368096888 959228015 /nfs/dbraw/zinc/22/80/15/959228015.db2.gz DWKMECBRYLGJTF-QWHCGFSZSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001368110009 959262894 /nfs/dbraw/zinc/26/28/94/959262894.db2.gz POPARMZFCDOKPX-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCn3cccn3)C2)CCC1 ZINC001491811068 959322979 /nfs/dbraw/zinc/32/29/79/959322979.db2.gz BMYXOVXECHJGAP-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC001377031221 959351279 /nfs/dbraw/zinc/35/12/79/959351279.db2.gz TYHVONLLBOHJTK-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCNC1=O ZINC001377031207 959353601 /nfs/dbraw/zinc/35/36/01/959353601.db2.gz TYHVONLLBOHJTK-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001377068351 959421507 /nfs/dbraw/zinc/42/15/07/959421507.db2.gz QXCNMCHEWISDEV-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)CCC1 ZINC001491975456 959464743 /nfs/dbraw/zinc/46/47/43/959464743.db2.gz ODIFTNIKFSHYFI-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO Cc1cnc(C[NH2+][C@H](C)CCNC(=O)CN2CCCC2)cn1 ZINC001377112597 959489052 /nfs/dbraw/zinc/48/90/52/959489052.db2.gz UDQRUZZROJPUFM-CYBMUJFWSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@@H](NCc1nccn1C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368336624 959697509 /nfs/dbraw/zinc/69/75/09/959697509.db2.gz PWABMCFOZBHVLB-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001377264772 959822830 /nfs/dbraw/zinc/82/28/30/959822830.db2.gz HNURYQCYTAIJLD-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001368450951 959882419 /nfs/dbraw/zinc/88/24/19/959882419.db2.gz NCMCDSSWXQDMGI-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001368450951 959882422 /nfs/dbraw/zinc/88/24/22/959882422.db2.gz NCMCDSSWXQDMGI-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001368450604 959882808 /nfs/dbraw/zinc/88/28/08/959882808.db2.gz PSTKHKLLJAQXHM-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001368450604 959882823 /nfs/dbraw/zinc/88/28/23/959882823.db2.gz PSTKHKLLJAQXHM-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC(=O)NC2CC2)CC1 ZINC001377300779 959887364 /nfs/dbraw/zinc/88/73/64/959887364.db2.gz KETPVNLKFXRTER-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)NC2CC2)CCC1 ZINC001368499087 959945703 /nfs/dbraw/zinc/94/57/03/959945703.db2.gz YRZRECRROBBEER-UHFFFAOYSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H](C(=O)NCC[N@H+](CC)C[C@H]1CCc2ncnn21)N(C)C ZINC001377359351 959971612 /nfs/dbraw/zinc/97/16/12/959971612.db2.gz FIIALVZXYNYVRQ-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H](C(=O)NCC[N@@H+](CC)C[C@H]1CCc2ncnn21)N(C)C ZINC001377359351 959971623 /nfs/dbraw/zinc/97/16/23/959971623.db2.gz FIIALVZXYNYVRQ-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)Nc1ccon1 ZINC001377414959 960060786 /nfs/dbraw/zinc/06/07/86/960060786.db2.gz DNXZBKHJHQRXEA-RYUDHWBXSA-N 1 3 323.397 0.192 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cncn2C)[C@@H](C)C1 ZINC001368651068 960122308 /nfs/dbraw/zinc/12/23/08/960122308.db2.gz FJKDVFJODAREPB-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cncn2C)[C@@H](C)C1 ZINC001368651068 960122313 /nfs/dbraw/zinc/12/23/13/960122313.db2.gz FJKDVFJODAREPB-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCCCC1 ZINC001368658086 960130045 /nfs/dbraw/zinc/13/00/45/960130045.db2.gz RZACBNSLXXPVFN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)c1ccc(CNCCN2CCC([NH+](C)C)CC2)[nH]1 ZINC001308300328 960175124 /nfs/dbraw/zinc/17/51/24/960175124.db2.gz LBWBYLCPZCEFML-UHFFFAOYSA-N 1 3 321.469 0.832 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001377488350 960179166 /nfs/dbraw/zinc/17/91/66/960179166.db2.gz JNOPZLYUDOHSHM-IHRRRGAJSA-N 1 3 322.457 0.590 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001368754509 960227319 /nfs/dbraw/zinc/22/73/19/960227319.db2.gz HWBCFPRVBROHNT-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC1CCCC1 ZINC001377591344 960326421 /nfs/dbraw/zinc/32/64/21/960326421.db2.gz RJDVPUQCLKKBDN-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001377607235 960350628 /nfs/dbraw/zinc/35/06/28/960350628.db2.gz VGEKCPJLJVBVFB-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001377607235 960350637 /nfs/dbraw/zinc/35/06/37/960350637.db2.gz VGEKCPJLJVBVFB-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316824992 960356789 /nfs/dbraw/zinc/35/67/89/960356789.db2.gz ZJNCPKOBMWCOBS-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001416905071 960421627 /nfs/dbraw/zinc/42/16/27/960421627.db2.gz PKDMEBOLRAZBBL-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001377722003 960502114 /nfs/dbraw/zinc/50/21/14/960502114.db2.gz FRBPSYRLCVNTAN-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001377722003 960502119 /nfs/dbraw/zinc/50/21/19/960502119.db2.gz FRBPSYRLCVNTAN-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H]([NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1)C(N)=O ZINC001378361213 960649564 /nfs/dbraw/zinc/64/95/64/960649564.db2.gz CWNWQAPRZJBTHW-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(=O)N(C)C)C2)CC1 ZINC001363257804 960717952 /nfs/dbraw/zinc/71/79/52/960717952.db2.gz CPMKXAIIPNGQKY-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(=O)N(C)C)C2)CC1 ZINC001363257804 960717967 /nfs/dbraw/zinc/71/79/67/960717967.db2.gz CPMKXAIIPNGQKY-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC1 ZINC001378411757 960720458 /nfs/dbraw/zinc/72/04/58/960720458.db2.gz IZQVSQMXHCPDAP-KRWDZBQOSA-N 1 3 324.469 0.467 20 0 DCADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363260163 960726415 /nfs/dbraw/zinc/72/64/15/960726415.db2.gz PVHYZDYXLWNONA-JONQDZQNSA-N 1 3 307.438 0.671 20 0 DCADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363260163 960726428 /nfs/dbraw/zinc/72/64/28/960726428.db2.gz PVHYZDYXLWNONA-JONQDZQNSA-N 1 3 307.438 0.671 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)NC1CCCC1 ZINC001377852041 960817654 /nfs/dbraw/zinc/81/76/54/960817654.db2.gz SCRHXIFDQSSPHR-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001378493524 960858847 /nfs/dbraw/zinc/85/88/47/960858847.db2.gz HQPWREVFDKCQMI-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377902293 960939592 /nfs/dbraw/zinc/93/95/92/960939592.db2.gz BWABHFDXQOJJRZ-RYUDHWBXSA-N 1 3 318.425 0.720 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001447043919 1013223445 /nfs/dbraw/zinc/22/34/45/1013223445.db2.gz QZYCWGKUBNHEOV-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001447043919 1013223456 /nfs/dbraw/zinc/22/34/56/1013223456.db2.gz QZYCWGKUBNHEOV-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cncn1C ZINC001378606229 961114450 /nfs/dbraw/zinc/11/44/50/961114450.db2.gz OZJLBMPXOCHDBZ-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)[C@H]1CCCCN1C ZINC001378781631 961467849 /nfs/dbraw/zinc/46/78/49/961467849.db2.gz CFPACJBQMYAUAV-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)[C@H]1CCCCN1C ZINC001378781615 961468154 /nfs/dbraw/zinc/46/81/54/961468154.db2.gz CFPACJBQMYAUAV-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001378788995 961478278 /nfs/dbraw/zinc/47/82/78/961478278.db2.gz NROBFZHNJIROFU-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378810714 961522726 /nfs/dbraw/zinc/52/27/26/961522726.db2.gz MSSJDXMKXYZBBP-DZGCQCFKSA-N 1 3 314.474 0.534 20 0 DCADHO Cc1nc([C@H](C)N[C@H](CNC(=O)CC[NH+](C)C)C(C)C)n[nH]1 ZINC001378992701 961825632 /nfs/dbraw/zinc/82/56/32/961825632.db2.gz RESVREMRASGHKF-WCQYABFASA-N 1 3 310.446 0.856 20 0 DCADHO Cc1nc([C@H](C)N[C@@H](CNC(=O)CC[NH+](C)C)C(C)C)n[nH]1 ZINC001378992690 961828871 /nfs/dbraw/zinc/82/88/71/961828871.db2.gz RESVREMRASGHKF-AAEUAGOBSA-N 1 3 310.446 0.856 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](NCc1cnnn1C)C(C)C)[NH+](C)C ZINC001379030354 961919780 /nfs/dbraw/zinc/91/97/80/961919780.db2.gz CEJXRPBPCZLFCB-HUUCEWRRSA-N 1 3 324.473 0.632 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001379847160 962132906 /nfs/dbraw/zinc/13/29/06/962132906.db2.gz YJSOHLHNYBRTLQ-OAHLLOKOSA-N 1 3 308.426 0.251 20 0 DCADHO CN(C[C@H](O)CNCc1ccns1)C(=O)C12CC[NH+](CC1)C2 ZINC001379864980 962173047 /nfs/dbraw/zinc/17/30/47/962173047.db2.gz FIAZGBDZPBHCAL-GFCCVEGCSA-N 1 3 324.450 0.148 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)Cc1c[nH]cn1 ZINC001379149148 962201446 /nfs/dbraw/zinc/20/14/46/962201446.db2.gz OGPZCBFNODXBEG-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)Cc1c[nH]cn1 ZINC001379149148 962201455 /nfs/dbraw/zinc/20/14/55/962201455.db2.gz OGPZCBFNODXBEG-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO C[NH+](C)CCC(=O)N1CCO[C@@H](CNCc2cncs2)C1 ZINC001447293024 1013353074 /nfs/dbraw/zinc/35/30/74/1013353074.db2.gz VYSVUFCFCLTOOG-LBPRGKRZSA-N 1 3 312.439 0.412 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379325044 962629750 /nfs/dbraw/zinc/62/97/50/962629750.db2.gz YIMIZBVIHQPHFJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379325044 962629761 /nfs/dbraw/zinc/62/97/61/962629761.db2.gz YIMIZBVIHQPHFJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379358827 962716243 /nfs/dbraw/zinc/71/62/43/962716243.db2.gz ODMHVMSLNWQVKK-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379358827 962716253 /nfs/dbraw/zinc/71/62/53/962716253.db2.gz ODMHVMSLNWQVKK-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001364235223 962724331 /nfs/dbraw/zinc/72/43/31/962724331.db2.gz LMHOGHANJCDJIP-BZUAXINKSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001364235223 962724342 /nfs/dbraw/zinc/72/43/42/962724342.db2.gz LMHOGHANJCDJIP-BZUAXINKSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001364235223 962724355 /nfs/dbraw/zinc/72/43/55/962724355.db2.gz LMHOGHANJCDJIP-BZUAXINKSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001379381761 962778301 /nfs/dbraw/zinc/77/83/01/962778301.db2.gz LFIYRCQYRZDIPT-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001379397208 962826241 /nfs/dbraw/zinc/82/62/41/962826241.db2.gz OXCIYFKCLPBPHX-CYBMUJFWSA-N 1 3 319.453 0.951 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379535340 963149409 /nfs/dbraw/zinc/14/94/09/963149409.db2.gz ICXKWWPFLGJXQG-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379535340 963149422 /nfs/dbraw/zinc/14/94/22/963149422.db2.gz ICXKWWPFLGJXQG-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnn1C ZINC001379598259 963242625 /nfs/dbraw/zinc/24/26/25/963242625.db2.gz KOUOZVGHQVIRMA-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001380676481 963481927 /nfs/dbraw/zinc/48/19/27/963481927.db2.gz LQFNKGZINLRVMJ-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001380692608 963494527 /nfs/dbraw/zinc/49/45/27/963494527.db2.gz UDCZAOFGLGXAEJ-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2ccn(C)n2)C1 ZINC001380692608 963494533 /nfs/dbraw/zinc/49/45/33/963494533.db2.gz UDCZAOFGLGXAEJ-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCC(=O)NC(C)(C)C)CCC1 ZINC001380875954 963649581 /nfs/dbraw/zinc/64/95/81/963649581.db2.gz AXSVREYQADMGCO-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001380939979 963697750 /nfs/dbraw/zinc/69/77/50/963697750.db2.gz RIPJKTIMZNGQCH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001380939979 963697753 /nfs/dbraw/zinc/69/77/53/963697753.db2.gz RIPJKTIMZNGQCH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001380942948 963699904 /nfs/dbraw/zinc/69/99/04/963699904.db2.gz YACQECCMQHWXSV-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001380942948 963699910 /nfs/dbraw/zinc/69/99/10/963699910.db2.gz YACQECCMQHWXSV-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1cnn(C)c1 ZINC001381106599 963818584 /nfs/dbraw/zinc/81/85/84/963818584.db2.gz QPRLHLUATUGWTA-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1NCC(N)=O ZINC001381110675 963823079 /nfs/dbraw/zinc/82/30/79/963823079.db2.gz XTBZESLQZVZPQX-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1NCC(N)=O ZINC001381110675 963823084 /nfs/dbraw/zinc/82/30/84/963823084.db2.gz XTBZESLQZVZPQX-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](O)COC)N(C)C ZINC001381297239 963952760 /nfs/dbraw/zinc/95/27/60/963952760.db2.gz IHXQSRBDZMEQNP-KKUMJFAQSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)C[C@H](O)COC)N(C)C ZINC001381297239 963952762 /nfs/dbraw/zinc/95/27/62/963952762.db2.gz IHXQSRBDZMEQNP-KKUMJFAQSA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001430454191 1013488820 /nfs/dbraw/zinc/48/88/20/1013488820.db2.gz CTUUBRGEMWQYNB-KBPBESRZSA-N 1 3 310.442 0.090 20 0 DCADHO Cn1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001373640772 964411475 /nfs/dbraw/zinc/41/14/75/964411475.db2.gz UUDDMVWXEIGHGV-CQSZACIVSA-N 1 3 306.410 0.028 20 0 DCADHO CC[C@@H](C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1)[NH+](CC)CC ZINC001375481074 964456458 /nfs/dbraw/zinc/45/64/58/964456458.db2.gz FNAOMAZIKVOEAZ-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001369161483 964471412 /nfs/dbraw/zinc/47/14/12/964471412.db2.gz CGWSXQHRYDCFNZ-AJNGGQMLSA-N 1 3 324.469 0.336 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001369181037 964495182 /nfs/dbraw/zinc/49/51/82/964495182.db2.gz RULUTABNCZZORM-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001369181037 964495188 /nfs/dbraw/zinc/49/51/88/964495188.db2.gz RULUTABNCZZORM-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nc(CNC[C@H](C2CC2)N(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001369222214 964544155 /nfs/dbraw/zinc/54/41/55/964544155.db2.gz LTQBVKKOTVQCSI-UONOGXRCSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CNC[C@H](C2CC2)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001369222214 964544162 /nfs/dbraw/zinc/54/41/62/964544162.db2.gz LTQBVKKOTVQCSI-UONOGXRCSA-N 1 3 320.441 0.391 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)NC1CC1 ZINC001373768728 964599634 /nfs/dbraw/zinc/59/96/34/964599634.db2.gz MEDNTNDKSDEUBH-ZDUSSCGKSA-N 1 3 322.453 0.378 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001369269536 964629682 /nfs/dbraw/zinc/62/96/82/964629682.db2.gz YLXKRAQKCZETTR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCN(CC)C1=O ZINC001373791567 964631668 /nfs/dbraw/zinc/63/16/68/964631668.db2.gz OBURIGJACUMTIB-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001373799548 964646872 /nfs/dbraw/zinc/64/68/72/964646872.db2.gz VVHFQWUBIJWZNA-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1)[NH+](C)C ZINC001369292229 964667236 /nfs/dbraw/zinc/66/72/36/964667236.db2.gz KYGBHXYKKRFQPA-HIFRSBDPSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001369318402 964725516 /nfs/dbraw/zinc/72/55/16/964725516.db2.gz BJTUHKFLMJCEDS-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001373922532 964785577 /nfs/dbraw/zinc/78/55/77/964785577.db2.gz AWGXDCUYKUWAAI-SYQHCUMBSA-N 1 3 310.442 0.232 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001373923937 964788206 /nfs/dbraw/zinc/78/82/06/964788206.db2.gz RALYCCXGKZNZTJ-SHTZXODSSA-N 1 3 322.457 0.637 20 0 DCADHO C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001373982352 964847949 /nfs/dbraw/zinc/84/79/49/964847949.db2.gz TVCJBQULJVYPNP-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001375865073 964942265 /nfs/dbraw/zinc/94/22/65/964942265.db2.gz BTMORXZDXYHZPO-XJKSGUPXSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1nc(CNC2(CNC(=O)CCC[NH+](C)C)CCCC2)n[nH]1 ZINC001374175557 965097041 /nfs/dbraw/zinc/09/70/41/965097041.db2.gz NJUHOOZCUALVPV-UHFFFAOYSA-N 1 3 322.457 0.974 20 0 DCADHO C[C@H](O)CN1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001376068427 965156039 /nfs/dbraw/zinc/15/60/39/965156039.db2.gz JBQDEYZZYATILR-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001447798699 1013553383 /nfs/dbraw/zinc/55/33/83/1013553383.db2.gz RLPMTBDPMLDWGF-JXQTWKCFSA-N 1 3 322.453 0.234 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001376113327 965214096 /nfs/dbraw/zinc/21/40/96/965214096.db2.gz IRTJNTOXTVCBMD-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374312432 965263806 /nfs/dbraw/zinc/26/38/06/965263806.db2.gz LOJVKITVNGGMHZ-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374312432 965263813 /nfs/dbraw/zinc/26/38/13/965263813.db2.gz LOJVKITVNGGMHZ-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO CCn1cc(CCN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001376151304 965292037 /nfs/dbraw/zinc/29/20/37/965292037.db2.gz NASMWDKHBZHSAK-MRXNPFEDSA-N 1 3 321.469 0.978 20 0 DCADHO C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001374535531 965499335 /nfs/dbraw/zinc/49/93/35/965499335.db2.gz GCECQIGOUXPMJA-BBRMVZONSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001374535531 965499339 /nfs/dbraw/zinc/49/93/39/965499339.db2.gz GCECQIGOUXPMJA-BBRMVZONSA-N 1 3 317.449 0.970 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C(C)C)C1)N(C)C ZINC001376333084 965534225 /nfs/dbraw/zinc/53/42/25/965534225.db2.gz SVAIWJOJRUDMMY-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001376357386 965561412 /nfs/dbraw/zinc/56/14/12/965561412.db2.gz AQZVPBQSQZJGOQ-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001376410487 965627116 /nfs/dbraw/zinc/62/71/16/965627116.db2.gz SKRGNNBZCQDDGE-MGPQQGTHSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)NC1CC1 ZINC001376468396 965697432 /nfs/dbraw/zinc/69/74/32/965697432.db2.gz XBNPDUAQPARMLY-BNOWGMLFSA-N 1 3 322.453 0.375 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001374713063 965801157 /nfs/dbraw/zinc/80/11/57/965801157.db2.gz NBSVVCKXXWVYKL-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001374721108 965812690 /nfs/dbraw/zinc/81/26/90/965812690.db2.gz LSEZNQYIEOMNEO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001374748797 965858112 /nfs/dbraw/zinc/85/81/12/965858112.db2.gz GBFXOTXJMPTWCD-UONOGXRCSA-N 1 3 314.474 0.487 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001376600509 965876905 /nfs/dbraw/zinc/87/69/05/965876905.db2.gz BGXDLSXCZLZGOP-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001376602424 965878366 /nfs/dbraw/zinc/87/83/66/965878366.db2.gz ZBXYFWBNAGNKQJ-KKUMJFAQSA-N 1 3 324.469 0.611 20 0 DCADHO CN1CC[C@@H](NC[C@H]2CCCCN2C(=O)CC[NH+](C)C)C1=O ZINC001376602905 965880564 /nfs/dbraw/zinc/88/05/64/965880564.db2.gz LZTTYYRMXSWOIL-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001370263568 965933143 /nfs/dbraw/zinc/93/31/43/965933143.db2.gz INXREXCXKICWCE-HZPDHXFCSA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@H](C)O3)C[C@H]21 ZINC001376662296 965953237 /nfs/dbraw/zinc/95/32/37/965953237.db2.gz WTYZUXQLTVHFCM-NBFUAULTSA-N 1 3 309.454 0.941 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC[C@H](C)O3)C[C@H]21 ZINC001376662296 965953244 /nfs/dbraw/zinc/95/32/44/965953244.db2.gz WTYZUXQLTVHFCM-NBFUAULTSA-N 1 3 309.454 0.941 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001370398747 966082304 /nfs/dbraw/zinc/08/23/04/966082304.db2.gz XFBZSDJLTXDJFG-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001370398747 966082314 /nfs/dbraw/zinc/08/23/14/966082314.db2.gz XFBZSDJLTXDJFG-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001376754048 966120504 /nfs/dbraw/zinc/12/05/04/966120504.db2.gz AKFFQNKZIXSCMW-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)CCn1cncn1)[NH+](C)C ZINC001375094030 966344108 /nfs/dbraw/zinc/34/41/08/966344108.db2.gz JDFJRKUIROJREV-ZIAGYGMSSA-N 1 3 310.446 0.301 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001370704905 966399567 /nfs/dbraw/zinc/39/95/67/966399567.db2.gz PWLFWAAGASRLKV-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)cn2)C1 ZINC001370704905 966399573 /nfs/dbraw/zinc/39/95/73/966399573.db2.gz PWLFWAAGASRLKV-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cnn(C)c1 ZINC001371308708 966888991 /nfs/dbraw/zinc/88/89/91/966888991.db2.gz QAMDMQHOJBGJLI-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCc1cncn1C ZINC001382093057 966933976 /nfs/dbraw/zinc/93/39/76/966933976.db2.gz KBFKBXVKTYLWJO-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001371379043 966945468 /nfs/dbraw/zinc/94/54/68/966945468.db2.gz QNAZTKUQBCIDGO-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@H]1CCNC1=O ZINC001382139231 966973296 /nfs/dbraw/zinc/97/32/96/966973296.db2.gz NBERKTMGENFSPM-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382159744 966991477 /nfs/dbraw/zinc/99/14/77/966991477.db2.gz XDTKTDNEANMLGR-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382159744 966991483 /nfs/dbraw/zinc/99/14/83/966991483.db2.gz XDTKTDNEANMLGR-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001371473673 967022304 /nfs/dbraw/zinc/02/23/04/967022304.db2.gz KQCXWEXVSXBBRJ-STQMWFEESA-N 1 3 308.430 0.200 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC(C)CC1 ZINC001371475419 967026228 /nfs/dbraw/zinc/02/62/28/967026228.db2.gz SGTFDCLKVLDPFN-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC(C)CC1 ZINC001371475419 967026235 /nfs/dbraw/zinc/02/62/35/967026235.db2.gz SGTFDCLKVLDPFN-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(NC[C@@H](CO)NCCC(F)(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC001382220563 967086251 /nfs/dbraw/zinc/08/62/51/967086251.db2.gz PXWISWZILBILLB-RYUDHWBXSA-N 1 3 323.359 0.347 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001371587580 967148304 /nfs/dbraw/zinc/14/83/04/967148304.db2.gz TWXAXDNADOPPEI-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)CN1C(=O)CN1CCCC1 ZINC001382317664 967208935 /nfs/dbraw/zinc/20/89/35/967208935.db2.gz UDZUJNWSLXSBKF-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(N)=O)[C@H]2C1 ZINC001382327430 967222394 /nfs/dbraw/zinc/22/23/94/967222394.db2.gz GJDBZYWEKNFNPT-IHRRRGAJSA-N 1 3 310.442 0.030 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001382354060 967252168 /nfs/dbraw/zinc/25/21/68/967252168.db2.gz QIKBDRKFOAQTKQ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001382354070 967252527 /nfs/dbraw/zinc/25/25/27/967252527.db2.gz QIKBDRKFOAQTKQ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001382416977 967349736 /nfs/dbraw/zinc/34/97/36/967349736.db2.gz VJZIMCWOCKACIU-HNNXBMFYSA-N 1 3 308.426 0.251 20 0 DCADHO CN(C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C[C@@H]1CCCCO1 ZINC001382461747 967406195 /nfs/dbraw/zinc/40/61/95/967406195.db2.gz CBKVXFMGZOYKCS-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21)N(C)C ZINC001372719189 968288576 /nfs/dbraw/zinc/28/85/76/968288576.db2.gz CFHXMEZUPJRSOL-KNCOVGOOSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21)N(C)C ZINC001372719189 968288583 /nfs/dbraw/zinc/28/85/83/968288583.db2.gz CFHXMEZUPJRSOL-KNCOVGOOSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001372914105 968523979 /nfs/dbraw/zinc/52/39/79/968523979.db2.gz FPIKECKPWHJZHS-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001373294400 968906869 /nfs/dbraw/zinc/90/68/69/968906869.db2.gz PYAYSSWIFFDLLH-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)NCC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001373560074 969229938 /nfs/dbraw/zinc/22/99/38/969229938.db2.gz MEAYXWSGMZYVAJ-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001431048969 1013884594 /nfs/dbraw/zinc/88/45/94/1013884594.db2.gz TUMKEJJIWAAGFJ-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+][C@H]2CCNC2=O)C2CC2)CCC1 ZINC001448587674 1013958703 /nfs/dbraw/zinc/95/87/03/1013958703.db2.gz CSXQWNOPRPMUOM-UONOGXRCSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC(=O)NC1CC1 ZINC001448750016 1014022484 /nfs/dbraw/zinc/02/24/84/1014022484.db2.gz LLVUIXYABNQBSU-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN1CCC(C)CC1 ZINC001449017384 1014135219 /nfs/dbraw/zinc/13/52/19/1014135219.db2.gz JCZUDLJYUUYETC-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001549174571 1014164072 /nfs/dbraw/zinc/16/40/72/1014164072.db2.gz DOPIEMCAIGTBIQ-GJZGRUSLSA-N 1 3 302.378 0.573 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001449075247 1014170588 /nfs/dbraw/zinc/17/05/88/1014170588.db2.gz GDLZTDMBPKKQIP-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)(C)[C@H](CN[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001449330233 1014416617 /nfs/dbraw/zinc/41/66/17/1014416617.db2.gz RNFLVSIYMBYJCE-OLZOCXBDSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)(C)[C@@H](CN[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001449331770 1014417978 /nfs/dbraw/zinc/41/79/78/1014417978.db2.gz RNFLVSIYMBYJCE-QWHCGFSZSA-N 1 3 322.453 0.091 20 0 DCADHO [NH3+][C@H]1CCO[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001550070021 1014550226 /nfs/dbraw/zinc/55/02/26/1014550226.db2.gz MWMLZLJFNWMFMC-JKSUJKDBSA-N 1 3 318.421 0.526 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)C2)nn1 ZINC001550095162 1014564719 /nfs/dbraw/zinc/56/47/19/1014564719.db2.gz AYHNMHKSQTYLSW-NFAWXSAZSA-N 1 3 304.398 0.042 20 0 DCADHO C[C@@H](CC(=O)N1CC[C@@H](n2cc(CN)nn2)C1)C1CC[NH2+]CC1 ZINC001550097550 1014567511 /nfs/dbraw/zinc/56/75/11/1014567511.db2.gz YHKGTRIRPTVQCA-SWLSCSKDSA-N 1 3 320.441 0.536 20 0 DCADHO Cn1ncc(CN)c1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001550098163 1014568221 /nfs/dbraw/zinc/56/82/21/1014568221.db2.gz MOHRTQVUYSUIDR-UHFFFAOYSA-N 1 3 317.397 0.594 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC001550121841 1014587024 /nfs/dbraw/zinc/58/70/24/1014587024.db2.gz ADAJSGBRHHUJRA-MGPQQGTHSA-N 1 3 318.425 0.511 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C[C@@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001550174676 1014611023 /nfs/dbraw/zinc/61/10/23/1014611023.db2.gz IPKHQIJOFNZIBM-KGLIPLIRSA-N 1 3 312.433 0.492 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3[NH2+]2)CC1 ZINC001550200321 1014626427 /nfs/dbraw/zinc/62/64/27/1014626427.db2.gz HPWJZNLRRCMZSD-IHRRRGAJSA-N 1 3 320.437 0.069 20 0 DCADHO CC(C)C[C@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550205120 1014627549 /nfs/dbraw/zinc/62/75/49/1014627549.db2.gz VUVZLWSIUCHTGA-AWEZNQCLSA-N 1 3 324.469 0.692 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001523424581 1014703531 /nfs/dbraw/zinc/70/35/31/1014703531.db2.gz IIFLZQKGVNENSP-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001523424581 1014703535 /nfs/dbraw/zinc/70/35/35/1014703535.db2.gz IIFLZQKGVNENSP-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)N(C)CC(=O)NCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001523456380 1014709169 /nfs/dbraw/zinc/70/91/69/1014709169.db2.gz QTIYLTBBVSQTEK-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O)N(C)C ZINC001550482208 1014724658 /nfs/dbraw/zinc/72/46/58/1014724658.db2.gz YKWFLCDCSDQCPH-KDEOKCCVSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O)N(C)C ZINC001550482208 1014724669 /nfs/dbraw/zinc/72/46/69/1014724669.db2.gz YKWFLCDCSDQCPH-KDEOKCCVSA-N 1 3 311.470 0.923 20 0 DCADHO CCCN(C)CC(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001449869555 1014743724 /nfs/dbraw/zinc/74/37/24/1014743724.db2.gz YCJBFFBEANXXMV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001449869555 1014743735 /nfs/dbraw/zinc/74/37/35/1014743735.db2.gz YCJBFFBEANXXMV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO [NH3+][C@@H]1CCOC[C@@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550752997 1014836961 /nfs/dbraw/zinc/83/69/61/1014836961.db2.gz ADFMPJXFJMMSTC-KFWWJZLASA-N 1 3 304.394 0.116 20 0 DCADHO Cc1cc(CN[C@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc(C)n1 ZINC001550913825 1014909448 /nfs/dbraw/zinc/90/94/48/1014909448.db2.gz PJSXEUHCHJYGPW-RDJZCZTQSA-N 1 3 317.437 0.830 20 0 DCADHO CCCN(C)CC(=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001383615679 984952722 /nfs/dbraw/zinc/95/27/22/984952722.db2.gz OFHIBHQBNXMDJA-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001383780389 985088034 /nfs/dbraw/zinc/08/80/34/985088034.db2.gz UESZIIMEIUSSBW-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC001551496346 1015116141 /nfs/dbraw/zinc/11/61/41/1015116141.db2.gz HWUJEZIECTWZLK-UQPPLGOBSA-N 1 3 324.469 0.929 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001384102319 985365026 /nfs/dbraw/zinc/36/50/26/985365026.db2.gz HLOFZRXYGYQVIM-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@@H]3[C@@H]1CCCN3CCO)C2 ZINC001551572610 1015143481 /nfs/dbraw/zinc/14/34/81/1015143481.db2.gz ZVBKXMAKWSXONH-NHGZVPIDSA-N 1 3 308.426 0.107 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001384451703 985589636 /nfs/dbraw/zinc/58/96/36/985589636.db2.gz YBJPLBOTXDFINS-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001384451703 985589644 /nfs/dbraw/zinc/58/96/44/985589644.db2.gz YBJPLBOTXDFINS-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001531343759 1015145199 /nfs/dbraw/zinc/14/51/99/1015145199.db2.gz CPLPTWGFGMMCHY-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](CC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001531343759 1015145208 /nfs/dbraw/zinc/14/52/08/1015145208.db2.gz CPLPTWGFGMMCHY-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001384730035 985774285 /nfs/dbraw/zinc/77/42/85/985774285.db2.gz YXAVYOWHXWNHOC-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@@H]1C ZINC001384747357 985787757 /nfs/dbraw/zinc/78/77/57/985787757.db2.gz OPJPYJMEDDFSSJ-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@@H]1C ZINC001384747357 985787760 /nfs/dbraw/zinc/78/77/60/985787760.db2.gz OPJPYJMEDDFSSJ-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001385317739 986247305 /nfs/dbraw/zinc/24/73/05/986247305.db2.gz TWWRRGFIEVUDFJ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001385317739 986247317 /nfs/dbraw/zinc/24/73/17/986247317.db2.gz TWWRRGFIEVUDFJ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001385434131 986348454 /nfs/dbraw/zinc/34/84/54/986348454.db2.gz HLXSCSDSPFACPM-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001385506237 986395150 /nfs/dbraw/zinc/39/51/50/986395150.db2.gz AGKPMQAQXDVIJF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001385752528 986571272 /nfs/dbraw/zinc/57/12/72/986571272.db2.gz FSEIMXGQCLYLDF-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001386343393 987090215 /nfs/dbraw/zinc/09/02/15/987090215.db2.gz DFKZKMXYTSBIGQ-XQLPTFJDSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001386343393 987090222 /nfs/dbraw/zinc/09/02/22/987090222.db2.gz DFKZKMXYTSBIGQ-XQLPTFJDSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001386349088 987094546 /nfs/dbraw/zinc/09/45/46/987094546.db2.gz UGMMFMDNXNHDDW-TZMCWYRMSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001386472935 987166443 /nfs/dbraw/zinc/16/64/43/987166443.db2.gz FZAHVZSKYHSXSN-MGPQQGTHSA-N 1 3 314.474 0.534 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001386729458 987345917 /nfs/dbraw/zinc/34/59/17/987345917.db2.gz QOSMHDWOOOIUOJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001386863416 987462166 /nfs/dbraw/zinc/46/21/66/987462166.db2.gz UKWRALJGIWDYGS-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001386967816 987536299 /nfs/dbraw/zinc/53/62/99/987536299.db2.gz DZXIQLCVICLUNY-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001386967816 987536300 /nfs/dbraw/zinc/53/63/00/987536300.db2.gz DZXIQLCVICLUNY-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200138 1015320139 /nfs/dbraw/zinc/32/01/39/1015320139.db2.gz MVPTYTXWCSKNKO-DOTOQJQBSA-N 1 3 303.406 0.600 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552217762 1015336556 /nfs/dbraw/zinc/33/65/56/1015336556.db2.gz IRNDIVLGCSKHOA-ZACQAIPSSA-N 1 3 321.465 0.992 20 0 DCADHO CN1CCC[C@@H]1C(=O)N(CCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001387523062 987885943 /nfs/dbraw/zinc/88/59/43/987885943.db2.gz PENWIMRAZJZCRY-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001387721858 988083184 /nfs/dbraw/zinc/08/31/84/988083184.db2.gz HNSKMXGUCNAFIT-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001387721858 988083193 /nfs/dbraw/zinc/08/31/93/988083193.db2.gz HNSKMXGUCNAFIT-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001387758019 988123221 /nfs/dbraw/zinc/12/32/21/988123221.db2.gz NZTYNCVOIBAAIH-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001387758019 988123224 /nfs/dbraw/zinc/12/32/24/988123224.db2.gz NZTYNCVOIBAAIH-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001388689121 988512938 /nfs/dbraw/zinc/51/29/38/988512938.db2.gz VBXDTOCLGQFWCE-SCRDCRAPSA-N 1 3 308.430 0.140 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001388702483 988524956 /nfs/dbraw/zinc/52/49/56/988524956.db2.gz IFLPHFSZIOKDIB-KPWCQOOUSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001388746263 988554929 /nfs/dbraw/zinc/55/49/29/988554929.db2.gz OHRHNWJCAOZONL-IHRRRGAJSA-N 1 3 310.442 0.090 20 0 DCADHO COCCN1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC001552434619 1015431755 /nfs/dbraw/zinc/43/17/55/1015431755.db2.gz SMMLGBFDLQIDOM-LBPRGKRZSA-N 1 3 321.425 0.327 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001450929161 1015458954 /nfs/dbraw/zinc/45/89/54/1015458954.db2.gz GOFKDWQAEVATLT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001450929161 1015458955 /nfs/dbraw/zinc/45/89/55/1015458955.db2.gz GOFKDWQAEVATLT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CC[C@H](N2CCC3(C[C@H]3NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001389521848 989359305 /nfs/dbraw/zinc/35/93/05/989359305.db2.gz JFZQNCPMLWCOFK-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CC[C@@H](C)C1 ZINC001389526855 989363668 /nfs/dbraw/zinc/36/36/68/989363668.db2.gz WJWKKSNUUBRVHY-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001389748847 989539716 /nfs/dbraw/zinc/53/97/16/989539716.db2.gz PFWGUVWEYIMEGK-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001389784197 989570985 /nfs/dbraw/zinc/57/09/85/989570985.db2.gz WSFOHJQZTQAINZ-HNNXBMFYSA-N 1 3 312.458 0.099 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001389829078 989618115 /nfs/dbraw/zinc/61/81/15/989618115.db2.gz UTVHAHPVAWVZLX-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001389878550 989657153 /nfs/dbraw/zinc/65/71/53/989657153.db2.gz FGSWHECSTOVPPG-RAIGVLPGSA-N 1 3 320.441 0.753 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001390006564 989741894 /nfs/dbraw/zinc/74/18/94/989741894.db2.gz NXVINSBIHCUKGN-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001390088556 989810075 /nfs/dbraw/zinc/81/00/75/989810075.db2.gz YXIWDQIWTMFGBE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001390088556 989810077 /nfs/dbraw/zinc/81/00/77/989810077.db2.gz YXIWDQIWTMFGBE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001390602526 990236912 /nfs/dbraw/zinc/23/69/12/990236912.db2.gz FMUMGFKRCUAEHH-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001390671138 990291106 /nfs/dbraw/zinc/29/11/06/990291106.db2.gz KCZCQBTUVZTSAL-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001391224082 990683548 /nfs/dbraw/zinc/68/35/48/990683548.db2.gz CSKUJMGOYYFEQZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)[C@H]2C1 ZINC001553035361 1015593857 /nfs/dbraw/zinc/59/38/57/1015593857.db2.gz WQDIGSXTYZUWMK-CJNGLKHVSA-N 1 3 307.438 0.650 20 0 DCADHO CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCCN1CC ZINC001391750133 991157556 /nfs/dbraw/zinc/15/75/56/991157556.db2.gz BVIBLWKEWQFKKL-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CN(CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001391812542 991196636 /nfs/dbraw/zinc/19/66/36/991196636.db2.gz LEOGGYRQODZQFT-MRXNPFEDSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cncn1C ZINC001392479057 991983711 /nfs/dbraw/zinc/98/37/11/991983711.db2.gz DWQQHIOSCJBFIW-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cncn1C ZINC001392479057 991983716 /nfs/dbraw/zinc/98/37/16/991983716.db2.gz DWQQHIOSCJBFIW-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001392499780 992010753 /nfs/dbraw/zinc/01/07/53/992010753.db2.gz DLXYQTLBIGTNNI-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001392611840 992158764 /nfs/dbraw/zinc/15/87/64/992158764.db2.gz ZSSATJFIQXYTGH-WFASDCNBSA-N 1 3 307.442 0.966 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001392724052 992320052 /nfs/dbraw/zinc/32/00/52/992320052.db2.gz FCSCQYYMTORIAV-UONOGXRCSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001392724052 992320066 /nfs/dbraw/zinc/32/00/66/992320066.db2.gz FCSCQYYMTORIAV-UONOGXRCSA-N 1 3 322.457 0.542 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392731024 992335969 /nfs/dbraw/zinc/33/59/69/992335969.db2.gz VRICNJWRWSPJKP-KGLIPLIRSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392731024 992335978 /nfs/dbraw/zinc/33/59/78/992335978.db2.gz VRICNJWRWSPJKP-KGLIPLIRSA-N 1 3 307.442 0.351 20 0 DCADHO CC(C)N1CC[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001392790393 992399902 /nfs/dbraw/zinc/39/99/02/992399902.db2.gz XPFAXAOQLDVEQX-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001392883258 992493341 /nfs/dbraw/zinc/49/33/41/992493341.db2.gz KFFIPYFREIWZFJ-IHRRRGAJSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001392883258 992493346 /nfs/dbraw/zinc/49/33/46/992493346.db2.gz KFFIPYFREIWZFJ-IHRRRGAJSA-N 1 3 312.458 0.145 20 0 DCADHO CN1CC[C@@H](N2CC[C@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)C1=O ZINC001392990054 992605940 /nfs/dbraw/zinc/60/59/40/992605940.db2.gz CVAVULCOYJOGQX-PBHICJAKSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+]1CCCCC1 ZINC001393051742 992651268 /nfs/dbraw/zinc/65/12/68/992651268.db2.gz HUKLIJIRYJXTPG-GOEBONIOSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001393226009 992757690 /nfs/dbraw/zinc/75/76/90/992757690.db2.gz WHXJOTNNEMHJOT-KBPBESRZSA-N 1 3 313.442 0.107 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393249661 992789074 /nfs/dbraw/zinc/78/90/74/992789074.db2.gz JWXAHTWXYLYRGA-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393249661 992789082 /nfs/dbraw/zinc/78/90/82/992789082.db2.gz JWXAHTWXYLYRGA-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001393396540 992942927 /nfs/dbraw/zinc/94/29/27/992942927.db2.gz KYZOTOJGZSKLJO-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001393403441 992948473 /nfs/dbraw/zinc/94/84/73/992948473.db2.gz ZKAWNDHBLIJOTP-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N2CCC2)CCC1)N(C)C ZINC001393566113 993088263 /nfs/dbraw/zinc/08/82/63/993088263.db2.gz JNDXAFPZJVJLSP-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001393599366 993115366 /nfs/dbraw/zinc/11/53/66/993115366.db2.gz XMHWJJOYTYSQBR-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001393804216 993266468 /nfs/dbraw/zinc/26/64/68/993266468.db2.gz KNXCZDPUDPWEBZ-QWHCGFSZSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)N(C)C ZINC001394036757 993424056 /nfs/dbraw/zinc/42/40/56/993424056.db2.gz XSYDESZJDURSPJ-ZDUSSCGKSA-N 1 3 300.447 0.132 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001394342436 993634428 /nfs/dbraw/zinc/63/44/28/993634428.db2.gz CNOSBUVOXGOFSD-OWCLPIDISA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001394342436 993634433 /nfs/dbraw/zinc/63/44/33/993634433.db2.gz CNOSBUVOXGOFSD-OWCLPIDISA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001394390328 993673363 /nfs/dbraw/zinc/67/33/63/993673363.db2.gz KGNWXGNIOIKKHC-GBOPCIDUSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)NCC(N)=O ZINC001394551774 993822762 /nfs/dbraw/zinc/82/27/62/993822762.db2.gz WZKIXWUVMIDYRT-LBPRGKRZSA-N 1 3 306.410 0.284 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001399948169 993971753 /nfs/dbraw/zinc/97/17/53/993971753.db2.gz MJUBGHQBOCHJDF-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001399948169 993971763 /nfs/dbraw/zinc/97/17/63/993971763.db2.gz MJUBGHQBOCHJDF-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC/C=C\c2ccccc2)C1 ZINC001394653641 993974710 /nfs/dbraw/zinc/97/47/10/993974710.db2.gz BKGYSUWLPOKEDE-YZNPXCOXSA-N 1 3 317.433 0.718 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC/C=C\c2ccccc2)C1 ZINC001394653641 993974721 /nfs/dbraw/zinc/97/47/21/993974721.db2.gz BKGYSUWLPOKEDE-YZNPXCOXSA-N 1 3 317.433 0.718 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001394655724 993976695 /nfs/dbraw/zinc/97/66/95/993976695.db2.gz WOQNOWXKYFVEFO-HOTGVXAUSA-N 1 3 307.438 0.902 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccnn2C)C1)N(C)C ZINC001399959499 993987681 /nfs/dbraw/zinc/98/76/81/993987681.db2.gz XZJZEAPSZVGRDU-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccnn2C)C1)N(C)C ZINC001399959499 993987690 /nfs/dbraw/zinc/98/76/90/993987690.db2.gz XZJZEAPSZVGRDU-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C[C@@H]1C ZINC001394672794 994004960 /nfs/dbraw/zinc/00/49/60/994004960.db2.gz SIZKBWYQWFEIOA-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)C1CC[NH+](C)CC1 ZINC001400016243 994057107 /nfs/dbraw/zinc/05/71/07/994057107.db2.gz WEJFWBGDJMEFPE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+][C@@H]2CCNC2=O)C(C)(C)C)CCC1 ZINC001394821842 994187179 /nfs/dbraw/zinc/18/71/79/994187179.db2.gz MMLZPUWEECDFQP-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C(C)(C)C)N(C)C ZINC001394834426 994195318 /nfs/dbraw/zinc/19/53/18/994195318.db2.gz KNEOCXZPMCRGQJ-VXGBXAGGSA-N 1 3 300.447 0.193 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001400221205 994300134 /nfs/dbraw/zinc/30/01/34/994300134.db2.gz FOPWZNQXHYUHDB-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001400221205 994300143 /nfs/dbraw/zinc/30/01/43/994300143.db2.gz FOPWZNQXHYUHDB-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001400622906 994718353 /nfs/dbraw/zinc/71/83/53/994718353.db2.gz DBVAMHSUWTVCKM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001400622906 994718359 /nfs/dbraw/zinc/71/83/59/994718359.db2.gz DBVAMHSUWTVCKM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001400622903 994719925 /nfs/dbraw/zinc/71/99/25/994719925.db2.gz DBVAMHSUWTVCKM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001400622903 994719935 /nfs/dbraw/zinc/71/99/35/994719935.db2.gz DBVAMHSUWTVCKM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001395587916 994781526 /nfs/dbraw/zinc/78/15/26/994781526.db2.gz ZMSJUQYPGAMWDM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001395587916 994781538 /nfs/dbraw/zinc/78/15/38/994781538.db2.gz ZMSJUQYPGAMWDM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001400865214 995020809 /nfs/dbraw/zinc/02/08/09/995020809.db2.gz VMIPELKCUYKRIJ-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001401088323 995164431 /nfs/dbraw/zinc/16/44/31/995164431.db2.gz AQIXGVLZYNGLTD-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001397176796 995843602 /nfs/dbraw/zinc/84/36/02/995843602.db2.gz YBJVFSNALHOOOO-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001507126009 1016004693 /nfs/dbraw/zinc/00/46/93/1016004693.db2.gz KLEYWYCWSUERLM-CHWSQXEVSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001397988157 996296325 /nfs/dbraw/zinc/29/63/25/996296325.db2.gz WAUGJLUWDWQKAO-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001398170570 996397638 /nfs/dbraw/zinc/39/76/38/996397638.db2.gz IJUXXIPQAOXPHV-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001398170570 996397641 /nfs/dbraw/zinc/39/76/41/996397641.db2.gz IJUXXIPQAOXPHV-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001398356698 996485338 /nfs/dbraw/zinc/48/53/38/996485338.db2.gz BYLBXSCETZTTEN-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](NCC(=O)N1CCCCC1)C1CC1 ZINC001398432186 996512154 /nfs/dbraw/zinc/51/21/54/996512154.db2.gz GAJOTGDMFIELSB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CC[C@@H](N[C@H](CNC(=O)CCC[NH+](C)C)C2CC2)C1=O ZINC001398429323 996512647 /nfs/dbraw/zinc/51/26/47/996512647.db2.gz ADVOFCLWXDMOJG-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H](NCC(N)=O)C2CC2)cc1 ZINC001398445648 996519435 /nfs/dbraw/zinc/51/94/35/996519435.db2.gz ZLHWZTXQGOAGNH-HNNXBMFYSA-N 1 3 318.421 0.332 20 0 DCADHO CCc1nc([C@@H](C)N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001398551893 996568956 /nfs/dbraw/zinc/56/89/56/996568956.db2.gz FRRQVFWRKUDHRC-IJLUTSLNSA-N 1 3 308.430 0.617 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001398581108 996586394 /nfs/dbraw/zinc/58/63/94/996586394.db2.gz RAOJKABEHRZQIP-HDJSIYSDSA-N 1 3 310.442 0.090 20 0 DCADHO CCc1nc([C@@H](C)N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001398618342 996606842 /nfs/dbraw/zinc/60/68/42/996606842.db2.gz FRRQVFWRKUDHRC-UTUOFQBUSA-N 1 3 308.430 0.617 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001502750061 1016053261 /nfs/dbraw/zinc/05/32/61/1016053261.db2.gz ABOSQIIDXQWKSL-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001502750061 1016053270 /nfs/dbraw/zinc/05/32/70/1016053270.db2.gz ABOSQIIDXQWKSL-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC001398828537 996705968 /nfs/dbraw/zinc/70/59/68/996705968.db2.gz LBKNNHWQYGYEBA-YONAWACDSA-N 1 3 321.465 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC001398828537 996705970 /nfs/dbraw/zinc/70/59/70/996705970.db2.gz LBKNNHWQYGYEBA-YONAWACDSA-N 1 3 321.465 0.800 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001399090158 996944226 /nfs/dbraw/zinc/94/42/26/996944226.db2.gz PRYXHISCJSVUTJ-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001399096055 996954098 /nfs/dbraw/zinc/95/40/98/996954098.db2.gz AQJSEFFWJVFESH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001399096055 996954109 /nfs/dbraw/zinc/95/41/09/996954109.db2.gz AQJSEFFWJVFESH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001399264075 997138752 /nfs/dbraw/zinc/13/87/52/997138752.db2.gz KYRNJTLTXTVIKK-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001399264075 997138755 /nfs/dbraw/zinc/13/87/55/997138755.db2.gz KYRNJTLTXTVIKK-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001404508564 997183869 /nfs/dbraw/zinc/18/38/69/997183869.db2.gz GYFOIZVKFBKBCZ-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001404573227 997248047 /nfs/dbraw/zinc/24/80/47/997248047.db2.gz GQWMXRYYAAUOHI-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001404573227 997248066 /nfs/dbraw/zinc/24/80/66/997248066.db2.gz GQWMXRYYAAUOHI-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)on1 ZINC001405695709 998477618 /nfs/dbraw/zinc/47/76/18/998477618.db2.gz DUZLFVHLUAOUBE-GFCCVEGCSA-N 1 3 324.425 0.867 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001405725277 998501583 /nfs/dbraw/zinc/50/15/83/998501583.db2.gz DCULLEQIVRWIJS-VXGBXAGGSA-N 1 3 320.441 0.612 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001405734518 998515291 /nfs/dbraw/zinc/51/52/91/998515291.db2.gz IKNHDELNGZXSQK-CHWSQXEVSA-N 1 3 320.437 0.578 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001507298499 1016230714 /nfs/dbraw/zinc/23/07/14/1016230714.db2.gz QCWHXZLEEHKZIF-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001507435866 1016325760 /nfs/dbraw/zinc/32/57/60/1016325760.db2.gz ZZVMVLMNWLAHPX-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCN1CCCC1=O ZINC001505621258 1016362811 /nfs/dbraw/zinc/36/28/11/1016362811.db2.gz FJKVCPQSHDMRTC-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505632589 1016379465 /nfs/dbraw/zinc/37/94/65/1016379465.db2.gz MEXUAXHTZUBSHZ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001418428196 1000211891 /nfs/dbraw/zinc/21/18/91/1000211891.db2.gz GTWNAWYUYQLGKV-GFCCVEGCSA-N 1 3 321.425 0.367 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC2(CN(CCO)C2)CC1 ZINC001401202492 1000266643 /nfs/dbraw/zinc/26/66/43/1000266643.db2.gz ZMOQQSAZJPVEAN-UHFFFAOYSA-N 1 3 309.454 0.779 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401257940 1000315296 /nfs/dbraw/zinc/31/52/96/1000315296.db2.gz SNIPOTHFAWJHAI-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001401267651 1000321589 /nfs/dbraw/zinc/32/15/89/1000321589.db2.gz VSHWXOGNVWFQCV-ZDUSSCGKSA-N 1 3 322.457 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001401295193 1000335719 /nfs/dbraw/zinc/33/57/19/1000335719.db2.gz GOLUPCNRQRLRSU-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001418633503 1000409990 /nfs/dbraw/zinc/40/99/90/1000409990.db2.gz YMJZAIIWHVWKLR-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001418732118 1000480712 /nfs/dbraw/zinc/48/07/12/1000480712.db2.gz INHJCVDHBQVKNK-GUTXKFCHSA-N 1 3 322.457 0.530 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001401595873 1000531324 /nfs/dbraw/zinc/53/13/24/1000531324.db2.gz ONGZZVPLGOPMGH-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC(C)(C)C ZINC001418810999 1000539654 /nfs/dbraw/zinc/53/96/54/1000539654.db2.gz ICWMYQBYYNGMOB-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001418811936 1000541633 /nfs/dbraw/zinc/54/16/33/1000541633.db2.gz RYLOYUNODQEVCW-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001418811936 1000541637 /nfs/dbraw/zinc/54/16/37/1000541637.db2.gz RYLOYUNODQEVCW-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001418891097 1000595372 /nfs/dbraw/zinc/59/53/72/1000595372.db2.gz NGKZMMQVUGAOTH-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001418891097 1000595379 /nfs/dbraw/zinc/59/53/79/1000595379.db2.gz NGKZMMQVUGAOTH-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001418894747 1000597249 /nfs/dbraw/zinc/59/72/49/1000597249.db2.gz ILTSPZKRRLMJJJ-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001401699569 1000637791 /nfs/dbraw/zinc/63/77/91/1000637791.db2.gz MLGMBYBWWINRHZ-WDEREUQCSA-N 1 3 308.430 0.610 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001401706076 1000645703 /nfs/dbraw/zinc/64/57/03/1000645703.db2.gz YDPYLULLLJBQQJ-MELADBBJSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNCC(=O)N(C)C)CC1 ZINC001401709152 1000646573 /nfs/dbraw/zinc/64/65/73/1000646573.db2.gz USICUSDOSZALFO-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCN(C(C)C)C1=O ZINC001401709248 1000647066 /nfs/dbraw/zinc/64/70/66/1000647066.db2.gz BWYDJBZLWQICNS-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCN(C(C)C)C1=O ZINC001401709248 1000647068 /nfs/dbraw/zinc/64/70/68/1000647068.db2.gz BWYDJBZLWQICNS-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCCNC(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001401863807 1000798893 /nfs/dbraw/zinc/79/88/93/1000798893.db2.gz HDRGQMXYLQJEAT-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001401875845 1000808984 /nfs/dbraw/zinc/80/89/84/1000808984.db2.gz RPDCXDCXZDMOJW-OAHLLOKOSA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001419193060 1000867984 /nfs/dbraw/zinc/86/79/84/1000867984.db2.gz DPJDMOUNMWWRCH-DZGCQCFKSA-N 1 3 322.453 0.091 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402047070 1000970892 /nfs/dbraw/zinc/97/08/92/1000970892.db2.gz AZCRKEHJFNMBII-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402047070 1000970896 /nfs/dbraw/zinc/97/08/96/1000970896.db2.gz AZCRKEHJFNMBII-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCCNC1=O ZINC001419320089 1000974708 /nfs/dbraw/zinc/97/47/08/1000974708.db2.gz PPPDLWHDYIIJFD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402065694 1000988985 /nfs/dbraw/zinc/98/89/85/1000988985.db2.gz YORACHZOODEQHW-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001402065694 1000988992 /nfs/dbraw/zinc/98/89/92/1000988992.db2.gz YORACHZOODEQHW-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001419428097 1001042928 /nfs/dbraw/zinc/04/29/28/1001042928.db2.gz BKJZGDJRNZZELE-SHTZXODSSA-N 1 3 322.457 0.472 20 0 DCADHO Cn1ccc(CN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001402150890 1001065439 /nfs/dbraw/zinc/06/54/39/1001065439.db2.gz XETNYWVECLZBKC-KRWDZBQOSA-N 1 3 320.437 0.418 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001419476321 1001082708 /nfs/dbraw/zinc/08/27/08/1001082708.db2.gz QPJUQJKCJZWDML-OKILXGFUSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC[C@H](C)F)C1 ZINC001402323281 1001216139 /nfs/dbraw/zinc/21/61/39/1001216139.db2.gz VAVGNXBKOPXADP-ZFWWWQNUSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC[C@H](C)F)C1 ZINC001402323281 1001216141 /nfs/dbraw/zinc/21/61/41/1001216141.db2.gz VAVGNXBKOPXADP-ZFWWWQNUSA-N 1 3 303.422 0.628 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001402409768 1001284617 /nfs/dbraw/zinc/28/46/17/1001284617.db2.gz LBXDRCXMWDFZND-ZBFHGGJFSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCN1CCCC1=O ZINC001419778494 1001301576 /nfs/dbraw/zinc/30/15/76/1001301576.db2.gz QHHMAZFHVHUMJX-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001402478382 1001346760 /nfs/dbraw/zinc/34/67/60/1001346760.db2.gz QIEXOKAHXLEHIK-HDJSIYSDSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001402482672 1001350798 /nfs/dbraw/zinc/35/07/98/1001350798.db2.gz PWYVQRAEONZRDN-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(CCNC(=O)C2CC2)C1 ZINC001402664603 1001464341 /nfs/dbraw/zinc/46/43/41/1001464341.db2.gz KJHJRRLNRUYOLV-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCn2cccn2)[C@@H](C)C1 ZINC001402769497 1001495503 /nfs/dbraw/zinc/49/55/03/1001495503.db2.gz IZCVIUBHKMGMCE-GJZGRUSLSA-N 1 3 307.442 0.660 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001402772289 1001496483 /nfs/dbraw/zinc/49/64/83/1001496483.db2.gz OYKRGFSEISVQMD-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001402775554 1001497192 /nfs/dbraw/zinc/49/71/92/1001497192.db2.gz AMERECHGPOLRQS-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001402775554 1001497193 /nfs/dbraw/zinc/49/71/93/1001497193.db2.gz AMERECHGPOLRQS-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C1CC1 ZINC001402779145 1001498245 /nfs/dbraw/zinc/49/82/45/1001498245.db2.gz OXIPWYFCFTXKEW-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001402865798 1001544326 /nfs/dbraw/zinc/54/43/26/1001544326.db2.gz YLVYWZQLQDQDKS-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCn1cncn1 ZINC001403165053 1001701911 /nfs/dbraw/zinc/70/19/11/1001701911.db2.gz DTZICJZKKIZTNY-ZDUSSCGKSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001403243392 1001757479 /nfs/dbraw/zinc/75/74/79/1001757479.db2.gz IHFRLLLMLKYGAB-ZDUSSCGKSA-N 1 3 321.425 0.257 20 0 DCADHO CCCC[C@@H](CNCC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001403270314 1001771341 /nfs/dbraw/zinc/77/13/41/1001771341.db2.gz LYDQSHHGMJUPBX-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO CCCC[C@H](CNCC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001403270322 1001772071 /nfs/dbraw/zinc/77/20/71/1001772071.db2.gz LYDQSHHGMJUPBX-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CN(C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001403273782 1001773805 /nfs/dbraw/zinc/77/38/05/1001773805.db2.gz XZXLTXNUTFRXDL-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO Cn1cc(CN[C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001403283567 1001778226 /nfs/dbraw/zinc/77/82/26/1001778226.db2.gz OCRLAABOKLINKE-QWHCGFSZSA-N 1 3 308.430 0.284 20 0 DCADHO Cc1noc(CCCN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001420050641 1001788086 /nfs/dbraw/zinc/78/80/86/1001788086.db2.gz NKAOPPCXOBGADH-CQSZACIVSA-N 1 3 323.441 0.653 20 0 DCADHO Cc1noc(CCCN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001420050641 1001788094 /nfs/dbraw/zinc/78/80/94/1001788094.db2.gz NKAOPPCXOBGADH-CQSZACIVSA-N 1 3 323.441 0.653 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001403330398 1001825943 /nfs/dbraw/zinc/82/59/43/1001825943.db2.gz WDCOJTOQROBHBO-HNNXBMFYSA-N 1 3 322.457 0.541 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001403330398 1001825960 /nfs/dbraw/zinc/82/59/60/1001825960.db2.gz WDCOJTOQROBHBO-HNNXBMFYSA-N 1 3 322.457 0.541 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001424667558 1001900614 /nfs/dbraw/zinc/90/06/14/1001900614.db2.gz COUSUBMJILDDCN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420125142 1001913634 /nfs/dbraw/zinc/91/36/34/1001913634.db2.gz IEOLHXPHMFLZIB-VNQPRFMTSA-N 1 3 320.437 0.297 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420125142 1001913643 /nfs/dbraw/zinc/91/36/43/1001913643.db2.gz IEOLHXPHMFLZIB-VNQPRFMTSA-N 1 3 320.437 0.297 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCc2ccccc2F)CC1 ZINC001420162478 1001958212 /nfs/dbraw/zinc/95/82/12/1001958212.db2.gz ZLUBJBIWOGFVOJ-CQSZACIVSA-N 1 3 323.412 0.734 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001403462869 1001992238 /nfs/dbraw/zinc/99/22/38/1001992238.db2.gz WKRSHLBFMVJLQZ-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001403462869 1001992246 /nfs/dbraw/zinc/99/22/46/1001992246.db2.gz WKRSHLBFMVJLQZ-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO Cc1ncc(CNC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)s1 ZINC001420189372 1002005177 /nfs/dbraw/zinc/00/51/77/1002005177.db2.gz DDWBSVUATNDLMP-LBPRGKRZSA-N 1 3 324.450 0.114 20 0 DCADHO CC(C)OCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507729715 1016556016 /nfs/dbraw/zinc/55/60/16/1016556016.db2.gz YMNWOUUJSOMYBG-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)OCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507729715 1016556025 /nfs/dbraw/zinc/55/60/25/1016556025.db2.gz YMNWOUUJSOMYBG-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420233355 1002087379 /nfs/dbraw/zinc/08/73/79/1002087379.db2.gz DDWMIDGYMFYUSM-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420233355 1002087393 /nfs/dbraw/zinc/08/73/93/1002087393.db2.gz DDWMIDGYMFYUSM-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001424860584 1002102356 /nfs/dbraw/zinc/10/23/56/1002102356.db2.gz UZUWOANHLZHKGP-HSBZDZAISA-N 1 3 324.469 0.704 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1)N(C)C ZINC001424867331 1002106855 /nfs/dbraw/zinc/10/68/55/1002106855.db2.gz NCXOHQXMUNIVPO-PIMMBPRGSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420424649 1002402448 /nfs/dbraw/zinc/40/24/48/1002402448.db2.gz ZGNYZGQOIHVYJC-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420424649 1002402456 /nfs/dbraw/zinc/40/24/56/1002402456.db2.gz ZGNYZGQOIHVYJC-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420465581 1002458001 /nfs/dbraw/zinc/45/80/01/1002458001.db2.gz AYRXRSPGLXULFB-NWDGAFQWSA-N 1 3 300.447 0.193 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N2CCCC2)CN1C(=O)CCC[NH+](C)C ZINC001403742199 1002453061 /nfs/dbraw/zinc/45/30/61/1002453061.db2.gz LKILLPHEIBSHQZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001420475575 1002470952 /nfs/dbraw/zinc/47/09/52/1002470952.db2.gz GGBFQSMXUXMXQS-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)C(C)(C)C1)N(C)C ZINC001403832525 1002596347 /nfs/dbraw/zinc/59/63/47/1002596347.db2.gz VVCVPCYXPJYTGB-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001508102436 1016653853 /nfs/dbraw/zinc/65/38/53/1016653853.db2.gz GWYKMCGPCMRPBO-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001403962132 1002805007 /nfs/dbraw/zinc/80/50/07/1002805007.db2.gz HBAPWVLQEZNAPW-KBPBESRZSA-N 1 3 324.469 0.195 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C)C(N)=O ZINC001403968607 1002816897 /nfs/dbraw/zinc/81/68/97/1002816897.db2.gz GDVVCAHWCKREJS-QWHCGFSZSA-N 1 3 314.474 0.711 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001420739434 1002898543 /nfs/dbraw/zinc/89/85/43/1002898543.db2.gz GBLQGKXTSBQDRO-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](CN[C@@H](C)C(N)=O)C2CC2)CC1 ZINC001420785296 1002945809 /nfs/dbraw/zinc/94/58/09/1002945809.db2.gz SQAKQODJNHEFTB-SWLSCSKDSA-N 1 3 324.469 0.465 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)n1 ZINC001425691595 1002962863 /nfs/dbraw/zinc/96/28/63/1002962863.db2.gz GWMHDSJDXAGZQF-ZDUSSCGKSA-N 1 3 324.473 0.672 20 0 DCADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CC(=O)NC ZINC001420808025 1002968928 /nfs/dbraw/zinc/96/89/28/1002968928.db2.gz UUXKUHVTXSVGHC-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001404082819 1002988071 /nfs/dbraw/zinc/98/80/71/1002988071.db2.gz UQIROEVMONXSSM-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001420888588 1003092276 /nfs/dbraw/zinc/09/22/76/1003092276.db2.gz UBHGOYCKGNANQX-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405855694 1003143570 /nfs/dbraw/zinc/14/35/70/1003143570.db2.gz ZPSDHZAUMZNBMG-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCc2ccc(CF)cc2)C1 ZINC001425838048 1003167861 /nfs/dbraw/zinc/16/78/61/1003167861.db2.gz KNSFYBGBWCUIRQ-CVEARBPZSA-N 1 3 323.412 0.675 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCc2ccc(CF)cc2)C1 ZINC001425838048 1003167863 /nfs/dbraw/zinc/16/78/63/1003167863.db2.gz KNSFYBGBWCUIRQ-CVEARBPZSA-N 1 3 323.412 0.675 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1 ZINC001420954926 1003172961 /nfs/dbraw/zinc/17/29/61/1003172961.db2.gz QGAYXBAABDHWSB-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1 ZINC001420954926 1003172966 /nfs/dbraw/zinc/17/29/66/1003172966.db2.gz QGAYXBAABDHWSB-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NCC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001425887069 1003224357 /nfs/dbraw/zinc/22/43/57/1003224357.db2.gz CXTROOOOHUFPES-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001425952415 1003279824 /nfs/dbraw/zinc/27/98/24/1003279824.db2.gz IOYMLGZNCPMJSZ-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001421114284 1003332212 /nfs/dbraw/zinc/33/22/12/1003332212.db2.gz DVPMIPJMGQRTCJ-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001421127481 1003357591 /nfs/dbraw/zinc/35/75/91/1003357591.db2.gz QBAQGUVLZCKINH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1CCc2ncnn21)C(=O)[C@H]1CCCN1C ZINC001406124474 1003392720 /nfs/dbraw/zinc/39/27/20/1003392720.db2.gz KZZLWDVSKVTBCK-ZIAGYGMSSA-N 1 3 320.441 0.250 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)[C@H]1CCCN1C ZINC001406124474 1003392728 /nfs/dbraw/zinc/39/27/28/1003392728.db2.gz KZZLWDVSKVTBCK-ZIAGYGMSSA-N 1 3 320.441 0.250 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C)CC(C)(C)C ZINC001426132580 1003457772 /nfs/dbraw/zinc/45/77/72/1003457772.db2.gz AQINEBJZLITZQA-GFCCVEGCSA-N 1 3 314.474 0.570 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001421275953 1003497073 /nfs/dbraw/zinc/49/70/73/1003497073.db2.gz SVBZJZWPDFKEAF-CQSZACIVSA-N 1 3 307.442 0.495 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001421275953 1003497075 /nfs/dbraw/zinc/49/70/75/1003497075.db2.gz SVBZJZWPDFKEAF-CQSZACIVSA-N 1 3 307.442 0.495 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001406248642 1003523902 /nfs/dbraw/zinc/52/39/02/1003523902.db2.gz PGDBJMRPDOHPCL-STQMWFEESA-N 1 3 321.412 0.685 20 0 DCADHO Cc1noc(CCCN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)n1 ZINC001421315679 1003534267 /nfs/dbraw/zinc/53/42/67/1003534267.db2.gz XRURTSOHKVWFET-CQSZACIVSA-N 1 3 323.441 0.795 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)cc1 ZINC001406309080 1003591090 /nfs/dbraw/zinc/59/10/90/1003591090.db2.gz RUQRWSWPIJLGGC-OAHLLOKOSA-N 1 3 311.401 0.733 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001406318013 1003600146 /nfs/dbraw/zinc/60/01/46/1003600146.db2.gz BTQLQZLBCHJSJV-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CCN[C@@H]2CCNC2=O)C1 ZINC001406331470 1003611723 /nfs/dbraw/zinc/61/17/23/1003611723.db2.gz RPVHXLFYZPIBNW-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)CCN[C@@H]2CCNC2=O)C1 ZINC001406331470 1003611726 /nfs/dbraw/zinc/61/17/26/1003611726.db2.gz RPVHXLFYZPIBNW-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)CC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001406483341 1003755034 /nfs/dbraw/zinc/75/50/34/1003755034.db2.gz QDVKCSGXSBHSIT-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001406652424 1003970094 /nfs/dbraw/zinc/97/00/94/1003970094.db2.gz STRMWNMFPLVEDE-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001407188790 1004457061 /nfs/dbraw/zinc/45/70/61/1004457061.db2.gz FZGXZVCLNVALJO-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001407201806 1004465748 /nfs/dbraw/zinc/46/57/48/1004465748.db2.gz WPPYKBHQHUDRIO-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407201806 1004465756 /nfs/dbraw/zinc/46/57/56/1004465756.db2.gz WPPYKBHQHUDRIO-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001407512561 1004700615 /nfs/dbraw/zinc/70/06/15/1004700615.db2.gz SWTQSQIPFOPMTP-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001407542821 1004720929 /nfs/dbraw/zinc/72/09/29/1004720929.db2.gz XACCMMGHSBHZRP-XQLPTFJDSA-N 1 3 324.469 0.561 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001407542821 1004720935 /nfs/dbraw/zinc/72/09/35/1004720935.db2.gz XACCMMGHSBHZRP-XQLPTFJDSA-N 1 3 324.469 0.561 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001407567655 1004734326 /nfs/dbraw/zinc/73/43/26/1004734326.db2.gz YBRGKCGVTQQBNE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001407863450 1004908760 /nfs/dbraw/zinc/90/87/60/1004908760.db2.gz GMWDJMTUJKXWIX-ZFWWWQNUSA-N 1 3 313.442 0.323 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001408103529 1005042420 /nfs/dbraw/zinc/04/24/20/1005042420.db2.gz QLNZYGYCESYJPR-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001408139510 1005070585 /nfs/dbraw/zinc/07/05/85/1005070585.db2.gz CYHVOEKZYRUMPY-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001408213293 1005109680 /nfs/dbraw/zinc/10/96/80/1005109680.db2.gz XYFYGVABCODPOV-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001415008333 1005441282 /nfs/dbraw/zinc/44/12/82/1005441282.db2.gz CZOXBWODOJCNIS-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415191767 1005478997 /nfs/dbraw/zinc/47/89/97/1005478997.db2.gz SQLFIEKEVBVODD-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415191767 1005478999 /nfs/dbraw/zinc/47/89/99/1005478999.db2.gz SQLFIEKEVBVODD-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001415232833 1005486314 /nfs/dbraw/zinc/48/63/14/1005486314.db2.gz MCRGUMBTAYRKJA-LLVKDONJSA-N 1 3 309.414 0.223 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001415312318 1005500429 /nfs/dbraw/zinc/50/04/29/1005500429.db2.gz GBHCSZIXTNMSFK-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001415312318 1005500431 /nfs/dbraw/zinc/50/04/31/1005500431.db2.gz GBHCSZIXTNMSFK-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)CC[NH+](C)C ZINC001415950067 1005635107 /nfs/dbraw/zinc/63/51/07/1005635107.db2.gz PKAIPYLZOICCQQ-CYBMUJFWSA-N 1 3 321.425 0.211 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001416031569 1005652694 /nfs/dbraw/zinc/65/26/94/1005652694.db2.gz QRRNLAXJWUYKJH-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001416031569 1005652695 /nfs/dbraw/zinc/65/26/95/1005652695.db2.gz QRRNLAXJWUYKJH-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001417258490 1005812025 /nfs/dbraw/zinc/81/20/25/1005812025.db2.gz LECREZRFIGUXSD-UHFFFAOYSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](CC[NH+](C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001417628974 1005855056 /nfs/dbraw/zinc/85/50/56/1005855056.db2.gz NAMVLDDNIMWONB-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001417765371 1005886540 /nfs/dbraw/zinc/88/65/40/1005886540.db2.gz UHADHAHXTRYRFF-XBXGTLAGSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001417801773 1005893848 /nfs/dbraw/zinc/89/38/48/1005893848.db2.gz PKKSOORJUNKLKO-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001417824188 1005897071 /nfs/dbraw/zinc/89/70/71/1005897071.db2.gz UZOYGIRXAZJOEI-YVSFHVDLSA-N 1 3 323.481 0.879 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001417824188 1005897073 /nfs/dbraw/zinc/89/70/73/1005897073.db2.gz UZOYGIRXAZJOEI-YVSFHVDLSA-N 1 3 323.481 0.879 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001418008475 1005954299 /nfs/dbraw/zinc/95/42/99/1005954299.db2.gz GDFBCOYEUDRCRB-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001418008475 1005954300 /nfs/dbraw/zinc/95/43/00/1005954300.db2.gz GDFBCOYEUDRCRB-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)C1=O ZINC001418095849 1006031852 /nfs/dbraw/zinc/03/18/52/1006031852.db2.gz VCUQOTQCCZVBKX-GUTXKFCHSA-N 1 3 322.453 0.328 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001438709891 1006057649 /nfs/dbraw/zinc/05/76/49/1006057649.db2.gz CLPDKXOOCMMRHP-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001438721456 1006066830 /nfs/dbraw/zinc/06/68/30/1006066830.db2.gz LJXOWSGPDCVFIO-STQMWFEESA-N 1 3 322.457 0.816 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001438721456 1006066842 /nfs/dbraw/zinc/06/68/42/1006066842.db2.gz LJXOWSGPDCVFIO-STQMWFEESA-N 1 3 322.457 0.816 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C(=O)CN1CCCC1 ZINC001438727290 1006077213 /nfs/dbraw/zinc/07/72/13/1006077213.db2.gz ZWOUQGDLQHXFTO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001438731517 1006079199 /nfs/dbraw/zinc/07/91/99/1006079199.db2.gz FUIQMZHECRKKAF-HUUCEWRRSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001438808871 1006135909 /nfs/dbraw/zinc/13/59/09/1006135909.db2.gz SKAFELNHYPBHRN-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001418237608 1006222160 /nfs/dbraw/zinc/22/21/60/1006222160.db2.gz SYEFIFWDZGPPLD-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001418237608 1006222170 /nfs/dbraw/zinc/22/21/70/1006222170.db2.gz SYEFIFWDZGPPLD-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC(C)(C)C ZINC001418303328 1006334425 /nfs/dbraw/zinc/33/44/25/1006334425.db2.gz NKFUEVQDVRGKFA-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC(C)(C)C ZINC001418303328 1006334434 /nfs/dbraw/zinc/33/44/34/1006334434.db2.gz NKFUEVQDVRGKFA-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CCn1cc(Cl)cn1 ZINC001418312742 1006352435 /nfs/dbraw/zinc/35/24/35/1006352435.db2.gz JTCMTBVZULLIIE-LBPRGKRZSA-N 1 3 315.849 0.971 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418321561 1006369171 /nfs/dbraw/zinc/36/91/71/1006369171.db2.gz WXTDLTOMOKSEKH-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418321561 1006369186 /nfs/dbraw/zinc/36/91/86/1006369186.db2.gz WXTDLTOMOKSEKH-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418329709 1006386375 /nfs/dbraw/zinc/38/63/75/1006386375.db2.gz QMBGVKHMZXAPBD-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001418347543 1006412775 /nfs/dbraw/zinc/41/27/75/1006412775.db2.gz XUANTCYXVKHOAG-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CN1CCC(C)CC1 ZINC001439086369 1006457142 /nfs/dbraw/zinc/45/71/42/1006457142.db2.gz XJIZBRNIZBSHCB-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001436979329 1006497990 /nfs/dbraw/zinc/49/79/90/1006497990.db2.gz SMMOMAOLVCACHJ-BETUJISGSA-N 1 3 310.442 0.184 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001452010290 1006553382 /nfs/dbraw/zinc/55/33/82/1006553382.db2.gz FNHBUAJEKFBOMA-AWEZNQCLSA-N 1 3 323.441 0.469 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001437176582 1006676347 /nfs/dbraw/zinc/67/63/47/1006676347.db2.gz YCOBEJAIXPPHLO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001437209370 1006709091 /nfs/dbraw/zinc/70/90/91/1006709091.db2.gz QAXMTUVBYXWGMO-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437405631 1006928676 /nfs/dbraw/zinc/92/86/76/1006928676.db2.gz XMROGXNJVLKXMS-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001439772810 1007186935 /nfs/dbraw/zinc/18/69/35/1007186935.db2.gz KBBCZEQHCCPEMM-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001439772810 1007186938 /nfs/dbraw/zinc/18/69/38/1007186938.db2.gz KBBCZEQHCCPEMM-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001439783547 1007193537 /nfs/dbraw/zinc/19/35/37/1007193537.db2.gz IBEYDLKDRDKYEE-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439783547 1007193544 /nfs/dbraw/zinc/19/35/44/1007193544.db2.gz IBEYDLKDRDKYEE-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NCc1cnns1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440124203 1007503169 /nfs/dbraw/zinc/50/31/69/1007503169.db2.gz ROURCUJWLKWMTJ-NWDGAFQWSA-N 1 3 311.455 0.816 20 0 DCADHO C[C@@H](NCc1cnns1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440124205 1007504882 /nfs/dbraw/zinc/50/48/82/1007504882.db2.gz ROURCUJWLKWMTJ-VXGBXAGGSA-N 1 3 311.455 0.816 20 0 DCADHO C[N@H+](CCn1cncn1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437991855 1007570903 /nfs/dbraw/zinc/57/09/03/1007570903.db2.gz PPWQFQWXAYGGBV-OAHLLOKOSA-N 1 3 320.441 0.154 20 0 DCADHO C[N@@H+](CCn1cncn1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437991855 1007570914 /nfs/dbraw/zinc/57/09/14/1007570914.db2.gz PPWQFQWXAYGGBV-OAHLLOKOSA-N 1 3 320.441 0.154 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC1 ZINC001440471620 1007806423 /nfs/dbraw/zinc/80/64/23/1007806423.db2.gz IKBQTCXVHDVTIW-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001438339947 1007840454 /nfs/dbraw/zinc/84/04/54/1007840454.db2.gz STRYWAINGFZHAC-HIFRSBDPSA-N 1 3 307.442 0.746 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001438465471 1007924652 /nfs/dbraw/zinc/92/46/52/1007924652.db2.gz DWQRGQUEQRORBD-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001438465471 1007924664 /nfs/dbraw/zinc/92/46/64/1007924664.db2.gz DWQRGQUEQRORBD-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]([NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001440764660 1008004461 /nfs/dbraw/zinc/00/44/61/1008004461.db2.gz LPOZCOQIZRPAPM-PNESKVBLSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCCCC1)N(C)C ZINC001441110660 1008222544 /nfs/dbraw/zinc/22/25/44/1008222544.db2.gz WXQWHIATRCJHTI-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001441271491 1008299924 /nfs/dbraw/zinc/29/99/24/1008299924.db2.gz MTANNEXEGKNDJO-HUUCEWRRSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001441271491 1008299929 /nfs/dbraw/zinc/29/99/29/1008299929.db2.gz MTANNEXEGKNDJO-HUUCEWRRSA-N 1 3 305.426 0.356 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001441363621 1008333290 /nfs/dbraw/zinc/33/32/90/1008333290.db2.gz DGYSKGODPBJFJV-UMVBOHGHSA-N 1 3 324.469 0.478 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001453503611 1008537294 /nfs/dbraw/zinc/53/72/94/1008537294.db2.gz GTKFWXSXWBQYTA-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001453503611 1008537304 /nfs/dbraw/zinc/53/73/04/1008537304.db2.gz GTKFWXSXWBQYTA-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N2CCCCC2)CN1C(=O)CC[NH+](C)C ZINC001441841702 1008553974 /nfs/dbraw/zinc/55/39/74/1008553974.db2.gz REACVRPMSJMFLT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1n[nH]c(C)n1 ZINC001421422447 1008561713 /nfs/dbraw/zinc/56/17/13/1008561713.db2.gz OVQYJUHGYZNATR-ZIAGYGMSSA-N 1 3 320.441 0.439 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001441940943 1008683496 /nfs/dbraw/zinc/68/34/96/1008683496.db2.gz XKSNXLQLQGOGIZ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001441940943 1008683503 /nfs/dbraw/zinc/68/35/03/1008683503.db2.gz XKSNXLQLQGOGIZ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001421561199 1008728881 /nfs/dbraw/zinc/72/88/81/1008728881.db2.gz OEDNFMODAGYNET-PBHICJAKSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(CC)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001442054640 1008890421 /nfs/dbraw/zinc/89/04/21/1008890421.db2.gz SRBVWDIDFCFOQG-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442054640 1008890435 /nfs/dbraw/zinc/89/04/35/1008890435.db2.gz SRBVWDIDFCFOQG-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC3CC3)C2)CCC1 ZINC001442087974 1008950877 /nfs/dbraw/zinc/95/08/77/1008950877.db2.gz GHAAVIHHEHMZNS-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001421735192 1009007092 /nfs/dbraw/zinc/00/70/92/1009007092.db2.gz GIRJPWXBLUJUOO-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421743781 1009020062 /nfs/dbraw/zinc/02/00/62/1009020062.db2.gz DULDHXKCGVGZQS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421743781 1009020077 /nfs/dbraw/zinc/02/00/77/1009020077.db2.gz DULDHXKCGVGZQS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001442166215 1009041132 /nfs/dbraw/zinc/04/11/32/1009041132.db2.gz YZHWQVBHSYIKDS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001454337086 1009082557 /nfs/dbraw/zinc/08/25/57/1009082557.db2.gz WCEOEAOUKCCLOT-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001454337086 1009082571 /nfs/dbraw/zinc/08/25/71/1009082571.db2.gz WCEOEAOUKCCLOT-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001442233468 1009119233 /nfs/dbraw/zinc/11/92/33/1009119233.db2.gz MALGBFZJFANXGN-JXQTWKCFSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001433783900 1009176625 /nfs/dbraw/zinc/17/66/25/1009176625.db2.gz XBSGNYHDNOKBNU-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001421896974 1009226294 /nfs/dbraw/zinc/22/62/94/1009226294.db2.gz AUMCPWAFAJAPCN-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001421896974 1009226306 /nfs/dbraw/zinc/22/63/06/1009226306.db2.gz AUMCPWAFAJAPCN-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001421989255 1009366399 /nfs/dbraw/zinc/36/63/99/1009366399.db2.gz SLVXJZYWOYJDLW-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001434090623 1009548035 /nfs/dbraw/zinc/54/80/35/1009548035.db2.gz OUWNVRSYZNTVTJ-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001434090623 1009548050 /nfs/dbraw/zinc/54/80/50/1009548050.db2.gz OUWNVRSYZNTVTJ-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001422158274 1009579779 /nfs/dbraw/zinc/57/97/79/1009579779.db2.gz QHMZUVGOQDKUOI-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422357795 1009944053 /nfs/dbraw/zinc/94/40/53/1009944053.db2.gz GCCANUYRHJVGNF-IUODEOHRSA-N 1 3 303.422 0.674 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)CC[NH+]1CCCCC1 ZINC001422449505 1010103974 /nfs/dbraw/zinc/10/39/74/1010103974.db2.gz IDKHYJABMWOWGT-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422486884 1010162395 /nfs/dbraw/zinc/16/23/95/1010162395.db2.gz BYSLUBQODQRLPU-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422486884 1010162405 /nfs/dbraw/zinc/16/24/05/1010162405.db2.gz BYSLUBQODQRLPU-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001443150170 1010174263 /nfs/dbraw/zinc/17/42/63/1010174263.db2.gz VSCJLGJQDZYZAQ-CHWSQXEVSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443325860 1010335007 /nfs/dbraw/zinc/33/50/07/1010335007.db2.gz RHRKJWZLEXDDLJ-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCCCC1 ZINC001422587721 1010358475 /nfs/dbraw/zinc/35/84/75/1010358475.db2.gz YOFIEJPPKKHNAC-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001422694275 1010495006 /nfs/dbraw/zinc/49/50/06/1010495006.db2.gz CYXSOPKOJCVFFO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422730143 1010540826 /nfs/dbraw/zinc/54/08/26/1010540826.db2.gz NQSXCQZLJQYBGO-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422730143 1010540838 /nfs/dbraw/zinc/54/08/38/1010540838.db2.gz NQSXCQZLJQYBGO-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001443707909 1010599924 /nfs/dbraw/zinc/59/99/24/1010599924.db2.gz HWQQTVUVRPNPNN-KKUMJFAQSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001443707909 1010599932 /nfs/dbraw/zinc/59/99/32/1010599932.db2.gz HWQQTVUVRPNPNN-KKUMJFAQSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001443921189 1010749822 /nfs/dbraw/zinc/74/98/22/1010749822.db2.gz STOITWWLRORACW-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001443929660 1010755511 /nfs/dbraw/zinc/75/55/11/1010755511.db2.gz HMNBDYFSMSDEFY-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001444002626 1010796373 /nfs/dbraw/zinc/79/63/73/1010796373.db2.gz VFEFJJJLGRAFTJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001444175555 1010893011 /nfs/dbraw/zinc/89/30/11/1010893011.db2.gz VZOUXXSNKLQSPU-MGPQQGTHSA-N 1 3 324.469 0.622 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001423120482 1010904979 /nfs/dbraw/zinc/90/49/79/1010904979.db2.gz JFXBVKHPDBHTGI-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001423120482 1010904981 /nfs/dbraw/zinc/90/49/81/1010904981.db2.gz JFXBVKHPDBHTGI-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001444265328 1010929212 /nfs/dbraw/zinc/92/92/12/1010929212.db2.gz ZVZAEOSXGHBIPN-AWEZNQCLSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001444265328 1010929216 /nfs/dbraw/zinc/92/92/16/1010929216.db2.gz ZVZAEOSXGHBIPN-AWEZNQCLSA-N 1 3 324.469 0.515 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001423258866 1011023878 /nfs/dbraw/zinc/02/38/78/1011023878.db2.gz QRFSARXDTISFMQ-MRXNPFEDSA-N 1 3 319.449 0.904 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCCC1 ZINC001423459227 1011163408 /nfs/dbraw/zinc/16/34/08/1011163408.db2.gz YDMJDGSFQHRSGE-HIFRSBDPSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444780364 1011170622 /nfs/dbraw/zinc/17/06/22/1011170622.db2.gz VQSAERGIWGZFSP-HUUCEWRRSA-N 1 3 324.469 0.195 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423485973 1011181408 /nfs/dbraw/zinc/18/14/08/1011181408.db2.gz PEFUOZVMBPTZOC-GDBMZVCRSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423485973 1011181413 /nfs/dbraw/zinc/18/14/13/1011181413.db2.gz PEFUOZVMBPTZOC-GDBMZVCRSA-N 1 3 320.437 0.251 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001423489164 1011183026 /nfs/dbraw/zinc/18/30/26/1011183026.db2.gz CSIXIIHHAOSBGC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001423535370 1011226149 /nfs/dbraw/zinc/22/61/49/1011226149.db2.gz XQLYPVZERPNNOP-HNNXBMFYSA-N 1 3 322.457 0.531 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001423616603 1011350146 /nfs/dbraw/zinc/35/01/46/1011350146.db2.gz QPTYQOGODVASBB-STQMWFEESA-N 1 3 312.458 0.147 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001423616603 1011350159 /nfs/dbraw/zinc/35/01/59/1011350159.db2.gz QPTYQOGODVASBB-STQMWFEESA-N 1 3 312.458 0.147 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001534872258 1011711362 /nfs/dbraw/zinc/71/13/62/1011711362.db2.gz CPVYILQQYCSAOM-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001534872258 1011711369 /nfs/dbraw/zinc/71/13/69/1011711369.db2.gz CPVYILQQYCSAOM-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001534893910 1011716436 /nfs/dbraw/zinc/71/64/36/1011716436.db2.gz QJHHWVSMVLWWME-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001445428589 1011757355 /nfs/dbraw/zinc/75/73/55/1011757355.db2.gz YDPYLULLLJBQQJ-HZSPNIEDSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001445434610 1011768646 /nfs/dbraw/zinc/76/86/46/1011768646.db2.gz MFRJQXYWUFJUCL-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001445479577 1011807341 /nfs/dbraw/zinc/80/73/41/1011807341.db2.gz KUTYGVOXSPQJKN-ZYHUDNBSSA-N 1 3 317.397 0.134 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001432036010 1011895262 /nfs/dbraw/zinc/89/52/62/1011895262.db2.gz MBUZMOVCEJJLRC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001432036010 1011895278 /nfs/dbraw/zinc/89/52/78/1011895278.db2.gz MBUZMOVCEJJLRC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH2+]CC1CCN(C(=O)c2cnc([C@H]3CCCN3)nc2)CC1 ZINC001553358170 1011915738 /nfs/dbraw/zinc/91/57/38/1011915738.db2.gz MCPCKYHBWRDPOU-CQSZACIVSA-N 1 3 303.410 0.973 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001553444245 1011981089 /nfs/dbraw/zinc/98/10/89/1011981089.db2.gz KSOJHIFEZRERNA-NHIYQJMISA-N 1 3 308.426 0.291 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553448550 1011984540 /nfs/dbraw/zinc/98/45/40/1011984540.db2.gz XVQSHXPXCDHATL-LSDHHAIUSA-N 1 3 322.453 0.681 20 0 DCADHO [NH3+]CC1([C@H]2CCCCN2C(=O)NC[C@H]2CNCCO2)CCC1 ZINC001553502542 1012040218 /nfs/dbraw/zinc/04/02/18/1012040218.db2.gz KUBIWQMHXLCXMB-ZIAGYGMSSA-N 1 3 310.442 0.668 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001553504505 1012045961 /nfs/dbraw/zinc/04/59/61/1012045961.db2.gz PZTZLCWXXNCYQG-GDBMZVCRSA-N 1 3 324.469 0.786 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001445655334 1012071154 /nfs/dbraw/zinc/07/11/54/1012071154.db2.gz JZOVGNFJGIMSJF-ZDUSSCGKSA-N 1 3 320.437 0.720 20 0 DCADHO CC1(C)C[NH2+][C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553553939 1012101787 /nfs/dbraw/zinc/10/17/87/1012101787.db2.gz RGLRITLGEGEQEZ-KKUMJFAQSA-N 1 3 324.469 0.615 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1)[NH+](C)C ZINC001432262303 1012219437 /nfs/dbraw/zinc/21/94/37/1012219437.db2.gz DLCSOGZEQOEUNE-CJNGLKHVSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001424296630 1012326351 /nfs/dbraw/zinc/32/63/51/1012326351.db2.gz VJLZZXYLJGVLQF-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CN1C1CC1 ZINC001548555288 1012706508 /nfs/dbraw/zinc/70/65/08/1012706508.db2.gz OTNDFZYMONSCGH-RYUDHWBXSA-N 1 3 306.410 0.626 20 0 DCADHO O=C([C@H]1CNCc2ccccc21)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548586620 1012764547 /nfs/dbraw/zinc/76/45/47/1012764547.db2.gz NTYTTXSYPUPVJG-INIZCTEOSA-N 1 3 315.417 0.854 20 0 DCADHO CCN(CC)CC(=O)N[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001429969760 1013005794 /nfs/dbraw/zinc/00/57/94/1013005794.db2.gz PKRNFCWLBSBTBR-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001429969760 1013005810 /nfs/dbraw/zinc/00/58/10/1013005810.db2.gz PKRNFCWLBSBTBR-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H]2[NH2+]CC23CCCC3)CC1 ZINC001521187196 1017334265 /nfs/dbraw/zinc/33/42/65/1017334265.db2.gz HCLAGNOOZGQQJE-OAHLLOKOSA-N 1 3 308.470 0.662 20 0 DCADHO CN1CCN(CCCNC(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])CC1 ZINC001521502795 1017390336 /nfs/dbraw/zinc/39/03/36/1017390336.db2.gz BJXNQCDGSKOSEE-ZDUSSCGKSA-N 1 3 320.441 0.044 20 0 DCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001521642902 1017398489 /nfs/dbraw/zinc/39/84/89/1017398489.db2.gz DYALTBAVTHUWAR-CYBMUJFWSA-N 1 3 305.426 0.272 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001479571652 1017587351 /nfs/dbraw/zinc/58/73/51/1017587351.db2.gz DDGYEZBDIQMBSJ-ILXRZTDVSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001506897617 1017650977 /nfs/dbraw/zinc/65/09/77/1017650977.db2.gz RNPGTOPLLKQRAJ-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCn1nncc1CNC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001499266658 1017790945 /nfs/dbraw/zinc/79/09/45/1017790945.db2.gz IMMBYLKDMUXTLA-CQSZACIVSA-N 1 3 320.441 0.521 20 0 DCADHO CCn1nncc1CNC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001499266658 1017790957 /nfs/dbraw/zinc/79/09/57/1017790957.db2.gz IMMBYLKDMUXTLA-CQSZACIVSA-N 1 3 320.441 0.521 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)CCN1CCCC1=O ZINC001479838657 1017850226 /nfs/dbraw/zinc/85/02/26/1017850226.db2.gz DEOWPJQAKVKMPC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)CCN1CCCC1=O ZINC001479838657 1017850244 /nfs/dbraw/zinc/85/02/44/1017850244.db2.gz DEOWPJQAKVKMPC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383784 1018100873 /nfs/dbraw/zinc/10/08/73/1018100873.db2.gz MTJIWHLBEYLCQP-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497383784 1018100884 /nfs/dbraw/zinc/10/08/84/1018100884.db2.gz MTJIWHLBEYLCQP-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C[C@@H]1C ZINC001499851803 1018103502 /nfs/dbraw/zinc/10/35/02/1018103502.db2.gz BIKUPZCSTDGPNZ-KBPBESRZSA-N 1 3 322.457 0.626 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001499929696 1018142245 /nfs/dbraw/zinc/14/22/45/1018142245.db2.gz JXGKPQAGTXVZAQ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001499929696 1018142251 /nfs/dbraw/zinc/14/22/51/1018142251.db2.gz JXGKPQAGTXVZAQ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@@]23CCOC3)C1 ZINC001480173283 1018281535 /nfs/dbraw/zinc/28/15/35/1018281535.db2.gz DERSDIIVONECKB-QBYUYEEZSA-N 1 3 309.454 0.990 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCN(C)C1=O ZINC001495137394 1018341899 /nfs/dbraw/zinc/34/18/99/1018341899.db2.gz KKCUBLXMIFXLLR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(CCn3cncn3)C2)C1 ZINC001500279071 1018375676 /nfs/dbraw/zinc/37/56/76/1018375676.db2.gz AZBGEZADKCDVCM-ZBFHGGJFSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(CCn3cncn3)C2)C1 ZINC001500279071 1018375687 /nfs/dbraw/zinc/37/56/87/1018375687.db2.gz AZBGEZADKCDVCM-ZBFHGGJFSA-N 1 3 320.441 0.201 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001495302908 1018454655 /nfs/dbraw/zinc/45/46/55/1018454655.db2.gz LLPQTHKDZKRDND-RHSMWYFYSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001497927610 1018518848 /nfs/dbraw/zinc/51/88/48/1018518848.db2.gz YDQHCOUTKPYYTI-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001497927610 1018518856 /nfs/dbraw/zinc/51/88/56/1018518856.db2.gz YDQHCOUTKPYYTI-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CCCC[NH+](C)C ZINC001497964005 1018545894 /nfs/dbraw/zinc/54/58/94/1018545894.db2.gz FHKYTDQIRVIEOI-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497963590 1018546954 /nfs/dbraw/zinc/54/69/54/1018546954.db2.gz ZNEHUKONANNNPM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497963590 1018546965 /nfs/dbraw/zinc/54/69/65/1018546965.db2.gz ZNEHUKONANNNPM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983841 1018559735 /nfs/dbraw/zinc/55/97/35/1018559735.db2.gz NUKSFTCCLAOXQB-DGCLKSJQSA-N 1 3 308.430 0.152 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983841 1018559746 /nfs/dbraw/zinc/55/97/46/1018559746.db2.gz NUKSFTCCLAOXQB-DGCLKSJQSA-N 1 3 308.430 0.152 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001498133572 1018678603 /nfs/dbraw/zinc/67/86/03/1018678603.db2.gz XDNZFWHTOFDQCT-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001498132935 1018679982 /nfs/dbraw/zinc/67/99/82/1018679982.db2.gz TZNNOQSRGATVCV-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cc(CN[C@@H](C)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)on1 ZINC001480591582 1018688217 /nfs/dbraw/zinc/68/82/17/1018688217.db2.gz KOVLWWFDAZCWPS-JSGCOSHPSA-N 1 3 324.425 0.546 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cnn(C)c1 ZINC001480598214 1018695396 /nfs/dbraw/zinc/69/53/96/1018695396.db2.gz ZIMAYBJEIRSWCP-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001480681833 1018772963 /nfs/dbraw/zinc/77/29/63/1018772963.db2.gz AFNCKMVGVVLQCG-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)CN1CCCC1 ZINC001501161170 1018928626 /nfs/dbraw/zinc/92/86/26/1018928626.db2.gz BJDQWDNAOSBPFP-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCN(C)C(=O)CN1CCCC1 ZINC001501161170 1018928637 /nfs/dbraw/zinc/92/86/37/1018928637.db2.gz BJDQWDNAOSBPFP-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001496194816 1019154006 /nfs/dbraw/zinc/15/40/06/1019154006.db2.gz KVNRVKMKJWGKEZ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001496338252 1019252509 /nfs/dbraw/zinc/25/25/09/1019252509.db2.gz BMDFGKWAPRDZCW-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001498612113 1019266743 /nfs/dbraw/zinc/26/67/43/1019266743.db2.gz HAPATMXRGMEQPG-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CC1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC(N)=O)CC1 ZINC001496415568 1019298094 /nfs/dbraw/zinc/29/80/94/1019298094.db2.gz UHWYHKFVTIONFJ-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1)N1CCCC1 ZINC001501705548 1019400526 /nfs/dbraw/zinc/40/05/26/1019400526.db2.gz VXENUKCJQKYMOY-HDJSIYSDSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2ccnn2C)C2CC2)CC[N@@H+]1C ZINC001498758046 1019401956 /nfs/dbraw/zinc/40/19/56/1019401956.db2.gz FMVBQMPWKIDOGZ-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2ccnn2C)C2CC2)CC[N@H+]1C ZINC001498758046 1019401968 /nfs/dbraw/zinc/40/19/68/1019401968.db2.gz FMVBQMPWKIDOGZ-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO CCN(CC)CC(=O)N(CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496754389 1019607034 /nfs/dbraw/zinc/60/70/34/1019607034.db2.gz CKMDHKIGKXHCNN-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)N(CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496754389 1019607044 /nfs/dbraw/zinc/60/70/44/1019607044.db2.gz CKMDHKIGKXHCNN-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001493699742 1019642682 /nfs/dbraw/zinc/64/26/82/1019642682.db2.gz DIIRBMPFAXZRED-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001493699744 1019644050 /nfs/dbraw/zinc/64/40/50/1019644050.db2.gz DIIRBMPFAXZRED-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCO[C@H](CNCCF)C1 ZINC001502094863 1019710362 /nfs/dbraw/zinc/71/03/62/1019710362.db2.gz PBTLRMRPMGCBQJ-CQSZACIVSA-N 1 3 301.406 0.649 20 0 DCADHO O=C(NC[C@H](O)CNCc1cncs1)[C@@H]1C[NH+]2CCC1CC2 ZINC001496987711 1019887587 /nfs/dbraw/zinc/88/75/87/1019887587.db2.gz XTIKEMHPBZPVCT-TZMCWYRMSA-N 1 3 324.450 0.052 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)CCC1 ZINC001494065364 1019961032 /nfs/dbraw/zinc/96/10/32/1019961032.db2.gz MTUWECIVDFYSBQ-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494083071 1019968688 /nfs/dbraw/zinc/96/86/88/1019968688.db2.gz LZBUXEMEWBRPBZ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494083071 1019968697 /nfs/dbraw/zinc/96/86/97/1019968697.db2.gz LZBUXEMEWBRPBZ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410437954 529886358 /nfs/dbraw/zinc/88/63/58/529886358.db2.gz TUTNEDKQACKGPY-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000332635315 529956777 /nfs/dbraw/zinc/95/67/77/529956777.db2.gz QNZXSOVXFSFBRQ-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236840140 202033888 /nfs/dbraw/zinc/03/38/88/202033888.db2.gz DCUOJTGZWWCCNH-ZDUSSCGKSA-N 1 3 306.414 0.417 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000236951586 202090489 /nfs/dbraw/zinc/09/04/89/202090489.db2.gz HIMDWKWKDXZAKB-CVEARBPZSA-N 1 3 322.497 0.766 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)CC[N@@H+]1C ZINC000348000208 291131366 /nfs/dbraw/zinc/13/13/66/291131366.db2.gz GNMITHDJLYECGI-QWHCGFSZSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)CC[N@H+]1C ZINC000348000208 291131370 /nfs/dbraw/zinc/13/13/70/291131370.db2.gz GNMITHDJLYECGI-QWHCGFSZSA-N 1 3 310.442 0.138 20 0 DCADHO O=C1CCC(=O)N1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173951347 237167891 /nfs/dbraw/zinc/16/78/91/237167891.db2.gz LMKIODAZDRUNAM-UHFFFAOYSA-N 1 3 323.437 0.712 20 0 DCADHO CCN1CCN(CCC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000188680762 200286299 /nfs/dbraw/zinc/28/62/99/200286299.db2.gz ZUGPEDQFDWXRJT-UHFFFAOYSA-N 1 3 316.449 0.934 20 0 DCADHO C[NH2+]C[C@@](C)(O)CN1CCC(CCCN2CCOCC2)CC1 ZINC000566352043 291296646 /nfs/dbraw/zinc/29/66/46/291296646.db2.gz SOORUDGOZOZZCC-QGZVFWFLSA-N 1 3 313.486 0.781 20 0 DCADHO CNC[C@@](C)(O)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000566352043 291296648 /nfs/dbraw/zinc/29/66/48/291296648.db2.gz SOORUDGOZOZZCC-QGZVFWFLSA-N 1 3 313.486 0.781 20 0 DCADHO CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 ZINC000566800268 291323839 /nfs/dbraw/zinc/32/38/39/291323839.db2.gz WIKSWZFCGSLILW-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO Cn1ccc(N2CCC[C@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)n1 ZINC000420334010 240022120 /nfs/dbraw/zinc/02/21/20/240022120.db2.gz KTLCXJVVXLVFNG-ZNMIVQPWSA-N 1 3 317.437 0.847 20 0 DCADHO CCS(=O)(=O)NCCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333733 240022481 /nfs/dbraw/zinc/02/24/81/240022481.db2.gz IEWKWZIMJUWTBT-AWEZNQCLSA-N 1 3 303.472 0.780 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCC1 ZINC000423616555 240225861 /nfs/dbraw/zinc/22/58/61/240225861.db2.gz FWCIAQDUIWVFOU-ZDUSSCGKSA-N 1 3 310.442 0.269 20 0 DCADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(N(C)C)n1C ZINC000425376036 240337612 /nfs/dbraw/zinc/33/76/12/240337612.db2.gz DMQUZZLJGSTYBK-UHFFFAOYSA-N 1 3 308.474 0.555 20 0 DCADHO CCOCC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000567262270 291345857 /nfs/dbraw/zinc/34/58/57/291345857.db2.gz ITSLWMSJSFYMOZ-JYJNAYRXSA-N 1 3 300.443 0.741 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000567573776 291361854 /nfs/dbraw/zinc/36/18/54/291361854.db2.gz DSTWMBGWICNGNC-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000568294547 291422171 /nfs/dbraw/zinc/42/21/71/291422171.db2.gz VFZCLDSJFLRQAI-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000569746049 291494616 /nfs/dbraw/zinc/49/46/16/291494616.db2.gz WVBHWBUAAZKHIH-ZNMIVQPWSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000572122190 291549960 /nfs/dbraw/zinc/54/99/60/291549960.db2.gz ZBFHEPQHFDZGHB-MRXNPFEDSA-N 1 3 316.449 0.868 20 0 DCADHO [NH3+][C@H]1CCC[C@H](NCCN2CCN(c3ncccn3)CC2)C1 ZINC000572662661 291581888 /nfs/dbraw/zinc/58/18/88/291581888.db2.gz REPVKVOLKJTZDO-GJZGRUSLSA-N 1 3 304.442 0.458 20 0 DCADHO CC[NH+]1CCC(NC(=O)N(CCOC)CCN(C)C)CC1 ZINC000105084136 194071000 /nfs/dbraw/zinc/07/10/00/194071000.db2.gz AQJYWZGUKXSQOT-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000339428718 253082445 /nfs/dbraw/zinc/08/24/45/253082445.db2.gz KRPPDCHMEMKTFJ-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CC[N@H+]2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000339428718 253082446 /nfs/dbraw/zinc/08/24/46/253082446.db2.gz KRPPDCHMEMKTFJ-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339428718 253082448 /nfs/dbraw/zinc/08/24/48/253082448.db2.gz KRPPDCHMEMKTFJ-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339428718 253082449 /nfs/dbraw/zinc/08/24/49/253082449.db2.gz KRPPDCHMEMKTFJ-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339583421 253108664 /nfs/dbraw/zinc/10/86/64/253108664.db2.gz XTOMBULMIHFWBS-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000339583421 253108667 /nfs/dbraw/zinc/10/86/67/253108667.db2.gz XTOMBULMIHFWBS-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000339580568 253109030 /nfs/dbraw/zinc/10/90/30/253109030.db2.gz JPTAIKSRZKUSDW-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C[NH+]1CCCC1 ZINC000340767066 253300545 /nfs/dbraw/zinc/30/05/45/253300545.db2.gz JASFTKZIERTWHK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340787463 253303069 /nfs/dbraw/zinc/30/30/69/253303069.db2.gz AFTGZNIGWDJDDW-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340787463 253303075 /nfs/dbraw/zinc/30/30/75/253303075.db2.gz AFTGZNIGWDJDDW-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCN1C ZINC000341142643 253349124 /nfs/dbraw/zinc/34/91/24/253349124.db2.gz NQAJQWARWPQYBY-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000346404901 254046806 /nfs/dbraw/zinc/04/68/06/254046806.db2.gz BNQIPDCCOMZUHA-HZPDHXFCSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000346404901 254046808 /nfs/dbraw/zinc/04/68/08/254046808.db2.gz BNQIPDCCOMZUHA-HZPDHXFCSA-N 1 3 310.486 0.813 20 0 DCADHO Cc1[nH]nc2ncc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cc12 ZINC000347063693 254126047 /nfs/dbraw/zinc/12/60/47/254126047.db2.gz CMJAUXFTZGIFGT-CYBMUJFWSA-N 1 3 316.409 0.553 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC000347735640 254183776 /nfs/dbraw/zinc/18/37/76/254183776.db2.gz FWRTWRYPVBLSIW-CQSZACIVSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC000347735640 254183777 /nfs/dbraw/zinc/18/37/77/254183777.db2.gz FWRTWRYPVBLSIW-CQSZACIVSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000347735640 254183779 /nfs/dbraw/zinc/18/37/79/254183779.db2.gz FWRTWRYPVBLSIW-CQSZACIVSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000347735640 254183780 /nfs/dbraw/zinc/18/37/80/254183780.db2.gz FWRTWRYPVBLSIW-CQSZACIVSA-N 1 3 314.474 0.630 20 0 DCADHO Cc1nccn1CCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000348754996 254252036 /nfs/dbraw/zinc/25/20/36/254252036.db2.gz DUGOUEMEHIRUBJ-OAHLLOKOSA-N 1 3 307.442 0.901 20 0 DCADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000349693275 254293385 /nfs/dbraw/zinc/29/33/85/254293385.db2.gz MSAGYJKZRHFZOJ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCCN2C)CC1 ZINC000350055093 254308919 /nfs/dbraw/zinc/30/89/19/254308919.db2.gz ZYGMZSKMBBLCGD-AWEZNQCLSA-N 1 3 311.426 0.472 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351865050 254376161 /nfs/dbraw/zinc/37/61/61/254376161.db2.gz LSFMPXFONJZUKM-DTWKUNHWSA-N 1 3 310.320 0.434 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC1=O ZINC000247297796 285255470 /nfs/dbraw/zinc/25/54/70/285255470.db2.gz OMBLUNXDLHNSSQ-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417757686 262260901 /nfs/dbraw/zinc/26/09/01/262260901.db2.gz UHYNNSRANMWKPW-HNNXBMFYSA-N 1 3 300.447 0.644 20 0 DCADHO COC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000414187292 285398438 /nfs/dbraw/zinc/39/84/38/285398438.db2.gz IGXONQKDOGEZQP-INIZCTEOSA-N 1 3 311.470 0.798 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@H](C)C(=O)N(C)CC)CC[NH2+]CC1 ZINC000423070735 285664148 /nfs/dbraw/zinc/66/41/48/285664148.db2.gz NOHXTEQRIGXHKY-CHWSQXEVSA-N 1 3 313.442 0.764 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245382316 395927488 /nfs/dbraw/zinc/92/74/88/395927488.db2.gz IKLWYZRZFGYHRM-CABCVRRESA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245382316 395927490 /nfs/dbraw/zinc/92/74/90/395927490.db2.gz IKLWYZRZFGYHRM-CABCVRRESA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000121756721 395885399 /nfs/dbraw/zinc/88/53/99/395885399.db2.gz UZAOOEUXHZTEQT-UKRRQHHQSA-N 1 3 300.447 0.473 20 0 DCADHO CCOCCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000279018465 396147569 /nfs/dbraw/zinc/14/75/69/396147569.db2.gz OIUSWYHQXGMCRR-CYBMUJFWSA-N 1 3 321.425 0.281 20 0 DCADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN(C2CCC2)CC1 ZINC000279065996 396151222 /nfs/dbraw/zinc/15/12/22/396151222.db2.gz SWMMWQHUXUGFDT-LBPRGKRZSA-N 1 3 303.410 0.797 20 0 DCADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(C2CCC2)CC1 ZINC000279065989 396151255 /nfs/dbraw/zinc/15/12/55/396151255.db2.gz SWMMWQHUXUGFDT-GFCCVEGCSA-N 1 3 303.410 0.797 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000262967875 396195608 /nfs/dbraw/zinc/19/56/08/396195608.db2.gz XGJSESFZNRTYNF-OAHLLOKOSA-N 1 3 309.410 0.607 20 0 DCADHO CN(C)C/C=C/C(=O)NCC(C)(C)CNC(=O)/C=C/C[NH+](C)C ZINC000265614390 396330690 /nfs/dbraw/zinc/33/06/90/396330690.db2.gz CWBYCIVNCKQTGD-FIFLTTCUSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C/C=C/C(=O)N[C@H](CNC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000265686614 396336851 /nfs/dbraw/zinc/33/68/51/396336851.db2.gz XKCVNXQCNZLFIM-HZMBLAKVSA-N 1 3 322.453 0.233 20 0 DCADHO CN(C)C/C=C/C(=O)NC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000265686614 396336853 /nfs/dbraw/zinc/33/68/53/396336853.db2.gz XKCVNXQCNZLFIM-HZMBLAKVSA-N 1 3 322.453 0.233 20 0 DCADHO CN(C)CCNC(=O)c1ccc(C(=O)NCC[NH+](C)C)s1 ZINC000192460784 396431721 /nfs/dbraw/zinc/43/17/21/396431721.db2.gz VVDBWIOWNRKDPD-UHFFFAOYSA-N 1 3 312.439 0.331 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])C2)nn1 ZINC000580774132 396498877 /nfs/dbraw/zinc/49/88/77/396498877.db2.gz ZMGFTMAKVRWSBZ-CFVMTHIKSA-N 1 3 320.441 0.808 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC2(C)CC[NH2+]CC2)CCSC1 ZINC000516025328 396510158 /nfs/dbraw/zinc/51/01/58/396510158.db2.gz BXTWGAIYWSBFHG-AWEZNQCLSA-N 1 3 300.472 0.865 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCCCC1 ZINC000581777648 396583201 /nfs/dbraw/zinc/58/32/01/396583201.db2.gz HWKQEMIBCXTSSZ-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+]1CCC(C(=O)NCC(=O)NCCN2CCCCCC2)CC1 ZINC000562194542 396652160 /nfs/dbraw/zinc/65/21/60/396652160.db2.gz KWQZFFLPKXPTKI-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000584766049 396621522 /nfs/dbraw/zinc/62/15/22/396621522.db2.gz FEVKTUCDLVCWSQ-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000562988725 396690569 /nfs/dbraw/zinc/69/05/69/396690569.db2.gz AYGILMPBSYCWDB-BPKGMFCQSA-N 1 3 313.486 0.919 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@H](C)O1 ZINC000562988725 396690571 /nfs/dbraw/zinc/69/05/71/396690571.db2.gz AYGILMPBSYCWDB-BPKGMFCQSA-N 1 3 313.486 0.919 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000563198500 396713533 /nfs/dbraw/zinc/71/35/33/396713533.db2.gz DLAUBLFYNFBWPM-ZFWWWQNUSA-N 1 3 305.426 0.879 20 0 DCADHO O[C@@H](CNCCCc1nnc2n1CCCCC2)C[NH+]1CCCC1 ZINC000629563675 396788708 /nfs/dbraw/zinc/78/87/08/396788708.db2.gz FCGCNOMYERQKSQ-HNNXBMFYSA-N 1 3 321.469 0.983 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000563457034 396740183 /nfs/dbraw/zinc/74/01/83/396740183.db2.gz IAMIUQDPBLBNBW-AWEZNQCLSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000629524869 396776860 /nfs/dbraw/zinc/77/68/60/396776860.db2.gz VFXGUPBKZROZPN-HZSPNIEDSA-N 1 3 315.425 0.681 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N(C)C ZINC000629598160 396804835 /nfs/dbraw/zinc/80/48/35/396804835.db2.gz VAIFCIQDLLSZEC-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000376720882 396968844 /nfs/dbraw/zinc/96/88/44/396968844.db2.gz OILLYBFFZKTBRR-GOEBONIOSA-N 1 3 313.442 0.230 20 0 DCADHO Cn1ccc(N2CCC[C@H](N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)C2=O)n1 ZINC000342126735 396985881 /nfs/dbraw/zinc/98/58/81/396985881.db2.gz FAGXBHJYMPDATL-YJNKXOJESA-N 1 3 317.437 0.975 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000612547223 397092007 /nfs/dbraw/zinc/09/20/07/397092007.db2.gz AQKRKGQIODYKEJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3csc(CN)n3)C2)CC1 ZINC000377194299 397045253 /nfs/dbraw/zinc/04/52/53/397045253.db2.gz AABNQHYXQPQACS-NSHDSACASA-N 1 3 323.466 0.500 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)c3csc(CN)n3)C2)CC1 ZINC000377194299 397045257 /nfs/dbraw/zinc/04/52/57/397045257.db2.gz AABNQHYXQPQACS-NSHDSACASA-N 1 3 323.466 0.500 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](N)c3ccccc3)C2)CC1 ZINC000377198222 397047020 /nfs/dbraw/zinc/04/70/20/397047020.db2.gz OPYNYGNIFHWDBX-DOTOQJQBSA-N 1 3 316.449 0.971 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](N)c3ccccc3)C2)CC1 ZINC000377198222 397047024 /nfs/dbraw/zinc/04/70/24/397047024.db2.gz OPYNYGNIFHWDBX-DOTOQJQBSA-N 1 3 316.449 0.971 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](N)c3ccccc3)C2)CC1 ZINC000377198222 397047028 /nfs/dbraw/zinc/04/70/28/397047028.db2.gz OPYNYGNIFHWDBX-DOTOQJQBSA-N 1 3 316.449 0.971 20 0 DCADHO CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000592219753 397134366 /nfs/dbraw/zinc/13/43/66/397134366.db2.gz WIHGJLJGXLEOPK-HZPDHXFCSA-N 1 3 310.486 0.987 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000573226933 397147878 /nfs/dbraw/zinc/14/78/78/397147878.db2.gz LHAWCTAMSOYMEB-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000573380828 397161531 /nfs/dbraw/zinc/16/15/31/397161531.db2.gz CMSWVAMEGPYXHC-HNNXBMFYSA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000573464926 397171411 /nfs/dbraw/zinc/17/14/11/397171411.db2.gz CVYJTGQEWWZDGS-GJZGRUSLSA-N 1 3 308.470 0.518 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630840786 397115506 /nfs/dbraw/zinc/11/55/06/397115506.db2.gz DTPYMGWPDNYOSL-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630840786 397115512 /nfs/dbraw/zinc/11/55/12/397115512.db2.gz DTPYMGWPDNYOSL-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000573687175 397195386 /nfs/dbraw/zinc/19/53/86/397195386.db2.gz ISOYHTQEEPPYDS-OAHLLOKOSA-N 1 3 322.453 0.237 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000574463760 397271544 /nfs/dbraw/zinc/27/15/44/397271544.db2.gz UZMVACPKXKSUAF-RDJZCZTQSA-N 1 3 305.422 0.428 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000574463760 397271549 /nfs/dbraw/zinc/27/15/49/397271549.db2.gz UZMVACPKXKSUAF-RDJZCZTQSA-N 1 3 305.422 0.428 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620482365 397279763 /nfs/dbraw/zinc/27/97/63/397279763.db2.gz NGXPAWYCDQTMSW-LZWOXQAQSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620482365 397279767 /nfs/dbraw/zinc/27/97/67/397279767.db2.gz NGXPAWYCDQTMSW-LZWOXQAQSA-N 1 3 309.454 0.917 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602007845 397283196 /nfs/dbraw/zinc/28/31/96/397283196.db2.gz ZXURZOCGSURWNY-AWEZNQCLSA-N 1 3 322.453 0.927 20 0 DCADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCN(CC4CC4)C3)c21 ZINC000592958708 397302791 /nfs/dbraw/zinc/30/27/91/397302791.db2.gz HCIQNVWZARSTPS-UONOGXRCSA-N 1 3 317.437 0.933 20 0 DCADHO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1C1CC1 ZINC000593323239 397351152 /nfs/dbraw/zinc/35/11/52/397351152.db2.gz RMSLZUKNADVJMY-AEGPPILISA-N 1 3 323.437 0.315 20 0 DCADHO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1C1CC1 ZINC000593323239 397351157 /nfs/dbraw/zinc/35/11/57/397351157.db2.gz RMSLZUKNADVJMY-AEGPPILISA-N 1 3 323.437 0.315 20 0 DCADHO COCC1(CNC(=O)N(C)C[C@H]2CCCN2C)CC[NH2+]CC1 ZINC000577720017 397352711 /nfs/dbraw/zinc/35/27/11/397352711.db2.gz ITJWHLORIRQMNL-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO CC[C@H](C)NC(=O)CN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414671235 397367740 /nfs/dbraw/zinc/36/77/40/397367740.db2.gz FQRLUDWHXKLCDK-ARFHVFGLSA-N 1 3 310.486 0.907 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662354 397376020 /nfs/dbraw/zinc/37/60/20/397376020.db2.gz SRVVTJJVASDROO-HRCADAONSA-N 1 3 324.469 0.521 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000419528075 397380417 /nfs/dbraw/zinc/38/04/17/397380417.db2.gz VZKKUXMZIMXCKT-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000419528075 397380427 /nfs/dbraw/zinc/38/04/27/397380427.db2.gz VZKKUXMZIMXCKT-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419783347 397383735 /nfs/dbraw/zinc/38/37/35/397383735.db2.gz VLYGSRMCZDAFLI-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCOCCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000471634721 397448431 /nfs/dbraw/zinc/44/84/31/397448431.db2.gz LFIBVDXKGZUDAP-UHFFFAOYSA-N 1 3 312.458 0.738 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)C2)CC1 ZINC000602479969 397416311 /nfs/dbraw/zinc/41/63/11/397416311.db2.gz CRYOFWATACJQBJ-HOTGVXAUSA-N 1 3 306.454 0.661 20 0 DCADHO CC1CCN(CC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000370593215 397506220 /nfs/dbraw/zinc/50/62/20/397506220.db2.gz KHQSQGVSUKAWDW-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC1CCN(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000370593215 397506225 /nfs/dbraw/zinc/50/62/25/397506225.db2.gz KHQSQGVSUKAWDW-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCC[C@@H](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000579250499 397544372 /nfs/dbraw/zinc/54/43/72/397544372.db2.gz SCYXRKRSLDXKKR-AWEZNQCLSA-N 1 3 305.426 0.420 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H](C)C1 ZINC000249404793 286063129 /nfs/dbraw/zinc/06/31/29/286063129.db2.gz CVMSATWKLPDRLB-AVGNSLFASA-N 1 3 314.430 0.296 20 0 DCADHO CC[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127472042 158273822 /nfs/dbraw/zinc/27/38/22/158273822.db2.gz BRTXRJNAOVJUDK-CYBMUJFWSA-N 1 3 312.458 0.615 20 0 DCADHO CC(C(=O)N1CCC(CCC[NH+](C)C)CC1)S(C)(=O)=O ZINC000133717871 158321545 /nfs/dbraw/zinc/32/15/45/158321545.db2.gz AEYZYHRHOKVRDJ-LBPRGKRZSA-N 1 3 304.456 1.000 20 0 DCADHO C[NH+](C)CCN1CCC(NC(=O)NCCN2CC=CCC2)CC1 ZINC000353242793 159248195 /nfs/dbraw/zinc/24/81/95/159248195.db2.gz JLEQAEVTLHRUKB-UHFFFAOYSA-N 1 3 323.485 0.574 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000359272388 159260065 /nfs/dbraw/zinc/26/00/65/159260065.db2.gz AMAUGTFNOXLPAY-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000359272388 159260068 /nfs/dbraw/zinc/26/00/68/159260068.db2.gz AMAUGTFNOXLPAY-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[N@@H+]1C1CC1 ZINC000363953053 287221154 /nfs/dbraw/zinc/22/11/54/287221154.db2.gz OBDJWUXOLFWZJI-OCVGTWLNSA-N 1 3 322.453 0.774 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[N@H+]1C1CC1 ZINC000363953053 287221155 /nfs/dbraw/zinc/22/11/55/287221155.db2.gz OBDJWUXOLFWZJI-OCVGTWLNSA-N 1 3 322.453 0.774 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@@H]1CN ZINC000418992567 287259141 /nfs/dbraw/zinc/25/91/41/287259141.db2.gz GHBHPAUTAMULFY-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419023949 287262769 /nfs/dbraw/zinc/26/27/69/287262769.db2.gz KMIZBHHGBYDQDR-BARDWOONSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419145995 287267265 /nfs/dbraw/zinc/26/72/65/287267265.db2.gz HCVJHMGFXRZFFW-RBSFLKMASA-N 1 3 324.469 0.467 20 0 DCADHO NC(=O)c1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000420308597 287288783 /nfs/dbraw/zinc/28/87/83/287288783.db2.gz CVSXQQZHWPBYHP-AWEZNQCLSA-N 1 3 317.437 0.692 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000420346485 287293504 /nfs/dbraw/zinc/29/35/04/287293504.db2.gz YKCLLALUPDSGBU-QXSJWSMHSA-N 1 3 309.454 0.944 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000342697581 415257216 /nfs/dbraw/zinc/25/72/16/415257216.db2.gz SBFHPMHCMFPTLW-KBPBESRZSA-N 1 3 311.426 0.457 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000342697581 415257223 /nfs/dbraw/zinc/25/72/23/415257223.db2.gz SBFHPMHCMFPTLW-KBPBESRZSA-N 1 3 311.426 0.457 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000342765948 415284946 /nfs/dbraw/zinc/28/49/46/415284946.db2.gz RDENDRGGVUNODH-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000342895152 415343634 /nfs/dbraw/zinc/34/36/34/415343634.db2.gz WHHRSQKIENSYIR-PMPSAXMXSA-N 1 3 310.486 0.574 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000342895152 415343640 /nfs/dbraw/zinc/34/36/40/415343640.db2.gz WHHRSQKIENSYIR-PMPSAXMXSA-N 1 3 310.486 0.574 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CN)CC[C@H]21 ZINC000332582119 415416884 /nfs/dbraw/zinc/41/68/84/415416884.db2.gz GRZBBZSJOTZOJF-QLFBSQMISA-N 1 3 322.453 0.269 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CN)CC[C@H]21 ZINC000332582119 415416888 /nfs/dbraw/zinc/41/68/88/415416888.db2.gz GRZBBZSJOTZOJF-QLFBSQMISA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423356701 287305110 /nfs/dbraw/zinc/30/51/10/287305110.db2.gz HESRANOSRIRREQ-UONOGXRCSA-N 1 3 322.457 0.867 20 0 DCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332585849 415417540 /nfs/dbraw/zinc/41/75/40/415417540.db2.gz HQTREXCFPRDZQU-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332585849 415417546 /nfs/dbraw/zinc/41/75/46/415417546.db2.gz HQTREXCFPRDZQU-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000332585262 415418932 /nfs/dbraw/zinc/41/89/32/415418932.db2.gz DHWAUDQOFSUDEI-ZNMIVQPWSA-N 1 3 322.453 0.282 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000332890024 415505584 /nfs/dbraw/zinc/50/55/84/415505584.db2.gz DNQISVIYZIQRCC-KKUMJFAQSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000332890024 415505594 /nfs/dbraw/zinc/50/55/94/415505594.db2.gz DNQISVIYZIQRCC-KKUMJFAQSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304600 415546620 /nfs/dbraw/zinc/54/66/20/415546620.db2.gz JBCKONILACWFKJ-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000353458262 415549980 /nfs/dbraw/zinc/54/99/80/415549980.db2.gz IXQVXGQBGHHAGQ-ZDUSSCGKSA-N 1 3 308.382 0.489 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000105233609 415628964 /nfs/dbraw/zinc/62/89/64/415628964.db2.gz ISXUDRPUMKHWMB-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000353542959 415586184 /nfs/dbraw/zinc/58/61/84/415586184.db2.gz NZHJYRKOIFKLMA-UONOGXRCSA-N 1 3 312.458 0.737 20 0 DCADHO CC(=O)N1CCN(C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000333236341 415588095 /nfs/dbraw/zinc/58/80/95/415588095.db2.gz ADSGVSNKUWCXLK-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000353554545 415590624 /nfs/dbraw/zinc/59/06/24/415590624.db2.gz XFTGTSJEQREFQW-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000353554545 415590631 /nfs/dbraw/zinc/59/06/31/415590631.db2.gz XFTGTSJEQREFQW-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CC[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000333252182 415595296 /nfs/dbraw/zinc/59/52/96/415595296.db2.gz GZKFZOJQWLCXQL-MELADBBJSA-N 1 3 303.472 0.778 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1ncc2ccccc21 ZINC000107249646 415660111 /nfs/dbraw/zinc/66/01/11/415660111.db2.gz QZIKCGCROREYBN-UHFFFAOYSA-N 1 3 317.437 0.988 20 0 DCADHO CC[C@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000343769898 415720832 /nfs/dbraw/zinc/72/08/32/415720832.db2.gz QTZLFTXAQRBUEZ-WMLDXEAASA-N 1 3 324.469 0.578 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343992489 415811365 /nfs/dbraw/zinc/81/13/65/415811365.db2.gz URXHKGOJZYCAMN-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343992489 415811368 /nfs/dbraw/zinc/81/13/68/415811368.db2.gz URXHKGOJZYCAMN-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000121934044 415820396 /nfs/dbraw/zinc/82/03/96/415820396.db2.gz IDCCCZHNLGDORZ-YJNKXOJESA-N 1 3 324.469 0.467 20 0 DCADHO O[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000344026987 415821443 /nfs/dbraw/zinc/82/14/43/415821443.db2.gz KJIZKVAOHFVONU-JWLJBSCISA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2C[N@H+](C/C=C\CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000344026987 415821450 /nfs/dbraw/zinc/82/14/50/415821450.db2.gz KJIZKVAOHFVONU-JWLJBSCISA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2CN(C/C=C\C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000344026987 415821459 /nfs/dbraw/zinc/82/14/59/415821459.db2.gz KJIZKVAOHFVONU-JWLJBSCISA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2CN(C/C=C\C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000344026987 415821462 /nfs/dbraw/zinc/82/14/62/415821462.db2.gz KJIZKVAOHFVONU-JWLJBSCISA-N 1 3 306.450 0.948 20 0 DCADHO CC1CCN(CCNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000356219270 415884722 /nfs/dbraw/zinc/88/47/22/415884722.db2.gz GNDXVOXZTMZLQI-UHFFFAOYSA-N 1 3 305.426 0.947 20 0 DCADHO CCN(CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)S(C)(=O)=O ZINC000127994776 415896582 /nfs/dbraw/zinc/89/65/82/415896582.db2.gz BGSVAFQKQHWRMO-UONOGXRCSA-N 1 3 303.472 0.874 20 0 DCADHO CCN(CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)S(C)(=O)=O ZINC000127994776 415896586 /nfs/dbraw/zinc/89/65/86/415896586.db2.gz BGSVAFQKQHWRMO-UONOGXRCSA-N 1 3 303.472 0.874 20 0 DCADHO CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCCN1C ZINC000356605411 415960917 /nfs/dbraw/zinc/96/09/17/415960917.db2.gz LIBVJRBBLLLGGO-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N(C)C ZINC000152642033 415967677 /nfs/dbraw/zinc/96/76/77/415967677.db2.gz VQRJMQAPTXEESP-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC000152642033 415967683 /nfs/dbraw/zinc/96/76/83/415967683.db2.gz VQRJMQAPTXEESP-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO COCCN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155206077 415994449 /nfs/dbraw/zinc/99/44/49/415994449.db2.gz CTZADZQKLBENPE-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO COCCN(C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000155206077 415994452 /nfs/dbraw/zinc/99/44/52/415994452.db2.gz CTZADZQKLBENPE-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C2([NH3+])CCOCC2)C[C@@H](C)O1 ZINC000338151560 416051376 /nfs/dbraw/zinc/05/13/76/416051376.db2.gz SZZJQZMIMVGFPF-ZIAGYGMSSA-N 1 3 313.442 0.500 20 0 DCADHO CCOCC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000345183383 416058356 /nfs/dbraw/zinc/05/83/56/416058356.db2.gz GBJGSJPAKAUUNC-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO CCNC(=O)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000357326125 416062177 /nfs/dbraw/zinc/06/21/77/416062177.db2.gz WVAYFQXFMVADKW-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000357326125 416062181 /nfs/dbraw/zinc/06/21/81/416062181.db2.gz WVAYFQXFMVADKW-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000337727699 416003326 /nfs/dbraw/zinc/00/33/26/416003326.db2.gz UZXAZLINHPCISD-HOCLYGCPSA-N 1 3 314.474 0.576 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000337727699 416003330 /nfs/dbraw/zinc/00/33/30/416003330.db2.gz UZXAZLINHPCISD-HOCLYGCPSA-N 1 3 314.474 0.576 20 0 DCADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000165024684 416019833 /nfs/dbraw/zinc/01/98/33/416019833.db2.gz RLHLMPRIXIQAIN-JKSUJKDBSA-N 1 3 303.406 0.274 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H]([NH3+])CC(F)F)C[C@H](C)O1 ZINC000345705563 416137294 /nfs/dbraw/zinc/13/72/94/416137294.db2.gz ZSUNILNKWDFVCJ-GRYCIOLGSA-N 1 3 307.385 0.975 20 0 DCADHO CNCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000178765068 416172669 /nfs/dbraw/zinc/17/26/69/416172669.db2.gz LFLYNHZUNLVMAV-HNNXBMFYSA-N 1 3 318.421 0.220 20 0 DCADHO CNCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000178765068 416172670 /nfs/dbraw/zinc/17/26/70/416172670.db2.gz LFLYNHZUNLVMAV-HNNXBMFYSA-N 1 3 318.421 0.220 20 0 DCADHO CN1CCN(c2ncc(CN3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cn2)CC1 ZINC000329601623 416179392 /nfs/dbraw/zinc/17/93/92/416179392.db2.gz QIPHTDAVLYDRPV-ARFHVFGLSA-N 1 3 317.437 0.431 20 0 DCADHO CN1CCN(c2ncc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cn2)CC1 ZINC000329601623 416179394 /nfs/dbraw/zinc/17/93/94/416179394.db2.gz QIPHTDAVLYDRPV-ARFHVFGLSA-N 1 3 317.437 0.431 20 0 DCADHO CN1CCN(c2ncc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)cn2)CC1 ZINC000329601623 416179398 /nfs/dbraw/zinc/17/93/98/416179398.db2.gz QIPHTDAVLYDRPV-ARFHVFGLSA-N 1 3 317.437 0.431 20 0 DCADHO CN1CCN(c2ncc(CN3C[C@@H]4CC[C@@H](O)[C@H]4C3)cn2)CC1 ZINC000329601624 416179904 /nfs/dbraw/zinc/17/99/04/416179904.db2.gz QIPHTDAVLYDRPV-HRCADAONSA-N 1 3 317.437 0.431 20 0 DCADHO CN1CCN(c2ncc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)cn2)CC1 ZINC000329601624 416179907 /nfs/dbraw/zinc/17/99/07/416179907.db2.gz QIPHTDAVLYDRPV-HRCADAONSA-N 1 3 317.437 0.431 20 0 DCADHO CN1CCN(c2ncc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)cn2)CC1 ZINC000329601624 416179912 /nfs/dbraw/zinc/17/99/12/416179912.db2.gz QIPHTDAVLYDRPV-HRCADAONSA-N 1 3 317.437 0.431 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCC2(CO)COC2)[C@H](C)C1 ZINC000358350339 416226461 /nfs/dbraw/zinc/22/64/61/416226461.db2.gz JBYWMJCXOLURMQ-CABCVRRESA-N 1 3 300.443 0.722 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCC2(CO)COC2)[C@H](C)C1 ZINC000358350339 416226465 /nfs/dbraw/zinc/22/64/65/416226465.db2.gz JBYWMJCXOLURMQ-CABCVRRESA-N 1 3 300.443 0.722 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)N(C)C1CC1 ZINC000341977468 416261596 /nfs/dbraw/zinc/26/15/96/416261596.db2.gz URRBPRGXSKUPFX-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N(C)C1CC1 ZINC000342063239 416276986 /nfs/dbraw/zinc/27/69/86/416276986.db2.gz NTGBGYAGYNNSNC-NFAWXSAZSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N(C)C1CC1 ZINC000342063239 416276991 /nfs/dbraw/zinc/27/69/91/416276991.db2.gz NTGBGYAGYNNSNC-NFAWXSAZSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)C1CC1 ZINC000359302755 416320121 /nfs/dbraw/zinc/32/01/21/416320121.db2.gz FBNSNZUFZLMIHE-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C1CC1 ZINC000359302755 416320124 /nfs/dbraw/zinc/32/01/24/416320124.db2.gz FBNSNZUFZLMIHE-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCN(CCNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000358855124 416285653 /nfs/dbraw/zinc/28/56/53/416285653.db2.gz IKZVLBJLCXKPCF-UHFFFAOYSA-N 1 3 311.455 0.012 20 0 DCADHO COCC1(C(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000358864653 416287436 /nfs/dbraw/zinc/28/74/36/416287436.db2.gz KWCDVXHQPHCDPM-OAHLLOKOSA-N 1 3 315.483 0.556 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000415409160 416341637 /nfs/dbraw/zinc/34/16/37/416341637.db2.gz IAYKGLNRFFHMQW-LBPRGKRZSA-N 1 3 320.437 0.967 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415413870 416341732 /nfs/dbraw/zinc/34/17/32/416341732.db2.gz OKGCAYYVLYAAQF-CYBMUJFWSA-N 1 3 320.437 0.701 20 0 DCADHO C[C@]1(O)CCCN(CCOCC[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000245968640 416331532 /nfs/dbraw/zinc/33/15/32/416331532.db2.gz VZSLRLAQZGKDKB-HOTGVXAUSA-N 1 3 300.443 0.697 20 0 DCADHO C[C@]1(O)CCCN(CCOCC[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000245968640 416331533 /nfs/dbraw/zinc/33/15/33/416331533.db2.gz VZSLRLAQZGKDKB-HOTGVXAUSA-N 1 3 300.443 0.697 20 0 DCADHO CN1CCN(CCCNC(=O)NCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000417013480 416381810 /nfs/dbraw/zinc/38/18/10/416381810.db2.gz CKWLXNJTOYNKEM-MRXNPFEDSA-N 1 3 319.453 0.623 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419288228 416398954 /nfs/dbraw/zinc/39/89/54/416398954.db2.gz RLBGGKQHWJMIMS-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360673454 416402738 /nfs/dbraw/zinc/40/27/38/416402738.db2.gz AZAFDZABZFFHJN-CQSZACIVSA-N 1 3 318.487 0.301 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419764806 416409715 /nfs/dbraw/zinc/40/97/15/416409715.db2.gz PSFSHVVNQPJPHY-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCCC[C@@H]1CN)C(C)C ZINC000419796691 416412578 /nfs/dbraw/zinc/41/25/78/416412578.db2.gz PKFBVKDSJWYDJF-CQSZACIVSA-N 1 3 312.458 0.561 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423173262 416473606 /nfs/dbraw/zinc/47/36/06/416473606.db2.gz XRWMWFXFRYKGFW-HUUCEWRRSA-N 1 3 322.453 0.413 20 0 DCADHO C[C@@H](NCC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCC[NH2+]1 ZINC000423171225 416473811 /nfs/dbraw/zinc/47/38/11/416473811.db2.gz NPUSVCUAFKPQQP-HZPDHXFCSA-N 1 3 310.486 0.513 20 0 DCADHO C[C@H]1CN(CCC2CCN(C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000583614934 416478885 /nfs/dbraw/zinc/47/88/85/416478885.db2.gz VADKMMYPTPDONF-KBPBESRZSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)N(C)C1CC1 ZINC000422308913 416425875 /nfs/dbraw/zinc/42/58/75/416425875.db2.gz RNBVAHWOQFLCES-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N(C)C1CC1 ZINC000422308913 416425876 /nfs/dbraw/zinc/42/58/76/416425876.db2.gz RNBVAHWOQFLCES-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000422326529 416426022 /nfs/dbraw/zinc/42/60/22/416426022.db2.gz BCZGUWWOQZFQRP-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000533979483 416490371 /nfs/dbraw/zinc/49/03/71/416490371.db2.gz FIOXKGUMYBRSKL-CQSZACIVSA-N 1 3 323.485 0.548 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459067960 416522486 /nfs/dbraw/zinc/52/24/86/416522486.db2.gz VZXIPGHWYKPMMX-AWEZNQCLSA-N 1 3 313.490 0.652 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423618703 416527772 /nfs/dbraw/zinc/52/77/72/416527772.db2.gz HPHBZHVKRUYFAY-UONOGXRCSA-N 1 3 310.442 0.269 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423620909 416528432 /nfs/dbraw/zinc/52/84/32/416528432.db2.gz XAQQPJFMUAJYMH-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423626909 416530918 /nfs/dbraw/zinc/53/09/18/416530918.db2.gz TUDZUMUIWDUDPV-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423626909 416530921 /nfs/dbraw/zinc/53/09/21/416530921.db2.gz TUDZUMUIWDUDPV-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423676216 416538695 /nfs/dbraw/zinc/53/86/95/416538695.db2.gz BQMKLVAXASVUET-UONOGXRCSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CCC[C@@H](C)C1 ZINC000423333564 416494603 /nfs/dbraw/zinc/49/46/03/416494603.db2.gz QAZZOPNKPJQBEE-ZIAGYGMSSA-N 1 3 322.457 0.867 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCC[C@@H](C)C1 ZINC000423334101 416494671 /nfs/dbraw/zinc/49/46/71/416494671.db2.gz QLXIMWNYZYEZKS-OLZOCXBDSA-N 1 3 308.430 0.477 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423364649 416496652 /nfs/dbraw/zinc/49/66/52/416496652.db2.gz OWPOOGWIQNWGSG-MGPQQGTHSA-N 1 3 322.457 0.723 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423366314 416496873 /nfs/dbraw/zinc/49/68/73/416496873.db2.gz CKNZSTBTEVBTQW-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423379739 416501729 /nfs/dbraw/zinc/50/17/29/416501729.db2.gz NCBCLJPBXHDJDZ-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO O=C(C[C@@H]1CSCC[NH2+]1)NCCCN1CCC(O)CC1 ZINC000434874152 416503416 /nfs/dbraw/zinc/50/34/16/416503416.db2.gz AFSOKXCSXYRZJV-GFCCVEGCSA-N 1 3 301.456 0.045 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423420079 416507653 /nfs/dbraw/zinc/50/76/53/416507653.db2.gz ATAIRGXTKFGHQX-CABCVRRESA-N 1 3 310.486 0.907 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CCO1 ZINC000423768082 416563618 /nfs/dbraw/zinc/56/36/18/416563618.db2.gz ZTQFPHJVVDOSIH-KRWDZBQOSA-N 1 3 317.433 0.777 20 0 DCADHO C[C@H](CC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000423928656 416593235 /nfs/dbraw/zinc/59/32/35/416593235.db2.gz HMNQNKAXHTYGOA-LVQVYYBASA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCCC[NH+]2CCCC2)n1 ZINC000438704788 416602451 /nfs/dbraw/zinc/60/24/51/416602451.db2.gz DLZPJGYXXDMTBP-UHFFFAOYSA-N 1 3 308.430 1.052 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)COC2CNC2)CC[C@H]1c1ccc(F)cc1 ZINC000424041246 416607955 /nfs/dbraw/zinc/60/79/55/416607955.db2.gz HNZYFQQJXPBTGW-LSDHHAIUSA-N 1 3 307.369 0.457 20 0 DCADHO O=C(CCOC1C[NH2+]C1)NCC1CCN(c2ccncc2)CC1 ZINC000423785924 416566140 /nfs/dbraw/zinc/56/61/40/416566140.db2.gz OXVWJNKFXBQDJZ-UHFFFAOYSA-N 1 3 318.421 0.793 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424133222 416614463 /nfs/dbraw/zinc/61/44/63/416614463.db2.gz JGQCRRAISZZDGF-CQSZACIVSA-N 1 3 318.425 0.559 20 0 DCADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCN2CCC[C@@H]2C1 ZINC000424144540 416616644 /nfs/dbraw/zinc/61/66/44/416616644.db2.gz LPHFSJLKZHIRTE-CHWSQXEVSA-N 1 3 304.398 0.123 20 0 DCADHO COCCCN(C)CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424149848 416617592 /nfs/dbraw/zinc/61/75/92/416617592.db2.gz XOXWTEYRJKHZDI-CYBMUJFWSA-N 1 3 323.441 0.575 20 0 DCADHO CN(C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[C@@H]1CCN(C2CC2)C1 ZINC000424158520 416620380 /nfs/dbraw/zinc/62/03/80/416620380.db2.gz RBGKLAFSDMENKK-ZIAGYGMSSA-N 1 3 318.425 0.511 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])C[C@H]2N)cn1 ZINC000424227335 416629047 /nfs/dbraw/zinc/62/90/47/416629047.db2.gz QQEXUQZMTBMPGF-CYUUQNCZSA-N 1 3 305.426 0.581 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)C[C@H]2N)cn1 ZINC000424226560 416629104 /nfs/dbraw/zinc/62/91/04/416629104.db2.gz OWUQORPHXJNCPU-HLPPOEQASA-N 1 3 303.410 0.063 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424444969 416645703 /nfs/dbraw/zinc/64/57/03/416645703.db2.gz DTOVIAVTFOZJTH-OAHLLOKOSA-N 1 3 318.421 0.993 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCC(=O)N1CCN(C)CC1)C2 ZINC000367588478 416647959 /nfs/dbraw/zinc/64/79/59/416647959.db2.gz WTWBDOGNDFAXGY-XYPWUTKMSA-N 1 3 308.470 0.708 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCC(=O)N1CCN(C)CC1)C2 ZINC000367588478 416647963 /nfs/dbraw/zinc/64/79/63/416647963.db2.gz WTWBDOGNDFAXGY-XYPWUTKMSA-N 1 3 308.470 0.708 20 0 DCADHO CN(CCC(=O)N1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367588478 416647966 /nfs/dbraw/zinc/64/79/66/416647966.db2.gz WTWBDOGNDFAXGY-XYPWUTKMSA-N 1 3 308.470 0.708 20 0 DCADHO CN(CCC(=O)N1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367588478 416647971 /nfs/dbraw/zinc/64/79/71/416647971.db2.gz WTWBDOGNDFAXGY-XYPWUTKMSA-N 1 3 308.470 0.708 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482084 416654703 /nfs/dbraw/zinc/65/47/03/416654703.db2.gz SQFUHUKRCAAPFC-MELADBBJSA-N 1 3 308.430 0.374 20 0 DCADHO CN1CCN(C(=O)NCCCCC[NH+]2CCCC2)[C@H](CN)C1 ZINC000514591544 416664431 /nfs/dbraw/zinc/66/44/31/416664431.db2.gz KINCACDVXXNLSP-OAHLLOKOSA-N 1 3 311.474 0.537 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000611757102 416665801 /nfs/dbraw/zinc/66/58/01/416665801.db2.gz DSZYWHAOKOXGGK-ZFWWWQNUSA-N 1 3 322.453 0.354 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000611757102 416665806 /nfs/dbraw/zinc/66/58/06/416665806.db2.gz DSZYWHAOKOXGGK-ZFWWWQNUSA-N 1 3 322.453 0.354 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614847375 416712268 /nfs/dbraw/zinc/71/22/68/416712268.db2.gz KTGIKCFNWPISAX-HOTGVXAUSA-N 1 3 305.422 0.547 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614847375 416712272 /nfs/dbraw/zinc/71/22/72/416712272.db2.gz KTGIKCFNWPISAX-HOTGVXAUSA-N 1 3 305.422 0.547 20 0 DCADHO C[N@@H+]1CCN(CCNC(=O)[C@H]2CCCN2C2CC2)CC1(C)C ZINC000442962509 416722764 /nfs/dbraw/zinc/72/27/64/416722764.db2.gz HCQJXGTYGLYZIH-OAHLLOKOSA-N 1 3 308.470 0.755 20 0 DCADHO C[N@H+]1CCN(CCNC(=O)[C@H]2CCCN2C2CC2)CC1(C)C ZINC000442962509 416722768 /nfs/dbraw/zinc/72/27/68/416722768.db2.gz HCQJXGTYGLYZIH-OAHLLOKOSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057119 416728760 /nfs/dbraw/zinc/72/87/60/416728760.db2.gz FNXQZEQPBFVRKD-STQMWFEESA-N 1 3 310.442 0.160 20 0 DCADHO C[NH2+]CC1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631904520 416788458 /nfs/dbraw/zinc/78/84/58/416788458.db2.gz QBZOUYPTNBTDCW-UHFFFAOYSA-N 1 3 303.472 0.734 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000517235639 416793086 /nfs/dbraw/zinc/79/30/86/416793086.db2.gz VCNKISOTMOYKRY-MELADBBJSA-N 1 3 315.483 0.812 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631940290 416819675 /nfs/dbraw/zinc/81/96/75/416819675.db2.gz SIOMKBZMMPITEA-HUUCEWRRSA-N 1 3 317.499 0.980 20 0 DCADHO C[C@@H]1C[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)CCN1C ZINC000632029398 416872419 /nfs/dbraw/zinc/87/24/19/416872419.db2.gz CYLZZHOCWVYBKY-KGLIPLIRSA-N 1 3 303.472 0.874 20 0 DCADHO C[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000641506415 416888931 /nfs/dbraw/zinc/88/89/31/416888931.db2.gz UEWBPXCVNCSPQF-BPUTZDHNSA-N 1 3 320.437 0.516 20 0 DCADHO Cc1cc(NC(=O)CC[NH2+]C2CCN(CCN(C)C)CC2)no1 ZINC000564858612 416898831 /nfs/dbraw/zinc/89/88/31/416898831.db2.gz VJPDEFVFLZKBIM-UHFFFAOYSA-N 1 3 323.441 0.927 20 0 DCADHO Nc1nc(N)nc(N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000623855961 416908116 /nfs/dbraw/zinc/90/81/16/416908116.db2.gz LBWVXOBGCCMCTD-UHFFFAOYSA-N 1 3 305.430 0.789 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000446283797 416920842 /nfs/dbraw/zinc/92/08/42/416920842.db2.gz XICOTXQOWLOYSM-VWPFQQQWSA-N 1 3 309.454 0.975 20 0 DCADHO CN1CCCC[C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000624122441 416965027 /nfs/dbraw/zinc/96/50/27/416965027.db2.gz RGZDAHSMLCCPBB-VEAWUBTESA-N 1 3 308.426 0.829 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428980018 416938211 /nfs/dbraw/zinc/93/82/11/416938211.db2.gz MZOYCTAMWLSNAD-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CN1C[C@@H]2CCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000565211088 416947987 /nfs/dbraw/zinc/94/79/87/416947987.db2.gz XCMNRLJXFWMXSV-DZGCQCFKSA-N 1 3 305.426 0.611 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN(CC)CC)CC[C@H]1[NH3+] ZINC000642114196 417030334 /nfs/dbraw/zinc/03/03/34/417030334.db2.gz RIIAIABVXKYHSQ-MGPQQGTHSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN(CC)CC)CC[C@@H]1[NH3+] ZINC000642114195 417030602 /nfs/dbraw/zinc/03/06/02/417030602.db2.gz RIIAIABVXKYHSQ-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C1 ZINC000373896548 416967932 /nfs/dbraw/zinc/96/79/32/416967932.db2.gz TVTHVHHEYBPCBW-CABCVRRESA-N 1 3 318.421 0.312 20 0 DCADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C1 ZINC000373896548 416967942 /nfs/dbraw/zinc/96/79/42/416967942.db2.gz TVTHVHHEYBPCBW-CABCVRRESA-N 1 3 318.421 0.312 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000429457660 416976099 /nfs/dbraw/zinc/97/60/99/416976099.db2.gz VGKBVESWAMFEOG-QWHCGFSZSA-N 1 3 306.476 0.139 20 0 DCADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637103733 416987361 /nfs/dbraw/zinc/98/73/61/416987361.db2.gz ONNCMCJSIFLVSA-KBPBESRZSA-N 1 3 312.458 0.473 20 0 DCADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637103733 416987369 /nfs/dbraw/zinc/98/73/69/416987369.db2.gz ONNCMCJSIFLVSA-KBPBESRZSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1C[NH3+] ZINC000642785699 417096063 /nfs/dbraw/zinc/09/60/63/417096063.db2.gz DNGNBTMVILMYTD-YUELXQCFSA-N 1 3 322.453 0.030 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785692 417097380 /nfs/dbraw/zinc/09/73/80/417097380.db2.gz DMMAIWOMYMPTIU-KBPBESRZSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000524156053 417098635 /nfs/dbraw/zinc/09/86/35/417098635.db2.gz DUUQTZVBQKGRPK-UHFFFAOYSA-N 1 3 322.453 0.636 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000524156053 417098641 /nfs/dbraw/zinc/09/86/41/417098641.db2.gz DUUQTZVBQKGRPK-UHFFFAOYSA-N 1 3 322.453 0.636 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642329753 417044427 /nfs/dbraw/zinc/04/44/27/417044427.db2.gz AJPYTMIDTARSCM-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000430598706 417044633 /nfs/dbraw/zinc/04/46/33/417044633.db2.gz OOXLWPMSFYICOS-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000642713015 417077005 /nfs/dbraw/zinc/07/70/05/417077005.db2.gz IJFKONMWKBQBFI-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642732200 417084055 /nfs/dbraw/zinc/08/40/55/417084055.db2.gz XTSWCUJLEAMPOL-RBSFLKMASA-N 1 3 322.453 0.045 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000637379537 417085179 /nfs/dbraw/zinc/08/51/79/417085179.db2.gz GSQCZVMTYUZPKJ-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000642731670 417085443 /nfs/dbraw/zinc/08/54/43/417085443.db2.gz DZLHEYCARHHMID-QGZVFWFLSA-N 1 3 322.453 0.047 20 0 DCADHO C[NH2+]CC1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000430962346 417090962 /nfs/dbraw/zinc/09/09/62/417090962.db2.gz CLFUCBHBWIPINX-UHFFFAOYSA-N 1 3 308.426 0.782 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642809788 417106297 /nfs/dbraw/zinc/10/62/97/417106297.db2.gz TWQYYYNWIYKCQG-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000524784638 417118185 /nfs/dbraw/zinc/11/81/85/417118185.db2.gz VQMYYMDKEMPGFT-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000524784638 417118191 /nfs/dbraw/zinc/11/81/91/417118191.db2.gz VQMYYMDKEMPGFT-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H](Cn1cccn1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524904335 417121171 /nfs/dbraw/zinc/12/11/71/417121171.db2.gz XTLFHIWHSTTZDN-CQSZACIVSA-N 1 3 310.446 0.406 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642910569 417121572 /nfs/dbraw/zinc/12/15/72/417121572.db2.gz JBSMVLLBZHCPCP-ZFWWWQNUSA-N 1 3 318.421 0.183 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000449116044 417123019 /nfs/dbraw/zinc/12/30/19/417123019.db2.gz JWNJAKWNKPIPRN-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO O=C(C[C@H]1CNCCO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430722961 287350630 /nfs/dbraw/zinc/35/06/30/287350630.db2.gz RETRHYDHTWSTBX-AWEZNQCLSA-N 1 3 311.426 0.126 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000430735099 287351673 /nfs/dbraw/zinc/35/16/73/287351673.db2.gz XZQDVSVZGANVAA-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000642930337 417130248 /nfs/dbraw/zinc/13/02/48/417130248.db2.gz ALLVCGYTABJAFB-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568492193 417141022 /nfs/dbraw/zinc/14/10/22/417141022.db2.gz PYHRSBIPZDNVBT-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCC[NH3+])C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000568654293 417162393 /nfs/dbraw/zinc/16/23/93/417162393.db2.gz CGDPANQFULXJIK-INIZCTEOSA-N 1 3 320.437 0.743 20 0 DCADHO CN(CCNC(=O)N(C)CCOCC[NH3+])Cc1ccccc1 ZINC000626947070 417184967 /nfs/dbraw/zinc/18/49/67/417184967.db2.gz KKGPBBBXFZCBHW-UHFFFAOYSA-N 1 3 308.426 0.735 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000643398189 417188476 /nfs/dbraw/zinc/18/84/76/417188476.db2.gz DAFYZBUWHDXXFP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[NH2+]1 ZINC000627211035 417280100 /nfs/dbraw/zinc/28/01/00/417280100.db2.gz ZTAYODRVSZDJFN-DYEKYZERSA-N 1 3 321.429 0.224 20 0 DCADHO [NH3+]CC1(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000627111598 417233636 /nfs/dbraw/zinc/23/36/36/417233636.db2.gz CVIICXPNFFSDAY-UONOGXRCSA-N 1 3 310.442 0.810 20 0 DCADHO CCN1CCC(N(C)C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000569343766 417243322 /nfs/dbraw/zinc/24/33/22/417243322.db2.gz OHPJGTGFELCYHT-CYBMUJFWSA-N 1 3 320.441 0.586 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000627157667 417251062 /nfs/dbraw/zinc/25/10/62/417251062.db2.gz DFYIUODFEZVHAI-HZSPNIEDSA-N 1 3 321.429 0.224 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H](N)C2CCC2)CC1 ZINC000570089030 417311541 /nfs/dbraw/zinc/31/15/41/417311541.db2.gz VFAXPJCMJQOUQE-HNNXBMFYSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000633040324 417332147 /nfs/dbraw/zinc/33/21/47/417332147.db2.gz HYEQHXPZQFVUIT-GXTWGEPZSA-N 1 3 318.421 0.943 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000627301320 417339122 /nfs/dbraw/zinc/33/91/22/417339122.db2.gz BLRLMCUHTWVGHG-CZUORRHYSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000415206826 417339994 /nfs/dbraw/zinc/33/99/94/417339994.db2.gz BUVCATUDBUKOPN-QWHCGFSZSA-N 1 3 308.430 1.178 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638125196 417341349 /nfs/dbraw/zinc/34/13/49/417341349.db2.gz DGQIRKMAAWSMCB-DOTOQJQBSA-N 1 3 318.465 0.904 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638125196 417341353 /nfs/dbraw/zinc/34/13/53/417341353.db2.gz DGQIRKMAAWSMCB-DOTOQJQBSA-N 1 3 318.465 0.904 20 0 DCADHO C[C@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@@H]1C[NH3+] ZINC000415210963 417343502 /nfs/dbraw/zinc/34/35/02/417343502.db2.gz ISVBAENQDAPACG-QWHCGFSZSA-N 1 3 308.430 1.036 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638245924 417390221 /nfs/dbraw/zinc/39/02/21/417390221.db2.gz YVRYIYZYZOTBJS-HOTGVXAUSA-N 1 3 316.449 0.704 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000638270558 417398635 /nfs/dbraw/zinc/39/86/35/417398635.db2.gz ZIRBZSQGNLTDQP-XHSDSOJGSA-N 1 3 304.438 0.689 20 0 DCADHO COC1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[NH2+]CC1 ZINC000570846419 417399090 /nfs/dbraw/zinc/39/90/90/417399090.db2.gz WTSMIBHNYZBMQH-LSDHHAIUSA-N 1 3 321.396 0.847 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000570928067 417406842 /nfs/dbraw/zinc/40/68/42/417406842.db2.gz YTNOGKPPRDKGDI-UHFFFAOYSA-N 1 3 314.474 0.443 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000638304873 417416744 /nfs/dbraw/zinc/41/67/44/417416744.db2.gz VNYJKBDSZFNDNA-QGZVFWFLSA-N 1 3 318.465 0.998 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000638304873 417416748 /nfs/dbraw/zinc/41/67/48/417416748.db2.gz VNYJKBDSZFNDNA-QGZVFWFLSA-N 1 3 318.465 0.998 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364059 417433211 /nfs/dbraw/zinc/43/32/11/417433211.db2.gz AAHHYDTYRAHTDL-ZIAGYGMSSA-N 1 3 301.431 0.357 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000570570419 417367787 /nfs/dbraw/zinc/36/77/87/417367787.db2.gz PENHGDATZBFHSU-RFGFWPKPSA-N 1 3 312.458 0.465 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638190054 417370847 /nfs/dbraw/zinc/37/08/47/417370847.db2.gz HOPSVGYNPAWLMN-AWEZNQCLSA-N 1 3 301.431 0.230 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000638198369 417373051 /nfs/dbraw/zinc/37/30/51/417373051.db2.gz WUFDTSDQOACPRO-BBWFWOEESA-N 1 3 316.449 0.799 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000638198369 417373055 /nfs/dbraw/zinc/37/30/55/417373055.db2.gz WUFDTSDQOACPRO-BBWFWOEESA-N 1 3 316.449 0.799 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529329631 417440699 /nfs/dbraw/zinc/44/06/99/417440699.db2.gz YTEIAOXSPCTWCD-ZFWWWQNUSA-N 1 3 312.458 0.737 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)C[C@H]2N)cn1 ZINC000529352599 417446618 /nfs/dbraw/zinc/44/66/18/417446618.db2.gz YXOUTUPGUNAMDR-BFHYXJOUSA-N 1 3 318.425 0.141 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CC[NH2+]C12CCC2 ZINC000529352168 417448214 /nfs/dbraw/zinc/44/82/14/417448214.db2.gz PWOGFHLWTOWNQH-KBPBESRZSA-N 1 3 310.442 0.417 20 0 DCADHO O=C(CCC1C[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000638405179 417448426 /nfs/dbraw/zinc/44/84/26/417448426.db2.gz ABQWRSKIKRGOHB-QGZVFWFLSA-N 1 3 317.433 0.869 20 0 DCADHO O=C(CN1CCNCC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000638413172 417450124 /nfs/dbraw/zinc/45/01/24/417450124.db2.gz XCXQXZMIRJJTSI-HOTGVXAUSA-N 1 3 320.412 0.293 20 0 DCADHO Cn1ncnc1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000638692257 417537204 /nfs/dbraw/zinc/53/72/04/417537204.db2.gz FRWOOERHFAXQBR-UHFFFAOYSA-N 1 3 306.458 0.855 20 0 DCADHO Cn1ncnc1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000638692257 417537213 /nfs/dbraw/zinc/53/72/13/417537213.db2.gz FRWOOERHFAXQBR-UHFFFAOYSA-N 1 3 306.458 0.855 20 0 DCADHO Cn1ncnc1C[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000638718382 417540352 /nfs/dbraw/zinc/54/03/52/417540352.db2.gz HMGOIRSAMRNQRA-UHFFFAOYSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@H+](C)CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530824127 417591304 /nfs/dbraw/zinc/59/13/04/417591304.db2.gz IQAZASRFLRTKON-QGZVFWFLSA-N 1 3 305.422 0.691 20 0 DCADHO CC[N@@H+](C)CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530824127 417591306 /nfs/dbraw/zinc/59/13/06/417591306.db2.gz IQAZASRFLRTKON-QGZVFWFLSA-N 1 3 305.422 0.691 20 0 DCADHO CN1CCC(n2cc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cn2)CC1 ZINC000638976917 417594935 /nfs/dbraw/zinc/59/49/35/417594935.db2.gz HENICNDDHXKORD-UONOGXRCSA-N 1 3 307.398 0.452 20 0 DCADHO CO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000531240144 417609884 /nfs/dbraw/zinc/60/98/84/417609884.db2.gz ICBDYJXPNIWPGD-UONOGXRCSA-N 1 3 314.474 0.935 20 0 DCADHO CC[NH+](CC)CCOC1CCN(CC2(CO)COC2)CC1 ZINC000531802133 417640648 /nfs/dbraw/zinc/64/06/48/417640648.db2.gz NTBWREFJWZPOEQ-UHFFFAOYSA-N 1 3 300.443 0.818 20 0 DCADHO CC(C)(C(=O)NC[C@@H]1NCCc2ccccc21)N1CC[NH2+]CC1 ZINC000577164716 417669098 /nfs/dbraw/zinc/66/90/98/417669098.db2.gz XPMRBEBKOZTTKJ-INIZCTEOSA-N 1 3 316.449 0.673 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000635606681 417719006 /nfs/dbraw/zinc/71/90/06/417719006.db2.gz KAHUETYBTOXEHI-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000635606681 417719009 /nfs/dbraw/zinc/71/90/09/417719009.db2.gz KAHUETYBTOXEHI-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000458091151 417721506 /nfs/dbraw/zinc/72/15/06/417721506.db2.gz MVEDLFSZUUNOBE-KBPBESRZSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2CCOC3(CCN(C)CC3)C2)CC[N@@H+]1C ZINC000645324031 417730073 /nfs/dbraw/zinc/73/00/73/417730073.db2.gz XZOCLSXJMUPKQR-GJZGRUSLSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2CCOC3(CCN(C)CC3)C2)CC[N@H+]1C ZINC000645324031 417730079 /nfs/dbraw/zinc/73/00/79/417730079.db2.gz XZOCLSXJMUPKQR-GJZGRUSLSA-N 1 3 324.469 0.975 20 0 DCADHO COCCN(C)C[C@H](O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983172 417773947 /nfs/dbraw/zinc/77/39/47/417773947.db2.gz DDSVSNRYOLGKPG-INIZCTEOSA-N 1 3 313.486 0.876 20 0 DCADHO COCCNCC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662658669 417838523 /nfs/dbraw/zinc/83/85/23/417838523.db2.gz HNNIUJFVUWWHDZ-KRWDZBQOSA-N 1 3 319.449 0.998 20 0 DCADHO COCCNCC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662658669 417838530 /nfs/dbraw/zinc/83/85/30/417838530.db2.gz HNNIUJFVUWWHDZ-KRWDZBQOSA-N 1 3 319.449 0.998 20 0 DCADHO C[NH+](C)CCCOC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000646162801 417792726 /nfs/dbraw/zinc/79/27/26/417792726.db2.gz DKOXHVFLZSEHIA-LLVKDONJSA-N 1 3 311.348 0.835 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652192335 417860947 /nfs/dbraw/zinc/86/09/47/417860947.db2.gz YLYILHADIUPVLX-XQLPTFJDSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@@H](CNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)N(C)C ZINC000652197903 417861577 /nfs/dbraw/zinc/86/15/77/417861577.db2.gz PEANGUROTRHACZ-ZQDZILKHSA-N 1 3 312.458 0.864 20 0 DCADHO CCO[C@@H]1CN(C(=O)NCc2ccc3c(c2)CNC3)C[C@H]1C[NH3+] ZINC000652215948 417867391 /nfs/dbraw/zinc/86/73/91/417867391.db2.gz DNBUMBNHDXARSN-HZPDHXFCSA-N 1 3 318.421 0.795 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662803094 417909147 /nfs/dbraw/zinc/90/91/47/417909147.db2.gz VHAWUWXMIOOSHL-AWEZNQCLSA-N 1 3 320.441 0.759 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240607 417870383 /nfs/dbraw/zinc/87/03/83/417870383.db2.gz IUVALOXRANUSNA-AWEZNQCLSA-N 1 3 312.458 0.868 20 0 DCADHO NCc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000646580134 417872078 /nfs/dbraw/zinc/87/20/78/417872078.db2.gz YQHRQURZELHQCF-CYBMUJFWSA-N 1 3 300.366 0.914 20 0 DCADHO CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000662720215 417872786 /nfs/dbraw/zinc/87/27/86/417872786.db2.gz WFLFMCYGHJPRHP-AAEUAGOBSA-N 1 3 303.410 0.795 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000662730540 417875937 /nfs/dbraw/zinc/87/59/37/417875937.db2.gz IMDQYFAECPJHPZ-FVQBIDKESA-N 1 3 305.422 0.987 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662753649 417892781 /nfs/dbraw/zinc/89/27/81/417892781.db2.gz UUOBIMYQJYQLQR-CABCVRRESA-N 1 3 313.442 0.356 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000662789028 417906181 /nfs/dbraw/zinc/90/61/81/417906181.db2.gz ZLIQLGJMUTXEOJ-CVEARBPZSA-N 1 3 308.470 0.600 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1(C)C ZINC000647042062 417976333 /nfs/dbraw/zinc/97/63/33/417976333.db2.gz JUJRCLATVQVYAQ-WQVCFCJDSA-N 1 3 313.442 0.404 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055001 417978381 /nfs/dbraw/zinc/97/83/81/417978381.db2.gz HJXNILJBXJAFAL-APNQJHFZSA-N 1 3 307.438 0.777 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662840179 417922972 /nfs/dbraw/zinc/92/29/72/417922972.db2.gz YUERCUXOWAFPGY-IPYPFGDCSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662840179 417922978 /nfs/dbraw/zinc/92/29/78/417922978.db2.gz YUERCUXOWAFPGY-IPYPFGDCSA-N 1 3 310.442 0.219 20 0 DCADHO CN(C)CCn1cc(NC(=O)NCCC2CC[NH2+]CC2)cn1 ZINC000652581406 417930366 /nfs/dbraw/zinc/93/03/66/417930366.db2.gz ZZPZJNRHWQDZAV-UHFFFAOYSA-N 1 3 308.430 0.956 20 0 DCADHO O=C(C[C@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000662867361 417931055 /nfs/dbraw/zinc/93/10/55/417931055.db2.gz ZEELEHUSPQZJKT-JYJNAYRXSA-N 1 3 321.396 0.766 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cn1 ZINC000652611917 417931529 /nfs/dbraw/zinc/93/15/29/417931529.db2.gz AXGYQRVKGKWCHP-JTQLQIEISA-N 1 3 322.335 0.846 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652621741 417933201 /nfs/dbraw/zinc/93/32/01/417933201.db2.gz STPQQYXTLGJHDD-UHFFFAOYSA-N 1 3 324.429 0.017 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC1CCN(C)CC1 ZINC000652666629 417938810 /nfs/dbraw/zinc/93/88/10/417938810.db2.gz NUGHVKWRPPQJQB-UHFFFAOYSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652703225 417949818 /nfs/dbraw/zinc/94/98/18/417949818.db2.gz NEFKFOJFMYPVOL-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713669 417953835 /nfs/dbraw/zinc/95/38/35/417953835.db2.gz UQBZBMOQOZLPFW-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000662925203 417954538 /nfs/dbraw/zinc/95/45/38/417954538.db2.gz DYWITOJHMXMMEN-XOYHFGRZSA-N 1 3 320.437 0.023 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725791 417956614 /nfs/dbraw/zinc/95/66/14/417956614.db2.gz TWJKGIVMZZTQGK-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)CCC1 ZINC000652724932 417956999 /nfs/dbraw/zinc/95/69/99/417956999.db2.gz QYHVUQZYFVYUSZ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)[C@H]1C[NH3+] ZINC000652732564 417959231 /nfs/dbraw/zinc/95/92/31/417959231.db2.gz NXCROWPCNGNXMA-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000652734057 417960590 /nfs/dbraw/zinc/96/05/90/417960590.db2.gz YXQIXBIXSXZLJL-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@](C)(N)c1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641047837 417964763 /nfs/dbraw/zinc/96/47/63/417964763.db2.gz POSANHUKQVIPLV-INIZCTEOSA-N 1 3 322.457 0.851 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)[nH]1 ZINC000647001685 417969782 /nfs/dbraw/zinc/96/97/82/417969782.db2.gz MSTSOCKQFHQXQT-JTQLQIEISA-N 1 3 300.366 0.869 20 0 DCADHO CN(C)CCN1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1=O ZINC000653037540 418015927 /nfs/dbraw/zinc/01/59/27/418015927.db2.gz GQDWIFGDOVHKOU-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCN1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1=O ZINC000653037540 418015930 /nfs/dbraw/zinc/01/59/30/418015930.db2.gz GQDWIFGDOVHKOU-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)NC(=O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663491362 418025931 /nfs/dbraw/zinc/02/59/31/418025931.db2.gz FOUAOPVIOQQCFN-ZDUSSCGKSA-N 1 3 315.462 0.082 20 0 DCADHO CC(C)NC(=O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663491362 418025933 /nfs/dbraw/zinc/02/59/33/418025933.db2.gz FOUAOPVIOQQCFN-ZDUSSCGKSA-N 1 3 315.462 0.082 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000663493490 418027787 /nfs/dbraw/zinc/02/77/87/418027787.db2.gz IHPUMSCKDOYLFS-GFCCVEGCSA-N 1 3 307.467 0.268 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N(C)C)cc1 ZINC000653112347 418029699 /nfs/dbraw/zinc/02/96/99/418029699.db2.gz WAOHJROGNHHCJQ-HOTGVXAUSA-N 1 3 306.454 0.993 20 0 DCADHO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653148052 418037056 /nfs/dbraw/zinc/03/70/56/418037056.db2.gz MOVSTQHWYGZZAR-SJORKVTESA-N 1 3 318.465 0.998 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000663616333 418038715 /nfs/dbraw/zinc/03/87/15/418038715.db2.gz VYRHHWNHRROCMN-INIZCTEOSA-N 1 3 304.394 0.555 20 0 DCADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H]1c1cccc(F)c1 ZINC000653164144 418040891 /nfs/dbraw/zinc/04/08/91/418040891.db2.gz RORSRKDLQOEQLX-FAYQHZLMSA-N 1 3 319.380 0.315 20 0 DCADHO COCCNCCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659529463 418111705 /nfs/dbraw/zinc/11/17/05/418111705.db2.gz YFGUYMULAKHHRH-AWEZNQCLSA-N 1 3 312.458 0.929 20 0 DCADHO COCCNCCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659529463 418111709 /nfs/dbraw/zinc/11/17/09/418111709.db2.gz YFGUYMULAKHHRH-AWEZNQCLSA-N 1 3 312.458 0.929 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659542170 418115198 /nfs/dbraw/zinc/11/51/98/418115198.db2.gz YPAOYYJBIJUYCY-BPLDGKMQSA-N 1 3 310.442 0.809 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000647778882 418054451 /nfs/dbraw/zinc/05/44/51/418054451.db2.gz CQFYOWGEHORKJA-MRXNPFEDSA-N 1 3 302.422 0.237 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000659094910 418057670 /nfs/dbraw/zinc/05/76/70/418057670.db2.gz RUFGEZPQFGEFSC-GFCCVEGCSA-N 1 3 306.410 0.849 20 0 DCADHO CC1CC[NH+](CCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000647993818 418086030 /nfs/dbraw/zinc/08/60/30/418086030.db2.gz QQPQKCLKAIUZIR-GJZGRUSLSA-N 1 3 312.458 0.425 20 0 DCADHO CN1CCN(CC[NH2+]C[C@@H]2CNc3ccnn3C2)CC1(C)C ZINC000648031339 418089910 /nfs/dbraw/zinc/08/99/10/418089910.db2.gz OFIGIHFADHHYKK-CQSZACIVSA-N 1 3 306.458 0.540 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CNc2ccnn2C1 ZINC000648034722 418090386 /nfs/dbraw/zinc/09/03/86/418090386.db2.gz CJYDOJHMSZSGPI-HNNXBMFYSA-N 1 3 320.485 0.883 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CNc2ccnn2C1 ZINC000648034722 418090389 /nfs/dbraw/zinc/09/03/89/418090389.db2.gz CJYDOJHMSZSGPI-HNNXBMFYSA-N 1 3 320.485 0.883 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000659462587 418100175 /nfs/dbraw/zinc/10/01/75/418100175.db2.gz AWDYPXIVHHWTCA-CYBMUJFWSA-N 1 3 300.447 0.783 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000659461135 418100375 /nfs/dbraw/zinc/10/03/75/418100375.db2.gz WVWCHLOAPNDDBB-LSDHHAIUSA-N 1 3 313.490 0.543 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)CN1 ZINC000659608084 418125427 /nfs/dbraw/zinc/12/54/27/418125427.db2.gz KFOLRLFOHPZBKK-IPYPFGDCSA-N 1 3 310.442 0.632 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659607926 418125452 /nfs/dbraw/zinc/12/54/52/418125452.db2.gz HRZYNKOQYFZVQL-HZPDHXFCSA-N 1 3 322.453 0.776 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659608117 418125785 /nfs/dbraw/zinc/12/57/85/418125785.db2.gz KWEVPGJFSJRSHG-GUTXKFCHSA-N 1 3 310.442 0.632 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000659681454 418145545 /nfs/dbraw/zinc/14/55/45/418145545.db2.gz VTUXMFBWIZANHP-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC[N@@H+]1C ZINC000648761829 418152047 /nfs/dbraw/zinc/15/20/47/418152047.db2.gz URQQBOWTAFNVFA-BPLDGKMQSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC[N@H+]1C ZINC000648761829 418152049 /nfs/dbraw/zinc/15/20/49/418152049.db2.gz URQQBOWTAFNVFA-BPLDGKMQSA-N 1 3 322.453 0.267 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659703115 418154055 /nfs/dbraw/zinc/15/40/55/418154055.db2.gz XKSMRITYGIWUEG-UHFFFAOYSA-N 1 3 320.437 0.560 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000659710376 418156203 /nfs/dbraw/zinc/15/62/03/418156203.db2.gz QVTUYLRJCMUKHK-ZDUSSCGKSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000659714639 418157920 /nfs/dbraw/zinc/15/79/20/418157920.db2.gz KSBVUAWWLGYHFW-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000659714925 418159097 /nfs/dbraw/zinc/15/90/97/418159097.db2.gz OFBNREIRUHCGIJ-AVGNSLFASA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659717759 418160488 /nfs/dbraw/zinc/16/04/88/418160488.db2.gz KMOVUOUNQBHZTG-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000659726135 418165060 /nfs/dbraw/zinc/16/50/60/418165060.db2.gz CEMPELGGOWVWEJ-XQLPTFJDSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000659729643 418165837 /nfs/dbraw/zinc/16/58/37/418165837.db2.gz VCRCGKCIRPIMOK-LBPRGKRZSA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCCC1 ZINC000659734520 418168442 /nfs/dbraw/zinc/16/84/42/418168442.db2.gz QGPYYWQIEWYPMS-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659738008 418170956 /nfs/dbraw/zinc/17/09/56/418170956.db2.gz XQBCQWWGWKEHPG-OLZOCXBDSA-N 1 3 308.426 0.069 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000659745524 418174884 /nfs/dbraw/zinc/17/48/84/418174884.db2.gz ALJQZOBIPZOEHY-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000659750100 418176519 /nfs/dbraw/zinc/17/65/19/418176519.db2.gz MRRGSQUTTHOVFR-MCIONIFRSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)CN1CCN(C)CC1 ZINC000649351258 418246743 /nfs/dbraw/zinc/24/67/43/418246743.db2.gz BUYWZMPYRMUOAF-CHWSQXEVSA-N 1 3 318.412 0.231 20 0 DCADHO CC(C)C[C@@H](CNC(=O)CN1CCCC[C@H](N)C1=O)[NH+](C)C ZINC000649285166 418223287 /nfs/dbraw/zinc/22/32/87/418223287.db2.gz PHTSMYNPDGGYDL-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)C[NH2+]C1(CO)CCN(C[C@@H](O)CN(C)C2CC2)CC1 ZINC000660697571 418281891 /nfs/dbraw/zinc/28/18/91/418281891.db2.gz IIAWSFMMLUYTPV-INIZCTEOSA-N 1 3 313.486 0.514 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028527 418321260 /nfs/dbraw/zinc/32/12/60/418321260.db2.gz MABLXDGBKRNNGV-ZIAGYGMSSA-N 1 3 308.426 0.069 20 0 DCADHO CC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028992 418321449 /nfs/dbraw/zinc/32/14/49/418321449.db2.gz TUUTUEZQXBGVCG-KGLIPLIRSA-N 1 3 322.453 0.459 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000655576419 418277973 /nfs/dbraw/zinc/27/79/73/418277973.db2.gz NRHXPUGETIWVCR-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000655576419 418277975 /nfs/dbraw/zinc/27/79/75/418277975.db2.gz NRHXPUGETIWVCR-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000656310945 418344079 /nfs/dbraw/zinc/34/40/79/418344079.db2.gz GXFPXIAYXSRMLJ-SOUVJXGZSA-N 1 3 322.453 0.043 20 0 DCADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@H]3CC[NH2+][C@H](C)C3)C[C@H]21 ZINC000656791960 418376533 /nfs/dbraw/zinc/37/65/33/418376533.db2.gz MVHOEMGZJLTTCT-HTOAHKCRSA-N 1 3 302.440 0.118 20 0 DCADHO CN1CCC[C@H](N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000662265543 418395180 /nfs/dbraw/zinc/39/51/80/418395180.db2.gz QTWHUILZOJMTLP-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)c1cccc2c1CCNC2 ZINC000662391484 418406654 /nfs/dbraw/zinc/40/66/54/418406654.db2.gz ZDEGUIFMXTYXBM-UHFFFAOYSA-N 1 3 302.422 0.357 20 0 DCADHO O=C(NCCN1CCCCCC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662379958 418404611 /nfs/dbraw/zinc/40/46/11/418404611.db2.gz GJUBZAQIWUOKNY-UHFFFAOYSA-N 1 3 320.441 0.808 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N(C)CC(=O)OC)C[C@@H]1C ZINC000354225664 261192521 /nfs/dbraw/zinc/19/25/21/261192521.db2.gz SNNORFMQCCHETB-UONOGXRCSA-N 1 3 313.442 0.813 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N(C)CC(=O)OC)C[C@@H]1C ZINC000354225664 261192523 /nfs/dbraw/zinc/19/25/23/261192523.db2.gz SNNORFMQCCHETB-UONOGXRCSA-N 1 3 313.442 0.813 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354671412 261255500 /nfs/dbraw/zinc/25/55/00/261255500.db2.gz JQPPQHUREPPCNK-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354673343 261256404 /nfs/dbraw/zinc/25/64/04/261256404.db2.gz SDNZUXRWJGUIHX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354673343 261256405 /nfs/dbraw/zinc/25/64/05/261256405.db2.gz SDNZUXRWJGUIHX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354703609 261262382 /nfs/dbraw/zinc/26/23/82/261262382.db2.gz ZSRPTWHMJXSYNX-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CC[NH+](CC)CCSCC(=O)NCC1(O)CCN(C)CC1 ZINC000354724474 261264365 /nfs/dbraw/zinc/26/43/65/261264365.db2.gz DFOMIHCIMJRPNC-UHFFFAOYSA-N 1 3 317.499 0.634 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000354743580 261266528 /nfs/dbraw/zinc/26/65/28/261266528.db2.gz RMDGOHYVSXTADJ-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000355282465 261325898 /nfs/dbraw/zinc/32/58/98/261325898.db2.gz RXIUCJHECQKKKL-MCIONIFRSA-N 1 3 312.458 0.241 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355884858 261373913 /nfs/dbraw/zinc/37/39/13/261373913.db2.gz XUEQWEAKIFYROS-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000362718024 262065391 /nfs/dbraw/zinc/06/53/91/262065391.db2.gz YQDAFIXHZGBFFQ-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000362718024 262065393 /nfs/dbraw/zinc/06/53/93/262065393.db2.gz YQDAFIXHZGBFFQ-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CNCCO1 ZINC000417050396 262244519 /nfs/dbraw/zinc/24/45/19/262244519.db2.gz WXIOJLPUGJLRLX-HUUCEWRRSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CNCCO1 ZINC000417050396 262244520 /nfs/dbraw/zinc/24/45/20/262244520.db2.gz WXIOJLPUGJLRLX-HUUCEWRRSA-N 1 3 312.458 0.929 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000417099420 262246202 /nfs/dbraw/zinc/24/62/02/262246202.db2.gz ZXKHUMXSIWSZCO-UONOGXRCSA-N 1 3 300.447 0.866 20 0 DCADHO COCCNCCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000417194949 262247385 /nfs/dbraw/zinc/24/73/85/262247385.db2.gz PRBRSFDRVJOMPC-CQSZACIVSA-N 1 3 300.447 0.644 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000417545653 262255200 /nfs/dbraw/zinc/25/52/00/262255200.db2.gz KCVMJMAJSFYMIW-AWEZNQCLSA-N 1 3 312.458 0.912 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000417549625 262255419 /nfs/dbraw/zinc/25/54/19/262255419.db2.gz UDXJASXMFNALJB-CQSZACIVSA-N 1 3 312.458 0.912 20 0 DCADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1CNCCO1 ZINC000417717059 262259212 /nfs/dbraw/zinc/25/92/12/262259212.db2.gz VAXDGOWQEACZIE-HNNXBMFYSA-N 1 3 312.458 0.930 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417753121 262260496 /nfs/dbraw/zinc/26/04/96/262260496.db2.gz NZMSODNFYHSZMR-KGLIPLIRSA-N 1 3 300.447 0.581 20 0 DCADHO C[NH+](C)[C@]1(CNC(=O)N2CCNC(C)(C)C2)CCSC1 ZINC000417836783 262263679 /nfs/dbraw/zinc/26/36/79/262263679.db2.gz VDURSSSYNWAMAE-AWEZNQCLSA-N 1 3 300.472 0.817 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418066161 262268975 /nfs/dbraw/zinc/26/89/75/262268975.db2.gz LAYCLMWPDJFPBT-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418114059 262270086 /nfs/dbraw/zinc/27/00/86/262270086.db2.gz KYULUZJGYGAXOX-KFWWJZLASA-N 1 3 312.458 0.866 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000418375997 262275845 /nfs/dbraw/zinc/27/58/45/262275845.db2.gz XWWXXUVVULDHHZ-CABCVRRESA-N 1 3 312.458 0.521 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418526120 262281472 /nfs/dbraw/zinc/28/14/72/262281472.db2.gz NANAITNYIRFOEG-RHSMWYFYSA-N 1 3 320.437 0.660 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418574486 262282865 /nfs/dbraw/zinc/28/28/65/262282865.db2.gz MBQOOJDSILSSHD-HUUCEWRRSA-N 1 3 312.458 0.521 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418655268 262285416 /nfs/dbraw/zinc/28/54/16/262285416.db2.gz QLZJDQUUANJOAY-HOCLYGCPSA-N 1 3 320.437 0.927 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418685568 262286403 /nfs/dbraw/zinc/28/64/03/262286403.db2.gz MXSYQMLFIIBMFY-UXLLHSPISA-N 1 3 318.421 0.108 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418848559 262292574 /nfs/dbraw/zinc/29/25/74/262292574.db2.gz LQIAEWFUDNBXQY-HNNXBMFYSA-N 1 3 320.437 0.001 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418856480 262293355 /nfs/dbraw/zinc/29/33/55/262293355.db2.gz WWBXHHOOQXMXQY-HNNXBMFYSA-N 1 3 320.437 0.001 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419008224 262303845 /nfs/dbraw/zinc/30/38/45/262303845.db2.gz VHQDDLNMAGWGBS-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419018150 262305329 /nfs/dbraw/zinc/30/53/29/262305329.db2.gz BROAVAJPEQOFRN-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419017675 262305344 /nfs/dbraw/zinc/30/53/44/262305344.db2.gz BFXHTSIQVTZEPS-CRWXNKLISA-N 1 3 310.442 0.029 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419018151 262305459 /nfs/dbraw/zinc/30/54/59/262305459.db2.gz BROAVAJPEQOFRN-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419073864 262306458 /nfs/dbraw/zinc/30/64/58/262306458.db2.gz CXUWUHJZIRGCBP-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419077374 262306763 /nfs/dbraw/zinc/30/67/63/262306763.db2.gz JBGLDUSQMRDBBM-UONOGXRCSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419075495 262306779 /nfs/dbraw/zinc/30/67/79/262306779.db2.gz GEVJTFBFRQCFPK-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419095722 262309024 /nfs/dbraw/zinc/30/90/24/262309024.db2.gz BKXKSCQOAMRZDR-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419119466 262310451 /nfs/dbraw/zinc/31/04/51/262310451.db2.gz JXAHXFZDSKNMPZ-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419126472 262311181 /nfs/dbraw/zinc/31/11/81/262311181.db2.gz WYLFQCKCXGKROW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000419162519 262315137 /nfs/dbraw/zinc/31/51/37/262315137.db2.gz UOMDIZDARNRRCR-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419163725 262315148 /nfs/dbraw/zinc/31/51/48/262315148.db2.gz WXSYIOVTLJBNDO-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419170544 262316329 /nfs/dbraw/zinc/31/63/29/262316329.db2.gz NTERUJLILVWYEJ-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419487069 262334389 /nfs/dbraw/zinc/33/43/89/262334389.db2.gz YMUKBAUDEWARDB-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419487069 262334390 /nfs/dbraw/zinc/33/43/90/262334390.db2.gz YMUKBAUDEWARDB-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C1CC1 ZINC000419509204 262336783 /nfs/dbraw/zinc/33/67/83/262336783.db2.gz DOPBXYMMZLWAGV-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000419626973 262343344 /nfs/dbraw/zinc/34/33/44/262343344.db2.gz DERZOUOOFZCJRI-OAHLLOKOSA-N 1 3 318.421 0.314 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419698703 262347608 /nfs/dbraw/zinc/34/76/08/262347608.db2.gz TVRRXQKQNQUWBP-TZMCWYRMSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCC[C@H](C)C1 ZINC000419884657 262351919 /nfs/dbraw/zinc/35/19/19/262351919.db2.gz XTJBGLRWWDIMTP-HESLUPGFSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419980496 262355413 /nfs/dbraw/zinc/35/54/13/262355413.db2.gz QZQKOJQTEZXZOK-KFWWJZLASA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419994545 262356800 /nfs/dbraw/zinc/35/68/00/262356800.db2.gz JLTXIRSKKYYZKU-RDBSUJKOSA-N 1 3 312.458 0.323 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420073005 262359787 /nfs/dbraw/zinc/35/97/87/262359787.db2.gz XTACRXZEOJLVAD-KKUMJFAQSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000420099149 262360490 /nfs/dbraw/zinc/36/04/90/262360490.db2.gz JUBHBYYHNRHANV-RHSMWYFYSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000420138488 262362648 /nfs/dbraw/zinc/36/26/48/262362648.db2.gz FKZOMXLRCCVFNS-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422180565 262399673 /nfs/dbraw/zinc/39/96/73/262399673.db2.gz FMDZBWMQKPFTGZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000422977943 262426138 /nfs/dbraw/zinc/42/61/38/262426138.db2.gz YANKBXFLNTWYKV-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423191228 262432192 /nfs/dbraw/zinc/43/21/92/262432192.db2.gz OTAQGLHKCJZOCI-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000418461409 271245809 /nfs/dbraw/zinc/24/58/09/271245809.db2.gz JCFYRHCMVZJHMX-CABCVRRESA-N 1 3 313.490 0.829 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418470741 271247633 /nfs/dbraw/zinc/24/76/33/271247633.db2.gz LPBLJAVSKAQUTJ-KGLIPLIRSA-N 1 3 311.474 0.391 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419027326 271266141 /nfs/dbraw/zinc/26/61/41/271266141.db2.gz OPEVXVNECUIJME-OCCSQVGLSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCC(C)CC1 ZINC000419143496 271275309 /nfs/dbraw/zinc/27/53/09/271275309.db2.gz DNKPDYZGHXYQBM-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)N(C)C1CC1 ZINC000419577453 271309787 /nfs/dbraw/zinc/30/97/87/271309787.db2.gz DDGUURUAKVGARO-IUODEOHRSA-N 1 3 324.469 0.609 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419584526 271311074 /nfs/dbraw/zinc/31/10/74/271311074.db2.gz KWWSALPADCZWDU-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000419581962 271311911 /nfs/dbraw/zinc/31/19/11/271311911.db2.gz IWKVROJCTOKWKO-MBNYWOFBSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419703209 271322253 /nfs/dbraw/zinc/32/22/53/271322253.db2.gz VXTBAHHINDBPLB-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419816456 271327334 /nfs/dbraw/zinc/32/73/34/271327334.db2.gz IFKVPPFEKBXFIU-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO NCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000419823743 271329813 /nfs/dbraw/zinc/32/98/13/271329813.db2.gz YDRCXPAHYUJNAV-CQSZACIVSA-N 1 3 310.442 0.176 20 0 DCADHO [NH3+]CCCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419833647 271332519 /nfs/dbraw/zinc/33/25/19/271332519.db2.gz QHRHJGWMIWNTDG-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419895625 271339274 /nfs/dbraw/zinc/33/92/74/271339274.db2.gz SJMILKQBLTXOAL-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419942423 271347147 /nfs/dbraw/zinc/34/71/47/271347147.db2.gz ZUMSQOJMNBYZCR-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420047406 271355639 /nfs/dbraw/zinc/35/56/39/271355639.db2.gz COJGWKOOSOXSDO-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420214294 271364215 /nfs/dbraw/zinc/36/42/15/271364215.db2.gz VGAFTJCWXCSXKT-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420211261 271364756 /nfs/dbraw/zinc/36/47/56/271364756.db2.gz OBCDAHMZXGEZAZ-GBJTYRQASA-N 1 3 322.453 0.091 20 0 DCADHO CN1CCN(C(=O)CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422721116 271380419 /nfs/dbraw/zinc/38/04/19/271380419.db2.gz UPBZNDBYTCGCLO-XHSDSOJGSA-N 1 3 308.470 0.661 20 0 DCADHO CC(=O)N1CCN(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422866933 271390597 /nfs/dbraw/zinc/39/05/97/271390597.db2.gz RECPRNMNPMMYFJ-BRWVUGGUSA-N 1 3 308.470 0.661 20 0 DCADHO CC(=O)N1CCN(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422866935 271390681 /nfs/dbraw/zinc/39/06/81/271390681.db2.gz RECPRNMNPMMYFJ-ZACQAIPSSA-N 1 3 308.470 0.661 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000471656807 272028190 /nfs/dbraw/zinc/02/81/90/272028190.db2.gz UNVRUTBHFTWPBK-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000491866270 272108374 /nfs/dbraw/zinc/10/83/74/272108374.db2.gz JEXVWQBFWJYQMZ-SNAWJCMRSA-N 1 3 303.410 0.890 20 0 DCADHO C[NH+](C)C/C=C\C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000492530909 272133871 /nfs/dbraw/zinc/13/38/71/272133871.db2.gz INXBMPKPYZSAJY-AFCDSYGPSA-N 1 3 317.433 0.987 20 0 DCADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCNc1ccncc1 ZINC000496243309 272302433 /nfs/dbraw/zinc/30/24/33/272302433.db2.gz ITCBVMHYXXDHAG-UHFFFAOYSA-N 1 3 322.413 0.554 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2c(cnn2C)c1 ZINC000530641779 287752419 /nfs/dbraw/zinc/75/24/19/287752419.db2.gz JYGCNPIDSJHPAX-UHFFFAOYSA-N 1 3 318.425 0.534 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(C)CCOCC1 ZINC000534308554 287811663 /nfs/dbraw/zinc/81/16/63/287811663.db2.gz OBILDIXEQHXXHW-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000263246540 277904175 /nfs/dbraw/zinc/90/41/75/277904175.db2.gz NBEGPYDWNMICMT-HOCLYGCPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000340266714 278251869 /nfs/dbraw/zinc/25/18/69/278251869.db2.gz VSWBXFJUJHKJQX-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000377811439 278280101 /nfs/dbraw/zinc/28/01/01/278280101.db2.gz LZXSSDAEFSBEGX-BHYGNILZSA-N 1 3 322.497 0.622 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419433961 279290067 /nfs/dbraw/zinc/29/00/67/279290067.db2.gz ZUFWXMRTEIKKBL-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N(C)C ZINC000366236287 280067162 /nfs/dbraw/zinc/06/71/62/280067162.db2.gz LEUYKPMKGWMUDB-CVEARBPZSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N(C)C ZINC000366236287 280067166 /nfs/dbraw/zinc/06/71/66/280067166.db2.gz LEUYKPMKGWMUDB-CVEARBPZSA-N 1 3 310.486 0.954 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC=CCC1 ZINC000556663284 288381964 /nfs/dbraw/zinc/38/19/64/288381964.db2.gz ZXTPMADDKUTCCL-OAHLLOKOSA-N 1 3 324.469 0.411 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000556942868 288404176 /nfs/dbraw/zinc/40/41/76/288404176.db2.gz NHHFDTDLGSJNFH-GFCCVEGCSA-N 1 3 318.421 0.727 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)C(=O)NCCN1CCCCC1 ZINC000565831613 288881096 /nfs/dbraw/zinc/88/10/96/288881096.db2.gz AZBKCPZCKCTYJM-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000410706368 289126985 /nfs/dbraw/zinc/12/69/85/289126985.db2.gz TWAJYCPVMHEJDG-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000410472251 289289879 /nfs/dbraw/zinc/28/98/79/289289879.db2.gz RJVQBIYXRKSIHF-PBHICJAKSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410472251 289289886 /nfs/dbraw/zinc/28/98/86/289289886.db2.gz RJVQBIYXRKSIHF-PBHICJAKSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331373 289331686 /nfs/dbraw/zinc/33/16/86/289331686.db2.gz BUPFZMGGRZOVDC-UPJWGTAASA-N 1 3 308.426 0.685 20 0 DCADHO CN1CCN(CCCNC(=O)C2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000262146468 290041725 /nfs/dbraw/zinc/04/17/25/290041725.db2.gz QFBNECLMNQOZKZ-MRXNPFEDSA-N 1 3 316.449 0.973 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000343921953 297002861 /nfs/dbraw/zinc/00/28/61/297002861.db2.gz JMSMFLAIQMNUPA-SJORKVTESA-N 1 3 310.486 0.276 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000343921953 297002863 /nfs/dbraw/zinc/00/28/63/297002863.db2.gz JMSMFLAIQMNUPA-SJORKVTESA-N 1 3 310.486 0.276 20 0 DCADHO C[C@@H]1CN(CCN2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343921953 297002864 /nfs/dbraw/zinc/00/28/64/297002864.db2.gz JMSMFLAIQMNUPA-SJORKVTESA-N 1 3 310.486 0.276 20 0 DCADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000261625760 295314626 /nfs/dbraw/zinc/31/46/26/295314626.db2.gz BFCWKRBWVNZRAO-LSDHHAIUSA-N 1 3 322.453 0.271 20 0 DCADHO [NH3+][C@H]1CCc2nc(NC(=O)c3n[nH]c4c3CNCC4)sc2C1 ZINC000377585094 295342106 /nfs/dbraw/zinc/34/21/06/295342106.db2.gz SZWAEYIXVTUJSA-ZETCQYMHSA-N 1 3 318.406 0.580 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419414472 298557410 /nfs/dbraw/zinc/55/74/10/298557410.db2.gz DXBHDXDBUAQYKJ-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001350015940 1159175666 /nfs/dbraw/zinc/17/56/66/1159175666.db2.gz WVXQAMMISHEWPL-HZSPNIEDSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)S(C)(=O)=O ZINC000577512786 332283602 /nfs/dbraw/zinc/28/36/02/332283602.db2.gz WHCYGWJJYJGCFY-ZYHUDNBSSA-N 1 3 302.440 0.656 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000582972460 337224554 /nfs/dbraw/zinc/22/45/54/337224554.db2.gz FTTVDCKKEXCXKN-CQSZACIVSA-N 1 3 323.441 0.285 20 0 DCADHO CC[NH+](CC)CCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000191782667 338624304 /nfs/dbraw/zinc/62/43/04/338624304.db2.gz HHUJDJHPLHYOHP-UHFFFAOYSA-N 1 3 310.486 0.958 20 0 DCADHO C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000577232259 341899258 /nfs/dbraw/zinc/89/92/58/341899258.db2.gz YXYRVSSXJARXTR-MHEUCROKSA-N 1 3 316.405 0.093 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001567555325 1160419618 /nfs/dbraw/zinc/41/96/18/1160419618.db2.gz IDRJYDDBYMWERS-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000415476403 533866221 /nfs/dbraw/zinc/86/62/21/533866221.db2.gz BYDMWHYIDHMWLY-CQSZACIVSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCCNCC2)([NH+](C)C)C1 ZINC000331907627 533898637 /nfs/dbraw/zinc/89/86/37/533898637.db2.gz AIQJRWXXXDAIDW-PBHICJAKSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1 ZINC000188713792 521797269 /nfs/dbraw/zinc/79/72/69/521797269.db2.gz QBFNGTWOCUKIBO-DZGCQCFKSA-N 1 3 309.385 0.943 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)c3cnccc3N)CC2)CC1 ZINC000188140690 523768590 /nfs/dbraw/zinc/76/85/90/523768590.db2.gz JDZCJQAMKWZVDG-UHFFFAOYSA-N 1 3 317.437 0.952 20 0 DCADHO C[C@H](CC(N)=O)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000267252839 524085309 /nfs/dbraw/zinc/08/53/09/524085309.db2.gz OLUAURKKJWUKDE-CQSZACIVSA-N 1 3 304.438 0.788 20 0 DCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN(C)C ZINC000410911630 528063423 /nfs/dbraw/zinc/06/34/23/528063423.db2.gz RGNUWGZOGQSXSB-UHFFFAOYSA-N 1 3 300.447 0.197 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422284141 535219126 /nfs/dbraw/zinc/21/91/26/535219126.db2.gz PDADINBSLDTSBO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422284141 535219130 /nfs/dbraw/zinc/21/91/30/535219130.db2.gz PDADINBSLDTSBO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCC[C@]2(CCN(C(=O)NCCN3CC[NH2+]CC3)C2)C1 ZINC000333798596 546092927 /nfs/dbraw/zinc/09/29/27/546092927.db2.gz HJYWYIIJEROOSI-INIZCTEOSA-N 1 3 309.458 0.019 20 0 DCADHO CC1(C)NC(=O)N(CCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000342086425 546119015 /nfs/dbraw/zinc/11/90/15/546119015.db2.gz OIOBEKVHGLDBIH-RWMBFGLXSA-N 1 3 308.426 0.766 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358089792 546189343 /nfs/dbraw/zinc/18/93/43/546189343.db2.gz CFRGYQVYPDLFMJ-AWEZNQCLSA-N 1 3 324.469 0.601 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358089792 546189346 /nfs/dbraw/zinc/18/93/46/546189346.db2.gz CFRGYQVYPDLFMJ-AWEZNQCLSA-N 1 3 324.469 0.601 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415542234 546237421 /nfs/dbraw/zinc/23/74/21/546237421.db2.gz AAURGJCUKCIZJK-UHFFFAOYSA-N 1 3 306.410 0.673 20 0 DCADHO CN1CCN(CCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC000418177618 546245763 /nfs/dbraw/zinc/24/57/63/546245763.db2.gz VUPSVPKRDSJYQL-KGLIPLIRSA-N 1 3 311.474 0.582 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@]1(C)CCOC1 ZINC000665760665 546396014 /nfs/dbraw/zinc/39/60/14/546396014.db2.gz MNIDKEIWCIMFIK-ZFWWWQNUSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@]1(C)CCOC1 ZINC000665760665 546396020 /nfs/dbraw/zinc/39/60/20/546396020.db2.gz MNIDKEIWCIMFIK-ZFWWWQNUSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@H](CO)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763618 546397514 /nfs/dbraw/zinc/39/75/14/546397514.db2.gz HIMCOIYQHVGHAK-UONOGXRCSA-N 1 3 302.463 0.671 20 0 DCADHO CC[C@H](CO)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763618 546397519 /nfs/dbraw/zinc/39/75/19/546397519.db2.gz HIMCOIYQHVGHAK-UONOGXRCSA-N 1 3 302.463 0.671 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804527 546513802 /nfs/dbraw/zinc/51/38/02/546513802.db2.gz QRJFENVRRUFCAE-AWEZNQCLSA-N 1 3 304.394 0.684 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000669389524 546965204 /nfs/dbraw/zinc/96/52/04/546965204.db2.gz KPQKGDCBELGUCW-GFCCVEGCSA-N 1 3 300.472 0.994 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000669529293 546985304 /nfs/dbraw/zinc/98/53/04/546985304.db2.gz LCLLREAUFGYJER-ZBFHGGJFSA-N 1 3 312.458 0.929 20 0 DCADHO CN1CCN(C(=O)CCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000669930989 547032590 /nfs/dbraw/zinc/03/25/90/547032590.db2.gz SRXKXRYBOJGVRV-UHFFFAOYSA-N 1 3 317.437 0.368 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672010906 547311940 /nfs/dbraw/zinc/31/19/40/547311940.db2.gz YYSIXLLZMJJDTJ-UMVBOHGHSA-N 1 3 324.469 0.241 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000673673762 547514713 /nfs/dbraw/zinc/51/47/13/547514713.db2.gz XCYXUGANMAYACP-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000680498970 548149355 /nfs/dbraw/zinc/14/93/55/548149355.db2.gz DKUBIVJSFDCXLZ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCc3cnc[nH]3)C2)CC1 ZINC000684440297 548606210 /nfs/dbraw/zinc/60/62/10/548606210.db2.gz HYOHOEMUOOEXEN-AWEZNQCLSA-N 1 3 305.426 0.627 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)CCc3cnc[nH]3)C2)CC1 ZINC000684440297 548606212 /nfs/dbraw/zinc/60/62/12/548606212.db2.gz HYOHOEMUOOEXEN-AWEZNQCLSA-N 1 3 305.426 0.627 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978794754 660603794 /nfs/dbraw/zinc/60/37/94/660603794.db2.gz FGHQZIRMEMHBHB-WCXIOVBPSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000978794754 660603795 /nfs/dbraw/zinc/60/37/95/660603795.db2.gz FGHQZIRMEMHBHB-WCXIOVBPSA-N 1 3 323.481 0.926 20 0 DCADHO C[N@H+](CCn1cccn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406485 660933573 /nfs/dbraw/zinc/93/35/73/660933573.db2.gz PMEFLCQJEYSQAO-HNNXBMFYSA-N 1 3 305.426 0.512 20 0 DCADHO C[N@@H+](CCn1cccn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406485 660933575 /nfs/dbraw/zinc/93/35/75/660933575.db2.gz PMEFLCQJEYSQAO-HNNXBMFYSA-N 1 3 305.426 0.512 20 0 DCADHO Cn1nccc1CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407181 660933751 /nfs/dbraw/zinc/93/37/51/660933751.db2.gz WYUBZJGKMNYYLJ-MRXNPFEDSA-N 1 3 319.453 0.591 20 0 DCADHO Cn1nccc1CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407181 660933753 /nfs/dbraw/zinc/93/37/53/660933753.db2.gz WYUBZJGKMNYYLJ-MRXNPFEDSA-N 1 3 319.453 0.591 20 0 DCADHO COC[C@H](C)N1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981169118 661090306 /nfs/dbraw/zinc/09/03/06/661090306.db2.gz OURASHWIZHLJRK-HOCLYGCPSA-N 1 3 309.454 0.897 20 0 DCADHO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCN(CCCF)CC1 ZINC000981211031 661104246 /nfs/dbraw/zinc/10/42/46/661104246.db2.gz ZFZUODCAPPMCRY-HUUCEWRRSA-N 1 3 313.417 0.744 20 0 DCADHO O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCN(CCCF)CC1 ZINC000981211031 661104248 /nfs/dbraw/zinc/10/42/48/661104248.db2.gz ZFZUODCAPPMCRY-HUUCEWRRSA-N 1 3 313.417 0.744 20 0 DCADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000981843389 661232747 /nfs/dbraw/zinc/23/27/47/661232747.db2.gz ZWPBNSNZGRMWRR-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000981843389 661232748 /nfs/dbraw/zinc/23/27/48/661232748.db2.gz ZWPBNSNZGRMWRR-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)O)C2)N(C)C ZINC000981992224 661268324 /nfs/dbraw/zinc/26/83/24/661268324.db2.gz SJGPEXPXQCKUGB-HUUCEWRRSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)O)C2)N(C)C ZINC000981992224 661268325 /nfs/dbraw/zinc/26/83/25/661268325.db2.gz SJGPEXPXQCKUGB-HUUCEWRRSA-N 1 3 311.470 0.878 20 0 DCADHO C[C@H](O)CN1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028194959 661270269 /nfs/dbraw/zinc/27/02/69/661270269.db2.gz HJXNZJLKZIAXAO-DZGCQCFKSA-N 1 3 323.441 0.020 20 0 DCADHO CO[C@@H](C)CN1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765367 665464090 /nfs/dbraw/zinc/46/40/90/665464090.db2.gz XARXDEZENMXLIO-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891537613 657464085 /nfs/dbraw/zinc/46/40/85/657464085.db2.gz LODKRTUDHHOVPR-QKPAOTATSA-N 1 3 324.469 0.927 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891537612 657464930 /nfs/dbraw/zinc/46/49/30/657464930.db2.gz LODKRTUDHHOVPR-FZKCQIBNSA-N 1 3 324.469 0.927 20 0 DCADHO CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891547936 657472785 /nfs/dbraw/zinc/47/27/85/657472785.db2.gz RYMCJOFLFGBGNK-HOTGVXAUSA-N 1 3 324.469 0.711 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001023084253 657486482 /nfs/dbraw/zinc/48/64/82/657486482.db2.gz LNSPMPWOSPKFFK-MELADBBJSA-N 1 3 318.421 0.779 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001023084253 657486485 /nfs/dbraw/zinc/48/64/85/657486485.db2.gz LNSPMPWOSPKFFK-MELADBBJSA-N 1 3 318.421 0.779 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001023086351 657489292 /nfs/dbraw/zinc/48/92/92/657489292.db2.gz JCVZXHYJFXPYFN-SOUVJXGZSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023086351 657489296 /nfs/dbraw/zinc/48/92/96/657489296.db2.gz JCVZXHYJFXPYFN-SOUVJXGZSA-N 1 3 303.410 0.474 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891579488 657495692 /nfs/dbraw/zinc/49/56/92/657495692.db2.gz FXXOWYYBURUIQI-DOTOQJQBSA-N 1 3 323.485 0.265 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001023126439 657538736 /nfs/dbraw/zinc/53/87/36/657538736.db2.gz WFYPVJJZISCGGS-FPMFFAJLSA-N 1 3 318.421 0.472 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001023128581 657539877 /nfs/dbraw/zinc/53/98/77/657539877.db2.gz KXMHECYHUJCUEH-XHSDSOJGSA-N 1 3 319.453 0.994 20 0 DCADHO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000998721508 665512338 /nfs/dbraw/zinc/51/23/38/665512338.db2.gz MMXYJSWAEJGSCE-HUUCEWRRSA-N 1 3 305.426 0.595 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1(C)C ZINC000891881319 657871115 /nfs/dbraw/zinc/87/11/15/657871115.db2.gz VSIDUAJTTYFEAP-WMLDXEAASA-N 1 3 323.485 0.596 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000970801338 657915208 /nfs/dbraw/zinc/91/52/08/657915208.db2.gz XZQNANOVDDAEJJ-CVEARBPZSA-N 1 3 319.453 0.948 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452993 657937027 /nfs/dbraw/zinc/93/70/27/657937027.db2.gz VOZFMAYILDZAIA-WCCAFZKYSA-N 1 3 305.422 0.496 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n[nH]1 ZINC000969722156 658102079 /nfs/dbraw/zinc/10/20/79/658102079.db2.gz MPKWNOPXRAUPMF-FPMFFAJLSA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n[nH]1 ZINC000969722156 658102081 /nfs/dbraw/zinc/10/20/81/658102081.db2.gz MPKWNOPXRAUPMF-FPMFFAJLSA-N 1 3 320.441 0.534 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)ncn1 ZINC001020588890 658159365 /nfs/dbraw/zinc/15/93/65/658159365.db2.gz PMYLJEJVAZCIMG-BPLDGKMQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)ncn1 ZINC001020588890 658159369 /nfs/dbraw/zinc/15/93/69/658159369.db2.gz PMYLJEJVAZCIMG-BPLDGKMQSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCOC3)C2)C1 ZINC001020589169 658161142 /nfs/dbraw/zinc/16/11/42/658161142.db2.gz YIJLFCLJSOHOPC-QKPAOTATSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001020586603 658163162 /nfs/dbraw/zinc/16/31/62/658163162.db2.gz STPAOWAHRGHKKS-AVGNSLFASA-N 1 3 306.414 0.036 20 0 DCADHO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cn1 ZINC001020591089 658171785 /nfs/dbraw/zinc/17/17/85/658171785.db2.gz DGGRBFDXABALFE-SHTZXODSSA-N 1 3 319.453 0.889 20 0 DCADHO CN1CCN(CC[NH2+][C@@H]2CCOC23CCOCC3)CC1(C)C ZINC000926356826 658207656 /nfs/dbraw/zinc/20/76/56/658207656.db2.gz KMOJNDHFSYURIB-OAHLLOKOSA-N 1 3 311.470 0.940 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC000969985632 658325583 /nfs/dbraw/zinc/32/55/83/658325583.db2.gz KDMCOKXOGWGLSQ-CABCVRRESA-N 1 3 307.442 0.493 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001022710977 658348796 /nfs/dbraw/zinc/34/87/96/658348796.db2.gz QEUDQCQVJXFCSX-YUELXQCFSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892431872 658468191 /nfs/dbraw/zinc/46/81/91/658468191.db2.gz YNTNMTTUSMGECP-RBSFLKMASA-N 1 3 312.458 0.567 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001024162233 658495523 /nfs/dbraw/zinc/49/55/23/658495523.db2.gz SJSWLEBCSFJOTJ-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001020928488 658589931 /nfs/dbraw/zinc/58/99/31/658589931.db2.gz GDODJYWGPJRJTG-KKUMJFAQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001020928488 658589935 /nfs/dbraw/zinc/58/99/35/658589935.db2.gz GDODJYWGPJRJTG-KKUMJFAQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001020935326 658601293 /nfs/dbraw/zinc/60/12/93/658601293.db2.gz ATYBIHPMWJIIKD-HDJSIYSDSA-N 1 3 315.421 0.618 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892492943 658721617 /nfs/dbraw/zinc/72/16/17/658721617.db2.gz YYLJXEXMDOZNNR-ZDUSSCGKSA-N 1 3 300.447 0.378 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891439980 658766611 /nfs/dbraw/zinc/76/66/11/658766611.db2.gz SSCXVTVKJUINTP-GJZGRUSLSA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)C[C@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000924442165 658811958 /nfs/dbraw/zinc/81/19/58/658811958.db2.gz WNCCCQORINFVGZ-LSDHHAIUSA-N 1 3 316.405 0.743 20 0 DCADHO CN(C)C[C@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000924442165 658811970 /nfs/dbraw/zinc/81/19/70/658811970.db2.gz WNCCCQORINFVGZ-LSDHHAIUSA-N 1 3 316.405 0.743 20 0 DCADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+][C@H]2CCNC2=O)CCC1 ZINC001024985402 658847226 /nfs/dbraw/zinc/84/72/26/658847226.db2.gz PZUGBODFFULDOD-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981320 658890632 /nfs/dbraw/zinc/89/06/32/658890632.db2.gz JXJUIQYKGRCWOK-BETUJISGSA-N 1 3 318.425 0.131 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000924465187 658924374 /nfs/dbraw/zinc/92/43/74/658924374.db2.gz IHDKPRZVNIZJGS-CQSZACIVSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccnn3C)C2)CCC1 ZINC000999345974 665633272 /nfs/dbraw/zinc/63/32/72/665633272.db2.gz CHVUNFOBYJRUAT-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001027172904 659060019 /nfs/dbraw/zinc/06/00/19/659060019.db2.gz HIFQMORFTHNHAW-AWEZNQCLSA-N 1 3 317.437 0.454 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1C ZINC001027215009 659085057 /nfs/dbraw/zinc/08/50/57/659085057.db2.gz BDQSJJVCDBMCHD-GJZGRUSLSA-N 1 3 319.453 0.618 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001027215009 659085059 /nfs/dbraw/zinc/08/50/59/659085059.db2.gz BDQSJJVCDBMCHD-GJZGRUSLSA-N 1 3 319.453 0.618 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217899 659089634 /nfs/dbraw/zinc/08/96/34/659089634.db2.gz RSIJMAQWDULGKY-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)C1 ZINC000999407751 665642297 /nfs/dbraw/zinc/64/22/97/665642297.db2.gz GFKKGPXSDLUJLQ-FHERZECASA-N 1 3 319.453 0.804 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC000999492284 665653407 /nfs/dbraw/zinc/65/34/07/665653407.db2.gz ZSPPLHAKBTXLQQ-GDBMZVCRSA-N 1 3 321.469 0.883 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892788893 659457404 /nfs/dbraw/zinc/45/74/04/659457404.db2.gz KYPZYOKUUCYSMK-YAJUMTOWSA-N 1 3 300.406 0.834 20 0 DCADHO CC(C)([NH3+])CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000892859275 659489049 /nfs/dbraw/zinc/48/90/49/659489049.db2.gz VCWGRPOWOGCCPB-UHFFFAOYSA-N 1 3 312.458 0.868 20 0 DCADHO CC(C)(CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CS(N)(=O)=O ZINC000925727762 659569979 /nfs/dbraw/zinc/56/99/79/659569979.db2.gz ROHFWZHCKKYJBM-WOPDTQHZSA-N 1 3 303.472 0.667 20 0 DCADHO CC(C)(C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CS(N)(=O)=O ZINC000925727762 659569983 /nfs/dbraw/zinc/56/99/83/659569983.db2.gz ROHFWZHCKKYJBM-WOPDTQHZSA-N 1 3 303.472 0.667 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019771767 659609460 /nfs/dbraw/zinc/60/94/60/659609460.db2.gz YZICLSDKZGTWRW-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019771767 659609465 /nfs/dbraw/zinc/60/94/65/659609465.db2.gz YZICLSDKZGTWRW-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019820771 659619526 /nfs/dbraw/zinc/61/95/26/659619526.db2.gz XZQNANOVDDAEJJ-HOTGVXAUSA-N 1 3 319.453 0.948 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](CNCc2nncn2C)C1)[NH+](C)C ZINC001026900985 659629874 /nfs/dbraw/zinc/62/98/74/659629874.db2.gz HEVMOXZAGSBJLZ-HIFRSBDPSA-N 1 3 322.457 0.339 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000999846368 665691113 /nfs/dbraw/zinc/69/11/13/665691113.db2.gz CWAPCAFTVMAGCP-ZDUSSCGKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000999846368 665691116 /nfs/dbraw/zinc/69/11/16/665691116.db2.gz CWAPCAFTVMAGCP-ZDUSSCGKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC1CN(C(=O)[C@H]2CCCCN2C)C1 ZINC000999849065 665691495 /nfs/dbraw/zinc/69/14/95/665691495.db2.gz PZMZLURRJJIHCO-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2CCCCN2C)C1 ZINC000999849065 665691497 /nfs/dbraw/zinc/69/14/97/665691497.db2.gz PZMZLURRJJIHCO-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CC1(C)CN(CCO)C[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000977441205 659716806 /nfs/dbraw/zinc/71/68/06/659716806.db2.gz ROFZSISFWNVHCZ-INIZCTEOSA-N 1 3 323.481 0.927 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001000197588 665772457 /nfs/dbraw/zinc/77/24/57/665772457.db2.gz ITDKXGXANJYCBF-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](NCc3cnnn3C)C2)C1 ZINC001000193501 665769599 /nfs/dbraw/zinc/76/95/99/665769599.db2.gz QMBCAZUXZNNIST-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NCc3cnnn3C)C2)C1 ZINC001000193501 665769601 /nfs/dbraw/zinc/76/96/01/665769601.db2.gz QMBCAZUXZNNIST-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894385945 661950170 /nfs/dbraw/zinc/95/01/70/661950170.db2.gz XTABMKRRCXOECH-CHWSQXEVSA-N 1 3 319.396 0.658 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896749552 662310334 /nfs/dbraw/zinc/31/03/34/662310334.db2.gz RWDXUDUPGMORRI-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896749552 662310336 /nfs/dbraw/zinc/31/03/36/662310336.db2.gz RWDXUDUPGMORRI-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccnn3C)C2)C1 ZINC000984805523 662316522 /nfs/dbraw/zinc/31/65/22/662316522.db2.gz UEPLHJUYPUHXOZ-KKUMJFAQSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC000984807956 662317176 /nfs/dbraw/zinc/31/71/76/662317176.db2.gz KJVSWCLBKZOBOQ-HKUMRIAESA-N 1 3 323.466 0.720 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC000984807956 662317177 /nfs/dbraw/zinc/31/71/77/662317177.db2.gz KJVSWCLBKZOBOQ-HKUMRIAESA-N 1 3 323.466 0.720 20 0 DCADHO CN(CCF)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442580 662448917 /nfs/dbraw/zinc/44/89/17/662448917.db2.gz IVULREXYFBORRA-HUUCEWRRSA-N 1 3 313.417 0.742 20 0 DCADHO CN(CCF)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442580 662448918 /nfs/dbraw/zinc/44/89/18/662448918.db2.gz IVULREXYFBORRA-HUUCEWRRSA-N 1 3 313.417 0.742 20 0 DCADHO CN(Cc1cnn(C)c1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985788265 662512883 /nfs/dbraw/zinc/51/28/83/662512883.db2.gz UBUHZLYXFYSWFT-HNNXBMFYSA-N 1 3 319.453 0.795 20 0 DCADHO CN(Cc1cnn(C)c1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985788265 662512884 /nfs/dbraw/zinc/51/28/84/662512884.db2.gz UBUHZLYXFYSWFT-HNNXBMFYSA-N 1 3 319.453 0.795 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029902291 662552476 /nfs/dbraw/zinc/55/24/76/662552476.db2.gz OWUYWTCXHWNQGH-GDBMZVCRSA-N 1 3 319.453 0.652 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029902291 662552477 /nfs/dbraw/zinc/55/24/77/662552477.db2.gz OWUYWTCXHWNQGH-GDBMZVCRSA-N 1 3 319.453 0.652 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534812 662686627 /nfs/dbraw/zinc/68/66/27/662686627.db2.gz WNVFHXJXSXIEIS-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000938040760 662856485 /nfs/dbraw/zinc/85/64/85/662856485.db2.gz MJLJIVHVLFVEJK-LXTVHRRPSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000938040760 662856487 /nfs/dbraw/zinc/85/64/87/662856487.db2.gz MJLJIVHVLFVEJK-LXTVHRRPSA-N 1 3 322.453 0.138 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000690436 665910265 /nfs/dbraw/zinc/91/02/65/665910265.db2.gz UKLLPYSZNLXBDG-KBPBESRZSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000690436 665910269 /nfs/dbraw/zinc/91/02/69/665910269.db2.gz UKLLPYSZNLXBDG-KBPBESRZSA-N 1 3 320.441 0.536 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989336578 662903211 /nfs/dbraw/zinc/90/32/11/662903211.db2.gz NFBLRHFTMUVRDG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989336578 662903212 /nfs/dbraw/zinc/90/32/12/662903212.db2.gz NFBLRHFTMUVRDG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989393206 662909212 /nfs/dbraw/zinc/90/92/12/662909212.db2.gz YSUKALYLENTUCX-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(CC2CC[NH+](CC3CC3)CC2)C1=O ZINC000925315932 662916852 /nfs/dbraw/zinc/91/68/52/662916852.db2.gz GDOHFZXFSXQBIM-AWEZNQCLSA-N 1 3 308.426 0.590 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N(C)C ZINC000898117457 662939526 /nfs/dbraw/zinc/93/95/26/662939526.db2.gz CLLHUVWLIWKDGO-HNNXBMFYSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCn2cccn2)CN1C(=O)Cc1c[nH]cn1 ZINC000989491217 662953380 /nfs/dbraw/zinc/95/33/80/662953380.db2.gz DVTNXIYKZSIJQL-TZMCWYRMSA-N 1 3 302.382 0.428 20 0 DCADHO C[C@H]1C[C@H](NCCF)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618292 662965052 /nfs/dbraw/zinc/96/50/52/662965052.db2.gz HJNBTTGDYSKWBP-STQMWFEESA-N 1 3 301.406 0.646 20 0 DCADHO C[C@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683337 662971403 /nfs/dbraw/zinc/97/14/03/662971403.db2.gz PKUQEBUSGBLKTC-ZFWWWQNUSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000989797733 662980322 /nfs/dbraw/zinc/98/03/22/662980322.db2.gz ZWOWRFCJUDEUOP-ZBFHGGJFSA-N 1 3 319.453 0.637 20 0 DCADHO CC[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941102750 665923529 /nfs/dbraw/zinc/92/35/29/665923529.db2.gz RLEMBEKAEXBURG-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941102750 665923531 /nfs/dbraw/zinc/92/35/31/665923531.db2.gz RLEMBEKAEXBURG-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CCN(C2CC2)C1 ZINC000900664279 663267605 /nfs/dbraw/zinc/26/76/05/663267605.db2.gz IKTOHYWAXOEEQX-CQSZACIVSA-N 1 3 305.426 0.753 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000921277 665962474 /nfs/dbraw/zinc/96/24/74/665962474.db2.gz XORPJMMBGNWQDO-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000921277 665962475 /nfs/dbraw/zinc/96/24/75/665962475.db2.gz XORPJMMBGNWQDO-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000903469932 663456047 /nfs/dbraw/zinc/45/60/47/663456047.db2.gz DIDVQOBWLWMEMY-CHWSQXEVSA-N 1 3 301.456 0.532 20 0 DCADHO CC[C@@H](C)[C@@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)OC ZINC000903499118 663457089 /nfs/dbraw/zinc/45/70/89/663457089.db2.gz GOSBODFQPCFTHT-RGCMKSIDSA-N 1 3 313.442 0.607 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000929803 665965317 /nfs/dbraw/zinc/96/53/17/665965317.db2.gz SLLFMKVFIYIXOG-QWHCGFSZSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000929803 665965320 /nfs/dbraw/zinc/96/53/20/665965320.db2.gz SLLFMKVFIYIXOG-QWHCGFSZSA-N 1 3 306.414 0.145 20 0 DCADHO O=S1(=O)CCCN1CCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903749633 663477091 /nfs/dbraw/zinc/47/70/91/663477091.db2.gz NJZPDUFWIPUCDT-CQSZACIVSA-N 1 3 301.456 0.343 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCC(CCC(N)=O)CC2)cnn1C ZINC000903895592 663493539 /nfs/dbraw/zinc/49/35/39/663493539.db2.gz OPZBIHFCCYZPNY-OAHLLOKOSA-N 1 3 321.469 0.823 20 0 DCADHO COC[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000903959297 663497935 /nfs/dbraw/zinc/49/79/35/663497935.db2.gz DYNDNWPTJJWDGG-YCPHGPKFSA-N 1 3 323.441 0.734 20 0 DCADHO O=S1(=O)CCNC[C@@H]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000903970448 663498837 /nfs/dbraw/zinc/49/88/37/663498837.db2.gz XJTFCRDZPSYJLU-BYNSBNAKSA-N 1 3 315.483 0.273 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)NC1CCN(CC2CC2)CC1 ZINC000905334299 663549845 /nfs/dbraw/zinc/54/98/45/663549845.db2.gz QGDPUBXBNOOFHX-UHFFFAOYSA-N 1 3 315.483 0.780 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)Nn3ccnn3)CC2)CC1 ZINC000908825673 663770927 /nfs/dbraw/zinc/77/09/27/663770927.db2.gz RCJWOENGXBSHTF-UHFFFAOYSA-N 1 3 306.414 0.545 20 0 DCADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000910878909 663947949 /nfs/dbraw/zinc/94/79/49/663947949.db2.gz KGMLHVCXQBGOBD-UHFFFAOYSA-N 1 3 308.426 0.894 20 0 DCADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000910878909 663947952 /nfs/dbraw/zinc/94/79/52/663947952.db2.gz KGMLHVCXQBGOBD-UHFFFAOYSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])N1CCCCC1 ZINC000910946702 663961525 /nfs/dbraw/zinc/96/15/25/663961525.db2.gz PNPGLOWYWUINQV-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CCCCC1 ZINC000910946833 663961669 /nfs/dbraw/zinc/96/16/69/663961669.db2.gz QAWKIGWSGJXRJP-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911053841 663972618 /nfs/dbraw/zinc/97/26/18/663972618.db2.gz CYSZHKVEZCDXRQ-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911054894 663973184 /nfs/dbraw/zinc/97/31/84/663973184.db2.gz MPWRXOFFUQRTSW-RRFJBIMHSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911161532 663995587 /nfs/dbraw/zinc/99/55/87/663995587.db2.gz LMTGSCFDTFOUPX-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911161807 663995746 /nfs/dbraw/zinc/99/57/46/663995746.db2.gz NATHQWUIEUWFGZ-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911205289 664004843 /nfs/dbraw/zinc/00/48/43/664004843.db2.gz BHXYMJDSIMZNRN-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911222333 664007846 /nfs/dbraw/zinc/00/78/46/664007846.db2.gz CYMIKHTVULQLHA-LSDHHAIUSA-N 1 3 322.453 0.235 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911257730 664017012 /nfs/dbraw/zinc/01/70/12/664017012.db2.gz KUJMFUHQZVEOIM-REWJHTLYSA-N 1 3 322.453 0.232 20 0 DCADHO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@@H]1[NH3+] ZINC000911324361 664027874 /nfs/dbraw/zinc/02/78/74/664027874.db2.gz BESSYWRLQKUIFF-MCIONIFRSA-N 1 3 322.453 0.315 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000911335870 664030193 /nfs/dbraw/zinc/03/01/93/664030193.db2.gz BUYOSQQEEYFLJP-MJBXVCDLSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911337026 664037731 /nfs/dbraw/zinc/03/77/31/664037731.db2.gz OOPFFTPSSSZCSX-JJRVBVJISA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000911401133 664048153 /nfs/dbraw/zinc/04/81/53/664048153.db2.gz PBHPECVOAMXHMW-RBSFLKMASA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1cnccn1 ZINC000912303932 664160356 /nfs/dbraw/zinc/16/03/56/664160356.db2.gz NDVXZYOULTVXHK-KBPBESRZSA-N 1 3 307.442 0.968 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)c1cnccn1 ZINC000912303932 664160358 /nfs/dbraw/zinc/16/03/58/664160358.db2.gz NDVXZYOULTVXHK-KBPBESRZSA-N 1 3 307.442 0.968 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991479780 664361768 /nfs/dbraw/zinc/36/17/68/664361768.db2.gz PRKDLUITKXUYOO-LSDHHAIUSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000991479780 664361771 /nfs/dbraw/zinc/36/17/71/664361771.db2.gz PRKDLUITKXUYOO-LSDHHAIUSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC000992371256 664703432 /nfs/dbraw/zinc/70/34/32/664703432.db2.gz MQIOCCXPHVRZFM-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC000992371256 664703433 /nfs/dbraw/zinc/70/34/33/664703433.db2.gz MQIOCCXPHVRZFM-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)CCC1 ZINC000992708257 664760105 /nfs/dbraw/zinc/76/01/05/664760105.db2.gz GIAXYKYQADGJCS-BFHYXJOUSA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(N)=O)[C@H]3C2)CCC1 ZINC000992708264 664760187 /nfs/dbraw/zinc/76/01/87/664760187.db2.gz GIAXYKYQADGJCS-IHRRRGAJSA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)CCC1 ZINC000992708277 664760190 /nfs/dbraw/zinc/76/01/90/664760190.db2.gz GIAXYKYQADGJCS-MJBXVCDLSA-N 1 3 322.453 0.173 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1)C1CCC1 ZINC000992719123 664760846 /nfs/dbraw/zinc/76/08/46/664760846.db2.gz ZGZPPYRMBJQRPV-BPUTZDHNSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCCN1CCO ZINC000993475080 664971410 /nfs/dbraw/zinc/97/14/10/664971410.db2.gz DXIWSOGHBFESBN-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000918880653 665187931 /nfs/dbraw/zinc/18/79/31/665187931.db2.gz DPYDRGRNIPRAGD-CZUORRHYSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000918880653 665187933 /nfs/dbraw/zinc/18/79/33/665187933.db2.gz DPYDRGRNIPRAGD-CZUORRHYSA-N 1 3 322.453 0.776 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(COC2)O1 ZINC000930115487 665257823 /nfs/dbraw/zinc/25/78/23/665257823.db2.gz YKWSESBBUXFJGF-MRXNPFEDSA-N 1 3 311.470 0.892 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(COC2)O1 ZINC000930115487 665257826 /nfs/dbraw/zinc/25/78/26/665257826.db2.gz YKWSESBBUXFJGF-MRXNPFEDSA-N 1 3 311.470 0.892 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000938319024 665334882 /nfs/dbraw/zinc/33/48/82/665334882.db2.gz CTWBTTOHXHZXHT-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545662 665388669 /nfs/dbraw/zinc/38/86/69/665388669.db2.gz KDXMIOMKERYYBL-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545662 665388671 /nfs/dbraw/zinc/38/86/71/665388671.db2.gz KDXMIOMKERYYBL-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCN(C3CN(CC4CC4)C3)CC2)CC1 ZINC000941544991 666018065 /nfs/dbraw/zinc/01/80/65/666018065.db2.gz GSQVHAYLQMCBCB-UHFFFAOYSA-N 1 3 320.481 0.567 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000921938496 666186673 /nfs/dbraw/zinc/18/66/73/666186673.db2.gz XRZUJQOVOHXODF-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001004146811 666458690 /nfs/dbraw/zinc/45/86/90/666458690.db2.gz AVHLVRYJRBBKMP-AWEZNQCLSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001004146811 666458691 /nfs/dbraw/zinc/45/86/91/666458691.db2.gz AVHLVRYJRBBKMP-AWEZNQCLSA-N 1 3 305.426 0.415 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000996438224 666785616 /nfs/dbraw/zinc/78/56/16/666785616.db2.gz YCSQEZXNZVAIDP-CZUORRHYSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000996438224 666785618 /nfs/dbraw/zinc/78/56/18/666785618.db2.gz YCSQEZXNZVAIDP-CZUORRHYSA-N 1 3 324.469 0.241 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033663710 666786054 /nfs/dbraw/zinc/78/60/54/666786054.db2.gz YEVLVOXZUTZIQX-GDBMZVCRSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033663710 666786055 /nfs/dbraw/zinc/78/60/55/666786055.db2.gz YEVLVOXZUTZIQX-GDBMZVCRSA-N 1 3 319.453 0.447 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996679830 666858716 /nfs/dbraw/zinc/85/87/16/666858716.db2.gz QXIBECLFVWTDRH-INIZCTEOSA-N 1 3 319.453 0.841 20 0 DCADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC)C1 ZINC001033905268 666864020 /nfs/dbraw/zinc/86/40/20/666864020.db2.gz KEOBAUJGTIRCBC-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC)C1 ZINC001033905268 666864024 /nfs/dbraw/zinc/86/40/24/666864024.db2.gz KEOBAUJGTIRCBC-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000996711622 666869020 /nfs/dbraw/zinc/86/90/20/666869020.db2.gz JXYOPHPNJGLYBU-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000861735521 666968988 /nfs/dbraw/zinc/96/89/88/666968988.db2.gz NOLOIALTSFMKEX-KBPBESRZSA-N 1 3 320.437 0.429 20 0 DCADHO C[NH+](C)CCNC(=S)N1CCN(CC2CCOCC2)CC1 ZINC000735987699 667069189 /nfs/dbraw/zinc/06/91/89/667069189.db2.gz SVJONCATEJTAHM-UHFFFAOYSA-N 1 3 314.499 0.467 20 0 DCADHO O=C(CN1CCCC1)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001034573166 667069539 /nfs/dbraw/zinc/06/95/39/667069539.db2.gz HUJZYBPTQZTBKK-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccnn2C)CCC1 ZINC001034956654 667198391 /nfs/dbraw/zinc/19/83/91/667198391.db2.gz DIKHKLHQCCDZQW-OAHLLOKOSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001034973727 667201369 /nfs/dbraw/zinc/20/13/69/667201369.db2.gz BQBJSBHEJMICNS-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001035028659 667220074 /nfs/dbraw/zinc/22/00/74/667220074.db2.gz RPXMYUFQCHMQMS-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001035028659 667220076 /nfs/dbraw/zinc/22/00/76/667220076.db2.gz RPXMYUFQCHMQMS-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nonc1C ZINC000736672214 667222805 /nfs/dbraw/zinc/22/28/05/667222805.db2.gz JQBAGPCIVJJOCK-CYBMUJFWSA-N 1 3 309.414 0.866 20 0 DCADHO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035719880 667403615 /nfs/dbraw/zinc/40/36/15/667403615.db2.gz CMBIKYYIBOHGCA-UKRRQHHQSA-N 1 3 309.454 0.632 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CCOC)[C@H](C)C1 ZINC000884221303 667502737 /nfs/dbraw/zinc/50/27/37/667502737.db2.gz OSUZGVPHHTXSNH-KFWWJZLASA-N 1 3 315.458 0.603 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CCOC)[C@H](C)C1 ZINC000884221303 667502739 /nfs/dbraw/zinc/50/27/39/667502739.db2.gz OSUZGVPHHTXSNH-KFWWJZLASA-N 1 3 315.458 0.603 20 0 DCADHO COCC[C@@H]([NH3+])C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000884232402 667506336 /nfs/dbraw/zinc/50/63/36/667506336.db2.gz QIEBAGMWLZBZJM-CHWSQXEVSA-N 1 3 307.394 0.706 20 0 DCADHO Cc1nc(C)n([C@H]2CCCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000923323077 667508144 /nfs/dbraw/zinc/50/81/44/667508144.db2.gz PWASQGCVKNQMKL-GJZGRUSLSA-N 1 3 305.426 0.910 20 0 DCADHO NCC(C[NH3+])NCc1cc2c(cc1Br)OCCO2 ZINC000923351641 667514000 /nfs/dbraw/zinc/51/40/00/667514000.db2.gz KPUDGJDOZBYBTO-UHFFFAOYSA-N 1 3 316.199 0.596 20 0 DCADHO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923376173 667519902 /nfs/dbraw/zinc/51/99/02/667519902.db2.gz VAHLYYUBGHCHIA-HUUCEWRRSA-N 1 3 311.430 0.407 20 0 DCADHO CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923376173 667519905 /nfs/dbraw/zinc/51/99/05/667519905.db2.gz VAHLYYUBGHCHIA-HUUCEWRRSA-N 1 3 311.430 0.407 20 0 DCADHO COCC[C@H](N)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000884316001 667522677 /nfs/dbraw/zinc/52/26/77/667522677.db2.gz HQZAUEKPTWFAGT-HNNXBMFYSA-N 1 3 306.410 0.778 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000923489739 667546346 /nfs/dbraw/zinc/54/63/46/667546346.db2.gz GSOLFIBJXWPGPF-CQSZACIVSA-N 1 3 304.394 0.683 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCC1(C)C ZINC000868403950 667566565 /nfs/dbraw/zinc/56/65/65/667566565.db2.gz BFPHZWXQUSNNEK-QGZVFWFLSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CCC1(C)C ZINC000868405189 667567114 /nfs/dbraw/zinc/56/71/14/667567114.db2.gz ILQWJLCREPUFGC-INIZCTEOSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[NH2+]1 ZINC000884718049 667598470 /nfs/dbraw/zinc/59/84/70/667598470.db2.gz TXEFUUYQYBAMHQ-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000884776400 667605791 /nfs/dbraw/zinc/60/57/91/667605791.db2.gz RHZBWEZERKAABX-ZOBORPQBSA-N 1 3 308.426 0.068 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[NH2+]1 ZINC000884819773 667610931 /nfs/dbraw/zinc/61/09/31/667610931.db2.gz JCCKGQOWPAZXJR-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCC(=O)O3)CC2)CC1 ZINC000868923617 667613516 /nfs/dbraw/zinc/61/35/16/667613516.db2.gz LVCQWKYHYFQVRN-OAHLLOKOSA-N 1 3 323.437 0.711 20 0 DCADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3CCC(=O)O3)CC2)CC1 ZINC000868923617 667613519 /nfs/dbraw/zinc/61/35/19/667613519.db2.gz LVCQWKYHYFQVRN-OAHLLOKOSA-N 1 3 323.437 0.711 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884878747 667617955 /nfs/dbraw/zinc/61/79/55/667617955.db2.gz HQTHUXLTXMHONA-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CCNC2=O)CC1 ZINC000872146558 667868344 /nfs/dbraw/zinc/86/83/44/667868344.db2.gz QZCBOQLMXCWSIN-HOTGVXAUSA-N 1 3 317.433 0.519 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC2(CCNC2=O)CC1 ZINC000872146558 667868349 /nfs/dbraw/zinc/86/83/49/667868349.db2.gz QZCBOQLMXCWSIN-HOTGVXAUSA-N 1 3 317.433 0.519 20 0 DCADHO CC(C)(O)C[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000872202730 667876199 /nfs/dbraw/zinc/87/61/99/667876199.db2.gz JISYGYPBVJBSAN-KKUMJFAQSA-N 1 3 300.443 0.476 20 0 DCADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000872202867 667877152 /nfs/dbraw/zinc/87/71/52/667877152.db2.gz QRUFFKAWXXIPHW-RBSFLKMASA-N 1 3 300.443 0.741 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000873242388 668067750 /nfs/dbraw/zinc/06/77/50/668067750.db2.gz BAYULGGNXQHNEF-WBMJQRKESA-N 1 3 300.410 0.814 20 0 DCADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873248562 668068968 /nfs/dbraw/zinc/06/89/68/668068968.db2.gz GKJPYLYETBTURI-UONOGXRCSA-N 1 3 302.378 0.708 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292953 668073254 /nfs/dbraw/zinc/07/32/54/668073254.db2.gz WSJKGPFNPGHWJU-OLZOCXBDSA-N 1 3 304.456 0.558 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(CCC[N@H+](C)Cc2ccccc2)C1=O ZINC000924453078 668208000 /nfs/dbraw/zinc/20/80/00/668208000.db2.gz XOQHEYAAXSINFI-HNNXBMFYSA-N 1 3 318.421 0.991 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(CCC[N@@H+](C)Cc2ccccc2)C1=O ZINC000924453078 668208003 /nfs/dbraw/zinc/20/80/03/668208003.db2.gz XOQHEYAAXSINFI-HNNXBMFYSA-N 1 3 318.421 0.991 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(CC[N@H+](C)Cc2ccccc2)C1=O ZINC000924516211 668214631 /nfs/dbraw/zinc/21/46/31/668214631.db2.gz AZOHSHYFAXCPRO-AWEZNQCLSA-N 1 3 304.394 0.600 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2)C1=O ZINC000924516211 668214633 /nfs/dbraw/zinc/21/46/33/668214633.db2.gz AZOHSHYFAXCPRO-AWEZNQCLSA-N 1 3 304.394 0.600 20 0 DCADHO CSC1(CN2C(=O)N[C@@H](CN(C)C)C2=O)CC[NH+](C)CC1 ZINC000924892384 668248178 /nfs/dbraw/zinc/24/81/78/668248178.db2.gz IFVIJAIXQCHAPO-NSHDSACASA-N 1 3 314.455 0.296 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875131225 668264180 /nfs/dbraw/zinc/26/41/80/668264180.db2.gz AKQRKCGYBUWWLQ-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000925292166 668290580 /nfs/dbraw/zinc/29/05/80/668290580.db2.gz IVRPAHAXOZXKIA-ZIAGYGMSSA-N 1 3 308.426 0.877 20 0 DCADHO CC[N@H+]1CCC[C@@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000925292166 668290584 /nfs/dbraw/zinc/29/05/84/668290584.db2.gz IVRPAHAXOZXKIA-ZIAGYGMSSA-N 1 3 308.426 0.877 20 0 DCADHO C[C@@H]1NCCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000925535076 668327223 /nfs/dbraw/zinc/32/72/23/668327223.db2.gz BMVQNHJTGDTZMV-HOTGVXAUSA-N 1 3 318.469 0.719 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000925535076 668327227 /nfs/dbraw/zinc/32/72/27/668327227.db2.gz BMVQNHJTGDTZMV-HOTGVXAUSA-N 1 3 318.469 0.719 20 0 DCADHO CC1(C)C[C@@H]([NH3+])C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000925606516 668335394 /nfs/dbraw/zinc/33/53/94/668335394.db2.gz KJYSYPQISDGWBD-RWMBFGLXSA-N 1 3 303.472 0.906 20 0 DCADHO CC1(C)[C@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)[C@@H]2CCCN[C@@H]21 ZINC000925788763 668348776 /nfs/dbraw/zinc/34/87/76/668348776.db2.gz LHTRMLSBMAPHJC-YIYPIFLZSA-N 1 3 315.483 0.129 20 0 DCADHO CCO[C@H](CNC(=O)Nc1cnc2c(c1)CNCC2)C[NH+](C)C ZINC000926159153 668380687 /nfs/dbraw/zinc/38/06/87/668380687.db2.gz ADIJGKQNQNKVOH-CQSZACIVSA-N 1 3 321.425 0.816 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926199124 668384942 /nfs/dbraw/zinc/38/49/42/668384942.db2.gz YKWFLCDCSDQCPH-LBKYZSNHSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926199124 668384944 /nfs/dbraw/zinc/38/49/44/668384944.db2.gz YKWFLCDCSDQCPH-LBKYZSNHSA-N 1 3 311.470 0.923 20 0 DCADHO C[NH+](C)C1(C)CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000876108679 668414186 /nfs/dbraw/zinc/41/41/86/668414186.db2.gz XFBDTBVQOWKGJI-KRIMKBQASA-N 1 3 324.469 0.710 20 0 DCADHO CCO[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C[NH+](C)C ZINC000926835656 668433738 /nfs/dbraw/zinc/43/37/38/668433738.db2.gz CTZDHCHJDXKGME-HUUCEWRRSA-N 1 3 310.442 0.609 20 0 DCADHO C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927635520 668488978 /nfs/dbraw/zinc/48/89/78/668488978.db2.gz HAPBLLUWMNWOFD-AWEZNQCLSA-N 1 3 312.458 0.879 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876780392 668509946 /nfs/dbraw/zinc/50/99/46/668509946.db2.gz GODXEKWTLOKIMO-KBPBESRZSA-N 1 3 300.422 0.078 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859102 668522140 /nfs/dbraw/zinc/52/21/40/668522140.db2.gz BTHIXGRTRJYCRC-STQMWFEESA-N 1 3 305.426 0.731 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000876863345 668523059 /nfs/dbraw/zinc/52/30/59/668523059.db2.gz BGCNQWHLIVZMJN-STQMWFEESA-N 1 3 313.348 0.678 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000876973097 668545484 /nfs/dbraw/zinc/54/54/84/668545484.db2.gz ASKPQBKNDZGCRI-OJPVIKLQSA-N 1 3 307.438 0.768 20 0 DCADHO O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccc2c(c1)OCCNC2 ZINC000877053753 668557823 /nfs/dbraw/zinc/55/78/23/668557823.db2.gz AQNRHNNIPJJGQK-AWEZNQCLSA-N 1 3 305.378 0.876 20 0 DCADHO COCCN(CC1CC[NH+](C)CC1)C(=O)C[C@H]1CNCCO1 ZINC000877133170 668565319 /nfs/dbraw/zinc/56/53/19/668565319.db2.gz XRNZGJCYSSBHIV-HNNXBMFYSA-N 1 3 313.442 0.182 20 0 DCADHO Cn1ncc(CN)c1C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877159868 668569656 /nfs/dbraw/zinc/56/96/56/668569656.db2.gz NZJPDYZBGDVALA-CQSZACIVSA-N 1 3 301.394 0.569 20 0 DCADHO CN1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCC1(C)C ZINC000877206010 668576213 /nfs/dbraw/zinc/57/62/13/668576213.db2.gz ALGPQUHNVKIDTF-CYBMUJFWSA-N 1 3 320.441 0.759 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)CC[NH2+]C3CC3)c2)nn1 ZINC000877206514 668576264 /nfs/dbraw/zinc/57/62/64/668576264.db2.gz JJLXYHSLVPWLRY-UHFFFAOYSA-N 1 3 314.393 0.484 20 0 DCADHO CC[C@@]1(C(=O)N2CCC(N3CCN(C)CC3)CC2)CCC[NH2+]1 ZINC000877252052 668584587 /nfs/dbraw/zinc/58/45/87/668584587.db2.gz YTUKWHZRITYUOO-KRWDZBQOSA-N 1 3 308.470 0.757 20 0 DCADHO CSCC[C@@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331933 668603497 /nfs/dbraw/zinc/60/34/97/668603497.db2.gz SVGJKMCADMSMSC-VXGBXAGGSA-N 1 3 301.456 0.342 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877340967 668604983 /nfs/dbraw/zinc/60/49/83/668604983.db2.gz RZQRSRPUBZBXNO-UXLLHSPISA-N 1 3 301.390 0.053 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000877341701 668605151 /nfs/dbraw/zinc/60/51/51/668605151.db2.gz ZAWCSKABJFNQJY-ZOBUZTSGSA-N 1 3 303.406 0.584 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000877370823 668610167 /nfs/dbraw/zinc/61/01/67/668610167.db2.gz GLZCQTCUIIFWRU-OUAUKWLOSA-N 1 3 309.332 0.351 20 0 DCADHO CCN(CCO)CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000768789413 668621631 /nfs/dbraw/zinc/62/16/31/668621631.db2.gz SNAOTOGWPYKFGQ-UHFFFAOYSA-N 1 3 304.504 0.353 20 0 DCADHO O[C@H](CN[C@H]1CCCC[C@H]1N1CCOCC1)C[NH+]1CCCC1 ZINC000769802242 668662423 /nfs/dbraw/zinc/66/24/23/668662423.db2.gz UAMXFXBKWKCZDT-IXDOHACOSA-N 1 3 311.470 0.676 20 0 DCADHO CNC(=O)c1ccc(CN2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931482195 669210346 /nfs/dbraw/zinc/21/03/46/669210346.db2.gz RLCQXAQFERUDDL-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000931567258 669223665 /nfs/dbraw/zinc/22/36/65/669223665.db2.gz POUGVIHBEBCOMN-ZDUSSCGKSA-N 1 3 308.430 0.908 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000931567258 669223669 /nfs/dbraw/zinc/22/36/69/669223669.db2.gz POUGVIHBEBCOMN-ZDUSSCGKSA-N 1 3 308.430 0.908 20 0 DCADHO CON(C)C(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000799149667 670044385 /nfs/dbraw/zinc/04/43/85/670044385.db2.gz YMHWEDUZEYZREW-HUUCEWRRSA-N 1 3 312.458 0.354 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCO)C2)CCC1 ZINC001036735908 670166744 /nfs/dbraw/zinc/16/67/44/670166744.db2.gz RPLCHTVZRGSASH-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCO)C2)CCC1 ZINC001036735908 670166747 /nfs/dbraw/zinc/16/67/47/670166747.db2.gz RPLCHTVZRGSASH-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(C(=O)CN3CCCC3)CC[C@@H]21 ZINC001036896408 670265615 /nfs/dbraw/zinc/26/56/15/670265615.db2.gz OGYQCDUBTHGDBV-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN3CCCC3)CC[C@@H]21 ZINC001036896408 670265618 /nfs/dbraw/zinc/26/56/18/670265618.db2.gz OGYQCDUBTHGDBV-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CCC1 ZINC000807042315 670343253 /nfs/dbraw/zinc/34/32/53/670343253.db2.gz DKEHYOYNZPKGSR-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952151478 670448870 /nfs/dbraw/zinc/44/88/70/670448870.db2.gz LSQORWDQXFYRLV-CHWSQXEVSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952151478 670448872 /nfs/dbraw/zinc/44/88/72/670448872.db2.gz LSQORWDQXFYRLV-CHWSQXEVSA-N 1 3 319.409 0.011 20 0 DCADHO CON1CCN(CCC(C)CC[NH+]2CCN(OC)CC2)CC1 ZINC000846977508 670506004 /nfs/dbraw/zinc/50/60/04/670506004.db2.gz VOMAJZBCVPFWGH-UHFFFAOYSA-N 1 3 314.474 0.761 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NOC1CCOCC1 ZINC000854002185 670514610 /nfs/dbraw/zinc/51/46/10/670514610.db2.gz SWQLJQRUEVFOTK-ZDUSSCGKSA-N 1 3 316.446 0.668 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NOC1CCOCC1 ZINC000854002185 670514617 /nfs/dbraw/zinc/51/46/17/670514617.db2.gz SWQLJQRUEVFOTK-ZDUSSCGKSA-N 1 3 316.446 0.668 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000847294058 670532138 /nfs/dbraw/zinc/53/21/38/670532138.db2.gz JPCCKINPCVKXRB-QLFBSQMISA-N 1 3 310.442 0.321 20 0 DCADHO CCCN1C[C@@H](CNC(=[NH2+])NC[C@@H]2CCCN2CC)CC1=O ZINC000849044168 670754212 /nfs/dbraw/zinc/75/42/12/670754212.db2.gz XHWHPOVOECQBHF-KGLIPLIRSA-N 1 3 309.458 0.843 20 0 DCADHO CC(C)(C)c1nc(CNC(=[NH2+])NCCCN2CCOCC2)n[nH]1 ZINC000849116344 670757936 /nfs/dbraw/zinc/75/79/36/670757936.db2.gz MRFJHYAJQQUFNX-UHFFFAOYSA-N 1 3 323.445 0.438 20 0 DCADHO O=C(N[C@H]1CCCN(CCCO)C1)C1CC[NH+](C2CC2)CC1 ZINC000857517985 670927004 /nfs/dbraw/zinc/92/70/04/670927004.db2.gz BQNJZDDRGVDPGE-HNNXBMFYSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)N1CCCCC1 ZINC000817912374 670952174 /nfs/dbraw/zinc/95/21/74/670952174.db2.gz PIZBMCYYNSRCSR-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000817988384 670959457 /nfs/dbraw/zinc/95/94/57/670959457.db2.gz JICUJAFAVZGGAZ-PBHICJAKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1[nH]nc2c1CNCC2 ZINC000852861858 671177779 /nfs/dbraw/zinc/17/77/79/671177779.db2.gz LIWCMCNWVIGNOL-GFCCVEGCSA-N 1 3 305.426 0.906 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000841051295 671910806 /nfs/dbraw/zinc/91/08/06/671910806.db2.gz OXLQOFQDJRPPNL-ZDUSSCGKSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841791090 671956317 /nfs/dbraw/zinc/95/63/17/671956317.db2.gz NBZQVOJZOGLGPP-XGUBFFRZSA-N 1 3 310.442 0.761 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCCCC1 ZINC000842015261 671974207 /nfs/dbraw/zinc/97/42/07/671974207.db2.gz JMRKZRWJMKXDKY-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO COCCS(=O)(=O)CCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000842476203 672013777 /nfs/dbraw/zinc/01/37/77/672013777.db2.gz JBIOXNABJJTYNO-AWEZNQCLSA-N 1 3 306.472 0.935 20 0 DCADHO CCOC(=O)C1=C(CN(C)C2CCC([NH3+])CC2)NC(=O)N[C@@H]1C ZINC000843355574 672086465 /nfs/dbraw/zinc/08/64/65/672086465.db2.gz WCWWKCTZCDIHNR-VOMCLLRMSA-N 1 3 324.425 0.707 20 0 DCADHO CCCS(=O)(=O)N1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396603979 685270454 /nfs/dbraw/zinc/27/04/54/685270454.db2.gz YJFONACJEKVTMG-GXTWGEPZSA-N 1 3 303.472 0.921 20 0 DCADHO COCCCN(C(=S)NCC[NH+](C)C)C1CCN(C)CC1 ZINC000811716396 685350162 /nfs/dbraw/zinc/35/01/62/685350162.db2.gz PPHDTSIGSWHPIO-UHFFFAOYSA-N 1 3 316.515 0.855 20 0 DCADHO CCN1CCN(CCCC[NH2+]C2CC(S(C)(=O)=O)C2)CC1 ZINC000892563698 685427376 /nfs/dbraw/zinc/42/73/76/685427376.db2.gz UGSNIXYDTKQPPQ-UHFFFAOYSA-N 1 3 317.499 0.569 20 0 DCADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N1CCCCC1 ZINC000959889785 688250988 /nfs/dbraw/zinc/25/09/88/688250988.db2.gz FAWMJZOBXXGUAZ-FICVDOATSA-N 1 3 309.454 0.680 20 0 DCADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1CCCCC1 ZINC000959889785 688250994 /nfs/dbraw/zinc/25/09/94/688250994.db2.gz FAWMJZOBXXGUAZ-FICVDOATSA-N 1 3 309.454 0.680 20 0 DCADHO Cn1cncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960574184 688413921 /nfs/dbraw/zinc/41/39/21/688413921.db2.gz ASAJLHQPTWGCRR-QXSJWSMHSA-N 1 3 317.437 0.451 20 0 DCADHO Cn1cncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960574184 688413924 /nfs/dbraw/zinc/41/39/24/688413924.db2.gz ASAJLHQPTWGCRR-QXSJWSMHSA-N 1 3 317.437 0.451 20 0 DCADHO Cc1cccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962554650 688940340 /nfs/dbraw/zinc/94/03/40/688940340.db2.gz NSAFQAXRTGCTDP-AIANPOQGSA-N 1 3 314.433 0.888 20 0 DCADHO Cc1cccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962554650 688940344 /nfs/dbraw/zinc/94/03/44/688940344.db2.gz NSAFQAXRTGCTDP-AIANPOQGSA-N 1 3 314.433 0.888 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC000962707602 688969658 /nfs/dbraw/zinc/96/96/58/688969658.db2.gz HDFHOFRJSBANHT-ROKHWSDSSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC000962707602 688969660 /nfs/dbraw/zinc/96/96/60/688969660.db2.gz HDFHOFRJSBANHT-ROKHWSDSSA-N 1 3 306.410 0.919 20 0 DCADHO NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000968676270 690363979 /nfs/dbraw/zinc/36/39/79/690363979.db2.gz IAMJWOPNMFNBBJ-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968676270 690363983 /nfs/dbraw/zinc/36/39/83/690363983.db2.gz IAMJWOPNMFNBBJ-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)C1CC1 ZINC000968912768 690422973 /nfs/dbraw/zinc/42/29/73/690422973.db2.gz RJPSENCOTXEMDW-ZBFHGGJFSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC000968988839 690444653 /nfs/dbraw/zinc/44/46/53/690444653.db2.gz BHJBQRYEKIGUQQ-ZBFHGGJFSA-N 1 3 321.469 0.739 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC000969077267 690464449 /nfs/dbraw/zinc/46/44/49/690464449.db2.gz NQRJVQOMEWWPTD-MGPQQGTHSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)C1 ZINC000981808461 690518855 /nfs/dbraw/zinc/51/88/55/690518855.db2.gz NSGUHHUTPVFADK-MRXNPFEDSA-N 1 3 323.481 0.881 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)C1 ZINC000981808461 690518858 /nfs/dbraw/zinc/51/88/58/690518858.db2.gz NSGUHHUTPVFADK-MRXNPFEDSA-N 1 3 323.481 0.881 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015323895 692264344 /nfs/dbraw/zinc/26/43/44/692264344.db2.gz LWZIVBUZCUIPDD-DGNOSDGRSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015323895 692264347 /nfs/dbraw/zinc/26/43/47/692264347.db2.gz LWZIVBUZCUIPDD-DGNOSDGRSA-N 1 3 307.438 0.696 20 0 DCADHO NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001018850957 693262436 /nfs/dbraw/zinc/26/24/36/693262436.db2.gz IAMJWOPNMFNBBJ-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018850957 693262439 /nfs/dbraw/zinc/26/24/39/693262439.db2.gz IAMJWOPNMFNBBJ-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001018999443 693315669 /nfs/dbraw/zinc/31/56/69/693315669.db2.gz SBBZEBOEEWQIKF-HOCLYGCPSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001019382803 693456402 /nfs/dbraw/zinc/45/64/02/693456402.db2.gz LGHSFKHSMNNKKQ-BBRMVZONSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001019382803 693456408 /nfs/dbraw/zinc/45/64/08/693456408.db2.gz LGHSFKHSMNNKKQ-BBRMVZONSA-N 1 3 319.453 0.761 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001019394641 693461338 /nfs/dbraw/zinc/46/13/38/693461338.db2.gz LJBOXVVTSNKGAH-IHRRRGAJSA-N 1 3 320.441 0.296 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019652091 693554563 /nfs/dbraw/zinc/55/45/63/693554563.db2.gz HNRPHKHWDLQSPH-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019652091 693554568 /nfs/dbraw/zinc/55/45/68/693554568.db2.gz HNRPHKHWDLQSPH-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001020178787 693723775 /nfs/dbraw/zinc/72/37/75/693723775.db2.gz FEKKFYLNWPLYPM-KLHDSHLOSA-N 1 3 307.438 0.887 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020214008 693734090 /nfs/dbraw/zinc/73/40/90/693734090.db2.gz DMNVYRAQJHNFPL-UMVBOHGHSA-N 1 3 320.441 0.426 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020214008 693734094 /nfs/dbraw/zinc/73/40/94/693734094.db2.gz DMNVYRAQJHNFPL-UMVBOHGHSA-N 1 3 320.441 0.426 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072676639 694651039 /nfs/dbraw/zinc/65/10/39/694651039.db2.gz DUTAENBHQJAEAA-SMDDNHRTSA-N 1 3 321.425 0.175 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001072800953 694666883 /nfs/dbraw/zinc/66/68/83/694666883.db2.gz ILRKEPBJYLZHNW-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001072800953 694666884 /nfs/dbraw/zinc/66/68/84/694666884.db2.gz ILRKEPBJYLZHNW-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073599955 694749663 /nfs/dbraw/zinc/74/96/63/694749663.db2.gz SPLYKTQCCHRORM-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073599955 694749665 /nfs/dbraw/zinc/74/96/65/694749665.db2.gz SPLYKTQCCHRORM-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1NC(=O)CC[NH+](C)C ZINC001074198114 694838395 /nfs/dbraw/zinc/83/83/95/694838395.db2.gz KCOISXYXDWQBEV-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccnn3C)[C@@H]2C)CC[N@@H+]1C ZINC001074661954 694915762 /nfs/dbraw/zinc/91/57/62/694915762.db2.gz UNGIXLAPVHXSIZ-CLWVCHIJSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3ccnn3C)[C@@H]2C)CC[N@H+]1C ZINC001074661954 694915763 /nfs/dbraw/zinc/91/57/63/694915763.db2.gz UNGIXLAPVHXSIZ-CLWVCHIJSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001076597051 695031665 /nfs/dbraw/zinc/03/16/65/695031665.db2.gz XSCRCMZTTWDVKI-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001076597051 695031666 /nfs/dbraw/zinc/03/16/66/695031666.db2.gz XSCRCMZTTWDVKI-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713233 695040012 /nfs/dbraw/zinc/04/00/12/695040012.db2.gz QMVWOOAJYJKAAX-ZIAGYGMSSA-N 1 3 318.377 0.458 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713233 695040013 /nfs/dbraw/zinc/04/00/13/695040013.db2.gz QMVWOOAJYJKAAX-ZIAGYGMSSA-N 1 3 318.377 0.458 20 0 DCADHO CN(CC(=O)N1CCC(O)(C[NH2+]CCF)CC1)C1CCC1 ZINC001570414796 1162508128 /nfs/dbraw/zinc/50/81/28/1162508128.db2.gz GYOSOBUSZZVMTC-UHFFFAOYSA-N 1 3 301.406 0.383 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001649455165 1157429989 /nfs/dbraw/zinc/42/99/89/1157429989.db2.gz BRKMEVCDVXPLIF-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO Cn1nccc1CCN1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001571693786 1162907777 /nfs/dbraw/zinc/90/77/77/1162907777.db2.gz LMQPEIJXCLIHGS-UHFFFAOYSA-N 1 3 319.453 0.663 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCC(=O)N(C)C ZINC001483098149 1158373776 /nfs/dbraw/zinc/37/37/76/1158373776.db2.gz ONWFYJWTSKMITB-PSKZRQQASA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCC(=O)N(C)C ZINC001483098149 1158373802 /nfs/dbraw/zinc/37/38/02/1158373802.db2.gz ONWFYJWTSKMITB-PSKZRQQASA-N 1 3 310.442 0.211 20 0 DCADHO CNS(=O)(=O)[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923315554 1158739201 /nfs/dbraw/zinc/73/92/01/1158739201.db2.gz IEHWPBLZVADOFT-JALIKCBVSA-N 1 3 315.483 0.921 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001390200563 1159212833 /nfs/dbraw/zinc/21/28/33/1159212833.db2.gz FJZXDZWWZGFHKE-RHSMWYFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390200563 1159212840 /nfs/dbraw/zinc/21/28/40/1159212840.db2.gz FJZXDZWWZGFHKE-RHSMWYFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cnnn1C ZINC001444867727 1159297946 /nfs/dbraw/zinc/29/79/46/1159297946.db2.gz FLORUXVJEHEATK-BPLDGKMQSA-N 1 3 322.457 0.386 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cnnn1C ZINC001444867727 1159297949 /nfs/dbraw/zinc/29/79/49/1159297949.db2.gz FLORUXVJEHEATK-BPLDGKMQSA-N 1 3 322.457 0.386 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001540430671 1159799295 /nfs/dbraw/zinc/79/92/95/1159799295.db2.gz ULTADXAZLIOUPH-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001569229764 1160986995 /nfs/dbraw/zinc/98/69/95/1160986995.db2.gz HCTKPQKWVHJWJB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001569230043 1160987398 /nfs/dbraw/zinc/98/73/98/1160987398.db2.gz QKPYFQAJAKPPIE-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O ZINC001569557384 1161148246 /nfs/dbraw/zinc/14/82/46/1161148246.db2.gz WQMKHNTYAPBKQA-CQSZACIVSA-N 1 3 319.409 0.155 20 0 DCADHO CC(C)N1CC[C@@H](N(C)S(=O)(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC001573525330 1163457396 /nfs/dbraw/zinc/45/73/96/1163457396.db2.gz VPVJUJFSJPGWPL-ZIAGYGMSSA-N 1 3 303.472 0.873 20 0 DCADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H](N)CCC(N)=O)CC1 ZINC001573711050 1163539618 /nfs/dbraw/zinc/53/96/18/1163539618.db2.gz DVVAMSRHVVYQLS-CQSZACIVSA-N 1 3 324.469 0.836 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001575331810 1163977419 /nfs/dbraw/zinc/97/74/19/1163977419.db2.gz OGXSQUJVILIYGO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCc1c[nH]nn1)[NH+]1CCCCC1 ZINC001575566925 1164062462 /nfs/dbraw/zinc/06/24/62/1164062462.db2.gz PHDAGPOKBZJURN-HIFRSBDPSA-N 1 3 322.457 0.910 20 0 DCADHO CC(C)O[C@@]1(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCOC1 ZINC001575749492 1164133444 /nfs/dbraw/zinc/13/34/44/1164133444.db2.gz GNCYRFJCJCLKDX-GOEBONIOSA-N 1 3 313.442 0.357 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC001576016880 1164211880 /nfs/dbraw/zinc/21/18/80/1164211880.db2.gz GNLMGFGXQYRYRD-HUUCEWRRSA-N 1 3 311.474 0.250 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001576069451 1164228874 /nfs/dbraw/zinc/22/88/74/1164228874.db2.gz ATNBFHYPZSJUSH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001576574539 1164400682 /nfs/dbraw/zinc/40/06/82/1164400682.db2.gz UIMDBFLVJOIDHX-BNOWGMLFSA-N 1 3 308.426 0.095 20 0 DCADHO C[C@@H]1CN(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC001576807095 1164469908 /nfs/dbraw/zinc/46/99/08/1164469908.db2.gz NBHBLJGUNWLDKZ-ZIAGYGMSSA-N 1 3 308.430 0.013 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2CCc2cn[nH]n2)CC1 ZINC001576878344 1164513286 /nfs/dbraw/zinc/51/32/86/1164513286.db2.gz ZWUDRWUYSSJGFS-OAHLLOKOSA-N 1 3 320.441 0.270 20 0 DCADHO CCC(CC)Nc1ccncc1NC(=O)c1cn(CC[NH3+])nn1 ZINC001577077018 1164596443 /nfs/dbraw/zinc/59/64/43/1164596443.db2.gz DIKOEQBYRRYWQJ-UHFFFAOYSA-N 1 3 317.397 0.907 20 0 DCADHO CCN(C)Cc1cc(O[C@H]2CCN(C[C@](C)(O)C[NH3+])C2)ccn1 ZINC001577654943 1164755157 /nfs/dbraw/zinc/75/51/57/1164755157.db2.gz LQSMNQHSGHGDSK-DLBZAZTESA-N 1 3 322.453 0.696 20 0 DCADHO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]CC(CC)(CC)CN)C1 ZINC001577967909 1164868134 /nfs/dbraw/zinc/86/81/34/1164868134.db2.gz ZIMJHPFYHBBUHQ-QWHCGFSZSA-N 1 3 301.431 0.790 20 0 DCADHO C[NH+](C)C[C@]1(O)CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC001578412197 1165004228 /nfs/dbraw/zinc/00/42/28/1165004228.db2.gz IAHYGCGATYDLDF-NVXWUHKLSA-N 1 3 303.406 0.746 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(C[C@@H]2CC(F)(F)CN2)CC1 ZINC001578418422 1165007644 /nfs/dbraw/zinc/00/76/44/1165007644.db2.gz MBCAHXKIXUMHLS-ZDUSSCGKSA-N 1 3 318.412 0.373 20 0 DCADHO CN(CCN1CC[NH2+]CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC001578471983 1165027056 /nfs/dbraw/zinc/02/70/56/1165027056.db2.gz XJIJCVCSQCDJCM-ZIAGYGMSSA-N 1 3 301.406 0.457 20 0 DCADHO CN(CCNC(=O)CC1(O)CC[NH2+]CC1)Cc1ccccc1 ZINC001578472805 1165028881 /nfs/dbraw/zinc/02/88/81/1165028881.db2.gz HALQEVZRUUZGHV-UHFFFAOYSA-N 1 3 305.422 0.739 20 0 DCADHO CN1CCN(c2ccnc(NC(=O)[C@H](F)C3C[NH2+]C3)c2)CC1 ZINC001578536974 1165050431 /nfs/dbraw/zinc/05/04/31/1165050431.db2.gz LBZSWUZGQZIJAU-CQSZACIVSA-N 1 3 307.373 0.329 20 0 DCADHO C[NH2+]C[C@H]1CCCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC001578657506 1165082661 /nfs/dbraw/zinc/08/26/61/1165082661.db2.gz XFCHAEDNLLSQSO-CABCVRRESA-N 1 3 315.483 0.734 20 0 DCADHO COC(=O)N1CCC([NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CC1 ZINC001578825657 1165132192 /nfs/dbraw/zinc/13/21/92/1165132192.db2.gz VIDCMNDDEVJTEJ-CYBMUJFWSA-N 1 3 323.441 0.666 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001579500043 1165333822 /nfs/dbraw/zinc/33/38/22/1165333822.db2.gz PYUNKTBGGVRPGA-RZFFKMDDSA-N 1 3 305.426 0.322 20 0 DCADHO NC(=O)[C@H](F)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001580085241 1165496831 /nfs/dbraw/zinc/49/68/31/1165496831.db2.gz XCGBVESODRWFKM-UONOGXRCSA-N 1 3 313.417 0.681 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@@H]1CN(C3CC3)C(=O)O1)CC2 ZINC001580257118 1165549849 /nfs/dbraw/zinc/54/98/49/1165549849.db2.gz AHXLYHIMNRUFRG-ZIAGYGMSSA-N 1 3 309.410 0.799 20 0 DCADHO COC[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC001609317179 1170932551 /nfs/dbraw/zinc/93/25/51/1170932551.db2.gz CFBYNSUPSGXYAC-CYBMUJFWSA-N 1 3 320.397 0.589 20 0 DCADHO COc1ccc(COC[C@@H](O)CNC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001646520810 1172413272 /nfs/dbraw/zinc/41/32/72/1172413272.db2.gz VVMKURGOXFZWAV-DOTOQJQBSA-N 1 3 324.421 0.229 20 0 DCADHO COc1ccc(COC[C@@H](O)CNC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001646520810 1172413273 /nfs/dbraw/zinc/41/32/73/1172413273.db2.gz VVMKURGOXFZWAV-DOTOQJQBSA-N 1 3 324.421 0.229 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1[NH2+]CC12CCOCC2 ZINC001646720723 1172490628 /nfs/dbraw/zinc/49/06/28/1172490628.db2.gz HOLKEIJZWVAHIL-HOTGVXAUSA-N 1 3 315.417 0.758 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001646772809 1172523308 /nfs/dbraw/zinc/52/33/08/1172523308.db2.gz CQFFBNGOMXKCIQ-LBPRGKRZSA-N 1 3 309.435 0.580 20 0 DCADHO NC1(C(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC2(CCC2)C1 ZINC001646800000 1172539406 /nfs/dbraw/zinc/53/94/06/1172539406.db2.gz TWKCYQMVKAGTFV-GFCCVEGCSA-N 1 3 321.421 0.450 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC2(CCC[C@H]2C[NH3+])CC1 ZINC001646836988 1172558097 /nfs/dbraw/zinc/55/80/97/1172558097.db2.gz HYRUIVNPLMEYAW-ZDUSSCGKSA-N 1 3 305.426 0.860 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001647583831 1172983502 /nfs/dbraw/zinc/98/35/02/1172983502.db2.gz YLJVAOKVKZTYBP-ZFWWWQNUSA-N 1 3 324.469 0.879 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCN(CC2CCOCC2)CC1 ZINC001647585791 1172983642 /nfs/dbraw/zinc/98/36/42/1172983642.db2.gz UUZCCYJBYITZJR-OWCLPIDISA-N 1 3 322.453 0.633 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001650348124 1173584631 /nfs/dbraw/zinc/58/46/31/1173584631.db2.gz KOOJYZQAZFTMBX-ZFRYHDOHSA-N 1 3 317.433 0.723 20 0 DCADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001650434573 1173640388 /nfs/dbraw/zinc/64/03/88/1173640388.db2.gz LQGUGUJMJCEEBN-AIANPOQGSA-N 1 3 309.454 0.952 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(C)nn(CCO)c2C)CC1 ZINC000067188305 1173770929 /nfs/dbraw/zinc/77/09/29/1173770929.db2.gz CIVSWFTYGAIIKR-CQSZACIVSA-N 1 3 323.485 0.608 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCOCC2CC2)C1 ZINC001662690093 1174232266 /nfs/dbraw/zinc/23/22/66/1174232266.db2.gz CLROVFJGUYNQLY-CQSZACIVSA-N 1 3 306.410 0.817 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001664391960 1174429893 /nfs/dbraw/zinc/42/98/93/1174429893.db2.gz VENDJFOYHJJUSG-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO COCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001666403584 1174602726 /nfs/dbraw/zinc/60/27/26/1174602726.db2.gz NKSVSUNDNWKKBD-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO COc1cc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001668310688 1174781120 /nfs/dbraw/zinc/78/11/20/1174781120.db2.gz XYVKRCUVBDUNIM-NWDGAFQWSA-N 1 3 310.398 0.619 20 0 DCADHO COc1cc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001668310688 1174781123 /nfs/dbraw/zinc/78/11/23/1174781123.db2.gz XYVKRCUVBDUNIM-NWDGAFQWSA-N 1 3 310.398 0.619 20 0 DCADHO C[C@@H](CCNCC(=O)Nc1ccon1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668309364 1174781753 /nfs/dbraw/zinc/78/17/53/1174781753.db2.gz HYDFSKWTLLXGGR-NWDGAFQWSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@@H](CCNCC(=O)Nc1ccon1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668309364 1174781758 /nfs/dbraw/zinc/78/17/58/1174781758.db2.gz HYDFSKWTLLXGGR-NWDGAFQWSA-N 1 3 323.397 0.049 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001669001065 1174874839 /nfs/dbraw/zinc/87/48/39/1174874839.db2.gz KEZQXOLQYYEGMF-GXMNPTEKSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001669002536 1174874862 /nfs/dbraw/zinc/87/48/62/1174874862.db2.gz ZCFHQMYILRIMDO-PINBIDLJSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001669002536 1174874867 /nfs/dbraw/zinc/87/48/67/1174874867.db2.gz ZCFHQMYILRIMDO-PINBIDLJSA-N 1 3 322.453 0.209 20 0 DCADHO COCCOCCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001671692888 1175031554 /nfs/dbraw/zinc/03/15/54/1175031554.db2.gz FYNXQNHXPGAFPZ-GOEBONIOSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001671692888 1175031561 /nfs/dbraw/zinc/03/15/61/1175031561.db2.gz FYNXQNHXPGAFPZ-GOEBONIOSA-N 1 3 313.442 0.182 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001675818538 1175394093 /nfs/dbraw/zinc/39/40/93/1175394093.db2.gz IQYKPNSRKMRUKQ-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001689339689 1176834817 /nfs/dbraw/zinc/83/48/17/1176834817.db2.gz UZPPYKFDBRVROF-HYLRALAJSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001689339689 1176834828 /nfs/dbraw/zinc/83/48/28/1176834828.db2.gz UZPPYKFDBRVROF-HYLRALAJSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001689829684 1177083937 /nfs/dbraw/zinc/08/39/37/1177083937.db2.gz VUZNBRJOBBJVMO-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001689829684 1177083940 /nfs/dbraw/zinc/08/39/40/1177083940.db2.gz VUZNBRJOBBJVMO-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001698844352 1177690699 /nfs/dbraw/zinc/69/06/99/1177690699.db2.gz ZEFAUXJJWFVILB-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699200989 1177935428 /nfs/dbraw/zinc/93/54/28/1177935428.db2.gz LVGYEJWMIGWQCA-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699200989 1177935443 /nfs/dbraw/zinc/93/54/43/1177935443.db2.gz LVGYEJWMIGWQCA-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001699548360 1178194760 /nfs/dbraw/zinc/19/47/60/1178194760.db2.gz RMZAVWJNXDHOLJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCCF)CCOCC1)N(C)C ZINC001699885934 1178331946 /nfs/dbraw/zinc/33/19/46/1178331946.db2.gz YSGFJCFIFHIRKM-CYBMUJFWSA-N 1 3 303.422 0.941 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N(CCO)CCNCCF)C1 ZINC001700041546 1178455529 /nfs/dbraw/zinc/45/55/29/1178455529.db2.gz CLHRGZPKKWKRIG-KGLIPLIRSA-N 1 3 303.422 0.487 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001720132716 1179076446 /nfs/dbraw/zinc/07/64/46/1179076446.db2.gz WSRAYEJJWBFQJY-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001720132716 1179076455 /nfs/dbraw/zinc/07/64/55/1179076455.db2.gz WSRAYEJJWBFQJY-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CCNC1=O ZINC001707460304 1180521808 /nfs/dbraw/zinc/52/18/08/1180521808.db2.gz AGLSGIRSOJNUDJ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1CCNC1=O ZINC001707460304 1180521813 /nfs/dbraw/zinc/52/18/13/1180521813.db2.gz AGLSGIRSOJNUDJ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001713027760 1180636372 /nfs/dbraw/zinc/63/63/72/1180636372.db2.gz GXDNYLLJBVDWSM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001713027760 1180636375 /nfs/dbraw/zinc/63/63/75/1180636375.db2.gz GXDNYLLJBVDWSM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CC)C1=O ZINC001713029784 1180638915 /nfs/dbraw/zinc/63/89/15/1180638915.db2.gz JIDCECIVBOPWQZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CC)C1=O ZINC001713029784 1180638921 /nfs/dbraw/zinc/63/89/21/1180638921.db2.gz JIDCECIVBOPWQZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC(N)=O)C(C)C)CC[N@@H+]1C ZINC001713689013 1181017108 /nfs/dbraw/zinc/01/71/08/1181017108.db2.gz PUYSDPPRJQCZNU-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC(N)=O)C(C)C)CC[N@H+]1C ZINC001713689013 1181017110 /nfs/dbraw/zinc/01/71/10/1181017110.db2.gz PUYSDPPRJQCZNU-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCOCC(F)(F)F)C1 ZINC001714334381 1181324635 /nfs/dbraw/zinc/32/46/35/1181324635.db2.gz PIKVUUROCHCRGL-LBPRGKRZSA-N 1 3 323.359 0.852 20 0 DCADHO Cn1cc(CC[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001714342126 1181327954 /nfs/dbraw/zinc/32/79/54/1181327954.db2.gz CKAVKVQRJKIGCA-CVEARBPZSA-N 1 3 319.453 0.495 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001714543725 1181410903 /nfs/dbraw/zinc/41/09/03/1181410903.db2.gz VTUNRTLHYFFSPO-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)C(C)C ZINC001714543725 1181410906 /nfs/dbraw/zinc/41/09/06/1181410906.db2.gz VTUNRTLHYFFSPO-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001714747591 1181522934 /nfs/dbraw/zinc/52/29/34/1181522934.db2.gz FJLHGSYFROLXHR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001715775192 1181989857 /nfs/dbraw/zinc/98/98/57/1181989857.db2.gz JYZMQAGCHGUMGV-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCc2cnn(C)c2)C1 ZINC001715876664 1182068788 /nfs/dbraw/zinc/06/87/88/1182068788.db2.gz UJYKYJKMVDMQJV-BWPKMQGJSA-N 1 3 319.453 0.566 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@H]1CCCNC1=O)[NH+](C)C ZINC001716306633 1182321283 /nfs/dbraw/zinc/32/12/83/1182321283.db2.gz ZTKVWHHBNDWMFU-BEVHLOIGSA-N 1 3 310.442 0.113 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCn1cc(Cl)cn1 ZINC001716421141 1182383415 /nfs/dbraw/zinc/38/34/15/1182383415.db2.gz XEZBKYWRIPFGJX-SNVBAGLBSA-N 1 3 324.816 0.905 20 0 DCADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001716439911 1182390818 /nfs/dbraw/zinc/39/08/18/1182390818.db2.gz HKSYHCOPYPFJRU-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001716532510 1182427391 /nfs/dbraw/zinc/42/73/91/1182427391.db2.gz MPDFMXOVJRHHGM-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCCO)C1CCCC1 ZINC001716825463 1182535676 /nfs/dbraw/zinc/53/56/76/1182535676.db2.gz YWXNMLKDSPQTCM-OAHLLOKOSA-N 1 3 308.426 0.908 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001717086946 1182671674 /nfs/dbraw/zinc/67/16/74/1182671674.db2.gz CSEFYGMPGAMZCR-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCCF)N1CCCCC1 ZINC001717766637 1182987596 /nfs/dbraw/zinc/98/75/96/1182987596.db2.gz ZZILBOXGXJSLQW-ZDUSSCGKSA-N 1 3 303.422 0.677 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCOCC(F)F)CN1C(=O)Cc1c[nH]cn1 ZINC001717823779 1183018816 /nfs/dbraw/zinc/01/88/16/1183018816.db2.gz JWWVEWULIZOBNR-PWSUYJOCSA-N 1 3 316.352 0.813 20 0 DCADHO CCCN(C)CC(=O)NCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001720527314 1183640566 /nfs/dbraw/zinc/64/05/66/1183640566.db2.gz DIGRFCXQMRUQNO-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](O)CCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001724725165 1184536268 /nfs/dbraw/zinc/53/62/68/1184536268.db2.gz ISJSLWPHVMOZQW-ZIAGYGMSSA-N 1 3 308.426 0.941 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001724815297 1184570333 /nfs/dbraw/zinc/57/03/33/1184570333.db2.gz YIXHRRIIKASHBJ-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO CN(CC(=O)NC1(C[NH2+]CCF)CCOCC1)C1CCC1 ZINC001724918610 1184620676 /nfs/dbraw/zinc/62/06/76/1184620676.db2.gz SCCYJDRGMCLJAF-UHFFFAOYSA-N 1 3 301.406 0.695 20 0 DCADHO C[C@@H](F)CC[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001724986916 1184646568 /nfs/dbraw/zinc/64/65/68/1184646568.db2.gz UICRIYVODHMFSS-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001725587465 1184898743 /nfs/dbraw/zinc/89/87/43/1184898743.db2.gz IBISEHJPORQIHX-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCC(=O)NCC1CC1 ZINC001731986096 1185626616 /nfs/dbraw/zinc/62/66/16/1185626616.db2.gz HVGODRJPZDTVJV-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCC(=O)NCC1CC1 ZINC001731986096 1185626622 /nfs/dbraw/zinc/62/66/22/1185626622.db2.gz HVGODRJPZDTVJV-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001732935568 1186069568 /nfs/dbraw/zinc/06/95/68/1186069568.db2.gz LUOLMRMQCCPRRG-XGERFZHZSA-N 1 3 307.438 0.771 20 0 DCADHO C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+]Cc2ccccc2)C1 ZINC001733625247 1186377065 /nfs/dbraw/zinc/37/70/65/1186377065.db2.gz QHGNSZDBTPQBIY-INIZCTEOSA-N 1 3 319.449 0.939 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNCc2cncc(F)c2)C1 ZINC001733631108 1186381706 /nfs/dbraw/zinc/38/17/06/1186381706.db2.gz ORNQAZYKFFZTRY-CQSZACIVSA-N 1 3 324.400 0.083 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNCc2cncc(F)c2)C1 ZINC001733631108 1186381712 /nfs/dbraw/zinc/38/17/12/1186381712.db2.gz ORNQAZYKFFZTRY-CQSZACIVSA-N 1 3 324.400 0.083 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001736749041 1187083903 /nfs/dbraw/zinc/08/39/03/1187083903.db2.gz MSUKBVJKFINFGK-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001736749041 1187083910 /nfs/dbraw/zinc/08/39/10/1187083910.db2.gz MSUKBVJKFINFGK-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001742878072 1188071358 /nfs/dbraw/zinc/07/13/58/1188071358.db2.gz GREJGCXIDJQQAU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001742878072 1188071362 /nfs/dbraw/zinc/07/13/62/1188071362.db2.gz GREJGCXIDJQQAU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CC1(C(=O)NC/C=C/CNC(=O)CN2CCCC2)CC1 ZINC001747225043 1188252717 /nfs/dbraw/zinc/25/27/17/1188252717.db2.gz RJRYRMPOBMTHLQ-ONEGZZNKSA-N 1 3 322.453 0.213 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cnn(C)c1 ZINC001752170624 1188397100 /nfs/dbraw/zinc/39/71/00/1188397100.db2.gz LZOPFPMAQBQSAB-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cnn(C)c1 ZINC001752170624 1188397103 /nfs/dbraw/zinc/39/71/03/1188397103.db2.gz LZOPFPMAQBQSAB-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCC(C)CC1)[C@H]1CCNC1=O ZINC001752219640 1188406137 /nfs/dbraw/zinc/40/61/37/1188406137.db2.gz SQZFDRXUAHDGDE-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCC(C)CC1)[C@H]1CCNC1=O ZINC001752219640 1188406142 /nfs/dbraw/zinc/40/61/42/1188406142.db2.gz SQZFDRXUAHDGDE-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNCC(=O)NC1CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001753260811 1188552225 /nfs/dbraw/zinc/55/22/25/1188552225.db2.gz XPJXXYUCLRMKPT-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNCC(=O)NC1CCCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753260811 1188552227 /nfs/dbraw/zinc/55/22/27/1188552227.db2.gz XPJXXYUCLRMKPT-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](CC[NH2+]CC(=O)NC)C1 ZINC001753558728 1188617802 /nfs/dbraw/zinc/61/78/02/1188617802.db2.gz HOEKCYMQPZDMAO-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCOCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001753877249 1188670835 /nfs/dbraw/zinc/67/08/35/1188670835.db2.gz ZBLIISKAAKDJHQ-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO CCOCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001753877249 1188670838 /nfs/dbraw/zinc/67/08/38/1188670838.db2.gz ZBLIISKAAKDJHQ-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)[C@@H]1CCCN1C ZINC001754038273 1188718233 /nfs/dbraw/zinc/71/82/33/1188718233.db2.gz DRZZTAJWVNZYGG-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO Cn1nncc1CNCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001754930155 1188975672 /nfs/dbraw/zinc/97/56/72/1188975672.db2.gz DZIXBBNYCOKVPE-ZDUSSCGKSA-N 1 3 308.430 0.095 20 0 DCADHO COCCCC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001755153375 1189038397 /nfs/dbraw/zinc/03/83/97/1189038397.db2.gz ABMXYLFGWPHSOT-UHFFFAOYSA-N 1 3 324.425 0.322 20 0 DCADHO CCN(CC)CC(=O)NCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001758377947 1189861596 /nfs/dbraw/zinc/86/15/96/1189861596.db2.gz RLRZURDUAXTXLT-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO Cn1ccn2c(CCN[C@H]3CC[N@H+](C)C(C)(C)C3)nnc2c1=O ZINC001771882785 1190540250 /nfs/dbraw/zinc/54/02/50/1190540250.db2.gz HLIRDGHRWZSRMH-LBPRGKRZSA-N 1 3 318.425 0.433 20 0 DCADHO Cn1ccn2c(CCN[C@H]3CC[N@@H+](C)C(C)(C)C3)nnc2c1=O ZINC001771882785 1190540253 /nfs/dbraw/zinc/54/02/53/1190540253.db2.gz HLIRDGHRWZSRMH-LBPRGKRZSA-N 1 3 318.425 0.433 20 0 DCADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001772253690 1190644795 /nfs/dbraw/zinc/64/47/95/1190644795.db2.gz XNONZOIBMHHUSM-OWCLPIDISA-N 1 3 315.417 0.312 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001127474188 751411388 /nfs/dbraw/zinc/41/13/88/751411388.db2.gz IPUGCEHYSQKZAA-MRXNPFEDSA-N 1 3 302.422 0.938 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127652788 751605986 /nfs/dbraw/zinc/60/59/86/751605986.db2.gz BWRAXHVWKCRQPF-TZMCWYRMSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127652788 751605991 /nfs/dbraw/zinc/60/59/91/751605991.db2.gz BWRAXHVWKCRQPF-TZMCWYRMSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659784 751609448 /nfs/dbraw/zinc/60/94/48/751609448.db2.gz KTQGMRVLVJDQCE-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659784 751609451 /nfs/dbraw/zinc/60/94/51/751609451.db2.gz KTQGMRVLVJDQCE-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCC[C@@H]2C)CC[N@@H+]1C ZINC001127685189 751628414 /nfs/dbraw/zinc/62/84/14/751628414.db2.gz GXGCRAOMZYASSD-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCC[C@@H]2C)CC[N@H+]1C ZINC001127685189 751628417 /nfs/dbraw/zinc/62/84/17/751628417.db2.gz GXGCRAOMZYASSD-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1 ZINC001107039759 751789541 /nfs/dbraw/zinc/78/95/41/751789541.db2.gz XMOXRWXOBYNRGT-HUUCEWRRSA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CCn2cccn2)C1)N(C)C ZINC001100443712 747053163 /nfs/dbraw/zinc/05/31/63/747053163.db2.gz WOMDJEDKVRFIJE-YMAMQOFZSA-N 1 3 307.442 0.708 20 0 DCADHO C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107609411 752148042 /nfs/dbraw/zinc/14/80/42/752148042.db2.gz QUWATHFWBUARLH-GDBMZVCRSA-N 1 3 315.433 0.895 20 0 DCADHO C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294342 747136813 /nfs/dbraw/zinc/13/68/13/747136813.db2.gz KLONBKHMSNYODT-QLFBSQMISA-N 1 3 311.470 0.926 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167640016 747441434 /nfs/dbraw/zinc/44/14/34/747441434.db2.gz KJURZBOQIZGNOL-UHFFFAOYSA-N 1 3 322.457 0.533 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCC1(CNCc2cnnn2C)CC1 ZINC001167640016 747441435 /nfs/dbraw/zinc/44/14/35/747441435.db2.gz KJURZBOQIZGNOL-UHFFFAOYSA-N 1 3 322.457 0.533 20 0 DCADHO O=S1(=O)CCCN1CCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000695059890 747827602 /nfs/dbraw/zinc/82/76/02/747827602.db2.gz PRYBROUCCHLQRM-AWEZNQCLSA-N 1 3 301.456 0.486 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001104809781 747937528 /nfs/dbraw/zinc/93/75/28/747937528.db2.gz QVZPAMQHUAEDPR-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001104938090 747986271 /nfs/dbraw/zinc/98/62/71/747986271.db2.gz OTWGOXNLSPVOGT-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO CN1C[C@H]2CCCN(S(=O)(=O)CC3CC[NH2+]CC3)[C@H]2C1 ZINC001239097956 752245904 /nfs/dbraw/zinc/24/59/04/752245904.db2.gz UKFZXTNDVFRQCB-KGLIPLIRSA-N 1 3 301.456 0.342 20 0 DCADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372482 748639335 /nfs/dbraw/zinc/63/93/35/748639335.db2.gz JPEVHRILCVWQTA-ZDUSSCGKSA-N 1 3 320.441 0.359 20 0 DCADHO CC(C)CNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372482 748639340 /nfs/dbraw/zinc/63/93/40/748639340.db2.gz JPEVHRILCVWQTA-ZDUSSCGKSA-N 1 3 320.441 0.359 20 0 DCADHO Cc1cccc(CN2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@@H](O)C2)c1 ZINC001083368842 748649609 /nfs/dbraw/zinc/64/96/09/748649609.db2.gz YMGHMYGOXSCARZ-ZACQAIPSSA-N 1 3 317.433 0.751 20 0 DCADHO Cc1cccc(CN2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)c1 ZINC001083368842 748649613 /nfs/dbraw/zinc/64/96/13/748649613.db2.gz YMGHMYGOXSCARZ-ZACQAIPSSA-N 1 3 317.433 0.751 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)c1 ZINC001086558001 761908000 /nfs/dbraw/zinc/90/80/00/761908000.db2.gz ONSBLSNMHJOIIH-KOMQPUFPSA-N 1 3 305.422 0.839 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC001203443263 749111473 /nfs/dbraw/zinc/11/14/73/749111473.db2.gz RGJAFEPSRVFUSZ-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCNCc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098716013 749213724 /nfs/dbraw/zinc/21/37/24/749213724.db2.gz NQRSMRXRYXGFCS-AWEZNQCLSA-N 1 3 308.430 0.503 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001088380604 749411235 /nfs/dbraw/zinc/41/12/35/749411235.db2.gz LTMJSZLMHQESTE-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001168320536 749915013 /nfs/dbraw/zinc/91/50/13/749915013.db2.gz AVCKHERNCRXFDV-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083521672 750091321 /nfs/dbraw/zinc/09/13/21/750091321.db2.gz CJXJZMZUDZZGDC-XHSDSOJGSA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083521672 750091327 /nfs/dbraw/zinc/09/13/27/750091327.db2.gz CJXJZMZUDZZGDC-XHSDSOJGSA-N 1 3 309.454 0.536 20 0 DCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219801 750275170 /nfs/dbraw/zinc/27/51/70/750275170.db2.gz YUVPIDCJWOHLHQ-HZPDHXFCSA-N 1 3 321.465 0.824 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254228 750927628 /nfs/dbraw/zinc/92/76/28/750927628.db2.gz DFUFATTUEAROAB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254228 750927630 /nfs/dbraw/zinc/92/76/30/750927630.db2.gz DFUFATTUEAROAB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001106246282 751061974 /nfs/dbraw/zinc/06/19/74/751061974.db2.gz KOKNQGUXXLIEQT-FRRDWIJNSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1)N(C)C ZINC001106312582 751106875 /nfs/dbraw/zinc/10/68/75/751106875.db2.gz JIJJLJYLVWVCTE-KBUPBQIOSA-N 1 3 315.458 0.018 20 0 DCADHO CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453347 751153131 /nfs/dbraw/zinc/15/31/31/751153131.db2.gz KGOAUXGEIKFHQW-MYPHYYIGSA-N 1 3 321.465 0.944 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666878 751221344 /nfs/dbraw/zinc/22/13/44/751221344.db2.gz YAADOHDWMZIIKN-RRFJBIMHSA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705247 751238217 /nfs/dbraw/zinc/23/82/17/751238217.db2.gz YPKLABNYZDWIQR-MGPQQGTHSA-N 1 3 308.426 0.797 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)cc1 ZINC001077843974 752789466 /nfs/dbraw/zinc/78/94/66/752789466.db2.gz QCZPRPOPPDOBTQ-IAGOWNOFSA-N 1 3 317.433 0.933 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044756964 752861204 /nfs/dbraw/zinc/86/12/04/752861204.db2.gz SAMZHZAAMSVBPH-KBPBESRZSA-N 1 3 316.409 0.818 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1)C1CC1 ZINC001045067704 753030965 /nfs/dbraw/zinc/03/09/65/753030965.db2.gz QIWOWGMOUFOFGI-HOTGVXAUSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001045322443 753144835 /nfs/dbraw/zinc/14/48/35/753144835.db2.gz IWXSQBLWTQYKKX-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC2CC2)C1)C1CC1 ZINC001078412239 753230610 /nfs/dbraw/zinc/23/06/10/753230610.db2.gz WUXXYBDEEVSZBM-CVEARBPZSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001078503742 753276602 /nfs/dbraw/zinc/27/66/02/753276602.db2.gz XTIWWNDAQPVZJO-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001078503742 753276606 /nfs/dbraw/zinc/27/66/06/753276606.db2.gz XTIWWNDAQPVZJO-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2)N1CCCC1 ZINC001078695415 753347608 /nfs/dbraw/zinc/34/76/08/753347608.db2.gz MATKJFMIYOZUHN-UONOGXRCSA-N 1 3 309.454 0.870 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066080 753458898 /nfs/dbraw/zinc/45/88/98/753458898.db2.gz HYUPUGKJPZVHJW-HNNXBMFYSA-N 1 3 305.426 0.579 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066080 753458904 /nfs/dbraw/zinc/45/89/04/753458904.db2.gz HYUPUGKJPZVHJW-HNNXBMFYSA-N 1 3 305.426 0.579 20 0 DCADHO C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117275770 753655952 /nfs/dbraw/zinc/65/59/52/753655952.db2.gz HKHFGSRUJYHLPC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046831218 753965584 /nfs/dbraw/zinc/96/55/84/753965584.db2.gz HSJXOJOKECJPGD-RHSMWYFYSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046831218 753965590 /nfs/dbraw/zinc/96/55/90/753965590.db2.gz HSJXOJOKECJPGD-RHSMWYFYSA-N 1 3 319.453 0.495 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCC2(F)F)C1 ZINC001046992798 754059146 /nfs/dbraw/zinc/05/91/46/754059146.db2.gz CYHZLMTXGFLDDO-CHWSQXEVSA-N 1 3 319.396 0.394 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCO)CCC2(F)F)C1 ZINC001046992798 754059153 /nfs/dbraw/zinc/05/91/53/754059153.db2.gz CYHZLMTXGFLDDO-CHWSQXEVSA-N 1 3 319.396 0.394 20 0 DCADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424363 754269682 /nfs/dbraw/zinc/26/96/82/754269682.db2.gz IOGHNVURUCHXCU-GJZGRUSLSA-N 1 3 309.454 0.774 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001128779181 754273839 /nfs/dbraw/zinc/27/38/39/754273839.db2.gz RCYGDTNYSZLKCR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001128779181 754273845 /nfs/dbraw/zinc/27/38/45/754273845.db2.gz RCYGDTNYSZLKCR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047984007 754563245 /nfs/dbraw/zinc/56/32/45/754563245.db2.gz PRNWEVZJDAOGQS-STQMWFEESA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066734 754599044 /nfs/dbraw/zinc/59/90/44/754599044.db2.gz PHIBGEJZDBHLAO-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1)[NH+](C)C ZINC001048875587 754991891 /nfs/dbraw/zinc/99/18/91/754991891.db2.gz FAFRTXUIJTWENP-LZWOXQAQSA-N 1 3 324.469 0.051 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1)[NH+](C)C ZINC001049038055 755087210 /nfs/dbraw/zinc/08/72/10/755087210.db2.gz FAFRTXUIJTWENP-IJEWVQPXSA-N 1 3 324.469 0.051 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(CC)CC ZINC001168764281 755624115 /nfs/dbraw/zinc/62/41/15/755624115.db2.gz XGWSNWRFHCPPIA-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO CC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263017 755761832 /nfs/dbraw/zinc/76/18/32/755761832.db2.gz IOUMYTVGOUFFMR-LSDHHAIUSA-N 1 3 318.421 0.912 20 0 DCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188710 756124263 /nfs/dbraw/zinc/12/42/63/756124263.db2.gz QOBHIRSJJSFUTB-FVQBIDKESA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001080188710 756124267 /nfs/dbraw/zinc/12/42/67/756124267.db2.gz QOBHIRSJJSFUTB-FVQBIDKESA-N 1 3 309.454 0.680 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)CC[NH+](C)C)C1 ZINC001080442020 756214421 /nfs/dbraw/zinc/21/44/21/756214421.db2.gz IRWOTEBWARGEIQ-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001080444042 756215750 /nfs/dbraw/zinc/21/57/50/756215750.db2.gz CFOHZPAPMFWKHJ-MRXNPFEDSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C[C@@H]1C ZINC001118515467 756229241 /nfs/dbraw/zinc/22/92/41/756229241.db2.gz PLEFHWSBEKBBGF-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C[C@@H]1C ZINC001118515467 756229246 /nfs/dbraw/zinc/22/92/46/756229246.db2.gz PLEFHWSBEKBBGF-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001054198219 756404183 /nfs/dbraw/zinc/40/41/83/756404183.db2.gz SLSKDVKPLOUSHZ-DOTOQJQBSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001054198219 756404184 /nfs/dbraw/zinc/40/41/84/756404184.db2.gz SLSKDVKPLOUSHZ-DOTOQJQBSA-N 1 3 309.454 0.635 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001054298421 756427937 /nfs/dbraw/zinc/42/79/37/756427937.db2.gz KMDADEJEYZBWIZ-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054737918 756621930 /nfs/dbraw/zinc/62/19/30/756621930.db2.gz PKCVMXVXBWYOIF-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054742307 756624227 /nfs/dbraw/zinc/62/42/27/756624227.db2.gz YWCPRYHZEIUJTC-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C)n[nH]1 ZINC001082520109 757173742 /nfs/dbraw/zinc/17/37/42/757173742.db2.gz AQNSNLSAXSNLOA-HBJVGIJOSA-N 1 3 320.441 0.390 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)n[nH]1 ZINC001082520109 757173747 /nfs/dbraw/zinc/17/37/47/757173747.db2.gz AQNSNLSAXSNLOA-HBJVGIJOSA-N 1 3 320.441 0.390 20 0 DCADHO C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001082782598 757264047 /nfs/dbraw/zinc/26/40/47/757264047.db2.gz HCXBUDPQUREQSF-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)n[nH]1 ZINC001082920738 757329457 /nfs/dbraw/zinc/32/94/57/757329457.db2.gz BCXYSFRHLRNYCM-KGYLQXTDSA-N 1 3 306.414 0.001 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n[nH]1 ZINC001082920738 757329468 /nfs/dbraw/zinc/32/94/68/757329468.db2.gz BCXYSFRHLRNYCM-KGYLQXTDSA-N 1 3 306.414 0.001 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)C1 ZINC001084054157 757641393 /nfs/dbraw/zinc/64/13/93/757641393.db2.gz YQDGTVPIGPNWCB-OAGGEKHMSA-N 1 3 309.454 0.680 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)C1 ZINC001084054157 757641397 /nfs/dbraw/zinc/64/13/97/757641397.db2.gz YQDGTVPIGPNWCB-OAGGEKHMSA-N 1 3 309.454 0.680 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001170221505 762571430 /nfs/dbraw/zinc/57/14/30/762571430.db2.gz CDVYJTXTMSLXTD-UHFFFAOYSA-N 1 3 307.442 0.767 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001170221505 762571436 /nfs/dbraw/zinc/57/14/36/762571436.db2.gz CDVYJTXTMSLXTD-UHFFFAOYSA-N 1 3 307.442 0.767 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)N(C)C[C@@H]2C[NH2+]CCO2)c(C)c1 ZINC001157716730 762607528 /nfs/dbraw/zinc/60/75/28/762607528.db2.gz RCZDOGYMHAMUNZ-HOTGVXAUSA-N 1 3 305.422 0.620 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001085225301 758769377 /nfs/dbraw/zinc/76/93/77/758769377.db2.gz QAVTVVDFKXSLEJ-RBSFLKMASA-N 1 3 324.469 0.752 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001085225301 758769383 /nfs/dbraw/zinc/76/93/83/758769383.db2.gz QAVTVVDFKXSLEJ-RBSFLKMASA-N 1 3 324.469 0.752 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107127 759184282 /nfs/dbraw/zinc/18/42/82/759184282.db2.gz BHSJTCBPCMWIIA-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107127 759184287 /nfs/dbraw/zinc/18/42/87/759184287.db2.gz BHSJTCBPCMWIIA-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109116 759185558 /nfs/dbraw/zinc/18/55/58/759185558.db2.gz WKBASZBONTTZAN-MRXNPFEDSA-N 1 3 320.481 0.709 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701692 759214814 /nfs/dbraw/zinc/21/48/14/759214814.db2.gz WBZWHPOAOUDWJA-JSGCOSHPSA-N 1 3 302.378 0.861 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701692 759214821 /nfs/dbraw/zinc/21/48/21/759214821.db2.gz WBZWHPOAOUDWJA-JSGCOSHPSA-N 1 3 302.378 0.861 20 0 DCADHO CCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732024 759246221 /nfs/dbraw/zinc/24/62/21/759246221.db2.gz PMXIDVISZCYKGC-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732024 759246226 /nfs/dbraw/zinc/24/62/26/759246226.db2.gz PMXIDVISZCYKGC-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001147877239 767869306 /nfs/dbraw/zinc/86/93/06/767869306.db2.gz HRWNEZGUWNGFNQ-HNNXBMFYSA-N 1 3 319.453 0.695 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001147877239 767869314 /nfs/dbraw/zinc/86/93/14/767869314.db2.gz HRWNEZGUWNGFNQ-HNNXBMFYSA-N 1 3 319.453 0.695 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001147884574 767872636 /nfs/dbraw/zinc/87/26/36/767872636.db2.gz FTOFIDRIGQVMRW-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001147884574 767872646 /nfs/dbraw/zinc/87/26/46/767872646.db2.gz FTOFIDRIGQVMRW-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970596 767888907 /nfs/dbraw/zinc/88/89/07/767888907.db2.gz MHVBDBRYONMNBO-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086364597 760106565 /nfs/dbraw/zinc/10/65/65/760106565.db2.gz KJRNIZQBYINGKG-AAVRWANBSA-N 1 3 310.442 0.217 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001100080286 760169022 /nfs/dbraw/zinc/16/90/22/760169022.db2.gz GZLMENSAGQSPPX-UONOGXRCSA-N 1 3 303.422 0.629 20 0 DCADHO CC[NH+]1CCC(N2CCC3(CC2)C(=O)N(C)CCN3C)CC1 ZINC001169253656 760615476 /nfs/dbraw/zinc/61/54/76/760615476.db2.gz GDPUYBGROBRGFU-UHFFFAOYSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351521 767966973 /nfs/dbraw/zinc/96/69/73/767966973.db2.gz KUXCXUDKJZDMBX-CYBMUJFWSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H](O)CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351521 767966980 /nfs/dbraw/zinc/96/69/80/767966980.db2.gz KUXCXUDKJZDMBX-CYBMUJFWSA-N 1 3 306.410 0.648 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCc2cncn2C)C1 ZINC001129341382 760778565 /nfs/dbraw/zinc/77/85/65/760778565.db2.gz TYHPPMBVFSWROE-AWEZNQCLSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCc2cncn2C)C1 ZINC001129341382 760778571 /nfs/dbraw/zinc/77/85/71/760778571.db2.gz TYHPPMBVFSWROE-AWEZNQCLSA-N 1 3 307.442 0.604 20 0 DCADHO CN(C)CCCN(CCC[NH3+])C1CCC(S(C)(=O)=O)CC1 ZINC001169861235 760907445 /nfs/dbraw/zinc/90/74/45/760907445.db2.gz JPRSFSMRAQLDTD-UHFFFAOYSA-N 1 3 319.515 0.945 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCCNCc2cnnn2C)CC1 ZINC001169941385 760932490 /nfs/dbraw/zinc/93/24/90/760932490.db2.gz QQKDLFKGIXQGBA-UHFFFAOYSA-N 1 3 322.457 0.531 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCO[C@H]2CC2(F)F)CCC1 ZINC001129358965 761013342 /nfs/dbraw/zinc/01/33/42/761013342.db2.gz ZSUJKLMPDPYVNZ-NSHDSACASA-N 1 3 305.369 0.601 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CC[N@H+](C)CCC ZINC001148570378 768016830 /nfs/dbraw/zinc/01/68/30/768016830.db2.gz CBCAVWQLBHKECA-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CC[N@@H+](C)CCC ZINC001148570378 768016835 /nfs/dbraw/zinc/01/68/35/768016835.db2.gz CBCAVWQLBHKECA-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001070541245 761301631 /nfs/dbraw/zinc/30/16/31/761301631.db2.gz RTPCVBMRTPBXEP-GXTWGEPZSA-N 1 3 302.382 0.290 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCOCCO ZINC001176285242 770062416 /nfs/dbraw/zinc/06/24/16/770062416.db2.gz NVZZAYJNLGWXEW-OAHLLOKOSA-N 1 3 317.474 0.602 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1)N(C)C ZINC001091758987 768046030 /nfs/dbraw/zinc/04/60/30/768046030.db2.gz UXLZVAQKCHSPOX-VYDXJSESSA-N 1 3 311.470 0.735 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1)N(C)C ZINC001091758987 768046035 /nfs/dbraw/zinc/04/60/35/768046035.db2.gz UXLZVAQKCHSPOX-VYDXJSESSA-N 1 3 311.470 0.735 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC ZINC001109932884 761610233 /nfs/dbraw/zinc/61/02/33/761610233.db2.gz XLXKWGPQPFOMLI-QPSCCSFWSA-N 1 3 313.442 0.057 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC ZINC001109932884 761610237 /nfs/dbraw/zinc/61/02/37/761610237.db2.gz XLXKWGPQPFOMLI-QPSCCSFWSA-N 1 3 313.442 0.057 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(N)=O)C1 ZINC001112568040 761696512 /nfs/dbraw/zinc/69/65/12/761696512.db2.gz UQDUPNWYWBYVOY-KEYYUXOJSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)c1cc(C[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)ccn1 ZINC001129436734 762943652 /nfs/dbraw/zinc/94/36/52/762943652.db2.gz SBECOUWTBMYIIL-MRXNPFEDSA-N 1 3 319.453 0.694 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437042 762943918 /nfs/dbraw/zinc/94/39/18/762943918.db2.gz VAJHXENFIKBRON-WFASDCNBSA-N 1 3 312.458 0.193 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc2nonc2c1)C1CC1 ZINC001129442774 762944744 /nfs/dbraw/zinc/94/47/44/762944744.db2.gz FYDLVAGSMMAOJE-OAHLLOKOSA-N 1 3 317.393 0.769 20 0 DCADHO CC(C)OCCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975007 763180290 /nfs/dbraw/zinc/18/02/90/763180290.db2.gz XNMAMQZKAVQFMN-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCN1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076218 763285544 /nfs/dbraw/zinc/28/55/44/763285544.db2.gz IBIWWEVNWNXHBL-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130427240 763298135 /nfs/dbraw/zinc/29/81/35/763298135.db2.gz KQEMMCRQIYQDKR-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130427240 763298137 /nfs/dbraw/zinc/29/81/37/763298137.db2.gz KQEMMCRQIYQDKR-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)N(C)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001130450205 763309221 /nfs/dbraw/zinc/30/92/21/763309221.db2.gz MBIVUMYSELFNLO-CYBMUJFWSA-N 1 3 323.441 0.148 20 0 DCADHO CC(C)N(C)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130450205 763309228 /nfs/dbraw/zinc/30/92/28/763309228.db2.gz MBIVUMYSELFNLO-CYBMUJFWSA-N 1 3 323.441 0.148 20 0 DCADHO CN(CC[NH3+])CCNc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001170498323 763350363 /nfs/dbraw/zinc/35/03/63/763350363.db2.gz JPHSVURERXEQHS-UHFFFAOYSA-N 1 3 322.457 0.827 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1=O ZINC001130713270 763452902 /nfs/dbraw/zinc/45/29/02/763452902.db2.gz JCWRFOCUBIXTHF-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1=O ZINC001130713270 763452904 /nfs/dbraw/zinc/45/29/04/763452904.db2.gz JCWRFOCUBIXTHF-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(C[NH2+]CCNC(=O)c2ccn3cncc3c2)ncn1 ZINC001130874832 763548961 /nfs/dbraw/zinc/54/89/61/763548961.db2.gz PSFYFQAHFAKAJM-UHFFFAOYSA-N 1 3 310.361 0.952 20 0 DCADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001100729847 763750142 /nfs/dbraw/zinc/75/01/42/763750142.db2.gz SENUZGOTAVIDES-NRXISQOPSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1oncc1CNC1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870980 763834370 /nfs/dbraw/zinc/83/43/70/763834370.db2.gz VJKDXQULRMXJCS-UHFFFAOYSA-N 1 3 324.425 0.546 20 0 DCADHO C[C@H](Nc1ccc2nc([C@H]3CC[NH2+]C3)nn2c1)[C@H]1CNCCO1 ZINC001170576493 763926527 /nfs/dbraw/zinc/92/65/27/763926527.db2.gz VQLJYUQZKOXTPW-SGMGOOAPSA-N 1 3 316.409 0.595 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001101036633 763930809 /nfs/dbraw/zinc/93/08/09/763930809.db2.gz WNEZNSZCCSGFNA-RUXDESIVSA-N 1 3 310.442 0.091 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790262 764014797 /nfs/dbraw/zinc/01/47/97/764014797.db2.gz KDBDEYGPZBKPGV-MRXNPFEDSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+](C)C1(CC(=O)NCCN[C@H]2CCCNC2=O)CCCC1 ZINC001131840784 764057450 /nfs/dbraw/zinc/05/74/50/764057450.db2.gz VJAJDBDTHTXRLC-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](C[C@H]1CCOC1)C2 ZINC001092050574 768186003 /nfs/dbraw/zinc/18/60/03/768186003.db2.gz YEJSDNZNWUNGJN-CPUCHLNUSA-N 1 3 318.421 0.769 20 0 DCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](C[C@H]1CCOC1)C2 ZINC001092050574 768186008 /nfs/dbraw/zinc/18/60/08/768186008.db2.gz YEJSDNZNWUNGJN-CPUCHLNUSA-N 1 3 318.421 0.769 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131834896 764069327 /nfs/dbraw/zinc/06/93/27/764069327.db2.gz JJKDLSVANQQWBX-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213677 764553825 /nfs/dbraw/zinc/55/38/25/764553825.db2.gz PAGASBVBTYVPKG-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102213677 764553835 /nfs/dbraw/zinc/55/38/35/764553835.db2.gz PAGASBVBTYVPKG-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001132737785 764614909 /nfs/dbraw/zinc/61/49/09/764614909.db2.gz QBGSQLATELUKSS-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001132737785 764614917 /nfs/dbraw/zinc/61/49/17/764614917.db2.gz QBGSQLATELUKSS-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1nc(C)c(C[NH2+]CCNC(=O)[C@H]2CN(C(C)C)CCO2)o1 ZINC001132848318 764689208 /nfs/dbraw/zinc/68/92/08/764689208.db2.gz DWLLGYSXYNNOJI-OAHLLOKOSA-N 1 3 324.425 0.606 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135271 764840021 /nfs/dbraw/zinc/84/00/21/764840021.db2.gz OKQQULPHMAHHDR-QWHCGFSZSA-N 1 3 321.425 0.163 20 0 DCADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC001133285851 764905904 /nfs/dbraw/zinc/90/59/04/764905904.db2.gz LOJZRXRIHUPGQM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1c2cc(CNCCNC(=O)CC[NH+](C)C)ccc2oc1=O ZINC001133288495 764907850 /nfs/dbraw/zinc/90/78/50/764907850.db2.gz YFFKTQZMCOGROF-UHFFFAOYSA-N 1 3 320.393 0.289 20 0 DCADHO C[C@@H]1C[C@@H](C)CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1 ZINC001133291681 764909914 /nfs/dbraw/zinc/90/99/14/764909914.db2.gz VXSQUWJOLGVSQN-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)N[C@H](C)C1CC1)[NH+](C)C ZINC001133434378 764968264 /nfs/dbraw/zinc/96/82/64/764968264.db2.gz ONMUVSNDFFDUHH-IUODEOHRSA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)[NH+](CC)CC ZINC001133684291 765090380 /nfs/dbraw/zinc/09/03/80/765090380.db2.gz GJOCEQVLKPULJS-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133819573 765149998 /nfs/dbraw/zinc/14/99/98/765149998.db2.gz HTWQEIZBCHWZJN-CYBMUJFWSA-N 1 3 318.421 0.476 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133819573 765150003 /nfs/dbraw/zinc/15/00/03/765150003.db2.gz HTWQEIZBCHWZJN-CYBMUJFWSA-N 1 3 318.421 0.476 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1 ZINC001133834262 765165389 /nfs/dbraw/zinc/16/53/89/765165389.db2.gz SIXCROGEOREVSY-CQSZACIVSA-N 1 3 319.453 0.838 20 0 DCADHO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C)c1nccn12 ZINC001092354900 768270583 /nfs/dbraw/zinc/27/05/83/768270583.db2.gz OLFRLANFKPAWGN-KBPBESRZSA-N 1 3 317.437 0.958 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133867588 765194069 /nfs/dbraw/zinc/19/40/69/765194069.db2.gz VSOSLXPPKSREGF-DOMZBBRYSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133867588 765194070 /nfs/dbraw/zinc/19/40/70/765194070.db2.gz VSOSLXPPKSREGF-DOMZBBRYSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133869890 765197484 /nfs/dbraw/zinc/19/74/84/765197484.db2.gz NHMBPITXQWRDMS-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133869890 765197490 /nfs/dbraw/zinc/19/74/90/765197490.db2.gz NHMBPITXQWRDMS-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908045 765220144 /nfs/dbraw/zinc/22/01/44/765220144.db2.gz FIIWKNJSFBGALK-CYBMUJFWSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(=O)NC1CC1 ZINC001133908353 765221352 /nfs/dbraw/zinc/22/13/52/765221352.db2.gz NTNYCUKRLJDSJX-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](COCC(=O)NCCNC/C=C/Cl)[NH+]1CCCC1 ZINC001134020513 765289780 /nfs/dbraw/zinc/28/97/80/765289780.db2.gz CQGGWGTXHISQCV-MUBLQREKSA-N 1 3 303.834 0.946 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001115162455 765617224 /nfs/dbraw/zinc/61/72/24/765617224.db2.gz VTHHJUXPWVPZQC-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001115162455 765617228 /nfs/dbraw/zinc/61/72/28/765617228.db2.gz VTHHJUXPWVPZQC-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134772437 765665271 /nfs/dbraw/zinc/66/52/71/765665271.db2.gz DEHKLVSMBPAWAV-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001115303440 765685242 /nfs/dbraw/zinc/68/52/42/765685242.db2.gz CRQIUCUAWAIARX-LJIGWXMPSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001115303440 765685246 /nfs/dbraw/zinc/68/52/46/765685246.db2.gz CRQIUCUAWAIARX-LJIGWXMPSA-N 1 3 309.454 0.942 20 0 DCADHO CC(=O)Nc1cccc(C[NH2+]CCNC(=O)[C@H]2CCCN2C)c1 ZINC001124837255 768312928 /nfs/dbraw/zinc/31/29/28/768312928.db2.gz LACZZWCKLUAHEJ-MRXNPFEDSA-N 1 3 318.421 0.945 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866495 768316410 /nfs/dbraw/zinc/31/64/10/768316410.db2.gz DPGLJEMWPWPZIZ-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)N1CCC(C)CC1 ZINC001124866762 768317145 /nfs/dbraw/zinc/31/71/45/768317145.db2.gz KMKVFVHXRDGSLP-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NCCN[C@H]2CCCNC2=O)cc1 ZINC001135334245 765896205 /nfs/dbraw/zinc/89/62/05/765896205.db2.gz MFDUENBKCNKQHI-HNNXBMFYSA-N 1 3 318.421 0.346 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(=O)NC1CC1)C(C)C ZINC001135478246 765949910 /nfs/dbraw/zinc/94/99/10/765949910.db2.gz YNAXUQGYYKABKB-HNNXBMFYSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513020 765965992 /nfs/dbraw/zinc/96/59/92/765965992.db2.gz DBBJJWRXIQMJAK-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001135705714 766061887 /nfs/dbraw/zinc/06/18/87/766061887.db2.gz IEXLRICTXULZOD-ZIAGYGMSSA-N 1 3 310.446 0.493 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001135980524 766193495 /nfs/dbraw/zinc/19/34/95/766193495.db2.gz PKFMLPVUMMMQHL-ZIAGYGMSSA-N 1 3 310.446 0.493 20 0 DCADHO C[NH+](C)CCCOC1CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC001118199752 766253722 /nfs/dbraw/zinc/25/37/22/766253722.db2.gz SMHWOLYCMAFOPE-GFCCVEGCSA-N 1 3 307.385 0.928 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cn1 ZINC001159855019 766285854 /nfs/dbraw/zinc/28/58/54/766285854.db2.gz ZZIJLSXQOCSUKG-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(CCCF)C[C@H]2O)CC1 ZINC001090619921 766386248 /nfs/dbraw/zinc/38/62/48/766386248.db2.gz AYEIVCOMZPLYOC-LSDHHAIUSA-N 1 3 315.433 0.629 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001120189081 766926959 /nfs/dbraw/zinc/92/69/59/766926959.db2.gz GTUVQWANGCEQFT-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CN1CCC(NC(=O)c2ccc(NCC(C)(C)[NH3+])nn2)CC1 ZINC001171191351 766950335 /nfs/dbraw/zinc/95/03/35/766950335.db2.gz QHZLZCBICOJZOU-UHFFFAOYSA-N 1 3 306.414 0.450 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120440460 767014806 /nfs/dbraw/zinc/01/48/06/767014806.db2.gz NJRPSHNQFZIODT-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120440460 767014817 /nfs/dbraw/zinc/01/48/17/767014817.db2.gz NJRPSHNQFZIODT-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001171215365 767019747 /nfs/dbraw/zinc/01/97/47/767019747.db2.gz BCRHVUFGEAYVCW-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001171215365 767019757 /nfs/dbraw/zinc/01/97/57/767019757.db2.gz BCRHVUFGEAYVCW-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120470201 767027288 /nfs/dbraw/zinc/02/72/88/767027288.db2.gz PBHSGPLDYBOAKE-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120470201 767027298 /nfs/dbraw/zinc/02/72/98/767027298.db2.gz PBHSGPLDYBOAKE-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001120626537 767097866 /nfs/dbraw/zinc/09/78/66/767097866.db2.gz RKAYCLHRKIWRMR-GJZGRUSLSA-N 1 3 310.442 0.369 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C ZINC001160889689 767382534 /nfs/dbraw/zinc/38/25/34/767382534.db2.gz PCPOCRZSRSZTEH-QWHCGFSZSA-N 1 3 321.487 0.103 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H](C)C(=O)NC2CC2)CC1 ZINC001146377344 767436778 /nfs/dbraw/zinc/43/67/78/767436778.db2.gz ZNQLXAZJQPPSMU-CYBMUJFWSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)CN1CCCC1)[NH2+]Cc1ccn(C)n1 ZINC001146340903 767438180 /nfs/dbraw/zinc/43/81/80/767438180.db2.gz UKAHCNRICAVDEM-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121238142 767475919 /nfs/dbraw/zinc/47/59/19/767475919.db2.gz JBYXXDCRDJWXKT-BHTBLZRRSA-N 1 3 309.454 0.869 20 0 DCADHO COCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146592316 767485708 /nfs/dbraw/zinc/48/57/08/767485708.db2.gz JKXSCTKZGMUYFN-GJZGRUSLSA-N 1 3 317.474 0.863 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001146593562 767485767 /nfs/dbraw/zinc/48/57/67/767485767.db2.gz PZFSEQKIADZRIT-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001146594334 767485868 /nfs/dbraw/zinc/48/58/68/767485868.db2.gz SKHYOCAIALYYAF-KBPBESRZSA-N 1 3 303.447 0.208 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2)N(C)C ZINC001121707302 767624061 /nfs/dbraw/zinc/62/40/61/767624061.db2.gz GSCAAQDANRABMZ-WXQWYESMSA-N 1 3 324.469 0.463 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](CCCF)CCCO1 ZINC001150478988 769867683 /nfs/dbraw/zinc/86/76/83/769867683.db2.gz CEKPBGRQFYPMJZ-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1 ZINC001150478988 769867698 /nfs/dbraw/zinc/86/76/98/769867698.db2.gz CEKPBGRQFYPMJZ-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO C[C@H](O)C[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219911 768596750 /nfs/dbraw/zinc/59/67/50/768596750.db2.gz QHWHHIYAKNNDOT-CABCVRRESA-N 1 3 309.454 0.847 20 0 DCADHO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219911 768596753 /nfs/dbraw/zinc/59/67/53/768596753.db2.gz QHWHHIYAKNNDOT-CABCVRRESA-N 1 3 309.454 0.847 20 0 DCADHO CC(C)N(C)CC(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001142584478 768651870 /nfs/dbraw/zinc/65/18/70/768651870.db2.gz YJHZJQFDYBRUSI-CQSZACIVSA-N 1 3 307.442 0.743 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149860993 768888620 /nfs/dbraw/zinc/88/86/20/768888620.db2.gz KSYPEFYMJFEFLV-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149860993 768888633 /nfs/dbraw/zinc/88/86/33/768888633.db2.gz KSYPEFYMJFEFLV-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150607229 769139833 /nfs/dbraw/zinc/13/98/33/769139833.db2.gz SEYSFNKJOYMUND-OAHLLOKOSA-N 1 3 315.458 0.308 20 0 DCADHO CN(C)c1ccccc1CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049491 769246373 /nfs/dbraw/zinc/24/63/73/769246373.db2.gz QOHNOEDTJYFWSW-HNNXBMFYSA-N 1 3 304.438 0.910 20 0 DCADHO CN(C)c1ccccc1CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049491 769246381 /nfs/dbraw/zinc/24/63/81/769246381.db2.gz QOHNOEDTJYFWSW-HNNXBMFYSA-N 1 3 304.438 0.910 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCn1cncn1)N(C)C ZINC001171509192 769312605 /nfs/dbraw/zinc/31/26/05/769312605.db2.gz MXTPATLNEQWDBE-LSDHHAIUSA-N 1 3 324.473 0.883 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCn1nc(C)nc1C ZINC001171762768 769371047 /nfs/dbraw/zinc/37/10/47/769371047.db2.gz KLANPEXMNOPWBS-UHFFFAOYSA-N 1 3 310.446 0.333 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152224405 769510823 /nfs/dbraw/zinc/51/08/23/769510823.db2.gz WRGLEPBPOPHFPF-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001152393136 769546885 /nfs/dbraw/zinc/54/68/85/769546885.db2.gz DBCOZRMWPFQWAD-HNNXBMFYSA-N 1 3 318.421 0.346 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1COc2cccc(OC)c2C1 ZINC001173159191 769551597 /nfs/dbraw/zinc/55/15/97/769551597.db2.gz GATDYWRYLHNBGR-JSGCOSHPSA-N 1 3 321.421 0.832 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001152459143 769566684 /nfs/dbraw/zinc/56/66/84/769566684.db2.gz ZTRCAHUWVRSLOR-KBPBESRZSA-N 1 3 320.441 0.346 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C(=O)OC ZINC001173567246 769660772 /nfs/dbraw/zinc/66/07/72/769660772.db2.gz XYJKHBPCOJNTIR-XDQVBPFNSA-N 1 3 312.410 0.659 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C(=O)OC ZINC001173567246 769660782 /nfs/dbraw/zinc/66/07/82/769660782.db2.gz XYJKHBPCOJNTIR-XDQVBPFNSA-N 1 3 312.410 0.659 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c[nH]c2nccnc12 ZINC001153205715 769752760 /nfs/dbraw/zinc/75/27/60/769752760.db2.gz UBAOPNZQZMCSJA-UHFFFAOYSA-N 1 3 303.370 0.587 20 0 DCADHO C[C@@H](N)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001235530460 769878696 /nfs/dbraw/zinc/87/86/96/769878696.db2.gz NDZHMIPXXUIFPP-GBOPCIDUSA-N 1 3 307.394 0.437 20 0 DCADHO C[C@@H](N)C[N@H+]1C[C@@H]2COC[C@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001235530460 769878706 /nfs/dbraw/zinc/87/87/06/769878706.db2.gz NDZHMIPXXUIFPP-GBOPCIDUSA-N 1 3 307.394 0.437 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCN(C2CC[NH2+]CC2)CC1 ZINC001235697961 769932728 /nfs/dbraw/zinc/93/27/28/769932728.db2.gz FCJLSVZWJLFYCH-UHFFFAOYSA-N 1 3 321.494 0.658 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176071865 770009042 /nfs/dbraw/zinc/00/90/42/770009042.db2.gz JQWMDMLDBPYCRV-CYBMUJFWSA-N 1 3 306.410 0.638 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176071865 770009059 /nfs/dbraw/zinc/00/90/59/770009059.db2.gz JQWMDMLDBPYCRV-CYBMUJFWSA-N 1 3 306.410 0.638 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072482 770012732 /nfs/dbraw/zinc/01/27/32/770012732.db2.gz VSFPPQCPTKDRKY-AWEZNQCLSA-N 1 3 306.410 0.638 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072482 770012744 /nfs/dbraw/zinc/01/27/44/770012744.db2.gz VSFPPQCPTKDRKY-AWEZNQCLSA-N 1 3 306.410 0.638 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCn1cncn1)N(C)C ZINC001154000707 770032481 /nfs/dbraw/zinc/03/24/81/770032481.db2.gz HPANESPBDNPSBN-ZIAGYGMSSA-N 1 3 310.446 0.445 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCn1cncn1)N(C)C ZINC001154000707 770032492 /nfs/dbraw/zinc/03/24/92/770032492.db2.gz HPANESPBDNPSBN-ZIAGYGMSSA-N 1 3 310.446 0.445 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1cccs1 ZINC001238225401 770107810 /nfs/dbraw/zinc/10/78/10/770107810.db2.gz BQMLALGPHQHTBP-LLVKDONJSA-N 1 3 315.464 0.901 20 0 DCADHO NCCC[NH2+]CCCNC(=S)NCc1ccc2c(c1)OCO2 ZINC001239396790 770216235 /nfs/dbraw/zinc/21/62/35/770216235.db2.gz OVCXHJCVBSUAEM-UHFFFAOYSA-N 1 3 324.450 0.708 20 0 DCADHO Cc1cc(-c2ncnc3c2CCNC3)cnc1N1CC[NH2+]CC1 ZINC001239720654 770228257 /nfs/dbraw/zinc/22/82/57/770228257.db2.gz CTRRCDAZDXYLQF-UHFFFAOYSA-N 1 3 310.405 0.902 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001176971711 770264272 /nfs/dbraw/zinc/26/42/72/770264272.db2.gz FZRGNJOSMXUZMM-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986524 770274300 /nfs/dbraw/zinc/27/43/00/770274300.db2.gz QIPCXQOHSNUAFD-CQSZACIVSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001176987028 770275399 /nfs/dbraw/zinc/27/53/99/770275399.db2.gz ZRVHFIDUSANNHT-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001206653480 770420486 /nfs/dbraw/zinc/42/04/86/770420486.db2.gz GFINZQIHCDVJQE-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226384 770440216 /nfs/dbraw/zinc/44/02/16/770440216.db2.gz KIUXKUBUDPUXPJ-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226384 770440223 /nfs/dbraw/zinc/44/02/23/770440223.db2.gz KIUXKUBUDPUXPJ-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001206654435 770446636 /nfs/dbraw/zinc/44/66/36/770446636.db2.gz XSMSSAHCCHIIAT-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCN(c2cccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)n2)CC1 ZINC001155483134 770519517 /nfs/dbraw/zinc/51/95/17/770519517.db2.gz HLRBVDBSDQJIMN-RBSFLKMASA-N 1 3 317.437 0.480 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001178359109 770731726 /nfs/dbraw/zinc/73/17/26/770731726.db2.gz BUKULCTYRHJPGB-QEJZJMRPSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)[C@@H]1C)N(C)C ZINC001178985701 770922795 /nfs/dbraw/zinc/92/27/95/770922795.db2.gz UYQMOWYNAPOQJN-NZBPQXDJSA-N 1 3 324.469 0.573 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)CCC[NH+](C)C ZINC001179434867 771004590 /nfs/dbraw/zinc/00/45/90/771004590.db2.gz AJIWYIXSULFFAG-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)[C@@H]1C ZINC001179763555 771013205 /nfs/dbraw/zinc/01/32/05/771013205.db2.gz LLBJIFMBSLPAGM-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C ZINC001179763726 771013710 /nfs/dbraw/zinc/01/37/10/771013710.db2.gz PCWSCAGVHGWRJV-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967551 771048767 /nfs/dbraw/zinc/04/87/67/771048767.db2.gz FVWBSEOTHVKBPB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180158578 771072704 /nfs/dbraw/zinc/07/27/04/771072704.db2.gz NJEWQAYMYMAKOS-CYBMUJFWSA-N 1 3 323.441 0.661 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)[C@@H]1C ZINC001180226968 771077735 /nfs/dbraw/zinc/07/77/35/771077735.db2.gz VYKNVSSEJSAJDJ-HOCLYGCPSA-N 1 3 321.469 0.882 20 0 DCADHO C[C@@H](C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C)N1CCCC1 ZINC001180578892 771132082 /nfs/dbraw/zinc/13/20/82/771132082.db2.gz IJXQGEMTBNBDHT-HRCADAONSA-N 1 3 308.470 0.708 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCc2cnn(C(C)(C)C)c2)C1 ZINC001151064991 771356128 /nfs/dbraw/zinc/35/61/28/771356128.db2.gz GSQGTVRSEUDHQO-AWEZNQCLSA-N 1 3 307.442 0.796 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCc2cnn(C(C)(C)C)c2)C1 ZINC001151064991 771356131 /nfs/dbraw/zinc/35/61/31/771356131.db2.gz GSQGTVRSEUDHQO-AWEZNQCLSA-N 1 3 307.442 0.796 20 0 DCADHO CC(C)CN(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001151066710 771360050 /nfs/dbraw/zinc/36/00/50/771360050.db2.gz YCTKUGTYNQJVEK-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CN(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151066710 771360056 /nfs/dbraw/zinc/36/00/56/771360056.db2.gz YCTKUGTYNQJVEK-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCC(O)(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001182035800 771392124 /nfs/dbraw/zinc/39/21/24/771392124.db2.gz FPBWGTZALCXTRQ-CQSZACIVSA-N 1 3 309.454 0.966 20 0 DCADHO CN1CCC(O)(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001182035800 771392129 /nfs/dbraw/zinc/39/21/29/771392129.db2.gz FPBWGTZALCXTRQ-CQSZACIVSA-N 1 3 309.454 0.966 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182472576 771497426 /nfs/dbraw/zinc/49/74/26/771497426.db2.gz FEZVYDGQXKDLQV-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182472576 771497427 /nfs/dbraw/zinc/49/74/27/771497427.db2.gz FEZVYDGQXKDLQV-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182607329 771521557 /nfs/dbraw/zinc/52/15/57/771521557.db2.gz GIGUEFHQGBTPOW-CKEIUWERSA-N 1 3 324.469 0.291 20 0 DCADHO COC(=O)c1ccc(NC(=N)NCCCC[NH3+])nc1C(=O)OC ZINC001157094886 771532885 /nfs/dbraw/zinc/53/28/85/771532885.db2.gz YBQYHZUEAWMKOL-UHFFFAOYSA-N 1 3 323.353 0.330 20 0 DCADHO COc1ccc2c(C(=O)N(CCCC[NH3+])C(=N)N)c[nH]c2n1 ZINC001157099790 771533873 /nfs/dbraw/zinc/53/38/73/771533873.db2.gz WSRIRMBYBGJZPQ-UHFFFAOYSA-N 1 3 304.354 0.646 20 0 DCADHO COc1cc2c(cc1OC)[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001157424053 771607412 /nfs/dbraw/zinc/60/74/12/771607412.db2.gz VCWNFIQLDKWVNJ-OCCSQVGLSA-N 1 3 321.421 0.916 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183437681 771650290 /nfs/dbraw/zinc/65/02/90/771650290.db2.gz ZNUPSSVBHHQYQH-HIFRSBDPSA-N 1 3 312.458 0.288 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(F)(F)CC[C@@H]1CO ZINC001157731042 771660053 /nfs/dbraw/zinc/66/00/53/771660053.db2.gz UTWTZLXLFPGJKH-VXGBXAGGSA-N 1 3 317.380 0.479 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC(F)(F)CC[C@@H]1CO ZINC001157731042 771660054 /nfs/dbraw/zinc/66/00/54/771660054.db2.gz UTWTZLXLFPGJKH-VXGBXAGGSA-N 1 3 317.380 0.479 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576429 771670125 /nfs/dbraw/zinc/67/01/25/771670125.db2.gz MAGKIFYVRLOUCW-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCc2nc(C)no2)C1)N(C)C ZINC001183582385 771670884 /nfs/dbraw/zinc/67/08/84/771670884.db2.gz XBYWOSUGMHRJOY-ZIAGYGMSSA-N 1 3 323.441 0.841 20 0 DCADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C1C=CN=C2N=CC=C21 ZINC001183590484 771672110 /nfs/dbraw/zinc/67/21/10/771672110.db2.gz RKJPQQPAQJOGBR-NWDGAFQWSA-N 1 3 308.345 0.980 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1)N(C)C ZINC001183593428 771672627 /nfs/dbraw/zinc/67/26/27/771672627.db2.gz YJAJGJFJKMLGMF-BPLDGKMQSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197046 771738779 /nfs/dbraw/zinc/73/87/79/771738779.db2.gz RFPGTKDAQQXGHP-CYBMUJFWSA-N 1 3 323.466 0.784 20 0 DCADHO Cc1nc2c([nH]1)CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC2 ZINC001158348338 771762387 /nfs/dbraw/zinc/76/23/87/771762387.db2.gz QTRXOBWWIQEZPI-ZDUSSCGKSA-N 1 3 307.442 0.705 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578672 771801460 /nfs/dbraw/zinc/80/14/60/771801460.db2.gz VOUVMZDBOYAZKN-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNCc1cn(C)nn1 ZINC001185087186 771859438 /nfs/dbraw/zinc/85/94/38/771859438.db2.gz WFHSYXAPXAAONR-UONOGXRCSA-N 1 3 322.457 0.341 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001185229746 771882321 /nfs/dbraw/zinc/88/23/21/771882321.db2.gz GQSCIWGNGMCLGL-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCN(c2cccc(NCCOCCOCC[NH3+])n2)CC1 ZINC001159445930 771912025 /nfs/dbraw/zinc/91/20/25/771912025.db2.gz ZWUQRPMWFSZCHO-UHFFFAOYSA-N 1 3 323.441 0.237 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCc2cccc(C(N)=O)c2)C1 ZINC001185408696 771916921 /nfs/dbraw/zinc/91/69/21/771916921.db2.gz WHEBMAWLGJPMKK-OAHLLOKOSA-N 1 3 318.421 0.428 20 0 DCADHO C[C@@H](Nc1nccc(N2CCC([NH3+])CC2)n1)[C@H]1CNCCO1 ZINC001159496647 771919230 /nfs/dbraw/zinc/91/92/30/771919230.db2.gz DUBSGUFLWJGCBL-DGCLKSJQSA-N 1 3 306.414 0.193 20 0 DCADHO C[C@@H](Nc1ccc(OC2CC[NH2+]CC2)nn1)[C@@H]1CNCCO1 ZINC001159502763 771920976 /nfs/dbraw/zinc/92/09/76/771920976.db2.gz OMXXXMWAIVWSHY-YPMHNXCESA-N 1 3 307.398 0.396 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001185536241 771931610 /nfs/dbraw/zinc/93/16/10/771931610.db2.gz MDEOIHGXOKIJHU-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659888 771941312 /nfs/dbraw/zinc/94/13/12/771941312.db2.gz RVFCDNURHBGPKJ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659888 771941314 /nfs/dbraw/zinc/94/13/14/771941314.db2.gz RVFCDNURHBGPKJ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(=O)N(C)C ZINC001185676459 771947106 /nfs/dbraw/zinc/94/71/06/771947106.db2.gz XULGMDJGBRBQOD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)CC(C)(C)C ZINC001185724424 771949855 /nfs/dbraw/zinc/94/98/55/771949855.db2.gz YZESUQXHVRWLDK-CQSZACIVSA-N 1 3 315.458 0.164 20 0 DCADHO C[C@@H](COCC(=O)N1CC[C@@H](NCCF)C1)[NH+]1CCCC1 ZINC001185742444 771951980 /nfs/dbraw/zinc/95/19/80/771951980.db2.gz LIZUMSHIMMBQPE-UONOGXRCSA-N 1 3 301.406 0.647 20 0 DCADHO CN(C)c1cc(C(F)(F)N[C@H](N)CCC[NH3+])nc(Cl)n1 ZINC001159790001 771958738 /nfs/dbraw/zinc/95/87/38/771958738.db2.gz ZMEHTNAZJAUEBA-QMMMGPOBSA-N 1 3 308.764 0.859 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCOCC(F)F)CCC1 ZINC001159854663 771968231 /nfs/dbraw/zinc/96/82/31/771968231.db2.gz QEJCKSPHNWVSGP-UHFFFAOYSA-N 1 3 307.385 0.848 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1)C1CC1 ZINC001159932381 771980056 /nfs/dbraw/zinc/98/00/56/771980056.db2.gz PZPCGAHPSQPBBB-CZUORRHYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997828 771986418 /nfs/dbraw/zinc/98/64/18/771986418.db2.gz ZOVWGFDAWLCIHA-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997492 771986635 /nfs/dbraw/zinc/98/66/35/771986635.db2.gz OUHVXGKMCORTIO-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001160192421 772007287 /nfs/dbraw/zinc/00/72/87/772007287.db2.gz XIXFYRVWQSUFBT-GUIRCDHDSA-N 1 3 322.453 0.206 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160267083 772016006 /nfs/dbraw/zinc/01/60/06/772016006.db2.gz KIUWHOMJBHVKSN-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160267083 772016011 /nfs/dbraw/zinc/01/60/11/772016011.db2.gz KIUWHOMJBHVKSN-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO NCc1cc(-c2ccncc2)nn1-c1ncnc2c1CC[NH2+]CC2 ZINC001160337330 772026841 /nfs/dbraw/zinc/02/68/41/772026841.db2.gz AARJGVDILWBZDS-UHFFFAOYSA-N 1 3 321.388 0.871 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160425957 772035719 /nfs/dbraw/zinc/03/57/19/772035719.db2.gz BGSUKUASYXQALG-HNNXBMFYSA-N 1 3 307.442 0.967 20 0 DCADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001186405232 772039230 /nfs/dbraw/zinc/03/92/30/772039230.db2.gz RZKLOQRGBHOZBJ-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001160449018 772041922 /nfs/dbraw/zinc/04/19/22/772041922.db2.gz TTYPAQIEKWFBKQ-UONOGXRCSA-N 1 3 310.442 0.304 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H](C[NH2+]CCF)C2(C1)CCOCC2 ZINC001186511433 772049735 /nfs/dbraw/zinc/04/97/35/772049735.db2.gz DNLBYAHMDVUBLY-ZDUSSCGKSA-N 1 3 324.400 0.767 20 0 DCADHO O=C(N1CCO[C@@H](c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160530016 772058930 /nfs/dbraw/zinc/05/89/30/772058930.db2.gz DPHWDDKIURDBKI-JFIYKMOQSA-N 1 3 315.417 0.786 20 0 DCADHO N[C@H](C(=O)N1CCC(C(=O)C(F)(F)F)CC1)C1CC[NH2+]CC1 ZINC001160548220 772062419 /nfs/dbraw/zinc/06/24/19/772062419.db2.gz ANYYFCNIEORERX-NSHDSACASA-N 1 3 321.343 0.683 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)C[C@H]1O ZINC001160656589 772089574 /nfs/dbraw/zinc/08/95/74/772089574.db2.gz ZFGIWERXZPCWDA-LVQVYYBASA-N 1 3 303.406 0.790 20 0 DCADHO O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CCN2CCC1CC2 ZINC001160726148 772103474 /nfs/dbraw/zinc/10/34/74/772103474.db2.gz JPYARHKYHDDSTG-GOEBONIOSA-N 1 3 306.454 0.367 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N(CC)C1CC1)N(C)C ZINC001160890228 772133519 /nfs/dbraw/zinc/13/35/19/772133519.db2.gz ZGTDFXNMJDQJQD-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)[C@H](N)Cc3c[nH]cn3)CC2)CC1 ZINC001160992037 772146451 /nfs/dbraw/zinc/14/64/51/772146451.db2.gz HJJNRQSBVDZTIH-CQSZACIVSA-N 1 3 305.426 0.614 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)[C@H](N)Cc3cnc[nH]3)CC2)CC1 ZINC001160992037 772146453 /nfs/dbraw/zinc/14/64/53/772146453.db2.gz HJJNRQSBVDZTIH-CQSZACIVSA-N 1 3 305.426 0.614 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231569 772150064 /nfs/dbraw/zinc/15/00/64/772150064.db2.gz PFBUIRVYMMXRJA-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN(CCN(C)C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)Cc1ccccc1 ZINC001161161441 772178985 /nfs/dbraw/zinc/17/89/85/772178985.db2.gz TVOXODHOIOSICD-SJLPKXTDSA-N 1 3 316.449 0.528 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001161226290 772187015 /nfs/dbraw/zinc/18/70/15/772187015.db2.gz BJTDHXBJGWJMMR-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246757 772190056 /nfs/dbraw/zinc/19/00/56/772190056.db2.gz ONDROBYIYDIHAW-HOCLYGCPSA-N 1 3 309.385 0.691 20 0 DCADHO Cc1cnccc1O[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161387891 772215937 /nfs/dbraw/zinc/21/59/37/772215937.db2.gz UUQLVBHEVSBGDP-KGLIPLIRSA-N 1 3 316.405 0.179 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106814 772267210 /nfs/dbraw/zinc/26/72/10/772267210.db2.gz XKEPKBSASPCCKE-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001188125478 772270175 /nfs/dbraw/zinc/27/01/75/772270175.db2.gz LUNCXXGDESJYFI-OAHLLOKOSA-N 1 3 305.422 0.935 20 0 DCADHO CC[C@@H](C(=O)NCC1(COC)CC[NH+](CCO)CC1)N(C)C ZINC001162487522 772379621 /nfs/dbraw/zinc/37/96/21/772379621.db2.gz HAYNVSAGPHRMAP-AWEZNQCLSA-N 1 3 315.458 0.164 20 0 DCADHO CN1CCOc2c1cnnc2N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163309566 772504139 /nfs/dbraw/zinc/50/41/39/772504139.db2.gz IISPSKMFOFCSJT-ABAIWWIYSA-N 1 3 305.382 0.628 20 0 DCADHO [NH3+]CCN(CCO)c1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001163836577 772580228 /nfs/dbraw/zinc/58/02/28/772580228.db2.gz VIXZLTXTHYSBAA-HNNXBMFYSA-N 1 3 304.394 0.358 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001190363252 772622062 /nfs/dbraw/zinc/62/20/62/772622062.db2.gz FVZOQJARIFVXDY-RRFJBIMHSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001190363252 772622063 /nfs/dbraw/zinc/62/20/63/772622063.db2.gz FVZOQJARIFVXDY-RRFJBIMHSA-N 1 3 322.453 0.138 20 0 DCADHO COc1cc(CNCCCNC(=O)CC[NH+](C)C)sn1 ZINC001165794086 772763352 /nfs/dbraw/zinc/76/33/52/772763352.db2.gz LCJXAZBLFQHSGC-UHFFFAOYSA-N 1 3 300.428 0.699 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001166010177 772778369 /nfs/dbraw/zinc/77/83/69/772778369.db2.gz JPJBYCKIXRMUQS-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C1CC1 ZINC001166626167 772830142 /nfs/dbraw/zinc/83/01/42/772830142.db2.gz BWUOORDDKYVLKB-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCOCC(F)F ZINC001166627052 772830437 /nfs/dbraw/zinc/83/04/37/772830437.db2.gz OSWNPSCSSYIMMU-GFCCVEGCSA-N 1 3 307.385 0.848 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001166677589 772838245 /nfs/dbraw/zinc/83/82/45/772838245.db2.gz KMFGTKKBVAKORN-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678860 772839321 /nfs/dbraw/zinc/83/93/21/772839321.db2.gz WXCJVIDECRZMGU-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)CN2CC[C@H](C)C2)C1=O ZINC001166678111 772839523 /nfs/dbraw/zinc/83/95/23/772839523.db2.gz SCAPDWSJODKPLJ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO COc1cc(CNCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)on1 ZINC001166678896 772840102 /nfs/dbraw/zinc/84/01/02/772840102.db2.gz YKCLCWFFKMSWEX-LBPRGKRZSA-N 1 3 310.398 0.621 20 0 DCADHO COc1cc(CNCCCNC(=O)C[N@H+]2CC[C@H](C)C2)on1 ZINC001166678896 772840103 /nfs/dbraw/zinc/84/01/03/772840103.db2.gz YKCLCWFFKMSWEX-LBPRGKRZSA-N 1 3 310.398 0.621 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744147 772854925 /nfs/dbraw/zinc/85/49/25/772854925.db2.gz JYSYKJBMWSVNNN-UHFFFAOYSA-N 1 3 314.474 0.585 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001166765087 772858167 /nfs/dbraw/zinc/85/81/67/772858167.db2.gz QVHDECOLUGPJLV-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO COC(=O)C1(Nc2cnccc2N2CCOCC2)CC[NH2+]CC1 ZINC001166954342 772888724 /nfs/dbraw/zinc/88/87/24/772888724.db2.gz JNLZFZVGTPEQCU-UHFFFAOYSA-N 1 3 320.393 0.625 20 0 DCADHO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001205230996 772984503 /nfs/dbraw/zinc/98/45/03/772984503.db2.gz VASYHXKMCCZYPO-OAHLLOKOSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001205230996 772984505 /nfs/dbraw/zinc/98/45/05/772984505.db2.gz VASYHXKMCCZYPO-OAHLLOKOSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001205230996 772984508 /nfs/dbraw/zinc/98/45/08/772984508.db2.gz VASYHXKMCCZYPO-OAHLLOKOSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001205230996 772984512 /nfs/dbraw/zinc/98/45/12/772984512.db2.gz VASYHXKMCCZYPO-OAHLLOKOSA-N 1 3 302.382 0.542 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001205490386 772995906 /nfs/dbraw/zinc/99/59/06/772995906.db2.gz DAKSOYIPBBEFPL-JSGCOSHPSA-N 1 3 312.458 0.275 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193015898 772995971 /nfs/dbraw/zinc/99/59/71/772995971.db2.gz NSCDBSCJSRNQFS-GVDBMIGSSA-N 1 3 323.481 0.926 20 0 DCADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001206152020 773051058 /nfs/dbraw/zinc/05/10/58/773051058.db2.gz ABBOAVPOPUOPIL-LBPRGKRZSA-N 1 3 322.457 0.954 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928635 773137406 /nfs/dbraw/zinc/13/74/06/773137406.db2.gz CSOJYPNWPSPXAD-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO c1ncc(O[C@@H]2C[C@@H]3CN(CC4CC[NH2+]CC4)CCN3C2)cn1 ZINC001207435349 773205714 /nfs/dbraw/zinc/20/57/14/773205714.db2.gz MCSBQNSWWWCOCC-HZPDHXFCSA-N 1 3 317.437 0.614 20 0 DCADHO c1cnc(N2CCN(C3CN(CC4CC[NH2+]CC4)C3)CC2)nc1 ZINC001207436495 773206158 /nfs/dbraw/zinc/20/61/58/773206158.db2.gz KOYUKHMGDXVDGP-UHFFFAOYSA-N 1 3 316.453 0.282 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688970 773270995 /nfs/dbraw/zinc/27/09/95/773270995.db2.gz UTEZKSVXBBHANO-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208015166 773374444 /nfs/dbraw/zinc/37/44/44/773374444.db2.gz ZWGXGJUFDFCJBQ-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208015166 773374451 /nfs/dbraw/zinc/37/44/51/773374451.db2.gz ZWGXGJUFDFCJBQ-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001195701162 773464507 /nfs/dbraw/zinc/46/45/07/773464507.db2.gz KEWZFAGHIAXIHN-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708150 773466228 /nfs/dbraw/zinc/46/62/28/773466228.db2.gz FVERVRBJRHHNEN-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001208454523 773466563 /nfs/dbraw/zinc/46/65/63/773466563.db2.gz XFJIKDQEBFGNCR-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001208454523 773466566 /nfs/dbraw/zinc/46/65/66/773466566.db2.gz XFJIKDQEBFGNCR-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209241810 773573762 /nfs/dbraw/zinc/57/37/62/773573762.db2.gz FJXAIWCUIWYBDM-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209241810 773573764 /nfs/dbraw/zinc/57/37/64/773573764.db2.gz FJXAIWCUIWYBDM-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209302967 773587442 /nfs/dbraw/zinc/58/74/42/773587442.db2.gz IAKMVLQOELCFJA-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001209634013 773627595 /nfs/dbraw/zinc/62/75/95/773627595.db2.gz ZFWYPZJMUSQJLD-DZGCQCFKSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCN(C[C@@H]2CCc3ncnn32)CC1 ZINC001197048299 773682293 /nfs/dbraw/zinc/68/22/93/773682293.db2.gz DBXAFKRONIUDBZ-AWEZNQCLSA-N 1 3 320.441 0.251 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001210494325 773713640 /nfs/dbraw/zinc/71/36/40/773713640.db2.gz USWAPSOALRJAND-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001210494325 773713646 /nfs/dbraw/zinc/71/36/46/773713646.db2.gz USWAPSOALRJAND-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210673924 773729128 /nfs/dbraw/zinc/72/91/28/773729128.db2.gz JTCYBCMNFGWTNF-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001210788672 773739042 /nfs/dbraw/zinc/73/90/42/773739042.db2.gz HIPWRTHYWGBMQI-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340163 773761222 /nfs/dbraw/zinc/76/12/22/773761222.db2.gz HZYGPFTYBMRIMS-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211065013 773765397 /nfs/dbraw/zinc/76/53/97/773765397.db2.gz RJOXOWNIKDOORS-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065013 773765404 /nfs/dbraw/zinc/76/54/04/773765404.db2.gz RJOXOWNIKDOORS-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262346 773787172 /nfs/dbraw/zinc/78/71/72/773787172.db2.gz PAOVIUSAHSOTLJ-HOCLYGCPSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001211269691 773788711 /nfs/dbraw/zinc/78/87/11/773788711.db2.gz UEJWGZJHAHDKHT-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214947653 774028766 /nfs/dbraw/zinc/02/87/66/774028766.db2.gz CMSDRIYOEPPKPL-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@@H](O)COc1ccccc1C#N ZINC000402192814 774077699 /nfs/dbraw/zinc/07/76/99/774077699.db2.gz BVUGFXCNUKTGHM-MRXNPFEDSA-N 1 3 318.421 0.135 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnccc1N1CCCC1 ZINC001199372171 774099145 /nfs/dbraw/zinc/09/91/45/774099145.db2.gz MOBRTMURLADLBK-UHFFFAOYSA-N 1 3 304.398 0.756 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216469422 774118313 /nfs/dbraw/zinc/11/83/13/774118313.db2.gz QRWAWXRJKLWCSN-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001216503328 774120793 /nfs/dbraw/zinc/12/07/93/774120793.db2.gz OYYVUFIHDUUAMT-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001216852393 774143626 /nfs/dbraw/zinc/14/36/26/774143626.db2.gz XUJUGXGQSSMLLL-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO F[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001217945520 774207491 /nfs/dbraw/zinc/20/74/91/774207491.db2.gz DJBDJOVQZSUZAI-YPMHNXCESA-N 1 3 305.357 0.844 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CCC23CC[NH2+]CC3)cc1 ZINC001218079338 774211884 /nfs/dbraw/zinc/21/18/84/774211884.db2.gz FYHQWSVNGADQGU-LSDHHAIUSA-N 1 3 303.406 0.953 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199826361 774219240 /nfs/dbraw/zinc/21/92/40/774219240.db2.gz JZOHAJIDJSHPKS-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CC[C@@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)C[NH2+]1 ZINC001218409808 774224093 /nfs/dbraw/zinc/22/40/93/774224093.db2.gz WEQGQKSRIYYCLS-BNOWGMLFSA-N 1 3 321.421 0.870 20 0 DCADHO COc1ccc2[nH]c(NC(=O)[C@H](N)C3CC[NH2+]CC3)nc2c1 ZINC001218520624 774235346 /nfs/dbraw/zinc/23/53/46/774235346.db2.gz FUJBKICGTYNRQU-CYBMUJFWSA-N 1 3 303.366 0.837 20 0 DCADHO CCOC(=O)c1ncn2c1cccc2NC(=O)[C@@H](N)CCC[NH3+] ZINC001218531200 774239154 /nfs/dbraw/zinc/23/91/54/774239154.db2.gz LPQGLOHEGLWBIX-JTQLQIEISA-N 1 3 319.365 0.516 20 0 DCADHO O=C(Nc1cnc2ccc(Cl)nn12)[C@H]1C[NH2+]CC12CNC2 ZINC001218567386 774249597 /nfs/dbraw/zinc/24/95/97/774249597.db2.gz DXDKGBMGOXLVNW-MRVPVSSYSA-N 1 3 306.757 0.130 20 0 DCADHO N[C@H](C(=O)Nc1cncnc1Br)C1CC[NH2+]CC1 ZINC001218571480 774251704 /nfs/dbraw/zinc/25/17/04/774251704.db2.gz ZQOJNKRQLWTXBZ-VIFPVBQESA-N 1 3 314.187 0.505 20 0 DCADHO N[C@@H](C(=O)Nc1nc(Cl)nc2[nH]cnc21)C1CC[NH2+]CC1 ZINC001218589483 774257121 /nfs/dbraw/zinc/25/71/21/774257121.db2.gz SNNSMYCRSNYDGX-SSDOTTSWSA-N 1 3 309.761 0.272 20 0 DCADHO [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ncc([O-])cc1Br ZINC001218701152 774283089 /nfs/dbraw/zinc/28/30/89/774283089.db2.gz PZPJHNNTOCZWRH-MRVPVSSYSA-N 1 3 303.160 0.554 20 0 DCADHO [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ncc([O-])cc1Br ZINC001218700201 774283160 /nfs/dbraw/zinc/28/31/60/774283160.db2.gz GECCRZKZYIWBLV-VIFPVBQESA-N 1 3 317.187 0.945 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001218712158 774286769 /nfs/dbraw/zinc/28/67/69/774286769.db2.gz MWYWZBOKGVKCJU-XKAARJIMSA-N 1 3 306.366 0.947 20 0 DCADHO Nc1cnc(N(C(=O)[C@@H]2C[NH2+]CC23CNC3)C2CCCC2)nc1 ZINC001218747940 774296033 /nfs/dbraw/zinc/29/60/33/774296033.db2.gz ITVHSMJUEARKGO-ZDUSSCGKSA-N 1 3 316.409 0.143 20 0 DCADHO O=C(Nc1ccnc(OC(F)(F)F)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218754481 774297774 /nfs/dbraw/zinc/29/77/74/774297774.db2.gz PWLOITXPTKWFRS-SECBINFHSA-N 1 3 316.283 0.728 20 0 DCADHO COc1cccc2ncnc(NC(=O)[C@H]3C[NH2+]CC34CNC4)c21 ZINC001218787826 774301537 /nfs/dbraw/zinc/30/15/37/774301537.db2.gz HNVIGYHRNQAGOG-SNVBAGLBSA-N 1 3 313.361 0.386 20 0 DCADHO CCc1c(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(C(N)=O)nn1C ZINC001218787817 774302212 /nfs/dbraw/zinc/30/22/12/774302212.db2.gz HLXRVNRXEGWJJA-JTQLQIEISA-N 1 3 324.429 0.079 20 0 DCADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H](O)C[NH3+])cc2)CC1 ZINC001218846507 774313590 /nfs/dbraw/zinc/31/35/90/774313590.db2.gz XKLCUBGEVBYPBU-MRXNPFEDSA-N 1 3 320.437 0.472 20 0 DCADHO CN(C)C(=O)Cc1ccccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218954363 774335824 /nfs/dbraw/zinc/33/58/24/774335824.db2.gz KZKJJNUMUAKELO-INIZCTEOSA-N 1 3 318.421 0.583 20 0 DCADHO O[C@@H]1CCCN(CCNC(=S)NCC[NH+]2CCCCC2)C1 ZINC001200440212 774341923 /nfs/dbraw/zinc/34/19/23/774341923.db2.gz LKUGYZBTYXNGAP-CQSZACIVSA-N 1 3 314.499 0.393 20 0 DCADHO O=C(Nc1cccc2c1CNC2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001218994805 774343922 /nfs/dbraw/zinc/34/39/22/774343922.db2.gz PDUJKQREBJEGDM-ZDUSSCGKSA-N 1 3 314.389 0.344 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001219029996 774350044 /nfs/dbraw/zinc/35/00/44/774350044.db2.gz YFYMEHFOOTXWKA-PEYYIBSZSA-N 1 3 317.389 0.732 20 0 DCADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCF)C1)N(C)C ZINC001200795257 774409564 /nfs/dbraw/zinc/40/95/64/774409564.db2.gz HZWXHCRPLIYGRB-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC001219233577 774417732 /nfs/dbraw/zinc/41/77/32/774417732.db2.gz RRCUIZYLIIASFG-BBRMVZONSA-N 1 3 318.421 0.931 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1)C1CC1 ZINC001201052507 774445309 /nfs/dbraw/zinc/44/53/09/774445309.db2.gz GFBUUHDRTLQPHR-MRXNPFEDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(=O)N(C)C ZINC001201051970 774445397 /nfs/dbraw/zinc/44/53/97/774445397.db2.gz BUOMGAOGDVVKPG-WFASDCNBSA-N 1 3 324.469 0.384 20 0 DCADHO COC(=O)c1nn(C)c2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc21 ZINC001219364262 774464610 /nfs/dbraw/zinc/46/46/10/774464610.db2.gz DPODUTPZHHQDDE-NSHDSACASA-N 1 3 319.365 0.365 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)N(C)C2CC2)CC1)N(C)C ZINC001201240559 774469906 /nfs/dbraw/zinc/46/99/06/774469906.db2.gz WNDFQALBQPQZJW-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(Nc1c(F)cccc1OC1COC1)[C@H]1C[NH2+]CC12CNC2 ZINC001219382405 774472593 /nfs/dbraw/zinc/47/25/93/774472593.db2.gz PUHOQUKMAHDYND-LLVKDONJSA-N 1 3 321.352 0.351 20 0 DCADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001219386867 774474070 /nfs/dbraw/zinc/47/40/70/774474070.db2.gz URQBBEQNZNASBM-GFCCVEGCSA-N 1 3 317.349 0.053 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCCO[C@@H](CNCCF)C2)CC1 ZINC001201568418 774525559 /nfs/dbraw/zinc/52/55/59/774525559.db2.gz FYLBPGPFHUGDIF-HNNXBMFYSA-N 1 3 315.433 0.895 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)OC)C1 ZINC001201679308 774537057 /nfs/dbraw/zinc/53/70/57/774537057.db2.gz VLLRKINLXYLEKB-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CNCc2ccnn2C1 ZINC001219608337 774555156 /nfs/dbraw/zinc/55/51/56/774555156.db2.gz VQADLTYCNUDLIP-JOYOIKCWSA-N 1 3 317.315 0.013 20 0 DCADHO NC1(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)Cc2ccccc2C1 ZINC001219610496 774555916 /nfs/dbraw/zinc/55/59/16/774555916.db2.gz OQZYXTQDUQDWNY-CQSZACIVSA-N 1 3 313.323 0.893 20 0 DCADHO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1[nH]nc2c1CCNC2 ZINC001219615560 774558057 /nfs/dbraw/zinc/55/80/57/774558057.db2.gz AJORLCVXUKANOP-NSHDSACASA-N 1 3 303.288 0.080 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC001219636193 774568327 /nfs/dbraw/zinc/56/83/27/774568327.db2.gz WWKRPYGOHRMXDL-YDHLFZDLSA-N 1 3 309.385 0.771 20 0 DCADHO CN[C@@H](CCCC[NH3+])C(=O)n1c(N)nc(=O)c2ccccc21 ZINC001219718346 774591083 /nfs/dbraw/zinc/59/10/83/774591083.db2.gz NFKKOJQROVPKSJ-NSHDSACASA-N 1 3 303.366 0.579 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@@H]1O ZINC001219724714 774591581 /nfs/dbraw/zinc/59/15/81/774591581.db2.gz YGYMAARWTQSZOI-ZNMIVQPWSA-N 1 3 317.449 0.874 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@@H]1O ZINC001219724714 774591578 /nfs/dbraw/zinc/59/15/78/774591578.db2.gz YGYMAARWTQSZOI-ZNMIVQPWSA-N 1 3 317.449 0.874 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)NC[C@@]2(F)CCC[NH2+]C2)c1 ZINC001219769152 774601940 /nfs/dbraw/zinc/60/19/40/774601940.db2.gz SZWLYXWHDMLYFI-GOEBONIOSA-N 1 3 309.385 0.773 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219784910 774606163 /nfs/dbraw/zinc/60/61/63/774606163.db2.gz UUJZKDLFBPQGJT-SWLSCSKDSA-N 1 3 316.409 0.007 20 0 DCADHO N[C@H](Cc1cccc(O)c1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799827 774611848 /nfs/dbraw/zinc/61/18/48/774611848.db2.gz DJGZZCBNGKZRRQ-UKRRQHHQSA-N 1 3 319.405 0.147 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202207485 774615159 /nfs/dbraw/zinc/61/51/59/774615159.db2.gz SUBHODCXXJRXSA-UHFFFAOYSA-N 1 3 319.453 0.843 20 0 DCADHO COc1ccc(O[C@H](C)CNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001219945782 774654020 /nfs/dbraw/zinc/65/40/20/774654020.db2.gz SQFDIAOYVRDFEF-IUODEOHRSA-N 1 3 319.405 0.388 20 0 DCADHO [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001220270952 774752013 /nfs/dbraw/zinc/75/20/13/774752013.db2.gz NLVVZMMGKQQMOG-ZDUSSCGKSA-N 1 3 317.397 0.329 20 0 DCADHO [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001220270952 774752018 /nfs/dbraw/zinc/75/20/18/774752018.db2.gz NLVVZMMGKQQMOG-ZDUSSCGKSA-N 1 3 317.397 0.329 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220286600 774758969 /nfs/dbraw/zinc/75/89/69/774758969.db2.gz MFQOECJGFLSENK-ZDUSSCGKSA-N 1 3 310.373 0.128 20 0 DCADHO N[C@H](C(=O)NCc1cc(F)cc2c1OCOC2)C1CC[NH2+]CC1 ZINC001220294088 774761884 /nfs/dbraw/zinc/76/18/84/774761884.db2.gz FMJBOPZFGSXBLO-AWEZNQCLSA-N 1 3 323.368 0.635 20 0 DCADHO N[C@@H](C(=O)NC[C@@H](CO)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001220406976 774799238 /nfs/dbraw/zinc/79/92/38/774799238.db2.gz ZNNHVDNEWAQBQJ-GOEBONIOSA-N 1 3 305.422 0.281 20 0 DCADHO Cc1ccc(CSC[C@H](N)C(=O)NCCN(C)CC[NH3+])cc1 ZINC001220517264 774831624 /nfs/dbraw/zinc/83/16/24/774831624.db2.gz DFECGJMGLRFQGX-HNNXBMFYSA-N 1 3 324.494 0.562 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ncc(F)cn1 ZINC001220599064 774860394 /nfs/dbraw/zinc/86/03/94/774860394.db2.gz KYSKWZAPJTYJCU-PWSUYJOCSA-N 1 3 307.373 0.667 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ncc(F)cn1 ZINC001220599064 774860401 /nfs/dbraw/zinc/86/04/01/774860401.db2.gz KYSKWZAPJTYJCU-PWSUYJOCSA-N 1 3 307.373 0.667 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC001220727363 774903582 /nfs/dbraw/zinc/90/35/82/774903582.db2.gz DJOQNXWNPUWQJX-DZKIICNBSA-N 1 3 318.421 0.579 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[C@@H](F)CCN1 ZINC001220789091 774916644 /nfs/dbraw/zinc/91/66/44/774916644.db2.gz JDQBKTFNVFBVOT-ZQDZILKHSA-N 1 3 306.385 0.939 20 0 DCADHO CCOc1cc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)ccc1O ZINC001220816482 774922910 /nfs/dbraw/zinc/92/29/10/774922910.db2.gz ONDVJHVCEHVBAL-GFCCVEGCSA-N 1 3 305.378 0.216 20 0 DCADHO COC(=O)C[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccccn1 ZINC001220900279 774947529 /nfs/dbraw/zinc/94/75/29/774947529.db2.gz GBIPDPRYCRBTBO-HIFRSBDPSA-N 1 3 320.393 0.129 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220936573 774957301 /nfs/dbraw/zinc/95/73/01/774957301.db2.gz HJNHYJTWYXWPEJ-HOTGVXAUSA-N 1 3 321.421 0.450 20 0 DCADHO CCCC[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001202668673 774984822 /nfs/dbraw/zinc/98/48/22/774984822.db2.gz UGRGFIDIFBRBKT-CQSZACIVSA-N 1 3 321.425 0.577 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001221062859 774987445 /nfs/dbraw/zinc/98/74/45/774987445.db2.gz CTLUMHOOGZWNDC-JYJNAYRXSA-N 1 3 303.406 0.348 20 0 DCADHO COc1cccnc1[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001221215346 775029842 /nfs/dbraw/zinc/02/98/42/775029842.db2.gz PSZJVVQRWPMUIX-AAEUAGOBSA-N 1 3 324.450 0.677 20 0 DCADHO N[C@@H](C(=O)NCC[C@H]1COc2ccccc2O1)C1CC[NH2+]CC1 ZINC001221295331 775057642 /nfs/dbraw/zinc/05/76/42/775057642.db2.gz GAJQUFXQOZOVSY-XJKSGUPXSA-N 1 3 319.405 0.660 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001221383791 775081442 /nfs/dbraw/zinc/08/14/42/775081442.db2.gz AJSBDZRQENPEDD-VIFPVBQESA-N 1 3 310.379 0.169 20 0 DCADHO CO[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221391136 775083691 /nfs/dbraw/zinc/08/36/91/775083691.db2.gz BKKHMXHGLJEWGR-GOEBONIOSA-N 1 3 320.437 0.322 20 0 DCADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001221393372 775084768 /nfs/dbraw/zinc/08/47/68/775084768.db2.gz XCTMGLJEURMVPC-CQSZACIVSA-N 1 3 306.410 0.113 20 0 DCADHO CO[C@H](C)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946929 775233645 /nfs/dbraw/zinc/23/36/45/775233645.db2.gz JMMRXKRQDPCDKE-RBSFLKMASA-N 1 3 313.442 0.132 20 0 DCADHO c1cc2c(cc1CN1CCNC3(CC[NH2+]CC3)C1)OCCO2 ZINC001222094466 775268889 /nfs/dbraw/zinc/26/88/89/775268889.db2.gz GOWRFXBMFPHEGH-UHFFFAOYSA-N 1 3 303.406 0.985 20 0 DCADHO O=C1NCC[C@@]12CN(Cc1cccc3c1CCN3)CC21C[NH2+]C1 ZINC001222527969 775378062 /nfs/dbraw/zinc/37/80/62/775378062.db2.gz RVTPEGDWLFXRQU-GOSISDBHSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@@]12C[N@H+](Cc1cccc3c1CCN3)CC21CNC1 ZINC001222527969 775378075 /nfs/dbraw/zinc/37/80/75/775378075.db2.gz RVTPEGDWLFXRQU-GOSISDBHSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@@]12C[N@@H+](Cc1cccc3c1CCN3)CC21CNC1 ZINC001222527969 775378087 /nfs/dbraw/zinc/37/80/87/775378087.db2.gz RVTPEGDWLFXRQU-GOSISDBHSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@]12C[N@H+](Cc1ccc3c(c1)NCC3)CC21CNC1 ZINC001222527223 775379107 /nfs/dbraw/zinc/37/91/07/775379107.db2.gz KEGBFLQZWAXTIO-SFHVURJKSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@]12C[N@@H+](Cc1ccc3c(c1)NCC3)CC21CNC1 ZINC001222527223 775379116 /nfs/dbraw/zinc/37/91/16/775379116.db2.gz KEGBFLQZWAXTIO-SFHVURJKSA-N 1 3 312.417 0.566 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222668428 775411412 /nfs/dbraw/zinc/41/14/12/775411412.db2.gz KKWDICLTPYAJEZ-QLFBSQMISA-N 1 3 316.440 0.895 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222668428 775411415 /nfs/dbraw/zinc/41/14/15/775411415.db2.gz KKWDICLTPYAJEZ-QLFBSQMISA-N 1 3 316.440 0.895 20 0 DCADHO CC[C@H](C(=O)NCC1CC[NH+](C[C@@H](O)COC)CC1)N(C)C ZINC001223598161 775504315 /nfs/dbraw/zinc/50/43/15/775504315.db2.gz ZPMVOWUNZNOONI-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@@H](O)COC)CC1 ZINC001225245728 775658251 /nfs/dbraw/zinc/65/82/51/775658251.db2.gz XBGPKYXHMMBBNX-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO CO[C@@H](C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277551 775700704 /nfs/dbraw/zinc/70/07/04/775700704.db2.gz XFNZBYPKXVRPGG-YJNKXOJESA-N 1 3 313.442 0.321 20 0 DCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001095812940 775748881 /nfs/dbraw/zinc/74/88/81/775748881.db2.gz VGHACBIAZZZOQS-LTIDMASMSA-N 1 3 321.465 0.965 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001226565286 775836891 /nfs/dbraw/zinc/83/68/91/775836891.db2.gz ZCBLEEXOZMLWCK-JHJVBQTASA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001226766350 775874748 /nfs/dbraw/zinc/87/47/48/775874748.db2.gz MORXUVVXQWXTTC-MGPQQGTHSA-N 1 3 324.469 0.752 20 0 DCADHO CCOCCN1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408450 775971222 /nfs/dbraw/zinc/97/12/22/775971222.db2.gz MPKYUKROVSLGGO-INIZCTEOSA-N 1 3 309.454 0.945 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001229231662 776172027 /nfs/dbraw/zinc/17/20/27/776172027.db2.gz SJVXHCNPONXXAU-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO COCCOCC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230374309 776287735 /nfs/dbraw/zinc/28/77/35/776287735.db2.gz PAKNWJQJASROJH-UHFFFAOYSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041673787 777423992 /nfs/dbraw/zinc/42/39/92/777423992.db2.gz FSUNJDOPNYVFGM-RDJZCZTQSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041673787 777423996 /nfs/dbraw/zinc/42/39/96/777423996.db2.gz FSUNJDOPNYVFGM-RDJZCZTQSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001583560477 1166270273 /nfs/dbraw/zinc/27/02/73/1166270273.db2.gz IJDXVYMOWNAXLE-ISZGNANSSA-N 1 3 310.442 0.211 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001317641651 945136264 /nfs/dbraw/zinc/13/62/64/945136264.db2.gz BFPSBRDNBTVSLC-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001317641651 945136270 /nfs/dbraw/zinc/13/62/70/945136270.db2.gz BFPSBRDNBTVSLC-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1ncoc1C[NH2+]CCN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001317663544 945154240 /nfs/dbraw/zinc/15/42/40/945154240.db2.gz ILDRMZJGTOWYEL-ZDUSSCGKSA-N 1 3 324.425 0.499 20 0 DCADHO Cc1ncoc1CNCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317663544 945154244 /nfs/dbraw/zinc/15/42/44/945154244.db2.gz ILDRMZJGTOWYEL-ZDUSSCGKSA-N 1 3 324.425 0.499 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001278302299 945213052 /nfs/dbraw/zinc/21/30/52/945213052.db2.gz VNPPJHRNWXHQIW-GXTWGEPZSA-N 1 3 310.398 0.194 20 0 DCADHO OCCOCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397501230 939137547 /nfs/dbraw/zinc/13/75/47/939137547.db2.gz YNNYDJRVVXVTHF-UHFFFAOYSA-N 1 3 308.422 0.612 20 0 DCADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccncc1[O-] ZINC001273080045 945239089 /nfs/dbraw/zinc/23/90/89/945239089.db2.gz LYBXNROHAUSFNC-HUUCEWRRSA-N 1 3 318.421 0.914 20 0 DCADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccncc1[O-] ZINC001273080045 945239096 /nfs/dbraw/zinc/23/90/96/945239096.db2.gz LYBXNROHAUSFNC-HUUCEWRRSA-N 1 3 318.421 0.914 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC)C1 ZINC001267001814 939303314 /nfs/dbraw/zinc/30/33/14/939303314.db2.gz AZUQHTVONZOWEH-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001408577087 939372669 /nfs/dbraw/zinc/37/26/69/939372669.db2.gz IBEPJDIMCXAIQB-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267181461 939374709 /nfs/dbraw/zinc/37/47/09/939374709.db2.gz KBDSEGVPJQDPEB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267181461 939374713 /nfs/dbraw/zinc/37/47/13/939374713.db2.gz KBDSEGVPJQDPEB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@@H](N2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001481107723 939563240 /nfs/dbraw/zinc/56/32/40/939563240.db2.gz HIWLPUTXFZWNKE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NCCN(CCO)C1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001481174217 939595418 /nfs/dbraw/zinc/59/54/18/939595418.db2.gz UOPFINDUCWAJOO-INIZCTEOSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCO)C1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001481174217 939595420 /nfs/dbraw/zinc/59/54/20/939595420.db2.gz UOPFINDUCWAJOO-INIZCTEOSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315228 939742674 /nfs/dbraw/zinc/74/26/74/939742674.db2.gz SXARNQDPARYGAH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481315228 939742675 /nfs/dbraw/zinc/74/26/75/939742675.db2.gz SXARNQDPARYGAH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315227 939742751 /nfs/dbraw/zinc/74/27/51/939742751.db2.gz SXARNQDPARYGAH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481315227 939742753 /nfs/dbraw/zinc/74/27/53/939742753.db2.gz SXARNQDPARYGAH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001481627699 939979874 /nfs/dbraw/zinc/97/98/74/939979874.db2.gz FPQXEGAXULJTDS-DZGCQCFKSA-N 1 3 315.433 0.751 20 0 DCADHO CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C ZINC001409979833 945302705 /nfs/dbraw/zinc/30/27/05/945302705.db2.gz RMRKRROIYBCUHX-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO O[C@@H](CN[C@@H]1CNCc2ccsc21)CC1(O)CC[NH2+]CC1 ZINC001245981269 945304782 /nfs/dbraw/zinc/30/47/82/945304782.db2.gz FWUICCMUSJEGHT-CHWSQXEVSA-N 1 3 311.451 0.348 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCCN(C)C1=O ZINC001482107031 940259488 /nfs/dbraw/zinc/25/94/88/940259488.db2.gz FLOKNWKDUNNSSA-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H](NC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001268589230 940271081 /nfs/dbraw/zinc/27/10/81/940271081.db2.gz UWPRYWHBYKVZQV-AZJURWTESA-N 1 3 324.469 0.455 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1C ZINC001482170126 940291740 /nfs/dbraw/zinc/29/17/40/940291740.db2.gz ZJFNXCQISSIIEZ-GXTWGEPZSA-N 1 3 307.442 0.522 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001482170126 940291742 /nfs/dbraw/zinc/29/17/42/940291742.db2.gz ZJFNXCQISSIIEZ-GXTWGEPZSA-N 1 3 307.442 0.522 20 0 DCADHO COC(=O)[C@@H](O)CN[C@@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001245998766 945310051 /nfs/dbraw/zinc/31/00/51/945310051.db2.gz IISPLNMRMFACEC-LSDHHAIUSA-N 1 3 310.369 0.990 20 0 DCADHO CCOC(=O)N1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246418751 945406924 /nfs/dbraw/zinc/40/69/24/945406924.db2.gz SSEJVOWPLTWSJV-LBPRGKRZSA-N 1 3 300.403 0.180 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338842 941005615 /nfs/dbraw/zinc/00/56/15/941005615.db2.gz KTUFFKFLLYVNCP-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354135 941017910 /nfs/dbraw/zinc/01/79/10/941017910.db2.gz OCMOPRAOASHATC-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482354135 941017914 /nfs/dbraw/zinc/01/79/14/941017914.db2.gz OCMOPRAOASHATC-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001482432189 941218584 /nfs/dbraw/zinc/21/85/84/941218584.db2.gz GGSHCCUXLNSIGT-UKRRQHHQSA-N 1 3 324.425 0.442 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001271721000 941429982 /nfs/dbraw/zinc/42/99/82/941429982.db2.gz JBCXCKRMVGNRAU-CABCVRRESA-N 1 3 322.457 0.302 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001409214919 941585579 /nfs/dbraw/zinc/58/55/79/941585579.db2.gz CTMPNIITVAYMJE-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCOCCO)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482610632 941589882 /nfs/dbraw/zinc/58/98/82/941589882.db2.gz IJTQCPVNCISXSH-UHFFFAOYSA-N 1 3 313.442 0.014 20 0 DCADHO CN(CCOCC(F)F)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272172166 941764318 /nfs/dbraw/zinc/76/43/18/941764318.db2.gz LFSOIRMYDRPTFL-GFCCVEGCSA-N 1 3 307.385 0.610 20 0 DCADHO CN(CCOCC(F)F)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272172166 941764322 /nfs/dbraw/zinc/76/43/22/941764322.db2.gz LFSOIRMYDRPTFL-GFCCVEGCSA-N 1 3 307.385 0.610 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001483098516 941843363 /nfs/dbraw/zinc/84/33/63/941843363.db2.gz RHISTHOGZFDWTQ-OQOSRZTISA-N 1 3 310.442 0.243 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483128851 941879159 /nfs/dbraw/zinc/87/91/59/941879159.db2.gz NETLRWUHEWALMN-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483128851 941879165 /nfs/dbraw/zinc/87/91/65/941879165.db2.gz NETLRWUHEWALMN-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC1CC(CN2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](O)C2)C1 ZINC001083602312 942089535 /nfs/dbraw/zinc/08/95/35/942089535.db2.gz OHVHYQFSJMGXPH-FJBKBRRZSA-N 1 3 321.465 0.822 20 0 DCADHO Cc1nnsc1CNCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001483508883 942396157 /nfs/dbraw/zinc/39/61/57/942396157.db2.gz CXLLQQXHNBEACG-LBPRGKRZSA-N 1 3 311.455 0.736 20 0 DCADHO Cc1nnsc1CNCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483508883 942396160 /nfs/dbraw/zinc/39/61/60/942396160.db2.gz CXLLQQXHNBEACG-LBPRGKRZSA-N 1 3 311.455 0.736 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001127066025 942422673 /nfs/dbraw/zinc/42/26/73/942422673.db2.gz HQDROZJLFPHJOM-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001127066025 942422677 /nfs/dbraw/zinc/42/26/77/942422677.db2.gz HQDROZJLFPHJOM-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127077703 942439651 /nfs/dbraw/zinc/43/96/51/942439651.db2.gz IDFJYKFPMNJSFG-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127077703 942439654 /nfs/dbraw/zinc/43/96/54/942439654.db2.gz IDFJYKFPMNJSFG-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO C[N@@H+]1CC[C@H](NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1(C)C ZINC001413186712 942546869 /nfs/dbraw/zinc/54/68/69/942546869.db2.gz OOJQDWMVKPKNKS-YQQAZPJKSA-N 1 3 311.470 0.675 20 0 DCADHO C[N@H+]1CC[C@H](NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1(C)C ZINC001413186712 942546876 /nfs/dbraw/zinc/54/68/76/942546876.db2.gz OOJQDWMVKPKNKS-YQQAZPJKSA-N 1 3 311.470 0.675 20 0 DCADHO COC(=O)CCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272499448 942787341 /nfs/dbraw/zinc/78/73/41/942787341.db2.gz XBUCUAVMPKBISU-MRXNPFEDSA-N 1 3 311.426 0.426 20 0 DCADHO COC(=O)CCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272499448 942787346 /nfs/dbraw/zinc/78/73/46/942787346.db2.gz XBUCUAVMPKBISU-MRXNPFEDSA-N 1 3 311.426 0.426 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3cc[nH]c3)C2)C1=O ZINC001272647892 942885445 /nfs/dbraw/zinc/88/54/45/942885445.db2.gz DHNFWAIADNHDRC-QGZVFWFLSA-N 1 3 318.421 0.917 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001483923557 943025188 /nfs/dbraw/zinc/02/51/88/943025188.db2.gz ASCTTZVNUQRYGR-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483952663 943052035 /nfs/dbraw/zinc/05/20/35/943052035.db2.gz KLWWTNVSVGWPRS-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483952663 943052038 /nfs/dbraw/zinc/05/20/38/943052038.db2.gz KLWWTNVSVGWPRS-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001484002030 943079665 /nfs/dbraw/zinc/07/96/65/943079665.db2.gz SHHXDHQFAZYMAB-GJZGRUSLSA-N 1 3 322.453 0.078 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N2CCC2)C1 ZINC001484124159 943156433 /nfs/dbraw/zinc/15/64/33/943156433.db2.gz GSVXXFDHNGQCGQ-KRWDZBQOSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338119 943327589 /nfs/dbraw/zinc/32/75/89/943327589.db2.gz FZJUUYQCIFFNRM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001484544613 943447976 /nfs/dbraw/zinc/44/79/76/943447976.db2.gz XQGHHFYHODWOIH-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO Cn1nncc1CNCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484548350 943449120 /nfs/dbraw/zinc/44/91/20/943449120.db2.gz BVORDIKSJXUQKE-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1nncc1CNCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484548350 943449125 /nfs/dbraw/zinc/44/91/25/943449125.db2.gz BVORDIKSJXUQKE-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001484648549 943492892 /nfs/dbraw/zinc/49/28/92/943492892.db2.gz DXFMULDMDZIJBR-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001484681230 943502974 /nfs/dbraw/zinc/50/29/74/943502974.db2.gz VCSQTXAMGSUQQG-AWEZNQCLSA-N 1 3 301.406 0.647 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CCC[C@@H](C)O)C1 ZINC001484699906 943521598 /nfs/dbraw/zinc/52/15/98/943521598.db2.gz IIQORTSGJNDMPA-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001491079512 943736491 /nfs/dbraw/zinc/73/64/91/943736491.db2.gz CSYLXFLNHXNBAL-GASCZTMLSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485198181 943742680 /nfs/dbraw/zinc/74/26/80/943742680.db2.gz GWYDUMRJLIHUPZ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001491332985 943925292 /nfs/dbraw/zinc/92/52/92/943925292.db2.gz XCDNAJXRVMSFHF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001491332985 943925295 /nfs/dbraw/zinc/92/52/95/943925295.db2.gz XCDNAJXRVMSFHF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001491370405 943942738 /nfs/dbraw/zinc/94/27/38/943942738.db2.gz QJWBENQQALSBBZ-YMAMQOFZSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCC1 ZINC001491384516 943956150 /nfs/dbraw/zinc/95/61/50/943956150.db2.gz VWSUXRHCQFCMSR-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC001491384516 943956157 /nfs/dbraw/zinc/95/61/57/943956157.db2.gz VWSUXRHCQFCMSR-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cnc(CN[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC001491502832 944054999 /nfs/dbraw/zinc/05/49/99/944054999.db2.gz CNMXNJKCKBNOBU-HIFRSBDPSA-N 1 3 305.426 0.864 20 0 DCADHO Cc1cnc(CN[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC001491502832 944055008 /nfs/dbraw/zinc/05/50/08/944055008.db2.gz CNMXNJKCKBNOBU-HIFRSBDPSA-N 1 3 305.426 0.864 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCCF)C1 ZINC001276822580 944314161 /nfs/dbraw/zinc/31/41/61/944314161.db2.gz YXNIQQDPEKSFED-UONOGXRCSA-N 1 3 303.422 0.892 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cccc(N)c4)CC3)[C@H]2C1 ZINC001276861651 944332625 /nfs/dbraw/zinc/33/26/25/944332625.db2.gz RGXHGQQMHNQPKJ-HOTGVXAUSA-N 1 3 314.433 0.911 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cccc(N)c4)CC3)[C@H]2C1 ZINC001276861651 944332632 /nfs/dbraw/zinc/33/26/32/944332632.db2.gz RGXHGQQMHNQPKJ-HOTGVXAUSA-N 1 3 314.433 0.911 20 0 DCADHO Cc1c[nH]c(=O)c(CN2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c1 ZINC001276872581 944338648 /nfs/dbraw/zinc/33/86/48/944338648.db2.gz VCYOCUWAIPXSPN-HOTGVXAUSA-N 1 3 320.437 0.542 20 0 DCADHO C[C@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)CCC[NH+](C)C ZINC001486123213 944579428 /nfs/dbraw/zinc/57/94/28/944579428.db2.gz ZLIMZDGTBHOPIM-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO C[NH+](C)CCC(=O)NCCCN(CCCO)Cc1cccnc1 ZINC001230835734 944829831 /nfs/dbraw/zinc/82/98/31/944829831.db2.gz UNFVYIGCQXYELV-UHFFFAOYSA-N 1 3 322.453 0.724 20 0 DCADHO CCCC[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(N)=O ZINC001486482427 944916952 /nfs/dbraw/zinc/91/69/52/944916952.db2.gz DGBFYLBOTQHDQF-YMAMQOFZSA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)C(C)(C)N1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001277640615 944922487 /nfs/dbraw/zinc/92/24/87/944922487.db2.gz STQQETRPMWXYEK-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)C(C)(C)N1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001277640615 944922494 /nfs/dbraw/zinc/92/24/94/944922494.db2.gz STQQETRPMWXYEK-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO O=C1NC2(CCN(C3CC3)CC2)[C@@H]2C[N@@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001277921418 945039475 /nfs/dbraw/zinc/03/94/75/945039475.db2.gz BUPUHDNIKNJLRL-HUUCEWRRSA-N 1 3 315.421 0.585 20 0 DCADHO O=C1NC2(CCN(C3CC3)CC2)[C@@H]2C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001277921418 945039465 /nfs/dbraw/zinc/03/94/65/945039465.db2.gz BUPUHDNIKNJLRL-HUUCEWRRSA-N 1 3 315.421 0.585 20 0 DCADHO CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@@H]2C1 ZINC001277923781 945044361 /nfs/dbraw/zinc/04/43/61/945044361.db2.gz KYLMILAEHQTWOP-HUUCEWRRSA-N 1 3 306.454 0.223 20 0 DCADHO CN(C)CC[N@H+]1C[C@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@@H]2C1 ZINC001277923781 945044370 /nfs/dbraw/zinc/04/43/70/945044370.db2.gz KYLMILAEHQTWOP-HUUCEWRRSA-N 1 3 306.454 0.223 20 0 DCADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CNC[C@H]2CO)CC1 ZINC001246310599 945381273 /nfs/dbraw/zinc/38/12/73/945381273.db2.gz UKNAORJFTTYLGS-ULQDDVLXSA-N 1 3 317.433 0.851 20 0 DCADHO COC(=O)C[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246358435 945391104 /nfs/dbraw/zinc/39/11/04/945391104.db2.gz PKADZBUBWBOOFT-JSGCOSHPSA-N 1 3 304.394 0.369 20 0 DCADHO CC(C)COc1cc(CN[C@H]2CCNC3(C[NH2+]C3)C2)ncn1 ZINC001246386151 945398943 /nfs/dbraw/zinc/39/89/43/945398943.db2.gz FTRUYOPXSZSTGB-ZDUSSCGKSA-N 1 3 305.426 0.695 20 0 DCADHO c1cc(CN[C@H]2CCNC3(C[NH2+]C3)C2)nc(OCC2CCC2)n1 ZINC001246434087 945408600 /nfs/dbraw/zinc/40/86/00/945408600.db2.gz LVQNMLVOGLDNCP-AWEZNQCLSA-N 1 3 317.437 0.839 20 0 DCADHO [NH3+]C[C@@]1(O)CCCCN(C2CCN(c3ncccn3)CC2)C1 ZINC001246559108 945433486 /nfs/dbraw/zinc/43/34/86/945433486.db2.gz NJKFQJWGSBCGHR-INIZCTEOSA-N 1 3 305.426 0.621 20 0 DCADHO [NH3+]C[C@H]1CN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1O ZINC001246574660 945436284 /nfs/dbraw/zinc/43/62/84/945436284.db2.gz ATOQAIYQFXRFSN-GOEBONIOSA-N 1 3 303.406 0.543 20 0 DCADHO CCCC[C@@H]1C[C@@H](N2CCOC[C@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246608589 945441034 /nfs/dbraw/zinc/44/10/34/945441034.db2.gz XXXAMJUBNSOEFH-IKGGRYGDSA-N 1 3 311.470 0.988 20 0 DCADHO c1nnn([C@@H]2CCC[C@H](N3CCN[C@H]4CC[NH2+]CC[C@@H]43)C2)n1 ZINC001246619480 945443345 /nfs/dbraw/zinc/44/33/45/945443345.db2.gz RTAYVGNXWOWPNH-XGUBFFRZSA-N 1 3 305.430 0.183 20 0 DCADHO c1cc(CN2CCC(N3CCNC[C@]34CC[NH2+]C4)CC2)ccn1 ZINC001246622715 945443639 /nfs/dbraw/zinc/44/36/39/945443639.db2.gz IJRXSGDXEVMXRH-GOSISDBHSA-N 1 3 315.465 0.683 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@@H]3CCNC4(CCC4)C3)C[C@@H]2N1 ZINC001246669342 945456282 /nfs/dbraw/zinc/45/62/82/945456282.db2.gz MZIBARUCZFPNHE-TUVASFSCSA-N 1 3 307.438 0.887 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@@H]3CCNC4(CCC4)C3)C[C@@H]2N1 ZINC001246669342 945456286 /nfs/dbraw/zinc/45/62/86/945456286.db2.gz MZIBARUCZFPNHE-TUVASFSCSA-N 1 3 307.438 0.887 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2CN([C@@H]3CC[NH2+]C4(CCC4)C3)C[C@@H]2N1 ZINC001246669342 945456291 /nfs/dbraw/zinc/45/62/91/945456291.db2.gz MZIBARUCZFPNHE-TUVASFSCSA-N 1 3 307.438 0.887 20 0 DCADHO CNC(=O)C[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001318915917 945464367 /nfs/dbraw/zinc/46/43/67/945464367.db2.gz YSRKAOJQRWRIBM-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CCN1 ZINC001246707766 945466733 /nfs/dbraw/zinc/46/67/33/945466733.db2.gz VOLMOVVKCIEJMP-NQNKBUKLSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CCN1 ZINC001246707766 945466737 /nfs/dbraw/zinc/46/67/37/945466737.db2.gz VOLMOVVKCIEJMP-NQNKBUKLSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246707046 945467031 /nfs/dbraw/zinc/46/70/31/945467031.db2.gz YNXKSVAVTQYVBO-YIDVYQOGSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246707046 945467036 /nfs/dbraw/zinc/46/70/36/945467036.db2.gz YNXKSVAVTQYVBO-YIDVYQOGSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1C[C@@H](N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CC[NH2+]1 ZINC001246707046 945467038 /nfs/dbraw/zinc/46/70/38/945467038.db2.gz YNXKSVAVTQYVBO-YIDVYQOGSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1CC[C@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)C[NH2+]1 ZINC001246747269 945481187 /nfs/dbraw/zinc/48/11/87/945481187.db2.gz TURUINPIKQFVOW-HIFRSBDPSA-N 1 3 319.453 0.651 20 0 DCADHO c1cc(CN2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)ccn1 ZINC001246782892 945488987 /nfs/dbraw/zinc/48/89/87/945488987.db2.gz MBQDFPLKZACLMD-MRXNPFEDSA-N 1 3 301.438 0.293 20 0 DCADHO CC(C)(C)OC(=O)CN1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246786950 945489488 /nfs/dbraw/zinc/48/94/88/945489488.db2.gz BPMCOYGWFDWOJZ-AWEZNQCLSA-N 1 3 324.469 0.040 20 0 DCADHO Cn1cc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cn1 ZINC001319057214 945489693 /nfs/dbraw/zinc/48/96/93/945489693.db2.gz GYPCYNLZVSOCHK-CVEARBPZSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CCO ZINC001319245893 945531301 /nfs/dbraw/zinc/53/13/01/945531301.db2.gz PNTUVRYHDVQHIP-DOMZBBRYSA-N 1 3 303.422 0.533 20 0 DCADHO c1cc(-c2noc([C@@]34C[NH2+]C[C@H]3CCN4)n2)nc2c1CNCC2 ZINC001247831911 945575887 /nfs/dbraw/zinc/57/58/87/945575887.db2.gz ABWCPAKDYUZDNB-BDJLRTHQSA-N 1 3 312.377 0.185 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001319438223 945588306 /nfs/dbraw/zinc/58/83/06/945588306.db2.gz YMHRRCQWPDDQID-OCCSQVGLSA-N 1 3 323.441 0.841 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001487212091 945601968 /nfs/dbraw/zinc/60/19/68/945601968.db2.gz DCKDXQHWENIBIJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO N[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CCC[NH2+]C1 ZINC001249228538 945624671 /nfs/dbraw/zinc/62/46/71/945624671.db2.gz IGLQXBREQGDTHM-OAHLLOKOSA-N 1 3 300.366 0.315 20 0 DCADHO C[N@H+](CCO)CCCNC[C@@H](O)COc1ccc(F)cc1F ZINC001250888308 945689188 /nfs/dbraw/zinc/68/91/88/945689188.db2.gz MQEARXHZNOTNKW-CYBMUJFWSA-N 1 3 318.364 0.608 20 0 DCADHO C[N@@H+](CCO)CCCNC[C@@H](O)COc1ccc(F)cc1F ZINC001250888308 945689193 /nfs/dbraw/zinc/68/91/93/945689193.db2.gz MQEARXHZNOTNKW-CYBMUJFWSA-N 1 3 318.364 0.608 20 0 DCADHO COC[C@@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001252825999 946014702 /nfs/dbraw/zinc/01/47/02/946014702.db2.gz FOAKAQTXXXFYGZ-KRWDZBQOSA-N 1 3 307.438 0.531 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001410224353 946058496 /nfs/dbraw/zinc/05/84/96/946058496.db2.gz BIBDWODXKJZDOI-TUVASFSCSA-N 1 3 324.469 0.609 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CCCN(c2cnccn2)C1 ZINC001253214742 946095542 /nfs/dbraw/zinc/09/55/42/946095542.db2.gz RNSDRENVDOOKFF-LSDHHAIUSA-N 1 3 307.442 0.738 20 0 DCADHO CCNC(=O)N1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253403790 946115374 /nfs/dbraw/zinc/11/53/74/946115374.db2.gz JSQYZQIRJRVMHQ-ZDUSSCGKSA-N 1 3 300.447 0.519 20 0 DCADHO CCNC(=O)N1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253403790 946115381 /nfs/dbraw/zinc/11/53/81/946115381.db2.gz JSQYZQIRJRVMHQ-ZDUSSCGKSA-N 1 3 300.447 0.519 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001321113218 946171483 /nfs/dbraw/zinc/17/14/83/946171483.db2.gz WZFILEISCKWCOG-VQTKUKTRSA-N 1 3 322.453 0.388 20 0 DCADHO CC(C)(C(=O)NC/C=C\CN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001321184025 946204962 /nfs/dbraw/zinc/20/49/62/946204962.db2.gz DUVCITRHXODRET-NQHOJNORSA-N 1 3 322.453 0.401 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@H]1CCCNC1=O)[NH+](C)C ZINC001321351740 946291807 /nfs/dbraw/zinc/29/18/07/946291807.db2.gz ZTKVWHHBNDWMFU-BUHQSOCUSA-N 1 3 310.442 0.113 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001321418322 946322899 /nfs/dbraw/zinc/32/28/99/946322899.db2.gz BNROTCQZILKIHN-LUNKNMTDSA-N 1 3 324.469 0.503 20 0 DCADHO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)N1CCCC1 ZINC001273301515 946451222 /nfs/dbraw/zinc/45/12/22/946451222.db2.gz VPCHKWNGIGNCOH-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCc1cnn(C)c1)[NH+](C)C ZINC001410474371 946465136 /nfs/dbraw/zinc/46/51/36/946465136.db2.gz MVCCONJWBFWJGX-UKRRQHHQSA-N 1 3 309.458 0.943 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001273316490 946493557 /nfs/dbraw/zinc/49/35/57/946493557.db2.gz SVFSVPZNMYSYEY-CQSZACIVSA-N 1 3 315.458 0.428 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001410512359 946506881 /nfs/dbraw/zinc/50/68/81/946506881.db2.gz NXYXMEGEOXDOGN-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC[C@@H](C)[NH2+]CCCC[C@H](NC(C)=O)C(N)=O ZINC001255948267 946561335 /nfs/dbraw/zinc/56/13/35/946561335.db2.gz IMVOUOYAYQELFK-HIFRSBDPSA-N 1 3 314.474 0.857 20 0 DCADHO C[C@H](CC(=O)N1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001256336431 946617367 /nfs/dbraw/zinc/61/73/67/946617367.db2.gz ZXAHFVGUNBCBIK-OAHLLOKOSA-N 1 3 318.421 0.841 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001256768759 946660584 /nfs/dbraw/zinc/66/05/84/946660584.db2.gz TZYOJGVJTSXPGG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001257916135 946778829 /nfs/dbraw/zinc/77/88/29/946778829.db2.gz UGJCFDWPXGMICB-FRRDWIJNSA-N 1 3 320.455 0.602 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC001257916135 946778835 /nfs/dbraw/zinc/77/88/35/946778835.db2.gz UGJCFDWPXGMICB-FRRDWIJNSA-N 1 3 320.455 0.602 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001410758973 946904290 /nfs/dbraw/zinc/90/42/90/946904290.db2.gz XCHBFAFBXWPTDY-INIZCTEOSA-N 1 3 317.433 0.658 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC001410766328 946909930 /nfs/dbraw/zinc/90/99/30/946909930.db2.gz KDDSLHGVFZYIKS-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410882426 947082756 /nfs/dbraw/zinc/08/27/56/947082756.db2.gz YZZXQYHDSBGQET-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)C(C)(C)C1 ZINC001411022303 947237129 /nfs/dbraw/zinc/23/71/29/947237129.db2.gz QLAXTIKKYJKVOH-CQSZACIVSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001261320508 947243251 /nfs/dbraw/zinc/24/32/51/947243251.db2.gz DBSGUXIAFYOVRH-UHFFFAOYSA-N 1 3 314.474 0.443 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCn1cccn1 ZINC001324273162 947373553 /nfs/dbraw/zinc/37/35/53/947373553.db2.gz IBKKUHSQIJZTTN-HNNXBMFYSA-N 1 3 305.426 0.560 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262064330 947545494 /nfs/dbraw/zinc/54/54/94/947545494.db2.gz XYRKGIWTYRCZCO-XDQVBPFNSA-N 1 3 310.442 0.077 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC001246199743 947682281 /nfs/dbraw/zinc/68/22/81/947682281.db2.gz ZZLLDGFETSQZHY-STQMWFEESA-N 1 3 320.455 0.332 20 0 DCADHO CCS(=O)(=O)N1CCC(CN[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246363290 947690564 /nfs/dbraw/zinc/69/05/64/947690564.db2.gz CKWQKJCESBCASH-OCCSQVGLSA-N 1 3 303.472 0.778 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482076 947849691 /nfs/dbraw/zinc/84/96/91/947849691.db2.gz QUCCRONWZBZUQG-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482578 947851525 /nfs/dbraw/zinc/85/15/25/947851525.db2.gz WKMAPGWGGDXHRJ-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C)C(N)=O ZINC001179549987 947867699 /nfs/dbraw/zinc/86/76/99/947867699.db2.gz OWUZZGPUKRPWCZ-AGIUHOORSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001179609034 947875047 /nfs/dbraw/zinc/87/50/47/947875047.db2.gz CROCSTWQIQZHPI-HNNXBMFYSA-N 1 3 324.473 0.922 20 0 DCADHO CN1CCN(CCCN2CCC3(CC[NH+](C)CC3)C2=O)CC1 ZINC001273517423 947938498 /nfs/dbraw/zinc/93/84/98/947938498.db2.gz NBCZHKAGRLZFDR-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001487909676 948352880 /nfs/dbraw/zinc/35/28/80/948352880.db2.gz PVGXXUFLEVZXHJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001326990689 948354828 /nfs/dbraw/zinc/35/48/28/948354828.db2.gz NNUYDNHQPCAFNA-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC001327681521 948594571 /nfs/dbraw/zinc/59/45/71/948594571.db2.gz DAWBHQNMOJJZEY-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC(O)(CNCCF)CC1 ZINC001328217140 948751919 /nfs/dbraw/zinc/75/19/19/948751919.db2.gz BVBQYQRYULOMPB-UHFFFAOYSA-N 1 3 315.433 0.775 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001488774001 949168755 /nfs/dbraw/zinc/16/87/55/949168755.db2.gz QTBIDQTYNCPWNV-BYNSBNAKSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H](O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001488889869 949307281 /nfs/dbraw/zinc/30/72/81/949307281.db2.gz WJLHSOTYSNWHGI-BHYGNILZSA-N 1 3 319.449 0.903 20 0 DCADHO C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](CNCC(N)=O)C1 ZINC001489055500 949447902 /nfs/dbraw/zinc/44/79/02/949447902.db2.gz AMRVGHIOOYQSPH-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001489191035 949589655 /nfs/dbraw/zinc/58/96/55/949589655.db2.gz JQGNYGBSWJOORC-QLFBSQMISA-N 1 3 315.433 0.439 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001489191035 949589668 /nfs/dbraw/zinc/58/96/68/949589668.db2.gz JQGNYGBSWJOORC-QLFBSQMISA-N 1 3 315.433 0.439 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001265456553 949704103 /nfs/dbraw/zinc/70/41/03/949704103.db2.gz YVORVSCVAGLBOQ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCCNC1=O ZINC001490194847 950414585 /nfs/dbraw/zinc/41/45/85/950414585.db2.gz CEFJURXMFAUKHQ-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[C@@H]1CCCN1CC(N)=O)[NH+](C)C ZINC001266241058 950516902 /nfs/dbraw/zinc/51/69/02/950516902.db2.gz JBMXBRHPXOKSGK-HIFRSBDPSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCC23CCC3)CC[N@@H+]1C ZINC001331129852 950938734 /nfs/dbraw/zinc/93/87/34/950938734.db2.gz BQGOUAVVRNCQOW-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCC23CCC3)CC[N@H+]1C ZINC001331129852 950938750 /nfs/dbraw/zinc/93/87/50/950938750.db2.gz BQGOUAVVRNCQOW-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC/C=C/Cl)C2)CC[N@@H+]1C ZINC001280581593 950962674 /nfs/dbraw/zinc/96/26/74/950962674.db2.gz CRRQJKKBTRLSMF-ALTFXKKKSA-N 1 3 315.845 0.896 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC/C=C/Cl)C2)CC[N@H+]1C ZINC001280581593 950962691 /nfs/dbraw/zinc/96/26/91/950962691.db2.gz CRRQJKKBTRLSMF-ALTFXKKKSA-N 1 3 315.845 0.896 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490734359 951060854 /nfs/dbraw/zinc/06/08/54/951060854.db2.gz AACAKMDPGLMQLH-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490734359 951060866 /nfs/dbraw/zinc/06/08/66/951060866.db2.gz AACAKMDPGLMQLH-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CCCC[NH+](C)C ZINC001332047643 951450996 /nfs/dbraw/zinc/45/09/96/951450996.db2.gz IUVWWVDARRFRFF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001332249633 951543250 /nfs/dbraw/zinc/54/32/50/951543250.db2.gz IOESJHRXBYBQKL-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001365827449 951590518 /nfs/dbraw/zinc/59/05/18/951590518.db2.gz DOGTUKOGSKJFEQ-KCQAQPDRSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001365853798 951618264 /nfs/dbraw/zinc/61/82/64/951618264.db2.gz IPXLWXBLCMXAKN-SYQHCUMBSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001365856743 951620619 /nfs/dbraw/zinc/62/06/19/951620619.db2.gz XUEJVZYYQPPDFL-JYJNAYRXSA-N 1 3 321.469 0.787 20 0 DCADHO COCC[N@H+](CCO)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001365875514 951639725 /nfs/dbraw/zinc/63/97/25/951639725.db2.gz NAUYVVNAEKGKIQ-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001365875514 951639728 /nfs/dbraw/zinc/63/97/28/951639728.db2.gz NAUYVVNAEKGKIQ-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001274609469 951735071 /nfs/dbraw/zinc/73/50/71/951735071.db2.gz KZLIQYZEUMHGSE-OQOSRZTISA-N 1 3 308.426 0.011 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001274609469 951735074 /nfs/dbraw/zinc/73/50/74/951735074.db2.gz KZLIQYZEUMHGSE-OQOSRZTISA-N 1 3 308.426 0.011 20 0 DCADHO CN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001299383584 951836724 /nfs/dbraw/zinc/83/67/24/951836724.db2.gz VFXDLQWIKNRKTB-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001274991564 951923948 /nfs/dbraw/zinc/92/39/48/951923948.db2.gz KSJMBQOGWOBYFJ-RISCZKNCSA-N 1 3 310.446 0.329 20 0 DCADHO O=C1CC[C@@H](C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)N1 ZINC001275186817 951995599 /nfs/dbraw/zinc/99/55/99/951995599.db2.gz NFSZIZLBQBTWDT-HNNXBMFYSA-N 1 3 317.437 0.976 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001275914962 952521953 /nfs/dbraw/zinc/52/19/53/952521953.db2.gz IHNYJDOEMFDOQN-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC001335499584 952546442 /nfs/dbraw/zinc/54/64/42/952546442.db2.gz WBJMQAMTNKAXBJ-CQSZACIVSA-N 1 3 311.474 0.393 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001276007529 952613802 /nfs/dbraw/zinc/61/38/02/952613802.db2.gz UUFITTZRZIZDIY-CQSZACIVSA-N 1 3 323.466 0.818 20 0 DCADHO CC(C)C[NH+]1CCC(C(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC001412196581 952689226 /nfs/dbraw/zinc/68/92/26/952689226.db2.gz RXOUJWXJMKIEFF-INIZCTEOSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412268360 952727842 /nfs/dbraw/zinc/72/78/42/952727842.db2.gz MYOVQZDEZHPSIG-RBSFLKMASA-N 1 3 324.469 0.685 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC001336726925 952758528 /nfs/dbraw/zinc/75/85/28/952758528.db2.gz GTLGWIVATSKTCG-DLBZAZTESA-N 1 3 313.486 0.516 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC(C)(C)C[NH3+] ZINC001340206067 953154165 /nfs/dbraw/zinc/15/41/65/953154165.db2.gz PNKNPGUSUIMUNK-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001365887111 953362139 /nfs/dbraw/zinc/36/21/39/953362139.db2.gz HWSRDWXARYISNR-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCn2cccn2)C1)N(C)C ZINC001282013445 953445862 /nfs/dbraw/zinc/44/58/62/953445862.db2.gz FFWFOSHYLYIOBM-GPANFISMSA-N 1 3 321.469 0.954 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366079322 953657755 /nfs/dbraw/zinc/65/77/55/953657755.db2.gz PFOYHDSRFWKOPL-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366079322 953657765 /nfs/dbraw/zinc/65/77/65/953657765.db2.gz PFOYHDSRFWKOPL-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366078684 953658406 /nfs/dbraw/zinc/65/84/06/953658406.db2.gz NXEWYITWEVPKEJ-GJZGRUSLSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366078684 953658412 /nfs/dbraw/zinc/65/84/12/953658412.db2.gz NXEWYITWEVPKEJ-GJZGRUSLSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001366081362 953660737 /nfs/dbraw/zinc/66/07/37/953660737.db2.gz NFAYOSLMVOHHGM-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366092040 953672711 /nfs/dbraw/zinc/67/27/11/953672711.db2.gz JIBBLWSCHHBTLU-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001366104365 953690603 /nfs/dbraw/zinc/69/06/03/953690603.db2.gz OYWFEQLBUDEBAG-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(=O)NC ZINC001366219050 953842711 /nfs/dbraw/zinc/84/27/11/953842711.db2.gz VHTHMVXOOZCGSK-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(=O)NC ZINC001366219050 953842721 /nfs/dbraw/zinc/84/27/21/953842721.db2.gz VHTHMVXOOZCGSK-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283026399 953930513 /nfs/dbraw/zinc/93/05/13/953930513.db2.gz ZAMIMFAYLJQSEE-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283026399 953930521 /nfs/dbraw/zinc/93/05/21/953930521.db2.gz ZAMIMFAYLJQSEE-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+]1CCC(C(=O)NCCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001283093496 954002064 /nfs/dbraw/zinc/00/20/64/954002064.db2.gz KTFPXJGBJMFYSI-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NCc1cncn1C ZINC001366347171 954072717 /nfs/dbraw/zinc/07/27/17/954072717.db2.gz RIKRTUBHOTYGSA-CYBMUJFWSA-N 1 3 323.441 0.125 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC1CC1 ZINC001366382568 954129515 /nfs/dbraw/zinc/12/95/15/954129515.db2.gz QFKVUBNFHKFDSI-OCCSQVGLSA-N 1 3 322.453 0.328 20 0 DCADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)CCn1cccn1 ZINC001366555234 954413210 /nfs/dbraw/zinc/41/32/10/954413210.db2.gz WOMLPHSUGPGWKL-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO C[C@H](CN(C)C(=O)CCCC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001283702537 954546634 /nfs/dbraw/zinc/54/66/34/954546634.db2.gz MYMDXIDJTRAICA-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366687325 954649606 /nfs/dbraw/zinc/64/96/06/954649606.db2.gz GEWUERLHBIJNIJ-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001366729569 954728493 /nfs/dbraw/zinc/72/84/93/954728493.db2.gz QPJULWPBHHOASP-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001366729569 954728506 /nfs/dbraw/zinc/72/85/06/954728506.db2.gz QPJULWPBHHOASP-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001366832996 954905271 /nfs/dbraw/zinc/90/52/71/954905271.db2.gz XICCOWSLGKDUKH-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001366832996 954905278 /nfs/dbraw/zinc/90/52/78/954905278.db2.gz XICCOWSLGKDUKH-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001367095576 955307343 /nfs/dbraw/zinc/30/73/43/955307343.db2.gz FLEMUSULWKMNPG-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)CC ZINC001367124248 955352098 /nfs/dbraw/zinc/35/20/98/955352098.db2.gz IAWKDYRGGDXVMU-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCCC[C@@]1(C[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001367200514 955456745 /nfs/dbraw/zinc/45/67/45/955456745.db2.gz XGDRINUAFAHGCA-DYVFJYSZSA-N 1 3 324.469 0.611 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001367219619 955472301 /nfs/dbraw/zinc/47/23/01/955472301.db2.gz DUMOIYZEVPIUQT-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001367228772 955485043 /nfs/dbraw/zinc/48/50/43/955485043.db2.gz SOGRBFFPTNKOII-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cncn1C ZINC001367243422 955514976 /nfs/dbraw/zinc/51/49/76/955514976.db2.gz OELRHBAGHXXKKZ-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001285556869 955791388 /nfs/dbraw/zinc/79/13/88/955791388.db2.gz FIOSGKWEFJTSBH-MFHOCJEASA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001285556869 955791396 /nfs/dbraw/zinc/79/13/96/955791396.db2.gz FIOSGKWEFJTSBH-MFHOCJEASA-N 1 3 324.469 0.313 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC001354234613 956322834 /nfs/dbraw/zinc/32/28/34/956322834.db2.gz IAALBNGDNNNTMP-JNNCMOEMSA-N 1 3 320.481 0.515 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CCCO1 ZINC001200688031 956416341 /nfs/dbraw/zinc/41/63/41/956416341.db2.gz JJGUUIFDOOUYNN-GJZGRUSLSA-N 1 3 313.442 0.180 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001413872095 956785438 /nfs/dbraw/zinc/78/54/38/956785438.db2.gz QIAHTUUATIVNLF-OAHLLOKOSA-N 1 3 303.406 0.951 20 0 DCADHO Cc1cccnc1NC(=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC001357243108 957239342 /nfs/dbraw/zinc/23/93/42/957239342.db2.gz SURPZIAYZZSPCJ-AWEZNQCLSA-N 1 3 306.410 0.765 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367404457 957776933 /nfs/dbraw/zinc/77/69/33/957776933.db2.gz MFRVKJMIGWALCN-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367404457 957776944 /nfs/dbraw/zinc/77/69/44/957776944.db2.gz MFRVKJMIGWALCN-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)CN1CCCC1 ZINC001367409742 957783046 /nfs/dbraw/zinc/78/30/46/957783046.db2.gz WADBSDIIRRTIRH-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367414231 957789249 /nfs/dbraw/zinc/78/92/49/957789249.db2.gz MPCDIXAXOVQTOJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367426480 957798180 /nfs/dbraw/zinc/79/81/80/957798180.db2.gz VBGSDEYRNPLJIB-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367426480 957798190 /nfs/dbraw/zinc/79/81/90/957798190.db2.gz VBGSDEYRNPLJIB-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001367579740 958104438 /nfs/dbraw/zinc/10/44/38/958104438.db2.gz JTRJTLZNZDOSMG-KBPBESRZSA-N 1 3 315.458 0.353 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C)N(C)C ZINC001367591622 958137090 /nfs/dbraw/zinc/13/70/90/958137090.db2.gz BZUWLZHKSXYGRK-JKSUJKDBSA-N 1 3 307.438 0.902 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001367621686 958201660 /nfs/dbraw/zinc/20/16/60/958201660.db2.gz KZTZXWUKKWALPL-ZIAGYGMSSA-N 1 3 313.467 0.963 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N1CCCCC1)NC(=O)CC[NH+](C)C ZINC001367695694 958390145 /nfs/dbraw/zinc/39/01/45/958390145.db2.gz LFUWMOJEYYHWMW-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001367705470 958411769 /nfs/dbraw/zinc/41/17/69/958411769.db2.gz STVJNSMKIKVGDE-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C(C)C)C1=O)N(C)C ZINC001367756990 958512749 /nfs/dbraw/zinc/51/27/49/958512749.db2.gz GHAHDRLONJMLRF-IHRRRGAJSA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N(C)C2CC2)CCC1)N(C)C ZINC001376805957 958888395 /nfs/dbraw/zinc/88/83/95/958888395.db2.gz ASJHBESOQMCSAH-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCC(=O)NC(C)(C)C ZINC001376849501 958976472 /nfs/dbraw/zinc/97/64/72/958976472.db2.gz WNOYETGCJGAFGV-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCC(=O)NC(C)(C)C ZINC001376849501 958976482 /nfs/dbraw/zinc/97/64/82/958976482.db2.gz WNOYETGCJGAFGV-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376965658 959216683 /nfs/dbraw/zinc/21/66/83/959216683.db2.gz NWCMTQVBLTZBCQ-OLZOCXBDSA-N 1 3 321.425 0.305 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001368103160 959244179 /nfs/dbraw/zinc/24/41/79/959244179.db2.gz HFJLYHARVVDMPX-VHDGCEQUSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001368103160 959244200 /nfs/dbraw/zinc/24/42/00/959244200.db2.gz HFJLYHARVVDMPX-VHDGCEQUSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001368111494 959261002 /nfs/dbraw/zinc/26/10/02/959261002.db2.gz SDRKNWIRBYZOOF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001368118661 959276979 /nfs/dbraw/zinc/27/69/79/959276979.db2.gz RKNWAZBXHFPOQR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001368118661 959276994 /nfs/dbraw/zinc/27/69/94/959276994.db2.gz RKNWAZBXHFPOQR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CCNC(=O)C1CC[NH+](C)CC1)NCc1nccn1C ZINC001377060603 959407130 /nfs/dbraw/zinc/40/71/30/959407130.db2.gz PTXMCNYYXACZSN-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001377069143 959422325 /nfs/dbraw/zinc/42/23/25/959422325.db2.gz WGVPTJOJQYRWFH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001377069143 959422339 /nfs/dbraw/zinc/42/23/39/959422339.db2.gz WGVPTJOJQYRWFH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368193581 959432379 /nfs/dbraw/zinc/43/23/79/959432379.db2.gz GUAZKBQGJHNAMI-INIZCTEOSA-N 1 3 321.425 0.259 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001492085392 959620722 /nfs/dbraw/zinc/62/07/22/959620722.db2.gz SEXNGJBZAXUYOX-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC)N(C)C ZINC001368353339 959717488 /nfs/dbraw/zinc/71/74/88/959717488.db2.gz XFPZVXSQZGMPME-XGUBFFRZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC)N(C)C ZINC001368353339 959717504 /nfs/dbraw/zinc/71/75/04/959717504.db2.gz XFPZVXSQZGMPME-XGUBFFRZSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001377249092 959787868 /nfs/dbraw/zinc/78/78/68/959787868.db2.gz KXXGINSORPTSLH-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001377249092 959787880 /nfs/dbraw/zinc/78/78/80/959787880.db2.gz KXXGINSORPTSLH-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001377256364 959804195 /nfs/dbraw/zinc/80/41/95/959804195.db2.gz DHYATXWDUPUWSJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001377278046 959846211 /nfs/dbraw/zinc/84/62/11/959846211.db2.gz OVHXRBCJBQTJBJ-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001368490971 959936974 /nfs/dbraw/zinc/93/69/74/959936974.db2.gz UXNNVQAOFLDQAS-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001368490971 959936977 /nfs/dbraw/zinc/93/69/77/959936977.db2.gz UXNNVQAOFLDQAS-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001368661155 960135463 /nfs/dbraw/zinc/13/54/63/960135463.db2.gz YPUBXLUJVJDDJX-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NCc1ccn(C)n1 ZINC001368744993 960221009 /nfs/dbraw/zinc/22/10/09/960221009.db2.gz QCTVHFSGMPAQGV-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001368747045 960222655 /nfs/dbraw/zinc/22/26/55/960222655.db2.gz DIADFLOSQZXAID-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001368747045 960222663 /nfs/dbraw/zinc/22/26/63/960222663.db2.gz DIADFLOSQZXAID-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001377573940 960300917 /nfs/dbraw/zinc/30/09/17/960300917.db2.gz CVOBCDJEEVBULZ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001377573940 960300924 /nfs/dbraw/zinc/30/09/24/960300924.db2.gz CVOBCDJEEVBULZ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC(=O)N2CCC2)C1 ZINC001368824902 960323506 /nfs/dbraw/zinc/32/35/06/960323506.db2.gz XTJONTMRLNPSEX-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@H+](CC)CC(N)=O)CC1)N(C)C ZINC001377591001 960327090 /nfs/dbraw/zinc/32/70/90/960327090.db2.gz JIDIKJDZEHWHTR-CQSZACIVSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@@H+](CC)CC(N)=O)CC1)N(C)C ZINC001377591001 960327100 /nfs/dbraw/zinc/32/71/00/960327100.db2.gz JIDIKJDZEHWHTR-CQSZACIVSA-N 1 3 312.458 0.372 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001377589683 960328298 /nfs/dbraw/zinc/32/82/98/960328298.db2.gz LTDZHHDVKSVDNT-UHFFFAOYSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCCO)c2ccccc2)CC[N@@H+]1C ZINC001377623664 960362325 /nfs/dbraw/zinc/36/23/25/960362325.db2.gz RQFLKNLVPBVSGJ-BMFZPTHFSA-N 1 3 305.422 0.766 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCCO)c2ccccc2)CC[N@H+]1C ZINC001377623664 960362331 /nfs/dbraw/zinc/36/23/31/960362331.db2.gz RQFLKNLVPBVSGJ-BMFZPTHFSA-N 1 3 305.422 0.766 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(=O)N1CCC1 ZINC001378252079 960430984 /nfs/dbraw/zinc/43/09/84/960430984.db2.gz CMHKRCYRCBRCDK-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001377707684 960473236 /nfs/dbraw/zinc/47/32/36/960473236.db2.gz QYFWAHOYOAJLGJ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001377719922 960496622 /nfs/dbraw/zinc/49/66/22/960496622.db2.gz RNPGTOPLLKQRAJ-WLYUNCDWSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001377774820 960624887 /nfs/dbraw/zinc/62/48/87/960624887.db2.gz ZBXBVSJXSGGSGD-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001378443365 960763927 /nfs/dbraw/zinc/76/39/27/960763927.db2.gz SZDRPXRWRANWKP-HDJSIYSDSA-N 1 3 324.469 0.624 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001447025334 1013207142 /nfs/dbraw/zinc/20/71/42/1013207142.db2.gz VWHQXUQZSNCLAX-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001378508984 960905133 /nfs/dbraw/zinc/90/51/33/960905133.db2.gz XXNSZHSETCJDBC-CYBMUJFWSA-N 1 3 308.430 0.238 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001378508984 960905148 /nfs/dbraw/zinc/90/51/48/960905148.db2.gz XXNSZHSETCJDBC-CYBMUJFWSA-N 1 3 308.430 0.238 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378582509 961071248 /nfs/dbraw/zinc/07/12/48/961071248.db2.gz AGZHTKSBVLSTDE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cncn1C ZINC001378606225 961116263 /nfs/dbraw/zinc/11/62/63/961116263.db2.gz OZJLBMPXOCHDBZ-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH2+]CC3)C2)nn1 ZINC001549047276 1013249199 /nfs/dbraw/zinc/24/91/99/1013249199.db2.gz NCPSWIVXUSJOML-UKRRQHHQSA-N 1 3 320.441 0.680 20 0 DCADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cn1 ZINC001378162261 961565368 /nfs/dbraw/zinc/56/53/68/961565368.db2.gz BWGCRRSIPJGYNH-MRXNPFEDSA-N 1 3 321.469 0.930 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001378836796 961572950 /nfs/dbraw/zinc/57/29/50/961572950.db2.gz MBHVZJCGXLEZKI-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001378843913 961589752 /nfs/dbraw/zinc/58/97/52/961589752.db2.gz WJOSVBLPXHKJSH-MRVWCRGKSA-N 1 3 310.442 0.090 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](CNCC(=O)NC)C1CC1 ZINC001379031305 961922869 /nfs/dbraw/zinc/92/28/69/961922869.db2.gz ZYOFZCYUMJAHOL-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](CNCC(=O)NC)C1CC1 ZINC001379031305 961922884 /nfs/dbraw/zinc/92/28/84/961922884.db2.gz ZYOFZCYUMJAHOL-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC[N@H+](C)CCCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001379039017 961943880 /nfs/dbraw/zinc/94/38/80/961943880.db2.gz YURHAJLTNJVDPK-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CC[N@@H+](C)CCCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001379039017 961943887 /nfs/dbraw/zinc/94/38/87/961943887.db2.gz YURHAJLTNJVDPK-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001379873245 962189650 /nfs/dbraw/zinc/18/96/50/962189650.db2.gz NCAGROTYBFXFBA-HUUCEWRRSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)CC1CCOCC1)C(=O)Cc1c[nH]cn1 ZINC001379959396 962394124 /nfs/dbraw/zinc/39/41/24/962394124.db2.gz HGDRDYFUFYLTQA-HNNXBMFYSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)CC1CCOCC1)C(=O)Cc1c[nH]cn1 ZINC001379959396 962394140 /nfs/dbraw/zinc/39/41/40/962394140.db2.gz HGDRDYFUFYLTQA-HNNXBMFYSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCn3cncn3)CC2)CCC1 ZINC001380080091 962629329 /nfs/dbraw/zinc/62/93/29/962629329.db2.gz IBDOFNAIOHMCNV-UHFFFAOYSA-N 1 3 306.414 0.001 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001380173524 962827696 /nfs/dbraw/zinc/82/76/96/962827696.db2.gz YEKKSJRBKLDZGQ-CYBMUJFWSA-N 1 3 320.441 0.344 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001380266432 962955554 /nfs/dbraw/zinc/95/55/54/962955554.db2.gz JMDMLAOCOBAIJJ-DGCLKSJQSA-N 1 3 319.409 0.200 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)N[C@H]1CCc2ccc(F)cc21 ZINC001379465774 962982686 /nfs/dbraw/zinc/98/26/86/962982686.db2.gz FJICCNCBGHVCDZ-HOCLYGCPSA-N 1 3 323.412 0.831 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001380321267 963038406 /nfs/dbraw/zinc/03/84/06/963038406.db2.gz FQMSTTFXSWDMDA-JSGCOSHPSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001379550935 963171789 /nfs/dbraw/zinc/17/17/89/963171789.db2.gz KIBTWOOTEUCARD-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@H]1C ZINC001379560254 963182824 /nfs/dbraw/zinc/18/28/24/963182824.db2.gz CIHYTVKFOXWNIQ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@H]1C ZINC001379560254 963182827 /nfs/dbraw/zinc/18/28/27/963182827.db2.gz CIHYTVKFOXWNIQ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001379561392 963183286 /nfs/dbraw/zinc/18/32/86/963183286.db2.gz AOQLCDVZSSXNGA-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001379561392 963183291 /nfs/dbraw/zinc/18/32/91/963183291.db2.gz AOQLCDVZSSXNGA-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001379581174 963211922 /nfs/dbraw/zinc/21/19/22/963211922.db2.gz GABBZAVDPSIIPN-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001379595677 963238334 /nfs/dbraw/zinc/23/83/34/963238334.db2.gz JFRIZERSSUOCKS-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001379689201 963387213 /nfs/dbraw/zinc/38/72/13/963387213.db2.gz NMEXURALXDEBGQ-WMLDXEAASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001379689201 963387219 /nfs/dbraw/zinc/38/72/19/963387219.db2.gz NMEXURALXDEBGQ-WMLDXEAASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](CC)C(N)=O)CC2 ZINC001380803401 963592427 /nfs/dbraw/zinc/59/24/27/963592427.db2.gz LADHHPZLBCGDPS-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001381268864 963931091 /nfs/dbraw/zinc/93/10/91/963931091.db2.gz GNILRTCPSGRPON-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](NCC(=O)N(C)C1CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001368875498 964075012 /nfs/dbraw/zinc/07/50/12/964075012.db2.gz YVMMPGYBBLGLEP-OLZOCXBDSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001368902779 964115154 /nfs/dbraw/zinc/11/51/54/964115154.db2.gz FHUNPJAQWBOMGW-GFCCVEGCSA-N 1 3 312.458 0.419 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001447620865 1013486094 /nfs/dbraw/zinc/48/60/94/1013486094.db2.gz SSFGYYISQINGKJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@H](C)C(N)=O ZINC001369036155 964330781 /nfs/dbraw/zinc/33/07/81/964330781.db2.gz FKFMOJWURCYHDE-DGCLKSJQSA-N 1 3 309.414 0.289 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001373697126 964490814 /nfs/dbraw/zinc/49/08/14/964490814.db2.gz GAEIJEBVRHCIKQ-KBPBESRZSA-N 1 3 314.474 0.487 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001369277494 964639827 /nfs/dbraw/zinc/63/98/27/964639827.db2.gz PRGVVVVZXCEGTP-IAQYHMDHSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001369277494 964639844 /nfs/dbraw/zinc/63/98/44/964639844.db2.gz PRGVVVVZXCEGTP-IAQYHMDHSA-N 1 3 316.421 0.121 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C[C@H]1C ZINC001375735694 964774534 /nfs/dbraw/zinc/77/45/34/964774534.db2.gz FHJQOHFHPRJEMY-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C[C@H]1C ZINC001375735688 964774751 /nfs/dbraw/zinc/77/47/51/964774751.db2.gz FHJQOHFHPRJEMY-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001375766581 964814445 /nfs/dbraw/zinc/81/44/45/964814445.db2.gz KQHDXJDBMURDNI-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001373970175 964834479 /nfs/dbraw/zinc/83/44/79/964834479.db2.gz HNOZHBWQAHXQMQ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC1 ZINC001375792931 964839123 /nfs/dbraw/zinc/83/91/23/964839123.db2.gz KLHSEAYYLTWZPN-CYBMUJFWSA-N 1 3 310.442 0.078 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001369393776 964886615 /nfs/dbraw/zinc/88/66/15/964886615.db2.gz AZBFEHNSXADJKU-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+][C@H]1CCNC1=O ZINC001374018771 964897403 /nfs/dbraw/zinc/89/74/03/964897403.db2.gz ZYUXKNJAKQQMLU-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001374061107 964961880 /nfs/dbraw/zinc/96/18/80/964961880.db2.gz YHHBHVGEMOLNFP-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)cn1)N(C)C ZINC001374095949 965007584 /nfs/dbraw/zinc/00/75/84/965007584.db2.gz DUSAYXGRPQWAIB-WFASDCNBSA-N 1 3 307.442 0.967 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374220486 965149726 /nfs/dbraw/zinc/14/97/26/965149726.db2.gz BYVMDWOQFQGCAY-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374220486 965149730 /nfs/dbraw/zinc/14/97/30/965149730.db2.gz BYVMDWOQFQGCAY-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374225992 965156855 /nfs/dbraw/zinc/15/68/55/965156855.db2.gz PCVNJVONXXBOLW-BFHYXJOUSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374225992 965156859 /nfs/dbraw/zinc/15/68/59/965156859.db2.gz PCVNJVONXXBOLW-BFHYXJOUSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001447797469 1013550679 /nfs/dbraw/zinc/55/06/79/1013550679.db2.gz LHWUHWKAVYUOGU-JXQTWKCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C)C(N)=O ZINC001369562620 965176367 /nfs/dbraw/zinc/17/63/67/965176367.db2.gz JXZCYYYFRYXJBM-DGCLKSJQSA-N 1 3 312.458 0.323 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001369583126 965194599 /nfs/dbraw/zinc/19/45/99/965194599.db2.gz QTLWTOKUXDBLIB-UHFFFAOYSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001374294522 965239366 /nfs/dbraw/zinc/23/93/66/965239366.db2.gz RIPMIJQJONWBSU-GFCCVEGCSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001374352954 965308507 /nfs/dbraw/zinc/30/85/07/965308507.db2.gz RDVBKSGHXDQQIK-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@H](C)C(N)=O ZINC001374387074 965331438 /nfs/dbraw/zinc/33/14/38/965331438.db2.gz NQEQMQOOZOZKKN-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO Cc1nc(CNC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001374392580 965335833 /nfs/dbraw/zinc/33/58/33/965335833.db2.gz CELSOCHSUFNBSL-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO Cc1nc(CNC[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001374392579 965336434 /nfs/dbraw/zinc/33/64/34/965336434.db2.gz CELSOCHSUFNBSL-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001447827421 1013573952 /nfs/dbraw/zinc/57/39/52/1013573952.db2.gz ZHBRJGONXDXYBS-UHFFFAOYSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](O)COC ZINC001374558563 965529314 /nfs/dbraw/zinc/52/93/14/965529314.db2.gz YEGVBOOTXZELNM-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H](O)COC ZINC001374558563 965529321 /nfs/dbraw/zinc/52/93/21/965529321.db2.gz YEGVBOOTXZELNM-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)C[C@@H](O)COC ZINC001374558563 965529333 /nfs/dbraw/zinc/52/93/33/965529333.db2.gz YEGVBOOTXZELNM-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)C[C@@H](O)COC ZINC001374558563 965529355 /nfs/dbraw/zinc/52/93/55/965529355.db2.gz YEGVBOOTXZELNM-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO Cn1cc(CN2CC[C@@H]3CN(C(=O)CC[NH+](C)C)CC[C@@H]32)cn1 ZINC001374560801 965536256 /nfs/dbraw/zinc/53/62/56/965536256.db2.gz FUUAPHMJCLCJFC-CVEARBPZSA-N 1 3 319.453 0.795 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001376340768 965542090 /nfs/dbraw/zinc/54/20/90/965542090.db2.gz MPXZBIPAPKRYST-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001376347318 965550295 /nfs/dbraw/zinc/55/02/95/965550295.db2.gz VTHNFELVOLCVRV-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001374572401 965550811 /nfs/dbraw/zinc/55/08/11/965550811.db2.gz LXCCMLGCDKOMHE-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO O=C(NC[C@H](O)CNCc1ccns1)[C@@H]1C[NH+]2CCC1CC2 ZINC001374606074 965624884 /nfs/dbraw/zinc/62/48/84/965624884.db2.gz RAGSINTVJHUIQX-TZMCWYRMSA-N 1 3 324.450 0.052 20 0 DCADHO CC[C@@H](CN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1)OC ZINC001376482288 965718134 /nfs/dbraw/zinc/71/81/34/965718134.db2.gz PRGPOKMALAZQTI-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001374676670 965744025 /nfs/dbraw/zinc/74/40/25/965744025.db2.gz PAAFXUDESSEOJF-KGLIPLIRSA-N 1 3 312.458 0.240 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001374713056 965800005 /nfs/dbraw/zinc/80/00/05/965800005.db2.gz NBSVVCKXXWVYKL-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](N[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1)C(N)=O ZINC001370186361 965866885 /nfs/dbraw/zinc/86/68/85/965866885.db2.gz SVPKHNVSGJQDAW-OCCSQVGLSA-N 1 3 322.453 0.221 20 0 DCADHO C[C@@H](N[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1)C(N)=O ZINC001370186363 965868067 /nfs/dbraw/zinc/86/80/67/965868067.db2.gz SVPKHNVSGJQDAW-TZMCWYRMSA-N 1 3 322.453 0.221 20 0 DCADHO CN1CC[C@H](NC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1=O ZINC001376602874 965878471 /nfs/dbraw/zinc/87/84/71/965878471.db2.gz LZTTYYRMXSWOIL-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001370232136 965908052 /nfs/dbraw/zinc/90/80/52/965908052.db2.gz XIYCLJDMMVBQOT-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001370265138 965936144 /nfs/dbraw/zinc/93/61/44/965936144.db2.gz MEYRZARTNFJJFG-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374802953 965947244 /nfs/dbraw/zinc/94/72/44/965947244.db2.gz ICXKWWPFLGJXQG-AGIUHOORSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374802953 965947252 /nfs/dbraw/zinc/94/72/52/965947252.db2.gz ICXKWWPFLGJXQG-AGIUHOORSA-N 1 3 310.442 0.090 20 0 DCADHO COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001374842361 966019188 /nfs/dbraw/zinc/01/91/88/966019188.db2.gz LBDAPMDSCGCFEG-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001374842361 966019210 /nfs/dbraw/zinc/01/92/10/966019210.db2.gz LBDAPMDSCGCFEG-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1)N1CCC1 ZINC001376709970 966036102 /nfs/dbraw/zinc/03/61/02/966036102.db2.gz VIWCCTCBENBNMY-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001370360950 966045803 /nfs/dbraw/zinc/04/58/03/966045803.db2.gz AZCWYDNLUUTWOM-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001376744668 966105005 /nfs/dbraw/zinc/10/50/05/966105005.db2.gz IQOKWEOCZAFTOO-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO COc1coc(CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001370519745 966208172 /nfs/dbraw/zinc/20/81/72/966208172.db2.gz OFFYUUXIMSEPSF-HAQNSBGRSA-N 1 3 323.393 0.337 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCC(=O)Nc2ccon2)C1 ZINC001370525013 966213058 /nfs/dbraw/zinc/21/30/58/966213058.db2.gz YRVRDQROJNCZPT-HAQNSBGRSA-N 1 3 323.397 0.192 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001370523807 966213108 /nfs/dbraw/zinc/21/31/08/966213108.db2.gz QADGMPWRSTXDQZ-IHRRRGAJSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375097202 966350685 /nfs/dbraw/zinc/35/06/85/966350685.db2.gz VZSXOHRXRBUNQH-CYBMUJFWSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](NCc1cccc(C(N)=O)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381424083 966403332 /nfs/dbraw/zinc/40/33/32/966403332.db2.gz UTURWONACGBYFG-OLZOCXBDSA-N 1 3 320.437 0.720 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001381435531 966415123 /nfs/dbraw/zinc/41/51/23/966415123.db2.gz HTJKQSFDWCXBLK-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001381468284 966442250 /nfs/dbraw/zinc/44/22/50/966442250.db2.gz JXLPIBNTZMEXFW-LBPRGKRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O)N(C)C ZINC001381471804 966444661 /nfs/dbraw/zinc/44/46/61/966444661.db2.gz YQYPGMAKCOJGAA-VXGBXAGGSA-N 1 3 300.447 0.275 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001370835223 966524298 /nfs/dbraw/zinc/52/42/98/966524298.db2.gz HMVCSAJRKPTRDN-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001370968596 966629285 /nfs/dbraw/zinc/62/92/85/966629285.db2.gz VJGQODSHNAELTH-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001381924162 966784046 /nfs/dbraw/zinc/78/40/46/966784046.db2.gz GAWSQDPJLILGSN-HRCADAONSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001381924162 966784051 /nfs/dbraw/zinc/78/40/51/966784051.db2.gz GAWSQDPJLILGSN-HRCADAONSA-N 1 3 311.470 0.927 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001371205385 966811605 /nfs/dbraw/zinc/81/16/05/966811605.db2.gz SNTHYWPDGUGTIV-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001371207861 966813938 /nfs/dbraw/zinc/81/39/38/966813938.db2.gz YYSQOXPEHQOFAD-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001381965250 966822224 /nfs/dbraw/zinc/82/22/24/966822224.db2.gz DBBCEZHAZSYVCO-BPLDGKMQSA-N 1 3 307.442 0.745 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001382066656 966911344 /nfs/dbraw/zinc/91/13/44/966911344.db2.gz JGPLSCKDEVVLKJ-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001382066656 966911352 /nfs/dbraw/zinc/91/13/52/966911352.db2.gz JGPLSCKDEVVLKJ-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)C)N(C)C ZINC001382156357 966987468 /nfs/dbraw/zinc/98/74/68/966987468.db2.gz GPKYXVYYIRZAEI-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001382165831 966998611 /nfs/dbraw/zinc/99/86/11/966998611.db2.gz MTUIRTLJWPJCCO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCC(=O)N(C)C ZINC001382171190 967002414 /nfs/dbraw/zinc/00/24/14/967002414.db2.gz ZMIGAAHJXAGBHI-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO COc1cc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001371469976 967018809 /nfs/dbraw/zinc/01/88/09/967018809.db2.gz IZSPIBKCWMMLHH-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001371469976 967018817 /nfs/dbraw/zinc/01/88/17/967018817.db2.gz IZSPIBKCWMMLHH-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001371495653 967041765 /nfs/dbraw/zinc/04/17/65/967041765.db2.gz BNQXWKSTFGGCQN-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001371495653 967041777 /nfs/dbraw/zinc/04/17/77/967041777.db2.gz BNQXWKSTFGGCQN-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2ccc(F)cc2)CC[N@@H+]1C ZINC001382208912 967072108 /nfs/dbraw/zinc/07/21/08/967072108.db2.gz MARMAZSVQBIBRH-DAXOMENPSA-N 1 3 323.412 0.733 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001382208912 967072124 /nfs/dbraw/zinc/07/21/24/967072124.db2.gz MARMAZSVQBIBRH-DAXOMENPSA-N 1 3 323.412 0.733 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1)CC(C)(C)C ZINC001371535228 967093560 /nfs/dbraw/zinc/09/35/60/967093560.db2.gz WGNUZZISDJLTNM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001371543543 967104122 /nfs/dbraw/zinc/10/41/22/967104122.db2.gz GMOLEGQMZMLMEC-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001371543543 967104129 /nfs/dbraw/zinc/10/41/29/967104129.db2.gz GMOLEGQMZMLMEC-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001382303334 967187825 /nfs/dbraw/zinc/18/78/25/967187825.db2.gz WDCYGMCAHRIJCQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)CN1C(=O)CN1CCCC1 ZINC001382316138 967209644 /nfs/dbraw/zinc/20/96/44/967209644.db2.gz QWKJDBQFRBXHSB-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC001371816527 967363664 /nfs/dbraw/zinc/36/36/64/967363664.db2.gz VWKJJVOIEDCFQN-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO COc1cc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001371878185 967413967 /nfs/dbraw/zinc/41/39/67/967413967.db2.gz JLFSMYUFLCVVGN-VXGBXAGGSA-N 1 3 310.398 0.619 20 0 DCADHO COc1cc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001371878185 967413974 /nfs/dbraw/zinc/41/39/74/967413974.db2.gz JLFSMYUFLCVVGN-VXGBXAGGSA-N 1 3 310.398 0.619 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001382823041 967686099 /nfs/dbraw/zinc/68/60/99/967686099.db2.gz RBPMLJCORZAZAU-GHMZBOCLSA-N 1 3 309.414 0.222 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448087471 1013744735 /nfs/dbraw/zinc/74/47/35/1013744735.db2.gz JPMYIIDIKHWIMT-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448087471 1013744744 /nfs/dbraw/zinc/74/47/44/1013744744.db2.gz JPMYIIDIKHWIMT-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001372261293 967806875 /nfs/dbraw/zinc/80/68/75/967806875.db2.gz SVYLAIUCRGSZSS-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001372672044 968236542 /nfs/dbraw/zinc/23/65/42/968236542.db2.gz PCYWBZQZLZYGBT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001372672044 968236552 /nfs/dbraw/zinc/23/65/52/968236552.db2.gz PCYWBZQZLZYGBT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373231524 968831787 /nfs/dbraw/zinc/83/17/87/968831787.db2.gz CZDYVAUHVXNFEB-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373231524 968831798 /nfs/dbraw/zinc/83/17/98/968831798.db2.gz CZDYVAUHVXNFEB-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)CCn2cncn2)C1 ZINC001373319296 968935357 /nfs/dbraw/zinc/93/53/57/968935357.db2.gz ZWPUZJLLEMOUAV-HNNXBMFYSA-N 1 3 322.457 0.399 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001373319296 968935364 /nfs/dbraw/zinc/93/53/64/968935364.db2.gz ZWPUZJLLEMOUAV-HNNXBMFYSA-N 1 3 322.457 0.399 20 0 DCADHO CC(C)N(C)CC(=O)NCC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001373560077 969229813 /nfs/dbraw/zinc/22/98/13/969229813.db2.gz MEAYXWSGMZYVAJ-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001448731651 1014014873 /nfs/dbraw/zinc/01/48/73/1014014873.db2.gz WVFCVWBYYZALCX-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001448768454 1014031281 /nfs/dbraw/zinc/03/12/81/1014031281.db2.gz AUFKECXUMXTYJY-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001448973103 1014113822 /nfs/dbraw/zinc/11/38/22/1014113822.db2.gz DRTYNZJRVGXDJH-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001448976965 1014114515 /nfs/dbraw/zinc/11/45/15/1014114515.db2.gz HOAWNBGBSRSICO-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+]([C@H]1CCNC1=O)CC2 ZINC001449009177 1014130729 /nfs/dbraw/zinc/13/07/29/1014130729.db2.gz GJLWSHBJXXZYJV-ZQIUZPCESA-N 1 3 322.453 0.330 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@@H]1[N@H+]([C@H]1CCNC1=O)CC2 ZINC001449009177 1014130733 /nfs/dbraw/zinc/13/07/33/1014130733.db2.gz GJLWSHBJXXZYJV-ZQIUZPCESA-N 1 3 322.453 0.330 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001549132721 1014145419 /nfs/dbraw/zinc/14/54/19/1014145419.db2.gz PXNZDVPQTLVTNY-WYUUTHIRSA-N 1 3 305.369 0.856 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449076119 1014170020 /nfs/dbraw/zinc/17/00/20/1014170020.db2.gz JMFAQGCXGBCFNQ-ZDUSSCGKSA-N 1 3 321.425 0.177 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449076119 1014170024 /nfs/dbraw/zinc/17/00/24/1014170024.db2.gz JMFAQGCXGBCFNQ-ZDUSSCGKSA-N 1 3 321.425 0.177 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001449136592 1014228640 /nfs/dbraw/zinc/22/86/40/1014228640.db2.gz RXDJAJYLYFKBCD-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)CN2CCCC2)CC[N@@H+]1C ZINC001449153309 1014247268 /nfs/dbraw/zinc/24/72/68/1014247268.db2.gz WIPDIFCQCUHNCW-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)CN2CCCC2)CC[N@H+]1C ZINC001449153309 1014247271 /nfs/dbraw/zinc/24/72/71/1014247271.db2.gz WIPDIFCQCUHNCW-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001449185872 1014279508 /nfs/dbraw/zinc/27/95/08/1014279508.db2.gz DMBVXFRULFPXOT-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C(C)(C)C)C1CCC1 ZINC001449292168 1014386227 /nfs/dbraw/zinc/38/62/27/1014386227.db2.gz JWWJZLKDOVVPMT-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)(C)[C@@H](N)C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549724836 1014425391 /nfs/dbraw/zinc/42/53/91/1014425391.db2.gz HPYBTAQNCJKKBD-RISCZKNCSA-N 1 3 305.426 0.609 20 0 DCADHO Cc1nccnc1CNC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001449381805 1014447323 /nfs/dbraw/zinc/44/73/23/1014447323.db2.gz AFJAISIAVQEAQF-UHFFFAOYSA-N 1 3 305.426 0.816 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001449392570 1014454443 /nfs/dbraw/zinc/45/44/43/1014454443.db2.gz GCDGQOKQNWYWNU-LRVUVFPRSA-N 1 3 322.453 0.186 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)cc1 ZINC001549799939 1014460827 /nfs/dbraw/zinc/46/08/27/1014460827.db2.gz VKDZCBQCXUXIRR-KLHDSHLOSA-N 1 3 316.405 0.784 20 0 DCADHO C[C@@H](CC(=O)N1CC[C@H](n2cc(CN)nn2)C1)C1CC[NH2+]CC1 ZINC001550097551 1014567869 /nfs/dbraw/zinc/56/78/69/1014567869.db2.gz YHKGTRIRPTVQCA-WFASDCNBSA-N 1 3 320.441 0.536 20 0 DCADHO O=C(C[C@@H]1CCNC[C@H]1F)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112408 1014576755 /nfs/dbraw/zinc/57/67/55/1014576755.db2.gz BJYUHICHMYVELT-MELADBBJSA-N 1 3 313.417 0.599 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550122795 1014587579 /nfs/dbraw/zinc/58/75/79/1014587579.db2.gz KCDJMTAJSHQYOB-MRVWCRGKSA-N 1 3 304.398 0.121 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001529857700 1014628148 /nfs/dbraw/zinc/62/81/48/1014628148.db2.gz XWLVCQNLHAKPOO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001550290694 1014655260 /nfs/dbraw/zinc/65/52/60/1014655260.db2.gz QXQJYVPUEHECPK-JYJNAYRXSA-N 1 3 300.406 0.562 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449927372 1014792601 /nfs/dbraw/zinc/79/26/01/1014792601.db2.gz TYWCKGOJPWBQEW-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449927372 1014792611 /nfs/dbraw/zinc/79/26/11/1014792611.db2.gz TYWCKGOJPWBQEW-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4CN3)C[C@H]21 ZINC001550753292 1014838816 /nfs/dbraw/zinc/83/88/16/1014838816.db2.gz DEBZWYDTAQYHNP-YHUYYLMFSA-N 1 3 300.406 0.547 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001383717017 985036036 /nfs/dbraw/zinc/03/60/36/985036036.db2.gz LYBCPDUMTNGFNU-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383717017 985036047 /nfs/dbraw/zinc/03/60/47/985036047.db2.gz LYBCPDUMTNGFNU-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001551461961 1015096517 /nfs/dbraw/zinc/09/65/17/1015096517.db2.gz SGZRYURUDSNYRO-LSDHHAIUSA-N 1 3 323.437 0.221 20 0 DCADHO CN(C(=O)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2)[C@H]1CCN(C)C1 ZINC001551543754 1015133281 /nfs/dbraw/zinc/13/32/81/1015133281.db2.gz VRSSJFRDNXECHK-CYZMBNFOSA-N 1 3 320.359 0.874 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@H]1CN3CCC[C@@H]3CO1)CC2 ZINC001551581292 1015145062 /nfs/dbraw/zinc/14/50/62/1015145062.db2.gz MPZKVQBSGABPBX-WCCAFZKYSA-N 1 3 322.453 0.809 20 0 DCADHO [NH3+][C@@H]1CC12CC(NC(=O)N1CCN(CC3CCOCC3)CC1)C2 ZINC001551596984 1015153688 /nfs/dbraw/zinc/15/36/88/1015153688.db2.gz XWOYEYCTMIHDGP-ISXOHVOVSA-N 1 3 322.453 0.620 20 0 DCADHO CC(C)[C@@H](CNC(=O)NC1CC2(C[C@@H]2[NH3+])C1)N1CCN(C)CC1 ZINC001551599147 1015155410 /nfs/dbraw/zinc/15/54/10/1015155410.db2.gz MYUZLIFNHUHAPU-DGNOSDGRSA-N 1 3 323.485 0.437 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001385084812 986078089 /nfs/dbraw/zinc/07/80/89/986078089.db2.gz PKYNJTOTCOTWPZ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001385084812 986078102 /nfs/dbraw/zinc/07/81/02/986078102.db2.gz PKYNJTOTCOTWPZ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C)N(C)C ZINC001385226701 986169004 /nfs/dbraw/zinc/16/90/04/986169004.db2.gz RNYUXUUEMJZVDL-TUVASFSCSA-N 1 3 324.469 0.526 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001385629209 986484246 /nfs/dbraw/zinc/48/42/46/986484246.db2.gz UARIZLWUZGZBLY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001385629209 986484251 /nfs/dbraw/zinc/48/42/51/986484251.db2.gz UARIZLWUZGZBLY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001385779437 986589571 /nfs/dbraw/zinc/58/95/71/986589571.db2.gz TXJUMRHGOKXYTH-AWEZNQCLSA-N 1 3 321.425 0.223 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552157416 1015294689 /nfs/dbraw/zinc/29/46/89/1015294689.db2.gz OWANSSKOLDHGBJ-HOTGVXAUSA-N 1 3 308.470 0.376 20 0 DCADHO Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCCN2CCCC2)cnn1C ZINC001552166716 1015300538 /nfs/dbraw/zinc/30/05/38/1015300538.db2.gz LVYBLUZUCIBHDV-HUUCEWRRSA-N 1 3 305.426 0.244 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001386933893 987512293 /nfs/dbraw/zinc/51/22/93/987512293.db2.gz HRCPLKLAOXKMGW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001386933893 987512298 /nfs/dbraw/zinc/51/22/98/987512298.db2.gz HRCPLKLAOXKMGW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001387144906 987658418 /nfs/dbraw/zinc/65/84/18/987658418.db2.gz NWAJGZHPGHGNFP-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001388684152 988508652 /nfs/dbraw/zinc/50/86/52/988508652.db2.gz ANSYBMPHQYOMHK-GUTXKFCHSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001388724667 988541508 /nfs/dbraw/zinc/54/15/08/988541508.db2.gz JCMDWSZTFPYNCG-SYQHCUMBSA-N 1 3 312.458 0.288 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001388748623 988556426 /nfs/dbraw/zinc/55/64/26/988556426.db2.gz ZTBNYMOYRYAVBS-BIQWYFBQSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C ZINC001388766901 988571316 /nfs/dbraw/zinc/57/13/16/988571316.db2.gz XEUQNCYUTZPSTH-RDBSUJKOSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001389011202 988732420 /nfs/dbraw/zinc/73/24/20/988732420.db2.gz AVVIVBMGZUYLDV-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCCC[NH2+]C2)CC1 ZINC001552422108 1015422655 /nfs/dbraw/zinc/42/26/55/1015422655.db2.gz UIKAQLVMZYAOOB-HNNXBMFYSA-N 1 3 322.453 0.143 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC001389205652 988982091 /nfs/dbraw/zinc/98/20/91/988982091.db2.gz VXIHZFDEKJZBRB-UKRRQHHQSA-N 1 3 314.474 0.534 20 0 DCADHO CC1(C)CNCCN1C(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552683710 1015490657 /nfs/dbraw/zinc/49/06/57/1015490657.db2.gz LBUXNGNGCXQTSS-DGCLKSJQSA-N 1 3 306.414 0.545 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001389883733 989660250 /nfs/dbraw/zinc/66/02/50/989660250.db2.gz IWRXHFAJGDYJEC-RBSFLKMASA-N 1 3 324.469 0.337 20 0 DCADHO CC1(C)CN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CCN1 ZINC001552701484 1015499438 /nfs/dbraw/zinc/49/94/38/1015499438.db2.gz YIEBVABZNXYYAV-DGCLKSJQSA-N 1 3 306.414 0.545 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]21)N(C)C ZINC001390244783 989934198 /nfs/dbraw/zinc/93/41/98/989934198.db2.gz RHVCPFNEUJVZOX-RBZJEDDUSA-N 1 3 311.470 0.780 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@H](C)O)C[C@H]21)N(C)C ZINC001390244783 989934201 /nfs/dbraw/zinc/93/42/01/989934201.db2.gz RHVCPFNEUJVZOX-RBZJEDDUSA-N 1 3 311.470 0.780 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cnn(C)c1 ZINC001390456404 990120197 /nfs/dbraw/zinc/12/01/97/990120197.db2.gz YLVFYSSROFRCRI-IPYPFGDCSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cnn(C)c1 ZINC001390456404 990120199 /nfs/dbraw/zinc/12/01/99/990120199.db2.gz YLVFYSSROFRCRI-IPYPFGDCSA-N 1 3 307.442 0.745 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001390561580 990201471 /nfs/dbraw/zinc/20/14/71/990201471.db2.gz RTIFPWZKYUVGMD-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C(C)C)C2=O)C1 ZINC001390566177 990204173 /nfs/dbraw/zinc/20/41/73/990204173.db2.gz UARWGBKRJXYZQQ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C(C)C)C2=O)C1 ZINC001390566177 990204178 /nfs/dbraw/zinc/20/41/78/990204178.db2.gz UARWGBKRJXYZQQ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1ccnc1CN[C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001390613074 990245450 /nfs/dbraw/zinc/24/54/50/990245450.db2.gz MSDXOUGYYWSDBY-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO Cn1ccnc1CN[C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001390613029 990246174 /nfs/dbraw/zinc/24/61/74/990246174.db2.gz MSDXOUGYYWSDBY-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO COc1cncc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001390717001 990323146 /nfs/dbraw/zinc/32/31/46/990323146.db2.gz CQZQTDKIFAYRHT-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001390717001 990323149 /nfs/dbraw/zinc/32/31/49/990323149.db2.gz CQZQTDKIFAYRHT-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001391220639 990679407 /nfs/dbraw/zinc/67/94/07/990679407.db2.gz AYCXPSFQRRVJRM-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001391221242 990679471 /nfs/dbraw/zinc/67/94/71/990679471.db2.gz IXWYXOYNLZGIOI-GFCCVEGCSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001391354792 990774697 /nfs/dbraw/zinc/77/46/97/990774697.db2.gz NDGFYNWWTSWAHY-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001391354792 990774702 /nfs/dbraw/zinc/77/47/02/990774702.db2.gz NDGFYNWWTSWAHY-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001392076358 991467947 /nfs/dbraw/zinc/46/79/47/991467947.db2.gz OWBMQAOFFKOHBD-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001392081890 991474454 /nfs/dbraw/zinc/47/44/54/991474454.db2.gz YFLVOLLFMRVNGB-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001392160491 991560302 /nfs/dbraw/zinc/56/03/02/991560302.db2.gz CDLVYWFKAIRNLZ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001392160491 991560315 /nfs/dbraw/zinc/56/03/15/991560315.db2.gz CDLVYWFKAIRNLZ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCn1cc(CNC[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001392351031 991793573 /nfs/dbraw/zinc/79/35/73/991793573.db2.gz ZBLUDHCHEBAFIX-HIFRSBDPSA-N 1 3 322.457 0.624 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001392425219 991911212 /nfs/dbraw/zinc/91/12/12/991911212.db2.gz PFJCKJCYDQBKNM-OAHLLOKOSA-N 1 3 318.421 0.053 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001392523222 992043684 /nfs/dbraw/zinc/04/36/84/992043684.db2.gz IEGRQPOSUZQNSU-OLZOCXBDSA-N 1 3 322.457 0.864 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001392523222 992043690 /nfs/dbraw/zinc/04/36/90/992043690.db2.gz IEGRQPOSUZQNSU-OLZOCXBDSA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001392569269 992108857 /nfs/dbraw/zinc/10/88/57/992108857.db2.gz WTUYTFROQUFEGD-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@H](O)CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392696272 992279226 /nfs/dbraw/zinc/27/92/26/992279226.db2.gz SGSXAXOWFCBSGS-ZQDZILKHSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@H](O)CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392696272 992279237 /nfs/dbraw/zinc/27/92/37/992279237.db2.gz SGSXAXOWFCBSGS-ZQDZILKHSA-N 1 3 315.458 0.161 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001392775118 992380637 /nfs/dbraw/zinc/38/06/37/992380637.db2.gz RSVRQEFDUVFEOB-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393249670 992789443 /nfs/dbraw/zinc/78/94/43/992789443.db2.gz JWXAHTWXYLYRGA-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393249670 992789453 /nfs/dbraw/zinc/78/94/53/992789453.db2.gz JWXAHTWXYLYRGA-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001393335540 992892073 /nfs/dbraw/zinc/89/20/73/992892073.db2.gz BAUKCDYNIIRZRX-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001393335540 992892081 /nfs/dbraw/zinc/89/20/81/992892081.db2.gz BAUKCDYNIIRZRX-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001393402242 992948717 /nfs/dbraw/zinc/94/87/17/992948717.db2.gz AWGPHIBMQNWKFA-JOCQHMNTSA-N 1 3 321.425 0.258 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)C(=O)NC ZINC001393521992 993051211 /nfs/dbraw/zinc/05/12/11/993051211.db2.gz BETHMKNVEKQXSY-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NCC(=O)N2CCC2)CCC1 ZINC001393569481 993090937 /nfs/dbraw/zinc/09/09/37/993090937.db2.gz XKUIDRFKWNHPPX-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NCC(=O)N2CCC2)CCC1 ZINC001393569481 993090940 /nfs/dbraw/zinc/09/09/40/993090940.db2.gz XKUIDRFKWNHPPX-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001394389191 993673286 /nfs/dbraw/zinc/67/32/86/993673286.db2.gz JRZLHDMGXBVVII-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001394527522 993798494 /nfs/dbraw/zinc/79/84/94/993798494.db2.gz JYWIBIXAJNCDBT-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001399938285 993961002 /nfs/dbraw/zinc/96/10/02/993961002.db2.gz DMKHVOOLMTYJRC-KGLIPLIRSA-N 1 3 306.410 0.735 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001399938285 993961010 /nfs/dbraw/zinc/96/10/10/993961010.db2.gz DMKHVOOLMTYJRC-KGLIPLIRSA-N 1 3 306.410 0.735 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)[C@@H]1C ZINC001394674568 994008019 /nfs/dbraw/zinc/00/80/19/994008019.db2.gz JCERLBRXKSKWGN-GOEBONIOSA-N 1 3 321.469 0.883 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394705177 994039812 /nfs/dbraw/zinc/03/98/12/994039812.db2.gz ODYDGWSETCMMFI-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CN(C[C@H](O)C[NH2+]Cc1cccnc1)C(=O)CN(C)C1CCC1 ZINC001394746401 994100328 /nfs/dbraw/zinc/10/03/28/994100328.db2.gz YSMIDRHTFZZJEJ-MRXNPFEDSA-N 1 3 320.437 0.475 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(CC(=O)NC3CC3)C2)C1 ZINC001400182861 994246740 /nfs/dbraw/zinc/24/67/40/994246740.db2.gz IVWQAVWUWYIKMB-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(CC(=O)NC3CC3)C2)C1 ZINC001400182861 994246744 /nfs/dbraw/zinc/24/67/44/994246744.db2.gz IVWQAVWUWYIKMB-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001394972314 994319829 /nfs/dbraw/zinc/31/98/29/994319829.db2.gz RLHJGMXBAIJVNV-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001395110961 994440013 /nfs/dbraw/zinc/44/00/13/994440013.db2.gz PZQKWLQWMMLCJU-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1cnnn1C ZINC001400825289 994980017 /nfs/dbraw/zinc/98/00/17/994980017.db2.gz RCAOXHAAPHXIIN-OCCSQVGLSA-N 1 3 310.446 0.386 20 0 DCADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)NC ZINC001400866945 995022813 /nfs/dbraw/zinc/02/28/13/995022813.db2.gz UAWHZHVBKOQCQP-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)N(C)C ZINC001400900703 995048382 /nfs/dbraw/zinc/04/83/82/995048382.db2.gz HVEXKJHUYNSKIO-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C(=O)CN1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001401076240 995153587 /nfs/dbraw/zinc/15/35/87/995153587.db2.gz HVOMSHKOYLXZGL-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CN(C)CCCS(=O)(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001464587664 1015925617 /nfs/dbraw/zinc/92/56/17/1015925617.db2.gz KLOCAAWTYLXGML-CHWSQXEVSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NCC1CC1 ZINC001507062211 1015939152 /nfs/dbraw/zinc/93/91/52/1015939152.db2.gz LSAULTDHMGYEFT-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001396798508 995618987 /nfs/dbraw/zinc/61/89/87/995618987.db2.gz PDEXPNOSEYMLBJ-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001396916253 995681953 /nfs/dbraw/zinc/68/19/53/995681953.db2.gz CPBGOJBATVJCPX-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001396916253 995681961 /nfs/dbraw/zinc/68/19/61/995681961.db2.gz CPBGOJBATVJCPX-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001397128586 995812013 /nfs/dbraw/zinc/81/20/13/995812013.db2.gz JDDKNIMZNZJGHJ-IIAWOOMASA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001397200803 995859008 /nfs/dbraw/zinc/85/90/08/995859008.db2.gz DXGNPVCWCQOVFL-TUVASFSCSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001397200803 995859012 /nfs/dbraw/zinc/85/90/12/995859012.db2.gz DXGNPVCWCQOVFL-TUVASFSCSA-N 1 3 324.469 0.288 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+]CC(=O)NC)C1 ZINC001397773170 996166793 /nfs/dbraw/zinc/16/67/93/996166793.db2.gz MYUMDGMJXPEARP-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC(=O)N2CCC2)C2CC2)CCC1 ZINC001398407842 996504206 /nfs/dbraw/zinc/50/42/06/996504206.db2.gz NTOQSVAVKIHVAM-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001398622087 996609595 /nfs/dbraw/zinc/60/95/95/996609595.db2.gz NRZWUIBITHISSZ-MELADBBJSA-N 1 3 324.469 0.622 20 0 DCADHO CN1CC[C@H](NC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001398758770 996675577 /nfs/dbraw/zinc/67/55/77/996675577.db2.gz ITOPPTHBSMOBES-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001398768076 996679712 /nfs/dbraw/zinc/67/97/12/996679712.db2.gz ZZZADIGFQCHFIY-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001398957973 996775376 /nfs/dbraw/zinc/77/53/76/996775376.db2.gz OEZYZIUAEBXYBI-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001398957973 996775380 /nfs/dbraw/zinc/77/53/80/996775380.db2.gz OEZYZIUAEBXYBI-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001399021477 996844323 /nfs/dbraw/zinc/84/43/23/996844323.db2.gz DLMQZHAROPKCTC-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001399021477 996844340 /nfs/dbraw/zinc/84/43/40/996844340.db2.gz DLMQZHAROPKCTC-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N[C@H]1CCNC1=O ZINC001399030107 996859414 /nfs/dbraw/zinc/85/94/14/996859414.db2.gz QASFOHPXDZUJIO-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N[C@H]1CCNC1=O ZINC001399030107 996859421 /nfs/dbraw/zinc/85/94/21/996859421.db2.gz QASFOHPXDZUJIO-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001399060807 996905806 /nfs/dbraw/zinc/90/58/06/996905806.db2.gz ZKMMQNARJXBLLO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NCc1cnn(C)c1 ZINC001399088752 996940674 /nfs/dbraw/zinc/94/06/74/996940674.db2.gz GXNJINHUOKVKRJ-ZDUSSCGKSA-N 1 3 323.441 0.125 20 0 DCADHO Cn1nccc1CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001404315259 996962011 /nfs/dbraw/zinc/96/20/11/996962011.db2.gz PVTRFZHYXKYWOY-AWEZNQCLSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001404315259 996962017 /nfs/dbraw/zinc/96/20/17/996962017.db2.gz PVTRFZHYXKYWOY-AWEZNQCLSA-N 1 3 319.453 0.495 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001404344952 997015003 /nfs/dbraw/zinc/01/50/03/997015003.db2.gz OPNCPLIHHZMSEQ-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCn2cncn2)C1 ZINC001404565875 997242385 /nfs/dbraw/zinc/24/23/85/997242385.db2.gz FDZDFGQAVDBVDC-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001404565875 997242397 /nfs/dbraw/zinc/24/23/97/997242397.db2.gz FDZDFGQAVDBVDC-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(CC)C1CC1 ZINC001405356752 998146860 /nfs/dbraw/zinc/14/68/60/998146860.db2.gz YXFLUUPSUUQQHH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(CC)C1CC1 ZINC001405356752 998146865 /nfs/dbraw/zinc/14/68/65/998146865.db2.gz YXFLUUPSUUQQHH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H](CO)[NH2+]CC2CC2)c1 ZINC001507266280 1016199262 /nfs/dbraw/zinc/19/92/62/1016199262.db2.gz YDNXAVSLYSJZCL-MRXNPFEDSA-N 1 3 305.422 0.839 20 0 DCADHO CCCN(C)CC(=O)N1CCC(CC[NH2+][C@H](C)C(N)=O)CC1 ZINC001405499834 998278797 /nfs/dbraw/zinc/27/87/97/998278797.db2.gz JFHGPKWKKQIELR-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405580111 998350908 /nfs/dbraw/zinc/35/09/08/998350908.db2.gz KTPHMOSBHQBCQO-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405580111 998350919 /nfs/dbraw/zinc/35/09/19/998350919.db2.gz KTPHMOSBHQBCQO-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001507294883 1016224781 /nfs/dbraw/zinc/22/47/81/1016224781.db2.gz IMTMJGKECHZVQD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO NC(=O)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001405772897 998550708 /nfs/dbraw/zinc/55/07/08/998550708.db2.gz IWVBNMLEOSYELB-UHFFFAOYSA-N 1 3 310.442 0.366 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@H]1C ZINC001507300296 1016231042 /nfs/dbraw/zinc/23/10/42/1016231042.db2.gz ZJEASQDYNDLZKN-HIFRSBDPSA-N 1 3 307.442 0.839 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3ccnn3C)C2)CCC1 ZINC001505501966 1016277586 /nfs/dbraw/zinc/27/75/86/1016277586.db2.gz RMDMZEOPTNXOLP-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001505502113 1016277769 /nfs/dbraw/zinc/27/77/69/1016277769.db2.gz WYWGOXZAPWXYPY-PNESKVBLSA-N 1 3 310.442 0.090 20 0 DCADHO COc1ccc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001418433799 1000215807 /nfs/dbraw/zinc/21/58/07/1000215807.db2.gz XAZYKTWIEOXZNR-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001418433799 1000215809 /nfs/dbraw/zinc/21/58/09/1000215809.db2.gz XAZYKTWIEOXZNR-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO Cc1nc([C@H](C)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001418537357 1000326108 /nfs/dbraw/zinc/32/61/08/1000326108.db2.gz XJGJLOZOGWRFLC-MBNYWOFBSA-N 1 3 322.457 0.952 20 0 DCADHO CCCC[C@H](C(N)=O)N1CCC[C@H]1CNC(=O)CN1CCCC1 ZINC001418643737 1000416678 /nfs/dbraw/zinc/41/66/78/1000416678.db2.gz ACHXJANAGBYZCH-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[C@H](C(N)=O)N1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001418643737 1000416684 /nfs/dbraw/zinc/41/66/84/1000416684.db2.gz ACHXJANAGBYZCH-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418685669 1000450519 /nfs/dbraw/zinc/45/05/19/1000450519.db2.gz RPGLBVFOQRANLD-HDJSIYSDSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)C1CCC1 ZINC001418688415 1000451364 /nfs/dbraw/zinc/45/13/64/1000451364.db2.gz YCIKFHWLBREWCA-HDJSIYSDSA-N 1 3 320.441 0.247 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001418826087 1000553780 /nfs/dbraw/zinc/55/37/80/1000553780.db2.gz HZDDFYLTAKEREA-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001401652289 1000591720 /nfs/dbraw/zinc/59/17/20/1000591720.db2.gz NSRHDMKMUXZBFI-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001401689035 1000629300 /nfs/dbraw/zinc/62/93/00/1000629300.db2.gz XSWKBZLIFRMSTQ-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001401689035 1000629305 /nfs/dbraw/zinc/62/93/05/1000629305.db2.gz XSWKBZLIFRMSTQ-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505677906 1016435354 /nfs/dbraw/zinc/43/53/54/1016435354.db2.gz JYUUMRADHZYTIQ-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(CCCN2CCCC2=O)C1 ZINC001419093417 1000763685 /nfs/dbraw/zinc/76/36/85/1000763685.db2.gz GTESRJZDNDGXMV-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505682531 1016440252 /nfs/dbraw/zinc/44/02/52/1016440252.db2.gz TWFVQVUBZPKHNT-CHWSQXEVSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](NCC(=O)N1CCCC1)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505681858 1016441645 /nfs/dbraw/zinc/44/16/45/1016441645.db2.gz OUYJZFYJJJLZJY-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001419313959 1000967154 /nfs/dbraw/zinc/96/71/54/1000967154.db2.gz YEVPAEYEZIHROH-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001419313959 1000967157 /nfs/dbraw/zinc/96/71/57/1000967157.db2.gz YEVPAEYEZIHROH-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001402061766 1000985333 /nfs/dbraw/zinc/98/53/33/1000985333.db2.gz NXQAPQLSHQMNPA-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC001419378496 1001009574 /nfs/dbraw/zinc/00/95/74/1001009574.db2.gz SNNMRXTWEMRTCX-AJNGGQMLSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001419426377 1001040411 /nfs/dbraw/zinc/04/04/11/1001040411.db2.gz WEGNITQSFUVUGZ-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cnns1 ZINC001419464838 1001072753 /nfs/dbraw/zinc/07/27/53/1001072753.db2.gz BVUGTYPCQTZMIK-NSHDSACASA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(=O)N1CCC1 ZINC001419468843 1001076715 /nfs/dbraw/zinc/07/67/15/1001076715.db2.gz KYYIDVDRPDTTNQ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001419474748 1001082171 /nfs/dbraw/zinc/08/21/71/1001082171.db2.gz KOEKVNFZACQCBV-BETUJISGSA-N 1 3 310.442 0.232 20 0 DCADHO Cn1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001402193300 1001102227 /nfs/dbraw/zinc/10/22/27/1001102227.db2.gz ZBLCUJLNBQUPNK-MRXNPFEDSA-N 1 3 316.409 0.714 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419544566 1001129763 /nfs/dbraw/zinc/12/97/63/1001129763.db2.gz RCAMHVVZLYXNMH-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419544566 1001129770 /nfs/dbraw/zinc/12/97/70/1001129770.db2.gz RCAMHVVZLYXNMH-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001419720466 1001250056 /nfs/dbraw/zinc/25/00/56/1001250056.db2.gz MATDALLWSADENN-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419749431 1001277320 /nfs/dbraw/zinc/27/73/20/1001277320.db2.gz SBDNEBAWWBLCPS-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419749431 1001277325 /nfs/dbraw/zinc/27/73/25/1001277325.db2.gz SBDNEBAWWBLCPS-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2C1)N(C)C ZINC001402427219 1001298083 /nfs/dbraw/zinc/29/80/83/1001298083.db2.gz ZSTCVEBJFPPRMB-WCVJEAGWSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@@H]2C1)N(C)C ZINC001402427219 1001298088 /nfs/dbraw/zinc/29/80/88/1001298088.db2.gz ZSTCVEBJFPPRMB-WCVJEAGWSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001402446708 1001315411 /nfs/dbraw/zinc/31/54/11/1001315411.db2.gz ZCKYZWJWUVLCKM-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001402445822 1001315852 /nfs/dbraw/zinc/31/58/52/1001315852.db2.gz VTHHLYXSIKURPN-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCC[C@@H]1C ZINC001419828083 1001338176 /nfs/dbraw/zinc/33/81/76/1001338176.db2.gz BRRUOQWSGFRBQS-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001402474560 1001343942 /nfs/dbraw/zinc/34/39/42/1001343942.db2.gz JGRMREGDYBJDTC-XDQVBPFNSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H](F)CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001402599796 1001433868 /nfs/dbraw/zinc/43/38/68/1001433868.db2.gz MAAPIYWCHKHMDY-KGLIPLIRSA-N 1 3 313.417 0.647 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CC[C@H](C)O3)C[C@H]21 ZINC001402821086 1001516816 /nfs/dbraw/zinc/51/68/16/1001516816.db2.gz TWUDGMVUVNJTET-LVNYTYFRSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CC[C@H](C)O3)C[C@H]21 ZINC001402821086 1001516822 /nfs/dbraw/zinc/51/68/22/1001516822.db2.gz TWUDGMVUVNJTET-LVNYTYFRSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCO)C2)C1 ZINC001402944273 1001594595 /nfs/dbraw/zinc/59/45/95/1001594595.db2.gz UKWBWBYISGJBML-HZPDHXFCSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001402944273 1001594597 /nfs/dbraw/zinc/59/45/97/1001594597.db2.gz UKWBWBYISGJBML-HZPDHXFCSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N1CCCC1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001403008996 1001630406 /nfs/dbraw/zinc/63/04/06/1001630406.db2.gz LIBWISPTPPTMMT-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001403228024 1001749619 /nfs/dbraw/zinc/74/96/19/1001749619.db2.gz HOPVJDDCYYNOBY-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001403231568 1001752020 /nfs/dbraw/zinc/75/20/20/1001752020.db2.gz NXTKUPVBICGLIY-KKUMJFAQSA-N 1 3 315.458 0.018 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419996653 1001754191 /nfs/dbraw/zinc/75/41/91/1001754191.db2.gz QLFGUXHWVQALDZ-STQMWFEESA-N 1 3 321.425 0.305 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001420143681 1001935619 /nfs/dbraw/zinc/93/56/19/1001935619.db2.gz IJZNKANRSPISDD-INIZCTEOSA-N 1 3 317.433 0.994 20 0 DCADHO C[C@H]([NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001424724612 1001955117 /nfs/dbraw/zinc/95/51/17/1001955117.db2.gz JIQYNZAJVVIPAT-HSBZDZAISA-N 1 3 324.469 0.432 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420195562 1002016709 /nfs/dbraw/zinc/01/67/09/1002016709.db2.gz PFHYCADTUIBHON-HUUCEWRRSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420195562 1002016716 /nfs/dbraw/zinc/01/67/16/1002016716.db2.gz PFHYCADTUIBHON-HUUCEWRRSA-N 1 3 320.437 0.299 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1ccnn1C ZINC001420226534 1002075572 /nfs/dbraw/zinc/07/55/72/1002075572.db2.gz WVQAYZHTIXFOGY-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1ccnn1C ZINC001420226534 1002075586 /nfs/dbraw/zinc/07/55/86/1002075586.db2.gz WVQAYZHTIXFOGY-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N1CCC1 ZINC001403572758 1002157340 /nfs/dbraw/zinc/15/73/40/1002157340.db2.gz AIWMPARHPKNALB-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001420321596 1002221402 /nfs/dbraw/zinc/22/14/02/1002221402.db2.gz NABGCXLXSGZHKY-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403621440 1002225634 /nfs/dbraw/zinc/22/56/34/1002225634.db2.gz CQNQSMVKSRYIQB-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403621440 1002225642 /nfs/dbraw/zinc/22/56/42/1002225642.db2.gz CQNQSMVKSRYIQB-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC001403636789 1002245302 /nfs/dbraw/zinc/24/53/02/1002245302.db2.gz WARSUFPOCGNVGM-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC001403636789 1002245314 /nfs/dbraw/zinc/24/53/14/1002245314.db2.gz WARSUFPOCGNVGM-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001420338682 1002246884 /nfs/dbraw/zinc/24/68/84/1002246884.db2.gz MLGMBYBWWINRHZ-GHMZBOCLSA-N 1 3 308.430 0.610 20 0 DCADHO Cc1ncsc1CCN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420343672 1002253777 /nfs/dbraw/zinc/25/37/77/1002253777.db2.gz HLJXEHHAFWGICC-ZDUSSCGKSA-N 1 3 310.467 0.994 20 0 DCADHO Cc1ncsc1CCN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420343672 1002253783 /nfs/dbraw/zinc/25/37/83/1002253783.db2.gz HLJXEHHAFWGICC-ZDUSSCGKSA-N 1 3 310.467 0.994 20 0 DCADHO CN(CC(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1)C1CCC1 ZINC001403672869 1002322416 /nfs/dbraw/zinc/32/24/16/1002322416.db2.gz QGPYZOQEEOGGMU-HNNXBMFYSA-N 1 3 305.422 0.738 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H](CN[C@@H]2CCNC2=O)C(C)(C)C)CC1 ZINC001508016796 1016611410 /nfs/dbraw/zinc/61/14/10/1016611410.db2.gz YFDHTCAZDCARCQ-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C(C)(C)C ZINC001508035532 1016616681 /nfs/dbraw/zinc/61/66/81/1016616681.db2.gz LWVUAWBPGLXWHH-CYBMUJFWSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001420446165 1002430427 /nfs/dbraw/zinc/43/04/27/1002430427.db2.gz HPDMBCQKLUZFFN-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001420446165 1002430437 /nfs/dbraw/zinc/43/04/37/1002430437.db2.gz HPDMBCQKLUZFFN-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NC(C)(C)C)CN1C(=O)CC[NH+](C)C ZINC001403745330 1002457542 /nfs/dbraw/zinc/45/75/42/1002457542.db2.gz NNUWFHLEANPSGW-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001403750550 1002465844 /nfs/dbraw/zinc/46/58/44/1002465844.db2.gz KVRNBCZSNIHZBF-KGLIPLIRSA-N 1 3 315.458 0.208 20 0 DCADHO C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(CCO)C1 ZINC001425247806 1002477242 /nfs/dbraw/zinc/47/72/42/1002477242.db2.gz PESMUPJHQPTNRO-LRDDRELGSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CN(CCO)C1 ZINC001425247806 1002477244 /nfs/dbraw/zinc/47/72/44/1002477244.db2.gz PESMUPJHQPTNRO-LRDDRELGSA-N 1 3 315.433 0.628 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001403800654 1002540363 /nfs/dbraw/zinc/54/03/63/1002540363.db2.gz DZKDRQJUTRJMQV-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001403800652 1002542359 /nfs/dbraw/zinc/54/23/59/1002542359.db2.gz DZKDRQJUTRJMQV-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001420684729 1002798034 /nfs/dbraw/zinc/79/80/34/1002798034.db2.gz PAMLMAFNQAPTRN-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001425630289 1002911148 /nfs/dbraw/zinc/91/11/48/1002911148.db2.gz OYWVGCGXPJOSAX-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001420765799 1002926804 /nfs/dbraw/zinc/92/68/04/1002926804.db2.gz WMQYNHCTMSLKIM-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001404082816 1002988230 /nfs/dbraw/zinc/98/82/30/1002988230.db2.gz UQIROEVMONXSSM-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001405826589 1003116445 /nfs/dbraw/zinc/11/64/45/1003116445.db2.gz FNDXSMPOLCQTTH-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001405845412 1003134856 /nfs/dbraw/zinc/13/48/56/1003134856.db2.gz BDSVUBLAIUGNLD-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCCC(F)(F)F)C1 ZINC001425837274 1003165394 /nfs/dbraw/zinc/16/53/94/1003165394.db2.gz QSFHNSOJZCDLJB-GHMZBOCLSA-N 1 3 311.348 0.347 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCCC(F)(F)F)C1 ZINC001425837274 1003165398 /nfs/dbraw/zinc/16/53/98/1003165398.db2.gz QSFHNSOJZCDLJB-GHMZBOCLSA-N 1 3 311.348 0.347 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C[C@@H]1C ZINC001425886287 1003221400 /nfs/dbraw/zinc/22/14/00/1003221400.db2.gz IZOGNTMHMBUTGI-GJZGRUSLSA-N 1 3 307.442 0.802 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cn(C)nn2)[C@@H](C)C1 ZINC001405967054 1003228459 /nfs/dbraw/zinc/22/84/59/1003228459.db2.gz JRDAAOPWLKIHMC-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cn(C)nn2)[C@@H](C)C1 ZINC001405967054 1003228467 /nfs/dbraw/zinc/22/84/67/1003228467.db2.gz JRDAAOPWLKIHMC-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cnnn1C ZINC001406042834 1003291329 /nfs/dbraw/zinc/29/13/29/1003291329.db2.gz NSACWXGYPNDLBO-CQSZACIVSA-N 1 3 322.457 0.387 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001425970577 1003295612 /nfs/dbraw/zinc/29/56/12/1003295612.db2.gz JNAQGANLEAAPHQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001421218666 1003454584 /nfs/dbraw/zinc/45/45/84/1003454584.db2.gz IXONOUZOFQMFGN-DOTOQJQBSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001421218666 1003454587 /nfs/dbraw/zinc/45/45/87/1003454587.db2.gz IXONOUZOFQMFGN-DOTOQJQBSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001421218677 1003454881 /nfs/dbraw/zinc/45/48/81/1003454881.db2.gz IXONOUZOFQMFGN-WBVHZDCISA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001421218677 1003454886 /nfs/dbraw/zinc/45/48/86/1003454886.db2.gz IXONOUZOFQMFGN-WBVHZDCISA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001406251525 1003528386 /nfs/dbraw/zinc/52/83/86/1003528386.db2.gz ACRAMCIUXRRRPG-LSDHHAIUSA-N 1 3 308.426 0.235 20 0 DCADHO CC1CC(C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001406257290 1003536749 /nfs/dbraw/zinc/53/67/49/1003536749.db2.gz PFIQBRBFEARACZ-NRXISQOPSA-N 1 3 311.470 0.974 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001406319526 1003601332 /nfs/dbraw/zinc/60/13/32/1003601332.db2.gz QYLZWRZMLSBUGB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001406334914 1003615943 /nfs/dbraw/zinc/61/59/43/1003615943.db2.gz CNAAFZJVWNGQAZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406334914 1003615947 /nfs/dbraw/zinc/61/59/47/1003615947.db2.gz CNAAFZJVWNGQAZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001426163104 1003631753 /nfs/dbraw/zinc/63/17/53/1003631753.db2.gz IVRFHEFMLQFFKV-JSGCOSHPSA-N 1 3 322.457 0.387 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001426163104 1003631756 /nfs/dbraw/zinc/63/17/56/1003631756.db2.gz IVRFHEFMLQFFKV-JSGCOSHPSA-N 1 3 322.457 0.387 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccccc1CC[NH+](C)C ZINC001406365807 1003645764 /nfs/dbraw/zinc/64/57/64/1003645764.db2.gz HUWHUXJBTYWIFL-CHWSQXEVSA-N 1 3 320.437 0.372 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001406399292 1003681008 /nfs/dbraw/zinc/68/10/08/1003681008.db2.gz JPHGCKCIHFJRCO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406483073 1003754499 /nfs/dbraw/zinc/75/44/99/1003754499.db2.gz OPJBBXXRAUZWPY-WFASDCNBSA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001406498873 1003766879 /nfs/dbraw/zinc/76/68/79/1003766879.db2.gz MJRXXKWAKOTMTJ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406543938 1003814361 /nfs/dbraw/zinc/81/43/61/1003814361.db2.gz LNPAKWCLPLSFKA-JSGCOSHPSA-N 1 3 322.457 0.543 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406543938 1003814373 /nfs/dbraw/zinc/81/43/73/1003814373.db2.gz LNPAKWCLPLSFKA-JSGCOSHPSA-N 1 3 322.457 0.543 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001406561504 1003845019 /nfs/dbraw/zinc/84/50/19/1003845019.db2.gz ODJBOHPRQLVANO-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)[C@@H]1CCCN1C ZINC001426731445 1003991877 /nfs/dbraw/zinc/99/18/77/1003991877.db2.gz GSYCNAHUJNHFKT-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@H]2CCCOC2)CC1 ZINC001406996933 1004295279 /nfs/dbraw/zinc/29/52/79/1004295279.db2.gz XSVCGIWIUREHHK-CYBMUJFWSA-N 1 3 306.410 0.926 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@@H](C)OC)CCOCC1)N(C)C ZINC001407308071 1004532872 /nfs/dbraw/zinc/53/28/72/1004532872.db2.gz PPYHYQJUTZKIGB-KGLIPLIRSA-N 1 3 315.458 0.617 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001427779427 1004601894 /nfs/dbraw/zinc/60/18/94/1004601894.db2.gz HEUSUFKDUBRTRF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001427779427 1004601900 /nfs/dbraw/zinc/60/19/00/1004601900.db2.gz HEUSUFKDUBRTRF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cnns1 ZINC001408228014 1005116922 /nfs/dbraw/zinc/11/69/22/1005116922.db2.gz AFXGRRAQZWAKNC-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cnns1 ZINC001408228014 1005116923 /nfs/dbraw/zinc/11/69/23/1005116923.db2.gz AFXGRRAQZWAKNC-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001415326003 1005502974 /nfs/dbraw/zinc/50/29/74/1005502974.db2.gz JHKDRMYBQISLCG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001415326003 1005502977 /nfs/dbraw/zinc/50/29/77/1005502977.db2.gz JHKDRMYBQISLCG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001415773035 1005609523 /nfs/dbraw/zinc/60/95/23/1005609523.db2.gz RVKNPBQUHNRAJW-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001415773035 1005609525 /nfs/dbraw/zinc/60/95/25/1005609525.db2.gz RVKNPBQUHNRAJW-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001473893538 1016986664 /nfs/dbraw/zinc/98/66/64/1016986664.db2.gz QOWLTCJSZWJNHP-IRXDYDNUSA-N 1 3 313.486 0.325 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001473893538 1016986678 /nfs/dbraw/zinc/98/66/78/1016986678.db2.gz QOWLTCJSZWJNHP-IRXDYDNUSA-N 1 3 313.486 0.325 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CN2CCCC2)C1)[NH+](CC)CC ZINC001416049186 1005656144 /nfs/dbraw/zinc/65/61/44/1005656144.db2.gz JNFGHDBDPSLYGG-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001416488043 1005705981 /nfs/dbraw/zinc/70/59/81/1005705981.db2.gz YSPVLPNZVWWGBW-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001417072989 1005779265 /nfs/dbraw/zinc/77/92/65/1005779265.db2.gz IKXVCJPPNCHETN-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001417076345 1005779742 /nfs/dbraw/zinc/77/97/42/1005779742.db2.gz YDJNQBVPAVUSFA-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)C1)[NH+](C)C ZINC001418040542 1005970043 /nfs/dbraw/zinc/97/00/43/1005970043.db2.gz IDLULAMHKBUWCI-SNPRPXQTSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001418099688 1006038238 /nfs/dbraw/zinc/03/82/38/1006038238.db2.gz ZEKIEUUUIDDHFK-LXTVHRRPSA-N 1 3 324.469 0.573 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001438711400 1006055706 /nfs/dbraw/zinc/05/57/06/1006055706.db2.gz HISHRPUFUGHRQK-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438711898 1006061273 /nfs/dbraw/zinc/06/12/73/1006061273.db2.gz UPFINYLNNXTSHK-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001438744669 1006090596 /nfs/dbraw/zinc/09/05/96/1006090596.db2.gz VXGNQFTXVCFPRP-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cnns1 ZINC001438762886 1006100610 /nfs/dbraw/zinc/10/06/10/1006100610.db2.gz CIZWCOMZDWRRJD-WCQYABFASA-N 1 3 311.455 0.816 20 0 DCADHO CNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001438776493 1006109506 /nfs/dbraw/zinc/10/95/06/1006109506.db2.gz RSYCKOUACPGBGA-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001436380234 1006151937 /nfs/dbraw/zinc/15/19/37/1006151937.db2.gz SGOJOYKOYLUBQX-JHJVBQTASA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001418221930 1006194207 /nfs/dbraw/zinc/19/42/07/1006194207.db2.gz OPDWSLAHUOIGHI-GDBMZVCRSA-N 1 3 321.469 0.930 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418232998 1006214581 /nfs/dbraw/zinc/21/45/81/1006214581.db2.gz CASQMILOUUHQKU-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC1CCCC1 ZINC001418265697 1006271514 /nfs/dbraw/zinc/27/15/14/1006271514.db2.gz HYOAAGHWEBNDMN-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N(C)C ZINC001418276507 1006290466 /nfs/dbraw/zinc/29/04/66/1006290466.db2.gz QJRQMUGNAGVUBZ-LBPRGKRZSA-N 1 3 300.447 0.147 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001418300983 1006331359 /nfs/dbraw/zinc/33/13/59/1006331359.db2.gz KSUKRKFFHQYIRB-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001418300983 1006331371 /nfs/dbraw/zinc/33/13/71/1006331371.db2.gz KSUKRKFFHQYIRB-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001418303336 1006336773 /nfs/dbraw/zinc/33/67/73/1006336773.db2.gz NKFUEVQDVRGKFA-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001418303336 1006336782 /nfs/dbraw/zinc/33/67/82/1006336782.db2.gz NKFUEVQDVRGKFA-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001418318834 1006363729 /nfs/dbraw/zinc/36/37/29/1006363729.db2.gz QHXQKDHLZUIKEZ-BBRMVZONSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC(=O)NC2CC2)C2CC2)C1 ZINC001436805687 1006381124 /nfs/dbraw/zinc/38/11/24/1006381124.db2.gz IQKHAJVNIPJGOF-WFASDCNBSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001418335200 1006396446 /nfs/dbraw/zinc/39/64/46/1006396446.db2.gz IDSHITHLTFJHKI-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001418335200 1006396453 /nfs/dbraw/zinc/39/64/53/1006396453.db2.gz IDSHITHLTFJHKI-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001418340958 1006404264 /nfs/dbraw/zinc/40/42/64/1006404264.db2.gz ADBNEILOPASTLC-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001418348607 1006413264 /nfs/dbraw/zinc/41/32/64/1006413264.db2.gz HHPZVAMMUXWSTB-CQSZACIVSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001436965023 1006488274 /nfs/dbraw/zinc/48/82/74/1006488274.db2.gz HXXXHOXCTZXEMC-RQJABVFESA-N 1 3 310.442 0.042 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001439274333 1006646040 /nfs/dbraw/zinc/64/60/40/1006646040.db2.gz LCIQCSGIQQTHJQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001439284394 1006656064 /nfs/dbraw/zinc/65/60/64/1006656064.db2.gz IGTKUEQFDVUTFO-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001437316863 1006836920 /nfs/dbraw/zinc/83/69/20/1006836920.db2.gz YLBDZAVLGPFVLD-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CCCC[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001437335872 1006854747 /nfs/dbraw/zinc/85/47/47/1006854747.db2.gz ZYBGOHWPSCAWSQ-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1cnns1 ZINC001437400167 1006920600 /nfs/dbraw/zinc/92/06/00/1006920600.db2.gz GAVBSTNLFLSSGW-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NCc1cnns1 ZINC001437400167 1006920613 /nfs/dbraw/zinc/92/06/13/1006920613.db2.gz GAVBSTNLFLSSGW-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N(C)C1CC1 ZINC001439783666 1007194295 /nfs/dbraw/zinc/19/42/95/1007194295.db2.gz LVKCSNPHWCJOOW-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N(C)C1CC1 ZINC001439783666 1007194300 /nfs/dbraw/zinc/19/43/00/1007194300.db2.gz LVKCSNPHWCJOOW-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437718914 1007302846 /nfs/dbraw/zinc/30/28/46/1007302846.db2.gz FVSJKYXRTMWMOW-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)N1CCCCC1 ZINC001437830192 1007440377 /nfs/dbraw/zinc/44/03/77/1007440377.db2.gz RNLKJXNUSFLCLQ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001437830658 1007442810 /nfs/dbraw/zinc/44/28/10/1007442810.db2.gz BEWGSYBKFILSDB-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001437830658 1007442815 /nfs/dbraw/zinc/44/28/15/1007442815.db2.gz BEWGSYBKFILSDB-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001440109560 1007495832 /nfs/dbraw/zinc/49/58/32/1007495832.db2.gz ADNHNTUSTMDMRO-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001440138806 1007518176 /nfs/dbraw/zinc/51/81/76/1007518176.db2.gz XQCLSJWUWQDGTJ-UONOGXRCSA-N 1 3 307.442 0.556 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001440289238 1007645248 /nfs/dbraw/zinc/64/52/48/1007645248.db2.gz JNILEHMIUPZAGQ-SOUVJXGZSA-N 1 3 309.454 0.992 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001440315862 1007665171 /nfs/dbraw/zinc/66/51/71/1007665171.db2.gz ZTBNYMOYRYAVBS-NMWPEEMBSA-N 1 3 324.469 0.480 20 0 DCADHO CN1CC[C@H](N2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001440395540 1007724993 /nfs/dbraw/zinc/72/49/93/1007724993.db2.gz NNISWHVJLIPMNC-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCC1([NH2+]CC(=O)N(C)C)CCN(C(=O)CN2CCCC2)CC1 ZINC001440540918 1007873112 /nfs/dbraw/zinc/87/31/12/1007873112.db2.gz VSFPZNWVCIPCMW-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001440606293 1007915216 /nfs/dbraw/zinc/91/52/16/1007915216.db2.gz IPPUOQYCDVURLL-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001438460006 1007921414 /nfs/dbraw/zinc/92/14/14/1007921414.db2.gz NEYQLHXYEJQILP-BFHYXJOUSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001440669917 1007949206 /nfs/dbraw/zinc/94/92/06/1007949206.db2.gz AHDGDJIGPJLAFE-BFHYXJOUSA-N 1 3 314.474 0.534 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001440861711 1008077554 /nfs/dbraw/zinc/07/75/54/1008077554.db2.gz PJBHNOFWKROWSH-QWHCGFSZSA-N 1 3 320.437 0.591 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccnn1C)N(C)C ZINC001440993404 1008164724 /nfs/dbraw/zinc/16/47/24/1008164724.db2.gz COHWQGJPOCGPDF-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001440993404 1008164728 /nfs/dbraw/zinc/16/47/28/1008164728.db2.gz COHWQGJPOCGPDF-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CCCC[C@H](CNCC(=O)NC)NC(=O)C1CC[NH+](C)CC1 ZINC001441118293 1008227483 /nfs/dbraw/zinc/22/74/83/1008227483.db2.gz NCOXTBVSAFXUKH-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248285 1008290165 /nfs/dbraw/zinc/29/01/65/1008290165.db2.gz AAGKAJGCWLPXLK-ZBFHGGJFSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248285 1008290168 /nfs/dbraw/zinc/29/01/68/1008290168.db2.gz AAGKAJGCWLPXLK-ZBFHGGJFSA-N 1 3 319.453 0.665 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1)C(N)=O ZINC001441342372 1008326892 /nfs/dbraw/zinc/32/68/92/1008326892.db2.gz ZSGSQPDJRWFUGK-MELADBBJSA-N 1 3 312.458 0.561 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)CC2CC2)C1 ZINC001441356494 1008332214 /nfs/dbraw/zinc/33/22/14/1008332214.db2.gz XOYFNMJRIVLSCM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)CC2CC2)C1 ZINC001441356494 1008332216 /nfs/dbraw/zinc/33/22/16/1008332216.db2.gz XOYFNMJRIVLSCM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCC(N(C)CC(N)=O)CC1)[NH+](CC)CC ZINC001441382947 1008340883 /nfs/dbraw/zinc/34/08/83/1008340883.db2.gz CJSHRDTZVXAPJF-CQSZACIVSA-N 1 3 312.458 0.515 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)NC1CC1 ZINC001441387372 1008341773 /nfs/dbraw/zinc/34/17/73/1008341773.db2.gz XBNPDUAQPARMLY-UBHSHLNASA-N 1 3 322.453 0.375 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NCC1CC1 ZINC001441585153 1008413814 /nfs/dbraw/zinc/41/38/14/1008413814.db2.gz LSAULTDHMGYEFT-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@H](N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001441637287 1008432531 /nfs/dbraw/zinc/43/25/31/1008432531.db2.gz AUBWSQHCWKQZCE-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1[C@H](NCc2ccnn2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441818933 1008516543 /nfs/dbraw/zinc/51/65/43/1008516543.db2.gz HOBXQUBPRZHGPD-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001441822645 1008521129 /nfs/dbraw/zinc/52/11/29/1008521129.db2.gz LLGCYPIXCFTUQQ-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+][C@H](C)C(N)=O)CC1 ZINC001421582537 1008755491 /nfs/dbraw/zinc/75/54/91/1008755491.db2.gz UMKLBJARXHRJTI-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C[C@@H](O)CNCc1ccns1)C(=O)CC[NH+](C)C ZINC001441999447 1008781477 /nfs/dbraw/zinc/78/14/77/1008781477.db2.gz PORVEURSYVOUQY-NSHDSACASA-N 1 3 300.428 0.004 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001433545360 1008925688 /nfs/dbraw/zinc/92/56/88/1008925688.db2.gz FWWFOQATVLZAIH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001433545360 1008925702 /nfs/dbraw/zinc/92/57/02/1008925702.db2.gz FWWFOQATVLZAIH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001421687558 1008932595 /nfs/dbraw/zinc/93/25/95/1008932595.db2.gz NFCHPTPCELWGAD-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001442108600 1008977414 /nfs/dbraw/zinc/97/74/14/1008977414.db2.gz DAGUFOUEGHGZQM-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001442108600 1008977420 /nfs/dbraw/zinc/97/74/20/1008977420.db2.gz DAGUFOUEGHGZQM-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1C ZINC001421750533 1009033319 /nfs/dbraw/zinc/03/33/19/1009033319.db2.gz BKXPVWIKJIURNN-HIFRSBDPSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001421750533 1009033340 /nfs/dbraw/zinc/03/33/40/1009033340.db2.gz BKXPVWIKJIURNN-HIFRSBDPSA-N 1 3 321.469 0.912 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001442166557 1009041874 /nfs/dbraw/zinc/04/18/74/1009041874.db2.gz ZTBMKNXONBZEJB-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C(C)(C)C)C1 ZINC001442169452 1009047265 /nfs/dbraw/zinc/04/72/65/1009047265.db2.gz DATRWDYIJVDOLT-GXTWGEPZSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C(C)(C)C)C1 ZINC001442169452 1009047280 /nfs/dbraw/zinc/04/72/80/1009047280.db2.gz DATRWDYIJVDOLT-GXTWGEPZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCc2cnn(C)c2)CC[N@@H+]1C ZINC001442407611 1009278325 /nfs/dbraw/zinc/27/83/25/1009278325.db2.gz AZTAOWSTBCGGQO-UKRRQHHQSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCc2cnn(C)c2)CC[N@H+]1C ZINC001442407611 1009278338 /nfs/dbraw/zinc/27/83/38/1009278338.db2.gz AZTAOWSTBCGGQO-UKRRQHHQSA-N 1 3 307.442 0.351 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001422036284 1009422381 /nfs/dbraw/zinc/42/23/81/1009422381.db2.gz XVEKBFIIUDELAE-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001422060670 1009444095 /nfs/dbraw/zinc/44/40/95/1009444095.db2.gz JXERKDQKERCGRC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]C[C@@H](C)OC)CC1 ZINC001422110252 1009494665 /nfs/dbraw/zinc/49/46/65/1009494665.db2.gz ZDLKSNPGVLQIAJ-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001434074190 1009527323 /nfs/dbraw/zinc/52/73/23/1009527323.db2.gz ZTDQWKTUFZBBLQ-UKRRQHHQSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001434074190 1009527327 /nfs/dbraw/zinc/52/73/27/1009527327.db2.gz ZTDQWKTUFZBBLQ-UKRRQHHQSA-N 1 3 324.469 0.336 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN1CCC(C)CC1 ZINC001422455206 1010110848 /nfs/dbraw/zinc/11/08/48/1010110848.db2.gz WBVSWQFRNXFTEI-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NCC(=O)N(C)C ZINC001422457479 1010113390 /nfs/dbraw/zinc/11/33/90/1010113390.db2.gz RMTJOHYPYZYBAR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001443073508 1010114278 /nfs/dbraw/zinc/11/42/78/1010114278.db2.gz FGTCNPHKGMTGLD-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001443073508 1010114290 /nfs/dbraw/zinc/11/42/90/1010114290.db2.gz FGTCNPHKGMTGLD-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCn1cccn1 ZINC001422511221 1010210826 /nfs/dbraw/zinc/21/08/26/1010210826.db2.gz YTQHPZWVMYWZPS-RRFJBIMHSA-N 1 3 307.442 0.660 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCn1cccn1 ZINC001422511221 1010210830 /nfs/dbraw/zinc/21/08/30/1010210830.db2.gz YTQHPZWVMYWZPS-RRFJBIMHSA-N 1 3 307.442 0.660 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001443336312 1010346652 /nfs/dbraw/zinc/34/66/52/1010346652.db2.gz RJGQOCMHMOINBB-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001443336312 1010346667 /nfs/dbraw/zinc/34/66/67/1010346667.db2.gz RJGQOCMHMOINBB-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CCCC[C@H](CNCC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001422692540 1010494983 /nfs/dbraw/zinc/49/49/83/1010494983.db2.gz RSRRMYGRIDKEPZ-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001422879196 1010697875 /nfs/dbraw/zinc/69/78/75/1010697875.db2.gz POMDECHVQUZDEC-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)CCc1cnn(C)c1 ZINC001422913365 1010732070 /nfs/dbraw/zinc/73/20/70/1010732070.db2.gz BEIUJHDZWNVYLP-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CCc1cnn(C)c1 ZINC001422913365 1010732078 /nfs/dbraw/zinc/73/20/78/1010732078.db2.gz BEIUJHDZWNVYLP-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO Cn1cnnc1CNC[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001422937377 1010757005 /nfs/dbraw/zinc/75/70/05/1010757005.db2.gz PFJLCRTVULTMJM-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1n[nH]c(C)n1 ZINC001443973357 1010783885 /nfs/dbraw/zinc/78/38/85/1010783885.db2.gz QRVHQINLRGNEDY-FPMFFAJLSA-N 1 3 322.457 0.828 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1n[nH]c(C)n1 ZINC001443973357 1010783889 /nfs/dbraw/zinc/78/38/89/1010783889.db2.gz QRVHQINLRGNEDY-FPMFFAJLSA-N 1 3 322.457 0.828 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccnn1C ZINC001443989682 1010792779 /nfs/dbraw/zinc/79/27/79/1010792779.db2.gz UQEDNOQUEYIILU-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC[NH+]1CCC(CN2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC001423038806 1010828668 /nfs/dbraw/zinc/82/86/68/1010828668.db2.gz GHZQXXZJPZLQNI-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001423042321 1010834366 /nfs/dbraw/zinc/83/43/66/1010834366.db2.gz DSTHGWPZQVDVIV-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001444106942 1010858695 /nfs/dbraw/zinc/85/86/95/1010858695.db2.gz DFJIBYOZSGGFIQ-CJNGLKHVSA-N 1 3 310.442 0.219 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001423078947 1010868468 /nfs/dbraw/zinc/86/84/68/1010868468.db2.gz PEAZBXDDZHDDAJ-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1cnnn1C)C1CC1)N(C)C ZINC001444129163 1010873053 /nfs/dbraw/zinc/87/30/53/1010873053.db2.gz KPLNJTHABLAIEY-GDBMZVCRSA-N 1 3 322.457 0.530 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001423164769 1010933863 /nfs/dbraw/zinc/93/38/63/1010933863.db2.gz VEEICDDOPXUICZ-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001423173796 1010943813 /nfs/dbraw/zinc/94/38/13/1010943813.db2.gz RDOFHGWCXULVEO-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001423276494 1011039713 /nfs/dbraw/zinc/03/97/13/1011039713.db2.gz WUGKIYHIMKCOHH-MELADBBJSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001423276494 1011039715 /nfs/dbraw/zinc/03/97/15/1011039715.db2.gz WUGKIYHIMKCOHH-MELADBBJSA-N 1 3 322.453 0.234 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001423294662 1011054564 /nfs/dbraw/zinc/05/45/64/1011054564.db2.gz RJWXSKPWLQQDHN-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001423294662 1011054567 /nfs/dbraw/zinc/05/45/67/1011054567.db2.gz RJWXSKPWLQQDHN-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001423318524 1011073301 /nfs/dbraw/zinc/07/33/01/1011073301.db2.gz CFLNSSODCQUNNT-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001444625272 1011100941 /nfs/dbraw/zinc/10/09/41/1011100941.db2.gz IIAPPHXCYWOMGV-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001423401010 1011125065 /nfs/dbraw/zinc/12/50/65/1011125065.db2.gz IQCVWDKFDOHQRF-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001444724347 1011147304 /nfs/dbraw/zinc/14/73/04/1011147304.db2.gz SBNFLGYTZVHLRD-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001444799365 1011176115 /nfs/dbraw/zinc/17/61/15/1011176115.db2.gz LPWQATKCHDNHTJ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN(C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001444842743 1011184822 /nfs/dbraw/zinc/18/48/22/1011184822.db2.gz UPXGEMUHDHKWAU-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)CN(C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001444842743 1011184826 /nfs/dbraw/zinc/18/48/26/1011184826.db2.gz UPXGEMUHDHKWAU-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001456363040 1011220279 /nfs/dbraw/zinc/22/02/79/1011220279.db2.gz YCHSCQFPGXRQFU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001456363040 1011220290 /nfs/dbraw/zinc/22/02/90/1011220290.db2.gz YCHSCQFPGXRQFU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2ccns2)CC[N@@H+]1C ZINC001445190374 1011498523 /nfs/dbraw/zinc/49/85/23/1011498523.db2.gz QMHQBWZMFINUBD-NQBHXWOUSA-N 1 3 312.439 0.050 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2ccns2)CC[N@H+]1C ZINC001445190374 1011498530 /nfs/dbraw/zinc/49/85/30/1011498530.db2.gz QMHQBWZMFINUBD-NQBHXWOUSA-N 1 3 312.439 0.050 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001445433040 1011768594 /nfs/dbraw/zinc/76/85/94/1011768594.db2.gz FSHPNGMQVJLCLI-QWHCGFSZSA-N 1 3 322.457 0.543 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001445433040 1011768607 /nfs/dbraw/zinc/76/86/07/1011768607.db2.gz FSHPNGMQVJLCLI-QWHCGFSZSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@@H](C[NH2+]C[C@H]1CCNC(=O)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001445556402 1011923218 /nfs/dbraw/zinc/92/32/18/1011923218.db2.gz CEZWQYTVDFXXML-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001445573671 1011948622 /nfs/dbraw/zinc/94/86/22/1011948622.db2.gz FUKPPJFYXBNRPL-NWANDNLSSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001535872365 1011994575 /nfs/dbraw/zinc/99/45/75/1011994575.db2.gz VUNMHNJUAYFDLC-UHFFFAOYSA-N 1 3 321.425 0.367 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)CC1(C)C ZINC001553479849 1012013929 /nfs/dbraw/zinc/01/39/29/1012013929.db2.gz MBGLTBXUMDSQFK-RHSMWYFYSA-N 1 3 323.485 0.454 20 0 DCADHO [NH3+][C@]1(c2ccccc2)CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC001553500117 1012037583 /nfs/dbraw/zinc/03/75/83/1012037583.db2.gz BSAWHKUTJIHUQM-GOEBONIOSA-N 1 3 304.394 0.244 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553507898 1012047666 /nfs/dbraw/zinc/04/76/66/1012047666.db2.gz PWBCOSLSUNJLHS-QLFBSQMISA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1C[C@@]23C[NH2+]C[C@]2(C1)CCCC3 ZINC001553506243 1012048550 /nfs/dbraw/zinc/04/85/50/1012048550.db2.gz UPTQYAQMYLCFOO-BMFZPTHFSA-N 1 3 308.426 0.150 20 0 DCADHO CCC(CC)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445643778 1012053256 /nfs/dbraw/zinc/05/32/56/1012053256.db2.gz CCYLBIASQFWJDN-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553531482 1012082732 /nfs/dbraw/zinc/08/27/32/1012082732.db2.gz PXBCQDSNXLUEDW-KBXIAJHMSA-N 1 3 310.442 0.083 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001424193234 1012150208 /nfs/dbraw/zinc/15/02/08/1012150208.db2.gz AZRKJKQXVKDUHH-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001458543566 1012212219 /nfs/dbraw/zinc/21/22/19/1012212219.db2.gz UKURNHVCBVIQSK-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001458543566 1012212233 /nfs/dbraw/zinc/21/22/33/1012212233.db2.gz UKURNHVCBVIQSK-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCn1cc(CCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001445871405 1012381639 /nfs/dbraw/zinc/38/16/39/1012381639.db2.gz POSKYNWWNMLYNM-GDBMZVCRSA-N 1 3 321.469 0.834 20 0 DCADHO CCn1cc(CCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001445871405 1012381655 /nfs/dbraw/zinc/38/16/55/1012381655.db2.gz POSKYNWWNMLYNM-GDBMZVCRSA-N 1 3 321.469 0.834 20 0 DCADHO CN(CCCN(C)[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001424331595 1012389162 /nfs/dbraw/zinc/38/91/62/1012389162.db2.gz NBVBENQPDIKFBM-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCN(C)[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001424331595 1012389178 /nfs/dbraw/zinc/38/91/78/1012389178.db2.gz NBVBENQPDIKFBM-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1ccnc1CNC[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001445990275 1012492033 /nfs/dbraw/zinc/49/20/33/1012492033.db2.gz RFGBYTACSBYVPG-AWEZNQCLSA-N 1 3 305.426 0.500 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C)N(C)C ZINC001446169196 1012654785 /nfs/dbraw/zinc/65/47/85/1012654785.db2.gz XZSXXGFONKHNJL-RDBSUJKOSA-N 1 3 312.458 0.384 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548575148 1012746932 /nfs/dbraw/zinc/74/69/32/1012746932.db2.gz XTAMTSMRMQOLHZ-LBPRGKRZSA-N 1 3 309.435 0.580 20 0 DCADHO C[C@H](C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)[C@H](N)c1ccccc1 ZINC001548578246 1012754164 /nfs/dbraw/zinc/75/41/64/1012754164.db2.gz UJKZHLFFKOTMMI-HZUKXOBISA-N 1 3 302.378 0.318 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001479108882 1017417579 /nfs/dbraw/zinc/41/75/79/1017417579.db2.gz RQWPTEJWJJDQLH-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001479108882 1017417584 /nfs/dbraw/zinc/41/75/84/1017417584.db2.gz RQWPTEJWJJDQLH-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(CCc2ccnn2C)C1 ZINC001506649256 1017438164 /nfs/dbraw/zinc/43/81/64/1017438164.db2.gz KAILRDUMTBUYEI-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001479401191 1017540777 /nfs/dbraw/zinc/54/07/77/1017540777.db2.gz XUYAIUQKRPEMGQ-RBSFLKMASA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]([NH2+]CCCO)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001506837197 1017597890 /nfs/dbraw/zinc/59/78/90/1017597890.db2.gz SBDWTFCOGIVKHI-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](CCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001506995251 1017746122 /nfs/dbraw/zinc/74/61/22/1017746122.db2.gz KCMNQSSNSJHSMO-QWHCGFSZSA-N 1 3 323.441 0.516 20 0 DCADHO C[C@H](CC[NH2+]Cc1cncn1C)NC(=O)C1(N(C)C)CCC1 ZINC001497206901 1017967454 /nfs/dbraw/zinc/96/74/54/1017967454.db2.gz WGBHUCSOFSIVJM-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001499923311 1018137056 /nfs/dbraw/zinc/13/70/56/1018137056.db2.gz XKISTZHSUSYGOW-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCn1nncc1CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061347 1018171678 /nfs/dbraw/zinc/17/16/78/1018171678.db2.gz HZHONESJWAEFEP-ZFWWWQNUSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061347 1018171686 /nfs/dbraw/zinc/17/16/86/1018171686.db2.gz HZHONESJWAEFEP-ZFWWWQNUSA-N 1 3 320.441 0.234 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001495094603 1018307506 /nfs/dbraw/zinc/30/75/06/1018307506.db2.gz PSMWVKGTNBLGHJ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001495094603 1018307518 /nfs/dbraw/zinc/30/75/18/1018307518.db2.gz PSMWVKGTNBLGHJ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1n[nH]c(C)n1 ZINC001495095910 1018308352 /nfs/dbraw/zinc/30/83/52/1018308352.db2.gz YWYCHRPPISKDFF-QWHCGFSZSA-N 1 3 308.430 0.439 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C)n1 ZINC001495095910 1018308367 /nfs/dbraw/zinc/30/83/67/1018308367.db2.gz YWYCHRPPISKDFF-QWHCGFSZSA-N 1 3 308.430 0.439 20 0 DCADHO CC[N@H+](C)CCC(=O)NC/C=C\CN[C@H]1CCCN(C)C1=O ZINC001497719974 1018364061 /nfs/dbraw/zinc/36/40/61/1018364061.db2.gz SWSVRYHWSHNBRF-GXMNPTEKSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC/C=C\CN[C@H]1CCCN(C)C1=O ZINC001497719974 1018364065 /nfs/dbraw/zinc/36/40/65/1018364065.db2.gz SWSVRYHWSHNBRF-GXMNPTEKSA-N 1 3 310.442 0.211 20 0 DCADHO Cn1ccc(CNC[C@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001500401034 1018439636 /nfs/dbraw/zinc/43/96/36/1018439636.db2.gz BTQHBFZOOICUGP-PBHICJAKSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001500401034 1018439645 /nfs/dbraw/zinc/43/96/45/1018439645.db2.gz BTQHBFZOOICUGP-PBHICJAKSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NCC1CC1 ZINC001480526838 1018629943 /nfs/dbraw/zinc/62/99/43/1018629943.db2.gz RHOMQBWPXHEEOV-YDHLFZDLSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NCC1CC1 ZINC001480526838 1018629952 /nfs/dbraw/zinc/62/99/52/1018629952.db2.gz RHOMQBWPXHEEOV-YDHLFZDLSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccnn1C ZINC001480535844 1018636067 /nfs/dbraw/zinc/63/60/67/1018636067.db2.gz ABRBIJDQDAYHHX-KBPBESRZSA-N 1 3 307.442 0.399 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001495681928 1018644775 /nfs/dbraw/zinc/64/47/75/1018644775.db2.gz BZDPTBPYGRVQKG-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001480573067 1018672339 /nfs/dbraw/zinc/67/23/39/1018672339.db2.gz FLKUKNMIPOXEPG-OCCSQVGLSA-N 1 3 308.426 0.320 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480592166 1018690737 /nfs/dbraw/zinc/69/07/37/1018690737.db2.gz XDKKDPUZFIZBMT-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480592166 1018690744 /nfs/dbraw/zinc/69/07/44/1018690744.db2.gz XDKKDPUZFIZBMT-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001498234853 1018794018 /nfs/dbraw/zinc/79/40/18/1018794018.db2.gz PAOMXKMEYFWCCR-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001495915448 1018867003 /nfs/dbraw/zinc/86/70/03/1018867003.db2.gz TWFDBTNUMIVLPT-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001480770327 1018887705 /nfs/dbraw/zinc/88/77/05/1018887705.db2.gz SLOAYRGGTRXMFH-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)NC2CC2)CCCC1 ZINC001495963001 1018912575 /nfs/dbraw/zinc/91/25/75/1018912575.db2.gz AXJIIFSBUDVWRD-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496096897 1019065656 /nfs/dbraw/zinc/06/56/56/1019065656.db2.gz HNLXQBUAVAPUPZ-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496096897 1019065676 /nfs/dbraw/zinc/06/56/76/1019065676.db2.gz HNLXQBUAVAPUPZ-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496133390 1019098110 /nfs/dbraw/zinc/09/81/10/1019098110.db2.gz WOPAFGJFVMVLCG-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001501618232 1019333124 /nfs/dbraw/zinc/33/31/24/1019333124.db2.gz JJORBGAKQRVFTN-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498785657 1019425336 /nfs/dbraw/zinc/42/53/36/1019425336.db2.gz IXIQHJBJWBMWEB-AWEZNQCLSA-N 1 3 322.453 0.235 20 0 DCADHO CN1CC[C@@H](NC[C@H](NC(=O)CCC[NH+](C)C)C2CC2)C1=O ZINC001498817904 1019446573 /nfs/dbraw/zinc/44/65/73/1019446573.db2.gz ZJVCBDYYGQVIQT-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cn1 ZINC001496643111 1019478099 /nfs/dbraw/zinc/47/80/99/1019478099.db2.gz NENGNIYLAWOIHB-HZPDHXFCSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)cn1 ZINC001496643111 1019478109 /nfs/dbraw/zinc/47/81/09/1019478109.db2.gz NENGNIYLAWOIHB-HZPDHXFCSA-N 1 3 319.453 0.967 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001498874392 1019493443 /nfs/dbraw/zinc/49/34/43/1019493443.db2.gz KSXTXPFZKAWWMP-HUUCEWRRSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001501940136 1019573691 /nfs/dbraw/zinc/57/36/91/1019573691.db2.gz KZGCATITVQDLAK-NHQLZKDQSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001501940136 1019573701 /nfs/dbraw/zinc/57/37/01/1019573701.db2.gz KZGCATITVQDLAK-NHQLZKDQSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502017629 1019631262 /nfs/dbraw/zinc/63/12/62/1019631262.db2.gz PYBAOZLRFIQUIS-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001502017629 1019631269 /nfs/dbraw/zinc/63/12/69/1019631269.db2.gz PYBAOZLRFIQUIS-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001502094935 1019708938 /nfs/dbraw/zinc/70/89/38/1019708938.db2.gz QFPXCEPIXSLGMQ-KGLIPLIRSA-N 1 3 301.431 0.179 20 0 DCADHO C[NH+]1CCC(C(=O)NCC[C@@H]2CCN([C@@H]3CCNC3=O)C2)CC1 ZINC001494046501 1019947681 /nfs/dbraw/zinc/94/76/81/1019947681.db2.gz CNPDJKPAUFUAQF-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000343287231 283318313 /nfs/dbraw/zinc/31/83/13/283318313.db2.gz NTLYZIHCZCTEPE-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333734261 291193231 /nfs/dbraw/zinc/19/32/31/291193231.db2.gz IEDRMTRYZYCHJZ-ZIAGYGMSSA-N 1 3 311.474 0.452 20 0 DCADHO CCOc1ccnc(N2CCCN(CCOCC[NH3+])CC2)n1 ZINC000566350902 291296760 /nfs/dbraw/zinc/29/67/60/291296760.db2.gz CNOIOODRDOPJFH-UHFFFAOYSA-N 1 3 309.414 0.363 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566507885 291310331 /nfs/dbraw/zinc/31/03/31/291310331.db2.gz COCJYILAZUMKDX-GJZGRUSLSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000420023760 240007874 /nfs/dbraw/zinc/00/78/74/240007874.db2.gz XPGZLZBZIDGZCU-LBPRGKRZSA-N 1 3 324.400 0.179 20 0 DCADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000420032841 240010640 /nfs/dbraw/zinc/01/06/40/240010640.db2.gz VEXPTQBCAQODFB-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000420032841 240010643 /nfs/dbraw/zinc/01/06/43/240010643.db2.gz VEXPTQBCAQODFB-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000423551464 240204476 /nfs/dbraw/zinc/20/44/76/240204476.db2.gz BQLVSKSIEHMIMM-CQSZACIVSA-N 1 3 318.421 0.897 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423586818 240218422 /nfs/dbraw/zinc/21/84/22/240218422.db2.gz BPFPDERXLBDBDX-CQSZACIVSA-N 1 3 310.442 0.271 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424080593 240253860 /nfs/dbraw/zinc/25/38/60/240253860.db2.gz ULOWOYJVJQYIBO-WFASDCNBSA-N 1 3 304.394 0.003 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430551993 240399776 /nfs/dbraw/zinc/39/97/76/240399776.db2.gz AKKAKGQQECBEDU-UWVGGRQHSA-N 1 3 324.347 0.824 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)NC[C@H](C)N(C)C)CC1 ZINC000454526024 240787967 /nfs/dbraw/zinc/78/79/67/240787967.db2.gz KUCPWNHVQIMRFB-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@H](C[C@@H]1COCCN1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567638775 291366288 /nfs/dbraw/zinc/36/62/88/291366288.db2.gz BTFBOWMOVSFNHT-ZIAGYGMSSA-N 1 3 305.426 0.670 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3CCCCC[NH2+]3)C2)nn1 ZINC000569607048 291487874 /nfs/dbraw/zinc/48/78/74/291487874.db2.gz RFSJSUPPHMVTBV-UONOGXRCSA-N 1 3 306.414 0.433 20 0 DCADHO CON1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000571907674 291538981 /nfs/dbraw/zinc/53/89/81/291538981.db2.gz LZSLNKBMZZPXAM-UHFFFAOYSA-N 1 3 315.462 0.147 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000572599522 291577796 /nfs/dbraw/zinc/57/77/96/291577796.db2.gz ABISDQGVXMMIME-STQMWFEESA-N 1 3 300.447 0.864 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110865961 194365121 /nfs/dbraw/zinc/36/51/21/194365121.db2.gz PWRBOEHYKIUCQW-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110865961 194365122 /nfs/dbraw/zinc/36/51/22/194365122.db2.gz PWRBOEHYKIUCQW-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420919565 285054991 /nfs/dbraw/zinc/05/49/91/285054991.db2.gz SIDYRIGXDXDQCU-SHARSMKWSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000347048902 285058770 /nfs/dbraw/zinc/05/87/70/285058770.db2.gz RNBWWEJJCBTWJP-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000347048902 285058771 /nfs/dbraw/zinc/05/87/71/285058771.db2.gz RNBWWEJJCBTWJP-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000416006165 285059430 /nfs/dbraw/zinc/05/94/30/285059430.db2.gz KXOYTAHSJBRQRW-VHSXEESVSA-N 1 3 312.336 0.286 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000339575853 253107284 /nfs/dbraw/zinc/10/72/84/253107284.db2.gz CBDOPLIWSXYDMQ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000339580119 253108187 /nfs/dbraw/zinc/10/81/87/253108187.db2.gz FZWZQHIFMUKEJU-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339629182 253116629 /nfs/dbraw/zinc/11/66/29/253116629.db2.gz LKNLEOCRFUNZHX-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000339635521 253118105 /nfs/dbraw/zinc/11/81/05/253118105.db2.gz AIDDMEPMCJAHRY-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000339635521 253118108 /nfs/dbraw/zinc/11/81/08/253118108.db2.gz AIDDMEPMCJAHRY-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000339483861 253092430 /nfs/dbraw/zinc/09/24/30/253092430.db2.gz MDDNLJOTKJSJPT-UHFFFAOYSA-N 1 3 324.469 0.622 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000339750311 253137696 /nfs/dbraw/zinc/13/76/96/253137696.db2.gz MLJTWCYRYAAUCP-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339962369 253170753 /nfs/dbraw/zinc/17/07/53/253170753.db2.gz AKONSNBLYQITPU-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339962369 253170755 /nfs/dbraw/zinc/17/07/55/253170755.db2.gz AKONSNBLYQITPU-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)C1CC1 ZINC000340505993 253268902 /nfs/dbraw/zinc/26/89/02/253268902.db2.gz CBADDZADVWLFEZ-QWHCGFSZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N(C)C1CC1 ZINC000340505993 253268905 /nfs/dbraw/zinc/26/89/05/253268905.db2.gz CBADDZADVWLFEZ-QWHCGFSZSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340510680 253269553 /nfs/dbraw/zinc/26/95/53/253269553.db2.gz PBOJBRGJOKPBCD-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340510680 253269555 /nfs/dbraw/zinc/26/95/55/253269555.db2.gz PBOJBRGJOKPBCD-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341012259 253335832 /nfs/dbraw/zinc/33/58/32/253335832.db2.gz FCZNYBOEYDXOKL-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341012259 253335834 /nfs/dbraw/zinc/33/58/34/253335834.db2.gz FCZNYBOEYDXOKL-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[NH+]1CCC(NC(=O)NCCN(CC)CCO)CC1 ZINC000347312851 254147074 /nfs/dbraw/zinc/14/70/74/254147074.db2.gz NUBQHADOTAZTTD-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347976235 254207592 /nfs/dbraw/zinc/20/75/92/254207592.db2.gz YUHMJNQEZWVHSI-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347976235 254207593 /nfs/dbraw/zinc/20/75/93/254207593.db2.gz YUHMJNQEZWVHSI-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCn1cc(CC[NH+]2CCC(C(=O)NCCN(C)C)CC2)cn1 ZINC000348311783 254231942 /nfs/dbraw/zinc/23/19/42/254231942.db2.gz JEZKGMXBNCIQPD-UHFFFAOYSA-N 1 3 321.469 0.835 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347999141 254211074 /nfs/dbraw/zinc/21/10/74/254211074.db2.gz GBRIBACDTVXSQM-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347999141 254211075 /nfs/dbraw/zinc/21/10/75/254211075.db2.gz GBRIBACDTVXSQM-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C)C1(CNC(=O)CCOC2C[NH2+]C2)Cc2ccccc2C1 ZINC000348990247 254267619 /nfs/dbraw/zinc/26/76/19/254267619.db2.gz FDZLOWYSVDAHQZ-UHFFFAOYSA-N 1 3 317.433 0.580 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)N(C)C ZINC000349074935 254272183 /nfs/dbraw/zinc/27/21/83/254272183.db2.gz AJJYPDQJDTXDRJ-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)NC1CCN(C)CC1 ZINC000351165976 254334622 /nfs/dbraw/zinc/33/46/22/254334622.db2.gz MSDVFTCVJHLHKE-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CN1CCC[N@H+](CCCNCc2cc(C(N)=O)cs2)CC1 ZINC000132239615 545792630 /nfs/dbraw/zinc/79/26/30/545792630.db2.gz DOIXJXGMPRFRPV-UHFFFAOYSA-N 1 3 310.467 0.964 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000417748931 262260208 /nfs/dbraw/zinc/26/02/08/262260208.db2.gz IXXWXDUSNSGRLE-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO CN1CCC[N@@H+](CCCNCc2cc(C(N)=O)cs2)CC1 ZINC000132239615 545792636 /nfs/dbraw/zinc/79/26/36/545792636.db2.gz DOIXJXGMPRFRPV-UHFFFAOYSA-N 1 3 310.467 0.964 20 0 DCADHO CSCC[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000133147380 533601960 /nfs/dbraw/zinc/60/19/60/533601960.db2.gz UAWVXOCIBRGRIM-GXTWGEPZSA-N 1 3 317.499 0.618 20 0 DCADHO Cc1n[nH]c(C)c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000271179418 395845079 /nfs/dbraw/zinc/84/50/79/395845079.db2.gz HAZNDSYDXWEDCZ-UHFFFAOYSA-N 1 3 307.442 0.916 20 0 DCADHO CC(C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236723365 395897066 /nfs/dbraw/zinc/89/70/66/395897066.db2.gz IOFSURQFLIIWAV-MCIONIFRSA-N 1 3 310.442 0.077 20 0 DCADHO COc1ccc(OC)c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261810711 396068243 /nfs/dbraw/zinc/06/82/43/396068243.db2.gz VSXWPKBUIJBUGU-CYBMUJFWSA-N 1 3 321.421 0.991 20 0 DCADHO Cc1[nH]nc2ncc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc12 ZINC000262176179 396107173 /nfs/dbraw/zinc/10/71/73/396107173.db2.gz VVJNJYGQHVXSGE-CQSZACIVSA-N 1 3 300.410 0.746 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2ccccc2F)C1 ZINC000261943709 396082345 /nfs/dbraw/zinc/08/23/45/396082345.db2.gz LVPNZCSHNOHGRY-ZDUSSCGKSA-N 1 3 309.385 0.991 20 0 DCADHO C[C@H](CNC(=O)NCC[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000074200489 396160608 /nfs/dbraw/zinc/16/06/08/396160608.db2.gz STCMMVZMTVLSAL-CQSZACIVSA-N 1 3 311.474 0.263 20 0 DCADHO C[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000074200489 396160611 /nfs/dbraw/zinc/16/06/11/396160611.db2.gz STCMMVZMTVLSAL-CQSZACIVSA-N 1 3 311.474 0.263 20 0 DCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2coc(CN)c2)CC1 ZINC000262755540 396179137 /nfs/dbraw/zinc/17/91/37/396179137.db2.gz AZAGYMVQIUWOPC-ZDUSSCGKSA-N 1 3 308.426 0.742 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000262859250 396188614 /nfs/dbraw/zinc/18/86/14/396188614.db2.gz LBQXZEBWKISTPN-HZSPNIEDSA-N 1 3 301.431 0.356 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC(=O)C[C@@H]2CNCCO2)c1 ZINC000269250370 396399975 /nfs/dbraw/zinc/39/99/75/396399975.db2.gz XKOUVJVUKJTBIQ-MRXNPFEDSA-N 1 3 321.421 0.622 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000580772452 396498388 /nfs/dbraw/zinc/49/83/88/396498388.db2.gz ATINSKNGTRIXSL-MBNYWOFBSA-N 1 3 318.425 0.243 20 0 DCADHO N[C@@H]1C[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCN2C1=O ZINC000594738096 396503228 /nfs/dbraw/zinc/50/32/28/396503228.db2.gz GVQLIMRVOZRZFO-HZPDHXFCSA-N 1 3 300.406 0.076 20 0 DCADHO CCOC(=O)CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000594583225 396488675 /nfs/dbraw/zinc/48/86/75/396488675.db2.gz CLMYCOPOVXNMFX-AWEZNQCLSA-N 1 3 313.442 0.847 20 0 DCADHO CCOC(=O)CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000594583225 396488676 /nfs/dbraw/zinc/48/86/76/396488676.db2.gz CLMYCOPOVXNMFX-AWEZNQCLSA-N 1 3 313.442 0.847 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000581001485 396517474 /nfs/dbraw/zinc/51/74/74/396517474.db2.gz KIZPQBLJPILRCF-UHFFFAOYSA-N 1 3 311.474 0.431 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000581300624 396542404 /nfs/dbraw/zinc/54/24/04/396542404.db2.gz BZUZCCHOBBIMSJ-AWEZNQCLSA-N 1 3 322.453 0.235 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000373961609 396626339 /nfs/dbraw/zinc/62/63/39/396626339.db2.gz GRZUFCWEHOCTBJ-HZPDHXFCSA-N 1 3 324.469 0.977 20 0 DCADHO O=C(NC1C[NH2+]C1)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000562828721 396683558 /nfs/dbraw/zinc/68/35/58/396683558.db2.gz AVXQGRSALGJXMP-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000562829667 396683713 /nfs/dbraw/zinc/68/37/13/396683713.db2.gz BPGKYRYCZYHDJW-CYBMUJFWSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562987289 396691538 /nfs/dbraw/zinc/69/15/38/396691538.db2.gz XFKKLAOHSADCCL-INMHGKMJSA-N 1 3 313.486 0.919 20 0 DCADHO CC(C)[NH+]1CCC(NC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562987289 396691544 /nfs/dbraw/zinc/69/15/44/396691544.db2.gz XFKKLAOHSADCCL-INMHGKMJSA-N 1 3 313.486 0.919 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000595990786 396704429 /nfs/dbraw/zinc/70/44/29/396704429.db2.gz RTBYSAURIFBVFX-QWHCGFSZSA-N 1 3 305.426 0.933 20 0 DCADHO Cc1cc(N2CCC(NC[C@H](O)C[NH+]3CCCC3)CC2)n[nH]1 ZINC000629575121 396794430 /nfs/dbraw/zinc/79/44/30/396794430.db2.gz HXZPJSOCOJOAFT-HNNXBMFYSA-N 1 3 307.442 0.733 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634258279 396822980 /nfs/dbraw/zinc/82/29/80/396822980.db2.gz DFNSSOBCOPEYIK-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000564934874 396904169 /nfs/dbraw/zinc/90/41/69/396904169.db2.gz LLPWUCRYMLTHNW-WFASDCNBSA-N 1 3 306.410 0.697 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N(C)C1CC1 ZINC000333445642 396924724 /nfs/dbraw/zinc/92/47/24/396924724.db2.gz WTTSVXYNZCCIQZ-UKRRQHHQSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N(C)C1CC1 ZINC000342063240 396984006 /nfs/dbraw/zinc/98/40/06/396984006.db2.gz NTGBGYAGYNNSNC-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)C1CC1 ZINC000342063240 396984014 /nfs/dbraw/zinc/98/40/14/396984014.db2.gz NTGBGYAGYNNSNC-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000571921536 397001223 /nfs/dbraw/zinc/00/12/23/397001223.db2.gz XLTWASHQSDEAIG-SYQHCUMBSA-N 1 3 310.442 0.314 20 0 DCADHO NC(=O)c1cn(C2CC[NH+](CCCN3CCCCC3)CC2)nn1 ZINC000625808283 397008490 /nfs/dbraw/zinc/00/84/90/397008490.db2.gz HJGLBJBLXODXRR-UHFFFAOYSA-N 1 3 320.441 0.890 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000625865447 397019106 /nfs/dbraw/zinc/01/91/06/397019106.db2.gz JRYKKLSANCMDFE-ZDUSSCGKSA-N 1 3 306.414 0.851 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)CC[N@@H+]1C ZINC000348018941 397035879 /nfs/dbraw/zinc/03/58/79/397035879.db2.gz PSJNUJKGYVJKFN-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)CC[N@H+]1C ZINC000348018941 397035883 /nfs/dbraw/zinc/03/58/83/397035883.db2.gz PSJNUJKGYVJKFN-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCN1C ZINC000348020127 397036209 /nfs/dbraw/zinc/03/62/09/397036209.db2.gz CPSJOOUVFGZQSK-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+]1CCC(CNC(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630817085 397109093 /nfs/dbraw/zinc/10/90/93/397109093.db2.gz BPXXNDNPEJXTJP-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000612546255 397089186 /nfs/dbraw/zinc/08/91/86/397089186.db2.gz QXIJFBCGFIYMPK-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000612546255 397089191 /nfs/dbraw/zinc/08/91/91/397089191.db2.gz QXIJFBCGFIYMPK-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000612546976 397089710 /nfs/dbraw/zinc/08/97/10/397089710.db2.gz XPKAOXROBMJGRF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000612546976 397089714 /nfs/dbraw/zinc/08/97/14/397089714.db2.gz XPKAOXROBMJGRF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO c1c(CCN2CC[NH2+]CC2)nnn1CCCN1CCSCC1 ZINC000630588951 397055116 /nfs/dbraw/zinc/05/51/16/397055116.db2.gz ABARMOKHTBYOBM-UHFFFAOYSA-N 1 3 324.498 0.165 20 0 DCADHO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000592219346 397135309 /nfs/dbraw/zinc/13/53/09/397135309.db2.gz KZESRMSGDVSNAG-HOTGVXAUSA-N 1 3 310.486 0.987 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(C(F)F)c1 ZINC000630931084 397138089 /nfs/dbraw/zinc/13/80/89/397138089.db2.gz MPOKSYNNBZKKCK-UHFFFAOYSA-N 1 3 303.357 0.844 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612885887 397155970 /nfs/dbraw/zinc/15/59/70/397155970.db2.gz JRUZPXNJSLFACO-GOEBONIOSA-N 1 3 311.474 0.311 20 0 DCADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612969804 397166457 /nfs/dbraw/zinc/16/64/57/397166457.db2.gz GTFCHRJSQDTQTO-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612981137 397170536 /nfs/dbraw/zinc/17/05/36/397170536.db2.gz YDIGOHUMVYDCBQ-HNNXBMFYSA-N 1 3 323.485 0.407 20 0 DCADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000592493953 397192761 /nfs/dbraw/zinc/19/27/61/397192761.db2.gz XJGWQULCYMVUSN-STQMWFEESA-N 1 3 308.426 0.686 20 0 DCADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCN4CCC[C@@H]4C3)c21 ZINC000592959610 397304622 /nfs/dbraw/zinc/30/46/22/397304622.db2.gz NIVWKDIRXKQVOX-CHWSQXEVSA-N 1 3 303.410 0.639 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC000592964918 397307603 /nfs/dbraw/zinc/30/76/03/397307603.db2.gz OPUDWTQCYXIGAZ-FPCVCCKLSA-N 1 3 306.454 0.364 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000626852374 397261663 /nfs/dbraw/zinc/26/16/63/397261663.db2.gz FDTRCEITHPQOJB-UHFFFAOYSA-N 1 3 306.410 0.802 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N(CC[NH3+])CCO)CCN1Cc1ccccc1 ZINC000418197522 397374373 /nfs/dbraw/zinc/37/43/73/397374373.db2.gz SZHGMCWLUVOBGL-ZBFHGGJFSA-N 1 3 320.437 0.612 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417868238 397374686 /nfs/dbraw/zinc/37/46/86/397374686.db2.gz GJZIUAGQUXXLOS-NMFUWQPSSA-N 1 3 310.442 0.617 20 0 DCADHO CCS(=O)(=O)N1CC(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000578518708 397446655 /nfs/dbraw/zinc/44/66/55/397446655.db2.gz ASIOOKQCMGMEJX-RRFJBIMHSA-N 1 3 315.483 0.778 20 0 DCADHO CCS(=O)(=O)NCCN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877246 397394868 /nfs/dbraw/zinc/39/48/68/397394868.db2.gz ANGKPMJSNLZWDM-UHFFFAOYSA-N 1 3 303.472 0.734 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000578173384 397399908 /nfs/dbraw/zinc/39/99/08/397399908.db2.gz NYVAUOQHPDOIOP-CQSZACIVSA-N 1 3 300.447 0.521 20 0 DCADHO CCN1CCN(CCCNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621647926 397408574 /nfs/dbraw/zinc/40/85/74/397408574.db2.gz QDFDXKACMHMIJF-MRXNPFEDSA-N 1 3 310.486 0.910 20 0 DCADHO CNC(=O)[C@@]1(C)CCN(CCC[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430273501 397409846 /nfs/dbraw/zinc/40/98/46/397409846.db2.gz AICYCRJEBVEAAE-IRXDYDNUSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)[C@@]1(C)CCN(CCC[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430273501 397409853 /nfs/dbraw/zinc/40/98/53/397409853.db2.gz AICYCRJEBVEAAE-IRXDYDNUSA-N 1 3 324.469 0.293 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366280704 304331299 /nfs/dbraw/zinc/33/12/99/304331299.db2.gz LUSMNXXSLPQGRD-KBMXLJTQSA-N 1 3 307.438 0.840 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000579700245 397588381 /nfs/dbraw/zinc/58/83/81/397588381.db2.gz RJYRMURYKFPGPI-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC1(C)[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1N ZINC000603435925 397611752 /nfs/dbraw/zinc/61/17/52/397611752.db2.gz ZZLDCNYNSXXDEX-JGVFFNPUSA-N 1 3 310.320 0.480 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000603782765 397620541 /nfs/dbraw/zinc/62/05/41/397620541.db2.gz IFDGEVHPSSUEIT-HZPDHXFCSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000603782765 397620545 /nfs/dbraw/zinc/62/05/45/397620545.db2.gz IFDGEVHPSSUEIT-HZPDHXFCSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000603782765 397620546 /nfs/dbraw/zinc/62/05/46/397620546.db2.gz IFDGEVHPSSUEIT-HZPDHXFCSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCn1ccnc1 ZINC000605429678 397665641 /nfs/dbraw/zinc/66/56/41/397665641.db2.gz JVDDQJSASKCIPO-UHFFFAOYSA-N 1 3 310.446 0.408 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000126535987 158265997 /nfs/dbraw/zinc/26/59/97/158265997.db2.gz VIPHPQNBLSRNEN-IJEWVQPXSA-N 1 3 300.443 0.815 20 0 DCADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000167214862 158367206 /nfs/dbraw/zinc/36/72/06/158367206.db2.gz ZYTHOVMMTCJEGJ-MGPQQGTHSA-N 1 3 312.458 0.419 20 0 DCADHO COC(=O)CCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000316906097 159003431 /nfs/dbraw/zinc/00/34/31/159003431.db2.gz ZNCVZTSNZDPMDR-ZIAGYGMSSA-N 1 3 311.426 0.520 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000245421389 287069180 /nfs/dbraw/zinc/06/91/80/287069180.db2.gz CQEDVOYFWHZKIN-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000245421389 287069182 /nfs/dbraw/zinc/06/91/82/287069182.db2.gz CQEDVOYFWHZKIN-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCCN1CCC[C@H]1CO ZINC000245991394 287075158 /nfs/dbraw/zinc/07/51/58/287075158.db2.gz DFAVJACXSMIHSU-KGLIPLIRSA-N 1 3 306.472 0.636 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248913089 287103624 /nfs/dbraw/zinc/10/36/24/287103624.db2.gz CLAIWTNJFQKISN-CABCVRRESA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248913089 287103627 /nfs/dbraw/zinc/10/36/27/287103627.db2.gz CLAIWTNJFQKISN-CABCVRRESA-N 1 3 314.474 0.720 20 0 DCADHO COCCN1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262022709 292523425 /nfs/dbraw/zinc/52/34/25/292523425.db2.gz AQJDFVLGEFDRPP-WMLDXEAASA-N 1 3 309.454 0.993 20 0 DCADHO Cc1nc2ccccn2c1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347062589 287160041 /nfs/dbraw/zinc/16/00/41/287160041.db2.gz ZNOGXFCTOVARCL-AWEZNQCLSA-N 1 3 315.421 0.930 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418944530 287255568 /nfs/dbraw/zinc/25/55/68/287255568.db2.gz KFWDBDYRZWZQSU-KGLIPLIRSA-N 1 3 320.437 0.429 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418944456 287255601 /nfs/dbraw/zinc/25/56/01/287255601.db2.gz JXIOJVAPEBBTKC-CHWSQXEVSA-N 1 3 306.410 0.087 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCCCC[NH3+] ZINC000419145209 287266724 /nfs/dbraw/zinc/26/67/24/287266724.db2.gz ABFPADUGNUXEEM-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000420346481 287293348 /nfs/dbraw/zinc/29/33/48/287293348.db2.gz YKCLLALUPDSGBU-FPCVCCKLSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000332096019 415244286 /nfs/dbraw/zinc/24/42/86/415244286.db2.gz PJTFNMZCNIMJNP-UONOGXRCSA-N 1 3 322.453 0.459 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCC(C)CC1 ZINC000423355890 287304856 /nfs/dbraw/zinc/30/48/56/287304856.db2.gz IWDYBFGIKXDGRW-CYBMUJFWSA-N 1 3 308.430 0.477 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000332374878 415370486 /nfs/dbraw/zinc/37/04/86/415370486.db2.gz ZCIHMIKYHBMCMO-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343103649 415452942 /nfs/dbraw/zinc/45/29/42/415452942.db2.gz DIBHRDTYZJHEOG-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343103649 415452945 /nfs/dbraw/zinc/45/29/45/415452945.db2.gz DIBHRDTYZJHEOG-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353437441 415540811 /nfs/dbraw/zinc/54/08/11/415540811.db2.gz CDYINTZXFSIGDH-JKSUJKDBSA-N 1 3 309.454 0.585 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343342196 415567984 /nfs/dbraw/zinc/56/79/84/415567984.db2.gz VASDGUWXGNQTES-JKSUJKDBSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC[C@@H]1[NH3+] ZINC000333402592 415639280 /nfs/dbraw/zinc/63/92/80/415639280.db2.gz QESRJXQNVJKDTH-DYEKYZERSA-N 1 3 300.472 0.802 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333414797 415642176 /nfs/dbraw/zinc/64/21/76/415642176.db2.gz RSEXMDOBRWQJKD-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000353542960 415587182 /nfs/dbraw/zinc/58/71/82/415587182.db2.gz NZHJYRKOIFKLMA-ZIAGYGMSSA-N 1 3 312.458 0.737 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCC3([NH3+])CCCCC3)C[C@H]2N)cn1 ZINC000333237253 415592648 /nfs/dbraw/zinc/59/26/48/415592648.db2.gz AIWAYMDGXOUFFP-UONOGXRCSA-N 1 3 320.441 0.518 20 0 DCADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000353770981 415652571 /nfs/dbraw/zinc/65/25/71/415652571.db2.gz VTJYTRXVUUEMCV-DZGCQCFKSA-N 1 3 307.438 0.970 20 0 DCADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000353770981 415652582 /nfs/dbraw/zinc/65/25/82/415652582.db2.gz VTJYTRXVUUEMCV-DZGCQCFKSA-N 1 3 307.438 0.970 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343634719 415664720 /nfs/dbraw/zinc/66/47/20/415664720.db2.gz GZOCVKOQDSTNAD-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343634719 415664726 /nfs/dbraw/zinc/66/47/26/415664726.db2.gz GZOCVKOQDSTNAD-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CN1C1CC1 ZINC000333610091 415695586 /nfs/dbraw/zinc/69/55/86/415695586.db2.gz RVIXMXYUWUSMOO-WCQYABFASA-N 1 3 304.442 0.987 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CCCO1 ZINC000333600531 415692774 /nfs/dbraw/zinc/69/27/74/415692774.db2.gz BXAHSSNIGUKUHR-LSDHHAIUSA-N 1 3 310.442 0.763 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CNCCO2)CCCCCC1 ZINC000333908381 415765079 /nfs/dbraw/zinc/76/50/79/415765079.db2.gz KNYBOLYOJVMWMG-CQSZACIVSA-N 1 3 312.458 0.929 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000290275377 415786349 /nfs/dbraw/zinc/78/63/49/415786349.db2.gz YXWUDIBZWUTLCB-NUEKZKHPSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000290275377 415786356 /nfs/dbraw/zinc/78/63/56/415786356.db2.gz YXWUDIBZWUTLCB-NUEKZKHPSA-N 1 3 305.422 0.987 20 0 DCADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000126897861 415880139 /nfs/dbraw/zinc/88/01/39/415880139.db2.gz MDACIJMRCDTLBC-OAHLLOKOSA-N 1 3 302.422 0.920 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000357223390 416046931 /nfs/dbraw/zinc/04/69/31/416046931.db2.gz JCTKSCSIVUWONN-NUJGCVRESA-N 1 3 322.497 0.908 20 0 DCADHO CC(C)[C@@H](CNC(=O)N(C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000176190511 416120530 /nfs/dbraw/zinc/12/05/30/416120530.db2.gz QPDFXWIVICFWAX-OAHLLOKOSA-N 1 3 313.490 0.461 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN(C)C)CC1=O ZINC000176372949 416126440 /nfs/dbraw/zinc/12/64/40/416126440.db2.gz KIVBWDXMTOCZLM-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCN(C)C)CC1=O ZINC000176372949 416126441 /nfs/dbraw/zinc/12/64/41/416126441.db2.gz KIVBWDXMTOCZLM-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCN(C)CCOC ZINC000176484111 416128192 /nfs/dbraw/zinc/12/81/92/416128192.db2.gz ZWFOMJGUFRGRSP-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCN(C)CCOC ZINC000176484111 416128196 /nfs/dbraw/zinc/12/81/96/416128196.db2.gz ZWFOMJGUFRGRSP-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]([NH3+])CC(F)F)C[C@@H](C)O1 ZINC000345705573 416136356 /nfs/dbraw/zinc/13/63/56/416136356.db2.gz ZSUNILNKWDFVCJ-UTUOFQBUSA-N 1 3 307.385 0.975 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000358666254 416264218 /nfs/dbraw/zinc/26/42/18/416264218.db2.gz TZMLGAFCRSWHHF-QGZVFWFLSA-N 1 3 320.437 0.614 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358708611 416270430 /nfs/dbraw/zinc/27/04/30/416270430.db2.gz QAJSPTYHTDHYRN-INIZCTEOSA-N 1 3 314.474 0.864 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000331408827 416310330 /nfs/dbraw/zinc/31/03/30/416310330.db2.gz BSJANQRKQAHFKL-BYNSBNAKSA-N 1 3 322.453 0.125 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552163 416335517 /nfs/dbraw/zinc/33/55/17/416335517.db2.gz QZRDWUXSYDIWHY-CWRNSKLLSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552163 416335518 /nfs/dbraw/zinc/33/55/18/416335518.db2.gz QZRDWUXSYDIWHY-CWRNSKLLSA-N 1 3 305.422 0.987 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)C[C@H](C)[NH3+] ZINC000261873693 416335962 /nfs/dbraw/zinc/33/59/62/416335962.db2.gz RKBMPDNNIKKSOC-UONOGXRCSA-N 1 3 313.442 0.990 20 0 DCADHO CN(CCN)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415874090 416357181 /nfs/dbraw/zinc/35/71/81/416357181.db2.gz ADPULHUORBDBSY-UHFFFAOYSA-N 1 3 318.421 0.681 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000237007494 416328247 /nfs/dbraw/zinc/32/82/47/416328247.db2.gz LSYPYBPOKNSLSO-JYJNAYRXSA-N 1 3 310.486 0.988 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000237007494 416328248 /nfs/dbraw/zinc/32/82/48/416328248.db2.gz LSYPYBPOKNSLSO-JYJNAYRXSA-N 1 3 310.486 0.988 20 0 DCADHO CC[NH+]1CCC(NCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000359971102 416367203 /nfs/dbraw/zinc/36/72/03/416367203.db2.gz PJFNGXSEGJYGRO-UHFFFAOYSA-N 1 3 308.426 0.925 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420019567 416416376 /nfs/dbraw/zinc/41/63/76/416416376.db2.gz RGNMVWRLYYLAJU-HZSPNIEDSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)N1CCN(C)CC1 ZINC000416942047 416379865 /nfs/dbraw/zinc/37/98/65/416379865.db2.gz AUGPCLVLIJGNGU-LSDHHAIUSA-N 1 3 311.474 0.295 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418381078 416386727 /nfs/dbraw/zinc/38/67/27/416386727.db2.gz KTYZXWFPNVXRAQ-AWEZNQCLSA-N 1 3 305.426 0.907 20 0 DCADHO [NH3+][C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000418442348 416387046 /nfs/dbraw/zinc/38/70/46/416387046.db2.gz DOVDAIUUGSBIFL-HZPDHXFCSA-N 1 3 320.437 0.832 20 0 DCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418832323 416391940 /nfs/dbraw/zinc/39/19/40/416391940.db2.gz JYRREMLMUKPVIR-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H]1CN ZINC000419690075 416405224 /nfs/dbraw/zinc/40/52/24/416405224.db2.gz BISDLWLTOOTZBN-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H]1CN ZINC000419690075 416405225 /nfs/dbraw/zinc/40/52/25/416405225.db2.gz BISDLWLTOOTZBN-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN2CCCO)CC[N@@H+]1C ZINC000458446868 416472201 /nfs/dbraw/zinc/47/22/01/416472201.db2.gz RANSKNGAARGKMF-QLFBSQMISA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN2CCCO)CC[N@H+]1C ZINC000458446868 416472203 /nfs/dbraw/zinc/47/22/03/416472203.db2.gz RANSKNGAARGKMF-QLFBSQMISA-N 1 3 312.458 0.615 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000423167660 416472611 /nfs/dbraw/zinc/47/26/11/416472611.db2.gz FJQXFCUWFNNCOK-UHFFFAOYSA-N 1 3 324.425 0.156 20 0 DCADHO COC[C@]1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[NH2+]C1 ZINC000423307457 416488026 /nfs/dbraw/zinc/48/80/26/416488026.db2.gz NEPIIRLEDFFYIW-WMZOPIPTSA-N 1 3 319.449 0.902 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCC1 ZINC000458677541 416489713 /nfs/dbraw/zinc/48/97/13/416489713.db2.gz IDLZSRDRKZMUMS-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cnn(C)c1 ZINC000361496530 416442077 /nfs/dbraw/zinc/44/20/77/416442077.db2.gz LVHJIZOAZVBMSK-HNNXBMFYSA-N 1 3 309.458 0.461 20 0 DCADHO N[C@@H](CC1CCCCC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423649109 416537443 /nfs/dbraw/zinc/53/74/43/416537443.db2.gz OWWMUQRCSDKYSV-HOTGVXAUSA-N 1 3 308.470 0.790 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423717614 416545381 /nfs/dbraw/zinc/54/53/81/416545381.db2.gz BDRRRQKSXXCTQC-ZNMIVQPWSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)[C@@H]1C[NH3+] ZINC000423725646 416550081 /nfs/dbraw/zinc/55/00/81/416550081.db2.gz HXUZXPNDCORDJH-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]1CN(CC2(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)COC2)C[C@H]1CO ZINC000362089080 416558923 /nfs/dbraw/zinc/55/89/23/416558923.db2.gz RVGMFTUUFJUMPM-FZKCQIBNSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1CN(CC2(C[N@H+]3C[C@@H](C)[C@H](CO)C3)COC2)C[C@H]1CO ZINC000362089080 416558927 /nfs/dbraw/zinc/55/89/27/416558927.db2.gz RVGMFTUUFJUMPM-FZKCQIBNSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1C[N@@H+](CC2(CN3C[C@@H](C)[C@H](CO)C3)COC2)C[C@H]1CO ZINC000362089080 416558933 /nfs/dbraw/zinc/55/89/33/416558933.db2.gz RVGMFTUUFJUMPM-FZKCQIBNSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1C[N@H+](CC2(CN3C[C@@H](C)[C@H](CO)C3)COC2)C[C@H]1CO ZINC000362089080 416558937 /nfs/dbraw/zinc/55/89/37/416558937.db2.gz RVGMFTUUFJUMPM-FZKCQIBNSA-N 1 3 312.454 0.123 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423368078 416499489 /nfs/dbraw/zinc/49/94/89/416499489.db2.gz MZZVCYNVBZSHAD-GFCCVEGCSA-N 1 3 324.450 0.198 20 0 DCADHO COCCN1CC[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423381181 416500938 /nfs/dbraw/zinc/50/09/38/416500938.db2.gz HULOELPUSWLQBN-QWHCGFSZSA-N 1 3 324.391 0.133 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H](C)[NH3+] ZINC000423405559 416505081 /nfs/dbraw/zinc/50/50/81/416505081.db2.gz ZUALOCLLPGVEJA-ZBFHGGJFSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[NH+](C)C ZINC000459043857 416519877 /nfs/dbraw/zinc/51/98/77/416519877.db2.gz QWRQVWPMYSRLLS-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO Cc1cc(CN(C)C)cc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000423784478 416565471 /nfs/dbraw/zinc/56/54/71/416565471.db2.gz MCAIXMNQUIGRHT-OAHLLOKOSA-N 1 3 318.421 0.863 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423764451 416564453 /nfs/dbraw/zinc/56/44/53/416564453.db2.gz XNLCYMQLLHWGMN-DOTOQJQBSA-N 1 3 310.486 0.990 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000364850514 416594709 /nfs/dbraw/zinc/59/47/09/416594709.db2.gz LWDQCCKMLIDJEM-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCN1C ZINC000424137487 416615427 /nfs/dbraw/zinc/61/54/27/416615427.db2.gz BZDOGNAMLKWWFS-UPJWGTAASA-N 1 3 306.414 0.415 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCCCCC1 ZINC000424226178 416630153 /nfs/dbraw/zinc/63/01/53/416630153.db2.gz OEXMFZQGVAWKKC-CWRNSKLLSA-N 1 3 319.453 0.938 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000440914515 416654579 /nfs/dbraw/zinc/65/45/79/416654579.db2.gz SBISVSJPUHOIFY-CABCVRRESA-N 1 3 308.470 0.755 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000440914515 416654582 /nfs/dbraw/zinc/65/45/82/416654582.db2.gz SBISVSJPUHOIFY-CABCVRRESA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000516293988 416721529 /nfs/dbraw/zinc/72/15/29/416721529.db2.gz QKBBZSSPPFSQJB-SFHVURJKSA-N 1 3 322.497 0.862 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000557137217 416724903 /nfs/dbraw/zinc/72/49/03/416724903.db2.gz CDWHNAFTMFADKP-HOTGVXAUSA-N 1 3 318.421 0.630 20 0 DCADHO CN1CCC(CCO)(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000427093720 416798195 /nfs/dbraw/zinc/79/81/95/416798195.db2.gz QMCGHEWYSDZSSJ-UHFFFAOYSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631923715 416805045 /nfs/dbraw/zinc/80/50/45/416805045.db2.gz XBBYOMQZIQWWEB-OCCSQVGLSA-N 1 3 318.487 0.187 20 0 DCADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000444170043 416809947 /nfs/dbraw/zinc/80/99/47/416809947.db2.gz SZDGGUAEXGWHKM-OAHLLOKOSA-N 1 3 316.405 0.813 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1 ZINC000559365002 416812869 /nfs/dbraw/zinc/81/28/69/416812869.db2.gz PSQSGLFKHUYXLJ-UHFFFAOYSA-N 1 3 320.437 0.255 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)[C@H]2C1 ZINC000518766550 416872799 /nfs/dbraw/zinc/87/27/99/416872799.db2.gz LPEUJQOHAKQMQP-BMFZPTHFSA-N 1 3 317.437 0.974 20 0 DCADHO CCN1CC[C@@H](N(C)C(=O)c2cn(CCC[NH3+])nn2)C[C@@H]1C ZINC000565040740 416913432 /nfs/dbraw/zinc/91/34/32/416913432.db2.gz WBUZCTAANURJRB-QWHCGFSZSA-N 1 3 308.430 0.572 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000519812543 416940864 /nfs/dbraw/zinc/94/08/64/416940864.db2.gz BLPLNRQKMGPQFP-UHFFFAOYSA-N 1 3 313.490 0.511 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)C(=O)NCCN1CCCCC1 ZINC000565831615 417024466 /nfs/dbraw/zinc/02/44/66/417024466.db2.gz AZBKCPZCKCTYJM-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000642088150 417026027 /nfs/dbraw/zinc/02/60/27/417026027.db2.gz SYLLJFNSRAULIE-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)CC[C@@H]1[NH3+] ZINC000642114197 417029153 /nfs/dbraw/zinc/02/91/53/417029153.db2.gz RIIAIABVXKYHSQ-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642114161 417029550 /nfs/dbraw/zinc/02/95/50/417029550.db2.gz IRNVTYRIQZIWBU-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000565481004 416982875 /nfs/dbraw/zinc/98/28/75/416982875.db2.gz KUGHCPXJWHKJKD-XUXIUFHCSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000642262592 417038746 /nfs/dbraw/zinc/03/87/46/417038746.db2.gz ISWLEMVTFSSZOC-STQMWFEESA-N 1 3 306.410 0.087 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447984630 417054035 /nfs/dbraw/zinc/05/40/35/417054035.db2.gz ZFXFMHJYMYUARU-CQSZACIVSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447984630 417054040 /nfs/dbraw/zinc/05/40/40/417054040.db2.gz ZFXFMHJYMYUARU-CQSZACIVSA-N 1 3 314.474 0.984 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000642439857 417056068 /nfs/dbraw/zinc/05/60/68/417056068.db2.gz PJVFVIBDZZJOHO-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000642439966 417056938 /nfs/dbraw/zinc/05/69/38/417056938.db2.gz UGSZXJPTFIKCMY-KFWWJZLASA-N 1 3 324.469 0.611 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(N)CCCCC2)C1 ZINC000430892991 417076648 /nfs/dbraw/zinc/07/66/48/417076648.db2.gz CHQOLHGBMHORRF-CYBMUJFWSA-N 1 3 310.442 0.352 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(N)CCCCC2)C1 ZINC000430892991 417076654 /nfs/dbraw/zinc/07/66/54/417076654.db2.gz CHQOLHGBMHORRF-CYBMUJFWSA-N 1 3 310.442 0.352 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000568075187 417076819 /nfs/dbraw/zinc/07/68/19/417076819.db2.gz AHDBHZPLQKDZME-YOEHRIQHSA-N 1 3 322.453 0.141 20 0 DCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000430929538 417083463 /nfs/dbraw/zinc/08/34/63/417083463.db2.gz OZPMYBFYBNJORC-DOMZBBRYSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(CCN(C)C)CC1 ZINC000448601991 417088621 /nfs/dbraw/zinc/08/86/21/417088621.db2.gz ZLHPILDATFZOCU-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(CCN(C)C)CC1 ZINC000448601991 417088627 /nfs/dbraw/zinc/08/86/27/417088627.db2.gz ZLHPILDATFZOCU-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2CC)CC[C@H]1[NH3+] ZINC000642773445 417093352 /nfs/dbraw/zinc/09/33/52/417093352.db2.gz ZVORGECDHCKLDH-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](O)CC(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524783525 417116952 /nfs/dbraw/zinc/11/69/52/417116952.db2.gz KWINGDYGUDWPBK-CQSZACIVSA-N 1 3 316.490 0.918 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568293572 417119898 /nfs/dbraw/zinc/11/98/98/417119898.db2.gz AZSWQXHGMBEJGW-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000637467731 417122033 /nfs/dbraw/zinc/12/20/33/417122033.db2.gz DDWSRZJWQRFARW-HUUCEWRRSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000637467731 417122040 /nfs/dbraw/zinc/12/20/40/417122040.db2.gz DDWSRZJWQRFARW-HUUCEWRRSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000642918449 417123308 /nfs/dbraw/zinc/12/33/08/417123308.db2.gz VJWVUWIZZHEMAP-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000642929847 417130777 /nfs/dbraw/zinc/13/07/77/417130777.db2.gz ULAINIUDCJXMRO-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642980396 417135517 /nfs/dbraw/zinc/13/55/17/417135517.db2.gz CFNTWEOBTVTLFY-QLFBSQMISA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNC(=O)N(C)CCOCC[NH3+])N1CCC[C@@H](C)C1 ZINC000626934561 417178337 /nfs/dbraw/zinc/17/83/37/417178337.db2.gz IIHFQBLUMQDJOG-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@H](CNC(=O)N(C)CCOCC[NH3+])N1CCC(C)CC1 ZINC000626953522 417185829 /nfs/dbraw/zinc/18/58/29/417185829.db2.gz UXFPUHYPAZHIQH-CQSZACIVSA-N 1 3 300.447 0.724 20 0 DCADHO COCC[NH2+]CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000568982164 417199748 /nfs/dbraw/zinc/19/97/48/417199748.db2.gz JTOGTNZYKNKWEE-AWEZNQCLSA-N 1 3 320.437 0.959 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643505650 417230031 /nfs/dbraw/zinc/23/00/31/417230031.db2.gz NLURXNCOXUEPEX-WMLDXEAASA-N 1 3 322.453 0.141 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000637847838 417205695 /nfs/dbraw/zinc/20/56/95/417205695.db2.gz KYMIBRBLJCFFAR-KGLIPLIRSA-N 1 3 301.431 0.167 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000637843508 417207982 /nfs/dbraw/zinc/20/79/82/417207982.db2.gz AIOKMYLGAMIKEV-VNQPRFMTSA-N 1 3 304.438 0.641 20 0 DCADHO COC[C@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCCCN1 ZINC000637863727 417210326 /nfs/dbraw/zinc/21/03/26/417210326.db2.gz CWJZDVFTMNERTG-INIZCTEOSA-N 1 3 313.442 0.502 20 0 DCADHO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CNCC[C@H]2C)cc1 ZINC000643454582 417212220 /nfs/dbraw/zinc/21/22/20/417212220.db2.gz LAZDIQQUHMDEKY-IUODEOHRSA-N 1 3 311.451 0.823 20 0 DCADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414182957 417267063 /nfs/dbraw/zinc/26/70/63/417267063.db2.gz DOKAUTVKIMKTRO-SJORKVTESA-N 1 3 324.513 0.713 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000637986584 417269194 /nfs/dbraw/zinc/26/91/94/417269194.db2.gz VQNGNKHTQQCRBC-HUUCEWRRSA-N 1 3 309.458 0.160 20 0 DCADHO CCn1cc(CC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cn1 ZINC000621776091 417293360 /nfs/dbraw/zinc/29/33/60/417293360.db2.gz BOMZNTJJFAWLPN-OAHLLOKOSA-N 1 3 303.414 0.833 20 0 DCADHO CCn1cc(CC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cn1 ZINC000621776091 417293366 /nfs/dbraw/zinc/29/33/66/417293366.db2.gz BOMZNTJJFAWLPN-OAHLLOKOSA-N 1 3 303.414 0.833 20 0 DCADHO CC(C)[C@H](C[NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000433155640 417233194 /nfs/dbraw/zinc/23/31/94/417233194.db2.gz YQMRQVXOPMYOQS-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CCOCC[NH3+] ZINC000627115955 417235671 /nfs/dbraw/zinc/23/56/71/417235671.db2.gz DWQMNMNHDLMXMC-CQSZACIVSA-N 1 3 300.447 0.724 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000643545348 417240736 /nfs/dbraw/zinc/24/07/36/417240736.db2.gz DNKFQUKLJCOENE-TUVASFSCSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)N(C)C1CC1 ZINC000433382339 417259085 /nfs/dbraw/zinc/25/90/85/417259085.db2.gz CTIPWTGGMUZPOM-YPMHNXCESA-N 1 3 306.414 0.415 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000638162183 417359702 /nfs/dbraw/zinc/35/97/02/417359702.db2.gz FASOEDVKCKIMFJ-SJLPKXTDSA-N 1 3 318.465 0.952 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@@H]1N1CCN(C)CC1 ZINC000627249786 417300642 /nfs/dbraw/zinc/30/06/42/417300642.db2.gz FNORJILLPZWPAH-KFWWJZLASA-N 1 3 309.458 0.016 20 0 DCADHO Cc1nn2c(CNCCCN3CC[NH2+]CC3)c(C)nc2s1 ZINC000414787590 417303126 /nfs/dbraw/zinc/30/31/26/417303126.db2.gz ZGUPNKOEOFRCKR-UHFFFAOYSA-N 1 3 308.455 0.793 20 0 DCADHO C[C@@H]1C[NH+](CCCCNC(=O)[C@]2(C)CNCCO2)C[C@@H](C)O1 ZINC000638074891 417311028 /nfs/dbraw/zinc/31/10/28/417311028.db2.gz BPRQCDROYYEMRG-FMKPAKJESA-N 1 3 313.442 0.371 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621844113 417320191 /nfs/dbraw/zinc/32/01/91/417320191.db2.gz PCZNKPJYEXYIKV-VBQJREDUSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000627275234 417325232 /nfs/dbraw/zinc/32/52/32/417325232.db2.gz GDTATOOXVLFUFF-HRCADAONSA-N 1 3 305.422 0.371 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000627275234 417325236 /nfs/dbraw/zinc/32/52/36/417325236.db2.gz GDTATOOXVLFUFF-HRCADAONSA-N 1 3 305.422 0.371 20 0 DCADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638103563 417332473 /nfs/dbraw/zinc/33/24/73/417332473.db2.gz QQHQZSCSKNWQJY-JKSUJKDBSA-N 1 3 321.421 0.750 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC2(C)CC[NH2+]CC2)n1 ZINC000415210092 417343177 /nfs/dbraw/zinc/34/31/77/417343177.db2.gz HLWILSMNSDUQIQ-UHFFFAOYSA-N 1 3 308.430 0.956 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000570710191 417384266 /nfs/dbraw/zinc/38/42/66/417384266.db2.gz MNUHSWGJTVZGMI-CYUUQNCZSA-N 1 3 320.441 0.374 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000638270556 417397199 /nfs/dbraw/zinc/39/71/99/417397199.db2.gz ZIRBZSQGNLTDQP-OAGGEKHMSA-N 1 3 304.438 0.689 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000570839521 417400028 /nfs/dbraw/zinc/40/00/28/417400028.db2.gz LKNKQTWXVMSOKK-HNNXBMFYSA-N 1 3 306.410 0.665 20 0 DCADHO CN(C)CCn1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000633416136 417426045 /nfs/dbraw/zinc/42/60/45/417426045.db2.gz GZIPKVORIMVKBW-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000633416136 417426052 /nfs/dbraw/zinc/42/60/52/417426052.db2.gz GZIPKVORIMVKBW-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000638168072 417364520 /nfs/dbraw/zinc/36/45/20/417364520.db2.gz BWRPSLGURUOSNW-QGZVFWFLSA-N 1 3 318.465 0.998 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638201371 417374011 /nfs/dbraw/zinc/37/40/11/417374011.db2.gz MLTNETOJXGPPGF-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000570635351 417375271 /nfs/dbraw/zinc/37/52/71/417375271.db2.gz DEJDHLKGAUQWOV-LBPRGKRZSA-N 1 3 306.414 0.274 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000627363430 417375346 /nfs/dbraw/zinc/37/53/46/417375346.db2.gz NQMQZCCORBSFSO-UHFFFAOYSA-N 1 3 312.458 0.422 20 0 DCADHO COCCOCCN(C)CCC(=O)NC1(C)CC[NH2+]CC1 ZINC000638205971 417376661 /nfs/dbraw/zinc/37/66/61/417376661.db2.gz JAHTXLRBHICBHA-UHFFFAOYSA-N 1 3 301.431 0.230 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000529308466 417435243 /nfs/dbraw/zinc/43/52/43/417435243.db2.gz RGLLIQQYLCNYMF-CABCVRRESA-N 1 3 311.474 0.262 20 0 DCADHO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000529308466 417435247 /nfs/dbraw/zinc/43/52/47/417435247.db2.gz RGLLIQQYLCNYMF-CABCVRRESA-N 1 3 311.474 0.262 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000529308467 417435425 /nfs/dbraw/zinc/43/54/25/417435425.db2.gz RGLLIQQYLCNYMF-GJZGRUSLSA-N 1 3 311.474 0.262 20 0 DCADHO CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000529308467 417435429 /nfs/dbraw/zinc/43/54/29/417435429.db2.gz RGLLIQQYLCNYMF-GJZGRUSLSA-N 1 3 311.474 0.262 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000638370050 417435504 /nfs/dbraw/zinc/43/55/04/417435504.db2.gz WNTCSLCCBXZODW-CQSZACIVSA-N 1 3 305.426 0.849 20 0 DCADHO COC[C@]1(C(=O)NCCN(C)CCC[NH+](C)C)CCCCN1 ZINC000638410137 417446340 /nfs/dbraw/zinc/44/63/40/417446340.db2.gz WFKPORYHSDJAEK-INIZCTEOSA-N 1 3 314.474 0.145 20 0 DCADHO O=C(CN1CC[NH2+]CC1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000638418960 417449950 /nfs/dbraw/zinc/44/99/50/417449950.db2.gz PWKBLLNMKWJWPB-HNNXBMFYSA-N 1 3 304.394 0.191 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000638423133 417453997 /nfs/dbraw/zinc/45/39/97/417453997.db2.gz PBKVHCZZJYHLFL-CABCVRRESA-N 1 3 315.458 0.557 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000638442483 417458047 /nfs/dbraw/zinc/45/80/47/417458047.db2.gz VPKTZSMAUWHJEO-SOLBZPMBSA-N 1 3 316.449 0.786 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638526136 417482085 /nfs/dbraw/zinc/48/20/85/417482085.db2.gz FLKZKXXWWBRXMT-CQSZACIVSA-N 1 3 316.405 0.964 20 0 DCADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@@H]1COCCN1 ZINC000530224415 417552242 /nfs/dbraw/zinc/55/22/42/417552242.db2.gz MLOODRMGZGQXRE-UKPHBRMFSA-N 1 3 303.406 0.820 20 0 DCADHO CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC000452978930 417515561 /nfs/dbraw/zinc/51/55/61/417515561.db2.gz SSFMZLUUFZQPDN-BMFZPTHFSA-N 1 3 307.438 0.792 20 0 DCADHO CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC000452978930 417515566 /nfs/dbraw/zinc/51/55/66/417515566.db2.gz SSFMZLUUFZQPDN-BMFZPTHFSA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000576149216 417584510 /nfs/dbraw/zinc/58/45/10/417584510.db2.gz ONMLYMBORHOKHL-TWMKSMIVSA-N 1 3 313.486 0.778 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000576149216 417584511 /nfs/dbraw/zinc/58/45/11/417584511.db2.gz ONMLYMBORHOKHL-TWMKSMIVSA-N 1 3 313.486 0.778 20 0 DCADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000576149216 417584513 /nfs/dbraw/zinc/58/45/13/417584513.db2.gz ONMLYMBORHOKHL-TWMKSMIVSA-N 1 3 313.486 0.778 20 0 DCADHO C[C@]1(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC[NH2+]C1 ZINC000575987215 417568753 /nfs/dbraw/zinc/56/87/53/417568753.db2.gz HSYMDDXPXHLREW-HNNXBMFYSA-N 1 3 300.366 0.869 20 0 DCADHO CN1CCN(CC2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC000635543645 417693404 /nfs/dbraw/zinc/69/34/04/417693404.db2.gz USJIGPQNOROTLX-UHFFFAOYSA-N 1 3 322.497 0.814 20 0 DCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)C1 ZINC000580423036 417699890 /nfs/dbraw/zinc/69/98/90/417699890.db2.gz BYORTTBPECWLQU-WDEREUQCSA-N 1 3 310.423 0.926 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635560260 417700265 /nfs/dbraw/zinc/70/02/65/417700265.db2.gz JUHCRWJLTOYAAO-JKSUJKDBSA-N 1 3 310.486 0.718 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635560260 417700271 /nfs/dbraw/zinc/70/02/71/417700271.db2.gz JUHCRWJLTOYAAO-JKSUJKDBSA-N 1 3 310.486 0.718 20 0 DCADHO CN1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645116145 417703994 /nfs/dbraw/zinc/70/39/94/417703994.db2.gz KDDVUNTYODRELM-UHFFFAOYSA-N 1 3 310.442 0.587 20 0 DCADHO O[C@@H](CN1CCOCC1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682297 417715557 /nfs/dbraw/zinc/71/55/57/417715557.db2.gz RTWYHLYNAZNRQV-QGZVFWFLSA-N 1 3 320.437 0.287 20 0 DCADHO CC[NH+](CC)CCSCC(=O)N1CCN(C)C[C@H]1CN ZINC000580649875 417719769 /nfs/dbraw/zinc/71/97/69/417719769.db2.gz NKRYXMIAQRIPPV-CYBMUJFWSA-N 1 3 302.488 0.163 20 0 DCADHO NC(C(=O)NCC1CC[NH+](C2CCOCC2)CC1)C(F)(F)F ZINC000662614676 417823031 /nfs/dbraw/zinc/82/30/31/417823031.db2.gz UFALLCPJIYIQMT-LBPRGKRZSA-N 1 3 323.359 0.883 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000662621493 417824578 /nfs/dbraw/zinc/82/45/78/417824578.db2.gz IBNCUOFCKXTZLF-QWHCGFSZSA-N 1 3 320.441 0.805 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000645953365 417830855 /nfs/dbraw/zinc/83/08/55/417830855.db2.gz QWNUROKFWAYTML-ZDUSSCGKSA-N 1 3 318.425 0.417 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C[C@H]1C[NH3+] ZINC000652165842 417856033 /nfs/dbraw/zinc/85/60/33/417856033.db2.gz CBQJEWRPLNPKRD-RGCMKSIDSA-N 1 3 310.442 0.617 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H](C)O1 ZINC000662689296 417856197 /nfs/dbraw/zinc/85/61/97/417856197.db2.gz TVIVCIKSTMJFIW-BARDWOONSA-N 1 3 313.442 0.356 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646523193 417861246 /nfs/dbraw/zinc/86/12/46/417861246.db2.gz KHTNKJOFAHYTLG-LBPRGKRZSA-N 1 3 306.414 0.196 20 0 DCADHO O=C(C[C@H]1CSCC[NH2+]1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000662707496 417863787 /nfs/dbraw/zinc/86/37/87/417863787.db2.gz GBAYNINERRYEQX-UONOGXRCSA-N 1 3 313.467 0.451 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712128 417866590 /nfs/dbraw/zinc/86/65/90/417866590.db2.gz RILVADPZFQEREU-AAEUAGOBSA-N 1 3 323.359 0.755 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000662730539 417877600 /nfs/dbraw/zinc/87/76/00/417877600.db2.gz IMDQYFAECPJHPZ-BMFZPTHFSA-N 1 3 305.422 0.987 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000631464140 417883661 /nfs/dbraw/zinc/88/36/61/417883661.db2.gz FGXCWKVVGJGRGY-HIFRSBDPSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000631464140 417883664 /nfs/dbraw/zinc/88/36/64/417883664.db2.gz FGXCWKVVGJGRGY-HIFRSBDPSA-N 1 3 307.442 0.857 20 0 DCADHO CCC[C@@](C)(N)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662747520 417885735 /nfs/dbraw/zinc/88/57/35/417885735.db2.gz WOYDITUTTHOIKC-MRXNPFEDSA-N 1 3 312.458 0.611 20 0 DCADHO CN1CCN(CCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662754391 417893312 /nfs/dbraw/zinc/89/33/12/417893312.db2.gz MDTPOERAYDTPEY-QGZVFWFLSA-N 1 3 316.449 0.975 20 0 DCADHO CNS(=O)(=O)CCCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363068 417893910 /nfs/dbraw/zinc/89/39/10/417893910.db2.gz XFVWNVGVTRPXTA-MGPQQGTHSA-N 1 3 319.471 0.287 20 0 DCADHO C[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)CN1CCN(C)CC1 ZINC000662759460 417895501 /nfs/dbraw/zinc/89/55/01/417895501.db2.gz XIZPMRXQUUUVJK-CQSZACIVSA-N 1 3 308.470 0.648 20 0 DCADHO O=C(NC[C@@H]1C[C@H](F)CN1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662779778 417902290 /nfs/dbraw/zinc/90/22/90/417902290.db2.gz OPLZFDQVVVGMKK-SDDRHHMPSA-N 1 3 310.377 0.023 20 0 DCADHO C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663018633 417977830 /nfs/dbraw/zinc/97/78/30/417977830.db2.gz XRJSCIBNJWWDTO-QWHCGFSZSA-N 1 3 320.441 0.133 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055004 417978957 /nfs/dbraw/zinc/97/89/57/417978957.db2.gz HJXNILJBXJAFAL-ZBYUQBLASA-N 1 3 307.438 0.777 20 0 DCADHO O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1CCN(C2CC2)C1 ZINC000631734911 417929216 /nfs/dbraw/zinc/92/92/16/417929216.db2.gz KCTCVHNIIKDOQT-CQSZACIVSA-N 1 3 315.483 0.876 20 0 DCADHO CCO[C@@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000652581204 417929740 /nfs/dbraw/zinc/92/97/40/417929740.db2.gz SGUASRPHESMWRB-TZMCWYRMSA-N 1 3 324.429 0.272 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CN1CCCC[C@H](N)C1=O ZINC000662887212 417938719 /nfs/dbraw/zinc/93/87/19/417938719.db2.gz VFWLUTAPNAVDLK-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CN1CCCC[C@@H](N)C1=O ZINC000662887215 417939414 /nfs/dbraw/zinc/93/94/14/417939414.db2.gz VFWLUTAPNAVDLK-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO [NH3+]CCC1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000652676371 417940488 /nfs/dbraw/zinc/94/04/88/417940488.db2.gz VVBBWAMCYYNPRN-UHFFFAOYSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N(C)C1CC1 ZINC000652686567 417945022 /nfs/dbraw/zinc/94/50/22/417945022.db2.gz KEZQDRMRCJMEMF-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000652695820 417946614 /nfs/dbraw/zinc/94/66/14/417946614.db2.gz BEIXFEKZIHZEKF-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652731189 417958099 /nfs/dbraw/zinc/95/80/99/417958099.db2.gz DATNGLNSISLKDB-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@@H]1C[NH3+] ZINC000652732192 417959435 /nfs/dbraw/zinc/95/94/35/417959435.db2.gz FVNPZDMPMRDJOI-CABCVRRESA-N 1 3 324.469 0.374 20 0 DCADHO O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000641090313 417968980 /nfs/dbraw/zinc/96/89/80/417968980.db2.gz GPLNXOKYPQHMSF-INIZCTEOSA-N 1 3 324.469 0.882 20 0 DCADHO CN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663446989 418021238 /nfs/dbraw/zinc/02/12/38/418021238.db2.gz RHSWUYQOUMQRTB-HNNXBMFYSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663446989 418021240 /nfs/dbraw/zinc/02/12/40/418021240.db2.gz RHSWUYQOUMQRTB-HNNXBMFYSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H](N)CC[NH+](C)C)C[C@H](C)O1 ZINC000653110994 418027767 /nfs/dbraw/zinc/02/77/67/418027767.db2.gz AHIZSPILGUJVOX-ZNMIVQPWSA-N 1 3 314.474 0.271 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000647597222 418031242 /nfs/dbraw/zinc/03/12/42/418031242.db2.gz VXAMDZIXBBUTBR-CHWSQXEVSA-N 1 3 324.425 0.412 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)C[C@H]2N)cn1 ZINC000653166589 418040610 /nfs/dbraw/zinc/04/06/10/418040610.db2.gz OMOACILBPVTEGW-LJISPDSOSA-N 1 3 303.410 0.204 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659521007 418110569 /nfs/dbraw/zinc/11/05/69/418110569.db2.gz BFLGMXAOXWENRP-GJZGRUSLSA-N 1 3 312.458 0.912 20 0 DCADHO CC(C)([NH3+])CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659519665 418110840 /nfs/dbraw/zinc/11/08/40/418110840.db2.gz BMQIUTDPEWYEIM-HNNXBMFYSA-N 1 3 320.437 0.790 20 0 DCADHO CN(CCN1CCCCC1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000653274275 418050338 /nfs/dbraw/zinc/05/03/38/418050338.db2.gz BTTIENVWXWDVBX-CQSZACIVSA-N 1 3 320.441 0.588 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000659103701 418060691 /nfs/dbraw/zinc/06/06/91/418060691.db2.gz UVINBIUIIYGSLI-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO CN(CCCC1CC[NH2+]CC1)CCN1CCCS1(=O)=O ZINC000647995256 418084791 /nfs/dbraw/zinc/08/47/91/418084791.db2.gz JKGJKWCVSRSBHP-UHFFFAOYSA-N 1 3 303.472 0.734 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2ncnn2c1 ZINC000653622161 418097428 /nfs/dbraw/zinc/09/74/28/418097428.db2.gz RYNJKWFTXNEYHS-UHFFFAOYSA-N 1 3 319.413 0.686 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2([NH3+])CCCCCC2)n1 ZINC000659505285 418107513 /nfs/dbraw/zinc/10/75/13/418107513.db2.gz LJPFAIXABGYPAZ-UHFFFAOYSA-N 1 3 322.413 0.492 20 0 DCADHO C[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659607604 418125032 /nfs/dbraw/zinc/12/50/32/418125032.db2.gz CEMATJIGUFERSX-IIAWOOMASA-N 1 3 324.469 0.866 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000654373354 418137611 /nfs/dbraw/zinc/13/76/11/418137611.db2.gz ACFYUIRAJWZRLL-FXUDXRNXSA-N 1 3 324.469 0.567 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000654373354 418137614 /nfs/dbraw/zinc/13/76/14/418137614.db2.gz ACFYUIRAJWZRLL-FXUDXRNXSA-N 1 3 324.469 0.567 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380870 418138126 /nfs/dbraw/zinc/13/81/26/418138126.db2.gz IINAZOHSLKYTCG-CBBWQLFWSA-N 1 3 308.426 0.074 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380870 418138130 /nfs/dbraw/zinc/13/81/30/418138130.db2.gz IINAZOHSLKYTCG-CBBWQLFWSA-N 1 3 308.426 0.074 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659757294 418177355 /nfs/dbraw/zinc/17/73/55/418177355.db2.gz WJNZDGADPLRWPV-GFCCVEGCSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(n1)OCCO2 ZINC000654732501 418180792 /nfs/dbraw/zinc/18/07/92/418180792.db2.gz AFBXESZPVHJSHN-UHFFFAOYSA-N 1 3 322.409 0.418 20 0 DCADHO CCC[NH+]1CCC(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654414824 418141382 /nfs/dbraw/zinc/14/13/82/418141382.db2.gz XHUFIGSOMCJURQ-JKSUJKDBSA-N 1 3 324.469 0.569 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000659681452 418145274 /nfs/dbraw/zinc/14/52/74/418145274.db2.gz VTUXMFBWIZANHP-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[NH+]1CCC(CNC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659680997 418145311 /nfs/dbraw/zinc/14/53/11/418145311.db2.gz VAHIETUGOJYIOC-UHFFFAOYSA-N 1 3 322.453 0.174 20 0 DCADHO C[NH+](C)CCOc1ccccc1C(=O)N1CCOC2(CNC2)C1 ZINC000664723848 418148880 /nfs/dbraw/zinc/14/88/80/418148880.db2.gz DLQRPGXORPHKSJ-UHFFFAOYSA-N 1 3 319.405 0.441 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000659702157 418152337 /nfs/dbraw/zinc/15/23/37/418152337.db2.gz OBHCKVOWXUJMBM-GXTWGEPZSA-N 1 3 310.442 0.243 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000648760663 418152390 /nfs/dbraw/zinc/15/23/90/418152390.db2.gz HVUOPKBOSYJQLJ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000648760663 418152394 /nfs/dbraw/zinc/15/23/94/418152394.db2.gz HVUOPKBOSYJQLJ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659709723 418156592 /nfs/dbraw/zinc/15/65/92/418156592.db2.gz KYXSEDNPFYTZJT-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000654528332 418157607 /nfs/dbraw/zinc/15/76/07/418157607.db2.gz QZYXLWGQVVFLPV-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659713024 418158364 /nfs/dbraw/zinc/15/83/64/418158364.db2.gz AEMRUXFBIJZVGY-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCCC1 ZINC000659732144 418167000 /nfs/dbraw/zinc/16/70/00/418167000.db2.gz JZKXHDXFWCKQBX-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000659730521 418167636 /nfs/dbraw/zinc/16/76/36/418167636.db2.gz XQGAZASHNGTMMC-AVGNSLFASA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C[C@H]1[NH3+] ZINC000659734796 418168362 /nfs/dbraw/zinc/16/83/62/418168362.db2.gz CCSJYNBILXDFMJ-VNHYZAJKSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCC2)CCN1C ZINC000659732857 418168510 /nfs/dbraw/zinc/16/85/10/418168510.db2.gz UVNDJPPQVDBNTD-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000659738202 418170337 /nfs/dbraw/zinc/17/03/37/418170337.db2.gz BKNKHDJBWWPNIO-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH2+]CC)CC2)C1 ZINC000659738197 418171068 /nfs/dbraw/zinc/17/10/68/418171068.db2.gz BJAVEMINFQURKQ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654659527 418173068 /nfs/dbraw/zinc/17/30/68/418173068.db2.gz IQIVYMSYPUBNNY-OKILXGFUSA-N 1 3 312.458 0.737 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000659745065 418174308 /nfs/dbraw/zinc/17/43/08/418174308.db2.gz VKGOOICVJKIITE-ZIAGYGMSSA-N 1 3 312.458 0.417 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CNCCC1(F)F ZINC000649344600 418244379 /nfs/dbraw/zinc/24/43/79/418244379.db2.gz FRFOKOLVEXAVKB-RYUDHWBXSA-N 1 3 307.385 0.704 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000649352622 418247406 /nfs/dbraw/zinc/24/74/06/418247406.db2.gz ALPXLVSWUWJCSR-RDJZCZTQSA-N 1 3 308.470 0.615 20 0 DCADHO CN(CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cc[nH+]cc1 ZINC000655295762 418249478 /nfs/dbraw/zinc/24/94/78/418249478.db2.gz ISVLKSCWCZUDKC-LSDHHAIUSA-N 1 3 304.394 0.185 20 0 DCADHO c1ccn2c(c1)nnc2C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000649411353 418252258 /nfs/dbraw/zinc/25/22/58/418252258.db2.gz LXUQRTRVEACIAA-UHFFFAOYSA-N 1 3 314.437 0.814 20 0 DCADHO CN1CCN(C(=O)CC2CCN(C[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000649412448 418252321 /nfs/dbraw/zinc/25/23/21/418252321.db2.gz MHPFIVWWIJDSHV-MRXNPFEDSA-N 1 3 308.470 0.472 20 0 DCADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294030 418193502 /nfs/dbraw/zinc/19/35/02/418193502.db2.gz HBRHRTXMCVEYRB-BXUZGUMPSA-N 1 3 301.394 0.689 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000649234741 418213321 /nfs/dbraw/zinc/21/33/21/418213321.db2.gz OEMXSXXJIBUPHO-GJZGRUSLSA-N 1 3 324.469 0.829 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000649234741 418213322 /nfs/dbraw/zinc/21/33/22/418213322.db2.gz OEMXSXXJIBUPHO-GJZGRUSLSA-N 1 3 324.469 0.829 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000649288709 418222913 /nfs/dbraw/zinc/22/29/13/418222913.db2.gz ACQXTGHWFPOUIP-ZSHCYNCHSA-N 1 3 303.406 0.709 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655909426 418298777 /nfs/dbraw/zinc/29/87/77/418298777.db2.gz JRHIEOXICNLZDT-LSDHHAIUSA-N 1 3 304.394 0.689 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000655973949 418310384 /nfs/dbraw/zinc/31/03/84/418310384.db2.gz KXSVOXGVWKZQFW-XGUBFFRZSA-N 1 3 310.442 0.761 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656027518 418321615 /nfs/dbraw/zinc/32/16/15/418321615.db2.gz CGDFUHPWPBBRNO-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449612 418262975 /nfs/dbraw/zinc/26/29/75/418262975.db2.gz LLVZXARALXUKLV-FUHWJXTLSA-N 1 3 322.497 0.910 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449330 418263588 /nfs/dbraw/zinc/26/35/88/418263588.db2.gz BWHPJOVJLMRBDR-HLLBOEOZSA-N 1 3 308.470 0.518 20 0 DCADHO [NH3+][C@@H](CO)Cc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656456199 418355586 /nfs/dbraw/zinc/35/55/86/418355586.db2.gz TXLQXDCRGAEVDR-ZBFHGGJFSA-N 1 3 301.394 0.587 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662441418 418409808 /nfs/dbraw/zinc/40/98/08/418409808.db2.gz HIRRYIAVBUJYAJ-STQMWFEESA-N 1 3 321.425 0.327 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662450755 418410827 /nfs/dbraw/zinc/41/08/27/418410827.db2.gz DYLVDTCLYVCTJG-STQMWFEESA-N 1 3 303.410 0.701 20 0 DCADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC1CCOCC1 ZINC000662295981 418399813 /nfs/dbraw/zinc/39/98/13/418399813.db2.gz JORAOZHIYDUCSE-HNNXBMFYSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000471636334 287517149 /nfs/dbraw/zinc/51/71/49/287517149.db2.gz QZMFLUQPVKHAER-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO CC(C)[C@@H](CNC(=O)NCCOCCN(C)C)[NH+]1CCCC1 ZINC000471648479 287519378 /nfs/dbraw/zinc/51/93/78/287519378.db2.gz VEIYJKFDKYUEBZ-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH3+])CCCCC2)CC1=O ZINC000237161932 261158522 /nfs/dbraw/zinc/15/85/22/261158522.db2.gz CNFQEEDSKZKGAD-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC1([NH+](C)C)CCC1)C1CC1 ZINC000354668722 261254543 /nfs/dbraw/zinc/25/45/43/261254543.db2.gz APIJJBZWEFJKMQ-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000354743584 261266601 /nfs/dbraw/zinc/26/66/01/261266601.db2.gz RMDGOHYVSXTADJ-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000355318068 261329830 /nfs/dbraw/zinc/32/98/30/261329830.db2.gz NDFJOOFTXXFSMF-MCIONIFRSA-N 1 3 314.474 0.630 20 0 DCADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363183208 262104208 /nfs/dbraw/zinc/10/42/08/262104208.db2.gz PYYBYXSDDAUHCN-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COC[C@]1(CNC(=O)N[C@@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000417025554 262243957 /nfs/dbraw/zinc/24/39/57/262243957.db2.gz MZQODGINPJINGD-GOEBONIOSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417048275 262244237 /nfs/dbraw/zinc/24/42/37/262244237.db2.gz RJUUHUZFKHEPJE-HUUCEWRRSA-N 1 3 312.458 0.786 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417048275 262244240 /nfs/dbraw/zinc/24/42/40/262244240.db2.gz RJUUHUZFKHEPJE-HUUCEWRRSA-N 1 3 312.458 0.786 20 0 DCADHO COCCN(C)CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417087327 262245699 /nfs/dbraw/zinc/24/56/99/262245699.db2.gz FEELODNJDFAVRX-KKUMJFAQSA-N 1 3 312.458 0.724 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000417748934 262260088 /nfs/dbraw/zinc/26/00/88/262260088.db2.gz IXXWXDUSNSGRLE-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000417813365 262262649 /nfs/dbraw/zinc/26/26/49/262262649.db2.gz GJMSLJKAVVDWOP-JSGCOSHPSA-N 1 3 300.472 0.817 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@H](CC[NH3+])C(F)F)CCSC1 ZINC000417832128 262263099 /nfs/dbraw/zinc/26/30/99/262263099.db2.gz RAFLDZCGPANUCU-SKDRFNHKSA-N 1 3 310.414 0.705 20 0 DCADHO CC(C)(C[NH3+])NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417992770 262267012 /nfs/dbraw/zinc/26/70/12/262267012.db2.gz NBTDSALXSQHYLK-HNNXBMFYSA-N 1 3 320.437 0.790 20 0 DCADHO [NH3+]CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078442 262269258 /nfs/dbraw/zinc/26/92/58/262269258.db2.gz VWERTQBDHWPGSH-OAHLLOKOSA-N 1 3 306.410 0.535 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000418323379 262274688 /nfs/dbraw/zinc/27/46/88/262274688.db2.gz UTCAWBTURPRJDK-LSDHHAIUSA-N 1 3 312.458 0.378 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418371075 262275729 /nfs/dbraw/zinc/27/57/29/262275729.db2.gz QPCPLOGBASQCJI-CQSZACIVSA-N 1 3 312.458 0.596 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418433767 262278297 /nfs/dbraw/zinc/27/82/97/262278297.db2.gz DHQGJMZDRJEMCC-KBPBESRZSA-N 1 3 300.447 0.506 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](C)CC[NH3+] ZINC000418515984 262280086 /nfs/dbraw/zinc/28/00/86/262280086.db2.gz BYUGYXXEQOTMTR-OAHLLOKOSA-N 1 3 313.490 0.783 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418683144 262286477 /nfs/dbraw/zinc/28/64/77/262286477.db2.gz IZKBKVJSFFLVNC-SOUVJXGZSA-N 1 3 304.394 0.030 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@@H]1CNCCC1(F)F ZINC000418745818 262287144 /nfs/dbraw/zinc/28/71/44/262287144.db2.gz WOFZFHNZFPKTQF-TZMBILIQSA-N 1 3 302.369 0.799 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418828263 262291730 /nfs/dbraw/zinc/29/17/30/262291730.db2.gz CUYVJXXVCZOOBZ-DZGCQCFKSA-N 1 3 320.437 0.129 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000418826096 262291759 /nfs/dbraw/zinc/29/17/59/262291759.db2.gz CDPHOOGKZSFKML-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCCCC1 ZINC000418829486 262292008 /nfs/dbraw/zinc/29/20/08/262292008.db2.gz GVKHUZIMGJNZEX-UHFFFAOYSA-N 1 3 310.442 0.365 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000418846812 262292540 /nfs/dbraw/zinc/29/25/40/262292540.db2.gz ZAZCTGLVUQBYTP-AWEZNQCLSA-N 1 3 312.458 0.609 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000419004418 262303151 /nfs/dbraw/zinc/30/31/51/262303151.db2.gz REBAWLXCLWKUAD-AWEZNQCLSA-N 1 3 310.442 0.078 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000419008209 262303807 /nfs/dbraw/zinc/30/38/07/262303807.db2.gz VFIPNOZROYUMSI-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419017510 262305762 /nfs/dbraw/zinc/30/57/62/262305762.db2.gz AYAQKVSJSXWPGJ-KBXIAJHMSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419075886 262306757 /nfs/dbraw/zinc/30/67/57/262306757.db2.gz GUURLPPRQCTHTB-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419080675 262307400 /nfs/dbraw/zinc/30/74/00/262307400.db2.gz PXTIGNSXPQXXFB-SOUVJXGZSA-N 1 3 324.469 0.611 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419126469 262310704 /nfs/dbraw/zinc/31/07/04/262310704.db2.gz WYLFQCKCXGKROW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419123473 262311010 /nfs/dbraw/zinc/31/10/10/262311010.db2.gz PPVNRGJPYQATKC-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000419124199 262311113 /nfs/dbraw/zinc/31/11/13/262311113.db2.gz XFHPUWCDPOAVGQ-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419134372 262312674 /nfs/dbraw/zinc/31/26/74/262312674.db2.gz HIAMWIYUENEMBR-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419134372 262312675 /nfs/dbraw/zinc/31/26/75/262312675.db2.gz HIAMWIYUENEMBR-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419161248 262315084 /nfs/dbraw/zinc/31/50/84/262315084.db2.gz RKSDPGBFJBFTND-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419168123 262315931 /nfs/dbraw/zinc/31/59/31/262315931.db2.gz KDTUCGOVOFJWMR-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419169213 262316431 /nfs/dbraw/zinc/31/64/31/262316431.db2.gz MBOKMTAUJSXYER-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419280330 262324052 /nfs/dbraw/zinc/32/40/52/262324052.db2.gz FKULUPQNVLRHGQ-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419405037 262330564 /nfs/dbraw/zinc/33/05/64/262330564.db2.gz HASLCOROVKHQIU-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000419418441 262332090 /nfs/dbraw/zinc/33/20/90/262332090.db2.gz YHXGXUOEUXGFIU-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419968243 262354641 /nfs/dbraw/zinc/35/46/41/262354641.db2.gz PQHSSBXRURVMNO-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419993029 262356342 /nfs/dbraw/zinc/35/63/42/262356342.db2.gz KDMUCQRCEAHQRN-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420061890 262358364 /nfs/dbraw/zinc/35/83/64/262358364.db2.gz BJZXZORIFTUZGA-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CCC1 ZINC000420091548 262360273 /nfs/dbraw/zinc/36/02/73/262360273.db2.gz NAGQOKIIPQBDJF-CYBMUJFWSA-N 1 3 308.426 0.071 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420099643 262360668 /nfs/dbraw/zinc/36/06/68/262360668.db2.gz FMQZPGOSGHVSIS-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420096362 262360791 /nfs/dbraw/zinc/36/07/91/262360791.db2.gz ZPRMJVIYMHTFSU-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420096362 262360792 /nfs/dbraw/zinc/36/07/92/262360792.db2.gz ZPRMJVIYMHTFSU-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC000420284930 262369558 /nfs/dbraw/zinc/36/95/58/262369558.db2.gz DENZGUFZFJMMSB-GOEBONIOSA-N 1 3 304.438 0.699 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423370066 262441367 /nfs/dbraw/zinc/44/13/67/262441367.db2.gz GPIKEHUYQCQYAD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424453153 262499087 /nfs/dbraw/zinc/49/90/87/262499087.db2.gz JXWUCAOOTRAMPZ-AEGPPILISA-N 1 3 322.457 0.587 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCOCCN(C)C ZINC000355351862 271005296 /nfs/dbraw/zinc/00/52/96/271005296.db2.gz PLMHDLFSLYCPGJ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCOCCN(C)C ZINC000355351862 271005299 /nfs/dbraw/zinc/00/52/99/271005299.db2.gz PLMHDLFSLYCPGJ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCN(CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C1CC1 ZINC000355895646 271029828 /nfs/dbraw/zinc/02/98/28/271029828.db2.gz XHZBDARDSUPTMJ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COCCCN(C)CCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000357140261 271045381 /nfs/dbraw/zinc/04/53/81/271045381.db2.gz KNIWTWPWENHYET-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)CN(C)C)CC1 ZINC000358521306 271054886 /nfs/dbraw/zinc/05/48/86/271054886.db2.gz IKRVHLWSQSMTLU-CYBMUJFWSA-N 1 3 300.447 0.471 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418717942 271252352 /nfs/dbraw/zinc/25/23/52/271252352.db2.gz TVZDOLTYQSZFPV-VXGBXAGGSA-N 1 3 322.400 0.361 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419028427 271265513 /nfs/dbraw/zinc/26/55/13/271265513.db2.gz QJIHOXHPQNJJCY-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)CCN)c1 ZINC000419031988 271267815 /nfs/dbraw/zinc/26/78/15/271267815.db2.gz VKTJZMXVHXWFSC-UHFFFAOYSA-N 1 3 306.410 0.172 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)CCN)c1 ZINC000419031988 271267817 /nfs/dbraw/zinc/26/78/17/271267817.db2.gz VKTJZMXVHXWFSC-UHFFFAOYSA-N 1 3 306.410 0.172 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419030221 271267891 /nfs/dbraw/zinc/26/78/91/271267891.db2.gz SSFNQDFVBOZVHF-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CCNC(=O)C(=O)NCCN)[N@H+](C)Cc1ccccc1 ZINC000419187183 271277282 /nfs/dbraw/zinc/27/72/82/271277282.db2.gz FTFXVJPGEPCBMX-CYBMUJFWSA-N 1 3 306.410 0.088 20 0 DCADHO C[C@H](CCNC(=O)C(=O)NCCN)[N@@H+](C)Cc1ccccc1 ZINC000419187183 271277287 /nfs/dbraw/zinc/27/72/87/271277287.db2.gz FTFXVJPGEPCBMX-CYBMUJFWSA-N 1 3 306.410 0.088 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000419244690 271278663 /nfs/dbraw/zinc/27/86/63/271278663.db2.gz VJEIQQSEJBVNFJ-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419403011 271288790 /nfs/dbraw/zinc/28/87/90/271288790.db2.gz CYGWZCLGINLOSI-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419403471 271289233 /nfs/dbraw/zinc/28/92/33/271289233.db2.gz DYFGAWXFJQAOGH-LSDHHAIUSA-N 1 3 324.469 0.468 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419520972 271296713 /nfs/dbraw/zinc/29/67/13/271296713.db2.gz JEHVWYHRJHKREQ-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419530426 271298404 /nfs/dbraw/zinc/29/84/04/271298404.db2.gz ZHUPUNJROKZIQK-BBRMVZONSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000419537901 271300862 /nfs/dbraw/zinc/30/08/62/271300862.db2.gz DJVCSXHWXFZGIM-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419576260 271309164 /nfs/dbraw/zinc/30/91/64/271309164.db2.gz BQPRMUKGEQODSU-OCCSQVGLSA-N 1 3 312.458 0.417 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419576341 271310171 /nfs/dbraw/zinc/31/01/71/271310171.db2.gz CCBKJMAXUOZJFA-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@@H](C)N(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000419581597 271311011 /nfs/dbraw/zinc/31/10/11/271311011.db2.gz IQXWPTNRYKRNKO-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419652395 271315650 /nfs/dbraw/zinc/31/56/50/271315650.db2.gz PRRVHTMDVFDWJO-ZDUSSCGKSA-N 1 3 320.437 0.568 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419704450 271323594 /nfs/dbraw/zinc/32/35/94/271323594.db2.gz XZKFNWKHOZDKLP-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419887579 271338056 /nfs/dbraw/zinc/33/80/56/271338056.db2.gz FGFLCDOKYKZCGU-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419887530 271338550 /nfs/dbraw/zinc/33/85/50/271338550.db2.gz QODCCZDMHOVSAX-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(C)C ZINC000419903974 271342146 /nfs/dbraw/zinc/34/21/46/271342146.db2.gz AYRPQDJYKKHBMN-OAHLLOKOSA-N 1 3 320.437 0.649 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(C)C ZINC000419903974 271342149 /nfs/dbraw/zinc/34/21/49/271342149.db2.gz AYRPQDJYKKHBMN-OAHLLOKOSA-N 1 3 320.437 0.649 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419940748 271346931 /nfs/dbraw/zinc/34/69/31/271346931.db2.gz VCZBVONKITUVKI-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420017499 271353217 /nfs/dbraw/zinc/35/32/17/271353217.db2.gz OERZTSYTBAONPA-MJBXVCDLSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)CC1 ZINC000424065352 271397024 /nfs/dbraw/zinc/39/70/24/271397024.db2.gz FBFIRQUFIWATHR-XHSDSOJGSA-N 1 3 310.486 0.846 20 0 DCADHO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000515299357 287651404 /nfs/dbraw/zinc/65/14/04/287651404.db2.gz VKEGLQSMLIKMCS-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000516189038 287662622 /nfs/dbraw/zinc/66/26/22/287662622.db2.gz GGYQAKNYHDYSPL-UHFFFAOYSA-N 1 3 310.442 0.128 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](C)CN1 ZINC000333132216 287901912 /nfs/dbraw/zinc/90/19/12/287901912.db2.gz BWNDDFYASTUGTE-RRCSTGOVSA-N 1 3 324.469 0.756 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423662949 278230583 /nfs/dbraw/zinc/23/05/83/278230583.db2.gz CKZCUXGXKWKMLD-MELADBBJSA-N 1 3 310.442 0.267 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000340118553 279362212 /nfs/dbraw/zinc/36/22/12/279362212.db2.gz DOUHPIMUNOJWGW-PMPSAXMXSA-N 1 3 310.486 0.751 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000236884390 279362302 /nfs/dbraw/zinc/36/23/02/279362302.db2.gz NEWBHLASIYZZNK-WBVHZDCISA-N 1 3 310.486 0.766 20 0 DCADHO CC1CCN(CCNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000333944212 281815945 /nfs/dbraw/zinc/81/59/45/281815945.db2.gz RSPNFXUNLIRNME-MRXNPFEDSA-N 1 3 323.485 0.407 20 0 DCADHO O=C(CN1CCN(CC[C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000563215317 288649513 /nfs/dbraw/zinc/64/95/13/288649513.db2.gz AYWPQNWTKZWZQW-MRXNPFEDSA-N 1 3 308.470 0.616 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(CC[NH3+])CC2)CC1 ZINC000563275548 288656864 /nfs/dbraw/zinc/65/68/64/288656864.db2.gz NGHYTJDDUGVICD-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO N[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1CCOCC1 ZINC000570631449 332786076 /nfs/dbraw/zinc/78/60/76/332786076.db2.gz YJXTUCIQPHVIRV-NUEKZKHPSA-N 1 3 321.396 0.833 20 0 DCADHO CCN(CC[NH2+]CCc1ccnn1C)C(=O)CN1CCCC1 ZINC001568798275 1160777468 /nfs/dbraw/zinc/77/74/68/1160777468.db2.gz ZHDDNXFBJFMTFQ-UHFFFAOYSA-N 1 3 307.442 0.497 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N(CCO)CCNC/C=C\Cl ZINC001569932741 1161330184 /nfs/dbraw/zinc/33/01/84/1161330184.db2.gz AYCSENFFEVLFOO-QLTUCANCSA-N 1 3 315.845 0.491 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369778512 517636104 /nfs/dbraw/zinc/63/61/04/517636104.db2.gz RDDXEYDLWFUAAB-HZPDHXFCSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3([NH3+])CCCC3)C2)CC1 ZINC000364849328 519682728 /nfs/dbraw/zinc/68/27/28/519682728.db2.gz GOVGSRNZMXACHO-OAHLLOKOSA-N 1 3 308.470 0.885 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC000158255901 521706662 /nfs/dbraw/zinc/70/66/62/521706662.db2.gz GQNQJTUYBHLCMX-ZIAGYGMSSA-N 1 3 321.487 0.262 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237083076 524039463 /nfs/dbraw/zinc/03/94/63/524039463.db2.gz HBAFXHKVEBABQT-KRWDZBQOSA-N 1 3 318.465 0.871 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000332561838 528975220 /nfs/dbraw/zinc/97/52/20/528975220.db2.gz QXALNSNAPUNHFU-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CCOC(=O)CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000420328137 535647949 /nfs/dbraw/zinc/64/79/49/535647949.db2.gz ZLMIVQHIZCHZFG-KGLIPLIRSA-N 1 3 311.426 0.520 20 0 DCADHO CNC(=O)[C@H](C)C[N@@H+](C)CC[C@@H](C)N(C)C[C@H](C)C(=O)NC ZINC000245680722 545962223 /nfs/dbraw/zinc/96/22/23/545962223.db2.gz KJPFTJYDLNXFJE-HZSPNIEDSA-N 1 3 314.474 0.393 20 0 DCADHO CNC(=O)[C@H](C)C[N@H+](C)CC[C@@H](C)N(C)C[C@H](C)C(=O)NC ZINC000245680722 545962227 /nfs/dbraw/zinc/96/22/27/545962227.db2.gz KJPFTJYDLNXFJE-HZSPNIEDSA-N 1 3 314.474 0.393 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000332917237 546065856 /nfs/dbraw/zinc/06/58/56/546065856.db2.gz YVFJYKRZKQJJLN-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000332917237 546065861 /nfs/dbraw/zinc/06/58/61/546065861.db2.gz YVFJYKRZKQJJLN-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CC1(C)NC(=O)N(CCCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000342086426 546118918 /nfs/dbraw/zinc/11/89/18/546118918.db2.gz OIOBEKVHGLDBIH-XQQFMLRXSA-N 1 3 308.426 0.766 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000343003619 546127798 /nfs/dbraw/zinc/12/77/98/546127798.db2.gz CQXPYKMVFYVZBP-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO COCC[NH+]1CCC(NC(=O)N2CCNC[C@@H]2C(C)C)CC1 ZINC000529299025 546287289 /nfs/dbraw/zinc/28/72/89/546287289.db2.gz LFIZLOCRLJYQQQ-OAHLLOKOSA-N 1 3 312.458 0.737 20 0 DCADHO CN(C)[C@@]1(CNC(=O)[C@]2(C[NH3+])CCCOC2)CCSC1 ZINC000638069714 546336861 /nfs/dbraw/zinc/33/68/61/546336861.db2.gz SLYOKPUCSKRABM-UONOGXRCSA-N 1 3 301.456 0.295 20 0 DCADHO COCC1(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665760716 546395163 /nfs/dbraw/zinc/39/51/63/546395163.db2.gz NWCMYWGXRYUBEQ-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO COCC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665760716 546395165 /nfs/dbraw/zinc/39/51/65/546395165.db2.gz NWCMYWGXRYUBEQ-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO CN1CCN(CCn2cc(-c3ccc(C[NH3+])cc3)nn2)CC1 ZINC000656437913 546366619 /nfs/dbraw/zinc/36/66/19/546366619.db2.gz OYCXREUHHURXDZ-UHFFFAOYSA-N 1 3 300.410 0.651 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@H]1CO ZINC000665761506 546394938 /nfs/dbraw/zinc/39/49/38/546394938.db2.gz GPQCZIXPGDGSOJ-QLFBSQMISA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@H]1CO ZINC000665761506 546394941 /nfs/dbraw/zinc/39/49/41/546394941.db2.gz GPQCZIXPGDGSOJ-QLFBSQMISA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1CCO ZINC000665761856 546396602 /nfs/dbraw/zinc/39/66/02/546396602.db2.gz RQTKRBAITAITOS-GJZGRUSLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1CCO ZINC000665761856 546396604 /nfs/dbraw/zinc/39/66/04/546396604.db2.gz RQTKRBAITAITOS-GJZGRUSLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000665763751 546396652 /nfs/dbraw/zinc/39/66/52/546396652.db2.gz KZSXELXZGCFVOM-KKUMJFAQSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)CC[C@@H]1C ZINC000665763751 546396655 /nfs/dbraw/zinc/39/66/55/546396655.db2.gz KZSXELXZGCFVOM-KKUMJFAQSA-N 1 3 314.474 0.813 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666663883 546495037 /nfs/dbraw/zinc/49/50/37/546495037.db2.gz UCCVUUWUSXXBKD-YOEHRIQHSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666663883 546495040 /nfs/dbraw/zinc/49/50/40/546495040.db2.gz UCCVUUWUSXXBKD-YOEHRIQHSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000666757648 546504194 /nfs/dbraw/zinc/50/41/94/546504194.db2.gz XKMBRFYOTXQLCI-ZBFHGGJFSA-N 1 3 312.458 0.473 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)NC/C=C/C[NH3+])c1 ZINC000669139249 546928016 /nfs/dbraw/zinc/92/80/16/546928016.db2.gz ZYRZAWFVUMHKKU-ONEGZZNKSA-N 1 3 306.410 0.941 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669473215 546974344 /nfs/dbraw/zinc/97/43/44/546974344.db2.gz PVYGLOQVYWSFMK-RBSFLKMASA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[N@@H+]1C ZINC000670435575 547088038 /nfs/dbraw/zinc/08/80/38/547088038.db2.gz CRBXYFUABPYHBS-BARDWOONSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[N@H+]1C ZINC000670435575 547088041 /nfs/dbraw/zinc/08/80/41/547088041.db2.gz CRBXYFUABPYHBS-BARDWOONSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1[NH+](C)C ZINC000670782894 547128515 /nfs/dbraw/zinc/12/85/15/547128515.db2.gz QNDMPGCMCSOGNQ-SWLSCSKDSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)N(C)C1CC1 ZINC000672014543 547313049 /nfs/dbraw/zinc/31/30/49/547313049.db2.gz VNBSYZOVUANTDD-CHWSQXEVSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](C[C@H]1CCOC1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000675425681 547680156 /nfs/dbraw/zinc/68/01/56/547680156.db2.gz BUEKDIXXKFSOQB-HUUCEWRRSA-N 1 3 314.474 0.936 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000683364209 548473427 /nfs/dbraw/zinc/47/34/27/548473427.db2.gz UCFBGLWKYOUSIG-OKILXGFUSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000683364209 548473432 /nfs/dbraw/zinc/47/34/32/548473432.db2.gz UCFBGLWKYOUSIG-OKILXGFUSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000683364209 548473434 /nfs/dbraw/zinc/47/34/34/548473434.db2.gz UCFBGLWKYOUSIG-OKILXGFUSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000683364209 548473440 /nfs/dbraw/zinc/47/34/40/548473440.db2.gz UCFBGLWKYOUSIG-OKILXGFUSA-N 1 3 314.474 0.676 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668554907 1174808539 /nfs/dbraw/zinc/80/85/39/1174808539.db2.gz FJOFBWONFYDHKN-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668554907 1174808544 /nfs/dbraw/zinc/80/85/44/1174808544.db2.gz FJOFBWONFYDHKN-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000977768813 660430900 /nfs/dbraw/zinc/43/09/00/660430900.db2.gz GRZPCQNNEPGEDW-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977768813 660430901 /nfs/dbraw/zinc/43/09/01/660430901.db2.gz GRZPCQNNEPGEDW-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680516 660611791 /nfs/dbraw/zinc/61/17/91/660611791.db2.gz GUBORYLWZMAGKZ-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680516 660611792 /nfs/dbraw/zinc/61/17/92/660611792.db2.gz GUBORYLWZMAGKZ-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2cnns2)CN1C(=O)CN1CCCC1 ZINC000980802432 661014129 /nfs/dbraw/zinc/01/41/29/661014129.db2.gz ZDLNBMFYYFRMHS-STQMWFEESA-N 1 3 323.466 0.961 20 0 DCADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC2(C1)CCCN(CCO)C2 ZINC000981843394 661232684 /nfs/dbraw/zinc/23/26/84/661232684.db2.gz ZWPBNSNZGRMWRR-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CC2(C1)CCCN(CCO)C2 ZINC000981843394 661232685 /nfs/dbraw/zinc/23/26/85/661232685.db2.gz ZWPBNSNZGRMWRR-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO O=C(NC[C@H]1CCN1CC[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001038926939 661270743 /nfs/dbraw/zinc/27/07/43/661270743.db2.gz SOXRNFKXJRIZKC-LSDHHAIUSA-N 1 3 307.438 0.699 20 0 DCADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001023086520 657489078 /nfs/dbraw/zinc/48/90/78/657489078.db2.gz OETJCVQNZSHSLQ-MCIONIFRSA-N 1 3 306.410 0.980 20 0 DCADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001023086520 657489083 /nfs/dbraw/zinc/48/90/83/657489083.db2.gz OETJCVQNZSHSLQ-MCIONIFRSA-N 1 3 306.410 0.980 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969152518 657508688 /nfs/dbraw/zinc/50/86/88/657508688.db2.gz XFSQBZXXIOGQCM-GFCCVEGCSA-N 1 3 310.442 0.315 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969152518 657508691 /nfs/dbraw/zinc/50/86/91/657508691.db2.gz XFSQBZXXIOGQCM-GFCCVEGCSA-N 1 3 310.442 0.315 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC000970483939 657561856 /nfs/dbraw/zinc/56/18/56/657561856.db2.gz NISKMKJCGNTPMU-QWHCGFSZSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC000970483939 657561863 /nfs/dbraw/zinc/56/18/63/657561863.db2.gz NISKMKJCGNTPMU-QWHCGFSZSA-N 1 3 306.414 0.145 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970800767 657916928 /nfs/dbraw/zinc/91/69/28/657916928.db2.gz UBRHPNQYYDKEND-HUUCEWRRSA-N 1 3 320.441 0.343 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020587621 658157450 /nfs/dbraw/zinc/15/74/50/658157450.db2.gz NTUOBPSSCGYTKU-BRXULGCHSA-N 1 3 315.433 0.817 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020589033 658161279 /nfs/dbraw/zinc/16/12/79/658161279.db2.gz VCVOIQSDSXARQT-DRZSPHRISA-N 1 3 323.466 0.925 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001020589033 658161282 /nfs/dbraw/zinc/16/12/82/658161282.db2.gz VCVOIQSDSXARQT-DRZSPHRISA-N 1 3 323.466 0.925 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001020586396 658163093 /nfs/dbraw/zinc/16/30/93/658163093.db2.gz NKNMQSPYHMKUJS-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001020591317 658171235 /nfs/dbraw/zinc/17/12/35/658171235.db2.gz KPPDLFAMMPUBBS-HDJSIYSDSA-N 1 3 320.441 0.247 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000892183785 658277849 /nfs/dbraw/zinc/27/78/49/658277849.db2.gz KWDSLLOZBSRKFH-UONOGXRCSA-N 1 3 310.442 0.586 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1)C(N)=O ZINC001020676269 658367754 /nfs/dbraw/zinc/36/77/54/658367754.db2.gz YZUFZGVSAFQGIY-AJNGGQMLSA-N 1 3 324.469 0.750 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCOC3)C2)C1 ZINC001022716422 658370877 /nfs/dbraw/zinc/37/08/77/658370877.db2.gz XJQGMLUTYIUQIZ-XUWVNRHRSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022721230 658389525 /nfs/dbraw/zinc/38/95/25/658389525.db2.gz VKPVKGRLFKQRJJ-BSLXNSKLSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022721230 658389537 /nfs/dbraw/zinc/38/95/37/658389537.db2.gz VKPVKGRLFKQRJJ-BSLXNSKLSA-N 1 3 306.410 0.918 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC000970103627 658468122 /nfs/dbraw/zinc/46/81/22/658468122.db2.gz QYMHCTPFQMBVKQ-CHWSQXEVSA-N 1 3 319.409 0.059 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022806799 658600012 /nfs/dbraw/zinc/60/00/12/658600012.db2.gz APTFNTNMPZQQRX-IGQOVBAYSA-N 1 3 310.442 0.360 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC1 ZINC000970178461 658702914 /nfs/dbraw/zinc/70/29/14/658702914.db2.gz SCZGLZLQQOCOTJ-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001021091514 658751453 /nfs/dbraw/zinc/75/14/53/658751453.db2.gz WFYPVJJZISCGGS-UBHSHLNASA-N 1 3 318.421 0.472 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001021091513 658751606 /nfs/dbraw/zinc/75/16/06/658751606.db2.gz WFYPVJJZISCGGS-MRVWCRGKSA-N 1 3 318.421 0.472 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001021093105 658751888 /nfs/dbraw/zinc/75/18/88/658751888.db2.gz ZWZHKPVRFZUGCX-SYQHCUMBSA-N 1 3 310.442 0.362 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001022068974 658827486 /nfs/dbraw/zinc/82/74/86/658827486.db2.gz FEAMPUUBXLCZSF-OWCLPIDISA-N 1 3 319.453 0.993 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001022077036 658836746 /nfs/dbraw/zinc/83/67/46/658836746.db2.gz IHVXJEXBNVAGPO-RWMBFGLXSA-N 1 3 310.442 0.362 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892330737 658901810 /nfs/dbraw/zinc/90/18/10/658901810.db2.gz MFUYBZZURCNLSZ-ILXRZTDVSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892330737 658901814 /nfs/dbraw/zinc/90/18/14/658901814.db2.gz MFUYBZZURCNLSZ-ILXRZTDVSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027216066 659086306 /nfs/dbraw/zinc/08/63/06/659086306.db2.gz QQLHFCRLRDQRCI-VXGBXAGGSA-N 1 3 309.439 0.428 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027216066 659086310 /nfs/dbraw/zinc/08/63/10/659086310.db2.gz QQLHFCRLRDQRCI-VXGBXAGGSA-N 1 3 309.439 0.428 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001027215988 659087697 /nfs/dbraw/zinc/08/76/97/659087697.db2.gz PUQXSPGKQZJXRU-OLZOCXBDSA-N 1 3 306.414 0.003 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001027215988 659087704 /nfs/dbraw/zinc/08/77/04/659087704.db2.gz PUQXSPGKQZJXRU-OLZOCXBDSA-N 1 3 306.414 0.003 20 0 DCADHO Cc1cnc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001027216889 659088068 /nfs/dbraw/zinc/08/80/68/659088068.db2.gz YVYWHOLTKNNXHV-GJZGRUSLSA-N 1 3 317.437 0.675 20 0 DCADHO Cc1cnc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001027216889 659088075 /nfs/dbraw/zinc/08/80/75/659088075.db2.gz YVYWHOLTKNNXHV-GJZGRUSLSA-N 1 3 317.437 0.675 20 0 DCADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001027216443 659088587 /nfs/dbraw/zinc/08/85/87/659088587.db2.gz UFMJOWFUXVQKMG-QWHCGFSZSA-N 1 3 322.409 0.573 20 0 DCADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027216443 659088591 /nfs/dbraw/zinc/08/85/91/659088591.db2.gz UFMJOWFUXVQKMG-QWHCGFSZSA-N 1 3 322.409 0.573 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC000999490115 665652870 /nfs/dbraw/zinc/65/28/70/665652870.db2.gz OVGYNELPANFQSC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CS(=O)(=O)CCN1CCC(N[C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925566745 659258246 /nfs/dbraw/zinc/25/82/46/659258246.db2.gz LISAJPWVZMNCNE-UONOGXRCSA-N 1 3 315.483 0.355 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026504137 659372973 /nfs/dbraw/zinc/37/29/73/659372973.db2.gz VRSCZRFLJKSGSD-JXQTWKCFSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)CN1 ZINC000892754400 659431667 /nfs/dbraw/zinc/43/16/67/659431667.db2.gz AICTVJJWLFQYIO-MCIONIFRSA-N 1 3 310.442 0.537 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001026734830 659492567 /nfs/dbraw/zinc/49/25/67/659492567.db2.gz UQNMKKCQRSAYAE-GDBMZVCRSA-N 1 3 317.437 0.817 20 0 DCADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892944731 659539227 /nfs/dbraw/zinc/53/92/27/659539227.db2.gz UUWXSIMJNTYBFT-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892944731 659539231 /nfs/dbraw/zinc/53/92/31/659539231.db2.gz UUWXSIMJNTYBFT-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000892943621 659541142 /nfs/dbraw/zinc/54/11/42/659541142.db2.gz IZFYLTMMTRRGCB-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000892943621 659541146 /nfs/dbraw/zinc/54/11/46/659541146.db2.gz IZFYLTMMTRRGCB-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3cnns3)C2)CCC1 ZINC001026886178 659626937 /nfs/dbraw/zinc/62/69/37/659626937.db2.gz SLTAGPBQYSLOEB-GFCCVEGCSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000999849257 665691386 /nfs/dbraw/zinc/69/13/86/665691386.db2.gz GMPNDLTUZPRBDE-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000999849257 665691388 /nfs/dbraw/zinc/69/13/88/665691388.db2.gz GMPNDLTUZPRBDE-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1)N(C)C ZINC001026917256 659641392 /nfs/dbraw/zinc/64/13/92/659641392.db2.gz YKPRCEPQKIXDQU-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001020026429 659659385 /nfs/dbraw/zinc/65/93/85/659659385.db2.gz STAYCKZJRDLNGR-OBJOEFQTSA-N 1 3 306.414 0.129 20 0 DCADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001026963976 659679135 /nfs/dbraw/zinc/67/91/35/659679135.db2.gz AKOILPHWEIZRHR-GJEMEMOUSA-N 1 3 307.438 0.696 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC000999833530 665695993 /nfs/dbraw/zinc/69/59/93/665695993.db2.gz LROWSKZEXUUHKJ-YMAMQOFZSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(CCO)CC2(C)C)CC1 ZINC000977426177 659695547 /nfs/dbraw/zinc/69/55/47/659695547.db2.gz LBPMJXCCOQKTOJ-HNNXBMFYSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423064181 659723289 /nfs/dbraw/zinc/72/32/89/659723289.db2.gz QUNGBDBMXKENII-KRWDZBQOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001026043350 659758938 /nfs/dbraw/zinc/75/89/38/659758938.db2.gz LTCDPPJTAQBQJG-NBFUAULTSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001026043350 659758942 /nfs/dbraw/zinc/75/89/42/659758942.db2.gz LTCDPPJTAQBQJG-NBFUAULTSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001027063797 659761083 /nfs/dbraw/zinc/76/10/83/659761083.db2.gz SESKUNFWHAOTQJ-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027064884 659761771 /nfs/dbraw/zinc/76/17/71/659761771.db2.gz MHDBKXFPOPDZFG-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027064884 659761776 /nfs/dbraw/zinc/76/17/76/659761776.db2.gz MHDBKXFPOPDZFG-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001027066585 659764516 /nfs/dbraw/zinc/76/45/16/659764516.db2.gz UPNNDTMLIJREMT-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCn3cccn3)CC2(C)C)C1 ZINC000977593581 659774064 /nfs/dbraw/zinc/77/40/64/659774064.db2.gz BTNRPVOOAVHCKT-LSDHHAIUSA-N 1 3 319.453 0.661 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCn3cccn3)CC2(C)C)C1 ZINC000977593581 659774067 /nfs/dbraw/zinc/77/40/67/659774067.db2.gz BTNRPVOOAVHCKT-LSDHHAIUSA-N 1 3 319.453 0.661 20 0 DCADHO CC(C)N(C(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000261843779 661745996 /nfs/dbraw/zinc/74/59/96/661745996.db2.gz CTTIXCGERHTLQR-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698869 661764978 /nfs/dbraw/zinc/76/49/78/661764978.db2.gz RDWAAOACKOHVKE-GJEMEMOUSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698869 661764980 /nfs/dbraw/zinc/76/49/80/661764980.db2.gz RDWAAOACKOHVKE-GJEMEMOUSA-N 1 3 307.438 0.696 20 0 DCADHO CNC(=O)c1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)ccn1 ZINC000894496315 661975248 /nfs/dbraw/zinc/97/52/48/661975248.db2.gz NYVDTBNNQFPGIW-ZDUSSCGKSA-N 1 3 307.442 0.547 20 0 DCADHO CNC(=O)c1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccn1 ZINC000894496315 661975250 /nfs/dbraw/zinc/97/52/50/661975250.db2.gz NYVDTBNNQFPGIW-ZDUSSCGKSA-N 1 3 307.442 0.547 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)CC[N@@H+]1C ZINC000983707183 662011045 /nfs/dbraw/zinc/01/10/45/662011045.db2.gz BFKGQBDTIRQNMA-HKUMRIAESA-N 1 3 323.466 0.863 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)CC[N@H+]1C ZINC000983707183 662011046 /nfs/dbraw/zinc/01/10/46/662011046.db2.gz BFKGQBDTIRQNMA-HKUMRIAESA-N 1 3 323.466 0.863 20 0 DCADHO C[C@H]([NH2+][C@H]1CCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173879 662025909 /nfs/dbraw/zinc/02/59/09/662025909.db2.gz SJHSVISHODDKBB-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@H](F)C1 ZINC000895665647 662204788 /nfs/dbraw/zinc/20/47/88/662204788.db2.gz DUAYRYLTMQZADI-MJBXVCDLSA-N 1 3 318.437 0.373 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@H](F)C1 ZINC000895665647 662204791 /nfs/dbraw/zinc/20/47/91/662204791.db2.gz DUAYRYLTMQZADI-MJBXVCDLSA-N 1 3 318.437 0.373 20 0 DCADHO COCCN(CCN(C)C)C(=S)NCC1CC[NH+](C)CC1 ZINC000760481690 668274558 /nfs/dbraw/zinc/27/45/58/668274558.db2.gz DDHVRFTVXOAFCT-UHFFFAOYSA-N 1 3 316.515 0.713 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000985031673 662358330 /nfs/dbraw/zinc/35/83/30/662358330.db2.gz LIXJZXFLWLNMSD-DZKIICNBSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985031673 662358332 /nfs/dbraw/zinc/35/83/32/662358332.db2.gz LIXJZXFLWLNMSD-DZKIICNBSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985426157 662440207 /nfs/dbraw/zinc/44/02/07/662440207.db2.gz LZKVOXQATPBEIY-UKRRQHHQSA-N 1 3 324.469 0.656 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985426157 662440208 /nfs/dbraw/zinc/44/02/08/662440208.db2.gz LZKVOXQATPBEIY-UKRRQHHQSA-N 1 3 324.469 0.656 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985482197 662465612 /nfs/dbraw/zinc/46/56/12/662465612.db2.gz UZCNPYUXZHREHO-KGLIPLIRSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000985482197 662465613 /nfs/dbraw/zinc/46/56/13/662465613.db2.gz UZCNPYUXZHREHO-KGLIPLIRSA-N 1 3 324.469 0.657 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000985638945 662494509 /nfs/dbraw/zinc/49/45/09/662494509.db2.gz REPYBMUQBVOTTB-GXTWGEPZSA-N 1 3 312.458 0.369 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646694 662495322 /nfs/dbraw/zinc/49/53/22/662495322.db2.gz KAUMGBSFGXCGAU-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646694 662495324 /nfs/dbraw/zinc/49/53/24/662495324.db2.gz KAUMGBSFGXCGAU-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO CN(Cc1cnn(C)c1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985788266 662513046 /nfs/dbraw/zinc/51/30/46/662513046.db2.gz UBUHZLYXFYSWFT-OAHLLOKOSA-N 1 3 319.453 0.795 20 0 DCADHO CN(Cc1cnn(C)c1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985788266 662513047 /nfs/dbraw/zinc/51/30/47/662513047.db2.gz UBUHZLYXFYSWFT-OAHLLOKOSA-N 1 3 319.453 0.795 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H](C)C(N)=O)CC1 ZINC000985803689 662515099 /nfs/dbraw/zinc/51/50/99/662515099.db2.gz IJKLBYHSWZGAQX-UKRRQHHQSA-N 1 3 324.469 0.657 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC000985803689 662515100 /nfs/dbraw/zinc/51/51/00/662515100.db2.gz IJKLBYHSWZGAQX-UKRRQHHQSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H]1[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN(C)C1CCC1 ZINC000986355274 662583361 /nfs/dbraw/zinc/58/33/61/662583361.db2.gz MMCRQXDUZXGSSN-XJKSGUPXSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCn2cccn2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351596 662585225 /nfs/dbraw/zinc/58/52/25/662585225.db2.gz DBDMLVGKVHFAEX-GOEBONIOSA-N 1 3 319.453 0.946 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986832819 662623221 /nfs/dbraw/zinc/62/32/21/662623221.db2.gz YIHFUXSNDKAYIG-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064969 662640280 /nfs/dbraw/zinc/64/02/80/662640280.db2.gz HIUCCKUMYBDGCU-SWLSCSKDSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534814 662686673 /nfs/dbraw/zinc/68/66/73/662686673.db2.gz WNVFHXJXSXIEIS-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000897460790 662762220 /nfs/dbraw/zinc/76/22/20/662762220.db2.gz WQCZDFZBDJZBAX-HUUCEWRRSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000897460790 662762223 /nfs/dbraw/zinc/76/22/23/662762223.db2.gz WQCZDFZBDJZBAX-HUUCEWRRSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988963481 662874079 /nfs/dbraw/zinc/87/40/79/662874079.db2.gz XANPNUHJBYGPNJ-DZGCQCFKSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989389796 662908685 /nfs/dbraw/zinc/90/86/85/662908685.db2.gz LTMFILPYNJYWKW-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H](CN1C(=O)N[C@H](CN(C)C)C1=O)[N@H+](C)Cc1ccccc1 ZINC000924627900 663048822 /nfs/dbraw/zinc/04/88/22/663048822.db2.gz FRSDLGYTSGQYHN-DZGCQCFKSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@@H](CN1C(=O)N[C@H](CN(C)C)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000924627900 663048824 /nfs/dbraw/zinc/04/88/24/663048824.db2.gz FRSDLGYTSGQYHN-DZGCQCFKSA-N 1 3 318.421 0.989 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001000767229 665922546 /nfs/dbraw/zinc/92/25/46/665922546.db2.gz MRMOWFACZDRJQG-INIZCTEOSA-N 1 3 309.454 0.705 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001000767229 665922547 /nfs/dbraw/zinc/92/25/47/665922547.db2.gz MRMOWFACZDRJQG-INIZCTEOSA-N 1 3 309.454 0.705 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001030020123 663078989 /nfs/dbraw/zinc/07/89/89/663078989.db2.gz XRFYNUPBNDTOPN-RRFJBIMHSA-N 1 3 322.453 0.282 20 0 DCADHO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC(N2CCOCC2)CC1 ZINC000898798447 663108264 /nfs/dbraw/zinc/10/82/64/663108264.db2.gz FMIOEQUQZBJZBL-MRXNPFEDSA-N 1 3 323.437 0.030 20 0 DCADHO CN(CC(=O)N1CCN(CC[NH+]2CCCC2)CC1)C1CCC1 ZINC000900023022 663210287 /nfs/dbraw/zinc/21/02/87/663210287.db2.gz CJNNDKDNCYKZOU-UHFFFAOYSA-N 1 3 308.470 0.711 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000900216484 663226558 /nfs/dbraw/zinc/22/65/58/663226558.db2.gz NCVVVCRAXFTEGA-ZIAGYGMSSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000900216484 663226560 /nfs/dbraw/zinc/22/65/60/663226560.db2.gz NCVVVCRAXFTEGA-ZIAGYGMSSA-N 1 3 305.426 0.801 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900442778 663243816 /nfs/dbraw/zinc/24/38/16/663243816.db2.gz RJOVKIIXNJAHRP-ZJIFWQFVSA-N 1 3 307.438 0.983 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900442778 663243817 /nfs/dbraw/zinc/24/38/17/663243817.db2.gz RJOVKIIXNJAHRP-ZJIFWQFVSA-N 1 3 307.438 0.983 20 0 DCADHO C[C@@H]1CN(CCNS(=O)(=O)c2ccccc2)C[C@H]1CC[NH3+] ZINC000903496995 663458831 /nfs/dbraw/zinc/45/88/31/663458831.db2.gz MMSKUUYJKPCSAJ-ZIAGYGMSSA-N 1 3 311.451 0.882 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903892982 663493028 /nfs/dbraw/zinc/49/30/28/663493028.db2.gz ZOHPKQOFADDBJB-LBPRGKRZSA-N 1 3 306.401 0.455 20 0 DCADHO NC(=O)COc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903954217 663498203 /nfs/dbraw/zinc/49/82/03/663498203.db2.gz AOEXWEBBYGITIZ-GFCCVEGCSA-N 1 3 313.348 0.885 20 0 DCADHO COC(=O)N1CCC(N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903969219 663499392 /nfs/dbraw/zinc/49/93/92/663499392.db2.gz CWUKHTHEBPVJSY-CQSZACIVSA-N 1 3 311.426 0.966 20 0 DCADHO [NH3+]Cc1ccc(CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000904331204 663508415 /nfs/dbraw/zinc/50/84/15/663508415.db2.gz FVYFRMFKJQRABR-MRXNPFEDSA-N 1 3 302.422 0.542 20 0 DCADHO NC(=O)[C@]12CCC[C@H]1CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000904468742 663514851 /nfs/dbraw/zinc/51/48/51/663514851.db2.gz GCCYJYQJMJEEQC-XEZPLFJOSA-N 1 3 318.425 0.290 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904485065 663515389 /nfs/dbraw/zinc/51/53/89/663515389.db2.gz KMTLYLNJAMMKMK-UHFFFAOYSA-N 1 3 324.429 0.416 20 0 DCADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)C[C@@H](O)c1ccccc1 ZINC000905341740 663550923 /nfs/dbraw/zinc/55/09/23/663550923.db2.gz RJXWUUWIQWLAQH-QZTJIDSGSA-N 1 3 322.449 0.907 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC000908400743 663753848 /nfs/dbraw/zinc/75/38/48/663753848.db2.gz VZNGJHPYQHFMAT-DLBZAZTESA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC000908400743 663753849 /nfs/dbraw/zinc/75/38/49/663753849.db2.gz VZNGJHPYQHFMAT-DLBZAZTESA-N 1 3 320.481 0.709 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CCCCC1 ZINC000910945041 663960826 /nfs/dbraw/zinc/96/08/26/663960826.db2.gz AIXCLHJHRGKMHB-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911030278 663973843 /nfs/dbraw/zinc/97/38/43/663973843.db2.gz VEJQGFVACUXZAX-MCIONIFRSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CCC(C)CC1 ZINC000911090682 663980334 /nfs/dbraw/zinc/98/03/34/663980334.db2.gz JHQANTCLOSBYDI-KGLIPLIRSA-N 1 3 324.469 0.419 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000911208117 664005080 /nfs/dbraw/zinc/00/50/80/664005080.db2.gz JGLKLMCAEBXEQL-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000911324457 664028013 /nfs/dbraw/zinc/02/80/13/664028013.db2.gz CZCDFURJWULIMQ-BFHYXJOUSA-N 1 3 308.426 0.069 20 0 DCADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911325924 664028634 /nfs/dbraw/zinc/02/86/34/664028634.db2.gz XXIQAWNDLCXNOG-ZQNQSHIBSA-N 1 3 320.437 0.129 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000911532440 664069815 /nfs/dbraw/zinc/06/98/15/664069815.db2.gz LKOBREKBYQPFDW-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCC1(C)C ZINC000911534367 664070656 /nfs/dbraw/zinc/07/06/56/664070656.db2.gz MKCOLAZWKJAODP-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CCC[C@@H](C)C1 ZINC000911519041 664073908 /nfs/dbraw/zinc/07/39/08/664073908.db2.gz FACXYXPTZLTIIN-HZSPNIEDSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549795 664076649 /nfs/dbraw/zinc/07/66/49/664076649.db2.gz MKSUFQCNHSMYCC-HZSPNIEDSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564697 664082740 /nfs/dbraw/zinc/08/27/40/664082740.db2.gz VCYYBUJBODRFOC-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CN(C)CCC[N@H+](C)CCNc1nc(N)nc(Cl)c1N ZINC000912265814 664155880 /nfs/dbraw/zinc/15/58/80/664155880.db2.gz YCUPCTKCEOKLQX-UHFFFAOYSA-N 1 3 301.826 0.590 20 0 DCADHO CN(C)CCC[N@@H+](C)CCNc1nc(N)nc(Cl)c1N ZINC000912265814 664155882 /nfs/dbraw/zinc/15/58/82/664155882.db2.gz YCUPCTKCEOKLQX-UHFFFAOYSA-N 1 3 301.826 0.590 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCN(CCOC)C1 ZINC000730732834 664803957 /nfs/dbraw/zinc/80/39/57/664803957.db2.gz DUHGHOYSMTVFRC-ZIAGYGMSSA-N 1 3 314.499 0.656 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCN(CCOC)C1 ZINC000730732834 664803958 /nfs/dbraw/zinc/80/39/58/664803958.db2.gz DUHGHOYSMTVFRC-ZIAGYGMSSA-N 1 3 314.499 0.656 20 0 DCADHO C[C@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000923596485 664826844 /nfs/dbraw/zinc/82/68/44/664826844.db2.gz RKGAZHJCAPPRIG-ZIAGYGMSSA-N 1 3 303.472 0.778 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731120485 664836430 /nfs/dbraw/zinc/83/64/30/664836430.db2.gz AJKUYCZMZJWZTJ-HRCADAONSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000731120485 664836433 /nfs/dbraw/zinc/83/64/33/664836433.db2.gz AJKUYCZMZJWZTJ-HRCADAONSA-N 1 3 322.453 0.633 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[N@@H+]1C ZINC000925334451 665288631 /nfs/dbraw/zinc/28/86/31/665288631.db2.gz KIHXTOLKHDQTCT-IJEWVQPXSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[N@H+]1C ZINC000925334451 665288633 /nfs/dbraw/zinc/28/86/33/665288633.db2.gz KIHXTOLKHDQTCT-IJEWVQPXSA-N 1 3 324.469 0.974 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000998085416 665397593 /nfs/dbraw/zinc/39/75/93/665397593.db2.gz FWJSTNCSJXHZPT-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261545401 665402582 /nfs/dbraw/zinc/40/25/82/665402582.db2.gz JWCAQVAWCMGRER-HZPDHXFCSA-N 1 3 303.406 0.756 20 0 DCADHO CC[C@H](C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1)N(C)C ZINC000941454479 666003340 /nfs/dbraw/zinc/00/33/40/666003340.db2.gz GPBMNAXWHITMBO-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016249860 666022098 /nfs/dbraw/zinc/02/20/98/666022098.db2.gz JZVXKZJNAVGIIP-KGLIPLIRSA-N 1 3 305.426 0.105 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016249860 666022099 /nfs/dbraw/zinc/02/20/99/666022099.db2.gz JZVXKZJNAVGIIP-KGLIPLIRSA-N 1 3 305.426 0.105 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639658 666033207 /nfs/dbraw/zinc/03/32/07/666033207.db2.gz ULQQISMFNKPXMX-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639658 666033208 /nfs/dbraw/zinc/03/32/08/666033208.db2.gz ULQQISMFNKPXMX-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665931 666040807 /nfs/dbraw/zinc/04/08/07/666040807.db2.gz KWLVPKFBSKIQMD-HNNXBMFYSA-N 1 3 308.470 0.423 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665931 666040809 /nfs/dbraw/zinc/04/08/09/666040809.db2.gz KWLVPKFBSKIQMD-HNNXBMFYSA-N 1 3 308.470 0.423 20 0 DCADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665975 666040927 /nfs/dbraw/zinc/04/09/27/666040927.db2.gz LQVZPPHHFQMDES-CVEARBPZSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665975 666040929 /nfs/dbraw/zinc/04/09/29/666040929.db2.gz LQVZPPHHFQMDES-CVEARBPZSA-N 1 3 322.497 0.813 20 0 DCADHO O=C(NC1CC[NH+](CCCF)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001002875736 666238340 /nfs/dbraw/zinc/23/83/40/666238340.db2.gz QMVDCVDXYBDXKP-HUUCEWRRSA-N 1 3 313.417 0.790 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@H](O)C3CCCCC3)C2)C1 ZINC001032186781 666392544 /nfs/dbraw/zinc/39/25/44/666392544.db2.gz WSFVEXPFZZJUDV-IRXDYDNUSA-N 1 3 323.481 0.927 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(C[C@H](O)C3CCCCC3)C2)C1 ZINC001032186781 666392546 /nfs/dbraw/zinc/39/25/46/666392546.db2.gz WSFVEXPFZZJUDV-IRXDYDNUSA-N 1 3 323.481 0.927 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000944300862 666416101 /nfs/dbraw/zinc/41/61/01/666416101.db2.gz ZNLOBVDBKLOGNY-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000944300862 666416103 /nfs/dbraw/zinc/41/61/03/666416103.db2.gz ZNLOBVDBKLOGNY-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001032205727 666440731 /nfs/dbraw/zinc/44/07/31/666440731.db2.gz GWSHPACELQJDIC-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1[C@H](NCc2cnc(N3CCN(C)CC3)nc2)CC[N@@H+]1C ZINC000922558543 666480882 /nfs/dbraw/zinc/48/08/82/666480882.db2.gz VMAYXYAONXJOBQ-DZGCQCFKSA-N 1 3 304.442 0.411 20 0 DCADHO C[C@H]1[C@H](NCc2cnc(N3CCN(C)CC3)nc2)CC[N@H+]1C ZINC000922558543 666480884 /nfs/dbraw/zinc/48/08/84/666480884.db2.gz VMAYXYAONXJOBQ-DZGCQCFKSA-N 1 3 304.442 0.411 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995884888 666718914 /nfs/dbraw/zinc/71/89/14/666718914.db2.gz MFJDEROHDNOMEU-KBPBESRZSA-N 1 3 324.469 0.276 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995884888 666718915 /nfs/dbraw/zinc/71/89/15/666718915.db2.gz MFJDEROHDNOMEU-KBPBESRZSA-N 1 3 324.469 0.276 20 0 DCADHO CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(CCO)C1 ZINC001033505981 666728902 /nfs/dbraw/zinc/72/89/02/666728902.db2.gz VTHIZZTTYYQHNO-MRXNPFEDSA-N 1 3 305.422 0.887 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996073949 666734967 /nfs/dbraw/zinc/73/49/67/666734967.db2.gz UDXQWCXJXBDRPC-YRTQGLMCSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC000996129312 666742822 /nfs/dbraw/zinc/74/28/22/666742822.db2.gz VZPQFZDEAGJVJE-CHWSQXEVSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC[N@@H+]1C ZINC000996195931 666750089 /nfs/dbraw/zinc/75/00/89/666750089.db2.gz MWZITRVHKXDATG-AVGNSLFASA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC[N@H+]1C ZINC000996195931 666750092 /nfs/dbraw/zinc/75/00/92/666750092.db2.gz MWZITRVHKXDATG-AVGNSLFASA-N 1 3 310.442 0.029 20 0 DCADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000996354904 666775889 /nfs/dbraw/zinc/77/58/89/666775889.db2.gz IZOVLKITJCQZIT-OCCSQVGLSA-N 1 3 306.410 0.815 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996385449 666780162 /nfs/dbraw/zinc/78/01/62/666780162.db2.gz ICKNUVOTMCDCAD-OCCSQVGLSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033661632 666791705 /nfs/dbraw/zinc/79/17/05/666791705.db2.gz LXACHAHCCJEMFK-LSDHHAIUSA-N 1 3 305.426 0.368 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033661632 666791707 /nfs/dbraw/zinc/79/17/07/666791707.db2.gz LXACHAHCCJEMFK-LSDHHAIUSA-N 1 3 305.426 0.368 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC000996607300 666831507 /nfs/dbraw/zinc/83/15/07/666831507.db2.gz MEWMJCVKILCRJZ-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3ccn(C)n3)CC2)CC[N@H+]1C ZINC000996607300 666831509 /nfs/dbraw/zinc/83/15/09/666831509.db2.gz MEWMJCVKILCRJZ-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610138 666836633 /nfs/dbraw/zinc/83/66/33/666836633.db2.gz JZXWGXHLHRPYTG-OLZOCXBDSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610138 666836634 /nfs/dbraw/zinc/83/66/34/666836634.db2.gz JZXWGXHLHRPYTG-OLZOCXBDSA-N 1 3 320.441 0.391 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3cnnn3C)CC2)CCC1 ZINC000996669168 666855127 /nfs/dbraw/zinc/85/51/27/666855127.db2.gz GAGRGTDKXBFJBQ-UHFFFAOYSA-N 1 3 320.441 0.380 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000996710383 666866989 /nfs/dbraw/zinc/86/69/89/666866989.db2.gz CSCQRIMOXQTJMC-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000861644019 666953458 /nfs/dbraw/zinc/95/34/58/666953458.db2.gz SYIAOAHWFPKERW-ZBFHGGJFSA-N 1 3 318.421 0.239 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCCN(CCO)C2)cn1 ZINC001034437127 667026107 /nfs/dbraw/zinc/02/61/07/667026107.db2.gz VSZLGBJPGOCBDF-OAHLLOKOSA-N 1 3 323.441 0.021 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cncn2C)CC1)N(C)C ZINC000997011380 667074437 /nfs/dbraw/zinc/07/44/37/667074437.db2.gz YWCQKBOBGFQVAM-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CCN(CCO)CC1 ZINC001005586230 667100596 /nfs/dbraw/zinc/10/05/96/667100596.db2.gz WEUQQJNFIOHPEP-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CCN(CCO)CC1 ZINC001005586230 667100598 /nfs/dbraw/zinc/10/05/98/667100598.db2.gz WEUQQJNFIOHPEP-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001034734770 667128497 /nfs/dbraw/zinc/12/84/97/667128497.db2.gz YDPIWOXQDRKMOB-ZQDZILKHSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001034738230 667131633 /nfs/dbraw/zinc/13/16/33/667131633.db2.gz RTHNONMOKQHISI-AJNGGQMLSA-N 1 3 324.469 0.752 20 0 DCADHO COc1cc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC000997297198 667239553 /nfs/dbraw/zinc/23/95/53/667239553.db2.gz CPDWNKIEUJFCQN-GFCCVEGCSA-N 1 3 322.409 0.716 20 0 DCADHO COc1cc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000997297198 667239555 /nfs/dbraw/zinc/23/95/55/667239555.db2.gz CPDWNKIEUJFCQN-GFCCVEGCSA-N 1 3 322.409 0.716 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166810 667260238 /nfs/dbraw/zinc/26/02/38/667260238.db2.gz UHEGQRUJXQCMJH-UONOGXRCSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166810 667260240 /nfs/dbraw/zinc/26/02/40/667260240.db2.gz UHEGQRUJXQCMJH-UONOGXRCSA-N 1 3 322.453 0.269 20 0 DCADHO C[N@@H+]1CC[C@H](NC[C@]23COCCN2C(=O)COC3)CC1(C)C ZINC000865794613 667347272 /nfs/dbraw/zinc/34/72/72/667347272.db2.gz FEDDEYTYDJTFIW-XJKSGUPXSA-N 1 3 311.426 0.077 20 0 DCADHO C[N@H+]1CC[C@H](NC[C@]23COCCN2C(=O)COC3)CC1(C)C ZINC000865794613 667347274 /nfs/dbraw/zinc/34/72/74/667347274.db2.gz FEDDEYTYDJTFIW-XJKSGUPXSA-N 1 3 311.426 0.077 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035706705 667402640 /nfs/dbraw/zinc/40/26/40/667402640.db2.gz PBOPZVFKFGDBNQ-INIZCTEOSA-N 1 3 321.465 0.899 20 0 DCADHO COCC[C@H]([NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000884196388 667495659 /nfs/dbraw/zinc/49/56/59/667495659.db2.gz PPBMBNOXVRXCGE-MJBXVCDLSA-N 1 3 301.431 0.356 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507063 667550659 /nfs/dbraw/zinc/55/06/59/667550659.db2.gz NJEMTJOSKOJSKD-CQSZACIVSA-N 1 3 317.499 0.980 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884577571 667569720 /nfs/dbraw/zinc/56/97/20/667569720.db2.gz IFNRFZNNHVPKDP-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000923589995 667574276 /nfs/dbraw/zinc/57/42/76/667574276.db2.gz OKEKZQJUJZHDAQ-RDBSUJKOSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@H]1C[NH3+] ZINC000884664481 667584706 /nfs/dbraw/zinc/58/47/06/667584706.db2.gz NFUCPKZWMFVEKI-MGPQQGTHSA-N 1 3 324.469 0.276 20 0 DCADHO CN1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCC1(C)C ZINC000884751856 667604400 /nfs/dbraw/zinc/60/44/00/667604400.db2.gz PJUVSKMFAWCXTA-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CCCCCC[NH3+])C1 ZINC000884786967 667607414 /nfs/dbraw/zinc/60/74/14/667607414.db2.gz BUXWNIFKZDALHA-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(CCn2cncn2)CC1 ZINC001006399406 667734113 /nfs/dbraw/zinc/73/41/13/667734113.db2.gz JRCNLKANWSPWRP-AWEZNQCLSA-N 1 3 320.441 0.153 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(CCn2cncn2)CC1 ZINC001006399406 667734115 /nfs/dbraw/zinc/73/41/15/667734115.db2.gz JRCNLKANWSPWRP-AWEZNQCLSA-N 1 3 320.441 0.153 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000870982147 667781167 /nfs/dbraw/zinc/78/11/67/667781167.db2.gz XPDXHVWTJQEMID-SJORKVTESA-N 1 3 320.481 0.755 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000870982145 667781320 /nfs/dbraw/zinc/78/13/20/667781320.db2.gz XPDXHVWTJQEMID-IAGOWNOFSA-N 1 3 320.481 0.755 20 0 DCADHO COCCN1CC[C@H](NC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000747557211 667906846 /nfs/dbraw/zinc/90/68/46/667906846.db2.gz LRCHACQDQSOATO-ZDUSSCGKSA-N 1 3 324.429 0.287 20 0 DCADHO CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294027 668072648 /nfs/dbraw/zinc/07/26/48/668072648.db2.gz PLACGWOIDOTIBM-MELADBBJSA-N 1 3 311.426 0.028 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C12CCC[NH+](CCC1)C2 ZINC000874253570 668162567 /nfs/dbraw/zinc/16/25/67/668162567.db2.gz SBQGICMJWKBKBQ-CABCVRRESA-N 1 3 307.438 0.842 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(Cc2cccc(C[NH+](C)C)c2)C1=O ZINC000924481787 668210714 /nfs/dbraw/zinc/21/07/14/668210714.db2.gz BOEPBBBJZCQRIT-AWEZNQCLSA-N 1 3 304.394 0.730 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[N@H+](C)C1CC1 ZINC000875170370 668271364 /nfs/dbraw/zinc/27/13/64/668271364.db2.gz ISIYZNWMQVDPPV-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[N@@H+](C)C1CC1 ZINC000875170370 668271365 /nfs/dbraw/zinc/27/13/65/668271365.db2.gz ISIYZNWMQVDPPV-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CC1(C)C[C@@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]([NH3+])C1 ZINC000925602920 668334147 /nfs/dbraw/zinc/33/41/47/668334147.db2.gz XZOOMVUIYQNUEO-UPJWGTAASA-N 1 3 303.472 0.906 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000925722861 668342739 /nfs/dbraw/zinc/34/27/39/668342739.db2.gz OAKSHJQIDMPMRT-WBMJQRKESA-N 1 3 300.410 0.956 20 0 DCADHO O=C1NCCN1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925776698 668347895 /nfs/dbraw/zinc/34/78/95/668347895.db2.gz HXUYNTUDYOMTTD-PBHICJAKSA-N 1 3 316.405 0.857 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875728591 668367571 /nfs/dbraw/zinc/36/75/71/668367571.db2.gz XICMZOXUQHUCHY-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926388256 668402926 /nfs/dbraw/zinc/40/29/26/668402926.db2.gz CSAWFUXOWJQXGH-AWEZNQCLSA-N 1 3 310.442 0.128 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876513588 668459635 /nfs/dbraw/zinc/45/96/35/668459635.db2.gz GDOCELXUMSADRW-CVEARBPZSA-N 1 3 304.438 0.643 20 0 DCADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927635527 668488724 /nfs/dbraw/zinc/48/87/24/668488724.db2.gz HCVOQKNZEVTINH-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927635527 668488731 /nfs/dbraw/zinc/48/87/31/668488731.db2.gz HCVOQKNZEVTINH-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)[C@@H](N)C[NH+](C)C)cc2)CC1 ZINC000876779728 668509543 /nfs/dbraw/zinc/50/95/43/668509543.db2.gz LLHAFCKUPMMLPY-INIZCTEOSA-N 1 3 319.453 0.656 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000876863343 668522566 /nfs/dbraw/zinc/52/25/66/668522566.db2.gz BGCNQWHLIVZMJN-OLZOCXBDSA-N 1 3 313.348 0.678 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876875785 668525180 /nfs/dbraw/zinc/52/51/80/668525180.db2.gz APUORVIOFWRRNR-HZSPNIEDSA-N 1 3 301.406 0.503 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876876114 668525388 /nfs/dbraw/zinc/52/53/88/668525388.db2.gz KHYWXLLBLCNUTA-WOPDTQHZSA-N 1 3 305.369 0.396 20 0 DCADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000876973558 668546055 /nfs/dbraw/zinc/54/60/55/668546055.db2.gz KBCYMAZDHNRFND-WCQMXNECSA-N 1 3 307.438 0.912 20 0 DCADHO COCCNCC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000877132578 668565394 /nfs/dbraw/zinc/56/53/94/668565394.db2.gz HUQGLMXPCLIJDN-UHFFFAOYSA-N 1 3 301.431 0.039 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)C[NH2+]C3CC3)c2)nn1 ZINC000877206841 668576009 /nfs/dbraw/zinc/57/60/09/668576009.db2.gz MZEFUXWANAKABN-UHFFFAOYSA-N 1 3 300.366 0.094 20 0 DCADHO COCCNCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000877235395 668580235 /nfs/dbraw/zinc/58/02/35/668580235.db2.gz FOXKGQALANNRAW-LSDHHAIUSA-N 1 3 307.394 0.184 20 0 DCADHO COc1ccc([C@@H]2CN(C(=O)C[C@H]3CNCCO3)C[C@H]2[NH3+])cc1 ZINC000877236067 668580255 /nfs/dbraw/zinc/58/02/55/668580255.db2.gz VQZOMQJMCFNIMC-HRCADAONSA-N 1 3 319.405 0.327 20 0 DCADHO [NH3+]C[C@]1(C(=O)NC[C@H]2Cc3ccccc3CN2)CCCOC1 ZINC000877339268 668604620 /nfs/dbraw/zinc/60/46/20/668604620.db2.gz WPMAVJNDOQRWPE-NVXWUHKLSA-N 1 3 303.406 0.573 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877403019 668616606 /nfs/dbraw/zinc/61/66/06/668616606.db2.gz LDYYLRVBPDUGPS-CHWSQXEVSA-N 1 3 311.426 0.696 20 0 DCADHO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923664943 668665569 /nfs/dbraw/zinc/66/55/69/668665569.db2.gz FUYAFJFZXXZGEX-UHFFFAOYSA-N 1 3 301.456 0.628 20 0 DCADHO O=S(=O)(NCCCCCC1CC[NH2+]CC1)N1CCNCC1 ZINC000923678136 668758064 /nfs/dbraw/zinc/75/80/64/668758064.db2.gz SHXGBUJKOMBQER-UHFFFAOYSA-N 1 3 318.487 0.286 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000774433264 668833252 /nfs/dbraw/zinc/83/32/52/668833252.db2.gz ULZFSYDKRFRBRH-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[N@@H+]1CCN(Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1CO ZINC000931401146 669192912 /nfs/dbraw/zinc/19/29/12/669192912.db2.gz QUPPOIPEPHKIIJ-GOSISDBHSA-N 1 3 319.449 0.627 20 0 DCADHO C[N@H+]1CCN(Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1CO ZINC000931401146 669192915 /nfs/dbraw/zinc/19/29/15/669192915.db2.gz QUPPOIPEPHKIIJ-GOSISDBHSA-N 1 3 319.449 0.627 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845666 669541707 /nfs/dbraw/zinc/54/17/07/669541707.db2.gz AELYFYJCNNAZDO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883657568 669727683 /nfs/dbraw/zinc/72/76/83/669727683.db2.gz GDERHIGSRJXKRY-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883658176 669727740 /nfs/dbraw/zinc/72/77/40/669727740.db2.gz UULCTOIXGZIMDS-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO O[C@@H](CN1CCC[C@@H](CN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000800478294 670092556 /nfs/dbraw/zinc/09/25/56/670092556.db2.gz CMZLWNZPNYNEGM-DLBZAZTESA-N 1 3 311.470 0.487 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950822165 670133406 /nfs/dbraw/zinc/13/34/06/670133406.db2.gz YULMHGWUUMFRIG-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCO)C2)C1 ZINC001036820668 670205455 /nfs/dbraw/zinc/20/54/55/670205455.db2.gz MVFSRIYYMHLLJP-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)C1 ZINC001036820668 670205457 /nfs/dbraw/zinc/20/54/57/670205457.db2.gz MVFSRIYYMHLLJP-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000847408971 670549007 /nfs/dbraw/zinc/54/90/07/670549007.db2.gz OTMDLYNUYFAPPU-UONOGXRCSA-N 1 3 321.425 0.038 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CC1 ZINC000849022611 670750246 /nfs/dbraw/zinc/75/02/46/670750246.db2.gz MVGDGLKRDUTLEP-AWEZNQCLSA-N 1 3 309.458 0.449 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000849037701 670753718 /nfs/dbraw/zinc/75/37/18/670753718.db2.gz YMLIXUMIDIWNBW-SOUVJXGZSA-N 1 3 309.458 0.448 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc2ncccn2n1 ZINC000849042735 670754653 /nfs/dbraw/zinc/75/46/53/670754653.db2.gz YZWQRIYRNIHUDK-LLVKDONJSA-N 1 3 302.386 0.223 20 0 DCADHO CCCN1C[C@H](CNC(=[NH2+])NC[C@H]2CCCN2CC)CC1=O ZINC000849044169 670754736 /nfs/dbraw/zinc/75/47/36/670754736.db2.gz XHWHPOVOECQBHF-UONOGXRCSA-N 1 3 309.458 0.843 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849497876 670811325 /nfs/dbraw/zinc/81/13/25/670811325.db2.gz PHEAUHFMVMIHRY-YUELXQCFSA-N 1 3 307.442 0.522 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC[NH2+]C(C)(C)C)cn1 ZINC000849612359 670826647 /nfs/dbraw/zinc/82/66/47/670826647.db2.gz KKVABUSMWXEOKS-CABCVRRESA-N 1 3 321.469 0.960 20 0 DCADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@H](C[NH3+])C1 ZINC000851657034 671005736 /nfs/dbraw/zinc/00/57/36/671005736.db2.gz TZVCPJIOFBHRJI-CBBWQLFWSA-N 1 3 310.442 0.618 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1)C2 ZINC000852040324 671076295 /nfs/dbraw/zinc/07/62/95/671076295.db2.gz JWPFPOLSZRQCGB-ONYGOOLBSA-N 1 3 317.433 0.917 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1)C2 ZINC000852040324 671076300 /nfs/dbraw/zinc/07/63/00/671076300.db2.gz JWPFPOLSZRQCGB-ONYGOOLBSA-N 1 3 317.433 0.917 20 0 DCADHO C[C@H]1CCCN1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000852824138 671168104 /nfs/dbraw/zinc/16/81/04/671168104.db2.gz QHOOGNTZJKTRML-LBPRGKRZSA-N 1 3 306.414 0.417 20 0 DCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853098052 671208363 /nfs/dbraw/zinc/20/83/63/671208363.db2.gz KLDYLVVCZOJGRV-DZGCQCFKSA-N 1 3 306.410 0.292 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000827319527 671522289 /nfs/dbraw/zinc/52/22/89/671522289.db2.gz DPGYOIPRLPBJLH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000827319527 671522291 /nfs/dbraw/zinc/52/22/91/671522291.db2.gz DPGYOIPRLPBJLH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO [NH3+]C[C@H](C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000827936286 671539959 /nfs/dbraw/zinc/53/99/59/671539959.db2.gz IMOHRPONRAOFNS-PMPSAXMXSA-N 1 3 321.396 0.847 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841846554 671959400 /nfs/dbraw/zinc/95/94/00/671959400.db2.gz PQCPUKCFMFXSPI-TZMCWYRMSA-N 1 3 307.394 0.580 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841846546 671959738 /nfs/dbraw/zinc/95/97/38/671959738.db2.gz PQCPUKCFMFXSPI-GXTWGEPZSA-N 1 3 307.394 0.580 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CCO1 ZINC000841997603 671971699 /nfs/dbraw/zinc/97/16/99/671971699.db2.gz ODPTVDYMXDRQGX-RCBQFDQVSA-N 1 3 318.421 0.631 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CCCCC1 ZINC000842015413 671973881 /nfs/dbraw/zinc/97/38/81/671973881.db2.gz LAZBFYQCHFEIQH-DZGCQCFKSA-N 1 3 324.469 0.611 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015995 671974704 /nfs/dbraw/zinc/97/47/04/671974704.db2.gz QBNLZRPZNPDISH-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000842015842 671974708 /nfs/dbraw/zinc/97/47/08/671974708.db2.gz OPHWLTRLSHKUNB-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000842260036 672001115 /nfs/dbraw/zinc/00/11/15/672001115.db2.gz SBRMQGDTBUAYJY-ZFWWWQNUSA-N 1 3 318.421 0.183 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000843052483 672056389 /nfs/dbraw/zinc/05/63/89/672056389.db2.gz MKGLLOZQINZROH-UHFFFAOYSA-N 1 3 316.449 0.933 20 0 DCADHO CN(C)CC[N@H+](C)CCCN(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844329537 672174725 /nfs/dbraw/zinc/17/47/25/672174725.db2.gz HGAVDJSBMCLVLP-OAHLLOKOSA-N 1 3 312.458 0.785 20 0 DCADHO CN(C)CC[N@@H+](C)CCCN(C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844329537 672174728 /nfs/dbraw/zinc/17/47/28/672174728.db2.gz HGAVDJSBMCLVLP-OAHLLOKOSA-N 1 3 312.458 0.785 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC1CCN(CCOC)CC1 ZINC000891439253 685419076 /nfs/dbraw/zinc/41/90/76/685419076.db2.gz GPVQRHFYFIJRFI-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000954405791 686009971 /nfs/dbraw/zinc/00/99/71/686009971.db2.gz GAHLXAANWWKYLL-YUELXQCFSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000954405791 686009979 /nfs/dbraw/zinc/00/99/79/686009979.db2.gz GAHLXAANWWKYLL-YUELXQCFSA-N 1 3 324.469 0.336 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954840360 686157950 /nfs/dbraw/zinc/15/79/50/686157950.db2.gz NSPLMGTZFYEBLP-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954840360 686157952 /nfs/dbraw/zinc/15/79/52/686157952.db2.gz NSPLMGTZFYEBLP-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954840359 686158025 /nfs/dbraw/zinc/15/80/25/686158025.db2.gz NSPLMGTZFYEBLP-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954840359 686158028 /nfs/dbraw/zinc/15/80/28/686158028.db2.gz NSPLMGTZFYEBLP-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000956256789 686664809 /nfs/dbraw/zinc/66/48/09/686664809.db2.gz SJKRETJXHMNQLK-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000956256789 686664811 /nfs/dbraw/zinc/66/48/11/686664811.db2.gz SJKRETJXHMNQLK-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO O=C(NC[C@H]1CCN1CC1CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534524 694108907 /nfs/dbraw/zinc/10/89/07/694108907.db2.gz HYFRRFWMWCKAJQ-DGNOSDGRSA-N 1 3 305.422 0.450 20 0 DCADHO O=C(NC[C@H]1CCN1CC1CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534524 694108908 /nfs/dbraw/zinc/10/89/08/694108908.db2.gz HYFRRFWMWCKAJQ-DGNOSDGRSA-N 1 3 305.422 0.450 20 0 DCADHO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959876810 688247508 /nfs/dbraw/zinc/24/75/08/688247508.db2.gz RHWSYBXLILXHAL-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959876810 688247511 /nfs/dbraw/zinc/24/75/11/688247511.db2.gz RHWSYBXLILXHAL-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC000959916298 688260042 /nfs/dbraw/zinc/26/00/42/688260042.db2.gz ZJXUWKMMHJEHMT-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961947810 688774920 /nfs/dbraw/zinc/77/49/20/688774920.db2.gz SLMBCTIKFWPPTQ-XUWVNRHRSA-N 1 3 309.454 0.942 20 0 DCADHO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961947810 688774922 /nfs/dbraw/zinc/77/49/22/688774922.db2.gz SLMBCTIKFWPPTQ-XUWVNRHRSA-N 1 3 309.454 0.942 20 0 DCADHO O=C(NC[C@H]1CCN1C[C@@H]1CCCOC1)C12CC[NH+](CC1)C2 ZINC001038924623 694242250 /nfs/dbraw/zinc/24/22/50/694242250.db2.gz DMUIQLJQHKTXLI-LSDHHAIUSA-N 1 3 307.438 0.699 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962537642 688935555 /nfs/dbraw/zinc/93/55/55/688935555.db2.gz ZDVUBHGEXPXPSC-PNESKVBLSA-N 1 3 323.466 0.864 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962537642 688935560 /nfs/dbraw/zinc/93/55/60/688935560.db2.gz ZDVUBHGEXPXPSC-PNESKVBLSA-N 1 3 323.466 0.864 20 0 DCADHO Cc1nccnc1CNCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000962699847 688968375 /nfs/dbraw/zinc/96/83/75/688968375.db2.gz BAZCKFYBJWIBCP-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CNCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000962699847 688968379 /nfs/dbraw/zinc/96/83/79/688968379.db2.gz BAZCKFYBJWIBCP-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO CCN1CC[C@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968409676 690255132 /nfs/dbraw/zinc/25/51/32/690255132.db2.gz OJWGOHQNYVLRKJ-DZGCQCFKSA-N 1 3 307.442 0.905 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001039407244 694358825 /nfs/dbraw/zinc/35/88/25/694358825.db2.gz GJRPJKCFVVVRMU-PLQZLIEUSA-N 1 3 319.449 0.935 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001039407244 694358831 /nfs/dbraw/zinc/35/88/31/694358831.db2.gz GJRPJKCFVVVRMU-PLQZLIEUSA-N 1 3 319.449 0.935 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC000968673140 690362955 /nfs/dbraw/zinc/36/29/55/690362955.db2.gz QWUBNCHOJWCJOT-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO Cc1nnsc1CN[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000968877643 690412304 /nfs/dbraw/zinc/41/23/04/690412304.db2.gz XBGMPVKTZJKLOU-GFCCVEGCSA-N 1 3 320.422 0.893 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCOCC2)C1)C1CC1 ZINC000968912534 690422255 /nfs/dbraw/zinc/42/22/55/690422255.db2.gz JTYODEBKQHPHNG-CVEARBPZSA-N 1 3 309.454 0.944 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000968912364 690422291 /nfs/dbraw/zinc/42/22/91/690422291.db2.gz FWPOJEGSRIFLHI-HUUCEWRRSA-N 1 3 305.426 0.451 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000968922108 690425084 /nfs/dbraw/zinc/42/50/84/690425084.db2.gz QKZSQJRAFWSNAK-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)C1CCC1 ZINC000968921839 690425278 /nfs/dbraw/zinc/42/52/78/690425278.db2.gz KYJRWGYYWOMDBX-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001011321575 691509750 /nfs/dbraw/zinc/50/97/50/691509750.db2.gz PTLAUMIGBXBOPJ-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)N(C)C ZINC001011322852 691510395 /nfs/dbraw/zinc/51/03/95/691510395.db2.gz XDVAKUKGPAABGZ-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)N(C)C ZINC001011322852 691510399 /nfs/dbraw/zinc/51/03/99/691510399.db2.gz XDVAKUKGPAABGZ-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001018938319 693289333 /nfs/dbraw/zinc/28/93/33/693289333.db2.gz IVFJKGQBHSXRRW-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001018938319 693289335 /nfs/dbraw/zinc/28/93/35/693289335.db2.gz IVFJKGQBHSXRRW-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001019033282 693330128 /nfs/dbraw/zinc/33/01/28/693330128.db2.gz HKUZBRYYMUWHKJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001019043602 693334834 /nfs/dbraw/zinc/33/48/34/693334834.db2.gz AQBFNZRDASUFKD-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n[nH]1 ZINC001019289998 693422406 /nfs/dbraw/zinc/42/24/06/693422406.db2.gz MPKWNOPXRAUPMF-UBHSHLNASA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n[nH]1 ZINC001019289998 693422409 /nfs/dbraw/zinc/42/24/09/693422409.db2.gz MPKWNOPXRAUPMF-UBHSHLNASA-N 1 3 320.441 0.534 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001019337662 693437850 /nfs/dbraw/zinc/43/78/50/693437850.db2.gz UVPGTIHFKYQBKL-JKSUJKDBSA-N 1 3 321.469 0.739 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812588 693593279 /nfs/dbraw/zinc/59/32/79/693593279.db2.gz WQKXNHHQINZYQN-HNNXBMFYSA-N 1 3 319.453 0.987 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020143763 693713438 /nfs/dbraw/zinc/71/34/38/693713438.db2.gz DIAWGPMUXUHWPJ-RBSFLKMASA-N 1 3 320.441 0.388 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072676638 694651100 /nfs/dbraw/zinc/65/11/00/694651100.db2.gz DUTAENBHQJAEAA-RISCZKNCSA-N 1 3 321.425 0.175 20 0 DCADHO CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073709653 694770642 /nfs/dbraw/zinc/77/06/42/694770642.db2.gz CGVGBFZTYXKWSC-GYMHETDLSA-N 1 3 323.437 0.077 20 0 DCADHO CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073709653 694770643 /nfs/dbraw/zinc/77/06/43/694770643.db2.gz CGVGBFZTYXKWSC-GYMHETDLSA-N 1 3 323.437 0.077 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C)N(C)C ZINC001074709553 694918385 /nfs/dbraw/zinc/91/83/85/694918385.db2.gz HLLGYLBZQQXLPZ-XDQVBPFNSA-N 1 3 310.442 0.136 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832380 694925843 /nfs/dbraw/zinc/92/58/43/694925843.db2.gz JDLQGUPUKJYJOD-YYFQZIEXSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832380 694925844 /nfs/dbraw/zinc/92/58/44/694925844.db2.gz JDLQGUPUKJYJOD-YYFQZIEXSA-N 1 3 322.453 0.184 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@@H]1C)N(C)C ZINC001074888437 694928739 /nfs/dbraw/zinc/92/87/39/694928739.db2.gz BIWUPTZIWZZZRY-QEJZJMRPSA-N 1 3 307.442 0.839 20 0 DCADHO CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2 ZINC001075438260 694951492 /nfs/dbraw/zinc/95/14/92/694951492.db2.gz UOQQYZPQNGGAOM-ZDUSSCGKSA-N 1 3 306.410 0.817 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(O)(C[NH2+]CCCF)CC2)C1 ZINC001570420698 1162510522 /nfs/dbraw/zinc/51/05/22/1162510522.db2.gz NDCJHIAKUGIHML-CQSZACIVSA-N 1 3 315.433 0.631 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)n[nH]1 ZINC001571465862 1162770401 /nfs/dbraw/zinc/77/04/01/1162770401.db2.gz MGJTUKDBBJTAAA-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO C([C@H]1CCOC1)N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001772534908 1157524433 /nfs/dbraw/zinc/52/44/33/1157524433.db2.gz LJNFIJOSNCRTBS-ZACQAIPSSA-N 1 3 309.454 0.409 20 0 DCADHO CN(CC[NH2+]CCCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001691277813 1157627815 /nfs/dbraw/zinc/62/78/15/1157627815.db2.gz JSTUZLVEZQBXOT-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001691476703 1157789748 /nfs/dbraw/zinc/78/97/48/1157789748.db2.gz PBTFZCBOVZZMTO-UONOGXRCSA-N 1 3 320.441 0.155 20 0 DCADHO CN(C(=O)C[C@H](O)C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC001648969968 1158198372 /nfs/dbraw/zinc/19/83/72/1158198372.db2.gz UXIPCTYAPAYKFM-INIZCTEOSA-N 1 3 320.437 0.257 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691556236 1158338239 /nfs/dbraw/zinc/33/82/39/1158338239.db2.gz RGKPFVHATRQYRL-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691556236 1158338247 /nfs/dbraw/zinc/33/82/47/1158338247.db2.gz RGKPFVHATRQYRL-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCc1cnn(C)c1 ZINC001691619123 1158359552 /nfs/dbraw/zinc/35/95/52/1158359552.db2.gz CMTWPIPSIPGMCX-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCC(=O)N(C)C ZINC001483098024 1158374041 /nfs/dbraw/zinc/37/40/41/1158374041.db2.gz ONWFYJWTSKMITB-LMVHVUTASA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCC(=O)N(C)C ZINC001483098024 1158374048 /nfs/dbraw/zinc/37/40/48/1158374048.db2.gz ONWFYJWTSKMITB-LMVHVUTASA-N 1 3 310.442 0.211 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001483097746 1158375852 /nfs/dbraw/zinc/37/58/52/1158375852.db2.gz MGUWLYVXWARVGS-XYBNCVKDSA-N 1 3 322.453 0.403 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001649084764 1158634793 /nfs/dbraw/zinc/63/47/93/1158634793.db2.gz HBGDFOFZXKOTAD-KBPBESRZSA-N 1 3 323.437 0.661 20 0 DCADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)C1(C2CC[NH2+]CC2)CC1 ZINC001649157338 1158835294 /nfs/dbraw/zinc/83/52/94/1158835294.db2.gz NFMJFEQTVBZXIY-HZPDHXFCSA-N 1 3 321.465 0.824 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000339757389 1158856243 /nfs/dbraw/zinc/85/62/43/1158856243.db2.gz RJAJSXGYEFWZGJ-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNC/C=C\Cl)C2)C1 ZINC001202058311 1158916983 /nfs/dbraw/zinc/91/69/83/1158916983.db2.gz KEYJSOLVWNKIJL-MPILUDMGSA-N 1 3 315.845 0.898 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNC/C=C\Cl)C2)C1 ZINC001202058311 1158916990 /nfs/dbraw/zinc/91/69/90/1158916990.db2.gz KEYJSOLVWNKIJL-MPILUDMGSA-N 1 3 315.845 0.898 20 0 DCADHO C[C@@H](O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCOCC1 ZINC001446707869 1159507947 /nfs/dbraw/zinc/50/79/47/1159507947.db2.gz ASZSICJYQIXEQU-CYBMUJFWSA-N 1 3 313.442 0.107 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001447207944 1159601034 /nfs/dbraw/zinc/60/10/34/1159601034.db2.gz DWAMVOZLOORUOP-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001447207944 1159601036 /nfs/dbraw/zinc/60/10/36/1159601036.db2.gz DWAMVOZLOORUOP-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001447207943 1159601286 /nfs/dbraw/zinc/60/12/86/1159601286.db2.gz DWAMVOZLOORUOP-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001447207943 1159601289 /nfs/dbraw/zinc/60/12/89/1159601289.db2.gz DWAMVOZLOORUOP-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NC)[C@H]2C1 ZINC001449058326 1159738301 /nfs/dbraw/zinc/73/83/01/1159738301.db2.gz ZDZGFYTZPZNCKV-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001567560848 1160420600 /nfs/dbraw/zinc/42/06/00/1160420600.db2.gz SKHFEDQKKCULDZ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001567560848 1160420602 /nfs/dbraw/zinc/42/06/02/1160420602.db2.gz SKHFEDQKKCULDZ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCNCC(=O)N1CCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001567611649 1160440727 /nfs/dbraw/zinc/44/07/27/1160440727.db2.gz PNGQWXAHQSWZKY-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001568379880 1160638071 /nfs/dbraw/zinc/63/80/71/1160638071.db2.gz YPRREZBVIRPVKP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC ZINC001568398109 1160641315 /nfs/dbraw/zinc/64/13/15/1160641315.db2.gz ODYGRELLWJKUFE-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568743951 1160758381 /nfs/dbraw/zinc/75/83/81/1160758381.db2.gz VSYOTWURPUEMIH-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568743951 1160758384 /nfs/dbraw/zinc/75/83/84/1160758384.db2.gz VSYOTWURPUEMIH-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)Cc1c[nH]cn1 ZINC001568778551 1160770161 /nfs/dbraw/zinc/77/01/61/1160770161.db2.gz DHYCWSAIYHIOJJ-ZDUSSCGKSA-N 1 3 321.425 0.307 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCN1CCCC1=O ZINC001568826356 1160791177 /nfs/dbraw/zinc/79/11/77/1160791177.db2.gz AKYWNIIGPMEOCF-MPNWYJEXSA-N 1 3 322.453 0.355 20 0 DCADHO COCC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCOCC1 ZINC001569729943 1161209875 /nfs/dbraw/zinc/20/98/75/1161209875.db2.gz MSDHEYMYCNYCCP-UHFFFAOYSA-N 1 3 313.442 0.372 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC001575141201 1163914249 /nfs/dbraw/zinc/91/42/49/1163914249.db2.gz VVEKYXNPKKZFDX-CYBMUJFWSA-N 1 3 309.458 0.158 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001575917927 1164183886 /nfs/dbraw/zinc/18/38/86/1164183886.db2.gz GRZXJRRQSYYKHN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001575917927 1164183890 /nfs/dbraw/zinc/18/38/90/1164183890.db2.gz GRZXJRRQSYYKHN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC001575962076 1164194384 /nfs/dbraw/zinc/19/43/84/1164194384.db2.gz KXCKGFRGOKZHPT-NWDGAFQWSA-N 1 3 321.416 0.294 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC001575961152 1164194796 /nfs/dbraw/zinc/19/47/96/1164194796.db2.gz BVTDAWDDSDJJLB-CABCVRRESA-N 1 3 310.486 0.907 20 0 DCADHO C[C@@H](CNC(=O)N1CC[C@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC001576016879 1164212073 /nfs/dbraw/zinc/21/20/73/1164212073.db2.gz GNLMGFGXQYRYRD-GJZGRUSLSA-N 1 3 311.474 0.250 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCc1c[nH]nn1 ZINC001576106750 1164242492 /nfs/dbraw/zinc/24/24/92/1164242492.db2.gz FOQQXIHZLQELQL-OCCSQVGLSA-N 1 3 308.430 0.473 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001576607552 1164409518 /nfs/dbraw/zinc/40/95/18/1164409518.db2.gz YXTXTHAUFZWRSD-NFAWXSAZSA-N 1 3 310.442 0.761 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C[NH2+]1 ZINC001576656332 1164423698 /nfs/dbraw/zinc/42/36/98/1164423698.db2.gz GXBYDXSTLCTYQT-SYAUCNOPSA-N 1 3 319.453 0.712 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[C@](C)(O)C2CC2)CC2(CC[NH2+]CC2)O1 ZINC001576799942 1164468465 /nfs/dbraw/zinc/46/84/65/1164468465.db2.gz DUNKHNCUIYTBMH-KBMXLJTQSA-N 1 3 312.454 0.741 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCc2cn[nH]n2)C2CC2)C1 ZINC001576883782 1164516759 /nfs/dbraw/zinc/51/67/59/1164516759.db2.gz PUXLFDXZRRASDU-CYBMUJFWSA-N 1 3 320.441 0.270 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCN(CCc2cn[nH]n2)C2CC2)C1 ZINC001576883782 1164516763 /nfs/dbraw/zinc/51/67/63/1164516763.db2.gz PUXLFDXZRRASDU-CYBMUJFWSA-N 1 3 320.441 0.270 20 0 DCADHO CC[C@H](NC[C@H](C[NH3+])Cc1cnn(C)c1C)[C@@H](O)C(F)F ZINC001577175839 1164620473 /nfs/dbraw/zinc/62/04/73/1164620473.db2.gz JPSAHSBMGNCTOG-WCFLWFBJSA-N 1 3 304.385 0.840 20 0 DCADHO CCC[N@H+](CCc1cn(CC(=O)OC)nn1)C1CCNCC1 ZINC001577524039 1164713392 /nfs/dbraw/zinc/71/33/92/1164713392.db2.gz RJLWYBGTENHTGL-UHFFFAOYSA-N 1 3 309.414 0.458 20 0 DCADHO CCC[N@@H+](CCc1cn(CC(=O)OC)nn1)C1CCNCC1 ZINC001577524039 1164713398 /nfs/dbraw/zinc/71/33/98/1164713398.db2.gz RJLWYBGTENHTGL-UHFFFAOYSA-N 1 3 309.414 0.458 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001577778352 1164790813 /nfs/dbraw/zinc/79/08/13/1164790813.db2.gz VGROLUPJZDRZDN-OWCLPIDISA-N 1 3 323.485 0.263 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)CC3(O)C[NH2+]C3)cc2)CC1 ZINC001577778448 1164791813 /nfs/dbraw/zinc/79/18/13/1164791813.db2.gz ZUUWFCKUENDRHC-UHFFFAOYSA-N 1 3 318.421 0.491 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC001578471725 1165028004 /nfs/dbraw/zinc/02/80/04/1165028004.db2.gz JKHQFZRCYCBBGP-SNVBAGLBSA-N 1 3 319.318 0.772 20 0 DCADHO CN(CCO)CCN(C)C(=O)c1ncoc1C1CC[NH2+]CC1 ZINC001578473230 1165029094 /nfs/dbraw/zinc/02/90/94/1165029094.db2.gz LADXJWDQSNPTQL-UHFFFAOYSA-N 1 3 310.398 0.138 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccnc([C@H]3CCCN3)n2)C1 ZINC001578525978 1165043875 /nfs/dbraw/zinc/04/38/75/1165043875.db2.gz VVFUWQPCAUFBGS-IAQYHMDHSA-N 1 3 320.397 0.089 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccnc([C@H]3CCCN3)n2)C1 ZINC001578525978 1165043883 /nfs/dbraw/zinc/04/38/83/1165043883.db2.gz VVFUWQPCAUFBGS-IAQYHMDHSA-N 1 3 320.397 0.089 20 0 DCADHO CNS(=O)(=O)c1ccc(CCNC[C@H]([NH3+])CC(F)F)cc1 ZINC001578746302 1165092966 /nfs/dbraw/zinc/09/29/66/1165092966.db2.gz GLRYQZJAOUGINA-LLVKDONJSA-N 1 3 321.393 0.709 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[NH2+]CCN1C ZINC001579212330 1165239442 /nfs/dbraw/zinc/23/94/42/1165239442.db2.gz RLROMXGCNVJOMS-CQSZACIVSA-N 1 3 306.410 0.599 20 0 DCADHO [NH3+]C[C@H](O)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001580228328 1165540992 /nfs/dbraw/zinc/54/09/92/1165540992.db2.gz BBDZAAOMGHOSOW-GFCCVEGCSA-N 1 3 301.456 0.174 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CC(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC001580384675 1165590477 /nfs/dbraw/zinc/59/04/77/1165590477.db2.gz RTVLBSNKCLXJSQ-UONOGXRCSA-N 1 3 310.442 0.222 20 0 DCADHO O=C(NC1(CCO)C[NH2+]C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001580595543 1165648559 /nfs/dbraw/zinc/64/85/59/1165648559.db2.gz LDMIRMZSBDUSPT-OAHLLOKOSA-N 1 3 318.421 0.134 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001583567571 1166270839 /nfs/dbraw/zinc/27/08/39/1166270839.db2.gz KZGCATITVQDLAK-WJNHHXLDSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001583567571 1166270842 /nfs/dbraw/zinc/27/08/42/1166270842.db2.gz KZGCATITVQDLAK-WJNHHXLDSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001583567568 1166270937 /nfs/dbraw/zinc/27/09/37/1166270937.db2.gz KZGCATITVQDLAK-BEWKBBBFSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001583567568 1166270945 /nfs/dbraw/zinc/27/09/45/1166270945.db2.gz KZGCATITVQDLAK-BEWKBBBFSA-N 1 3 324.469 0.457 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000048712846 1171668720 /nfs/dbraw/zinc/66/87/20/1171668720.db2.gz FYWISYHLNGWSSX-CQSZACIVSA-N 1 3 304.438 0.901 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1=O ZINC001645583538 1172064457 /nfs/dbraw/zinc/06/44/57/1172064457.db2.gz JNBAWOUBSTTWIP-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO O[C@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)C[C@@]1(O)CCOC1 ZINC001646522618 1172413104 /nfs/dbraw/zinc/41/31/04/1172413104.db2.gz REXSTPMSLBQMBU-ULQDDVLXSA-N 1 3 312.454 0.600 20 0 DCADHO O[C@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)C[C@@]1(O)CCOC1 ZINC001646522618 1172413108 /nfs/dbraw/zinc/41/31/08/1172413108.db2.gz REXSTPMSLBQMBU-ULQDDVLXSA-N 1 3 312.454 0.600 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001646779042 1172527454 /nfs/dbraw/zinc/52/74/54/1172527454.db2.gz RSIAHIPADMDZJN-CQSZACIVSA-N 1 3 306.391 0.003 20 0 DCADHO CC1(C)CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC001647577442 1172979323 /nfs/dbraw/zinc/97/93/23/1172979323.db2.gz XFXPEGGLINPJQW-UONOGXRCSA-N 1 3 310.442 0.618 20 0 DCADHO CN1CCNC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001650369330 1173597113 /nfs/dbraw/zinc/59/71/13/1173597113.db2.gz WBWNBYZHDNKKTP-OAGGEKHMSA-N 1 3 302.422 0.152 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001650388336 1173610991 /nfs/dbraw/zinc/61/09/91/1173610991.db2.gz BGWLJVDOXAYIGD-GJZGRUSLSA-N 1 3 304.438 0.641 20 0 DCADHO CN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC001660321128 1173976086 /nfs/dbraw/zinc/97/60/86/1173976086.db2.gz BJOKRMWBJHRVDR-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(CN1CCCC1)NCCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001660753326 1174045972 /nfs/dbraw/zinc/04/59/72/1174045972.db2.gz QNLIAHAWDRVZOP-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(CN1CCCC1)NCCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001660753326 1174045978 /nfs/dbraw/zinc/04/59/78/1174045978.db2.gz QNLIAHAWDRVZOP-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001664187114 1174407452 /nfs/dbraw/zinc/40/74/52/1174407452.db2.gz USAXSUBGRVJOMH-CQSZACIVSA-N 1 3 320.437 0.275 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC(C)(C)C)C1 ZINC001664186091 1174407542 /nfs/dbraw/zinc/40/75/42/1174407542.db2.gz JYICGEYVXFYSQN-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC(C)(C)C)C1 ZINC001664186091 1174407545 /nfs/dbraw/zinc/40/75/45/1174407545.db2.gz JYICGEYVXFYSQN-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001667694317 1174702657 /nfs/dbraw/zinc/70/26/57/1174702657.db2.gz MTLVAXVVSCLESC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001668086931 1174754256 /nfs/dbraw/zinc/75/42/56/1174754256.db2.gz LXSQLNMYOTYDQP-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001669201017 1174908789 /nfs/dbraw/zinc/90/87/89/1174908789.db2.gz KYHNMAWUPMHZJK-DJYNDVHFSA-N 1 3 322.453 0.403 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001669206787 1174909861 /nfs/dbraw/zinc/90/98/61/1174909861.db2.gz HOOHCKRJQKHYQG-FOSCPCJNSA-N 1 3 324.469 0.505 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCNCc2nccn2C)C1 ZINC001670246440 1174995345 /nfs/dbraw/zinc/99/53/45/1174995345.db2.gz ZKNNYBQIRMWHLX-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNCc2nccn2C)C1 ZINC001670246440 1174995350 /nfs/dbraw/zinc/99/53/50/1174995350.db2.gz ZKNNYBQIRMWHLX-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CCn2cncn2)C1 ZINC001671816305 1175038838 /nfs/dbraw/zinc/03/88/38/1175038838.db2.gz WXSQDELFOAAJEV-INIZCTEOSA-N 1 3 322.457 0.447 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNCCF)CC1 ZINC001674080631 1175251102 /nfs/dbraw/zinc/25/11/02/1175251102.db2.gz XUYGAYACIBKOBP-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNCCF)CC1 ZINC001674080631 1175251101 /nfs/dbraw/zinc/25/11/01/1175251101.db2.gz XUYGAYACIBKOBP-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001686746246 1176210909 /nfs/dbraw/zinc/21/09/09/1176210909.db2.gz MQBQUAMUPGNYEM-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN(CC)[C@H]1CCNC1=O ZINC001689936481 1177117747 /nfs/dbraw/zinc/11/77/47/1177117747.db2.gz QXPXJBHETIUKIW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN(CC)[C@H]1CCNC1=O ZINC001689936481 1177117750 /nfs/dbraw/zinc/11/77/50/1177117750.db2.gz QXPXJBHETIUKIW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001698830096 1177686223 /nfs/dbraw/zinc/68/62/23/1177686223.db2.gz ZEFAUXJJWFVILB-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)C1CCC1 ZINC001699105443 1177860876 /nfs/dbraw/zinc/86/08/76/1177860876.db2.gz UXSSSVIFMXIRRF-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1cc(CC[NH2+]C/C=C/CNC(=O)CN2CCCC2)cn1 ZINC001699361166 1178099865 /nfs/dbraw/zinc/09/98/65/1178099865.db2.gz GFULTVVJNPDOFN-NSCUHMNNSA-N 1 3 305.426 0.320 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001700822125 1178765605 /nfs/dbraw/zinc/76/56/05/1178765605.db2.gz NWLSWCMBRARJQB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCCCC(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001700947515 1178823506 /nfs/dbraw/zinc/82/35/06/1178823506.db2.gz STJACNGNUARGTN-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001703373221 1179508621 /nfs/dbraw/zinc/50/86/21/1179508621.db2.gz HVRDXDZOYAEPJB-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001703373221 1179508626 /nfs/dbraw/zinc/50/86/26/1179508626.db2.gz HVRDXDZOYAEPJB-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCNC1=O ZINC001713013352 1180624338 /nfs/dbraw/zinc/62/43/38/1180624338.db2.gz UJKBJQBQRPBKCD-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cnn(C)c1 ZINC001713028061 1180635503 /nfs/dbraw/zinc/63/55/03/1180635503.db2.gz RXOLWDRXTUBJBA-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1cc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001714342129 1181327662 /nfs/dbraw/zinc/32/76/62/1181327662.db2.gz CKAVKVQRJKIGCA-JKSUJKDBSA-N 1 3 319.453 0.495 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCc2n[nH]c(C)n2)C1 ZINC001714751347 1181523940 /nfs/dbraw/zinc/52/39/40/1181523940.db2.gz ZVBYXWKJDVWITP-CQSZACIVSA-N 1 3 322.457 0.783 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCc2n[nH]c(C)n2)C1 ZINC001714751347 1181523944 /nfs/dbraw/zinc/52/39/44/1181523944.db2.gz ZVBYXWKJDVWITP-CQSZACIVSA-N 1 3 322.457 0.783 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001715252682 1181735557 /nfs/dbraw/zinc/73/55/57/1181735557.db2.gz KOTFFZRAZDAMMH-KGLIPLIRSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC1CCOCC1 ZINC001715898090 1182085690 /nfs/dbraw/zinc/08/56/90/1182085690.db2.gz JEHOTYGGYPLRAV-NSCUHMNNSA-N 1 3 306.410 0.949 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001715911629 1182096068 /nfs/dbraw/zinc/09/60/68/1182096068.db2.gz IVDRUHLJBGGCFV-IHVVCDCBSA-N 1 3 318.421 0.498 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001715913247 1182098561 /nfs/dbraw/zinc/09/85/61/1182098561.db2.gz OAQDOZNNCWYYGE-WAYWQWQTSA-N 1 3 320.437 0.488 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001715947092 1182113296 /nfs/dbraw/zinc/11/32/96/1182113296.db2.gz OANWVNSCJAWQOF-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(C)C(=O)CNC/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716344385 1182347463 /nfs/dbraw/zinc/34/74/63/1182347463.db2.gz VEFUSHBGYHOSJB-GJBLVYBDSA-N 1 3 310.442 0.069 20 0 DCADHO CCN(C)C(=O)CNC/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001716344385 1182347468 /nfs/dbraw/zinc/34/74/68/1182347468.db2.gz VEFUSHBGYHOSJB-GJBLVYBDSA-N 1 3 310.442 0.069 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CCCO)CC2)c1 ZINC001716700743 1182500070 /nfs/dbraw/zinc/50/00/70/1182500070.db2.gz NUFAJBPFVPSRPB-UHFFFAOYSA-N 1 3 305.422 0.983 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCn1cccn1 ZINC001716988459 1182612258 /nfs/dbraw/zinc/61/22/58/1182612258.db2.gz ANZUIPNPWFNRDV-KGLIPLIRSA-N 1 3 316.409 0.533 20 0 DCADHO C[C@@H](O)CN1CCC[C@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001717028380 1182633482 /nfs/dbraw/zinc/63/34/82/1182633482.db2.gz RLRMHGCHXZYTMN-ZBFHGGJFSA-N 1 3 315.458 0.042 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001717828110 1183020571 /nfs/dbraw/zinc/02/05/71/1183020571.db2.gz OJZIZVLVRXQCPZ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717927128 1183066569 /nfs/dbraw/zinc/06/65/69/1183066569.db2.gz LAHJPHNJFQVTPJ-SWLSCSKDSA-N 1 3 321.412 0.577 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001717927128 1183066576 /nfs/dbraw/zinc/06/65/76/1183066576.db2.gz LAHJPHNJFQVTPJ-SWLSCSKDSA-N 1 3 321.412 0.577 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC001720491528 1183628323 /nfs/dbraw/zinc/62/83/23/1183628323.db2.gz XSXLRENMPNQGFE-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC001720491528 1183628326 /nfs/dbraw/zinc/62/83/26/1183628326.db2.gz XSXLRENMPNQGFE-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001723055249 1184255633 /nfs/dbraw/zinc/25/56/33/1184255633.db2.gz MOHARKVXMKMBCG-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](O)CCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001724725163 1184535865 /nfs/dbraw/zinc/53/58/65/1184535865.db2.gz ISJSLWPHVMOZQW-UONOGXRCSA-N 1 3 308.426 0.941 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC/C=C/Cl)C1 ZINC001724825150 1184577148 /nfs/dbraw/zinc/57/71/48/1184577148.db2.gz LEWUGCJEBIPHIJ-DIECRNLCSA-N 1 3 303.834 0.898 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC/C=C/Cl)C1 ZINC001724825150 1184577151 /nfs/dbraw/zinc/57/71/51/1184577151.db2.gz LEWUGCJEBIPHIJ-DIECRNLCSA-N 1 3 303.834 0.898 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001725391806 1184801650 /nfs/dbraw/zinc/80/16/50/1184801650.db2.gz VFWIUEDODZAEOA-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CCCC[NH+](C)C ZINC001725602171 1184907708 /nfs/dbraw/zinc/90/77/08/1184907708.db2.gz YAIYCBOPTHDWER-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCCNC1=O ZINC001731316526 1185261532 /nfs/dbraw/zinc/26/15/32/1185261532.db2.gz BNEZEQNSXMIMSA-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCCNC1=O ZINC001731316526 1185261536 /nfs/dbraw/zinc/26/15/36/1185261536.db2.gz BNEZEQNSXMIMSA-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731938431 1185592392 /nfs/dbraw/zinc/59/23/92/1185592392.db2.gz MOVFPEWCLCTPEJ-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001731938431 1185592395 /nfs/dbraw/zinc/59/23/95/1185592395.db2.gz MOVFPEWCLCTPEJ-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN(CCNCC(=O)NCC1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001731949307 1185601094 /nfs/dbraw/zinc/60/10/94/1185601094.db2.gz DLELJTGKESTHFN-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO COCCOCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001732175567 1185721159 /nfs/dbraw/zinc/72/11/59/1185721159.db2.gz IVKOBVWEVLTXKS-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001732175567 1185721166 /nfs/dbraw/zinc/72/11/66/1185721166.db2.gz IVKOBVWEVLTXKS-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCn1cccn1 ZINC001732359775 1185780263 /nfs/dbraw/zinc/78/02/63/1185780263.db2.gz FIBOYALNTWIIFT-GJZGRUSLSA-N 1 3 307.442 0.567 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001732872194 1186028655 /nfs/dbraw/zinc/02/86/55/1186028655.db2.gz BDJDFIYBNOWZKU-VUBDOFJKSA-N 1 3 322.453 0.257 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001732872194 1186028659 /nfs/dbraw/zinc/02/86/59/1186028659.db2.gz BDJDFIYBNOWZKU-VUBDOFJKSA-N 1 3 322.453 0.257 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001732884487 1186036309 /nfs/dbraw/zinc/03/63/09/1186036309.db2.gz BRLRFBACIXCJOT-WSNITJDQSA-N 1 3 322.453 0.354 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001732945011 1186074881 /nfs/dbraw/zinc/07/48/81/1186074881.db2.gz YVICUGIHLVTTSO-PRQMKSPXSA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001732945011 1186074885 /nfs/dbraw/zinc/07/48/85/1186074885.db2.gz YVICUGIHLVTTSO-PRQMKSPXSA-N 1 3 324.469 0.600 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)CN1CCCC1 ZINC001733143256 1186161023 /nfs/dbraw/zinc/16/10/23/1186161023.db2.gz GUFQOQPQWHGSKR-DOTOQJQBSA-N 1 3 309.454 0.947 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNC/C=C/Cl)C2)C1 ZINC001733749056 1186430873 /nfs/dbraw/zinc/43/08/73/1186430873.db2.gz FLGOSAFGIKREKN-UXLGEMMMSA-N 1 3 315.845 0.898 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNC/C=C/Cl)C2)C1 ZINC001733749056 1186430875 /nfs/dbraw/zinc/43/08/75/1186430875.db2.gz FLGOSAFGIKREKN-UXLGEMMMSA-N 1 3 315.845 0.898 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC001736793225 1187107934 /nfs/dbraw/zinc/10/79/34/1187107934.db2.gz UHCWPDLNNUGDCK-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCCNC(=O)CC[NH+](C)C)C1 ZINC001743696544 1188156936 /nfs/dbraw/zinc/15/69/36/1188156936.db2.gz TVMREVZFDQQTGC-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)CCC[NH+]1CCCC1 ZINC001753266109 1188553825 /nfs/dbraw/zinc/55/38/25/1188553825.db2.gz XIZCLSVESPOAJS-UHFFFAOYSA-N 1 3 307.442 0.844 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNCC(=O)N1CCCC1)[NH+](C)C ZINC001754136299 1188756391 /nfs/dbraw/zinc/75/63/91/1188756391.db2.gz RXHFSZFFJJUOKV-KJPDOMRESA-N 1 3 324.469 0.457 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCOCC(F)F ZINC001755116292 1189028323 /nfs/dbraw/zinc/02/83/23/1189028323.db2.gz KRMGVFDXOVBGPE-PWSUYJOCSA-N 1 3 316.352 0.670 20 0 DCADHO CCOCCN1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001755377588 1189096219 /nfs/dbraw/zinc/09/62/19/1189096219.db2.gz WMMPTUCXHNCULQ-BBRMVZONSA-N 1 3 309.454 0.801 20 0 DCADHO COCCCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001755443772 1189114010 /nfs/dbraw/zinc/11/40/10/1189114010.db2.gz DAPDWROJVXHBBE-UKRRQHHQSA-N 1 3 324.425 0.584 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC001772222914 1190634892 /nfs/dbraw/zinc/63/48/92/1190634892.db2.gz OKWNWAWMNHLBRI-CVEARBPZSA-N 1 3 304.438 0.618 20 0 DCADHO O=C([C@@H]1C[NH2+]C[C@H]1Cc1ccccc1)N1CCOC2(CNC2)C1 ZINC001772255656 1190645313 /nfs/dbraw/zinc/64/53/13/1190645313.db2.gz ZJOAUVJDDVZEKL-HZPDHXFCSA-N 1 3 315.417 0.266 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473719 751411258 /nfs/dbraw/zinc/41/12/58/751411258.db2.gz DEGHQIMDCLDVQF-MRXNPFEDSA-N 1 3 302.422 0.938 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475367 751413274 /nfs/dbraw/zinc/41/32/74/751413274.db2.gz UOVJAWGIFBVXKZ-CYBMUJFWSA-N 1 3 308.451 0.999 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC[C@H](C)C2)CC[N@@H+]1C ZINC001127689943 751637259 /nfs/dbraw/zinc/63/72/59/751637259.db2.gz CUUAQEFFAOANQX-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC[C@H](C)C2)CC[N@H+]1C ZINC001127689943 751637266 /nfs/dbraw/zinc/63/72/66/751637266.db2.gz CUUAQEFFAOANQX-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626484 747436728 /nfs/dbraw/zinc/43/67/28/747436728.db2.gz CGFGJQTTWODQCZ-HUUCEWRRSA-N 1 3 315.458 0.353 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCO)C1 ZINC001087393113 747916545 /nfs/dbraw/zinc/91/65/45/747916545.db2.gz RHIFYJMDZMGQLZ-MXAVVETBSA-N 1 3 304.394 0.113 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCO)C1 ZINC001087393113 747916550 /nfs/dbraw/zinc/91/65/50/747916550.db2.gz RHIFYJMDZMGQLZ-MXAVVETBSA-N 1 3 304.394 0.113 20 0 DCADHO CC[C@H](C)CNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320833 748129765 /nfs/dbraw/zinc/12/97/65/748129765.db2.gz LQOFTYRRRGZOQX-ZDUSSCGKSA-N 1 3 322.457 0.749 20 0 DCADHO [NH3+]CCc1nnn(-c2cccc3cc([C@H]4CNCCO4)cn32)n1 ZINC001167791697 748314254 /nfs/dbraw/zinc/31/42/54/748314254.db2.gz IVLQQEHIFOWQKI-CYBMUJFWSA-N 1 3 313.365 0.077 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001167836311 748412335 /nfs/dbraw/zinc/41/23/35/748412335.db2.gz SXTGIURSRHKZKN-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1ncn(-c2ccc(NC(=N)NCCCC[NH3+])nn2)c1C ZINC001167880194 748460266 /nfs/dbraw/zinc/46/02/66/748460266.db2.gz BKMBUUZCUZXETE-UHFFFAOYSA-N 1 3 302.386 0.954 20 0 DCADHO C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)C(N)=O ZINC001112535963 748853336 /nfs/dbraw/zinc/85/33/36/748853336.db2.gz JQNNCHGCBBVEML-WQGACYEGSA-N 1 3 319.409 0.044 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994914 749180702 /nfs/dbraw/zinc/18/07/02/749180702.db2.gz KFJCKADSBFSPRW-ZNMIVQPWSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994914 749180707 /nfs/dbraw/zinc/18/07/07/749180707.db2.gz KFJCKADSBFSPRW-ZNMIVQPWSA-N 1 3 309.454 0.632 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121172 749245992 /nfs/dbraw/zinc/24/59/92/749245992.db2.gz RYDWZUOATGIHLW-MJBXVCDLSA-N 1 3 306.410 0.767 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121172 749245997 /nfs/dbraw/zinc/24/59/97/749245997.db2.gz RYDWZUOATGIHLW-MJBXVCDLSA-N 1 3 306.410 0.767 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCN1CCCO ZINC001088574780 749679948 /nfs/dbraw/zinc/67/99/48/749679948.db2.gz QHIRTTNNDKDXFR-KGLIPLIRSA-N 1 3 323.441 0.020 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1C ZINC001102525162 750093687 /nfs/dbraw/zinc/09/36/87/750093687.db2.gz NUGLAJHARYQOHE-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1C ZINC001102525162 750093690 /nfs/dbraw/zinc/09/36/90/750093690.db2.gz NUGLAJHARYQOHE-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077311878 750339648 /nfs/dbraw/zinc/33/96/48/750339648.db2.gz CLUPUANOEBYCOZ-NILFDRSVSA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077311878 750339655 /nfs/dbraw/zinc/33/96/55/750339655.db2.gz CLUPUANOEBYCOZ-NILFDRSVSA-N 1 3 318.377 0.144 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001077506265 750874224 /nfs/dbraw/zinc/87/42/24/750874224.db2.gz OHALHAFTYFCOCH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780416 751012649 /nfs/dbraw/zinc/01/26/49/751012649.db2.gz VDMSMHUPHXUTSM-ZFWWWQNUSA-N 1 3 320.441 0.503 20 0 DCADHO CCCNCc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780416 751012657 /nfs/dbraw/zinc/01/26/57/751012657.db2.gz VDMSMHUPHXUTSM-ZFWWWQNUSA-N 1 3 320.441 0.503 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106313262 751107281 /nfs/dbraw/zinc/10/72/81/751107281.db2.gz UQXCDEPBKQJCDU-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO Cc1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)nn1C ZINC001106627180 751208487 /nfs/dbraw/zinc/20/84/87/751208487.db2.gz WBMWPDLFTSIYOQ-UKRRQHHQSA-N 1 3 321.469 0.864 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106666000 751221406 /nfs/dbraw/zinc/22/14/06/751221406.db2.gz DPBQVOBPHAKLNO-RRFJBIMHSA-N 1 3 324.469 0.101 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705105 751238348 /nfs/dbraw/zinc/23/83/48/751238348.db2.gz RFPDQUUUMUOSSB-CHWSQXEVSA-N 1 3 321.425 0.115 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001045070524 753032411 /nfs/dbraw/zinc/03/24/11/753032411.db2.gz JMJAXIAOMFIFCO-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001045273842 753123821 /nfs/dbraw/zinc/12/38/21/753123821.db2.gz XQVMIXUEVZYFLG-KGLIPLIRSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001045273842 753123825 /nfs/dbraw/zinc/12/38/25/753123825.db2.gz XQVMIXUEVZYFLG-KGLIPLIRSA-N 1 3 320.441 0.536 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224638 753129600 /nfs/dbraw/zinc/12/96/00/753129600.db2.gz RSPDFMWCSZSXMG-HZPDHXFCSA-N 1 3 305.422 0.933 20 0 DCADHO C[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117275769 753655708 /nfs/dbraw/zinc/65/57/08/753655708.db2.gz HKHFGSRUJYHLPC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCN(C(=[NH2+])Nc2ccc3c(c2)COC32CNC2)CC1 ZINC001168741454 754048578 /nfs/dbraw/zinc/04/85/78/754048578.db2.gz ZNQPOHBTLLHYQF-UHFFFAOYSA-N 1 3 301.394 0.609 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001128553395 754091816 /nfs/dbraw/zinc/09/18/16/754091816.db2.gz WUARMBLTMOYELI-YPMHNXCESA-N 1 3 316.421 0.039 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128773551 754270125 /nfs/dbraw/zinc/27/01/25/754270125.db2.gz BEJIOZXODHUKKH-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128773551 754270130 /nfs/dbraw/zinc/27/01/30/754270130.db2.gz BEJIOZXODHUKKH-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511496 754346641 /nfs/dbraw/zinc/34/66/41/754346641.db2.gz GRNPDNWPARRCDT-SNPRPXQTSA-N 1 3 315.433 0.580 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCc1cnn(CC)c1 ZINC001168755601 754422910 /nfs/dbraw/zinc/42/29/10/754422910.db2.gz ODQPPXDSDIMOHA-UHFFFAOYSA-N 1 3 309.458 0.883 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1n1ccnn1 ZINC001129220533 754571619 /nfs/dbraw/zinc/57/16/19/754571619.db2.gz ZBUICOAELQWVGH-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058833 755096463 /nfs/dbraw/zinc/09/64/63/755096463.db2.gz IYZSDUUZQNJZST-FPCVCCKLSA-N 1 3 309.454 0.753 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058833 755096465 /nfs/dbraw/zinc/09/64/65/755096465.db2.gz IYZSDUUZQNJZST-FPCVCCKLSA-N 1 3 309.454 0.753 20 0 DCADHO C[C@@H]1CN(CC(=O)NC(=O)NCc2ccccc2)C[C@H]1CC[NH3+] ZINC000903494910 755233947 /nfs/dbraw/zinc/23/39/47/755233947.db2.gz QDWRHNPSQORNAA-UKRRQHHQSA-N 1 3 318.421 0.929 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049506610 755288915 /nfs/dbraw/zinc/28/89/15/755288915.db2.gz ZHAFYQWAUBPFTG-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049506610 755288918 /nfs/dbraw/zinc/28/89/18/755288918.db2.gz ZHAFYQWAUBPFTG-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCO ZINC001049506610 755288921 /nfs/dbraw/zinc/28/89/21/755288921.db2.gz ZHAFYQWAUBPFTG-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCO ZINC001049506610 755288924 /nfs/dbraw/zinc/28/89/24/755288924.db2.gz ZHAFYQWAUBPFTG-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CCN2CCO ZINC001049615482 755336908 /nfs/dbraw/zinc/33/69/08/755336908.db2.gz KPCBLEHWBTULEI-ULQDDVLXSA-N 1 3 321.465 0.918 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052872241 755848979 /nfs/dbraw/zinc/84/89/79/755848979.db2.gz YYRODUHKNODZDX-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079802393 756011640 /nfs/dbraw/zinc/01/16/40/756011640.db2.gz HGQFEFPROQUGBV-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079802393 756011645 /nfs/dbraw/zinc/01/16/45/756011645.db2.gz HGQFEFPROQUGBV-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001080444041 756216068 /nfs/dbraw/zinc/21/60/68/756216068.db2.gz CFOHZPAPMFWKHJ-INIZCTEOSA-N 1 3 324.469 0.338 20 0 DCADHO CC1([NH3+])CN(C(=O)[C@H](N)CCC(=O)OCc2ccccc2)C1 ZINC001157643641 762465188 /nfs/dbraw/zinc/46/51/88/762465188.db2.gz FRUFQLRZGZJKIK-CYBMUJFWSA-N 1 3 305.378 0.397 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC001054735049 756620855 /nfs/dbraw/zinc/62/08/55/756620855.db2.gz HHXQVBRAYATCHC-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC001082742714 757253144 /nfs/dbraw/zinc/25/31/44/757253144.db2.gz PJJSDPJORKPKDN-ARFHVFGLSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cncn1C ZINC001082861500 757301537 /nfs/dbraw/zinc/30/15/37/757301537.db2.gz CZNIMXIKFGKXEK-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cncn1C ZINC001082861500 757301547 /nfs/dbraw/zinc/30/15/47/757301547.db2.gz CZNIMXIKFGKXEK-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050047241 757304748 /nfs/dbraw/zinc/30/47/48/757304748.db2.gz SYNJQOPGQZSPMZ-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050047241 757304761 /nfs/dbraw/zinc/30/47/61/757304761.db2.gz SYNJQOPGQZSPMZ-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(N)=O ZINC001082941612 757340838 /nfs/dbraw/zinc/34/08/38/757340838.db2.gz BWPAKPZEZGXMCA-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+]1CCC(CC(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CC1 ZINC001084702653 757978542 /nfs/dbraw/zinc/97/85/42/757978542.db2.gz KMFRDJAMCZKEAS-HZPDHXFCSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050774571 758047715 /nfs/dbraw/zinc/04/77/15/758047715.db2.gz ZYUIHTQIQIRCRI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851120 758082713 /nfs/dbraw/zinc/08/27/13/758082713.db2.gz NSPUKIDHWSEWRS-BZUAXINKSA-N 1 3 309.454 0.776 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)NC)CCCCC1 ZINC001120045986 758195422 /nfs/dbraw/zinc/19/54/22/758195422.db2.gz LJGVPBLDTLMAAE-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CC(C)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731627 759246289 /nfs/dbraw/zinc/24/62/89/759246289.db2.gz GNOLAQGSVVOEPC-GYMHETDLSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)N1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731627 759246291 /nfs/dbraw/zinc/24/62/91/759246291.db2.gz GNOLAQGSVVOEPC-GYMHETDLSA-N 1 3 307.438 0.791 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1cc(C[NH+](C)C)ccn1 ZINC001155084509 759480832 /nfs/dbraw/zinc/48/08/32/759480832.db2.gz YTKUHDNYUHDJRC-UHFFFAOYSA-N 1 3 303.366 0.964 20 0 DCADHO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573450 759500390 /nfs/dbraw/zinc/50/03/90/759500390.db2.gz WESRVWCFENUCIP-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573450 759500397 /nfs/dbraw/zinc/50/03/97/759500397.db2.gz WESRVWCFENUCIP-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cnnn3C)C2)CC[N@@H+]1C ZINC001086090477 759703730 /nfs/dbraw/zinc/70/37/30/759703730.db2.gz AYJKJXPHEYUBMJ-GUIRCDHDSA-N 1 3 320.441 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3cnnn3C)C2)CC[N@H+]1C ZINC001086090477 759703738 /nfs/dbraw/zinc/70/37/38/759703738.db2.gz AYJKJXPHEYUBMJ-GUIRCDHDSA-N 1 3 320.441 0.140 20 0 DCADHO CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086150956 759768711 /nfs/dbraw/zinc/76/87/11/759768711.db2.gz HVIMFQPTWLZNMJ-CLEAANHHSA-N 1 3 321.465 0.990 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999629 767893602 /nfs/dbraw/zinc/89/36/02/767893602.db2.gz AUKCVGBSKJDBNA-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086216896 759857141 /nfs/dbraw/zinc/85/71/41/759857141.db2.gz FOZBBUBALPZFJH-XQLPTFJDSA-N 1 3 324.469 0.608 20 0 DCADHO Cc1nccnc1C[NH2+]CCNC(=O)c1cnccc1N(C)C ZINC001148057765 767906510 /nfs/dbraw/zinc/90/65/10/767906510.db2.gz KAQZLCXYMWKMFT-UHFFFAOYSA-N 1 3 314.393 0.766 20 0 DCADHO CC(C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086432316 760183125 /nfs/dbraw/zinc/18/31/25/760183125.db2.gz RBPITDAHCGGDJP-RJZXRHAOSA-N 1 3 307.438 0.742 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCCOC)C[C@H]1O ZINC001100085919 760199195 /nfs/dbraw/zinc/19/91/95/760199195.db2.gz STJFVFVNEDUAEP-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCCOC)C[C@H]1O ZINC001100085919 760199199 /nfs/dbraw/zinc/19/91/99/760199199.db2.gz STJFVFVNEDUAEP-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CN1CCN(c2ccc(-n3cncc3C[C@@H]([NH3+])CO)cc2)CC1 ZINC001169073895 760573222 /nfs/dbraw/zinc/57/32/22/760573222.db2.gz NTCMOGHSUYWVGT-CQSZACIVSA-N 1 3 315.421 0.486 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001148365135 767973519 /nfs/dbraw/zinc/97/35/19/767973519.db2.gz IDCPPFKTFRJECV-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768680 761038319 /nfs/dbraw/zinc/03/83/19/761038319.db2.gz DLBMCWCWWBZNLA-OBJOEFQTSA-N 1 3 319.409 0.057 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001129370400 761097119 /nfs/dbraw/zinc/09/71/19/761097119.db2.gz RQKMXSRYMFRYCQ-CABCVRRESA-N 1 3 322.457 0.617 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(C)C)C[C@@H]1n1ccnn1 ZINC001129370400 761097129 /nfs/dbraw/zinc/09/71/29/761097129.db2.gz RQKMXSRYMFRYCQ-CABCVRRESA-N 1 3 322.457 0.617 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001148571183 768008763 /nfs/dbraw/zinc/00/87/63/768008763.db2.gz ZKIKYJOCAMLNOL-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001148571183 768008771 /nfs/dbraw/zinc/00/87/71/768008771.db2.gz ZKIKYJOCAMLNOL-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735136 768017327 /nfs/dbraw/zinc/01/73/27/768017327.db2.gz LNVQTAWWKKWEFZ-FMKPAKJESA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735136 768017331 /nfs/dbraw/zinc/01/73/31/768017331.db2.gz LNVQTAWWKKWEFZ-FMKPAKJESA-N 1 3 309.454 0.632 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001148642824 768022475 /nfs/dbraw/zinc/02/24/75/768022475.db2.gz OKVAAQGPNAXQPV-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC001148655551 768025104 /nfs/dbraw/zinc/02/51/04/768025104.db2.gz OGQYWIBRWMBEGL-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001148656104 768025378 /nfs/dbraw/zinc/02/53/78/768025378.db2.gz VKGTUXCCACZUMO-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cncn1C ZINC001070655246 761378880 /nfs/dbraw/zinc/37/88/80/761378880.db2.gz BKORQCLOEPVXKO-HUUCEWRRSA-N 1 3 319.453 0.808 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070754844 761431994 /nfs/dbraw/zinc/43/19/94/761431994.db2.gz WMZBHTZHNKRWQW-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070754844 761431997 /nfs/dbraw/zinc/43/19/97/761431997.db2.gz WMZBHTZHNKRWQW-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](n2cc(CNCC3CC3)nn2)C1 ZINC001098722553 762715420 /nfs/dbraw/zinc/71/54/20/762715420.db2.gz NYZVVYQCXHOESB-OAHLLOKOSA-N 1 3 320.441 0.503 20 0 DCADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CCCN1C)CC[NH+](CCO)CC2 ZINC001086907927 768089505 /nfs/dbraw/zinc/08/95/05/768089505.db2.gz IDHRGOACYGJQHH-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001129421597 762933960 /nfs/dbraw/zinc/93/39/60/762933960.db2.gz ARMQSWHKMZVHIX-DZGCQCFKSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001129421597 762933964 /nfs/dbraw/zinc/93/39/64/762933964.db2.gz ARMQSWHKMZVHIX-DZGCQCFKSA-N 1 3 324.469 0.622 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC001129436837 762943789 /nfs/dbraw/zinc/94/37/89/762943789.db2.gz TYHIAQONXUUQOW-DLBZAZTESA-N 1 3 319.449 0.636 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129842349 763023595 /nfs/dbraw/zinc/02/35/95/763023595.db2.gz WQSKKPBEXBDTDW-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129842349 763023601 /nfs/dbraw/zinc/02/36/01/763023601.db2.gz WQSKKPBEXBDTDW-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129855087 763024192 /nfs/dbraw/zinc/02/41/92/763024192.db2.gz CFOJEKXAVLXLRR-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129855087 763024201 /nfs/dbraw/zinc/02/42/01/763024201.db2.gz CFOJEKXAVLXLRR-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949669 763054820 /nfs/dbraw/zinc/05/48/20/763054820.db2.gz HKDOKHHQYMENNI-HIFRSBDPSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N[C@H](C)C1CC1)[NH+](C)C ZINC001129950216 763055467 /nfs/dbraw/zinc/05/54/67/763055467.db2.gz ONMUVSNDFFDUHH-DOMZBBRYSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001129950491 763055590 /nfs/dbraw/zinc/05/55/90/763055590.db2.gz VOBGJBMXMYQDJZ-ZFWWWQNUSA-N 1 3 312.458 0.195 20 0 DCADHO COc1cc(CNCCNC(=O)[C@H](C(C)C)[NH+](C)C)ccn1 ZINC001129947196 763065720 /nfs/dbraw/zinc/06/57/20/763065720.db2.gz NRDSTHWCGCVETN-HNNXBMFYSA-N 1 3 308.426 0.882 20 0 DCADHO COCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 ZINC001099879038 763096391 /nfs/dbraw/zinc/09/63/91/763096391.db2.gz DJEOBKRAFXKEID-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 ZINC001099879038 763096396 /nfs/dbraw/zinc/09/63/96/763096396.db2.gz DJEOBKRAFXKEID-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)C23CCC[NH+](CCC2)C3)C1=O ZINC001130173999 763153816 /nfs/dbraw/zinc/15/38/16/763153816.db2.gz YJUOGCNIODQJEG-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CCCC[C@@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130173709 763162750 /nfs/dbraw/zinc/16/27/50/763162750.db2.gz LMGQGGGNRTUVLG-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC)N(C)C ZINC001130200057 763183330 /nfs/dbraw/zinc/18/33/30/763183330.db2.gz CFFDWRCXLFFUAD-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O)CC(C)(C)C ZINC001100013580 763217365 /nfs/dbraw/zinc/21/73/65/763217365.db2.gz PILGEGCLJXCKRN-ZIAGYGMSSA-N 1 3 317.449 0.875 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O)CC(C)(C)C ZINC001100013580 763217373 /nfs/dbraw/zinc/21/73/73/763217373.db2.gz PILGEGCLJXCKRN-ZIAGYGMSSA-N 1 3 317.449 0.875 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O)CC(C)(C)C ZINC001100013893 763218740 /nfs/dbraw/zinc/21/87/40/763218740.db2.gz VBCWTOORRIGACS-CABCVRRESA-N 1 3 311.470 0.926 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O)CC(C)(C)C ZINC001100013893 763218747 /nfs/dbraw/zinc/21/87/47/763218747.db2.gz VBCWTOORRIGACS-CABCVRRESA-N 1 3 311.470 0.926 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NCC(C)C ZINC001130421592 763295361 /nfs/dbraw/zinc/29/53/61/763295361.db2.gz BDFMJZFHQYIQBC-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NCC(C)C ZINC001130421592 763295368 /nfs/dbraw/zinc/29/53/68/763295368.db2.gz BDFMJZFHQYIQBC-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H](C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1)N(C)C ZINC001130430509 763300511 /nfs/dbraw/zinc/30/05/11/763300511.db2.gz BBULQIAABJADBM-JSGCOSHPSA-N 1 3 323.441 0.148 20 0 DCADHO CC[C@@H](C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1)N(C)C ZINC001130430509 763300519 /nfs/dbraw/zinc/30/05/19/763300519.db2.gz BBULQIAABJADBM-JSGCOSHPSA-N 1 3 323.441 0.148 20 0 DCADHO CC[N@H+](C)CCC(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 ZINC001130439879 763319009 /nfs/dbraw/zinc/31/90/09/763319009.db2.gz XIJFDIUFRNNOGB-ZDUSSCGKSA-N 1 3 323.441 0.149 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 ZINC001130439879 763319018 /nfs/dbraw/zinc/31/90/18/763319018.db2.gz XIJFDIUFRNNOGB-ZDUSSCGKSA-N 1 3 323.441 0.149 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001130711022 763449754 /nfs/dbraw/zinc/44/97/54/763449754.db2.gz LMPQCNPWVWNFGK-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001130711022 763449757 /nfs/dbraw/zinc/44/97/57/763449757.db2.gz LMPQCNPWVWNFGK-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001130713060 763451215 /nfs/dbraw/zinc/45/12/15/763451215.db2.gz AMJIMZDZRDZCTK-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001130713060 763451216 /nfs/dbraw/zinc/45/12/16/763451216.db2.gz AMJIMZDZRDZCTK-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805802 763500954 /nfs/dbraw/zinc/50/09/54/763500954.db2.gz NPDUQNNARZOBMU-UHFFFAOYSA-N 1 3 305.426 0.563 20 0 DCADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCn2cccn2)C1)C1CC1 ZINC001100407032 763556156 /nfs/dbraw/zinc/55/61/56/763556156.db2.gz VDKFFSYHOOCGIO-BCLQGDPASA-N 1 3 319.453 0.708 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2ccnn2C)C1)C1CC1 ZINC001100407810 763557185 /nfs/dbraw/zinc/55/71/85/763557185.db2.gz KTNSQGKNLUDOGG-LDZOIKDWSA-N 1 3 319.453 0.745 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001100651838 763702016 /nfs/dbraw/zinc/70/20/16/763702016.db2.gz LINBWTPAOWOFAZ-AVVWSFFYSA-N 1 3 321.469 0.991 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678206 763719567 /nfs/dbraw/zinc/71/95/67/763719567.db2.gz CNKNMVMDWDPNMD-NFOMZHRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1 ZINC001100769280 763774009 /nfs/dbraw/zinc/77/40/09/763774009.db2.gz BRLWCPNEFCEXMH-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](Nc1ncc(F)c(C2CC[NH2+]CC2)n1)[C@@H]1CNCCO1 ZINC001170561393 763820772 /nfs/dbraw/zinc/82/07/72/763820772.db2.gz DWGQCLWHPNQOFP-MFKMUULPSA-N 1 3 309.389 0.872 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC1 ZINC001131786163 764032114 /nfs/dbraw/zinc/03/21/14/764032114.db2.gz IAICTCUCFFXBRX-INIZCTEOSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)C2(C[NH+](C)C)CCCCC2)C1=O ZINC001131799318 764036572 /nfs/dbraw/zinc/03/65/72/764036572.db2.gz MURKAVNRAOSDDI-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCOCCO)C1 ZINC001132410498 764447172 /nfs/dbraw/zinc/44/71/72/764447172.db2.gz MMSBGXSWTZBGSU-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCOCCO)C1 ZINC001132410498 764447180 /nfs/dbraw/zinc/44/71/80/764447180.db2.gz MMSBGXSWTZBGSU-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCOCCO)C1 ZINC001132410501 764448003 /nfs/dbraw/zinc/44/80/03/764448003.db2.gz MMSBGXSWTZBGSU-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCOCCO)C1 ZINC001132410501 764448009 /nfs/dbraw/zinc/44/80/09/764448009.db2.gz MMSBGXSWTZBGSU-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051906 764510905 /nfs/dbraw/zinc/51/09/05/764510905.db2.gz SEOKOCPKVGNTBC-NFAWXSAZSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051906 764510909 /nfs/dbraw/zinc/51/09/09/764510909.db2.gz SEOKOCPKVGNTBC-NFAWXSAZSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294061 764581052 /nfs/dbraw/zinc/58/10/52/764581052.db2.gz GGAQYWNHTMJTNQ-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314448 764591697 /nfs/dbraw/zinc/59/16/97/764591697.db2.gz JFNIXSCBDIBGAE-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320509 764597092 /nfs/dbraw/zinc/59/70/92/764597092.db2.gz FWYLHECWGVVUTL-HZSPNIEDSA-N 1 3 312.458 0.099 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N(C)CC)C1 ZINC001132738070 764615552 /nfs/dbraw/zinc/61/55/52/764615552.db2.gz VCPBGKQRWUMUMW-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N(C)CC)C1 ZINC001132738070 764615557 /nfs/dbraw/zinc/61/55/57/764615557.db2.gz VCPBGKQRWUMUMW-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO Cc1nccnc1C[NH2+]CCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132848856 764690797 /nfs/dbraw/zinc/69/07/97/764690797.db2.gz UJKZOMCHQHYGLW-OAHLLOKOSA-N 1 3 321.425 0.100 20 0 DCADHO Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CN(C(C)C)CCO2)cn1 ZINC001132848902 764691045 /nfs/dbraw/zinc/69/10/45/764691045.db2.gz VVXOIMFAZKPAEJ-OAHLLOKOSA-N 1 3 321.425 0.100 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993442 764782796 /nfs/dbraw/zinc/78/27/96/764782796.db2.gz UKUJAIVFFWHICE-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995514 764784040 /nfs/dbraw/zinc/78/40/40/764784040.db2.gz WMUHVRSLIQJISA-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)CCC[NH+](C)C)C1 ZINC001133040510 764799512 /nfs/dbraw/zinc/79/95/12/764799512.db2.gz UNWBTTAAEFJKCT-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCO)C2)CC1 ZINC001133195021 764870202 /nfs/dbraw/zinc/87/02/02/764870202.db2.gz OCFYWLRJMACBHB-HOTGVXAUSA-N 1 3 311.470 0.785 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)C2CC[NH+](C)CC2)ccn1 ZINC001133285922 764905926 /nfs/dbraw/zinc/90/59/26/764905926.db2.gz OKULNELHCVGKFD-UHFFFAOYSA-N 1 3 319.453 0.695 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001133288301 764907793 /nfs/dbraw/zinc/90/77/93/764907793.db2.gz USLXUEQKHDRADT-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103435155 765054400 /nfs/dbraw/zinc/05/44/00/765054400.db2.gz RVXJLFUBWWGUQY-OWCLPIDISA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103435155 765054409 /nfs/dbraw/zinc/05/44/09/765054409.db2.gz RVXJLFUBWWGUQY-OWCLPIDISA-N 1 3 311.470 0.927 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103641939 765101278 /nfs/dbraw/zinc/10/12/78/765101278.db2.gz JXKIVLUVGNOJLQ-RBSFLKMASA-N 1 3 324.469 0.148 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103641939 765101281 /nfs/dbraw/zinc/10/12/81/765101281.db2.gz JXKIVLUVGNOJLQ-RBSFLKMASA-N 1 3 324.469 0.148 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001103677190 765104056 /nfs/dbraw/zinc/10/40/56/765104056.db2.gz PFYANXRGPNDFLW-TZMCWYRMSA-N 1 3 308.426 0.717 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001103677190 765104067 /nfs/dbraw/zinc/10/40/67/765104067.db2.gz PFYANXRGPNDFLW-TZMCWYRMSA-N 1 3 308.426 0.717 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN2CCC[C@H]2C)n1 ZINC001133819495 765149683 /nfs/dbraw/zinc/14/96/83/765149683.db2.gz DPNPNMWSFJNFAR-GFCCVEGCSA-N 1 3 309.414 0.501 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001133823646 765153867 /nfs/dbraw/zinc/15/38/67/765153867.db2.gz LDXVTWKDJGYJQE-NWDGAFQWSA-N 1 3 305.369 0.601 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(=O)NC1CC1 ZINC001133897045 765214505 /nfs/dbraw/zinc/21/45/05/765214505.db2.gz WXRPIKSNHAPFLB-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCNC(=O)C1CC1)CC(C)(C)C ZINC001133907862 765220099 /nfs/dbraw/zinc/22/00/99/765220099.db2.gz BCJLDAKSMDERMM-UHFFFAOYSA-N 1 3 312.458 0.196 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908046 765220178 /nfs/dbraw/zinc/22/01/78/765220178.db2.gz FIIWKNJSFBGALK-ZDUSSCGKSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@@H](COCC(=O)NCCNC/C=C\Cl)[NH+]1CCCC1 ZINC001134020514 765289733 /nfs/dbraw/zinc/28/97/33/765289733.db2.gz CQGGWGTXHISQCV-ZFDPJTLLSA-N 1 3 303.834 0.946 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001159155760 765484231 /nfs/dbraw/zinc/48/42/31/765484231.db2.gz UDJPPCHWACMAPG-CYBMUJFWSA-N 1 3 318.437 0.287 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001134584605 765581043 /nfs/dbraw/zinc/58/10/43/765581043.db2.gz VMVUQRPWESWNBS-STQMWFEESA-N 1 3 322.457 0.672 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001134774059 765666344 /nfs/dbraw/zinc/66/63/44/765666344.db2.gz UMOOYWXORMLQQJ-NWDGAFQWSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H](C(=O)NCCNCc1ccnn1C)[NH+]1CCCCCC1 ZINC001134749904 765654750 /nfs/dbraw/zinc/65/47/50/765654750.db2.gz FVBRSQJRFGQFQC-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@H](C(=O)NCCNCc1ccnn1C)[NH+]1CCCCCC1 ZINC001134749905 765654855 /nfs/dbraw/zinc/65/48/55/765654855.db2.gz FVBRSQJRFGQFQC-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001134766576 765661118 /nfs/dbraw/zinc/66/11/18/765661118.db2.gz IZJIXILUCKHRKE-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866405 768315971 /nfs/dbraw/zinc/31/59/71/768315971.db2.gz BRONLKOSJZKEMI-JSGCOSHPSA-N 1 3 312.458 0.480 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124867629 768318394 /nfs/dbraw/zinc/31/83/94/768318394.db2.gz WRIAYYKQYFAPED-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO COc1ccc(CN[C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)nn1 ZINC001135372822 765908640 /nfs/dbraw/zinc/90/86/40/765908640.db2.gz SZDDTSAHPYBWIA-QWHCGFSZSA-N 1 3 323.441 0.810 20 0 DCADHO CO[C@H](C)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488370 765917972 /nfs/dbraw/zinc/91/79/72/765917972.db2.gz UEPKGWJFASKEEM-CYBMUJFWSA-N 1 3 324.425 0.272 20 0 DCADHO CO[C@H](C)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488370 765917976 /nfs/dbraw/zinc/91/79/76/765917976.db2.gz UEPKGWJFASKEEM-CYBMUJFWSA-N 1 3 324.425 0.272 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C(C)C ZINC001135474319 765939898 /nfs/dbraw/zinc/93/98/98/765939898.db2.gz NEPOAGACHOTPGX-KBPBESRZSA-N 1 3 314.474 0.535 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC001135513765 765967428 /nfs/dbraw/zinc/96/74/28/765967428.db2.gz YBVPTVXHUXWPMH-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC001135669689 766031860 /nfs/dbraw/zinc/03/18/60/766031860.db2.gz BLOXYCSVHHYXSD-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC001135669689 766031861 /nfs/dbraw/zinc/03/18/61/766031861.db2.gz BLOXYCSVHHYXSD-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001135742918 766084486 /nfs/dbraw/zinc/08/44/86/766084486.db2.gz AVBKKQBLVOWTLL-STQMWFEESA-N 1 3 310.446 0.530 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC001117984744 766187405 /nfs/dbraw/zinc/18/74/05/766187405.db2.gz ALMUZRXJPRJYNL-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)C[NH2+]CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001118218619 766258697 /nfs/dbraw/zinc/25/86/97/766258697.db2.gz JCDGWMIMOKQQPY-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001119351571 766642499 /nfs/dbraw/zinc/64/24/99/766642499.db2.gz XBBJYPCIWFNLRM-KBPBESRZSA-N 1 3 320.437 0.477 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C[C@H](C)CC(=O)OC ZINC001144390116 766878531 /nfs/dbraw/zinc/87/85/31/766878531.db2.gz ZXBYHWDPDJYRTF-NSHDSACASA-N 1 3 300.403 0.640 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001120017761 766883885 /nfs/dbraw/zinc/88/38/85/766883885.db2.gz HSDUOXHKAWOBPG-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001120017761 766883896 /nfs/dbraw/zinc/88/38/96/766883896.db2.gz HSDUOXHKAWOBPG-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO Cc1nnsc1CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091365268 767213992 /nfs/dbraw/zinc/21/39/92/767213992.db2.gz UWBGHOIEYQAXON-CPCZMJQVSA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091365268 767213997 /nfs/dbraw/zinc/21/39/97/767213997.db2.gz UWBGHOIEYQAXON-CPCZMJQVSA-N 1 3 323.466 0.783 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001146591522 767485830 /nfs/dbraw/zinc/48/58/30/767485830.db2.gz HJXARDLNIYQSJB-QWHCGFSZSA-N 1 3 310.446 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595332 767487043 /nfs/dbraw/zinc/48/70/43/767487043.db2.gz YOWPULPFMLKEAZ-UONOGXRCSA-N 1 3 314.474 0.724 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146710266 767509647 /nfs/dbraw/zinc/50/96/47/767509647.db2.gz ILVLRYSMJFUJCV-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)c1ccco1 ZINC001146709661 767508158 /nfs/dbraw/zinc/50/81/58/767508158.db2.gz AOFFYVDPRIQPEG-ZDUSSCGKSA-N 1 3 324.425 0.504 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)c1ccco1 ZINC001146709661 767508164 /nfs/dbraw/zinc/50/81/64/767508164.db2.gz AOFFYVDPRIQPEG-ZDUSSCGKSA-N 1 3 324.425 0.504 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146710266 767509645 /nfs/dbraw/zinc/50/96/45/767509645.db2.gz ILVLRYSMJFUJCV-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO C[C@@H](NCCCNC(=O)C12CC[NH+](CC1)C2)c1cnccn1 ZINC001171293013 767588263 /nfs/dbraw/zinc/58/82/63/767588263.db2.gz CMNISKGVGFJDOE-CYBMUJFWSA-N 1 3 303.410 0.729 20 0 DCADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)N(C)C)C2)N(C)C ZINC001121798242 767637497 /nfs/dbraw/zinc/63/74/97/767637497.db2.gz JWHYCGOWOZPKID-XJIRZWNVSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC001122248895 767750803 /nfs/dbraw/zinc/75/08/03/767750803.db2.gz NSMSBEMZLGJNBU-OPFKTAGGSA-N 1 3 322.453 0.232 20 0 DCADHO C[NH+]1CCC(CN2CCN(Cc3cnc(N)nc3)CC2)CC1 ZINC001138169367 768401476 /nfs/dbraw/zinc/40/14/76/768401476.db2.gz DKAPMYVDSUDNHX-UHFFFAOYSA-N 1 3 304.442 0.518 20 0 DCADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@H]3CCC(=O)N3)C2)C1 ZINC001202833358 768420636 /nfs/dbraw/zinc/42/06/36/768420636.db2.gz VOJMGJSHXSFUJO-JFIYKMOQSA-N 1 3 321.465 0.945 20 0 DCADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C[C@H]3CCC(=O)N3)C2)C1 ZINC001202833358 768420640 /nfs/dbraw/zinc/42/06/40/768420640.db2.gz VOJMGJSHXSFUJO-JFIYKMOQSA-N 1 3 321.465 0.945 20 0 DCADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937870 768428009 /nfs/dbraw/zinc/42/80/09/768428009.db2.gz YRUYJXULFZVGCA-UMVBOHGHSA-N 1 3 324.469 0.147 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC001203004615 768513080 /nfs/dbraw/zinc/51/30/80/768513080.db2.gz DHYXVZZNOYTWAK-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203026754 768526324 /nfs/dbraw/zinc/52/63/24/768526324.db2.gz AUHXMOFSXSHUJC-OLZOCXBDSA-N 1 3 322.453 0.234 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001161227338 768702464 /nfs/dbraw/zinc/70/24/64/768702464.db2.gz ZMZGRXLHAYAUFG-UHFFFAOYSA-N 1 3 309.458 0.789 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCF)CCCO1)C1CC1 ZINC001149847379 768819650 /nfs/dbraw/zinc/81/96/50/768819650.db2.gz DPWXHNHJKMMCTI-HUUCEWRRSA-N 1 3 315.433 0.893 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1)C1CC1 ZINC001149847379 768819659 /nfs/dbraw/zinc/81/96/59/768819659.db2.gz DPWXHNHJKMMCTI-HUUCEWRRSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149854217 768885746 /nfs/dbraw/zinc/88/57/46/768885746.db2.gz IQPHSSSQSWZKQZ-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149854217 768885756 /nfs/dbraw/zinc/88/57/56/768885756.db2.gz IQPHSSSQSWZKQZ-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ccn(C)n1 ZINC001094219971 768886660 /nfs/dbraw/zinc/88/66/60/768886660.db2.gz YLXQLMLKYMNZDE-QLFBSQMISA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ccn(C)n1 ZINC001094219971 768886671 /nfs/dbraw/zinc/88/66/71/768886671.db2.gz YLXQLMLKYMNZDE-QLFBSQMISA-N 1 3 319.453 0.556 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150192911 769034248 /nfs/dbraw/zinc/03/42/48/769034248.db2.gz JVGPJKUEFJMTEL-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCCF)CCCO1 ZINC001150777378 769184776 /nfs/dbraw/zinc/18/47/76/769184776.db2.gz CWYBIFCPFRFZCA-CQSZACIVSA-N 1 3 303.422 0.893 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1 ZINC001150777378 769184782 /nfs/dbraw/zinc/18/47/82/769184782.db2.gz CWYBIFCPFRFZCA-CQSZACIVSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccco1 ZINC001151064679 769249393 /nfs/dbraw/zinc/24/93/93/769249393.db2.gz CYGHIEYMMGBLOF-QWHCGFSZSA-N 1 3 322.409 0.114 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccco1 ZINC001151064679 769249400 /nfs/dbraw/zinc/24/94/00/769249400.db2.gz CYGHIEYMMGBLOF-QWHCGFSZSA-N 1 3 322.409 0.114 20 0 DCADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066423 769251101 /nfs/dbraw/zinc/25/11/01/769251101.db2.gz UPAZQEFOINJBPP-AWEZNQCLSA-N 1 3 307.442 0.930 20 0 DCADHO Cc1nn(C(C)C)cc1CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066423 769251107 /nfs/dbraw/zinc/25/11/07/769251107.db2.gz UPAZQEFOINJBPP-AWEZNQCLSA-N 1 3 307.442 0.930 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073011 769252127 /nfs/dbraw/zinc/25/21/27/769252127.db2.gz CXCOSLQWEIQMFL-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073011 769252134 /nfs/dbraw/zinc/25/21/34/769252134.db2.gz CXCOSLQWEIQMFL-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1)c1cnccn1 ZINC001151157061 769279142 /nfs/dbraw/zinc/27/91/42/769279142.db2.gz JRTCJGXXTITZQX-UONOGXRCSA-N 1 3 321.425 0.212 20 0 DCADHO CCCCN1CCC([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231771170 769283073 /nfs/dbraw/zinc/28/30/73/769283073.db2.gz GQIGHUFZWJZGNR-UHFFFAOYSA-N 1 3 322.453 0.780 20 0 DCADHO CCCCN1CCC([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231771170 769283076 /nfs/dbraw/zinc/28/30/76/769283076.db2.gz GQIGHUFZWJZGNR-UHFFFAOYSA-N 1 3 322.453 0.780 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001171501035 769310991 /nfs/dbraw/zinc/31/09/91/769310991.db2.gz QADBLHQHHUSEKZ-UKRRQHHQSA-N 1 3 324.473 0.920 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001171508431 769312664 /nfs/dbraw/zinc/31/26/64/769312664.db2.gz DNVJPFNDDNNMAQ-ZIAGYGMSSA-N 1 3 314.474 0.679 20 0 DCADHO CCCN(C)CC(=O)NC1(CCOC)CC[NH+](CCO)CC1 ZINC001151402610 769331401 /nfs/dbraw/zinc/33/14/01/769331401.db2.gz MILOYNVVXJWUAI-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO c1cc(-c2noc(C3=NO[C@@H]4C[NH2+]C[C@H]34)n2)nc2c1CNCC2 ZINC001212628548 769386482 /nfs/dbraw/zinc/38/64/82/769386482.db2.gz CVHCFGYWQFVHBK-JOYOIKCWSA-N 1 3 312.333 0.100 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001152348574 769533198 /nfs/dbraw/zinc/53/31/98/769533198.db2.gz QDKCOKGWHHPJBX-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001152446057 769559925 /nfs/dbraw/zinc/55/99/25/769559925.db2.gz SDGCCQTXBOQFJR-OAHLLOKOSA-N 1 3 311.401 0.905 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001152470502 769570010 /nfs/dbraw/zinc/57/00/10/769570010.db2.gz CIUUOEINPHCBCC-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCc1ccnn1C)[NH+]1CCCC1 ZINC001152473664 769571000 /nfs/dbraw/zinc/57/10/00/769571000.db2.gz XSQXZYMWBWTEDU-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(N)=O ZINC001152480696 769574283 /nfs/dbraw/zinc/57/42/83/769574283.db2.gz ZOXOCXKZALDZBJ-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(N)=O ZINC001152480695 769575043 /nfs/dbraw/zinc/57/50/43/769575043.db2.gz ZOXOCXKZALDZBJ-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CCCCNCc1cn(C)nn1)NC(=O)CC[NH+](C)C ZINC001175049289 769854607 /nfs/dbraw/zinc/85/46/07/769854607.db2.gz SIZHDQJRYLRFIN-CYBMUJFWSA-N 1 3 310.446 0.531 20 0 DCADHO C[C@H](N)C[N@@H+]1C[C@@H]2COC[C@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001235530461 769877452 /nfs/dbraw/zinc/87/74/52/769877452.db2.gz NDZHMIPXXUIFPP-MXYBEHONSA-N 1 3 307.394 0.437 20 0 DCADHO C[C@H](N)C[N@H+]1C[C@@H]2COC[C@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001235530461 769877464 /nfs/dbraw/zinc/87/74/64/769877464.db2.gz NDZHMIPXXUIFPP-MXYBEHONSA-N 1 3 307.394 0.437 20 0 DCADHO C[C@@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001235573352 769896046 /nfs/dbraw/zinc/89/60/46/769896046.db2.gz HWHVNWYPGWILLF-OWTLIXCDSA-N 1 3 308.382 0.089 20 0 DCADHO C[C@@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001235573352 769896061 /nfs/dbraw/zinc/89/60/61/769896061.db2.gz HWHVNWYPGWILLF-OWTLIXCDSA-N 1 3 308.382 0.089 20 0 DCADHO C[C@H]([NH3+])CN1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001235629889 769918714 /nfs/dbraw/zinc/91/87/14/769918714.db2.gz VOVDSUDKLQNOHR-ZDUSSCGKSA-N 1 3 305.426 0.392 20 0 DCADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1CCN(C2CC[NH2+]CC2)CC1 ZINC001235699858 769934891 /nfs/dbraw/zinc/93/48/91/769934891.db2.gz SWPBHACYCLZSRV-DZGCQCFKSA-N 1 3 316.440 0.847 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC ZINC001175769628 769958772 /nfs/dbraw/zinc/95/87/72/769958772.db2.gz SJOAATCDOJNSGU-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)OC)CCCO1 ZINC001150546836 770000002 /nfs/dbraw/zinc/00/00/02/770000002.db2.gz JWHDZAXHCNZCIE-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)OC)CCCO1 ZINC001150546836 770000009 /nfs/dbraw/zinc/00/00/09/770000009.db2.gz JWHDZAXHCNZCIE-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO COC(=O)[C@@H]1CN(Cc2cc(F)cc(CN(C)C)c2)C[C@H]1[NH3+] ZINC001236359420 770007421 /nfs/dbraw/zinc/00/74/21/770007421.db2.gz VUVQDKLMNZHEMX-HUUCEWRRSA-N 1 3 309.385 0.819 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccn1 ZINC001238244247 770110427 /nfs/dbraw/zinc/11/04/27/770110427.db2.gz YXGPEEIEEBAPEQ-LBPRGKRZSA-N 1 3 310.423 0.234 20 0 DCADHO Cc1cccc2c1C1(C[C@H]2NS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238558643 770117869 /nfs/dbraw/zinc/11/78/69/770117869.db2.gz NYPXDRTZWCMDLI-CQSZACIVSA-N 1 3 323.462 0.939 20 0 DCADHO Cc1nnc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001176563322 770125834 /nfs/dbraw/zinc/12/58/34/770125834.db2.gz CKLLSVRVWIDNSY-GXTWGEPZSA-N 1 3 322.457 0.829 20 0 DCADHO Cc1nnc(CNCCCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001176563322 770125840 /nfs/dbraw/zinc/12/58/40/770125840.db2.gz CKLLSVRVWIDNSY-GXTWGEPZSA-N 1 3 322.457 0.829 20 0 DCADHO NCCS(=O)(=O)N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001238834947 770134315 /nfs/dbraw/zinc/13/43/15/770134315.db2.gz GKVPPUDWOYDBOU-AWEZNQCLSA-N 1 3 315.414 0.745 20 0 DCADHO CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)C(N)=O ZINC001176760241 770168450 /nfs/dbraw/zinc/16/84/50/770168450.db2.gz RWUXLUIPPOHGHG-UONOGXRCSA-N 1 3 314.474 0.855 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCNC1=O ZINC001176754651 770168511 /nfs/dbraw/zinc/16/85/11/770168511.db2.gz XMQNHPXUXXAXEX-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)O)CCCO1 ZINC001150625355 770171581 /nfs/dbraw/zinc/17/15/81/770171581.db2.gz LDKUFGWXPSQOET-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)O)CCCO1 ZINC001150625355 770171586 /nfs/dbraw/zinc/17/15/86/770171586.db2.gz LDKUFGWXPSQOET-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)CN(C)C(C)C)n1 ZINC001176971583 770263266 /nfs/dbraw/zinc/26/32/66/770263266.db2.gz DSEWFCJFGMBLJS-UHFFFAOYSA-N 1 3 311.430 0.747 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001176974808 770266220 /nfs/dbraw/zinc/26/62/20/770266220.db2.gz BIAYWSWCZLCCIV-CYBMUJFWSA-N 1 3 308.430 0.202 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986827 770273193 /nfs/dbraw/zinc/27/31/93/770273193.db2.gz WWKQOCUZLCDRFS-CQSZACIVSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237818 770446714 /nfs/dbraw/zinc/44/67/14/770446714.db2.gz LIASUMCAHVVWGL-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237818 770446722 /nfs/dbraw/zinc/44/67/22/770446722.db2.gz LIASUMCAHVVWGL-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001155821991 770629736 /nfs/dbraw/zinc/62/97/36/770629736.db2.gz FZVMHNFMRPMYBM-OCCSQVGLSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178355784 770730131 /nfs/dbraw/zinc/73/01/31/770730131.db2.gz CCQAVTHKIUATEU-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001178735935 770850654 /nfs/dbraw/zinc/85/06/54/770850654.db2.gz LFEMUXIUQGEJGQ-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178735935 770850666 /nfs/dbraw/zinc/85/06/66/770850666.db2.gz LFEMUXIUQGEJGQ-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO COCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001179179285 770954064 /nfs/dbraw/zinc/95/40/64/770954064.db2.gz PFUZDQGAKIJMCK-JOYVLCIYSA-N 1 3 323.437 0.075 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239217 770974054 /nfs/dbraw/zinc/97/40/54/770974054.db2.gz XCILLZWQMIJCBM-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179303746 770983990 /nfs/dbraw/zinc/98/39/90/770983990.db2.gz LTYMEJZOXLWCSA-ZQDZILKHSA-N 1 3 324.469 0.574 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)C1=O ZINC001179439658 771005930 /nfs/dbraw/zinc/00/59/30/771005930.db2.gz VNSZZXRNJSJCCS-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)C1=O ZINC001179439657 771005989 /nfs/dbraw/zinc/00/59/89/771005989.db2.gz VNSZZXRNJSJCCS-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1cnnn1C ZINC001179850303 771023294 /nfs/dbraw/zinc/02/32/94/771023294.db2.gz AILMTLIMBDRUEX-UHFFFAOYSA-N 1 3 324.473 0.923 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)COCC[NH+](C)C ZINC001179929425 771035836 /nfs/dbraw/zinc/03/58/36/771035836.db2.gz NEEIXBNZEFLPRA-ZFWWWQNUSA-N 1 3 323.441 0.077 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180135837 771060750 /nfs/dbraw/zinc/06/07/50/771060750.db2.gz LMWKRQVYFSZESP-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131576 771060823 /nfs/dbraw/zinc/06/08/23/771060823.db2.gz HCLLLNNIXGZQMD-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124805 771066386 /nfs/dbraw/zinc/06/63/86/771066386.db2.gz SZUDUYOXSOBTEN-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124805 771066388 /nfs/dbraw/zinc/06/63/88/771066388.db2.gz SZUDUYOXSOBTEN-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1cc(CNCCCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001180265563 771089238 /nfs/dbraw/zinc/08/92/38/771089238.db2.gz VUCOXILSSRSYSR-CQSZACIVSA-N 1 3 322.457 0.533 20 0 DCADHO Cn1cc(CNCCCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001180265563 771089239 /nfs/dbraw/zinc/08/92/39/771089239.db2.gz VUCOXILSSRSYSR-CQSZACIVSA-N 1 3 322.457 0.533 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181651737 771326857 /nfs/dbraw/zinc/32/68/57/771326857.db2.gz GBMMMLWLTZGLSU-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181735787 771346310 /nfs/dbraw/zinc/34/63/10/771346310.db2.gz BFEUXHFIBVOFJW-JKIFEVAISA-N 1 3 311.470 0.926 20 0 DCADHO CN1CCC(O)(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC001182034442 771392401 /nfs/dbraw/zinc/39/24/01/771392401.db2.gz VMSIMUJVFTVYSO-UHFFFAOYSA-N 1 3 305.422 0.821 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001182472824 771497295 /nfs/dbraw/zinc/49/72/95/771497295.db2.gz IMFXNMTZYXFPJB-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001182472824 771497296 /nfs/dbraw/zinc/49/72/96/771497296.db2.gz IMFXNMTZYXFPJB-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001182472833 771497450 /nfs/dbraw/zinc/49/74/50/771497450.db2.gz IMFXNMTZYXFPJB-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001182472833 771497453 /nfs/dbraw/zinc/49/74/53/771497453.db2.gz IMFXNMTZYXFPJB-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CCOc1ccc(C(=O)OC)c(NC(=N)NCCCC[NH3+])n1 ZINC001157096334 771533150 /nfs/dbraw/zinc/53/31/50/771533150.db2.gz HEAOMWDIEHKJSO-UHFFFAOYSA-N 1 3 309.370 0.942 20 0 DCADHO N=C(NCCCC[NH3+])Nc1ccc(C(=O)NC2CCCC2)nn1 ZINC001157099408 771533862 /nfs/dbraw/zinc/53/38/62/771533862.db2.gz PBTQKLQFFBMHOW-UHFFFAOYSA-N 1 3 319.413 0.824 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CC2CCC2)CC1 ZINC001157449347 771611358 /nfs/dbraw/zinc/61/13/58/771611358.db2.gz YODNVPYPSGALOG-ZDUSSCGKSA-N 1 3 311.426 0.777 20 0 DCADHO N[C@H]1CN(C(=O)C[C@H](O)[C@@H]([NH3+])CC2CCCCC2)C[C@H]1F ZINC001157538854 771628077 /nfs/dbraw/zinc/62/80/77/771628077.db2.gz UMHJTGFDCBNJCU-RFGFWPKPSA-N 1 3 301.406 0.543 20 0 DCADHO CC(C)[C@H](C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1)N(C)C ZINC001183361104 771638840 /nfs/dbraw/zinc/63/88/40/771638840.db2.gz ZUPGBZNPZWHCQH-GDBMZVCRSA-N 1 3 321.469 0.989 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+])N(C)C ZINC001183364841 771639517 /nfs/dbraw/zinc/63/95/17/771639517.db2.gz AWZYFCKSWXUPTG-RGCMKSIDSA-N 1 3 301.431 0.414 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001183516916 771654651 /nfs/dbraw/zinc/65/46/51/771654651.db2.gz FMEYNJIDIDTYIN-HLLBOEOZSA-N 1 3 311.470 0.927 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001157716804 771657921 /nfs/dbraw/zinc/65/79/21/771657921.db2.gz SUYKVTSMBANURN-HZPDHXFCSA-N 1 3 321.421 0.367 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001157717187 771658645 /nfs/dbraw/zinc/65/86/45/771658645.db2.gz YASLZMHNSDNCTH-ZNMIVQPWSA-N 1 3 304.394 0.179 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC001183773593 771699532 /nfs/dbraw/zinc/69/95/32/771699532.db2.gz QKGXGPFSERZXQE-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC001183773593 771699533 /nfs/dbraw/zinc/69/95/33/771699533.db2.gz QKGXGPFSERZXQE-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)NCCNCC(=O)N1CCCC1 ZINC001151361661 771707249 /nfs/dbraw/zinc/70/72/49/771707249.db2.gz MICCBOZMSDUDDF-UHFFFAOYSA-N 1 3 324.469 0.581 20 0 DCADHO CN(C)C(=O)C[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158073943 771722007 /nfs/dbraw/zinc/72/20/07/771722007.db2.gz UESCCNNLOBRABS-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160616 771731590 /nfs/dbraw/zinc/73/15/90/771731590.db2.gz LLJVPSYMKHKWRB-ZQIUZPCESA-N 1 3 324.469 0.609 20 0 DCADHO O=C([C@@H]1CNCc2ccnn2C1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160835 771731720 /nfs/dbraw/zinc/73/17/20/771731720.db2.gz MTAZXARAHPTTFT-CJNGLKHVSA-N 1 3 303.410 0.347 20 0 DCADHO O=C([C@H]1CNCc2ccnn2C1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168531 771733716 /nfs/dbraw/zinc/73/37/16/771733716.db2.gz HGVHMGOSRIHFHR-ZDUSSCGKSA-N 1 3 303.410 0.347 20 0 DCADHO O=C([C@@H]1CCC2(C[NH2+]C2)O1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327682 771760395 /nfs/dbraw/zinc/76/03/95/771760395.db2.gz MKGASRZSOSCPSL-XHSDSOJGSA-N 1 3 313.401 0.605 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc(CN(C)C)ccn1)CC2 ZINC001158643503 771800269 /nfs/dbraw/zinc/80/02/69/771800269.db2.gz VLRORMMCKWDBNT-PBHICJAKSA-N 1 3 318.421 0.875 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001185085137 771858536 /nfs/dbraw/zinc/85/85/36/771858536.db2.gz LXZXFHPSIKLXRT-OCCSQVGLSA-N 1 3 322.457 0.639 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC)C2)C1 ZINC001185090047 771860011 /nfs/dbraw/zinc/86/00/11/771860011.db2.gz IKERYDXOXKKCSF-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC)C2)C1 ZINC001185090047 771860014 /nfs/dbraw/zinc/86/00/14/771860014.db2.gz IKERYDXOXKKCSF-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185158241 771870829 /nfs/dbraw/zinc/87/08/29/771870829.db2.gz QGAMGJRNMPGFCA-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158241 771870836 /nfs/dbraw/zinc/87/08/36/771870836.db2.gz QGAMGJRNMPGFCA-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436709 771909498 /nfs/dbraw/zinc/90/94/98/771909498.db2.gz TVSLXRZHTJLXHH-LXTVHRRPSA-N 1 3 311.426 0.238 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1)[NH+](C)C ZINC001185455014 771918214 /nfs/dbraw/zinc/91/82/14/771918214.db2.gz IDLULAMHKBUWCI-NWANDNLSSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1)N(C)C ZINC001185716118 771948811 /nfs/dbraw/zinc/94/88/11/771948811.db2.gz PTKWMODPDGNDCX-AGIUHOORSA-N 1 3 319.396 0.941 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001159860661 771969236 /nfs/dbraw/zinc/96/92/36/771969236.db2.gz AUIBWZVZQLYNOV-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854969 771969305 /nfs/dbraw/zinc/96/93/05/771969305.db2.gz YAYFRCAUCSCOBI-UHFFFAOYSA-N 1 3 307.442 0.809 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)n1 ZINC001159917516 771977510 /nfs/dbraw/zinc/97/75/10/771977510.db2.gz YKHSHLINHWURAC-OAHLLOKOSA-N 1 3 322.457 0.331 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001160109525 771997868 /nfs/dbraw/zinc/99/78/68/771997868.db2.gz FLRVGXOMHLYCRK-WCFLWFBJSA-N 1 3 322.434 0.236 20 0 DCADHO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncc2c(n1)CCNC2 ZINC001160337582 772027041 /nfs/dbraw/zinc/02/70/41/772027041.db2.gz FSTHFUBGKPYDLJ-UHFFFAOYSA-N 1 3 307.361 0.829 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001160426888 772035811 /nfs/dbraw/zinc/03/58/11/772035811.db2.gz JZBGLYLTAODAMM-KBPBESRZSA-N 1 3 314.474 0.713 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160428299 772037000 /nfs/dbraw/zinc/03/70/00/772037000.db2.gz ZEGPIDLLGAQELW-AWEZNQCLSA-N 1 3 300.447 0.193 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H](C(C)C)[NH+](C)C)nn1C ZINC001160428272 772037181 /nfs/dbraw/zinc/03/71/81/772037181.db2.gz YKKIEVOBDWRBAA-HNNXBMFYSA-N 1 3 309.458 0.911 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCc2nc(C)no2)C1 ZINC001186486581 772045714 /nfs/dbraw/zinc/04/57/14/772045714.db2.gz BVKGHOVLRSNYAX-CQSZACIVSA-N 1 3 323.441 0.843 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H]1Cc1ccccn1 ZINC001160544165 772062042 /nfs/dbraw/zinc/06/20/42/772062042.db2.gz HLHBCXNTTUHZQP-CABCVRRESA-N 1 3 300.406 0.424 20 0 DCADHO N[C@H](C(=O)N1CCc2nc(Cl)ncc2C1)C1CC[NH2+]CC1 ZINC001160575551 772069875 /nfs/dbraw/zinc/06/98/75/772069875.db2.gz CHBBRXGRDYVLGV-LBPRGKRZSA-N 1 3 309.801 0.342 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001160631851 772080476 /nfs/dbraw/zinc/08/04/76/772080476.db2.gz VLMOIPYPQUHQTP-GUTXKFCHSA-N 1 3 305.422 0.973 20 0 DCADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160636808 772081711 /nfs/dbraw/zinc/08/17/11/772081711.db2.gz RNOSMKWQWCBFRJ-CZUORRHYSA-N 1 3 323.437 0.662 20 0 DCADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160636808 772081717 /nfs/dbraw/zinc/08/17/17/772081717.db2.gz RNOSMKWQWCBFRJ-CZUORRHYSA-N 1 3 323.437 0.662 20 0 DCADHO N[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C12CC3CC(CC(C3)C1)C2 ZINC001160655109 772088941 /nfs/dbraw/zinc/08/89/41/772088941.db2.gz GNHODAMMPWCZAI-BHYVMKKASA-N 1 3 307.438 0.451 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1Cc2cc(Br)cnc2C1 ZINC001160663353 772090571 /nfs/dbraw/zinc/09/05/71/772090571.db2.gz DKDPTUDJWBVOKZ-JTQLQIEISA-N 1 3 313.199 0.753 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@H]1c1nccs1 ZINC001160685896 772093696 /nfs/dbraw/zinc/09/36/96/772093696.db2.gz IXDLHFMQHQQQRD-UWVGGRQHSA-N 1 3 300.453 0.826 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160703348 772099681 /nfs/dbraw/zinc/09/96/81/772099681.db2.gz BYWSTHBNDQGMSL-BBWFWOEESA-N 1 3 317.433 0.811 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160703348 772099685 /nfs/dbraw/zinc/09/96/85/772099685.db2.gz BYWSTHBNDQGMSL-BBWFWOEESA-N 1 3 317.433 0.811 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705842 772100236 /nfs/dbraw/zinc/10/02/36/772100236.db2.gz SUMXCUWWLLTIKS-WDEREUQCSA-N 1 3 311.348 0.835 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001187291565 772161611 /nfs/dbraw/zinc/16/16/11/772161611.db2.gz VARXTTXMVOSMSE-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)Cc1ccccc1 ZINC001161161439 772179204 /nfs/dbraw/zinc/17/92/04/772179204.db2.gz TVOXODHOIOSICD-FUHWJXTLSA-N 1 3 316.449 0.528 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC2=CC[N@H+](CCCO)CC2)C1 ZINC001161207016 772184946 /nfs/dbraw/zinc/18/49/46/772184946.db2.gz OYEPKJKTBQPHKD-HNNXBMFYSA-N 1 3 309.454 0.849 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC2=CC[N@@H+](CCCO)CC2)C1 ZINC001161207016 772184949 /nfs/dbraw/zinc/18/49/49/772184949.db2.gz OYEPKJKTBQPHKD-HNNXBMFYSA-N 1 3 309.454 0.849 20 0 DCADHO C[C@H]1CN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C[C@H](C)N1 ZINC001161230970 772187278 /nfs/dbraw/zinc/18/72/78/772187278.db2.gz AIMRJQYYRYXIIR-QWRGUYRKSA-N 1 3 309.439 0.375 20 0 DCADHO N[C@H](C(=O)N1CCCN(c2cccnc2)CC1)C1CC[NH2+]CC1 ZINC001161240408 772189472 /nfs/dbraw/zinc/18/94/72/772189472.db2.gz ZYMAIYZJWNQFOG-INIZCTEOSA-N 1 3 317.437 0.447 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001161251510 772191250 /nfs/dbraw/zinc/19/12/50/772191250.db2.gz QSFSTQYFCCRFIQ-UHFFFAOYSA-N 1 3 322.453 0.712 20 0 DCADHO Cc1cccnc1O[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161396108 772217088 /nfs/dbraw/zinc/21/70/88/772217088.db2.gz ZOAWNMAJMLQXEK-ZIAGYGMSSA-N 1 3 316.405 0.179 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414040 772219326 /nfs/dbraw/zinc/21/93/26/772219326.db2.gz SKJVCUKSOPXBHW-UMSGYPCISA-N 1 3 311.426 0.631 20 0 DCADHO O=C([C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2)N1CCNC1 ZINC001161418910 772220698 /nfs/dbraw/zinc/22/06/98/772220698.db2.gz UWIYLCWXGQQEKB-OAHLLOKOSA-N 1 3 300.406 0.097 20 0 DCADHO CN(C)CCN(C(=O)[C@@H]1CCC(F)(F)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161444144 772224498 /nfs/dbraw/zinc/22/44/98/772224498.db2.gz CQLWSJJIEXQNOE-OLZOCXBDSA-N 1 3 318.412 0.516 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001187825204 772231398 /nfs/dbraw/zinc/23/13/98/772231398.db2.gz FWYGQBZAVUABSG-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001187825204 772231402 /nfs/dbraw/zinc/23/14/02/772231402.db2.gz FWYGQBZAVUABSG-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001187841974 772233015 /nfs/dbraw/zinc/23/30/15/772233015.db2.gz HOTMOVJPGQBFBZ-CQSZACIVSA-N 1 3 321.425 0.597 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842858 772233039 /nfs/dbraw/zinc/23/30/39/772233039.db2.gz QNGWNDOLTAJSML-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC(C)(C)C ZINC001187843216 772233213 /nfs/dbraw/zinc/23/32/13/772233213.db2.gz XSALMSMWQFFMMC-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC2(C1)CN(C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1)C2 ZINC001161532841 772240320 /nfs/dbraw/zinc/24/03/20/772240320.db2.gz YJQOIJMUUOGMNZ-AWEZNQCLSA-N 1 3 317.389 0.221 20 0 DCADHO COc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161546811 772243059 /nfs/dbraw/zinc/24/30/59/772243059.db2.gz DJIYGMQMOQBWCD-HNNXBMFYSA-N 1 3 301.390 0.846 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccn(C(F)F)c1=O ZINC001188534602 772320175 /nfs/dbraw/zinc/32/01/75/772320175.db2.gz DTFZRJMLRPJPOY-UHFFFAOYSA-N 1 3 301.297 0.318 20 0 DCADHO COCCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389364 772462924 /nfs/dbraw/zinc/46/29/24/772462924.db2.gz JMRIUPRTOOAKEM-HUUCEWRRSA-N 1 3 313.442 0.276 20 0 DCADHO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389364 772462925 /nfs/dbraw/zinc/46/29/25/772462925.db2.gz JMRIUPRTOOAKEM-HUUCEWRRSA-N 1 3 313.442 0.276 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cncc(-n2ccnc2)n1 ZINC001163128950 772468864 /nfs/dbraw/zinc/46/88/64/772468864.db2.gz QVSXSTCCBLQQGU-UHFFFAOYSA-N 1 3 302.386 0.940 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccnn2C)CC1 ZINC001163821267 772577239 /nfs/dbraw/zinc/57/72/39/772577239.db2.gz MJPSMOWJLDPDTE-HNNXBMFYSA-N 1 3 319.453 0.890 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163821121 772577570 /nfs/dbraw/zinc/57/75/70/772577570.db2.gz KWQWHUSUZJYZRM-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)C1(CNc2ncnc3c2CN(C)CC3)CC[NH+](C)CC1 ZINC001164211550 772626369 /nfs/dbraw/zinc/62/63/69/772626369.db2.gz PVBFPBNBUDVIGF-UHFFFAOYSA-N 1 3 318.469 0.902 20 0 DCADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC001165485537 772742793 /nfs/dbraw/zinc/74/27/93/772742793.db2.gz YPHZXTIJNXFZST-KBPBESRZSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001165718013 772757894 /nfs/dbraw/zinc/75/78/94/772757894.db2.gz DJXXJYRXANNCAO-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nnsc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627111 772830926 /nfs/dbraw/zinc/83/09/26/772830926.db2.gz QDCMBNDYZRZMHQ-LLVKDONJSA-N 1 3 311.455 0.927 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166627620 772831351 /nfs/dbraw/zinc/83/13/51/772831351.db2.gz XPTAQRDYTYDNSB-CQSZACIVSA-N 1 3 319.453 0.910 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166627620 772831356 /nfs/dbraw/zinc/83/13/56/772831356.db2.gz XPTAQRDYTYDNSB-CQSZACIVSA-N 1 3 319.453 0.910 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166708285 772845721 /nfs/dbraw/zinc/84/57/21/772845721.db2.gz OAKFYMFBTORNGV-UONOGXRCSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708285 772845723 /nfs/dbraw/zinc/84/57/23/772845723.db2.gz OAKFYMFBTORNGV-UONOGXRCSA-N 1 3 307.442 0.697 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001166737006 772854385 /nfs/dbraw/zinc/85/43/85/772854385.db2.gz YDYZDFNZOHCFRX-UHFFFAOYSA-N 1 3 308.430 0.106 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C(=O)NC1CC1 ZINC001166744247 772855837 /nfs/dbraw/zinc/85/58/37/772855837.db2.gz NKKHDDYEWMORRC-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764478 772857197 /nfs/dbraw/zinc/85/71/97/772857197.db2.gz GGBHBKFUWDNUSD-UHFFFAOYSA-N 1 3 315.458 0.477 20 0 DCADHO CN(CCO[C@@H]1CC1(F)F)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169650 772878545 /nfs/dbraw/zinc/87/85/45/772878545.db2.gz BVYBVQQKMZJDTK-QWHCGFSZSA-N 1 3 319.396 0.895 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001203460402 772906593 /nfs/dbraw/zinc/90/65/93/772906593.db2.gz PYIPSHMZHHCGFB-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275228 773061802 /nfs/dbraw/zinc/06/18/02/773061802.db2.gz QCORRTYJABAXIL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCN(c2ccccc2CN2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206525111 773084309 /nfs/dbraw/zinc/08/43/09/773084309.db2.gz GTCNWNWCETYNQM-RDJZCZTQSA-N 1 3 304.438 0.190 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001193643023 773093504 /nfs/dbraw/zinc/09/35/04/773093504.db2.gz PMZUTKWGFFFJRW-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001193643023 773093507 /nfs/dbraw/zinc/09/35/07/773093507.db2.gz PMZUTKWGFFFJRW-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC001206953303 773146965 /nfs/dbraw/zinc/14/69/65/773146965.db2.gz APDIEPVMNXYZAH-UHFFFAOYSA-N 1 3 322.457 0.484 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954295 773147219 /nfs/dbraw/zinc/14/72/19/773147219.db2.gz CNKDXULJBVSTAY-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC(=O)NCc1nnn2c1CN(CC1CC[NH2+]CC1)CCC2 ZINC001207435089 773206243 /nfs/dbraw/zinc/20/62/43/773206243.db2.gz GJESNAVFUQVWJZ-UHFFFAOYSA-N 1 3 306.414 0.120 20 0 DCADHO CN(C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001207685079 773268769 /nfs/dbraw/zinc/26/87/69/773268769.db2.gz WFQIYYUBWUQIOK-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328590 773433961 /nfs/dbraw/zinc/43/39/61/773433961.db2.gz GDCGCZRGZYGZFX-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cc(F)c(CO)c(F)c1 ZINC001195632133 773448462 /nfs/dbraw/zinc/44/84/62/773448462.db2.gz VEVZTFKSUZQCJF-UHFFFAOYSA-N 1 3 300.309 0.532 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491212 773477292 /nfs/dbraw/zinc/47/72/92/773477292.db2.gz BZAKWGSQKLGSAG-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O ZINC001195860012 773486195 /nfs/dbraw/zinc/48/61/95/773486195.db2.gz RPTYQGXKFVPJNF-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+](C)C1(CC(=O)N2CCC[C@H](NCC(N)=O)C2)CCCC1 ZINC001208767537 773527427 /nfs/dbraw/zinc/52/74/27/773527427.db2.gz AMRCOYLJWYIQRW-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CCn2cncn2)c1 ZINC001152245469 773527420 /nfs/dbraw/zinc/52/74/20/773527420.db2.gz HDNZSUVEPGZFOB-UHFFFAOYSA-N 1 3 316.409 0.359 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC)C2)C1 ZINC001209206353 773569557 /nfs/dbraw/zinc/56/95/57/773569557.db2.gz ZXCXREPIFOBFDS-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC)C2)C1 ZINC001209206353 773569563 /nfs/dbraw/zinc/56/95/63/773569563.db2.gz ZXCXREPIFOBFDS-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304547 773588032 /nfs/dbraw/zinc/58/80/32/773588032.db2.gz QVJUHSNODUZQJI-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CC[C@H](N[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001209305216 773588215 /nfs/dbraw/zinc/58/82/15/773588215.db2.gz WMPQRZJYLUTEID-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314867 773589909 /nfs/dbraw/zinc/58/99/09/773589909.db2.gz MANAAZVOVDNBKR-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001209668517 773632443 /nfs/dbraw/zinc/63/24/43/773632443.db2.gz DDRMRMMGPMGPMY-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001209669633 773632483 /nfs/dbraw/zinc/63/24/83/773632483.db2.gz RBHQVEWIKYFETG-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209668537 773632607 /nfs/dbraw/zinc/63/26/07/773632607.db2.gz DVGIDXUPKZGNRL-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001209837697 773652531 /nfs/dbraw/zinc/65/25/31/773652531.db2.gz RFACRIWKWOCPBA-ZDUSSCGKSA-N 1 3 319.409 0.059 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001210744613 773734492 /nfs/dbraw/zinc/73/44/92/773734492.db2.gz SIUFRNDSAHGMKU-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001210782118 773736250 /nfs/dbraw/zinc/73/62/50/773736250.db2.gz ISVXMFNEFKJYKW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001210782104 773736538 /nfs/dbraw/zinc/73/65/38/773736538.db2.gz IOOWVYBLKREKQO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001210782104 773736541 /nfs/dbraw/zinc/73/65/41/773736541.db2.gz IOOWVYBLKREKQO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001210781936 773736756 /nfs/dbraw/zinc/73/67/56/773736756.db2.gz GGXBHSKAZUMUHG-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001210782384 773736794 /nfs/dbraw/zinc/73/67/94/773736794.db2.gz MGVJKTSXXAEFPO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001210782384 773736797 /nfs/dbraw/zinc/73/67/97/773736797.db2.gz MGVJKTSXXAEFPO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262347 773787346 /nfs/dbraw/zinc/78/73/46/773787346.db2.gz PAOVIUSAHSOTLJ-ZBFHGGJFSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947942 773826478 /nfs/dbraw/zinc/82/64/78/773826478.db2.gz ADSJHUWYXHRUPH-MGPQQGTHSA-N 1 3 303.422 0.628 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1 ZINC001214779841 774013960 /nfs/dbraw/zinc/01/39/60/774013960.db2.gz AHTWSXMLANBIFC-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1 ZINC001214779841 774013963 /nfs/dbraw/zinc/01/39/63/774013963.db2.gz AHTWSXMLANBIFC-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845431 774018706 /nfs/dbraw/zinc/01/87/06/774018706.db2.gz UGQNOYWPUAHAIC-QLFBSQMISA-N 1 3 324.469 0.147 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845431 774018711 /nfs/dbraw/zinc/01/87/11/774018711.db2.gz UGQNOYWPUAHAIC-QLFBSQMISA-N 1 3 324.469 0.147 20 0 DCADHO COCCOc1ccncc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001199235631 774064706 /nfs/dbraw/zinc/06/47/06/774064706.db2.gz RMKFCGCPXILSPU-UHFFFAOYSA-N 1 3 309.370 0.181 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397040 774069579 /nfs/dbraw/zinc/06/95/79/774069579.db2.gz PPZPHTSGHTZUBJ-CBBWQLFWSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397040 774069586 /nfs/dbraw/zinc/06/95/86/774069586.db2.gz PPZPHTSGHTZUBJ-CBBWQLFWSA-N 1 3 324.469 0.289 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cncc(OC(F)F)c1 ZINC001199297438 774078828 /nfs/dbraw/zinc/07/88/28/774078828.db2.gz AJQAKNGVUGXFLB-UHFFFAOYSA-N 1 3 301.297 0.758 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536383 774081613 /nfs/dbraw/zinc/08/16/13/774081613.db2.gz PILKIMIUJXHSIC-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215539899 774081751 /nfs/dbraw/zinc/08/17/51/774081751.db2.gz BXQUDHZUWYRJFK-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536197 774081759 /nfs/dbraw/zinc/08/17/59/774081759.db2.gz METFHDRJJXIBLM-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(N)=O ZINC001215563433 774082637 /nfs/dbraw/zinc/08/26/37/774082637.db2.gz GELNSOHRYWJSMJ-JHJVBQTASA-N 1 3 312.458 0.275 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551405 774082770 /nfs/dbraw/zinc/08/27/70/774082770.db2.gz QPFAWYCOYAHMCH-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001215999233 774098452 /nfs/dbraw/zinc/09/84/52/774098452.db2.gz WDPASFPMBOIAIH-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001216213280 774109011 /nfs/dbraw/zinc/10/90/11/774109011.db2.gz KXCULJXKLYBAJQ-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001216213280 774109015 /nfs/dbraw/zinc/10/90/15/774109015.db2.gz KXCULJXKLYBAJQ-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1N[C@@H]1CCNC1=O ZINC001216465022 774118035 /nfs/dbraw/zinc/11/80/35/774118035.db2.gz WTBJAIDDIHXHMO-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001216503102 774120057 /nfs/dbraw/zinc/12/00/57/774120057.db2.gz MNBFRSMWTXELFE-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216511588 774120701 /nfs/dbraw/zinc/12/07/01/774120701.db2.gz VQRZLXYQMZIVEZ-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001216511355 774120712 /nfs/dbraw/zinc/12/07/12/774120712.db2.gz OZFRDKACENJGGS-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001216852254 774143659 /nfs/dbraw/zinc/14/36/59/774143659.db2.gz SUTPRASOOZOEAO-MGPQQGTHSA-N 1 3 312.458 0.240 20 0 DCADHO C[C@H]1C[C@@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)CC[NH2+]1 ZINC001218052224 774210928 /nfs/dbraw/zinc/21/09/28/774210928.db2.gz KBUSHHQMYKOUGU-UBHSHLNASA-N 1 3 321.421 0.870 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001218099836 774211795 /nfs/dbraw/zinc/21/17/95/774211795.db2.gz JKBVSCIYQORABH-STQMWFEESA-N 1 3 307.419 0.268 20 0 DCADHO CO[C@@H]1CC[N@H+](CCOc2ccc(C[C@H](N)C(N)=O)cc2)C1 ZINC001218390524 774223441 /nfs/dbraw/zinc/22/34/41/774223441.db2.gz LHYUDFZOXSBFNI-CABCVRRESA-N 1 3 307.394 0.141 20 0 DCADHO CO[C@@H]1CC[N@@H+](CCOc2ccc(C[C@H](N)C(N)=O)cc2)C1 ZINC001218390524 774223444 /nfs/dbraw/zinc/22/34/44/774223444.db2.gz LHYUDFZOXSBFNI-CABCVRRESA-N 1 3 307.394 0.141 20 0 DCADHO CO[C@@H]1CCN[C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)C1 ZINC001218532444 774239336 /nfs/dbraw/zinc/23/93/36/774239336.db2.gz FLXRXXLEUZYLSC-KKZNHRDASA-N 1 3 310.423 0.665 20 0 DCADHO N[C@H](C(=O)Nc1nc2c(s1)C(=O)CCC2)C1CC[NH2+]CC1 ZINC001218535770 774240481 /nfs/dbraw/zinc/24/04/81/774240481.db2.gz SFBBRJWZEZDOTH-NSHDSACASA-N 1 3 308.407 0.928 20 0 DCADHO Cc1sc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(C(N)=O)c1C ZINC001218549479 774243775 /nfs/dbraw/zinc/24/37/75/774243775.db2.gz XFVUKSHNXKEQAW-VIFPVBQESA-N 1 3 308.407 0.211 20 0 DCADHO O=C(Nc1cnc2ccc(Cl)nn12)[C@@H]1C[NH2+]CC12CNC2 ZINC001218567387 774249840 /nfs/dbraw/zinc/24/98/40/774249840.db2.gz DXDKGBMGOXLVNW-QMMMGPOBSA-N 1 3 306.757 0.130 20 0 DCADHO Nc1cccnc1N(C(=O)[C@H]1CNC[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001218694705 774281695 /nfs/dbraw/zinc/28/16/95/774281695.db2.gz CXTSQUNIODIRMB-NEPJUHHUSA-N 1 3 321.400 0.696 20 0 DCADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218743608 774294032 /nfs/dbraw/zinc/29/40/32/774294032.db2.gz VGPAMRFVUJCICD-VIFPVBQESA-N 1 3 314.821 0.349 20 0 DCADHO O=C(Nc1cc(Cl)nc2ccnn21)[C@H]1C[NH2+]CC12CNC2 ZINC001218745951 774295247 /nfs/dbraw/zinc/29/52/47/774295247.db2.gz SPHNTENNVKEUOB-MRVPVSSYSA-N 1 3 306.757 0.130 20 0 DCADHO O=C(Nc1cc(Cl)nc2ccnn21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218745952 774295269 /nfs/dbraw/zinc/29/52/69/774295269.db2.gz SPHNTENNVKEUOB-QMMMGPOBSA-N 1 3 306.757 0.130 20 0 DCADHO O=C(Nc1ccnn1CC(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001218751108 774296976 /nfs/dbraw/zinc/29/69/76/774296976.db2.gz BIIUDTZQEZSWCW-MRVPVSSYSA-N 1 3 303.288 0.193 20 0 DCADHO N[C@H](C(=O)Nc1cncnc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218765107 774299971 /nfs/dbraw/zinc/29/99/71/774299971.db2.gz WVTMEZWTYBBTOS-VIFPVBQESA-N 1 3 303.288 0.761 20 0 DCADHO N[C@@H](C(=O)Nc1nnccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218800079 774304821 /nfs/dbraw/zinc/30/48/21/774304821.db2.gz GOFUGMCAUHHOSV-SECBINFHSA-N 1 3 303.288 0.761 20 0 DCADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](N)CC[NH3+])cc2)CC1 ZINC001218845604 774314161 /nfs/dbraw/zinc/31/41/61/774314161.db2.gz FJYJPQVMSMUFGW-INIZCTEOSA-N 1 3 319.453 0.439 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCCOC)C[C@@H]21 ZINC001218904543 774323876 /nfs/dbraw/zinc/32/38/76/774323876.db2.gz HQSUZTOHKBMFDL-LSDHHAIUSA-N 1 3 313.442 0.276 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(CCCOC)C[C@@H]21 ZINC001218904543 774323884 /nfs/dbraw/zinc/32/38/84/774323884.db2.gz HQSUZTOHKBMFDL-LSDHHAIUSA-N 1 3 313.442 0.276 20 0 DCADHO O=C(Nc1ccc(-c2ccncn2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218977014 774338442 /nfs/dbraw/zinc/33/84/42/774338442.db2.gz HAKJTUVDEZEXPL-CQSZACIVSA-N 1 3 309.373 0.891 20 0 DCADHO O[C@@H]1CCN(CCNC(=S)NCC[NH+]2CCCCC2)C1 ZINC001200443424 774343335 /nfs/dbraw/zinc/34/33/35/774343335.db2.gz XARXGQCDAWOXCP-CYBMUJFWSA-N 1 3 300.472 0.003 20 0 DCADHO Nc1nc2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ccc2s1 ZINC001219245360 774421942 /nfs/dbraw/zinc/42/19/42/774421942.db2.gz IGNUXKAROHNIES-SECBINFHSA-N 1 3 303.391 0.626 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201067038 774441470 /nfs/dbraw/zinc/44/14/70/774441470.db2.gz VUUVUETYPQGWSW-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO CN1Cc2cccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)c2C1=O ZINC001219362752 774464980 /nfs/dbraw/zinc/46/49/80/774464980.db2.gz VGOZNYFBJGRDRI-NSHDSACASA-N 1 3 300.362 0.020 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001201321659 774487568 /nfs/dbraw/zinc/48/75/68/774487568.db2.gz SNJKAQTTZPKIOC-CYBMUJFWSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(Nc1ccc2c[nH]nc2c1Cl)[C@H]1C[NH2+]CC12CNC2 ZINC001219441502 774495003 /nfs/dbraw/zinc/49/50/03/774495003.db2.gz HSTMRPSLMISKDW-SECBINFHSA-N 1 3 305.769 0.964 20 0 DCADHO CC1(c2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2)COC1 ZINC001219488972 774512900 /nfs/dbraw/zinc/51/29/00/774512900.db2.gz DJGVLYMNLWJSMA-CQSZACIVSA-N 1 3 301.390 0.722 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219532593 774526456 /nfs/dbraw/zinc/52/64/56/774526456.db2.gz AULZTSYJRSWURH-SUNKGSAMSA-N 1 3 313.361 0.366 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219532593 774526458 /nfs/dbraw/zinc/52/64/58/774526458.db2.gz AULZTSYJRSWURH-SUNKGSAMSA-N 1 3 313.361 0.366 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219532595 774527180 /nfs/dbraw/zinc/52/71/80/774527180.db2.gz AULZTSYJRSWURH-WDMOLILDSA-N 1 3 313.361 0.366 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219532595 774527182 /nfs/dbraw/zinc/52/71/82/774527182.db2.gz AULZTSYJRSWURH-WDMOLILDSA-N 1 3 313.361 0.366 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001219609741 774555987 /nfs/dbraw/zinc/55/59/87/774555987.db2.gz CTGNPYVHDKUYDD-CYZMBNFOSA-N 1 3 321.343 0.556 20 0 DCADHO Cn1c(CNC(=O)[C@@H](N)CSCC[NH3+])ccc1C(F)(F)F ZINC001219699120 774584070 /nfs/dbraw/zinc/58/40/70/774584070.db2.gz SAHLQZAXAOCNGL-VIFPVBQESA-N 1 3 324.372 0.679 20 0 DCADHO Cc1ccn2c(CNC(=O)[C@@H](N)CSCC[NH3+])cnc2c1 ZINC001219709975 774587811 /nfs/dbraw/zinc/58/78/11/774587811.db2.gz VMCLTOBDGYNUSU-LBPRGKRZSA-N 1 3 307.423 0.278 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737087 774594087 /nfs/dbraw/zinc/59/40/87/774594087.db2.gz OLJDICFEKGUASJ-HOCLYGCPSA-N 1 3 321.396 0.580 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769201 774601624 /nfs/dbraw/zinc/60/16/24/774601624.db2.gz UIJUCKALRVVTPC-DOTOQJQBSA-N 1 3 323.412 0.999 20 0 DCADHO N[C@H](C(=O)NC[C@@]1(F)CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC001219767885 774601921 /nfs/dbraw/zinc/60/19/21/774601921.db2.gz HKBIQYQBZIAFEK-DOTOQJQBSA-N 1 3 305.397 0.937 20 0 DCADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001219775420 774603776 /nfs/dbraw/zinc/60/37/76/774603776.db2.gz LMUYOACCVBDCKH-GUYCJALGSA-N 1 3 307.438 0.794 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219784909 774606599 /nfs/dbraw/zinc/60/65/99/774606599.db2.gz UUJZKDLFBPQGJT-IUODEOHRSA-N 1 3 316.409 0.007 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)c(C)c1 ZINC001219812633 774617118 /nfs/dbraw/zinc/61/71/18/774617118.db2.gz FOWUZPUCGWMADJ-BQFCYCMXSA-N 1 3 317.433 0.525 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816234 774618990 /nfs/dbraw/zinc/61/89/90/774618990.db2.gz FLELYZINBSLBSI-NFAWXSAZSA-N 1 3 305.378 0.486 20 0 DCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831828 774623105 /nfs/dbraw/zinc/62/31/05/774623105.db2.gz ZMBMKWUXWVLYMZ-TWMKSMIVSA-N 1 3 315.417 0.584 20 0 DCADHO CCc1nnc([C@@H](C)NC2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001202331010 774637830 /nfs/dbraw/zinc/63/78/30/774637830.db2.gz NISIEPLHZBUIAS-GFCCVEGCSA-N 1 3 322.457 0.960 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219925564 774648537 /nfs/dbraw/zinc/64/85/37/774648537.db2.gz ORMFFUSFIBFSQD-CABCVRRESA-N 1 3 315.417 0.981 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219925564 774648539 /nfs/dbraw/zinc/64/85/39/774648539.db2.gz ORMFFUSFIBFSQD-CABCVRRESA-N 1 3 315.417 0.981 20 0 DCADHO COc1ccc(O[C@@H](C)CNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001219945784 774654148 /nfs/dbraw/zinc/65/41/48/774654148.db2.gz SQFDIAOYVRDFEF-WFASDCNBSA-N 1 3 319.405 0.388 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NCCc1nc(-c2ccccc2)no1 ZINC001219950444 774654982 /nfs/dbraw/zinc/65/49/82/774654982.db2.gz WNNWFJQXWMPJLK-LBPRGKRZSA-N 1 3 303.366 0.462 20 0 DCADHO N[C@@H](C(=O)NC1(C(F)(F)F)CCOCC1)C1CC[NH2+]CC1 ZINC001220157168 774712846 /nfs/dbraw/zinc/71/28/46/774712846.db2.gz ZBUWBLJDALQGKV-SNVBAGLBSA-N 1 3 309.332 0.541 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220162099 774715203 /nfs/dbraw/zinc/71/52/03/774715203.db2.gz HKBCAVFAHKAWPN-ZQIUZPCESA-N 1 3 324.469 0.515 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202496134 774724474 /nfs/dbraw/zinc/72/44/74/774724474.db2.gz OQRIKDBEBIXSAS-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CCOC(CCNC(=O)[C@@H](N)CCCC[NH+](C)C)OCC ZINC001220230768 774741056 /nfs/dbraw/zinc/74/10/56/774741056.db2.gz PAGYUZJDRIIVLD-ZDUSSCGKSA-N 1 3 303.447 0.951 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1COC(C)(C)OC1 ZINC001220270634 774750487 /nfs/dbraw/zinc/75/04/87/774750487.db2.gz ATDKBVHKKIIPHE-ZDUSSCGKSA-N 1 3 301.431 0.750 20 0 DCADHO N[C@H]1C[NH2+][C@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC001220276600 774754564 /nfs/dbraw/zinc/75/45/64/774754564.db2.gz MYEQMJBWYOMSHK-MFKMUULPSA-N 1 3 321.812 0.954 20 0 DCADHO C[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220352787 774781449 /nfs/dbraw/zinc/78/14/49/774781449.db2.gz FGICBYZEHHJGEF-SNPRPXQTSA-N 1 3 319.405 0.909 20 0 DCADHO CCOC(=O)C1(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCC1 ZINC001220371299 774783652 /nfs/dbraw/zinc/78/36/52/774783652.db2.gz RXCYFZPFHHKDFI-MLGOLLRUSA-N 1 3 309.410 0.035 20 0 DCADHO COc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(F)c1 ZINC001220391278 774792328 /nfs/dbraw/zinc/79/23/28/774792328.db2.gz CVMGZZRUDDUUTC-GWCFXTLKSA-N 1 3 307.369 0.821 20 0 DCADHO O=C(NCc1cccnc1N1CCCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220398810 774795487 /nfs/dbraw/zinc/79/54/87/774795487.db2.gz NOMYZXCQQXAMMA-CQSZACIVSA-N 1 3 315.421 0.107 20 0 DCADHO CSc1ccc(OCCNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001220422698 774802102 /nfs/dbraw/zinc/80/21/02/774802102.db2.gz KNZYKBNNPZJXGI-CQSZACIVSA-N 1 3 321.446 0.713 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCOC)C[C@H]21 ZINC001114368431 774817114 /nfs/dbraw/zinc/81/71/14/774817114.db2.gz LRXZSBMFTCNYDL-QXSJWSMHSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCOC)C[C@H]21 ZINC001114368431 774817119 /nfs/dbraw/zinc/81/71/19/774817119.db2.gz LRXZSBMFTCNYDL-QXSJWSMHSA-N 1 3 309.454 0.944 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C23CCC([NH3+])(CC2)CC3)CCNC1 ZINC001220523041 774835711 /nfs/dbraw/zinc/83/57/11/774835711.db2.gz IJXBWEIRYHJIKY-UHFFFAOYSA-N 1 3 321.421 0.965 20 0 DCADHO CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220567662 774845581 /nfs/dbraw/zinc/84/55/81/774845581.db2.gz IOQDIODIYYPBOP-KBPBESRZSA-N 1 3 322.409 0.128 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114409700 774847295 /nfs/dbraw/zinc/84/72/95/774847295.db2.gz POVKGVDVSUMGTP-JJXSEGSLSA-N 1 3 309.454 0.800 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114409700 774847299 /nfs/dbraw/zinc/84/72/99/774847299.db2.gz POVKGVDVSUMGTP-JJXSEGSLSA-N 1 3 309.454 0.800 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCC(F)(F)c1ccccn1 ZINC001220570867 774848077 /nfs/dbraw/zinc/84/80/77/774848077.db2.gz BSJVOBIRCBYFDB-VIFPVBQESA-N 1 3 304.366 0.309 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414095 774850836 /nfs/dbraw/zinc/85/08/36/774850836.db2.gz MQPXZQZNVZLMTM-QLPKVWCKSA-N 1 3 309.454 0.944 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414095 774850846 /nfs/dbraw/zinc/85/08/46/774850846.db2.gz MQPXZQZNVZLMTM-QLPKVWCKSA-N 1 3 309.454 0.944 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611354 774863551 /nfs/dbraw/zinc/86/35/51/774863551.db2.gz WNZXEFPHSYNZEA-QWRGUYRKSA-N 1 3 316.199 0.539 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1)N(C)C ZINC001202531740 774886277 /nfs/dbraw/zinc/88/62/77/774886277.db2.gz NCBPKNSAKOLBJF-JSGCOSHPSA-N 1 3 312.458 0.384 20 0 DCADHO NC(C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)C(F)(F)F ZINC001220789043 774915473 /nfs/dbraw/zinc/91/54/73/774915473.db2.gz ITNKIZIXEVGBBO-OUAUKWLOSA-N 1 3 302.300 0.738 20 0 DCADHO N[C@H](C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)C1CCOCC1 ZINC001220791310 774916600 /nfs/dbraw/zinc/91/66/00/774916600.db2.gz XQCAETITXMQBRU-OWCLPIDISA-N 1 3 318.421 0.602 20 0 DCADHO N[C@@]1(C(=O)NCCO[C@@H]2CC[NH2+]C2)CCc2cc(F)ccc2C1 ZINC001220935939 774956294 /nfs/dbraw/zinc/95/62/94/774956294.db2.gz AWMVLESRLQMNJM-WBVHZDCISA-N 1 3 321.396 0.507 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cn(Cc2ccncc2)cn1 ZINC001221025811 774982358 /nfs/dbraw/zinc/98/23/58/774982358.db2.gz ISAMGUPQRLMBIC-HNNXBMFYSA-N 1 3 316.409 0.399 20 0 DCADHO Cc1cccc(C2(CNC(=O)[C@H](N)CCC[NH3+])CCOCC2)n1 ZINC001221172858 775016662 /nfs/dbraw/zinc/01/66/62/775016662.db2.gz PVPHOGGLEGTNNS-CQSZACIVSA-N 1 3 320.437 0.621 20 0 DCADHO O=C(NCc1nc2cc[nH]cc-2n1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221194980 775022832 /nfs/dbraw/zinc/02/28/32/775022832.db2.gz YBGWAOOLEFJYDT-GFCCVEGCSA-N 1 3 314.393 0.448 20 0 DCADHO N[C@@H](C(=O)NCC[C@@H]1COc2ccccc2O1)C1CC[NH2+]CC1 ZINC001221295330 775057450 /nfs/dbraw/zinc/05/74/50/775057450.db2.gz GAJQUFXQOZOVSY-CZUORRHYSA-N 1 3 319.405 0.660 20 0 DCADHO CC(C)[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cccc(N)n1 ZINC001221404740 775089487 /nfs/dbraw/zinc/08/94/87/775089487.db2.gz FFLTXHIIRMOJSK-HUUCEWRRSA-N 1 3 305.426 0.804 20 0 DCADHO Cn1cc(CCN2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)cn1 ZINC001221791654 775197076 /nfs/dbraw/zinc/19/70/76/775197076.db2.gz WPLZRRKSHCZNEU-HZPDHXFCSA-N 1 3 319.453 0.447 20 0 DCADHO FC(F)(F)[C@@H]1N(C[C@@H]2COCCN2)CCC12CC[NH2+]CC2 ZINC001222642619 775405821 /nfs/dbraw/zinc/40/58/21/775405821.db2.gz MBWGEOWUEPXJIM-VXGBXAGGSA-N 1 3 307.360 0.981 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226876089 775889206 /nfs/dbraw/zinc/88/92/06/775889206.db2.gz CBRHAPMFTNIASM-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226876089 775889209 /nfs/dbraw/zinc/88/92/09/775889209.db2.gz CBRHAPMFTNIASM-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO C[NH+](C)[C@@H](C(=O)NC1CCN(CCn2cncn2)CC1)C1CC1 ZINC001227816407 776010834 /nfs/dbraw/zinc/01/08/34/776010834.db2.gz DGCSZWRFXMZZRY-OAHLLOKOSA-N 1 3 320.441 0.199 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)CC1 ZINC001114770124 776111093 /nfs/dbraw/zinc/11/10/93/776111093.db2.gz OAIRKNFNSSKYIC-FVQHAEBGSA-N 1 3 321.465 0.801 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114835892 776208290 /nfs/dbraw/zinc/20/82/90/776208290.db2.gz SNDUMPJQIWTYGQ-AIANPOQGSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114835892 776208296 /nfs/dbraw/zinc/20/82/96/776208296.db2.gz SNDUMPJQIWTYGQ-AIANPOQGSA-N 1 3 309.454 0.800 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC ZINC001229869025 776231316 /nfs/dbraw/zinc/23/13/16/776231316.db2.gz VGHAMLAHAUTBCZ-MGPQQGTHSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CCN(CCOCCO)CC1 ZINC001230107450 776253972 /nfs/dbraw/zinc/25/39/72/776253972.db2.gz GBBQATHFJWDVNZ-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CCN(CCOCCO)CC1 ZINC001230107450 776253977 /nfs/dbraw/zinc/25/39/77/776253977.db2.gz GBBQATHFJWDVNZ-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138068 776256083 /nfs/dbraw/zinc/25/60/83/776256083.db2.gz FCNMHJWYRIRXGV-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138068 776256093 /nfs/dbraw/zinc/25/60/93/776256093.db2.gz FCNMHJWYRIRXGV-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001278032804 945108292 /nfs/dbraw/zinc/10/82/92/945108292.db2.gz XBZFLKSPDPZOJA-DOTOQJQBSA-N 1 3 310.486 0.990 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001278032804 945108297 /nfs/dbraw/zinc/10/82/97/945108297.db2.gz XBZFLKSPDPZOJA-DOTOQJQBSA-N 1 3 310.486 0.990 20 0 DCADHO c1cn(CCN2C[C@H]3C[C@@H](C2)N(CC[NH+]2CCCC2)C3)cn1 ZINC001278059859 945121864 /nfs/dbraw/zinc/12/18/64/945121864.db2.gz LZNKHLUSQKBKMO-SJORKVTESA-N 1 3 303.454 0.985 20 0 DCADHO CN1CC[NH+](CCCN2CC3(CCN3Cc3ccc[nH]3)C2)CC1 ZINC001278116722 945142410 /nfs/dbraw/zinc/14/24/10/945142410.db2.gz FVBWBUVVWAIHHZ-UHFFFAOYSA-N 1 3 317.481 0.912 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)N(C)C1CC1)[NH+](C)C ZINC001317652173 945146160 /nfs/dbraw/zinc/14/61/60/945146160.db2.gz FMQNCFZEZKFHHM-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317655394 945147960 /nfs/dbraw/zinc/14/79/60/945147960.db2.gz QQHGHOOMJCUNKI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[NH+]1CCC(CN2CC[C@@H]3C[C@@]32C(=O)NCC2COC2)CC1 ZINC001278133707 945149649 /nfs/dbraw/zinc/14/96/49/945149649.db2.gz HDHZIGYQBFJKGH-AEFFLSMTSA-N 1 3 321.465 0.945 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266828408 939247483 /nfs/dbraw/zinc/24/74/83/939247483.db2.gz YGXVICPTSRBGSV-CQSZACIVSA-N 1 3 300.447 0.099 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001266967407 939293238 /nfs/dbraw/zinc/29/32/38/939293238.db2.gz FAECZZDUROBEPS-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001408574642 939368407 /nfs/dbraw/zinc/36/84/07/939368407.db2.gz WTNOXCAOMFYVNJ-KGLIPLIRSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001408574642 939368411 /nfs/dbraw/zinc/36/84/11/939368411.db2.gz WTNOXCAOMFYVNJ-KGLIPLIRSA-N 1 3 312.458 0.099 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCn3cccn3)C2)C1=O ZINC001273095145 945248904 /nfs/dbraw/zinc/24/89/04/945248904.db2.gz LEVDBCHZSWKKIJ-KRWDZBQOSA-N 1 3 319.453 0.759 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCn3cccn3)C2)C1=O ZINC001273095145 945248906 /nfs/dbraw/zinc/24/89/06/945248906.db2.gz LEVDBCHZSWKKIJ-KRWDZBQOSA-N 1 3 319.453 0.759 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCOCC2CC2)C1 ZINC001267282008 939413875 /nfs/dbraw/zinc/41/38/75/939413875.db2.gz NXCWKHSPKZBVLJ-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCOCC2CC2)C1 ZINC001267282008 939413877 /nfs/dbraw/zinc/41/38/77/939413877.db2.gz NXCWKHSPKZBVLJ-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NCC1CC1 ZINC001267372788 939438908 /nfs/dbraw/zinc/43/89/08/939438908.db2.gz YJGDUVYOIOHOQS-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NCC1CC1 ZINC001267372788 939438909 /nfs/dbraw/zinc/43/89/09/939438909.db2.gz YJGDUVYOIOHOQS-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)CCC[NH+](C)C)cn1 ZINC001481054641 939542516 /nfs/dbraw/zinc/54/25/16/939542516.db2.gz PSKGXXBCSGTXOQ-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@@H](O)CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481496297 939902279 /nfs/dbraw/zinc/90/22/79/939902279.db2.gz ARDCOCPPMCLUJS-ZIAGYGMSSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@@H](O)CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481496297 939902282 /nfs/dbraw/zinc/90/22/82/939902282.db2.gz ARDCOCPPMCLUJS-ZIAGYGMSSA-N 1 3 308.426 0.894 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCC(=O)NC ZINC001481854632 940162457 /nfs/dbraw/zinc/16/24/57/940162457.db2.gz FOPFDOOKDANTPE-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001268539064 940224128 /nfs/dbraw/zinc/22/41/28/940224128.db2.gz PUOJDGVQJHFUIG-GFUIURDCSA-N 1 3 310.442 0.387 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@H](O)COc1ccc(CCO)cc1 ZINC001245983318 945304688 /nfs/dbraw/zinc/30/46/88/945304688.db2.gz ODTJJTRSUYJMMW-PVAVHDDUSA-N 1 3 322.449 0.796 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@@H](O)COc1ccc(CCO)cc1 ZINC001245983307 945306117 /nfs/dbraw/zinc/30/61/17/945306117.db2.gz ODTJJTRSUYJMMW-DJIMGWMZSA-N 1 3 322.449 0.796 20 0 DCADHO O[C@@H](CN1CCN[C@H](c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246046446 945327981 /nfs/dbraw/zinc/32/79/81/945327981.db2.gz RGDFEULBOYKLQF-SJORKVTESA-N 1 3 319.449 0.498 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246143365 945347821 /nfs/dbraw/zinc/34/78/21/945347821.db2.gz JZAAAYROAWYEET-GRDNDAEWSA-N 1 3 324.469 0.134 20 0 DCADHO C[C@@H](C[NH2+]CCn1cccn1)N(C)C(=O)CN(C)C1CCC1 ZINC001270995898 941237571 /nfs/dbraw/zinc/23/75/71/941237571.db2.gz NQXBWLNRQDSXPN-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO CN1CCC(O)(C(=O)N2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)CC1 ZINC001271802391 941454365 /nfs/dbraw/zinc/45/43/65/941454365.db2.gz WAVAPYNCOFKTDG-GOEBONIOSA-N 1 3 321.465 0.918 20 0 DCADHO CN1CCC(O)(C(=O)N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)CC1 ZINC001271802391 941454369 /nfs/dbraw/zinc/45/43/69/941454369.db2.gz WAVAPYNCOFKTDG-GOEBONIOSA-N 1 3 321.465 0.918 20 0 DCADHO CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001424238434 941589262 /nfs/dbraw/zinc/58/92/62/941589262.db2.gz LCCCIWIKIIMHBK-UONOGXRCSA-N 1 3 303.422 0.892 20 0 DCADHO C[C@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)c1ccccc1F ZINC001482764132 941660503 /nfs/dbraw/zinc/66/05/03/941660503.db2.gz KEJIVPPJKKKUKH-QWHCGFSZSA-N 1 3 311.401 0.905 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001483007888 941773380 /nfs/dbraw/zinc/77/33/80/941773380.db2.gz FSCCVLHJIIWIAT-QVWFHYRISA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001483007888 941773385 /nfs/dbraw/zinc/77/33/85/941773385.db2.gz FSCCVLHJIIWIAT-QVWFHYRISA-N 1 3 322.453 0.209 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001483009673 941774068 /nfs/dbraw/zinc/77/40/68/941774068.db2.gz VKKODYLIJPKYOG-HIDUINHUSA-N 1 3 310.442 0.065 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001483009673 941774073 /nfs/dbraw/zinc/77/40/73/941774073.db2.gz VKKODYLIJPKYOG-HIDUINHUSA-N 1 3 310.442 0.065 20 0 DCADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N(CCO)CCNCCF ZINC001272182756 941776486 /nfs/dbraw/zinc/77/64/86/941776486.db2.gz UUCCWEZKPRQOGL-OAHLLOKOSA-N 1 3 315.433 0.773 20 0 DCADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N(CCO)CCNCCF ZINC001272182756 941776489 /nfs/dbraw/zinc/77/64/89/941776489.db2.gz UUCCWEZKPRQOGL-OAHLLOKOSA-N 1 3 315.433 0.773 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001409283731 941871524 /nfs/dbraw/zinc/87/15/24/941871524.db2.gz NLKQYUNNMYXRJA-LDZOIKDWSA-N 1 3 324.469 0.336 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483183738 941927977 /nfs/dbraw/zinc/92/79/77/941927977.db2.gz CHZCTKOHUJZXDY-CYBMUJFWSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCc1cnn(C)c1 ZINC001409573424 942063686 /nfs/dbraw/zinc/06/36/86/942063686.db2.gz YGLNGRQZXAWTDF-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCc1cnn(C)c1 ZINC001409573424 942063689 /nfs/dbraw/zinc/06/36/89/942063689.db2.gz YGLNGRQZXAWTDF-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)C12CCCN1CCC2 ZINC001083601874 942087434 /nfs/dbraw/zinc/08/74/34/942087434.db2.gz RYJUCFOVNGOPNF-CVEARBPZSA-N 1 3 321.465 0.966 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)C12CCCN1CCC2 ZINC001083601874 942087437 /nfs/dbraw/zinc/08/74/37/942087437.db2.gz RYJUCFOVNGOPNF-CVEARBPZSA-N 1 3 321.465 0.966 20 0 DCADHO C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001483296914 942246640 /nfs/dbraw/zinc/24/66/40/942246640.db2.gz TUCFIOROPZEBIB-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@H]1C(C)(C)C ZINC000912026553 942393254 /nfs/dbraw/zinc/39/32/54/942393254.db2.gz JGXJMVRQIKYMLR-HNNXBMFYSA-N 1 3 310.486 0.669 20 0 DCADHO CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@H]1C(C)(C)C ZINC000912026553 942393261 /nfs/dbraw/zinc/39/32/61/942393261.db2.gz JGXJMVRQIKYMLR-HNNXBMFYSA-N 1 3 310.486 0.669 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1)C(N)=O ZINC001483559980 942418087 /nfs/dbraw/zinc/41/80/87/942418087.db2.gz ABPYBAWQTZKEPM-GXTWGEPZSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001483585367 942444140 /nfs/dbraw/zinc/44/41/40/942444140.db2.gz GLALNXQWKUSXOO-OAHLLOKOSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cn(C)nn1 ZINC001483622400 942555260 /nfs/dbraw/zinc/55/52/60/942555260.db2.gz SUCABXUKUWQRMQ-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO Cn1ccc(CNCC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001272556540 942825311 /nfs/dbraw/zinc/82/53/11/942825311.db2.gz TYASANQMTXHRIL-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC([C@H]2CCN(CC(N)=O)C2)CC1 ZINC001483799717 942961032 /nfs/dbraw/zinc/96/10/32/942961032.db2.gz RQUFOTWAYXMHEP-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)C(=O)N(C)C ZINC001493742881 943118996 /nfs/dbraw/zinc/11/89/96/943118996.db2.gz VLTZTBULFNKQFK-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484526405 943443531 /nfs/dbraw/zinc/44/35/31/943443531.db2.gz XMRGICJBGHSGSI-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1[C@@H](O)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001413719158 943605268 /nfs/dbraw/zinc/60/52/68/943605268.db2.gz AUMHKYVGESURTG-BBRMVZONSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](F)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484949954 943630462 /nfs/dbraw/zinc/63/04/62/943630462.db2.gz OTBWCZXPJWMXEB-KBPBESRZSA-N 1 3 315.433 0.772 20 0 DCADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]CCCF)CC1 ZINC001484965029 943635443 /nfs/dbraw/zinc/63/54/43/943635443.db2.gz ZCTRKFJYGXWKBU-UHFFFAOYSA-N 1 3 301.406 0.385 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(O)(CNCCF)CC2)CC[N@@H+]1C ZINC001484955236 943636667 /nfs/dbraw/zinc/63/66/67/943636667.db2.gz WJFLYVCRRGAISF-CHWSQXEVSA-N 1 3 301.406 0.239 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(O)(CNCCF)CC2)CC[N@H+]1C ZINC001484955236 943636670 /nfs/dbraw/zinc/63/66/70/943636670.db2.gz WJFLYVCRRGAISF-CHWSQXEVSA-N 1 3 301.406 0.239 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)nn1C ZINC001485001326 943648461 /nfs/dbraw/zinc/64/84/61/943648461.db2.gz BFBZRQLZSFWAND-ZDUSSCGKSA-N 1 3 319.453 0.809 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001484994671 943649098 /nfs/dbraw/zinc/64/90/98/943649098.db2.gz OHNXRJTYTSSOMV-MELADBBJSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C1(C(=O)N2CCN(C(=O)CCC[NH+](C)C)CC2)CCC1 ZINC001491030447 943717337 /nfs/dbraw/zinc/71/73/37/943717337.db2.gz ZMMXXKDLYDVTRL-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001491080581 943737632 /nfs/dbraw/zinc/73/76/32/943737632.db2.gz QBPGSTLLIAIIQO-GASCZTMLSA-N 1 3 307.442 0.806 20 0 DCADHO C[C@H](NCC(=O)NCC(C)(C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485189629 943745370 /nfs/dbraw/zinc/74/53/70/943745370.db2.gz NDUUXWSXRVNPOC-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001485214849 943760614 /nfs/dbraw/zinc/76/06/14/943760614.db2.gz IAMSVTGWBMUIFT-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001491332986 943924728 /nfs/dbraw/zinc/92/47/28/943924728.db2.gz XCDNAJXRVMSFHF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001491332986 943924735 /nfs/dbraw/zinc/92/47/35/943924735.db2.gz XCDNAJXRVMSFHF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCCC1=O ZINC001491472575 944020849 /nfs/dbraw/zinc/02/08/49/944020849.db2.gz DAQZLTSBXWKWFV-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cnc(CN[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC001491502837 944054439 /nfs/dbraw/zinc/05/44/39/944054439.db2.gz CNMXNJKCKBNOBU-ZFWWWQNUSA-N 1 3 305.426 0.864 20 0 DCADHO Cc1cnc(CN[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC001491502837 944054449 /nfs/dbraw/zinc/05/44/49/944054449.db2.gz CNMXNJKCKBNOBU-ZFWWWQNUSA-N 1 3 305.426 0.864 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001203010356 944142482 /nfs/dbraw/zinc/14/24/82/944142482.db2.gz KSGISTRFQFXMRJ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC12CN(Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC001276653638 944248763 /nfs/dbraw/zinc/24/87/63/944248763.db2.gz MPSRDEGJTNNNLG-UHFFFAOYSA-N 1 3 301.438 0.723 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNCc1ccn(C)n1)[NH+](C)C ZINC001272845190 944276678 /nfs/dbraw/zinc/27/66/78/944276678.db2.gz PQNDVSNZVZKOCB-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO COCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001276820541 944314514 /nfs/dbraw/zinc/31/45/14/944314514.db2.gz MVORVKKQUIBQPT-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO COCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001276820538 944314612 /nfs/dbraw/zinc/31/46/12/944314612.db2.gz MVORVKKQUIBQPT-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001485918271 944403103 /nfs/dbraw/zinc/40/31/03/944403103.db2.gz BSDZUIVMJNEUOQ-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC001485946933 944410002 /nfs/dbraw/zinc/41/00/02/944410002.db2.gz KYBWCJFNZTWXIU-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)N[C@@H](C)C(N)=O ZINC001485959310 944447900 /nfs/dbraw/zinc/44/79/00/944447900.db2.gz OXTYKIKGYBGKNX-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001486123458 944579156 /nfs/dbraw/zinc/57/91/56/944579156.db2.gz CDYCENMCEBHPPT-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001486240400 944664534 /nfs/dbraw/zinc/66/45/34/944664534.db2.gz LQLRNGQYIAJNSL-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C(C)(C)C1 ZINC001486246444 944669698 /nfs/dbraw/zinc/66/96/98/944669698.db2.gz KVRDKQNGMDSDCJ-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1c(CN2C[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cccc1=O ZINC001277317054 944757520 /nfs/dbraw/zinc/75/75/20/944757520.db2.gz ZIXDFZOETSCEJG-ZBFHGGJFSA-N 1 3 304.438 0.453 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001317337380 944930494 /nfs/dbraw/zinc/93/04/94/944930494.db2.gz LQOPECDXUHOOCH-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001317362641 944940192 /nfs/dbraw/zinc/94/01/92/944940192.db2.gz GNFSOJOHIJPJIT-KGLIPLIRSA-N 1 3 324.425 0.287 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@H](N)[C@H](F)CC3)C[C@H](C1)N2 ZINC001246586874 945436489 /nfs/dbraw/zinc/43/64/89/945436489.db2.gz NZPHRHHVVWGPTK-WWEJYDQOSA-N 1 3 313.417 0.820 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@H](N)[C@H](F)CC3)C[C@H](C1)N2 ZINC001246586874 945436490 /nfs/dbraw/zinc/43/64/90/945436490.db2.gz NZPHRHHVVWGPTK-WWEJYDQOSA-N 1 3 313.417 0.820 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H](N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)CCN1 ZINC001246690640 945462612 /nfs/dbraw/zinc/46/26/12/945462612.db2.gz KXOFPFOGKQQRKQ-SYQHCUMBSA-N 1 3 313.417 0.679 20 0 DCADHO c1ncc(O[C@@H]2C[C@@H]3CN(C4CC[NH2+]CC4)CCN3C2)cn1 ZINC001246709471 945466807 /nfs/dbraw/zinc/46/68/07/945466807.db2.gz ONPYPBKKZRZJAI-HUUCEWRRSA-N 1 3 303.410 0.366 20 0 DCADHO C(O[C@@H]1CN(C2CC[NH2+]CC2)[C@@H]2COC[C@H]12)C1CCOCC1 ZINC001246715228 945470102 /nfs/dbraw/zinc/47/01/02/945470102.db2.gz QNEWSCSDFYVFDK-GVDBMIGSSA-N 1 3 310.438 0.881 20 0 DCADHO C(O[C@@H]1C[N@@H+](C2CCNCC2)[C@@H]2COC[C@H]12)C1CCOCC1 ZINC001246715228 945470105 /nfs/dbraw/zinc/47/01/05/945470105.db2.gz QNEWSCSDFYVFDK-GVDBMIGSSA-N 1 3 310.438 0.881 20 0 DCADHO C(O[C@@H]1C[N@H+](C2CCNCC2)[C@@H]2COC[C@H]12)C1CCOCC1 ZINC001246715228 945470113 /nfs/dbraw/zinc/47/01/13/945470113.db2.gz QNEWSCSDFYVFDK-GVDBMIGSSA-N 1 3 310.438 0.881 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CCN1 ZINC001246724744 945472019 /nfs/dbraw/zinc/47/20/19/945472019.db2.gz YNXKSVAVTQYVBO-CQJMVSDSSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CCN1 ZINC001246724744 945472025 /nfs/dbraw/zinc/47/20/25/945472025.db2.gz YNXKSVAVTQYVBO-CQJMVSDSSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1C[C@H](N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CC[NH2+]1 ZINC001246724744 945472028 /nfs/dbraw/zinc/47/20/28/945472028.db2.gz YNXKSVAVTQYVBO-CQJMVSDSSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@@H+]([C@@H]3CCN[C@H](C)C3)C[C@H]21 ZINC001246733037 945475410 /nfs/dbraw/zinc/47/54/10/945475410.db2.gz DGOLDTYXFQNLNF-QCODTGAPSA-N 1 3 309.454 0.846 20 0 DCADHO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+]([C@@H]3CCN[C@H](C)C3)C[C@H]21 ZINC001246733037 945475415 /nfs/dbraw/zinc/47/54/15/945475415.db2.gz DGOLDTYXFQNLNF-QCODTGAPSA-N 1 3 309.454 0.846 20 0 DCADHO CCOCc1noc2c1CN([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246762552 945486510 /nfs/dbraw/zinc/48/65/10/945486510.db2.gz GSVHFBOEIMRCKY-LBPRGKRZSA-N 1 3 306.410 0.663 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H]1CCN(Cc2ccccc2)C1 ZINC001246903607 945516417 /nfs/dbraw/zinc/51/64/17/945516417.db2.gz KEXRFCIFVPLXJX-JYJNAYRXSA-N 1 3 303.406 0.836 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246974852 945531767 /nfs/dbraw/zinc/53/17/67/945531767.db2.gz KDSJFYRUBNSWTE-JYJNAYRXSA-N 1 3 324.469 0.168 20 0 DCADHO COc1cnc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c(OC)c1 ZINC001247839084 945577349 /nfs/dbraw/zinc/57/73/49/945577349.db2.gz ZZGPAJDBDGWNQE-SNVBAGLBSA-N 1 3 317.349 0.425 20 0 DCADHO CN1CCC(N)(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CC1 ZINC001249127330 945620726 /nfs/dbraw/zinc/62/07/26/945620726.db2.gz RZOPECWXGGNTNI-UHFFFAOYSA-N 1 3 314.393 0.657 20 0 DCADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1CCCN(C)CC1 ZINC001251736621 945776322 /nfs/dbraw/zinc/77/63/22/945776322.db2.gz WMEVKUDQCUMMNI-KRWDZBQOSA-N 1 3 321.465 0.962 20 0 DCADHO CCOC[C@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001252042705 945853250 /nfs/dbraw/zinc/85/32/50/945853250.db2.gz STRALUPBYIYKSR-GOSISDBHSA-N 1 3 321.465 0.921 20 0 DCADHO COc1ccc(OC[C@H](O)CNCCC[N@H+](C)CCO)cc1 ZINC001252743324 945997415 /nfs/dbraw/zinc/99/74/15/945997415.db2.gz XRSYWNUVANHRQF-CQSZACIVSA-N 1 3 312.410 0.339 20 0 DCADHO COc1ccc(OC[C@H](O)CNCCC[N@@H+](C)CCO)cc1 ZINC001252743324 945997425 /nfs/dbraw/zinc/99/74/25/945997425.db2.gz XRSYWNUVANHRQF-CQSZACIVSA-N 1 3 312.410 0.339 20 0 DCADHO O=C1CC[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252944657 946039517 /nfs/dbraw/zinc/03/95/17/946039517.db2.gz SXFZNBBRBRKNSN-DOTOQJQBSA-N 1 3 303.406 0.492 20 0 DCADHO O=C1CC[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252944657 946039528 /nfs/dbraw/zinc/03/95/28/946039528.db2.gz SXFZNBBRBRKNSN-DOTOQJQBSA-N 1 3 303.406 0.492 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001410224358 946058346 /nfs/dbraw/zinc/05/83/46/946058346.db2.gz BIBDWODXKJZDOI-ZQDZILKHSA-N 1 3 324.469 0.609 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320928140 946069150 /nfs/dbraw/zinc/06/91/50/946069150.db2.gz GZEVPUJTUILZOM-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C[C@@H](O)C[NH+](CC)CC ZINC001253187969 946088559 /nfs/dbraw/zinc/08/85/59/946088559.db2.gz MFZKXSJEBSZXAQ-WFASDCNBSA-N 1 3 324.425 0.575 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CCN(c2cc(C)ncn2)C1 ZINC001253214020 946096423 /nfs/dbraw/zinc/09/64/23/946096423.db2.gz XZGAGWDGOIMXAU-HUUCEWRRSA-N 1 3 307.442 0.656 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@H]1CCCNC1=O)[NH+](C)C ZINC001321351742 946293007 /nfs/dbraw/zinc/29/30/07/946293007.db2.gz ZTKVWHHBNDWMFU-MEWZEZIVSA-N 1 3 310.442 0.113 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001410417639 946333748 /nfs/dbraw/zinc/33/37/48/946333748.db2.gz CZCVRDYBANRVQS-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cccn1 ZINC001321513698 946360031 /nfs/dbraw/zinc/36/00/31/946360031.db2.gz FNZOQUIBSBEYOH-CABCVRRESA-N 1 3 307.442 0.850 20 0 DCADHO CCS(=O)(=O)N(C1CC[NH2+]CC1)[C@H]1CC2CCN(CC2)C1 ZINC001254867205 946442220 /nfs/dbraw/zinc/44/22/20/946442220.db2.gz HDOHZWDUVGQSSK-HNNXBMFYSA-N 1 3 315.483 0.874 20 0 DCADHO NCC[N@H+](CCO)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254992666 946456618 /nfs/dbraw/zinc/45/66/18/946456618.db2.gz RGJFXJBZGDGDSU-AYHJJNSGSA-N 1 3 319.449 0.671 20 0 DCADHO NCC[N@@H+](CCO)C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254992666 946456637 /nfs/dbraw/zinc/45/66/37/946456637.db2.gz RGJFXJBZGDGDSU-AYHJJNSGSA-N 1 3 319.449 0.671 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001410501168 946491926 /nfs/dbraw/zinc/49/19/26/946491926.db2.gz ISOKUGUMECIEJO-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C(CN1CC2(COC2)C1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686943 946655228 /nfs/dbraw/zinc/65/52/28/946655228.db2.gz WSVAPINBTYJYBE-UHFFFAOYSA-N 1 3 309.454 0.552 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322750607 946791926 /nfs/dbraw/zinc/79/19/26/946791926.db2.gz OILCSDJCMFJSLL-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001410963674 947168262 /nfs/dbraw/zinc/16/82/62/947168262.db2.gz CTMXGIOZKHTHHF-QWHCGFSZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]([NH2+]C[C@@H](O)COC)C(C)(C)C1)N(C)C ZINC001411002042 947220178 /nfs/dbraw/zinc/22/01/78/947220178.db2.gz ZXINFRGXLOPHPP-MCIONIFRSA-N 1 3 315.458 0.161 20 0 DCADHO CCN(CC[NH2+]CCn1cccn1)C(=O)C1(N(C)C)CCC1 ZINC001273421443 947317299 /nfs/dbraw/zinc/31/72/99/947317299.db2.gz WONOKMITKHSRDB-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262064329 947544876 /nfs/dbraw/zinc/54/48/76/947544876.db2.gz XYRKGIWTYRCZCO-SYQHCUMBSA-N 1 3 310.442 0.077 20 0 DCADHO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246366117 947690855 /nfs/dbraw/zinc/69/08/55/947690855.db2.gz LXEGPHNXWAVWSI-OCCSQVGLSA-N 1 3 303.472 0.778 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC001325427758 947792670 /nfs/dbraw/zinc/79/26/70/947792670.db2.gz LBMGXOKTEVBDCU-CYBMUJFWSA-N 1 3 324.425 0.284 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534557 947853784 /nfs/dbraw/zinc/85/37/84/947853784.db2.gz OSXLKSLVQUAIAQ-QPSCCSFWSA-N 1 3 313.442 0.057 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546283 947867564 /nfs/dbraw/zinc/86/75/64/947867564.db2.gz JLYOORUDRAJWBB-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326285217 948119694 /nfs/dbraw/zinc/11/96/94/948119694.db2.gz CDJIETLPEXVRHK-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C(C)(C)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273839048 948462547 /nfs/dbraw/zinc/46/25/47/948462547.db2.gz BOPTZSIRLIPEFE-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001491566957 948732356 /nfs/dbraw/zinc/73/23/56/948732356.db2.gz SVKGNQBARADYTA-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001264582949 949012704 /nfs/dbraw/zinc/01/27/04/949012704.db2.gz RGADEYBVSGXADD-OAHLLOKOSA-N 1 3 323.441 0.884 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001488857638 949269695 /nfs/dbraw/zinc/26/96/95/949269695.db2.gz CNKNMVMDWDPNMD-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[C@@H]1CCN(CC)C1 ZINC001329749448 949839676 /nfs/dbraw/zinc/83/96/76/949839676.db2.gz LWHJUNFCPKFUGB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)CCC[NH+](C)C ZINC001489779327 950095731 /nfs/dbraw/zinc/09/57/31/950095731.db2.gz OZQYOSKEIYJXMQ-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(CCCNC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)C(N)=O ZINC001266054151 950310335 /nfs/dbraw/zinc/31/03/35/950310335.db2.gz KEQYMCCMVGNHGT-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[NH+](C)CCc1cccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1 ZINC001364996631 950321908 /nfs/dbraw/zinc/32/19/08/950321908.db2.gz HSZYICMRVJCMAC-MRXNPFEDSA-N 1 3 317.433 0.994 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001490197253 950420739 /nfs/dbraw/zinc/42/07/39/950420739.db2.gz XANNQERFFSAGHE-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(C)[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001490197253 950420753 /nfs/dbraw/zinc/42/07/53/950420753.db2.gz XANNQERFFSAGHE-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC1=CC[N@H+](C[C@H](C)O)CC1 ZINC001279573825 950628370 /nfs/dbraw/zinc/62/83/70/950628370.db2.gz ILGIEWOLYILYNP-ZFWWWQNUSA-N 1 3 315.433 0.795 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC1=CC[N@@H+](C[C@H](C)O)CC1 ZINC001279573825 950628386 /nfs/dbraw/zinc/62/83/86/950628386.db2.gz ILGIEWOLYILYNP-ZFWWWQNUSA-N 1 3 315.433 0.795 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001330880184 950732666 /nfs/dbraw/zinc/73/26/66/950732666.db2.gz QJJOQZKANLZELC-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCC23CCC3)CC[N@@H+]1C ZINC001331129851 950937940 /nfs/dbraw/zinc/93/79/40/950937940.db2.gz BQGOUAVVRNCQOW-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCC23CCC3)CC[N@H+]1C ZINC001331129851 950937959 /nfs/dbraw/zinc/93/79/59/950937959.db2.gz BQGOUAVVRNCQOW-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331133687 950943802 /nfs/dbraw/zinc/94/38/02/950943802.db2.gz LWPQKAYLMWADOU-MJBXVCDLSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]([NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1)C(N)=O ZINC001490665924 950970161 /nfs/dbraw/zinc/97/01/61/950970161.db2.gz XLERNNXIXYJXSC-GXTWGEPZSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)CC[N@@H+]1C ZINC001490664085 951018419 /nfs/dbraw/zinc/01/84/19/951018419.db2.gz DJKSNVRALKIKSJ-DFBGVHRSSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)CC[N@H+]1C ZINC001490664085 951018431 /nfs/dbraw/zinc/01/84/31/951018431.db2.gz DJKSNVRALKIKSJ-DFBGVHRSSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2ccnn2C)C2CC2)C1 ZINC001490708853 951022791 /nfs/dbraw/zinc/02/27/91/951022791.db2.gz FBTVDBDZMPGVDI-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001331514409 951151472 /nfs/dbraw/zinc/15/14/72/951151472.db2.gz FWIXEUOROHDEMI-HNNXBMFYSA-N 1 3 318.421 0.362 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001274025459 951337050 /nfs/dbraw/zinc/33/70/50/951337050.db2.gz MBRARGOFYCVYNK-JHZNUDOXSA-N 1 3 308.426 0.010 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001274025459 951337056 /nfs/dbraw/zinc/33/70/56/951337056.db2.gz MBRARGOFYCVYNK-JHZNUDOXSA-N 1 3 308.426 0.010 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001332154902 951501214 /nfs/dbraw/zinc/50/12/14/951501214.db2.gz GOLSZANUXYTKHG-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CNCCF)CC2)CC[N@@H+]1C ZINC001274519856 951676266 /nfs/dbraw/zinc/67/62/66/951676266.db2.gz BIXPFOUIYJUNQW-UONOGXRCSA-N 1 3 315.433 0.629 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(O)(CNCCF)CC2)CC[N@H+]1C ZINC001274519856 951676269 /nfs/dbraw/zinc/67/62/69/951676269.db2.gz BIXPFOUIYJUNQW-UONOGXRCSA-N 1 3 315.433 0.629 20 0 DCADHO CN(CCC[NH2+]CC(=O)NC1CCCC1)C(=O)[C@H]1CCCN1C ZINC001275914854 952522261 /nfs/dbraw/zinc/52/22/61/952522261.db2.gz FSARYSAKGKPYDN-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001335451791 952538597 /nfs/dbraw/zinc/53/85/97/952538597.db2.gz NTXUGWXHIPGZOV-JKSUJKDBSA-N 1 3 323.485 0.265 20 0 DCADHO Cc1nccn1CCNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001335986818 952628679 /nfs/dbraw/zinc/62/86/79/952628679.db2.gz NYRFMQOMXRBTLE-UHFFFAOYSA-N 1 3 322.457 0.566 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001412268349 952727417 /nfs/dbraw/zinc/72/74/17/952727417.db2.gz MYOVQZDEZHPSIG-KFWWJZLASA-N 1 3 324.469 0.685 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001412733462 953030537 /nfs/dbraw/zinc/03/05/37/953030537.db2.gz QXFWIVLIAPCWFU-GFCCVEGCSA-N 1 3 319.409 0.011 20 0 DCADHO NCc1ncc(C(=O)NCCCCC[NH+]2CCNCC2)s1 ZINC001341188276 953215519 /nfs/dbraw/zinc/21/55/19/953215519.db2.gz PHSRLPOLDHGECU-UHFFFAOYSA-N 1 3 311.455 0.407 20 0 DCADHO COCCNCC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001341336293 953224597 /nfs/dbraw/zinc/22/45/97/953224597.db2.gz RYBLUXIIXPFBMB-UHFFFAOYSA-N 1 3 305.422 0.742 20 0 DCADHO [NH3+]CCOCC(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001341999882 953263427 /nfs/dbraw/zinc/26/34/27/953263427.db2.gz ISPKVQASGMTBMB-UONOGXRCSA-N 1 3 319.405 0.471 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+][C@@H]1CCN(C)C1=O)C1CC1)C1CCC1 ZINC001366034925 953606787 /nfs/dbraw/zinc/60/67/87/953606787.db2.gz KZIJSWWERZGHCC-HUUCEWRRSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001366057478 953632467 /nfs/dbraw/zinc/63/24/67/953632467.db2.gz FOVDWDUYSIYRJQ-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCCCC2)C1 ZINC001366098948 953683078 /nfs/dbraw/zinc/68/30/78/953683078.db2.gz QPHNHMUFZYJPEC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001366188937 953798726 /nfs/dbraw/zinc/79/87/26/953798726.db2.gz TZVJKLLQLTYJDE-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001366218081 953845188 /nfs/dbraw/zinc/84/51/88/953845188.db2.gz SFPLHSVZAYBBEP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCCN(C)C1=O ZINC001366334633 954045207 /nfs/dbraw/zinc/04/52/07/954045207.db2.gz VQGYFQOUICOMDE-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001366384923 954132868 /nfs/dbraw/zinc/13/28/68/954132868.db2.gz HQMTYXRNJIJBMX-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366394143 954144926 /nfs/dbraw/zinc/14/49/26/954144926.db2.gz IBHAEGUEWDEUNC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001366394143 954144933 /nfs/dbraw/zinc/14/49/33/954144933.db2.gz IBHAEGUEWDEUNC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366411653 954165499 /nfs/dbraw/zinc/16/54/99/954165499.db2.gz BZLXCDJWXCHBEK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(C)CCNC3=O)CC2)CC1 ZINC001348936575 954539661 /nfs/dbraw/zinc/53/96/61/954539661.db2.gz GWTFEAOTQJKGRX-KRWDZBQOSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)NC2CC2)CC[N@@H+]1C ZINC001366770308 954812736 /nfs/dbraw/zinc/81/27/36/954812736.db2.gz OAXBJZZZGIHYIS-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)NC2CC2)CC[N@H+]1C ZINC001366770308 954812744 /nfs/dbraw/zinc/81/27/44/954812744.db2.gz OAXBJZZZGIHYIS-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366854601 954940393 /nfs/dbraw/zinc/94/03/93/954940393.db2.gz SPZSYMWFFMXWTQ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366854601 954940400 /nfs/dbraw/zinc/94/04/00/954940400.db2.gz SPZSYMWFFMXWTQ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CN(C[C@H](O)C[NH2+]CCC1CCOCC1)C(=O)Cc1c[nH]cn1 ZINC001284446182 955101698 /nfs/dbraw/zinc/10/16/98/955101698.db2.gz CBWQKPZCFQNLDR-OAHLLOKOSA-N 1 3 324.425 0.178 20 0 DCADHO CCOCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284491965 955124298 /nfs/dbraw/zinc/12/42/98/955124298.db2.gz FVTMMMMCTOBTRO-RBSFLKMASA-N 1 3 315.458 0.114 20 0 DCADHO CCOCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284491965 955124303 /nfs/dbraw/zinc/12/43/03/955124303.db2.gz FVTMMMMCTOBTRO-RBSFLKMASA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCCC1 ZINC001367130703 955368583 /nfs/dbraw/zinc/36/85/83/955368583.db2.gz XHLSFLJCSDEXDE-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001355214140 956617076 /nfs/dbraw/zinc/61/70/76/956617076.db2.gz HRQQOLUOZQPQQO-CVEARBPZSA-N 1 3 324.469 0.713 20 0 DCADHO COCCNCC(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001355560550 956675710 /nfs/dbraw/zinc/67/57/10/956675710.db2.gz ZWUKTBFZBXTTIY-YOEHRIQHSA-N 1 3 319.405 0.595 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001293334557 957352181 /nfs/dbraw/zinc/35/21/81/957352181.db2.gz WOALEXGCIRHQKZ-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001293334557 957352190 /nfs/dbraw/zinc/35/21/90/957352190.db2.gz WOALEXGCIRHQKZ-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO N[C@H](Cc1cc2ccccc2o1)C(=O)N1CCNCC[NH2+]CC1 ZINC001358224807 957437368 /nfs/dbraw/zinc/43/73/68/957437368.db2.gz UWAMZXICPAITGX-OAHLLOKOSA-N 1 3 316.405 0.324 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001367358910 957712749 /nfs/dbraw/zinc/71/27/49/957712749.db2.gz QLORWDLJBUNVQE-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001367358910 957712760 /nfs/dbraw/zinc/71/27/60/957712760.db2.gz QLORWDLJBUNVQE-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367390216 957756950 /nfs/dbraw/zinc/75/69/50/957756950.db2.gz WGXGBFZUZPJZNA-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367390216 957756960 /nfs/dbraw/zinc/75/69/60/957756960.db2.gz WGXGBFZUZPJZNA-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001367673493 958330476 /nfs/dbraw/zinc/33/04/76/958330476.db2.gz ZGPSCVSSNFLZPC-LLVKDONJSA-N 1 3 319.413 0.809 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001367737719 958473275 /nfs/dbraw/zinc/47/32/75/958473275.db2.gz BCZBHEMPFSWVTJ-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CN(C)CCO)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001367831273 958671649 /nfs/dbraw/zinc/67/16/49/958671649.db2.gz IGQYLGNCPKFVTR-AWEZNQCLSA-N 1 3 307.438 0.833 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CNCC(=O)NC)C2CC2)C1 ZINC001367902011 958818222 /nfs/dbraw/zinc/81/82/22/958818222.db2.gz GKEPOIBBNOVXER-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CNCC(=O)NC)C2CC2)C1 ZINC001367902011 958818245 /nfs/dbraw/zinc/81/82/45/958818245.db2.gz GKEPOIBBNOVXER-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NC1CC1 ZINC001376780435 958819752 /nfs/dbraw/zinc/81/97/52/958819752.db2.gz BEAIBSIHPVFPFP-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001367924474 958875134 /nfs/dbraw/zinc/87/51/34/958875134.db2.gz WJNNFEBAIIFNLX-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376945170 959182039 /nfs/dbraw/zinc/18/20/39/959182039.db2.gz XCCYMLYTESZLDI-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2ccnn2C)C1 ZINC001491859745 959306883 /nfs/dbraw/zinc/30/68/83/959306883.db2.gz YJKOFELPPXZSMD-HNNXBMFYSA-N 1 3 321.469 0.741 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368162000 959374430 /nfs/dbraw/zinc/37/44/30/959374430.db2.gz HOQSWYUDPDKLQM-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001377090005 959454637 /nfs/dbraw/zinc/45/46/37/959454637.db2.gz COAFYBCPZUHTLC-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001368424219 959842818 /nfs/dbraw/zinc/84/28/18/959842818.db2.gz RVJIXQHFWOSFER-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001377281801 959854219 /nfs/dbraw/zinc/85/42/19/959854219.db2.gz UNSSHIHQSDLLTA-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001368451671 959883581 /nfs/dbraw/zinc/88/35/81/959883581.db2.gz OYKRGFSEISVQMD-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001368494499 959939181 /nfs/dbraw/zinc/93/91/81/959939181.db2.gz DFOGQFUSNQMEMV-UHFFFAOYSA-N 1 3 310.442 0.237 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001368575977 960050374 /nfs/dbraw/zinc/05/03/74/960050374.db2.gz IEQMEGKIKKMHJX-ZIAGYGMSSA-N 1 3 313.442 0.323 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC/C=C/Cl)C1 ZINC001368617060 960093957 /nfs/dbraw/zinc/09/39/57/960093957.db2.gz BHCLXUQTNMMAGA-BTKRWWFXSA-N 1 3 303.834 0.634 20 0 DCADHO CO[C@@H](C)C[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001368634416 960109341 /nfs/dbraw/zinc/10/93/41/960109341.db2.gz ZZFHPMHYYSSJBY-HOCLYGCPSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NC1CCCC1 ZINC001368661119 960134516 /nfs/dbraw/zinc/13/45/16/960134516.db2.gz USOLKLAOYBZMBN-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCn1cccn1 ZINC001377515754 960214549 /nfs/dbraw/zinc/21/45/49/960214549.db2.gz CIZHIRPZZWBWKJ-LBPRGKRZSA-N 1 3 304.398 0.642 20 0 DCADHO CCCN(C)CC(=O)NC1(CO)CC[NH+](C[C@@H](C)OC)CC1 ZINC001368772503 960251216 /nfs/dbraw/zinc/25/12/16/960251216.db2.gz QBOKJYSBEPSTMR-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1)NC1CC1 ZINC001368773630 960251749 /nfs/dbraw/zinc/25/17/49/960251749.db2.gz AHECJNXWQGQFPS-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(CNCc2nccn2C)C1)[NH+](C)C ZINC001368809446 960301285 /nfs/dbraw/zinc/30/12/85/960301285.db2.gz KUDNWTFZFNLSBB-XUJLQICISA-N 1 3 321.469 0.991 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001377600035 960343757 /nfs/dbraw/zinc/34/37/57/960343757.db2.gz IUELFSFJRDCWPB-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001377636717 960378690 /nfs/dbraw/zinc/37/86/90/960378690.db2.gz FJKLVMKOTORLPI-KGLIPLIRSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001377636717 960378698 /nfs/dbraw/zinc/37/86/98/960378698.db2.gz FJKLVMKOTORLPI-KGLIPLIRSA-N 1 3 303.422 0.581 20 0 DCADHO CNC(=O)[C@H](C)N1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001377707682 960472975 /nfs/dbraw/zinc/47/29/75/960472975.db2.gz QYFWAHOYOAJLGJ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001377731791 960523102 /nfs/dbraw/zinc/52/31/02/960523102.db2.gz WQULMGDOFDYTQA-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001378298763 960529213 /nfs/dbraw/zinc/52/92/13/960529213.db2.gz KOYPBFPMXRTQCR-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cncn1C ZINC001378302327 960535388 /nfs/dbraw/zinc/53/53/88/960535388.db2.gz LOMDGOCSFKFXQP-CQSZACIVSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](CC)C(N)=O)C1 ZINC001377766751 960608060 /nfs/dbraw/zinc/60/80/60/960608060.db2.gz XUWYZHBVKYQQOS-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](CC)C(N)=O)C1 ZINC001377766751 960608085 /nfs/dbraw/zinc/60/80/85/960608085.db2.gz XUWYZHBVKYQQOS-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H]([NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1)C(N)=O ZINC001378361169 960648993 /nfs/dbraw/zinc/64/89/93/960648993.db2.gz CCSMLYISEVOTAK-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001377813913 960715442 /nfs/dbraw/zinc/71/54/42/960715442.db2.gz IPRBKIMCQZTOIN-CHWSQXEVSA-N 1 3 320.437 0.372 20 0 DCADHO C[C@@H]([NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001378426415 960743506 /nfs/dbraw/zinc/74/35/06/960743506.db2.gz LBJUOPWYVXYVCC-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001447018498 1013198851 /nfs/dbraw/zinc/19/88/51/1013198851.db2.gz CVCVYYLSUZCPME-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001447018498 1013198857 /nfs/dbraw/zinc/19/88/57/1013198857.db2.gz CVCVYYLSUZCPME-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001378512121 960910241 /nfs/dbraw/zinc/91/02/41/960910241.db2.gz JNJWQUBRSOBSQK-QLFBSQMISA-N 1 3 315.458 0.161 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC001378544103 960980823 /nfs/dbraw/zinc/98/08/23/960980823.db2.gz JXZBNCYVYMLFJA-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC001378544103 960980832 /nfs/dbraw/zinc/98/08/32/960980832.db2.gz JXZBNCYVYMLFJA-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001377953746 961048548 /nfs/dbraw/zinc/04/85/48/961048548.db2.gz MCRGUMBTAYRKJA-NSHDSACASA-N 1 3 309.414 0.223 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001378700634 961306314 /nfs/dbraw/zinc/30/63/14/961306314.db2.gz IMVPZGIHZPFAIC-YHUYYLMFSA-N 1 3 323.481 0.926 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001378700634 961306329 /nfs/dbraw/zinc/30/63/29/961306329.db2.gz IMVPZGIHZPFAIC-YHUYYLMFSA-N 1 3 323.481 0.926 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CC[C@H]3CCC[NH2+]3)C2)nn1 ZINC001549046913 1013245061 /nfs/dbraw/zinc/24/50/61/1013245061.db2.gz CVZXQIQQHHAYPU-OCCSQVGLSA-N 1 3 306.414 0.433 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001549047654 1013248637 /nfs/dbraw/zinc/24/86/37/1013248637.db2.gz VSLFWWVBIPXSSI-TZMCWYRMSA-N 1 3 306.414 0.290 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)c3cccc(C[NH3+])c3)C2)nn1 ZINC001549047146 1013248997 /nfs/dbraw/zinc/24/89/97/1013248997.db2.gz MAPGZIYZSQTUFG-HNNXBMFYSA-N 1 3 314.393 0.673 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001378803918 961504911 /nfs/dbraw/zinc/50/49/11/961504911.db2.gz ZCCUWWALOXAYFN-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CN1CCC(C)CC1 ZINC001378840054 961582294 /nfs/dbraw/zinc/58/22/94/961582294.db2.gz WACJOARITLMYRK-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001378928432 961719486 /nfs/dbraw/zinc/71/94/86/961719486.db2.gz UMCLTMSSZLLOMZ-LBPRGKRZSA-N 1 3 310.442 0.125 20 0 DCADHO CN(CC[N@H+](C)CCCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001379039018 961941585 /nfs/dbraw/zinc/94/15/85/961941585.db2.gz YURHAJLTNJVDPK-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CC[N@@H+](C)CCCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001379039018 961941595 /nfs/dbraw/zinc/94/15/95/961941595.db2.gz YURHAJLTNJVDPK-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001379885656 962211045 /nfs/dbraw/zinc/21/10/45/962211045.db2.gz ZANNXFVXMKARHX-QWHCGFSZSA-N 1 3 321.412 0.781 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCc2cncc(F)c2)CC1 ZINC001379236529 962426585 /nfs/dbraw/zinc/42/65/85/962426585.db2.gz FVBJUIYLPNJMFI-HNNXBMFYSA-N 1 3 324.400 0.129 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001379321013 962620035 /nfs/dbraw/zinc/62/00/35/962620035.db2.gz QTEKZKYBPUVTJL-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@H]2CCCNC2=O)CC1)[NH+](C)C ZINC001380133075 962736556 /nfs/dbraw/zinc/73/65/56/962736556.db2.gz FNJGQHNLRKCKKX-QWHCGFSZSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001380166759 962811958 /nfs/dbraw/zinc/81/19/58/962811958.db2.gz MDCHBOVQIZQZHE-YMAMQOFZSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001379463777 962980459 /nfs/dbraw/zinc/98/04/59/962980459.db2.gz GJFGTTXVKXAGIM-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C(=O)NC1CC1 ZINC001380282528 962985034 /nfs/dbraw/zinc/98/50/34/962985034.db2.gz FMQGOYDVADCKDQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001379467716 962988027 /nfs/dbraw/zinc/98/80/27/962988027.db2.gz QFMMLRHOZCSCER-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001380292639 963002521 /nfs/dbraw/zinc/00/25/21/963002521.db2.gz RCRIVCYRVDSZRJ-AAEUAGOBSA-N 1 3 308.430 0.706 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@H]2CCN(C)C2=O)C1 ZINC001447356542 1013390736 /nfs/dbraw/zinc/39/07/36/1013390736.db2.gz RKVDHPFPSOHCIQ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@H]2CCN(C)C2=O)C1 ZINC001447356542 1013390750 /nfs/dbraw/zinc/39/07/50/1013390750.db2.gz RKVDHPFPSOHCIQ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCc2ccc(F)cc2)C1 ZINC001379505386 963084394 /nfs/dbraw/zinc/08/43/94/963084394.db2.gz NUDAMUOJXJDOKJ-HOCLYGCPSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCc2ccc(F)cc2)C1 ZINC001379505386 963084409 /nfs/dbraw/zinc/08/44/09/963084409.db2.gz NUDAMUOJXJDOKJ-HOCLYGCPSA-N 1 3 323.412 0.734 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN(CCn2cccn2)C1 ZINC001380359377 963103348 /nfs/dbraw/zinc/10/33/48/963103348.db2.gz PGGLTMSYWNPUOA-INIZCTEOSA-N 1 3 307.442 0.806 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001430358775 1013400670 /nfs/dbraw/zinc/40/06/70/1013400670.db2.gz BXUVRMWXWTWAFC-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001379591108 963226637 /nfs/dbraw/zinc/22/66/37/963226637.db2.gz GZUZCTVOXOUHCB-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001380908615 963675325 /nfs/dbraw/zinc/67/53/25/963675325.db2.gz AAZJTFWQBVWERP-MRXNPFEDSA-N 1 3 320.437 0.739 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381277454 963935167 /nfs/dbraw/zinc/93/51/67/963935167.db2.gz BZRNIGNDUMBBRA-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381277454 963935173 /nfs/dbraw/zinc/93/51/73/963935173.db2.gz BZRNIGNDUMBBRA-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O)N(C)C ZINC001368906850 964117107 /nfs/dbraw/zinc/11/71/07/964117107.db2.gz NUSHPUREXYBIEV-OLZOCXBDSA-N 1 3 314.474 0.521 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)CCc1ccnn1C ZINC001368989903 964253315 /nfs/dbraw/zinc/25/33/15/964253315.db2.gz HBZMLDQIHKHWJJ-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CCc1ccnn1C ZINC001368989903 964253325 /nfs/dbraw/zinc/25/33/25/964253325.db2.gz HBZMLDQIHKHWJJ-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001375493235 964472236 /nfs/dbraw/zinc/47/22/36/964472236.db2.gz OEUGRLMSQFESBY-KBXIAJHMSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC1CC1 ZINC001369281536 964647431 /nfs/dbraw/zinc/64/74/31/964647431.db2.gz DNLAXGJKWMTHAL-OLZOCXBDSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001373844824 964709628 /nfs/dbraw/zinc/70/96/28/964709628.db2.gz FUVSYEYWQDZKHY-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N[C@]1(C[NH2+]CC(N)=O)CCCC[C@H]1C ZINC001373905786 964771385 /nfs/dbraw/zinc/77/13/85/964771385.db2.gz ULLQONKYRQAFAP-CJNGLKHVSA-N 1 3 312.458 0.468 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001375763103 964807170 /nfs/dbraw/zinc/80/71/70/964807170.db2.gz LQVHHDGXZCDJRX-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001375763104 964807514 /nfs/dbraw/zinc/80/75/14/964807514.db2.gz LQVHHDGXZCDJRX-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001375763801 964810437 /nfs/dbraw/zinc/81/04/37/964810437.db2.gz AUEAQCRWERTOAT-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001369480228 965051971 /nfs/dbraw/zinc/05/19/71/965051971.db2.gz VZAMUBFPOLJBGO-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001369480230 965052076 /nfs/dbraw/zinc/05/20/76/965052076.db2.gz VZAMUBFPOLJBGO-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001374172162 965091014 /nfs/dbraw/zinc/09/10/14/965091014.db2.gz MDTNILIKYMSPFX-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+][C@@H](C)C(=O)NC)CCCC1 ZINC001374178306 965097173 /nfs/dbraw/zinc/09/71/73/965097173.db2.gz VNBXSVAKWYXSNB-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369516984 965126289 /nfs/dbraw/zinc/12/62/89/965126289.db2.gz UOQNUGGKGQWHNG-DLBZAZTESA-N 1 3 319.449 0.889 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369516984 965126300 /nfs/dbraw/zinc/12/63/00/965126300.db2.gz UOQNUGGKGQWHNG-DLBZAZTESA-N 1 3 319.449 0.889 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374273917 965213164 /nfs/dbraw/zinc/21/31/64/965213164.db2.gz AFIVCEIJZYSMJG-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCc1n[nH]c(C(C)(C)C)n1)N(C)C(=O)CC[NH+](C)C ZINC001374276420 965216577 /nfs/dbraw/zinc/21/65/77/965216577.db2.gz LXVGICSOYZPYEX-GFCCVEGCSA-N 1 3 324.473 0.990 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001369752179 965357794 /nfs/dbraw/zinc/35/77/94/965357794.db2.gz IGNMLPVZRSYZHA-DZGCQCFKSA-N 1 3 317.449 0.970 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001376401007 965614137 /nfs/dbraw/zinc/61/41/37/965614137.db2.gz MWZBMVLQKPRBJA-AAVRWANBSA-N 1 3 310.442 0.040 20 0 DCADHO O=C(NC[C@H](O)CNCc1ccns1)C12CCC[NH+]1CCC2 ZINC001374622703 965654175 /nfs/dbraw/zinc/65/41/75/965654175.db2.gz HIHKDXWOVMGPDF-GFCCVEGCSA-N 1 3 324.450 0.338 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001376547009 965815218 /nfs/dbraw/zinc/81/52/18/965815218.db2.gz KLBCTCCIFUHHJC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447861694 1013606305 /nfs/dbraw/zinc/60/63/05/1013606305.db2.gz DBPASJDKULXUCN-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001447861697 1013606564 /nfs/dbraw/zinc/60/65/64/1013606564.db2.gz DBPASJDKULXUCN-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]C[C@@H](C)O)CC1 ZINC001376613650 965892528 /nfs/dbraw/zinc/89/25/28/965892528.db2.gz GPNZJWWAGBBHSX-MRVWCRGKSA-N 1 3 308.426 0.906 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CC[C@H](C)O3)C[C@H]21 ZINC001376662287 965952387 /nfs/dbraw/zinc/95/23/87/965952387.db2.gz WTYZUXQLTVHFCM-LVNYTYFRSA-N 1 3 309.454 0.941 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CC[C@H](C)O3)C[C@H]21 ZINC001376662287 965952400 /nfs/dbraw/zinc/95/24/00/965952400.db2.gz WTYZUXQLTVHFCM-LVNYTYFRSA-N 1 3 309.454 0.941 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001370407321 966091952 /nfs/dbraw/zinc/09/19/52/966091952.db2.gz UGPKEJPFKKOWDW-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001370407321 966091961 /nfs/dbraw/zinc/09/19/61/966091961.db2.gz UGPKEJPFKKOWDW-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370433394 966116409 /nfs/dbraw/zinc/11/64/09/966116409.db2.gz ZFOGNDNKCWKWPR-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H](NC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001374930585 966150734 /nfs/dbraw/zinc/15/07/34/966150734.db2.gz JXCGBRDJCMNLEI-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001370704896 966400151 /nfs/dbraw/zinc/40/01/51/966400151.db2.gz PKEVNCFRAJRWLF-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2nccnc2C)C1 ZINC001370704896 966400158 /nfs/dbraw/zinc/40/01/58/966400158.db2.gz PKEVNCFRAJRWLF-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001370711867 966406074 /nfs/dbraw/zinc/40/60/74/966406074.db2.gz LMGAFPNPXJTRAJ-ZNMIVQPWSA-N 1 3 320.437 0.462 20 0 DCADHO Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001447926392 1013653740 /nfs/dbraw/zinc/65/37/40/1013653740.db2.gz JETFMKBUNJTPLS-GHMZBOCLSA-N 1 3 306.414 0.192 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001370804186 966496251 /nfs/dbraw/zinc/49/62/51/966496251.db2.gz GYWKRNBOAREGQG-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21)N(C)C ZINC001371027535 966678349 /nfs/dbraw/zinc/67/83/49/966678349.db2.gz WRHMPVLCXACEDN-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21)N(C)C ZINC001371027535 966678353 /nfs/dbraw/zinc/67/83/53/966678353.db2.gz WRHMPVLCXACEDN-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001371199790 966808248 /nfs/dbraw/zinc/80/82/48/966808248.db2.gz IYFDLJHVLQKRII-VXGBXAGGSA-N 1 3 310.442 0.232 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001371205387 966810949 /nfs/dbraw/zinc/81/09/49/966810949.db2.gz SNTHYWPDGUGTIV-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001381974860 966834459 /nfs/dbraw/zinc/83/44/59/966834459.db2.gz PBGDEAUHOUINLN-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001381974860 966834468 /nfs/dbraw/zinc/83/44/68/966834468.db2.gz PBGDEAUHOUINLN-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001382139242 966972318 /nfs/dbraw/zinc/97/23/18/966972318.db2.gz NBERKTMGENFSPM-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001371433718 966987920 /nfs/dbraw/zinc/98/79/20/966987920.db2.gz VQJBPAISVYAUDG-CHWSQXEVSA-N 1 3 308.430 0.202 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccnn2C)[C@H]1C ZINC001382303511 967187381 /nfs/dbraw/zinc/18/73/81/967187381.db2.gz MMXOLHSQBPPCCJ-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NCC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001382320954 967215333 /nfs/dbraw/zinc/21/53/33/967215333.db2.gz WHKOBFHQJJEVMT-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001448036266 1013728769 /nfs/dbraw/zinc/72/87/69/1013728769.db2.gz IZQVMKIMDVIVLC-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001448036266 1013728773 /nfs/dbraw/zinc/72/87/73/1013728773.db2.gz IZQVMKIMDVIVLC-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)Cc1ccn(C)c(=O)c1)C1CCC1 ZINC001371994466 967526172 /nfs/dbraw/zinc/52/61/72/967526172.db2.gz CTQZYXJAFJXPKP-UHFFFAOYSA-N 1 3 320.437 0.418 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)Cc1ccn(C)c(=O)c1)C1CCC1 ZINC001371994466 967526178 /nfs/dbraw/zinc/52/61/78/967526178.db2.gz CTQZYXJAFJXPKP-UHFFFAOYSA-N 1 3 320.437 0.418 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)CC[NH+](C)C ZINC001383011991 967850237 /nfs/dbraw/zinc/85/02/37/967850237.db2.gz REKYEBIXBRGWLA-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001372586182 968140751 /nfs/dbraw/zinc/14/07/51/968140751.db2.gz XLMNUBGKRXWZMO-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCN2CCCC2=O)C1)N(C)C ZINC001372631277 968196799 /nfs/dbraw/zinc/19/67/99/968196799.db2.gz WRJGIDODKGVRFS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)N(C)C ZINC001372631277 968196801 /nfs/dbraw/zinc/19/68/01/968196801.db2.gz WRJGIDODKGVRFS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)NC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373250264 968854222 /nfs/dbraw/zinc/85/42/22/968854222.db2.gz ZBYPRGCEEPWUHI-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373250264 968854226 /nfs/dbraw/zinc/85/42/26/968854226.db2.gz ZBYPRGCEEPWUHI-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373250263 968854803 /nfs/dbraw/zinc/85/48/03/968854803.db2.gz ZBYPRGCEEPWUHI-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373250263 968854809 /nfs/dbraw/zinc/85/48/09/968854809.db2.gz ZBYPRGCEEPWUHI-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001373330032 968945445 /nfs/dbraw/zinc/94/54/45/968945445.db2.gz LRIQFOWZFNATFL-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001373330032 968945452 /nfs/dbraw/zinc/94/54/52/968945452.db2.gz LRIQFOWZFNATFL-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001373550854 969220430 /nfs/dbraw/zinc/22/04/30/969220430.db2.gz RWFKJPZQEJRNJK-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001373572879 969247795 /nfs/dbraw/zinc/24/77/95/969247795.db2.gz KMSMHFKXFVFQCL-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001373572879 969247801 /nfs/dbraw/zinc/24/78/01/969247801.db2.gz KMSMHFKXFVFQCL-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](NCCF)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001448452471 1013916855 /nfs/dbraw/zinc/91/68/55/1013916855.db2.gz GRFHLCROYHQWJE-KBPBESRZSA-N 1 3 313.417 0.790 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001448725324 1014012958 /nfs/dbraw/zinc/01/29/58/1014012958.db2.gz CNWMYXAHRSAUCS-LBPRGKRZSA-N 1 3 317.393 0.288 20 0 DCADHO CC(C)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001449033065 1014149193 /nfs/dbraw/zinc/14/91/93/1014149193.db2.gz SJOMZWWYMJHYJA-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001449079162 1014173579 /nfs/dbraw/zinc/17/35/79/1014173579.db2.gz LJVPQGAYPCBJMY-UONOGXRCSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001449185046 1014277922 /nfs/dbraw/zinc/27/79/22/1014277922.db2.gz KKFDHZHFISEHLZ-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CN(CC(=O)NCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001522709867 1014315156 /nfs/dbraw/zinc/31/51/56/1014315156.db2.gz QFUYSLJCQMXHIQ-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)CN(C)C2CCC2)C1 ZINC001449232417 1014327295 /nfs/dbraw/zinc/32/72/95/1014327295.db2.gz GZNCCOZKWQMLIC-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CN(C)C2CCC2)C1 ZINC001449232417 1014327306 /nfs/dbraw/zinc/32/73/06/1014327306.db2.gz GZNCCOZKWQMLIC-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)CN(C)C2CCC2)C1 ZINC001449232420 1014329768 /nfs/dbraw/zinc/32/97/68/1014329768.db2.gz GZNCCOZKWQMLIC-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CN(C)C2CCC2)C1 ZINC001449232420 1014329773 /nfs/dbraw/zinc/32/97/73/1014329773.db2.gz GZNCCOZKWQMLIC-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@H](N(C)C)[C@H](n2ccnn2)C1 ZINC001549674130 1014404606 /nfs/dbraw/zinc/40/46/06/1014404606.db2.gz RKNCAFXVELZTHR-LXTVHRRPSA-N 1 3 320.441 0.464 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@@H](N(C)C)[C@H](n2ccnn2)C1 ZINC001549674130 1014404610 /nfs/dbraw/zinc/40/46/10/1014404610.db2.gz RKNCAFXVELZTHR-LXTVHRRPSA-N 1 3 320.441 0.464 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549745881 1014440647 /nfs/dbraw/zinc/44/06/47/1014440647.db2.gz HLPAXVPXQSDZLS-CRWXNKLISA-N 1 3 305.426 0.546 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001449374056 1014444003 /nfs/dbraw/zinc/44/40/03/1014444003.db2.gz YXOPIDLXEGZVLM-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO c1nn2c(c1CN1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CNCC2 ZINC001549753710 1014444929 /nfs/dbraw/zinc/44/49/29/1014444929.db2.gz PTHPNVHGDSYILJ-MRXNPFEDSA-N 1 3 319.453 0.577 20 0 DCADHO O=C(N[C@H]1C[NH2+]C[C@@H]1c1ccccc1)c1[nH]nc2c1CNCC2 ZINC001550078498 1014553250 /nfs/dbraw/zinc/55/32/50/1014553250.db2.gz XEDBEQMMFJCEEM-DOMZBBRYSA-N 1 3 311.389 0.541 20 0 DCADHO NC1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC2(CCC2)C1 ZINC001550086726 1014556700 /nfs/dbraw/zinc/55/67/00/1014556700.db2.gz BVKQCJUVVLPYNH-LBPRGKRZSA-N 1 3 304.398 0.090 20 0 DCADHO NCc1cn([C@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)C2)nn1 ZINC001550094015 1014562264 /nfs/dbraw/zinc/56/22/64/1014562264.db2.gz HAONBIMTIVOLLW-OCCSQVGLSA-N 1 3 306.414 0.290 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001449660699 1014617377 /nfs/dbraw/zinc/61/73/77/1014617377.db2.gz NWJUTTOTDNOXDO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC001550202673 1014626616 /nfs/dbraw/zinc/62/66/16/1014626616.db2.gz OYASAJUHVGRRAT-UHFFFAOYSA-N 1 3 322.453 0.448 20 0 DCADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550233447 1014635685 /nfs/dbraw/zinc/63/56/85/1014635685.db2.gz JPEBXOPNGLOJMJ-HLLBOEOZSA-N 1 3 307.438 0.842 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN3C[C@@H](O)C[C@H]3C2)C1 ZINC001550275668 1014645287 /nfs/dbraw/zinc/64/52/87/1014645287.db2.gz FLLDKWKUEAQNRV-IHRRRGAJSA-N 1 3 310.442 0.225 20 0 DCADHO [NH3+][C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC12CC2 ZINC001550290468 1014655155 /nfs/dbraw/zinc/65/51/55/1014655155.db2.gz KCRPCRWYPNFIFG-GJZGRUSLSA-N 1 3 300.406 0.834 20 0 DCADHO Cc1c([C@@H]2CN(C[C@@H]3C[NH2+]C[C@@H]3C)C[C@@H]2C(N)=O)cnn1C ZINC001550349364 1014676283 /nfs/dbraw/zinc/67/62/83/1014676283.db2.gz PNMRNZFFTCGHGB-LVGORTOPSA-N 1 3 305.426 0.085 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550763304 1014852607 /nfs/dbraw/zinc/85/26/07/1014852607.db2.gz LDETWQSJCWBGQD-LSDHHAIUSA-N 1 3 302.422 0.998 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2Cc3ccccc3[C@@H]2N)C1 ZINC001551404309 1015037233 /nfs/dbraw/zinc/03/72/33/1015037233.db2.gz WVPHWTPZMHKUCZ-PVUWLOKVSA-N 1 3 302.422 0.398 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CCC[C@H]1C ZINC001383098004 984671678 /nfs/dbraw/zinc/67/16/78/984671678.db2.gz MSTUTSPWLNHYKN-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001384460950 985600531 /nfs/dbraw/zinc/60/05/31/985600531.db2.gz PPDIYRKJCCXGMQ-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](CC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001531343758 1015146426 /nfs/dbraw/zinc/14/64/26/1015146426.db2.gz CPLPTWGFGMMCHY-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](CC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001531343758 1015146433 /nfs/dbraw/zinc/14/64/33/1015146433.db2.gz CPLPTWGFGMMCHY-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)CC2 ZINC001551581289 1015146323 /nfs/dbraw/zinc/14/63/23/1015146323.db2.gz MPZKVQBSGABPBX-VXSWHIBVSA-N 1 3 322.453 0.809 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C ZINC001385011156 986017894 /nfs/dbraw/zinc/01/78/94/986017894.db2.gz OOAYDNWTBWITDL-KFWWJZLASA-N 1 3 324.469 0.526 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001385300889 986230260 /nfs/dbraw/zinc/23/02/60/986230260.db2.gz ONPDVYUUWVPUEK-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001385735907 986559025 /nfs/dbraw/zinc/55/90/25/986559025.db2.gz MILUKFVCSKESMO-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)CCC[NH+](C)C)C2)CCC1 ZINC001385744648 986564181 /nfs/dbraw/zinc/56/41/81/986564181.db2.gz ZNEBCCYXVIRFSU-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO COCCN1CCC(NC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552151519 1015293146 /nfs/dbraw/zinc/29/31/46/1015293146.db2.gz ZHXUUOBWFMUCPT-CVEARBPZSA-N 1 3 309.454 0.849 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001450713311 1015315042 /nfs/dbraw/zinc/31/50/42/1015315042.db2.gz FRTDYDPTIJSEFP-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001387394753 987805797 /nfs/dbraw/zinc/80/57/97/987805797.db2.gz YHHBHVGEMOLNFP-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001450765841 1015346093 /nfs/dbraw/zinc/34/60/93/1015346093.db2.gz XZXLFBDNIIHUPO-KKUMJFAQSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001387754801 988122241 /nfs/dbraw/zinc/12/22/41/988122241.db2.gz DUZZZLJNVZBALQ-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001387754801 988122245 /nfs/dbraw/zinc/12/22/45/988122245.db2.gz DUZZZLJNVZBALQ-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001387758020 988124517 /nfs/dbraw/zinc/12/45/17/988124517.db2.gz NZTYNCVOIBAAIH-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001387758020 988124519 /nfs/dbraw/zinc/12/45/19/988124519.db2.gz NZTYNCVOIBAAIH-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC001387782222 988144943 /nfs/dbraw/zinc/14/49/43/988144943.db2.gz XETXVXNNXQCUQM-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001388758012 988562254 /nfs/dbraw/zinc/56/22/54/988562254.db2.gz NKSTWTMYJCMVMJ-MELADBBJSA-N 1 3 312.458 0.336 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001388788507 988594968 /nfs/dbraw/zinc/59/49/68/988594968.db2.gz DFQSOAOPSQVULR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN1C(=O)N[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC001552414161 1015421233 /nfs/dbraw/zinc/42/12/33/1015421233.db2.gz AGXMMRSDDPKBDN-HZPDHXFCSA-N 1 3 300.406 0.930 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001389413555 989218800 /nfs/dbraw/zinc/21/88/00/989218800.db2.gz HTBOLLVQVYKZCG-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001389413555 989218806 /nfs/dbraw/zinc/21/88/06/989218806.db2.gz HTBOLLVQVYKZCG-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CC[C@H](C)C1 ZINC001389526850 989364776 /nfs/dbraw/zinc/36/47/76/989364776.db2.gz WJWKKSNUUBRVHY-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001389705974 989505597 /nfs/dbraw/zinc/50/55/97/989505597.db2.gz AILRGFKJJVOBCH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001389705974 989505600 /nfs/dbraw/zinc/50/56/00/989505600.db2.gz AILRGFKJJVOBCH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@@H]1n1ccnn1 ZINC001552679608 1015489008 /nfs/dbraw/zinc/48/90/08/1015489008.db2.gz GYKLXCVYGDXFQS-MNOVXSKESA-N 1 3 318.406 0.010 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001389901708 989672551 /nfs/dbraw/zinc/67/25/51/989672551.db2.gz STFNOAXAZDIQSR-XUXIUFHCSA-N 1 3 320.441 0.342 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001390023038 989754020 /nfs/dbraw/zinc/75/40/20/989754020.db2.gz CMTMKRLLRUNZRJ-GASCZTMLSA-N 1 3 320.437 0.462 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001390082843 989803547 /nfs/dbraw/zinc/80/35/47/989803547.db2.gz HPTHNSZFGFGNTK-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NCC1CC1 ZINC001390359595 990025863 /nfs/dbraw/zinc/02/58/63/990025863.db2.gz JJZCLJGSARXPPO-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NCC1CC1 ZINC001390359595 990025872 /nfs/dbraw/zinc/02/58/72/990025872.db2.gz JJZCLJGSARXPPO-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001390503323 990156821 /nfs/dbraw/zinc/15/68/21/990156821.db2.gz DYEUCRSYZQAQDL-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001390511948 990162515 /nfs/dbraw/zinc/16/25/15/990162515.db2.gz VQJRMKIFFLIHRO-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001390524493 990173710 /nfs/dbraw/zinc/17/37/10/990173710.db2.gz OCMYZNKVINDGFJ-LLVKDONJSA-N 1 3 304.398 0.331 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001390575825 990211668 /nfs/dbraw/zinc/21/16/68/990211668.db2.gz GUEDEICKCWEBIL-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001390575825 990211679 /nfs/dbraw/zinc/21/16/79/990211679.db2.gz GUEDEICKCWEBIL-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC001552851141 1015552347 /nfs/dbraw/zinc/55/23/47/1015552347.db2.gz LQVZERCSMXQWSR-FUHWJXTLSA-N 1 3 320.481 0.757 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001451047677 1015556732 /nfs/dbraw/zinc/55/67/32/1015556732.db2.gz HXEPWXMRPOCOBD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001451047677 1015556737 /nfs/dbraw/zinc/55/67/37/1015556737.db2.gz HXEPWXMRPOCOBD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001451057531 1015563996 /nfs/dbraw/zinc/56/39/96/1015563996.db2.gz UBMJGQXNFVGOPC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001451057531 1015564006 /nfs/dbraw/zinc/56/40/06/1015564006.db2.gz UBMJGQXNFVGOPC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001391106068 990591671 /nfs/dbraw/zinc/59/16/71/990591671.db2.gz NBDVJULFPSFZMM-GJZGRUSLSA-N 1 3 322.457 0.302 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001391106068 990591677 /nfs/dbraw/zinc/59/16/77/990591677.db2.gz NBDVJULFPSFZMM-GJZGRUSLSA-N 1 3 322.457 0.302 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001391121187 990604382 /nfs/dbraw/zinc/60/43/82/990604382.db2.gz YCCQDRDAPLMLLQ-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CCN[C@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001391219712 990680293 /nfs/dbraw/zinc/68/02/93/990680293.db2.gz LRLQEUSUPYJJJK-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN[C@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391219712 990680296 /nfs/dbraw/zinc/68/02/96/990680296.db2.gz LRLQEUSUPYJJJK-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H](CC)C(N)=O)C1 ZINC001391222230 990682119 /nfs/dbraw/zinc/68/21/19/990682119.db2.gz FERAIMXJPFUPCF-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H](CC)C(N)=O)C1 ZINC001391222230 990682122 /nfs/dbraw/zinc/68/21/22/990682122.db2.gz FERAIMXJPFUPCF-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001391224765 990683130 /nfs/dbraw/zinc/68/31/30/990683130.db2.gz HLGACPVWXDOMAX-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001391224765 990683136 /nfs/dbraw/zinc/68/31/36/990683136.db2.gz HLGACPVWXDOMAX-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391355620 990776961 /nfs/dbraw/zinc/77/69/61/990776961.db2.gz OQXUOGQMQGIDCN-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391355620 990776964 /nfs/dbraw/zinc/77/69/64/990776964.db2.gz OQXUOGQMQGIDCN-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[C@H]2[C@@H]1CCCN2C ZINC001553043008 1015601573 /nfs/dbraw/zinc/60/15/73/1015601573.db2.gz SHENGBVKARVLRK-ILXRZTDVSA-N 1 3 319.457 0.830 20 0 DCADHO CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[C@H]2[C@@H]1CCCN2C ZINC001553043008 1015601580 /nfs/dbraw/zinc/60/15/80/1015601580.db2.gz SHENGBVKARVLRK-ILXRZTDVSA-N 1 3 319.457 0.830 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001391626096 991031712 /nfs/dbraw/zinc/03/17/12/991031712.db2.gz WWDJXXZCJHLHLN-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cnc(C)nc1 ZINC001391747127 991154309 /nfs/dbraw/zinc/15/43/09/991154309.db2.gz ZMCFCILDFNDBHU-OAHLLOKOSA-N 1 3 317.437 0.865 20 0 DCADHO C[C@@H](NC[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)c1cnccn1 ZINC001391950882 991321543 /nfs/dbraw/zinc/32/15/43/991321543.db2.gz PRRQHGFVCIXRHX-UONOGXRCSA-N 1 3 317.437 0.975 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001392138629 991535845 /nfs/dbraw/zinc/53/58/45/991535845.db2.gz OQCUQJAQDBLEAB-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001392137885 991535893 /nfs/dbraw/zinc/53/58/93/991535893.db2.gz KWTZLGWZFWKWGQ-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@H]1CCNC1=O ZINC001392179013 991581836 /nfs/dbraw/zinc/58/18/36/991581836.db2.gz KLXHRMBEZCWQSE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001392597738 992142360 /nfs/dbraw/zinc/14/23/60/992142360.db2.gz SYUAKVKNTHHHKV-AXFHLTTASA-N 1 3 313.364 0.734 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(=O)N(C)C ZINC001393059319 992657520 /nfs/dbraw/zinc/65/75/20/992657520.db2.gz ZJQQLTVGNIYCJR-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001393059323 992657596 /nfs/dbraw/zinc/65/75/96/992657596.db2.gz ZJQQLTVGNIYCJR-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001393080257 992668330 /nfs/dbraw/zinc/66/83/30/992668330.db2.gz DDPWGQRLWOEQJP-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@H+](CC2CCC2)C1 ZINC001393291703 992846024 /nfs/dbraw/zinc/84/60/24/992846024.db2.gz NRXHOYVWJAZANR-INIZCTEOSA-N 1 3 306.410 0.614 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CCC2)C1 ZINC001393291703 992846031 /nfs/dbraw/zinc/84/60/31/992846031.db2.gz NRXHOYVWJAZANR-INIZCTEOSA-N 1 3 306.410 0.614 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]2CNC(=O)CC[NH+](C)C)CC1 ZINC001393450802 993000432 /nfs/dbraw/zinc/00/04/32/993000432.db2.gz FOCARAZNDWHLBZ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001393474078 993019719 /nfs/dbraw/zinc/01/97/19/993019719.db2.gz QDUGLOCBYFOFSQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1ccnc1CNC1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001393740723 993215185 /nfs/dbraw/zinc/21/51/85/993215185.db2.gz YQRQWVOBUFRBLX-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1cncn1C ZINC001393744723 993217864 /nfs/dbraw/zinc/21/78/64/993217864.db2.gz FLWKHUOMZZRGAU-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCn1cncn1 ZINC001393979970 993390034 /nfs/dbraw/zinc/39/00/34/993390034.db2.gz LSZCBAUAFKHDIJ-QWRGUYRKSA-N 1 3 305.386 0.035 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001394139076 993510315 /nfs/dbraw/zinc/51/03/15/993510315.db2.gz VVQPYJGWHXSVMG-SWLSCSKDSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001394139076 993510319 /nfs/dbraw/zinc/51/03/19/993510319.db2.gz VVQPYJGWHXSVMG-SWLSCSKDSA-N 1 3 322.457 0.283 20 0 DCADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)CCn1cccn1 ZINC001399581843 993585079 /nfs/dbraw/zinc/58/50/79/993585079.db2.gz VWXZTNBBCYBYEF-UHFFFAOYSA-N 1 3 307.442 0.663 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001394461853 993731477 /nfs/dbraw/zinc/73/14/77/993731477.db2.gz HJIDGAIAWXNDJM-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001394561043 993830127 /nfs/dbraw/zinc/83/01/27/993830127.db2.gz UBXMVJFNGHVEGD-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]CC1CC(F)(F)C1 ZINC001394646054 993959922 /nfs/dbraw/zinc/95/99/22/993959922.db2.gz NAHRWKWCTSDOTG-GFCCVEGCSA-N 1 3 307.385 0.439 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001399967014 993997793 /nfs/dbraw/zinc/99/77/93/993997793.db2.gz AVVWXARRANXTQM-VHDGCEQUSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)[C@H]1C ZINC001394674565 994007368 /nfs/dbraw/zinc/00/73/68/994007368.db2.gz JCERLBRXKSKWGN-GDBMZVCRSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCn2cncn2)C[C@H]1C ZINC001394678680 994014543 /nfs/dbraw/zinc/01/45/43/994014543.db2.gz JLHWBDHDJLGNHP-ZIAGYGMSSA-N 1 3 308.430 0.197 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CCO)c2ccccc2)CCC1 ZINC001400090045 994146628 /nfs/dbraw/zinc/14/66/28/994146628.db2.gz SQXWZWSVWTWSAH-OAHLLOKOSA-N 1 3 305.422 0.910 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC001394784965 994148187 /nfs/dbraw/zinc/14/81/87/994148187.db2.gz AZNLEBXEOSGDDK-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC001394784965 994148192 /nfs/dbraw/zinc/14/81/92/994148192.db2.gz AZNLEBXEOSGDDK-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001400487650 994575195 /nfs/dbraw/zinc/57/51/95/994575195.db2.gz XOBYTHORXXPAFR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001400487650 994575206 /nfs/dbraw/zinc/57/52/06/994575206.db2.gz XOBYTHORXXPAFR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CN(C[C@H](O)C2CCCCC2)C1 ZINC001400530147 994620290 /nfs/dbraw/zinc/62/02/90/994620290.db2.gz VGYJMZZCRVUIMT-INIZCTEOSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001400811110 994960604 /nfs/dbraw/zinc/96/06/04/994960604.db2.gz IOBKEFIASCXTAF-JSGCOSHPSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001400811110 994960611 /nfs/dbraw/zinc/96/06/11/994960611.db2.gz IOBKEFIASCXTAF-JSGCOSHPSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001400873259 995028125 /nfs/dbraw/zinc/02/81/25/995028125.db2.gz YVCLUJFFEVEJJX-IUODEOHRSA-N 1 3 303.422 0.676 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001400901587 995049639 /nfs/dbraw/zinc/04/96/39/995049639.db2.gz UDWRUIXBBDIXMC-MRXNPFEDSA-N 1 3 321.425 0.320 20 0 DCADHO CNC(=O)CNC[C@@](C)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001401018714 995117188 /nfs/dbraw/zinc/11/71/88/995117188.db2.gz HLSONXVZKCIWIG-QGZVFWFLSA-N 1 3 324.469 0.483 20 0 DCADHO NC(=O)CNC[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001401090483 995165468 /nfs/dbraw/zinc/16/54/68/995165468.db2.gz MHDUBZUFTXLYCC-OAHLLOKOSA-N 1 3 322.453 0.174 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001401097742 995173450 /nfs/dbraw/zinc/17/34/50/995173450.db2.gz NMASUFCTPHBMJD-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001396931975 995691157 /nfs/dbraw/zinc/69/11/57/995691157.db2.gz BHTLFFKDGQDRHB-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001396931975 995691160 /nfs/dbraw/zinc/69/11/60/995691160.db2.gz BHTLFFKDGQDRHB-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001397462272 996013652 /nfs/dbraw/zinc/01/36/52/996013652.db2.gz UMJHIVQMYIQTPH-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398574770 996582130 /nfs/dbraw/zinc/58/21/30/996582130.db2.gz MBMNIVFXBVVACS-HDJSIYSDSA-N 1 3 320.441 0.428 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001502761974 1016060496 /nfs/dbraw/zinc/06/04/96/1016060496.db2.gz ITWDBNALWTWFNA-HIFRSBDPSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001398931529 996757159 /nfs/dbraw/zinc/75/71/59/996757159.db2.gz XIJRXFPONZIJOS-GXTWGEPZSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001398931529 996757162 /nfs/dbraw/zinc/75/71/62/996757162.db2.gz XIJRXFPONZIJOS-GXTWGEPZSA-N 1 3 310.442 0.232 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001404312287 996959386 /nfs/dbraw/zinc/95/93/86/996959386.db2.gz FXCXOCHYQKEDBD-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001404562127 997237705 /nfs/dbraw/zinc/23/77/05/997237705.db2.gz QVHKPAYSQRJONI-QGZVFWFLSA-N 1 3 322.497 0.813 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001399388419 997299838 /nfs/dbraw/zinc/29/98/38/997299838.db2.gz HQIDZWZOXCHDQT-KGLIPLIRSA-N 1 3 308.430 0.104 20 0 DCADHO CN(CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1)CC(C)(C)C ZINC001507232073 1016157651 /nfs/dbraw/zinc/15/76/51/1016157651.db2.gz IULZULDAHFLMIW-KGLIPLIRSA-N 1 3 315.458 0.068 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001503593295 1016166218 /nfs/dbraw/zinc/16/62/18/1016166218.db2.gz WVNVSBOWZDOYHS-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001503593295 1016166224 /nfs/dbraw/zinc/16/62/24/1016166224.db2.gz WVNVSBOWZDOYHS-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@H]1CCCN(C)C1=O ZINC001405354024 998144553 /nfs/dbraw/zinc/14/45/53/998144553.db2.gz NUTHWEYXILSBSG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccnn1C ZINC001405376277 998168988 /nfs/dbraw/zinc/16/89/88/998168988.db2.gz LTMGHEOGIBSQEA-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCCNC1=O ZINC001405658612 998444741 /nfs/dbraw/zinc/44/47/41/998444741.db2.gz BSNGTIGIUVXZCY-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001405770220 998548003 /nfs/dbraw/zinc/54/80/03/998548003.db2.gz AOSILKWNVVGOOA-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001405770220 998548012 /nfs/dbraw/zinc/54/80/12/998548012.db2.gz AOSILKWNVVGOOA-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001405774965 998550885 /nfs/dbraw/zinc/55/08/85/998550885.db2.gz PJWGHYPJASPEDA-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001405774965 998550891 /nfs/dbraw/zinc/55/08/91/998550891.db2.gz PJWGHYPJASPEDA-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)[C@H]1C ZINC001507297380 1016229544 /nfs/dbraw/zinc/22/95/44/1016229544.db2.gz MPUIANMSXGTPCL-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)on1 ZINC001401133435 1000217956 /nfs/dbraw/zinc/21/79/56/1000217956.db2.gz FSSLXXHTBHJLIY-STQMWFEESA-N 1 3 324.425 0.867 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)on1 ZINC001401133435 1000217960 /nfs/dbraw/zinc/21/79/60/1000217960.db2.gz FSSLXXHTBHJLIY-STQMWFEESA-N 1 3 324.425 0.867 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C[C@H]2CCc3ncnn32)C1 ZINC001418496272 1000283759 /nfs/dbraw/zinc/28/37/59/1000283759.db2.gz RFSOPPJSNRRPDQ-UONOGXRCSA-N 1 3 320.441 0.155 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C[C@H]2CCc3ncnn32)C1 ZINC001418496272 1000283764 /nfs/dbraw/zinc/28/37/64/1000283764.db2.gz RFSOPPJSNRRPDQ-UONOGXRCSA-N 1 3 320.441 0.155 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401235901 1000297019 /nfs/dbraw/zinc/29/70/19/1000297019.db2.gz DUIORFOTOIHBBT-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001418639749 1000412598 /nfs/dbraw/zinc/41/25/98/1000412598.db2.gz OGMUJTWJILRRBM-OKILXGFUSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001418683285 1000448894 /nfs/dbraw/zinc/44/88/94/1000448894.db2.gz AUBOUKQRRDUORX-IIAWOOMASA-N 1 3 324.469 0.289 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1)CC(C)(C)C ZINC001418780720 1000514367 /nfs/dbraw/zinc/51/43/67/1000514367.db2.gz MALAOYLEDGVNFV-CABCVRRESA-N 1 3 311.470 0.737 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1)CC(C)(C)C ZINC001418780720 1000514373 /nfs/dbraw/zinc/51/43/73/1000514373.db2.gz MALAOYLEDGVNFV-CABCVRRESA-N 1 3 311.470 0.737 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401636839 1000574721 /nfs/dbraw/zinc/57/47/21/1000574721.db2.gz FRKTWSOXBRDEGQ-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401636839 1000574726 /nfs/dbraw/zinc/57/47/26/1000574726.db2.gz FRKTWSOXBRDEGQ-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001401665924 1000605559 /nfs/dbraw/zinc/60/55/59/1000605559.db2.gz GNMCYWMBSBOHCK-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CCN1CC[C@@H](N(C)C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001418936510 1000631354 /nfs/dbraw/zinc/63/13/54/1000631354.db2.gz GQICSTBMWOTKBJ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@H]1CCCNC1=O ZINC001418939346 1000634507 /nfs/dbraw/zinc/63/45/07/1000634507.db2.gz MMRFOWVYQQAJDE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCc3ccnn3C)CC2)CCC1 ZINC001401950686 1000894168 /nfs/dbraw/zinc/89/41/68/1000894168.db2.gz UWPWQHDXZAUJCD-UHFFFAOYSA-N 1 3 319.453 0.685 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(C)C ZINC001419236391 1000904674 /nfs/dbraw/zinc/90/46/74/1000904674.db2.gz AMKWECSMSCXMPM-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C(C)C ZINC001419293531 1000954923 /nfs/dbraw/zinc/95/49/23/1000954923.db2.gz XHVCJLBGMCSCMM-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C(C)C ZINC001419293531 1000954928 /nfs/dbraw/zinc/95/49/28/1000954928.db2.gz XHVCJLBGMCSCMM-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)N1CCCCCC1 ZINC001419338857 1000986681 /nfs/dbraw/zinc/98/66/81/1000986681.db2.gz COGDVEGOOMDZJZ-DYVFJYSZSA-N 1 3 324.469 0.611 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001419367085 1001003379 /nfs/dbraw/zinc/00/33/79/1001003379.db2.gz MQQAUFALZMHPEV-MELADBBJSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001419370005 1001004742 /nfs/dbraw/zinc/00/47/42/1001004742.db2.gz VZVUAXRGWMFMGG-XBFCOCLRSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC1)C(N)=O ZINC001419384682 1001012662 /nfs/dbraw/zinc/01/26/62/1001012662.db2.gz LXMLQZNYKSYCNG-SYQHCUMBSA-N 1 3 312.458 0.608 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001402175376 1001086131 /nfs/dbraw/zinc/08/61/31/1001086131.db2.gz YGYABIFYXLNSDN-FMKPAKJESA-N 1 3 315.458 0.162 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419559858 1001141078 /nfs/dbraw/zinc/14/10/78/1001141078.db2.gz GJEORAFDQYLGPD-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2cn(C)nn2)C1 ZINC001402421904 1001294248 /nfs/dbraw/zinc/29/42/48/1001294248.db2.gz QSZYZHFEAGYPCR-KGLIPLIRSA-N 1 3 322.457 0.341 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2cn(C)nn2)C1 ZINC001402421904 1001294252 /nfs/dbraw/zinc/29/42/52/1001294252.db2.gz QSZYZHFEAGYPCR-KGLIPLIRSA-N 1 3 322.457 0.341 20 0 DCADHO Cc1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)nn1C ZINC001402425605 1001295065 /nfs/dbraw/zinc/29/50/65/1001295065.db2.gz WBMWPDLFTSIYOQ-DZGCQCFKSA-N 1 3 321.469 0.864 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001402424945 1001295956 /nfs/dbraw/zinc/29/59/56/1001295956.db2.gz RXDKNRDFZZIYGU-HRCADAONSA-N 1 3 309.454 0.755 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001402424945 1001295965 /nfs/dbraw/zinc/29/59/65/1001295965.db2.gz RXDKNRDFZZIYGU-HRCADAONSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)CC1CC1 ZINC001419778557 1001300838 /nfs/dbraw/zinc/30/08/38/1001300838.db2.gz RLYWTGUUNSJTKY-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001419810852 1001326485 /nfs/dbraw/zinc/32/64/85/1001326485.db2.gz BZAYHIFBBQOGLY-DZGCQCFKSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](O)CCCN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402460296 1001330849 /nfs/dbraw/zinc/33/08/49/1001330849.db2.gz HHDHZKVWSPLARY-HOCLYGCPSA-N 1 3 315.458 0.042 20 0 DCADHO C[C@@H](F)CCN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402474860 1001344270 /nfs/dbraw/zinc/34/42/70/1001344270.db2.gz XHVKRCLUXSVPLF-HIFRSBDPSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001419876345 1001377147 /nfs/dbraw/zinc/37/71/47/1001377147.db2.gz ISPWNKMBKMWCRC-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H]1CCNC1=O ZINC001419928132 1001413225 /nfs/dbraw/zinc/41/32/25/1001413225.db2.gz KLQMWGIQZOECOV-IUODEOHRSA-N 1 3 318.421 0.345 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001402794525 1001504906 /nfs/dbraw/zinc/50/49/06/1001504906.db2.gz QCKFMMNQBOUJPV-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnnn1C ZINC001402827091 1001519490 /nfs/dbraw/zinc/51/94/90/1001519490.db2.gz ZYMJTHCMUACACO-LBPRGKRZSA-N 1 3 308.430 0.284 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402888195 1001558809 /nfs/dbraw/zinc/55/88/09/1001558809.db2.gz UGLQXDHINXYZSN-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)NC1CC(CNCC(=O)Nc2ccon2)C1 ZINC001402956378 1001601438 /nfs/dbraw/zinc/60/14/38/1001601438.db2.gz QSFNGQUTIUIIOH-UHFFFAOYSA-N 1 3 323.397 0.049 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)NCC)C1 ZINC001402987203 1001619875 /nfs/dbraw/zinc/61/98/75/1001619875.db2.gz SLJVAPHFZHOLQX-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)NCC)C1 ZINC001402987203 1001619877 /nfs/dbraw/zinc/61/98/77/1001619877.db2.gz SLJVAPHFZHOLQX-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCn1cncn1 ZINC001403028966 1001639256 /nfs/dbraw/zinc/63/92/56/1001639256.db2.gz TUHILSUFHVROIS-CHWSQXEVSA-N 1 3 308.430 0.245 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001403076605 1001663220 /nfs/dbraw/zinc/66/32/20/1001663220.db2.gz DMXSYYBAJHZCIR-AWEZNQCLSA-N 1 3 324.473 0.730 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001403084888 1001667062 /nfs/dbraw/zinc/66/70/62/1001667062.db2.gz MYOKVYGGIFKZMG-HIFRSBDPSA-N 1 3 309.458 0.934 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001403105397 1001675518 /nfs/dbraw/zinc/67/55/18/1001675518.db2.gz YKHLHVGKYAVIMM-WPRPVWTQSA-N 1 3 322.331 0.668 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001403231560 1001751757 /nfs/dbraw/zinc/75/17/57/1001751757.db2.gz NXTKUPVBICGLIY-ILXRZTDVSA-N 1 3 315.458 0.018 20 0 DCADHO Cc1nnc([C@H](C)NC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001403256752 1001765970 /nfs/dbraw/zinc/76/59/70/1001765970.db2.gz SVUXUAMCLLJOTP-JSGCOSHPSA-N 1 3 322.457 0.954 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CNCc2cc(OC)no2)C1 ZINC001403278417 1001777952 /nfs/dbraw/zinc/77/79/52/1001777952.db2.gz RVJCPVNRKLWGQL-CYBMUJFWSA-N 1 3 324.425 0.963 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNCc2cc(OC)no2)C1 ZINC001403278417 1001777955 /nfs/dbraw/zinc/77/79/55/1001777955.db2.gz RVJCPVNRKLWGQL-CYBMUJFWSA-N 1 3 324.425 0.963 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001505759852 1016533225 /nfs/dbraw/zinc/53/32/25/1016533225.db2.gz CCRKNTWYOJJLFD-QWHCGFSZSA-N 1 3 324.473 0.718 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001424676445 1001907555 /nfs/dbraw/zinc/90/75/55/1001907555.db2.gz JBRDYEHJRLVBFN-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccnn1C ZINC001403447741 1001969268 /nfs/dbraw/zinc/96/92/68/1001969268.db2.gz SHWQBKHDEMKDEW-CABCVRRESA-N 1 3 321.469 0.789 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001424777738 1002016369 /nfs/dbraw/zinc/01/63/69/1002016369.db2.gz GEHBEEIEZQFJRM-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)NCC(N)=O ZINC001403596038 1002184996 /nfs/dbraw/zinc/18/49/96/1002184996.db2.gz IHPPKEFUQVEUOQ-ZDUSSCGKSA-N 1 3 320.437 0.326 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001403633479 1002239594 /nfs/dbraw/zinc/23/95/94/1002239594.db2.gz RSLCRPRAOIHZDW-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001420340423 1002247726 /nfs/dbraw/zinc/24/77/26/1002247726.db2.gz QOQUPRPHOKMUBV-VXGBXAGGSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001420433020 1002410383 /nfs/dbraw/zinc/41/03/83/1002410383.db2.gz AFYUFXIKQJRNGZ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001508038389 1016617884 /nfs/dbraw/zinc/61/78/84/1016617884.db2.gz QPGURZWWPSVGAL-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001403737507 1002444074 /nfs/dbraw/zinc/44/40/74/1002444074.db2.gz DGVVDTACKLDOQD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NC(C)(C)C)CN1C(=O)CC[NH+](C)C ZINC001403745333 1002457282 /nfs/dbraw/zinc/45/72/82/1002457282.db2.gz NNUWFHLEANPSGW-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001420469001 1002459720 /nfs/dbraw/zinc/45/97/20/1002459720.db2.gz MFRJQXYWUFJUCL-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001420466986 1002461908 /nfs/dbraw/zinc/46/19/08/1002461908.db2.gz FKWVQOKRIXUKKC-WFASDCNBSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001425415978 1002657487 /nfs/dbraw/zinc/65/74/87/1002657487.db2.gz RHIVENNQYYJRHV-HDJSIYSDSA-N 1 3 307.442 0.745 20 0 DCADHO CCCN(CCNC(=O)C1CC[NH+](C)CC1)CCn1cncn1 ZINC001420609737 1002682563 /nfs/dbraw/zinc/68/25/63/1002682563.db2.gz SKHZVMZNEVYOIG-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001425530166 1002771669 /nfs/dbraw/zinc/77/16/69/1002771669.db2.gz ZOIFEPGVRSHZGF-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC001508146392 1016670209 /nfs/dbraw/zinc/67/02/09/1016670209.db2.gz ZPVIPITZMIEGAI-UHFFFAOYSA-N 1 3 308.430 0.199 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001420718504 1002848508 /nfs/dbraw/zinc/84/85/08/1002848508.db2.gz UBNFLTMFYYUXRY-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001420718504 1002848525 /nfs/dbraw/zinc/84/85/25/1002848525.db2.gz UBNFLTMFYYUXRY-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CCC[NH+]1CCCC1)C(=O)N(C)C ZINC001420742169 1002902346 /nfs/dbraw/zinc/90/23/46/1002902346.db2.gz KHNRYOBPVVIBEF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](NCCN(C)C(=O)CCC[NH+]1CCCC1)C(=O)N(C)C ZINC001420742164 1002902593 /nfs/dbraw/zinc/90/25/93/1002902593.db2.gz KHNRYOBPVVIBEF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001420789993 1002949311 /nfs/dbraw/zinc/94/93/11/1002949311.db2.gz XJGFWTUJUVDGGP-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420789993 1002949313 /nfs/dbraw/zinc/94/93/13/1002949313.db2.gz XJGFWTUJUVDGGP-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1ncc(CNC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001420789721 1002950998 /nfs/dbraw/zinc/95/09/98/1002950998.db2.gz QXNWKZZPLXIKFU-HZPDHXFCSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CNC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001420789721 1002951005 /nfs/dbraw/zinc/95/10/05/1002951005.db2.gz QXNWKZZPLXIKFU-HZPDHXFCSA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001404100073 1003007829 /nfs/dbraw/zinc/00/78/29/1003007829.db2.gz HKGYEGQEZAHYSJ-HNNXBMFYSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001404100073 1003007838 /nfs/dbraw/zinc/00/78/38/1003007838.db2.gz HKGYEGQEZAHYSJ-HNNXBMFYSA-N 1 3 321.469 0.741 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CC[C@@H]2CCOC2)CC1 ZINC001420856073 1003039444 /nfs/dbraw/zinc/03/94/44/1003039444.db2.gz ATWGXPMQIQPRHQ-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](F)CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001425800171 1003125554 /nfs/dbraw/zinc/12/55/54/1003125554.db2.gz VVSZNXWJIRMKJB-QWHCGFSZSA-N 1 3 303.422 0.676 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001405854795 1003143744 /nfs/dbraw/zinc/14/37/44/1003143744.db2.gz DNJIDTIJPRHJGF-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001405854795 1003143752 /nfs/dbraw/zinc/14/37/52/1003143752.db2.gz DNJIDTIJPRHJGF-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001405885450 1003171961 /nfs/dbraw/zinc/17/19/61/1003171961.db2.gz FMNNWKFINHZJHM-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)C1=O ZINC001405901253 1003185949 /nfs/dbraw/zinc/18/59/49/1003185949.db2.gz DGSYNDIQAVOVPE-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001405916740 1003191929 /nfs/dbraw/zinc/19/19/29/1003191929.db2.gz OECYNMUJKJZHIO-CQSZACIVSA-N 1 3 322.453 0.662 20 0 DCADHO CC(C)C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001405929167 1003200112 /nfs/dbraw/zinc/20/01/12/1003200112.db2.gz NUPPSXSTHLSBGP-KGLIPLIRSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@H]2CCCN(C)C2=O)CC1)[NH+](C)C ZINC001420993023 1003214105 /nfs/dbraw/zinc/21/41/05/1003214105.db2.gz GDDFVCQZSQPMQL-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1[C@H](NCc2cncn2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001425891364 1003230578 /nfs/dbraw/zinc/23/05/78/1003230578.db2.gz XRGTZSASSFECHP-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001421040733 1003260120 /nfs/dbraw/zinc/26/01/20/1003260120.db2.gz SRGGDAASILEXJV-WMLDXEAASA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001421127478 1003357439 /nfs/dbraw/zinc/35/74/39/1003357439.db2.gz QBAQGUVLZCKINH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC1 ZINC001426151149 1003467682 /nfs/dbraw/zinc/46/76/82/1003467682.db2.gz OIHKCQZRJBLPBD-ZDUSSCGKSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H](O)CN1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001421310544 1003527210 /nfs/dbraw/zinc/52/72/10/1003527210.db2.gz FFOVXVMZYRYIJO-ZIAGYGMSSA-N 1 3 313.442 0.011 20 0 DCADHO Cc1noc(CCCN2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)n1 ZINC001421315675 1003533896 /nfs/dbraw/zinc/53/38/96/1003533896.db2.gz XRURTSOHKVWFET-AWEZNQCLSA-N 1 3 323.441 0.795 20 0 DCADHO CC1CC(C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001406257293 1003536504 /nfs/dbraw/zinc/53/65/04/1003536504.db2.gz PFIQBRBFEARACZ-YMAMQOFZSA-N 1 3 311.470 0.974 20 0 DCADHO Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C)c(C)n1 ZINC001406305794 1003588825 /nfs/dbraw/zinc/58/88/25/1003588825.db2.gz OQSWRWJYAYBRNN-MRXNPFEDSA-N 1 3 322.453 0.605 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001406319491 1003601802 /nfs/dbraw/zinc/60/18/02/1003601802.db2.gz QYLZWRZMLSBUGB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001406325038 1003606862 /nfs/dbraw/zinc/60/68/62/1003606862.db2.gz HOGNWGNXVKNRSY-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001426161975 1003628873 /nfs/dbraw/zinc/62/88/73/1003628873.db2.gz GIOIWLIDIMUWHU-DZGCQCFKSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001426161975 1003628876 /nfs/dbraw/zinc/62/88/76/1003628876.db2.gz GIOIWLIDIMUWHU-DZGCQCFKSA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2cncn2C)CC[N@@H+]1C ZINC001406360100 1003639541 /nfs/dbraw/zinc/63/95/41/1003639541.db2.gz NRIMBAGDWANJQH-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2cncn2C)CC[N@H+]1C ZINC001406360100 1003639544 /nfs/dbraw/zinc/63/95/44/1003639544.db2.gz NRIMBAGDWANJQH-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001406482773 1003754652 /nfs/dbraw/zinc/75/46/52/1003754652.db2.gz POYMFVCZMCNIRF-AVGNSLFASA-N 1 3 300.447 0.144 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC2CC2)C1 ZINC001406519163 1003782159 /nfs/dbraw/zinc/78/21/59/1003782159.db2.gz OODJITAPKDKRFI-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC2CC2)C1 ZINC001406519163 1003782165 /nfs/dbraw/zinc/78/21/65/1003782165.db2.gz OODJITAPKDKRFI-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001406529996 1003793551 /nfs/dbraw/zinc/79/35/51/1003793551.db2.gz RBGGRQQNZDTVAR-RYUDHWBXSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406545812 1003817735 /nfs/dbraw/zinc/81/77/35/1003817735.db2.gz YMIFAMZGIIVHFX-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406545812 1003817744 /nfs/dbraw/zinc/81/77/44/1003817744.db2.gz YMIFAMZGIIVHFX-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001406563554 1003850813 /nfs/dbraw/zinc/85/08/13/1003850813.db2.gz RCZIIRPJYSPVOB-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406565359 1003851442 /nfs/dbraw/zinc/85/14/42/1003851442.db2.gz UECIBCPIAVIGRX-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccnn1C)N(C)C ZINC001406699289 1004012537 /nfs/dbraw/zinc/01/25/37/1004012537.db2.gz ULKGAGVACWVCOC-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001406699289 1004012547 /nfs/dbraw/zinc/01/25/47/1004012547.db2.gz ULKGAGVACWVCOC-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CN1CC[C@@H](NC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)C1=O ZINC001406782399 1004088759 /nfs/dbraw/zinc/08/87/59/1004088759.db2.gz RJOHPDNPRRDMDG-ZIAGYGMSSA-N 1 3 322.453 0.043 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001406781239 1004090021 /nfs/dbraw/zinc/09/00/21/1004090021.db2.gz KBVFEXCCEYWHIT-HNNXBMFYSA-N 1 3 322.453 0.078 20 0 DCADHO CC[C@H](C(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001427583257 1004475536 /nfs/dbraw/zinc/47/55/36/1004475536.db2.gz XPKDIYWUZZQUSE-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407368023 1004595865 /nfs/dbraw/zinc/59/58/65/1004595865.db2.gz PDAHDNUPISPWFI-LRDDRELGSA-N 1 3 308.426 0.860 20 0 DCADHO CC[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407368023 1004595868 /nfs/dbraw/zinc/59/58/68/1004595868.db2.gz PDAHDNUPISPWFI-LRDDRELGSA-N 1 3 308.426 0.860 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2nnc(C)[nH]2)C1 ZINC001407546798 1004724461 /nfs/dbraw/zinc/72/44/61/1004724461.db2.gz UPQPESCYUKSPJQ-GXTWGEPZSA-N 1 3 322.457 0.639 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2nnc(C)[nH]2)C1 ZINC001407546798 1004724465 /nfs/dbraw/zinc/72/44/65/1004724465.db2.gz UPQPESCYUKSPJQ-GXTWGEPZSA-N 1 3 322.457 0.639 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001407648438 1004784901 /nfs/dbraw/zinc/78/49/01/1004784901.db2.gz MWKHZLIMQRLZAT-RRFJBIMHSA-N 1 3 315.433 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001407648438 1004784902 /nfs/dbraw/zinc/78/49/02/1004784902.db2.gz MWKHZLIMQRLZAT-RRFJBIMHSA-N 1 3 315.433 0.581 20 0 DCADHO CN(CCC[N@H+](C)CCc1cnn(C)c1)C(=O)Cc1c[nH]cn1 ZINC001407931101 1004948854 /nfs/dbraw/zinc/94/88/54/1004948854.db2.gz XWHCUUULWRBGBK-UHFFFAOYSA-N 1 3 318.425 0.709 20 0 DCADHO CN(CCC[N@@H+](C)CCc1cnn(C)c1)C(=O)Cc1c[nH]cn1 ZINC001407931101 1004948856 /nfs/dbraw/zinc/94/88/56/1004948856.db2.gz XWHCUUULWRBGBK-UHFFFAOYSA-N 1 3 318.425 0.709 20 0 DCADHO CCC1([NH2+]CC(=O)N(C)C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001408002275 1004979794 /nfs/dbraw/zinc/97/97/94/1004979794.db2.gz MANUYSICVGTJPV-UHFFFAOYSA-N 1 3 321.425 0.401 20 0 DCADHO CC[C@H](F)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001408146345 1005075102 /nfs/dbraw/zinc/07/51/02/1005075102.db2.gz PINAYTUAKCITDL-KBPBESRZSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001408316281 1005155866 /nfs/dbraw/zinc/15/58/66/1005155866.db2.gz RWWHVTNTYNIVCF-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001415312309 1005499994 /nfs/dbraw/zinc/49/99/94/1005499994.db2.gz GBHCSZIXTNMSFK-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001415312309 1005499995 /nfs/dbraw/zinc/49/99/95/1005499995.db2.gz GBHCSZIXTNMSFK-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH]cn1 ZINC001415533771 1005555829 /nfs/dbraw/zinc/55/58/29/1005555829.db2.gz YIKZIAIPXISXKO-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)Cc1c[nH]cn1 ZINC001415533771 1005555831 /nfs/dbraw/zinc/55/58/31/1005555831.db2.gz YIKZIAIPXISXKO-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001417084275 1005780823 /nfs/dbraw/zinc/78/08/23/1005780823.db2.gz AFOWMHWZMLYRPQ-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NC(=O)CN2CCC(C)(C)C2)CC1 ZINC001417194932 1005801329 /nfs/dbraw/zinc/80/13/29/1005801329.db2.gz MHJPDKLSNJTZOQ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001417340720 1005823750 /nfs/dbraw/zinc/82/37/50/1005823750.db2.gz IWCXAMFYSVSJGA-INIZCTEOSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001417769157 1005886817 /nfs/dbraw/zinc/88/68/17/1005886817.db2.gz KZPKPMWFNDWSHH-VIRABCJISA-N 1 3 324.469 0.478 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001417824186 1005897359 /nfs/dbraw/zinc/89/73/59/1005897359.db2.gz UZOYGIRXAZJOEI-NXOAAHMSSA-N 1 3 323.481 0.879 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001417824186 1005897361 /nfs/dbraw/zinc/89/73/61/1005897361.db2.gz UZOYGIRXAZJOEI-NXOAAHMSSA-N 1 3 323.481 0.879 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438674936 1006015136 /nfs/dbraw/zinc/01/51/36/1006015136.db2.gz QEXCRTLEBICWDI-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438694269 1006037800 /nfs/dbraw/zinc/03/78/00/1006037800.db2.gz QDBAUJVCFWEGEL-CHWSQXEVSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)C1 ZINC001514722265 1017018765 /nfs/dbraw/zinc/01/87/65/1017018765.db2.gz PVSYTLWIKBSLBP-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001438829374 1006148377 /nfs/dbraw/zinc/14/83/77/1006148377.db2.gz ORQSCHOSBCPABB-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001436388018 1006156846 /nfs/dbraw/zinc/15/68/46/1006156846.db2.gz BLURYMPUIMGGDK-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC[N@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CCCN1C ZINC001438866268 1006178094 /nfs/dbraw/zinc/17/80/94/1006178094.db2.gz ZZGXYKWSYCJYNE-HNNXBMFYSA-N 1 3 320.437 0.370 20 0 DCADHO CN(CC[N@@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CCCN1C ZINC001438866268 1006178099 /nfs/dbraw/zinc/17/80/99/1006178099.db2.gz ZZGXYKWSYCJYNE-HNNXBMFYSA-N 1 3 320.437 0.370 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001418225589 1006201252 /nfs/dbraw/zinc/20/12/52/1006201252.db2.gz IYBJSMNSZVXTHP-GWCFXTLKSA-N 1 3 306.414 0.049 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001418300985 1006333211 /nfs/dbraw/zinc/33/32/11/1006333211.db2.gz KSUKRKFFHQYIRB-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001418300985 1006333228 /nfs/dbraw/zinc/33/32/28/1006333228.db2.gz KSUKRKFFHQYIRB-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]([NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1)C(=O)N(C)C ZINC001436788962 1006364910 /nfs/dbraw/zinc/36/49/10/1006364910.db2.gz LDVCQLIQUXDBLE-WFASDCNBSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1)C1CC1 ZINC001436827392 1006397233 /nfs/dbraw/zinc/39/72/33/1006397233.db2.gz JKHCPJHBEVKXLF-UKRRQHHQSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1)C1CC1 ZINC001436827392 1006397243 /nfs/dbraw/zinc/39/72/43/1006397243.db2.gz JKHCPJHBEVKXLF-UKRRQHHQSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001436899089 1006443166 /nfs/dbraw/zinc/44/31/66/1006443166.db2.gz YTCFFILBKLENOM-IHRRRGAJSA-N 1 3 324.469 0.622 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001436895916 1006443565 /nfs/dbraw/zinc/44/35/65/1006443565.db2.gz NRZWUIBITHISSZ-MGPQQGTHSA-N 1 3 324.469 0.622 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cn1 ZINC001436938052 1006467216 /nfs/dbraw/zinc/46/72/16/1006467216.db2.gz XQAGAJNVLSSSQC-SHTZXODSSA-N 1 3 305.426 0.862 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1)C(=O)N(C)C ZINC001437058120 1006555551 /nfs/dbraw/zinc/55/55/51/1006555551.db2.gz PALLDBSRRHJING-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001437209387 1006711906 /nfs/dbraw/zinc/71/19/06/1006711906.db2.gz QAXMTUVBYXWGMO-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC001437289166 1006804778 /nfs/dbraw/zinc/80/47/78/1006804778.db2.gz DAZXEIAXOZVHJI-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437311281 1006827879 /nfs/dbraw/zinc/82/78/79/1006827879.db2.gz PJWMMZXYCBICNI-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001437321464 1006840121 /nfs/dbraw/zinc/84/01/21/1006840121.db2.gz DPCKUALKZSMIIH-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001439607121 1007068075 /nfs/dbraw/zinc/06/80/75/1007068075.db2.gz LAHUIYKLVKHDKO-BFHYXJOUSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001439607121 1007068090 /nfs/dbraw/zinc/06/80/90/1007068090.db2.gz LAHUIYKLVKHDKO-BFHYXJOUSA-N 1 3 322.453 0.234 20 0 DCADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1)CC(C)(C)C ZINC001439720241 1007151631 /nfs/dbraw/zinc/15/16/31/1007151631.db2.gz HDKKEXFDPMAROR-QGZVFWFLSA-N 1 3 311.470 0.881 20 0 DCADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1)CC(C)(C)C ZINC001439720241 1007151638 /nfs/dbraw/zinc/15/16/38/1007151638.db2.gz HDKKEXFDPMAROR-QGZVFWFLSA-N 1 3 311.470 0.881 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCn1cncn1 ZINC001437594970 1007161276 /nfs/dbraw/zinc/16/12/76/1007161276.db2.gz OQGAKRCORXCJAM-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCn1cncn1 ZINC001437594970 1007161285 /nfs/dbraw/zinc/16/12/85/1007161285.db2.gz OQGAKRCORXCJAM-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001439782739 1007194073 /nfs/dbraw/zinc/19/40/73/1007194073.db2.gz GFLIHMKMTQOYQA-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](CNCC(N)=O)C1CCCC1)[NH+](C)C ZINC001439810552 1007216349 /nfs/dbraw/zinc/21/63/49/1007216349.db2.gz ALNKVTQZOXBASC-HIFRSBDPSA-N 1 3 312.458 0.323 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437913721 1007493172 /nfs/dbraw/zinc/49/31/72/1007493172.db2.gz AZEUKWREBMZNSD-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437913721 1007493175 /nfs/dbraw/zinc/49/31/75/1007493175.db2.gz AZEUKWREBMZNSD-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001440109908 1007495818 /nfs/dbraw/zinc/49/58/18/1007495818.db2.gz AVSCNHXSFOIEOX-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001437921839 1007500897 /nfs/dbraw/zinc/50/08/97/1007500897.db2.gz HKFIPKDNENZKJH-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001437921839 1007500905 /nfs/dbraw/zinc/50/09/05/1007500905.db2.gz HKFIPKDNENZKJH-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001437996081 1007574912 /nfs/dbraw/zinc/57/49/12/1007574912.db2.gz WAFDSGPBFUJPCK-VNHYZAJKSA-N 1 3 324.469 0.371 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001437996081 1007574919 /nfs/dbraw/zinc/57/49/19/1007574919.db2.gz WAFDSGPBFUJPCK-VNHYZAJKSA-N 1 3 324.469 0.371 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001440335059 1007679284 /nfs/dbraw/zinc/67/92/84/1007679284.db2.gz PLXHIELHEWEUQH-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCC(N)=O ZINC001438336282 1007833924 /nfs/dbraw/zinc/83/39/24/1007833924.db2.gz MANQITQNCKQROL-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001440586762 1007903160 /nfs/dbraw/zinc/90/31/60/1007903160.db2.gz FWGYJSJPJYDCFQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCC[C@]1(CNCC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001438431914 1007903227 /nfs/dbraw/zinc/90/32/27/1007903227.db2.gz MFLYOEPQJUDXRQ-SUMWQHHRSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001438433839 1007906387 /nfs/dbraw/zinc/90/63/87/1007906387.db2.gz LAUBFPFDEGYERG-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001440633583 1007932788 /nfs/dbraw/zinc/93/27/88/1007932788.db2.gz CAQPTRYASSMYFP-CYBMUJFWSA-N 1 3 308.426 0.941 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1C ZINC001438483109 1007942624 /nfs/dbraw/zinc/94/26/24/1007942624.db2.gz AKDNNBBBKHMVDY-JGGQBBKZSA-N 1 3 321.469 0.911 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1C ZINC001438483109 1007942631 /nfs/dbraw/zinc/94/26/31/1007942631.db2.gz AKDNNBBBKHMVDY-JGGQBBKZSA-N 1 3 321.469 0.911 20 0 DCADHO C[C@@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001440818724 1008045818 /nfs/dbraw/zinc/04/58/18/1008045818.db2.gz LTJOSTMRPIFOOM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001441319468 1008317936 /nfs/dbraw/zinc/31/79/36/1008317936.db2.gz YMZQEPUUEKOVSX-QCEMKRCNSA-N 1 3 309.454 0.800 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001441319468 1008317939 /nfs/dbraw/zinc/31/79/39/1008317939.db2.gz YMZQEPUUEKOVSX-QCEMKRCNSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001441349570 1008329421 /nfs/dbraw/zinc/32/94/21/1008329421.db2.gz YNVQETVZLBFYDV-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001441366551 1008333944 /nfs/dbraw/zinc/33/39/44/1008333944.db2.gz SJXDKSJMKHOPPN-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001441607837 1008423141 /nfs/dbraw/zinc/42/31/41/1008423141.db2.gz MGIWHEDILMEHSP-CYBMUJFWSA-N 1 3 312.458 0.278 20 0 DCADHO O=C(NC[C@@H](CO)NCCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001441708016 1008471762 /nfs/dbraw/zinc/47/17/62/1008471762.db2.gz DKMKSFKUAOVNGR-NSHDSACASA-N 1 3 323.359 0.634 20 0 DCADHO CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001441760972 1008491239 /nfs/dbraw/zinc/49/12/39/1008491239.db2.gz WTXMABMDFDERLF-CJNGLKHVSA-N 1 3 317.449 0.922 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N2CCCCC2)CN1C(=O)CC[NH+](C)C ZINC001441841687 1008553617 /nfs/dbraw/zinc/55/36/17/1008553617.db2.gz REACVRPMSJMFLT-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@H](NCC(=O)NC2CC2)C(C)(C)C1 ZINC001441919585 1008657882 /nfs/dbraw/zinc/65/78/82/1008657882.db2.gz PFLFWOUFMKUBDK-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001421533390 1008696124 /nfs/dbraw/zinc/69/61/24/1008696124.db2.gz ZOPRERMXXUXBCF-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001421533390 1008696128 /nfs/dbraw/zinc/69/61/28/1008696128.db2.gz ZOPRERMXXUXBCF-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001421547213 1008713134 /nfs/dbraw/zinc/71/31/34/1008713134.db2.gz RCSKFWPXAGPWHQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001433415826 1008762564 /nfs/dbraw/zinc/76/25/64/1008762564.db2.gz VXNGSEMAVULART-HZSPNIEDSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001433415826 1008762572 /nfs/dbraw/zinc/76/25/72/1008762572.db2.gz VXNGSEMAVULART-HZSPNIEDSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001421637994 1008845276 /nfs/dbraw/zinc/84/52/76/1008845276.db2.gz NIMJXZIDEVYNIR-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001421638557 1008847756 /nfs/dbraw/zinc/84/77/56/1008847756.db2.gz SYPGLLXGDKOBJC-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001421638557 1008847774 /nfs/dbraw/zinc/84/77/74/1008847774.db2.gz SYPGLLXGDKOBJC-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)[C@H](C)C[NH+]2CCOCC2)o1 ZINC001442041759 1008855101 /nfs/dbraw/zinc/85/51/01/1008855101.db2.gz BUJULGFIZVBCGR-CHWSQXEVSA-N 1 3 324.425 0.546 20 0 DCADHO Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@H](C)CN2CCOCC2)o1 ZINC001442041759 1008855118 /nfs/dbraw/zinc/85/51/18/1008855118.db2.gz BUJULGFIZVBCGR-CHWSQXEVSA-N 1 3 324.425 0.546 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001442041762 1008857349 /nfs/dbraw/zinc/85/73/49/1008857349.db2.gz BUJULGFIZVBCGR-STQMWFEESA-N 1 3 324.425 0.546 20 0 DCADHO Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CN2CCOCC2)o1 ZINC001442041762 1008857367 /nfs/dbraw/zinc/85/73/67/1008857367.db2.gz BUJULGFIZVBCGR-STQMWFEESA-N 1 3 324.425 0.546 20 0 DCADHO C[C@H]1OC(=O)N[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001433628555 1009017667 /nfs/dbraw/zinc/01/76/67/1009017667.db2.gz CKMQCKWWTUVFBC-RISCZKNCSA-N 1 3 324.425 0.158 20 0 DCADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001421805683 1009116180 /nfs/dbraw/zinc/11/61/80/1009116180.db2.gz SNTJZXNTQPLDAL-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CC[C@@H](F)CNC[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001421814242 1009126508 /nfs/dbraw/zinc/12/65/08/1009126508.db2.gz FPOVTXIJLNDIEK-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@@H](F)CNC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001421814242 1009126515 /nfs/dbraw/zinc/12/65/15/1009126515.db2.gz FPOVTXIJLNDIEK-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001421848810 1009162066 /nfs/dbraw/zinc/16/20/66/1009162066.db2.gz QESYZSDZSBKYFS-BETUJISGSA-N 1 3 310.442 0.363 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001421940403 1009289133 /nfs/dbraw/zinc/28/91/33/1009289133.db2.gz UBAHQJSPJVMPSK-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001421983858 1009361948 /nfs/dbraw/zinc/36/19/48/1009361948.db2.gz DSHQAHOEMDLLAA-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001421985553 1009362962 /nfs/dbraw/zinc/36/29/62/1009362962.db2.gz HSNWKEVMVQSDTB-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001422028513 1009413555 /nfs/dbraw/zinc/41/35/55/1009413555.db2.gz KRYSQNYGECUBOZ-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001422028513 1009413564 /nfs/dbraw/zinc/41/35/64/1009413564.db2.gz KRYSQNYGECUBOZ-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001422059102 1009445547 /nfs/dbraw/zinc/44/55/47/1009445547.db2.gz IESRWDKDZMTRBT-HIFRSBDPSA-N 1 3 307.442 0.697 20 0 DCADHO CN(CC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@H]1CCCCN1C ZINC001422172859 1009604575 /nfs/dbraw/zinc/60/45/75/1009604575.db2.gz BDOKQJALQAVXBN-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CC[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@H]1CCCCN1C ZINC001422172859 1009604579 /nfs/dbraw/zinc/60/45/79/1009604579.db2.gz BDOKQJALQAVXBN-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422324485 1009874907 /nfs/dbraw/zinc/87/49/07/1009874907.db2.gz AZCOTCGPRQNCJO-CHWSQXEVSA-N 1 3 320.441 0.426 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001422453434 1010109705 /nfs/dbraw/zinc/10/97/05/1010109705.db2.gz STXLNFSMWLSRNI-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001443244855 1010261634 /nfs/dbraw/zinc/26/16/34/1010261634.db2.gz ORFINTHATISQDW-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001443244855 1010261640 /nfs/dbraw/zinc/26/16/40/1010261640.db2.gz ORFINTHATISQDW-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001443986222 1010791383 /nfs/dbraw/zinc/79/13/83/1010791383.db2.gz QSOHHMQAFXXPIZ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](CNCc1ccnn1C)C1CC1)[NH+](C)C ZINC001423008368 1010804897 /nfs/dbraw/zinc/80/48/97/1010804897.db2.gz NVGABOYPLBDSMP-HOTGVXAUSA-N 1 3 321.469 0.991 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001423013353 1010809945 /nfs/dbraw/zinc/80/99/45/1010809945.db2.gz UGAXPIZCQQLWPX-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(=O)N2CCC2)C2CC2)C1 ZINC001423025572 1010818986 /nfs/dbraw/zinc/81/89/86/1010818986.db2.gz XZVNCYCTTJAGSU-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN(C)C(=O)CC[N@H+](C)C1CCCCC1)NCC(N)=O ZINC001423108508 1010894156 /nfs/dbraw/zinc/89/41/56/1010894156.db2.gz ZPGACZMECRDULB-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CN(C)C(=O)CC[N@@H+](C)C1CCCCC1)NCC(N)=O ZINC001423108508 1010894162 /nfs/dbraw/zinc/89/41/62/1010894162.db2.gz ZPGACZMECRDULB-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001423171458 1010939239 /nfs/dbraw/zinc/93/92/39/1010939239.db2.gz MMVOVXQVUNPZCE-KBPBESRZSA-N 1 3 322.457 0.542 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccn(C)n1 ZINC001444328599 1010966530 /nfs/dbraw/zinc/96/65/30/1010966530.db2.gz OITBIOIANBIUNE-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001444765948 1011164750 /nfs/dbraw/zinc/16/47/50/1011164750.db2.gz AHAHHVBWMPKISH-UONOGXRCSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001444765948 1011164752 /nfs/dbraw/zinc/16/47/52/1011164752.db2.gz AHAHHVBWMPKISH-UONOGXRCSA-N 1 3 312.458 0.465 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423478332 1011177208 /nfs/dbraw/zinc/17/72/08/1011177208.db2.gz PCBGHYOZIGTHEN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001423477960 1011177439 /nfs/dbraw/zinc/17/74/39/1011177439.db2.gz ANWXVRNBCHQVNY-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1)N(C)C ZINC001423480668 1011178028 /nfs/dbraw/zinc/17/80/28/1011178028.db2.gz OCRLTSAJOMWLOD-CVEARBPZSA-N 1 3 307.438 0.936 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001456497047 1011308398 /nfs/dbraw/zinc/30/83/98/1011308398.db2.gz YMIQNOBINSEMGV-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001423646392 1011387411 /nfs/dbraw/zinc/38/74/11/1011387411.db2.gz PTPSHIMYAXNBPS-NWDGAFQWSA-N 1 3 308.426 0.858 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCc2ccccc2F)CC1 ZINC001445227508 1011543848 /nfs/dbraw/zinc/54/38/48/1011543848.db2.gz UCVCWGBFSLIJST-HNNXBMFYSA-N 1 3 323.412 0.734 20 0 DCADHO Cc1cc(CNC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)sn1 ZINC001445257194 1011583943 /nfs/dbraw/zinc/58/39/43/1011583943.db2.gz COONCCYXIRQXBB-GFCCVEGCSA-N 1 3 324.450 0.114 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001445280615 1011609890 /nfs/dbraw/zinc/60/98/90/1011609890.db2.gz VAAICPAUGWDDDE-VXGBXAGGSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001445280615 1011609893 /nfs/dbraw/zinc/60/98/93/1011609893.db2.gz VAAICPAUGWDDDE-VXGBXAGGSA-N 1 3 312.439 0.052 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445360960 1011693572 /nfs/dbraw/zinc/69/35/72/1011693572.db2.gz DVRHYZVOZAGFCP-JHJVBQTASA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445360960 1011693580 /nfs/dbraw/zinc/69/35/80/1011693580.db2.gz DVRHYZVOZAGFCP-JHJVBQTASA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](C(=O)NCCCCc1cc[nH+]c(N)c1)N1CCN(C)CC1 ZINC001457430253 1011709953 /nfs/dbraw/zinc/70/99/53/1011709953.db2.gz SCSPBYCAIDMGPG-CQSZACIVSA-N 1 3 319.453 0.739 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001445397855 1011725447 /nfs/dbraw/zinc/72/54/47/1011725447.db2.gz DJQZZDAPGHUIKX-OLZOCXBDSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001445434614 1011768698 /nfs/dbraw/zinc/76/86/98/1011768698.db2.gz MFRJQXYWUFJUCL-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001445555937 1011922220 /nfs/dbraw/zinc/92/22/20/1011922220.db2.gz AIVHUYIKGCBUFA-RYUDHWBXSA-N 1 3 310.442 0.232 20 0 DCADHO Cc1nnc(CNC[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001424089191 1011975756 /nfs/dbraw/zinc/97/57/56/1011975756.db2.gz KMBPGGRESLMNNH-HDJSIYSDSA-N 1 3 322.457 0.829 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553443161 1011978004 /nfs/dbraw/zinc/97/80/04/1011978004.db2.gz GGAQQARUDBCJLN-FPCVCCKLSA-N 1 3 322.453 0.633 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553499772 1012036836 /nfs/dbraw/zinc/03/68/36/1012036836.db2.gz BXMRMAAEXQBVSV-BARDWOONSA-N 1 3 310.442 0.497 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553512596 1012057897 /nfs/dbraw/zinc/05/78/97/1012057897.db2.gz FGVUAOCZGWFZQL-ZQDZILKHSA-N 1 3 310.442 0.368 20 0 DCADHO [NH3+]CCC1CC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553543540 1012095166 /nfs/dbraw/zinc/09/51/66/1012095166.db2.gz AKBVGSSDKILNRZ-WUCCLRPBSA-N 1 3 310.442 0.354 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001445723683 1012162382 /nfs/dbraw/zinc/16/23/82/1012162382.db2.gz YZFCKNMMVMJOCA-GJZGRUSLSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001445723683 1012162388 /nfs/dbraw/zinc/16/23/88/1012162388.db2.gz YZFCKNMMVMJOCA-GJZGRUSLSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001445723684 1012163546 /nfs/dbraw/zinc/16/35/46/1012163546.db2.gz YZFCKNMMVMJOCA-HUUCEWRRSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001445723684 1012163557 /nfs/dbraw/zinc/16/35/57/1012163557.db2.gz YZFCKNMMVMJOCA-HUUCEWRRSA-N 1 3 322.457 0.587 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CN1C1CC1 ZINC001548554243 1012707048 /nfs/dbraw/zinc/70/70/48/1012707048.db2.gz DILQJBIQDGWEBI-WQGACYEGSA-N 1 3 306.410 0.626 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC001461044650 1013004945 /nfs/dbraw/zinc/00/49/45/1013004945.db2.gz OGUDCAXHSSWAMN-ZDUSSCGKSA-N 1 3 308.426 0.917 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)CC[NH+](C)C)CC2)C1 ZINC001506195108 1017109579 /nfs/dbraw/zinc/10/95/79/1017109579.db2.gz HDRKZUHDVUIWFP-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001509500802 1017332855 /nfs/dbraw/zinc/33/28/55/1017332855.db2.gz DNSAROSKFCYONG-CYBMUJFWSA-N 1 3 312.458 0.241 20 0 DCADHO C[NH2+]C1CC(C(=O)NCCCN2CCC(C(=O)OC)CC2)C1 ZINC001521573223 1017395470 /nfs/dbraw/zinc/39/54/70/1017395470.db2.gz KJNSJXABSDUROY-UHFFFAOYSA-N 1 3 311.426 0.376 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1nncn1C ZINC001506982151 1017734946 /nfs/dbraw/zinc/73/49/46/1017734946.db2.gz PRVFRRYNEIFGTH-KGLIPLIRSA-N 1 3 322.457 0.530 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479832463 1017841827 /nfs/dbraw/zinc/84/18/27/1017841827.db2.gz XDXCVCSDJQDMFA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001499492514 1017949718 /nfs/dbraw/zinc/94/97/18/1017949718.db2.gz FPCAATLSHJFHKS-QXMXGUDHSA-N 1 3 319.409 0.200 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001497394631 1018109200 /nfs/dbraw/zinc/10/92/00/1018109200.db2.gz PYTWZCRLCPMLHI-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001497394631 1018109206 /nfs/dbraw/zinc/10/92/06/1018109206.db2.gz PYTWZCRLCPMLHI-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001499926316 1018139743 /nfs/dbraw/zinc/13/97/43/1018139743.db2.gz HOWRYZFIUUDNSL-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001499926316 1018139748 /nfs/dbraw/zinc/13/97/48/1018139748.db2.gz HOWRYZFIUUDNSL-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001499950799 1018150519 /nfs/dbraw/zinc/15/05/19/1018150519.db2.gz NMASUFCTPHBMJD-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001497501295 1018172989 /nfs/dbraw/zinc/17/29/89/1018172989.db2.gz QZKRNLNCCRWIGP-ZDUSSCGKSA-N 1 3 320.437 0.674 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001494995052 1018219134 /nfs/dbraw/zinc/21/91/34/1018219134.db2.gz OHAKRWOLJIRRSA-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCN(C)C1=O ZINC001497601029 1018266278 /nfs/dbraw/zinc/26/62/78/1018266278.db2.gz RJMQXACPTMRQBI-ZYOQUQOHSA-N 1 3 322.453 0.354 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCN(C)C1=O ZINC001497601029 1018266286 /nfs/dbraw/zinc/26/62/86/1018266286.db2.gz RJMQXACPTMRQBI-ZYOQUQOHSA-N 1 3 322.453 0.354 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)n1 ZINC001497649128 1018304593 /nfs/dbraw/zinc/30/45/93/1018304593.db2.gz GQKGUUXTIVEPPW-FOSCPCJNSA-N 1 3 320.441 0.251 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001480225153 1018335097 /nfs/dbraw/zinc/33/50/97/1018335097.db2.gz ZEKIEUUUIDDHFK-XGUBFFRZSA-N 1 3 324.469 0.573 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001480296603 1018409827 /nfs/dbraw/zinc/40/98/27/1018409827.db2.gz YVCGUBIVBUGRAT-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001497951456 1018537579 /nfs/dbraw/zinc/53/75/79/1018537579.db2.gz ZDFXCSFZZFYKFV-CYBMUJFWSA-N 1 3 323.441 0.125 20 0 DCADHO C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001497994275 1018570103 /nfs/dbraw/zinc/57/01/03/1018570103.db2.gz ZHUADLKAFHNAJO-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cnn(C)c1 ZINC001480481020 1018577064 /nfs/dbraw/zinc/57/70/64/1018577064.db2.gz VBSOVOXGDWIHLT-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cnn(C)c1 ZINC001480481020 1018577076 /nfs/dbraw/zinc/57/70/76/1018577076.db2.gz VBSOVOXGDWIHLT-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001498053819 1018616374 /nfs/dbraw/zinc/61/63/74/1018616374.db2.gz UBSMKFDOWJAYRQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001498053819 1018616379 /nfs/dbraw/zinc/61/63/79/1018616379.db2.gz UBSMKFDOWJAYRQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCN(C2CCC2)C1=O ZINC001480528432 1018631713 /nfs/dbraw/zinc/63/17/13/1018631713.db2.gz VZYYCYJVUAPVGN-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001480537202 1018637801 /nfs/dbraw/zinc/63/78/01/1018637801.db2.gz MNQYOHHLPNXYCM-IAQYHMDHSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001480537202 1018637809 /nfs/dbraw/zinc/63/78/09/1018637809.db2.gz MNQYOHHLPNXYCM-IAQYHMDHSA-N 1 3 316.421 0.039 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001480676210 1018764245 /nfs/dbraw/zinc/76/42/45/1018764245.db2.gz LGXVIGJPYNVPEV-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001480680383 1018772139 /nfs/dbraw/zinc/77/21/39/1018772139.db2.gz KXYHOTQPQZLFIX-HNNXBMFYSA-N 1 3 307.442 0.661 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001498234951 1018793481 /nfs/dbraw/zinc/79/34/81/1018793481.db2.gz RNMTUZMSPLKDEE-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001498234951 1018793495 /nfs/dbraw/zinc/79/34/95/1018793495.db2.gz RNMTUZMSPLKDEE-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001501162014 1018931536 /nfs/dbraw/zinc/93/15/36/1018931536.db2.gz XUDFPFSTYMAGBE-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001501162014 1018931548 /nfs/dbraw/zinc/93/15/48/1018931548.db2.gz XUDFPFSTYMAGBE-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C1CC1 ZINC001498526757 1019194428 /nfs/dbraw/zinc/19/44/28/1019194428.db2.gz YVGUFCNALHCRQQ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001496338240 1019251919 /nfs/dbraw/zinc/25/19/19/1019251919.db2.gz BMDFGKWAPRDZCW-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001501579007 1019303185 /nfs/dbraw/zinc/30/31/85/1019303185.db2.gz VNAILUATLDBDLK-ZFWWWQNUSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001498804131 1019439131 /nfs/dbraw/zinc/43/91/31/1019439131.db2.gz SRHVHHTZKMYTSL-YPMHNXCESA-N 1 3 310.442 0.219 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cn1 ZINC001496643107 1019478474 /nfs/dbraw/zinc/47/84/74/1019478474.db2.gz NENGNIYLAWOIHB-CVEARBPZSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)cn1 ZINC001496643107 1019478482 /nfs/dbraw/zinc/47/84/82/1019478482.db2.gz NENGNIYLAWOIHB-CVEARBPZSA-N 1 3 319.453 0.967 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001498872251 1019491499 /nfs/dbraw/zinc/49/14/99/1019491499.db2.gz FNROQGXYVDZFQS-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001494022067 1019928316 /nfs/dbraw/zinc/92/83/16/1019928316.db2.gz RCENUMFAINCMCZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001494022067 1019928323 /nfs/dbraw/zinc/92/83/23/1019928323.db2.gz RCENUMFAINCMCZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)N(C)C)C1 ZINC001494069025 1019963411 /nfs/dbraw/zinc/96/34/11/1019963411.db2.gz KBEWCIDKVQHFOP-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)N(C)C)C1 ZINC001494069025 1019963418 /nfs/dbraw/zinc/96/34/18/1019963418.db2.gz KBEWCIDKVQHFOP-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410915654 282081029 /nfs/dbraw/zinc/08/10/29/282081029.db2.gz NTVVLWXCGHUKTK-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000372475873 282119482 /nfs/dbraw/zinc/11/94/82/282119482.db2.gz ZEPXULZEOOAENS-RRFJBIMHSA-N 1 3 310.442 0.443 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000340727327 282182388 /nfs/dbraw/zinc/18/23/88/282182388.db2.gz YRMISVPDSISZEY-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000332111742 282182794 /nfs/dbraw/zinc/18/27/94/282182794.db2.gz AAVRECPHLHBUMS-XGUBFFRZSA-N 1 3 322.453 0.125 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000343841991 291049359 /nfs/dbraw/zinc/04/93/59/291049359.db2.gz ACDOMNMEBQCRHI-RDBSUJKOSA-N 1 3 311.426 0.741 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000343841991 291049361 /nfs/dbraw/zinc/04/93/61/291049361.db2.gz ACDOMNMEBQCRHI-RDBSUJKOSA-N 1 3 311.426 0.741 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427310581 240356199 /nfs/dbraw/zinc/35/61/99/240356199.db2.gz VKMBRRICYPNBPM-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH2+]C[C@](C)(O)CN1CCC(CCCN2CCOCC2)CC1 ZINC000566352042 291296584 /nfs/dbraw/zinc/29/65/84/291296584.db2.gz SOORUDGOZOZZCC-KRWDZBQOSA-N 1 3 313.486 0.781 20 0 DCADHO CNC[C@](C)(O)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000566352042 291296585 /nfs/dbraw/zinc/29/65/85/291296585.db2.gz SOORUDGOZOZZCC-KRWDZBQOSA-N 1 3 313.486 0.781 20 0 DCADHO CC[NH2+]CCCNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000566610076 291314813 /nfs/dbraw/zinc/31/48/13/291314813.db2.gz XSSIRGXOLHAAGG-OAHLLOKOSA-N 1 3 313.490 0.559 20 0 DCADHO C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H](CN)C1 ZINC000420330922 240021678 /nfs/dbraw/zinc/02/16/78/240021678.db2.gz ILMQTJRGNGLCFX-ZJUUUORDSA-N 1 3 324.347 0.824 20 0 DCADHO C[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H](CN)C1 ZINC000420330922 240021682 /nfs/dbraw/zinc/02/16/82/240021682.db2.gz ILMQTJRGNGLCFX-ZJUUUORDSA-N 1 3 324.347 0.824 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000423555002 240206616 /nfs/dbraw/zinc/20/66/16/240206616.db2.gz FVGGWZRSLVIMQO-HNNXBMFYSA-N 1 3 318.421 0.897 20 0 DCADHO C[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)[C@H]1C[NH3+] ZINC000430546112 240396984 /nfs/dbraw/zinc/39/69/84/240396984.db2.gz IXZADTNVKLOIIN-BBRMVZONSA-N 1 3 308.470 0.789 20 0 DCADHO COC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000567873966 291386908 /nfs/dbraw/zinc/38/69/08/291386908.db2.gz DTOCGKDZTOGPMC-DLBZAZTESA-N 1 3 308.422 0.740 20 0 DCADHO COC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000567873966 291386909 /nfs/dbraw/zinc/38/69/09/291386909.db2.gz DTOCGKDZTOGPMC-DLBZAZTESA-N 1 3 308.422 0.740 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCc2cncn2C1 ZINC000567976461 291395050 /nfs/dbraw/zinc/39/50/50/291395050.db2.gz OIDUUGRFPKAELW-AWEZNQCLSA-N 1 3 307.442 0.397 20 0 DCADHO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)NC1CCN(C2CC2)CC1 ZINC000567990185 291395863 /nfs/dbraw/zinc/39/58/63/291395863.db2.gz DROHAYCBPKYKNB-SFHVURJKSA-N 1 3 320.481 0.805 20 0 DCADHO CN(C)C[C@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569573718 291485186 /nfs/dbraw/zinc/48/51/86/291485186.db2.gz XBJDIOAZGQTSRC-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000572720464 291584772 /nfs/dbraw/zinc/58/47/72/291584772.db2.gz QUTWYLVMWJPHMS-UONOGXRCSA-N 1 3 322.457 0.925 20 0 DCADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H]3OCCN[C@H]3C2)cc1 ZINC000574332101 291688564 /nfs/dbraw/zinc/68/85/64/291688564.db2.gz ORWCYFYCCAIXSK-HYVNUMGLSA-N 1 3 305.422 0.800 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000105143994 194079791 /nfs/dbraw/zinc/07/97/91/194079791.db2.gz FJTSRNFYQOAXPH-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000105143994 194079793 /nfs/dbraw/zinc/07/97/93/194079793.db2.gz FJTSRNFYQOAXPH-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000347048911 285055319 /nfs/dbraw/zinc/05/53/19/285055319.db2.gz RNBWWEJJCBTWJP-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000347048911 285055320 /nfs/dbraw/zinc/05/53/20/285055320.db2.gz RNBWWEJJCBTWJP-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000339575848 253107794 /nfs/dbraw/zinc/10/77/94/253107794.db2.gz BVJMYXOQTXLFFP-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000339575848 253107796 /nfs/dbraw/zinc/10/77/96/253107796.db2.gz BVJMYXOQTXLFFP-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000339583931 253108467 /nfs/dbraw/zinc/10/84/67/253108467.db2.gz YILDBUDDHPARGE-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](NC(=O)C(=O)NC1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000339634925 253118797 /nfs/dbraw/zinc/11/87/97/253118797.db2.gz LHEMAZKUERYNJB-GFCCVEGCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339963790 253171194 /nfs/dbraw/zinc/17/11/94/253171194.db2.gz HNLGMIIUHFINHU-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340261351 253226944 /nfs/dbraw/zinc/22/69/44/253226944.db2.gz QHHVWDMELLQUKU-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000346976249 254119256 /nfs/dbraw/zinc/11/92/56/254119256.db2.gz UVPVGZVEGVNHAR-OAHLLOKOSA-N 1 3 310.486 0.718 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000349989184 254307444 /nfs/dbraw/zinc/30/74/44/254307444.db2.gz FOGISXZGKOVVRE-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000349989184 254307446 /nfs/dbraw/zinc/30/74/46/254307446.db2.gz FOGISXZGKOVVRE-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000352096414 254397878 /nfs/dbraw/zinc/39/78/78/254397878.db2.gz FRVGIWIACUAKDY-TZMCWYRMSA-N 1 3 314.474 0.569 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(C)=O ZINC000101518576 285279330 /nfs/dbraw/zinc/27/93/30/285279330.db2.gz YOCATZJJZBMTKK-HIFRSBDPSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(C)=O ZINC000101518576 285279331 /nfs/dbraw/zinc/27/93/31/285279331.db2.gz YOCATZJJZBMTKK-HIFRSBDPSA-N 1 3 312.458 0.386 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000417088689 262245485 /nfs/dbraw/zinc/24/54/85/262245485.db2.gz HSMBJMDDKPDFAK-ZDUSSCGKSA-N 1 3 300.447 0.724 20 0 DCADHO CC(C)NS(=O)(=O)[C@@H]1CCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000420369245 262371989 /nfs/dbraw/zinc/37/19/89/262371989.db2.gz IOXINEFVYZXLGC-ZIAGYGMSSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@H](CNC(=O)c1ccc2cncn2c1)C[NH+]1CCN(C)CC1 ZINC000284390478 131075920 /nfs/dbraw/zinc/07/59/20/131075920.db2.gz PZFDYCIIGYNFSZ-CQSZACIVSA-N 1 3 315.421 0.948 20 0 DCADHO CN(C)CCn1ccc(NC(=O)c2csc(CC[NH3+])n2)n1 ZINC000194832983 395809564 /nfs/dbraw/zinc/80/95/64/395809564.db2.gz FAXAOOKEUANTRW-UHFFFAOYSA-N 1 3 308.411 0.655 20 0 DCADHO CCCCN(C)CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236713626 395896920 /nfs/dbraw/zinc/89/69/20/395896920.db2.gz CRZQCWNNUXQJPC-UHFFFAOYSA-N 1 3 308.430 0.664 20 0 DCADHO C[C@@H](CNC(=O)[C@H](N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000237592072 395915634 /nfs/dbraw/zinc/91/56/34/395915634.db2.gz XKSRGEFJAKRANB-GOEBONIOSA-N 1 3 304.438 0.686 20 0 DCADHO Cc1nn(C)cc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261636119 396050700 /nfs/dbraw/zinc/05/07/00/396050700.db2.gz DKEJQGQLTJKNAV-GDBMZVCRSA-N 1 3 319.453 0.809 20 0 DCADHO CSCC[C@@H](N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000157315393 396062490 /nfs/dbraw/zinc/06/24/90/396062490.db2.gz QWKUXJJVWAPION-QWHCGFSZSA-N 1 3 303.472 0.276 20 0 DCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000277540602 396073754 /nfs/dbraw/zinc/07/37/54/396073754.db2.gz LZQQZMVVGQUNKD-PQEBFOHHSA-N 1 3 317.433 0.879 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC000152641782 396014069 /nfs/dbraw/zinc/01/40/69/396014069.db2.gz VQRJMQAPTXEESP-KGLIPLIRSA-N 1 3 310.442 0.092 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC000152641942 396014427 /nfs/dbraw/zinc/01/44/27/396014427.db2.gz VQRJMQAPTXEESP-UONOGXRCSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N(C)C1CC1 ZINC000262056033 396094382 /nfs/dbraw/zinc/09/43/82/396094382.db2.gz AMWSORRLUBWVNM-ZDUSSCGKSA-N 1 3 305.426 0.561 20 0 DCADHO [NH3+]C1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000262151438 396104430 /nfs/dbraw/zinc/10/44/30/396104430.db2.gz ROWFXLWUGKFNIG-UHFFFAOYSA-N 1 3 316.449 0.802 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000171199376 396110180 /nfs/dbraw/zinc/11/01/80/396110180.db2.gz PVKJFZDVKOVDEK-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO COCCOCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262305378 396120478 /nfs/dbraw/zinc/12/04/78/396120478.db2.gz PBTAHXHMSUGXCT-HUUCEWRRSA-N 1 3 313.442 0.230 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000262343775 396127583 /nfs/dbraw/zinc/12/75/83/396127583.db2.gz GLKWTLYDOKHHNT-OEAJRASXSA-N 1 3 303.406 0.488 20 0 DCADHO CNCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000178753234 396208251 /nfs/dbraw/zinc/20/82/51/396208251.db2.gz VWYDUCRJIMWSBA-ZDUSSCGKSA-N 1 3 304.394 0.542 20 0 DCADHO CNCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000178753234 396208253 /nfs/dbraw/zinc/20/82/53/396208253.db2.gz VWYDUCRJIMWSBA-ZDUSSCGKSA-N 1 3 304.394 0.542 20 0 DCADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262569368 396156777 /nfs/dbraw/zinc/15/67/77/396156777.db2.gz YRJXXGCWOPCBJB-DLBZAZTESA-N 1 3 317.433 0.533 20 0 DCADHO [NH3+]CCCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000262623501 396163555 /nfs/dbraw/zinc/16/35/55/396163555.db2.gz AJJQCKYIAGJNSK-UHFFFAOYSA-N 1 3 305.422 0.998 20 0 DCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000262693093 396173386 /nfs/dbraw/zinc/17/33/86/396173386.db2.gz BLPGAPHYJNKQHK-JSGCOSHPSA-N 1 3 313.442 0.751 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000262829274 396185128 /nfs/dbraw/zinc/18/51/28/396185128.db2.gz ZISGOEGGWDXHCN-CYBMUJFWSA-N 1 3 315.483 0.828 20 0 DCADHO CC[NH+](CC)CCN(CCOC)C(=O)C[C@@H]1CSCCN1 ZINC000262830277 396185655 /nfs/dbraw/zinc/18/56/55/396185655.db2.gz UWCREAJJNKJHHG-CQSZACIVSA-N 1 3 317.499 0.898 20 0 DCADHO CN(C)C/C=C/C(=O)N[C@@H](CNC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000265686618 396336902 /nfs/dbraw/zinc/33/69/02/396336902.db2.gz XKCVNXQCNZLFIM-YFZLKRFHSA-N 1 3 322.453 0.233 20 0 DCADHO CN(C)C/C=C/C(=O)NC[C@H](NC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000265686618 396336906 /nfs/dbraw/zinc/33/69/06/396336906.db2.gz XKCVNXQCNZLFIM-YFZLKRFHSA-N 1 3 322.453 0.233 20 0 DCADHO C[NH2+]CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000285811365 396355750 /nfs/dbraw/zinc/35/57/50/396355750.db2.gz RQADZVHHUUFBID-UHFFFAOYSA-N 1 3 305.422 0.869 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)O1 ZINC000188733891 396384940 /nfs/dbraw/zinc/38/49/40/396384940.db2.gz KAXKFXVRDXSVEJ-RFQIPJPRSA-N 1 3 301.406 0.692 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000515187033 396501373 /nfs/dbraw/zinc/50/13/73/396501373.db2.gz JRKMHNBKCGOOPF-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000290342337 396466737 /nfs/dbraw/zinc/46/67/37/396466737.db2.gz FMDSUUDUCVQQCA-JSGCOSHPSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000290342337 396466739 /nfs/dbraw/zinc/46/67/39/396466739.db2.gz FMDSUUDUCVQQCA-JSGCOSHPSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000290342337 396466741 /nfs/dbraw/zinc/46/67/41/396466741.db2.gz FMDSUUDUCVQQCA-JSGCOSHPSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000290342337 396466742 /nfs/dbraw/zinc/46/67/42/396466742.db2.gz FMDSUUDUCVQQCA-JSGCOSHPSA-N 1 3 306.410 0.000 20 0 DCADHO CCOC(=O)CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000594583226 396488580 /nfs/dbraw/zinc/48/85/80/396488580.db2.gz CLMYCOPOVXNMFX-CQSZACIVSA-N 1 3 313.442 0.847 20 0 DCADHO CCOC(=O)CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000594583226 396488583 /nfs/dbraw/zinc/48/85/83/396488583.db2.gz CLMYCOPOVXNMFX-CQSZACIVSA-N 1 3 313.442 0.847 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000372439093 396518180 /nfs/dbraw/zinc/51/81/80/396518180.db2.gz JTVMPLWKQWPZPA-HLLBOEOZSA-N 1 3 308.470 0.376 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000581262481 396540007 /nfs/dbraw/zinc/54/00/07/396540007.db2.gz OZMWOGRKSJENNP-DZGCQCFKSA-N 1 3 305.426 0.611 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000581378887 396550257 /nfs/dbraw/zinc/55/02/57/396550257.db2.gz WNUNASKREDSKRB-UKRRQHHQSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000581378887 396550259 /nfs/dbraw/zinc/55/02/59/396550259.db2.gz WNUNASKREDSKRB-UKRRQHHQSA-N 1 3 307.442 0.857 20 0 DCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000581596825 396567654 /nfs/dbraw/zinc/56/76/54/396567654.db2.gz AXEPXARRKQKQBG-WCVJEAGWSA-N 1 3 302.422 0.676 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000561999448 396650299 /nfs/dbraw/zinc/65/02/99/396650299.db2.gz NXHPZQHCFMLMBB-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC[N@H+]1C ZINC000561999448 396650302 /nfs/dbraw/zinc/65/03/02/396650302.db2.gz NXHPZQHCFMLMBB-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373428579 396590774 /nfs/dbraw/zinc/59/07/74/396590774.db2.gz YREBLSFSZRCKJC-XJKSGUPXSA-N 1 3 301.394 0.429 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000373961607 396626019 /nfs/dbraw/zinc/62/60/19/396626019.db2.gz GRZUFCWEHOCTBJ-CVEARBPZSA-N 1 3 324.469 0.977 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000584839014 396628355 /nfs/dbraw/zinc/62/83/55/396628355.db2.gz CLWKREISYCWADY-BFHYXJOUSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000562672225 396673683 /nfs/dbraw/zinc/67/36/83/396673683.db2.gz AQGQKRGWKBBZSW-CYBMUJFWSA-N 1 3 323.441 0.983 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000562821078 396683089 /nfs/dbraw/zinc/68/30/89/396683089.db2.gz VQPVOUVUXDGZQN-CQSZACIVSA-N 1 3 311.474 0.311 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000563076283 396700343 /nfs/dbraw/zinc/70/03/43/396700343.db2.gz QJTFZKOQYAYSBI-INIZCTEOSA-N 1 3 311.470 0.975 20 0 DCADHO CO[C@H](CN)C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000563110262 396703977 /nfs/dbraw/zinc/70/39/77/396703977.db2.gz OFOHQEGYAWYMMV-NWDGAFQWSA-N 1 3 312.439 0.363 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@@H](C)O1 ZINC000375257507 396722516 /nfs/dbraw/zinc/72/25/16/396722516.db2.gz YPEQPTVFZILVFF-PNBKFKSVSA-N 1 3 309.454 0.992 20 0 DCADHO O[C@H]1CCN(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000629556509 396784892 /nfs/dbraw/zinc/78/48/92/396784892.db2.gz RETMQVMDRCWVOF-QILLFSRXSA-N 1 3 317.433 0.899 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000563423703 396731500 /nfs/dbraw/zinc/73/15/00/396731500.db2.gz ICNOZJVRXBPIAI-JHJVBQTASA-N 1 3 301.456 0.803 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000563610076 396758851 /nfs/dbraw/zinc/75/88/51/396758851.db2.gz YVVFLPSWRUVZIK-QLFBSQMISA-N 1 3 309.458 0.158 20 0 DCADHO CCN1CCN(CCCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000564855346 396883448 /nfs/dbraw/zinc/88/34/48/396883448.db2.gz QOMASDSAWFNRDA-INIZCTEOSA-N 1 3 309.458 0.251 20 0 DCADHO CN(C)CC[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC000629961019 396896443 /nfs/dbraw/zinc/89/64/43/396896443.db2.gz GMTMUXXQEKSJQC-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CS(=O)(=O)N1CCC(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339069775 396955111 /nfs/dbraw/zinc/95/51/11/396955111.db2.gz VRWCYVTUDOUVET-LSDHHAIUSA-N 1 3 315.483 0.874 20 0 DCADHO CS(=O)(=O)N1CCC(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339069775 396955114 /nfs/dbraw/zinc/95/51/14/396955114.db2.gz VRWCYVTUDOUVET-LSDHHAIUSA-N 1 3 315.483 0.874 20 0 DCADHO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000339069775 396955119 /nfs/dbraw/zinc/95/51/19/396955119.db2.gz VRWCYVTUDOUVET-LSDHHAIUSA-N 1 3 315.483 0.874 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000376696230 396965515 /nfs/dbraw/zinc/96/55/15/396965515.db2.gz VLPWGKAXRMQMCC-DZGCQCFKSA-N 1 3 300.422 0.078 20 0 DCADHO CC(C)N(C)C[C@H](C)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000572029363 397014089 /nfs/dbraw/zinc/01/40/89/397014089.db2.gz KVRSVQHNABUAEV-CAOSSQGBSA-N 1 3 301.475 0.775 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000572136534 397027748 /nfs/dbraw/zinc/02/77/48/397027748.db2.gz CLGHBUWQGBPTAU-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CNCC(=O)Nc1cccc(-c2cn(CC3C[NH2+]C3)nn2)c1 ZINC000630613973 397062829 /nfs/dbraw/zinc/06/28/29/397062829.db2.gz OTXPBNRFKUWNAN-UHFFFAOYSA-N 1 3 300.366 0.322 20 0 DCADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000612461338 397063632 /nfs/dbraw/zinc/06/36/32/397063632.db2.gz ZJLFOOYKJQEQFN-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCOC1 ZINC000572269747 397041422 /nfs/dbraw/zinc/04/14/22/397041422.db2.gz LLDPIPBVXDDFHV-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccco1 ZINC000572341034 397047280 /nfs/dbraw/zinc/04/72/80/397047280.db2.gz SGSKOLVBWNHDHW-UHFFFAOYSA-N 1 3 324.425 0.190 20 0 DCADHO CN1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000572347483 397049927 /nfs/dbraw/zinc/04/99/27/397049927.db2.gz YGKHVVGJDBZKGX-ZIAGYGMSSA-N 1 3 311.474 0.391 20 0 DCADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000573008049 397124706 /nfs/dbraw/zinc/12/47/06/397124706.db2.gz QRLMAKZOHSSTLY-ZDUSSCGKSA-N 1 3 303.472 0.873 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H](C)[NH2+]C3CC3)C2)CC1 ZINC000592219005 397134343 /nfs/dbraw/zinc/13/43/43/397134343.db2.gz CTFNLGPGMGHZME-HOCLYGCPSA-N 1 3 308.470 0.754 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612964456 397164743 /nfs/dbraw/zinc/16/47/43/397164743.db2.gz RLVPQOMWNYACPH-OAHLLOKOSA-N 1 3 323.485 0.454 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000592560493 397215748 /nfs/dbraw/zinc/21/57/48/397215748.db2.gz XZDSWGDNKYKEDT-MCIONIFRSA-N 1 3 309.410 0.128 20 0 DCADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCN4CCC[C@H]4C3)c21 ZINC000592959616 397304919 /nfs/dbraw/zinc/30/49/19/397304919.db2.gz NIVWKDIRXKQVOX-STQMWFEESA-N 1 3 303.410 0.639 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000626853684 397262404 /nfs/dbraw/zinc/26/24/04/397262404.db2.gz MGVSUBXEZSLMPM-UHFFFAOYSA-N 1 3 306.410 0.802 20 0 DCADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000577529165 397341167 /nfs/dbraw/zinc/34/11/67/397341167.db2.gz OJIFMWQGPPDJMS-AAEUAGOBSA-N 1 3 301.456 0.803 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000577630625 397348545 /nfs/dbraw/zinc/34/85/45/397348545.db2.gz QTWVPFMMGTUUKJ-RDJZCZTQSA-N 1 3 302.422 0.971 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410911541 397363681 /nfs/dbraw/zinc/36/36/81/397363681.db2.gz DFCBGJKLXLEPEN-KRWDZBQOSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410911541 397363687 /nfs/dbraw/zinc/36/36/87/397363687.db2.gz DFCBGJKLXLEPEN-KRWDZBQOSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419777030 397383167 /nfs/dbraw/zinc/38/31/67/397383167.db2.gz MMDBXOKUVHMZCX-QWHCGFSZSA-N 1 3 310.442 0.077 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000578504645 397444398 /nfs/dbraw/zinc/44/43/98/397444398.db2.gz WODKUKHAQQIMIK-HNNXBMFYSA-N 1 3 311.474 0.535 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471633385 397448696 /nfs/dbraw/zinc/44/86/96/397448696.db2.gz FWLNJAGUJMURMW-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471633385 397448701 /nfs/dbraw/zinc/44/87/01/397448701.db2.gz FWLNJAGUJMURMW-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO CN1CCN(CCCCNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621646643 397407503 /nfs/dbraw/zinc/40/75/03/397407503.db2.gz ZNOSBNAGAWUNJV-INIZCTEOSA-N 1 3 310.486 0.910 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000479293020 397459552 /nfs/dbraw/zinc/45/95/52/397459552.db2.gz GLKWTLYDOKHHNT-DTZQCDIJSA-N 1 3 303.406 0.488 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000578744257 397476409 /nfs/dbraw/zinc/47/64/09/397476409.db2.gz YEBYMPCLBSUNBU-CABCVRRESA-N 1 3 313.490 0.509 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000579003676 397514208 /nfs/dbraw/zinc/51/42/08/397514208.db2.gz LXOWATLCIGGESW-OAGGEKHMSA-N 1 3 311.470 0.830 20 0 DCADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000579937563 397598533 /nfs/dbraw/zinc/59/85/33/397598533.db2.gz ZYUZWDLOATUBNH-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000579937563 397598535 /nfs/dbraw/zinc/59/85/35/397598535.db2.gz ZYUZWDLOATUBNH-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089427455 158097209 /nfs/dbraw/zinc/09/72/09/158097209.db2.gz NWXULHKEHIAZDS-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089427455 158097210 /nfs/dbraw/zinc/09/72/10/158097210.db2.gz NWXULHKEHIAZDS-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000121388255 158210527 /nfs/dbraw/zinc/21/05/27/158210527.db2.gz KMEUNXSDZPMNAX-MRXNPFEDSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)C[C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)[NH+](C)C ZINC000126241063 158263442 /nfs/dbraw/zinc/26/34/42/158263442.db2.gz UDRKGYRHQSECHV-JSGCOSHPSA-N 1 3 300.447 0.178 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000359262852 159257203 /nfs/dbraw/zinc/25/72/03/159257203.db2.gz HCODDGDCIXRIOQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN(CC)C2CC2)C1 ZINC000359262852 159257206 /nfs/dbraw/zinc/25/72/06/159257206.db2.gz HCODDGDCIXRIOQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000359273622 159259890 /nfs/dbraw/zinc/25/98/90/159259890.db2.gz NHQVTVXNCNRXKH-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000359273622 159259893 /nfs/dbraw/zinc/25/98/93/159259893.db2.gz NHQVTVXNCNRXKH-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368042485 159371982 /nfs/dbraw/zinc/37/19/82/159371982.db2.gz FHMDFUFTBFGFIR-KBPBESRZSA-N 1 3 313.417 0.838 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133240657 287009559 /nfs/dbraw/zinc/00/95/59/287009559.db2.gz JMDSNMPHVHZQIN-HNNXBMFYSA-N 1 3 300.447 0.690 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000358722497 287212922 /nfs/dbraw/zinc/21/29/22/287212922.db2.gz OMYQQMCIKZBMEZ-CJNGLKHVSA-N 1 3 314.474 0.719 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000332575074 287218312 /nfs/dbraw/zinc/21/83/12/287218312.db2.gz FNYKJCVTXPLHLP-GBJTYRQASA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000332619242 287218535 /nfs/dbraw/zinc/21/85/35/287218535.db2.gz NJUMLFBZIXCPFI-TUVASFSCSA-N 1 3 322.453 0.267 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000418956811 287258028 /nfs/dbraw/zinc/25/80/28/287258028.db2.gz ZJFIWZVRPRWBLB-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000419021332 287261440 /nfs/dbraw/zinc/26/14/40/287261440.db2.gz GVIXOLZXTMEOTC-ZNMIVQPWSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCCC[NH3+])C1 ZINC000419047894 287263756 /nfs/dbraw/zinc/26/37/56/287263756.db2.gz UHMBDGMMWITOSD-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCC1 ZINC000419243637 287277337 /nfs/dbraw/zinc/27/73/37/287277337.db2.gz SPHPGUGJADXQMI-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420299880 287287252 /nfs/dbraw/zinc/28/72/52/287287252.db2.gz BTPWKZUSKPDDGS-JKSUJKDBSA-N 1 3 320.437 0.065 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@]2(CNC(=O)C2)C1 ZINC000420303448 287287814 /nfs/dbraw/zinc/28/78/14/287287814.db2.gz NKNUIWDECALRMV-BQFCYCMXSA-N 1 3 317.433 0.519 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000420303448 287287815 /nfs/dbraw/zinc/28/78/15/287287815.db2.gz NKNUIWDECALRMV-BQFCYCMXSA-N 1 3 317.433 0.519 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000420303448 287287817 /nfs/dbraw/zinc/28/78/17/287287817.db2.gz NKNUIWDECALRMV-BQFCYCMXSA-N 1 3 317.433 0.519 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420306839 287288251 /nfs/dbraw/zinc/28/82/51/287288251.db2.gz AWXKCUDKBFLBAK-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420324372 287290830 /nfs/dbraw/zinc/29/08/30/287290830.db2.gz VCNYZRYGLPFVMV-KGLIPLIRSA-N 1 3 303.472 0.780 20 0 DCADHO CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335914 287291329 /nfs/dbraw/zinc/29/13/29/287291329.db2.gz IBLNBSGQAUKKNN-MELADBBJSA-N 1 3 310.442 0.931 20 0 DCADHO C[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000332038818 415215560 /nfs/dbraw/zinc/21/55/60/415215560.db2.gz TXBKXMCYCQOWHY-KFWWJZLASA-N 1 3 312.458 0.866 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000342763707 415284454 /nfs/dbraw/zinc/28/44/54/415284454.db2.gz DHUDWUGYVRWDRK-STQMWFEESA-N 1 3 313.442 0.894 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000342763707 415284460 /nfs/dbraw/zinc/28/44/60/415284460.db2.gz DHUDWUGYVRWDRK-STQMWFEESA-N 1 3 313.442 0.894 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000342765951 415286559 /nfs/dbraw/zinc/28/65/59/415286559.db2.gz RDENDRGGVUNODH-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCC[C@H]1C(N)=O ZINC000422891904 287301973 /nfs/dbraw/zinc/30/19/73/287301973.db2.gz WSCINQRYZDQQIL-XIRDDKMYSA-N 1 3 318.465 0.874 20 0 DCADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000422891904 287301974 /nfs/dbraw/zinc/30/19/74/287301974.db2.gz WSCINQRYZDQQIL-XIRDDKMYSA-N 1 3 318.465 0.874 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCC(C)CC1 ZINC000423355891 287304886 /nfs/dbraw/zinc/30/48/86/287304886.db2.gz IWDYBFGIKXDGRW-ZDUSSCGKSA-N 1 3 308.430 0.477 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074053279 415426681 /nfs/dbraw/zinc/42/66/81/415426681.db2.gz MSUFHLNHJYGUNX-OAHLLOKOSA-N 1 3 313.490 0.509 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000074053279 415426690 /nfs/dbraw/zinc/42/66/90/415426690.db2.gz MSUFHLNHJYGUNX-OAHLLOKOSA-N 1 3 313.490 0.509 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353513336 415575003 /nfs/dbraw/zinc/57/50/03/415575003.db2.gz LCDIOWXVMNPLGA-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000353436951 415543842 /nfs/dbraw/zinc/54/38/42/415543842.db2.gz VEEZLYNBRGEALW-KKUMJFAQSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000353436951 415543848 /nfs/dbraw/zinc/54/38/48/415543848.db2.gz VEEZLYNBRGEALW-KKUMJFAQSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000353436951 415543855 /nfs/dbraw/zinc/54/38/55/415543855.db2.gz VEEZLYNBRGEALW-KKUMJFAQSA-N 1 3 310.442 0.443 20 0 DCADHO CO[C@H](C[NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000353473177 415559500 /nfs/dbraw/zinc/55/95/00/415559500.db2.gz UQKORSZESWCABN-OAHLLOKOSA-N 1 3 307.394 0.556 20 0 DCADHO [NH3+][C@H]1CCc2nc(NC(=O)C[C@H]3CSCCN3)sc2C1 ZINC000343482272 415614458 /nfs/dbraw/zinc/61/44/58/415614458.db2.gz TWZZGVMXHXRFFK-IUCAKERBSA-N 1 3 312.464 0.993 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CCC(C[NH3+])CC2)CCSC1 ZINC000333392275 415635599 /nfs/dbraw/zinc/63/55/99/415635599.db2.gz OXVMKVYDLOITDY-CQSZACIVSA-N 1 3 300.472 0.804 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000333451989 415653326 /nfs/dbraw/zinc/65/33/26/415653326.db2.gz XQPXYAZWEXWZEA-OUCADQQQSA-N 1 3 300.472 0.802 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108565293 415678046 /nfs/dbraw/zinc/67/80/46/415678046.db2.gz LZVYSZUMRGTMHO-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000108565293 415678050 /nfs/dbraw/zinc/67/80/50/415678050.db2.gz LZVYSZUMRGTMHO-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CNCCO1 ZINC000333794485 415741460 /nfs/dbraw/zinc/74/14/60/415741460.db2.gz MZDLSSYDSLYLOV-XGUBFFRZSA-N 1 3 312.458 0.640 20 0 DCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CNCCO1 ZINC000333794485 415741466 /nfs/dbraw/zinc/74/14/66/415741466.db2.gz MZDLSSYDSLYLOV-XGUBFFRZSA-N 1 3 312.458 0.640 20 0 DCADHO C[C@@H]1CN(C[C@H](O)Cn2cccn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343921947 415780968 /nfs/dbraw/zinc/78/09/68/415780968.db2.gz JMLGXEFRTZPWNG-IKGGRYGDSA-N 1 3 321.469 0.202 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356220498 415884332 /nfs/dbraw/zinc/88/43/32/415884332.db2.gz IIEYAKKCUPULMB-CQSZACIVSA-N 1 3 305.426 0.947 20 0 DCADHO CC(C)N(C)CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000356482854 415929130 /nfs/dbraw/zinc/92/91/30/415929130.db2.gz SSVPOBICNAPQKC-UHFFFAOYSA-N 1 3 308.426 0.978 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)N(C)C)CC1=O ZINC000356523273 415940825 /nfs/dbraw/zinc/94/08/25/415940825.db2.gz MIXLRYNBMDOQCG-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)N(C)C)CC1=O ZINC000356523273 415940830 /nfs/dbraw/zinc/94/08/30/415940830.db2.gz MIXLRYNBMDOQCG-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@@H]1CSCCN1 ZINC000133954551 415950707 /nfs/dbraw/zinc/95/07/07/415950707.db2.gz ZJWRKUXVLFVVIP-CHWSQXEVSA-N 1 3 303.472 0.555 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000344525375 415938235 /nfs/dbraw/zinc/93/82/35/415938235.db2.gz UHLFCTGXMOKFAC-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000344525375 415938242 /nfs/dbraw/zinc/93/82/42/415938242.db2.gz UHLFCTGXMOKFAC-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000345098555 416044296 /nfs/dbraw/zinc/04/42/96/416044296.db2.gz NWIHTBIZVLOEOH-HOTGVXAUSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2)CN1CCN(C)CC1 ZINC000357250319 416053434 /nfs/dbraw/zinc/05/34/34/416053434.db2.gz UCKZZWKIELKRGG-JFIYKMOQSA-N 1 3 322.497 0.766 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338024567 416034633 /nfs/dbraw/zinc/03/46/33/416034633.db2.gz UVKGWEATIXUGHR-DCAQKATOSA-N 1 3 310.364 0.312 20 0 DCADHO COCCN(C)CCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000357164803 416040218 /nfs/dbraw/zinc/04/02/18/416040218.db2.gz NEBPDPQFJWZEKK-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)CCCN1C ZINC000345572878 416118551 /nfs/dbraw/zinc/11/85/51/416118551.db2.gz PGPMPVCZQRRHDP-HIFRSBDPSA-N 1 3 312.458 0.473 20 0 DCADHO COc1cc(C)c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)n1 ZINC000347042716 416211254 /nfs/dbraw/zinc/21/12/54/416211254.db2.gz LTHGRTVGOQINBR-CQSZACIVSA-N 1 3 320.437 0.994 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000348105915 416231635 /nfs/dbraw/zinc/23/16/35/416231635.db2.gz GKUPKUGYTJLFFR-ARFHVFGLSA-N 1 3 324.469 0.975 20 0 DCADHO CCN1CCN(c2ccccc2CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000357965545 416161794 /nfs/dbraw/zinc/16/17/94/416161794.db2.gz KRIGWWHOVGITTM-QGZVFWFLSA-N 1 3 318.465 0.988 20 0 DCADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCCN1CCCC1=O ZINC000358518591 416249272 /nfs/dbraw/zinc/24/92/72/416249272.db2.gz QXTVMBANDCPZMH-UHFFFAOYSA-N 1 3 322.453 0.191 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)Cn2cccn2)CC1 ZINC000358577065 416256720 /nfs/dbraw/zinc/25/67/20/416256720.db2.gz HRTRIIHEXCKHIH-AWEZNQCLSA-N 1 3 307.442 0.850 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000359257036 416317479 /nfs/dbraw/zinc/31/74/79/416317479.db2.gz AQACIGWNVSRBJD-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1)C1CC1 ZINC000359257037 416317875 /nfs/dbraw/zinc/31/78/75/416317875.db2.gz AQACIGWNVSRBJD-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N(C)C1CC1 ZINC000342079443 416280366 /nfs/dbraw/zinc/28/03/66/416280366.db2.gz SMKRSVYFNIWXOZ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N(C)C1CC1 ZINC000342079443 416280367 /nfs/dbraw/zinc/28/03/67/416280367.db2.gz SMKRSVYFNIWXOZ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1CO ZINC000190843472 416283072 /nfs/dbraw/zinc/28/30/72/416283072.db2.gz LWXNYBUQPHQFHW-HYVNUMGLSA-N 1 3 319.449 0.966 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C1CC1 ZINC000359319795 416321870 /nfs/dbraw/zinc/32/18/70/416321870.db2.gz IVHLVLKNYWCURA-WFASDCNBSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)C1CC1 ZINC000359319795 416321872 /nfs/dbraw/zinc/32/18/72/416321872.db2.gz IVHLVLKNYWCURA-WFASDCNBSA-N 1 3 322.453 0.186 20 0 DCADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000359924526 416366185 /nfs/dbraw/zinc/36/61/85/416366185.db2.gz NQCRGFUOXLEHJL-CQSZACIVSA-N 1 3 314.474 0.863 20 0 DCADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000359924526 416366186 /nfs/dbraw/zinc/36/61/86/416366186.db2.gz NQCRGFUOXLEHJL-CQSZACIVSA-N 1 3 314.474 0.863 20 0 DCADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000359927919 416366650 /nfs/dbraw/zinc/36/66/50/416366650.db2.gz ZIRPQBWADDMHQM-UKRRQHHQSA-N 1 3 300.447 0.473 20 0 DCADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000359927919 416366651 /nfs/dbraw/zinc/36/66/51/416366651.db2.gz ZIRPQBWADDMHQM-UKRRQHHQSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000419847169 416414481 /nfs/dbraw/zinc/41/44/81/416414481.db2.gz ICINENNQIOVUNY-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000419847167 416414709 /nfs/dbraw/zinc/41/47/09/416414709.db2.gz ICINENNQIOVUNY-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420064920 416416867 /nfs/dbraw/zinc/41/68/67/416416867.db2.gz PEEZEHQIJARZPK-SOUVJXGZSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416814562 416377699 /nfs/dbraw/zinc/37/76/99/416377699.db2.gz VNYWBEGYWFMDCK-LSDHHAIUSA-N 1 3 306.410 0.658 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418118428 416385803 /nfs/dbraw/zinc/38/58/03/416385803.db2.gz SXISDBJTHMRGAW-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000418830000 416391044 /nfs/dbraw/zinc/39/10/44/416391044.db2.gz HLLXUOULMDVAIN-UKRRQHHQSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C)[C@@H](CNC(=O)C(=O)NCCCC[NH3+])Cc1ccccc1 ZINC000418830230 416391152 /nfs/dbraw/zinc/39/11/52/416391152.db2.gz FPRFKZPDRFHALK-OAHLLOKOSA-N 1 3 320.437 0.131 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419117425 416396624 /nfs/dbraw/zinc/39/66/24/416396624.db2.gz HEBGGBZRHDFVCL-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1)C1CC1 ZINC000419117138 416396826 /nfs/dbraw/zinc/39/68/26/416396826.db2.gz ZOQCMWOSKKEWRS-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419142419 416397178 /nfs/dbraw/zinc/39/71/78/416397178.db2.gz BXUXCWOMMUYHGR-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419413600 416400843 /nfs/dbraw/zinc/40/08/43/416400843.db2.gz SEPHCKLOLLFNRO-AWEZNQCLSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419415080 416400969 /nfs/dbraw/zinc/40/09/69/416400969.db2.gz UQGLWXJSVMNCTA-GJZGRUSLSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419416012 416401768 /nfs/dbraw/zinc/40/17/68/416401768.db2.gz VQQIFTGGYMTOIO-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419528039 416403789 /nfs/dbraw/zinc/40/37/89/416403789.db2.gz VVHMXGFDLZJZIW-AJNGGQMLSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)C1=CCN(C)CC1 ZINC000419623356 416404218 /nfs/dbraw/zinc/40/42/18/416404218.db2.gz IEGZUDQEYUGMDH-CYBMUJFWSA-N 1 3 322.453 0.531 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419754792 416408953 /nfs/dbraw/zinc/40/89/53/416408953.db2.gz AQSQAERUOKDGMC-QWHCGFSZSA-N 1 3 312.458 0.323 20 0 DCADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000360800640 416410738 /nfs/dbraw/zinc/41/07/38/416410738.db2.gz PAGBWVNCGYUTSP-DZGCQCFKSA-N 1 3 300.447 0.473 20 0 DCADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000360800640 416410740 /nfs/dbraw/zinc/41/07/40/416410740.db2.gz PAGBWVNCGYUTSP-DZGCQCFKSA-N 1 3 300.447 0.473 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419782115 416410835 /nfs/dbraw/zinc/41/08/35/416410835.db2.gz TWKHQMQKBWRXBQ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423061957 416461493 /nfs/dbraw/zinc/46/14/93/416461493.db2.gz LWODYZBYMZVBOL-KGLIPLIRSA-N 1 3 312.458 0.228 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000423060631 416463309 /nfs/dbraw/zinc/46/33/09/416463309.db2.gz ISNXGGKNLTYTCP-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000458421597 416465388 /nfs/dbraw/zinc/46/53/88/416465388.db2.gz BHTPERIJLWSGRN-CQSZACIVSA-N 1 3 313.490 0.509 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423123303 416468366 /nfs/dbraw/zinc/46/83/66/416468366.db2.gz MHVYVUTWNRLGJP-GJZGRUSLSA-N 1 3 324.469 0.374 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000458448737 416471199 /nfs/dbraw/zinc/47/11/99/416471199.db2.gz YEBNNFYGMDXMQC-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000458448737 416471205 /nfs/dbraw/zinc/47/12/05/416471205.db2.gz YEBNNFYGMDXMQC-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423200753 416477869 /nfs/dbraw/zinc/47/78/69/416477869.db2.gz NBLIXJZHHKYWPP-KGLIPLIRSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423199884 416478598 /nfs/dbraw/zinc/47/85/98/416478598.db2.gz LEHPSRLMQSJDTI-WMLDXEAASA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000423241161 416480100 /nfs/dbraw/zinc/48/01/00/416480100.db2.gz UQDXYYFWDBLJFJ-TZMCWYRMSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000423241158 416480618 /nfs/dbraw/zinc/48/06/18/416480618.db2.gz UQDXYYFWDBLJFJ-GXTWGEPZSA-N 1 3 310.442 0.125 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)C1 ZINC000423227843 416481037 /nfs/dbraw/zinc/48/10/37/416481037.db2.gz XGKCOKNVQHURGO-HUUCEWRRSA-N 1 3 322.453 0.413 20 0 DCADHO COCCN1CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000583928557 416485137 /nfs/dbraw/zinc/48/51/37/416485137.db2.gz DTGCCAQQZWCMTF-CQSZACIVSA-N 1 3 305.426 0.624 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000583922116 416485699 /nfs/dbraw/zinc/48/56/99/416485699.db2.gz VGJHFCOGMPVNCN-HNNXBMFYSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000583922116 416485702 /nfs/dbraw/zinc/48/57/02/416485702.db2.gz VGJHFCOGMPVNCN-HNNXBMFYSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422324523 416426048 /nfs/dbraw/zinc/42/60/48/416426048.db2.gz WVKBKZNGBCZFMD-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423544368 416523250 /nfs/dbraw/zinc/52/32/50/416523250.db2.gz CRQBHKRTJHVLDK-MJBXVCDLSA-N 1 3 308.426 0.021 20 0 DCADHO CC1(C)CC(NC(=O)[C@H]2CN3CCN2CCC3)CC(C)(C)[NH2+]1 ZINC000535717396 416526274 /nfs/dbraw/zinc/52/62/74/416526274.db2.gz JBMSDHMUVHAKEL-CQSZACIVSA-N 1 3 308.470 0.802 20 0 DCADHO N[C@@H](CC1CCCCC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423649108 416536616 /nfs/dbraw/zinc/53/66/16/416536616.db2.gz OWWMUQRCSDKYSV-CVEARBPZSA-N 1 3 308.470 0.790 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423717481 416546077 /nfs/dbraw/zinc/54/60/77/416546077.db2.gz ABGYHPZDLFDDNA-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCC(=O)NC1CCCC1 ZINC000436059963 416547107 /nfs/dbraw/zinc/54/71/07/416547107.db2.gz PETKYAJPZBKQFV-OAHLLOKOSA-N 1 3 324.469 0.755 20 0 DCADHO CC(C)CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000423760506 416562409 /nfs/dbraw/zinc/56/24/09/416562409.db2.gz NLKOUEOAQRKGTI-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423724739 416549058 /nfs/dbraw/zinc/54/90/58/416549058.db2.gz NDQDQPMEFMJZHU-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)[C@@H]1CN ZINC000423726123 416549513 /nfs/dbraw/zinc/54/95/13/416549513.db2.gz IDXQKWHYMDXRIT-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)[C@H]1CN ZINC000423728377 416551498 /nfs/dbraw/zinc/55/14/98/416551498.db2.gz JOAHBROGEWZQDZ-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535072960 416515797 /nfs/dbraw/zinc/51/57/97/416515797.db2.gz FVJLSLLCJXEZDH-HNNXBMFYSA-N 1 3 306.454 0.463 20 0 DCADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423766827 416563019 /nfs/dbraw/zinc/56/30/19/416563019.db2.gz CWKNWZXUTSZMOL-YDHLFZDLSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423766827 416563022 /nfs/dbraw/zinc/56/30/22/416563022.db2.gz CWKNWZXUTSZMOL-YDHLFZDLSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000364852506 416594182 /nfs/dbraw/zinc/59/41/82/416594182.db2.gz VKUXURMDPUVNSD-JKSUJKDBSA-N 1 3 308.470 0.755 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CCOC2CNC2)C[C@H]1c1ccccc1F ZINC000424033963 416605765 /nfs/dbraw/zinc/60/57/65/416605765.db2.gz ZBYUKXNEUBOUPN-DZGCQCFKSA-N 1 3 307.369 0.457 20 0 DCADHO N[C@@H]1Cc2ccccc2N(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424069773 416607764 /nfs/dbraw/zinc/60/77/64/416607764.db2.gz CEFGEIGKLOJGQH-ZIAGYGMSSA-N 1 3 316.405 0.161 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CC[C@H]1c1ccc(F)cc1 ZINC000424041562 416607978 /nfs/dbraw/zinc/60/79/78/416607978.db2.gz IDYSVFPMPQUIIR-OWCLPIDISA-N 1 3 321.396 0.847 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000423790066 416568440 /nfs/dbraw/zinc/56/84/40/416568440.db2.gz YZWYVSHMNPUZCX-YCPHGPKFSA-N 1 3 324.469 0.560 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000423790066 416568446 /nfs/dbraw/zinc/56/84/46/416568446.db2.gz YZWYVSHMNPUZCX-YCPHGPKFSA-N 1 3 324.469 0.560 20 0 DCADHO CC1CCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424133959 416614409 /nfs/dbraw/zinc/61/44/09/416614409.db2.gz MZYALFXTFKOXMG-CQSZACIVSA-N 1 3 320.441 0.664 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCCCC1 ZINC000514824477 416678929 /nfs/dbraw/zinc/67/89/29/416678929.db2.gz IKQCQRKBWSYNNS-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCCCNC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000439542695 416617420 /nfs/dbraw/zinc/61/74/20/416617420.db2.gz PQRBVHARUHBWMM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCCCNC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000439542695 416617424 /nfs/dbraw/zinc/61/74/24/416617424.db2.gz PQRBVHARUHBWMM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO NC1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCOCC1 ZINC000424191423 416625022 /nfs/dbraw/zinc/62/50/22/416625022.db2.gz HKDZTHLOJFLAES-GXTWGEPZSA-N 1 3 307.369 0.587 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000440914516 416653360 /nfs/dbraw/zinc/65/33/60/416653360.db2.gz SBISVSJPUHOIFY-GJZGRUSLSA-N 1 3 308.470 0.755 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000440914516 416653362 /nfs/dbraw/zinc/65/33/62/416653362.db2.gz SBISVSJPUHOIFY-GJZGRUSLSA-N 1 3 308.470 0.755 20 0 DCADHO [NH3+]CCCc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228643 416748781 /nfs/dbraw/zinc/74/87/81/416748781.db2.gz BVMMGIBSUUNMLX-KRWDZBQOSA-N 1 3 315.421 0.806 20 0 DCADHO COCC[C@H](C)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631828428 416752496 /nfs/dbraw/zinc/75/24/96/416752496.db2.gz OUACKHUGOKCHGX-NWANDNLSSA-N 1 3 310.442 0.632 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614848717 416712997 /nfs/dbraw/zinc/71/29/97/416712997.db2.gz SNJXVBLWAWEVSD-DLBZAZTESA-N 1 3 319.449 0.905 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000614853743 416715454 /nfs/dbraw/zinc/71/54/54/416715454.db2.gz HITXDQYUSOAQGZ-JKSUJKDBSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000614853743 416715457 /nfs/dbraw/zinc/71/54/57/416715457.db2.gz HITXDQYUSOAQGZ-JKSUJKDBSA-N 1 3 320.437 0.332 20 0 DCADHO C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000557139411 416725229 /nfs/dbraw/zinc/72/52/29/416725229.db2.gz FNUZOCKAIRUJGP-HUUCEWRRSA-N 1 3 311.474 0.391 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000427493122 416823450 /nfs/dbraw/zinc/82/34/50/416823450.db2.gz QUNHCCRAMAHELK-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000427493122 416823456 /nfs/dbraw/zinc/82/34/56/416823456.db2.gz QUNHCCRAMAHELK-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000516939324 416760067 /nfs/dbraw/zinc/76/00/67/416760067.db2.gz UPRWVWQENODENU-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631923716 416803467 /nfs/dbraw/zinc/80/34/67/416803467.db2.gz XBBYOMQZIQWWEB-TZMCWYRMSA-N 1 3 318.487 0.187 20 0 DCADHO CCOC[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000518759990 416873174 /nfs/dbraw/zinc/87/31/74/416873174.db2.gz HNLJLOQNZPUNAV-DLBZAZTESA-N 1 3 308.422 0.740 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000445030716 416879542 /nfs/dbraw/zinc/87/95/42/416879542.db2.gz FQOYZPLKGCGNEI-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000445030716 416879547 /nfs/dbraw/zinc/87/95/47/416879547.db2.gz FQOYZPLKGCGNEI-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCN1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445875605 416901039 /nfs/dbraw/zinc/90/10/39/416901039.db2.gz ONBIJQPHTUVJMI-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519538496 416911413 /nfs/dbraw/zinc/91/14/13/416911413.db2.gz IHZPCNXAKOLTEF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC1CC[NH+](C[C@@H]2CCCN(c3nc(N)nc(N)n3)C2)CC1 ZINC000623911811 416920518 /nfs/dbraw/zinc/92/05/18/416920518.db2.gz OAFQRCNXPATTGM-LBPRGKRZSA-N 1 3 305.430 0.645 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000565123237 416926572 /nfs/dbraw/zinc/92/65/72/416926572.db2.gz MXLYTFPHDXRGLQ-UHFFFAOYSA-N 1 3 310.442 0.126 20 0 DCADHO C[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000565216323 416946288 /nfs/dbraw/zinc/94/62/88/416946288.db2.gz POQPQWWJPYZBKG-ZDUSSCGKSA-N 1 3 305.422 0.867 20 0 DCADHO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1[nH]nc2c1CNCC2 ZINC000375964883 417017545 /nfs/dbraw/zinc/01/75/45/417017545.db2.gz OXHDOJKBMGKKSX-HNNXBMFYSA-N 1 3 311.389 0.672 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C1=CCN(C)CC1 ZINC000521614491 417020185 /nfs/dbraw/zinc/02/01/85/417020185.db2.gz RJKLTDABOVIOHO-JYYAWHABSA-N 1 3 311.470 0.697 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000520775942 416974021 /nfs/dbraw/zinc/97/40/21/416974021.db2.gz SCSOZVPTUPEXDJ-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000520839448 416980697 /nfs/dbraw/zinc/98/06/97/416980697.db2.gz FDDRSMJZLREPTQ-QLFBSQMISA-N 1 3 322.453 0.267 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)[C@H](C)C1 ZINC000624228488 416984241 /nfs/dbraw/zinc/98/42/41/416984241.db2.gz UBULBFFZSBKUIJ-BRWVUGGUSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CC[C@@H](O)C2)[C@H](C)C1 ZINC000624228488 416984250 /nfs/dbraw/zinc/98/42/50/416984250.db2.gz UBULBFFZSBKUIJ-BRWVUGGUSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CC[C@@H](O)C2)[C@H](C)C1 ZINC000624228488 416984256 /nfs/dbraw/zinc/98/42/56/416984256.db2.gz UBULBFFZSBKUIJ-BRWVUGGUSA-N 1 3 313.486 0.780 20 0 DCADHO C(C[NH+]1CCC(CN2CCOCC2)CC1)N1CCCOCC1 ZINC000429714922 416993337 /nfs/dbraw/zinc/99/33/37/416993337.db2.gz YLHFGADLSBPRDV-UHFFFAOYSA-N 1 3 311.470 0.753 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000565707153 417005950 /nfs/dbraw/zinc/00/59/50/417005950.db2.gz HYEWZGWBKJUFSM-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000637435138 417097320 /nfs/dbraw/zinc/09/73/20/417097320.db2.gz QQNJWQGMBFURNB-UHFFFAOYSA-N 1 3 313.490 0.700 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431028823 417097521 /nfs/dbraw/zinc/09/75/21/417097521.db2.gz UXNZTYHEARRRIZ-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642785725 417100139 /nfs/dbraw/zinc/10/01/39/417100139.db2.gz FQFPJCMMTCZRQG-HIFRSBDPSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@@H]1C[NH3+] ZINC000642785809 417101571 /nfs/dbraw/zinc/10/15/71/417101571.db2.gz MBAPDPAPBUMWBD-BPLDGKMQSA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000624493641 417045823 /nfs/dbraw/zinc/04/58/23/417045823.db2.gz MGNCXJCMLGXSQU-UHFFFAOYSA-N 1 3 321.469 0.743 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCCOC1 ZINC000637324690 417071628 /nfs/dbraw/zinc/07/16/28/417071628.db2.gz FFOJDKOCDZTWQL-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[NH2+]CC1CC1 ZINC000430880452 417077572 /nfs/dbraw/zinc/07/75/72/417077572.db2.gz XTFKHPIGIODDAQ-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000642731715 417084865 /nfs/dbraw/zinc/08/48/65/417084865.db2.gz SLIJWBAGOBDUQJ-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000637379881 417086122 /nfs/dbraw/zinc/08/61/22/417086122.db2.gz KZPIHINAIIWXQC-HUUCEWRRSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000637379881 417086128 /nfs/dbraw/zinc/08/61/28/417086128.db2.gz KZPIHINAIIWXQC-HUUCEWRRSA-N 1 3 310.442 0.321 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642755835 417089271 /nfs/dbraw/zinc/08/92/71/417089271.db2.gz CDWCZKCXWFLKRK-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000642755920 417089576 /nfs/dbraw/zinc/08/95/76/417089576.db2.gz ZUWZATKSUPJHCO-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC000568169568 417089777 /nfs/dbraw/zinc/08/97/77/417089777.db2.gz NTGALDVXYKEBQX-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC000568169568 417089781 /nfs/dbraw/zinc/08/97/81/417089781.db2.gz NTGALDVXYKEBQX-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000642773344 417093898 /nfs/dbraw/zinc/09/38/98/417093898.db2.gz SQNHBWFNMIBVJL-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000419414696 287348877 /nfs/dbraw/zinc/34/88/77/287348877.db2.gz UGNOARDJOVQBTE-RBSFLKMASA-N 1 3 324.469 0.468 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000449116042 417121985 /nfs/dbraw/zinc/12/19/85/417121985.db2.gz JWNJAKWNKPIPRN-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262217371 287349512 /nfs/dbraw/zinc/34/95/12/287349512.db2.gz JFPDLKFKUWWHEJ-OAHLLOKOSA-N 1 3 319.453 0.810 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000637532549 417133526 /nfs/dbraw/zinc/13/35/26/417133526.db2.gz GSQCZVMTYUZPKJ-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CN1C1CC1 ZINC000568391141 417130246 /nfs/dbraw/zinc/13/02/46/417130246.db2.gz DJIGXVYAZCRHEO-VXGBXAGGSA-N 1 3 306.414 0.372 20 0 DCADHO CN(C)CCOc1cccc(C[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000568621073 417157623 /nfs/dbraw/zinc/15/76/23/417157623.db2.gz LXPOTYKGOVXAHM-MRXNPFEDSA-N 1 3 318.421 0.974 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC[C@@H](O)Cn2cccn2)c1 ZINC000568621073 417157629 /nfs/dbraw/zinc/15/76/29/417157629.db2.gz LXPOTYKGOVXAHM-MRXNPFEDSA-N 1 3 318.421 0.974 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410887523 417183859 /nfs/dbraw/zinc/18/38/59/417183859.db2.gz RCGIAXHLIBGZRI-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000637823430 417199628 /nfs/dbraw/zinc/19/96/28/417199628.db2.gz HCXVHJOFOQMCJI-ZDUSSCGKSA-N 1 3 303.410 0.772 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000637823430 417199635 /nfs/dbraw/zinc/19/96/35/417199635.db2.gz HCXVHJOFOQMCJI-ZDUSSCGKSA-N 1 3 303.410 0.772 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N(C)CCOCC[NH3+])CCSC1 ZINC000626993225 417200430 /nfs/dbraw/zinc/20/04/30/417200430.db2.gz RLMSYEIUKLPKOC-CYBMUJFWSA-N 1 3 304.460 0.040 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000637848682 417206881 /nfs/dbraw/zinc/20/68/81/417206881.db2.gz UPBBNUMIXGKBFW-CABCVRRESA-N 1 3 315.458 0.557 20 0 DCADHO CNS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000643454622 417211216 /nfs/dbraw/zinc/21/12/16/417211216.db2.gz SFXGRTWAUSHCKG-LSDHHAIUSA-N 1 3 311.451 0.953 20 0 DCADHO C[C@H](CCNC(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCCCC1 ZINC000569093715 417213961 /nfs/dbraw/zinc/21/39/61/417213961.db2.gz MCZURKIFJRVUGB-CABCVRRESA-N 1 3 311.474 0.535 20 0 DCADHO CN(CCNC(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1ccccc1 ZINC000569092999 417214251 /nfs/dbraw/zinc/21/42/51/417214251.db2.gz KSTFZLMGJPGNIB-MRXNPFEDSA-N 1 3 319.453 0.403 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000527131115 417215865 /nfs/dbraw/zinc/21/58/65/417215865.db2.gz FJTCCJXNOXFGEJ-ZNMIVQPWSA-N 1 3 312.458 0.689 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643482900 417222657 /nfs/dbraw/zinc/22/26/57/417222657.db2.gz TWEMWESJMZVEPN-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000643494689 417224127 /nfs/dbraw/zinc/22/41/27/417224127.db2.gz ZJXKVDFACPKIDJ-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C[NH+](C)C ZINC000569796775 417293270 /nfs/dbraw/zinc/29/32/70/417293270.db2.gz HCJOLVGGOVCIHR-MAUKXSAKSA-N 1 3 319.449 0.937 20 0 DCADHO CC(C)CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433132786 417232124 /nfs/dbraw/zinc/23/21/24/417232124.db2.gz CMNZSEMDNBEVOQ-UHFFFAOYSA-N 1 3 310.486 0.990 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000643552935 417242563 /nfs/dbraw/zinc/24/25/63/417242563.db2.gz ZIHKSCKKEKGZDY-MELADBBJSA-N 1 3 322.453 0.125 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433390349 417264683 /nfs/dbraw/zinc/26/46/83/417264683.db2.gz ZQVMWWLXQZRZNN-ZIAGYGMSSA-N 1 3 322.457 0.909 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000415263359 417349599 /nfs/dbraw/zinc/34/95/99/417349599.db2.gz AQNKEMIKJPCRQW-CYBMUJFWSA-N 1 3 304.394 0.636 20 0 DCADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)NCCN ZINC000415267377 417349685 /nfs/dbraw/zinc/34/96/85/417349685.db2.gz ISVGGFWQNLVDLI-UHFFFAOYSA-N 1 3 322.409 0.421 20 0 DCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083364 417350062 /nfs/dbraw/zinc/35/00/62/417350062.db2.gz AZZZTWZMFHGUIP-AEGPPILISA-N 1 3 322.453 0.138 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)ccc1CN(C)C ZINC000415271763 417352607 /nfs/dbraw/zinc/35/26/07/417352607.db2.gz OSPIYQCPXYRSEP-AWEZNQCLSA-N 1 3 318.421 0.945 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633096378 417358349 /nfs/dbraw/zinc/35/83/49/417358349.db2.gz FJWMFSNIXRDHOE-GASCZTMLSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000638157747 417360055 /nfs/dbraw/zinc/36/00/55/417360055.db2.gz ZEVWHRTZWUKAQX-DETPVDSQSA-N 1 3 304.394 0.603 20 0 DCADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000638157749 417360567 /nfs/dbraw/zinc/36/05/67/417360567.db2.gz ZEVWHRTZWUKAQX-PVXIVEMSSA-N 1 3 304.394 0.603 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c1 ZINC000414761216 417301976 /nfs/dbraw/zinc/30/19/76/417301976.db2.gz IHLWYGVORXBQLH-GFCCVEGCSA-N 1 3 306.410 0.801 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638063598 417305622 /nfs/dbraw/zinc/30/56/22/417305622.db2.gz NLHBKGIKKRXSJX-LSDHHAIUSA-N 1 3 307.394 0.359 20 0 DCADHO COCCN1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638101337 417326953 /nfs/dbraw/zinc/32/69/53/417326953.db2.gz PDOXSPANHBQROT-GDBMZVCRSA-N 1 3 321.421 0.402 20 0 DCADHO COC(=O)[C@]1(C)CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000415144271 417333864 /nfs/dbraw/zinc/33/38/64/417333864.db2.gz VBSBMLLGJZOLSB-CZUORRHYSA-N 1 3 311.426 0.459 20 0 DCADHO COC(=O)[C@]1(C)CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000415144271 417333869 /nfs/dbraw/zinc/33/38/69/417333869.db2.gz VBSBMLLGJZOLSB-CZUORRHYSA-N 1 3 311.426 0.459 20 0 DCADHO C[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](C[NH3+])C1 ZINC000415225462 417344654 /nfs/dbraw/zinc/34/46/54/417344654.db2.gz ZXOGPDYYSFQCFO-QWHCGFSZSA-N 1 3 308.430 1.036 20 0 DCADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000415249827 417347805 /nfs/dbraw/zinc/34/78/05/417347805.db2.gz GMSSFASXLHMYRT-CORIIIEPSA-N 1 3 316.405 0.807 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000638262322 417395570 /nfs/dbraw/zinc/39/55/70/417395570.db2.gz NSVNDCIKYJTGLZ-HNNXBMFYSA-N 1 3 304.438 0.786 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000638262542 417395822 /nfs/dbraw/zinc/39/58/22/417395822.db2.gz MSKSQZWNTZIINV-JKSUJKDBSA-N 1 3 318.465 0.950 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000638342949 417427108 /nfs/dbraw/zinc/42/71/08/417427108.db2.gz PFMHRUVEQDLMJA-GJZGRUSLSA-N 1 3 315.458 0.415 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622026244 417370083 /nfs/dbraw/zinc/37/00/83/417370083.db2.gz HNVLECOLKGNMTG-RHSMWYFYSA-N 1 3 322.453 0.269 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638221793 417380434 /nfs/dbraw/zinc/38/04/34/417380434.db2.gz ZCYVFDDDRDWCON-RDJZCZTQSA-N 1 3 304.438 0.643 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638540844 417487259 /nfs/dbraw/zinc/48/72/59/417487259.db2.gz AQOXKKYGBHHFBL-OAHLLOKOSA-N 1 3 320.437 0.070 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000638388033 417437636 /nfs/dbraw/zinc/43/76/36/417437636.db2.gz NTVYDJRDSOZVFF-HNNXBMFYSA-N 1 3 304.438 0.691 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000638524805 417483249 /nfs/dbraw/zinc/48/32/49/417483249.db2.gz SHMXSGOGHQBVHN-UHFFFAOYSA-N 1 3 318.421 0.916 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000638730268 417544519 /nfs/dbraw/zinc/54/45/19/417544519.db2.gz XKVZUTVZMHXDPO-UHFFFAOYSA-N 1 3 313.442 0.326 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000167403495 545877748 /nfs/dbraw/zinc/87/77/48/545877748.db2.gz BPKHPZNNYBXYQE-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](Cc3ccccc3-n3cncn3)C2)nn1 ZINC000635000093 417554431 /nfs/dbraw/zinc/55/44/31/417554431.db2.gz GWOQWCYKSBMFSF-HNNXBMFYSA-N 1 3 324.392 0.765 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](Cc3ccccc3-n3cncn3)C2)nn1 ZINC000635000093 417554438 /nfs/dbraw/zinc/55/44/38/417554438.db2.gz GWOQWCYKSBMFSF-HNNXBMFYSA-N 1 3 324.392 0.765 20 0 DCADHO CNS(=O)(=O)CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000635008746 417556796 /nfs/dbraw/zinc/55/67/96/417556796.db2.gz UVXFRZHLEXZMED-MGPQQGTHSA-N 1 3 303.472 0.826 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC1(C[NH3+])CCOCC1 ZINC000638633322 417520205 /nfs/dbraw/zinc/52/02/05/417520205.db2.gz ZWZBJNQTOHIOHW-HNNXBMFYSA-N 1 3 320.437 0.070 20 0 DCADHO CN(C)CCN1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635135408 417586041 /nfs/dbraw/zinc/58/60/41/417586041.db2.gz CTOGQEOBWUZNOU-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cc(N2CCNCC2)ccn1 ZINC000638983794 417596460 /nfs/dbraw/zinc/59/64/60/417596460.db2.gz GDEOLGLQDVDFBQ-CYBMUJFWSA-N 1 3 303.410 0.819 20 0 DCADHO CC1(C)CC[NH2+][C@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638986224 417599360 /nfs/dbraw/zinc/59/93/60/417599360.db2.gz XDTJCIDZAPNRSQ-AWEZNQCLSA-N 1 3 303.410 0.818 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638986134 417600032 /nfs/dbraw/zinc/60/00/32/417600032.db2.gz VYCBGSGQMAGTFI-WMLDXEAASA-N 1 3 315.421 0.819 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)CN3CC[NH2+]CC3)C2)cc1 ZINC000639000811 417602010 /nfs/dbraw/zinc/60/20/10/417602010.db2.gz CYCVRMFVAXXUSZ-KRWDZBQOSA-N 1 3 316.449 0.591 20 0 DCADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000455429039 417606250 /nfs/dbraw/zinc/60/62/50/417606250.db2.gz IXCCCGICBSHACZ-UONOGXRCSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCC[C@@H](C)C1 ZINC000644521719 417612818 /nfs/dbraw/zinc/61/28/18/417612818.db2.gz DIDSJEGOMXTAFO-IKGGRYGDSA-N 1 3 312.502 0.305 20 0 DCADHO C[C@@H](CNC[C@H](O)CN1CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000644521719 417612824 /nfs/dbraw/zinc/61/28/24/417612824.db2.gz DIDSJEGOMXTAFO-IKGGRYGDSA-N 1 3 312.502 0.305 20 0 DCADHO C[C@@H](CNC[C@H](O)CN1CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000644521719 417612827 /nfs/dbraw/zinc/61/28/27/417612827.db2.gz DIDSJEGOMXTAFO-IKGGRYGDSA-N 1 3 312.502 0.305 20 0 DCADHO CN1CCN(CCC[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638849657 417567899 /nfs/dbraw/zinc/56/78/99/417567899.db2.gz YTBBSMAACFMSCA-UHFFFAOYSA-N 1 3 312.502 0.449 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@H]1CCCC(=O)N1 ZINC000644635056 417635068 /nfs/dbraw/zinc/63/50/68/417635068.db2.gz NJAMHUFNDRWCGL-HZPDHXFCSA-N 1 3 305.422 0.738 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@H]1CCCC(=O)N1 ZINC000644635056 417635073 /nfs/dbraw/zinc/63/50/73/417635073.db2.gz NJAMHUFNDRWCGL-HZPDHXFCSA-N 1 3 305.422 0.738 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000457106634 417688180 /nfs/dbraw/zinc/68/81/80/417688180.db2.gz DICMJRSSIMHEJC-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000457106634 417688184 /nfs/dbraw/zinc/68/81/84/417688184.db2.gz DICMJRSSIMHEJC-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@H]3O)CC2)CC1 ZINC000645004288 417691935 /nfs/dbraw/zinc/69/19/35/417691935.db2.gz XIAKGRYLVXVYJH-HUUCEWRRSA-N 1 3 310.442 0.368 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCc3ncnn32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000639553085 417693677 /nfs/dbraw/zinc/69/36/77/417693677.db2.gz KILHNWKXYNBSKP-OWCLPIDISA-N 1 3 318.469 0.723 20 0 DCADHO CN1CCC(C[NH2+][C@H]2CCCNC(=O)C2)(N2CCOCC2)CC1 ZINC000639261657 417646676 /nfs/dbraw/zinc/64/66/76/417646676.db2.gz PWPREICSLIFYMO-HNNXBMFYSA-N 1 3 324.469 0.041 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635560258 417702491 /nfs/dbraw/zinc/70/24/91/417702491.db2.gz JUHCRWJLTOYAAO-HZPDHXFCSA-N 1 3 310.486 0.718 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635560258 417702494 /nfs/dbraw/zinc/70/24/94/417702494.db2.gz JUHCRWJLTOYAAO-HZPDHXFCSA-N 1 3 310.486 0.718 20 0 DCADHO CN(CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000532010697 417652719 /nfs/dbraw/zinc/65/27/19/417652719.db2.gz IYCAOQUUERDCMR-HZPDHXFCSA-N 1 3 324.469 0.758 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000635485927 417677233 /nfs/dbraw/zinc/67/72/33/417677233.db2.gz HYWHWULYGSVEGF-DZGCQCFKSA-N 1 3 322.453 0.269 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000635485927 417677238 /nfs/dbraw/zinc/67/72/38/417677238.db2.gz HYWHWULYGSVEGF-DZGCQCFKSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000577232263 417677295 /nfs/dbraw/zinc/67/72/95/417677295.db2.gz YXYRVSSXJARXTR-SPWCGHHHSA-N 1 3 316.405 0.093 20 0 DCADHO CN1CCC2(CC1)CN(C(=O)NCC1([NH+](C)C)CCC1)CCO2 ZINC000645458006 417743867 /nfs/dbraw/zinc/74/38/67/417743867.db2.gz GIBDRQLSIGNVFS-UHFFFAOYSA-N 1 3 324.469 0.977 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000662622424 417824730 /nfs/dbraw/zinc/82/47/30/417824730.db2.gz RHJFJFTXYHHNQQ-WTUNAVPPSA-N 1 3 307.438 0.790 20 0 DCADHO CCCN(C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CCN(C)C1 ZINC000646285505 417827862 /nfs/dbraw/zinc/82/78/62/417827862.db2.gz IZYGZDVUKCPLEJ-CQSZACIVSA-N 1 3 322.457 1.393 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444184185 287417555 /nfs/dbraw/zinc/41/75/55/287417555.db2.gz PAHCLCVQHZIQTB-RHSMWYFYSA-N 1 3 309.454 0.992 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(CN)o3)C2)CC1 ZINC000645977699 417836941 /nfs/dbraw/zinc/83/69/41/417836941.db2.gz JBESNVKEIXEAKM-GFCCVEGCSA-N 1 3 306.410 0.637 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(CN)o3)C2)CC1 ZINC000645977699 417836944 /nfs/dbraw/zinc/83/69/44/417836944.db2.gz JBESNVKEIXEAKM-GFCCVEGCSA-N 1 3 306.410 0.637 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(CN)o3)C2)CC1 ZINC000645977699 417836948 /nfs/dbraw/zinc/83/69/48/417836948.db2.gz JBESNVKEIXEAKM-GFCCVEGCSA-N 1 3 306.410 0.637 20 0 DCADHO C[NH+](C)CCCOC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000646162802 417791217 /nfs/dbraw/zinc/79/12/17/417791217.db2.gz DKOXHVFLZSEHIA-NSHDSACASA-N 1 3 311.348 0.835 20 0 DCADHO CC(C)[NH2+]CC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000662529014 417793864 /nfs/dbraw/zinc/79/38/64/417793864.db2.gz LQDJXNCUXOQIQI-UHFFFAOYSA-N 1 3 320.437 0.592 20 0 DCADHO COC1CCN(CCNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000646181128 417799373 /nfs/dbraw/zinc/79/93/73/417799373.db2.gz YDSRLVPIOHBCHR-UHFFFAOYSA-N 1 3 313.442 0.500 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000635964173 417819982 /nfs/dbraw/zinc/81/99/82/417819982.db2.gz RIVUVUQTEASGBA-GJZGRUSLSA-N 1 3 315.458 0.522 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000635964174 417820487 /nfs/dbraw/zinc/82/04/87/417820487.db2.gz RIVUVUQTEASGBA-HUUCEWRRSA-N 1 3 315.458 0.522 20 0 DCADHO COCCNCC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662615311 417822439 /nfs/dbraw/zinc/82/24/39/417822439.db2.gz ZULJUEGDKCJOHA-UHFFFAOYSA-N 1 3 313.442 0.230 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000646011961 417849026 /nfs/dbraw/zinc/84/90/26/417849026.db2.gz CPMNULNVDCMVBG-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO O=C(NCCCN1CCC(O)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662681244 417849233 /nfs/dbraw/zinc/84/92/33/417849233.db2.gz XICHXGVPMIKAKN-CYBMUJFWSA-N 1 3 323.359 0.491 20 0 DCADHO C[NH+](C)CCN1CCC(CNCc2nnn(C(C)(C)C)n2)CC1 ZINC000657348473 417852804 /nfs/dbraw/zinc/85/28/04/417852804.db2.gz XHWQXXSOFLPMCT-UHFFFAOYSA-N 1 3 323.489 0.791 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662694455 417855866 /nfs/dbraw/zinc/85/58/66/417855866.db2.gz QNWKJUYUPLHNLX-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662703970 417861310 /nfs/dbraw/zinc/86/13/10/417861310.db2.gz QEPQHZCCZMBJCB-LBPRGKRZSA-N 1 3 306.414 0.417 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662726452 417875333 /nfs/dbraw/zinc/87/53/33/417875333.db2.gz PTNNUWOBYIRPBG-ZIAGYGMSSA-N 1 3 313.442 0.356 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000662730541 417876908 /nfs/dbraw/zinc/87/69/08/417876908.db2.gz IMDQYFAECPJHPZ-KBMXLJTQSA-N 1 3 305.422 0.987 20 0 DCADHO CNS(=O)(=O)CCCN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363066 417893413 /nfs/dbraw/zinc/89/34/13/417893413.db2.gz XFVWNVGVTRPXTA-BFHYXJOUSA-N 1 3 319.471 0.287 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662758844 417894633 /nfs/dbraw/zinc/89/46/33/417894633.db2.gz UWKLNQXYHKHPLM-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO COC[C@H](CC1CCOCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000657845935 417910116 /nfs/dbraw/zinc/91/01/16/417910116.db2.gz MBBXQPSQFOTXIX-HOTGVXAUSA-N 1 3 300.443 0.864 20 0 DCADHO NC1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC2(CCC2)C1 ZINC000662784442 417904575 /nfs/dbraw/zinc/90/45/75/417904575.db2.gz JZGKCNVDFWBXFJ-CYBMUJFWSA-N 1 3 307.438 0.862 20 0 DCADHO C[C@@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC[NH2+]C1 ZINC000662858278 417926790 /nfs/dbraw/zinc/92/67/90/417926790.db2.gz FXICHIMOYADDFL-SJLPKXTDSA-N 1 3 317.433 0.869 20 0 DCADHO CC(C)([NH3+])CC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857892 417927026 /nfs/dbraw/zinc/92/70/26/417927026.db2.gz CPXNZEVINIVBLS-HNNXBMFYSA-N 1 3 305.422 0.997 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858614 417927503 /nfs/dbraw/zinc/92/75/03/417927503.db2.gz GXXFENZSKFOSCF-IAOVAPTHSA-N 1 3 317.433 0.867 20 0 DCADHO C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCCC1 ZINC000631740842 417929317 /nfs/dbraw/zinc/92/93/17/417929317.db2.gz KOMUFGXZONOJJD-CQSZACIVSA-N 1 3 303.472 0.876 20 0 DCADHO CCC[C@H](N)c1cn(CC(=O)NC2CC[NH+](CC)CC2)nn1 ZINC000640866593 417933963 /nfs/dbraw/zinc/93/39/63/417933963.db2.gz JRLAEUGIEJPULT-ZDUSSCGKSA-N 1 3 308.430 0.679 20 0 DCADHO [NH3+]CCc1nc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cs1 ZINC000662916257 417950376 /nfs/dbraw/zinc/95/03/76/417950376.db2.gz WQCJCFMJDXSEDD-GFCCVEGCSA-N 1 3 324.450 0.627 20 0 DCADHO CC(C)[C@@H](N)c1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641004762 417956769 /nfs/dbraw/zinc/95/67/69/417956769.db2.gz TXGUZXCBLBHXHS-MRXNPFEDSA-N 1 3 320.441 0.677 20 0 DCADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662937499 417957302 /nfs/dbraw/zinc/95/73/02/417957302.db2.gz IJGRRUVBOOZXER-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000652731781 417959882 /nfs/dbraw/zinc/95/98/82/417959882.db2.gz UQFXGUYNVUGFHN-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H](N)CC[NH+](C)C)C[C@@H](C)O1 ZINC000653110993 418028219 /nfs/dbraw/zinc/02/82/19/418028219.db2.gz AHIZSPILGUJVOX-RBSFLKMASA-N 1 3 314.474 0.271 20 0 DCADHO CCN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC000658830120 418029128 /nfs/dbraw/zinc/02/91/28/418029128.db2.gz QCHBXWYUOFTIMB-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000647594219 418030195 /nfs/dbraw/zinc/03/01/95/418030195.db2.gz RBJFEVPXJBQUOL-HZSPNIEDSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000647597225 418032034 /nfs/dbraw/zinc/03/20/34/418032034.db2.gz VXAMDZIXBBUTBR-STQMWFEESA-N 1 3 324.425 0.412 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)c2ccccc2O1 ZINC000653124431 418033302 /nfs/dbraw/zinc/03/33/02/418033302.db2.gz YNUMEICVERROAA-ZIAGYGMSSA-N 1 3 320.437 0.621 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653151272 418036842 /nfs/dbraw/zinc/03/68/42/418036842.db2.gz AUQWGUMXNGPUOY-CQSZACIVSA-N 1 3 312.483 0.917 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653149913 418036914 /nfs/dbraw/zinc/03/69/14/418036914.db2.gz LDQPWPIHOKLJMX-OAHLLOKOSA-N 1 3 307.442 0.251 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653150354 418037464 /nfs/dbraw/zinc/03/74/64/418037464.db2.gz ZVJANINQCUBPLZ-HOTGVXAUSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000664305391 418111531 /nfs/dbraw/zinc/11/15/31/418111531.db2.gz RPEKEPYNAJUIKQ-SOUVJXGZSA-N 1 3 312.458 0.495 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000664305391 418111534 /nfs/dbraw/zinc/11/15/34/418111534.db2.gz RPEKEPYNAJUIKQ-SOUVJXGZSA-N 1 3 312.458 0.495 20 0 DCADHO Cc1cnc(N(C)CC2CN(C)C2)nc1N(C)CC1C[NH+](C)C1 ZINC000664332480 418114362 /nfs/dbraw/zinc/11/43/62/418114362.db2.gz VZWOUDWWMCCTBY-UHFFFAOYSA-N 1 3 318.469 0.781 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659555456 418117162 /nfs/dbraw/zinc/11/71/62/418117162.db2.gz QLMHIQFVLCGYQZ-CABCVRRESA-N 1 3 310.442 0.396 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)C(F)F ZINC000659552318 418117434 /nfs/dbraw/zinc/11/74/34/418117434.db2.gz XZHSZWPPCHTUFX-RYUDHWBXSA-N 1 3 320.384 0.521 20 0 DCADHO CN(CCN1CCCCC1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000653274725 418050608 /nfs/dbraw/zinc/05/06/08/418050608.db2.gz NIJUOPXWDYAJNN-UHFFFAOYSA-N 1 3 308.430 0.575 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cnn(C)c1 ZINC000663787919 418057742 /nfs/dbraw/zinc/05/77/42/418057742.db2.gz VKIMYIYBVKVQCK-ZDUSSCGKSA-N 1 3 310.446 0.491 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cnn(C)c1 ZINC000663787919 418057744 /nfs/dbraw/zinc/05/77/44/418057744.db2.gz VKIMYIYBVKVQCK-ZDUSSCGKSA-N 1 3 310.446 0.491 20 0 DCADHO Cn1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1=O ZINC000647942408 418077941 /nfs/dbraw/zinc/07/79/41/418077941.db2.gz WIDBQZIMVXTGPG-CQSZACIVSA-N 1 3 306.410 0.205 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978825 418081812 /nfs/dbraw/zinc/08/18/12/418081812.db2.gz YUWUKLKFYYYSOB-KGLIPLIRSA-N 1 3 303.472 0.637 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000664126721 418087565 /nfs/dbraw/zinc/08/75/65/418087565.db2.gz BDNQNEGQNGRSQK-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659469482 418102461 /nfs/dbraw/zinc/10/24/61/418102461.db2.gz OAPHXGYTWROBBC-NSHDSACASA-N 1 3 322.413 0.315 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC000659606708 418124142 /nfs/dbraw/zinc/12/41/42/418124142.db2.gz SYNXRBCKCIQUIP-ZNMIVQPWSA-N 1 3 312.458 0.864 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659608144 418125590 /nfs/dbraw/zinc/12/55/90/418125590.db2.gz LETWNDJVMSSXKZ-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614696 418127486 /nfs/dbraw/zinc/12/74/86/418127486.db2.gz PTBCIHOIDHZPSV-TUBUQKNSSA-N 1 3 322.453 0.633 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615033 418127565 /nfs/dbraw/zinc/12/75/65/418127565.db2.gz GXXZQYDZAXQXLB-HLIUYOAVSA-N 1 3 309.458 0.064 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000659622095 418130206 /nfs/dbraw/zinc/13/02/06/418130206.db2.gz LKHBYPWBJCHGAZ-LSDHHAIUSA-N 1 3 313.490 0.685 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000654373400 418137024 /nfs/dbraw/zinc/13/70/24/418137024.db2.gz BIYBMZPWGMQKFT-FXUDXRNXSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000654373400 418137027 /nfs/dbraw/zinc/13/70/27/418137027.db2.gz BIYBMZPWGMQKFT-FXUDXRNXSA-N 1 3 324.469 0.710 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654382587 418137315 /nfs/dbraw/zinc/13/73/15/418137315.db2.gz ZWNNIUDRJGZXQA-OKILXGFUSA-N 1 3 300.447 0.594 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654733009 418179889 /nfs/dbraw/zinc/17/98/89/418179889.db2.gz LKBHKJJYAUXFKG-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654733009 418179892 /nfs/dbraw/zinc/17/98/92/418179892.db2.gz LKBHKJJYAUXFKG-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654429082 418142537 /nfs/dbraw/zinc/14/25/37/418142537.db2.gz IROMUYFEPJPEKH-HRCADAONSA-N 1 3 324.469 0.567 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654429082 418142538 /nfs/dbraw/zinc/14/25/38/418142538.db2.gz IROMUYFEPJPEKH-HRCADAONSA-N 1 3 324.469 0.567 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659681087 418145564 /nfs/dbraw/zinc/14/55/64/418145564.db2.gz PGRZKNICVWAUIG-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@H](CN)C1 ZINC000659688254 418147850 /nfs/dbraw/zinc/14/78/50/418147850.db2.gz TUHHZVDIHPRFAU-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC[C@H]1C ZINC000664758201 418151273 /nfs/dbraw/zinc/15/12/73/418151273.db2.gz NCIRNORZZPBDHF-QLFBSQMISA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC[C@H]1C ZINC000664758201 418151275 /nfs/dbraw/zinc/15/12/75/418151275.db2.gz NCIRNORZZPBDHF-QLFBSQMISA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](CN)C1 ZINC000659705124 418155173 /nfs/dbraw/zinc/15/51/73/418155173.db2.gz UVNATYPSQIWIDU-IPYPFGDCSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H](CN)C1 ZINC000659705124 418155176 /nfs/dbraw/zinc/15/51/76/418155176.db2.gz UVNATYPSQIWIDU-IPYPFGDCSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659718216 418160350 /nfs/dbraw/zinc/16/03/50/418160350.db2.gz MSGWASBUJAZGJB-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654591259 418165555 /nfs/dbraw/zinc/16/55/55/418165555.db2.gz YNZOGOMJBHGRDC-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654591259 418165556 /nfs/dbraw/zinc/16/55/56/418165556.db2.gz YNZOGOMJBHGRDC-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732018 418166938 /nfs/dbraw/zinc/16/69/38/418166938.db2.gz ILSQNDOQXAKNNO-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659734643 418168402 /nfs/dbraw/zinc/16/84/02/418168402.db2.gz ARGUOYMSURAVAN-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000659738203 418171029 /nfs/dbraw/zinc/17/10/29/418171029.db2.gz BKNKHDJBWWPNIO-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000659741845 418173458 /nfs/dbraw/zinc/17/34/58/418173458.db2.gz PKDQBMLDSUGTAK-ZNMIVQPWSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CCC(C)(C)[NH3+])cn1 ZINC000649340365 418243565 /nfs/dbraw/zinc/24/35/65/418243565.db2.gz UEIILMZPCQXPAL-UHFFFAOYSA-N 1 3 324.429 0.017 20 0 DCADHO COCCC1(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC[NH2+]CC1 ZINC000649348233 418245078 /nfs/dbraw/zinc/24/50/78/418245078.db2.gz DVQSEMQXKKOGTR-HIFRSBDPSA-N 1 3 309.454 0.992 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000655271141 418245883 /nfs/dbraw/zinc/24/58/83/418245883.db2.gz ALVQIABSFVYWQL-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000655271141 418245885 /nfs/dbraw/zinc/24/58/85/418245885.db2.gz ALVQIABSFVYWQL-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1=O ZINC000649370113 418247942 /nfs/dbraw/zinc/24/79/42/418247942.db2.gz DYYBYPCGYALGMS-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665217925 418185854 /nfs/dbraw/zinc/18/58/54/418185854.db2.gz AKTANGITUCZIOH-KBPBESRZSA-N 1 3 300.447 0.281 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665217925 418185857 /nfs/dbraw/zinc/18/58/57/418185857.db2.gz AKTANGITUCZIOH-KBPBESRZSA-N 1 3 300.447 0.281 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000654773891 418186440 /nfs/dbraw/zinc/18/64/40/418186440.db2.gz LVYVVWYQTFMOOQ-NVXWUHKLSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000654773891 418186444 /nfs/dbraw/zinc/18/64/44/418186444.db2.gz LVYVVWYQTFMOOQ-NVXWUHKLSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654775324 418186503 /nfs/dbraw/zinc/18/65/03/418186503.db2.gz JBERZGUOPNJDJC-ZIAGYGMSSA-N 1 3 319.453 0.873 20 0 DCADHO C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654775324 418186507 /nfs/dbraw/zinc/18/65/07/418186507.db2.gz JBERZGUOPNJDJC-ZIAGYGMSSA-N 1 3 319.453 0.873 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000665271202 418192603 /nfs/dbraw/zinc/19/26/03/418192603.db2.gz JAIZVXPLSOINBY-AJNGGQMLSA-N 1 3 310.442 0.320 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000665271202 418192607 /nfs/dbraw/zinc/19/26/07/418192607.db2.gz JAIZVXPLSOINBY-AJNGGQMLSA-N 1 3 310.442 0.320 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665409795 418205757 /nfs/dbraw/zinc/20/57/57/418205757.db2.gz OHMIHLUMQACOSW-ZDUSSCGKSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](O)C1 ZINC000665637173 418229331 /nfs/dbraw/zinc/22/93/31/418229331.db2.gz WICURUKUKMEAMA-KBPBESRZSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](O)C1 ZINC000665637173 418229333 /nfs/dbraw/zinc/22/93/33/418229333.db2.gz WICURUKUKMEAMA-KBPBESRZSA-N 1 3 300.447 0.425 20 0 DCADHO C[NH+](C)CCn1cc(NC(=O)C2(N)Cc3ccccc3C2)cn1 ZINC000649312482 418234213 /nfs/dbraw/zinc/23/42/13/418234213.db2.gz UCFJZBAHPLLUPX-UHFFFAOYSA-N 1 3 313.405 0.880 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655690199 418288026 /nfs/dbraw/zinc/28/80/26/418288026.db2.gz ZNONJBOOTYVJOA-AEFFLSMTSA-N 1 3 324.513 0.855 20 0 DCADHO CN1CCN(C)[C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655710919 418289669 /nfs/dbraw/zinc/28/96/69/418289669.db2.gz DDMKOSLPVFDARF-DLBZAZTESA-N 1 3 310.486 0.465 20 0 DCADHO C[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000655714316 418290003 /nfs/dbraw/zinc/29/00/03/418290003.db2.gz AMABGKFTLDWUKW-SJLPKXTDSA-N 1 3 324.513 0.855 20 0 DCADHO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656022398 418318315 /nfs/dbraw/zinc/31/83/15/418318315.db2.gz YGFSOZRVVBLIEU-WUCCLRPBSA-N 1 3 322.453 0.506 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656021595 418318361 /nfs/dbraw/zinc/31/83/61/418318361.db2.gz CDUQYCSRXJJBTQ-CABCVRRESA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656021598 418318394 /nfs/dbraw/zinc/31/83/94/418318394.db2.gz CDUQYCSRXJJBTQ-LSDHHAIUSA-N 1 3 324.469 0.624 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656028855 418321088 /nfs/dbraw/zinc/32/10/88/418321088.db2.gz SHMGREYPAPTMRP-KKUMJFAQSA-N 1 3 322.453 0.459 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)C1 ZINC000655449312 418263270 /nfs/dbraw/zinc/26/32/70/418263270.db2.gz ANUYOWJSNPTFNL-JZXOWHBKSA-N 1 3 320.481 0.615 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000655577644 418277994 /nfs/dbraw/zinc/27/79/94/418277994.db2.gz YDXGEWPQLBNQRW-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000655577644 418277997 /nfs/dbraw/zinc/27/79/97/418277997.db2.gz YDXGEWPQLBNQRW-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656353795 418349599 /nfs/dbraw/zinc/34/95/99/418349599.db2.gz CPNXZOUDIPLDAA-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCC[NH3+])Cc1cn(CCCN2CCSCC2)nn1 ZINC000656449754 418354372 /nfs/dbraw/zinc/35/43/72/418354372.db2.gz GCVDEBFZZGNITJ-UHFFFAOYSA-N 1 3 312.487 0.498 20 0 DCADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@@H]3CC[NH2+][C@H](C)C3)C[C@H]21 ZINC000656791961 418375750 /nfs/dbraw/zinc/37/57/50/418375750.db2.gz MVHOEMGZJLTTCT-RGDJUOJXSA-N 1 3 302.440 0.118 20 0 DCADHO CC(C)c1ccc([C@@H](N)CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662411047 418408325 /nfs/dbraw/zinc/40/83/25/418408325.db2.gz RBLFRMZWGMIWTB-AWEZNQCLSA-N 1 3 316.409 0.790 20 0 DCADHO O=C1[C@H]2CN(C[C@@H]3CC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662297955 418399646 /nfs/dbraw/zinc/39/96/46/418399646.db2.gz KDRQSNONQAIVGQ-OAGGEKHMSA-N 1 3 313.401 0.713 20 0 DCADHO CC1CCN(CCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662388324 418405452 /nfs/dbraw/zinc/40/54/52/418405452.db2.gz PLPMMNDAUITYNG-CYBMUJFWSA-N 1 3 305.426 0.948 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NCCOCC[NH+](C)C)CCSC1 ZINC000471634396 287517035 /nfs/dbraw/zinc/51/70/35/287517035.db2.gz FMEPMLOXMBZBCF-CQSZACIVSA-N 1 3 318.487 0.301 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC1CC[NH2+]CC1 ZINC000237027521 261157068 /nfs/dbraw/zinc/15/70/68/261157068.db2.gz RSLWIXCJUZVEIJ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354721164 261263389 /nfs/dbraw/zinc/26/33/89/261263389.db2.gz YPCSZJKPVAULCA-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NCC1(N(C)C)CCC1)C(C)C ZINC000354779154 261270754 /nfs/dbraw/zinc/27/07/54/261270754.db2.gz CIAVRFJYLUCXBQ-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NCC1(N(C)C)CCC1)C(C)C ZINC000354779154 261270755 /nfs/dbraw/zinc/27/07/55/261270755.db2.gz CIAVRFJYLUCXBQ-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCN(CCC(=O)N(C)C2CC[NH+](CC)CC2)CC1 ZINC000360112465 261792394 /nfs/dbraw/zinc/79/23/94/261792394.db2.gz XYQJZLARLXZORO-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417442675 262252118 /nfs/dbraw/zinc/25/21/18/262252118.db2.gz VKPNLMUOIZMXET-HNNXBMFYSA-N 1 3 312.458 0.596 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417438961 262252288 /nfs/dbraw/zinc/25/22/88/262252288.db2.gz KJNHTYUXXOVOQO-MRXNPFEDSA-N 1 3 320.437 0.751 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000417814086 262262549 /nfs/dbraw/zinc/26/25/49/262262549.db2.gz ROQPQEORCOXBAN-OAHLLOKOSA-N 1 3 312.458 0.927 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417999711 262267666 /nfs/dbraw/zinc/26/76/66/262267666.db2.gz VHEAXRZNDYGPOU-XJKSGUPXSA-N 1 3 320.437 0.647 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418108616 262269934 /nfs/dbraw/zinc/26/99/34/262269934.db2.gz BBVZDPFWKNFORV-KBPBESRZSA-N 1 3 300.447 0.642 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418189676 262272278 /nfs/dbraw/zinc/27/22/78/262272278.db2.gz IDYMRYAKCJKYTR-CYBMUJFWSA-N 1 3 309.414 0.559 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)[C@@H]1CCC[NH2+]C1 ZINC000418314022 262274077 /nfs/dbraw/zinc/27/40/77/262274077.db2.gz RLCCWHGTKKDQPU-ZNMIVQPWSA-N 1 3 312.458 0.521 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@H]1CNCCC1(F)F ZINC000418745821 262286889 /nfs/dbraw/zinc/28/68/89/262286889.db2.gz WOFZFHNZFPKTQF-UXGOBAPMSA-N 1 3 302.369 0.799 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418828538 262291478 /nfs/dbraw/zinc/29/14/78/262291478.db2.gz FWLUXCWTZOPCDG-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419003318 262303439 /nfs/dbraw/zinc/30/34/39/262303439.db2.gz UDLLZIQJCDRMNM-UHFFFAOYSA-N 1 3 318.421 0.186 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419019829 262305410 /nfs/dbraw/zinc/30/54/10/262305410.db2.gz DZIRGYNBPWJFTI-BARDWOONSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419016901 262305651 /nfs/dbraw/zinc/30/56/51/262305651.db2.gz AHGCZVOCVKZMJU-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419019817 262305662 /nfs/dbraw/zinc/30/56/62/262305662.db2.gz DXELECXHYOLUDG-CBBWQLFWSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419097190 262309403 /nfs/dbraw/zinc/30/94/03/262309403.db2.gz DKZVORKDDXEDTB-QLFBSQMISA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419156339 262314056 /nfs/dbraw/zinc/31/40/56/262314056.db2.gz JMFPBFOXPUZBNF-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419230101 262321278 /nfs/dbraw/zinc/32/12/78/262321278.db2.gz PLXYBZXWKFUSJR-HUUCEWRRSA-N 1 3 324.469 0.467 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)C1CC1 ZINC000419233874 262321869 /nfs/dbraw/zinc/32/18/69/262321869.db2.gz WTUKYGXONNZXOR-LSDHHAIUSA-N 1 3 322.453 0.221 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419285067 262324115 /nfs/dbraw/zinc/32/41/15/262324115.db2.gz MDDZBMHVSZGRBK-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000419408503 262331175 /nfs/dbraw/zinc/33/11/75/262331175.db2.gz LXTCWDRUUAIKCL-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419411912 262331837 /nfs/dbraw/zinc/33/18/37/262331837.db2.gz CBZBYRXGNYDLIL-HNNXBMFYSA-N 1 3 318.421 0.275 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419419963 262332255 /nfs/dbraw/zinc/33/22/55/262332255.db2.gz JMERZRGVAQURHJ-GUTXKFCHSA-N 1 3 324.469 0.324 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419419963 262332256 /nfs/dbraw/zinc/33/22/56/262332256.db2.gz JMERZRGVAQURHJ-GUTXKFCHSA-N 1 3 324.469 0.324 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419420006 262332393 /nfs/dbraw/zinc/33/23/93/262332393.db2.gz ZWZUBJYECKTQPQ-RDBSUJKOSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419422195 262332503 /nfs/dbraw/zinc/33/25/03/262332503.db2.gz MBXFUAGLPIJDPX-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419419046 262332622 /nfs/dbraw/zinc/33/26/22/262332622.db2.gz YTHULZNUXAFCQC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419425826 262333183 /nfs/dbraw/zinc/33/31/83/262333183.db2.gz PTLJFXMDFPPJBV-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1)C1CC1 ZINC000419502273 262336208 /nfs/dbraw/zinc/33/62/08/262336208.db2.gz CPBNRTWOZSKWNK-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419553179 262337816 /nfs/dbraw/zinc/33/78/16/262337816.db2.gz YINLDRUKWMBDSE-CHWSQXEVSA-N 1 3 314.474 0.713 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419596051 262339722 /nfs/dbraw/zinc/33/97/22/262339722.db2.gz XLRDRXWVMTWUQF-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699107 262347541 /nfs/dbraw/zinc/34/75/41/262347541.db2.gz VKIKCEOOCLNVGG-HZSPNIEDSA-N 1 3 322.453 0.315 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419927063 262353412 /nfs/dbraw/zinc/35/34/12/262353412.db2.gz QTQLFEPAAIEUAB-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCC1 ZINC000420098237 262360442 /nfs/dbraw/zinc/36/04/42/262360442.db2.gz WQKLDXNSXGBPPK-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420099641 262360705 /nfs/dbraw/zinc/36/07/05/262360705.db2.gz FMQZPGOSGHVSIS-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420362346 262370964 /nfs/dbraw/zinc/37/09/64/262370964.db2.gz NZPJESMQBYLEAA-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO O=S1(=O)CCCN1[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000420364170 262371430 /nfs/dbraw/zinc/37/14/30/262371430.db2.gz CTTVDFRMOZXSOQ-HNNXBMFYSA-N 1 3 315.483 0.876 20 0 DCADHO COC(=O)c1ccccc1OCCN1CCC(O)(C[NH3+])CC1 ZINC000420402768 262374004 /nfs/dbraw/zinc/37/40/04/262374004.db2.gz JFUYNWGQIMOIDK-UHFFFAOYSA-N 1 3 308.378 0.638 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000420925479 262385590 /nfs/dbraw/zinc/38/55/90/262385590.db2.gz YLQVCXOVORYYCY-AWEZNQCLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)[C@@H]1C[NH3+] ZINC000423722367 262456831 /nfs/dbraw/zinc/45/68/31/262456831.db2.gz FQHLZDUXCGUXMR-GXTWGEPZSA-N 1 3 310.442 0.125 20 0 DCADHO NC[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000357274680 271048082 /nfs/dbraw/zinc/04/80/82/271048082.db2.gz YLVNRNRXFMHBCW-JKSUJKDBSA-N 1 3 320.412 0.374 20 0 DCADHO Cn1ccc(N2CCC[C@H](N3CCC4(C3)CC[NH2+]CC4)C2=O)n1 ZINC000358495856 271052481 /nfs/dbraw/zinc/05/24/81/271052481.db2.gz HZBJJZBLLXHKSO-AWEZNQCLSA-N 1 3 317.437 0.991 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000358661732 271065020 /nfs/dbraw/zinc/06/50/20/271065020.db2.gz IFSOWWJBMNOEGD-MRXNPFEDSA-N 1 3 312.458 0.474 20 0 DCADHO NC[C@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000358742970 271065935 /nfs/dbraw/zinc/06/59/35/271065935.db2.gz LIEGAUZFBCRPQH-HNNXBMFYSA-N 1 3 308.401 0.280 20 0 DCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000418872534 271259276 /nfs/dbraw/zinc/25/92/76/271259276.db2.gz WWDPCASPYGOQHT-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000418952212 271262823 /nfs/dbraw/zinc/26/28/23/271262823.db2.gz VJLNPAYEBDNCEG-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419029747 271267597 /nfs/dbraw/zinc/26/75/97/271267597.db2.gz RZKUMJYZPUIJKX-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419029186 271267867 /nfs/dbraw/zinc/26/78/67/271267867.db2.gz RDXJMIPHUAEIJR-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419033216 271268939 /nfs/dbraw/zinc/26/89/39/271268939.db2.gz YFHQEERLCUWDBP-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419032845 271269200 /nfs/dbraw/zinc/26/92/00/271269200.db2.gz XKTDTQQLPYLFQU-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419431248 271290334 /nfs/dbraw/zinc/29/03/34/271290334.db2.gz WXSTXKXNGYICSY-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000419583260 271311492 /nfs/dbraw/zinc/31/14/92/271311492.db2.gz KBLFDWLMNKMSSM-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCCN2CC(C)C)CC1 ZINC000419666946 271319320 /nfs/dbraw/zinc/31/93/20/271319320.db2.gz ATQYSGZCOBTSDJ-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419938681 271345289 /nfs/dbraw/zinc/34/52/89/271345289.db2.gz PYXWPBNYABXYNZ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000420011220 271350298 /nfs/dbraw/zinc/35/02/98/271350298.db2.gz GLLMGCCZBATNDP-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000420011220 271350302 /nfs/dbraw/zinc/35/03/02/271350302.db2.gz GLLMGCCZBATNDP-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCN(C(=O)CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422721115 271381082 /nfs/dbraw/zinc/38/10/82/271381082.db2.gz UPBZNDBYTCGCLO-OAGGEKHMSA-N 1 3 308.470 0.661 20 0 DCADHO CC[C@]1(O)CCN(CCOCC[N@@H+]2CC[C@@](O)(CC)C2)C1 ZINC000495228896 272242329 /nfs/dbraw/zinc/24/23/29/272242329.db2.gz MKUUYCPRBKPQJC-HOTGVXAUSA-N 1 3 300.443 0.697 20 0 DCADHO CC[C@]1(O)CCN(CCOCC[N@H+]2CC[C@@](O)(CC)C2)C1 ZINC000495228896 272242330 /nfs/dbraw/zinc/24/23/30/272242330.db2.gz MKUUYCPRBKPQJC-HOTGVXAUSA-N 1 3 300.443 0.697 20 0 DCADHO CCN(CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000520374641 272516740 /nfs/dbraw/zinc/51/67/40/272516740.db2.gz PNHVYCZTCVDRSX-CQSZACIVSA-N 1 3 324.469 0.868 20 0 DCADHO CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000272757812 277231357 /nfs/dbraw/zinc/23/13/57/277231357.db2.gz PJEJFGDUAPSULR-CJNGLKHVSA-N 1 3 305.422 0.867 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000546027298 288013175 /nfs/dbraw/zinc/01/31/75/288013175.db2.gz BJQPQRICTLUBDF-HUUCEWRRSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000546027298 288013177 /nfs/dbraw/zinc/01/31/77/288013177.db2.gz BJQPQRICTLUBDF-HUUCEWRRSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H](CCNC(=O)NC[C@@]1(O)CCN(C)C1)[NH+]1CCCCC1 ZINC000546590712 288019620 /nfs/dbraw/zinc/01/96/20/288019620.db2.gz VWAPZNZZTSBNBR-ZBFHGGJFSA-N 1 3 312.458 0.617 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000347966734 279096833 /nfs/dbraw/zinc/09/68/33/279096833.db2.gz GTWKECOJFXEDBQ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000339572046 279105189 /nfs/dbraw/zinc/10/51/89/279105189.db2.gz AJCJFIKSWFTODP-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1)C(C)C ZINC000261843764 279279647 /nfs/dbraw/zinc/27/96/47/279279647.db2.gz CTTIXCGERHTLQR-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000553347237 288295932 /nfs/dbraw/zinc/29/59/32/288295932.db2.gz QTNFVRKUXBREPR-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@](C)(CNC(=O)N(CCN(C)C)CC[NH+](C)C)OC ZINC000556769593 288392677 /nfs/dbraw/zinc/39/26/77/288392677.db2.gz QGZAHSZGRBXUAA-HNNXBMFYSA-N 1 3 302.463 0.936 20 0 DCADHO CC[C@](C)(CNC(=O)N(CCN(C)C)CC[NH+](C)C)OC ZINC000556769594 288392761 /nfs/dbraw/zinc/39/27/61/288392761.db2.gz QGZAHSZGRBXUAA-OAHLLOKOSA-N 1 3 302.463 0.936 20 0 DCADHO CSC[C@@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000562988113 288612902 /nfs/dbraw/zinc/61/29/02/288612902.db2.gz UCJNYUDLEFSMDW-HNNXBMFYSA-N 1 3 301.500 0.859 20 0 DCADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000563440708 288676039 /nfs/dbraw/zinc/67/60/39/288676039.db2.gz JPBXCWCITJFBMV-LEWSCRJBSA-N 1 3 302.378 0.090 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@@H](C)N)[C@@H]1CC12CC[NH2+]CC2 ZINC000564084919 288724978 /nfs/dbraw/zinc/72/49/78/288724978.db2.gz OSWLQBBSMMTWLS-CHWSQXEVSA-N 1 3 305.426 0.721 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000410464257 289367642 /nfs/dbraw/zinc/36/76/42/289367642.db2.gz CZFSQOYMCKNFDV-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419414488 289560674 /nfs/dbraw/zinc/56/06/74/289560674.db2.gz DZFDURGLYPVXEH-KFWWJZLASA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001569213819 1159201017 /nfs/dbraw/zinc/20/10/17/1159201017.db2.gz MVJRDCSXPSLHOT-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000580301714 333080226 /nfs/dbraw/zinc/08/02/26/333080226.db2.gz QEURFAGWZHQITO-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CC[NH+](C[C@H](C)CNc2ccncc2C(N)=O)CC1 ZINC000189446344 333087765 /nfs/dbraw/zinc/08/77/65/333087765.db2.gz PDVBZJMOHSJUJV-CYBMUJFWSA-N 1 3 305.426 0.866 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000582181948 335735438 /nfs/dbraw/zinc/73/54/38/335735438.db2.gz FCOPTILFNZNUGH-GOEBONIOSA-N 1 3 308.470 0.470 20 0 DCADHO CNC[C@@H](O)C[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000582486505 337097460 /nfs/dbraw/zinc/09/74/60/337097460.db2.gz NUSJKSQTNUQITM-KGLIPLIRSA-N 1 3 306.410 0.184 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000576041476 341822118 /nfs/dbraw/zinc/82/21/18/341822118.db2.gz GIJQUDWKPYLHEL-NFAWXSAZSA-N 1 3 310.442 0.077 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC ZINC001566550778 1160053429 /nfs/dbraw/zinc/05/34/29/1160053429.db2.gz VHVAYJXMUGYWLT-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)C(=O)NC ZINC001566550778 1160053437 /nfs/dbraw/zinc/05/34/37/1160053437.db2.gz VHVAYJXMUGYWLT-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCOC(=O)Cn1nc(C)c(CNCCN2CC[NH2+]CC2)c1C ZINC000414888177 528934870 /nfs/dbraw/zinc/93/48/70/528934870.db2.gz RVDHLPQIFAIADW-UHFFFAOYSA-N 1 3 323.441 0.058 20 0 DCADHO CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000457493690 535467890 /nfs/dbraw/zinc/46/78/90/535467890.db2.gz XRRJSDBGJZHHGZ-HNNXBMFYSA-N 1 3 312.458 0.617 20 0 DCADHO CN1CCN(CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000315025614 546026682 /nfs/dbraw/zinc/02/66/82/546026682.db2.gz MLXNHJZSQWQLAD-ZDUSSCGKSA-N 1 3 322.375 0.282 20 0 DCADHO O=C(NC[C@H]1CNCCO1)NC1CC[NH+](C2CCCC2)CC1 ZINC000333136978 546072921 /nfs/dbraw/zinc/07/29/21/546072921.db2.gz CMXYTLURWVRJCP-OAHLLOKOSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NC[C@H]1CCCCN1C1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000333733279 546090305 /nfs/dbraw/zinc/09/03/05/546090305.db2.gz IARUFSINDPBGQA-HUUCEWRRSA-N 1 3 310.442 0.681 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000342976498 546124619 /nfs/dbraw/zinc/12/46/19/546124619.db2.gz LVYOTQLLCBQIQO-KBPBESRZSA-N 1 3 324.469 0.600 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000342983917 546125753 /nfs/dbraw/zinc/12/57/53/546125753.db2.gz HLGMVHLCKCWXIF-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000342983917 546125757 /nfs/dbraw/zinc/12/57/57/546125757.db2.gz HLGMVHLCKCWXIF-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CCN1CC[C@@](C)(C(N)=O)C1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361571236 546203818 /nfs/dbraw/zinc/20/38/18/546203818.db2.gz IWLDZQHVQZNDJW-WQVCFCJDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CCN1CC[C@@](C)(C(N)=O)C1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361571236 546203822 /nfs/dbraw/zinc/20/38/22/546203822.db2.gz IWLDZQHVQZNDJW-WQVCFCJDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@@H+]1CC[C@@](C)(C(N)=O)C1)N1CC[C@](C)(C(N)=O)C1 ZINC000361571236 546203826 /nfs/dbraw/zinc/20/38/26/546203826.db2.gz IWLDZQHVQZNDJW-WQVCFCJDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@H+]1CC[C@@](C)(C(N)=O)C1)N1CC[C@](C)(C(N)=O)C1 ZINC000361571236 546203828 /nfs/dbraw/zinc/20/38/28/546203828.db2.gz IWLDZQHVQZNDJW-WQVCFCJDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000362187411 546204689 /nfs/dbraw/zinc/20/46/89/546204689.db2.gz PXQGKKBCPGXBBU-MZBWOGCUSA-N 1 3 313.486 0.871 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000362187411 546204692 /nfs/dbraw/zinc/20/46/92/546204692.db2.gz PXQGKKBCPGXBBU-MZBWOGCUSA-N 1 3 313.486 0.871 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCSC1 ZINC000417813315 546245270 /nfs/dbraw/zinc/24/52/70/546245270.db2.gz GGMVOMYITABZQS-BZPMIXESSA-N 1 3 300.472 0.993 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN2CCC[C@H]([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000429537577 546249462 /nfs/dbraw/zinc/24/94/62/546249462.db2.gz QQILMASKSZWJDW-WCXIOVBPSA-N 1 3 313.486 0.873 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637474436 546332823 /nfs/dbraw/zinc/33/28/23/546332823.db2.gz HISDYZOAJJLHON-ZBFHGGJFSA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)OCCOC[C@H](O)CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253798 546372037 /nfs/dbraw/zinc/37/20/37/546372037.db2.gz LBNABXDQZGEDOO-HUUCEWRRSA-N 1 3 316.442 0.242 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)[nH]1 ZINC000662775492 546377006 /nfs/dbraw/zinc/37/70/06/546377006.db2.gz ROCZANXCYIFPQU-NEPJUHHUSA-N 1 3 316.365 0.233 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666627542 546491012 /nfs/dbraw/zinc/49/10/12/546491012.db2.gz ALTRIBRGRPRTIT-CYBMUJFWSA-N 1 3 318.421 0.932 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000666928092 546531835 /nfs/dbraw/zinc/53/18/35/546531835.db2.gz FAQFQZDUWOTXIN-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000666928092 546531837 /nfs/dbraw/zinc/53/18/37/546531837.db2.gz FAQFQZDUWOTXIN-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO Cc1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C ZINC000667134114 546560183 /nfs/dbraw/zinc/56/01/83/546560183.db2.gz PCGXIMCJSWSOGZ-NSHDSACASA-N 1 3 311.434 0.517 20 0 DCADHO Cc1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C ZINC000667134114 546560188 /nfs/dbraw/zinc/56/01/88/546560188.db2.gz PCGXIMCJSWSOGZ-NSHDSACASA-N 1 3 311.434 0.517 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668670851 546817808 /nfs/dbraw/zinc/81/78/08/546817808.db2.gz SDPOOZPQGZWCTQ-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000669430872 546971002 /nfs/dbraw/zinc/97/10/02/546971002.db2.gz PEANJZVMUDEBQO-AWEZNQCLSA-N 1 3 320.441 0.240 20 0 DCADHO COC[C@@]1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCC[NH2+]1 ZINC000669490823 546978697 /nfs/dbraw/zinc/97/86/97/546978697.db2.gz ARQJWZAUUGPKRY-HOCLYGCPSA-N 1 3 310.442 0.539 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCSC1 ZINC000669514781 546982785 /nfs/dbraw/zinc/98/27/85/546982785.db2.gz HTOWCPPGKMWALQ-NFAWXSAZSA-N 1 3 312.483 0.817 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000669508901 546982843 /nfs/dbraw/zinc/98/28/43/546982843.db2.gz VHWVHJMHDHKLQJ-JSGCOSHPSA-N 1 3 307.394 0.580 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CCO1 ZINC000669571182 546993045 /nfs/dbraw/zinc/99/30/45/546993045.db2.gz KSYFRNAUSPWARS-AEGPPILISA-N 1 3 310.442 0.761 20 0 DCADHO CN1CCN(CCNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1(C)C ZINC000669580243 546993724 /nfs/dbraw/zinc/99/37/24/546993724.db2.gz QTUBKPFDXJGMGD-CABCVRRESA-N 1 3 323.485 0.406 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672010907 547311959 /nfs/dbraw/zinc/31/19/59/547311959.db2.gz YYSIXLLZMJJDTJ-VNHYZAJKSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672594384 547385115 /nfs/dbraw/zinc/38/51/15/547385115.db2.gz YZJXGESLMAHBCX-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000672594384 547385118 /nfs/dbraw/zinc/38/51/18/547385118.db2.gz YZJXGESLMAHBCX-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)C1CC[NH+](C)CC1 ZINC000672982223 547430775 /nfs/dbraw/zinc/43/07/75/547430775.db2.gz WLRRWRTTXGKGGF-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000673522369 547497988 /nfs/dbraw/zinc/49/79/88/547497988.db2.gz PWFQTKVSEROBOD-ZDUSSCGKSA-N 1 3 309.410 0.279 20 0 DCADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000676048571 547729112 /nfs/dbraw/zinc/72/91/12/547729112.db2.gz LVWMQJJHCAJUCJ-JYJNAYRXSA-N 1 3 324.469 0.758 20 0 DCADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000676048572 547729434 /nfs/dbraw/zinc/72/94/34/547729434.db2.gz LVWMQJJHCAJUCJ-XHSDSOJGSA-N 1 3 324.469 0.758 20 0 DCADHO CC(CN1CC[C@H](CC(N)=O)C1)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676908914 547831907 /nfs/dbraw/zinc/83/19/07/547831907.db2.gz QRXOTBUFLLOROQ-ZIAGYGMSSA-N 1 3 310.442 0.017 20 0 DCADHO CC(CN1CC[C@H](CC(N)=O)C1)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000676908914 547831911 /nfs/dbraw/zinc/83/19/11/547831911.db2.gz QRXOTBUFLLOROQ-ZIAGYGMSSA-N 1 3 310.442 0.017 20 0 DCADHO CCS(=O)(=O)C[C@H](C)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678770897 548002898 /nfs/dbraw/zinc/00/28/98/548002898.db2.gz JEGUDSLMENUUJR-KBPBESRZSA-N 1 3 317.499 0.568 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCO)C1CC[NH+](CC2CC2)CC1 ZINC001028253808 661351847 /nfs/dbraw/zinc/35/18/47/661351847.db2.gz HEVMJRLYUDONNG-INIZCTEOSA-N 1 3 309.454 0.681 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@@H](C)C1 ZINC000897830790 662928008 /nfs/dbraw/zinc/92/80/08/662928008.db2.gz OEZJHDPGHTXYBN-UONOGXRCSA-N 1 3 303.472 0.732 20 0 DCADHO CCO[C@H](CNC(=S)NC1CCN(C)CC1)C[NH+](C)C ZINC000899566711 663153368 /nfs/dbraw/zinc/15/33/68/663153368.db2.gz RIJVJSNPDPHNKV-CYBMUJFWSA-N 1 3 302.488 0.511 20 0 DCADHO Cn1nccc1CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407180 660933269 /nfs/dbraw/zinc/93/32/69/660933269.db2.gz WYUBZJGKMNYYLJ-INIZCTEOSA-N 1 3 319.453 0.591 20 0 DCADHO Cn1nccc1CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407180 660933271 /nfs/dbraw/zinc/93/32/71/660933271.db2.gz WYUBZJGKMNYYLJ-INIZCTEOSA-N 1 3 319.453 0.591 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980703816 660987205 /nfs/dbraw/zinc/98/72/05/660987205.db2.gz JIFBKWLTPAESGQ-CHWSQXEVSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2cncn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000980705412 660987809 /nfs/dbraw/zinc/98/78/09/660987809.db2.gz ZBBVDTWHOUUEEG-QWHCGFSZSA-N 1 3 316.409 0.713 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028036740 661091940 /nfs/dbraw/zinc/09/19/40/661091940.db2.gz GGPUGCGPWIQHIE-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028036740 661091943 /nfs/dbraw/zinc/09/19/43/661091943.db2.gz GGPUGCGPWIQHIE-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)N1CCCC1 ZINC000981272596 661122984 /nfs/dbraw/zinc/12/29/84/661122984.db2.gz RPCLAJNGXQQDEI-OLZOCXBDSA-N 1 3 310.442 0.363 20 0 DCADHO O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC2(C1)CCCN(CCO)C2 ZINC000981767091 661213552 /nfs/dbraw/zinc/21/35/52/661213552.db2.gz HUVCXJODXXTJPY-HZPDHXFCSA-N 1 3 321.465 0.778 20 0 DCADHO O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC2(C1)CCCN(CCO)C2 ZINC000981767091 661213554 /nfs/dbraw/zinc/21/35/54/661213554.db2.gz HUVCXJODXXTJPY-HZPDHXFCSA-N 1 3 321.465 0.778 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812246 661222746 /nfs/dbraw/zinc/22/27/46/661222746.db2.gz LISCLOSAWVQUGN-CQSZACIVSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812246 661222749 /nfs/dbraw/zinc/22/27/49/661222749.db2.gz LISCLOSAWVQUGN-CQSZACIVSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000982012510 661272163 /nfs/dbraw/zinc/27/21/63/661272163.db2.gz YEGKBPNCMMBZHE-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000982012510 661272164 /nfs/dbraw/zinc/27/21/64/661272164.db2.gz YEGKBPNCMMBZHE-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038933824 661277162 /nfs/dbraw/zinc/27/71/62/661277162.db2.gz HSXXGXRZGSGQMF-STQMWFEESA-N 1 3 306.410 0.987 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038933824 661277165 /nfs/dbraw/zinc/27/71/65/661277165.db2.gz HSXXGXRZGSGQMF-STQMWFEESA-N 1 3 306.410 0.987 20 0 DCADHO CC1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCO)C3)CC1 ZINC000982083690 661286360 /nfs/dbraw/zinc/28/63/60/661286360.db2.gz VVMCBJYKBQQTLC-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO CC1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)CC1 ZINC000982083690 661286362 /nfs/dbraw/zinc/28/63/62/661286362.db2.gz VVMCBJYKBQQTLC-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO Cn1cncc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998269248 665426914 /nfs/dbraw/zinc/42/69/14/665426914.db2.gz KPFDCICLAICBFV-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1cnn(C)c1 ZINC000939054400 665478534 /nfs/dbraw/zinc/47/85/34/665478534.db2.gz IZDOKLHUHSVBTJ-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CCN(C(=O)NCCCCN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000891579942 657498857 /nfs/dbraw/zinc/49/88/57/657498857.db2.gz PCIKENMQRIESTR-OAHLLOKOSA-N 1 3 311.474 0.407 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001023128951 657540008 /nfs/dbraw/zinc/54/00/08/657540008.db2.gz ZWZHKPVRFZUGCX-XJFOESAGSA-N 1 3 310.442 0.362 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCn3cccn3)C2)CCC1 ZINC000971673965 657549672 /nfs/dbraw/zinc/54/96/72/657549672.db2.gz LGLKZVBPCFIHNA-OAHLLOKOSA-N 1 3 319.453 0.900 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cccn3)C2)CCC1 ZINC000971673965 657549676 /nfs/dbraw/zinc/54/96/76/657549676.db2.gz LGLKZVBPCFIHNA-OAHLLOKOSA-N 1 3 319.453 0.900 20 0 DCADHO CCCN1CCC([NH2+]CC2(S(=O)(=O)N(C)C)CC2)CC1 ZINC000886732522 667792802 /nfs/dbraw/zinc/79/28/02/667792802.db2.gz ILHOVMWBLUNNPM-UHFFFAOYSA-N 1 3 303.472 0.874 20 0 DCADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000969403623 657811875 /nfs/dbraw/zinc/81/18/75/657811875.db2.gz NCTFDIYJXQEZOL-GYMHETDLSA-N 1 3 307.438 0.696 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000970717978 657824466 /nfs/dbraw/zinc/82/44/66/657824466.db2.gz QTIONRJWAKZFFD-CYBMUJFWSA-N 1 3 308.451 0.972 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000994912795 665519960 /nfs/dbraw/zinc/51/99/60/665519960.db2.gz YOIQKGHDMLLGDC-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)CC[N@@H+]1C ZINC000969721521 658104136 /nfs/dbraw/zinc/10/41/36/658104136.db2.gz GQOZHOQLYHYHDY-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)CC[N@H+]1C ZINC000969721521 658104142 /nfs/dbraw/zinc/10/41/42/658104142.db2.gz GQOZHOQLYHYHDY-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968681 658104363 /nfs/dbraw/zinc/10/43/63/658104363.db2.gz GSLOKFLFAMBOEM-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968681 658104371 /nfs/dbraw/zinc/10/43/71/658104371.db2.gz GSLOKFLFAMBOEM-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001020588914 658158795 /nfs/dbraw/zinc/15/87/95/658158795.db2.gz QJAVDWIJFQCNDD-QEJZJMRPSA-N 1 3 305.426 0.499 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001020589896 658168558 /nfs/dbraw/zinc/16/85/58/658168558.db2.gz HHPGFLLMTQLTCH-BPLDGKMQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001020589896 658168562 /nfs/dbraw/zinc/16/85/62/658168562.db2.gz HHPGFLLMTQLTCH-BPLDGKMQSA-N 1 3 317.437 0.864 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)C1 ZINC001023750193 658201931 /nfs/dbraw/zinc/20/19/31/658201931.db2.gz HELZGHXIKBYPSC-HUUCEWRRSA-N 1 3 320.441 0.058 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)C1 ZINC001023750193 658201934 /nfs/dbraw/zinc/20/19/34/658201934.db2.gz HELZGHXIKBYPSC-HUUCEWRRSA-N 1 3 320.441 0.058 20 0 DCADHO [NH3+][C@@H](CCNC(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000892181434 658273006 /nfs/dbraw/zinc/27/30/06/658273006.db2.gz SJCAMTCQNMZMKA-LSDHHAIUSA-N 1 3 306.410 0.234 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000969949550 658285159 /nfs/dbraw/zinc/28/51/59/658285159.db2.gz ULGPYPCFRFUICD-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000969949550 658285164 /nfs/dbraw/zinc/28/51/64/658285164.db2.gz ULGPYPCFRFUICD-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC000969954576 658288090 /nfs/dbraw/zinc/28/80/90/658288090.db2.gz HCEZUALAKAUPLS-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC000969954495 658288567 /nfs/dbraw/zinc/28/85/67/658288567.db2.gz FKLCFBGYZFQUBL-HUUCEWRRSA-N 1 3 319.453 0.495 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001023889880 658297193 /nfs/dbraw/zinc/29/71/93/658297193.db2.gz TYDHCCYTSPBDQA-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001022712245 658352095 /nfs/dbraw/zinc/35/20/95/658352095.db2.gz NKNMQSPYHMKUJS-BYNSBNAKSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)CCCF)C1 ZINC000887136447 667853447 /nfs/dbraw/zinc/85/34/47/667853447.db2.gz UIHYUTVCCSORGG-CQSZACIVSA-N 1 3 303.422 0.751 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC001022718206 658379453 /nfs/dbraw/zinc/37/94/53/658379453.db2.gz AIXXZYZNSHQHCL-BQDHKBFISA-N 1 3 317.437 0.720 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001022718206 658379465 /nfs/dbraw/zinc/37/94/65/658379465.db2.gz AIXXZYZNSHQHCL-BQDHKBFISA-N 1 3 317.437 0.720 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1(C)C ZINC000926388914 658394592 /nfs/dbraw/zinc/39/45/92/658394592.db2.gz BOAAHUURQUTUGF-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnnn3C)C2)CC1 ZINC001020803119 658477029 /nfs/dbraw/zinc/47/70/29/658477029.db2.gz ROYLLKNWHZEAOW-HDJSIYSDSA-N 1 3 320.441 0.284 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@H]2Cc3ccccc3CN2)CCOCC1 ZINC000892279278 658576606 /nfs/dbraw/zinc/57/66/06/658576606.db2.gz UQCWKAZHPZFNMR-OAHLLOKOSA-N 1 3 318.421 0.508 20 0 DCADHO O=C(N[C@H]1C[C@H](NCc2ccccn2)C1)C12CC[NH+](CC1)C2 ZINC001020934305 658598133 /nfs/dbraw/zinc/59/81/33/658598133.db2.gz QRJBGTZUTSHMPK-SHTZXODSSA-N 1 3 300.406 0.914 20 0 DCADHO C[C@H](O)CN1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530014 658688152 /nfs/dbraw/zinc/68/81/52/658688152.db2.gz BLSWOJUEIIGGAL-LSDHHAIUSA-N 1 3 309.454 0.966 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891403482 658708449 /nfs/dbraw/zinc/70/84/49/658708449.db2.gz QTHVWHHXTOANPZ-KGLIPLIRSA-N 1 3 310.442 0.539 20 0 DCADHO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429627 658754669 /nfs/dbraw/zinc/75/46/69/658754669.db2.gz LOQIUWUBVACYKV-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429627 658754674 /nfs/dbraw/zinc/75/46/74/658754674.db2.gz LOQIUWUBVACYKV-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001022977085 658886918 /nfs/dbraw/zinc/88/69/18/658886918.db2.gz UQBZEXNHJJMHRY-KFWWJZLASA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001022977085 658886919 /nfs/dbraw/zinc/88/69/19/658886919.db2.gz UQBZEXNHJJMHRY-KFWWJZLASA-N 1 3 317.437 0.864 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891491717 658890122 /nfs/dbraw/zinc/89/01/22/658890122.db2.gz CHTVZGZPQWSKJX-ZDUSSCGKSA-N 1 3 300.447 0.642 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000891513884 658898971 /nfs/dbraw/zinc/89/89/71/658898971.db2.gz ISPMZPZLLIBSSL-TUVASFSCSA-N 1 3 310.442 0.666 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925716227 658976495 /nfs/dbraw/zinc/97/64/95/658976495.db2.gz MHWIEEUIXKQTDE-UONOGXRCSA-N 1 3 305.426 0.899 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999351117 665634138 /nfs/dbraw/zinc/63/41/38/665634138.db2.gz CQRRJTKDAMDNQZ-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999351117 665634140 /nfs/dbraw/zinc/63/41/40/665634140.db2.gz CQRRJTKDAMDNQZ-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999403592 665641249 /nfs/dbraw/zinc/64/12/49/665641249.db2.gz RNXWUEHLOHTPQN-JXQTWKCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027216065 659087079 /nfs/dbraw/zinc/08/70/79/659087079.db2.gz QQLHFCRLRDQRCI-RYUDHWBXSA-N 1 3 309.439 0.428 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027216065 659087083 /nfs/dbraw/zinc/08/70/83/659087083.db2.gz QQLHFCRLRDQRCI-RYUDHWBXSA-N 1 3 309.439 0.428 20 0 DCADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001027216441 659088431 /nfs/dbraw/zinc/08/84/31/659088431.db2.gz UFMJOWFUXVQKMG-CHWSQXEVSA-N 1 3 322.409 0.573 20 0 DCADHO COc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027216441 659088437 /nfs/dbraw/zinc/08/84/37/659088437.db2.gz UFMJOWFUXVQKMG-CHWSQXEVSA-N 1 3 322.409 0.573 20 0 DCADHO CCn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217377 659089269 /nfs/dbraw/zinc/08/92/69/659089269.db2.gz JNUQXBLWNUNTRV-OAHLLOKOSA-N 1 3 319.453 0.937 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC000999421881 665643187 /nfs/dbraw/zinc/64/31/87/665643187.db2.gz KEQIJRKAXUICSK-CABCVRRESA-N 1 3 322.457 0.445 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000973104533 659103728 /nfs/dbraw/zinc/10/37/28/659103728.db2.gz KCIRNDXEUXJUOM-ZQDZILKHSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000973104533 659103730 /nfs/dbraw/zinc/10/37/30/659103730.db2.gz KCIRNDXEUXJUOM-ZQDZILKHSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NCc2cnnn2C)C1)[NH+](C)C ZINC000999437080 665645098 /nfs/dbraw/zinc/64/50/98/665645098.db2.gz WMQPVVJOOOLMJU-ZFWWWQNUSA-N 1 3 322.457 0.482 20 0 DCADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CC(N)=O ZINC000939806055 665647836 /nfs/dbraw/zinc/64/78/36/665647836.db2.gz DJHDYHTVKXRIIB-IUODEOHRSA-N 1 3 318.421 0.284 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC000999499075 665650407 /nfs/dbraw/zinc/65/04/07/665650407.db2.gz ZGBCIRHKAOWAFY-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC000999490113 665652889 /nfs/dbraw/zinc/65/28/89/665652889.db2.gz OVGYNELPANFQSC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC000999602964 665663359 /nfs/dbraw/zinc/66/33/59/665663359.db2.gz ZNMMVHXYEAJCGI-NRXISQOPSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892757150 659433338 /nfs/dbraw/zinc/43/33/38/659433338.db2.gz UAUBYXAGAVFHSV-BFHYXJOUSA-N 1 3 310.442 0.537 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1F ZINC000892790247 659458667 /nfs/dbraw/zinc/45/86/67/659458667.db2.gz YFUACLPFLXUVER-RBSFLKMASA-N 1 3 306.385 0.782 20 0 DCADHO C[NH+]1CCC2(CCN2C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000892817124 659469078 /nfs/dbraw/zinc/46/90/78/659469078.db2.gz ADBOWRMMKFKOIE-GJZGRUSLSA-N 1 3 322.453 0.729 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1)N(C)C ZINC001027461971 659536637 /nfs/dbraw/zinc/53/66/37/659536637.db2.gz TWXBJIYSZKUTEK-HUUCEWRRSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1)N(C)C ZINC001027461971 659536640 /nfs/dbraw/zinc/53/66/40/659536640.db2.gz TWXBJIYSZKUTEK-HUUCEWRRSA-N 1 3 322.457 0.541 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999845015 665690623 /nfs/dbraw/zinc/69/06/23/665690623.db2.gz BZLFMLXKQIRODO-MLGOLLRUSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1)[NH+](C)C ZINC001026901210 659630333 /nfs/dbraw/zinc/63/03/33/659630333.db2.gz LJGUUONSFKEJCV-HIFRSBDPSA-N 1 3 322.457 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1)[NH+](C)C ZINC000999848749 665691633 /nfs/dbraw/zinc/69/16/33/665691633.db2.gz DDETUIRCUIHRBH-BBRMVZONSA-N 1 3 324.469 0.384 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893019047 659678822 /nfs/dbraw/zinc/67/88/22/659678822.db2.gz IZMZTEIPQHRNCD-KBMXLJTQSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893019047 659678824 /nfs/dbraw/zinc/67/88/24/659678824.db2.gz IZMZTEIPQHRNCD-KBMXLJTQSA-N 1 3 322.453 0.464 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@H]3CCCCN3C)C2)C1 ZINC000999877705 665705911 /nfs/dbraw/zinc/70/59/11/665705911.db2.gz PMWORBPTOJILGF-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CCCCN3C)C2)C1 ZINC000999877705 665705913 /nfs/dbraw/zinc/70/59/13/665705913.db2.gz PMWORBPTOJILGF-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(CNc1ccncc1CO)NCC[NH+]1CCCCCC1 ZINC000893970492 661421649 /nfs/dbraw/zinc/42/16/49/661421649.db2.gz JJABMOXVKWVISQ-UHFFFAOYSA-N 1 3 306.410 0.400 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC001000188730 665768168 /nfs/dbraw/zinc/76/81/68/665768168.db2.gz BTKOPNSZJSYRRQ-ZIAGYGMSSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC001000188730 665768170 /nfs/dbraw/zinc/76/81/70/665768170.db2.gz BTKOPNSZJSYRRQ-ZIAGYGMSSA-N 1 3 320.441 0.380 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CCC1 ZINC000894332150 661897385 /nfs/dbraw/zinc/89/73/85/661897385.db2.gz NODWZMOSVJWNQY-GJZGRUSLSA-N 1 3 324.469 0.711 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001029000919 661928947 /nfs/dbraw/zinc/92/89/47/661928947.db2.gz MBARCXQVRGRANB-AWEZNQCLSA-N 1 3 305.422 0.792 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001029000919 661928948 /nfs/dbraw/zinc/92/89/48/661928948.db2.gz MBARCXQVRGRANB-AWEZNQCLSA-N 1 3 305.422 0.792 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894385949 661949997 /nfs/dbraw/zinc/94/99/97/661949997.db2.gz XTABMKRRCXOECH-QWHCGFSZSA-N 1 3 319.396 0.658 20 0 DCADHO COC(=O)[C@H]1[C@H](C[NH2+]CCN2CCN(C)C(C)(C)C2)C1(F)F ZINC000894659997 661992229 /nfs/dbraw/zinc/99/22/29/661992229.db2.gz GTRODDMFDJDKEG-NWDGAFQWSA-N 1 3 319.396 0.656 20 0 DCADHO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000984356244 662162675 /nfs/dbraw/zinc/16/26/75/662162675.db2.gz BWEHHVPCPOOTRY-GZOJWHRLSA-N 1 3 319.449 0.744 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](C)OC1=O ZINC000895666761 662205143 /nfs/dbraw/zinc/20/51/43/662205143.db2.gz RJMZFOMWVCDNMI-AVGNSLFASA-N 1 3 314.430 0.262 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](C)OC1=O ZINC000895666761 662205144 /nfs/dbraw/zinc/20/51/44/662205144.db2.gz RJMZFOMWVCDNMI-AVGNSLFASA-N 1 3 314.430 0.262 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](NCC(N)=O)C2)cc1 ZINC001000466362 665850402 /nfs/dbraw/zinc/85/04/02/665850402.db2.gz OXOKZSDEQQXAKL-HNNXBMFYSA-N 1 3 318.421 0.428 20 0 DCADHO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000895769623 662213918 /nfs/dbraw/zinc/21/39/18/662213918.db2.gz AGWDMBDAKQHUDC-HNNXBMFYSA-N 1 3 307.438 0.746 20 0 DCADHO CCO[C@H](CNC(=O)N(C)[C@H]1CCCN(C)C1)C[NH+](C)C ZINC000896681577 662304122 /nfs/dbraw/zinc/30/41/22/662304122.db2.gz FJSBBEDQQKCDHG-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984806583 662316993 /nfs/dbraw/zinc/31/69/93/662316993.db2.gz YZJOKGBSHMBAPB-KBUPBQIOSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984806583 662316995 /nfs/dbraw/zinc/31/69/95/662316995.db2.gz YZJOKGBSHMBAPB-KBUPBQIOSA-N 1 3 319.453 0.602 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985469862 662463399 /nfs/dbraw/zinc/46/33/99/662463399.db2.gz IMZSPUPIGMKDEJ-CQSZACIVSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985469862 662463400 /nfs/dbraw/zinc/46/34/00/662463400.db2.gz IMZSPUPIGMKDEJ-CQSZACIVSA-N 1 3 324.469 0.657 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985500106 662469227 /nfs/dbraw/zinc/46/92/27/662469227.db2.gz ZUSLBYDOGBWPIE-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985500106 662469228 /nfs/dbraw/zinc/46/92/28/662469228.db2.gz ZUSLBYDOGBWPIE-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568844 662482645 /nfs/dbraw/zinc/48/26/45/662482645.db2.gz PGMSBVDQLFXCAD-UHFFFAOYSA-N 1 3 310.442 0.269 20 0 DCADHO C[N@H+](C1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCCNC1=O ZINC000985791324 662513750 /nfs/dbraw/zinc/51/37/50/662513750.db2.gz DWYOKMASNDOPHV-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@@H+](C1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCCNC1=O ZINC000985791324 662513752 /nfs/dbraw/zinc/51/37/52/662513752.db2.gz DWYOKMASNDOPHV-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1[C@@H](NCCF)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000987166641 662650069 /nfs/dbraw/zinc/65/00/69/662650069.db2.gz HWHBRPKYQDRXDI-JSGCOSHPSA-N 1 3 311.405 0.607 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569301 662688239 /nfs/dbraw/zinc/68/82/39/662688239.db2.gz XFRRNPSKHACHJF-CZUORRHYSA-N 1 3 305.422 0.933 20 0 DCADHO CN(CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000937978152 662847549 /nfs/dbraw/zinc/84/75/49/662847549.db2.gz YWBGZOQBTCXQGT-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000937978152 662847550 /nfs/dbraw/zinc/84/75/50/662847550.db2.gz YWBGZOQBTCXQGT-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001030019472 662882815 /nfs/dbraw/zinc/88/28/15/662882815.db2.gz KMDADEJEYZBWIZ-BFHYXJOUSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000729499906 662892489 /nfs/dbraw/zinc/89/24/89/662892489.db2.gz AXKFUPFNGOREIZ-LVQVYYBASA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000729499906 662892491 /nfs/dbraw/zinc/89/24/91/662892491.db2.gz AXKFUPFNGOREIZ-LVQVYYBASA-N 1 3 322.453 0.776 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001000691432 665911203 /nfs/dbraw/zinc/91/12/03/665911203.db2.gz YTOXKTXINXPXRQ-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000691432 665911206 /nfs/dbraw/zinc/91/12/06/665911206.db2.gz YTOXKTXINXPXRQ-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000897559086 662902639 /nfs/dbraw/zinc/90/26/39/662902639.db2.gz QVSXPFIJQALOCP-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO C[N@H+]1CCCC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000897559086 662902640 /nfs/dbraw/zinc/90/26/40/662902640.db2.gz QVSXPFIJQALOCP-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000925321646 662956401 /nfs/dbraw/zinc/95/64/01/662956401.db2.gz AERHKDGRNYVKTR-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@H+]1C ZINC000925321646 662956402 /nfs/dbraw/zinc/95/64/02/662956402.db2.gz AERHKDGRNYVKTR-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CN1C(=O)CN1CCCC1 ZINC000989796552 662980095 /nfs/dbraw/zinc/98/00/95/662980095.db2.gz NPBYPRDJOWQBEK-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000990279704 663028381 /nfs/dbraw/zinc/02/83/81/663028381.db2.gz ZTNUYYDUSUPUSJ-INIZCTEOSA-N 1 3 319.453 0.637 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccsc1 ZINC000900135875 663218535 /nfs/dbraw/zinc/21/85/35/663218535.db2.gz CHLLVRPNJZWDOW-UMVBOHGHSA-N 1 3 311.451 0.922 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1ccsc1 ZINC000900135875 663218537 /nfs/dbraw/zinc/21/85/37/663218537.db2.gz CHLLVRPNJZWDOW-UMVBOHGHSA-N 1 3 311.451 0.922 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000900756888 663276076 /nfs/dbraw/zinc/27/60/76/663276076.db2.gz VOTOKOBPMAYSJH-UHFFFAOYSA-N 1 3 323.441 0.021 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCO[C@]23CCOC3)C1 ZINC000903090988 663446909 /nfs/dbraw/zinc/44/69/09/663446909.db2.gz KQJBCEUEHXZTIC-YCPHGPKFSA-N 1 3 311.426 0.111 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCO[C@]23CCOC3)C1 ZINC000903090988 663446911 /nfs/dbraw/zinc/44/69/11/663446911.db2.gz KQJBCEUEHXZTIC-YCPHGPKFSA-N 1 3 311.426 0.111 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000903761475 663480028 /nfs/dbraw/zinc/48/00/28/663480028.db2.gz UKQFLAHALGQYRI-IACUBPJLSA-N 1 3 307.398 0.573 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000903761475 663480030 /nfs/dbraw/zinc/48/00/30/663480030.db2.gz UKQFLAHALGQYRI-IACUBPJLSA-N 1 3 307.398 0.573 20 0 DCADHO COCCOC1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893453 663493105 /nfs/dbraw/zinc/49/31/05/663493105.db2.gz VVEGOJDZUNOJMS-OAHLLOKOSA-N 1 3 324.469 0.973 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCN(C[C@H](C)O)C[C@@H]2C)cnn1C ZINC000903927356 663495889 /nfs/dbraw/zinc/49/58/89/663495889.db2.gz RFKGAZGMAOXDGL-OFQRWUPVSA-N 1 3 323.485 0.233 20 0 DCADHO COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904342460 663509016 /nfs/dbraw/zinc/50/90/16/663509016.db2.gz IDTYEJXWRMSZCU-MJBXVCDLSA-N 1 3 319.471 0.096 20 0 DCADHO CN(C)c1ncc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cn1 ZINC000904390816 663511239 /nfs/dbraw/zinc/51/12/39/663511239.db2.gz CSVHWXWNFABHDS-CQSZACIVSA-N 1 3 305.426 0.872 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000941305455 665970979 /nfs/dbraw/zinc/97/09/79/665970979.db2.gz MIKUBBZKXZFTFX-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)C1(O)CCC1 ZINC000905176009 663539087 /nfs/dbraw/zinc/53/90/87/663539087.db2.gz PLKCGMNJKQGTOG-ARFHVFGLSA-N 1 3 312.454 0.620 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCN(CC2CC2)C1 ZINC000905336527 663550143 /nfs/dbraw/zinc/55/01/43/663550143.db2.gz RICZGTDIKNBWBD-AWEZNQCLSA-N 1 3 301.456 0.390 20 0 DCADHO O[C@@H]1C[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000905469168 663559692 /nfs/dbraw/zinc/55/96/92/663559692.db2.gz YTBZTLDBOXJLLG-WCXIOVBPSA-N 1 3 306.406 0.097 20 0 DCADHO O[C@@H]1C[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000905469168 663559695 /nfs/dbraw/zinc/55/96/95/663559695.db2.gz YTBZTLDBOXJLLG-WCXIOVBPSA-N 1 3 306.406 0.097 20 0 DCADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000906649122 663626769 /nfs/dbraw/zinc/62/67/69/663626769.db2.gz VSOCOLQCGMDXRR-CQSZACIVSA-N 1 3 316.405 0.781 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908527067 663759295 /nfs/dbraw/zinc/75/92/95/663759295.db2.gz PLVFDEOCEOYBMK-HRCADAONSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908527067 663759296 /nfs/dbraw/zinc/75/92/96/663759296.db2.gz PLVFDEOCEOYBMK-HRCADAONSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000910946898 663961417 /nfs/dbraw/zinc/96/14/17/663961417.db2.gz RPGSLJKCSFIGEF-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CCCCC1 ZINC000910947538 663961530 /nfs/dbraw/zinc/96/15/30/663961530.db2.gz ZVQHBWIUYCHEOY-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911027535 663969000 /nfs/dbraw/zinc/96/90/00/663969000.db2.gz DAFZQYCHCWZZSL-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911055484 663973136 /nfs/dbraw/zinc/97/31/36/663973136.db2.gz PROBYLDRFFWYAT-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911161535 663995658 /nfs/dbraw/zinc/99/56/58/663995658.db2.gz LMTGSCFDTFOUPX-KEYYUXOJSA-N 1 3 322.453 0.317 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000911270637 664013394 /nfs/dbraw/zinc/01/33/94/664013394.db2.gz OQLKAVSLMWGUKJ-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911259628 664017509 /nfs/dbraw/zinc/01/75/09/664017509.db2.gz YRCSCMDUHYAWIM-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1[NH3+] ZINC000911324362 664027698 /nfs/dbraw/zinc/02/76/98/664027698.db2.gz BESSYWRLQKUIFF-MGPQQGTHSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911329180 664029199 /nfs/dbraw/zinc/02/91/99/664029199.db2.gz GZQFMSAOERCSBK-KFWWJZLASA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911331974 664029494 /nfs/dbraw/zinc/02/94/94/664029494.db2.gz MFSGQQUWTNEKGZ-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C[NH2+]1 ZINC000911345700 664039891 /nfs/dbraw/zinc/03/98/91/664039891.db2.gz BVOJUBZWQLDMGU-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911487590 664064079 /nfs/dbraw/zinc/06/40/79/664064079.db2.gz WAKYMJBMGSOOIG-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911506089 664067026 /nfs/dbraw/zinc/06/70/26/664067026.db2.gz KOMZXSVEOHNWAW-UHFFFAOYSA-N 1 3 324.450 0.246 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000911529222 664068490 /nfs/dbraw/zinc/06/84/90/664068490.db2.gz AJKQDNIQTIJCGX-GUYCJALGSA-N 1 3 322.453 0.174 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911551671 664077209 /nfs/dbraw/zinc/07/72/09/664077209.db2.gz PMXNHCCNNNDSFP-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)c1cccc2c1OCCNC2 ZINC000911630571 664094030 /nfs/dbraw/zinc/09/40/30/664094030.db2.gz SFBQGUCJNUUHPW-UHFFFAOYSA-N 1 3 318.421 0.194 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NCC[C@H]3CC[NH2+]C3)ccc2NC1=O ZINC000911768480 664106821 /nfs/dbraw/zinc/10/68/21/664106821.db2.gz PQQZGHMAVWEJHJ-RISCZKNCSA-N 1 3 316.405 0.628 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)cn1 ZINC000912374634 664167779 /nfs/dbraw/zinc/16/77/79/664167779.db2.gz OLJCGBOMDOKVHC-INIZCTEOSA-N 1 3 305.426 0.659 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccnn1CC[NH+](C)C ZINC000913815861 664724616 /nfs/dbraw/zinc/72/46/16/664724616.db2.gz SUGPMXKOQCKVDY-ZIAGYGMSSA-N 1 3 305.426 0.753 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)CCC1 ZINC000992722893 664761311 /nfs/dbraw/zinc/76/13/11/664761311.db2.gz SQVPHSCWWOWUDL-ZNMIVQPWSA-N 1 3 309.454 0.680 20 0 DCADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015324149 664767500 /nfs/dbraw/zinc/76/75/00/664767500.db2.gz MMWUGDXYFCWDTD-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015324149 664767501 /nfs/dbraw/zinc/76/75/01/664767501.db2.gz MMWUGDXYFCWDTD-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CCO[C@@H](CNC(=O)N[C@@H]1CCCN(CC)C1)C[NH+](C)C ZINC000914316324 664771240 /nfs/dbraw/zinc/77/12/40/664771240.db2.gz QAAHQOVWHFEZCG-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC000992851743 664779688 /nfs/dbraw/zinc/77/96/88/664779688.db2.gz CRTPZYCRLRMIFP-YESZJQIVSA-N 1 3 323.481 0.927 20 0 DCADHO O=C(NCC1CN(C[C@@H]2CCCCO2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675192 665283082 /nfs/dbraw/zinc/28/30/82/665283082.db2.gz YSFFIONXDXUQKH-DLBZAZTESA-N 1 3 321.465 0.945 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001001980133 666119417 /nfs/dbraw/zinc/11/94/17/666119417.db2.gz VALLJMDZKVANRW-LSDHHAIUSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001001980133 666119418 /nfs/dbraw/zinc/11/94/18/666119418.db2.gz VALLJMDZKVANRW-LSDHHAIUSA-N 1 3 324.469 0.099 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002122396 666134580 /nfs/dbraw/zinc/13/45/80/666134580.db2.gz DDNFSCANNVQVJH-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002122396 666134582 /nfs/dbraw/zinc/13/45/82/666134582.db2.gz DDNFSCANNVQVJH-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000921997982 666222467 /nfs/dbraw/zinc/22/24/67/666222467.db2.gz BXPGNPAXXKJVFG-GUYCJALGSA-N 1 3 322.405 0.783 20 0 DCADHO CCC[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003331855 666295829 /nfs/dbraw/zinc/29/58/29/666295829.db2.gz INQSVSNGUZEDKK-GULBITTBSA-N 1 3 307.438 0.840 20 0 DCADHO C[NH+]1CCC(C(=O)NC2CCN(CCn3cncn3)CC2)CC1 ZINC001003547713 666326289 /nfs/dbraw/zinc/32/62/89/666326289.db2.gz LFAGLLXIMQWKGT-UHFFFAOYSA-N 1 3 320.441 0.201 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)C1CC1 ZINC000946623545 666557322 /nfs/dbraw/zinc/55/73/22/666557322.db2.gz LWIPVATUWHBIOV-BBWFWOEESA-N 1 3 323.481 0.879 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)C1CC1 ZINC000946623545 666557324 /nfs/dbraw/zinc/55/73/24/666557324.db2.gz LWIPVATUWHBIOV-BBWFWOEESA-N 1 3 323.481 0.879 20 0 DCADHO COCCN1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399985 666844185 /nfs/dbraw/zinc/84/41/85/666844185.db2.gz WWGDJCUXXIEISB-INIZCTEOSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996677434 666857839 /nfs/dbraw/zinc/85/78/39/666857839.db2.gz RNAGEHSEXKFLTQ-ZFWWWQNUSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC000996721069 666877697 /nfs/dbraw/zinc/87/76/97/666877697.db2.gz WPYFPNSHJKVXKE-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001034040477 666900926 /nfs/dbraw/zinc/90/09/26/666900926.db2.gz UHDVVLLHSNTZNW-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001034040477 666900927 /nfs/dbraw/zinc/90/09/27/666900927.db2.gz UHDVVLLHSNTZNW-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCCN(CCO)C2)n1 ZINC001034210928 666955869 /nfs/dbraw/zinc/95/58/69/666955869.db2.gz WHMAAHKMUUYCCI-AWEZNQCLSA-N 1 3 323.441 0.021 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCO)C2)C1 ZINC001034239264 666964097 /nfs/dbraw/zinc/96/40/97/666964097.db2.gz TWUAJAFFNRFJHG-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCO)C2)C1 ZINC001034239264 666964098 /nfs/dbraw/zinc/96/40/98/666964098.db2.gz TWUAJAFFNRFJHG-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO Cn1nccc1CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997039623 667085022 /nfs/dbraw/zinc/08/50/22/667085022.db2.gz DUCOLASSYGMPQJ-UHFFFAOYSA-N 1 3 316.409 0.509 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001034738233 667131499 /nfs/dbraw/zinc/13/14/99/667131499.db2.gz RTHNONMOKQHISI-KBUPBQIOSA-N 1 3 324.469 0.752 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cn1 ZINC001034885425 667170499 /nfs/dbraw/zinc/17/04/99/667170499.db2.gz SNKCUEMHMGKIKN-CVEARBPZSA-N 1 3 317.437 0.960 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001035126229 667252281 /nfs/dbraw/zinc/25/22/81/667252281.db2.gz VOTAZAMDBJJJRQ-QWHCGFSZSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001035126229 667252282 /nfs/dbraw/zinc/25/22/82/667252282.db2.gz VOTAZAMDBJJJRQ-QWHCGFSZSA-N 1 3 306.414 0.145 20 0 DCADHO C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035258067 667277491 /nfs/dbraw/zinc/27/74/91/667277491.db2.gz DYDQUOMNENRTJY-KBPBESRZSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035258067 667277493 /nfs/dbraw/zinc/27/74/93/667277493.db2.gz DYDQUOMNENRTJY-KBPBESRZSA-N 1 3 322.453 0.126 20 0 DCADHO COc1ccc([C@H](C[NH3+])CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000866702096 667388386 /nfs/dbraw/zinc/38/83/86/667388386.db2.gz UVJISHMSPSBKNS-YUELXQCFSA-N 1 3 317.389 0.284 20 0 DCADHO Nc1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866714268 667390244 /nfs/dbraw/zinc/39/02/44/667390244.db2.gz KEWRHHCTARPSGV-KFWWJZLASA-N 1 3 302.378 0.636 20 0 DCADHO COC[C@@H](C)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035852164 667413400 /nfs/dbraw/zinc/41/34/00/667413400.db2.gz RGDWUWSNRURIII-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO COC[C@@H](C)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035852164 667413401 /nfs/dbraw/zinc/41/34/01/667413401.db2.gz RGDWUWSNRURIII-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001036205737 667429828 /nfs/dbraw/zinc/42/98/28/667429828.db2.gz NOJNQLQAIKBYIY-DOMZBBRYSA-N 1 3 316.409 0.713 20 0 DCADHO O=C1C[C@@H](c2ccccc2)N(C[C@H]2CC3(C[NH2+]C3)CO2)CCN1 ZINC000923306142 667502447 /nfs/dbraw/zinc/50/24/47/667502447.db2.gz HKIVWHYUGUMDML-CVEARBPZSA-N 1 3 315.417 0.928 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCOC)[C@H](C)C1 ZINC000884221302 667502774 /nfs/dbraw/zinc/50/27/74/667502774.db2.gz OSUZGVPHHTXSNH-ILXRZTDVSA-N 1 3 315.458 0.603 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCOC)[C@H](C)C1 ZINC000884221302 667502776 /nfs/dbraw/zinc/50/27/76/667502776.db2.gz OSUZGVPHHTXSNH-ILXRZTDVSA-N 1 3 315.458 0.603 20 0 DCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1 ZINC000923312016 667505531 /nfs/dbraw/zinc/50/55/31/667505531.db2.gz GHNSRUDJOJFKCM-IWCQGFGOSA-N 1 3 317.433 0.979 20 0 DCADHO Cc1nc(C)n([C@H]2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000923323079 667508103 /nfs/dbraw/zinc/50/81/03/667508103.db2.gz PWASQGCVKNQMKL-LSDHHAIUSA-N 1 3 305.426 0.910 20 0 DCADHO NCC(C[NH3+])NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000923354815 667515059 /nfs/dbraw/zinc/51/50/59/667515059.db2.gz UYVKUWZBDHCZDM-UHFFFAOYSA-N 1 3 306.391 0.914 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364182 667516327 /nfs/dbraw/zinc/51/63/27/667516327.db2.gz JAPXUGSHQGLIPU-JONQDZQNSA-N 1 3 300.443 0.863 20 0 DCADHO CN1CC(=O)N(CCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000923375410 667519766 /nfs/dbraw/zinc/51/97/66/667519766.db2.gz LTPCNFMOFYNUDG-UKRRQHHQSA-N 1 3 324.425 0.099 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884364535 667531953 /nfs/dbraw/zinc/53/19/53/667531953.db2.gz SWLQOAZGYAAWGG-KKUMJFAQSA-N 1 3 304.438 0.688 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000923494582 667547053 /nfs/dbraw/zinc/54/70/53/667547053.db2.gz YDXZJZLUSYTUQR-CYBMUJFWSA-N 1 3 309.385 0.991 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)N1CCC(C)CC1 ZINC000884502794 667557569 /nfs/dbraw/zinc/55/75/69/667557569.db2.gz TWNNNXYJRDKQRI-BFHYXJOUSA-N 1 3 310.442 0.171 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000884576203 667569253 /nfs/dbraw/zinc/56/92/53/667569253.db2.gz BQYICMKFMBBWID-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000884618205 667577186 /nfs/dbraw/zinc/57/71/86/667577186.db2.gz YRYNUAAEXBLOHI-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000884631673 667579869 /nfs/dbraw/zinc/57/98/69/667579869.db2.gz RWNJNSOQEHLTEH-BPLDGKMQSA-N 1 3 322.453 0.221 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000884664307 667584688 /nfs/dbraw/zinc/58/46/88/667584688.db2.gz HZIDSIDWOQMNJE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884720510 667599222 /nfs/dbraw/zinc/59/92/22/667599222.db2.gz OLTMMNOZDSDDHS-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884720668 667599315 /nfs/dbraw/zinc/59/93/15/667599315.db2.gz RRXMHGGXWMAAFW-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884875618 667617440 /nfs/dbraw/zinc/61/74/40/667617440.db2.gz HGFLTHOJSBYXCW-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N1CCC[C@H](C)C1 ZINC000885203561 667652445 /nfs/dbraw/zinc/65/24/45/667652445.db2.gz VERSEHNBUVLSFA-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000870982034 667780390 /nfs/dbraw/zinc/78/03/90/667780390.db2.gz VXZOBXRYNLJZQQ-HOTGVXAUSA-N 1 3 308.470 0.613 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886841456 667804688 /nfs/dbraw/zinc/80/46/88/667804688.db2.gz LWNMBYNKXRXEAF-OLMNGRFOSA-N 1 3 321.421 0.811 20 0 DCADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)CCCF)C1 ZINC000887136447 667853441 /nfs/dbraw/zinc/85/34/41/667853441.db2.gz UIHYUTVCCSORGG-CQSZACIVSA-N 1 3 303.422 0.751 20 0 DCADHO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000872146187 667867989 /nfs/dbraw/zinc/86/79/89/667867989.db2.gz HRBKCFJQLAIWLD-KLHDSHLOSA-N 1 3 309.454 0.728 20 0 DCADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000872202869 667876951 /nfs/dbraw/zinc/87/69/51/667876951.db2.gz QRUFFKAWXXIPHW-ZNMIVQPWSA-N 1 3 300.443 0.741 20 0 DCADHO CC(C)(O)C[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000872203347 667877082 /nfs/dbraw/zinc/87/70/82/667877082.db2.gz VMXAAIFGHVDQIB-HRCADAONSA-N 1 3 314.470 0.866 20 0 DCADHO [NH3+][C@@H]1CCCN(Cc2cn(CCCN3CCSCC3)nn2)C1 ZINC000887415840 667881827 /nfs/dbraw/zinc/88/18/27/667881827.db2.gz YACAFOUPAUSTST-CQSZACIVSA-N 1 3 324.498 0.640 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872256524 667882550 /nfs/dbraw/zinc/88/25/50/667882550.db2.gz UULCNTICUZTIOQ-KGLIPLIRSA-N 1 3 324.425 0.110 20 0 DCADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1C[C@@H]3CC=CC[C@@H]3C1)C2=O ZINC000872712335 667932159 /nfs/dbraw/zinc/93/21/59/667932159.db2.gz LKKSGJZVYOOUHI-OKILXGFUSA-N 1 3 318.421 0.858 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873248619 668068494 /nfs/dbraw/zinc/06/84/94/668068494.db2.gz HHHFXTVJDXHAPQ-GJZGRUSLSA-N 1 3 316.405 0.955 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292942 668072865 /nfs/dbraw/zinc/07/28/65/668072865.db2.gz WSJKGPFNPGHWJU-CHWSQXEVSA-N 1 3 304.456 0.558 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000874466337 668192130 /nfs/dbraw/zinc/19/21/30/668192130.db2.gz MHAZGKKQORPQQS-HZPDHXFCSA-N 1 3 310.486 0.716 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000874466337 668192131 /nfs/dbraw/zinc/19/21/31/668192131.db2.gz MHAZGKKQORPQQS-HZPDHXFCSA-N 1 3 310.486 0.716 20 0 DCADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925725962 668342619 /nfs/dbraw/zinc/34/26/19/668342619.db2.gz FJEJMEQGMSYGAW-HUUCEWRRSA-N 1 3 323.462 0.997 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000926745638 668427377 /nfs/dbraw/zinc/42/73/77/668427377.db2.gz OPJIFZCFYRLLSR-ONYGOOLBSA-N 1 3 323.481 0.532 20 0 DCADHO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)nc(N)n1 ZINC000764188408 668437488 /nfs/dbraw/zinc/43/74/88/668437488.db2.gz QIGVTYQDORIVFT-JSGCOSHPSA-N 1 3 304.442 0.829 20 0 DCADHO C[C@H]1C[N@H+](CCN2CCOC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000764468381 668448334 /nfs/dbraw/zinc/44/83/34/668448334.db2.gz HBRKWLYPQAQJSX-LSDHHAIUSA-N 1 3 310.442 0.396 20 0 DCADHO C[C@H]1C[N@@H+](CCN2CCOC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000764468381 668448336 /nfs/dbraw/zinc/44/83/36/668448336.db2.gz HBRKWLYPQAQJSX-LSDHHAIUSA-N 1 3 310.442 0.396 20 0 DCADHO COC[C@]1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCC[NH2+]1 ZINC000876743455 668500236 /nfs/dbraw/zinc/50/02/36/668500236.db2.gz CSTNMEVUTAELDR-LZWOXQAQSA-N 1 3 311.426 0.125 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876748522 668500915 /nfs/dbraw/zinc/50/09/15/668500915.db2.gz DPZBUPQGDCKJIE-MELADBBJSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876781738 668509652 /nfs/dbraw/zinc/50/96/52/668509652.db2.gz JEHGDZTXYWDGNR-INIZCTEOSA-N 1 3 319.453 0.656 20 0 DCADHO CN(C)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876781738 668509653 /nfs/dbraw/zinc/50/96/53/668509653.db2.gz JEHGDZTXYWDGNR-INIZCTEOSA-N 1 3 319.453 0.656 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000876782735 668510704 /nfs/dbraw/zinc/51/07/04/668510704.db2.gz UNVGRCUQVHSMHM-LDUWWUQZSA-N 1 3 308.470 0.398 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876859099 668522277 /nfs/dbraw/zinc/52/22/77/668522277.db2.gz BTHIXGRTRJYCRC-CHWSQXEVSA-N 1 3 305.426 0.731 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000876918397 668535635 /nfs/dbraw/zinc/53/56/35/668535635.db2.gz KBWDCJOTOBZEHJ-MHMKEMJDSA-N 1 3 318.425 0.312 20 0 DCADHO Cn1ncc(CN)c1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000876925997 668537371 /nfs/dbraw/zinc/53/73/71/668537371.db2.gz IOSRXVLDNIMPTD-UHFFFAOYSA-N 1 3 317.437 0.762 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000877251335 668584030 /nfs/dbraw/zinc/58/40/30/668584030.db2.gz MRKZZICLOKTAEK-GILVVUIESA-N 1 3 320.481 0.637 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000877451190 668619661 /nfs/dbraw/zinc/61/96/61/668619661.db2.gz LIQHXZLCBVHURY-KCPJHIHWSA-N 1 3 303.410 0.795 20 0 DCADHO Cn1cc(C2=NC[C@@H](CN3CCC(C[NH+](C)C)CC3)O2)cn1 ZINC000929283532 668671712 /nfs/dbraw/zinc/67/17/12/668671712.db2.gz SEFKMSZUUUNUNF-HNNXBMFYSA-N 1 3 305.426 0.839 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CCC(c3ncc[nH]3)CC2)CC1 ZINC000878172540 668693597 /nfs/dbraw/zinc/69/35/97/668693597.db2.gz JHXXRCOHTNWFAE-UHFFFAOYSA-N 1 3 305.426 0.800 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CC[C@H](C3CCOCC3)C2)CC1 ZINC000878300709 668709744 /nfs/dbraw/zinc/70/97/44/668709744.db2.gz HKKHXINYRUTQIZ-HNNXBMFYSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CC(C)(C)O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878326054 668713241 /nfs/dbraw/zinc/71/32/41/668713241.db2.gz VXARPPZCELNLST-BZUAXINKSA-N 1 3 313.486 0.466 20 0 DCADHO O[C@@H](CN1CCCN(c2cc[nH+]cc2)CC1)C[C@@]1(O)CCOC1 ZINC000930805402 669083943 /nfs/dbraw/zinc/08/39/43/669083943.db2.gz GYOFHTGCERZNEP-SJORKVTESA-N 1 3 321.421 0.496 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000931567061 669223345 /nfs/dbraw/zinc/22/33/45/669223345.db2.gz MCMLBASVTUEUBG-STQMWFEESA-N 1 3 306.414 0.613 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000931567061 669223349 /nfs/dbraw/zinc/22/33/49/669223349.db2.gz MCMLBASVTUEUBG-STQMWFEESA-N 1 3 306.414 0.613 20 0 DCADHO C[NH+]1CCC(NC(=O)Cn2cc([C@@H](N)C(C)(C)C)nn2)CC1 ZINC000881331041 669324476 /nfs/dbraw/zinc/32/44/76/669324476.db2.gz XWNYFORCTLUDDE-CQSZACIVSA-N 1 3 308.430 0.534 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000932474403 669370300 /nfs/dbraw/zinc/37/03/00/669370300.db2.gz IEVJBCWUWFULEG-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000932474403 669370306 /nfs/dbraw/zinc/37/03/06/669370306.db2.gz IEVJBCWUWFULEG-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@@H](C)N1 ZINC000884030730 669817414 /nfs/dbraw/zinc/81/74/14/669817414.db2.gz WHUKBGPHQOGKPD-CHWSQXEVSA-N 1 3 303.410 0.314 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000950824911 670134020 /nfs/dbraw/zinc/13/40/20/670134020.db2.gz PCTDKIIEGSGBSS-CQSZACIVSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NOC[C@@H]1CCOC1 ZINC000854017043 670517293 /nfs/dbraw/zinc/51/72/93/670517293.db2.gz WOOBQZPQBGMFND-UONOGXRCSA-N 1 3 316.446 0.526 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NOC[C@@H]1CCOC1 ZINC000854017043 670517295 /nfs/dbraw/zinc/51/72/95/670517295.db2.gz WOOBQZPQBGMFND-UONOGXRCSA-N 1 3 316.446 0.526 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(F)(F)F ZINC000848596249 670700353 /nfs/dbraw/zinc/70/03/53/670700353.db2.gz UQIWGXXTYIJTMN-UTLUCORTSA-N 1 3 310.320 0.038 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849592974 670823831 /nfs/dbraw/zinc/82/38/31/670823831.db2.gz OTXSVWQZFDJGQK-CFVMTHIKSA-N 1 3 307.442 0.522 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000820080853 671163571 /nfs/dbraw/zinc/16/35/71/671163571.db2.gz NCOTYUHTUMLBAH-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000820080853 671163575 /nfs/dbraw/zinc/16/35/75/671163575.db2.gz NCOTYUHTUMLBAH-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852826336 671168826 /nfs/dbraw/zinc/16/88/26/671168826.db2.gz UKHFXFKLMKNBJC-HIFRSBDPSA-N 1 3 319.405 0.580 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852864781 671178724 /nfs/dbraw/zinc/17/87/24/671178724.db2.gz HZGWJYLHCGYSLB-OAHLLOKOSA-N 1 3 322.453 0.355 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)=NO1 ZINC000852909276 671193128 /nfs/dbraw/zinc/19/31/28/671193128.db2.gz PUPDGPMTOKMMLM-OCCSQVGLSA-N 1 3 304.350 0.390 20 0 DCADHO Cc1cc([C@H](N)CC(=O)N2CCOC3(C[NH2+]C3)C2)cc(Cl)n1 ZINC000853245903 671224163 /nfs/dbraw/zinc/22/41/63/671224163.db2.gz PRDFBDVKCRBNKU-GFCCVEGCSA-N 1 3 324.812 0.634 20 0 DCADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cnnn1C ZINC000820807521 671229891 /nfs/dbraw/zinc/22/98/91/671229891.db2.gz KCFHKAFZQYTOOJ-CYBMUJFWSA-N 1 3 315.425 0.813 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000823562610 671399861 /nfs/dbraw/zinc/39/98/61/671399861.db2.gz WHBVCPZQWFVRTP-UONOGXRCSA-N 1 3 310.442 0.438 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(F)(F)F ZINC000841334153 671926229 /nfs/dbraw/zinc/92/62/29/671926229.db2.gz CIGRMOYRTKUZBP-AXFHLTTASA-N 1 3 324.347 0.429 20 0 DCADHO CC[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[C@H]1[NH3+] ZINC000841791188 671956297 /nfs/dbraw/zinc/95/62/97/671956297.db2.gz PEECSANJZIHBNH-LXTVHRRPSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCCCC1 ZINC000842015414 671974116 /nfs/dbraw/zinc/97/41/16/671974116.db2.gz LAZBFYQCHFEIQH-HIFRSBDPSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CCCCC1 ZINC000842016388 671974475 /nfs/dbraw/zinc/97/44/75/671974475.db2.gz VAAPUBQIHFOERF-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015480 671974568 /nfs/dbraw/zinc/97/45/68/671974568.db2.gz LTAFCZHVWIUGEF-KKUMJFAQSA-N 1 3 324.469 0.705 20 0 DCADHO COCCS(=O)(=O)CCCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843386453 672090487 /nfs/dbraw/zinc/09/04/87/672090487.db2.gz IIZNXVLEISHHLH-OKILXGFUSA-N 1 3 304.456 0.369 20 0 DCADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037953832 693974164 /nfs/dbraw/zinc/97/41/64/693974164.db2.gz YTXVPOWINQYDCE-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CN(CCO)CCCO1)[NH+](CC)CC ZINC001150298892 1158842446 /nfs/dbraw/zinc/84/24/46/1158842446.db2.gz IZLUYJYRRACOBM-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959867854 688245058 /nfs/dbraw/zinc/24/50/58/688245058.db2.gz BDMVFRLAVZJZGR-BYNSBNAKSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959867854 688245061 /nfs/dbraw/zinc/24/50/61/688245061.db2.gz BDMVFRLAVZJZGR-BYNSBNAKSA-N 1 3 309.454 0.678 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC000960219644 688327777 /nfs/dbraw/zinc/32/77/77/688327777.db2.gz SYIDCHWZGMPSIH-KGLIPLIRSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC000960219644 688327783 /nfs/dbraw/zinc/32/77/83/688327783.db2.gz SYIDCHWZGMPSIH-KGLIPLIRSA-N 1 3 320.441 0.536 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CC[N@@H+](CCO)C2)C1 ZINC000961232286 688577853 /nfs/dbraw/zinc/57/78/53/688577853.db2.gz PIMZHJOLKCYAAE-KBPBESRZSA-N 1 3 306.410 0.505 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CC[N@H+](CCO)C2)C1 ZINC000961232286 688577855 /nfs/dbraw/zinc/57/78/55/688577855.db2.gz PIMZHJOLKCYAAE-KBPBESRZSA-N 1 3 306.410 0.505 20 0 DCADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961281302 688586730 /nfs/dbraw/zinc/58/67/30/688586730.db2.gz MHRJJDPLUOQLGH-ZBKZBXIDSA-N 1 3 319.449 0.696 20 0 DCADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961281302 688586734 /nfs/dbraw/zinc/58/67/34/688586734.db2.gz MHRJJDPLUOQLGH-ZBKZBXIDSA-N 1 3 319.449 0.696 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961455590 688623270 /nfs/dbraw/zinc/62/32/70/688623270.db2.gz DNLKWOIHSBAUKJ-KBXIAJHMSA-N 1 3 309.454 0.942 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961455590 688623271 /nfs/dbraw/zinc/62/32/71/688623271.db2.gz DNLKWOIHSBAUKJ-KBXIAJHMSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC(CNCc2ccn(C)n2)C1 ZINC000962305231 688878317 /nfs/dbraw/zinc/87/83/17/688878317.db2.gz DXWXEOQUNDTUND-VQCLRJIVSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(CNCc2ccn(C)n2)C1 ZINC000962305231 688878318 /nfs/dbraw/zinc/87/83/18/688878318.db2.gz DXWXEOQUNDTUND-VQCLRJIVSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]([NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1)C(N)=O ZINC000965061218 689347810 /nfs/dbraw/zinc/34/78/10/689347810.db2.gz ANECQEPWZWUTJY-RQRWYUMJSA-N 1 3 322.453 0.362 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CCC1 ZINC000968904122 690420052 /nfs/dbraw/zinc/42/00/52/690420052.db2.gz KCZIYPPJOBJGKO-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO O=C(NC[C@H]1CCCCCN1CCO)C12CCC[NH+]1CCC2 ZINC000968934137 690428832 /nfs/dbraw/zinc/42/88/32/690428832.db2.gz NYFAHSUEBUUBDS-OAHLLOKOSA-N 1 3 309.454 0.968 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001007989490 690784358 /nfs/dbraw/zinc/78/43/58/690784358.db2.gz LAKBOINSJNCXAD-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001007989490 690784362 /nfs/dbraw/zinc/78/43/62/690784362.db2.gz LAKBOINSJNCXAD-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015324712 692264568 /nfs/dbraw/zinc/26/45/68/692264568.db2.gz PMZVJODZQVBVQG-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015324712 692264572 /nfs/dbraw/zinc/26/45/72/692264572.db2.gz PMZVJODZQVBVQG-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970858 692528759 /nfs/dbraw/zinc/52/87/59/692528759.db2.gz UQELUBKHYPCPRQ-BBRMVZONSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCCO)CC3)C1 ZINC001016818420 692777792 /nfs/dbraw/zinc/77/77/92/692777792.db2.gz DMHHKVNVILHNBI-HUUCEWRRSA-N 1 3 309.454 0.681 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC001019030424 693329053 /nfs/dbraw/zinc/32/90/53/693329053.db2.gz JCBCENPBEKWIIS-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001019043603 693334811 /nfs/dbraw/zinc/33/48/11/693334811.db2.gz AQBFNZRDASUFKD-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001019653595 693555152 /nfs/dbraw/zinc/55/51/52/693555152.db2.gz NISKMKJCGNTPMU-OLZOCXBDSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001019653595 693555155 /nfs/dbraw/zinc/55/51/55/693555155.db2.gz NISKMKJCGNTPMU-OLZOCXBDSA-N 1 3 306.414 0.145 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001019815770 693595962 /nfs/dbraw/zinc/59/59/62/693595962.db2.gz MROWQMPBTYCRLK-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072677389 694651280 /nfs/dbraw/zinc/65/12/80/694651280.db2.gz OVXGXPJCMQZRIR-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CO[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072815072 694669450 /nfs/dbraw/zinc/66/94/50/694669450.db2.gz RJVYTDFIBYIZMB-HIFRSBDPSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072815072 694669452 /nfs/dbraw/zinc/66/94/52/694669452.db2.gz RJVYTDFIBYIZMB-HIFRSBDPSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C)C(N)=O ZINC001075128633 694939401 /nfs/dbraw/zinc/93/94/01/694939401.db2.gz PLEPNSAVJSHTHD-IHRRRGAJSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001075154718 694940199 /nfs/dbraw/zinc/94/01/99/694940199.db2.gz BEPRCIZNBWZJAI-QWHCGFSZSA-N 1 3 321.425 0.400 20 0 DCADHO COCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798817 694977413 /nfs/dbraw/zinc/97/74/13/694977413.db2.gz PMFZYIQKRUHGLY-ARFHVFGLSA-N 1 3 307.438 0.507 20 0 DCADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CN(CCCO)C[C@H]21 ZINC001076083905 694997746 /nfs/dbraw/zinc/99/77/46/694997746.db2.gz WUNIGQNQIHZWOJ-GVDBMIGSSA-N 1 3 321.465 0.776 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076952193 695107363 /nfs/dbraw/zinc/10/73/63/695107363.db2.gz QEKMFVSEAZBXQH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076952193 695107365 /nfs/dbraw/zinc/10/73/65/695107365.db2.gz QEKMFVSEAZBXQH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCn1cncn1 ZINC001570514267 1162532681 /nfs/dbraw/zinc/53/26/81/1162532681.db2.gz NPNBBNNXEGOKMT-AWEZNQCLSA-N 1 3 317.397 0.215 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCF ZINC001571580267 1162823286 /nfs/dbraw/zinc/82/32/86/1162823286.db2.gz MUFOTFZQRGGNTP-KGLIPLIRSA-N 1 3 303.422 0.628 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cncn1C ZINC001266718523 1157537220 /nfs/dbraw/zinc/53/72/20/1157537220.db2.gz SOPVSRJPTMOGOX-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cncn1C ZINC001266718523 1157537223 /nfs/dbraw/zinc/53/72/23/1157537223.db2.gz SOPVSRJPTMOGOX-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(CCOCC(F)F)C2)C1 ZINC001691171576 1157605456 /nfs/dbraw/zinc/60/54/56/1157605456.db2.gz WTXARFCIFQENNW-STQMWFEESA-N 1 3 319.396 0.658 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(CCOCC(F)F)C2)C1 ZINC001691171576 1157605458 /nfs/dbraw/zinc/60/54/58/1157605458.db2.gz WTXARFCIFQENNW-STQMWFEESA-N 1 3 319.396 0.658 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001691324699 1157642548 /nfs/dbraw/zinc/64/25/48/1157642548.db2.gz RINQHUOHEVYNCN-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001691324699 1157642550 /nfs/dbraw/zinc/64/25/50/1157642550.db2.gz RINQHUOHEVYNCN-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CCC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CCCN1C ZINC001754362736 1157710313 /nfs/dbraw/zinc/71/03/13/1157710313.db2.gz FACKODIJDSEZIA-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO CN(C)[C@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)Cc1ccccc1 ZINC001648962062 1158189083 /nfs/dbraw/zinc/18/90/83/1158189083.db2.gz LAEOIOHUNNVHRA-FUHWJXTLSA-N 1 3 319.449 0.780 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001649025003 1158493464 /nfs/dbraw/zinc/49/34/64/1158493464.db2.gz MQJNWKIOKMXABC-UHFFFAOYSA-N 1 3 308.426 0.829 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C[NH2+]1 ZINC001649037803 1158607697 /nfs/dbraw/zinc/60/76/97/1158607697.db2.gz BMFOLERRXYBVDV-DDTOSNHZSA-N 1 3 316.405 0.769 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001649141156 1158787703 /nfs/dbraw/zinc/78/77/03/1158787703.db2.gz BWRCQVHDKOVUQP-REWJHTLYSA-N 1 3 311.426 0.456 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001446536510 1159463037 /nfs/dbraw/zinc/46/30/37/1159463037.db2.gz KNYRNDMPPXGFBY-UKRRQHHQSA-N 1 3 303.422 0.629 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001446536510 1159463041 /nfs/dbraw/zinc/46/30/41/1159463041.db2.gz KNYRNDMPPXGFBY-UKRRQHHQSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001447347436 1159624190 /nfs/dbraw/zinc/62/41/90/1159624190.db2.gz UFAPTPHOOMQFGR-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001447347436 1159624200 /nfs/dbraw/zinc/62/42/00/1159624200.db2.gz UFAPTPHOOMQFGR-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCC(CC)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567604622 1160438219 /nfs/dbraw/zinc/43/82/19/1160438219.db2.gz IYHJYZDYAJZRCH-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCC(CC)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001567604622 1160438222 /nfs/dbraw/zinc/43/82/22/1160438222.db2.gz IYHJYZDYAJZRCH-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001568379877 1160638100 /nfs/dbraw/zinc/63/81/00/1160638100.db2.gz YPRREZBVIRPVKP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC[C@@H]1CCCCO1 ZINC001568589775 1160696513 /nfs/dbraw/zinc/69/65/13/1160696513.db2.gz SVHBOJYSGXEHCA-KBPBESRZSA-N 1 3 324.425 0.287 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001568906835 1160857606 /nfs/dbraw/zinc/85/76/06/1160857606.db2.gz YIQNEOSVKQLHGF-PGQSHUBFSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001568906835 1160857610 /nfs/dbraw/zinc/85/76/10/1160857610.db2.gz YIQNEOSVKQLHGF-PGQSHUBFSA-N 1 3 322.453 0.257 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC/C=C/C[NH2+]CCCO)C1 ZINC001568919721 1160867226 /nfs/dbraw/zinc/86/72/26/1160867226.db2.gz HNGUZOGVVATMFG-DWTRPJMMSA-N 1 3 315.433 0.843 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCn1cccn1 ZINC001569038874 1160924838 /nfs/dbraw/zinc/92/48/38/1160924838.db2.gz SJHVSMQORJYEKS-HUUCEWRRSA-N 1 3 307.442 0.852 20 0 DCADHO CCCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569091750 1160940033 /nfs/dbraw/zinc/94/00/33/1160940033.db2.gz CQCVBMAGJQQMDJ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001570005768 1161378317 /nfs/dbraw/zinc/37/83/17/1161378317.db2.gz NLYKBAWLEQVIBF-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO O=C(NCc1ccccc1CN1CCC(O)CC1)NC1C[NH2+]C1 ZINC001574331012 1163697866 /nfs/dbraw/zinc/69/78/66/1163697866.db2.gz IQNPQEBLEIPAKB-UHFFFAOYSA-N 1 3 318.421 0.414 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001575139129 1163912649 /nfs/dbraw/zinc/91/26/49/1163912649.db2.gz ILMJBRDQQJKHLR-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001575139562 1163913681 /nfs/dbraw/zinc/91/36/81/1163913681.db2.gz NCEXPKBHSYDCFP-CABCVRRESA-N 1 3 323.485 0.548 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001575139565 1163913906 /nfs/dbraw/zinc/91/39/06/1163913906.db2.gz NCEXPKBHSYDCFP-HUUCEWRRSA-N 1 3 323.485 0.548 20 0 DCADHO CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cnn[n-]1 ZINC001575407276 1164001511 /nfs/dbraw/zinc/00/15/11/1164001511.db2.gz DVWYXEYFTMHZAF-UHFFFAOYSA-N 1 3 310.446 0.719 20 0 DCADHO CC(C)[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cnn[n-]1 ZINC001575407276 1164001519 /nfs/dbraw/zinc/00/15/19/1164001519.db2.gz DVWYXEYFTMHZAF-UHFFFAOYSA-N 1 3 310.446 0.719 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC001575962309 1164195084 /nfs/dbraw/zinc/19/50/84/1164195084.db2.gz OUSTUCULTXFNKA-HLLBOEOZSA-N 1 3 308.470 0.518 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H]([NH3+])C(C)(C)C1)CN1CCN(C)CC1 ZINC001576016735 1164213038 /nfs/dbraw/zinc/21/30/38/1164213038.db2.gz ATZZGTZWSACCAK-KBPBESRZSA-N 1 3 311.474 0.249 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1([C@]2(O)CCC[NH2+]C2)CCC1 ZINC001576797221 1164467267 /nfs/dbraw/zinc/46/72/67/1164467267.db2.gz AYKUYGHZKUWZRB-SIIHOXLZSA-N 1 3 321.465 0.870 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNCc2c[nH]nn2)C1 ZINC001576877353 1164509470 /nfs/dbraw/zinc/50/94/70/1164509470.db2.gz UVUAODYCASLHRQ-UKRRQHHQSA-N 1 3 320.441 0.617 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNCc2c[nH]nn2)C1 ZINC001576877353 1164509496 /nfs/dbraw/zinc/50/94/96/1164509496.db2.gz UVUAODYCASLHRQ-UKRRQHHQSA-N 1 3 320.441 0.617 20 0 DCADHO CC[C@H](CN1CCOCC1)N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001577084744 1164599208 /nfs/dbraw/zinc/59/92/08/1164599208.db2.gz GXXSPGKSTIAJSC-LTIDMASMSA-N 1 3 311.470 0.844 20 0 DCADHO CCC1(N2CCOCC2)CCN([C@@H]2C[NH2+]CC[C@@]2(C)O)CC1 ZINC001577230650 1164644966 /nfs/dbraw/zinc/64/49/66/1164644966.db2.gz UMUKSVVMAIJBQL-HZPDHXFCSA-N 1 3 311.470 0.676 20 0 DCADHO CCC[C@H](C)C(=O)NCC[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001577335763 1164672093 /nfs/dbraw/zinc/67/20/93/1164672093.db2.gz BFBWFRLODIXYEK-UONOGXRCSA-N 1 3 312.458 0.326 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H](NCc2cn[nH]n2)C1 ZINC001577830848 1164809951 /nfs/dbraw/zinc/80/99/51/1164809951.db2.gz KZEPNMVEESOGCU-OKILXGFUSA-N 1 3 320.441 0.808 20 0 DCADHO CCOC(=O)N1CCC(C)(CN2CCN(C3C[NH2+]C3)CC2)CC1 ZINC001577967037 1164866212 /nfs/dbraw/zinc/86/62/12/1164866212.db2.gz GABFLECMRWADJW-UHFFFAOYSA-N 1 3 324.469 0.834 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1(C)C ZINC001578090662 1164920504 /nfs/dbraw/zinc/92/05/04/1164920504.db2.gz PEGGEBRLZFSYKF-OQUILHJVSA-N 1 3 309.454 0.929 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1(C)C ZINC001578090662 1164920511 /nfs/dbraw/zinc/92/05/11/1164920511.db2.gz PEGGEBRLZFSYKF-OQUILHJVSA-N 1 3 309.454 0.929 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001578397332 1164997648 /nfs/dbraw/zinc/99/76/48/1164997648.db2.gz LDEBIZHACMULLY-QPSCCSFWSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CCOCC[NH3+])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001578477201 1165030292 /nfs/dbraw/zinc/03/02/92/1165030292.db2.gz JYTFEFSAUWXPNA-ZDUSSCGKSA-N 1 3 317.430 0.529 20 0 DCADHO CN1C[C@@H](NC(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)C(C)(C)C1 ZINC001578520613 1165040609 /nfs/dbraw/zinc/04/06/09/1165040609.db2.gz DRCOYEISVFWQQS-CXAGYDPISA-N 1 3 309.454 0.728 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC001578533290 1165049404 /nfs/dbraw/zinc/04/94/04/1165049404.db2.gz DMRNBFPIEHETJO-OAHLLOKOSA-N 1 3 309.458 0.145 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC001578533530 1165049423 /nfs/dbraw/zinc/04/94/23/1165049423.db2.gz MOUXPDHZUCKXSN-IDTUSYRASA-N 1 3 308.470 0.684 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC001579301992 1165266262 /nfs/dbraw/zinc/26/62/62/1165266262.db2.gz SWRIQNLRMUHBAQ-WMLDXEAASA-N 1 3 321.421 0.658 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC001579301992 1165266269 /nfs/dbraw/zinc/26/62/69/1165266269.db2.gz SWRIQNLRMUHBAQ-WMLDXEAASA-N 1 3 321.421 0.658 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccnc(CN)c1 ZINC001579397112 1165297280 /nfs/dbraw/zinc/29/72/80/1165297280.db2.gz HQZUMXJDNSDWAR-ZDUSSCGKSA-N 1 3 307.442 0.542 20 0 DCADHO Cn1nc2c(c1CNCCN1CCC([NH3+])CC1)CSCC2 ZINC001579998388 1165466078 /nfs/dbraw/zinc/46/60/78/1165466078.db2.gz NEWQELRHHOYXQU-UHFFFAOYSA-N 1 3 309.483 0.722 20 0 DCADHO NC1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)Cc2ccccc2C1 ZINC001580137117 1165515355 /nfs/dbraw/zinc/51/53/55/1165515355.db2.gz BJALJDJPJUVWCL-MRXNPFEDSA-N 1 3 317.433 0.446 20 0 DCADHO [NH3+]CC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC(O)C1 ZINC001580233880 1165542408 /nfs/dbraw/zinc/54/24/08/1165542408.db2.gz DPBYFAJMUNUGKU-KLHKWILBSA-N 1 3 317.433 0.867 20 0 DCADHO NCc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)nn1 ZINC001580352347 1165580913 /nfs/dbraw/zinc/58/09/13/1165580913.db2.gz XQKGESWBTJBZRR-OAHLLOKOSA-N 1 3 318.425 0.527 20 0 DCADHO NCc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)nn1 ZINC001580352347 1165580918 /nfs/dbraw/zinc/58/09/18/1165580918.db2.gz XQKGESWBTJBZRR-OAHLLOKOSA-N 1 3 318.425 0.527 20 0 DCADHO COCCN(C)CCNC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC001646739434 1172502466 /nfs/dbraw/zinc/50/24/66/1172502466.db2.gz HNGKBADIHWDUNZ-UHFFFAOYSA-N 1 3 305.382 0.101 20 0 DCADHO O=C(c1ccc2c(c1)OCCNC2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001646742815 1172504606 /nfs/dbraw/zinc/50/46/06/1172504606.db2.gz CQBNTSQMIKWLTM-QGZVFWFLSA-N 1 3 301.390 0.994 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@@H]4N)CC[C@@H]21 ZINC001646781815 1172528511 /nfs/dbraw/zinc/52/85/11/1172528511.db2.gz XPYWWQTZMOCAME-DYEKYZERSA-N 1 3 303.410 0.843 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@@H]4N)CC[C@@H]21 ZINC001646781815 1172528516 /nfs/dbraw/zinc/52/85/16/1172528516.db2.gz XPYWWQTZMOCAME-DYEKYZERSA-N 1 3 303.410 0.843 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001646795135 1172536939 /nfs/dbraw/zinc/53/69/39/1172536939.db2.gz ONBHUVUTKHKCTC-WBMJQRKESA-N 1 3 305.426 0.747 20 0 DCADHO C[C@H]1[C@H](NC(=O)c2cnn3cc(CC[NH3+])cnc23)CCN1C ZINC001646800335 1172540236 /nfs/dbraw/zinc/54/02/36/1172540236.db2.gz OGGVUUFWYYEUQN-GXFFZTMASA-N 1 3 302.382 0.053 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC001647253619 1172767654 /nfs/dbraw/zinc/76/76/54/1172767654.db2.gz MAZNDGWQWHVFCH-XRGAULLZSA-N 1 3 307.438 0.968 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC[C@H](O)CC[C@H](O)c1ccccc1 ZINC001647557809 1172970787 /nfs/dbraw/zinc/97/07/87/1172970787.db2.gz GEWXDHMMLJGDJK-IXDOHACOSA-N 1 3 310.438 0.763 20 0 DCADHO N[C@H](CC(F)F)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001649856907 1173263765 /nfs/dbraw/zinc/26/37/65/1173263765.db2.gz WNOWUAFMAPFQNI-VXGBXAGGSA-N 1 3 305.369 0.729 20 0 DCADHO NC(=O)COC1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC001649893853 1173288435 /nfs/dbraw/zinc/28/84/35/1173288435.db2.gz QXSXCPDMDJBMPV-UHFFFAOYSA-N 1 3 315.377 0.734 20 0 DCADHO NC(=O)COC1CC[NH+](Cc2ccnn2-c2ccncc2)CC1 ZINC001649893853 1173288438 /nfs/dbraw/zinc/28/84/38/1173288438.db2.gz QXSXCPDMDJBMPV-UHFFFAOYSA-N 1 3 315.377 0.734 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC001650183399 1173504005 /nfs/dbraw/zinc/50/40/05/1173504005.db2.gz PFGLCMHLVTXAFF-QSUJPZROSA-N 1 3 308.426 0.419 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001650383324 1173606531 /nfs/dbraw/zinc/60/65/31/1173606531.db2.gz HBJMLCRUFZJPDQ-CFAJVAMVSA-N 1 3 323.437 0.600 20 0 DCADHO COCCOC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001652938353 1173778405 /nfs/dbraw/zinc/77/84/05/1173778405.db2.gz SHQMNAOQATZMBU-USXIJHARSA-N 1 3 312.454 0.959 20 0 DCADHO COCCOC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001652938353 1173778412 /nfs/dbraw/zinc/77/84/12/1173778412.db2.gz SHQMNAOQATZMBU-USXIJHARSA-N 1 3 312.454 0.959 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CC[NH+](CCCCCO)CC1 ZINC001654387773 1173805270 /nfs/dbraw/zinc/80/52/70/1173805270.db2.gz LNNUXNOHOCYYQM-KRWDZBQOSA-N 1 3 313.486 0.735 20 0 DCADHO C[C@H](O)CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001656222020 1173853976 /nfs/dbraw/zinc/85/39/76/1173853976.db2.gz AIBTXSQIPMMBPQ-VGWMRTNUSA-N 1 3 311.470 0.974 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCn1cccn1)N(C)C ZINC001667032797 1174656871 /nfs/dbraw/zinc/65/68/71/1174656871.db2.gz DQZRCBZILSOJDF-CABCVRRESA-N 1 3 309.458 0.906 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001668213535 1174768925 /nfs/dbraw/zinc/76/89/25/1174768925.db2.gz BMDWDZYEXNIYSP-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001668587036 1174811889 /nfs/dbraw/zinc/81/18/89/1174811889.db2.gz TZSRKOBFPUZYQG-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001669188638 1174907136 /nfs/dbraw/zinc/90/71/36/1174907136.db2.gz GZCZPEPIOPRNCT-NHQLZKDQSA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001669188638 1174907140 /nfs/dbraw/zinc/90/71/40/1174907140.db2.gz GZCZPEPIOPRNCT-NHQLZKDQSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H](C[NH2+]CCO[C@H]1CC1(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001669312744 1174918798 /nfs/dbraw/zinc/91/87/98/1174918798.db2.gz GRLLXJIOZGXDNR-NEPJUHHUSA-N 1 3 319.396 0.989 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001670357451 1175006816 /nfs/dbraw/zinc/00/68/16/1175006816.db2.gz GLVCAPRHHUVDLL-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001677444994 1175564773 /nfs/dbraw/zinc/56/47/73/1175564773.db2.gz JPKSTRFAFZCENW-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001686707642 1176197815 /nfs/dbraw/zinc/19/78/15/1176197815.db2.gz FHFXGDCATUEQSL-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCCN2CC(N)=O)C1 ZINC001690909253 1177345894 /nfs/dbraw/zinc/34/58/94/1177345894.db2.gz BYNRRMHKIXPLHF-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCC[C@H]2CCCN2CC(N)=O)C1 ZINC001690909253 1177345901 /nfs/dbraw/zinc/34/59/01/1177345901.db2.gz BYNRRMHKIXPLHF-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001690909253 1177345908 /nfs/dbraw/zinc/34/59/08/1177345908.db2.gz BYNRRMHKIXPLHF-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001690909253 1177345915 /nfs/dbraw/zinc/34/59/15/1177345915.db2.gz BYNRRMHKIXPLHF-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CCOCC1CC1)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001699002549 1177763179 /nfs/dbraw/zinc/76/31/79/1177763179.db2.gz TYTRXBNPDFBOPE-UHFFFAOYSA-N 1 3 309.454 0.899 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnn(C)c1)N(C)C ZINC001699134937 1177884770 /nfs/dbraw/zinc/88/47/70/1177884770.db2.gz NTPLRDJEKRQVCI-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCc2ccnn2C)C1 ZINC001699307378 1178049898 /nfs/dbraw/zinc/04/98/98/1178049898.db2.gz FJYNIUKZDPQXOB-NHZBNJEXSA-N 1 3 319.453 0.566 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(N)=O ZINC001699314156 1178057994 /nfs/dbraw/zinc/05/79/94/1178057994.db2.gz LFIHPPYBVZQTKF-KXLSMFKISA-N 1 3 324.469 0.775 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(N)=O ZINC001699314156 1178058001 /nfs/dbraw/zinc/05/80/01/1178058001.db2.gz LFIHPPYBVZQTKF-KXLSMFKISA-N 1 3 324.469 0.775 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699343189 1178088385 /nfs/dbraw/zinc/08/83/85/1178088385.db2.gz ZBZMJCVXFLTWAL-ICWYTKJFSA-N 1 3 324.469 0.361 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001699343189 1178088393 /nfs/dbraw/zinc/08/83/93/1178088393.db2.gz ZBZMJCVXFLTWAL-ICWYTKJFSA-N 1 3 324.469 0.361 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)[C@@H]1CCCN1C ZINC001699500378 1178166763 /nfs/dbraw/zinc/16/67/63/1178166763.db2.gz VIADBNWBQISEDW-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)C12CC[NH+](CC1)C2 ZINC001699545435 1178194171 /nfs/dbraw/zinc/19/41/71/1178194171.db2.gz QDEVYTHSZFNKMP-UHFFFAOYSA-N 1 3 309.439 0.572 20 0 DCADHO C[C@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001700676061 1178701861 /nfs/dbraw/zinc/70/18/61/1178701861.db2.gz UURUYKILCUGMIZ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001703288246 1179445338 /nfs/dbraw/zinc/44/53/38/1179445338.db2.gz GCXOUSIAHFTMEM-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001703288246 1179445340 /nfs/dbraw/zinc/44/53/40/1179445340.db2.gz GCXOUSIAHFTMEM-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCn2cccn2)C1 ZINC001714368015 1181337394 /nfs/dbraw/zinc/33/73/94/1181337394.db2.gz VSGXZUCXEYRSNQ-CYBMUJFWSA-N 1 3 302.382 0.287 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714706246 1181494289 /nfs/dbraw/zinc/49/42/89/1181494289.db2.gz FVUQUKPKWIYVIG-HNNXBMFYSA-N 1 3 305.426 0.310 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCC=C(Cl)Cl)CC1 ZINC001715603823 1181890590 /nfs/dbraw/zinc/89/05/90/1181890590.db2.gz KZQDAFBELAILRA-LLVKDONJSA-N 1 3 324.252 0.714 20 0 DCADHO C[C@H](CCNCc1cc2n(n1)CCC2)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715706345 1181950267 /nfs/dbraw/zinc/95/02/67/1181950267.db2.gz ISCLCBIGGQMEPC-ZIAGYGMSSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@H](CCNCc1cc2n(n1)CCC2)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715706345 1181950271 /nfs/dbraw/zinc/95/02/71/1181950271.db2.gz ISCLCBIGGQMEPC-ZIAGYGMSSA-N 1 3 319.453 0.765 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)n1 ZINC001715801068 1182011837 /nfs/dbraw/zinc/01/18/37/1182011837.db2.gz TXMQUVHGADWGMU-APHBUQMISA-N 1 3 319.453 0.856 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716222052 1182263711 /nfs/dbraw/zinc/26/37/11/1182263711.db2.gz LVAAHYFFTRDMCG-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001716222052 1182263715 /nfs/dbraw/zinc/26/37/15/1182263715.db2.gz LVAAHYFFTRDMCG-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716248792 1182275962 /nfs/dbraw/zinc/27/59/62/1182275962.db2.gz LBWAJMRGAKQZGJ-CYBMUJFWSA-N 1 3 308.430 0.393 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716248792 1182275968 /nfs/dbraw/zinc/27/59/68/1182275968.db2.gz LBWAJMRGAKQZGJ-CYBMUJFWSA-N 1 3 308.430 0.393 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001716368863 1182361330 /nfs/dbraw/zinc/36/13/30/1182361330.db2.gz AOHVKNGRJRJCDH-JVLHDJIHSA-N 1 3 318.421 0.949 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCCCN1C ZINC001716549262 1182437419 /nfs/dbraw/zinc/43/74/19/1182437419.db2.gz UGTZHINXMJYVPY-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]CCCF)CC1 ZINC001717324684 1182782331 /nfs/dbraw/zinc/78/23/31/1182782331.db2.gz XIVGHKIUMLGVIP-UHFFFAOYSA-N 1 3 303.422 0.631 20 0 DCADHO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H](C)N1CCCCCC1 ZINC001724682224 1184518670 /nfs/dbraw/zinc/51/86/70/1184518670.db2.gz SPUMJADMCLTQIK-HUUCEWRRSA-N 1 3 315.458 0.042 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]CCCO)[C@H]2C1 ZINC001725621544 1184916261 /nfs/dbraw/zinc/91/62/61/1184916261.db2.gz KTJKBKXPXBXKHG-AEGPPILISA-N 1 3 306.410 0.551 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731921993 1185576419 /nfs/dbraw/zinc/57/64/19/1185576419.db2.gz LKPMMOPYRBKNKK-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001731921993 1185576431 /nfs/dbraw/zinc/57/64/31/1185576431.db2.gz LKPMMOPYRBKNKK-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC[NH2+]CCCc1nc(C)no1)C(=O)[C@@H]1CCCN1C ZINC001732766530 1185955985 /nfs/dbraw/zinc/95/59/85/1185955985.db2.gz DUTREZDSZSQROZ-AWEZNQCLSA-N 1 3 323.441 0.843 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001732807380 1185977247 /nfs/dbraw/zinc/97/72/47/1185977247.db2.gz NFGDSOKAVFSMNI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001732872193 1186028612 /nfs/dbraw/zinc/02/86/12/1186028612.db2.gz BDJDFIYBNOWZKU-NMONBKHDSA-N 1 3 322.453 0.257 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001732872193 1186028622 /nfs/dbraw/zinc/02/86/22/1186028622.db2.gz BDJDFIYBNOWZKU-NMONBKHDSA-N 1 3 322.453 0.257 20 0 DCADHO COc1cc(CNC/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001732934957 1186068528 /nfs/dbraw/zinc/06/85/28/1186068528.db2.gz UAWMOBQHMNUJBS-BWPKMQGJSA-N 1 3 318.421 0.804 20 0 DCADHO COc1cc(CNC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001732934957 1186068534 /nfs/dbraw/zinc/06/85/34/1186068534.db2.gz UAWMOBQHMNUJBS-BWPKMQGJSA-N 1 3 318.421 0.804 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001732954386 1186079513 /nfs/dbraw/zinc/07/95/13/1186079513.db2.gz OYQFSQYNLPLNDH-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001732998912 1186097123 /nfs/dbraw/zinc/09/71/23/1186097123.db2.gz OEAUMLOAXXHMCO-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(N1CCO[C@@H](CNCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001733738369 1186423108 /nfs/dbraw/zinc/42/31/08/1186423108.db2.gz RANGQXJCUAMSLX-AWEZNQCLSA-N 1 3 313.417 0.649 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN(C)C(C)C)CC[N@@H+]1C ZINC001736774146 1187098549 /nfs/dbraw/zinc/09/85/49/1187098549.db2.gz KPCLGZGFIJKHGY-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN(C)C(C)C)CC[N@H+]1C ZINC001736774146 1187098554 /nfs/dbraw/zinc/09/85/54/1187098554.db2.gz KPCLGZGFIJKHGY-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCCN(C)C1=O ZINC001752055605 1188383146 /nfs/dbraw/zinc/38/31/46/1188383146.db2.gz DDOZEZCTEMBKSF-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001752952247 1188466877 /nfs/dbraw/zinc/46/68/77/1188466877.db2.gz VHSMZDHNSQVHFE-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001753039798 1188481544 /nfs/dbraw/zinc/48/15/44/1188481544.db2.gz KGNXRCJDANHQKP-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753039798 1188481548 /nfs/dbraw/zinc/48/15/48/1188481548.db2.gz KGNXRCJDANHQKP-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001753202624 1188534086 /nfs/dbraw/zinc/53/40/86/1188534086.db2.gz NVKUJUAQSPOFGK-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001753202624 1188534087 /nfs/dbraw/zinc/53/40/87/1188534087.db2.gz NVKUJUAQSPOFGK-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001753216947 1188538712 /nfs/dbraw/zinc/53/87/12/1188538712.db2.gz OFXXSPKNAZDEJL-UHFFFAOYSA-N 1 3 320.437 0.198 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001753260380 1188551672 /nfs/dbraw/zinc/55/16/72/1188551672.db2.gz JONMCOASFWXHEH-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001753260380 1188551675 /nfs/dbraw/zinc/55/16/75/1188551675.db2.gz JONMCOASFWXHEH-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001754000300 1188707903 /nfs/dbraw/zinc/70/79/03/1188707903.db2.gz XUJFYNOAMNVLDY-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCO ZINC001754350788 1188827608 /nfs/dbraw/zinc/82/76/08/1188827608.db2.gz FQTKYDVMHREULB-ZIAGYGMSSA-N 1 3 308.426 0.908 20 0 DCADHO COCC[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCOCC1 ZINC001755095436 1189021314 /nfs/dbraw/zinc/02/13/14/1189021314.db2.gz HUAPTSARYPEPON-UHFFFAOYSA-N 1 3 313.442 0.372 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOCC(F)F ZINC001755116290 1189028253 /nfs/dbraw/zinc/02/82/53/1189028253.db2.gz KRMGVFDXOVBGPE-CMPLNLGQSA-N 1 3 316.352 0.670 20 0 DCADHO C[C@H](CCC[NH2+][C@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001755502594 1189130299 /nfs/dbraw/zinc/13/02/99/1189130299.db2.gz JNESYVCNNUIHDK-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001755789385 1189214486 /nfs/dbraw/zinc/21/44/86/1189214486.db2.gz MIMYUUKYAIFNQF-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO COCCN1CCC(NC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001772050062 1190418559 /nfs/dbraw/zinc/41/85/59/1190418559.db2.gz OARGRPIEPVNIIK-ZIAGYGMSSA-N 1 3 312.458 0.642 20 0 DCADHO C[C@@H](O)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001772047712 1190599666 /nfs/dbraw/zinc/59/96/66/1190599666.db2.gz BNNAIKOWCOESSU-CQSZACIVSA-N 1 3 305.422 0.983 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CNCCO1)c1cccnc1 ZINC001772063552 1190602727 /nfs/dbraw/zinc/60/27/27/1190602727.db2.gz LHEGHERLGHFZFX-CABCVRRESA-N 1 3 321.425 0.362 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC001772222918 1190634514 /nfs/dbraw/zinc/63/45/14/1190634514.db2.gz OKWNWAWMNHLBRI-HZPDHXFCSA-N 1 3 304.438 0.618 20 0 DCADHO C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC001772258249 1190645789 /nfs/dbraw/zinc/64/57/89/1190645789.db2.gz WGMNSDNNKLOBCE-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)CNC[C@@H]1CCCO1)c1cccnc1 ZINC001772273565 1190650296 /nfs/dbraw/zinc/65/02/96/1190650296.db2.gz BJCRAOWSBBLQHF-HOTGVXAUSA-N 1 3 320.437 0.959 20 0 DCADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCc1cn[nH]n1 ZINC001576024134 1164214450 /nfs/dbraw/zinc/21/44/50/1164214450.db2.gz RMRYLSLUJLZBEJ-GXTWGEPZSA-N 1 3 308.430 0.268 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](CCO)CC(C)(C)C2)C1 ZINC001089490831 751417838 /nfs/dbraw/zinc/41/78/38/751417838.db2.gz GAJXJKQJSNZFLZ-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCO)CC(C)(C)C2)C1 ZINC001089490831 751417842 /nfs/dbraw/zinc/41/78/42/751417842.db2.gz GAJXJKQJSNZFLZ-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106909358 751537832 /nfs/dbraw/zinc/53/78/32/751537832.db2.gz GQFJPFGJQWNSIH-ZIAGYGMSSA-N 1 3 312.458 0.101 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643612 751601321 /nfs/dbraw/zinc/60/13/21/751601321.db2.gz CSNRQVKWKPVMLL-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643612 751601327 /nfs/dbraw/zinc/60/13/27/751601327.db2.gz CSNRQVKWKPVMLL-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@@H](C)C2CC2)CC[N@@H+]1C ZINC001127706573 751713383 /nfs/dbraw/zinc/71/33/83/751713383.db2.gz NQNBKUZCVOFCFL-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@@H](C)C2CC2)CC[N@H+]1C ZINC001127706573 751713387 /nfs/dbraw/zinc/71/33/87/751713387.db2.gz NQNBKUZCVOFCFL-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC001107039510 751789439 /nfs/dbraw/zinc/78/94/39/751789439.db2.gz VBQWTFYGZHWFQF-HUUCEWRRSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)(C(=O)NCC1([NH2+]CC(N)=O)CCCCC1)N1CCCC1 ZINC001115661517 751849766 /nfs/dbraw/zinc/84/97/66/751849766.db2.gz CSHUHNGHPSXVKU-UHFFFAOYSA-N 1 3 324.469 0.755 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H]2CCC[NH2+]CC2)CC1 ZINC001579039635 1165194067 /nfs/dbraw/zinc/19/40/67/1165194067.db2.gz WXTIJQJUQDCVOZ-AWEZNQCLSA-N 1 3 312.458 0.786 20 0 DCADHO O=C(NCCNCc1ccsc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786259 752090415 /nfs/dbraw/zinc/09/04/15/752090415.db2.gz WXXDZXQZCWQDHQ-ZIAGYGMSSA-N 1 3 309.435 0.817 20 0 DCADHO O=C(NCCNCc1ccsc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786259 752090418 /nfs/dbraw/zinc/09/04/18/752090418.db2.gz WXXDZXQZCWQDHQ-ZIAGYGMSSA-N 1 3 309.435 0.817 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001167232623 747031444 /nfs/dbraw/zinc/03/14/44/747031444.db2.gz KJTXTOMNBDNPKU-KGLIPLIRSA-N 1 3 324.469 0.468 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232616 747031834 /nfs/dbraw/zinc/03/18/34/747031834.db2.gz KEJSBXFUNXCTRH-AWEZNQCLSA-N 1 3 324.469 0.340 20 0 DCADHO O=C(N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249734 747425200 /nfs/dbraw/zinc/42/52/00/747425200.db2.gz UMFQZKXWGUGMEQ-JKSUJKDBSA-N 1 3 319.449 0.794 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001167626646 747436177 /nfs/dbraw/zinc/43/61/77/747436177.db2.gz DOYNNSINKZMLCR-HNNXBMFYSA-N 1 3 324.469 0.624 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001087259451 747572875 /nfs/dbraw/zinc/57/28/75/747572875.db2.gz OYSRCMSCLRHLTQ-RYUDHWBXSA-N 1 3 321.425 0.638 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001087259451 747572878 /nfs/dbraw/zinc/57/28/78/747572878.db2.gz OYSRCMSCLRHLTQ-RYUDHWBXSA-N 1 3 321.425 0.638 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001087261533 747581354 /nfs/dbraw/zinc/58/13/54/747581354.db2.gz NHZOPZLNBDWHHE-UHFFFAOYSA-N 1 3 305.382 0.004 20 0 DCADHO CC1(C)[C@H](NC(=O)C[NH+]2CCCC2)[C@H]2CCCN(CC(N)=O)[C@@H]21 ZINC001087317508 747651871 /nfs/dbraw/zinc/65/18/71/747651871.db2.gz JGGAFTFEJKBQAW-WQVCFCJDSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001077655730 752211505 /nfs/dbraw/zinc/21/15/05/752211505.db2.gz CXUJIQYLDMBYSE-DZGCQCFKSA-N 1 3 314.474 0.535 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001087393114 747916749 /nfs/dbraw/zinc/91/67/49/747916749.db2.gz RHIFYJMDZMGQLZ-MYPMTAMASA-N 1 3 304.394 0.113 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087393114 747916755 /nfs/dbraw/zinc/91/67/55/747916755.db2.gz RHIFYJMDZMGQLZ-MYPMTAMASA-N 1 3 304.394 0.113 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001203456403 752264454 /nfs/dbraw/zinc/26/44/54/752264454.db2.gz WYTLQXDHERRJJQ-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088212799 749290842 /nfs/dbraw/zinc/29/08/42/749290842.db2.gz QZERUWGDVLZFGS-PMPSAXMXSA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088212799 749290845 /nfs/dbraw/zinc/29/08/45/749290845.db2.gz QZERUWGDVLZFGS-PMPSAXMXSA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001168335691 749921840 /nfs/dbraw/zinc/92/18/40/749921840.db2.gz QFLXKJRYUZIHBU-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001168345550 749926774 /nfs/dbraw/zinc/92/67/74/749926774.db2.gz QAEPIXGUMJDNSH-UHFFFAOYSA-N 1 3 315.458 0.212 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1 ZINC001101039612 749988038 /nfs/dbraw/zinc/98/80/38/749988038.db2.gz UUPJFUYXHGABJQ-UHFFFAOYSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077280961 750313543 /nfs/dbraw/zinc/31/35/43/750313543.db2.gz RGOXWSMLDRVVEQ-BZUAXINKSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077280961 750313547 /nfs/dbraw/zinc/31/35/47/750313547.db2.gz RGOXWSMLDRVVEQ-BZUAXINKSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001106668167 751222290 /nfs/dbraw/zinc/22/22/90/751222290.db2.gz GCEIYQPXNDUPHG-HZSPNIEDSA-N 1 3 324.469 0.276 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077975290 752934450 /nfs/dbraw/zinc/93/44/50/752934450.db2.gz ITVQMOPRLPJIBB-IAGOWNOFSA-N 1 3 321.465 0.680 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC001045067111 753030112 /nfs/dbraw/zinc/03/01/12/753030112.db2.gz LETDHOITOGCERL-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001078395528 753219888 /nfs/dbraw/zinc/21/98/88/753219888.db2.gz HMPAJRHONHBCQD-LBPRGKRZSA-N 1 3 323.441 0.613 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001078395528 753219889 /nfs/dbraw/zinc/21/98/89/753219889.db2.gz HMPAJRHONHBCQD-LBPRGKRZSA-N 1 3 323.441 0.613 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](F)CN(CC)CC ZINC001128551905 754088624 /nfs/dbraw/zinc/08/86/24/754088624.db2.gz HSZNTDLPNLBVAW-QWHCGFSZSA-N 1 3 318.437 0.287 20 0 DCADHO C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986913 754564044 /nfs/dbraw/zinc/56/40/44/754564044.db2.gz GKJGRGGEYWGFJT-GXTWGEPZSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063800 754598008 /nfs/dbraw/zinc/59/80/08/754598008.db2.gz GDFZHLYDNPFSDX-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CO[C@H](C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096355707 754740702 /nfs/dbraw/zinc/74/07/02/754740702.db2.gz BBLWSAYGFZXFQH-KBXIAJHMSA-N 1 3 307.438 0.839 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001048473983 754767536 /nfs/dbraw/zinc/76/75/36/754767536.db2.gz FMNGWEFOWPJOOM-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829685 754965494 /nfs/dbraw/zinc/96/54/94/754965494.db2.gz YTZBONXPWSEHSF-QKPAOTATSA-N 1 3 307.438 0.650 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829685 754965497 /nfs/dbraw/zinc/96/54/97/754965497.db2.gz YTZBONXPWSEHSF-QKPAOTATSA-N 1 3 307.438 0.650 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860146 754983340 /nfs/dbraw/zinc/98/33/40/754983340.db2.gz INWMWSINYMDIKB-MJBXVCDLSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860146 754983342 /nfs/dbraw/zinc/98/33/42/754983342.db2.gz INWMWSINYMDIKB-MJBXVCDLSA-N 1 3 322.453 0.125 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038723 755087288 /nfs/dbraw/zinc/08/72/88/755087288.db2.gz LMPLCKHAMLOMGB-LVQVYYBASA-N 1 3 311.470 0.998 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038723 755087295 /nfs/dbraw/zinc/08/72/95/755087295.db2.gz LMPLCKHAMLOMGB-LVQVYYBASA-N 1 3 311.470 0.998 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001072151389 762385594 /nfs/dbraw/zinc/38/55/94/762385594.db2.gz BDSDYXTZDDVLQA-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCCS(=O)(=O)CC ZINC001168763926 755380784 /nfs/dbraw/zinc/38/07/84/755380784.db2.gz UYHRVSZWHKHGJR-UHFFFAOYSA-N 1 3 321.487 0.249 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680889 755778005 /nfs/dbraw/zinc/77/80/05/755778005.db2.gz XFIMHBFYVDWKMJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001053038646 755904738 /nfs/dbraw/zinc/90/47/38/755904738.db2.gz JUFDHCJRAWFZOK-GJZGRUSLSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@H+](CCO)C2)C1 ZINC001053038646 755904741 /nfs/dbraw/zinc/90/47/41/755904741.db2.gz JUFDHCJRAWFZOK-GJZGRUSLSA-N 1 3 320.437 0.895 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1)C1CC1 ZINC001054144966 756383792 /nfs/dbraw/zinc/38/37/92/756383792.db2.gz GACXTWNYUMTASL-RDJZCZTQSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1)C1CC1 ZINC001054144966 756383796 /nfs/dbraw/zinc/38/37/96/756383796.db2.gz GACXTWNYUMTASL-RDJZCZTQSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935569 756392097 /nfs/dbraw/zinc/39/20/97/756392097.db2.gz ZKRVAAOYYOBTOQ-RBSFLKMASA-N 1 3 305.426 0.271 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935569 756392101 /nfs/dbraw/zinc/39/21/01/756392101.db2.gz ZKRVAAOYYOBTOQ-RBSFLKMASA-N 1 3 305.426 0.271 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001054296277 756426202 /nfs/dbraw/zinc/42/62/02/756426202.db2.gz KHKFPIKYNKJFRU-MCIONIFRSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1)N(C)C ZINC001081134000 756437441 /nfs/dbraw/zinc/43/74/41/756437441.db2.gz KGNQMONFGQAQDY-GVDBMIGSSA-N 1 3 319.449 0.903 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054738518 756623303 /nfs/dbraw/zinc/62/33/03/756623303.db2.gz QRIPYSDAEZBHCG-ZIAGYGMSSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1NCC(N)=O ZINC001054827721 756648423 /nfs/dbraw/zinc/64/84/23/756648423.db2.gz XUHSNUMEGKEKDR-GXTWGEPZSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1NCC(N)=O ZINC001054827721 756648427 /nfs/dbraw/zinc/64/84/27/756648427.db2.gz XUHSNUMEGKEKDR-GXTWGEPZSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082740750 757251407 /nfs/dbraw/zinc/25/14/07/757251407.db2.gz FCIRBGIJKWZGEO-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082919745 757322859 /nfs/dbraw/zinc/32/28/59/757322859.db2.gz DNFKCUPBCSTSFB-IVMMDQJWSA-N 1 3 319.453 0.617 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082919745 757322867 /nfs/dbraw/zinc/32/28/67/757322867.db2.gz DNFKCUPBCSTSFB-IVMMDQJWSA-N 1 3 319.453 0.617 20 0 DCADHO CN(CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001050221603 757502962 /nfs/dbraw/zinc/50/29/62/757502962.db2.gz HVFZYDBFTXEOOY-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050235791 757525056 /nfs/dbraw/zinc/52/50/56/757525056.db2.gz MDSFSHAVMCXZEB-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](C[C@H](C)O)CC2)N(C)C ZINC001050652522 757928510 /nfs/dbraw/zinc/92/85/10/757928510.db2.gz VFOWBCQRHWZNCO-LSDHHAIUSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nncc3c2OCCN3C)O1 ZINC001170271461 762587117 /nfs/dbraw/zinc/58/71/17/762587117.db2.gz ACUUJQCCTGRELO-LALPHHSUSA-N 1 3 323.397 0.442 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](C[C@H]1CCOC1)CC2 ZINC001050680586 757963075 /nfs/dbraw/zinc/96/30/75/757963075.db2.gz DQIZKFGAHGBBCI-CQSZACIVSA-N 1 3 318.421 0.913 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084938981 758130213 /nfs/dbraw/zinc/13/02/13/758130213.db2.gz NPSUDISYOIUELB-OAGGEKHMSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084938981 758130216 /nfs/dbraw/zinc/13/02/16/758130216.db2.gz NPSUDISYOIUELB-OAGGEKHMSA-N 1 3 309.454 0.774 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2O)CCC1 ZINC001099871446 758177644 /nfs/dbraw/zinc/17/76/44/758177644.db2.gz DBYRSSRYCWWGIE-QWHCGFSZSA-N 1 3 301.406 0.382 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCCF)C[C@H]2O)CCC1 ZINC001099871446 758177651 /nfs/dbraw/zinc/17/76/51/758177651.db2.gz DBYRSSRYCWWGIE-QWHCGFSZSA-N 1 3 301.406 0.382 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N(C)C[C@H]2C[NH2+]CCO2)cc1 ZINC001157716513 762606693 /nfs/dbraw/zinc/60/66/93/762606693.db2.gz OWOWGVUOKAXVFR-CVEARBPZSA-N 1 3 321.421 0.402 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001157720316 762621931 /nfs/dbraw/zinc/62/19/31/762621931.db2.gz GCZCVDISHJHUIF-HOCLYGCPSA-N 1 3 309.385 0.532 20 0 DCADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)N1CCCCCC1 ZINC001085352720 758829780 /nfs/dbraw/zinc/82/97/80/758829780.db2.gz UCLBCDIVUAGTIQ-RRFJBIMHSA-N 1 3 324.469 0.753 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC001099986328 759110858 /nfs/dbraw/zinc/11/08/58/759110858.db2.gz JADBYLSPUNYTHI-CVEARBPZSA-N 1 3 305.422 0.690 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001147824720 767853589 /nfs/dbraw/zinc/85/35/89/767853589.db2.gz NBTCSOXGLHSEHI-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCc2ccc(C(N)=O)cc2)C1 ZINC001147877462 767868450 /nfs/dbraw/zinc/86/84/50/767868450.db2.gz KSWCDWSMDMTYLH-CQSZACIVSA-N 1 3 318.421 0.333 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNCc2ccc(C(N)=O)cc2)C1 ZINC001147877462 767868457 /nfs/dbraw/zinc/86/84/57/767868457.db2.gz KSWCDWSMDMTYLH-CQSZACIVSA-N 1 3 318.421 0.333 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(N(CCO)CCF)CC1)[NH+](C)C ZINC001098399840 759583986 /nfs/dbraw/zinc/58/39/86/759583986.db2.gz VLJTVAYWEUISOW-HNNXBMFYSA-N 1 3 317.449 0.827 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900917 767879948 /nfs/dbraw/zinc/87/99/48/767879948.db2.gz ZAEFPNGCFVMDMT-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900917 767879954 /nfs/dbraw/zinc/87/99/54/767879954.db2.gz ZAEFPNGCFVMDMT-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086085012 759694447 /nfs/dbraw/zinc/69/44/47/759694447.db2.gz NZWGSDUIHHUACJ-LJISPDSOSA-N 1 3 322.453 0.232 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000089 767893198 /nfs/dbraw/zinc/89/31/98/767893198.db2.gz JRPVZRMJANPSSF-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086271672 759932695 /nfs/dbraw/zinc/93/26/95/759932695.db2.gz HQYDTHNZSXBKLM-NFAWXSAZSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086271672 759932700 /nfs/dbraw/zinc/93/27/00/759932700.db2.gz HQYDTHNZSXBKLM-NFAWXSAZSA-N 1 3 306.410 0.919 20 0 DCADHO CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086432454 760179280 /nfs/dbraw/zinc/17/92/80/760179280.db2.gz WACNCIPIYVZXEZ-MLURZJSDSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086432274 760182655 /nfs/dbraw/zinc/18/26/55/760182655.db2.gz PWNWHZJROHIHTE-AYVTUFRQSA-N 1 3 311.401 0.304 20 0 DCADHO CC[NH+]1CCC(NCCOCCOCCOCCO)CC1 ZINC001169225291 760606324 /nfs/dbraw/zinc/60/63/24/760606324.db2.gz QYCZUGADVYXIMX-UHFFFAOYSA-N 1 3 304.431 0.102 20 0 DCADHO CCOC(=O)N1CCC[C@H](N2CCN(CCC[NH3+])CC2)CC1 ZINC001169655745 760780087 /nfs/dbraw/zinc/78/00/87/760780087.db2.gz AJUIJOTXZQKTCA-HNNXBMFYSA-N 1 3 312.458 0.964 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209060 761136856 /nfs/dbraw/zinc/13/68/56/761136856.db2.gz KSKMLKMYGUXRJF-ILXRZTDVSA-N 1 3 320.441 0.368 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001148570754 768012705 /nfs/dbraw/zinc/01/27/05/768012705.db2.gz KZLZTLIPOJRTFG-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001148570754 768012713 /nfs/dbraw/zinc/01/27/13/768012713.db2.gz KZLZTLIPOJRTFG-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N[C@H](C)CC ZINC001148655356 768024102 /nfs/dbraw/zinc/02/41/02/768024102.db2.gz NKFPVHQIXSZBGM-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001070657727 761379727 /nfs/dbraw/zinc/37/97/27/761379727.db2.gz HRNRMHSRKBDECV-FMKPAKJESA-N 1 3 321.469 0.910 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001112586197 761703830 /nfs/dbraw/zinc/70/38/30/761703830.db2.gz MGCCIOXLRSYTCH-ZQIUZPCESA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](C)O)C1 ZINC001112586264 761703931 /nfs/dbraw/zinc/70/39/31/761703931.db2.gz QIAOIFVKBKGVTR-VYDXJSESSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001086551484 761827583 /nfs/dbraw/zinc/82/75/83/761827583.db2.gz BULRFIGOTAXVGG-XQLPTFJDSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001086551484 761827592 /nfs/dbraw/zinc/82/75/92/761827592.db2.gz BULRFIGOTAXVGG-XQLPTFJDSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H]1CC2(CN1C(=O)[C@H]1CCCN1C)CC[NH+](CCO)CC2 ZINC001086907929 768089573 /nfs/dbraw/zinc/08/95/73/768089573.db2.gz IDHRGOACYGJQHH-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129454119 762939082 /nfs/dbraw/zinc/93/90/82/762939082.db2.gz FOVKHXNGVSVBTF-GXTWGEPZSA-N 1 3 312.458 0.289 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001129849454 763024442 /nfs/dbraw/zinc/02/44/42/763024442.db2.gz FXZILSXYYJAKIN-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001129849454 763024451 /nfs/dbraw/zinc/02/44/51/763024451.db2.gz FXZILSXYYJAKIN-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129840407 763030472 /nfs/dbraw/zinc/03/04/72/763030472.db2.gz GAEKEDFXHISHLK-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129840407 763030477 /nfs/dbraw/zinc/03/04/77/763030477.db2.gz GAEKEDFXHISHLK-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)C[C@@H]2O)CCC1 ZINC001099875160 763091836 /nfs/dbraw/zinc/09/18/36/763091836.db2.gz WZIOAAXTMHQQDU-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C[C@@H]2O)CCC1 ZINC001099875160 763091846 /nfs/dbraw/zinc/09/18/46/763091846.db2.gz WZIOAAXTMHQQDU-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1 ZINC001130047567 763104079 /nfs/dbraw/zinc/10/40/79/763104079.db2.gz HWIUKTHRYKQQFK-CABCVRRESA-N 1 3 322.457 0.617 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001130107228 763127258 /nfs/dbraw/zinc/12/72/58/763127258.db2.gz KFEHAASZOAIZSF-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001130137203 763145144 /nfs/dbraw/zinc/14/51/44/763145144.db2.gz NLUUEHRBWFXUGR-CABCVRRESA-N 1 3 320.441 0.370 20 0 DCADHO O=C(CNCCNC(=O)C12CCC[NH+](CCC1)C2)NCC1CC1 ZINC001130170059 763160315 /nfs/dbraw/zinc/16/03/15/763160315.db2.gz OLSGRTBHWUQJII-UHFFFAOYSA-N 1 3 322.453 0.094 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)c1cccc(OC)c1)N(C)C ZINC001130205357 763178411 /nfs/dbraw/zinc/17/84/11/763178411.db2.gz KFVDWFWLIVATPW-CVEARBPZSA-N 1 3 323.437 0.775 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001130421894 763296213 /nfs/dbraw/zinc/29/62/13/763296213.db2.gz NPDPNOAXSVZNCR-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001130421894 763296220 /nfs/dbraw/zinc/29/62/20/763296220.db2.gz NPDPNOAXSVZNCR-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001130450207 763309318 /nfs/dbraw/zinc/30/93/18/763309318.db2.gz MBIVUMYSELFNLO-ZDUSSCGKSA-N 1 3 323.441 0.148 20 0 DCADHO CC(C)N(C)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130450207 763309328 /nfs/dbraw/zinc/30/93/28/763309328.db2.gz MBIVUMYSELFNLO-ZDUSSCGKSA-N 1 3 323.441 0.148 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130622657 763404701 /nfs/dbraw/zinc/40/47/01/763404701.db2.gz SUZBXPXUFNZNBF-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130622657 763404714 /nfs/dbraw/zinc/40/47/14/763404714.db2.gz SUZBXPXUFNZNBF-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O)N1CCCC1 ZINC001090490032 763431351 /nfs/dbraw/zinc/43/13/51/763431351.db2.gz QFXVFWKGPFCCIM-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O)N1CCCC1 ZINC001090490032 763431355 /nfs/dbraw/zinc/43/13/55/763431355.db2.gz QFXVFWKGPFCCIM-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO O=C(NCC[NH2+]Cc1ccsc1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521812 763846670 /nfs/dbraw/zinc/84/66/70/763846670.db2.gz IEBJJVPDIOVWLL-NPCAHTBFSA-N 1 3 321.446 0.817 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCCF)CC1 ZINC001131564934 763869064 /nfs/dbraw/zinc/86/90/64/763869064.db2.gz YHVLSDCYDNLLRY-ZBFHGGJFSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@H](Nc1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1)[C@H]1CNCCO1 ZINC001170576491 763927223 /nfs/dbraw/zinc/92/72/23/763927223.db2.gz VQLJYUQZKOXTPW-OUCADQQQSA-N 1 3 316.409 0.595 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790878 764013781 /nfs/dbraw/zinc/01/37/81/764013781.db2.gz XISXZHOKEPBZDM-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCCO)C[C@@]3(C)C2)C1 ZINC001092012993 768182966 /nfs/dbraw/zinc/18/29/66/768182966.db2.gz FYNAMORSTNHSSQ-UXLLHSPISA-N 1 3 309.454 0.491 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCCO)C[C@@]3(C)C2)C1 ZINC001092012993 768182971 /nfs/dbraw/zinc/18/29/71/768182971.db2.gz FYNAMORSTNHSSQ-UXLLHSPISA-N 1 3 309.454 0.491 20 0 DCADHO CC[C@H](NCCNC(=O)c1ccccc1CC[NH+](C)C)C(N)=O ZINC001131801599 764035869 /nfs/dbraw/zinc/03/58/69/764035869.db2.gz KXXLZARDPVYXPC-HNNXBMFYSA-N 1 3 320.437 0.374 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCc1ccnn1C ZINC001132279477 764360718 /nfs/dbraw/zinc/36/07/18/764360718.db2.gz XLQWYHBJSSJAQN-HUUCEWRRSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C)N(C)C ZINC001102087109 764522775 /nfs/dbraw/zinc/52/27/75/764522775.db2.gz LYISYNWSJSTPHV-BZUAXINKSA-N 1 3 321.469 0.907 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C)N(C)C ZINC001102087109 764522781 /nfs/dbraw/zinc/52/27/81/764522781.db2.gz LYISYNWSJSTPHV-BZUAXINKSA-N 1 3 321.469 0.907 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294133 764581376 /nfs/dbraw/zinc/58/13/76/764581376.db2.gz LDAJPTFYFRHQQI-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001132737786 764614785 /nfs/dbraw/zinc/61/47/85/764614785.db2.gz QBGSQLATELUKSS-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001132737786 764614791 /nfs/dbraw/zinc/61/47/91/764614791.db2.gz QBGSQLATELUKSS-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001102524657 764679054 /nfs/dbraw/zinc/67/90/54/764679054.db2.gz PPAVWCIIHWRAMR-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001102524657 764679061 /nfs/dbraw/zinc/67/90/61/764679061.db2.gz PPAVWCIIHWRAMR-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601079 764719708 /nfs/dbraw/zinc/71/97/08/764719708.db2.gz JISOTVDZJPFGHG-MGPQQGTHSA-N 1 3 312.458 0.275 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601079 764719712 /nfs/dbraw/zinc/71/97/12/764719712.db2.gz JISOTVDZJPFGHG-MGPQQGTHSA-N 1 3 312.458 0.275 20 0 DCADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N1CCCCC1 ZINC001132995180 764782956 /nfs/dbraw/zinc/78/29/56/764782956.db2.gz NIBWRTFGMIPCQU-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001132995302 764784318 /nfs/dbraw/zinc/78/43/18/764784318.db2.gz QWUIVBBHHUNKPT-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051275 764803114 /nfs/dbraw/zinc/80/31/14/764803114.db2.gz CAUPINRVZCTOLP-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)N1CCCCC1 ZINC001133051965 764804641 /nfs/dbraw/zinc/80/46/41/764804641.db2.gz WPWFCVLGNKANSP-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[NH+]1CCC(C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001133281938 764901078 /nfs/dbraw/zinc/90/10/78/764901078.db2.gz UIHACAIRTVCWCU-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)c1cccc(CNCCNC(=O)CC[NH+](C)C)c1 ZINC001133300091 764913976 /nfs/dbraw/zinc/91/39/76/764913976.db2.gz KEJJXEICJDUYAP-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083792 764937857 /nfs/dbraw/zinc/93/78/57/764937857.db2.gz JPSYBIVDRQJVIT-QLFBSQMISA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083792 764937865 /nfs/dbraw/zinc/93/78/65/764937865.db2.gz JPSYBIVDRQJVIT-QLFBSQMISA-N 1 3 311.470 0.926 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415926 764957088 /nfs/dbraw/zinc/95/70/88/764957088.db2.gz VIOLSWPWTMYFKY-CQSZACIVSA-N 1 3 314.474 0.583 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133433780 764966959 /nfs/dbraw/zinc/96/69/59/764966959.db2.gz BNCPYMCRWHEXOZ-ZIAGYGMSSA-N 1 3 314.474 0.583 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434015 764967935 /nfs/dbraw/zinc/96/79/35/764967935.db2.gz HKDOKHHQYMENNI-UKRRQHHQSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)N1CCCC1)[NH+](CC)CC ZINC001133685619 765093269 /nfs/dbraw/zinc/09/32/69/765093269.db2.gz XSIJBPKDHQPWQK-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](C(=O)NCCN[C@H](C)C(=O)NC1CC1)[NH+](CC)CC ZINC001133690459 765095956 /nfs/dbraw/zinc/09/59/56/765095956.db2.gz MDZUDFJBEQRYPF-TZMCWYRMSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001103663700 765103176 /nfs/dbraw/zinc/10/31/76/765103176.db2.gz PBDPSINSGCTTKF-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001103663700 765103185 /nfs/dbraw/zinc/10/31/85/765103185.db2.gz PBDPSINSGCTTKF-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001133830985 765160760 /nfs/dbraw/zinc/16/07/60/765160760.db2.gz FHJVFUZZTKVZFZ-CYBMUJFWSA-N 1 3 306.410 0.075 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC001133851016 765170181 /nfs/dbraw/zinc/17/01/81/765170181.db2.gz UXVAOZDRHLCQFA-BBRMVZONSA-N 1 3 323.412 0.907 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001133845285 765178014 /nfs/dbraw/zinc/17/80/14/765178014.db2.gz ALTSCWLRCQAWFE-MNOVXSKESA-N 1 3 311.348 0.347 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(=O)NC1CC1 ZINC001133908354 765221650 /nfs/dbraw/zinc/22/16/50/765221650.db2.gz NTNYCUKRLJDSJX-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCCCCn1cncn1)N(C)C ZINC001133965784 765258681 /nfs/dbraw/zinc/25/86/81/765258681.db2.gz JWPXQLKLAFAJME-AWEZNQCLSA-N 1 3 310.446 0.494 20 0 DCADHO O=C(N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001115123180 765598276 /nfs/dbraw/zinc/59/82/76/765598276.db2.gz LCVXNZDNFBOHMI-ZSHCYNCHSA-N 1 3 319.449 0.555 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)N1CCCCCC1 ZINC001124866682 768317380 /nfs/dbraw/zinc/31/73/80/768317380.db2.gz IWPJKUHAYUYMFQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)CCCCC(N)=O)CC2)CC1 ZINC001116681913 765896763 /nfs/dbraw/zinc/89/67/63/765896763.db2.gz BLDJITKMIVDZRN-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO COc1ccc(CN[C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)nn1 ZINC001135372824 765908031 /nfs/dbraw/zinc/90/80/31/765908031.db2.gz SZDDTSAHPYBWIA-STQMWFEESA-N 1 3 323.441 0.810 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC001135508686 765953486 /nfs/dbraw/zinc/95/34/86/765953486.db2.gz VZNBQHYCBJXISP-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001135513519 765967291 /nfs/dbraw/zinc/96/72/91/765967291.db2.gz QNBKNPPHSFIXDP-AWEZNQCLSA-N 1 3 301.431 0.230 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001135513477 765967534 /nfs/dbraw/zinc/96/75/34/765967534.db2.gz PFYPIZGOSXFILN-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001135975936 766197807 /nfs/dbraw/zinc/19/78/07/766197807.db2.gz FNGSUECASCPGJI-QWHCGFSZSA-N 1 3 300.447 0.289 20 0 DCADHO NC(=O)c1ccc(C(F)(F)N[C@@H](N)CCC[NH3+])nc1Cl ZINC001159779298 766265668 /nfs/dbraw/zinc/26/56/68/766265668.db2.gz FALITVOBOLFZTD-MRVPVSSYSA-N 1 3 307.732 0.497 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001092658154 768363481 /nfs/dbraw/zinc/36/34/81/768363481.db2.gz JVPVHXDWTKUDEC-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001092658154 768363488 /nfs/dbraw/zinc/36/34/88/768363488.db2.gz JVPVHXDWTKUDEC-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001161232820 766312324 /nfs/dbraw/zinc/31/23/24/766312324.db2.gz KLLKAPCLIRMGPM-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160433268 766707764 /nfs/dbraw/zinc/70/77/64/766707764.db2.gz KBQKMKFAHPKLMO-KGLIPLIRSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446250 769560694 /nfs/dbraw/zinc/56/06/94/769560694.db2.gz VQLTZQRIZJVLAY-CYBMUJFWSA-N 1 3 300.447 0.193 20 0 DCADHO C[C@@H](NCCCNC(=O)COCC[NH+](C)C)c1cnccn1 ZINC001171204950 767003985 /nfs/dbraw/zinc/00/39/85/767003985.db2.gz JIFBUNZNRCFFRN-CYBMUJFWSA-N 1 3 309.414 0.212 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001091378424 767258331 /nfs/dbraw/zinc/25/83/31/767258331.db2.gz NUSXZPLVOXSQLS-UHFFFAOYSA-N 1 3 305.422 0.839 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)c1ccccc1CN(C)C)[NH2+]CC(N)=O ZINC001146581478 767483619 /nfs/dbraw/zinc/48/36/19/767483619.db2.gz CDOHSHXWLNMKKO-OLZOCXBDSA-N 1 3 320.437 0.720 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001149123544 767637756 /nfs/dbraw/zinc/63/77/56/767637756.db2.gz LLIXKYUGYCXXGL-SECBINFHSA-N 1 3 308.304 0.280 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC001121767324 767633848 /nfs/dbraw/zinc/63/38/48/767633848.db2.gz AZBRPBCNWGUJDW-VZHDMLGISA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](C)O1 ZINC001121987907 767690698 /nfs/dbraw/zinc/69/06/98/767690698.db2.gz DYWTURGNOMIEFJ-DGADGQDISA-N 1 3 309.454 0.848 20 0 DCADHO COc1ncccc1CNCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303689 767743773 /nfs/dbraw/zinc/74/37/73/767743773.db2.gz WRGZPRYXNUBYNH-UHFFFAOYSA-N 1 3 318.421 0.782 20 0 DCADHO CC(C)[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838713 768401974 /nfs/dbraw/zinc/40/19/74/768401974.db2.gz SYJHLUHHTVGPFO-MYPHYYIGSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838713 768401979 /nfs/dbraw/zinc/40/19/79/768401979.db2.gz SYJHLUHHTVGPFO-MYPHYYIGSA-N 1 3 321.465 0.942 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203103252 768572017 /nfs/dbraw/zinc/57/20/17/768572017.db2.gz KRSGKMLPUMWHOH-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1C[N@H+](CC)CCCO1 ZINC001149803660 768863429 /nfs/dbraw/zinc/86/34/29/768863429.db2.gz BZRBTGZSXKNTHM-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1C[N@@H+](CC)CCCO1 ZINC001149803660 768863439 /nfs/dbraw/zinc/86/34/39/768863439.db2.gz BZRBTGZSXKNTHM-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCF)CCCO1)N(C)C ZINC001150350556 769072647 /nfs/dbraw/zinc/07/26/47/769072647.db2.gz LKMNFJCOGWKUBJ-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1)N(C)C ZINC001150350556 769072660 /nfs/dbraw/zinc/07/26/60/769072660.db2.gz LKMNFJCOGWKUBJ-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCOC)CCCO1 ZINC001150469074 769104620 /nfs/dbraw/zinc/10/46/20/769104620.db2.gz BMECUVCUKMJRGM-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCOC)CCCO1 ZINC001150469074 769104621 /nfs/dbraw/zinc/10/46/21/769104621.db2.gz BMECUVCUKMJRGM-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)COC)CCCO1 ZINC001150469569 769104682 /nfs/dbraw/zinc/10/46/82/769104682.db2.gz HPKGDQOHLIBXAT-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)COC)CCCO1 ZINC001150469569 769104686 /nfs/dbraw/zinc/10/46/86/769104686.db2.gz HPKGDQOHLIBXAT-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO C[NH+]1CCN(c2ccc(CN3CC[C@H](F)[C@H](O)C3)cn2)CC1 ZINC001232361579 769310329 /nfs/dbraw/zinc/31/03/29/769310329.db2.gz ZOKXCMZXAOIHEU-LSDHHAIUSA-N 1 3 308.401 0.738 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001171758249 769368056 /nfs/dbraw/zinc/36/80/56/769368056.db2.gz UXGXQGQMBRNGLH-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001171763361 769370026 /nfs/dbraw/zinc/37/00/26/769370026.db2.gz ZYXFFDMVRVPEQT-CQSZACIVSA-N 1 3 312.458 0.340 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCCCCn1cncn1 ZINC001171770378 769373430 /nfs/dbraw/zinc/37/34/30/769373430.db2.gz PEVJKHGFAXHNIH-UHFFFAOYSA-N 1 3 324.473 0.886 20 0 DCADHO Cn1ccnc1CNCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206145881 769377879 /nfs/dbraw/zinc/37/78/79/769377879.db2.gz HMMKBWGUYZNGLF-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO CS(=O)(=O)N1CCC(CN2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001206156402 769426673 /nfs/dbraw/zinc/42/66/73/769426673.db2.gz QMYXEVGILQZYLG-OLZOCXBDSA-N 1 3 307.435 0.419 20 0 DCADHO C[NH+](C)CCN1CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CCC1=O ZINC001172180750 769455699 /nfs/dbraw/zinc/45/56/99/769455699.db2.gz UZIPEBZDIFXFOP-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCN1CC[N@@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)CCC1=O ZINC001172180750 769455703 /nfs/dbraw/zinc/45/57/03/769455703.db2.gz UZIPEBZDIFXFOP-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCN1CC[N@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)CCC1=O ZINC001172180750 769455708 /nfs/dbraw/zinc/45/57/08/769455708.db2.gz UZIPEBZDIFXFOP-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001152136852 769488414 /nfs/dbraw/zinc/48/84/14/769488414.db2.gz GYADVAURXOUXTR-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152148499 769491970 /nfs/dbraw/zinc/49/19/70/769491970.db2.gz QRHJNBJLLFCTRD-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393183 769545829 /nfs/dbraw/zinc/54/58/29/769545829.db2.gz GDMAONYNBIZQAT-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446274 769559337 /nfs/dbraw/zinc/55/93/37/769559337.db2.gz WBCNWFLSHRLZIO-STQMWFEESA-N 1 3 300.447 0.336 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCCN2CC)C1=O ZINC001152457368 769564601 /nfs/dbraw/zinc/56/46/01/769564601.db2.gz CQAMKBRZFVPDHB-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001152458199 769565313 /nfs/dbraw/zinc/56/53/13/769565313.db2.gz MQWYQFNKHLNLOK-HNNXBMFYSA-N 1 3 307.442 0.543 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001152459003 769567085 /nfs/dbraw/zinc/56/70/85/769567085.db2.gz WOWKVQIQWWRWGG-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CC[NH+](CCN(C)C)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761270 769713416 /nfs/dbraw/zinc/71/34/16/769713416.db2.gz SKIBTSJDAVFUSW-LSDHHAIUSA-N 1 3 309.462 0.582 20 0 DCADHO CN(C)CC[NH+](CCN(C)C)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173761255 769713991 /nfs/dbraw/zinc/71/39/91/769713991.db2.gz SKIBTSJDAVFUSW-CABCVRRESA-N 1 3 309.462 0.582 20 0 DCADHO Cn1cc(C(=O)N[C@H]2CN(CCCC[NH3+])[C@@H]3CCCO[C@@H]32)cn1 ZINC001235649503 769922152 /nfs/dbraw/zinc/92/21/52/769922152.db2.gz OZQNXHLGISQHCI-RRFJBIMHSA-N 1 3 321.425 0.121 20 0 DCADHO C[C@@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC001235660225 769927823 /nfs/dbraw/zinc/92/78/23/769927823.db2.gz LCYMSPLVKCDUED-UKTARXLSSA-N 1 3 307.394 0.694 20 0 DCADHO C[C@@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC001235660225 769927829 /nfs/dbraw/zinc/92/78/29/769927829.db2.gz LCYMSPLVKCDUED-UKTARXLSSA-N 1 3 307.394 0.694 20 0 DCADHO NCCS(=O)(=O)Nc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC001237565078 770053525 /nfs/dbraw/zinc/05/35/25/770053525.db2.gz LYDCDPZVUHOUGG-UHFFFAOYSA-N 1 3 314.411 0.160 20 0 DCADHO Cc1nnc(CNCCCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001176563324 770125688 /nfs/dbraw/zinc/12/56/88/770125688.db2.gz CKLLSVRVWIDNSY-OCCSQVGLSA-N 1 3 322.457 0.829 20 0 DCADHO Cc1nnc(CNCCCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001176563324 770125693 /nfs/dbraw/zinc/12/56/93/770125693.db2.gz CKLLSVRVWIDNSY-OCCSQVGLSA-N 1 3 322.457 0.829 20 0 DCADHO C[C@@H](CCCCNCc1cn(C)nn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563184 770126148 /nfs/dbraw/zinc/12/61/48/770126148.db2.gz CALMYJSFXMAAFM-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H](CCCCNCc1cn(C)nn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563184 770126155 /nfs/dbraw/zinc/12/61/55/770126155.db2.gz CALMYJSFXMAAFM-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CCn1cncn1 ZINC001176759871 770168160 /nfs/dbraw/zinc/16/81/60/770168160.db2.gz NEZBJAOMQKDSLZ-OAHLLOKOSA-N 1 3 324.473 0.883 20 0 DCADHO [NH3+]C[C@]1(O)CCCN(C(=S)NCCN2CCCCC2)CC1 ZINC001239406262 770217685 /nfs/dbraw/zinc/21/76/85/770217685.db2.gz NOEIXARCQAQSBJ-HNNXBMFYSA-N 1 3 314.499 0.523 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCOC[C@H]1CCCO1 ZINC001176975720 770265997 /nfs/dbraw/zinc/26/59/97/770265997.db2.gz VQPCMKAQTHPMNL-OAHLLOKOSA-N 1 3 315.458 0.618 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001176987027 770274731 /nfs/dbraw/zinc/27/47/31/770274731.db2.gz ZRVHFIDUSANNHT-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001176992212 770282433 /nfs/dbraw/zinc/28/24/33/770282433.db2.gz JOFSAKGNVKUJQP-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226059 770439555 /nfs/dbraw/zinc/43/95/55/770439555.db2.gz GBKQHKGMIMIGHZ-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226059 770439562 /nfs/dbraw/zinc/43/95/62/770439562.db2.gz GBKQHKGMIMIGHZ-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475419 770829621 /nfs/dbraw/zinc/82/96/21/770829621.db2.gz DUUDSRCQDWBSBD-OAHLLOKOSA-N 1 3 324.473 0.837 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178689762 770834876 /nfs/dbraw/zinc/83/48/76/770834876.db2.gz XZEQPZVXDZMKAP-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689762 770834889 /nfs/dbraw/zinc/83/48/89/770834889.db2.gz XZEQPZVXDZMKAP-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CC(=O)NC ZINC001178854010 770883849 /nfs/dbraw/zinc/88/38/49/770883849.db2.gz SUYVLBTUBSTLJA-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878811 770888277 /nfs/dbraw/zinc/88/82/77/770888277.db2.gz ZRMLLZQTFODEAD-ZNMIVQPWSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878811 770888287 /nfs/dbraw/zinc/88/82/87/770888287.db2.gz ZRMLLZQTFODEAD-ZNMIVQPWSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409427 771007220 /nfs/dbraw/zinc/00/72/20/771007220.db2.gz LMDACQNIERFFJR-AICCOOGYSA-N 1 3 324.469 0.430 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409427 771007227 /nfs/dbraw/zinc/00/72/27/771007227.db2.gz LMDACQNIERFFJR-AICCOOGYSA-N 1 3 324.469 0.430 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCOCCOC)[C@@H]1C ZINC001179762919 771013087 /nfs/dbraw/zinc/01/30/87/771013087.db2.gz BEBRBRSVOMEMHQ-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001179925817 771035010 /nfs/dbraw/zinc/03/50/10/771035010.db2.gz UXKQTCIMCHGYGP-GUTXKFCHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001179925817 771035014 /nfs/dbraw/zinc/03/50/14/771035014.db2.gz UXKQTCIMCHGYGP-GUTXKFCHSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001180222284 771076104 /nfs/dbraw/zinc/07/61/04/771076104.db2.gz MPUIANMSXGTPCL-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C ZINC001180226930 771077861 /nfs/dbraw/zinc/07/78/61/771077861.db2.gz UHYSUVXVLDONGS-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nnc(CNCCCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001180265453 771089786 /nfs/dbraw/zinc/08/97/86/771089786.db2.gz SCBWKXHEYIZZTN-AWEZNQCLSA-N 1 3 322.457 0.831 20 0 DCADHO Cc1nnc(CNCCCCCCNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001180265453 771089790 /nfs/dbraw/zinc/08/97/90/771089790.db2.gz SCBWKXHEYIZZTN-AWEZNQCLSA-N 1 3 322.457 0.831 20 0 DCADHO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001181746858 771340987 /nfs/dbraw/zinc/34/09/87/771340987.db2.gz XVXYRQPOWDZYAT-DVOMOZLQSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001182614650 771522329 /nfs/dbraw/zinc/52/23/29/771522329.db2.gz LYSUVJRBNZZYQL-XJKCOSOUSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182677242 771526960 /nfs/dbraw/zinc/52/69/60/771526960.db2.gz XYAQZCLXGABRDK-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182677242 771526965 /nfs/dbraw/zinc/52/69/65/771526965.db2.gz XYAQZCLXGABRDK-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO O=C(NCc1cc2n(n1)CCCO2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157082125 771529391 /nfs/dbraw/zinc/52/93/91/771529391.db2.gz IQOVGYQKKNGFHR-CYBMUJFWSA-N 1 3 319.409 0.156 20 0 DCADHO O=C(NCc1cc2n(n1)CCCO2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157082125 771529397 /nfs/dbraw/zinc/52/93/97/771529397.db2.gz IQOVGYQKKNGFHR-CYBMUJFWSA-N 1 3 319.409 0.156 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001182924010 771571483 /nfs/dbraw/zinc/57/14/83/771571483.db2.gz CPTAQWLFBOOQKZ-CZUORRHYSA-N 1 3 312.458 0.148 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1csc2c1CCNC2 ZINC001157355525 771594772 /nfs/dbraw/zinc/59/47/72/771594772.db2.gz STVZTFIIYDRGBP-LBPRGKRZSA-N 1 3 324.450 0.367 20 0 DCADHO [NH3+][C@H]1CN(C(=O)C2CCN(Cc3ccccn3)CC2)C[C@H]1F ZINC001157533140 771626717 /nfs/dbraw/zinc/62/67/17/771626717.db2.gz ZFEWJCTZUWQKIK-CABCVRRESA-N 1 3 306.385 0.801 20 0 DCADHO CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157536438 771627597 /nfs/dbraw/zinc/62/75/97/771627597.db2.gz MMKXWZNKWRSTAW-AXFHLTTASA-N 1 3 303.378 0.333 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288318 771637571 /nfs/dbraw/zinc/63/75/71/771637571.db2.gz CSMQDXBNKVXZBV-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183389119 771642822 /nfs/dbraw/zinc/64/28/22/771642822.db2.gz AAYZCCSJTKLGQH-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183389119 771642826 /nfs/dbraw/zinc/64/28/26/771642826.db2.gz AAYZCCSJTKLGQH-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)c1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC001157721258 771658694 /nfs/dbraw/zinc/65/86/94/771658694.db2.gz WEXMIKOQFJFKFJ-CVEARBPZSA-N 1 3 319.405 0.488 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(F)(F)CC[C@@H]1CO ZINC001157731039 771660213 /nfs/dbraw/zinc/66/02/13/771660213.db2.gz UTWTZLXLFPGJKH-NEPJUHHUSA-N 1 3 317.380 0.479 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC(F)(F)CC[C@@H]1CO ZINC001157731039 771660215 /nfs/dbraw/zinc/66/02/15/771660215.db2.gz UTWTZLXLFPGJKH-NEPJUHHUSA-N 1 3 317.380 0.479 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001183581116 771669903 /nfs/dbraw/zinc/66/99/03/771669903.db2.gz DRCNMDPBRCEQQP-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935155 771696887 /nfs/dbraw/zinc/69/68/87/771696887.db2.gz SIFVBDBLRKPRCP-ZFWWWQNUSA-N 1 3 303.422 0.759 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001183772627 771699544 /nfs/dbraw/zinc/69/95/44/771699544.db2.gz JAXMUYLCXBXSCA-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001183772627 771699546 /nfs/dbraw/zinc/69/95/46/771699546.db2.gz JAXMUYLCXBXSCA-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO [NH3+][C@@H]1CCc2nn(-c3nc(Cl)nc4c3CNCC4)cc2C1 ZINC001157979450 771706013 /nfs/dbraw/zinc/70/60/13/771706013.db2.gz FOGMCEOLKPAOMU-SECBINFHSA-N 1 3 304.785 0.777 20 0 DCADHO C[C@H](NCCCNC(=O)[C@H]1C[NH+]2CCC1CC2)c1cnccn1 ZINC001158196837 771739191 /nfs/dbraw/zinc/73/91/91/771739191.db2.gz ORRNYKNBGVSOIC-ZFWWWQNUSA-N 1 3 317.437 0.975 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001158196781 771739217 /nfs/dbraw/zinc/73/92/17/771739217.db2.gz NPZHMTJUEBPWIF-HNNXBMFYSA-N 1 3 306.410 0.921 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001158199186 771739648 /nfs/dbraw/zinc/73/96/48/771739648.db2.gz OWNOSTNNWHEKDV-HRCADAONSA-N 1 3 303.406 0.918 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1(CCOC)CCN(CCO)CC1 ZINC001151387849 771747635 /nfs/dbraw/zinc/74/76/35/771747635.db2.gz RWEYWEKKFYDTAY-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1(CCOC)CCN(CCO)CC1 ZINC001151387849 771747638 /nfs/dbraw/zinc/74/76/38/771747638.db2.gz RWEYWEKKFYDTAY-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184806809 771824097 /nfs/dbraw/zinc/82/40/97/771824097.db2.gz GNFWBFWDKVNJCE-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185205069 771878708 /nfs/dbraw/zinc/87/87/08/771878708.db2.gz MFLWDZLUXWSIFG-OLZOCXBDSA-N 1 3 321.425 0.163 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)CC1 ZINC001185212787 771879525 /nfs/dbraw/zinc/87/95/25/771879525.db2.gz CYEIRXFLFNKBNN-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1cccc(N(C(=O)[C@@H](N)CN)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159340684 771899267 /nfs/dbraw/zinc/89/92/67/771899267.db2.gz XKOJRLQTEQNRQC-ZOBUZTSGSA-N 1 3 318.421 0.135 20 0 DCADHO CC(C)CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400596 771911918 /nfs/dbraw/zinc/91/19/18/771911918.db2.gz DYUTWSRPBRFSMY-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185401423 771912007 /nfs/dbraw/zinc/91/20/07/771912007.db2.gz PYNIOZGFMZEHPU-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](Nc1ccc(OCC2CC[NH2+]CC2)nn1)[C@H]1CNCCO1 ZINC001159501095 771920430 /nfs/dbraw/zinc/92/04/30/771920430.db2.gz GZDGIWZWQUSZLY-TZMCWYRMSA-N 1 3 321.425 0.644 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854644 771968261 /nfs/dbraw/zinc/96/82/61/771968261.db2.gz POCUNBZBSCITND-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001159854761 771968400 /nfs/dbraw/zinc/96/84/00/771968400.db2.gz SKRNZTZSUBJGFC-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932792 771980339 /nfs/dbraw/zinc/98/03/39/771980339.db2.gz VKFUVKFTMLOBRB-OAHLLOKOSA-N 1 3 312.458 0.195 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186496547 772046304 /nfs/dbraw/zinc/04/63/04/772046304.db2.gz KOJOEDHCNFOQHD-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001160548451 772062710 /nfs/dbraw/zinc/06/27/10/772062710.db2.gz GFWPDSGROLISMN-JTQLQIEISA-N 1 3 309.332 0.813 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2nc(C3CC3)ncc2C1 ZINC001160835464 772118786 /nfs/dbraw/zinc/11/87/86/772118786.db2.gz YIOKYCUADVUQQK-ZDUSSCGKSA-N 1 3 313.405 0.048 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106937 772131528 /nfs/dbraw/zinc/13/15/28/772131528.db2.gz RIIBRPOOEPOSCN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106937 772131531 /nfs/dbraw/zinc/13/15/31/772131531.db2.gz RIIBRPOOEPOSCN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001160883416 772132015 /nfs/dbraw/zinc/13/20/15/772132015.db2.gz MNJYVFKYTBGSLA-WDEREUQCSA-N 1 3 313.364 0.736 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001160889648 772132990 /nfs/dbraw/zinc/13/29/90/772132990.db2.gz NLAHNJIMIXZZSF-UONOGXRCSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001160890055 772133920 /nfs/dbraw/zinc/13/39/20/772133920.db2.gz TXTZMKWHRXCISW-CYBMUJFWSA-N 1 3 315.849 0.973 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971530 772144858 /nfs/dbraw/zinc/14/48/58/772144858.db2.gz IKXCDMCGWDQYSN-ZJUUUORDSA-N 1 3 321.368 0.501 20 0 DCADHO COC(=O)c1ccc(C2CN(C(=O)[C@H](N)CCC[NH3+])C2)cc1 ZINC001161221998 772186419 /nfs/dbraw/zinc/18/64/19/772186419.db2.gz SCLADKHJZZIYJL-CQSZACIVSA-N 1 3 305.378 0.465 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCCNCc1ccc(OC)nn1 ZINC001161251357 772190928 /nfs/dbraw/zinc/19/09/28/772190928.db2.gz QEPTUKSWFSRMQH-UHFFFAOYSA-N 1 3 323.441 0.811 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCCNCc1ccc(OC)nn1 ZINC001161251357 772190931 /nfs/dbraw/zinc/19/09/31/772190931.db2.gz QEPTUKSWFSRMQH-UHFFFAOYSA-N 1 3 323.441 0.811 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161251030 772191124 /nfs/dbraw/zinc/19/11/24/772191124.db2.gz JELJBCYOGMYVFZ-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001187818380 772229223 /nfs/dbraw/zinc/22/92/23/772229223.db2.gz OFZRUTPRRSEWDQ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001187818380 772229225 /nfs/dbraw/zinc/22/92/25/772229225.db2.gz OFZRUTPRRSEWDQ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1CCCCC1)CC2 ZINC001161478141 772230791 /nfs/dbraw/zinc/23/07/91/772230791.db2.gz KVSVODFITAOLMO-KEYYUXOJSA-N 1 3 323.437 0.648 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835423 772231910 /nfs/dbraw/zinc/23/19/10/772231910.db2.gz XICULUXMLVDFDL-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835422 772232267 /nfs/dbraw/zinc/23/22/67/772232267.db2.gz XICULUXMLVDFDL-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCOCC(F)(F)F)C1 ZINC001187835173 772232339 /nfs/dbraw/zinc/23/23/39/772232339.db2.gz PIKVUUROCHCRGL-GFCCVEGCSA-N 1 3 323.359 0.852 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001187841508 772232889 /nfs/dbraw/zinc/23/28/89/772232889.db2.gz CUHVZWDYVXLBKJ-GFCCVEGCSA-N 1 3 305.369 0.554 20 0 DCADHO CCOC(=O)C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C[C@@H]1C ZINC001161499570 772235512 /nfs/dbraw/zinc/23/55/12/772235512.db2.gz LFVSXNYKRAPNLI-IHRRRGAJSA-N 1 3 323.437 0.233 20 0 DCADHO COc1c(NCCCN2CCN(C)CC2)ncnc1C1C[NH2+]C1 ZINC001161706130 772269213 /nfs/dbraw/zinc/26/92/13/772269213.db2.gz SYJPTBVQXNETKF-UHFFFAOYSA-N 1 3 320.441 0.221 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675374 772663093 /nfs/dbraw/zinc/66/30/93/772663093.db2.gz LQXCMPYXRMUADA-LSDHHAIUSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675374 772663096 /nfs/dbraw/zinc/66/30/96/772663096.db2.gz LQXCMPYXRMUADA-LSDHHAIUSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190775268 772677250 /nfs/dbraw/zinc/67/72/50/772677250.db2.gz FNQVBTLSRUEXIZ-ILXRZTDVSA-N 1 3 315.458 0.113 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190775268 772677253 /nfs/dbraw/zinc/67/72/53/772677253.db2.gz FNQVBTLSRUEXIZ-ILXRZTDVSA-N 1 3 315.458 0.113 20 0 DCADHO CC(C)COCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123036 772685405 /nfs/dbraw/zinc/68/54/05/772685405.db2.gz IKMHFJGXKIALBN-ZSHCYNCHSA-N 1 3 321.465 0.801 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001165484749 772742276 /nfs/dbraw/zinc/74/22/76/772742276.db2.gz IJIMBSDNNQEPPD-ZIAGYGMSSA-N 1 3 324.469 0.467 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC001165485539 772742814 /nfs/dbraw/zinc/74/28/14/772742814.db2.gz YPHZXTIJNXFZST-UONOGXRCSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001166627189 772831031 /nfs/dbraw/zinc/83/10/31/772831031.db2.gz RSULTJRJCKHPLA-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001166627439 772831524 /nfs/dbraw/zinc/83/15/24/772831524.db2.gz VTWHIHZPNWFYLY-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678858 772839324 /nfs/dbraw/zinc/83/93/24/772839324.db2.gz WXCJVIDECRZMGU-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001166677960 772839731 /nfs/dbraw/zinc/83/97/31/772839731.db2.gz REDUNLHYQNTIEL-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO COCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166686683 772840158 /nfs/dbraw/zinc/84/01/58/772840158.db2.gz COXCRBKFYGMMOX-HNNXBMFYSA-N 1 3 303.422 0.941 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203514431 772910267 /nfs/dbraw/zinc/91/02/67/772910267.db2.gz KZDFDQJSSNNYFG-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001192948950 772977113 /nfs/dbraw/zinc/97/71/13/772977113.db2.gz YXQSJHWRKVEUOM-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001192948950 772977115 /nfs/dbraw/zinc/97/71/15/772977115.db2.gz YXQSJHWRKVEUOM-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001205515994 772997693 /nfs/dbraw/zinc/99/76/93/772997693.db2.gz JCPSJSTZXQXZBH-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001206275141 773061485 /nfs/dbraw/zinc/06/14/85/773061485.db2.gz OFPRFLDQOPRKPP-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001206301685 773064300 /nfs/dbraw/zinc/06/43/00/773064300.db2.gz ORGHKYVGJHKTLK-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001206302106 773064563 /nfs/dbraw/zinc/06/45/63/773064563.db2.gz SDNQGWGUQTXGKS-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO COCCOCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401322 773073264 /nfs/dbraw/zinc/07/32/64/773073264.db2.gz GFPWTXIOXSQDJA-UHFFFAOYSA-N 1 3 324.425 0.443 20 0 DCADHO C[C@H](O)CCC[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206403688 773074639 /nfs/dbraw/zinc/07/46/39/773074639.db2.gz RYXLVWNTYOTGDW-ZDUSSCGKSA-N 1 3 308.426 0.941 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC001193609423 773086194 /nfs/dbraw/zinc/08/61/94/773086194.db2.gz AJILHQXALHXZHE-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC001193609423 773086197 /nfs/dbraw/zinc/08/61/97/773086197.db2.gz AJILHQXALHXZHE-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001206890293 773121740 /nfs/dbraw/zinc/12/17/40/773121740.db2.gz KGLNGTJDVIKSKF-UHFFFAOYSA-N 1 3 315.458 0.165 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928870 773137489 /nfs/dbraw/zinc/13/74/89/773137489.db2.gz LUGRHKXJMXLHEB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014034 773372764 /nfs/dbraw/zinc/37/27/64/773372764.db2.gz LNVYFQSEMAHIEP-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014034 773372769 /nfs/dbraw/zinc/37/27/69/773372769.db2.gz LNVYFQSEMAHIEP-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO COCCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001209050469 773557200 /nfs/dbraw/zinc/55/72/00/773557200.db2.gz SIRHMHKCUKLFAF-UHFFFAOYSA-N 1 3 307.438 0.847 20 0 DCADHO COCCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001209050469 773557204 /nfs/dbraw/zinc/55/72/04/773557204.db2.gz SIRHMHKCUKLFAF-UHFFFAOYSA-N 1 3 307.438 0.847 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCC(=O)NC)C2)C1 ZINC001209206352 773569372 /nfs/dbraw/zinc/56/93/72/773569372.db2.gz ZXCXREPIFOBFDS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCC(=O)NC)C2)C1 ZINC001209206352 773569375 /nfs/dbraw/zinc/56/93/75/773569375.db2.gz ZXCXREPIFOBFDS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001209408689 773602972 /nfs/dbraw/zinc/60/29/72/773602972.db2.gz VPLSECZPSPYYIR-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445108 773605210 /nfs/dbraw/zinc/60/52/10/773605210.db2.gz KXJBFBNOZLEBNZ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CC[C@H](N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209444722 773605567 /nfs/dbraw/zinc/60/55/67/773605567.db2.gz IDHHRQUVHCGPPJ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001209633453 773627229 /nfs/dbraw/zinc/62/72/29/773627229.db2.gz VJCNDSGQSGATJR-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210481616 773710884 /nfs/dbraw/zinc/71/08/84/773710884.db2.gz COWSBWIZPQODLF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210481616 773710886 /nfs/dbraw/zinc/71/08/86/773710886.db2.gz COWSBWIZPQODLF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001210497835 773715262 /nfs/dbraw/zinc/71/52/62/773715262.db2.gz JUQHLSIAZCBZHZ-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001210497835 773715264 /nfs/dbraw/zinc/71/52/64/773715264.db2.gz JUQHLSIAZCBZHZ-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001210744608 773734547 /nfs/dbraw/zinc/73/45/47/773734547.db2.gz SIUFRNDSAHGMKU-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211241672 773785850 /nfs/dbraw/zinc/78/58/50/773785850.db2.gz WEARSHNDBDQEEF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001211284330 773789878 /nfs/dbraw/zinc/78/98/78/773789878.db2.gz LDOOZHVAZQQINS-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCOC(=O)[C@@H]1CNCCN1Cc1cc2c(s1)C[NH2+]CC2 ZINC001211362620 773795294 /nfs/dbraw/zinc/79/52/94/773795294.db2.gz NUKXQZMVAAEMCE-ZDUSSCGKSA-N 1 3 309.435 0.731 20 0 DCADHO CN1CCN(Cc2cccc(-c3noc([C@H](O)C[NH3+])n3)c2)CC1 ZINC001211417172 773801531 /nfs/dbraw/zinc/80/15/31/773801531.db2.gz ARACSUYDFVMVMK-CQSZACIVSA-N 1 3 317.393 0.476 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@H]1OC ZINC001213678362 773874786 /nfs/dbraw/zinc/87/47/86/773874786.db2.gz RCQWQTVOGXMFDF-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@H]1OC ZINC001213678362 773874789 /nfs/dbraw/zinc/87/47/89/773874789.db2.gz RCQWQTVOGXMFDF-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214598077 773999755 /nfs/dbraw/zinc/99/97/55/773999755.db2.gz UMNSOIFGEWJWPE-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214598077 773999762 /nfs/dbraw/zinc/99/97/62/773999762.db2.gz UMNSOIFGEWJWPE-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001216511580 774119782 /nfs/dbraw/zinc/11/97/82/774119782.db2.gz VCVHLPFRKCVAGL-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001216511580 774119784 /nfs/dbraw/zinc/11/97/84/774119784.db2.gz VCVHLPFRKCVAGL-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001216511766 774120686 /nfs/dbraw/zinc/12/06/86/774120686.db2.gz ZIMMMWHWNSBSDQ-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216751894 774133635 /nfs/dbraw/zinc/13/36/35/774133635.db2.gz BQQXZNZIJLLVLR-RBSFLKMASA-N 1 3 324.469 0.147 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216751894 774133638 /nfs/dbraw/zinc/13/36/38/774133638.db2.gz BQQXZNZIJLLVLR-RBSFLKMASA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001216830320 774140706 /nfs/dbraw/zinc/14/07/06/774140706.db2.gz OSKGXVMCVXEQLH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)C1=O ZINC001216851770 774143794 /nfs/dbraw/zinc/14/37/94/774143794.db2.gz HXBXTIDXHHCJBC-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001199826118 774219159 /nfs/dbraw/zinc/21/91/59/774219159.db2.gz GCEWXGUJVXYGAP-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218326240 774221233 /nfs/dbraw/zinc/22/12/33/774221233.db2.gz JUQYHHVMLZXHLL-UKTARXLSSA-N 1 3 319.405 0.337 20 0 DCADHO COC(=O)c1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cn1 ZINC001218509782 774232028 /nfs/dbraw/zinc/23/20/28/774232028.db2.gz OVVCUTHLDBVDSH-LBPRGKRZSA-N 1 3 308.382 0.866 20 0 DCADHO O=C(Nc1ccc(Br)nc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218538150 774241058 /nfs/dbraw/zinc/24/10/58/774241058.db2.gz IFWUQZORYLIDHN-VIFPVBQESA-N 1 3 311.183 0.592 20 0 DCADHO N[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)C1CC[NH2+]CC1 ZINC001218552119 774244663 /nfs/dbraw/zinc/24/46/63/774244663.db2.gz YLLAIEQYWGJXDI-HNNXBMFYSA-N 1 3 319.409 0.184 20 0 DCADHO COC(=O)c1cncc(NC(=O)[C@@H](N)CCCC[NH+](C)C)n1 ZINC001218579400 774254618 /nfs/dbraw/zinc/25/46/18/774254618.db2.gz DXSOAGQFBVNRIF-JTQLQIEISA-N 1 3 309.370 0.261 20 0 DCADHO COc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218617344 774264751 /nfs/dbraw/zinc/26/47/51/774264751.db2.gz FCMNEJYJPXTHDQ-RQJHMYQMSA-N 1 3 315.171 0.480 20 0 DCADHO Cc1cc(C)n2nc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2n1 ZINC001218628529 774267837 /nfs/dbraw/zinc/26/78/37/774267837.db2.gz NUIXFFWWKNLSQE-LLVKDONJSA-N 1 3 300.366 0.094 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001218642870 774271235 /nfs/dbraw/zinc/27/12/35/774271235.db2.gz FHHGZCSFOONYKL-ZJUUUORDSA-N 1 3 319.369 0.140 20 0 DCADHO CCOC(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218647156 774272312 /nfs/dbraw/zinc/27/23/12/774272312.db2.gz FYHOUVHPWFZSFO-JTQLQIEISA-N 1 3 304.350 0.006 20 0 DCADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CNC[C@@H](F)C1 ZINC001218725942 774289255 /nfs/dbraw/zinc/28/92/55/774289255.db2.gz BXLKDSOGBPGIHJ-NTZNESFSSA-N 1 3 308.357 0.708 20 0 DCADHO CCN(C)c1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218741091 774293320 /nfs/dbraw/zinc/29/33/20/774293320.db2.gz RWBFAYJRSMMFIR-IAQYHMDHSA-N 1 3 304.398 0.070 20 0 DCADHO Cn1nnc2cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)ccc21 ZINC001218876987 774319338 /nfs/dbraw/zinc/31/93/38/774319338.db2.gz FETPVPKETQXVCF-LBPRGKRZSA-N 1 3 304.398 0.966 20 0 DCADHO N[C@@H](C(=O)Nc1ccc2[nH]c(CO)nc2c1)C1CC[NH2+]CC1 ZINC001218955761 774335092 /nfs/dbraw/zinc/33/50/92/774335092.db2.gz JSVNOOYIFUDRJC-CQSZACIVSA-N 1 3 303.366 0.321 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993450 774343892 /nfs/dbraw/zinc/34/38/92/774343892.db2.gz OMRCOJASVPKZSN-HZMBPMFUSA-N 1 3 302.378 0.567 20 0 DCADHO C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219028039 774350661 /nfs/dbraw/zinc/35/06/61/774350661.db2.gz NBADEUSEXJWJEN-OAHLLOKOSA-N 1 3 318.421 0.791 20 0 DCADHO O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219152246 774391928 /nfs/dbraw/zinc/39/19/28/774391928.db2.gz PXXKNMFGPHTIRT-RFAUZJTJSA-N 1 3 302.334 0.671 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CNCCF)C1 ZINC001200852155 774417329 /nfs/dbraw/zinc/41/73/29/774417329.db2.gz WGENTMPGZCBJGV-CYBMUJFWSA-N 1 3 303.422 0.893 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CNCCF)C1 ZINC001200852155 774417332 /nfs/dbraw/zinc/41/73/32/774417332.db2.gz WGENTMPGZCBJGV-CYBMUJFWSA-N 1 3 303.422 0.893 20 0 DCADHO Nc1nc2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ccc2s1 ZINC001219245361 774422123 /nfs/dbraw/zinc/42/21/23/774422123.db2.gz IGNUXKAROHNIES-VIFPVBQESA-N 1 3 303.391 0.626 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053463 774445416 /nfs/dbraw/zinc/44/54/16/774445416.db2.gz PUROINGNFVTTAQ-BXUZGUMPSA-N 1 3 310.442 0.042 20 0 DCADHO CN1Cc2cccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)c2C1=O ZINC001219362751 774465130 /nfs/dbraw/zinc/46/51/30/774465130.db2.gz VGOZNYFBJGRDRI-LLVKDONJSA-N 1 3 300.362 0.020 20 0 DCADHO N[C@H](C(=O)Nc1cccc2c1CC(=O)NC2)C1CC[NH2+]CC1 ZINC001219369740 774467786 /nfs/dbraw/zinc/46/77/86/774467786.db2.gz NSQNXNFCWPJKLT-HNNXBMFYSA-N 1 3 302.378 0.124 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001201239839 774468955 /nfs/dbraw/zinc/46/89/55/774468955.db2.gz NUTMWHUABRFIIL-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO COC(=O)[C@H]1CCc2cc(NC(=O)[C@@H](N)CCC[NH3+])ccc21 ZINC001219425460 774486709 /nfs/dbraw/zinc/48/67/09/774486709.db2.gz MHWGOLCBKRYOTE-KBPBESRZSA-N 1 3 305.378 0.894 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219534102 774526746 /nfs/dbraw/zinc/52/67/46/774526746.db2.gz TXPNYXZNULRQQB-KWBADKCTSA-N 1 3 319.361 0.353 20 0 DCADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)C1 ZINC001219648788 774570804 /nfs/dbraw/zinc/57/08/04/774570804.db2.gz AARABXWPNMDQQX-FRRDWIJNSA-N 1 3 313.442 0.797 20 0 DCADHO Cn1c(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)ccc1C(F)(F)F ZINC001219698628 774583509 /nfs/dbraw/zinc/58/35/09/774583509.db2.gz DXXXHLIFDONCFS-JTQLQIEISA-N 1 3 316.327 0.469 20 0 DCADHO Cc1ccn2c(CNC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cnc2c1 ZINC001219709989 774587376 /nfs/dbraw/zinc/58/73/76/774587376.db2.gz WEDUEIBDYQVJRQ-CXAGYDPISA-N 1 3 313.405 0.458 20 0 DCADHO C[C@@H](N)c1ncc(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)s1 ZINC001219766210 774601094 /nfs/dbraw/zinc/60/10/94/774601094.db2.gz NWLUQBOBJYKFIK-MXWKQRLJSA-N 1 3 309.439 0.186 20 0 DCADHO C[C@@H](N)c1ncc(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)s1 ZINC001219766210 774601095 /nfs/dbraw/zinc/60/10/95/774601095.db2.gz NWLUQBOBJYKFIK-MXWKQRLJSA-N 1 3 309.439 0.186 20 0 DCADHO C[C@@H](N)c1ncc(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)s1 ZINC001219766210 774601096 /nfs/dbraw/zinc/60/10/96/774601096.db2.gz NWLUQBOBJYKFIK-MXWKQRLJSA-N 1 3 309.439 0.186 20 0 DCADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001219775417 774603665 /nfs/dbraw/zinc/60/36/65/774603665.db2.gz LMUYOACCVBDCKH-CXAGYDPISA-N 1 3 307.438 0.794 20 0 DCADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CNC[C@@H](F)C1 ZINC001219788957 774608525 /nfs/dbraw/zinc/60/85/25/774608525.db2.gz UAEVAXNRASETMH-RDBSUJKOSA-N 1 3 308.401 0.661 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202163897 774609493 /nfs/dbraw/zinc/60/94/93/774609493.db2.gz JSFMIIUZPCAFLD-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1cc2c(s1)CNCC2 ZINC001219803866 774613605 /nfs/dbraw/zinc/61/36/05/774613605.db2.gz ZUGJJYRCBOKASE-LBPRGKRZSA-N 1 3 321.446 0.892 20 0 DCADHO CO[C@H]([C@@H](C)C(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC001219847259 774626550 /nfs/dbraw/zinc/62/65/50/774626550.db2.gz BBNHCSPYQNQWNR-MNQBEEPXSA-N 1 3 311.426 0.025 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865237 774631937 /nfs/dbraw/zinc/63/19/37/774631937.db2.gz HLDFCKHXBDWYBG-HRCADAONSA-N 1 3 305.422 0.820 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954778 774655317 /nfs/dbraw/zinc/65/53/17/774655317.db2.gz RNXMZLLEMOJXPF-RBZFPXEDSA-N 1 3 303.472 0.511 20 0 DCADHO O=C(NCc1ccc2c(c1)CCO2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220067564 774687265 /nfs/dbraw/zinc/68/72/65/774687265.db2.gz OPYIPEZVPSHBAG-RHSMWYFYSA-N 1 3 301.390 0.437 20 0 DCADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1(C[NH3+])COC1 ZINC001220153926 774711889 /nfs/dbraw/zinc/71/18/89/774711889.db2.gz DLDAWAHROWZACI-LLVKDONJSA-N 1 3 317.311 0.419 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220166669 774716902 /nfs/dbraw/zinc/71/69/02/774716902.db2.gz FEDOBPNOMVGZTH-YQQAZPJKSA-N 1 3 324.469 0.659 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202495751 774722041 /nfs/dbraw/zinc/72/20/41/774722041.db2.gz HZIXUNQPRFMBDV-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495883 774723841 /nfs/dbraw/zinc/72/38/41/774723841.db2.gz KASMFPPTSDHRDF-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495884 774723987 /nfs/dbraw/zinc/72/39/87/774723987.db2.gz KASMFPPTSDHRDF-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220251884 774746534 /nfs/dbraw/zinc/74/65/34/774746534.db2.gz ITYYPIIGSXVVSA-STQMWFEESA-N 1 3 313.442 0.907 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220251884 774746539 /nfs/dbraw/zinc/74/65/39/774746539.db2.gz ITYYPIIGSXVVSA-STQMWFEESA-N 1 3 313.442 0.907 20 0 DCADHO O=C(NCCc1cn2ccccc2n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220278163 774754423 /nfs/dbraw/zinc/75/44/23/774754423.db2.gz FXOLPHDKNOSEGN-CXAGYDPISA-N 1 3 313.405 0.192 20 0 DCADHO CCOC(=O)C1(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCC1 ZINC001220371244 774783941 /nfs/dbraw/zinc/78/39/41/774783941.db2.gz RDWFBBGMSGXCNN-ZDUSSCGKSA-N 1 3 323.437 0.710 20 0 DCADHO CCOC(=O)C1(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCC1 ZINC001220371244 774783945 /nfs/dbraw/zinc/78/39/45/774783945.db2.gz RDWFBBGMSGXCNN-ZDUSSCGKSA-N 1 3 323.437 0.710 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)CN(CC)CC ZINC001114353113 774810299 /nfs/dbraw/zinc/81/02/99/774810299.db2.gz MTOOETCKIQYBNE-BARDWOONSA-N 1 3 315.433 0.749 20 0 DCADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)CN(CC)CC ZINC001114353113 774810308 /nfs/dbraw/zinc/81/03/08/774810308.db2.gz MTOOETCKIQYBNE-BARDWOONSA-N 1 3 315.433 0.749 20 0 DCADHO COC(=O)C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cccnc1 ZINC001220530446 774838745 /nfs/dbraw/zinc/83/87/45/774838745.db2.gz QMKGRCKZRQSSGE-ZFWWWQNUSA-N 1 3 320.393 0.129 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001220589507 774856190 /nfs/dbraw/zinc/85/61/90/774856190.db2.gz BPMMNSKJXFFTMI-ZDUSSCGKSA-N 1 3 306.435 0.846 20 0 DCADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1CNC[C@H](F)C1 ZINC001220651231 774877498 /nfs/dbraw/zinc/87/74/98/774877498.db2.gz HKQVIUJQNBOGHM-LSDHHAIUSA-N 1 3 320.412 0.660 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccccc1OC1CCOCC1 ZINC001220663532 774880948 /nfs/dbraw/zinc/88/09/48/774880948.db2.gz HIIMVWDNWPTZEL-HNNXBMFYSA-N 1 3 321.421 0.927 20 0 DCADHO CCOC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@@H](C)CC ZINC001220666035 774881643 /nfs/dbraw/zinc/88/16/43/774881643.db2.gz PTPOEDWGSDVTLC-VPWBDBDCSA-N 1 3 311.426 0.280 20 0 DCADHO CS(=O)(=O)c1ccccc1CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001220684039 774889311 /nfs/dbraw/zinc/88/93/11/774889311.db2.gz WEDAVESOFVPPNL-LBPRGKRZSA-N 1 3 313.423 0.163 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000874823609 774916219 /nfs/dbraw/zinc/91/62/19/774916219.db2.gz BHIWQXBMVFYJIW-HUUCEWRRSA-N 1 3 305.426 0.753 20 0 DCADHO CCOC(=O)C1=C(NC(=O)c2cc3c(s2)CNCC3)C[NH2+]C1 ZINC001220836447 774930456 /nfs/dbraw/zinc/93/04/56/774930456.db2.gz NJSCAHQXPBZESJ-UHFFFAOYSA-N 1 3 321.402 0.544 20 0 DCADHO N[C@H](C(=O)NCc1ccc(C2OCCO2)cc1)C1CC[NH2+]CC1 ZINC001220838677 774932260 /nfs/dbraw/zinc/93/22/60/774932260.db2.gz ZPZJINVTKMVULJ-HNNXBMFYSA-N 1 3 319.405 0.675 20 0 DCADHO CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220849190 774934650 /nfs/dbraw/zinc/93/46/50/774934650.db2.gz VXSMAUGVCCDVMD-STQMWFEESA-N 1 3 301.431 0.797 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCO[C@H]1CCCCO1 ZINC001220862193 774938292 /nfs/dbraw/zinc/93/82/92/774938292.db2.gz SSJYUIDORDSKMT-KBPBESRZSA-N 1 3 301.431 0.705 20 0 DCADHO COc1cncc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001220870876 774940418 /nfs/dbraw/zinc/94/04/18/774940418.db2.gz QLKOOPIYZUDQOC-AWEZNQCLSA-N 1 3 304.394 0.581 20 0 DCADHO COc1cncc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001220870876 774940422 /nfs/dbraw/zinc/94/04/22/774940422.db2.gz QLKOOPIYZUDQOC-AWEZNQCLSA-N 1 3 304.394 0.581 20 0 DCADHO CCOC(=O)[C@@H](CNC(=O)[C@H](N)CCC[NH3+])c1ccccc1 ZINC001220876102 774941071 /nfs/dbraw/zinc/94/10/71/774941071.db2.gz DESJAWLVUTZKIA-UONOGXRCSA-N 1 3 307.394 0.516 20 0 DCADHO COC(=O)C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])c1ccccn1 ZINC001220900096 774947192 /nfs/dbraw/zinc/94/71/92/774947192.db2.gz ADTQOCISPWIFBB-WCQYABFASA-N 1 3 308.382 0.258 20 0 DCADHO COc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001220928266 774955829 /nfs/dbraw/zinc/95/58/29/774955829.db2.gz JKTFLYFPQRNJPK-ILXRZTDVSA-N 1 3 318.421 0.075 20 0 DCADHO COc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C1 ZINC001220928266 774955831 /nfs/dbraw/zinc/95/58/31/774955831.db2.gz JKTFLYFPQRNJPK-ILXRZTDVSA-N 1 3 318.421 0.075 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001220958182 774963001 /nfs/dbraw/zinc/96/30/01/774963001.db2.gz IJOWXSJUNGXWIW-WDEREUQCSA-N 1 3 315.826 0.909 20 0 DCADHO COc1ncccc1[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221021668 774981457 /nfs/dbraw/zinc/98/14/57/774981457.db2.gz OCJJVUPIHYZQRT-KGLIPLIRSA-N 1 3 316.405 0.467 20 0 DCADHO C[C@](N)(CO)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221031651 774983701 /nfs/dbraw/zinc/98/37/01/774983701.db2.gz RHDDWKMRIJGYJP-HOCLYGCPSA-N 1 3 309.385 0.692 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202667279 774984057 /nfs/dbraw/zinc/98/40/57/774984057.db2.gz HGLUTCCQMRJMIJ-UHFFFAOYSA-N 1 3 307.398 0.057 20 0 DCADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221063380 774987635 /nfs/dbraw/zinc/98/76/35/774987635.db2.gz UNXPRICCVODTAQ-JYJNAYRXSA-N 1 3 302.422 0.314 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221062860 774988043 /nfs/dbraw/zinc/98/80/43/774988043.db2.gz CTLUMHOOGZWNDC-XHSDSOJGSA-N 1 3 303.406 0.348 20 0 DCADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000316840515 774989934 /nfs/dbraw/zinc/98/99/34/774989934.db2.gz RAUCYSFJDWXLOQ-XHSDSOJGSA-N 1 3 303.406 0.708 20 0 DCADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CNC[C@@H](F)C1 ZINC001221121532 775000314 /nfs/dbraw/zinc/00/03/14/775000314.db2.gz IQQSUEYUDLVQLT-OCCSQVGLSA-N 1 3 306.385 0.724 20 0 DCADHO NC[C@H](N)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221201853 775025284 /nfs/dbraw/zinc/02/52/84/775025284.db2.gz NCXWUKDFIAKUJT-GJZGRUSLSA-N 1 3 308.401 0.659 20 0 DCADHO COc1cccnc1[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221214985 775028790 /nfs/dbraw/zinc/02/87/90/775028790.db2.gz LDEXJRKNAKIISU-OCCSQVGLSA-N 1 3 316.405 0.467 20 0 DCADHO O=C(NCc1cc2ccccn2n1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221235233 775036205 /nfs/dbraw/zinc/03/62/05/775036205.db2.gz XDVNPZOVORUSSW-OAHLLOKOSA-N 1 3 313.405 0.825 20 0 DCADHO O=C(NCc1cc2ccccn2n1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221235233 775036214 /nfs/dbraw/zinc/03/62/14/775036214.db2.gz XDVNPZOVORUSSW-OAHLLOKOSA-N 1 3 313.405 0.825 20 0 DCADHO N[C@H](C(=O)NCc1ccc2c(c1)CC(=O)N2)C1CC[NH2+]CC1 ZINC001221298169 775059031 /nfs/dbraw/zinc/05/90/31/775059031.db2.gz FEVFULGFXYWGAJ-HNNXBMFYSA-N 1 3 302.378 0.124 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCCCC[NH3+] ZINC001221344853 775074697 /nfs/dbraw/zinc/07/46/97/775074697.db2.gz GDGJRJIRDUFMLI-KBPBESRZSA-N 1 3 314.474 0.746 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)NC1 ZINC001221392012 775083327 /nfs/dbraw/zinc/08/33/27/775083327.db2.gz QWAXLJDCCQQABD-OFQRWUPVSA-N 1 3 302.422 0.695 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@]34CC[C@@H]3C[NH2+]C4)CC2)NC1 ZINC001221390980 775083737 /nfs/dbraw/zinc/08/37/37/775083737.db2.gz JMERSHMAMGJNPO-DYVFJYSZSA-N 1 3 302.422 0.554 20 0 DCADHO CO[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001221398910 775086826 /nfs/dbraw/zinc/08/68/26/775086826.db2.gz JWHHWZWPFYNZLD-XHSDSOJGSA-N 1 3 303.406 0.584 20 0 DCADHO C[NH+](C)C1(CC(=O)N2C[C@H]3CCN(CCO)C[C@H]32)CCCC1 ZINC001221715611 775177442 /nfs/dbraw/zinc/17/74/42/775177442.db2.gz ZYCRVSMPPLHLLT-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO c1cc(CN2CCNC3(CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC001222099679 775271713 /nfs/dbraw/zinc/27/17/13/775271713.db2.gz JFSMJHJIRFVWQW-UHFFFAOYSA-N 1 3 303.406 0.985 20 0 DCADHO c1cc(CN2CCOC3(CNC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001222446977 775354011 /nfs/dbraw/zinc/35/40/11/775354011.db2.gz HIGWWOZDNPQTLJ-UHFFFAOYSA-N 1 3 302.422 0.270 20 0 DCADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959144 775361945 /nfs/dbraw/zinc/36/19/45/775361945.db2.gz FURSIHKNZADAGD-TUVASFSCSA-N 1 3 313.442 0.057 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC ZINC001111233865 775614186 /nfs/dbraw/zinc/61/41/86/775614186.db2.gz XLXKWGPQPFOMLI-TUVASFSCSA-N 1 3 313.442 0.057 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC ZINC001111233865 775614191 /nfs/dbraw/zinc/61/41/91/775614191.db2.gz XLXKWGPQPFOMLI-TUVASFSCSA-N 1 3 313.442 0.057 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226782399 775876611 /nfs/dbraw/zinc/87/66/11/775876611.db2.gz MLZVQPBFAJMXDF-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO C[NH+](C)CCCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001228904608 776136817 /nfs/dbraw/zinc/13/68/17/776136817.db2.gz PHTJYUMEKSEAAY-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO CC(C)[C@H](C(=O)NC1CCN(CCn2cncn2)CC1)[NH+](C)C ZINC001229058616 776154396 /nfs/dbraw/zinc/15/43/96/776154396.db2.gz SSGLNEKGDNKXPA-OAHLLOKOSA-N 1 3 322.457 0.445 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001229237409 776171770 /nfs/dbraw/zinc/17/17/70/776171770.db2.gz DDZIRILPIKASNH-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114834918 776206696 /nfs/dbraw/zinc/20/66/96/776206696.db2.gz FUCHIIMRCPGZGD-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114834918 776206701 /nfs/dbraw/zinc/20/67/01/776206701.db2.gz FUCHIIMRCPGZGD-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257424 776271461 /nfs/dbraw/zinc/27/14/61/776271461.db2.gz SBRCFQCWXJWQQP-ZIAGYGMSSA-N 1 3 310.442 0.365 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041846185 777537584 /nfs/dbraw/zinc/53/75/84/777537584.db2.gz ZAQKBKRANKBEQK-WBVHZDCISA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041846185 777537589 /nfs/dbraw/zinc/53/75/89/777537589.db2.gz ZAQKBKRANKBEQK-WBVHZDCISA-N 1 3 309.454 0.778 20 0 DCADHO C[NH+]1CCC(C)(CN2CC3(C[C@@H]3C(=O)NCC3COC3)C2)CC1 ZINC001278020707 945099916 /nfs/dbraw/zinc/09/99/16/945099916.db2.gz DOPDLVIGKWOCKQ-OAHLLOKOSA-N 1 3 321.465 0.803 20 0 DCADHO C[NH+]1CCC(C)(CN2CC[C@@H]3C[C@@]32C(=O)NCC2COC2)CC1 ZINC001278022167 945100102 /nfs/dbraw/zinc/10/01/02/945100102.db2.gz QKDLMFMOARWLFV-QAPCUYQASA-N 1 3 321.465 0.945 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317655396 945147517 /nfs/dbraw/zinc/14/75/17/945147517.db2.gz QQHGHOOMJCUNKI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CCC[C@@H](CN2CC3(C[C@H]3C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278148118 945157379 /nfs/dbraw/zinc/15/73/79/945157379.db2.gz LYHGBBSQIUXMOJ-HIFRSBDPSA-N 1 3 317.437 0.690 20 0 DCADHO C[N@H+]1CCC[C@@H](CN2CC3(C[C@H]3C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278148118 945157384 /nfs/dbraw/zinc/15/73/84/945157384.db2.gz LYHGBBSQIUXMOJ-HIFRSBDPSA-N 1 3 317.437 0.690 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)CC[NH3+] ZINC000398200837 939189680 /nfs/dbraw/zinc/18/96/80/939189680.db2.gz PJRRVDRESAYDQN-HIFRSBDPSA-N 1 3 311.451 0.775 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267032218 939317864 /nfs/dbraw/zinc/31/78/64/939317864.db2.gz FLGYOXNEPAJNGY-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001408574641 939369007 /nfs/dbraw/zinc/36/90/07/939369007.db2.gz WTNOXCAOMFYVNJ-KBPBESRZSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001408574641 939369012 /nfs/dbraw/zinc/36/90/12/939369012.db2.gz WTNOXCAOMFYVNJ-KBPBESRZSA-N 1 3 312.458 0.099 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)C1 ZINC001267178471 939372515 /nfs/dbraw/zinc/37/25/15/939372515.db2.gz ADGAJOVNIPAYRZ-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)C1 ZINC001267178471 939372519 /nfs/dbraw/zinc/37/25/19/939372519.db2.gz ADGAJOVNIPAYRZ-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=O)NC)N(C)C ZINC001267179345 939372697 /nfs/dbraw/zinc/37/26/97/939372697.db2.gz OMBHUAOIYINNTM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NC)N(C)C ZINC001267179345 939372701 /nfs/dbraw/zinc/37/27/01/939372701.db2.gz OMBHUAOIYINNTM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C23CC[NH+](CC2)C3)ccn1 ZINC001267457091 939461552 /nfs/dbraw/zinc/46/15/52/939461552.db2.gz RUMXVULCYJPYHE-UHFFFAOYSA-N 1 3 318.421 0.734 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001408693947 939578596 /nfs/dbraw/zinc/57/85/96/939578596.db2.gz UHYHWNJSTQGVMZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001408693947 939578597 /nfs/dbraw/zinc/57/85/97/939578597.db2.gz UHYHWNJSTQGVMZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001267958189 939712864 /nfs/dbraw/zinc/71/28/64/939712864.db2.gz VFYPBOVBUZORFX-CABCVRRESA-N 1 3 322.457 0.445 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3ccncn3)C2)C1=O ZINC001273115460 945271208 /nfs/dbraw/zinc/27/12/08/945271208.db2.gz PAIKBBPIQYUJQZ-MRXNPFEDSA-N 1 3 303.410 0.463 20 0 DCADHO CN1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001481535701 939924024 /nfs/dbraw/zinc/92/40/24/939924024.db2.gz MNVGISMKFBJFJQ-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CN1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001481535701 939924027 /nfs/dbraw/zinc/92/40/27/939924027.db2.gz MNVGISMKFBJFJQ-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001268415693 940114453 /nfs/dbraw/zinc/11/44/53/940114453.db2.gz QRJZALPPAZZFIT-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cn(C)nc1C ZINC001481872181 940168823 /nfs/dbraw/zinc/16/88/23/940168823.db2.gz SOAAQCYVDUFJAY-OAHLLOKOSA-N 1 3 319.453 0.809 20 0 DCADHO CNC(=O)CNCC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001481898778 940175693 /nfs/dbraw/zinc/17/56/93/940175693.db2.gz CHAGCHCUDBZUNX-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CNC(=O)CNCC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001481898778 940175695 /nfs/dbraw/zinc/17/56/95/940175695.db2.gz CHAGCHCUDBZUNX-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001481903304 940176610 /nfs/dbraw/zinc/17/66/10/940176610.db2.gz CMAGVWAPFMAGSJ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001268539063 940224121 /nfs/dbraw/zinc/22/41/21/940224121.db2.gz PUOJDGVQJHFUIG-CFHLNLSMSA-N 1 3 310.442 0.387 20 0 DCADHO CC(C)N(C)C(=O)CNC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268591477 940273285 /nfs/dbraw/zinc/27/32/85/940273285.db2.gz RBIRSAKDJHCNSA-LLYBFZRZSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)C(=O)CNC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268591477 940273289 /nfs/dbraw/zinc/27/32/89/940273289.db2.gz RBIRSAKDJHCNSA-LLYBFZRZSA-N 1 3 324.469 0.457 20 0 DCADHO COC(=O)[C@H](O)CN[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246001112 945312459 /nfs/dbraw/zinc/31/24/59/945312459.db2.gz PTDNLGHBGXGGCC-CABCVRRESA-N 1 3 310.369 0.990 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001268799191 940365213 /nfs/dbraw/zinc/36/52/13/940365213.db2.gz UMQDGFKPWRQUIV-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](N)CCCC[NH2+]C[C@@]1(O)CCCNC1 ZINC001246013015 945314408 /nfs/dbraw/zinc/31/44/08/945314408.db2.gz FCYBQHZQAHKMTR-BBRMVZONSA-N 1 3 315.458 0.530 20 0 DCADHO NC[C@@]1(O)CCCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC001246024150 945319535 /nfs/dbraw/zinc/31/95/35/945319535.db2.gz QQQBNSQWXVRRQN-SJORKVTESA-N 1 3 308.422 0.740 20 0 DCADHO NC[C@@]1(O)CCCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC001246024150 945319543 /nfs/dbraw/zinc/31/95/43/945319543.db2.gz QQQBNSQWXVRRQN-SJORKVTESA-N 1 3 308.422 0.740 20 0 DCADHO [NH3+]C[C@@]1(O)CCCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC001246024150 945319549 /nfs/dbraw/zinc/31/95/49/945319549.db2.gz QQQBNSQWXVRRQN-SJORKVTESA-N 1 3 308.422 0.740 20 0 DCADHO N[C@@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[C@H]1F ZINC001246053012 945330083 /nfs/dbraw/zinc/33/00/83/945330083.db2.gz GPGQCOPTCRQHGU-LXTVHRRPSA-N 1 3 317.355 0.567 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCCS(C)(=O)=O)CCCC1 ZINC001482228539 940725184 /nfs/dbraw/zinc/72/51/84/940725184.db2.gz TWFYXIKZELJCFW-UHFFFAOYSA-N 1 3 319.471 0.001 20 0 DCADHO COC(=O)[C@@H]1C[C@H](NC[C@@]23CCCO[C@@H]2CC[NH2+]C3)CCN1 ZINC001246154615 945349271 /nfs/dbraw/zinc/34/92/71/945349271.db2.gz VRCUOMDHQQSOFK-CTASWTNQSA-N 1 3 311.426 0.028 20 0 DCADHO CN(C)C(=O)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001269943655 940804320 /nfs/dbraw/zinc/80/43/20/940804320.db2.gz RYKIPNHMDXRESG-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001270179428 940850904 /nfs/dbraw/zinc/85/09/04/940850904.db2.gz LUPBERNFOOBHBC-LQDVMPOASA-N 1 3 305.426 0.625 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]C[C@H]2CCOC2)C1 ZINC001280297900 940996975 /nfs/dbraw/zinc/99/69/75/940996975.db2.gz YWAOXOXXLKPBPA-JKSUJKDBSA-N 1 3 309.454 0.947 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482331009 940999037 /nfs/dbraw/zinc/99/90/37/940999037.db2.gz NIZDSBVCVHMPTJ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482331009 940999042 /nfs/dbraw/zinc/99/90/42/940999042.db2.gz NIZDSBVCVHMPTJ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482390898 941035723 /nfs/dbraw/zinc/03/57/23/941035723.db2.gz JKADNBDETSJXPX-IHRRRGAJSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482390898 941035727 /nfs/dbraw/zinc/03/57/27/941035727.db2.gz JKADNBDETSJXPX-IHRRRGAJSA-N 1 3 312.458 0.323 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001482443052 941223262 /nfs/dbraw/zinc/22/32/62/941223262.db2.gz AHIFWVROAMKQPK-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21)N1CCCC1 ZINC001271213882 941323960 /nfs/dbraw/zinc/32/39/60/941323960.db2.gz ILJRYENEYOFOOA-HRCADAONSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001271926891 941481537 /nfs/dbraw/zinc/48/15/37/941481537.db2.gz BPBCEAPENMDZGX-HNNXBMFYSA-N 1 3 317.437 0.510 20 0 DCADHO CC(C)[N@H+]1CC[C@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001271926891 941481538 /nfs/dbraw/zinc/48/15/38/941481538.db2.gz BPBCEAPENMDZGX-HNNXBMFYSA-N 1 3 317.437 0.510 20 0 DCADHO CN(CCO[C@H]1CC1(F)F)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482649365 941610121 /nfs/dbraw/zinc/61/01/21/941610121.db2.gz KZTZMIMZYNKFAD-OLZOCXBDSA-N 1 3 319.396 0.753 20 0 DCADHO CN(CCO[C@H]1CC1(F)F)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482649365 941610122 /nfs/dbraw/zinc/61/01/22/941610122.db2.gz KZTZMIMZYNKFAD-OLZOCXBDSA-N 1 3 319.396 0.753 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001482899142 941701063 /nfs/dbraw/zinc/70/10/63/941701063.db2.gz LWUVUEWVZUFXBP-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC001482899142 941701068 /nfs/dbraw/zinc/70/10/68/941701068.db2.gz LWUVUEWVZUFXBP-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001482899143 941701229 /nfs/dbraw/zinc/70/12/29/941701229.db2.gz LWUVUEWVZUFXBP-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)ncn1 ZINC001482899143 941701233 /nfs/dbraw/zinc/70/12/33/941701233.db2.gz LWUVUEWVZUFXBP-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCc1ccnn1C ZINC001482888442 941701795 /nfs/dbraw/zinc/70/17/95/941701795.db2.gz CUYMDUSPBHCYEK-GFCCVEGCSA-N 1 3 318.425 0.721 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CN(C)C1CCC1 ZINC001482932451 941711663 /nfs/dbraw/zinc/71/16/63/941711663.db2.gz ZDBMPWDSVTXYKE-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483152768 941912206 /nfs/dbraw/zinc/91/22/06/941912206.db2.gz IQKDGYCMTUNOPB-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](C[NH2+]CCn1cncn1)NC(=O)CN(C)CC(C)(C)C ZINC001483166787 941919121 /nfs/dbraw/zinc/91/91/21/941919121.db2.gz OQZWNEMDSCLXQS-CYBMUJFWSA-N 1 3 310.446 0.350 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483172438 941922266 /nfs/dbraw/zinc/92/22/66/941922266.db2.gz QAZQAXYPUXIWJS-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409406570 941984781 /nfs/dbraw/zinc/98/47/81/941984781.db2.gz AJBONROORPXUOZ-CHWSQXEVSA-N 1 3 310.442 0.090 20 0 DCADHO CCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409429273 941993342 /nfs/dbraw/zinc/99/33/42/941993342.db2.gz ZLJUKUYYSBCCNF-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001409443233 942000121 /nfs/dbraw/zinc/00/01/21/942000121.db2.gz CCSZFASWTBIKLS-CHWSQXEVSA-N 1 3 322.457 0.972 20 0 DCADHO Cc1nc(CN[C@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001409443259 942000308 /nfs/dbraw/zinc/00/03/08/942000308.db2.gz CCSZFASWTBIKLS-OLZOCXBDSA-N 1 3 322.457 0.972 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@@H](O)C1 ZINC001083668837 942449144 /nfs/dbraw/zinc/44/91/44/942449144.db2.gz IQPXVSGAXAOWTG-PMPSAXMXSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@@H](O)C1 ZINC001083668837 942449146 /nfs/dbraw/zinc/44/91/46/942449146.db2.gz IQPXVSGAXAOWTG-PMPSAXMXSA-N 1 3 309.454 0.678 20 0 DCADHO Cc1ncc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001272558337 942824002 /nfs/dbraw/zinc/82/40/02/942824002.db2.gz GPHBPVVQLJEQRS-QGZVFWFLSA-N 1 3 317.437 0.771 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001272565363 942827907 /nfs/dbraw/zinc/82/79/07/942827907.db2.gz LRLSOULZRCYCII-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001272653245 942891127 /nfs/dbraw/zinc/89/11/27/942891127.db2.gz PHKIJWXSMBSTDK-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001483923552 943026286 /nfs/dbraw/zinc/02/62/86/943026286.db2.gz ASCTTZVNUQRYGR-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001483941858 943040108 /nfs/dbraw/zinc/04/01/08/943040108.db2.gz GFBJZSDJIVSPOP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001484000055 943076191 /nfs/dbraw/zinc/07/61/91/943076191.db2.gz AAMBUADAWIMMEO-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001484000055 943076198 /nfs/dbraw/zinc/07/61/98/943076198.db2.gz AAMBUADAWIMMEO-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)(C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1)N1CCCC1 ZINC001484004737 943077612 /nfs/dbraw/zinc/07/76/12/943077612.db2.gz CNSOUIFPDJJINH-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013312 943139963 /nfs/dbraw/zinc/13/99/63/943139963.db2.gz HURQEEZVIQNEGW-KFWWJZLASA-N 1 3 305.426 0.800 20 0 DCADHO O=C(NCC1(NCCF)CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001484181489 943176746 /nfs/dbraw/zinc/17/67/46/943176746.db2.gz CZABTMWJFFIBGV-CQSZACIVSA-N 1 3 313.417 0.553 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC001484414385 943362392 /nfs/dbraw/zinc/36/23/92/943362392.db2.gz LGABHJOQWFZUNJ-IYBDPMFKSA-N 1 3 319.453 0.615 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001484414385 943362397 /nfs/dbraw/zinc/36/23/97/943362397.db2.gz LGABHJOQWFZUNJ-IYBDPMFKSA-N 1 3 319.453 0.615 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793851 943390322 /nfs/dbraw/zinc/39/03/22/943390322.db2.gz NQPACRKWVQFKPO-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493793851 943390329 /nfs/dbraw/zinc/39/03/29/943390329.db2.gz NQPACRKWVQFKPO-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001484447433 943402525 /nfs/dbraw/zinc/40/25/25/943402525.db2.gz IXTDINDYCCKMTH-ZBFHGGJFSA-N 1 3 315.458 0.042 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001484447433 943402528 /nfs/dbraw/zinc/40/25/28/943402528.db2.gz IXTDINDYCCKMTH-ZBFHGGJFSA-N 1 3 315.458 0.042 20 0 DCADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N(CCO)CCNCCF ZINC001484486837 943426073 /nfs/dbraw/zinc/42/60/73/943426073.db2.gz BKCSENAYEUGFOZ-ZIAGYGMSSA-N 1 3 301.406 0.383 20 0 DCADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N(CCO)CCNCCF ZINC001484486837 943426076 /nfs/dbraw/zinc/42/60/76/943426076.db2.gz BKCSENAYEUGFOZ-ZIAGYGMSSA-N 1 3 301.406 0.383 20 0 DCADHO CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)CN2CCCC2)CC1 ZINC001484819237 943587137 /nfs/dbraw/zinc/58/71/37/943587137.db2.gz JBYNAQIIIQJKCH-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]C[C@H](C)OC)C1 ZINC001484857755 943602782 /nfs/dbraw/zinc/60/27/82/943602782.db2.gz YCDQDMGVLYUEPW-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001491024000 943714446 /nfs/dbraw/zinc/71/44/46/943714446.db2.gz XUFZOCATMVEKDX-WUHRBBMRSA-N 1 3 316.421 0.038 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001491023999 943714698 /nfs/dbraw/zinc/71/46/98/943714698.db2.gz XUFZOCATMVEKDX-RVMXOQNASA-N 1 3 316.421 0.038 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001491044896 943725226 /nfs/dbraw/zinc/72/52/26/943725226.db2.gz RAGZRCGRVKLVMV-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@@H](NCc1n[nH]c(C2CC2)n1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001485191378 943747336 /nfs/dbraw/zinc/74/73/36/943747336.db2.gz UTXIMRXWAYRZLO-GHMZBOCLSA-N 1 3 308.430 0.617 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCN1CCCC1=O ZINC001485348151 943860213 /nfs/dbraw/zinc/86/02/13/943860213.db2.gz VSJJKVAZBYKEIU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCOCC(F)F ZINC001485373593 943892483 /nfs/dbraw/zinc/89/24/83/943892483.db2.gz SNZOUUGDWFYOCV-GFCCVEGCSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCOCC(F)F ZINC001485373594 943893676 /nfs/dbraw/zinc/89/36/76/943893676.db2.gz SNZOUUGDWFYOCV-LBPRGKRZSA-N 1 3 319.396 0.800 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491477060 944030105 /nfs/dbraw/zinc/03/01/05/944030105.db2.gz FWGUYGDDBGLVKX-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001485703673 944083928 /nfs/dbraw/zinc/08/39/28/944083928.db2.gz ZUBKOXLQQHZPLE-BZUAXINKSA-N 1 3 321.469 0.787 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N1CCCC1 ZINC001491550148 944116949 /nfs/dbraw/zinc/11/69/49/944116949.db2.gz WHVOLXSBRYSTSZ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001203010798 944142241 /nfs/dbraw/zinc/14/22/41/944142241.db2.gz VXWVEVNUNGMQRU-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2cnccc2N)C1=O ZINC001272809412 944242274 /nfs/dbraw/zinc/24/22/74/944242274.db2.gz VMKOYRASDHVKAM-KRWDZBQOSA-N 1 3 317.437 0.623 20 0 DCADHO COC(CN1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1)OC ZINC001276641823 944243421 /nfs/dbraw/zinc/24/34/21/944243421.db2.gz BSLQOXWSIBRDPM-MRXNPFEDSA-N 1 3 315.458 0.334 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cnccn3)C2)C1=O ZINC001272833135 944267538 /nfs/dbraw/zinc/26/75/38/944267538.db2.gz GWGUIPRGAGYIHW-MRXNPFEDSA-N 1 3 303.410 0.463 20 0 DCADHO CCn1cc(CC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)cn1 ZINC001485928401 944396004 /nfs/dbraw/zinc/39/60/04/944396004.db2.gz WIBLCYQJVZFZPU-CYBMUJFWSA-N 1 3 318.425 0.848 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001485955402 944414491 /nfs/dbraw/zinc/41/44/91/944414491.db2.gz LYAMTZDKLURYSH-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCCCO1)C1CCC1 ZINC001486003864 944489105 /nfs/dbraw/zinc/48/91/05/944489105.db2.gz HVHDWPXZXWEKCK-UKRRQHHQSA-N 1 3 313.442 0.107 20 0 DCADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001486135787 944591313 /nfs/dbraw/zinc/59/13/13/944591313.db2.gz QSXPWHXDCIPCJJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001316902064 944629109 /nfs/dbraw/zinc/62/91/09/944629109.db2.gz UWBLLSILJWBFOZ-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cc(CN2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)n[nH]1 ZINC001277350147 944777289 /nfs/dbraw/zinc/77/72/89/944777289.db2.gz FXDLPXUZDOKKPL-CXAGYDPISA-N 1 3 317.437 0.750 20 0 DCADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4cn[nH]c4)(C2)C3)CC1 ZINC001277361656 944784579 /nfs/dbraw/zinc/78/45/79/944784579.db2.gz KUKBHFRPQVVEFK-UHFFFAOYSA-N 1 3 317.437 0.975 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]CCCO)C2)CC1 ZINC001317161793 944830159 /nfs/dbraw/zinc/83/01/59/944830159.db2.gz OEHZXMDWTWYOFN-MRXNPFEDSA-N 1 3 311.470 0.929 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)n[nH]1 ZINC001486411934 944864322 /nfs/dbraw/zinc/86/43/22/944864322.db2.gz VOGDIFJXKLBQHW-LBPRGKRZSA-N 1 3 310.446 0.685 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001317340536 944932668 /nfs/dbraw/zinc/93/26/68/944932668.db2.gz YLEQRGWWZXSEJQ-GJZGRUSLSA-N 1 3 320.441 0.058 20 0 DCADHO O=C1NC2(CCN(C3CC3)CC2)[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001277921417 945040272 /nfs/dbraw/zinc/04/02/72/945040272.db2.gz BUPUHDNIKNJLRL-GJZGRUSLSA-N 1 3 315.421 0.585 20 0 DCADHO O=C1NC2(CCN(C3CC3)CC2)[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001277921417 945040282 /nfs/dbraw/zinc/04/02/82/945040282.db2.gz BUPUHDNIKNJLRL-GJZGRUSLSA-N 1 3 315.421 0.585 20 0 DCADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CNC[C@@H]2CO)CC1 ZINC001246310593 945381923 /nfs/dbraw/zinc/38/19/23/945381923.db2.gz UKNAORJFTTYLGS-IKGGRYGDSA-N 1 3 317.433 0.851 20 0 DCADHO c1nc(CN[C@H]2CCNC3(C[NH2+]C3)C2)cn1Cc1ccncc1 ZINC001246393115 945402829 /nfs/dbraw/zinc/40/28/29/945402829.db2.gz UHWBDOFTKOZLBJ-HNNXBMFYSA-N 1 3 312.421 0.510 20 0 DCADHO COCCC1(N[C@@H]2CC[NH2+][C@H](C)C2)CCS(=O)(=O)CC1 ZINC001246391852 945403121 /nfs/dbraw/zinc/40/31/21/945403121.db2.gz PKKWQMMMWJYGQM-CHWSQXEVSA-N 1 3 304.456 0.700 20 0 DCADHO COCCC1([NH2+][C@@H]2CCN[C@H](C)C2)CCS(=O)(=O)CC1 ZINC001246391852 945403125 /nfs/dbraw/zinc/40/31/25/945403125.db2.gz PKKWQMMMWJYGQM-CHWSQXEVSA-N 1 3 304.456 0.700 20 0 DCADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCNC(=O)C3)C[C@@H]1CNCCC2 ZINC001246593528 945439824 /nfs/dbraw/zinc/43/98/24/945439824.db2.gz GZBMPNZXOIVOCK-ZENOOKHLSA-N 1 3 309.410 0.130 20 0 DCADHO CCOC(=O)[C@@]12C[N@H+]([C@@H]3CCNC(=O)C3)C[C@@H]1CNCCC2 ZINC001246593528 945439829 /nfs/dbraw/zinc/43/98/29/945439829.db2.gz GZBMPNZXOIVOCK-ZENOOKHLSA-N 1 3 309.410 0.130 20 0 DCADHO CC[C@@H]1C[C@H](N2CCOC[C@@]3(CNCCO3)C2)C[C@H](CC)[NH2+]1 ZINC001246599608 945441815 /nfs/dbraw/zinc/44/18/15/945441815.db2.gz DOJIDLPBQUYLDG-LTIDMASMSA-N 1 3 311.470 0.986 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CC[NH2+]C[C@]3(CCCCN3)C2)CN1 ZINC001246637568 945449601 /nfs/dbraw/zinc/44/96/01/945449601.db2.gz YOFYXSXEJAHSPO-DJIMGWMZSA-N 1 3 324.469 0.088 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CCNC[C@]3(CCCC[NH2+]3)C2)CN1 ZINC001246637568 945449602 /nfs/dbraw/zinc/44/96/02/945449602.db2.gz YOFYXSXEJAHSPO-DJIMGWMZSA-N 1 3 324.469 0.088 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CCN1 ZINC001246713106 945469424 /nfs/dbraw/zinc/46/94/24/945469424.db2.gz BGCICBDUWAXQSA-HNKHHVNMSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CCN1 ZINC001246713106 945469433 /nfs/dbraw/zinc/46/94/33/945469433.db2.gz BGCICBDUWAXQSA-HNKHHVNMSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@H]1C[C@@H](N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CC[NH2+]1 ZINC001246713106 945469439 /nfs/dbraw/zinc/46/94/39/945469439.db2.gz BGCICBDUWAXQSA-HNKHHVNMSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CCN1 ZINC001246738970 945479520 /nfs/dbraw/zinc/47/95/20/945479520.db2.gz HZEBJMMPJKDMSF-GZFHQYITSA-N 1 3 307.438 0.885 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CCN1 ZINC001246738970 945479526 /nfs/dbraw/zinc/47/95/26/945479526.db2.gz HZEBJMMPJKDMSF-GZFHQYITSA-N 1 3 307.438 0.885 20 0 DCADHO C[C@H]1C[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CC[NH2+]1 ZINC001246761420 945483905 /nfs/dbraw/zinc/48/39/05/945483905.db2.gz SLPLGXGBNXHRAM-AAEUAGOBSA-N 1 3 317.437 0.982 20 0 DCADHO O=C(C1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1)C(F)(F)F ZINC001246800388 945493816 /nfs/dbraw/zinc/49/38/16/945493816.db2.gz ZKFPKWOMZQRLHP-LLVKDONJSA-N 1 3 305.344 0.924 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCc1cnn(C)c1 ZINC001319243317 945530862 /nfs/dbraw/zinc/53/08/62/945530862.db2.gz CMZBAURPDJTWQD-HUUCEWRRSA-N 1 3 321.469 0.646 20 0 DCADHO COc1nccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1F ZINC001247835797 945575911 /nfs/dbraw/zinc/57/59/11/945575911.db2.gz NJZYYMGTYCNXDK-SECBINFHSA-N 1 3 305.313 0.556 20 0 DCADHO COc1ccnc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1F ZINC001247839025 945576719 /nfs/dbraw/zinc/57/67/19/945576719.db2.gz ZHDBLEATVJHCIZ-QMMMGPOBSA-N 1 3 305.313 0.556 20 0 DCADHO COc1ncc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1C ZINC001247831887 945576756 /nfs/dbraw/zinc/57/67/56/945576756.db2.gz CAZKDBDCOHXKAW-LLVKDONJSA-N 1 3 301.350 0.725 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001273201007 945777919 /nfs/dbraw/zinc/77/79/19/945777919.db2.gz ACEIJJXAAMPZSU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC[C@H]2CCCO2)CCC1 ZINC001320236236 945780813 /nfs/dbraw/zinc/78/08/13/945780813.db2.gz XDKWEDCPAIXKGZ-ZIAGYGMSSA-N 1 3 313.442 0.107 20 0 DCADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl)N1CCCC1 ZINC001320255920 945788767 /nfs/dbraw/zinc/78/87/67/945788767.db2.gz BETHZAGPYUPFOD-FYJFLYSWSA-N 1 3 303.834 0.680 20 0 DCADHO C[C@@H](CC[NH2+]CCN1CCCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001320550112 945921920 /nfs/dbraw/zinc/92/19/20/945921920.db2.gz VICOUBASVPCZRK-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@H]3C2)CCC1 ZINC001410192113 946011415 /nfs/dbraw/zinc/01/14/15/946011415.db2.gz KOQUKZADADMAIG-RBSFLKMASA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@H]3C2)CCC1 ZINC001410192113 946011426 /nfs/dbraw/zinc/01/14/26/946011426.db2.gz KOQUKZADADMAIG-RBSFLKMASA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCO)C[C@@H]3C2)CCC1 ZINC001410192067 946012147 /nfs/dbraw/zinc/01/21/47/946012147.db2.gz KOQUKZADADMAIG-QLFBSQMISA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CCC1 ZINC001410192067 946012159 /nfs/dbraw/zinc/01/21/59/946012159.db2.gz KOQUKZADADMAIG-QLFBSQMISA-N 1 3 309.454 0.680 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001410249568 946092417 /nfs/dbraw/zinc/09/24/17/946092417.db2.gz HVAOEOUANHQARW-GJZGRUSLSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001410249568 946092422 /nfs/dbraw/zinc/09/24/22/946092422.db2.gz HVAOEOUANHQARW-GJZGRUSLSA-N 1 3 313.442 0.011 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC001253211186 946094915 /nfs/dbraw/zinc/09/49/15/946094915.db2.gz CRDFIUGQDXTMCW-LSDHHAIUSA-N 1 3 307.442 0.738 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)N(C)C)C1 ZINC001253212252 946098122 /nfs/dbraw/zinc/09/81/22/946098122.db2.gz GXLDOADGIUGPPT-KGLIPLIRSA-N 1 3 300.447 0.425 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001410257185 946101811 /nfs/dbraw/zinc/10/18/11/946101811.db2.gz YWBUNJSPJDNTDU-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCC1CCS(=O)(=O)CC1 ZINC001253405348 946115365 /nfs/dbraw/zinc/11/53/65/946115365.db2.gz WVGMLSOFOONTNG-ZDUSSCGKSA-N 1 3 306.472 0.540 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001321063567 946148612 /nfs/dbraw/zinc/14/86/12/946148612.db2.gz HQVXPKQPDDKPAF-SDCXRFKSSA-N 1 3 322.453 0.067 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001321253234 946238482 /nfs/dbraw/zinc/23/84/82/946238482.db2.gz UAONIUAMXUSINZ-LAWSMPECSA-N 1 3 320.441 0.368 20 0 DCADHO C[N@@H+]1CC[C@H](n2nc(C(=O)NC3CCC3)c3c2CCNC3)C1 ZINC001255433850 946505799 /nfs/dbraw/zinc/50/57/99/946505799.db2.gz KWOINKYMJMWVKF-LBPRGKRZSA-N 1 3 303.410 0.688 20 0 DCADHO C[N@H+]1CC[C@H](n2nc(C(=O)NC3CCC3)c3c2CCNC3)C1 ZINC001255433850 946505806 /nfs/dbraw/zinc/50/58/06/946505806.db2.gz KWOINKYMJMWVKF-LBPRGKRZSA-N 1 3 303.410 0.688 20 0 DCADHO CN(CCC[NH2+]Cc1cncn1C)C(=O)[C@@H]1CCCCN1C ZINC001322568006 946728721 /nfs/dbraw/zinc/72/87/21/946728721.db2.gz CEEYTYBXQBXILL-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CN(CCC[NH2+]Cc1ccnn1C)C(=O)[C@H]1CCCCN1C ZINC001322571830 946730383 /nfs/dbraw/zinc/73/03/83/946730383.db2.gz ZXXSEZVULJFTPG-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001322649563 946757963 /nfs/dbraw/zinc/75/79/63/946757963.db2.gz XRYQZBSHIQBMAW-CQSZACIVSA-N 1 3 322.457 0.639 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](CO)NCCC(F)(F)F)CC1 ZINC001410735412 946863295 /nfs/dbraw/zinc/86/32/95/946863295.db2.gz SZOVPRZPPUOCAB-NSHDSACASA-N 1 3 311.348 0.347 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001410844682 947019585 /nfs/dbraw/zinc/01/95/85/947019585.db2.gz JKIQSQJRQZEVKL-UONOGXRCSA-N 1 3 312.458 0.430 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001410938858 947151300 /nfs/dbraw/zinc/15/13/00/947151300.db2.gz IGPBUNWCTHNGJH-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)C(C)(C)C1 ZINC001410998348 947214126 /nfs/dbraw/zinc/21/41/26/947214126.db2.gz AVCSYAUWYQPZQO-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO COC(=O)[C@H](C)CN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273415346 947235823 /nfs/dbraw/zinc/23/58/23/947235823.db2.gz NZWPBMCIEPTZIL-CJNGLKHVSA-N 1 3 311.426 0.424 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001324225840 947357196 /nfs/dbraw/zinc/35/71/96/947357196.db2.gz MVYNQTDJZMTAEQ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2C)CC1 ZINC001262561937 947727111 /nfs/dbraw/zinc/72/71/11/947727111.db2.gz KUWOWWBFFYWTJH-QGZVFWFLSA-N 1 3 321.465 0.962 20 0 DCADHO [NH3+]C1CCN(CCNC(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC001262592266 947736359 /nfs/dbraw/zinc/73/63/59/947736359.db2.gz MCSGRIFDQHJRSY-HNNXBMFYSA-N 1 3 307.442 0.065 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179420504 947846032 /nfs/dbraw/zinc/84/60/32/947846032.db2.gz MLNGGRINJVAMDC-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NCC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001179472750 947849584 /nfs/dbraw/zinc/84/95/84/947849584.db2.gz WDSJTQIPYSUKQH-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001179617887 947877712 /nfs/dbraw/zinc/87/77/12/947877712.db2.gz VNPPJHRNWXHQIW-JSGCOSHPSA-N 1 3 310.398 0.194 20 0 DCADHO COCOCCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273468736 947910360 /nfs/dbraw/zinc/91/03/60/947910360.db2.gz YCHOBPKJHREFIQ-INIZCTEOSA-N 1 3 313.442 0.483 20 0 DCADHO COCOCCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273468736 947910366 /nfs/dbraw/zinc/91/03/66/947910366.db2.gz YCHOBPKJHREFIQ-INIZCTEOSA-N 1 3 313.442 0.483 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273610487 947979722 /nfs/dbraw/zinc/97/97/22/947979722.db2.gz OISBXBBIZGSUJU-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273610487 947979730 /nfs/dbraw/zinc/97/97/30/947979730.db2.gz OISBXBBIZGSUJU-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001273764402 948075206 /nfs/dbraw/zinc/07/52/06/948075206.db2.gz DWXUMTNUAHTZQI-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001488267095 948637576 /nfs/dbraw/zinc/63/75/76/948637576.db2.gz HAJLUIJYJNUHBT-TZMCWYRMSA-N 1 3 321.425 0.400 20 0 DCADHO CC[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001328386294 948868765 /nfs/dbraw/zinc/86/87/65/948868765.db2.gz PWZVBNVJFDTGNO-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCCNC1=O ZINC001265911993 950129440 /nfs/dbraw/zinc/12/94/40/950129440.db2.gz KXURESMYWRWORM-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001266041257 950294814 /nfs/dbraw/zinc/29/48/14/950294814.db2.gz RJKOADVRYPYBFM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCOCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001330427008 950386151 /nfs/dbraw/zinc/38/61/51/950386151.db2.gz IGFYPLIWCGIJEI-ZFWWWQNUSA-N 1 3 324.425 0.584 20 0 DCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001365192104 950702614 /nfs/dbraw/zinc/70/26/14/950702614.db2.gz DDUNYGFUNGWAKN-VNQPRFMTSA-N 1 3 309.454 0.942 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC[C@H](C)[NH3+])o1 ZINC001330871269 950724824 /nfs/dbraw/zinc/72/48/24/950724824.db2.gz RQAUVIINZLFJBG-LBPRGKRZSA-N 1 3 324.425 0.332 20 0 DCADHO CN(CC(=O)N[C@H]1CC12CC[NH+](CCCO)CC2)C1CCC1 ZINC001490596590 950917948 /nfs/dbraw/zinc/91/79/48/950917948.db2.gz ZAXUCMBIXGTYAF-HNNXBMFYSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001365846348 951610115 /nfs/dbraw/zinc/61/01/15/951610115.db2.gz DDKHGDDVBAFXHP-IHRRRGAJSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCn1cncn1 ZINC001365869863 951633891 /nfs/dbraw/zinc/63/38/91/951633891.db2.gz SZTQXMILUPIFAZ-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001274481213 951657080 /nfs/dbraw/zinc/65/70/80/951657080.db2.gz FLYLTKLHMCCYRZ-GJBLVYBDSA-N 1 3 324.469 0.503 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001274609471 951733558 /nfs/dbraw/zinc/73/35/58/951733558.db2.gz KZLIQYZEUMHGSE-UUSXEQNQSA-N 1 3 308.426 0.011 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001274609471 951733564 /nfs/dbraw/zinc/73/35/64/951733564.db2.gz KZLIQYZEUMHGSE-UUSXEQNQSA-N 1 3 308.426 0.011 20 0 DCADHO C[C@@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446933511 1013112383 /nfs/dbraw/zinc/11/23/83/1013112383.db2.gz IJXKLAQZEOAUBK-OLZOCXBDSA-N 1 3 308.430 0.093 20 0 DCADHO C[NH+](C)CCN1CCC2(CN(Cc3c[nH]c4ncncc34)C2)C1 ZINC001275541522 952242831 /nfs/dbraw/zinc/24/28/31/952242831.db2.gz YMXZLVOYEJQAER-UHFFFAOYSA-N 1 3 314.437 0.979 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001412208083 952695072 /nfs/dbraw/zinc/69/50/72/952695072.db2.gz MOIRTXQVXBYRNU-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001412208083 952695074 /nfs/dbraw/zinc/69/50/74/952695074.db2.gz MOIRTXQVXBYRNU-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)CN(C)C2CC2)C[C@@H](C)O1 ZINC001336764486 952761964 /nfs/dbraw/zinc/76/19/64/952761964.db2.gz YKZNEBGDYMZYMT-BFYDXBDKSA-N 1 3 313.486 0.921 20 0 DCADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)NC1CCCCC1 ZINC001336812344 952769664 /nfs/dbraw/zinc/76/96/64/952769664.db2.gz YAFSWPZCNXBTQV-HNNXBMFYSA-N 1 3 312.458 0.665 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001336825687 952771816 /nfs/dbraw/zinc/77/18/16/952771816.db2.gz GHZVQFPFUQKOIT-RDJZCZTQSA-N 1 3 323.485 0.455 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001412690662 952998937 /nfs/dbraw/zinc/99/89/37/952998937.db2.gz GOMQVLZRDWRXEN-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)CCN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)C1CCCC1 ZINC001341804073 953251265 /nfs/dbraw/zinc/25/12/65/953251265.db2.gz ASSUQRFANXSRSE-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001342274525 953280574 /nfs/dbraw/zinc/28/05/74/953280574.db2.gz SGVIAPVEFBWQHR-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CN[C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001366061862 953635660 /nfs/dbraw/zinc/63/56/60/953635660.db2.gz LQDXBWMXTHZGAY-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCCC1)C1CC1)N(C)C ZINC001366063624 953638796 /nfs/dbraw/zinc/63/87/96/953638796.db2.gz XBJCILQNWGXTTL-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366079325 953657032 /nfs/dbraw/zinc/65/70/32/953657032.db2.gz PFOYHDSRFWKOPL-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366079325 953657040 /nfs/dbraw/zinc/65/70/40/953657040.db2.gz PFOYHDSRFWKOPL-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001366095944 953677280 /nfs/dbraw/zinc/67/72/80/953677280.db2.gz ZPBBAVFZAVBSEA-ZFWWWQNUSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366098147 953681887 /nfs/dbraw/zinc/68/18/87/953681887.db2.gz LTGPVANSAIYBMM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001366113330 953703001 /nfs/dbraw/zinc/70/30/01/953703001.db2.gz LJHLGNJKQVWAQK-MGPQQGTHSA-N 1 3 322.453 0.328 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC001346181977 953816020 /nfs/dbraw/zinc/81/60/20/953816020.db2.gz TVGWKTOKSNOUIP-ROUUACIJSA-N 1 3 321.465 0.698 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001366214080 953833628 /nfs/dbraw/zinc/83/36/28/953833628.db2.gz CKAINXKBIKJKSN-CQSZACIVSA-N 1 3 322.457 0.720 20 0 DCADHO CC[C@@H](C(=O)NC1CCC([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001366239807 953881230 /nfs/dbraw/zinc/88/12/30/953881230.db2.gz DVYSBUMNJWRGDT-ZALBZXLWSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001283041961 953947527 /nfs/dbraw/zinc/94/75/27/953947527.db2.gz YCDIUJOWQYFWDM-MCIONIFRSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001283041961 953947533 /nfs/dbraw/zinc/94/75/33/953947533.db2.gz YCDIUJOWQYFWDM-MCIONIFRSA-N 1 3 312.458 0.145 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366286111 953960391 /nfs/dbraw/zinc/96/03/91/953960391.db2.gz IFEKAYBDJTTWFO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001283057546 953962548 /nfs/dbraw/zinc/96/25/48/953962548.db2.gz DTTQHPXILPNFQY-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001283057546 953962557 /nfs/dbraw/zinc/96/25/57/953962557.db2.gz DTTQHPXILPNFQY-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001283079689 953986623 /nfs/dbraw/zinc/98/66/23/953986623.db2.gz IQYKPNSRKMRUKQ-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1 ZINC001283111326 954019563 /nfs/dbraw/zinc/01/95/63/954019563.db2.gz OXLYZEJPFPYGBI-HDJSIYSDSA-N 1 3 308.430 0.103 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cncn1C ZINC001366363542 954101474 /nfs/dbraw/zinc/10/14/74/954101474.db2.gz LHZZCFVADULFIS-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001366367291 954106212 /nfs/dbraw/zinc/10/62/12/954106212.db2.gz NYTVMHSFMRKSPP-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001366389803 954140602 /nfs/dbraw/zinc/14/06/02/954140602.db2.gz HWWQZYSBSZDNNH-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001366481506 954259626 /nfs/dbraw/zinc/25/96/26/954259626.db2.gz YLZHVFKWDKAOIX-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nccnc1CN[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001366508808 954297588 /nfs/dbraw/zinc/29/75/88/954297588.db2.gz MUHPIMQMLAHDHU-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CN[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366508808 954297596 /nfs/dbraw/zinc/29/75/96/954297596.db2.gz MUHPIMQMLAHDHU-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO COC[C@H](O)CN(C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001366571372 954442691 /nfs/dbraw/zinc/44/26/91/954442691.db2.gz QXZQZWOECNUFFU-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)CCc1ccnn1C ZINC001366592259 954475138 /nfs/dbraw/zinc/47/51/38/954475138.db2.gz LODXNXLGVACOAP-GASCZTMLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)CCc1ccnn1C ZINC001366592259 954475143 /nfs/dbraw/zinc/47/51/43/954475143.db2.gz LODXNXLGVACOAP-GASCZTMLSA-N 1 3 321.469 0.883 20 0 DCADHO CCN(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001366632040 954550529 /nfs/dbraw/zinc/55/05/29/954550529.db2.gz MFIGVDBOTBXCCN-SJORKVTESA-N 1 3 319.449 0.762 20 0 DCADHO CCN(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001366632040 954550533 /nfs/dbraw/zinc/55/05/33/954550533.db2.gz MFIGVDBOTBXCCN-SJORKVTESA-N 1 3 319.449 0.762 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2CCn2cccn2)C1 ZINC001366665649 954612034 /nfs/dbraw/zinc/61/20/34/954612034.db2.gz FUUSJQDJOAMQLI-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2CCn2cccn2)C1 ZINC001366665649 954612040 /nfs/dbraw/zinc/61/20/40/954612040.db2.gz FUUSJQDJOAMQLI-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001349820425 954897378 /nfs/dbraw/zinc/89/73/78/954897378.db2.gz GLPZFMGNBJTDBM-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366833232 954905423 /nfs/dbraw/zinc/90/54/23/954905423.db2.gz JFZWCCVITOXEOM-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001367061526 955277676 /nfs/dbraw/zinc/27/76/76/955277676.db2.gz RCQMZORETKMYRX-ZIAGYGMSSA-N 1 3 320.441 0.250 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001351740085 955396031 /nfs/dbraw/zinc/39/60/31/955396031.db2.gz JCMCEDKZNHORID-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001351740085 955396047 /nfs/dbraw/zinc/39/60/47/955396047.db2.gz JCMCEDKZNHORID-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)NC ZINC001367146901 955399202 /nfs/dbraw/zinc/39/92/02/955399202.db2.gz BWANYQXXJDSKAU-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367286648 955590121 /nfs/dbraw/zinc/59/01/21/955590121.db2.gz ILDOTSJEZGKIKH-NWDGAFQWSA-N 1 3 311.455 0.722 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367286648 955590127 /nfs/dbraw/zinc/59/01/27/955590127.db2.gz ILDOTSJEZGKIKH-NWDGAFQWSA-N 1 3 311.455 0.722 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cncn1C)N(C)C ZINC001367288105 955593198 /nfs/dbraw/zinc/59/31/98/955593198.db2.gz NEKSAGWTJDXVKT-DZGCQCFKSA-N 1 3 309.458 0.848 20 0 DCADHO CC[C@@H]([NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1)C(N)=O ZINC001367325495 955647658 /nfs/dbraw/zinc/64/76/58/955647658.db2.gz WJWVBCQKHWEHAH-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001446959371 1013140278 /nfs/dbraw/zinc/14/02/78/1013140278.db2.gz UZHCIBNQDYDCSI-QDMKHBRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001294322929 957513815 /nfs/dbraw/zinc/51/38/15/957513815.db2.gz CGMKIUNXYFWBHJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001294322929 957513817 /nfs/dbraw/zinc/51/38/17/957513817.db2.gz CGMKIUNXYFWBHJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCn1nncc1CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367387562 957754811 /nfs/dbraw/zinc/75/48/11/957754811.db2.gz VQLYCKBFGDVUNK-KGLIPLIRSA-N 1 3 322.457 0.576 20 0 DCADHO CCn1nncc1CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367387562 957754814 /nfs/dbraw/zinc/75/48/14/957754814.db2.gz VQLYCKBFGDVUNK-KGLIPLIRSA-N 1 3 322.457 0.576 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001367404997 957777078 /nfs/dbraw/zinc/77/70/78/957777078.db2.gz MRHYGGQWWNBPQX-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001367494067 957897805 /nfs/dbraw/zinc/89/78/05/957897805.db2.gz QOQFOMWLKBVVLJ-KBPBESRZSA-N 1 3 312.458 0.288 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001367640217 958244785 /nfs/dbraw/zinc/24/47/85/958244785.db2.gz BRBOWTMYGAFDCE-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367653001 958278306 /nfs/dbraw/zinc/27/83/06/958278306.db2.gz FYPIPTREZQOUFO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001367653001 958278319 /nfs/dbraw/zinc/27/83/19/958278319.db2.gz FYPIPTREZQOUFO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)Cc2cn(C)nc2C)nn1C ZINC001367674554 958330259 /nfs/dbraw/zinc/33/02/59/958330259.db2.gz DEHNTBHSTPPTJM-LLVKDONJSA-N 1 3 318.425 0.607 20 0 DCADHO Cc1cccc(OCCC(=O)N[C@H](C)C[NH2+]CC(N)=O)c1C ZINC001367674511 958332700 /nfs/dbraw/zinc/33/27/00/958332700.db2.gz HYJKCJSABQRAJK-GFCCVEGCSA-N 1 3 307.394 0.652 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298313079 958539523 /nfs/dbraw/zinc/53/95/23/958539523.db2.gz SQKPGKPBXKLDEG-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298313079 958539529 /nfs/dbraw/zinc/53/95/29/958539529.db2.gz SQKPGKPBXKLDEG-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)NC ZINC001367872299 958748972 /nfs/dbraw/zinc/74/89/72/958748972.db2.gz ZIHYYQAGKXUTTM-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)cn1 ZINC001367912110 958847608 /nfs/dbraw/zinc/84/76/08/958847608.db2.gz VMLOMIVGFAEXSD-HNNXBMFYSA-N 1 3 319.453 0.746 20 0 DCADHO CCn1nncc1CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367924295 958873371 /nfs/dbraw/zinc/87/33/71/958873371.db2.gz MWPVNZSPNBNARD-DZGCQCFKSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367924295 958873385 /nfs/dbraw/zinc/87/33/85/958873385.db2.gz MWPVNZSPNBNARD-DZGCQCFKSA-N 1 3 320.441 0.234 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)CC1CC1 ZINC001491579363 958874087 /nfs/dbraw/zinc/87/40/87/958874087.db2.gz LEFPYNVMLMPBJI-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001376914905 959128705 /nfs/dbraw/zinc/12/87/05/959128705.db2.gz OUMZHSBEYZMQEN-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)cn1 ZINC001376967125 959221333 /nfs/dbraw/zinc/22/13/33/959221333.db2.gz IDESIYNMHDVUFZ-INIZCTEOSA-N 1 3 319.453 0.987 20 0 DCADHO CCc1nc([C@@H](C)NC[C@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001368111682 959261682 /nfs/dbraw/zinc/26/16/82/959261682.db2.gz WPPOTDSNAWAZAU-CHWSQXEVSA-N 1 3 322.457 0.960 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001368129429 959296213 /nfs/dbraw/zinc/29/62/13/959296213.db2.gz VXWPCYRBWXHHGY-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001368129429 959296224 /nfs/dbraw/zinc/29/62/24/959296224.db2.gz VXWPCYRBWXHHGY-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccnn1C ZINC001377067644 959423585 /nfs/dbraw/zinc/42/35/85/959423585.db2.gz OSSFMCMTVWWXBK-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001377089997 959452836 /nfs/dbraw/zinc/45/28/36/959452836.db2.gz COAFYBCPZUHTLC-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)NCc1ccn(C)n1 ZINC001377102788 959471560 /nfs/dbraw/zinc/47/15/60/959471560.db2.gz QCTVHFSGMPAQGV-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1C ZINC001492128595 959610083 /nfs/dbraw/zinc/61/00/83/959610083.db2.gz YGUDVGQJTHBXLI-GXTWGEPZSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001492128595 959610095 /nfs/dbraw/zinc/61/00/95/959610095.db2.gz YGUDVGQJTHBXLI-GXTWGEPZSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@@H](NCc1nncn1C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368332702 959690771 /nfs/dbraw/zinc/69/07/71/959690771.db2.gz JDMMYBSOTAARAN-CHWSQXEVSA-N 1 3 308.430 0.093 20 0 DCADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001377225516 959734091 /nfs/dbraw/zinc/73/40/91/959734091.db2.gz AORGDOCETBFYLQ-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001377225516 959734103 /nfs/dbraw/zinc/73/41/03/959734103.db2.gz AORGDOCETBFYLQ-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001368459960 959894630 /nfs/dbraw/zinc/89/46/30/959894630.db2.gz OMZNBJVNPLHFJL-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001368485642 959929927 /nfs/dbraw/zinc/92/99/27/959929927.db2.gz ICFKNGKZLRAWDX-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001368502584 959947579 /nfs/dbraw/zinc/94/75/79/959947579.db2.gz WOMDJEDKVRFIJE-ZNMIVQPWSA-N 1 3 307.442 0.708 20 0 DCADHO CC[C@H](C(=O)N1CCC(CC)([NH2+]CC(=O)NC)CC1)N(C)C ZINC001368597529 960070300 /nfs/dbraw/zinc/07/03/00/960070300.db2.gz DNVJOPPCTFVZMD-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC(N)=O)CC1 ZINC001368608913 960083148 /nfs/dbraw/zinc/08/31/48/960083148.db2.gz SHMZRPMVQKBILY-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H](C)C1 ZINC001368653742 960125897 /nfs/dbraw/zinc/12/58/97/960125897.db2.gz GPAGQHVRCBKUKR-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001368655272 960128455 /nfs/dbraw/zinc/12/84/55/960128455.db2.gz CNJSZYRFVHMSMC-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001368660117 960132500 /nfs/dbraw/zinc/13/25/00/960132500.db2.gz WPCDNHRHKWMIOD-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001368753046 960229027 /nfs/dbraw/zinc/22/90/27/960229027.db2.gz ZCIBNUUGFWSGID-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2nc(C)no2)C1)N(C)C ZINC001317061200 960341506 /nfs/dbraw/zinc/34/15/06/960341506.db2.gz XBYWOSUGMHRJOY-UONOGXRCSA-N 1 3 323.441 0.841 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC001377607301 960351798 /nfs/dbraw/zinc/35/17/98/960351798.db2.gz HQAAGVQZFMOTCE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC001377607301 960351809 /nfs/dbraw/zinc/35/18/09/960351809.db2.gz HQAAGVQZFMOTCE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001377615624 960355251 /nfs/dbraw/zinc/35/52/51/960355251.db2.gz KGWUXOOPQVXEQM-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCO)C1CCC1 ZINC001377618492 960359480 /nfs/dbraw/zinc/35/94/80/960359480.db2.gz JIQZHLGUSZYXAN-SJLPKXTDSA-N 1 3 317.433 0.835 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001377718908 960496215 /nfs/dbraw/zinc/49/62/15/960496215.db2.gz PGCGOCCINAPHEV-WLYUNCDWSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCNC3=O)CC2)CCC1 ZINC001378443415 960764869 /nfs/dbraw/zinc/76/48/69/960764869.db2.gz UIZVBJHMCBQEMM-MGPQQGTHSA-N 1 3 322.453 0.376 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCNC3=O)CC2)CCC1 ZINC001378443413 960765113 /nfs/dbraw/zinc/76/51/13/960765113.db2.gz UIZVBJHMCBQEMM-IHRRRGAJSA-N 1 3 322.453 0.376 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001378510758 960902943 /nfs/dbraw/zinc/90/29/43/960902943.db2.gz HAQRMMXVYKDAPK-LJISPDSOSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001378510758 960902954 /nfs/dbraw/zinc/90/29/54/960902954.db2.gz HAQRMMXVYKDAPK-LJISPDSOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)N1CCC1 ZINC001378577072 961056872 /nfs/dbraw/zinc/05/68/72/961056872.db2.gz ZCNAFYFQCJDFFP-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001447068307 1013233760 /nfs/dbraw/zinc/23/37/60/1013233760.db2.gz VSPYGZDTXSEECT-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001549047060 1013239141 /nfs/dbraw/zinc/23/91/41/1013239141.db2.gz GAKSUPYVQHWDCS-NQBHXWOUSA-N 1 3 305.369 0.714 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001378781650 961465613 /nfs/dbraw/zinc/46/56/13/961465613.db2.gz QQKQJGCCQTZXBT-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nccn1C ZINC001378918807 961707369 /nfs/dbraw/zinc/70/73/69/961707369.db2.gz SGHCBKXPCNQLLD-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H](CNC(=O)CC[NH+](C)C)C(C)C)n[nH]1 ZINC001378992707 961824488 /nfs/dbraw/zinc/82/44/88/961824488.db2.gz RESVREMRASGHKF-YPMHNXCESA-N 1 3 310.446 0.856 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001379056087 961986384 /nfs/dbraw/zinc/98/63/84/961986384.db2.gz LMBSGLYKXMDBFU-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@H](O)CNCc1ccns1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379854536 962148864 /nfs/dbraw/zinc/14/88/64/962148864.db2.gz AILALZKJIOKIGD-NWDGAFQWSA-N 1 3 312.439 0.004 20 0 DCADHO CN(C[C@H](O)CNCc1ccns1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379854536 962148872 /nfs/dbraw/zinc/14/88/72/962148872.db2.gz AILALZKJIOKIGD-NWDGAFQWSA-N 1 3 312.439 0.004 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001379854925 962150458 /nfs/dbraw/zinc/15/04/58/962150458.db2.gz IDMHOBSGDSYKIT-KBPBESRZSA-N 1 3 310.442 0.090 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NC)C1 ZINC001379145974 962195024 /nfs/dbraw/zinc/19/50/24/962195024.db2.gz DLAVPXNUBJIPBK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NC)C1 ZINC001379145974 962195034 /nfs/dbraw/zinc/19/50/34/962195034.db2.gz DLAVPXNUBJIPBK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC001430302181 1013334092 /nfs/dbraw/zinc/33/40/92/1013334092.db2.gz YTGHYZTVNMFVEL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC(C)CC2)C1 ZINC001430302181 1013334100 /nfs/dbraw/zinc/33/41/00/1013334100.db2.gz YTGHYZTVNMFVEL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001379308589 962594747 /nfs/dbraw/zinc/59/47/47/962594747.db2.gz UTAGUAYSHYFMBG-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001379308589 962594754 /nfs/dbraw/zinc/59/47/54/962594754.db2.gz UTAGUAYSHYFMBG-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001379324343 962625337 /nfs/dbraw/zinc/62/53/37/962625337.db2.gz KQJBGTFKZMIIOM-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001379382809 962783212 /nfs/dbraw/zinc/78/32/12/962783212.db2.gz QTNDWBZDYFASBM-TZMCWYRMSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001379382809 962783226 /nfs/dbraw/zinc/78/32/26/962783226.db2.gz QTNDWBZDYFASBM-TZMCWYRMSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001380160191 962795723 /nfs/dbraw/zinc/79/57/23/962795723.db2.gz RBDJXBKKVWOTKZ-OCCSQVGLSA-N 1 3 324.469 0.478 20 0 DCADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001364318164 962885262 /nfs/dbraw/zinc/88/52/62/962885262.db2.gz VWCUPPGZYZIICI-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001364318164 962885288 /nfs/dbraw/zinc/88/52/88/962885288.db2.gz VWCUPPGZYZIICI-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001380284453 962989110 /nfs/dbraw/zinc/98/91/10/962989110.db2.gz JNJWQUBRSOBSQK-RRFJBIMHSA-N 1 3 315.458 0.161 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@H]2CCN(C)C2=O)C1 ZINC001447356527 1013393837 /nfs/dbraw/zinc/39/38/37/1013393837.db2.gz RKVDHPFPSOHCIQ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@H]2CCN(C)C2=O)C1 ZINC001447356527 1013393850 /nfs/dbraw/zinc/39/38/50/1013393850.db2.gz RKVDHPFPSOHCIQ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001379504899 963083455 /nfs/dbraw/zinc/08/34/55/963083455.db2.gz ATGKMLWAXMIOQJ-JSGCOSHPSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001379504899 963083468 /nfs/dbraw/zinc/08/34/68/963083468.db2.gz ATGKMLWAXMIOQJ-JSGCOSHPSA-N 1 3 310.442 0.232 20 0 DCADHO CN(CCC[N@H+](C)CCc1ccnn1C)C(=O)Cc1c[nH]cn1 ZINC001447361920 1013396949 /nfs/dbraw/zinc/39/69/49/1013396949.db2.gz WFJPCSBCNGTGRD-UHFFFAOYSA-N 1 3 318.425 0.709 20 0 DCADHO CN(CCC[N@@H+](C)CCc1ccnn1C)C(=O)Cc1c[nH]cn1 ZINC001447361920 1013396959 /nfs/dbraw/zinc/39/69/59/1013396959.db2.gz WFJPCSBCNGTGRD-UHFFFAOYSA-N 1 3 318.425 0.709 20 0 DCADHO CCCC[C@@H](C(N)=O)N1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380378226 963128688 /nfs/dbraw/zinc/12/86/88/963128688.db2.gz PJGPJEGTWPPDGE-WMLDXEAASA-N 1 3 324.469 0.707 20 0 DCADHO CCN(C(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001379609759 963262047 /nfs/dbraw/zinc/26/20/47/963262047.db2.gz XWBROCYSLCKLDA-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001380692707 963494729 /nfs/dbraw/zinc/49/47/29/963494729.db2.gz UUMSTOQYGRVIIL-QWHCGFSZSA-N 1 3 312.458 0.134 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001380703425 963507122 /nfs/dbraw/zinc/50/71/22/963507122.db2.gz JNWLLTXNMMUKNM-KFWWJZLASA-N 1 3 311.470 0.735 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001380703425 963507127 /nfs/dbraw/zinc/50/71/27/963507127.db2.gz JNWLLTXNMMUKNM-KFWWJZLASA-N 1 3 311.470 0.735 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001381106111 963819380 /nfs/dbraw/zinc/81/93/80/963819380.db2.gz SWIKYIGDBLQBJM-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC001381108282 963821358 /nfs/dbraw/zinc/82/13/58/963821358.db2.gz NCGZMSHHFIXENJ-ZFWWWQNUSA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)[C@@H](C)C1 ZINC001381111661 963823098 /nfs/dbraw/zinc/82/30/98/963823098.db2.gz UDYVFQIYUIEBOP-JSGCOSHPSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cnns1 ZINC001381194819 963883581 /nfs/dbraw/zinc/88/35/81/963883581.db2.gz HROLSOGTBGIKLR-DMDPSCGWSA-N 1 3 311.455 0.863 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cnns1 ZINC001381194819 963883587 /nfs/dbraw/zinc/88/35/87/963883587.db2.gz HROLSOGTBGIKLR-DMDPSCGWSA-N 1 3 311.455 0.863 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1ccnn1C ZINC001381383715 964037715 /nfs/dbraw/zinc/03/77/15/964037715.db2.gz FLJKBDMCRAFPKL-UONOGXRCSA-N 1 3 321.469 0.930 20 0 DCADHO Cn1ccnc1CNC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001375247391 964171604 /nfs/dbraw/zinc/17/16/04/964171604.db2.gz VVTYXIGIGAGUMF-LSDHHAIUSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CNC[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001375247391 964171611 /nfs/dbraw/zinc/17/16/11/964171611.db2.gz VVTYXIGIGAGUMF-LSDHHAIUSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001447583142 1013475597 /nfs/dbraw/zinc/47/55/97/1013475597.db2.gz VVLDGJNXJUOMRL-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@H]1CCNC1=O ZINC001369038244 964328636 /nfs/dbraw/zinc/32/86/36/964328636.db2.gz JZECIPLRNUDCTO-KBPBESRZSA-N 1 3 321.425 0.303 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001369161315 964471397 /nfs/dbraw/zinc/47/13/97/964471397.db2.gz BVPGNUAZLXYNCR-XDQVBPFNSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001375558382 964551176 /nfs/dbraw/zinc/55/11/76/964551176.db2.gz SNULRHLRDLCOTI-DZKIICNBSA-N 1 3 321.469 0.787 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001375584496 964575333 /nfs/dbraw/zinc/57/53/33/964575333.db2.gz XTKATWPRPDSFSJ-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCCNC1=O ZINC001369298233 964678658 /nfs/dbraw/zinc/67/86/58/964678658.db2.gz RTWWQSUZYHIPPF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCCNC1=O ZINC001369298233 964678664 /nfs/dbraw/zinc/67/86/64/964678664.db2.gz RTWWQSUZYHIPPF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001369301851 964685825 /nfs/dbraw/zinc/68/58/25/964685825.db2.gz AZJDSVLWXOICFT-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001373923260 964788099 /nfs/dbraw/zinc/78/80/99/964788099.db2.gz HPHPEAMUFWWVDW-IHRRRGAJSA-N 1 3 324.425 0.285 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)NC)CC1)N(C)C ZINC001373924789 964788429 /nfs/dbraw/zinc/78/84/29/964788429.db2.gz ZPIKYSMIHXVRBA-XDQVBPFNSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001369368297 964839107 /nfs/dbraw/zinc/83/91/07/964839107.db2.gz FVQMKQOGMFQXSY-STQMWFEESA-N 1 3 321.412 0.685 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C[C@@H]1C ZINC001369406084 964920878 /nfs/dbraw/zinc/92/08/78/964920878.db2.gz RCFBZAFFJJEAOB-GJZGRUSLSA-N 1 3 321.469 0.883 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)n[nH]1 ZINC001369431934 964965253 /nfs/dbraw/zinc/96/52/53/964965253.db2.gz CDTXLQOANAYSEV-YPMHNXCESA-N 1 3 322.457 0.952 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001369445677 964989311 /nfs/dbraw/zinc/98/93/11/964989311.db2.gz MXJAMTCOVUYALE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)cn1)N(C)C ZINC001374095941 965006876 /nfs/dbraw/zinc/00/68/76/965006876.db2.gz DUSAYXGRPQWAIB-IUODEOHRSA-N 1 3 307.442 0.967 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1)N(C)C ZINC001376086991 965174959 /nfs/dbraw/zinc/17/49/59/965174959.db2.gz CANMFSQFSHNAJS-ZFWWWQNUSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1)N(C)C ZINC001376086991 965174967 /nfs/dbraw/zinc/17/49/67/965174967.db2.gz CANMFSQFSHNAJS-ZFWWWQNUSA-N 1 3 303.422 0.485 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CCN([C@H]2CCN(C)C2=O)CC1 ZINC001369562106 965176112 /nfs/dbraw/zinc/17/61/12/965176112.db2.gz ZDIMCGUEBLXJTF-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001369573573 965184232 /nfs/dbraw/zinc/18/42/32/965184232.db2.gz FIQFQBUQVUFONN-ZBCRRDGASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001374390159 965332255 /nfs/dbraw/zinc/33/22/55/965332255.db2.gz WKWVEYVMQHPJNV-TZMCWYRMSA-N 1 3 321.425 0.303 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001430552693 1013578496 /nfs/dbraw/zinc/57/84/96/1013578496.db2.gz PJMKJZXDNISRCZ-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001376262658 965451397 /nfs/dbraw/zinc/45/13/97/965451397.db2.gz PDQLHRIEYULSIY-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001376262658 965451405 /nfs/dbraw/zinc/45/14/05/965451405.db2.gz PDQLHRIEYULSIY-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](CNC(=O)CN(C)C(C)C)C2CC2)C1=O ZINC001376284189 965477924 /nfs/dbraw/zinc/47/79/24/965477924.db2.gz ZQIMTJCRFXEWIG-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001430552693 1013578491 /nfs/dbraw/zinc/57/84/91/1013578491.db2.gz PJMKJZXDNISRCZ-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001374562113 965539883 /nfs/dbraw/zinc/53/98/83/965539883.db2.gz OCXUPGMHTRCOLJ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)N(C)C)C1 ZINC001374562113 965539893 /nfs/dbraw/zinc/53/98/93/965539893.db2.gz OCXUPGMHTRCOLJ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001376385661 965598764 /nfs/dbraw/zinc/59/87/64/965598764.db2.gz BJPIVOOBEJRDEB-MGPQQGTHSA-N 1 3 308.430 0.101 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001376416308 965632337 /nfs/dbraw/zinc/63/23/37/965632337.db2.gz VJHCYGJCOJWJNT-SOUVJXGZSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001376416308 965632344 /nfs/dbraw/zinc/63/23/44/965632344.db2.gz VJHCYGJCOJWJNT-SOUVJXGZSA-N 1 3 324.469 0.194 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001376492636 965733072 /nfs/dbraw/zinc/73/30/72/965733072.db2.gz DRUWCUKQNXKZQM-GASCZTMLSA-N 1 3 307.442 0.807 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001374757351 965874042 /nfs/dbraw/zinc/87/40/42/965874042.db2.gz SPZAGXQSCHNGND-MFKMUULPSA-N 1 3 306.414 0.049 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccnn1C ZINC001447872732 1013614369 /nfs/dbraw/zinc/61/43/69/1013614369.db2.gz SFZMAGTXHOQHDV-CHWSQXEVSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001447872735 1013614390 /nfs/dbraw/zinc/61/43/90/1013614390.db2.gz SFZMAGTXHOQHDV-STQMWFEESA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNCC(=O)N1CCC(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374843236 966016437 /nfs/dbraw/zinc/01/64/37/966016437.db2.gz STQVLIWFSPBSCB-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)N1CCC(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374843236 966016452 /nfs/dbraw/zinc/01/64/52/966016452.db2.gz STQVLIWFSPBSCB-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001370407720 966092727 /nfs/dbraw/zinc/09/27/27/966092727.db2.gz GXIMAVHJVCJJGN-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NCC1CCC1 ZINC001376743846 966105379 /nfs/dbraw/zinc/10/53/79/966105379.db2.gz GTIGUKCIRQUAJE-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001374895274 966107243 /nfs/dbraw/zinc/10/72/43/966107243.db2.gz RICHTEDIFSRYFG-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001376748850 966112571 /nfs/dbraw/zinc/11/25/71/966112571.db2.gz RZRCTHBCQLSSOS-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001376748850 966112579 /nfs/dbraw/zinc/11/25/79/966112579.db2.gz RZRCTHBCQLSSOS-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001370432786 966115631 /nfs/dbraw/zinc/11/56/31/966115631.db2.gz XUGALFJSOHZANC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001376752496 966117572 /nfs/dbraw/zinc/11/75/72/966117572.db2.gz SEVXRMBFBSPXFC-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1)N(C)C ZINC001370518934 966207196 /nfs/dbraw/zinc/20/71/96/966207196.db2.gz DWOZEPOKXRZKDV-NGFQHRJXSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001370619409 966290858 /nfs/dbraw/zinc/29/08/58/966290858.db2.gz VESZAHVNCIAKIR-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001370927145 966594599 /nfs/dbraw/zinc/59/45/99/966594599.db2.gz FYXOEBCFXQLGJL-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001370927145 966594608 /nfs/dbraw/zinc/59/46/08/966594608.db2.gz FYXOEBCFXQLGJL-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CC(C)(C)C[NH2+][C@H]1CCCNC1=O)C(=O)Cc1c[nH]cn1 ZINC001447970685 1013675626 /nfs/dbraw/zinc/67/56/26/1013675626.db2.gz JQUCTAMFESWVRP-ZDUSSCGKSA-N 1 3 321.425 0.305 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001382014228 966866874 /nfs/dbraw/zinc/86/68/74/966866874.db2.gz POYHJFYUGCJBOM-MQMHXKEQSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC/C=C\Cl ZINC001371397633 966963032 /nfs/dbraw/zinc/96/30/32/966963032.db2.gz WRORZMROOWJHCP-GCLPIYDQSA-N 1 3 303.834 0.944 20 0 DCADHO C[C@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+][C@H](C)C(N)=O ZINC001382160357 966992454 /nfs/dbraw/zinc/99/24/54/966992454.db2.gz AKQPHBZBZPOMDZ-CHWSQXEVSA-N 1 3 320.437 0.672 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001371534189 967089391 /nfs/dbraw/zinc/08/93/91/967089391.db2.gz VUOZLDIENLMLGG-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001371534189 967089398 /nfs/dbraw/zinc/08/93/98/967089398.db2.gz VUOZLDIENLMLGG-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001371545403 967105805 /nfs/dbraw/zinc/10/58/05/967105805.db2.gz XTCSJZPVNNBIHT-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@H]1C ZINC001382300678 967185471 /nfs/dbraw/zinc/18/54/71/967185471.db2.gz CVKBEUOAHOCYRL-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@H]1C ZINC001382300678 967185478 /nfs/dbraw/zinc/18/54/78/967185478.db2.gz CVKBEUOAHOCYRL-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C[C@@H]1C ZINC001382307225 967194840 /nfs/dbraw/zinc/19/48/40/967194840.db2.gz FFOSYGPKPWZVBO-HOCLYGCPSA-N 1 3 321.469 0.882 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC2CC2)C[C@H]1C ZINC001382318429 967214258 /nfs/dbraw/zinc/21/42/58/967214258.db2.gz SBBOEDAARSSUFT-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC001382378902 967293255 /nfs/dbraw/zinc/29/32/55/967293255.db2.gz PJFKPODEHMXIDH-ZDUSSCGKSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC001382378902 967293265 /nfs/dbraw/zinc/29/32/65/967293265.db2.gz PJFKPODEHMXIDH-ZDUSSCGKSA-N 1 3 322.457 0.782 20 0 DCADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H](C)C(N)=O ZINC001371765780 967322277 /nfs/dbraw/zinc/32/22/77/967322277.db2.gz WNIFGIDORYCPMW-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1cnn(C)c1 ZINC001371965401 967495193 /nfs/dbraw/zinc/49/51/93/967495193.db2.gz UJHOKVCYZUNPPH-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1cnn(C)c1 ZINC001371965401 967495197 /nfs/dbraw/zinc/49/51/97/967495197.db2.gz UJHOKVCYZUNPPH-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@H]1CCCCO1 ZINC001371967268 967497497 /nfs/dbraw/zinc/49/74/97/967497497.db2.gz ABSNXHOYBWFTTF-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382798180 967673026 /nfs/dbraw/zinc/67/30/26/967673026.db2.gz YYNMWIQHFYGJHD-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001372689271 968257650 /nfs/dbraw/zinc/25/76/50/968257650.db2.gz ZCZKYWHXIHKTGJ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001372689271 968257658 /nfs/dbraw/zinc/25/76/58/968257658.db2.gz ZCZKYWHXIHKTGJ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001448168733 1013797570 /nfs/dbraw/zinc/79/75/70/1013797570.db2.gz GKNHRQMUDXIXFH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001372914154 968524824 /nfs/dbraw/zinc/52/48/24/968524824.db2.gz FZAHVZSKYHSXSN-MCIONIFRSA-N 1 3 314.474 0.534 20 0 DCADHO C[C@@H](O)CCCN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001373508714 969173396 /nfs/dbraw/zinc/17/33/96/969173396.db2.gz QJGZJZCTDBCIDT-CJNGLKHVSA-N 1 3 309.454 0.537 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001448597323 1013961634 /nfs/dbraw/zinc/96/16/34/1013961634.db2.gz SXFDVAROWQYBNK-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C2CC2)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001448596127 1013962320 /nfs/dbraw/zinc/96/23/20/1013962320.db2.gz QNEZBBYQGIEENA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001448601740 1013964415 /nfs/dbraw/zinc/96/44/15/1013964415.db2.gz IHJFFXHOSDGQJT-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001431310043 1013990137 /nfs/dbraw/zinc/99/01/37/1013990137.db2.gz HRPVFUVCHTWZQZ-GASCZTMLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001431310043 1013990143 /nfs/dbraw/zinc/99/01/43/1013990143.db2.gz HRPVFUVCHTWZQZ-GASCZTMLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001448678978 1013993468 /nfs/dbraw/zinc/99/34/68/1013993468.db2.gz LNPLDWZTGZMAKO-CHWSQXEVSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001448678987 1013993562 /nfs/dbraw/zinc/99/35/62/1013993562.db2.gz LNPLDWZTGZMAKO-QWHCGFSZSA-N 1 3 312.458 0.384 20 0 DCADHO CN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)CN1CCCC1 ZINC001448927321 1014099378 /nfs/dbraw/zinc/09/93/78/1014099378.db2.gz ZZHKBDDEVMEOMY-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001448979509 1014116114 /nfs/dbraw/zinc/11/61/14/1014116114.db2.gz JJTHCYHDBRWSKI-HIFRSBDPSA-N 1 3 307.442 0.759 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)[C@@H]1C ZINC001448981292 1014117456 /nfs/dbraw/zinc/11/74/56/1014117456.db2.gz VYKNVSSEJSAJDJ-GOEBONIOSA-N 1 3 321.469 0.882 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C[C@@H]1C ZINC001449032249 1014146452 /nfs/dbraw/zinc/14/64/52/1014146452.db2.gz ZRCWHNGGVKOAFY-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549169703 1014159383 /nfs/dbraw/zinc/15/93/83/1014159383.db2.gz CXWDFVGNEVEFBI-GXTWGEPZSA-N 1 3 306.414 0.290 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001449086720 1014179747 /nfs/dbraw/zinc/17/97/47/1014179747.db2.gz UEQVSCNZBLTIOF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3CCCC[NH2+]C3)C2)nn1 ZINC001549286952 1014194377 /nfs/dbraw/zinc/19/43/77/1014194377.db2.gz ILIPTUQMZJZBDA-JSGCOSHPSA-N 1 3 306.414 0.290 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001449324624 1014410523 /nfs/dbraw/zinc/41/05/23/1014410523.db2.gz MRDXWFDEFFHVOM-ZFWWWQNUSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001449324624 1014410530 /nfs/dbraw/zinc/41/05/30/1014410530.db2.gz MRDXWFDEFFHVOM-ZFWWWQNUSA-N 1 3 321.469 0.992 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001449323865 1014410566 /nfs/dbraw/zinc/41/05/66/1014410566.db2.gz HBNANTGOGXEWIO-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549743750 1014441588 /nfs/dbraw/zinc/44/15/88/1014441588.db2.gz YFLIKVQJQAEYKE-LRDDRELGSA-N 1 3 319.409 0.024 20 0 DCADHO CN1CC[C@](O)(CNC(=O)Nc2ccc([C@H]3C[C@H]3[NH3+])cc2)C1 ZINC001549783914 1014459408 /nfs/dbraw/zinc/45/94/08/1014459408.db2.gz JKKVBXSWRCDDAT-FMKPAKJESA-N 1 3 304.394 0.689 20 0 DCADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001550077316 1014551152 /nfs/dbraw/zinc/55/11/52/1014551152.db2.gz CNNSIRYQEJWXSY-MLGOLLRUSA-N 1 3 303.362 0.343 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)nn1 ZINC001550096615 1014565373 /nfs/dbraw/zinc/56/53/73/1014565373.db2.gz NVFCGAQXLFTUGK-QLFBSQMISA-N 1 3 318.425 0.146 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC001550205753 1014628612 /nfs/dbraw/zinc/62/86/12/1014628612.db2.gz XNIWSBRIUMQHCF-UONOGXRCSA-N 1 3 322.453 0.446 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550239663 1014637484 /nfs/dbraw/zinc/63/74/84/1014637484.db2.gz OQGUHVZDFQGJDQ-GOEBONIOSA-N 1 3 310.442 0.078 20 0 DCADHO [NH3+][C@@H]1COCC[C@H]1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001550265429 1014641237 /nfs/dbraw/zinc/64/12/37/1014641237.db2.gz GTRXBMZQROYGNZ-KFWWJZLASA-N 1 3 304.394 0.289 20 0 DCADHO [NH3+][C@H]1COCCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001550265881 1014641505 /nfs/dbraw/zinc/64/15/05/1014641505.db2.gz QSIPMTWAPCOBHD-UKRRQHHQSA-N 1 3 304.394 0.243 20 0 DCADHO C[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)C[C@@H]1C(=O)N1CCOCC1 ZINC001550704825 1014809959 /nfs/dbraw/zinc/80/99/59/1014809959.db2.gz HZLVZALDOBQWEC-HLLBOEOZSA-N 1 3 309.454 0.803 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)C[C@@H]1C(=O)N1CCOCC1 ZINC001550704825 1014809964 /nfs/dbraw/zinc/80/99/64/1014809964.db2.gz HZLVZALDOBQWEC-HLLBOEOZSA-N 1 3 309.454 0.803 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001383820841 985117795 /nfs/dbraw/zinc/11/77/95/985117795.db2.gz VESZAHVNCIAKIR-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO [NH3+]CC1(c2ccccc2)CC(NC(=O)NC[C@H]2CNCCO2)C1 ZINC001551488202 1015114478 /nfs/dbraw/zinc/11/44/78/1015114478.db2.gz WPHVIHMOWRWDDI-ISXOHVOVSA-N 1 3 318.421 0.333 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551499187 1015118005 /nfs/dbraw/zinc/11/80/05/1015118005.db2.gz XWMPLEXQXDNCOP-VQCLRJIVSA-N 1 3 312.458 0.914 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001384397467 985547562 /nfs/dbraw/zinc/54/75/62/985547562.db2.gz DPPCLRHSIGHBSX-KGLIPLIRSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551583052 1015144675 /nfs/dbraw/zinc/14/46/75/1015144675.db2.gz RQOURBVHMXDHBD-XOSUWLCWSA-N 1 3 322.453 0.761 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CCO1 ZINC001551584871 1015147864 /nfs/dbraw/zinc/14/78/64/1015147864.db2.gz RWUOQYDLRWDIKR-MYMJJRTCSA-N 1 3 310.442 0.618 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001385226748 986169393 /nfs/dbraw/zinc/16/93/93/986169393.db2.gz RPMKPNPRCYPXDC-GFCCVEGCSA-N 1 3 319.409 0.011 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385257998 986191948 /nfs/dbraw/zinc/19/19/48/986191948.db2.gz ABGBDBSRZYNCOK-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001385346000 986276288 /nfs/dbraw/zinc/27/62/88/986276288.db2.gz BXTCTNSIUZLRDM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001385676646 986512213 /nfs/dbraw/zinc/51/22/13/986512213.db2.gz IEMFFHVUNAGDMZ-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385832484 986618624 /nfs/dbraw/zinc/61/86/24/986618624.db2.gz PVKPVHNPWCIORK-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385832484 986618626 /nfs/dbraw/zinc/61/86/26/986618626.db2.gz PVKPVHNPWCIORK-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001386065112 986792777 /nfs/dbraw/zinc/79/27/77/986792777.db2.gz RTAOGMJBBUTKFL-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001386102404 986830797 /nfs/dbraw/zinc/83/07/97/986830797.db2.gz XVUGBYXFDAZQPF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCN(C4CC4)C3)C[C@@H]2[NH3+])cn1 ZINC001552094910 1015266603 /nfs/dbraw/zinc/26/66/03/1015266603.db2.gz CSZKSCBIIGKBNC-QEJZJMRPSA-N 1 3 318.425 0.093 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001386278638 987026925 /nfs/dbraw/zinc/02/69/25/987026925.db2.gz TZRQBBZKKKMPQR-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001386278638 987026934 /nfs/dbraw/zinc/02/69/34/987026934.db2.gz TZRQBBZKKKMPQR-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)C1 ZINC001552107879 1015272466 /nfs/dbraw/zinc/27/24/66/1015272466.db2.gz WSTLIPIHBWZTNS-ZJIFWQFVSA-N 1 3 324.469 0.758 20 0 DCADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)C1 ZINC001552107879 1015272471 /nfs/dbraw/zinc/27/24/71/1015272471.db2.gz WSTLIPIHBWZTNS-ZJIFWQFVSA-N 1 3 324.469 0.758 20 0 DCADHO Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)NCCN2CCCCC2)cnn1C ZINC001552166706 1015301772 /nfs/dbraw/zinc/30/17/72/1015301772.db2.gz LGEHMHGTEUZREJ-HZPDHXFCSA-N 1 3 319.453 0.634 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001386964893 987532839 /nfs/dbraw/zinc/53/28/39/987532839.db2.gz XMGYCZOMGQTMJQ-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)[C@H]2CCN(C)C2)cnn1C ZINC001552215794 1015332469 /nfs/dbraw/zinc/33/24/69/1015332469.db2.gz LWYCONLOSSMLHK-QEJZJMRPSA-N 1 3 305.426 0.194 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001388723708 988540305 /nfs/dbraw/zinc/54/03/05/988540305.db2.gz XPIPPMHBXKNDKK-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@@H]1CCc2ncnn21 ZINC001388788632 988594705 /nfs/dbraw/zinc/59/47/05/988594705.db2.gz CDZHOJUMJSOCBT-RDBSUJKOSA-N 1 3 320.441 0.296 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001389204761 988982325 /nfs/dbraw/zinc/98/23/25/988982325.db2.gz LIZXLKKAJQQFTJ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001389204761 988982332 /nfs/dbraw/zinc/98/23/32/988982332.db2.gz LIZXLKKAJQQFTJ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001389251410 989032653 /nfs/dbraw/zinc/03/26/53/989032653.db2.gz VPURYOQLRCXTBA-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001389251410 989032657 /nfs/dbraw/zinc/03/26/57/989032657.db2.gz VPURYOQLRCXTBA-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001389603133 989423355 /nfs/dbraw/zinc/42/33/55/989423355.db2.gz CXPPWFFLLONNGY-YUELXQCFSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)NC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001389603133 989423357 /nfs/dbraw/zinc/42/33/57/989423357.db2.gz CXPPWFFLLONNGY-YUELXQCFSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001389738772 989530373 /nfs/dbraw/zinc/53/03/73/989530373.db2.gz XJSOLKHEPLQURD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001389796400 989586188 /nfs/dbraw/zinc/58/61/88/989586188.db2.gz DNXCLDQCSTWJFA-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001389800501 989591667 /nfs/dbraw/zinc/59/16/67/989591667.db2.gz VUQUDKYJAKRHRS-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001389813369 989604475 /nfs/dbraw/zinc/60/44/75/989604475.db2.gz AYBAZWBFAJAEOP-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001389813369 989604478 /nfs/dbraw/zinc/60/44/78/989604478.db2.gz AYBAZWBFAJAEOP-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC(NC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CC1 ZINC001552691970 1015493393 /nfs/dbraw/zinc/49/33/93/1015493393.db2.gz YQAKCGFZLXDDPV-JSGCOSHPSA-N 1 3 306.414 0.545 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001389859191 989643061 /nfs/dbraw/zinc/64/30/61/989643061.db2.gz UXAREXZNJPTVJG-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001389859191 989643064 /nfs/dbraw/zinc/64/30/64/989643064.db2.gz UXAREXZNJPTVJG-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001390081201 989801134 /nfs/dbraw/zinc/80/11/34/989801134.db2.gz BSMYQJKTUZKPQQ-MRXNPFEDSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC1CCCC1 ZINC001390464703 990126444 /nfs/dbraw/zinc/12/64/44/990126444.db2.gz QNTCGZUFLSZOCI-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)N1CCCCC1 ZINC001390475496 990133249 /nfs/dbraw/zinc/13/32/49/990133249.db2.gz UYFZPGRAQCWDBK-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001390511965 990162572 /nfs/dbraw/zinc/16/25/72/990162572.db2.gz VQJRMKIFFLIHRO-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001390524495 990174168 /nfs/dbraw/zinc/17/41/68/990174168.db2.gz OCMYZNKVINDGFJ-NSHDSACASA-N 1 3 304.398 0.331 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCc1cncn1C ZINC001390531913 990179516 /nfs/dbraw/zinc/17/95/16/990179516.db2.gz FUZJULPWVYUJJF-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552842366 1015548953 /nfs/dbraw/zinc/54/89/53/1015548953.db2.gz AQHIITRJJCADLE-BFYDXBDKSA-N 1 3 307.438 0.888 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001390706751 990317943 /nfs/dbraw/zinc/31/79/43/990317943.db2.gz OWQDAAKOUZUPPJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001390709345 990319662 /nfs/dbraw/zinc/31/96/62/990319662.db2.gz ARQQUXSUFBZMSZ-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC)CC1)N(C)C ZINC001391240880 990693191 /nfs/dbraw/zinc/69/31/91/990693191.db2.gz FZWVEHUSIVUUSN-OCCSQVGLSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001391340893 990762024 /nfs/dbraw/zinc/76/20/24/990762024.db2.gz QCEORLHZJCGRMO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001391340893 990762030 /nfs/dbraw/zinc/76/20/30/990762030.db2.gz QCEORLHZJCGRMO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001391698883 991109486 /nfs/dbraw/zinc/10/94/86/991109486.db2.gz UXFREWCXALBIGA-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCN(CC)C1=O ZINC001391734935 991145610 /nfs/dbraw/zinc/14/56/10/991145610.db2.gz FGPYOXINWKBAKA-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC(CC[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001391812721 991196910 /nfs/dbraw/zinc/19/69/10/991196910.db2.gz CDYSWMLDVULTLA-OCCSQVGLSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CCC(=O)NCCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC001391849237 991217671 /nfs/dbraw/zinc/21/76/71/991217671.db2.gz QKSHOUZTDHWVPQ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001391952783 991323053 /nfs/dbraw/zinc/32/30/53/991323053.db2.gz SRWJCEPFFAGXQC-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)n(C)n1)N(C)C ZINC001391953100 991323285 /nfs/dbraw/zinc/32/32/85/991323285.db2.gz UHKWTTZEIQWACZ-SWLSCSKDSA-N 1 3 309.458 0.911 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001392076353 991468267 /nfs/dbraw/zinc/46/82/67/991468267.db2.gz OWBMQAOFFKOHBD-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001392081894 991475064 /nfs/dbraw/zinc/47/50/64/991475064.db2.gz YFLVOLLFMRVNGB-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001392098866 991491525 /nfs/dbraw/zinc/49/15/25/991491525.db2.gz FETKONOUHAOSEB-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)N(C)C(=O)CN1CCCC1 ZINC001392131971 991530141 /nfs/dbraw/zinc/53/01/41/991530141.db2.gz JRQFLHXGFNLTNU-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC(C)(C)C)N(C)C(=O)CN1CCCC1 ZINC001392131966 991530244 /nfs/dbraw/zinc/53/02/44/991530244.db2.gz JRQFLHXGFNLTNU-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1cnns1 ZINC001392349518 991788329 /nfs/dbraw/zinc/78/83/29/991788329.db2.gz WIJMPRFHLJFVLQ-AAEUAGOBSA-N 1 3 311.455 0.864 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CCN[C@@H](C)C(N)=O)C1 ZINC001392452376 991947797 /nfs/dbraw/zinc/94/77/97/991947797.db2.gz DOJBEABZWOGUKB-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)CCN[C@@H](C)C(N)=O)C1 ZINC001392452376 991947804 /nfs/dbraw/zinc/94/78/04/991947804.db2.gz DOJBEABZWOGUKB-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](C[NH2+]C[C@H]1CCNC(=O)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001392481601 991988750 /nfs/dbraw/zinc/98/87/50/991988750.db2.gz CEZWQYTVDFXXML-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001392523220 992044326 /nfs/dbraw/zinc/04/43/26/992044326.db2.gz IEGRQPOSUZQNSU-CHWSQXEVSA-N 1 3 322.457 0.864 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001392523220 992044338 /nfs/dbraw/zinc/04/43/38/992044338.db2.gz IEGRQPOSUZQNSU-CHWSQXEVSA-N 1 3 322.457 0.864 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392564429 992101218 /nfs/dbraw/zinc/10/12/18/992101218.db2.gz XHHKURMKFBSZCZ-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392564429 992101225 /nfs/dbraw/zinc/10/12/25/992101225.db2.gz XHHKURMKFBSZCZ-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392660760 992227487 /nfs/dbraw/zinc/22/74/87/992227487.db2.gz VDEGJFUKKVTBAW-GDBMZVCRSA-N 1 3 319.453 0.661 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)N(C)C ZINC001393054036 992653096 /nfs/dbraw/zinc/65/30/96/992653096.db2.gz HNWAXFXKSQJNBQ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001393054030 992653477 /nfs/dbraw/zinc/65/34/77/992653477.db2.gz HNWAXFXKSQJNBQ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001393059332 992658314 /nfs/dbraw/zinc/65/83/14/992658314.db2.gz ZJQQLTVGNIYCJR-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001393143649 992715076 /nfs/dbraw/zinc/71/50/76/992715076.db2.gz DKXXOBVHGLSRPL-QGZVFWFLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](CC)C(N)=O)C1 ZINC001393160470 992722160 /nfs/dbraw/zinc/72/21/60/992722160.db2.gz LFXGGWCXRSJVTC-CJNGLKHVSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001393160476 992722433 /nfs/dbraw/zinc/72/24/33/992722433.db2.gz LFXGGWCXRSJVTC-XJKSGUPXSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001393158870 992722595 /nfs/dbraw/zinc/72/25/95/992722595.db2.gz HYRMGXRQNXUNHS-XJKSGUPXSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393414409 992960421 /nfs/dbraw/zinc/96/04/21/992960421.db2.gz OSVULYQXMLYRPU-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393414409 992960425 /nfs/dbraw/zinc/96/04/25/992960425.db2.gz OSVULYQXMLYRPU-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001393453261 993003728 /nfs/dbraw/zinc/00/37/28/993003728.db2.gz LLAJXROJUWFGFJ-UKRRQHHQSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001393579986 993100767 /nfs/dbraw/zinc/10/07/67/993100767.db2.gz AYEYPMNCBKOSSH-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001393603748 993118175 /nfs/dbraw/zinc/11/81/75/993118175.db2.gz SEGLRJHLKMXNAP-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001393603748 993118178 /nfs/dbraw/zinc/11/81/78/993118178.db2.gz SEGLRJHLKMXNAP-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC)[C@@H](C)C1 ZINC001393739792 993214730 /nfs/dbraw/zinc/21/47/30/993214730.db2.gz AGMCNCXKGAUDOJ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC)[C@@H](C)C1 ZINC001393739792 993214735 /nfs/dbraw/zinc/21/47/35/993214735.db2.gz AGMCNCXKGAUDOJ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NCC1CC(NC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001393901623 993331613 /nfs/dbraw/zinc/33/16/13/993331613.db2.gz PVHMUPNAAXIDFP-HSBZDZAISA-N 1 3 305.426 0.974 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001394390331 993673322 /nfs/dbraw/zinc/67/33/22/993673322.db2.gz KGNWXGNIOIKKHC-JURCDPSOSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001394393212 993676883 /nfs/dbraw/zinc/67/68/83/993676883.db2.gz ROVXYANGBCRQEZ-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](CNCC(=O)NC1CC1)C1CC1 ZINC001394447681 993716970 /nfs/dbraw/zinc/71/69/70/993716970.db2.gz BZLIGYPBMZVKSU-HIFRSBDPSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](CNCC(=O)NC1CC1)C1CC1 ZINC001394447681 993716975 /nfs/dbraw/zinc/71/69/75/993716975.db2.gz BZLIGYPBMZVKSU-HIFRSBDPSA-N 1 3 322.453 0.043 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001394540564 993813299 /nfs/dbraw/zinc/81/32/99/993813299.db2.gz QGWDEXDFQDGJGI-ZDUSSCGKSA-N 1 3 319.453 0.761 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001394566711 993837624 /nfs/dbraw/zinc/83/76/24/993837624.db2.gz MPSPKJZHEWTSDY-OLZOCXBDSA-N 1 3 300.447 0.240 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001399948191 993972724 /nfs/dbraw/zinc/97/27/24/993972724.db2.gz MJUBGHQBOCHJDF-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001399948191 993972732 /nfs/dbraw/zinc/97/27/32/993972732.db2.gz MJUBGHQBOCHJDF-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001394664762 993990667 /nfs/dbraw/zinc/99/06/67/993990667.db2.gz PFBMFIQQIAPXPU-DOMZBBRYSA-N 1 3 322.453 0.328 20 0 DCADHO CN(C[C@H](O)C[NH2+]CC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001394751514 994105105 /nfs/dbraw/zinc/10/51/05/994105105.db2.gz CLECJNXZKAXKGY-OAHLLOKOSA-N 1 3 308.426 0.941 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H](CN[C@@H]2CCNC2=O)C(C)(C)C)CC1 ZINC001394829839 994192101 /nfs/dbraw/zinc/19/21/01/994192101.db2.gz INNIRWZQRBUJLD-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001400151938 994204181 /nfs/dbraw/zinc/20/41/81/994204181.db2.gz QWQYVIWGEHHIGH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001400151938 994204192 /nfs/dbraw/zinc/20/41/92/994204192.db2.gz QWQYVIWGEHHIGH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001394854243 994217427 /nfs/dbraw/zinc/21/74/27/994217427.db2.gz VNQWKMWZKDJTFR-NRXISQOPSA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)[C@H](C)C(N)=O)CC1)N(C)C ZINC001400243628 994329768 /nfs/dbraw/zinc/32/97/68/994329768.db2.gz BTWCFXAEVDPIBM-TZMCWYRMSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)[C@H](C)C(N)=O)CC1)N(C)C ZINC001400243628 994329776 /nfs/dbraw/zinc/32/97/76/994329776.db2.gz BTWCFXAEVDPIBM-TZMCWYRMSA-N 1 3 312.458 0.371 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001400300170 994396979 /nfs/dbraw/zinc/39/69/79/994396979.db2.gz LUCQPLPDYKVKPG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001400300170 994396988 /nfs/dbraw/zinc/39/69/88/994396988.db2.gz LUCQPLPDYKVKPG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC001417065487 994717251 /nfs/dbraw/zinc/71/72/51/994717251.db2.gz RRASREKLXUGLNM-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC001417065487 994717260 /nfs/dbraw/zinc/71/72/60/994717260.db2.gz RRASREKLXUGLNM-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001507011392 1015889014 /nfs/dbraw/zinc/88/90/14/1015889014.db2.gz MKTJAONVGQCHHW-YPMHNXCESA-N 1 3 310.442 0.171 20 0 DCADHO CCn1cc(CCN2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001400673198 994784371 /nfs/dbraw/zinc/78/43/71/994784371.db2.gz HNEWAYGEXGTFAS-OAHLLOKOSA-N 1 3 307.442 0.588 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001395596960 994788157 /nfs/dbraw/zinc/78/81/57/994788157.db2.gz SJVXGNJTBZZWRF-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395596960 994788173 /nfs/dbraw/zinc/78/81/73/994788173.db2.gz SJVXGNJTBZZWRF-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001507027692 1015901611 /nfs/dbraw/zinc/90/16/11/1015901611.db2.gz KQFFJTAGZWFOGD-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001400811124 994962000 /nfs/dbraw/zinc/96/20/00/994962000.db2.gz IOBKEFIASCXTAF-TZMCWYRMSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001400811124 994962008 /nfs/dbraw/zinc/96/20/08/994962008.db2.gz IOBKEFIASCXTAF-TZMCWYRMSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(=O)NC ZINC001400840681 994997459 /nfs/dbraw/zinc/99/74/59/994997459.db2.gz APELZQVYYDOVMJ-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)NC ZINC001400866947 995023396 /nfs/dbraw/zinc/02/33/96/995023396.db2.gz UAWHZHVBKOQCQP-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001507037278 1015911427 /nfs/dbraw/zinc/91/14/27/1015911427.db2.gz SIJDBFFZJKCINQ-CABCVRRESA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001400903151 995052147 /nfs/dbraw/zinc/05/21/47/995052147.db2.gz UVRPGBCMTNWRII-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001400903151 995052154 /nfs/dbraw/zinc/05/21/54/995052154.db2.gz UVRPGBCMTNWRII-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCC(=O)NC)CCCC2)CC[N@@H+]1C ZINC001400910091 995056164 /nfs/dbraw/zinc/05/61/64/995056164.db2.gz DGJYWAXDZFDHMK-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCC(=O)NC)CCCC2)CC[N@H+]1C ZINC001400910091 995056172 /nfs/dbraw/zinc/05/61/72/995056172.db2.gz DGJYWAXDZFDHMK-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)NCC(=O)NC ZINC001400914160 995061465 /nfs/dbraw/zinc/06/14/65/995061465.db2.gz JYXWHBHIOLEFIK-DZGCQCFKSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001396757932 995591518 /nfs/dbraw/zinc/59/15/18/995591518.db2.gz CVCVYYLSUZCPME-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001396757932 995591527 /nfs/dbraw/zinc/59/15/27/995591527.db2.gz CVCVYYLSUZCPME-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001397200798 995859093 /nfs/dbraw/zinc/85/90/93/995859093.db2.gz DXGNPVCWCQOVFL-KBUPBQIOSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001397200798 995859097 /nfs/dbraw/zinc/85/90/97/995859097.db2.gz DXGNPVCWCQOVFL-KBUPBQIOSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001397200794 995859243 /nfs/dbraw/zinc/85/92/43/995859243.db2.gz DXGNPVCWCQOVFL-AJNGGQMLSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001397200794 995859246 /nfs/dbraw/zinc/85/92/46/995859246.db2.gz DXGNPVCWCQOVFL-AJNGGQMLSA-N 1 3 324.469 0.288 20 0 DCADHO COc1cccc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001397470975 996018019 /nfs/dbraw/zinc/01/80/19/996018019.db2.gz ZZBLNSOYOWFNQJ-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO C[C@H](O)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCOCC1 ZINC001502627077 1016005861 /nfs/dbraw/zinc/00/58/61/1016005861.db2.gz GBRZZFHVSXZCOE-ZDUSSCGKSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001398196608 996408035 /nfs/dbraw/zinc/40/80/35/996408035.db2.gz DTCPQHVSAAFTDT-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001398457269 996525783 /nfs/dbraw/zinc/52/57/83/996525783.db2.gz NMRJYJKSDGDECK-HZPDHXFCSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001398457269 996525786 /nfs/dbraw/zinc/52/57/86/996525786.db2.gz NMRJYJKSDGDECK-HZPDHXFCSA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001398524870 996553619 /nfs/dbraw/zinc/55/36/19/996553619.db2.gz YPGKGUOXYWIAOI-MELADBBJSA-N 1 3 312.458 0.240 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC001507161754 1016044363 /nfs/dbraw/zinc/04/43/63/1016044363.db2.gz MLIMWCIFRFUVKB-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001398695266 996643993 /nfs/dbraw/zinc/64/39/93/996643993.db2.gz VXRATDSXUTTZOP-KBPBESRZSA-N 1 3 312.458 0.240 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001398755547 996674066 /nfs/dbraw/zinc/67/40/66/996674066.db2.gz YNRPKPXWPJHPPI-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001398755574 996674454 /nfs/dbraw/zinc/67/44/54/996674454.db2.gz YNRPKPXWPJHPPI-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(C)(C)C ZINC001398960905 996777185 /nfs/dbraw/zinc/77/71/85/996777185.db2.gz XIXICVSIDVSRDW-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001398987729 996797770 /nfs/dbraw/zinc/79/77/70/996797770.db2.gz VWWQTFWFDBSNGL-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001404312027 996959527 /nfs/dbraw/zinc/95/95/27/996959527.db2.gz CZBUXJJSLGJPRY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001404312027 996959538 /nfs/dbraw/zinc/95/95/38/996959538.db2.gz CZBUXJJSLGJPRY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001404337122 997005808 /nfs/dbraw/zinc/00/58/08/997005808.db2.gz WZGBMPQLMYIUGI-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001404337122 997005814 /nfs/dbraw/zinc/00/58/14/997005814.db2.gz WZGBMPQLMYIUGI-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001404363421 997037314 /nfs/dbraw/zinc/03/73/14/997037314.db2.gz DPPXLNBUTFAKBL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001399186732 997068722 /nfs/dbraw/zinc/06/87/22/997068722.db2.gz RVFCDNURHBGPKJ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001399186732 997068734 /nfs/dbraw/zinc/06/87/34/997068734.db2.gz RVFCDNURHBGPKJ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001399243697 997118066 /nfs/dbraw/zinc/11/80/66/997118066.db2.gz NXOLGHNMSBCCCQ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399248823 997122214 /nfs/dbraw/zinc/12/22/14/997122214.db2.gz VOYRBHRJELVQEA-AWEZNQCLSA-N 1 3 319.453 0.700 20 0 DCADHO COc1nccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCN2C)n1 ZINC001399322426 997211052 /nfs/dbraw/zinc/21/10/52/997211052.db2.gz NXDLAAMPMRUNLB-JSGCOSHPSA-N 1 3 321.425 0.564 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399378599 997288049 /nfs/dbraw/zinc/28/80/49/997288049.db2.gz UUKWIYLICADPKN-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399378599 997288062 /nfs/dbraw/zinc/28/80/62/997288062.db2.gz UUKWIYLICADPKN-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)NCc1ccn(C)n1)[NH+](C)C ZINC001399420437 997337643 /nfs/dbraw/zinc/33/76/43/997337643.db2.gz RQUIKEMNDXDJMQ-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccnn1C ZINC001405376270 998168568 /nfs/dbraw/zinc/16/85/68/998168568.db2.gz LTMGHEOGIBSQEA-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001405378608 998171094 /nfs/dbraw/zinc/17/10/94/998171094.db2.gz XSMKPZXLZVBLGM-KBPBESRZSA-N 1 3 322.457 0.590 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CC[NH+](C)C ZINC001405431947 998221211 /nfs/dbraw/zinc/22/12/11/998221211.db2.gz AMQXKRXNEKNEMJ-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001511165217 1016196612 /nfs/dbraw/zinc/19/66/12/1016196612.db2.gz BBIKQMMIVBJCEF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCCNC1=O ZINC001405658597 998445033 /nfs/dbraw/zinc/44/50/33/998445033.db2.gz BSNGTIGIUVXZCY-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001507294881 1016225186 /nfs/dbraw/zinc/22/51/86/1016225186.db2.gz IMTMJGKECHZVQD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CC(C[NH+](C)C)C2)cn1 ZINC001468179267 1016229489 /nfs/dbraw/zinc/22/94/89/1016229489.db2.gz SBSQSNGVXUMQFM-HZPDHXFCSA-N 1 3 319.453 0.475 20 0 DCADHO CCOC(=O)C1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC001470026677 1016382457 /nfs/dbraw/zinc/38/24/57/1016382457.db2.gz PWXVGPCIEXMDJK-ZDUSSCGKSA-N 1 3 313.442 0.718 20 0 DCADHO CCOC(=O)C1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC001470026677 1016382468 /nfs/dbraw/zinc/38/24/68/1016382468.db2.gz PWXVGPCIEXMDJK-ZDUSSCGKSA-N 1 3 313.442 0.718 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)C12CC[NH+](CC1)C2 ZINC001401132057 1000215673 /nfs/dbraw/zinc/21/56/73/1000215673.db2.gz AQSOKRRQRRZBTP-LLVKDONJSA-N 1 3 309.439 0.476 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401257946 1000314892 /nfs/dbraw/zinc/31/48/92/1000314892.db2.gz SNIPOTHFAWJHAI-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](CCc1ccnn1C)C1CC1 ZINC001418754431 1000496109 /nfs/dbraw/zinc/49/61/09/1000496109.db2.gz RXCVFQCBNOSKKJ-MRXNPFEDSA-N 1 3 319.453 0.637 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](CCc1ccnn1C)C1CC1 ZINC001418754431 1000496111 /nfs/dbraw/zinc/49/61/11/1000496111.db2.gz RXCVFQCBNOSKKJ-MRXNPFEDSA-N 1 3 319.453 0.637 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401596812 1000531859 /nfs/dbraw/zinc/53/18/59/1000531859.db2.gz OPDZFRGSOCHECA-QWHCGFSZSA-N 1 3 300.447 0.145 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)[C@H]1CCCCN1C ZINC001401595877 1000531948 /nfs/dbraw/zinc/53/19/48/1000531948.db2.gz ONGZZVPLGOPMGH-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001418816228 1000545686 /nfs/dbraw/zinc/54/56/86/1000545686.db2.gz BOSFHRCMFUZNDM-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001418816228 1000545692 /nfs/dbraw/zinc/54/56/92/1000545692.db2.gz BOSFHRCMFUZNDM-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCCCC1 ZINC001401670735 1000608889 /nfs/dbraw/zinc/60/88/89/1000608889.db2.gz OATVTZIWSYSHGE-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001418941519 1000634085 /nfs/dbraw/zinc/63/40/85/1000634085.db2.gz HTNMKCJKGIUPQI-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001418941519 1000634090 /nfs/dbraw/zinc/63/40/90/1000634090.db2.gz HTNMKCJKGIUPQI-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C(C)C)[NH+](C)C ZINC001401715766 1000653377 /nfs/dbraw/zinc/65/33/77/1000653377.db2.gz CDEXWKHLAFYHAB-ZFWWWQNUSA-N 1 3 314.474 0.534 20 0 DCADHO COC[C@H](O)CN1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001419127878 1000799579 /nfs/dbraw/zinc/79/95/79/1000799579.db2.gz VDRWIRQYANCNAB-RRFJBIMHSA-N 1 3 315.458 0.113 20 0 DCADHO C[C@H](F)CCN1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001419130754 1000799934 /nfs/dbraw/zinc/79/99/34/1000799934.db2.gz JBZAFQLCMSAGIN-GJZGRUSLSA-N 1 3 314.449 0.420 20 0 DCADHO C[C@H](F)CCN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001419130754 1000799940 /nfs/dbraw/zinc/79/99/40/1000799940.db2.gz JBZAFQLCMSAGIN-GJZGRUSLSA-N 1 3 314.449 0.420 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001401871136 1000803720 /nfs/dbraw/zinc/80/37/20/1000803720.db2.gz NDMZMIRAKYXEGH-INIZCTEOSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N(C)C ZINC001419191811 1000866395 /nfs/dbraw/zinc/86/63/95/1000866395.db2.gz DCNDZDQGPZJEAV-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N(C)C ZINC001419191811 1000866401 /nfs/dbraw/zinc/86/64/01/1000866401.db2.gz DCNDZDQGPZJEAV-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419199451 1000874357 /nfs/dbraw/zinc/87/43/57/1000874357.db2.gz OATYCYFLKKNIRE-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001401945343 1000887393 /nfs/dbraw/zinc/88/73/93/1000887393.db2.gz SODXLENXFZHTFT-UONOGXRCSA-N 1 3 313.442 0.105 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N[C@@H]1CCNC1=O ZINC001419259951 1000927335 /nfs/dbraw/zinc/92/73/35/1000927335.db2.gz IBMHTYKGQVYZNI-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001402050877 1000975652 /nfs/dbraw/zinc/97/56/52/1000975652.db2.gz IDFFONHBESWNIV-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](NCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001419326395 1000978717 /nfs/dbraw/zinc/97/87/17/1000978717.db2.gz OVHSVJSAHDPVQT-UKRRQHHQSA-N 1 3 310.442 0.077 20 0 DCADHO CCCC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001402084904 1001003667 /nfs/dbraw/zinc/00/36/67/1001003667.db2.gz YUAJOXHEVVMEHZ-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001402102211 1001017104 /nfs/dbraw/zinc/01/71/04/1001017104.db2.gz DLKKFMXJLLQUJC-QLFBSQMISA-N 1 3 315.433 0.724 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001402102211 1001017108 /nfs/dbraw/zinc/01/71/08/1001017108.db2.gz DLKKFMXJLLQUJC-QLFBSQMISA-N 1 3 315.433 0.724 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001419411592 1001031730 /nfs/dbraw/zinc/03/17/30/1001031730.db2.gz IBYSMOUHLLKEDI-JHJVBQTASA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)N1CCCC1 ZINC001419471221 1001079832 /nfs/dbraw/zinc/07/98/32/1001079832.db2.gz PPYOCIWOKWWVRF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001402186976 1001093825 /nfs/dbraw/zinc/09/38/25/1001093825.db2.gz FJWKUFJYTFKRJN-BBRMVZONSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cnns1 ZINC001419508152 1001104208 /nfs/dbraw/zinc/10/42/08/1001104208.db2.gz JIHPJULTYMZFBW-NEPJUHHUSA-N 1 3 311.455 0.722 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001419510217 1001105691 /nfs/dbraw/zinc/10/56/91/1001105691.db2.gz BJTVHIVNCPGQOR-GASCZTMLSA-N 1 3 320.437 0.464 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001402267415 1001157163 /nfs/dbraw/zinc/15/71/63/1001157163.db2.gz JFXLFBXAKWLFIQ-RDJZCZTQSA-N 1 3 309.454 0.824 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001402267415 1001157166 /nfs/dbraw/zinc/15/71/66/1001157166.db2.gz JFXLFBXAKWLFIQ-RDJZCZTQSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419673139 1001213577 /nfs/dbraw/zinc/21/35/77/1001213577.db2.gz LCQZTLWZSREBAL-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419673139 1001213582 /nfs/dbraw/zinc/21/35/82/1001213582.db2.gz LCQZTLWZSREBAL-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)CC[NH+](C)C ZINC001419706341 1001236371 /nfs/dbraw/zinc/23/63/71/1001236371.db2.gz HDBJIZNNZJPHNZ-NSHDSACASA-N 1 3 308.430 0.570 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2cn(C)nn2)C1 ZINC001402421908 1001291907 /nfs/dbraw/zinc/29/19/07/1001291907.db2.gz QSZYZHFEAGYPCR-UONOGXRCSA-N 1 3 322.457 0.341 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2cn(C)nn2)C1 ZINC001402421908 1001291912 /nfs/dbraw/zinc/29/19/12/1001291912.db2.gz QSZYZHFEAGYPCR-UONOGXRCSA-N 1 3 322.457 0.341 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC)C2 ZINC001402423608 1001294424 /nfs/dbraw/zinc/29/44/24/1001294424.db2.gz YYWYVUVHUHMMCR-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC)C2 ZINC001402423608 1001294430 /nfs/dbraw/zinc/29/44/30/1001294430.db2.gz YYWYVUVHUHMMCR-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)C1CCC1 ZINC001402426442 1001297564 /nfs/dbraw/zinc/29/75/64/1001297564.db2.gz PVNMNPJSNXNZFN-RBVVOMGSSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)C1CCC1 ZINC001402426442 1001297570 /nfs/dbraw/zinc/29/75/70/1001297570.db2.gz PVNMNPJSNXNZFN-RBVVOMGSSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001419777273 1001299660 /nfs/dbraw/zinc/29/96/60/1001299660.db2.gz OHFDWPOVIRDGPO-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001419794246 1001313609 /nfs/dbraw/zinc/31/36/09/1001313609.db2.gz PTACRAKCFJPPGD-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC(C)(C)C ZINC001402445389 1001315874 /nfs/dbraw/zinc/31/58/74/1001315874.db2.gz LZHQEXFMRISSFS-HZSPNIEDSA-N 1 3 324.469 0.574 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001419803888 1001320466 /nfs/dbraw/zinc/32/04/66/1001320466.db2.gz IJXZRGMLZGMKHN-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001419803888 1001320471 /nfs/dbraw/zinc/32/04/71/1001320471.db2.gz IJXZRGMLZGMKHN-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](O)CCCN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402460290 1001330071 /nfs/dbraw/zinc/33/00/71/1001330071.db2.gz HHDHZKVWSPLARY-GOEBONIOSA-N 1 3 315.458 0.042 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(C)(C)C ZINC001419852841 1001358533 /nfs/dbraw/zinc/35/85/33/1001358533.db2.gz PZUCOWMLDWBBSA-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001402497855 1001361108 /nfs/dbraw/zinc/36/11/08/1001361108.db2.gz ORDWDLPNJFQVPH-MGPQQGTHSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2cnn(C)c2)CCC1)N(C)C ZINC001402581987 1001421894 /nfs/dbraw/zinc/42/18/94/1001421894.db2.gz VIKHSOKJQMSPMT-HNNXBMFYSA-N 1 3 321.469 0.931 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001402678113 1001467854 /nfs/dbraw/zinc/46/78/54/1001467854.db2.gz GAVUHUUPFDWCBO-YPMHNXCESA-N 1 3 307.398 0.044 20 0 DCADHO CCC1([NH2+]CC(=O)N(C)C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001402700239 1001475234 /nfs/dbraw/zinc/47/52/34/1001475234.db2.gz APXVVFCTPGQJQT-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1cnn(C)c1 ZINC001402786001 1001502201 /nfs/dbraw/zinc/50/22/01/1001502201.db2.gz WUSWWNZKIOOHOJ-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccnn1C ZINC001402826233 1001518542 /nfs/dbraw/zinc/51/85/42/1001518542.db2.gz UXPVXGKSRQKGBG-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402884768 1001555337 /nfs/dbraw/zinc/55/53/37/1001555337.db2.gz AXTVYRHBOUALJR-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402884768 1001555338 /nfs/dbraw/zinc/55/53/38/1001555338.db2.gz AXTVYRHBOUALJR-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)CC)CC[N@@H+]1C ZINC001402890982 1001559137 /nfs/dbraw/zinc/55/91/37/1001559137.db2.gz NDHJKENXRPYKMX-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)CC)CC[N@H+]1C ZINC001402890982 1001559140 /nfs/dbraw/zinc/55/91/40/1001559140.db2.gz NDHJKENXRPYKMX-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cncn1C ZINC001402897779 1001563669 /nfs/dbraw/zinc/56/36/69/1001563669.db2.gz ZCTIYUCXHLOINK-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cncn1C ZINC001402897779 1001563675 /nfs/dbraw/zinc/56/36/75/1001563675.db2.gz ZCTIYUCXHLOINK-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001402990023 1001621697 /nfs/dbraw/zinc/62/16/97/1001621697.db2.gz CXOOETZDQMQFOF-KGLIPLIRSA-N 1 3 324.473 0.739 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403061217 1001655153 /nfs/dbraw/zinc/65/51/53/1001655153.db2.gz RZUXGSBLDKMZNV-GFCCVEGCSA-N 1 3 307.442 0.807 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001403063355 1001655650 /nfs/dbraw/zinc/65/56/50/1001655650.db2.gz IRAPBYLFRLZMGW-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001505755751 1016524188 /nfs/dbraw/zinc/52/41/88/1016524188.db2.gz PGJMJESIUNWOHN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001403243386 1001757701 /nfs/dbraw/zinc/75/77/01/1001757701.db2.gz IHFRLLLMLKYGAB-CYBMUJFWSA-N 1 3 321.425 0.257 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001420026906 1001771610 /nfs/dbraw/zinc/77/16/10/1001771610.db2.gz KAKIAHIRJPQGAA-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001505760418 1016533490 /nfs/dbraw/zinc/53/34/90/1016533490.db2.gz KKDOOTVBPZLDHF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H]1CCN(C)C1=O ZINC001424676878 1001909067 /nfs/dbraw/zinc/90/90/67/1001909067.db2.gz WQDDLPONVOYFTF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H]1CCN(C)C1=O ZINC001424676878 1001909074 /nfs/dbraw/zinc/90/90/74/1001909074.db2.gz WQDDLPONVOYFTF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2cccnc2)CC[N@@H+]1C ZINC001420133181 1001920246 /nfs/dbraw/zinc/92/02/46/1001920246.db2.gz ZAZVKHCTWRGXGE-HRCADAONSA-N 1 3 320.437 0.379 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2cccnc2)CC[N@H+]1C ZINC001420133181 1001920257 /nfs/dbraw/zinc/92/02/57/1001920257.db2.gz ZAZVKHCTWRGXGE-HRCADAONSA-N 1 3 320.437 0.379 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccnn1C ZINC001403447748 1001972117 /nfs/dbraw/zinc/97/21/17/1001972117.db2.gz SHWQBKHDEMKDEW-LSDHHAIUSA-N 1 3 321.469 0.789 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001403480217 1002010734 /nfs/dbraw/zinc/01/07/34/1002010734.db2.gz FHHNAUWZZUFSKA-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001403480217 1002010740 /nfs/dbraw/zinc/01/07/40/1002010740.db2.gz FHHNAUWZZUFSKA-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001403547447 1002117260 /nfs/dbraw/zinc/11/72/60/1002117260.db2.gz DHDBWLMXFAPVML-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001403547447 1002117266 /nfs/dbraw/zinc/11/72/66/1002117266.db2.gz DHDBWLMXFAPVML-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001424890070 1002120738 /nfs/dbraw/zinc/12/07/38/1002120738.db2.gz NUSHPUREXYBIEV-QWHCGFSZSA-N 1 3 314.474 0.521 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@H]1CCN(C)C1=O ZINC001403581601 1002168838 /nfs/dbraw/zinc/16/88/38/1002168838.db2.gz YEIGVVLTQYFALF-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCc1cnn(C)c1 ZINC001424995098 1002227924 /nfs/dbraw/zinc/22/79/24/1002227924.db2.gz GZOPCOBFWRERPG-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001403631287 1002237334 /nfs/dbraw/zinc/23/73/34/1002237334.db2.gz OQJLDYXSHAHNAO-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001403631287 1002237341 /nfs/dbraw/zinc/23/73/41/1002237341.db2.gz OQJLDYXSHAHNAO-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)N[C@H]1CCc2ccccc21 ZINC001403695334 1002366718 /nfs/dbraw/zinc/36/67/18/1002366718.db2.gz DRYNLKYADMZYHR-ZBFHGGJFSA-N 1 3 305.422 0.692 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016063 1016610742 /nfs/dbraw/zinc/61/07/42/1016610742.db2.gz LGWQZXNIKRLRBX-ZDUSSCGKSA-N 1 3 310.446 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001425226642 1002458124 /nfs/dbraw/zinc/45/81/24/1002458124.db2.gz FZTMQKHEUYMXAH-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C2CC2)C[C@H]1C ZINC001403746509 1002459637 /nfs/dbraw/zinc/45/96/37/1002459637.db2.gz IWAZITVJNFRXCS-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C2CC2)C[C@H]1C ZINC001403746509 1002459642 /nfs/dbraw/zinc/45/96/42/1002459642.db2.gz IWAZITVJNFRXCS-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)CC(F)(F)F ZINC001403765144 1002488806 /nfs/dbraw/zinc/48/88/06/1002488806.db2.gz ABRCKWJSRTYUOV-WDEREUQCSA-N 1 3 311.348 0.299 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)CC(F)(F)F ZINC001403765144 1002488821 /nfs/dbraw/zinc/48/88/21/1002488821.db2.gz ABRCKWJSRTYUOV-WDEREUQCSA-N 1 3 311.348 0.299 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C(C)(C)C1 ZINC001403832831 1002595848 /nfs/dbraw/zinc/59/58/48/1002595848.db2.gz WGVWFNMDVSAPPZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C(C)(C)C1 ZINC001403832831 1002595860 /nfs/dbraw/zinc/59/58/60/1002595860.db2.gz WGVWFNMDVSAPPZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(=O)NC3CC3)C(C)(C)C2)C1 ZINC001403836859 1002603407 /nfs/dbraw/zinc/60/34/07/1002603407.db2.gz OUCOMIIWXBNWIB-GXTWGEPZSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(=O)NC3CC3)C(C)(C)C2)C1 ZINC001403836859 1002603410 /nfs/dbraw/zinc/60/34/10/1002603410.db2.gz OUCOMIIWXBNWIB-GXTWGEPZSA-N 1 3 322.453 0.043 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCF ZINC001403908525 1002722824 /nfs/dbraw/zinc/72/28/24/1002722824.db2.gz DJTKIUUYHRUBRP-CABCVRRESA-N 1 3 317.449 0.972 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCF ZINC001403908525 1002722839 /nfs/dbraw/zinc/72/28/39/1002722839.db2.gz DJTKIUUYHRUBRP-CABCVRRESA-N 1 3 317.449 0.972 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC001508155548 1016674362 /nfs/dbraw/zinc/67/43/62/1016674362.db2.gz PMKBAIKGYQNPOQ-UHFFFAOYSA-N 1 3 307.442 0.802 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001420752863 1002915661 /nfs/dbraw/zinc/91/56/61/1002915661.db2.gz QDHQEAPJQDSKJT-CABCVRRESA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001420752863 1002915669 /nfs/dbraw/zinc/91/56/69/1002915669.db2.gz QDHQEAPJQDSKJT-CABCVRRESA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001420772895 1002934653 /nfs/dbraw/zinc/93/46/53/1002934653.db2.gz RHBGEHSMPGWHED-SMDDNHRTSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001425664407 1002941253 /nfs/dbraw/zinc/94/12/53/1002941253.db2.gz UYQIZNHUVMREPQ-SWLSCSKDSA-N 1 3 303.422 0.628 20 0 DCADHO Cc1ncc(CNC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001420789716 1002951133 /nfs/dbraw/zinc/95/11/33/1002951133.db2.gz QXNWKZZPLXIKFU-HOTGVXAUSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CNC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001420789716 1002951143 /nfs/dbraw/zinc/95/11/43/1002951143.db2.gz QXNWKZZPLXIKFU-HOTGVXAUSA-N 1 3 317.437 0.721 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCCCO2)CCC1 ZINC001425749890 1003052165 /nfs/dbraw/zinc/05/21/65/1003052165.db2.gz FSHRQTLOLRJZQN-KBPBESRZSA-N 1 3 313.442 0.107 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001472083483 1016727948 /nfs/dbraw/zinc/72/79/48/1016727948.db2.gz LRLNRCRCDXUMNE-CQSZACIVSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001425813585 1003140050 /nfs/dbraw/zinc/14/00/50/1003140050.db2.gz ZAJKFWYLCAXXNS-DOMZBBRYSA-N 1 3 311.401 0.905 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCCNC1=O ZINC001405903329 1003184964 /nfs/dbraw/zinc/18/49/64/1003184964.db2.gz RFKFCMLBSPIWBP-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCCNC1=O ZINC001405903329 1003184967 /nfs/dbraw/zinc/18/49/67/1003184967.db2.gz RFKFCMLBSPIWBP-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001405929160 1003201769 /nfs/dbraw/zinc/20/17/69/1003201769.db2.gz NUPPSXSTHLSBGP-KBPBESRZSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](C)C1 ZINC001405963865 1003224743 /nfs/dbraw/zinc/22/47/43/1003224743.db2.gz GQGNPTQYQJGULE-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@H]1C ZINC001425907959 1003247450 /nfs/dbraw/zinc/24/74/50/1003247450.db2.gz YBTUMSXNPOLBOL-HIFRSBDPSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)[C@H]1C ZINC001425907961 1003247707 /nfs/dbraw/zinc/24/77/07/1003247707.db2.gz YBTUMSXNPOLBOL-UKRRQHHQSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC(N)=O ZINC001406012704 1003262483 /nfs/dbraw/zinc/26/24/83/1003262483.db2.gz GEGLLNXRZTVDAB-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NCC1CC1 ZINC001421129122 1003357866 /nfs/dbraw/zinc/35/78/66/1003357866.db2.gz MMFMSMHXIHXLIF-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cncc(C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001426056848 1003383503 /nfs/dbraw/zinc/38/35/03/1003383503.db2.gz SIUYQEUWUXXOKX-INIZCTEOSA-N 1 3 322.453 0.639 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001406514688 1003781140 /nfs/dbraw/zinc/78/11/40/1003781140.db2.gz DIUORFOQTHIPTG-QWRGUYRKSA-N 1 3 308.430 0.610 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001426761550 1004016216 /nfs/dbraw/zinc/01/62/16/1004016216.db2.gz PDBOTWWUWDLTJV-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426761550 1004016228 /nfs/dbraw/zinc/01/62/28/1004016228.db2.gz PDBOTWWUWDLTJV-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(=O)NC)CC1 ZINC001406923401 1004223990 /nfs/dbraw/zinc/22/39/90/1004223990.db2.gz GQBVRXXBDYZEFZ-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(=O)NC)CC1 ZINC001406923401 1004223999 /nfs/dbraw/zinc/22/39/99/1004223999.db2.gz GQBVRXXBDYZEFZ-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001407095109 1004374687 /nfs/dbraw/zinc/37/46/87/1004374687.db2.gz PXXYRFUYFNZBSD-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001429261733 1004490254 /nfs/dbraw/zinc/49/02/54/1004490254.db2.gz KQEUGYOHDPYOIB-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429261733 1004490257 /nfs/dbraw/zinc/49/02/57/1004490257.db2.gz KQEUGYOHDPYOIB-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CCC2CC2)C1)C1CCC1 ZINC001407340117 1004563596 /nfs/dbraw/zinc/56/35/96/1004563596.db2.gz BLVDHPQIUCGLSC-KRWDZBQOSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1)C1CCC1 ZINC001407340117 1004563601 /nfs/dbraw/zinc/56/36/01/1004563601.db2.gz BLVDHPQIUCGLSC-KRWDZBQOSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001427777930 1004600589 /nfs/dbraw/zinc/60/05/89/1004600589.db2.gz ZPEZAYMJZGWJKH-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001427777930 1004600591 /nfs/dbraw/zinc/60/05/91/1004600591.db2.gz ZPEZAYMJZGWJKH-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001429501437 1004634100 /nfs/dbraw/zinc/63/41/00/1004634100.db2.gz LBSKLUOKTSENQR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001429501437 1004634103 /nfs/dbraw/zinc/63/41/03/1004634103.db2.gz LBSKLUOKTSENQR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCn1nncc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001408172852 1005091129 /nfs/dbraw/zinc/09/11/29/1005091129.db2.gz DAWARALGAXMCSM-JSGCOSHPSA-N 1 3 308.430 0.377 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001414781679 1005401302 /nfs/dbraw/zinc/40/13/02/1005401302.db2.gz JFRNQLHDOLOBDO-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001414781679 1005401303 /nfs/dbraw/zinc/40/13/03/1005401303.db2.gz JFRNQLHDOLOBDO-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001415187646 1005478112 /nfs/dbraw/zinc/47/81/12/1005478112.db2.gz FVLNWHGJSJLDHJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001415187646 1005478117 /nfs/dbraw/zinc/47/81/17/1005478117.db2.gz FVLNWHGJSJLDHJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001415187648 1005478247 /nfs/dbraw/zinc/47/82/47/1005478247.db2.gz FVLNWHGJSJLDHJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001415187648 1005478249 /nfs/dbraw/zinc/47/82/49/1005478249.db2.gz FVLNWHGJSJLDHJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001415324021 1005502722 /nfs/dbraw/zinc/50/27/22/1005502722.db2.gz IEAIQTCUNGSMCB-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001415324021 1005502724 /nfs/dbraw/zinc/50/27/24/1005502724.db2.gz IEAIQTCUNGSMCB-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CC[NH+](C)C)C(=O)CN(C)C1CCC1 ZINC001514651702 1016999955 /nfs/dbraw/zinc/99/99/55/1016999955.db2.gz KNLGSOBNKFGHOR-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001417767508 1005886814 /nfs/dbraw/zinc/88/68/14/1005886814.db2.gz AXOAQAZZDGJLNK-SOUVJXGZSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001417769048 1005887149 /nfs/dbraw/zinc/88/71/49/1005887149.db2.gz HFOIUKIOVVTUTF-BETUJISGSA-N 1 3 308.430 0.141 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001417786171 1005890877 /nfs/dbraw/zinc/89/08/77/1005890877.db2.gz DSROMYGVVNGNDF-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)C1)[NH+](C)C ZINC001418040541 1005971127 /nfs/dbraw/zinc/97/11/27/1005971127.db2.gz IDLULAMHKBUWCI-QEJZJMRPSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001514719294 1017018996 /nfs/dbraw/zinc/01/89/96/1017018996.db2.gz CTXAIAUSGXYMBZ-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438680892 1006020844 /nfs/dbraw/zinc/02/08/44/1006020844.db2.gz JORLZYCUGORBCK-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001438680892 1006020850 /nfs/dbraw/zinc/02/08/50/1006020850.db2.gz JORLZYCUGORBCK-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001438709893 1006058377 /nfs/dbraw/zinc/05/83/77/1006058377.db2.gz CLPDKXOOCMMRHP-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(CCn2cncn2)C1 ZINC001418124566 1006076232 /nfs/dbraw/zinc/07/62/32/1006076232.db2.gz QTFXZYFGHJNFKA-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001438780570 1006114369 /nfs/dbraw/zinc/11/43/69/1006114369.db2.gz YOIDMLVDSLZTFC-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001418165910 1006122438 /nfs/dbraw/zinc/12/24/38/1006122438.db2.gz HNVFIFSKCIDEDG-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001418188556 1006146083 /nfs/dbraw/zinc/14/60/83/1006146083.db2.gz GJDYZLZWIAMSOB-NRXISQOPSA-N 1 3 324.469 0.576 20 0 DCADHO CCc1nc([C@H](C)N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001436388049 1006156765 /nfs/dbraw/zinc/15/67/65/1006156765.db2.gz AYVSPIIVVKFAFA-AVGNSLFASA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001436393998 1006161534 /nfs/dbraw/zinc/16/15/34/1006161534.db2.gz BLURYMPUIMGGDK-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1CCn1cccn1 ZINC001436481608 1006211788 /nfs/dbraw/zinc/21/17/88/1006211788.db2.gz OHYXGULDFOKOCE-CABCVRRESA-N 1 3 319.453 0.804 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001418237612 1006223124 /nfs/dbraw/zinc/22/31/24/1006223124.db2.gz SYEFIFWDZGPPLD-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001418237612 1006223139 /nfs/dbraw/zinc/22/31/39/1006223139.db2.gz SYEFIFWDZGPPLD-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001437076160 1006572496 /nfs/dbraw/zinc/57/24/96/1006572496.db2.gz WPQUDEOLMNQJGQ-ODXJTPSBSA-N 1 3 301.406 0.094 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001437076160 1006572504 /nfs/dbraw/zinc/57/25/04/1006572504.db2.gz WPQUDEOLMNQJGQ-ODXJTPSBSA-N 1 3 301.406 0.094 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccnn1C ZINC001437129246 1006625405 /nfs/dbraw/zinc/62/54/05/1006625405.db2.gz GMDUHEUUTVTKIU-GOEBONIOSA-N 1 3 321.469 0.930 20 0 DCADHO Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC001437265201 1006784958 /nfs/dbraw/zinc/78/49/58/1006784958.db2.gz YRCKWNHBRDHAJR-STQMWFEESA-N 1 3 324.425 0.546 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001437270004 1006787900 /nfs/dbraw/zinc/78/79/00/1006787900.db2.gz YVQTYFPLVMVDRK-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001437331068 1006850917 /nfs/dbraw/zinc/85/09/17/1006850917.db2.gz QXWPAQPGOLLHPC-CQSZACIVSA-N 1 3 307.442 0.698 20 0 DCADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCc1cnn(C)c1 ZINC001437458553 1006983589 /nfs/dbraw/zinc/98/35/89/1006983589.db2.gz QIJDQSXSEYUVAX-MRXNPFEDSA-N 1 3 319.453 0.352 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001437725928 1007316161 /nfs/dbraw/zinc/31/61/61/1007316161.db2.gz KHYVVTDUDPYSIM-HOTGVXAUSA-N 1 3 319.453 0.663 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001437725928 1007316177 /nfs/dbraw/zinc/31/61/77/1007316177.db2.gz KHYVVTDUDPYSIM-HOTGVXAUSA-N 1 3 319.453 0.663 20 0 DCADHO CO[C@@H](C)CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001437786754 1007406199 /nfs/dbraw/zinc/40/61/99/1007406199.db2.gz VENANQWWOVHUAO-XJKSGUPXSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CC2CC(C)C2)C1 ZINC001440020898 1007423555 /nfs/dbraw/zinc/42/35/55/1007423555.db2.gz TWLSBUPBWWSPFN-VMBOVVBDSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC(C)C2)C1 ZINC001440020898 1007423560 /nfs/dbraw/zinc/42/35/60/1007423560.db2.gz TWLSBUPBWWSPFN-VMBOVVBDSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC1CCCC1 ZINC001437831624 1007443013 /nfs/dbraw/zinc/44/30/13/1007443013.db2.gz RORYWJVGFMQNAJ-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001440109565 1007495516 /nfs/dbraw/zinc/49/55/16/1007495516.db2.gz ADNHNTUSTMDMRO-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001440134464 1007512471 /nfs/dbraw/zinc/51/24/71/1007512471.db2.gz IVWZQBRDAOVDDO-ZBFHGGJFSA-N 1 3 321.469 0.944 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001437998558 1007573925 /nfs/dbraw/zinc/57/39/25/1007573925.db2.gz IOGHDKNUWODNMC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001437998558 1007573937 /nfs/dbraw/zinc/57/39/37/1007573937.db2.gz IOGHDKNUWODNMC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC001440258107 1007619955 /nfs/dbraw/zinc/61/99/55/1007619955.db2.gz VYQNVZDIORVZPP-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC001440258107 1007619961 /nfs/dbraw/zinc/61/99/61/1007619961.db2.gz VYQNVZDIORVZPP-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001440315866 1007665265 /nfs/dbraw/zinc/66/52/65/1007665265.db2.gz ZTBNYMOYRYAVBS-TUVASFSCSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCC(=O)NC2CCCC2)CCC1 ZINC001440334553 1007679423 /nfs/dbraw/zinc/67/94/23/1007679423.db2.gz SXLJUXPUASYYMD-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H](C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001440350252 1007687239 /nfs/dbraw/zinc/68/72/39/1007687239.db2.gz DAQKZMZHXXAUEA-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001440350252 1007687243 /nfs/dbraw/zinc/68/72/43/1007687243.db2.gz DAQKZMZHXXAUEA-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001440353256 1007689581 /nfs/dbraw/zinc/68/95/81/1007689581.db2.gz FOAMQIHOXRLSQI-VGWMRTNUSA-N 1 3 309.454 0.849 20 0 DCADHO C[NH+](C)CCC(=O)NCCC1CCN([C@@H]2CCNC2=O)CC1 ZINC001438455580 1007918461 /nfs/dbraw/zinc/91/84/61/1007918461.db2.gz KZGNAQKAIXQCRQ-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC1([NH2+]CC(=O)N2CCC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001440613355 1007921256 /nfs/dbraw/zinc/92/12/56/1007921256.db2.gz NGTXVGCAMUQZRB-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001438470212 1007928314 /nfs/dbraw/zinc/92/83/14/1007928314.db2.gz TZQJGVXSWPROIK-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001440801813 1008034441 /nfs/dbraw/zinc/03/44/41/1008034441.db2.gz PBURBKYHQOJTTD-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001440853294 1008071062 /nfs/dbraw/zinc/07/10/62/1008071062.db2.gz GNHRPMNJCAYXEN-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001441065600 1008202524 /nfs/dbraw/zinc/20/25/24/1008202524.db2.gz BMFCCQHPNZYKAC-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CCO)C2)CC1 ZINC001441290050 1008308498 /nfs/dbraw/zinc/30/84/98/1008308498.db2.gz DREQOGMJPKOIMU-MRXNPFEDSA-N 1 3 311.470 0.881 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CCO)C2)CC1 ZINC001441290050 1008308502 /nfs/dbraw/zinc/30/85/02/1008308502.db2.gz DREQOGMJPKOIMU-MRXNPFEDSA-N 1 3 311.470 0.881 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001441355102 1008330862 /nfs/dbraw/zinc/33/08/62/1008330862.db2.gz VLPUQARMMOPDCK-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001441380918 1008339875 /nfs/dbraw/zinc/33/98/75/1008339875.db2.gz AOKUZVAPOPFXEM-IHRRRGAJSA-N 1 3 324.469 0.752 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)N1CCCC1 ZINC001441621627 1008427341 /nfs/dbraw/zinc/42/73/41/1008427341.db2.gz IHDYQACIPDFXCY-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)N1CCCC1 ZINC001441621627 1008427344 /nfs/dbraw/zinc/42/73/44/1008427344.db2.gz IHDYQACIPDFXCY-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](C(=O)N1CCCC[C@@H]1CNCC(N)=O)[NH+]1CCCCCC1 ZINC001441654892 1008442148 /nfs/dbraw/zinc/44/21/48/1008442148.db2.gz IKMKQAHJSTYIIO-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)C1=O ZINC001441663686 1008447266 /nfs/dbraw/zinc/44/72/66/1008447266.db2.gz YEYVQXQEPGRKTF-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N(C)CC2CC2)CN1C(=O)CC[NH+](C)C ZINC001441840912 1008555141 /nfs/dbraw/zinc/55/51/41/1008555141.db2.gz QBFMFJRRSNDECK-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001441919839 1008657303 /nfs/dbraw/zinc/65/73/03/1008657303.db2.gz PZFLLEIIRKTMFE-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+][C@@H]3CCNC3=O)CCCC2)C1 ZINC001421511877 1008675735 /nfs/dbraw/zinc/67/57/35/1008675735.db2.gz LJZCAISDTYAQFD-UONOGXRCSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC[C@H](C)C1 ZINC001441938867 1008678016 /nfs/dbraw/zinc/67/80/16/1008678016.db2.gz MLYAJPWQBSKVSZ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001421584904 1008756899 /nfs/dbraw/zinc/75/68/99/1008756899.db2.gz KMSGKWWGOBWESF-JOCQHMNTSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001421663493 1008890241 /nfs/dbraw/zinc/89/02/41/1008890241.db2.gz NPHJRBDGXPUFGO-AJNGGQMLSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001442062016 1008912536 /nfs/dbraw/zinc/91/25/36/1008912536.db2.gz IYEYRQKFAAJEKF-HOCLYGCPSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H](C)C(=O)NC)C(C)(C)C ZINC001442175235 1009055557 /nfs/dbraw/zinc/05/55/57/1009055557.db2.gz ZFTIMCSKLPHCLO-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CCc1nc([C@@H](C)NC2CC(N(C)C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001442252368 1009136249 /nfs/dbraw/zinc/13/62/49/1009136249.db2.gz LQKTZRMVTBYJID-PNESKVBLSA-N 1 3 322.457 0.959 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421864313 1009180064 /nfs/dbraw/zinc/18/00/64/1009180064.db2.gz UJBSQMGGALECIU-CQSZACIVSA-N 1 3 324.469 0.659 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C[C@H]2CCc3ncnn32)CC[N@@H+]1C ZINC001442414622 1009290542 /nfs/dbraw/zinc/29/05/42/1009290542.db2.gz PZWJLUMAPMJSCL-MGPQQGTHSA-N 1 3 320.441 0.154 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C[C@H]2CCc3ncnn32)CC[N@H+]1C ZINC001442414622 1009290551 /nfs/dbraw/zinc/29/05/51/1009290551.db2.gz PZWJLUMAPMJSCL-MGPQQGTHSA-N 1 3 320.441 0.154 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001433952453 1009391072 /nfs/dbraw/zinc/39/10/72/1009391072.db2.gz JCOICIYGOXDVQV-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001433952453 1009391085 /nfs/dbraw/zinc/39/10/85/1009391085.db2.gz JCOICIYGOXDVQV-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001422019392 1009406671 /nfs/dbraw/zinc/40/66/71/1009406671.db2.gz CCMCYTBJHZMWBA-BPLDGKMQSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001422042376 1009427745 /nfs/dbraw/zinc/42/77/45/1009427745.db2.gz DLWBBRQDSBKSKU-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001422072017 1009456712 /nfs/dbraw/zinc/45/67/12/1009456712.db2.gz ZLZRKKNVPMHWPK-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C[C@@H](C)O)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001422211291 1009655038 /nfs/dbraw/zinc/65/50/38/1009655038.db2.gz QNXKLIFDFIXQCB-CYBMUJFWSA-N 1 3 308.426 0.894 20 0 DCADHO CC[N@@H+](C[C@@H](C)O)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001422211291 1009655044 /nfs/dbraw/zinc/65/50/44/1009655044.db2.gz QNXKLIFDFIXQCB-CYBMUJFWSA-N 1 3 308.426 0.894 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422435919 1010078846 /nfs/dbraw/zinc/07/88/46/1010078846.db2.gz AZAFCTWIVKIVEQ-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@@H]1CCN(C)C1=O ZINC001422447561 1010099631 /nfs/dbraw/zinc/09/96/31/1010099631.db2.gz JHOOLJCQCHPRLR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@@H]1CCN(C)C1=O ZINC001422447561 1010099642 /nfs/dbraw/zinc/09/96/42/1010099642.db2.gz JHOOLJCQCHPRLR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCN(C(C)C)C1=O ZINC001443101588 1010140827 /nfs/dbraw/zinc/14/08/27/1010140827.db2.gz XNYMMJUCRIBFBB-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCN(C(C)C)C1=O ZINC001443101588 1010140829 /nfs/dbraw/zinc/14/08/29/1010140829.db2.gz XNYMMJUCRIBFBB-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]([NH2+]CCO)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001443150960 1010176025 /nfs/dbraw/zinc/17/60/25/1010176025.db2.gz XBHPIXIUCVIHNC-OAHLLOKOSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001422505366 1010198720 /nfs/dbraw/zinc/19/87/20/1010198720.db2.gz NIGNVVCTHZZALB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001422505366 1010198726 /nfs/dbraw/zinc/19/87/26/1010198726.db2.gz NIGNVVCTHZZALB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001443262577 1010272858 /nfs/dbraw/zinc/27/28/58/1010272858.db2.gz CGPXRFIZMRCZLY-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001443262577 1010272861 /nfs/dbraw/zinc/27/28/61/1010272861.db2.gz CGPXRFIZMRCZLY-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422548904 1010281947 /nfs/dbraw/zinc/28/19/47/1010281947.db2.gz IVSPFBRMBJYZLQ-ZOBORPQBSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001422548904 1010281956 /nfs/dbraw/zinc/28/19/56/1010281956.db2.gz IVSPFBRMBJYZLQ-ZOBORPQBSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CNCc1cc(CO)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422742894 1010556181 /nfs/dbraw/zinc/55/61/81/1010556181.db2.gz JZPURQPBBAQUEJ-GXTWGEPZSA-N 1 3 323.412 0.864 20 0 DCADHO C[C@@H](CNCc1cc(CO)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422742894 1010556192 /nfs/dbraw/zinc/55/61/92/1010556192.db2.gz JZPURQPBBAQUEJ-GXTWGEPZSA-N 1 3 323.412 0.864 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001520720789 1017306643 /nfs/dbraw/zinc/30/66/43/1017306643.db2.gz IVYJCOQTSQMUIM-ILXRZTDVSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001520720789 1017306654 /nfs/dbraw/zinc/30/66/54/1017306654.db2.gz IVYJCOQTSQMUIM-ILXRZTDVSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)CC[NH+]1CCCCC1 ZINC001422917968 1010737335 /nfs/dbraw/zinc/73/73/35/1010737335.db2.gz NDZZZHZATHEQEH-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422986367 1010788984 /nfs/dbraw/zinc/78/89/84/1010788984.db2.gz WMEFJCIIPPXTDB-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422986367 1010788989 /nfs/dbraw/zinc/78/89/89/1010788989.db2.gz WMEFJCIIPPXTDB-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCn1cncn1 ZINC001444012451 1010801608 /nfs/dbraw/zinc/80/16/08/1010801608.db2.gz CWTHVASCVOTGCN-GFCCVEGCSA-N 1 3 305.386 0.037 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001423060047 1010851686 /nfs/dbraw/zinc/85/16/86/1010851686.db2.gz NDVWAXUEHVVDFR-GJZGRUSLSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001423060047 1010851692 /nfs/dbraw/zinc/85/16/92/1010851692.db2.gz NDVWAXUEHVVDFR-GJZGRUSLSA-N 1 3 324.469 0.195 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(CC)C1=O ZINC001444254801 1010925085 /nfs/dbraw/zinc/92/50/85/1010925085.db2.gz IQIDBSBDDUSPSM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001423340355 1011088062 /nfs/dbraw/zinc/08/80/62/1011088062.db2.gz JSKQJWVAGUKEDN-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NCC ZINC001444611978 1011095233 /nfs/dbraw/zinc/09/52/33/1011095233.db2.gz KIGLDQKMNGLFJQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NCC ZINC001444611978 1011095238 /nfs/dbraw/zinc/09/52/38/1011095238.db2.gz KIGLDQKMNGLFJQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)CC[N@@H+]1C ZINC001444774010 1011167480 /nfs/dbraw/zinc/16/74/80/1011167480.db2.gz IOSZHOCILJJNEX-YUELXQCFSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)CC[N@H+]1C ZINC001444774010 1011167483 /nfs/dbraw/zinc/16/74/83/1011167483.db2.gz IOSZHOCILJJNEX-YUELXQCFSA-N 1 3 324.469 0.467 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001423479486 1011177797 /nfs/dbraw/zinc/17/77/97/1011177797.db2.gz DULDHXKCGVGZQS-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001423479486 1011177801 /nfs/dbraw/zinc/17/78/01/1011177801.db2.gz DULDHXKCGVGZQS-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N(CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001431621517 1011474629 /nfs/dbraw/zinc/47/46/29/1011474629.db2.gz GWNWGYHYKNSKPL-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001431621517 1011474636 /nfs/dbraw/zinc/47/46/36/1011474636.db2.gz GWNWGYHYKNSKPL-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(NC[C@@H](O)CNCc1ccccc1F)C12CC[NH+](CC1)C2 ZINC001445267211 1011596470 /nfs/dbraw/zinc/59/64/70/1011596470.db2.gz YDTHABZZCVFBBE-AWEZNQCLSA-N 1 3 321.396 0.488 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@@H](C)C(=O)NC ZINC001445311378 1011640378 /nfs/dbraw/zinc/64/03/78/1011640378.db2.gz ZYKFXUPDIQYION-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@@H](C)C(=O)NC ZINC001445311378 1011640383 /nfs/dbraw/zinc/64/03/83/1011640383.db2.gz ZYKFXUPDIQYION-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001431875814 1011738915 /nfs/dbraw/zinc/73/89/15/1011738915.db2.gz PZXJUIQDHORZFO-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431875814 1011738928 /nfs/dbraw/zinc/73/89/28/1011738928.db2.gz PZXJUIQDHORZFO-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423923357 1011740090 /nfs/dbraw/zinc/74/00/90/1011740090.db2.gz JCUYHFUAXVVCMA-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445420516 1011750572 /nfs/dbraw/zinc/75/05/72/1011750572.db2.gz VPJIXZIZLWCSCB-CHWSQXEVSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445438908 1011769898 /nfs/dbraw/zinc/76/98/98/1011769898.db2.gz RRNHYPSUSLSQTM-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445473666 1011798495 /nfs/dbraw/zinc/79/84/95/1011798495.db2.gz KQVFARXIYCTHBT-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445473666 1011798504 /nfs/dbraw/zinc/79/85/04/1011798504.db2.gz KQVFARXIYCTHBT-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO COc1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)on1 ZINC001424064535 1011941628 /nfs/dbraw/zinc/94/16/28/1011941628.db2.gz NXXZCVYKTITBQU-QWHCGFSZSA-N 1 3 324.425 0.819 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001445573666 1011948754 /nfs/dbraw/zinc/94/87/54/1011948754.db2.gz FUKPPJFYXBNRPL-AEGPPILISA-N 1 3 324.469 0.574 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001432084270 1011951616 /nfs/dbraw/zinc/95/16/16/1011951616.db2.gz PNAJQARYVNYGMD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001432084270 1011951627 /nfs/dbraw/zinc/95/16/27/1011951627.db2.gz PNAJQARYVNYGMD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC001553508753 1012050856 /nfs/dbraw/zinc/05/08/56/1012050856.db2.gz NBTJYYKBQSRPHV-INWMFGNUSA-N 1 3 308.426 0.372 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553533701 1012088520 /nfs/dbraw/zinc/08/85/20/1012088520.db2.gz VUIKUTNBRZMNDF-LJISPDSOSA-N 1 3 310.442 0.354 20 0 DCADHO CCCN(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001536875007 1012260679 /nfs/dbraw/zinc/26/06/79/1012260679.db2.gz QETDGZVCXHDHHG-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001536875007 1012260698 /nfs/dbraw/zinc/26/06/98/1012260698.db2.gz QETDGZVCXHDHHG-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001445851499 1012356767 /nfs/dbraw/zinc/35/67/67/1012356767.db2.gz WWGQNQUNCZYZDH-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CN(CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001432412208 1012452058 /nfs/dbraw/zinc/45/20/58/1012452058.db2.gz HDWZQUKESPOICN-CYBMUJFWSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001432412208 1012452069 /nfs/dbraw/zinc/45/20/69/1012452069.db2.gz HDWZQUKESPOICN-CYBMUJFWSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001458945329 1012486074 /nfs/dbraw/zinc/48/60/74/1012486074.db2.gz PFKGSLLFYAXIKB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001458945329 1012486089 /nfs/dbraw/zinc/48/60/89/1012486089.db2.gz PFKGSLLFYAXIKB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CC(N)=O)CC2CC2)CC1 ZINC001446305591 1012736382 /nfs/dbraw/zinc/73/63/82/1012736382.db2.gz OCMNEZSWWBUKTQ-UHFFFAOYSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](CC(N)=O)CC2CC2)CC1 ZINC001446305591 1012736396 /nfs/dbraw/zinc/73/63/96/1012736396.db2.gz OCMNEZSWWBUKTQ-UHFFFAOYSA-N 1 3 324.469 0.515 20 0 DCADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574575 1012746648 /nfs/dbraw/zinc/74/66/48/1012746648.db2.gz GGUHHTNNWMHSIY-GOEBONIOSA-N 1 3 303.406 0.794 20 0 DCADHO NC1(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)Cc2ccccc2C1 ZINC001548575237 1012746721 /nfs/dbraw/zinc/74/67/21/1012746721.db2.gz YOOUGUMLABIEGQ-OAHLLOKOSA-N 1 3 303.406 0.056 20 0 DCADHO O=C([C@H]1CNCc2ccccc21)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548587905 1012766757 /nfs/dbraw/zinc/76/67/57/1012766757.db2.gz OFYIBLLTRPJNSD-KRWDZBQOSA-N 1 3 315.417 0.853 20 0 DCADHO OC[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)COC[C@@H]2CCCN21 ZINC001461834308 1013038193 /nfs/dbraw/zinc/03/81/93/1013038193.db2.gz YRFFWIPPOHMYDW-LTIDMASMSA-N 1 3 309.454 0.429 20 0 DCADHO OC[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)COC[C@@H]2CCCN21 ZINC001461834308 1013038209 /nfs/dbraw/zinc/03/82/09/1013038209.db2.gz YRFFWIPPOHMYDW-LTIDMASMSA-N 1 3 309.454 0.429 20 0 DCADHO C[C@H]([NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCCC1)C(N)=O ZINC001506518659 1017335733 /nfs/dbraw/zinc/33/57/33/1017335733.db2.gz IOTBWHYAIKBTER-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497054102 1017790972 /nfs/dbraw/zinc/79/09/72/1017790972.db2.gz NMODOTMRZGXNMQ-SWLSCSKDSA-N 1 3 303.422 0.676 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001497126526 1017900024 /nfs/dbraw/zinc/90/00/24/1017900024.db2.gz MNDDJMKQWUOLBC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)[C@H](C)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001479875756 1017920692 /nfs/dbraw/zinc/92/06/92/1017920692.db2.gz GRDFSHOXMWIODS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001479875756 1017920708 /nfs/dbraw/zinc/92/07/08/1017920708.db2.gz GRDFSHOXMWIODS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN(C)C1CCC1 ZINC001497205656 1017968799 /nfs/dbraw/zinc/96/87/99/1017968799.db2.gz LQCIUEMHJHVJQE-LBPRGKRZSA-N 1 3 308.430 0.284 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN2CCN(CCCF)CC2)C1 ZINC001479937909 1018006669 /nfs/dbraw/zinc/00/66/69/1018006669.db2.gz GTSOFBQFKWXKGJ-HNNXBMFYSA-N 1 3 314.449 0.422 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN2CCN(CCCF)CC2)C1 ZINC001479937909 1018006686 /nfs/dbraw/zinc/00/66/86/1018006686.db2.gz GTSOFBQFKWXKGJ-HNNXBMFYSA-N 1 3 314.449 0.422 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN2CCN(CC3CC3)CC2)C1 ZINC001479940564 1018009159 /nfs/dbraw/zinc/00/91/59/1018009159.db2.gz WQRRCZRCNUUKJX-INIZCTEOSA-N 1 3 308.470 0.472 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCN2CCN(CC3CC3)CC2)C1 ZINC001479940564 1018009173 /nfs/dbraw/zinc/00/91/73/1018009173.db2.gz WQRRCZRCNUUKJX-INIZCTEOSA-N 1 3 308.470 0.472 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2CNCCF)n1 ZINC001499896260 1018122468 /nfs/dbraw/zinc/12/24/68/1018122468.db2.gz HYEABDWVWOIMTR-CYBMUJFWSA-N 1 3 311.405 0.608 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC(=O)N2CCC2)CCC1 ZINC001499901658 1018125852 /nfs/dbraw/zinc/12/58/52/1018125852.db2.gz VARMGEHZIMZHOJ-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CCCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001499950969 1018150617 /nfs/dbraw/zinc/15/06/17/1018150617.db2.gz SEILGHSIOVZFPX-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001499950969 1018150623 /nfs/dbraw/zinc/15/06/23/1018150623.db2.gz SEILGHSIOVZFPX-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001497485575 1018163903 /nfs/dbraw/zinc/16/39/03/1018163903.db2.gz DTFPONNGAZVIRG-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001480087340 1018192801 /nfs/dbraw/zinc/19/28/01/1018192801.db2.gz JOQQGFYWGGYYAO-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001480087340 1018192815 /nfs/dbraw/zinc/19/28/15/1018192815.db2.gz JOQQGFYWGGYYAO-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001497679447 1018330150 /nfs/dbraw/zinc/33/01/50/1018330150.db2.gz IFKWYNYNBWJBTB-YJQVQVLHSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001497679447 1018330159 /nfs/dbraw/zinc/33/01/59/1018330159.db2.gz IFKWYNYNBWJBTB-YJQVQVLHSA-N 1 3 322.453 0.211 20 0 DCADHO CCc1nc([C@@H](C)NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001497895544 1018503035 /nfs/dbraw/zinc/50/30/35/1018503035.db2.gz TYLCSGMFQUSIDK-VXGBXAGGSA-N 1 3 322.457 0.864 20 0 DCADHO CNC(=O)[C@H](C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001495505202 1018546212 /nfs/dbraw/zinc/54/62/12/1018546212.db2.gz MXTXUPVDVCJBSQ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001480460630 1018554917 /nfs/dbraw/zinc/55/49/17/1018554917.db2.gz ADPMHABKCDOOCH-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498042791 1018606554 /nfs/dbraw/zinc/60/65/54/1018606554.db2.gz ASMJKTBPEYXBJE-SWLSCSKDSA-N 1 3 322.453 0.043 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)n1 ZINC001480537880 1018636908 /nfs/dbraw/zinc/63/69/08/1018636908.db2.gz QYUUZOXPECUNLO-QWHCGFSZSA-N 1 3 322.457 0.331 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001498117600 1018664377 /nfs/dbraw/zinc/66/43/77/1018664377.db2.gz FSAJCOPVHCNKRM-KBPBESRZSA-N 1 3 307.442 0.399 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001480573066 1018671157 /nfs/dbraw/zinc/67/11/57/1018671157.db2.gz FLKUKNMIPOXEPG-JSGCOSHPSA-N 1 3 308.426 0.320 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)n1 ZINC001480595477 1018693046 /nfs/dbraw/zinc/69/30/46/1018693046.db2.gz BDCSAXNNIRIHAG-GFCCVEGCSA-N 1 3 310.446 0.329 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001480624903 1018718503 /nfs/dbraw/zinc/71/85/03/1018718503.db2.gz POSVBTVNGHCUGO-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001480667040 1018758433 /nfs/dbraw/zinc/75/84/33/1018758433.db2.gz ZHWMIQWQIAJMEC-TZMCWYRMSA-N 1 3 321.425 0.434 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC)C2 ZINC001501013561 1018806395 /nfs/dbraw/zinc/80/63/95/1018806395.db2.gz SUFOGBNLNYEUMA-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC)C2 ZINC001501013561 1018806413 /nfs/dbraw/zinc/80/64/13/1018806413.db2.gz SUFOGBNLNYEUMA-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001498308082 1018928349 /nfs/dbraw/zinc/92/83/49/1018928349.db2.gz ILRMCGCYMCIQMA-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[NH2+]C1CCN(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001501285773 1019009848 /nfs/dbraw/zinc/00/98/48/1019009848.db2.gz IYHGYJULUKWZBG-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496146011 1019111957 /nfs/dbraw/zinc/11/19/57/1019111957.db2.gz SAOWQMNDQDEILG-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496146011 1019111967 /nfs/dbraw/zinc/11/19/67/1019111967.db2.gz SAOWQMNDQDEILG-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496208818 1019164159 /nfs/dbraw/zinc/16/41/59/1019164159.db2.gz YMLZEPKWISVSAF-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCNCc2cnns2)C1 ZINC001498612427 1019268025 /nfs/dbraw/zinc/26/80/25/1019268025.db2.gz ILUDVRWMMGJAHB-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNCc2cnns2)C1 ZINC001498612427 1019268036 /nfs/dbraw/zinc/26/80/36/1019268036.db2.gz ILUDVRWMMGJAHB-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001498630563 1019284375 /nfs/dbraw/zinc/28/43/75/1019284375.db2.gz TZEBVJVYZHRSBF-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001501647057 1019349184 /nfs/dbraw/zinc/34/91/84/1019349184.db2.gz AWDDESYRUIVRDQ-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001498873024 1019493523 /nfs/dbraw/zinc/49/35/23/1019493523.db2.gz IGMKZEALIWOFCW-ZBFHGGJFSA-N 1 3 324.469 0.337 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493725771 1019662330 /nfs/dbraw/zinc/66/23/30/1019662330.db2.gz MYJNJSIRSZYTJU-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493725771 1019662341 /nfs/dbraw/zinc/66/23/41/1019662341.db2.gz MYJNJSIRSZYTJU-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cnnc1CNC[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001496903303 1019746264 /nfs/dbraw/zinc/74/62/64/1019746264.db2.gz GMEUZTQOXNPNPR-STQMWFEESA-N 1 3 308.430 0.141 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494075950 1019966254 /nfs/dbraw/zinc/96/62/54/1019966254.db2.gz ZISWSBYJQJWKPZ-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494075950 1019966268 /nfs/dbraw/zinc/96/62/68/1019966268.db2.gz ZISWSBYJQJWKPZ-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001494191979 1020063356 /nfs/dbraw/zinc/06/33/56/1020063356.db2.gz YMMQTDQYGCBGIS-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001494191979 1020063366 /nfs/dbraw/zinc/06/33/66/1020063366.db2.gz YMMQTDQYGCBGIS-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001660723285 1174042042 /nfs/dbraw/zinc/04/20/42/1174042042.db2.gz UZLMAEFVSLCZMS-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C(N)=O)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001660723285 1174042047 /nfs/dbraw/zinc/04/20/47/1174042047.db2.gz UZLMAEFVSLCZMS-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000419764788 283165897 /nfs/dbraw/zinc/16/58/97/283165897.db2.gz PRBZXEWKJRFXMV-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000419764788 283165899 /nfs/dbraw/zinc/16/58/99/283165899.db2.gz PRBZXEWKJRFXMV-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000167215179 237123599 /nfs/dbraw/zinc/12/35/99/237123599.db2.gz IVXJMZHILQAXME-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000420022385 240004303 /nfs/dbraw/zinc/00/43/03/240004303.db2.gz VTNJEQYKZXAVRG-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO O=c1n2ccccc2nn1CCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332082 240021375 /nfs/dbraw/zinc/02/13/75/240021375.db2.gz RGPFCNGSEOYAEL-LSDHHAIUSA-N 1 3 315.421 0.818 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000422103574 240128144 /nfs/dbraw/zinc/12/81/44/240128144.db2.gz HPKVCEFIEZNVFX-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000421512736 240087744 /nfs/dbraw/zinc/08/77/44/240087744.db2.gz JRCXTHXIZLFNOP-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000421512736 240087750 /nfs/dbraw/zinc/08/77/50/240087750.db2.gz JRCXTHXIZLFNOP-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000421512736 240087754 /nfs/dbraw/zinc/08/77/54/240087754.db2.gz JRCXTHXIZLFNOP-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO [NH3+][C@H]1CCCCC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422696190 240179415 /nfs/dbraw/zinc/17/94/15/240179415.db2.gz QYHDVPOBBPJDAF-HOTGVXAUSA-N 1 3 318.469 0.848 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000571419078 291513688 /nfs/dbraw/zinc/51/36/88/291513688.db2.gz NNOSVAZRQQMIEK-BFHYXJOUSA-N 1 3 312.458 0.465 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000571676491 291527329 /nfs/dbraw/zinc/52/73/29/291527329.db2.gz VLPWAWPMDMAKIK-LBPRGKRZSA-N 1 3 311.426 0.518 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000572722690 291585474 /nfs/dbraw/zinc/58/54/74/291585474.db2.gz NABQRRHFOVHWAG-HNNXBMFYSA-N 1 3 304.394 0.370 20 0 DCADHO COCC1(CNC(=O)C[C@H]2CSCCN2)CC[NH2+]CC1 ZINC000573954170 291665676 /nfs/dbraw/zinc/66/56/76/291665676.db2.gz XEVHVEQYEHPJAA-LBPRGKRZSA-N 1 3 301.456 0.214 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000339580083 253108442 /nfs/dbraw/zinc/10/84/42/253108442.db2.gz DXUINCSZKINYMD-UHFFFAOYSA-N 1 3 300.447 0.243 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339597476 253111770 /nfs/dbraw/zinc/11/17/70/253111770.db2.gz MAAJYSYHIQSUCD-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000340202789 253215913 /nfs/dbraw/zinc/21/59/13/253215913.db2.gz QCKJOQXPRYMPIX-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000340202789 253215914 /nfs/dbraw/zinc/21/59/14/253215914.db2.gz QCKJOQXPRYMPIX-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000340266718 253227819 /nfs/dbraw/zinc/22/78/19/253227819.db2.gz VSWBXFJUJHKJQX-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340496779 253266734 /nfs/dbraw/zinc/26/67/34/253266734.db2.gz GXLZFVVZOCTUNF-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340496779 253266735 /nfs/dbraw/zinc/26/67/35/253266735.db2.gz GXLZFVVZOCTUNF-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000347080278 254127211 /nfs/dbraw/zinc/12/72/11/254127211.db2.gz XFHANGGWOMWVTC-AWEZNQCLSA-N 1 3 301.394 0.850 20 0 DCADHO Cc1cccn2c(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cnc12 ZINC000347136128 254132911 /nfs/dbraw/zinc/13/29/11/254132911.db2.gz UASTWYOFLZIJAQ-AWEZNQCLSA-N 1 3 315.421 0.930 20 0 DCADHO C[C@H](CC(N)=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347282270 254144646 /nfs/dbraw/zinc/14/46/46/254144646.db2.gz ZICYCHOZDBPVQW-HIFRSBDPSA-N 1 3 320.437 0.129 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000347974888 254207950 /nfs/dbraw/zinc/20/79/50/254207950.db2.gz WCFBFXYBQIPHKN-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347999132 254211014 /nfs/dbraw/zinc/21/10/14/254211014.db2.gz GBRIBACDTVXSQM-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347999132 254211015 /nfs/dbraw/zinc/21/10/15/254211015.db2.gz GBRIBACDTVXSQM-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000348836603 254260296 /nfs/dbraw/zinc/26/02/96/254260296.db2.gz DSMZZVWDQSIYCP-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349930736 254304605 /nfs/dbraw/zinc/30/46/05/254304605.db2.gz FTQVNYOSGANUEW-KGLIPLIRSA-N 1 3 310.442 0.491 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000349930736 254304607 /nfs/dbraw/zinc/30/46/07/254304607.db2.gz FTQVNYOSGANUEW-KGLIPLIRSA-N 1 3 310.442 0.491 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000351556793 254346758 /nfs/dbraw/zinc/34/67/58/254346758.db2.gz HFEGRTVETLFIHJ-HNNXBMFYSA-N 1 3 318.421 0.233 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000352086258 254396593 /nfs/dbraw/zinc/39/65/93/254396593.db2.gz BIOLLODXFUKXFW-DGCLKSJQSA-N 1 3 300.447 0.178 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCN(C)CCCOC)C1 ZINC000337645019 285262984 /nfs/dbraw/zinc/26/29/84/285262984.db2.gz IBXWFZJXWRKEBT-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCN(C)CCCOC)C1 ZINC000337645019 285262986 /nfs/dbraw/zinc/26/29/86/285262986.db2.gz IBXWFZJXWRKEBT-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000343438950 285322068 /nfs/dbraw/zinc/32/20/68/285322068.db2.gz NXIXVYRAVMALCM-PMPSAXMXSA-N 1 3 310.486 0.764 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417760035 262260415 /nfs/dbraw/zinc/26/04/15/262260415.db2.gz XCHSMBRZQRMZNU-CQSZACIVSA-N 1 3 300.447 0.725 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000340214131 131204674 /nfs/dbraw/zinc/20/46/74/131204674.db2.gz GPWFITMTSWILDQ-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000340214131 131204676 /nfs/dbraw/zinc/20/46/76/131204676.db2.gz GPWFITMTSWILDQ-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CSCN2)CC1 ZINC000236875658 395899923 /nfs/dbraw/zinc/89/99/23/395899923.db2.gz MZXWWHXIJLXFBC-ZDUSSCGKSA-N 1 3 300.472 0.183 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237068264 395902477 /nfs/dbraw/zinc/90/24/77/395902477.db2.gz VOZURQRWDIXMIT-CQSZACIVSA-N 1 3 320.441 0.807 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000237215372 395907019 /nfs/dbraw/zinc/90/70/19/395907019.db2.gz CYVBSYHHTOHZMT-QGZVFWFLSA-N 1 3 316.449 0.802 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)N1CCCCCC1 ZINC000237468704 395913528 /nfs/dbraw/zinc/91/35/28/395913528.db2.gz NETFRIGTBXMZDJ-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)Cn1cccn1 ZINC000245581122 395932493 /nfs/dbraw/zinc/93/24/93/395932493.db2.gz CMFVTYLLQDFYOO-MRXNPFEDSA-N 1 3 309.458 0.202 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)Cn1cccn1 ZINC000245581122 395932495 /nfs/dbraw/zinc/93/24/95/395932495.db2.gz CMFVTYLLQDFYOO-MRXNPFEDSA-N 1 3 309.458 0.202 20 0 DCADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000262182073 396107793 /nfs/dbraw/zinc/10/77/93/396107793.db2.gz RAJOUCQKOGNYMI-MRXNPFEDSA-N 1 3 308.470 0.472 20 0 DCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000262182073 396107798 /nfs/dbraw/zinc/10/77/98/396107798.db2.gz RAJOUCQKOGNYMI-MRXNPFEDSA-N 1 3 308.470 0.472 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263229962 396207909 /nfs/dbraw/zinc/20/79/09/396207909.db2.gz HXCWUMJGPNSCBX-HIFRSBDPSA-N 1 3 312.458 0.180 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263229962 396207914 /nfs/dbraw/zinc/20/79/14/396207914.db2.gz HXCWUMJGPNSCBX-HIFRSBDPSA-N 1 3 312.458 0.180 20 0 DCADHO C[NH+]1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000077542968 396225717 /nfs/dbraw/zinc/22/57/17/396225717.db2.gz LEEOBSHNDUHLIW-UHFFFAOYSA-N 1 3 324.469 0.834 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000077796842 396233380 /nfs/dbraw/zinc/23/33/80/396233380.db2.gz NRAOBLKIJHAFSU-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@H](NCCCS(N)(=O)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710078 396333296 /nfs/dbraw/zinc/33/32/96/396333296.db2.gz UOTAKGXKGOIWAY-STQMWFEESA-N 1 3 303.472 0.908 20 0 DCADHO C[C@H](NCCCS(N)(=O)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710078 396333299 /nfs/dbraw/zinc/33/32/99/396333299.db2.gz UOTAKGXKGOIWAY-STQMWFEESA-N 1 3 303.472 0.908 20 0 DCADHO C[C@H]([NH2+]CCCS(N)(=O)=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185710078 396333302 /nfs/dbraw/zinc/33/33/02/396333302.db2.gz UOTAKGXKGOIWAY-STQMWFEESA-N 1 3 303.472 0.908 20 0 DCADHO C[C@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C(=O)/C=C/CN(C)C ZINC000265707414 396338330 /nfs/dbraw/zinc/33/83/30/396338330.db2.gz TWTIJNZJCBYTBQ-AGJGTZJVSA-N 1 3 310.442 0.185 20 0 DCADHO C[C@H](CNC(=O)/C=C/CN(C)C)N(C)C(=O)/C=C/C[NH+](C)C ZINC000265707414 396338333 /nfs/dbraw/zinc/33/83/33/396338333.db2.gz TWTIJNZJCBYTBQ-AGJGTZJVSA-N 1 3 310.442 0.185 20 0 DCADHO CSC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000187868374 396375460 /nfs/dbraw/zinc/37/54/60/396375460.db2.gz OZGUWVPOTLUYNH-CYBMUJFWSA-N 1 3 303.472 0.100 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000269242282 396399012 /nfs/dbraw/zinc/39/90/12/396399012.db2.gz BPTGOUCTRUJHBD-INIZCTEOSA-N 1 3 304.438 0.483 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000372025315 396483489 /nfs/dbraw/zinc/48/34/89/396483489.db2.gz HSQNTZACLPANNN-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000372025315 396483492 /nfs/dbraw/zinc/48/34/92/396483492.db2.gz HSQNTZACLPANNN-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO Cc1cc(C(=O)NCCN(C)C)cc(C(=O)NCC[NH+](C)C)c1 ZINC000291430488 396490673 /nfs/dbraw/zinc/49/06/73/396490673.db2.gz JFYLZJOTDXSNCH-UHFFFAOYSA-N 1 3 320.437 0.578 20 0 DCADHO COC[C@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]C1 ZINC000580184065 396491300 /nfs/dbraw/zinc/49/13/00/396491300.db2.gz XWCSJMOOGKMYQG-INIZCTEOSA-N 1 3 319.409 0.056 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@H]2CSCCN2)CC1 ZINC000580187869 396492115 /nfs/dbraw/zinc/49/21/15/396492115.db2.gz GLASGNAOCVIWJJ-KBPBESRZSA-N 1 3 315.483 0.291 20 0 DCADHO CCOC[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000580709853 396494307 /nfs/dbraw/zinc/49/43/07/396494307.db2.gz OTQXYZWPHPUSIS-GOSISDBHSA-N 1 3 321.465 0.921 20 0 DCADHO CCN1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000581128904 396528129 /nfs/dbraw/zinc/52/81/29/396528129.db2.gz HULWTGHIHITICP-CYBMUJFWSA-N 1 3 306.414 0.244 20 0 DCADHO N[C@H]1C[C@@H]2CN(C(=O)[C@H]([NH3+])CC3CCCCC3)CCN2C1=O ZINC000594878114 396534454 /nfs/dbraw/zinc/53/44/54/396534454.db2.gz MWINLDMLTFMDIV-MCIONIFRSA-N 1 3 308.426 0.055 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000581884818 396590482 /nfs/dbraw/zinc/59/04/82/396590482.db2.gz ZUXARVLULSZVBD-UONOGXRCSA-N 1 3 302.802 0.387 20 0 DCADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000582006657 396601186 /nfs/dbraw/zinc/60/11/86/396601186.db2.gz QTDWMFYQBSDMBK-YPMHNXCESA-N 1 3 312.439 0.533 20 0 DCADHO CN(C)CCn1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000582428841 396610678 /nfs/dbraw/zinc/61/06/78/396610678.db2.gz BAVOYGQDOCKTSZ-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO CN(C)CCn1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000582428841 396610680 /nfs/dbraw/zinc/61/06/80/396610680.db2.gz BAVOYGQDOCKTSZ-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000584770135 396621691 /nfs/dbraw/zinc/62/16/91/396621691.db2.gz MLWGATDCMVSXEG-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000561199172 396633812 /nfs/dbraw/zinc/63/38/12/396633812.db2.gz PMAUIBCSRAQHSY-KBPBESRZSA-N 1 3 312.458 0.785 20 0 DCADHO COC(=O)CCN1CC[C@H](N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000595889701 396676794 /nfs/dbraw/zinc/67/67/94/396676794.db2.gz VLOMIWVBLQBHQY-XUXIUFHCSA-N 1 3 309.410 0.210 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)[C@@H]2C1 ZINC000563086263 396700724 /nfs/dbraw/zinc/70/07/24/396700724.db2.gz FYUWUJULUPENNE-LALPHHSUSA-N 1 3 303.410 0.653 20 0 DCADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000629558517 396786031 /nfs/dbraw/zinc/78/60/31/396786031.db2.gz IWDWWZXXZOHHJB-OAHLLOKOSA-N 1 3 309.385 0.602 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000315838333 396790788 /nfs/dbraw/zinc/79/07/88/396790788.db2.gz VQUQWIVSHHVJNG-ZDUSSCGKSA-N 1 3 311.426 0.459 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000563618884 396762458 /nfs/dbraw/zinc/76/24/58/396762458.db2.gz QOSIEVQHQCVCCW-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO c1ccn2c(c1)nnc2[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000563712077 396770554 /nfs/dbraw/zinc/77/05/54/396770554.db2.gz DJLBQSGFXBTNEP-HNNXBMFYSA-N 1 3 314.437 0.814 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000629524871 396776369 /nfs/dbraw/zinc/77/63/69/396776369.db2.gz VFXGUPBKZROZPN-MCIONIFRSA-N 1 3 315.425 0.681 20 0 DCADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634259619 396822707 /nfs/dbraw/zinc/82/27/07/396822707.db2.gz NAJNQKHVXJPHME-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COC[C@@]1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[NH2+]C1 ZINC000564828805 396875255 /nfs/dbraw/zinc/87/52/55/396875255.db2.gz OKVOPGCOMCCHET-ZMSDIMECSA-N 1 3 321.396 0.705 20 0 DCADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)COC)cc2)CC1 ZINC000564845185 396880149 /nfs/dbraw/zinc/88/01/49/396880149.db2.gz ROOHMRXZFIPFHM-SFHVURJKSA-N 1 3 321.465 0.921 20 0 DCADHO CCOC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000564852978 396882143 /nfs/dbraw/zinc/88/21/43/396882143.db2.gz WFHVFWJSDWHDOZ-OWCLPIDISA-N 1 3 300.443 0.741 20 0 DCADHO CCOC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000564852978 396882148 /nfs/dbraw/zinc/88/21/48/396882148.db2.gz WFHVFWJSDWHDOZ-OWCLPIDISA-N 1 3 300.443 0.741 20 0 DCADHO CCOC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000564852980 396882575 /nfs/dbraw/zinc/88/25/75/396882575.db2.gz WFHVFWJSDWHDOZ-PMPSAXMXSA-N 1 3 300.443 0.741 20 0 DCADHO CCOC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000564852980 396882577 /nfs/dbraw/zinc/88/25/77/396882577.db2.gz WFHVFWJSDWHDOZ-PMPSAXMXSA-N 1 3 300.443 0.741 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000333472931 396926164 /nfs/dbraw/zinc/92/61/64/396926164.db2.gz DOPDCPLTAYPNIX-VNQPRFMTSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000333472931 396926168 /nfs/dbraw/zinc/92/61/68/396926168.db2.gz DOPDCPLTAYPNIX-VNQPRFMTSA-N 1 3 322.453 0.633 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000611954900 396958787 /nfs/dbraw/zinc/95/87/87/396958787.db2.gz FBAOJQHHUZDUPG-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000611954900 396958789 /nfs/dbraw/zinc/95/87/89/396958789.db2.gz FBAOJQHHUZDUPG-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000348161795 397037627 /nfs/dbraw/zinc/03/76/27/397037627.db2.gz RYXHAUBDXMHOED-CVEARBPZSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000340775883 396972267 /nfs/dbraw/zinc/97/22/67/396972267.db2.gz NWCOZMUWBUHLQW-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCN(CC)CC2)CC[N@@H+]1C ZINC000630734228 397095179 /nfs/dbraw/zinc/09/51/79/397095179.db2.gz UTRUMIYMRCLMDX-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCN(CC)CC2)CC[N@H+]1C ZINC000630734228 397095182 /nfs/dbraw/zinc/09/51/82/397095182.db2.gz UTRUMIYMRCLMDX-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377577724 397106125 /nfs/dbraw/zinc/10/61/25/397106125.db2.gz WBRZUENQQZWMRE-IMJJTQAJSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377577724 397106127 /nfs/dbraw/zinc/10/61/27/397106127.db2.gz WBRZUENQQZWMRE-IMJJTQAJSA-N 1 3 322.453 0.633 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@@H]1C[NH3+] ZINC000573108095 397134726 /nfs/dbraw/zinc/13/47/26/397134726.db2.gz BRYUEJIDOXAINJ-XQLPTFJDSA-N 1 3 322.453 0.125 20 0 DCADHO COCCn1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000630931448 397138513 /nfs/dbraw/zinc/13/85/13/397138513.db2.gz QLUYNHWLDVPGFE-UHFFFAOYSA-N 1 3 311.430 0.095 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573221440 397146462 /nfs/dbraw/zinc/14/64/62/397146462.db2.gz CWWZMLBNGYFBDY-LBPRGKRZSA-N 1 3 320.393 0.173 20 0 DCADHO CCN(CCO)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000573337312 397159867 /nfs/dbraw/zinc/15/98/67/397159867.db2.gz MJRPAMPUFIJLTD-UHFFFAOYSA-N 1 3 307.438 0.835 20 0 DCADHO C[C@@H](NC1CC1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000573443116 397168154 /nfs/dbraw/zinc/16/81/54/397168154.db2.gz VOVHIRBACRPKNJ-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCCN(CCCO)C1 ZINC000612983666 397171952 /nfs/dbraw/zinc/17/19/52/397171952.db2.gz QLEHZIBQRIIQKB-ZIAGYGMSSA-N 1 3 310.442 0.275 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000572959273 397115796 /nfs/dbraw/zinc/11/57/96/397115796.db2.gz BCAFUTKKBVNVLW-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377636387 397117207 /nfs/dbraw/zinc/11/72/07/397117207.db2.gz HCKLEZLCIHYZLH-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377636387 397117212 /nfs/dbraw/zinc/11/72/12/397117212.db2.gz HCKLEZLCIHYZLH-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000574041069 397230560 /nfs/dbraw/zinc/23/05/60/397230560.db2.gz ZONANVMJPZNDCP-ZDUSSCGKSA-N 1 3 308.430 0.665 20 0 DCADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000574451305 397269075 /nfs/dbraw/zinc/26/90/75/397269075.db2.gz FXDQKPWHUJASFI-GHMZBOCLSA-N 1 3 307.402 0.060 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592959834 397304216 /nfs/dbraw/zinc/30/42/16/397304216.db2.gz WXQYMXKUMMAGFK-CHWSQXEVSA-N 1 3 305.426 0.885 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000577833221 397364582 /nfs/dbraw/zinc/36/45/82/397364582.db2.gz AONHMEOLTLJTLJ-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000416006163 397370534 /nfs/dbraw/zinc/37/05/34/397370534.db2.gz KXOYTAHSJBRQRW-NXEZZACHSA-N 1 3 312.336 0.286 20 0 DCADHO COC(=O)c1cc(CNCC2CC[NH+](CCN(C)C)CC2)on1 ZINC000602544070 397434989 /nfs/dbraw/zinc/43/49/89/397434989.db2.gz IQIFEZRVCIZZAE-UHFFFAOYSA-N 1 3 324.425 0.824 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000578504646 397444302 /nfs/dbraw/zinc/44/43/02/397444302.db2.gz WODKUKHAQQIMIK-OAHLLOKOSA-N 1 3 311.474 0.535 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000471634123 397448879 /nfs/dbraw/zinc/44/88/79/397448879.db2.gz DMKPUFQABBGUMD-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471642965 397449733 /nfs/dbraw/zinc/44/97/33/397449733.db2.gz FUGCAIGETCUTFC-OAHLLOKOSA-N 1 3 314.474 0.842 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471642965 397449737 /nfs/dbraw/zinc/44/97/37/397449737.db2.gz FUGCAIGETCUTFC-OAHLLOKOSA-N 1 3 314.474 0.842 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471652773 397451822 /nfs/dbraw/zinc/45/18/22/397451822.db2.gz HAMYPFUHGRQBOE-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471652773 397451826 /nfs/dbraw/zinc/45/18/26/397451826.db2.gz HAMYPFUHGRQBOE-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CN(C)C/C=C\C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000492178319 397516432 /nfs/dbraw/zinc/51/64/32/397516432.db2.gz CSICPKMHBPHABH-RQTGCPSESA-N 1 3 309.454 0.988 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579737547 397591516 /nfs/dbraw/zinc/59/15/16/397591516.db2.gz NRULDYUEFFIYRM-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000605964001 397675476 /nfs/dbraw/zinc/67/54/76/397675476.db2.gz VYNHTPVEECKDCC-HNNXBMFYSA-N 1 3 313.490 0.653 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)C)CC1=O ZINC000608012912 397714236 /nfs/dbraw/zinc/71/42/36/397714236.db2.gz MAYRLGILYOUUKN-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(CC)CCC[NH2+]2)CC1 ZINC000134620259 158328530 /nfs/dbraw/zinc/32/85/30/158328530.db2.gz BQINKWAHZZPHQN-RDJZCZTQSA-N 1 3 310.486 0.908 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000316702252 159002940 /nfs/dbraw/zinc/00/29/40/159002940.db2.gz IWNCTTMCIUZULK-BZUAXINKSA-N 1 3 303.406 0.536 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000316702252 159002941 /nfs/dbraw/zinc/00/29/41/159002941.db2.gz IWNCTTMCIUZULK-BZUAXINKSA-N 1 3 303.406 0.536 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000359273617 159259420 /nfs/dbraw/zinc/25/94/20/159259420.db2.gz NHQVTVXNCNRXKH-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000359273617 159259421 /nfs/dbraw/zinc/25/94/21/159259421.db2.gz NHQVTVXNCNRXKH-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000368500572 159398280 /nfs/dbraw/zinc/39/82/80/159398280.db2.gz CSCQKABGLWOUSY-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000368500572 159398282 /nfs/dbraw/zinc/39/82/82/159398282.db2.gz CSCQKABGLWOUSY-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC001647557807 1172970463 /nfs/dbraw/zinc/97/04/63/1172970463.db2.gz GEWXDHMMLJGDJK-GVDBMIGSSA-N 1 3 310.438 0.763 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000151170630 287032222 /nfs/dbraw/zinc/03/22/22/287032222.db2.gz WMJJWYKEVJYQGY-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000187123253 287058584 /nfs/dbraw/zinc/05/85/84/287058584.db2.gz CLAIWTNJFQKISN-GJZGRUSLSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000187123253 287058585 /nfs/dbraw/zinc/05/85/85/287058585.db2.gz CLAIWTNJFQKISN-GJZGRUSLSA-N 1 3 314.474 0.720 20 0 DCADHO C[C@@H]1COCCN1CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000192771965 287059825 /nfs/dbraw/zinc/05/98/25/287059825.db2.gz AXLTZAAYNTUIFG-MRXNPFEDSA-N 1 3 312.502 0.665 20 0 DCADHO C[C@@H]1COCCN1CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000192771965 287059827 /nfs/dbraw/zinc/05/98/27/287059827.db2.gz AXLTZAAYNTUIFG-MRXNPFEDSA-N 1 3 312.502 0.665 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000245421386 287069295 /nfs/dbraw/zinc/06/92/95/287069295.db2.gz CQEDVOYFWHZKIN-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000245421386 287069297 /nfs/dbraw/zinc/06/92/97/287069297.db2.gz CQEDVOYFWHZKIN-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCS(=O)(=O)C[C@H](C)[NH2+]CCCCN1CCC[C@H]1CO ZINC000245991392 287075090 /nfs/dbraw/zinc/07/50/90/287075090.db2.gz DFAVJACXSMIHSU-KBPBESRZSA-N 1 3 306.472 0.636 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cn2cccn2)[C@@H](C)C1 ZINC000248941547 287103801 /nfs/dbraw/zinc/10/38/01/287103801.db2.gz CSGJOJKJQHYUGR-BBWFWOEESA-N 1 3 324.469 0.971 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cn2cccn2)[C@@H](C)C1 ZINC000248941547 287103802 /nfs/dbraw/zinc/10/38/02/287103802.db2.gz CSGJOJKJQHYUGR-BBWFWOEESA-N 1 3 324.469 0.971 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000354957807 287171761 /nfs/dbraw/zinc/17/17/61/287171761.db2.gz GZZLRZCVPFCDQO-ZIAGYGMSSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000354957807 287171763 /nfs/dbraw/zinc/17/17/63/287171763.db2.gz GZZLRZCVPFCDQO-ZIAGYGMSSA-N 1 3 310.442 0.369 20 0 DCADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(CC[NH3+])CCO)N(C)C ZINC000418179752 287241213 /nfs/dbraw/zinc/24/12/13/287241213.db2.gz JTLQRKZGBWSCCH-HOCLYGCPSA-N 1 3 322.453 0.949 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418539274 287250252 /nfs/dbraw/zinc/25/02/52/287250252.db2.gz FNVJCMZXEPOGHG-UONOGXRCSA-N 1 3 311.474 0.534 20 0 DCADHO C[N@H+](CCCCNC(=O)C(=O)N1CCCC[C@@H]1CN)C1CC1 ZINC000418996321 287260499 /nfs/dbraw/zinc/26/04/99/287260499.db2.gz SKTHRKPUGYXCFK-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@@H+](CCCCNC(=O)C(=O)N1CCCC[C@@H]1CN)C1CC1 ZINC000418996321 287260502 /nfs/dbraw/zinc/26/05/02/287260502.db2.gz SKTHRKPUGYXCFK-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000419051016 287264600 /nfs/dbraw/zinc/26/46/00/287264600.db2.gz ZOADGAGRWIZOIT-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)N1CCC(C)CC1 ZINC000419145081 287266882 /nfs/dbraw/zinc/26/68/82/287266882.db2.gz GNMUMCGVBPKXML-ZNMIVQPWSA-N 1 3 324.469 0.419 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCNCC2)CC1 ZINC000419226697 287275631 /nfs/dbraw/zinc/27/56/31/287275631.db2.gz DMGSVZBDXGVGEB-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419341921 287282070 /nfs/dbraw/zinc/28/20/70/287282070.db2.gz ZWGBAEVXEAQMLY-RJZRQDKASA-N 1 3 322.453 0.171 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1N(C)C ZINC000331608041 415149644 /nfs/dbraw/zinc/14/96/44/415149644.db2.gz DNTNWWHRCVGCOW-APIJFGDWSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1N(C)C ZINC000331608041 415149649 /nfs/dbraw/zinc/14/96/49/415149649.db2.gz DNTNWWHRCVGCOW-APIJFGDWSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000331965411 415206362 /nfs/dbraw/zinc/20/63/62/415206362.db2.gz JBJLBMTZULBKSE-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO [NH3+]CC[C@@H]1CCCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000352504205 415199224 /nfs/dbraw/zinc/19/92/24/415199224.db2.gz OGMTUGRIDIAIHE-HNNXBMFYSA-N 1 3 308.470 0.933 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332085121 415237040 /nfs/dbraw/zinc/23/70/40/415237040.db2.gz FFNLSPGVRZGIRB-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332085121 415237044 /nfs/dbraw/zinc/23/70/44/415237044.db2.gz FFNLSPGVRZGIRB-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000422905858 287302941 /nfs/dbraw/zinc/30/29/41/287302941.db2.gz ZOXQMYPIDNUPCP-OBJOEFQTSA-N 1 3 308.378 0.872 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332295512 415333168 /nfs/dbraw/zinc/33/31/68/415333168.db2.gz MDJOHZPEMJXYPZ-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000332352000 415359208 /nfs/dbraw/zinc/35/92/08/415359208.db2.gz VLMDARGMXWIWHE-GJZGRUSLSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343160460 415481929 /nfs/dbraw/zinc/48/19/29/415481929.db2.gz SVHQBPIDDZZCKM-ZACQAIPSSA-N 1 3 322.497 0.861 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000079269479 415469188 /nfs/dbraw/zinc/46/91/88/415469188.db2.gz PGHOZFNTQYLVRS-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000079269479 415469196 /nfs/dbraw/zinc/46/91/96/415469196.db2.gz PGHOZFNTQYLVRS-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C[C@@H]1C ZINC000343282939 415527695 /nfs/dbraw/zinc/52/76/95/415527695.db2.gz BEEUQSWRNDFNCX-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C[C@@H]1C ZINC000343282939 415527699 /nfs/dbraw/zinc/52/76/99/415527699.db2.gz BEEUQSWRNDFNCX-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353451997 415551429 /nfs/dbraw/zinc/55/14/29/415551429.db2.gz VVPLOZXKMLENLR-OAHLLOKOSA-N 1 3 313.490 0.606 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2C[NH2+]CCCO2)CCSC1 ZINC000333128774 415562157 /nfs/dbraw/zinc/56/21/57/415562157.db2.gz BMJIBWLXHFKWLV-TZMCWYRMSA-N 1 3 316.471 0.101 20 0 DCADHO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3(N)CC3)c2)CC1 ZINC000353500307 415571396 /nfs/dbraw/zinc/57/13/96/415571396.db2.gz IOQFVPXNXBUFOX-UHFFFAOYSA-N 1 3 316.405 0.814 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn2cccnc2n1 ZINC000103212722 415614781 /nfs/dbraw/zinc/61/47/81/415614781.db2.gz KNDDGUPWOWNDRU-UHFFFAOYSA-N 1 3 304.398 0.295 20 0 DCADHO C[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N(C)C1CC1 ZINC000333445639 415652323 /nfs/dbraw/zinc/65/23/23/415652323.db2.gz WTTSVXYNZCCIQZ-DZGCQCFKSA-N 1 3 309.458 0.158 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333501247 415668377 /nfs/dbraw/zinc/66/83/77/415668377.db2.gz HUHBIIVMRLIRCW-ILXRZTDVSA-N 1 3 310.442 0.539 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CNCCO2)C[C@H]1c1ccccc1 ZINC000333620977 415697142 /nfs/dbraw/zinc/69/71/42/415697142.db2.gz ZLAZYBOEQWDXTA-QLFBSQMISA-N 1 3 304.394 0.111 20 0 DCADHO COCCN(C)CCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115818663 415727183 /nfs/dbraw/zinc/72/71/83/415727183.db2.gz LHUWZHYTSOSUSP-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO COCCN(C)CCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115818663 415727186 /nfs/dbraw/zinc/72/71/86/415727186.db2.gz LHUWZHYTSOSUSP-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343761564 415712661 /nfs/dbraw/zinc/71/26/61/415712661.db2.gz AYFHHYAYQZLYFP-JALIKCBVSA-N 1 3 319.449 0.934 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000119369605 415740556 /nfs/dbraw/zinc/74/05/56/415740556.db2.gz NUUYCRCVTKEBFU-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)N1CCN(C)CC1 ZINC000333919234 415765598 /nfs/dbraw/zinc/76/55/98/415765598.db2.gz OXCDAVKWZJOUQE-LSDHHAIUSA-N 1 3 311.474 0.310 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000356185725 415876122 /nfs/dbraw/zinc/87/61/22/415876122.db2.gz ONIBWURPNCNQDZ-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131210948 415926086 /nfs/dbraw/zinc/92/60/86/415926086.db2.gz ISOALVOEMJSQCG-GDBMZVCRSA-N 1 3 308.470 0.885 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131210948 415926090 /nfs/dbraw/zinc/92/60/90/415926090.db2.gz ISOALVOEMJSQCG-GDBMZVCRSA-N 1 3 308.470 0.885 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000344525378 415937957 /nfs/dbraw/zinc/93/79/57/415937957.db2.gz UHLFCTGXMOKFAC-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000344525378 415937959 /nfs/dbraw/zinc/93/79/59/415937959.db2.gz UHLFCTGXMOKFAC-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2)CN1CCN(C)CC1 ZINC000357250326 416052844 /nfs/dbraw/zinc/05/28/44/416052844.db2.gz UCKZZWKIELKRGG-RYRKJORJSA-N 1 3 322.497 0.766 20 0 DCADHO CCN1CC[C@H]([N@H+](C)CCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000338305899 416074839 /nfs/dbraw/zinc/07/48/39/416074839.db2.gz NHNWXGRJAHERAA-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CC[C@H]([N@@H+](C)CCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000338305899 416074843 /nfs/dbraw/zinc/07/48/43/416074843.db2.gz NHNWXGRJAHERAA-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000338305899 416074844 /nfs/dbraw/zinc/07/48/44/416074844.db2.gz NHNWXGRJAHERAA-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000338305899 416074849 /nfs/dbraw/zinc/07/48/49/416074849.db2.gz NHNWXGRJAHERAA-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](CCc2ccnn2C)CC1 ZINC000338549312 416110149 /nfs/dbraw/zinc/11/01/49/416110149.db2.gz QJICZTQFSOEANJ-UHFFFAOYSA-N 1 3 307.442 0.352 20 0 DCADHO CN(C)[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000315937592 416115392 /nfs/dbraw/zinc/11/53/92/416115392.db2.gz RYTVYBWYYXJDRH-AWEZNQCLSA-N 1 3 302.382 0.270 20 0 DCADHO CC(C)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000316885189 416116442 /nfs/dbraw/zinc/11/64/42/416116442.db2.gz XXEYDCKFGAXHCD-HOTGVXAUSA-N 1 3 310.486 0.764 20 0 DCADHO CN(CCC(=O)Nc1cccc(F)c1)CCN1CC[NH2+]CC1 ZINC000316499617 416116824 /nfs/dbraw/zinc/11/68/24/416116824.db2.gz ZDVJBZOYVLFHKZ-UHFFFAOYSA-N 1 3 308.401 0.991 20 0 DCADHO CC(C)N1CCC(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000321342936 416120738 /nfs/dbraw/zinc/12/07/38/416120738.db2.gz JAQMQRYHRWTONL-UHFFFAOYSA-N 1 3 320.441 0.805 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340805360 416194164 /nfs/dbraw/zinc/19/41/64/416194164.db2.gz VCZMFEKRSQJGIX-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340805360 416194167 /nfs/dbraw/zinc/19/41/67/416194167.db2.gz VCZMFEKRSQJGIX-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H]1CN(CCOCC[N@@H+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000341003518 416199997 /nfs/dbraw/zinc/19/99/97/416199997.db2.gz GHVNDJFSRIJGKZ-FZKCQIBNSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1CN(CCOCC[N@H+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000341003518 416200000 /nfs/dbraw/zinc/20/00/00/416200000.db2.gz GHVNDJFSRIJGKZ-FZKCQIBNSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1C[N@H+](CCOCCN2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000341003518 416200003 /nfs/dbraw/zinc/20/00/03/416200003.db2.gz GHVNDJFSRIJGKZ-FZKCQIBNSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1C[N@@H+](CCOCCN2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000341003518 416200006 /nfs/dbraw/zinc/20/00/06/416200006.db2.gz GHVNDJFSRIJGKZ-FZKCQIBNSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1nccn1C ZINC000341704197 416225680 /nfs/dbraw/zinc/22/56/80/416225680.db2.gz DSPKXDBGVYTPKG-INIZCTEOSA-N 1 3 323.485 0.851 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341995924 416264549 /nfs/dbraw/zinc/26/45/49/416264549.db2.gz DAEKANNSTRLMPX-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341995924 416264553 /nfs/dbraw/zinc/26/45/53/416264553.db2.gz DAEKANNSTRLMPX-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000359258458 416318033 /nfs/dbraw/zinc/31/80/33/416318033.db2.gz DRTSZVBHRQIBBD-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000359258458 416318035 /nfs/dbraw/zinc/31/80/35/416318035.db2.gz DRTSZVBHRQIBBD-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)C[C@H]21 ZINC000342121687 416283188 /nfs/dbraw/zinc/28/31/88/416283188.db2.gz IUGYXQLJSCCPQL-KBRIMQKVSA-N 1 3 320.481 0.789 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358850801 416283392 /nfs/dbraw/zinc/28/33/92/416283392.db2.gz DNPAAKXYADECPO-INIZCTEOSA-N 1 3 322.428 0.622 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263275482 416337738 /nfs/dbraw/zinc/33/77/38/416337738.db2.gz YGFQLGWEOJASTJ-INIZCTEOSA-N 1 3 320.437 0.829 20 0 DCADHO Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)ccc1CN(C)C ZINC000415540321 416346933 /nfs/dbraw/zinc/34/69/33/416346933.db2.gz OCFMUKVOAVPDPD-OAHLLOKOSA-N 1 3 318.421 0.849 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415752188 416353449 /nfs/dbraw/zinc/35/34/49/416353449.db2.gz DBXNPZOZWIUWEX-LBPRGKRZSA-N 1 3 308.430 0.954 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000237891344 416328957 /nfs/dbraw/zinc/32/89/57/416328957.db2.gz OUOBTXJZMVQBLZ-LSDHHAIUSA-N 1 3 322.453 0.271 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000416814555 416378086 /nfs/dbraw/zinc/37/80/86/416378086.db2.gz VNYWBEGYWFMDCK-CABCVRRESA-N 1 3 306.410 0.658 20 0 DCADHO C[C@H]1[C@H](NC(=O)N(CC[NH3+])CCO)CCN1Cc1ccccc1 ZINC000418197520 416385273 /nfs/dbraw/zinc/38/52/73/416385273.db2.gz SZHGMCWLUVOBGL-GOEBONIOSA-N 1 3 320.437 0.612 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NCC[C@H]2CCC[NH2+]2)CCCO1 ZINC000418119321 416385558 /nfs/dbraw/zinc/38/55/58/416385558.db2.gz UUAXOGYSOQAKSW-LSDHHAIUSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCCO1 ZINC000418119177 416385654 /nfs/dbraw/zinc/38/56/54/416385654.db2.gz ULZBINJRTSCBDV-QLFBSQMISA-N 1 3 312.458 0.914 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@@H](CC[NH3+])C(F)F)CCCO1 ZINC000418123491 416385766 /nfs/dbraw/zinc/38/57/66/416385766.db2.gz ZAPQIALPJXQATE-NEPJUHHUSA-N 1 3 322.400 0.769 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000418836045 416391878 /nfs/dbraw/zinc/39/18/78/416391878.db2.gz OVNXZMBOLVGANB-AWEZNQCLSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H]1CN ZINC000418832164 416392038 /nfs/dbraw/zinc/39/20/38/416392038.db2.gz LPMUQRFYNSQKOE-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419141407 416397278 /nfs/dbraw/zinc/39/72/78/416397278.db2.gz VCFZKUHSRKOMOH-BFHYXJOUSA-N 1 3 312.458 0.609 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000419416004 416401467 /nfs/dbraw/zinc/40/14/67/416401467.db2.gz VPQFFUZEYZEVAB-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419785751 416411673 /nfs/dbraw/zinc/41/16/73/416411673.db2.gz ZKQPXNRKJRMTKJ-IHRRRGAJSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@H+](C)C1CC1 ZINC000458280517 416447607 /nfs/dbraw/zinc/44/76/07/416447607.db2.gz CYWBYLLBEBELFH-KBPBESRZSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@@H+](C)C1CC1 ZINC000458280517 416447612 /nfs/dbraw/zinc/44/76/12/416447612.db2.gz CYWBYLLBEBELFH-KBPBESRZSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422975891 416455852 /nfs/dbraw/zinc/45/58/52/416455852.db2.gz UGYAWGOCPRDABM-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCNC[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423526952 416521102 /nfs/dbraw/zinc/52/11/02/416521102.db2.gz VIYJRKGFGOTFRE-UWWQBHOKSA-N 1 3 316.449 0.736 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423621020 416529221 /nfs/dbraw/zinc/52/92/21/416529221.db2.gz KOWQLSXNVXURPT-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423621020 416529225 /nfs/dbraw/zinc/52/92/25/416529225.db2.gz KOWQLSXNVXURPT-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423675838 416538756 /nfs/dbraw/zinc/53/87/56/416538756.db2.gz BQMKLVAXASVUET-KBPBESRZSA-N 1 3 324.469 0.657 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000423729766 416551309 /nfs/dbraw/zinc/55/13/09/416551309.db2.gz VQVSKXFATVDFKK-KBPBESRZSA-N 1 3 312.458 0.371 20 0 DCADHO CO[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000361762624 416492165 /nfs/dbraw/zinc/49/21/65/416492165.db2.gz DEEHOSMAFADIPZ-MRXNPFEDSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CCC[C@H](C)C1 ZINC000423333563 416494438 /nfs/dbraw/zinc/49/44/38/416494438.db2.gz QAZZOPNKPJQBEE-UONOGXRCSA-N 1 3 322.457 0.867 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423368079 416498317 /nfs/dbraw/zinc/49/83/17/416498317.db2.gz MZZVCYNVBZSHAD-LBPRGKRZSA-N 1 3 324.450 0.198 20 0 DCADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423378656 416501543 /nfs/dbraw/zinc/50/15/43/416501543.db2.gz MLVQWXBWKANKSB-STQMWFEESA-N 1 3 308.430 0.620 20 0 DCADHO CN1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000584221767 416507796 /nfs/dbraw/zinc/50/77/96/416507796.db2.gz QMDVXBICGRWQSX-HOCLYGCPSA-N 1 3 317.437 0.158 20 0 DCADHO C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000584230627 416509989 /nfs/dbraw/zinc/50/99/89/416509989.db2.gz OZPFXIKGWREJPF-CJNGLKHVSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423505467 416518936 /nfs/dbraw/zinc/51/89/36/416518936.db2.gz LOLBOOFMMJBMLD-ZIAGYGMSSA-N 1 3 312.458 0.371 20 0 DCADHO C[C@H](CC(=O)N1CCO[C@H]2CCN(C)C[C@@H]21)C1CC[NH2+]CC1 ZINC000423930974 416593315 /nfs/dbraw/zinc/59/33/15/416593315.db2.gz LVSLZISPAKIWRZ-KBMXLJTQSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H]1C[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)CC[N@@H+]1C ZINC000438704492 416602576 /nfs/dbraw/zinc/60/25/76/416602576.db2.gz CIWLVFSELJLGCL-QWHCGFSZSA-N 1 3 308.430 1.049 20 0 DCADHO C[C@H]1C[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)CC[N@H+]1C ZINC000438704492 416602578 /nfs/dbraw/zinc/60/25/78/416602578.db2.gz CIWLVFSELJLGCL-QWHCGFSZSA-N 1 3 308.430 1.049 20 0 DCADHO CCc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc(=O)[nH]1 ZINC000539798368 416583500 /nfs/dbraw/zinc/58/35/00/416583500.db2.gz GUNFYQQMNOPORX-UHFFFAOYSA-N 1 3 308.426 0.915 20 0 DCADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1CCCCCN1 ZINC000364478588 416590032 /nfs/dbraw/zinc/59/00/32/416590032.db2.gz GTKMVHNWXRQHBB-CQSZACIVSA-N 1 3 303.410 0.962 20 0 DCADHO CN(C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[C@@H]1CCN(C2CC2)C1 ZINC000424158518 416620545 /nfs/dbraw/zinc/62/05/45/416620545.db2.gz RBGKLAFSDMENKK-UONOGXRCSA-N 1 3 318.425 0.511 20 0 DCADHO COCCN(C)CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424162447 416620754 /nfs/dbraw/zinc/62/07/54/416620754.db2.gz WVPCXVBZQFOGTI-GFCCVEGCSA-N 1 3 309.414 0.185 20 0 DCADHO COCCNCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424217956 416627149 /nfs/dbraw/zinc/62/71/49/416627149.db2.gz PLUSLRHXQDPYFK-DLBZAZTESA-N 1 3 317.433 0.955 20 0 DCADHO COCCNCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424217956 416627155 /nfs/dbraw/zinc/62/71/55/416627155.db2.gz PLUSLRHXQDPYFK-DLBZAZTESA-N 1 3 317.433 0.955 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C[C@H]2N)cn1 ZINC000424242922 416631401 /nfs/dbraw/zinc/63/14/01/416631401.db2.gz RIARSGYYCPGMAW-GZFHQYITSA-N 1 3 317.437 0.594 20 0 DCADHO CC(C)CNC(=O)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424285133 416636757 /nfs/dbraw/zinc/63/67/57/416636757.db2.gz FFCOLOYJWSVVMI-ZDUSSCGKSA-N 1 3 310.442 0.932 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000424453493 416646008 /nfs/dbraw/zinc/64/60/08/416646008.db2.gz KFCRDUQBXMPBHQ-LBPRGKRZSA-N 1 3 318.421 0.991 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000440914518 416654561 /nfs/dbraw/zinc/65/45/61/416654561.db2.gz SBISVSJPUHOIFY-LSDHHAIUSA-N 1 3 308.470 0.755 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000440914518 416654566 /nfs/dbraw/zinc/65/45/66/416654566.db2.gz SBISVSJPUHOIFY-LSDHHAIUSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441022730 416657890 /nfs/dbraw/zinc/65/78/90/416657890.db2.gz RQLMIPRGRKZPCG-UHFFFAOYSA-N 1 3 313.490 0.652 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441022730 416657892 /nfs/dbraw/zinc/65/78/92/416657892.db2.gz RQLMIPRGRKZPCG-UHFFFAOYSA-N 1 3 313.490 0.652 20 0 DCADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000514602265 416663623 /nfs/dbraw/zinc/66/36/23/416663623.db2.gz KBBPNGQJXMUOIL-ZACQAIPSSA-N 1 3 314.433 0.971 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000641247786 416750943 /nfs/dbraw/zinc/75/09/43/416750943.db2.gz BBIHQWOVMAMBNK-UKRRQHHQSA-N 1 3 303.410 0.911 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H](C[NH3+])C2)CCSC1 ZINC000557193645 416727245 /nfs/dbraw/zinc/72/72/45/416727245.db2.gz MHHYZHVQZBAJLB-OCCSQVGLSA-N 1 3 300.472 0.804 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@H](CC[NH3+])C1 ZINC000443063906 416728664 /nfs/dbraw/zinc/72/86/64/416728664.db2.gz XJDOXTOVXYSINT-MCIONIFRSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@H](CC[NH3+])C1 ZINC000443063908 416728873 /nfs/dbraw/zinc/72/88/73/416728873.db2.gz XJDOXTOVXYSINT-MGPQQGTHSA-N 1 3 310.442 0.160 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443063124 416729136 /nfs/dbraw/zinc/72/91/36/416729136.db2.gz VZKACUSNTJBMQB-UKRRQHHQSA-N 1 3 310.442 0.126 20 0 DCADHO COCCCS(=O)(=O)NCCN1CCC[C@@H](CC[NH3+])C1 ZINC000443077104 416731257 /nfs/dbraw/zinc/73/12/57/416731257.db2.gz UBNGXLCUCNDOIR-ZDUSSCGKSA-N 1 3 307.460 0.003 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCCN1CCCC1 ZINC000631905091 416788469 /nfs/dbraw/zinc/78/84/69/416788469.db2.gz FSPBOIOCHQFUDB-KBPBESRZSA-N 1 3 303.472 0.909 20 0 DCADHO C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631923713 416805505 /nfs/dbraw/zinc/80/55/05/416805505.db2.gz XBBYOMQZIQWWEB-GXTWGEPZSA-N 1 3 318.487 0.187 20 0 DCADHO CN1CCC[C@H](CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631927805 416807473 /nfs/dbraw/zinc/80/74/73/416807473.db2.gz JCTDYPOQESXSGK-CQSZACIVSA-N 1 3 303.472 0.734 20 0 DCADHO CN(CCN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1)Cc1ccccc1 ZINC000444178811 416814423 /nfs/dbraw/zinc/81/44/23/416814423.db2.gz XYUAZZLUMCBIFM-QGZVFWFLSA-N 1 3 316.449 0.625 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000631937554 416816703 /nfs/dbraw/zinc/81/67/03/416816703.db2.gz JMGRWQDOQKGENY-AWEZNQCLSA-N 1 3 303.472 0.589 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000370302406 416888391 /nfs/dbraw/zinc/88/83/91/416888391.db2.gz WKMSWQPEJGGUOL-UGUYLWEFSA-N 1 3 324.469 0.831 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000370302406 416888411 /nfs/dbraw/zinc/88/84/11/416888411.db2.gz WKMSWQPEJGGUOL-UGUYLWEFSA-N 1 3 324.469 0.831 20 0 DCADHO CC(CC(=O)N(C)CCN(C)C)CC(=O)N(C)CC[NH+](C)C ZINC000444287860 416829876 /nfs/dbraw/zinc/82/98/76/416829876.db2.gz DQSZLYBQUBXJPJ-UHFFFAOYSA-N 1 3 314.474 0.443 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631964749 416835793 /nfs/dbraw/zinc/83/57/93/416835793.db2.gz LTDZPIJWRUAXMX-AWEZNQCLSA-N 1 3 303.472 0.686 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000560314652 416836195 /nfs/dbraw/zinc/83/61/95/416836195.db2.gz CKMOEGUINGYNLX-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631992564 416852205 /nfs/dbraw/zinc/85/22/05/416852205.db2.gz DGKKJGIDGXHYBT-GJZGRUSLSA-N 1 3 315.483 0.876 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000371633844 416916604 /nfs/dbraw/zinc/91/66/04/416916604.db2.gz SXWYFCQFRJQQJX-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCN(CC(C)(C)NC[C@@H](O)C[N@H+](C)CC)CC1 ZINC000565171016 416933228 /nfs/dbraw/zinc/93/32/28/416933228.db2.gz GXXCGJPJVZSGFP-OAHLLOKOSA-N 1 3 300.491 0.305 20 0 DCADHO CCN1CCN(CC(C)(C)NC[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000565171016 416933237 /nfs/dbraw/zinc/93/32/37/416933237.db2.gz GXXCGJPJVZSGFP-OAHLLOKOSA-N 1 3 300.491 0.305 20 0 DCADHO CCN(C)C[C@H](O)C[NH2+]C(C)(C)CN1CCN(CC)CC1 ZINC000565171016 416933241 /nfs/dbraw/zinc/93/32/41/416933241.db2.gz GXXCGJPJVZSGFP-OAHLLOKOSA-N 1 3 300.491 0.305 20 0 DCADHO C[C@H](CCNc1nc(N)nc(N)n1)[N@H+](C)Cc1ccccc1 ZINC000624013796 416937983 /nfs/dbraw/zinc/93/79/83/416937983.db2.gz JPIOLXJTEBIOJC-LLVKDONJSA-N 1 3 301.398 0.441 20 0 DCADHO C[C@H](CCNc1nc(N)nc(N)n1)[N@@H+](C)Cc1ccccc1 ZINC000624013796 416937984 /nfs/dbraw/zinc/93/79/84/416937984.db2.gz JPIOLXJTEBIOJC-LLVKDONJSA-N 1 3 301.398 0.441 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(c2ccncc2)CC1 ZINC000642006609 417022801 /nfs/dbraw/zinc/02/28/01/417022801.db2.gz UUMWDMHYVJQSSK-OAHLLOKOSA-N 1 3 319.409 0.292 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])c1ccccc1 ZINC000642098622 417025567 /nfs/dbraw/zinc/02/55/67/417025567.db2.gz NRJHMHHIXWOGGL-UKRRQHHQSA-N 1 3 320.437 0.649 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])c1ccccc1 ZINC000642098621 417026225 /nfs/dbraw/zinc/02/62/25/417026225.db2.gz NRJHMHHIXWOGGL-HIFRSBDPSA-N 1 3 320.437 0.649 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000632336029 417028383 /nfs/dbraw/zinc/02/83/83/417028383.db2.gz AAAHRIPIHBETIX-DZGCQCFKSA-N 1 3 305.426 0.611 20 0 DCADHO CN1CCC(C[NH2+]Cc2ccncc2N)(N2CCOCC2)CC1 ZINC000641762453 416995359 /nfs/dbraw/zinc/99/53/59/416995359.db2.gz KJRGHUFRZXBQTC-UHFFFAOYSA-N 1 3 319.453 0.550 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000447433670 416999768 /nfs/dbraw/zinc/99/97/68/416999768.db2.gz BYHCWSMKGPCXTR-CQSZACIVSA-N 1 3 301.431 0.356 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@@H]1C[NH3+] ZINC000642785698 417096317 /nfs/dbraw/zinc/09/63/17/417096317.db2.gz DNGNBTMVILMYTD-VHDGCEQUSA-N 1 3 322.453 0.030 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376765081 417038398 /nfs/dbraw/zinc/03/83/98/417038398.db2.gz GPCXNKVJFMPZFL-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO NC[C@H]1CCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000430594750 417046283 /nfs/dbraw/zinc/04/62/83/417046283.db2.gz GXSXGIIISDECGF-CQSZACIVSA-N 1 3 304.394 0.826 20 0 DCADHO NC[C@H]1CCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000430594750 417046288 /nfs/dbraw/zinc/04/62/88/417046288.db2.gz GXSXGIIISDECGF-CQSZACIVSA-N 1 3 304.394 0.826 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000642439484 417051514 /nfs/dbraw/zinc/05/15/14/417051514.db2.gz ITXGBYGTBUWQTD-OAHLLOKOSA-N 1 3 322.453 0.403 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000642439504 417052582 /nfs/dbraw/zinc/05/25/82/417052582.db2.gz JWLOFCZGJCWKDS-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000637257800 417053008 /nfs/dbraw/zinc/05/30/08/417053008.db2.gz AKNFZSYIQBBYDJ-SOUVJXGZSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000637257800 417053012 /nfs/dbraw/zinc/05/30/12/417053012.db2.gz AKNFZSYIQBBYDJ-SOUVJXGZSA-N 1 3 310.442 0.369 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642439394 417053344 /nfs/dbraw/zinc/05/33/44/417053344.db2.gz DWYIEHAUAHBNPA-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H](CC)CN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000642439925 417054933 /nfs/dbraw/zinc/05/49/33/417054933.db2.gz RYZYSUPDLQHGLL-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000642440159 417056728 /nfs/dbraw/zinc/05/67/28/417056728.db2.gz XLDNRRKKTMRBGU-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000616488251 417062535 /nfs/dbraw/zinc/06/25/35/417062535.db2.gz AGQHCJYFIBPTHD-YOEHRIQHSA-N 1 3 305.422 0.690 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000642698681 417072947 /nfs/dbraw/zinc/07/29/47/417072947.db2.gz DHHHBUNGPBXVND-MJBXVCDLSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000642724352 417080750 /nfs/dbraw/zinc/08/07/50/417080750.db2.gz GHANLLSXGPZLHW-TZMCWYRMSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642733261 417083974 /nfs/dbraw/zinc/08/39/74/417083974.db2.gz AIXUNFSJQKKGSL-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](Cn1cccn1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524904334 417120074 /nfs/dbraw/zinc/12/00/74/417120074.db2.gz XTLFHIWHSTTZDN-AWEZNQCLSA-N 1 3 310.446 0.406 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000642910479 417120662 /nfs/dbraw/zinc/12/06/62/417120662.db2.gz GYAJJDZUXZCNPG-LBPRGKRZSA-N 1 3 324.400 0.179 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000449113376 417120806 /nfs/dbraw/zinc/12/08/06/417120806.db2.gz ASNJIQPCFBNBJF-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO O=C(NC1CNC1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642924102 417125560 /nfs/dbraw/zinc/12/55/60/417125560.db2.gz ICOLVEVCKLPCKE-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000430714842 287349691 /nfs/dbraw/zinc/34/96/91/287349691.db2.gz PWRSDHQIWYKZJC-MRXNPFEDSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(NCC[C@H]1CC[NH2+]C1)N1CCN(c2ccncc2)CC1 ZINC000637678101 417160405 /nfs/dbraw/zinc/16/04/05/417160405.db2.gz KUTSDHDMCSSEDI-CQSZACIVSA-N 1 3 303.410 0.913 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CCOCC[NH3+] ZINC000626947584 417183268 /nfs/dbraw/zinc/18/32/68/417183268.db2.gz VFDMQWCSCMPFDE-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO C[NH+](C)CC1(C(=O)Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000637825056 417200692 /nfs/dbraw/zinc/20/06/92/417200692.db2.gz RRIOCWYIZZVHAC-UHFFFAOYSA-N 1 3 303.410 0.772 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637863234 417208656 /nfs/dbraw/zinc/20/86/56/417208656.db2.gz WESYFGQAIUXKKB-JKSUJKDBSA-N 1 3 304.438 0.656 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000527066375 417209019 /nfs/dbraw/zinc/20/90/19/417209019.db2.gz XZXKZTFSZRYPMB-AWEZNQCLSA-N 1 3 300.447 0.594 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000527066375 417209023 /nfs/dbraw/zinc/20/90/23/417209023.db2.gz XZXKZTFSZRYPMB-AWEZNQCLSA-N 1 3 300.447 0.594 20 0 DCADHO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CNCC[C@@H]2C)cc1 ZINC000643454583 417211741 /nfs/dbraw/zinc/21/17/41/417211741.db2.gz LAZDIQQUHMDEKY-SWLSCSKDSA-N 1 3 311.451 0.823 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)CCC[NH+](C)C ZINC000632560928 417165553 /nfs/dbraw/zinc/16/55/53/417165553.db2.gz DERAVPSQPGLMBR-AWEZNQCLSA-N 1 3 305.488 0.978 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000569571303 417268047 /nfs/dbraw/zinc/26/80/47/417268047.db2.gz FRJLYSMIOAMVEA-MRXNPFEDSA-N 1 3 305.422 0.958 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000569571303 417268053 /nfs/dbraw/zinc/26/80/53/417268053.db2.gz FRJLYSMIOAMVEA-MRXNPFEDSA-N 1 3 305.422 0.958 20 0 DCADHO CCN1CCCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000627230169 417289631 /nfs/dbraw/zinc/28/96/31/417289631.db2.gz GDALKQQQOVGYRN-CQSZACIVSA-N 1 3 321.429 0.050 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627235237 417294740 /nfs/dbraw/zinc/29/47/40/417294740.db2.gz QOZVQDGHRODDJU-UONOGXRCSA-N 1 3 321.429 0.048 20 0 DCADHO CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000643509368 417231100 /nfs/dbraw/zinc/23/11/00/417231100.db2.gz HMHJGMDERQECPL-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CC[C@@H]1C(F)(F)F ZINC000627102546 417232527 /nfs/dbraw/zinc/23/25/27/417232527.db2.gz ODWOEXFGFRAYSA-MXWKQRLJSA-N 1 3 324.347 0.144 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC[C@H]1[NH3+] ZINC000643542906 417241961 /nfs/dbraw/zinc/24/19/61/417241961.db2.gz XWCQMOWLUNRLQY-UONOGXRCSA-N 1 3 312.458 0.371 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643558701 417244960 /nfs/dbraw/zinc/24/49/60/417244960.db2.gz SPLHTFCDVVJZTO-PBHICJAKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)NC2CCN(C)CC2)CCCO1 ZINC000433285798 417246549 /nfs/dbraw/zinc/24/65/49/417246549.db2.gz TWSWGLUTMYSPAS-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC2CCN(C)CC2)CCCO1 ZINC000433285798 417246558 /nfs/dbraw/zinc/24/65/58/417246558.db2.gz TWSWGLUTMYSPAS-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569458149 417252811 /nfs/dbraw/zinc/25/28/11/417252811.db2.gz OPVJUZZLQBHHAQ-YJNKXOJESA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)C2)CC1 ZINC000569455204 417252970 /nfs/dbraw/zinc/25/29/70/417252970.db2.gz BTBBZLYXMCUDAC-ARFHVFGLSA-N 1 3 308.470 0.611 20 0 DCADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O ZINC000527568315 417264347 /nfs/dbraw/zinc/26/43/47/417264347.db2.gz IQPJBGCVHHVDKC-DXUDUQDWSA-N 1 3 307.442 0.978 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433387707 417264362 /nfs/dbraw/zinc/26/43/62/417264362.db2.gz RUAYXNPNKWMXJG-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000415264495 417349561 /nfs/dbraw/zinc/34/95/61/417349561.db2.gz OPIKSLQMFRLHQR-DZGCQCFKSA-N 1 3 316.405 0.507 20 0 DCADHO CCOC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414673922 417297393 /nfs/dbraw/zinc/29/73/93/417297393.db2.gz RKZKXJIKERGJTG-KGLIPLIRSA-N 1 3 311.426 0.459 20 0 DCADHO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414673922 417297396 /nfs/dbraw/zinc/29/73/96/417297396.db2.gz RKZKXJIKERGJTG-KGLIPLIRSA-N 1 3 311.426 0.459 20 0 DCADHO Cc1c(C(=O)N2C[C@@H](C)NC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000570513010 417362530 /nfs/dbraw/zinc/36/25/30/417362530.db2.gz WEAWLXJIWDCRDI-GHMZBOCLSA-N 1 3 306.414 0.333 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN(CC[NH3+])CCc2ccccc2)C1 ZINC000414785786 417304464 /nfs/dbraw/zinc/30/44/64/417304464.db2.gz LTXZCVGOBSXCIB-KRWDZBQOSA-N 1 3 318.465 0.687 20 0 DCADHO C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCCCCC1 ZINC000569867045 417305811 /nfs/dbraw/zinc/30/58/11/417305811.db2.gz CAYDYCYVQGOJSW-RDBSUJKOSA-N 1 3 308.426 0.021 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000621831607 417311363 /nfs/dbraw/zinc/31/13/63/417311363.db2.gz NHYNISLBFQKZSM-LBPRGKRZSA-N 1 3 322.409 0.419 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638101342 417325636 /nfs/dbraw/zinc/32/56/36/417325636.db2.gz PDOXSPANHBQROT-GOEBONIOSA-N 1 3 321.421 0.402 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000633067182 417341371 /nfs/dbraw/zinc/34/13/71/417341371.db2.gz CMCTVNHDAQXJKJ-IGQOVBAYSA-N 1 3 312.458 0.145 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000415221314 417343353 /nfs/dbraw/zinc/34/33/53/417343353.db2.gz VLQXDTJURVQEHO-OKILXGFUSA-N 1 3 322.457 1.331 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638243639 417389781 /nfs/dbraw/zinc/38/97/81/417389781.db2.gz CDCSMNVZFAPRJJ-AWEZNQCLSA-N 1 3 313.442 0.230 20 0 DCADHO COC[C@@]1(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638239157 417389955 /nfs/dbraw/zinc/38/99/55/417389955.db2.gz FXQUSRXSOQXCRQ-NVXWUHKLSA-N 1 3 309.454 0.993 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638245923 417390768 /nfs/dbraw/zinc/39/07/68/417390768.db2.gz YVRYIYZYZOTBJS-CVEARBPZSA-N 1 3 316.449 0.704 20 0 DCADHO CN(C)CCn1nccc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633212161 417391492 /nfs/dbraw/zinc/39/14/92/417391492.db2.gz JVLSQWCBAXNSLT-UHFFFAOYSA-N 1 3 319.413 0.455 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364296 417432556 /nfs/dbraw/zinc/43/25/56/417432556.db2.gz FWCBCXZLWUGYLU-OWCLPIDISA-N 1 3 304.438 0.832 20 0 DCADHO C[C@H]1CC2(CN1CCn1nc3ccccn3c1=O)CC[NH2+]CC2 ZINC000643895310 417413853 /nfs/dbraw/zinc/41/38/53/417413853.db2.gz VJKQOGMGNBCPAO-AWEZNQCLSA-N 1 3 315.421 0.960 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000638304870 417414577 /nfs/dbraw/zinc/41/45/77/417414577.db2.gz VNYJKBDSZFNDNA-KRWDZBQOSA-N 1 3 318.465 0.998 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000638304870 417414580 /nfs/dbraw/zinc/41/45/80/417414580.db2.gz VNYJKBDSZFNDNA-KRWDZBQOSA-N 1 3 318.465 0.998 20 0 DCADHO O=C(CN1CCNCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638308084 417415337 /nfs/dbraw/zinc/41/53/37/417415337.db2.gz GGWIQZWFUSJLCK-HOCLYGCPSA-N 1 3 306.454 0.367 20 0 DCADHO O=C(CN1CCNCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638308084 417415344 /nfs/dbraw/zinc/41/53/44/417415344.db2.gz GGWIQZWFUSJLCK-HOCLYGCPSA-N 1 3 306.454 0.367 20 0 DCADHO CC(C)NC(=O)NCCN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000571078359 417420439 /nfs/dbraw/zinc/42/04/39/417420439.db2.gz NIKIKENVEZBWHY-UHFFFAOYSA-N 1 3 313.490 0.652 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638172639 417364447 /nfs/dbraw/zinc/36/44/47/417364447.db2.gz XCCFILXJLQBJNS-SJLPKXTDSA-N 1 3 316.449 0.658 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638176621 417366286 /nfs/dbraw/zinc/36/62/86/417366286.db2.gz DWPNLZHPDURDOF-UONOGXRCSA-N 1 3 301.431 0.086 20 0 DCADHO CN(C)CCn1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cn1 ZINC000638194693 417369721 /nfs/dbraw/zinc/36/97/21/417369721.db2.gz GSKHSUSZLRQOCK-UHFFFAOYSA-N 1 3 313.405 0.978 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000638204867 417372442 /nfs/dbraw/zinc/37/24/42/417372442.db2.gz RMFKNMZPCZUVCR-UONOGXRCSA-N 1 3 301.431 0.086 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000638393813 417440069 /nfs/dbraw/zinc/44/00/69/417440069.db2.gz MHOZXQDSCVZKRB-KRWDZBQOSA-N 1 3 318.465 0.952 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638512629 417480328 /nfs/dbraw/zinc/48/03/28/417480328.db2.gz JFDWXGZAOHICKT-CQSZACIVSA-N 1 3 313.442 0.372 20 0 DCADHO CCN(CCO)CC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634719903 417533212 /nfs/dbraw/zinc/53/32/12/417533212.db2.gz BENCFCHCNBBETN-GOSISDBHSA-N 1 3 321.465 0.527 20 0 DCADHO CCN(CCO)CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719903 417533217 /nfs/dbraw/zinc/53/32/17/417533217.db2.gz BENCFCHCNBBETN-GOSISDBHSA-N 1 3 321.465 0.527 20 0 DCADHO CCN(CCO)CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719903 417533222 /nfs/dbraw/zinc/53/32/22/417533222.db2.gz BENCFCHCNBBETN-GOSISDBHSA-N 1 3 321.465 0.527 20 0 DCADHO CO[C@H](C[NH2+]CC1(O)CCN(C(C)C)CC1)[C@H]1CCOC1 ZINC000638738445 417547191 /nfs/dbraw/zinc/54/71/91/417547191.db2.gz KVARWKOREPJOBB-LSDHHAIUSA-N 1 3 300.443 0.863 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000575045079 417504629 /nfs/dbraw/zinc/50/46/29/417504629.db2.gz OULHOBXZYYLKHI-CJNGLKHVSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)CNC[C@@H]3CCCO3)cn2)CC1 ZINC000638978148 417593996 /nfs/dbraw/zinc/59/39/96/417593996.db2.gz WFMJHRRYWMBIRA-HNNXBMFYSA-N 1 3 321.425 0.857 20 0 DCADHO C[C@H]1CCN[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638985719 417600618 /nfs/dbraw/zinc/60/06/18/417600618.db2.gz NBZTUSRKLAEZRR-GXTWGEPZSA-N 1 3 303.410 0.818 20 0 DCADHO COCCN(C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455469315 417606406 /nfs/dbraw/zinc/60/64/06/417606406.db2.gz FWTCFYCMXTXSBH-GOOCMWNKSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN(C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455469315 417606411 /nfs/dbraw/zinc/60/64/11/417606411.db2.gz FWTCFYCMXTXSBH-GOOCMWNKSA-N 1 3 312.458 0.879 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000531290945 417613507 /nfs/dbraw/zinc/61/35/07/417613507.db2.gz IRKWMLWZSDTCLM-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000531290945 417613511 /nfs/dbraw/zinc/61/35/11/417613511.db2.gz IRKWMLWZSDTCLM-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CC(=O)N[C@@H]1CCN(CCCCC[N@@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000575999883 417569504 /nfs/dbraw/zinc/56/95/04/417569504.db2.gz NYTGECVTORPDBF-IAGOWNOFSA-N 1 3 324.469 0.578 20 0 DCADHO CC(=O)N[C@@H]1CCN(CCCCC[N@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000575999883 417569508 /nfs/dbraw/zinc/56/95/08/417569508.db2.gz NYTGECVTORPDBF-IAGOWNOFSA-N 1 3 324.469 0.578 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)NCCNc2cc[nH+]cc2)C1(C)C ZINC000576035122 417572942 /nfs/dbraw/zinc/57/29/42/417572942.db2.gz DFKGEEQZUPMPKZ-XJKSGUPXSA-N 1 3 306.410 0.564 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561595 417619374 /nfs/dbraw/zinc/61/93/74/417619374.db2.gz BWCJRBMHNVIZFW-NVXWUHKLSA-N 1 3 313.486 0.778 20 0 DCADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CC1 ZINC000644562078 417618647 /nfs/dbraw/zinc/61/86/47/417618647.db2.gz RGLMBLFTYQPJKU-ZBFHGGJFSA-N 1 3 307.442 0.002 20 0 DCADHO Cc1cc(NC(=O)CCNCCC[N@@H+]2CCCO[C@@H](C)C2)no1 ZINC000644632293 417634058 /nfs/dbraw/zinc/63/40/58/417634058.db2.gz SWHAQVAZLAYZKP-AWEZNQCLSA-N 1 3 324.425 1.402 20 0 DCADHO Cc1cc(NC(=O)CCNCCC[N@H+]2CCCO[C@@H](C)C2)no1 ZINC000644632293 417634062 /nfs/dbraw/zinc/63/40/62/417634062.db2.gz SWHAQVAZLAYZKP-AWEZNQCLSA-N 1 3 324.425 1.402 20 0 DCADHO C[C@H]1C[N@H+](CCc2cnccn2)CC[C@H]1N1CCN(C)CC1 ZINC000639553333 417693542 /nfs/dbraw/zinc/69/35/42/417693542.db2.gz MJOUJWHFQVYTGQ-DOTOQJQBSA-N 1 3 303.454 0.977 20 0 DCADHO C[C@H]1C[N@@H+](CCc2cnccn2)CC[C@H]1N1CCN(C)CC1 ZINC000639553333 417693544 /nfs/dbraw/zinc/69/35/44/417693544.db2.gz MJOUJWHFQVYTGQ-DOTOQJQBSA-N 1 3 303.454 0.977 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000635551829 417699793 /nfs/dbraw/zinc/69/97/93/417699793.db2.gz OZTPJMNJUGLDFX-NWANDNLSSA-N 1 3 317.437 0.798 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000635551829 417699798 /nfs/dbraw/zinc/69/97/98/417699798.db2.gz OZTPJMNJUGLDFX-NWANDNLSSA-N 1 3 317.437 0.798 20 0 DCADHO Cc1cc(NC(=O)CCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)no1 ZINC000577280819 417675859 /nfs/dbraw/zinc/67/58/59/417675859.db2.gz UHEXFOUIQZUTHN-CJNGLKHVSA-N 1 3 322.409 1.140 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580569059 417715947 /nfs/dbraw/zinc/71/59/47/417715947.db2.gz YPDIDQZYOYYFEQ-SWLSCSKDSA-N 1 3 305.426 0.657 20 0 DCADHO CC[N@H+](CCNC(=O)N1CCOC2(CCN(C)CC2)C1)C1CC1 ZINC000645247947 417718946 /nfs/dbraw/zinc/71/89/46/417718946.db2.gz TUXVHTFDQSMVOY-UHFFFAOYSA-N 1 3 324.469 0.977 20 0 DCADHO CC[N@@H+](CCNC(=O)N1CCOC2(CCN(C)CC2)C1)C1CC1 ZINC000645247947 417718948 /nfs/dbraw/zinc/71/89/48/417718948.db2.gz TUXVHTFDQSMVOY-UHFFFAOYSA-N 1 3 324.469 0.977 20 0 DCADHO N[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000582180178 417733186 /nfs/dbraw/zinc/73/31/86/417733186.db2.gz ZTXCCGZVJREQTA-AWEZNQCLSA-N 1 3 314.393 0.632 20 0 DCADHO O=C(C[C@@H]1NCc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662517191 417790927 /nfs/dbraw/zinc/79/09/27/417790927.db2.gz KJLUBFMKHDCMHB-WBVHZDCISA-N 1 3 314.433 0.727 20 0 DCADHO CN1CCN(CC2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC000635959291 417817124 /nfs/dbraw/zinc/81/71/24/417817124.db2.gz FJONJSYWNLUKNV-UHFFFAOYSA-N 1 3 310.486 0.670 20 0 DCADHO CN1CCN(CC2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC000635959291 417817130 /nfs/dbraw/zinc/81/71/30/417817130.db2.gz FJONJSYWNLUKNV-UHFFFAOYSA-N 1 3 310.486 0.670 20 0 DCADHO O=C(CNC[C@H]1CCCO1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662602491 417818089 /nfs/dbraw/zinc/81/80/89/417818089.db2.gz QZPQRSSAVZWPPE-JKSUJKDBSA-N 1 3 309.454 0.993 20 0 DCADHO Cc1c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662619562 417821798 /nfs/dbraw/zinc/82/17/98/417821798.db2.gz MMZIWLNYZONOLB-OLZOCXBDSA-N 1 3 320.441 0.724 20 0 DCADHO CN(CCC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccncc1 ZINC000636050229 417847306 /nfs/dbraw/zinc/84/73/06/417847306.db2.gz QXBFOGBZLDCEGE-INIZCTEOSA-N 1 3 320.437 0.871 20 0 DCADHO C[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646460468 417852880 /nfs/dbraw/zinc/85/28/80/417852880.db2.gz HXSYJWNGUQCMLW-OWCLPIDISA-N 1 3 322.497 0.954 20 0 DCADHO C[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000646460468 417852884 /nfs/dbraw/zinc/85/28/84/417852884.db2.gz HXSYJWNGUQCMLW-OWCLPIDISA-N 1 3 322.497 0.954 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@H](C)C2=CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652177363 417856752 /nfs/dbraw/zinc/85/67/52/417856752.db2.gz HXNQFYJSRQIREZ-BPLDGKMQSA-N 1 3 310.442 0.642 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662700890 417858284 /nfs/dbraw/zinc/85/82/84/417858284.db2.gz MBUOVLNMSIZNGJ-LBPRGKRZSA-N 1 3 306.414 0.274 20 0 DCADHO CN(C)CCOC1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652241709 417871370 /nfs/dbraw/zinc/87/13/70/417871370.db2.gz XFQVEHWSIZCWPZ-UHFFFAOYSA-N 1 3 312.458 0.868 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000662748547 417886290 /nfs/dbraw/zinc/88/62/90/417886290.db2.gz AVJIEOJKDAYKLM-NWDGAFQWSA-N 1 3 307.398 0.555 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)C2(NC3CC3)CCC2)CC12CCOCC2 ZINC000662784482 417904202 /nfs/dbraw/zinc/90/42/02/417904202.db2.gz KHAYEWYAUGRLEA-CYBMUJFWSA-N 1 3 307.438 0.875 20 0 DCADHO O=C(NCCN1CCCC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662669299 417843620 /nfs/dbraw/zinc/84/36/20/417843620.db2.gz WQURMTHEZXOLJZ-ZDUSSCGKSA-N 1 3 306.414 0.418 20 0 DCADHO NC1(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000663013738 417976955 /nfs/dbraw/zinc/97/69/55/417976955.db2.gz GVMYAAJIVJZXQA-GFCCVEGCSA-N 1 3 318.425 0.017 20 0 DCADHO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000662860114 417929179 /nfs/dbraw/zinc/92/91/79/417929179.db2.gz QHVGEDQDYBGXKJ-OWCLPIDISA-N 1 3 303.406 0.607 20 0 DCADHO CCO[C@@H]1CN(C(=O)Nc2ccnn2CCN(C)C)C[C@H]1C[NH3+] ZINC000652606943 417931738 /nfs/dbraw/zinc/93/17/38/417931738.db2.gz BWXPEGSYPOZDIF-CHWSQXEVSA-N 1 3 324.429 0.272 20 0 DCADHO CN(C(=O)[C@@H](N)C(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899797 417943470 /nfs/dbraw/zinc/94/34/70/417943470.db2.gz GYCGRSVBCIQWRQ-LSDHHAIUSA-N 1 3 310.486 0.987 20 0 DCADHO CN(C(=O)[C@@H](N)C(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899797 417943472 /nfs/dbraw/zinc/94/34/72/417943472.db2.gz GYCGRSVBCIQWRQ-LSDHHAIUSA-N 1 3 310.486 0.987 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000652695821 417946108 /nfs/dbraw/zinc/94/61/08/417946108.db2.gz BEIXFEKZIHZEKF-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000652695822 417946836 /nfs/dbraw/zinc/94/68/36/417946836.db2.gz BEIXFEKZIHZEKF-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662909308 417947895 /nfs/dbraw/zinc/94/78/95/417947895.db2.gz CQZOMGTXZAJPRB-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000652699716 417948111 /nfs/dbraw/zinc/94/81/11/417948111.db2.gz CDLGDMZXOLFPER-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000662939756 417958359 /nfs/dbraw/zinc/95/83/59/417958359.db2.gz WDFFDXUAGMRBBJ-UHFFFAOYSA-N 1 3 310.442 0.269 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2CCCCN2)CC1 ZINC000662939464 417958530 /nfs/dbraw/zinc/95/85/30/417958530.db2.gz GCJJHWDVMGYSDI-AWEZNQCLSA-N 1 3 310.442 0.235 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972871 417967743 /nfs/dbraw/zinc/96/77/43/417967743.db2.gz SIFQJRMFWBWCKS-MRXNPFEDSA-N 1 3 309.454 0.993 20 0 DCADHO Cc1cn[nH]c1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000647508946 418017374 /nfs/dbraw/zinc/01/73/74/418017374.db2.gz AOLPGJXZHLRABN-ZIAGYGMSSA-N 1 3 305.426 0.798 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000663507147 418028349 /nfs/dbraw/zinc/02/83/49/418028349.db2.gz YUGAUZZUDMRTCV-UHFFFAOYSA-N 1 3 307.442 0.809 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653116868 418029467 /nfs/dbraw/zinc/02/94/67/418029467.db2.gz XEAMTXFPYQAGBX-HNNXBMFYSA-N 1 3 322.453 0.143 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000647596668 418031368 /nfs/dbraw/zinc/03/13/68/418031368.db2.gz HDPDJGSEUSVQKZ-BFHYXJOUSA-N 1 3 310.442 0.315 20 0 DCADHO N[C@@H]1CCCCN(CC(=O)N(C2CC2)C2CC[NH2+]CC2)C1=O ZINC000647643837 418037787 /nfs/dbraw/zinc/03/77/87/418037787.db2.gz WTJMMORJXOQQIC-CQSZACIVSA-N 1 3 308.426 0.069 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663616334 418038885 /nfs/dbraw/zinc/03/88/85/418038885.db2.gz VYRHHWNHRROCMN-MRXNPFEDSA-N 1 3 304.394 0.555 20 0 DCADHO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@@H]1CC[NH3+] ZINC000653241052 418046551 /nfs/dbraw/zinc/04/65/51/418046551.db2.gz XFTIOPHUZJKUFO-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659509182 418108710 /nfs/dbraw/zinc/10/87/10/418108710.db2.gz XUTFDVYINYWRSK-HUUCEWRRSA-N 1 3 310.442 0.681 20 0 DCADHO CC(C)[NH+](CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(C)C ZINC000664284638 418110200 /nfs/dbraw/zinc/11/02/00/418110200.db2.gz ADEHRGUJLWPPNG-GJZGRUSLSA-N 1 3 314.474 0.812 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659528629 418111514 /nfs/dbraw/zinc/11/15/14/418111514.db2.gz FEIJCJCYTLZVTR-BBRMVZONSA-N 1 3 320.437 0.790 20 0 DCADHO CC1(OCC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CNC1 ZINC000648179051 418114349 /nfs/dbraw/zinc/11/43/49/418114349.db2.gz SCEJEFFKSVLJDX-UHFFFAOYSA-N 1 3 307.438 0.635 20 0 DCADHO CN(CCN1CCCCC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000653274242 418050683 /nfs/dbraw/zinc/05/06/83/418050683.db2.gz AVFGIHXDNIWEMW-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000647769851 418053569 /nfs/dbraw/zinc/05/35/69/418053569.db2.gz MLBCVULKCHRAIY-GDBMZVCRSA-N 1 3 304.438 0.686 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000659080316 418055620 /nfs/dbraw/zinc/05/56/20/418055620.db2.gz XAJZMWABINDICP-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)[NH+](C)C ZINC000659094691 418057429 /nfs/dbraw/zinc/05/74/29/418057429.db2.gz PCAWFESTVZPBOY-GFCCVEGCSA-N 1 3 318.421 0.727 20 0 DCADHO CNCc1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000659093731 418057590 /nfs/dbraw/zinc/05/75/90/418057590.db2.gz AUHVDNVAZBVFNZ-LBPRGKRZSA-N 1 3 306.410 0.801 20 0 DCADHO CCNS(=O)(=O)[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647990803 418083613 /nfs/dbraw/zinc/08/36/13/418083613.db2.gz IXQMJIKNTJWTRT-CQSZACIVSA-N 1 3 303.472 0.780 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659463500 418100906 /nfs/dbraw/zinc/10/09/06/418100906.db2.gz VCBAEZNOIAMYLX-UHFFFAOYSA-N 1 3 324.469 0.927 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659608784 418125335 /nfs/dbraw/zinc/12/53/35/418125335.db2.gz QIGZILZMERFVKT-CXOJTPOUSA-N 1 3 308.426 0.372 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000654373356 418138242 /nfs/dbraw/zinc/13/82/42/418138242.db2.gz ACFYUIRAJWZRLL-XUWVNRHRSA-N 1 3 324.469 0.567 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+]1CCC[C@H](C)C1 ZINC000654373356 418138246 /nfs/dbraw/zinc/13/82/46/418138246.db2.gz ACFYUIRAJWZRLL-XUWVNRHRSA-N 1 3 324.469 0.567 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654386402 418138727 /nfs/dbraw/zinc/13/87/27/418138727.db2.gz WRGZDLOMNOURFB-GBJTYRQASA-N 1 3 308.426 0.074 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654386402 418138729 /nfs/dbraw/zinc/13/87/29/418138729.db2.gz WRGZDLOMNOURFB-GBJTYRQASA-N 1 3 308.426 0.074 20 0 DCADHO CC(C)N1CCN(C2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000659567927 418120573 /nfs/dbraw/zinc/12/05/73/418120573.db2.gz BHFJWUNHGUNKIN-HNNXBMFYSA-N 1 3 323.485 0.548 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000654408099 418141793 /nfs/dbraw/zinc/14/17/93/418141793.db2.gz VUJDALWLCRZLOY-HRCADAONSA-N 1 3 324.469 0.567 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCCCC1 ZINC000659674259 418142017 /nfs/dbraw/zinc/14/20/17/418142017.db2.gz RJAHEPMUIFNQNU-UHFFFAOYSA-N 1 3 324.469 0.755 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N1CCCCC1 ZINC000659675143 418142237 /nfs/dbraw/zinc/14/22/37/418142237.db2.gz ZIYLROLWMBJNBW-UHFFFAOYSA-N 1 3 322.453 0.317 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654421305 418142691 /nfs/dbraw/zinc/14/26/91/418142691.db2.gz AMAWINGUSSWNST-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654421305 418142693 /nfs/dbraw/zinc/14/26/93/418142693.db2.gz AMAWINGUSSWNST-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654437843 418144155 /nfs/dbraw/zinc/14/41/55/418144155.db2.gz XPBRKQPBQBTZEW-KFWWJZLASA-N 1 3 312.458 0.737 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)C[NH+]1CCCC1 ZINC000659709177 418156028 /nfs/dbraw/zinc/15/60/28/418156028.db2.gz GINWXLQNNSYZGF-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](CN)C1 ZINC000659711312 418156818 /nfs/dbraw/zinc/15/68/18/418156818.db2.gz ZERBZTGMCJDLRK-LXTVHRRPSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](CN)C1 ZINC000659711312 418156822 /nfs/dbraw/zinc/15/68/22/418156822.db2.gz ZERBZTGMCJDLRK-LXTVHRRPSA-N 1 3 322.453 0.315 20 0 DCADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659711918 418157630 /nfs/dbraw/zinc/15/76/30/418157630.db2.gz FQUDTYNMOVDTSW-CQSZACIVSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000659719112 418161839 /nfs/dbraw/zinc/16/18/39/418161839.db2.gz VAWBLYPGEYQNBC-HZSPNIEDSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCC[C@H](C)C1 ZINC000659734952 418169446 /nfs/dbraw/zinc/16/94/46/418169446.db2.gz WNGUVPJNPBHSIY-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000659738204 418170592 /nfs/dbraw/zinc/17/05/92/418170592.db2.gz BKNKHDJBWWPNIO-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000659738691 418170832 /nfs/dbraw/zinc/17/08/32/418170832.db2.gz IMZFAGOHZRJDRP-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)C1 ZINC000659739322 418172177 /nfs/dbraw/zinc/17/21/77/418172177.db2.gz QUFMJEFAHWJXQX-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741089 418172186 /nfs/dbraw/zinc/17/21/86/418172186.db2.gz KSDICLKMIDETRV-CBCUQQMYSA-N 1 3 322.453 0.091 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000659741541 418173414 /nfs/dbraw/zinc/17/34/14/418173414.db2.gz ODBQLSRULZXPJV-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CNCCC1(F)F ZINC000649344599 418243695 /nfs/dbraw/zinc/24/36/95/418243695.db2.gz FRFOKOLVEXAVKB-NWDGAFQWSA-N 1 3 307.385 0.704 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CNCCC1(F)F ZINC000649344601 418244557 /nfs/dbraw/zinc/24/45/57/418244557.db2.gz FRFOKOLVEXAVKB-VXGBXAGGSA-N 1 3 307.385 0.704 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H](C)N(C)C)CC1=O ZINC000665549848 418218753 /nfs/dbraw/zinc/21/87/53/418218753.db2.gz MIXLRYNBMDOQCG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC[C@H](C)N(C)C)CC1=O ZINC000665549848 418218756 /nfs/dbraw/zinc/21/87/56/418218756.db2.gz MIXLRYNBMDOQCG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649280747 418221032 /nfs/dbraw/zinc/22/10/32/418221032.db2.gz IUALKWUGMSFIFM-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649280747 418221033 /nfs/dbraw/zinc/22/10/33/418221033.db2.gz IUALKWUGMSFIFM-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO Cc1cc(C)n(CC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)n1 ZINC000649420400 418253900 /nfs/dbraw/zinc/25/39/00/418253900.db2.gz GTOWVFDMWCGNOE-HNNXBMFYSA-N 1 3 303.414 0.887 20 0 DCADHO Cc1cc(C)n(CC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)n1 ZINC000649420400 418253901 /nfs/dbraw/zinc/25/39/01/418253901.db2.gz GTOWVFDMWCGNOE-HNNXBMFYSA-N 1 3 303.414 0.887 20 0 DCADHO CC(C)C[C@@H](CNC(=O)CN1CCCC[C@@H](N)C1=O)[NH+](C)C ZINC000649285168 418222708 /nfs/dbraw/zinc/22/27/08/418222708.db2.gz PHTSMYNPDGGYDL-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000660055430 418225366 /nfs/dbraw/zinc/22/53/66/418225366.db2.gz DQWSLQLERBSENX-HOCLYGCPSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c2ncnn21 ZINC000665602385 418226117 /nfs/dbraw/zinc/22/61/17/418226117.db2.gz PFCXMHLECWUJEW-STQMWFEESA-N 1 3 323.445 0.419 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649318741 418235407 /nfs/dbraw/zinc/23/54/07/418235407.db2.gz HBMAXVMKINQFQB-NWDGAFQWSA-N 1 3 305.369 0.458 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655690202 418288606 /nfs/dbraw/zinc/28/86/06/418288606.db2.gz ZNONJBOOTYVJOA-WMZOPIPTSA-N 1 3 324.513 0.855 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656020407 418317604 /nfs/dbraw/zinc/31/76/04/418317604.db2.gz RKFBBYLDBHDHHK-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000655489374 418267929 /nfs/dbraw/zinc/26/79/29/418267929.db2.gz PGAIMYLJUKTPPR-XKSGDERDSA-N 1 3 309.454 0.975 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656355179 418349148 /nfs/dbraw/zinc/34/91/48/418349148.db2.gz KAEFZTCUDUFCPF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COc1cncnc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000656645740 418368400 /nfs/dbraw/zinc/36/84/00/418368400.db2.gz LOMFAIKZNHCOER-UHFFFAOYSA-N 1 3 310.402 0.442 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000661988702 418374639 /nfs/dbraw/zinc/37/46/39/418374639.db2.gz ZDVORZKAKMZOFJ-BMFZPTHFSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000661988702 418374641 /nfs/dbraw/zinc/37/46/41/418374641.db2.gz ZDVORZKAKMZOFJ-BMFZPTHFSA-N 1 3 322.453 0.585 20 0 DCADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000662260930 418393992 /nfs/dbraw/zinc/39/39/92/418393992.db2.gz RPCLATJUJXGBME-CQSZACIVSA-N 1 3 317.437 0.925 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@H]2CNCCO2)CC1 ZINC000662260540 418394984 /nfs/dbraw/zinc/39/49/84/418394984.db2.gz OVYMQJQHPJMKPK-IXDOHACOSA-N 1 3 310.486 0.465 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CNCCO2)CC1 ZINC000662260540 418394986 /nfs/dbraw/zinc/39/49/86/418394986.db2.gz OVYMQJQHPJMKPK-IXDOHACOSA-N 1 3 310.486 0.465 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000662306225 418399108 /nfs/dbraw/zinc/39/91/08/418399108.db2.gz PHMHXLIJGDEOBL-HQVVEAJESA-N 1 3 316.449 0.829 20 0 DCADHO CC(C)OC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662457475 418411227 /nfs/dbraw/zinc/41/12/27/418411227.db2.gz JVXFHRXNMVGTNP-ZFWWWQNUSA-N 1 3 312.458 0.023 20 0 DCADHO CC(C)OC[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662457475 418411228 /nfs/dbraw/zinc/41/12/28/418411228.db2.gz JVXFHRXNMVGTNP-ZFWWWQNUSA-N 1 3 312.458 0.023 20 0 DCADHO CC(C)OC[C@H](N)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662457475 418411229 /nfs/dbraw/zinc/41/12/29/418411229.db2.gz JVXFHRXNMVGTNP-ZFWWWQNUSA-N 1 3 312.458 0.023 20 0 DCADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCC3CC[NH2+]CC3)C[C@H]21 ZINC000662313932 418400500 /nfs/dbraw/zinc/40/05/00/418400500.db2.gz NPGGYHUKQHHVFX-MJBXVCDLSA-N 1 3 302.440 0.120 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CCC1 ZINC000354693452 261260435 /nfs/dbraw/zinc/26/04/35/261260435.db2.gz YOBJGBJVJMFEKO-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354722206 261263140 /nfs/dbraw/zinc/26/31/40/261263140.db2.gz ZGEIIOYIHDQYPW-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354721165 261263460 /nfs/dbraw/zinc/26/34/60/261263460.db2.gz YPCSZJKPVAULCA-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000355318067 261330343 /nfs/dbraw/zinc/33/03/43/261330343.db2.gz NDFJOOFTXXFSMF-BFHYXJOUSA-N 1 3 314.474 0.630 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358853763 261706860 /nfs/dbraw/zinc/70/68/60/261706860.db2.gz FNVAJYDZNDIVQA-MRXNPFEDSA-N 1 3 322.428 0.622 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362970821 262090469 /nfs/dbraw/zinc/09/04/69/262090469.db2.gz OKLPGEBWQRCHIF-CAOSSQGBSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000362970821 262090472 /nfs/dbraw/zinc/09/04/72/262090472.db2.gz OKLPGEBWQRCHIF-CAOSSQGBSA-N 1 3 322.453 0.776 20 0 DCADHO CCCN(C(=O)NCCCN(C)CCOC)[C@@H]1CC[NH2+]C1 ZINC000417098676 262246260 /nfs/dbraw/zinc/24/62/60/262246260.db2.gz YVMXPGLZBSXVRW-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO [NH3+]CCN(CCO)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417121426 262246658 /nfs/dbraw/zinc/24/66/58/262246658.db2.gz WFXPAOJJTWSHKX-INIZCTEOSA-N 1 3 320.437 0.614 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417389087 262250984 /nfs/dbraw/zinc/25/09/84/262250984.db2.gz PGMLKCRONDDECK-CQSZACIVSA-N 1 3 320.441 0.240 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000417710366 262258336 /nfs/dbraw/zinc/25/83/36/262258336.db2.gz PJCVBSJHWMKFPG-KKUMJFAQSA-N 1 3 312.458 0.771 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417733889 262259517 /nfs/dbraw/zinc/25/95/17/262259517.db2.gz JFXHDKBQBAGCTK-ZDUSSCGKSA-N 1 3 304.438 0.980 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000417747156 262260016 /nfs/dbraw/zinc/26/00/16/262260016.db2.gz HACGBTWQXXFYKT-HUUCEWRRSA-N 1 3 313.490 0.543 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCSC1 ZINC000417823054 262262715 /nfs/dbraw/zinc/26/27/15/262262715.db2.gz JGFDUQLJJAQSAW-OBJOEFQTSA-N 1 3 300.472 0.850 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000417814675 262262818 /nfs/dbraw/zinc/26/28/18/262262818.db2.gz SEGVMWRNGJHPEB-CYBMUJFWSA-N 1 3 300.447 0.770 20 0 DCADHO COCCNCCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000417909003 262265160 /nfs/dbraw/zinc/26/51/60/262265160.db2.gz HOXUNLJVPFGXAS-OAHLLOKOSA-N 1 3 314.474 0.890 20 0 DCADHO COCCNCCNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000417909003 262265161 /nfs/dbraw/zinc/26/51/61/262265161.db2.gz HOXUNLJVPFGXAS-OAHLLOKOSA-N 1 3 314.474 0.890 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NCC(C)(C)[NH3+])ccn1 ZINC000417949435 262265925 /nfs/dbraw/zinc/26/59/25/262265925.db2.gz KFCSMPAHJXQZEG-UHFFFAOYSA-N 1 3 309.414 0.559 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccn1 ZINC000417958476 262266298 /nfs/dbraw/zinc/26/62/98/262266298.db2.gz VFCGXAHOVJONDN-NHAGDIPZSA-N 1 3 319.409 0.039 20 0 DCADHO CC(C)(C[NH3+])NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417992771 262267380 /nfs/dbraw/zinc/26/73/80/262267380.db2.gz NBTDSALXSQHYLK-OAHLLOKOSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418526121 262281672 /nfs/dbraw/zinc/28/16/72/262281672.db2.gz NANAITNYIRFOEG-WMLDXEAASA-N 1 3 320.437 0.660 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418590558 262283283 /nfs/dbraw/zinc/28/32/83/262283283.db2.gz KZAAVBCINOKPSV-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418597509 262283462 /nfs/dbraw/zinc/28/34/62/262283462.db2.gz DUKMVEIFYYJMFX-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO COCC1(CNC(=O)N(C)CCN2CCCC2)CC[NH2+]CC1 ZINC000418638792 262284525 /nfs/dbraw/zinc/28/45/25/262284525.db2.gz LUYWGRVTSKMLNN-UHFFFAOYSA-N 1 3 312.458 0.740 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418793718 262290102 /nfs/dbraw/zinc/29/01/02/262290102.db2.gz OYDBRMTZNGVITC-RBSFLKMASA-N 1 3 312.458 0.594 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419019833 262305611 /nfs/dbraw/zinc/30/56/11/262305611.db2.gz DZIRGYNBPWJFTI-XGUBFFRZSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419077820 262307421 /nfs/dbraw/zinc/30/74/21/262307421.db2.gz JXKNGLULBCVFDE-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419096434 262309010 /nfs/dbraw/zinc/30/90/10/262309010.db2.gz CIQLSILMUGQGOY-CQSZACIVSA-N 1 3 322.453 0.403 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419122075 262310404 /nfs/dbraw/zinc/31/04/04/262310404.db2.gz MVSRNAUTJCEBGE-SOUVJXGZSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419123724 262310823 /nfs/dbraw/zinc/31/08/23/262310823.db2.gz PYZRDAGUQJZFBH-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)CN)[NH+]1CCCCCC1 ZINC000419129451 262311649 /nfs/dbraw/zinc/31/16/49/262311649.db2.gz YEKLDVQBHJVDCG-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419130135 262312047 /nfs/dbraw/zinc/31/20/47/262312047.db2.gz ARASTCISDPAIRT-UKRRQHHQSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419130135 262312048 /nfs/dbraw/zinc/31/20/48/262312048.db2.gz ARASTCISDPAIRT-UKRRQHHQSA-N 1 3 324.469 0.324 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419166944 262315765 /nfs/dbraw/zinc/31/57/65/262315765.db2.gz IEFDUYGDDNJGRG-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419170133 262316285 /nfs/dbraw/zinc/31/62/85/262316285.db2.gz NEDOAQMQFFVROQ-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419170130 262316403 /nfs/dbraw/zinc/31/64/03/262316403.db2.gz NEDOAQMQFFVROQ-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419235375 262322083 /nfs/dbraw/zinc/32/20/83/262322083.db2.gz YXDKEIUYDRCBED-OAHLLOKOSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419411192 262331250 /nfs/dbraw/zinc/33/12/50/262331250.db2.gz BDTSIOUZDXCWLA-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419483080 262333637 /nfs/dbraw/zinc/33/36/37/262333637.db2.gz RHMHTPCQQYQFIF-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419483080 262333639 /nfs/dbraw/zinc/33/36/39/262333639.db2.gz RHMHTPCQQYQFIF-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419590847 262338944 /nfs/dbraw/zinc/33/89/44/262338944.db2.gz QPNNZRFDTTZLBK-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419592025 262339313 /nfs/dbraw/zinc/33/93/13/262339313.db2.gz RLLNCMNPXKWZDM-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419691813 262345666 /nfs/dbraw/zinc/34/56/66/262345666.db2.gz GAZRMKCEIJYKGX-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419695052 262346077 /nfs/dbraw/zinc/34/60/77/262346077.db2.gz LWOLCYFAYNMHGJ-UKRRQHHQSA-N 1 3 322.453 0.330 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699531 262347382 /nfs/dbraw/zinc/34/73/82/262347382.db2.gz WGFGBNYIEWVHCV-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419701311 262347440 /nfs/dbraw/zinc/34/74/40/262347440.db2.gz TWNOLTZFZWCNQX-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419838514 262348099 /nfs/dbraw/zinc/34/80/99/262348099.db2.gz FVFOMDZWHYWDGD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419842564 262348435 /nfs/dbraw/zinc/34/84/35/262348435.db2.gz BKCIYENTYUFUOD-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000419989218 262355911 /nfs/dbraw/zinc/35/59/11/262355911.db2.gz GLLMGCCZBATNDP-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000419989218 262355913 /nfs/dbraw/zinc/35/59/13/262355913.db2.gz GLLMGCCZBATNDP-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000419994185 262356605 /nfs/dbraw/zinc/35/66/05/262356605.db2.gz GFCCQEJMMDVTDH-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419994542 262356811 /nfs/dbraw/zinc/35/68/11/262356811.db2.gz JLTXIRSKKYYZKU-HZSPNIEDSA-N 1 3 312.458 0.323 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000420103271 262360979 /nfs/dbraw/zinc/36/09/79/262360979.db2.gz QVRFHBLVPXLKKZ-ZDUSSCGKSA-N 1 3 312.458 0.561 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000420151655 262364039 /nfs/dbraw/zinc/36/40/39/262364039.db2.gz YPGUWQVZVDLYHV-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000420151655 262364041 /nfs/dbraw/zinc/36/40/41/262364041.db2.gz YPGUWQVZVDLYHV-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000420152255 262364236 /nfs/dbraw/zinc/36/42/36/262364236.db2.gz ZENHCCRXWMDYCV-MJBXVCDLSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420157686 262364703 /nfs/dbraw/zinc/36/47/03/262364703.db2.gz GNVQPHOXDIRRNL-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH2+][C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000420268321 262368790 /nfs/dbraw/zinc/36/87/90/262368790.db2.gz GPDSBJUZXKIAGF-HZPDHXFCSA-N 1 3 304.438 0.699 20 0 DCADHO CCN(C)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420982927 262388288 /nfs/dbraw/zinc/38/82/88/262388288.db2.gz PXRGNUZNTDNSGJ-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CCN(C)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420982927 262388290 /nfs/dbraw/zinc/38/82/90/262388290.db2.gz PXRGNUZNTDNSGJ-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CCN(CC)C(=O)CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359226566 271108483 /nfs/dbraw/zinc/10/84/83/271108483.db2.gz VIIBARXYCJJWQD-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CN1CCC[C@H]1CC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000363458708 271192478 /nfs/dbraw/zinc/19/24/78/271192478.db2.gz AFBBFOUMVHKXHT-BBRMVZONSA-N 1 3 308.426 0.781 20 0 DCADHO C[NH2+]CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418330895 271242886 /nfs/dbraw/zinc/24/28/86/271242886.db2.gz PNQIFBGRRDGVIW-OKILXGFUSA-N 1 3 312.458 0.737 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418439108 271244132 /nfs/dbraw/zinc/24/41/32/271244132.db2.gz JPQZVAUJCJZBEB-HUUCEWRRSA-N 1 3 314.474 0.752 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000418873981 271259784 /nfs/dbraw/zinc/25/97/84/271259784.db2.gz UOBDDOUXGABZCX-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H](C)CN(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000418951628 271262841 /nfs/dbraw/zinc/26/28/41/271262841.db2.gz UQYYTLLJQVRHTC-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419026410 271265612 /nfs/dbraw/zinc/26/56/12/271265612.db2.gz NNSVWYNGGZFFOJ-LJISPDSOSA-N 1 3 324.469 0.337 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419028042 271266417 /nfs/dbraw/zinc/26/64/17/271266417.db2.gz PSPIPLUTAHOHAK-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419403009 271288783 /nfs/dbraw/zinc/28/87/83/271288783.db2.gz CYGWZCLGINLOSI-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419431256 271289744 /nfs/dbraw/zinc/28/97/44/271289744.db2.gz WZFATVBFRQKSJN-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419520225 271297122 /nfs/dbraw/zinc/29/71/22/271297122.db2.gz HESLOIUOFNQRKW-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419522802 271298282 /nfs/dbraw/zinc/29/82/82/271298282.db2.gz NNDPRLXWBXTZKK-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N(C)C1CC1 ZINC000419578474 271309709 /nfs/dbraw/zinc/30/97/09/271309709.db2.gz DVTKQEMEVBJQPQ-FRRDWIJNSA-N 1 3 310.442 0.171 20 0 DCADHO NCCNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000419812431 271326470 /nfs/dbraw/zinc/32/64/70/271326470.db2.gz FEKCWOBBHRSDHN-UHFFFAOYSA-N 1 3 310.442 0.176 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419888113 271338565 /nfs/dbraw/zinc/33/85/65/271338565.db2.gz QWIOUEMOCUXQKA-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419935217 271345422 /nfs/dbraw/zinc/34/54/22/271345422.db2.gz IMDXMFQEBAKMQK-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[NH3+])c1 ZINC000420014327 271351380 /nfs/dbraw/zinc/35/13/80/271351380.db2.gz NJWYMZKILKKGLZ-CQSZACIVSA-N 1 3 320.437 0.349 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420017496 271353212 /nfs/dbraw/zinc/35/32/12/271353212.db2.gz OERZTSYTBAONPA-MCIONIFRSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](N)C[C@H](C)[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422827223 271386972 /nfs/dbraw/zinc/38/69/72/271386972.db2.gz MTUQZXDXEIQICU-GJZGRUSLSA-N 1 3 306.458 0.704 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NCCCN1CCN(c2ncccn2)CC1 ZINC000422827223 271386976 /nfs/dbraw/zinc/38/69/76/271386976.db2.gz MTUQZXDXEIQICU-GJZGRUSLSA-N 1 3 306.458 0.704 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000459909593 272018610 /nfs/dbraw/zinc/01/86/10/272018610.db2.gz BDGITBMGGRPNKX-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000471659383 272028425 /nfs/dbraw/zinc/02/84/25/272028425.db2.gz QGIQJUDAZYLRLF-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000471659383 272028427 /nfs/dbraw/zinc/02/84/27/272028427.db2.gz QGIQJUDAZYLRLF-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO CCN(CCNC(=O)/C=C\C[NH+](C)C)C(=O)/C=C\CN(C)C ZINC000492669279 272140356 /nfs/dbraw/zinc/14/03/56/272140356.db2.gz LAZAUZDHYJGWRP-XOHWUJONSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)/C=C\CN(C)C)C(=O)/C=C\C[NH+](C)C ZINC000492669279 272140357 /nfs/dbraw/zinc/14/03/57/272140357.db2.gz LAZAUZDHYJGWRP-XOHWUJONSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000532336349 272785095 /nfs/dbraw/zinc/78/50/95/272785095.db2.gz OZETWHJVHFZQFN-AWEZNQCLSA-N 1 3 322.457 0.402 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000519649014 287676764 /nfs/dbraw/zinc/67/67/64/287676764.db2.gz XEFLTBXCJWAYIE-HNNXBMFYSA-N 1 3 306.410 0.778 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)COC[C@H]1CCCO1 ZINC000530641505 287752360 /nfs/dbraw/zinc/75/23/60/287752360.db2.gz MTXXVSMBWMHGEG-CQSZACIVSA-N 1 3 301.431 0.134 20 0 DCADHO COC1(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CCOCC1 ZINC000365339389 277469889 /nfs/dbraw/zinc/46/98/89/277469889.db2.gz XZNQXQWQXGCUKX-HNNXBMFYSA-N 1 3 311.470 0.940 20 0 DCADHO C[C@@H](CCNC(=O)NC[C@]1(O)CCN(C)C1)[NH+]1CCCCC1 ZINC000546590710 288019680 /nfs/dbraw/zinc/01/96/80/288019680.db2.gz VWAPZNZZTSBNBR-GOEBONIOSA-N 1 3 312.458 0.617 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546591072 288019853 /nfs/dbraw/zinc/01/98/53/288019853.db2.gz UKZUTUWYFFOBHC-ZBFHGGJFSA-N 1 3 312.458 0.617 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546591072 288019855 /nfs/dbraw/zinc/01/98/55/288019855.db2.gz UKZUTUWYFFOBHC-ZBFHGGJFSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546591589 288019931 /nfs/dbraw/zinc/01/99/31/288019931.db2.gz BJEKTUWZHRRSQO-YCPHGPKFSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546591589 288019932 /nfs/dbraw/zinc/01/99/32/288019932.db2.gz BJEKTUWZHRRSQO-YCPHGPKFSA-N 1 3 312.458 0.473 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000370117271 279034688 /nfs/dbraw/zinc/03/46/88/279034688.db2.gz QNFNUCIEQICCIM-JYJNAYRXSA-N 1 3 324.469 0.833 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000370117271 279034689 /nfs/dbraw/zinc/03/46/89/279034689.db2.gz QNFNUCIEQICCIM-JYJNAYRXSA-N 1 3 324.469 0.833 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339636909 279179902 /nfs/dbraw/zinc/17/99/02/279179902.db2.gz KRVVRCLYVHKULP-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)C1CC1 ZINC000359278896 279189532 /nfs/dbraw/zinc/18/95/32/279189532.db2.gz UKIYNXYXBMMACG-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418829909 279290705 /nfs/dbraw/zinc/29/07/05/279290705.db2.gz FASRLVYFRZUMRP-HIFRSBDPSA-N 1 3 320.437 0.081 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000333857566 288134273 /nfs/dbraw/zinc/13/42/73/288134273.db2.gz RHYXDSLJXJGQKZ-IUODEOHRSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@H]1C[C@@H](NCCN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1C ZINC000548485269 288147832 /nfs/dbraw/zinc/14/78/32/288147832.db2.gz HZHOYHJKCDVZON-STQMWFEESA-N 1 3 308.426 0.923 20 0 DCADHO C[C@H]1C[C@@H](NCCN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000548485269 288147834 /nfs/dbraw/zinc/14/78/34/288147834.db2.gz HZHOYHJKCDVZON-STQMWFEESA-N 1 3 308.426 0.923 20 0 DCADHO NC(=O)NC(=O)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000548907489 288186588 /nfs/dbraw/zinc/18/65/88/288186588.db2.gz PZCHEEIRYUGYHK-UHFFFAOYSA-N 1 3 318.421 0.868 20 0 DCADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332585856 281188033 /nfs/dbraw/zinc/18/80/33/281188033.db2.gz HQTREXCFPRDZQU-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332585856 281188034 /nfs/dbraw/zinc/18/80/34/281188034.db2.gz HQTREXCFPRDZQU-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000332596189 281188091 /nfs/dbraw/zinc/18/80/91/281188091.db2.gz HPPSUKYVWGBQEC-UONOGXRCSA-N 1 3 308.426 0.021 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333617257 281280636 /nfs/dbraw/zinc/28/06/36/281280636.db2.gz YWGMVLCAJCQZTD-UONOGXRCSA-N 1 3 310.442 0.394 20 0 DCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000333617252 281281685 /nfs/dbraw/zinc/28/16/85/281281685.db2.gz YWGMVLCAJCQZTD-KBPBESRZSA-N 1 3 310.442 0.394 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000353433894 288357738 /nfs/dbraw/zinc/35/77/38/288357738.db2.gz VGUKFUABKXPURO-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)n1C ZINC000555889438 288365220 /nfs/dbraw/zinc/36/52/20/288365220.db2.gz UCFUNRSFFOSYML-UHFFFAOYSA-N 1 3 324.425 0.377 20 0 DCADHO CN(C)[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC000561148521 288528445 /nfs/dbraw/zinc/52/84/45/288528445.db2.gz DFFFUDZSDVREBX-WCVJEAGWSA-N 1 3 302.422 0.676 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000562689892 288591736 /nfs/dbraw/zinc/59/17/36/288591736.db2.gz SKRHGKGLLCQRTO-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564979702 288801119 /nfs/dbraw/zinc/80/11/19/288801119.db2.gz MITWEBXIVMTHAW-STQMWFEESA-N 1 3 300.447 0.275 20 0 DCADHO COc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000565813666 288879362 /nfs/dbraw/zinc/87/93/62/288879362.db2.gz LBSFPVXWKRGJQX-UHFFFAOYSA-N 1 3 323.441 0.725 20 0 DCADHO CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331698392 289381347 /nfs/dbraw/zinc/38/13/47/289381347.db2.gz ZSLMQPAYAADJAQ-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000415131392 295216086 /nfs/dbraw/zinc/21/60/86/295216086.db2.gz SDPVJQSFUZCAFU-DOTOQJQBSA-N 1 3 316.449 0.830 20 0 DCADHO C[C@H]1COCCN(CCOCC[N@@H+]2CCOC[C@H](C)C2)C1 ZINC000374369253 300339971 /nfs/dbraw/zinc/33/99/71/300339971.db2.gz YGGFJVFNUJUGLV-HZPDHXFCSA-N 1 3 300.443 0.940 20 0 DCADHO C[C@H]1COCCN(CCOCC[N@H+]2CCOC[C@H](C)C2)C1 ZINC000374369253 300339973 /nfs/dbraw/zinc/33/99/73/300339973.db2.gz YGGFJVFNUJUGLV-HZPDHXFCSA-N 1 3 300.443 0.940 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC001573646710 1159228526 /nfs/dbraw/zinc/22/85/26/1159228526.db2.gz VIPABHZFESKASP-RDBSUJKOSA-N 1 3 303.472 0.778 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)CC[NH2+]C(C)C)CC1 ZINC000577865244 341944661 /nfs/dbraw/zinc/94/46/61/341944661.db2.gz PHJJKBVHRYTPAV-UHFFFAOYSA-N 1 3 313.442 0.766 20 0 DCADHO CN(CCC[NH2+]CCN1CCCC1=O)C(=O)CN1CCCC1 ZINC001569267520 1160999169 /nfs/dbraw/zinc/99/91/69/1160999169.db2.gz YFQZQAOXDCDJLY-UHFFFAOYSA-N 1 3 310.442 0.143 20 0 DCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H](C)[NH3+])CC1 ZINC000236886628 521688862 /nfs/dbraw/zinc/68/88/62/521688862.db2.gz OOFGYCFARBQFLL-AWEZNQCLSA-N 1 3 304.438 0.788 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495361915 536481268 /nfs/dbraw/zinc/48/12/68/536481268.db2.gz KDIRCNWNMGCDTD-HNNXBMFYSA-N 1 3 301.431 0.946 20 0 DCADHO C[N@H+]1CC[C@](O)(CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495361915 536481271 /nfs/dbraw/zinc/48/12/71/536481271.db2.gz KDIRCNWNMGCDTD-HNNXBMFYSA-N 1 3 301.431 0.946 20 0 DCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCN(CC)CC2)CC1 ZINC000430551293 535461094 /nfs/dbraw/zinc/46/10/94/535461094.db2.gz LQGDPGBFJKGXFS-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423130334 536094383 /nfs/dbraw/zinc/09/43/83/536094383.db2.gz RUVORXXEVJUVHJ-MGPQQGTHSA-N 1 3 318.487 0.364 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000333395344 546079869 /nfs/dbraw/zinc/07/98/69/546079869.db2.gz DFKYNCWAIJFLAK-KBPBESRZSA-N 1 3 320.441 1.193 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000333395344 546079872 /nfs/dbraw/zinc/07/98/72/546079872.db2.gz DFKYNCWAIJFLAK-KBPBESRZSA-N 1 3 320.441 1.193 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333734251 546091020 /nfs/dbraw/zinc/09/10/20/546091020.db2.gz IEDRMTRYZYCHJZ-KBPBESRZSA-N 1 3 311.474 0.452 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCCC1 ZINC000655295949 546362032 /nfs/dbraw/zinc/36/20/32/546362032.db2.gz RFFHCPGMYVRFMZ-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000666919725 546526576 /nfs/dbraw/zinc/52/65/76/546526576.db2.gz CJKLPTAPFHBTAK-ZBFHGGJFSA-N 1 3 324.469 0.711 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000666919725 546526581 /nfs/dbraw/zinc/52/65/81/546526581.db2.gz CJKLPTAPFHBTAK-ZBFHGGJFSA-N 1 3 324.469 0.711 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000668549379 546782231 /nfs/dbraw/zinc/78/22/31/546782231.db2.gz XJOSAMXUSVPYFD-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000668549379 546782236 /nfs/dbraw/zinc/78/22/36/546782236.db2.gz XJOSAMXUSVPYFD-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC(F)(F)CN)C2)CC1 ZINC000669484153 546977689 /nfs/dbraw/zinc/97/76/89/546977689.db2.gz FLMQHAHPVPLNGP-NSHDSACASA-N 1 3 319.400 0.048 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCC(F)(F)CN)C2)CC1 ZINC000669484153 546977692 /nfs/dbraw/zinc/97/76/92/546977692.db2.gz FLMQHAHPVPLNGP-NSHDSACASA-N 1 3 319.400 0.048 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NCC(F)(F)CN)C2)CC1 ZINC000669484153 546977694 /nfs/dbraw/zinc/97/76/94/546977694.db2.gz FLMQHAHPVPLNGP-NSHDSACASA-N 1 3 319.400 0.048 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000669529076 546985352 /nfs/dbraw/zinc/98/53/52/546985352.db2.gz DESUTVYDEVBTOR-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672015024 547313659 /nfs/dbraw/zinc/31/36/59/547313659.db2.gz QKLXTGTWSBMNRE-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1COCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673158109 547453081 /nfs/dbraw/zinc/45/30/81/547453081.db2.gz OMLCBTVJGLQPSJ-GJZGRUSLSA-N 1 3 314.474 0.794 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000673520242 547494843 /nfs/dbraw/zinc/49/48/43/547494843.db2.gz COCMNUBWRBDOKO-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO Cc1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)ncn1 ZINC000677483113 547881403 /nfs/dbraw/zinc/88/14/03/547881403.db2.gz XLROTVWKBCMIKO-UHFFFAOYSA-N 1 3 308.430 0.420 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCC[NH+](C)C ZINC000683819328 548521105 /nfs/dbraw/zinc/52/11/05/548521105.db2.gz QHAWZZXFZMRPSA-CQSZACIVSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCN1CCCC1=O ZINC001667060080 1174659772 /nfs/dbraw/zinc/65/97/72/1174659772.db2.gz ZZZUMEIOJNDZPP-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCOCC[NH3+])C[C@@H](O)COc1ccccc1Cl ZINC000923402341 667526378 /nfs/dbraw/zinc/52/63/78/667526378.db2.gz FFDUHPXHJKJZIW-GFCCVEGCSA-N 1 3 302.802 0.987 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980703818 660987645 /nfs/dbraw/zinc/98/76/45/660987645.db2.gz JIFBKWLTPAESGQ-QWHCGFSZSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H](O)CN1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964806 660988414 /nfs/dbraw/zinc/98/84/14/660988414.db2.gz PBVWHYAWIIQSEM-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998550570 665478688 /nfs/dbraw/zinc/47/86/88/665478688.db2.gz NBQYIULLJRMNAB-BCLQGDPASA-N 1 3 319.453 0.636 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001023084252 657486042 /nfs/dbraw/zinc/48/60/42/657486042.db2.gz LNSPMPWOSPKFFK-MCIONIFRSA-N 1 3 318.421 0.779 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001023084252 657486051 /nfs/dbraw/zinc/48/60/51/657486051.db2.gz LNSPMPWOSPKFFK-MCIONIFRSA-N 1 3 318.421 0.779 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000892335554 657499002 /nfs/dbraw/zinc/49/90/02/657499002.db2.gz UFZYCEUMVGJFRT-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000892335554 657499004 /nfs/dbraw/zinc/49/90/04/657499004.db2.gz UFZYCEUMVGJFRT-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000891600545 657513819 /nfs/dbraw/zinc/51/38/19/657513819.db2.gz CHMYRPLABWTBCV-LSDHHAIUSA-N 1 3 311.474 0.393 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021254660 657523666 /nfs/dbraw/zinc/52/36/66/657523666.db2.gz RHKUBFCPPRRKCA-UYTSQGDYSA-N 1 3 309.454 0.963 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021254660 657523670 /nfs/dbraw/zinc/52/36/70/657523670.db2.gz RHKUBFCPPRRKCA-UYTSQGDYSA-N 1 3 309.454 0.963 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021254663 657523690 /nfs/dbraw/zinc/52/36/90/657523690.db2.gz RHKUBFCPPRRKCA-WTXIUTQJSA-N 1 3 309.454 0.963 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021254663 657523695 /nfs/dbraw/zinc/52/36/95/657523695.db2.gz RHKUBFCPPRRKCA-WTXIUTQJSA-N 1 3 309.454 0.963 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001023126521 657538507 /nfs/dbraw/zinc/53/85/07/657538507.db2.gz ZTDZKDYIEIFUOS-DFBGVHRSSA-N 1 3 318.421 0.472 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC000970483938 657562571 /nfs/dbraw/zinc/56/25/71/657562571.db2.gz NISKMKJCGNTPMU-CHWSQXEVSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC000970483938 657562578 /nfs/dbraw/zinc/56/25/78/657562578.db2.gz NISKMKJCGNTPMU-CHWSQXEVSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998724611 665512253 /nfs/dbraw/zinc/51/22/53/665512253.db2.gz UYYWSARVZLLDRB-HZPDHXFCSA-N 1 3 319.453 0.903 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2CN(C[C@H](C)O)C2)CC1 ZINC000970669940 657765339 /nfs/dbraw/zinc/76/53/39/657765339.db2.gz GRVSLDYCBFYQLX-UONOGXRCSA-N 1 3 311.470 0.924 20 0 DCADHO C[N@@H+]1CCN(CCNC(=O)NCc2cc(N)ccn2)CC1(C)C ZINC000891885610 657876453 /nfs/dbraw/zinc/87/64/53/657876453.db2.gz SILKQHFMIVDHPB-UHFFFAOYSA-N 1 3 320.441 0.489 20 0 DCADHO C[N@H+]1CCN(CCNC(=O)NCc2cc(N)ccn2)CC1(C)C ZINC000891885610 657876458 /nfs/dbraw/zinc/87/64/58/657876458.db2.gz SILKQHFMIVDHPB-UHFFFAOYSA-N 1 3 320.441 0.489 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC000970792731 657909955 /nfs/dbraw/zinc/90/99/55/657909955.db2.gz TVOLDAAOVJEONH-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969800962 658155279 /nfs/dbraw/zinc/15/52/79/658155279.db2.gz YHSJVWIVPBXFNM-CQSZACIVSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cn1 ZINC001020588866 658159491 /nfs/dbraw/zinc/15/94/91/658159491.db2.gz OUAKLLRUQHNGMS-RCBQFDQVSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001020589242 658160569 /nfs/dbraw/zinc/16/05/69/658160569.db2.gz ZWNRJCJVPALQIB-FVQBIDKESA-N 1 3 319.453 0.541 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)C2CN(CCCO)C2)C1 ZINC000969833691 658191247 /nfs/dbraw/zinc/19/12/47/658191247.db2.gz QYIBRHPCWZGGLB-LSDHHAIUSA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H](C)C2CN(CCCO)C2)C1 ZINC000969833691 658191251 /nfs/dbraw/zinc/19/12/51/658191251.db2.gz QYIBRHPCWZGGLB-LSDHHAIUSA-N 1 3 311.470 0.783 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892395122 658220556 /nfs/dbraw/zinc/22/05/56/658220556.db2.gz RVRARKPPQBDEPI-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998993964 665559707 /nfs/dbraw/zinc/55/97/07/665559707.db2.gz HUBYMGAKNILDTF-BCLQGDPASA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022710339 658346870 /nfs/dbraw/zinc/34/68/70/658346870.db2.gz FJDJLQWQJQZIGD-TYNCELHUSA-N 1 3 301.406 0.428 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001022712247 658352626 /nfs/dbraw/zinc/35/26/26/658352626.db2.gz NKNMQSPYHMKUJS-XQLPTFJDSA-N 1 3 322.453 0.328 20 0 DCADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC000970102985 658462639 /nfs/dbraw/zinc/46/26/39/658462639.db2.gz JGSPGNWXHGKNKW-CQSZACIVSA-N 1 3 316.409 0.602 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000892436000 658489738 /nfs/dbraw/zinc/48/97/38/658489738.db2.gz JQZUBEVCJYTPPK-RBSFLKMASA-N 1 3 312.458 0.650 20 0 DCADHO Cn1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC001024267105 658546451 /nfs/dbraw/zinc/54/64/51/658546451.db2.gz XPANYLGGOOTIJH-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020934502 658597710 /nfs/dbraw/zinc/59/77/10/658597710.db2.gz UQDNDYPEPIRJJZ-HAQNSBGRSA-N 1 3 321.450 0.679 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001039127505 658636153 /nfs/dbraw/zinc/63/61/53/658636153.db2.gz QKUFMLRUAVYWMF-GJZGRUSLSA-N 1 3 322.453 0.126 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001039127505 658636161 /nfs/dbraw/zinc/63/61/61/658636161.db2.gz QKUFMLRUAVYWMF-GJZGRUSLSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccnn1C ZINC000939546132 665601452 /nfs/dbraw/zinc/60/14/52/665601452.db2.gz QGDBACBXXSXXBK-UKRRQHHQSA-N 1 3 317.437 0.452 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001021090750 658751694 /nfs/dbraw/zinc/75/16/94/658751694.db2.gz JWXKVRSPQOXEJZ-KBUPBQIOSA-N 1 3 320.441 0.388 20 0 DCADHO COCC[NH+]1CCC(NC(=O)NCc2cc(N)ccn2)CC1 ZINC000891439964 658767191 /nfs/dbraw/zinc/76/71/91/658767191.db2.gz SDZWSGSUWFZMBL-UHFFFAOYSA-N 1 3 307.398 0.574 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC000970337171 658868830 /nfs/dbraw/zinc/86/88/30/658868830.db2.gz JWYJNGKMJPGLIP-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001022120548 658877056 /nfs/dbraw/zinc/87/70/56/658877056.db2.gz NLSHEHBCAQSLPU-QXSJWSMHSA-N 1 3 307.438 0.887 20 0 DCADHO CCC1([NH3+])CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000891514383 658902749 /nfs/dbraw/zinc/90/27/49/658902749.db2.gz QCLMCJYPAQUQAC-KGLIPLIRSA-N 1 3 310.442 0.763 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892599219 658965480 /nfs/dbraw/zinc/96/54/80/658965480.db2.gz QYKKWILXGIROEJ-QDMKHBRRSA-N 1 3 324.469 0.927 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CN[C@H]2CCNC2=O)CC1 ZINC001025067132 658989120 /nfs/dbraw/zinc/98/91/20/658989120.db2.gz LKZSREZJSKMKLW-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027215642 659086006 /nfs/dbraw/zinc/08/60/06/659086006.db2.gz KSHDXLAWJLUFHE-UONOGXRCSA-N 1 3 320.441 0.188 20 0 DCADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027215642 659086011 /nfs/dbraw/zinc/08/60/11/659086011.db2.gz KSHDXLAWJLUFHE-UONOGXRCSA-N 1 3 320.441 0.188 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027215906 659086956 /nfs/dbraw/zinc/08/69/56/659086956.db2.gz OIIOIVOOSWWEGT-ZIAGYGMSSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027215906 659086959 /nfs/dbraw/zinc/08/69/59/659086959.db2.gz OIIOIVOOSWWEGT-ZIAGYGMSSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027216874 659088223 /nfs/dbraw/zinc/08/82/23/659088223.db2.gz YOSPZNCXFNJVRJ-UONOGXRCSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027216874 659088231 /nfs/dbraw/zinc/08/82/31/659088231.db2.gz YOSPZNCXFNJVRJ-UONOGXRCSA-N 1 3 305.426 0.310 20 0 DCADHO CN1CCC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217903 659089670 /nfs/dbraw/zinc/08/96/70/659089670.db2.gz RWCIMONCYNHTSD-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCn2cccn2)C1 ZINC000999472675 665649260 /nfs/dbraw/zinc/64/92/60/665649260.db2.gz JDOHYMPIEREGAW-UHFFFAOYSA-N 1 3 302.382 0.428 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC000999497504 665650390 /nfs/dbraw/zinc/65/03/90/665650390.db2.gz QNILIOZLPPSLKD-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000973291705 659228100 /nfs/dbraw/zinc/22/81/00/659228100.db2.gz BHKPHCPASHROLU-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000973291705 659228104 /nfs/dbraw/zinc/22/81/04/659228104.db2.gz BHKPHCPASHROLU-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000236644057 659449384 /nfs/dbraw/zinc/44/93/84/659449384.db2.gz YPTMZJFLAXQQFR-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026727076 659481298 /nfs/dbraw/zinc/48/12/98/659481298.db2.gz JMXZKCHJNTZRSV-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001026733057 659489630 /nfs/dbraw/zinc/48/96/30/659489630.db2.gz HHWBRDLDAAPDDK-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001026733956 659490852 /nfs/dbraw/zinc/49/08/52/659490852.db2.gz KJIGHDPNCKBUPQ-HOCLYGCPSA-N 1 3 317.437 0.817 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001025778814 659554701 /nfs/dbraw/zinc/55/47/01/659554701.db2.gz FRMCWWVBYGVSKT-LJIZCISZSA-N 1 3 309.454 0.941 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001025778814 659554702 /nfs/dbraw/zinc/55/47/02/659554702.db2.gz FRMCWWVBYGVSKT-LJIZCISZSA-N 1 3 309.454 0.941 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001026884713 659623782 /nfs/dbraw/zinc/62/37/82/659623782.db2.gz BCKJOOTXBIRGHA-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]C[C@@H]2CCOC2)C1)C1CCC1 ZINC001026889258 659624827 /nfs/dbraw/zinc/62/48/27/659624827.db2.gz VBYLAJRFSYQQIA-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001026889964 659625208 /nfs/dbraw/zinc/62/52/08/659625208.db2.gz GCEVNANOCKQHPI-CYBMUJFWSA-N 1 3 320.441 0.238 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001026889361 659625318 /nfs/dbraw/zinc/62/53/18/659625318.db2.gz VPNWRKWRCVKLRI-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001026887175 659627789 /nfs/dbraw/zinc/62/77/89/659627789.db2.gz MAQFXOMTEXKJBO-DOMZBBRYSA-N 1 3 320.441 0.093 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC001026887481 659627808 /nfs/dbraw/zinc/62/78/08/659627808.db2.gz PTKYOALIBCRUHZ-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001026887183 659627865 /nfs/dbraw/zinc/62/78/65/659627865.db2.gz MAQFXOMTEXKJBO-WFASDCNBSA-N 1 3 320.441 0.093 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001026916162 659641408 /nfs/dbraw/zinc/64/14/08/659641408.db2.gz BZUNYOOJJZFEDN-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974824125 659683167 /nfs/dbraw/zinc/68/31/67/659683167.db2.gz GWEREVQYBBBSIR-DLOXAQCQSA-N 1 3 307.438 0.696 20 0 DCADHO CC[N@H+]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974824125 659683168 /nfs/dbraw/zinc/68/31/68/659683168.db2.gz GWEREVQYBBBSIR-DLOXAQCQSA-N 1 3 307.438 0.696 20 0 DCADHO Cc1nnsc1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999831765 665695203 /nfs/dbraw/zinc/69/52/03/665695203.db2.gz LLWGFILYPLSBCO-HIFPTAJRSA-N 1 3 323.466 0.877 20 0 DCADHO Cc1nnsc1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999831765 665695205 /nfs/dbraw/zinc/69/52/05/665695205.db2.gz LLWGFILYPLSBCO-HIFPTAJRSA-N 1 3 323.466 0.877 20 0 DCADHO Cc1nnsc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999831768 665695290 /nfs/dbraw/zinc/69/52/90/665695290.db2.gz LLWGFILYPLSBCO-PNESKVBLSA-N 1 3 323.466 0.877 20 0 DCADHO Cc1nnsc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999831768 665695292 /nfs/dbraw/zinc/69/52/92/665695292.db2.gz LLWGFILYPLSBCO-PNESKVBLSA-N 1 3 323.466 0.877 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001027042798 659728402 /nfs/dbraw/zinc/72/84/02/659728402.db2.gz NYRBIWJCETUPCU-DZGCQCFKSA-N 1 3 322.457 0.339 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](CNCc2ccn(C)n2)C1)[NH+](C)C ZINC001027042430 659728430 /nfs/dbraw/zinc/72/84/30/659728430.db2.gz FHQQHGVQJRCODQ-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001027042702 659728830 /nfs/dbraw/zinc/72/88/30/659728830.db2.gz LUNBWVPQWNNSCZ-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO COC[C@H](C)N1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977497874 659740256 /nfs/dbraw/zinc/74/02/56/659740256.db2.gz LNGQCMAHRIXNPR-KBPBESRZSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C)OC ZINC001026043431 659759268 /nfs/dbraw/zinc/75/92/68/659759268.db2.gz SMUGWMLEHHNWIG-NPCUJANDSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C)OC ZINC001026043431 659759270 /nfs/dbraw/zinc/75/92/70/659759270.db2.gz SMUGWMLEHHNWIG-NPCUJANDSA-N 1 3 309.454 0.942 20 0 DCADHO Cn1nc2c(c1CNCCC[N@@H+]1CCCN(C)CC1)COCC2 ZINC000921691471 665754339 /nfs/dbraw/zinc/75/43/39/665754339.db2.gz YNOXCHKQPFWMAT-UHFFFAOYSA-N 1 3 321.469 0.610 20 0 DCADHO Cn1nc2c(c1CNCCC[N@H+]1CCCN(C)CC1)COCC2 ZINC000921691471 665754340 /nfs/dbraw/zinc/75/43/40/665754340.db2.gz YNOXCHKQPFWMAT-UHFFFAOYSA-N 1 3 321.469 0.610 20 0 DCADHO CCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000927633661 661458545 /nfs/dbraw/zinc/45/85/45/661458545.db2.gz QAHBIPDHBYNDRY-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000927633661 661458546 /nfs/dbraw/zinc/45/85/46/661458546.db2.gz QAHBIPDHBYNDRY-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000924888729 661618798 /nfs/dbraw/zinc/61/87/98/661618798.db2.gz XOMHVJXCSJRTOG-KGLIPLIRSA-N 1 3 306.410 0.629 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894175301 661643194 /nfs/dbraw/zinc/64/31/94/661643194.db2.gz GAXXVTPPUFIALX-UPJWGTAASA-N 1 3 319.396 0.656 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894385946 661950240 /nfs/dbraw/zinc/95/02/40/661950240.db2.gz XTABMKRRCXOECH-OLZOCXBDSA-N 1 3 319.396 0.658 20 0 DCADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cnccn1 ZINC000894986442 662041423 /nfs/dbraw/zinc/04/14/23/662041423.db2.gz MYIRUSYNYMHKAX-HNNXBMFYSA-N 1 3 319.453 0.924 20 0 DCADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cn(C)c(=O)n(C)c1=O ZINC000895376797 662177831 /nfs/dbraw/zinc/17/78/31/662177831.db2.gz JSYVXKVQKAAMKI-HIFRSBDPSA-N 1 3 322.453 0.636 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000984802896 662318165 /nfs/dbraw/zinc/31/81/65/662318165.db2.gz FEECBHRLONYAMR-ZQDZILKHSA-N 1 3 322.453 0.234 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000985155327 662377496 /nfs/dbraw/zinc/37/74/96/662377496.db2.gz VRBOKXWXBPECBI-ZQDZILKHSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001000541596 665871826 /nfs/dbraw/zinc/87/18/26/665871826.db2.gz IESMPISZOGOALY-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985752343 662508757 /nfs/dbraw/zinc/50/87/57/662508757.db2.gz SAIVINFQMMRXFR-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985752343 662508760 /nfs/dbraw/zinc/50/87/60/662508760.db2.gz SAIVINFQMMRXFR-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985801194 662514791 /nfs/dbraw/zinc/51/47/91/662514791.db2.gz AVTHCTSHAUQHEX-AWEZNQCLSA-N 1 3 324.469 0.659 20 0 DCADHO C[C@@H]1[C@H](NCc2ccnn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986831794 662623214 /nfs/dbraw/zinc/62/32/14/662623214.db2.gz VXNJIKCNGKGRCE-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060689 662639750 /nfs/dbraw/zinc/63/97/50/662639750.db2.gz WAKOPBOWWUGBMR-GXTWGEPZSA-N 1 3 319.409 0.154 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987521353 662685390 /nfs/dbraw/zinc/68/53/90/662685390.db2.gz CQJKZHREFYBJCQ-ZBFHGGJFSA-N 1 3 319.453 0.903 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000688721 665909653 /nfs/dbraw/zinc/90/96/53/665909653.db2.gz MPOILYYPAPJZHJ-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000688721 665909654 /nfs/dbraw/zinc/90/96/54/665909654.db2.gz MPOILYYPAPJZHJ-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000989800759 662978297 /nfs/dbraw/zinc/97/82/97/662978297.db2.gz VTNPOHOJDYGUHN-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000927183992 663134159 /nfs/dbraw/zinc/13/41/59/663134159.db2.gz MPCPGGUKTSTYRP-AWEZNQCLSA-N 1 3 320.393 0.613 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)c1ccnn1CC[NH+](C)C ZINC000900578403 663256475 /nfs/dbraw/zinc/25/64/75/663256475.db2.gz LUDFGUPJKZKADA-AWEZNQCLSA-N 1 3 323.441 0.285 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N[C@@H](C)C(C)C)C2 ZINC000903490906 663457930 /nfs/dbraw/zinc/45/79/30/663457930.db2.gz MHDQFSGQRMQKMY-JFILPPLUSA-N 1 3 311.426 0.359 20 0 DCADHO O=C1NCCN1[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725812 663475211 /nfs/dbraw/zinc/47/52/11/663475211.db2.gz HWAOMTTWQZJQRL-GJZGRUSLSA-N 1 3 322.453 0.635 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903731631 663475939 /nfs/dbraw/zinc/47/59/39/663475939.db2.gz IODMYQJJTOKBQM-HUUCEWRRSA-N 1 3 324.469 0.372 20 0 DCADHO O=C1CCCN1[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903729383 663476101 /nfs/dbraw/zinc/47/61/01/663476101.db2.gz LZMYLNHWEWLZEM-BFYDXBDKSA-N 1 3 307.438 0.842 20 0 DCADHO C[C@@H]1CN(CCN(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903751378 663477338 /nfs/dbraw/zinc/47/73/38/663477338.db2.gz DPPSVDPUBHIXKV-YVSFHVDLSA-N 1 3 311.470 0.796 20 0 DCADHO CNC(=O)NC[C@@H]1CCCCN1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903777711 663483725 /nfs/dbraw/zinc/48/37/25/663483725.db2.gz CSPMIQDEXXZARL-SQWLQELKSA-N 1 3 310.442 0.539 20 0 DCADHO COCCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903811077 663486898 /nfs/dbraw/zinc/48/68/98/663486898.db2.gz JITPVVDDSYXZPE-HUUCEWRRSA-N 1 3 300.443 0.994 20 0 DCADHO COCCOC[C@H](O)C[N@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903811077 663486900 /nfs/dbraw/zinc/48/69/00/663486900.db2.gz JITPVVDDSYXZPE-HUUCEWRRSA-N 1 3 300.443 0.994 20 0 DCADHO COC(=O)C[C@H]1CCCN1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903894731 663493550 /nfs/dbraw/zinc/49/35/50/663493550.db2.gz CTCKLXNYUKJTDC-UKRRQHHQSA-N 1 3 308.426 0.873 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN[C@@H]2CNCCC2(F)F)cnn1C ZINC000903918628 663495524 /nfs/dbraw/zinc/49/55/24/663495524.db2.gz CZSRFJFUELOSIS-WCQYABFASA-N 1 3 301.385 0.433 20 0 DCADHO CC(C)(CNS(C)(=O)=O)NCc1cc2c(s1)CC[NH2+]C2 ZINC000903988697 663499798 /nfs/dbraw/zinc/49/97/98/663499798.db2.gz WWTSROKUGUJNTJ-UHFFFAOYSA-N 1 3 317.480 0.811 20 0 DCADHO O[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000905469167 663559639 /nfs/dbraw/zinc/55/96/39/663559639.db2.gz YTBZTLDBOXJLLG-NXOAAHMSSA-N 1 3 306.406 0.097 20 0 DCADHO O[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000905469167 663559641 /nfs/dbraw/zinc/55/96/41/663559641.db2.gz YTBZTLDBOXJLLG-NXOAAHMSSA-N 1 3 306.406 0.097 20 0 DCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N(C)C ZINC000906648312 663626929 /nfs/dbraw/zinc/62/69/29/663626929.db2.gz JGTYXKKGCPZKHI-NSHDSACASA-N 1 3 306.410 0.885 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000906720957 663635308 /nfs/dbraw/zinc/63/53/08/663635308.db2.gz FJELEQZRPIJVTP-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000909207262 663787250 /nfs/dbraw/zinc/78/72/50/663787250.db2.gz VHRJHXRQDHQMOU-AGUYFDCRSA-N 1 3 305.426 0.800 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000909207262 663787251 /nfs/dbraw/zinc/78/72/51/663787251.db2.gz VHRJHXRQDHQMOU-AGUYFDCRSA-N 1 3 305.426 0.800 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000910946468 663961091 /nfs/dbraw/zinc/96/10/91/663961091.db2.gz MOBYOGIJLITYKI-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911053837 663972567 /nfs/dbraw/zinc/97/25/67/663972567.db2.gz CYSZHKVEZCDXRQ-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911056728 663973424 /nfs/dbraw/zinc/97/34/24/663973424.db2.gz ZTYXKWFALPKJHR-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911207318 664005053 /nfs/dbraw/zinc/00/50/53/664005053.db2.gz HQPNUBKQEHRARD-KFWWJZLASA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911212425 664005834 /nfs/dbraw/zinc/00/58/34/664005834.db2.gz YQDDALRREASHMK-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324458 664028022 /nfs/dbraw/zinc/02/80/22/664028022.db2.gz CZCDFURJWULIMQ-IHRRRGAJSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911333372 664029748 /nfs/dbraw/zinc/02/97/48/664029748.db2.gz RXBGBAPWEGKRQG-IHRRRGAJSA-N 1 3 310.442 0.077 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911440987 664052715 /nfs/dbraw/zinc/05/27/15/664052715.db2.gz OZJNCZQYCMHLGN-JJRVBVJISA-N 1 3 322.453 0.235 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911519005 664073894 /nfs/dbraw/zinc/07/38/94/664073894.db2.gz DVCKBRJDXVWLFK-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000911557569 664078968 /nfs/dbraw/zinc/07/89/68/664078968.db2.gz OYFNDTGVBAHSTF-AAVRWANBSA-N 1 3 310.442 0.077 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564985 664082803 /nfs/dbraw/zinc/08/28/03/664082803.db2.gz XNXBDTAGCKIFJN-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NC3CC[NH2+]CC3)ccc2NC1=O ZINC000911629509 664093729 /nfs/dbraw/zinc/09/37/29/664093729.db2.gz WLEURJDFDXLBQI-CYBMUJFWSA-N 1 3 302.378 0.380 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)C[C@@H](C)N1 ZINC000911798639 664110840 /nfs/dbraw/zinc/11/08/40/664110840.db2.gz VTURUYCOZRDRDA-JTNHKYCSSA-N 1 3 316.405 0.721 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912373650 664167512 /nfs/dbraw/zinc/16/75/12/664167512.db2.gz FWEMNPOHBVLYDC-INIZCTEOSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)C(=O)CN1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000992109304 664663086 /nfs/dbraw/zinc/66/30/86/664663086.db2.gz DRVIUUNRCAINGG-KEYYUXOJSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000992109304 664663087 /nfs/dbraw/zinc/66/30/87/664663087.db2.gz DRVIUUNRCAINGG-KEYYUXOJSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000992109304 664663088 /nfs/dbraw/zinc/66/30/88/664663088.db2.gz DRVIUUNRCAINGG-KEYYUXOJSA-N 1 3 322.453 0.282 20 0 DCADHO O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000261545402 665402574 /nfs/dbraw/zinc/40/25/74/665402574.db2.gz JWCAQVAWCMGRER-JKSUJKDBSA-N 1 3 303.406 0.756 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCC2=CCN(CCO)CC2)CC1 ZINC001001325393 666035614 /nfs/dbraw/zinc/03/56/14/666035614.db2.gz SAVYGEKYNSAIDJ-UHFFFAOYSA-N 1 3 309.454 0.847 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001001353914 666039416 /nfs/dbraw/zinc/03/94/16/666039416.db2.gz MWNBEFUVMZRHTK-UHFFFAOYSA-N 1 3 321.465 0.849 20 0 DCADHO C[C@@H](O)CN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858373 666068994 /nfs/dbraw/zinc/06/89/94/666068994.db2.gz OLEZKUDFUVJHAQ-CZUORRHYSA-N 1 3 305.422 0.933 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001001980132 666119620 /nfs/dbraw/zinc/11/96/20/666119620.db2.gz VALLJMDZKVANRW-HUUCEWRRSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001001980132 666119622 /nfs/dbraw/zinc/11/96/22/666119622.db2.gz VALLJMDZKVANRW-HUUCEWRRSA-N 1 3 324.469 0.099 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NCC2CN(CCCO)C2)cc1 ZINC001032052780 666226281 /nfs/dbraw/zinc/22/62/81/666226281.db2.gz AEDPHJFGOACKOJ-UHFFFAOYSA-N 1 3 305.422 0.792 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCOCCO ZINC000922110112 666253990 /nfs/dbraw/zinc/25/39/90/666253990.db2.gz WUKGPHZDEPZGFM-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCOCCO ZINC000922110112 666253992 /nfs/dbraw/zinc/25/39/92/666253992.db2.gz WUKGPHZDEPZGFM-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003332435 666295608 /nfs/dbraw/zinc/29/56/08/666295608.db2.gz LXUDPZRVCXTINE-GNHJJJEISA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276572 666658630 /nfs/dbraw/zinc/65/86/30/666658630.db2.gz DBAUXZFRDSIYCJ-GYMHETDLSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276572 666658633 /nfs/dbraw/zinc/65/86/33/666658633.db2.gz DBAUXZFRDSIYCJ-GYMHETDLSA-N 1 3 307.438 0.791 20 0 DCADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033279196 666659807 /nfs/dbraw/zinc/65/98/07/666659807.db2.gz UFIDTJWWVIJWLT-LPMVOBIJSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033279196 666659808 /nfs/dbraw/zinc/65/98/08/666659808.db2.gz UFIDTJWWVIJWLT-LPMVOBIJSA-N 1 3 319.449 0.792 20 0 DCADHO C[C@H]([NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C)C(N)=O ZINC000995916586 666721850 /nfs/dbraw/zinc/72/18/50/666721850.db2.gz IXZGLXGUWDHPKB-AAEUAGOBSA-N 1 3 310.442 0.171 20 0 DCADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCn1cncn1 ZINC000996355554 666776438 /nfs/dbraw/zinc/77/64/38/666776438.db2.gz MYENLSBXXBDLHJ-ZDUSSCGKSA-N 1 3 317.397 0.071 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996379413 666778788 /nfs/dbraw/zinc/77/87/88/666778788.db2.gz LYQZNLADVGEXFN-KGLIPLIRSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996379413 666778789 /nfs/dbraw/zinc/77/87/89/666778789.db2.gz LYQZNLADVGEXFN-KGLIPLIRSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)CCC1 ZINC000996668426 666852373 /nfs/dbraw/zinc/85/23/73/666852373.db2.gz DAEKHWSTYAGBDM-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C)C(N)=O ZINC000996673196 666854607 /nfs/dbraw/zinc/85/46/07/666854607.db2.gz SCRMNAZVRSMQIK-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1)C1CC1 ZINC000996680020 666858760 /nfs/dbraw/zinc/85/87/60/666858760.db2.gz RZJWVHBFGJRLCO-INIZCTEOSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CC1 ZINC000861712148 666962169 /nfs/dbraw/zinc/96/21/69/666962169.db2.gz KCAHSBJOJIMTJE-HZPDHXFCSA-N 1 3 309.454 0.774 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000997003592 667071812 /nfs/dbraw/zinc/07/18/12/667071812.db2.gz CKRCESPICQQYEK-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)N(C)C ZINC000997015274 667075559 /nfs/dbraw/zinc/07/55/59/667075559.db2.gz OFDFIBVTZJMRMG-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034643476 667089523 /nfs/dbraw/zinc/08/95/23/667089523.db2.gz WCLJCUXRMUHYNZ-TUVASFSCSA-N 1 3 324.469 0.750 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034734931 667128493 /nfs/dbraw/zinc/12/84/93/667128493.db2.gz CICIZYNFVUFSJU-ZQDZILKHSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNCc1cnnn1C)[NH+](C)C ZINC001034964414 667204502 /nfs/dbraw/zinc/20/45/02/667204502.db2.gz LXRQXEQHRGWRRZ-HIFRSBDPSA-N 1 3 322.457 0.482 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997181976 667209443 /nfs/dbraw/zinc/20/94/43/667209443.db2.gz FIBWQAFYHRYXTQ-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997181976 667209444 /nfs/dbraw/zinc/20/94/44/667209444.db2.gz FIBWQAFYHRYXTQ-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035228457 667272602 /nfs/dbraw/zinc/27/26/02/667272602.db2.gz PWWDIGVQSFUVSL-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035228457 667272606 /nfs/dbraw/zinc/27/26/06/667272606.db2.gz PWWDIGVQSFUVSL-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC000925342925 667318788 /nfs/dbraw/zinc/31/87/88/667318788.db2.gz JOGRSIZWXXXUCO-FXUDXRNXSA-N 1 3 324.469 0.974 20 0 DCADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC2(CN(CCO)C2)CC1 ZINC001035755071 667406974 /nfs/dbraw/zinc/40/69/74/667406974.db2.gz IMSJFJMAMHFDEF-MRXNPFEDSA-N 1 3 321.465 0.778 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035834048 667413683 /nfs/dbraw/zinc/41/36/83/667413683.db2.gz GVSRJHWEWCLUAF-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035834048 667413684 /nfs/dbraw/zinc/41/36/84/667413684.db2.gz GVSRJHWEWCLUAF-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035858434 667414805 /nfs/dbraw/zinc/41/48/05/667414805.db2.gz IAFCBRNOZFWJPN-GASCZTMLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035858434 667414806 /nfs/dbraw/zinc/41/48/06/667414806.db2.gz IAFCBRNOZFWJPN-GASCZTMLSA-N 1 3 309.454 0.776 20 0 DCADHO COCC[C@@H]([NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000884196385 667495934 /nfs/dbraw/zinc/49/59/34/667495934.db2.gz PPBMBNOXVRXCGE-HZSPNIEDSA-N 1 3 301.431 0.356 20 0 DCADHO N[C@H](CC1CC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280108 667514641 /nfs/dbraw/zinc/51/46/41/667514641.db2.gz BKCORUYMATVZGC-MNOVXSKESA-N 1 3 308.348 0.066 20 0 DCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000884471019 667550361 /nfs/dbraw/zinc/55/03/61/667550361.db2.gz JIRPWYWOODUIMB-INIZCTEOSA-N 1 3 310.486 0.859 20 0 DCADHO COC(=O)[C@@H]1CCN(CCOCC[NH3+])[C@@H]([C@@H]2CCCO2)C1 ZINC000923554306 667560291 /nfs/dbraw/zinc/56/02/91/667560291.db2.gz MRUGKNJRXOLVNL-MCIONIFRSA-N 1 3 300.399 0.394 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868363255 667560557 /nfs/dbraw/zinc/56/05/57/667560557.db2.gz HWUIGEFHBVFXFJ-ZBFHGGJFSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868363255 667560558 /nfs/dbraw/zinc/56/05/58/667560558.db2.gz HWUIGEFHBVFXFJ-ZBFHGGJFSA-N 1 3 324.469 0.833 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CCC1(C)C ZINC000868403903 667566532 /nfs/dbraw/zinc/56/65/32/667566532.db2.gz AUHXTHCZDBMIIV-CQSZACIVSA-N 1 3 324.469 0.659 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@@H]1C[NH3+] ZINC000868403937 667566708 /nfs/dbraw/zinc/56/67/08/667566708.db2.gz BDIFRCKSHHCXLO-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CCC1(C)C ZINC000868405571 667567288 /nfs/dbraw/zinc/56/72/88/667567288.db2.gz JEKHTCLSPZDYSQ-UHFFFAOYSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884578252 667569934 /nfs/dbraw/zinc/56/99/34/667569934.db2.gz WLUAEYCESARRON-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000884664308 667584664 /nfs/dbraw/zinc/58/46/64/667584664.db2.gz HZIDSIDWOQMNJE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCC1(C)C ZINC000884723930 667600660 /nfs/dbraw/zinc/60/06/60/667600660.db2.gz DETIVFSRJAGSIJ-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966465 667629231 /nfs/dbraw/zinc/62/92/31/667629231.db2.gz LTDPECYYNJGZCL-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923610482 667656148 /nfs/dbraw/zinc/65/61/48/667656148.db2.gz GGVPPLPYTUHJBY-KGLIPLIRSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923610482 667656150 /nfs/dbraw/zinc/65/61/50/667656150.db2.gz GGVPPLPYTUHJBY-KGLIPLIRSA-N 1 3 315.483 0.874 20 0 DCADHO CN1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923610795 667656796 /nfs/dbraw/zinc/65/67/96/667656796.db2.gz YAQLXYYAXNUANO-MJBXVCDLSA-N 1 3 301.456 0.627 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000838301511 667685161 /nfs/dbraw/zinc/68/51/61/667685161.db2.gz FAKIDJLCIYHPPD-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000838301511 667685162 /nfs/dbraw/zinc/68/51/62/667685162.db2.gz FAKIDJLCIYHPPD-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1noc(C)n1 ZINC000123256100 667751930 /nfs/dbraw/zinc/75/19/30/667751930.db2.gz AQDZTGHNCIGVEW-CYBMUJFWSA-N 1 3 309.414 0.866 20 0 DCADHO CN(CCCCCC[NH3+])CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000872155089 667870580 /nfs/dbraw/zinc/87/05/80/667870580.db2.gz BYSVWRPSYCRGGJ-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO O=C1OC[C@]2(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)COCCN12 ZINC000873248389 668068294 /nfs/dbraw/zinc/06/82/94/668068294.db2.gz DYFCEVDVGHQDIY-KQTLUZQSSA-N 1 3 309.410 0.718 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001691479479 1157798484 /nfs/dbraw/zinc/79/84/84/1157798484.db2.gz TZNQMVLXEMDCFM-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000874826811 668222757 /nfs/dbraw/zinc/22/27/57/668222757.db2.gz PWWOLPQMEPAOKY-CABCVRRESA-N 1 3 305.426 0.753 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000924879793 668246663 /nfs/dbraw/zinc/24/66/63/668246663.db2.gz WWVXTMOSPARWMZ-YIONKMFJSA-N 1 3 315.483 0.588 20 0 DCADHO CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCN2C)C[C@@H]1CC ZINC000925408441 668311304 /nfs/dbraw/zinc/31/13/04/668311304.db2.gz ZBDIFAPENUPRCO-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CCN2C)C[C@@H]1CC ZINC000925408441 668311311 /nfs/dbraw/zinc/31/13/11/668311311.db2.gz ZBDIFAPENUPRCO-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CN1CCN(Cc2ccc(CN[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925484079 668324435 /nfs/dbraw/zinc/32/44/35/668324435.db2.gz CDCYOYAXMQRNIJ-GOSISDBHSA-N 1 3 318.465 0.512 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000926319917 668393971 /nfs/dbraw/zinc/39/39/71/668393971.db2.gz JSVXHRXIIDZXIM-GJZGRUSLSA-N 1 3 324.469 0.372 20 0 DCADHO CCO[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)C[NH+](C)C ZINC000926834150 668433996 /nfs/dbraw/zinc/43/39/96/668433996.db2.gz FFSBDABKJIZEFU-LSDHHAIUSA-N 1 3 312.458 0.831 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927293725 668459930 /nfs/dbraw/zinc/45/99/30/668459930.db2.gz KOJQYDGMKDCDJC-PREGVCBESA-N 1 3 324.469 0.759 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927639935 668490450 /nfs/dbraw/zinc/49/04/50/668490450.db2.gz CWKTYUPGJLQBKO-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876782441 668510295 /nfs/dbraw/zinc/51/02/95/668510295.db2.gz RCLHTTWJYAZGFQ-ILXRZTDVSA-N 1 3 310.486 0.750 20 0 DCADHO CN1CCN(Cc2cccc(NC(=O)[C@@H](N)C[NH+](C)C)c2)CC1 ZINC000876782436 668510470 /nfs/dbraw/zinc/51/04/70/668510470.db2.gz QVXZPHGAUSIJPA-INIZCTEOSA-N 1 3 319.453 0.261 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c2)nn1 ZINC000877207335 668576548 /nfs/dbraw/zinc/57/65/48/668576548.db2.gz SMEUOBIXTMPKLW-CYBMUJFWSA-N 1 3 314.393 0.342 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877384162 668613421 /nfs/dbraw/zinc/61/34/21/668613421.db2.gz DMKUXPOGCFENJK-LZLYRXPVSA-N 1 3 316.449 0.847 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000877450450 668619874 /nfs/dbraw/zinc/61/98/74/668619874.db2.gz BBAUQFXABNLRMR-IACUBPJLSA-N 1 3 303.410 0.795 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000877621887 668633645 /nfs/dbraw/zinc/63/36/45/668633645.db2.gz XXXOPZYCTPFTMM-AWEZNQCLSA-N 1 3 311.426 0.795 20 0 DCADHO O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C[C@@]1(O)CCOC1 ZINC000930061211 668950614 /nfs/dbraw/zinc/95/06/14/668950614.db2.gz PCTQMGHCSWFJLI-OWLYRPNTSA-N 1 3 324.465 0.838 20 0 DCADHO O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C[C@@]1(O)CCOC1 ZINC000930061211 668950617 /nfs/dbraw/zinc/95/06/17/668950617.db2.gz PCTQMGHCSWFJLI-OWLYRPNTSA-N 1 3 324.465 0.838 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000932474402 669370197 /nfs/dbraw/zinc/37/01/97/669370197.db2.gz IEVJBCWUWFULEG-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000932474402 669370203 /nfs/dbraw/zinc/37/02/03/669370203.db2.gz IEVJBCWUWFULEG-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000932681525 669402257 /nfs/dbraw/zinc/40/22/57/669402257.db2.gz FDXTTXXIAQQSLJ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C[C@H]3CO)CC2)CC1 ZINC000883248861 669664233 /nfs/dbraw/zinc/66/42/33/669664233.db2.gz JEEKZYIQXGHORS-INIZCTEOSA-N 1 3 322.453 0.487 20 0 DCADHO CS[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1N(C)C ZINC000935111761 669681603 /nfs/dbraw/zinc/68/16/03/669681603.db2.gz RZWKJIYWXRYMNP-ZIAGYGMSSA-N 1 3 315.483 0.601 20 0 DCADHO CS[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1N(C)C ZINC000935111760 669682100 /nfs/dbraw/zinc/68/21/00/669682100.db2.gz RZWKJIYWXRYMNP-UONOGXRCSA-N 1 3 315.483 0.601 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000883647506 669724622 /nfs/dbraw/zinc/72/46/22/669724622.db2.gz WIPGAJQYGURTNT-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCO)C1)C1CCC1 ZINC001036736837 670167735 /nfs/dbraw/zinc/16/77/35/670167735.db2.gz HMYLGGUSZWODOZ-HOCLYGCPSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCO)C1)C1CCC1 ZINC001036736837 670167733 /nfs/dbraw/zinc/16/77/33/670167733.db2.gz HMYLGGUSZWODOZ-HOCLYGCPSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccnn1C ZINC000853993277 670513897 /nfs/dbraw/zinc/51/38/97/670513897.db2.gz PABSWGDWBHGRBM-AWEZNQCLSA-N 1 3 324.473 0.534 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccnn1C ZINC000853993277 670513898 /nfs/dbraw/zinc/51/38/98/670513898.db2.gz PABSWGDWBHGRBM-AWEZNQCLSA-N 1 3 324.473 0.534 20 0 DCADHO [NH3+]CCc1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000848602783 670702749 /nfs/dbraw/zinc/70/27/49/670702749.db2.gz FQEOXYBMKKMAHM-JKSUJKDBSA-N 1 3 318.421 0.148 20 0 DCADHO CN(C)C(=O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848981971 670744742 /nfs/dbraw/zinc/74/47/42/670744742.db2.gz BAMCBXIUNDBXJW-UHFFFAOYSA-N 1 3 317.437 0.853 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)nc1 ZINC000849012084 670749544 /nfs/dbraw/zinc/74/95/44/670749544.db2.gz HQQALCRHIIVXEI-LBPRGKRZSA-N 1 3 304.398 0.279 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccnc(CO)c2)CC1 ZINC000858455633 671006331 /nfs/dbraw/zinc/00/63/31/671006331.db2.gz QNDAITLWAHTTMS-HNNXBMFYSA-N 1 3 304.394 0.492 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccnc(CO)c2)CC1 ZINC000858455633 671006333 /nfs/dbraw/zinc/00/63/33/671006333.db2.gz QNDAITLWAHTTMS-HNNXBMFYSA-N 1 3 304.394 0.492 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)C2 ZINC000852107925 671088591 /nfs/dbraw/zinc/08/85/91/671088591.db2.gz RSOHVJIVORPUTM-MSOLQXFVSA-N 1 3 317.433 0.777 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@](O)(C(N)=O)c1ccccc1)C2 ZINC000852107925 671088594 /nfs/dbraw/zinc/08/85/94/671088594.db2.gz RSOHVJIVORPUTM-MSOLQXFVSA-N 1 3 317.433 0.777 20 0 DCADHO CN(C[C@H](O)C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000819062209 671091258 /nfs/dbraw/zinc/09/12/58/671091258.db2.gz OPBWCTMDOAGBHT-SJORKVTESA-N 1 3 311.470 0.675 20 0 DCADHO O=C(CO[C@H]1CCC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000852915775 671194519 /nfs/dbraw/zinc/19/45/19/671194519.db2.gz LPFMJRBZTZTQHX-CABCVRRESA-N 1 3 311.426 0.125 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000827936481 671540093 /nfs/dbraw/zinc/54/00/93/671540093.db2.gz LBYKDLDXTOZPSM-RWMBFGLXSA-N 1 3 319.409 0.080 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000828283443 671549415 /nfs/dbraw/zinc/54/94/15/671549415.db2.gz HMOOTXMHWWQRAN-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000831180427 671657651 /nfs/dbraw/zinc/65/76/51/671657651.db2.gz OIRQUNBYSSIQFU-MJBXVCDLSA-N 1 3 308.426 0.291 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000841791439 671955976 /nfs/dbraw/zinc/95/59/76/671955976.db2.gz WVBTXENXFPDCHW-ZNMIVQPWSA-N 1 3 310.442 0.620 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841791526 671956454 /nfs/dbraw/zinc/95/64/54/671956454.db2.gz YWSUIHHTCNMBIW-TUAOUCFPSA-N 1 3 318.368 0.146 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N1CCCCC1 ZINC000842014218 671973979 /nfs/dbraw/zinc/97/39/79/671973979.db2.gz ACEFMNOZRLPRFB-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000842014600 671974252 /nfs/dbraw/zinc/97/42/52/671974252.db2.gz CVBIOORGQPGQAW-YOEHRIQHSA-N 1 3 322.453 0.189 20 0 DCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000843490594 672103836 /nfs/dbraw/zinc/10/38/36/672103836.db2.gz KSZNDISOUNEANS-BXUZGUMPSA-N 1 3 303.410 0.612 20 0 DCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000843490594 672103839 /nfs/dbraw/zinc/10/38/39/672103839.db2.gz KSZNDISOUNEANS-BXUZGUMPSA-N 1 3 303.410 0.612 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001691619166 1158359423 /nfs/dbraw/zinc/35/94/23/1158359423.db2.gz FBIJOKNRLTVVLC-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CN1CCC(O)(C[NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000397516534 685272714 /nfs/dbraw/zinc/27/27/14/685272714.db2.gz SGJQBMFONBDJAZ-UHFFFAOYSA-N 1 3 307.394 0.097 20 0 DCADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037926666 693968717 /nfs/dbraw/zinc/96/87/17/693968717.db2.gz OSZBXUOUPQUGDW-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000955338829 686371102 /nfs/dbraw/zinc/37/11/02/686371102.db2.gz MPGJYRPJGVVEAV-KGLIPLIRSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955338829 686371112 /nfs/dbraw/zinc/37/11/12/686371112.db2.gz MPGJYRPJGVVEAV-KGLIPLIRSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)CN1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038260463 694029011 /nfs/dbraw/zinc/02/90/11/694029011.db2.gz QWDXBGHYWSHUOM-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC000960022650 688282941 /nfs/dbraw/zinc/28/29/41/688282941.db2.gz OIEWLRCABNJEBG-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N1CCCCCC1 ZINC000961961839 688777876 /nfs/dbraw/zinc/77/78/76/688777876.db2.gz SGNMHCVEZHTEDF-CAOSSQGBSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1CCCCCC1 ZINC000961961839 688777881 /nfs/dbraw/zinc/77/78/81/688777881.db2.gz SGNMHCVEZHTEDF-CAOSSQGBSA-N 1 3 309.454 0.680 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038932633 694245712 /nfs/dbraw/zinc/24/57/12/694245712.db2.gz AGQJTEBPPVSKSV-OLZOCXBDSA-N 1 3 306.410 0.987 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038932633 694245717 /nfs/dbraw/zinc/24/57/17/694245717.db2.gz AGQJTEBPPVSKSV-OLZOCXBDSA-N 1 3 306.410 0.987 20 0 DCADHO Cc1nocc1CNCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000962703033 688968180 /nfs/dbraw/zinc/96/81/80/688968180.db2.gz OUOYMZZKAHXYST-OWYJLGKBSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CNCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000962703033 688968183 /nfs/dbraw/zinc/96/81/83/688968183.db2.gz OUOYMZZKAHXYST-OWYJLGKBSA-N 1 3 306.410 0.919 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)c1 ZINC000962729555 688972569 /nfs/dbraw/zinc/97/25/69/688972569.db2.gz GEXPYBDPJDKNGO-FVQHAEBGSA-N 1 3 317.433 0.791 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)c1 ZINC000962729555 688972571 /nfs/dbraw/zinc/97/25/71/688972571.db2.gz GEXPYBDPJDKNGO-FVQHAEBGSA-N 1 3 317.433 0.791 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c1 ZINC000962729570 688972593 /nfs/dbraw/zinc/97/25/93/688972593.db2.gz GGVGBHIJSBJZIS-ZSHCYNCHSA-N 1 3 303.406 0.401 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)c1 ZINC000962729570 688972595 /nfs/dbraw/zinc/97/25/95/688972595.db2.gz GGVGBHIJSBJZIS-ZSHCYNCHSA-N 1 3 303.406 0.401 20 0 DCADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1)C(N)=O ZINC001039301056 694336047 /nfs/dbraw/zinc/33/60/47/694336047.db2.gz DANOIMJHZILWQT-CRMUJIHISA-N 1 3 319.409 0.328 20 0 DCADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000967980356 690141863 /nfs/dbraw/zinc/14/18/63/690141863.db2.gz UJJAMTSGSPOYHD-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000967980356 690141867 /nfs/dbraw/zinc/14/18/67/690141867.db2.gz UJJAMTSGSPOYHD-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000968644993 690353341 /nfs/dbraw/zinc/35/33/41/690353341.db2.gz JGGCVGHKNWRAJC-GDBMZVCRSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000968644993 690353344 /nfs/dbraw/zinc/35/33/44/690353344.db2.gz JGGCVGHKNWRAJC-GDBMZVCRSA-N 1 3 319.453 0.983 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000968851684 690406390 /nfs/dbraw/zinc/40/63/90/690406390.db2.gz WESJJYKRNGNLBM-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000968851684 690406393 /nfs/dbraw/zinc/40/63/93/690406393.db2.gz WESJJYKRNGNLBM-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1)C1CCC1 ZINC000968921631 690424384 /nfs/dbraw/zinc/42/43/84/690424384.db2.gz CBOVDZAYGWQXQI-OAHLLOKOSA-N 1 3 319.453 0.637 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1)C1CCC1 ZINC000968921845 690425263 /nfs/dbraw/zinc/42/52/63/690425263.db2.gz LCSYOCBDVSIKKZ-CQSZACIVSA-N 1 3 319.453 0.637 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2ccnn2C)C1)[NH+](C)C ZINC000968996931 690447316 /nfs/dbraw/zinc/44/73/16/690447316.db2.gz SGMWYLCRTPJFPP-HIFRSBDPSA-N 1 3 307.442 0.697 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC000969066112 690462259 /nfs/dbraw/zinc/46/22/59/690462259.db2.gz JCBCENPBEKWIIS-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC000969077129 690464807 /nfs/dbraw/zinc/46/48/07/690464807.db2.gz LCABXPJJTKRFKM-RBSFLKMASA-N 1 3 324.469 0.526 20 0 DCADHO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)cn1 ZINC000969099376 690469774 /nfs/dbraw/zinc/46/97/74/690469774.db2.gz OIOYAIDMJSKMMP-HUUCEWRRSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000969100079 690470054 /nfs/dbraw/zinc/47/00/54/690470054.db2.gz WXEUVUAPLUOBJU-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H](O)CN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015390418 692283795 /nfs/dbraw/zinc/28/37/95/692283795.db2.gz CRAVHXQLUNMCRW-GOEBONIOSA-N 1 3 319.449 0.976 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016652573 692740388 /nfs/dbraw/zinc/74/03/88/692740388.db2.gz UOAMTWYNUGHWFA-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2)N1CCCC1 ZINC001016762249 692764554 /nfs/dbraw/zinc/76/45/54/692764554.db2.gz XOKNJWDNRDXFCC-CQSZACIVSA-N 1 3 309.454 0.824 20 0 DCADHO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018633982 693170562 /nfs/dbraw/zinc/17/05/62/693170562.db2.gz DNXZCCXXYLJCBL-DZGCQCFKSA-N 1 3 305.426 0.247 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(CC)c2)C1)N(C)C ZINC001019032444 693330624 /nfs/dbraw/zinc/33/06/24/693330624.db2.gz XODNLPJRVFKPMD-JKSUJKDBSA-N 1 3 321.469 0.976 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001019231969 693400523 /nfs/dbraw/zinc/40/05/23/693400523.db2.gz BVTRMXPLJKREMP-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019323092 693432620 /nfs/dbraw/zinc/43/26/20/693432620.db2.gz YHSJVWIVPBXFNM-AWEZNQCLSA-N 1 3 305.426 0.452 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001019394634 693461069 /nfs/dbraw/zinc/46/10/69/693461069.db2.gz LCABXPJJTKRFKM-KKUMJFAQSA-N 1 3 324.469 0.526 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC001019438377 693473866 /nfs/dbraw/zinc/47/38/66/693473866.db2.gz LALRZUSVLITLOW-ZDUSSCGKSA-N 1 3 317.397 0.051 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001019438659 693474734 /nfs/dbraw/zinc/47/47/34/693474734.db2.gz QYMHCTPFQMBVKQ-STQMWFEESA-N 1 3 319.409 0.059 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001020179081 693724692 /nfs/dbraw/zinc/72/46/92/693724692.db2.gz NLSHEHBCAQSLPU-YHUYYLMFSA-N 1 3 307.438 0.887 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001072679225 694651518 /nfs/dbraw/zinc/65/15/18/694651518.db2.gz FXLHDEXCXPKAOS-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001072800836 694666949 /nfs/dbraw/zinc/66/69/49/694666949.db2.gz GBQZWIHFIZFOCZ-GXTWGEPZSA-N 1 3 321.425 0.257 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072815076 694669576 /nfs/dbraw/zinc/66/95/76/694669576.db2.gz RJVYTDFIBYIZMB-ZFWWWQNUSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072815076 694669577 /nfs/dbraw/zinc/66/95/77/694669577.db2.gz RJVYTDFIBYIZMB-ZFWWWQNUSA-N 1 3 309.454 0.896 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074826193 694925666 /nfs/dbraw/zinc/92/56/66/694925666.db2.gz YXDZJUFSNONXLN-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074826193 694925667 /nfs/dbraw/zinc/92/56/67/694925667.db2.gz YXDZJUFSNONXLN-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001074877368 694927856 /nfs/dbraw/zinc/92/78/56/694927856.db2.gz ASJVSGVODCPIJZ-IPYPFGDCSA-N 1 3 320.441 0.378 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001074877368 694927857 /nfs/dbraw/zinc/92/78/57/694927857.db2.gz ASJVSGVODCPIJZ-IPYPFGDCSA-N 1 3 320.441 0.378 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001074877839 694928218 /nfs/dbraw/zinc/92/82/18/694928218.db2.gz OUQSJFZGGIXLGK-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C)C(N)=O ZINC001074993559 694933848 /nfs/dbraw/zinc/93/38/48/694933848.db2.gz MFKJQURFVSSMMV-IHRRRGAJSA-N 1 3 310.442 0.171 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075107229 694938478 /nfs/dbraw/zinc/93/84/78/694938478.db2.gz WNWWVBZFAGLUNE-UHTWSYAYSA-N 1 3 306.414 0.144 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075107229 694938479 /nfs/dbraw/zinc/93/84/79/694938479.db2.gz WNWWVBZFAGLUNE-UHTWSYAYSA-N 1 3 306.414 0.144 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106733 694938569 /nfs/dbraw/zinc/93/85/69/694938569.db2.gz KRMFDRKZSWVNMF-DZKIICNBSA-N 1 3 319.453 0.759 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075106733 694938570 /nfs/dbraw/zinc/93/85/70/694938570.db2.gz KRMFDRKZSWVNMF-DZKIICNBSA-N 1 3 319.453 0.759 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001571465861 1162770678 /nfs/dbraw/zinc/77/06/78/1162770678.db2.gz MGJTUKDBBJTAAA-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCF ZINC001571597764 1162841926 /nfs/dbraw/zinc/84/19/26/1162841926.db2.gz TUPCEHZFJOWALT-KBPBESRZSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH2+][C@H]1CCCNC1=O ZINC001755526491 1158162621 /nfs/dbraw/zinc/16/26/21/1158162621.db2.gz JDQCEILCGULHKN-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001648976908 1158264599 /nfs/dbraw/zinc/26/45/99/1158264599.db2.gz YMDDYBVNPPDMQU-HOTGVXAUSA-N 1 3 322.497 0.908 20 0 DCADHO [NH3+]C12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCOC4(CNC4)C1)(C3)C2 ZINC001649036821 1158594778 /nfs/dbraw/zinc/59/47/78/1158594778.db2.gz MFLARIOYELQKQP-YPXDRJKUSA-N 1 3 305.422 0.485 20 0 DCADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001649157228 1158834936 /nfs/dbraw/zinc/83/49/36/1158834936.db2.gz LWOUTMJUZRVOBC-YVSFHVDLSA-N 1 3 321.465 0.680 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CC3(C)COC3)C[C@H]2CC1 ZINC001276415652 1159090394 /nfs/dbraw/zinc/09/03/94/1159090394.db2.gz NSQWHBWLGQCBRO-GASCZTMLSA-N 1 3 309.454 0.755 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CC3(C)COC3)C[C@H]2CC1 ZINC001276415652 1159090404 /nfs/dbraw/zinc/09/04/04/1159090404.db2.gz NSQWHBWLGQCBRO-GASCZTMLSA-N 1 3 309.454 0.755 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001436796223 1159273444 /nfs/dbraw/zinc/27/34/44/1159273444.db2.gz RRMMTEAYMDOBHX-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001446670823 1159499033 /nfs/dbraw/zinc/49/90/33/1159499033.db2.gz PBBPXVMNOZSYEQ-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001446670823 1159499035 /nfs/dbraw/zinc/49/90/35/1159499035.db2.gz PBBPXVMNOZSYEQ-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCN(C)C(=O)CC[NH+](C)C ZINC001567555516 1160419830 /nfs/dbraw/zinc/41/98/30/1160419830.db2.gz QGIQSHKIWLRSHU-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CCCC[NH+](C)C ZINC001567592330 1160435226 /nfs/dbraw/zinc/43/52/26/1160435226.db2.gz VELMZLSBCLBGCK-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)n1 ZINC001568318432 1160628322 /nfs/dbraw/zinc/62/83/22/1160628322.db2.gz AHMJFZAVPJNONT-ZDUSSCGKSA-N 1 3 322.457 0.427 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001568862231 1160823832 /nfs/dbraw/zinc/82/38/32/1160823832.db2.gz FVBQWFLQIKSVDI-CWHGNCJQSA-N 1 3 322.453 0.529 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001568862231 1160823840 /nfs/dbraw/zinc/82/38/40/1160823840.db2.gz FVBQWFLQIKSVDI-CWHGNCJQSA-N 1 3 322.453 0.529 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1 ZINC001569270319 1160999222 /nfs/dbraw/zinc/99/92/22/1160999222.db2.gz RAZIFNLDKVHYOG-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N1CC[C@H](N(C)S(=O)(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC001573525328 1163456402 /nfs/dbraw/zinc/45/64/02/1163456402.db2.gz VPVJUJFSJPGWPL-KGLIPLIRSA-N 1 3 303.472 0.873 20 0 DCADHO C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)C[C@H]1CC[NH2+]C1 ZINC001573636514 1163519801 /nfs/dbraw/zinc/51/98/01/1163519801.db2.gz QOOOEWPTRXRQIA-HZSPNIEDSA-N 1 3 301.456 0.484 20 0 DCADHO C[NH2+]CC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001573896829 1163579856 /nfs/dbraw/zinc/57/98/56/1163579856.db2.gz VXPMODLDYSAQGC-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](NCc2cn[nH]n2)C1)[NH+](C)C ZINC001575442972 1164017626 /nfs/dbraw/zinc/01/76/26/1164017626.db2.gz NQSROUYCTNZCKM-GXTWGEPZSA-N 1 3 308.430 0.472 20 0 DCADHO C[C@@H](CCCNCc1cn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575532063 1164050422 /nfs/dbraw/zinc/05/04/22/1164050422.db2.gz XOKORVHNFSKOKP-OUCADQQQSA-N 1 3 308.430 0.519 20 0 DCADHO C[C@@H](CCCNCc1cn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575532063 1164050430 /nfs/dbraw/zinc/05/04/30/1164050430.db2.gz XOKORVHNFSKOKP-OUCADQQQSA-N 1 3 308.430 0.519 20 0 DCADHO C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1CCc1cn[nH]n1 ZINC001576020129 1164211930 /nfs/dbraw/zinc/21/19/30/1164211930.db2.gz ILSVHCYMHFROAD-DZGCQCFKSA-N 1 3 322.457 0.658 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CC(O)C2)CN1Cc1ccccc1 ZINC001576614216 1164414200 /nfs/dbraw/zinc/41/42/00/1164414200.db2.gz ACRUSRQWWRWUFV-MEJIKEQKSA-N 1 3 317.433 0.865 20 0 DCADHO CCN(C)Cc1cc(O[C@@H]2CCN(C[C@](C)(O)C[NH3+])C2)ccn1 ZINC001577654944 1164755458 /nfs/dbraw/zinc/75/54/58/1164755458.db2.gz LQSMNQHSGHGDSK-IAGOWNOFSA-N 1 3 322.453 0.696 20 0 DCADHO CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CC[NH3+] ZINC001578311497 1164971002 /nfs/dbraw/zinc/97/10/02/1164971002.db2.gz IABCKNNWUWNAMD-UHFFFAOYSA-N 1 3 322.457 0.348 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001578397331 1164997922 /nfs/dbraw/zinc/99/79/22/1164997922.db2.gz LDEBIZHACMULLY-CBBWQLFWSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)C[C@@H]1CNCCO1)c1cccnc1 ZINC001578415334 1165006136 /nfs/dbraw/zinc/00/61/36/1165006136.db2.gz LSPUXZRDYSOQQW-CABCVRRESA-N 1 3 306.410 0.569 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001578418499 1165007928 /nfs/dbraw/zinc/00/79/28/1165007928.db2.gz AJWXMYBXMZAICP-MGPQQGTHSA-N 1 3 320.441 0.954 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001578421403 1165010721 /nfs/dbraw/zinc/01/07/21/1165010721.db2.gz PUZXTFFXZJDNJB-SNPRPXQTSA-N 1 3 309.435 0.919 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC001578528420 1165044325 /nfs/dbraw/zinc/04/43/25/1165044325.db2.gz GBAGTXYHZRXWPB-CYBMUJFWSA-N 1 3 308.430 0.477 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CC3(C2)CC[NH2+]CC3)CC1 ZINC001578533281 1165048095 /nfs/dbraw/zinc/04/80/95/1165048095.db2.gz DGGOMFQRMNDSKK-UHFFFAOYSA-N 1 3 323.485 0.409 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC001578533749 1165050010 /nfs/dbraw/zinc/05/00/10/1165050010.db2.gz WXGMZSNLKKZSCO-HDJSIYSDSA-N 1 3 309.458 0.145 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001578640340 1165072945 /nfs/dbraw/zinc/07/29/45/1165072945.db2.gz GSPWIXYEGMKTOR-JSGCOSHPSA-N 1 3 313.467 0.855 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC001578640610 1165073261 /nfs/dbraw/zinc/07/32/61/1165073261.db2.gz IUGPHPJTPXQUND-WBVHZDCISA-N 1 3 321.465 0.836 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001578640341 1165073754 /nfs/dbraw/zinc/07/37/54/1165073754.db2.gz GSPWIXYEGMKTOR-OCCSQVGLSA-N 1 3 313.467 0.855 20 0 DCADHO COC(=O)[C@@H]1C[N@H+](C[C@]2(O)CCCNC2)C[C@@H]1c1ccccc1 ZINC001578834887 1165135450 /nfs/dbraw/zinc/13/54/50/1165135450.db2.gz TWEYQSCJHFUJRL-NUJGCVRESA-N 1 3 318.417 0.990 20 0 DCADHO COC(=O)[C@@H]1C[N@@H+](C[C@]2(O)CCCNC2)C[C@@H]1c1ccccc1 ZINC001578834887 1165135453 /nfs/dbraw/zinc/13/54/53/1165135453.db2.gz TWEYQSCJHFUJRL-NUJGCVRESA-N 1 3 318.417 0.990 20 0 DCADHO COc1ccc([C@H](NC(C)C)C(=O)NC2(CCO)C[NH2+]C2)cc1 ZINC001579199058 1165236475 /nfs/dbraw/zinc/23/64/75/1165236475.db2.gz FDCNRSIVYBRXRC-HNNXBMFYSA-N 1 3 321.421 0.575 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC001579301994 1165265442 /nfs/dbraw/zinc/26/54/42/1165265442.db2.gz SWRIQNLRMUHBAQ-YOEHRIQHSA-N 1 3 321.421 0.658 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC001579301994 1165265448 /nfs/dbraw/zinc/26/54/48/1165265448.db2.gz SWRIQNLRMUHBAQ-YOEHRIQHSA-N 1 3 321.421 0.658 20 0 DCADHO CSCC[C@H]([NH3+])CC(=O)N(CCO)C1CCN(C)CC1 ZINC001579378681 1165290035 /nfs/dbraw/zinc/29/00/35/1165290035.db2.gz HNLJFUIBQMRVCV-LBPRGKRZSA-N 1 3 303.472 0.372 20 0 DCADHO Cc1nn[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001579839779 1165407357 /nfs/dbraw/zinc/40/73/57/1165407357.db2.gz REXBKVKVQRRVCR-BETUJISGSA-N 1 3 304.398 0.154 20 0 DCADHO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@@]12CCN(C1)CCC2 ZINC001579993605 1165463717 /nfs/dbraw/zinc/46/37/17/1165463717.db2.gz BMBPDPGBKTXNHX-INIZCTEOSA-N 1 3 318.425 0.128 20 0 DCADHO Cn1nc(C(F)(F)F)cc1CNCCN1CCC([NH3+])CC1 ZINC001579992504 1165464514 /nfs/dbraw/zinc/46/45/14/1165464514.db2.gz KEZULIWVXLTWIC-UHFFFAOYSA-N 1 3 305.348 0.952 20 0 DCADHO NC(=O)[C@H](CNCCC1([NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC001580084354 1165496227 /nfs/dbraw/zinc/49/62/27/1165496227.db2.gz IZYLAFHOLVHTJG-AWEZNQCLSA-N 1 3 323.412 0.957 20 0 DCADHO N[C@@H](C[NH2+]C[C@@]1(CO)COC[C@@H]2CCCN21)CC(F)(F)F ZINC001580131649 1165512809 /nfs/dbraw/zinc/51/28/09/1165512809.db2.gz GJPHQCWDBBWVPD-GRYCIOLGSA-N 1 3 311.348 0.081 20 0 DCADHO [NH3+][C@@H](CNC[C@@]1(CO)COC[C@@H]2CCCN21)CC(F)(F)F ZINC001580131649 1165512815 /nfs/dbraw/zinc/51/28/15/1165512815.db2.gz GJPHQCWDBBWVPD-GRYCIOLGSA-N 1 3 311.348 0.081 20 0 DCADHO NC1(CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)COC1 ZINC001580143744 1165517543 /nfs/dbraw/zinc/51/75/43/1165517543.db2.gz FDZJPPWBBOEUBR-CQSZACIVSA-N 1 3 305.378 0.310 20 0 DCADHO NC1(CC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)COC1 ZINC001580143744 1165517552 /nfs/dbraw/zinc/51/75/52/1165517552.db2.gz FDZJPPWBBOEUBR-CQSZACIVSA-N 1 3 305.378 0.310 20 0 DCADHO [NH3+]CCCN(CCCN1C(=O)CNC1=O)Cc1ccccc1 ZINC001580296967 1165561355 /nfs/dbraw/zinc/56/13/55/1165561355.db2.gz BUTFRYRYRQUGKO-UHFFFAOYSA-N 1 3 304.394 0.779 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC001580461458 1165610106 /nfs/dbraw/zinc/61/01/06/1165610106.db2.gz PSNRRYWWBVTRFF-OAHLLOKOSA-N 1 3 319.409 0.716 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC001580461458 1165610111 /nfs/dbraw/zinc/61/01/11/1165610111.db2.gz PSNRRYWWBVTRFF-OAHLLOKOSA-N 1 3 319.409 0.716 20 0 DCADHO O=C(C[C@]1(O)CC[NH2+]C1)NCCCN1CCc2ccccc2C1 ZINC001580499450 1165624155 /nfs/dbraw/zinc/62/41/55/1165624155.db2.gz CGOJQPPLVCRNBC-GOSISDBHSA-N 1 3 317.433 0.666 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001580509228 1165625129 /nfs/dbraw/zinc/62/51/29/1165625129.db2.gz TURBVGLKGZZJEA-LDBYLJPUSA-N 1 3 321.465 0.965 20 0 DCADHO O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580609872 1165655594 /nfs/dbraw/zinc/65/55/94/1165655594.db2.gz VPYYJTHMPUYYKN-CHUNWDLHSA-N 1 3 307.438 0.621 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001580615887 1165658322 /nfs/dbraw/zinc/65/83/22/1165658322.db2.gz JJBODZALJCCXBM-BZUAXINKSA-N 1 3 318.421 0.133 20 0 DCADHO O=C(NC[C@H]1CCN1C1CCOCC1)N1CCC12CC[NH2+]CC2 ZINC001580660974 1165678682 /nfs/dbraw/zinc/67/86/82/1165678682.db2.gz JPPWAXCEHQKFGT-OAHLLOKOSA-N 1 3 322.453 0.777 20 0 DCADHO O=C1O[C@@H](CNCc2cnn3c2CCC3)CC12CC[NH2+]CC2 ZINC001580859263 1165741192 /nfs/dbraw/zinc/74/11/92/1165741192.db2.gz XSBYQYUDCIWFTK-CYBMUJFWSA-N 1 3 304.394 0.604 20 0 DCADHO C[C@@H]([NH3+])C1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589912891 1166718091 /nfs/dbraw/zinc/71/80/91/1166718091.db2.gz LYUCNIGEJVOONJ-ABAIWWIYSA-N 1 3 316.409 0.959 20 0 DCADHO C[C@@H]([NH3+])C1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589912891 1166718094 /nfs/dbraw/zinc/71/80/94/1166718094.db2.gz LYUCNIGEJVOONJ-ABAIWWIYSA-N 1 3 316.409 0.959 20 0 DCADHO COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001605052022 1169796750 /nfs/dbraw/zinc/79/67/50/1169796750.db2.gz HXAOWMQVDDZMLZ-GFCCVEGCSA-N 1 3 320.397 0.719 20 0 DCADHO COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001605052022 1169796755 /nfs/dbraw/zinc/79/67/55/1169796755.db2.gz HXAOWMQVDDZMLZ-GFCCVEGCSA-N 1 3 320.397 0.719 20 0 DCADHO c1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(-c2nn[n-]n2)c1 ZINC001607117994 1170403075 /nfs/dbraw/zinc/40/30/75/1170403075.db2.gz NCPFGKBIAAVXOB-OAHLLOKOSA-N 1 3 313.409 0.346 20 0 DCADHO c1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(-c2nn[n-]n2)c1 ZINC001607117994 1170403079 /nfs/dbraw/zinc/40/30/79/1170403079.db2.gz NCPFGKBIAAVXOB-OAHLLOKOSA-N 1 3 313.409 0.346 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000048712844 1171669895 /nfs/dbraw/zinc/66/98/95/1171669895.db2.gz FYWISYHLNGWSSX-AWEZNQCLSA-N 1 3 304.438 0.901 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1=O ZINC001645583539 1172065179 /nfs/dbraw/zinc/06/51/79/1172065179.db2.gz JNBAWOUBSTTWIP-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001646747722 1172507937 /nfs/dbraw/zinc/50/79/37/1172507937.db2.gz IWHFYHALCAIEQA-LRDDRELGSA-N 1 3 303.410 0.892 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@@H]2C1 ZINC001646833596 1172556912 /nfs/dbraw/zinc/55/69/12/1172556912.db2.gz HPFZXUMUGTZOAB-FRRDWIJNSA-N 1 3 317.437 0.858 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCc2ccnn2C)C1 ZINC001649440423 1173134887 /nfs/dbraw/zinc/13/48/87/1173134887.db2.gz PBYSLRJBTOKXMR-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO Cc1nc([C@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)no1 ZINC001650015369 1173376910 /nfs/dbraw/zinc/37/69/10/1173376910.db2.gz PSPOUECIWHOTNZ-STQMWFEESA-N 1 3 307.398 0.365 20 0 DCADHO Cc1nc([C@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)no1 ZINC001650015369 1173376915 /nfs/dbraw/zinc/37/69/15/1173376915.db2.gz PSPOUECIWHOTNZ-STQMWFEESA-N 1 3 307.398 0.365 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC001650183397 1173504197 /nfs/dbraw/zinc/50/41/97/1173504197.db2.gz PFGLCMHLVTXAFF-JCIFFFGLSA-N 1 3 308.426 0.419 20 0 DCADHO C[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC001650337335 1173574528 /nfs/dbraw/zinc/57/45/28/1173574528.db2.gz BFRSYTYJBRUFPI-BXUZGUMPSA-N 1 3 316.405 0.580 20 0 DCADHO C[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC001650337335 1173574532 /nfs/dbraw/zinc/57/45/32/1173574532.db2.gz BFRSYTYJBRUFPI-BXUZGUMPSA-N 1 3 316.405 0.580 20 0 DCADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001650373623 1173599643 /nfs/dbraw/zinc/59/96/43/1173599643.db2.gz CZZQCDJCRCVGIG-CVEARBPZSA-N 1 3 320.437 0.332 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOCC(F)F)C1)N(C)C ZINC001661366099 1174118600 /nfs/dbraw/zinc/11/86/00/1174118600.db2.gz PLORZUWVYYQREH-NWDGAFQWSA-N 1 3 307.385 0.799 20 0 DCADHO Cc1noc(CCC[NH2+]CCN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001664213120 1174408287 /nfs/dbraw/zinc/40/82/87/1174408287.db2.gz GSRMTERKFOSYSA-UHFFFAOYSA-N 1 3 306.370 0.324 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309682 1174420441 /nfs/dbraw/zinc/42/04/41/1174420441.db2.gz YVASXNRNZIZLCL-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CCn1cncn1 ZINC001666600282 1174613682 /nfs/dbraw/zinc/61/36/82/1174613682.db2.gz QWLANIRCBAEMCV-CQSZACIVSA-N 1 3 322.457 0.494 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC)N(C)C ZINC001667284066 1174674000 /nfs/dbraw/zinc/67/40/00/1174674000.db2.gz CKKRANALGXELDA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCn1nncc1C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001668214772 1174769871 /nfs/dbraw/zinc/76/98/71/1174769871.db2.gz OUYNLEJIJQICGZ-UONOGXRCSA-N 1 3 322.457 0.624 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC/C=C/CN[C@H]1CCCNC1=O ZINC001669201019 1174908375 /nfs/dbraw/zinc/90/83/75/1174908375.db2.gz KYHNMAWUPMHZJK-YLSAJCSVSA-N 1 3 322.453 0.403 20 0 DCADHO CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC)C(N)=O ZINC001670357949 1175006842 /nfs/dbraw/zinc/00/68/42/1175006842.db2.gz XBMLDPCFEGUWHT-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCC[C@H]2CCCN2CC(N)=O)CC[N@@H+]1C ZINC001690906654 1177346678 /nfs/dbraw/zinc/34/66/78/1177346678.db2.gz AGGWVOKFBCGEMD-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCC[C@H]2CCCN2CC(N)=O)CC[N@H+]1C ZINC001690906654 1177346681 /nfs/dbraw/zinc/34/66/81/1177346681.db2.gz AGGWVOKFBCGEMD-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cncn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001699132922 1177885228 /nfs/dbraw/zinc/88/52/28/1177885228.db2.gz AVTGGKFFNAXXQC-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699506579 1178171451 /nfs/dbraw/zinc/17/14/51/1178171451.db2.gz HSRFXVZTBJRTBL-OAHLLOKOSA-N 1 3 319.453 0.700 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699506667 1178171915 /nfs/dbraw/zinc/17/19/15/1178171915.db2.gz IEPJRILGIJJYLJ-MRXNPFEDSA-N 1 3 319.453 0.700 20 0 DCADHO COCCC[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001700307404 1178575011 /nfs/dbraw/zinc/57/50/11/1178575011.db2.gz QEMZTKPAGAVGQU-UHFFFAOYSA-N 1 3 313.442 0.062 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001720135668 1180538559 /nfs/dbraw/zinc/53/85/59/1180538559.db2.gz IWFOCCMXMQTHJM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001720135668 1180538562 /nfs/dbraw/zinc/53/85/62/1180538562.db2.gz IWFOCCMXMQTHJM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(C)n(CC[N@@H+](C)CCCNC(=O)[C@@H]2CCCN2C)n1 ZINC001712939539 1180569742 /nfs/dbraw/zinc/56/97/42/1180569742.db2.gz OANHFEGXTUTKJE-HNNXBMFYSA-N 1 3 322.457 0.427 20 0 DCADHO Cc1nc(C)n(CC[N@H+](C)CCCNC(=O)[C@@H]2CCCN2C)n1 ZINC001712939539 1180569748 /nfs/dbraw/zinc/56/97/48/1180569748.db2.gz OANHFEGXTUTKJE-HNNXBMFYSA-N 1 3 322.457 0.427 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001713027761 1180635613 /nfs/dbraw/zinc/63/56/13/1180635613.db2.gz GXDNYLLJBVDWSM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001713027761 1180635622 /nfs/dbraw/zinc/63/56/22/1180635622.db2.gz GXDNYLLJBVDWSM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713240772 1180732902 /nfs/dbraw/zinc/73/29/02/1180732902.db2.gz PRCZPRQCBPGGLQ-KGLIPLIRSA-N 1 3 308.426 0.941 20 0 DCADHO CN(CC[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1CCCN1C ZINC001713578354 1180935466 /nfs/dbraw/zinc/93/54/66/1180935466.db2.gz NIOAPOHRUFQLGW-HNNXBMFYSA-N 1 3 318.421 0.428 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713590941 1180948627 /nfs/dbraw/zinc/94/86/27/1180948627.db2.gz VUYHFQOUZFDYBQ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001713590941 1180948635 /nfs/dbraw/zinc/94/86/35/1180948635.db2.gz VUYHFQOUZFDYBQ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCNCC(=O)N1CCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713655221 1180999194 /nfs/dbraw/zinc/99/91/94/1180999194.db2.gz VVXZRTOQCRLJQP-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCNCC(=O)N1CCCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713655221 1180999200 /nfs/dbraw/zinc/99/92/00/1180999200.db2.gz VVXZRTOQCRLJQP-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCOC2CCC2)C1 ZINC001714368374 1181338508 /nfs/dbraw/zinc/33/85/08/1181338508.db2.gz ZMBMJKGFFOSJJO-ZDUSSCGKSA-N 1 3 306.410 0.959 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC1CC1 ZINC001714713025 1181497889 /nfs/dbraw/zinc/49/78/89/1181497889.db2.gz INFRVARJQCUUCQ-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC1CC1 ZINC001714713025 1181497892 /nfs/dbraw/zinc/49/78/92/1181497892.db2.gz INFRVARJQCUUCQ-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001715683232 1181939648 /nfs/dbraw/zinc/93/96/48/1181939648.db2.gz NCMGEJGOADCCEH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001715911630 1182096215 /nfs/dbraw/zinc/09/62/15/1182096215.db2.gz IVDRUHLJBGGCFV-MUBLQREKSA-N 1 3 318.421 0.498 20 0 DCADHO C[C@@H](F)CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001716097164 1182188063 /nfs/dbraw/zinc/18/80/63/1182188063.db2.gz NEDBDZSDOLTAOF-CHWSQXEVSA-N 1 3 303.422 0.676 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001716368865 1182360817 /nfs/dbraw/zinc/36/08/17/1182360817.db2.gz AOHVKNGRJRJCDH-YICQSFOJSA-N 1 3 318.421 0.949 20 0 DCADHO CN1CCC[C@H](NC/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001716367127 1182361195 /nfs/dbraw/zinc/36/11/95/1182361195.db2.gz HZQCRBDWGMGPAV-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@H](NC/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001716367127 1182361196 /nfs/dbraw/zinc/36/11/96/1182361196.db2.gz HZQCRBDWGMGPAV-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001716412562 1182379569 /nfs/dbraw/zinc/37/95/69/1182379569.db2.gz ZDRNIKIFARNHCV-HIFRSBDPSA-N 1 3 309.458 0.934 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCCN1CCCC1=O ZINC001716462195 1182399599 /nfs/dbraw/zinc/39/95/99/1182399599.db2.gz UJGHTJUDCWYORW-LBPRGKRZSA-N 1 3 321.425 0.367 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001721865798 1184086273 /nfs/dbraw/zinc/08/62/73/1184086273.db2.gz NPEZCTHZVPEZRS-MLQDSIPVSA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001721865798 1184086281 /nfs/dbraw/zinc/08/62/81/1184086281.db2.gz NPEZCTHZVPEZRS-MLQDSIPVSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CCO ZINC001724584168 1184466585 /nfs/dbraw/zinc/46/65/85/1184466585.db2.gz HVGMULLBZNUMTM-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001724816623 1184571622 /nfs/dbraw/zinc/57/16/22/1184571622.db2.gz OVABWRYDZUQZBQ-AWEZNQCLSA-N 1 3 313.442 0.324 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC/C=C/Cl)C1 ZINC001724824156 1184576652 /nfs/dbraw/zinc/57/66/52/1184576652.db2.gz SMUIKUNPBKXOQT-DIECRNLCSA-N 1 3 303.834 0.898 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)CNCCF ZINC001725710079 1184959665 /nfs/dbraw/zinc/95/96/65/1184959665.db2.gz MVZIEXRUGHCHFZ-ZIAGYGMSSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)CNCCF ZINC001725710079 1184959670 /nfs/dbraw/zinc/95/96/70/1184959670.db2.gz MVZIEXRUGHCHFZ-ZIAGYGMSSA-N 1 3 303.422 0.628 20 0 DCADHO CN(CCCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC001731263466 1185228388 /nfs/dbraw/zinc/22/83/88/1185228388.db2.gz ZWNQDPPVQQEBTD-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001731917995 1185573087 /nfs/dbraw/zinc/57/30/87/1185573087.db2.gz UXNMPCYCZFVLTC-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001731917995 1185573091 /nfs/dbraw/zinc/57/30/91/1185573091.db2.gz UXNMPCYCZFVLTC-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001732721938 1185936307 /nfs/dbraw/zinc/93/63/07/1185936307.db2.gz CHIIUBCIQHCTNY-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001732727634 1185939227 /nfs/dbraw/zinc/93/92/27/1185939227.db2.gz APVOMXXEUZBJMP-LSDHHAIUSA-N 1 3 321.469 0.789 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001732996972 1186096501 /nfs/dbraw/zinc/09/65/01/1186096501.db2.gz ZHYCNCHYBZSAHK-HOCLYGCPSA-N 1 3 321.469 0.930 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001733135815 1186157118 /nfs/dbraw/zinc/15/71/18/1186157118.db2.gz NQVOEZIJOAEBKG-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001733574856 1186337456 /nfs/dbraw/zinc/33/74/56/1186337456.db2.gz BCIMFLIYJAGSDL-XHSDSOJGSA-N 1 3 311.470 0.999 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001733574856 1186337459 /nfs/dbraw/zinc/33/74/59/1186337459.db2.gz BCIMFLIYJAGSDL-XHSDSOJGSA-N 1 3 311.470 0.999 20 0 DCADHO CN(C[C@H](O)C[NH2+]C/C=C/Cl)C(=O)CN(C)C1CCC1 ZINC001734518757 1186673400 /nfs/dbraw/zinc/67/34/00/1186673400.db2.gz LXKONWCXEMBSBQ-WXJAXGNASA-N 1 3 303.834 0.632 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(C)C1=O ZINC001752182278 1188398565 /nfs/dbraw/zinc/39/85/65/1188398565.db2.gz VUNILILZXAXHHI-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(C)C1=O ZINC001752182278 1188398570 /nfs/dbraw/zinc/39/85/70/1188398570.db2.gz VUNILILZXAXHHI-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001752686947 1188433695 /nfs/dbraw/zinc/43/36/95/1188433695.db2.gz FYAPEENKFUHPCB-KKUMJFAQSA-N 1 3 313.442 0.107 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)n1 ZINC001753715216 1188646174 /nfs/dbraw/zinc/64/61/74/1188646174.db2.gz SBSZFVVXZGOPQZ-NSHDSACASA-N 1 3 319.413 0.297 20 0 DCADHO C[C@H](CC[NH2+]CCn1cncn1)NC(=O)CN1CC[C@H](C)C1 ZINC001753999087 1188706957 /nfs/dbraw/zinc/70/69/57/1188706957.db2.gz FKPULCPATHQSSP-UONOGXRCSA-N 1 3 308.430 0.104 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001754007396 1188709712 /nfs/dbraw/zinc/70/97/12/1188709712.db2.gz LUTATCINYLJPKQ-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001754255911 1188799963 /nfs/dbraw/zinc/79/99/63/1188799963.db2.gz FHIDAWGXZHTKQU-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001754255024 1188800279 /nfs/dbraw/zinc/80/02/79/1188800279.db2.gz ASICRFQPPXBENC-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC001755125378 1189031286 /nfs/dbraw/zinc/03/12/86/1189031286.db2.gz VDOCULBUVUHHRI-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO [NH3+]C[C@@H](O)CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001772223845 1190634907 /nfs/dbraw/zinc/63/49/07/1190634907.db2.gz GCVBXZNATKPWOK-INIZCTEOSA-N 1 3 321.421 0.539 20 0 DCADHO O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001772253688 1190644665 /nfs/dbraw/zinc/64/46/65/1190644665.db2.gz XNONZOIBMHHUSM-BZUAXINKSA-N 1 3 315.417 0.312 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@H]3CCCCN3CCO)[C@@H]2C1 ZINC001772437468 1190683631 /nfs/dbraw/zinc/68/36/31/1190683631.db2.gz VLXDSMXOBCKOON-JJXSEGSLSA-N 1 3 324.469 0.473 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@H]3CCCCN3CCO)[C@@H]2C1 ZINC001772437468 1190683638 /nfs/dbraw/zinc/68/36/38/1190683638.db2.gz VLXDSMXOBCKOON-JJXSEGSLSA-N 1 3 324.469 0.473 20 0 DCADHO CCN(CC)CC(=O)NCCCNC(=O)C1CC[NH+](C)CC1 ZINC001575856157 1164173569 /nfs/dbraw/zinc/17/35/69/1164173569.db2.gz SQQOTMJNQQBJMM-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN1CCN(c2cccc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)n2)CC1 ZINC001164388984 718823483 /nfs/dbraw/zinc/82/34/83/718823483.db2.gz FUMZIJCHGVNZBM-HUUCEWRRSA-N 1 3 317.437 0.401 20 0 DCADHO CN1CCN(c2cccc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)n2)CC1 ZINC001164388982 718823668 /nfs/dbraw/zinc/82/36/68/718823668.db2.gz FUMZIJCHGVNZBM-GJZGRUSLSA-N 1 3 317.437 0.401 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(CN)ncn3)CC[C@H]2C1 ZINC001164852282 720847210 /nfs/dbraw/zinc/84/72/10/720847210.db2.gz JXDGLABTUXXAOV-DZGCQCFKSA-N 1 3 321.425 0.109 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(c3cc(CN)ncn3)CC[C@H]2C1 ZINC001164852282 720847212 /nfs/dbraw/zinc/84/72/12/720847212.db2.gz JXDGLABTUXXAOV-DZGCQCFKSA-N 1 3 321.425 0.109 20 0 DCADHO CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)N(CCO)C1 ZINC001089641529 751501555 /nfs/dbraw/zinc/50/15/55/751501555.db2.gz OESZXBZSLNBZDT-JKSUJKDBSA-N 1 3 323.481 0.927 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106910573 751552407 /nfs/dbraw/zinc/55/24/07/751552407.db2.gz DVVLEQLAMGKKCN-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297869 751565409 /nfs/dbraw/zinc/56/54/09/751565409.db2.gz NVDLTFUFPBZONV-KBUPBQIOSA-N 1 3 313.442 0.179 20 0 DCADHO COCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297869 751565411 /nfs/dbraw/zinc/56/54/11/751565411.db2.gz NVDLTFUFPBZONV-KBUPBQIOSA-N 1 3 313.442 0.179 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294597 747136727 /nfs/dbraw/zinc/13/67/27/747136727.db2.gz SLRWDVLZLKHALR-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001167627483 747436766 /nfs/dbraw/zinc/43/67/66/747436766.db2.gz OKYFVMDMNOLBKW-UONOGXRCSA-N 1 3 310.442 0.234 20 0 DCADHO CC1(C)[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]2CCCN(CC(N)=O)[C@H]21 ZINC001087317505 747651663 /nfs/dbraw/zinc/65/16/63/747651663.db2.gz JGGAFTFEJKBQAW-APHBMKBZSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104676517 747826727 /nfs/dbraw/zinc/82/67/27/747826727.db2.gz NSVADMNLUIMKIR-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001203456404 752264560 /nfs/dbraw/zinc/26/45/60/752264560.db2.gz WYTLQXDHERRJJQ-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2)C(N)=O ZINC001112535962 748853476 /nfs/dbraw/zinc/85/34/76/748853476.db2.gz JQNNCHGCBBVEML-MKBNYLNASA-N 1 3 319.409 0.044 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCn1cncn1 ZINC001087828206 749070656 /nfs/dbraw/zinc/07/06/56/749070656.db2.gz DMHSLCSWPKFJNB-QLFBSQMISA-N 1 3 320.441 0.199 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCn1cncn1 ZINC001087828206 749070659 /nfs/dbraw/zinc/07/06/59/749070659.db2.gz DMHSLCSWPKFJNB-QLFBSQMISA-N 1 3 320.441 0.199 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001088326987 749370597 /nfs/dbraw/zinc/37/05/97/749370597.db2.gz CLECRMGKNXLOFD-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001088382339 749411669 /nfs/dbraw/zinc/41/16/69/749411669.db2.gz ZFIGUKWZYGRVTC-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001168320546 749915206 /nfs/dbraw/zinc/91/52/06/749915206.db2.gz BEQQABZKNXSRSU-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077310087 750338625 /nfs/dbraw/zinc/33/86/25/750338625.db2.gz WALQXCYWILCFHY-NILFDRSVSA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077310087 750338635 /nfs/dbraw/zinc/33/86/35/750338635.db2.gz WALQXCYWILCFHY-NILFDRSVSA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077310087 750338642 /nfs/dbraw/zinc/33/86/42/750338642.db2.gz WALQXCYWILCFHY-NILFDRSVSA-N 1 3 318.377 0.144 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCN1CCO ZINC001088862575 750666141 /nfs/dbraw/zinc/66/61/41/750666141.db2.gz HKJMZNNDZDWINB-PBHICJAKSA-N 1 3 319.449 0.976 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912478 750724006 /nfs/dbraw/zinc/72/40/06/750724006.db2.gz AFUIFYLHYBUZDE-GUTXKFCHSA-N 1 3 323.441 0.018 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CCN1CCO ZINC001089061115 750781701 /nfs/dbraw/zinc/78/17/01/750781701.db2.gz YHONJOYSVQSJIV-CJNGLKHVSA-N 1 3 305.422 0.933 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127253974 750926233 /nfs/dbraw/zinc/92/62/33/750926233.db2.gz BOTBHVDDLYCGSC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127253974 750926235 /nfs/dbraw/zinc/92/62/35/750926235.db2.gz BOTBHVDDLYCGSC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)NCC1CC1 ZINC001127254400 750928408 /nfs/dbraw/zinc/92/84/08/750928408.db2.gz FCKHLPAVXRIARV-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)NCC1CC1 ZINC001127254400 750928410 /nfs/dbraw/zinc/92/84/10/750928410.db2.gz FCKHLPAVXRIARV-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCCC1 ZINC001127256043 750939461 /nfs/dbraw/zinc/93/94/61/750939461.db2.gz MCBJEYXKVFLXIH-LSDHHAIUSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCCC1 ZINC001127256043 750939463 /nfs/dbraw/zinc/93/94/63/750939463.db2.gz MCBJEYXKVFLXIH-LSDHHAIUSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256720 750946700 /nfs/dbraw/zinc/94/67/00/750946700.db2.gz QUNDOUHHQZANOK-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256720 750946705 /nfs/dbraw/zinc/94/67/05/750946705.db2.gz QUNDOUHHQZANOK-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO Cn1cncc1CNCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127316921 751093198 /nfs/dbraw/zinc/09/31/98/751093198.db2.gz DXUKKPBFSIMJBZ-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCCC1 ZINC001044857414 752903659 /nfs/dbraw/zinc/90/36/59/752903659.db2.gz JFMLAWWTNSAGDZ-HOTGVXAUSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCCC1 ZINC001044857469 752903875 /nfs/dbraw/zinc/90/38/75/752903875.db2.gz KAEKLNMRVKODTP-CABCVRRESA-N 1 3 320.441 0.343 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001045181652 753077899 /nfs/dbraw/zinc/07/78/99/753077899.db2.gz QMZNMDFULYIIHF-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078178836 753084453 /nfs/dbraw/zinc/08/44/53/753084453.db2.gz FYPXKHLFBZTEBU-IAGOWNOFSA-N 1 3 317.433 0.752 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078199903 753093455 /nfs/dbraw/zinc/09/34/55/753093455.db2.gz AQYZCXBFMVNDTC-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001078396657 753221063 /nfs/dbraw/zinc/22/10/63/753221063.db2.gz BXNCHWIQCXJKLT-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001078396657 753221068 /nfs/dbraw/zinc/22/10/68/753221068.db2.gz BXNCHWIQCXJKLT-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CCCO1 ZINC001078432652 753238491 /nfs/dbraw/zinc/23/84/91/753238491.db2.gz GFGPTYZRGSIWKX-KRIMKBQASA-N 1 3 323.437 0.077 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081281 753470831 /nfs/dbraw/zinc/47/08/31/753470831.db2.gz DBFQMDKDNFNRRJ-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081281 753470836 /nfs/dbraw/zinc/47/08/36/753470836.db2.gz DBFQMDKDNFNRRJ-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@]1(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+](CC2CC2)C1 ZINC001046500801 753752362 /nfs/dbraw/zinc/75/23/62/753752362.db2.gz FHWZEJDBHBJIDA-HILOLKJVSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@@]1(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+](CC2CC2)C1 ZINC001046500801 753752366 /nfs/dbraw/zinc/75/23/66/753752366.db2.gz FHWZEJDBHBJIDA-HILOLKJVSA-N 1 3 319.449 0.840 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N[C@]2(C)CCN(CCO)C2)cc1 ZINC001046619004 753832738 /nfs/dbraw/zinc/83/27/38/753832738.db2.gz LPQFOLXBOPZYQC-GOSISDBHSA-N 1 3 319.449 0.977 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCCO)CCC2(F)F)C1 ZINC001046992801 754059420 /nfs/dbraw/zinc/05/94/20/754059420.db2.gz CYHZLMTXGFLDDO-STQMWFEESA-N 1 3 319.396 0.394 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCCO)CCC2(F)F)C1 ZINC001046992801 754059426 /nfs/dbraw/zinc/05/94/26/754059426.db2.gz CYHZLMTXGFLDDO-STQMWFEESA-N 1 3 319.396 0.394 20 0 DCADHO CCCC[C@H]([NH2+]CCNC(=O)[C@H](F)CN(CC)CC)C(N)=O ZINC001128545124 754068549 /nfs/dbraw/zinc/06/85/49/754068549.db2.gz UOQRRGUVBFTXJC-OLZOCXBDSA-N 1 3 318.437 0.416 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](F)CN(CC)CC ZINC001128551906 754088964 /nfs/dbraw/zinc/08/89/64/754088964.db2.gz HSZNTDLPNLBVAW-STQMWFEESA-N 1 3 318.437 0.287 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044745130 754131069 /nfs/dbraw/zinc/13/10/69/754131069.db2.gz SBLJXLRZJFFVPR-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047596275 754421250 /nfs/dbraw/zinc/42/12/50/754421250.db2.gz OXRCPIOMEAFKLY-IHRRRGAJSA-N 1 3 301.406 0.191 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047596275 754421255 /nfs/dbraw/zinc/42/12/55/754421255.db2.gz OXRCPIOMEAFKLY-IHRRRGAJSA-N 1 3 301.406 0.191 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001048478618 754769165 /nfs/dbraw/zinc/76/91/65/754769165.db2.gz YAJRKJYQPMOIBX-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860076 754983289 /nfs/dbraw/zinc/98/32/89/754983289.db2.gz FWVSUFFAVQSZTE-SOUVJXGZSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860076 754983293 /nfs/dbraw/zinc/98/32/93/754983293.db2.gz FWVSUFFAVQSZTE-SOUVJXGZSA-N 1 3 309.454 0.896 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763052 755079738 /nfs/dbraw/zinc/07/97/38/755079738.db2.gz IZMRPERJWSJDOZ-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO Cc1oncc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049212342 755182259 /nfs/dbraw/zinc/18/22/59/755182259.db2.gz BDOAZKIGEKOQGQ-BMFZPTHFSA-N 1 3 318.421 0.825 20 0 DCADHO Cc1oncc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049212342 755182264 /nfs/dbraw/zinc/18/22/64/755182264.db2.gz BDOAZKIGEKOQGQ-BMFZPTHFSA-N 1 3 318.421 0.825 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)C1 ZINC001049213363 755184091 /nfs/dbraw/zinc/18/40/91/755184091.db2.gz NUGNUIUPFPILIC-ZACQAIPSSA-N 1 3 314.433 0.924 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)C1 ZINC001049213363 755184096 /nfs/dbraw/zinc/18/40/96/755184096.db2.gz NUGNUIUPFPILIC-ZACQAIPSSA-N 1 3 314.433 0.924 20 0 DCADHO CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564755 755681371 /nfs/dbraw/zinc/68/13/71/755681371.db2.gz QLHBBEMAYFXITE-QVCCVMCISA-N 1 3 305.422 0.591 20 0 DCADHO CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564755 755681374 /nfs/dbraw/zinc/68/13/74/755681374.db2.gz QLHBBEMAYFXITE-QVCCVMCISA-N 1 3 305.422 0.591 20 0 DCADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453892 755704542 /nfs/dbraw/zinc/70/45/42/755704542.db2.gz AZWDQSKZHFSQTK-FPCVCCKLSA-N 1 3 309.454 0.965 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079495830 755881701 /nfs/dbraw/zinc/88/17/01/755881701.db2.gz XAWAASXAMYRNII-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160977 756117479 /nfs/dbraw/zinc/11/74/79/756117479.db2.gz HKYHBLONIYHPIJ-MYPHYYIGSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160977 756117480 /nfs/dbraw/zinc/11/74/80/756117480.db2.gz HKYHBLONIYHPIJ-MYPHYYIGSA-N 1 3 321.465 0.942 20 0 DCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081675916 756752555 /nfs/dbraw/zinc/75/25/55/756752555.db2.gz MAZUYKBXJLKDMP-ARFHVFGLSA-N 1 3 307.438 0.554 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1OC ZINC001082384916 757091589 /nfs/dbraw/zinc/09/15/89/757091589.db2.gz QMDYGZIVCVYTDE-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001082384916 757091595 /nfs/dbraw/zinc/09/15/95/757091595.db2.gz QMDYGZIVCVYTDE-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO O=C(N[C@H]1CCN(CCCF)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090394058 757394190 /nfs/dbraw/zinc/39/41/90/757394190.db2.gz SKKXRGMJVJCJNA-UONOGXRCSA-N 1 3 313.417 0.526 20 0 DCADHO CCCN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084083623 757647991 /nfs/dbraw/zinc/64/79/91/757647991.db2.gz RSPDFMWCSZSXMG-CVEARBPZSA-N 1 3 305.422 0.933 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCOC)C[C@H]32)CC[N@@H+]1C ZINC001084356992 757799470 /nfs/dbraw/zinc/79/94/70/757799470.db2.gz AKDYUZSQYYEHKQ-QKPAOTATSA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCOC)C[C@H]32)CC[N@H+]1C ZINC001084356992 757799475 /nfs/dbraw/zinc/79/94/75/757799475.db2.gz AKDYUZSQYYEHKQ-QKPAOTATSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085352736 758828914 /nfs/dbraw/zinc/82/89/14/758828914.db2.gz USWQJBCDMCELLG-KFWWJZLASA-N 1 3 324.469 0.752 20 0 DCADHO CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732022 759246399 /nfs/dbraw/zinc/24/63/99/759246399.db2.gz PMXIDVISZCYKGC-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732022 759246404 /nfs/dbraw/zinc/24/64/04/759246404.db2.gz PMXIDVISZCYKGC-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001147825083 767853401 /nfs/dbraw/zinc/85/34/01/767853401.db2.gz NZXHFXMYOUPFHB-GXTWGEPZSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001147824698 767853532 /nfs/dbraw/zinc/85/35/32/767853532.db2.gz MHTWMDYUNSGYGD-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC001147877240 767868703 /nfs/dbraw/zinc/86/87/03/767868703.db2.gz HRWNEZGUWNGFNQ-OAHLLOKOSA-N 1 3 319.453 0.695 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001147877240 767868710 /nfs/dbraw/zinc/86/87/10/767868710.db2.gz HRWNEZGUWNGFNQ-OAHLLOKOSA-N 1 3 319.453 0.695 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147900267 767879613 /nfs/dbraw/zinc/87/96/13/767879613.db2.gz LDOKCKIMLWNPMD-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147900267 767879619 /nfs/dbraw/zinc/87/96/19/767879619.db2.gz LDOKCKIMLWNPMD-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001129326766 759760692 /nfs/dbraw/zinc/76/06/92/759760692.db2.gz CQZWSEKHSWZPSV-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001129326766 759760696 /nfs/dbraw/zinc/76/06/96/759760696.db2.gz CQZWSEKHSWZPSV-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO Cc1cnc(C[NH2+]CCNC(=O)c2cnccc2N(C)C)cn1 ZINC001148057042 767906269 /nfs/dbraw/zinc/90/62/69/767906269.db2.gz DMLGZUKIZVYPKN-UHFFFAOYSA-N 1 3 314.393 0.766 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155822227 760181241 /nfs/dbraw/zinc/18/12/41/760181241.db2.gz LIAQSUPMKNULOJ-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CN1CCC[C@@H](N2CCC3(CN(C(=O)CC[NH+](C)C)C3)C2)C1=O ZINC001148211046 767936388 /nfs/dbraw/zinc/93/63/88/767936388.db2.gz ZUSAKSLPZUGOGO-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO [NH3+]Cc1cccc(-c2nnn(-c3ccc4c(n3)CNCC4)n2)c1 ZINC001168878677 760494451 /nfs/dbraw/zinc/49/44/51/760494451.db2.gz XDLSPFJDIFWELA-UHFFFAOYSA-N 1 3 307.361 0.829 20 0 DCADHO COCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148286783 767959278 /nfs/dbraw/zinc/95/92/78/767959278.db2.gz YXRYWNAVBBUPRM-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO COCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148286783 767959281 /nfs/dbraw/zinc/95/92/81/767959281.db2.gz YXRYWNAVBBUPRM-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CN1CCOc2c1cnnc2NCc1ncn2c1C[NH2+]CCC2 ZINC001169240303 760611808 /nfs/dbraw/zinc/61/18/08/760611808.db2.gz IHGGUTUJQKVNGY-UHFFFAOYSA-N 1 3 315.381 0.607 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001148360522 767973417 /nfs/dbraw/zinc/97/34/17/767973417.db2.gz WLWMDBGRMLRSFI-UHFFFAOYSA-N 1 3 324.425 0.334 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001148365134 767973931 /nfs/dbraw/zinc/97/39/31/767973931.db2.gz IDCPPFKTFRJECV-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364823 761053780 /nfs/dbraw/zinc/05/37/80/761053780.db2.gz ZNJPECACZXUEOZ-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001148571098 768015902 /nfs/dbraw/zinc/01/59/02/768015902.db2.gz WEOXCRUFMDDXDH-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001148571098 768015906 /nfs/dbraw/zinc/01/59/06/768015906.db2.gz WEOXCRUFMDDXDH-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001148551733 768012799 /nfs/dbraw/zinc/01/27/99/768012799.db2.gz TUWQMPJGVGTEMO-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001148551733 768012809 /nfs/dbraw/zinc/01/28/09/768012809.db2.gz TUWQMPJGVGTEMO-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CC[N@H+](C)CCC)C(N)=O ZINC001148578144 768019334 /nfs/dbraw/zinc/01/93/34/768019334.db2.gz OTNHCILZYQMSML-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CC[N@@H+](C)CCC)C(N)=O ZINC001148578144 768019338 /nfs/dbraw/zinc/01/93/38/768019338.db2.gz OTNHCILZYQMSML-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(CC)CC ZINC001148578455 768019681 /nfs/dbraw/zinc/01/96/81/768019681.db2.gz UBZWDSPNEQMBNA-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N(CC)CC ZINC001148578455 768019685 /nfs/dbraw/zinc/01/96/85/768019685.db2.gz UBZWDSPNEQMBNA-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(CC)CC ZINC001148655870 768025356 /nfs/dbraw/zinc/02/53/56/768025356.db2.gz UEMHJVCLJBDDQS-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1)C1CC1 ZINC001091738411 768026071 /nfs/dbraw/zinc/02/60/71/768026071.db2.gz XCVFCTWMLJDGNG-VYDXJSESSA-N 1 3 309.454 0.489 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1)C1CC1 ZINC001091738411 768026074 /nfs/dbraw/zinc/02/60/74/768026074.db2.gz XCVFCTWMLJDGNG-VYDXJSESSA-N 1 3 309.454 0.489 20 0 DCADHO COC[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979766 761629577 /nfs/dbraw/zinc/62/95/77/761629577.db2.gz CFGWRXYUGVPRFW-XGUBFFRZSA-N 1 3 313.442 0.321 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001129421531 762934233 /nfs/dbraw/zinc/93/42/33/762934233.db2.gz ACDBPQWUKBDORF-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001129421531 762934236 /nfs/dbraw/zinc/93/42/36/762934236.db2.gz ACDBPQWUKBDORF-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1CCC1 ZINC001129531756 762953407 /nfs/dbraw/zinc/95/34/07/762953407.db2.gz JBGJNNIFVBEMRA-LLVKDONJSA-N 1 3 311.348 0.490 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)CN(C)C2CCC2)n1 ZINC001129531948 762953638 /nfs/dbraw/zinc/95/36/38/762953638.db2.gz NKAYYTLMEOBLSL-UHFFFAOYSA-N 1 3 307.442 0.690 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1)C1CCC1 ZINC001129532277 762954805 /nfs/dbraw/zinc/95/48/05/762954805.db2.gz XWDFZYVAKLVXPX-QGZVFWFLSA-N 1 3 319.449 0.780 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCn1cc(Cl)cn1)C1CCC1 ZINC001129532096 762954992 /nfs/dbraw/zinc/95/49/92/762954992.db2.gz QUMANGGVHSQYJZ-UHFFFAOYSA-N 1 3 313.833 0.727 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129534850 762959964 /nfs/dbraw/zinc/95/99/64/762959964.db2.gz AGQFJHHAVKLULL-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129855089 763024959 /nfs/dbraw/zinc/02/49/59/763024959.db2.gz CFOJEKXAVLXLRR-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129855089 763024961 /nfs/dbraw/zinc/02/49/61/763024961.db2.gz CFOJEKXAVLXLRR-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856358 763026285 /nfs/dbraw/zinc/02/62/85/763026285.db2.gz PWDXDUUBEQISBG-OAHLLOKOSA-N 1 3 307.442 0.809 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856358 763026279 /nfs/dbraw/zinc/02/62/79/763026279.db2.gz PWDXDUUBEQISBG-OAHLLOKOSA-N 1 3 307.442 0.809 20 0 DCADHO COCCC[N@@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099872081 763089779 /nfs/dbraw/zinc/08/97/79/763089779.db2.gz OKFUZZPICNCANM-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@H+]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099872081 763089781 /nfs/dbraw/zinc/08/97/81/763089781.db2.gz OKFUZZPICNCANM-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001130203356 763176742 /nfs/dbraw/zinc/17/67/42/763176742.db2.gz JLKCYPOTYAOGJX-GFCCVEGCSA-N 1 3 301.822 0.583 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001130426874 763298799 /nfs/dbraw/zinc/29/87/99/763298799.db2.gz FNWLONSFNPBPSH-UHFFFAOYSA-N 1 3 314.474 0.585 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001130426874 763298809 /nfs/dbraw/zinc/29/88/09/763298809.db2.gz FNWLONSFNPBPSH-UHFFFAOYSA-N 1 3 314.474 0.585 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O)N1CCCC1 ZINC001090490034 763431397 /nfs/dbraw/zinc/43/13/97/763431397.db2.gz QFXVFWKGPFCCIM-LSDHHAIUSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O)N1CCCC1 ZINC001090490034 763431399 /nfs/dbraw/zinc/43/13/99/763431399.db2.gz QFXVFWKGPFCCIM-LSDHHAIUSA-N 1 3 309.454 0.822 20 0 DCADHO CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868282 768151361 /nfs/dbraw/zinc/15/13/61/768151361.db2.gz MCUCTIOEXYMXSU-HNJNVOIISA-N 1 3 319.449 0.650 20 0 DCADHO CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868282 768151363 /nfs/dbraw/zinc/15/13/63/768151363.db2.gz MCUCTIOEXYMXSU-HNJNVOIISA-N 1 3 319.449 0.650 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC(NCc2cnnn2C)C1)[NH+](C)C ZINC001100651722 763702142 /nfs/dbraw/zinc/70/21/42/763702142.db2.gz FOWISLCDULYCLC-SSDMNJCBSA-N 1 3 322.457 0.386 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccnn2C)C1 ZINC001100675936 763715791 /nfs/dbraw/zinc/71/57/91/763715791.db2.gz DESMZEQKOAMFRL-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100769267 763773849 /nfs/dbraw/zinc/77/38/49/763773849.db2.gz ASLAHRFMUBMXLU-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001100769522 763773946 /nfs/dbraw/zinc/77/39/46/763773946.db2.gz OCBQFAYVLMJKFA-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)O[C@]2(CCN(CCO)C2)C1 ZINC001131692967 763953803 /nfs/dbraw/zinc/95/38/03/763953803.db2.gz LZSKIWNVLQWKSK-ZBFHGGJFSA-N 1 3 313.442 0.012 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)O[C@]2(CCN(CCO)C2)C1 ZINC001131692967 763953805 /nfs/dbraw/zinc/95/38/05/763953805.db2.gz LZSKIWNVLQWKSK-ZBFHGGJFSA-N 1 3 313.442 0.012 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)O[C@@]2(CCN(CCO)C2)C1 ZINC001131692965 763953848 /nfs/dbraw/zinc/95/38/48/763953848.db2.gz LZSKIWNVLQWKSK-GOEBONIOSA-N 1 3 313.442 0.012 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)O[C@@]2(CCN(CCO)C2)C1 ZINC001131692965 763953852 /nfs/dbraw/zinc/95/38/52/763953852.db2.gz LZSKIWNVLQWKSK-GOEBONIOSA-N 1 3 313.442 0.012 20 0 DCADHO CN1CC[C@H](NCCNC(=O)CC[N@H+](C)C2CCCCC2)C1=O ZINC001131822315 764044629 /nfs/dbraw/zinc/04/46/29/764044629.db2.gz MVLSDQUKIQYCEG-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CC[C@H](NCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1=O ZINC001131822315 764044639 /nfs/dbraw/zinc/04/46/39/764044639.db2.gz MVLSDQUKIQYCEG-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@H+](CCC(=O)NCCN[C@H]1CCNC1=O)C1CCCCC1 ZINC001131815831 764054901 /nfs/dbraw/zinc/05/49/01/764054901.db2.gz VPZAFHHIACZIFN-AWEZNQCLSA-N 1 3 310.442 0.235 20 0 DCADHO C[N@@H+](CCC(=O)NCCN[C@H]1CCNC1=O)C1CCCCC1 ZINC001131815831 764054909 /nfs/dbraw/zinc/05/49/09/764054909.db2.gz VPZAFHHIACZIFN-AWEZNQCLSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051776 764509941 /nfs/dbraw/zinc/50/99/41/764509941.db2.gz MHVPVTFYZKAQRZ-NFAWXSAZSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051776 764509943 /nfs/dbraw/zinc/50/99/43/764509943.db2.gz MHVPVTFYZKAQRZ-NFAWXSAZSA-N 1 3 324.469 0.419 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)N(C)CC)C1 ZINC001132738069 764615053 /nfs/dbraw/zinc/61/50/53/764615053.db2.gz VCPBGKQRWUMUMW-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)N(C)CC)C1 ZINC001132738069 764615061 /nfs/dbraw/zinc/61/50/61/764615061.db2.gz VCPBGKQRWUMUMW-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1C ZINC001102532523 764683106 /nfs/dbraw/zinc/68/31/06/764683106.db2.gz QRRACXPSGNHZTG-BPLDGKMQSA-N 1 3 320.437 0.981 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1C ZINC001102532523 764683107 /nfs/dbraw/zinc/68/31/07/764683107.db2.gz QRRACXPSGNHZTG-BPLDGKMQSA-N 1 3 320.437 0.981 20 0 DCADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCCO ZINC001132887088 764709932 /nfs/dbraw/zinc/70/99/32/764709932.db2.gz AUWNLPQSCODJTK-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCO ZINC001132887090 764710829 /nfs/dbraw/zinc/71/08/29/764710829.db2.gz AUWNLPQSCODJTK-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC1CCCC1 ZINC001133051825 764802595 /nfs/dbraw/zinc/80/25/95/764802595.db2.gz QLQXVVYYQHTPEJ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CCO ZINC001133120816 764835002 /nfs/dbraw/zinc/83/50/02/764835002.db2.gz BJJONLZNDLWTBW-CABCVRRESA-N 1 3 311.470 0.785 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285960 764905918 /nfs/dbraw/zinc/90/59/18/764905918.db2.gz PTCCBKYQWMAPNK-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103563 764945619 /nfs/dbraw/zinc/94/56/19/764945619.db2.gz NVBQIQFUKQYWHZ-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103563 764945626 /nfs/dbraw/zinc/94/56/26/764945626.db2.gz NVBQIQFUKQYWHZ-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001103368300 765036717 /nfs/dbraw/zinc/03/67/17/765036717.db2.gz USASVZIRYPNBGU-CBBWQLFWSA-N 1 3 324.469 0.276 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001103368300 765036719 /nfs/dbraw/zinc/03/67/19/765036719.db2.gz USASVZIRYPNBGU-CBBWQLFWSA-N 1 3 324.469 0.276 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)N(C)C(C)C)[NH+](CC)CC ZINC001133685676 765093343 /nfs/dbraw/zinc/09/33/43/765093343.db2.gz ZETYYRDUOPEUJZ-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133689904 765096046 /nfs/dbraw/zinc/09/60/46/765096046.db2.gz FALJOKJTUUYMLH-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819555 765149841 /nfs/dbraw/zinc/14/98/41/765149841.db2.gz GPIJWGZRUXBLJM-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819555 765149844 /nfs/dbraw/zinc/14/98/44/765149844.db2.gz GPIJWGZRUXBLJM-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133833590 765162682 /nfs/dbraw/zinc/16/26/82/765162682.db2.gz ABGDNVKCSYNYPM-HUUCEWRRSA-N 1 3 315.458 0.210 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC001133845459 765178093 /nfs/dbraw/zinc/17/80/93/765178093.db2.gz GIBNDNPWXLJTJK-WBVHZDCISA-N 1 3 319.449 0.638 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849775 765181537 /nfs/dbraw/zinc/18/15/37/765181537.db2.gz DHGCVYDZHHLPMR-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849775 765181540 /nfs/dbraw/zinc/18/15/40/765181540.db2.gz DHGCVYDZHHLPMR-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856553 765182537 /nfs/dbraw/zinc/18/25/37/765182537.db2.gz ITSHTJPEQBOHEX-IAQYHMDHSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856553 765182543 /nfs/dbraw/zinc/18/25/43/765182543.db2.gz ITSHTJPEQBOHEX-IAQYHMDHSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856552 765183154 /nfs/dbraw/zinc/18/31/54/765183154.db2.gz ITSHTJPEQBOHEX-ABAIWWIYSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856552 765183159 /nfs/dbraw/zinc/18/31/59/765183159.db2.gz ITSHTJPEQBOHEX-ABAIWWIYSA-N 1 3 316.421 0.039 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133867409 765192329 /nfs/dbraw/zinc/19/23/29/765192329.db2.gz UFRZVTIVLOUWMG-CABCVRRESA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133867409 765192333 /nfs/dbraw/zinc/19/23/33/765192333.db2.gz UFRZVTIVLOUWMG-CABCVRRESA-N 1 3 324.469 0.148 20 0 DCADHO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN1C)c1nccn12 ZINC001092355702 768271714 /nfs/dbraw/zinc/27/17/14/768271714.db2.gz YRKIAWAPLBKILT-ZIAGYGMSSA-N 1 3 317.437 0.959 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133867590 765194311 /nfs/dbraw/zinc/19/43/11/765194311.db2.gz VSOSLXPPKSREGF-SWLSCSKDSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133867590 765194316 /nfs/dbraw/zinc/19/43/16/765194316.db2.gz VSOSLXPPKSREGF-SWLSCSKDSA-N 1 3 318.421 0.189 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869806 765195633 /nfs/dbraw/zinc/19/56/33/765195633.db2.gz LPYIBZXNPNJDSQ-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869806 765195638 /nfs/dbraw/zinc/19/56/38/765195638.db2.gz LPYIBZXNPNJDSQ-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CCCC[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(N)=O ZINC001133896504 765215606 /nfs/dbraw/zinc/21/56/06/765215606.db2.gz LQAGTCBHFGJMAL-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)N(C)C ZINC001133965776 765259219 /nfs/dbraw/zinc/25/92/19/765259219.db2.gz JPYJIKIULYJXCV-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](COCC(=O)NCCNCc1cnn(C)c1)[NH+]1CCCC1 ZINC001134054699 765313731 /nfs/dbraw/zinc/31/37/31/765313731.db2.gz PRKBITZRQHSHGU-CQSZACIVSA-N 1 3 323.441 0.127 20 0 DCADHO CCC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCCC1)c1nccn12 ZINC001092412316 768301141 /nfs/dbraw/zinc/30/11/41/768301141.db2.gz CMPWHXOCBZBWSA-AWEZNQCLSA-N 1 3 317.437 0.961 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001115000733 765549091 /nfs/dbraw/zinc/54/90/91/765549091.db2.gz LDTYNJBBDKCBHL-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001115000733 765549096 /nfs/dbraw/zinc/54/90/96/765549096.db2.gz LDTYNJBBDKCBHL-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)C1(N(C)C)CCC1 ZINC001134583086 765579571 /nfs/dbraw/zinc/57/95/71/765579571.db2.gz FLFDGOUREBXSOE-UONOGXRCSA-N 1 3 315.458 0.353 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776685 765670595 /nfs/dbraw/zinc/67/05/95/765670595.db2.gz VRVCCKKNDSGUEF-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO COc1ccc(CN[C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)nn1 ZINC001135372820 765908553 /nfs/dbraw/zinc/90/85/53/765908553.db2.gz SZDDTSAHPYBWIA-OLZOCXBDSA-N 1 3 323.441 0.810 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001135510915 765965298 /nfs/dbraw/zinc/96/52/98/765965298.db2.gz IHVBYSFLRXPIHU-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001117980277 766184663 /nfs/dbraw/zinc/18/46/63/766184663.db2.gz GNJQHTCUSYZAGD-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](O)C1 ZINC001090828972 766647794 /nfs/dbraw/zinc/64/77/94/766647794.db2.gz VSBUJXZHHOYNCV-HOTGVXAUSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](O)C1 ZINC001090828972 766647800 /nfs/dbraw/zinc/64/78/00/766647800.db2.gz VSBUJXZHHOYNCV-HOTGVXAUSA-N 1 3 305.422 0.933 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2cnc3n2CCOC3)CC1 ZINC001119609186 766747197 /nfs/dbraw/zinc/74/71/97/766747197.db2.gz LIELJLAJNZRNQH-UHFFFAOYSA-N 1 3 307.442 0.531 20 0 DCADHO CCN1C(=O)CN(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001120255649 766949649 /nfs/dbraw/zinc/94/96/49/766949649.db2.gz LLYCCRGUCQUMIE-IHRRRGAJSA-N 1 3 308.426 0.890 20 0 DCADHO CCC[NH2+]C1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001091151390 766961362 /nfs/dbraw/zinc/96/13/62/766961362.db2.gz WACNCIPIYVZXEZ-UZZMVUAXSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)Cn2cccn2)C[C@@H](C)O1 ZINC001120481206 767032587 /nfs/dbraw/zinc/03/25/87/767032587.db2.gz NMFUEOHUXNLTON-OAGGEKHMSA-N 1 3 310.442 0.723 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001171225909 767049009 /nfs/dbraw/zinc/04/90/09/767049009.db2.gz AZLYNRZBLGIYJG-CQSZACIVSA-N 1 3 319.453 0.767 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001171225909 767049019 /nfs/dbraw/zinc/04/90/19/767049019.db2.gz AZLYNRZBLGIYJG-CQSZACIVSA-N 1 3 319.453 0.767 20 0 DCADHO C[C@H](NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1cnccn1 ZINC001171226406 767049981 /nfs/dbraw/zinc/04/99/81/767049981.db2.gz GLBSAFMRCNDYBK-KBPBESRZSA-N 1 3 305.426 0.975 20 0 DCADHO C[C@H](NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cnccn1 ZINC001171226406 767049989 /nfs/dbraw/zinc/04/99/89/767049989.db2.gz GLBSAFMRCNDYBK-KBPBESRZSA-N 1 3 305.426 0.975 20 0 DCADHO C[C@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001171236560 767096533 /nfs/dbraw/zinc/09/65/33/767096533.db2.gz NOVCFTCESWRWHX-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001120626538 767098474 /nfs/dbraw/zinc/09/84/74/767098474.db2.gz RKAYCLHRKIWRMR-HUUCEWRRSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001120635050 767102559 /nfs/dbraw/zinc/10/25/59/767102559.db2.gz ZEUHWTIIEVJSID-ARFHVFGLSA-N 1 3 324.469 0.759 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H](C)C(=O)N(C)C)CC1 ZINC001146383503 767452393 /nfs/dbraw/zinc/45/23/93/767452393.db2.gz HVVVTBCARCSSCC-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001146718856 767511143 /nfs/dbraw/zinc/51/11/43/767511143.db2.gz IKXKZIRGUFMMEG-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001146718856 767511145 /nfs/dbraw/zinc/51/11/45/767511145.db2.gz IKXKZIRGUFMMEG-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO O=C1CC[C@H](CN2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)N1 ZINC001202819990 768410634 /nfs/dbraw/zinc/41/06/34/768410634.db2.gz AMKQYQQCCYXFFS-HRCADAONSA-N 1 3 300.406 0.724 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ncccc3O)CC[C@@H]2C1 ZINC001138393520 768412340 /nfs/dbraw/zinc/41/23/40/768412340.db2.gz XGUIVRSKTYGTKV-RHSMWYFYSA-N 1 3 321.421 0.956 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ncccc3O)CC[C@@H]2C1 ZINC001138393520 768412344 /nfs/dbraw/zinc/41/23/44/768412344.db2.gz XGUIVRSKTYGTKV-RHSMWYFYSA-N 1 3 321.421 0.956 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204656 768495116 /nfs/dbraw/zinc/49/51/16/768495116.db2.gz YSOWQNOLHFUPIV-HNNXBMFYSA-N 1 3 305.426 0.518 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204656 768495122 /nfs/dbraw/zinc/49/51/22/768495122.db2.gz YSOWQNOLHFUPIV-HNNXBMFYSA-N 1 3 305.426 0.518 20 0 DCADHO C[NH+](C)CCn1c(=O)ccc2c1CCN(Cc1cn[nH]c1)CC2 ZINC001203088342 768562769 /nfs/dbraw/zinc/56/27/69/768562769.db2.gz BDMLMSXIDAJTPH-UHFFFAOYSA-N 1 3 315.421 0.734 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847408 768819768 /nfs/dbraw/zinc/81/97/68/768819768.db2.gz FSEOPPVAHGBLIB-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847408 768819786 /nfs/dbraw/zinc/81/97/86/768819786.db2.gz FSEOPPVAHGBLIB-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847406 768881010 /nfs/dbraw/zinc/88/10/10/768881010.db2.gz FSEOPPVAHGBLIB-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847406 768881022 /nfs/dbraw/zinc/88/10/22/768881022.db2.gz FSEOPPVAHGBLIB-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779803 769184712 /nfs/dbraw/zinc/18/47/12/769184712.db2.gz VXSICNMOAIQIFD-HNNXBMFYSA-N 1 3 315.458 0.570 20 0 DCADHO COCCC[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779803 769184720 /nfs/dbraw/zinc/18/47/20/769184720.db2.gz VXSICNMOAIQIFD-HNNXBMFYSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N1CCCCC1 ZINC001171758256 769368835 /nfs/dbraw/zinc/36/88/35/769368835.db2.gz VBRYMIGSECLIAP-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO COCCCN1CCC([NH2+]C2CN(c3ncccn3)C2)CC1 ZINC001172246540 769464189 /nfs/dbraw/zinc/46/41/89/769464189.db2.gz MOJXFXWARITGBM-UHFFFAOYSA-N 1 3 305.426 0.756 20 0 DCADHO COCCCN1CCC([NH2+]CC(=O)NCC(F)(F)F)CC1 ZINC001172249779 769465929 /nfs/dbraw/zinc/46/59/29/769465929.db2.gz OWCIPTZHPRDODE-UHFFFAOYSA-N 1 3 311.348 0.755 20 0 DCADHO COCCCN1CCC([N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CC1 ZINC001172255901 769467031 /nfs/dbraw/zinc/46/70/31/769467031.db2.gz NTKGODVWFBCFSK-UHFFFAOYSA-N 1 3 322.409 0.747 20 0 DCADHO COCCCN1CCC([N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CC1 ZINC001172255901 769467035 /nfs/dbraw/zinc/46/70/35/769467035.db2.gz NTKGODVWFBCFSK-UHFFFAOYSA-N 1 3 322.409 0.747 20 0 DCADHO COCCC[NH+]1CCC(N2CCC3(CNC(=O)N3)CC2)CC1 ZINC001172254886 769467057 /nfs/dbraw/zinc/46/70/57/769467057.db2.gz ZHMVQODHNBGZRB-UHFFFAOYSA-N 1 3 310.442 0.635 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)c1 ZINC001152245687 769514596 /nfs/dbraw/zinc/51/45/96/769514596.db2.gz KRPWIBNIBZQYKH-OAHLLOKOSA-N 1 3 318.421 0.346 20 0 DCADHO CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCCN1CC)C(N)=O ZINC001152458559 769565414 /nfs/dbraw/zinc/56/54/14/769565414.db2.gz QPYZNJLRVQHVTM-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCOCC(F)F ZINC001152457785 769565764 /nfs/dbraw/zinc/56/57/64/769565764.db2.gz IELKHWIMZNNJNG-LBPRGKRZSA-N 1 3 307.385 0.848 20 0 DCADHO CO[C@@H](C)CN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195412 769637176 /nfs/dbraw/zinc/63/71/76/769637176.db2.gz ZXJXMQYNMZEIAW-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@H]2CCC[N@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173564919 769655956 /nfs/dbraw/zinc/65/59/56/769655956.db2.gz MXZGUBUXNFVLGF-XDQVBPFNSA-N 1 3 312.410 0.801 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173564919 769655962 /nfs/dbraw/zinc/65/59/62/769655962.db2.gz MXZGUBUXNFVLGF-XDQVBPFNSA-N 1 3 312.410 0.801 20 0 DCADHO CCOC(=O)[C@H]1CC[C@H](CN2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001235050415 769750087 /nfs/dbraw/zinc/75/00/87/769750087.db2.gz CYXDUQFHQLTLOG-ZOBUZTSGSA-N 1 3 309.454 0.993 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CCCC[NH+]2CCCC2)C1=O ZINC001153314285 769781837 /nfs/dbraw/zinc/78/18/37/769781837.db2.gz HPDCXSPXZZZTKD-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001174691505 769782072 /nfs/dbraw/zinc/78/20/72/769782072.db2.gz MWQRYVFPCABHGM-CQSZACIVSA-N 1 3 324.425 0.552 20 0 DCADHO C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1CCCC[NH3+] ZINC001235616233 769913729 /nfs/dbraw/zinc/91/37/29/769913729.db2.gz SIZYDJGSISAORN-OAHLLOKOSA-N 1 3 320.485 0.746 20 0 DCADHO C[C@@H]([NH3+])CN1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001235630804 769918648 /nfs/dbraw/zinc/91/86/48/769918648.db2.gz UZNSICLHEXRAJG-DJIMGWMZSA-N 1 3 304.438 0.952 20 0 DCADHO CN1CCC=C(n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)C1 ZINC001175575246 769930211 /nfs/dbraw/zinc/93/02/11/769930211.db2.gz QAJXTTUQNDXXAE-UHFFFAOYSA-N 1 3 317.437 0.480 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnnn1C ZINC001175769677 769959813 /nfs/dbraw/zinc/95/98/13/769959813.db2.gz UMSARHYEUKXKCY-AWEZNQCLSA-N 1 3 324.473 0.922 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cncc([O-])c3)C[C@H]1C2 ZINC001236029187 769970315 /nfs/dbraw/zinc/97/03/15/769970315.db2.gz JRACPLVWTYRDQF-JWDQPFGJSA-N 1 3 317.389 0.618 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cncc([O-])c3)C[C@H]1C2 ZINC001236029187 769970318 /nfs/dbraw/zinc/97/03/18/769970318.db2.gz JRACPLVWTYRDQF-JWDQPFGJSA-N 1 3 317.389 0.618 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3ccns3)C[C@H]1C2 ZINC001236026906 769970570 /nfs/dbraw/zinc/97/05/70/769970570.db2.gz GZBDDNWLNDQLFS-ZRQNBYAXSA-N 1 3 307.419 0.974 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCN(C)CCOCCO)C1 ZINC001175821407 769976122 /nfs/dbraw/zinc/97/61/22/769976122.db2.gz BSAMEGSTGGUQKG-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)NCCN(C)CCOCCO)C1 ZINC001175821407 769976126 /nfs/dbraw/zinc/97/61/26/769976126.db2.gz BSAMEGSTGGUQKG-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001150546847 769999790 /nfs/dbraw/zinc/99/97/90/769999790.db2.gz KAKHVWRTGKXSQB-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001150546847 769999796 /nfs/dbraw/zinc/99/97/96/769999796.db2.gz KAKHVWRTGKXSQB-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO CN1[C@@H]2CCC[C@H]1C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001238712962 770125687 /nfs/dbraw/zinc/12/56/87/770125687.db2.gz GDMQVZJJJYNGOK-QKDCVEJESA-N 1 3 315.483 0.921 20 0 DCADHO NCCS(=O)(=O)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001238869463 770138431 /nfs/dbraw/zinc/13/84/31/770138431.db2.gz GVYNUIHXZJJLIK-UHFFFAOYSA-N 1 3 301.387 0.283 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1cccc2cnccc21 ZINC001238878613 770140034 /nfs/dbraw/zinc/14/00/34/770140034.db2.gz IRZBSYVBQURJIG-UHFFFAOYSA-N 1 3 322.434 0.842 20 0 DCADHO NCCS(=O)(=O)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001239016212 770166262 /nfs/dbraw/zinc/16/62/62/770166262.db2.gz GBNRDOBMPZDLNQ-SECBINFHSA-N 1 3 315.361 0.281 20 0 DCADHO NCCS(=O)(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001239027471 770169044 /nfs/dbraw/zinc/16/90/44/770169044.db2.gz CFVDVGAZKNCBTO-VIFPVBQESA-N 1 3 315.361 0.424 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986021 770272455 /nfs/dbraw/zinc/27/24/55/770272455.db2.gz BINLAHYLPNIPHP-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001176986748 770274174 /nfs/dbraw/zinc/27/41/74/770274174.db2.gz VDKVKSOCHZEMFE-ZDUSSCGKSA-N 1 3 321.487 0.103 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001155821990 770629483 /nfs/dbraw/zinc/62/94/83/770629483.db2.gz FZVMHNFMRPMYBM-JSGCOSHPSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cc(CN)nn1-c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001156044895 770702358 /nfs/dbraw/zinc/70/23/58/770702358.db2.gz VEDCMZZPTGJRKD-UHFFFAOYSA-N 1 3 302.382 0.808 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730982 770847919 /nfs/dbraw/zinc/84/79/19/770847919.db2.gz IPKGJEQUFBUBNO-RQJABVFESA-N 1 3 310.442 0.042 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730982 770847926 /nfs/dbraw/zinc/84/79/26/770847926.db2.gz IPKGJEQUFBUBNO-RQJABVFESA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C)N(C)C ZINC001178985243 770922893 /nfs/dbraw/zinc/92/28/93/770922893.db2.gz AIXRYLGEJCFAKV-XDQVBPFNSA-N 1 3 312.458 0.382 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(N)=O ZINC001179303491 770983764 /nfs/dbraw/zinc/98/37/64/770983764.db2.gz FDGFTHPKBJROFU-ZQDZILKHSA-N 1 3 324.469 0.704 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001179851004 771024132 /nfs/dbraw/zinc/02/41/32/771024132.db2.gz QPJARCAGQGOERT-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180131585 771060874 /nfs/dbraw/zinc/06/08/74/771060874.db2.gz HHHQYJAWBNEXEV-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)C1=O ZINC001180226896 771078258 /nfs/dbraw/zinc/07/82/58/771078258.db2.gz SAIMYXHPIKCSDE-KKUMJFAQSA-N 1 3 324.469 0.526 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369635 771114351 /nfs/dbraw/zinc/11/43/51/771114351.db2.gz PZOZDNUKOJVZES-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001181652997 771326247 /nfs/dbraw/zinc/32/62/47/771326247.db2.gz STEBKZXQKZWTRK-VXGBXAGGSA-N 1 3 305.369 0.553 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001181653345 771326560 /nfs/dbraw/zinc/32/65/60/771326560.db2.gz YIKFSODKAIQTSG-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001181652117 771326957 /nfs/dbraw/zinc/32/69/57/771326957.db2.gz JJXKUSRCHMXMMB-KGLIPLIRSA-N 1 3 321.425 0.595 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001151066141 771358290 /nfs/dbraw/zinc/35/82/90/771358290.db2.gz QUUVRYFFNZOHSR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001151066141 771358293 /nfs/dbraw/zinc/35/82/93/771358293.db2.gz QUUVRYFFNZOHSR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCC(O)(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001182036776 771393002 /nfs/dbraw/zinc/39/30/02/771393002.db2.gz XAULDKIDGQSJFL-UHFFFAOYSA-N 1 3 318.421 0.623 20 0 DCADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)C1(O)CCN(C)CC1 ZINC001182037056 771393176 /nfs/dbraw/zinc/39/31/76/771393176.db2.gz SQMNFJZCLYRXKZ-UHFFFAOYSA-N 1 3 318.421 0.928 20 0 DCADHO CN1CCN(c2ccc(NCC[NH+]3CCSCC3)nn2)CC1 ZINC001157043553 771522782 /nfs/dbraw/zinc/52/27/82/771522782.db2.gz AZKUBISMLVZEIG-UHFFFAOYSA-N 1 3 322.482 0.689 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183040625 771595675 /nfs/dbraw/zinc/59/56/75/771595675.db2.gz UZNYEDQSOLIMNG-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183040625 771595682 /nfs/dbraw/zinc/59/56/82/771595682.db2.gz UZNYEDQSOLIMNG-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)C(=O)Cc1c[nH]c2ccccc12 ZINC001183098591 771608096 /nfs/dbraw/zinc/60/80/96/771608096.db2.gz VXLHRDYIYURLTN-UHFFFAOYSA-N 1 3 315.377 0.740 20 0 DCADHO CN1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@H](c2ccccc2)C1 ZINC001157495022 771620042 /nfs/dbraw/zinc/62/00/42/771620042.db2.gz DFEJPCMBZVZEHX-JKSUJKDBSA-N 1 3 314.433 0.311 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001183228865 771621790 /nfs/dbraw/zinc/62/17/90/771621790.db2.gz YGDRMBACBZHPQT-CKEIUWERSA-N 1 3 324.469 0.291 20 0 DCADHO N[C@@H](Cc1ccnc2ccccc12)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544596 771629541 /nfs/dbraw/zinc/62/95/41/771629541.db2.gz FTCRQZPCLBNDQG-RDBSUJKOSA-N 1 3 302.353 0.612 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1)C1CC1 ZINC001183267299 771630961 /nfs/dbraw/zinc/63/09/61/771630961.db2.gz MLAGTFCYDWYPEH-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288466 771632314 /nfs/dbraw/zinc/63/23/14/771632314.db2.gz JIBBLWSCHHBTLU-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157590325 771637884 /nfs/dbraw/zinc/63/78/84/771637884.db2.gz FKHSEXBQDBTCAS-MRXNPFEDSA-N 1 3 308.470 0.615 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001157610337 771640585 /nfs/dbraw/zinc/64/05/85/771640585.db2.gz YKWZDHXKNSKKMJ-ZGRWHYIRSA-N 1 3 316.449 0.910 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001157717186 771658476 /nfs/dbraw/zinc/65/84/76/771658476.db2.gz YASLZMHNSDNCTH-KFWWJZLASA-N 1 3 304.394 0.179 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)c1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC001157721259 771658531 /nfs/dbraw/zinc/65/85/31/771658531.db2.gz WEXMIKOQFJFKFJ-HZPDHXFCSA-N 1 3 319.405 0.488 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730525 771660371 /nfs/dbraw/zinc/66/03/71/771660371.db2.gz LERFJLOYQJQHAJ-NEPJUHHUSA-N 1 3 307.385 0.664 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1)N(C)C ZINC001183582052 771670662 /nfs/dbraw/zinc/67/06/62/771670662.db2.gz PVIVOKXBOLXAKW-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@]1(CF)CC(F)(F)CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157951968 771701285 /nfs/dbraw/zinc/70/12/85/771701285.db2.gz JGYRYTJLRATPAH-RAIGVLPGSA-N 1 3 305.344 0.781 20 0 DCADHO O=C(c1csc2c1CCNC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178747 771735054 /nfs/dbraw/zinc/73/50/54/771735054.db2.gz BMNFGQBZKUNVBB-ZWNOBZJWSA-N 1 3 307.419 0.454 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197090 771738788 /nfs/dbraw/zinc/73/87/88/771738788.db2.gz RZDARINDXGCEJM-HNNXBMFYSA-N 1 3 319.453 0.841 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197092 771738817 /nfs/dbraw/zinc/73/88/17/771738817.db2.gz RZDARINDXGCEJM-OAHLLOKOSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@](N)(CO)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241191 771745154 /nfs/dbraw/zinc/74/51/54/771745154.db2.gz SJYMNHXLEGILDF-ONGXEEELSA-N 1 3 309.332 0.372 20 0 DCADHO [NH3+][C@H]1CCN(C2CCN(c3ncnc4c3CCNC4)CC2)C1 ZINC001158258876 771747739 /nfs/dbraw/zinc/74/77/39/771747739.db2.gz KYLKFZQZGBYKBU-LBPRGKRZSA-N 1 3 302.426 0.124 20 0 DCADHO O=C([C@H]1C[NH2+]C[C@@H](O)C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158326974 771759322 /nfs/dbraw/zinc/75/93/22/771759322.db2.gz CHISKNJEEYJSDC-BFJAYTPKSA-N 1 3 301.390 0.055 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421954 771771911 /nfs/dbraw/zinc/77/19/11/771771911.db2.gz GWWZQPVZKWMTJT-PMPSAXMXSA-N 1 3 303.406 0.754 20 0 DCADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158535529 771787215 /nfs/dbraw/zinc/78/72/15/771787215.db2.gz WYDSNJGZBUESMM-XNJGSVPQSA-N 1 3 321.421 0.415 20 0 DCADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158535529 771787217 /nfs/dbraw/zinc/78/72/17/771787217.db2.gz WYDSNJGZBUESMM-XNJGSVPQSA-N 1 3 321.421 0.415 20 0 DCADHO [NH3+]C1([C@H]2CN(C(=O)c3cncc4c3CCNC4)C[C@@H]2CF)CC1 ZINC001158582766 771792723 /nfs/dbraw/zinc/79/27/23/771792723.db2.gz OMAFDFPNEWNUAQ-NHYWBVRUSA-N 1 3 318.396 0.876 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1)C(N)=O ZINC001184560477 771798882 /nfs/dbraw/zinc/79/88/82/771798882.db2.gz SCSAOWKQEDPTAS-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)CN1CCCC12CCN(C(=O)C1CC[NH2+]CC1)CC2 ZINC001158890782 771831593 /nfs/dbraw/zinc/83/15/93/771831593.db2.gz NACFRBODEZLLOL-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001185090902 771860088 /nfs/dbraw/zinc/86/00/88/771860088.db2.gz QYOKSEMCADZPGS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001185090902 771860091 /nfs/dbraw/zinc/86/00/91/771860091.db2.gz QYOKSEMCADZPGS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001185158657 771870629 /nfs/dbraw/zinc/87/06/29/771870629.db2.gz UAEXJWOJUMUTBK-KCQAQPDRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001185158657 771870633 /nfs/dbraw/zinc/87/06/33/771870633.db2.gz UAEXJWOJUMUTBK-KCQAQPDRSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1cccc(N(C(=O)[C@@H](N)CN)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159340677 771899078 /nfs/dbraw/zinc/89/90/78/771899078.db2.gz XKOJRLQTEQNRQC-HLLBOEOZSA-N 1 3 318.421 0.135 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC1CC1 ZINC001185384348 771909523 /nfs/dbraw/zinc/90/95/23/771909523.db2.gz BYIZUSJWXDEZDH-IUODEOHRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](Nc1ccc(OC2CC[NH2+]CC2)nn1)[C@H]1CNCCO1 ZINC001159502762 771921034 /nfs/dbraw/zinc/92/10/34/771921034.db2.gz OMXXXMWAIVWSHY-WCQYABFASA-N 1 3 307.398 0.396 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650342 771939137 /nfs/dbraw/zinc/93/91/37/771939137.db2.gz GYKFEQSRSFYNMT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650342 771939138 /nfs/dbraw/zinc/93/91/38/771939138.db2.gz GYKFEQSRSFYNMT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001185731169 771950658 /nfs/dbraw/zinc/95/06/58/771950658.db2.gz OQCVTRJSUCAUMW-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCc2cnn(C)c2)CCC1 ZINC001159854901 771969150 /nfs/dbraw/zinc/96/91/50/771969150.db2.gz WLFHIXHMFOWTHO-UHFFFAOYSA-N 1 3 307.442 0.543 20 0 DCADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001159863121 771969737 /nfs/dbraw/zinc/96/97/37/771969737.db2.gz NOOZLXLUYRBFFR-OLZOCXBDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C1CC1 ZINC001159931426 771979300 /nfs/dbraw/zinc/97/93/00/771979300.db2.gz CKXYXLBIAZBNEH-MLGOLLRUSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)C1=O ZINC001159931488 771980069 /nfs/dbraw/zinc/98/00/69/771980069.db2.gz DVURCYQZWIRFLA-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO N[C@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160531288 772059975 /nfs/dbraw/zinc/05/99/75/772059975.db2.gz YKFVVILENMFWAC-CVEARBPZSA-N 1 3 303.406 0.913 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2ncccc2C1 ZINC001160549380 772063929 /nfs/dbraw/zinc/06/39/29/772063929.db2.gz VWBYAHNZTFNSKK-OAHLLOKOSA-N 1 3 300.406 0.841 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2ncccc2C1 ZINC001160549380 772063934 /nfs/dbraw/zinc/06/39/34/772063934.db2.gz VWBYAHNZTFNSKK-OAHLLOKOSA-N 1 3 300.406 0.841 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2ncccc2C1 ZINC001160549379 772064081 /nfs/dbraw/zinc/06/40/81/772064081.db2.gz VWBYAHNZTFNSKK-HNNXBMFYSA-N 1 3 300.406 0.841 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2ncccc2C1 ZINC001160549379 772064088 /nfs/dbraw/zinc/06/40/88/772064088.db2.gz VWBYAHNZTFNSKK-HNNXBMFYSA-N 1 3 300.406 0.841 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2nccc3occc32)CC1 ZINC001160588706 772073182 /nfs/dbraw/zinc/07/31/82/772073182.db2.gz FORLVOPHRQEVPF-CYBMUJFWSA-N 1 3 317.393 0.543 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001186825044 772096806 /nfs/dbraw/zinc/09/68/06/772096806.db2.gz WQHAPESMIRTWTI-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001186825044 772096812 /nfs/dbraw/zinc/09/68/12/772096812.db2.gz WQHAPESMIRTWTI-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001160834368 772118055 /nfs/dbraw/zinc/11/80/55/772118055.db2.gz ZGHQEHCXGLHZTE-MRVPVSSYSA-N 1 3 305.304 0.379 20 0 DCADHO CN(Cc1ccc(F)cc1F)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160874927 772130915 /nfs/dbraw/zinc/13/09/15/772130915.db2.gz IJFZXPRSXRKZHY-LBPRGKRZSA-N 1 3 303.378 0.942 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCCCCn1cncn1)N(C)C ZINC001160889481 772133027 /nfs/dbraw/zinc/13/30/27/772133027.db2.gz KPHWVLUBNYJXOF-OAHLLOKOSA-N 1 3 324.473 0.885 20 0 DCADHO N[C@H](C(=O)N1CCOC[C@H]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161143616 772175368 /nfs/dbraw/zinc/17/53/68/772175368.db2.gz BJKNMSSJCQKZHK-SJORKVTESA-N 1 3 317.433 0.783 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC2=CC[N@H+](CCO)CC2)C1 ZINC001161220220 772185669 /nfs/dbraw/zinc/18/56/69/772185669.db2.gz ZCLXXZPZMLSKLS-UHFFFAOYSA-N 1 3 309.454 0.849 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC2=CC[N@@H+](CCO)CC2)C1 ZINC001161220220 772185672 /nfs/dbraw/zinc/18/56/72/772185672.db2.gz ZCLXXZPZMLSKLS-UHFFFAOYSA-N 1 3 309.454 0.849 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234658 772187729 /nfs/dbraw/zinc/18/77/29/772187729.db2.gz FTFZRINWHVUYFO-KGLIPLIRSA-N 1 3 308.430 0.501 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161251537 772190835 /nfs/dbraw/zinc/19/08/35/772190835.db2.gz RTUZXZJYIGHUTO-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO Cc1cc(F)cc(CN(C(=O)[C@@H](O)CN)C2CC[NH2+]CC2)c1 ZINC001161281622 772196208 /nfs/dbraw/zinc/19/62/08/772196208.db2.gz JZHUCLQXFSANJU-HNNXBMFYSA-N 1 3 309.385 0.534 20 0 DCADHO Cc1cccnc1O[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161394158 772216586 /nfs/dbraw/zinc/21/65/86/772216586.db2.gz KSXIZJVKFUUTRA-KBPBESRZSA-N 1 3 306.410 0.826 20 0 DCADHO CNc1cc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC001161449059 772225196 /nfs/dbraw/zinc/22/51/96/772225196.db2.gz JLRJEVKKFJONMU-GFCCVEGCSA-N 1 3 308.430 0.218 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001187818965 772229341 /nfs/dbraw/zinc/22/93/41/772229341.db2.gz VQHXJYKUYGEPGB-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001187818965 772229343 /nfs/dbraw/zinc/22/93/43/772229343.db2.gz VQHXJYKUYGEPGB-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001188106611 772266976 /nfs/dbraw/zinc/26/69/76/772266976.db2.gz OQFNBOSYRYOCLV-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001188158757 772277012 /nfs/dbraw/zinc/27/70/12/772277012.db2.gz XHWVWGNFAFVROB-KGLIPLIRSA-N 1 3 320.441 0.296 20 0 DCADHO C[NH+]1CCC(COc2cnc(-n3nccc3CN)nc2)CC1 ZINC001162590612 772394866 /nfs/dbraw/zinc/39/48/66/772394866.db2.gz DJXTXYNCBIDDJJ-UHFFFAOYSA-N 1 3 302.382 0.842 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127294 772426421 /nfs/dbraw/zinc/42/64/21/772426421.db2.gz SARLSHURZHCYHI-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127294 772426424 /nfs/dbraw/zinc/42/64/24/772426424.db2.gz SARLSHURZHCYHI-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO CN1CCN(c2ccc(N[C@]34CC[NH2+][C@H]3CC(=O)N4)cc2)CC1 ZINC001163247434 772490146 /nfs/dbraw/zinc/49/01/46/772490146.db2.gz DPNNTTGAIVXWDJ-RDJZCZTQSA-N 1 3 315.421 0.428 20 0 DCADHO CN1CCN(c2ccc(N[C@]34CC[NH2+][C@@H]3CC(=O)N4)cc2)CC1 ZINC001163247436 772490654 /nfs/dbraw/zinc/49/06/54/772490654.db2.gz DPNNTTGAIVXWDJ-WBVHZDCISA-N 1 3 315.421 0.428 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189669321 772510362 /nfs/dbraw/zinc/51/03/62/772510362.db2.gz WQCIPHVHZUOBJL-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189669321 772510364 /nfs/dbraw/zinc/51/03/64/772510364.db2.gz WQCIPHVHZUOBJL-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001205549520 772718169 /nfs/dbraw/zinc/71/81/69/772718169.db2.gz WNJPDFOZRYDVKH-LBPRGKRZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001165502204 772743573 /nfs/dbraw/zinc/74/35/73/772743573.db2.gz YLHFZXGEXQAZQA-LBPRGKRZSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001165728731 772758423 /nfs/dbraw/zinc/75/84/23/772758423.db2.gz SCBXVPMCYPCBHV-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1ccccc1NC(=O)CNCCCNC(=O)CC[NH+](C)C ZINC001165794172 772763358 /nfs/dbraw/zinc/76/33/58/772763358.db2.gz LHQUXDSXSOAKQR-UHFFFAOYSA-N 1 3 320.437 0.981 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001166004269 772778145 /nfs/dbraw/zinc/77/81/45/772778145.db2.gz ICLXUUSAYBLWLX-OAHLLOKOSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001166004325 772778210 /nfs/dbraw/zinc/77/82/10/772778210.db2.gz LKRFFKXOJJMGIY-OAHLLOKOSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001166626128 772830348 /nfs/dbraw/zinc/83/03/48/772830348.db2.gz BFOJFUHYBGSAOH-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001166633562 772832482 /nfs/dbraw/zinc/83/24/82/772832482.db2.gz HDRYHKWEPZUJKY-CYBMUJFWSA-N 1 3 321.425 0.565 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001166633562 772832485 /nfs/dbraw/zinc/83/24/85/772832485.db2.gz HDRYHKWEPZUJKY-CYBMUJFWSA-N 1 3 321.425 0.565 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001166667447 772836314 /nfs/dbraw/zinc/83/63/14/772836314.db2.gz BJOYNKFVAHSPOB-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001166676762 772838642 /nfs/dbraw/zinc/83/86/42/772838642.db2.gz BWOLGUNTQDZOKD-STQMWFEESA-N 1 3 319.396 0.848 20 0 DCADHO Cc1nccnc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677916 772839332 /nfs/dbraw/zinc/83/93/32/772839332.db2.gz QHDXRQNBXXUBMO-ZDUSSCGKSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@@H](O)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687023 772840316 /nfs/dbraw/zinc/84/03/16/772840316.db2.gz HHSPEHOUCILZOX-DOMZBBRYSA-N 1 3 303.422 0.676 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001166858381 772871390 /nfs/dbraw/zinc/87/13/90/772871390.db2.gz SGBLUGILTCQJSO-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CN(C)C(=O)CN1CCO[C@@H]2CN(Cc3ccco3)CC[C@@H]2C1 ZINC001203277036 772903685 /nfs/dbraw/zinc/90/36/85/772903685.db2.gz OLGPZDIZKXPFKI-GDBMZVCRSA-N 1 3 321.421 0.891 20 0 DCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](Cc3ccco3)CC[C@@H]2C1 ZINC001203277036 772903687 /nfs/dbraw/zinc/90/36/87/772903687.db2.gz OLGPZDIZKXPFKI-GDBMZVCRSA-N 1 3 321.421 0.891 20 0 DCADHO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](Cc3ccco3)CC[C@@H]2C1 ZINC001203277036 772903689 /nfs/dbraw/zinc/90/36/89/772903689.db2.gz OLGPZDIZKXPFKI-GDBMZVCRSA-N 1 3 321.421 0.891 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705467 772920338 /nfs/dbraw/zinc/92/03/38/772920338.db2.gz WRANEMNZGQGZEY-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793626 772924618 /nfs/dbraw/zinc/92/46/18/772924618.db2.gz SHHSJUWWIYEIMP-STQMWFEESA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001204797734 772962001 /nfs/dbraw/zinc/96/20/01/772962001.db2.gz BATIKWPIPBKTGP-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001205457482 772993874 /nfs/dbraw/zinc/99/38/74/772993874.db2.gz ANPBNASVWSMSGW-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC)CC1)N(C)C ZINC001205516338 772997514 /nfs/dbraw/zinc/99/75/14/772997514.db2.gz ZQNCEBJBPHYFDY-GXTWGEPZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001206274245 773061885 /nfs/dbraw/zinc/06/18/85/773061885.db2.gz FWIVODQHNFSXFE-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO CCCNC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401333 773073290 /nfs/dbraw/zinc/07/32/90/773073290.db2.gz GVDAIROEZDJRKP-UHFFFAOYSA-N 1 3 321.425 0.307 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001206410218 773074337 /nfs/dbraw/zinc/07/43/37/773074337.db2.gz KBNYYKNZNVUPLC-UHFFFAOYSA-N 1 3 317.397 0.072 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001206953420 773147050 /nfs/dbraw/zinc/14/70/50/773147050.db2.gz JJFQJONYZBCQOA-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001206954467 773147666 /nfs/dbraw/zinc/14/76/66/773147666.db2.gz KEGHNKJTLNRBMX-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O)c1cc[nH+]cc1 ZINC001194290431 773178341 /nfs/dbraw/zinc/17/83/41/773178341.db2.gz XCJDSHQWAUPZMQ-HZPDHXFCSA-N 1 3 318.421 0.479 20 0 DCADHO COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207649787 773255727 /nfs/dbraw/zinc/25/57/27/773255727.db2.gz HBUIJDHBKGKEAH-TUVASFSCSA-N 1 3 315.458 0.016 20 0 DCADHO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207649787 773255732 /nfs/dbraw/zinc/25/57/32/773255732.db2.gz HBUIJDHBKGKEAH-TUVASFSCSA-N 1 3 315.458 0.016 20 0 DCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(CC[NH+](C)C)C2)CC1 ZINC001208125540 773403540 /nfs/dbraw/zinc/40/35/40/773403540.db2.gz DRDNWYLWRIGYSV-INIZCTEOSA-N 1 3 320.485 0.124 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334978 773435874 /nfs/dbraw/zinc/43/58/74/773435874.db2.gz PIZFJNOJHFRINN-DZGCQCFKSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918816 773539285 /nfs/dbraw/zinc/53/92/85/773539285.db2.gz KWUCMGXVOQKDAC-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001209446757 773606475 /nfs/dbraw/zinc/60/64/75/773606475.db2.gz UVGNFVKRIAAGGJ-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001209474325 773609266 /nfs/dbraw/zinc/60/92/66/773609266.db2.gz HFWWABUJQLNYCQ-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209632263 773627314 /nfs/dbraw/zinc/62/73/14/773627314.db2.gz LUXQWJOTINZEFL-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCOCCOC)C1 ZINC001210217695 773685840 /nfs/dbraw/zinc/68/58/40/773685840.db2.gz LNSVMZLKIVMGHT-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001210220889 773687484 /nfs/dbraw/zinc/68/74/84/773687484.db2.gz YKHJNGCJYNBPKV-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210284505 773695018 /nfs/dbraw/zinc/69/50/18/773695018.db2.gz VBRFHKFMECSVEW-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001210493889 773714049 /nfs/dbraw/zinc/71/40/49/773714049.db2.gz OUFHUTRHALSNIN-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001210493889 773714052 /nfs/dbraw/zinc/71/40/52/773714052.db2.gz OUFHUTRHALSNIN-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673969 773729035 /nfs/dbraw/zinc/72/90/35/773729035.db2.gz KRGOVRSSIOZUTI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673969 773729037 /nfs/dbraw/zinc/72/90/37/773729037.db2.gz KRGOVRSSIOZUTI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](NCc2ccccn2)C1 ZINC001210677745 773729838 /nfs/dbraw/zinc/72/98/38/773729838.db2.gz OMVNWEZEAMZORD-INIZCTEOSA-N 1 3 320.437 0.740 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001210796170 773740771 /nfs/dbraw/zinc/74/07/71/773740771.db2.gz DPGMKDSPZSZKFB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001210796170 773740775 /nfs/dbraw/zinc/74/07/75/773740775.db2.gz DPGMKDSPZSZKFB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211257330 773786558 /nfs/dbraw/zinc/78/65/58/773786558.db2.gz QWTVVEWOZYAJHV-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1CN(C)C)C(N)=O ZINC001152384609 773833198 /nfs/dbraw/zinc/83/31/98/773833198.db2.gz UOZGJZFTAZSKSW-CQSZACIVSA-N 1 3 306.410 0.332 20 0 DCADHO CO[C@@H]1CN(CC[C@@H](C)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348709 773837020 /nfs/dbraw/zinc/83/70/20/773837020.db2.gz SJOGVWIJSMBBCE-MGPQQGTHSA-N 1 3 303.422 0.892 20 0 DCADHO CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638236 773869530 /nfs/dbraw/zinc/86/95/30/773869530.db2.gz FLSCSVZHXZTIGM-HUUCEWRRSA-N 1 3 313.442 0.321 20 0 DCADHO COCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213718898 773880967 /nfs/dbraw/zinc/88/09/67/773880967.db2.gz FNRJMXDAHLKYHT-RRFJBIMHSA-N 1 3 313.442 0.180 20 0 DCADHO COCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213718898 773880973 /nfs/dbraw/zinc/88/09/73/773880973.db2.gz FNRJMXDAHLKYHT-RRFJBIMHSA-N 1 3 313.442 0.180 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001152433184 773893403 /nfs/dbraw/zinc/89/34/03/773893403.db2.gz WPRGGYKEXIWVCW-UHFFFAOYSA-N 1 3 310.446 0.494 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC001152439826 773904074 /nfs/dbraw/zinc/90/40/74/773904074.db2.gz RSVQCKDXHACUCC-UHFFFAOYSA-N 1 3 318.425 0.514 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c(C)nc2ncccn21 ZINC001198755986 773976312 /nfs/dbraw/zinc/97/63/12/773976312.db2.gz JDHAHQYQIMWYPH-UHFFFAOYSA-N 1 3 317.397 0.715 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1ccnn1C ZINC001215414100 774071256 /nfs/dbraw/zinc/07/12/56/774071256.db2.gz SHJXEPBQHXWEFI-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215993913 774097443 /nfs/dbraw/zinc/09/74/43/774097443.db2.gz ICAYMHVWNKMJIY-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1nccn1CCOC ZINC001199410948 774112352 /nfs/dbraw/zinc/11/23/52/774112352.db2.gz RIWSOPJSICUETH-UHFFFAOYSA-N 1 3 310.402 0.207 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754533 774133623 /nfs/dbraw/zinc/13/36/23/774133623.db2.gz ZQEWNKUIFPXAEK-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754533 774133626 /nfs/dbraw/zinc/13/36/26/774133626.db2.gz ZQEWNKUIFPXAEK-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846488 774142342 /nfs/dbraw/zinc/14/23/42/774142342.db2.gz HQMWBMQUNUTHKD-IIAWOOMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001216852271 774143159 /nfs/dbraw/zinc/14/31/59/774143159.db2.gz TWRIDKBUZLWEEA-ZIAGYGMSSA-N 1 3 308.430 0.055 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788104 774198652 /nfs/dbraw/zinc/19/86/52/774198652.db2.gz LOKDRLTXQCDSDS-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)CC[NH2+]1 ZINC001218052222 774210819 /nfs/dbraw/zinc/21/08/19/774210819.db2.gz KBUSHHQMYKOUGU-BNOWGMLFSA-N 1 3 321.421 0.870 20 0 DCADHO C[C@H]1C[C@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)CC[NH2+]1 ZINC001218052229 774211131 /nfs/dbraw/zinc/21/11/31/774211131.db2.gz KBUSHHQMYKOUGU-YUTCNCBUSA-N 1 3 321.421 0.870 20 0 DCADHO c1cc(O[C@@H]2CCO[C@]23CC[NH2+]C3)n2nc3c(c2n1)CNCC3 ZINC001218138998 774214214 /nfs/dbraw/zinc/21/42/14/774214214.db2.gz REMBWMXEDOFGSA-CJNGLKHVSA-N 1 3 315.377 0.275 20 0 DCADHO O=C(Nc1nc(C(F)(F)F)cs1)[C@H]1C[NH2+]CC12CNC2 ZINC001218517431 774235115 /nfs/dbraw/zinc/23/51/15/774235115.db2.gz HJEPPFXVSDWHDS-ZCFIWIBFSA-N 1 3 306.313 0.909 20 0 DCADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n2ncnc2n1 ZINC001218531438 774239327 /nfs/dbraw/zinc/23/93/27/774239327.db2.gz HZZPOHWTOOYHNJ-LBPRGKRZSA-N 1 3 319.413 0.867 20 0 DCADHO CCOC(=O)c1c(C)nsc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218545727 774243893 /nfs/dbraw/zinc/24/38/93/774243893.db2.gz GBNGIHBKZKYHKV-VIFPVBQESA-N 1 3 324.406 0.376 20 0 DCADHO O=C(Nc1ccnn1Cc1cccnc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218563949 774247781 /nfs/dbraw/zinc/24/77/81/774247781.db2.gz GNXAQNOPDOCELO-ZDUSSCGKSA-N 1 3 312.377 0.074 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cnoc1 ZINC001218574928 774253422 /nfs/dbraw/zinc/25/34/22/774253422.db2.gz ZHQHATBEJUNGRJ-RYUDHWBXSA-N 1 3 309.370 0.060 20 0 DCADHO O=C(Nc1cnc(Cl)nc1Cl)[C@@H]1C[NH2+]CC12CNC2 ZINC001218579724 774254471 /nfs/dbraw/zinc/25/44/71/774254471.db2.gz LJCUOVLNBUTYOA-LURJTMIESA-N 1 3 302.165 0.531 20 0 DCADHO COC(=O)c1ccnc(Cl)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218592636 774258061 /nfs/dbraw/zinc/25/80/61/774258061.db2.gz IQELDDAQWGEIMN-MRVPVSSYSA-N 1 3 300.746 0.526 20 0 DCADHO Cn1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(C(F)(F)F)n1 ZINC001218599118 774260142 /nfs/dbraw/zinc/26/01/42/774260142.db2.gz SMXYEFBECMHNPN-SSDOTTSWSA-N 1 3 303.288 0.186 20 0 DCADHO Nc1ccnc(-c2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ccn2)c1 ZINC001218612164 774262787 /nfs/dbraw/zinc/26/27/87/774262787.db2.gz OUKRNXFVBVKBRG-CYBMUJFWSA-N 1 3 324.388 0.473 20 0 DCADHO O=C(Nc1c(Cl)cnnc1Cl)[C@@H]1C[NH2+]CC12CNC2 ZINC001218652828 774273236 /nfs/dbraw/zinc/27/32/36/774273236.db2.gz PUVORXIFCOWMMP-LURJTMIESA-N 1 3 302.165 0.531 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705278 774283997 /nfs/dbraw/zinc/28/39/97/774283997.db2.gz MWJKYOHBZHRSRV-GWCFXTLKSA-N 1 3 307.398 0.357 20 0 DCADHO O=C(Nc1nc(F)c(F)c(Cl)c1F)[C@@H]1C[NH2+]CC12CNC2 ZINC001218753228 774298040 /nfs/dbraw/zinc/29/80/40/774298040.db2.gz GNFINNHOZWFGKX-YFKPBYRVSA-N 1 3 320.702 0.900 20 0 DCADHO COC(=O)c1c[nH]c2ncnc(NC(=O)[C@@H](N)CCCC[NH3+])c12 ZINC001218772171 774300827 /nfs/dbraw/zinc/30/08/27/774300827.db2.gz KBKAERJLTVFFNV-VIFPVBQESA-N 1 3 320.353 0.139 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccccc1CN1CCOCC1 ZINC001218846992 774314556 /nfs/dbraw/zinc/31/45/56/774314556.db2.gz GQUMTTQQPHEKQO-HNNXBMFYSA-N 1 3 320.437 0.914 20 0 DCADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001218855334 774314857 /nfs/dbraw/zinc/31/48/57/774314857.db2.gz GOFULGLVSGYEHF-LBPRGKRZSA-N 1 3 303.370 0.522 20 0 DCADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001218855334 774314865 /nfs/dbraw/zinc/31/48/65/774314865.db2.gz GOFULGLVSGYEHF-LBPRGKRZSA-N 1 3 303.370 0.522 20 0 DCADHO N[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)C1CC[NH2+]CC1 ZINC001218850340 774315270 /nfs/dbraw/zinc/31/52/70/774315270.db2.gz HTSAEEQUROYYCX-CQSZACIVSA-N 1 3 304.350 0.283 20 0 DCADHO [NH3+][C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)C1CC[NH2+]CC1 ZINC001218854733 774315350 /nfs/dbraw/zinc/31/53/50/774315350.db2.gz AEFLZZNWGVIGQJ-GFCCVEGCSA-N 1 3 301.354 0.132 20 0 DCADHO CC(=O)c1cc2c(cc1NC(=O)[C@H](N)C1CC[NH2+]CC1)OCO2 ZINC001218934174 774330514 /nfs/dbraw/zinc/33/05/14/774330514.db2.gz NZULPKPAPRBKPM-OAHLLOKOSA-N 1 3 319.361 0.883 20 0 DCADHO CN(C)C(=O)Cc1ccccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218954330 774335421 /nfs/dbraw/zinc/33/54/21/774335421.db2.gz KAMJQQULQNEGTF-CYBMUJFWSA-N 1 3 316.405 0.065 20 0 DCADHO COC(=O)c1c[nH]c2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc21 ZINC001218986379 774341143 /nfs/dbraw/zinc/34/11/43/774341143.db2.gz ZFECQIBISBOIHZ-LBPRGKRZSA-N 1 3 304.350 0.959 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)Nc1ccc2c(c1)CNCCO2 ZINC001219028253 774349801 /nfs/dbraw/zinc/34/98/01/774349801.db2.gz WQHFWYGWALRYGV-INIZCTEOSA-N 1 3 305.378 0.612 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219028303 774350592 /nfs/dbraw/zinc/35/05/92/774350592.db2.gz YYOHYQMXZNPCDZ-MRXNPFEDSA-N 1 3 316.361 0.616 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038196 774443774 /nfs/dbraw/zinc/44/37/74/774443774.db2.gz UVZQIDFFRPBMKX-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO COc1cc2[nH]ccc2c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219360359 774463707 /nfs/dbraw/zinc/46/37/07/774463707.db2.gz AVVMNXCHOFWSJX-GFCCVEGCSA-N 1 3 300.362 0.924 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C[C@H](O)COC)CC1 ZINC001201321500 774487496 /nfs/dbraw/zinc/48/74/96/774487496.db2.gz NVZBZCMJMKGPFF-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201494553 774517387 /nfs/dbraw/zinc/51/73/87/774517387.db2.gz VMRZQTWHXXJJFG-JSGCOSHPSA-N 1 3 310.398 0.194 20 0 DCADHO CC[C@@H](C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1)OC ZINC001201480846 774519901 /nfs/dbraw/zinc/51/99/01/774519901.db2.gz BFWHWKSMGZPCKC-GJZGRUSLSA-N 1 3 324.425 0.584 20 0 DCADHO CCOC(=O)c1cc(N)cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001219524121 774522297 /nfs/dbraw/zinc/52/22/97/774522297.db2.gz BAPXCOIBTBKBPC-CQSZACIVSA-N 1 3 320.393 0.711 20 0 DCADHO N[C@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)C1CCOCC1 ZINC001219537182 774527582 /nfs/dbraw/zinc/52/75/82/774527582.db2.gz JNEUIXXRHXUYSR-PEYYIBSZSA-N 1 3 317.389 0.827 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)cn1 ZINC001219642158 774570358 /nfs/dbraw/zinc/57/03/58/774570358.db2.gz PLUKNCHJDIALCY-OBJOEFQTSA-N 1 3 306.410 0.842 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCOC)C1 ZINC001201932413 774573404 /nfs/dbraw/zinc/57/34/04/774573404.db2.gz YPCNBJFOUSCICY-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO Cc1ccc(CSC[C@H](N)C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697850 774583564 /nfs/dbraw/zinc/58/35/64/774583564.db2.gz ZBURDKRWLXDFBJ-AWEZNQCLSA-N 1 3 323.462 0.396 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)c(C)c1 ZINC001219737567 774595425 /nfs/dbraw/zinc/59/54/25/774595425.db2.gz ZCQZZEQNMJTIDJ-CVEARBPZSA-N 1 3 317.433 0.668 20 0 DCADHO O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)c1[nH]nc2c1CCNC2 ZINC001219746047 774597284 /nfs/dbraw/zinc/59/72/84/774597284.db2.gz DYPMKAZGAAPJEL-LLVKDONJSA-N 1 3 319.409 0.086 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)NC[C@]2(F)CCC[NH2+]C2)c1 ZINC001219769153 774601894 /nfs/dbraw/zinc/60/18/94/774601894.db2.gz SZWLYXWHDMLYFI-HOCLYGCPSA-N 1 3 309.385 0.773 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219814401 774618854 /nfs/dbraw/zinc/61/88/54/774618854.db2.gz CKEPXAVJRDOFFW-XHSDSOJGSA-N 1 3 313.405 0.509 20 0 DCADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1csc([C@@H]2CCCN2)n1 ZINC001219814822 774619247 /nfs/dbraw/zinc/61/92/47/774619247.db2.gz MUPSGFOLTQINLY-PGUXBMHVSA-N 1 3 322.434 0.533 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818346 774620078 /nfs/dbraw/zinc/62/00/78/774620078.db2.gz DGVIULGNXQWOFX-HSAVKHBNSA-N 1 3 309.435 0.302 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccc(O)cc1 ZINC001219884735 774637509 /nfs/dbraw/zinc/63/75/09/774637509.db2.gz CBBVBTRGNJVFGZ-UONOGXRCSA-N 1 3 321.377 0.049 20 0 DCADHO Cc1cnc(CNC2CCN(C(=O)CC[NH+](C)C)CC2)cn1 ZINC001202331025 774637855 /nfs/dbraw/zinc/63/78/55/774637855.db2.gz NNWFPWNQKHJQKF-UHFFFAOYSA-N 1 3 305.426 0.817 20 0 DCADHO O=C(NC[C@@H]1CCNCC1(F)F)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220187120 774726619 /nfs/dbraw/zinc/72/66/19/774726619.db2.gz YQIDELCKIXHVCO-RYUDHWBXSA-N 1 3 316.396 0.222 20 0 DCADHO COc1cccc2c1CC[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001220214976 774736135 /nfs/dbraw/zinc/73/61/35/774736135.db2.gz IFFFONHEKSJCSD-JSGCOSHPSA-N 1 3 323.462 0.688 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268747 774750502 /nfs/dbraw/zinc/75/05/02/774750502.db2.gz HKDZAKZHSJNDQB-CVEARBPZSA-N 1 3 311.470 0.926 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCCC(=O)Nc1ccc(F)cc1 ZINC001220268924 774750965 /nfs/dbraw/zinc/75/09/65/774750965.db2.gz RAACOUBORJOVEM-ZDUSSCGKSA-N 1 3 310.373 0.727 20 0 DCADHO CCOC(=O)C1(NC(=O)[C@@H](N)c2ccccc2)CC[NH+](C)CC1 ZINC001220345588 774779506 /nfs/dbraw/zinc/77/95/06/774779506.db2.gz JLAJCWMYAASFFN-AWEZNQCLSA-N 1 3 319.405 0.830 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394872 774794745 /nfs/dbraw/zinc/79/47/45/774794745.db2.gz OZMBCRNVYBMCHF-KBPBESRZSA-N 1 3 324.469 0.467 20 0 DCADHO COCCOc1ccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001220458265 774815912 /nfs/dbraw/zinc/81/59/12/774815912.db2.gz LWLOJOMCFPATOC-HNNXBMFYSA-N 1 3 322.409 0.050 20 0 DCADHO O=C(NCc1nccc(Cl)n1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220529546 774838461 /nfs/dbraw/zinc/83/84/61/774838461.db2.gz DFUJAPFTLZIMSU-JTQLQIEISA-N 1 3 309.801 0.620 20 0 DCADHO O=C(NCc1nccc(Cl)n1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220529546 774838471 /nfs/dbraw/zinc/83/84/71/774838471.db2.gz DFUJAPFTLZIMSU-JTQLQIEISA-N 1 3 309.801 0.620 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]32)CCC1 ZINC001114404629 774843000 /nfs/dbraw/zinc/84/30/00/774843000.db2.gz DJKYZPNQVQRNFK-WCVJEAGWSA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@H]32)CCC1 ZINC001114404629 774843005 /nfs/dbraw/zinc/84/30/05/774843005.db2.gz DJKYZPNQVQRNFK-WCVJEAGWSA-N 1 3 321.465 0.944 20 0 DCADHO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1)OC ZINC001114406917 774843770 /nfs/dbraw/zinc/84/37/70/774843770.db2.gz MZYINJNCGXDYTH-BYNSBNAKSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1)OC ZINC001114406917 774843777 /nfs/dbraw/zinc/84/37/77/774843777.db2.gz MZYINJNCGXDYTH-BYNSBNAKSA-N 1 3 309.454 0.942 20 0 DCADHO N[C@@H](C(=O)NCc1ccc(-n2cccn2)nc1)C1CC[NH2+]CC1 ZINC001220673714 774886402 /nfs/dbraw/zinc/88/64/02/774886402.db2.gz JNTZRLFCTRHNFJ-OAHLLOKOSA-N 1 3 314.393 0.210 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870878113 774887553 /nfs/dbraw/zinc/88/75/53/774887553.db2.gz CEZHJVJYSJOVMK-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)N(C)C2CC2)CC1)N(C)C ZINC001202532279 774888407 /nfs/dbraw/zinc/88/84/07/774888407.db2.gz WNDFQALBQPQZJW-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN1CCOC[C@@H]1C ZINC001220725483 774902351 /nfs/dbraw/zinc/90/23/51/774902351.db2.gz SJJXNMYUHWAPQG-GJZGRUSLSA-N 1 3 314.474 0.319 20 0 DCADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3CNCc4ccnn4C3)(C1)CCC2 ZINC001220775417 774912575 /nfs/dbraw/zinc/91/25/75/774912575.db2.gz WVFZAXSVDAJCEJ-UHOFOFEASA-N 1 3 303.410 0.523 20 0 DCADHO Cc1noc2ccc(CNC(=O)[C@H]3C[NH2+]CC34CNC4)cc12 ZINC001220846749 774933603 /nfs/dbraw/zinc/93/36/03/774933603.db2.gz INLMODWBWNYQNO-CYBMUJFWSA-N 1 3 300.362 0.561 20 0 DCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937478 774957355 /nfs/dbraw/zinc/95/73/55/774957355.db2.gz SMGVLYPNGUDUKK-JKSUJKDBSA-N 1 3 303.406 0.586 20 0 DCADHO O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220955914 774961653 /nfs/dbraw/zinc/96/16/53/774961653.db2.gz RPELTJDCADSXRO-VXGBXAGGSA-N 1 3 307.781 0.699 20 0 DCADHO N[C@@H](C(=O)NCc1cnn(CC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001220973351 774966009 /nfs/dbraw/zinc/96/60/09/774966009.db2.gz UOKKZEMMEGQPGJ-LLVKDONJSA-N 1 3 319.331 0.389 20 0 DCADHO CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001221008770 774976711 /nfs/dbraw/zinc/97/67/11/774976711.db2.gz ZVEDUXYKKAGQLI-RBSFLKMASA-N 1 3 324.469 0.513 20 0 DCADHO O=C(N[C@@H](c1cncc(F)c1)C1CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221049089 774985579 /nfs/dbraw/zinc/98/55/79/774985579.db2.gz LXPZZZFRVCAMQU-ZIAGYGMSSA-N 1 3 304.369 0.597 20 0 DCADHO [NH3+]C[C@H](C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000316840513 774990028 /nfs/dbraw/zinc/99/00/28/774990028.db2.gz RAUCYSFJDWXLOQ-PMPSAXMXSA-N 1 3 303.406 0.708 20 0 DCADHO COc1cccnc1[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221214986 775029433 /nfs/dbraw/zinc/02/94/33/775029433.db2.gz LDEXJRKNAKIISU-TZMCWYRMSA-N 1 3 316.405 0.467 20 0 DCADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1CNCc2ccnn2C1 ZINC001221246080 775042758 /nfs/dbraw/zinc/04/27/58/775042758.db2.gz OQSNBNZPLSIOAB-RHSMWYFYSA-N 1 3 317.437 0.641 20 0 DCADHO N[C@H](C(=O)NCc1ccc(-n2ccnn2)cc1)C1CC[NH2+]CC1 ZINC001221339731 775073827 /nfs/dbraw/zinc/07/38/27/775073827.db2.gz ODDCKDXQKDHGPL-HNNXBMFYSA-N 1 3 314.393 0.210 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095533724 775213272 /nfs/dbraw/zinc/21/32/72/775213272.db2.gz KZYVCMZKCXIOBA-WCVJEAGWSA-N 1 3 309.454 0.963 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095533724 775213281 /nfs/dbraw/zinc/21/32/81/775213281.db2.gz KZYVCMZKCXIOBA-WCVJEAGWSA-N 1 3 309.454 0.963 20 0 DCADHO c1ccc2c(c1)C[NH2+][C@H](CN1CCOC[C@]3(CNCCO3)C1)C2 ZINC001222186372 775293757 /nfs/dbraw/zinc/29/37/57/775293757.db2.gz GCXKCTHUPLJCII-ROUUACIJSA-N 1 3 317.433 0.392 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001222186544 775294311 /nfs/dbraw/zinc/29/43/11/775294311.db2.gz LGNKTMAPAFCIQE-MCIONIFRSA-N 1 3 319.396 0.168 20 0 DCADHO COC(=O)[C@@H]1CNCCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001222413896 775344887 /nfs/dbraw/zinc/34/48/87/775344887.db2.gz FPCGUXPTYRFPLZ-INIZCTEOSA-N 1 3 318.421 0.043 20 0 DCADHO COC[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280926 775704073 /nfs/dbraw/zinc/70/40/73/775704073.db2.gz CFGWRXYUGVPRFW-TUVASFSCSA-N 1 3 313.442 0.321 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001226782816 775877063 /nfs/dbraw/zinc/87/70/63/775877063.db2.gz SKKOJCHJLSWOCA-MGPQQGTHSA-N 1 3 322.453 0.376 20 0 DCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001226830617 775882918 /nfs/dbraw/zinc/88/29/18/775882918.db2.gz KMFZAZFLVCADHW-RBSFLKMASA-N 1 3 322.453 0.376 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001227619561 775990713 /nfs/dbraw/zinc/99/07/13/775990713.db2.gz RRDXSXDEKKXGHV-AWEZNQCLSA-N 1 3 303.422 0.629 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC001229229453 776172216 /nfs/dbraw/zinc/17/22/16/776172216.db2.gz ALXOTIYRHWDJBQ-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114834919 776206782 /nfs/dbraw/zinc/20/67/82/776206782.db2.gz FUCHIIMRCPGZGD-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114834919 776206787 /nfs/dbraw/zinc/20/67/87/776206787.db2.gz FUCHIIMRCPGZGD-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229692486 776213879 /nfs/dbraw/zinc/21/38/79/776213879.db2.gz IPSPGZIGOVJMRX-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229692486 776213884 /nfs/dbraw/zinc/21/38/84/776213884.db2.gz IPSPGZIGOVJMRX-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229692487 776213898 /nfs/dbraw/zinc/21/38/98/776213898.db2.gz IPSPGZIGOVJMRX-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229692487 776213900 /nfs/dbraw/zinc/21/39/00/776213900.db2.gz IPSPGZIGOVJMRX-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C ZINC001229860508 776231017 /nfs/dbraw/zinc/23/10/17/776231017.db2.gz VHXFGDJODNOXDY-HUUCEWRRSA-N 1 3 322.457 0.674 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001230284396 776275236 /nfs/dbraw/zinc/27/52/36/776275236.db2.gz CKUZYKJKQNKHOB-HUUCEWRRSA-N 1 3 322.457 0.635 20 0 DCADHO CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489497 777316618 /nfs/dbraw/zinc/31/66/18/777316618.db2.gz UJFAPBGLTVOSKO-FYRJDAGRSA-N 1 3 319.449 0.794 20 0 DCADHO CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489497 777316622 /nfs/dbraw/zinc/31/66/22/777316622.db2.gz UJFAPBGLTVOSKO-FYRJDAGRSA-N 1 3 319.449 0.794 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041673788 777423651 /nfs/dbraw/zinc/42/36/51/777423651.db2.gz FSUNJDOPNYVFGM-WBVHZDCISA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041673788 777423653 /nfs/dbraw/zinc/42/36/53/777423653.db2.gz FSUNJDOPNYVFGM-WBVHZDCISA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@H](N[C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2)C(N)=O ZINC001278029073 945105383 /nfs/dbraw/zinc/10/53/83/945105383.db2.gz PGRDNNPNFYEJEJ-MAZHCROVSA-N 1 3 310.442 0.363 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317655397 945147659 /nfs/dbraw/zinc/14/76/59/945147659.db2.gz QQHGHOOMJCUNKI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H](CO)[NH2+]CCCF)C1 ZINC001278154431 945158759 /nfs/dbraw/zinc/15/87/59/945158759.db2.gz DGGXFBGXRHPXRL-DOMZBBRYSA-N 1 3 321.412 0.625 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1cnn(C)c1 ZINC001480870832 939096035 /nfs/dbraw/zinc/09/60/35/939096035.db2.gz AUYAGBWHCRFSMM-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1cnn(C)c1 ZINC001480870832 939096039 /nfs/dbraw/zinc/09/60/39/939096039.db2.gz AUYAGBWHCRFSMM-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO COC(=O)[C@@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397487066 939136164 /nfs/dbraw/zinc/13/61/64/939136164.db2.gz CXPLVNPCHOLVCR-HNNXBMFYSA-N 1 3 322.405 0.137 20 0 DCADHO C[NH+](C)CCN1C[C@]2(CCN(C[C@H]3CCCO3)C2)OCC1=O ZINC001273071937 945231560 /nfs/dbraw/zinc/23/15/60/945231560.db2.gz LFIHKUNUDJBPSQ-GDBMZVCRSA-N 1 3 311.426 0.030 20 0 DCADHO CN(CC[NH2+]C[C@H](O)CC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001266847185 939251627 /nfs/dbraw/zinc/25/16/27/939251627.db2.gz XUDMCDRJWCBPEW-SNVBAGLBSA-N 1 3 308.304 0.314 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001267355684 939433024 /nfs/dbraw/zinc/43/30/24/939433024.db2.gz YTCHZEAXFJPRDS-JKSUJKDBSA-N 1 3 305.422 0.862 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001408612664 939469108 /nfs/dbraw/zinc/46/91/08/939469108.db2.gz FIDMGDMKNPYFOE-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001496239315 939520002 /nfs/dbraw/zinc/52/00/02/939520002.db2.gz RBXYADVVMVBETD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001419760005 939531566 /nfs/dbraw/zinc/53/15/66/939531566.db2.gz HJQKLYBIIXRAKK-QWHCGFSZSA-N 1 3 300.447 0.240 20 0 DCADHO CCCC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(N)=O ZINC001481246906 939668960 /nfs/dbraw/zinc/66/89/60/939668960.db2.gz BYQBXOWQFBLXIA-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001481271346 939687692 /nfs/dbraw/zinc/68/76/92/939687692.db2.gz COMSDCSJCXZVBS-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001481271346 939687694 /nfs/dbraw/zinc/68/76/94/939687694.db2.gz COMSDCSJCXZVBS-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO COc1ncc(CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001481315255 939743008 /nfs/dbraw/zinc/74/30/08/939743008.db2.gz UGEDUQUSYUQBLS-CYBMUJFWSA-N 1 3 321.425 0.293 20 0 DCADHO COc1ncc(CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001481315255 939743011 /nfs/dbraw/zinc/74/30/11/939743011.db2.gz UGEDUQUSYUQBLS-CYBMUJFWSA-N 1 3 321.425 0.293 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CCC[NH+]1CCCCC1 ZINC001481317575 939744765 /nfs/dbraw/zinc/74/47/65/939744765.db2.gz NRVMGPCZCPIZJL-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[NH+](C)CCCC(=O)NCC[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC001481445340 939795817 /nfs/dbraw/zinc/79/58/17/939795817.db2.gz VVGHXFRVTRGWJI-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001481515069 939911970 /nfs/dbraw/zinc/91/19/70/939911970.db2.gz ZNFGWZSTPRDNJE-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001481515069 939911971 /nfs/dbraw/zinc/91/19/71/939911971.db2.gz ZNFGWZSTPRDNJE-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CCCC[NH+](C)C ZINC001268096123 939946339 /nfs/dbraw/zinc/94/63/39/939946339.db2.gz YUZQZXMVBQDOKI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO COC[C@@H](C)N1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481652372 940014220 /nfs/dbraw/zinc/01/42/20/940014220.db2.gz STRNOEMBAVXHMF-CYBMUJFWSA-N 1 3 313.442 0.180 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)CCC[NH+](C)C ZINC001421951672 940054306 /nfs/dbraw/zinc/05/43/06/940054306.db2.gz WOQRXORCYRXOIZ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCC(=O)NC ZINC001481854630 940162272 /nfs/dbraw/zinc/16/22/72/940162272.db2.gz FOPFDOOKDANTPE-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001481882127 940170333 /nfs/dbraw/zinc/17/03/33/940170333.db2.gz PKOUFEYPITXMJR-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CCNC(=O)CNCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001481897322 940175807 /nfs/dbraw/zinc/17/58/07/940175807.db2.gz WJDZUSKYUJNYFB-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001481897322 940175808 /nfs/dbraw/zinc/17/58/08/940175808.db2.gz WJDZUSKYUJNYFB-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC(=O)N(C)C)CCCC1 ZINC001481913061 940180186 /nfs/dbraw/zinc/18/01/86/940180186.db2.gz NEVSDGIWXRTJCV-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCNCC(=O)NCC(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268496870 940194051 /nfs/dbraw/zinc/19/40/51/940194051.db2.gz AJNDTXAINWTNJH-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(CCNCC(=O)NCC(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268496870 940194054 /nfs/dbraw/zinc/19/40/54/940194054.db2.gz AJNDTXAINWTNJH-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001268546161 940228318 /nfs/dbraw/zinc/22/83/18/940228318.db2.gz BSMODANSTQSMAK-NMONBKHDSA-N 1 3 322.453 0.401 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001268546161 940228321 /nfs/dbraw/zinc/22/83/21/940228321.db2.gz BSMODANSTQSMAK-NMONBKHDSA-N 1 3 322.453 0.401 20 0 DCADHO O[C@@H](C[NH2+][C@@H]1CCCCNC1)COCC(F)(F)C(F)F ZINC001245987740 945307311 /nfs/dbraw/zinc/30/73/11/945307311.db2.gz BVOBLYCARRKCFD-ZJUUUORDSA-N 1 3 302.312 0.996 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001245990409 945307448 /nfs/dbraw/zinc/30/74/48/945307448.db2.gz IXWYWMGIWLIUEL-USXIJHARSA-N 1 3 322.449 0.796 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@@H](O)COc1ccc(CCO)cc1 ZINC001245986289 945308291 /nfs/dbraw/zinc/30/82/91/945308291.db2.gz XHZAIOJKVBOGGA-BHYGNILZSA-N 1 3 322.449 0.939 20 0 DCADHO COc1nccc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001482169858 940291819 /nfs/dbraw/zinc/29/18/19/940291819.db2.gz WXSCDEPOICKNOY-CHWSQXEVSA-N 1 3 321.425 0.279 20 0 DCADHO COc1nccc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001482169858 940291821 /nfs/dbraw/zinc/29/18/21/940291821.db2.gz WXSCDEPOICKNOY-CHWSQXEVSA-N 1 3 321.425 0.279 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001268798665 940366079 /nfs/dbraw/zinc/36/60/79/940366079.db2.gz MKXBTMGRYKYLGQ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1nncc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001279999168 940722442 /nfs/dbraw/zinc/72/24/42/940722442.db2.gz FRXPRPCSECCUFP-DZGCQCFKSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H](C[NH2+]CCOCC(F)F)N(C)C(=O)[C@@H]1CCCN1C ZINC001482264451 940833440 /nfs/dbraw/zinc/83/34/40/940833440.db2.gz ALTWSRLPUXIXDI-NEPJUHHUSA-N 1 3 307.385 0.799 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001270618484 940937654 /nfs/dbraw/zinc/93/76/54/940937654.db2.gz ZSLCWBCLFCZGEB-HRCADAONSA-N 1 3 308.470 0.565 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001270745298 940980117 /nfs/dbraw/zinc/98/01/17/940980117.db2.gz YDKNCEVLFMNDNY-ZBFHGGJFSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325860 940991838 /nfs/dbraw/zinc/99/18/38/940991838.db2.gz NDELCRFXHPEIBJ-OLZOCXBDSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cncn1C ZINC001482554357 941493505 /nfs/dbraw/zinc/49/35/05/941493505.db2.gz TUPFPNZIEWRQIC-GDBMZVCRSA-N 1 3 321.469 0.992 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCn1cccn1)C(C)C ZINC001482566947 941508049 /nfs/dbraw/zinc/50/80/49/941508049.db2.gz AFEUPDOPWVZHSO-OAHLLOKOSA-N 1 3 318.425 0.888 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)NC1CC1)C(=O)[C@H]1CCCCN1C ZINC001482933666 941716565 /nfs/dbraw/zinc/71/65/65/941716565.db2.gz LVPSKZMJXCNMNW-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001409266664 941815457 /nfs/dbraw/zinc/81/54/57/941815457.db2.gz UMLAFHUNZQRPLT-NFOMZHRRSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001483098515 941843885 /nfs/dbraw/zinc/84/38/85/941843885.db2.gz RHISTHOGZFDWTQ-OOPLNXAUSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409305874 941886503 /nfs/dbraw/zinc/88/65/03/941886503.db2.gz KKSGNVFQUJVKRX-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409305874 941886506 /nfs/dbraw/zinc/88/65/06/941886506.db2.gz KKSGNVFQUJVKRX-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409305883 941886855 /nfs/dbraw/zinc/88/68/55/941886855.db2.gz KKSGNVFQUJVKRX-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409305883 941886859 /nfs/dbraw/zinc/88/68/59/941886859.db2.gz KKSGNVFQUJVKRX-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)NC(=O)CN(C)C1CCC1 ZINC001483138433 941903753 /nfs/dbraw/zinc/90/37/53/941903753.db2.gz XLQHOGVJQWBHNF-CYBMUJFWSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001483198038 941932122 /nfs/dbraw/zinc/93/21/22/941932122.db2.gz KQWPYIUBLOSFHO-IUODEOHRSA-N 1 3 318.421 0.345 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409401583 941981492 /nfs/dbraw/zinc/98/14/92/941981492.db2.gz LKUBMASWKJUFOV-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C)CN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601902 942088062 /nfs/dbraw/zinc/08/80/62/942088062.db2.gz SVOKOCKNRIADSW-ZNMIVQPWSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)[C@@H](O)C1 ZINC001083601902 942088067 /nfs/dbraw/zinc/08/80/67/942088067.db2.gz SVOKOCKNRIADSW-ZNMIVQPWSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)[C@@H](O)C1 ZINC001083601902 942088073 /nfs/dbraw/zinc/08/80/73/942088073.db2.gz SVOKOCKNRIADSW-ZNMIVQPWSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1)C(N)=O ZINC001483559981 942417965 /nfs/dbraw/zinc/41/79/65/942417965.db2.gz ABPYBAWQTZKEPM-JSGCOSHPSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)(O)C[C@H](O)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413089011 942492373 /nfs/dbraw/zinc/49/23/73/942492373.db2.gz NZOAMTROPREXHT-HNNXBMFYSA-N 1 3 314.470 0.821 20 0 DCADHO O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1CN2CCC1CC2 ZINC001413468276 943000553 /nfs/dbraw/zinc/00/05/53/943000553.db2.gz LOSWMUUMQXNRFW-HNNXBMFYSA-N 1 3 315.483 0.734 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483930643 943032477 /nfs/dbraw/zinc/03/24/77/943032477.db2.gz DGBIXHDZORYQKQ-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483930643 943032484 /nfs/dbraw/zinc/03/24/84/943032484.db2.gz DGBIXHDZORYQKQ-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N(C)C)C2 ZINC001484320174 943320563 /nfs/dbraw/zinc/32/05/63/943320563.db2.gz JGLDVCSEDDUVNY-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N(C)C)C2 ZINC001484320174 943320568 /nfs/dbraw/zinc/32/05/68/943320568.db2.gz JGLDVCSEDDUVNY-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001484357397 943334092 /nfs/dbraw/zinc/33/40/92/943334092.db2.gz HSQOWCZETOEFNS-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCOCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001484411699 943359800 /nfs/dbraw/zinc/35/98/00/943359800.db2.gz CYJJJHJMJWYPPC-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001484411699 943359808 /nfs/dbraw/zinc/35/98/08/943359808.db2.gz CYJJJHJMJWYPPC-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1)N(C)C ZINC001484547139 943449055 /nfs/dbraw/zinc/44/90/55/943449055.db2.gz NKAWQOWMBGAUBE-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001484634972 943482735 /nfs/dbraw/zinc/48/27/35/943482735.db2.gz REJMWYIGNZGCGW-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001484634972 943482739 /nfs/dbraw/zinc/48/27/39/943482739.db2.gz REJMWYIGNZGCGW-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001484765508 943554521 /nfs/dbraw/zinc/55/45/21/943554521.db2.gz HZHRJPOPQNWHEL-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)CCC1 ZINC001490897292 943584822 /nfs/dbraw/zinc/58/48/22/943584822.db2.gz GQTQMVBNMAGNQS-JOCQHMNTSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001484876699 943608383 /nfs/dbraw/zinc/60/83/83/943608383.db2.gz CCMCYTBJHZMWBA-YUELXQCFSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)=CCN1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485028754 943663721 /nfs/dbraw/zinc/66/37/21/943663721.db2.gz VGWOHCRERQWMBV-UHFFFAOYSA-N 1 3 321.465 0.992 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@]23CCOC3)C1 ZINC001491073754 943738875 /nfs/dbraw/zinc/73/88/75/943738875.db2.gz RLIVPMSRIQXQTN-MPTYRVRUSA-N 1 3 309.454 0.992 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001491332987 943924475 /nfs/dbraw/zinc/92/44/75/943924475.db2.gz XCDNAJXRVMSFHF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001491332987 943924479 /nfs/dbraw/zinc/92/44/79/943924479.db2.gz XCDNAJXRVMSFHF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001485762878 944124891 /nfs/dbraw/zinc/12/48/91/944124891.db2.gz JZKKDQPQLIIQAL-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001203010024 944142224 /nfs/dbraw/zinc/14/22/24/944142224.db2.gz FHYVFYJFMKFOJU-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(=O)N1CCC(CN2CC3(CCN3CC[NH+](C)C)C2)CC1 ZINC001276505287 944195420 /nfs/dbraw/zinc/19/54/20/944195420.db2.gz ZNZSIXHMSVHAHM-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO COC(CN1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1)OC ZINC001276641817 944242920 /nfs/dbraw/zinc/24/29/20/944242920.db2.gz BSLQOXWSIBRDPM-INIZCTEOSA-N 1 3 315.458 0.334 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@H]1CCN(C)C1=O ZINC001485960291 944449234 /nfs/dbraw/zinc/44/92/34/944449234.db2.gz CZQNYUNQZLXCPR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@H](CO)NCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001486010887 944497108 /nfs/dbraw/zinc/49/71/08/944497108.db2.gz HHNOTQIZTDSTQB-MRXNPFEDSA-N 1 3 317.433 0.882 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001486123194 944578839 /nfs/dbraw/zinc/57/88/39/944578839.db2.gz ZEMWTYHVLNPHJL-GXTWGEPZSA-N 1 3 322.453 0.186 20 0 DCADHO CC1(N2CCOCC2)CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC001474661176 944749817 /nfs/dbraw/zinc/74/98/17/944749817.db2.gz LZZLMKGVRNOHCQ-AQFXKWCLSA-N 1 3 311.470 0.676 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001486316761 944761760 /nfs/dbraw/zinc/76/17/60/944761760.db2.gz ICFAWKAFFFSXCJ-JKSUJKDBSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001486316761 944761770 /nfs/dbraw/zinc/76/17/70/944761770.db2.gz ICFAWKAFFFSXCJ-JKSUJKDBSA-N 1 3 320.437 0.251 20 0 DCADHO C[C@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001486466964 944905495 /nfs/dbraw/zinc/90/54/95/944905495.db2.gz NWIRZLAAFLCCHN-HSBZDZAISA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001486483648 944917972 /nfs/dbraw/zinc/91/79/72/944917972.db2.gz NOZBFRPVQDZDIJ-UHFFFAOYSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)CCN1 ZINC001246465566 945414300 /nfs/dbraw/zinc/41/43/00/945414300.db2.gz ZPFGBHJZEOPKDC-PJIALRRASA-N 1 3 301.456 0.672 20 0 DCADHO NC[C@H]1C[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@@H]1O ZINC001246579530 945436363 /nfs/dbraw/zinc/43/63/63/945436363.db2.gz FJNRVZJFSHMEIV-ULQDDVLXSA-N 1 3 317.433 0.933 20 0 DCADHO NC[C@H]1C[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@@H]1O ZINC001246579530 945436369 /nfs/dbraw/zinc/43/63/69/945436369.db2.gz FJNRVZJFSHMEIV-ULQDDVLXSA-N 1 3 317.433 0.933 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CCN1 ZINC001246713105 945470239 /nfs/dbraw/zinc/47/02/39/945470239.db2.gz BGCICBDUWAXQSA-BVUBDWEXSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CCN1 ZINC001246713105 945470245 /nfs/dbraw/zinc/47/02/45/945470245.db2.gz BGCICBDUWAXQSA-BVUBDWEXSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@@H]1C[C@@H](N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CC[NH2+]1 ZINC001246713105 945470250 /nfs/dbraw/zinc/47/02/50/945470250.db2.gz BGCICBDUWAXQSA-BVUBDWEXSA-N 1 3 317.437 0.849 20 0 DCADHO CC(C)NC(=O)c1nn([C@H]2CC[C@H](C)[NH2+]C2)c2c1CNCC2 ZINC001246755660 945483496 /nfs/dbraw/zinc/48/34/96/945483496.db2.gz ISIIYMPURSXJJY-RYUDHWBXSA-N 1 3 305.426 0.980 20 0 DCADHO CC(C)(C)OC(=O)CN1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246786952 945488955 /nfs/dbraw/zinc/48/89/55/945488955.db2.gz BPMCOYGWFDWOJZ-CQSZACIVSA-N 1 3 324.469 0.040 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCn1cccn1 ZINC001319112838 945499945 /nfs/dbraw/zinc/49/99/45/945499945.db2.gz ASVLPCYVLROXHY-CQSZACIVSA-N 1 3 302.382 0.430 20 0 DCADHO COC(=O)c1cccc2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246903438 945515072 /nfs/dbraw/zinc/51/50/72/945515072.db2.gz XRGBVJHSQBVVBO-CQSZACIVSA-N 1 3 315.417 0.925 20 0 DCADHO COC(=O)[C@H]1C[N@@H+](C2CCC(N3CCOCC3)CC2)C[C@@H]1N ZINC001246929085 945517381 /nfs/dbraw/zinc/51/73/81/945517381.db2.gz CGRDRVXRVSSVBS-WUCCLRPBSA-N 1 3 311.426 0.062 20 0 DCADHO COC(=O)[C@H]1C[N@H+](C2CCC(N3CCOCC3)CC2)C[C@@H]1N ZINC001246929085 945517386 /nfs/dbraw/zinc/51/73/86/945517386.db2.gz CGRDRVXRVSSVBS-WUCCLRPBSA-N 1 3 311.426 0.062 20 0 DCADHO COc1ccc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246961753 945525857 /nfs/dbraw/zinc/52/58/57/945525857.db2.gz PUDJPCRLTHWKGA-AWEZNQCLSA-N 1 3 317.437 0.306 20 0 DCADHO COC1(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CNC1 ZINC001247767074 945573920 /nfs/dbraw/zinc/57/39/20/945573920.db2.gz PQCQJWIYSCQGRU-UHFFFAOYSA-N 1 3 301.350 0.308 20 0 DCADHO c1cc2c(cc1-c1noc([C@H]3CNCC34C[NH2+]C4)n1)OCCO2 ZINC001247828275 945575787 /nfs/dbraw/zinc/57/57/87/945575787.db2.gz CDDCBUFZAGBKIL-LLVKDONJSA-N 1 3 314.345 0.784 20 0 DCADHO c1cnc2cc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)ccc2n1 ZINC001247832266 945576068 /nfs/dbraw/zinc/57/60/68/945576068.db2.gz XDNXWSACBVHTCS-NSHDSACASA-N 1 3 308.345 0.956 20 0 DCADHO Cn1ncc2cc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)ccc21 ZINC001247829414 945576108 /nfs/dbraw/zinc/57/61/08/945576108.db2.gz ISOUPAUGFXPWIH-LBPRGKRZSA-N 1 3 310.361 0.900 20 0 DCADHO COc1cnc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c(C)c1 ZINC001247836466 945576320 /nfs/dbraw/zinc/57/63/20/945576320.db2.gz OSXHSNBTXUVTQL-LLVKDONJSA-N 1 3 301.350 0.725 20 0 DCADHO COCOc1ccccc1-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247828818 945576404 /nfs/dbraw/zinc/57/64/04/945576404.db2.gz GDERLOJUJUUUGW-LBPRGKRZSA-N 1 3 316.361 0.996 20 0 DCADHO COc1cc(OC)cc(-c2noc(C34CNCC3C[NH2+]C4)n2)c1 ZINC001247850123 945578163 /nfs/dbraw/zinc/57/81/63/945578163.db2.gz IEDWFDNMZCICGT-UHFFFAOYSA-N 1 3 316.361 0.814 20 0 DCADHO Cn1ncc2cc(-c3noc(C45CNCC4C[NH2+]C5)n3)ccc21 ZINC001247850978 945578656 /nfs/dbraw/zinc/57/86/56/945578656.db2.gz LIUHFEMQJAFWSF-UHFFFAOYSA-N 1 3 310.361 0.684 20 0 DCADHO COc1ccc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001273175529 945641074 /nfs/dbraw/zinc/64/10/74/945641074.db2.gz IENLZMMYEQJUJK-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001273175529 945641083 /nfs/dbraw/zinc/64/10/83/945641083.db2.gz IENLZMMYEQJUJK-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO C[N@H+](CCO)CCCNC[C@H](O)COc1cccc(F)c1 ZINC001250836749 945681037 /nfs/dbraw/zinc/68/10/37/945681037.db2.gz WJHKIYXFIDPTFF-AWEZNQCLSA-N 1 3 300.374 0.469 20 0 DCADHO C[N@@H+](CCO)CCCNC[C@H](O)COc1cccc(F)c1 ZINC001250836749 945681045 /nfs/dbraw/zinc/68/10/45/945681045.db2.gz WJHKIYXFIDPTFF-AWEZNQCLSA-N 1 3 300.374 0.469 20 0 DCADHO CC[NH+](CC)CCCN1CCN(CC2(O)CCOCC2)CC1 ZINC001252962429 946044851 /nfs/dbraw/zinc/04/48/51/946044851.db2.gz QDTMMDAMUCFWQW-UHFFFAOYSA-N 1 3 313.486 0.877 20 0 DCADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C[C@@H](O)C[NH+](CC)CC ZINC001253187968 946086783 /nfs/dbraw/zinc/08/67/83/946086783.db2.gz MFZKXSJEBSZXAQ-SWLSCSKDSA-N 1 3 324.425 0.575 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410382345 946283553 /nfs/dbraw/zinc/28/35/53/946283553.db2.gz PJHBWXHPRCAWFP-BFHYXJOUSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410382345 946283557 /nfs/dbraw/zinc/28/35/57/946283557.db2.gz PJHBWXHPRCAWFP-BFHYXJOUSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001410393980 946300592 /nfs/dbraw/zinc/30/05/92/946300592.db2.gz XMOQSXICMZSQTO-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001410393980 946300604 /nfs/dbraw/zinc/30/06/04/946300604.db2.gz XMOQSXICMZSQTO-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCc1ccnn1C)[NH+](C)C ZINC001410475325 946464445 /nfs/dbraw/zinc/46/44/45/946464445.db2.gz OOMXHAMJDDVEBJ-DZGCQCFKSA-N 1 3 309.458 0.943 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001322088020 946573535 /nfs/dbraw/zinc/57/35/35/946573535.db2.gz KEKNVEGNOKMRPZ-UONOGXRCSA-N 1 3 308.430 0.247 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1)[NH+](C)C ZINC001410583812 946605077 /nfs/dbraw/zinc/60/50/77/946605077.db2.gz SFEDGXKTHZTRPI-HOCLYGCPSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCC[NH2+]Cc1cncn1C)C(=O)[C@H]1CCCCN1C ZINC001322568007 946728308 /nfs/dbraw/zinc/72/83/08/946728308.db2.gz CEEYTYBXQBXILL-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C[C@@H]1C ZINC001410850634 947028993 /nfs/dbraw/zinc/02/89/93/947028993.db2.gz ABTSFYRDCBDMSU-AAEUAGOBSA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C[C@@H]1C ZINC001410850634 947029004 /nfs/dbraw/zinc/02/90/04/947029004.db2.gz ABTSFYRDCBDMSU-AAEUAGOBSA-N 1 3 308.430 0.534 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)cn1 ZINC001410859941 947040414 /nfs/dbraw/zinc/04/04/14/947040414.db2.gz MPMUGZXKQPHTTP-DOMZBBRYSA-N 1 3 305.426 0.816 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC001411096741 947324145 /nfs/dbraw/zinc/32/41/45/947324145.db2.gz IOAQHAHMWWONSA-CQSZACIVSA-N 1 3 322.457 0.447 20 0 DCADHO CN(C[C@H](O)C[NH2+]CC1CC(C)(C)C1)C(=O)Cc1c[nH]cn1 ZINC001411104760 947336698 /nfs/dbraw/zinc/33/66/98/947336698.db2.gz SAGAAMKZIFWGKG-CQSZACIVSA-N 1 3 308.426 0.797 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001411282469 947582286 /nfs/dbraw/zinc/58/22/86/947582286.db2.gz PRRDWHBOMXSDNF-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001263102128 947807407 /nfs/dbraw/zinc/80/74/07/947807407.db2.gz LTRBARPEZAJEAF-UHFFFAOYSA-N 1 3 321.421 0.867 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001263102128 947807414 /nfs/dbraw/zinc/80/74/14/947807414.db2.gz LTRBARPEZAJEAF-UHFFFAOYSA-N 1 3 321.421 0.867 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482413 947852116 /nfs/dbraw/zinc/85/21/16/947852116.db2.gz SERYVZBSKZPELR-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534556 947854056 /nfs/dbraw/zinc/85/40/56/947854056.db2.gz OSXLKSLVQUAIAQ-BARDWOONSA-N 1 3 313.442 0.057 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001179586401 947870719 /nfs/dbraw/zinc/87/07/19/947870719.db2.gz NWRQQSIYHQEPCT-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CN1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273698919 948027577 /nfs/dbraw/zinc/02/75/77/948027577.db2.gz GLMHZZWNWTZSAF-QGZVFWFLSA-N 1 3 324.469 0.389 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNCc2cccnc2)C1 ZINC001326134154 948063697 /nfs/dbraw/zinc/06/36/97/948063697.db2.gz BHIUTUTYOVLQEM-HNNXBMFYSA-N 1 3 320.437 0.334 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNCc2cccnc2)C1 ZINC001326134154 948063704 /nfs/dbraw/zinc/06/37/04/948063704.db2.gz BHIUTUTYOVLQEM-HNNXBMFYSA-N 1 3 320.437 0.334 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1C[C@]12CCOC2)C(=O)CN1CCCC1 ZINC001273753186 948066888 /nfs/dbraw/zinc/06/68/88/948066888.db2.gz RJACQGCGLCPMDU-RDJZCZTQSA-N 1 3 309.454 0.947 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001487787113 948276677 /nfs/dbraw/zinc/27/66/77/948276677.db2.gz TXFYHRLXLAQFIJ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001487787113 948276686 /nfs/dbraw/zinc/27/66/86/948276686.db2.gz TXFYHRLXLAQFIJ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N1CCO[C@@H](CNCCF)C1)[NH+]1CCCC1 ZINC001327082640 948390469 /nfs/dbraw/zinc/39/04/69/948390469.db2.gz WARSGZIHBPXSBV-LSDHHAIUSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001328365932 948857876 /nfs/dbraw/zinc/85/78/76/948857876.db2.gz JWXNDFWYTKQJES-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CC[C@@H](N(C)CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001265037424 949214096 /nfs/dbraw/zinc/21/40/96/949214096.db2.gz ZFLYTZGWKNRWEF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](N(C)CCCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001265037424 949214115 /nfs/dbraw/zinc/21/41/15/949214115.db2.gz ZFLYTZGWKNRWEF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC1CC1 ZINC001265146142 949371240 /nfs/dbraw/zinc/37/12/40/949371240.db2.gz NZQXVQIRUTYHMQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC1CC1 ZINC001265146142 949371260 /nfs/dbraw/zinc/37/12/60/949371260.db2.gz NZQXVQIRUTYHMQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(CN1CCCC1)N1CCC(OCCC[NH2+]CCO)CC1 ZINC001329789113 949873607 /nfs/dbraw/zinc/87/36/07/949873607.db2.gz JMDUWQDJDXNVKX-UHFFFAOYSA-N 1 3 313.442 0.062 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCOC)C1 ZINC001330425804 950385880 /nfs/dbraw/zinc/38/58/80/950385880.db2.gz NMPNFLRPKAAORU-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001490711537 951029347 /nfs/dbraw/zinc/02/93/47/951029347.db2.gz ZFMBIJZWPPHWQT-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001332249636 951542453 /nfs/dbraw/zinc/54/24/53/951542453.db2.gz IOESJHRXBYBQKL-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001365821038 951580888 /nfs/dbraw/zinc/58/08/88/951580888.db2.gz OPGDWZIAMPCXAU-VNHYZAJKSA-N 1 3 312.458 0.145 20 0 DCADHO COCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001332505310 951671217 /nfs/dbraw/zinc/67/12/17/951671217.db2.gz WRBKPCVFMIUAEI-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CN(C)CCn1c2cc(C(=O)NCCCC[NH3+])ccc2[nH]c1=O ZINC001332974983 951869335 /nfs/dbraw/zinc/86/93/35/951869335.db2.gz GJESBELDTKOQNL-UHFFFAOYSA-N 1 3 319.409 0.772 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001332974763 951869838 /nfs/dbraw/zinc/86/98/38/951869838.db2.gz DCFXBWRKXTXZQP-UONOGXRCSA-N 1 3 300.422 0.078 20 0 DCADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(CCN1CCOCC1)CC2 ZINC001275990776 952596739 /nfs/dbraw/zinc/59/67/39/952596739.db2.gz ZYEHGZIDKALORM-UHFFFAOYSA-N 1 3 324.513 0.668 20 0 DCADHO CN(C)CC[N@H+]1CCC2(C1)CCN(CCN1CCOCC1)CC2 ZINC001275990776 952596740 /nfs/dbraw/zinc/59/67/40/952596740.db2.gz ZYEHGZIDKALORM-UHFFFAOYSA-N 1 3 324.513 0.668 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCCCC1 ZINC001337296276 952839747 /nfs/dbraw/zinc/83/97/47/952839747.db2.gz FOCWCSHORFYHSN-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC001337312471 952841258 /nfs/dbraw/zinc/84/12/58/952841258.db2.gz YMMWLKWZGMJPMO-OKILXGFUSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)(O)[C@H](N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001341662735 953243738 /nfs/dbraw/zinc/24/37/38/953243738.db2.gz MWMSVCLNMIAWEE-OAHLLOKOSA-N 1 3 305.422 0.649 20 0 DCADHO CC(C)(O)[C@H](N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC001341662735 953243740 /nfs/dbraw/zinc/24/37/40/953243740.db2.gz MWMSVCLNMIAWEE-OAHLLOKOSA-N 1 3 305.422 0.649 20 0 DCADHO C[C@H]1CCN(C(=O)CNCC[NH3+])CCN1Cc1ccccc1 ZINC001343444101 953347050 /nfs/dbraw/zinc/34/70/50/953347050.db2.gz DAUUSXLSYAPVJT-HNNXBMFYSA-N 1 3 304.438 0.658 20 0 DCADHO COCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001365908085 953392084 /nfs/dbraw/zinc/39/20/84/953392084.db2.gz XGLPSSOMQRJWGV-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO COCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001365908085 953392094 /nfs/dbraw/zinc/39/20/94/953392094.db2.gz XGLPSSOMQRJWGV-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001366061821 953635728 /nfs/dbraw/zinc/63/57/28/953635728.db2.gz LJICMWFMYABVNB-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001366064197 953638897 /nfs/dbraw/zinc/63/88/97/953638897.db2.gz AONUHCWKSUFUBT-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001366064197 953638904 /nfs/dbraw/zinc/63/89/04/953638904.db2.gz AONUHCWKSUFUBT-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366084081 953661722 /nfs/dbraw/zinc/66/17/22/953661722.db2.gz VIPVSBWTXBSTTP-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001366091774 953672663 /nfs/dbraw/zinc/67/26/63/953672663.db2.gz LNDRKEQGBZMYEX-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1)[NH+](CC)CC ZINC001366097896 953679539 /nfs/dbraw/zinc/67/95/39/953679539.db2.gz HLWWGGFFGJNTTC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001366100435 953686176 /nfs/dbraw/zinc/68/61/76/953686176.db2.gz XTWPGCZCECTILJ-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001366103059 953688825 /nfs/dbraw/zinc/68/88/25/953688825.db2.gz PWBAIKCFMVVWDV-HNNXBMFYSA-N 1 3 320.437 0.418 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366216865 953837042 /nfs/dbraw/zinc/83/70/42/953837042.db2.gz DYNOYUUVHBROSC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366216865 953837060 /nfs/dbraw/zinc/83/70/60/953837060.db2.gz DYNOYUUVHBROSC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001366215520 953839975 /nfs/dbraw/zinc/83/99/75/953839975.db2.gz GSTFHMWMHHIQID-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001366280073 953949249 /nfs/dbraw/zinc/94/92/49/953949249.db2.gz WTBJXVSQSYLPKL-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001366280073 953949252 /nfs/dbraw/zinc/94/92/52/953949252.db2.gz WTBJXVSQSYLPKL-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001283057564 953962678 /nfs/dbraw/zinc/96/26/78/953962678.db2.gz DTTQHPXILPNFQY-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001283057564 953962680 /nfs/dbraw/zinc/96/26/80/953962680.db2.gz DTTQHPXILPNFQY-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCc2n[nH]c(C)n2)C1 ZINC001366320435 954017129 /nfs/dbraw/zinc/01/71/29/954017129.db2.gz OXIVMZNTKYRHFW-GXTWGEPZSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCc2n[nH]c(C)n2)C1 ZINC001366320435 954017138 /nfs/dbraw/zinc/01/71/38/954017138.db2.gz OXIVMZNTKYRHFW-GXTWGEPZSA-N 1 3 322.457 0.829 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001366330815 954034852 /nfs/dbraw/zinc/03/48/52/954034852.db2.gz YXNCTRAZJZZGJG-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCCC1 ZINC001366359226 954095603 /nfs/dbraw/zinc/09/56/03/954095603.db2.gz RMERSNSKPMEKQG-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCCC1 ZINC001366359226 954095617 /nfs/dbraw/zinc/09/56/17/954095617.db2.gz RMERSNSKPMEKQG-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001366367161 954104005 /nfs/dbraw/zinc/10/40/05/954104005.db2.gz NIDZZKYZVWSJFN-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001366367158 954105798 /nfs/dbraw/zinc/10/57/98/954105798.db2.gz NIDZZKYZVWSJFN-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC1CC1 ZINC001366382566 954127994 /nfs/dbraw/zinc/12/79/94/954127994.db2.gz QFKVUBNFHKFDSI-JSGCOSHPSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001366395988 954149383 /nfs/dbraw/zinc/14/93/83/954149383.db2.gz ARKQXSDSZQHYIG-YPMHNXCESA-N 1 3 308.430 0.564 20 0 DCADHO Cc1nnsc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001366456548 954220994 /nfs/dbraw/zinc/22/09/94/954220994.db2.gz WYVVEZAWIGQCNN-PWSUYJOCSA-N 1 3 311.455 0.925 20 0 DCADHO CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001366768626 954809856 /nfs/dbraw/zinc/80/98/56/954809856.db2.gz PFDUARFJJIOTTL-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CCC[NH+]1CCCC1 ZINC001366776287 954824287 /nfs/dbraw/zinc/82/42/87/954824287.db2.gz SWHJLELSKZQNSH-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001366782427 954842111 /nfs/dbraw/zinc/84/21/11/954842111.db2.gz LRAORSZHRAWPJO-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO C[N@H+](CCn1cccn1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366876601 954977436 /nfs/dbraw/zinc/97/74/36/954977436.db2.gz XQOIGXVIPIWDDR-MRXNPFEDSA-N 1 3 319.453 0.759 20 0 DCADHO C[N@@H+](CCn1cccn1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366876601 954977444 /nfs/dbraw/zinc/97/74/44/954977444.db2.gz XQOIGXVIPIWDDR-MRXNPFEDSA-N 1 3 319.453 0.759 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(C)(C)C1 ZINC001350960614 955226515 /nfs/dbraw/zinc/22/65/15/955226515.db2.gz RUSHGWGGQMAYRN-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCC1=CC[N@H+](C[C@H](O)COC)CC1)N(C)C ZINC001284928959 955320772 /nfs/dbraw/zinc/32/07/72/955320772.db2.gz HJGZRMFFSJMQRC-LSDHHAIUSA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@H](C(=O)NCC1=CC[N@@H+](C[C@H](O)COC)CC1)N(C)C ZINC001284928959 955320785 /nfs/dbraw/zinc/32/07/85/955320785.db2.gz HJGZRMFFSJMQRC-LSDHHAIUSA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC(N)=O ZINC001367127327 955363487 /nfs/dbraw/zinc/36/34/87/955363487.db2.gz XQAPDBXXSSAWPR-CQSZACIVSA-N 1 3 306.410 0.332 20 0 DCADHO COC[C@H](O)C[N@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001284994373 955396511 /nfs/dbraw/zinc/39/65/11/955396511.db2.gz GDEUJFWLFMTJQV-OAHLLOKOSA-N 1 3 313.442 0.082 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001284994373 955396526 /nfs/dbraw/zinc/39/65/26/955396526.db2.gz GDEUJFWLFMTJQV-OAHLLOKOSA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001367288015 955592834 /nfs/dbraw/zinc/59/28/34/955592834.db2.gz KEVCFRCSUDJOEN-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001285558405 955794972 /nfs/dbraw/zinc/79/49/72/955794972.db2.gz QKHLUSKJMPRUQB-ISZGNANSSA-N 1 3 322.453 0.211 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001285558405 955794987 /nfs/dbraw/zinc/79/49/87/955794987.db2.gz QKHLUSKJMPRUQB-ISZGNANSSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCNCCC12CCC2 ZINC001353283755 956002701 /nfs/dbraw/zinc/00/27/01/956002701.db2.gz AKTMBLPJSQOSKS-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367404464 957776754 /nfs/dbraw/zinc/77/67/54/957776754.db2.gz MFRVKJMIGWALCN-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367404464 957776758 /nfs/dbraw/zinc/77/67/58/957776758.db2.gz MFRVKJMIGWALCN-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367418567 957792022 /nfs/dbraw/zinc/79/20/22/957792022.db2.gz XHXSFAVEDTWAAW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001446976932 1013161601 /nfs/dbraw/zinc/16/16/01/1013161601.db2.gz ZRUYYYMXHZRVRX-OLZOCXBDSA-N 1 3 321.425 0.161 20 0 DCADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001367476865 957866447 /nfs/dbraw/zinc/86/64/47/957866447.db2.gz ATQPBMPQYJWVBM-KBPBESRZSA-N 1 3 324.469 0.480 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367514822 957943145 /nfs/dbraw/zinc/94/31/45/957943145.db2.gz MUNBNPUUXFAEQU-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001367514822 957943152 /nfs/dbraw/zinc/94/31/52/957943152.db2.gz MUNBNPUUXFAEQU-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1scnc1C)N(C)C ZINC001367619883 958192749 /nfs/dbraw/zinc/19/27/49/958192749.db2.gz HKSQELDRSDLVJB-VXGBXAGGSA-N 1 3 314.455 0.358 20 0 DCADHO CN(CC(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@H]1O ZINC001361728336 958263777 /nfs/dbraw/zinc/26/37/77/958263777.db2.gz ULTJJPSPLKMRGQ-HZPDHXFCSA-N 1 3 318.421 0.575 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC1CC1 ZINC001367735618 958472386 /nfs/dbraw/zinc/47/23/86/958472386.db2.gz JOZFRXNRVHGYHB-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001367737920 958476041 /nfs/dbraw/zinc/47/60/41/958476041.db2.gz NIGNVVCTHZZALB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001367737920 958476049 /nfs/dbraw/zinc/47/60/49/958476049.db2.gz NIGNVVCTHZZALB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nccn1CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001361923210 958494242 /nfs/dbraw/zinc/49/42/42/958494242.db2.gz BDQLLVIZFONYFC-UHFFFAOYSA-N 1 3 307.442 0.581 20 0 DCADHO COc1ncc(CNC[C@H](C)NC(=O)CC[NH+](C)C)c(C)n1 ZINC001367752985 958499611 /nfs/dbraw/zinc/49/96/11/958499611.db2.gz KRWRQTVMBSNAPU-NSHDSACASA-N 1 3 309.414 0.340 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001376799964 958870913 /nfs/dbraw/zinc/87/09/13/958870913.db2.gz IHSHGNKTJGDBFZ-UKRRQHHQSA-N 1 3 309.458 0.643 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nnc(C)[nH]1 ZINC001367938467 958911762 /nfs/dbraw/zinc/91/17/62/958911762.db2.gz KUEXJMDOTQOXFQ-ZIAGYGMSSA-N 1 3 322.457 0.782 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376856263 958991582 /nfs/dbraw/zinc/99/15/82/958991582.db2.gz QPTGADAZTPODMK-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001491642989 958997617 /nfs/dbraw/zinc/99/76/17/958997617.db2.gz WTGOSMWLWQLMAV-KBPBESRZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N[C@@H](C)C1CC1 ZINC001491643058 959002578 /nfs/dbraw/zinc/00/25/78/959002578.db2.gz WYRYPJITAHBAJI-OLZOCXBDSA-N 1 3 322.453 0.091 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001491650958 959015918 /nfs/dbraw/zinc/01/59/18/959015918.db2.gz OEWXGIBHIZOQTL-DGCLKSJQSA-N 1 3 321.425 0.271 20 0 DCADHO C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@@H]1CCCNC1=O ZINC001491694552 959064843 /nfs/dbraw/zinc/06/48/43/959064843.db2.gz ZPLPROUBADPTIZ-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CCC(CC)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001376896056 959087654 /nfs/dbraw/zinc/08/76/54/959087654.db2.gz LWDNXKGOENVIGZ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001376949108 959187628 /nfs/dbraw/zinc/18/76/28/959187628.db2.gz HYAFWYOMBYBXPP-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001376948805 959189301 /nfs/dbraw/zinc/18/93/01/959189301.db2.gz GGSQXINBXRXAPO-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001368117947 959274531 /nfs/dbraw/zinc/27/45/31/959274531.db2.gz NHDGCHLRTPRGOS-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001491850627 959303174 /nfs/dbraw/zinc/30/31/74/959303174.db2.gz VRGHMWVLOODOJN-HOTGVXAUSA-N 1 3 321.469 0.907 20 0 DCADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NCc1nccn1C ZINC001377060607 959407761 /nfs/dbraw/zinc/40/77/61/959407761.db2.gz PTXMCNYYXACZSN-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cnnn1C ZINC001377066044 959418327 /nfs/dbraw/zinc/41/83/27/959418327.db2.gz IQJOPRWHZBRTAZ-QWHCGFSZSA-N 1 3 308.430 0.141 20 0 DCADHO CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001368427156 959846537 /nfs/dbraw/zinc/84/65/37/959846537.db2.gz WRABZNLKMXNYAO-AAEUAGOBSA-N 1 3 307.398 0.044 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001368610120 960084475 /nfs/dbraw/zinc/08/44/75/960084475.db2.gz SJWOXHDDXGBLNO-YDHLFZDLSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001377464624 960142286 /nfs/dbraw/zinc/14/22/86/960142286.db2.gz WBYNMBIGDGQKGO-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001377464624 960142292 /nfs/dbraw/zinc/14/22/92/960142292.db2.gz WBYNMBIGDGQKGO-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001377555752 960272073 /nfs/dbraw/zinc/27/20/73/960272073.db2.gz VXNFRGRDJZBMRQ-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001377555752 960272080 /nfs/dbraw/zinc/27/20/80/960272080.db2.gz VXNFRGRDJZBMRQ-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@H](F)CN1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001377554840 960272443 /nfs/dbraw/zinc/27/24/43/960272443.db2.gz ZNLHNHMYNQWHAX-KBPBESRZSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@H](F)CN1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001377554840 960272451 /nfs/dbraw/zinc/27/24/51/960272451.db2.gz ZNLHNHMYNQWHAX-KBPBESRZSA-N 1 3 315.433 0.772 20 0 DCADHO CCCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317064561 960340242 /nfs/dbraw/zinc/34/02/42/960340242.db2.gz GPLNJYORAAJSLN-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001377636706 960379564 /nfs/dbraw/zinc/37/95/64/960379564.db2.gz FJKLVMKOTORLPI-KBPBESRZSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001377636706 960379573 /nfs/dbraw/zinc/37/95/73/960379573.db2.gz FJKLVMKOTORLPI-KBPBESRZSA-N 1 3 303.422 0.581 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001377728379 960513735 /nfs/dbraw/zinc/51/37/35/960513735.db2.gz QZIDSRCVCAPWTR-PIMMBPRGSA-N 1 3 307.442 0.745 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378366870 960658760 /nfs/dbraw/zinc/65/87/60/960658760.db2.gz BJITZICWLVRBKT-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378366870 960658769 /nfs/dbraw/zinc/65/87/69/960658769.db2.gz BJITZICWLVRBKT-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCN1C(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001378407196 960709833 /nfs/dbraw/zinc/70/98/33/960709833.db2.gz BCOWWZCWSKYHRE-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCC2)CC1 ZINC001378452551 960779705 /nfs/dbraw/zinc/77/97/05/960779705.db2.gz IHDUGGCWDDHUDD-SHTZXODSSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)N1CCC1 ZINC001378577079 961057040 /nfs/dbraw/zinc/05/70/40/961057040.db2.gz ZCNAFYFQCJDFFP-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nc1C)N(C)C ZINC001378582515 961076627 /nfs/dbraw/zinc/07/66/27/961076627.db2.gz UIICHJYHEAOODZ-IUODEOHRSA-N 1 3 309.458 0.911 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H](N)Cc3ccccc3)C[C@@H]2[NH3+])cn1 ZINC001549033617 1013237660 /nfs/dbraw/zinc/23/76/60/1013237660.db2.gz YHUYXSMCWRWSNP-XHSDSOJGSA-N 1 3 313.405 0.243 20 0 DCADHO NC(C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1)C(F)(F)F ZINC001549032896 1013238944 /nfs/dbraw/zinc/23/89/44/1013238944.db2.gz ZCLIFDPHDORZPJ-IEBDPFPHSA-N 1 3 305.275 0.968 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001378704824 961313629 /nfs/dbraw/zinc/31/36/29/961313629.db2.gz ORAKHAJQYJKWAI-MIGQKNRLSA-N 1 3 309.454 0.800 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001378704824 961313653 /nfs/dbraw/zinc/31/36/53/961313653.db2.gz ORAKHAJQYJKWAI-MIGQKNRLSA-N 1 3 309.454 0.800 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC001549047651 1013249233 /nfs/dbraw/zinc/24/92/33/1013249233.db2.gz VSLFWWVBIPXSSI-JSGCOSHPSA-N 1 3 306.414 0.290 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378775558 961453472 /nfs/dbraw/zinc/45/34/72/961453472.db2.gz MIKWQUZGFXKAJY-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001378145622 961525364 /nfs/dbraw/zinc/52/53/64/961525364.db2.gz IGUBLBIYJBDJLH-UONOGXRCSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001378145622 961525378 /nfs/dbraw/zinc/52/53/78/961525378.db2.gz IGUBLBIYJBDJLH-UONOGXRCSA-N 1 3 303.422 0.581 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001378831055 961557781 /nfs/dbraw/zinc/55/77/81/961557781.db2.gz KQDPHDNHXHOKGB-JOCQHMNTSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001378871045 961636765 /nfs/dbraw/zinc/63/67/65/961636765.db2.gz XLBLRGBSLCHFPL-YDHLFZDLSA-N 1 3 322.457 0.623 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001378875713 961643545 /nfs/dbraw/zinc/64/35/45/961643545.db2.gz DIRWQNDPXOPWOM-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001378875713 961643556 /nfs/dbraw/zinc/64/35/56/961643556.db2.gz DIRWQNDPXOPWOM-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CO[C@H](C)CN(C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001379116964 962144532 /nfs/dbraw/zinc/14/45/32/962144532.db2.gz LCDNTUTXXPBEIQ-CQSZACIVSA-N 1 3 315.458 0.522 20 0 DCADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)C12CC[NH+](CC1)C2 ZINC001379875656 962194930 /nfs/dbraw/zinc/19/49/30/962194930.db2.gz OAZYFVQHVWDPCL-OAHLLOKOSA-N 1 3 318.421 0.086 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001379913378 962282722 /nfs/dbraw/zinc/28/27/22/962282722.db2.gz DGDUFYZNJAXRQU-OCCSQVGLSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001379913378 962282734 /nfs/dbraw/zinc/28/27/34/962282734.db2.gz DGDUFYZNJAXRQU-OCCSQVGLSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001379941383 962348603 /nfs/dbraw/zinc/34/86/03/962348603.db2.gz UTCAWVFGNNYNEZ-QWHCGFSZSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001379941383 962348616 /nfs/dbraw/zinc/34/86/16/962348616.db2.gz UTCAWVFGNNYNEZ-QWHCGFSZSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1 ZINC001379210385 962370843 /nfs/dbraw/zinc/37/08/43/962370843.db2.gz ZOQJYIKLIUFMTG-INIZCTEOSA-N 1 3 320.437 0.441 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001379218453 962386884 /nfs/dbraw/zinc/38/68/84/962386884.db2.gz IQIVTZAZBJYHFD-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001447292884 1013350097 /nfs/dbraw/zinc/35/00/97/1013350097.db2.gz ZBPPYARAOJXRGY-UONOGXRCSA-N 1 3 313.442 0.323 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001379381758 962779706 /nfs/dbraw/zinc/77/97/06/962779706.db2.gz LFIYRCQYRZDIPT-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001364344732 962932693 /nfs/dbraw/zinc/93/26/93/962932693.db2.gz FZIVLIXBOZGVGL-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001364344732 962932705 /nfs/dbraw/zinc/93/27/05/962932705.db2.gz FZIVLIXBOZGVGL-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001379518066 963115645 /nfs/dbraw/zinc/11/56/45/963115645.db2.gz YOKJBZBECGZCHP-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001379518066 963115649 /nfs/dbraw/zinc/11/56/49/963115649.db2.gz YOKJBZBECGZCHP-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001379555177 963174104 /nfs/dbraw/zinc/17/41/04/963174104.db2.gz ZOMFYVFHUIKFNW-STQMWFEESA-N 1 3 320.437 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cncn2C)[C@H]1C ZINC001379564495 963188272 /nfs/dbraw/zinc/18/82/72/963188272.db2.gz DRPDRNSIQWMYKW-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cncn2C)[C@H]1C ZINC001379564495 963188281 /nfs/dbraw/zinc/18/82/81/963188281.db2.gz DRPDRNSIQWMYKW-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCC2CC2)C1)N(C)C ZINC001380540367 963329210 /nfs/dbraw/zinc/32/92/10/963329210.db2.gz VRAXPLKKKGDJMR-DOTOQJQBSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCC2CC2)C1)N(C)C ZINC001380540367 963329220 /nfs/dbraw/zinc/32/92/20/963329220.db2.gz VRAXPLKKKGDJMR-DOTOQJQBSA-N 1 3 311.470 0.926 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2cn(C)nn2)C1 ZINC001380675911 963480765 /nfs/dbraw/zinc/48/07/65/963480765.db2.gz VBUWZLTXOKEECH-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2cn(C)nn2)C1 ZINC001380675911 963480768 /nfs/dbraw/zinc/48/07/68/963480768.db2.gz VBUWZLTXOKEECH-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO Cc1oncc1CN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001380706174 963508187 /nfs/dbraw/zinc/50/81/87/963508187.db2.gz SRCJAGSBJDJNKS-GASCZTMLSA-N 1 3 306.410 0.825 20 0 DCADHO CC[C@H](C(=O)NCCN1CCC([NH2+]CC2CC2)CC1)N(C)C ZINC001380713546 963515740 /nfs/dbraw/zinc/51/57/40/963515740.db2.gz MHMNPQAIVHQWMX-MRXNPFEDSA-N 1 3 310.486 0.907 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001447447616 1013427105 /nfs/dbraw/zinc/42/71/05/1013427105.db2.gz OCYRRURLXMBBLF-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001447447616 1013427111 /nfs/dbraw/zinc/42/71/11/1013427111.db2.gz OCYRRURLXMBBLF-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381021525 963769430 /nfs/dbraw/zinc/76/94/30/963769430.db2.gz KVQDYPDXIFEFMD-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN(CC)CC ZINC001375158136 964077087 /nfs/dbraw/zinc/07/70/87/964077087.db2.gz DQSITWADHXMCJQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)N(C)C ZINC001375227250 964151729 /nfs/dbraw/zinc/15/17/29/964151729.db2.gz BHEFGADKGXQWMY-GXTWGEPZSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]C[C@H]2CCOC2)C2CC2)CCC1 ZINC001375229606 964155152 /nfs/dbraw/zinc/15/51/52/964155152.db2.gz OIEPVDDTLMMCBB-UKRRQHHQSA-N 1 3 309.454 0.992 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001368991056 964249609 /nfs/dbraw/zinc/24/96/09/964249609.db2.gz CUQBQSNIFCVSLQ-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001368991056 964249621 /nfs/dbraw/zinc/24/96/21/964249621.db2.gz CUQBQSNIFCVSLQ-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001375495141 964476012 /nfs/dbraw/zinc/47/60/12/964476012.db2.gz XLWHRZCSGBTQPZ-BETUJISGSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CC[C@H](NC2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1=O ZINC001375528898 964517583 /nfs/dbraw/zinc/51/75/83/964517583.db2.gz FHMAJSWTMWPYQM-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001375574738 964567511 /nfs/dbraw/zinc/56/75/11/964567511.db2.gz DDDHRLOOJLYBQU-MJBXVCDLSA-N 1 3 324.425 0.142 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1cnnn1C ZINC001373759791 964585213 /nfs/dbraw/zinc/58/52/13/964585213.db2.gz LXHFANDJROIPAR-ZFWWWQNUSA-N 1 3 322.457 0.674 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)NCc1cnnn1C ZINC001373759791 964585222 /nfs/dbraw/zinc/58/52/22/964585222.db2.gz LXHFANDJROIPAR-ZFWWWQNUSA-N 1 3 322.457 0.674 20 0 DCADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001373799551 964646758 /nfs/dbraw/zinc/64/67/58/964646758.db2.gz VVHFQWUBIJWZNA-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001373916289 964782556 /nfs/dbraw/zinc/78/25/56/964782556.db2.gz OTUHEGZMMDMGOD-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001373950218 964808924 /nfs/dbraw/zinc/80/89/24/964808924.db2.gz PFVIBXVEZCWBRP-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001373950218 964808930 /nfs/dbraw/zinc/80/89/30/964808930.db2.gz PFVIBXVEZCWBRP-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001375763800 964809600 /nfs/dbraw/zinc/80/96/00/964809600.db2.gz AUEAQCRWERTOAT-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC)CC[N@@H+]1C ZINC001373958968 964819459 /nfs/dbraw/zinc/81/94/59/964819459.db2.gz DVBILRQUXOFQFA-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC)CC[N@H+]1C ZINC001373958968 964819468 /nfs/dbraw/zinc/81/94/68/964819468.db2.gz DVBILRQUXOFQFA-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001373962162 964822197 /nfs/dbraw/zinc/82/21/97/964822197.db2.gz XBFOMTSWEMOLEA-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001369397259 964894863 /nfs/dbraw/zinc/89/48/63/964894863.db2.gz FDRUEHLGZUFFPV-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cncn2C)CN1C(=O)CCC[NH+](C)C ZINC001369405678 964909427 /nfs/dbraw/zinc/90/94/27/964909427.db2.gz PMIULQDJDWXIMF-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1cnc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001374078918 964986061 /nfs/dbraw/zinc/98/60/61/964986061.db2.gz PATIGTCJMGZJTL-ZIAGYGMSSA-N 1 3 319.453 0.969 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccsc1)N(C)C ZINC001369468366 965032034 /nfs/dbraw/zinc/03/20/34/965032034.db2.gz FKUWIDJQXVNIDQ-UONOGXRCSA-N 1 3 313.467 0.997 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCF)C1 ZINC001369502398 965100751 /nfs/dbraw/zinc/10/07/51/965100751.db2.gz FSTFAXOHORZULH-KBPBESRZSA-N 1 3 303.422 0.439 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCCF)C1 ZINC001369502398 965100746 /nfs/dbraw/zinc/10/07/46/965100746.db2.gz FSTFAXOHORZULH-KBPBESRZSA-N 1 3 303.422 0.439 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C)C(N)=O ZINC001369550749 965163025 /nfs/dbraw/zinc/16/30/25/965163025.db2.gz UYLJJLXGGCNFAR-VXGBXAGGSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1)N(C)C ZINC001369580131 965191846 /nfs/dbraw/zinc/19/18/46/965191846.db2.gz VTDQUXNJFOFHNM-SSDMNJCBSA-N 1 3 307.442 0.839 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374311526 965264994 /nfs/dbraw/zinc/26/49/94/965264994.db2.gz HGLXTPRAEWCULT-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374311526 965265003 /nfs/dbraw/zinc/26/50/03/965265003.db2.gz HGLXTPRAEWCULT-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001369718252 965333080 /nfs/dbraw/zinc/33/30/80/965333080.db2.gz DRMQJRXJQRWZBR-NWDGAFQWSA-N 1 3 323.441 0.612 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001369718252 965333089 /nfs/dbraw/zinc/33/30/89/965333089.db2.gz DRMQJRXJQRWZBR-NWDGAFQWSA-N 1 3 323.441 0.612 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001374400057 965340809 /nfs/dbraw/zinc/34/08/09/965340809.db2.gz XCSJKBISSXPUNV-QWHCGFSZSA-N 1 3 321.425 0.305 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(N)=O ZINC001369746947 965350837 /nfs/dbraw/zinc/35/08/37/965350837.db2.gz LOALGYKOQNQUOC-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(N)=O ZINC001369746947 965350844 /nfs/dbraw/zinc/35/08/44/965350844.db2.gz LOALGYKOQNQUOC-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)NCC(N)=O ZINC001374440974 965394034 /nfs/dbraw/zinc/39/40/34/965394034.db2.gz BPBINKHTXKDYON-CQSZACIVSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](C(=O)NCCN1CCN(CCCF)CC1)[NH+](C)C ZINC001369932494 965580411 /nfs/dbraw/zinc/58/04/11/965580411.db2.gz IHJGCKXTPMABFO-OAHLLOKOSA-N 1 3 316.465 0.666 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@]1(CO)CCCN(CCCF)C1 ZINC001376478562 965712364 /nfs/dbraw/zinc/71/23/64/965712364.db2.gz HFSGDSJAJXFNFO-HNNXBMFYSA-N 1 3 303.422 0.631 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001376487759 965723667 /nfs/dbraw/zinc/72/36/67/965723667.db2.gz JEVMYUSGJMSCRS-VNHYZAJKSA-N 1 3 307.442 0.743 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001376487753 965724717 /nfs/dbraw/zinc/72/47/17/965724717.db2.gz JEVMYUSGJMSCRS-GUTXKFCHSA-N 1 3 307.442 0.743 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)C1=O ZINC001376491085 965729941 /nfs/dbraw/zinc/72/99/41/965729941.db2.gz QBJWKUGONJEEHO-XGUBFFRZSA-N 1 3 324.469 0.430 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001376550786 965816313 /nfs/dbraw/zinc/81/63/13/965816313.db2.gz PJLULAFHCWRQBW-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001376550980 965819847 /nfs/dbraw/zinc/81/98/47/965819847.db2.gz YMMNEBSAMFKDCQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001374728158 965824471 /nfs/dbraw/zinc/82/44/71/965824471.db2.gz ISIQNRJPYRPPAT-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001374728158 965824482 /nfs/dbraw/zinc/82/44/82/965824482.db2.gz ISIQNRJPYRPPAT-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001374758837 965876316 /nfs/dbraw/zinc/87/63/16/965876316.db2.gz XTUYOHHLDCQNST-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001376602425 965880242 /nfs/dbraw/zinc/88/02/42/965880242.db2.gz ZBXYFWBNAGNKQJ-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001376612847 965891393 /nfs/dbraw/zinc/89/13/93/965891393.db2.gz QVKSJCQFYUWWNF-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001376612847 965891404 /nfs/dbraw/zinc/89/14/04/965891404.db2.gz QVKSJCQFYUWWNF-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1)N(C)C ZINC001374771677 965896410 /nfs/dbraw/zinc/89/64/10/965896410.db2.gz IITXKXIQOOJEOO-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1)N(C)C ZINC001374771677 965896415 /nfs/dbraw/zinc/89/64/15/965896415.db2.gz IITXKXIQOOJEOO-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001376620301 965901694 /nfs/dbraw/zinc/90/16/94/965901694.db2.gz VDSPOSQUUMDZCP-AVGNSLFASA-N 1 3 321.425 0.399 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCCC1)NC(=O)CC[NH+](C)C ZINC001374810786 965962640 /nfs/dbraw/zinc/96/26/40/965962640.db2.gz IWJDDRLPIMVSBE-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001374827697 965993605 /nfs/dbraw/zinc/99/36/05/965993605.db2.gz DGQFWAYXQYLWFL-VXGBXAGGSA-N 1 3 310.442 0.077 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001370311441 965996808 /nfs/dbraw/zinc/99/68/08/965996808.db2.gz HBJINFFAFWTWHR-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001370311441 965996824 /nfs/dbraw/zinc/99/68/24/965996824.db2.gz HBJINFFAFWTWHR-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001370398755 966081133 /nfs/dbraw/zinc/08/11/33/966081133.db2.gz XFBZSDJLTXDJFG-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001370398755 966081148 /nfs/dbraw/zinc/08/11/48/966081148.db2.gz XFBZSDJLTXDJFG-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001370480818 966170893 /nfs/dbraw/zinc/17/08/93/966170893.db2.gz CDJQVLIXJXONPY-HDJSIYSDSA-N 1 3 305.426 0.641 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001370545886 966232897 /nfs/dbraw/zinc/23/28/97/966232897.db2.gz HISNUPGEOLFOIG-MGPQQGTHSA-N 1 3 312.458 0.336 20 0 DCADHO Cn1nccc1CCN1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001370891334 966566524 /nfs/dbraw/zinc/56/65/24/966566524.db2.gz ZQLKGWPDVLDIPJ-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001381924228 966784104 /nfs/dbraw/zinc/78/41/04/966784104.db2.gz GNCATNBGWOVQFG-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001381924228 966784108 /nfs/dbraw/zinc/78/41/08/966784108.db2.gz GNCATNBGWOVQFG-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001371183254 966791312 /nfs/dbraw/zinc/79/13/12/966791312.db2.gz YCTWQSHYKRENAG-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001371183254 966791315 /nfs/dbraw/zinc/79/13/15/966791315.db2.gz YCTWQSHYKRENAG-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC(NC(=O)CC[NH+](C)C)C1 ZINC001371200122 966805345 /nfs/dbraw/zinc/80/53/45/966805345.db2.gz SFEQJNIIUUTLHL-JXQTWKCFSA-N 1 3 310.442 0.138 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001381961788 966817985 /nfs/dbraw/zinc/81/79/85/966817985.db2.gz JVRNGHSRCNCLLZ-UMVBOHGHSA-N 1 3 322.453 0.186 20 0 DCADHO CCCC[C@H](N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001371261877 966856334 /nfs/dbraw/zinc/85/63/34/966856334.db2.gz MUGHYOJAKNGNPG-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)CC[N@@H+]1C ZINC001371514741 967064727 /nfs/dbraw/zinc/06/47/27/967064727.db2.gz XLOLHAFCVMEPQM-VHDGCEQUSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)CC[N@H+]1C ZINC001371514741 967064741 /nfs/dbraw/zinc/06/47/41/967064741.db2.gz XLOLHAFCVMEPQM-VHDGCEQUSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1)N(C)C ZINC001382215326 967081653 /nfs/dbraw/zinc/08/16/53/967081653.db2.gz TZTISDFRQZJYIO-GJZGRUSLSA-N 1 3 315.458 0.066 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001371555524 967113444 /nfs/dbraw/zinc/11/34/44/967113444.db2.gz KIJJZBXSIZQIKL-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C[C@H]1C ZINC001382307228 967194715 /nfs/dbraw/zinc/19/47/15/967194715.db2.gz FFOSYGPKPWZVBO-ZBFHGGJFSA-N 1 3 321.469 0.882 20 0 DCADHO Cc1cnc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCN2C)cn1 ZINC001371735124 967295344 /nfs/dbraw/zinc/29/53/44/967295344.db2.gz RNPITZHHRLDYIJ-SWLSCSKDSA-N 1 3 305.426 0.864 20 0 DCADHO COc1cc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001371878168 967414907 /nfs/dbraw/zinc/41/49/07/967414907.db2.gz JLFSMYUFLCVVGN-NWDGAFQWSA-N 1 3 310.398 0.619 20 0 DCADHO COc1cc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001371878168 967414912 /nfs/dbraw/zinc/41/49/12/967414912.db2.gz JLFSMYUFLCVVGN-NWDGAFQWSA-N 1 3 310.398 0.619 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001371890033 967421814 /nfs/dbraw/zinc/42/18/14/967421814.db2.gz WCDVCWPOVOUIRY-AWEZNQCLSA-N 1 3 322.453 0.710 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)CCO[C@H]1CC1(F)F ZINC001372163523 967701973 /nfs/dbraw/zinc/70/19/73/967701973.db2.gz XGCUQMKKPCNJQY-ZDUSSCGKSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382989580 967830648 /nfs/dbraw/zinc/83/06/48/967830648.db2.gz AUGIVBCSCFUWFE-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382989580 967830660 /nfs/dbraw/zinc/83/06/60/967830660.db2.gz AUGIVBCSCFUWFE-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001372507847 968061447 /nfs/dbraw/zinc/06/14/47/968061447.db2.gz MNDSYCSMHOXRSK-AWEZNQCLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001372646560 968212713 /nfs/dbraw/zinc/21/27/13/968212713.db2.gz GYKKOTYCKDLOEI-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001373226547 968826969 /nfs/dbraw/zinc/82/69/69/968826969.db2.gz SYWKMSXGNHDSGB-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO COc1cncc(CNC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001448512891 1013937328 /nfs/dbraw/zinc/93/73/28/1013937328.db2.gz XNCLTLVGYRAHGA-JOCQHMNTSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@H](NC[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001448598822 1013963976 /nfs/dbraw/zinc/96/39/76/1013963976.db2.gz XDAKUZZITXEPCT-SMDDNHRTSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001448664748 1013987901 /nfs/dbraw/zinc/98/79/01/1013987901.db2.gz UKUZDSMDTKRHGE-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C[C@@H](O)CNCc1cncs1)C(=O)C12CC[NH+](CC1)C2 ZINC001449159942 1014254276 /nfs/dbraw/zinc/25/42/76/1014254276.db2.gz MGSNVNKONMMCSQ-LBPRGKRZSA-N 1 3 324.450 0.148 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)C12CCC[NH+]1CCC2 ZINC001522761287 1014353348 /nfs/dbraw/zinc/35/33/48/1014353348.db2.gz FUKVZRSOBQDSIP-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C(C)(C)C)C1CCC1 ZINC001449292148 1014386311 /nfs/dbraw/zinc/38/63/11/1014386311.db2.gz JWWJZLKDOVVPMT-KGLIPLIRSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549743759 1014441204 /nfs/dbraw/zinc/44/12/04/1014441204.db2.gz YFLIKVQJQAEYKE-WBMJQRKESA-N 1 3 319.409 0.024 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCNC(=O)CN(C)C2CCC2)C1 ZINC001522940949 1014483443 /nfs/dbraw/zinc/48/34/43/1014483443.db2.gz DNCXTFXYTFAGGW-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCNC(=O)CN(C)C2CCC2)C1 ZINC001522940949 1014483447 /nfs/dbraw/zinc/48/34/47/1014483447.db2.gz DNCXTFXYTFAGGW-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001449453280 1014486521 /nfs/dbraw/zinc/48/65/21/1014486521.db2.gz ASYRARWQLZLTDV-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001449453280 1014486526 /nfs/dbraw/zinc/48/65/26/1014486526.db2.gz ASYRARWQLZLTDV-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)CC[NH+](C)C ZINC001449474239 1014494793 /nfs/dbraw/zinc/49/47/93/1014494793.db2.gz AORZAEIBGYTIQC-UHFFFAOYSA-N 1 3 309.414 0.177 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001523060476 1014535942 /nfs/dbraw/zinc/53/59/42/1014535942.db2.gz AGCJKVITDPGQRD-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001550064290 1014542729 /nfs/dbraw/zinc/54/27/29/1014542729.db2.gz BQOMCMOFAQJVJL-OCCSQVGLSA-N 1 3 317.368 0.585 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C[C@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001550174680 1014611844 /nfs/dbraw/zinc/61/18/44/1014611844.db2.gz IPKHQIJOFNZIBM-ZIAGYGMSSA-N 1 3 312.433 0.492 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001550201518 1014625854 /nfs/dbraw/zinc/62/58/54/1014625854.db2.gz YMCRETAJKGLYHD-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC001550205755 1014628912 /nfs/dbraw/zinc/62/89/12/1014628912.db2.gz XNIWSBRIUMQHCF-ZIAGYGMSSA-N 1 3 322.453 0.446 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)C1 ZINC001550275667 1014645577 /nfs/dbraw/zinc/64/55/77/1014645577.db2.gz FLLDKWKUEAQNRV-BFHYXJOUSA-N 1 3 310.442 0.225 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550278818 1014647638 /nfs/dbraw/zinc/64/76/38/1014647638.db2.gz BURQOOFNXXNUNF-JALIKCBVSA-N 1 3 310.442 0.537 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1F ZINC001550290268 1014655716 /nfs/dbraw/zinc/65/57/16/1014655716.db2.gz YFUACLPFLXUVER-SOUVJXGZSA-N 1 3 306.385 0.782 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001550602375 1014773156 /nfs/dbraw/zinc/77/31/56/1014773156.db2.gz MZICXRMJOPXZTF-KFWWJZLASA-N 1 3 320.441 0.464 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001550602375 1014773166 /nfs/dbraw/zinc/77/31/66/1014773166.db2.gz MZICXRMJOPXZTF-KFWWJZLASA-N 1 3 320.441 0.464 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001530511328 1014783832 /nfs/dbraw/zinc/78/38/32/1014783832.db2.gz JFNMXFMWGFOGOE-CQSZACIVSA-N 1 3 319.409 0.154 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001530511328 1014783839 /nfs/dbraw/zinc/78/38/39/1014783839.db2.gz JFNMXFMWGFOGOE-CQSZACIVSA-N 1 3 319.409 0.154 20 0 DCADHO Cc1c([C@@H]2CN(C[C@@H]3CCCC[NH2+]C3)C[C@@H]2C(N)=O)cnn1C ZINC001550700613 1014808331 /nfs/dbraw/zinc/80/83/31/1014808331.db2.gz CKRGFVBNZBPIOO-KBMXLJTQSA-N 1 3 319.453 0.619 20 0 DCADHO CC1(C)CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCN1 ZINC001550754974 1014841061 /nfs/dbraw/zinc/84/10/61/1014841061.db2.gz FUVGFINVRLRYOS-CYBMUJFWSA-N 1 3 310.442 0.539 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)NC2CC([NH3+])C2)CC1 ZINC001551497399 1015116633 /nfs/dbraw/zinc/11/66/33/1015116633.db2.gz GWKKUXQRMKWTHX-UHFFFAOYSA-N 1 3 310.442 0.809 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001384452728 985591268 /nfs/dbraw/zinc/59/12/68/985591268.db2.gz SOODGTUWNALWLS-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001384452728 985591275 /nfs/dbraw/zinc/59/12/75/985591275.db2.gz SOODGTUWNALWLS-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001384452724 985591487 /nfs/dbraw/zinc/59/14/87/985591487.db2.gz SOODGTUWNALWLS-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001384452724 985591495 /nfs/dbraw/zinc/59/14/95/985591495.db2.gz SOODGTUWNALWLS-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)[C@H]1C ZINC001551560772 1015138439 /nfs/dbraw/zinc/13/84/39/1015138439.db2.gz OIJXCPKTRJACLX-UKJIMTQDSA-N 1 3 320.359 0.920 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385297096 986224672 /nfs/dbraw/zinc/22/46/72/986224672.db2.gz LDJFUSUYVPXJBL-ZIAGYGMSSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001385735902 986559502 /nfs/dbraw/zinc/55/95/02/986559502.db2.gz MILUKFVCSKESMO-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001385841086 986624314 /nfs/dbraw/zinc/62/43/14/986624314.db2.gz HCRVYMYPRIWLFT-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001385841086 986624317 /nfs/dbraw/zinc/62/43/17/986624317.db2.gz HCRVYMYPRIWLFT-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386005825 986749769 /nfs/dbraw/zinc/74/97/69/986749769.db2.gz DXGNPVCWCQOVFL-APIJFGDWSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386005825 986749778 /nfs/dbraw/zinc/74/97/78/986749778.db2.gz DXGNPVCWCQOVFL-APIJFGDWSA-N 1 3 324.469 0.288 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386020160 986758692 /nfs/dbraw/zinc/75/86/92/986758692.db2.gz AYEDERFWFZROPJ-BYNSBNAKSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386020160 986758703 /nfs/dbraw/zinc/75/87/03/986758703.db2.gz AYEDERFWFZROPJ-BYNSBNAKSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1c([C@H]2C[NH2+]C[C@H]2C(=O)N2CCNC(C)(C)C2)cnn1C ZINC001552089098 1015264584 /nfs/dbraw/zinc/26/45/84/1015264584.db2.gz ZWSCKWZXANDNIM-ZIAGYGMSSA-N 1 3 305.426 0.242 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552186347 1015310099 /nfs/dbraw/zinc/31/00/99/1015310099.db2.gz JOGFYUCSAZABTR-WMLDXEAASA-N 1 3 324.469 0.868 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001387000767 987558115 /nfs/dbraw/zinc/55/81/15/987558115.db2.gz CWYKJVMCVFEWAK-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201249 1015321611 /nfs/dbraw/zinc/32/16/11/1015321611.db2.gz ZVLYNIFELVBROJ-NUJGCVRESA-N 1 3 315.417 0.613 20 0 DCADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001388329861 988207528 /nfs/dbraw/zinc/20/75/28/988207528.db2.gz XITOZDSZBRPQMH-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001388329861 988207537 /nfs/dbraw/zinc/20/75/37/988207537.db2.gz XITOZDSZBRPQMH-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)CCN(C2CC2)C1 ZINC001552340204 1015393553 /nfs/dbraw/zinc/39/35/53/1015393553.db2.gz PCTOWNFVFQYVJF-CQSZACIVSA-N 1 3 323.485 0.535 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001388756410 988563053 /nfs/dbraw/zinc/56/30/53/988563053.db2.gz DGTQXMUSQJYTID-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001389255832 989037958 /nfs/dbraw/zinc/03/79/58/989037958.db2.gz LZKMBJZNYLKMJJ-ZDUSSCGKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001389255832 989037973 /nfs/dbraw/zinc/03/79/73/989037973.db2.gz LZKMBJZNYLKMJJ-ZDUSSCGKSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](NCc1cnnn1C)C1CC1)[NH+](C)C ZINC001389700217 989499333 /nfs/dbraw/zinc/49/93/33/989499333.db2.gz ZFTFPNNBHNZJEG-LSDHHAIUSA-N 1 3 322.457 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN(C)C(C)C ZINC001389739585 989532353 /nfs/dbraw/zinc/53/23/53/989532353.db2.gz NZVLCIQVDSCBTP-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN(C)C(C)C ZINC001389739585 989532361 /nfs/dbraw/zinc/53/23/61/989532361.db2.gz NZVLCIQVDSCBTP-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001389859171 989642283 /nfs/dbraw/zinc/64/22/83/989642283.db2.gz UXAREXZNJPTVJG-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001389859171 989642285 /nfs/dbraw/zinc/64/22/85/989642285.db2.gz UXAREXZNJPTVJG-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001389959796 989710129 /nfs/dbraw/zinc/71/01/29/989710129.db2.gz RXZUTRAWEDFJNW-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001389986029 989730629 /nfs/dbraw/zinc/73/06/29/989730629.db2.gz STFNOAXAZDIQSR-RFQIPJPRSA-N 1 3 320.441 0.342 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC001389997395 989737021 /nfs/dbraw/zinc/73/70/21/989737021.db2.gz DSNJGEGTJOQQPT-ZNMIVQPWSA-N 1 3 322.457 0.472 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001390011526 989746265 /nfs/dbraw/zinc/74/62/65/989746265.db2.gz OTVHCRPNFGJBFR-VNHYZAJKSA-N 1 3 322.457 0.621 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390149968 989870304 /nfs/dbraw/zinc/87/03/04/989870304.db2.gz JBTBIADDGKKKGP-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccnn2C)CC[N@@H+]1C ZINC001390367145 990032120 /nfs/dbraw/zinc/03/21/20/990032120.db2.gz LNIJQTPZHMEZBM-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccnn2C)CC[N@H+]1C ZINC001390367145 990032125 /nfs/dbraw/zinc/03/21/25/990032125.db2.gz LNIJQTPZHMEZBM-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001527762295 1015541607 /nfs/dbraw/zinc/54/16/07/1015541607.db2.gz ZOBVGLRGRQNXTC-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO COc1cc(CNC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)on1 ZINC001390588561 990223201 /nfs/dbraw/zinc/22/32/01/990223201.db2.gz AWJVMHGRPPICRZ-CYBMUJFWSA-N 1 3 324.425 0.963 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001390719069 990325084 /nfs/dbraw/zinc/32/50/84/990325084.db2.gz MIJKDZVFTPWBNB-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)ncn1 ZINC001390719069 990325089 /nfs/dbraw/zinc/32/50/89/990325089.db2.gz MIJKDZVFTPWBNB-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO N[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[C@@H]1F ZINC001552915761 1015563349 /nfs/dbraw/zinc/56/33/49/1015563349.db2.gz RNAPUAQNOOTHAZ-STQMWFEESA-N 1 3 307.373 0.003 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NCCN(CCO)C2CC2)cc1 ZINC001391188872 990652397 /nfs/dbraw/zinc/65/23/97/990652397.db2.gz KDTIMIZIJWQOTN-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001391226053 990685536 /nfs/dbraw/zinc/68/55/36/990685536.db2.gz HFEWOOSLWYKYOU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001391335387 990753322 /nfs/dbraw/zinc/75/33/22/990753322.db2.gz GIYJDMWHCDRDDC-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001391354002 990775301 /nfs/dbraw/zinc/77/53/01/990775301.db2.gz NKRIAYMEJQTZFT-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001391354002 990775306 /nfs/dbraw/zinc/77/53/06/990775306.db2.gz NKRIAYMEJQTZFT-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC001391503267 990900183 /nfs/dbraw/zinc/90/01/83/990900183.db2.gz DADUDVLBPZIMOB-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001392046936 991432219 /nfs/dbraw/zinc/43/22/19/991432219.db2.gz CDMZISCRYPQHBY-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392060099 991450750 /nfs/dbraw/zinc/45/07/50/991450750.db2.gz KARGCFGKOWAURW-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001392062976 991453328 /nfs/dbraw/zinc/45/33/28/991453328.db2.gz PFTIIPXKCLZNHM-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001392062976 991453338 /nfs/dbraw/zinc/45/33/38/991453338.db2.gz PFTIIPXKCLZNHM-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCN(C2CCC2)C1=O ZINC001392525022 992045965 /nfs/dbraw/zinc/04/59/65/992045965.db2.gz WFBBFWQBIBAZME-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCN(C2CCC2)C1=O ZINC001392525022 992045969 /nfs/dbraw/zinc/04/59/69/992045969.db2.gz WFBBFWQBIBAZME-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001392586427 992128103 /nfs/dbraw/zinc/12/81/03/992128103.db2.gz CJIMMQUAJQIBGT-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001392586427 992128108 /nfs/dbraw/zinc/12/81/08/992128108.db2.gz CJIMMQUAJQIBGT-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001392597827 992142198 /nfs/dbraw/zinc/14/21/98/992142198.db2.gz YHSPWLZRFTUADE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392726719 992323793 /nfs/dbraw/zinc/32/37/93/992323793.db2.gz SMAONCPEPRHQBG-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392726719 992323802 /nfs/dbraw/zinc/32/38/02/992323802.db2.gz SMAONCPEPRHQBG-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392731021 992333918 /nfs/dbraw/zinc/33/39/18/992333918.db2.gz VRICNJWRWSPJKP-KBPBESRZSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392731021 992333925 /nfs/dbraw/zinc/33/39/25/992333925.db2.gz VRICNJWRWSPJKP-KBPBESRZSA-N 1 3 307.442 0.351 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001392803918 992411220 /nfs/dbraw/zinc/41/12/20/992411220.db2.gz CZNQUJZKWUZDSB-LSDHHAIUSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001392803918 992411223 /nfs/dbraw/zinc/41/12/23/992411223.db2.gz CZNQUJZKWUZDSB-LSDHHAIUSA-N 1 3 305.426 0.356 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001392905230 992526062 /nfs/dbraw/zinc/52/60/62/992526062.db2.gz GBNNEXYYKMCDCR-AWEZNQCLSA-N 1 3 320.441 0.391 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001393053010 992653166 /nfs/dbraw/zinc/65/31/66/992653166.db2.gz XHMRGLHWZHEBJA-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001393158866 992721908 /nfs/dbraw/zinc/72/19/08/992721908.db2.gz HYRMGXRQNXUNHS-CZUORRHYSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001393330677 992886769 /nfs/dbraw/zinc/88/67/69/992886769.db2.gz SGTZEGDZACUZKX-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393330677 992886777 /nfs/dbraw/zinc/88/67/77/992886777.db2.gz SGTZEGDZACUZKX-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393389412 992937259 /nfs/dbraw/zinc/93/72/59/992937259.db2.gz KGZSQASTFMWVIU-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]2CNC(=O)CC[NH+](C)C)CC1 ZINC001393450803 993001212 /nfs/dbraw/zinc/00/12/12/993001212.db2.gz FOCARAZNDWHLBZ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001393592675 993111824 /nfs/dbraw/zinc/11/18/24/993111824.db2.gz GWWLSQZPMWCADP-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCC(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC001393769727 993239735 /nfs/dbraw/zinc/23/97/35/993239735.db2.gz SEDDUFOVEQUDTA-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001393828269 993284103 /nfs/dbraw/zinc/28/41/03/993284103.db2.gz JCOICIYGOXDVQV-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001393828269 993284111 /nfs/dbraw/zinc/28/41/11/993284111.db2.gz JCOICIYGOXDVQV-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H](C)C(=O)NC ZINC001393861236 993302118 /nfs/dbraw/zinc/30/21/18/993302118.db2.gz PADZGONXYLOFQZ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H](C)C(=O)NC ZINC001393861236 993302123 /nfs/dbraw/zinc/30/21/23/993302123.db2.gz PADZGONXYLOFQZ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001393908193 993336125 /nfs/dbraw/zinc/33/61/25/993336125.db2.gz OOSIYBLVDNZDGV-PIMMBPRGSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001394010739 993409496 /nfs/dbraw/zinc/40/94/96/993409496.db2.gz ZMPMAOCFLPLMHL-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001394391986 993675046 /nfs/dbraw/zinc/67/50/46/993675046.db2.gz NALZZOHDVHGTSS-CTYIDZIISA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001394494382 993765773 /nfs/dbraw/zinc/76/57/73/993765773.db2.gz FFSZCQWWAJHFFG-OLZOCXBDSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001394527645 993799279 /nfs/dbraw/zinc/79/92/79/993799279.db2.gz RDCHIONCKSSJAV-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)CC)N(C)C ZINC001394538615 993810439 /nfs/dbraw/zinc/81/04/39/993810439.db2.gz MYPKWSWYGKQYGW-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001394565456 993837289 /nfs/dbraw/zinc/83/72/89/993837289.db2.gz FTZDCYOCTLYYCQ-ZDUSSCGKSA-N 1 3 322.457 0.926 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)CC[NH+](C)C)c(C)c1 ZINC001394623630 993927966 /nfs/dbraw/zinc/92/79/66/993927966.db2.gz UZKQKARACFTEBA-MRXNPFEDSA-N 1 3 307.438 0.822 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001394674072 994004373 /nfs/dbraw/zinc/00/43/73/994004373.db2.gz UJCWUKRFFLILCJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C[C@H]1C ZINC001394678672 994012295 /nfs/dbraw/zinc/01/22/95/994012295.db2.gz JLHWBDHDJLGNHP-KGLIPLIRSA-N 1 3 308.430 0.197 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)[C@H]1C ZINC001394680609 994012856 /nfs/dbraw/zinc/01/28/56/994012856.db2.gz UFXFGZWBZZUPQQ-GDBMZVCRSA-N 1 3 321.469 0.882 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001400086100 994143076 /nfs/dbraw/zinc/14/30/76/994143076.db2.gz MLMPMIKRUSUPTK-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001400086100 994143081 /nfs/dbraw/zinc/14/30/81/994143081.db2.gz MLMPMIKRUSUPTK-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CN(CCN1CC[NH+](CC2CCC2)CC1)C(=O)[C@H]1CCCN1C ZINC001400193966 994262937 /nfs/dbraw/zinc/26/29/37/994262937.db2.gz HBTNPVWKQWRNFV-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001400254927 994346724 /nfs/dbraw/zinc/34/67/24/994346724.db2.gz NDGFYNWWTSWAHY-KKUMJFAQSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001400254927 994346733 /nfs/dbraw/zinc/34/67/33/994346733.db2.gz NDGFYNWWTSWAHY-KKUMJFAQSA-N 1 3 315.458 0.114 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001395159347 994478640 /nfs/dbraw/zinc/47/86/40/994478640.db2.gz ZYGPGUONSSUDNN-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001400487208 994575770 /nfs/dbraw/zinc/57/57/70/994575770.db2.gz TXWFQZGRJRIAOO-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCNC(=O)CC1 ZINC001400598661 994691840 /nfs/dbraw/zinc/69/18/40/994691840.db2.gz RVMCXACBJUHBER-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cncn1C ZINC001400860608 995015954 /nfs/dbraw/zinc/01/59/54/995015954.db2.gz IFROEHUAXDOLHH-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO Cn1nncc1CNC[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401016634 995118298 /nfs/dbraw/zinc/11/82/98/995118298.db2.gz BVXLQGLIOQQBMA-BLLLJJGKSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401016634 995118305 /nfs/dbraw/zinc/11/83/05/995118305.db2.gz BVXLQGLIOQQBMA-BLLLJJGKSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001401087287 995163799 /nfs/dbraw/zinc/16/37/99/995163799.db2.gz VQWMQWHALSOOEE-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001396477303 995421142 /nfs/dbraw/zinc/42/11/42/995421142.db2.gz IBRYAZGKPCHBPB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396477303 995421144 /nfs/dbraw/zinc/42/11/44/995421144.db2.gz IBRYAZGKPCHBPB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)ncn1 ZINC001397071764 995782784 /nfs/dbraw/zinc/78/27/84/995782784.db2.gz BILKTUMFJBEIRX-OKILXGFUSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001397682704 996129500 /nfs/dbraw/zinc/12/95/00/996129500.db2.gz QKEFQUGMHXBVAQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@H]1CCCNC1=O ZINC001507129901 1016013035 /nfs/dbraw/zinc/01/30/35/1016013035.db2.gz LGNCEEXVLUSNGZ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001507150562 1016036265 /nfs/dbraw/zinc/03/62/65/1016036265.db2.gz ADYHLWSWEGAAGK-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+]([C@@H](CC)C(N)=O)CC2 ZINC001398368259 996489468 /nfs/dbraw/zinc/48/94/68/996489468.db2.gz WHXWZHUGNVOSBV-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001507161757 1016043908 /nfs/dbraw/zinc/04/39/08/1016043908.db2.gz MLIMWCIFRFUVKB-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001398613691 996604334 /nfs/dbraw/zinc/60/43/34/996604334.db2.gz GGZGCENGKWSQIO-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001398613691 996604336 /nfs/dbraw/zinc/60/43/36/996604336.db2.gz GGZGCENGKWSQIO-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)CCC1 ZINC001398617963 996605862 /nfs/dbraw/zinc/60/58/62/996605862.db2.gz IOZPEWBVOBWMEN-BETUJISGSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1)[NH+](C)C ZINC001398621807 996609623 /nfs/dbraw/zinc/60/96/23/996609623.db2.gz IHILIXVWQYEJJN-AWEZNQCLSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502737722 1016049229 /nfs/dbraw/zinc/04/92/29/1016049229.db2.gz BNFJXPYQXLUMGR-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001398793039 996690283 /nfs/dbraw/zinc/69/02/83/996690283.db2.gz BZFMEXUSWFWKKB-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001398793039 996690284 /nfs/dbraw/zinc/69/02/84/996690284.db2.gz BZFMEXUSWFWKKB-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001398836542 996709376 /nfs/dbraw/zinc/70/93/76/996709376.db2.gz BAFDUXGKAMBBAE-YMAMQOFZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC001398923829 996752962 /nfs/dbraw/zinc/75/29/62/996752962.db2.gz PUWBHAGGHIHBQR-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001398923829 996752960 /nfs/dbraw/zinc/75/29/60/996752960.db2.gz PUWBHAGGHIHBQR-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001398973174 996784136 /nfs/dbraw/zinc/78/41/36/996784136.db2.gz JSXOGUKSNHRXIT-WCQYABFASA-N 1 3 315.849 0.971 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001399018770 996844368 /nfs/dbraw/zinc/84/43/68/996844368.db2.gz DALGFDZBCBJGNP-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cncn1C ZINC001399023985 996849294 /nfs/dbraw/zinc/84/92/94/996849294.db2.gz HAJWRAWCKZPDRT-IHRRRGAJSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cncn1C ZINC001399023985 996849309 /nfs/dbraw/zinc/84/93/09/996849309.db2.gz HAJWRAWCKZPDRT-IHRRRGAJSA-N 1 3 307.442 0.745 20 0 DCADHO COc1coc(CN[C@H](C)CNC(=O)CC[NH+](C)C)cc1=O ZINC001399031532 996861062 /nfs/dbraw/zinc/86/10/62/996861062.db2.gz MSEUFCSRMSHMCE-LLVKDONJSA-N 1 3 311.382 0.194 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001399100710 996960801 /nfs/dbraw/zinc/96/08/01/996960801.db2.gz NYLBWFOPILEJOY-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001399100710 996960816 /nfs/dbraw/zinc/96/08/16/996960816.db2.gz NYLBWFOPILEJOY-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO Cn1nccc1CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001404315294 996961835 /nfs/dbraw/zinc/96/18/35/996961835.db2.gz PVTRFZHYXKYWOY-CQSZACIVSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001404315294 996961842 /nfs/dbraw/zinc/96/18/42/996961842.db2.gz PVTRFZHYXKYWOY-CQSZACIVSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001399128383 997010543 /nfs/dbraw/zinc/01/05/43/997010543.db2.gz XFCAQNCKXGLTTH-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001399128383 997010555 /nfs/dbraw/zinc/01/05/55/997010555.db2.gz XFCAQNCKXGLTTH-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001399219002 997089476 /nfs/dbraw/zinc/08/94/76/997089476.db2.gz HOAPGIYNROXGOZ-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)NC2CC2)C1 ZINC001404523352 997203071 /nfs/dbraw/zinc/20/30/71/997203071.db2.gz UHJIIHOVMACXSX-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001404689025 997381091 /nfs/dbraw/zinc/38/10/91/997381091.db2.gz YSXICHHHLPWBOG-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001405108169 997801631 /nfs/dbraw/zinc/80/16/31/997801631.db2.gz FTNZFDXOXQMCQK-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)NCC(=O)NC ZINC001405260726 998025298 /nfs/dbraw/zinc/02/52/98/998025298.db2.gz IYANEHQKNNNYSO-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)NCC(=O)NC ZINC001405260726 998025304 /nfs/dbraw/zinc/02/53/04/998025304.db2.gz IYANEHQKNNNYSO-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001405282446 998058297 /nfs/dbraw/zinc/05/82/97/998058297.db2.gz DBILLYFFGUPCMF-JSGCOSHPSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001511203756 1016213261 /nfs/dbraw/zinc/21/32/61/1016213261.db2.gz HTIFFEHCEMLESE-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)[C@H]1C ZINC001507294470 1016226838 /nfs/dbraw/zinc/22/68/38/1016226838.db2.gz ZGWPNYHHRVDLLB-HUUCEWRRSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)CCC[NH+](C)C ZINC001507319930 1016250645 /nfs/dbraw/zinc/25/06/45/1016250645.db2.gz LMNZXMLTBUYMAP-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001505531036 1016288146 /nfs/dbraw/zinc/28/81/46/1016288146.db2.gz NJGMTDXTYIBCTI-NRXISQOPSA-N 1 3 322.457 0.349 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001469771526 1016362753 /nfs/dbraw/zinc/36/27/53/1016362753.db2.gz IGTQQKLZADPXIQ-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001469771526 1016362764 /nfs/dbraw/zinc/36/27/64/1016362764.db2.gz IGTQQKLZADPXIQ-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401248968 1000308578 /nfs/dbraw/zinc/30/85/78/1000308578.db2.gz XSXITHMUSZKYLH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401248968 1000308582 /nfs/dbraw/zinc/30/85/82/1000308582.db2.gz XSXITHMUSZKYLH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2nncn2C)[C@@H](C)C1 ZINC001401300810 1000338557 /nfs/dbraw/zinc/33/85/57/1000338557.db2.gz SJSPGSGLGCKMND-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2nncn2C)[C@@H](C)C1 ZINC001401300810 1000338560 /nfs/dbraw/zinc/33/85/60/1000338560.db2.gz SJSPGSGLGCKMND-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)n[nH]1 ZINC001401329138 1000354790 /nfs/dbraw/zinc/35/47/90/1000354790.db2.gz CHJIJMRFSPZMRQ-CYBMUJFWSA-N 1 3 322.457 0.685 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2ccccn2)CC[N@@H+]1C ZINC001401514252 1000465752 /nfs/dbraw/zinc/46/57/52/1000465752.db2.gz USRCVVUWYPHGAX-HRCADAONSA-N 1 3 320.437 0.379 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2ccccn2)CC[N@H+]1C ZINC001401514252 1000465755 /nfs/dbraw/zinc/46/57/55/1000465755.db2.gz USRCVVUWYPHGAX-HRCADAONSA-N 1 3 320.437 0.379 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)CC(C)(C)C ZINC001401547684 1000483550 /nfs/dbraw/zinc/48/35/50/1000483550.db2.gz BQJDSMPKHZEVQL-HNNXBMFYSA-N 1 3 322.453 0.626 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001418737570 1000484334 /nfs/dbraw/zinc/48/43/34/1000484334.db2.gz FQLAJEVTAXOQHL-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401605697 1000541896 /nfs/dbraw/zinc/54/18/96/1000541896.db2.gz TWBGIEHOMGVDTG-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401605697 1000541901 /nfs/dbraw/zinc/54/19/01/1000541901.db2.gz TWBGIEHOMGVDTG-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401605679 1000542294 /nfs/dbraw/zinc/54/22/94/1000542294.db2.gz TWBGIEHOMGVDTG-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401605679 1000542300 /nfs/dbraw/zinc/54/23/00/1000542300.db2.gz TWBGIEHOMGVDTG-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCN(C)C(=O)CC[NH+](C)C ZINC001418825638 1000553605 /nfs/dbraw/zinc/55/36/05/1000553605.db2.gz IYTGYLBMTQJSCV-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001418847516 1000568869 /nfs/dbraw/zinc/56/88/69/1000568869.db2.gz QRRQPOQNMAIPKG-RYUDHWBXSA-N 1 3 321.425 0.303 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCN2CC[NH+](CC3CC3)CC2)C1 ZINC001418916790 1000613019 /nfs/dbraw/zinc/61/30/19/1000613019.db2.gz ODEBEPYAXSUZAC-MRXNPFEDSA-N 1 3 322.497 0.814 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001418916484 1000613278 /nfs/dbraw/zinc/61/32/78/1000613278.db2.gz VVRIXNHHTRUIBS-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001418916484 1000613281 /nfs/dbraw/zinc/61/32/81/1000613281.db2.gz VVRIXNHHTRUIBS-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCN(C(C)C)C1=O ZINC001401709255 1000646633 /nfs/dbraw/zinc/64/66/33/1000646633.db2.gz BWYDJBZLWQICNS-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCN(C(C)C)C1=O ZINC001401709255 1000646638 /nfs/dbraw/zinc/64/66/38/1000646638.db2.gz BWYDJBZLWQICNS-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001401710173 1000648970 /nfs/dbraw/zinc/64/89/70/1000648970.db2.gz MAFQKZXSOUACNY-ZDUSSCGKSA-N 1 3 323.441 0.125 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001401712977 1000649752 /nfs/dbraw/zinc/64/97/52/1000649752.db2.gz KTULLKAUUQOPMV-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1ncnn1C ZINC001401863419 1000797856 /nfs/dbraw/zinc/79/78/56/1000797856.db2.gz GKOJNMJVZUEQKM-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001419194643 1000870235 /nfs/dbraw/zinc/87/02/35/1000870235.db2.gz ODOBUWBXYXLSDA-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001419196834 1000871669 /nfs/dbraw/zinc/87/16/69/1000871669.db2.gz SLCAPGMXQXNYNN-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(N[C@H]2CCCN(C)C2=O)CC1 ZINC001401975805 1000919137 /nfs/dbraw/zinc/91/91/37/1000919137.db2.gz JCUIVGOYUXDTKE-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@H]2CCCN(C)C2=O)CC1 ZINC001401975805 1000919140 /nfs/dbraw/zinc/91/91/40/1000919140.db2.gz JCUIVGOYUXDTKE-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001402082432 1001002090 /nfs/dbraw/zinc/00/20/90/1001002090.db2.gz UFEAQTDLSZRXNF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001419379193 1001009760 /nfs/dbraw/zinc/00/97/60/1001009760.db2.gz WDIAKMOVENNGLY-XDQVBPFNSA-N 1 3 312.458 0.463 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001419414303 1001032351 /nfs/dbraw/zinc/03/23/51/1001032351.db2.gz IRQZPDWDCXRIJE-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001419508308 1001104630 /nfs/dbraw/zinc/10/46/30/1001104630.db2.gz JPFUMGRKJSLFQB-ZIAGYGMSSA-N 1 3 321.469 0.912 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccnn1C)N(C)C ZINC001419534137 1001120864 /nfs/dbraw/zinc/12/08/64/1001120864.db2.gz XIUQQMKYQWVXBG-DZGCQCFKSA-N 1 3 309.458 0.848 20 0 DCADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001419598565 1001166144 /nfs/dbraw/zinc/16/61/44/1001166144.db2.gz USGPLVQBJFNOES-LSDHHAIUSA-N 1 3 305.426 0.753 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001419665773 1001208180 /nfs/dbraw/zinc/20/81/80/1001208180.db2.gz JPUUSBXJQKYWGI-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC[C@@H](C)F)C1 ZINC001402323275 1001217001 /nfs/dbraw/zinc/21/70/01/1001217001.db2.gz VAVGNXBKOPXADP-UKRRQHHQSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CC[C@@H](C)F)C1 ZINC001402323275 1001217005 /nfs/dbraw/zinc/21/70/05/1001217005.db2.gz VAVGNXBKOPXADP-UKRRQHHQSA-N 1 3 303.422 0.628 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001402326242 1001217643 /nfs/dbraw/zinc/21/76/43/1001217643.db2.gz NLWJZWCOOFUTIC-CABCVRRESA-N 1 3 307.442 0.745 20 0 DCADHO Cc1ncc(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001419744215 1001273109 /nfs/dbraw/zinc/27/31/09/1001273109.db2.gz KKHLVOFGECRIRG-WFASDCNBSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001419744215 1001273112 /nfs/dbraw/zinc/27/31/12/1001273112.db2.gz KKHLVOFGECRIRG-WFASDCNBSA-N 1 3 305.426 0.673 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)CN[C@H]2CCNC2=O)CC1 ZINC001419747876 1001275852 /nfs/dbraw/zinc/27/58/52/1001275852.db2.gz UEERAGAYGDVVDG-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cncn1C ZINC001419757231 1001282904 /nfs/dbraw/zinc/28/29/04/1001282904.db2.gz OOPFQDILRLOQEK-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cncn1C ZINC001419757231 1001282910 /nfs/dbraw/zinc/28/29/10/1001282910.db2.gz OOPFQDILRLOQEK-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402407007 1001284016 /nfs/dbraw/zinc/28/40/16/1001284016.db2.gz ZPFFTSQIAHIGEH-CHWSQXEVSA-N 1 3 319.409 0.011 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001419759994 1001284276 /nfs/dbraw/zinc/28/42/76/1001284276.db2.gz HJQKLYBIIXRAKK-CHWSQXEVSA-N 1 3 300.447 0.240 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001419810890 1001327638 /nfs/dbraw/zinc/32/76/38/1001327638.db2.gz BZAYHIFBBQOGLY-ZFWWWQNUSA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001419812635 1001328185 /nfs/dbraw/zinc/32/81/85/1001328185.db2.gz CACYBODJYDMHQZ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001402536681 1001391938 /nfs/dbraw/zinc/39/19/38/1001391938.db2.gz NXVINSBIHCUKGN-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001402649140 1001458378 /nfs/dbraw/zinc/45/83/78/1001458378.db2.gz OTBVWMNQNASVTB-AWEZNQCLSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001402759581 1001492216 /nfs/dbraw/zinc/49/22/16/1001492216.db2.gz XAFPCWPSVDICMW-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C)CN1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402787530 1001502143 /nfs/dbraw/zinc/50/21/43/1001502143.db2.gz ZATJQOAMBVAYNL-HNNXBMFYSA-N 1 3 310.486 0.813 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)CC)CC[N@@H+]1C ZINC001402890985 1001559024 /nfs/dbraw/zinc/55/90/24/1001559024.db2.gz NDHJKENXRPYKMX-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)CC)CC[N@H+]1C ZINC001402890985 1001559030 /nfs/dbraw/zinc/55/90/30/1001559030.db2.gz NDHJKENXRPYKMX-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001402897422 1001563914 /nfs/dbraw/zinc/56/39/14/1001563914.db2.gz YSCNEZOYAGKKAH-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001402897422 1001563916 /nfs/dbraw/zinc/56/39/16/1001563916.db2.gz YSCNEZOYAGKKAH-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)NC1CC1 ZINC001402973158 1001611586 /nfs/dbraw/zinc/61/15/86/1001611586.db2.gz CIKIKVLRUIQTOW-VXGBXAGGSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N1CCCC1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001403009473 1001630027 /nfs/dbraw/zinc/63/00/27/1001630027.db2.gz LZJAYQNNIGGOSC-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC(=O)NC1CC1 ZINC001403061040 1001654517 /nfs/dbraw/zinc/65/45/17/1001654517.db2.gz RTUDEFPGXVLVQW-NWDGAFQWSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCn1cncn1 ZINC001403173714 1001706567 /nfs/dbraw/zinc/70/65/67/1001706567.db2.gz VZLMKBJCTDFLPE-CYBMUJFWSA-N 1 3 308.430 0.056 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001403191617 1001716889 /nfs/dbraw/zinc/71/68/89/1001716889.db2.gz CNKIFMKSKNTZJC-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001403191617 1001716894 /nfs/dbraw/zinc/71/68/94/1001716894.db2.gz CNKIFMKSKNTZJC-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(C)C)C1 ZINC001420012034 1001762906 /nfs/dbraw/zinc/76/29/06/1001762906.db2.gz VCZJRVQNVZUKPQ-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001505760420 1016531282 /nfs/dbraw/zinc/53/12/82/1016531282.db2.gz KKDOOTVBPZLDHF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001403458383 1001985576 /nfs/dbraw/zinc/98/55/76/1001985576.db2.gz HVAOEOUANHQARW-CABCVRRESA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001403458383 1001985586 /nfs/dbraw/zinc/98/55/86/1001985586.db2.gz HVAOEOUANHQARW-CABCVRRESA-N 1 3 313.442 0.011 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424817897 1002058323 /nfs/dbraw/zinc/05/83/23/1002058323.db2.gz HKUSDFCNEUVNFY-QWHCGFSZSA-N 1 3 312.458 0.336 20 0 DCADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001420239936 1002095583 /nfs/dbraw/zinc/09/55/83/1002095583.db2.gz GVGGHLBHCDDVJW-ZDUSSCGKSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001424867284 1002107160 /nfs/dbraw/zinc/10/71/60/1002107160.db2.gz LDOCAAXIOUHNQP-HSBZDZAISA-N 1 3 312.458 0.560 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001420256627 1002124845 /nfs/dbraw/zinc/12/48/45/1002124845.db2.gz WQAADQKZOMPCFW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)C1 ZINC001505804602 1016573567 /nfs/dbraw/zinc/57/35/67/1016573567.db2.gz MTWPMVMXHTZSMC-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)C1 ZINC001505804602 1016573580 /nfs/dbraw/zinc/57/35/80/1016573580.db2.gz MTWPMVMXHTZSMC-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001420297602 1002182848 /nfs/dbraw/zinc/18/28/48/1002182848.db2.gz CEPBBJNEZBBJGW-VXGBXAGGSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@H](CNCC(=O)N[C@@H](C)C1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001420338526 1002244802 /nfs/dbraw/zinc/24/48/02/1002244802.db2.gz JXCGBRDJCMNLEI-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420340308 1002247450 /nfs/dbraw/zinc/24/74/50/1002247450.db2.gz PNQUWLPHMDNAIC-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508015568 1016610249 /nfs/dbraw/zinc/61/02/49/1016610249.db2.gz AVYFEABHGCKVKT-RYUDHWBXSA-N 1 3 300.447 0.193 20 0 DCADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)O)C[C@]2(C)C1 ZINC001425373768 1002618453 /nfs/dbraw/zinc/61/84/53/1002618453.db2.gz CODXMIOUOQZRGT-BHYGNILZSA-N 1 3 311.470 0.879 20 0 DCADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)O)C[C@]2(C)C1 ZINC001425373768 1002618455 /nfs/dbraw/zinc/61/84/55/1002618455.db2.gz CODXMIOUOQZRGT-BHYGNILZSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)NC(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001425433732 1002671833 /nfs/dbraw/zinc/67/18/33/1002671833.db2.gz SBFNLRMPTFAOCX-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001425433732 1002671838 /nfs/dbraw/zinc/67/18/38/1002671838.db2.gz SBFNLRMPTFAOCX-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC001508145470 1016670963 /nfs/dbraw/zinc/67/09/63/1016670963.db2.gz MSZUJGKDSHOBQQ-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C(C)(C)C ZINC001403960257 1002803155 /nfs/dbraw/zinc/80/31/55/1002803155.db2.gz NLQLCQZXIJDDKP-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C(C)(C)C ZINC001403960257 1002803174 /nfs/dbraw/zinc/80/31/74/1002803174.db2.gz NLQLCQZXIJDDKP-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C)C(N)=O ZINC001403968599 1002816362 /nfs/dbraw/zinc/81/63/62/1002816362.db2.gz GDVVCAHWCKREJS-OLZOCXBDSA-N 1 3 314.474 0.711 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001425621861 1002902642 /nfs/dbraw/zinc/90/26/42/1002902642.db2.gz CGGJKNPPLLUXFX-OLZOCXBDSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](CN[C@H](C)C(N)=O)C2CC2)CC1 ZINC001420785286 1002943998 /nfs/dbraw/zinc/94/39/98/1002943998.db2.gz SQAKQODJNHEFTB-DOMZBBRYSA-N 1 3 324.469 0.465 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001420862124 1003049530 /nfs/dbraw/zinc/04/95/30/1003049530.db2.gz QKFIDZUQHIGKJZ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001420862124 1003049521 /nfs/dbraw/zinc/04/95/21/1003049521.db2.gz QKFIDZUQHIGKJZ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCc1cccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001425839769 1003170534 /nfs/dbraw/zinc/17/05/34/1003170534.db2.gz NINWZURYIAZPKW-IRXDYDNUSA-N 1 3 319.449 0.767 20 0 DCADHO CCc1cccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001425839769 1003170542 /nfs/dbraw/zinc/17/05/42/1003170542.db2.gz NINWZURYIAZPKW-IRXDYDNUSA-N 1 3 319.449 0.767 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001425872393 1003203282 /nfs/dbraw/zinc/20/32/82/1003203282.db2.gz DZXALSZUPVBUPX-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCn2cncn2)C[C@H]1C ZINC001425914334 1003250197 /nfs/dbraw/zinc/25/01/97/1003250197.db2.gz MCWVUOWEUKAENC-ZIAGYGMSSA-N 1 3 308.430 0.199 20 0 DCADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001421242105 1003477272 /nfs/dbraw/zinc/47/72/72/1003477272.db2.gz WDQXFHWVASLVBD-WFASDCNBSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001406248614 1003524451 /nfs/dbraw/zinc/52/44/51/1003524451.db2.gz PGDBJMRPDOHPCL-OLZOCXBDSA-N 1 3 321.412 0.685 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](C)O)CCC1(F)F ZINC001421323238 1003541605 /nfs/dbraw/zinc/54/16/05/1003541605.db2.gz ZLFGFSOGBDEWIV-STQMWFEESA-N 1 3 321.412 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](C)O)CCC1(F)F ZINC001421323238 1003541616 /nfs/dbraw/zinc/54/16/16/1003541616.db2.gz ZLFGFSOGBDEWIV-STQMWFEESA-N 1 3 321.412 0.782 20 0 DCADHO Cc1oncc1CN1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421386170 1003611908 /nfs/dbraw/zinc/61/19/08/1003611908.db2.gz INFYSHCAOQFMMA-INIZCTEOSA-N 1 3 322.409 0.132 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001428884007 1004239889 /nfs/dbraw/zinc/23/98/89/1004239889.db2.gz TZSRQTOYHMCTDH-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001428884007 1004239898 /nfs/dbraw/zinc/23/98/98/1004239898.db2.gz TZSRQTOYHMCTDH-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001428914663 1004263026 /nfs/dbraw/zinc/26/30/26/1004263026.db2.gz OHOBSPSKSXOANF-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001428921864 1004268160 /nfs/dbraw/zinc/26/81/60/1004268160.db2.gz FDVNWZHSMQLBGO-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001428921864 1004268166 /nfs/dbraw/zinc/26/81/66/1004268166.db2.gz FDVNWZHSMQLBGO-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001407088760 1004367994 /nfs/dbraw/zinc/36/79/94/1004367994.db2.gz MKUHJMOJBYPAOV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001407088760 1004368001 /nfs/dbraw/zinc/36/80/01/1004368001.db2.gz MKUHJMOJBYPAOV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001407100164 1004381718 /nfs/dbraw/zinc/38/17/18/1004381718.db2.gz KLCXACAAYMDPLZ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001407149756 1004422921 /nfs/dbraw/zinc/42/29/21/1004422921.db2.gz RHAQCRIHUJMTBK-HUUCEWRRSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C)C1(C(=O)NCCN(C)C(=O)CCC[NH+](C)C)CCC1 ZINC001429306125 1004520875 /nfs/dbraw/zinc/52/08/75/1004520875.db2.gz BDNQQRGLUVYKOH-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001407500442 1004692907 /nfs/dbraw/zinc/69/29/07/1004692907.db2.gz OJTGIETXQBEPNO-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001407500442 1004692911 /nfs/dbraw/zinc/69/29/11/1004692911.db2.gz OJTGIETXQBEPNO-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001407514680 1004702936 /nfs/dbraw/zinc/70/29/36/1004702936.db2.gz BRRCAOMTRJPDEB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001407514680 1004702944 /nfs/dbraw/zinc/70/29/44/1004702944.db2.gz BRRCAOMTRJPDEB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001407516756 1004705207 /nfs/dbraw/zinc/70/52/07/1004705207.db2.gz GNZMEIIARVFIOU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001407567667 1004734264 /nfs/dbraw/zinc/73/42/64/1004734264.db2.gz YBRGKCGVTQQBNE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@H](CC)C(N)=O)C[C@H]2C1 ZINC001407599618 1004751784 /nfs/dbraw/zinc/75/17/84/1004751784.db2.gz WMCITSQAOGLLGX-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@H](CC)C(N)=O)C[C@H]2C1 ZINC001407599618 1004751790 /nfs/dbraw/zinc/75/17/90/1004751790.db2.gz WMCITSQAOGLLGX-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001407818783 1004880824 /nfs/dbraw/zinc/88/08/24/1004880824.db2.gz GUKIIIROUGMUOV-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001407818783 1004880829 /nfs/dbraw/zinc/88/08/29/1004880829.db2.gz GUKIIIROUGMUOV-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCO)C2)C1 ZINC001408358155 1005175717 /nfs/dbraw/zinc/17/57/17/1005175717.db2.gz OGBFHKNAAFDDOD-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CCO)C2)C1 ZINC001408358155 1005175720 /nfs/dbraw/zinc/17/57/20/1005175720.db2.gz OGBFHKNAAFDDOD-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)CC[NH+](C)C ZINC001414153820 1005242945 /nfs/dbraw/zinc/24/29/45/1005242945.db2.gz FXVDYYWWHGPJKM-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO COC(=O)[C@@H]1[C@H](CN(C)CCC[N@H+](C)CCN(C)C)C1(F)F ZINC001414157126 1005243396 /nfs/dbraw/zinc/24/33/96/1005243396.db2.gz VTIIHIFJFRWLOI-STQMWFEESA-N 1 3 321.412 0.856 20 0 DCADHO COC(=O)[C@@H]1[C@H](CN(C)CCC[N@@H+](C)CCN(C)C)C1(F)F ZINC001414157126 1005243397 /nfs/dbraw/zinc/24/33/97/1005243397.db2.gz VTIIHIFJFRWLOI-STQMWFEESA-N 1 3 321.412 0.856 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001414558264 1005359787 /nfs/dbraw/zinc/35/97/87/1005359787.db2.gz FDFPIXFZFARUCC-ILXRZTDVSA-N 1 3 310.442 0.585 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001414558264 1005359788 /nfs/dbraw/zinc/35/97/88/1005359788.db2.gz FDFPIXFZFARUCC-ILXRZTDVSA-N 1 3 310.442 0.585 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001414734859 1005392809 /nfs/dbraw/zinc/39/28/09/1005392809.db2.gz HVLOTBRCFCUREJ-ZDUSSCGKSA-N 1 3 321.425 0.320 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CCC1 ZINC001414782305 1005401369 /nfs/dbraw/zinc/40/13/69/1005401369.db2.gz NHZPFXDVUSRSRY-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001415263515 1005492325 /nfs/dbraw/zinc/49/23/25/1005492325.db2.gz UFBLUTUCRCTRKR-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001417149900 1005793637 /nfs/dbraw/zinc/79/36/37/1005793637.db2.gz ZAYAKPBDIXIODM-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001417149900 1005793638 /nfs/dbraw/zinc/79/36/38/1005793638.db2.gz ZAYAKPBDIXIODM-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001417787304 1005891123 /nfs/dbraw/zinc/89/11/23/1005891123.db2.gz TVTNAOFHSNAFKJ-OBJOEFQTSA-N 1 3 310.442 0.219 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)N2CCCC2)C2CC2)C1 ZINC001418013686 1005955495 /nfs/dbraw/zinc/95/54/95/1005955495.db2.gz IGUWSAQIABTOOF-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)N2CCCC2)C2CC2)C1 ZINC001418013686 1005955497 /nfs/dbraw/zinc/95/54/97/1005955497.db2.gz IGUWSAQIABTOOF-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)CC[N@@H+]1C ZINC001434780915 1005971375 /nfs/dbraw/zinc/97/13/75/1005971375.db2.gz FNYUERZOOJICEW-KFWWJZLASA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)CC[N@H+]1C ZINC001434780915 1005971382 /nfs/dbraw/zinc/97/13/82/1005971382.db2.gz FNYUERZOOJICEW-KFWWJZLASA-N 1 3 312.458 0.615 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001438708097 1006056443 /nfs/dbraw/zinc/05/64/43/1006056443.db2.gz YKLSNZYRVCWJCP-AWEZNQCLSA-N 1 3 322.453 0.664 20 0 DCADHO CC(C)C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001438745561 1006091243 /nfs/dbraw/zinc/09/12/43/1006091243.db2.gz YBRTVVUGNNQHJD-QWHCGFSZSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCCC2)C1 ZINC001438748573 1006093287 /nfs/dbraw/zinc/09/32/87/1006093287.db2.gz QCRQQQHUMGZOPD-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001436397674 1006164392 /nfs/dbraw/zinc/16/43/92/1006164392.db2.gz IBZSLRPVNIPJBR-BZUAXINKSA-N 1 3 321.469 0.954 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001418236597 1006221850 /nfs/dbraw/zinc/22/18/50/1006221850.db2.gz QMVKSOQXVNLETE-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001418237609 1006223881 /nfs/dbraw/zinc/22/38/81/1006223881.db2.gz SYEFIFWDZGPPLD-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001418237609 1006223889 /nfs/dbraw/zinc/22/38/89/1006223889.db2.gz SYEFIFWDZGPPLD-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001438922416 1006232295 /nfs/dbraw/zinc/23/22/95/1006232295.db2.gz VXNNPOLXVBJWBU-XJKSGUPXSA-N 1 3 306.410 0.769 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001438922416 1006232308 /nfs/dbraw/zinc/23/23/08/1006232308.db2.gz VXNNPOLXVBJWBU-XJKSGUPXSA-N 1 3 306.410 0.769 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001418268851 1006276858 /nfs/dbraw/zinc/27/68/58/1006276858.db2.gz OWMRBJOZVKBGQA-RYUDHWBXSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001418299966 1006329949 /nfs/dbraw/zinc/32/99/49/1006329949.db2.gz PXKIAWHVIYONTE-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCc1ccnn1C ZINC001418302097 1006334493 /nfs/dbraw/zinc/33/44/93/1006334493.db2.gz JNFVQHUOKWGVND-NSHDSACASA-N 1 3 304.398 0.331 20 0 DCADHO CN1CC[C@@H](N[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)C1=O ZINC001436818338 1006391550 /nfs/dbraw/zinc/39/15/50/1006391550.db2.gz WXQOQOYEYOWUSR-ZIAGYGMSSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CCC1 ZINC001436894464 1006439530 /nfs/dbraw/zinc/43/95/30/1006439530.db2.gz HZCRBOYUGKGAOE-IHRRRGAJSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001437096289 1006581258 /nfs/dbraw/zinc/58/12/58/1006581258.db2.gz XXJSRRCQGSTLEE-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)N[C@@H](C)C(N)=O ZINC001437186787 1006681217 /nfs/dbraw/zinc/68/12/17/1006681217.db2.gz ZVRCTDJZFVEBJR-STQMWFEESA-N 1 3 320.437 0.372 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCn2cncn2)CC[N@@H+]1C ZINC001439323928 1006701286 /nfs/dbraw/zinc/70/12/86/1006701286.db2.gz HHAITEBYZXVVBO-QLFBSQMISA-N 1 3 322.457 0.445 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)CCn2cncn2)CC[N@H+]1C ZINC001439323928 1006701298 /nfs/dbraw/zinc/70/12/98/1006701298.db2.gz HHAITEBYZXVVBO-QLFBSQMISA-N 1 3 322.457 0.445 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N[C@@H](C)C1CC1 ZINC001437202351 1006701474 /nfs/dbraw/zinc/70/14/74/1006701474.db2.gz PMJXIPODZNGJTK-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001437305405 1006823125 /nfs/dbraw/zinc/82/31/25/1006823125.db2.gz AWWURTUUOIMOBO-GFCCVEGCSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccn(C)n1 ZINC001437375137 1006902850 /nfs/dbraw/zinc/90/28/50/1006902850.db2.gz WACQQIKLGFYLJV-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccn(C)n1 ZINC001437375137 1006902866 /nfs/dbraw/zinc/90/28/66/1006902866.db2.gz WACQQIKLGFYLJV-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001439769949 1007186854 /nfs/dbraw/zinc/18/68/54/1007186854.db2.gz KSCYOOBDMYDQAN-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1cncc1C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001439884369 1007286228 /nfs/dbraw/zinc/28/62/28/1007286228.db2.gz KAQHVDNYHYZURS-INIZCTEOSA-N 1 3 316.409 0.714 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC001437727836 1007322733 /nfs/dbraw/zinc/32/27/33/1007322733.db2.gz VJMYZMULNKTTKE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC001437727836 1007322746 /nfs/dbraw/zinc/32/27/46/1007322746.db2.gz VJMYZMULNKTTKE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001437841387 1007456540 /nfs/dbraw/zinc/45/65/40/1007456540.db2.gz JRCFAAVJISJZCR-LBPRGKRZSA-N 1 3 306.410 0.284 20 0 DCADHO CCN1CCN(CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001437956979 1007535366 /nfs/dbraw/zinc/53/53/66/1007535366.db2.gz NZKBZXPRHKMAMJ-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCN1CCN(CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001437956979 1007535370 /nfs/dbraw/zinc/53/53/70/1007535370.db2.gz NZKBZXPRHKMAMJ-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001437983984 1007557606 /nfs/dbraw/zinc/55/76/06/1007557606.db2.gz AHAMOXPVGGJMGY-GXTWGEPZSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001437983984 1007557618 /nfs/dbraw/zinc/55/76/18/1007557618.db2.gz AHAMOXPVGGJMGY-GXTWGEPZSA-N 1 3 310.442 0.125 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001440194731 1007571662 /nfs/dbraw/zinc/57/16/62/1007571662.db2.gz JQSFRUUTMUAFHL-ZNMIVQPWSA-N 1 3 315.433 0.724 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001440194731 1007571667 /nfs/dbraw/zinc/57/16/67/1007571667.db2.gz JQSFRUUTMUAFHL-ZNMIVQPWSA-N 1 3 315.433 0.724 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001440207259 1007578975 /nfs/dbraw/zinc/57/89/75/1007578975.db2.gz KOZARNCNZDFUAQ-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001440312571 1007661982 /nfs/dbraw/zinc/66/19/82/1007661982.db2.gz KZPKPMWFNDWSHH-RJZRQDKASA-N 1 3 324.469 0.478 20 0 DCADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001440522903 1007861039 /nfs/dbraw/zinc/86/10/39/1007861039.db2.gz WXKYMMLWGFAJLV-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)[C@@H](C)C1 ZINC001440598149 1007911466 /nfs/dbraw/zinc/91/14/66/1007911466.db2.gz KRVCGRQGPOXETI-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)[C@@H](C)C1 ZINC001440598149 1007911473 /nfs/dbraw/zinc/91/14/73/1007911473.db2.gz KRVCGRQGPOXETI-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001440633584 1007932950 /nfs/dbraw/zinc/93/29/50/1007932950.db2.gz CAQPTRYASSMYFP-ZDUSSCGKSA-N 1 3 308.426 0.941 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCCN(C)C1=O ZINC001438498186 1007952902 /nfs/dbraw/zinc/95/29/02/1007952902.db2.gz MDAXIAGUUNDYQM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nnsc1CNC[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438538964 1007981567 /nfs/dbraw/zinc/98/15/67/1007981567.db2.gz AJRAPQJFKSLLLN-PWSUYJOCSA-N 1 3 311.455 0.640 20 0 DCADHO Cc1nnsc1CNC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438538964 1007981572 /nfs/dbraw/zinc/98/15/72/1007981572.db2.gz AJRAPQJFKSLLLN-PWSUYJOCSA-N 1 3 311.455 0.640 20 0 DCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(=O)N(C)C1CC1 ZINC001440848750 1008066404 /nfs/dbraw/zinc/06/64/04/1008066404.db2.gz WDBRRFDALXIFIX-QWHCGFSZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441001297 1008168486 /nfs/dbraw/zinc/16/84/86/1008168486.db2.gz MIYHFFRAZQOXOG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441001297 1008168491 /nfs/dbraw/zinc/16/84/91/1008168491.db2.gz MIYHFFRAZQOXOG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(N)=O ZINC001441092094 1008216532 /nfs/dbraw/zinc/21/65/32/1008216532.db2.gz LCEGCIXRMHMPPE-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCCN(C)C1=O ZINC001441596185 1008417730 /nfs/dbraw/zinc/41/77/30/1008417730.db2.gz NPQYKGXCPQNQRS-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441599072 1008420498 /nfs/dbraw/zinc/42/04/98/1008420498.db2.gz SIVNBSWSQWJSFE-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001441659653 1008444504 /nfs/dbraw/zinc/44/45/04/1008444504.db2.gz SCMIJOSWUPSSPN-AWEZNQCLSA-N 1 3 314.474 0.630 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N(C)C2CC2)CN1C(=O)CC[NH+](C)C ZINC001441827354 1008524908 /nfs/dbraw/zinc/52/49/08/1008524908.db2.gz AERMCTNWSRDVIN-QWHCGFSZSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)[C@H]1C ZINC001441826207 1008526214 /nfs/dbraw/zinc/52/62/14/1008526214.db2.gz PIAMDUJFZCENSM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)[C@H]1C ZINC001441826207 1008526220 /nfs/dbraw/zinc/52/62/20/1008526220.db2.gz PIAMDUJFZCENSM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)N[C@@H](C)C(N)=O ZINC001441880774 1008618324 /nfs/dbraw/zinc/61/83/24/1008618324.db2.gz SNNQASPCFGKRQU-RYUDHWBXSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)N[C@@H](C)C(N)=O ZINC001441880774 1008618326 /nfs/dbraw/zinc/61/83/26/1008618326.db2.gz SNNQASPCFGKRQU-RYUDHWBXSA-N 1 3 312.458 0.608 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001441936709 1008676365 /nfs/dbraw/zinc/67/63/65/1008676365.db2.gz ZBENGPLSQGUAKK-JSGCOSHPSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001421570380 1008743111 /nfs/dbraw/zinc/74/31/11/1008743111.db2.gz IOHKLORUPSAGGY-LUKYLMHMSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001421570380 1008743118 /nfs/dbraw/zinc/74/31/18/1008743118.db2.gz IOHKLORUPSAGGY-LUKYLMHMSA-N 1 3 323.481 0.879 20 0 DCADHO CO[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442057027 1008896725 /nfs/dbraw/zinc/89/67/25/1008896725.db2.gz WHRITENMHXUUAL-ZIAGYGMSSA-N 1 3 315.458 0.257 20 0 DCADHO CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442057027 1008896747 /nfs/dbraw/zinc/89/67/47/1008896747.db2.gz WHRITENMHXUUAL-ZIAGYGMSSA-N 1 3 315.458 0.257 20 0 DCADHO CCn1nncc1C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001421722619 1008985982 /nfs/dbraw/zinc/98/59/82/1008985982.db2.gz FEPPVTXSNBEJDB-ZIAGYGMSSA-N 1 3 322.457 0.482 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)C1CC[NH+](C)CC1 ZINC001421740857 1009012615 /nfs/dbraw/zinc/01/26/15/1009012615.db2.gz JTNNZLPOWOZCIN-NSHDSACASA-N 1 3 311.455 0.722 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001454325977 1009074477 /nfs/dbraw/zinc/07/44/77/1009074477.db2.gz GKFWECLLZWIVJH-KBUPBQIOSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001454325967 1009075662 /nfs/dbraw/zinc/07/56/62/1009075662.db2.gz GKFWECLLZWIVJH-AJNGGQMLSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001442260124 1009142170 /nfs/dbraw/zinc/14/21/70/1009142170.db2.gz MDUFSHOYQMDFFC-NRXISQOPSA-N 1 3 307.442 0.839 20 0 DCADHO CNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001422068805 1009452816 /nfs/dbraw/zinc/45/28/16/1009452816.db2.gz VDEFKIKUYQCLEX-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001422158442 1009579162 /nfs/dbraw/zinc/57/91/62/1009579162.db2.gz SEXNGJBZAXUYOX-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](CC1CCN(C(=O)CN2CCCC2)CC1)[C@@H](C)C(N)=O ZINC001422210211 1009650281 /nfs/dbraw/zinc/65/02/81/1009650281.db2.gz OJRCXWYEQFJTBD-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+](CC1CCN(C(=O)CN2CCCC2)CC1)[C@@H](C)C(N)=O ZINC001422210211 1009650268 /nfs/dbraw/zinc/65/02/68/1009650268.db2.gz OJRCXWYEQFJTBD-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CCNC(=O)CC[NH+](C)C)C[C@@H]1CCc2ncnn21 ZINC001442733704 1009681578 /nfs/dbraw/zinc/68/15/78/1009681578.db2.gz WSZIZOJVQGZJOY-ZDUSSCGKSA-N 1 3 308.430 0.155 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)CCC[NH+](C)C ZINC001455395139 1009709185 /nfs/dbraw/zinc/70/91/85/1009709185.db2.gz KURBSOVHNQLJIE-UHFFFAOYSA-N 1 3 309.414 0.177 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCn3cccn3)C2)CCC1 ZINC001442865957 1009852656 /nfs/dbraw/zinc/85/26/56/1009852656.db2.gz OPZHQUJLVHTJSC-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)CCC1 ZINC001442865957 1009852674 /nfs/dbraw/zinc/85/26/74/1009852674.db2.gz OPZHQUJLVHTJSC-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1)N(C)C ZINC001422345086 1009922226 /nfs/dbraw/zinc/92/22/26/1009922226.db2.gz IWSUGRFFNQSJMY-HZPDHXFCSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001422432747 1010077326 /nfs/dbraw/zinc/07/73/26/1010077326.db2.gz XPDOGQGQVRQBEQ-UONOGXRCSA-N 1 3 315.458 0.208 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@H]1CCN(C)C1=O ZINC001422449134 1010099707 /nfs/dbraw/zinc/09/97/07/1010099707.db2.gz JHOOLJCQCHPRLR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@H]1CCN(C)C1=O ZINC001422449134 1010099721 /nfs/dbraw/zinc/09/97/21/1010099721.db2.gz JHOOLJCQCHPRLR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001456297238 1010176043 /nfs/dbraw/zinc/17/60/43/1010176043.db2.gz LHQMHQKRQBWMSY-ZIAGYGMSSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422509222 1010206708 /nfs/dbraw/zinc/20/67/08/1010206708.db2.gz YTWWLBGWEXZMGA-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001422601482 1010385233 /nfs/dbraw/zinc/38/52/33/1010385233.db2.gz KHAYQJLLQQRMEH-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001443614727 1010538249 /nfs/dbraw/zinc/53/82/49/1010538249.db2.gz NHGNBUNACBAYPI-CABCVRRESA-N 1 3 309.454 0.803 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001422737869 1010550670 /nfs/dbraw/zinc/55/06/70/1010550670.db2.gz WLTJZVPUAMTNEB-ZIAGYGMSSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001423102648 1010889227 /nfs/dbraw/zinc/88/92/27/1010889227.db2.gz IWUOJOGTFDHMHI-STQMWFEESA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H]1CCCN(C)C1=O ZINC001423110107 1010896394 /nfs/dbraw/zinc/89/63/94/1010896394.db2.gz QFPUHQFKZMVCPV-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(CC)C1=O ZINC001444254806 1010925921 /nfs/dbraw/zinc/92/59/21/1010925921.db2.gz IQIDBSBDDUSPSM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001423214989 1010985144 /nfs/dbraw/zinc/98/51/44/1010985144.db2.gz HAKLOSMQKVCKQP-UONOGXRCSA-N 1 3 315.458 0.353 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001444382992 1010990836 /nfs/dbraw/zinc/99/08/36/1010990836.db2.gz DNBCDEAZZWBHIV-UKRRQHHQSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001444382992 1010990840 /nfs/dbraw/zinc/99/08/40/1010990840.db2.gz DNBCDEAZZWBHIV-UKRRQHHQSA-N 1 3 319.453 0.969 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001423400139 1011123573 /nfs/dbraw/zinc/12/35/73/1011123573.db2.gz HEVUWKCFIIALLR-ZDUSSCGKSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001423418187 1011136492 /nfs/dbraw/zinc/13/64/92/1011136492.db2.gz LPQVORUUKDJTQA-KGLIPLIRSA-N 1 3 322.457 0.530 20 0 DCADHO CC[C@@H](C)NC(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001444720709 1011146275 /nfs/dbraw/zinc/14/62/75/1011146275.db2.gz YEDZFUFTOSSQMG-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)CC1 ZINC001423472716 1011172310 /nfs/dbraw/zinc/17/23/10/1011172310.db2.gz DENBHOFZJYSHBR-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)CC[NH+]1CCCCC1)C1CCCC1 ZINC001423536386 1011224961 /nfs/dbraw/zinc/22/49/61/1011224961.db2.gz PIFBDMDGDSNQGD-HNNXBMFYSA-N 1 3 324.469 0.612 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CCCC1 ZINC001423536417 1011226274 /nfs/dbraw/zinc/22/62/74/1011226274.db2.gz PIFBDMDGDSNQGD-OAHLLOKOSA-N 1 3 324.469 0.612 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001423535378 1011226730 /nfs/dbraw/zinc/22/67/30/1011226730.db2.gz XQLYPVZERPNNOP-OAHLLOKOSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001423631596 1011368229 /nfs/dbraw/zinc/36/82/29/1011368229.db2.gz BPOWUGUCALJCIK-NVXWUHKLSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(C)C(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001445109518 1011411007 /nfs/dbraw/zinc/41/10/07/1011411007.db2.gz CMDMLHGZRIQRSS-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001423689148 1011422398 /nfs/dbraw/zinc/42/23/98/1011422398.db2.gz TVWIJFVTKFTXQG-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001456758207 1011442196 /nfs/dbraw/zinc/44/21/96/1011442196.db2.gz KROCNGVRKWMJNB-AWEZNQCLSA-N 1 3 305.426 0.516 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCc2ccccc2F)CC1 ZINC001445227510 1011545010 /nfs/dbraw/zinc/54/50/10/1011545010.db2.gz UCVCWGBFSLIJST-OAHLLOKOSA-N 1 3 323.412 0.734 20 0 DCADHO CC[C@@H](F)CNC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001445239619 1011560997 /nfs/dbraw/zinc/56/09/97/1011560997.db2.gz OSANTDVVUVBMML-KGLIPLIRSA-N 1 3 303.422 0.533 20 0 DCADHO Cc1cc(CNC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)sn1 ZINC001445257196 1011583565 /nfs/dbraw/zinc/58/35/65/1011583565.db2.gz COONCCYXIRQXBB-LBPRGKRZSA-N 1 3 324.450 0.114 20 0 DCADHO Cc1ncsc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001445261478 1011590693 /nfs/dbraw/zinc/59/06/93/1011590693.db2.gz AGKWBJAPDSIMAW-GFCCVEGCSA-N 1 3 314.455 0.358 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445480141 1011811248 /nfs/dbraw/zinc/81/12/48/1011811248.db2.gz IGAHUDGYDGNZNH-GFCCVEGCSA-N 1 3 320.441 0.297 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)c2cnc([C@@H]3CCCN3)nc2)C1 ZINC001553343529 1011904586 /nfs/dbraw/zinc/90/45/86/1011904586.db2.gz LBOCTBYIFFPONX-JSGCOSHPSA-N 1 3 303.410 0.973 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445594735 1011975458 /nfs/dbraw/zinc/97/54/58/1011975458.db2.gz QWJQDGHNTZVZOD-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553498117 1012033011 /nfs/dbraw/zinc/03/30/11/1012033011.db2.gz NALMVBLXEVAUPR-BYNSBNAKSA-N 1 3 310.442 0.354 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[NH2+]1 ZINC001553509122 1012052073 /nfs/dbraw/zinc/05/20/73/1012052073.db2.gz WBSGQDOAKGJLED-KBXIAJHMSA-N 1 3 310.442 0.368 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[NH2+]1 ZINC001553509111 1012052296 /nfs/dbraw/zinc/05/22/96/1012052296.db2.gz WBSGQDOAKGJLED-APIJFGDWSA-N 1 3 310.442 0.368 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3CNCCO3)C[C@H]2C1 ZINC001553508681 1012053207 /nfs/dbraw/zinc/05/32/07/1012053207.db2.gz YTMVLRHCKJYFLY-KBUPBQIOSA-N 1 3 310.442 0.347 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001553549732 1012096120 /nfs/dbraw/zinc/09/61/20/1012096120.db2.gz KINAQZORQLNEKK-KBPBESRZSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001553549732 1012096138 /nfs/dbraw/zinc/09/61/38/1012096138.db2.gz KINAQZORQLNEKK-KBPBESRZSA-N 1 3 321.429 0.178 20 0 DCADHO [NH3+]C1CC(CCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553546414 1012096205 /nfs/dbraw/zinc/09/62/05/1012096205.db2.gz ATCPDCFUICRYCJ-PFSRBDOWSA-N 1 3 310.442 0.354 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553552754 1012100660 /nfs/dbraw/zinc/10/06/60/1012100660.db2.gz QHSIMOZGHOMZNE-KGLIPLIRSA-N 1 3 310.442 0.539 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001458305021 1012132662 /nfs/dbraw/zinc/13/26/62/1012132662.db2.gz LZWSTSKWTRTHAI-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001458305021 1012132673 /nfs/dbraw/zinc/13/26/73/1012132673.db2.gz LZWSTSKWTRTHAI-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCC(=O)N1CCO[C@@H](CNCc2cncc(F)c2)C1 ZINC001424226072 1012193943 /nfs/dbraw/zinc/19/39/43/1012193943.db2.gz CWVOXOSNXQXGRZ-HNNXBMFYSA-N 1 3 324.400 0.489 20 0 DCADHO C[NH+](C)CCC(=O)N1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001432257621 1012213042 /nfs/dbraw/zinc/21/30/42/1012213042.db2.gz WSTJALAPXRETOJ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001432311319 1012297698 /nfs/dbraw/zinc/29/76/98/1012297698.db2.gz TXNBKAXDDJOSJK-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CCN2C(=O)CC[NH+](C)C)C1 ZINC001445833389 1012324823 /nfs/dbraw/zinc/32/48/23/1012324823.db2.gz KJFUSBQFHPKJPM-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001432425952 1012473322 /nfs/dbraw/zinc/47/33/22/1012473322.db2.gz AUCZRUVZMSWMSJ-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001432425952 1012473328 /nfs/dbraw/zinc/47/33/28/1012473328.db2.gz AUCZRUVZMSWMSJ-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H](CC)C1 ZINC001446000944 1012507187 /nfs/dbraw/zinc/50/71/87/1012507187.db2.gz AXBNMMHAVTUCFL-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001424481993 1012558303 /nfs/dbraw/zinc/55/83/03/1012558303.db2.gz LKZJCEWDGXTYSC-WCQYABFASA-N 1 3 320.441 0.570 20 0 DCADHO O=C(N[C@@H]1COC2(CNC2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC001548568585 1012728608 /nfs/dbraw/zinc/72/86/08/1012728608.db2.gz ISJFEPLZSBENNK-NSHDSACASA-N 1 3 306.366 0.002 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)C[N@@H+]2C1 ZINC001548704647 1013000665 /nfs/dbraw/zinc/00/06/65/1013000665.db2.gz DOELZXBZRIALNM-DRRXZNNHSA-N 1 3 321.465 0.774 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)C[N@H+]2C1 ZINC001548704647 1013000684 /nfs/dbraw/zinc/00/06/84/1013000684.db2.gz DOELZXBZRIALNM-DRRXZNNHSA-N 1 3 321.465 0.774 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001479401113 1017541726 /nfs/dbraw/zinc/54/17/26/1017541726.db2.gz XUYAIUQKRPEMGQ-KKUMJFAQSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001479453388 1017558499 /nfs/dbraw/zinc/55/84/99/1017558499.db2.gz BSHVPNKXGKUKKY-BFHYXJOUSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNCc2cc3n(n2)CCC3)C1 ZINC001506896347 1017648566 /nfs/dbraw/zinc/64/85/66/1017648566.db2.gz MMAAFHMAASVQSV-HDJSIYSDSA-N 1 3 319.453 0.765 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001479691779 1017654480 /nfs/dbraw/zinc/65/44/80/1017654480.db2.gz FHLGVFFYRZOZSJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H]1CCN(C)C1=O ZINC001479838891 1017854146 /nfs/dbraw/zinc/85/41/46/1017854146.db2.gz IPLDHWVULSAXCC-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H]1CCN(C)C1=O ZINC001479838891 1017854164 /nfs/dbraw/zinc/85/41/64/1017854164.db2.gz IPLDHWVULSAXCC-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001479920506 1017974191 /nfs/dbraw/zinc/97/41/91/1017974191.db2.gz XOKXXMLWEWDMTO-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001497384394 1018100758 /nfs/dbraw/zinc/10/07/58/1018100758.db2.gz WWXCJIDNKDTOPQ-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001497384394 1018100764 /nfs/dbraw/zinc/10/07/64/1018100764.db2.gz WWXCJIDNKDTOPQ-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001480060960 1018172674 /nfs/dbraw/zinc/17/26/74/1018172674.db2.gz ZWRAIONTONQYLY-GXTWGEPZSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001480060960 1018172686 /nfs/dbraw/zinc/17/26/86/1018172686.db2.gz ZWRAIONTONQYLY-GXTWGEPZSA-N 1 3 320.441 0.439 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H](C)C(N)=O ZINC001494981818 1018202392 /nfs/dbraw/zinc/20/23/92/1018202392.db2.gz UCLKCMJKBLPBJX-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480114602 1018216892 /nfs/dbraw/zinc/21/68/92/1018216892.db2.gz AGXHTOMNFHKISU-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001494994198 1018217616 /nfs/dbraw/zinc/21/76/16/1018217616.db2.gz IFJNJLFNVWYMQF-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001480237524 1018349902 /nfs/dbraw/zinc/34/99/02/1018349902.db2.gz BQDAOQMNZVEVJC-ZNMIVQPWSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001495429523 1018500874 /nfs/dbraw/zinc/50/08/74/1018500874.db2.gz WPOVQLWAGGCVIC-GFCCVEGCSA-N 1 3 321.425 0.305 20 0 DCADHO COc1cncc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001495807442 1018707719 /nfs/dbraw/zinc/70/77/19/1018707719.db2.gz CFDKLEZGKAIGEI-CHWSQXEVSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cncc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001495807442 1018707730 /nfs/dbraw/zinc/70/77/30/1018707730.db2.gz CFDKLEZGKAIGEI-CHWSQXEVSA-N 1 3 321.425 0.279 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190321 1018737688 /nfs/dbraw/zinc/73/76/88/1018737688.db2.gz NMAIFQGGMBQLKM-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498190321 1018737702 /nfs/dbraw/zinc/73/77/02/1018737702.db2.gz NMAIFQGGMBQLKM-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)CCCC[NH+](C)C)C1)C1CCC1 ZINC001498248763 1018828646 /nfs/dbraw/zinc/82/86/46/1018828646.db2.gz HXZRDUJSGYBKCX-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496155441 1019117838 /nfs/dbraw/zinc/11/78/38/1019117838.db2.gz UNHNDNMHQQZWGZ-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCCNCc1ccn(C)n1)[NH+](C)C ZINC001498560189 1019229160 /nfs/dbraw/zinc/22/91/60/1019229160.db2.gz AKNMUYAJBSIUEC-HNNXBMFYSA-N 1 3 309.458 0.944 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001498561301 1019229771 /nfs/dbraw/zinc/22/97/71/1019229771.db2.gz ZTBOXNIHLDNMSX-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001501544085 1019284180 /nfs/dbraw/zinc/28/41/80/1019284180.db2.gz DZTRBLXRLWLKOY-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCc1cn(C)nn1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496444711 1019316662 /nfs/dbraw/zinc/31/66/62/1019316662.db2.gz BCRNTIPTPXLCHQ-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@H](O)C[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001496508651 1019361819 /nfs/dbraw/zinc/36/18/19/1019361819.db2.gz KBFYPIHXFZJGQX-ZDUSSCGKSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@H](O)C[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001496508651 1019361835 /nfs/dbraw/zinc/36/18/35/1019361835.db2.gz KBFYPIHXFZJGQX-ZDUSSCGKSA-N 1 3 308.426 0.894 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccnn1C ZINC001496602899 1019446266 /nfs/dbraw/zinc/44/62/66/1019446266.db2.gz LDHBJLQBSIBNAD-GDBMZVCRSA-N 1 3 321.469 0.992 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCO1 ZINC001502087803 1019702814 /nfs/dbraw/zinc/70/28/14/1019702814.db2.gz SUXLDNHYJWRCSB-HUUCEWRRSA-N 1 3 315.458 0.426 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001493801629 1019716406 /nfs/dbraw/zinc/71/64/06/1019716406.db2.gz ZKVOJXQBYQKDSE-GASCZTMLSA-N 1 3 324.469 0.482 20 0 DCADHO Cn1cnnc1CNC[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001496903297 1019746238 /nfs/dbraw/zinc/74/62/38/1019746238.db2.gz GMEUZTQOXNPNPR-CHWSQXEVSA-N 1 3 308.430 0.141 20 0 DCADHO CC(C)N(CCCNC(=O)CC1CC[NH+](C)CC1)CC(N)=O ZINC001493870659 1019773382 /nfs/dbraw/zinc/77/33/82/1019773382.db2.gz BVQLJYRMWVUEDA-UHFFFAOYSA-N 1 3 312.458 0.420 20 0 DCADHO O=C(NC[C@H](O)CNCc1cncs1)[C@H]1C[NH+]2CCC1CC2 ZINC001496987710 1019886911 /nfs/dbraw/zinc/88/69/11/1019886911.db2.gz XTIKEMHPBZPVCT-OCCSQVGLSA-N 1 3 324.450 0.052 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC[C@@H]2CCN([C@@H]3CCNC3=O)C2)CC1 ZINC001494042899 1019944537 /nfs/dbraw/zinc/94/45/37/1019944537.db2.gz MXYLZLYRJSBDEJ-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494052850 1019949980 /nfs/dbraw/zinc/94/99/80/1019949980.db2.gz OENZRWDRJONADY-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494052850 1019949990 /nfs/dbraw/zinc/94/99/90/1019949990.db2.gz OENZRWDRJONADY-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001494246422 1020097616 /nfs/dbraw/zinc/09/76/16/1020097616.db2.gz JYYIXYIBZGDWCZ-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419763521 283165958 /nfs/dbraw/zinc/16/59/58/283165958.db2.gz ODJHZVWKLNWDOH-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236888105 202054368 /nfs/dbraw/zinc/05/43/68/202054368.db2.gz QHSIPXJRCRPSTE-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000320589171 291257185 /nfs/dbraw/zinc/25/71/85/291257185.db2.gz VFQABDMNGSOPKR-UHFFFAOYSA-N 1 3 322.457 0.862 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419986183 240000196 /nfs/dbraw/zinc/00/01/96/240000196.db2.gz XHXACPFKHRWPKG-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420326818 240022601 /nfs/dbraw/zinc/02/26/01/240022601.db2.gz XVAJOWJQRUXROT-UKMLZYKCSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420326818 240022607 /nfs/dbraw/zinc/02/26/07/240022607.db2.gz XVAJOWJQRUXROT-UKMLZYKCSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@H]1CC[C@@H](C(N)=O)CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420326818 240022612 /nfs/dbraw/zinc/02/26/12/240022612.db2.gz XVAJOWJQRUXROT-UKMLZYKCSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000420028968 240010371 /nfs/dbraw/zinc/01/03/71/240010371.db2.gz NCIAUDHESWLUDE-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000567151089 291339505 /nfs/dbraw/zinc/33/95/05/291339505.db2.gz OQJHSQDTXILSHW-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459255732 241056200 /nfs/dbraw/zinc/05/62/00/241056200.db2.gz IKGMVNNKOQVVDJ-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459255732 241056207 /nfs/dbraw/zinc/05/62/07/241056207.db2.gz IKGMVNNKOQVVDJ-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO Cc1c(C(=O)NC[C@@H](C)N2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000567732177 291373634 /nfs/dbraw/zinc/37/36/34/291373634.db2.gz WUMXOLAPGBRZNW-GFCCVEGCSA-N 1 3 320.441 0.725 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000567811747 291379376 /nfs/dbraw/zinc/37/93/76/291379376.db2.gz FGQPDLPSFRZQFO-JKSUJKDBSA-N 1 3 317.433 0.579 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000568292691 291421821 /nfs/dbraw/zinc/42/18/21/291421821.db2.gz TXRGUGDDIMTGHO-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C(=O)c1cnn(C)c1 ZINC000264842038 204200561 /nfs/dbraw/zinc/20/05/61/204200561.db2.gz ATRBSUWXYCLOOA-UHFFFAOYSA-N 1 3 323.441 0.335 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001646564546 1172426328 /nfs/dbraw/zinc/42/63/28/1172426328.db2.gz UNWPFMZZSQROTD-CABCVRRESA-N 1 3 311.474 0.393 20 0 DCADHO CSCC[C@H]([NH3+])C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000040770548 183131286 /nfs/dbraw/zinc/13/12/86/183131286.db2.gz DFSUGBYOXKDPCU-UONOGXRCSA-N 1 3 316.515 0.455 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[C@H]2CSCC[NH2+]2)C1(C)C ZINC001646758365 1172514616 /nfs/dbraw/zinc/51/46/16/1172514616.db2.gz LCTBPWXNKHBRDU-YWPYICTPSA-N 1 3 315.483 0.730 20 0 DCADHO C[C@H](C[NH3+])C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000285804763 218645620 /nfs/dbraw/zinc/64/56/20/218645620.db2.gz QRJAIAAUVBKQDV-GFCCVEGCSA-N 1 3 306.410 0.189 20 0 DCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCN(CC)CC2)CC1 ZINC000430551295 535461524 /nfs/dbraw/zinc/46/15/24/535461524.db2.gz LQGDPGBFJKGXFS-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000347047067 285055088 /nfs/dbraw/zinc/05/50/88/285055088.db2.gz QOTYFCWPJZBFHZ-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000339575512 253107053 /nfs/dbraw/zinc/10/70/53/253107053.db2.gz SQBYQCNFXZIMOL-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000339575849 253107756 /nfs/dbraw/zinc/10/77/56/253107756.db2.gz BVJMYXOQTXLFFP-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000339575849 253107758 /nfs/dbraw/zinc/10/77/58/253107758.db2.gz BVJMYXOQTXLFFP-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000339580114 253108872 /nfs/dbraw/zinc/10/88/72/253108872.db2.gz FXVIPOWSPWVLKA-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000339580114 253108874 /nfs/dbraw/zinc/10/88/74/253108874.db2.gz FXVIPOWSPWVLKA-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000339633570 253117733 /nfs/dbraw/zinc/11/77/33/253117733.db2.gz RCDJIQJGGGCSOV-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000339634143 253118763 /nfs/dbraw/zinc/11/87/63/253118763.db2.gz MMBHJIUAPIPQCE-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](NC(=O)C(=O)NC1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000339634926 253118834 /nfs/dbraw/zinc/11/88/34/253118834.db2.gz LHEMAZKUERYNJB-LBPRGKRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339667623 253123163 /nfs/dbraw/zinc/12/31/63/253123163.db2.gz UYFGFUJJEAOHJR-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339667623 253123165 /nfs/dbraw/zinc/12/31/65/253123165.db2.gz UYFGFUJJEAOHJR-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000339667888 253123231 /nfs/dbraw/zinc/12/32/31/253123231.db2.gz JRGQBAQUYZXSSD-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000339671601 253124001 /nfs/dbraw/zinc/12/40/01/253124001.db2.gz UTEIZXXUUXUAJU-SWLSCSKDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000340202461 253215662 /nfs/dbraw/zinc/21/56/62/253215662.db2.gz MGDJMAAWVPWXOW-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000340202461 253215664 /nfs/dbraw/zinc/21/56/64/253215664.db2.gz MGDJMAAWVPWXOW-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000340123215 253204486 /nfs/dbraw/zinc/20/44/86/253204486.db2.gz OGTXMPDFTDNALK-ZNMIVQPWSA-N 1 3 324.469 0.420 20 0 DCADHO CN(CCNC(=O)NCCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000340254096 253225625 /nfs/dbraw/zinc/22/56/25/253225625.db2.gz RPFWGPKSSDIVNR-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340496791 253266724 /nfs/dbraw/zinc/26/67/24/253266724.db2.gz GXLZFVVZOCTUNF-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340496791 253266725 /nfs/dbraw/zinc/26/67/25/253266725.db2.gz GXLZFVVZOCTUNF-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000342697584 253527535 /nfs/dbraw/zinc/52/75/35/253527535.db2.gz SBFHPMHCMFPTLW-ZIAGYGMSSA-N 1 3 311.426 0.457 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000342697584 253527537 /nfs/dbraw/zinc/52/75/37/253527537.db2.gz SBFHPMHCMFPTLW-ZIAGYGMSSA-N 1 3 311.426 0.457 20 0 DCADHO CCCN(C)CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000346263589 254029704 /nfs/dbraw/zinc/02/97/04/254029704.db2.gz PDOAMOHVWGBZBR-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO Cn1cc(C(=O)NCC2CCN(C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000346862056 254104985 /nfs/dbraw/zinc/10/49/85/254104985.db2.gz WMSGOAPFHWFWNS-HNNXBMFYSA-N 1 3 319.453 0.862 20 0 DCADHO Cn1cc(C(=O)NCC2CC[NH+](C[C@H]3CCCNC3)CC2)cn1 ZINC000346862056 254104986 /nfs/dbraw/zinc/10/49/86/254104986.db2.gz WMSGOAPFHWFWNS-HNNXBMFYSA-N 1 3 319.453 0.862 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000347999991 254211220 /nfs/dbraw/zinc/21/12/20/254211220.db2.gz GFFWODWXLDYFAV-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000349938920 254305388 /nfs/dbraw/zinc/30/53/88/254305388.db2.gz VFWJJBAZYSTFSI-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000349938920 254305390 /nfs/dbraw/zinc/30/53/90/254305390.db2.gz VFWJJBAZYSTFSI-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cccn1 ZINC000299731482 285243706 /nfs/dbraw/zinc/24/37/06/285243706.db2.gz YOTRAPJOYXPYBR-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cccn1 ZINC000299731482 285243707 /nfs/dbraw/zinc/24/37/07/285243707.db2.gz YOTRAPJOYXPYBR-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262322609 285270368 /nfs/dbraw/zinc/27/03/68/285270368.db2.gz RMSOPFZOJCTQGY-HNNXBMFYSA-N 1 3 319.453 0.905 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1cncn1 ZINC000348223822 285279193 /nfs/dbraw/zinc/27/91/93/285279193.db2.gz MIMPDBJKRSQKCG-CABCVRRESA-N 1 3 322.457 0.714 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1cncn1 ZINC000348223822 285279198 /nfs/dbraw/zinc/27/91/98/285279198.db2.gz MIMPDBJKRSQKCG-CABCVRRESA-N 1 3 322.457 0.714 20 0 DCADHO CCN(CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CC1 ZINC000236865175 395900191 /nfs/dbraw/zinc/90/01/91/395900191.db2.gz UPVAHLXIFLBAME-UHFFFAOYSA-N 1 3 306.414 0.417 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CN1C1CC1 ZINC000237491537 395913698 /nfs/dbraw/zinc/91/36/98/395913698.db2.gz BSNXGDCBGKYTOM-NEPJUHHUSA-N 1 3 318.425 0.558 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237821873 395919129 /nfs/dbraw/zinc/91/91/29/395919129.db2.gz DCUPRTBUUILGOE-INIZCTEOSA-N 1 3 305.422 0.913 20 0 DCADHO CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000230978369 395882974 /nfs/dbraw/zinc/88/29/74/395882974.db2.gz OFHYNSQLQCYEDK-MELADBBJSA-N 1 3 303.472 0.826 20 0 DCADHO CS(=O)(=O)NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000230978369 395882977 /nfs/dbraw/zinc/88/29/77/395882977.db2.gz OFHYNSQLQCYEDK-MELADBBJSA-N 1 3 303.472 0.826 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261616041 396049836 /nfs/dbraw/zinc/04/98/36/396049836.db2.gz AFZJPVKPTMSLGL-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO COc1ccccc1OCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261622980 396050453 /nfs/dbraw/zinc/05/04/53/396050453.db2.gz BAFJGLSWRMCGKM-CQSZACIVSA-N 1 3 321.421 0.861 20 0 DCADHO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000261682374 396056381 /nfs/dbraw/zinc/05/63/81/396056381.db2.gz LZURYCKANXXHBC-CQSZACIVSA-N 1 3 311.451 0.978 20 0 DCADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000261784143 396065873 /nfs/dbraw/zinc/06/58/73/396065873.db2.gz XESLMZCCQNLDBQ-OWCLPIDISA-N 1 3 305.422 0.909 20 0 DCADHO COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000261820298 396069412 /nfs/dbraw/zinc/06/94/12/396069412.db2.gz WNRFDSQRAHBRLH-AWEZNQCLSA-N 1 3 321.421 0.991 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 ZINC000262015366 396090144 /nfs/dbraw/zinc/09/01/44/396090144.db2.gz WWFIKDSPEPMIGP-HNNXBMFYSA-N 1 3 303.406 0.908 20 0 DCADHO CCN1CCN(Cc2ccc(CNC(=O)CC[NH3+])cc2)CC1 ZINC000262131754 396101777 /nfs/dbraw/zinc/10/17/77/396101777.db2.gz KKYVSJYERQFSBC-UHFFFAOYSA-N 1 3 304.438 0.789 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262296790 396120032 /nfs/dbraw/zinc/12/00/32/396120032.db2.gz PDKVKEATCKYZBU-HNNXBMFYSA-N 1 3 319.453 0.952 20 0 DCADHO COCCN1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262350129 396128701 /nfs/dbraw/zinc/12/87/01/396128701.db2.gz UJBFQCHRSFHYOM-WJTFHPDPSA-N 1 3 309.454 0.977 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000263243976 396208298 /nfs/dbraw/zinc/20/82/98/396208298.db2.gz MCIMSVVOCHVACX-ZFWWWQNUSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000073728510 396150052 /nfs/dbraw/zinc/15/00/52/396150052.db2.gz KXUOLFPLNHTKAF-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000073728510 396150054 /nfs/dbraw/zinc/15/00/54/396150054.db2.gz KXUOLFPLNHTKAF-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279076518 396151803 /nfs/dbraw/zinc/15/18/03/396151803.db2.gz UQPNCTUSOSJVRE-HFAKWTLXSA-N 1 3 303.410 0.699 20 0 DCADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCN2CCC[C@@H]2C1 ZINC000262774206 396180997 /nfs/dbraw/zinc/18/09/97/396180997.db2.gz MSMBHNBSGXGAKO-UONOGXRCSA-N 1 3 303.410 0.728 20 0 DCADHO CC[NH+](CC)CCNC(=O)NCCCCN1CCN(C)CC1 ZINC000077539479 396225497 /nfs/dbraw/zinc/22/54/97/396225497.db2.gz WTQVSIRTSWTCOV-UHFFFAOYSA-N 1 3 313.490 0.655 20 0 DCADHO CC(C)[NH+](CCNC(=O)NCC1(O)CCN(C)CC1)C(C)C ZINC000077751994 396230996 /nfs/dbraw/zinc/23/09/96/396230996.db2.gz SGQLZDONBRSMSA-UHFFFAOYSA-N 1 3 314.474 0.861 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000269246007 396399367 /nfs/dbraw/zinc/39/93/67/396399367.db2.gz DMYPZJYIUJAMDN-GDBMZVCRSA-N 1 3 321.421 0.009 20 0 DCADHO CC(C)[N@H+](C)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000269493520 396418650 /nfs/dbraw/zinc/41/86/50/396418650.db2.gz CQYJXPLOTYZETE-KRWDZBQOSA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)[N@@H+](C)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000269493520 396418652 /nfs/dbraw/zinc/41/86/52/396418652.db2.gz CQYJXPLOTYZETE-KRWDZBQOSA-N 1 3 319.449 0.862 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])C2)nn1 ZINC000580774133 396499327 /nfs/dbraw/zinc/49/93/27/396499327.db2.gz ZMGFTMAKVRWSBZ-NWANDNLSSA-N 1 3 320.441 0.808 20 0 DCADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](C)C1 ZINC000581777577 396583123 /nfs/dbraw/zinc/58/31/23/396583123.db2.gz WTZKLEZBBHHXOK-FZKCQIBNSA-N 1 3 324.469 0.737 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCCC1 ZINC000581121611 396527170 /nfs/dbraw/zinc/52/71/70/396527170.db2.gz RYYLLUCTEJFIGI-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO CN1CCC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1cccs1 ZINC000372891301 396552108 /nfs/dbraw/zinc/55/21/08/396552108.db2.gz MPYWOYRDRMYVRI-RMRHIDDWSA-N 1 3 323.462 0.970 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000372916169 396554033 /nfs/dbraw/zinc/55/40/33/396554033.db2.gz GLKWTLYDOKHHNT-DRPJVOAASA-N 1 3 303.406 0.488 20 0 DCADHO COCCN(C)CCC[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000373388611 396587748 /nfs/dbraw/zinc/58/77/48/396587748.db2.gz ASIQYPZZNXFUOV-UHFFFAOYSA-N 1 3 318.425 0.935 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn2ccccc12 ZINC000531357579 396595250 /nfs/dbraw/zinc/59/52/50/396595250.db2.gz DJZGPXUUPRWYBS-UHFFFAOYSA-N 1 3 303.410 0.900 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000531550596 396598235 /nfs/dbraw/zinc/59/82/35/396598235.db2.gz ACRNDFZUVAQFKV-IPYPFGDCSA-N 1 3 310.442 0.489 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000531550596 396598238 /nfs/dbraw/zinc/59/82/38/396598238.db2.gz ACRNDFZUVAQFKV-IPYPFGDCSA-N 1 3 310.442 0.489 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506157 396619467 /nfs/dbraw/zinc/61/94/67/396619467.db2.gz APRLKNZTPSQXIA-INIZCTEOSA-N 1 3 311.426 0.426 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506157 396619471 /nfs/dbraw/zinc/61/94/71/396619471.db2.gz APRLKNZTPSQXIA-INIZCTEOSA-N 1 3 311.426 0.426 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000561256518 396637020 /nfs/dbraw/zinc/63/70/20/396637020.db2.gz CUOGDVYVFJKLED-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000561267078 396637838 /nfs/dbraw/zinc/63/78/38/396637838.db2.gz CDKALYCABNONON-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)CCN(C(=O)NC[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000562821046 396683064 /nfs/dbraw/zinc/68/30/64/396683064.db2.gz PBOKIBHLKIFMLM-HNNXBMFYSA-N 1 3 311.474 0.406 20 0 DCADHO CCN(CCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000563566837 396751341 /nfs/dbraw/zinc/75/13/41/396751341.db2.gz PFAQHTGCXIWZIK-OAHLLOKOSA-N 1 3 309.458 0.160 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000563581320 396751525 /nfs/dbraw/zinc/75/15/25/396751525.db2.gz LWZYOYSGHNFZRB-SOUVJXGZSA-N 1 3 310.442 0.394 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC000590786921 396840774 /nfs/dbraw/zinc/84/07/74/396840774.db2.gz UGLZZSFPNWNXNW-UHFFFAOYSA-N 1 3 310.442 0.981 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC000590786921 396840782 /nfs/dbraw/zinc/84/07/82/396840782.db2.gz UGLZZSFPNWNXNW-UHFFFAOYSA-N 1 3 310.442 0.981 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000629613977 396810169 /nfs/dbraw/zinc/81/01/69/396810169.db2.gz ULVCWTGZINGENP-GHMZBOCLSA-N 1 3 310.364 0.279 20 0 DCADHO O=C(NC[C@H]1CCCN(CC2=CCCOC2)C1)[C@H]1CCC[NH2+]1 ZINC000629647423 396815115 /nfs/dbraw/zinc/81/51/15/396815115.db2.gz UOAZRNKQASSKNF-GDBMZVCRSA-N 1 3 307.438 0.913 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)C1 ZINC000332642691 396889900 /nfs/dbraw/zinc/88/99/00/396889900.db2.gz RYDPHRIBDYBAQL-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000629976761 396902485 /nfs/dbraw/zinc/90/24/85/396902485.db2.gz BIFWUFZWOFCENZ-WBVHZDCISA-N 1 3 322.497 0.955 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CN1C1CC1 ZINC000333157795 396919761 /nfs/dbraw/zinc/91/97/61/396919761.db2.gz FZMAEXCWPJIHNV-IJEWVQPXSA-N 1 3 321.469 0.301 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000333341147 396922811 /nfs/dbraw/zinc/92/28/11/396922811.db2.gz YAMPTLVTTNWMKB-HZPDHXFCSA-N 1 3 308.470 0.742 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000333341147 396922815 /nfs/dbraw/zinc/92/28/15/396922815.db2.gz YAMPTLVTTNWMKB-HZPDHXFCSA-N 1 3 308.470 0.742 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@H](C)[NH3+] ZINC000571881201 396996685 /nfs/dbraw/zinc/99/66/85/396996685.db2.gz WDMCVPGRABVOAJ-UBHSHLNASA-N 1 3 308.430 0.520 20 0 DCADHO CO[C@@H]1CN(C(=O)c2cccc3c2CCNC3)[C@](C)(C[NH3+])C1 ZINC000630374895 397000885 /nfs/dbraw/zinc/00/08/85/397000885.db2.gz KLFBSEFWTHWTHT-GUYCJALGSA-N 1 3 303.406 0.911 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000571985096 397009082 /nfs/dbraw/zinc/00/90/82/397009082.db2.gz XLRLTHUSUPIOQT-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])CN1CCN(C)CC1 ZINC000345687989 397015885 /nfs/dbraw/zinc/01/58/85/397015885.db2.gz HYMBCFTXEWDYTR-INMHGKMJSA-N 1 3 310.486 0.894 20 0 DCADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000573008048 397124784 /nfs/dbraw/zinc/12/47/84/397124784.db2.gz QRLMAKZOHSSTLY-CYBMUJFWSA-N 1 3 303.472 0.873 20 0 DCADHO CC[C@@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC000573325885 397158178 /nfs/dbraw/zinc/15/81/78/397158178.db2.gz WDMFHAMOTIXCCX-ZFWWWQNUSA-N 1 3 306.414 0.433 20 0 DCADHO CCCN(CC[NH+](CC)CC)C(=O)[C@H]1CN2CCN1CCC2 ZINC000364083907 397181820 /nfs/dbraw/zinc/18/18/20/397181820.db2.gz XNZMVOLZBYOBFV-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000573609943 397187379 /nfs/dbraw/zinc/18/73/79/397187379.db2.gz GXEXFUNRGSUBLI-MRXNPFEDSA-N 1 3 311.426 0.520 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000574262077 397249725 /nfs/dbraw/zinc/24/97/25/397249725.db2.gz XDUOAOMFWUTWJX-WCVJEAGWSA-N 1 3 300.406 0.778 20 0 DCADHO COC(=O)COCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964617 397275313 /nfs/dbraw/zinc/27/53/13/397275313.db2.gz JHCBWQGLQWLQGJ-QGZVFWFLSA-N 1 3 322.405 0.403 20 0 DCADHO COC(=O)COCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964617 397275320 /nfs/dbraw/zinc/27/53/20/397275320.db2.gz JHCBWQGLQWLQGJ-QGZVFWFLSA-N 1 3 322.405 0.403 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000601970072 397276966 /nfs/dbraw/zinc/27/69/66/397276966.db2.gz XAMLEOVVRPYAKE-HIFRSBDPSA-N 1 3 318.421 0.929 20 0 DCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCCC(=O)NC(N)=O ZINC000601970072 397276970 /nfs/dbraw/zinc/27/69/70/397276970.db2.gz XAMLEOVVRPYAKE-HIFRSBDPSA-N 1 3 318.421 0.929 20 0 DCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCCC(=O)NC(N)=O ZINC000601970072 397276971 /nfs/dbraw/zinc/27/69/71/397276971.db2.gz XAMLEOVVRPYAKE-HIFRSBDPSA-N 1 3 318.421 0.929 20 0 DCADHO N[C@H]1C[C@H]2CN(C(=O)CC3(C[NH3+])CCCCC3)CCN2C1=O ZINC000574652511 397288210 /nfs/dbraw/zinc/28/82/10/397288210.db2.gz QATWPFXEMGYZEF-STQMWFEESA-N 1 3 308.426 0.056 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CCN1C ZINC000592960257 397304888 /nfs/dbraw/zinc/30/48/88/397304888.db2.gz WERNKZPEBFHXCA-JHJVBQTASA-N 1 3 305.426 0.932 20 0 DCADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000574868560 397306613 /nfs/dbraw/zinc/30/66/13/397306613.db2.gz BLCRRBAZKDKQHQ-GFCCVEGCSA-N 1 3 304.394 0.573 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419528041 397380653 /nfs/dbraw/zinc/38/06/53/397380653.db2.gz VVHMXGFDLZJZIW-XQLPTFJDSA-N 1 3 324.469 0.419 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000369044528 397431230 /nfs/dbraw/zinc/43/12/30/397431230.db2.gz OKIGZUZGHLEXEM-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000369044528 397431235 /nfs/dbraw/zinc/43/12/35/397431235.db2.gz OKIGZUZGHLEXEM-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000578440577 397436555 /nfs/dbraw/zinc/43/65/55/397436555.db2.gz AANUWBRMUQRSKM-NFAWXSAZSA-N 1 3 320.441 0.442 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000578490420 397442223 /nfs/dbraw/zinc/44/22/23/397442223.db2.gz HFVCIYUNIQSGNQ-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000471641097 397449417 /nfs/dbraw/zinc/44/94/17/397449417.db2.gz CFKOJBZAGKTYGC-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000479271092 397459367 /nfs/dbraw/zinc/45/93/67/397459367.db2.gz OQGAGVOVHBZBPQ-LCGIIJARSA-N 1 3 303.406 0.661 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@H]1[NH3+] ZINC000578738310 397475147 /nfs/dbraw/zinc/47/51/47/397475147.db2.gz GIOFKVGOMIPQMV-UKRRQHHQSA-N 1 3 322.453 0.269 20 0 DCADHO CCCN(C(=O)C(=O)N1CC[C@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000578738644 397475312 /nfs/dbraw/zinc/47/53/12/397475312.db2.gz IOCABBVKWGNFTI-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO NC[C@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C(F)(F)F ZINC000594450821 397554235 /nfs/dbraw/zinc/55/42/35/397554235.db2.gz BEYMFFASYKGXEE-APPZFPTMSA-N 1 3 305.304 0.339 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000605842312 397672332 /nfs/dbraw/zinc/67/23/32/397672332.db2.gz UQPAAYYAARGNRA-CQSZACIVSA-N 1 3 310.442 0.633 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[NH+](C)C)CC1 ZINC000608615084 397740478 /nfs/dbraw/zinc/74/04/78/397740478.db2.gz JFAZMCVHHOEXKN-OAHLLOKOSA-N 1 3 313.490 0.511 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C[C@H]1CSCCN1 ZINC000133954928 286441910 /nfs/dbraw/zinc/44/19/10/286441910.db2.gz ZJWRKUXVLFVVIP-QWHCGFSZSA-N 1 3 303.472 0.555 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(CC)CCC[NH2+]2)CC1 ZINC000134620211 158328795 /nfs/dbraw/zinc/32/87/95/158328795.db2.gz BQINKWAHZZPHQN-WBVHZDCISA-N 1 3 310.486 0.908 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)CC1=O ZINC000072826121 286912310 /nfs/dbraw/zinc/91/23/10/286912310.db2.gz VTTNMKAGAKABED-CYBMUJFWSA-N 1 3 312.458 0.101 20 0 DCADHO COCCNCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237268233 287066325 /nfs/dbraw/zinc/06/63/25/287066325.db2.gz DJTBUGLEXQNYKA-UHFFFAOYSA-N 1 3 305.422 0.660 20 0 DCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCN1CCCO ZINC000418342926 287244912 /nfs/dbraw/zinc/24/49/12/287244912.db2.gz JAUCWEJHYMBLIU-LSDHHAIUSA-N 1 3 312.458 0.522 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418635508 287251767 /nfs/dbraw/zinc/25/17/67/287251767.db2.gz KURCBCIJNNHXDU-WBVHZDCISA-N 1 3 320.437 0.485 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420299876 287287294 /nfs/dbraw/zinc/28/72/94/287287294.db2.gz BTPWKZUSKPDDGS-HOTGVXAUSA-N 1 3 320.437 0.065 20 0 DCADHO CS(=O)(=O)NC[C@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000420324375 287290763 /nfs/dbraw/zinc/29/07/63/287290763.db2.gz VCNYZRYGLPFVMV-ZIAGYGMSSA-N 1 3 303.472 0.780 20 0 DCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000332085358 415235484 /nfs/dbraw/zinc/23/54/84/415235484.db2.gz FMVVUKYDQQLWKB-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000332111183 415252988 /nfs/dbraw/zinc/25/29/88/415252988.db2.gz SWOTYTCYAHOBPO-GBJTYRQASA-N 1 3 322.453 0.315 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000342734562 415271752 /nfs/dbraw/zinc/27/17/52/415271752.db2.gz LUWNAFIGMOUGTO-CQSZACIVSA-N 1 3 323.393 0.846 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000422902470 287302558 /nfs/dbraw/zinc/30/25/58/287302558.db2.gz DHJLPWUEIDFZHG-CVEARBPZSA-N 1 3 304.438 0.947 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332271952 415325871 /nfs/dbraw/zinc/32/58/71/415325871.db2.gz CGXXLHHTYVOCRJ-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCN1C ZINC000332289397 415333983 /nfs/dbraw/zinc/33/39/83/415333983.db2.gz HCGLCQZDTDQSCO-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCN1C ZINC000332289397 415333989 /nfs/dbraw/zinc/33/39/89/415333989.db2.gz HCGLCQZDTDQSCO-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000342895150 415342638 /nfs/dbraw/zinc/34/26/38/415342638.db2.gz WHHRSQKIENSYIR-OWCLPIDISA-N 1 3 310.486 0.574 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000342895150 415342645 /nfs/dbraw/zinc/34/26/45/415342645.db2.gz WHHRSQKIENSYIR-OWCLPIDISA-N 1 3 310.486 0.574 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422908039 287303469 /nfs/dbraw/zinc/30/34/69/287303469.db2.gz CUHVQHOKNYEWKQ-JKSUJKDBSA-N 1 3 304.438 0.947 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000353467517 415551754 /nfs/dbraw/zinc/55/17/54/415551754.db2.gz LRQOHQYNMVYJAI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000353467516 415552812 /nfs/dbraw/zinc/55/28/12/415552812.db2.gz LRQOHQYNMVYJAI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC[C@H]2C[NH2+]CCCO2)CCSC1 ZINC000333128773 415564188 /nfs/dbraw/zinc/56/41/88/415564188.db2.gz BMJIBWLXHFKWLV-OCCSQVGLSA-N 1 3 316.471 0.101 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1CC[NH2+]CC1 ZINC000353642938 415611763 /nfs/dbraw/zinc/61/17/63/415611763.db2.gz PBEVTPTXWUHETR-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353669535 415620448 /nfs/dbraw/zinc/62/04/48/415620448.db2.gz UXFSCZLRPZFQLZ-WFASDCNBSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC[C@H]1[NH3+] ZINC000333402591 415638120 /nfs/dbraw/zinc/63/81/20/415638120.db2.gz QESRJXQNVJKDTH-BZPMIXESSA-N 1 3 300.472 0.802 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]Cc3ccccc32)C1 ZINC000333231475 415589782 /nfs/dbraw/zinc/58/97/82/415589782.db2.gz YJZQNMFAMJBUPC-CQSZACIVSA-N 1 3 302.422 0.794 20 0 DCADHO NC1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000353574450 415592817 /nfs/dbraw/zinc/59/28/17/415592817.db2.gz CDWVURHLTNATEE-UHFFFAOYSA-N 1 3 303.406 0.751 20 0 DCADHO CC[N@H+](CCNC(=O)NCC1CCN(CCO)CC1)C(C)C ZINC000111850673 415696273 /nfs/dbraw/zinc/69/62/73/415696273.db2.gz ZXBSIGZPVYKNGE-UHFFFAOYSA-N 1 3 314.474 0.720 20 0 DCADHO CC[N@@H+](CCNC(=O)NCC1CCN(CCO)CC1)C(C)C ZINC000111850673 415696282 /nfs/dbraw/zinc/69/62/82/415696282.db2.gz ZXBSIGZPVYKNGE-UHFFFAOYSA-N 1 3 314.474 0.720 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333708894 415721387 /nfs/dbraw/zinc/72/13/87/415721387.db2.gz RXVOYXYKVCRMBW-KBPBESRZSA-N 1 3 310.442 0.633 20 0 DCADHO CCN1CC[C@@H](N(C)C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)[C@@H](C)C1 ZINC000343776997 415723130 /nfs/dbraw/zinc/72/31/30/415723130.db2.gz WRDLJNKBQBASLT-NIOBXDJOSA-N 1 3 321.465 0.990 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)C[C@H]1c1ccccc1 ZINC000333620985 415699448 /nfs/dbraw/zinc/69/94/48/415699448.db2.gz ZLAZYBOEQWDXTA-SOUVJXGZSA-N 1 3 304.394 0.111 20 0 DCADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CNCCO2)([NH+](C)C)C1 ZINC000333811742 415744023 /nfs/dbraw/zinc/74/40/23/415744023.db2.gz PRGYUFFCPBBKAT-IJEWVQPXSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000333817334 415745505 /nfs/dbraw/zinc/74/55/05/415745505.db2.gz KHNDQCVAIJEQPU-RBSFLKMASA-N 1 3 311.474 0.310 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000119369758 415748030 /nfs/dbraw/zinc/74/80/30/415748030.db2.gz NUUYCRCVTKEBFU-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)OC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343877873 415762729 /nfs/dbraw/zinc/76/27/29/415762729.db2.gz ZBRQOBWYWJMRCL-BRWVUGGUSA-N 1 3 313.486 0.730 20 0 DCADHO CC(C)C[C@@H](CNC(=O)CNC(=O)[C@H](N)C(C)C)[NH+](C)C ZINC000336842818 415832196 /nfs/dbraw/zinc/83/21/96/415832196.db2.gz UDRKGYRHQSECHV-GXTWGEPZSA-N 1 3 300.447 0.178 20 0 DCADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000336852545 415835864 /nfs/dbraw/zinc/83/58/64/415835864.db2.gz SYTXSQRECBFJKY-MJBXVCDLSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CNC(=O)NCCNc1ccncc1)C[NH+]1CCCC1 ZINC000356188479 415877470 /nfs/dbraw/zinc/87/74/70/415877470.db2.gz KGVQJTTTXYQTLV-CQSZACIVSA-N 1 3 305.426 0.947 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)CC[C@@H]21 ZINC000344426565 415913129 /nfs/dbraw/zinc/91/31/29/415913129.db2.gz NLEADBBWQBTUOR-OWCLPIDISA-N 1 3 306.454 0.319 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CN4CCN3CCC4)CC[C@@H]21 ZINC000344426565 415913131 /nfs/dbraw/zinc/91/31/31/415913131.db2.gz NLEADBBWQBTUOR-OWCLPIDISA-N 1 3 306.454 0.319 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000357248882 416053507 /nfs/dbraw/zinc/05/35/07/416053507.db2.gz WGZBKKMLLGIOMD-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000357248882 416053509 /nfs/dbraw/zinc/05/35/09/416053509.db2.gz WGZBKKMLLGIOMD-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CCOCC[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000345183391 416058102 /nfs/dbraw/zinc/05/81/02/416058102.db2.gz GBJGSJPAKAUUNC-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@H]2CC[NH3+])CC1=O ZINC000357361416 416067598 /nfs/dbraw/zinc/06/75/98/416067598.db2.gz KANRUDYZEXEPRD-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CN1C1CC1 ZINC000164164981 416017741 /nfs/dbraw/zinc/01/77/41/416017741.db2.gz PZDRIMGIDWYCED-UONOGXRCSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CN1C1CC1 ZINC000164164981 416017746 /nfs/dbraw/zinc/01/77/46/416017746.db2.gz PZDRIMGIDWYCED-UONOGXRCSA-N 1 3 324.469 0.710 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N1CCOCC1 ZINC000171165967 416039160 /nfs/dbraw/zinc/03/91/60/416039160.db2.gz PWKBNDWRMGSAFO-OAHLLOKOSA-N 1 3 312.458 0.787 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N1CCOCC1 ZINC000171165967 416039162 /nfs/dbraw/zinc/03/91/62/416039162.db2.gz PWKBNDWRMGSAFO-OAHLLOKOSA-N 1 3 312.458 0.787 20 0 DCADHO CNC(=O)[C@H](C)CN(C)CC(C)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000176351108 416123209 /nfs/dbraw/zinc/12/32/09/416123209.db2.gz QIDMEEDFNDTCEK-ZIAGYGMSSA-N 1 3 314.474 0.250 20 0 DCADHO CNC(=O)[C@H](C)CN(C)CC(C)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000176351108 416123212 /nfs/dbraw/zinc/12/32/12/416123212.db2.gz QIDMEEDFNDTCEK-ZIAGYGMSSA-N 1 3 314.474 0.250 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000345692173 416134500 /nfs/dbraw/zinc/13/45/00/416134500.db2.gz MOQPVOFDYLHLAY-VXGBXAGGSA-N 1 3 307.385 0.928 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN(CC)CCO ZINC000358273180 416220166 /nfs/dbraw/zinc/22/01/66/416220166.db2.gz JLQUJWBRQHYESB-AWEZNQCLSA-N 1 3 300.447 0.474 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCN(CC)CCO ZINC000358273180 416220168 /nfs/dbraw/zinc/22/01/68/416220168.db2.gz JLQUJWBRQHYESB-AWEZNQCLSA-N 1 3 300.447 0.474 20 0 DCADHO C[NH+]1CCC(O)(CNCc2cnn(CC(F)(F)F)c2)CC1 ZINC000330664365 416225233 /nfs/dbraw/zinc/22/52/33/416225233.db2.gz FYQQCTAPMQPCJQ-UHFFFAOYSA-N 1 3 306.332 0.992 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CN2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000358531055 416251328 /nfs/dbraw/zinc/25/13/28/416251328.db2.gz UGMUHAQBADNYIO-UXLLHSPISA-N 1 3 313.486 0.730 20 0 DCADHO C[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)C(C)(C)C[NH+](C)C ZINC000358712530 416272921 /nfs/dbraw/zinc/27/29/21/416272921.db2.gz VJKLEPXIHQBLQX-DOMZBBRYSA-N 1 3 300.447 0.329 20 0 DCADHO CC(C)[NH+](CCCNC(=O)NC[C@@]1(O)CCN(C)C1)C(C)C ZINC000358728693 416275481 /nfs/dbraw/zinc/27/54/81/416275481.db2.gz YULKJPJLKNUHKN-INIZCTEOSA-N 1 3 314.474 0.861 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000359302752 416320013 /nfs/dbraw/zinc/32/00/13/416320013.db2.gz FBNSNZUFZLMIHE-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000359302752 416320016 /nfs/dbraw/zinc/32/00/16/416320016.db2.gz FBNSNZUFZLMIHE-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCO)CCNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415946615 416357971 /nfs/dbraw/zinc/35/79/71/416357971.db2.gz OAZFNWFTELVBQD-UHFFFAOYSA-N 1 3 310.398 0.460 20 0 DCADHO Cc1c(C(=O)NCCN2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000237785418 416329047 /nfs/dbraw/zinc/32/90/47/416329047.db2.gz VIHOYJWOGSGMTP-UHFFFAOYSA-N 1 3 320.441 0.727 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418118835 416385688 /nfs/dbraw/zinc/38/56/88/416385688.db2.gz UKVRKHFJAAELMB-KGLIPLIRSA-N 1 3 300.447 0.770 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000418988761 416395247 /nfs/dbraw/zinc/39/52/47/416395247.db2.gz SGDIRHDOSRYKKQ-OAHLLOKOSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N[C@H](CN)C1CC1)[NH+]1CCCCC1 ZINC000419716695 416405070 /nfs/dbraw/zinc/40/50/70/416405070.db2.gz RRJPYMPVZPCJLW-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO CC1(C)CC(NC(=O)C(=O)N2CCCC[C@H]2CN)CC(C)(C)[NH2+]1 ZINC000419729062 416407132 /nfs/dbraw/zinc/40/71/32/416407132.db2.gz ZPRZEQRUSUIDGM-ZDUSSCGKSA-N 1 3 324.469 0.752 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419770858 416409997 /nfs/dbraw/zinc/40/99/97/416409997.db2.gz XCWINPFEILDSJN-AWEZNQCLSA-N 1 3 312.458 0.422 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419775090 416410033 /nfs/dbraw/zinc/41/00/33/416410033.db2.gz KNNCGDLPLGSZRF-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[C@@H]1[NH3+] ZINC000419769110 416410070 /nfs/dbraw/zinc/41/00/70/416410070.db2.gz DATYDUIAVJHIBF-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419770598 416410075 /nfs/dbraw/zinc/41/00/75/416410075.db2.gz FTOQPLRCZVRUFU-SUMWQHHRSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419778196 416411039 /nfs/dbraw/zinc/41/10/39/416411039.db2.gz OEXFIFZGVVORMP-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO CN1CCN(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1(C)C ZINC000423100948 416465136 /nfs/dbraw/zinc/46/51/36/416465136.db2.gz NDBCIVRNRSXYCE-CVEARBPZSA-N 1 3 310.486 0.369 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423238628 416480161 /nfs/dbraw/zinc/48/01/61/416480161.db2.gz RJDNVWNJUQCGHF-KGLIPLIRSA-N 1 3 312.458 0.371 20 0 DCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)CC[NH3+])c1 ZINC000423254948 416483159 /nfs/dbraw/zinc/48/31/59/416483159.db2.gz ABFZGTXLYJJOBJ-UHFFFAOYSA-N 1 3 320.437 0.302 20 0 DCADHO C[C@H]1C[C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)CCN1C ZINC000361754762 416489583 /nfs/dbraw/zinc/48/95/83/416489583.db2.gz NZGZLNPSAWPJQF-FUHWJXTLSA-N 1 3 324.513 0.855 20 0 DCADHO COCCN1CCC([NH2+]CCCN2CCCN(C)CC2)CC1 ZINC000361184021 416424891 /nfs/dbraw/zinc/42/48/91/416424891.db2.gz JADABYQZFSLMNW-UHFFFAOYSA-N 1 3 312.502 0.714 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422419868 416429780 /nfs/dbraw/zinc/42/97/80/416429780.db2.gz AHUSFHWFLCBGPF-YUELXQCFSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422419868 416429781 /nfs/dbraw/zinc/42/97/81/416429781.db2.gz AHUSFHWFLCBGPF-YUELXQCFSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000361443512 416437601 /nfs/dbraw/zinc/43/76/01/416437601.db2.gz XLIICMAGBAVWCD-ZIAGYGMSSA-N 1 3 320.441 1.193 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000361443512 416437602 /nfs/dbraw/zinc/43/76/02/416437602.db2.gz XLIICMAGBAVWCD-ZIAGYGMSSA-N 1 3 320.441 1.193 20 0 DCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cnn(C)c1 ZINC000361496531 416442007 /nfs/dbraw/zinc/44/20/07/416442007.db2.gz LVHJIZOAZVBMSK-OAHLLOKOSA-N 1 3 309.458 0.461 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CCCN1C ZINC000361561794 416450351 /nfs/dbraw/zinc/45/03/51/416450351.db2.gz GMZAUYNKXHOOKD-DZGCQCFKSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CCCN1C ZINC000361561794 416450356 /nfs/dbraw/zinc/45/03/56/416450356.db2.gz GMZAUYNKXHOOKD-DZGCQCFKSA-N 1 3 312.458 0.567 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000422966419 416452302 /nfs/dbraw/zinc/45/23/02/416452302.db2.gz RKHZEKRBMFJDBL-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@H]1CN ZINC000422974301 416455315 /nfs/dbraw/zinc/45/53/15/416455315.db2.gz QUWGJZZBUXSPEL-URGYJCLVSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423524796 416521991 /nfs/dbraw/zinc/52/19/91/416521991.db2.gz ZZBCEKLAISWDKM-RRFJBIMHSA-N 1 3 324.469 0.371 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000423761711 416561921 /nfs/dbraw/zinc/56/19/21/416561921.db2.gz SBADAYLYWWLHIV-AWEZNQCLSA-N 1 3 313.442 0.609 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000423673529 416538341 /nfs/dbraw/zinc/53/83/41/416538341.db2.gz GVAFFTGAMQNNHZ-KGLIPLIRSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423694615 416542163 /nfs/dbraw/zinc/54/21/63/416542163.db2.gz KQKSFRZWPMWYSE-TZMCWYRMSA-N 1 3 310.442 0.267 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423717600 416546705 /nfs/dbraw/zinc/54/67/05/416546705.db2.gz BCTCLBDTJLJARE-SOUVJXGZSA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423717600 416546708 /nfs/dbraw/zinc/54/67/08/416546708.db2.gz BCTCLBDTJLJARE-SOUVJXGZSA-N 1 3 324.469 0.372 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN(C)C2(CO)CCOCC2)CC1 ZINC000362051013 416551593 /nfs/dbraw/zinc/55/15/93/416551593.db2.gz WZTARJUKKCUVSD-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000423737072 416553641 /nfs/dbraw/zinc/55/36/41/416553641.db2.gz DKUIOFZUPXTVOA-NEPJUHHUSA-N 1 3 322.375 0.505 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000423737072 416553644 /nfs/dbraw/zinc/55/36/44/416553644.db2.gz DKUIOFZUPXTVOA-NEPJUHHUSA-N 1 3 322.375 0.505 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423326713 416492880 /nfs/dbraw/zinc/49/28/80/416492880.db2.gz MVKLMPFNRWPEJZ-ZDUSSCGKSA-N 1 3 310.446 0.723 20 0 DCADHO CC[C@@H]1OCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000584039029 416494850 /nfs/dbraw/zinc/49/48/50/416494850.db2.gz YPTUOQPIJIOTJA-KGLIPLIRSA-N 1 3 300.447 0.689 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000364850517 416594720 /nfs/dbraw/zinc/59/47/20/416594720.db2.gz LWDQCCKMLIDJEM-JKSUJKDBSA-N 1 3 308.470 0.613 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CCS(=O)(=O)NC)[C@H](C)C1 ZINC000439076455 416607389 /nfs/dbraw/zinc/60/73/89/416607389.db2.gz JQVCVMNTEOIFNA-KGLIPLIRSA-N 1 3 321.487 0.262 20 0 DCADHO CC[C@H]1C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000541788402 416613410 /nfs/dbraw/zinc/61/34/10/416613410.db2.gz XHIFQRXFLODOQJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000539812429 416586013 /nfs/dbraw/zinc/58/60/13/416586013.db2.gz BZFNZGRIDUNNJR-OAGGEKHMSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000539812429 416586019 /nfs/dbraw/zinc/58/60/19/416586019.db2.gz BZFNZGRIDUNNJR-OAGGEKHMSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424138051 416616340 /nfs/dbraw/zinc/61/63/40/416616340.db2.gz SZLQBFJICLFUDL-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424140090 416616968 /nfs/dbraw/zinc/61/69/68/416616968.db2.gz BATOVDWGFWMXHV-CVEARBPZSA-N 1 3 321.421 0.607 20 0 DCADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217744 416627833 /nfs/dbraw/zinc/62/78/33/416627833.db2.gz NTXFETXNKAWIEI-MWDXBVQZSA-N 1 3 315.417 0.442 20 0 DCADHO CCCN(CCN(C)C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000514793386 416676816 /nfs/dbraw/zinc/67/68/16/416676816.db2.gz XCTTUKVXUCAMCT-UHFFFAOYSA-N 1 3 307.442 0.762 20 0 DCADHO CN(CC(=O)NC1CCN(C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442753086 416711901 /nfs/dbraw/zinc/71/19/01/416711901.db2.gz FYVQZDDDKFWCAK-FKEKPDDDSA-N 1 3 320.481 0.944 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000614853742 416714474 /nfs/dbraw/zinc/71/44/74/416714474.db2.gz HITXDQYUSOAQGZ-HZPDHXFCSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000614853742 416714479 /nfs/dbraw/zinc/71/44/79/416714479.db2.gz HITXDQYUSOAQGZ-HZPDHXFCSA-N 1 3 320.437 0.332 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](C2CC2)CC1 ZINC000369028293 416716286 /nfs/dbraw/zinc/71/62/86/416716286.db2.gz WBNFOEFYCYCQSL-CVEARBPZSA-N 1 3 322.453 0.776 20 0 DCADHO Cn1cc(N2CCC[C@@H](N3CCC[C@H](CC[NH3+])C3)C2=O)cn1 ZINC000443073179 416730661 /nfs/dbraw/zinc/73/06/61/416730661.db2.gz OWNORHVRLDGNRY-UKRRQHHQSA-N 1 3 305.426 0.976 20 0 DCADHO COc1ccccc1[C@H](N)CNS(=O)(=O)CCC[NH+](C)C ZINC000631900679 416785158 /nfs/dbraw/zinc/78/51/58/416785158.db2.gz GDXWGUVYGPCLMW-CYBMUJFWSA-N 1 3 315.439 0.566 20 0 DCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1ccc2c(c1)CNC2 ZINC000631935257 416812743 /nfs/dbraw/zinc/81/27/43/416812743.db2.gz SAIXERVRMDHBHU-UHFFFAOYSA-N 1 3 324.450 0.308 20 0 DCADHO CN(C)CCOc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000623757908 416889354 /nfs/dbraw/zinc/88/93/54/416889354.db2.gz HXMZMYISKXUAJP-MRXNPFEDSA-N 1 3 307.438 0.783 20 0 DCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1CC[NH2+]1 ZINC000444269506 416826336 /nfs/dbraw/zinc/82/63/36/416826336.db2.gz LJQMWUAUMWLGDK-OAHLLOKOSA-N 1 3 303.410 0.072 20 0 DCADHO C[C@@H]1C[C@H](Nc2nc(N)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000624025064 416939957 /nfs/dbraw/zinc/93/99/57/416939957.db2.gz KQTXCHSFOVGICU-DGCLKSJQSA-N 1 3 313.409 0.584 20 0 DCADHO C[C@@H]1C[C@H](Nc2nc(N)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000624025064 416939965 /nfs/dbraw/zinc/93/99/65/416939965.db2.gz KQTXCHSFOVGICU-DGCLKSJQSA-N 1 3 313.409 0.584 20 0 DCADHO COc1cccnc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519811039 416940915 /nfs/dbraw/zinc/94/09/15/416940915.db2.gz NAOJZIWWXKXPGK-UHFFFAOYSA-N 1 3 323.441 0.725 20 0 DCADHO C[C@@H]1COCCN1C1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000520248771 416953651 /nfs/dbraw/zinc/95/36/51/416953651.db2.gz KOMDSOXNOJJACV-PBHICJAKSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1COCCN1C1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000520248771 416953657 /nfs/dbraw/zinc/95/36/57/416953657.db2.gz KOMDSOXNOJJACV-PBHICJAKSA-N 1 3 311.470 0.627 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000642013783 417021033 /nfs/dbraw/zinc/02/10/33/417021033.db2.gz HBRKRFYFHBCPIE-KKUMJFAQSA-N 1 3 310.442 0.396 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000520833023 416980140 /nfs/dbraw/zinc/98/01/40/416980140.db2.gz DICVZGQGSUCNDC-SJORKVTESA-N 1 3 313.486 0.733 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000565479232 416984900 /nfs/dbraw/zinc/98/49/00/416984900.db2.gz QSAMLXKJSWSHCR-KGLIPLIRSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)C(C)(C)n1cncn1 ZINC000565711387 417006265 /nfs/dbraw/zinc/00/62/65/417006265.db2.gz YOWUGUMABHTDQU-NSHDSACASA-N 1 3 318.429 0.777 20 0 DCADHO C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1)C(C)(C)n1cncn1 ZINC000565711387 417006272 /nfs/dbraw/zinc/00/62/72/417006272.db2.gz YOWUGUMABHTDQU-NSHDSACASA-N 1 3 318.429 0.777 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCNCC2)CCCCCC1 ZINC000642220423 417034590 /nfs/dbraw/zinc/03/45/90/417034590.db2.gz BSXREEFAOHQNPF-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)[C@H](C)C1 ZINC000624335506 417009573 /nfs/dbraw/zinc/00/95/73/417009573.db2.gz UBULBFFZSBKUIJ-IKGGRYGDSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CC[C@H](O)C2)[C@H](C)C1 ZINC000624335506 417009582 /nfs/dbraw/zinc/00/95/82/417009582.db2.gz UBULBFFZSBKUIJ-IKGGRYGDSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CC[C@H](O)C2)[C@H](C)C1 ZINC000624335506 417009591 /nfs/dbraw/zinc/00/95/91/417009591.db2.gz UBULBFFZSBKUIJ-IKGGRYGDSA-N 1 3 313.486 0.780 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431028567 417100102 /nfs/dbraw/zinc/10/01/02/417100102.db2.gz SAZRIPAKFDRGJG-HNNXBMFYSA-N 1 3 319.453 0.565 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000642439559 417051412 /nfs/dbraw/zinc/05/14/12/417051412.db2.gz MAETUGNBTPXMOK-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430600502 417052012 /nfs/dbraw/zinc/05/20/12/417052012.db2.gz SAZFPVQOHQTCJX-KGLIPLIRSA-N 1 3 308.470 0.789 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642439398 417052201 /nfs/dbraw/zinc/05/22/01/417052201.db2.gz FECMFVXVOPMAIK-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000642439387 417052433 /nfs/dbraw/zinc/05/24/33/417052433.db2.gz DTOVUXKWSNACEE-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642440170 417054876 /nfs/dbraw/zinc/05/48/76/417054876.db2.gz XSMSABYKYFDXNH-RRFJBIMHSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000642439858 417055572 /nfs/dbraw/zinc/05/55/72/417055572.db2.gz PRBMOTLVCOEKGH-PBHICJAKSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000642439900 417056431 /nfs/dbraw/zinc/05/64/31/417056431.db2.gz RCUXFWRIDVKZCH-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]([NH3+])CC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000430708953 417064322 /nfs/dbraw/zinc/06/43/22/417064322.db2.gz LMTJOVPUEVOFLR-GFCCVEGCSA-N 1 3 306.410 0.332 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000642644492 417065825 /nfs/dbraw/zinc/06/58/25/417065825.db2.gz SWLFWOXZPJEFJG-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000568075185 417075288 /nfs/dbraw/zinc/07/52/88/417075288.db2.gz AHDBHZPLQKDZME-RHSMWYFYSA-N 1 3 322.453 0.141 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(N)CCCCC2)C1 ZINC000430892992 417076745 /nfs/dbraw/zinc/07/67/45/417076745.db2.gz CHQOLHGBMHORRF-ZDUSSCGKSA-N 1 3 310.442 0.352 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(N)CCCCC2)C1 ZINC000430892992 417076750 /nfs/dbraw/zinc/07/67/50/417076750.db2.gz CHQOLHGBMHORRF-ZDUSSCGKSA-N 1 3 310.442 0.352 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000430929539 417082486 /nfs/dbraw/zinc/08/24/86/417082486.db2.gz OZPMYBFYBNJORC-IUODEOHRSA-N 1 3 310.442 0.173 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000642731690 417083958 /nfs/dbraw/zinc/08/39/58/417083958.db2.gz KKFULKNQSKCZJV-RRFJBIMHSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642732152 417084027 /nfs/dbraw/zinc/08/40/27/417084027.db2.gz HROQBSIBDXTNNG-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642732149 417084798 /nfs/dbraw/zinc/08/47/98/417084798.db2.gz HROQBSIBDXTNNG-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000637374346 417084903 /nfs/dbraw/zinc/08/49/03/417084903.db2.gz WLHCEUPERRSICM-WBVHZDCISA-N 1 3 324.469 0.759 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000637374346 417084910 /nfs/dbraw/zinc/08/49/10/417084910.db2.gz WLHCEUPERRSICM-WBVHZDCISA-N 1 3 324.469 0.759 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642733350 417085025 /nfs/dbraw/zinc/08/50/25/417085025.db2.gz GEYQXSOSXJPTAC-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642733260 417085546 /nfs/dbraw/zinc/08/55/46/417085546.db2.gz AIXUNFSJQKKGSL-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642773335 417094027 /nfs/dbraw/zinc/09/40/27/417094027.db2.gz REBWCTAOWASDPA-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC(=O)Nc1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430636153 287349109 /nfs/dbraw/zinc/34/91/09/287349109.db2.gz IJSHVJVCWAFWGJ-OAHLLOKOSA-N 1 3 318.421 0.932 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903171 417115120 /nfs/dbraw/zinc/11/51/20/417115120.db2.gz DFOWNKIFJBISMT-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000642911562 417122359 /nfs/dbraw/zinc/12/23/59/417122359.db2.gz FXLOIRVDYZOADC-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO CCc1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000524998189 417122932 /nfs/dbraw/zinc/12/29/32/417122932.db2.gz AXPPEQQKFDELDZ-UHFFFAOYSA-N 1 3 311.430 0.872 20 0 DCADHO C[C@@H](NC1CC1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000449129156 417127407 /nfs/dbraw/zinc/12/74/07/417127407.db2.gz ZHSAFPJZNLRZEL-ZBFHGGJFSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H](NC1CC1)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000449129156 417127415 /nfs/dbraw/zinc/12/74/15/417127415.db2.gz ZHSAFPJZNLRZEL-ZBFHGGJFSA-N 1 3 308.470 0.755 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(N)CCCCC2)CC1 ZINC000430714451 287349591 /nfs/dbraw/zinc/34/95/91/287349591.db2.gz OMJSNGIAWRSOMO-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000642929846 417130151 /nfs/dbraw/zinc/13/01/51/417130151.db2.gz ULAINIUDCJXMRO-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642985837 417137914 /nfs/dbraw/zinc/13/79/14/417137914.db2.gz CHYHCQWEPSCNCE-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000637799272 417186197 /nfs/dbraw/zinc/18/61/97/417186197.db2.gz LNZMGJJZVNJJBQ-IRXDYDNUSA-N 1 3 318.465 0.904 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000568885967 417191601 /nfs/dbraw/zinc/19/16/01/417191601.db2.gz NTGMXAWOOIXTQM-GJZGRUSLSA-N 1 3 311.474 0.391 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000637811036 417191685 /nfs/dbraw/zinc/19/16/85/417191685.db2.gz MOZTXLTXHUMRCK-MRXNPFEDSA-N 1 3 304.438 0.656 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637829696 417200331 /nfs/dbraw/zinc/20/03/31/417200331.db2.gz TZKBPYBHMQECGJ-INIZCTEOSA-N 1 3 306.454 0.950 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000637848688 417205037 /nfs/dbraw/zinc/20/50/37/417205037.db2.gz UPBBNUMIXGKBFW-HUUCEWRRSA-N 1 3 315.458 0.557 20 0 DCADHO CN1CC[C@](O)(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000643481179 417222005 /nfs/dbraw/zinc/22/20/05/417222005.db2.gz DFKQADFBMOPRKH-NJAFHUGGSA-N 1 3 317.433 0.899 20 0 DCADHO CN1CC[C@](O)(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000643481178 417222157 /nfs/dbraw/zinc/22/21/57/417222157.db2.gz DFKQADFBMOPRKH-BPQIPLTHSA-N 1 3 317.433 0.899 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000569571302 417266521 /nfs/dbraw/zinc/26/65/21/417266521.db2.gz FRJLYSMIOAMVEA-INIZCTEOSA-N 1 3 305.422 0.958 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000569571302 417266527 /nfs/dbraw/zinc/26/65/27/417266527.db2.gz FRJLYSMIOAMVEA-INIZCTEOSA-N 1 3 305.422 0.958 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCN1C ZINC000433397892 417267006 /nfs/dbraw/zinc/26/70/06/417267006.db2.gz CHMSLWFAARRTGU-JHJVBQTASA-N 1 3 306.414 0.415 20 0 DCADHO [NH3+]CC1(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000627111597 417234067 /nfs/dbraw/zinc/23/40/67/417234067.db2.gz CVIICXPNFFSDAY-KGLIPLIRSA-N 1 3 310.442 0.810 20 0 DCADHO Cc1nccn1CCCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433164239 417236821 /nfs/dbraw/zinc/23/68/21/417236821.db2.gz ZSYHHIZUSKGNMQ-UHFFFAOYSA-N 1 3 307.442 0.901 20 0 DCADHO O=C(N[C@H]1CC[NH2+]C12CCC2)NC1CCN([C@H]2CCOC2)CC1 ZINC000627117055 417237946 /nfs/dbraw/zinc/23/79/46/417237946.db2.gz PTCJYAWIAXSJGG-GJZGRUSLSA-N 1 3 322.453 0.824 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627117873 417239151 /nfs/dbraw/zinc/23/91/51/417239151.db2.gz YEYKKFXGERWVAK-JKSUJKDBSA-N 1 3 324.469 0.879 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCOC2(CNC2)C1 ZINC000569334104 417239375 /nfs/dbraw/zinc/23/93/75/417239375.db2.gz ZEHAMCUKKJJGCC-ZDUSSCGKSA-N 1 3 308.426 0.387 20 0 DCADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCOC2(CNC2)C1 ZINC000569334104 417239380 /nfs/dbraw/zinc/23/93/80/417239380.db2.gz ZEHAMCUKKJJGCC-ZDUSSCGKSA-N 1 3 308.426 0.387 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627117888 417241321 /nfs/dbraw/zinc/24/13/21/417241321.db2.gz YHFFNKOVLBCANJ-BPLDGKMQSA-N 1 3 310.442 0.679 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643558705 417244423 /nfs/dbraw/zinc/24/44/23/417244423.db2.gz SPLHTFCDVVJZTO-YOEHRIQHSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCN2C)CCCO1 ZINC000433322638 417249428 /nfs/dbraw/zinc/24/94/28/417249428.db2.gz RNIMNRJBQQWHAC-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCN2C)CCCO1 ZINC000433322638 417249437 /nfs/dbraw/zinc/24/94/37/417249437.db2.gz RNIMNRJBQQWHAC-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCN(C4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000570390482 417349313 /nfs/dbraw/zinc/34/93/13/417349313.db2.gz CSZKSCBIIGKBNC-AEGPPILISA-N 1 3 318.425 0.093 20 0 DCADHO CCc1ccc([C@H](CNC(=O)CN2CC[NH2+]CC2)N(C)C)cc1 ZINC000638050510 417300936 /nfs/dbraw/zinc/30/09/36/417300936.db2.gz OWZGUALHSJRVSY-KRWDZBQOSA-N 1 3 318.465 0.873 20 0 DCADHO C[C@H]1CN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@H]1[NH3+] ZINC000632961922 417302826 /nfs/dbraw/zinc/30/28/26/417302826.db2.gz WQOPGSWYOSZSIM-SMDDNHRTSA-N 1 3 306.414 0.961 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621844606 417322097 /nfs/dbraw/zinc/32/20/97/417322097.db2.gz UINJHGQOFIISJL-RHSMWYFYSA-N 1 3 322.453 0.174 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000638095723 417322883 /nfs/dbraw/zinc/32/28/83/417322883.db2.gz CLJLEZQZIWZFSZ-SJORKVTESA-N 1 3 318.465 0.998 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638091528 417324439 /nfs/dbraw/zinc/32/44/39/417324439.db2.gz WZKSOPQYAXPFCU-XUWVNRHRSA-N 1 3 324.469 0.120 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638091528 417324447 /nfs/dbraw/zinc/32/44/47/417324447.db2.gz WZKSOPQYAXPFCU-XUWVNRHRSA-N 1 3 324.469 0.120 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000415090979 417327969 /nfs/dbraw/zinc/32/79/69/417327969.db2.gz YHODZBKDYFHCKD-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000570321535 417337047 /nfs/dbraw/zinc/33/70/47/417337047.db2.gz SFTCBOQMHXROKI-HRCADAONSA-N 1 3 303.406 0.741 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000627311763 417346782 /nfs/dbraw/zinc/34/67/82/417346782.db2.gz HCPSSEFISHYKFP-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000638264319 417394362 /nfs/dbraw/zinc/39/43/62/417394362.db2.gz GJFGNQMOXNYITR-CQSZACIVSA-N 1 3 315.458 0.476 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000638264507 417395079 /nfs/dbraw/zinc/39/50/79/417395079.db2.gz XQSFZAINQVQZFB-LSDHHAIUSA-N 1 3 319.453 0.906 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)NCCOCC[NH+](C)C)c1 ZINC000638292099 417410275 /nfs/dbraw/zinc/41/02/75/417410275.db2.gz UPZRWQLHIDVIQZ-HNNXBMFYSA-N 1 3 309.410 0.259 20 0 DCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)C2 ZINC000622027154 417370381 /nfs/dbraw/zinc/37/03/81/417370381.db2.gz YHJWLSWXOCDXJD-CPUCHLNUSA-N 1 3 320.437 0.023 20 0 DCADHO CC[C@@H]1CN(C(=O)CCN(C)CCOCCOC)CC[C@@H]1[NH3+] ZINC000638204973 417372763 /nfs/dbraw/zinc/37/27/63/417372763.db2.gz SJBUHRWOJYWPRF-CABCVRRESA-N 1 3 315.458 0.557 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000638198370 417373947 /nfs/dbraw/zinc/37/39/47/417373947.db2.gz WUFDTSDQOACPRO-IXDOHACOSA-N 1 3 316.449 0.799 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000638198370 417373954 /nfs/dbraw/zinc/37/39/54/417373954.db2.gz WUFDTSDQOACPRO-IXDOHACOSA-N 1 3 316.449 0.799 20 0 DCADHO CN1C(=O)CC[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000643802172 417375537 /nfs/dbraw/zinc/37/55/37/417375537.db2.gz VNQCDQRGGJOAPB-OAHLLOKOSA-N 1 3 319.405 0.864 20 0 DCADHO COCC1(CNC(=O)c2cnn(CCN(C)C)c2)CC[NH2+]CC1 ZINC000638225441 417381881 /nfs/dbraw/zinc/38/18/81/417381881.db2.gz WVOHZFKXBPMLDO-UHFFFAOYSA-N 1 3 323.441 0.191 20 0 DCADHO O=C1CCC[C@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC000634713469 417533547 /nfs/dbraw/zinc/53/35/47/417533547.db2.gz WHCSRFXJCSGACH-SJLPKXTDSA-N 1 3 317.433 0.882 20 0 DCADHO O=C1CCC[C@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000634713469 417533554 /nfs/dbraw/zinc/53/35/54/417533554.db2.gz WHCSRFXJCSGACH-SJLPKXTDSA-N 1 3 317.433 0.882 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CC1CC1)C(=O)NCCN1CCCCC1 ZINC000575801245 417550181 /nfs/dbraw/zinc/55/01/81/417550181.db2.gz NGGQUKYYEZDTIB-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(C(N)=O)nc2)CC1 ZINC000638758978 417550428 /nfs/dbraw/zinc/55/04/28/417550428.db2.gz HPBHUDGUJSMGOW-UHFFFAOYSA-N 1 3 306.410 0.505 20 0 DCADHO CNS(=O)(=O)CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000635008744 417555425 /nfs/dbraw/zinc/55/54/25/417555425.db2.gz UVXFRZHLEXZMED-HZSPNIEDSA-N 1 3 303.472 0.826 20 0 DCADHO NC(=O)CCNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000575117083 417511970 /nfs/dbraw/zinc/51/19/70/417511970.db2.gz ZIBQYDHDFQVSFB-OAHLLOKOSA-N 1 3 318.421 0.349 20 0 DCADHO NC(=O)CCNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000575117083 417511976 /nfs/dbraw/zinc/51/19/76/417511976.db2.gz ZIBQYDHDFQVSFB-OAHLLOKOSA-N 1 3 318.421 0.349 20 0 DCADHO CN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453675063 417526218 /nfs/dbraw/zinc/52/62/18/417526218.db2.gz OHVDNBUXHFVQTM-OAHLLOKOSA-N 1 3 318.421 0.852 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638966625 417594691 /nfs/dbraw/zinc/59/46/91/417594691.db2.gz HBTJAZKDGMLDPT-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000576256658 417594676 /nfs/dbraw/zinc/59/46/76/417594676.db2.gz NUVCRAIERFYYAT-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO COC[C@@]1(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC[NH2+]C1 ZINC000638978038 417594847 /nfs/dbraw/zinc/59/48/47/417594847.db2.gz RYZRZGADNLIJGY-MRXNPFEDSA-N 1 3 321.425 0.714 20 0 DCADHO CC[C@@]1(C(=O)Nc2cc(N3CCNCC3)ccn2)CCC[NH2+]1 ZINC000638984240 417596743 /nfs/dbraw/zinc/59/67/43/417596743.db2.gz LBQWMPPYGJJVPF-INIZCTEOSA-N 1 3 303.410 0.962 20 0 DCADHO CC(C)(O)C[NH+]1CCC(N[C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000639147598 417627993 /nfs/dbraw/zinc/62/79/93/417627993.db2.gz NEJZYIOQPFAAKD-LSDHHAIUSA-N 1 3 316.486 0.969 20 0 DCADHO CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576648756 417628662 /nfs/dbraw/zinc/62/86/62/417628662.db2.gz QJAUYUJODUOVJN-AEFFLSMTSA-N 1 3 317.433 0.691 20 0 DCADHO CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576648756 417628668 /nfs/dbraw/zinc/62/86/68/417628668.db2.gz QJAUYUJODUOVJN-AEFFLSMTSA-N 1 3 317.433 0.691 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(N)nc1N ZINC000639171784 417633581 /nfs/dbraw/zinc/63/35/81/417633581.db2.gz ZWTGQIRLTJGNRW-AWEZNQCLSA-N 1 3 321.473 0.150 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(N)nc1N ZINC000639171784 417633585 /nfs/dbraw/zinc/63/35/85/417633585.db2.gz ZWTGQIRLTJGNRW-AWEZNQCLSA-N 1 3 321.473 0.150 20 0 DCADHO C[C@H](Cc1cnccn1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000639204537 417637530 /nfs/dbraw/zinc/63/75/30/417637530.db2.gz BXCIOTBFIRPSQE-OAHLLOKOSA-N 1 3 319.453 0.989 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3CN(C)C[C@@H]32)CC1 ZINC000644735756 417651234 /nfs/dbraw/zinc/65/12/34/417651234.db2.gz FGRADFMAFSHFQK-ZBFHGGJFSA-N 1 3 308.470 0.611 20 0 DCADHO C[NH+](C)[C@@H](CC(=O)NCCN1CC[C@@H](O)C1)c1ccccc1 ZINC000629169701 417750045 /nfs/dbraw/zinc/75/00/45/417750045.db2.gz NNWOEFUGCSGAAN-CVEARBPZSA-N 1 3 305.422 0.862 20 0 DCADHO CCN1CCN(CCCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635562032 417704685 /nfs/dbraw/zinc/70/46/85/417704685.db2.gz UXLHKJFNCYWKOV-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635562032 417704691 /nfs/dbraw/zinc/70/46/91/417704691.db2.gz UXLHKJFNCYWKOV-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000580529130 417707177 /nfs/dbraw/zinc/70/71/77/417707177.db2.gz DNHXJGXMPDUZGF-FICVDOATSA-N 1 3 304.394 0.966 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000458242902 417729656 /nfs/dbraw/zinc/72/96/56/417729656.db2.gz RIJUMYWWABSQDH-CQSZACIVSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000458242902 417729661 /nfs/dbraw/zinc/72/96/61/417729661.db2.gz RIJUMYWWABSQDH-CQSZACIVSA-N 1 3 312.458 0.690 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639760174 417737173 /nfs/dbraw/zinc/73/71/73/417737173.db2.gz SXHJFJKQDKXYED-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635704690 417744143 /nfs/dbraw/zinc/74/41/43/417744143.db2.gz XFBPDEPNMNZHCQ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635704690 417744146 /nfs/dbraw/zinc/74/41/46/417744146.db2.gz XFBPDEPNMNZHCQ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000662618978 417823757 /nfs/dbraw/zinc/82/37/57/417823757.db2.gz HAOZTOBJWMIEDQ-CHWSQXEVSA-N 1 3 320.441 0.633 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000662633203 417827675 /nfs/dbraw/zinc/82/76/75/417827675.db2.gz XPIRAJJCZBAUKM-QGZVFWFLSA-N 1 3 318.465 0.873 20 0 DCADHO COCCNCC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662658670 417837345 /nfs/dbraw/zinc/83/73/45/417837345.db2.gz HNNIUJFVUWWHDZ-QGZVFWFLSA-N 1 3 319.449 0.998 20 0 DCADHO COCCNCC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662658670 417837350 /nfs/dbraw/zinc/83/73/50/417837350.db2.gz HNNIUJFVUWWHDZ-QGZVFWFLSA-N 1 3 319.449 0.998 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000662689297 417854631 /nfs/dbraw/zinc/85/46/31/417854631.db2.gz TVIVCIKSTMJFIW-KBUPBQIOSA-N 1 3 313.442 0.356 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000662693227 417855632 /nfs/dbraw/zinc/85/56/32/417855632.db2.gz HPFGHBKADBNSNR-OAHLLOKOSA-N 1 3 310.486 0.907 20 0 DCADHO O=C(C[C@@H]1CSCC[NH2+]1)NC1CCN([C@H]2CCOC2)CC1 ZINC000662707495 417864359 /nfs/dbraw/zinc/86/43/59/417864359.db2.gz GBAYNINERRYEQX-KGLIPLIRSA-N 1 3 313.467 0.451 20 0 DCADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC1C[NH2+]C1 ZINC000646071123 417867414 /nfs/dbraw/zinc/86/74/14/417867414.db2.gz NGGDDLJABORROQ-KRWDZBQOSA-N 1 3 314.389 0.402 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1=O ZINC000636098540 417869197 /nfs/dbraw/zinc/86/91/97/417869197.db2.gz VJQARSDJHVKWNO-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCCC3CC[NH2+]CC3)C[C@H]2N)cn1 ZINC000652323599 417883131 /nfs/dbraw/zinc/88/31/31/417883131.db2.gz LBSSIXBTMHYRQP-LSDHHAIUSA-N 1 3 320.441 0.246 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348613 417887506 /nfs/dbraw/zinc/88/75/06/417887506.db2.gz KKCXDOYDOBLITC-MJBXVCDLSA-N 1 3 319.471 0.144 20 0 DCADHO C[C@H](CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)CS(C)(=O)=O ZINC000652348989 417887716 /nfs/dbraw/zinc/88/77/16/417887716.db2.gz YCCWTNTXDIJLSV-BARDWOONSA-N 1 3 318.483 0.885 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002728 417845644 /nfs/dbraw/zinc/84/56/44/417845644.db2.gz APZFFRHWUZWXHF-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662859253 417926465 /nfs/dbraw/zinc/92/64/65/417926465.db2.gz MCKFWKHUDDKLSF-TWMKSMIVSA-N 1 3 315.417 0.620 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662858769 417928332 /nfs/dbraw/zinc/92/83/32/417928332.db2.gz KDIPYTSWXXGXJY-HZPDHXFCSA-N 1 3 318.421 0.133 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662859502 417928880 /nfs/dbraw/zinc/92/88/80/417928880.db2.gz NNEFOWCYDGFSSF-MWDXBVQZSA-N 1 3 315.417 0.335 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860958 417930268 /nfs/dbraw/zinc/93/02/68/417930268.db2.gz WFLIXHHIDBWSMN-HZPDHXFCSA-N 1 3 321.421 0.233 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652635288 417936040 /nfs/dbraw/zinc/93/60/40/417936040.db2.gz PXEQFTUMJYTVJU-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652699011 417948246 /nfs/dbraw/zinc/94/82/46/417948246.db2.gz OEQDUOTWGUFWLI-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000662915103 417948864 /nfs/dbraw/zinc/94/88/64/417948864.db2.gz JKHGGLFAOKUMLS-CHWSQXEVSA-N 1 3 317.380 0.601 20 0 DCADHO CN1C[C@H]2CCN(C(=O)c3ccnc(OCC[NH+](C)C)c3)[C@@H]2C1 ZINC000646923549 417953985 /nfs/dbraw/zinc/95/39/85/417953985.db2.gz XJBJYAQIAUUKCZ-HUUCEWRRSA-N 1 3 318.421 0.798 20 0 DCADHO CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000662925221 417954353 /nfs/dbraw/zinc/95/43/53/417954353.db2.gz FOCKUNGCTHQEPT-AWEZNQCLSA-N 1 3 310.442 0.271 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000662925202 417954443 /nfs/dbraw/zinc/95/44/43/417954443.db2.gz DYWITOJHMXMMEN-UUCFBXCCSA-N 1 3 320.437 0.023 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@H]1[NH3+] ZINC000652732921 417960095 /nfs/dbraw/zinc/96/00/95/417960095.db2.gz WPOBEGFGLAACEN-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000658396477 417960158 /nfs/dbraw/zinc/96/01/58/417960158.db2.gz ZKBHFNMKKIGRAO-UHFFFAOYSA-N 1 3 309.435 0.860 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc2c(c1)CNC2 ZINC000646990895 417966992 /nfs/dbraw/zinc/96/69/92/417966992.db2.gz GAKJQFDEFMQRTP-OAHLLOKOSA-N 1 3 316.405 0.164 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972870 417967066 /nfs/dbraw/zinc/96/70/66/417967066.db2.gz SIFQJRMFWBWCKS-INIZCTEOSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000647474518 418012461 /nfs/dbraw/zinc/01/24/61/418012461.db2.gz ZRLZMBMUFVPYEF-CYBMUJFWSA-N 1 3 320.441 0.663 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000647493291 418015152 /nfs/dbraw/zinc/01/51/52/418015152.db2.gz ZMQPCMZZKZWLPV-UHFFFAOYSA-N 1 3 318.400 0.743 20 0 DCADHO COCC[NH2+]C1CCN(Cc2nc3c(s2)CNCC3)CC1 ZINC000663496403 418027243 /nfs/dbraw/zinc/02/72/43/418027243.db2.gz FWKUNSUYPVTMBV-UHFFFAOYSA-N 1 3 310.467 0.989 20 0 DCADHO CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[C@H]1CCN(CC)C1 ZINC000658826614 418028571 /nfs/dbraw/zinc/02/85/71/418028571.db2.gz QYCACFHHRSDLQN-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[C@H]1CCN(CC)C1 ZINC000658826614 418028575 /nfs/dbraw/zinc/02/85/75/418028575.db2.gz QYCACFHHRSDLQN-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000653112928 418029710 /nfs/dbraw/zinc/02/97/10/418029710.db2.gz MZOFHWHKLHBJLD-OAHLLOKOSA-N 1 3 322.453 0.522 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)CC(F)(F)CN)C2)CC1 ZINC000653120537 418030697 /nfs/dbraw/zinc/03/06/97/418030697.db2.gz SRFRIUCMZUXNHE-NSHDSACASA-N 1 3 304.385 0.255 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)CC(F)(F)CN)C2)CC1 ZINC000653120537 418030700 /nfs/dbraw/zinc/03/07/00/418030700.db2.gz SRFRIUCMZUXNHE-NSHDSACASA-N 1 3 304.385 0.255 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)CC(F)(F)CN)C2)CC1 ZINC000653120537 418030702 /nfs/dbraw/zinc/03/07/02/418030702.db2.gz SRFRIUCMZUXNHE-NSHDSACASA-N 1 3 304.385 0.255 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653125378 418034168 /nfs/dbraw/zinc/03/41/68/418034168.db2.gz XEQHTSIFIYFFAY-ZDUSSCGKSA-N 1 3 320.441 0.051 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653124852 418034339 /nfs/dbraw/zinc/03/43/39/418034339.db2.gz IZNOHEPMMJDMSN-MRXNPFEDSA-N 1 3 310.486 0.910 20 0 DCADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653137984 418035574 /nfs/dbraw/zinc/03/55/74/418035574.db2.gz AIGNOMHZZAZYCS-ZBEGNZNMSA-N 1 3 305.353 0.646 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)C[C@H]2N)cn1 ZINC000653166588 418041146 /nfs/dbraw/zinc/04/11/46/418041146.db2.gz OMOACILBPVTEGW-GBJTYRQASA-N 1 3 303.410 0.204 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@@H](CN)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000653247927 418047368 /nfs/dbraw/zinc/04/73/68/418047368.db2.gz YFTXQFDYLNGKFO-VHDGCEQUSA-N 1 3 309.385 0.690 20 0 DCADHO C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCNCC3)cn2)CC[N@@H+]1C ZINC000647735509 418047747 /nfs/dbraw/zinc/04/77/47/418047747.db2.gz ORUYCVWTELSUQC-TZMCWYRMSA-N 1 3 303.410 0.770 20 0 DCADHO C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCNCC3)cn2)CC[N@H+]1C ZINC000647735509 418047750 /nfs/dbraw/zinc/04/77/50/418047750.db2.gz ORUYCVWTELSUQC-TZMCWYRMSA-N 1 3 303.410 0.770 20 0 DCADHO C[NH+]1CCC(O)(CNCc2ccnn2-c2ccccn2)CC1 ZINC000647185987 417996378 /nfs/dbraw/zinc/99/63/78/417996378.db2.gz ZCTCCSORGSLQIW-UHFFFAOYSA-N 1 3 301.394 0.814 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000659542656 418115430 /nfs/dbraw/zinc/11/54/30/418115430.db2.gz CANNMAAVYRHUGD-XYPYZODXSA-N 1 3 322.413 0.205 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCOC1 ZINC000663764528 418055311 /nfs/dbraw/zinc/05/53/11/418055311.db2.gz VBBWBVRWVAMDND-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCOC1 ZINC000663764528 418055315 /nfs/dbraw/zinc/05/53/15/418055315.db2.gz VBBWBVRWVAMDND-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO CN(CCC(=O)N1CCc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835226 418059820 /nfs/dbraw/zinc/05/98/20/418059820.db2.gz RPEAJOLNKPFGFR-UHFFFAOYSA-N 1 3 316.449 0.803 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000659104308 418060771 /nfs/dbraw/zinc/06/07/71/418060771.db2.gz ZRJFMKLANPUGMD-CQSZACIVSA-N 1 3 318.421 0.993 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CCOCC1 ZINC000663886407 418064882 /nfs/dbraw/zinc/06/48/82/418064882.db2.gz RDLFTTVVFVNFBM-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CCOCC1 ZINC000663886407 418064885 /nfs/dbraw/zinc/06/48/85/418064885.db2.gz RDLFTTVVFVNFBM-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO CNS(=O)(=O)C[C@@H]1CCCN1CCCC1CC[NH2+]CC1 ZINC000647890754 418070699 /nfs/dbraw/zinc/07/06/99/418070699.db2.gz ODNOBBFNFRDTAL-AWEZNQCLSA-N 1 3 303.472 0.780 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(CN2CCOCC2)CC1 ZINC000647958887 418080515 /nfs/dbraw/zinc/08/05/15/418080515.db2.gz KMPZWBUMURZYNR-KRWDZBQOSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(CN2CCOCC2)CC1 ZINC000647958887 418080518 /nfs/dbraw/zinc/08/05/18/418080518.db2.gz KMPZWBUMURZYNR-KRWDZBQOSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC2CCN(CCO)CC2)C1 ZINC000664066606 418082416 /nfs/dbraw/zinc/08/24/16/418082416.db2.gz NFWGZDVPIWPSFW-AWEZNQCLSA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC2CCN(CCO)CC2)C1 ZINC000664066606 418082420 /nfs/dbraw/zinc/08/24/20/418082420.db2.gz NFWGZDVPIWPSFW-AWEZNQCLSA-N 1 3 312.458 0.615 20 0 DCADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1CCOCC1 ZINC000647977582 418082753 /nfs/dbraw/zinc/08/27/53/418082753.db2.gz DUNVBJGCSLMLNB-GJZGRUSLSA-N 1 3 309.454 0.993 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659364568 418087246 /nfs/dbraw/zinc/08/72/46/418087246.db2.gz QENKPZNJHAJQPI-RBSFLKMASA-N 1 3 305.378 0.663 20 0 DCADHO CC[NH+](CC)[C@H](C)CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659433779 418096348 /nfs/dbraw/zinc/09/63/48/418096348.db2.gz GCKXMHAEBKZRNJ-SNVBAGLBSA-N 1 3 310.402 0.170 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659608342 418125605 /nfs/dbraw/zinc/12/56/05/418125605.db2.gz NBQAVFOXRPLTDP-IMJJTQAJSA-N 1 3 322.453 0.633 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659609141 418125658 /nfs/dbraw/zinc/12/56/58/418125658.db2.gz SYLTXPIXJKCMKO-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654350786 418134557 /nfs/dbraw/zinc/13/45/57/418134557.db2.gz QIZFARQFVZZTFO-LSDHHAIUSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000654408100 418141215 /nfs/dbraw/zinc/14/12/15/418141215.db2.gz VUJDALWLCRZLOY-OWCLPIDISA-N 1 3 324.469 0.567 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@H](CN)C1 ZINC000659681337 418145569 /nfs/dbraw/zinc/14/55/69/418145569.db2.gz FSQGFOXHERBKCQ-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C2CCC2)nn1 ZINC000648770563 418153921 /nfs/dbraw/zinc/15/39/21/418153921.db2.gz ONLDZJMINPLIPQ-UHFFFAOYSA-N 1 3 308.430 0.569 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000659705589 418155148 /nfs/dbraw/zinc/15/51/48/418155148.db2.gz ZGSCJDUNBFCHKE-ZIAGYGMSSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1=CC[N@H+](C)CC1 ZINC000654524028 418156490 /nfs/dbraw/zinc/15/64/90/418156490.db2.gz QFIDGNIEDPZVMA-VHDGCEQUSA-N 1 3 308.426 0.097 20 0 DCADHO C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000654524028 418156492 /nfs/dbraw/zinc/15/64/92/418156492.db2.gz QFIDGNIEDPZVMA-VHDGCEQUSA-N 1 3 308.426 0.097 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000659714637 418158626 /nfs/dbraw/zinc/15/86/26/418158626.db2.gz KSBVUAWWLGYHFW-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659718217 418160766 /nfs/dbraw/zinc/16/07/66/418160766.db2.gz MSGWASBUJAZGJB-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659726223 418164897 /nfs/dbraw/zinc/16/48/97/418164897.db2.gz BHOHMMWLVDAQAJ-UHFFFAOYSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659726223 418164898 /nfs/dbraw/zinc/16/48/98/418164898.db2.gz BHOHMMWLVDAQAJ-UHFFFAOYSA-N 1 3 310.442 0.030 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000659728574 418166299 /nfs/dbraw/zinc/16/62/99/418166299.db2.gz WJIDHRJOWOFUFP-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO CCn1ccnc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664997308 418166863 /nfs/dbraw/zinc/16/68/63/418166863.db2.gz NJWIEELPKQDLNS-AWEZNQCLSA-N 1 3 324.473 0.974 20 0 DCADHO CCn1ccnc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664997308 418166865 /nfs/dbraw/zinc/16/68/65/418166865.db2.gz NJWIEELPKQDLNS-AWEZNQCLSA-N 1 3 324.473 0.974 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737152 418170150 /nfs/dbraw/zinc/17/01/50/418170150.db2.gz RTSMOWOBGPGRMT-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000659740018 418171716 /nfs/dbraw/zinc/17/17/16/418171716.db2.gz CMYYEUIDTSIUCV-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO CO[C@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)[C@H]1CCOC1 ZINC000660139260 418237272 /nfs/dbraw/zinc/23/72/72/418237272.db2.gz QNNJVUIOMUAXHC-DOTOQJQBSA-N 1 3 313.486 0.996 20 0 DCADHO CO[C@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CCOC1 ZINC000660139260 418237273 /nfs/dbraw/zinc/23/72/73/418237273.db2.gz QNNJVUIOMUAXHC-DOTOQJQBSA-N 1 3 313.486 0.996 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)c2ccccc2O1 ZINC000649347057 418244802 /nfs/dbraw/zinc/24/48/02/418244802.db2.gz CUPXCLAQQVXZGO-ZIAGYGMSSA-N 1 3 319.405 0.721 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)c2ccccc2O1 ZINC000649347251 418245338 /nfs/dbraw/zinc/24/53/38/418245338.db2.gz MROSVBKFULUWOJ-ZDUSSCGKSA-N 1 3 319.405 0.721 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350499 418246598 /nfs/dbraw/zinc/24/65/98/418246598.db2.gz IZOOEYQVYDDPHP-OLZOCXBDSA-N 1 3 318.412 0.373 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)CN1CCN(C)CC1 ZINC000649351261 418246691 /nfs/dbraw/zinc/24/66/91/418246691.db2.gz BUYWZMPYRMUOAF-STQMWFEESA-N 1 3 318.412 0.231 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000660366233 418252277 /nfs/dbraw/zinc/25/22/77/418252277.db2.gz BVNUNOAFRDKEDF-HUUCEWRRSA-N 1 3 301.475 0.465 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000660366233 418252278 /nfs/dbraw/zinc/25/22/78/418252278.db2.gz BVNUNOAFRDKEDF-HUUCEWRRSA-N 1 3 301.475 0.465 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000654795613 418189599 /nfs/dbraw/zinc/18/95/99/418189599.db2.gz QPQMUYGOOGECPG-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000654795613 418189602 /nfs/dbraw/zinc/18/96/02/418189602.db2.gz QPQMUYGOOGECPG-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000654795611 418189873 /nfs/dbraw/zinc/18/98/73/418189873.db2.gz QPQMUYGOOGECPG-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000654795611 418189876 /nfs/dbraw/zinc/18/98/76/418189876.db2.gz QPQMUYGOOGECPG-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC(C)(C)[NH3+] ZINC000649318502 418235534 /nfs/dbraw/zinc/23/55/34/418235534.db2.gz QBFPBYSOICILMU-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656023931 418319643 /nfs/dbraw/zinc/31/96/43/418319643.db2.gz ITHYEBVONKATIO-KGLIPLIRSA-N 1 3 322.453 0.365 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656024098 418319858 /nfs/dbraw/zinc/31/98/58/418319858.db2.gz JGGBRPBDTGCQLX-CBBWQLFWSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022954 418319867 /nfs/dbraw/zinc/31/98/67/418319867.db2.gz PMIBXRPIKDONHS-QLFBSQMISA-N 1 3 324.469 0.609 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656026007 418320699 /nfs/dbraw/zinc/32/06/99/418320699.db2.gz ZIRUUSICYASOSK-CBBWQLFWSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656025881 418320843 /nfs/dbraw/zinc/32/08/43/418320843.db2.gz VLEBUENTYMRHIA-QPSCCSFWSA-N 1 3 322.453 0.234 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000650715224 418321680 /nfs/dbraw/zinc/32/16/80/418321680.db2.gz VGVOYRABARFPIM-DZGCQCFKSA-N 1 3 302.422 0.810 20 0 DCADHO CC(C(=O)N1CCC[C@@H]([NH3+])[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000656362703 418350616 /nfs/dbraw/zinc/35/06/16/418350616.db2.gz ZUKJFIXOPZJREX-NTZNESFSSA-N 1 3 318.439 0.307 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000651194377 418354040 /nfs/dbraw/zinc/35/40/40/418354040.db2.gz FCFGMJBNVDJJMC-HNNXBMFYSA-N 1 3 300.447 0.330 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000651194377 418354041 /nfs/dbraw/zinc/35/40/41/418354041.db2.gz FCFGMJBNVDJJMC-HNNXBMFYSA-N 1 3 300.447 0.330 20 0 DCADHO CC1(C)CNCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662423046 418408989 /nfs/dbraw/zinc/40/89/89/418408989.db2.gz TVIDQOVOPPDWHX-LBPRGKRZSA-N 1 3 306.414 0.417 20 0 DCADHO CN1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@H](CN)C1 ZINC000662429371 418409393 /nfs/dbraw/zinc/40/93/93/418409393.db2.gz OWDOMPUEFUMPDB-JKSUJKDBSA-N 1 3 316.449 0.780 20 0 DCADHO CCCCN(C)CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662456773 418410983 /nfs/dbraw/zinc/41/09/83/418410983.db2.gz CTUYINGJSPWYFW-UHFFFAOYSA-N 1 3 308.430 0.664 20 0 DCADHO C(C[N@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1)N1CCOCC1 ZINC000662314847 418400440 /nfs/dbraw/zinc/40/04/40/418400440.db2.gz IGLOMVGDDQKHHF-INIZCTEOSA-N 1 3 309.454 0.552 20 0 DCADHO C(C[N@@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1)N1CCOCC1 ZINC000662314847 418400442 /nfs/dbraw/zinc/40/04/42/418400442.db2.gz IGLOMVGDDQKHHF-INIZCTEOSA-N 1 3 309.454 0.552 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662384610 418405869 /nfs/dbraw/zinc/40/58/69/418405869.db2.gz ZMSFHNLNDCOMMB-CYBMUJFWSA-N 1 3 320.441 0.807 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCOC3)CC2)CC1 ZINC000179173299 261112072 /nfs/dbraw/zinc/11/20/72/261112072.db2.gz JJGCGAIZYNKFDA-CQSZACIVSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354662751 261253673 /nfs/dbraw/zinc/25/36/73/261253673.db2.gz MITYVZYCEXUUKF-JSGCOSHPSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000354681921 261257781 /nfs/dbraw/zinc/25/77/81/261257781.db2.gz URAWWIRYOCHXRO-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354693367 261260231 /nfs/dbraw/zinc/26/02/31/261260231.db2.gz YJDLLOWZOBTTLJ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354693367 261260233 /nfs/dbraw/zinc/26/02/33/261260233.db2.gz YJDLLOWZOBTTLJ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354692816 261260756 /nfs/dbraw/zinc/26/07/56/261260756.db2.gz NXDFGOWCXQNRTM-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCC1 ZINC000354801323 261273373 /nfs/dbraw/zinc/27/33/73/261273373.db2.gz YSEOVNGSPMXOBL-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000358533127 261680875 /nfs/dbraw/zinc/68/08/75/261680875.db2.gz UNTLSTWWNUGTTK-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000362765502 262070461 /nfs/dbraw/zinc/07/04/61/262070461.db2.gz KNQVHDLRUBHKCJ-WBVHZDCISA-N 1 3 322.497 0.670 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000362765502 262070463 /nfs/dbraw/zinc/07/04/63/262070463.db2.gz KNQVHDLRUBHKCJ-WBVHZDCISA-N 1 3 322.497 0.670 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000363001708 262093459 /nfs/dbraw/zinc/09/34/59/262093459.db2.gz PTAIFDJFIWWZQD-LTIDMASMSA-N 1 3 322.497 0.669 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000363001708 262093460 /nfs/dbraw/zinc/09/34/60/262093460.db2.gz PTAIFDJFIWWZQD-LTIDMASMSA-N 1 3 322.497 0.669 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000417076186 262244762 /nfs/dbraw/zinc/24/47/62/262244762.db2.gz VYNKHQDYDBFJIJ-HNNXBMFYSA-N 1 3 306.410 0.617 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000417076187 262245025 /nfs/dbraw/zinc/24/50/25/262245025.db2.gz VYNKHQDYDBFJIJ-OAHLLOKOSA-N 1 3 306.410 0.617 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417092406 262245622 /nfs/dbraw/zinc/24/56/22/262245622.db2.gz LQVQHLOIGOQSFE-LSDHHAIUSA-N 1 3 312.458 0.642 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417105718 262246057 /nfs/dbraw/zinc/24/60/57/262246057.db2.gz GVQFYDRYCMGUGO-LBPRGKRZSA-N 1 3 300.472 0.994 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000417546589 262255092 /nfs/dbraw/zinc/25/50/92/262255092.db2.gz MNYCBYDSAHDTJJ-GFCCVEGCSA-N 1 3 300.447 0.912 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000417749799 262260079 /nfs/dbraw/zinc/26/00/79/262260079.db2.gz JTZGHWIVTFMLPR-HUUCEWRRSA-N 1 3 313.490 0.687 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000417741657 262260311 /nfs/dbraw/zinc/26/03/11/262260311.db2.gz AMNMJPPGIGYKAP-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NCC(F)(F)CN)CC1 ZINC000417753090 262260982 /nfs/dbraw/zinc/26/09/82/262260982.db2.gz NYBADSZQHAJWEO-GFCCVEGCSA-N 1 3 321.416 0.153 20 0 DCADHO CCC[NH2+]CCNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000417758915 262261024 /nfs/dbraw/zinc/26/10/24/262261024.db2.gz VOAYIHJZOADJAP-HNNXBMFYSA-N 1 3 313.490 0.559 20 0 DCADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000418055314 262269049 /nfs/dbraw/zinc/26/90/49/262269049.db2.gz IFSQKCIYPIBJTC-MRXNPFEDSA-N 1 3 320.437 0.578 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000418096879 262269534 /nfs/dbraw/zinc/26/95/34/262269534.db2.gz JMQRCYVNBHYNGD-ZDUSSCGKSA-N 1 3 300.447 0.642 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418291523 262273732 /nfs/dbraw/zinc/27/37/32/262273732.db2.gz ADFPEJKENAFOAC-UHFFFAOYSA-N 1 3 300.447 0.868 20 0 DCADHO N[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418291710 262273793 /nfs/dbraw/zinc/27/37/93/262273793.db2.gz WSLUGRVJQOUZCF-HNNXBMFYSA-N 1 3 305.426 0.281 20 0 DCADHO C[NH2+]CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418315385 262274009 /nfs/dbraw/zinc/27/40/09/262274009.db2.gz HFWVFVMJRHXVGC-MRXNPFEDSA-N 1 3 306.410 0.142 20 0 DCADHO [NH3+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418310489 262274252 /nfs/dbraw/zinc/27/42/52/262274252.db2.gz YJCNOJCMYKZNGF-LSDHHAIUSA-N 1 3 306.410 0.127 20 0 DCADHO C[C@]1(CNC(=O)NC[C@H]2CCCN2CCCO)CCC[NH2+]C1 ZINC000418546215 262282254 /nfs/dbraw/zinc/28/22/54/262282254.db2.gz QKVJTQHMQFMYAX-ZBFHGGJFSA-N 1 3 312.458 0.522 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418599751 262283900 /nfs/dbraw/zinc/28/39/00/262283900.db2.gz JVSDYDKVSJSYDE-RBSFLKMASA-N 1 3 312.458 0.519 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418685573 262286495 /nfs/dbraw/zinc/28/64/95/262286495.db2.gz MXSYQMLFIIBMFY-ZMSDIMECSA-N 1 3 318.421 0.108 20 0 DCADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1CNCCO1 ZINC000418754510 262287191 /nfs/dbraw/zinc/28/71/91/262287191.db2.gz BCGLIBQDZKOSSY-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418792304 262289954 /nfs/dbraw/zinc/28/99/54/262289954.db2.gz OMPZUMLJVYOLHK-SOUVJXGZSA-N 1 3 312.458 0.506 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418792924 262290312 /nfs/dbraw/zinc/29/03/12/262290312.db2.gz PLLGSDWECRGFLW-AWEZNQCLSA-N 1 3 300.447 0.594 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418982861 262302234 /nfs/dbraw/zinc/30/22/34/262302234.db2.gz JAGNHFYBHXKGLF-UHFFFAOYSA-N 1 3 320.437 0.432 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000419017405 262305437 /nfs/dbraw/zinc/30/54/37/262305437.db2.gz ATPAULXHFPYQME-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419073785 262306588 /nfs/dbraw/zinc/30/65/88/262306588.db2.gz CQEDXTVXWITUCC-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419096870 262308717 /nfs/dbraw/zinc/30/87/17/262308717.db2.gz DENURNAFEWGUHO-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419123444 262310947 /nfs/dbraw/zinc/31/09/47/262310947.db2.gz PKNYURVFSQRDJF-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000419129059 262311337 /nfs/dbraw/zinc/31/13/37/262311337.db2.gz AHETVBCPEDSIKX-RRFJBIMHSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H]1CN ZINC000419135162 262313024 /nfs/dbraw/zinc/31/30/24/262313024.db2.gz KTAUEHXIBJURMO-KBXIAJHMSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419159808 262314694 /nfs/dbraw/zinc/31/46/94/262314694.db2.gz OPFFSONDUVKFLP-UONOGXRCSA-N 1 3 312.458 0.323 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419165887 262315738 /nfs/dbraw/zinc/31/57/38/262315738.db2.gz GULCJFMHNCWNRU-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419166945 262316070 /nfs/dbraw/zinc/31/60/70/262316070.db2.gz IEFDUYGDDNJGRG-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419170520 262316436 /nfs/dbraw/zinc/31/64/36/262316436.db2.gz NQKYRTZADVOYQT-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419175990 262317492 /nfs/dbraw/zinc/31/74/92/262317492.db2.gz YLRLJLZMCDACPG-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232014 262320858 /nfs/dbraw/zinc/32/08/58/262320858.db2.gz TYLVLGDKCFEIED-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)CCC1 ZINC000419235947 262321799 /nfs/dbraw/zinc/32/17/99/262321799.db2.gz KCWBNEQEJMRXII-AWEZNQCLSA-N 1 3 318.421 0.403 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419405982 262330724 /nfs/dbraw/zinc/33/07/24/262330724.db2.gz IHXJLYFXVNXFDJ-HNNXBMFYSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419428040 262333152 /nfs/dbraw/zinc/33/31/52/262333152.db2.gz SMEFXRZQEMLQNV-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C1CC1 ZINC000419508820 262335968 /nfs/dbraw/zinc/33/59/68/262335968.db2.gz DGZZPSONJVXIPD-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419596444 262340176 /nfs/dbraw/zinc/34/01/76/262340176.db2.gz YNBMSTYGJAOFTL-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419696313 262346647 /nfs/dbraw/zinc/34/66/47/262346647.db2.gz MDHPPGLHNBNGDG-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000420142351 262362941 /nfs/dbraw/zinc/36/29/41/262362941.db2.gz IOCMYHWFHOHBPP-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000420142351 262362943 /nfs/dbraw/zinc/36/29/43/262362943.db2.gz IOCMYHWFHOHBPP-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO [NH3+]CC1(O)CCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000420402009 262373297 /nfs/dbraw/zinc/37/32/97/262373297.db2.gz HRUAPEVUXZFOPP-UHFFFAOYSA-N 1 3 308.378 0.970 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422109474 262396246 /nfs/dbraw/zinc/39/62/46/262396246.db2.gz VPBBEMDRNQSZEG-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000422131746 262398096 /nfs/dbraw/zinc/39/80/96/262398096.db2.gz HMYUICRIFMEYIY-KGLIPLIRSA-N 1 3 310.442 0.092 20 0 DCADHO N[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCC1 ZINC000422542095 262417024 /nfs/dbraw/zinc/41/70/24/262417024.db2.gz POUJXSFLBQQFHN-GHMZBOCLSA-N 1 3 308.348 0.066 20 0 DCADHO CCCN(C(=O)C(=O)N1CCC[C@H](N(C)C)C1)C1CC[NH2+]CC1 ZINC000423699420 262454443 /nfs/dbraw/zinc/45/44/43/262454443.db2.gz PSVLRCSBYRYBKT-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)C[C@H]2N)cn1 ZINC000424242927 262487963 /nfs/dbraw/zinc/48/79/63/262487963.db2.gz RIARSGYYCPGMAW-SLZITWOASA-N 1 3 317.437 0.594 20 0 DCADHO CC(C)N1CCC[C@@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430659678 262620627 /nfs/dbraw/zinc/62/06/27/262620627.db2.gz BNHGREJVRQXSKE-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO NC[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000357274674 271047868 /nfs/dbraw/zinc/04/78/68/271047868.db2.gz YLVNRNRXFMHBCW-CVEARBPZSA-N 1 3 320.412 0.374 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000358662487 271064714 /nfs/dbraw/zinc/06/47/14/271064714.db2.gz MHKDCLLLGJUYNQ-QGZVFWFLSA-N 1 3 320.437 0.614 20 0 DCADHO CC[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N(C)C ZINC000359223403 271106736 /nfs/dbraw/zinc/10/67/36/271106736.db2.gz DEAPEPQUOZUYQU-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000360897688 271163119 /nfs/dbraw/zinc/16/31/19/271163119.db2.gz NNXQQBAHRFAMBD-PMPSAXMXSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418621312 271248735 /nfs/dbraw/zinc/24/87/35/271248735.db2.gz RYCWJMBBAMBCEY-YOEHRIQHSA-N 1 3 320.437 0.612 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)N(C)CC[NH3+])c1ccccc1 ZINC000418842154 271256813 /nfs/dbraw/zinc/25/68/13/271256813.db2.gz HJVYCQJDWKHTBN-OAHLLOKOSA-N 1 3 320.437 0.603 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000418843614 271258487 /nfs/dbraw/zinc/25/84/87/271258487.db2.gz SAGBZMVVKLPZRV-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000418909555 271261178 /nfs/dbraw/zinc/26/11/78/271261178.db2.gz JKROLPKAPARBPX-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000418990977 271264142 /nfs/dbraw/zinc/26/41/42/271264142.db2.gz WVLWTDQSWJVBHT-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000418990977 271264143 /nfs/dbraw/zinc/26/41/43/271264143.db2.gz WVLWTDQSWJVBHT-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419025105 271265871 /nfs/dbraw/zinc/26/58/71/271265871.db2.gz LSVKWJWBNGRZAT-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419031836 271267787 /nfs/dbraw/zinc/26/77/87/271267787.db2.gz VUNNFJXUOHYOIJ-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419033166 271269314 /nfs/dbraw/zinc/26/93/14/271269314.db2.gz XZLGIIYPXUCQCF-DNDYEEKYSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCC1 ZINC000419246777 271278579 /nfs/dbraw/zinc/27/85/79/271278579.db2.gz WNDDGFNFQBTEAH-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419402650 271288729 /nfs/dbraw/zinc/28/87/29/271288729.db2.gz CRHBJAQEUAZZLS-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@@H]1CCCCN1CC)[C@H]1CC[NH2+]C1 ZINC000419577337 271310330 /nfs/dbraw/zinc/31/03/30/271310330.db2.gz CWNFGNFWTLGHGF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419580386 271311880 /nfs/dbraw/zinc/31/18/80/271311880.db2.gz HAMDKBBWUXLEAT-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419653833 271316936 /nfs/dbraw/zinc/31/69/36/271316936.db2.gz RLJGNPOPOGKZGN-STQMWFEESA-N 1 3 320.437 0.695 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419704453 271323126 /nfs/dbraw/zinc/32/31/26/271323126.db2.gz XZKFNWKHOZDKLP-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419887576 271338201 /nfs/dbraw/zinc/33/82/01/271338201.db2.gz FGFLCDOKYKZCGU-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C)C1 ZINC000419903656 271341471 /nfs/dbraw/zinc/34/14/71/271341471.db2.gz MNFNHVWSZRMSPY-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000419951320 271349245 /nfs/dbraw/zinc/34/92/45/271349245.db2.gz NEXDAZJQMNFDEG-IHRRRGAJSA-N 1 3 312.458 0.195 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420168518 271361832 /nfs/dbraw/zinc/36/18/32/271361832.db2.gz QGGXDOJDECCHED-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCCNC2=O)CC[NH2+]CC1 ZINC000422835067 271388577 /nfs/dbraw/zinc/38/85/77/271388577.db2.gz YBBIDJBSNBYLND-QWHCGFSZSA-N 1 3 311.426 0.566 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000458446585 271958002 /nfs/dbraw/zinc/95/80/02/271958002.db2.gz VSXSSEBNJZUVTO-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489610037 272064723 /nfs/dbraw/zinc/06/47/23/272064723.db2.gz XPEMPMBPGRIHAL-KKUMJFAQSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)C/C=C/C(=O)N1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492090008 272115219 /nfs/dbraw/zinc/11/52/19/272115219.db2.gz QGJHZKDQFAXFCG-LDFAFZTOSA-N 1 3 322.453 0.283 20 0 DCADHO CN(C)C/C=C\C(=O)N1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000492090008 272115221 /nfs/dbraw/zinc/11/52/21/272115221.db2.gz QGJHZKDQFAXFCG-LDFAFZTOSA-N 1 3 322.453 0.283 20 0 DCADHO C[C@@H]1CCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496811780 272346030 /nfs/dbraw/zinc/34/60/30/272346030.db2.gz BZEUSEADWFGWAE-GFCCVEGCSA-N 1 3 313.446 0.967 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000517918822 272476227 /nfs/dbraw/zinc/47/62/27/272476227.db2.gz UOAJVYRDFBNUHF-AWEZNQCLSA-N 1 3 312.458 0.230 20 0 DCADHO C[C@H](C(N)=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371158261 278159202 /nfs/dbraw/zinc/15/92/02/278159202.db2.gz RKFQWKCWQCVQJZ-CQSZACIVSA-N 1 3 310.486 0.988 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262059346 288115650 /nfs/dbraw/zinc/11/56/50/288115650.db2.gz ARAUIBHKXLVINO-HIFRSBDPSA-N 1 3 317.437 0.561 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348020106 279307061 /nfs/dbraw/zinc/30/70/61/279307061.db2.gz QOFSDGDYRZOWGV-BFHYXJOUSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348020106 279307062 /nfs/dbraw/zinc/30/70/62/279307062.db2.gz QOFSDGDYRZOWGV-BFHYXJOUSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419986092 279324039 /nfs/dbraw/zinc/32/40/39/279324039.db2.gz XEPVYIGILHSNAQ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH3+])C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000430926784 279393724 /nfs/dbraw/zinc/39/37/24/279393724.db2.gz HHMAMFQEWNTAKM-LBPRGKRZSA-N 1 3 308.426 0.910 20 0 DCADHO C[C@@H]1CN(CCOCC[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O ZINC000186790608 288180639 /nfs/dbraw/zinc/18/06/39/288180639.db2.gz NCFOQBMYBYQRCR-WCVJEAGWSA-N 1 3 300.443 0.408 20 0 DCADHO C[C@@H]1CN(CCOCC[N@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O ZINC000186790608 288180642 /nfs/dbraw/zinc/18/06/42/288180642.db2.gz NCFOQBMYBYQRCR-WCVJEAGWSA-N 1 3 300.443 0.408 20 0 DCADHO C[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)N1CCCCCC1 ZINC000552310673 288272455 /nfs/dbraw/zinc/27/24/55/288272455.db2.gz GDHGMAGUSMNDML-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)NCC[NH+](C)C ZINC000560564294 288511666 /nfs/dbraw/zinc/51/16/66/288511666.db2.gz JYQDZBWTSMIWPR-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO C[C@H]1CC[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000563940909 288716524 /nfs/dbraw/zinc/71/65/24/288716524.db2.gz MTCXCZBCOBRDBT-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000410472560 289103904 /nfs/dbraw/zinc/10/39/04/289103904.db2.gz ROIFLCATXSRODW-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CCCC1 ZINC000414740529 289141210 /nfs/dbraw/zinc/14/12/10/289141210.db2.gz RFVIUBUCCJMBIC-OAHLLOKOSA-N 1 3 310.486 0.990 20 0 DCADHO CN(C)CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CCCC1 ZINC000414740529 289141212 /nfs/dbraw/zinc/14/12/12/289141212.db2.gz RFVIUBUCCJMBIC-OAHLLOKOSA-N 1 3 310.486 0.990 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1=O ZINC000365311903 289156283 /nfs/dbraw/zinc/15/62/83/289156283.db2.gz YHDQAFUHJRPYCU-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000410728135 289289970 /nfs/dbraw/zinc/28/99/70/289289970.db2.gz DHLCJBQNGMMVJS-KFWWJZLASA-N 1 3 322.453 0.234 20 0 DCADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332215148 295251930 /nfs/dbraw/zinc/25/19/30/295251930.db2.gz WGIGDXCWJPKSGZ-UONOGXRCSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000341600036 300235054 /nfs/dbraw/zinc/23/50/54/300235054.db2.gz AKZQBAVDLKLVEY-DZGCQCFKSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000580213798 333013501 /nfs/dbraw/zinc/01/35/01/333013501.db2.gz DYEVQSAVMOZEKA-HUUCEWRRSA-N 1 3 312.458 0.785 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(CC2CC2)CC1 ZINC000388403443 333296358 /nfs/dbraw/zinc/29/63/58/333296358.db2.gz VZNBOFUTXVKXOV-ROUUACIJSA-N 1 3 303.450 0.945 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000580332360 333309026 /nfs/dbraw/zinc/30/90/26/333309026.db2.gz PWZFBADHUVVXMI-ZFWWWQNUSA-N 1 3 305.426 0.879 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000580332757 333329505 /nfs/dbraw/zinc/32/95/05/333329505.db2.gz CARFKPNWQZRQNN-ZACQAIPSSA-N 1 3 310.486 0.465 20 0 DCADHO CC[C@H](C)N(C)CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000584585729 337369317 /nfs/dbraw/zinc/36/93/17/337369317.db2.gz UGYUIMAKAAJGSS-CAOSSQGBSA-N 1 3 301.475 0.776 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000577868029 341945105 /nfs/dbraw/zinc/94/51/05/341945105.db2.gz ONXYZVOGYPCPOI-SOUVJXGZSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCOC)C1)N(C)C ZINC001570291153 1161548099 /nfs/dbraw/zinc/54/80/99/1161548099.db2.gz LWFNEWBWBCIECY-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)o1)N(C)C ZINC000268749869 545988603 /nfs/dbraw/zinc/98/86/03/545988603.db2.gz HCAMLXDZELSMJM-RYUDHWBXSA-N 1 3 324.425 0.639 20 0 DCADHO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254632 546373061 /nfs/dbraw/zinc/37/30/61/546373061.db2.gz QYCHZMNYBIDQSI-LSDHHAIUSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254632 546373065 /nfs/dbraw/zinc/37/30/65/546373065.db2.gz QYCHZMNYBIDQSI-LSDHHAIUSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)CCN(C)C ZINC000665759332 546394670 /nfs/dbraw/zinc/39/46/70/546394670.db2.gz CONTUNUWLVKACH-AWEZNQCLSA-N 1 3 301.479 0.461 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000667336699 546590976 /nfs/dbraw/zinc/59/09/76/546590976.db2.gz MRUQJWKJPPJYEU-QGZVFWFLSA-N 1 3 324.469 0.474 20 0 DCADHO CN1CCC[C@@H](NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000667820430 546658921 /nfs/dbraw/zinc/65/89/21/546658921.db2.gz IVSVNOMNZVFEMW-GFCCVEGCSA-N 1 3 319.413 0.102 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000668361406 546742138 /nfs/dbraw/zinc/74/21/38/546742138.db2.gz AFJSPLKDEIXJNP-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000668794429 546847714 /nfs/dbraw/zinc/84/77/14/546847714.db2.gz HIBKLCIYTWGWFR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000668794429 546847716 /nfs/dbraw/zinc/84/77/16/546847716.db2.gz HIBKLCIYTWGWFR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000668794429 546847721 /nfs/dbraw/zinc/84/77/21/546847721.db2.gz HIBKLCIYTWGWFR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000669491521 546979394 /nfs/dbraw/zinc/97/93/94/546979394.db2.gz NOQSGDLBOYELCA-ZIAGYGMSSA-N 1 3 312.458 0.785 20 0 DCADHO CN(C)C1(CNC(=O)NC/C=C\C[NH3+])Cc2ccccc2C1 ZINC000669496453 546980244 /nfs/dbraw/zinc/98/02/44/546980244.db2.gz SDHJVBQPQVVKQR-WAYWQWQTSA-N 1 3 302.422 0.900 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519909 546983827 /nfs/dbraw/zinc/98/38/27/546983827.db2.gz WZOIYJFFRKEYJU-XHSDSOJGSA-N 1 3 309.454 0.993 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCCO1 ZINC000669570949 546992707 /nfs/dbraw/zinc/99/27/07/546992707.db2.gz YAJCONHWRLWMKD-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000673636932 547508076 /nfs/dbraw/zinc/50/80/76/547508076.db2.gz AGQHCJYFIBPTHD-RHSMWYFYSA-N 1 3 305.422 0.690 20 0 DCADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000677713445 547897675 /nfs/dbraw/zinc/89/76/75/547897675.db2.gz GCGAFAWHZMAERW-MRXNPFEDSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000677713445 547897679 /nfs/dbraw/zinc/89/76/79/547897679.db2.gz GCGAFAWHZMAERW-MRXNPFEDSA-N 1 3 322.497 0.955 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nnnn2C)[C@@H](C)C1 ZINC000678546254 547989254 /nfs/dbraw/zinc/98/92/54/547989254.db2.gz FWYMRBWXSBAYJO-UONOGXRCSA-N 1 3 310.446 0.479 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nnnn2C)[C@@H](C)C1 ZINC000678546254 547989256 /nfs/dbraw/zinc/98/92/56/547989256.db2.gz FWYMRBWXSBAYJO-UONOGXRCSA-N 1 3 310.446 0.479 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1=O ZINC000679064615 548023801 /nfs/dbraw/zinc/02/38/01/548023801.db2.gz KICPGYACWZNMHU-OEUWWYETSA-N 1 3 320.437 0.923 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000679064615 548023811 /nfs/dbraw/zinc/02/38/11/548023811.db2.gz KICPGYACWZNMHU-OEUWWYETSA-N 1 3 320.437 0.923 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000679064615 548023816 /nfs/dbraw/zinc/02/38/16/548023816.db2.gz KICPGYACWZNMHU-OEUWWYETSA-N 1 3 320.437 0.923 20 0 DCADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cn1 ZINC000979070852 660657499 /nfs/dbraw/zinc/65/74/99/660657499.db2.gz LQUFJCKOZHUJHG-FPCVCCKLSA-N 1 3 317.437 0.166 20 0 DCADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1 ZINC000979070852 660657500 /nfs/dbraw/zinc/65/75/00/660657500.db2.gz LQUFJCKOZHUJHG-FPCVCCKLSA-N 1 3 317.437 0.166 20 0 DCADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCN(CCN3CCOCC3)C2)C12CCC2 ZINC000925769652 660889261 /nfs/dbraw/zinc/88/92/61/660889261.db2.gz QEQDKCYNHHJJBH-ZACQAIPSSA-N 1 3 322.497 0.643 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCn2cccn2)CC[N@@H+]1C ZINC001027894709 660892499 /nfs/dbraw/zinc/89/24/99/660892499.db2.gz OXDJLVHZVVZBBU-OWCLPIDISA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2CCn2cccn2)CC[N@H+]1C ZINC001027894709 660892502 /nfs/dbraw/zinc/89/25/02/660892502.db2.gz OXDJLVHZVVZBBU-OWCLPIDISA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000925771455 660906287 /nfs/dbraw/zinc/90/62/87/660906287.db2.gz YRYZSOSCFVYPJA-BRWVUGGUSA-N 1 3 310.486 0.371 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000980477142 660947383 /nfs/dbraw/zinc/94/73/83/660947383.db2.gz BJAANHCVNLQZNN-HNNXBMFYSA-N 1 3 305.422 0.887 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000980477142 660947384 /nfs/dbraw/zinc/94/73/84/660947384.db2.gz BJAANHCVNLQZNN-HNNXBMFYSA-N 1 3 305.422 0.887 20 0 DCADHO C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000317863166 661139642 /nfs/dbraw/zinc/13/96/42/661139642.db2.gz JJUFZKPYSQZFJC-FXUDXRNXSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)CC[N@@H+]1C ZINC000981964934 661259191 /nfs/dbraw/zinc/25/91/91/661259191.db2.gz OXPTYEAPJGKTKP-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)CC[N@H+]1C ZINC000981964934 661259193 /nfs/dbraw/zinc/25/91/93/661259193.db2.gz OXPTYEAPJGKTKP-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998552138 665478060 /nfs/dbraw/zinc/47/80/60/665478060.db2.gz SPTCHNHEJPCRMY-GPANFISMSA-N 1 3 319.453 0.902 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998547995 665478557 /nfs/dbraw/zinc/47/85/57/665478557.db2.gz FDKZJTNXGCVIKN-YMAMQOFZSA-N 1 3 305.426 0.593 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC000970383758 657462570 /nfs/dbraw/zinc/46/25/70/657462570.db2.gz YGXYYWUFZOLURG-GXTWGEPZSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)CCN1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000926221960 657733013 /nfs/dbraw/zinc/73/30/13/657733013.db2.gz MTRHNCPRIDOHAK-UHFFFAOYSA-N 1 3 317.499 0.978 20 0 DCADHO COc1ccc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970713514 657817312 /nfs/dbraw/zinc/81/73/12/657817312.db2.gz ZKGCNFPDLMRFSW-LSDHHAIUSA-N 1 3 318.421 0.732 20 0 DCADHO COc1ccc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970713514 657817320 /nfs/dbraw/zinc/81/73/20/657817320.db2.gz ZKGCNFPDLMRFSW-LSDHHAIUSA-N 1 3 318.421 0.732 20 0 DCADHO C[C@H](O)CN1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970714540 657819912 /nfs/dbraw/zinc/81/99/12/657819912.db2.gz RCQZNGUIVZHZJN-KBPBESRZSA-N 1 3 323.481 0.926 20 0 DCADHO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000970796743 657913351 /nfs/dbraw/zinc/91/33/51/657913351.db2.gz UBDAUIRKAPEMBI-UKRRQHHQSA-N 1 3 305.422 0.933 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CCc2cnn(C)c2)C1 ZINC000970876723 658010176 /nfs/dbraw/zinc/01/01/76/658010176.db2.gz VOLZDADVHPXXEE-DZGCQCFKSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCc2cnn(C)c2)C1 ZINC000970876723 658010184 /nfs/dbraw/zinc/01/01/84/658010184.db2.gz VOLZDADVHPXXEE-DZGCQCFKSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC000969722881 658106688 /nfs/dbraw/zinc/10/66/88/658106688.db2.gz TYSMBDUKBYNVSZ-SOUVJXGZSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC000969722881 658106697 /nfs/dbraw/zinc/10/66/97/658106697.db2.gz TYSMBDUKBYNVSZ-SOUVJXGZSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001020590008 658168267 /nfs/dbraw/zinc/16/82/67/658168267.db2.gz JZHJKBFPXVJGDV-FVQBIDKESA-N 1 3 309.454 0.992 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC001020592270 658170205 /nfs/dbraw/zinc/17/02/05/658170205.db2.gz AIXXZYZNSHQHCL-MPESAESLSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001020592270 658170212 /nfs/dbraw/zinc/17/02/12/658170212.db2.gz AIXXZYZNSHQHCL-MPESAESLSA-N 1 3 317.437 0.720 20 0 DCADHO CC(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972674305 658222204 /nfs/dbraw/zinc/22/22/04/658222204.db2.gz NUFGLIFDKMDDFR-RDJZCZTQSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972674305 658222210 /nfs/dbraw/zinc/22/22/10/658222210.db2.gz NUFGLIFDKMDDFR-RDJZCZTQSA-N 1 3 309.454 0.897 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC000969954444 658288878 /nfs/dbraw/zinc/28/88/78/658288878.db2.gz DDKSMRYIYFXMQV-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001022713952 658362272 /nfs/dbraw/zinc/36/22/72/658362272.db2.gz NUUYMWKDFJIVPY-KFWWJZLASA-N 1 3 319.453 0.541 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001022713997 658363080 /nfs/dbraw/zinc/36/30/80/658363080.db2.gz ONOKOCZKYCWCMI-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022715791 658365893 /nfs/dbraw/zinc/36/58/93/658365893.db2.gz MTCOQWLNNZQLAD-WQVCFCJDSA-N 1 3 319.453 0.807 20 0 DCADHO CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001024070605 658419983 /nfs/dbraw/zinc/41/99/83/658419983.db2.gz UFFGZTDPXJRPJS-BOLLXYOYSA-N 1 3 307.438 0.698 20 0 DCADHO Cn1nccc1CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970103593 658466664 /nfs/dbraw/zinc/46/66/64/658466664.db2.gz QBHGVRVYHHJUIO-GFCCVEGCSA-N 1 3 302.382 0.119 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC000999190351 665596540 /nfs/dbraw/zinc/59/65/40/665596540.db2.gz QHARJOSKYBNHNS-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC000999190351 665596542 /nfs/dbraw/zinc/59/65/42/665596542.db2.gz QHARJOSKYBNHNS-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCCO)C12CCC[NH+]1CCC2 ZINC001024531378 658690751 /nfs/dbraw/zinc/69/07/51/658690751.db2.gz QHCNNQRYQPRXCP-OAHLLOKOSA-N 1 3 309.454 0.968 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001021093104 658752077 /nfs/dbraw/zinc/75/20/77/658752077.db2.gz ZWZHKPVRFZUGCX-AAVRWANBSA-N 1 3 310.442 0.362 20 0 DCADHO COCCN1CCC(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891440271 658769207 /nfs/dbraw/zinc/76/92/07/658769207.db2.gz VZURTXUSKLWYPJ-ZBFHGGJFSA-N 1 3 310.442 0.681 20 0 DCADHO CC1(C)CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[NH2+]C1 ZINC000891514199 658898798 /nfs/dbraw/zinc/89/87/98/658898798.db2.gz NXAHRPWRYAPFIO-RBSFLKMASA-N 1 3 324.469 0.927 20 0 DCADHO CC1(C)CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)[NH2+]C1 ZINC000891514196 658899407 /nfs/dbraw/zinc/89/94/07/658899407.db2.gz NXAHRPWRYAPFIO-ILXRZTDVSA-N 1 3 324.469 0.927 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1)C1CC1 ZINC000999372948 665635064 /nfs/dbraw/zinc/63/50/64/665635064.db2.gz PQRQRJNYTJIZPG-GOEBONIOSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001027216982 659088256 /nfs/dbraw/zinc/08/82/56/659088256.db2.gz CRQFWBQTRVPVFZ-HZPDHXFCSA-N 1 3 309.454 0.947 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217897 659089578 /nfs/dbraw/zinc/08/95/78/659089578.db2.gz RSIJMAQWDULGKY-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)CN2CCCC2)C1=O ZINC001025160342 659096786 /nfs/dbraw/zinc/09/67/86/659096786.db2.gz HVJQSKHKLCNHIB-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)C1 ZINC000973104814 659103768 /nfs/dbraw/zinc/10/37/68/659103768.db2.gz RAABXSWZSOFPMW-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)C1 ZINC000973104814 659103769 /nfs/dbraw/zinc/10/37/69/659103769.db2.gz RAABXSWZSOFPMW-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001018628100 659237133 /nfs/dbraw/zinc/23/71/33/659237133.db2.gz JTMHYDSKSPPOBR-GJZGRUSLSA-N 1 3 318.421 0.875 20 0 DCADHO O=C(NCC1CN(CCCF)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856744 665658420 /nfs/dbraw/zinc/65/84/20/665658420.db2.gz HHYDPKGJCJQXFI-CXOJTPOUSA-N 1 3 311.401 0.257 20 0 DCADHO O=C(NCC1CN(CCCF)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856744 665658421 /nfs/dbraw/zinc/65/84/21/665658421.db2.gz HHYDPKGJCJQXFI-CXOJTPOUSA-N 1 3 311.401 0.257 20 0 DCADHO CC(C)=CCN1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856987 665660014 /nfs/dbraw/zinc/66/00/14/665660014.db2.gz OFGZKDDLYKYRMA-BFHRDPOASA-N 1 3 319.449 0.864 20 0 DCADHO CC(C)=CCN1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856987 665660017 /nfs/dbraw/zinc/66/00/17/665660017.db2.gz OFGZKDDLYKYRMA-BFHRDPOASA-N 1 3 319.449 0.864 20 0 DCADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857426 665661437 /nfs/dbraw/zinc/66/14/37/665661437.db2.gz UXWARCCUAONVHD-GEMJLEDKSA-N 1 3 321.465 0.944 20 0 DCADHO COCCN1CC[C@H](N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924601112 659409831 /nfs/dbraw/zinc/40/98/31/659409831.db2.gz VBCMMTHTYURHSJ-KBPBESRZSA-N 1 3 324.425 0.113 20 0 DCADHO OCc1cn(CCC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)nn1 ZINC000925669754 659423082 /nfs/dbraw/zinc/42/30/82/659423082.db2.gz XGKIXBQWTJQUIX-HOTGVXAUSA-N 1 3 307.442 0.918 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC000892817819 659470345 /nfs/dbraw/zinc/47/03/45/659470345.db2.gz FWJQPUYGCCLDRW-BARDWOONSA-N 1 3 308.426 0.053 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC000892817819 659470347 /nfs/dbraw/zinc/47/03/47/659470347.db2.gz FWJQPUYGCCLDRW-BARDWOONSA-N 1 3 308.426 0.053 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]21 ZINC001025808956 659568338 /nfs/dbraw/zinc/56/83/38/659568338.db2.gz CUFZNKIHXKOUJB-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]21 ZINC001025808956 659568341 /nfs/dbraw/zinc/56/83/41/659568341.db2.gz CUFZNKIHXKOUJB-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001026890368 659625086 /nfs/dbraw/zinc/62/50/86/659625086.db2.gz JMNDBRLYXRCOSF-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001026891316 659626135 /nfs/dbraw/zinc/62/61/35/659626135.db2.gz RNGSXQCIZSXVCY-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001026886518 659627213 /nfs/dbraw/zinc/62/72/13/659627213.db2.gz ZHAXFYOYVKEREP-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001026887182 659627620 /nfs/dbraw/zinc/62/76/20/659627620.db2.gz MAQFXOMTEXKJBO-SWLSCSKDSA-N 1 3 320.441 0.093 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1)N(C)C ZINC001026917257 659641253 /nfs/dbraw/zinc/64/12/53/659641253.db2.gz YKPRCEPQKIXDQU-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027092050 659799373 /nfs/dbraw/zinc/79/93/73/659799373.db2.gz ZPWOMMJVSUNTIJ-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000999872042 665705028 /nfs/dbraw/zinc/70/50/28/665705028.db2.gz QBBPORBFAVHCMJ-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000999872042 665705030 /nfs/dbraw/zinc/70/50/30/665705030.db2.gz QBBPORBFAVHCMJ-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000999872041 665705082 /nfs/dbraw/zinc/70/50/82/665705082.db2.gz QBBPORBFAVHCMJ-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000999872041 665705085 /nfs/dbraw/zinc/70/50/85/665705085.db2.gz QBBPORBFAVHCMJ-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295899 661343156 /nfs/dbraw/zinc/34/31/56/661343156.db2.gz FPSQOBVMHONXGS-UWIFEVILSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295899 661343158 /nfs/dbraw/zinc/34/31/58/661343158.db2.gz FPSQOBVMHONXGS-UWIFEVILSA-N 1 3 323.481 0.878 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001028933872 661896042 /nfs/dbraw/zinc/89/60/42/661896042.db2.gz UUCHEGRTCDURBY-AWEZNQCLSA-N 1 3 317.437 0.454 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028985564 661919530 /nfs/dbraw/zinc/91/95/30/661919530.db2.gz MLYBVKKYHFWWNV-GJZGRUSLSA-N 1 3 319.453 0.618 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985564 661919532 /nfs/dbraw/zinc/91/95/32/661919532.db2.gz MLYBVKKYHFWWNV-GJZGRUSLSA-N 1 3 319.453 0.618 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000390531 665833934 /nfs/dbraw/zinc/83/39/34/665833934.db2.gz QJEQSHMAQUQIQE-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001000378567 665831883 /nfs/dbraw/zinc/83/18/83/665831883.db2.gz OFVZUEYEGAISJN-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC12CC(O)C2 ZINC000895665286 662204852 /nfs/dbraw/zinc/20/48/52/662204852.db2.gz AZTHHWIZESIZFZ-REWIBIJMSA-N 1 3 312.458 0.471 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC12CC(O)C2 ZINC000895665286 662204853 /nfs/dbraw/zinc/20/48/53/662204853.db2.gz AZTHHWIZESIZFZ-REWIBIJMSA-N 1 3 312.458 0.471 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC000984801112 662316281 /nfs/dbraw/zinc/31/62/81/662316281.db2.gz ZDNOLDGQFUISNW-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000984807662 662317442 /nfs/dbraw/zinc/31/74/42/662317442.db2.gz IYVZTRJXDNUWTC-MGPQQGTHSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC000985118785 662369525 /nfs/dbraw/zinc/36/95/25/662369525.db2.gz DNVFWRXIGRKJNA-AJNGGQMLSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@H](NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC000985118785 662369526 /nfs/dbraw/zinc/36/95/26/662369526.db2.gz DNVFWRXIGRKJNA-AJNGGQMLSA-N 1 3 317.437 0.974 20 0 DCADHO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985332712 662412274 /nfs/dbraw/zinc/41/22/74/662412274.db2.gz RWQAORMOTMQRCZ-CABCVRRESA-N 1 3 322.453 0.234 20 0 DCADHO CN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985332712 662412275 /nfs/dbraw/zinc/41/22/75/662412275.db2.gz RWQAORMOTMQRCZ-CABCVRRESA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000985500149 662469175 /nfs/dbraw/zinc/46/91/75/662469175.db2.gz AMUWPYNPXHSDJZ-GJZGRUSLSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000985500149 662469177 /nfs/dbraw/zinc/46/91/77/662469177.db2.gz AMUWPYNPXHSDJZ-GJZGRUSLSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000985655137 662496786 /nfs/dbraw/zinc/49/67/86/662496786.db2.gz SCEIPWGYXCLPGZ-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000985655137 662496788 /nfs/dbraw/zinc/49/67/88/662496788.db2.gz SCEIPWGYXCLPGZ-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO CN(CCF)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985721000 662505501 /nfs/dbraw/zinc/50/55/01/662505501.db2.gz QJABWGCSPNFZFN-UHFFFAOYSA-N 1 3 315.433 0.990 20 0 DCADHO CN(Cc1cncn1C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985787470 662512525 /nfs/dbraw/zinc/51/25/25/662512525.db2.gz MBEUIPWLPRIWQE-AWEZNQCLSA-N 1 3 319.453 0.795 20 0 DCADHO CN(Cc1cncn1C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985787470 662512526 /nfs/dbraw/zinc/51/25/26/662512526.db2.gz MBEUIPWLPRIWQE-AWEZNQCLSA-N 1 3 319.453 0.795 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029947085 662597462 /nfs/dbraw/zinc/59/74/62/662597462.db2.gz HVEWXGCTWAZSOG-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029947085 662597464 /nfs/dbraw/zinc/59/74/64/662597464.db2.gz HVEWXGCTWAZSOG-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2CCC[C@@H](NCCF)C2)CC1 ZINC001000572911 665884934 /nfs/dbraw/zinc/88/49/34/665884934.db2.gz PCWAYKWEQNXEDR-CYBMUJFWSA-N 1 3 301.406 0.647 20 0 DCADHO C[C@H]1[C@H](NCCF)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987278137 662665525 /nfs/dbraw/zinc/66/55/25/662665525.db2.gz IGOLODLVGRANQS-GXTWGEPZSA-N 1 3 301.406 0.646 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000897460760 662762484 /nfs/dbraw/zinc/76/24/84/662762484.db2.gz VYZRKQIASRWEGR-GJZGRUSLSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000897460760 662762487 /nfs/dbraw/zinc/76/24/87/662762487.db2.gz VYZRKQIASRWEGR-GJZGRUSLSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989389792 662908758 /nfs/dbraw/zinc/90/87/58/662908758.db2.gz LTMFILPYNJYWKW-BBRMVZONSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCN1C ZINC000925322493 662959255 /nfs/dbraw/zinc/95/92/55/662959255.db2.gz FZHDPKGDLLTWES-DZGCQCFKSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCN1C ZINC000925322493 662959256 /nfs/dbraw/zinc/95/92/56/662959256.db2.gz FZHDPKGDLLTWES-DZGCQCFKSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCN1C ZINC000925322680 662960950 /nfs/dbraw/zinc/96/09/50/662960950.db2.gz ALLFJXAFSRNGFD-ZFWWWQNUSA-N 1 3 312.458 0.831 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001000682115 665915732 /nfs/dbraw/zinc/91/57/32/665915732.db2.gz IBGUIWCQPIOWIE-HOTGVXAUSA-N 1 3 307.438 0.601 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001000682115 665915733 /nfs/dbraw/zinc/91/57/33/665915733.db2.gz IBGUIWCQPIOWIE-HOTGVXAUSA-N 1 3 307.438 0.601 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCc2ccnn2C)CN1C(=O)CN1CCCC1 ZINC000989799021 662980431 /nfs/dbraw/zinc/98/04/31/662980431.db2.gz ITPWOZSPAVHWAZ-GJZGRUSLSA-N 1 3 319.453 0.637 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001000711617 665920223 /nfs/dbraw/zinc/92/02/23/665920223.db2.gz OYOMPJOFTKDOQM-HNNXBMFYSA-N 1 3 317.437 0.597 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001000711618 665920251 /nfs/dbraw/zinc/92/02/51/665920251.db2.gz OYOMPJOFTKDOQM-OAHLLOKOSA-N 1 3 317.437 0.597 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900307552 663233935 /nfs/dbraw/zinc/23/39/35/663233935.db2.gz MBRPQROIABLJFC-ZDUSSCGKSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900307552 663233936 /nfs/dbraw/zinc/23/39/36/663233936.db2.gz MBRPQROIABLJFC-ZDUSSCGKSA-N 1 3 305.426 0.659 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCO[C@]23CCOC3)C1 ZINC000903090985 663446890 /nfs/dbraw/zinc/44/68/90/663446890.db2.gz KQJBCEUEHXZTIC-FMKPAKJESA-N 1 3 311.426 0.111 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCO[C@]23CCOC3)C1 ZINC000903090985 663446892 /nfs/dbraw/zinc/44/68/92/663446892.db2.gz KQJBCEUEHXZTIC-FMKPAKJESA-N 1 3 311.426 0.111 20 0 DCADHO CN(CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CCOCCO ZINC000903221902 663449886 /nfs/dbraw/zinc/44/98/86/663449886.db2.gz VLTMHHAUMVAPEE-ZXFUBFMLSA-N 1 3 311.470 0.675 20 0 DCADHO CN(CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CCOCCO ZINC000903221902 663449887 /nfs/dbraw/zinc/44/98/87/663449887.db2.gz VLTMHHAUMVAPEE-ZXFUBFMLSA-N 1 3 311.470 0.675 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903731475 663475994 /nfs/dbraw/zinc/47/59/94/663475994.db2.gz HGHPJQPRSMPDLW-CYBMUJFWSA-N 1 3 310.442 0.125 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903770514 663481664 /nfs/dbraw/zinc/48/16/64/663481664.db2.gz FXXDKUMFMCYYJI-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO COCCOC[C@H](O)C[N@@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903811074 663486981 /nfs/dbraw/zinc/48/69/81/663486981.db2.gz JITPVVDDSYXZPE-CABCVRRESA-N 1 3 300.443 0.994 20 0 DCADHO COCCOC[C@H](O)C[N@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903811074 663486982 /nfs/dbraw/zinc/48/69/82/663486982.db2.gz JITPVVDDSYXZPE-CABCVRRESA-N 1 3 300.443 0.994 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCNCCC12CCOCC2 ZINC000903820121 663487288 /nfs/dbraw/zinc/48/72/88/663487288.db2.gz URLSTQUGRJFMGD-LSDHHAIUSA-N 1 3 316.442 0.243 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CCNCCC12CCOCC2 ZINC000903820121 663487289 /nfs/dbraw/zinc/48/72/89/663487289.db2.gz URLSTQUGRJFMGD-LSDHHAIUSA-N 1 3 316.442 0.243 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](CCC(N)=O)C2)cnn1C ZINC000903888446 663489981 /nfs/dbraw/zinc/48/99/81/663489981.db2.gz CGECFPMOYZRMKJ-CABCVRRESA-N 1 3 321.469 0.823 20 0 DCADHO CO[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000903939522 663495570 /nfs/dbraw/zinc/49/55/70/663495570.db2.gz IGNCMQHDDNLKJT-WCQYABFASA-N 1 3 323.359 0.837 20 0 DCADHO CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000903939522 663495572 /nfs/dbraw/zinc/49/55/72/663495572.db2.gz IGNCMQHDDNLKJT-WCQYABFASA-N 1 3 323.359 0.837 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN[C@H](C)[C@@H](C)N2CCOCC2)cnn1C ZINC000903922766 663495977 /nfs/dbraw/zinc/49/59/77/663495977.db2.gz DNTGFNAFEKBJJB-IIAWOOMASA-N 1 3 323.485 0.545 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000904981857 663521628 /nfs/dbraw/zinc/52/16/28/663521628.db2.gz PSHWRGPMDYTUMM-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)C1(O)CCC1 ZINC000905072530 663530524 /nfs/dbraw/zinc/53/05/24/663530524.db2.gz ARLLPQIVRDHBBA-MRXNPFEDSA-N 1 3 308.422 0.993 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000906709838 663634108 /nfs/dbraw/zinc/63/41/08/663634108.db2.gz XLHBAZUCYSZMLP-CQSZACIVSA-N 1 3 318.421 0.801 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)N(C)C ZINC001011666391 663841114 /nfs/dbraw/zinc/84/11/14/663841114.db2.gz OBAVMRAPUUVFTK-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)N(C)C ZINC001011666391 663841116 /nfs/dbraw/zinc/84/11/16/663841116.db2.gz OBAVMRAPUUVFTK-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCCCC1 ZINC000910956121 663958148 /nfs/dbraw/zinc/95/81/48/663958148.db2.gz GJDLGJWOHMTFEX-JOCQHMNTSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911027533 663968960 /nfs/dbraw/zinc/96/89/60/663968960.db2.gz DAFZQYCHCWZZSL-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911027534 663968982 /nfs/dbraw/zinc/96/89/82/663968982.db2.gz DAFZQYCHCWZZSL-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)N(C)Cc1ccccc1 ZINC000911008756 663970996 /nfs/dbraw/zinc/97/09/96/663970996.db2.gz PSRLWQPPQRWEBD-ZDUSSCGKSA-N 1 3 318.421 0.231 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911054832 663973070 /nfs/dbraw/zinc/97/30/70/663973070.db2.gz LZEVMVOOTGMZHY-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911056093 663973547 /nfs/dbraw/zinc/97/35/47/663973547.db2.gz RLGHGLWVMKBZDY-QLFBSQMISA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911056421 663973580 /nfs/dbraw/zinc/97/35/80/663973580.db2.gz XDMNGXNJSIAELR-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CCC(C)CC1 ZINC000911090394 663985897 /nfs/dbraw/zinc/98/58/97/663985897.db2.gz ICWQLKIFNNTVSL-ILXRZTDVSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911161473 663995310 /nfs/dbraw/zinc/99/53/10/663995310.db2.gz KOQBJQQHKJQGKD-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911161250 663995403 /nfs/dbraw/zinc/99/54/03/663995403.db2.gz JNHZEOXTIASSBR-MCIONIFRSA-N 1 3 310.442 0.221 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000911302683 664023043 /nfs/dbraw/zinc/02/30/43/664023043.db2.gz KGTDEPBMRMPLFZ-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000911309511 664025402 /nfs/dbraw/zinc/02/54/02/664025402.db2.gz FFUBWBHGBDHCMY-CHWSQXEVSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911333743 664029779 /nfs/dbraw/zinc/02/97/79/664029779.db2.gz ULUUUCIGWCVBOO-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C[C@H]1CC[NH3+] ZINC000911532081 664069925 /nfs/dbraw/zinc/06/99/25/664069925.db2.gz KDFJQPAPWRDICW-ZIAGYGMSSA-N 1 3 324.469 0.278 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000911535065 664071157 /nfs/dbraw/zinc/07/11/57/664071157.db2.gz YRVUWWYBWYKVDP-KRWDZBQOSA-N 1 3 322.453 0.189 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564369 664082816 /nfs/dbraw/zinc/08/28/16/664082816.db2.gz UHABDWRYRQUODF-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000913426838 664312935 /nfs/dbraw/zinc/31/29/35/664312935.db2.gz DMWVFBWECOOVIT-ZNMIVQPWSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000913426838 664312937 /nfs/dbraw/zinc/31/29/37/664312937.db2.gz DMWVFBWECOOVIT-ZNMIVQPWSA-N 1 3 309.454 0.965 20 0 DCADHO C[C@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCCN1CCO ZINC000993475086 664971404 /nfs/dbraw/zinc/97/14/04/664971404.db2.gz DXIWSOGHBFESBN-GJZGRUSLSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930113812 665254719 /nfs/dbraw/zinc/25/47/19/665254719.db2.gz NMMQFDKQFHIYCS-HYVNUMGLSA-N 1 3 311.470 0.748 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930113812 665254721 /nfs/dbraw/zinc/25/47/21/665254721.db2.gz NMMQFDKQFHIYCS-HYVNUMGLSA-N 1 3 311.470 0.748 20 0 DCADHO Cn1nccc1C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998117075 665402494 /nfs/dbraw/zinc/40/24/94/665402494.db2.gz XLQBTUVCOSLUCU-UHFFFAOYSA-N 1 3 316.409 0.714 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001016248599 666012789 /nfs/dbraw/zinc/01/27/89/666012789.db2.gz BSLXAEAQWJBYFY-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001016248599 666012792 /nfs/dbraw/zinc/01/27/92/666012792.db2.gz BSLXAEAQWJBYFY-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](O)CN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858374 666069110 /nfs/dbraw/zinc/06/91/10/666069110.db2.gz OLEZKUDFUVJHAQ-XJKSGUPXSA-N 1 3 305.422 0.933 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001004056600 666432405 /nfs/dbraw/zinc/43/24/05/666432405.db2.gz VLBAAOBVRDYDOQ-CYBMUJFWSA-N 1 3 306.410 0.878 20 0 DCADHO CN(C)Cc1ccsc1C(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033122106 666547050 /nfs/dbraw/zinc/54/70/50/666547050.db2.gz ITKRREHLWMBRBC-CYBMUJFWSA-N 1 3 311.451 0.948 20 0 DCADHO CN(C)Cc1ccsc1C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033122106 666547051 /nfs/dbraw/zinc/54/70/51/666547051.db2.gz ITKRREHLWMBRBC-CYBMUJFWSA-N 1 3 311.451 0.948 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C)C(N)=O ZINC000995884710 666718908 /nfs/dbraw/zinc/71/89/08/666718908.db2.gz HIOHWMKEZNPZDW-OLZOCXBDSA-N 1 3 324.469 0.561 20 0 DCADHO Cn1cncc1CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996618053 666838296 /nfs/dbraw/zinc/83/82/96/666838296.db2.gz WFUZURDCXLPBMQ-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cncc1CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996618053 666838299 /nfs/dbraw/zinc/83/82/99/666838299.db2.gz WFUZURDCXLPBMQ-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1nccc1CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996618819 666838711 /nfs/dbraw/zinc/83/87/11/666838711.db2.gz XTAUTYKOFSBMLQ-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1nccc1CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996618819 666838713 /nfs/dbraw/zinc/83/87/13/666838713.db2.gz XTAUTYKOFSBMLQ-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)C1CC1 ZINC000996674165 666854836 /nfs/dbraw/zinc/85/48/36/666854836.db2.gz APCOHCRUEVECAJ-CZUORRHYSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC000996679119 666858632 /nfs/dbraw/zinc/85/86/32/666858632.db2.gz PYFKJWGRPOKKSS-KGLIPLIRSA-N 1 3 310.442 0.171 20 0 DCADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC)C1 ZINC001033905274 666863946 /nfs/dbraw/zinc/86/39/46/666863946.db2.gz KEOBAUJGTIRCBC-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC)C1 ZINC001033905274 666863949 /nfs/dbraw/zinc/86/39/49/666863949.db2.gz KEOBAUJGTIRCBC-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034318685 666988179 /nfs/dbraw/zinc/98/81/79/666988179.db2.gz DRQNDRRXLLNXHE-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034318685 666988180 /nfs/dbraw/zinc/98/81/80/666988180.db2.gz DRQNDRRXLLNXHE-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034526343 667056254 /nfs/dbraw/zinc/05/62/54/667056254.db2.gz XHDDIFZJVPONHX-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034526343 667056258 /nfs/dbraw/zinc/05/62/58/667056258.db2.gz XHDDIFZJVPONHX-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001034734813 667128059 /nfs/dbraw/zinc/12/80/59/667128059.db2.gz ZYTCIKBJANFWTP-AAVRWANBSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035258068 667277410 /nfs/dbraw/zinc/27/74/10/667277410.db2.gz DYDQUOMNENRTJY-KGLIPLIRSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035258068 667277411 /nfs/dbraw/zinc/27/74/11/667277411.db2.gz DYDQUOMNENRTJY-KGLIPLIRSA-N 1 3 322.453 0.126 20 0 DCADHO Cn1cncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997605702 667347236 /nfs/dbraw/zinc/34/72/36/667347236.db2.gz GZXOGRLEGODFHV-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001035733297 667405571 /nfs/dbraw/zinc/40/55/71/667405571.db2.gz YGKFWYGVPAZSLQ-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035815020 667413005 /nfs/dbraw/zinc/41/30/05/667413005.db2.gz XUEKRWNRSMXHSX-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035815020 667413006 /nfs/dbraw/zinc/41/30/06/667413006.db2.gz XUEKRWNRSMXHSX-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884211114 667500110 /nfs/dbraw/zinc/50/01/10/667500110.db2.gz TUQPDHJCEYXQTA-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)c1ccc(CN(C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923302349 667500834 /nfs/dbraw/zinc/50/08/34/667500834.db2.gz VUBSGCCXLXKCCA-OAHLLOKOSA-N 1 3 303.406 0.857 20 0 DCADHO O=C1CCCCN1[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923311254 667505647 /nfs/dbraw/zinc/50/56/47/667505647.db2.gz JNSVKYAFYXUMKZ-LSDHHAIUSA-N 1 3 307.438 0.842 20 0 DCADHO CC(C)(C(N)=O)N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923326089 667508521 /nfs/dbraw/zinc/50/85/21/667508521.db2.gz HZPHIIOPGGEBKT-GOOCMWNKSA-N 1 3 308.470 0.789 20 0 DCADHO NCC(C[NH3+])NCCC(=O)Nc1cccc(Br)c1 ZINC000923350883 667513518 /nfs/dbraw/zinc/51/35/18/667513518.db2.gz BJBRNEUTHYJMNR-UHFFFAOYSA-N 1 3 315.215 0.653 20 0 DCADHO NCC(C[NH3+])NCCC(=O)Nc1ccc(Br)cc1 ZINC000923352203 667514096 /nfs/dbraw/zinc/51/40/96/667514096.db2.gz QTYNZKHLTZUMBU-UHFFFAOYSA-N 1 3 315.215 0.653 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000923487478 667543040 /nfs/dbraw/zinc/54/30/40/667543040.db2.gz DIJAAMMCCBHLAV-ZIAGYGMSSA-N 1 3 319.405 0.613 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884450704 667547295 /nfs/dbraw/zinc/54/72/95/667547295.db2.gz QGGPCMSTPGARBB-KBMXLJTQSA-N 1 3 305.422 0.844 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884450704 667547298 /nfs/dbraw/zinc/54/72/98/667547298.db2.gz QGGPCMSTPGARBB-KBMXLJTQSA-N 1 3 305.422 0.844 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CCC1(C)C ZINC000868403865 667566793 /nfs/dbraw/zinc/56/67/93/667566793.db2.gz ABFRWWYTFOVERO-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@@H]1[NH3+] ZINC000868404710 667566817 /nfs/dbraw/zinc/56/68/17/667566817.db2.gz FPCVUVVHMNOXHU-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000923589993 667574249 /nfs/dbraw/zinc/57/42/49/667574249.db2.gz OKEKZQJUJZHDAQ-MCIONIFRSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923593131 667575331 /nfs/dbraw/zinc/57/53/31/667575331.db2.gz ITIHITDPTZOFGN-XQQFMLRXSA-N 1 3 301.456 0.625 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923593131 667575332 /nfs/dbraw/zinc/57/53/32/667575332.db2.gz ITIHITDPTZOFGN-XQQFMLRXSA-N 1 3 301.456 0.625 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000884618206 667577127 /nfs/dbraw/zinc/57/71/27/667577127.db2.gz YRYNUAAEXBLOHI-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000884631607 667579762 /nfs/dbraw/zinc/57/97/62/667579762.db2.gz PWTRAFAWGWKUFU-CQSZACIVSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884792251 667607859 /nfs/dbraw/zinc/60/78/59/667607859.db2.gz MGCREWMCPFHGTF-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884878746 667617900 /nfs/dbraw/zinc/61/79/00/667617900.db2.gz HQTHUXLTXMHONA-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966536 667628927 /nfs/dbraw/zinc/62/89/27/667628927.db2.gz MZBJSNMRIIVRND-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N1CCC[C@H](C)C1 ZINC000885203563 667652319 /nfs/dbraw/zinc/65/23/19/667652319.db2.gz VERSEHNBUVLSFA-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000870902520 667771732 /nfs/dbraw/zinc/77/17/32/667771732.db2.gz JWYMBZCSFWDXQX-ARFHVFGLSA-N 1 3 310.486 0.894 20 0 DCADHO COC(=O)c1cncc([C@@H](C)NCC2(O)CC[NH+](C)CC2)c1 ZINC000886530228 667774630 /nfs/dbraw/zinc/77/46/30/667774630.db2.gz GTBABKFMFPJILO-GFCCVEGCSA-N 1 3 307.394 0.976 20 0 DCADHO CCC1([NH+]2CCC2)CCN(CCC(=O)N2CCNCC2)CC1 ZINC000886859704 667809227 /nfs/dbraw/zinc/80/92/27/667809227.db2.gz BQQMVKAOTWZLFD-UHFFFAOYSA-N 1 3 308.470 0.759 20 0 DCADHO CN(CCO)CCNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000889243240 667957828 /nfs/dbraw/zinc/95/78/28/667957828.db2.gz NWUPMDLJZDLCRA-UHFFFAOYSA-N 1 3 324.429 0.195 20 0 DCADHO CN1CC[NH+](CC2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000874449923 668189407 /nfs/dbraw/zinc/18/94/07/668189407.db2.gz IIIWDRZYKOPYMT-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[N@@H+]1C ZINC000875208019 668280638 /nfs/dbraw/zinc/28/06/38/668280638.db2.gz OHYGLOZCPKNDIM-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[N@H+]1C ZINC000875208019 668280640 /nfs/dbraw/zinc/28/06/40/668280640.db2.gz OHYGLOZCPKNDIM-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC000925406949 668310183 /nfs/dbraw/zinc/31/01/83/668310183.db2.gz IJOVKQDJVOTFGA-QXSJWSMHSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@H]2CC[N@H+]2C)C[C@H](C)O1 ZINC000925406949 668310185 /nfs/dbraw/zinc/31/01/85/668310185.db2.gz IJOVKQDJVOTFGA-QXSJWSMHSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H](C)O1 ZINC000925406950 668310258 /nfs/dbraw/zinc/31/02/58/668310258.db2.gz IJOVKQDJVOTFGA-WCVJEAGWSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@@H]2CC[N@H+]2C)C[C@@H](C)O1 ZINC000925406950 668310265 /nfs/dbraw/zinc/31/02/65/668310265.db2.gz IJOVKQDJVOTFGA-WCVJEAGWSA-N 1 3 324.469 0.974 20 0 DCADHO CN1CCN(C(=O)CN[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925615635 668337068 /nfs/dbraw/zinc/33/70/68/668337068.db2.gz GXJXPWBGJCZAPO-MRXNPFEDSA-N 1 3 304.438 0.830 20 0 DCADHO CC1(C)[NH2+]CC[C@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000925721134 668343005 /nfs/dbraw/zinc/34/30/05/668343005.db2.gz AMRLYSMSGJXPIC-OAHLLOKOSA-N 1 3 300.410 0.956 20 0 DCADHO C(CN1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1)N1CCOCC1 ZINC000925767768 668346583 /nfs/dbraw/zinc/34/65/83/668346583.db2.gz HJWDDJYMILDTFV-IRXDYDNUSA-N 1 3 310.486 0.515 20 0 DCADHO C[C@H]1CN(C(=O)Nc2ccnn2CCN(C)C)CC[C@@H]1C[NH3+] ZINC000926129329 668375679 /nfs/dbraw/zinc/37/56/79/668375679.db2.gz BZCWSOLTNVEGIW-QWHCGFSZSA-N 1 3 308.430 0.893 20 0 DCADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926334975 668395165 /nfs/dbraw/zinc/39/51/65/668395165.db2.gz PFZFZMXGYKMOBB-RHSMWYFYSA-N 1 3 320.437 0.038 20 0 DCADHO CC1=NO[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000875954876 668400868 /nfs/dbraw/zinc/40/08/68/668400868.db2.gz OPXIDBQRTPBQNW-UONOGXRCSA-N 1 3 313.446 0.722 20 0 DCADHO CC1=NO[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000875954876 668400871 /nfs/dbraw/zinc/40/08/71/668400871.db2.gz OPXIDBQRTPBQNW-UONOGXRCSA-N 1 3 313.446 0.722 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926381415 668401321 /nfs/dbraw/zinc/40/13/21/668401321.db2.gz UHLKDPKDPJGKHW-ZIAGYGMSSA-N 1 3 310.442 0.125 20 0 DCADHO CCO[C@@H](CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)C[NH+](C)C ZINC000926834148 668433979 /nfs/dbraw/zinc/43/39/79/668433979.db2.gz FFSBDABKJIZEFU-GJZGRUSLSA-N 1 3 312.458 0.831 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927640488 668489722 /nfs/dbraw/zinc/48/97/22/668489722.db2.gz JZGOQXHPQGKIPN-INIZCTEOSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927640488 668489724 /nfs/dbraw/zinc/48/97/24/668489724.db2.gz JZGOQXHPQGKIPN-INIZCTEOSA-N 1 3 324.469 0.975 20 0 DCADHO CN1CCN(Cc2ccc(NC(=O)[C@@H](N)C[NH+](C)C)cc2)CC1 ZINC000876780962 668509609 /nfs/dbraw/zinc/50/96/09/668509609.db2.gz LAAOUSCMICLAAE-INIZCTEOSA-N 1 3 319.453 0.261 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877192889 668573723 /nfs/dbraw/zinc/57/37/23/668573723.db2.gz STWOBAQRWAEGNB-CYBMUJFWSA-N 1 3 311.426 0.601 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000928449336 668585504 /nfs/dbraw/zinc/58/55/04/668585504.db2.gz QCPPAPOFOFRKQZ-HFTRVMKXSA-N 1 3 317.433 0.832 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000928449336 668585506 /nfs/dbraw/zinc/58/55/06/668585506.db2.gz QCPPAPOFOFRKQZ-HFTRVMKXSA-N 1 3 317.433 0.832 20 0 DCADHO CSCC[C@@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331931 668603312 /nfs/dbraw/zinc/60/33/12/668603312.db2.gz SVGJKMCADMSMSC-NWDGAFQWSA-N 1 3 301.456 0.342 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337692 668603831 /nfs/dbraw/zinc/60/38/31/668603831.db2.gz SDZNQEJRDMBCKA-UONOGXRCSA-N 1 3 311.426 0.030 20 0 DCADHO [NH3+]C[C@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCCOC1 ZINC000877339267 668604900 /nfs/dbraw/zinc/60/49/00/668604900.db2.gz WPMAVJNDOQRWPE-DOTOQJQBSA-N 1 3 303.406 0.573 20 0 DCADHO COC[C@]1(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CCCCN1 ZINC000877354234 668608398 /nfs/dbraw/zinc/60/83/98/668608398.db2.gz CUPBXYRKVDZZBR-MDZLAQPJSA-N 1 3 323.359 0.741 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CCN(C3CCCC3)CC2)CC1 ZINC000877953192 668663740 /nfs/dbraw/zinc/66/37/40/668663740.db2.gz IVRINSZXKHZCAM-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO CC(=O)NC1CCC(N(C)CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878407397 668721390 /nfs/dbraw/zinc/72/13/90/668721390.db2.gz RGPCUADOFZLEIL-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC000879364499 669023731 /nfs/dbraw/zinc/02/37/31/669023731.db2.gz ARAREDAIYXRSMG-DLBZAZTESA-N 1 3 313.486 0.468 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC000879364499 669023735 /nfs/dbraw/zinc/02/37/35/669023735.db2.gz ARAREDAIYXRSMG-DLBZAZTESA-N 1 3 313.486 0.468 20 0 DCADHO CCOC(=O)[C@@](C)(O)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879596228 669069630 /nfs/dbraw/zinc/06/96/30/669069630.db2.gz JNXYFHVGRGICPP-INIZCTEOSA-N 1 3 313.442 0.012 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CCC2(CCCCO2)CC1 ZINC000880457318 669213830 /nfs/dbraw/zinc/21/38/30/669213830.db2.gz HMBWQBIPIXXACS-HNNXBMFYSA-N 1 3 300.443 0.961 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CCC2(CCCCO2)CC1 ZINC000880457318 669213832 /nfs/dbraw/zinc/21/38/32/669213832.db2.gz HMBWQBIPIXXACS-HNNXBMFYSA-N 1 3 300.443 0.961 20 0 DCADHO C[NH+](C)CCCS(=O)(=O)N1CCC(C)(N2CCC2)CC1 ZINC000882767343 669581985 /nfs/dbraw/zinc/58/19/85/669581985.db2.gz KLWWFKCVMFFBNS-UHFFFAOYSA-N 1 3 303.472 0.828 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCc2cn[nH]c2)CC1 ZINC000883437210 669687534 /nfs/dbraw/zinc/68/75/34/669687534.db2.gz MMTDTVXJZXTLJF-UONOGXRCSA-N 1 3 305.382 0.209 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000883438733 669687648 /nfs/dbraw/zinc/68/76/48/669687648.db2.gz AXTXRSLXRDKGIA-ZQDZILKHSA-N 1 3 321.421 0.955 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000883646441 669723453 /nfs/dbraw/zinc/72/34/53/669723453.db2.gz RIRZTCQFRRYSMQ-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+]1CCC(O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810445373 670485879 /nfs/dbraw/zinc/48/58/79/670485879.db2.gz PXCMWQKRTGBMFM-INIZCTEOSA-N 1 3 315.433 0.772 20 0 DCADHO CON1CCN(CCCCCC[NH+]2CCN(OC)CC2)CC1 ZINC000846975964 670505977 /nfs/dbraw/zinc/50/59/77/670505977.db2.gz DDTFBAZTDDNRLS-UHFFFAOYSA-N 1 3 314.474 0.905 20 0 DCADHO C[C@@H](C[C@H]1COCC[NH2+]1)NCCS(=O)(=O)CC(F)(F)F ZINC000854222879 670536348 /nfs/dbraw/zinc/53/63/48/670536348.db2.gz MTYPRSZRHFOCTB-UWVGGRQHSA-N 1 3 318.361 0.320 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000848994475 670746888 /nfs/dbraw/zinc/74/68/88/670746888.db2.gz LAKOSSBCRKSHPA-CABCVRRESA-N 1 3 311.474 0.505 20 0 DCADHO CCOC(=O)COCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849035211 670752577 /nfs/dbraw/zinc/75/25/77/670752577.db2.gz APNIRAKMXAKBTE-LBPRGKRZSA-N 1 3 300.403 0.164 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCC[NH+](C)C)cn1 ZINC000849482559 670809444 /nfs/dbraw/zinc/80/94/44/670809444.db2.gz RQVWFIIASCLNFI-CABCVRRESA-N 1 3 307.442 0.523 20 0 DCADHO CN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849557536 670815525 /nfs/dbraw/zinc/81/55/25/670815525.db2.gz GVQCEBDSEFBSGG-CABCVRRESA-N 1 3 307.442 0.475 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@](O)(C(N)=O)c1ccccc1)C2 ZINC000852107926 671088973 /nfs/dbraw/zinc/08/89/73/671088973.db2.gz RSOHVJIVORPUTM-QZTJIDSGSA-N 1 3 317.433 0.777 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@](O)(C(N)=O)c1ccccc1)C2 ZINC000852107926 671088978 /nfs/dbraw/zinc/08/89/78/671088978.db2.gz RSOHVJIVORPUTM-QZTJIDSGSA-N 1 3 317.433 0.777 20 0 DCADHO CN(C[C@@H](O)C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000819062206 671090795 /nfs/dbraw/zinc/09/07/95/671090795.db2.gz OPBWCTMDOAGBHT-IRXDYDNUSA-N 1 3 311.470 0.675 20 0 DCADHO CC(C)C1(O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000820080878 671163507 /nfs/dbraw/zinc/16/35/07/671163507.db2.gz OAKQDPJVJGPUDU-AWEZNQCLSA-N 1 3 314.474 0.671 20 0 DCADHO CC(C)C1(O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000820080878 671163514 /nfs/dbraw/zinc/16/35/14/671163514.db2.gz OAKQDPJVJGPUDU-AWEZNQCLSA-N 1 3 314.474 0.671 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852861037 671177799 /nfs/dbraw/zinc/17/77/99/671177799.db2.gz YTGTXPXEZPCRCP-LLVKDONJSA-N 1 3 306.366 0.799 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[N@H+](C)C1 ZINC000853683669 671258806 /nfs/dbraw/zinc/25/88/06/671258806.db2.gz VQMQILIGTVSJDK-RBSFLKMASA-N 1 3 310.442 0.585 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[N@@H+](C)C1 ZINC000853683669 671258807 /nfs/dbraw/zinc/25/88/07/671258807.db2.gz VQMQILIGTVSJDK-RBSFLKMASA-N 1 3 310.442 0.585 20 0 DCADHO COc1c[nH+]ccc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000822607606 671332850 /nfs/dbraw/zinc/33/28/50/671332850.db2.gz UPBACIZTNASFCV-UHFFFAOYSA-N 1 3 304.394 0.835 20 0 DCADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)[C@@H]2C1 ZINC000824302907 671427480 /nfs/dbraw/zinc/42/74/80/671427480.db2.gz IWCYRQDUGJQMPJ-XUWVNRHRSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)[C@@H]2C1 ZINC000824302907 671427483 /nfs/dbraw/zinc/42/74/83/671427483.db2.gz IWCYRQDUGJQMPJ-XUWVNRHRSA-N 1 3 322.453 0.585 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000827319530 671522230 /nfs/dbraw/zinc/52/22/30/671522230.db2.gz DPGYOIPRLPBJLH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000827319530 671522232 /nfs/dbraw/zinc/52/22/32/671522232.db2.gz DPGYOIPRLPBJLH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000827936480 671540100 /nfs/dbraw/zinc/54/01/00/671540100.db2.gz LBYKDLDXTOZPSM-JHJVBQTASA-N 1 3 319.409 0.080 20 0 DCADHO [NH3+]CCCCCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000831292331 671663227 /nfs/dbraw/zinc/66/32/27/671663227.db2.gz XWSLOVKWROZQPL-CQSZACIVSA-N 1 3 300.447 0.652 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841789112 671955085 /nfs/dbraw/zinc/95/50/85/671955085.db2.gz MIVUZPLOTUNLLL-INMHGKMJSA-N 1 3 322.453 0.635 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841790315 671955379 /nfs/dbraw/zinc/95/53/79/671955379.db2.gz CUIIRPUUKPCZQN-SOUVJXGZSA-N 1 3 308.426 0.386 20 0 DCADHO CC[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[C@@H]1[NH3+] ZINC000841791189 671956497 /nfs/dbraw/zinc/95/64/97/671956497.db2.gz PEECSANJZIHBNH-TUVASFSCSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842015126 671974229 /nfs/dbraw/zinc/97/42/29/671974229.db2.gz GYQJAAYVDZSZED-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000842016375 671974563 /nfs/dbraw/zinc/97/45/63/671974563.db2.gz UXVIBFJJSFBODN-MCIONIFRSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC[C@H]1[NH3+] ZINC000842016206 671974630 /nfs/dbraw/zinc/97/46/30/671974630.db2.gz SBJUWEPWJBSMMK-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015483 671974764 /nfs/dbraw/zinc/97/47/64/671974764.db2.gz LTAFCZHVWIUGEF-SOUVJXGZSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842016724 671975260 /nfs/dbraw/zinc/97/52/60/671975260.db2.gz XHBIRTPMIDVCGB-ILXRZTDVSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842253618 672000352 /nfs/dbraw/zinc/00/03/52/672000352.db2.gz ABHNHKGTNWZKKJ-AWEZNQCLSA-N 1 3 320.437 0.083 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000846360995 672309795 /nfs/dbraw/zinc/30/97/95/672309795.db2.gz BDBTYFVOIWWACO-UHFFFAOYSA-N 1 3 324.469 0.659 20 0 DCADHO CN(C(=O)C[C@H](N)C(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001649031418 1158500357 /nfs/dbraw/zinc/50/03/57/1158500357.db2.gz BVAWIUMKEGLKTM-OLZOCXBDSA-N 1 3 318.412 0.596 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024263438 693805331 /nfs/dbraw/zinc/80/53/31/693805331.db2.gz FEPZKDPNBZUJGH-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024263438 693805336 /nfs/dbraw/zinc/80/53/36/693805336.db2.gz FEPZKDPNBZUJGH-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380950933 685237462 /nfs/dbraw/zinc/23/74/62/685237462.db2.gz RDHDBLXMCYSHEW-CVEARBPZSA-N 1 3 305.422 0.989 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380950933 685237466 /nfs/dbraw/zinc/23/74/66/685237466.db2.gz RDHDBLXMCYSHEW-CVEARBPZSA-N 1 3 305.422 0.989 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000953903346 685894271 /nfs/dbraw/zinc/89/42/71/685894271.db2.gz SONXYFKUTFEJRJ-OAHLLOKOSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904566 685895379 /nfs/dbraw/zinc/89/53/79/685895379.db2.gz FPXINWQHUSCKJD-UKRRQHHQSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904566 685895383 /nfs/dbraw/zinc/89/53/83/685895383.db2.gz FPXINWQHUSCKJD-UKRRQHHQSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC000960045026 688287442 /nfs/dbraw/zinc/28/74/42/688287442.db2.gz WOMLQKPYFBNUCV-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000960753602 688450217 /nfs/dbraw/zinc/45/02/17/688450217.db2.gz FSUNLMWBCSBTGO-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000960753602 688450218 /nfs/dbraw/zinc/45/02/18/688450218.db2.gz FSUNLMWBCSBTGO-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)CC1 ZINC000961666387 688695103 /nfs/dbraw/zinc/69/51/03/688695103.db2.gz WICDLHAABFSMTF-ZSHCYNCHSA-N 1 3 317.437 0.271 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000961775591 688729738 /nfs/dbraw/zinc/72/97/38/688729738.db2.gz VFLXXYQIICXKOD-LJIGWXMPSA-N 1 3 317.437 0.414 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000961775591 688729739 /nfs/dbraw/zinc/72/97/39/688729739.db2.gz VFLXXYQIICXKOD-LJIGWXMPSA-N 1 3 317.437 0.414 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cnns3)C2)CC[N@@H+]1C ZINC000961855827 688754022 /nfs/dbraw/zinc/75/40/22/688754022.db2.gz BFKGQBDTIRQNMA-MLCFOIATSA-N 1 3 323.466 0.863 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cnns3)C2)CC[N@H+]1C ZINC000961855827 688754026 /nfs/dbraw/zinc/75/40/26/688754026.db2.gz BFKGQBDTIRQNMA-MLCFOIATSA-N 1 3 323.466 0.863 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000962538391 688935506 /nfs/dbraw/zinc/93/55/06/688935506.db2.gz ADWRSNNBQALKES-UHFFFAOYSA-N 1 3 317.437 0.500 20 0 DCADHO CC1(C)CCN(CC(=O)NC2CC3(C2)CC([NH2+]CCO)C3)C1 ZINC000965032563 689342789 /nfs/dbraw/zinc/34/27/89/689342789.db2.gz CDIDQJSWVSUKSW-UHFFFAOYSA-N 1 3 309.454 0.728 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001039112174 694304998 /nfs/dbraw/zinc/30/49/98/694304998.db2.gz DOHATUKQDWSEHC-CVEARBPZSA-N 1 3 309.454 0.633 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039112174 694305001 /nfs/dbraw/zinc/30/50/01/694305001.db2.gz DOHATUKQDWSEHC-CVEARBPZSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC000968672706 690362419 /nfs/dbraw/zinc/36/24/19/690362419.db2.gz KROPBCOUDAOVHN-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC000968924447 690425867 /nfs/dbraw/zinc/42/58/67/690425867.db2.gz IXMVENVVHSGWER-CQSZACIVSA-N 1 3 305.426 0.595 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC000968926480 690427126 /nfs/dbraw/zinc/42/71/26/690427126.db2.gz IBHBZPUWVFEERO-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000968967464 690437807 /nfs/dbraw/zinc/43/78/07/690437807.db2.gz PVCSZNUNMOYDKL-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000968967464 690437810 /nfs/dbraw/zinc/43/78/10/690437810.db2.gz PVCSZNUNMOYDKL-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968967229 690438133 /nfs/dbraw/zinc/43/81/33/690438133.db2.gz LXZPKKFFNAAPFW-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968967229 690438135 /nfs/dbraw/zinc/43/81/35/690438135.db2.gz LXZPKKFFNAAPFW-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000969098996 690470160 /nfs/dbraw/zinc/47/01/60/690470160.db2.gz IRKQVXRRICQXGD-CVEARBPZSA-N 1 3 319.453 0.903 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007993067 690784899 /nfs/dbraw/zinc/78/48/99/690784899.db2.gz YNBNURZAXJWOKJ-DGNOSDGRSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007993067 690784900 /nfs/dbraw/zinc/78/49/00/690784900.db2.gz YNBNURZAXJWOKJ-DGNOSDGRSA-N 1 3 307.438 0.839 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001011208263 691487269 /nfs/dbraw/zinc/48/72/69/691487269.db2.gz QAUGWNCUISSHSF-KFWWJZLASA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001011208263 691487271 /nfs/dbraw/zinc/48/72/71/691487271.db2.gz QAUGWNCUISSHSF-KFWWJZLASA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)N(C)C ZINC001011322693 691510150 /nfs/dbraw/zinc/51/01/50/691510150.db2.gz OBAVMRAPUUVFTK-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)N(C)C ZINC001011322693 691510154 /nfs/dbraw/zinc/51/01/54/691510154.db2.gz OBAVMRAPUUVFTK-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC12CC[NH+](CCO)CC2)N1CCCC1 ZINC001016762247 692764760 /nfs/dbraw/zinc/76/47/60/692764760.db2.gz XOKNJWDNRDXFCC-AWEZNQCLSA-N 1 3 309.454 0.824 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001018990795 693310208 /nfs/dbraw/zinc/31/02/08/693310208.db2.gz PVCSZNUNMOYDKL-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001018990795 693310212 /nfs/dbraw/zinc/31/02/12/693310212.db2.gz PVCSZNUNMOYDKL-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001018999349 693315682 /nfs/dbraw/zinc/31/56/82/693315682.db2.gz OSKCNVMGUCPNPB-GJZGRUSLSA-N 1 3 307.442 0.660 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001018999494 693315742 /nfs/dbraw/zinc/31/57/42/693315742.db2.gz UVPGTIHFKYQBKL-HOTGVXAUSA-N 1 3 321.469 0.739 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1=O ZINC001019002450 693317952 /nfs/dbraw/zinc/31/79/52/693317952.db2.gz WMLUYGUBPJMSCY-KKUMJFAQSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001019032179 693329167 /nfs/dbraw/zinc/32/91/67/693329167.db2.gz KDMCOKXOGWGLSQ-LSDHHAIUSA-N 1 3 307.442 0.493 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001019043818 693334528 /nfs/dbraw/zinc/33/45/28/693334528.db2.gz IRKQVXRRICQXGD-JKSUJKDBSA-N 1 3 319.453 0.903 20 0 DCADHO CC(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001019166664 693375996 /nfs/dbraw/zinc/37/59/96/693375996.db2.gz NCTFDIYJXQEZOL-GWUWNPHMSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001019241614 693404793 /nfs/dbraw/zinc/40/47/93/693404793.db2.gz OMULOAVQEBXDGT-RRFJBIMHSA-N 1 3 322.453 0.280 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020145342 693713999 /nfs/dbraw/zinc/71/39/99/693713999.db2.gz MHJCAWXGGJMLQJ-YDHLFZDLSA-N 1 3 320.441 0.425 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020145342 693714004 /nfs/dbraw/zinc/71/40/04/693714004.db2.gz MHJCAWXGGJMLQJ-YDHLFZDLSA-N 1 3 320.441 0.425 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072677391 694651275 /nfs/dbraw/zinc/65/12/75/694651275.db2.gz OVXGXPJCMQZRIR-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[N@H+](CCCO)C3)C1 ZINC001072982940 694690807 /nfs/dbraw/zinc/69/08/07/694690807.db2.gz GOHQFXCJPBWENR-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)C1 ZINC001072982940 694690808 /nfs/dbraw/zinc/69/08/08/694690808.db2.gz GOHQFXCJPBWENR-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C)N(C)C ZINC001074710826 694918398 /nfs/dbraw/zinc/91/83/98/694918398.db2.gz GNQIYTRTWAIVED-AEGPPILISA-N 1 3 307.442 0.839 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC[C@H]2CCOC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918415 694930377 /nfs/dbraw/zinc/93/03/77/694930377.db2.gz OEYNPCHRLCYQFB-YDHLFZDLSA-N 1 3 306.410 0.958 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001076588200 695030302 /nfs/dbraw/zinc/03/03/02/695030302.db2.gz NSRIRUKUDURVEG-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001076588200 695030303 /nfs/dbraw/zinc/03/03/03/695030303.db2.gz NSRIRUKUDURVEG-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014265 695124962 /nfs/dbraw/zinc/12/49/62/695124962.db2.gz MROAPIVNAKBUEU-HUUCEWRRSA-N 1 3 323.441 0.020 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001691359753 1157653005 /nfs/dbraw/zinc/65/30/05/1157653005.db2.gz DFQRUGBSQLYZSU-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COCC[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001691475983 1157788971 /nfs/dbraw/zinc/78/89/71/1157788971.db2.gz ACQRPLXWKMLJFD-HNNXBMFYSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001691448596 1157775884 /nfs/dbraw/zinc/77/58/84/1157775884.db2.gz WAUVCEAZJIPZJQ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001691448596 1157775890 /nfs/dbraw/zinc/77/58/90/1157775890.db2.gz WAUVCEAZJIPZJQ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC001648962148 1158189395 /nfs/dbraw/zinc/18/93/95/1158189395.db2.gz MFTQXNODFYZLIF-ZMSDIMECSA-N 1 3 305.422 0.388 20 0 DCADHO CN1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000225269499 1158216947 /nfs/dbraw/zinc/21/69/47/1158216947.db2.gz IMDQFMBHNGLUGY-IUODEOHRSA-N 1 3 312.435 0.665 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001648974752 1158222590 /nfs/dbraw/zinc/22/25/90/1158222590.db2.gz GLOYMRBVSIIRDF-UAGQMJEPSA-N 1 3 319.449 0.984 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C[NH2+]1 ZINC001649037804 1158607670 /nfs/dbraw/zinc/60/76/70/1158607670.db2.gz BMFOLERRXYBVDV-HONMWMINSA-N 1 3 316.405 0.769 20 0 DCADHO CN1CCN(C2CCN(C(=O)c3ccccc3C[NH3+])CC2)CC1 ZINC001649048143 1158624069 /nfs/dbraw/zinc/62/40/69/1158624069.db2.gz NXSZUYWTTHDPHR-UHFFFAOYSA-N 1 3 316.449 0.997 20 0 DCADHO CC[C@@H](C)C[C@H](N)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001649061837 1158628653 /nfs/dbraw/zinc/62/86/53/1158628653.db2.gz BCRFTLVBMLNILX-CRQFQMBKSA-N 1 3 311.426 0.489 20 0 DCADHO C[S@@](=O)C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC[NH2+]CC1 ZINC001649114651 1158648116 /nfs/dbraw/zinc/64/81/16/1158648116.db2.gz ZTJGXIHNDMDRGD-XDEPDNQISA-N 1 3 321.446 0.228 20 0 DCADHO CN(C)C1(CNc2ccc(-n3cnnn3)nc2)CC[NH+](C)CC1 ZINC001164212727 1159088019 /nfs/dbraw/zinc/08/80/19/1159088019.db2.gz ABGSLHOLBGEOGU-UHFFFAOYSA-N 1 3 316.413 0.495 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001445956426 1159324392 /nfs/dbraw/zinc/32/43/92/1159324392.db2.gz FCAQQCZNWRONPG-CQSZACIVSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1cc([C@@H]2C[N@H+](CC[C@H]3CCCN3C)C[C@H]2C(N)=O)cn1 ZINC001548431507 1159478713 /nfs/dbraw/zinc/47/87/13/1159478713.db2.gz GNLRYFDERIMYIM-QLFBSQMISA-N 1 3 305.426 0.405 20 0 DCADHO Cn1cc([C@@H]2C[N@@H+](CC[C@H]3CCCN3C)C[C@H]2C(N)=O)cn1 ZINC001548431507 1159478716 /nfs/dbraw/zinc/47/87/16/1159478716.db2.gz GNLRYFDERIMYIM-QLFBSQMISA-N 1 3 305.426 0.405 20 0 DCADHO CCC1(NCc2nnc(C)[nH]2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001447423865 1159637081 /nfs/dbraw/zinc/63/70/81/1159637081.db2.gz DRHSIVXUEMLBEX-UHFFFAOYSA-N 1 3 322.457 0.926 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001447443550 1159641051 /nfs/dbraw/zinc/64/10/51/1159641051.db2.gz FXJSGLNXUQOKIW-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001447443550 1159641059 /nfs/dbraw/zinc/64/10/59/1159641059.db2.gz FXJSGLNXUQOKIW-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001447551868 1159656923 /nfs/dbraw/zinc/65/69/23/1159656923.db2.gz SSKHXTJWJAQVHY-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001566574730 1160072126 /nfs/dbraw/zinc/07/21/26/1160072126.db2.gz GWNKYUQBPJNRIK-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001566574730 1160072134 /nfs/dbraw/zinc/07/21/34/1160072134.db2.gz GWNKYUQBPJNRIK-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@H](C(=O)NCCCN(C1CC1)[C@H]1CCNC1=O)[NH+](C)C ZINC001566602055 1160087983 /nfs/dbraw/zinc/08/79/83/1160087983.db2.gz JSJUIUMRNVQHLX-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)CNCCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568743022 1160755937 /nfs/dbraw/zinc/75/59/37/1160755937.db2.gz AEOIXCKFGMLPSF-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001568931234 1160876263 /nfs/dbraw/zinc/87/62/63/1160876263.db2.gz XYXNIFVLMMYADI-DSYXLKISSA-N 1 3 310.442 0.115 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001569562398 1161149284 /nfs/dbraw/zinc/14/92/84/1161149284.db2.gz MNAXBYCDTMKPQK-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCn2cccn2)C1 ZINC001569994010 1161375565 /nfs/dbraw/zinc/37/55/65/1161375565.db2.gz CDTABFLLWCHICQ-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001570153615 1161452466 /nfs/dbraw/zinc/45/24/66/1161452466.db2.gz PNIDBARUNRSPGB-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]CCF)CCOCC2)C1 ZINC001570305903 1161556002 /nfs/dbraw/zinc/55/60/02/1161556002.db2.gz LAIUEYWTAISGMK-ZDUSSCGKSA-N 1 3 301.406 0.553 20 0 DCADHO C[NH+](C)CC1(O)CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC001573858759 1163570082 /nfs/dbraw/zinc/57/00/82/1163570082.db2.gz MNNCGNZNPXJCDP-HNNXBMFYSA-N 1 3 305.422 0.472 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cn[nH]n2)C1 ZINC001575419523 1164007754 /nfs/dbraw/zinc/00/77/54/1164007754.db2.gz BMHAFWZQSTUVQI-ZFWWWQNUSA-N 1 3 320.441 0.758 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cn[nH]n2)C1 ZINC001575419523 1164007763 /nfs/dbraw/zinc/00/77/63/1164007763.db2.gz BMHAFWZQSTUVQI-ZFWWWQNUSA-N 1 3 320.441 0.758 20 0 DCADHO CN(CC(C)(C)C[NH2+]Cc1cnn[n-]1)C(=O)C1([NH+](C)C)CCC1 ZINC001576765221 1164455629 /nfs/dbraw/zinc/45/56/29/1164455629.db2.gz ZOCFBDWRXXARQG-UHFFFAOYSA-N 1 3 322.457 0.863 20 0 DCADHO CCC(CC)[NH2+]CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001577077223 1164596498 /nfs/dbraw/zinc/59/64/98/1164596498.db2.gz HFHWBKZZYQXYBT-UHFFFAOYSA-N 1 3 310.402 0.218 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C2(F)CC[NH2+]CC2)CC1 ZINC001577778106 1164791934 /nfs/dbraw/zinc/79/19/34/1164791934.db2.gz FKEWZSJYNLMXTD-AWEZNQCLSA-N 1 3 314.449 0.468 20 0 DCADHO C[NH+](C)CCN1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC001578418282 1165007788 /nfs/dbraw/zinc/00/77/88/1165007788.db2.gz DLIMWJZXFABPKQ-UHFFFAOYSA-N 1 3 302.422 0.609 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001578451774 1165021570 /nfs/dbraw/zinc/02/15/70/1165021570.db2.gz NDFVFCOANCQXHU-OLZOCXBDSA-N 1 3 306.414 0.369 20 0 DCADHO CN(C(=O)c1cnn2cc(CC[NH3+])cnc12)[C@@H]1CCCN(C)C1 ZINC001578529559 1165046129 /nfs/dbraw/zinc/04/61/29/1165046129.db2.gz YQWAIMANHCMRAY-CYBMUJFWSA-N 1 3 316.409 0.397 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@H]3C[C@@H]([NH3+])[C@@H]4C[C@@H]43)CC2)CC1 ZINC001578533254 1165048414 /nfs/dbraw/zinc/04/84/14/1165048414.db2.gz CSNBDMXPTNQOEJ-XUWVNRHRSA-N 1 3 306.454 0.208 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)Nc1nn(C)c(C)c1CN ZINC001579014882 1165187818 /nfs/dbraw/zinc/18/78/18/1165187818.db2.gz UBHCDKJNLKWROY-UHFFFAOYSA-N 1 3 312.418 0.277 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)Nc1nn(C)c(C)c1CN ZINC001579014882 1165187821 /nfs/dbraw/zinc/18/78/21/1165187821.db2.gz UBHCDKJNLKWROY-UHFFFAOYSA-N 1 3 312.418 0.277 20 0 DCADHO COCCN(C)CCNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001579021693 1165189925 /nfs/dbraw/zinc/18/99/25/1165189925.db2.gz PRQHSABIGGLHAZ-JCNLHEQBSA-N 1 3 305.422 0.740 20 0 DCADHO COc1cccc(CN(CCN(C)C)C(=O)C[C@H](O)C[NH3+])c1 ZINC001579277901 1165260348 /nfs/dbraw/zinc/26/03/48/1165260348.db2.gz QRYGKPVJDYSFHL-AWEZNQCLSA-N 1 3 309.410 0.295 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C[C@H]1C[NH3+] ZINC001579428996 1165305917 /nfs/dbraw/zinc/30/59/17/1165305917.db2.gz UQXIAAYBXUDIMG-XOUADPBQSA-N 1 3 319.453 0.509 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)CC[NH2+]1 ZINC001579468173 1165319886 /nfs/dbraw/zinc/31/98/86/1165319886.db2.gz ARHMUFCCGKUBSQ-LUYZLQTOSA-N 1 3 309.454 0.869 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001580206108 1165537205 /nfs/dbraw/zinc/53/72/05/1165537205.db2.gz CKFNCSJMCNWWQM-IJLUTSLNSA-N 1 3 323.359 0.883 20 0 DCADHO NC(=O)c1cn(C2CCN(Cc3ccc(C[NH3+])cc3)CC2)nn1 ZINC001580337024 1165575259 /nfs/dbraw/zinc/57/52/59/1165575259.db2.gz DDEYKEOLTZZHSB-UHFFFAOYSA-N 1 3 314.393 0.673 20 0 DCADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)C1 ZINC001580402138 1165594430 /nfs/dbraw/zinc/59/44/30/1165594430.db2.gz OFBGHYSHCLDIAI-DYLSRMHGSA-N 1 3 307.438 0.608 20 0 DCADHO [NH3+][C@H]1CC[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)CC1 ZINC001580414870 1165598580 /nfs/dbraw/zinc/59/85/80/1165598580.db2.gz DWSWTNULKJPXKD-OKILXGFUSA-N 1 3 310.442 0.222 20 0 DCADHO O=C(CN1CCN(CCC2C[NH2+]C2)CC1)Nc1ccccc1F ZINC001580549553 1165636151 /nfs/dbraw/zinc/63/61/51/1165636151.db2.gz RFBDTUQIMRDKHE-UHFFFAOYSA-N 1 3 320.412 0.991 20 0 DCADHO O=C(NC[C@H]1CCN1C1CCOCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC001580662043 1165678238 /nfs/dbraw/zinc/67/82/38/1165678238.db2.gz ZMYMOYARDKEUOI-CABCVRRESA-N 1 3 322.453 0.681 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC12CC[NH2+]CC2 ZINC001580661523 1165678767 /nfs/dbraw/zinc/67/87/67/1165678767.db2.gz YFPJRKBIVGGRIB-UONOGXRCSA-N 1 3 308.426 0.387 20 0 DCADHO O=C1O[C@@H](CN[C@]2(CO)CCCc3ccccc32)CC12C[NH2+]C2 ZINC001580858653 1165740240 /nfs/dbraw/zinc/74/02/40/1165740240.db2.gz NFJLTUUOGBILCV-KDOFPFPSSA-N 1 3 316.401 0.705 20 0 DCADHO c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001593548348 1167928098 /nfs/dbraw/zinc/92/80/98/1167928098.db2.gz YBVWZGXMUWCJMX-HNNXBMFYSA-N 1 3 313.409 0.346 20 0 DCADHO c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001593548348 1167928106 /nfs/dbraw/zinc/92/81/06/1167928106.db2.gz YBVWZGXMUWCJMX-HNNXBMFYSA-N 1 3 313.409 0.346 20 0 DCADHO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123299 1170818358 /nfs/dbraw/zinc/81/83/58/1170818358.db2.gz FNMNCTOCQCGPBN-CYBMUJFWSA-N 1 3 315.425 0.813 20 0 DCADHO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123299 1170818364 /nfs/dbraw/zinc/81/83/64/1170818364.db2.gz FNMNCTOCQCGPBN-CYBMUJFWSA-N 1 3 315.425 0.813 20 0 DCADHO C[C@H](CNC(=O)c1ccccc1C[NH3+])CN1CCN(C)CC1 ZINC001646745204 1172506669 /nfs/dbraw/zinc/50/66/69/1172506669.db2.gz ZVUKSYJZXLTRHZ-CQSZACIVSA-N 1 3 304.438 0.759 20 0 DCADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](O)C[NH3+])cc2)CC1 ZINC001646772207 1172523057 /nfs/dbraw/zinc/52/30/57/1172523057.db2.gz HAZCQMYNMGUMRR-MRXNPFEDSA-N 1 3 320.437 0.266 20 0 DCADHO O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001646836169 1172557553 /nfs/dbraw/zinc/55/75/53/1172557553.db2.gz GKZOYQJCFOSRSV-SJORKVTESA-N 1 3 315.417 0.961 20 0 DCADHO COC(=O)NC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC001647284337 1172783825 /nfs/dbraw/zinc/78/38/25/1172783825.db2.gz GEQHAAHXUIAYBC-GFCCVEGCSA-N 1 3 312.414 0.004 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001649855666 1173263126 /nfs/dbraw/zinc/26/31/26/1173263126.db2.gz RXJKKYZNVZKQSD-AWEZNQCLSA-N 1 3 310.442 0.078 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1(C2CC[NH2+]CC2)CC1 ZINC001650336839 1173575078 /nfs/dbraw/zinc/57/50/78/1173575078.db2.gz QRFQRSKXORBPRO-LSDHHAIUSA-N 1 3 307.438 0.746 20 0 DCADHO C[C@@]1(NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)CC[NH2+]C1 ZINC001650370481 1173598720 /nfs/dbraw/zinc/59/87/20/1173598720.db2.gz PYLDVWKTXUMZDP-BLLLJJGKSA-N 1 3 302.378 0.380 20 0 DCADHO NC(=O)c1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC001655568576 1173821886 /nfs/dbraw/zinc/82/18/86/1173821886.db2.gz MECOZAMMFOAFRR-HNNXBMFYSA-N 1 3 318.421 0.463 20 0 DCADHO C[C@@H]1COCCN1CC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001659832231 1173936466 /nfs/dbraw/zinc/93/64/66/1173936466.db2.gz XAKIMUGLDUYEIX-MRXNPFEDSA-N 1 3 310.486 0.419 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001660529102 1174003985 /nfs/dbraw/zinc/00/39/85/1174003985.db2.gz NFHWJYOFHYBGCA-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001660529102 1174003989 /nfs/dbraw/zinc/00/39/89/1174003989.db2.gz NFHWJYOFHYBGCA-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCNCC(=O)NCC1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001664313531 1174420284 /nfs/dbraw/zinc/42/02/84/1174420284.db2.gz LCJVJHCOOUNOIX-UHFFFAOYSA-N 1 3 322.453 0.047 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001669207882 1174909837 /nfs/dbraw/zinc/90/98/37/1174909837.db2.gz PWGSOXHTBGDVKC-VUBDOFJKSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](C[NH2+]CCn1cccn1)NC(=O)C(C)(C)N1CCCC1 ZINC001669369060 1174922153 /nfs/dbraw/zinc/92/21/53/1174922153.db2.gz YARDLGSTTALGPZ-CQSZACIVSA-N 1 3 307.442 0.852 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001673310363 1175189226 /nfs/dbraw/zinc/18/92/26/1175189226.db2.gz JKIJDEKGVBZDEV-LJJWDDLZSA-N 1 3 315.845 0.898 20 0 DCADHO COCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001675628639 1175382346 /nfs/dbraw/zinc/38/23/46/1175382346.db2.gz YAVXSTYOBBEYRA-UONOGXRCSA-N 1 3 301.431 0.179 20 0 DCADHO CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(C)C1=O ZINC001689953262 1177123413 /nfs/dbraw/zinc/12/34/13/1177123413.db2.gz KSOCXWYMGKHYMZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)N(C)C ZINC001689968896 1177129575 /nfs/dbraw/zinc/12/95/75/1177129575.db2.gz CPSRRQKWVHILSU-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)N(C)C ZINC001689968896 1177129579 /nfs/dbraw/zinc/12/95/79/1177129579.db2.gz CPSRRQKWVHILSU-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CNC(=O)CCCC[NH+](C)C)N[C@H]1CCCN(C)C1=O ZINC001690639980 1177291585 /nfs/dbraw/zinc/29/15/85/1177291585.db2.gz JEUNFASWQOVKSK-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CCCO ZINC001698769312 1177643674 /nfs/dbraw/zinc/64/36/74/1177643674.db2.gz YMJRGJGHUOQBOH-CZUORRHYSA-N 1 3 317.449 0.923 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699146033 1177890824 /nfs/dbraw/zinc/89/08/24/1177890824.db2.gz HHDZFOZZKJFYRU-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001699146033 1177890831 /nfs/dbraw/zinc/89/08/31/1177890831.db2.gz HHDZFOZZKJFYRU-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699204401 1177937973 /nfs/dbraw/zinc/93/79/73/1177937973.db2.gz IWWLQBAUIYCHFJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001699204401 1177937978 /nfs/dbraw/zinc/93/79/78/1177937978.db2.gz IWWLQBAUIYCHFJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCc2ccnn2C)C1 ZINC001699307377 1178051784 /nfs/dbraw/zinc/05/17/84/1178051784.db2.gz FJYNIUKZDPQXOB-JZIMQPMSSA-N 1 3 319.453 0.566 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(N)=O ZINC001699314157 1178057309 /nfs/dbraw/zinc/05/73/09/1178057309.db2.gz LFIHPPYBVZQTKF-MFHOCJEASA-N 1 3 324.469 0.775 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(N)=O ZINC001699314157 1178057314 /nfs/dbraw/zinc/05/73/14/1178057314.db2.gz LFIHPPYBVZQTKF-MFHOCJEASA-N 1 3 324.469 0.775 20 0 DCADHO O=C(C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1)N1CCC1 ZINC001700089842 1178474653 /nfs/dbraw/zinc/47/46/53/1178474653.db2.gz WGVQLGXOVQTVBN-HNNXBMFYSA-N 1 3 322.453 0.143 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)N(C)C ZINC001700276757 1178565148 /nfs/dbraw/zinc/56/51/48/1178565148.db2.gz YMBOYRKUKQEANZ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001700660218 1178696174 /nfs/dbraw/zinc/69/61/74/1178696174.db2.gz YRRXLWOBTDQQSR-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCOCC(F)F)CN1C(=O)CN1CCCC1 ZINC001700854759 1178778425 /nfs/dbraw/zinc/77/84/25/1178778425.db2.gz UPQWZMUVGCIAAS-QWHCGFSZSA-N 1 3 319.396 0.943 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCCF)[NH+]1CCCCC1 ZINC001700977997 1178856489 /nfs/dbraw/zinc/85/64/89/1178856489.db2.gz MKOPBCHNZRDVQE-GJZGRUSLSA-N 1 3 317.449 0.875 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001703371826 1179507674 /nfs/dbraw/zinc/50/76/74/1179507674.db2.gz GYBFELXZDDYTBJ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001703371826 1179507681 /nfs/dbraw/zinc/50/76/81/1179507681.db2.gz GYBFELXZDDYTBJ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C1CCC1)[C@H]1CCNC1=O ZINC001707452779 1180517195 /nfs/dbraw/zinc/51/71/95/1180517195.db2.gz SDEJOVNQRPZHHR-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)[C@H]1CCNC1=O ZINC001707452779 1180517201 /nfs/dbraw/zinc/51/72/01/1180517201.db2.gz SDEJOVNQRPZHHR-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001713168481 1180705467 /nfs/dbraw/zinc/70/54/67/1180705467.db2.gz LMWKKIMLIJHUNM-BPUTZDHNSA-N 1 3 309.454 0.992 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](C[C@H](O)COC)CC1 ZINC000160996697 1180864109 /nfs/dbraw/zinc/86/41/09/1180864109.db2.gz XWDMKHXVOSSKNK-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCCN2CCCC2=O)C1 ZINC001714758142 1181527812 /nfs/dbraw/zinc/52/78/12/1181527812.db2.gz XRLNGDQYSRRPDU-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC001714779634 1181541504 /nfs/dbraw/zinc/54/15/04/1181541504.db2.gz FSOHURINTWUORP-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001714779634 1181541506 /nfs/dbraw/zinc/54/15/06/1181541506.db2.gz FSOHURINTWUORP-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO CN(CC[NH2+]C[C@H](O)CC(F)(F)F)C(=O)CN1CCCC1 ZINC001714793538 1181549887 /nfs/dbraw/zinc/54/98/87/1181549887.db2.gz ASQKWLZCXDLXBZ-LLVKDONJSA-N 1 3 311.348 0.444 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714797164 1181552552 /nfs/dbraw/zinc/55/25/52/1181552552.db2.gz WPTQORHVLKQFEC-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714797164 1181552557 /nfs/dbraw/zinc/55/25/57/1181552557.db2.gz WPTQORHVLKQFEC-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N(C)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001715659286 1181928310 /nfs/dbraw/zinc/92/83/10/1181928310.db2.gz YXXSBSQDFZGVTA-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNCc1cc2n(n1)CCC2)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715706344 1181949688 /nfs/dbraw/zinc/94/96/88/1181949688.db2.gz ISCLCBIGGQMEPC-UONOGXRCSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@@H](CCNCc1cc2n(n1)CCC2)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715706344 1181949693 /nfs/dbraw/zinc/94/96/93/1181949693.db2.gz ISCLCBIGGQMEPC-UONOGXRCSA-N 1 3 319.453 0.765 20 0 DCADHO Cc1noc(CCC[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)n1 ZINC001715797400 1182007985 /nfs/dbraw/zinc/00/79/85/1182007985.db2.gz FZIUITADJHVGOR-RDFMZFSFSA-N 1 3 321.425 0.667 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001715964931 1182120889 /nfs/dbraw/zinc/12/08/89/1182120889.db2.gz OXLXGBXHTRQSKV-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C1CC[NH+](C)CC1 ZINC001716237894 1182269866 /nfs/dbraw/zinc/26/98/66/1182269866.db2.gz RAEJRTLCMIOXGZ-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC1CC1 ZINC001716532339 1182427123 /nfs/dbraw/zinc/42/71/23/1182427123.db2.gz ICVKOUMKXYHNRX-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001716568495 1182446540 /nfs/dbraw/zinc/44/65/40/1182446540.db2.gz MVJRDCSXPSLHOT-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)CN2CCCC2)C1=O ZINC001716586084 1182457281 /nfs/dbraw/zinc/45/72/81/1182457281.db2.gz WULRFYJHAFLFMB-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CCCO)C1CCCC1 ZINC001716825462 1182536208 /nfs/dbraw/zinc/53/62/08/1182536208.db2.gz YWXNMLKDSPQTCM-HNNXBMFYSA-N 1 3 308.426 0.908 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717749455 1182978244 /nfs/dbraw/zinc/97/82/44/1182978244.db2.gz CNDXMHVRCFKSTL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCOCCNCCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001718007605 1183103597 /nfs/dbraw/zinc/10/35/97/1183103597.db2.gz CPRAAXSWEDDNPO-CQSZACIVSA-N 1 3 301.406 0.362 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001721865800 1184085627 /nfs/dbraw/zinc/08/56/27/1184085627.db2.gz NPEZCTHZVPEZRS-ODDKPAMPSA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001721865800 1184085632 /nfs/dbraw/zinc/08/56/32/1184085632.db2.gz NPEZCTHZVPEZRS-ODDKPAMPSA-N 1 3 324.469 0.455 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC/C=C\Cl)C1 ZINC001724825125 1184576876 /nfs/dbraw/zinc/57/68/76/1184576876.db2.gz LEWUGCJEBIPHIJ-AGLBCWCQSA-N 1 3 303.834 0.898 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNC/C=C\Cl)C1 ZINC001724825125 1184576882 /nfs/dbraw/zinc/57/68/82/1184576882.db2.gz LEWUGCJEBIPHIJ-AGLBCWCQSA-N 1 3 303.834 0.898 20 0 DCADHO CN(CC[NH2+]CCOC[C@H]1CCCO1)C(=O)[C@H]1CCCN1C ZINC001731897941 1185555877 /nfs/dbraw/zinc/55/58/77/1185555877.db2.gz HBJZGYULPVSQAB-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001732423294 1185811346 /nfs/dbraw/zinc/81/13/46/1185811346.db2.gz QBETWIPIKCWZDK-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732807438 1185977646 /nfs/dbraw/zinc/97/76/46/1185977646.db2.gz ONVFZLAHPFVFOR-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001732807438 1185977649 /nfs/dbraw/zinc/97/76/49/1185977649.db2.gz ONVFZLAHPFVFOR-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001732983048 1186090899 /nfs/dbraw/zinc/09/08/99/1186090899.db2.gz DGTOHLQDQKCCOE-GDBMZVCRSA-N 1 3 321.469 0.931 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001733129152 1186152892 /nfs/dbraw/zinc/15/28/92/1186152892.db2.gz SJIQJOYEGXXMMA-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N(CCNCC(N)=O)Cc2ccccc2)C1 ZINC001733572754 1186335319 /nfs/dbraw/zinc/33/53/19/1186335319.db2.gz SEINEUUQNMRZTL-HNNXBMFYSA-N 1 3 318.421 0.042 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N(CCNCC(N)=O)Cc2ccccc2)C1 ZINC001733572754 1186335324 /nfs/dbraw/zinc/33/53/24/1186335324.db2.gz SEINEUUQNMRZTL-HNNXBMFYSA-N 1 3 318.421 0.042 20 0 DCADHO C[C@H](C(=O)N1CCO[C@H](C[NH2+]CCO)C1)N1CCCCCC1 ZINC001733741079 1186425576 /nfs/dbraw/zinc/42/55/76/1186425576.db2.gz BCOUOVQXJWQELD-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H](CCC[NH2+]Cc1cnnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001734252378 1186593053 /nfs/dbraw/zinc/59/30/53/1186593053.db2.gz HUHIEVLALMOUDJ-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC001752210472 1188404039 /nfs/dbraw/zinc/40/40/39/1188404039.db2.gz SFYPPEQZURUYMI-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCn3cncn3)C2)CCC1 ZINC001752941078 1188465063 /nfs/dbraw/zinc/46/50/63/1188465063.db2.gz XFRVHHBMQAZYJB-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C1CC1 ZINC001753201364 1188533335 /nfs/dbraw/zinc/53/33/35/1188533335.db2.gz DKBWAJBEQDOXER-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)CN1CC[C@H](C)C1 ZINC001753999085 1188706852 /nfs/dbraw/zinc/70/68/52/1188706852.db2.gz FKPULCPATHQSSP-KBPBESRZSA-N 1 3 308.430 0.104 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001754163784 1188765858 /nfs/dbraw/zinc/76/58/58/1188765858.db2.gz NYJPJZUUKKGSLA-OOPCZODUSA-N 1 3 322.453 0.257 20 0 DCADHO CN(CCOCC[NH2+]Cc1cnn(C)c1)C(=O)[C@@H]1CCCN1C ZINC001755871502 1189240095 /nfs/dbraw/zinc/24/00/95/1189240095.db2.gz IGPQJBAOYHTAAI-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001758007515 1189676233 /nfs/dbraw/zinc/67/62/33/1189676233.db2.gz WIAOOPVVYKCVJK-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001772315293 1190661107 /nfs/dbraw/zinc/66/11/07/1190661107.db2.gz FDLMDXVGKOHCLH-MUQADHOPSA-N 1 3 321.465 0.966 20 0 DCADHO COCC[N@@H+]1CCO[C@H]2CN(c3cc(CN)ncn3)CC[C@H]2C1 ZINC001164852285 720847197 /nfs/dbraw/zinc/84/71/97/720847197.db2.gz JXDGLABTUXXAOV-ZFWWWQNUSA-N 1 3 321.425 0.109 20 0 DCADHO COCC[N@H+]1CCO[C@H]2CN(c3cc(CN)ncn3)CC[C@H]2C1 ZINC001164852285 720847199 /nfs/dbraw/zinc/84/71/99/720847199.db2.gz JXDGLABTUXXAOV-ZFWWWQNUSA-N 1 3 321.425 0.109 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466485 751406596 /nfs/dbraw/zinc/40/65/96/751406596.db2.gz MMCCGRXMUFIWFF-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475144 751412246 /nfs/dbraw/zinc/41/22/46/751412246.db2.gz ROGUPQIPQLTUGL-HIFRSBDPSA-N 1 3 324.469 0.195 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475368 751413533 /nfs/dbraw/zinc/41/35/33/751413533.db2.gz UOVJAWGIFBVXKZ-ZDUSSCGKSA-N 1 3 308.451 0.999 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480078 751414973 /nfs/dbraw/zinc/41/49/73/751414973.db2.gz IEMGBZSBQRKGBM-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001127701452 751644654 /nfs/dbraw/zinc/64/46/54/751644654.db2.gz OWPTUZMHCSYNIW-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001127701452 751644661 /nfs/dbraw/zinc/64/46/61/751644661.db2.gz OWPTUZMHCSYNIW-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC)C1 ZINC001100460297 747098903 /nfs/dbraw/zinc/09/89/03/747098903.db2.gz ZAMYWILXNHLIPW-HIFPTAJRSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248541 747423197 /nfs/dbraw/zinc/42/31/97/747423197.db2.gz MHJAYKZDGPWVFV-HRCADAONSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248541 747423201 /nfs/dbraw/zinc/42/32/01/747423201.db2.gz MHJAYKZDGPWVFV-HRCADAONSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001167633428 747439305 /nfs/dbraw/zinc/43/93/05/747439305.db2.gz CFZWGCQYZYIWFC-OAHLLOKOSA-N 1 3 322.457 0.637 20 0 DCADHO Cc1ncc(CN)c(=N)n1-c1ccc(N2CC[NH+](C)CC2)cn1 ZINC001167677776 747537616 /nfs/dbraw/zinc/53/76/16/747537616.db2.gz XTRUPCPLQUQJLH-UHFFFAOYSA-N 1 3 313.409 0.266 20 0 DCADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C1CCCS1(=O)=O ZINC001143473742 747761988 /nfs/dbraw/zinc/76/19/88/747761988.db2.gz CVDUTXWDKQTDNM-ONGXEEELSA-N 1 3 310.379 0.004 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CCC1 ZINC001087364319 747768214 /nfs/dbraw/zinc/76/82/14/747768214.db2.gz WHABBTWPMYRZTF-JJXSEGSLSA-N 1 3 321.465 0.632 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CCC1 ZINC001087364319 747768216 /nfs/dbraw/zinc/76/82/16/747768216.db2.gz WHABBTWPMYRZTF-JJXSEGSLSA-N 1 3 321.465 0.632 20 0 DCADHO N=c1sc2c(n1C(=O)C1CCCS1(=O)=O)CC[C@H]([NH3+])C2 ZINC001143480427 747782094 /nfs/dbraw/zinc/78/20/94/747782094.db2.gz HSJZMJQPXSKSOP-XVKPBYJWSA-N 1 3 315.420 0.062 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNCc1nccn1C ZINC001104622374 747805536 /nfs/dbraw/zinc/80/55/36/747805536.db2.gz VFCNKKHGTPQEOI-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001077665085 752253183 /nfs/dbraw/zinc/25/31/83/752253183.db2.gz DGMNRRGTCPCYRX-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361056 748487881 /nfs/dbraw/zinc/48/78/81/748487881.db2.gz OYHOVTMTNZOMKV-ZDUSSCGKSA-N 1 3 320.441 0.503 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361056 748487884 /nfs/dbraw/zinc/48/78/84/748487884.db2.gz OYHOVTMTNZOMKV-ZDUSSCGKSA-N 1 3 320.441 0.503 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086558610 761931847 /nfs/dbraw/zinc/93/18/47/761931847.db2.gz DYZNFNGANQGOQI-TUVASFSCSA-N 1 3 322.453 0.234 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088329879 749372500 /nfs/dbraw/zinc/37/25/00/749372500.db2.gz JRMAVDGQIXTKQH-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088329879 749372508 /nfs/dbraw/zinc/37/25/08/749372508.db2.gz JRMAVDGQIXTKQH-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC(N(CCO)CCF)CC2)CC1 ZINC001098462532 762061005 /nfs/dbraw/zinc/06/10/05/762061005.db2.gz ZGRHWMGOFKNMBN-UHFFFAOYSA-N 1 3 315.433 0.583 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254229 750927834 /nfs/dbraw/zinc/92/78/34/750927834.db2.gz DFUFATTUEAROAB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254229 750927838 /nfs/dbraw/zinc/92/78/38/750927838.db2.gz DFUFATTUEAROAB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254916 750930527 /nfs/dbraw/zinc/93/05/27/750930527.db2.gz GPYNKVLKXLBKPQ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254916 750930533 /nfs/dbraw/zinc/93/05/33/750930533.db2.gz GPYNKVLKXLBKPQ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C ZINC001078085690 753022338 /nfs/dbraw/zinc/02/23/38/753022338.db2.gz VWVOLHWUPMVOPN-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1)C1CC1 ZINC001045067705 753030369 /nfs/dbraw/zinc/03/03/69/753030369.db2.gz QIWOWGMOUFOFGI-JKSUJKDBSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001078197658 753103055 /nfs/dbraw/zinc/10/30/55/753103055.db2.gz MIELEFSAXCPQEV-DZGCQCFKSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035893 753439606 /nfs/dbraw/zinc/43/96/06/753439606.db2.gz VMVVCGLGLIWECQ-DLBZAZTESA-N 1 3 322.497 0.954 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035893 753439611 /nfs/dbraw/zinc/43/96/11/753439611.db2.gz VMVVCGLGLIWECQ-DLBZAZTESA-N 1 3 322.497 0.954 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001046037898 753440333 /nfs/dbraw/zinc/44/03/33/753440333.db2.gz BKQBSTRRBMKOQQ-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001046037898 753440335 /nfs/dbraw/zinc/44/03/35/753440335.db2.gz BKQBSTRRBMKOQQ-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064675 753458764 /nfs/dbraw/zinc/45/87/64/753458764.db2.gz RMCYXSULTFFDJY-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064675 753458765 /nfs/dbraw/zinc/45/87/65/753458765.db2.gz RMCYXSULTFFDJY-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO COCCN1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696922 753882299 /nfs/dbraw/zinc/88/22/99/753882299.db2.gz YADKUNJLNPANSV-MRXNPFEDSA-N 1 3 323.441 0.285 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCO)CCC2(F)F)C1 ZINC001046992799 754059090 /nfs/dbraw/zinc/05/90/90/754059090.db2.gz CYHZLMTXGFLDDO-OLZOCXBDSA-N 1 3 319.396 0.394 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCO)CCC2(F)F)C1 ZINC001046992799 754059098 /nfs/dbraw/zinc/05/90/98/754059098.db2.gz CYHZLMTXGFLDDO-OLZOCXBDSA-N 1 3 319.396 0.394 20 0 DCADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047473479 754312856 /nfs/dbraw/zinc/31/28/56/754312856.db2.gz SUDJLMRHQRDTBG-JYJNAYRXSA-N 1 3 309.454 0.773 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047596276 754421525 /nfs/dbraw/zinc/42/15/25/754421525.db2.gz OXRCPIOMEAFKLY-RDBSUJKOSA-N 1 3 301.406 0.191 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047596276 754421528 /nfs/dbraw/zinc/42/15/28/754421528.db2.gz OXRCPIOMEAFKLY-RDBSUJKOSA-N 1 3 301.406 0.191 20 0 DCADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066963 754599072 /nfs/dbraw/zinc/59/90/72/754599072.db2.gz QMIGXRSTDXLIJT-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001114997429 754842042 /nfs/dbraw/zinc/84/20/42/754842042.db2.gz KSCHHAOWVJMXSM-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001114997429 754842045 /nfs/dbraw/zinc/84/20/45/754842045.db2.gz KSCHHAOWVJMXSM-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)=CCN1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887816 754948149 /nfs/dbraw/zinc/94/81/49/754948149.db2.gz MPCATCWHWGQEHN-CVEARBPZSA-N 1 3 309.454 0.846 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1)N(C)C ZINC001048889918 755000093 /nfs/dbraw/zinc/00/00/93/755000093.db2.gz BGBNLGHKBSGRSU-OWCLPIDISA-N 1 3 319.453 0.651 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1)N(C)C ZINC001048889918 755000096 /nfs/dbraw/zinc/00/00/96/755000096.db2.gz BGBNLGHKBSGRSU-OWCLPIDISA-N 1 3 319.453 0.651 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001049037916 755087346 /nfs/dbraw/zinc/08/73/46/755087346.db2.gz BQISDNDHLLEDLY-LXTVHRRPSA-N 1 3 324.469 0.227 20 0 DCADHO CC(C)(C(=O)NCC1CC([NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001100335376 755220222 /nfs/dbraw/zinc/22/02/22/755220222.db2.gz XLWHRZCSGBTQPZ-UHFFFAOYSA-N 1 3 310.442 0.221 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CCN2CCO ZINC001049615480 755336272 /nfs/dbraw/zinc/33/62/72/755336272.db2.gz KPCBLEHWBTULEI-BBWFWOEESA-N 1 3 321.465 0.918 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001064364505 755387763 /nfs/dbraw/zinc/38/77/63/755387763.db2.gz BSXZNQRMPNTLAD-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@H+](CCO)C3)C2)CCC1 ZINC001054145602 756384311 /nfs/dbraw/zinc/38/43/11/756384311.db2.gz SZFUQHZNVLXCBL-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@@H+](CCO)C3)C2)CCC1 ZINC001054145602 756384317 /nfs/dbraw/zinc/38/43/17/756384317.db2.gz SZFUQHZNVLXCBL-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205024 756405808 /nfs/dbraw/zinc/40/58/08/756405808.db2.gz IUMQPDGJTKYFRK-CJNGLKHVSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205024 756405810 /nfs/dbraw/zinc/40/58/10/756405810.db2.gz IUMQPDGJTKYFRK-CJNGLKHVSA-N 1 3 306.410 0.648 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCO)CC1 ZINC001097975720 756721794 /nfs/dbraw/zinc/72/17/94/756721794.db2.gz AIFASHPDLSROMT-OAGGEKHMSA-N 1 3 309.454 0.822 20 0 DCADHO CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccn2cncc2c1 ZINC001081900014 756849220 /nfs/dbraw/zinc/84/92/20/756849220.db2.gz WEUUZPKLTPOWOJ-KCPJHIHWSA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccn2cncc2c1 ZINC001081900014 756849225 /nfs/dbraw/zinc/84/92/25/756849225.db2.gz WEUUZPKLTPOWOJ-KCPJHIHWSA-N 1 3 318.377 0.144 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1cnn(C)c1 ZINC001082520566 757173471 /nfs/dbraw/zinc/17/34/71/757173471.db2.gz FGFIJKZXAJZAMC-RRCSTGOVSA-N 1 3 319.453 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1cnn(C)c1 ZINC001082520566 757173475 /nfs/dbraw/zinc/17/34/75/757173475.db2.gz FGFIJKZXAJZAMC-RRCSTGOVSA-N 1 3 319.453 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1cncn1C ZINC001082520716 757173940 /nfs/dbraw/zinc/17/39/40/757173940.db2.gz OWVSGTDQBQWWID-RRCSTGOVSA-N 1 3 319.453 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1cncn1C ZINC001082520716 757173941 /nfs/dbraw/zinc/17/39/41/757173941.db2.gz OWVSGTDQBQWWID-RRCSTGOVSA-N 1 3 319.453 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082557517 757185071 /nfs/dbraw/zinc/18/50/71/757185071.db2.gz KAIHTKFPOBCXKX-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001082822205 757288427 /nfs/dbraw/zinc/28/84/27/757288427.db2.gz QTNXRYQTFDMESW-HZSPNIEDSA-N 1 3 310.442 0.029 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001050233000 757520933 /nfs/dbraw/zinc/52/09/33/757520933.db2.gz AAVXLHWHMFXYGG-CABCVRRESA-N 1 3 322.453 0.189 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744318 757907576 /nfs/dbraw/zinc/90/75/76/757907576.db2.gz QCGYDRULWPTXIC-ZDUSSCGKSA-N 1 3 303.447 0.068 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+]([C@@H](CC)C(N)=O)CC2)N(C)C ZINC001050669326 757949709 /nfs/dbraw/zinc/94/97/09/757949709.db2.gz WZBPQWGCEQSYPT-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157730976 762637170 /nfs/dbraw/zinc/63/71/70/762637170.db2.gz QGGASWKFHITIMD-RDBSUJKOSA-N 1 3 303.422 0.661 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC1 ZINC001085380948 758849097 /nfs/dbraw/zinc/84/90/97/758849097.db2.gz ZVCYGMHVYSRHHT-HUUCEWRRSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCO1 ZINC001051722835 758895039 /nfs/dbraw/zinc/89/50/39/758895039.db2.gz WDJQMLHNNCYQIG-GWUWNPHMSA-N 1 3 323.437 0.075 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147823860 767852306 /nfs/dbraw/zinc/85/23/06/767852306.db2.gz FBBQMYSSWGKGBZ-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001147825666 767852786 /nfs/dbraw/zinc/85/27/86/767852786.db2.gz PYSXIVSQIDWYMF-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001147876968 767869416 /nfs/dbraw/zinc/86/94/16/767869416.db2.gz ASCBKTPGCMHFNO-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001147876968 767869422 /nfs/dbraw/zinc/86/94/22/767869422.db2.gz ASCBKTPGCMHFNO-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877923 767870369 /nfs/dbraw/zinc/87/03/69/767870369.db2.gz POCSIRLTPRWKDB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877923 767870376 /nfs/dbraw/zinc/87/03/76/767870376.db2.gz POCSIRLTPRWKDB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](CCO)CCCF)CC1)N(C)C ZINC001098404865 759679193 /nfs/dbraw/zinc/67/91/93/759679193.db2.gz WFYCSNXMOUAGTK-OAHLLOKOSA-N 1 3 317.449 0.972 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](CCO)CCCF)CC1)N(C)C ZINC001098404865 759679198 /nfs/dbraw/zinc/67/91/98/759679198.db2.gz WFYCSNXMOUAGTK-OAHLLOKOSA-N 1 3 317.449 0.972 20 0 DCADHO NC(=O)c1ccc(CNCCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001147970797 767889694 /nfs/dbraw/zinc/88/96/94/767889694.db2.gz PLFAWTPERWYOEA-UHFFFAOYSA-N 1 3 316.405 0.087 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999628 767893270 /nfs/dbraw/zinc/89/32/70/767893270.db2.gz AUKCVGBSKJDBNA-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO COCCN(C)Cc1ccnc(-n2nc(CC[NH3+])nc2C)c1 ZINC001168986049 760535748 /nfs/dbraw/zinc/53/57/48/760535748.db2.gz MCAZXEUREYZDTI-UHFFFAOYSA-N 1 3 304.398 0.550 20 0 DCADHO COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169107099 760593707 /nfs/dbraw/zinc/59/37/07/760593707.db2.gz CMPCZGYFRDKICT-LXFSFDBISA-N 1 3 323.437 0.754 20 0 DCADHO C[C@H](O)CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351525 767967495 /nfs/dbraw/zinc/96/74/95/767967495.db2.gz KUXCXUDKJZDMBX-ZDUSSCGKSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H](O)CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351525 767967498 /nfs/dbraw/zinc/96/74/98/767967498.db2.gz KUXCXUDKJZDMBX-ZDUSSCGKSA-N 1 3 306.410 0.648 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148365608 767974547 /nfs/dbraw/zinc/97/45/47/767974547.db2.gz URPJUXBRPLNJPS-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364832 761055427 /nfs/dbraw/zinc/05/54/27/761055427.db2.gz ZQBXBRGKANQNMB-CQSZACIVSA-N 1 3 315.458 0.210 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cncn1C ZINC001070690782 761398236 /nfs/dbraw/zinc/39/82/36/761398236.db2.gz NETVOVDKIGIHFT-MCIONIFRSA-N 1 3 307.442 0.664 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC[C@H](N4CC=CC4)C3)[C@H]2C1 ZINC001123801853 768059560 /nfs/dbraw/zinc/05/95/60/768059560.db2.gz HPNSXNDZGXQLTQ-VGWMRTNUSA-N 1 3 304.438 0.982 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC[C@H](N4CC=CC4)C3)[C@H]2C1 ZINC001123801853 768059564 /nfs/dbraw/zinc/05/95/64/768059564.db2.gz HPNSXNDZGXQLTQ-VGWMRTNUSA-N 1 3 304.438 0.982 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001086551870 761840513 /nfs/dbraw/zinc/84/05/13/761840513.db2.gz OFZOMNPWTMXPRT-BPUTZDHNSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001086551870 761840525 /nfs/dbraw/zinc/84/05/25/761840525.db2.gz OFZOMNPWTMXPRT-BPUTZDHNSA-N 1 3 317.437 0.721 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnns3)C2)C1 ZINC001086875266 768084911 /nfs/dbraw/zinc/08/49/11/768084911.db2.gz LVTIQCLNOYYAGD-YNEHKIRRSA-N 1 3 323.466 0.864 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnns3)C2)C1 ZINC001086875266 768084917 /nfs/dbraw/zinc/08/49/17/768084917.db2.gz LVTIQCLNOYYAGD-YNEHKIRRSA-N 1 3 323.466 0.864 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001129422098 762933911 /nfs/dbraw/zinc/93/39/11/762933911.db2.gz FMDDRQZOGDGMBS-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001129422098 762933920 /nfs/dbraw/zinc/93/39/20/762933920.db2.gz FMDDRQZOGDGMBS-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129855515 763024920 /nfs/dbraw/zinc/02/49/20/763024920.db2.gz GQQBSHJYKDVHFB-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129855515 763024924 /nfs/dbraw/zinc/02/49/24/763024924.db2.gz GQQBSHJYKDVHFB-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949974 763055506 /nfs/dbraw/zinc/05/55/06/763055506.db2.gz MSBCBRHPGLZSEH-KBPBESRZSA-N 1 3 314.474 0.439 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C)N(C)C ZINC001130201192 763185288 /nfs/dbraw/zinc/18/52/88/763185288.db2.gz XPDANGNKJKOLTA-ZIAGYGMSSA-N 1 3 303.447 0.066 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCC1)N(C)C ZINC001130200935 763185298 /nfs/dbraw/zinc/18/52/98/763185298.db2.gz QIWHGLFCXFPPIN-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001130709138 763448716 /nfs/dbraw/zinc/44/87/16/763448716.db2.gz VGPGXTMVASDBTA-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001130709138 763448719 /nfs/dbraw/zinc/44/87/19/763448719.db2.gz VGPGXTMVASDBTA-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001130711119 763451277 /nfs/dbraw/zinc/45/12/77/763451277.db2.gz OAGGGNBUODVHFC-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001130711119 763451281 /nfs/dbraw/zinc/45/12/81/763451281.db2.gz OAGGGNBUODVHFC-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2cncn2C)C1)N(C)C ZINC001100426638 763571749 /nfs/dbraw/zinc/57/17/49/763571749.db2.gz SOMGTGUDKKZJCO-XUJLQICISA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC(NCc2cnnn2C)C1)[NH+](C)C ZINC001100426384 763571793 /nfs/dbraw/zinc/57/17/93/763571793.db2.gz FOWISLCDULYCLC-PIMMBPRGSA-N 1 3 322.457 0.386 20 0 DCADHO CCn1nncc1CNC1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619964 763686779 /nfs/dbraw/zinc/68/67/79/763686779.db2.gz QJCRHYGSIUQHNJ-UHFFFAOYSA-N 1 3 322.457 0.624 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100674118 763715638 /nfs/dbraw/zinc/71/56/38/763715638.db2.gz NFGOUKGYTWMWMA-NFOMZHRRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nocc1CNC1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870588 763834182 /nfs/dbraw/zinc/83/41/82/763834182.db2.gz JUVBVACAMQPHIM-UHFFFAOYSA-N 1 3 324.425 0.546 20 0 DCADHO C[C@@H](Nc1nc(Cl)nc2c1CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001170563902 763841780 /nfs/dbraw/zinc/84/17/80/763841780.db2.gz OCYKVISCUBMRSH-SKDRFNHKSA-N 1 3 311.817 0.607 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001100900174 763846899 /nfs/dbraw/zinc/84/68/99/763846899.db2.gz UJMKNFVHTRHHMR-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001131790336 764014332 /nfs/dbraw/zinc/01/43/32/764014332.db2.gz LQERNSCFVLMDPM-WFASDCNBSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131791032 764015172 /nfs/dbraw/zinc/01/51/72/764015172.db2.gz ZOMYYLVVGUHEOW-OAHLLOKOSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](NCCNC(=O)CC[N@H+](C)C1CCCCC1)C(N)=O ZINC001131822919 764045196 /nfs/dbraw/zinc/04/51/96/764045196.db2.gz XWWRKZMPODXQGY-AWEZNQCLSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@H](NCCNC(=O)CC[N@@H+](C)C1CCCCC1)C(N)=O ZINC001131822919 764045203 /nfs/dbraw/zinc/04/52/03/764045203.db2.gz XWWRKZMPODXQGY-AWEZNQCLSA-N 1 3 312.458 0.611 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC(N)=O)CC1 ZINC001101522297 764131847 /nfs/dbraw/zinc/13/18/47/764131847.db2.gz UTACAPQTKFXFGJ-AWEZNQCLSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280324 764350651 /nfs/dbraw/zinc/35/06/51/764350651.db2.gz GYYRRINNJDPVBE-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO COCCN1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132425791 764453112 /nfs/dbraw/zinc/45/31/12/764453112.db2.gz MFEUMCPZQGECEL-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051777 764510994 /nfs/dbraw/zinc/51/09/94/764510994.db2.gz MHVPVTFYZKAQRZ-UMVBOHGHSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051777 764510999 /nfs/dbraw/zinc/51/09/99/764510999.db2.gz MHVPVTFYZKAQRZ-UMVBOHGHSA-N 1 3 324.469 0.419 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001102104298 764525168 /nfs/dbraw/zinc/52/51/68/764525168.db2.gz OGRVNEZMBFCIOI-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001102104298 764525180 /nfs/dbraw/zinc/52/51/80/764525180.db2.gz OGRVNEZMBFCIOI-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCN(CC)C2=O)C1 ZINC001132738370 764617320 /nfs/dbraw/zinc/61/73/20/764617320.db2.gz AECXVTUAJQMIFC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCN(CC)C2=O)C1 ZINC001132738370 764617321 /nfs/dbraw/zinc/61/73/21/764617321.db2.gz AECXVTUAJQMIFC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886628 764707452 /nfs/dbraw/zinc/70/74/52/764707452.db2.gz PLHPZACIHJPTCZ-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886628 764707456 /nfs/dbraw/zinc/70/74/56/764707456.db2.gz PLHPZACIHJPTCZ-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102601033 764719460 /nfs/dbraw/zinc/71/94/60/764719460.db2.gz HKBDKRSIECAVKB-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102601033 764719468 /nfs/dbraw/zinc/71/94/68/764719468.db2.gz HKBDKRSIECAVKB-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102601182 764721105 /nfs/dbraw/zinc/72/11/05/764721105.db2.gz PITXVBUTPUNLBH-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102601182 764721111 /nfs/dbraw/zinc/72/11/11/764721111.db2.gz PITXVBUTPUNLBH-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCc2cccc(C(N)=O)c2)CC1 ZINC001132993020 764780485 /nfs/dbraw/zinc/78/04/85/764780485.db2.gz JQPNSZAOATWSSY-UHFFFAOYSA-N 1 3 318.421 0.333 20 0 DCADHO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102781822 764814491 /nfs/dbraw/zinc/81/44/91/764814491.db2.gz CKOWCVGGMVBBHO-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102781822 764814494 /nfs/dbraw/zinc/81/44/94/764814494.db2.gz CKOWCVGGMVBBHO-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1nccn1C ZINC001133091595 764821808 /nfs/dbraw/zinc/82/18/08/764821808.db2.gz SOPHDEKNTAJNLI-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001133178370 764859405 /nfs/dbraw/zinc/85/94/05/764859405.db2.gz PGQULPKZMFBPDF-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)N1CCCCC1 ZINC001133285852 764905851 /nfs/dbraw/zinc/90/58/51/764905851.db2.gz LOJZRXRIHUPGQM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCC(C)CC1 ZINC001133291257 764908555 /nfs/dbraw/zinc/90/85/55/764908555.db2.gz NEABFIYQZRFHPK-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC1CCC(NC(=O)CNCCNC(=O)CC[NH+](C)C)CC1 ZINC001133291060 764908858 /nfs/dbraw/zinc/90/88/58/764908858.db2.gz JEEXPYYGBSLCQU-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001133418611 764958473 /nfs/dbraw/zinc/95/84/73/764958473.db2.gz AKUNXURYEWFCPB-CYBMUJFWSA-N 1 3 315.849 0.829 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434229 764967597 /nfs/dbraw/zinc/96/75/97/764967597.db2.gz MSBCBRHPGLZSEH-UONOGXRCSA-N 1 3 314.474 0.439 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751755 765118600 /nfs/dbraw/zinc/11/86/00/765118600.db2.gz OYVCMAPFRINKNX-HUUCEWRRSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001133823451 765152461 /nfs/dbraw/zinc/15/24/61/765152461.db2.gz GNYJBABIAIHERM-LSDHHAIUSA-N 1 3 313.442 0.372 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001133834041 765163847 /nfs/dbraw/zinc/16/38/47/765163847.db2.gz MKNOHCOLBFZYSD-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C)C1CC1 ZINC001133834041 765163849 /nfs/dbraw/zinc/16/38/49/765163849.db2.gz MKNOHCOLBFZYSD-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001133824129 765168348 /nfs/dbraw/zinc/16/83/48/765168348.db2.gz YIPOIJXXARALGV-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc3nonc3c2)C1 ZINC001133845478 765178775 /nfs/dbraw/zinc/17/87/75/765178775.db2.gz HCXBLVWUTXCSPL-GFCCVEGCSA-N 1 3 317.393 0.770 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001133845766 765179040 /nfs/dbraw/zinc/17/90/40/765179040.db2.gz MYRQOBYOGGLAHB-CYBMUJFWSA-N 1 3 318.421 0.333 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001133845766 765179044 /nfs/dbraw/zinc/17/90/44/765179044.db2.gz MYRQOBYOGGLAHB-CYBMUJFWSA-N 1 3 318.421 0.333 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001133846346 765180630 /nfs/dbraw/zinc/18/06/30/765180630.db2.gz ZEWVJRJQJPIDBE-CYBMUJFWSA-N 1 3 307.442 0.548 20 0 DCADHO COc1coc(CNCCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1=O ZINC001133850088 765182515 /nfs/dbraw/zinc/18/25/15/765182515.db2.gz IULYINLFCARUQR-LBPRGKRZSA-N 1 3 323.393 0.196 20 0 DCADHO COc1coc(CNCCNC(=O)C[N@H+]2CC[C@H](C)C2)cc1=O ZINC001133850088 765182519 /nfs/dbraw/zinc/18/25/19/765182519.db2.gz IULYINLFCARUQR-LBPRGKRZSA-N 1 3 323.393 0.196 20 0 DCADHO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C)c1nccn12 ZINC001092355700 768271785 /nfs/dbraw/zinc/27/17/85/768271785.db2.gz YRKIAWAPLBKILT-KGLIPLIRSA-N 1 3 317.437 0.959 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(=O)NC1CC1 ZINC001133897046 765215685 /nfs/dbraw/zinc/21/56/85/765215685.db2.gz WXRPIKSNHAPFLB-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CCn1cncn1)NC(=O)C1(N(C)C)CCC1 ZINC001134584175 765580393 /nfs/dbraw/zinc/58/03/93/765580393.db2.gz RHXFNQGCJZJXKO-ZIAGYGMSSA-N 1 3 322.457 0.635 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN(C)C1CCC1 ZINC001134612946 765589852 /nfs/dbraw/zinc/58/98/52/765589852.db2.gz RBVOKWLGKAWQTB-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO COCCOCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134763166 765659567 /nfs/dbraw/zinc/65/95/67/765659567.db2.gz OJPIWFKWNZLBHX-HNNXBMFYSA-N 1 3 315.458 0.618 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC1CCCCC1 ZINC001124867772 768318472 /nfs/dbraw/zinc/31/84/72/768318472.db2.gz YYKLJCVFQAPVIE-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095759 765795667 /nfs/dbraw/zinc/79/56/67/765795667.db2.gz PYRNXSDXTMZAFW-HOTGVXAUSA-N 1 3 319.453 0.951 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095759 765795672 /nfs/dbraw/zinc/79/56/72/765795672.db2.gz PYRNXSDXTMZAFW-HOTGVXAUSA-N 1 3 319.453 0.951 20 0 DCADHO CON(C)C(=O)[C@@H]1CCc2cc(N[C@H](N)CCC[NH3+])ccc2O1 ZINC001170903457 766251976 /nfs/dbraw/zinc/25/19/76/766251976.db2.gz JYLIENOCEGFMNH-GJZGRUSLSA-N 1 3 322.409 0.836 20 0 DCADHO CCN1CCN(CCC[NH2+][C@H]2CCCS(=O)(=O)CC2)CC1 ZINC001119237436 766604589 /nfs/dbraw/zinc/60/45/89/766604589.db2.gz GCHSXMKQLKILDP-HNNXBMFYSA-N 1 3 317.499 0.571 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119358962 766644643 /nfs/dbraw/zinc/64/46/43/766644643.db2.gz CSNFMMCAIMXFJL-JHJVBQTASA-N 1 3 310.442 0.077 20 0 DCADHO CCn1nncc1CNCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171215381 767018537 /nfs/dbraw/zinc/01/85/37/767018537.db2.gz BMVPUNWQBFMBNN-ZDUSSCGKSA-N 1 3 308.430 0.236 20 0 DCADHO CCn1nncc1CNCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171215381 767018547 /nfs/dbraw/zinc/01/85/47/767018547.db2.gz BMVPUNWQBFMBNN-ZDUSSCGKSA-N 1 3 308.430 0.236 20 0 DCADHO Cc1cc(CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001091365208 767213702 /nfs/dbraw/zinc/21/37/02/767213702.db2.gz SPFXNGDKXIXTJB-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001091365208 767213705 /nfs/dbraw/zinc/21/37/05/767213705.db2.gz SPFXNGDKXIXTJB-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CC3CCC3)C[C@H]2O)CCC1 ZINC001099875163 767391103 /nfs/dbraw/zinc/39/11/03/767391103.db2.gz WZIOAAXTMHQQDU-LSDHHAIUSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)C[C@H]2O)CCC1 ZINC001099875163 767391114 /nfs/dbraw/zinc/39/11/14/767391114.db2.gz WZIOAAXTMHQQDU-LSDHHAIUSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595330 767487015 /nfs/dbraw/zinc/48/70/15/767487015.db2.gz YOWPULPFMLKEAZ-KGLIPLIRSA-N 1 3 314.474 0.724 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C(C)C ZINC001146711504 767509207 /nfs/dbraw/zinc/50/92/07/767509207.db2.gz UCJTXTDKBJRORX-CYBMUJFWSA-N 1 3 300.447 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C(C)C ZINC001146711504 767509213 /nfs/dbraw/zinc/50/92/13/767509213.db2.gz UCJTXTDKBJRORX-CYBMUJFWSA-N 1 3 300.447 0.289 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294019 767640795 /nfs/dbraw/zinc/64/07/95/767640795.db2.gz PNBNXCCOCQWCMZ-UHFFFAOYSA-N 1 3 303.410 0.477 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001121917514 767668043 /nfs/dbraw/zinc/66/80/43/767668043.db2.gz UVYDKUCACNWOAC-KEYYUXOJSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(=O)NC)C2 ZINC001121935338 767673208 /nfs/dbraw/zinc/67/32/08/767673208.db2.gz NPYBDUZQINAXBH-VZHDMLGISA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC1CC([NH3+])C1 ZINC001121996675 767692721 /nfs/dbraw/zinc/69/27/21/767692721.db2.gz KLWYMPSREQSWEE-RUXDESIVSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(NCCCNCc1ccc(F)cn1)C12CC[NH+](CC1)C2 ZINC001171303304 767738937 /nfs/dbraw/zinc/73/89/37/767738937.db2.gz FNEVHQYCWBHEKV-UHFFFAOYSA-N 1 3 306.385 0.912 20 0 DCADHO CN1CCN(C)CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC001122378128 767787081 /nfs/dbraw/zinc/78/70/81/767787081.db2.gz UBUNTCYSUFBALJ-MRXNPFEDSA-N 1 3 304.438 0.782 20 0 DCADHO Cc1cc(CNCCCNC(=O)C23CC[NH+](CC2)C3)nn1C ZINC001171312331 767799387 /nfs/dbraw/zinc/79/93/87/767799387.db2.gz ZTZVWLGOJQSITR-UHFFFAOYSA-N 1 3 305.426 0.420 20 0 DCADHO O=C1CC[C@H](CN2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)N1 ZINC001202819989 768410592 /nfs/dbraw/zinc/41/05/92/768410592.db2.gz AMKQYQQCCYXFFS-BZUAXINKSA-N 1 3 300.406 0.724 20 0 DCADHO O=C1CC[C@H](CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)N1 ZINC001202830672 768415650 /nfs/dbraw/zinc/41/56/50/768415650.db2.gz DUFKKZYCIOYCGR-IJEWVQPXSA-N 1 3 300.406 0.724 20 0 DCADHO O=C1CC[C@H](CN2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)N1 ZINC001202830672 768415652 /nfs/dbraw/zinc/41/56/52/768415652.db2.gz DUFKKZYCIOYCGR-IJEWVQPXSA-N 1 3 300.406 0.724 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC1=CC[N@H+](CCCO)CC1 ZINC001161206367 768512280 /nfs/dbraw/zinc/51/22/80/768512280.db2.gz IVBDWKFIXTVQAR-HNNXBMFYSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC1=CC[N@@H+](CCCO)CC1 ZINC001161206367 768512285 /nfs/dbraw/zinc/51/22/85/768512285.db2.gz IVBDWKFIXTVQAR-HNNXBMFYSA-N 1 3 309.454 0.992 20 0 DCADHO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)cn2)CC1 ZINC001232360742 769310005 /nfs/dbraw/zinc/31/00/05/769310005.db2.gz NETFDSYRLILQII-CVEARBPZSA-N 1 3 320.437 0.009 20 0 DCADHO CN1CCN(c2ccc(C[N@H+]3CC[C@H](CO)[C@@H](O)C3)cn2)CC1 ZINC001232360742 769310016 /nfs/dbraw/zinc/31/00/16/769310016.db2.gz NETFDSYRLILQII-CVEARBPZSA-N 1 3 320.437 0.009 20 0 DCADHO COCCC1(NC(=O)CN(C)C(C)C)CC[NH+](CCO)CC1 ZINC001151415514 769334444 /nfs/dbraw/zinc/33/44/44/769334444.db2.gz WSPUKISQEBREQH-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO C[NH+](C)CCCN1CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172179118 769454359 /nfs/dbraw/zinc/45/43/59/769454359.db2.gz KHAYLNIRHTWFKI-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152149186 769491318 /nfs/dbraw/zinc/49/13/18/769491318.db2.gz WDPYRTAKWXACHV-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152238166 769514581 /nfs/dbraw/zinc/51/45/81/769514581.db2.gz ZQJPOFQHICOPFV-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)NCCNCC(=O)N1CCC1 ZINC001152393615 769547214 /nfs/dbraw/zinc/54/72/14/769547214.db2.gz RFYPYWBTHQHYHJ-UHFFFAOYSA-N 1 3 318.421 0.300 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001152432162 769553240 /nfs/dbraw/zinc/55/32/40/769553240.db2.gz HXBRMMUYDKZITM-CYBMUJFWSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001152432092 769554590 /nfs/dbraw/zinc/55/45/90/769554590.db2.gz FMBYORLQKIRDKV-CQSZACIVSA-N 1 3 301.431 0.228 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001152457109 769564468 /nfs/dbraw/zinc/56/44/68/769564468.db2.gz BTBJJGYYOQKKIE-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCn1cc(Cl)cn1 ZINC001174690238 769779763 /nfs/dbraw/zinc/77/97/63/769779763.db2.gz CZOZVWQTKXGAAL-UHFFFAOYSA-N 1 3 324.816 0.907 20 0 DCADHO COC(=O)C[C@@H]1CNCC[N@@H+]1C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235844718 769950217 /nfs/dbraw/zinc/95/02/17/769950217.db2.gz AWKLKXYAQUMIDT-TUAOUCFPSA-N 1 3 305.369 0.314 20 0 DCADHO COC(=O)C[C@@H]1CNCC[N@H+]1C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235844718 769950226 /nfs/dbraw/zinc/95/02/26/769950226.db2.gz AWKLKXYAQUMIDT-TUAOUCFPSA-N 1 3 305.369 0.314 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC ZINC001176277363 770059522 /nfs/dbraw/zinc/05/95/22/770059522.db2.gz DCDOMKYKJUHVFN-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO NCCS(=O)(=O)NC1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC001238853323 770138538 /nfs/dbraw/zinc/13/85/38/770138538.db2.gz SCZFFLFMOWECQU-UHFFFAOYSA-N 1 3 315.414 0.369 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCNC1=O ZINC001176754650 770168399 /nfs/dbraw/zinc/16/83/99/770168399.db2.gz XMQNHPXUXXAXEX-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)c1 ZINC001176890105 770211852 /nfs/dbraw/zinc/21/18/52/770211852.db2.gz MWXHOKGNGPYASW-OAHLLOKOSA-N 1 3 318.421 0.346 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930525 770231405 /nfs/dbraw/zinc/23/14/05/770231405.db2.gz KRNQAURPHBSFPG-UHFFFAOYSA-N 1 3 308.430 0.287 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N(C)C(C)C ZINC001176971580 770263414 /nfs/dbraw/zinc/26/34/14/770263414.db2.gz DOMLOKJMEKTTJT-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001176986242 770272114 /nfs/dbraw/zinc/27/21/14/770272114.db2.gz ITMUDUHYZPSMMH-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986765 770273312 /nfs/dbraw/zinc/27/33/12/770273312.db2.gz VNYOLVCAVONQBP-KBPBESRZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](O)COC)N(C)C ZINC001155289106 770462221 /nfs/dbraw/zinc/46/22/21/770462221.db2.gz JXYKRWGRXVKGHK-MCIONIFRSA-N 1 3 303.447 0.161 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](O)COC)N(C)C ZINC001155289106 770462227 /nfs/dbraw/zinc/46/22/27/770462227.db2.gz JXYKRWGRXVKGHK-MCIONIFRSA-N 1 3 303.447 0.161 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC001178805239 770869240 /nfs/dbraw/zinc/86/92/40/770869240.db2.gz FJYGZWAYQKKUBY-CYBMUJFWSA-N 1 3 303.366 0.965 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902324 770898348 /nfs/dbraw/zinc/89/83/48/770898348.db2.gz LFACZBLWIMDUTF-QEJZJMRPSA-N 1 3 313.442 0.057 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(=O)N(C)C ZINC001179439173 771005435 /nfs/dbraw/zinc/00/54/35/771005435.db2.gz INMIMHPHLLPADS-RDBSUJKOSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]1C ZINC001179744353 771009833 /nfs/dbraw/zinc/00/98/33/771009833.db2.gz MPVMQPQWHLJNOF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179850831 771023561 /nfs/dbraw/zinc/02/35/61/771023561.db2.gz NKHUSCPVFNVWRM-UHFFFAOYSA-N 1 3 314.474 0.731 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001179979377 771042156 /nfs/dbraw/zinc/04/21/56/771042156.db2.gz UYITWCGRUVYQDW-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001179979377 771042159 /nfs/dbraw/zinc/04/21/59/771042159.db2.gz UYITWCGRUVYQDW-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)[C@@H]1C ZINC001179978654 771042910 /nfs/dbraw/zinc/04/29/10/771042910.db2.gz GXFSWQYYMZREJM-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)[C@@H]1C ZINC001179978654 771042912 /nfs/dbraw/zinc/04/29/12/771042912.db2.gz GXFSWQYYMZREJM-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001179968626 771049264 /nfs/dbraw/zinc/04/92/64/771049264.db2.gz WSNPZDBLMFMCHS-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001180226882 771077802 /nfs/dbraw/zinc/07/78/02/771077802.db2.gz RLLYCHOHYKMBRO-IPYPFGDCSA-N 1 3 324.469 0.573 20 0 DCADHO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001181736747 771346940 /nfs/dbraw/zinc/34/69/40/771346940.db2.gz UUUDYLWGGKWWGR-PBFPGSCMSA-N 1 3 324.469 0.419 20 0 DCADHO CN1CCN(C(=O)[C@@H](N)CCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC001157496572 771621120 /nfs/dbraw/zinc/62/11/20/771621120.db2.gz YFNBKGFTXXHXPW-JKSUJKDBSA-N 1 3 304.438 0.958 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CCC1 ZINC001183229243 771622494 /nfs/dbraw/zinc/62/24/94/771622494.db2.gz GHAAVIHHEHMZNS-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240661 771627779 /nfs/dbraw/zinc/62/77/79/771627779.db2.gz OXRAWLWQBGYTRM-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240661 771627783 /nfs/dbraw/zinc/62/77/83/771627783.db2.gz OXRAWLWQBGYTRM-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001157579309 771635676 /nfs/dbraw/zinc/63/56/76/771635676.db2.gz LMCAMHFFVRWAEF-HIFRSBDPSA-N 1 3 315.417 0.820 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1)[NH+](C)C ZINC001183436201 771650299 /nfs/dbraw/zinc/65/02/99/771650299.db2.gz KMHHDLYEZQUYLK-CJNGLKHVSA-N 1 3 324.469 0.384 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001157716127 771657710 /nfs/dbraw/zinc/65/77/10/771657710.db2.gz KZFVHWJTNXDTBF-OAGGEKHMSA-N 1 3 303.406 0.784 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158031779 771717077 /nfs/dbraw/zinc/71/70/77/771717077.db2.gz OFDSURFJSJPWLA-NVXWUHKLSA-N 1 3 308.470 0.662 20 0 DCADHO CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158074219 771722192 /nfs/dbraw/zinc/72/21/92/771722192.db2.gz VMSKIKKDJQWQCM-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082789 771723659 /nfs/dbraw/zinc/72/36/59/771723659.db2.gz RLFOGVQCETWTDJ-ZDUSSCGKSA-N 1 3 310.442 0.206 20 0 DCADHO O=C(N1CCC2(C[C@H]2CCO)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158109422 771727028 /nfs/dbraw/zinc/72/70/28/771727028.db2.gz CAXYUUUZYTWXOD-CKEIUWERSA-N 1 3 307.438 0.197 20 0 DCADHO O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161269 771731868 /nfs/dbraw/zinc/73/18/68/771731868.db2.gz ORZRMXDOXNFAGB-HYVNUMGLSA-N 1 3 307.438 0.890 20 0 DCADHO O=C(C[C@@H]1Cc2ccccc2CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168773 771733701 /nfs/dbraw/zinc/73/37/01/771733701.db2.gz ZVEGHYPMXUFKRE-IXDOHACOSA-N 1 3 315.417 0.538 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)nn1C ZINC001158196554 771739141 /nfs/dbraw/zinc/73/91/41/771739141.db2.gz NHMJZWXMUMWJIJ-MRXNPFEDSA-N 1 3 319.453 0.666 20 0 DCADHO Cc1nc2c([nH]1)CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001158339033 771761698 /nfs/dbraw/zinc/76/16/98/771761698.db2.gz JIHIHTYUMZUTJQ-HNNXBMFYSA-N 1 3 317.437 0.520 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422156 771772209 /nfs/dbraw/zinc/77/22/09/771772209.db2.gz IDJFVEZVKYKXKH-HRCADAONSA-N 1 3 303.406 0.883 20 0 DCADHO NCc1ccc(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cn1 ZINC001158546793 771787885 /nfs/dbraw/zinc/78/78/85/771787885.db2.gz MDJYKNTWPYUSFP-JGGQBBKZSA-N 1 3 302.378 0.133 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184713709 771816653 /nfs/dbraw/zinc/81/66/53/771816653.db2.gz TZEZCSNAPFPRNG-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001184953929 771846187 /nfs/dbraw/zinc/84/61/87/771846187.db2.gz LNDRKEQGBZMYEX-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNCc1ccn(C)n1 ZINC001185073991 771863679 /nfs/dbraw/zinc/86/36/79/771863679.db2.gz WOTUNLXRWCKGAW-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265084 771895607 /nfs/dbraw/zinc/89/56/07/771895607.db2.gz LTHFYYSDNFBFET-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185400615 771911814 /nfs/dbraw/zinc/91/18/14/771911814.db2.gz FPGBGBRBVOQQQW-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCCNCc2nccn2C)C1 ZINC001159845783 771967544 /nfs/dbraw/zinc/96/75/44/771967544.db2.gz GVNURJFKRBBVMO-HNNXBMFYSA-N 1 3 321.469 0.994 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCCNCc2nccn2C)C1 ZINC001159845783 771967547 /nfs/dbraw/zinc/96/75/47/771967547.db2.gz GVNURJFKRBBVMO-HNNXBMFYSA-N 1 3 321.469 0.994 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159914114 771975752 /nfs/dbraw/zinc/97/57/52/771975752.db2.gz AHBOIEGNGPGAQQ-CQSZACIVSA-N 1 3 308.430 0.234 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCc1ccnn1C)C1CC1 ZINC001159923025 771977183 /nfs/dbraw/zinc/97/71/83/771977183.db2.gz CFQRLLKNNNKXRG-HNNXBMFYSA-N 1 3 307.442 0.399 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)CN(C)C2CCC2)C1=O ZINC001160003131 771986692 /nfs/dbraw/zinc/98/66/92/771986692.db2.gz DPVZRIOUELXLDR-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001160003425 771987091 /nfs/dbraw/zinc/98/70/91/771987091.db2.gz NZJMILKCRNEVKO-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO Cc1ccc(N(C(=O)[C@@H](C)N)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054306 771992139 /nfs/dbraw/zinc/99/21/39/771992139.db2.gz YYRHYGZSVQHGNS-IOASZLSFSA-N 1 3 319.409 0.376 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001160451409 772041350 /nfs/dbraw/zinc/04/13/50/772041350.db2.gz ODQSRLYLTMDHHN-CABCVRRESA-N 1 3 324.469 0.694 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001186488683 772045873 /nfs/dbraw/zinc/04/58/73/772045873.db2.gz RNLXKQRVUSCGAK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001186458481 772047139 /nfs/dbraw/zinc/04/71/39/772047139.db2.gz NOZONQXZOGNJCP-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CCC(=O)O2)CC1 ZINC001160575774 772069033 /nfs/dbraw/zinc/06/90/33/772069033.db2.gz IKROXFBUKGNORI-ZDUSSCGKSA-N 1 3 321.421 0.559 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CCC(=O)O2)CC1 ZINC001160575774 772069040 /nfs/dbraw/zinc/06/90/40/772069040.db2.gz IKROXFBUKGNORI-ZDUSSCGKSA-N 1 3 321.421 0.559 20 0 DCADHO Cc1ccnc(N2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)c1 ZINC001160603585 772077008 /nfs/dbraw/zinc/07/70/08/772077008.db2.gz XSINXOYUCCOSEZ-ZDUSSCGKSA-N 1 3 323.466 0.058 20 0 DCADHO CCc1noc([C@@H]2CCCN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)n1 ZINC001160741022 772104568 /nfs/dbraw/zinc/10/45/68/772104568.db2.gz DYPZGGSKDNZZMX-TZMCWYRMSA-N 1 3 321.425 0.665 20 0 DCADHO CCOC(=O)c1coc2c1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160761223 772107849 /nfs/dbraw/zinc/10/78/49/772107849.db2.gz DTSQJBIILYTLJP-AWEZNQCLSA-N 1 3 321.377 0.625 20 0 DCADHO Cn1ccc(CNCCCNC(=O)C23CCC[NH+](CCC2)C3)n1 ZINC001160834435 772118385 /nfs/dbraw/zinc/11/83/85/772118385.db2.gz KQAXQVCVCFYUFK-UHFFFAOYSA-N 1 3 319.453 0.892 20 0 DCADHO COc1cccnc1N1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160847135 772121811 /nfs/dbraw/zinc/12/18/11/772121811.db2.gz YKDLFJRWYOHGAB-ZDUSSCGKSA-N 1 3 321.425 0.195 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001160874907 772130752 /nfs/dbraw/zinc/13/07/52/772130752.db2.gz HIQBKWHPVJFFOF-GJZGRUSLSA-N 1 3 323.462 0.476 20 0 DCADHO Cc1ccncc1CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115211 772133212 /nfs/dbraw/zinc/13/32/12/772133212.db2.gz GFNSRKUZFYVTRL-MRXNPFEDSA-N 1 3 320.437 0.659 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001187328850 772166806 /nfs/dbraw/zinc/16/68/06/772166806.db2.gz LWROEVPRMKOKTO-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN(C)C(=O)[C@@]1(N)CCC[NH2+]C1)Cc1ccccc1 ZINC001161161703 772179241 /nfs/dbraw/zinc/17/92/41/772179241.db2.gz XUJRJNZLWOJAGI-QGZVFWFLSA-N 1 3 304.438 0.658 20 0 DCADHO O=C(c1[nH]nc2c1CNC2)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161215889 772185503 /nfs/dbraw/zinc/18/55/03/772185503.db2.gz GCRXRFWLSARIHY-UHFFFAOYSA-N 1 3 303.410 0.865 20 0 DCADHO Cc1cnccc1O[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161387898 772215839 /nfs/dbraw/zinc/21/58/39/772215839.db2.gz UUQLVBHEVSBGDP-ZIAGYGMSSA-N 1 3 316.405 0.179 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414039 772219597 /nfs/dbraw/zinc/21/95/97/772219597.db2.gz SKJVCUKSOPXBHW-QNWHQSFQSA-N 1 3 311.426 0.631 20 0 DCADHO CN(C)CCN(C(=O)Cc1cccc(N)n1)[C@@H]1CCC[NH2+]C1 ZINC001161442779 772223882 /nfs/dbraw/zinc/22/38/82/772223882.db2.gz GRMQZDXGSRPZIZ-CQSZACIVSA-N 1 3 305.426 0.349 20 0 DCADHO CN(C)CCN(C(=O)[C@]1(C)CC(F)(F)CN1)[C@H]1CCC[NH2+]C1 ZINC001161444052 772224373 /nfs/dbraw/zinc/22/43/73/772224373.db2.gz AYRXWCLYESNDNM-JSGCOSHPSA-N 1 3 318.412 0.516 20 0 DCADHO CN(C)CCN(C(=O)[C@H]1CCC(F)(F)CN1)[C@H]1CCC[NH2+]C1 ZINC001161444145 772224509 /nfs/dbraw/zinc/22/45/09/772224509.db2.gz CQLWSJJIEXQNOE-QWHCGFSZSA-N 1 3 318.412 0.516 20 0 DCADHO CO[C@@H]1CN(C(=O)[C@@H](N)CSCc2ccc(C)cc2)C[C@@H]1[NH3+] ZINC001161493138 772233809 /nfs/dbraw/zinc/23/38/09/772233809.db2.gz DHIRKZKZXQOLHT-SOUVJXGZSA-N 1 3 323.462 0.740 20 0 DCADHO COCCOC1CN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001161572327 772247626 /nfs/dbraw/zinc/24/76/26/772247626.db2.gz KAVFZUYXGQEOTJ-AWEZNQCLSA-N 1 3 301.431 0.356 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001188165144 772273698 /nfs/dbraw/zinc/27/36/98/772273698.db2.gz GNESJDCSUQWVRO-TZMCWYRMSA-N 1 3 310.442 0.184 20 0 DCADHO COC(=O)c1c[nH]c2ncnc(NC[C@H]3C[NH2+]CC(C)(C)O3)c12 ZINC001161956484 772307212 /nfs/dbraw/zinc/30/72/12/772307212.db2.gz RLPJHAGEZNLCBL-SECBINFHSA-N 1 3 319.365 0.875 20 0 DCADHO CC[C@H](C(=O)NCC1(COC)CC[NH+](CCO)CC1)N(C)C ZINC001162320087 772359848 /nfs/dbraw/zinc/35/98/48/772359848.db2.gz HAYNVSAGPHRMAP-CQSZACIVSA-N 1 3 315.458 0.164 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001188971580 772393309 /nfs/dbraw/zinc/39/33/09/772393309.db2.gz WYIQDJQVMKIJND-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001189054538 772408824 /nfs/dbraw/zinc/40/88/24/772408824.db2.gz FCBHSDMVXWWBBB-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO COCCOCCN1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054230 772408848 /nfs/dbraw/zinc/40/88/48/772408848.db2.gz AFVYDKDEWSBALO-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO CC(C)CC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162852283 772425839 /nfs/dbraw/zinc/42/58/39/772425839.db2.gz XXYWJXJUDLPQNE-ISXOHVOVSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001205462477 772519348 /nfs/dbraw/zinc/51/93/48/772519348.db2.gz ZFWPGRYABXABQZ-SMDDNHRTSA-N 1 3 310.442 0.029 20 0 DCADHO CCN1CCN(Cc2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC001190866590 772689769 /nfs/dbraw/zinc/68/97/69/772689769.db2.gz RQDBBLAEDFYJMC-KRWDZBQOSA-N 1 3 316.449 0.916 20 0 DCADHO COCCCN1CCN(c2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001165097883 772694438 /nfs/dbraw/zinc/69/44/38/772694438.db2.gz WHFJVBVIFLFXAF-UHFFFAOYSA-N 1 3 319.453 0.650 20 0 DCADHO Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001165269665 772713855 /nfs/dbraw/zinc/71/38/55/772713855.db2.gz RAHXHVMWMWDPNW-KBPBESRZSA-N 1 3 303.410 0.952 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001165501127 772743428 /nfs/dbraw/zinc/74/34/28/772743428.db2.gz AUKFXNJQWODMOK-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1nccs1 ZINC001165794330 772763365 /nfs/dbraw/zinc/76/33/65/772763365.db2.gz SGHYQVNJODLMSP-UHFFFAOYSA-N 1 3 313.427 0.129 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001166627615 772831291 /nfs/dbraw/zinc/83/12/91/772831291.db2.gz XPECCGPJTAOEJC-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001166676761 772838211 /nfs/dbraw/zinc/83/82/11/772838211.db2.gz BWOLGUNTQDZOKD-QWHCGFSZSA-N 1 3 319.396 0.848 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001166677912 772839427 /nfs/dbraw/zinc/83/94/27/772839427.db2.gz PZRJXFILCATORC-KGLIPLIRSA-N 1 3 320.441 0.203 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001166677833 772839570 /nfs/dbraw/zinc/83/95/70/772839570.db2.gz NYQPOVVJXUENAV-CYBMUJFWSA-N 1 3 322.457 0.333 20 0 DCADHO CNC(=O)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166686661 772840542 /nfs/dbraw/zinc/84/05/42/772840542.db2.gz BFJHKJOHMJUCRX-HNNXBMFYSA-N 1 3 316.421 0.041 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001166709195 772846488 /nfs/dbraw/zinc/84/64/88/772846488.db2.gz YAFBVUYBPUHLSS-UKRRQHHQSA-N 1 3 320.437 0.884 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001166709195 772846490 /nfs/dbraw/zinc/84/64/90/772846490.db2.gz YAFBVUYBPUHLSS-UKRRQHHQSA-N 1 3 320.437 0.884 20 0 DCADHO COCCOCCN(C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192048458 772856246 /nfs/dbraw/zinc/85/62/46/772856246.db2.gz YRPCLBYIAMCEMV-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203640657 772917104 /nfs/dbraw/zinc/91/71/04/772917104.db2.gz GFSDOHZQINJBLO-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC)C12CCC2 ZINC001203651860 772917986 /nfs/dbraw/zinc/91/79/86/772917986.db2.gz QEXJDVJZBGHEBL-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC001203902213 772929107 /nfs/dbraw/zinc/92/91/07/772929107.db2.gz DDXUWNVFYHUKCX-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001205457928 772993794 /nfs/dbraw/zinc/99/37/94/772993794.db2.gz XOPUDXNTNLYPQM-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(-n3cncn3)cc2)C1 ZINC001205680813 773006207 /nfs/dbraw/zinc/00/62/07/773006207.db2.gz BDJWHNFLFQBBJC-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC001205680813 773006211 /nfs/dbraw/zinc/00/62/11/773006211.db2.gz BDJWHNFLFQBBJC-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC001205680813 773006214 /nfs/dbraw/zinc/00/62/14/773006214.db2.gz BDJWHNFLFQBBJC-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO c1cc(-c2noc(CO[C@@H]3CC[NH2+]C3)n2)nc2c1CNCC2 ZINC001205885004 773030600 /nfs/dbraw/zinc/03/06/00/773030600.db2.gz KEFPSYVZKLOVKQ-LLVKDONJSA-N 1 3 301.350 0.656 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCn2cncn2)CC1)N(C)C ZINC001206301289 773064588 /nfs/dbraw/zinc/06/45/88/773064588.db2.gz MSFGNWLBRJMOMY-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001206890169 773121911 /nfs/dbraw/zinc/12/19/11/773121911.db2.gz CRLNAITWUGCTTH-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)N(C)C ZINC001193929928 773123172 /nfs/dbraw/zinc/12/31/72/773123172.db2.gz QBMPILCLGLGVFJ-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)N(C)C ZINC001193929928 773123173 /nfs/dbraw/zinc/12/31/73/773123173.db2.gz QBMPILCLGLGVFJ-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)C(=O)N(C)C ZINC001206929160 773137343 /nfs/dbraw/zinc/13/73/43/773137343.db2.gz XDNOGFQAVSQCRA-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001206952200 773146454 /nfs/dbraw/zinc/14/64/54/773146454.db2.gz CPKOFQAOWRIUHL-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152146342 773265445 /nfs/dbraw/zinc/26/54/45/773265445.db2.gz ILESQVISDRFGKI-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152146342 773265446 /nfs/dbraw/zinc/26/54/46/773265446.db2.gz ILESQVISDRFGKI-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207684443 773269301 /nfs/dbraw/zinc/26/93/01/773269301.db2.gz OEWIVTXNSQARRO-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@H](C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)C1 ZINC001208605553 773504890 /nfs/dbraw/zinc/50/48/90/773504890.db2.gz ANRPWXMWNCJFOM-YLFCFFPRSA-N 1 3 321.465 0.944 20 0 DCADHO CN1CCC[C@H](C[N@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)C1 ZINC001208605553 773504895 /nfs/dbraw/zinc/50/48/95/773504895.db2.gz ANRPWXMWNCJFOM-YLFCFFPRSA-N 1 3 321.465 0.944 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3C[C@H]2CCCN(C)C2)cn1 ZINC001208615414 773506141 /nfs/dbraw/zinc/50/61/41/773506141.db2.gz WTDUACLOWRTMEQ-NUEKZKHPSA-N 1 3 317.437 0.942 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@H+]3C[C@H]2CCCN(C)C2)cn1 ZINC001208615414 773506145 /nfs/dbraw/zinc/50/61/45/773506145.db2.gz WTDUACLOWRTMEQ-NUEKZKHPSA-N 1 3 317.437 0.942 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001209418505 773603926 /nfs/dbraw/zinc/60/39/26/773603926.db2.gz DRKZZZHVYYRZNJ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631209 773626974 /nfs/dbraw/zinc/62/69/74/773626974.db2.gz DEDPIVMKYMNJEO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209642885 773629394 /nfs/dbraw/zinc/62/93/94/773629394.db2.gz PZFTVZJSTMZNCD-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661631 773631749 /nfs/dbraw/zinc/63/17/49/773631749.db2.gz YFWWALCTWFNWNA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001210217388 773685867 /nfs/dbraw/zinc/68/58/67/773685867.db2.gz HWUFIVQVLRHUNE-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001210217446 773686229 /nfs/dbraw/zinc/68/62/29/773686229.db2.gz IHXHWJNQIOMGDT-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001210219978 773687355 /nfs/dbraw/zinc/68/73/55/773687355.db2.gz VYLKJECVHMEBFJ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001210219907 773687531 /nfs/dbraw/zinc/68/75/31/773687531.db2.gz VFPFRNCWHLQDGW-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428065 773708540 /nfs/dbraw/zinc/70/85/40/773708540.db2.gz LUKSPQFNQFHHNA-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673679 773728997 /nfs/dbraw/zinc/72/89/97/773728997.db2.gz GBDSLSJNQDMYNV-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673679 773728999 /nfs/dbraw/zinc/72/89/99/773728999.db2.gz GBDSLSJNQDMYNV-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001210751460 773735652 /nfs/dbraw/zinc/73/56/52/773735652.db2.gz YVDZCODRUHYUHI-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001210811369 773741754 /nfs/dbraw/zinc/74/17/54/773741754.db2.gz MYDAWJVDANIVIR-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211063998 773765352 /nfs/dbraw/zinc/76/53/52/773765352.db2.gz GBVQFZXRTOVJBJ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211063998 773765356 /nfs/dbraw/zinc/76/53/56/773765356.db2.gz GBVQFZXRTOVJBJ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211124938 773773361 /nfs/dbraw/zinc/77/33/61/773773361.db2.gz AEZYWWQNSIAPTL-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001211279175 773789829 /nfs/dbraw/zinc/78/98/29/773789829.db2.gz WHYJRGDFRCSVAV-OAHLLOKOSA-N 1 3 321.469 0.883 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)C1 ZINC001197792800 773801548 /nfs/dbraw/zinc/80/15/48/773801548.db2.gz QCAJDSFDYDCZEO-RRFJBIMHSA-N 1 3 315.433 0.629 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)C1 ZINC001197792800 773801555 /nfs/dbraw/zinc/80/15/55/773801555.db2.gz QCAJDSFDYDCZEO-RRFJBIMHSA-N 1 3 315.433 0.629 20 0 DCADHO CO[C@@H]1CN(CC2CC(F)(F)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378297 773839029 /nfs/dbraw/zinc/83/90/29/773839029.db2.gz KWMDRVFIQTWBBP-CHWSQXEVSA-N 1 3 319.396 0.799 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214344432 773962036 /nfs/dbraw/zinc/96/20/36/773962036.db2.gz SOCCLGWEPVQZPA-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001214998332 774032172 /nfs/dbraw/zinc/03/21/72/774032172.db2.gz UWCRPGGUSJGICW-MGPQQGTHSA-N 1 3 315.458 0.161 20 0 DCADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCC(N)=O ZINC001215228622 774051729 /nfs/dbraw/zinc/05/17/29/774051729.db2.gz XTBZESLQZVZPQX-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCC(N)=O ZINC001215228622 774051737 /nfs/dbraw/zinc/05/17/37/774051737.db2.gz XTBZESLQZVZPQX-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001215685998 774087781 /nfs/dbraw/zinc/08/77/81/774087781.db2.gz XWHYDFLHDAHYDK-IUODEOHRSA-N 1 3 306.410 0.815 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216383381 774115363 /nfs/dbraw/zinc/11/53/63/774115363.db2.gz LHNWQBXUVCKMMT-UMVBOHGHSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216383381 774115367 /nfs/dbraw/zinc/11/53/67/774115367.db2.gz LHNWQBXUVCKMMT-UMVBOHGHSA-N 1 3 322.453 0.043 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216830265 774140744 /nfs/dbraw/zinc/14/07/44/774140744.db2.gz NFMNFTIRAICGNZ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO c1nn2c(c1-c1nc(-c3ccc4c(n3)CC[NH2+]C4)no1)CNCC2 ZINC001217219004 774161196 /nfs/dbraw/zinc/16/11/96/774161196.db2.gz NTTLDCNNROQYFK-UHFFFAOYSA-N 1 3 323.360 0.744 20 0 DCADHO c1cc(-c2noc(-c3n[nH]c4c3C[NH2+]CC4)n2)nc2c1CNCC2 ZINC001217204413 774161214 /nfs/dbraw/zinc/16/12/14/774161214.db2.gz OHFXMBFISABOEH-UHFFFAOYSA-N 1 3 323.360 0.813 20 0 DCADHO COCCOCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788028 774198675 /nfs/dbraw/zinc/19/86/75/774198675.db2.gz IFEXXLIKCKEQIT-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788677 774199043 /nfs/dbraw/zinc/19/90/43/774199043.db2.gz XBHNKGXTOLFMOD-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]CCOCCOCCOCCO[C@H]1CNCc2ccccc21 ZINC001217940636 774207722 /nfs/dbraw/zinc/20/77/22/774207722.db2.gz IQEUWPSOJPKNMG-KRWDZBQOSA-N 1 3 324.421 0.856 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)NC1CC1 ZINC001199827047 774218753 /nfs/dbraw/zinc/21/87/53/774218753.db2.gz RMQWRJZVFXLXPK-WFASDCNBSA-N 1 3 322.453 0.328 20 0 DCADHO COCC[NH+]1CCC(Oc2ccc(C[C@H](N)C(N)=O)cc2)CC1 ZINC001218320404 774221540 /nfs/dbraw/zinc/22/15/40/774221540.db2.gz SQCFZVWZRZUXFX-INIZCTEOSA-N 1 3 321.421 0.531 20 0 DCADHO C[C@@H]1CC[C@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)C[NH2+]1 ZINC001218409810 774224003 /nfs/dbraw/zinc/22/40/03/774224003.db2.gz WEQGQKSRIYYCLS-XBFCOCLRSA-N 1 3 321.421 0.870 20 0 DCADHO Cc1[nH]nc(NC(=O)[C@@H](N)CCCC[NH3+])c1Br ZINC001218523187 774236279 /nfs/dbraw/zinc/23/62/79/774236279.db2.gz DLERPJVTMGOHBG-ZETCQYMHSA-N 1 3 304.192 0.875 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ncnc2c1cnn2C ZINC001218557371 774247073 /nfs/dbraw/zinc/24/70/73/774247073.db2.gz PXGKOFLUWNMLHE-LBPRGKRZSA-N 1 3 319.413 0.797 20 0 DCADHO N[C@@H](C(=O)Nc1cncnc1Br)C1CC[NH2+]CC1 ZINC001218571479 774251749 /nfs/dbraw/zinc/25/17/49/774251749.db2.gz ZQOJNKRQLWTXBZ-SECBINFHSA-N 1 3 314.187 0.505 20 0 DCADHO CCCN=c1c(N)c(Cl)ncn1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001218572691 774252698 /nfs/dbraw/zinc/25/26/98/774252698.db2.gz YVLJESYJFQPALP-NUPCCRGMSA-N 1 3 324.816 0.291 20 0 DCADHO O=C(Nc1cc(OCC2CC2)n[nH]1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218578625 774254422 /nfs/dbraw/zinc/25/44/22/774254422.db2.gz LTIVCZGDTMZJMU-IAQYHMDHSA-N 1 3 305.382 0.336 20 0 DCADHO O=C(Nc1nc(Cl)nc2[nH]cnc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218587846 774257419 /nfs/dbraw/zinc/25/74/19/774257419.db2.gz NVHVUOCVVUOOPH-FUXBKTLASA-N 1 3 321.772 0.144 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)c1cnc2n1CC[NH2+]CC2 ZINC001218711854 774286577 /nfs/dbraw/zinc/28/65/77/774286577.db2.gz FFNXPIQFXRZZPJ-JTQLQIEISA-N 1 3 316.365 0.694 20 0 DCADHO CCOc1cc(NC(=O)[C@@H](N)CCC[NH3+])cc(C(=O)OC)n1 ZINC001218716689 774287825 /nfs/dbraw/zinc/28/78/25/774287825.db2.gz ADEHGVCWZUXJQR-JTQLQIEISA-N 1 3 310.354 0.272 20 0 DCADHO COc1cccc(Cn2nccc2NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001218732961 774291504 /nfs/dbraw/zinc/29/15/04/774291504.db2.gz DJYIHBIYFSKQIG-CQSZACIVSA-N 1 3 317.393 0.945 20 0 DCADHO Nc1cnc(N(CC(F)(F)F)C(=O)[C@H](N)CCC[NH3+])nc1 ZINC001218739483 774291853 /nfs/dbraw/zinc/29/18/53/774291853.db2.gz BDNNZCKTXNYPCL-MRVPVSSYSA-N 1 3 306.292 0.020 20 0 DCADHO O=C(Nc1cc(-c2ccccc2)cnn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218779628 774301604 /nfs/dbraw/zinc/30/16/04/774301604.db2.gz ZOAFVQSBYZVMJP-AWEZNQCLSA-N 1 3 309.373 0.891 20 0 DCADHO COC(=O)/C=C/c1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)nc1 ZINC001218801380 774306925 /nfs/dbraw/zinc/30/69/25/774306925.db2.gz FOWYKXLNDTZVJR-UJAVWCLSSA-N 1 3 318.377 0.533 20 0 DCADHO CN1CCN(c2ccc(F)cc2NC(=O)CNCCC[NH3+])CC1 ZINC001218862145 774316895 /nfs/dbraw/zinc/31/68/95/774316895.db2.gz REOABOGDFBLRFS-UHFFFAOYSA-N 1 3 323.416 0.454 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218900594 774323535 /nfs/dbraw/zinc/32/35/35/774323535.db2.gz PGMFNGUHIRJTTC-STQMWFEESA-N 1 3 306.366 0.342 20 0 DCADHO N[C@@H](C(=O)Nc1ccc(C2OCCO2)cc1)C1CC[NH2+]CC1 ZINC001218910203 774324739 /nfs/dbraw/zinc/32/47/39/774324739.db2.gz FJDQFCVVLWIHBG-CQSZACIVSA-N 1 3 305.378 0.997 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937062 774331801 /nfs/dbraw/zinc/33/18/01/774331801.db2.gz JDRZXTXVHNLSCA-AWEZNQCLSA-N 1 3 305.378 0.594 20 0 DCADHO NC(=O)c1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1Cl ZINC001218951625 774334644 /nfs/dbraw/zinc/33/46/44/774334644.db2.gz NNPZOBBMBRXTKG-RFAUZJTJSA-N 1 3 322.796 0.577 20 0 DCADHO COc1cc(NC(=O)[C@@H](N)CCCC[NH3+])c(C(N)=O)cc1OC ZINC001218969076 774337430 /nfs/dbraw/zinc/33/74/30/774337430.db2.gz VBCUZLDHJYPJGB-JTQLQIEISA-N 1 3 324.381 0.198 20 0 DCADHO CC1(C)c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2NC1=O ZINC001218978182 774338785 /nfs/dbraw/zinc/33/87/85/774338785.db2.gz QVFKENTXVZWXAN-LBPRGKRZSA-N 1 3 314.389 0.664 20 0 DCADHO COc1cc(NC(=O)[C@H](N)CCC[NH3+])cc(-n2cncn2)c1 ZINC001219092927 774366620 /nfs/dbraw/zinc/36/66/20/774366620.db2.gz ZFJQWOJEXARMQH-CYBMUJFWSA-N 1 3 304.354 0.281 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116870 774377082 /nfs/dbraw/zinc/37/70/82/774377082.db2.gz TXOXJMLBDUKUDK-AWEZNQCLSA-N 1 3 320.393 0.315 20 0 DCADHO CO[C@H]1CCN[C@@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119328 774378197 /nfs/dbraw/zinc/37/81/97/774378197.db2.gz XERVUXRVUOTUTG-JKSUJKDBSA-N 1 3 318.421 0.802 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001200851883 774417375 /nfs/dbraw/zinc/41/73/75/774417375.db2.gz SEAHDNQIDRMPPO-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO Nc1c(F)cccc1N(C(=O)[C@H]1CNCCN1)C1CC[NH2+]CC1 ZINC001219283700 774434432 /nfs/dbraw/zinc/43/44/32/774434432.db2.gz YZYOWFPFFPIBST-CYBMUJFWSA-N 1 3 321.400 0.054 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1)N(C)C ZINC001201239810 774468992 /nfs/dbraw/zinc/46/89/92/774468992.db2.gz NCBPKNSAKOLBJF-TZMCWYRMSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)OCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201493578 774517268 /nfs/dbraw/zinc/51/72/68/774517268.db2.gz HJXBFFOQXMFQDH-HNNXBMFYSA-N 1 3 324.425 0.584 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201481836 774520835 /nfs/dbraw/zinc/52/08/35/774520835.db2.gz GWHQHIDVOSLLKA-TZMCWYRMSA-N 1 3 310.398 0.194 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]CCC2CC2)C1 ZINC001201482482 774520866 /nfs/dbraw/zinc/52/08/66/774520866.db2.gz IUCZWUJBDWZZOP-OAHLLOKOSA-N 1 3 306.410 0.959 20 0 DCADHO CN1Cc2c(NC(=O)[C@H](N)C3CC[NH2+]CC3)cccc2NC1=O ZINC001219530021 774524454 /nfs/dbraw/zinc/52/44/54/774524454.db2.gz HKOATZBRCCKKJJ-CQSZACIVSA-N 1 3 317.393 0.929 20 0 DCADHO Cc1cc2c(cc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1)OCCO2 ZINC001219606453 774555073 /nfs/dbraw/zinc/55/50/73/774555073.db2.gz LKLUIABFMDLOGD-INIZCTEOSA-N 1 3 319.405 0.709 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)cn1 ZINC001219642156 774570325 /nfs/dbraw/zinc/57/03/25/774570325.db2.gz PLUKNCHJDIALCY-BZPMIXESSA-N 1 3 306.410 0.842 20 0 DCADHO Cn1c(CNC(=O)[C@H](N)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001219699113 774582931 /nfs/dbraw/zinc/58/29/31/774582931.db2.gz RQLPYFRWCQJTCT-GFCCVEGCSA-N 1 3 318.343 0.987 20 0 DCADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712848 774588401 /nfs/dbraw/zinc/58/84/01/774588401.db2.gz XOWSOFJUZKFXMR-IJLUTSLNSA-N 1 3 317.311 0.024 20 0 DCADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1csc2c1CCNC2 ZINC001219739022 774595023 /nfs/dbraw/zinc/59/50/23/774595023.db2.gz FMKYNXWKQMZVAQ-SNVBAGLBSA-N 1 3 307.419 0.502 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1Cc2ccccc2CN1 ZINC001219765354 774600424 /nfs/dbraw/zinc/60/04/24/774600424.db2.gz ZXJHUFRNKXXOTC-XOKHGSTOSA-N 1 3 314.433 0.111 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1Cc2ccccc2CN1 ZINC001219765354 774600429 /nfs/dbraw/zinc/60/04/29/774600429.db2.gz ZXJHUFRNKXXOTC-XOKHGSTOSA-N 1 3 314.433 0.111 20 0 DCADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1Cc2ccccc2CN1 ZINC001219765354 774600435 /nfs/dbraw/zinc/60/04/35/774600435.db2.gz ZXJHUFRNKXXOTC-XOKHGSTOSA-N 1 3 314.433 0.111 20 0 DCADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1csc([C@H]2CCCN2)n1 ZINC001219831771 774623056 /nfs/dbraw/zinc/62/30/56/774623056.db2.gz XNMRGJSJGKSBPW-UZWSLXQKSA-N 1 3 322.434 0.674 20 0 DCADHO Cn1cc(Br)cc(NC(=O)[C@@H](N)CCC[NH3+])c1=O ZINC001219881181 774635585 /nfs/dbraw/zinc/63/55/85/774635585.db2.gz RWRJFTCFPTXJNP-QMMMGPOBSA-N 1 3 317.187 0.153 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001219901764 774642168 /nfs/dbraw/zinc/64/21/68/774642168.db2.gz PZCZEWGKDITZPD-MKBNYLNASA-N 1 3 320.393 0.067 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045116 774679458 /nfs/dbraw/zinc/67/94/58/774679458.db2.gz MFSBTSWQTMIROF-HNNXBMFYSA-N 1 3 314.389 0.871 20 0 DCADHO CSCC[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(C)(C)O ZINC001220145430 774708430 /nfs/dbraw/zinc/70/84/30/774708430.db2.gz BVDRWLXIYZTPDJ-LALPHHSUSA-N 1 3 315.483 0.194 20 0 DCADHO O=C(NC1(C(F)(F)F)CCOCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220156717 774712877 /nfs/dbraw/zinc/71/28/77/774712877.db2.gz HNRYGMLEKPGLKD-ZYHUDNBSSA-N 1 3 321.343 0.413 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC001220163050 774715564 /nfs/dbraw/zinc/71/55/64/774715564.db2.gz OKFTVODBRHPWLT-KEYYUXOJSA-N 1 3 322.453 0.365 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202495848 774723125 /nfs/dbraw/zinc/72/31/25/774723125.db2.gz JKMLWHXAPOUHOJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1ccc(CNC(=O)[C@@H](N)CSCC[NH3+])c(F)c1F ZINC001220210079 774734665 /nfs/dbraw/zinc/73/46/65/774734665.db2.gz QAQSSYXNUQCECC-JTQLQIEISA-N 1 3 303.378 0.909 20 0 DCADHO O=C(NC1(c2cccnn2)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220209846 774734743 /nfs/dbraw/zinc/73/47/43/774734743.db2.gz HIOQINBLHPIWKF-GFCCVEGCSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NC1(c2cccnn2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220209846 774734748 /nfs/dbraw/zinc/73/47/48/774734748.db2.gz HIOQINBLHPIWKF-GFCCVEGCSA-N 1 3 301.394 0.456 20 0 DCADHO CN(CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO)c1cc[nH+]cc1 ZINC001110746927 774750692 /nfs/dbraw/zinc/75/06/92/774750692.db2.gz HGCACJJCNWLUDA-OAGGEKHMSA-N 1 3 318.421 0.622 20 0 DCADHO O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1cncc2c1CCNC2 ZINC001220323195 774771857 /nfs/dbraw/zinc/77/18/57/774771857.db2.gz DBZGWUHXGISOOE-CXAGYDPISA-N 1 3 316.405 0.368 20 0 DCADHO O=C(NC[C@@H](CO)Cc1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220405530 774797626 /nfs/dbraw/zinc/79/76/26/774797626.db2.gz ANBDSBLIKOGDHC-LZLYRXPVSA-N 1 3 317.433 0.153 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001114434037 774864206 /nfs/dbraw/zinc/86/42/06/774864206.db2.gz PQZDGVCPAHFMOP-JJXSEGSLSA-N 1 3 319.453 0.516 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001114434037 774864212 /nfs/dbraw/zinc/86/42/12/774864212.db2.gz PQZDGVCPAHFMOP-JJXSEGSLSA-N 1 3 319.453 0.516 20 0 DCADHO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001220633855 774870546 /nfs/dbraw/zinc/87/05/46/774870546.db2.gz AXFYEHUJYLEMMS-GJZGRUSLSA-N 1 3 301.390 0.608 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)N(C)C ZINC001114464217 774882330 /nfs/dbraw/zinc/88/23/30/774882330.db2.gz RBLSQTCOKABFBV-QXSJWSMHSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)N(C)C ZINC001114464217 774882337 /nfs/dbraw/zinc/88/23/37/774882337.db2.gz RBLSQTCOKABFBV-QXSJWSMHSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)(F)c1ncncc1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220673686 774886453 /nfs/dbraw/zinc/88/64/53/774886453.db2.gz IPUUFVXHRKMFDV-LBPRGKRZSA-N 1 3 309.389 0.624 20 0 DCADHO Nc1ncc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)s1 ZINC001220704604 774896161 /nfs/dbraw/zinc/89/61/61/774896161.db2.gz SQTGOOLCZCRMOK-LLVKDONJSA-N 1 3 309.439 0.258 20 0 DCADHO Nc1ncc(CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)s1 ZINC001220704604 774896170 /nfs/dbraw/zinc/89/61/70/774896170.db2.gz SQTGOOLCZCRMOK-LLVKDONJSA-N 1 3 309.439 0.258 20 0 DCADHO C[C@@](CO)(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccccc1 ZINC001220711893 774898306 /nfs/dbraw/zinc/89/83/06/774898306.db2.gz UAFKNGDNWMYJKZ-HYVNUMGLSA-N 1 3 303.406 0.209 20 0 DCADHO COC(=O)C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CCCCC1 ZINC001220730313 774904230 /nfs/dbraw/zinc/90/42/30/774904230.db2.gz VFBPGCXRESRPQN-KBPBESRZSA-N 1 3 323.437 0.424 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768420 774910950 /nfs/dbraw/zinc/91/09/50/774910950.db2.gz LATNTBKUCJRNJA-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799298 774918129 /nfs/dbraw/zinc/91/81/29/774918129.db2.gz VKYQYDFHEKTIFO-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCOC(=O)[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])c1ccccc1 ZINC001220876660 774941016 /nfs/dbraw/zinc/94/10/16/774941016.db2.gz MMVCKMRNXHQOLU-GJZGRUSLSA-N 1 3 321.421 0.906 20 0 DCADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H](N)Cc2c[nH]cn2)cc1 ZINC001220903383 774949123 /nfs/dbraw/zinc/94/91/23/774949123.db2.gz SCJVIMGQWMDYNB-INIZCTEOSA-N 1 3 315.421 0.829 20 0 DCADHO CC(C)(C)C(=O)CN1CCC(NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001220908875 774950779 /nfs/dbraw/zinc/95/07/79/774950779.db2.gz BDXLFYVIXVWQQD-CYBMUJFWSA-N 1 3 312.458 0.248 20 0 DCADHO COc1ccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)nc1OC ZINC001220955934 774962012 /nfs/dbraw/zinc/96/20/12/774962012.db2.gz SAJIVYVPSXKGPL-CYBMUJFWSA-N 1 3 308.382 0.042 20 0 DCADHO N[C@H](C(=O)NCc1cnn(CC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001220973356 774966005 /nfs/dbraw/zinc/96/60/05/774966005.db2.gz UOKKZEMMEGQPGJ-NSHDSACASA-N 1 3 319.331 0.389 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116060 774999622 /nfs/dbraw/zinc/99/96/22/774999622.db2.gz JNXUHZXGDNFKPT-NSHDSACASA-N 1 3 312.364 0.802 20 0 DCADHO CN[C@H](C(=O)N[C@@H](CCC[NH3+])C(=O)OC)[C@@H](C)OC(C)(C)C ZINC001221188512 775020526 /nfs/dbraw/zinc/02/05/26/775020526.db2.gz XBRGIYZORWBZRN-WOPDTQHZSA-N 1 3 317.430 0.175 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248249 775043205 /nfs/dbraw/zinc/04/32/05/775043205.db2.gz OTXLQQQRGRTKHG-WMLDXEAASA-N 1 3 324.469 0.515 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221339502 775073265 /nfs/dbraw/zinc/07/32/65/775073265.db2.gz IHPJUTSRGZTRMZ-AWEZNQCLSA-N 1 3 302.382 0.340 20 0 DCADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001221356902 775076660 /nfs/dbraw/zinc/07/66/60/775076660.db2.gz DPIBXVRJUFRAEO-WVZRYYJFSA-N 1 3 324.469 0.071 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N[C@@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001221365817 775078016 /nfs/dbraw/zinc/07/80/16/775078016.db2.gz JHJGUTKCVCSUDO-QLFBSQMISA-N 1 3 309.385 0.771 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnc([C@H](C)N)s1 ZINC001221390267 775081383 /nfs/dbraw/zinc/08/13/83/775081383.db2.gz CMFBMAZJBCHEKB-VIFPVBQESA-N 1 3 312.443 0.840 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO)CC[N@@H+]1C ZINC001095441084 775124812 /nfs/dbraw/zinc/12/48/12/775124812.db2.gz NMSADLGCMCAVFD-CWVYHPPDSA-N 1 3 309.454 0.821 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO)CC[N@H+]1C ZINC001095441084 775124821 /nfs/dbraw/zinc/12/48/21/775124821.db2.gz NMSADLGCMCAVFD-CWVYHPPDSA-N 1 3 309.454 0.821 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950593 775233131 /nfs/dbraw/zinc/23/31/31/775233131.db2.gz OVVUOLLBAQFWMS-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000420932863 775246203 /nfs/dbraw/zinc/24/62/03/775246203.db2.gz HTLDSVSOUYEYDS-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO FC(F)(F)[C@H]1N(C[C@H]2CNCCO2)CCC12CC[NH2+]CC2 ZINC001222644199 775405895 /nfs/dbraw/zinc/40/58/95/775405895.db2.gz ZQTJCJHHFRHZIA-NEPJUHHUSA-N 1 3 307.360 0.981 20 0 DCADHO FC(F)(F)[C@@H]1N(C[C@@H]2CNCCO2)CCC12CC[NH2+]CC2 ZINC001222644200 775405924 /nfs/dbraw/zinc/40/59/24/775405924.db2.gz ZQTJCJHHFRHZIA-NWDGAFQWSA-N 1 3 307.360 0.981 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225167849 775651382 /nfs/dbraw/zinc/65/13/82/775651382.db2.gz CZSFZVWBHZSHQE-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225167849 775651385 /nfs/dbraw/zinc/65/13/85/775651385.db2.gz CZSFZVWBHZSHQE-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001226765755 775874960 /nfs/dbraw/zinc/87/49/60/775874960.db2.gz DWKPIOWPXDASDR-YNEHKIRRSA-N 1 3 310.442 0.362 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001229231569 776171677 /nfs/dbraw/zinc/17/16/77/776171677.db2.gz QXPKQIVDXPVTGG-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C ZINC001230284475 776276472 /nfs/dbraw/zinc/27/64/72/776276472.db2.gz GRJMEIGEAXCNNG-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO O=C(N1CC[C@@H]2CCN(CCO)[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001042132082 777723446 /nfs/dbraw/zinc/72/34/46/777723446.db2.gz CYSUSTGHWIKUDE-GJZGRUSLSA-N 1 3 307.438 0.530 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001317586252 945087590 /nfs/dbraw/zinc/08/75/90/945087590.db2.gz HBYVASDPBJCZGZ-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001317586252 945087601 /nfs/dbraw/zinc/08/76/01/945087601.db2.gz HBYVASDPBJCZGZ-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C)C(N)=O ZINC001266880646 939265081 /nfs/dbraw/zinc/26/50/81/939265081.db2.gz NLRZWAZZYSHNBQ-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCN1CCCC1=O ZINC001266971687 939294363 /nfs/dbraw/zinc/29/43/63/939294363.db2.gz OJKQPKQUCHAUHC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCn3cccn3)C2)C1=O ZINC001273095146 945249378 /nfs/dbraw/zinc/24/93/78/945249378.db2.gz LEVDBCHZSWKKIJ-QGZVFWFLSA-N 1 3 319.453 0.759 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCn3cccn3)C2)C1=O ZINC001273095146 945249391 /nfs/dbraw/zinc/24/93/91/945249391.db2.gz LEVDBCHZSWKKIJ-QGZVFWFLSA-N 1 3 319.453 0.759 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCn1cccn1 ZINC001273095018 945249465 /nfs/dbraw/zinc/24/94/65/945249465.db2.gz JJUKITZKUVAGOM-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCn1cccn1 ZINC001273095018 945249479 /nfs/dbraw/zinc/24/94/79/945249479.db2.gz JJUKITZKUVAGOM-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001408594051 939406715 /nfs/dbraw/zinc/40/67/15/939406715.db2.gz CHRUJIAJBIEXAJ-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408594051 939406717 /nfs/dbraw/zinc/40/67/17/939406717.db2.gz CHRUJIAJBIEXAJ-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267390897 939446533 /nfs/dbraw/zinc/44/65/33/939446533.db2.gz WNFCLJKHCBWCBQ-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481231934 939656094 /nfs/dbraw/zinc/65/60/94/939656094.db2.gz SIHZONWGTBNTPG-UKRRQHHQSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481231934 939656096 /nfs/dbraw/zinc/65/60/96/939656096.db2.gz SIHZONWGTBNTPG-UKRRQHHQSA-N 1 3 307.442 0.617 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)CCC[NH+]1CCCCC1 ZINC001481317574 939744731 /nfs/dbraw/zinc/74/47/31/939744731.db2.gz NRVMGPCZCPIZJL-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001481318258 939745080 /nfs/dbraw/zinc/74/50/80/939745080.db2.gz URLKMFSBVYAICY-UHFFFAOYSA-N 1 3 308.430 0.537 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001481319954 939746400 /nfs/dbraw/zinc/74/64/00/939746400.db2.gz QZXPHYIDWGIUJF-UHFFFAOYSA-N 1 3 308.426 0.274 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)CC[NH+]1CCCCC1 ZINC001481319913 939746524 /nfs/dbraw/zinc/74/65/24/939746524.db2.gz QFRGRJMPGNMLOZ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001279273227 939966071 /nfs/dbraw/zinc/96/60/71/939966071.db2.gz CVNXPHCPCCZIPZ-YMAMQOFZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001496443856 939971501 /nfs/dbraw/zinc/97/15/01/939971501.db2.gz IWTSRGUKXNBLHP-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCn1ccc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001268422350 940117075 /nfs/dbraw/zinc/11/70/75/940117075.db2.gz ALVQGDSGHGOGQI-KBPBESRZSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001268422350 940117077 /nfs/dbraw/zinc/11/70/77/940117077.db2.gz ALVQGDSGHGOGQI-KBPBESRZSA-N 1 3 307.442 0.839 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268490573 940187972 /nfs/dbraw/zinc/18/79/72/940187972.db2.gz CKKJBZWYMNRMLX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268490573 940187973 /nfs/dbraw/zinc/18/79/73/940187973.db2.gz CKKJBZWYMNRMLX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001482005718 940203081 /nfs/dbraw/zinc/20/30/81/940203081.db2.gz YBECLCJYKUTDLR-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(CC[NH2+]CCCO)CC2)C1 ZINC001482003375 940204172 /nfs/dbraw/zinc/20/41/72/940204172.db2.gz CTZDOMVHUUBGSQ-HNNXBMFYSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001482016562 940206025 /nfs/dbraw/zinc/20/60/25/940206025.db2.gz IEOCATAZHNBPEZ-JHJVBQTASA-N 1 3 310.442 0.362 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001482026196 940209913 /nfs/dbraw/zinc/20/99/13/940209913.db2.gz UBXWEXCCKZYUPN-AJNGGQMLSA-N 1 3 324.469 0.622 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CCNCC1(F)F ZINC001245990592 945307586 /nfs/dbraw/zinc/30/75/86/945307586.db2.gz ASKKARSOCFWSEO-SOUVJXGZSA-N 1 3 313.392 0.752 20 0 DCADHO CC(C)(C)OC(=O)[C@H](O)CNC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245989066 945307679 /nfs/dbraw/zinc/30/76/79/945307679.db2.gz XNWVIGKXKYPUJE-CHWSQXEVSA-N 1 3 313.442 0.153 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268613596 940300194 /nfs/dbraw/zinc/30/01/94/940300194.db2.gz OHCIXZYWARUJIX-LAWSMPECSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268613596 940300198 /nfs/dbraw/zinc/30/01/98/940300198.db2.gz OHCIXZYWARUJIX-LAWSMPECSA-N 1 3 310.442 0.067 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001268646806 940315419 /nfs/dbraw/zinc/31/54/19/940315419.db2.gz ZHYCNCHYBZSAHK-ZBFHGGJFSA-N 1 3 321.469 0.930 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[NH2+]C(C)(C)C ZINC001318304124 945315318 /nfs/dbraw/zinc/31/53/18/945315318.db2.gz DJGHTJCLKAEFOA-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001422216550 940338055 /nfs/dbraw/zinc/33/80/55/940338055.db2.gz JUURVLCEGJPYNH-OAHLLOKOSA-N 1 3 315.458 0.116 20 0 DCADHO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001422216550 940338058 /nfs/dbraw/zinc/33/80/58/940338058.db2.gz JUURVLCEGJPYNH-OAHLLOKOSA-N 1 3 315.458 0.116 20 0 DCADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246085701 945335548 /nfs/dbraw/zinc/33/55/48/945335548.db2.gz YEOMEUUIJFYFFI-PWNZVWSESA-N 1 3 302.390 0.760 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001482326628 940993215 /nfs/dbraw/zinc/99/32/15/940993215.db2.gz UCONTOZBLWTHRM-GFCCVEGCSA-N 1 3 310.446 0.495 20 0 DCADHO CC(C)C[C@@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482399379 941210720 /nfs/dbraw/zinc/21/07/20/941210720.db2.gz YIZCINJWPXDFGO-GJZGRUSLSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482399379 941210722 /nfs/dbraw/zinc/21/07/22/941210722.db2.gz YIZCINJWPXDFGO-GJZGRUSLSA-N 1 3 321.469 0.992 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001482433599 941219775 /nfs/dbraw/zinc/21/97/75/941219775.db2.gz LCAJUNDDENBCGS-JSGCOSHPSA-N 1 3 321.425 0.305 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001482475870 941306626 /nfs/dbraw/zinc/30/66/26/941306626.db2.gz ZWTZHEOBDUONHM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)CN1CCCC1 ZINC001271206561 941321765 /nfs/dbraw/zinc/32/17/65/941321765.db2.gz HAHWTEDWCQBIIN-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001482667955 941616098 /nfs/dbraw/zinc/61/60/98/941616098.db2.gz ULERUSHNQYVBBD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001482667955 941616100 /nfs/dbraw/zinc/61/61/00/941616100.db2.gz ULERUSHNQYVBBD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001483093351 941840904 /nfs/dbraw/zinc/84/09/04/941840904.db2.gz PJJWWNAJRVZBDJ-YJQVQVLHSA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001483093351 941840906 /nfs/dbraw/zinc/84/09/06/941840906.db2.gz PJJWWNAJRVZBDJ-YJQVQVLHSA-N 1 3 322.453 0.209 20 0 DCADHO CCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409429269 941993239 /nfs/dbraw/zinc/99/32/39/941993239.db2.gz ZLJUKUYYSBCCNF-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001409437460 941999228 /nfs/dbraw/zinc/99/92/28/941999228.db2.gz DDCXWBMKROFOKF-AWEZNQCLSA-N 1 3 314.474 0.393 20 0 DCADHO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001426085280 942024893 /nfs/dbraw/zinc/02/48/93/942024893.db2.gz RSWZNJNHHSRDGL-ZIAGYGMSSA-N 1 3 317.474 0.096 20 0 DCADHO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001426085280 942024895 /nfs/dbraw/zinc/02/48/95/942024895.db2.gz RSWZNJNHHSRDGL-ZIAGYGMSSA-N 1 3 317.474 0.096 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483242505 942197845 /nfs/dbraw/zinc/19/78/45/942197845.db2.gz LSQSYRMKLPKENY-RYUDHWBXSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001483242505 942197850 /nfs/dbraw/zinc/19/78/50/942197850.db2.gz LSQSYRMKLPKENY-RYUDHWBXSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483282951 942235908 /nfs/dbraw/zinc/23/59/08/942235908.db2.gz DGQFWAYXQYLWFL-RYUDHWBXSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001483296894 942246577 /nfs/dbraw/zinc/24/65/77/942246577.db2.gz SJCXIVYOQPVCGB-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001483475855 942378204 /nfs/dbraw/zinc/37/82/04/942378204.db2.gz YNUICFGLXCQDPR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001127066371 942425422 /nfs/dbraw/zinc/42/54/22/942425422.db2.gz MNEOEBZMHPWXGK-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001127066371 942425424 /nfs/dbraw/zinc/42/54/24/942425424.db2.gz MNEOEBZMHPWXGK-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001483570193 942430495 /nfs/dbraw/zinc/43/04/95/942430495.db2.gz HVDCGCZPTQDARZ-ZIAGYGMSSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001483570193 942430499 /nfs/dbraw/zinc/43/04/99/942430499.db2.gz HVDCGCZPTQDARZ-ZIAGYGMSSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001127082596 942465569 /nfs/dbraw/zinc/46/55/69/942465569.db2.gz VZXUSBTWOYGZRH-JSGCOSHPSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001127082596 942465571 /nfs/dbraw/zinc/46/55/71/942465571.db2.gz VZXUSBTWOYGZRH-JSGCOSHPSA-N 1 3 310.442 0.232 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CCc2ccccc2)CCC1 ZINC001272435213 942754405 /nfs/dbraw/zinc/75/44/05/942754405.db2.gz PPXWPDPISCYQFS-MRXNPFEDSA-N 1 3 319.449 0.780 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1=O ZINC001272551401 942820228 /nfs/dbraw/zinc/82/02/28/942820228.db2.gz WJHSLOSEULDCAL-MRXNPFEDSA-N 1 3 319.409 0.312 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCCF)[NH+]1CCCCC1 ZINC001272582892 942848210 /nfs/dbraw/zinc/84/82/10/942848210.db2.gz CPIKICLYOBXRKS-UONOGXRCSA-N 1 3 303.422 0.533 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCn2nc(C)nc2C)CC1)N(C)C ZINC001483748086 942852880 /nfs/dbraw/zinc/85/28/80/942852880.db2.gz ZXPPFTBSWFFZEH-CQSZACIVSA-N 1 3 322.457 0.474 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001483912912 943019626 /nfs/dbraw/zinc/01/96/26/943019626.db2.gz DOSDTSYLFHSEAV-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CCCO)C2)CC1 ZINC001484120654 943157020 /nfs/dbraw/zinc/15/70/20/943157020.db2.gz VQDMMOGVPVSJGS-QGZVFWFLSA-N 1 3 311.470 0.929 20 0 DCADHO CN1CC[C@@H](N2CCC(C)(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001484142572 943164110 /nfs/dbraw/zinc/16/41/10/943164110.db2.gz VXVCSXOVZPRZHF-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC)C1 ZINC001484552097 943450523 /nfs/dbraw/zinc/45/05/23/943450523.db2.gz VUNMMBAQKHFSEU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CCC1 ZINC001484653065 943494038 /nfs/dbraw/zinc/49/40/38/943494038.db2.gz KKTQJHXHHNFRJA-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001484687720 943518445 /nfs/dbraw/zinc/51/84/45/943518445.db2.gz NDUKHJZCDMMCON-INIZCTEOSA-N 1 3 320.437 0.740 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCO1 ZINC001484695761 943527750 /nfs/dbraw/zinc/52/77/50/943527750.db2.gz IGFDUUAUPWDUAI-KGLIPLIRSA-N 1 3 301.431 0.036 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@](CO)([NH2+]CC3CC3)C2)CCC1 ZINC001484842521 943591351 /nfs/dbraw/zinc/59/13/51/943591351.db2.gz UODAFRPZRHYDCP-MRXNPFEDSA-N 1 3 309.454 0.824 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001490928965 943679842 /nfs/dbraw/zinc/67/98/42/943679842.db2.gz WORFDWHEKFAUKJ-JOCQHMNTSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001490922102 943681836 /nfs/dbraw/zinc/68/18/36/943681836.db2.gz LRMOEZSHYKSAHG-SHTZXODSSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272697720 943731613 /nfs/dbraw/zinc/73/16/13/943731613.db2.gz NJTTZEYZXKEBJP-INMHGKMJSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H]1C[C@@H]1C[N@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272697720 943731618 /nfs/dbraw/zinc/73/16/18/943731618.db2.gz NJTTZEYZXKEBJP-INMHGKMJSA-N 1 3 309.454 0.755 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001491455032 944009650 /nfs/dbraw/zinc/00/96/50/944009650.db2.gz NSSGBVJTKSVMPP-UONOGXRCSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001491455032 944009657 /nfs/dbraw/zinc/00/96/57/944009657.db2.gz NSSGBVJTKSVMPP-UONOGXRCSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001491486096 944036973 /nfs/dbraw/zinc/03/69/73/944036973.db2.gz AQEIITWNRBERPV-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001491486096 944036978 /nfs/dbraw/zinc/03/69/78/944036978.db2.gz AQEIITWNRBERPV-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001485929877 944415146 /nfs/dbraw/zinc/41/51/46/944415146.db2.gz HAXWILMSNSQKLI-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001317062650 944768386 /nfs/dbraw/zinc/76/83/86/944768386.db2.gz OEMZMJUGSQDMLY-BBRMVZONSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N(CCN(C)CCCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486369835 944839605 /nfs/dbraw/zinc/83/96/05/944839605.db2.gz OCKCPGMEVRHKJB-MRXNPFEDSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C3CCN(C)CC3)C[C@H]2CC1 ZINC001277625057 944915258 /nfs/dbraw/zinc/91/52/58/944915258.db2.gz OTAPRIDGSSLNKW-IYBDPMFKSA-N 1 3 322.497 0.813 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C3CCN(C)CC3)C[C@H]2CC1 ZINC001277625057 944915268 /nfs/dbraw/zinc/91/52/68/944915268.db2.gz OTAPRIDGSSLNKW-IYBDPMFKSA-N 1 3 322.497 0.813 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CCOCC3CC3)C2)C1 ZINC001278444074 945398993 /nfs/dbraw/zinc/39/89/93/945398993.db2.gz OACCYLIXCRXMPV-RDJZCZTQSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CCOCC3CC3)C2)C1 ZINC001278444074 945399004 /nfs/dbraw/zinc/39/90/04/945399004.db2.gz OACCYLIXCRXMPV-RDJZCZTQSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246375209 945399660 /nfs/dbraw/zinc/39/96/60/945399660.db2.gz WXVZXAUIMDNZBQ-JJRVBVJISA-N 1 3 324.469 0.086 20 0 DCADHO NC1(C(=O)NCc2ccccc2)CCN([C@H]2CCC[NH2+]C2)CC1 ZINC001246377567 945400256 /nfs/dbraw/zinc/40/02/56/945400256.db2.gz GWWXZDLIWGCNDQ-INIZCTEOSA-N 1 3 316.449 0.848 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001486948663 945419613 /nfs/dbraw/zinc/41/96/13/945419613.db2.gz OVDSHUBSJABRCO-LBPRGKRZSA-N 1 3 323.441 0.566 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@](F)(C[NH3+])CC2)CN1 ZINC001246546912 945429560 /nfs/dbraw/zinc/42/95/60/945429560.db2.gz HKKUMAQYOLRGQP-IPYPFGDCSA-N 1 3 301.406 0.823 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CCN1 ZINC001246707442 945466619 /nfs/dbraw/zinc/46/66/19/945466619.db2.gz VOLMOVVKCIEJMP-MZBWOGCUSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CCN1 ZINC001246707442 945466626 /nfs/dbraw/zinc/46/66/26/945466626.db2.gz VOLMOVVKCIEJMP-MZBWOGCUSA-N 1 3 321.465 0.944 20 0 DCADHO C(OCC1CC1)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNC2 ZINC001246709492 945467278 /nfs/dbraw/zinc/46/72/78/945467278.db2.gz WELJQJGXBHZSST-ZDUSSCGKSA-N 1 3 317.437 0.679 20 0 DCADHO O=C1[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]2CN1Cc1ccncc1 ZINC001246728479 945476396 /nfs/dbraw/zinc/47/63/96/945476396.db2.gz KPRYCIJITBOVQV-JYJNAYRXSA-N 1 3 300.406 0.724 20 0 DCADHO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246742403 945477381 /nfs/dbraw/zinc/47/73/81/945477381.db2.gz YLRIHEZDSIAMBS-WCVJEAGWSA-N 1 3 309.454 0.848 20 0 DCADHO O=C(NC1CCC1)c1nn(C2CC[NH2+]CC2)c2c1CNCC2 ZINC001246741487 945479290 /nfs/dbraw/zinc/47/92/90/945479290.db2.gz ATOJDEZBXAFHAJ-UHFFFAOYSA-N 1 3 303.410 0.736 20 0 DCADHO Cc1cc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc(C)n1 ZINC001246788010 945491292 /nfs/dbraw/zinc/49/12/92/945491292.db2.gz GVKGLAOWTUTMFR-HNNXBMFYSA-N 1 3 316.453 0.309 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@H]4COC[C@@H](C3)N4)C[C@H](C1)N2 ZINC001246852459 945504866 /nfs/dbraw/zinc/50/48/66/945504866.db2.gz JAALHZHESAZPHX-FWYQWXHNSA-N 1 3 323.437 0.121 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@H]4COC[C@@H](C3)N4)C[C@H](C1)N2 ZINC001246852459 945504872 /nfs/dbraw/zinc/50/48/72/945504872.db2.gz JAALHZHESAZPHX-FWYQWXHNSA-N 1 3 323.437 0.121 20 0 DCADHO Cc1ccnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246957840 945527221 /nfs/dbraw/zinc/52/72/21/945527221.db2.gz CXOHSMRAPYHQFV-AWEZNQCLSA-N 1 3 302.426 0.001 20 0 DCADHO COc1nc(C)ccc1-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247831152 945577003 /nfs/dbraw/zinc/57/70/03/945577003.db2.gz QUZVPZGBSTZJKU-NSHDSACASA-N 1 3 301.350 0.725 20 0 DCADHO Cc1c2cccc(-c3noc(C45CNCC4C[NH2+]C5)n3)c2nn1C ZINC001247852455 945579426 /nfs/dbraw/zinc/57/94/26/945579426.db2.gz UIZUWNCKYUMXKF-UHFFFAOYSA-N 1 3 324.388 0.992 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CCC(F)(F)F)N(C)C ZINC001320235680 945781141 /nfs/dbraw/zinc/78/11/41/945781141.db2.gz QAJLCFWEQFKFAW-MNOVXSKESA-N 1 3 313.364 0.592 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOCCO)C(C)(C)C1)N(C)C ZINC001278684956 946018174 /nfs/dbraw/zinc/01/81/74/946018174.db2.gz PCCJKPKTPLQPDV-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO O[C@]1(CNCCn2cnnc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252946064 946039080 /nfs/dbraw/zinc/03/90/80/946039080.db2.gz MXWLMGPWVWCVMN-INIZCTEOSA-N 1 3 301.394 0.505 20 0 DCADHO O[C@]1(CNCCn2cnnc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252946064 946039091 /nfs/dbraw/zinc/03/90/91/946039091.db2.gz MXWLMGPWVWCVMN-INIZCTEOSA-N 1 3 301.394 0.505 20 0 DCADHO Cn1c(=O)ccc2c1CC[C@@H](NC[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253406108 946115036 /nfs/dbraw/zinc/11/50/36/946115036.db2.gz ZARIRARKXYFSAN-KGLIPLIRSA-N 1 3 307.438 0.581 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001410314627 946173986 /nfs/dbraw/zinc/17/39/86/946173986.db2.gz PYABFZBTQIZUEL-KBPBESRZSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)[C@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001253763404 946177678 /nfs/dbraw/zinc/17/76/78/946177678.db2.gz WBCWLIMYODOKAN-FXUDXRNXSA-N 1 3 307.442 0.690 20 0 DCADHO CC(C)[C@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001253763404 946177688 /nfs/dbraw/zinc/17/76/88/946177688.db2.gz WBCWLIMYODOKAN-FXUDXRNXSA-N 1 3 307.442 0.690 20 0 DCADHO Cc1ccc(OC[C@H](O)C[NH2+]CCN2CCCN(C)CC2)cc1 ZINC001253842936 946197034 /nfs/dbraw/zinc/19/70/34/946197034.db2.gz KHCFYZFMVMULIV-QGZVFWFLSA-N 1 3 321.465 0.962 20 0 DCADHO CC[C@@H](N[C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410424108 946345617 /nfs/dbraw/zinc/34/56/17/946345617.db2.gz XETJTDPOZAZILR-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)n1 ZINC001321541331 946371646 /nfs/dbraw/zinc/37/16/46/946371646.db2.gz IETSJBJWUQJUHA-GFCCVEGCSA-N 1 3 323.441 0.889 20 0 DCADHO CN1CCC(CO)([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256688069 946655647 /nfs/dbraw/zinc/65/56/47/946655647.db2.gz OSEMARRSUSDMKO-UHFFFAOYSA-N 1 3 311.470 0.676 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CCn1cncn1)C(C)(C)C)N(C)C ZINC001279001902 946709486 /nfs/dbraw/zinc/70/94/86/946709486.db2.gz HCIXENDXFVLLNZ-KBPBESRZSA-N 1 3 324.473 0.739 20 0 DCADHO CC(C)N1CCC([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001257210461 946709987 /nfs/dbraw/zinc/70/99/87/946709987.db2.gz QMIFZXNCPFICPI-UHFFFAOYSA-N 1 3 303.472 0.179 20 0 DCADHO CC[NH+]1C[C@H]2CN(C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257243129 946720246 /nfs/dbraw/zinc/72/02/46/946720246.db2.gz MMWZUVDCYFNBHA-STQMWFEESA-N 1 3 301.456 0.294 20 0 DCADHO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001257440439 946734868 /nfs/dbraw/zinc/73/48/68/946734868.db2.gz PBZPTJDUKUSZIA-OAHLLOKOSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)[C@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001410746281 946882339 /nfs/dbraw/zinc/88/23/39/946882339.db2.gz WYHJJWLNNDUCLO-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001410746281 946882350 /nfs/dbraw/zinc/88/23/50/946882350.db2.gz WYHJJWLNNDUCLO-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001410827257 946996345 /nfs/dbraw/zinc/99/63/45/946996345.db2.gz WKHXVFUUTKTSII-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001410840626 947012077 /nfs/dbraw/zinc/01/20/77/947012077.db2.gz DARRBSNPGKXETF-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001410870747 947058575 /nfs/dbraw/zinc/05/85/75/947058575.db2.gz UGFALTPKZVGSMV-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@H]2CCCNC2=O)C(C)(C)C1 ZINC001410998325 947214466 /nfs/dbraw/zinc/21/44/66/947214466.db2.gz AVCSYAUWYQPZQO-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001261317502 947241686 /nfs/dbraw/zinc/24/16/86/947241686.db2.gz CSDZUVODAMNRHS-OAHLLOKOSA-N 1 3 322.453 0.237 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001261317502 947241695 /nfs/dbraw/zinc/24/16/95/947241695.db2.gz CSDZUVODAMNRHS-OAHLLOKOSA-N 1 3 322.453 0.237 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001411121411 947357328 /nfs/dbraw/zinc/35/73/28/947357328.db2.gz DDMWGRIGDHFWRX-CZUORRHYSA-N 1 3 323.437 0.152 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccsc1 ZINC001411124267 947360985 /nfs/dbraw/zinc/36/09/85/947360985.db2.gz JJOANYPJJPQTAJ-AWEZNQCLSA-N 1 3 313.467 0.997 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001324259940 947368988 /nfs/dbraw/zinc/36/89/88/947368988.db2.gz CUEHKJFXWJESOY-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)[C@H]1CN(C)CCN1C ZINC001462589043 1013074692 /nfs/dbraw/zinc/07/46/92/1013074692.db2.gz JBRSTZKWNHNBKX-GDBMZVCRSA-N 1 3 312.502 0.446 20 0 DCADHO CN(CC(=O)N(C)C1CC([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001411242536 947532454 /nfs/dbraw/zinc/53/24/54/947532454.db2.gz YWWTZMKPWXVDDI-UHFFFAOYSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@@H](NS(=O)(=O)CC[NH3+])CCN1Cc1ccccc1 ZINC000379641578 947836917 /nfs/dbraw/zinc/83/69/17/947836917.db2.gz YLJSYTQREHUYAL-HIFRSBDPSA-N 1 3 311.451 0.918 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)CC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001179472531 947848621 /nfs/dbraw/zinc/84/86/21/947848621.db2.gz NQZNBHUZAZFYHM-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179534420 947854152 /nfs/dbraw/zinc/85/41/52/947854152.db2.gz LLCZOZPMCSGDFG-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+]C[C@@H](O)COC)N(C)C ZINC001179609066 947874657 /nfs/dbraw/zinc/87/46/57/947874657.db2.gz FCTGJUWBOBIQSG-CABCVRRESA-N 1 3 317.474 0.600 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001487921730 948359616 /nfs/dbraw/zinc/35/96/16/948359616.db2.gz VSJSYXKZAAIBAZ-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001487921730 948359625 /nfs/dbraw/zinc/35/96/25/948359625.db2.gz VSJSYXKZAAIBAZ-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCO1 ZINC001327049557 948379975 /nfs/dbraw/zinc/37/99/75/948379975.db2.gz SHAANYINWJMJBN-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO COC(=O)[C@H](O)C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383175235 948740010 /nfs/dbraw/zinc/74/00/10/948740010.db2.gz FCDQJVUCEDDBLK-HZPDHXFCSA-N 1 3 306.406 0.974 20 0 DCADHO COC(=O)[C@H](O)C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383175235 948740015 /nfs/dbraw/zinc/74/00/15/948740015.db2.gz FCDQJVUCEDDBLK-HZPDHXFCSA-N 1 3 306.406 0.974 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001489240363 949656100 /nfs/dbraw/zinc/65/61/00/949656100.db2.gz OQQNBLNLIVKIBR-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001489240363 949656111 /nfs/dbraw/zinc/65/61/11/949656111.db2.gz OQQNBLNLIVKIBR-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCC(F)(F)F)C1 ZINC001265441616 949689390 /nfs/dbraw/zinc/68/93/90/949689390.db2.gz NPEAHDMKYXPWTO-NWDGAFQWSA-N 1 3 323.359 0.850 20 0 DCADHO COC[C@]1(CO)CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC001364715445 949798399 /nfs/dbraw/zinc/79/83/99/949798399.db2.gz UNQYVWCAAWVEOD-QGZVFWFLSA-N 1 3 313.486 0.733 20 0 DCADHO COC[C@]1(CO)CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC001364715445 949798415 /nfs/dbraw/zinc/79/84/15/949798415.db2.gz UNQYVWCAAWVEOD-QGZVFWFLSA-N 1 3 313.486 0.733 20 0 DCADHO CN(CCCNC(=O)CCC[NH+](C)C)[C@@H]1CCCN(C)C1=O ZINC001265912157 950127794 /nfs/dbraw/zinc/12/77/94/950127794.db2.gz PMGMVUODIFXNQS-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO O=C1CC[C@@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC000702640021 950333855 /nfs/dbraw/zinc/33/38/55/950333855.db2.gz ICFNBPJXXZRJTK-RDJZCZTQSA-N 1 3 303.406 0.492 20 0 DCADHO O=C1CC[C@@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000702640021 950333876 /nfs/dbraw/zinc/33/38/76/950333876.db2.gz ICFNBPJXXZRJTK-RDJZCZTQSA-N 1 3 303.406 0.492 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC[N@@H+]1C ZINC001266215411 950481049 /nfs/dbraw/zinc/48/10/49/950481049.db2.gz JTCFTZQUVFPDHG-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC[N@H+]1C ZINC001266215411 950481058 /nfs/dbraw/zinc/48/10/58/950481058.db2.gz JTCFTZQUVFPDHG-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[C@H]1CCCN1CC(N)=O)[NH+](C)C ZINC001266241057 950515791 /nfs/dbraw/zinc/51/57/91/950515791.db2.gz JBMXBRHPXOKSGK-DZGCQCFKSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[C@@H]1CCCN1CC(N)=O)[NH+](C)C ZINC001266241059 950516228 /nfs/dbraw/zinc/51/62/28/950516228.db2.gz JBMXBRHPXOKSGK-UKRRQHHQSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001330955750 950790079 /nfs/dbraw/zinc/79/00/79/950790079.db2.gz SZUTWFCONPHUFT-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001330955750 950790094 /nfs/dbraw/zinc/79/00/94/950790094.db2.gz SZUTWFCONPHUFT-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC/C=C/Cl)C2)CC[N@@H+]1C ZINC001280581595 950966114 /nfs/dbraw/zinc/96/61/14/950966114.db2.gz CRRQJKKBTRLSMF-FWSORDACSA-N 1 3 315.845 0.896 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC/C=C/Cl)C2)CC[N@H+]1C ZINC001280581595 950966125 /nfs/dbraw/zinc/96/61/25/950966125.db2.gz CRRQJKKBTRLSMF-FWSORDACSA-N 1 3 315.845 0.896 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC001331169449 950985838 /nfs/dbraw/zinc/98/58/38/950985838.db2.gz VWMPSMJTQVRXNY-MELADBBJSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001365340358 950995562 /nfs/dbraw/zinc/99/55/62/950995562.db2.gz FPPIZDVELFHURD-ZACQAIPSSA-N 1 3 314.470 0.535 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001365340358 950995576 /nfs/dbraw/zinc/99/55/76/950995576.db2.gz FPPIZDVELFHURD-ZACQAIPSSA-N 1 3 314.470 0.535 20 0 DCADHO CN1CCN(CCCN2CC[C@]3(CC[N@@H+](C4CC4)C3)C2=O)CC1 ZINC001274016620 951329629 /nfs/dbraw/zinc/32/96/29/951329629.db2.gz MVCCXUALRFZUMK-GOSISDBHSA-N 1 3 320.481 0.711 20 0 DCADHO CN1CCN(CCCN2CC[C@]3(CC[N@H+](C4CC4)C3)C2=O)CC1 ZINC001274016620 951329637 /nfs/dbraw/zinc/32/96/37/951329637.db2.gz MVCCXUALRFZUMK-GOSISDBHSA-N 1 3 320.481 0.711 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001274038112 951349003 /nfs/dbraw/zinc/34/90/03/951349003.db2.gz VNAVZCYEJZHIEQ-RJBQRTBHSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001274038112 951349017 /nfs/dbraw/zinc/34/90/17/951349017.db2.gz VNAVZCYEJZHIEQ-RJBQRTBHSA-N 1 3 310.442 0.243 20 0 DCADHO CN(CC(=O)NC[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001365833633 951597232 /nfs/dbraw/zinc/59/72/32/951597232.db2.gz JSVIHPDGVRJWIW-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001365838088 951603625 /nfs/dbraw/zinc/60/36/25/951603625.db2.gz AGXFDLONIYQBSO-AAVRWANBSA-N 1 3 312.458 0.192 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001365875780 951639610 /nfs/dbraw/zinc/63/96/10/951639610.db2.gz NZVBBTGKQIEQEE-JONQDZQNSA-N 1 3 309.454 0.489 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001365875780 951639612 /nfs/dbraw/zinc/63/96/12/951639612.db2.gz NZVBBTGKQIEQEE-JONQDZQNSA-N 1 3 309.454 0.489 20 0 DCADHO Cc1cc(CN2C[C@H]3C(=O)NC4(CC[NH+](C)CC4)[C@@H]3C2)n(C)n1 ZINC001275047258 951942383 /nfs/dbraw/zinc/94/23/83/951942383.db2.gz RWIPOMQESJXPPF-HUUCEWRRSA-N 1 3 317.437 0.371 20 0 DCADHO O=C(NCCCNC[C@@H](O)C[NH+]1CCCC1)c1cccs1 ZINC001335952391 952624902 /nfs/dbraw/zinc/62/49/02/952624902.db2.gz WLBOIEVZGOTWKP-CYBMUJFWSA-N 1 3 311.451 0.914 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001365887110 953364273 /nfs/dbraw/zinc/36/42/73/953364273.db2.gz HWSRDWXARYISNR-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001365919510 953411428 /nfs/dbraw/zinc/41/14/28/953411428.db2.gz DTYODLUTOHSSSG-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001366073060 953652221 /nfs/dbraw/zinc/65/22/21/953652221.db2.gz ALRAWPNZBUEKPD-CHWSQXEVSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001366073060 953652229 /nfs/dbraw/zinc/65/22/29/953652229.db2.gz ALRAWPNZBUEKPD-CHWSQXEVSA-N 1 3 306.414 0.049 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001366096313 953677731 /nfs/dbraw/zinc/67/77/31/953677731.db2.gz VZVUAXRGWMFMGG-KWCYVHTRSA-N 1 3 310.442 0.184 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366095080 953677812 /nfs/dbraw/zinc/67/78/12/953677812.db2.gz UKPHMUQLECFXEP-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001366100628 953685658 /nfs/dbraw/zinc/68/56/58/953685658.db2.gz YKOWQLPGZLRGRH-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001366099942 953685884 /nfs/dbraw/zinc/68/58/84/953685884.db2.gz BKTJTWUZFOIUMY-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001366112656 953702798 /nfs/dbraw/zinc/70/27/98/953702798.db2.gz RNBYTFBTVNFVKR-ZQDZILKHSA-N 1 3 313.442 0.103 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001366329762 954032063 /nfs/dbraw/zinc/03/20/63/954032063.db2.gz NEAFHMZOAQXHGA-HIFRSBDPSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001366329762 954032068 /nfs/dbraw/zinc/03/20/68/954032068.db2.gz NEAFHMZOAQXHGA-HIFRSBDPSA-N 1 3 324.469 0.622 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001366371023 954112382 /nfs/dbraw/zinc/11/23/82/954112382.db2.gz ZOEUXLKQWZOQPX-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccnn1C)N(C)C ZINC001366466221 954239319 /nfs/dbraw/zinc/23/93/19/954239319.db2.gz YXHWXSKHVGFWSY-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO CN(CCCNC(=O)CN(C)C1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283569882 954457321 /nfs/dbraw/zinc/45/73/21/954457321.db2.gz NIUFDRJLAFYSRX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)CN(C)C1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283569882 954457325 /nfs/dbraw/zinc/45/73/25/954457325.db2.gz NIUFDRJLAFYSRX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)CCc1ccnn1C ZINC001366592262 954475442 /nfs/dbraw/zinc/47/54/42/954475442.db2.gz LODXNXLGVACOAP-GJZGRUSLSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2cnn(C)c2)C1)N(C)C ZINC001366702231 954677554 /nfs/dbraw/zinc/67/75/54/954677554.db2.gz CCJGTWLRWGJRGN-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1)N(C)C ZINC001366702231 954677560 /nfs/dbraw/zinc/67/75/60/954677560.db2.gz CCJGTWLRWGJRGN-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)[C@H]1C ZINC001283927784 954721621 /nfs/dbraw/zinc/72/16/21/954721621.db2.gz NRMWVNIFANJIJB-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001366768856 954811033 /nfs/dbraw/zinc/81/10/33/954811033.db2.gz PSMBERRSQGSNIO-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001366768856 954811045 /nfs/dbraw/zinc/81/10/45/954811045.db2.gz PSMBERRSQGSNIO-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366836300 954910635 /nfs/dbraw/zinc/91/06/35/954910635.db2.gz QKHIHOIJMOCYDX-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)CC(N)=O)CC2)CC[N@@H+]1C ZINC001366876052 954976334 /nfs/dbraw/zinc/97/63/34/954976334.db2.gz AOHRMLKGIXOCBJ-LSDHHAIUSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN(C)CC(N)=O)CC2)CC[N@H+]1C ZINC001366876052 954976350 /nfs/dbraw/zinc/97/63/50/954976350.db2.gz AOHRMLKGIXOCBJ-LSDHHAIUSA-N 1 3 324.469 0.372 20 0 DCADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC001350063960 954980932 /nfs/dbraw/zinc/98/09/32/954980932.db2.gz VZTWRILDMOKCSG-RBSFLKMASA-N 1 3 322.453 0.317 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001350091175 954989928 /nfs/dbraw/zinc/98/99/28/954989928.db2.gz UDPFGSXQFZLLGE-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001350165012 955004353 /nfs/dbraw/zinc/00/43/53/955004353.db2.gz PSNFIVHPAVNNAG-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001350165012 955004361 /nfs/dbraw/zinc/00/43/61/955004361.db2.gz PSNFIVHPAVNNAG-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(C[C@@H](O)CNC/C=C/Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001284444298 955098757 /nfs/dbraw/zinc/09/87/57/955098757.db2.gz IHLDDIIHDWMIFN-NTYUQYKDSA-N 1 3 303.834 0.490 20 0 DCADHO CN(C[C@H](O)CNC/C=C\Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001284444296 955099385 /nfs/dbraw/zinc/09/93/85/955099385.db2.gz IHLDDIIHDWMIFN-DJFZKKHWSA-N 1 3 303.834 0.490 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCC(F)(F)F)N(C)C ZINC001284456727 955108072 /nfs/dbraw/zinc/10/80/72/955108072.db2.gz NTGFTWXMMHNSSA-QWRGUYRKSA-N 1 3 313.364 0.688 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)NC(C)C ZINC001367115594 955337493 /nfs/dbraw/zinc/33/74/93/955337493.db2.gz PBHBEBKVMUYXEE-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC(=O)N(C)C ZINC001367134536 955376476 /nfs/dbraw/zinc/37/64/76/955376476.db2.gz QCTIBXZOFIVICU-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001367184130 955441931 /nfs/dbraw/zinc/44/19/31/955441931.db2.gz RJLQNCGVEDBTNI-ZQDZILKHSA-N 1 3 315.458 0.351 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367221269 955475425 /nfs/dbraw/zinc/47/54/25/955475425.db2.gz GEEZKLDRRUNOJR-CQSZACIVSA-N 1 3 324.469 0.705 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001367221269 955475431 /nfs/dbraw/zinc/47/54/31/955475431.db2.gz GEEZKLDRRUNOJR-CQSZACIVSA-N 1 3 324.469 0.705 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001367220856 955475457 /nfs/dbraw/zinc/47/54/57/955475457.db2.gz GWDXGMCSQLUUBW-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367227228 955486009 /nfs/dbraw/zinc/48/60/09/955486009.db2.gz RCSMZXONRPYYKY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367227228 955486018 /nfs/dbraw/zinc/48/60/18/955486018.db2.gz RCSMZXONRPYYKY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccnn1C)N(C)C ZINC001367255504 955538452 /nfs/dbraw/zinc/53/84/52/955538452.db2.gz XIUQQMKYQWVXBG-HIFRSBDPSA-N 1 3 309.458 0.848 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001367318774 955638302 /nfs/dbraw/zinc/63/83/02/955638302.db2.gz RLHLBYVJXFTLLZ-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)NC3CC3)CCCC2)C1 ZINC001367326515 955648629 /nfs/dbraw/zinc/64/86/29/955648629.db2.gz GAPHCVLSWWDKEF-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)NC3CC3)CCCC2)C1 ZINC001367326515 955648638 /nfs/dbraw/zinc/64/86/38/955648638.db2.gz GAPHCVLSWWDKEF-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001353415755 956055154 /nfs/dbraw/zinc/05/51/54/956055154.db2.gz KABXQWLRRVEBTG-CABCVRRESA-N 1 3 312.458 0.615 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001355281496 956625152 /nfs/dbraw/zinc/62/51/52/956625152.db2.gz XXAZYKNAZXBDIH-LSDHHAIUSA-N 1 3 317.499 0.427 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001367367001 957726713 /nfs/dbraw/zinc/72/67/13/957726713.db2.gz VRCSEGGJJXKTCZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO COc1ncc(CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C)c(C)n1 ZINC001367377025 957740927 /nfs/dbraw/zinc/74/09/27/957740927.db2.gz OGFVHXIFYXZDTF-GFCCVEGCSA-N 1 3 323.441 0.682 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC)C1 ZINC001367381782 957745454 /nfs/dbraw/zinc/74/54/54/957745454.db2.gz JOSUWANBVRMJPJ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC)C1 ZINC001367381782 957745457 /nfs/dbraw/zinc/74/54/57/957745457.db2.gz JOSUWANBVRMJPJ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCCN(CCCO)C1 ZINC001367478030 957872702 /nfs/dbraw/zinc/87/27/02/957872702.db2.gz CYCNYZJFLNHPSQ-PMPSAXMXSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@H]1CCCN(CCCO)C1 ZINC001367478030 957872709 /nfs/dbraw/zinc/87/27/09/957872709.db2.gz CYCNYZJFLNHPSQ-PMPSAXMXSA-N 1 3 324.469 0.759 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001367483549 957876968 /nfs/dbraw/zinc/87/69/68/957876968.db2.gz IYVRCIMJWBIWEG-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CC[C@@H]2CN(C(=O)c3ccnc(OCC[NH+](C)C)c3)C[C@@H]21 ZINC001361461461 957986907 /nfs/dbraw/zinc/98/69/07/957986907.db2.gz PLUCZOFRUDLSET-CABCVRRESA-N 1 3 318.421 0.798 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001367640212 958246247 /nfs/dbraw/zinc/24/62/47/958246247.db2.gz BRBOWTMYGAFDCE-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001367659829 958292493 /nfs/dbraw/zinc/29/24/93/958292493.db2.gz QGZIQUGXVLBNAH-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCc1nnc(CNC[C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001367674349 958331144 /nfs/dbraw/zinc/33/11/44/958331144.db2.gz GCRUDYAGJNECRD-YPMHNXCESA-N 1 3 321.425 0.568 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)c1ccnc(-n2cccc2)c1 ZINC001367674394 958331405 /nfs/dbraw/zinc/33/14/05/958331405.db2.gz CCCDKYLFNYDJSV-VXGBXAGGSA-N 1 3 315.377 0.454 20 0 DCADHO COc1cc(C(=O)N[C@H](C)C[NH2+]Cc2cc(C)n(C)n2)ncn1 ZINC001367673383 958332792 /nfs/dbraw/zinc/33/27/92/958332792.db2.gz CZUBGQBUGFJEMZ-SNVBAGLBSA-N 1 3 318.381 0.435 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367692029 958375136 /nfs/dbraw/zinc/37/51/36/958375136.db2.gz IOZCQOBALIBMLT-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001367713994 958429133 /nfs/dbraw/zinc/42/91/33/958429133.db2.gz GUEQUPPPCWILMJ-GFCCVEGCSA-N 1 3 300.447 0.336 20 0 DCADHO Cc1nccn1CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001361952060 958531252 /nfs/dbraw/zinc/53/12/52/958531252.db2.gz YARQGJZOKCYFOP-INIZCTEOSA-N 1 3 319.453 0.818 20 0 DCADHO Cc1nccn1CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001361952060 958531256 /nfs/dbraw/zinc/53/12/56/958531256.db2.gz YARQGJZOKCYFOP-INIZCTEOSA-N 1 3 319.453 0.818 20 0 DCADHO Cc1nccn1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001361952060 958531268 /nfs/dbraw/zinc/53/12/68/958531268.db2.gz YARQGJZOKCYFOP-INIZCTEOSA-N 1 3 319.453 0.818 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)CCC[NH+]2CCCC2)C1=O ZINC001367775877 958552845 /nfs/dbraw/zinc/55/28/45/958552845.db2.gz JLSGONLXZSYIDR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCn1nncc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367924297 958870763 /nfs/dbraw/zinc/87/07/63/958870763.db2.gz MWPVNZSPNBNARD-HIFRSBDPSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367924297 958870779 /nfs/dbraw/zinc/87/07/79/958870779.db2.gz MWPVNZSPNBNARD-HIFRSBDPSA-N 1 3 320.441 0.234 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001491578828 958872385 /nfs/dbraw/zinc/87/23/85/958872385.db2.gz HJSFCRPNXBMRQG-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN([C@H]2CCN(C)C2=O)CC1 ZINC001376894756 959086501 /nfs/dbraw/zinc/08/65/01/959086501.db2.gz IKSSWQMMYUCSHT-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN([C@H]2CCN(C)C2=O)CC1 ZINC001376894756 959086518 /nfs/dbraw/zinc/08/65/18/959086518.db2.gz IKSSWQMMYUCSHT-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001368115402 959271828 /nfs/dbraw/zinc/27/18/28/959271828.db2.gz JYQRFVKKBQOXBE-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001368122657 959287559 /nfs/dbraw/zinc/28/75/59/959287559.db2.gz NFGLZUWZWUABCE-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCNC1=O ZINC001377031212 959350185 /nfs/dbraw/zinc/35/01/85/959350185.db2.gz TYHVONLLBOHJTK-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001377037006 959366931 /nfs/dbraw/zinc/36/69/31/959366931.db2.gz QCLQTLNTDVDHIJ-CYBMUJFWSA-N 1 3 308.430 0.247 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368162003 959370955 /nfs/dbraw/zinc/37/09/55/959370955.db2.gz HOQSWYUDPDKLQM-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001377063778 959414107 /nfs/dbraw/zinc/41/41/07/959414107.db2.gz BRDKNNOOJDQWDW-IUODEOHRSA-N 1 3 303.422 0.676 20 0 DCADHO CCN1CCN(CCC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001362532613 959536057 /nfs/dbraw/zinc/53/60/57/959536057.db2.gz GYYNSQOCSPMASC-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001362532613 959536073 /nfs/dbraw/zinc/53/60/73/959536073.db2.gz GYYNSQOCSPMASC-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001492074544 959554119 /nfs/dbraw/zinc/55/41/19/959554119.db2.gz JJJZUOQUURQFFO-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001377177031 959630870 /nfs/dbraw/zinc/63/08/70/959630870.db2.gz HYAIBTHWPFGZHT-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001368412300 959826169 /nfs/dbraw/zinc/82/61/69/959826169.db2.gz DSOVRQOUDFZPQE-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001368451893 959884562 /nfs/dbraw/zinc/88/45/62/959884562.db2.gz QECOPWCENCSPEI-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1nn(C)cc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001368483722 959926006 /nfs/dbraw/zinc/92/60/06/959926006.db2.gz FZBDALMMDDSMBX-CQSZACIVSA-N 1 3 319.453 0.809 20 0 DCADHO Cc1nn(C)cc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001368483722 959926014 /nfs/dbraw/zinc/92/60/14/959926014.db2.gz FZBDALMMDDSMBX-CQSZACIVSA-N 1 3 319.453 0.809 20 0 DCADHO COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001368575974 960050812 /nfs/dbraw/zinc/05/08/12/960050812.db2.gz IEQMEGKIKKMHJX-KBPBESRZSA-N 1 3 313.442 0.323 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001368606578 960080495 /nfs/dbraw/zinc/08/04/95/960080495.db2.gz LWBAZWDGXCHAKI-JOCQHMNTSA-N 1 3 308.430 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001368606578 960080501 /nfs/dbraw/zinc/08/05/01/960080501.db2.gz LWBAZWDGXCHAKI-JOCQHMNTSA-N 1 3 308.430 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN(Cc2cnn(C)c2)C1)[NH+](C)C ZINC001377436113 960096430 /nfs/dbraw/zinc/09/64/30/960096430.db2.gz CARDOHIEQXIVIX-HOCLYGCPSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN(Cc2cnn(C)c2)C1)[NH+](C)C ZINC001377436115 960097547 /nfs/dbraw/zinc/09/75/47/960097547.db2.gz CARDOHIEQXIVIX-ZBFHGGJFSA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@@H](C)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368627289 960104314 /nfs/dbraw/zinc/10/43/14/960104314.db2.gz YCQCFODFXGEBNT-CJNGLKHVSA-N 1 3 308.426 0.941 20 0 DCADHO CO[C@H](C)C[NH2+][C@]1(CO)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001368634401 960108261 /nfs/dbraw/zinc/10/82/61/960108261.db2.gz ZZFHPMHYYSSJBY-GDBMZVCRSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368652703 960124495 /nfs/dbraw/zinc/12/44/95/960124495.db2.gz MRXMZNRXGUTIAN-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nnsc1CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377523634 960226178 /nfs/dbraw/zinc/22/61/78/960226178.db2.gz LCHDWLIPQBDSGL-CMPLNLGQSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377523634 960226188 /nfs/dbraw/zinc/22/61/88/960226188.db2.gz LCHDWLIPQBDSGL-CMPLNLGQSA-N 1 3 311.455 0.783 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001377573948 960302009 /nfs/dbraw/zinc/30/20/09/960302009.db2.gz CVOBCDJEEVBULZ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001377573948 960302021 /nfs/dbraw/zinc/30/20/21/960302021.db2.gz CVOBCDJEEVBULZ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC1CCCC1 ZINC001377591346 960329175 /nfs/dbraw/zinc/32/91/75/960329175.db2.gz RJDVPUQCLKKBDN-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377599464 960344571 /nfs/dbraw/zinc/34/45/71/960344571.db2.gz ASZBNHOGAKHPGN-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316824995 960357020 /nfs/dbraw/zinc/35/70/20/960357020.db2.gz ZJNCPKOBMWCOBS-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001378317511 960572977 /nfs/dbraw/zinc/57/29/77/960572977.db2.gz LUFJBCYZGHIPDE-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001378317511 960572993 /nfs/dbraw/zinc/57/29/93/960572993.db2.gz LUFJBCYZGHIPDE-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](CC)C(N)=O)C1 ZINC001377766738 960610707 /nfs/dbraw/zinc/61/07/07/960610707.db2.gz XUWYZHBVKYQQOS-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](CC)C(N)=O)C1 ZINC001377766738 960610728 /nfs/dbraw/zinc/61/07/28/960610728.db2.gz XUWYZHBVKYQQOS-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)CC1 ZINC001378505066 960895272 /nfs/dbraw/zinc/89/52/72/960895272.db2.gz KVJZHWVPJRZMIK-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001378691758 961289196 /nfs/dbraw/zinc/28/91/96/961289196.db2.gz RNIVGYBCHYQZIJ-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001378691758 961289210 /nfs/dbraw/zinc/28/92/10/961289210.db2.gz RNIVGYBCHYQZIJ-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001378145613 961526033 /nfs/dbraw/zinc/52/60/33/961526033.db2.gz IGUBLBIYJBDJLH-KBPBESRZSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001378145613 961526044 /nfs/dbraw/zinc/52/60/44/961526044.db2.gz IGUBLBIYJBDJLH-KBPBESRZSA-N 1 3 303.422 0.581 20 0 DCADHO CN(CCC1CCN(C(=O)CC[NH+](C)C)CC1)[C@@H]1CCNC1=O ZINC001378923195 961709144 /nfs/dbraw/zinc/70/91/44/961709144.db2.gz XKILIUXFIZWSMO-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001378934822 961728910 /nfs/dbraw/zinc/72/89/10/961728910.db2.gz MYCJHUZUTBYLMD-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001378934822 961728914 /nfs/dbraw/zinc/72/89/14/961728914.db2.gz MYCJHUZUTBYLMD-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CN1CCOCC1)C[N@@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC001363785076 961873408 /nfs/dbraw/zinc/87/34/08/961873408.db2.gz MAWMKSWNANGFDV-HOTGVXAUSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H](CN1CCOCC1)C[N@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC001363785076 961873433 /nfs/dbraw/zinc/87/34/33/961873433.db2.gz MAWMKSWNANGFDV-HOTGVXAUSA-N 1 3 313.486 0.732 20 0 DCADHO CC[C@H](C(=O)N1CC[C@](C)(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001379750993 961936507 /nfs/dbraw/zinc/93/65/07/961936507.db2.gz NJCJBARHTMTMQP-CJNGLKHVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001379778688 962013943 /nfs/dbraw/zinc/01/39/43/962013943.db2.gz VSVHUZYBMMRUPN-XJKSGUPXSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+]1CCC(CNCc2ccc(CO)o2)(N2CCOCC2)CC1 ZINC001363886388 962078552 /nfs/dbraw/zinc/07/85/52/962078552.db2.gz LRVCVWVFIHMPPA-UHFFFAOYSA-N 1 3 323.437 0.658 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CCc1ccnn1C)N(C)C ZINC001379125927 962156020 /nfs/dbraw/zinc/15/60/20/962156020.db2.gz KLPOTIJGOHAWNZ-OAHLLOKOSA-N 1 3 309.458 0.693 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001379125927 962156030 /nfs/dbraw/zinc/15/60/30/962156030.db2.gz KLPOTIJGOHAWNZ-OAHLLOKOSA-N 1 3 309.458 0.693 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001379871724 962187024 /nfs/dbraw/zinc/18/70/24/962187024.db2.gz LTPOCROBJOFLEO-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001379871724 962187030 /nfs/dbraw/zinc/18/70/30/962187030.db2.gz LTPOCROBJOFLEO-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001379151396 962208815 /nfs/dbraw/zinc/20/88/15/962208815.db2.gz UMUSVAZMSKQEDI-STQMWFEESA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001379899512 962242542 /nfs/dbraw/zinc/24/25/42/962242542.db2.gz UCXQUQBMNSEJMD-JSGCOSHPSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H](CN[C@H]2CCNC2=O)C2CC2)CC1 ZINC001379901452 962242633 /nfs/dbraw/zinc/24/26/33/962242633.db2.gz GALOIWNCFMTEQN-GJZGRUSLSA-N 1 3 322.453 0.091 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001379205202 962362182 /nfs/dbraw/zinc/36/21/82/962362182.db2.gz KBBSHHAYJXICRO-HNNXBMFYSA-N 1 3 323.412 0.877 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001379256626 962474388 /nfs/dbraw/zinc/47/43/88/962474388.db2.gz ULZICTQGWCZMQF-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001380078564 962622934 /nfs/dbraw/zinc/62/29/34/962622934.db2.gz WKHALQYNQURAMH-AWEZNQCLSA-N 1 3 309.458 0.992 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1)[NH+](C)C ZINC001380133073 962737107 /nfs/dbraw/zinc/73/71/07/962737107.db2.gz FNJGQHNLRKCKKX-CHWSQXEVSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)C1CC(NCc2ccnn2C)C1 ZINC001380167734 962811456 /nfs/dbraw/zinc/81/14/56/962811456.db2.gz OHQLIBNTLXSUOZ-UHFFFAOYSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001380172438 962822828 /nfs/dbraw/zinc/82/28/28/962822828.db2.gz PVWCWSIIAUIVLM-BCLQGDPASA-N 1 3 321.469 0.882 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001379416090 962876860 /nfs/dbraw/zinc/87/68/60/962876860.db2.gz JUDAJIARZINJCI-ABAIWWIYSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001379416090 962876869 /nfs/dbraw/zinc/87/68/69/962876869.db2.gz JUDAJIARZINJCI-ABAIWWIYSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001379416090 962876880 /nfs/dbraw/zinc/87/68/80/962876880.db2.gz JUDAJIARZINJCI-ABAIWWIYSA-N 1 3 316.421 0.039 20 0 DCADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001364318159 962886324 /nfs/dbraw/zinc/88/63/24/962886324.db2.gz VWCUPPGZYZIICI-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001364318159 962886330 /nfs/dbraw/zinc/88/63/30/962886330.db2.gz VWCUPPGZYZIICI-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001379448179 962948296 /nfs/dbraw/zinc/94/82/96/962948296.db2.gz FYUGFYUIARMGQS-GHMZBOCLSA-N 1 3 306.414 0.364 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001380269231 962959130 /nfs/dbraw/zinc/95/91/30/962959130.db2.gz IODKEPHXMOAJGV-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001379456571 962964660 /nfs/dbraw/zinc/96/46/60/962964660.db2.gz NZYGMIORBKGCRP-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001379456571 962964676 /nfs/dbraw/zinc/96/46/76/962964676.db2.gz NZYGMIORBKGCRP-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001379467226 962987782 /nfs/dbraw/zinc/98/77/82/962987782.db2.gz TUCFIOROPZEBIB-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cccc(C)c1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379529624 963137567 /nfs/dbraw/zinc/13/75/67/963137567.db2.gz QPSOGEUFOVXMRU-CVEARBPZSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cccc(C)c1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379529624 963137572 /nfs/dbraw/zinc/13/75/72/963137572.db2.gz QPSOGEUFOVXMRU-CVEARBPZSA-N 1 3 319.449 0.822 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001380427907 963190259 /nfs/dbraw/zinc/19/02/59/963190259.db2.gz ZAOHVHOCIPSNGJ-WMLDXEAASA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)[C@H]1C ZINC001379567882 963192666 /nfs/dbraw/zinc/19/26/66/963192666.db2.gz KIASGZPGOJHTQH-GDBMZVCRSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC(=O)N(C)C)CCC2)CC[N@@H+]1C ZINC001380857025 963636196 /nfs/dbraw/zinc/63/61/96/963636196.db2.gz OGHVCWKLCSSSJA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC(=O)N(C)C)CCC2)CC[N@H+]1C ZINC001380857025 963636200 /nfs/dbraw/zinc/63/62/00/963636200.db2.gz OGHVCWKLCSSSJA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001381193382 963882870 /nfs/dbraw/zinc/88/28/70/963882870.db2.gz CQZIKVBGVYCQOD-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NCc1nccn1C ZINC001381214611 963897140 /nfs/dbraw/zinc/89/71/40/963897140.db2.gz SJKRRACBTHZSRK-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NCc1nccn1C ZINC001381214611 963897143 /nfs/dbraw/zinc/89/71/43/963897143.db2.gz SJKRRACBTHZSRK-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001430431350 1013463615 /nfs/dbraw/zinc/46/36/15/1013463615.db2.gz PRFHQRJYEKEXLS-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001381388965 964045163 /nfs/dbraw/zinc/04/51/63/964045163.db2.gz KYWNRKNMLFFRBE-OLZOCXBDSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001447583150 1013476396 /nfs/dbraw/zinc/47/63/96/1013476396.db2.gz VVLDGJNXJUOMRL-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001375271390 964193156 /nfs/dbraw/zinc/19/31/56/964193156.db2.gz MXYVZBNVXGAYNJ-WFASDCNBSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001375271390 964193163 /nfs/dbraw/zinc/19/31/63/964193163.db2.gz MXYVZBNVXGAYNJ-WFASDCNBSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001369250523 964597494 /nfs/dbraw/zinc/59/74/94/964597494.db2.gz MWRGCXZOHZTZTE-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001375744988 964787137 /nfs/dbraw/zinc/78/71/37/964787137.db2.gz BCLAQZSLSLMWHN-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001375744988 964787138 /nfs/dbraw/zinc/78/71/38/964787138.db2.gz BCLAQZSLSLMWHN-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001373971225 964834280 /nfs/dbraw/zinc/83/42/80/964834280.db2.gz BBQVJOMFWXPPKX-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001369439717 964978793 /nfs/dbraw/zinc/97/87/93/964978793.db2.gz ZZHRWPSCSDVNRW-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C)C(N)=O ZINC001369453200 965001058 /nfs/dbraw/zinc/00/10/58/965001058.db2.gz FEHFPVAODWDBHR-OLZOCXBDSA-N 1 3 312.458 0.417 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001369548480 965161535 /nfs/dbraw/zinc/16/15/35/965161535.db2.gz BZKCVJUCRWWRHR-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001369548480 965161545 /nfs/dbraw/zinc/16/15/45/965161545.db2.gz BZKCVJUCRWWRHR-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C(=O)NCC1CC(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001369642894 965243553 /nfs/dbraw/zinc/24/35/53/965243553.db2.gz ZEVAUZHBDJETAY-RUXDESIVSA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001369755553 965360870 /nfs/dbraw/zinc/36/08/70/965360870.db2.gz GQCDEDVYZNOSQM-CABCVRRESA-N 1 3 313.442 0.011 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN(C)CCn1cccn1)[NH+](C)C ZINC001374502362 965456890 /nfs/dbraw/zinc/45/68/90/965456890.db2.gz KFPLZGHWMFTOSW-HNNXBMFYSA-N 1 3 309.458 0.860 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376296977 965491861 /nfs/dbraw/zinc/49/18/61/965491861.db2.gz PZLQDRVEANTGSU-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376296977 965491867 /nfs/dbraw/zinc/49/18/67/965491867.db2.gz PZLQDRVEANTGSU-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001374556312 965524075 /nfs/dbraw/zinc/52/40/75/965524075.db2.gz DBKFRAYEHMRMPM-UHFFFAOYSA-N 1 3 322.453 0.616 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001374556312 965524084 /nfs/dbraw/zinc/52/40/84/965524084.db2.gz DBKFRAYEHMRMPM-UHFFFAOYSA-N 1 3 322.453 0.616 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001376342469 965542545 /nfs/dbraw/zinc/54/25/45/965542545.db2.gz FPXDKCBAWIKBAY-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001376462968 965692254 /nfs/dbraw/zinc/69/22/54/965692254.db2.gz JXYXXCCSZIUYDT-BETUJISGSA-N 1 3 305.426 0.641 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374714239 965801678 /nfs/dbraw/zinc/80/16/78/965801678.db2.gz QDVFWODQQXULKA-BFHYXJOUSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374714239 965801684 /nfs/dbraw/zinc/80/16/84/965801684.db2.gz QDVFWODQQXULKA-BFHYXJOUSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C(=O)CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001376600873 965874907 /nfs/dbraw/zinc/87/49/07/965874907.db2.gz HTCHCZQYKSWYDX-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001370285787 965962211 /nfs/dbraw/zinc/96/22/11/965962211.db2.gz XILZVTMBSLSBFW-ZFWWWQNUSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001370285787 965962214 /nfs/dbraw/zinc/96/22/14/965962214.db2.gz XILZVTMBSLSBFW-ZFWWWQNUSA-N 1 3 305.426 0.356 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447877393 1013617890 /nfs/dbraw/zinc/61/78/90/1013617890.db2.gz LZNRZNBEPLGBEG-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]([NH2+]Cc1cncn1C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001447876098 1013617939 /nfs/dbraw/zinc/61/79/39/1013617939.db2.gz WYGCFDJXXCDWEQ-OLZOCXBDSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NCC1CCC1 ZINC001376743843 966105207 /nfs/dbraw/zinc/10/52/07/966105207.db2.gz GTIGUKCIRQUAJE-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001374933282 966155260 /nfs/dbraw/zinc/15/52/60/966155260.db2.gz GWRQDGVVYJIZIC-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001370650806 966334198 /nfs/dbraw/zinc/33/41/98/966334198.db2.gz PXTHQECKVYQQRE-QLFBSQMISA-N 1 3 307.442 0.540 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@H](CC)N(C)C ZINC001430650161 1013647355 /nfs/dbraw/zinc/64/73/55/1013647355.db2.gz FHWAKABHTRCIFQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001370709845 966403049 /nfs/dbraw/zinc/40/30/49/966403049.db2.gz FLIQORSDWKUVRY-XHSDSOJGSA-N 1 3 321.469 0.786 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001370708715 966404129 /nfs/dbraw/zinc/40/41/29/966404129.db2.gz AHPZMCHUFSSPAD-IJEWVQPXSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H](CNCc2cnns2)C1 ZINC001370826704 966517435 /nfs/dbraw/zinc/51/74/35/966517435.db2.gz DFUPNWVEMKASBO-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001370927144 966594919 /nfs/dbraw/zinc/59/49/19/966594919.db2.gz FYXOEBCFXQLGJL-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001370927144 966594924 /nfs/dbraw/zinc/59/49/24/966594924.db2.gz FYXOEBCFXQLGJL-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001371075725 966707003 /nfs/dbraw/zinc/70/70/03/966707003.db2.gz YZIIAMIJOFUZNU-HSBZDZAISA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001371212013 966816844 /nfs/dbraw/zinc/81/68/44/966816844.db2.gz LAVLATNTIGMLKT-HIFRSBDPSA-N 1 3 309.458 0.643 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)NC1CC1 ZINC001371211070 966817922 /nfs/dbraw/zinc/81/79/22/966817922.db2.gz ISFLENVRMGPPAC-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)NC1CC1 ZINC001371211070 966817929 /nfs/dbraw/zinc/81/79/29/966817929.db2.gz ISFLENVRMGPPAC-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1)[NH+](C)C ZINC001382163919 966996465 /nfs/dbraw/zinc/99/64/65/966996465.db2.gz XLFLJKVRGBVRFF-IUODEOHRSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382165552 966999212 /nfs/dbraw/zinc/99/92/12/966999212.db2.gz VFWWBSLCLQTPII-GXTWGEPZSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382165552 966999217 /nfs/dbraw/zinc/99/92/17/966999217.db2.gz VFWWBSLCLQTPII-GXTWGEPZSA-N 1 3 307.442 0.617 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448003854 1013697452 /nfs/dbraw/zinc/69/74/52/1013697452.db2.gz AMRGQZPFAZHXHM-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448003854 1013697461 /nfs/dbraw/zinc/69/74/61/1013697461.db2.gz AMRGQZPFAZHXHM-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001371610769 967170246 /nfs/dbraw/zinc/17/02/46/967170246.db2.gz DHOXZZZYIHXYTR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001382306829 967191632 /nfs/dbraw/zinc/19/16/32/967191632.db2.gz CJUOLLNKXIRRHN-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001382306829 967191638 /nfs/dbraw/zinc/19/16/38/967191638.db2.gz CJUOLLNKXIRRHN-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001382317597 967210076 /nfs/dbraw/zinc/21/00/76/967210076.db2.gz SYSCLUFKKWJRNG-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001382392340 967315715 /nfs/dbraw/zinc/31/57/15/967315715.db2.gz WVJCOUXRHCTLQH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)Nc1ccon1 ZINC001371871824 967409557 /nfs/dbraw/zinc/40/95/57/967409557.db2.gz BUNOBFGYHUNKRE-VXGBXAGGSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)Nc1ccon1 ZINC001371871824 967409560 /nfs/dbraw/zinc/40/95/60/967409560.db2.gz BUNOBFGYHUNKRE-VXGBXAGGSA-N 1 3 323.397 0.049 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1)N(C)C ZINC001372624182 968190373 /nfs/dbraw/zinc/19/03/73/968190373.db2.gz KMNZYGQFDRCYFC-XJFOESAGSA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN[C@@H]1CCCNC1=O)[NH+](CC)CC ZINC001372944969 968553681 /nfs/dbraw/zinc/55/36/81/968553681.db2.gz IYHWDCYTXCXRDB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373161865 968772463 /nfs/dbraw/zinc/77/24/63/968772463.db2.gz UDOXJCFGMBUVKM-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373161865 968772472 /nfs/dbraw/zinc/77/24/72/968772472.db2.gz UDOXJCFGMBUVKM-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CCCC[C@H](CN[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001448255618 1013846725 /nfs/dbraw/zinc/84/67/25/1013846725.db2.gz ARIOZTVEQMCVQH-KGLIPLIRSA-N 1 3 322.453 0.235 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001373459055 969120585 /nfs/dbraw/zinc/12/05/85/969120585.db2.gz NYKARBSJSQLOBX-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001373459055 969120594 /nfs/dbraw/zinc/12/05/94/969120594.db2.gz NYKARBSJSQLOBX-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001431028466 1013875443 /nfs/dbraw/zinc/87/54/43/1013875443.db2.gz AYZZFHKAQHODKB-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001448597318 1013962076 /nfs/dbraw/zinc/96/20/76/1013962076.db2.gz SXFDVAROWQYBNK-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCc1ccnn1C)C1CC1 ZINC001448596124 1013962531 /nfs/dbraw/zinc/96/25/31/1013962531.db2.gz QNBCSSQTOYPJDA-OAHLLOKOSA-N 1 3 307.442 0.698 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001448771579 1014032570 /nfs/dbraw/zinc/03/25/70/1014032570.db2.gz FTHJOHIZXNCUCF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(C)C)C[C@@H]1C ZINC001449022624 1014139807 /nfs/dbraw/zinc/13/98/07/1014139807.db2.gz VZKXYAVNMHZDFJ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC(C)C)C[C@@H]1C ZINC001449022624 1014139808 /nfs/dbraw/zinc/13/98/08/1014139808.db2.gz VZKXYAVNMHZDFJ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549121992 1014140033 /nfs/dbraw/zinc/14/00/33/1014140033.db2.gz AWEHRMQOFPHTOY-WBMJQRKESA-N 1 3 303.362 0.343 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001528480185 1014309479 /nfs/dbraw/zinc/30/94/79/1014309479.db2.gz QXTKVZQVXCLJRQ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001528480185 1014309493 /nfs/dbraw/zinc/30/94/93/1014309493.db2.gz QXTKVZQVXCLJRQ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449288534 1014385641 /nfs/dbraw/zinc/38/56/41/1014385641.db2.gz DXKIIGFXJFXMRK-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO N[C@H](CC(F)F)C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549724921 1014425426 /nfs/dbraw/zinc/42/54/26/1014425426.db2.gz IRCBCSXOJVZWTN-GXSJLCMTSA-N 1 3 313.352 0.218 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001522922635 1014474573 /nfs/dbraw/zinc/47/45/73/1014474573.db2.gz PRKCOEGDVMIZIX-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001522922635 1014474578 /nfs/dbraw/zinc/47/45/78/1014474578.db2.gz PRKCOEGDVMIZIX-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3[NH2+]2)CC1 ZINC001550085308 1014555034 /nfs/dbraw/zinc/55/50/34/1014555034.db2.gz HNZOSKSKPWWHJH-KKUMJFAQSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449613215 1014585796 /nfs/dbraw/zinc/58/57/96/1014585796.db2.gz UTZTUDBHLILWRV-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449613215 1014585806 /nfs/dbraw/zinc/58/58/06/1014585806.db2.gz UTZTUDBHLILWRV-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550122794 1014586682 /nfs/dbraw/zinc/58/66/82/1014586682.db2.gz KCDJMTAJSHQYOB-KWCYVHTRSA-N 1 3 304.398 0.121 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001550194959 1014621555 /nfs/dbraw/zinc/62/15/55/1014621555.db2.gz SVFZANFQLJOHHN-ARFHVFGLSA-N 1 3 324.469 0.758 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001550194959 1014621560 /nfs/dbraw/zinc/62/15/60/1014621560.db2.gz SVFZANFQLJOHHN-ARFHVFGLSA-N 1 3 324.469 0.758 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC001550202570 1014626101 /nfs/dbraw/zinc/62/61/01/1014626101.db2.gz OUCUFQVECFKKIP-CQSZACIVSA-N 1 3 322.453 0.446 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC1CC([NH+]2CCCC2)C1 ZINC001550390177 1014688544 /nfs/dbraw/zinc/68/85/44/1014688544.db2.gz CVRPILZRAZIDPK-UHFFFAOYSA-N 1 3 305.426 0.801 20 0 DCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)CN(C)C(C)C)C2 ZINC001550483214 1014730804 /nfs/dbraw/zinc/73/08/04/1014730804.db2.gz WWFYXAYFDSBRCB-OTRWWLKZSA-N 1 3 311.470 0.923 20 0 DCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NC(=O)CN(C)C(C)C)C2 ZINC001550483214 1014730814 /nfs/dbraw/zinc/73/08/14/1014730814.db2.gz WWFYXAYFDSBRCB-OTRWWLKZSA-N 1 3 311.470 0.923 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001523699271 1014735549 /nfs/dbraw/zinc/73/55/49/1014735549.db2.gz LNOOFRVGQIHMQL-ZDUSSCGKSA-N 1 3 321.425 0.177 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001523699271 1014735559 /nfs/dbraw/zinc/73/55/59/1014735559.db2.gz LNOOFRVGQIHMQL-ZDUSSCGKSA-N 1 3 321.425 0.177 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001530575734 1014817674 /nfs/dbraw/zinc/81/76/74/1014817674.db2.gz HBXWZEYEPQBQQK-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001530575734 1014817683 /nfs/dbraw/zinc/81/76/83/1014817683.db2.gz HBXWZEYEPQBQQK-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001550736518 1014827481 /nfs/dbraw/zinc/82/74/81/1014827481.db2.gz ROPUCKVXPCJOJZ-SQWLQELKSA-N 1 3 318.421 0.631 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550755161 1014841724 /nfs/dbraw/zinc/84/17/24/1014841724.db2.gz NGOYNTNPVOCAJM-LSDHHAIUSA-N 1 3 324.469 0.929 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001550763309 1014853736 /nfs/dbraw/zinc/85/37/36/1014853736.db2.gz LDVFDXQSBJXTSP-ULQDDVLXSA-N 1 3 314.433 0.952 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1 ZINC001530960056 1015003287 /nfs/dbraw/zinc/00/32/87/1015003287.db2.gz JXFSARDSZXCEJG-ILXRZTDVSA-N 1 3 322.453 0.092 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001383406864 984807408 /nfs/dbraw/zinc/80/74/08/984807408.db2.gz WWTWLIRWJQPVEC-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001383406864 984807431 /nfs/dbraw/zinc/80/74/31/984807431.db2.gz WWTWLIRWJQPVEC-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)CC[NH+](C)C)C2)N(C)C ZINC001383621012 984955409 /nfs/dbraw/zinc/95/54/09/984955409.db2.gz XYSBQAYRVOXZSB-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001384064479 985331305 /nfs/dbraw/zinc/33/13/05/985331305.db2.gz FUTOTTBVRJNQRY-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CCO1 ZINC001551524886 1015125448 /nfs/dbraw/zinc/12/54/48/1015125448.db2.gz RNABFSVAKLGXSL-KBMXLJTQSA-N 1 3 318.421 0.583 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551583040 1015145020 /nfs/dbraw/zinc/14/50/20/1015145020.db2.gz RQOURBVHMXDHBD-KKVZTGDRSA-N 1 3 322.453 0.761 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC001551587515 1015148995 /nfs/dbraw/zinc/14/89/95/1015148995.db2.gz WMFGCTTTXRLWAP-MYMJJRTCSA-N 1 3 310.442 0.666 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001385223076 986167632 /nfs/dbraw/zinc/16/76/32/986167632.db2.gz BLAIMGCHYATAKW-GFCCVEGCSA-N 1 3 307.398 0.011 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001386013602 986753211 /nfs/dbraw/zinc/75/32/11/986753211.db2.gz KDXHCLDNFYEQSC-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001386790419 987400525 /nfs/dbraw/zinc/40/05/25/987400525.db2.gz GBIWATBPNNJNKZ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001386790419 987400527 /nfs/dbraw/zinc/40/05/27/987400527.db2.gz GBIWATBPNNJNKZ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001387004751 987559009 /nfs/dbraw/zinc/55/90/09/987559009.db2.gz AITUKKKGTUXPIY-NSHDSACASA-N 1 3 309.414 0.223 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001387004751 987559010 /nfs/dbraw/zinc/55/90/10/987559010.db2.gz AITUKKKGTUXPIY-NSHDSACASA-N 1 3 309.414 0.223 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001387008217 987562125 /nfs/dbraw/zinc/56/21/25/987562125.db2.gz KMWIGFWSQHXYAJ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001387008217 987562130 /nfs/dbraw/zinc/56/21/30/987562130.db2.gz KMWIGFWSQHXYAJ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001387108704 987639608 /nfs/dbraw/zinc/63/96/08/987639608.db2.gz IWQOABCRNPTRJU-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CN1CCC[C@@H]1C(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001387489797 987866123 /nfs/dbraw/zinc/86/61/23/987866123.db2.gz MQLJQSPBJKOSLN-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001387489797 987866128 /nfs/dbraw/zinc/86/61/28/987866128.db2.gz MQLJQSPBJKOSLN-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc[n+]([O-])c1 ZINC001526913844 1015353969 /nfs/dbraw/zinc/35/39/69/1015353969.db2.gz FGOSEIYIPGAARF-ZDUSSCGKSA-N 1 3 309.414 0.714 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc[n+]([O-])c1 ZINC001526913844 1015353980 /nfs/dbraw/zinc/35/39/80/1015353980.db2.gz FGOSEIYIPGAARF-ZDUSSCGKSA-N 1 3 309.414 0.714 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001387854006 988217943 /nfs/dbraw/zinc/21/79/43/988217943.db2.gz HMJRYJNUODIPCH-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001387886724 988252776 /nfs/dbraw/zinc/25/27/76/988252776.db2.gz SDLPRONZIMYOFR-UKRRQHHQSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001387886724 988252786 /nfs/dbraw/zinc/25/27/86/988252786.db2.gz SDLPRONZIMYOFR-UKRRQHHQSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)NCCN(CC)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001388450764 988324266 /nfs/dbraw/zinc/32/42/66/988324266.db2.gz VNWFHKSMDYCLKU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001387960319 988331285 /nfs/dbraw/zinc/33/12/85/988331285.db2.gz XDACWZCUCJVTQH-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001388682898 988507586 /nfs/dbraw/zinc/50/75/86/988507586.db2.gz TVTNAOFHSNAFKJ-MBNYWOFBSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001388699344 988520879 /nfs/dbraw/zinc/52/08/79/988520879.db2.gz RNJBIFVLOCSJHP-KWCYVHTRSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCN1 ZINC001552436785 1015435264 /nfs/dbraw/zinc/43/52/64/1015435264.db2.gz HHKZNGSFECISLK-KGLIPLIRSA-N 1 3 320.441 0.663 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC001552436871 1015435685 /nfs/dbraw/zinc/43/56/85/1015435685.db2.gz TZVIXFHLKVQXBR-SNVBAGLBSA-N 1 3 312.377 0.780 20 0 DCADHO CN(C(=O)c1cnnn1C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001552436828 1015435861 /nfs/dbraw/zinc/43/58/61/1015435861.db2.gz SDVDHWYQFCSYQB-UHFFFAOYSA-N 1 3 306.414 0.369 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN2CC[NH+](CCC3CC3)CC2)C1 ZINC001389429626 989235800 /nfs/dbraw/zinc/23/58/00/989235800.db2.gz OWYHSXNZVYAASF-MRXNPFEDSA-N 1 3 322.497 0.862 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001389827643 989617922 /nfs/dbraw/zinc/61/79/22/989617922.db2.gz RCLLZZAPHOVLNY-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)NC1CCC([NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001390266546 989947595 /nfs/dbraw/zinc/94/75/95/989947595.db2.gz RJLQNCGVEDBTNI-CVSAEHQPSA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001390472546 990130937 /nfs/dbraw/zinc/13/09/37/990130937.db2.gz BNOVLPUFTDFFHO-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001390476791 990134997 /nfs/dbraw/zinc/13/49/97/990134997.db2.gz HSMFKEDJMFPKKX-CYBMUJFWSA-N 1 3 320.437 0.245 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390511105 990162783 /nfs/dbraw/zinc/16/27/83/990162783.db2.gz OZUJZYPNKAEASX-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001390536507 990183517 /nfs/dbraw/zinc/18/35/17/990183517.db2.gz RQELFVLGJMEOFQ-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1cnc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cn1 ZINC001390599071 990232573 /nfs/dbraw/zinc/23/25/73/990232573.db2.gz XSZTYPXUQWDYQY-CQSZACIVSA-N 1 3 305.426 0.675 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001391106064 990591985 /nfs/dbraw/zinc/59/19/85/990591985.db2.gz NBDVJULFPSFZMM-CABCVRRESA-N 1 3 322.457 0.302 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001391106064 990591990 /nfs/dbraw/zinc/59/19/90/990591990.db2.gz NBDVJULFPSFZMM-CABCVRRESA-N 1 3 322.457 0.302 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001391285058 990719159 /nfs/dbraw/zinc/71/91/59/990719159.db2.gz XONYIWVTXJWWFH-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001391328780 990750100 /nfs/dbraw/zinc/75/01/00/990750100.db2.gz PBMUXJKKIWIRMJ-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001391328780 990750104 /nfs/dbraw/zinc/75/01/04/990750104.db2.gz PBMUXJKKIWIRMJ-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C[C@H](C)O)C1)[NH+]1CCCCC1 ZINC001391521850 990912736 /nfs/dbraw/zinc/91/27/36/990912736.db2.gz FTLKKZUPLZRRRM-GOEBONIOSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001391698898 991109514 /nfs/dbraw/zinc/10/95/14/991109514.db2.gz UXFREWCXALBIGA-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001391752895 991159541 /nfs/dbraw/zinc/15/95/41/991159541.db2.gz KOXFNWCMQAXZJA-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001391752897 991159800 /nfs/dbraw/zinc/15/98/00/991159800.db2.gz KOXFNWCMQAXZJA-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCC1CCN([C@@H]2CCNC2=O)CC1 ZINC001391850487 991221581 /nfs/dbraw/zinc/22/15/81/991221581.db2.gz PNEVOFSJVZAOMB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCC1CCN([C@@H]2CCNC2=O)CC1 ZINC001391850487 991221589 /nfs/dbraw/zinc/22/15/89/991221589.db2.gz PNEVOFSJVZAOMB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392060110 991451557 /nfs/dbraw/zinc/45/15/57/991451557.db2.gz KARGCFGKOWAURW-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392121242 991518283 /nfs/dbraw/zinc/51/82/83/991518283.db2.gz JRMORCFNIRTJCZ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1CNCC(N)=O ZINC001392199039 991599598 /nfs/dbraw/zinc/59/95/98/991599598.db2.gz VTWBQSWSZINEOJ-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001392503825 992015529 /nfs/dbraw/zinc/01/55/29/992015529.db2.gz QLBFNCLUWPAKCQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001392510134 992025605 /nfs/dbraw/zinc/02/56/05/992025605.db2.gz DDCQKRQOEDVLLB-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001392608789 992156872 /nfs/dbraw/zinc/15/68/72/992156872.db2.gz ODIVWABVOMHYGK-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCOCC2)CC1 ZINC001392949992 992576921 /nfs/dbraw/zinc/57/69/21/992576921.db2.gz VMSQLDSNMKKCLH-UHFFFAOYSA-N 1 3 306.410 0.926 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001392962931 992588150 /nfs/dbraw/zinc/58/81/50/992588150.db2.gz NLAVMVRYVVQJKA-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001392962931 992588160 /nfs/dbraw/zinc/58/81/60/992588160.db2.gz NLAVMVRYVVQJKA-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001393055255 992654786 /nfs/dbraw/zinc/65/47/86/992654786.db2.gz OLYWLJCCEBLKFD-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001393055255 992654790 /nfs/dbraw/zinc/65/47/90/992654790.db2.gz OLYWLJCCEBLKFD-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001393158635 992721694 /nfs/dbraw/zinc/72/16/94/992721694.db2.gz JBOMNHVKHWHFRE-YOEHRIQHSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001393158631 992722190 /nfs/dbraw/zinc/72/21/90/992722190.db2.gz JBOMNHVKHWHFRE-WMLDXEAASA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001393402990 992950326 /nfs/dbraw/zinc/95/03/26/992950326.db2.gz ZHGKHBJKPQUMNH-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001393563690 993087143 /nfs/dbraw/zinc/08/71/43/993087143.db2.gz XPNDRIRUBVGCKT-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001393563690 993087146 /nfs/dbraw/zinc/08/71/46/993087146.db2.gz XPNDRIRUBVGCKT-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)COC)CC1)N(C)C ZINC001393774050 993243802 /nfs/dbraw/zinc/24/38/02/993243802.db2.gz PPXUIHUJUITFBV-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001394003795 993405310 /nfs/dbraw/zinc/40/53/10/993405310.db2.gz OWBZCQRSSBDKMV-KBPBESRZSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001394193614 993534720 /nfs/dbraw/zinc/53/47/20/993534720.db2.gz UUNVTIOHWUHSJB-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCc1cnn(C)c1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001394324960 993622301 /nfs/dbraw/zinc/62/23/01/993622301.db2.gz CMLVYJMBQQVYAH-ZFWWWQNUSA-N 1 3 323.441 0.077 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](CNCC(=O)NC1CC1)C1CC1 ZINC001394448732 993716555 /nfs/dbraw/zinc/71/65/55/993716555.db2.gz BZLIGYPBMZVKSU-ZFWWWQNUSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](CNCC(=O)NC1CC1)C1CC1 ZINC001394448732 993716566 /nfs/dbraw/zinc/71/65/66/993716566.db2.gz BZLIGYPBMZVKSU-ZFWWWQNUSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001394527648 993798522 /nfs/dbraw/zinc/79/85/22/993798522.db2.gz RDCHIONCKSSJAV-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)NCc1ccc2c(c1)CCC2 ZINC001394618161 993917599 /nfs/dbraw/zinc/91/75/99/993917599.db2.gz IWQJNYQCXVEGQM-KRWDZBQOSA-N 1 3 319.449 0.694 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]CC1CC2(CCC2)C1 ZINC001394644920 993957145 /nfs/dbraw/zinc/95/71/45/993957145.db2.gz KVFPBCJKMXSZKM-AWEZNQCLSA-N 1 3 320.437 0.908 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001394664679 993990504 /nfs/dbraw/zinc/99/05/04/993990504.db2.gz BXWQHIWOZBESJD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001400056226 994112828 /nfs/dbraw/zinc/11/28/28/994112828.db2.gz PVEFEKLAIPDPHQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001400056226 994112831 /nfs/dbraw/zinc/11/28/31/994112831.db2.gz PVEFEKLAIPDPHQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](F)CNC[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001394762359 994116973 /nfs/dbraw/zinc/11/69/73/994116973.db2.gz YUEJKJKOQBLOOO-LSDHHAIUSA-N 1 3 317.449 0.875 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001400060564 994117669 /nfs/dbraw/zinc/11/76/69/994117669.db2.gz APCWOTBBOMEJNV-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001400205189 994277338 /nfs/dbraw/zinc/27/73/38/994277338.db2.gz VDFBVRDEZACYIR-HZPDHXFCSA-N 1 3 310.486 0.813 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001400205189 994277351 /nfs/dbraw/zinc/27/73/51/994277351.db2.gz VDFBVRDEZACYIR-HZPDHXFCSA-N 1 3 310.486 0.813 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001400488980 994578576 /nfs/dbraw/zinc/57/85/76/994578576.db2.gz XZWPEEBWXNGUBJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001400488980 994578588 /nfs/dbraw/zinc/57/85/88/994578588.db2.gz XZWPEEBWXNGUBJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001400915131 995060953 /nfs/dbraw/zinc/06/09/53/995060953.db2.gz TZMWNYPSRYOOQT-ZFWWWQNUSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001400915131 995060962 /nfs/dbraw/zinc/06/09/62/995060962.db2.gz TZMWNYPSRYOOQT-ZFWWWQNUSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001401086341 995161166 /nfs/dbraw/zinc/16/11/66/995161166.db2.gz NLXUXGFIOZKMEM-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001401086341 995161171 /nfs/dbraw/zinc/16/11/71/995161171.db2.gz NLXUXGFIOZKMEM-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001401087611 995163738 /nfs/dbraw/zinc/16/37/38/995163738.db2.gz QSACZOKDVRDEOG-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001397117608 995803616 /nfs/dbraw/zinc/80/36/16/995803616.db2.gz ABNPSRCNJTWHRR-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001397466388 996015689 /nfs/dbraw/zinc/01/56/89/996015689.db2.gz JLBOHYSYRKVZEL-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001397724220 996144671 /nfs/dbraw/zinc/14/46/71/996144671.db2.gz LNAUWTJNKXCELZ-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001397982553 996292164 /nfs/dbraw/zinc/29/21/64/996292164.db2.gz ARIAHVIERKIEHL-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CC)CC(=O)NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001398100347 996364939 /nfs/dbraw/zinc/36/49/39/996364939.db2.gz SSFLVWXGVBVIJU-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001398100347 996364943 /nfs/dbraw/zinc/36/49/43/996364943.db2.gz SSFLVWXGVBVIJU-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H](CN(C)C(=O)CCCC[NH+](C)C)N[C@H]1CCCNC1=O ZINC001507152020 1016036163 /nfs/dbraw/zinc/03/61/63/1016036163.db2.gz LEIPMOZJBUIVIC-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001398457262 996526849 /nfs/dbraw/zinc/52/68/49/996526849.db2.gz NMRJYJKSDGDECK-HOTGVXAUSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001398457262 996526854 /nfs/dbraw/zinc/52/68/54/996526854.db2.gz NMRJYJKSDGDECK-HOTGVXAUSA-N 1 3 317.437 0.721 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CCn2cccn2)C2CC2)C1 ZINC001398458989 996527483 /nfs/dbraw/zinc/52/74/83/996527483.db2.gz SPWFBAUXJUQFQA-ZBFHGGJFSA-N 1 3 319.453 0.709 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCn2cccn2)C2CC2)C1 ZINC001398458220 996527972 /nfs/dbraw/zinc/52/79/72/996527972.db2.gz SPWFBAUXJUQFQA-GOEBONIOSA-N 1 3 319.453 0.709 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001398504545 996543921 /nfs/dbraw/zinc/54/39/21/996543921.db2.gz NGVJOUJBSKKWCF-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001398527224 996554481 /nfs/dbraw/zinc/55/44/81/996554481.db2.gz LWROEVPRMKOKTO-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001398541538 996561184 /nfs/dbraw/zinc/56/11/84/996561184.db2.gz ZEKIEUUUIDDHFK-KBUPBQIOSA-N 1 3 324.469 0.573 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001502735691 1016045465 /nfs/dbraw/zinc/04/54/65/1016045465.db2.gz ZUVWNMNAMJFXBP-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001398570902 996579475 /nfs/dbraw/zinc/57/94/75/996579475.db2.gz VLCHWGNXZYWBJR-JOCQHMNTSA-N 1 3 308.430 0.284 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001398570902 996579477 /nfs/dbraw/zinc/57/94/77/996579477.db2.gz VLCHWGNXZYWBJR-JOCQHMNTSA-N 1 3 308.430 0.284 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001398674818 996633715 /nfs/dbraw/zinc/63/37/15/996633715.db2.gz CLMHVPPNSQLTKU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C2CC2)[C@@H](C)C1 ZINC001502750873 1016052876 /nfs/dbraw/zinc/05/28/76/1016052876.db2.gz KXCULJXKLYBAJQ-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C2CC2)[C@@H](C)C1 ZINC001502750873 1016052886 /nfs/dbraw/zinc/05/28/86/1016052886.db2.gz KXCULJXKLYBAJQ-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001398766983 996678783 /nfs/dbraw/zinc/67/87/83/996678783.db2.gz XDMQUQMAQUJVMD-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001398770278 996681343 /nfs/dbraw/zinc/68/13/43/996681343.db2.gz RZRBONBMEFWNJN-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)CCC[NH+](C)C)C2)C1 ZINC001398812522 996698212 /nfs/dbraw/zinc/69/82/12/996698212.db2.gz MOSQSRAECQKMSV-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N1CCC1 ZINC001399042769 996879969 /nfs/dbraw/zinc/87/99/69/996879969.db2.gz XGMUUKDKGIZJJB-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001399100696 996960265 /nfs/dbraw/zinc/96/02/65/996960265.db2.gz NYLBWFOPILEJOY-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001399100696 996960270 /nfs/dbraw/zinc/96/02/70/996960270.db2.gz NYLBWFOPILEJOY-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO COc1cc(CN[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)ccn1 ZINC001399102310 996966740 /nfs/dbraw/zinc/96/67/40/996966740.db2.gz GVKGOUAJZJPPCQ-ZDUSSCGKSA-N 1 3 318.421 0.780 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001404328112 996987471 /nfs/dbraw/zinc/98/74/71/996987471.db2.gz UTUINJGJEWPVFT-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001399266495 997139104 /nfs/dbraw/zinc/13/91/04/997139104.db2.gz LDMVBSGFTJTVKX-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001399273522 997144616 /nfs/dbraw/zinc/14/46/16/997144616.db2.gz UMVGHKZWHKGZKF-KGLIPLIRSA-N 1 3 322.457 0.674 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001404510690 997187793 /nfs/dbraw/zinc/18/77/93/997187793.db2.gz FRJTWBWBLCALFW-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001404510690 997187801 /nfs/dbraw/zinc/18/78/01/997187801.db2.gz FRJTWBWBLCALFW-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001399336894 997236040 /nfs/dbraw/zinc/23/60/40/997236040.db2.gz KNXCZDPUDPWEBZ-OLZOCXBDSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001399407078 997323727 /nfs/dbraw/zinc/32/37/27/997323727.db2.gz ZEAJFWGKALHUEO-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001405147631 997859980 /nfs/dbraw/zinc/85/99/80/997859980.db2.gz NNASKAQVCJTRJD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)NC1CC1 ZINC001405282465 998057829 /nfs/dbraw/zinc/05/78/29/998057829.db2.gz DBILLYFFGUPCMF-TZMCWYRMSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cnn(C)c1 ZINC001405404453 998196985 /nfs/dbraw/zinc/19/69/85/998196985.db2.gz WHPRGJBESRTLDK-OAHLLOKOSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@@H]([NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001405499364 998278104 /nfs/dbraw/zinc/27/81/04/998278104.db2.gz HUNCBRFAISUYDQ-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001405604129 998383190 /nfs/dbraw/zinc/38/31/90/998383190.db2.gz FKVDKRVFTICXMT-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CC(N)=O)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001505401281 1016212100 /nfs/dbraw/zinc/21/21/00/1016212100.db2.gz XEVIUKODTPVDAY-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@H+](CC(N)=O)CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001505401281 1016212108 /nfs/dbraw/zinc/21/21/08/1016212108.db2.gz XEVIUKODTPVDAY-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cnn(C)c2)[C@@H]1C ZINC001507293399 1016223765 /nfs/dbraw/zinc/22/37/65/1016223765.db2.gz MUUOQZHECKDAQS-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cnn(C)c2)[C@@H]1C ZINC001507293399 1016223768 /nfs/dbraw/zinc/22/37/68/1016223768.db2.gz MUUOQZHECKDAQS-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001505426846 1016231787 /nfs/dbraw/zinc/23/17/87/1016231787.db2.gz BVGTYIRPKXHUKQ-CFVMTHIKSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001507428919 1016320976 /nfs/dbraw/zinc/32/09/76/1016320976.db2.gz XBJJCOODVZDEBR-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001507444181 1016330393 /nfs/dbraw/zinc/33/03/93/1016330393.db2.gz TXJLQPNRWBQTKR-OLZOCXBDSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507443895 1016332725 /nfs/dbraw/zinc/33/27/25/1016332725.db2.gz RHZHSISJMDVHLO-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccnn1C ZINC001401115765 1000204549 /nfs/dbraw/zinc/20/45/49/1000204549.db2.gz QVTDOFPLKQUHOO-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cnns1 ZINC001418428090 1000212098 /nfs/dbraw/zinc/21/20/98/1000212098.db2.gz AFXGRRAQZWAKNC-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cnns1 ZINC001418428090 1000212102 /nfs/dbraw/zinc/21/21/02/1000212102.db2.gz AFXGRRAQZWAKNC-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001418439660 1000221394 /nfs/dbraw/zinc/22/13/94/1000221394.db2.gz DOZVKAGIKGGSBH-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001401333454 1000357084 /nfs/dbraw/zinc/35/70/84/1000357084.db2.gz NRPGBIMBZZMYNK-CQSZACIVSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CCN(C)C(=O)C12CC[NH+](CC1)C2)CCn1cccn1 ZINC001401427306 1000419554 /nfs/dbraw/zinc/41/95/54/1000419554.db2.gz FZKZBDHGGGSUCK-UHFFFAOYSA-N 1 3 305.426 0.369 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@H](C)C1 ZINC001401550826 1000487091 /nfs/dbraw/zinc/48/70/91/1000487091.db2.gz FLWVLGBMZWCIIO-BBRMVZONSA-N 1 3 320.437 0.299 20 0 DCADHO C[C@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001401571165 1000506390 /nfs/dbraw/zinc/50/63/90/1000506390.db2.gz COIPBGCHRRWSEZ-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)[C@H](C)NCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001418825057 1000553350 /nfs/dbraw/zinc/55/33/50/1000553350.db2.gz HGPLOGJASNLFRS-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001401618683 1000556705 /nfs/dbraw/zinc/55/67/05/1000556705.db2.gz MRWAFWYUTWWKFB-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2cnn(C)c2)CC[N@H+]1C ZINC001401618683 1000556715 /nfs/dbraw/zinc/55/67/15/1000556715.db2.gz MRWAFWYUTWWKFB-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001401696061 1000634578 /nfs/dbraw/zinc/63/45/78/1000634578.db2.gz RFYRQYLDLGKEAL-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001401696061 1000634583 /nfs/dbraw/zinc/63/45/83/1000634583.db2.gz RFYRQYLDLGKEAL-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001401845556 1000781663 /nfs/dbraw/zinc/78/16/63/1000781663.db2.gz SYJPZOVPAWTRON-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001419193065 1000868784 /nfs/dbraw/zinc/86/87/84/1000868784.db2.gz DPJDMOUNMWWRCH-ZFWWWQNUSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001401989719 1000931768 /nfs/dbraw/zinc/93/17/68/1000931768.db2.gz RICJEJACEWECJE-INIZCTEOSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001401989719 1000931770 /nfs/dbraw/zinc/93/17/70/1000931770.db2.gz RICJEJACEWECJE-INIZCTEOSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H]1C[C@H](NCc2cnns2)CCN1C(=O)CC[NH+](C)C ZINC001402051607 1000975199 /nfs/dbraw/zinc/97/51/99/1000975199.db2.gz OSTPOXOWGLEBQR-VXGBXAGGSA-N 1 3 311.455 0.959 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001402054201 1000977969 /nfs/dbraw/zinc/97/79/69/1000977969.db2.gz DUTUUGCNUGMCIE-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402065303 1000986731 /nfs/dbraw/zinc/98/67/31/1000986731.db2.gz YORACHZOODEQHW-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402065303 1000986739 /nfs/dbraw/zinc/98/67/39/1000986739.db2.gz YORACHZOODEQHW-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001419367362 1001003857 /nfs/dbraw/zinc/00/38/57/1001003857.db2.gz RHZNNJLJDCXVTC-QLFBSQMISA-N 1 3 324.469 0.526 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001419412736 1001031662 /nfs/dbraw/zinc/03/16/62/1001031662.db2.gz JXYXXCCSZIUYDT-JOCQHMNTSA-N 1 3 305.426 0.641 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001419420521 1001035524 /nfs/dbraw/zinc/03/55/24/1001035524.db2.gz YTUNMEGCZUTRHA-XDQVBPFNSA-N 1 3 310.442 0.088 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001419426140 1001040386 /nfs/dbraw/zinc/04/03/86/1001040386.db2.gz MLUBXCZEUHOGJW-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001419426140 1001040390 /nfs/dbraw/zinc/04/03/90/1001040390.db2.gz MLUBXCZEUHOGJW-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001402155861 1001071387 /nfs/dbraw/zinc/07/13/87/1001071387.db2.gz IJFUGKZGDFASES-RHSMWYFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1)N(C)C ZINC001419496319 1001096973 /nfs/dbraw/zinc/09/69/73/1001096973.db2.gz DWOZEPOKXRZKDV-RZFFKMDDSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419544547 1001129170 /nfs/dbraw/zinc/12/91/70/1001129170.db2.gz RCAMHVVZLYXNMH-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419544547 1001129175 /nfs/dbraw/zinc/12/91/75/1001129175.db2.gz RCAMHVVZLYXNMH-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO Cc1ncc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001419744211 1001272648 /nfs/dbraw/zinc/27/26/48/1001272648.db2.gz KKHLVOFGECRIRG-SWLSCSKDSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001419744211 1001272654 /nfs/dbraw/zinc/27/26/54/1001272654.db2.gz KKHLVOFGECRIRG-SWLSCSKDSA-N 1 3 305.426 0.673 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)C2CC2)C1)N(C)C ZINC001402447582 1001318857 /nfs/dbraw/zinc/31/88/57/1001318857.db2.gz MKIZYPZCDGCAIW-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001402492415 1001357128 /nfs/dbraw/zinc/35/71/28/1001357128.db2.gz KGLUAWSQYOXPPA-TUVASFSCSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001402515304 1001375583 /nfs/dbraw/zinc/37/55/83/1001375583.db2.gz QMPOAVCNIAMQLS-RBSFLKMASA-N 1 3 307.442 0.806 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001419878723 1001378682 /nfs/dbraw/zinc/37/86/82/1001378682.db2.gz DWOFCHUIYSYEAI-KBPBESRZSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001402525708 1001384034 /nfs/dbraw/zinc/38/40/34/1001384034.db2.gz ZEKIEUUUIDDHFK-AJNGGQMLSA-N 1 3 324.469 0.573 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001402525378 1001384612 /nfs/dbraw/zinc/38/46/12/1001384612.db2.gz IFXYMQNYWPDLFM-TZMCWYRMSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001402627427 1001448835 /nfs/dbraw/zinc/44/88/35/1001448835.db2.gz CLFOUHMWUVOBKF-MCIONIFRSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001402627427 1001448836 /nfs/dbraw/zinc/44/88/36/1001448836.db2.gz CLFOUHMWUVOBKF-MCIONIFRSA-N 1 3 312.458 0.371 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001403040182 1001644774 /nfs/dbraw/zinc/64/47/74/1001644774.db2.gz NKJXEWONGLGYSM-QWHCGFSZSA-N 1 3 322.457 0.972 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)CCn2cncn2)CC[N@@H+]1C ZINC001403126600 1001686422 /nfs/dbraw/zinc/68/64/22/1001686422.db2.gz OEOFGJARUIRLGB-QLFBSQMISA-N 1 3 322.457 0.445 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)CCn2cncn2)CC[N@H+]1C ZINC001403126600 1001686424 /nfs/dbraw/zinc/68/64/24/1001686424.db2.gz OEOFGJARUIRLGB-QLFBSQMISA-N 1 3 322.457 0.445 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419996637 1001753702 /nfs/dbraw/zinc/75/37/02/1001753702.db2.gz QLFGUXHWVQALDZ-CHWSQXEVSA-N 1 3 321.425 0.305 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCCN1C)[NH2+]CC(N)=O ZINC001403260135 1001766822 /nfs/dbraw/zinc/76/68/22/1001766822.db2.gz OAAAEQCLWUXTIM-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001420086983 1001829751 /nfs/dbraw/zinc/82/97/51/1001829751.db2.gz PRLITUWLLAAPFN-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001424676586 1001907325 /nfs/dbraw/zinc/90/73/25/1001907325.db2.gz SKVYGLWTERRTEJ-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001424676586 1001907331 /nfs/dbraw/zinc/90/73/31/1001907331.db2.gz SKVYGLWTERRTEJ-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001403460977 1001988101 /nfs/dbraw/zinc/98/81/01/1001988101.db2.gz QZIDSRCVCAPWTR-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)[C@@H](CCNC(=O)CN1CCCC1)[NH2+]Cc1cn(C)nn1 ZINC001403497775 1002035106 /nfs/dbraw/zinc/03/51/06/1002035106.db2.gz YMPUDUGEUQPCCA-OAHLLOKOSA-N 1 3 322.457 0.531 20 0 DCADHO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001424880889 1002117543 /nfs/dbraw/zinc/11/75/43/1002117543.db2.gz DDCXWBMKROFOKF-CQSZACIVSA-N 1 3 314.474 0.393 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001403551320 1002126791 /nfs/dbraw/zinc/12/67/91/1002126791.db2.gz JKDIKSTUXWHZFB-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCc1ccnn1C ZINC001424950306 1002180443 /nfs/dbraw/zinc/18/04/43/1002180443.db2.gz SXXJVKKWRLABPP-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCc1ccnn1C ZINC001424950306 1002180448 /nfs/dbraw/zinc/18/04/48/1002180448.db2.gz SXXJVKKWRLABPP-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001403606558 1002201023 /nfs/dbraw/zinc/20/10/23/1002201023.db2.gz NMJLGIHIBUNXEN-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001420341808 1002251719 /nfs/dbraw/zinc/25/17/19/1002251719.db2.gz VXUHGTOSLNVAJM-VNHYZAJKSA-N 1 3 322.457 0.446 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCn1cccn1 ZINC001420387673 1002330047 /nfs/dbraw/zinc/33/00/47/1002330047.db2.gz PMSOOOHYLFMSCI-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCn1cccn1 ZINC001420387673 1002330062 /nfs/dbraw/zinc/33/00/62/1002330062.db2.gz PMSOOOHYLFMSCI-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001403685524 1002347891 /nfs/dbraw/zinc/34/78/91/1002347891.db2.gz LPXCPRDQRKENCW-AWEZNQCLSA-N 1 3 308.426 0.274 20 0 DCADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001403685524 1002347902 /nfs/dbraw/zinc/34/79/02/1002347902.db2.gz LPXCPRDQRKENCW-AWEZNQCLSA-N 1 3 308.426 0.274 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC[N@@H+]1C ZINC001508002700 1016610684 /nfs/dbraw/zinc/61/06/84/1016610684.db2.gz CQCNAOMKKAFKTL-AVGNSLFASA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC[N@H+]1C ZINC001508002700 1016610692 /nfs/dbraw/zinc/61/06/92/1016610692.db2.gz CQCNAOMKKAFKTL-AVGNSLFASA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001420431994 1002410519 /nfs/dbraw/zinc/41/05/19/1002410519.db2.gz FKWVQOKRIXUKKC-SWLSCSKDSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001425261311 1002490455 /nfs/dbraw/zinc/49/04/55/1002490455.db2.gz VOGNPCYQGBJPER-OUCADQQQSA-N 1 3 321.425 0.256 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001425261311 1002490461 /nfs/dbraw/zinc/49/04/61/1002490461.db2.gz VOGNPCYQGBJPER-OUCADQQQSA-N 1 3 321.425 0.256 20 0 DCADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CCn2cccn2)C1)C1CCC1 ZINC001420534907 1002573289 /nfs/dbraw/zinc/57/32/89/1002573289.db2.gz WFHHIRWJXAAQFI-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1)C1CCC1 ZINC001420534907 1002573301 /nfs/dbraw/zinc/57/33/01/1002573301.db2.gz WFHHIRWJXAAQFI-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C(C)(C)C ZINC001403955063 1002794247 /nfs/dbraw/zinc/79/42/47/1002794247.db2.gz IANIEPIFXWICIY-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C(C)(C)C ZINC001403955063 1002794260 /nfs/dbraw/zinc/79/42/60/1002794260.db2.gz IANIEPIFXWICIY-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC)C1 ZINC001420741771 1002903437 /nfs/dbraw/zinc/90/34/37/1002903437.db2.gz RBMWHUXZPCUPSK-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC)C1 ZINC001420741771 1002903439 /nfs/dbraw/zinc/90/34/39/1002903439.db2.gz RBMWHUXZPCUPSK-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001425638924 1002918767 /nfs/dbraw/zinc/91/87/67/1002918767.db2.gz LIPKNBRYLVPWDT-GXTWGEPZSA-N 1 3 321.425 0.400 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001420897580 1003104911 /nfs/dbraw/zinc/10/49/11/1003104911.db2.gz UXXSBPXOXCWWJV-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001420897580 1003104918 /nfs/dbraw/zinc/10/49/18/1003104918.db2.gz UXXSBPXOXCWWJV-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CCCC1)N(C)C ZINC001405865642 1003153117 /nfs/dbraw/zinc/15/31/17/1003153117.db2.gz NYPDBOFWFGODHC-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001420945718 1003162145 /nfs/dbraw/zinc/16/21/45/1003162145.db2.gz FNNYGCJKZXSJFQ-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001420945718 1003162150 /nfs/dbraw/zinc/16/21/50/1003162150.db2.gz FNNYGCJKZXSJFQ-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CCc1cccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001425839759 1003170293 /nfs/dbraw/zinc/17/02/93/1003170293.db2.gz NINWZURYIAZPKW-IAGOWNOFSA-N 1 3 319.449 0.767 20 0 DCADHO CCc1cccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001425839759 1003170302 /nfs/dbraw/zinc/17/03/02/1003170302.db2.gz NINWZURYIAZPKW-IAGOWNOFSA-N 1 3 319.449 0.767 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001425872396 1003203786 /nfs/dbraw/zinc/20/37/86/1003203786.db2.gz DZXALSZUPVBUPX-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001405955532 1003220026 /nfs/dbraw/zinc/22/00/26/1003220026.db2.gz AIXQNMSJDARWCR-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C[C@H]1C ZINC001425886283 1003222618 /nfs/dbraw/zinc/22/26/18/1003222618.db2.gz IZOGNTMHMBUTGI-CABCVRRESA-N 1 3 307.442 0.802 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H](N[C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001425968760 1003292618 /nfs/dbraw/zinc/29/26/18/1003292618.db2.gz SZMKBABZMNWAOE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001421196283 1003429337 /nfs/dbraw/zinc/42/93/37/1003429337.db2.gz ZKGVMUYNFKSRAQ-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001421196283 1003429341 /nfs/dbraw/zinc/42/93/41/1003429341.db2.gz ZKGVMUYNFKSRAQ-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C)CC(C)(C)C ZINC001426132583 1003457558 /nfs/dbraw/zinc/45/75/58/1003457558.db2.gz AQINEBJZLITZQA-LBPRGKRZSA-N 1 3 314.474 0.570 20 0 DCADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C/C=C\Cl)C1 ZINC001421334987 1003553992 /nfs/dbraw/zinc/55/39/92/1003553992.db2.gz CCNQELROEWJQHU-GUQLZWLHSA-N 1 3 301.818 0.386 20 0 DCADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C/C=C\Cl)C1 ZINC001421334987 1003553996 /nfs/dbraw/zinc/55/39/96/1003553996.db2.gz CCNQELROEWJQHU-GUQLZWLHSA-N 1 3 301.818 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC001406291156 1003573921 /nfs/dbraw/zinc/57/39/21/1003573921.db2.gz ADGJIAQWVXNLIL-GFCCVEGCSA-N 1 3 307.385 0.439 20 0 DCADHO Cc1cccc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C)c1 ZINC001406298086 1003581404 /nfs/dbraw/zinc/58/14/04/1003581404.db2.gz GRDUHYDJDUDYDO-MRXNPFEDSA-N 1 3 307.438 0.902 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001406387314 1003669189 /nfs/dbraw/zinc/66/91/89/1003669189.db2.gz DIUORFOQTHIPTG-MNOVXSKESA-N 1 3 308.430 0.610 20 0 DCADHO COc1coc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001406429541 1003708772 /nfs/dbraw/zinc/70/87/72/1003708772.db2.gz IWEJLZFNMXOHID-VXGBXAGGSA-N 1 3 323.393 0.194 20 0 DCADHO COc1coc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001406429541 1003708779 /nfs/dbraw/zinc/70/87/79/1003708779.db2.gz IWEJLZFNMXOHID-VXGBXAGGSA-N 1 3 323.393 0.194 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@@H]21 ZINC001428329390 1003869087 /nfs/dbraw/zinc/86/90/87/1003869087.db2.gz KCTXUONPMNKJNR-KBMXLJTQSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@@H]21 ZINC001428329390 1003869097 /nfs/dbraw/zinc/86/90/97/1003869097.db2.gz KCTXUONPMNKJNR-KBMXLJTQSA-N 1 3 322.453 0.585 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406781765 1004088850 /nfs/dbraw/zinc/08/88/50/1004088850.db2.gz GLZHCSIYVCJECT-HIFRSBDPSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406781765 1004088860 /nfs/dbraw/zinc/08/88/60/1004088860.db2.gz GLZHCSIYVCJECT-HIFRSBDPSA-N 1 3 305.426 0.356 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001428743759 1004143814 /nfs/dbraw/zinc/14/38/14/1004143814.db2.gz QQXKGNCXTWXHFE-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001428743759 1004143817 /nfs/dbraw/zinc/14/38/17/1004143817.db2.gz QQXKGNCXTWXHFE-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1 ZINC001406928545 1004229232 /nfs/dbraw/zinc/22/92/32/1004229232.db2.gz ZCKCHLXJQVJVKR-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1 ZINC001406928545 1004229241 /nfs/dbraw/zinc/22/92/41/1004229241.db2.gz ZCKCHLXJQVJVKR-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1)C(N)=O ZINC001407001623 1004298243 /nfs/dbraw/zinc/29/82/43/1004298243.db2.gz DCSXTIJYAWOBJJ-GFCCVEGCSA-N 1 3 318.421 0.474 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001407110538 1004391322 /nfs/dbraw/zinc/39/13/22/1004391322.db2.gz UDUBWXPEKPBHMO-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001407110506 1004391798 /nfs/dbraw/zinc/39/17/98/1004391798.db2.gz QPVWFWPTLPKCJY-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)CC1 ZINC001407187184 1004457078 /nfs/dbraw/zinc/45/70/78/1004457078.db2.gz WUBWUIAHHKLVAI-INIZCTEOSA-N 1 3 319.453 0.806 20 0 DCADHO Cn1ccnc1CNC[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001407225563 1004482754 /nfs/dbraw/zinc/48/27/54/1004482754.db2.gz FGZIMNYBFVEOKA-MRXNPFEDSA-N 1 3 307.442 0.700 20 0 DCADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001407230007 1004486085 /nfs/dbraw/zinc/48/60/85/1004486085.db2.gz LNOBMAAXLUJCJB-MRXNPFEDSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001427788003 1004608623 /nfs/dbraw/zinc/60/86/23/1004608623.db2.gz GDSNJNGLLZJWSD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001407512562 1004701180 /nfs/dbraw/zinc/70/11/80/1004701180.db2.gz SWTQSQIPFOPMTP-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001407522460 1004709306 /nfs/dbraw/zinc/70/93/06/1004709306.db2.gz CFQNJYVBSSTRLD-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)[C@@H](C)C1 ZINC001408082482 1005027339 /nfs/dbraw/zinc/02/73/39/1005027339.db2.gz LBJNIWFHJYWFAO-HOCLYGCPSA-N 1 3 321.469 0.739 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(=O)NC2CC2)CC1 ZINC001408091906 1005034541 /nfs/dbraw/zinc/03/45/41/1005034541.db2.gz SIUGBWNVEKONHX-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001408103544 1005042115 /nfs/dbraw/zinc/04/21/15/1005042115.db2.gz QLNZYGYCESYJPR-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001408178224 1005093783 /nfs/dbraw/zinc/09/37/83/1005093783.db2.gz LIZXLKKAJQQFTJ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001408178224 1005093786 /nfs/dbraw/zinc/09/37/86/1005093786.db2.gz LIZXLKKAJQQFTJ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001414780600 1005401587 /nfs/dbraw/zinc/40/15/87/1005401587.db2.gz FTMUJPMAUWEAKY-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001414780600 1005401589 /nfs/dbraw/zinc/40/15/89/1005401589.db2.gz FTMUJPMAUWEAKY-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)CN(C)C1CCC1 ZINC001415525913 1005554897 /nfs/dbraw/zinc/55/48/97/1005554897.db2.gz YIUNLLUACKOGFY-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)CN(C)C1CCC1 ZINC001415525913 1005554898 /nfs/dbraw/zinc/55/48/98/1005554898.db2.gz YIUNLLUACKOGFY-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001417037247 1005773920 /nfs/dbraw/zinc/77/39/20/1005773920.db2.gz ACURZBABGGQKGZ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001417037247 1005773923 /nfs/dbraw/zinc/77/39/23/1005773923.db2.gz ACURZBABGGQKGZ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001417763553 1005886281 /nfs/dbraw/zinc/88/62/81/1005886281.db2.gz HNXXMFXZZWJUQZ-OKILXGFUSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001418017259 1005957586 /nfs/dbraw/zinc/95/75/86/1005957586.db2.gz AYWYMHDDNRWZLK-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001418017259 1005957588 /nfs/dbraw/zinc/95/75/88/1005957588.db2.gz AYWYMHDDNRWZLK-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001438744673 1006091806 /nfs/dbraw/zinc/09/18/06/1006091806.db2.gz VXGNQFTXVCFPRP-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO COc1cc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)on1 ZINC001438782158 1006115062 /nfs/dbraw/zinc/11/50/62/1006115062.db2.gz YXJDTZXXEZQWBG-GXTWGEPZSA-N 1 3 324.425 0.962 20 0 DCADHO NC(=O)CNC[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001418164103 1006118823 /nfs/dbraw/zinc/11/88/23/1006118823.db2.gz DUSXREPGYUMGTO-CQSZACIVSA-N 1 3 322.453 0.318 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001418166467 1006123135 /nfs/dbraw/zinc/12/31/35/1006123135.db2.gz FTQTUPDQMLJEEP-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001436391663 1006158850 /nfs/dbraw/zinc/15/88/50/1006158850.db2.gz SIYPQFVVDYJNEM-BZUAXINKSA-N 1 3 319.453 0.709 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001436456565 1006195280 /nfs/dbraw/zinc/19/52/80/1006195280.db2.gz FDQOVDBMOYLACP-ZNMIVQPWSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1)C(N)=O ZINC001418272940 1006285102 /nfs/dbraw/zinc/28/51/02/1006285102.db2.gz DDIHTOBTPWZXLW-QWHCGFSZSA-N 1 3 320.437 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC(C)(C)C ZINC001418303335 1006336245 /nfs/dbraw/zinc/33/62/45/1006336245.db2.gz NKFUEVQDVRGKFA-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC(C)(C)C ZINC001418303335 1006336258 /nfs/dbraw/zinc/33/62/58/1006336258.db2.gz NKFUEVQDVRGKFA-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)C1CCC1 ZINC001418329675 1006386239 /nfs/dbraw/zinc/38/62/39/1006386239.db2.gz NJLLVRRRCDCTHS-ZDUSSCGKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001418335634 1006395641 /nfs/dbraw/zinc/39/56/41/1006395641.db2.gz NISCBJJCYVXMIV-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2ccccc2F)C1 ZINC001439045896 1006404838 /nfs/dbraw/zinc/40/48/38/1006404838.db2.gz IIBJZPCEZTUXQD-HIFRSBDPSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2ccccc2F)C1 ZINC001439045896 1006404848 /nfs/dbraw/zinc/40/48/48/1006404848.db2.gz IIBJZPCEZTUXQD-HIFRSBDPSA-N 1 3 323.412 0.734 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)N1CCCC1 ZINC001418350055 1006414885 /nfs/dbraw/zinc/41/48/85/1006414885.db2.gz IPKTUFQFCTXLFE-ZDUSSCGKSA-N 1 3 319.409 0.013 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001436883055 1006429862 /nfs/dbraw/zinc/42/98/62/1006429862.db2.gz KWMPAYIKGWCIHZ-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001436950748 1006476414 /nfs/dbraw/zinc/47/64/14/1006476414.db2.gz GBEPQELLCDYCRD-OKILXGFUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001436957534 1006482290 /nfs/dbraw/zinc/48/22/90/1006482290.db2.gz XUTFCLLHCQMLRV-OKILXGFUSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001439150903 1006517318 /nfs/dbraw/zinc/51/73/18/1006517318.db2.gz AYRXRSPGLXULFB-VXGBXAGGSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccnn1C ZINC001437129248 1006626449 /nfs/dbraw/zinc/62/64/49/1006626449.db2.gz GMDUHEUUTVTKIU-HOCLYGCPSA-N 1 3 321.469 0.930 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N[C@H](C)C1CC1 ZINC001437202349 1006701821 /nfs/dbraw/zinc/70/18/21/1006701821.db2.gz PMJXIPODZNGJTK-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001437209378 1006711944 /nfs/dbraw/zinc/71/19/44/1006711944.db2.gz QAXMTUVBYXWGMO-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCCN(C)C1=O ZINC001437260424 1006778222 /nfs/dbraw/zinc/77/82/22/1006778222.db2.gz IXKOYYPJRWTDIC-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001437311458 1006826927 /nfs/dbraw/zinc/82/69/27/1006826927.db2.gz MJHNDRPUZLOZCZ-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001439451504 1006869434 /nfs/dbraw/zinc/86/94/34/1006869434.db2.gz BHRZQEWKJPTOPM-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001437377190 1006903128 /nfs/dbraw/zinc/90/31/28/1006903128.db2.gz BLRLUVXCMWTJTP-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001439482095 1006911508 /nfs/dbraw/zinc/91/15/08/1006911508.db2.gz DGTUPZHZQHTJDK-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439482095 1006911514 /nfs/dbraw/zinc/91/15/14/1006911514.db2.gz DGTUPZHZQHTJDK-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCc1cnn(C)c1 ZINC001437638653 1007200828 /nfs/dbraw/zinc/20/08/28/1007200828.db2.gz LMYQJAYDIAXQSW-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCc1cnn(C)c1 ZINC001437638653 1007200843 /nfs/dbraw/zinc/20/08/43/1007200843.db2.gz LMYQJAYDIAXQSW-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCO)C1 ZINC001437895303 1007484354 /nfs/dbraw/zinc/48/43/54/1007484354.db2.gz QMPXBYIYUWQIMD-JKSUJKDBSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001440139259 1007516177 /nfs/dbraw/zinc/51/61/77/1007516177.db2.gz TVHMAEOABCQHMJ-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001437953156 1007533884 /nfs/dbraw/zinc/53/38/84/1007533884.db2.gz QFFCCTZDZZDCBR-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001437953156 1007533896 /nfs/dbraw/zinc/53/38/96/1007533896.db2.gz QFFCCTZDZZDCBR-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1c(C)nnn1CC ZINC001438367085 1007860844 /nfs/dbraw/zinc/86/08/44/1007860844.db2.gz MFTYNJDIOOMCMS-KGLIPLIRSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1c(C)nnn1CC ZINC001438367085 1007860859 /nfs/dbraw/zinc/86/08/59/1007860859.db2.gz MFTYNJDIOOMCMS-KGLIPLIRSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001438370550 1007867241 /nfs/dbraw/zinc/86/72/41/1007867241.db2.gz PZXMPKUIRRPBQH-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001438370550 1007867251 /nfs/dbraw/zinc/86/72/51/1007867251.db2.gz PZXMPKUIRRPBQH-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H]2CCN(C)C2=O)CCCC1)N(C)C ZINC001438404027 1007883466 /nfs/dbraw/zinc/88/34/66/1007883466.db2.gz RTIMSPFVBNRTFP-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@@](C)(C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001438426632 1007901394 /nfs/dbraw/zinc/90/13/94/1007901394.db2.gz NKDXXUDEEZXRAC-YOEHRIQHSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001440606295 1007915943 /nfs/dbraw/zinc/91/59/43/1007915943.db2.gz IPPUOQYCDVURLL-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]([NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001440764658 1008004438 /nfs/dbraw/zinc/00/44/38/1008004438.db2.gz LPOZCOQIZRPAPM-HIFPTAJRSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](NCC(=O)N(C)C1CC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440848745 1008065134 /nfs/dbraw/zinc/06/51/34/1008065134.db2.gz WDBRRFDALXIFIX-OLZOCXBDSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(C)(C)C[NH2+]CC(=O)N1CCC1)C(=O)Cc1c[nH]cn1 ZINC001440880950 1008082930 /nfs/dbraw/zinc/08/29/30/1008082930.db2.gz GXYPPWFEKCMFPG-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001440879214 1008083173 /nfs/dbraw/zinc/08/31/73/1008083173.db2.gz BKOCPLHPIBNIPA-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001441213066 1008273062 /nfs/dbraw/zinc/27/30/62/1008273062.db2.gz YWBBGSMISSPFPG-GJZGRUSLSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001441213066 1008273066 /nfs/dbraw/zinc/27/30/66/1008273066.db2.gz YWBBGSMISSPFPG-GJZGRUSLSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441439169 1008356212 /nfs/dbraw/zinc/35/62/12/1008356212.db2.gz AVDLBIUFXKSNRH-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC001441763340 1008492619 /nfs/dbraw/zinc/49/26/19/1008492619.db2.gz ZFBZSRLTAMDYQY-IYXRBSQSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N(C)C2CC2)CCN1C(=O)CC[NH+](C)C ZINC001441825129 1008522061 /nfs/dbraw/zinc/52/20/61/1008522061.db2.gz OKXSRZDETQEVRM-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001441825078 1008522169 /nfs/dbraw/zinc/52/21/69/1008522169.db2.gz MIWGNQOFHAVAOB-UKRRQHHQSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N(C)C2CC2)CCN1C(=O)CC[NH+](C)C ZINC001441825103 1008523795 /nfs/dbraw/zinc/52/37/95/1008523795.db2.gz OKXSRZDETQEVRM-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001441835235 1008542546 /nfs/dbraw/zinc/54/25/46/1008542546.db2.gz ZCJHWUYNVSTYKT-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001441835235 1008542560 /nfs/dbraw/zinc/54/25/60/1008542560.db2.gz ZCJHWUYNVSTYKT-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](CC)C(N)=O ZINC001421445373 1008600356 /nfs/dbraw/zinc/60/03/56/1008600356.db2.gz YEMKDGMXEZHALB-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CCNC(=O)C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001421511987 1008675816 /nfs/dbraw/zinc/67/58/16/1008675816.db2.gz MAFKFQRSOZLEFE-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001421563845 1008733789 /nfs/dbraw/zinc/73/37/89/1008733789.db2.gz VBQWTFYGZHWFQF-LSDHHAIUSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001421644103 1008862657 /nfs/dbraw/zinc/86/26/57/1008862657.db2.gz UDYITWOSQQJZJB-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001442059324 1008903565 /nfs/dbraw/zinc/90/35/65/1008903565.db2.gz DMEHCEJJTVMDQX-ZDUSSCGKSA-N 1 3 320.437 0.720 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001454272903 1009032838 /nfs/dbraw/zinc/03/28/38/1009032838.db2.gz RNLPPVIAMZRTOB-BARDWOONSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001454272903 1009032854 /nfs/dbraw/zinc/03/28/54/1009032854.db2.gz RNLPPVIAMZRTOB-BARDWOONSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001421909582 1009250685 /nfs/dbraw/zinc/25/06/85/1009250685.db2.gz XAHLTXXZVZJDMT-WFASDCNBSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421937110 1009284762 /nfs/dbraw/zinc/28/47/62/1009284762.db2.gz QVWCNSJMYUXBTO-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)n[nH]1 ZINC001422037522 1009426123 /nfs/dbraw/zinc/42/61/23/1009426123.db2.gz ARPWPWIEAQDENB-YPMHNXCESA-N 1 3 320.441 0.391 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)CCc1cnn(C)c1 ZINC001442516962 1009435586 /nfs/dbraw/zinc/43/55/86/1009435586.db2.gz MXKNZGSTKOOCII-UHFFFAOYSA-N 1 3 307.442 0.352 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1CCc2ncnn21)C(=O)CN1CCCC1 ZINC001422235179 1009689590 /nfs/dbraw/zinc/68/95/90/1009689590.db2.gz JWPKQINUPZSOPQ-AWEZNQCLSA-N 1 3 320.441 0.251 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)CN1CCCC1 ZINC001422235179 1009689593 /nfs/dbraw/zinc/68/95/93/1009689593.db2.gz JWPKQINUPZSOPQ-AWEZNQCLSA-N 1 3 320.441 0.251 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001422276710 1009751787 /nfs/dbraw/zinc/75/17/87/1009751787.db2.gz HYHNYSCVKRPHSN-OPFPJEHXSA-N 1 3 322.453 0.091 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCn3cccn3)C2)CCC1 ZINC001442865960 1009854826 /nfs/dbraw/zinc/85/48/26/1009854826.db2.gz OPZHQUJLVHTJSC-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCn3cccn3)C2)CCC1 ZINC001442865960 1009854844 /nfs/dbraw/zinc/85/48/44/1009854844.db2.gz OPZHQUJLVHTJSC-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001442878751 1009872807 /nfs/dbraw/zinc/87/28/07/1009872807.db2.gz LIOCWIGCBZLWHY-LBPRGKRZSA-N 1 3 323.441 0.566 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001442878751 1009872826 /nfs/dbraw/zinc/87/28/26/1009872826.db2.gz LIOCWIGCBZLWHY-LBPRGKRZSA-N 1 3 323.441 0.566 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001422352112 1009932358 /nfs/dbraw/zinc/93/23/58/1009932358.db2.gz REGJTQWFXBZPTN-HUUCEWRRSA-N 1 3 311.401 0.733 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422355367 1009938338 /nfs/dbraw/zinc/93/83/38/1009938338.db2.gz WQVIIGYIXYJMSB-CHWSQXEVSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001442936359 1009954108 /nfs/dbraw/zinc/95/41/08/1009954108.db2.gz ZYGPGUONSSUDNN-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@@H](CN1CCC(O)(C[NH+]2CCCCC2)CC1)OC ZINC001434510850 1010048001 /nfs/dbraw/zinc/04/80/01/1010048001.db2.gz WARWTESKDMBIIU-OAHLLOKOSA-N 1 3 300.443 0.961 20 0 DCADHO OC[C@]1(CNC2CC[NH+](CC3CC3)CC2)COC[C@@H]2CCCN21 ZINC001434543353 1010069875 /nfs/dbraw/zinc/06/98/75/1010069875.db2.gz WCSAFTUDQYVCPZ-ZWKOTPCHSA-N 1 3 323.481 0.676 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)CC[NH+]1CCCCC1 ZINC001422449509 1010102712 /nfs/dbraw/zinc/10/27/12/1010102712.db2.gz IDKHYJABMWOWGT-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001422450705 1010105045 /nfs/dbraw/zinc/10/50/45/1010105045.db2.gz LSSALCKQCJNGSH-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001422462149 1010120312 /nfs/dbraw/zinc/12/03/12/1010120312.db2.gz QDDXAXJFGYZZLT-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001443244847 1010261709 /nfs/dbraw/zinc/26/17/09/1010261709.db2.gz ORFINTHATISQDW-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001443244847 1010261710 /nfs/dbraw/zinc/26/17/10/1010261710.db2.gz ORFINTHATISQDW-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001443262581 1010276133 /nfs/dbraw/zinc/27/61/33/1010276133.db2.gz CGPXRFIZMRCZLY-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001443262581 1010276139 /nfs/dbraw/zinc/27/61/39/1010276139.db2.gz CGPXRFIZMRCZLY-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCC(=O)NC(C)(C)C ZINC001422585667 1010352198 /nfs/dbraw/zinc/35/21/98/1010352198.db2.gz AEHIDGVTDIXLPW-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC(=O)NC(C)(C)C ZINC001422585667 1010352207 /nfs/dbraw/zinc/35/22/07/1010352207.db2.gz AEHIDGVTDIXLPW-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001443347261 1010355341 /nfs/dbraw/zinc/35/53/41/1010355341.db2.gz QZXQQGRSCHLSSE-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001443347261 1010355351 /nfs/dbraw/zinc/35/53/51/1010355351.db2.gz QZXQQGRSCHLSSE-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@H](O)CN1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001422793284 1010616895 /nfs/dbraw/zinc/61/68/95/1010616895.db2.gz ZAZLPWROGGRPCY-KGLIPLIRSA-N 1 3 315.458 0.162 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001422987588 1010790159 /nfs/dbraw/zinc/79/01/59/1010790159.db2.gz MXPPTFFFDYGCIN-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001422987588 1010790162 /nfs/dbraw/zinc/79/01/62/1010790162.db2.gz MXPPTFFFDYGCIN-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C(C)C)C1=O ZINC001443987816 1010791211 /nfs/dbraw/zinc/79/12/11/1010791211.db2.gz TWFQZGSVSSWUND-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001423033406 1010825425 /nfs/dbraw/zinc/82/54/25/1010825425.db2.gz WAGHJYYZICOFKZ-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001423033406 1010825427 /nfs/dbraw/zinc/82/54/27/1010825427.db2.gz WAGHJYYZICOFKZ-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001423043960 1010836447 /nfs/dbraw/zinc/83/64/47/1010836447.db2.gz MXHBOPCVHAHRHZ-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001423043960 1010836452 /nfs/dbraw/zinc/83/64/52/1010836452.db2.gz MXHBOPCVHAHRHZ-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC2CC[NH+](CCCO)CC2)C1 ZINC001444220953 1010910357 /nfs/dbraw/zinc/91/03/57/1010910357.db2.gz LBKMOAVSFKNEAX-OAHLLOKOSA-N 1 3 311.470 0.929 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC)C(C)(C)C1 ZINC001423404920 1011127476 /nfs/dbraw/zinc/12/74/76/1011127476.db2.gz PZCAKTJKXXVNBF-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001423476005 1011174987 /nfs/dbraw/zinc/17/49/87/1011174987.db2.gz WQPHFSKUMVPUKC-ZBFHGGJFSA-N 1 3 320.437 0.332 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001444822822 1011180398 /nfs/dbraw/zinc/18/03/98/1011180398.db2.gz SPWIQEPODMGCTH-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001444871832 1011192833 /nfs/dbraw/zinc/19/28/33/1011192833.db2.gz MWEUDLABZZWPLX-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001423623996 1011360268 /nfs/dbraw/zinc/36/02/68/1011360268.db2.gz PSYZOGHZOXGPDH-CQSZACIVSA-N 1 3 324.473 0.777 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001423657401 1011396307 /nfs/dbraw/zinc/39/63/07/1011396307.db2.gz SVMPJHUMSLDUTJ-WMLDXEAASA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001431645125 1011497399 /nfs/dbraw/zinc/49/73/99/1011497399.db2.gz FWWFOQATVLZAIH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431645125 1011497406 /nfs/dbraw/zinc/49/74/06/1011497406.db2.gz FWWFOQATVLZAIH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CCCCN1C ZINC001445301861 1011627780 /nfs/dbraw/zinc/62/77/80/1011627780.db2.gz MHIFBMSYLVIDJZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001423952084 1011767484 /nfs/dbraw/zinc/76/74/84/1011767484.db2.gz XCUTWROYDVNVOZ-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CCNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001423984642 1011799961 /nfs/dbraw/zinc/79/99/61/1011799961.db2.gz ZYDIBYOLCVYGEW-QDMKHBRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001445558914 1011927744 /nfs/dbraw/zinc/92/77/44/1011927744.db2.gz LEJDJKXIKIYKOH-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001445558914 1011927756 /nfs/dbraw/zinc/92/77/56/1011927756.db2.gz LEJDJKXIKIYKOH-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445571442 1011942276 /nfs/dbraw/zinc/94/22/76/1011942276.db2.gz KLNUIWOGMKHOTG-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445571442 1011942285 /nfs/dbraw/zinc/94/22/85/1011942285.db2.gz KLNUIWOGMKHOTG-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001424082603 1011967624 /nfs/dbraw/zinc/96/76/24/1011967624.db2.gz KGIYIQSWLRWRBH-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)[C@@H]1CCCN1C ZINC001432111682 1011985482 /nfs/dbraw/zinc/98/54/82/1011985482.db2.gz SYPVHKHVJXFCKF-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001553449743 1011986113 /nfs/dbraw/zinc/98/61/13/1011986113.db2.gz NQPNYWOLXQFRJF-HOCLYGCPSA-N 1 3 310.442 0.635 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)CCC[NH+](C)C)N(C)C ZINC001432116928 1011987310 /nfs/dbraw/zinc/98/73/10/1011987310.db2.gz QJYCEAKUVVMSSW-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001445603262 1011988995 /nfs/dbraw/zinc/98/89/95/1011988995.db2.gz CQQGDWLIPQPPIU-STQMWFEESA-N 1 3 307.442 0.665 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553452205 1011989018 /nfs/dbraw/zinc/98/90/18/1011989018.db2.gz UQBLAKVWZCUJPB-HRCADAONSA-N 1 3 324.469 0.738 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553507883 1012047301 /nfs/dbraw/zinc/04/73/01/1012047301.db2.gz PWBCOSLSUNJLHS-ILXRZTDVSA-N 1 3 310.442 0.369 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CCCC1 ZINC001553510843 1012054407 /nfs/dbraw/zinc/05/44/07/1012054407.db2.gz YWYSNOYMDFFNGE-JYJNAYRXSA-N 1 3 324.469 0.745 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553513204 1012059420 /nfs/dbraw/zinc/05/94/20/1012059420.db2.gz GAWJGRQRNPFNOX-ZQDZILKHSA-N 1 3 310.442 0.368 20 0 DCADHO [NH3+]C1CC(CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553546408 1012096621 /nfs/dbraw/zinc/09/66/21/1012096621.db2.gz ATCPDCFUICRYCJ-CVSAEHQPSA-N 1 3 310.442 0.354 20 0 DCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553548570 1012099204 /nfs/dbraw/zinc/09/92/04/1012099204.db2.gz QOEHQNBWGMGRMM-XHSDSOJGSA-N 1 3 324.469 0.759 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001424218904 1012183208 /nfs/dbraw/zinc/18/32/08/1012183208.db2.gz VPXHTNJSDQRWPX-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001424261236 1012258460 /nfs/dbraw/zinc/25/84/60/1012258460.db2.gz PVCXHWUTEISJEG-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001424261236 1012258474 /nfs/dbraw/zinc/25/84/74/1012258474.db2.gz PVCXHWUTEISJEG-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1NCCc2ccccc21 ZINC001548557672 1012480538 /nfs/dbraw/zinc/48/05/38/1012480538.db2.gz JRALFIYFJVESIR-RDJZCZTQSA-N 1 3 303.406 0.494 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1 ZINC001446170475 1012656939 /nfs/dbraw/zinc/65/69/39/1012656939.db2.gz MZVCKDCIUDVSRY-ZIAGYGMSSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1 ZINC001446170475 1012656949 /nfs/dbraw/zinc/65/69/49/1012656949.db2.gz MZVCKDCIUDVSRY-ZIAGYGMSSA-N 1 3 324.469 0.574 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001429785324 1012773836 /nfs/dbraw/zinc/77/38/36/1012773836.db2.gz WJJKTYNVAKWSHT-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N1CCN(c2cccc(NC(=O)CNCC[NH3+])c2)CC1 ZINC001521621694 1017398106 /nfs/dbraw/zinc/39/81/06/1017398106.db2.gz COEZPSLIZUVVEN-UHFFFAOYSA-N 1 3 319.453 0.704 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001479416402 1017549635 /nfs/dbraw/zinc/54/96/35/1017549635.db2.gz HOBIFVWVZCFNHX-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(N)=O)C1 ZINC001479572190 1017590594 /nfs/dbraw/zinc/59/05/94/1017590594.db2.gz JSDNIWNKRQJEGS-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCC(N)=O)C1 ZINC001479572190 1017590603 /nfs/dbraw/zinc/59/06/03/1017590603.db2.gz JSDNIWNKRQJEGS-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCC(N)=O)C1 ZINC001479572190 1017590612 /nfs/dbraw/zinc/59/06/12/1017590612.db2.gz JSDNIWNKRQJEGS-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]([NH2+]CCCO)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001506837198 1017597275 /nfs/dbraw/zinc/59/72/75/1017597275.db2.gz SBDWTFCOGIVKHI-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001506899672 1017652150 /nfs/dbraw/zinc/65/21/50/1017652150.db2.gz YYDXMAWHPAFRCO-AJNGGQMLSA-N 1 3 324.469 0.608 20 0 DCADHO C[C@H](N[C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001479690582 1017655148 /nfs/dbraw/zinc/65/51/48/1017655148.db2.gz RDJYGIANTJIHTN-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001506950434 1017695317 /nfs/dbraw/zinc/69/53/17/1017695317.db2.gz GOBJAVYIAOPSNF-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2cccnc2)CC[N@@H+]1C ZINC001497039573 1017769007 /nfs/dbraw/zinc/76/90/07/1017769007.db2.gz JGJPXKLJASJEAH-BPUTZDHNSA-N 1 3 320.437 0.379 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2cccnc2)CC[N@H+]1C ZINC001497039573 1017769017 /nfs/dbraw/zinc/76/90/17/1017769017.db2.gz JGJPXKLJASJEAH-BPUTZDHNSA-N 1 3 320.437 0.379 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001499602491 1017990131 /nfs/dbraw/zinc/99/01/31/1017990131.db2.gz JMSSNHACKBAROV-GOEBONIOSA-N 1 3 315.433 0.583 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001499602491 1017990138 /nfs/dbraw/zinc/99/01/38/1017990138.db2.gz JMSSNHACKBAROV-GOEBONIOSA-N 1 3 315.433 0.583 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001497272777 1018011893 /nfs/dbraw/zinc/01/18/93/1018011893.db2.gz SNFAGYZVRFZSFZ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CC12CCN([C@H]1CCCNC1=O)CC2 ZINC001479985614 1018095277 /nfs/dbraw/zinc/09/52/77/1018095277.db2.gz SAKCPQLZPMKNGX-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O ZINC001499883391 1018119500 /nfs/dbraw/zinc/11/95/00/1018119500.db2.gz VPYMTSKHOOSNQD-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001494872791 1018120886 /nfs/dbraw/zinc/12/08/86/1018120886.db2.gz WFNOUYUPVZQQMS-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001480173783 1018281359 /nfs/dbraw/zinc/28/13/59/1018281359.db2.gz NAFINAXEWOIQPQ-SYQHCUMBSA-N 1 3 310.442 0.232 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C(C)C ZINC001495094613 1018305180 /nfs/dbraw/zinc/30/51/80/1018305180.db2.gz PWAUZZBYJPCCET-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001495110476 1018322492 /nfs/dbraw/zinc/32/24/92/1018322492.db2.gz YCWIEYOFPWVFSJ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001495110476 1018322509 /nfs/dbraw/zinc/32/25/09/1018322509.db2.gz YCWIEYOFPWVFSJ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)C1=O ZINC001497673044 1018326648 /nfs/dbraw/zinc/32/66/48/1018326648.db2.gz DBYUTPCBRLBJDQ-GJBLVYBDSA-N 1 3 310.442 0.209 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001497828897 1018452298 /nfs/dbraw/zinc/45/22/98/1018452298.db2.gz CJBRBDSXFLJGFH-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001497843511 1018465362 /nfs/dbraw/zinc/46/53/62/1018465362.db2.gz RFYRQYLDLGKEAL-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001497843511 1018465367 /nfs/dbraw/zinc/46/53/67/1018465367.db2.gz RFYRQYLDLGKEAL-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001495577580 1018583612 /nfs/dbraw/zinc/58/36/12/1018583612.db2.gz HOWRYZFIUUDNSL-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001495577580 1018583624 /nfs/dbraw/zinc/58/36/24/1018583624.db2.gz HOWRYZFIUUDNSL-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)n1 ZINC001480537881 1018637533 /nfs/dbraw/zinc/63/75/33/1018637533.db2.gz QYUUZOXPECUNLO-STQMWFEESA-N 1 3 322.457 0.331 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)NCC(=O)NC2CC2)CC1 ZINC001480561594 1018660657 /nfs/dbraw/zinc/66/06/57/1018660657.db2.gz HTDDHQVKFLNWRA-ZDUSSCGKSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001498197234 1018745822 /nfs/dbraw/zinc/74/58/22/1018745822.db2.gz HJLNAQVWZAHJKI-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)CCc1ccnn1C ZINC001498456912 1019136165 /nfs/dbraw/zinc/13/61/65/1019136165.db2.gz QNAHXVBHXFWSDA-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)CCc1ccnn1C ZINC001498456912 1019136168 /nfs/dbraw/zinc/13/61/68/1019136168.db2.gz QNAHXVBHXFWSDA-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C(=O)CN1CCCC1 ZINC001496230625 1019180639 /nfs/dbraw/zinc/18/06/39/1019180639.db2.gz ZRQUEXLFPQACKI-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)C[C@H](CNCc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496294991 1019223453 /nfs/dbraw/zinc/22/34/53/1019223453.db2.gz IQKVMAHGDQGKDF-HUUCEWRRSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@H](CNCc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496294991 1019223465 /nfs/dbraw/zinc/22/34/65/1019223465.db2.gz IQKVMAHGDQGKDF-HUUCEWRRSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496294989 1019226038 /nfs/dbraw/zinc/22/60/38/1019226038.db2.gz IQKVMAHGDQGKDF-GJZGRUSLSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496294989 1019226046 /nfs/dbraw/zinc/22/60/46/1019226046.db2.gz IQKVMAHGDQGKDF-GJZGRUSLSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]C[C@H](C)O ZINC001501496554 1019244698 /nfs/dbraw/zinc/24/46/98/1019244698.db2.gz FGCDOOSPQKPOMJ-GJZGRUSLSA-N 1 3 315.458 0.041 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCNCc2cnns2)C1 ZINC001498612425 1019268236 /nfs/dbraw/zinc/26/82/36/1019268236.db2.gz ILUDVRWMMGJAHB-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNCc2cnns2)C1 ZINC001498612425 1019268253 /nfs/dbraw/zinc/26/82/53/1019268253.db2.gz ILUDVRWMMGJAHB-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001498873019 1019492061 /nfs/dbraw/zinc/49/20/61/1019492061.db2.gz IGMKZEALIWOFCW-GOEBONIOSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001501940137 1019572793 /nfs/dbraw/zinc/57/27/93/1019572793.db2.gz KZGCATITVQDLAK-WLBISTCBSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001501940137 1019572804 /nfs/dbraw/zinc/57/28/04/1019572804.db2.gz KZGCATITVQDLAK-WLBISTCBSA-N 1 3 324.469 0.457 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cncc(F)c2)CC[N@@H+]1C ZINC001496978579 1019871665 /nfs/dbraw/zinc/87/16/65/1019871665.db2.gz GMDJZXRAZVCAJC-KCPJHIHWSA-N 1 3 324.400 0.128 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cncc(F)c2)CC[N@H+]1C ZINC001496978579 1019871677 /nfs/dbraw/zinc/87/16/77/1019871677.db2.gz GMDJZXRAZVCAJC-KCPJHIHWSA-N 1 3 324.400 0.128 20 0 DCADHO CCNC(=O)CN(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001494213500 1020077529 /nfs/dbraw/zinc/07/75/29/1020077529.db2.gz JGSGOUTXGOTFEP-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)CN(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001494213500 1020077541 /nfs/dbraw/zinc/07/75/41/1020077541.db2.gz JGSGOUTXGOTFEP-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C[C@@H](O)CN1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000351722153 282215384 /nfs/dbraw/zinc/21/53/84/282215384.db2.gz WHCZNMOXJJKKOQ-VQHPVUNQSA-N 1 3 311.470 0.625 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419807972 282252255 /nfs/dbraw/zinc/25/22/55/282252255.db2.gz UDEVDEZJJCMSGR-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332629432 529959856 /nfs/dbraw/zinc/95/98/56/529959856.db2.gz JHCLKWZLUJTXPH-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415500598 529988917 /nfs/dbraw/zinc/98/89/17/529988917.db2.gz SSUVSDYDZATIBW-HNNXBMFYSA-N 1 3 318.421 0.897 20 0 DCADHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1OCC(N)=O ZINC001645798171 1172146719 /nfs/dbraw/zinc/14/67/19/1172146719.db2.gz PQRHRHHGTCTJHC-LBPRGKRZSA-N 1 3 309.410 0.847 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263261384 283058627 /nfs/dbraw/zinc/05/86/27/283058627.db2.gz SPRIDIYKUGLARZ-ZFWWWQNUSA-N 1 3 312.458 0.276 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263261384 283058629 /nfs/dbraw/zinc/05/86/29/283058629.db2.gz SPRIDIYKUGLARZ-ZFWWWQNUSA-N 1 3 312.458 0.276 20 0 DCADHO NS(=O)(=O)CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963356 237168463 /nfs/dbraw/zinc/16/84/63/237168463.db2.gz KHEMWPOBVXLWKU-UHFFFAOYSA-N 1 3 319.471 0.242 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000423025376 296021244 /nfs/dbraw/zinc/02/12/44/296021244.db2.gz LOHHYSRKGUYISM-VYDXJSESSA-N 1 3 320.481 0.991 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[NH+](C)C ZINC000163291576 291246554 /nfs/dbraw/zinc/24/65/54/291246554.db2.gz NOWWZOUYGSNVCU-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N1CCCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000566293739 291291702 /nfs/dbraw/zinc/29/17/02/291291702.db2.gz CHKVZRALGPLHCK-UHFFFAOYSA-N 1 3 308.430 0.573 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566507888 291310217 /nfs/dbraw/zinc/31/02/17/291310217.db2.gz COCJYILAZUMKDX-HUUCEWRRSA-N 1 3 312.458 0.866 20 0 DCADHO CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000566800274 291323903 /nfs/dbraw/zinc/32/39/03/291323903.db2.gz WIKSWZFCGSLILW-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420125984 240019550 /nfs/dbraw/zinc/01/95/50/240019550.db2.gz QGTUFMCRPYZUAT-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420031639 240010434 /nfs/dbraw/zinc/01/04/34/240010434.db2.gz SAUPOXULFCQDGU-ZDUSSCGKSA-N 1 3 300.447 0.276 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420064455 240013712 /nfs/dbraw/zinc/01/37/12/240013712.db2.gz OUGNKNKZXAPCPF-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000566923427 291329597 /nfs/dbraw/zinc/32/95/97/291329597.db2.gz GCFXRNZOXHHOBN-LBPRGKRZSA-N 1 3 306.410 0.202 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000566974544 291331559 /nfs/dbraw/zinc/33/15/59/291331559.db2.gz ZPBIRTCKPKXDNE-CHWSQXEVSA-N 1 3 320.437 0.606 20 0 DCADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1C[NH2+]C1 ZINC000423035304 240188810 /nfs/dbraw/zinc/18/88/10/240188810.db2.gz YRBRJURUTFVMDY-YOEHRIQHSA-N 1 3 318.465 0.473 20 0 DCADHO CCOC(=O)C1([C@H](C)[NH2+]Cc2cnc(C)[n-]c2=O)CC[NH2+]CC1 ZINC000423033336 240189283 /nfs/dbraw/zinc/18/92/83/240189283.db2.gz OINRHOXXDHEHNT-NSHDSACASA-N 1 3 322.409 0.902 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422689297 240178143 /nfs/dbraw/zinc/17/81/43/240178143.db2.gz FCCAAQZTZQTGOC-GJZGRUSLSA-N 1 3 304.442 0.316 20 0 DCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000422689297 240178146 /nfs/dbraw/zinc/17/81/46/240178146.db2.gz FCCAAQZTZQTGOC-GJZGRUSLSA-N 1 3 304.442 0.316 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000567097082 291336839 /nfs/dbraw/zinc/33/68/39/291336839.db2.gz SNCWEAUPUSJIGC-HNNXBMFYSA-N 1 3 313.490 0.557 20 0 DCADHO CN1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](CN)C1 ZINC000567222813 291342954 /nfs/dbraw/zinc/34/29/54/291342954.db2.gz KMLKIUQFBMCVDP-HNNXBMFYSA-N 1 3 309.458 0.288 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@H]1[NH3+] ZINC000567644384 291366334 /nfs/dbraw/zinc/36/63/34/291366334.db2.gz YBTUDMPGQVUATN-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000567736072 291374079 /nfs/dbraw/zinc/37/40/79/291374079.db2.gz GEUVJDKBHQQIEO-IAGOWNOFSA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)NCC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000568286805 291421299 /nfs/dbraw/zinc/42/12/99/291421299.db2.gz HDZOKHCRGHUYHB-UHFFFAOYSA-N 1 3 320.437 0.907 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000104382300 194004574 /nfs/dbraw/zinc/00/45/74/194004574.db2.gz UGKDRWUNWKPOTD-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000104382300 194004575 /nfs/dbraw/zinc/00/45/75/194004575.db2.gz UGKDRWUNWKPOTD-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000349934703 285059527 /nfs/dbraw/zinc/05/95/27/285059527.db2.gz ONYJXBLBDAQJGK-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000339579394 253107467 /nfs/dbraw/zinc/10/74/67/253107467.db2.gz CXAQREGLXOQJFW-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000339581159 253109136 /nfs/dbraw/zinc/10/91/36/253109136.db2.gz MFYDGMUPIALGPF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000339632794 253117790 /nfs/dbraw/zinc/11/77/90/253117790.db2.gz IFVZZCXOPHKMFV-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C[C@H]1C ZINC000339634066 253118699 /nfs/dbraw/zinc/11/86/99/253118699.db2.gz LCLRFXJRIYRZLV-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C[C@H]1C ZINC000339634066 253118700 /nfs/dbraw/zinc/11/87/00/253118700.db2.gz LCLRFXJRIYRZLV-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339636908 253119418 /nfs/dbraw/zinc/11/94/18/253119418.db2.gz KRTPAVIEZPSFQD-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339636908 253119420 /nfs/dbraw/zinc/11/94/20/253119420.db2.gz KRTPAVIEZPSFQD-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000339636425 253119640 /nfs/dbraw/zinc/11/96/40/253119640.db2.gz LSCGFUXXGPERET-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339636907 253119675 /nfs/dbraw/zinc/11/96/75/253119675.db2.gz KRTPAVIEZPSFQD-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339636907 253119676 /nfs/dbraw/zinc/11/96/76/253119676.db2.gz KRTPAVIEZPSFQD-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)C1CC1 ZINC000340479961 253261509 /nfs/dbraw/zinc/26/15/09/253261509.db2.gz NTKXXMIKLFRFEV-UMVBOHGHSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)C1CC1 ZINC000340479961 253261511 /nfs/dbraw/zinc/26/15/11/253261511.db2.gz NTKXXMIKLFRFEV-UMVBOHGHSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(C)C1CC1 ZINC000340791514 253304300 /nfs/dbraw/zinc/30/43/00/253304300.db2.gz DXZZYTBUFPMDPE-BPLDGKMQSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N(C)C1CC1 ZINC000340791514 253304301 /nfs/dbraw/zinc/30/43/01/253304301.db2.gz DXZZYTBUFPMDPE-BPLDGKMQSA-N 1 3 322.453 0.328 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341205937 253357536 /nfs/dbraw/zinc/35/75/36/253357536.db2.gz RWYXPHQIVGYTFS-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341205937 253357539 /nfs/dbraw/zinc/35/75/39/253357539.db2.gz RWYXPHQIVGYTFS-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000347999232 254211084 /nfs/dbraw/zinc/21/10/84/254211084.db2.gz GFFWODWXLDYFAV-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351475798 254337650 /nfs/dbraw/zinc/33/76/50/254337650.db2.gz JGBDRXJWUVIULI-NWANDNLSSA-N 1 3 316.405 0.783 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000349902497 254302831 /nfs/dbraw/zinc/30/28/31/254302831.db2.gz AMRCHSZQJZYLSE-OAHLLOKOSA-N 1 3 314.474 0.936 20 0 DCADHO CN(C)CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351546775 254346025 /nfs/dbraw/zinc/34/60/25/254346025.db2.gz ZUYWPIISBBFPKR-OAHLLOKOSA-N 1 3 318.421 0.449 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351689038 254358881 /nfs/dbraw/zinc/35/88/81/254358881.db2.gz YVQDNADOQBRZTP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[C@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCN1CCOC ZINC000351719762 254361973 /nfs/dbraw/zinc/36/19/73/254361973.db2.gz SPNIKDMXWNXZPJ-IRXDYDNUSA-N 1 3 313.486 0.874 20 0 DCADHO CCC[C@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCN1CCOC ZINC000351719762 254361975 /nfs/dbraw/zinc/36/19/75/254361975.db2.gz SPNIKDMXWNXZPJ-IRXDYDNUSA-N 1 3 313.486 0.874 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369173636 285322124 /nfs/dbraw/zinc/32/21/24/285322124.db2.gz JGQFNJZOVFVCAT-JFIYKMOQSA-N 1 3 322.497 0.766 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc2c(c1)CNCCO2 ZINC000295005673 224373393 /nfs/dbraw/zinc/37/33/93/224373393.db2.gz LRZPMALKLIBJSQ-AWEZNQCLSA-N 1 3 305.378 0.876 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000557246379 288414947 /nfs/dbraw/zinc/41/49/47/288414947.db2.gz BCKBNLRSUCLMDW-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO CNC(=O)CCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000108865383 395794275 /nfs/dbraw/zinc/79/42/75/395794275.db2.gz LLIVQXBKTOJYFP-UHFFFAOYSA-N 1 3 318.465 0.872 20 0 DCADHO CNC(=O)CCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108865383 395794279 /nfs/dbraw/zinc/79/42/79/395794279.db2.gz LLIVQXBKTOJYFP-UHFFFAOYSA-N 1 3 318.465 0.872 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000125399872 395903121 /nfs/dbraw/zinc/90/31/21/395903121.db2.gz IEJHHYTUFBSEPU-BARDWOONSA-N 1 3 315.483 0.717 20 0 DCADHO CCN(CCO)CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000274566676 395959471 /nfs/dbraw/zinc/95/94/71/395959471.db2.gz QIAIXKKOVJUFEJ-UHFFFAOYSA-N 1 3 323.437 0.671 20 0 DCADHO C[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000261685610 396055937 /nfs/dbraw/zinc/05/59/37/396055937.db2.gz BSJSEITZWFSBSY-DGCLKSJQSA-N 1 3 304.394 0.670 20 0 DCADHO C[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000261685610 396055940 /nfs/dbraw/zinc/05/59/40/396055940.db2.gz BSJSEITZWFSBSY-DGCLKSJQSA-N 1 3 304.394 0.670 20 0 DCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155692687 396056808 /nfs/dbraw/zinc/05/68/08/396056808.db2.gz ZYTHOVMMTCJEGJ-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000261719299 396059296 /nfs/dbraw/zinc/05/92/96/396059296.db2.gz FAQPPNSWBJJEDG-OAHLLOKOSA-N 1 3 309.454 0.947 20 0 DCADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276582666 396012555 /nfs/dbraw/zinc/01/25/55/396012555.db2.gz CSDKQZHQHQEMMS-UMVBOHGHSA-N 1 3 323.462 0.799 20 0 DCADHO CN(CCNC(=O)C1(C[NH3+])CCOCC1)Cc1ccccc1 ZINC000262094540 396098126 /nfs/dbraw/zinc/09/81/26/396098126.db2.gz DGJYYWNTLLOEOQ-UHFFFAOYSA-N 1 3 305.422 0.990 20 0 DCADHO COCCN(C)CCNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000171196117 396110193 /nfs/dbraw/zinc/11/01/93/396110193.db2.gz CFIKCQTZDVDMRC-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@H]([NH3+])CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000261871456 396073973 /nfs/dbraw/zinc/07/39/73/396073973.db2.gz QUICRJSQZURBBK-JTQLQIEISA-N 1 3 306.366 0.832 20 0 DCADHO O=C(CCN1CCC([NH+]2CCCCC2)CC1)N1CCNCC1 ZINC000261923591 396080477 /nfs/dbraw/zinc/08/04/77/396080477.db2.gz IIMUVOFYMXFBRE-UHFFFAOYSA-N 1 3 308.470 0.759 20 0 DCADHO COCc1noc(CN2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC000261958641 396084199 /nfs/dbraw/zinc/08/41/99/396084199.db2.gz OXFMKKNYMRDITJ-UHFFFAOYSA-N 1 3 309.414 0.333 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279076522 396151556 /nfs/dbraw/zinc/15/15/56/396151556.db2.gz UQPNCTUSOSJVRE-UEKVPHQBSA-N 1 3 303.410 0.699 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000262607343 396161139 /nfs/dbraw/zinc/16/11/39/396161139.db2.gz CGLKKDGYPGPSAD-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO CC[NH+](CC)CCN(CCOC)C(=O)C[C@H]1CSCCN1 ZINC000262830276 396185095 /nfs/dbraw/zinc/18/50/95/396185095.db2.gz UWCREAJJNKJHHG-AWEZNQCLSA-N 1 3 317.499 0.898 20 0 DCADHO CCS(=O)(=O)C[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000183075401 396260502 /nfs/dbraw/zinc/26/05/02/396260502.db2.gz JMESTRDJOOQKMY-ZDUSSCGKSA-N 1 3 305.488 0.425 20 0 DCADHO CN(C)C/C=C/C(=O)NC1(CNC(=O)/C=C/C[NH+](C)C)CCC1 ZINC000285798953 396354249 /nfs/dbraw/zinc/35/42/49/396354249.db2.gz VMIONPDTWPMIFB-XVYDYJIPSA-N 1 3 322.453 0.377 20 0 DCADHO CN(C)C/C=C/C(=O)NCC1(NC(=O)/C=C/C[NH+](C)C)CCC1 ZINC000285798953 396354252 /nfs/dbraw/zinc/35/42/52/396354252.db2.gz VMIONPDTWPMIFB-XVYDYJIPSA-N 1 3 322.453 0.377 20 0 DCADHO C[NH+](C)C1(CNC(=O)C[C@H]2CNCCO2)Cc2ccccc2C1 ZINC000269273670 396402608 /nfs/dbraw/zinc/40/26/08/396402608.db2.gz VFHUBLQGMJFYEF-INIZCTEOSA-N 1 3 317.433 0.580 20 0 DCADHO [NH3+]CCCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000269280889 396403158 /nfs/dbraw/zinc/40/31/58/396403158.db2.gz FPSCBVBXLGSZFO-UHFFFAOYSA-N 1 3 305.426 0.449 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)C2)CC1 ZINC000580772756 396498644 /nfs/dbraw/zinc/49/86/44/396498644.db2.gz UMVQUJOWRRTKDP-NUJGCVRESA-N 1 3 320.481 0.613 20 0 DCADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000581419205 396552534 /nfs/dbraw/zinc/55/25/34/396552534.db2.gz NHDZKTAHPCBMAY-OAHLLOKOSA-N 1 3 312.458 0.882 20 0 DCADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561526924 396643652 /nfs/dbraw/zinc/64/36/52/396643652.db2.gz CJTUMLURHNDJTE-WULFKBJJSA-N 1 3 308.426 0.970 20 0 DCADHO C[C@H]1CSC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000561565917 396644204 /nfs/dbraw/zinc/64/42/04/396644204.db2.gz DVRNEGOCURQBOZ-QWHCGFSZSA-N 1 3 302.488 0.873 20 0 DCADHO C[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C(=O)NCC[NH+](C)C ZINC000560563272 396620614 /nfs/dbraw/zinc/62/06/14/396620614.db2.gz YSUOOMAMOYIFOB-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000562812152 396681400 /nfs/dbraw/zinc/68/14/00/396681400.db2.gz KIHGIFIBPFHTJO-AWEZNQCLSA-N 1 3 311.474 0.311 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)[C@@H]2C1 ZINC000563086264 396701043 /nfs/dbraw/zinc/70/10/43/396701043.db2.gz FYUWUJULUPENNE-TYNCELHUSA-N 1 3 303.410 0.653 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000595990785 396704302 /nfs/dbraw/zinc/70/43/02/396704302.db2.gz RTBYSAURIFBVFX-OLZOCXBDSA-N 1 3 305.426 0.933 20 0 DCADHO CC(C)N1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000563207881 396714265 /nfs/dbraw/zinc/71/42/65/396714265.db2.gz RJAPOVCINPGAOI-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CC[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000563940921 396795601 /nfs/dbraw/zinc/79/56/01/396795601.db2.gz MTCXCZBCOBRDBT-KGLIPLIRSA-N 1 3 300.447 0.689 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000316904425 396797719 /nfs/dbraw/zinc/79/77/19/396797719.db2.gz SPEQABQMVCZDRW-LBPRGKRZSA-N 1 3 306.414 0.274 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000564725877 396861228 /nfs/dbraw/zinc/86/12/28/396861228.db2.gz GPNSQFYJNGPCEQ-XUJVJEKNSA-N 1 3 305.426 0.899 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000564725869 396862200 /nfs/dbraw/zinc/86/22/00/396862200.db2.gz GPNSQFYJNGPCEQ-JMSVASOKSA-N 1 3 305.426 0.899 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](C2CC2)CC1 ZINC000375758774 396813824 /nfs/dbraw/zinc/81/38/24/396813824.db2.gz WCAYHYMMLNBAKU-CVEARBPZSA-N 1 3 307.438 0.840 20 0 DCADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629958597 396895791 /nfs/dbraw/zinc/89/57/91/396895791.db2.gz SSMOCMWDNXLWMU-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CSC1(CNC(=O)NCC[NH2+]C2CC2)CCN(C)CC1 ZINC000591358441 396909292 /nfs/dbraw/zinc/90/92/92/396909292.db2.gz KVMNGFMHEYZULR-UHFFFAOYSA-N 1 3 300.472 0.865 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N(C)C1CC1 ZINC000333445641 396924762 /nfs/dbraw/zinc/92/47/62/396924762.db2.gz WTTSVXYNZCCIQZ-HIFRSBDPSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CCN(C2CC2)C1 ZINC000333720495 396931200 /nfs/dbraw/zinc/93/12/00/396931200.db2.gz UNPBKMXAMKKPQW-UKRRQHHQSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000340266716 396967664 /nfs/dbraw/zinc/96/76/64/396967664.db2.gz VSWBXFJUJHKJQX-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CN1C1CC1 ZINC000346085540 397018485 /nfs/dbraw/zinc/01/84/85/397018485.db2.gz LWTZWMCDIXAHNC-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000612547823 397091796 /nfs/dbraw/zinc/09/17/96/397091796.db2.gz HGIIONXPJBPEIQ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000612549201 397092314 /nfs/dbraw/zinc/09/23/14/397092314.db2.gz VRODVSFXHJDLJH-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000612547225 397092423 /nfs/dbraw/zinc/09/24/23/397092423.db2.gz AQKRKGQIODYKEJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCC[NH+](C)C)CCn1cc([C@H](N)[C@H]2CCCO2)nn1 ZINC000630611364 397060950 /nfs/dbraw/zinc/06/09/50/397060950.db2.gz FCALSFQRCDVVMH-CABCVRRESA-N 1 3 310.446 0.340 20 0 DCADHO COCCCN1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612971977 397166153 /nfs/dbraw/zinc/16/61/53/397166153.db2.gz UNDSWWHLJUDHLC-HNNXBMFYSA-N 1 3 324.469 0.929 20 0 DCADHO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000364083906 397181773 /nfs/dbraw/zinc/18/17/73/397181773.db2.gz XNZMVOLZBYOBFV-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCCNC(=O)NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492916 397193254 /nfs/dbraw/zinc/19/32/54/397193254.db2.gz HPHYEJBSTDVTTC-KBPBESRZSA-N 1 3 310.442 0.934 20 0 DCADHO CCOC(=O)c1cc(CNCCN2CCC([NH+](C)C)CC2)[nH]n1 ZINC000592508071 397196550 /nfs/dbraw/zinc/19/65/50/397196550.db2.gz ORPJXYSVTNIUKM-UHFFFAOYSA-N 1 3 323.441 0.702 20 0 DCADHO COC1(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CCOCC1 ZINC000365339392 397269180 /nfs/dbraw/zinc/26/91/80/397269180.db2.gz XZNQXQWQXGCUKX-OAHLLOKOSA-N 1 3 311.470 0.940 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)nn1 ZINC000574636014 397286573 /nfs/dbraw/zinc/28/65/73/397286573.db2.gz ZPVUJUOPPQBNOY-CYBMUJFWSA-N 1 3 306.414 0.327 20 0 DCADHO CCC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)COC1 ZINC000574656728 397289721 /nfs/dbraw/zinc/28/97/21/397289721.db2.gz ZDWCIOOSQUZFFT-UHFFFAOYSA-N 1 3 300.447 0.548 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592956074 397301594 /nfs/dbraw/zinc/30/15/94/397301594.db2.gz QRGWTYVPIQTHDL-OLZOCXBDSA-N 1 3 305.426 0.933 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592964386 397306024 /nfs/dbraw/zinc/30/60/24/397306024.db2.gz ISBSSDHPGGGSBX-QWHCGFSZSA-N 1 3 305.426 0.791 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](O)C3)CC2)CC1 ZINC000620876179 397312560 /nfs/dbraw/zinc/31/25/60/397312560.db2.gz BGNWVOZVEKRYPF-KOMQPUFPSA-N 1 3 309.454 0.822 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000626854304 397263947 /nfs/dbraw/zinc/26/39/47/397263947.db2.gz HCJKXQHHICJGNB-UHFFFAOYSA-N 1 3 322.409 0.373 20 0 DCADHO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCCC1 ZINC000577510336 397337839 /nfs/dbraw/zinc/33/78/39/397337839.db2.gz IZUWNPSSFFOLAS-STQMWFEESA-N 1 3 306.414 0.244 20 0 DCADHO COCC1(CNC(=O)N(C)C[C@@H]2CCCN2C)CC[NH2+]CC1 ZINC000577720016 397353105 /nfs/dbraw/zinc/35/31/05/397353105.db2.gz ITJWHLORIRQMNL-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000577833746 397364340 /nfs/dbraw/zinc/36/43/40/397364340.db2.gz BJWDUWOXIIKJHG-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000577868277 397368222 /nfs/dbraw/zinc/36/82/22/397368222.db2.gz FTIDPEYHWANFAT-AWEZNQCLSA-N 1 3 316.405 0.217 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419689916 397381890 /nfs/dbraw/zinc/38/18/90/397381890.db2.gz CUVJFRPRCILPHH-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419784609 397383233 /nfs/dbraw/zinc/38/32/33/397383233.db2.gz WZKMURRBZHIUDX-RUXDESIVSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423662950 397397891 /nfs/dbraw/zinc/39/78/91/397397891.db2.gz CKZCUXGXKWKMLD-MJBXVCDLSA-N 1 3 310.442 0.267 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000487947942 397479959 /nfs/dbraw/zinc/47/99/59/397479959.db2.gz LSPZSWIKQMZRHJ-UGUYLWEFSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000487947942 397479961 /nfs/dbraw/zinc/47/99/61/397479961.db2.gz LSPZSWIKQMZRHJ-UGUYLWEFSA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@H](CNC(=O)/C=C\C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000491875442 397504696 /nfs/dbraw/zinc/50/46/96/397504696.db2.gz YQWCCZQBXGQJKE-YDZIZOGVSA-N 1 3 310.442 0.233 20 0 DCADHO CC[C@H](CNC(=O)/C=C\CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000491875442 397504697 /nfs/dbraw/zinc/50/46/97/397504697.db2.gz YQWCCZQBXGQJKE-YDZIZOGVSA-N 1 3 310.442 0.233 20 0 DCADHO CCN1CCN(CCCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000579368492 397560062 /nfs/dbraw/zinc/56/00/62/397560062.db2.gz YFDALWVYIMROGM-UHFFFAOYSA-N 1 3 318.465 0.945 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000604206009 397634909 /nfs/dbraw/zinc/63/49/09/397634909.db2.gz ZVCUXVBSHBMYFZ-GDBMZVCRSA-N 1 3 324.469 0.615 20 0 DCADHO COCCN(C)CCNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000076323143 158065175 /nfs/dbraw/zinc/06/51/75/158065175.db2.gz JVZHLTYDNLUXIG-HNNXBMFYSA-N 1 3 315.458 0.474 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000078833455 158075584 /nfs/dbraw/zinc/07/55/84/158075584.db2.gz YQOFIUXVPORLQT-UHFFFAOYSA-N 1 3 310.486 0.958 20 0 DCADHO CC(C)OC[C@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000119721906 158190573 /nfs/dbraw/zinc/19/05/73/158190573.db2.gz CKRQQGWOCBJUDY-MRXNPFEDSA-N 1 3 301.475 0.730 20 0 DCADHO CC(C)OC[C@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000119721906 158190576 /nfs/dbraw/zinc/19/05/76/158190576.db2.gz CKRQQGWOCBJUDY-MRXNPFEDSA-N 1 3 301.475 0.730 20 0 DCADHO Cn1ncc2c1CCC[C@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128210781 158280243 /nfs/dbraw/zinc/28/02/43/158280243.db2.gz YRUNXGSFIOXPAM-DZGCQCFKSA-N 1 3 319.453 0.975 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000164993103 158363575 /nfs/dbraw/zinc/36/35/75/158363575.db2.gz RCUJVEDEXKKSSD-ZDUSSCGKSA-N 1 3 320.441 0.664 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000359272387 159259761 /nfs/dbraw/zinc/25/97/61/159259761.db2.gz AMAUGTFNOXLPAY-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000359272387 159259763 /nfs/dbraw/zinc/25/97/63/159259763.db2.gz AMAUGTFNOXLPAY-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1CN(CC2CC[NH+](CC3(CO)COC3)CC2)C[C@H](C)O1 ZINC000084881728 286930894 /nfs/dbraw/zinc/93/08/94/286930894.db2.gz GNSASUXYYSDHEV-GJZGRUSLSA-N 1 3 312.454 0.817 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C[N@@H+]1C1CC1 ZINC000363953055 287221083 /nfs/dbraw/zinc/22/10/83/287221083.db2.gz OBDJWUXOLFWZJI-VRKREXBASA-N 1 3 322.453 0.774 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C[N@H+]1C1CC1 ZINC000363953055 287221088 /nfs/dbraw/zinc/22/10/88/287221088.db2.gz OBDJWUXOLFWZJI-VRKREXBASA-N 1 3 322.453 0.774 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418398989 287248164 /nfs/dbraw/zinc/24/81/64/287248164.db2.gz WVSVNOVCNCWVGT-UONOGXRCSA-N 1 3 312.458 0.737 20 0 DCADHO COCCNCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418510856 287248871 /nfs/dbraw/zinc/24/88/71/287248871.db2.gz QRBHYNGBFRWRSA-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO COCCNCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418510856 287248873 /nfs/dbraw/zinc/24/88/73/287248873.db2.gz QRBHYNGBFRWRSA-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO COCC1(CNC(=O)N2CCC[C@H](N(C)C)C2)CC[NH2+]CC1 ZINC000418636124 287251781 /nfs/dbraw/zinc/25/17/81/287251781.db2.gz GKBZHULEJNUPLT-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418953022 287256750 /nfs/dbraw/zinc/25/67/50/287256750.db2.gz VZNLKDJGRUIXRH-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419024321 287263196 /nfs/dbraw/zinc/26/31/96/287263196.db2.gz KMIZBHHGBYDQDR-LXTVHRRPSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420300743 287287233 /nfs/dbraw/zinc/28/72/33/287287233.db2.gz VDLWBYPKRKXDPM-ZBFHGGJFSA-N 1 3 304.438 0.699 20 0 DCADHO COc1cccc(OCCN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000420289887 287285952 /nfs/dbraw/zinc/28/59/52/287285952.db2.gz IKPNCEVMPBGAQR-AWEZNQCLSA-N 1 3 321.421 0.861 20 0 DCADHO C[NH2+]C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000420291826 287285958 /nfs/dbraw/zinc/28/59/58/287285958.db2.gz LCMNMHQNMUJSPK-NVXWUHKLSA-N 1 3 318.465 0.947 20 0 DCADHO CN1CCN(C(=O)CC[N@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000420324600 287290644 /nfs/dbraw/zinc/29/06/44/287290644.db2.gz ZXAAUUYDFKMNIE-DLBZAZTESA-N 1 3 316.449 0.577 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000420324600 287290647 /nfs/dbraw/zinc/29/06/47/287290647.db2.gz ZXAAUUYDFKMNIE-DLBZAZTESA-N 1 3 316.449 0.577 20 0 DCADHO CC(C)N(C(=O)[C@H](C)N1CC[C@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000420348140 287293644 /nfs/dbraw/zinc/29/36/44/287293644.db2.gz JTWOPPTWRLOTJV-HOTGVXAUSA-N 1 3 310.486 1.000 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422908036 287303499 /nfs/dbraw/zinc/30/34/99/287303499.db2.gz CUHVQHOKNYEWKQ-CVEARBPZSA-N 1 3 304.438 0.947 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332574017 415416696 /nfs/dbraw/zinc/41/66/96/415416696.db2.gz XNAPROIJFQPHCS-NEXFUWMNSA-N 1 3 322.453 0.458 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC[N@@H+]1C ZINC000332571201 415417411 /nfs/dbraw/zinc/41/74/11/415417411.db2.gz CSZISPHCNXMYOV-LXTVHRRPSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC[N@H+]1C ZINC000332571201 415417432 /nfs/dbraw/zinc/41/74/32/415417432.db2.gz CSZISPHCNXMYOV-LXTVHRRPSA-N 1 3 322.453 0.280 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000332567845 415418346 /nfs/dbraw/zinc/41/83/46/415418346.db2.gz BTSPBCGWAPEFDU-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000332387508 415374759 /nfs/dbraw/zinc/37/47/59/415374759.db2.gz WDYGQNUVMLNJQL-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000353516793 415575445 /nfs/dbraw/zinc/57/54/45/415575445.db2.gz LZXSSDAEFSBEGX-HYVNUMGLSA-N 1 3 322.497 0.622 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343283613 415528748 /nfs/dbraw/zinc/52/87/48/415528748.db2.gz DEJQQNZZRODGNA-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343283613 415528754 /nfs/dbraw/zinc/52/87/54/415528754.db2.gz DEJQQNZZRODGNA-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343291906 415535799 /nfs/dbraw/zinc/53/57/99/415535799.db2.gz DAWAWLBBNLAUDI-OAGGEKHMSA-N 1 3 308.470 0.565 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000353454659 415550750 /nfs/dbraw/zinc/55/07/50/415550750.db2.gz VGEOOJDRTWFUCC-LEWSCRJBSA-N 1 3 313.348 0.500 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353474895 415556014 /nfs/dbraw/zinc/55/60/14/415556014.db2.gz WUQYTUZUDVGWSG-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343342187 415567243 /nfs/dbraw/zinc/56/72/43/415567243.db2.gz VASDGUWXGNQTES-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000333143655 415568583 /nfs/dbraw/zinc/56/85/83/415568583.db2.gz CSIGEZISHVMBQV-HUUCEWRRSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@@H](NC(=O)C(C)(C)C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210744 415614531 /nfs/dbraw/zinc/61/45/31/415614531.db2.gz FLOHGORBTPRXJR-CYBMUJFWSA-N 1 3 314.474 0.489 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000353670015 415621623 /nfs/dbraw/zinc/62/16/23/415621623.db2.gz YKNDXFQMMBPWTO-KRWDZBQOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@]2(N(C)C)CCSC2)CC[C@@H]1[NH3+] ZINC000333402593 415637440 /nfs/dbraw/zinc/63/74/40/415637440.db2.gz QESRJXQNVJKDTH-MBNYWOFBSA-N 1 3 300.472 0.802 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000343634267 415661998 /nfs/dbraw/zinc/66/19/98/415661998.db2.gz FBFBYLXCDJLKBW-IYBDPMFKSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000343634267 415662001 /nfs/dbraw/zinc/66/20/01/415662001.db2.gz FBFBYLXCDJLKBW-IYBDPMFKSA-N 1 3 310.486 0.955 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000343665765 415677119 /nfs/dbraw/zinc/67/71/19/415677119.db2.gz KPLPMDZGCYFTKL-GOEBONIOSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000343665765 415677122 /nfs/dbraw/zinc/67/71/22/415677122.db2.gz KPLPMDZGCYFTKL-GOEBONIOSA-N 1 3 306.454 0.509 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)CCC[NH+]2CCCC2)CC1=O ZINC000343784797 415726933 /nfs/dbraw/zinc/72/69/33/415726933.db2.gz VQWJJYFGTDOEJM-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCC3)C[C@H]2N)cn1 ZINC000333653084 415704146 /nfs/dbraw/zinc/70/41/46/415704146.db2.gz ZIGFZYYSPOEYET-ZNMIVQPWSA-N 1 3 320.441 0.374 20 0 DCADHO C[C@@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C(C)(C)CN(C)C ZINC000343765580 415715385 /nfs/dbraw/zinc/71/53/85/415715385.db2.gz CJWMBQNTKGNGNS-RLAWYHOSSA-N 1 3 309.454 0.894 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@H](O)COC2CCOCC2)CC1 ZINC000127527090 415888180 /nfs/dbraw/zinc/88/81/80/415888180.db2.gz HCQJOWNWEOMBRG-HNNXBMFYSA-N 1 3 300.443 0.959 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131211128 415926801 /nfs/dbraw/zinc/92/68/01/415926801.db2.gz ISOALVOEMJSQCG-GOEBONIOSA-N 1 3 308.470 0.885 20 0 DCADHO C[N@H+]1CCC[C@H]1CCN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131211128 415926805 /nfs/dbraw/zinc/92/68/05/415926805.db2.gz ISOALVOEMJSQCG-GOEBONIOSA-N 1 3 308.470 0.885 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)N(C)C)CC1=O ZINC000356523278 415941696 /nfs/dbraw/zinc/94/16/96/415941696.db2.gz MIXLRYNBMDOQCG-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)N(C)C)CC1=O ZINC000356523278 415941701 /nfs/dbraw/zinc/94/17/01/415941701.db2.gz MIXLRYNBMDOQCG-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000357223391 416046871 /nfs/dbraw/zinc/04/68/71/416046871.db2.gz JCTKSCSIVUWONN-RYRKJORJSA-N 1 3 322.497 0.908 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H](F)CN1 ZINC000357333623 416064187 /nfs/dbraw/zinc/06/41/87/416064187.db2.gz UTMUOYUNFOLWSX-KGLIPLIRSA-N 1 3 309.385 0.943 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000173694299 416064682 /nfs/dbraw/zinc/06/46/82/416064682.db2.gz JEORYHOKCPZXHI-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCN(C)CCOC)C1 ZINC000337815603 416012183 /nfs/dbraw/zinc/01/21/83/416012183.db2.gz QJXNTRLHGYTAIQ-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCCN(C)CCOC)C1 ZINC000337815603 416012186 /nfs/dbraw/zinc/01/21/86/416012186.db2.gz QJXNTRLHGYTAIQ-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CN1C1CC1 ZINC000164164675 416017566 /nfs/dbraw/zinc/01/75/66/416017566.db2.gz PZDRIMGIDWYCED-KGLIPLIRSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CN1C1CC1 ZINC000164164675 416017568 /nfs/dbraw/zinc/01/75/68/416017568.db2.gz PZDRIMGIDWYCED-KGLIPLIRSA-N 1 3 324.469 0.710 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000170901090 416036692 /nfs/dbraw/zinc/03/66/92/416036692.db2.gz DBRIMTMDQXCNAF-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000170901090 416036693 /nfs/dbraw/zinc/03/66/93/416036693.db2.gz DBRIMTMDQXCNAF-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000170901090 416036697 /nfs/dbraw/zinc/03/66/97/416036697.db2.gz DBRIMTMDQXCNAF-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339303103 416155939 /nfs/dbraw/zinc/15/59/39/416155939.db2.gz MHJKQGSWALIVDL-MCIONIFRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)CC[N@@H+]1C ZINC000348000211 416230075 /nfs/dbraw/zinc/23/00/75/416230075.db2.gz GNMITHDJLYECGI-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)CC[N@H+]1C ZINC000348000211 416230080 /nfs/dbraw/zinc/23/00/80/416230080.db2.gz GNMITHDJLYECGI-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000357950745 416158642 /nfs/dbraw/zinc/15/86/42/416158642.db2.gz AKHINBRFZUPJIB-KBPBESRZSA-N 1 3 300.447 0.735 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000357950745 416158645 /nfs/dbraw/zinc/15/86/45/416158645.db2.gz AKHINBRFZUPJIB-KBPBESRZSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@H](NCCN1C(=O)CNC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666737 416253279 /nfs/dbraw/zinc/25/32/79/416253279.db2.gz PGMGRNULJWHMAM-STQMWFEESA-N 1 3 308.426 0.781 20 0 DCADHO C[C@H](NCCN1C(=O)CNC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666737 416253281 /nfs/dbraw/zinc/25/32/81/416253281.db2.gz PGMGRNULJWHMAM-STQMWFEESA-N 1 3 308.426 0.781 20 0 DCADHO C[C@H]([NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185666737 416253283 /nfs/dbraw/zinc/25/32/83/416253283.db2.gz PGMGRNULJWHMAM-STQMWFEESA-N 1 3 308.426 0.781 20 0 DCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000192126585 416300155 /nfs/dbraw/zinc/30/01/55/416300155.db2.gz MUEXZIFHGZXSEP-ZIAGYGMSSA-N 1 3 307.442 0.789 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCC1)[N@H+](C)C1CC1 ZINC000342109230 416283939 /nfs/dbraw/zinc/28/39/39/416283939.db2.gz VTDBFPBGOXSRBQ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCN1CCCC1)[N@@H+](C)C1CC1 ZINC000342109230 416283943 /nfs/dbraw/zinc/28/39/43/416283943.db2.gz VTDBFPBGOXSRBQ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000352086260 416286195 /nfs/dbraw/zinc/28/61/95/416286195.db2.gz BIOLLODXFUKXFW-WCQYABFASA-N 1 3 300.447 0.178 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358862384 416287243 /nfs/dbraw/zinc/28/72/43/416287243.db2.gz UUGPXLIWSIKOHE-OAHLLOKOSA-N 1 3 311.401 0.953 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358862384 416287248 /nfs/dbraw/zinc/28/72/48/416287248.db2.gz UUGPXLIWSIKOHE-OAHLLOKOSA-N 1 3 311.401 0.953 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000262829275 416337236 /nfs/dbraw/zinc/33/72/36/416337236.db2.gz ZISGOEGGWDXHCN-ZDUSSCGKSA-N 1 3 315.483 0.828 20 0 DCADHO CN(C)CCNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359739789 416355881 /nfs/dbraw/zinc/35/58/81/416355881.db2.gz NUHVMWWMRSJMSN-UHFFFAOYSA-N 1 3 309.414 0.383 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)CN1CCN(C)CC1 ZINC000237552465 416328651 /nfs/dbraw/zinc/32/86/51/416328651.db2.gz YZYJBPUSLFFTNJ-UONOGXRCSA-N 1 3 314.499 0.081 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000416958284 416381271 /nfs/dbraw/zinc/38/12/71/416381271.db2.gz OXNIZOUXFQWDNP-GJZGRUSLSA-N 1 3 313.490 0.541 20 0 DCADHO C[NH2+]CCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418305611 416386188 /nfs/dbraw/zinc/38/61/88/416386188.db2.gz HZFIANZWALPZCY-KRWDZBQOSA-N 1 3 320.437 0.532 20 0 DCADHO COC[C@]1(CNC(=O)N[C@H]2CNCCC2(F)F)CCC[NH2+]1 ZINC000418630258 416388098 /nfs/dbraw/zinc/38/80/98/416388098.db2.gz FHCBMBQBKXZCID-CMPLNLGQSA-N 1 3 306.357 0.051 20 0 DCADHO CC[C@H](C(=O)NCC(C)CNC(=O)[C@@H](CC)N(C)C)N(C)C ZINC000360646298 416400823 /nfs/dbraw/zinc/40/08/23/416400823.db2.gz CNMBGAIBHFZCSP-ZIAGYGMSSA-N 1 3 314.474 0.535 20 0 DCADHO CC[C@H](C(=O)NCC(C)CNC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000360646298 416400824 /nfs/dbraw/zinc/40/08/24/416400824.db2.gz CNMBGAIBHFZCSP-ZIAGYGMSSA-N 1 3 314.474 0.535 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419759734 416408884 /nfs/dbraw/zinc/40/88/84/416408884.db2.gz HHQICSZETQGJSB-INIZCTEOSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[C@H]1[NH3+] ZINC000419769116 416410078 /nfs/dbraw/zinc/41/00/78/416410078.db2.gz DATYDUIAVJHIBF-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000583430133 416463091 /nfs/dbraw/zinc/46/30/91/416463091.db2.gz PXNPBLXCHSVLNW-QLFBSQMISA-N 1 3 310.442 0.348 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nn1 ZINC000423114179 416467576 /nfs/dbraw/zinc/46/75/76/416467576.db2.gz ZYDRFWQYZXKBOI-YNEHKIRRSA-N 1 3 307.398 0.575 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423152215 416471157 /nfs/dbraw/zinc/47/11/57/416471157.db2.gz LFOPUHJNIQSNCD-KGLIPLIRSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@H]1CCCCN1 ZINC000423171753 416472344 /nfs/dbraw/zinc/47/23/44/416472344.db2.gz PWHVHEGJEAXVNB-HZPDHXFCSA-N 1 3 311.470 0.988 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCN1CCCOCC1 ZINC000361328270 416429505 /nfs/dbraw/zinc/42/95/05/416429505.db2.gz JPOHMVNSWYUEQM-ZACQAIPSSA-N 1 3 311.470 0.892 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458245764 416448046 /nfs/dbraw/zinc/44/80/46/416448046.db2.gz VISONAXKLJKCEO-CABCVRRESA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458245764 416448050 /nfs/dbraw/zinc/44/80/50/416448050.db2.gz VISONAXKLJKCEO-CABCVRRESA-N 1 3 314.474 0.863 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423524805 416521511 /nfs/dbraw/zinc/52/15/11/416521511.db2.gz ZZBCEKLAISWDKM-ZNMIVQPWSA-N 1 3 324.469 0.371 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000423716789 416546724 /nfs/dbraw/zinc/54/67/24/416546724.db2.gz YHVNXIAKPONYPO-AWEZNQCLSA-N 1 3 322.457 0.690 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCC[C@H](C)C1 ZINC000423334102 416494746 /nfs/dbraw/zinc/49/47/46/416494746.db2.gz QLXIMWNYZYEZKS-QWHCGFSZSA-N 1 3 308.430 0.477 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCC[C@@H](C)C1 ZINC000423334095 416494766 /nfs/dbraw/zinc/49/47/66/416494766.db2.gz QLXIMWNYZYEZKS-CHWSQXEVSA-N 1 3 308.430 0.477 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CCC(C)CC1 ZINC000423362843 416496058 /nfs/dbraw/zinc/49/60/58/416496058.db2.gz TXMDAGXGUGBHDU-AWEZNQCLSA-N 1 3 322.457 0.867 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000423409708 416505722 /nfs/dbraw/zinc/50/57/22/416505722.db2.gz ZAYBBQTXCQORGP-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423411601 416505751 /nfs/dbraw/zinc/50/57/51/416505751.db2.gz GBISQIMGESNGCS-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423440887 416512418 /nfs/dbraw/zinc/51/24/18/416512418.db2.gz XRHDRQXREBPHKZ-OWCLPIDISA-N 1 3 312.502 0.996 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423516381 416519146 /nfs/dbraw/zinc/51/91/46/416519146.db2.gz TWWAAZMLNPZQGM-CQSZACIVSA-N 1 3 312.458 0.372 20 0 DCADHO CN1CC[C@@H]2OCCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)[C@@H]2C1 ZINC000423934996 416595440 /nfs/dbraw/zinc/59/54/40/416595440.db2.gz XTKRJTFTVHUBHE-XHSDSOJGSA-N 1 3 321.396 0.800 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1c1cccc(F)c1 ZINC000424008630 416605503 /nfs/dbraw/zinc/60/55/03/416605503.db2.gz INROBRNKYPPQBU-OWCLPIDISA-N 1 3 321.396 0.847 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000424037504 416606132 /nfs/dbraw/zinc/60/61/32/416606132.db2.gz UYSBJDJYXVOCII-GOEBONIOSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000539902991 416586572 /nfs/dbraw/zinc/58/65/72/416586572.db2.gz AQEZIGMXXLTFDY-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO CCC(C)(C)N[C@@H](C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000547618806 416679725 /nfs/dbraw/zinc/67/97/25/416679725.db2.gz IEOKYGTYUOGJMT-NSHDSACASA-N 1 3 320.441 1.539 20 0 DCADHO CN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000424143277 416615491 /nfs/dbraw/zinc/61/54/91/416615491.db2.gz FTGFXQZBLLDJHS-CVEARBPZSA-N 1 3 302.422 0.894 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424158167 416620035 /nfs/dbraw/zinc/62/00/35/416620035.db2.gz QQTHLWXFEAMCIJ-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N(C)C1CC1 ZINC000424155642 416620414 /nfs/dbraw/zinc/62/04/14/416620414.db2.gz NGLVHANTPLEIDU-DGCLKSJQSA-N 1 3 306.414 0.415 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424158163 416620679 /nfs/dbraw/zinc/62/06/79/416620679.db2.gz QQTHLWXFEAMCIJ-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H](CN)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424222178 416628816 /nfs/dbraw/zinc/62/88/16/416628816.db2.gz CYTJFRJQWBJMBA-OWCLPIDISA-N 1 3 313.405 0.416 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000542818841 416631404 /nfs/dbraw/zinc/63/14/04/416631404.db2.gz CRJQCSTWXAXUTF-HUUCEWRRSA-N 1 3 314.474 0.936 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424284146 416636070 /nfs/dbraw/zinc/63/60/70/416636070.db2.gz CTQNLMBJHDOXBC-MGPQQGTHSA-N 1 3 311.426 0.790 20 0 DCADHO COC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000514937720 416684019 /nfs/dbraw/zinc/68/40/19/416684019.db2.gz DTOCGKDZTOGPMC-SJORKVTESA-N 1 3 308.422 0.740 20 0 DCADHO COC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000514937720 416684020 /nfs/dbraw/zinc/68/40/20/416684020.db2.gz DTOCGKDZTOGPMC-SJORKVTESA-N 1 3 308.422 0.740 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCCC[C@H]3CCC[NH2+]3)C[C@H]2N)cn1 ZINC000424466952 416650504 /nfs/dbraw/zinc/65/05/04/416650504.db2.gz LZDMEKAHYXLVRQ-QLFBSQMISA-N 1 3 320.441 0.388 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424481809 416654842 /nfs/dbraw/zinc/65/48/42/416654842.db2.gz RYGHPADFFJUNSO-QWHCGFSZSA-N 1 3 308.430 0.374 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000611757092 416665749 /nfs/dbraw/zinc/66/57/49/416665749.db2.gz DSZYWHAOKOXGGK-DZGCQCFKSA-N 1 3 322.453 0.354 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000611757092 416665751 /nfs/dbraw/zinc/66/57/51/416665751.db2.gz DSZYWHAOKOXGGK-DZGCQCFKSA-N 1 3 322.453 0.354 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000545336417 416675080 /nfs/dbraw/zinc/67/50/80/416675080.db2.gz AXMAZSXYHJGBIY-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCN(C)C[C@H](O)Cn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000641223752 416744763 /nfs/dbraw/zinc/74/47/63/416744763.db2.gz QOZFQVBYLRDWGN-HNNXBMFYSA-N 1 3 319.409 0.343 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000425340732 416697908 /nfs/dbraw/zinc/69/79/08/416697908.db2.gz FHEIWQSHHOMCTJ-UHFFFAOYSA-N 1 3 308.474 0.603 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000556939594 416720528 /nfs/dbraw/zinc/72/05/28/416720528.db2.gz HAJSJLQFNUIKII-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057118 416729775 /nfs/dbraw/zinc/72/97/75/416729775.db2.gz FNXQZEQPBFVRKD-QWHCGFSZSA-N 1 3 310.442 0.160 20 0 DCADHO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426968720 416790415 /nfs/dbraw/zinc/79/04/15/416790415.db2.gz OMTJNCRFOBCUHI-MRXNPFEDSA-N 1 3 309.454 0.918 20 0 DCADHO C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426968720 416790439 /nfs/dbraw/zinc/79/04/39/416790439.db2.gz OMTJNCRFOBCUHI-MRXNPFEDSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000631918166 416798901 /nfs/dbraw/zinc/79/89/01/416798901.db2.gz VWCZHOFEKRKXEV-CQSZACIVSA-N 1 3 316.471 0.085 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444264963 416824820 /nfs/dbraw/zinc/82/48/20/416824820.db2.gz KMIXGJHBZZDDSJ-RDJZCZTQSA-N 1 3 308.470 0.520 20 0 DCADHO C[C@]1(CNS(=O)(=O)CCCN2CCCC2)CCC[NH2+]C1 ZINC000631934505 416812987 /nfs/dbraw/zinc/81/29/87/416812987.db2.gz CYUJCXZCAMZOFX-AWEZNQCLSA-N 1 3 303.472 0.781 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)[C@@H]2C1 ZINC000518766551 416871603 /nfs/dbraw/zinc/87/16/03/416871603.db2.gz LPEUJQOHAKQMQP-FVQBIDKESA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000563132546 416874112 /nfs/dbraw/zinc/87/41/12/416874112.db2.gz UBKYAUZUQDHABV-VXGBXAGGSA-N 1 3 308.430 1.397 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000429671064 287340479 /nfs/dbraw/zinc/34/04/79/287340479.db2.gz JENIYGLARWAXRR-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000429671064 287340483 /nfs/dbraw/zinc/34/04/83/287340483.db2.gz JENIYGLARWAXRR-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO COCCN(C)C[C@H](O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000519290107 416897647 /nfs/dbraw/zinc/89/76/47/416897647.db2.gz AWQQQDIBXGFKDW-IRXDYDNUSA-N 1 3 313.486 0.876 20 0 DCADHO Nc1nc(N)nc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623901908 416917064 /nfs/dbraw/zinc/91/70/64/416917064.db2.gz WRNOSBFLUGUHNO-CYBMUJFWSA-N 1 3 313.409 0.443 20 0 DCADHO Nc1nc(N)nc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623901908 416917070 /nfs/dbraw/zinc/91/70/70/416917070.db2.gz WRNOSBFLUGUHNO-CYBMUJFWSA-N 1 3 313.409 0.443 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CC[NH2+]C3CC3)C2)CC1 ZINC000519716160 416931296 /nfs/dbraw/zinc/93/12/96/416931296.db2.gz WSZFAWNVNFLERG-MRXNPFEDSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428980020 416937320 /nfs/dbraw/zinc/93/73/20/416937320.db2.gz MZOYCTAMWLSNAD-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC[NH3+])S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000624382986 417021627 /nfs/dbraw/zinc/02/16/27/417021627.db2.gz VUDDRKQAJAOZIA-UHFFFAOYSA-N 1 3 317.459 0.031 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000642088151 417028003 /nfs/dbraw/zinc/02/80/03/417028003.db2.gz SYLLJFNSRAULIE-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N1CCCCC1 ZINC000642084371 417028318 /nfs/dbraw/zinc/02/83/18/417028318.db2.gz MURZMHVDADEYTO-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)CC[C@H]1[NH3+] ZINC000642114194 417030320 /nfs/dbraw/zinc/03/03/20/417030320.db2.gz RIIAIABVXKYHSQ-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000637092199 416981420 /nfs/dbraw/zinc/98/14/20/416981420.db2.gz YEWXZMXJDGHYPL-CABCVRRESA-N 1 3 310.442 0.369 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000447445107 416999836 /nfs/dbraw/zinc/99/98/36/416999836.db2.gz ZAZBAIAZZKGNHB-ZDUSSCGKSA-N 1 3 301.431 0.356 20 0 DCADHO COC[C@@]1(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)CCC[NH2+]1 ZINC000641800303 417004689 /nfs/dbraw/zinc/00/46/89/417004689.db2.gz DDZNXQYQYQEGPU-ZBFHGGJFSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)NC3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000521986763 417037435 /nfs/dbraw/zinc/03/74/35/417037435.db2.gz UIUWQMNXBMAICM-CHWSQXEVSA-N 1 3 310.442 0.489 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642329750 417044450 /nfs/dbraw/zinc/04/44/50/417044450.db2.gz AJPYTMIDTARSCM-ILXRZTDVSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)NS(=O)(=O)NCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000522056529 417047106 /nfs/dbraw/zinc/04/71/06/417047106.db2.gz VEFBFPWWOQDVQD-UHFFFAOYSA-N 1 3 318.487 0.283 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642439649 417053009 /nfs/dbraw/zinc/05/30/09/417053009.db2.gz MVCHWGVVBJHDKN-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000642439651 417053118 /nfs/dbraw/zinc/05/31/18/417053118.db2.gz MWWCYKBXCVSTDU-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000642439914 417055193 /nfs/dbraw/zinc/05/51/93/417055193.db2.gz ROLRHLPFDHQDCD-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000642713016 417076727 /nfs/dbraw/zinc/07/67/27/417076727.db2.gz IJFKONMWKBQBFI-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000642732204 417084984 /nfs/dbraw/zinc/08/49/84/417084984.db2.gz ZNSVKXAVEBQZME-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642732141 417085560 /nfs/dbraw/zinc/08/55/60/417085560.db2.gz FWOPDZFORQEKDI-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000642732133 417085634 /nfs/dbraw/zinc/08/56/34/417085634.db2.gz CDMDVWRPOKJRIO-LXTVHRRPSA-N 1 3 322.453 0.030 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000642773342 417094194 /nfs/dbraw/zinc/09/41/94/417094194.db2.gz SQNHBWFNMIBVJL-PBHICJAKSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000430629691 287348414 /nfs/dbraw/zinc/34/84/14/287348414.db2.gz QNUMYKZKFOLCSA-XJKSGUPXSA-N 1 3 308.470 0.931 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000430629688 287348495 /nfs/dbraw/zinc/34/84/95/287348495.db2.gz QNUMYKZKFOLCSA-CJNGLKHVSA-N 1 3 308.470 0.931 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642903869 417115638 /nfs/dbraw/zinc/11/56/38/417115638.db2.gz OLGCQFISAWLFLA-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642909674 417118951 /nfs/dbraw/zinc/11/89/51/417118951.db2.gz RWUXREUXSUIVRO-CYBMUJFWSA-N 1 3 300.447 0.276 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000642908913 417119069 /nfs/dbraw/zinc/11/90/69/417119069.db2.gz BJCAXELUYNAHIU-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000642948669 417129262 /nfs/dbraw/zinc/12/92/62/417129262.db2.gz ASUXDZBJKQMYHI-LJISPDSOSA-N 1 3 322.453 0.315 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430715051 287349560 /nfs/dbraw/zinc/34/95/60/287349560.db2.gz QXSWUOKPFBSTGG-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000430714839 287349625 /nfs/dbraw/zinc/34/96/25/287349625.db2.gz PWRSDHQIWYKZJC-INIZCTEOSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH2+]CCCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000568856134 417182962 /nfs/dbraw/zinc/18/29/62/417182962.db2.gz NYAABHSHVVFGJC-AWEZNQCLSA-N 1 3 300.447 0.378 20 0 DCADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000637838399 417203812 /nfs/dbraw/zinc/20/38/12/417203812.db2.gz VWFTYXAWQBWXMT-KRWDZBQOSA-N 1 3 318.465 0.904 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CCO1 ZINC000637864903 417209773 /nfs/dbraw/zinc/20/97/73/417209773.db2.gz AECVMXBJHNOIHY-IMJJTQAJSA-N 1 3 320.437 0.020 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000643498725 417226241 /nfs/dbraw/zinc/22/62/41/417226241.db2.gz JOQHNKSLQKWAAI-GJZGRUSLSA-N 1 3 322.453 0.271 20 0 DCADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000621107804 417277534 /nfs/dbraw/zinc/27/75/34/417277534.db2.gz MTNYSRVAGPRWPX-DLBZAZTESA-N 1 3 320.481 0.615 20 0 DCADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000621107804 417277539 /nfs/dbraw/zinc/27/75/39/417277539.db2.gz MTNYSRVAGPRWPX-DLBZAZTESA-N 1 3 320.481 0.615 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CCCN2CCC([NH3+])CC2)CN1C1CC1 ZINC000433153955 417233727 /nfs/dbraw/zinc/23/37/27/417233727.db2.gz RPPPOAXEQNQQHQ-ZFWWWQNUSA-N 1 3 308.470 0.931 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)NCCN2CCSCC2)CC1 ZINC000433180160 417238955 /nfs/dbraw/zinc/23/89/55/417238955.db2.gz VNSYSQDWZYXIHK-UHFFFAOYSA-N 1 3 314.499 0.355 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000569335672 417240781 /nfs/dbraw/zinc/24/07/81/417240781.db2.gz DNFLGGTXWJESRM-ZBFHGGJFSA-N 1 3 319.453 0.533 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627131448 417243131 /nfs/dbraw/zinc/24/31/31/417243131.db2.gz DXAHAAZPYJKZDV-CQSZACIVSA-N 1 3 310.442 0.681 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643594571 417253768 /nfs/dbraw/zinc/25/37/68/417253768.db2.gz RVCAHUSYNPWUFZ-YOEHRIQHSA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000433377290 417259687 /nfs/dbraw/zinc/25/96/87/417259687.db2.gz QAGVYXWWMKEJJV-CYBMUJFWSA-N 1 3 306.414 0.417 20 0 DCADHO CN(C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C1CCN(C)CC1 ZINC000433385391 417262979 /nfs/dbraw/zinc/26/29/79/417262979.db2.gz MIQKGICDVMGQGY-CQSZACIVSA-N 1 3 305.426 0.974 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633083365 417349045 /nfs/dbraw/zinc/34/90/45/417349045.db2.gz AZZZTWZMFHGUIP-YUELXQCFSA-N 1 3 322.453 0.138 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000638157870 417358342 /nfs/dbraw/zinc/35/83/42/417358342.db2.gz GGHFDHRPCHDDNR-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000638157870 417358350 /nfs/dbraw/zinc/35/83/50/417358350.db2.gz GGHFDHRPCHDDNR-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638172637 417362032 /nfs/dbraw/zinc/36/20/32/417362032.db2.gz XCCFILXJLQBJNS-AEFFLSMTSA-N 1 3 316.449 0.658 20 0 DCADHO C[C@H]1C[C@H](CN2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000414690008 417297420 /nfs/dbraw/zinc/29/74/20/417297420.db2.gz HEKPRDRYHXBEKM-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000638051345 417298978 /nfs/dbraw/zinc/29/89/78/417298978.db2.gz FWVYDCZPKAVJEG-CQSZACIVSA-N 1 3 322.478 0.906 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000414848959 417311108 /nfs/dbraw/zinc/31/11/08/417311108.db2.gz WVEOVQUKGPUMDS-UHFFFAOYSA-N 1 3 322.409 0.421 20 0 DCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638073738 417311001 /nfs/dbraw/zinc/31/10/01/417311001.db2.gz XAQMNMXJWASZHA-IRXDYDNUSA-N 1 3 318.465 0.904 20 0 DCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638073738 417311011 /nfs/dbraw/zinc/31/10/11/417311011.db2.gz XAQMNMXJWASZHA-IRXDYDNUSA-N 1 3 318.465 0.904 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638098165 417325875 /nfs/dbraw/zinc/32/58/75/417325875.db2.gz ZWJKFXTXQSGNLS-UONOGXRCSA-N 1 3 308.426 0.093 20 0 DCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638097847 417326704 /nfs/dbraw/zinc/32/67/04/417326704.db2.gz HQUWXPZNHUSXRT-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)ccc1CN(C)C ZINC000633037954 417330277 /nfs/dbraw/zinc/33/02/77/417330277.db2.gz FGYCGBDNYAYWRE-GXTWGEPZSA-N 1 3 318.421 0.943 20 0 DCADHO C[C@@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@H]1C[NH3+] ZINC000415210961 417344416 /nfs/dbraw/zinc/34/44/16/417344416.db2.gz ISVBAENQDAPACG-OLZOCXBDSA-N 1 3 308.430 1.036 20 0 DCADHO CN1CCN(Cc2ccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)CC1 ZINC000638137292 417347454 /nfs/dbraw/zinc/34/74/54/417347454.db2.gz UCBSOYROAZICLF-JKSUJKDBSA-N 1 3 318.421 0.489 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638234084 417387165 /nfs/dbraw/zinc/38/71/65/417387165.db2.gz XPWWVKFYWMQEKI-TXCZRRACSA-N 1 3 318.465 0.948 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638234076 417387244 /nfs/dbraw/zinc/38/72/44/417387244.db2.gz XPWWVKFYWMQEKI-JHNDHUHGSA-N 1 3 318.465 0.948 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCCN2CCCO)n1 ZINC000570813334 417393694 /nfs/dbraw/zinc/39/36/94/417393694.db2.gz FDCYNJPXTIUTII-AWEZNQCLSA-N 1 3 323.441 0.021 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000638378243 417437925 /nfs/dbraw/zinc/43/79/25/417437925.db2.gz ZKLSFCSVHQJWSW-CQSZACIVSA-N 1 3 305.426 0.849 20 0 DCADHO CO[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000638588826 417496680 /nfs/dbraw/zinc/49/66/80/417496680.db2.gz OYPQNLLUVGJXGD-HLLBOEOZSA-N 1 3 311.470 0.796 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638491775 417474271 /nfs/dbraw/zinc/47/42/71/417474271.db2.gz MPMNPTDIMBAKCR-IRXDYDNUSA-N 1 3 318.465 0.902 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638491775 417474275 /nfs/dbraw/zinc/47/42/75/417474275.db2.gz MPMNPTDIMBAKCR-IRXDYDNUSA-N 1 3 318.465 0.902 20 0 DCADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638527783 417480926 /nfs/dbraw/zinc/48/09/26/417480926.db2.gz YJMNKXKRNYSALX-CQSZACIVSA-N 1 3 306.410 0.915 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000575745761 417546305 /nfs/dbraw/zinc/54/63/05/417546305.db2.gz QQQVOAVMAYMUKS-BMFZPTHFSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000575745761 417546311 /nfs/dbraw/zinc/54/63/11/417546311.db2.gz QQQVOAVMAYMUKS-BMFZPTHFSA-N 1 3 307.438 0.840 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1=O ZINC000638778765 417553896 /nfs/dbraw/zinc/55/38/96/417553896.db2.gz MHFYXILSWRAGQF-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO CN1CCC(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000638785245 417555668 /nfs/dbraw/zinc/55/56/68/417555668.db2.gz SYEJRXBBZDHMAE-INIZCTEOSA-N 1 3 309.454 0.945 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000576155956 417584522 /nfs/dbraw/zinc/58/45/22/417584522.db2.gz PEEJWZKNNJOWMK-OCCSQVGLSA-N 1 3 311.426 0.376 20 0 DCADHO COCCCN1CCC(NC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000576343715 417600167 /nfs/dbraw/zinc/60/01/67/417600167.db2.gz ZANCLQPFJJBLPR-QWHCGFSZSA-N 1 3 300.447 0.912 20 0 DCADHO [NH3+][C@H](CCNC(=O)CNC[C@@H]1CCCO1)Cc1ccccc1 ZINC000638873741 417572456 /nfs/dbraw/zinc/57/24/56/417572456.db2.gz KXJGPSUISWMTOQ-CVEARBPZSA-N 1 3 305.422 0.831 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCCN2CCOCC2(C)C)CC1 ZINC000638882987 417576863 /nfs/dbraw/zinc/57/68/63/417576863.db2.gz FBJKOVYXOLVQCK-UHFFFAOYSA-N 1 3 313.486 0.922 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000644559372 417619442 /nfs/dbraw/zinc/61/94/42/417619442.db2.gz JJLZUWXCSWHVHN-QZTJIDSGSA-N 1 3 320.481 0.315 20 0 DCADHO CN1CCN(C)[C@H](CNC[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644559372 417619450 /nfs/dbraw/zinc/61/94/50/417619450.db2.gz JJLZUWXCSWHVHN-QZTJIDSGSA-N 1 3 320.481 0.315 20 0 DCADHO CN1CCN(C)[C@H](CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644559372 417619452 /nfs/dbraw/zinc/61/94/52/417619452.db2.gz JJLZUWXCSWHVHN-QZTJIDSGSA-N 1 3 320.481 0.315 20 0 DCADHO C[NH+](C)CC[C@@H](NC[C@H](O)CN1CCOCC1)C(C)(C)C ZINC000644569882 417621289 /nfs/dbraw/zinc/62/12/89/417621289.db2.gz KWGRBQWTGTXESD-LSDHHAIUSA-N 1 3 301.475 0.636 20 0 DCADHO CCN1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000644562976 417617767 /nfs/dbraw/zinc/61/77/67/417617767.db2.gz JJWJFQOCFPIRHR-DOTOQJQBSA-N 1 3 312.502 0.305 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CN(C)CCN1C ZINC000644559374 417618478 /nfs/dbraw/zinc/61/84/78/417618478.db2.gz JJLZUWXCSWHVHN-ROUUACIJSA-N 1 3 320.481 0.315 20 0 DCADHO CN1CCN(C)[C@@H](CNC[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644559374 417618484 /nfs/dbraw/zinc/61/84/84/417618484.db2.gz JJLZUWXCSWHVHN-ROUUACIJSA-N 1 3 320.481 0.315 20 0 DCADHO CN1CCN(C)[C@@H](CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644559374 417618492 /nfs/dbraw/zinc/61/84/92/417618492.db2.gz JJLZUWXCSWHVHN-ROUUACIJSA-N 1 3 320.481 0.315 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000580050239 417695266 /nfs/dbraw/zinc/69/52/66/417695266.db2.gz UTOHUSAWAZSSOY-UONOGXRCSA-N 1 3 320.441 0.954 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576951981 417651902 /nfs/dbraw/zinc/65/19/02/417651902.db2.gz VUGCKLUQTOULQY-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000577054442 417659397 /nfs/dbraw/zinc/65/93/97/417659397.db2.gz MXCDKCHVJKXVIE-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000635746347 417754993 /nfs/dbraw/zinc/75/49/93/417754993.db2.gz FBZAHKWFYSYSBV-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000635746347 417754995 /nfs/dbraw/zinc/75/49/95/417754995.db2.gz FBZAHKWFYSYSBV-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO COCCN1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000457987266 417713322 /nfs/dbraw/zinc/71/33/22/417713322.db2.gz PUYAHSKRUFNGDP-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO CCCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@H]1CC[N@H+](C)C1 ZINC000645306066 417728777 /nfs/dbraw/zinc/72/87/77/417728777.db2.gz ITORNCISWVWOBD-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CCCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645306066 417728780 /nfs/dbraw/zinc/72/87/80/417728780.db2.gz ITORNCISWVWOBD-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635704693 417743808 /nfs/dbraw/zinc/74/38/08/417743808.db2.gz XFBPDEPNMNZHCQ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635704693 417743811 /nfs/dbraw/zinc/74/38/11/417743811.db2.gz XFBPDEPNMNZHCQ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635704692 417743944 /nfs/dbraw/zinc/74/39/44/417743944.db2.gz XFBPDEPNMNZHCQ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635704692 417743947 /nfs/dbraw/zinc/74/39/47/417743947.db2.gz XFBPDEPNMNZHCQ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)N(C)C1 ZINC000635910770 417790442 /nfs/dbraw/zinc/79/04/42/417790442.db2.gz DMVSUEVPNDLKPF-CBBWQLFWSA-N 1 3 311.426 0.027 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)N(C)C1 ZINC000635910770 417790450 /nfs/dbraw/zinc/79/04/50/417790450.db2.gz DMVSUEVPNDLKPF-CBBWQLFWSA-N 1 3 311.426 0.027 20 0 DCADHO CN(C)CCn1cc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000645803343 417796558 /nfs/dbraw/zinc/79/65/58/417796558.db2.gz RXENKCHFVISHMU-NSHDSACASA-N 1 3 317.397 0.497 20 0 DCADHO O=C(N1CC[C@@H](N2CC[C@H](O)C2)C1)C12CCC[NH+](CCC1)C2 ZINC000635928547 417800605 /nfs/dbraw/zinc/80/06/05/417800605.db2.gz ITRXKQKHFOFVJI-CABCVRRESA-N 1 3 307.438 0.530 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(C)c(=O)c1 ZINC000640213317 417803333 /nfs/dbraw/zinc/80/33/33/417803333.db2.gz ZAHZWMSZFSLGSV-UHFFFAOYSA-N 1 3 309.414 0.342 20 0 DCADHO O=C(N[C@@H]1CCCN(CCCO)C1)C12CCC[NH+](CCC1)C2 ZINC000635976817 417822307 /nfs/dbraw/zinc/82/23/07/417822307.db2.gz NSXQQZUTZJJKDM-OAHLLOKOSA-N 1 3 309.454 0.825 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646012553 417848735 /nfs/dbraw/zinc/84/87/35/417848735.db2.gz RTKBGYKBYZDPQA-KGLIPLIRSA-N 1 3 320.441 0.634 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C[C@H]1C[NH3+] ZINC000652165840 417854703 /nfs/dbraw/zinc/85/47/03/417854703.db2.gz CBQJEWRPLNPKRD-GUIRCDHDSA-N 1 3 310.442 0.617 20 0 DCADHO Cn1ncc(C(F)(F)F)c1CNCC1(O)CC[NH+](C)CC1 ZINC000657371846 417856298 /nfs/dbraw/zinc/85/62/98/417856298.db2.gz ODCKSCWRVVYHAY-UHFFFAOYSA-N 1 3 306.332 0.985 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cn1 ZINC000662699863 417858087 /nfs/dbraw/zinc/85/80/87/417858087.db2.gz FBEONSVZQRDXST-GFCCVEGCSA-N 1 3 319.331 0.925 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000636088119 417866040 /nfs/dbraw/zinc/86/60/40/417866040.db2.gz FYVYSXHPNOOURM-HUUCEWRRSA-N 1 3 310.486 0.859 20 0 DCADHO CN1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)[C@H](CN)C1 ZINC000652268907 417877211 /nfs/dbraw/zinc/87/72/11/417877211.db2.gz PNHNHRXXAFYZSG-CYBMUJFWSA-N 1 3 309.389 0.069 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000657742598 417900151 /nfs/dbraw/zinc/90/01/51/417900151.db2.gz WFXIMLRXRMGDIY-MRXNPFEDSA-N 1 3 318.469 0.802 20 0 DCADHO CCC[N@H+]1CC[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000657742598 417900153 /nfs/dbraw/zinc/90/01/53/417900153.db2.gz WFXIMLRXRMGDIY-MRXNPFEDSA-N 1 3 318.469 0.802 20 0 DCADHO CCCN1CC[C@@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000657742598 417900157 /nfs/dbraw/zinc/90/01/57/417900157.db2.gz WFXIMLRXRMGDIY-MRXNPFEDSA-N 1 3 318.469 0.802 20 0 DCADHO CCN1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662666434 417842273 /nfs/dbraw/zinc/84/22/73/417842273.db2.gz SHUOOMKECKYCTQ-CQSZACIVSA-N 1 3 320.441 0.807 20 0 DCADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662813366 417915284 /nfs/dbraw/zinc/91/52/84/417915284.db2.gz JKKFJWNFJRRNAV-CHWSQXEVSA-N 1 3 306.414 0.288 20 0 DCADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662813487 417915363 /nfs/dbraw/zinc/91/53/63/417915363.db2.gz JKKFJWNFJRRNAV-OLZOCXBDSA-N 1 3 306.414 0.288 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662846482 417923299 /nfs/dbraw/zinc/92/32/99/417923299.db2.gz PVVSFRAXPXGTQU-HOCLYGCPSA-N 1 3 324.469 0.324 20 0 DCADHO CCN1CCC(NC(=O)Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CC1 ZINC000640868016 417938520 /nfs/dbraw/zinc/93/85/20/417938520.db2.gz WLVIFRZJUYSIPC-CYBMUJFWSA-N 1 3 320.441 0.031 20 0 DCADHO CN(C(=O)c1cnccc1N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901013 417943977 /nfs/dbraw/zinc/94/39/77/417943977.db2.gz RKQPRXPGCNTDSH-CQSZACIVSA-N 1 3 317.437 0.735 20 0 DCADHO CN(C(=O)c1cnccc1N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901013 417943979 /nfs/dbraw/zinc/94/39/79/417943979.db2.gz RKQPRXPGCNTDSH-CQSZACIVSA-N 1 3 317.437 0.735 20 0 DCADHO CN(C(=O)c1cnccc1N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901013 417943984 /nfs/dbraw/zinc/94/39/84/417943984.db2.gz RKQPRXPGCNTDSH-CQSZACIVSA-N 1 3 317.437 0.735 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000652700262 417948178 /nfs/dbraw/zinc/94/81/78/417948178.db2.gz ODWOSCJYHNHNDD-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)CO)CC2)CC1 ZINC000646914583 417952681 /nfs/dbraw/zinc/95/26/81/417952681.db2.gz ZWRSUZVJPRGMSY-CQSZACIVSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662921366 417952685 /nfs/dbraw/zinc/95/26/85/417952685.db2.gz JFJCXAQJMAWBLN-UHFFFAOYSA-N 1 3 300.447 0.228 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000652710607 417953213 /nfs/dbraw/zinc/95/32/13/417953213.db2.gz VYUCNJKHBDCLTL-KGLIPLIRSA-N 1 3 324.469 0.468 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000662943152 417959087 /nfs/dbraw/zinc/95/90/87/417959087.db2.gz PAWWSUZFRVPZHR-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@H]1[NH3+] ZINC000652732922 417959269 /nfs/dbraw/zinc/95/92/69/417959269.db2.gz WPOBEGFGLAACEN-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652732610 417959591 /nfs/dbraw/zinc/95/95/91/417959591.db2.gz OYVSATBKRXFILC-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000662945291 417960535 /nfs/dbraw/zinc/96/05/35/417960535.db2.gz LWJIWTKYRZOJGV-WCQGTBRESA-N 1 3 305.382 0.178 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000662987175 417973326 /nfs/dbraw/zinc/97/33/26/417973326.db2.gz RLDLLVCROTYWIR-ILXRZTDVSA-N 1 3 322.453 0.269 20 0 DCADHO C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653105794 418026119 /nfs/dbraw/zinc/02/61/19/418026119.db2.gz JVSQHJCYTXQCTN-HZPDHXFCSA-N 1 3 304.438 0.656 20 0 DCADHO COCC1(CNCc2nc3c(s2)CNCC3)CC[NH2+]CC1 ZINC000663498776 418026443 /nfs/dbraw/zinc/02/64/43/418026443.db2.gz UCLDIODJEVJXCU-UHFFFAOYSA-N 1 3 310.467 0.895 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000663500234 418026726 /nfs/dbraw/zinc/02/67/26/418026726.db2.gz JDMVYEHQJGABQT-CABCVRRESA-N 1 3 322.453 0.128 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000663500234 418026728 /nfs/dbraw/zinc/02/67/28/418026728.db2.gz JDMVYEHQJGABQT-CABCVRRESA-N 1 3 322.453 0.128 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC(F)(F)CN)C2)CC1 ZINC000653120536 418031032 /nfs/dbraw/zinc/03/10/32/418031032.db2.gz SRFRIUCMZUXNHE-LLVKDONJSA-N 1 3 304.385 0.255 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)CC(F)(F)CN)C2)CC1 ZINC000653120536 418031034 /nfs/dbraw/zinc/03/10/34/418031034.db2.gz SRFRIUCMZUXNHE-LLVKDONJSA-N 1 3 304.385 0.255 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)CC(F)(F)CN)C2)CC1 ZINC000653120536 418031037 /nfs/dbraw/zinc/03/10/37/418031037.db2.gz SRFRIUCMZUXNHE-LLVKDONJSA-N 1 3 304.385 0.255 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653124917 418034012 /nfs/dbraw/zinc/03/40/12/418034012.db2.gz MCEXZEPJIFNXRJ-BMFZPTHFSA-N 1 3 308.470 0.659 20 0 DCADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H](N)CC[NH+](C)C ZINC000653140040 418035904 /nfs/dbraw/zinc/03/59/04/418035904.db2.gz JNRKUEZVLREOFB-MRXNPFEDSA-N 1 3 324.444 0.995 20 0 DCADHO CC1(OCC(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CNC1 ZINC000653260663 418049655 /nfs/dbraw/zinc/04/96/55/418049655.db2.gz JJJQMWYEZVLWPV-MGPQQGTHSA-N 1 3 311.426 0.252 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C2)nn1 ZINC000653163838 418041216 /nfs/dbraw/zinc/04/12/16/418041216.db2.gz WCXBARHQLCBSBS-IACUBPJLSA-N 1 3 306.414 0.418 20 0 DCADHO Cc1n[nH]cc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663689285 418047192 /nfs/dbraw/zinc/04/71/92/418047192.db2.gz JZXMQVDKJGAKSW-LBPRGKRZSA-N 1 3 310.446 0.789 20 0 DCADHO Cc1n[nH]cc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663689285 418047194 /nfs/dbraw/zinc/04/71/94/418047194.db2.gz JZXMQVDKJGAKSW-LBPRGKRZSA-N 1 3 310.446 0.789 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647078679 417982063 /nfs/dbraw/zinc/98/20/63/417982063.db2.gz QZDYRXBMVNWDPG-HZPDHXFCSA-N 1 3 317.433 0.770 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000658539641 417986350 /nfs/dbraw/zinc/98/63/50/417986350.db2.gz FYKKVPPAMWMOID-OAHLLOKOSA-N 1 3 322.453 0.093 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659556072 418119273 /nfs/dbraw/zinc/11/92/73/418119273.db2.gz VRFDGMKBGFFSQB-LSDHHAIUSA-N 1 3 310.442 0.396 20 0 DCADHO C[NH+](C)CCCOC1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000648163174 418110779 /nfs/dbraw/zinc/11/07/79/418110779.db2.gz DADKRXNQTLGEOM-UHFFFAOYSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nncs1 ZINC000664315625 418111444 /nfs/dbraw/zinc/11/14/44/418111444.db2.gz VDYHTCYLMHIELW-JTQLQIEISA-N 1 3 300.432 0.932 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nncs1 ZINC000664315625 418111448 /nfs/dbraw/zinc/11/14/48/418111448.db2.gz VDYHTCYLMHIELW-JTQLQIEISA-N 1 3 300.432 0.932 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCOC1 ZINC000664017409 418077066 /nfs/dbraw/zinc/07/70/66/418077066.db2.gz ZTFBIIHCTWDLPB-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCOC1 ZINC000664017409 418077069 /nfs/dbraw/zinc/07/70/69/418077069.db2.gz ZTFBIIHCTWDLPB-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1O ZINC000647994454 418085081 /nfs/dbraw/zinc/08/50/81/418085081.db2.gz IGVIWPVZSNQXBO-GJZGRUSLSA-N 1 3 310.442 0.177 20 0 DCADHO C[C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)CN1CCN(C)CC1 ZINC000664221919 418100664 /nfs/dbraw/zinc/10/06/64/418100664.db2.gz SSALEMRTQZARSL-CABCVRRESA-N 1 3 313.490 0.509 20 0 DCADHO CN(C)CCC[N@H+](C)CCNc1cc(-n2ccnc2)ncn1 ZINC000664248168 418102838 /nfs/dbraw/zinc/10/28/38/418102838.db2.gz PGAKULPXMWBRTO-UHFFFAOYSA-N 1 3 303.414 0.958 20 0 DCADHO CN(C)CCC[N@@H+](C)CCNc1cc(-n2ccnc2)ncn1 ZINC000664248168 418102840 /nfs/dbraw/zinc/10/28/40/418102840.db2.gz PGAKULPXMWBRTO-UHFFFAOYSA-N 1 3 303.414 0.958 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659616629 418128387 /nfs/dbraw/zinc/12/83/87/418128387.db2.gz VPXYEAYDTSOIEN-UHFFFAOYSA-N 1 3 323.485 0.454 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000654731774 418181099 /nfs/dbraw/zinc/18/10/99/418181099.db2.gz MHZDJWXKFIQWGB-LZWOXQAQSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000654731774 418181102 /nfs/dbraw/zinc/18/11/02/418181102.db2.gz MHZDJWXKFIQWGB-LZWOXQAQSA-N 1 3 310.442 0.369 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000648749805 418151230 /nfs/dbraw/zinc/15/12/30/418151230.db2.gz BRFVGGQCWVAWTH-GASCZTMLSA-N 1 3 317.389 0.331 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000659709856 418156345 /nfs/dbraw/zinc/15/63/45/418156345.db2.gz MGVZRKKKGJCJIK-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](CN)C1 ZINC000659711304 418156935 /nfs/dbraw/zinc/15/69/35/418156935.db2.gz ZERBZTGMCJDLRK-CBBWQLFWSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)[C@H](CN)C1 ZINC000659711304 418156937 /nfs/dbraw/zinc/15/69/37/418156937.db2.gz ZERBZTGMCJDLRK-CBBWQLFWSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000659713137 418158385 /nfs/dbraw/zinc/15/83/85/418158385.db2.gz BWXZOBRVBHVDJZ-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000659714963 418159329 /nfs/dbraw/zinc/15/93/29/418159329.db2.gz OGRYIUSHXCJDRD-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000659714928 418159718 /nfs/dbraw/zinc/15/97/18/418159718.db2.gz OFBNREIRUHCGIJ-UPJWGTAASA-N 1 3 310.442 0.362 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000659719062 418161673 /nfs/dbraw/zinc/16/16/73/418161673.db2.gz FPQPHOCZZYOEAU-UONOGXRCSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@H+](CCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654587765 418164108 /nfs/dbraw/zinc/16/41/08/418164108.db2.gz DENWLPKJPTULET-LSDHHAIUSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@@H+](CCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654587765 418164110 /nfs/dbraw/zinc/16/41/10/418164110.db2.gz DENWLPKJPTULET-LSDHHAIUSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N(C)C ZINC000665043961 418169618 /nfs/dbraw/zinc/16/96/18/418169618.db2.gz NQPHFDCDEJGKCP-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659738621 418170854 /nfs/dbraw/zinc/17/08/54/418170854.db2.gz HFFUVQUVLPRHBJ-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737156 418170922 /nfs/dbraw/zinc/17/09/22/418170922.db2.gz RTSMOWOBGPGRMT-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000659741023 418171771 /nfs/dbraw/zinc/17/17/71/418171771.db2.gz JBJYFIUOWOBDNF-MJBXVCDLSA-N 1 3 312.458 0.275 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000659745103 418174078 /nfs/dbraw/zinc/17/40/78/418174078.db2.gz WHRMWTQWYXPISR-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1[nH]c(=O)[nH]c1C ZINC000654679080 418175535 /nfs/dbraw/zinc/17/55/35/418175535.db2.gz NEIAHDKENVPNLW-ZDUSSCGKSA-N 1 3 323.441 0.912 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1[nH]c(=O)[nH]c1C ZINC000654679080 418175539 /nfs/dbraw/zinc/17/55/39/418175539.db2.gz NEIAHDKENVPNLW-ZDUSSCGKSA-N 1 3 323.441 0.912 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000659753511 418176566 /nfs/dbraw/zinc/17/65/66/418176566.db2.gz PLBNOMOQBURFHT-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350501 418247677 /nfs/dbraw/zinc/24/76/77/418247677.db2.gz IZOOEYQVYDDPHP-STQMWFEESA-N 1 3 318.412 0.373 20 0 DCADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000665325225 418197034 /nfs/dbraw/zinc/19/70/34/418197034.db2.gz LOXULHDJIKIIBM-CQSZACIVSA-N 1 3 309.458 0.866 20 0 DCADHO C[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000655714314 418289048 /nfs/dbraw/zinc/28/90/48/418289048.db2.gz AMABGKFTLDWUKW-AEFFLSMTSA-N 1 3 324.513 0.855 20 0 DCADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655712433 418289369 /nfs/dbraw/zinc/28/93/69/418289369.db2.gz NGBLRDKDSVSBOQ-WMZOPIPTSA-N 1 3 324.513 0.855 20 0 DCADHO CN1CCCN(CCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655714467 418290298 /nfs/dbraw/zinc/29/02/98/418290298.db2.gz FAIMVSSZYLMEGB-GOSISDBHSA-N 1 3 324.513 0.857 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660844552 418293495 /nfs/dbraw/zinc/29/34/95/418293495.db2.gz PEONDEDWRZEOMO-DZGCQCFKSA-N 1 3 312.458 0.879 20 0 DCADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C(F)(F)F ZINC000655925875 418301878 /nfs/dbraw/zinc/30/18/78/418301878.db2.gz GEMFLJXBMUAZPZ-UWVGGRQHSA-N 1 3 312.336 0.022 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000655967044 418308108 /nfs/dbraw/zinc/30/81/08/418308108.db2.gz LBUGUUHBKSKWLG-ZQDZILKHSA-N 1 3 310.442 0.212 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000656022048 418318678 /nfs/dbraw/zinc/31/86/78/418318678.db2.gz ANDKTEFVYMYPKM-CFVMTHIKSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000661163970 418319987 /nfs/dbraw/zinc/31/99/87/418319987.db2.gz ZNNBSGQSTHUJHL-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[NH2+]1 ZINC000656025466 418320804 /nfs/dbraw/zinc/32/08/04/418320804.db2.gz KSQVLRFTFBDQOS-TUVASFSCSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656029228 418321652 /nfs/dbraw/zinc/32/16/52/418321652.db2.gz WYIWXPIVDSTWFL-APIJFGDWSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000660388801 418255497 /nfs/dbraw/zinc/25/54/97/418255497.db2.gz YPGUWLYDSGIZCX-IXDOHACOSA-N 1 3 313.486 0.921 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000660428528 418258129 /nfs/dbraw/zinc/25/81/29/418258129.db2.gz DZYXCNZJQTUDCQ-WBVHZDCISA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000660428528 418258130 /nfs/dbraw/zinc/25/81/30/418258130.db2.gz DZYXCNZJQTUDCQ-WBVHZDCISA-N 1 3 313.486 0.873 20 0 DCADHO O=C(CN[C@H]1C[C@@H](O)C12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000661838032 418363800 /nfs/dbraw/zinc/36/38/00/418363800.db2.gz WVHHRPNCIPMLLE-LSDHHAIUSA-N 1 3 307.438 0.623 20 0 DCADHO O=C(CN[C@H]1C[C@H](O)C12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000661838030 418363817 /nfs/dbraw/zinc/36/38/17/418363817.db2.gz WVHHRPNCIPMLLE-GJZGRUSLSA-N 1 3 307.438 0.623 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)c1cc2c(s1)CCNC2 ZINC000662389868 418406926 /nfs/dbraw/zinc/40/69/26/418406926.db2.gz GKQIAIOLOLUFKA-UHFFFAOYSA-N 1 3 308.451 0.419 20 0 DCADHO [NH3+]CCn1cc(C(=O)N2CCC[C@H]2CN2CCCCC2)nn1 ZINC000662442213 418410550 /nfs/dbraw/zinc/41/05/50/418410550.db2.gz YDXHZNTXXNLBQS-ZDUSSCGKSA-N 1 3 306.414 0.327 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H](CN)C(F)(F)F)CC1 ZINC000662327932 418401800 /nfs/dbraw/zinc/40/18/00/418401800.db2.gz CAGHYIDAJIWFCL-NSHDSACASA-N 1 3 310.364 0.408 20 0 DCADHO CC[C@H](C)NC(=O)CN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414671240 287603427 /nfs/dbraw/zinc/60/34/27/287603427.db2.gz FQRLUDWHXKLCDK-JYJNAYRXSA-N 1 3 310.486 0.907 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001649705335 1173176610 /nfs/dbraw/zinc/17/66/10/1173176610.db2.gz YQEOTCTWDHOJAS-ZNMIVQPWSA-N 1 3 312.458 0.879 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC000189999880 261133585 /nfs/dbraw/zinc/13/35/85/261133585.db2.gz CSGJOJKJQHYUGR-IKGGRYGDSA-N 1 3 324.469 0.971 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cn2cccn2)[C@H](C)C1 ZINC000189999880 261133586 /nfs/dbraw/zinc/13/35/86/261133586.db2.gz CSGJOJKJQHYUGR-IKGGRYGDSA-N 1 3 324.469 0.971 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](N3CCCC3)C2)C[C@@H](C)O1 ZINC000303976916 261173811 /nfs/dbraw/zinc/17/38/11/261173811.db2.gz CKWFPLQGUGKFLF-WCXIOVBPSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](N3CCCC3)C2)C[C@@H](C)O1 ZINC000303976916 261173812 /nfs/dbraw/zinc/17/38/12/261173812.db2.gz CKWFPLQGUGKFLF-WCXIOVBPSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)CCN1C1CC[NH+](C)CC1 ZINC000354946076 261291434 /nfs/dbraw/zinc/29/14/34/261291434.db2.gz AJBRLCZZIJTDOJ-ZBFHGGJFSA-N 1 3 308.470 0.708 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355297427 261327391 /nfs/dbraw/zinc/32/73/91/261327391.db2.gz KQSNUVBKDWUYQL-CQSZACIVSA-N 1 3 314.474 0.489 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362755131 262068092 /nfs/dbraw/zinc/06/80/92/262068092.db2.gz FENCPRRPZVZHHT-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362755131 262068094 /nfs/dbraw/zinc/06/80/94/262068094.db2.gz FENCPRRPZVZHHT-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000370771793 262148521 /nfs/dbraw/zinc/14/85/21/262148521.db2.gz IBOSXXBRGRMAQL-OAHLLOKOSA-N 1 3 301.406 0.694 20 0 DCADHO CCN1CCC(NC(=O)C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000411787141 262175957 /nfs/dbraw/zinc/17/59/57/262175957.db2.gz KLJOKVPDKGKLBO-WMZOPIPTSA-N 1 3 323.481 0.974 20 0 DCADHO CCN1CC[C@H](NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000413826616 262224332 /nfs/dbraw/zinc/22/43/32/262224332.db2.gz ATYAMVXCDKJHRN-GJZGRUSLSA-N 1 3 312.458 0.473 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CNCCO2)c1 ZINC000417078663 262244800 /nfs/dbraw/zinc/24/48/00/262244800.db2.gz ZCPCYGYEENXJFX-OAHLLOKOSA-N 1 3 306.410 0.536 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417303803 262249952 /nfs/dbraw/zinc/24/99/52/262249952.db2.gz YJSRNVYVQVPVTI-DZGCQCFKSA-N 1 3 312.458 0.866 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417303806 262250087 /nfs/dbraw/zinc/25/00/87/262250087.db2.gz YJSRNVYVQVPVTI-ZFWWWQNUSA-N 1 3 312.458 0.866 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417369772 262251141 /nfs/dbraw/zinc/25/11/41/262251141.db2.gz SOPWQXVWNQLHRZ-CQSZACIVSA-N 1 3 306.410 0.788 20 0 DCADHO COCCN(C)CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417442744 262252067 /nfs/dbraw/zinc/25/20/67/262252067.db2.gz VWNNEKREVSLOPM-UHFFFAOYSA-N 1 3 308.426 0.735 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000417438928 262252178 /nfs/dbraw/zinc/25/21/78/262252178.db2.gz KFODWNLWPXAVOE-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NCC(C)(C)[NH3+])CC1 ZINC000417545342 262255395 /nfs/dbraw/zinc/25/53/95/262255395.db2.gz JHSDSOSCNASELP-UHFFFAOYSA-N 1 3 300.447 0.912 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417733888 262259731 /nfs/dbraw/zinc/25/97/31/262259731.db2.gz JFXHDKBQBAGCTK-CYBMUJFWSA-N 1 3 304.438 0.980 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000417747153 262260236 /nfs/dbraw/zinc/26/02/36/262260236.db2.gz HACGBTWQXXFYKT-CABCVRRESA-N 1 3 313.490 0.543 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417752680 262260583 /nfs/dbraw/zinc/26/05/83/262260583.db2.gz MXRYROSBOBNSDU-CQSZACIVSA-N 1 3 300.447 0.771 20 0 DCADHO CC(C)(C(=O)NCCN1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000417820604 262262375 /nfs/dbraw/zinc/26/23/75/262262375.db2.gz YFNKZCQPXRJRSQ-HNNXBMFYSA-N 1 3 304.438 0.734 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000417856564 262263946 /nfs/dbraw/zinc/26/39/46/262263946.db2.gz MRZBPXDOKIXFMD-KGLIPLIRSA-N 1 3 309.458 0.206 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417987441 262267128 /nfs/dbraw/zinc/26/71/28/262267128.db2.gz HTUTUTYWJSKGBS-XJKSGUPXSA-N 1 3 320.437 0.790 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418059689 262268972 /nfs/dbraw/zinc/26/89/72/262268972.db2.gz ABLDMQGGSLSXDM-MRXNPFEDSA-N 1 3 320.437 0.751 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1CCCCN1C1CC1 ZINC000418115644 262270751 /nfs/dbraw/zinc/27/07/51/262270751.db2.gz OVDUXWGTDGXWNX-INIZCTEOSA-N 1 3 323.485 0.598 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000418190061 262272253 /nfs/dbraw/zinc/27/22/53/262272253.db2.gz IUVZBRRMDFANBW-AWEZNQCLSA-N 1 3 321.425 0.655 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)NCC1([NH3+])CCC1 ZINC000418193381 262272276 /nfs/dbraw/zinc/27/22/76/262272276.db2.gz NLRNJYCCSPLXCT-UHFFFAOYSA-N 1 3 321.425 0.703 20 0 DCADHO CSC1(CNC(=O)N[C@@H](C[NH3+])C2CC2)CCN(C)CC1 ZINC000418195434 262272609 /nfs/dbraw/zinc/27/26/09/262272609.db2.gz FYLXHLVFJUFYNL-LBPRGKRZSA-N 1 3 300.472 0.850 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CCCN1CCCO)[C@@H]1CCC[NH2+]C1 ZINC000418314020 262274145 /nfs/dbraw/zinc/27/41/45/262274145.db2.gz RLCCWHGTKKDQPU-RRFJBIMHSA-N 1 3 312.458 0.521 20 0 DCADHO CC[NH2+]CCNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418322413 262274635 /nfs/dbraw/zinc/27/46/35/262274635.db2.gz DVEKHXYFMKRYPI-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000418598664 262284008 /nfs/dbraw/zinc/28/40/08/262284008.db2.gz IZOHILWTTZOAFW-KFWWJZLASA-N 1 3 312.458 0.879 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418609646 262284015 /nfs/dbraw/zinc/28/40/15/262284015.db2.gz CLRRTAGRCRYMET-AWEZNQCLSA-N 1 3 300.447 0.724 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418599750 262284042 /nfs/dbraw/zinc/28/40/42/262284042.db2.gz JVSDYDKVSJSYDE-QLFBSQMISA-N 1 3 312.458 0.519 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000418654913 262285560 /nfs/dbraw/zinc/28/55/60/262285560.db2.gz QAHZUKYBRSVRBO-KKUMJFAQSA-N 1 3 306.410 0.223 20 0 DCADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN1CCCO ZINC000418744581 262287118 /nfs/dbraw/zinc/28/71/18/262287118.db2.gz FHZZYUSZQMWLQX-CABCVRRESA-N 1 3 312.458 0.665 20 0 DCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@H]1CCCN(CCCO)C1 ZINC000418780698 262289518 /nfs/dbraw/zinc/28/95/18/262289518.db2.gz BYAVEXJFTOJLGC-FPCVCCKLSA-N 1 3 324.469 0.521 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418784197 262289785 /nfs/dbraw/zinc/28/97/85/262289785.db2.gz GREPOEJZIPQZMS-KFWWJZLASA-N 1 3 312.458 0.866 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418803447 262291193 /nfs/dbraw/zinc/29/11/93/262291193.db2.gz WHADASAEPOEDKC-GZBFAFLISA-N 1 3 303.410 0.603 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419001236 262302644 /nfs/dbraw/zinc/30/26/44/262302644.db2.gz SGDIRHDOSRYKKQ-HNNXBMFYSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419017679 262305726 /nfs/dbraw/zinc/30/57/26/262305726.db2.gz BFXHTSIQVTZEPS-SYQHCUMBSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419083288 262307893 /nfs/dbraw/zinc/30/78/93/262307893.db2.gz WCWKDJPQQOMHPH-RRFJBIMHSA-N 1 3 324.469 0.624 20 0 DCADHO CN(CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000419104566 262309697 /nfs/dbraw/zinc/30/96/97/262309697.db2.gz MQUDTSRWSJHRED-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419120934 262310460 /nfs/dbraw/zinc/31/04/60/262310460.db2.gz LPRIRBWJUOAWNH-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)CC(C)C ZINC000419128631 262311435 /nfs/dbraw/zinc/31/14/35/262311435.db2.gz WSPLBRAPQICFOJ-UONOGXRCSA-N 1 3 314.474 0.665 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CCC(C)CC1 ZINC000419161547 262315381 /nfs/dbraw/zinc/31/53/81/262315381.db2.gz RYUULJGBALBHBC-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH2+]CC ZINC000419175454 262317322 /nfs/dbraw/zinc/31/73/22/262317322.db2.gz XPXMIAWJTRTTKI-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419222302 262320574 /nfs/dbraw/zinc/32/05/74/262320574.db2.gz BMGRMRUDFRXJBZ-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419282361 262324085 /nfs/dbraw/zinc/32/40/85/262324085.db2.gz IHOHVFMUIXLQCO-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419417949 262331865 /nfs/dbraw/zinc/33/18/65/262331865.db2.gz XVUHTWWFZTZBHB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419422777 262332425 /nfs/dbraw/zinc/33/24/25/262332425.db2.gz MPHHDCXPHOGKLA-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419426796 262333373 /nfs/dbraw/zinc/33/33/73/262333373.db2.gz RAEHWHOVKCWVPM-CQSZACIVSA-N 1 3 322.453 0.403 20 0 DCADHO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000419488028 262334618 /nfs/dbraw/zinc/33/46/18/262334618.db2.gz ZQOUTMOEYZNRQA-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419645621 262344135 /nfs/dbraw/zinc/34/41/35/262344135.db2.gz PKVZCQBFGXCLDO-CYBMUJFWSA-N 1 3 320.437 0.479 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419690499 262345421 /nfs/dbraw/zinc/34/54/21/262345421.db2.gz CMUSJXHCFIHQDW-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419690499 262345423 /nfs/dbraw/zinc/34/54/23/262345423.db2.gz CMUSJXHCFIHQDW-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419694290 262346222 /nfs/dbraw/zinc/34/62/22/262346222.db2.gz KGPVMFDCGIOHAN-AWEZNQCLSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419699033 262347841 /nfs/dbraw/zinc/34/78/41/262347841.db2.gz QOOHTVHRGSQTHZ-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419959064 262354157 /nfs/dbraw/zinc/35/41/57/262354157.db2.gz CYJFNUVPCRPZHL-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420177424 262365928 /nfs/dbraw/zinc/36/59/28/262365928.db2.gz YYJGIZBKHAUYCM-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO COC(=O)[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420368477 262371910 /nfs/dbraw/zinc/37/19/10/262371910.db2.gz WZVCFEUUHJXMRF-JYJNAYRXSA-N 1 3 306.406 0.802 20 0 DCADHO COC(=O)[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420368477 262371911 /nfs/dbraw/zinc/37/19/11/262371911.db2.gz WZVCFEUUHJXMRF-JYJNAYRXSA-N 1 3 306.406 0.802 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422109986 262396167 /nfs/dbraw/zinc/39/61/67/262396167.db2.gz CFEKGTVWPOISTB-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)[C@H]1C[NH3+] ZINC000423722372 262456871 /nfs/dbraw/zinc/45/68/71/262456871.db2.gz FQHLZDUXCGUXMR-OCCSQVGLSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229130 262486244 /nfs/dbraw/zinc/48/62/44/262486244.db2.gz WFTBWIGJPZBPPH-RJZRQDKASA-N 1 3 305.426 0.546 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000358661730 271065194 /nfs/dbraw/zinc/06/51/94/271065194.db2.gz IFSOWWJBMNOEGD-INIZCTEOSA-N 1 3 312.458 0.474 20 0 DCADHO COCCNCCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418441481 271244603 /nfs/dbraw/zinc/24/46/03/271244603.db2.gz IOLFLQDNBAVOBH-UHFFFAOYSA-N 1 3 300.447 0.834 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418717792 271249854 /nfs/dbraw/zinc/24/98/54/271249854.db2.gz ZWSWPSPFZJDFHK-KGLIPLIRSA-N 1 3 300.447 0.650 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N1CCCCC1 ZINC000418845342 271258081 /nfs/dbraw/zinc/25/80/81/271258081.db2.gz VARSHAMSKHOIRH-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000418952213 271262598 /nfs/dbraw/zinc/26/25/98/271262598.db2.gz VJLNPAYEBDNCEG-IHRRRGAJSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419025174 271266310 /nfs/dbraw/zinc/26/63/10/271266310.db2.gz MEZMSPPXGIZKBS-BARDWOONSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419044552 271269549 /nfs/dbraw/zinc/26/95/49/271269549.db2.gz LUKCDTVTNFQOHJ-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419403834 271289009 /nfs/dbraw/zinc/28/90/09/271289009.db2.gz FIXOHWCNZHLQCI-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419540365 271303045 /nfs/dbraw/zinc/30/30/45/271303045.db2.gz HJDORRVTVLYRJA-OLZOCXBDSA-N 1 3 314.474 0.569 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419704451 271323449 /nfs/dbraw/zinc/32/34/49/271323449.db2.gz XZKFNWKHOZDKLP-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1CN ZINC000419814938 271327547 /nfs/dbraw/zinc/32/75/47/271327547.db2.gz HKTSPNUTHVWIJS-KBUPBQIOSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1CN ZINC000419814938 271327551 /nfs/dbraw/zinc/32/75/51/271327551.db2.gz HKTSPNUTHVWIJS-KBUPBQIOSA-N 1 3 322.453 0.315 20 0 DCADHO [NH3+][C@H](CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1)C1CC1 ZINC000419857654 271333624 /nfs/dbraw/zinc/33/36/24/271333624.db2.gz GTJAUOFRSYWZCB-OAHLLOKOSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419933145 271344439 /nfs/dbraw/zinc/34/44/39/271344439.db2.gz FGWCJFXKVAUKNN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000419941144 271346459 /nfs/dbraw/zinc/34/64/59/271346459.db2.gz WGBGDYFFFRUJGP-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000419941145 271346667 /nfs/dbraw/zinc/34/66/67/271346667.db2.gz WGBGDYFFFRUJGP-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419949314 271349610 /nfs/dbraw/zinc/34/96/10/271349610.db2.gz GZMAVPWZBFLOTC-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424133832 271399664 /nfs/dbraw/zinc/39/96/64/271399664.db2.gz MTRPLBNXQZHHMR-ZIAGYGMSSA-N 1 3 322.457 0.909 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)/C=C\C[NH+](C)C)C2)CC1 ZINC000492124686 272116613 /nfs/dbraw/zinc/11/66/13/272116613.db2.gz MGJKQDZQMGJVDT-KJPDOMRESA-N 1 3 308.470 0.731 20 0 DCADHO CN(C)C/C=C\C(=O)NC1(CNC(=O)/C=C\C[NH+](C)C)CCC1 ZINC000492934093 272159913 /nfs/dbraw/zinc/15/99/13/272159913.db2.gz VMIONPDTWPMIFB-VVRUXRSYSA-N 1 3 322.453 0.377 20 0 DCADHO CN(C)C/C=C\C(=O)NCC1(NC(=O)/C=C\C[NH+](C)C)CCC1 ZINC000492934093 272159914 /nfs/dbraw/zinc/15/99/14/272159914.db2.gz VMIONPDTWPMIFB-VVRUXRSYSA-N 1 3 322.453 0.377 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)/C=C/C[NH+](C)C)C2 ZINC000493455871 272190593 /nfs/dbraw/zinc/19/05/93/272190593.db2.gz IAXOXBYHJRNHCS-UYSGTNLQSA-N 1 3 322.453 0.304 20 0 DCADHO Cc1ccn(CC(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)c1 ZINC000519255624 272499017 /nfs/dbraw/zinc/49/90/17/272499017.db2.gz QIQAAPCRDAAIRB-UHFFFAOYSA-N 1 3 308.426 0.109 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333586578 277390976 /nfs/dbraw/zinc/39/09/76/277390976.db2.gz OCWQJLNTWVASFG-HNNXBMFYSA-N 1 3 324.469 0.738 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333586578 277390977 /nfs/dbraw/zinc/39/09/77/277390977.db2.gz OCWQJLNTWVASFG-HNNXBMFYSA-N 1 3 324.469 0.738 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)N2CCCC2)cc1 ZINC000276580310 278844296 /nfs/dbraw/zinc/84/42/96/278844296.db2.gz CLQQVXQZFHCSQJ-BRWVUGGUSA-N 1 3 317.433 0.971 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000339575691 279104976 /nfs/dbraw/zinc/10/49/76/279104976.db2.gz ISSGTNIGDKRUQU-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340476891 279307752 /nfs/dbraw/zinc/30/77/52/279307752.db2.gz CLZRYZJFGVCGFH-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340476891 279307755 /nfs/dbraw/zinc/30/77/55/279307755.db2.gz CLZRYZJFGVCGFH-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000364223982 279362200 /nfs/dbraw/zinc/36/22/00/279362200.db2.gz XMKGWHXHEZPIQP-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO CCN1CCN(c2ccccc2C[NH2+][C@H](CO)[C@@H](C)O)CC1 ZINC000419796541 279375536 /nfs/dbraw/zinc/37/55/36/279375536.db2.gz OYKWEIFYMABOIM-GDBMZVCRSA-N 1 3 307.438 0.660 20 0 DCADHO Cc1ccc([C@H](CNC(=O)N(CC[NH3+])CCO)N(C)C)cc1 ZINC000417317574 280983877 /nfs/dbraw/zinc/98/38/77/280983877.db2.gz WYQHZGSETSDHDZ-HNNXBMFYSA-N 1 3 308.426 0.560 20 0 DCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)N2CC(C)C2)CC1 ZINC000553187946 288290051 /nfs/dbraw/zinc/29/00/51/288290051.db2.gz WHMGXBRMVQYXRA-GDBMZVCRSA-N 1 3 310.486 0.716 20 0 DCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000418867371 281074051 /nfs/dbraw/zinc/07/40/51/281074051.db2.gz OZHZXYIDUJVZQX-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332585851 281196246 /nfs/dbraw/zinc/19/62/46/281196246.db2.gz HQTREXCFPRDZQU-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332585851 281196248 /nfs/dbraw/zinc/19/62/48/281196248.db2.gz HQTREXCFPRDZQU-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000331594843 288307271 /nfs/dbraw/zinc/30/72/71/288307271.db2.gz HBUHOGBEHKVJJO-SNPRPXQTSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000565253456 288839303 /nfs/dbraw/zinc/83/93/03/288839303.db2.gz JMOSNRIORSSGFN-KKUMJFAQSA-N 1 3 324.469 0.467 20 0 DCADHO CN(C)C1(CNC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000333472909 289047889 /nfs/dbraw/zinc/04/78/89/289047889.db2.gz AOGUOKSBUIZLDH-CQSZACIVSA-N 1 3 309.458 0.160 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000343674249 289290548 /nfs/dbraw/zinc/29/05/48/289290548.db2.gz MWJWGUWTGMEMGY-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000343674249 289290550 /nfs/dbraw/zinc/29/05/50/289290550.db2.gz MWJWGUWTGMEMGY-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCCNC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000343987099 297070064 /nfs/dbraw/zinc/07/00/64/297070064.db2.gz RWAYFLKOHSLVEU-OWCLPIDISA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1C[N@H+]([C@@H]2CCCCNC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000343987099 297070065 /nfs/dbraw/zinc/07/00/65/297070065.db2.gz RWAYFLKOHSLVEU-OWCLPIDISA-N 1 3 308.470 0.613 20 0 DCADHO C[NH2+]CCN(C(=O)NCCN1CCN(C)C(C)(C)C1)C(C)C ZINC001650171020 1173495969 /nfs/dbraw/zinc/49/59/69/1173495969.db2.gz VTCSKJLMADOKBN-UHFFFAOYSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333752357 298565468 /nfs/dbraw/zinc/56/54/68/298565468.db2.gz KDTGDWIJWBFYFP-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000352524572 303389499 /nfs/dbraw/zinc/38/94/99/303389499.db2.gz CFOOHZFPHHSJBL-SNVBAGLBSA-N 1 3 324.347 0.968 20 0 DCADHO CC[NH+]1CCN([C@H](C)CNC(=O)CN2CCC(C)(C)C2)CC1 ZINC000583639707 336007386 /nfs/dbraw/zinc/00/73/86/336007386.db2.gz PCJRQPCNNSDHFI-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@H]1CC[NH2+]C1 ZINC000584362631 337101831 /nfs/dbraw/zinc/10/18/31/337101831.db2.gz MOJROYCLNLAXHZ-HOTGVXAUSA-N 1 3 318.421 0.414 20 0 DCADHO [NH3+]CCCn1cc(C(=O)Nc2ccc3c(c2)CNCC3)nn1 ZINC000583198528 337267920 /nfs/dbraw/zinc/26/79/20/337267920.db2.gz HSBOZTJIYVKIRS-UHFFFAOYSA-N 1 3 300.366 0.525 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000576155957 341830023 /nfs/dbraw/zinc/83/00/23/341830023.db2.gz PEEJWZKNNJOWMK-TZMCWYRMSA-N 1 3 311.426 0.376 20 0 DCADHO CO[C@@H]1CN[C@@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000576396850 341844178 /nfs/dbraw/zinc/84/41/78/341844178.db2.gz NHKFVOZGBFNOLL-UONOGXRCSA-N 1 3 311.426 0.125 20 0 DCADHO CN(C)[C@]1(CNC(=O)NCC[C@H]2CCC[NH2+]2)CCSC1 ZINC000577367452 341906132 /nfs/dbraw/zinc/90/61/32/341906132.db2.gz IKFRGOHMXHOWPY-OCCSQVGLSA-N 1 3 300.472 0.865 20 0 DCADHO CN(C)CCn1ccc(C(=O)NCCC2CC[NH+](C)CC2)n1 ZINC000577863121 341944458 /nfs/dbraw/zinc/94/44/58/341944458.db2.gz SBHDHTQEMNVTGZ-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000364154373 522037153 /nfs/dbraw/zinc/03/71/53/522037153.db2.gz FLJHZSKCFDXFFY-ILXRZTDVSA-N 1 3 310.442 0.585 20 0 DCADHO COCCCN(C)CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000284764280 536498580 /nfs/dbraw/zinc/49/85/80/536498580.db2.gz JENYSNZTULVLNG-UHFFFAOYSA-N 1 3 323.441 0.046 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410847440 527824571 /nfs/dbraw/zinc/82/45/71/527824571.db2.gz WOOMXVQTHAOYEB-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410847440 527824572 /nfs/dbraw/zinc/82/45/72/527824572.db2.gz WOOMXVQTHAOYEB-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000080079191 545688425 /nfs/dbraw/zinc/68/84/25/545688425.db2.gz LDKMUFCKBUGTTR-AWEZNQCLSA-N 1 3 324.469 0.881 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000080079191 545688431 /nfs/dbraw/zinc/68/84/31/545688431.db2.gz LDKMUFCKBUGTTR-AWEZNQCLSA-N 1 3 324.469 0.881 20 0 DCADHO CCc1nn(C)cc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000179892467 545899861 /nfs/dbraw/zinc/89/98/61/545899861.db2.gz LRRAZDIDBFWAAN-UHFFFAOYSA-N 1 3 321.469 0.872 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000251578117 545974136 /nfs/dbraw/zinc/97/41/36/545974136.db2.gz NKTVAMREHULWRV-MJBXVCDLSA-N 1 3 303.472 0.717 20 0 DCADHO Cn1cc(C(=O)N2CCNC(C)(C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333360490 546078529 /nfs/dbraw/zinc/07/85/29/546078529.db2.gz CTVPNHQQCOMNRP-LBPRGKRZSA-N 1 3 305.426 0.711 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000333395345 546080088 /nfs/dbraw/zinc/08/00/88/546080088.db2.gz DFKYNCWAIJFLAK-KGLIPLIRSA-N 1 3 320.441 1.193 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000333395345 546080094 /nfs/dbraw/zinc/08/00/94/546080094.db2.gz DFKYNCWAIJFLAK-KGLIPLIRSA-N 1 3 320.441 1.193 20 0 DCADHO CC1(C)NC(=O)N(CCCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000342086427 546118705 /nfs/dbraw/zinc/11/87/05/546118705.db2.gz OIOBEKVHGLDBIH-YNEHKIRRSA-N 1 3 308.426 0.766 20 0 DCADHO C[C@H](CCN1CC[C@](C)(C(N)=O)C1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361571235 546203688 /nfs/dbraw/zinc/20/36/88/546203688.db2.gz IWLDZQHVQZNDJW-UHOFOFEASA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CCN1CC[C@](C)(C(N)=O)C1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361571235 546203690 /nfs/dbraw/zinc/20/36/90/546203690.db2.gz IWLDZQHVQZNDJW-UHOFOFEASA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@@H+]1CC[C@](C)(C(N)=O)C1)N1CC[C@@](C)(C(N)=O)C1 ZINC000361571235 546203693 /nfs/dbraw/zinc/20/36/93/546203693.db2.gz IWLDZQHVQZNDJW-UHOFOFEASA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@H+]1CC[C@](C)(C(N)=O)C1)N1CC[C@@](C)(C(N)=O)C1 ZINC000361571235 546203696 /nfs/dbraw/zinc/20/36/96/546203696.db2.gz IWLDZQHVQZNDJW-UHOFOFEASA-N 1 3 310.442 0.160 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000362187410 546204626 /nfs/dbraw/zinc/20/46/26/546204626.db2.gz PXQGKKBCPGXBBU-FIDHJVLJSA-N 1 3 313.486 0.871 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000362187410 546204628 /nfs/dbraw/zinc/20/46/28/546204628.db2.gz PXQGKKBCPGXBBU-FIDHJVLJSA-N 1 3 313.486 0.871 20 0 DCADHO CN(CCNC(=O)c1cn(CC[NH3+])nn1)Cc1ccccc1 ZINC000386801467 546217479 /nfs/dbraw/zinc/21/74/79/546217479.db2.gz QDQMNNNILSSKMD-UHFFFAOYSA-N 1 3 302.382 0.099 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC000418177621 546245722 /nfs/dbraw/zinc/24/57/22/546245722.db2.gz VUPSVPKRDSJYQL-ZIAGYGMSSA-N 1 3 311.474 0.582 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC2(N(C)C)CCC2)C[C@@H](C)O1 ZINC000445872649 546257249 /nfs/dbraw/zinc/25/72/49/546257249.db2.gz XOYUYUADBLZJGJ-OAGGEKHMSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC2(N(C)C)CCC2)C[C@@H](C)O1 ZINC000445872649 546257254 /nfs/dbraw/zinc/25/72/54/546257254.db2.gz XOYUYUADBLZJGJ-OAGGEKHMSA-N 1 3 313.486 0.873 20 0 DCADHO Cn1cncc1CCC[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662284753 546376059 /nfs/dbraw/zinc/37/60/59/546376059.db2.gz ZNQIWVYFTBNPET-HNNXBMFYSA-N 1 3 303.414 0.740 20 0 DCADHO Cn1cncc1CCC[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662284753 546376061 /nfs/dbraw/zinc/37/60/61/546376061.db2.gz ZNQIWVYFTBNPET-HNNXBMFYSA-N 1 3 303.414 0.740 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000665761053 546395776 /nfs/dbraw/zinc/39/57/76/546395776.db2.gz VUPBZEVFNNOXNT-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000665761053 546395779 /nfs/dbraw/zinc/39/57/79/546395779.db2.gz VUPBZEVFNNOXNT-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2ncnc2C1 ZINC000665760180 546395813 /nfs/dbraw/zinc/39/58/13/546395813.db2.gz BGQCNSXDRIORBD-ZDUSSCGKSA-N 1 3 323.445 0.075 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2ncnc2C1 ZINC000665760180 546395828 /nfs/dbraw/zinc/39/58/28/546395828.db2.gz BGQCNSXDRIORBD-ZDUSSCGKSA-N 1 3 323.445 0.075 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2nncc2C1 ZINC000665764116 546399233 /nfs/dbraw/zinc/39/92/33/546399233.db2.gz VGTTVNNGBXOYST-ZDUSSCGKSA-N 1 3 323.445 0.075 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2nncc2C1 ZINC000665764116 546399236 /nfs/dbraw/zinc/39/92/36/546399236.db2.gz VGTTVNNGBXOYST-ZDUSSCGKSA-N 1 3 323.445 0.075 20 0 DCADHO COc1ncncc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666343898 546454691 /nfs/dbraw/zinc/45/46/91/546454691.db2.gz SAFXGBGZQYWHIQ-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO COc1ncncc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666343898 546454694 /nfs/dbraw/zinc/45/46/94/546454694.db2.gz SAFXGBGZQYWHIQ-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO C[C@H](CNC(=O)C(=O)Nc1cccc(CN)c1)C[NH+]1CCCC1 ZINC000666683025 546496855 /nfs/dbraw/zinc/49/68/55/546496855.db2.gz ZPFVQXSTYXHONA-CYBMUJFWSA-N 1 3 318.421 0.932 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000668362172 546741553 /nfs/dbraw/zinc/74/15/53/546741553.db2.gz RYLMQGPLWVPADE-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000668546165 546781608 /nfs/dbraw/zinc/78/16/08/546781608.db2.gz VBWBZLWJOMRRTJ-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000668546165 546781613 /nfs/dbraw/zinc/78/16/13/546781613.db2.gz VBWBZLWJOMRRTJ-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CCC(CO)(CO)C2)cc1 ZINC000668665838 546814986 /nfs/dbraw/zinc/81/49/86/546814986.db2.gz FAPCRFZRQDVHHK-UHFFFAOYSA-N 1 3 308.422 0.804 20 0 DCADHO CCN(C(=O)C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CCN(CC)C1 ZINC000668777649 546844019 /nfs/dbraw/zinc/84/40/19/546844019.db2.gz SVDNARGPOZCSHX-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CCN(CC)C1 ZINC000668777649 546844021 /nfs/dbraw/zinc/84/40/21/546844021.db2.gz SVDNARGPOZCSHX-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668894542 546874888 /nfs/dbraw/zinc/87/48/88/546874888.db2.gz YUCXDUPEGVDVCD-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668894542 546874892 /nfs/dbraw/zinc/87/48/92/546874892.db2.gz YUCXDUPEGVDVCD-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000669403307 546968169 /nfs/dbraw/zinc/96/81/69/546968169.db2.gz TYRXAPUCAIFBIP-HWOWSKLDSA-N 1 3 323.485 0.596 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000669491252 546978506 /nfs/dbraw/zinc/97/85/06/546978506.db2.gz RVLNJBLMCFRHMU-HZPDHXFCSA-N 1 3 321.469 0.160 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@H]2CCC[NH2+]CC2)CCSC1 ZINC000669514886 546982538 /nfs/dbraw/zinc/98/25/38/546982538.db2.gz OXXUOPKBLCHUFW-JSGCOSHPSA-N 1 3 300.472 0.865 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673522183 547496570 /nfs/dbraw/zinc/49/65/70/547496570.db2.gz DSDZHKMHIYKGLE-IAGOWNOFSA-N 1 3 319.449 0.937 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673522183 547496575 /nfs/dbraw/zinc/49/65/75/547496575.db2.gz DSDZHKMHIYKGLE-IAGOWNOFSA-N 1 3 319.449 0.937 20 0 DCADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000683227237 548459067 /nfs/dbraw/zinc/45/90/67/548459067.db2.gz PLWNJIWTHWXXME-OWCLPIDISA-N 1 3 300.443 0.959 20 0 DCADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000683227237 548459071 /nfs/dbraw/zinc/45/90/71/548459071.db2.gz PLWNJIWTHWXXME-OWCLPIDISA-N 1 3 300.443 0.959 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCCN(C)C2)CCCO1 ZINC000683374866 548475520 /nfs/dbraw/zinc/47/55/20/548475520.db2.gz TXYCJKJRIQZYDV-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCCN(C)C2)CCCO1 ZINC000683374866 548475522 /nfs/dbraw/zinc/47/55/22/548475522.db2.gz TXYCJKJRIQZYDV-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680517 660611771 /nfs/dbraw/zinc/61/17/71/660611771.db2.gz GUBORYLWZMAGKZ-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680517 660611772 /nfs/dbraw/zinc/61/17/72/660611772.db2.gz GUBORYLWZMAGKZ-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905338275 663550232 /nfs/dbraw/zinc/55/02/32/663550232.db2.gz OMGYEYVQGBWNCL-JSGCOSHPSA-N 1 3 303.472 0.588 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)CCN(C)CC1 ZINC000893625039 661048313 /nfs/dbraw/zinc/04/83/13/661048313.db2.gz DPWJMPNEXIYIHW-ZBFHGGJFSA-N 1 3 323.485 0.358 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)CCN(C)CC1 ZINC000893625039 661048315 /nfs/dbraw/zinc/04/83/15/661048315.db2.gz DPWJMPNEXIYIHW-ZBFHGGJFSA-N 1 3 323.485 0.358 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[N@H+](CC2CC2)CC1 ZINC000981647318 661189182 /nfs/dbraw/zinc/18/91/82/661189182.db2.gz YHVRTKHXYOEZTA-PQUAAJSLSA-N 1 3 319.449 0.794 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[N@@H+](CC2CC2)CC1 ZINC000981647318 661189183 /nfs/dbraw/zinc/18/91/83/661189183.db2.gz YHVRTKHXYOEZTA-PQUAAJSLSA-N 1 3 319.449 0.794 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001023086540 657489406 /nfs/dbraw/zinc/48/94/06/657489406.db2.gz OOKNQQTYZJZBHI-RQJABVFESA-N 1 3 303.410 0.726 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001023086540 657489409 /nfs/dbraw/zinc/48/94/09/657489409.db2.gz OOKNQQTYZJZBHI-RQJABVFESA-N 1 3 303.410 0.726 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CCN(C)CC1 ZINC000891600520 657513678 /nfs/dbraw/zinc/51/36/78/657513678.db2.gz BZYOMYCKSATPEM-SOUVJXGZSA-N 1 3 309.458 0.016 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023124642 657536556 /nfs/dbraw/zinc/53/65/56/657536556.db2.gz JWXKVRSPQOXEJZ-TUVASFSCSA-N 1 3 320.441 0.388 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCn3cncn3)C2)CCC1 ZINC000971674738 657546681 /nfs/dbraw/zinc/54/66/81/657546681.db2.gz WFSZARNVMZLQPU-CQSZACIVSA-N 1 3 320.441 0.295 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCn3cncn3)C2)CCC1 ZINC000971674738 657546685 /nfs/dbraw/zinc/54/66/85/657546685.db2.gz WFSZARNVMZLQPU-CQSZACIVSA-N 1 3 320.441 0.295 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000970490605 657570617 /nfs/dbraw/zinc/57/06/17/657570617.db2.gz VOPIIYXUSDLAPD-CQSZACIVSA-N 1 3 303.410 0.206 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CCOC2CCC2)C1 ZINC000970876243 658010736 /nfs/dbraw/zinc/01/07/36/658010736.db2.gz UBUKTOQXJKEBSP-UONOGXRCSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCOC2CCC2)C1 ZINC000970876243 658010744 /nfs/dbraw/zinc/01/07/44/658010744.db2.gz UBUKTOQXJKEBSP-UONOGXRCSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H](NC(=O)c1ccccc1C[NH+](C)C)C1CN(CCO)C1 ZINC000970930269 658089502 /nfs/dbraw/zinc/08/95/02/658089502.db2.gz XMFJCITUAIVLHO-ZDUSSCGKSA-N 1 3 305.422 0.791 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969800862 658155414 /nfs/dbraw/zinc/15/54/14/658155414.db2.gz XPECZOMNLUAMOH-CQSZACIVSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001020586540 658161981 /nfs/dbraw/zinc/16/19/81/658161981.db2.gz QEUDQCQVJXFCSX-QEJZJMRPSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001020586558 658163031 /nfs/dbraw/zinc/16/30/31/658163031.db2.gz QWDYOWUKAGUZGV-RBSFLKMASA-N 1 3 319.453 0.684 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC001020589934 658169215 /nfs/dbraw/zinc/16/92/15/658169215.db2.gz HZISPGCDYOSNJN-XKVFNRALSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001020589934 658169221 /nfs/dbraw/zinc/16/92/21/658169221.db2.gz HZISPGCDYOSNJN-XKVFNRALSA-N 1 3 317.437 0.720 20 0 DCADHO Cn1ccnc(N2CCN(CC3CC[NH+](C)CC3)CC2)c1=O ZINC000892088936 658174820 /nfs/dbraw/zinc/17/48/20/658174820.db2.gz MGYYCMHPPXWGST-UHFFFAOYSA-N 1 3 305.426 0.244 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892094474 658181790 /nfs/dbraw/zinc/18/17/90/658181790.db2.gz TYPCNCKORDVAGG-KCXAZCMYSA-N 1 3 302.422 0.998 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC000969845220 658200023 /nfs/dbraw/zinc/20/00/23/658200023.db2.gz WMLUYGUBPJMSCY-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001022712244 658351750 /nfs/dbraw/zinc/35/17/50/658351750.db2.gz NKNMQSPYHMKUJS-APIJFGDWSA-N 1 3 322.453 0.328 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972733907 658364290 /nfs/dbraw/zinc/36/42/90/658364290.db2.gz UWDMNRHAOUYTCD-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972733907 658364299 /nfs/dbraw/zinc/36/42/99/658364299.db2.gz UWDMNRHAOUYTCD-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)C[NH2+]1 ZINC000892290288 658630349 /nfs/dbraw/zinc/63/03/49/658630349.db2.gz IWGALICPEYRJID-CABCVRRESA-N 1 3 323.485 0.548 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1)C1CC1 ZINC001039134353 658658411 /nfs/dbraw/zinc/65/84/11/658658411.db2.gz PUDUQYVNVUESNM-DLBZAZTESA-N 1 3 323.481 0.879 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1)C1CC1 ZINC001039134353 658658417 /nfs/dbraw/zinc/65/84/17/658658417.db2.gz PUDUQYVNVUESNM-DLBZAZTESA-N 1 3 323.481 0.879 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021094636 658752745 /nfs/dbraw/zinc/75/27/45/658752745.db2.gz WGFIHAJWTQQZCU-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCn3cccn3)C2)CC[N@@H+]1C ZINC000971560290 658801949 /nfs/dbraw/zinc/80/19/49/658801949.db2.gz DKVCIKZGKLMDBG-OWCLPIDISA-N 1 3 319.453 0.756 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCn3cccn3)C2)CC[N@H+]1C ZINC000971560290 658801964 /nfs/dbraw/zinc/80/19/64/658801964.db2.gz DKVCIKZGKLMDBG-OWCLPIDISA-N 1 3 319.453 0.756 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022069610 658828397 /nfs/dbraw/zinc/82/83/97/658828397.db2.gz MHJCAWXGGJMLQJ-VNHYZAJKSA-N 1 3 320.441 0.425 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022069610 658828402 /nfs/dbraw/zinc/82/84/02/658828402.db2.gz MHJCAWXGGJMLQJ-VNHYZAJKSA-N 1 3 320.441 0.425 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC001022105049 658866424 /nfs/dbraw/zinc/86/64/24/658866424.db2.gz MNKNCCMWQJQHTM-GUIRCDHDSA-N 1 3 305.426 0.497 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC001022105049 658866425 /nfs/dbraw/zinc/86/64/25/658866425.db2.gz MNKNCCMWQJQHTM-GUIRCDHDSA-N 1 3 305.426 0.497 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001022120553 658877399 /nfs/dbraw/zinc/87/73/99/658877399.db2.gz NLSHEHBCAQSLPU-XUWVNRHRSA-N 1 3 307.438 0.887 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000891513364 658899310 /nfs/dbraw/zinc/89/93/10/658899310.db2.gz AZFYUESWDOSBJT-SOUVJXGZSA-N 1 3 324.469 0.927 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000891513883 658899648 /nfs/dbraw/zinc/89/96/48/658899648.db2.gz ISPMZPZLLIBSSL-KBUPBQIOSA-N 1 3 310.442 0.666 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892330738 658901341 /nfs/dbraw/zinc/90/13/41/658901341.db2.gz MFUYBZZURCNLSZ-KFWWJZLASA-N 1 3 310.442 0.321 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892330738 658901346 /nfs/dbraw/zinc/90/13/46/658901346.db2.gz MFUYBZZURCNLSZ-KFWWJZLASA-N 1 3 310.442 0.321 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925716225 658975684 /nfs/dbraw/zinc/97/56/84/658975684.db2.gz MHWIEEUIXKQTDE-KBPBESRZSA-N 1 3 305.426 0.899 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCn3cncn3)C2)CCC1 ZINC000999354490 665630735 /nfs/dbraw/zinc/63/07/35/665630735.db2.gz QFHIOLZZTZCTNH-CQSZACIVSA-N 1 3 320.441 0.343 20 0 DCADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000999373514 665634922 /nfs/dbraw/zinc/63/49/22/665634922.db2.gz QOFQSBXYWNXJBW-UKRRQHHQSA-N 1 3 322.453 0.459 20 0 DCADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999373514 665634924 /nfs/dbraw/zinc/63/49/24/665634924.db2.gz QOFQSBXYWNXJBW-UKRRQHHQSA-N 1 3 322.453 0.459 20 0 DCADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CCO)C1 ZINC000999401519 665641163 /nfs/dbraw/zinc/64/11/63/665641163.db2.gz POTUSOCLQGBLGI-SEEARECTSA-N 1 3 315.433 0.770 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999404276 665641462 /nfs/dbraw/zinc/64/14/62/665641462.db2.gz VAMRFNRPHTTZPJ-JEYLPNPQSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001027216980 659088269 /nfs/dbraw/zinc/08/82/69/659088269.db2.gz CRQFWBQTRVPVFZ-CVEARBPZSA-N 1 3 309.454 0.947 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027216875 659088965 /nfs/dbraw/zinc/08/89/65/659088965.db2.gz YOSPZNCXFNJVRJ-ZIAGYGMSSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027216875 659088970 /nfs/dbraw/zinc/08/89/70/659088970.db2.gz YOSPZNCXFNJVRJ-ZIAGYGMSSA-N 1 3 305.426 0.310 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)ncn1 ZINC001027217933 659089532 /nfs/dbraw/zinc/08/95/32/659089532.db2.gz TUQMVLSNXDZZMQ-HNNXBMFYSA-N 1 3 317.437 0.819 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000999407506 665642341 /nfs/dbraw/zinc/64/23/41/665642341.db2.gz VVQMHJVMVOKTMT-NFOMZHRRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000973104532 659103739 /nfs/dbraw/zinc/10/37/39/659103739.db2.gz KCIRNDXEUXJUOM-TUVASFSCSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000973104532 659103740 /nfs/dbraw/zinc/10/37/40/659103740.db2.gz KCIRNDXEUXJUOM-TUVASFSCSA-N 1 3 322.453 0.328 20 0 DCADHO O=C(NCC1CN(CCCF)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856745 665656615 /nfs/dbraw/zinc/65/66/15/665656615.db2.gz HHYDPKGJCJQXFI-UGWHAMFMSA-N 1 3 311.401 0.257 20 0 DCADHO O=C(NCC1CN(CCCF)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856745 665656617 /nfs/dbraw/zinc/65/66/17/665656617.db2.gz HHYDPKGJCJQXFI-UGWHAMFMSA-N 1 3 311.401 0.257 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1F ZINC000892754401 659431752 /nfs/dbraw/zinc/43/17/52/659431752.db2.gz AYVMKPJFMBULSR-YNEHKIRRSA-N 1 3 314.405 0.226 20 0 DCADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892791057 659456068 /nfs/dbraw/zinc/45/60/68/659456068.db2.gz JDQHDJWHLFPZRM-OAHLLOKOSA-N 1 3 306.410 0.318 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCO1 ZINC000892788770 659457590 /nfs/dbraw/zinc/45/75/90/659457590.db2.gz IGSRFJQPVXRMGF-VBNZEHGJSA-N 1 3 318.421 0.459 20 0 DCADHO CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999760393 665680770 /nfs/dbraw/zinc/68/07/70/665680770.db2.gz GKDCWLBFQLJEFA-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)N1CCN(C)CC1 ZINC000328554433 659571844 /nfs/dbraw/zinc/57/18/44/659571844.db2.gz XUIPUVBBUBXCFN-YPLQCARHSA-N 1 3 306.498 0.844 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCO)CC2(C)C)CC[N@@H+]1C ZINC000974600192 659591223 /nfs/dbraw/zinc/59/12/23/659591223.db2.gz OYGUTRGGKWLAED-RRFJBIMHSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCO)CC2(C)C)CC[N@H+]1C ZINC000974600192 659591227 /nfs/dbraw/zinc/59/12/27/659591227.db2.gz OYGUTRGGKWLAED-RRFJBIMHSA-N 1 3 311.470 0.926 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1)C1CC1 ZINC001026886674 659626994 /nfs/dbraw/zinc/62/69/94/659626994.db2.gz DEHNMMKIIZXWLV-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1)C1CC1 ZINC001026887928 659627874 /nfs/dbraw/zinc/62/78/74/659627874.db2.gz YGTGGCLOGAUXAU-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO CO[C@@H](C)CN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977473224 659729109 /nfs/dbraw/zinc/72/91/09/659729109.db2.gz IRKDDRVJVQSGQO-KBPBESRZSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001026043349 659758720 /nfs/dbraw/zinc/75/87/20/659758720.db2.gz LTCDPPJTAQBQJG-LVNYTYFRSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001026043349 659758726 /nfs/dbraw/zinc/75/87/26/659758726.db2.gz LTCDPPJTAQBQJG-LVNYTYFRSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2nccn2C)C1 ZINC001027063521 659759581 /nfs/dbraw/zinc/75/95/81/659759581.db2.gz MYIVLDSPCFBDKR-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2nccn2C)C1 ZINC001027063521 659759583 /nfs/dbraw/zinc/75/95/83/659759583.db2.gz MYIVLDSPCFBDKR-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027064881 659762668 /nfs/dbraw/zinc/76/26/68/659762668.db2.gz MHDBKXFPOPDZFG-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027064881 659762670 /nfs/dbraw/zinc/76/26/70/659762670.db2.gz MHDBKXFPOPDZFG-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3nccn3C)C2)C1 ZINC001027065466 659763417 /nfs/dbraw/zinc/76/34/17/659763417.db2.gz YXRYPEKKNBEHCA-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3nccn3C)C2)C1 ZINC001027065466 659763422 /nfs/dbraw/zinc/76/34/22/659763422.db2.gz YXRYPEKKNBEHCA-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001032734078 665752019 /nfs/dbraw/zinc/75/20/19/665752019.db2.gz WAKANCHWLBUFSE-KKUMJFAQSA-N 1 3 305.422 0.404 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001000189116 665768510 /nfs/dbraw/zinc/76/85/10/665768510.db2.gz CPJNOJUKAKKTLQ-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925000908 661853887 /nfs/dbraw/zinc/85/38/87/661853887.db2.gz WBXZWUKRQOJGPT-MRXNPFEDSA-N 1 3 305.422 0.549 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000925000908 661853889 /nfs/dbraw/zinc/85/38/89/661853889.db2.gz WBXZWUKRQOJGPT-MRXNPFEDSA-N 1 3 305.422 0.549 20 0 DCADHO CN(CCO)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000925008272 661874943 /nfs/dbraw/zinc/87/49/43/661874943.db2.gz YTDIXLZPGNXOKW-UHFFFAOYSA-N 1 3 313.442 0.062 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001029000920 661928904 /nfs/dbraw/zinc/92/89/04/661928904.db2.gz MBARCXQVRGRANB-CQSZACIVSA-N 1 3 305.422 0.792 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001029000920 661928907 /nfs/dbraw/zinc/92/89/07/661928907.db2.gz MBARCXQVRGRANB-CQSZACIVSA-N 1 3 305.422 0.792 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2CCN(C)C)C1 ZINC000909436613 662071296 /nfs/dbraw/zinc/07/12/96/662071296.db2.gz SCKHRFRRFZSPQR-AWEZNQCLSA-N 1 3 307.442 0.999 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2CCN(C)C)C1 ZINC000909436613 662071297 /nfs/dbraw/zinc/07/12/97/662071297.db2.gz SCKHRFRRFZSPQR-AWEZNQCLSA-N 1 3 307.442 0.999 20 0 DCADHO CN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCCN(C)C1 ZINC000895849922 662222666 /nfs/dbraw/zinc/22/26/66/662222666.db2.gz BQPBBJJYLFBMGD-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000895849922 662222667 /nfs/dbraw/zinc/22/26/67/662222667.db2.gz BQPBBJJYLFBMGD-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895849922 662222669 /nfs/dbraw/zinc/22/26/69/662222669.db2.gz BQPBBJJYLFBMGD-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000985328387 662410944 /nfs/dbraw/zinc/41/09/44/662410944.db2.gz SSJDMUKCPMBKAL-INIZCTEOSA-N 1 3 319.453 0.937 20 0 DCADHO Cn1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000985328387 662410946 /nfs/dbraw/zinc/41/09/46/662410946.db2.gz SSJDMUKCPMBKAL-INIZCTEOSA-N 1 3 319.453 0.937 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000985432830 662442512 /nfs/dbraw/zinc/44/25/12/662442512.db2.gz IAGRFLNJZSSZLD-UHFFFAOYSA-N 1 3 324.469 0.659 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852588 662498066 /nfs/dbraw/zinc/49/80/66/662498066.db2.gz FKHMAXUFNIECOO-UONOGXRCSA-N 1 3 306.410 0.769 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852588 662498067 /nfs/dbraw/zinc/49/80/67/662498067.db2.gz FKHMAXUFNIECOO-UONOGXRCSA-N 1 3 306.410 0.769 20 0 DCADHO O=C1[C@H](N2CCC3(CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000431021057 662518860 /nfs/dbraw/zinc/51/88/60/662518860.db2.gz AFEJVXDXMPBJKX-OAHLLOKOSA-N 1 3 307.438 0.842 20 0 DCADHO C[N@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCNC1=O ZINC001029904994 662554343 /nfs/dbraw/zinc/55/43/43/662554343.db2.gz GISUEERHYAVZDA-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCNC1=O ZINC001029904994 662554344 /nfs/dbraw/zinc/55/43/44/662554344.db2.gz GISUEERHYAVZDA-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354594 662583302 /nfs/dbraw/zinc/58/33/02/662583302.db2.gz KMNFGTHYEWICAA-BBRMVZONSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986824174 662622193 /nfs/dbraw/zinc/62/21/93/662622193.db2.gz KWJKIOAREYCURH-BBRMVZONSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534827 662686576 /nfs/dbraw/zinc/68/65/76/662686576.db2.gz WNVFHXJXSXIEIS-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000989826545 662982392 /nfs/dbraw/zinc/98/23/92/662982392.db2.gz PFBGQWAXBDMHQC-IUODEOHRSA-N 1 3 318.421 0.426 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000900497220 663249679 /nfs/dbraw/zinc/24/96/79/663249679.db2.gz OKPVGWAPZGTRQS-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000900889841 663290804 /nfs/dbraw/zinc/29/08/04/663290804.db2.gz KLEIFRIJJYSNOE-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000900889841 663290805 /nfs/dbraw/zinc/29/08/05/663290805.db2.gz KLEIFRIJJYSNOE-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO COCCCN(C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000903426353 663454276 /nfs/dbraw/zinc/45/42/76/663454276.db2.gz HTLGSWUJWPZPLG-HZSPNIEDSA-N 1 3 304.456 0.639 20 0 DCADHO [NH3+]C[C@@H]1CCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903423366 663455117 /nfs/dbraw/zinc/45/51/17/663455117.db2.gz SSKRLFRJRUHVII-ZDUSSCGKSA-N 1 3 317.389 0.580 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000903469934 663455988 /nfs/dbraw/zinc/45/59/88/663455988.db2.gz DIDVQOBWLWMEMY-QWHCGFSZSA-N 1 3 301.456 0.532 20 0 DCADHO CC(C)C(=O)NC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723030 663475072 /nfs/dbraw/zinc/47/50/72/663475072.db2.gz SEGQYYJACLULMU-RDJZCZTQSA-N 1 3 309.454 0.992 20 0 DCADHO CN(C[C@@H]1CCCC[NH2+]C1)C1CCN(S(C)(=O)=O)CC1 ZINC000903733708 663477918 /nfs/dbraw/zinc/47/79/18/663477918.db2.gz PBMBXZMHKNAJIQ-CYBMUJFWSA-N 1 3 303.472 0.732 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903763162 663480368 /nfs/dbraw/zinc/48/03/68/663480368.db2.gz OQLAVBQAKFHKFX-OLZOCXBDSA-N 1 3 310.442 0.123 20 0 DCADHO O=C([C@H]1CCCO1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903875805 663491554 /nfs/dbraw/zinc/49/15/54/663491554.db2.gz CGLWKTFIINOLST-WTXIUTQJSA-N 1 3 307.438 0.840 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H]1CNCc1cccc2c1CC[NH2+]C2 ZINC000903923319 663496209 /nfs/dbraw/zinc/49/62/09/663496209.db2.gz QLRKBEZKULGEQG-OAHLLOKOSA-N 1 3 323.462 0.846 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc3cnccn13)C2 ZINC000903978244 663499128 /nfs/dbraw/zinc/49/91/28/663499128.db2.gz BSGCVMFOJKUEJJ-OZVIIMIRSA-N 1 3 315.377 0.442 20 0 DCADHO Cn1ccc(C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000903987376 663499874 /nfs/dbraw/zinc/49/98/74/663499874.db2.gz DTFGCROXSYIAEJ-CQSZACIVSA-N 1 3 319.453 0.797 20 0 DCADHO CCOC(=O)c1nnc(C2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)[n-]1 ZINC000904346954 663509332 /nfs/dbraw/zinc/50/93/32/663509332.db2.gz AATOMNJKHLUAEF-KLPPZKSPSA-N 1 3 307.398 0.898 20 0 DCADHO CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)n1 ZINC000904346954 663509333 /nfs/dbraw/zinc/50/93/33/663509333.db2.gz AATOMNJKHLUAEF-KLPPZKSPSA-N 1 3 307.398 0.898 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000904486276 663515221 /nfs/dbraw/zinc/51/52/21/663515221.db2.gz RTGWHBWJADHABJ-HNNXBMFYSA-N 1 3 306.414 0.805 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001000995768 665977601 /nfs/dbraw/zinc/97/76/01/665977601.db2.gz ZPEYLTOOOGWCMZ-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906679544 663631089 /nfs/dbraw/zinc/63/10/89/663631089.db2.gz UFLRRHGUMLDFRW-ZDUSSCGKSA-N 1 3 304.394 0.684 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911027532 663968987 /nfs/dbraw/zinc/96/89/87/663968987.db2.gz DAFZQYCHCWZZSL-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911053616 663972587 /nfs/dbraw/zinc/97/25/87/663972587.db2.gz AKOMCDMEWQEKIH-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911054428 663972913 /nfs/dbraw/zinc/97/29/13/663972913.db2.gz HLLRLAAIDWRMOA-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911161475 663995367 /nfs/dbraw/zinc/99/53/67/663995367.db2.gz KOQBJQQHKJQGKD-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911160540 663995481 /nfs/dbraw/zinc/99/54/81/663995481.db2.gz DTISVKKVQGAXCY-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911299435 664022333 /nfs/dbraw/zinc/02/23/33/664022333.db2.gz UWPGHMFYLUGIIA-UHFFFAOYSA-N 1 3 312.458 0.468 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000911301947 664022507 /nfs/dbraw/zinc/02/25/07/664022507.db2.gz FHVICXIFAGJGEJ-DZGCQCFKSA-N 1 3 305.426 0.611 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000911301947 664022510 /nfs/dbraw/zinc/02/25/10/664022510.db2.gz FHVICXIFAGJGEJ-DZGCQCFKSA-N 1 3 305.426 0.611 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCC1(C)C ZINC000911488019 664064166 /nfs/dbraw/zinc/06/41/66/664064166.db2.gz HLQHVJBHGGPHOG-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)[C@@H]1C[NH3+] ZINC000911529253 664068483 /nfs/dbraw/zinc/06/84/83/664068483.db2.gz BHRODJBRBNMAMQ-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NCC3CC[NH2+]CC3)ccc2NC1=O ZINC000911672585 664098768 /nfs/dbraw/zinc/09/87/68/664098768.db2.gz MTTUZYBUNHDKIW-AWEZNQCLSA-N 1 3 316.405 0.628 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC000911774342 664107071 /nfs/dbraw/zinc/10/70/71/664107071.db2.gz KBPZVPPEDYSRKI-FZMZJTMJSA-N 1 3 316.405 0.580 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2c(c1)OCCNC2 ZINC000911774067 664107218 /nfs/dbraw/zinc/10/72/18/664107218.db2.gz GYEBERKHBBNSQV-UHFFFAOYSA-N 1 3 318.421 0.146 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3c(c2)OCCNC3)CCO1 ZINC000911885056 664119478 /nfs/dbraw/zinc/11/94/78/664119478.db2.gz TVZDLTLKIOWHOX-ABAIWWIYSA-N 1 3 305.378 0.357 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000912603077 664191501 /nfs/dbraw/zinc/19/15/01/664191501.db2.gz BVIWLDIDFQESFZ-KRWDZBQOSA-N 1 3 319.449 0.891 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000912603077 664191502 /nfs/dbraw/zinc/19/15/02/664191502.db2.gz BVIWLDIDFQESFZ-KRWDZBQOSA-N 1 3 319.449 0.891 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000912603662 664191900 /nfs/dbraw/zinc/19/19/00/664191900.db2.gz KKULIKFBWLOPIR-OAHLLOKOSA-N 1 3 303.422 0.581 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000912603662 664191901 /nfs/dbraw/zinc/19/19/01/664191901.db2.gz KKULIKFBWLOPIR-OAHLLOKOSA-N 1 3 303.422 0.581 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000730228751 664651121 /nfs/dbraw/zinc/65/11/21/664651121.db2.gz XILUPAAEUXUTIX-CQSZACIVSA-N 1 3 307.442 0.724 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=S)NCCC[NH+](C)C)CC1 ZINC000916003250 665055578 /nfs/dbraw/zinc/05/55/78/665055578.db2.gz VMQKJNZALKFVRA-AWEZNQCLSA-N 1 3 315.531 0.428 20 0 DCADHO CN1CC[C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC000916662458 665081651 /nfs/dbraw/zinc/08/16/51/665081651.db2.gz VMLXQWIGJFEOHJ-CABCVRRESA-N 1 3 315.483 0.686 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000917570294 665137164 /nfs/dbraw/zinc/13/71/64/665137164.db2.gz GVDLINNYVZXFHA-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000917570294 665137165 /nfs/dbraw/zinc/13/71/65/665137165.db2.gz GVDLINNYVZXFHA-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCN1C ZINC000919405055 665214182 /nfs/dbraw/zinc/21/41/82/665214182.db2.gz XOTWSWVNPAWAMP-IJEWVQPXSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040848435 665235639 /nfs/dbraw/zinc/23/56/39/665235639.db2.gz ILFIAGBOHBJWJI-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CCC(C[NH2+][C@@H]3CCNC3=O)CC2)CCC1 ZINC000997824477 665351389 /nfs/dbraw/zinc/35/13/89/665351389.db2.gz SWFISIVDQKHHRC-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000998083514 665397355 /nfs/dbraw/zinc/39/73/55/665397355.db2.gz VOTNIYMTOYPQEH-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016249859 666022110 /nfs/dbraw/zinc/02/21/10/666022110.db2.gz JZVXKZJNAVGIIP-KBPBESRZSA-N 1 3 305.426 0.105 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016249859 666022111 /nfs/dbraw/zinc/02/21/11/666022111.db2.gz JZVXKZJNAVGIIP-KBPBESRZSA-N 1 3 305.426 0.105 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566546 666023737 /nfs/dbraw/zinc/02/37/37/666023737.db2.gz GYKYKCNPINVLSX-DOTOQJQBSA-N 1 3 322.497 0.669 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566546 666023738 /nfs/dbraw/zinc/02/37/38/666023738.db2.gz GYKYKCNPINVLSX-DOTOQJQBSA-N 1 3 322.497 0.669 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002122527 666134607 /nfs/dbraw/zinc/13/46/07/666134607.db2.gz DDNFSCANNVQVJH-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002122527 666134609 /nfs/dbraw/zinc/13/46/09/666134609.db2.gz DDNFSCANNVQVJH-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032053088 666226945 /nfs/dbraw/zinc/22/69/45/666226945.db2.gz NXGAXGFPFZXFSE-ZDUSSCGKSA-N 1 3 305.422 0.791 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003636841 666337357 /nfs/dbraw/zinc/33/73/57/666337357.db2.gz XGVPUGBDDSAWHA-UKRRQHHQSA-N 1 3 320.441 0.056 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003636841 666337359 /nfs/dbraw/zinc/33/73/59/666337359.db2.gz XGVPUGBDDSAWHA-UKRRQHHQSA-N 1 3 320.441 0.056 20 0 DCADHO O=C(NC1CCN(CCO)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001003939527 666413752 /nfs/dbraw/zinc/41/37/52/666413752.db2.gz URAPWPJHWCXQKP-UHFFFAOYSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623367 666557249 /nfs/dbraw/zinc/55/72/49/666557249.db2.gz JKJXJPVMJVBKOY-MXASKKJJSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623367 666557250 /nfs/dbraw/zinc/55/72/50/666557250.db2.gz JKJXJPVMJVBKOY-MXASKKJJSA-N 1 3 323.481 0.878 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CCC(c3nc[nH]n3)CC2)CC1 ZINC000083424752 666690976 /nfs/dbraw/zinc/69/09/76/666690976.db2.gz AOMSJIMFJNJGGU-UHFFFAOYSA-N 1 3 320.441 0.585 20 0 DCADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(CCO)C1 ZINC001033423365 666712323 /nfs/dbraw/zinc/71/23/23/666712323.db2.gz PWSFNHUDWQNDMW-KRWDZBQOSA-N 1 3 319.449 0.929 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)N(C)C ZINC000996313794 666769794 /nfs/dbraw/zinc/76/97/94/666769794.db2.gz FXJXUOHYJNJBRC-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000996475550 666798219 /nfs/dbraw/zinc/79/82/19/666798219.db2.gz LGPCNDYTIPBPJL-CQSZACIVSA-N 1 3 324.469 0.419 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996680922 666859496 /nfs/dbraw/zinc/85/94/96/666859496.db2.gz WNANELPTYCRRDY-MRXNPFEDSA-N 1 3 319.453 0.841 20 0 DCADHO [NH3+]CC1(NC(=O)NC[C@@H]2NCCc3ccccc32)CCOCC1 ZINC000861644138 666953141 /nfs/dbraw/zinc/95/31/41/666953141.db2.gz XBCXOWKHIKAVCQ-HNNXBMFYSA-N 1 3 318.421 0.681 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861708529 666961926 /nfs/dbraw/zinc/96/19/26/666961926.db2.gz AFRIZSFFLIPAOY-CVEARBPZSA-N 1 3 309.454 0.920 20 0 DCADHO CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034318684 666988586 /nfs/dbraw/zinc/98/85/86/666988586.db2.gz DRQNDRRXLLNXHE-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034318684 666988587 /nfs/dbraw/zinc/98/85/87/666988587.db2.gz DRQNDRRXLLNXHE-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cncn3C)CC2)C1 ZINC000997004463 667068150 /nfs/dbraw/zinc/06/81/50/667068150.db2.gz DAQMUCXIRXLUPE-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000997007865 667070256 /nfs/dbraw/zinc/07/02/56/667070256.db2.gz QZVZLKRPAZLBEF-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cnnn3C)CC2)C1 ZINC000997007998 667070266 /nfs/dbraw/zinc/07/02/66/667070266.db2.gz SSTDEINLJPUZOM-ZDUSSCGKSA-N 1 3 320.441 0.238 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CCn2cccn2)CC1)N(C)C ZINC000997014059 667075201 /nfs/dbraw/zinc/07/52/01/667075201.db2.gz FLHSPINAMNXNGP-HNNXBMFYSA-N 1 3 307.442 0.804 20 0 DCADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997043137 667083776 /nfs/dbraw/zinc/08/37/76/667083776.db2.gz UZWJVVUOVOSQDA-CQSZACIVSA-N 1 3 319.409 0.154 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000997036989 667084350 /nfs/dbraw/zinc/08/43/50/667084350.db2.gz OTRPQZFBSDPXSG-UHFFFAOYSA-N 1 3 319.409 0.155 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001034957402 667198042 /nfs/dbraw/zinc/19/80/42/667198042.db2.gz SFLIQFULOVMITD-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001034971305 667201337 /nfs/dbraw/zinc/20/13/37/667201337.db2.gz JLKJXKCAWBEJBO-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001035101202 667238737 /nfs/dbraw/zinc/23/87/37/667238737.db2.gz OTRMCGAMXRDERF-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001035101202 667238738 /nfs/dbraw/zinc/23/87/38/667238738.db2.gz OTRMCGAMXRDERF-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001035102494 667239800 /nfs/dbraw/zinc/23/98/00/667239800.db2.gz KBQQQGWAXIBNHZ-OAHLLOKOSA-N 1 3 317.437 0.597 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997367646 667261599 /nfs/dbraw/zinc/26/15/99/667261599.db2.gz LJNXNZGUWHLKDX-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CCCn1cc(CN[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000865460111 667327043 /nfs/dbraw/zinc/32/70/43/667327043.db2.gz FXFIWYHOZALTHV-AWEZNQCLSA-N 1 3 306.458 0.946 20 0 DCADHO CCCn1cc(CN[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000865460111 667327046 /nfs/dbraw/zinc/32/70/46/667327046.db2.gz FXFIWYHOZALTHV-AWEZNQCLSA-N 1 3 306.458 0.946 20 0 DCADHO O=C1COC[C@]2(C[NH2+]C3CCN(CC4CC4)CC3)COCCN12 ZINC000866557195 667381495 /nfs/dbraw/zinc/38/14/95/667381495.db2.gz ZSXYFLBZDSEQGF-KRWDZBQOSA-N 1 3 323.437 0.078 20 0 DCADHO Cc1ncsc1CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714609 667390033 /nfs/dbraw/zinc/39/00/33/667390033.db2.gz SYYUMWROUVKTCJ-XQQFMLRXSA-N 1 3 322.434 0.861 20 0 DCADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035732701 667405310 /nfs/dbraw/zinc/40/53/10/667405310.db2.gz FSJNCIIKSABJIC-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035732701 667405312 /nfs/dbraw/zinc/40/53/12/667405312.db2.gz FSJNCIIKSABJIC-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035794529 667410520 /nfs/dbraw/zinc/41/05/20/667410520.db2.gz FKWRCAKRERZEFP-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035794529 667410522 /nfs/dbraw/zinc/41/05/22/667410522.db2.gz FKWRCAKRERZEFP-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001036192229 667430671 /nfs/dbraw/zinc/43/06/71/667430671.db2.gz HPLBEYAFTWGORU-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CN)OC)[C@@H](C)C1 ZINC000884220737 667502687 /nfs/dbraw/zinc/50/26/87/667502687.db2.gz AWUHAVPGTXJESU-MJBXVCDLSA-N 1 3 301.431 0.213 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H](CN)OC)[C@@H](C)C1 ZINC000884220737 667502690 /nfs/dbraw/zinc/50/26/90/667502690.db2.gz AWUHAVPGTXJESU-MJBXVCDLSA-N 1 3 301.431 0.213 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000923323387 667507733 /nfs/dbraw/zinc/50/77/33/667507733.db2.gz SXGLJOUHCFDZCU-BPLDGKMQSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000923323387 667507735 /nfs/dbraw/zinc/50/77/35/667507735.db2.gz SXGLJOUHCFDZCU-BPLDGKMQSA-N 1 3 310.442 0.632 20 0 DCADHO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]CC1(N)CCC1 ZINC000923333454 667509746 /nfs/dbraw/zinc/50/97/46/667509746.db2.gz VWVAAXLFRGBORG-LBPRGKRZSA-N 1 3 310.394 0.915 20 0 DCADHO COC(=O)[C@@H](NC(CN)C[NH3+])c1ccccc1Br ZINC000923358748 667513308 /nfs/dbraw/zinc/51/33/08/667513308.db2.gz GXGJYWKSKFTUDA-NSHDSACASA-N 1 3 316.199 0.539 20 0 DCADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923384125 667521750 /nfs/dbraw/zinc/52/17/50/667521750.db2.gz APEXBWONDIYDNJ-MFKMUULPSA-N 1 3 321.343 0.365 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884328492 667525147 /nfs/dbraw/zinc/52/51/47/667525147.db2.gz QZRDWUXSYDIWHY-IMJJTQAJSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884328492 667525150 /nfs/dbraw/zinc/52/51/50/667525150.db2.gz QZRDWUXSYDIWHY-IMJJTQAJSA-N 1 3 305.422 0.987 20 0 DCADHO CN(CCOCC[NH3+])C[C@H](O)COc1ccc(Cl)cc1 ZINC000923404225 667526966 /nfs/dbraw/zinc/52/69/66/667526966.db2.gz VXYJVPXWFNNQEW-ZDUSSCGKSA-N 1 3 302.802 0.987 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN([C@@H]1CCN(C3CCC3)C1=O)CC2 ZINC000923447944 667534623 /nfs/dbraw/zinc/53/46/23/667534623.db2.gz XXZBJGMHBOWNAJ-HUUCEWRRSA-N 1 3 307.438 0.970 20 0 DCADHO COCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000884432158 667544092 /nfs/dbraw/zinc/54/40/92/667544092.db2.gz USFSTTAVPYQJQJ-AWEZNQCLSA-N 1 3 322.409 0.280 20 0 DCADHO COc1ccc(CNC(=O)CN2CC[C@H](CC[NH3+])C2)cc1OC ZINC000923489710 667546420 /nfs/dbraw/zinc/54/64/20/667546420.db2.gz GMBLXXPTDIRDNI-ZDUSSCGKSA-N 1 3 321.421 0.991 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000868303145 667554870 /nfs/dbraw/zinc/55/48/70/667554870.db2.gz WNSQOAOEGPXCJK-BETUJISGSA-N 1 3 304.394 0.540 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884617358 667576491 /nfs/dbraw/zinc/57/64/91/667576491.db2.gz LGCJWEJUPWYLCC-JJRVBVJISA-N 1 3 322.453 0.045 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631205 667579676 /nfs/dbraw/zinc/57/96/76/667579676.db2.gz AWFIFEZFAMGWMV-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000884664001 667584605 /nfs/dbraw/zinc/58/46/05/667584605.db2.gz ADCQQGBSMLJRJO-FRRDWIJNSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884691202 667592917 /nfs/dbraw/zinc/59/29/17/667592917.db2.gz ZQWGXVPSNZHWEA-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCC1(C)C ZINC000884723933 667600622 /nfs/dbraw/zinc/60/06/22/667600622.db2.gz DETIVFSRJAGSIJ-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884787529 667607461 /nfs/dbraw/zinc/60/74/61/667607461.db2.gz VCIWIAFRTOILPM-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884876410 667617864 /nfs/dbraw/zinc/61/78/64/667617864.db2.gz AUCKAVCOKGVDFL-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884926121 667624503 /nfs/dbraw/zinc/62/45/03/667624503.db2.gz OMKVSCZWRRFLJG-KKUMJFAQSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000838301254 667685037 /nfs/dbraw/zinc/68/50/37/667685037.db2.gz AIZWZCXWDNSNRL-XHSDSOJGSA-N 1 3 324.469 0.974 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000838301254 667685039 /nfs/dbraw/zinc/68/50/39/667685039.db2.gz AIZWZCXWDNSNRL-XHSDSOJGSA-N 1 3 324.469 0.974 20 0 DCADHO C[N@H+](CCO)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000886966401 667823492 /nfs/dbraw/zinc/82/34/92/667823492.db2.gz FKLBRMUVDWPKBP-UHFFFAOYSA-N 1 3 308.382 0.214 20 0 DCADHO C[N@@H+](CCO)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000886966401 667823497 /nfs/dbraw/zinc/82/34/97/667823497.db2.gz FKLBRMUVDWPKBP-UHFFFAOYSA-N 1 3 308.382 0.214 20 0 DCADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873248563 668068928 /nfs/dbraw/zinc/06/89/28/668068928.db2.gz GKJPYLYETBTURI-ZIAGYGMSSA-N 1 3 302.378 0.708 20 0 DCADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000873263162 668070797 /nfs/dbraw/zinc/07/07/97/668070797.db2.gz SVAKLBBLWZUQPB-DZGCQCFKSA-N 1 3 311.451 0.854 20 0 DCADHO O=S(=O)(C1CNC1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923703934 668171961 /nfs/dbraw/zinc/17/19/61/668171961.db2.gz SLPJILRVVIWRPU-LBPRGKRZSA-N 1 3 301.456 0.390 20 0 DCADHO CC(=O)N1CCN(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925548908 668328241 /nfs/dbraw/zinc/32/82/41/668328241.db2.gz VCCNSPFRFORPAW-ZWKOTPCHSA-N 1 3 322.497 0.908 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925538262 668328556 /nfs/dbraw/zinc/32/85/56/668328556.db2.gz SNVJDZBOHVHVCY-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO O=C(NCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccn[nH]1 ZINC000925631992 668337682 /nfs/dbraw/zinc/33/76/82/668337682.db2.gz NBVPPDQMNKKJLW-KGLIPLIRSA-N 1 3 305.426 0.897 20 0 DCADHO CC1=NO[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000875954875 668400725 /nfs/dbraw/zinc/40/07/25/668400725.db2.gz OPXIDBQRTPBQNW-KBPBESRZSA-N 1 3 313.446 0.722 20 0 DCADHO CC1=NO[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000875954875 668400728 /nfs/dbraw/zinc/40/07/28/668400728.db2.gz OPXIDBQRTPBQNW-KBPBESRZSA-N 1 3 313.446 0.722 20 0 DCADHO CCO[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C[NH+](C)C ZINC000926835652 668433877 /nfs/dbraw/zinc/43/38/77/668433877.db2.gz CTZDHCHJDXKGME-CABCVRRESA-N 1 3 310.442 0.609 20 0 DCADHO C[C@H]1C[N@H+](CCN2CCOC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000764468379 668448370 /nfs/dbraw/zinc/44/83/70/668448370.db2.gz HBRKWLYPQAQJSX-GJZGRUSLSA-N 1 3 310.442 0.396 20 0 DCADHO C[C@H]1C[N@@H+](CCN2CCOC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000764468379 668448371 /nfs/dbraw/zinc/44/83/71/668448371.db2.gz HBRKWLYPQAQJSX-GJZGRUSLSA-N 1 3 310.442 0.396 20 0 DCADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c(CN)cnn1C ZINC000876735573 668499477 /nfs/dbraw/zinc/49/94/77/668499477.db2.gz FXSZCNGHIKBNQU-UPJWGTAASA-N 1 3 307.442 0.975 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)[C@H](C)C1 ZINC000876763245 668505548 /nfs/dbraw/zinc/50/55/48/668505548.db2.gz DRSYKYRVJQGTIN-ILXRZTDVSA-N 1 3 314.474 0.129 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)[C@H](C)C1 ZINC000876763245 668505552 /nfs/dbraw/zinc/50/55/52/668505552.db2.gz DRSYKYRVJQGTIN-ILXRZTDVSA-N 1 3 314.474 0.129 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000877081954 668559252 /nfs/dbraw/zinc/55/92/52/668559252.db2.gz UUSJPAVQECGETK-INIZCTEOSA-N 1 3 313.417 0.791 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)CC1 ZINC000877251604 668584114 /nfs/dbraw/zinc/58/41/14/668584114.db2.gz RMORJPLOWSXWMQ-LSDHHAIUSA-N 1 3 308.470 0.598 20 0 DCADHO COC1(C(=O)NC[C@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877347790 668606195 /nfs/dbraw/zinc/60/61/95/668606195.db2.gz RFTFLOVVTUUAIH-OAHLLOKOSA-N 1 3 303.406 0.586 20 0 DCADHO O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C[C@]1(O)CCOC1 ZINC000930061209 668950013 /nfs/dbraw/zinc/95/00/13/668950013.db2.gz PCTQMGHCSWFJLI-DZJNRPSUSA-N 1 3 324.465 0.838 20 0 DCADHO O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C[C@]1(O)CCOC1 ZINC000930061209 668950014 /nfs/dbraw/zinc/95/00/14/668950014.db2.gz PCTQMGHCSWFJLI-DZJNRPSUSA-N 1 3 324.465 0.838 20 0 DCADHO C[C@@H]1CN(CCN2CCC([NH+]3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000879594842 669070019 /nfs/dbraw/zinc/07/00/19/669070019.db2.gz SFLPSJBCTSKRIA-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(CCCCCO)CC1 ZINC000931496949 669212967 /nfs/dbraw/zinc/21/29/67/669212967.db2.gz YZQBFPZMORRELL-INIZCTEOSA-N 1 3 301.475 0.468 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(CCCCCO)CC1 ZINC000931496949 669212970 /nfs/dbraw/zinc/21/29/70/669212970.db2.gz YZQBFPZMORRELL-INIZCTEOSA-N 1 3 301.475 0.468 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(CCCCCO)CC1 ZINC000931496950 669213342 /nfs/dbraw/zinc/21/33/42/669213342.db2.gz YZQBFPZMORRELL-MRXNPFEDSA-N 1 3 301.475 0.468 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(CCCCCO)CC1 ZINC000931496950 669213345 /nfs/dbraw/zinc/21/33/45/669213345.db2.gz YZQBFPZMORRELL-MRXNPFEDSA-N 1 3 301.475 0.468 20 0 DCADHO CC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000882506053 669537067 /nfs/dbraw/zinc/53/70/67/669537067.db2.gz RYBBLTJKRRKHJA-HNNXBMFYSA-N 1 3 306.454 0.463 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000883645847 669723547 /nfs/dbraw/zinc/72/35/47/669723547.db2.gz YONUQARGOLSVBI-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947249969 669946964 /nfs/dbraw/zinc/94/69/64/669946964.db2.gz PVWMUHZPXNQBHB-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947249969 669946972 /nfs/dbraw/zinc/94/69/72/669946972.db2.gz PVWMUHZPXNQBHB-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CCCCC1 ZINC000807027604 670342532 /nfs/dbraw/zinc/34/25/32/670342532.db2.gz HZXXOOAICBCATK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000847332384 670537149 /nfs/dbraw/zinc/53/71/49/670537149.db2.gz QOAQIBXAEZUHEH-CBBWQLFWSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2cccnn21 ZINC000855346219 670700894 /nfs/dbraw/zinc/70/08/94/670700894.db2.gz RZBHLGFBHXADPQ-ZDUSSCGKSA-N 1 3 318.425 0.731 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2cccnn21 ZINC000855346219 670700899 /nfs/dbraw/zinc/70/08/99/670700899.db2.gz RZBHLGFBHXADPQ-ZDUSSCGKSA-N 1 3 318.425 0.731 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CO)c1cccnc1 ZINC000849029062 670752568 /nfs/dbraw/zinc/75/25/68/670752568.db2.gz ZWPRMADDTIPWPR-GJZGRUSLSA-N 1 3 305.426 0.756 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(Nc2ccnc(CO)c2)CC1 ZINC000858404560 671001512 /nfs/dbraw/zinc/00/15/12/671001512.db2.gz URVOBHGWGBAAIU-UHFFFAOYSA-N 1 3 306.410 0.929 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000851686868 671014007 /nfs/dbraw/zinc/01/40/07/671014007.db2.gz IOKQMBCTVNPCOY-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc2c1C[NH2+]C2 ZINC000852798226 671161619 /nfs/dbraw/zinc/16/16/19/671161619.db2.gz GWJVIOFGGMRBPV-KGLIPLIRSA-N 1 3 301.390 0.883 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000828956292 671564249 /nfs/dbraw/zinc/56/42/49/671564249.db2.gz LRLJARSZXTUBDY-HNNXBMFYSA-N 1 3 301.406 0.694 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000841790574 671955304 /nfs/dbraw/zinc/95/53/04/671955304.db2.gz GDEFOQLMGKZOGV-KKUMJFAQSA-N 1 3 310.442 0.666 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000841790575 671955654 /nfs/dbraw/zinc/95/56/54/671955654.db2.gz GDEFOQLMGKZOGV-ZNMIVQPWSA-N 1 3 310.442 0.666 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000841846552 671959597 /nfs/dbraw/zinc/95/95/97/671959597.db2.gz PQCPUKCFMFXSPI-OCCSQVGLSA-N 1 3 307.394 0.580 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000842175718 671989049 /nfs/dbraw/zinc/98/90/49/671989049.db2.gz VLFIGNBSWDIDHR-WMLDXEAASA-N 1 3 322.453 0.189 20 0 DCADHO COCCS(=O)(=O)CCCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388950 672090081 /nfs/dbraw/zinc/09/00/81/672090081.db2.gz YZVPUDFKYIUNPW-CABCVRRESA-N 1 3 318.483 0.759 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCO1 ZINC000843385931 672090291 /nfs/dbraw/zinc/09/02/91/672090291.db2.gz AARACFGIWDDOPX-OAGGEKHMSA-N 1 3 309.454 0.945 20 0 DCADHO NC(=O)COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000392126582 685262628 /nfs/dbraw/zinc/26/26/28/685262628.db2.gz XIPZBYLDBYZPQH-OAHLLOKOSA-N 1 3 318.421 0.030 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026571682 693873187 /nfs/dbraw/zinc/87/31/87/693873187.db2.gz HGSPCYLEDRYFEB-NRXISQOPSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954324309 685995312 /nfs/dbraw/zinc/99/53/12/685995312.db2.gz MTRYRJZMFVHCSU-AWEZNQCLSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954324309 685995313 /nfs/dbraw/zinc/99/53/13/685995313.db2.gz MTRYRJZMFVHCSU-AWEZNQCLSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000954407693 686010244 /nfs/dbraw/zinc/01/02/44/686010244.db2.gz KXMJDMTUEHHWNQ-YUELXQCFSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000954407693 686010249 /nfs/dbraw/zinc/01/02/49/686010249.db2.gz KXMJDMTUEHHWNQ-YUELXQCFSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000955338827 686370346 /nfs/dbraw/zinc/37/03/46/686370346.db2.gz MPGJYRPJGVVEAV-KBPBESRZSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955338827 686370353 /nfs/dbraw/zinc/37/03/53/686370353.db2.gz MPGJYRPJGVVEAV-KBPBESRZSA-N 1 3 322.453 0.092 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC000959916296 688259695 /nfs/dbraw/zinc/25/96/95/688259695.db2.gz ZJXUWKMMHJEHMT-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)CC[N@@H+]1C ZINC000959965737 688270068 /nfs/dbraw/zinc/27/00/68/688270068.db2.gz KHIYBSXOWPXWMU-SUJAAXHWSA-N 1 3 317.437 0.270 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)CC[N@H+]1C ZINC000959965737 688270074 /nfs/dbraw/zinc/27/00/74/688270074.db2.gz KHIYBSXOWPXWMU-SUJAAXHWSA-N 1 3 317.437 0.270 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914627 688482149 /nfs/dbraw/zinc/48/21/49/688482149.db2.gz URKKRAKABGVBNF-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914627 688482151 /nfs/dbraw/zinc/48/21/51/688482151.db2.gz URKKRAKABGVBNF-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CC[N@@H+](CCCO)C2)C1 ZINC000961230055 688576334 /nfs/dbraw/zinc/57/63/34/688576334.db2.gz KHUXIHIOJMTQBF-GJZGRUSLSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CC[N@H+](CCCO)C2)C1 ZINC000961230055 688576336 /nfs/dbraw/zinc/57/63/36/688576336.db2.gz KHUXIHIOJMTQBF-GJZGRUSLSA-N 1 3 320.437 0.895 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC000962252070 688861481 /nfs/dbraw/zinc/86/14/81/688861481.db2.gz WKBCJUKKFOGIEC-UHFFFAOYSA-N 1 3 319.453 0.746 20 0 DCADHO O=C(NC[C@H]1CCN1CC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001038925748 694242704 /nfs/dbraw/zinc/24/27/04/694242704.db2.gz KVTQESZMUCPFRQ-HUUCEWRRSA-N 1 3 307.438 0.842 20 0 DCADHO Cc1ncc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000962700911 688968510 /nfs/dbraw/zinc/96/85/10/688968510.db2.gz FRVYULFNXOZHCG-ROKHWSDSSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1ncc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000962700911 688968513 /nfs/dbraw/zinc/96/85/13/688968513.db2.gz FRVYULFNXOZHCG-ROKHWSDSSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965932896 689586068 /nfs/dbraw/zinc/58/60/68/689586068.db2.gz CMMYGJHTJNCDGQ-AWUBJEIQSA-N 1 3 309.454 0.869 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000965933195 689586580 /nfs/dbraw/zinc/58/65/80/689586580.db2.gz RXJCTDXYFPKZOF-XJIRZWNVSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000968644793 690353244 /nfs/dbraw/zinc/35/32/44/690353244.db2.gz HBHMBBNNJHPLRG-GDBMZVCRSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000968644793 690353246 /nfs/dbraw/zinc/35/32/46/690353246.db2.gz HBHMBBNNJHPLRG-GDBMZVCRSA-N 1 3 319.453 0.983 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1)C1CC1 ZINC000968912678 690423303 /nfs/dbraw/zinc/42/33/03/690423303.db2.gz OWIPAWKVXPIMDU-CABCVRRESA-N 1 3 305.426 0.414 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000968967463 690438025 /nfs/dbraw/zinc/43/80/25/690438025.db2.gz PVCSZNUNMOYDKL-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000968967463 690438028 /nfs/dbraw/zinc/43/80/28/690438028.db2.gz PVCSZNUNMOYDKL-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)N(C)C ZINC001011263944 691497410 /nfs/dbraw/zinc/49/74/10/691497410.db2.gz SVRNMTNHYQKPRX-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO COC[C@H](C)N1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457062 692023857 /nfs/dbraw/zinc/02/38/57/692023857.db2.gz FZODGILMRMSQFB-KBPBESRZSA-N 1 3 323.441 0.284 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015323903 692264687 /nfs/dbraw/zinc/26/46/87/692264687.db2.gz LWZIVBUZCUIPDD-GYMHETDLSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015323903 692264689 /nfs/dbraw/zinc/26/46/89/692264689.db2.gz LWZIVBUZCUIPDD-GYMHETDLSA-N 1 3 307.438 0.696 20 0 DCADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2)C1CCC1 ZINC001040241405 694520246 /nfs/dbraw/zinc/52/02/46/694520246.db2.gz NVPCLPRZTHGJRY-KRWDZBQOSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2)C1CCC1 ZINC001040241405 694520249 /nfs/dbraw/zinc/52/02/49/694520249.db2.gz NVPCLPRZTHGJRY-KRWDZBQOSA-N 1 3 309.454 0.778 20 0 DCADHO CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741482 692760776 /nfs/dbraw/zinc/76/07/76/692760776.db2.gz XPJRBMLQJVMVBS-QRHJNKNDSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CCCO)CC2 ZINC001016830833 692781649 /nfs/dbraw/zinc/78/16/49/692781649.db2.gz WOQDLKJWNMXCOL-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2cnn(C)c2)C1)[NH+](C)C ZINC001019343146 693439464 /nfs/dbraw/zinc/43/94/64/693439464.db2.gz ZOWBWVQTVNCVEW-LSDHHAIUSA-N 1 3 307.442 0.697 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001019380950 693454785 /nfs/dbraw/zinc/45/47/85/693454785.db2.gz SPHBRLCNUAKCAZ-BBRMVZONSA-N 1 3 317.437 0.960 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001019380950 693454788 /nfs/dbraw/zinc/45/47/88/693454788.db2.gz SPHBRLCNUAKCAZ-BBRMVZONSA-N 1 3 317.437 0.960 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001019394620 693461220 /nfs/dbraw/zinc/46/12/20/693461220.db2.gz KZVVKRMBPKFJNY-ZFWWWQNUSA-N 1 3 307.442 0.493 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)O)C2 ZINC001073462703 694729251 /nfs/dbraw/zinc/72/92/51/694729251.db2.gz XFJHEMPAAVAHPY-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001073462703 694729252 /nfs/dbraw/zinc/72/92/52/694729252.db2.gz XFJHEMPAAVAHPY-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001074755656 694920646 /nfs/dbraw/zinc/92/06/46/694920646.db2.gz QKVWTFBXFHSQEM-SOJNYCQTSA-N 1 3 319.449 0.839 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076586859 695030271 /nfs/dbraw/zinc/03/02/71/695030271.db2.gz MDKAGDYVFGGRJS-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076586859 695030272 /nfs/dbraw/zinc/03/02/72/695030272.db2.gz MDKAGDYVFGGRJS-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001076627645 695033319 /nfs/dbraw/zinc/03/33/19/695033319.db2.gz VBVIEGZHYLADJF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002866 695122932 /nfs/dbraw/zinc/12/29/32/695122932.db2.gz KAZVKTDGNRZRNV-BZUAXINKSA-N 1 3 307.438 0.290 20 0 DCADHO CC1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC001571568990 1162814454 /nfs/dbraw/zinc/81/44/54/1162814454.db2.gz VAXFFPSOYDHJLJ-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCF ZINC001571597765 1162841237 /nfs/dbraw/zinc/84/12/37/1162841237.db2.gz TUPCEHZFJOWALT-KGLIPLIRSA-N 1 3 303.422 0.629 20 0 DCADHO CN(CC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)CN(C)C1CCC1 ZINC001691347811 1157648673 /nfs/dbraw/zinc/64/86/73/1157648673.db2.gz LFACFEISKISQHQ-AWEZNQCLSA-N 1 3 320.441 0.298 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001691476704 1157789968 /nfs/dbraw/zinc/78/99/68/1157789968.db2.gz PBTFZCBOVZZMTO-ZIAGYGMSSA-N 1 3 320.441 0.155 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]1CNCCN1C)[NH+]1CCC(C)CC1 ZINC001648966348 1158191903 /nfs/dbraw/zinc/19/19/03/1158191903.db2.gz YYZWSDAVCGSGSE-CVEARBPZSA-N 1 3 310.486 0.763 20 0 DCADHO CN(C(=O)C[C@H](N)C(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001649031420 1158500339 /nfs/dbraw/zinc/50/03/39/1158500339.db2.gz BVAWIUMKEGLKTM-STQMWFEESA-N 1 3 318.412 0.596 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001649048094 1158623744 /nfs/dbraw/zinc/62/37/44/1158623744.db2.gz LWIRGSPWQPQFKY-HUUCEWRRSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001687482490 1158647419 /nfs/dbraw/zinc/64/74/19/1158647419.db2.gz VGECWSALGPFDTE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001687482490 1158647421 /nfs/dbraw/zinc/64/74/21/1158647421.db2.gz VGECWSALGPFDTE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001445956879 1159323917 /nfs/dbraw/zinc/32/39/17/1159323917.db2.gz PSYCRGAOAKFQKQ-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO COCC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001446774534 1159529745 /nfs/dbraw/zinc/52/97/45/1159529745.db2.gz JRILQQHYIWACJD-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO COCC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001446774534 1159529747 /nfs/dbraw/zinc/52/97/47/1159529747.db2.gz JRILQQHYIWACJD-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001540430668 1159799350 /nfs/dbraw/zinc/79/93/50/1159799350.db2.gz ULTADXAZLIOUPH-CVEARBPZSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001567560847 1160420841 /nfs/dbraw/zinc/42/08/41/1160420841.db2.gz SKHFEDQKKCULDZ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001567560847 1160420842 /nfs/dbraw/zinc/42/08/42/1160420842.db2.gz SKHFEDQKKCULDZ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001568698836 1160740826 /nfs/dbraw/zinc/74/08/26/1160740826.db2.gz IYGRMCLDOUSMLW-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001568862234 1160825161 /nfs/dbraw/zinc/82/51/61/1160825161.db2.gz FVBQWFLQIKSVDI-LTIZXKLPSA-N 1 3 322.453 0.529 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001568862234 1160825167 /nfs/dbraw/zinc/82/51/67/1160825167.db2.gz FVBQWFLQIKSVDI-LTIZXKLPSA-N 1 3 322.453 0.529 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001568906833 1160856637 /nfs/dbraw/zinc/85/66/37/1160856637.db2.gz YIQNEOSVKQLHGF-LSFZBXBFSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001568906833 1160856643 /nfs/dbraw/zinc/85/66/43/1160856643.db2.gz YIQNEOSVKQLHGF-LSFZBXBFSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001568948320 1160889865 /nfs/dbraw/zinc/88/98/65/1160889865.db2.gz OBQPYBYVKKLZPL-IBUXWKBASA-N 1 3 322.453 0.244 20 0 DCADHO Cc1cnc(CNCCCN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001569258430 1160997189 /nfs/dbraw/zinc/99/71/89/1160997189.db2.gz VDHSQSVWADAPII-UHFFFAOYSA-N 1 3 317.437 0.819 20 0 DCADHO CC(C)N1CC[C@@H](N(C)S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC001573525329 1163457293 /nfs/dbraw/zinc/45/72/93/1163457293.db2.gz VPVJUJFSJPGWPL-UONOGXRCSA-N 1 3 303.472 0.873 20 0 DCADHO CC1(C)OC[C@@H](CC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)O1 ZINC001576495766 1164366524 /nfs/dbraw/zinc/36/65/24/1164366524.db2.gz UOYHPZCDNQBGJI-UONOGXRCSA-N 1 3 309.414 0.915 20 0 DCADHO CC1(C)OC[C@@H](CC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)O1 ZINC001576495766 1164366526 /nfs/dbraw/zinc/36/65/26/1164366526.db2.gz UOYHPZCDNQBGJI-UONOGXRCSA-N 1 3 309.414 0.915 20 0 DCADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001576754925 1164452171 /nfs/dbraw/zinc/45/21/71/1164452171.db2.gz VVHPSSGMZJDTQY-QWHCGFSZSA-N 1 3 313.442 0.946 20 0 DCADHO C[C@H]1CN(CCNCc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC001576807089 1164470738 /nfs/dbraw/zinc/47/07/38/1164470738.db2.gz NBHBLJGUNWLDKZ-KBPBESRZSA-N 1 3 308.430 0.013 20 0 DCADHO CCOC(=O)C1(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC001577927663 1164845293 /nfs/dbraw/zinc/84/52/93/1164845293.db2.gz CJFBLUMEOGXQIY-ZDUSSCGKSA-N 1 3 308.426 0.779 20 0 DCADHO CCOC(=O)C1(C[NH2+]C[C@H](CN)Cc2cnn(C)c2C)CC1 ZINC001577927663 1164845296 /nfs/dbraw/zinc/84/52/96/1164845296.db2.gz CJFBLUMEOGXQIY-ZDUSSCGKSA-N 1 3 308.426 0.779 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC001578419090 1165008617 /nfs/dbraw/zinc/00/86/17/1165008617.db2.gz OOSGNJFSGGTBIA-UHFFFAOYSA-N 1 3 315.421 0.876 20 0 DCADHO CN(C)CCSc1nc(CC(=O)N[C@H]2CC[NH2+]C2)cs1 ZINC001578419308 1165009102 /nfs/dbraw/zinc/00/91/02/1165009102.db2.gz QQJTVXWMKVGSRS-JTQLQIEISA-N 1 3 314.480 0.817 20 0 DCADHO C[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC001578524270 1165043080 /nfs/dbraw/zinc/04/30/80/1165043080.db2.gz CMFOGRPAGKGVRR-CQSZACIVSA-N 1 3 321.429 0.178 20 0 DCADHO COC[C@]1(CN(C)C)COCCN1C(=O)CCC(C)(C)[NH3+] ZINC001578980597 1165176952 /nfs/dbraw/zinc/17/69/52/1165176952.db2.gz DYAYTZINQFYMHZ-OAHLLOKOSA-N 1 3 301.431 0.310 20 0 DCADHO CSCC[C@H](N)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC001579379197 1165290854 /nfs/dbraw/zinc/29/08/54/1165290854.db2.gz WPVBLUMCHSRAQE-AWEZNQCLSA-N 1 3 315.483 0.826 20 0 DCADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H](C)Cc2cnn(C)c2)cnn1C ZINC001579529998 1165339242 /nfs/dbraw/zinc/33/92/42/1165339242.db2.gz PSDPYNYQADBMFE-JSGCOSHPSA-N 1 3 304.442 0.800 20 0 DCADHO [NH3+]CC[C@@H](O)CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001580284557 1165557765 /nfs/dbraw/zinc/55/77/65/1165557765.db2.gz IVBIGJCZHIVLGH-VHSXEESVSA-N 1 3 304.316 0.994 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC001580333574 1165574035 /nfs/dbraw/zinc/57/40/35/1165574035.db2.gz XUCCIFRTWCJIIJ-KKUMJFAQSA-N 1 3 315.483 0.909 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001580654868 1165675552 /nfs/dbraw/zinc/67/55/52/1165675552.db2.gz PABMYVYMAYGTKL-YPMHNXCESA-N 1 3 323.359 0.491 20 0 DCADHO O[C@H](CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)CC1(O)CCOCC1 ZINC001580877988 1165749016 /nfs/dbraw/zinc/74/90/16/1165749016.db2.gz ISORNRINJIRSMW-OWCLPIDISA-N 1 3 312.454 0.743 20 0 DCADHO C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589961641 1166730753 /nfs/dbraw/zinc/73/07/53/1166730753.db2.gz SNJJPMVEAGUDIQ-GFCCVEGCSA-N 1 3 315.425 0.940 20 0 DCADHO C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589961641 1166730759 /nfs/dbraw/zinc/73/07/59/1166730759.db2.gz SNJJPMVEAGUDIQ-GFCCVEGCSA-N 1 3 315.425 0.940 20 0 DCADHO CC(C)(O)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC001646736412 1172499353 /nfs/dbraw/zinc/49/93/53/1172499353.db2.gz MVCAMNHMJFNZSI-OAHLLOKOSA-N 1 3 305.422 0.997 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@H]4N)CC[C@@H]21 ZINC001646781814 1172529173 /nfs/dbraw/zinc/52/91/73/1172529173.db2.gz XPYWWQTZMOCAME-BZPMIXESSA-N 1 3 303.410 0.843 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@H]4N)CC[C@@H]21 ZINC001646781814 1172529179 /nfs/dbraw/zinc/52/91/79/1172529179.db2.gz XPYWWQTZMOCAME-BZPMIXESSA-N 1 3 303.410 0.843 20 0 DCADHO [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccccc1 ZINC001646835771 1172557575 /nfs/dbraw/zinc/55/75/75/1172557575.db2.gz CRTNWFVIRMNISA-GVDBMIGSSA-N 1 3 317.433 0.787 20 0 DCADHO O=C1NCCN1C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001647548029 1172964476 /nfs/dbraw/zinc/96/44/76/1172964476.db2.gz SZSNHQFAWYRKNM-GDBMZVCRSA-N 1 3 308.426 0.245 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001649705329 1173176413 /nfs/dbraw/zinc/17/64/13/1173176413.db2.gz YQEOTCTWDHOJAS-KKUMJFAQSA-N 1 3 312.458 0.879 20 0 DCADHO CC(C)C[C@H]([NH3+])CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001650367799 1173596571 /nfs/dbraw/zinc/59/65/71/1173596571.db2.gz MQESHECATSXDIN-ZDUSSCGKSA-N 1 3 300.447 0.228 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001650369329 1173597153 /nfs/dbraw/zinc/59/71/53/1173597153.db2.gz WBWNBYZHDNKKTP-BZUAXINKSA-N 1 3 302.422 0.152 20 0 DCADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001650373630 1173599694 /nfs/dbraw/zinc/59/96/94/1173599694.db2.gz CZZQCDJCRCVGIG-JKSUJKDBSA-N 1 3 320.437 0.332 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@H](N)C1CCCCC1)C2 ZINC001650391122 1173612450 /nfs/dbraw/zinc/61/24/50/1173612450.db2.gz VBEUVILOHJSQIX-CFAJVAMVSA-N 1 3 323.437 0.633 20 0 DCADHO CCO[C@H](CNC(=O)[C@]1(COC)CCCCN1)C[NH+](C)C ZINC001650393826 1173615813 /nfs/dbraw/zinc/61/58/13/1173615813.db2.gz FOOHNTHMHJBUCF-UKRRQHHQSA-N 1 3 301.431 0.228 20 0 DCADHO C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001650395768 1173617254 /nfs/dbraw/zinc/61/72/54/1173617254.db2.gz KAGWEDWTHJMMFS-GRYCIOLGSA-N 1 3 316.409 0.441 20 0 DCADHO CN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001660254443 1173966197 /nfs/dbraw/zinc/96/61/97/1173966197.db2.gz VXDWIMZAZLOANU-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001663996535 1174381305 /nfs/dbraw/zinc/38/13/05/1174381305.db2.gz YGXVICPTSRBGSV-AWEZNQCLSA-N 1 3 300.447 0.099 20 0 DCADHO CN(CCNCc1cccc(C(N)=O)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664369646 1174427315 /nfs/dbraw/zinc/42/73/15/1174427315.db2.gz GGBNNPPYTJWTHV-HNNXBMFYSA-N 1 3 318.421 0.285 20 0 DCADHO CN(CCNCc1cccc(C(N)=O)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001664369646 1174427317 /nfs/dbraw/zinc/42/73/17/1174427317.db2.gz GGBNNPPYTJWTHV-HNNXBMFYSA-N 1 3 318.421 0.285 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCN1CCCC1=O ZINC001664394399 1174429715 /nfs/dbraw/zinc/42/97/15/1174429715.db2.gz BGWCOTZKDMPHIW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO COC[C@H](O)C[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001666249392 1174594142 /nfs/dbraw/zinc/59/41/42/1174594142.db2.gz LQNNOHWAZWIJFS-OAHLLOKOSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001669002535 1174875335 /nfs/dbraw/zinc/87/53/35/1174875335.db2.gz ZCFHQMYILRIMDO-BYOPPYECSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001669002535 1174875339 /nfs/dbraw/zinc/87/53/39/1174875339.db2.gz ZCFHQMYILRIMDO-BYOPPYECSA-N 1 3 322.453 0.209 20 0 DCADHO CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC)C(N)=O ZINC001670357950 1175006776 /nfs/dbraw/zinc/00/67/76/1175006776.db2.gz XBMLDPCFEGUWHT-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001675916193 1175402999 /nfs/dbraw/zinc/40/29/99/1175402999.db2.gz TZVBARMHAOUTQC-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)NCc1ccc(C[NH2+]CCO)cc1F ZINC001677648624 1175591216 /nfs/dbraw/zinc/59/12/16/1175591216.db2.gz WMMWFKNMFZKEQC-UHFFFAOYSA-N 1 3 311.401 0.864 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC001686705939 1176197594 /nfs/dbraw/zinc/19/75/94/1176197594.db2.gz UHCWPDLNNUGDCK-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001689339692 1176834606 /nfs/dbraw/zinc/83/46/06/1176834606.db2.gz UZPPYKFDBRVROF-LAYDCRAFSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001689339692 1176834612 /nfs/dbraw/zinc/83/46/12/1176834612.db2.gz UZPPYKFDBRVROF-LAYDCRAFSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001689339694 1176835707 /nfs/dbraw/zinc/83/57/07/1176835707.db2.gz UZPPYKFDBRVROF-YOIVVXPQSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001689339694 1176835714 /nfs/dbraw/zinc/83/57/14/1176835714.db2.gz UZPPYKFDBRVROF-YOIVVXPQSA-N 1 3 310.442 0.067 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001689965091 1177130700 /nfs/dbraw/zinc/13/07/00/1177130700.db2.gz HZXORJVLPPYCCA-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001689965091 1177130702 /nfs/dbraw/zinc/13/07/02/1177130702.db2.gz HZXORJVLPPYCCA-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001699364965 1178103167 /nfs/dbraw/zinc/10/31/67/1178103167.db2.gz SLKJKBMVMLQEBY-ZBFHGGJFSA-N 1 3 321.469 0.931 20 0 DCADHO CNC(=O)C[NH2+]CCCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001699550414 1178195077 /nfs/dbraw/zinc/19/50/77/1178195077.db2.gz DOSXKBYXXKFQQL-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001700080462 1178471018 /nfs/dbraw/zinc/47/10/18/1178471018.db2.gz TVKQKKPSWCPLBV-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCO)CC1 ZINC001700105252 1178478300 /nfs/dbraw/zinc/47/83/00/1178478300.db2.gz NQTHWVYQDQZYCI-HDJSIYSDSA-N 1 3 308.426 0.908 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001700732869 1178724472 /nfs/dbraw/zinc/72/44/72/1178724472.db2.gz ZCNAFYYLLPMDRY-CQSZACIVSA-N 1 3 317.397 0.071 20 0 DCADHO CN(C(=O)COC1CC[NH+](C)CC1)[C@@H](CNCCF)C1CC1 ZINC001700731556 1178724711 /nfs/dbraw/zinc/72/47/11/1178724711.db2.gz ANKZRZHAIBAHTD-HNNXBMFYSA-N 1 3 315.433 0.893 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)n[nH]1 ZINC001700853101 1178779156 /nfs/dbraw/zinc/77/91/56/1178779156.db2.gz YTIDETMGOUYHDQ-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001700957300 1178832703 /nfs/dbraw/zinc/83/27/03/1178832703.db2.gz HUXLHNCTTATPFN-HNNXBMFYSA-N 1 3 315.433 0.487 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)N(C)C ZINC001703209153 1179394577 /nfs/dbraw/zinc/39/45/77/1179394577.db2.gz RFGZGNVQHCKBMU-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)N(C)C ZINC001703209153 1179394584 /nfs/dbraw/zinc/39/45/84/1179394584.db2.gz RFGZGNVQHCKBMU-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001712950517 1180580426 /nfs/dbraw/zinc/58/04/26/1180580426.db2.gz LHWBDBHBHAGHQR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001712950517 1180580429 /nfs/dbraw/zinc/58/04/29/1180580429.db2.gz LHWBDBHBHAGHQR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001713601339 1180956537 /nfs/dbraw/zinc/95/65/37/1180956537.db2.gz UAQIUIINVIWNOU-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001713601339 1180956543 /nfs/dbraw/zinc/95/65/43/1180956543.db2.gz UAQIUIINVIWNOU-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001713610353 1180965290 /nfs/dbraw/zinc/96/52/90/1180965290.db2.gz SLFIXBDRAFLTPS-UHFFFAOYSA-N 1 3 305.426 0.597 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001714022070 1181208470 /nfs/dbraw/zinc/20/84/70/1181208470.db2.gz LFINBKKFTVSLIN-XQQFMLRXSA-N 1 3 319.396 0.988 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001714702922 1181490786 /nfs/dbraw/zinc/49/07/86/1181490786.db2.gz BQIMYKYFKTZVFR-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001714702922 1181490789 /nfs/dbraw/zinc/49/07/89/1181490789.db2.gz BQIMYKYFKTZVFR-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCc2n[nH]c(C)n2)C1 ZINC001714751346 1181524261 /nfs/dbraw/zinc/52/42/61/1181524261.db2.gz ZVBYXWKJDVWITP-AWEZNQCLSA-N 1 3 322.457 0.783 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCc2n[nH]c(C)n2)C1 ZINC001714751346 1181524262 /nfs/dbraw/zinc/52/42/62/1181524262.db2.gz ZVBYXWKJDVWITP-AWEZNQCLSA-N 1 3 322.457 0.783 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)COC1CC[NH+](C)CC1 ZINC001714770407 1181536501 /nfs/dbraw/zinc/53/65/01/1181536501.db2.gz AHYHJAUPVUBUFD-UHFFFAOYSA-N 1 3 323.441 0.079 20 0 DCADHO C[C@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)Cc1c[nH]cn1 ZINC001714776233 1181539747 /nfs/dbraw/zinc/53/97/47/1181539747.db2.gz LAPSFXGXEWUBNQ-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO C[C@H](C[NH2+]CCOCC(F)(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001715366895 1181791109 /nfs/dbraw/zinc/79/11/09/1181791109.db2.gz INMNJMHNZPGYEY-SNVBAGLBSA-N 1 3 322.331 0.968 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715766687 1181985210 /nfs/dbraw/zinc/98/52/10/1181985210.db2.gz OKAIHASOPPPQLN-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCC(=O)N1CCC1 ZINC001715911394 1182096253 /nfs/dbraw/zinc/09/62/53/1182096253.db2.gz HWHPPVASGQGUIQ-FOSCPCJNSA-N 1 3 322.453 0.355 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCC(=O)N1CCC1 ZINC001715911394 1182096259 /nfs/dbraw/zinc/09/62/59/1182096259.db2.gz HWHPPVASGQGUIQ-FOSCPCJNSA-N 1 3 322.453 0.355 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001716351910 1182351910 /nfs/dbraw/zinc/35/19/10/1182351910.db2.gz IDFCFCDTXDENAE-ISZGNANSSA-N 1 3 310.442 0.244 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2C1 ZINC001717012607 1182622076 /nfs/dbraw/zinc/62/20/76/1182622076.db2.gz MVTVHCNHRQMSBF-GASCZTMLSA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2C1 ZINC001717012607 1182622080 /nfs/dbraw/zinc/62/20/80/1182622080.db2.gz MVTVHCNHRQMSBF-GASCZTMLSA-N 1 3 318.421 0.769 20 0 DCADHO COCCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001717013004 1182623139 /nfs/dbraw/zinc/62/31/39/1182623139.db2.gz TYILAZCMYRVLEW-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO COCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001717013004 1182623142 /nfs/dbraw/zinc/62/31/42/1182623142.db2.gz TYILAZCMYRVLEW-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001721858825 1184082597 /nfs/dbraw/zinc/08/25/97/1184082597.db2.gz KKLGBHKMAWVZGJ-FAAWYNLUSA-N 1 3 322.453 0.213 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001721858825 1184082603 /nfs/dbraw/zinc/08/26/03/1184082603.db2.gz KKLGBHKMAWVZGJ-FAAWYNLUSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)N(C)C ZINC001723056264 1184257385 /nfs/dbraw/zinc/25/73/85/1184257385.db2.gz YFGJZWHZOPMOKP-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCO ZINC001724584169 1184467008 /nfs/dbraw/zinc/46/70/08/1184467008.db2.gz HVGMULLBZNUMTM-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCOCC2CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001725597334 1184905045 /nfs/dbraw/zinc/90/50/45/1184905045.db2.gz HXGDJWLLYMUCGR-DOMZBBRYSA-N 1 3 306.410 0.958 20 0 DCADHO Cc1nnsc1CNCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732752202 1185949218 /nfs/dbraw/zinc/94/92/18/1185949218.db2.gz ACFBCMVDFOJQKL-CMPLNLGQSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CNCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001732752202 1185949223 /nfs/dbraw/zinc/94/92/23/1185949223.db2.gz ACFBCMVDFOJQKL-CMPLNLGQSA-N 1 3 311.455 0.783 20 0 DCADHO CCCNC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732773830 1185960290 /nfs/dbraw/zinc/96/02/90/1185960290.db2.gz GGZWPFFQQULFGW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732773830 1185960292 /nfs/dbraw/zinc/96/02/92/1185960292.db2.gz GGZWPFFQQULFGW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001732850457 1186012510 /nfs/dbraw/zinc/01/25/10/1186012510.db2.gz IZHDQAURIAWCQN-BEWKBBBFSA-N 1 3 324.469 0.598 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001732850457 1186012512 /nfs/dbraw/zinc/01/25/12/1186012512.db2.gz IZHDQAURIAWCQN-BEWKBBBFSA-N 1 3 324.469 0.598 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)C1=O ZINC001733128635 1186152956 /nfs/dbraw/zinc/15/29/56/1186152956.db2.gz LEFKQQZNVKRNKH-CQSZACIVSA-N 1 3 321.425 0.400 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)C12CC[NH+](CC1)C2 ZINC001733142384 1186160831 /nfs/dbraw/zinc/16/08/31/1186160831.db2.gz CDXDDBPHGZLPFH-UHFFFAOYSA-N 1 3 305.426 0.454 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001733668695 1186395472 /nfs/dbraw/zinc/39/54/72/1186395472.db2.gz ZVWWFHWZACJRGH-KBPBESRZSA-N 1 3 306.410 0.817 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](CNCCF)C2)C1 ZINC001733742535 1186426799 /nfs/dbraw/zinc/42/67/99/1186426799.db2.gz IVQZFQJSYQJVPD-CABCVRRESA-N 1 3 315.433 0.895 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](CNCCF)C2)C1 ZINC001733742535 1186426802 /nfs/dbraw/zinc/42/68/02/1186426802.db2.gz IVQZFQJSYQJVPD-CABCVRRESA-N 1 3 315.433 0.895 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001733885441 1186485862 /nfs/dbraw/zinc/48/58/62/1186485862.db2.gz MQQOPJHGYWEPNT-ZDUSSCGKSA-N 1 3 321.412 0.579 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC(O)(CNCCF)CC2)CC[N@@H+]1C ZINC001733886311 1186486881 /nfs/dbraw/zinc/48/68/81/1186486881.db2.gz NWABTOCZCOXTBR-KBPBESRZSA-N 1 3 315.433 0.629 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC(O)(CNCCF)CC2)CC[N@H+]1C ZINC001733886311 1186486888 /nfs/dbraw/zinc/48/68/88/1186486888.db2.gz NWABTOCZCOXTBR-KBPBESRZSA-N 1 3 315.433 0.629 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001738062207 1187464263 /nfs/dbraw/zinc/46/42/63/1187464263.db2.gz SUDOYJJLWGUNQL-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001738473230 1187563587 /nfs/dbraw/zinc/56/35/87/1187563587.db2.gz HXAPBPVBWRVRGG-WSNITJDQSA-N 1 3 322.453 0.211 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNC(=O)CN1CCCC1 ZINC001738513767 1187579903 /nfs/dbraw/zinc/57/99/03/1187579903.db2.gz MOHPMYJFVHNORG-VOTSOKGWSA-N 1 3 324.469 0.601 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC/C=C/CNC(=O)CN1CCCC1 ZINC001738513767 1187579905 /nfs/dbraw/zinc/57/99/05/1187579905.db2.gz MOHPMYJFVHNORG-VOTSOKGWSA-N 1 3 324.469 0.601 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001753039796 1188482004 /nfs/dbraw/zinc/48/20/04/1188482004.db2.gz KGNXRCJDANHQKP-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753039796 1188482006 /nfs/dbraw/zinc/48/20/06/1188482006.db2.gz KGNXRCJDANHQKP-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001753254880 1188550604 /nfs/dbraw/zinc/55/06/04/1188550604.db2.gz RYOOUDHRWVSANG-ZDUSSCGKSA-N 1 3 308.430 0.155 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001753264369 1188553725 /nfs/dbraw/zinc/55/37/25/1188553725.db2.gz PNHINXLUTNLRHD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CCNCC(=O)NC)C1 ZINC001754063230 1188726320 /nfs/dbraw/zinc/72/63/20/1188726320.db2.gz GNIVIXSBMSPRMM-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)CCNCC(=O)NC)C1 ZINC001754063230 1188726323 /nfs/dbraw/zinc/72/63/23/1188726323.db2.gz GNIVIXSBMSPRMM-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCN(CC[NH2+]CCN1CCCC1=O)C(=O)CN1CC[C@H](C)C1 ZINC001754067251 1188726535 /nfs/dbraw/zinc/72/65/35/1188726535.db2.gz OXRZWOUUHIHQLI-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2(CNCCF)CCOCC2)CC[N@@H+]1C ZINC001755095848 1189021100 /nfs/dbraw/zinc/02/11/00/1189021100.db2.gz BXBDFIXPODHMBM-CHWSQXEVSA-N 1 3 301.406 0.551 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2(CNCCF)CCOCC2)CC[N@H+]1C ZINC001755095848 1189021105 /nfs/dbraw/zinc/02/11/05/1189021105.db2.gz BXBDFIXPODHMBM-CHWSQXEVSA-N 1 3 301.406 0.551 20 0 DCADHO COC[C@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCCCN1 ZINC001772270456 1190649724 /nfs/dbraw/zinc/64/97/24/1190649724.db2.gz MDLVMFXTABQULJ-FOGDFJRCSA-N 1 3 309.332 0.493 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC(C)(C)C ZINC001127466438 751407012 /nfs/dbraw/zinc/40/70/12/751407012.db2.gz FGKPHBCDMWJLNL-OCCSQVGLSA-N 1 3 324.469 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@H]2O)C1 ZINC001077553381 751446020 /nfs/dbraw/zinc/44/60/20/751446020.db2.gz IXNMQDWKALPIFZ-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@H]2O)C1 ZINC001077553381 751446023 /nfs/dbraw/zinc/44/60/23/751446023.db2.gz IXNMQDWKALPIFZ-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778004 752061534 /nfs/dbraw/zinc/06/15/34/752061534.db2.gz BXEWWNLEEACFJV-QWHCGFSZSA-N 1 3 324.450 0.521 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778004 752061541 /nfs/dbraw/zinc/06/15/41/752061541.db2.gz BXEWWNLEEACFJV-QWHCGFSZSA-N 1 3 324.450 0.521 20 0 DCADHO CC[C@@H]([NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001100404854 746934818 /nfs/dbraw/zinc/93/48/18/746934818.db2.gz XQTQEHFMRMCVTB-WXRRBKDZSA-N 1 3 310.442 0.219 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161296660 747025351 /nfs/dbraw/zinc/02/53/51/747025351.db2.gz NTSXNFMEMRRRET-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224876 747025807 /nfs/dbraw/zinc/02/58/07/747025807.db2.gz LSWDRYCBDGJYSC-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)CCCF)CC1 ZINC001098540548 747112394 /nfs/dbraw/zinc/11/23/94/747112394.db2.gz SJLHODSLGQYNAF-UHFFFAOYSA-N 1 3 317.449 0.973 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)CCCF)CC1 ZINC001098540548 747112395 /nfs/dbraw/zinc/11/23/95/747112395.db2.gz SJLHODSLGQYNAF-UHFFFAOYSA-N 1 3 317.449 0.973 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167385494 747155278 /nfs/dbraw/zinc/15/52/78/747155278.db2.gz GJJIDTFPHHMBEC-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211257886 747186608 /nfs/dbraw/zinc/18/66/08/747186608.db2.gz WIOQHAZZRCDOIK-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(N)=O ZINC001167634052 747438862 /nfs/dbraw/zinc/43/88/62/747438862.db2.gz DKQAHZGFBJZXNU-KBPBESRZSA-N 1 3 312.458 0.609 20 0 DCADHO Cc1nccnc1CNC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637350 747507026 /nfs/dbraw/zinc/50/70/26/747507026.db2.gz OGMUJTWJILRRBM-UHFFFAOYSA-N 1 3 305.426 0.721 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)C1 ZINC001083274937 747678804 /nfs/dbraw/zinc/67/88/04/747678804.db2.gz HNSLMQUDSLQKJV-HRCADAONSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)C1 ZINC001083274937 747678807 /nfs/dbraw/zinc/67/88/07/747678807.db2.gz HNSLMQUDSLQKJV-HRCADAONSA-N 1 3 307.438 0.650 20 0 DCADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO)C1CCC1 ZINC001087363869 747768061 /nfs/dbraw/zinc/76/80/61/747768061.db2.gz OXRSZOMUEIIOET-SVGFKBNWSA-N 1 3 321.465 0.632 20 0 DCADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO)C1CCC1 ZINC001087363869 747768065 /nfs/dbraw/zinc/76/80/65/747768065.db2.gz OXRSZOMUEIIOET-SVGFKBNWSA-N 1 3 321.465 0.632 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNCc1cnnn1C ZINC001104622407 747805521 /nfs/dbraw/zinc/80/55/21/747805521.db2.gz VWGIENXNGCWLCP-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCO)C1 ZINC001104676711 747826816 /nfs/dbraw/zinc/82/68/16/747826816.db2.gz VDZFHLOUSBEKOY-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CN1C[C@H]2CCCN(S(=O)(=O)CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001239097973 752245130 /nfs/dbraw/zinc/24/51/30/752245130.db2.gz UKFZXTNDVFRQCB-ZIAGYGMSSA-N 1 3 301.456 0.342 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)N(C)C ZINC001112524374 748176525 /nfs/dbraw/zinc/17/65/25/748176525.db2.gz KSZCIXNSRRJTMD-LXZKKBNFSA-N 1 3 324.469 0.276 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001077661796 752248032 /nfs/dbraw/zinc/24/80/32/752248032.db2.gz IVCJZJCSBSCKLG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372647 748639126 /nfs/dbraw/zinc/63/91/26/748639126.db2.gz QZSHKZSFWVWZCL-CYBMUJFWSA-N 1 3 320.441 0.503 20 0 DCADHO CCCCNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372647 748639130 /nfs/dbraw/zinc/63/91/30/748639130.db2.gz QZSHKZSFWVWZCL-CYBMUJFWSA-N 1 3 320.441 0.503 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)C1 ZINC001088107357 749241699 /nfs/dbraw/zinc/24/16/99/749241699.db2.gz UDENCUCBNUJIJJ-CVEARBPZSA-N 1 3 323.481 0.881 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)C1 ZINC001088107357 749241702 /nfs/dbraw/zinc/24/17/02/749241702.db2.gz UDENCUCBNUJIJJ-CVEARBPZSA-N 1 3 323.481 0.881 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088431421 749439723 /nfs/dbraw/zinc/43/97/23/749439723.db2.gz UOCSIFJQWOXEGU-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO Cn1nncc1CNCC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168136598 749472522 /nfs/dbraw/zinc/47/25/22/749472522.db2.gz HSJCWSIFCRHKJV-CYBMUJFWSA-N 1 3 320.441 0.143 20 0 DCADHO Cn1nncc1CNCC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168136598 749472526 /nfs/dbraw/zinc/47/25/26/749472526.db2.gz HSJCWSIFCRHKJV-CYBMUJFWSA-N 1 3 320.441 0.143 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100901892 749524615 /nfs/dbraw/zinc/52/46/15/749524615.db2.gz SWEIERRQGDTLGR-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001077149911 750228472 /nfs/dbraw/zinc/22/84/72/750228472.db2.gz CQWNVILQCDFPKQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077280962 750314359 /nfs/dbraw/zinc/31/43/59/750314359.db2.gz RGOXWSMLDRVVEQ-OWCLPIDISA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077280962 750314366 /nfs/dbraw/zinc/31/43/66/750314366.db2.gz RGOXWSMLDRVVEQ-OWCLPIDISA-N 1 3 309.454 0.678 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255664 750937124 /nfs/dbraw/zinc/93/71/24/750937124.db2.gz KNYNACCFQYRCIG-KGLIPLIRSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255664 750937127 /nfs/dbraw/zinc/93/71/27/750937127.db2.gz KNYNACCFQYRCIG-KGLIPLIRSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255668 750937167 /nfs/dbraw/zinc/93/71/67/750937167.db2.gz KNYNACCFQYRCIG-ZIAGYGMSSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255668 750937170 /nfs/dbraw/zinc/93/71/70/750937170.db2.gz KNYNACCFQYRCIG-ZIAGYGMSSA-N 1 3 305.426 0.500 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256545 750945338 /nfs/dbraw/zinc/94/53/38/750945338.db2.gz OXMOZTSFHDAQCV-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256545 750945343 /nfs/dbraw/zinc/94/53/43/750945343.db2.gz OXMOZTSFHDAQCV-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083719465 751032308 /nfs/dbraw/zinc/03/23/08/751032308.db2.gz FBUNSVRDZXTXCH-OAGGEKHMSA-N 1 3 309.454 0.680 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083719465 751032312 /nfs/dbraw/zinc/03/23/12/751032312.db2.gz FBUNSVRDZXTXCH-OAGGEKHMSA-N 1 3 309.454 0.680 20 0 DCADHO Cn1nccc1CNCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127317307 751094828 /nfs/dbraw/zinc/09/48/28/751094828.db2.gz NZNNHTCGUNAARJ-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C2)C1 ZINC001106665999 751221679 /nfs/dbraw/zinc/22/16/79/751221679.db2.gz DPBQVOBPHAKLNO-RBSFLKMASA-N 1 3 324.469 0.101 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C)C(N)=O ZINC001106785197 751279720 /nfs/dbraw/zinc/27/97/20/751279720.db2.gz ZTCHNJQNMNRPSM-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749439 752857920 /nfs/dbraw/zinc/85/79/20/752857920.db2.gz KEUGAEONKRLXEH-GXTWGEPZSA-N 1 3 316.409 0.855 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C)C1CCC1 ZINC001045070682 753032699 /nfs/dbraw/zinc/03/26/99/753032699.db2.gz QYBAQQJQCTTZKG-HNNXBMFYSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066082 753458703 /nfs/dbraw/zinc/45/87/03/753458703.db2.gz HYUPUGKJPZVHJW-OAHLLOKOSA-N 1 3 305.426 0.579 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066082 753458706 /nfs/dbraw/zinc/45/87/06/753458706.db2.gz HYUPUGKJPZVHJW-OAHLLOKOSA-N 1 3 305.426 0.579 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C)CCN(CCO)C2)c1 ZINC001046853107 753981369 /nfs/dbraw/zinc/98/13/69/753981369.db2.gz STCNEWYIOWISEX-KRWDZBQOSA-N 1 3 305.422 0.935 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001128553393 754091795 /nfs/dbraw/zinc/09/17/95/754091795.db2.gz WUARMBLTMOYELI-DGCLKSJQSA-N 1 3 316.421 0.039 20 0 DCADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047382085 754230002 /nfs/dbraw/zinc/23/00/02/754230002.db2.gz VZKDTCLJTVTORD-PMPSAXMXSA-N 1 3 307.438 0.242 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001047407888 754254963 /nfs/dbraw/zinc/25/49/63/754254963.db2.gz PWEJXARYWPOOMA-ULQDDVLXSA-N 1 3 323.481 0.878 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001047407888 754254964 /nfs/dbraw/zinc/25/49/64/754254964.db2.gz PWEJXARYWPOOMA-ULQDDVLXSA-N 1 3 323.481 0.878 20 0 DCADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424344 754269813 /nfs/dbraw/zinc/26/98/13/754269813.db2.gz HSECLRYKWLLGNN-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592135 754417216 /nfs/dbraw/zinc/41/72/16/754417216.db2.gz FRGHPEZAAJOHLM-HOTGVXAUSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H]([NH2+]Cc1cnns1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066797 754599190 /nfs/dbraw/zinc/59/91/90/754599190.db2.gz PZXYHVLFBHKTBV-QWHCGFSZSA-N 1 3 323.466 0.961 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829021 754964870 /nfs/dbraw/zinc/96/48/70/754964870.db2.gz HBRSAWGZLRIQOK-TWMKSMIVSA-N 1 3 321.465 0.896 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829021 754964874 /nfs/dbraw/zinc/96/48/74/754964874.db2.gz HBRSAWGZLRIQOK-TWMKSMIVSA-N 1 3 321.465 0.896 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057092 755096290 /nfs/dbraw/zinc/09/62/90/755096290.db2.gz LKLWQLMPTSBDLW-XUWVNRHRSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057092 755096292 /nfs/dbraw/zinc/09/62/92/755096292.db2.gz LKLWQLMPTSBDLW-XUWVNRHRSA-N 1 3 309.454 0.896 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC001049082977 755107843 /nfs/dbraw/zinc/10/78/43/755107843.db2.gz PCEXOVUTXJRBCW-IJEWVQPXSA-N 1 3 318.421 0.912 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC001049082977 755107844 /nfs/dbraw/zinc/10/78/44/755107844.db2.gz PCEXOVUTXJRBCW-IJEWVQPXSA-N 1 3 318.421 0.912 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049097751 755116460 /nfs/dbraw/zinc/11/64/60/755116460.db2.gz RNPHSRUYMJVGKB-XHSDSOJGSA-N 1 3 309.454 0.632 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049097751 755116466 /nfs/dbraw/zinc/11/64/66/755116466.db2.gz RNPHSRUYMJVGKB-XHSDSOJGSA-N 1 3 309.454 0.632 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001168763473 755170487 /nfs/dbraw/zinc/17/04/87/755170487.db2.gz ODLGJYBQFVOOTR-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1C ZINC001080021585 756077276 /nfs/dbraw/zinc/07/72/76/756077276.db2.gz GTNQVZUHORDCAM-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1C ZINC001080021585 756077282 /nfs/dbraw/zinc/07/72/82/756077282.db2.gz GTNQVZUHORDCAM-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001080021585 756077288 /nfs/dbraw/zinc/07/72/88/756077288.db2.gz GTNQVZUHORDCAM-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001080021585 756077292 /nfs/dbraw/zinc/07/72/92/756077292.db2.gz GTNQVZUHORDCAM-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080532806 756239801 /nfs/dbraw/zinc/23/98/01/756239801.db2.gz YUPSKFOSCGJYFX-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080532806 756239805 /nfs/dbraw/zinc/23/98/05/756239805.db2.gz YUPSKFOSCGJYFX-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC001080943153 756396048 /nfs/dbraw/zinc/39/60/48/756396048.db2.gz RZAGUHXFPUPVKP-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC001080943153 756396054 /nfs/dbraw/zinc/39/60/54/756396054.db2.gz RZAGUHXFPUPVKP-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054738516 756623161 /nfs/dbraw/zinc/62/31/61/756623161.db2.gz QRIPYSDAEZBHCG-KGLIPLIRSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCn1cncn1 ZINC001082559998 757186904 /nfs/dbraw/zinc/18/69/04/757186904.db2.gz WOGQKXDPNUJCKH-BPLDGKMQSA-N 1 3 320.441 0.055 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082558278 757187074 /nfs/dbraw/zinc/18/70/74/757187074.db2.gz IRQHTYANTDRDFG-HZSPNIEDSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082558278 757187075 /nfs/dbraw/zinc/18/70/75/757187075.db2.gz IRQHTYANTDRDFG-HZSPNIEDSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001082747203 757235606 /nfs/dbraw/zinc/23/56/06/757235606.db2.gz DVBVAWPGWDMVOT-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001082724780 757245305 /nfs/dbraw/zinc/24/53/05/757245305.db2.gz IZBZXEGHQUCUEE-RBSFLKMASA-N 1 3 322.457 0.301 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)CC[N@@H+]1C ZINC001083086590 757485751 /nfs/dbraw/zinc/48/57/51/757485751.db2.gz UGBPHCORJGBZQX-DMRZNYOFSA-N 1 3 307.438 0.648 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)CC[N@H+]1C ZINC001083086590 757485756 /nfs/dbraw/zinc/48/57/56/757485756.db2.gz UGBPHCORJGBZQX-DMRZNYOFSA-N 1 3 307.438 0.648 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)c1 ZINC001084087187 757664983 /nfs/dbraw/zinc/66/49/83/757664983.db2.gz AGTACOMMQBPWMD-SJORKVTESA-N 1 3 317.433 0.933 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)c1 ZINC001084087187 757664995 /nfs/dbraw/zinc/66/49/95/757664995.db2.gz AGTACOMMQBPWMD-SJORKVTESA-N 1 3 317.433 0.933 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3CCCC3)C2)CC1 ZINC001050756115 758030425 /nfs/dbraw/zinc/03/04/25/758030425.db2.gz RAUCKAOKAFXKHE-CQSZACIVSA-N 1 3 322.453 0.271 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050765477 758038351 /nfs/dbraw/zinc/03/83/51/758038351.db2.gz ROZVZMPHMABADH-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO NC(=O)[C@@H](F)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001580085239 1165496121 /nfs/dbraw/zinc/49/61/21/1165496121.db2.gz XCGBVESODRWFKM-KBPBESRZSA-N 1 3 313.417 0.681 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001051342192 758585205 /nfs/dbraw/zinc/58/52/05/758585205.db2.gz WOMLQKPYFBNUCV-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001085421882 758864992 /nfs/dbraw/zinc/86/49/92/758864992.db2.gz AHLNSVRSBBXRBE-NUEKZKHPSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085421882 758865006 /nfs/dbraw/zinc/86/50/06/758865006.db2.gz AHLNSVRSBBXRBE-NUEKZKHPSA-N 1 3 319.453 0.889 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001051848310 758987476 /nfs/dbraw/zinc/98/74/76/758987476.db2.gz OTXKSUNSYMLTID-LSDHHAIUSA-N 1 3 322.409 0.338 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052031745 759130497 /nfs/dbraw/zinc/13/04/97/759130497.db2.gz VQKFDDKEPBNTHS-BRWVUGGUSA-N 1 3 322.497 0.955 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052031745 759130499 /nfs/dbraw/zinc/13/04/99/759130499.db2.gz VQKFDDKEPBNTHS-BRWVUGGUSA-N 1 3 322.497 0.955 20 0 DCADHO COCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782637 759304796 /nfs/dbraw/zinc/30/47/96/759304796.db2.gz ZQJCONIKFIXOCY-LSDHHAIUSA-N 1 3 313.442 0.275 20 0 DCADHO COCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085782637 759304805 /nfs/dbraw/zinc/30/48/05/759304805.db2.gz ZQJCONIKFIXOCY-LSDHHAIUSA-N 1 3 313.442 0.275 20 0 DCADHO COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CN(C(C)C)CCO1 ZINC001085782637 759304817 /nfs/dbraw/zinc/30/48/17/759304817.db2.gz ZQJCONIKFIXOCY-LSDHHAIUSA-N 1 3 313.442 0.275 20 0 DCADHO COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CN(C(C)C)CCO1 ZINC001085782637 759304823 /nfs/dbraw/zinc/30/48/23/759304823.db2.gz ZQJCONIKFIXOCY-LSDHHAIUSA-N 1 3 313.442 0.275 20 0 DCADHO C[NH+](C)CCOCC(=O)NCCNCc1ccc(F)c(F)c1 ZINC001147842300 767858081 /nfs/dbraw/zinc/85/80/81/767858081.db2.gz QIVWEIIVMJUBPK-UHFFFAOYSA-N 1 3 315.364 0.749 20 0 DCADHO COc1cc(CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC001147878293 767870791 /nfs/dbraw/zinc/87/07/91/767870791.db2.gz XNGKLKXPUDXUQS-CQSZACIVSA-N 1 3 306.410 0.638 20 0 DCADHO COc1cc(CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001147878293 767870797 /nfs/dbraw/zinc/87/07/97/767870797.db2.gz XNGKLKXPUDXUQS-CQSZACIVSA-N 1 3 306.410 0.638 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086364709 760106347 /nfs/dbraw/zinc/10/63/47/760106347.db2.gz NZWGSDUIHHUACJ-KBUPBQIOSA-N 1 3 322.453 0.232 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001100084141 760189201 /nfs/dbraw/zinc/18/92/01/760189201.db2.gz XWGISINWLWOAQP-KGLIPLIRSA-N 1 3 303.422 0.629 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001100084141 760189204 /nfs/dbraw/zinc/18/92/04/760189204.db2.gz XWGISINWLWOAQP-KGLIPLIRSA-N 1 3 303.422 0.629 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@@H](N([C@H]1CCC[NH2+]C1)S(C)(=O)=O)C2 ZINC001169152243 760597836 /nfs/dbraw/zinc/59/78/36/760597836.db2.gz ACWZPNKLCJNRSM-RFQIPJPRSA-N 1 3 301.456 0.625 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148365717 767974934 /nfs/dbraw/zinc/97/49/34/767974934.db2.gz XQQVTLDKPCVRBI-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001129341824 760792357 /nfs/dbraw/zinc/79/23/57/760792357.db2.gz ZVNIJEKXLHXHRU-OAHLLOKOSA-N 1 3 324.469 0.196 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001129341824 760792363 /nfs/dbraw/zinc/79/23/63/760792363.db2.gz ZVNIJEKXLHXHRU-OAHLLOKOSA-N 1 3 324.469 0.196 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364822 761054543 /nfs/dbraw/zinc/05/45/43/761054543.db2.gz ZNJPECACZXUEOZ-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070268816 761158858 /nfs/dbraw/zinc/15/88/58/761158858.db2.gz OUDMHQXDNJOYRT-QLFBSQMISA-N 1 3 322.457 0.614 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275573 761160641 /nfs/dbraw/zinc/16/06/41/761160641.db2.gz STPDCUKROOORIG-KGLIPLIRSA-N 1 3 320.441 0.371 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N[C@H](C)CC ZINC001148577980 768019712 /nfs/dbraw/zinc/01/97/12/768019712.db2.gz MCKZMIHAIKQCDA-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N[C@H](C)CC ZINC001148577980 768019716 /nfs/dbraw/zinc/01/97/16/768019716.db2.gz MCKZMIHAIKQCDA-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CN(C)C[C@@H]1COCCN1C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148645780 768022996 /nfs/dbraw/zinc/02/29/96/768022996.db2.gz IHZOMEASOFUHIH-CYBMUJFWSA-N 1 3 305.382 0.395 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001148655129 768024758 /nfs/dbraw/zinc/02/47/58/768024758.db2.gz IFRTYHXLVAKWHG-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001070754451 761431256 /nfs/dbraw/zinc/43/12/56/761431256.db2.gz JDQLLBBUKCYNLJ-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001070754451 761431263 /nfs/dbraw/zinc/43/12/63/761431263.db2.gz JDQLLBBUKCYNLJ-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001071254747 761746300 /nfs/dbraw/zinc/74/63/00/761746300.db2.gz SJNRPOTWNXYXMW-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001071256511 761748361 /nfs/dbraw/zinc/74/83/61/761748361.db2.gz ZXUFGWNNTOZAIO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086551642 761829582 /nfs/dbraw/zinc/82/95/82/761829582.db2.gz HQYDTHNZSXBKLM-YDHLFZDLSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086551642 761829591 /nfs/dbraw/zinc/82/95/91/761829591.db2.gz HQYDTHNZSXBKLM-YDHLFZDLSA-N 1 3 306.410 0.919 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnns3)C2)C1 ZINC001086875265 768084716 /nfs/dbraw/zinc/08/47/16/768084716.db2.gz LVTIQCLNOYYAGD-RWMBFGLXSA-N 1 3 323.466 0.864 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCc3cnns3)C2)C1 ZINC001086875265 768084723 /nfs/dbraw/zinc/08/47/23/768084723.db2.gz LVTIQCLNOYYAGD-RWMBFGLXSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099307318 762859877 /nfs/dbraw/zinc/85/98/77/762859877.db2.gz NPGMFNKYVFGBKC-IJLUTSLNSA-N 1 3 323.359 0.299 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099307318 762859883 /nfs/dbraw/zinc/85/98/83/762859883.db2.gz NPGMFNKYVFGBKC-IJLUTSLNSA-N 1 3 323.359 0.299 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)n1 ZINC001129444342 762936832 /nfs/dbraw/zinc/93/68/32/762936832.db2.gz RPSMZFHNPIYQDI-HNNXBMFYSA-N 1 3 307.442 0.546 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCCN1CCCC1=O)C1CC1 ZINC001129454558 762939982 /nfs/dbraw/zinc/93/99/82/762939982.db2.gz LTIDWZOCACORAD-OAHLLOKOSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430845 762940754 /nfs/dbraw/zinc/94/07/54/762940754.db2.gz YIFQBVIDXCSNHK-GJZGRUSLSA-N 1 3 322.453 0.378 20 0 DCADHO O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430845 762940759 /nfs/dbraw/zinc/94/07/59/762940759.db2.gz YIFQBVIDXCSNHK-GJZGRUSLSA-N 1 3 322.453 0.378 20 0 DCADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)N1CCCCC1)C1CC1 ZINC001129436203 762941979 /nfs/dbraw/zinc/94/19/79/762941979.db2.gz NIUOIWWIFVUTDN-OAHLLOKOSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047512 763103482 /nfs/dbraw/zinc/10/34/82/763103482.db2.gz FEKSLZIUWCCCMH-KGLIPLIRSA-N 1 3 308.430 0.371 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186160 763164132 /nfs/dbraw/zinc/16/41/32/763164132.db2.gz BSOUAXKXAMNZAR-HIFRSBDPSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186160 763164139 /nfs/dbraw/zinc/16/41/39/763164139.db2.gz BSOUAXKXAMNZAR-HIFRSBDPSA-N 1 3 305.426 0.643 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001130205600 763178242 /nfs/dbraw/zinc/17/82/42/763178242.db2.gz QCXSUGYGBWZRCY-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)cc1 ZINC001099987376 763190955 /nfs/dbraw/zinc/19/09/55/763190955.db2.gz ZDJUWACLKDUEBW-DLBZAZTESA-N 1 3 319.449 0.998 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001130425372 763295950 /nfs/dbraw/zinc/29/59/50/763295950.db2.gz WLNFEKLAQYRORL-UHFFFAOYSA-N 1 3 310.446 0.331 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419062 763305547 /nfs/dbraw/zinc/30/55/47/763305547.db2.gz JVMJAMBLQZCSJY-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419062 763305550 /nfs/dbraw/zinc/30/55/50/763305550.db2.gz JVMJAMBLQZCSJY-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CN(CCC(=O)NCCNCc1ccnn1C)c1cc[nH+]cc1 ZINC001130556671 763381626 /nfs/dbraw/zinc/38/16/26/763381626.db2.gz RMZAFMPYSAGSFR-UHFFFAOYSA-N 1 3 316.409 0.547 20 0 DCADHO CCOC(=O)C1=C(Nc2nccc(C3C[NH2+]C3)n2)CCNC1 ZINC001170516108 763508758 /nfs/dbraw/zinc/50/87/58/763508758.db2.gz PSUSSEFRCCNYBS-UHFFFAOYSA-N 1 3 303.366 0.386 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405908 763555833 /nfs/dbraw/zinc/55/58/33/763555833.db2.gz RPGLBVFOQRANLD-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001100410620 763560840 /nfs/dbraw/zinc/56/08/40/763560840.db2.gz FMZRCZRUPDYNKS-UHFFFAOYSA-N 1 3 320.441 0.284 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100460077 763590279 /nfs/dbraw/zinc/59/02/79/763590279.db2.gz OGEAKWCCRYEKSE-WXRRBKDZSA-N 1 3 310.442 0.090 20 0 DCADHO Cn1nncc1CNC1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619761 763686334 /nfs/dbraw/zinc/68/63/34/763686334.db2.gz HFOIUKIOVVTUTF-UHFFFAOYSA-N 1 3 308.430 0.141 20 0 DCADHO CCn1nnc(C)c1CNC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636834 763694562 /nfs/dbraw/zinc/69/45/62/763694562.db2.gz NBUADXMBFJLHFV-UHFFFAOYSA-N 1 3 322.457 0.543 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100674119 763715854 /nfs/dbraw/zinc/71/58/54/763715854.db2.gz NFGOUKGYTWMWMA-WLYUNCDWSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001100683902 763722833 /nfs/dbraw/zinc/72/28/33/763722833.db2.gz XUEJVZYYQPPDFL-GPANFISMSA-N 1 3 321.469 0.787 20 0 DCADHO C[C@@H](Nc1cncc(OCC[NH+]2CCCC2)n1)[C@@H]1CNCCO1 ZINC001170561936 763824844 /nfs/dbraw/zinc/82/48/44/763824844.db2.gz HJSNYDOEGWEFPH-KGLIPLIRSA-N 1 3 321.425 0.740 20 0 DCADHO C[C@@H](Nc1ccc(OCC[NH+]2CCCC2)nn1)[C@H]1CNCCO1 ZINC001170562370 763828380 /nfs/dbraw/zinc/82/83/80/763828380.db2.gz ITPABEYIIXWLDZ-ZIAGYGMSSA-N 1 3 321.425 0.740 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520446 763845407 /nfs/dbraw/zinc/84/54/07/763845407.db2.gz YCZDPGKPXPZILV-ISXOHVOVSA-N 1 3 316.405 0.151 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520446 763845415 /nfs/dbraw/zinc/84/54/15/763845415.db2.gz YCZDPGKPXPZILV-ISXOHVOVSA-N 1 3 316.405 0.151 20 0 DCADHO C[C@@H](Nc1ccc2c(C3C[NH2+]C3)ncn2c1)[C@H]1CNCCO1 ZINC001170566845 763853757 /nfs/dbraw/zinc/85/37/57/763853757.db2.gz HTFKHDGYCYKDGN-IAQYHMDHSA-N 1 3 301.394 0.810 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001580654866 1165675572 /nfs/dbraw/zinc/67/55/72/1165675572.db2.gz PABMYVYMAYGTKL-DGCLKSJQSA-N 1 3 323.359 0.491 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790996 764013977 /nfs/dbraw/zinc/01/39/77/764013977.db2.gz YMDSZOHMYSLOST-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790874 764014545 /nfs/dbraw/zinc/01/45/45/764014545.db2.gz XISXZHOKEPBZDM-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284125 764351918 /nfs/dbraw/zinc/35/19/18/764351918.db2.gz XBQBVZZZABBZPO-UHFFFAOYSA-N 1 3 307.442 0.809 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001132287567 764364823 /nfs/dbraw/zinc/36/48/23/764364823.db2.gz ZXRXHJNBIQCQFK-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047826 764507689 /nfs/dbraw/zinc/50/76/89/764507689.db2.gz UMINKJFYUBJYDY-MCIONIFRSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047826 764507695 /nfs/dbraw/zinc/50/76/95/764507695.db2.gz UMINKJFYUBJYDY-MCIONIFRSA-N 1 3 324.469 0.419 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001132738236 764617342 /nfs/dbraw/zinc/61/73/42/764617342.db2.gz XEDJWQIZYAHZSH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001132738236 764617344 /nfs/dbraw/zinc/61/73/44/764617344.db2.gz XEDJWQIZYAHZSH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001102514335 764676291 /nfs/dbraw/zinc/67/62/91/764676291.db2.gz UKVQRWUJGDRKLT-RBSFLKMASA-N 1 3 324.469 0.101 20 0 DCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001102514335 764676295 /nfs/dbraw/zinc/67/62/95/764676295.db2.gz UKVQRWUJGDRKLT-RBSFLKMASA-N 1 3 324.469 0.101 20 0 DCADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001133051279 764802735 /nfs/dbraw/zinc/80/27/35/764802735.db2.gz CEDAQHUOEBIMAA-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1nncn1C ZINC001133090291 764821556 /nfs/dbraw/zinc/82/15/56/764821556.db2.gz FVFYSWSFRNYVPJ-KBPBESRZSA-N 1 3 322.457 0.341 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1cn(C)nn1 ZINC001133091724 764823367 /nfs/dbraw/zinc/82/33/67/764823367.db2.gz UVVJLIBSHIRFOZ-KGLIPLIRSA-N 1 3 322.457 0.341 20 0 DCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCOCCO ZINC001133135030 764840210 /nfs/dbraw/zinc/84/02/10/764840210.db2.gz KNFQUQTZNJLOOR-KGLIPLIRSA-N 1 3 324.425 0.035 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285644 764905872 /nfs/dbraw/zinc/90/58/72/764905872.db2.gz BFADWBQUYNUBNK-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCCC[C@@H]1NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290976 764908981 /nfs/dbraw/zinc/90/89/81/764908981.db2.gz GRIIQROYIYXJDP-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC1CCCCC1 ZINC001133290772 764909057 /nfs/dbraw/zinc/90/90/57/764909057.db2.gz BDBJMRVMCZNRSU-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C(=O)CNCCNC(=O)CC[NH+](C)C)C(C)C ZINC001133294821 764911850 /nfs/dbraw/zinc/91/18/50/764911850.db2.gz VWQVEKPTARRVGA-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083771 764937836 /nfs/dbraw/zinc/93/78/36/764937836.db2.gz IRHWJDSDWCDFKQ-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083771 764937843 /nfs/dbraw/zinc/93/78/43/764937843.db2.gz IRHWJDSDWCDFKQ-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001133416022 764956724 /nfs/dbraw/zinc/95/67/24/764956724.db2.gz YWYNWOBCLGDTFU-CYBMUJFWSA-N 1 3 300.447 0.193 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)NCC(C)C)[NH+](CC)CC ZINC001133689990 765096085 /nfs/dbraw/zinc/09/60/85/765096085.db2.gz GGEGWNYFTHNRQP-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001133820014 765151369 /nfs/dbraw/zinc/15/13/69/765151369.db2.gz VRRYIDULWILXIR-MNOVXSKESA-N 1 3 311.348 0.490 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001133819735 765151458 /nfs/dbraw/zinc/15/14/58/765151458.db2.gz MZNOPLSMXZALIV-AWEZNQCLSA-N 1 3 305.422 0.869 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001133823648 765154306 /nfs/dbraw/zinc/15/43/06/765154306.db2.gz LDXVTWKDJGYJQE-VXGBXAGGSA-N 1 3 305.369 0.601 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001133824131 765168167 /nfs/dbraw/zinc/16/81/67/765168167.db2.gz YIPOIJXXARALGV-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCCO[C@H]2CCOC2)C1 ZINC001133850935 765170849 /nfs/dbraw/zinc/17/08/49/765170849.db2.gz RYKNDWDYBGJIRZ-GJZGRUSLSA-N 1 3 313.442 0.230 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001133846390 765180240 /nfs/dbraw/zinc/18/02/40/765180240.db2.gz ZXKQQVJBIJOTIU-RYUDHWBXSA-N 1 3 305.369 0.458 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001133846389 765180250 /nfs/dbraw/zinc/18/02/50/765180250.db2.gz ZXKQQVJBIJOTIU-NWDGAFQWSA-N 1 3 305.369 0.458 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133865235 765190173 /nfs/dbraw/zinc/19/01/73/765190173.db2.gz AXSHKYXSFPXOEL-OCCSQVGLSA-N 1 3 312.458 0.195 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133865235 765190179 /nfs/dbraw/zinc/19/01/79/765190179.db2.gz AXSHKYXSFPXOEL-OCCSQVGLSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133869523 765196726 /nfs/dbraw/zinc/19/67/26/765196726.db2.gz FYXUKDXOLRZXHV-IUODEOHRSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133869523 765196730 /nfs/dbraw/zinc/19/67/30/765196730.db2.gz FYXUKDXOLRZXHV-IUODEOHRSA-N 1 3 318.421 0.189 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccco1)N(C)C ZINC001133968179 765259989 /nfs/dbraw/zinc/25/99/89/765259989.db2.gz QRMUAQQBLLPCPW-OCCSQVGLSA-N 1 3 324.425 0.330 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968311 765260425 /nfs/dbraw/zinc/26/04/25/765260425.db2.gz VEBDVOIZCTVBSY-OCCSQVGLSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCC(C)C)N(C)C ZINC001133968526 765261731 /nfs/dbraw/zinc/26/17/31/765261731.db2.gz XWODGPXOBKWNPK-KGLIPLIRSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H](COCC(=O)NCCNCc1cccnc1)[NH+]1CCCC1 ZINC001134054401 765311874 /nfs/dbraw/zinc/31/18/74/765311874.db2.gz ICSKEWNNLAHSAL-HNNXBMFYSA-N 1 3 320.437 0.788 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112158889 765468259 /nfs/dbraw/zinc/46/82/59/765468259.db2.gz CORIRRBNZKCGAG-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001112425690 765531450 /nfs/dbraw/zinc/53/14/50/765531450.db2.gz XOZVOLOIMIEEDB-VBQJREDUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCCC1)c1nccn12 ZINC001092413476 768302935 /nfs/dbraw/zinc/30/29/35/768302935.db2.gz UOHDQBWRPGBNAC-AWEZNQCLSA-N 1 3 317.437 0.959 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001115119357 765596981 /nfs/dbraw/zinc/59/69/81/765596981.db2.gz VNACLXBWQSULOV-CBZIJGRNSA-N 1 3 321.465 0.801 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001115119357 765596988 /nfs/dbraw/zinc/59/69/88/765596988.db2.gz VNACLXBWQSULOV-CBZIJGRNSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN(C)C1CCC1 ZINC001134607288 765599565 /nfs/dbraw/zinc/59/95/65/765599565.db2.gz GKKGURXYKSMGRS-STQMWFEESA-N 1 3 322.457 0.672 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001115161527 765616511 /nfs/dbraw/zinc/61/65/11/765616511.db2.gz HLOQURFVHMAWTN-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001115161527 765616514 /nfs/dbraw/zinc/61/65/14/765616514.db2.gz HLOQURFVHMAWTN-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134772440 765665170 /nfs/dbraw/zinc/66/51/70/765665170.db2.gz DEHKLVSMBPAWAV-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780527 765671500 /nfs/dbraw/zinc/67/15/00/765671500.db2.gz KIRWKAOZGDESSP-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO OC[C@@H]1C[NH2+]C[C@@H]1Nc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001170780881 765734077 /nfs/dbraw/zinc/73/40/77/765734077.db2.gz IMUDZRFGKHIOBN-BPUTZDHNSA-N 1 3 316.405 0.592 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([N@H+](CCO)CC2CC2)CC1 ZINC001098488092 765817308 /nfs/dbraw/zinc/81/73/08/765817308.db2.gz FGSSLBAGWZHIPJ-UHFFFAOYSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([N@@H+](CCO)CC2CC2)CC1 ZINC001098488092 765817317 /nfs/dbraw/zinc/81/73/17/765817317.db2.gz FGSSLBAGWZHIPJ-UHFFFAOYSA-N 1 3 306.410 0.648 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C(C)C ZINC001135474320 765940168 /nfs/dbraw/zinc/94/01/68/765940168.db2.gz NEPOAGACHOTPGX-KGLIPLIRSA-N 1 3 314.474 0.535 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001135512877 765965967 /nfs/dbraw/zinc/96/59/67/765965967.db2.gz AOEJWRFGIMODIQ-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001135513520 765967475 /nfs/dbraw/zinc/96/74/75/765967475.db2.gz QNBKNPPHSFIXDP-CQSZACIVSA-N 1 3 301.431 0.230 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001135513312 765967602 /nfs/dbraw/zinc/96/76/02/765967602.db2.gz MEJUIYQVOUCRPP-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743607 766085343 /nfs/dbraw/zinc/08/53/43/766085343.db2.gz MXJTVFPYGIYNIH-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001135706346 766062177 /nfs/dbraw/zinc/06/21/77/766062177.db2.gz SSKDABXTYJPBSQ-ZIAGYGMSSA-N 1 3 303.447 0.210 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135977573 766197933 /nfs/dbraw/zinc/19/79/33/766197933.db2.gz VUXSCKVIRJLZPL-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO COc1cc(CN2CCOCC2)ccc1N[C@H](N)CCC[NH3+] ZINC001170902490 766251641 /nfs/dbraw/zinc/25/16/41/766251641.db2.gz DLVXAARATZOWII-INIZCTEOSA-N 1 3 308.426 0.963 20 0 DCADHO N[C@@H](CCC[NH3+])Nc1ccc(OCCN2CCOCC2)nc1 ZINC001170903211 766251827 /nfs/dbraw/zinc/25/18/27/766251827.db2.gz HXTVBIWEANIPGE-CQSZACIVSA-N 1 3 309.414 0.228 20 0 DCADHO CC[C@@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC001118198270 766253012 /nfs/dbraw/zinc/25/30/12/766253012.db2.gz UGLGFBOKDDFTPL-RHSMWYFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(CCCF)C[C@H]2O)CC1 ZINC001090619919 766386580 /nfs/dbraw/zinc/38/65/80/766386580.db2.gz AYEIVCOMZPLYOC-HUUCEWRRSA-N 1 3 315.433 0.629 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001119355333 766643130 /nfs/dbraw/zinc/64/31/30/766643130.db2.gz SPEBECUDASOBBB-KKUMJFAQSA-N 1 3 324.469 0.611 20 0 DCADHO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](O)C1 ZINC001090829598 766647283 /nfs/dbraw/zinc/64/72/83/766647283.db2.gz DHAGONPZVCPTIW-CVEARBPZSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](O)C1 ZINC001090829598 766647284 /nfs/dbraw/zinc/64/72/84/766647284.db2.gz DHAGONPZVCPTIW-CVEARBPZSA-N 1 3 305.422 0.933 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCOCCO)N(C)C ZINC001171509195 769312890 /nfs/dbraw/zinc/31/28/90/769312890.db2.gz MYAMNKIAVOJNNT-LSDHHAIUSA-N 1 3 317.474 0.600 20 0 DCADHO C[NH+]1CC2(CN(C(=O)[C@@H]3[C@H](O)CCN3Cc3ccccc3)C2)C1 ZINC001143669452 766693312 /nfs/dbraw/zinc/69/33/12/766693312.db2.gz HTQNVOHHDQRQFF-CVEARBPZSA-N 1 3 315.417 0.396 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001160426825 766706638 /nfs/dbraw/zinc/70/66/38/766706638.db2.gz JPJBYCKIXRMUQS-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120422058 767005286 /nfs/dbraw/zinc/00/52/86/767005286.db2.gz IRLMJYFPCVOAPB-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120422059 767005860 /nfs/dbraw/zinc/00/58/60/767005860.db2.gz IRLMJYFPCVOAPB-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001120633489 767099375 /nfs/dbraw/zinc/09/93/75/767099375.db2.gz KUBARDHFYOXPDX-QLFBSQMISA-N 1 3 312.458 0.745 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCNCc2cncn2C)CC1 ZINC001146356266 767441269 /nfs/dbraw/zinc/44/12/69/767441269.db2.gz SKMCIBBYMFLTQB-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@@H](O)C1CCCCC1 ZINC001149122880 767480558 /nfs/dbraw/zinc/48/05/58/767480558.db2.gz DHDSBTUWBGXLHX-OAHLLOKOSA-N 1 3 308.426 0.908 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001146603679 767488246 /nfs/dbraw/zinc/48/82/46/767488246.db2.gz YLGWBMRIYJWOCZ-KBPBESRZSA-N 1 3 310.446 0.491 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2)N(C)C ZINC001121267146 767489691 /nfs/dbraw/zinc/48/96/91/767489691.db2.gz GSCAAQDANRABMZ-LRYDMPLDSA-N 1 3 324.469 0.463 20 0 DCADHO CC[C@H]([NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1)C(N)=O ZINC001121798557 767636983 /nfs/dbraw/zinc/63/69/83/767636983.db2.gz PBSUIEUFKBMXEG-OEQALTSJSA-N 1 3 324.469 0.608 20 0 DCADHO CCCNC(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333599 767712070 /nfs/dbraw/zinc/71/20/70/767712070.db2.gz QQDGYLSIBXMZSV-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)c2cc3n(n2)CCC[C@H]3N)CC1 ZINC001122126965 767721042 /nfs/dbraw/zinc/72/10/42/767721042.db2.gz QOODDVUWKLGRQJ-CYBMUJFWSA-N 1 3 321.425 0.517 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC2(C1)CC[N@H+](CCOC)C2 ZINC001147646868 767804299 /nfs/dbraw/zinc/80/42/99/767804299.db2.gz HGTPIFUWWRFMDB-AWEZNQCLSA-N 1 3 315.433 0.847 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC2(C1)CC[N@@H+](CCOC)C2 ZINC001147646868 767804304 /nfs/dbraw/zinc/80/43/04/767804304.db2.gz HGTPIFUWWRFMDB-AWEZNQCLSA-N 1 3 315.433 0.847 20 0 DCADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001161051539 767822097 /nfs/dbraw/zinc/82/20/97/767822097.db2.gz VSHFIQNWJQOWSZ-KBPBESRZSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001161051539 767822106 /nfs/dbraw/zinc/82/21/06/767822106.db2.gz VSHFIQNWJQOWSZ-KBPBESRZSA-N 1 3 310.442 0.267 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC001202990892 768503850 /nfs/dbraw/zinc/50/38/50/768503850.db2.gz FPAGXMBPRPJIHA-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC001203005634 768513990 /nfs/dbraw/zinc/51/39/90/768513990.db2.gz SCQXWXPISKZZIE-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC001203005267 768514047 /nfs/dbraw/zinc/51/40/47/768514047.db2.gz OWTWZXLUNBWAHC-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001093673741 768687595 /nfs/dbraw/zinc/68/75/95/768687595.db2.gz VXYFIIUKHVEEHM-FMKPAKJESA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001093929677 768773265 /nfs/dbraw/zinc/77/32/65/768773265.db2.gz FGPGUIWYLYLWPA-MYPHYYIGSA-N 1 3 321.465 0.942 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1)N(C)C ZINC001094049300 768834337 /nfs/dbraw/zinc/83/43/37/768834337.db2.gz QKYNKLLVHJGDQO-FMKPAKJESA-N 1 3 321.469 0.944 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001094074549 768849585 /nfs/dbraw/zinc/84/95/85/768849585.db2.gz ITCRKJNSOUTNSJ-MGPQQGTHSA-N 1 3 306.410 0.673 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151043995 769244116 /nfs/dbraw/zinc/24/41/16/769244116.db2.gz KAYBTZHBXXCENP-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151043995 769244121 /nfs/dbraw/zinc/24/41/21/769244121.db2.gz KAYBTZHBXXCENP-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC(=O)Nc1cccc(CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001151048384 769244232 /nfs/dbraw/zinc/24/42/32/769244232.db2.gz ARALURZGLFPLPU-HNNXBMFYSA-N 1 3 318.421 0.803 20 0 DCADHO CC(=O)Nc1cccc(CNCCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001151048384 769244234 /nfs/dbraw/zinc/24/42/34/769244234.db2.gz ARALURZGLFPLPU-HNNXBMFYSA-N 1 3 318.421 0.803 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001171770683 769371687 /nfs/dbraw/zinc/37/16/87/769371687.db2.gz XKNHNMZBQPYXDS-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CS(=O)(=O)N1CCC(CN2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001206156398 769427001 /nfs/dbraw/zinc/42/70/01/769427001.db2.gz QMYXEVGILQZYLG-CHWSQXEVSA-N 1 3 307.435 0.419 20 0 DCADHO CC[C@H]([NH2+]CCNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001152245741 769514346 /nfs/dbraw/zinc/51/43/46/769514346.db2.gz LILBOGUOPPVMIT-AWEZNQCLSA-N 1 3 306.410 0.332 20 0 DCADHO COC[C@@H](O)C[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152393439 769546210 /nfs/dbraw/zinc/54/62/10/769546210.db2.gz NUINAYWBRDYSCQ-AWEZNQCLSA-N 1 3 309.410 0.075 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001152457110 769563982 /nfs/dbraw/zinc/56/39/82/769563982.db2.gz BTBJJGYYOQKKIE-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H]1C(=O)OC ZINC001173574627 769675358 /nfs/dbraw/zinc/67/53/58/769675358.db2.gz VVCMTKCYLQUHGK-QSLWVIQJSA-N 1 3 312.410 0.657 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H]1C(=O)OC ZINC001173574627 769675360 /nfs/dbraw/zinc/67/53/60/769675360.db2.gz VVCMTKCYLQUHGK-QSLWVIQJSA-N 1 3 312.410 0.657 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)C[C@@H]1C(=O)OC ZINC001173586927 769684171 /nfs/dbraw/zinc/68/41/71/769684171.db2.gz WBTWVPFKQGHYKM-BTTYYORXSA-N 1 3 324.421 0.755 20 0 DCADHO COC(=O)[C@@H]1C[C@H](N2CCC3(C[NH+](C)C3)CC2)C[C@@H]1C(=O)OC ZINC001173586927 769684177 /nfs/dbraw/zinc/68/41/77/769684177.db2.gz WBTWVPFKQGHYKM-BTTYYORXSA-N 1 3 324.421 0.755 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCOCC12CC[NH2+]CC2 ZINC001235129606 769765197 /nfs/dbraw/zinc/76/51/97/769765197.db2.gz QQPKDLYLKHOQTO-UHFFFAOYSA-N 1 3 308.451 0.743 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCc1ccnn1C ZINC001174683152 769778111 /nfs/dbraw/zinc/77/81/11/769778111.db2.gz PAXOONJFUCGDNR-UHFFFAOYSA-N 1 3 304.398 0.333 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001174691963 769781405 /nfs/dbraw/zinc/78/14/05/769781405.db2.gz NYUCBMDTTGRIAS-CYBMUJFWSA-N 1 3 321.425 0.273 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F ZINC001174692047 769781883 /nfs/dbraw/zinc/78/18/83/769781883.db2.gz QZWLVSQDDSRXAW-LBPRGKRZSA-N 1 3 316.352 0.781 20 0 DCADHO NCC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001235616104 769912198 /nfs/dbraw/zinc/91/21/98/769912198.db2.gz OKNVCBVYFMWSKE-SOUVJXGZSA-N 1 3 304.394 0.107 20 0 DCADHO NCC[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001235616104 769912205 /nfs/dbraw/zinc/91/22/05/769912205.db2.gz OKNVCBVYFMWSKE-SOUVJXGZSA-N 1 3 304.394 0.107 20 0 DCADHO C[C@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC001235660224 769927696 /nfs/dbraw/zinc/92/76/96/769927696.db2.gz LCYMSPLVKCDUED-PWNZVWSESA-N 1 3 307.394 0.694 20 0 DCADHO C[C@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC001235660224 769927699 /nfs/dbraw/zinc/92/76/99/769927699.db2.gz LCYMSPLVKCDUED-PWNZVWSESA-N 1 3 307.394 0.694 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H]1CCNC1=O ZINC001175769631 769959565 /nfs/dbraw/zinc/95/95/65/769959565.db2.gz SLSUIALZGCNUKY-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO COC(=O)[C@@H]1CNCCN1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001236052968 769972510 /nfs/dbraw/zinc/97/25/10/769972510.db2.gz MEODZIZDJDPYGT-IRXDYDNUSA-N 1 3 317.433 0.955 20 0 DCADHO COC(=O)[C@@H]1CNCCN1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001236052968 769972517 /nfs/dbraw/zinc/97/25/17/769972517.db2.gz MEODZIZDJDPYGT-IRXDYDNUSA-N 1 3 317.433 0.955 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001176022538 770002904 /nfs/dbraw/zinc/00/29/04/770002904.db2.gz BKUXCJDQIUEHNV-CQSZACIVSA-N 1 3 324.473 0.922 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1cn(C)nn1 ZINC001176022538 770002913 /nfs/dbraw/zinc/00/29/13/770002913.db2.gz BKUXCJDQIUEHNV-CQSZACIVSA-N 1 3 324.473 0.922 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)CN2CCCC2)nn1 ZINC001176103272 770036255 /nfs/dbraw/zinc/03/62/55/770036255.db2.gz VJUATEIBCHIGSN-UHFFFAOYSA-N 1 3 307.398 0.177 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+]Cc1ccon1 ZINC001176162443 770050351 /nfs/dbraw/zinc/05/03/51/770050351.db2.gz WJIIBPBTBWXMFK-CYBMUJFWSA-N 1 3 310.398 0.239 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCNC1=O ZINC001176286933 770061205 /nfs/dbraw/zinc/06/12/05/770061205.db2.gz ZRVCESLBIQNKDX-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cccs1 ZINC001238225403 770107409 /nfs/dbraw/zinc/10/74/09/770107409.db2.gz BQMLALGPHQHTBP-NSHDSACASA-N 1 3 315.464 0.901 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001238228756 770107756 /nfs/dbraw/zinc/10/77/56/770107756.db2.gz OCWQXLJRFSVYED-CYBMUJFWSA-N 1 3 309.435 0.839 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001238228756 770107764 /nfs/dbraw/zinc/10/77/64/770107764.db2.gz OCWQXLJRFSVYED-CYBMUJFWSA-N 1 3 309.435 0.839 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccncc1 ZINC001238239034 770108903 /nfs/dbraw/zinc/10/89/03/770108903.db2.gz BIXCPWKRIUDALR-GFCCVEGCSA-N 1 3 310.423 0.234 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccncc1 ZINC001238239034 770108907 /nfs/dbraw/zinc/10/89/07/770108907.db2.gz BIXCPWKRIUDALR-GFCCVEGCSA-N 1 3 310.423 0.234 20 0 DCADHO COc1cccc(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238878339 770139746 /nfs/dbraw/zinc/13/97/46/770139746.db2.gz CWUFBTPFDPAZAM-UHFFFAOYSA-N 1 3 301.412 0.302 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753232 770169139 /nfs/dbraw/zinc/16/91/39/770169139.db2.gz DBISTLMBKLTGBS-GJZGRUSLSA-N 1 3 317.474 0.599 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCNCc1nccn1C ZINC001176844850 770214360 /nfs/dbraw/zinc/21/43/60/770214360.db2.gz OCJJJMCIHRXSJD-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO CN1CCC(NC(=O)c2ccc(C3=CC[NH2+]CC3)nn2)CC1 ZINC001240466523 770246164 /nfs/dbraw/zinc/24/61/64/770246164.db2.gz NAFCAPNEBIYBEU-UHFFFAOYSA-N 1 3 301.394 0.677 20 0 DCADHO COc1nccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)n1 ZINC001176972391 770264838 /nfs/dbraw/zinc/26/48/38/770264838.db2.gz ZCXJEXQJCRXFRX-UHFFFAOYSA-N 1 3 309.414 0.421 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccnn1C ZINC001176986908 770274512 /nfs/dbraw/zinc/27/45/12/770274512.db2.gz YFISWLNXCCETQO-HNNXBMFYSA-N 1 3 307.442 0.890 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCCCN2CC)C1=O ZINC001176991487 770280185 /nfs/dbraw/zinc/28/01/85/770280185.db2.gz CHWUHHCFHWNUPM-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001176991810 770281847 /nfs/dbraw/zinc/28/18/47/770281847.db2.gz FBEACUPGSUZNMX-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226058 770439217 /nfs/dbraw/zinc/43/92/17/770439217.db2.gz GBKQHKGMIMIGHZ-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226058 770439220 /nfs/dbraw/zinc/43/92/20/770439220.db2.gz GBKQHKGMIMIGHZ-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)CN(CC)CC)CC1)C(N)=O ZINC001206653603 770443703 /nfs/dbraw/zinc/44/37/03/770443703.db2.gz IKGLILLFOSYZRQ-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCn1cncn1)N(C)C ZINC001155289040 770462444 /nfs/dbraw/zinc/46/24/44/770462444.db2.gz HPANESPBDNPSBN-KGLIPLIRSA-N 1 3 310.446 0.445 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCn1cncn1)N(C)C ZINC001155289040 770462448 /nfs/dbraw/zinc/46/24/48/770462448.db2.gz HPANESPBDNPSBN-KGLIPLIRSA-N 1 3 310.446 0.445 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179435160 771004359 /nfs/dbraw/zinc/00/43/59/771004359.db2.gz LSNLOQHFTIPRNE-IHRRRGAJSA-N 1 3 322.453 0.138 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H]1C ZINC001179748708 771010699 /nfs/dbraw/zinc/01/06/99/771010699.db2.gz GETPIZYFJXQSKT-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925253 771035135 /nfs/dbraw/zinc/03/51/35/771035135.db2.gz MLVXRPKMSDGRCR-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925253 771035142 /nfs/dbraw/zinc/03/51/42/771035142.db2.gz MLVXRPKMSDGRCR-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180125006 771066475 /nfs/dbraw/zinc/06/64/75/771066475.db2.gz YRUXNZKHDSZJHW-IHRRRGAJSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180125006 771066477 /nfs/dbraw/zinc/06/64/77/771066477.db2.gz YRUXNZKHDSZJHW-IHRRRGAJSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C ZINC001180222857 771076061 /nfs/dbraw/zinc/07/60/61/771076061.db2.gz VIOBTPADHBVQNQ-ZFWWWQNUSA-N 1 3 307.442 0.839 20 0 DCADHO C[NH+](C)CCCOc1ccc(CN2C[C@@H](O)[C@H](CO)C2)cc1 ZINC001204263888 771081634 /nfs/dbraw/zinc/08/16/34/771081634.db2.gz PBYLXBNBZIMXPP-DOTOQJQBSA-N 1 3 308.422 0.802 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181651771 771326933 /nfs/dbraw/zinc/32/69/33/771326933.db2.gz GREIVRNABKRJPY-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181652886 771326985 /nfs/dbraw/zinc/32/69/85/771326985.db2.gz RELQUKDWZCEVCD-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001151066144 771358529 /nfs/dbraw/zinc/35/85/29/771358529.db2.gz QUUVRYFFNZOHSR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001151066144 771358537 /nfs/dbraw/zinc/35/85/37/771358537.db2.gz QUUVRYFFNZOHSR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO N=C(NCCCC[NH3+])Nc1ncccc1C(=O)N1CCCC1 ZINC001157094168 771533236 /nfs/dbraw/zinc/53/32/36/771533236.db2.gz LPINCEPYLPLDGE-UHFFFAOYSA-N 1 3 304.398 0.993 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001183240525 771628014 /nfs/dbraw/zinc/62/80/14/771628014.db2.gz JKFDFLXNDDYAFH-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001183240525 771628021 /nfs/dbraw/zinc/62/80/21/771628021.db2.gz JKFDFLXNDDYAFH-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])CN2)[C@@H](C)CN1Cc1ccccc1 ZINC001157615139 771641888 /nfs/dbraw/zinc/64/18/88/771641888.db2.gz AAUXXLTXKAPHFI-OHFALNGGSA-N 1 3 316.449 0.797 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@H](N)C[NH2+]2)[C@@H](C)CN1Cc1ccccc1 ZINC001157615139 771641890 /nfs/dbraw/zinc/64/18/90/771641890.db2.gz AAUXXLTXKAPHFI-OHFALNGGSA-N 1 3 316.449 0.797 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1 ZINC001157716964 771657779 /nfs/dbraw/zinc/65/77/79/771657779.db2.gz VHZVCEFHQVPPRO-DCAQKATOSA-N 1 3 309.332 0.364 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1csc([C@@H]2CCCN2)n1 ZINC001157721418 771659228 /nfs/dbraw/zinc/65/92/28/771659228.db2.gz XOVFJJFJMIAFGR-QWRGUYRKSA-N 1 3 310.423 0.628 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1csc([C@H]2CCCN2)n1 ZINC001157721419 771659404 /nfs/dbraw/zinc/65/94/04/771659404.db2.gz XOVFJJFJMIAFGR-WDEREUQCSA-N 1 3 310.423 0.628 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157752966 771663855 /nfs/dbraw/zinc/66/38/55/771663855.db2.gz BHLNQOZOJYFVJU-WHOFXGATSA-N 1 3 316.421 0.156 20 0 DCADHO CN(Cc1cnc(Cl)s1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157853717 771681194 /nfs/dbraw/zinc/68/11/94/771681194.db2.gz MCNDFFKSMYOSAC-NOZJJQNGSA-N 1 3 314.842 0.954 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900718 771690018 /nfs/dbraw/zinc/69/00/18/771690018.db2.gz PLFBRVAJYQZOML-RYUDHWBXSA-N 1 3 317.380 0.337 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900718 771690020 /nfs/dbraw/zinc/69/00/20/771690020.db2.gz PLFBRVAJYQZOML-RYUDHWBXSA-N 1 3 317.380 0.337 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157925270 771694751 /nfs/dbraw/zinc/69/47/51/771694751.db2.gz LGUVJWAKVPRHPY-ATZCPNFKSA-N 1 3 315.311 0.307 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001183765198 771698644 /nfs/dbraw/zinc/69/86/44/771698644.db2.gz PRRGEZKBVPEFHG-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001183765198 771698648 /nfs/dbraw/zinc/69/86/48/771698648.db2.gz PRRGEZKBVPEFHG-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)(C(=O)NCCC[NH2+][C@@H]1CCCNC1=O)N1CCCCC1 ZINC001158074307 771721899 /nfs/dbraw/zinc/72/18/99/771721899.db2.gz ZFDGXDICBSUGFL-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158082787 771723350 /nfs/dbraw/zinc/72/33/50/771723350.db2.gz RKHZTIKLFBNMFC-UHFFFAOYSA-N 1 3 321.446 0.988 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170444 771733788 /nfs/dbraw/zinc/73/37/88/771733788.db2.gz ZMBJXDCUISMSRA-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197222 771739135 /nfs/dbraw/zinc/73/91/35/771739135.db2.gz TZRATVDLGXAJAM-HNNXBMFYSA-N 1 3 317.437 0.723 20 0 DCADHO N[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CCc2cc(F)ccc2C1 ZINC001158208631 771741711 /nfs/dbraw/zinc/74/17/11/771741711.db2.gz VQERQZCQQPFFKN-ZMSDIMECSA-N 1 3 303.381 0.975 20 0 DCADHO NC[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569300 771791397 /nfs/dbraw/zinc/79/13/97/771791397.db2.gz XRODNUNTCYBMHB-PMPSAXMXSA-N 1 3 302.422 0.395 20 0 DCADHO NC[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158569300 771791400 /nfs/dbraw/zinc/79/14/00/771791400.db2.gz XRODNUNTCYBMHB-PMPSAXMXSA-N 1 3 302.422 0.395 20 0 DCADHO CCOC(=O)C1(Nc2ncc3c(n2)CNC3)CCN(C)CC1 ZINC001158572786 771791510 /nfs/dbraw/zinc/79/15/10/771791510.db2.gz ZVSKHGUDIFHXJG-UHFFFAOYSA-N 1 3 305.382 0.519 20 0 DCADHO CCOC(=O)C1(Nc2ncc3c(n2)CNC3)CC[NH+](C)CC1 ZINC001158572786 771791515 /nfs/dbraw/zinc/79/15/15/771791515.db2.gz ZVSKHGUDIFHXJG-UHFFFAOYSA-N 1 3 305.382 0.519 20 0 DCADHO CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249075 771888839 /nfs/dbraw/zinc/88/88/39/771888839.db2.gz MWKIUAUICUZENF-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436707 771909408 /nfs/dbraw/zinc/90/94/08/771909408.db2.gz TVSLXRZHTJLXHH-BYNSBNAKSA-N 1 3 311.426 0.238 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401894 771911722 /nfs/dbraw/zinc/91/17/22/771911722.db2.gz YKOWQLPGZLRGRH-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC(C)(C)C)C1 ZINC001185416359 771917442 /nfs/dbraw/zinc/91/74/42/771917442.db2.gz TWAZVSFDLSQKJL-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1)[NH+](CC)CC ZINC001185609740 771935165 /nfs/dbraw/zinc/93/51/65/771935165.db2.gz NRBRCBKYOSLCTI-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001185659348 771941487 /nfs/dbraw/zinc/94/14/87/771941487.db2.gz HDTSQERRECYPSS-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185722836 771949336 /nfs/dbraw/zinc/94/93/36/771949336.db2.gz BBDQPPPGQTVGAF-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185724428 771949880 /nfs/dbraw/zinc/94/98/80/771949880.db2.gz ZDNUKEOSXDXHGZ-KGLIPLIRSA-N 1 3 315.458 0.162 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854842 771969049 /nfs/dbraw/zinc/96/90/49/771969049.db2.gz ULOYUPRLENZISB-UHFFFAOYSA-N 1 3 322.457 0.687 20 0 DCADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001159863332 771969624 /nfs/dbraw/zinc/96/96/24/771969624.db2.gz RWJDMWCCDZIVDX-ZIAGYGMSSA-N 1 3 322.453 0.030 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159917487 771976303 /nfs/dbraw/zinc/97/63/03/771976303.db2.gz XMEAHQFRYIYWFU-DOMZBBRYSA-N 1 3 312.458 0.337 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001185926595 771976868 /nfs/dbraw/zinc/97/68/68/771976868.db2.gz XWYGLDGXKHIGBM-PWSUYJOCSA-N 1 3 314.336 0.567 20 0 DCADHO O=C(N1CCC2(C[C@@H](F)CO2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160786552 772111251 /nfs/dbraw/zinc/11/12/51/772111251.db2.gz FPWISHIZDWZEFV-XJKCOSOUSA-N 1 3 311.401 0.305 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C2 ZINC001160790942 772112236 /nfs/dbraw/zinc/11/22/36/772112236.db2.gz UIWIXEUHFBJPIV-OEUWWYETSA-N 1 3 323.437 0.184 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106824 772131543 /nfs/dbraw/zinc/13/15/43/772131543.db2.gz MWOODGPBRHOHBG-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106824 772131547 /nfs/dbraw/zinc/13/15/47/772131547.db2.gz MWOODGPBRHOHBG-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971681 772145111 /nfs/dbraw/zinc/14/51/11/772145111.db2.gz LSOXOWFGMJTIAR-NXEZZACHSA-N 1 3 321.368 0.631 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001187298326 772170754 /nfs/dbraw/zinc/17/07/54/772170754.db2.gz BQTPRNDUFUQJFB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001187298326 772170758 /nfs/dbraw/zinc/17/07/58/772170758.db2.gz BQTPRNDUFUQJFB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])C(=O)c1cncc2c1CCNC2 ZINC001161158948 772179014 /nfs/dbraw/zinc/17/90/14/772179014.db2.gz QZGQTIKCQLEOIZ-UHFFFAOYSA-N 1 3 320.393 0.081 20 0 DCADHO N[C@@H](C(=O)N1CCC[C@@H](Oc2ncccn2)C1)C1CC[NH2+]CC1 ZINC001161295087 772198178 /nfs/dbraw/zinc/19/81/78/772198178.db2.gz FPINCYKOAMAXRV-ZIAGYGMSSA-N 1 3 319.409 0.173 20 0 DCADHO N[C@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC001161411831 772218725 /nfs/dbraw/zinc/21/87/25/772218725.db2.gz BESDHCVFUIYIIL-TUVASFSCSA-N 1 3 323.437 0.443 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161411909 772219698 /nfs/dbraw/zinc/21/96/98/772219698.db2.gz CHTZOGYRWYMLOF-RVMXOQNASA-N 1 3 311.426 0.502 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430936 772222777 /nfs/dbraw/zinc/22/27/77/772222777.db2.gz QJYFGCGTABTMGU-QGZVFWFLSA-N 1 3 316.449 0.671 20 0 DCADHO CN1C(=O)CC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC[C@H]21 ZINC001161480904 772231362 /nfs/dbraw/zinc/23/13/62/772231362.db2.gz BRSNSAFUEHAEDN-SOUVJXGZSA-N 1 3 324.469 0.515 20 0 DCADHO CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834986 772231514 /nfs/dbraw/zinc/23/15/14/772231514.db2.gz LSTMOICKSKPCEK-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001188158513 772277486 /nfs/dbraw/zinc/27/74/86/772277486.db2.gz RCLLZZAPHOVLNY-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(NCCC[NH2+]CCC1CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872300 772427121 /nfs/dbraw/zinc/42/71/21/772427121.db2.gz NHLIJHCMWJMXDG-ISXOHVOVSA-N 1 3 307.438 0.746 20 0 DCADHO CN(C)Cc1ccc(NCc2nnn3c2C[NH2+]CCC3)nc1 ZINC001162973405 772438265 /nfs/dbraw/zinc/43/82/65/772438265.db2.gz KJJRYPUXPMUPSA-UHFFFAOYSA-N 1 3 301.398 0.840 20 0 DCADHO CCOC(=O)c1cnc(NC(=N)NCC[NH+](CC)CC)cn1 ZINC001163126027 772468021 /nfs/dbraw/zinc/46/80/21/772468021.db2.gz NJAFLESZLPFDJV-UHFFFAOYSA-N 1 3 308.386 0.931 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cccc(S(N)(=O)=O)n1 ZINC001163130133 772469505 /nfs/dbraw/zinc/46/95/05/772469505.db2.gz WNQYQSYYLGIFQL-UHFFFAOYSA-N 1 3 314.415 0.007 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)n1 ZINC001163223645 772484901 /nfs/dbraw/zinc/48/49/01/772484901.db2.gz LYOWLPWHBJVONP-INIZCTEOSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163821515 772577279 /nfs/dbraw/zinc/57/72/79/772577279.db2.gz MTEHGPXGVXHHBJ-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@H]3CCCN3C)CC2)C1=O ZINC001163821227 772577293 /nfs/dbraw/zinc/57/72/93/772577293.db2.gz LYOUBOWLSJNEBO-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccnn2C)CC1 ZINC001163821270 772577661 /nfs/dbraw/zinc/57/76/61/772577661.db2.gz MJPSMOWJLDPDTE-OAHLLOKOSA-N 1 3 319.453 0.890 20 0 DCADHO CN1CCC(CNc2ncnc3c2CNCC3)([NH+](C)C)CC1 ZINC001164206850 772625813 /nfs/dbraw/zinc/62/58/13/772625813.db2.gz HMPGBBNLVSCVBZ-UHFFFAOYSA-N 1 3 304.442 0.560 20 0 DCADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)C1CCC1 ZINC001190674727 772661836 /nfs/dbraw/zinc/66/18/36/772661836.db2.gz CKAGIEWPODKGBJ-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)C1CCC1 ZINC001190674727 772661840 /nfs/dbraw/zinc/66/18/40/772661840.db2.gz CKAGIEWPODKGBJ-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2CN(C(C)C)CCO2)co1 ZINC001164536042 772675502 /nfs/dbraw/zinc/67/55/02/772675502.db2.gz LFTMKXFIDDVUDN-HNNXBMFYSA-N 1 3 324.425 0.688 20 0 DCADHO Cc1nc(N(C)C)cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)n1 ZINC001165345301 772725905 /nfs/dbraw/zinc/72/59/05/772725905.db2.gz WAAGKBSDTBCJTQ-INIZCTEOSA-N 1 3 321.425 0.436 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464465 772740699 /nfs/dbraw/zinc/74/06/99/772740699.db2.gz DVXAGWXJCCFACN-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001166627091 772831373 /nfs/dbraw/zinc/83/13/73/772831373.db2.gz PSALGAMNAVZKBR-QWHCGFSZSA-N 1 3 319.396 0.991 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)CN2CCC[C@H]2C)C1=O ZINC001166627126 772831497 /nfs/dbraw/zinc/83/14/97/772831497.db2.gz QLUUUJWZFHPESQ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633868 772831891 /nfs/dbraw/zinc/83/18/91/772831891.db2.gz LWAANRHEPGHWTB-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)nn1 ZINC001166634869 772832995 /nfs/dbraw/zinc/83/29/95/772832995.db2.gz WUIBYYLOQHEFCT-ZDUSSCGKSA-N 1 3 321.425 0.565 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001166678559 772839743 /nfs/dbraw/zinc/83/97/43/772839743.db2.gz WISUFENLYCFMTA-CABCVRRESA-N 1 3 324.469 0.340 20 0 DCADHO COc1cc(CNCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)on1 ZINC001166678895 772840487 /nfs/dbraw/zinc/84/04/87/772840487.db2.gz YKCLCWFFKMSWEX-GFCCVEGCSA-N 1 3 310.398 0.621 20 0 DCADHO COc1cc(CNCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)on1 ZINC001166678895 772840491 /nfs/dbraw/zinc/84/04/91/772840491.db2.gz YKCLCWFFKMSWEX-GFCCVEGCSA-N 1 3 310.398 0.621 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166691784 772842279 /nfs/dbraw/zinc/84/22/79/772842279.db2.gz NBQFFTCHENCOED-OCCSQVGLSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166691784 772842281 /nfs/dbraw/zinc/84/22/81/772842281.db2.gz NBQFFTCHENCOED-OCCSQVGLSA-N 1 3 305.426 0.579 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC001166707911 772846035 /nfs/dbraw/zinc/84/60/35/772846035.db2.gz KHEJZHPQYVSTRM-BBRMVZONSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC001166707911 772846038 /nfs/dbraw/zinc/84/60/38/772846038.db2.gz KHEJZHPQYVSTRM-BBRMVZONSA-N 1 3 320.437 0.884 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)nn1C ZINC001166709445 772846280 /nfs/dbraw/zinc/84/62/80/772846280.db2.gz ZVGNYLASWMCLOM-DOMZBBRYSA-N 1 3 307.442 0.522 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)nn1C ZINC001166709445 772846287 /nfs/dbraw/zinc/84/62/87/772846287.db2.gz ZVGNYLASWMCLOM-DOMZBBRYSA-N 1 3 307.442 0.522 20 0 DCADHO CN(CC(=O)NCCC[NH2+]Cc1cnnn1C)CC(C)(C)C ZINC001166744413 772855808 /nfs/dbraw/zinc/85/58/08/772855808.db2.gz VRRMLGTWKAFUOX-UHFFFAOYSA-N 1 3 310.446 0.389 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCOC[C@H]1CCCO1)N(C)C ZINC001166851463 772870730 /nfs/dbraw/zinc/87/07/30/772870730.db2.gz AXYFHBDYNJHKTA-CABCVRRESA-N 1 3 315.458 0.618 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001166852193 772870917 /nfs/dbraw/zinc/87/09/17/772870917.db2.gz NLAHNJIMIXZZSF-KBPBESRZSA-N 1 3 314.474 0.678 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001192343735 772907538 /nfs/dbraw/zinc/90/75/38/772907538.db2.gz QJEFWEPLCIYVIW-GJZGRUSLSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001192343735 772907541 /nfs/dbraw/zinc/90/75/41/772907541.db2.gz QJEFWEPLCIYVIW-GJZGRUSLSA-N 1 3 313.442 0.012 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203790985 772924509 /nfs/dbraw/zinc/92/45/09/772924509.db2.gz BFCNTWAJZFOLPT-UONOGXRCSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC001203925622 772929845 /nfs/dbraw/zinc/92/98/45/772929845.db2.gz TXYZKSNKRIBVPI-UHFFFAOYSA-N 1 3 307.442 0.804 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1)C(N)=O ZINC001205516123 772997579 /nfs/dbraw/zinc/99/75/79/772997579.db2.gz PIHYSXAFSKTZDE-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)CC[N@@H+]1C ZINC001193103347 773006170 /nfs/dbraw/zinc/00/61/70/773006170.db2.gz YZIISDZQALNESF-KBUPBQIOSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)CC[N@H+]1C ZINC001193103347 773006173 /nfs/dbraw/zinc/00/61/73/773006173.db2.gz YZIISDZQALNESF-KBUPBQIOSA-N 1 3 315.433 0.628 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274846 773061433 /nfs/dbraw/zinc/06/14/33/773061433.db2.gz LQUKRNYUIRFNFC-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)N(C)C ZINC001206409056 773074087 /nfs/dbraw/zinc/07/40/87/773074087.db2.gz CUOCAOSLHAXXEO-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)N(C)C ZINC001206409055 773074231 /nfs/dbraw/zinc/07/42/31/773074231.db2.gz CUOCAOSLHAXXEO-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO Cn1ncc(C(=O)N(CCCC[NH3+])C(=N)N)c1C(F)(F)F ZINC001193682550 773101290 /nfs/dbraw/zinc/10/12/90/773101290.db2.gz SBAKDTVHMCTCDN-UHFFFAOYSA-N 1 3 306.292 0.513 20 0 DCADHO COC(CN1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1)OC ZINC001207247725 773185098 /nfs/dbraw/zinc/18/50/98/773185098.db2.gz ANILTZLZLCOVPE-UHFFFAOYSA-N 1 3 323.437 0.429 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001207687247 773270268 /nfs/dbraw/zinc/27/02/68/773270268.db2.gz BNXYFYUYWMENTG-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N1CCN(CCC[NH2+][C@@H](CO)[C@H]2CCCOC2)CC1 ZINC001195137338 773334336 /nfs/dbraw/zinc/33/43/36/773334336.db2.gz SEYJDUAKTXMCKC-IRXDYDNUSA-N 1 3 313.486 0.780 20 0 DCADHO COC(=O)CNC(=O)[C@@H]1CCCN1CC1(C)CC[NH+](C)CC1 ZINC001208112671 773401442 /nfs/dbraw/zinc/40/14/42/773401442.db2.gz WXPBBDBOBFOUCI-ZDUSSCGKSA-N 1 3 311.426 0.472 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339548 773436606 /nfs/dbraw/zinc/43/66/06/773436606.db2.gz BKCWKDDSSSBYLL-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208359370 773442805 /nfs/dbraw/zinc/44/28/05/773442805.db2.gz SUXAVFFVSLRPGD-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208359370 773442809 /nfs/dbraw/zinc/44/28/09/773442809.db2.gz SUXAVFFVSLRPGD-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001208414850 773456546 /nfs/dbraw/zinc/45/65/46/773456546.db2.gz YUUSHBOPJKZJNJ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001209312926 773589090 /nfs/dbraw/zinc/58/90/90/773589090.db2.gz BKLIOHMQIXVXSM-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001209322866 773591379 /nfs/dbraw/zinc/59/13/79/773591379.db2.gz AJBGORLQLOZEBP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407837 773601884 /nfs/dbraw/zinc/60/18/84/773601884.db2.gz GCHSUVJOMJVSQL-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209483768 773609126 /nfs/dbraw/zinc/60/91/26/773609126.db2.gz BNLHWDSEVUGCMF-RBSFLKMASA-N 1 3 315.458 0.161 20 0 DCADHO CC[NH+](CC)CCCNC(=S)N1CCOC[C@H]1CN(C)C ZINC001196678712 773625776 /nfs/dbraw/zinc/62/57/76/773625776.db2.gz JAGYVOSRJHRIBC-CQSZACIVSA-N 1 3 316.515 0.855 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209940050 773661143 /nfs/dbraw/zinc/66/11/43/773661143.db2.gz JIUVEDGUNNJXRY-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951155 773662205 /nfs/dbraw/zinc/66/22/05/773662205.db2.gz JFZWOMVANBKZOU-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001210220891 773687288 /nfs/dbraw/zinc/68/72/88/773687288.db2.gz YKHJNGCJYNBPKV-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001210493405 773714081 /nfs/dbraw/zinc/71/40/81/773714081.db2.gz KXJRBTSJDGHUTP-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001210493405 773714084 /nfs/dbraw/zinc/71/40/84/773714084.db2.gz KXJRBTSJDGHUTP-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211065011 773765321 /nfs/dbraw/zinc/76/53/21/773765321.db2.gz RJOXOWNIKDOORS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065011 773765327 /nfs/dbraw/zinc/76/53/27/773765327.db2.gz RJOXOWNIKDOORS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001211270268 773788501 /nfs/dbraw/zinc/78/85/01/773788501.db2.gz ZHMGTBGULOJIBR-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197793041 773801604 /nfs/dbraw/zinc/80/16/04/773801604.db2.gz XAUZCRQECPVSFU-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197793041 773801611 /nfs/dbraw/zinc/80/16/11/773801611.db2.gz XAUZCRQECPVSFU-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CO[C@@H]1CN(CCC2CC2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342359 773835687 /nfs/dbraw/zinc/83/56/87/773835687.db2.gz SSZXZMLMVAFRFC-HUUCEWRRSA-N 1 3 309.454 0.944 20 0 DCADHO COCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378040 773839464 /nfs/dbraw/zinc/83/94/64/773839464.db2.gz BXBAEWYFFITCRC-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213678448 773874823 /nfs/dbraw/zinc/87/48/23/773874823.db2.gz WZZGPXCNJUXRCU-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213678448 773874828 /nfs/dbraw/zinc/87/48/28/773874828.db2.gz WZZGPXCNJUXRCU-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445712 773906758 /nfs/dbraw/zinc/90/67/58/773906758.db2.gz NTKZVNYWKGOADT-ZDUSSCGKSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215004295 774032775 /nfs/dbraw/zinc/03/27/75/774032775.db2.gz ZEAFFXPCEPPSPZ-TZMCWYRMSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001215004295 774032784 /nfs/dbraw/zinc/03/27/84/774032784.db2.gz ZEAFFXPCEPPSPZ-TZMCWYRMSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)N(C)C ZINC001215056694 774037571 /nfs/dbraw/zinc/03/75/71/774037571.db2.gz BLJCJDJZDIFOPL-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421955 774072086 /nfs/dbraw/zinc/07/20/86/774072086.db2.gz SABRPESKKKVUEG-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001216844550 774142412 /nfs/dbraw/zinc/14/24/12/774142412.db2.gz DUWGOOSAMJYBKQ-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846487 774142588 /nfs/dbraw/zinc/14/25/88/774142588.db2.gz HQMWBMQUNUTHKD-FMKPAKJESA-N 1 3 324.469 0.289 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852232 774143196 /nfs/dbraw/zinc/14/31/96/774143196.db2.gz SKEIEVLCJRREGO-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1noc2nc(O[C@@H]3CN4C[C@H]3[NH2+]CC4)c3c(c12)CCNC3 ZINC001218109040 774213392 /nfs/dbraw/zinc/21/33/92/774213392.db2.gz QDSSLVROSVJVTD-CHWSQXEVSA-N 1 3 315.377 0.212 20 0 DCADHO O=C(Nc1ccncc1C(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001218497476 774228436 /nfs/dbraw/zinc/22/84/36/774228436.db2.gz MRJKDZFJHJWJDG-VIFPVBQESA-N 1 3 300.284 0.270 20 0 DCADHO Cc1cc2c(ncnc2NC(=O)[C@@H]2C[NH2+]CC23CNC3)s1 ZINC001218501488 774229575 /nfs/dbraw/zinc/22/95/75/774229575.db2.gz MAPHXEJHKYZONG-JTQLQIEISA-N 1 3 303.391 0.747 20 0 DCADHO N[C@@H]1C[NH2+][C@H](C(=O)Nc2n[nH]c3ccc(Br)cc32)C1 ZINC001218506458 774231082 /nfs/dbraw/zinc/23/10/82/774231082.db2.gz RLKMSIRVTLNHNK-XVKPBYJWSA-N 1 3 324.182 0.953 20 0 DCADHO Cn1ncc2c1ncnc2NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218557619 774247066 /nfs/dbraw/zinc/24/70/66/774247066.db2.gz UVCHDFOBVMLYDQ-NSHDSACASA-N 1 3 305.386 0.361 20 0 DCADHO O=C(Nc1cnn(C2CCOCC2)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218587239 774256352 /nfs/dbraw/zinc/25/63/52/774256352.db2.gz ACGOJUDFRIHPQX-MLGOLLRUSA-N 1 3 319.409 0.372 20 0 DCADHO COC(=O)c1c[nH]c2ncc(NC(=O)[C@H](N)CCC[NH3+])cc12 ZINC001218613801 774263222 /nfs/dbraw/zinc/26/32/22/774263222.db2.gz RTHVPEZKXWOQCC-LLVKDONJSA-N 1 3 305.338 0.354 20 0 DCADHO Cc1[nH]nc2ncc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cc12 ZINC001218614159 774264216 /nfs/dbraw/zinc/26/42/16/774264216.db2.gz DUHPTSWPMUURFJ-MEBBXXQBSA-N 1 3 300.366 0.404 20 0 DCADHO COc1ccc2ncc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2c1 ZINC001218629451 774267700 /nfs/dbraw/zinc/26/77/00/774267700.db2.gz YCRFDJCHBOPTML-CQSZACIVSA-N 1 3 312.373 0.991 20 0 DCADHO CCOC(=O)c1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218647170 774272395 /nfs/dbraw/zinc/27/23/95/774272395.db2.gz GITMJYGIUNMMKP-BDJLRTHQSA-N 1 3 318.377 0.396 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218725976 774289241 /nfs/dbraw/zinc/28/92/41/774289241.db2.gz DLVOXWANVRBGGC-VXGBXAGGSA-N 1 3 322.365 0.041 20 0 DCADHO CCOc1cc(C(N)=O)ccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218815334 774309608 /nfs/dbraw/zinc/30/96/08/774309608.db2.gz JZZNMKCTIIQGPI-AWEZNQCLSA-N 1 3 320.393 0.450 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116857 774377916 /nfs/dbraw/zinc/37/79/16/774377916.db2.gz SHWAKKMGZQMEMZ-OAHLLOKOSA-N 1 3 314.393 0.328 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116871 774377966 /nfs/dbraw/zinc/37/79/66/774377966.db2.gz TXOXJMLBDUKUDK-CQSZACIVSA-N 1 3 320.393 0.315 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001201240787 774469833 /nfs/dbraw/zinc/46/98/33/774469833.db2.gz YOSFADJWRADWCH-IUODEOHRSA-N 1 3 324.469 0.574 20 0 DCADHO CC(=O)Nc1ccc(O)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219530225 774524337 /nfs/dbraw/zinc/52/43/37/774524337.db2.gz PPZAHJZLMYCXND-NSHDSACASA-N 1 3 304.350 0.098 20 0 DCADHO CC(=O)Nc1ccc(O)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001219530633 774525475 /nfs/dbraw/zinc/52/54/75/774525475.db2.gz WPSHGVQXRGPZPF-BDJLRTHQSA-N 1 3 318.377 0.488 20 0 DCADHO O=C(NCc1ccc2c(c1)OCO2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219551751 774534449 /nfs/dbraw/zinc/53/44/49/774534449.db2.gz IIACDGOWKGREDA-MLGOLLRUSA-N 1 3 303.362 0.231 20 0 DCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CN)CC21CC[NH2+]CC1 ZINC001219754823 774599595 /nfs/dbraw/zinc/59/95/95/774599595.db2.gz ZPHLROBJWRVDBM-LSDHHAIUSA-N 1 3 302.422 0.463 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219774963 774604324 /nfs/dbraw/zinc/60/43/24/774604324.db2.gz GGCMLHOCZSAPBL-ZDUSSCGKSA-N 1 3 310.442 0.124 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]CCCF)C1 ZINC001202164427 774609891 /nfs/dbraw/zinc/60/98/91/774609891.db2.gz MPBSYADJGNMXGJ-CQSZACIVSA-N 1 3 303.422 0.893 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818347 774620113 /nfs/dbraw/zinc/62/01/13/774620113.db2.gz DGVIULGNXQWOFX-RZNKXZLBSA-N 1 3 309.435 0.302 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc2cncnc2[nH]1 ZINC001153001618 774651048 /nfs/dbraw/zinc/65/10/48/774651048.db2.gz ZBFRJILFLMJUMX-UHFFFAOYSA-N 1 3 303.370 0.587 20 0 DCADHO COc1ccc(O[C@@H](C)CNC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001219945550 774653735 /nfs/dbraw/zinc/65/37/35/774653735.db2.gz MREQUJOZAZNGIX-LRDDRELGSA-N 1 3 321.421 0.906 20 0 DCADHO COC(=O)[C@@H](NC(=O)[C@H](N)CCC[NH3+])c1ccc(OC)cc1 ZINC001219974953 774659052 /nfs/dbraw/zinc/65/90/52/774659052.db2.gz JKYUXIHJJVZOJQ-OLZOCXBDSA-N 1 3 309.366 0.092 20 0 DCADHO CCCCOC(=O)[C@H](C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220050033 774681614 /nfs/dbraw/zinc/68/16/14/774681614.db2.gz YQULPYODVHUTDZ-QWHCGFSZSA-N 1 3 311.426 0.709 20 0 DCADHO CCCCOC(=O)[C@H](C)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220050033 774681616 /nfs/dbraw/zinc/68/16/16/774681616.db2.gz YQULPYODVHUTDZ-QWHCGFSZSA-N 1 3 311.426 0.709 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220065963 774686365 /nfs/dbraw/zinc/68/63/65/774686365.db2.gz LRAZBCNQISCQAA-NSHDSACASA-N 1 3 323.397 0.282 20 0 DCADHO O=C(NC1(c2cccnn2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220209847 774735123 /nfs/dbraw/zinc/73/51/23/774735123.db2.gz HIOQINBLHPIWKF-LBPRGKRZSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NC1(c2cccnn2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220209847 774735124 /nfs/dbraw/zinc/73/51/24/774735124.db2.gz HIOQINBLHPIWKF-LBPRGKRZSA-N 1 3 301.394 0.456 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CCCC1 ZINC001220216977 774736790 /nfs/dbraw/zinc/73/67/90/774736790.db2.gz GXOHXJKZSYTUAA-LBPRGKRZSA-N 1 3 307.394 0.303 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCCc1cn2ccccc2n1 ZINC001220278551 774755210 /nfs/dbraw/zinc/75/52/10/774755210.db2.gz WYIFJAFZHXNXBK-LBPRGKRZSA-N 1 3 307.423 0.012 20 0 DCADHO N[C@@H](C(=O)NCc1cc(F)cc2c1OCOC2)C1CC[NH2+]CC1 ZINC001220294089 774762101 /nfs/dbraw/zinc/76/21/01/774762101.db2.gz FMJBOPZFGSXBLO-CQSZACIVSA-N 1 3 323.368 0.635 20 0 DCADHO O=C(NCc1ncn2c1CNCCC2)[C@@H]1CCSC12C[NH2+]C2 ZINC001220311009 774766113 /nfs/dbraw/zinc/76/61/13/774766113.db2.gz JDKAKJQCOSIYPU-NSHDSACASA-N 1 3 321.450 0.088 20 0 DCADHO N[C@H](C(=O)NC[C@@H](CO)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001220406977 774799195 /nfs/dbraw/zinc/79/91/95/774799195.db2.gz ZNNHVDNEWAQBQJ-HOCLYGCPSA-N 1 3 305.422 0.281 20 0 DCADHO NC[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001220492681 774826032 /nfs/dbraw/zinc/82/60/32/774826032.db2.gz PNOWEKLSVIXNSK-JONQDZQNSA-N 1 3 302.422 0.584 20 0 DCADHO NC[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001220492681 774826038 /nfs/dbraw/zinc/82/60/38/774826038.db2.gz PNOWEKLSVIXNSK-JONQDZQNSA-N 1 3 302.422 0.584 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C23CCC([NH3+])(CC2)C3)CCNC1 ZINC001220523481 774836414 /nfs/dbraw/zinc/83/64/14/774836414.db2.gz PAABDVOHQYKXAT-UHFFFAOYSA-N 1 3 307.394 0.575 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@@]2(C(C)C)CCC[NH2+]C2)CCNC1 ZINC001220522881 774836766 /nfs/dbraw/zinc/83/67/66/774836766.db2.gz GXLRNBPKKZLCGN-KRWDZBQOSA-N 1 3 323.437 0.939 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)C1CC1 ZINC001114404772 774841062 /nfs/dbraw/zinc/84/10/62/774841062.db2.gz GZRUNESINBCFQW-JJXSEGSLSA-N 1 3 317.437 0.270 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)C1CC1 ZINC001114404772 774841069 /nfs/dbraw/zinc/84/10/69/774841069.db2.gz GZRUNESINBCFQW-JJXSEGSLSA-N 1 3 317.437 0.270 20 0 DCADHO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@H](O)c1cccc(O)c1 ZINC001220546048 774842755 /nfs/dbraw/zinc/84/27/55/774842755.db2.gz ARNNRDKHGQLLHQ-MAQMMGONSA-N 1 3 319.405 0.129 20 0 DCADHO CN[C@@H](CO)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611414 774863871 /nfs/dbraw/zinc/86/38/71/774863871.db2.gz XDCWQQLROISHBW-QWRGUYRKSA-N 1 3 316.199 0.145 20 0 DCADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1C[C@@H](F)CCN1 ZINC001220651152 774877518 /nfs/dbraw/zinc/87/75/18/774877518.db2.gz DKLHISXJERRVLK-GJZGRUSLSA-N 1 3 320.412 0.803 20 0 DCADHO O=C(NCCC1CCC(O)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220757177 774908784 /nfs/dbraw/zinc/90/87/84/774908784.db2.gz WJHLCWPTRICWHB-NRXISQOPSA-N 1 3 309.454 0.918 20 0 DCADHO O=C(NCCC1CCC(O)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220757177 774908785 /nfs/dbraw/zinc/90/87/85/774908785.db2.gz WJHLCWPTRICWHB-NRXISQOPSA-N 1 3 309.454 0.918 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1[nH]nc2c1CCNC2 ZINC001220807332 774920957 /nfs/dbraw/zinc/92/09/57/774920957.db2.gz DMEBQDIVDMFEIJ-RKDXNWHRSA-N 1 3 317.315 0.326 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1C[NH3+] ZINC001220855014 774937149 /nfs/dbraw/zinc/93/71/49/774937149.db2.gz IINSSAFWBGTESC-NHYWBVRUSA-N 1 3 306.410 0.251 20 0 DCADHO COc1cncc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c1 ZINC001220870882 774940319 /nfs/dbraw/zinc/94/03/19/774940319.db2.gz QLKOOPIYZUDQOC-CQSZACIVSA-N 1 3 304.394 0.581 20 0 DCADHO COc1cncc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001220870882 774940321 /nfs/dbraw/zinc/94/03/21/774940321.db2.gz QLKOOPIYZUDQOC-CQSZACIVSA-N 1 3 304.394 0.581 20 0 DCADHO COc1ccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)nc1OC ZINC001220955936 774961964 /nfs/dbraw/zinc/96/19/64/774961964.db2.gz SAJIVYVPSXKGPL-ZDUSSCGKSA-N 1 3 308.382 0.042 20 0 DCADHO C[NH2+]CCC(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001220971219 774965897 /nfs/dbraw/zinc/96/58/97/774965897.db2.gz YAKREBFTIMIWHK-UHFFFAOYSA-N 1 3 318.421 0.232 20 0 DCADHO CO[C@@H](CN)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976595 774967015 /nfs/dbraw/zinc/96/70/15/774967015.db2.gz GJMZZPVQXOTTEM-HNNXBMFYSA-N 1 3 323.412 0.828 20 0 DCADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976288 774967071 /nfs/dbraw/zinc/96/70/71/774967071.db2.gz SKCVFPCYSURAQY-COSBLLOGSA-N 1 3 309.454 0.846 20 0 DCADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976288 774967076 /nfs/dbraw/zinc/96/70/76/774967076.db2.gz SKCVFPCYSURAQY-COSBLLOGSA-N 1 3 309.454 0.846 20 0 DCADHO COc1cccc(C(C)(C)CNC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001220996723 774973832 /nfs/dbraw/zinc/97/38/32/774973832.db2.gz IADJFDXUDOBSDJ-HNNXBMFYSA-N 1 3 320.437 0.811 20 0 DCADHO COc1ncccc1[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221021669 774981684 /nfs/dbraw/zinc/98/16/84/774981684.db2.gz OCJJVUPIHYZQRT-UONOGXRCSA-N 1 3 316.405 0.467 20 0 DCADHO COCCCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221061756 774987344 /nfs/dbraw/zinc/98/73/44/774987344.db2.gz CPOGJHXOCDEQPL-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO N[C@H](C(=O)NCC1(c2ccc(F)cn2)CC1)C1CC[NH2+]CC1 ZINC001221174603 775017191 /nfs/dbraw/zinc/01/71/91/775017191.db2.gz JMBVHWJHRBILNM-AWEZNQCLSA-N 1 3 306.385 0.695 20 0 DCADHO Cc1ncsc1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221328002 775070082 /nfs/dbraw/zinc/07/00/82/775070082.db2.gz HXHBKSGDVPGJOE-LBPRGKRZSA-N 1 3 308.451 0.984 20 0 DCADHO Cc1ncsc1CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221328002 775070090 /nfs/dbraw/zinc/07/00/90/775070090.db2.gz HXHBKSGDVPGJOE-LBPRGKRZSA-N 1 3 308.451 0.984 20 0 DCADHO CO[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221391138 775083883 /nfs/dbraw/zinc/08/38/83/775083883.db2.gz BKKHMXHGLJEWGR-ZBFHGGJFSA-N 1 3 320.437 0.322 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3[C@H]([NH3+])[C@H]4CC[C@@H]3C4)CC2)NC1 ZINC001221393114 775084458 /nfs/dbraw/zinc/08/44/58/775084458.db2.gz WHPAXEYJKUCDIZ-OSRSDYAFSA-N 1 3 316.449 0.928 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398612 775086784 /nfs/dbraw/zinc/08/67/84/775086784.db2.gz CPUOCBCZEWRTHX-HOCLYGCPSA-N 1 3 313.405 0.121 20 0 DCADHO C[C@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]C[C@H]1O ZINC001221398430 775086882 /nfs/dbraw/zinc/08/68/82/775086882.db2.gz ZMEHKKJVWQMDAO-UXLLHSPISA-N 1 3 303.406 0.178 20 0 DCADHO CN1CCC(CO)(NC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)CC1 ZINC001221402428 775088265 /nfs/dbraw/zinc/08/82/65/775088265.db2.gz HARCFVYXSJEAAB-OLZOCXBDSA-N 1 3 313.442 0.105 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2CCCC[C@H](N)C2=O)[C@@H](C)C1 ZINC001221408451 775091777 /nfs/dbraw/zinc/09/17/77/775091777.db2.gz PYAPNOZITOTLGR-SOUVJXGZSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCCC[C@H](N)C2=O)[C@@H](C)C1 ZINC001221408451 775091781 /nfs/dbraw/zinc/09/17/81/775091781.db2.gz PYAPNOZITOTLGR-SOUVJXGZSA-N 1 3 324.469 0.561 20 0 DCADHO c1cc(CN2CC3(C2)CNCCO3)cc(CN2CC[NH2+]CC2)c1 ZINC001222441741 775350299 /nfs/dbraw/zinc/35/02/99/775350299.db2.gz PBYGSAFQUDCVNO-UHFFFAOYSA-N 1 3 316.449 0.266 20 0 DCADHO c1cc(N2CC[NH2+]CC2)ncc1CN1CC[C@@H]2NCCO[C@H]2C1 ZINC001222696716 775418364 /nfs/dbraw/zinc/41/83/64/775418364.db2.gz GLPILLCAYLNXCS-HOTGVXAUSA-N 1 3 317.437 0.054 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223472891 775493696 /nfs/dbraw/zinc/49/36/96/775493696.db2.gz XNEDXUOMZNRCRH-HUUCEWRRSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224273025 775552187 /nfs/dbraw/zinc/55/21/87/775552187.db2.gz LMUJCNXPAYXHRN-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095784412 775668892 /nfs/dbraw/zinc/66/88/92/775668892.db2.gz QLHBBEMAYFXITE-QDNRJMGHSA-N 1 3 305.422 0.591 20 0 DCADHO CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095784412 775668898 /nfs/dbraw/zinc/66/88/98/775668898.db2.gz QLHBBEMAYFXITE-QDNRJMGHSA-N 1 3 305.422 0.591 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1)C(N)=O ZINC001226830040 775882840 /nfs/dbraw/zinc/88/28/40/775882840.db2.gz AQLZRGNANLAZFH-RBSFLKMASA-N 1 3 324.469 0.752 20 0 DCADHO C[NH+](C)CC1(C(=O)NC2CCN(CCn3cncn3)CC2)CC1 ZINC001228888085 776134818 /nfs/dbraw/zinc/13/48/18/776134818.db2.gz BQOXYQDSHOSUTI-UHFFFAOYSA-N 1 3 320.441 0.201 20 0 DCADHO CC[C@@H](C(=O)NC1CC[NH+](CCc2ccnn2C)CC1)N(C)C ZINC001229253283 776173201 /nfs/dbraw/zinc/17/32/01/776173201.db2.gz AUVDIUGOLKBKNS-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001229869005 776232371 /nfs/dbraw/zinc/23/23/71/776232371.db2.gz UFFJWMCMDMDWMA-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CC2)C1 ZINC001230139143 776258355 /nfs/dbraw/zinc/25/83/55/776258355.db2.gz YMLWZHUEHJYFMO-NWANDNLSSA-N 1 3 322.453 0.234 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC2CC2)C1 ZINC001230139143 776258361 /nfs/dbraw/zinc/25/83/61/776258361.db2.gz YMLWZHUEHJYFMO-NWANDNLSSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001230284716 776275558 /nfs/dbraw/zinc/27/55/58/776275558.db2.gz RQUIHINKLFTDEQ-HUUCEWRRSA-N 1 3 324.469 0.622 20 0 DCADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1)C1CCC1 ZINC001041356655 777224596 /nfs/dbraw/zinc/22/45/96/777224596.db2.gz ANSVFOBBDOBSRT-KRWDZBQOSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1)C1CCC1 ZINC001041356655 777224605 /nfs/dbraw/zinc/22/46/05/777224605.db2.gz ANSVFOBBDOBSRT-KRWDZBQOSA-N 1 3 309.454 0.778 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1)N(C)C ZINC001041378425 777239771 /nfs/dbraw/zinc/23/97/71/777239771.db2.gz JKYMNIPXDQMAGF-RDJZCZTQSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1)N(C)C ZINC001041378425 777239776 /nfs/dbraw/zinc/23/97/76/777239776.db2.gz JKYMNIPXDQMAGF-RDJZCZTQSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)(C(=O)N1CC[C@H]2CCN(CCO)[C@@H]2C1)[NH+]1CCCC1 ZINC001042187587 777764703 /nfs/dbraw/zinc/76/47/03/777764703.db2.gz NNYRWDPXSOYSRI-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1)N1CCCC1 ZINC001042187587 777764710 /nfs/dbraw/zinc/76/47/10/777764710.db2.gz NNYRWDPXSOYSRI-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1)N1CCCC1 ZINC001042187587 777764723 /nfs/dbraw/zinc/76/47/23/777764723.db2.gz NNYRWDPXSOYSRI-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001486728070 945098828 /nfs/dbraw/zinc/09/88/28/945098828.db2.gz PYNYWJYADKACJD-RYUDHWBXSA-N 1 3 323.441 0.612 20 0 DCADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOCC1CC1 ZINC001266275291 939041489 /nfs/dbraw/zinc/04/14/89/939041489.db2.gz UHRHPULGCUSDKY-MRXNPFEDSA-N 1 3 309.454 0.803 20 0 DCADHO C[NH+](C)CCN1C[C@]2(CCN(C[C@@H]3CCCO3)C2)OCC1=O ZINC001273071979 945231728 /nfs/dbraw/zinc/23/17/28/945231728.db2.gz LFIHKUNUDJBPSQ-GOEBONIOSA-N 1 3 311.426 0.030 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)N1CCCC1)[NH+](C)C ZINC001266732043 939223551 /nfs/dbraw/zinc/22/35/51/939223551.db2.gz DNUNRAOGFUSITK-HNNXBMFYSA-N 1 3 312.458 0.243 20 0 DCADHO COCCOCCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267609740 939570367 /nfs/dbraw/zinc/57/03/67/939570367.db2.gz APTDDCJSTNFUIQ-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO COCCOCCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267609740 939570368 /nfs/dbraw/zinc/57/03/68/939570368.db2.gz APTDDCJSTNFUIQ-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001481272028 939689604 /nfs/dbraw/zinc/68/96/04/939689604.db2.gz ONJKXORTGOBYRL-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001481272028 939689607 /nfs/dbraw/zinc/68/96/07/939689607.db2.gz ONJKXORTGOBYRL-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCc1ccnn1C ZINC001268005013 939730997 /nfs/dbraw/zinc/73/09/97/939730997.db2.gz ZYXWCMOAZVGHQR-GJZGRUSLSA-N 1 3 321.469 0.646 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001481303276 939733483 /nfs/dbraw/zinc/73/34/83/939733483.db2.gz XUVYIINKJWLFAK-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481303276 939733486 /nfs/dbraw/zinc/73/34/86/939733486.db2.gz XUVYIINKJWLFAK-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001481315298 939742603 /nfs/dbraw/zinc/74/26/03/939742603.db2.gz VMRRVOGXFZVUEL-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001481315298 939742605 /nfs/dbraw/zinc/74/26/05/939742605.db2.gz VMRRVOGXFZVUEL-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001268415692 940114695 /nfs/dbraw/zinc/11/46/95/940114695.db2.gz QRJZALPPAZZFIT-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCN(C)C1=O ZINC001481845203 940158115 /nfs/dbraw/zinc/15/81/15/940158115.db2.gz BLYJFMRRRPNTHM-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO O[C@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COCc1ccccc1 ZINC001245973840 945303603 /nfs/dbraw/zinc/30/36/03/945303603.db2.gz KYWOPUBPLOTSQZ-OWCLPIDISA-N 1 3 312.385 0.216 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268580797 940265342 /nfs/dbraw/zinc/26/53/42/940265342.db2.gz CIQWLZQZMFPTDU-MGFMJIJDSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268580797 940265345 /nfs/dbraw/zinc/26/53/45/940265345.db2.gz CIQWLZQZMFPTDU-MGFMJIJDSA-N 1 3 310.442 0.243 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1C ZINC001482170131 940291583 /nfs/dbraw/zinc/29/15/83/940291583.db2.gz ZJFNXCQISSIIEZ-TZMCWYRMSA-N 1 3 307.442 0.522 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001482170131 940291586 /nfs/dbraw/zinc/29/15/86/940291586.db2.gz ZJFNXCQISSIIEZ-TZMCWYRMSA-N 1 3 307.442 0.522 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001268797215 940364747 /nfs/dbraw/zinc/36/47/47/940364747.db2.gz JGMGROIQQIUUPF-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1ccccc1OC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246007896 945313828 /nfs/dbraw/zinc/31/38/28/945313828.db2.gz LXGMTCLIZPGABR-KGLIPLIRSA-N 1 3 309.410 0.307 20 0 DCADHO O[C@H](CN1CCN[C@H](c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246046443 945328300 /nfs/dbraw/zinc/32/83/00/945328300.db2.gz RGDFEULBOYKLQF-IRXDYDNUSA-N 1 3 319.449 0.498 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC(F)F ZINC001270183936 940851618 /nfs/dbraw/zinc/85/16/18/940851618.db2.gz CMOWBMXRJQPFFI-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)Cc1c[nH]cn1 ZINC001482335050 941001913 /nfs/dbraw/zinc/00/19/13/941001913.db2.gz GKMQTMXZJCQGRA-GFCCVEGCSA-N 1 3 304.398 0.365 20 0 DCADHO CC(C)C[C@H](CNCc1cncn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482399383 941210876 /nfs/dbraw/zinc/21/08/76/941210876.db2.gz YIZCINJWPXDFGO-HUUCEWRRSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@H](CNCc1cncn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482399383 941210878 /nfs/dbraw/zinc/21/08/78/941210878.db2.gz YIZCINJWPXDFGO-HUUCEWRRSA-N 1 3 321.469 0.992 20 0 DCADHO C[NH+](C)CCCC(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001409099396 941509511 /nfs/dbraw/zinc/50/95/11/941509511.db2.gz DDXWHCXYRBHJQZ-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)N2CCC2)C1 ZINC001482660980 941613038 /nfs/dbraw/zinc/61/30/38/941613038.db2.gz BWXDVAQKXLOTTJ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482835433 941684739 /nfs/dbraw/zinc/68/47/39/941684739.db2.gz UXBORQYBRQDCSW-MGPQQGTHSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482835433 941684742 /nfs/dbraw/zinc/68/47/42/941684742.db2.gz UXBORQYBRQDCSW-MGPQQGTHSA-N 1 3 307.442 0.745 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001409268634 941821782 /nfs/dbraw/zinc/82/17/82/941821782.db2.gz MVGDIJBPFNZEHY-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001483198116 941931852 /nfs/dbraw/zinc/93/18/52/941931852.db2.gz LMZDAVAORNBYBB-GFCCVEGCSA-N 1 3 308.430 0.583 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409372966 941969353 /nfs/dbraw/zinc/96/93/53/941969353.db2.gz LCAOAJJMSTXGDE-ZIAGYGMSSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001409570561 942061407 /nfs/dbraw/zinc/06/14/07/942061407.db2.gz GYSXQHQXXYJKQI-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001409570561 942061411 /nfs/dbraw/zinc/06/14/11/942061411.db2.gz GYSXQHQXXYJKQI-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082530 942465933 /nfs/dbraw/zinc/46/59/33/942465933.db2.gz UDIXSRUCHUGHGS-UONOGXRCSA-N 1 3 312.458 0.609 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082530 942465936 /nfs/dbraw/zinc/46/59/36/942465936.db2.gz UDIXSRUCHUGHGS-UONOGXRCSA-N 1 3 312.458 0.609 20 0 DCADHO CCC1(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)COC1 ZINC001272528276 942807150 /nfs/dbraw/zinc/80/71/50/942807150.db2.gz SSZTWCUGJJQZFJ-QGZVFWFLSA-N 1 3 309.454 0.899 20 0 DCADHO CCC1(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)COC1 ZINC001272528276 942807153 /nfs/dbraw/zinc/80/71/53/942807153.db2.gz SSZTWCUGJJQZFJ-QGZVFWFLSA-N 1 3 309.454 0.899 20 0 DCADHO Cc1cncc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001272562179 942828371 /nfs/dbraw/zinc/82/83/71/942828371.db2.gz ARCSZVZHVOKTFD-QGZVFWFLSA-N 1 3 317.437 0.771 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCCF)[NH+]1CCCCC1 ZINC001272582893 942847612 /nfs/dbraw/zinc/84/76/12/942847612.db2.gz CPIKICLYOBXRKS-ZIAGYGMSSA-N 1 3 303.422 0.533 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCNCc3cnns3)C2)C1 ZINC001272641233 942880977 /nfs/dbraw/zinc/88/09/77/942880977.db2.gz CFDKRDSQGRTXAZ-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CCNCc3cnns3)C2)C1 ZINC001272641233 942880986 /nfs/dbraw/zinc/88/09/86/942880986.db2.gz CFDKRDSQGRTXAZ-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO C[NH+](C)CCN1C[C@@]2(CCN(Cc3cc[nH]c3)C2)OCC1=O ZINC001272648921 942886229 /nfs/dbraw/zinc/88/62/29/942886229.db2.gz MXDIDGUJACNCDV-INIZCTEOSA-N 1 3 306.410 0.380 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001483924185 943025754 /nfs/dbraw/zinc/02/57/54/943025754.db2.gz HGBCYUBDUZMKPQ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001483941813 943040520 /nfs/dbraw/zinc/04/05/20/943040520.db2.gz DYYVWAMXGMVDDN-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)CCC1 ZINC001484000436 943079470 /nfs/dbraw/zinc/07/94/70/943079470.db2.gz FWWQANQHFHDPSG-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CN(CC(=O)NCCN1CCC([NH2+]CCF)CC1)C1CCC1 ZINC001484421066 943366713 /nfs/dbraw/zinc/36/67/13/943366713.db2.gz VGKIKXVPRIYPPJ-UHFFFAOYSA-N 1 3 314.449 0.610 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001484546869 943448981 /nfs/dbraw/zinc/44/89/81/943448981.db2.gz KTPDTPANJFMRRI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC001413732803 943612863 /nfs/dbraw/zinc/61/28/63/943612863.db2.gz PEAYQEUGLXOLCH-WBVHZDCISA-N 1 3 308.470 0.424 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1 ZINC001413732803 943612866 /nfs/dbraw/zinc/61/28/66/943612866.db2.gz PEAYQEUGLXOLCH-WBVHZDCISA-N 1 3 308.470 0.424 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001490927788 943680369 /nfs/dbraw/zinc/68/03/69/943680369.db2.gz CHFWPAZXBDSBIW-AJNGGQMLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001490941374 943684017 /nfs/dbraw/zinc/68/40/17/943684017.db2.gz PWLFWAAGASRLKV-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnc(C)cn2)C1 ZINC001490941374 943684019 /nfs/dbraw/zinc/68/40/19/943684019.db2.gz PWLFWAAGASRLKV-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)N1CCC1 ZINC001491174106 943809192 /nfs/dbraw/zinc/80/91/92/943809192.db2.gz OKVZPRSXTMRNLV-ZDUSSCGKSA-N 1 3 319.409 0.013 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)CCn1cccn1 ZINC001485373122 943906433 /nfs/dbraw/zinc/90/64/33/943906433.db2.gz KKZZMEVCFOOZEX-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CCn1cccn1 ZINC001485373122 943906435 /nfs/dbraw/zinc/90/64/35/943906435.db2.gz KKZZMEVCFOOZEX-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO CCCC[C@H](CNCC(=O)NC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485462298 943950315 /nfs/dbraw/zinc/95/03/15/943950315.db2.gz DPCIHLMLSNRVRR-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CC(=O)NCCNC(=O)C[N@H+](C)C1CCC1)C1CCC1 ZINC001491384336 943951914 /nfs/dbraw/zinc/95/19/14/943951914.db2.gz SRVKKVAJYZVORU-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CC(=O)NCCNC(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC001491384336 943951918 /nfs/dbraw/zinc/95/19/18/943951918.db2.gz SRVKKVAJYZVORU-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCCC[C@H](CN[C@@H](C)C(=O)NC)NC(=O)C12CC[NH+](CC1)C2 ZINC001485470976 943952178 /nfs/dbraw/zinc/95/21/78/943952178.db2.gz VVWHSIRNNADPPT-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001485702767 944094363 /nfs/dbraw/zinc/09/43/63/944094363.db2.gz BGLHYHQTLIHUQO-HDJSIYSDSA-N 1 3 307.442 0.746 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3cnoc3)C2)C1=O ZINC001272712802 944158091 /nfs/dbraw/zinc/15/80/91/944158091.db2.gz RUVRFPDMULBFQN-INIZCTEOSA-N 1 3 320.393 0.577 20 0 DCADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cnc(N)nc1)CC2 ZINC001276544257 944203737 /nfs/dbraw/zinc/20/37/37/944203737.db2.gz DQSAIVDZPWVKHS-UHFFFAOYSA-N 1 3 318.469 0.908 20 0 DCADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cnc(N)nc1)CC2 ZINC001276544257 944203744 /nfs/dbraw/zinc/20/37/44/944203744.db2.gz DQSAIVDZPWVKHS-UHFFFAOYSA-N 1 3 318.469 0.908 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ncccc3O)C[C@H]21 ZINC001276594201 944226461 /nfs/dbraw/zinc/22/64/61/944226461.db2.gz SMFDGRATAOPKSS-ZBFHGGJFSA-N 1 3 306.410 0.234 20 0 DCADHO CN1CCN(CC(C)(C)C[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001276658572 944251384 /nfs/dbraw/zinc/25/13/84/944251384.db2.gz QMNJGHOOLKCBGK-KRWDZBQOSA-N 1 3 310.486 0.861 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215473574 944275063 /nfs/dbraw/zinc/27/50/63/944275063.db2.gz DUBRHJCEWQZHLB-LXTVHRRPSA-N 1 3 315.458 0.016 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001485892739 944386115 /nfs/dbraw/zinc/38/61/15/944386115.db2.gz DHXYCMCTPLPEAH-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485892739 944386125 /nfs/dbraw/zinc/38/61/25/944386125.db2.gz DHXYCMCTPLPEAH-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(C)(C)C ZINC001485943830 944424165 /nfs/dbraw/zinc/42/41/65/944424165.db2.gz FMBMTROOIUMLNN-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(C)cc(CN[C@H](CO)CNC(=O)CC[NH+](C)C)c1 ZINC001486030700 944510929 /nfs/dbraw/zinc/51/09/29/944510929.db2.gz LNLRBQZSKYWPFB-INIZCTEOSA-N 1 3 307.438 0.822 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@H](C)C(=O)NC)C(C)(C)C1 ZINC001486246443 944669812 /nfs/dbraw/zinc/66/98/12/944669812.db2.gz KVRDKQNGMDSDCJ-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C[C@@H](O)CNCc1cncs1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486317966 944761862 /nfs/dbraw/zinc/76/18/62/944761862.db2.gz RMZXFRGSTVAJIO-NEPJUHHUSA-N 1 3 312.439 0.004 20 0 DCADHO CN(C[C@@H](O)CNCc1cncs1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486317966 944761870 /nfs/dbraw/zinc/76/18/70/944761870.db2.gz RMZXFRGSTVAJIO-NEPJUHHUSA-N 1 3 312.439 0.004 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCC2CC2)C1 ZINC001486349054 944834581 /nfs/dbraw/zinc/83/45/81/944834581.db2.gz NSGHJRYOOLUOGH-HOCLYGCPSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC2CC2)C1 ZINC001486349054 944834584 /nfs/dbraw/zinc/83/45/84/944834584.db2.gz NSGHJRYOOLUOGH-HOCLYGCPSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001486409931 944863422 /nfs/dbraw/zinc/86/34/22/944863422.db2.gz JYIKJSMUEHCDLL-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO c1cn(CCN2CC3(C2)CC[NH+](C[C@@H]2COCCO2)CC3)cn1 ZINC001277526316 944865138 /nfs/dbraw/zinc/86/51/38/944865138.db2.gz AXPHJIKNXGCUND-MRXNPFEDSA-N 1 3 320.437 0.696 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001486466172 944902982 /nfs/dbraw/zinc/90/29/82/944902982.db2.gz PVWCWSIIAUIVLM-AVVWSFFYSA-N 1 3 321.469 0.882 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001493600933 944996135 /nfs/dbraw/zinc/99/61/35/944996135.db2.gz SLAFIGJRVFPWNT-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CS(=O)(=O)c1ccccc1CN[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246333452 945386279 /nfs/dbraw/zinc/38/62/79/945386279.db2.gz QMDAGQILPVHATG-ZDUSSCGKSA-N 1 3 309.435 0.274 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001486912443 945391793 /nfs/dbraw/zinc/39/17/93/945391793.db2.gz UGHDVPFYVXSREU-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246375210 945400360 /nfs/dbraw/zinc/40/03/60/945400360.db2.gz WXVZXAUIMDNZBQ-JKIFEVAISA-N 1 3 324.469 0.086 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001318831445 945449989 /nfs/dbraw/zinc/44/99/89/945449989.db2.gz QZBARBVXBFOTEF-DZGCQCFKSA-N 1 3 312.458 0.276 20 0 DCADHO O=C(c1nn([C@H]2CCC[NH2+]C2)c2c1CNCC2)N1CCCC1 ZINC001246700581 945464384 /nfs/dbraw/zinc/46/43/84/945464384.db2.gz MCWHIYKOVYEIKU-LBPRGKRZSA-N 1 3 303.410 0.689 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246712990 945469233 /nfs/dbraw/zinc/46/92/33/945469233.db2.gz FUZDFHPGLZKZIY-ARKGTOAJSA-N 1 3 324.469 0.735 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246712990 945469240 /nfs/dbraw/zinc/46/92/40/945469240.db2.gz FUZDFHPGLZKZIY-ARKGTOAJSA-N 1 3 324.469 0.735 20 0 DCADHO C[C@@H]1C[C@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)CC[NH2+]1 ZINC001246745979 945480797 /nfs/dbraw/zinc/48/07/97/945480797.db2.gz QHJDFTHJNLUKAL-UKRRQHHQSA-N 1 3 319.453 0.651 20 0 DCADHO FC(F)(F)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246861551 945508134 /nfs/dbraw/zinc/50/81/34/945508134.db2.gz KTBIJIRIYAUMPB-SECBINFHSA-N 1 3 315.343 0.814 20 0 DCADHO COc1nccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1F ZINC001247835800 945576520 /nfs/dbraw/zinc/57/65/20/945576520.db2.gz NJZYYMGTYCNXDK-VIFPVBQESA-N 1 3 305.313 0.556 20 0 DCADHO c1cc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc2c1OCO2 ZINC001247828811 945577269 /nfs/dbraw/zinc/57/72/69/945577269.db2.gz GABHNJXSLVYICZ-JTQLQIEISA-N 1 3 300.318 0.742 20 0 DCADHO Cn1ncc2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc21 ZINC001247830309 945577526 /nfs/dbraw/zinc/57/75/26/945577526.db2.gz MTHAPLWZDINCJB-GFCCVEGCSA-N 1 3 310.361 0.900 20 0 DCADHO c1cc(-c2noc([C@H]3CO[C@@H]4C[NH2+]C[C@H]34)n2)nc2c1CNCC2 ZINC001247896435 945582093 /nfs/dbraw/zinc/58/20/93/945582093.db2.gz AXGJVBIYSLSKGZ-UHIISALHSA-N 1 3 313.361 0.479 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001487423897 945734249 /nfs/dbraw/zinc/73/42/49/945734249.db2.gz FHOWTOKTISTKII-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001487423897 945734256 /nfs/dbraw/zinc/73/42/56/945734256.db2.gz FHOWTOKTISTKII-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC[NH2+]CCn1cncn1)C(=O)C1(N(C)C)CCC1 ZINC001320756956 946004737 /nfs/dbraw/zinc/00/47/37/946004737.db2.gz WIHUGCJCCFPMPO-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO OCC[NH+](CCO)CCCNC[C@H](O)c1ccc(F)cc1 ZINC001252858123 946019216 /nfs/dbraw/zinc/01/92/16/946019216.db2.gz HYTZJUCTFHIUMH-HNNXBMFYSA-N 1 3 300.374 0.125 20 0 DCADHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(CCO)cc3)C[C@@H]2C1 ZINC001253142275 946069899 /nfs/dbraw/zinc/06/98/99/946069899.db2.gz AGYSKUPVVYVYMO-IXDOHACOSA-N 1 3 320.433 0.455 20 0 DCADHO CN1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(CCO)cc3)C[C@@H]2C1 ZINC001253142275 946069913 /nfs/dbraw/zinc/06/99/13/946069913.db2.gz AGYSKUPVVYVYMO-IXDOHACOSA-N 1 3 320.433 0.455 20 0 DCADHO CC[NH+](CC)C[C@H](O)CNc1ncnc2[nH]cc(C(=O)OC)c21 ZINC001253181267 946083493 /nfs/dbraw/zinc/08/34/93/946083493.db2.gz RUJDROQZUDUAOR-SNVBAGLBSA-N 1 3 321.381 0.811 20 0 DCADHO C[C@H](C(=O)N(C)C)N(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410247943 946091926 /nfs/dbraw/zinc/09/19/26/946091926.db2.gz LOVHELQIIKIBJL-CYBMUJFWSA-N 1 3 312.458 0.338 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@H](CO)Cc1ccc(OC)cc1 ZINC001253211433 946096367 /nfs/dbraw/zinc/09/63/67/946096367.db2.gz WGKXREDCOQIULZ-HOTGVXAUSA-N 1 3 310.438 0.891 20 0 DCADHO CC(=O)OCN1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253411121 946118978 /nfs/dbraw/zinc/11/89/78/946118978.db2.gz CFLMIJCLEWKTQN-AWEZNQCLSA-N 1 3 301.431 0.310 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001410314632 946173751 /nfs/dbraw/zinc/17/37/51/946173751.db2.gz PYABFZBTQIZUEL-KGLIPLIRSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CCC[C@@H](NC/C=C\CNC(=O)CCC[NH+](C)C)C1=O ZINC001321224482 946223550 /nfs/dbraw/zinc/22/35/50/946223550.db2.gz ZXZWTQOGSZWFLF-ZRUQZJFASA-N 1 3 310.442 0.211 20 0 DCADHO Nc1ccncc1-c1cn(C[C@@H]2C[C@@]3(CCC[NH2+]3)CO2)nn1 ZINC001254063732 946228490 /nfs/dbraw/zinc/22/84/90/946228490.db2.gz HGGOSBBPDVHVRZ-NHYWBVRUSA-N 1 3 300.366 0.664 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001321281405 946251625 /nfs/dbraw/zinc/25/16/25/946251625.db2.gz QFGJCGOWYVIUBD-GJBLVYBDSA-N 1 3 324.469 0.457 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001410374850 946267900 /nfs/dbraw/zinc/26/79/00/946267900.db2.gz IQWVXZNQBYCJLH-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCn1cncn1 ZINC001321418842 946321712 /nfs/dbraw/zinc/32/17/12/946321712.db2.gz KGVKJVGOCJVOTN-MBVDDHJVSA-N 1 3 320.441 0.415 20 0 DCADHO COc1cnc(-c2cn(CCCC[NH2+]CCCN)nn2)cn1 ZINC001254163109 946325139 /nfs/dbraw/zinc/32/51/39/946325139.db2.gz LXPFGCDYSYHPBZ-UHFFFAOYSA-N 1 3 305.386 0.462 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ncnn21 ZINC001321421005 946327448 /nfs/dbraw/zinc/32/74/48/946327448.db2.gz VIQZRXHOFHXOIU-ZRUQZJFASA-N 1 3 320.441 0.368 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001410446677 946391099 /nfs/dbraw/zinc/39/10/99/946391099.db2.gz XMCQSDLYMANILM-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001410446677 946391108 /nfs/dbraw/zinc/39/11/08/946391108.db2.gz XMCQSDLYMANILM-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C1CC[NH+]([C@H]2CCCN(C)CC2)CC1)S(C)(=O)=O ZINC001254524928 946403892 /nfs/dbraw/zinc/40/38/92/946403892.db2.gz DTGUXCTWZSPIEZ-AWEZNQCLSA-N 1 3 303.472 0.827 20 0 DCADHO CC[C@H](N[C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001410499443 946489287 /nfs/dbraw/zinc/48/92/87/946489287.db2.gz FQZPSBORGPHOER-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CN1CC[C@@H](N(c2ncccn2)[C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001255431536 946504980 /nfs/dbraw/zinc/50/49/80/946504980.db2.gz KQWFINPJGQYPEG-CABCVRRESA-N 1 3 317.437 0.898 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCCCN(C)C ZINC001257914478 946776962 /nfs/dbraw/zinc/77/69/62/946776962.db2.gz WBLPKYLFYDFJFE-CYBMUJFWSA-N 1 3 322.471 0.674 20 0 DCADHO Cc1ccccc1C[NH2+][C@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001410719922 946834308 /nfs/dbraw/zinc/83/43/08/946834308.db2.gz HRVSCDDFLXNLGU-PBHICJAKSA-N 1 3 319.449 0.904 20 0 DCADHO CCCN1CCC([NH2+]C(CC(=O)OC)CC(=O)OC)CC1 ZINC001258768255 946861717 /nfs/dbraw/zinc/86/17/17/946861717.db2.gz FZCCMRSOAXKBHN-UHFFFAOYSA-N 1 3 300.399 0.945 20 0 DCADHO Cc1ccc(C)c(CN[C@H](CO)CNC(=O)CC[NH+](C)C)c1 ZINC001410728800 946851315 /nfs/dbraw/zinc/85/13/15/946851315.db2.gz KGDNHIWXHIBVRB-INIZCTEOSA-N 1 3 307.438 0.822 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)cn1 ZINC001410859960 947041534 /nfs/dbraw/zinc/04/15/34/947041534.db2.gz MPMUGZXKQPHTTP-WFASDCNBSA-N 1 3 305.426 0.816 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001410868804 947050818 /nfs/dbraw/zinc/05/08/18/947050818.db2.gz YUORLSOCZXIJSR-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN(C)C1CCC1 ZINC001410865926 947053053 /nfs/dbraw/zinc/05/30/53/947053053.db2.gz OJUYXSMXKKZVAB-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCc1cnn(C)c1 ZINC001493023716 947063272 /nfs/dbraw/zinc/06/32/72/947063272.db2.gz YSMHOPAMNCZXRT-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCc1cnn(C)c1 ZINC001493023716 947063280 /nfs/dbraw/zinc/06/32/80/947063280.db2.gz YSMHOPAMNCZXRT-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001411209723 947482721 /nfs/dbraw/zinc/48/27/21/947482721.db2.gz PIQRLOFLBSFUGS-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC001411279318 947573761 /nfs/dbraw/zinc/57/37/61/947573761.db2.gz NFPNWLRMLLMKEC-UHFFFAOYSA-N 1 3 308.430 0.236 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546045 947867124 /nfs/dbraw/zinc/86/71/24/947867124.db2.gz ATBLGFUMGSMOSN-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C)N(C)C ZINC001179553826 947870530 /nfs/dbraw/zinc/87/05/30/947870530.db2.gz AIXRYLGEJCFAKV-XUXIUFHCSA-N 1 3 312.458 0.382 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCOCCO)N(C)C ZINC001179609088 947873867 /nfs/dbraw/zinc/87/38/67/947873867.db2.gz GNUOJFYUGHUQKM-HNNXBMFYSA-N 1 3 317.474 0.602 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCn1cncn1)N(C)C ZINC001179609694 947875210 /nfs/dbraw/zinc/87/52/10/947875210.db2.gz YASVCJFTQXXELO-HNNXBMFYSA-N 1 3 324.473 0.885 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001273483274 947921453 /nfs/dbraw/zinc/92/14/53/947921453.db2.gz GMAKMBUNTVIXGI-UHFFFAOYSA-N 1 3 319.453 0.987 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001326330034 948132097 /nfs/dbraw/zinc/13/20/97/948132097.db2.gz DZTRBLXRLWLKOY-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCCOC)CC1)N(C)C ZINC001328175169 948733364 /nfs/dbraw/zinc/73/33/64/948733364.db2.gz POACUHVKQUUTLQ-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CC(N)=O ZINC001263958495 948815824 /nfs/dbraw/zinc/81/58/24/948815824.db2.gz NYBZISRLJQVSFC-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO COc1ccc(CN[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001488770750 949165549 /nfs/dbraw/zinc/16/55/49/949165549.db2.gz KMRWDLCUFKNHQN-XBXGTLAGSA-N 1 3 321.425 0.421 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001488793278 949244133 /nfs/dbraw/zinc/24/41/33/949244133.db2.gz YXHGVKPTRCTHPL-MELADBBJSA-N 1 3 306.410 0.782 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001489240365 949658478 /nfs/dbraw/zinc/65/84/78/949658478.db2.gz OQQNBLNLIVKIBR-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001489240365 949658489 /nfs/dbraw/zinc/65/84/89/949658489.db2.gz OQQNBLNLIVKIBR-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO COCCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265963787 950200453 /nfs/dbraw/zinc/20/04/53/950200453.db2.gz LIJOKVGKAXVNKP-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266216372 950480542 /nfs/dbraw/zinc/48/05/42/950480542.db2.gz RLMIBSNAESGHCG-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266216372 950480556 /nfs/dbraw/zinc/48/05/56/950480556.db2.gz RLMIBSNAESGHCG-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]1CCNC1=O ZINC001490331221 950585803 /nfs/dbraw/zinc/58/58/03/950585803.db2.gz KZAHKELDXYGVOV-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC001330946969 950781675 /nfs/dbraw/zinc/78/16/75/950781675.db2.gz DQGRUFHZOKUAOC-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](NCC(=O)NC)C2CC2)C1 ZINC001490698688 951052946 /nfs/dbraw/zinc/05/29/46/951052946.db2.gz KFAYZDLKYDXWIA-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](NCC(=O)NC)C2CC2)C1 ZINC001490698688 951052948 /nfs/dbraw/zinc/05/29/48/951052948.db2.gz KFAYZDLKYDXWIA-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCO[C@@H]1CC1(F)F ZINC001331562856 951175339 /nfs/dbraw/zinc/17/53/39/951175339.db2.gz BHAWTBVQLWCXNL-CMPLNLGQSA-N 1 3 316.352 0.813 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001274038110 951347604 /nfs/dbraw/zinc/34/76/04/951347604.db2.gz VNAVZCYEJZHIEQ-LBDXXUFISA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001274038110 951347619 /nfs/dbraw/zinc/34/76/19/951347619.db2.gz VNAVZCYEJZHIEQ-LBDXXUFISA-N 1 3 310.442 0.243 20 0 DCADHO CCOCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001281283390 951432715 /nfs/dbraw/zinc/43/27/15/951432715.db2.gz REMKHPDFOYVULN-UHFFFAOYSA-N 1 3 324.425 0.552 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001281617874 951563152 /nfs/dbraw/zinc/56/31/52/951563152.db2.gz CZZJQQKTXQUODN-CYBMUJFWSA-N 1 3 301.406 0.383 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001365809256 951569841 /nfs/dbraw/zinc/56/98/41/951569841.db2.gz DSROMYGVVNGNDF-OKILXGFUSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1ncc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)[nH]1 ZINC001274576086 951713037 /nfs/dbraw/zinc/71/30/37/951713037.db2.gz LBISPRNOBYWZEO-INIZCTEOSA-N 1 3 305.426 0.847 20 0 DCADHO CC(C)=CCN(C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001332679196 951760808 /nfs/dbraw/zinc/76/08/08/951760808.db2.gz WLCHJVJRJCNGDI-OAHLLOKOSA-N 1 3 309.454 0.800 20 0 DCADHO Cn1cncc1N1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274760005 951828013 /nfs/dbraw/zinc/82/80/13/951828013.db2.gz XNDYLEGMRGGFPC-INIZCTEOSA-N 1 3 305.426 0.943 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCN1CCCC1=O ZINC001275150023 951975693 /nfs/dbraw/zinc/97/56/93/951975693.db2.gz UOIRZSPLIGFSDD-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO COC(=O)CCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001275158582 951977768 /nfs/dbraw/zinc/97/77/68/951977768.db2.gz MKVFTKWISYXNDK-CHWSQXEVSA-N 1 3 309.410 0.082 20 0 DCADHO COC(=O)CCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001275158582 951977772 /nfs/dbraw/zinc/97/77/72/951977772.db2.gz MKVFTKWISYXNDK-CHWSQXEVSA-N 1 3 309.410 0.082 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001415500627 952412820 /nfs/dbraw/zinc/41/28/20/952412820.db2.gz IEKASBSLZUPNRB-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@H]1C ZINC001415500627 952412825 /nfs/dbraw/zinc/41/28/25/952412825.db2.gz IEKASBSLZUPNRB-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)C2(O)CCC2)C[C@H](C)O1 ZINC001336764212 952761906 /nfs/dbraw/zinc/76/19/06/952761906.db2.gz WYNAKQPNPSIXGT-QLFBSQMISA-N 1 3 300.443 0.741 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)CN(C)C2CC2)C[C@H](C)O1 ZINC001336764492 952762154 /nfs/dbraw/zinc/76/21/54/952762154.db2.gz YKZNEBGDYMZYMT-UXLLHSPISA-N 1 3 313.486 0.921 20 0 DCADHO C[C@@H](O)C[NH2+]CCCOC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001276170916 952965681 /nfs/dbraw/zinc/96/56/81/952965681.db2.gz SYIOAFHEGLWDPY-CYBMUJFWSA-N 1 3 324.425 0.320 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001276173193 952967730 /nfs/dbraw/zinc/96/77/30/952967730.db2.gz CMUJMBKWRMHNBM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1ccn(C)n1)CC2 ZINC001276274459 953046000 /nfs/dbraw/zinc/04/60/00/953046000.db2.gz WLZCVEFVKJYDMJ-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1ccn(C)n1)CC2 ZINC001276274459 953046002 /nfs/dbraw/zinc/04/60/02/953046002.db2.gz WLZCVEFVKJYDMJ-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO C[C@H](C(=O)NCCN(C)CCOCCO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001339881125 953126590 /nfs/dbraw/zinc/12/65/90/953126590.db2.gz IWDLIXSDDGJSFI-QLFBSQMISA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H](C(=O)NCCN(C)CCOCCO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001339881125 953126594 /nfs/dbraw/zinc/12/65/94/953126594.db2.gz IWDLIXSDDGJSFI-QLFBSQMISA-N 1 3 315.458 0.305 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)CC1 ZINC001341627228 953241197 /nfs/dbraw/zinc/24/11/97/953241197.db2.gz NADMXOZBCICJCN-IXDOHACOSA-N 1 3 322.497 0.908 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+][C@@H]1CCN(C)C1=O)C1CC1)C1CCC1 ZINC001366034911 953606396 /nfs/dbraw/zinc/60/63/96/953606396.db2.gz KZIJSWWERZGHCC-CABCVRRESA-N 1 3 322.453 0.186 20 0 DCADHO CCN(C)C(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366068970 953644471 /nfs/dbraw/zinc/64/44/71/953644471.db2.gz UKKIHLDLVXAXOL-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366068970 953644476 /nfs/dbraw/zinc/64/44/76/953644476.db2.gz UKKIHLDLVXAXOL-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366092592 953671768 /nfs/dbraw/zinc/67/17/68/953671768.db2.gz GNFWBFWDKVNJCE-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001366134093 953725543 /nfs/dbraw/zinc/72/55/43/953725543.db2.gz UPLIHKNUUFDGDJ-TUVASFSCSA-N 1 3 313.442 0.105 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001366217422 953845017 /nfs/dbraw/zinc/84/50/17/953845017.db2.gz LXLTZDYIYQVXSJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21)N(C)C ZINC001366235758 953878267 /nfs/dbraw/zinc/87/82/67/953878267.db2.gz RBMOTGWPXNNXTH-RBZJEDDUSA-N 1 3 309.454 0.656 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21)N(C)C ZINC001366235758 953878280 /nfs/dbraw/zinc/87/82/80/953878280.db2.gz RBMOTGWPXNNXTH-RBZJEDDUSA-N 1 3 309.454 0.656 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001366276891 953939516 /nfs/dbraw/zinc/93/95/16/953939516.db2.gz VXFZMCWSVXNVDX-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001366276891 953939523 /nfs/dbraw/zinc/93/95/23/953939523.db2.gz VXFZMCWSVXNVDX-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CN(CC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001283075038 953984632 /nfs/dbraw/zinc/98/46/32/953984632.db2.gz LSAJYIFBJYWOBS-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001283075038 953984639 /nfs/dbraw/zinc/98/46/39/953984639.db2.gz LSAJYIFBJYWOBS-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCCCC1 ZINC001366319614 954018997 /nfs/dbraw/zinc/01/89/97/954018997.db2.gz DASZJOHMANQWCK-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001366354679 954084204 /nfs/dbraw/zinc/08/42/04/954084204.db2.gz QZELHATZZCNFRT-WFASDCNBSA-N 1 3 320.437 0.720 20 0 DCADHO COc1cc(CN[C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001446942236 1013122555 /nfs/dbraw/zinc/12/25/55/1013122555.db2.gz QTFNQEJEQVQKMX-OLZOCXBDSA-N 1 3 324.425 0.962 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)C[C@@H]1C[C@@]12CCOC2)C1CCC1 ZINC001366536356 954369804 /nfs/dbraw/zinc/36/98/04/954369804.db2.gz KSNKBAUZRDQAAV-WMLDXEAASA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)C[C@@H]1C[C@@]12CCOC2)C1CCC1 ZINC001366536356 954369816 /nfs/dbraw/zinc/36/98/16/954369816.db2.gz KSNKBAUZRDQAAV-WMLDXEAASA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)CCc2ccnn2C)C1 ZINC001366564068 954429721 /nfs/dbraw/zinc/42/97/21/954429721.db2.gz ADVMSAXMLYMGOZ-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)CCc2ccnn2C)C1 ZINC001366564068 954429728 /nfs/dbraw/zinc/42/97/28/954429728.db2.gz ADVMSAXMLYMGOZ-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO CC[C@@H](C(=O)NCC[N@H+](C)C[C@H](O)CC(F)(F)F)N(C)C ZINC001366564551 954429918 /nfs/dbraw/zinc/42/99/18/954429918.db2.gz VTTHQTXFFCMWKL-MNOVXSKESA-N 1 3 313.364 0.688 20 0 DCADHO CC[C@@H](C(=O)NCC[N@@H+](C)C[C@H](O)CC(F)(F)F)N(C)C ZINC001366564551 954429927 /nfs/dbraw/zinc/42/99/27/954429927.db2.gz VTTHQTXFFCMWKL-MNOVXSKESA-N 1 3 313.364 0.688 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366707572 954687722 /nfs/dbraw/zinc/68/77/22/954687722.db2.gz PDVDPWBZAHSLFY-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366707572 954687726 /nfs/dbraw/zinc/68/77/26/954687726.db2.gz PDVDPWBZAHSLFY-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001349378665 954731289 /nfs/dbraw/zinc/73/12/89/954731289.db2.gz IBLNASLFZGGAMA-UKRRQHHQSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001349378665 954731299 /nfs/dbraw/zinc/73/12/99/954731299.db2.gz IBLNASLFZGGAMA-UKRRQHHQSA-N 1 3 312.458 0.147 20 0 DCADHO CN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C1(C[NH3+])CCCCC1 ZINC001349797165 954883484 /nfs/dbraw/zinc/88/34/84/954883484.db2.gz WLOLTWBRUVGBES-UONOGXRCSA-N 1 3 322.453 0.269 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001366835556 954909455 /nfs/dbraw/zinc/90/94/55/954909455.db2.gz KOQDFVYOXRFOPT-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2cnnn2C)CCCC1)N(C)C ZINC001367159041 955414839 /nfs/dbraw/zinc/41/48/39/955414839.db2.gz PEHYNGKLMXVBBL-AWEZNQCLSA-N 1 3 322.457 0.674 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)[C@H]1CCCN1C ZINC001351804555 955417062 /nfs/dbraw/zinc/41/70/62/955417062.db2.gz DOOZUZYGZOZKPW-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)[C@H]1CCCN1C ZINC001351804555 955417068 /nfs/dbraw/zinc/41/70/68/955417068.db2.gz DOOZUZYGZOZKPW-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001367179047 955436235 /nfs/dbraw/zinc/43/62/35/955436235.db2.gz CUNNKNRQUAABDM-DYVFJYSZSA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001367179047 955436240 /nfs/dbraw/zinc/43/62/40/955436240.db2.gz CUNNKNRQUAABDM-DYVFJYSZSA-N 1 3 324.469 0.468 20 0 DCADHO Cc1ncoc1CNC[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367298999 955610130 /nfs/dbraw/zinc/61/01/30/955610130.db2.gz ZQMABGKBBPCROS-LBPRGKRZSA-N 1 3 306.410 0.921 20 0 DCADHO [NH3+]CCNCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001353482434 956077840 /nfs/dbraw/zinc/07/78/40/956077840.db2.gz LKTNLSJUVPCYQU-MRXNPFEDSA-N 1 3 304.438 0.878 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001353701476 956150933 /nfs/dbraw/zinc/15/09/33/956150933.db2.gz VLPGVGMHMWQIRO-ILXRZTDVSA-N 1 3 323.437 0.233 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367390480 957758377 /nfs/dbraw/zinc/75/83/77/957758377.db2.gz XBNIBGAJHZQXAK-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367426482 957797688 /nfs/dbraw/zinc/79/76/88/957797688.db2.gz VBGSDEYRNPLJIB-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367426482 957797702 /nfs/dbraw/zinc/79/77/02/957797702.db2.gz VBGSDEYRNPLJIB-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCc1cnnn1C ZINC001367433743 957804353 /nfs/dbraw/zinc/80/43/53/957804353.db2.gz AWFNPODQLXHCDQ-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1cn(C)nn1 ZINC001367574554 958084819 /nfs/dbraw/zinc/08/48/19/958084819.db2.gz HNDUPEZAFZLOGK-HIFRSBDPSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1cn(C)nn1 ZINC001367574554 958084825 /nfs/dbraw/zinc/08/48/25/958084825.db2.gz HNDUPEZAFZLOGK-HIFRSBDPSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001367636565 958238831 /nfs/dbraw/zinc/23/88/31/958238831.db2.gz DSHXYSODCVPVGT-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001367673582 958329551 /nfs/dbraw/zinc/32/95/51/958329551.db2.gz FSGNAHNAUJVJMS-LLVKDONJSA-N 1 3 319.413 0.675 20 0 DCADHO CO[C@@H](C[NH2+]C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1)C1CCCC1 ZINC001367673679 958329882 /nfs/dbraw/zinc/32/98/82/958329882.db2.gz WTHBIDNDOSPTKX-RISCZKNCSA-N 1 3 323.441 0.955 20 0 DCADHO CO[C@@H](C[NH2+]C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1)C1CCCC1 ZINC001367673679 958329895 /nfs/dbraw/zinc/32/98/95/958329895.db2.gz WTHBIDNDOSPTKX-RISCZKNCSA-N 1 3 323.441 0.955 20 0 DCADHO Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CCN(C)C1=O ZINC001367674528 958331647 /nfs/dbraw/zinc/33/16/47/958331647.db2.gz DGSOABQNPWWUKR-ZWNOBZJWSA-N 1 3 322.409 0.754 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1ccc2c(c1)CCCO2 ZINC001367674520 958332183 /nfs/dbraw/zinc/33/21/83/958332183.db2.gz DGQCYKXPQMKEGU-GFCCVEGCSA-N 1 3 319.405 0.394 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367695341 958390682 /nfs/dbraw/zinc/39/06/82/958390682.db2.gz VCANWGOELRNMGK-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367712483 958424104 /nfs/dbraw/zinc/42/41/04/958424104.db2.gz MFJGFHRVIUDCSP-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367712483 958424119 /nfs/dbraw/zinc/42/41/19/958424119.db2.gz MFJGFHRVIUDCSP-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO COc1coc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001367771480 958542582 /nfs/dbraw/zinc/54/25/82/958542582.db2.gz IWEJLZFNMXOHID-NWDGAFQWSA-N 1 3 323.393 0.194 20 0 DCADHO COc1coc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001367771480 958542587 /nfs/dbraw/zinc/54/25/87/958542587.db2.gz IWEJLZFNMXOHID-NWDGAFQWSA-N 1 3 323.393 0.194 20 0 DCADHO C[C@@H](CNC(=O)C1([NH+](C)C)CCCC1)CN1CCN(C)CC1 ZINC001362073779 958694392 /nfs/dbraw/zinc/69/43/92/958694392.db2.gz SKVJBAWMNGWRGJ-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001362095845 958729537 /nfs/dbraw/zinc/72/95/37/958729537.db2.gz JBGWTFQDMWQXGZ-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001362095845 958729558 /nfs/dbraw/zinc/72/95/58/958729558.db2.gz JBGWTFQDMWQXGZ-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCCNC1=O ZINC001491578785 958870773 /nfs/dbraw/zinc/87/07/73/958870773.db2.gz HICJISGNBCKDQU-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001376805848 958888121 /nfs/dbraw/zinc/88/81/21/958888121.db2.gz DOYVMOCWCZIHMQ-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CC[C@H](N[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001491643004 958996586 /nfs/dbraw/zinc/99/65/86/958996586.db2.gz WTGOSMWLWQLMAV-KGLIPLIRSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN([C@H]2CCN(C)C2=O)CC1 ZINC001376894758 959084106 /nfs/dbraw/zinc/08/41/06/959084106.db2.gz IKSSWQMMYUCSHT-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN([C@H]2CCN(C)C2=O)CC1 ZINC001376894758 959084118 /nfs/dbraw/zinc/08/41/18/959084118.db2.gz IKSSWQMMYUCSHT-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001368104515 959244631 /nfs/dbraw/zinc/24/46/31/959244631.db2.gz SOXRNVXZZWXDSK-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001376996925 959283666 /nfs/dbraw/zinc/28/36/66/959283666.db2.gz ANWZXDBPCDBOIW-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001376996925 959283677 /nfs/dbraw/zinc/28/36/77/959283677.db2.gz ANWZXDBPCDBOIW-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001491855653 959309403 /nfs/dbraw/zinc/30/94/03/959309403.db2.gz GHKMGQXKUOUWOF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1ccc(CN[C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001491886321 959354370 /nfs/dbraw/zinc/35/43/70/959354370.db2.gz MPHRYGJQLVDJNQ-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001377069139 959423492 /nfs/dbraw/zinc/42/34/92/959423492.db2.gz WGVPTJOJQYRWFH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001377069139 959423503 /nfs/dbraw/zinc/42/35/03/959423503.db2.gz WGVPTJOJQYRWFH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368251521 959519910 /nfs/dbraw/zinc/51/99/10/959519910.db2.gz PQWHDDPQBZQVNP-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368251521 959519924 /nfs/dbraw/zinc/51/99/24/959519924.db2.gz PQWHDDPQBZQVNP-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001492130197 959609212 /nfs/dbraw/zinc/60/92/12/959609212.db2.gz ZZFKUNIBRDHVRE-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1)N(C)C ZINC001368345901 959706095 /nfs/dbraw/zinc/70/60/95/959706095.db2.gz HRNJUQSDNKUIBW-MGPQQGTHSA-N 1 3 312.458 0.324 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001377249094 959789779 /nfs/dbraw/zinc/78/97/79/959789779.db2.gz KXXGINSORPTSLH-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001377249094 959789784 /nfs/dbraw/zinc/78/97/84/959789784.db2.gz KXXGINSORPTSLH-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO CCCNC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001377298489 959884479 /nfs/dbraw/zinc/88/44/79/959884479.db2.gz AGKKNQUITAMRIA-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001368456787 959893541 /nfs/dbraw/zinc/89/35/41/959893541.db2.gz FTVANUXKQAESEF-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001368459959 959895669 /nfs/dbraw/zinc/89/56/69/959895669.db2.gz OMZNBJVNPLHFJL-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001368480838 959924360 /nfs/dbraw/zinc/92/43/60/959924360.db2.gz SYYXJBWGEQMKHF-GUTXKFCHSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1CCN1CCCC1=O ZINC001377393123 960022886 /nfs/dbraw/zinc/02/28/86/960022886.db2.gz NMYJRXOCYYNHSP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001368649109 960120296 /nfs/dbraw/zinc/12/02/96/960120296.db2.gz GCWPCKKMTQXHQB-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CCN1CC[C@@H](N2CC[C@H](CNC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001377464408 960144554 /nfs/dbraw/zinc/14/45/54/960144554.db2.gz PSKNYXUIPDTPTD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](N2CC[C@H](CNC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001377464408 960144561 /nfs/dbraw/zinc/14/45/61/960144561.db2.gz PSKNYXUIPDTPTD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC001308293863 960174706 /nfs/dbraw/zinc/17/47/06/960174706.db2.gz XGIUYOOEDAVREJ-OAHLLOKOSA-N 1 3 318.469 0.802 20 0 DCADHO C[C@H]1CCCN1CC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC001308293862 960175307 /nfs/dbraw/zinc/17/53/07/960175307.db2.gz XGIUYOOEDAVREJ-HNNXBMFYSA-N 1 3 318.469 0.802 20 0 DCADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](CCCF)CC1)N(C)C ZINC001368763814 960241072 /nfs/dbraw/zinc/24/10/72/960241072.db2.gz FSLIVJTUHJGNMZ-ZDUSSCGKSA-N 1 3 303.422 0.629 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCn1cncn1 ZINC001368793621 960279479 /nfs/dbraw/zinc/27/94/79/960279479.db2.gz UYOZLKNYXKAZIR-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCn1cncn1 ZINC001368793621 960279484 /nfs/dbraw/zinc/27/94/84/960279484.db2.gz UYOZLKNYXKAZIR-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)C1=O ZINC001377581409 960312828 /nfs/dbraw/zinc/31/28/28/960312828.db2.gz NPSQGBPYSCBRKZ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001377596858 960338055 /nfs/dbraw/zinc/33/80/55/960338055.db2.gz VDOBLBAQJUCQPH-KGLIPLIRSA-N 1 3 314.474 0.630 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001378245741 960421047 /nfs/dbraw/zinc/42/10/47/960421047.db2.gz AFFYSBHRLUNJSX-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001378245741 960421052 /nfs/dbraw/zinc/42/10/52/960421052.db2.gz AFFYSBHRLUNJSX-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001378298755 960530794 /nfs/dbraw/zinc/53/07/94/960530794.db2.gz KOYPBFPMXRTQCR-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCn2cncn2)C1)N(C)C ZINC001377757839 960585772 /nfs/dbraw/zinc/58/57/72/960585772.db2.gz IINYXMIPXZCMEJ-GJZGRUSLSA-N 1 3 322.457 0.399 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCn2cncn2)C1)N(C)C ZINC001377757839 960585786 /nfs/dbraw/zinc/58/57/86/960585786.db2.gz IINYXMIPXZCMEJ-GJZGRUSLSA-N 1 3 322.457 0.399 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCN(C)C2=O)C1 ZINC001377761520 960596022 /nfs/dbraw/zinc/59/60/22/960596022.db2.gz OSNDENUGOXHPAV-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCN(C)C2=O)C1 ZINC001377761520 960596039 /nfs/dbraw/zinc/59/60/39/960596039.db2.gz OSNDENUGOXHPAV-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001549047058 1013238512 /nfs/dbraw/zinc/23/85/12/1013238512.db2.gz GAKSUPYVQHWDCS-DMDPSCGWSA-N 1 3 305.369 0.714 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001378802386 961506942 /nfs/dbraw/zinc/50/69/42/961506942.db2.gz KCRSJNWVRWPEME-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001378860628 961619615 /nfs/dbraw/zinc/61/96/15/961619615.db2.gz UAJSGZNAVLAGPB-OLZOCXBDSA-N 1 3 320.437 0.672 20 0 DCADHO CNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001378919784 961706232 /nfs/dbraw/zinc/70/62/32/961706232.db2.gz KBSLIBUWBCMESJ-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CN(C)CCN1CCCC1=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379739570 961905380 /nfs/dbraw/zinc/90/53/80/961905380.db2.gz JHNYXKUIFOIFMF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)CCN1CCCC1=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379739570 961905402 /nfs/dbraw/zinc/90/54/02/961905402.db2.gz JHNYXKUIFOIFMF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001379215921 962382990 /nfs/dbraw/zinc/38/29/90/962382990.db2.gz FLJOUEMVYRQLEH-NSHDSACASA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCC(=O)N(C)C)[NH+](C)C ZINC001379229963 962411626 /nfs/dbraw/zinc/41/16/26/962411626.db2.gz NUWYKCYTQGUZJM-GXTWGEPZSA-N 1 3 300.447 0.097 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C\Cl ZINC001379231357 962418971 /nfs/dbraw/zinc/41/89/71/962418971.db2.gz QVZNKGLJTZSKPC-QEFZOKHDSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C\Cl ZINC001379231357 962418982 /nfs/dbraw/zinc/41/89/82/962418982.db2.gz QVZNKGLJTZSKPC-QEFZOKHDSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C\Cl ZINC001379231357 962418991 /nfs/dbraw/zinc/41/89/91/962418991.db2.gz QVZNKGLJTZSKPC-QEFZOKHDSA-N 1 3 324.252 0.856 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001380072841 962615076 /nfs/dbraw/zinc/61/50/76/962615076.db2.gz FXJURYZNEMGEAZ-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO COc1coc(CNC[C@@H](C)NC(=O)CC[NH+](C)C)cc1=O ZINC001379418100 962882699 /nfs/dbraw/zinc/88/26/99/962882699.db2.gz MNUYBEOIEMESAL-LLVKDONJSA-N 1 3 311.382 0.194 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001379421354 962885870 /nfs/dbraw/zinc/88/58/70/962885870.db2.gz IHTPNJJOUGWVCL-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001379421354 962885879 /nfs/dbraw/zinc/88/58/79/962885879.db2.gz IHTPNJJOUGWVCL-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](CO)NCc2ccc(F)cc2)CC1 ZINC001379484118 963030162 /nfs/dbraw/zinc/03/01/62/963030162.db2.gz ZDIMYASTPKMIPE-OAHLLOKOSA-N 1 3 323.412 0.734 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1)C(N)=O ZINC001380326517 963042417 /nfs/dbraw/zinc/04/24/17/963042417.db2.gz FFSDUVXKJBDMLM-TZMCWYRMSA-N 1 3 322.453 0.221 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001379504894 963081205 /nfs/dbraw/zinc/08/12/05/963081205.db2.gz ATGKMLWAXMIOQJ-GXTWGEPZSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001379504894 963081218 /nfs/dbraw/zinc/08/12/18/963081218.db2.gz ATGKMLWAXMIOQJ-GXTWGEPZSA-N 1 3 310.442 0.232 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN(CCn2cccn2)C1 ZINC001380359381 963102802 /nfs/dbraw/zinc/10/28/02/963102802.db2.gz PGGLTMSYWNPUOA-MRXNPFEDSA-N 1 3 307.442 0.806 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001379581171 963212138 /nfs/dbraw/zinc/21/21/38/963212138.db2.gz GABBZAVDPSIIPN-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001379689198 963385806 /nfs/dbraw/zinc/38/58/06/963385806.db2.gz NMEXURALXDEBGQ-RHSMWYFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001379689198 963385813 /nfs/dbraw/zinc/38/58/13/963385813.db2.gz NMEXURALXDEBGQ-RHSMWYFYSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)NCC1CN(C(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001430385521 1013421450 /nfs/dbraw/zinc/42/14/50/1013421450.db2.gz VWBCZOSDKTXRAI-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001380703428 963505344 /nfs/dbraw/zinc/50/53/44/963505344.db2.gz JNWLLTXNMMUKNM-SOUVJXGZSA-N 1 3 311.470 0.735 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001380703428 963505352 /nfs/dbraw/zinc/50/53/52/963505352.db2.gz JNWLLTXNMMUKNM-SOUVJXGZSA-N 1 3 311.470 0.735 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001447448404 1013426074 /nfs/dbraw/zinc/42/60/74/1013426074.db2.gz XJZJKPMXOJUUIU-HDJSIYSDSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001380804425 963593252 /nfs/dbraw/zinc/59/32/52/963593252.db2.gz RVLAGWUKBJFDFA-JOCQHMNTSA-N 1 3 321.425 0.271 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001381311996 963963983 /nfs/dbraw/zinc/96/39/83/963963983.db2.gz IOEUDQRCZYSVDJ-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001381311996 963963988 /nfs/dbraw/zinc/96/39/88/963963988.db2.gz IOEUDQRCZYSVDJ-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001381388881 964043843 /nfs/dbraw/zinc/04/38/43/964043843.db2.gz AVJSVWKFZVQCHL-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001447548871 1013469713 /nfs/dbraw/zinc/46/97/13/1013469713.db2.gz URAVORPWOIRDMP-STQMWFEESA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O ZINC001368923627 964133537 /nfs/dbraw/zinc/13/35/37/964133537.db2.gz JZAHPXOYKFFVPM-GFCCVEGCSA-N 1 3 300.447 0.275 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001375270116 964189477 /nfs/dbraw/zinc/18/94/77/964189477.db2.gz IKBAYJWQQBDBOZ-HNNXBMFYSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001375516253 964499918 /nfs/dbraw/zinc/49/99/18/964499918.db2.gz ZPFMKRAAAMJKJA-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001375544484 964534322 /nfs/dbraw/zinc/53/43/22/964534322.db2.gz SZEHEUTZNTXUKP-HDJSIYSDSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001369250769 964596703 /nfs/dbraw/zinc/59/67/03/964596703.db2.gz KFGQQBYPZNXEPP-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001369252183 964602148 /nfs/dbraw/zinc/60/21/48/964602148.db2.gz ODQXTYPDYZCLMX-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCCC[C@H](NCC(=O)N2CCC2)C1 ZINC001375653644 964668484 /nfs/dbraw/zinc/66/84/84/964668484.db2.gz VAABVKWJWVZIJQ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCCNC1=O ZINC001369298231 964678885 /nfs/dbraw/zinc/67/88/85/964678885.db2.gz RTWWQSUZYHIPPF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCCNC1=O ZINC001369298231 964678891 /nfs/dbraw/zinc/67/88/91/964678891.db2.gz RTWWQSUZYHIPPF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H](C)C(=O)NC)CCCC1)N(C)C ZINC001373859700 964723994 /nfs/dbraw/zinc/72/39/94/964723994.db2.gz FFGQHMSPAXXSTP-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001375757344 964802429 /nfs/dbraw/zinc/80/24/29/964802429.db2.gz CYXFCPMZUUYACZ-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001375769850 964820687 /nfs/dbraw/zinc/82/06/87/964820687.db2.gz ZSBZQZKWLFCXIA-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001373967027 964831236 /nfs/dbraw/zinc/83/12/36/964831236.db2.gz PHMKGGJTMSGQCG-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001373971712 964836095 /nfs/dbraw/zinc/83/60/95/964836095.db2.gz MKNJKMKKMFZJFD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)NC1CC1 ZINC001374031808 964914579 /nfs/dbraw/zinc/91/45/79/964914579.db2.gz WHYNSQPIRQLTOT-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001369410058 964925904 /nfs/dbraw/zinc/92/59/04/964925904.db2.gz WYCKPZHLOSCELV-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001369410058 964925912 /nfs/dbraw/zinc/92/59/12/964925912.db2.gz WYCKPZHLOSCELV-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001374079852 964988621 /nfs/dbraw/zinc/98/86/21/964988621.db2.gz QHSIKEVJMVOJKS-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCc1ccccn1)[NH+](C)C ZINC001369469029 965032687 /nfs/dbraw/zinc/03/26/87/965032687.db2.gz CUELFNUMHMLTMQ-HOTGVXAUSA-N 1 3 322.453 0.577 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)NC1CC1)C(C)(C)C ZINC001369565325 965176410 /nfs/dbraw/zinc/17/64/10/965176410.db2.gz RSWLZIILZKZBQH-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@@H+](CCC(C)C)C1 ZINC001376088582 965182301 /nfs/dbraw/zinc/18/23/01/965182301.db2.gz HAKDYRCUWLAARS-INIZCTEOSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@H+](CCC(C)C)C1 ZINC001376088582 965182311 /nfs/dbraw/zinc/18/23/11/965182311.db2.gz HAKDYRCUWLAARS-INIZCTEOSA-N 1 3 308.426 0.860 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CC(NCc2cnnn2C)C1)[NH+](C)C ZINC001369579211 965192307 /nfs/dbraw/zinc/19/23/07/965192307.db2.gz SALHDWIYMORPEN-SSDMNJCBSA-N 1 3 322.457 0.480 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374289106 965229873 /nfs/dbraw/zinc/22/98/73/965229873.db2.gz UEGHAMYMSCUKGC-CHWSQXEVSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](O)CCCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376135143 965260833 /nfs/dbraw/zinc/26/08/33/965260833.db2.gz PPVMDFSYXQLWNS-GJZGRUSLSA-N 1 3 309.454 0.966 20 0 DCADHO Cc1nc(CNC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001374392578 965336585 /nfs/dbraw/zinc/33/65/85/965336585.db2.gz CELSOCHSUFNBSL-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)C1=O ZINC001376491060 965730809 /nfs/dbraw/zinc/73/08/09/965730809.db2.gz QBJWKUGONJEEHO-BARDWOONSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001374712442 965797798 /nfs/dbraw/zinc/79/77/98/965797798.db2.gz KXWDDIIQPHNUPW-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001374712442 965797807 /nfs/dbraw/zinc/79/78/07/965797807.db2.gz KXWDDIIQPHNUPW-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374714241 965801038 /nfs/dbraw/zinc/80/10/38/965801038.db2.gz QDVFWODQQXULKA-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374714241 965801050 /nfs/dbraw/zinc/80/10/50/965801050.db2.gz QDVFWODQQXULKA-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001374721111 965813733 /nfs/dbraw/zinc/81/37/33/965813733.db2.gz LSEZNQYIEOMNEO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]C[C@H](C)O)CC1 ZINC001376613651 965891973 /nfs/dbraw/zinc/89/19/73/965891973.db2.gz GPNZJWWAGBBHSX-UBHSHLNASA-N 1 3 308.426 0.906 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001374849124 966027858 /nfs/dbraw/zinc/02/78/58/966027858.db2.gz KJPAXOOGAYECLP-HIFRSBDPSA-N 1 3 312.458 0.337 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CC(=O)NC2CC2)CCC1)C1CCC1 ZINC001376735033 966093510 /nfs/dbraw/zinc/09/35/10/966093510.db2.gz ANWLRBKUPAIXOP-UHFFFAOYSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCCNC1=O ZINC001376744095 966105472 /nfs/dbraw/zinc/10/54/72/966105472.db2.gz CYCXSTTVTNRSTC-KGLIPLIRSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001376748856 966113401 /nfs/dbraw/zinc/11/34/01/966113401.db2.gz RZRCTHBCQLSSOS-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001376748856 966113409 /nfs/dbraw/zinc/11/34/09/966113409.db2.gz RZRCTHBCQLSSOS-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374926459 966147084 /nfs/dbraw/zinc/14/70/84/966147084.db2.gz KJYFQHCHSMVVPU-XDQVBPFNSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374926459 966147093 /nfs/dbraw/zinc/14/70/93/966147093.db2.gz KJYFQHCHSMVVPU-XDQVBPFNSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001370525725 966214360 /nfs/dbraw/zinc/21/43/60/966214360.db2.gz ZUXVNICHXANLSW-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001375097203 966350738 /nfs/dbraw/zinc/35/07/38/966350738.db2.gz VZSXOHRXRBUNQH-ZDUSSCGKSA-N 1 3 308.430 0.056 20 0 DCADHO Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001381424058 966402336 /nfs/dbraw/zinc/40/23/36/966402336.db2.gz UNCASGFVAOKGQR-GHMZBOCLSA-N 1 3 308.430 0.438 20 0 DCADHO C[C@@H](NCc1cccc(C(N)=O)c1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001381424082 966403599 /nfs/dbraw/zinc/40/35/99/966403599.db2.gz UTURWONACGBYFG-CHWSQXEVSA-N 1 3 320.437 0.720 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001381471802 966444806 /nfs/dbraw/zinc/44/48/06/966444806.db2.gz YQYPGMAKCOJGAA-NWDGAFQWSA-N 1 3 300.447 0.275 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001381500306 966468007 /nfs/dbraw/zinc/46/80/07/966468007.db2.gz HKSDCOTUPFRQCE-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001381521488 966497010 /nfs/dbraw/zinc/49/70/10/966497010.db2.gz YGNYNYZISRBVPK-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001381521488 966497015 /nfs/dbraw/zinc/49/70/15/966497015.db2.gz YGNYNYZISRBVPK-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001447935493 1013658081 /nfs/dbraw/zinc/65/80/81/1013658081.db2.gz RKUKMVGTLMYHEL-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001370966838 966626173 /nfs/dbraw/zinc/62/61/73/966626173.db2.gz RQLMIUWFBJUQPD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001370966838 966626177 /nfs/dbraw/zinc/62/61/77/966626177.db2.gz RQLMIUWFBJUQPD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001382091941 966931513 /nfs/dbraw/zinc/93/15/13/966931513.db2.gz NXBSACZRUSWZHH-QWHCGFSZSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)NCC(N)=O ZINC001382104731 966943314 /nfs/dbraw/zinc/94/33/14/966943314.db2.gz WGYKIHPYUVBNKI-LBPRGKRZSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCC(N)=O ZINC001382104731 966943321 /nfs/dbraw/zinc/94/33/21/966943321.db2.gz WGYKIHPYUVBNKI-LBPRGKRZSA-N 1 3 312.458 0.561 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001371431106 966986921 /nfs/dbraw/zinc/98/69/21/966986921.db2.gz SQNLNVDCVJXTQU-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001371431106 966986928 /nfs/dbraw/zinc/98/69/28/966986928.db2.gz SQNLNVDCVJXTQU-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO COc1ccc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001382163793 966996930 /nfs/dbraw/zinc/99/69/30/966996930.db2.gz QPTALPJUJNAESP-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO COc1ccc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001382163793 966996937 /nfs/dbraw/zinc/99/69/37/966996937.db2.gz QPTALPJUJNAESP-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCC(=O)N(C)C ZINC001382171187 967003210 /nfs/dbraw/zinc/00/32/10/967003210.db2.gz ZMIGAAHJXAGBHI-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCCN(C)C1=O ZINC001371468116 967017322 /nfs/dbraw/zinc/01/73/22/967017322.db2.gz TZMJJXCMPXRMDS-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001382197198 967049705 /nfs/dbraw/zinc/04/97/05/967049705.db2.gz VHKDKPWIEWTASU-LBPRGKRZSA-N 1 3 323.441 0.566 20 0 DCADHO CN1CCC[C@@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001371532363 967086338 /nfs/dbraw/zinc/08/63/38/967086338.db2.gz RTKFDKOIPBOEGX-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001382220273 967086636 /nfs/dbraw/zinc/08/66/36/967086636.db2.gz WOQNOWXKYFVEFO-HZPDHXFCSA-N 1 3 307.438 0.902 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)NCc1cccc(Cl)c1 ZINC001382240203 967110475 /nfs/dbraw/zinc/11/04/75/967110475.db2.gz WJYGUFXENDDAFK-CQSZACIVSA-N 1 3 313.829 0.858 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001371568683 967129466 /nfs/dbraw/zinc/12/94/66/967129466.db2.gz HELXFGOSABJPRF-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001371568678 967129585 /nfs/dbraw/zinc/12/95/85/967129585.db2.gz HELXFGOSABJPRF-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001382270556 967148000 /nfs/dbraw/zinc/14/80/00/967148000.db2.gz CQTHFLGXQHWESG-IRXDYDNUSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001382270556 967148007 /nfs/dbraw/zinc/14/80/07/967148007.db2.gz CQTHFLGXQHWESG-IRXDYDNUSA-N 1 3 319.449 0.822 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001371626262 967183716 /nfs/dbraw/zinc/18/37/16/967183716.db2.gz CUFMCLUESVGVNQ-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C[C@@H]1C ZINC001382311618 967201858 /nfs/dbraw/zinc/20/18/58/967201858.db2.gz KQPFXMIYKOOZJJ-ZFWWWQNUSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001371765781 967322793 /nfs/dbraw/zinc/32/27/93/967322793.db2.gz WNIFGIDORYCPMW-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCF ZINC001382465594 967410785 /nfs/dbraw/zinc/41/07/85/967410785.db2.gz QSQXICBEPJAWPO-GJZGRUSLSA-N 1 3 317.449 0.970 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCF ZINC001382465594 967410791 /nfs/dbraw/zinc/41/07/91/967410791.db2.gz QSQXICBEPJAWPO-GJZGRUSLSA-N 1 3 317.449 0.970 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001382585078 967519978 /nfs/dbraw/zinc/51/99/78/967519978.db2.gz ZFOLJOSLOXMUGM-HSBZDZAISA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001372070942 967622339 /nfs/dbraw/zinc/62/23/39/967622339.db2.gz LVDXKOHKDPKZNU-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001372070942 967622346 /nfs/dbraw/zinc/62/23/46/967622346.db2.gz LVDXKOHKDPKZNU-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C(=O)CN1CCCC1 ZINC001382981235 967820946 /nfs/dbraw/zinc/82/09/46/967820946.db2.gz IUTSXCDKWZMRQH-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)CN1CCCC1 ZINC001382981235 967820955 /nfs/dbraw/zinc/82/09/55/967820955.db2.gz IUTSXCDKWZMRQH-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001372529549 968089558 /nfs/dbraw/zinc/08/95/58/968089558.db2.gz NGCRBSQGLIEFDC-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001372529549 968089566 /nfs/dbraw/zinc/08/95/66/968089566.db2.gz NGCRBSQGLIEFDC-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001372530759 968091425 /nfs/dbraw/zinc/09/14/25/968091425.db2.gz OTGPPQZXRVQQTD-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001372530759 968091437 /nfs/dbraw/zinc/09/14/37/968091437.db2.gz OTGPPQZXRVQQTD-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCN2CCCC2=O)C1)N(C)C ZINC001372631284 968195415 /nfs/dbraw/zinc/19/54/15/968195415.db2.gz WRJGIDODKGVRFS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)N(C)C ZINC001372631284 968195420 /nfs/dbraw/zinc/19/54/20/968195420.db2.gz WRJGIDODKGVRFS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001448214823 1013827729 /nfs/dbraw/zinc/82/77/29/1013827729.db2.gz BUGBVEOVZGLEIQ-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001373536793 969204866 /nfs/dbraw/zinc/20/48/66/969204866.db2.gz HRBZODLOWIGCOH-LSDHHAIUSA-N 1 3 309.454 0.803 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)C1 ZINC001373608955 969294203 /nfs/dbraw/zinc/29/42/03/969294203.db2.gz SVBZJZWPDFKEAF-AWEZNQCLSA-N 1 3 307.442 0.495 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)C1 ZINC001373608955 969294207 /nfs/dbraw/zinc/29/42/07/969294207.db2.gz SVBZJZWPDFKEAF-AWEZNQCLSA-N 1 3 307.442 0.495 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001431066898 1013893149 /nfs/dbraw/zinc/89/31/49/1013893149.db2.gz NSKIOAQDIWABSM-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431066898 1013893155 /nfs/dbraw/zinc/89/31/55/1013893155.db2.gz NSKIOAQDIWABSM-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO C[C@@H](NCCF)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001448452477 1013917644 /nfs/dbraw/zinc/91/76/44/1013917644.db2.gz GRFHLCROYHQWJE-ZIAGYGMSSA-N 1 3 313.417 0.790 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@H](C)C(=O)NC)CC1)N(C)C ZINC001448543532 1013947265 /nfs/dbraw/zinc/94/72/65/1013947265.db2.gz ZRGIJLQPNXQNLZ-OCCSQVGLSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@H](C)C(=O)NC)CC1)N(C)C ZINC001448543532 1013947269 /nfs/dbraw/zinc/94/72/69/1013947269.db2.gz ZRGIJLQPNXQNLZ-OCCSQVGLSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)C)N(C)C ZINC001448558480 1013950323 /nfs/dbraw/zinc/95/03/23/1013950323.db2.gz NMPRWFOSDUPHIM-MCIONIFRSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001448715152 1014008887 /nfs/dbraw/zinc/00/88/87/1014008887.db2.gz IFMYCUYYBMJHES-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCc1cnn(C)c1 ZINC001448727859 1014013877 /nfs/dbraw/zinc/01/38/77/1014013877.db2.gz GYBAMDGCMRRAHB-GFCCVEGCSA-N 1 3 304.398 0.365 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001449016858 1014135927 /nfs/dbraw/zinc/13/59/27/1014135927.db2.gz PYGHRIKLEBEOQB-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001449016858 1014135929 /nfs/dbraw/zinc/13/59/29/1014135929.db2.gz PYGHRIKLEBEOQB-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN1CCC(C)CC1 ZINC001449017390 1014136084 /nfs/dbraw/zinc/13/60/84/1014136084.db2.gz JCZUDLJYUUYETC-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)C[C@@H]1C ZINC001449023173 1014139920 /nfs/dbraw/zinc/13/99/20/1014139920.db2.gz WOCNHPJOKNPJPQ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449029639 1014143994 /nfs/dbraw/zinc/14/39/94/1014143994.db2.gz XMMHKVOSRNAUKT-KGLIPLIRSA-N 1 3 312.458 0.430 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)C(C)(C)C1 ZINC001449093263 1014184526 /nfs/dbraw/zinc/18/45/26/1014184526.db2.gz SUJNBWLFQCZNPK-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001449374067 1014442135 /nfs/dbraw/zinc/44/21/35/1014442135.db2.gz YXOPIDLXEGZVLM-WDEREUQCSA-N 1 3 311.348 0.299 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001522938224 1014480347 /nfs/dbraw/zinc/48/03/47/1014480347.db2.gz KXEXNGCGXISILD-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001522938224 1014480354 /nfs/dbraw/zinc/48/03/54/1014480354.db2.gz KXEXNGCGXISILD-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550062355 1014542091 /nfs/dbraw/zinc/54/20/91/1014542091.db2.gz JBZJVYBXVWRBEV-JSGCOSHPSA-N 1 3 306.414 0.242 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550062355 1014542102 /nfs/dbraw/zinc/54/21/02/1014542102.db2.gz JBZJVYBXVWRBEV-JSGCOSHPSA-N 1 3 306.414 0.242 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001523158476 1014587616 /nfs/dbraw/zinc/58/76/16/1014587616.db2.gz WSFSFLTYRQOQTB-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001523158476 1014587622 /nfs/dbraw/zinc/58/76/22/1014587622.db2.gz WSFSFLTYRQOQTB-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CN(CC(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1)C1CCC1 ZINC001523251254 1014624742 /nfs/dbraw/zinc/62/47/42/1014624742.db2.gz QSQQVYADAYHWTH-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC001550199252 1014623274 /nfs/dbraw/zinc/62/32/74/1014623274.db2.gz ANHDZFOGKCHEPT-AWEZNQCLSA-N 1 3 322.453 0.446 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC001550282743 1014648637 /nfs/dbraw/zinc/64/86/37/1014648637.db2.gz RKUKCKZRCVLCFZ-JALIKCBVSA-N 1 3 310.442 0.489 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550482455 1014727016 /nfs/dbraw/zinc/72/70/16/1014727016.db2.gz DLODIUTXHBFZFR-OHFALNGGSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@@H]1O ZINC001550482455 1014727023 /nfs/dbraw/zinc/72/70/23/1014727023.db2.gz DLODIUTXHBFZFR-OHFALNGGSA-N 1 3 311.470 0.924 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001530511326 1014785353 /nfs/dbraw/zinc/78/53/53/1014785353.db2.gz JFNMXFMWGFOGOE-AWEZNQCLSA-N 1 3 319.409 0.154 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001530511326 1014785366 /nfs/dbraw/zinc/78/53/66/1014785366.db2.gz JFNMXFMWGFOGOE-AWEZNQCLSA-N 1 3 319.409 0.154 20 0 DCADHO [NH3+][C@]1(CO)CCCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001550730721 1014821217 /nfs/dbraw/zinc/82/12/17/1014821217.db2.gz HQRFDVDCMLKWKH-DOTOQJQBSA-N 1 3 318.421 0.369 20 0 DCADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCNC[C@H](O)C1 ZINC001550735994 1014823918 /nfs/dbraw/zinc/82/39/18/1014823918.db2.gz IERANAWREBKZGF-ARFHVFGLSA-N 1 3 318.421 0.108 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001530610097 1014837387 /nfs/dbraw/zinc/83/73/87/1014837387.db2.gz FRVMENHGLJUFJA-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO N[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[C@@H]1F ZINC001550755925 1014842843 /nfs/dbraw/zinc/84/28/43/1014842843.db2.gz NIWWKMZLVXBXNC-RWMBFGLXSA-N 1 3 314.405 0.226 20 0 DCADHO CC(C)(C)CNC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912536 1014910056 /nfs/dbraw/zinc/91/00/56/1014910056.db2.gz JCEUEQODELLPBI-CZUORRHYSA-N 1 3 324.469 0.385 20 0 DCADHO C[NH2+][C@H](C)CNC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551496950 1015117318 /nfs/dbraw/zinc/11/73/18/1015117318.db2.gz KXSZQINSCIIMOY-VQCLRJIVSA-N 1 3 312.458 0.927 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C ZINC001384975319 985995350 /nfs/dbraw/zinc/99/53/50/985995350.db2.gz OOAYDNWTBWITDL-ILXRZTDVSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001450635588 1015265239 /nfs/dbraw/zinc/26/52/39/1015265239.db2.gz ROYPIQRNBATVQQ-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001450635588 1015265242 /nfs/dbraw/zinc/26/52/42/1015265242.db2.gz ROYPIQRNBATVQQ-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C1 ZINC001552099328 1015269056 /nfs/dbraw/zinc/26/90/56/1015269056.db2.gz ZHEZLTQNODHOKS-RRFJBIMHSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001386310988 987061346 /nfs/dbraw/zinc/06/13/46/987061346.db2.gz BQZYOBOICOVHMZ-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001387743040 988109376 /nfs/dbraw/zinc/10/93/76/988109376.db2.gz CFJLPIDSOKWFOL-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001388184658 988124193 /nfs/dbraw/zinc/12/41/93/988124193.db2.gz GMYVFSRVQKAJHH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)CN1CCCC1)[NH+](C)C ZINC001387949230 988317540 /nfs/dbraw/zinc/31/75/40/988317540.db2.gz JLXKMOJCOIUGDN-OAHLLOKOSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C1(C(=O)NCCN(C(=O)CC[NH+](C)C)C2CC2)CCC1 ZINC001388633830 988459916 /nfs/dbraw/zinc/45/99/16/988459916.db2.gz BWIMACORURDEEI-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001388680411 988504911 /nfs/dbraw/zinc/50/49/11/988504911.db2.gz FCJORVIKMQOGNY-CRWXNKLISA-N 1 3 312.458 0.321 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001388700645 988523937 /nfs/dbraw/zinc/52/39/37/988523937.db2.gz XXNPCOUNUWYWBV-BARDWOONSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001388717838 988537123 /nfs/dbraw/zinc/53/71/23/988537123.db2.gz BZXZGFZLNXQPOD-AJNGGQMLSA-N 1 3 324.469 0.288 20 0 DCADHO CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)CN1CCCC1 ZINC001388995925 988724908 /nfs/dbraw/zinc/72/49/08/988724908.db2.gz CRFBSUXVWVZCCP-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001389251405 989031896 /nfs/dbraw/zinc/03/18/96/989031896.db2.gz VPURYOQLRCXTBA-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001389251405 989031902 /nfs/dbraw/zinc/03/19/02/989031902.db2.gz VPURYOQLRCXTBA-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001389738786 989530773 /nfs/dbraw/zinc/53/07/73/989530773.db2.gz XJSOLKHEPLQURD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001389748829 989539868 /nfs/dbraw/zinc/53/98/68/989539868.db2.gz PFWGUVWEYIMEGK-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1)N(C)C ZINC001389865046 989648091 /nfs/dbraw/zinc/64/80/91/989648091.db2.gz DWOZEPOKXRZKDV-NMFUWQPSSA-N 1 3 324.469 0.478 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC001552695965 1015496574 /nfs/dbraw/zinc/49/65/74/1015496574.db2.gz YPFAGXJLSDCHNF-DYEKYZERSA-N 1 3 306.414 0.545 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001390079238 989798687 /nfs/dbraw/zinc/79/86/87/989798687.db2.gz SHBAZKOYWOORHJ-UHFFFAOYSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001390161153 989878586 /nfs/dbraw/zinc/87/85/86/989878586.db2.gz SJAYEZFDOTUXNZ-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001390399887 990060500 /nfs/dbraw/zinc/06/05/00/990060500.db2.gz LNXJIMNXNKPCKB-JSGCOSHPSA-N 1 3 320.441 0.344 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001390462756 990125420 /nfs/dbraw/zinc/12/54/20/990125420.db2.gz NNDLBXPKVWEVHX-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)N1CCCCC1 ZINC001390475488 990133461 /nfs/dbraw/zinc/13/34/61/990133461.db2.gz UYFZPGRAQCWDBK-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001390484094 990140098 /nfs/dbraw/zinc/14/00/98/990140098.db2.gz RKTNNDFTVUDAOE-OCCSQVGLSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001390557495 990198455 /nfs/dbraw/zinc/19/84/55/990198455.db2.gz KGKOSASUHKSKOG-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCn1cncn1 ZINC001390715456 990323920 /nfs/dbraw/zinc/32/39/20/990323920.db2.gz BPRRWTMBTCTMCU-LLVKDONJSA-N 1 3 305.386 0.037 20 0 DCADHO CN(CCNC(=O)CCC[NH+](C)C)Cc1ccn(C)c(=O)c1 ZINC001390806889 990401669 /nfs/dbraw/zinc/40/16/69/990401669.db2.gz IEXOEANJWIYNGW-UHFFFAOYSA-N 1 3 308.426 0.275 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CCN(Cc2cnn(C)c2)C1)[NH+](C)C ZINC001391107866 990594416 /nfs/dbraw/zinc/59/44/16/990594416.db2.gz CARDOHIEQXIVIX-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001552956677 1015575543 /nfs/dbraw/zinc/57/55/43/1015575543.db2.gz UKKWVNNEEZHBLK-ZIAGYGMSSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001552956677 1015575555 /nfs/dbraw/zinc/57/55/55/1015575555.db2.gz UKKWVNNEEZHBLK-ZIAGYGMSSA-N 1 3 321.429 0.178 20 0 DCADHO Cn1ccc(CN(CCNC(=O)CC[NH+](C)C)C2CC2)cc1=O ZINC001391172664 990639299 /nfs/dbraw/zinc/63/92/99/990639299.db2.gz APODJTZNRPZDAD-UHFFFAOYSA-N 1 3 320.437 0.418 20 0 DCADHO Cn1cc(CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001391195781 990659093 /nfs/dbraw/zinc/65/90/93/990659093.db2.gz HTLIWPJUAIELKH-OAHLLOKOSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001391195781 990659095 /nfs/dbraw/zinc/65/90/95/990659095.db2.gz HTLIWPJUAIELKH-OAHLLOKOSA-N 1 3 319.453 0.495 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001391224766 990683711 /nfs/dbraw/zinc/68/37/11/990683711.db2.gz HLGACPVWXDOMAX-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001391224766 990683714 /nfs/dbraw/zinc/68/37/14/990683714.db2.gz HLGACPVWXDOMAX-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001391225955 990684587 /nfs/dbraw/zinc/68/45/87/990684587.db2.gz GHAZKXBYGSMZQP-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)N(C)C)C1)N(C)C ZINC001391344030 990763442 /nfs/dbraw/zinc/76/34/42/990763442.db2.gz YGMVVBXSLRJLMV-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)N(C)C ZINC001391344030 990763446 /nfs/dbraw/zinc/76/34/46/990763446.db2.gz YGMVVBXSLRJLMV-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001391503262 990898720 /nfs/dbraw/zinc/89/87/20/990898720.db2.gz DADUDVLBPZIMOB-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1Cn1nnnc1N1CC[C@@H]2[C@@H]1CCCN2C ZINC001553043013 1015602110 /nfs/dbraw/zinc/60/21/10/1015602110.db2.gz SHENGBVKARVLRK-KFWWJZLASA-N 1 3 319.457 0.830 20 0 DCADHO CC[N@H+]1CCC[C@@H]1Cn1nnnc1N1CC[C@@H]2[C@@H]1CCCN2C ZINC001553043013 1015602115 /nfs/dbraw/zinc/60/21/15/1015602115.db2.gz SHENGBVKARVLRK-KFWWJZLASA-N 1 3 319.457 0.830 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001391829597 991208174 /nfs/dbraw/zinc/20/81/74/991208174.db2.gz CKROYMBHVOEZJB-HDJSIYSDSA-N 1 3 322.457 0.674 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001391920965 991293634 /nfs/dbraw/zinc/29/36/34/991293634.db2.gz NPFDLQYUMZAKGP-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001391966086 991338394 /nfs/dbraw/zinc/33/83/94/991338394.db2.gz SWEPHFOPJXPICH-OCCSQVGLSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391966086 991338397 /nfs/dbraw/zinc/33/83/97/991338397.db2.gz SWEPHFOPJXPICH-OCCSQVGLSA-N 1 3 305.426 0.579 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001392072077 991463192 /nfs/dbraw/zinc/46/31/92/991463192.db2.gz KULTXXCHJFIESI-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001392111020 991504170 /nfs/dbraw/zinc/50/41/70/991504170.db2.gz YPXVEVLKQGYQIJ-LLVKDONJSA-N 1 3 308.430 0.391 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392122051 991516983 /nfs/dbraw/zinc/51/69/83/991516983.db2.gz LUIBLNNTZFSVEE-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1CNCC(N)=O ZINC001392199041 991599462 /nfs/dbraw/zinc/59/94/62/991599462.db2.gz VTWBQSWSZINEOJ-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(=O)N(C)C ZINC001392254390 991658367 /nfs/dbraw/zinc/65/83/67/991658367.db2.gz YEYFGWSLHKWXMB-HIFRSBDPSA-N 1 3 314.474 0.391 20 0 DCADHO Cc1noc(CCC[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001392264088 991671372 /nfs/dbraw/zinc/67/13/72/991671372.db2.gz BQZUVSBZGGBXGS-CQSZACIVSA-N 1 3 323.441 0.795 20 0 DCADHO Cc1noc(CCC[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001392264088 991671378 /nfs/dbraw/zinc/67/13/78/991671378.db2.gz BQZUVSBZGGBXGS-CQSZACIVSA-N 1 3 323.441 0.795 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCCCO2)CCC1 ZINC001392378829 991841750 /nfs/dbraw/zinc/84/17/50/991841750.db2.gz XWBOFLLKYCYITH-KBPBESRZSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(=O)N(C)C ZINC001392794272 992402685 /nfs/dbraw/zinc/40/26/85/992402685.db2.gz MPZDUVIHORPJGC-GXTWGEPZSA-N 1 3 324.469 0.289 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001392813768 992419383 /nfs/dbraw/zinc/41/93/83/992419383.db2.gz SXCJNQPXHAZLHE-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001392813768 992419386 /nfs/dbraw/zinc/41/93/86/992419386.db2.gz SXCJNQPXHAZLHE-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC001392937790 992563270 /nfs/dbraw/zinc/56/32/70/992563270.db2.gz POGJAVKPJDBNCE-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393389389 992937238 /nfs/dbraw/zinc/93/72/38/992937238.db2.gz KGZSQASTFMWVIU-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]CCn1cncn1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393397390 992944361 /nfs/dbraw/zinc/94/43/61/992944361.db2.gz VTXKQSJZEONCFX-CHWSQXEVSA-N 1 3 317.397 0.071 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001393566228 993087993 /nfs/dbraw/zinc/08/79/93/993087993.db2.gz LEPBTJYWPDGFGK-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001394010747 993410191 /nfs/dbraw/zinc/41/01/91/993410191.db2.gz ZMPMAOCFLPLMHL-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001394458174 993723681 /nfs/dbraw/zinc/72/36/81/993723681.db2.gz CLFHDMJWGATFQD-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001394671577 994001837 /nfs/dbraw/zinc/00/18/37/994001837.db2.gz QLHMXRHDZMSLNK-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001394671577 994001846 /nfs/dbraw/zinc/00/18/46/994001846.db2.gz QLHMXRHDZMSLNK-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001394674078 994003569 /nfs/dbraw/zinc/00/35/69/994003569.db2.gz UJCWUKRFFLILCJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001394674075 994004558 /nfs/dbraw/zinc/00/45/58/994004558.db2.gz UJCWUKRFFLILCJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)CN1CCCC1 ZINC001394678197 994011349 /nfs/dbraw/zinc/01/13/49/994011349.db2.gz NUJVPJGFLKVMBU-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NC)C(C)(C)C1 ZINC001394711610 994045063 /nfs/dbraw/zinc/04/50/63/994045063.db2.gz GJRIRGAAKZLLIG-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@@H](C)C(=O)NC)C(C)(C)C1 ZINC001394711610 994045067 /nfs/dbraw/zinc/04/50/67/994045067.db2.gz GJRIRGAAKZLLIG-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001400151929 994207081 /nfs/dbraw/zinc/20/70/81/994207081.db2.gz QWQYVIWGEHHIGH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001400151929 994207088 /nfs/dbraw/zinc/20/70/88/994207088.db2.gz QWQYVIWGEHHIGH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001394855764 994220260 /nfs/dbraw/zinc/22/02/60/994220260.db2.gz OMLGZGGUFBFBTK-GPANFISMSA-N 1 3 321.469 0.882 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507015266 1015890868 /nfs/dbraw/zinc/89/08/68/1015890868.db2.gz HLCYGCONZGACFE-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)CCCS(=O)(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001464587707 1015925536 /nfs/dbraw/zinc/92/55/36/1015925536.db2.gz KLOCAAWTYLXGML-OLZOCXBDSA-N 1 3 303.472 0.730 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C)N(C)C ZINC001396610972 995496066 /nfs/dbraw/zinc/49/60/66/995496066.db2.gz XVVSAFIIQQKICP-HZSPNIEDSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001507079678 1015964946 /nfs/dbraw/zinc/96/49/46/1015964946.db2.gz MVWQTGNYUYOISP-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C)CC[N@H+]1C ZINC001507079678 1015964953 /nfs/dbraw/zinc/96/49/53/1015964953.db2.gz MVWQTGNYUYOISP-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001397097964 995793750 /nfs/dbraw/zinc/79/37/50/995793750.db2.gz NEXBFYPKHIGXOA-OKILXGFUSA-N 1 3 307.442 0.746 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001397119935 995804968 /nfs/dbraw/zinc/80/49/68/995804968.db2.gz KXUKHWZJNQCDEQ-IHRRRGAJSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001397155077 995829454 /nfs/dbraw/zinc/82/94/54/995829454.db2.gz COGHFAADXWGECZ-RRFJBIMHSA-N 1 3 322.457 0.493 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC001397209551 995866345 /nfs/dbraw/zinc/86/63/45/995866345.db2.gz KMNZYGQFDRCYFC-XUXIUFHCSA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001397775425 996169042 /nfs/dbraw/zinc/16/90/42/996169042.db2.gz YSVSDTYBOPAVMA-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001397775425 996169043 /nfs/dbraw/zinc/16/90/43/996169043.db2.gz YSVSDTYBOPAVMA-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO CNC(=O)[C@H](C)N1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001398356704 996484792 /nfs/dbraw/zinc/48/47/92/996484792.db2.gz BYLBXSCETZTTEN-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CN1CC[C@H](N[C@H](CNC(=O)CCC[NH+](C)C)C2CC2)C1=O ZINC001398429298 996512518 /nfs/dbraw/zinc/51/25/18/996512518.db2.gz ADVOFCLWXDMOJG-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)N(C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398468394 996531602 /nfs/dbraw/zinc/53/16/02/996531602.db2.gz FRRQLNNUPUEYKJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001398473359 996533752 /nfs/dbraw/zinc/53/37/52/996533752.db2.gz YLRGQEDSJBRIKR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001398473359 996533754 /nfs/dbraw/zinc/53/37/54/996533754.db2.gz YLRGQEDSJBRIKR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001398525029 996553700 /nfs/dbraw/zinc/55/37/00/996553700.db2.gz ZSGSQPDJRWFUGK-IHRRRGAJSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001398533915 996556335 /nfs/dbraw/zinc/55/63/35/996556335.db2.gz PMJRZFLYMBDKFJ-HNNXBMFYSA-N 1 3 307.442 0.493 20 0 DCADHO O=C(C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)NCC1CCC1 ZINC001398538699 996560788 /nfs/dbraw/zinc/56/07/88/996560788.db2.gz YSVXCQJZGGJBAY-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001398755531 996673916 /nfs/dbraw/zinc/67/39/16/996673916.db2.gz YNRPKPXWPJHPPI-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001398835244 996709236 /nfs/dbraw/zinc/70/92/36/996709236.db2.gz YWOWVESOUCHJJE-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]([NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCC1)C(N)=O ZINC001405381817 998174618 /nfs/dbraw/zinc/17/46/18/998174618.db2.gz CCSMLYISEVOTAK-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001405521571 998294318 /nfs/dbraw/zinc/29/43/18/998294318.db2.gz IDXPFZQTGRLCNA-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1)C1CCC1 ZINC001405600598 998376751 /nfs/dbraw/zinc/37/67/51/998376751.db2.gz VVVCQOONKLVITC-OAHLLOKOSA-N 1 3 322.453 0.330 20 0 DCADHO COCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001505416546 1016222054 /nfs/dbraw/zinc/22/20/54/1016222054.db2.gz NLGBGMKEDHSRDG-USXIJHARSA-N 1 3 317.433 0.956 20 0 DCADHO COCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001505416546 1016222059 /nfs/dbraw/zinc/22/20/59/1016222059.db2.gz NLGBGMKEDHSRDG-USXIJHARSA-N 1 3 317.433 0.956 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001405770215 998547530 /nfs/dbraw/zinc/54/75/30/998547530.db2.gz AOSILKWNVVGOOA-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001405770215 998547537 /nfs/dbraw/zinc/54/75/37/998547537.db2.gz AOSILKWNVVGOOA-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001507298495 1016228697 /nfs/dbraw/zinc/22/86/97/1016228697.db2.gz QCWHXZLEEHKZIF-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001505426847 1016233493 /nfs/dbraw/zinc/23/34/93/1016233493.db2.gz BVGTYIRPKXHUKQ-QEJZJMRPSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCO)[C@@H]2C1 ZINC001507370588 1016286309 /nfs/dbraw/zinc/28/63/09/1016286309.db2.gz ZMXUXWZGJZWNFZ-XHSDSOJGSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCN1CCCC1=O ZINC001505621256 1016362301 /nfs/dbraw/zinc/36/23/01/1016362301.db2.gz FJKVCPQSHDMRTC-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)C1=O ZINC001401222743 1000286240 /nfs/dbraw/zinc/28/62/40/1000286240.db2.gz UPTBZPFDNIVJHO-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001401236971 1000298106 /nfs/dbraw/zinc/29/81/06/1000298106.db2.gz IFMLSUGBIXKBDW-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401258178 1000315514 /nfs/dbraw/zinc/31/55/14/1000315514.db2.gz UEWVQDZGZFHQHG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401258178 1000315520 /nfs/dbraw/zinc/31/55/20/1000315520.db2.gz UEWVQDZGZFHQHG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418635568 1000412128 /nfs/dbraw/zinc/41/21/28/1000412128.db2.gz SGOJOYKOYLUBQX-RWMBFGLXSA-N 1 3 310.442 0.090 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001418672224 1000439318 /nfs/dbraw/zinc/43/93/18/1000439318.db2.gz OEUGRLMSQFESBY-AJNGGQMLSA-N 1 3 324.469 0.478 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001418685944 1000449384 /nfs/dbraw/zinc/44/93/84/1000449384.db2.gz TWGPVUPXDCNWSA-HDJSIYSDSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001418829280 1000555407 /nfs/dbraw/zinc/55/54/07/1000555407.db2.gz MGLYCXKFWRXMCA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001418829280 1000555408 /nfs/dbraw/zinc/55/54/08/1000555408.db2.gz MGLYCXKFWRXMCA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401625440 1000564695 /nfs/dbraw/zinc/56/46/95/1000564695.db2.gz LEPPMVWUIPZBND-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001418891089 1000595474 /nfs/dbraw/zinc/59/54/74/1000595474.db2.gz NGKZMMQVUGAOTH-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001418891089 1000595480 /nfs/dbraw/zinc/59/54/80/1000595480.db2.gz NGKZMMQVUGAOTH-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001401679610 1000618174 /nfs/dbraw/zinc/61/81/74/1000618174.db2.gz IQRMWYNNWIUOIX-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001401699301 1000638449 /nfs/dbraw/zinc/63/84/49/1000638449.db2.gz IOZCQOBALIBMLT-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)CC ZINC001419201706 1000876906 /nfs/dbraw/zinc/87/69/06/1000876906.db2.gz SZLNNYWXAZAMFU-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(N[C@@H]2CCCN(C)C2=O)CC1 ZINC001401975804 1000919554 /nfs/dbraw/zinc/91/95/54/1000919554.db2.gz JCUIVGOYUXDTKE-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@@H]2CCCN(C)C2=O)CC1 ZINC001401975804 1000919561 /nfs/dbraw/zinc/91/95/61/1000919561.db2.gz JCUIVGOYUXDTKE-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1nccc1CNCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001419316744 1000970837 /nfs/dbraw/zinc/97/08/37/1000970837.db2.gz FJTNRRMZYPDPGM-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1nccc1CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419316744 1000970840 /nfs/dbraw/zinc/97/08/40/1000970840.db2.gz FJTNRRMZYPDPGM-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001402054198 1000977048 /nfs/dbraw/zinc/97/70/48/1000977048.db2.gz DUTUUGCNUGMCIE-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnnn3C)C2)CCC1 ZINC001419411078 1001029793 /nfs/dbraw/zinc/02/97/93/1001029793.db2.gz COPWPJKXSWORGE-HAQNSBGRSA-N 1 3 306.414 0.036 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001402197320 1001104002 /nfs/dbraw/zinc/10/40/02/1001104002.db2.gz VLVNQHNKEWEHHR-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001402437904 1001307093 /nfs/dbraw/zinc/30/70/93/1001307093.db2.gz YPGKGUOXYWIAOI-IHRRRGAJSA-N 1 3 312.458 0.240 20 0 DCADHO CC[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C)C(N)=O ZINC001419880370 1001380654 /nfs/dbraw/zinc/38/06/54/1001380654.db2.gz SDWQWKZFSDAEHU-CHWSQXEVSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419897587 1001393747 /nfs/dbraw/zinc/39/37/47/1001393747.db2.gz LYOBHRJNWWQDEH-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419897587 1001393754 /nfs/dbraw/zinc/39/37/54/1001393754.db2.gz LYOBHRJNWWQDEH-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001419902926 1001396083 /nfs/dbraw/zinc/39/60/83/1001396083.db2.gz PMENDAHBIXRIEM-WDEREUQCSA-N 1 3 306.414 0.364 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419913971 1001403807 /nfs/dbraw/zinc/40/38/07/1001403807.db2.gz ZEFJXHGBGYFBRE-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001402607589 1001439335 /nfs/dbraw/zinc/43/93/35/1001439335.db2.gz KDFFYMKMSIYFCP-TXEJJXNPSA-N 1 3 306.414 0.371 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cnnn1C)N(C)C ZINC001402825113 1001518661 /nfs/dbraw/zinc/51/86/61/1001518661.db2.gz YSLJIEXRCDOLNG-JSGCOSHPSA-N 1 3 310.446 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402884770 1001555379 /nfs/dbraw/zinc/55/53/79/1001555379.db2.gz AXTVYRHBOUALJR-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402884770 1001555380 /nfs/dbraw/zinc/55/53/80/1001555380.db2.gz AXTVYRHBOUALJR-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001402991155 1001620845 /nfs/dbraw/zinc/62/08/45/1001620845.db2.gz FQSOMZBHDOPXQU-CHWSQXEVSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001403022217 1001637150 /nfs/dbraw/zinc/63/71/50/1001637150.db2.gz QVSIJHJTMZUAHR-QWHCGFSZSA-N 1 3 308.430 0.245 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCC(=O)N(C)C1CC1 ZINC001403051181 1001650258 /nfs/dbraw/zinc/65/02/58/1001650258.db2.gz PQRRCWCMVPVPPX-QWHCGFSZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCCNC1=O ZINC001403173161 1001707225 /nfs/dbraw/zinc/70/72/25/1001707225.db2.gz YKZYXKYKVXBWDL-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@H](C)CC)C1 ZINC001419974096 1001737574 /nfs/dbraw/zinc/73/75/74/1001737574.db2.gz ANZASSFMBDKWSD-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001505755750 1016524350 /nfs/dbraw/zinc/52/43/50/1016524350.db2.gz PGJMJESIUNWOHN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001403256561 1001765378 /nfs/dbraw/zinc/76/53/78/1001765378.db2.gz JAUMVEVPFDWBGG-AWEZNQCLSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2cccnc2)CC[N@@H+]1C ZINC001420133185 1001922101 /nfs/dbraw/zinc/92/21/01/1001922101.db2.gz ZAZVKHCTWRGXGE-OWCLPIDISA-N 1 3 320.437 0.379 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2cccnc2)CC[N@H+]1C ZINC001420133185 1001922109 /nfs/dbraw/zinc/92/21/09/1001922109.db2.gz ZAZVKHCTWRGXGE-OWCLPIDISA-N 1 3 320.437 0.379 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001420143921 1001934977 /nfs/dbraw/zinc/93/49/77/1001934977.db2.gz RIEHWPVJXAEYIR-HNNXBMFYSA-N 1 3 323.412 0.877 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H](O)C[NH2+]CC2CC2)c1 ZINC001420209197 1002045579 /nfs/dbraw/zinc/04/55/79/1002045579.db2.gz HOPZEZBXNKNCOT-MRXNPFEDSA-N 1 3 305.422 0.839 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CCC([NH2+]CC(N)=O)CC2)CCC1 ZINC001424858661 1002102306 /nfs/dbraw/zinc/10/23/06/1002102306.db2.gz MTIOQZFUFAYSOW-UHFFFAOYSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403561602 1002141854 /nfs/dbraw/zinc/14/18/54/1002141854.db2.gz PCOOUPNFDGZDGL-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCN(C)C1=O ZINC001403581602 1002169630 /nfs/dbraw/zinc/16/96/30/1002169630.db2.gz YEIGVVLTQYFALF-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001420305946 1002196116 /nfs/dbraw/zinc/19/61/16/1002196116.db2.gz FUKPPJFYXBNRPL-VHDGCEQUSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001403632243 1002239175 /nfs/dbraw/zinc/23/91/75/1002239175.db2.gz YQDMEUKUUKTVJP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCCC1 ZINC001425178365 1002420975 /nfs/dbraw/zinc/42/09/75/1002420975.db2.gz FOUSBPKTJTWWKG-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(CCO)C1 ZINC001425247815 1002477077 /nfs/dbraw/zinc/47/70/77/1002477077.db2.gz PESMUPJHQPTNRO-MLGOLLRUSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CN(CCO)C1 ZINC001425247815 1002477083 /nfs/dbraw/zinc/47/70/83/1002477083.db2.gz PESMUPJHQPTNRO-MLGOLLRUSA-N 1 3 315.433 0.628 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+]([C@@H]1CCNC1=O)CC2 ZINC001403770574 1002495749 /nfs/dbraw/zinc/49/57/49/1002495749.db2.gz NTUQSAINYSZDPY-KEYYUXOJSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC001403770574 1002495758 /nfs/dbraw/zinc/49/57/58/1002495758.db2.gz NTUQSAINYSZDPY-KEYYUXOJSA-N 1 3 322.453 0.328 20 0 DCADHO CN1CC[C@H](N[C@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)C1=O ZINC001403803704 1002547233 /nfs/dbraw/zinc/54/72/33/1002547233.db2.gz JOVZUJYYOLYCNA-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001420560037 1002617246 /nfs/dbraw/zinc/61/72/46/1002617246.db2.gz YYBNXDUWXGZILO-TZMCWYRMSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC001420560037 1002617250 /nfs/dbraw/zinc/61/72/50/1002617250.db2.gz YYBNXDUWXGZILO-TZMCWYRMSA-N 1 3 308.426 0.860 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001425557370 1002810046 /nfs/dbraw/zinc/81/00/46/1002810046.db2.gz OHEYPHKUKVKGKU-OLZOCXBDSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001425571944 1002834455 /nfs/dbraw/zinc/83/44/55/1002834455.db2.gz KVRXNEONMGTSTQ-GZBFAFLISA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001425571944 1002834468 /nfs/dbraw/zinc/83/44/68/1002834468.db2.gz KVRXNEONMGTSTQ-GZBFAFLISA-N 1 3 324.469 0.384 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC001404062948 1002962130 /nfs/dbraw/zinc/96/21/30/1002962130.db2.gz GBPLVADPHNFWSL-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001420862128 1003049683 /nfs/dbraw/zinc/04/96/83/1003049683.db2.gz QKFIDZUQHIGKJZ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001420862128 1003049695 /nfs/dbraw/zinc/04/96/95/1003049695.db2.gz QKFIDZUQHIGKJZ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001425879594 1003212848 /nfs/dbraw/zinc/21/28/48/1003212848.db2.gz ACFGVKSGEHHZBJ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NCC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001425887059 1003225185 /nfs/dbraw/zinc/22/51/85/1003225185.db2.gz CXTROOOOHUFPES-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CN(C)C1CCC1 ZINC001425902412 1003240355 /nfs/dbraw/zinc/24/03/55/1003240355.db2.gz UMERQCWMYLYPPR-TZMCWYRMSA-N 1 3 322.453 0.328 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H](N)C(C)(C)C)CC1 ZINC001573863684 1163571312 /nfs/dbraw/zinc/57/13/12/1163571312.db2.gz JCBRPZDNIRLFKH-ZDUSSCGKSA-N 1 3 312.458 0.276 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C[C@@H]1C ZINC001425914325 1003252515 /nfs/dbraw/zinc/25/25/15/1003252515.db2.gz MCWVUOWEUKAENC-KBPBESRZSA-N 1 3 308.430 0.199 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001406324925 1003607127 /nfs/dbraw/zinc/60/71/27/1003607127.db2.gz IFSOAMPWULZJKI-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001406493505 1003761672 /nfs/dbraw/zinc/76/16/72/1003761672.db2.gz JLAGKPIDJNNHSP-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001406797167 1004105046 /nfs/dbraw/zinc/10/50/46/1004105046.db2.gz QBPJTLDMOADCJP-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001406918510 1004220295 /nfs/dbraw/zinc/22/02/95/1004220295.db2.gz LPRUMYZLXUHVFT-AWEZNQCLSA-N 1 3 320.441 0.389 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001427324645 1004324483 /nfs/dbraw/zinc/32/44/83/1004324483.db2.gz HHDBKRBXQOSGHP-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001407123028 1004403426 /nfs/dbraw/zinc/40/34/26/1004403426.db2.gz RXNBTUMIWRKRSG-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001407122980 1004403653 /nfs/dbraw/zinc/40/36/53/1004403653.db2.gz RXNBTUMIWRKRSG-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)C(=O)CN1CCCC1 ZINC001429260501 1004488784 /nfs/dbraw/zinc/48/87/84/1004488784.db2.gz HXJDQVDWEUKVJN-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001429287626 1004507035 /nfs/dbraw/zinc/50/70/35/1004507035.db2.gz INUVFQDBPMQZBF-UONOGXRCSA-N 1 3 321.425 0.257 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001429287626 1004507042 /nfs/dbraw/zinc/50/70/42/1004507042.db2.gz INUVFQDBPMQZBF-UONOGXRCSA-N 1 3 321.425 0.257 20 0 DCADHO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001407353013 1004576818 /nfs/dbraw/zinc/57/68/18/1004576818.db2.gz PUUSXVPGTIIYMR-ZBFHGGJFSA-N 1 3 313.442 0.059 20 0 DCADHO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001407353013 1004576825 /nfs/dbraw/zinc/57/68/25/1004576825.db2.gz PUUSXVPGTIIYMR-ZBFHGGJFSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001427788007 1004608751 /nfs/dbraw/zinc/60/87/51/1004608751.db2.gz GDSNJNGLLZJWSD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(CN1CCCC1)NCC1(O)C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001407463971 1004666484 /nfs/dbraw/zinc/66/64/84/1004666484.db2.gz AALKXDFLYYTVIS-OAGGEKHMSA-N 1 3 321.465 0.681 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001407533675 1004715486 /nfs/dbraw/zinc/71/54/86/1004715486.db2.gz OLKUYYXIXXYRBO-ZFWWWQNUSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CCC1 ZINC001407803065 1004871778 /nfs/dbraw/zinc/87/17/78/1004871778.db2.gz OANUVAVFTJAHRC-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001407934235 1004950671 /nfs/dbraw/zinc/95/06/71/1004950671.db2.gz WOGOOPYLHYTBRS-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CO[C@H](C)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001408041714 1005000106 /nfs/dbraw/zinc/00/01/06/1005000106.db2.gz VQERHYOYTWPTFU-CQSZACIVSA-N 1 3 315.458 0.617 20 0 DCADHO COc1cccc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)n1 ZINC001408106736 1005045052 /nfs/dbraw/zinc/04/50/52/1005045052.db2.gz ZZBLNSOYOWFNQJ-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)CC[NH+](C)C ZINC001415950074 1005635125 /nfs/dbraw/zinc/63/51/25/1005635125.db2.gz PKAIPYLZOICCQQ-ZDUSSCGKSA-N 1 3 321.425 0.211 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001416029917 1005652426 /nfs/dbraw/zinc/65/24/26/1005652426.db2.gz CDWXRTRUHOVCSP-UHFFFAOYSA-N 1 3 307.398 0.011 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001416029917 1005652427 /nfs/dbraw/zinc/65/24/27/1005652427.db2.gz CDWXRTRUHOVCSP-UHFFFAOYSA-N 1 3 307.398 0.011 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001417190139 1005800519 /nfs/dbraw/zinc/80/05/19/1005800519.db2.gz FNILGCZXEZFEPT-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001417775421 1005888396 /nfs/dbraw/zinc/88/83/96/1005888396.db2.gz RYXCBADPSPPMIL-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001417791085 1005891944 /nfs/dbraw/zinc/89/19/44/1005891944.db2.gz HEISHHDDFXEMRF-JHJVBQTASA-N 1 3 312.458 0.323 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001417991932 1005949461 /nfs/dbraw/zinc/94/94/61/1005949461.db2.gz XSJPPSAXZBHJLR-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001417991932 1005949465 /nfs/dbraw/zinc/94/94/65/1005949465.db2.gz XSJPPSAXZBHJLR-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)CC[N@@H+]1C ZINC001434780925 1005971548 /nfs/dbraw/zinc/97/15/48/1005971548.db2.gz FNYUERZOOJICEW-RBSFLKMASA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)CC[N@H+]1C ZINC001434780925 1005971550 /nfs/dbraw/zinc/97/15/50/1005971550.db2.gz FNYUERZOOJICEW-RBSFLKMASA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001418050830 1005980978 /nfs/dbraw/zinc/98/09/78/1005980978.db2.gz KUCBLUKZWLYWOB-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001438655704 1005997462 /nfs/dbraw/zinc/99/74/62/1005997462.db2.gz VUXVETFEEDUTAP-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001438664670 1006002953 /nfs/dbraw/zinc/00/29/53/1006002953.db2.gz PDMDRFCEEFNBQB-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438673024 1006013081 /nfs/dbraw/zinc/01/30/81/1006013081.db2.gz GEMXRPDQBLXPDW-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001418147946 1006104024 /nfs/dbraw/zinc/10/40/24/1006104024.db2.gz WFPFUYCBQXWXAM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001438774163 1006108531 /nfs/dbraw/zinc/10/85/31/1006108531.db2.gz QAYQTRSTKSITSP-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001436417537 1006170204 /nfs/dbraw/zinc/17/02/04/1006170204.db2.gz QRWYHCABJNHKLG-GUTXKFCHSA-N 1 3 322.453 0.234 20 0 DCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H](C)OC ZINC001436421019 1006173348 /nfs/dbraw/zinc/17/33/48/1006173348.db2.gz ACRPLIFCJPNELF-UMVBOHGHSA-N 1 3 324.425 0.440 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436474447 1006205013 /nfs/dbraw/zinc/20/50/13/1006205013.db2.gz YBQPTZHFZXKYME-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=O)NC ZINC001436669665 1006249333 /nfs/dbraw/zinc/24/93/33/1006249333.db2.gz OTMBXYFVLWBJOR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(=O)NC ZINC001436669665 1006249342 /nfs/dbraw/zinc/24/93/42/1006249342.db2.gz OTMBXYFVLWBJOR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001438999964 1006341098 /nfs/dbraw/zinc/34/10/98/1006341098.db2.gz LMJMVAVBKNWPMF-HZPDHXFCSA-N 1 3 322.453 0.605 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2ccccc2F)C1 ZINC001439045898 1006404164 /nfs/dbraw/zinc/40/41/64/1006404164.db2.gz IIBJZPCEZTUXQD-ZFWWWQNUSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2ccccc2F)C1 ZINC001439045898 1006404174 /nfs/dbraw/zinc/40/41/74/1006404174.db2.gz IIBJZPCEZTUXQD-ZFWWWQNUSA-N 1 3 323.412 0.734 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001439130377 1006497126 /nfs/dbraw/zinc/49/71/26/1006497126.db2.gz KJHZJQFEZMLSAT-JHJVBQTASA-N 1 3 314.474 0.724 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)C(=O)NC ZINC001437050561 1006552197 /nfs/dbraw/zinc/55/21/97/1006552197.db2.gz BETHMKNVEKQXSY-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)C(=O)NC ZINC001437050557 1006554410 /nfs/dbraw/zinc/55/44/10/1006554410.db2.gz BETHMKNVEKQXSY-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1)C(=O)N(C)C ZINC001437058117 1006555435 /nfs/dbraw/zinc/55/54/35/1006555435.db2.gz PALLDBSRRHJING-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001439250869 1006626743 /nfs/dbraw/zinc/62/67/43/1006626743.db2.gz DRZCQLCUPPJLEV-KGLIPLIRSA-N 1 3 320.437 0.321 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001439255297 1006627258 /nfs/dbraw/zinc/62/72/58/1006627258.db2.gz QLWOWPOXUYWBLE-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001437206860 1006705707 /nfs/dbraw/zinc/70/57/07/1006705707.db2.gz NIVLWHSOHDVILS-STQMWFEESA-N 1 3 307.442 0.665 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437289492 1006802881 /nfs/dbraw/zinc/80/28/81/1006802881.db2.gz OAJXBELSEZENAS-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001437302613 1006818822 /nfs/dbraw/zinc/81/88/22/1006818822.db2.gz WKBLCLOFPYZPTQ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001439451509 1006871743 /nfs/dbraw/zinc/87/17/43/1006871743.db2.gz BHRZQEWKJPTOPM-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439485562 1006914393 /nfs/dbraw/zinc/91/43/93/1006914393.db2.gz SHZLXTNDWJYBKG-ZIAGYGMSSA-N 1 3 310.442 0.219 20 0 DCADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCc1cnn(C)c1 ZINC001437458547 1006985408 /nfs/dbraw/zinc/98/54/08/1006985408.db2.gz QIJDQSXSEYUVAX-INIZCTEOSA-N 1 3 319.453 0.352 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437718919 1007303416 /nfs/dbraw/zinc/30/34/16/1007303416.db2.gz FVSJKYXRTMWMOW-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)N1CCCCC1 ZINC001437830189 1007440044 /nfs/dbraw/zinc/44/00/44/1007440044.db2.gz RNLKJXNUSFLCLQ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NC2CC2)C1 ZINC001440125882 1007503248 /nfs/dbraw/zinc/50/32/48/1007503248.db2.gz RPWKZCXTZFPKNU-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001437944823 1007522230 /nfs/dbraw/zinc/52/22/30/1007522230.db2.gz OBSGKDCFRUEBSB-ZNMIVQPWSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001437944823 1007522237 /nfs/dbraw/zinc/52/22/37/1007522237.db2.gz OBSGKDCFRUEBSB-ZNMIVQPWSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)CCC1 ZINC001438130727 1007657137 /nfs/dbraw/zinc/65/71/37/1007657137.db2.gz UAGIOYPAVVZWNF-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001440315869 1007664444 /nfs/dbraw/zinc/66/44/44/1007664444.db2.gz ZTBNYMOYRYAVBS-ZQDZILKHSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001440330527 1007677736 /nfs/dbraw/zinc/67/77/36/1007677736.db2.gz DWIIBJBCIKFDQE-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCn2cncn2)CCC1)N(C)C ZINC001440341047 1007681723 /nfs/dbraw/zinc/68/17/23/1007681723.db2.gz QRNMZWPKPUYJCI-ZDUSSCGKSA-N 1 3 308.430 0.247 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001440353213 1007688135 /nfs/dbraw/zinc/68/81/35/1007688135.db2.gz FOAMQIHOXRLSQI-FZKCQIBNSA-N 1 3 309.454 0.849 20 0 DCADHO CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001440419446 1007745187 /nfs/dbraw/zinc/74/51/87/1007745187.db2.gz IIUKYXSQHMOSCU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cncn1C ZINC001438369149 1007863644 /nfs/dbraw/zinc/86/36/44/1007863644.db2.gz BYMXJZIKLDEJKT-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001438464020 1007923182 /nfs/dbraw/zinc/92/31/82/1007923182.db2.gz PYDKAXLJUCDUPX-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCCN(C)C1=O ZINC001438498190 1007953102 /nfs/dbraw/zinc/95/31/02/1007953102.db2.gz MDAXIAGUUNDYQM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H](C)C(N)=O)CCCCC1)N(C)C ZINC001441110665 1008223252 /nfs/dbraw/zinc/22/32/52/1008223252.db2.gz WXQWHIATRCJHTI-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1CN(CCCO)C1)[NH+]1CCCC1 ZINC001441209197 1008271838 /nfs/dbraw/zinc/27/18/38/1008271838.db2.gz NSOUMZQPVQURBH-HOCLYGCPSA-N 1 3 311.470 0.926 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001441271489 1008299403 /nfs/dbraw/zinc/29/94/03/1008299403.db2.gz MTANNEXEGKNDJO-CABCVRRESA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001441271489 1008299405 /nfs/dbraw/zinc/29/94/05/1008299405.db2.gz MTANNEXEGKNDJO-CABCVRRESA-N 1 3 305.426 0.356 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001441365403 1008333974 /nfs/dbraw/zinc/33/39/74/1008333974.db2.gz NAUYROYGKBQOCE-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001441382684 1008340896 /nfs/dbraw/zinc/34/08/96/1008340896.db2.gz IUHYUYVNMVEVHC-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001441401289 1008346128 /nfs/dbraw/zinc/34/61/28/1008346128.db2.gz GBWUEEXWPNWEJI-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO CN(CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001441452039 1008360453 /nfs/dbraw/zinc/36/04/53/1008360453.db2.gz WUYJXZNUFPYTJM-ZDUSSCGKSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001441651570 1008441494 /nfs/dbraw/zinc/44/14/94/1008441494.db2.gz MKBNFCKCEJWUIG-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001453486962 1008525388 /nfs/dbraw/zinc/52/53/88/1008525388.db2.gz OLANQEYOGRIDLL-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NC2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001441832532 1008537242 /nfs/dbraw/zinc/53/72/42/1008537242.db2.gz GQKNKKMZLZCSBN-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+][C@@H]3CCNC3=O)CCCC2)C1 ZINC001421511881 1008675964 /nfs/dbraw/zinc/67/59/64/1008675964.db2.gz LJZCAISDTYAQFD-ZIAGYGMSSA-N 1 3 322.453 0.235 20 0 DCADHO CCCC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001421569235 1008742862 /nfs/dbraw/zinc/74/28/62/1008742862.db2.gz AVMIEATUYVOACU-ZNMIVQPWSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H]([NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001421598876 1008772355 /nfs/dbraw/zinc/77/23/55/1008772355.db2.gz XLOURUMANJJKCB-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(=O)[C@](C)(O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC001421693660 1008945400 /nfs/dbraw/zinc/94/54/00/1008945400.db2.gz SNMDVYQWLFEXHQ-QGZVFWFLSA-N 1 3 311.470 0.676 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001421749404 1009029986 /nfs/dbraw/zinc/02/99/86/1009029986.db2.gz PLACHAWKZUBWJK-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]CC(=O)NC3CC3)CCC2)C1 ZINC001421765871 1009054034 /nfs/dbraw/zinc/05/40/34/1009054034.db2.gz KUZVZXCFYAQWJU-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001442195161 1009079315 /nfs/dbraw/zinc/07/93/15/1009079315.db2.gz DXJMHJXCUPDYEL-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2cnn(C)c2)CCC1 ZINC001421800230 1009110311 /nfs/dbraw/zinc/11/03/11/1009110311.db2.gz DDQOTDUCULDRNE-UHFFFAOYSA-N 1 3 307.442 0.889 20 0 DCADHO CCn1nncc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001442295614 1009164258 /nfs/dbraw/zinc/16/42/58/1009164258.db2.gz OIRMKRQVXVTFDE-UONOGXRCSA-N 1 3 322.457 0.624 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001421896967 1009228519 /nfs/dbraw/zinc/22/85/19/1009228519.db2.gz AUMCPWAFAJAPCN-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001421896967 1009228529 /nfs/dbraw/zinc/22/85/29/1009228529.db2.gz AUMCPWAFAJAPCN-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001421949383 1009301172 /nfs/dbraw/zinc/30/11/72/1009301172.db2.gz ZJKMOJZUWVNFHQ-QWHCGFSZSA-N 1 3 314.474 0.535 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001433955109 1009395951 /nfs/dbraw/zinc/39/59/51/1009395951.db2.gz VYXZYWZDITVRBG-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001433955109 1009395963 /nfs/dbraw/zinc/39/59/63/1009395963.db2.gz VYXZYWZDITVRBG-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001422042370 1009428310 /nfs/dbraw/zinc/42/83/10/1009428310.db2.gz DLWBBRQDSBKSKU-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cncn1C)C(C)C)N(C)C ZINC001422134807 1009530959 /nfs/dbraw/zinc/53/09/59/1009530959.db2.gz PMELMWRNFBONNG-HUUCEWRRSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001434088035 1009542157 /nfs/dbraw/zinc/54/21/57/1009542157.db2.gz KVCBMKGERBCTEK-GJZGRUSLSA-N 1 3 324.469 0.336 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001434171383 1009633625 /nfs/dbraw/zinc/63/36/25/1009633625.db2.gz HALPWTPAWVLKDL-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001434171383 1009633632 /nfs/dbraw/zinc/63/36/32/1009633632.db2.gz HALPWTPAWVLKDL-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO COCCN(C)CCNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001434428460 1009941902 /nfs/dbraw/zinc/94/19/02/1009941902.db2.gz OOYAZAFMXURDFH-AWEZNQCLSA-N 1 3 306.410 0.602 20 0 DCADHO C[NH+](C)CCC(=O)NCCN(C[C@@H]1CCc2ncnn21)C1CC1 ZINC001443026952 1010061094 /nfs/dbraw/zinc/06/10/94/1010061094.db2.gz DLZIFHCKWHESMF-AWEZNQCLSA-N 1 3 320.441 0.298 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001443073514 1010114033 /nfs/dbraw/zinc/11/40/33/1010114033.db2.gz FGTCNPHKGMTGLD-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001443073514 1010114043 /nfs/dbraw/zinc/11/40/43/1010114043.db2.gz FGTCNPHKGMTGLD-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NCC1CC1 ZINC001422496034 1010183206 /nfs/dbraw/zinc/18/32/06/1010183206.db2.gz MTXXWAPBJUCBLJ-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NCC1CC1 ZINC001422496034 1010183208 /nfs/dbraw/zinc/18/32/08/1010183208.db2.gz MTXXWAPBJUCBLJ-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CCCC1)NC(=O)CC[NH+](C)C ZINC001422551081 1010285544 /nfs/dbraw/zinc/28/55/44/1010285544.db2.gz JYHXYUWTNMILPE-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001422650541 1010456504 /nfs/dbraw/zinc/45/65/04/1010456504.db2.gz OMHVQIHIXSXMFF-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001422650541 1010456515 /nfs/dbraw/zinc/45/65/15/1010456515.db2.gz OMHVQIHIXSXMFF-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422729424 1010536713 /nfs/dbraw/zinc/53/67/13/1010536713.db2.gz CFJMBAFGSSPRTP-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422729424 1010536724 /nfs/dbraw/zinc/53/67/24/1010536724.db2.gz CFJMBAFGSSPRTP-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)C[C@@H]1CCc2ncnn21 ZINC001422904571 1010723334 /nfs/dbraw/zinc/72/33/34/1010723334.db2.gz YQULQKNJOKHHGH-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)C[C@@H]1CCc2ncnn21 ZINC001422904571 1010723339 /nfs/dbraw/zinc/72/33/39/1010723339.db2.gz YQULQKNJOKHHGH-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001443988270 1010791436 /nfs/dbraw/zinc/79/14/36/1010791436.db2.gz SNFZKZHSWIXFSL-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444091576 1010848326 /nfs/dbraw/zinc/84/83/26/1010848326.db2.gz VDHGBMCTVDIMLC-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CCNC(=O)CNC[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001444126227 1010869992 /nfs/dbraw/zinc/86/99/92/1010869992.db2.gz DRHBLQMQYHMESL-CXAGYDPISA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001444126227 1010869997 /nfs/dbraw/zinc/86/99/97/1010869997.db2.gz DRHBLQMQYHMESL-CXAGYDPISA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001423110174 1010896633 /nfs/dbraw/zinc/89/66/33/1010896633.db2.gz QTSFPYKZQIPVMQ-QWHCGFSZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444312356 1010957975 /nfs/dbraw/zinc/95/79/75/1010957975.db2.gz VXYXTHCUXNMFFS-UKRRQHHQSA-N 1 3 319.453 0.604 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001444395739 1010997810 /nfs/dbraw/zinc/99/78/10/1010997810.db2.gz UTRPJGDOAJQPRO-ZDUSSCGKSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCc1cnn(C)c1 ZINC001423373623 1011109206 /nfs/dbraw/zinc/10/92/06/1011109206.db2.gz PEGKESHDGTZRPV-GDBMZVCRSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C[C@H]1C ZINC001423446380 1011155345 /nfs/dbraw/zinc/15/53/45/1011155345.db2.gz AVYBVQSNMUNJSV-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001444783891 1011171642 /nfs/dbraw/zinc/17/16/42/1011171642.db2.gz JBPRRMYGMWKFTP-AWEZNQCLSA-N 1 3 322.453 0.222 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423485976 1011180688 /nfs/dbraw/zinc/18/06/88/1011180688.db2.gz PEFUOZVMBPTZOC-ZBFHGGJFSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423485976 1011180694 /nfs/dbraw/zinc/18/06/94/1011180694.db2.gz PEFUOZVMBPTZOC-ZBFHGGJFSA-N 1 3 320.437 0.251 20 0 DCADHO CNC(=O)CN(C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001444842734 1011185131 /nfs/dbraw/zinc/18/51/31/1011185131.db2.gz UPXGEMUHDHKWAU-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)CN(C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001444842734 1011185137 /nfs/dbraw/zinc/18/51/37/1011185137.db2.gz UPXGEMUHDHKWAU-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001431536192 1011375349 /nfs/dbraw/zinc/37/53/49/1011375349.db2.gz HFMHAQXQXSBVRK-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001431536192 1011375365 /nfs/dbraw/zinc/37/53/65/1011375365.db2.gz HFMHAQXQXSBVRK-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001445213322 1011531278 /nfs/dbraw/zinc/53/12/78/1011531278.db2.gz RGHIRSYDJJERBF-JKSUJKDBSA-N 1 3 307.438 0.902 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2cncs2)C1 ZINC001445280612 1011609132 /nfs/dbraw/zinc/60/91/32/1011609132.db2.gz VAAICPAUGWDDDE-RYUDHWBXSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2cncs2)C1 ZINC001445280612 1011609137 /nfs/dbraw/zinc/60/91/37/1011609137.db2.gz VAAICPAUGWDDDE-RYUDHWBXSA-N 1 3 312.439 0.052 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001445393495 1011723137 /nfs/dbraw/zinc/72/31/37/1011723137.db2.gz HUWIAMONVXCKCQ-TZMCWYRMSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423930676 1011747775 /nfs/dbraw/zinc/74/77/75/1011747775.db2.gz UTJKWABHGZZTLT-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001553413174 1011954260 /nfs/dbraw/zinc/95/42/60/1011954260.db2.gz QUGKJZPTLFEZEU-CQSZACIVSA-N 1 3 310.442 0.635 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)s1 ZINC001553428164 1011969753 /nfs/dbraw/zinc/96/97/53/1011969753.db2.gz LSZLGJJZRZGCGT-MELADBBJSA-N 1 3 309.435 0.945 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553467442 1012005903 /nfs/dbraw/zinc/00/59/03/1012005903.db2.gz XCQUEHHOKGPLNG-SNPRPXQTSA-N 1 3 322.453 0.618 20 0 DCADHO C[C@]1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCC[NH2+]C1 ZINC001553498198 1012034882 /nfs/dbraw/zinc/03/48/82/1012034882.db2.gz RUQTWMMWCWQSEY-VYDXJSESSA-N 1 3 324.469 0.617 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553527403 1012077355 /nfs/dbraw/zinc/07/73/55/1012077355.db2.gz OKMKXWPZQSTQKB-UGUYLWEFSA-N 1 3 324.469 0.473 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553527400 1012078066 /nfs/dbraw/zinc/07/80/66/1012078066.db2.gz OKMKXWPZQSTQKB-QKPAOTATSA-N 1 3 324.469 0.473 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C)C(N)=O ZINC001424151987 1012092154 /nfs/dbraw/zinc/09/21/54/1012092154.db2.gz CDKNPORTCFBJAK-RDBSUJKOSA-N 1 3 312.458 0.561 20 0 DCADHO CC1([NH3+])CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001553546371 1012096508 /nfs/dbraw/zinc/09/65/08/1012096508.db2.gz GZLDHINVFCZKEF-KRIMKBQASA-N 1 3 324.469 0.887 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCn2cncn2)CCC1 ZINC001424213660 1012176142 /nfs/dbraw/zinc/17/61/42/1012176142.db2.gz XEEFNNFTPGMURX-UHFFFAOYSA-N 1 3 308.430 0.247 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001458459605 1012182851 /nfs/dbraw/zinc/18/28/51/1012182851.db2.gz BVGTYIRPKXHUKQ-AEGPPILISA-N 1 3 324.469 0.289 20 0 DCADHO Cc1ncc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)cn1 ZINC001424232372 1012205247 /nfs/dbraw/zinc/20/52/47/1012205247.db2.gz VALVOJCSCRBWJW-OAHLLOKOSA-N 1 3 321.425 0.054 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001458768204 1012361156 /nfs/dbraw/zinc/36/11/56/1012361156.db2.gz BXVPGPRKCHOIJU-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001458768204 1012361172 /nfs/dbraw/zinc/36/11/72/1012361172.db2.gz BXVPGPRKCHOIJU-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001559919141 1012434795 /nfs/dbraw/zinc/43/47/95/1012434795.db2.gz AHPWBBVKKLXWAW-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCC([N@H+]2CCCN([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001559919141 1012434803 /nfs/dbraw/zinc/43/48/03/1012434803.db2.gz AHPWBBVKKLXWAW-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC001424501460 1012585570 /nfs/dbraw/zinc/58/55/70/1012585570.db2.gz ZIARHESBJCKYCT-UHFFFAOYSA-N 1 3 322.457 0.626 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548554897 1012705503 /nfs/dbraw/zinc/70/55/03/1012705503.db2.gz FVDHZNJVIVXLKH-INIZCTEOSA-N 1 3 315.377 0.564 20 0 DCADHO CN1CCNC[C@H]1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001548563100 1012720020 /nfs/dbraw/zinc/72/00/20/1012720020.db2.gz WPSNPMJITAIRSW-LBPRGKRZSA-N 1 3 309.439 0.452 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548590146 1012767099 /nfs/dbraw/zinc/76/70/99/1012767099.db2.gz OYTNVDJTNRHKSK-INIZCTEOSA-N 1 3 303.406 0.536 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001479770921 1017727277 /nfs/dbraw/zinc/72/72/77/1017727277.db2.gz ALAILSKMKRXPTO-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001479770921 1017727285 /nfs/dbraw/zinc/72/72/85/1017727285.db2.gz ALAILSKMKRXPTO-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497049186 1017781314 /nfs/dbraw/zinc/78/13/14/1017781314.db2.gz SMWODXIKWRGWRY-OAHLLOKOSA-N 1 3 320.437 0.299 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)C1CC[NH+](CC2CC2)CC1 ZINC001497090412 1017848066 /nfs/dbraw/zinc/84/80/66/1017848066.db2.gz GHFMMRSAIBZBPH-AWEZNQCLSA-N 1 3 301.406 0.145 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H]1CCN(C)C1=O ZINC001479838890 1017857113 /nfs/dbraw/zinc/85/71/13/1017857113.db2.gz IPLDHWVULSAXCC-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H]1CCN(C)C1=O ZINC001479838890 1017857132 /nfs/dbraw/zinc/85/71/32/1017857132.db2.gz IPLDHWVULSAXCC-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO COCCN1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001494854947 1018107024 /nfs/dbraw/zinc/10/70/24/1018107024.db2.gz BXLBCWQCIFVISZ-CQSZACIVSA-N 1 3 313.442 0.276 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCn2cncn2)C2CC2)C1 ZINC001480046044 1018156372 /nfs/dbraw/zinc/15/63/72/1018156372.db2.gz DLDXOMQGLIUNQN-UKRRQHHQSA-N 1 3 320.441 0.104 20 0 DCADHO CCn1nncc1CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061343 1018171003 /nfs/dbraw/zinc/17/10/03/1018171003.db2.gz HZHONESJWAEFEP-HIFRSBDPSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061343 1018171013 /nfs/dbraw/zinc/17/10/13/1018171013.db2.gz HZHONESJWAEFEP-HIFRSBDPSA-N 1 3 320.441 0.234 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001500122441 1018235807 /nfs/dbraw/zinc/23/58/07/1018235807.db2.gz DODCOMQINAUKSG-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001500122441 1018235821 /nfs/dbraw/zinc/23/58/21/1018235821.db2.gz DODCOMQINAUKSG-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cn(C)nc1C ZINC001495106955 1018318803 /nfs/dbraw/zinc/31/88/03/1018318803.db2.gz JDYABNFUDQSJLZ-ZFWWWQNUSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cn(C)nc1C ZINC001495106955 1018318813 /nfs/dbraw/zinc/31/88/13/1018318813.db2.gz JDYABNFUDQSJLZ-ZFWWWQNUSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001495110461 1018320175 /nfs/dbraw/zinc/32/01/75/1018320175.db2.gz XPGVKXVCBYYJBG-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N(C)C ZINC001495137463 1018342086 /nfs/dbraw/zinc/34/20/86/1018342086.db2.gz LAPSENYIQGNXQY-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480307719 1018416995 /nfs/dbraw/zinc/41/69/95/1018416995.db2.gz VNAQIRFEVHBELO-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1CNCC(N)=O)[NH+](CC)CC ZINC001480361051 1018465203 /nfs/dbraw/zinc/46/52/03/1018465203.db2.gz HHCNJVSXITXZMT-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001497909863 1018508101 /nfs/dbraw/zinc/50/81/01/1018508101.db2.gz DRZCQLCUPPJLEV-UONOGXRCSA-N 1 3 320.437 0.321 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001497912471 1018509615 /nfs/dbraw/zinc/50/96/15/1018509615.db2.gz JXYFMLCFFWCXIA-DOMZBBRYSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001500677721 1018569167 /nfs/dbraw/zinc/56/91/67/1018569167.db2.gz PNBVFQQEWAHZIG-RDJZCZTQSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001500677721 1018569172 /nfs/dbraw/zinc/56/91/72/1018569172.db2.gz PNBVFQQEWAHZIG-RDJZCZTQSA-N 1 3 309.454 0.822 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001480472053 1018569833 /nfs/dbraw/zinc/56/98/33/1018569833.db2.gz MQBCXTXJQLJBPP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001480472053 1018569843 /nfs/dbraw/zinc/56/98/43/1018569843.db2.gz MQBCXTXJQLJBPP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(C)(C)C ZINC001480575011 1018673863 /nfs/dbraw/zinc/67/38/63/1018673863.db2.gz PJQXLSYDWRYHEG-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO CCCC[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001480667038 1018758832 /nfs/dbraw/zinc/75/88/32/1018758832.db2.gz ZHWMIQWQIAJMEC-JSGCOSHPSA-N 1 3 321.425 0.434 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001480680443 1018770952 /nfs/dbraw/zinc/77/09/52/1018770952.db2.gz TVXFFRXEWLLJJP-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001496084365 1019054304 /nfs/dbraw/zinc/05/43/04/1019054304.db2.gz ZIJIJRNIJIBCOE-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001496195391 1019153977 /nfs/dbraw/zinc/15/39/77/1019153977.db2.gz MQXLABRCLNBYKE-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001496195391 1019153981 /nfs/dbraw/zinc/15/39/81/1019153981.db2.gz MQXLABRCLNBYKE-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]CC(=O)N1CCCC1 ZINC001498659500 1019308825 /nfs/dbraw/zinc/30/88/25/1019308825.db2.gz YQFPKJHHQQIBQZ-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001496603090 1019444927 /nfs/dbraw/zinc/44/49/27/1019444927.db2.gz NNGUZIWCCJKBIF-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccnn1C ZINC001496602900 1019445022 /nfs/dbraw/zinc/44/50/22/1019445022.db2.gz LDHBJLQBSIBNAD-GOEBONIOSA-N 1 3 321.469 0.992 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001493585242 1019542712 /nfs/dbraw/zinc/54/27/12/1019542712.db2.gz TXDANJNTFPTNLA-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001493585242 1019542722 /nfs/dbraw/zinc/54/27/22/1019542722.db2.gz TXDANJNTFPTNLA-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001493944598 1019838543 /nfs/dbraw/zinc/83/85/43/1019838543.db2.gz YTUBCJXKQHGDKG-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001493944598 1019838557 /nfs/dbraw/zinc/83/85/57/1019838557.db2.gz YTUBCJXKQHGDKG-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001494195321 1020065826 /nfs/dbraw/zinc/06/58/26/1020065826.db2.gz GIXJLUUHJDPBPW-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001494195321 1020065837 /nfs/dbraw/zinc/06/58/37/1020065837.db2.gz GIXJLUUHJDPBPW-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CCOCCO)CC1 ZINC001673406629 1174242195 /nfs/dbraw/zinc/24/21/95/1174242195.db2.gz HHGIOLFYLQAAGW-HNNXBMFYSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CCOCCO)CC1 ZINC001673406629 1174242200 /nfs/dbraw/zinc/24/22/00/1174242200.db2.gz HHGIOLFYLQAAGW-HNNXBMFYSA-N 1 3 315.458 0.306 20 0 DCADHO CN(C)CCN(C)CCC[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC000344076879 282092460 /nfs/dbraw/zinc/09/24/60/282092460.db2.gz WAJXUKMKXQCDDV-UHFFFAOYSA-N 1 3 319.515 0.627 20 0 DCADHO CN(C)CCN(C)CCC[N@@H+](C)CC1CCS(=O)(=O)CC1 ZINC000344076879 282092461 /nfs/dbraw/zinc/09/24/61/282092461.db2.gz WAJXUKMKXQCDDV-UHFFFAOYSA-N 1 3 319.515 0.627 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332137569 290722903 /nfs/dbraw/zinc/72/29/03/290722903.db2.gz DHTXVYQASOUIFX-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)N2CCCNCC2)([NH+](C)C)C1 ZINC000331907630 234263522 /nfs/dbraw/zinc/26/35/22/234263522.db2.gz AIQJRWXXXDAIDW-WMLDXEAASA-N 1 3 324.469 0.435 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC001645846141 1172158228 /nfs/dbraw/zinc/15/82/28/1172158228.db2.gz MIYHSDXITQXDNG-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H](CC(=O)NCCCN1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000165003796 291248341 /nfs/dbraw/zinc/24/83/41/291248341.db2.gz HXXUZBLDPOGDCJ-AWEZNQCLSA-N 1 3 311.470 0.975 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332688076 283655289 /nfs/dbraw/zinc/65/52/89/283655289.db2.gz SUONQSODARHVLL-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)O1 ZINC000566055784 291265452 /nfs/dbraw/zinc/26/54/52/291265452.db2.gz QXHMFKNSKGGYSI-ILXRZTDVSA-N 1 3 314.474 0.935 20 0 DCADHO c1cc(N2CC[NH2+]CC2)cnc1N[C@H](C1CC1)[C@H]1CNCCO1 ZINC000566087881 291268165 /nfs/dbraw/zinc/26/81/65/291268165.db2.gz AIAHJCDQLDNDFA-NVXWUHKLSA-N 1 3 317.437 0.670 20 0 DCADHO C[NH+](C)CCOc1cccc(CNCCC(=O)NC(N)=O)c1 ZINC000566108286 291270828 /nfs/dbraw/zinc/27/08/28/291270828.db2.gz XYZHVSWEWWFYMZ-UHFFFAOYSA-N 1 3 308.382 0.302 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000566853151 291326197 /nfs/dbraw/zinc/32/61/97/291326197.db2.gz YTYVAQISOCHTCF-AWEZNQCLSA-N 1 3 310.442 0.237 20 0 DCADHO CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)CN)[NH+]1CCCC1 ZINC000420019108 240004691 /nfs/dbraw/zinc/00/46/91/240004691.db2.gz QTDRAOGZQIYQBW-JSGCOSHPSA-N 1 3 312.458 0.467 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420064454 240013171 /nfs/dbraw/zinc/01/31/71/240013171.db2.gz OUGNKNKZXAPCPF-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)C(=O)N(C)CC)CC[NH2+]CC1 ZINC000423070743 240192115 /nfs/dbraw/zinc/19/21/15/240192115.db2.gz NOHXTEQRIGXHKY-QWHCGFSZSA-N 1 3 313.442 0.764 20 0 DCADHO CCOCC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000567262271 291345910 /nfs/dbraw/zinc/34/59/10/291345910.db2.gz ITSLWMSJSFYMOZ-XHSDSOJGSA-N 1 3 300.443 0.741 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000478967203 241073353 /nfs/dbraw/zinc/07/33/53/241073353.db2.gz URHRUZWHJZFZRG-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000457835418 241040464 /nfs/dbraw/zinc/04/04/64/241040464.db2.gz KYUJVEQWGVYRPD-JYJNAYRXSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000457835418 241040470 /nfs/dbraw/zinc/04/04/70/241040470.db2.gz KYUJVEQWGVYRPD-JYJNAYRXSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000457835419 241041294 /nfs/dbraw/zinc/04/12/94/241041294.db2.gz KYUJVEQWGVYRPD-XHSDSOJGSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000457835419 241041297 /nfs/dbraw/zinc/04/12/97/241041297.db2.gz KYUJVEQWGVYRPD-XHSDSOJGSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567897275 291388853 /nfs/dbraw/zinc/38/88/53/291388853.db2.gz SLVJRFSHQSQDLV-HZMBPMFUSA-N 1 3 307.402 0.060 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000568292194 291421827 /nfs/dbraw/zinc/42/18/27/291421827.db2.gz HAKXHKZTOHFZQO-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)[C@H](N)C3CCC3)CC2)CC1 ZINC000568980447 291455910 /nfs/dbraw/zinc/45/59/10/291455910.db2.gz XRWXQLHLBQTWFD-MRXNPFEDSA-N 1 3 308.470 0.789 20 0 DCADHO CN(C)C(=O)CN(C)CCCCC[N@H+](C)CC(=O)N(C)C ZINC000354245140 261196197 /nfs/dbraw/zinc/19/61/97/261196197.db2.gz TVGIMSHNXLRPKC-UHFFFAOYSA-N 1 3 300.447 0.197 20 0 DCADHO CN(C)C(=O)CN(C)CCCCC[N@@H+](C)CC(=O)N(C)C ZINC000354245140 261196199 /nfs/dbraw/zinc/19/61/99/261196199.db2.gz TVGIMSHNXLRPKC-UHFFFAOYSA-N 1 3 300.447 0.197 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000370117269 284343374 /nfs/dbraw/zinc/34/33/74/284343374.db2.gz QNFNUCIEQICCIM-ARFHVFGLSA-N 1 3 324.469 0.833 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000370117269 284343376 /nfs/dbraw/zinc/34/33/76/284343376.db2.gz QNFNUCIEQICCIM-ARFHVFGLSA-N 1 3 324.469 0.833 20 0 DCADHO COCCNCCNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000572959460 291600600 /nfs/dbraw/zinc/60/06/00/291600600.db2.gz PIEATYYSWXWXOX-AWEZNQCLSA-N 1 3 301.431 0.132 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000573464925 291634292 /nfs/dbraw/zinc/63/42/92/291634292.db2.gz CVYJTGQEWWZDGS-CABCVRRESA-N 1 3 308.470 0.518 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000573460354 291634409 /nfs/dbraw/zinc/63/44/09/291634409.db2.gz SZCWESHHCAMPQZ-JSGCOSHPSA-N 1 3 310.442 0.077 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000573695435 291649068 /nfs/dbraw/zinc/64/90/68/291649068.db2.gz APDPNYKBGMLZAI-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO COCC1(CNC(=O)C[C@@H]2CSCCN2)CC[NH2+]CC1 ZINC000573954169 291665596 /nfs/dbraw/zinc/66/55/96/291665596.db2.gz XEVHVEQYEHPJAA-GFCCVEGCSA-N 1 3 301.456 0.214 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000339671624 253124032 /nfs/dbraw/zinc/12/40/32/253124032.db2.gz VKSLMTVEJNVCFG-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000341286710 253364398 /nfs/dbraw/zinc/36/43/98/253364398.db2.gz PQTSWJHIYMLKLU-HIFRSBDPSA-N 1 3 312.458 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000341286710 253364400 /nfs/dbraw/zinc/36/44/00/253364400.db2.gz PQTSWJHIYMLKLU-HIFRSBDPSA-N 1 3 312.458 0.737 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)CC1CC[NH+](C)CC1 ZINC000346983357 254118931 /nfs/dbraw/zinc/11/89/31/254118931.db2.gz PTVLBNBEHRSPMG-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC(C[NH3+])CC1 ZINC000346691848 254083786 /nfs/dbraw/zinc/08/37/86/254083786.db2.gz XPVUUEDBLHZFKC-UHFFFAOYSA-N 1 3 307.442 0.736 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000347250036 254142686 /nfs/dbraw/zinc/14/26/86/254142686.db2.gz YTRVDJQWYOQSGY-ZNMIVQPWSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000347250036 254142688 /nfs/dbraw/zinc/14/26/88/254142688.db2.gz YTRVDJQWYOQSGY-ZNMIVQPWSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCN1C ZINC000348020024 254213723 /nfs/dbraw/zinc/21/37/23/254213723.db2.gz QJKIKDAPUPSBPE-BARDWOONSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NCC1CCN(CCO)CC1 ZINC000349629880 254290324 /nfs/dbraw/zinc/29/03/24/254290324.db2.gz JARBDTHMXFKWBY-CYBMUJFWSA-N 1 3 300.447 0.330 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)C1=CC[N@H+](C)CC1 ZINC000348766969 254254090 /nfs/dbraw/zinc/25/40/90/254254090.db2.gz VAIGYLGGDQNHJS-AWEZNQCLSA-N 1 3 322.453 0.307 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000348766969 254254092 /nfs/dbraw/zinc/25/40/92/254254092.db2.gz VAIGYLGGDQNHJS-AWEZNQCLSA-N 1 3 322.453 0.307 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000351863936 254376321 /nfs/dbraw/zinc/37/63/21/254376321.db2.gz VVJATGFEDKUHFV-WCQYABFASA-N 1 3 304.394 0.783 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351897171 254379002 /nfs/dbraw/zinc/37/90/02/254379002.db2.gz HSGQLCRPNSHKJW-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CN(C)C)CC1=O ZINC000346237152 285254503 /nfs/dbraw/zinc/25/45/03/285254503.db2.gz YYNNSCMJFNRXBI-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CN(C)C)CC1=O ZINC000346237152 285254506 /nfs/dbraw/zinc/25/45/06/285254506.db2.gz YYNNSCMJFNRXBI-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCN(c2ccccc2CN(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000415098891 285339134 /nfs/dbraw/zinc/33/91/34/285339134.db2.gz JRCOGUKMJCUPMM-ROUUACIJSA-N 1 3 318.465 0.593 20 0 DCADHO COC(=O)c1cncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000091246401 395724484 /nfs/dbraw/zinc/72/44/84/395724484.db2.gz UNKMFTANLHPQSJ-UHFFFAOYSA-N 1 3 322.409 0.434 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000236757124 395897819 /nfs/dbraw/zinc/89/78/19/395897819.db2.gz CKPSWYBFIIMWMW-KBPBESRZSA-N 1 3 312.458 0.228 20 0 DCADHO COC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000125283559 395902232 /nfs/dbraw/zinc/90/22/32/395902232.db2.gz WFHALOWDUGOIID-UHFFFAOYSA-N 1 3 311.382 0.632 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000118976077 395866027 /nfs/dbraw/zinc/86/60/27/395866027.db2.gz AFEVORBCKUKSFB-CQSZACIVSA-N 1 3 307.442 0.397 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261616045 396049491 /nfs/dbraw/zinc/04/94/91/396049491.db2.gz AFZJPVKPTMSLGL-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO CO[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000156351888 396061097 /nfs/dbraw/zinc/06/10/97/396061097.db2.gz JYHBEOPNFFJHBA-ZIAGYGMSSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261803026 396068187 /nfs/dbraw/zinc/06/81/87/396068187.db2.gz UWPNHPVKFJIVLQ-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CCN(C)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000261981159 396086481 /nfs/dbraw/zinc/08/64/81/396086481.db2.gz RKQGVQRBNZXPHT-HNNXBMFYSA-N 1 3 319.453 0.825 20 0 DCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000262009599 396089797 /nfs/dbraw/zinc/08/97/97/396089797.db2.gz SWEGLHWDXDXXLI-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000262036654 396092529 /nfs/dbraw/zinc/09/25/29/396092529.db2.gz KRCZZGBWGUETKA-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO COCCN(C)CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000171194143 396109925 /nfs/dbraw/zinc/10/99/25/396109925.db2.gz BDTBQKVOEUZUHG-UHFFFAOYSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000262343771 396128109 /nfs/dbraw/zinc/12/81/09/396128109.db2.gz GLKWTLYDOKHHNT-BVUBDWEXSA-N 1 3 303.406 0.488 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000162241280 396079172 /nfs/dbraw/zinc/07/91/72/396079172.db2.gz DBZSYGLEVVKCJU-MRXNPFEDSA-N 1 3 308.470 0.711 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000263228086 396206926 /nfs/dbraw/zinc/20/69/26/396206926.db2.gz HEBZPRLWJTTYNV-NFAWXSAZSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000263228086 396206929 /nfs/dbraw/zinc/20/69/29/396206929.db2.gz HEBZPRLWJTTYNV-NFAWXSAZSA-N 1 3 312.458 0.465 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074181129 396160117 /nfs/dbraw/zinc/16/01/17/396160117.db2.gz IRUZUYBQZFXYKJ-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074181129 396160120 /nfs/dbraw/zinc/16/01/20/396160120.db2.gz IRUZUYBQZFXYKJ-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000262949468 396194127 /nfs/dbraw/zinc/19/41/27/396194127.db2.gz BQVKXFSVXMPDKW-INIZCTEOSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262949468 396194131 /nfs/dbraw/zinc/19/41/31/396194131.db2.gz BQVKXFSVXMPDKW-INIZCTEOSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](C[NH3+])C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000285779728 396353021 /nfs/dbraw/zinc/35/30/21/396353021.db2.gz MXOMJSUVHKZOBU-CYBMUJFWSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000286279980 396385320 /nfs/dbraw/zinc/38/53/20/396385320.db2.gz WKOMSRGGIHTERI-INIZCTEOSA-N 1 3 318.465 0.905 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(O)CCC3)CC2)CC1 ZINC000371698498 396474416 /nfs/dbraw/zinc/47/44/16/396474416.db2.gz RZLQEFMXAAHDMX-UHFFFAOYSA-N 1 3 324.469 0.759 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000371813597 396477563 /nfs/dbraw/zinc/47/75/63/396477563.db2.gz FHKZAFRRKWADIQ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000371813597 396477564 /nfs/dbraw/zinc/47/75/64/396477564.db2.gz FHKZAFRRKWADIQ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000519695440 396524921 /nfs/dbraw/zinc/52/49/21/396524921.db2.gz WHRKNPFTSNHMKO-HZPDHXFCSA-N 1 3 320.437 0.967 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000531550604 396597881 /nfs/dbraw/zinc/59/78/81/396597881.db2.gz ACRNDFZUVAQFKV-YDHLFZDLSA-N 1 3 310.442 0.489 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000531550604 396597882 /nfs/dbraw/zinc/59/78/82/396597882.db2.gz ACRNDFZUVAQFKV-YDHLFZDLSA-N 1 3 310.442 0.489 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C[C@H](O)C[N@H+](C)C3CC3)C2)CC1 ZINC000582329355 396604324 /nfs/dbraw/zinc/60/43/24/396604324.db2.gz MXHVAHGYDJPJCV-ZWKOTPCHSA-N 1 3 324.513 0.542 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)C2)CC1 ZINC000582329355 396604326 /nfs/dbraw/zinc/60/43/26/396604326.db2.gz MXHVAHGYDJPJCV-ZWKOTPCHSA-N 1 3 324.513 0.542 20 0 DCADHO O=C(N[C@H]1CNCCC1(F)F)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000561223058 396635540 /nfs/dbraw/zinc/63/55/40/396635540.db2.gz PXJYUOLXFGFEIL-TUAOUCFPSA-N 1 3 302.369 0.625 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CCC[C@H]2CN2CCCCC2)nn1 ZINC000563051817 396696552 /nfs/dbraw/zinc/69/65/52/396696552.db2.gz DNWAMBKTMAXBPK-AWEZNQCLSA-N 1 3 320.441 0.717 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000563076284 396699924 /nfs/dbraw/zinc/69/99/24/396699924.db2.gz QJTFZKOQYAYSBI-MRXNPFEDSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000563457039 396739495 /nfs/dbraw/zinc/73/94/95/396739495.db2.gz IAMIUQDPBLBNBW-CQSZACIVSA-N 1 3 322.453 0.259 20 0 DCADHO CCN(CCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C1CC1 ZINC000563566827 396753131 /nfs/dbraw/zinc/75/31/31/396753131.db2.gz PFAQHTGCXIWZIK-HNNXBMFYSA-N 1 3 309.458 0.160 20 0 DCADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000563606346 396759210 /nfs/dbraw/zinc/75/92/10/396759210.db2.gz JXSSWTCLGXSMSG-QXSJWSMHSA-N 1 3 318.421 0.815 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000563644876 396765180 /nfs/dbraw/zinc/76/51/80/396765180.db2.gz RDIPIWQUZOARGU-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000629792383 396835388 /nfs/dbraw/zinc/83/53/88/396835388.db2.gz MQODNUJJXZBNPK-UHFFFAOYSA-N 1 3 324.425 0.285 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000564725873 396862242 /nfs/dbraw/zinc/86/22/42/396862242.db2.gz GPNSQFYJNGPCEQ-LALPHHSUSA-N 1 3 305.426 0.899 20 0 DCADHO O[C@H](CNC[C@H]1CCC2(CCOCC2)[C@@H]1O)C[NH+]1CCCC1 ZINC000629597983 396804799 /nfs/dbraw/zinc/80/47/99/396804799.db2.gz VDQCIWRUDDOSPC-BZUAXINKSA-N 1 3 312.454 0.600 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCN1CC[C@@H](O)C1 ZINC000629606168 396806570 /nfs/dbraw/zinc/80/65/70/396806570.db2.gz DHUAXMULEJFOFC-IAGOWNOFSA-N 1 3 307.438 0.136 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCN1CC[C@@H](O)C1 ZINC000629606168 396806575 /nfs/dbraw/zinc/80/65/75/396806575.db2.gz DHUAXMULEJFOFC-IAGOWNOFSA-N 1 3 307.438 0.136 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1CC[NH+](C2CC2)CC1 ZINC000375758775 396813631 /nfs/dbraw/zinc/81/36/31/396813631.db2.gz WCAYHYMMLNBAKU-HOTGVXAUSA-N 1 3 307.438 0.840 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000331588732 396871643 /nfs/dbraw/zinc/87/16/43/396871643.db2.gz YDQZSZKFSFQZIR-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333853364 396933919 /nfs/dbraw/zinc/93/39/19/396933919.db2.gz XTGVKWJNTZVIRD-QLFBSQMISA-N 1 3 324.469 0.737 20 0 DCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333853364 396933926 /nfs/dbraw/zinc/93/39/26/396933926.db2.gz XTGVKWJNTZVIRD-QLFBSQMISA-N 1 3 324.469 0.737 20 0 DCADHO CN1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)[C@@H](C[NH3+])C1 ZINC000571745725 396982035 /nfs/dbraw/zinc/98/20/35/396982035.db2.gz ADTXPIXJRRMCJE-GJZGRUSLSA-N 1 3 309.458 0.288 20 0 DCADHO CC(C)N(C)C[C@H](C)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000572029366 397014545 /nfs/dbraw/zinc/01/45/45/397014545.db2.gz KVRSVQHNABUAEV-JJXSEGSLSA-N 1 3 301.475 0.775 20 0 DCADHO CC(C)COC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000571634328 396972447 /nfs/dbraw/zinc/97/24/47/396972447.db2.gz NNSROHGUQNUKJI-IXDOHACOSA-N 1 3 314.470 0.987 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000612547419 397090610 /nfs/dbraw/zinc/09/06/10/397090610.db2.gz CXIBCHASFXNFKC-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NC2C[NH2+]C2)C1 ZINC000572304323 397045843 /nfs/dbraw/zinc/04/58/43/397045843.db2.gz MIQHGIBQMXZSSL-MRXNPFEDSA-N 1 3 302.422 0.917 20 0 DCADHO CN(CCC[NH+](C)C)CCn1cc([C@H](N)[C@@H]2CCCO2)nn1 ZINC000630611365 397061367 /nfs/dbraw/zinc/06/13/67/397061367.db2.gz FCALSFQRCDVVMH-GJZGRUSLSA-N 1 3 310.446 0.340 20 0 DCADHO CN(C)CCNC(=O)c1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000573199176 397143222 /nfs/dbraw/zinc/14/32/22/397143222.db2.gz NDOYRAAQGYHXEE-UHFFFAOYSA-N 1 3 305.422 0.983 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(=O)[nH]c2)CC1 ZINC000631068537 397164969 /nfs/dbraw/zinc/16/49/69/397164969.db2.gz JAQZUVKWPLDICF-UHFFFAOYSA-N 1 3 306.410 0.820 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N[C@H]2CC23CC[NH2+]CC3)CCCO1 ZINC000612982643 397171186 /nfs/dbraw/zinc/17/11/86/397171186.db2.gz ABWTUMGAAJYROQ-GJZGRUSLSA-N 1 3 324.469 0.929 20 0 DCADHO NC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000573605492 397186190 /nfs/dbraw/zinc/18/61/90/397186190.db2.gz BZMQICOSLMSANJ-CABCVRRESA-N 1 3 318.421 0.042 20 0 DCADHO CN(CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000574020734 397227540 /nfs/dbraw/zinc/22/75/40/397227540.db2.gz XUSAUNSRLLJQRL-UHFFFAOYSA-N 1 3 316.405 0.481 20 0 DCADHO CN(C)[C@@H](CNC(=O)N(C)CCOCC[NH3+])Cc1ccccc1 ZINC000626921867 397289154 /nfs/dbraw/zinc/28/91/54/397289154.db2.gz LEPJAFOGKPDOBU-MRXNPFEDSA-N 1 3 322.453 0.776 20 0 DCADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[N@H+](C)CC)C12CCOCC2 ZINC000574769268 397298618 /nfs/dbraw/zinc/29/86/18/397298618.db2.gz VHZRVWYUYPEVMC-RBSFLKMASA-N 1 3 300.443 0.863 20 0 DCADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[N@@H+](C)CC)C12CCOCC2 ZINC000574769268 397298622 /nfs/dbraw/zinc/29/86/22/397298622.db2.gz VHZRVWYUYPEVMC-RBSFLKMASA-N 1 3 300.443 0.863 20 0 DCADHO C[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)N(C)C1CC1 ZINC000592958554 397303456 /nfs/dbraw/zinc/30/34/56/397303456.db2.gz DCGGQVVQDAQHGX-VXGBXAGGSA-N 1 3 305.426 0.932 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000577753576 397359674 /nfs/dbraw/zinc/35/96/74/397359674.db2.gz RICDZYRFEPOWIF-HRCADAONSA-N 1 3 324.469 0.169 20 0 DCADHO C[NH2+][C@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418628933 397375988 /nfs/dbraw/zinc/37/59/88/397375988.db2.gz PTUIQJCBRISDAT-ZIAGYGMSSA-N 1 3 311.474 0.404 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419526502 397380587 /nfs/dbraw/zinc/38/05/87/397380587.db2.gz TYDARCOLKKQUBS-LJISPDSOSA-N 1 3 324.469 0.337 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCN(CC)CC)CC1 ZINC000419729666 397381509 /nfs/dbraw/zinc/38/15/09/397381509.db2.gz IHPQXLQNEDRYDQ-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419770589 397382109 /nfs/dbraw/zinc/38/21/09/397382109.db2.gz FTOQPLRCZVRUFU-CXAGYDPISA-N 1 3 324.469 0.420 20 0 DCADHO CCOC(=O)c1cc(CNC2CCN(CC[NH+](C)C)CC2)on1 ZINC000602508430 397425059 /nfs/dbraw/zinc/42/50/59/397425059.db2.gz MRZZFZDZJOGSGP-UHFFFAOYSA-N 1 3 324.425 0.967 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471651036 397451422 /nfs/dbraw/zinc/45/14/22/397451422.db2.gz ZIOYQMLOWFIDOW-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471651036 397451428 /nfs/dbraw/zinc/45/14/28/397451428.db2.gz ZIOYQMLOWFIDOW-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000578670664 397469422 /nfs/dbraw/zinc/46/94/22/397469422.db2.gz VCTGIQONSGHXID-UHFFFAOYSA-N 1 3 306.410 0.172 20 0 DCADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@H](N(C)C)C1)CC[NH2+]CC2 ZINC000578879902 397496771 /nfs/dbraw/zinc/49/67/71/397496771.db2.gz UCAMMEMOLRAXAY-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCC(=O)NC[C@@]1(O)CN2CCC1CC2)c1cc[nH+]cc1 ZINC000578883350 397498106 /nfs/dbraw/zinc/49/81/06/397498106.db2.gz XWYCKZWYAIGXKA-QGZVFWFLSA-N 1 3 318.421 0.481 20 0 DCADHO C[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CCN1C(=O)/C=C\CN(C)C ZINC000491881081 397504643 /nfs/dbraw/zinc/50/46/43/397504643.db2.gz GCGHUJVGYTUEQK-GLGSHFFMSA-N 1 3 322.453 0.281 20 0 DCADHO C[C@H]1CN(C(=O)/C=C/CN(C)C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491881081 397504645 /nfs/dbraw/zinc/50/46/45/397504645.db2.gz GCGHUJVGYTUEQK-GLGSHFFMSA-N 1 3 322.453 0.281 20 0 DCADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000579333671 397552761 /nfs/dbraw/zinc/55/27/61/397552761.db2.gz SKVHIXKDFSUVJK-JYAVWHMHSA-N 1 3 317.393 0.140 20 0 DCADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H](C)C1 ZINC000579091180 397520576 /nfs/dbraw/zinc/52/05/76/397520576.db2.gz BQZVHTSSWKDWOH-FZKCQIBNSA-N 1 3 323.485 0.262 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000579221193 397535465 /nfs/dbraw/zinc/53/54/65/397535465.db2.gz MFSORUYYYCJLLI-KKUMJFAQSA-N 1 3 322.453 0.126 20 0 DCADHO CCOCC[C@H](O)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000579701451 397589086 /nfs/dbraw/zinc/58/90/86/397589086.db2.gz FVNGSFWUGPYQDP-HOCLYGCPSA-N 1 3 300.443 0.864 20 0 DCADHO CN1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000603783237 397620638 /nfs/dbraw/zinc/62/06/38/397620638.db2.gz YSROQGHBLNWDQZ-OAHLLOKOSA-N 1 3 303.410 0.866 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000605413668 397664470 /nfs/dbraw/zinc/66/44/70/397664470.db2.gz SSBRLPKHODCENT-HUUCEWRRSA-N 1 3 312.458 0.737 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000605413668 397664472 /nfs/dbraw/zinc/66/44/72/397664472.db2.gz SSBRLPKHODCENT-HUUCEWRRSA-N 1 3 312.458 0.737 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000608437634 397730326 /nfs/dbraw/zinc/73/03/26/397730326.db2.gz JSPGUKCYYGMFNR-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000608437634 397730329 /nfs/dbraw/zinc/73/03/29/397730329.db2.gz JSPGUKCYYGMFNR-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000608693793 397747314 /nfs/dbraw/zinc/74/73/14/397747314.db2.gz YPZVPQJIBMPCGZ-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO CN1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050798706 158011805 /nfs/dbraw/zinc/01/18/05/158011805.db2.gz HRGCCOYYRIHNTF-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)N1CCC(C)CC1 ZINC000123929215 158235347 /nfs/dbraw/zinc/23/53/47/158235347.db2.gz XTNHZBBXGIBSEB-ZBFHGGJFSA-N 1 3 314.474 0.719 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000262223881 158787562 /nfs/dbraw/zinc/78/75/62/158787562.db2.gz UTBUCVOKUMRXDW-HNNXBMFYSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]1CN(CC2CC[NH+](CC3(CO)COC3)CC2)C[C@@H](C)O1 ZINC000084881729 286930902 /nfs/dbraw/zinc/93/09/02/286930902.db2.gz GNSASUXYYSDHEV-HUUCEWRRSA-N 1 3 312.454 0.817 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)C[NH2+]C)CC1=O ZINC000252656512 287120839 /nfs/dbraw/zinc/12/08/39/287120839.db2.gz HQJSMBLLXKISRP-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418348000 287245182 /nfs/dbraw/zinc/24/51/82/287245182.db2.gz WGMVUTSQJMDOPT-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000418391921 287247289 /nfs/dbraw/zinc/24/72/89/287247289.db2.gz VUDPZULGLMVDMM-HIFRSBDPSA-N 1 3 306.410 0.959 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418954843 287257227 /nfs/dbraw/zinc/25/72/27/287257227.db2.gz XQJYCDNTHACULR-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419020441 287261303 /nfs/dbraw/zinc/26/13/03/287261303.db2.gz FUJURVRFMNJUNX-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419021587 287262004 /nfs/dbraw/zinc/26/20/04/287262004.db2.gz HBVCNJUNAYCTIE-XJFOESAGSA-N 1 3 312.458 0.275 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)C1 ZINC000419046148 287263671 /nfs/dbraw/zinc/26/36/71/287263671.db2.gz PACXBRTYDLTCTI-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419046156 287263707 /nfs/dbraw/zinc/26/37/07/287263707.db2.gz PBNWWQAAXFLUFG-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000419340582 287281931 /nfs/dbraw/zinc/28/19/31/287281931.db2.gz XDFBZHBKAYNMEF-SCRDCRAPSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419341922 287282093 /nfs/dbraw/zinc/28/20/93/287282093.db2.gz ZWGBAEVXEAQMLY-UXOAXIEHSA-N 1 3 322.453 0.171 20 0 DCADHO CC[NH+](CC)CCCN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000420298740 287286891 /nfs/dbraw/zinc/28/68/91/287286891.db2.gz SLWQVHWUVCXXBB-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420324370 287290718 /nfs/dbraw/zinc/29/07/18/287290718.db2.gz VCNYZRYGLPFVMV-KBPBESRZSA-N 1 3 303.472 0.780 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000420444541 287298581 /nfs/dbraw/zinc/29/85/81/287298581.db2.gz RTZLYUIOLXDYLI-ZJUUUORDSA-N 1 3 317.459 0.076 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000343213265 415506266 /nfs/dbraw/zinc/50/62/66/415506266.db2.gz VLPRRDMBMSVIQV-LSDHHAIUSA-N 1 3 308.470 0.376 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332973018 415520747 /nfs/dbraw/zinc/52/07/47/415520747.db2.gz CIMMLCUPPJNLKC-QKPAOTATSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332973018 415520753 /nfs/dbraw/zinc/52/07/53/415520753.db2.gz CIMMLCUPPJNLKC-QKPAOTATSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093695715 415544485 /nfs/dbraw/zinc/54/44/85/415544485.db2.gz NKTVAMREHULWRV-MELADBBJSA-N 1 3 303.472 0.717 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(CC)CC1 ZINC000353458283 415548781 /nfs/dbraw/zinc/54/87/81/415548781.db2.gz JDJWFWAPSZATFX-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000353509577 415574197 /nfs/dbraw/zinc/57/41/97/415574197.db2.gz HSQZYYAOSHFLGH-OWCLPIDISA-N 1 3 310.486 0.620 20 0 DCADHO CCC[C@@](C)([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353654484 415615089 /nfs/dbraw/zinc/61/50/89/415615089.db2.gz ZPCCSBIKENFWID-XJKSGUPXSA-N 1 3 312.458 0.563 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333360418 415622203 /nfs/dbraw/zinc/62/22/03/415622203.db2.gz KYLQRXRSAPMYSZ-TUVASFSCSA-N 1 3 310.442 0.394 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000353574412 415593122 /nfs/dbraw/zinc/59/31/22/415593122.db2.gz BUNCHELKBVBTGW-OAHLLOKOSA-N 1 3 324.469 0.123 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000353574412 415593128 /nfs/dbraw/zinc/59/31/28/415593128.db2.gz BUNCHELKBVBTGW-OAHLLOKOSA-N 1 3 324.469 0.123 20 0 DCADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000333269327 415599745 /nfs/dbraw/zinc/59/97/45/415599745.db2.gz KEXBDAXTSAGXHP-HZPDHXFCSA-N 1 3 311.470 0.975 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000343652394 415672381 /nfs/dbraw/zinc/67/23/81/415672381.db2.gz CHALUCSEPGYUQN-INIZCTEOSA-N 1 3 306.454 0.463 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108565288 415680673 /nfs/dbraw/zinc/68/06/73/415680673.db2.gz LZVYSZUMRGTMHO-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000108565288 415680679 /nfs/dbraw/zinc/68/06/79/415680679.db2.gz LZVYSZUMRGTMHO-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO NC[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000343694972 415687923 /nfs/dbraw/zinc/68/79/23/415687923.db2.gz WFXGYOAJLFRZPZ-JKSUJKDBSA-N 1 3 320.412 0.374 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343777037 415723953 /nfs/dbraw/zinc/72/39/53/415723953.db2.gz XGDJTYWGNMDBEX-JALIKCBVSA-N 1 3 309.454 0.894 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000333647998 415704224 /nfs/dbraw/zinc/70/42/24/415704224.db2.gz JIOACZMDPFJTRR-HNNXBMFYSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000333817336 415746671 /nfs/dbraw/zinc/74/66/71/415746671.db2.gz KHNDQCVAIJEQPU-ZNMIVQPWSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333933037 415768061 /nfs/dbraw/zinc/76/80/61/415768061.db2.gz HKVHWWVSUCIPOE-AWEZNQCLSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333933037 415768066 /nfs/dbraw/zinc/76/80/66/415768066.db2.gz HKVHWWVSUCIPOE-AWEZNQCLSA-N 1 3 324.469 0.881 20 0 DCADHO CCC[N@H+](CCN1CCOCC1)CCN1CCN(CC)CC1 ZINC000344117617 415843852 /nfs/dbraw/zinc/84/38/52/415843852.db2.gz BQSDFTHIXQBUIH-UHFFFAOYSA-N 1 3 312.502 0.668 20 0 DCADHO CCC[N@@H+](CCN1CCOCC1)CCN1CCN(CC)CC1 ZINC000344117617 415843855 /nfs/dbraw/zinc/84/38/55/415843855.db2.gz BQSDFTHIXQBUIH-UHFFFAOYSA-N 1 3 312.502 0.668 20 0 DCADHO C[N@H+](C[C@@H](O)CN1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000336864585 415846237 /nfs/dbraw/zinc/84/62/37/415846237.db2.gz HOUKCFLLLVBTCF-QGZVFWFLSA-N 1 3 311.470 0.486 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000336864585 415846240 /nfs/dbraw/zinc/84/62/40/415846240.db2.gz HOUKCFLLLVBTCF-QGZVFWFLSA-N 1 3 311.470 0.486 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344451982 415917912 /nfs/dbraw/zinc/91/79/12/415917912.db2.gz AVXJTVNFZMMCMN-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)N(C)C)CC1=O ZINC000356523276 415940140 /nfs/dbraw/zinc/94/01/40/415940140.db2.gz MIXLRYNBMDOQCG-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)N(C)C)CC1=O ZINC000356523276 415940147 /nfs/dbraw/zinc/94/01/47/415940147.db2.gz MIXLRYNBMDOQCG-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000337796141 416010801 /nfs/dbraw/zinc/01/08/01/416010801.db2.gz FMXOMPMBXOMTFM-CABCVRRESA-N 1 3 312.458 0.027 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CN1C1CC1 ZINC000164164867 416017674 /nfs/dbraw/zinc/01/76/74/416017674.db2.gz PZDRIMGIDWYCED-ZIAGYGMSSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CN1C1CC1 ZINC000164164867 416017676 /nfs/dbraw/zinc/01/76/76/416017676.db2.gz PZDRIMGIDWYCED-ZIAGYGMSSA-N 1 3 324.469 0.710 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000338457526 416100331 /nfs/dbraw/zinc/10/03/31/416100331.db2.gz KCAOXZRCFLZVDB-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000357593184 416102251 /nfs/dbraw/zinc/10/22/51/416102251.db2.gz KZCCDEFDWPEQCO-CYBMUJFWSA-N 1 3 320.437 0.796 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000175739199 416112833 /nfs/dbraw/zinc/11/28/33/416112833.db2.gz LUNRPWCJMRUGST-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CC(C)N1CCO[C@H](CN2CCN(CC3CC[NH2+]CC3)CC2)C1 ZINC000178983036 416179277 /nfs/dbraw/zinc/17/92/77/416179277.db2.gz NSMAAFMGHSHLIP-GOSISDBHSA-N 1 3 324.513 0.713 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358142335 416200461 /nfs/dbraw/zinc/20/04/61/416200461.db2.gz QSZLSYVGDLIFBE-RDJZCZTQSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358142335 416200464 /nfs/dbraw/zinc/20/04/64/416200464.db2.gz QSZLSYVGDLIFBE-RDJZCZTQSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000358531390 416252149 /nfs/dbraw/zinc/25/21/49/416252149.db2.gz SINPXLZWKPGCEO-ZIAGYGMSSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)N(C)C1CC1 ZINC000341977466 416260761 /nfs/dbraw/zinc/26/07/61/416260761.db2.gz URRBPRGXSKUPFX-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000358724193 416274023 /nfs/dbraw/zinc/27/40/23/416274023.db2.gz QKMZXJSPWCSKNL-INIZCTEOSA-N 1 3 312.458 0.615 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000358808485 416276613 /nfs/dbraw/zinc/27/66/13/416276613.db2.gz FZQOKJPZBVJBBR-HZPDHXFCSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000358808485 416276616 /nfs/dbraw/zinc/27/66/16/416276616.db2.gz FZQOKJPZBVJBBR-HZPDHXFCSA-N 1 3 323.485 0.502 20 0 DCADHO CCN(CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)S(C)(=O)=O ZINC000249700252 416334445 /nfs/dbraw/zinc/33/44/45/416334445.db2.gz BGSVAFQKQHWRMO-KGLIPLIRSA-N 1 3 303.472 0.874 20 0 DCADHO CCN(CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)S(C)(=O)=O ZINC000249700252 416334446 /nfs/dbraw/zinc/33/44/46/416334446.db2.gz BGSVAFQKQHWRMO-KGLIPLIRSA-N 1 3 303.472 0.874 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261772768 416335674 /nfs/dbraw/zinc/33/56/74/416335674.db2.gz GWQQDXLGEBAAJQ-NSHDSACASA-N 1 3 310.364 0.279 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415411626 416341748 /nfs/dbraw/zinc/34/17/48/416341748.db2.gz BGYFUXGJGNMBGG-GFCCVEGCSA-N 1 3 306.410 0.801 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000415850357 416356225 /nfs/dbraw/zinc/35/62/25/416356225.db2.gz XCCHCZSPQRAYES-TZMCWYRMSA-N 1 3 318.421 0.801 20 0 DCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000359927920 416366763 /nfs/dbraw/zinc/36/67/63/416366763.db2.gz ZIRPQBWADDMHQM-ZFWWWQNUSA-N 1 3 300.447 0.473 20 0 DCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000359927920 416366764 /nfs/dbraw/zinc/36/67/64/416366764.db2.gz ZIRPQBWADDMHQM-ZFWWWQNUSA-N 1 3 300.447 0.473 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000416887289 416378810 /nfs/dbraw/zinc/37/88/10/416378810.db2.gz NVFDZWRVIRAZFS-UHFFFAOYSA-N 1 3 319.453 0.453 20 0 DCADHO Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000417313854 416382775 /nfs/dbraw/zinc/38/27/75/416382775.db2.gz QFEXZWJDAHGJRN-CVEARBPZSA-N 1 3 320.437 0.967 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417563663 416383751 /nfs/dbraw/zinc/38/37/51/416383751.db2.gz HRXVYDXQFWYVJJ-RRFJBIMHSA-N 1 3 312.458 0.914 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417870980 416384767 /nfs/dbraw/zinc/38/47/67/416384767.db2.gz JCMBXGSKXPDFCL-UKRRQHHQSA-N 1 3 309.458 0.064 20 0 DCADHO C[NH2+][C@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418628931 416387861 /nfs/dbraw/zinc/38/78/61/416387861.db2.gz PTUIQJCBRISDAT-KGLIPLIRSA-N 1 3 311.474 0.404 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662157 416388615 /nfs/dbraw/zinc/38/86/15/416388615.db2.gz SDIGNYJVZLYGAL-LSDHHAIUSA-N 1 3 303.410 0.603 20 0 DCADHO CN(CCN)C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419274851 416398413 /nfs/dbraw/zinc/39/84/13/416398413.db2.gz YIMKBGUVLGLLFK-UHFFFAOYSA-N 1 3 318.421 0.316 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419289162 416398740 /nfs/dbraw/zinc/39/87/40/416398740.db2.gz SZJMZFYGMRNBSN-MRXNPFEDSA-N 1 3 310.442 0.047 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419719592 416405945 /nfs/dbraw/zinc/40/59/45/416405945.db2.gz CSWANMASGFXRPJ-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nn1 ZINC000423114178 416468605 /nfs/dbraw/zinc/46/86/05/416468605.db2.gz ZYDRFWQYZXKBOI-XQQFMLRXSA-N 1 3 307.398 0.575 20 0 DCADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423171902 416473318 /nfs/dbraw/zinc/47/33/18/416473318.db2.gz QLUCCNXYQKZXBD-UONOGXRCSA-N 1 3 308.426 0.023 20 0 DCADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423630891 416530674 /nfs/dbraw/zinc/53/06/74/416530674.db2.gz FMFONBNPZWFZPI-JKSUJKDBSA-N 1 3 308.470 0.790 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000423673532 416538617 /nfs/dbraw/zinc/53/86/17/416538617.db2.gz GVAFFTGAMQNNHZ-UONOGXRCSA-N 1 3 310.442 0.269 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000459421485 416541175 /nfs/dbraw/zinc/54/11/75/416541175.db2.gz ZKEGAXGWYFFZCR-AWEZNQCLSA-N 1 3 322.457 1.298 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000459421485 416541179 /nfs/dbraw/zinc/54/11/79/416541179.db2.gz ZKEGAXGWYFFZCR-AWEZNQCLSA-N 1 3 322.457 1.298 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)COC1CC[NH2+]CC1 ZINC000423747027 416556769 /nfs/dbraw/zinc/55/67/69/416556769.db2.gz OOPNNRRYWIJSKG-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)COC1CC[NH2+]CC1 ZINC000423747026 416557187 /nfs/dbraw/zinc/55/71/87/416557187.db2.gz OOPNNRRYWIJSKG-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423359908 416497311 /nfs/dbraw/zinc/49/73/11/416497311.db2.gz LBXALFANZZZHRB-QWHCGFSZSA-N 1 3 308.430 0.477 20 0 DCADHO COCCN1CC[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423381179 416501445 /nfs/dbraw/zinc/50/14/45/416501445.db2.gz HULOELPUSWLQBN-OLZOCXBDSA-N 1 3 324.391 0.133 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000423403967 416506583 /nfs/dbraw/zinc/50/65/83/416506583.db2.gz XMAXPQAGYODZKM-MCIONIFRSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000423403967 416506585 /nfs/dbraw/zinc/50/65/85/416506585.db2.gz XMAXPQAGYODZKM-MCIONIFRSA-N 1 3 310.442 0.078 20 0 DCADHO CN1CC[C@@H]2OCCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)[C@@H]2C1 ZINC000423934994 416595477 /nfs/dbraw/zinc/59/54/77/416595477.db2.gz XTKRJTFTVHUBHE-OAGGEKHMSA-N 1 3 321.396 0.800 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000424037503 416606882 /nfs/dbraw/zinc/60/68/82/416606882.db2.gz UYSBJDJYXVOCII-GDBMZVCRSA-N 1 3 309.454 0.992 20 0 DCADHO O=C(CCOC1CNC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000423901522 416585937 /nfs/dbraw/zinc/58/59/37/416585937.db2.gz KTAGLXCZNNZVSA-CJNGLKHVSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(CCOC1CNC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000423901522 416585941 /nfs/dbraw/zinc/58/59/41/416585941.db2.gz KTAGLXCZNNZVSA-CJNGLKHVSA-N 1 3 307.438 0.840 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000424432504 416643399 /nfs/dbraw/zinc/64/33/99/416643399.db2.gz AOAOQVBUQWIQKH-UHFFFAOYSA-N 1 3 318.421 0.994 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000515386205 416698553 /nfs/dbraw/zinc/69/85/53/416698553.db2.gz IRKVFHYAGLHEEF-GJZGRUSLSA-N 1 3 308.470 0.661 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000614846097 416712867 /nfs/dbraw/zinc/71/28/67/416712867.db2.gz DZDQIGLZQJDIQY-KBPBESRZSA-N 1 3 315.483 0.243 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000516185196 416718021 /nfs/dbraw/zinc/71/80/21/416718021.db2.gz UGXQUUISDOQHGY-CYBMUJFWSA-N 1 3 308.430 0.431 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443063904 416729451 /nfs/dbraw/zinc/72/94/51/416729451.db2.gz XJDOXTOVXYSINT-HZSPNIEDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]C1 ZINC000517031183 416774595 /nfs/dbraw/zinc/77/45/95/416774595.db2.gz JKPBVGSZFXTKIE-ZFWWWQNUSA-N 1 3 306.414 0.290 20 0 DCADHO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426968719 416791790 /nfs/dbraw/zinc/79/17/90/416791790.db2.gz OMTJNCRFOBCUHI-INIZCTEOSA-N 1 3 309.454 0.918 20 0 DCADHO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426968719 416791795 /nfs/dbraw/zinc/79/17/95/416791795.db2.gz OMTJNCRFOBCUHI-INIZCTEOSA-N 1 3 309.454 0.918 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000631931613 416810483 /nfs/dbraw/zinc/81/04/83/416810483.db2.gz LYNJGIAXRPNIAN-KBPBESRZSA-N 1 3 301.456 0.486 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631938472 416819821 /nfs/dbraw/zinc/81/98/21/416819821.db2.gz FCADXFSSCHDZTQ-ZIAGYGMSSA-N 1 3 301.456 0.486 20 0 DCADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC[N@@H+]1C ZINC000624137176 416962711 /nfs/dbraw/zinc/96/27/11/416962711.db2.gz FAERLDWMWKQDIX-AAVRWANBSA-N 1 3 303.472 0.919 20 0 DCADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC[N@H+]1C ZINC000624137176 416962719 /nfs/dbraw/zinc/96/27/19/416962719.db2.gz FAERLDWMWKQDIX-AAVRWANBSA-N 1 3 303.472 0.919 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H](F)CN3)CC2)CC1 ZINC000446271884 416920484 /nfs/dbraw/zinc/92/04/84/416920484.db2.gz ZMSSUOHRXUNGNZ-SWLSCSKDSA-N 1 3 312.433 0.361 20 0 DCADHO CCN(Cc1ccc(C[NH+](C)C)cc1)c1nc(N)nc(N)n1 ZINC000623933127 416921675 /nfs/dbraw/zinc/92/16/75/416921675.db2.gz SAHTUTFSIKPURX-UHFFFAOYSA-N 1 3 301.398 0.785 20 0 DCADHO CN(C)C[C@@H]1CCCCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000565771916 417017693 /nfs/dbraw/zinc/01/76/93/417017693.db2.gz ABGCUYDZXMAMIO-ZDUSSCGKSA-N 1 3 308.430 0.573 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000520986695 416982698 /nfs/dbraw/zinc/98/26/98/416982698.db2.gz ALZXHLMPOCPANV-LSDHHAIUSA-N 1 3 312.458 0.473 20 0 DCADHO Cn1cncc1CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000641798888 417000205 /nfs/dbraw/zinc/00/02/05/417000205.db2.gz PNIZNZIHRJHHDU-GDBMZVCRSA-N 1 3 319.453 0.543 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785653 417097424 /nfs/dbraw/zinc/09/74/24/417097424.db2.gz AYUVOXMZURBMIE-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431022755 417098430 /nfs/dbraw/zinc/09/84/30/417098430.db2.gz IXBUXHBNVNQKHD-CYBMUJFWSA-N 1 3 310.442 0.932 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431038177 417100286 /nfs/dbraw/zinc/10/02/86/417100286.db2.gz NNLBJMXGIFMAST-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000642439506 417051915 /nfs/dbraw/zinc/05/19/15/417051915.db2.gz JWLOFCZGJCWKDS-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000642439766 417052497 /nfs/dbraw/zinc/05/24/97/417052497.db2.gz OMRUBWVIMZJTBD-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)N1CCC[C@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430659667 417055718 /nfs/dbraw/zinc/05/57/18/417055718.db2.gz BNHGREJVRQXSKE-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000642439968 417057069 /nfs/dbraw/zinc/05/70/69/417057069.db2.gz UGSZXJPTFIKCMY-RRFJBIMHSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000642724351 417079394 /nfs/dbraw/zinc/07/93/94/417079394.db2.gz GHANLLSXGPZLHW-OCCSQVGLSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC[C@H]1[NH3+] ZINC000642733415 417083890 /nfs/dbraw/zinc/08/38/90/417083890.db2.gz MITDUEJEEPWODH-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000642731705 417085621 /nfs/dbraw/zinc/08/56/21/417085621.db2.gz OQFCYSZDPLPBOW-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000449126376 417124467 /nfs/dbraw/zinc/12/44/67/417124467.db2.gz UVXQRGGVSZWMFZ-CYBMUJFWSA-N 1 3 313.442 0.766 20 0 DCADHO CC(C)[C@@H](N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000431058440 417104594 /nfs/dbraw/zinc/10/45/94/417104594.db2.gz SUFRHHRTGXEEEU-OWCLPIDISA-N 1 3 310.486 0.987 20 0 DCADHO CC(C)[C@@H](N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000431058440 417104602 /nfs/dbraw/zinc/10/46/02/417104602.db2.gz SUFRHHRTGXEEEU-OWCLPIDISA-N 1 3 310.486 0.987 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642904241 417114166 /nfs/dbraw/zinc/11/41/66/417114166.db2.gz SVAGRWYFOHSVOV-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000642909372 417118992 /nfs/dbraw/zinc/11/89/92/417118992.db2.gz LOSBQAIEKQFVLH-LBPRGKRZSA-N 1 3 324.400 0.179 20 0 DCADHO [NH3+]C[C@@H](C(=O)N[C@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000449668083 417162615 /nfs/dbraw/zinc/16/26/15/417162615.db2.gz SHXSHRFJTKUGCB-NEPJUHHUSA-N 1 3 301.312 0.981 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(c2ccncc2)CC1 ZINC000637678100 417159584 /nfs/dbraw/zinc/15/95/84/417159584.db2.gz KUTSDHDMCSSEDI-AWEZNQCLSA-N 1 3 303.410 0.913 20 0 DCADHO C[C@H](CNC(=O)N(C)CCOCC[NH3+])N1CCC[C@@H](C)C1 ZINC000626934563 417177591 /nfs/dbraw/zinc/17/75/91/417177591.db2.gz IIHFQBLUMQDJOG-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO CN(C)CCn1c2cc(C(=O)N3CC[C@@H]([NH3+])C3)ccc2[nH]c1=O ZINC000637801381 417188333 /nfs/dbraw/zinc/18/83/33/417188333.db2.gz JKWXZDDVDOTJGL-GFCCVEGCSA-N 1 3 317.393 0.477 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NC2CCN(C3CC3)CC2)n1 ZINC000568879661 417189828 /nfs/dbraw/zinc/18/98/28/417189828.db2.gz KFGVEHTVGCQMNU-UHFFFAOYSA-N 1 3 305.426 0.801 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC[C@@H]1[NH3+] ZINC000643505768 417229903 /nfs/dbraw/zinc/22/99/03/417229903.db2.gz IOJGBZUKOLEFEM-RDBSUJKOSA-N 1 3 310.442 0.125 20 0 DCADHO CNS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000643454621 417211684 /nfs/dbraw/zinc/21/16/84/417211684.db2.gz SFXGRTWAUSHCKG-HUUCEWRRSA-N 1 3 311.451 0.953 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000643500351 417226724 /nfs/dbraw/zinc/22/67/24/417226724.db2.gz IKVLVJQYMOVZCF-KRWDZBQOSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433401433 417267144 /nfs/dbraw/zinc/26/71/44/417267144.db2.gz SCYLYCDMFHGXNJ-XBFCOCLRSA-N 1 3 318.425 0.415 20 0 DCADHO Cn1ncc2c1ncnc2N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000569582617 417269075 /nfs/dbraw/zinc/26/90/75/417269075.db2.gz WZWKMWKBFIWNJE-CYBMUJFWSA-N 1 3 315.425 0.485 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCCCC[NH2+]3)C2)nn1 ZINC000569607049 417274294 /nfs/dbraw/zinc/27/42/94/417274294.db2.gz RFSJSUPPHMVTBV-ZIAGYGMSSA-N 1 3 306.414 0.433 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000414333941 417274558 /nfs/dbraw/zinc/27/45/58/417274558.db2.gz UDKIRZRQOLHQSS-OAHLLOKOSA-N 1 3 322.501 0.849 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000569693751 417284399 /nfs/dbraw/zinc/28/43/99/417284399.db2.gz ZIXVBZJWRBPKAR-OAGGEKHMSA-N 1 3 308.470 0.790 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCNCC23CCCCC3)C1 ZINC000414652620 417291993 /nfs/dbraw/zinc/29/19/93/417291993.db2.gz DNRFWDDEWKLWQH-OAHLLOKOSA-N 1 3 308.470 0.792 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCNCC23CCCCC3)C1 ZINC000414652620 417292000 /nfs/dbraw/zinc/29/20/00/417292000.db2.gz DNRFWDDEWKLWQH-OAHLLOKOSA-N 1 3 308.470 0.792 20 0 DCADHO C[C@H]1C[C@@H](CN2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]1 ZINC000414674197 417295135 /nfs/dbraw/zinc/29/51/35/417295135.db2.gz KKLOUVHATOODSM-KBPBESRZSA-N 1 3 317.437 0.691 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433375481 417259177 /nfs/dbraw/zinc/25/91/77/417259177.db2.gz LMMDURKVCWUMJB-HZSPNIEDSA-N 1 3 318.425 0.511 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638147672 417350787 /nfs/dbraw/zinc/35/07/87/417350787.db2.gz XWJFJBRHRIKABV-KBMXLJTQSA-N 1 3 304.438 0.641 20 0 DCADHO CC[NH2+][C@@H](C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000638139411 417351715 /nfs/dbraw/zinc/35/17/15/417351715.db2.gz DIUGKMCPMJJJCP-HNNXBMFYSA-N 1 3 319.453 0.708 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000638156493 417357339 /nfs/dbraw/zinc/35/73/39/417357339.db2.gz IEPMOVSXMIHVAP-KBPBESRZSA-N 1 3 301.431 0.167 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638159526 417359893 /nfs/dbraw/zinc/35/98/93/417359893.db2.gz XUOCALZWJIVMFW-BPUTZDHNSA-N 1 3 304.438 0.641 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638157588 417361040 /nfs/dbraw/zinc/36/10/40/417361040.db2.gz VTVWFZKKKHORAX-NSHDSACASA-N 1 3 319.409 0.771 20 0 DCADHO C[C@@H]1C[C@H](CN2CCN(c3ccc(C(N)=O)cn3)CC2)CC[NH2+]1 ZINC000414679287 417297352 /nfs/dbraw/zinc/29/73/52/417297352.db2.gz RVCPIWLJWPQDQL-ZIAGYGMSSA-N 1 3 317.437 0.691 20 0 DCADHO C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[NH+]1CCCCCC1 ZINC000569867041 417304577 /nfs/dbraw/zinc/30/45/77/417304577.db2.gz CAYDYCYVQGOJSW-HZSPNIEDSA-N 1 3 308.426 0.021 20 0 DCADHO CN(CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000414875812 417308608 /nfs/dbraw/zinc/30/86/08/417308608.db2.gz JWSJQIVKXPFKMT-UHFFFAOYSA-N 1 3 316.405 0.481 20 0 DCADHO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@]2(C)CNCCO2)C[C@H](C)O1 ZINC000638074897 417311809 /nfs/dbraw/zinc/31/18/09/417311809.db2.gz BPRQCDROYYEMRG-IJEWVQPXSA-N 1 3 313.442 0.371 20 0 DCADHO C[C@@H]1C[N@H+](CCCCNC(=O)[C@@]2(C)CNCCO2)C[C@H](C)O1 ZINC000638074897 417311814 /nfs/dbraw/zinc/31/18/14/417311814.db2.gz BPRQCDROYYEMRG-IJEWVQPXSA-N 1 3 313.442 0.371 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)[C@@]3(C)CNCCO3)CC2)CC1 ZINC000638088271 417319854 /nfs/dbraw/zinc/31/98/54/417319854.db2.gz KVOHIZXKPOQICC-QGZVFWFLSA-N 1 3 324.469 0.040 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000638086897 417320634 /nfs/dbraw/zinc/32/06/34/417320634.db2.gz WYZNROYYGQLKRL-IAGOWNOFSA-N 1 3 318.465 0.904 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000638086897 417320642 /nfs/dbraw/zinc/32/06/42/417320642.db2.gz WYZNROYYGQLKRL-IAGOWNOFSA-N 1 3 318.465 0.904 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000415131393 417330587 /nfs/dbraw/zinc/33/05/87/417330587.db2.gz SDPVJQSFUZCAFU-NVXWUHKLSA-N 1 3 316.449 0.830 20 0 DCADHO COC[C@@]1(C(=O)NCC2([NH+](C)C)CCOCC2)CCCCN1 ZINC000638111685 417335137 /nfs/dbraw/zinc/33/51/37/417335137.db2.gz PJVKJDUTADHARE-MRXNPFEDSA-N 1 3 313.442 0.372 20 0 DCADHO Cc1cc(NC(=O)CN2CC[NH2+]CC2)n(C2CCN(C)CC2)n1 ZINC000638119908 417338417 /nfs/dbraw/zinc/33/84/17/417338417.db2.gz BRFMJOLAUUIRPB-UHFFFAOYSA-N 1 3 320.441 0.302 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)n1 ZINC000415207268 417339646 /nfs/dbraw/zinc/33/96/46/417339646.db2.gz CSUGHWHJRBXMAG-CYBMUJFWSA-N 1 3 308.430 1.098 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000415206824 417342011 /nfs/dbraw/zinc/34/20/11/417342011.db2.gz BUVCATUDBUKOPN-OLZOCXBDSA-N 1 3 308.430 1.178 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638271642 417398201 /nfs/dbraw/zinc/39/82/01/417398201.db2.gz YLMHTMQBBMIACG-ZDUSSCGKSA-N 1 3 301.431 0.228 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000638293818 417411446 /nfs/dbraw/zinc/41/14/46/417411446.db2.gz SBTPTNKUDHTYOD-ZFWWWQNUSA-N 1 3 312.458 0.914 20 0 DCADHO O=C(NC[C@H]1CNCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638338206 417424445 /nfs/dbraw/zinc/42/44/45/417424445.db2.gz TZELJNMNTMEKDO-HZPDHXFCSA-N 1 3 303.406 0.613 20 0 DCADHO O=C(NC[C@H]1CNCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638338206 417424451 /nfs/dbraw/zinc/42/44/51/417424451.db2.gz TZELJNMNTMEKDO-HZPDHXFCSA-N 1 3 303.406 0.613 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415320754 417365695 /nfs/dbraw/zinc/36/56/95/417365695.db2.gz WJZHTUJQPYVQTQ-AWEZNQCLSA-N 1 3 318.421 0.863 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000570554459 417365960 /nfs/dbraw/zinc/36/59/60/417365960.db2.gz TYPYLDOCLXFALX-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCN1C ZINC000570576962 417369927 /nfs/dbraw/zinc/36/99/27/417369927.db2.gz OVQVTLRCMFBASP-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000638348222 417431665 /nfs/dbraw/zinc/43/16/65/417431665.db2.gz FHVNYRMKCIILCZ-QDFMMOOJSA-N 1 3 321.396 0.846 20 0 DCADHO CC[C@@H]1CN(C(=O)CCN(C)CCOCCOC)CC[C@H]1[NH3+] ZINC000638204976 417371832 /nfs/dbraw/zinc/37/18/32/417371832.db2.gz SJBUHRWOJYWPRF-HUUCEWRRSA-N 1 3 315.458 0.557 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638198796 417373001 /nfs/dbraw/zinc/37/30/01/417373001.db2.gz FMFVQZVDXNLYBT-JYJNAYRXSA-N 1 3 304.438 0.832 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000638211105 417375562 /nfs/dbraw/zinc/37/55/62/417375562.db2.gz PKRFINNSEOZAQO-ZIAGYGMSSA-N 1 3 301.431 0.228 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638575308 417493845 /nfs/dbraw/zinc/49/38/45/417493845.db2.gz FPDLUBUIZGWLKL-OWCLPIDISA-N 1 3 304.438 0.702 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@]2(COC)CCCCN2)CC1 ZINC000638386397 417437547 /nfs/dbraw/zinc/43/75/47/417437547.db2.gz LYOCGXXBQADOKN-MRXNPFEDSA-N 1 3 313.442 0.372 20 0 DCADHO C[C@H]([NH3+])CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638438361 417457059 /nfs/dbraw/zinc/45/70/59/417457059.db2.gz BNEAMMUIIHRRMQ-STQMWFEESA-N 1 3 320.441 0.263 20 0 DCADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638670082 417529566 /nfs/dbraw/zinc/52/95/66/417529566.db2.gz CNNSIRYQEJWXSY-LRDDRELGSA-N 1 3 303.362 0.343 20 0 DCADHO CCN(CCO)CC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634719904 417534370 /nfs/dbraw/zinc/53/43/70/417534370.db2.gz BENCFCHCNBBETN-SFHVURJKSA-N 1 3 321.465 0.527 20 0 DCADHO CCN(CCO)CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719904 417534376 /nfs/dbraw/zinc/53/43/76/417534376.db2.gz BENCFCHCNBBETN-SFHVURJKSA-N 1 3 321.465 0.527 20 0 DCADHO CCN(CCO)CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719904 417534382 /nfs/dbraw/zinc/53/43/82/417534382.db2.gz BENCFCHCNBBETN-SFHVURJKSA-N 1 3 321.465 0.527 20 0 DCADHO CN1CCC(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000638785246 417556928 /nfs/dbraw/zinc/55/69/28/417556928.db2.gz SYEJRXBBZDHMAE-MRXNPFEDSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000575890725 417558313 /nfs/dbraw/zinc/55/83/13/417558313.db2.gz PIJWCDOQXBZAPE-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)CCOCC[NH2+]C)C1(C)C ZINC000638593032 417499255 /nfs/dbraw/zinc/49/92/55/417499255.db2.gz ZONOLBHLFIMQOL-DOMZBBRYSA-N 1 3 301.431 0.213 20 0 DCADHO CO[C@H]1CN[C@](C)(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000638977422 417594830 /nfs/dbraw/zinc/59/48/30/417594830.db2.gz LKEDHDMMTNNWOO-ZBFHGGJFSA-N 1 3 321.425 0.855 20 0 DCADHO C[NH+](C)CC1(C(=O)Nc2cc(N3CCNCC3)ccn2)CC1 ZINC000638983728 417595834 /nfs/dbraw/zinc/59/58/34/417595834.db2.gz NPFSLCJUXADZCU-UHFFFAOYSA-N 1 3 303.410 0.772 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)C2)cc1 ZINC000639001011 417602811 /nfs/dbraw/zinc/60/28/11/417602811.db2.gz FABXPSXYUQSXTI-SJORKVTESA-N 1 3 318.465 0.965 20 0 DCADHO COCCCN(C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455471396 417606290 /nfs/dbraw/zinc/60/62/90/417606290.db2.gz IIGWSADHHZDKOJ-GOOCMWNKSA-N 1 3 312.458 0.879 20 0 DCADHO COCCCN(C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455471396 417606295 /nfs/dbraw/zinc/60/62/95/417606295.db2.gz IIGWSADHHZDKOJ-GOOCMWNKSA-N 1 3 312.458 0.879 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030361 417608077 /nfs/dbraw/zinc/60/80/77/417608077.db2.gz UHXKBLJUQLBCMS-JYJNAYRXSA-N 1 3 304.438 0.832 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454555558 417568199 /nfs/dbraw/zinc/56/81/99/417568199.db2.gz YHHWOCGWGGRJEU-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454555558 417568203 /nfs/dbraw/zinc/56/82/03/417568203.db2.gz YHHWOCGWGGRJEU-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000576003932 417571398 /nfs/dbraw/zinc/57/13/98/417571398.db2.gz IRNOQIUCOQKXKP-LBPRGKRZSA-N 1 3 306.414 0.942 20 0 DCADHO COCCN1CC[C@@H](NC[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644554254 417618791 /nfs/dbraw/zinc/61/87/91/417618791.db2.gz VDODIANCKGAPJR-MSOLQXFVSA-N 1 3 321.465 0.790 20 0 DCADHO COCCN1CC[C@@H](NC[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644554254 417618794 /nfs/dbraw/zinc/61/87/94/417618794.db2.gz VDODIANCKGAPJR-MSOLQXFVSA-N 1 3 321.465 0.790 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000576706992 417630852 /nfs/dbraw/zinc/63/08/52/417630852.db2.gz HQWFGBPTAIRXAY-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCN1CCCOCC1 ZINC000644628548 417632395 /nfs/dbraw/zinc/63/23/95/417632395.db2.gz ZBGAQPCJRDIGOM-GOSISDBHSA-N 1 3 321.465 0.791 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCN1CCCOCC1 ZINC000644628548 417632402 /nfs/dbraw/zinc/63/24/02/417632402.db2.gz ZBGAQPCJRDIGOM-GOSISDBHSA-N 1 3 321.465 0.791 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000576715332 417633304 /nfs/dbraw/zinc/63/33/04/417633304.db2.gz KJZIBVMMKWJKNP-HIFRSBDPSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000576715332 417633312 /nfs/dbraw/zinc/63/33/12/417633312.db2.gz KJZIBVMMKWJKNP-HIFRSBDPSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000576715324 417633513 /nfs/dbraw/zinc/63/35/13/417633513.db2.gz KJZIBVMMKWJKNP-DZGCQCFKSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000576715324 417633518 /nfs/dbraw/zinc/63/35/18/417633518.db2.gz KJZIBVMMKWJKNP-DZGCQCFKSA-N 1 3 305.426 0.801 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCO1 ZINC000576822426 417639951 /nfs/dbraw/zinc/63/99/51/417639951.db2.gz UAEFETZJNGEZLM-JKSUJKDBSA-N 1 3 318.421 0.480 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCO1 ZINC000576822425 417640322 /nfs/dbraw/zinc/64/03/22/417640322.db2.gz UAEFETZJNGEZLM-HZPDHXFCSA-N 1 3 318.421 0.480 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000628753240 417687682 /nfs/dbraw/zinc/68/76/82/417687682.db2.gz XCBDZIMWJFRCCX-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000628753240 417687687 /nfs/dbraw/zinc/68/76/87/417687687.db2.gz XCBDZIMWJFRCCX-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000577054441 417659602 /nfs/dbraw/zinc/65/96/02/417659602.db2.gz MXCDKCHVJKXVIE-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CO[C@@H](C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)C1CCOCC1 ZINC000639331517 417661336 /nfs/dbraw/zinc/66/13/36/417661336.db2.gz UHHLPUOBCPDXNE-SJORKVTESA-N 1 3 312.454 0.959 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000635746348 417755246 /nfs/dbraw/zinc/75/52/46/417755246.db2.gz FBZAHKWFYSYSBV-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000635746348 417755248 /nfs/dbraw/zinc/75/52/48/417755248.db2.gz FBZAHKWFYSYSBV-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO CC[N@H+](CCNC(=O)N[C@H]1CCCN(CCCO)C1)C1CC1 ZINC000458198693 417729032 /nfs/dbraw/zinc/72/90/32/417729032.db2.gz PMPRHJNOFMCWCU-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@@H+](CCNC(=O)N[C@H]1CCCN(CCCO)C1)C1CC1 ZINC000458198693 417729038 /nfs/dbraw/zinc/72/90/38/417729038.db2.gz PMPRHJNOFMCWCU-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)C12CCC[NH+](CCC1)C2 ZINC000635976721 417822597 /nfs/dbraw/zinc/82/25/97/417822597.db2.gz MHCMTSVYIAAXKC-OAHLLOKOSA-N 1 3 309.454 0.825 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000662633202 417827962 /nfs/dbraw/zinc/82/79/62/417827962.db2.gz XPIRAJJCZBAUKM-KRWDZBQOSA-N 1 3 318.465 0.873 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000629354545 417788662 /nfs/dbraw/zinc/78/86/62/417788662.db2.gz SCCUDBZJJJZAOC-ZSHCYNCHSA-N 1 3 323.462 0.929 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000662526361 417794018 /nfs/dbraw/zinc/79/40/18/417794018.db2.gz XDRABJGGNXCTNI-UHFFFAOYSA-N 1 3 302.382 0.228 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645855791 417809731 /nfs/dbraw/zinc/80/97/31/417809731.db2.gz USWARNJHASZJRC-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000662579794 417812577 /nfs/dbraw/zinc/81/25/77/417812577.db2.gz GKUQJSMRILCLJY-AEGPPILISA-N 1 3 307.442 0.684 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000635956290 417812745 /nfs/dbraw/zinc/81/27/45/417812745.db2.gz WQOLDPSPWIYRBM-CABCVRRESA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000635956290 417812751 /nfs/dbraw/zinc/81/27/51/417812751.db2.gz WQOLDPSPWIYRBM-CABCVRRESA-N 1 3 313.442 0.134 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)C12CCC[NH+](CCC1)C2 ZINC000635974687 417822140 /nfs/dbraw/zinc/82/21/40/417822140.db2.gz GILQBGGYLYIYMS-OAHLLOKOSA-N 1 3 309.454 0.825 20 0 DCADHO O=C(NCCCN1CCC(O)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662681249 417848712 /nfs/dbraw/zinc/84/87/12/417848712.db2.gz XICHXGVPMIKAKN-ZDUSSCGKSA-N 1 3 323.359 0.491 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652154874 417854313 /nfs/dbraw/zinc/85/43/13/417854313.db2.gz QLCGHTUEVJNPGU-RBSFLKMASA-N 1 3 310.442 0.476 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000662703479 417861496 /nfs/dbraw/zinc/86/14/96/417861496.db2.gz KHAQPTQYJMAGCY-STQMWFEESA-N 1 3 306.414 0.417 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662708618 417864088 /nfs/dbraw/zinc/86/40/88/417864088.db2.gz NWPTZIGUPFTLFJ-OWCLPIDISA-N 1 3 307.438 0.887 20 0 DCADHO CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000662720217 417871149 /nfs/dbraw/zinc/87/11/49/417871149.db2.gz WFLFMCYGHJPRHP-WCQYABFASA-N 1 3 303.410 0.795 20 0 DCADHO CC[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015404 417977277 /nfs/dbraw/zinc/97/72/77/417977277.db2.gz VCTUTNMSZDYMAX-STQMWFEESA-N 1 3 320.441 0.263 20 0 DCADHO N[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C[C@H]1c1ccccc1F ZINC000662814682 417914651 /nfs/dbraw/zinc/91/46/51/417914651.db2.gz FXRHZWKYTDLCGA-VIRABCJISA-N 1 3 307.369 0.443 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662837251 417920892 /nfs/dbraw/zinc/92/08/92/417920892.db2.gz HRAYKEFBWOGOGJ-KKUMJFAQSA-N 1 3 322.453 0.378 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000652547483 417928775 /nfs/dbraw/zinc/92/87/75/417928775.db2.gz KMTFCWIICMGMKA-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000652547483 417928777 /nfs/dbraw/zinc/92/87/77/417928777.db2.gz KMTFCWIICMGMKA-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)c1cc(C(C)(C)N)no1 ZINC000662857527 417929222 /nfs/dbraw/zinc/92/92/22/417929222.db2.gz NRDNCTXCKIGYFI-UHFFFAOYSA-N 1 3 311.430 0.482 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652682797 417943948 /nfs/dbraw/zinc/94/39/48/417943948.db2.gz VIWQIOMWJKPFAJ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000652687476 417944196 /nfs/dbraw/zinc/94/41/96/417944196.db2.gz CXRWFTYJUIBKAY-OAHLLOKOSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652701962 417949319 /nfs/dbraw/zinc/94/93/19/417949319.db2.gz MMBRBWDBBZXMOV-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)NCCN1CC[C@H](O)C1)c1ccccc1 ZINC000636456126 417950356 /nfs/dbraw/zinc/95/03/56/417950356.db2.gz RBRWPRPDTGBKAL-JKSUJKDBSA-N 1 3 320.437 0.655 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000662930443 417954746 /nfs/dbraw/zinc/95/47/46/417954746.db2.gz QMUHFVREKUZHQH-ZDUSSCGKSA-N 1 3 310.442 0.269 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000662930589 417955574 /nfs/dbraw/zinc/95/55/74/417955574.db2.gz RYGXTFNHNNTIBS-XOYHFGRZSA-N 1 3 320.437 0.023 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723793 417956492 /nfs/dbraw/zinc/95/64/92/417956492.db2.gz LUSKBIOCRSLWJT-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725633 417957364 /nfs/dbraw/zinc/95/73/64/417957364.db2.gz OPPTWRHCBNHSFA-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000662974010 417969098 /nfs/dbraw/zinc/96/90/98/417969098.db2.gz YKFCSEMAXPDOMW-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@H](CN)C1 ZINC000662985358 417972290 /nfs/dbraw/zinc/97/22/90/417972290.db2.gz UWACQALTPFUNOL-KEYYUXOJSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H](CN)C1 ZINC000662985358 417972292 /nfs/dbraw/zinc/97/22/92/417972292.db2.gz UWACQALTPFUNOL-KEYYUXOJSA-N 1 3 322.453 0.126 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000647517364 418017797 /nfs/dbraw/zinc/01/77/97/418017797.db2.gz HKBMYYCNKNFWAG-ROUUACIJSA-N 1 3 321.465 0.526 20 0 DCADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)COc1ccccc1 ZINC000647517971 418018538 /nfs/dbraw/zinc/01/85/38/418018538.db2.gz YDQUHOPIFODGLZ-INIZCTEOSA-N 1 3 308.422 0.863 20 0 DCADHO C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653105792 418026582 /nfs/dbraw/zinc/02/65/82/418026582.db2.gz JVSQHJCYTXQCTN-CVEARBPZSA-N 1 3 304.438 0.656 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC000663493950 418026853 /nfs/dbraw/zinc/02/68/53/418026853.db2.gz FEFGKQANWZGYQH-NSHDSACASA-N 1 3 323.466 0.076 20 0 DCADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCOC4(CNC4)C3)cc21 ZINC000663492943 418027763 /nfs/dbraw/zinc/02/77/63/418027763.db2.gz WDCZRNQEMQNTOL-HNNXBMFYSA-N 1 3 315.417 0.880 20 0 DCADHO N[C@@H]1CN(C(=O)NCCC[NH2+]Cc2cccnc2)CC[C@H]1F ZINC000659514606 418109635 /nfs/dbraw/zinc/10/96/35/418109635.db2.gz LJYLZWNLPXUGIC-ZIAGYGMSSA-N 1 3 309.389 0.642 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659539704 418114505 /nfs/dbraw/zinc/11/45/05/418114505.db2.gz QUNROGXYBWMKHG-VHDGCEQUSA-N 1 3 310.442 0.537 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659555744 418117656 /nfs/dbraw/zinc/11/76/56/418117656.db2.gz SSRVFKYSPHRPMJ-BZUAXINKSA-N 1 3 318.421 0.420 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000653382673 418065736 /nfs/dbraw/zinc/06/57/36/418065736.db2.gz SHIKEASTFOMETN-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000653382673 418065738 /nfs/dbraw/zinc/06/57/38/418065738.db2.gz SHIKEASTFOMETN-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)(C)C(=O)NC[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000647884544 418069845 /nfs/dbraw/zinc/06/98/45/418069845.db2.gz DDHJVOJNWLBDNZ-OAHLLOKOSA-N 1 3 310.486 0.766 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000647889319 418070562 /nfs/dbraw/zinc/07/05/62/418070562.db2.gz FWPICFLLESJLGK-ROUUACIJSA-N 1 3 322.449 0.781 20 0 DCADHO C[NH+](C)C1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCC1 ZINC000659426248 418095478 /nfs/dbraw/zinc/09/54/78/418095478.db2.gz VDLAAWRUBJVDNU-UHFFFAOYSA-N 1 3 322.413 0.315 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659448385 418098452 /nfs/dbraw/zinc/09/84/52/418098452.db2.gz PONJSFOZFHIGFY-UHFFFAOYSA-N 1 3 322.413 0.172 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000659601367 418123672 /nfs/dbraw/zinc/12/36/72/418123672.db2.gz YTDQPAVSGXSCJM-HOCLYGCPSA-N 1 3 323.485 0.678 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000659601367 418123676 /nfs/dbraw/zinc/12/36/76/418123676.db2.gz YTDQPAVSGXSCJM-HOCLYGCPSA-N 1 3 323.485 0.678 20 0 DCADHO CN(CC[NH3+])C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659567726 418119697 /nfs/dbraw/zinc/11/96/97/418119697.db2.gz YLBPGORYLNXWOA-UHFFFAOYSA-N 1 3 305.426 0.894 20 0 DCADHO [NH3+]C1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000659575611 418121199 /nfs/dbraw/zinc/12/11/99/418121199.db2.gz RAFQSBLMLXJWDQ-CQSZACIVSA-N 1 3 310.442 0.810 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H]1O ZINC000664662492 418143507 /nfs/dbraw/zinc/14/35/07/418143507.db2.gz LXWIZYCNKXVVDI-KBPBESRZSA-N 1 3 312.458 0.425 20 0 DCADHO CCC[N@H+](C)CC(C)(C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000664718295 418147446 /nfs/dbraw/zinc/14/74/46/418147446.db2.gz BYAYSGRANKQPLS-ZDUSSCGKSA-N 1 3 300.447 0.323 20 0 DCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000664718295 418147448 /nfs/dbraw/zinc/14/74/48/418147448.db2.gz BYAYSGRANKQPLS-ZDUSSCGKSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659697470 418150444 /nfs/dbraw/zinc/15/04/44/418150444.db2.gz HUJQREWPUNJRSZ-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659707111 418154677 /nfs/dbraw/zinc/15/46/77/418154677.db2.gz ADLYSHDFQWLFQH-JZLYGMAVSA-N 1 3 322.453 0.091 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659713323 418158500 /nfs/dbraw/zinc/15/85/00/418158500.db2.gz PAODPKXVZCBWJB-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1)C1CC1 ZINC000659714036 418158799 /nfs/dbraw/zinc/15/87/99/418158799.db2.gz IFEYTXSQAIWCAG-HIFRSBDPSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659717757 418160697 /nfs/dbraw/zinc/16/06/97/418160697.db2.gz KMOVUOUNQBHZTG-OLZOCXBDSA-N 1 3 310.442 0.363 20 0 DCADHO NC[C@@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000659718311 418160740 /nfs/dbraw/zinc/16/07/40/418160740.db2.gz OVOUZGHAUWWYGJ-OAHLLOKOSA-N 1 3 322.453 0.078 20 0 DCADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659720457 418161929 /nfs/dbraw/zinc/16/19/29/418161929.db2.gz SXPWPPBNBWXZDL-GFCCVEGCSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC[NH2+]1 ZINC000659723496 418164238 /nfs/dbraw/zinc/16/42/38/418164238.db2.gz RHPDZAIZMMLWKT-UPJWGTAASA-N 1 3 310.442 0.232 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000659726188 418165331 /nfs/dbraw/zinc/16/53/31/418165331.db2.gz HWLFVQFFUPTXAT-YXXKGXSTSA-N 1 3 320.437 0.069 20 0 DCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659734642 418168519 /nfs/dbraw/zinc/16/85/19/418168519.db2.gz ARGUOYMSURAVAN-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659737791 418170347 /nfs/dbraw/zinc/17/03/47/418170347.db2.gz VPJXJAUHELELEY-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000659739714 418171993 /nfs/dbraw/zinc/17/19/93/418171993.db2.gz YKJMVGTTXMCYJL-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCC[C@@H](C)C1 ZINC000659741300 418172354 /nfs/dbraw/zinc/17/23/54/418172354.db2.gz JEUUMBCPYOCVHN-GXZXJKLZSA-N 1 3 322.453 0.091 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351166 418247470 /nfs/dbraw/zinc/24/74/70/418247470.db2.gz WPXRAXRCIVDCNG-CYBMUJFWSA-N 1 3 318.412 0.375 20 0 DCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649071700 418190769 /nfs/dbraw/zinc/19/07/69/418190769.db2.gz PMRWWQTVTWNPHX-CHWSQXEVSA-N 1 3 312.458 0.732 20 0 DCADHO COCC1(C(=O)N2C[C@@H](N)Cc3ccccc32)CC[NH2+]CC1 ZINC000649267299 418215573 /nfs/dbraw/zinc/21/55/73/418215573.db2.gz KWFBAXHGVCVMCL-AWEZNQCLSA-N 1 3 303.406 0.919 20 0 DCADHO COCC1(C(=O)N2C[C@H](N)Cc3ccccc32)CC[NH2+]CC1 ZINC000649267300 418215651 /nfs/dbraw/zinc/21/56/51/418215651.db2.gz KWFBAXHGVCVMCL-CQSZACIVSA-N 1 3 303.406 0.919 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649318740 418235214 /nfs/dbraw/zinc/23/52/14/418235214.db2.gz HBMAXVMKINQFQB-NEPJUHHUSA-N 1 3 305.369 0.458 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022178 418318553 /nfs/dbraw/zinc/31/85/53/418318553.db2.gz UIAHCRHUHOTMLU-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000655577643 418278483 /nfs/dbraw/zinc/27/84/83/418278483.db2.gz YDXGEWPQLBNQRW-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000655577643 418278486 /nfs/dbraw/zinc/27/84/86/418278486.db2.gz YDXGEWPQLBNQRW-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660663680 418279645 /nfs/dbraw/zinc/27/96/45/418279645.db2.gz OYOFQZRZHOLVDJ-XHSDSOJGSA-N 1 3 300.443 0.817 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660663680 418279648 /nfs/dbraw/zinc/27/96/48/418279648.db2.gz OYOFQZRZHOLVDJ-XHSDSOJGSA-N 1 3 300.443 0.817 20 0 DCADHO NC(=O)CNC(=O)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656197513 418335218 /nfs/dbraw/zinc/33/52/18/418335218.db2.gz PJHGRPXHCUYJTK-KBPBESRZSA-N 1 3 304.394 0.261 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000651193245 418353364 /nfs/dbraw/zinc/35/33/64/418353364.db2.gz QCHCIXGQAXMOSM-UHFFFAOYSA-N 1 3 314.474 0.720 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000651193245 418353366 /nfs/dbraw/zinc/35/33/66/418353366.db2.gz QCHCIXGQAXMOSM-UHFFFAOYSA-N 1 3 314.474 0.720 20 0 DCADHO [NH3+]C1(CNC2CCN(CCN3CCOCC3)CC2)CCCC1 ZINC000656789001 418376457 /nfs/dbraw/zinc/37/64/57/418376457.db2.gz HTXFKNGIABPMLZ-UHFFFAOYSA-N 1 3 310.486 0.644 20 0 DCADHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1cc(F)cc(F)c1 ZINC000662287254 418396918 /nfs/dbraw/zinc/39/69/18/418396918.db2.gz WYXDTDRJJGVCMU-UHFFFAOYSA-N 1 3 313.348 0.998 20 0 DCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662398439 418407476 /nfs/dbraw/zinc/40/74/76/418407476.db2.gz SDXRTKGJPGMESZ-AWEZNQCLSA-N 1 3 316.409 0.140 20 0 DCADHO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[C@@H](N2CCCC2)C1 ZINC000662439016 418409855 /nfs/dbraw/zinc/40/98/55/418409855.db2.gz GKNUXLCWJUPUBO-QWHCGFSZSA-N 1 3 303.410 0.797 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662386743 418405768 /nfs/dbraw/zinc/40/57/68/418405768.db2.gz GMRZYXPMOYHLPP-QWHCGFSZSA-N 1 3 305.426 0.948 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)NCCOCC[NH+](C)C ZINC000471643645 287518547 /nfs/dbraw/zinc/51/85/47/287518547.db2.gz JSSKKOIYMSMPRS-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO Cn1c(CN2CCC(CCC[NH+](C)C)CC2)cc(=O)n(C)c1=O ZINC000179697402 261113869 /nfs/dbraw/zinc/11/38/69/261113869.db2.gz JLIYDLRANKZQQA-UHFFFAOYSA-N 1 3 322.453 0.638 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000187257755 261122748 /nfs/dbraw/zinc/12/27/48/261122748.db2.gz VQLMZMBLOSUZCR-OAHLLOKOSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000187257755 261122749 /nfs/dbraw/zinc/12/27/49/261122749.db2.gz VQLMZMBLOSUZCR-OAHLLOKOSA-N 1 3 314.474 0.720 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237018678 261156915 /nfs/dbraw/zinc/15/69/15/261156915.db2.gz RHFXSPHMPPZJBA-BBRMVZONSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354671421 261254903 /nfs/dbraw/zinc/25/49/03/261254903.db2.gz JQPPQHUREPPCNK-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000362565828 262047720 /nfs/dbraw/zinc/04/77/20/262047720.db2.gz CZGRHTQUHAJONU-DGCLKSJQSA-N 1 3 303.410 0.795 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000362764146 262068988 /nfs/dbraw/zinc/06/89/88/262068988.db2.gz ZGQQUPRZBPZRAZ-ZFWWWQNUSA-N 1 3 324.469 0.101 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000362764146 262068990 /nfs/dbraw/zinc/06/89/90/262068990.db2.gz ZGQQUPRZBPZRAZ-ZFWWWQNUSA-N 1 3 324.469 0.101 20 0 DCADHO CN(C)[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000416854740 262241675 /nfs/dbraw/zinc/24/16/75/262241675.db2.gz VHGYNRFCFISGLQ-JKSUJKDBSA-N 1 3 320.437 0.528 20 0 DCADHO CN(C)CCN1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000416972921 262242468 /nfs/dbraw/zinc/24/24/68/262242468.db2.gz JDILCBVOJQCZNL-UHFFFAOYSA-N 1 3 311.474 0.454 20 0 DCADHO CO[C@H]1CCN(C(=O)NCCN2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000417015073 262243210 /nfs/dbraw/zinc/24/32/10/262243210.db2.gz LYMURTJRUVXCHP-GJZGRUSLSA-N 1 3 312.458 0.866 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417087322 262245408 /nfs/dbraw/zinc/24/54/08/262245408.db2.gz FDQIBLUNWSOQTB-HNNXBMFYSA-N 1 3 300.447 0.644 20 0 DCADHO CN(CCNC(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000417226788 262247787 /nfs/dbraw/zinc/24/77/87/262247787.db2.gz AVRJFXTWSKWVMG-MRXNPFEDSA-N 1 3 320.437 0.796 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417302540 262250013 /nfs/dbraw/zinc/25/00/13/262250013.db2.gz WVBZDMHMROWIEI-KGLIPLIRSA-N 1 3 312.458 0.866 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417438960 262252213 /nfs/dbraw/zinc/25/22/13/262252213.db2.gz KJNHTYUXXOVOQO-INIZCTEOSA-N 1 3 320.437 0.751 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417753270 262260540 /nfs/dbraw/zinc/26/05/40/262260540.db2.gz NZMSODNFYHSZMR-ZIAGYGMSSA-N 1 3 300.447 0.581 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000417814084 262262667 /nfs/dbraw/zinc/26/26/67/262262667.db2.gz ROQPQEORCOXBAN-HNNXBMFYSA-N 1 3 312.458 0.927 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417817574 262262748 /nfs/dbraw/zinc/26/27/48/262262748.db2.gz VYVXRSPHILTIQI-UHFFFAOYSA-N 1 3 300.447 0.912 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417988247 262267151 /nfs/dbraw/zinc/26/71/51/262267151.db2.gz ILTJWLMLZHTPRQ-XJKSGUPXSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CC[NH3+])CCO ZINC000418009553 262267712 /nfs/dbraw/zinc/26/77/12/262267712.db2.gz ILIOHTOTGDPTGK-HOCLYGCPSA-N 1 3 320.437 0.470 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418192730 262272185 /nfs/dbraw/zinc/27/21/85/262272185.db2.gz MQRPSYANDUCWLH-AWEZNQCLSA-N 1 3 321.425 0.559 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418189678 262272227 /nfs/dbraw/zinc/27/22/27/262272227.db2.gz IDYMRYAKCJKYTR-ZDUSSCGKSA-N 1 3 309.414 0.559 20 0 DCADHO N[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418291711 262273679 /nfs/dbraw/zinc/27/36/79/262273679.db2.gz WSLUGRVJQOUZCF-OAHLLOKOSA-N 1 3 305.426 0.281 20 0 DCADHO NC[C@@H](NC(=O)N(CC[NH3+])CCO)c1ccc2ccccc2c1 ZINC000418498132 262279264 /nfs/dbraw/zinc/27/92/64/262279264.db2.gz JIUSVWVDRMOTCP-MRXNPFEDSA-N 1 3 316.405 0.802 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[NH2+]CCOC ZINC000418504573 262279444 /nfs/dbraw/zinc/27/94/44/262279444.db2.gz BYSABJKPFGUZPJ-HNNXBMFYSA-N 1 3 308.426 0.784 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418500816 262279685 /nfs/dbraw/zinc/27/96/85/262279685.db2.gz ZLCDJMPXCXZFNF-WMLDXEAASA-N 1 3 320.437 0.517 20 0 DCADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418770815 262288356 /nfs/dbraw/zinc/28/83/56/262288356.db2.gz VCEGYYHRQNPRQG-HNNXBMFYSA-N 1 3 311.474 0.407 20 0 DCADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418783327 262289719 /nfs/dbraw/zinc/28/97/19/262289719.db2.gz FZAAEXOUNAFKND-HNNXBMFYSA-N 1 3 312.458 0.882 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419017671 262305642 /nfs/dbraw/zinc/30/56/42/262305642.db2.gz BFTXCLNTMUGDFJ-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419080690 262307466 /nfs/dbraw/zinc/30/74/66/262307466.db2.gz PZCWZGPBJYNVEU-OAHLLOKOSA-N 1 3 322.453 0.403 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419126470 262310872 /nfs/dbraw/zinc/31/08/72/262310872.db2.gz WYLFQCKCXGKROW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419123445 262310967 /nfs/dbraw/zinc/31/09/67/262310967.db2.gz PKNYURVFSQRDJF-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCN)CC1 ZINC000419155816 262313964 /nfs/dbraw/zinc/31/39/64/262313964.db2.gz RXBXCWBZUMOIIA-UHFFFAOYSA-N 1 3 312.458 0.278 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419228304 262321132 /nfs/dbraw/zinc/32/11/32/262321132.db2.gz MCDYDNFGZYAWHG-CABCVRRESA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419419052 262332564 /nfs/dbraw/zinc/33/25/64/262332564.db2.gz YTOZCSOOIKBVEZ-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419429465 262333273 /nfs/dbraw/zinc/33/32/73/262333273.db2.gz UUZZLTIIFDLRCG-CJNGLKHVSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419426252 262333312 /nfs/dbraw/zinc/33/33/12/262333312.db2.gz QOFQPVKONJZKMA-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419480448 262333858 /nfs/dbraw/zinc/33/38/58/262333858.db2.gz NIPJDRHLULDUEB-HIFRSBDPSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419480448 262333859 /nfs/dbraw/zinc/33/38/59/262333859.db2.gz NIPJDRHLULDUEB-HIFRSBDPSA-N 1 3 324.469 0.611 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419587747 262338810 /nfs/dbraw/zinc/33/88/10/262338810.db2.gz NTAZAISRUCSORZ-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419595114 262339624 /nfs/dbraw/zinc/33/96/24/262339624.db2.gz VYZFXPYGHBPARF-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419595103 262339751 /nfs/dbraw/zinc/33/97/51/262339751.db2.gz VVPSQPGYXZYZSC-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NCC[NH3+])c1ccccc1 ZINC000419645276 262343785 /nfs/dbraw/zinc/34/37/85/262343785.db2.gz IGEPDJQFEUAPNO-LBPRGKRZSA-N 1 3 306.410 0.307 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419691564 262345690 /nfs/dbraw/zinc/34/56/90/262345690.db2.gz FAAKXQJZTDQOEB-TZMCWYRMSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000419695679 262346474 /nfs/dbraw/zinc/34/64/74/262346474.db2.gz LIGSABLNNWTFND-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419697119 262346783 /nfs/dbraw/zinc/34/67/83/262346783.db2.gz NVUMLVRTRWBWMO-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419875059 262351261 /nfs/dbraw/zinc/35/12/61/262351261.db2.gz OCMQYFTYLFBBFJ-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419962911 262353721 /nfs/dbraw/zinc/35/37/21/262353721.db2.gz HIOSCVSZJGAFTQ-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419989114 262355533 /nfs/dbraw/zinc/35/55/33/262355533.db2.gz YUXLYMFCJZPKSW-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420000052 262357269 /nfs/dbraw/zinc/35/72/69/262357269.db2.gz PCMXJGHJPZKWPD-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420079410 262360365 /nfs/dbraw/zinc/36/03/65/262360365.db2.gz HWWDBLOJNVEELP-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159031 262364709 /nfs/dbraw/zinc/36/47/09/262364709.db2.gz HOOKBBWBOKFIJB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420163770 262365253 /nfs/dbraw/zinc/36/52/53/262365253.db2.gz KTIUQIIHIIGVDZ-UHFFFAOYSA-N 1 3 322.453 0.355 20 0 DCADHO CN1CCN(C(=O)CCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000420408981 262373769 /nfs/dbraw/zinc/37/37/69/262373769.db2.gz WOXAQXJPNTWDSQ-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422139715 262398777 /nfs/dbraw/zinc/39/87/77/262398777.db2.gz NRQWRIFRHBQJEA-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422139715 262398778 /nfs/dbraw/zinc/39/87/78/262398778.db2.gz NRQWRIFRHBQJEA-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422630673 262420965 /nfs/dbraw/zinc/42/09/65/262420965.db2.gz ZFHSEBKWRPPSMZ-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000423213688 262433540 /nfs/dbraw/zinc/43/35/40/262433540.db2.gz NPMQPUAPKPDQLV-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424229583 262485940 /nfs/dbraw/zinc/48/59/40/262485940.db2.gz XPZPJYRKZZKRGA-XQLPTFJDSA-N 1 3 305.426 0.307 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCC1 ZINC000514882653 287646741 /nfs/dbraw/zinc/64/67/41/287646741.db2.gz YOGUQFIXMVXZHE-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](CNC(=O)[C@H](C)[C@H](C)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000358641055 271060566 /nfs/dbraw/zinc/06/05/66/271060566.db2.gz ZJGCKSQOYDAISP-KPWCQOOUSA-N 1 3 314.474 0.391 20 0 DCADHO C[C@H](CNC(=O)[C@H](C)[C@H](C)C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000358641055 271060568 /nfs/dbraw/zinc/06/05/68/271060568.db2.gz ZJGCKSQOYDAISP-KPWCQOOUSA-N 1 3 314.474 0.391 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000418732364 271253375 /nfs/dbraw/zinc/25/33/75/271253375.db2.gz UNNYGFWWHYIPNN-ZNMIVQPWSA-N 1 3 312.458 0.650 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419028835 271268222 /nfs/dbraw/zinc/26/82/22/271268222.db2.gz QNXFSYYOQSVIHF-LXTVHRRPSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419031360 271268344 /nfs/dbraw/zinc/26/83/44/271268344.db2.gz VGXBUXNERFYMIV-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419402286 271288257 /nfs/dbraw/zinc/28/82/57/271288257.db2.gz CDIZKGMPFGULMP-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419403469 271288412 /nfs/dbraw/zinc/28/84/12/271288412.db2.gz DYFGAWXFJQAOGH-GJZGRUSLSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000419402626 271289240 /nfs/dbraw/zinc/28/92/40/271289240.db2.gz CNRJHGOWFFWOAE-CYBMUJFWSA-N 1 3 312.458 0.278 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419578528 271309157 /nfs/dbraw/zinc/30/91/57/271309157.db2.gz DZRBDMMMIHTJDP-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419584419 271311343 /nfs/dbraw/zinc/31/13/43/271311343.db2.gz KUSVKQPBSOAUOX-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000419583263 271311509 /nfs/dbraw/zinc/31/15/09/271311509.db2.gz KBLFDWLMNKMSSM-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000419581958 271311742 /nfs/dbraw/zinc/31/17/42/271311742.db2.gz IWKVROJCTOKWKO-BZPMIXESSA-N 1 3 310.442 0.219 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419582786 271311900 /nfs/dbraw/zinc/31/19/00/271311900.db2.gz JPIHLKAVCBVXPS-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO [NH3+]CCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419667139 271319315 /nfs/dbraw/zinc/31/93/15/271319315.db2.gz AZBFNGLLUKGBRR-UHFFFAOYSA-N 1 3 310.442 0.224 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N1CCCC[C@@H]1CN)[NH+]1CCCCC1 ZINC000419706603 271323845 /nfs/dbraw/zinc/32/38/45/271323845.db2.gz CSOXDOAZCSJODS-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419931675 271344071 /nfs/dbraw/zinc/34/40/71/271344071.db2.gz DBQLPALRMYMFKM-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NCC1C[NH2+]C1 ZINC000419958734 271350865 /nfs/dbraw/zinc/35/08/65/271350865.db2.gz WITRSCRGUGUBAK-UHFFFAOYSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420172293 271362849 /nfs/dbraw/zinc/36/28/49/271362849.db2.gz VMXRNKIMYLAPDR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000422780049 271384251 /nfs/dbraw/zinc/38/42/51/271384251.db2.gz GRGSJHHIOLDFIZ-STQMWFEESA-N 1 3 308.426 0.958 20 0 DCADHO NC[C@H]1CCC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000422780041 271385615 /nfs/dbraw/zinc/38/56/15/271385615.db2.gz GRGSJHHIOLDFIZ-CHWSQXEVSA-N 1 3 308.426 0.958 20 0 DCADHO CC(=O)N1CCN(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422866934 271390518 /nfs/dbraw/zinc/39/05/18/271390518.db2.gz RECPRNMNPMMYFJ-GVDBMIGSSA-N 1 3 308.470 0.661 20 0 DCADHO CN(C)[C@@]1(CNC(=O)C[C@H]2CSCC[NH2+]2)CCSC1 ZINC000434870724 271548176 /nfs/dbraw/zinc/54/81/76/271548176.db2.gz TVYPRIKZLDDDOO-WCQYABFASA-N 1 3 303.497 0.635 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000459904248 272017719 /nfs/dbraw/zinc/01/77/19/272017719.db2.gz ZFBVBQRXZBLVCT-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000459904248 272017721 /nfs/dbraw/zinc/01/77/21/272017721.db2.gz ZFBVBQRXZBLVCT-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO CN(C)C/C=C\C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000492854933 272153946 /nfs/dbraw/zinc/15/39/46/272153946.db2.gz RTGYMPIJFPJJMX-FPLPWBNLSA-N 1 3 310.442 0.213 20 0 DCADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@](C)(O)CNC)C1 ZINC000496679395 272334306 /nfs/dbraw/zinc/33/43/06/272334306.db2.gz RYUSBJGJRHACNG-VNHYZAJKSA-N 1 3 301.431 0.803 20 0 DCADHO CCOC(=O)N1CCC[C@H]([C@@H](C)NC[C@](C)(O)C[NH2+]C)C1 ZINC000496679395 272334307 /nfs/dbraw/zinc/33/43/07/272334307.db2.gz RYUSBJGJRHACNG-VNHYZAJKSA-N 1 3 301.431 0.803 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCN1CC[NH2+]CC1)N1CCCCC1 ZINC000236660853 275978015 /nfs/dbraw/zinc/97/80/15/275978015.db2.gz KJYWUCOUUUKCSH-INIZCTEOSA-N 1 3 310.486 0.908 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000261895947 277869254 /nfs/dbraw/zinc/86/92/54/277869254.db2.gz RAWIFDDFNSQMBA-NWDGAFQWSA-N 1 3 324.391 0.525 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H](C)O1 ZINC000364260295 277888735 /nfs/dbraw/zinc/88/87/35/277888735.db2.gz VFAHXIPFRYGVEC-UMVBOHGHSA-N 1 3 301.406 0.694 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC1=O ZINC000247331242 279304675 /nfs/dbraw/zinc/30/46/75/279304675.db2.gz VAFZJKKYNCONLF-SOUVJXGZSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340496774 279306487 /nfs/dbraw/zinc/30/64/87/279306487.db2.gz GXLZFVVZOCTUNF-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340496774 279306488 /nfs/dbraw/zinc/30/64/88/279306488.db2.gz GXLZFVVZOCTUNF-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351687852 279307890 /nfs/dbraw/zinc/30/78/90/279307890.db2.gz WRDRLTXCNOWMEJ-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000548333363 288132735 /nfs/dbraw/zinc/13/27/35/288132735.db2.gz KVSAIOHRXHZMJH-AWEZNQCLSA-N 1 3 322.457 0.333 20 0 DCADHO CC(C)N1CCN([C@H]2CC[N@H+](CCN3CCO[C@H](C)C3)C2)CC1 ZINC000548776836 288175656 /nfs/dbraw/zinc/17/56/56/288175656.db2.gz KNZGZTHAVVFXDE-MSOLQXFVSA-N 1 3 324.513 0.807 20 0 DCADHO CC(C)N1CCN([C@H]2CC[N@@H+](CCN3CCO[C@H](C)C3)C2)CC1 ZINC000548776836 288175658 /nfs/dbraw/zinc/17/56/58/288175658.db2.gz KNZGZTHAVVFXDE-MSOLQXFVSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)NCC[NH+](C)C ZINC000552310674 288272487 /nfs/dbraw/zinc/27/24/87/288272487.db2.gz GDHGMAGUSMNDML-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000331594856 288300753 /nfs/dbraw/zinc/30/07/53/288300753.db2.gz HBUHOGBEHKVJJO-YUELXQCFSA-N 1 3 322.453 0.315 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000561224246 288533599 /nfs/dbraw/zinc/53/35/99/288533599.db2.gz PEYHOJUUPQEUCK-GJZGRUSLSA-N 1 3 309.458 0.160 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000565365096 288847371 /nfs/dbraw/zinc/84/73/71/288847371.db2.gz YRCVEDHBRZCZFN-MRXNPFEDSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418832326 297396165 /nfs/dbraw/zinc/39/61/65/297396165.db2.gz JYRREMLMUKPVIR-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000570784744 332815548 /nfs/dbraw/zinc/81/55/48/332815548.db2.gz QOKHJISTJSXAPE-INIZCTEOSA-N 1 3 320.437 0.926 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000580332357 333308918 /nfs/dbraw/zinc/30/89/18/333308918.db2.gz PWZFBADHUVVXMI-DZGCQCFKSA-N 1 3 305.426 0.879 20 0 DCADHO [NH3+]CCCn1cc(C(=O)NC[C@H]2NCCc3ccccc32)nn1 ZINC000583866552 337361028 /nfs/dbraw/zinc/36/10/28/337361028.db2.gz TYOSXCRGEMVREH-CQSZACIVSA-N 1 3 314.393 0.244 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000576626908 341855617 /nfs/dbraw/zinc/85/56/17/341855617.db2.gz SJUDWZYARLJYBX-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)C(=O)NC ZINC001566550779 1160054690 /nfs/dbraw/zinc/05/46/90/1160054690.db2.gz VHVAYJXMUGYWLT-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)C(=O)NC ZINC001566550779 1160054697 /nfs/dbraw/zinc/05/46/97/1160054697.db2.gz VHVAYJXMUGYWLT-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001568931237 1160876758 /nfs/dbraw/zinc/87/67/58/1160876758.db2.gz XYXNIFVLMMYADI-ZFDPJTLLSA-N 1 3 310.442 0.115 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)CC1 ZINC000366033252 519683607 /nfs/dbraw/zinc/68/36/07/519683607.db2.gz MGJKQDZQMGJVDT-JFDDCEBESA-N 1 3 308.470 0.731 20 0 DCADHO CC1CC[NH+](CCN2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000154721593 521008700 /nfs/dbraw/zinc/00/87/00/521008700.db2.gz JIRROSFQBAKJJD-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CNCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366330094 521959936 /nfs/dbraw/zinc/95/99/36/521959936.db2.gz ZZOLSGFKNJHLSE-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000080117244 545687354 /nfs/dbraw/zinc/68/73/54/545687354.db2.gz TWAKVSQBRDEHGJ-CYBMUJFWSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000080117244 545687360 /nfs/dbraw/zinc/68/73/60/545687360.db2.gz TWAKVSQBRDEHGJ-CYBMUJFWSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000333534888 546084282 /nfs/dbraw/zinc/08/42/82/546084282.db2.gz ILGPEUUFOGDRDO-JSGCOSHPSA-N 1 3 303.410 0.818 20 0 DCADHO C[NH2+]CCN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416974878 546244137 /nfs/dbraw/zinc/24/41/37/546244137.db2.gz XUHSYQOYJWGHKU-UHFFFAOYSA-N 1 3 308.426 0.988 20 0 DCADHO COC[C@@]1(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCCCN1 ZINC000638069107 546336686 /nfs/dbraw/zinc/33/66/86/546336686.db2.gz MKIWYWVSYAAAKI-HUUCEWRRSA-N 1 3 315.483 0.699 20 0 DCADHO CN(C)[C@@]1(CNC(=O)[C@@]2(C[NH3+])CCCOC2)CCSC1 ZINC000638069716 546336844 /nfs/dbraw/zinc/33/68/44/546336844.db2.gz SLYOKPUCSKRABM-ZIAGYGMSSA-N 1 3 301.456 0.295 20 0 DCADHO CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759706 546394692 /nfs/dbraw/zinc/39/46/92/546394692.db2.gz NCOTYUHTUMLBAH-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)(C)O ZINC000665758171 546393106 /nfs/dbraw/zinc/39/31/06/546393106.db2.gz AFMXPVYHHHCZSW-QWHCGFSZSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)(C)O ZINC000665758171 546393108 /nfs/dbraw/zinc/39/31/08/546393108.db2.gz AFMXPVYHHHCZSW-QWHCGFSZSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@](C)(O)C1CC1 ZINC000665757349 546393724 /nfs/dbraw/zinc/39/37/24/546393724.db2.gz GIULADVUAJVJQD-XJKSGUPXSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@](C)(O)C1CC1 ZINC000665757349 546393727 /nfs/dbraw/zinc/39/37/27/546393727.db2.gz GIULADVUAJVJQD-XJKSGUPXSA-N 1 3 314.474 0.719 20 0 DCADHO CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759706 546394689 /nfs/dbraw/zinc/39/46/89/546394689.db2.gz NCOTYUHTUMLBAH-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@H](C)C1 ZINC000665763457 546397645 /nfs/dbraw/zinc/39/76/45/546397645.db2.gz BBPQQBUCMIARDW-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@H](C)C1 ZINC000665763457 546397649 /nfs/dbraw/zinc/39/76/49/546397649.db2.gz BBPQQBUCMIARDW-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCOC1(C)C ZINC000667223541 546573577 /nfs/dbraw/zinc/57/35/77/546573577.db2.gz OFQDXIUCMREWKD-CQSZACIVSA-N 1 3 314.474 0.936 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)[nH]1 ZINC000667811424 546656098 /nfs/dbraw/zinc/65/60/98/546656098.db2.gz LTTUOQWPISIQDF-AWEZNQCLSA-N 1 3 322.457 0.530 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)[nH]1 ZINC000667811424 546656102 /nfs/dbraw/zinc/65/61/02/546656102.db2.gz LTTUOQWPISIQDF-AWEZNQCLSA-N 1 3 322.457 0.530 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000668498104 546771235 /nfs/dbraw/zinc/77/12/35/546771235.db2.gz NMLMWWDTRBIGOV-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000668498104 546771237 /nfs/dbraw/zinc/77/12/37/546771237.db2.gz NMLMWWDTRBIGOV-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000668624779 546806000 /nfs/dbraw/zinc/80/60/00/546806000.db2.gz BESQJKHPCIRGNO-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000668933610 546884981 /nfs/dbraw/zinc/88/49/81/546884981.db2.gz IPUHOZUXICEKHR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000669491251 546978121 /nfs/dbraw/zinc/97/81/21/546978121.db2.gz RVLNJBLMCFRHMU-HOTGVXAUSA-N 1 3 321.469 0.160 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)CCSC1 ZINC000669514805 546982103 /nfs/dbraw/zinc/98/21/03/546982103.db2.gz KWWYUNJUUAHPNJ-KBPBESRZSA-N 1 3 300.472 0.804 20 0 DCADHO COC[C@@]1(CNC(=O)C2(N)Cc3ccccc3C2)CCC[NH2+]1 ZINC000669518544 546983611 /nfs/dbraw/zinc/98/36/11/546983611.db2.gz VBGBPNXZMHCVJL-INIZCTEOSA-N 1 3 303.406 0.368 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[N@@H+]1C ZINC000670435578 547087812 /nfs/dbraw/zinc/08/78/12/547087812.db2.gz CRBXYFUABPYHBS-YJNKXOJESA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[N@H+]1C ZINC000670435578 547087817 /nfs/dbraw/zinc/08/78/17/547087817.db2.gz CRBXYFUABPYHBS-YJNKXOJESA-N 1 3 322.453 0.280 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000673672362 547513417 /nfs/dbraw/zinc/51/34/17/547513417.db2.gz FUYJYGFSEHKZOL-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000674329864 547581831 /nfs/dbraw/zinc/58/18/31/547581831.db2.gz RJAINKSYMGGNEG-CYBMUJFWSA-N 1 3 310.442 0.633 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000674329864 547581835 /nfs/dbraw/zinc/58/18/35/547581835.db2.gz RJAINKSYMGGNEG-CYBMUJFWSA-N 1 3 310.442 0.633 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCCS(N)(=O)=O)[C@@H](C)C1 ZINC000682535721 548396839 /nfs/dbraw/zinc/39/68/39/548396839.db2.gz HJSCJXBTCQIUSX-UONOGXRCSA-N 1 3 321.487 0.392 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCCS(N)(=O)=O)[C@@H](C)C1 ZINC000682535721 548396837 /nfs/dbraw/zinc/39/68/37/548396837.db2.gz HJSCJXBTCQIUSX-UONOGXRCSA-N 1 3 321.487 0.392 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980232523 660897036 /nfs/dbraw/zinc/89/70/36/660897036.db2.gz QAGXPVBPSVQVEQ-BFHYXJOUSA-N 1 3 306.410 0.470 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC000980232523 660897037 /nfs/dbraw/zinc/89/70/37/660897037.db2.gz QAGXPVBPSVQVEQ-BFHYXJOUSA-N 1 3 306.410 0.470 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccnn2C)CN1C(=O)CN1CCCC1 ZINC000980799270 661013116 /nfs/dbraw/zinc/01/31/16/661013116.db2.gz GDXJAUNCQJQSFH-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCCC1 ZINC000980800320 661013311 /nfs/dbraw/zinc/01/33/11/661013311.db2.gz PJMNOLISABDKKA-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO CC1(C)C[C@@H](NCC[C@H]2CNCCS2(=O)=O)C[C@@H]([NH3+])C1 ZINC000925789648 661070360 /nfs/dbraw/zinc/07/03/60/661070360.db2.gz WJONSWRTQTUTJD-AGIUHOORSA-N 1 3 303.472 0.259 20 0 DCADHO CC1(C)C[C@@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)C[C@@H](N)C1 ZINC000925789648 661070363 /nfs/dbraw/zinc/07/03/63/661070363.db2.gz WJONSWRTQTUTJD-AGIUHOORSA-N 1 3 303.472 0.259 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023083980 657483459 /nfs/dbraw/zinc/48/34/59/657483459.db2.gz FXLPPEYCNVQNEW-MCIONIFRSA-N 1 3 320.441 0.295 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023083980 657483464 /nfs/dbraw/zinc/48/34/64/657483464.db2.gz FXLPPEYCNVQNEW-MCIONIFRSA-N 1 3 320.441 0.295 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC000970494410 657572988 /nfs/dbraw/zinc/57/29/88/657572988.db2.gz QHIFRZYWZJVBEL-DGCLKSJQSA-N 1 3 318.425 0.460 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000998726065 665513367 /nfs/dbraw/zinc/51/33/67/665513367.db2.gz YQUHBDAIILTDLS-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCc3cncc(F)c3)C2)C1 ZINC000970712317 657814636 /nfs/dbraw/zinc/81/46/36/657814636.db2.gz MFHSRMOSIXNOHQ-DZGCQCFKSA-N 1 3 306.385 0.863 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCc3cncc(F)c3)C2)C1 ZINC000970712317 657814645 /nfs/dbraw/zinc/81/46/45/657814645.db2.gz MFHSRMOSIXNOHQ-DZGCQCFKSA-N 1 3 306.385 0.863 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CN(CCCO)C1 ZINC000970716170 657821545 /nfs/dbraw/zinc/82/15/45/657821545.db2.gz OOORBDVGELMJSX-CQSZACIVSA-N 1 3 323.481 0.927 20 0 DCADHO CN1CCN(CCNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1(C)C ZINC000891881320 657871134 /nfs/dbraw/zinc/87/11/34/657871134.db2.gz VSIDUAJTTYFEAP-YOEHRIQHSA-N 1 3 323.485 0.596 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001020543403 657896004 /nfs/dbraw/zinc/89/60/04/657896004.db2.gz NWDLCMOSKGWSLE-SHTZXODSSA-N 1 3 317.437 0.864 20 0 DCADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CCO)CC[C@H]21)C1CCC1 ZINC001021604330 658102705 /nfs/dbraw/zinc/10/27/05/658102705.db2.gz BVHZRHQHOZGZGP-GOEBONIOSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21)C1CCC1 ZINC001021604330 658102710 /nfs/dbraw/zinc/10/27/10/658102710.db2.gz BVHZRHQHOZGZGP-GOEBONIOSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000892181058 658272456 /nfs/dbraw/zinc/27/24/56/658272456.db2.gz QRDMKXRFKJUNRX-HNNXBMFYSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000969947660 658283738 /nfs/dbraw/zinc/28/37/38/658283738.db2.gz FSLCFVPBQKPGCD-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000969947660 658283745 /nfs/dbraw/zinc/28/37/45/658283745.db2.gz FSLCFVPBQKPGCD-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000969947661 658284005 /nfs/dbraw/zinc/28/40/05/658284005.db2.gz FSLCFVPBQKPGCD-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000969947661 658284007 /nfs/dbraw/zinc/28/40/07/658284007.db2.gz FSLCFVPBQKPGCD-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000892189233 658288768 /nfs/dbraw/zinc/28/87/68/658288768.db2.gz LPTYZDUHJNFHAA-AWEZNQCLSA-N 1 3 310.442 0.635 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001023889572 658296414 /nfs/dbraw/zinc/29/64/14/658296414.db2.gz PWKZNYJALLPYPN-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001023888921 658297459 /nfs/dbraw/zinc/29/74/59/658297459.db2.gz FWOGFHZBORHQKK-ZFWWWQNUSA-N 1 3 320.441 0.238 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001022712246 658352411 /nfs/dbraw/zinc/35/24/11/658352411.db2.gz NKNMQSPYHMKUJS-KBXIAJHMSA-N 1 3 322.453 0.328 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCC1(C)C ZINC000926391632 658412286 /nfs/dbraw/zinc/41/22/86/658412286.db2.gz SLDPLVZEIGUAMH-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946517192 665578019 /nfs/dbraw/zinc/57/80/19/665578019.db2.gz BCFGFVALCMJIGR-XHSDSOJGSA-N 1 3 309.454 0.633 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946517192 665578021 /nfs/dbraw/zinc/57/80/21/665578021.db2.gz BCFGFVALCMJIGR-XHSDSOJGSA-N 1 3 309.454 0.633 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC000970103629 658467922 /nfs/dbraw/zinc/46/79/22/658467922.db2.gz QYMHCTPFQMBVKQ-QWHCGFSZSA-N 1 3 319.409 0.059 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC000972330034 658573430 /nfs/dbraw/zinc/57/34/30/658573430.db2.gz CYUJEZYMLMWCGE-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC000972330034 658573438 /nfs/dbraw/zinc/57/34/38/658573438.db2.gz CYUJEZYMLMWCGE-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001020929072 658591536 /nfs/dbraw/zinc/59/15/36/658591536.db2.gz UQBZEXNHJJMHRY-RBSFLKMASA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001020929072 658591541 /nfs/dbraw/zinc/59/15/41/658591541.db2.gz UQBZEXNHJJMHRY-RBSFLKMASA-N 1 3 317.437 0.864 20 0 DCADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892282053 658594064 /nfs/dbraw/zinc/59/40/64/658594064.db2.gz WOHDRTZFFNTMIB-HNNXBMFYSA-N 1 3 306.410 0.236 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001020934710 658597585 /nfs/dbraw/zinc/59/75/85/658597585.db2.gz YXEBQOKYPVUUTE-SHTZXODSSA-N 1 3 315.421 0.618 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC000999188530 665596014 /nfs/dbraw/zinc/59/60/14/665596014.db2.gz BEOMWOOBUORRAU-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC000999188530 665596015 /nfs/dbraw/zinc/59/60/15/665596015.db2.gz BEOMWOOBUORRAU-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020980228 658649596 /nfs/dbraw/zinc/64/95/96/658649596.db2.gz AIIMNVKHLTYXQH-JOCQHMNTSA-N 1 3 302.382 0.394 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892305534 658696553 /nfs/dbraw/zinc/69/65/53/658696553.db2.gz FOZNKPAGWLJIHA-DZGCQCFKSA-N 1 3 309.458 0.158 20 0 DCADHO CN1CCC[C@H](NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000891403784 658704624 /nfs/dbraw/zinc/70/46/24/658704624.db2.gz ZSVCGRWUCXUVQX-GARJFASQSA-N 1 3 308.348 0.859 20 0 DCADHO COc1cccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001021047832 658726806 /nfs/dbraw/zinc/72/68/06/658726806.db2.gz PHDBPJMSXFGEQI-BPLDGKMQSA-N 1 3 318.421 0.779 20 0 DCADHO COc1cccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001021047832 658726811 /nfs/dbraw/zinc/72/68/11/658726811.db2.gz PHDBPJMSXFGEQI-BPLDGKMQSA-N 1 3 318.421 0.779 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC000970335590 658873495 /nfs/dbraw/zinc/87/34/95/658873495.db2.gz RXUABWRXQPQMRN-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891492197 658889992 /nfs/dbraw/zinc/88/99/92/658889992.db2.gz GKMLDAKZZXOWFP-MRXNPFEDSA-N 1 3 314.474 0.971 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981137 658890756 /nfs/dbraw/zinc/89/07/56/658890756.db2.gz AKVDNRGBFXSZDE-OKILXGFUSA-N 1 3 304.394 0.816 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000891513868 658899474 /nfs/dbraw/zinc/89/94/74/658899474.db2.gz IHDPGJNTEWLDPV-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000999353448 665634565 /nfs/dbraw/zinc/63/45/65/665634565.db2.gz MNKKYJLQQDNLNG-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001025159686 659092326 /nfs/dbraw/zinc/09/23/26/659092326.db2.gz IUSCJCVSAVXLEU-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001025159686 659092328 /nfs/dbraw/zinc/09/23/28/659092328.db2.gz IUSCJCVSAVXLEU-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)CN2CCCC2)C1=O ZINC001025160341 659096928 /nfs/dbraw/zinc/09/69/28/659096928.db2.gz HVJQSKHKLCNHIB-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)CCO1 ZINC000892788767 659457797 /nfs/dbraw/zinc/45/77/97/659457797.db2.gz IGSRFJQPVXRMGF-APHBMKBZSA-N 1 3 318.421 0.459 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000892789115 659457807 /nfs/dbraw/zinc/45/78/07/659457807.db2.gz LCLXEBXLFWWPRB-OAGGEKHMSA-N 1 3 300.406 0.704 20 0 DCADHO CN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[N@H+](C)C1 ZINC000892819967 659469514 /nfs/dbraw/zinc/46/95/14/659469514.db2.gz UGWJBSGPSCBOSH-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[N@@H+](C)C1 ZINC000892819967 659469516 /nfs/dbraw/zinc/46/95/16/659469516.db2.gz UGWJBSGPSCBOSH-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCCN(C)C1 ZINC000892819967 659469518 /nfs/dbraw/zinc/46/95/18/659469518.db2.gz UGWJBSGPSCBOSH-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCCN(C)C1 ZINC000892819967 659469519 /nfs/dbraw/zinc/46/95/19/659469519.db2.gz UGWJBSGPSCBOSH-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892819829 659472220 /nfs/dbraw/zinc/47/22/20/659472220.db2.gz SKXXKFYQLDQAHH-YHUYYLMFSA-N 1 3 322.453 0.728 20 0 DCADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892819829 659472223 /nfs/dbraw/zinc/47/22/23/659472223.db2.gz SKXXKFYQLDQAHH-YHUYYLMFSA-N 1 3 322.453 0.728 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026733180 659489572 /nfs/dbraw/zinc/48/95/72/659489572.db2.gz ITOJELMNGKEOCP-GDBMZVCRSA-N 1 3 319.453 0.761 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734660 659492596 /nfs/dbraw/zinc/49/25/96/659492596.db2.gz RBTWWIYHQNDNHK-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999764948 665681138 /nfs/dbraw/zinc/68/11/38/665681138.db2.gz MGPKIZWDCMYEIX-GYMHETDLSA-N 1 3 307.438 0.839 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798871 659565283 /nfs/dbraw/zinc/56/52/83/659565283.db2.gz MWMDLLUNIBXXNC-NRKLIOEPSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798871 659565285 /nfs/dbraw/zinc/56/52/85/659565285.db2.gz MWMDLLUNIBXXNC-NRKLIOEPSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798888 659565668 /nfs/dbraw/zinc/56/56/68/659565668.db2.gz OGOUEENSTRWWEM-SBJFKYEJSA-N 1 3 311.401 0.256 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798888 659565671 /nfs/dbraw/zinc/56/56/71/659565671.db2.gz OGOUEENSTRWWEM-SBJFKYEJSA-N 1 3 311.401 0.256 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3nccn3C)C2)CC[N@@H+]1C ZINC001026851857 659607939 /nfs/dbraw/zinc/60/79/39/659607939.db2.gz HVMPGSBUZLTQNH-RBSFLKMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3nccn3C)C2)CC[N@H+]1C ZINC001026851857 659607942 /nfs/dbraw/zinc/60/79/42/659607942.db2.gz HVMPGSBUZLTQNH-RBSFLKMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999845014 665690310 /nfs/dbraw/zinc/69/03/10/665690310.db2.gz BZLFMLXKQIRODO-LRDDRELGSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)no2)C1)N(C)C ZINC001026917207 659641237 /nfs/dbraw/zinc/64/12/37/659641237.db2.gz XCNVOEQNKTYSGA-TZMCWYRMSA-N 1 3 324.425 0.962 20 0 DCADHO CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974824132 659682935 /nfs/dbraw/zinc/68/29/35/659682935.db2.gz GWEREVQYBBBSIR-YXXKGXSTSA-N 1 3 307.438 0.696 20 0 DCADHO CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974824132 659682937 /nfs/dbraw/zinc/68/29/37/659682937.db2.gz GWEREVQYBBBSIR-YXXKGXSTSA-N 1 3 307.438 0.696 20 0 DCADHO Cc1cc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC000999833426 665695919 /nfs/dbraw/zinc/69/59/19/665695919.db2.gz WZFVRJCLBYJLAB-VQCLRJIVSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1cc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC000999833426 665695920 /nfs/dbraw/zinc/69/59/20/665695920.db2.gz WZFVRJCLBYJLAB-VQCLRJIVSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1cc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC000999833421 665695938 /nfs/dbraw/zinc/69/59/38/665695938.db2.gz WZFVRJCLBYJLAB-HLIUYOAVSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1cc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC000999833421 665695939 /nfs/dbraw/zinc/69/59/39/665695939.db2.gz WZFVRJCLBYJLAB-HLIUYOAVSA-N 1 3 317.437 0.816 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999834907 665696191 /nfs/dbraw/zinc/69/61/91/665696191.db2.gz ZUQBJWSYUNJZKE-UHFFFAOYSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001027063078 659759100 /nfs/dbraw/zinc/75/91/00/659759100.db2.gz GXRAXWJLGVWTFZ-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001027063078 659759104 /nfs/dbraw/zinc/75/91/04/659759104.db2.gz GXRAXWJLGVWTFZ-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1)[NH+](C)C ZINC000999866105 665703645 /nfs/dbraw/zinc/70/36/45/665703645.db2.gz WYCWJGFQPFIHJR-XJKSGUPXSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC000999875978 665705726 /nfs/dbraw/zinc/70/57/26/665705726.db2.gz JWGVTWNNEKZKDU-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894175299 661643078 /nfs/dbraw/zinc/64/30/78/661643078.db2.gz GAXXVTPPUFIALX-FRRDWIJNSA-N 1 3 319.396 0.656 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000209881 665782147 /nfs/dbraw/zinc/78/21/47/665782147.db2.gz PQPCXFWKDPKLMD-CZUORRHYSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001000230114 665789813 /nfs/dbraw/zinc/78/98/13/665789813.db2.gz ZGBCIRHKAOWAFY-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001028983355 661916935 /nfs/dbraw/zinc/91/69/35/661916935.db2.gz BWMWKCKQOWWZOX-HIFRSBDPSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001028983355 661916937 /nfs/dbraw/zinc/91/69/37/661916937.db2.gz BWMWKCKQOWWZOX-HIFRSBDPSA-N 1 3 305.426 0.310 20 0 DCADHO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC000983715700 662011749 /nfs/dbraw/zinc/01/17/49/662011749.db2.gz IRWJTSFZYOHGCF-YHUYYLMFSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC000984803786 662316528 /nfs/dbraw/zinc/31/65/28/662316528.db2.gz JOOGXCPGKHEQAI-KBUPBQIOSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984810881 662317735 /nfs/dbraw/zinc/31/77/35/662317735.db2.gz YUQJZSKVAAAAJB-XOUADPBQSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984810881 662317738 /nfs/dbraw/zinc/31/77/38/662317738.db2.gz YUQJZSKVAAAAJB-XOUADPBQSA-N 1 3 319.453 0.602 20 0 DCADHO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985332715 662412907 /nfs/dbraw/zinc/41/29/07/662412907.db2.gz RWQAORMOTMQRCZ-HUUCEWRRSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000985332715 662412908 /nfs/dbraw/zinc/41/29/08/662412908.db2.gz RWQAORMOTMQRCZ-HUUCEWRRSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000985431937 662443635 /nfs/dbraw/zinc/44/36/35/662443635.db2.gz AXGOASXJOQNZNL-DOMZBBRYSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001000541581 665872258 /nfs/dbraw/zinc/87/22/58/665872258.db2.gz IESMPISZOGOALY-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO Cn1cc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000985792540 662513455 /nfs/dbraw/zinc/51/34/55/662513455.db2.gz NADHVOCVDTWTSV-UHFFFAOYSA-N 1 3 319.453 0.939 20 0 DCADHO Cn1cc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000985792540 662513456 /nfs/dbraw/zinc/51/34/56/662513456.db2.gz NADHVOCVDTWTSV-UHFFFAOYSA-N 1 3 319.453 0.939 20 0 DCADHO C[C@@H]1[C@H](NCCF)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000986298210 662581179 /nfs/dbraw/zinc/58/11/79/662581179.db2.gz IDLKQRJLZGBXNE-CHWSQXEVSA-N 1 3 311.405 0.607 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN(C)C1CCC1 ZINC000986352139 662585112 /nfs/dbraw/zinc/58/51/12/662585112.db2.gz GBSRFWQZBLEOIA-HIFRSBDPSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060692 662639815 /nfs/dbraw/zinc/63/98/15/662639815.db2.gz WAKOPBOWWUGBMR-JSGCOSHPSA-N 1 3 319.409 0.154 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)CN(C)C1CCC1 ZINC000988956220 662873453 /nfs/dbraw/zinc/87/34/53/662873453.db2.gz PEQLXTKIGLABRH-KBPBESRZSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989389798 662908748 /nfs/dbraw/zinc/90/87/48/662908748.db2.gz LTMFILPYNJYWKW-XJKSGUPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000989800761 662978181 /nfs/dbraw/zinc/97/81/81/662978181.db2.gz VTNPOHOJDYGUHN-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000990277331 663027958 /nfs/dbraw/zinc/02/79/58/663027958.db2.gz MNUKJHOAQOXARG-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000990276927 663028158 /nfs/dbraw/zinc/02/81/58/663028158.db2.gz KYRXVINZYHSRFX-MRXNPFEDSA-N 1 3 317.437 0.960 20 0 DCADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)ncn1 ZINC000990278433 663028452 /nfs/dbraw/zinc/02/84/52/663028452.db2.gz SERAAEPTAAQFMC-MRXNPFEDSA-N 1 3 317.437 0.960 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001030021598 663088747 /nfs/dbraw/zinc/08/87/47/663088747.db2.gz BZQKHJMAICZUMQ-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000916898 665960453 /nfs/dbraw/zinc/96/04/53/665960453.db2.gz JUNXHMAFDJCWFW-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000916898 665960456 /nfs/dbraw/zinc/96/04/56/665960456.db2.gz JUNXHMAFDJCWFW-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](C)[C@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)OC ZINC000903499113 663457008 /nfs/dbraw/zinc/45/70/08/663457008.db2.gz GOSBODFQPCFTHT-BHPKHCPMSA-N 1 3 313.442 0.607 20 0 DCADHO O=C(C1CCN(C[C@H]2CCCC[NH2+]C2)CC1)N1CCOCC1 ZINC000903719151 663474754 /nfs/dbraw/zinc/47/47/54/663474754.db2.gz WEKQZCBLWWMYJT-HNNXBMFYSA-N 1 3 309.454 0.947 20 0 DCADHO c1cnc(N[C@@H]2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nc1 ZINC000903763057 663480431 /nfs/dbraw/zinc/48/04/31/663480431.db2.gz HLSACCGGXWPQMD-IIAWOOMASA-N 1 3 303.410 0.731 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903898502 663494140 /nfs/dbraw/zinc/49/41/40/663494140.db2.gz OAUPTMAGTJMAAF-NWDGAFQWSA-N 1 3 304.385 0.207 20 0 DCADHO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000903939622 663497843 /nfs/dbraw/zinc/49/78/43/663497843.db2.gz KNMOSLVKFWPLNK-KEYYUXOJSA-N 1 3 323.437 0.459 20 0 DCADHO COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000903939622 663497846 /nfs/dbraw/zinc/49/78/46/663497846.db2.gz KNMOSLVKFWPLNK-KEYYUXOJSA-N 1 3 323.437 0.459 20 0 DCADHO COC[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000903959296 663497960 /nfs/dbraw/zinc/49/79/60/663497960.db2.gz DYNDNWPTJJWDGG-LZWOXQAQSA-N 1 3 323.441 0.734 20 0 DCADHO CN(C)C(=O)N1CCC(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903973640 663498507 /nfs/dbraw/zinc/49/85/07/663498507.db2.gz QPGFSYXUACRIFV-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO NS(=O)(=O)C[C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000904428245 663513224 /nfs/dbraw/zinc/51/32/24/663513224.db2.gz HPHXXCIDYRVORP-SNVBAGLBSA-N 1 3 315.464 0.504 20 0 DCADHO C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCS1)CN1CCN(C)CC1 ZINC000905043473 663525508 /nfs/dbraw/zinc/52/55/08/663525508.db2.gz VMQGHWUGTDWEJL-KBPBESRZSA-N 1 3 313.515 0.879 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)C1(O)CCC1 ZINC000905072528 663530553 /nfs/dbraw/zinc/53/05/53/663530553.db2.gz ARLLPQIVRDHBBA-INIZCTEOSA-N 1 3 308.422 0.993 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]1CN1CCCC1 ZINC000905334856 663549756 /nfs/dbraw/zinc/54/97/56/663549756.db2.gz JNTYGPXXTLTHIP-OAHLLOKOSA-N 1 3 315.483 0.876 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001000995767 665977478 /nfs/dbraw/zinc/97/74/78/665977478.db2.gz ZPEYLTOOOGWCMZ-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000941345590 665978384 /nfs/dbraw/zinc/97/83/84/665978384.db2.gz YFIRLUVRGWUKAV-NVXWUHKLSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCCCC1 ZINC000910958126 663958602 /nfs/dbraw/zinc/95/86/02/663958602.db2.gz MSXBOFVOJYWLAV-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911053840 663972745 /nfs/dbraw/zinc/97/27/45/663972745.db2.gz CYSZHKVEZCDXRQ-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911056420 663973319 /nfs/dbraw/zinc/97/33/19/663973319.db2.gz XDMNGXNJSIAELR-KFWWJZLASA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911161568 663995577 /nfs/dbraw/zinc/99/55/77/663995577.db2.gz LWWIBXHEIPVCGY-MCIONIFRSA-N 1 3 310.442 0.078 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911212424 664005797 /nfs/dbraw/zinc/00/57/97/664005797.db2.gz YQDDALRREASHMK-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C1=CCN(C)CC1 ZINC000911218054 664006927 /nfs/dbraw/zinc/00/69/27/664006927.db2.gz HMBUTOHCAXNJNX-UMVBOHGHSA-N 1 3 322.453 0.196 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C1=CCN(C)CC1 ZINC000911219595 664007365 /nfs/dbraw/zinc/00/73/65/664007365.db2.gz PJBCPRPIEAHWPF-GUYCJALGSA-N 1 3 320.437 0.108 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000911387960 664042905 /nfs/dbraw/zinc/04/29/05/664042905.db2.gz GKZDZFHMWYSCLY-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911443177 664053530 /nfs/dbraw/zinc/05/35/30/664053530.db2.gz QWPRLDPHHKHMJF-RHSMWYFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000911535008 664071149 /nfs/dbraw/zinc/07/11/49/664071149.db2.gz XVHHPWAURSVTHU-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000911534698 664071164 /nfs/dbraw/zinc/07/11/64/664071164.db2.gz WLRWDDMVYCLZCE-ZDUSSCGKSA-N 1 3 310.442 0.032 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564769 664082595 /nfs/dbraw/zinc/08/25/95/664082595.db2.gz WESQZSATMJVZDL-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC000911657695 664099075 /nfs/dbraw/zinc/09/90/75/664099075.db2.gz XVDVWIREQXXRKZ-OLZOCXBDSA-N 1 3 302.378 0.333 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccn2nccc2n1 ZINC000912305249 664160291 /nfs/dbraw/zinc/16/02/91/664160291.db2.gz WPCSBHQJWVNVIB-ZDUSSCGKSA-N 1 3 318.425 0.731 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccn2nccc2n1 ZINC000912305249 664160293 /nfs/dbraw/zinc/16/02/93/664160293.db2.gz WPCSBHQJWVNVIB-ZDUSSCGKSA-N 1 3 318.425 0.731 20 0 DCADHO CN(CCO)CCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000912603835 664192062 /nfs/dbraw/zinc/19/20/62/664192062.db2.gz NPOKXLCLYRVQGH-UHFFFAOYSA-N 1 3 307.438 0.787 20 0 DCADHO O=C(C1CC[NH+](C[C@H](O)CN2CCCC2)CC1)N1CCCC1 ZINC000913390958 664308610 /nfs/dbraw/zinc/30/86/10/664308610.db2.gz SQUCGEMAEDICAN-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1COC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500693 664926594 /nfs/dbraw/zinc/92/65/94/664926594.db2.gz PMURCZQNEMBSAH-BBRMVZONSA-N 1 3 324.469 0.879 20 0 DCADHO O=C(NCC1CN(C[C@H]2CCCCO2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675195 665283134 /nfs/dbraw/zinc/28/31/34/665283134.db2.gz YSFFIONXDXUQKH-SJORKVTESA-N 1 3 321.465 0.945 20 0 DCADHO CO[C@@H](C)CN1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031677265 665283558 /nfs/dbraw/zinc/28/35/58/665283558.db2.gz DJNAOEJAUQXZTH-ZDUSSCGKSA-N 1 3 323.441 0.141 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567636 666020319 /nfs/dbraw/zinc/02/03/19/666020319.db2.gz ZQUHXDNMYRKNJF-RDJZCZTQSA-N 1 3 322.497 0.813 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567636 666020320 /nfs/dbraw/zinc/02/03/20/666020320.db2.gz ZQUHXDNMYRKNJF-RDJZCZTQSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639321 666033389 /nfs/dbraw/zinc/03/33/89/666033389.db2.gz PTISPWYZPREAFF-INIZCTEOSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639321 666033393 /nfs/dbraw/zinc/03/33/93/666033393.db2.gz PTISPWYZPREAFF-INIZCTEOSA-N 1 3 322.497 0.813 20 0 DCADHO CC[NH+](CC)CCOCCNCc1c2c(nn1C)CCOC2 ZINC000921988434 666217747 /nfs/dbraw/zinc/21/77/47/666217747.db2.gz AMVPLOGBGLHTPQ-UHFFFAOYSA-N 1 3 310.442 0.941 20 0 DCADHO C[C@H](C(=O)NCCN(C)CCOCCO)[NH+]1CCCCCC1 ZINC000922125990 666261367 /nfs/dbraw/zinc/26/13/67/666261367.db2.gz XJKJYXHKBAIARP-OAHLLOKOSA-N 1 3 315.458 0.308 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](CCO)CC2)c1 ZINC001004207522 666480302 /nfs/dbraw/zinc/48/03/02/666480302.db2.gz XUBCTTJJAHUXSO-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001033093212 666500733 /nfs/dbraw/zinc/50/07/33/666500733.db2.gz YVWBLTZIVOADAT-OWCLPIDISA-N 1 3 319.453 0.756 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001033093212 666500735 /nfs/dbraw/zinc/50/07/35/666500735.db2.gz YVWBLTZIVOADAT-OWCLPIDISA-N 1 3 319.453 0.756 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779131 666651077 /nfs/dbraw/zinc/65/10/77/666651077.db2.gz HAZMMWLFNOCKLG-VVLHAWIVSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779131 666651079 /nfs/dbraw/zinc/65/10/79/666651079.db2.gz HAZMMWLFNOCKLG-VVLHAWIVSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779130 666651361 /nfs/dbraw/zinc/65/13/61/666651361.db2.gz HAZMMWLFNOCKLG-VQHPVUNQSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779130 666651363 /nfs/dbraw/zinc/65/13/63/666651363.db2.gz HAZMMWLFNOCKLG-VQHPVUNQSA-N 1 3 323.481 0.879 20 0 DCADHO CN(C(=O)c1ccccc1CC[NH+](C)C)[C@@H]1CCN(CCO)C1 ZINC001033296874 666664495 /nfs/dbraw/zinc/66/44/95/666664495.db2.gz CTGVFKKXJYNWCL-MRXNPFEDSA-N 1 3 319.449 0.929 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]([NH2+][C@H]3CCNC3=O)C(C)(C)C2)CCC1 ZINC000995887410 666719587 /nfs/dbraw/zinc/71/95/87/666719587.db2.gz OTHFMCVGYMXRJD-STQMWFEESA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C)C(N)=O ZINC000996309003 666768950 /nfs/dbraw/zinc/76/89/50/666768950.db2.gz GTPVSUUKGYHEQN-CHWSQXEVSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)CCC1 ZINC000996671332 666856486 /nfs/dbraw/zinc/85/64/86/666856486.db2.gz MMMAHOAFPYFOBA-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO [NH3+]CCCOCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000861644258 666953350 /nfs/dbraw/zinc/95/33/50/666953350.db2.gz ZYWPJVPZMXVUCK-HNNXBMFYSA-N 1 3 306.410 0.538 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CCCCC1 ZINC000861728149 666967609 /nfs/dbraw/zinc/96/76/09/666967609.db2.gz CVUSGGBZZFGLMG-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO O[C@@]1(CNCCn2cncn2)CC[N@H+](Cc2ccccc2)C1 ZINC000702627529 666976507 /nfs/dbraw/zinc/97/65/07/666976507.db2.gz DATSFKWHDPNJKY-MRXNPFEDSA-N 1 3 301.394 0.505 20 0 DCADHO O[C@@]1(CNCCn2cncn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702627529 666976509 /nfs/dbraw/zinc/97/65/09/666976509.db2.gz DATSFKWHDPNJKY-MRXNPFEDSA-N 1 3 301.394 0.505 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996995732 667061604 /nfs/dbraw/zinc/06/16/04/667061604.db2.gz PSJNMJSXCJCJOP-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996995732 667061608 /nfs/dbraw/zinc/06/16/08/667061608.db2.gz PSJNMJSXCJCJOP-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000996996892 667067700 /nfs/dbraw/zinc/06/77/00/667067700.db2.gz BIAJSXCPMBIVOX-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO [NH3+]CCCCCCCN1CCN(C(=O)N2CCNCC2)CC1 ZINC000863546802 667156056 /nfs/dbraw/zinc/15/60/56/667156056.db2.gz MODGXTYVWQRNRR-UHFFFAOYSA-N 1 3 311.474 0.538 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)CN1CCCC1)C(=O)OC(C)(C)C ZINC000863553193 667156396 /nfs/dbraw/zinc/15/63/96/667156396.db2.gz WOQQNDUBPVEBDL-CYBMUJFWSA-N 1 3 301.431 0.900 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034959305 667199000 /nfs/dbraw/zinc/19/90/00/667199000.db2.gz WTGLTEXJVNKKJZ-HIFRSBDPSA-N 1 3 320.441 0.236 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C)N(C)C ZINC001034974376 667202271 /nfs/dbraw/zinc/20/22/71/667202271.db2.gz GTXAIPLNAYHLOT-HUUCEWRRSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001034975518 667202298 /nfs/dbraw/zinc/20/22/98/667202298.db2.gz SHBVEUGOTQASKP-HZSPNIEDSA-N 1 3 310.442 0.138 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000864056152 667206995 /nfs/dbraw/zinc/20/69/95/667206995.db2.gz FLLDKWKUEAQNRV-MELADBBJSA-N 1 3 310.442 0.225 20 0 DCADHO O=C(C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1)N1CCCC1 ZINC000997307795 667244424 /nfs/dbraw/zinc/24/44/24/667244424.db2.gz VJUJEQXDRWBARA-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306333 667244506 /nfs/dbraw/zinc/24/45/06/667244506.db2.gz DLTOGMWNSYONJK-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCN(C)[C@@H]2C)C1 ZINC000925342926 667318724 /nfs/dbraw/zinc/31/87/24/667318724.db2.gz JOGRSIZWXXXUCO-UGUYLWEFSA-N 1 3 324.469 0.974 20 0 DCADHO COC(=O)CCCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711425 667389118 /nfs/dbraw/zinc/38/91/18/667389118.db2.gz KORWWMNCPSTWOS-UPJWGTAASA-N 1 3 311.382 0.197 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC2(C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC001035803398 667412564 /nfs/dbraw/zinc/41/25/64/667412564.db2.gz BYCDMCGNFHRAFA-AWEZNQCLSA-N 1 3 318.421 0.913 20 0 DCADHO COCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000884234460 667506466 /nfs/dbraw/zinc/50/64/66/667506466.db2.gz UOALFUOTFCWILP-INIZCTEOSA-N 1 3 320.437 0.736 20 0 DCADHO CC(C)COC[C@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923343467 667512312 /nfs/dbraw/zinc/51/23/12/667512312.db2.gz CMUUGDGFMNRKOZ-LSDHHAIUSA-N 1 3 315.458 0.339 20 0 DCADHO COc1ccc(CNC(CN)C[NH3+])c(Br)c1OC ZINC000923351761 667514287 /nfs/dbraw/zinc/51/42/87/667514287.db2.gz MHXSWMPXMLMKFD-UHFFFAOYSA-N 1 3 318.215 0.842 20 0 DCADHO NCC(C[NH3+])NC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923355576 667515286 /nfs/dbraw/zinc/51/52/86/667515286.db2.gz AIEDGDNQIHPNTP-KRWDZBQOSA-N 1 3 315.417 0.969 20 0 DCADHO Cc1ccc(OC[C@H](O)CN2CCC(O)(C[NH3+])CC2)c(C)c1 ZINC000923382685 667521694 /nfs/dbraw/zinc/52/16/94/667521694.db2.gz SWVJINCBFVECAR-OAHLLOKOSA-N 1 3 308.422 0.829 20 0 DCADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000868175049 667539324 /nfs/dbraw/zinc/53/93/24/667539324.db2.gz VKDZCBQCXUXIRR-XUWVNRHRSA-N 1 3 316.405 0.784 20 0 DCADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498153 667548941 /nfs/dbraw/zinc/54/89/41/667548941.db2.gz JOZANTUPFBXCTN-UTLUCORTSA-N 1 3 324.347 0.680 20 0 DCADHO c1ccc2c(c1)[C@H](C[C@H]1COCC[NH2+]1)CN2C[C@H]1CNCCO1 ZINC000923541740 667559225 /nfs/dbraw/zinc/55/92/25/667559225.db2.gz VOJOXBKTRPKMRS-OWCLPIDISA-N 1 3 317.433 0.957 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868406535 667566901 /nfs/dbraw/zinc/56/69/01/667566901.db2.gz OFDISOXTXRBLOQ-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923593130 667575324 /nfs/dbraw/zinc/57/53/24/667575324.db2.gz ITIHITDPTZOFGN-UPJWGTAASA-N 1 3 301.456 0.625 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884617357 667576189 /nfs/dbraw/zinc/57/61/89/667576189.db2.gz LGCJWEJUPWYLCC-GRDNDAEWSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923686861 667579016 /nfs/dbraw/zinc/57/90/16/667579016.db2.gz ATNAYLPNBFAJAN-CYBMUJFWSA-N 1 3 319.471 0.098 20 0 DCADHO CCCCN1CCCC[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923600631 667593508 /nfs/dbraw/zinc/59/35/08/667593508.db2.gz AGTNQNRTFYYQGR-CQSZACIVSA-N 1 3 318.487 0.381 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CCC1(C)C ZINC000884715967 667597822 /nfs/dbraw/zinc/59/78/22/667597822.db2.gz JFUQIVABMFIXAI-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000884889653 667619462 /nfs/dbraw/zinc/61/94/62/667619462.db2.gz KQJBEQSIYHBTCX-OAHLLOKOSA-N 1 3 320.437 0.083 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884910911 667622102 /nfs/dbraw/zinc/62/21/02/667622102.db2.gz GFFCTGWKVIBPPG-IHRRRGAJSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884914190 667623019 /nfs/dbraw/zinc/62/30/19/667623019.db2.gz CWXUWFTUGXPNQV-HDJSIYSDSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000885204408 667652272 /nfs/dbraw/zinc/65/22/72/667652272.db2.gz LQZUQCVMGQEYSV-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923610481 667656374 /nfs/dbraw/zinc/65/63/74/667656374.db2.gz GGVPPLPYTUHJBY-KBPBESRZSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923610481 667656378 /nfs/dbraw/zinc/65/63/78/667656378.db2.gz GGVPPLPYTUHJBY-KBPBESRZSA-N 1 3 315.483 0.874 20 0 DCADHO CN(CC[S@](C)=O)[C@H]1CC[C@H]([N@H+](C)CC[S@](C)=O)CC1 ZINC000886389351 667761431 /nfs/dbraw/zinc/76/14/31/667761431.db2.gz GRKMFAAIODSLFR-FEBSWUBLSA-N 1 3 322.540 0.918 20 0 DCADHO CN(CC[S@](C)=O)[C@H]1CC[C@H]([N@@H+](C)CC[S@](C)=O)CC1 ZINC000886389351 667761432 /nfs/dbraw/zinc/76/14/32/667761432.db2.gz GRKMFAAIODSLFR-FEBSWUBLSA-N 1 3 322.540 0.918 20 0 DCADHO O=S(=O)(NC1CC[NH+](C2CCCCC2)CC1)C1CNC1 ZINC000923624323 667770851 /nfs/dbraw/zinc/77/08/51/667770851.db2.gz CRMMHCQAJMXONS-UHFFFAOYSA-N 1 3 301.456 0.675 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870902492 667771917 /nfs/dbraw/zinc/77/19/17/667771917.db2.gz INRRUFFEJSRWDN-HRCADAONSA-N 1 3 310.486 0.894 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CC[NH2+]CC3CC3)C2)nn1 ZINC000870945664 667776788 /nfs/dbraw/zinc/77/67/88/667776788.db2.gz MDIQNNOTCWUAML-CQSZACIVSA-N 1 3 306.414 0.290 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000870982131 667781635 /nfs/dbraw/zinc/78/16/35/667781635.db2.gz XPDXHVWTJQEMID-DLBZAZTESA-N 1 3 320.481 0.755 20 0 DCADHO CN(C)CCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871813577 667852904 /nfs/dbraw/zinc/85/29/04/667852904.db2.gz UZNDVWRFEIARCN-NXEZZACHSA-N 1 3 317.377 0.337 20 0 DCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)N1CCOCC1 ZINC000887131213 667853026 /nfs/dbraw/zinc/85/30/26/667853026.db2.gz SSLJPXLYBWIJHB-OAHLLOKOSA-N 1 3 318.421 0.841 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCCCNC(=O)CC2)C1 ZINC000873215902 668065936 /nfs/dbraw/zinc/06/59/36/668065936.db2.gz GPRUKLFHBIHVOC-OAHLLOKOSA-N 1 3 324.469 0.566 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCCCNC(=O)CC2)C1 ZINC000873215902 668065938 /nfs/dbraw/zinc/06/59/38/668065938.db2.gz GPRUKLFHBIHVOC-OAHLLOKOSA-N 1 3 324.469 0.566 20 0 DCADHO COCCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)C1 ZINC000924999723 668263225 /nfs/dbraw/zinc/26/32/25/668263225.db2.gz GKJJYKRUKUCFGA-XYTVBORESA-N 1 3 311.470 0.939 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000875131224 668264681 /nfs/dbraw/zinc/26/46/81/668264681.db2.gz AKQRKCGYBUWWLQ-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCC1(C)C ZINC000875236049 668285741 /nfs/dbraw/zinc/28/57/41/668285741.db2.gz ARSPSUDPUSOFED-HUUCEWRRSA-N 1 3 324.469 0.975 20 0 DCADHO C[N@H+]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCC1(C)C ZINC000875236049 668285743 /nfs/dbraw/zinc/28/57/43/668285743.db2.gz ARSPSUDPUSOFED-HUUCEWRRSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[N@@H+]1C ZINC000925334201 668298959 /nfs/dbraw/zinc/29/89/59/668298959.db2.gz KIHXTOLKHDQTCT-DZKIICNBSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[N@H+]1C ZINC000925334201 668298961 /nfs/dbraw/zinc/29/89/61/668298961.db2.gz KIHXTOLKHDQTCT-DZKIICNBSA-N 1 3 324.469 0.974 20 0 DCADHO CC(C)S(=O)(=O)N1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925658007 668339500 /nfs/dbraw/zinc/33/95/00/668339500.db2.gz GHLLSWBSQTYPPE-GXTWGEPZSA-N 1 3 303.472 0.919 20 0 DCADHO C(CN1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)N1CCOCC1 ZINC000925768942 668346850 /nfs/dbraw/zinc/34/68/50/668346850.db2.gz MSIYAEBRYZZNSG-KTGAGVNESA-N 1 3 322.497 0.656 20 0 DCADHO Cn1ccn2c(CCN[C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)nnc2c1=O ZINC000925772169 668347565 /nfs/dbraw/zinc/34/75/65/668347565.db2.gz GJESMODLOPARMT-VXGBXAGGSA-N 1 3 318.425 0.466 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000763021990 668391761 /nfs/dbraw/zinc/39/17/61/668391761.db2.gz ZXKSUVFKZKSYOL-INIZCTEOSA-N 1 3 314.474 0.864 20 0 DCADHO Cc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nc(N)n1 ZINC000764188411 668437341 /nfs/dbraw/zinc/43/73/41/668437341.db2.gz QIGVTYQDORIVFT-OCCSQVGLSA-N 1 3 304.442 0.829 20 0 DCADHO C[NH+](C)C[C@H](N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000876709567 668493049 /nfs/dbraw/zinc/49/30/49/668493049.db2.gz VAEDVDHJNBBJCI-STQMWFEESA-N 1 3 310.467 0.890 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@H](C)O1 ZINC000876731482 668498142 /nfs/dbraw/zinc/49/81/42/668498142.db2.gz RGPGNGABRYNPFY-RNJOBUHISA-N 1 3 319.396 0.832 20 0 DCADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876739349 668499130 /nfs/dbraw/zinc/49/91/30/668499130.db2.gz DLUBPDLVNQZYIG-SJORKVTESA-N 1 3 318.465 0.556 20 0 DCADHO CN(C)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876739349 668499132 /nfs/dbraw/zinc/49/91/32/668499132.db2.gz DLUBPDLVNQZYIG-SJORKVTESA-N 1 3 318.465 0.556 20 0 DCADHO C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)CN1CCN(C)CC1 ZINC000876781885 668510349 /nfs/dbraw/zinc/51/03/49/668510349.db2.gz KSAUHUACTZSNHJ-INMHGKMJSA-N 1 3 308.470 0.518 20 0 DCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](N)CN(C)C)cc1 ZINC000876964944 668543654 /nfs/dbraw/zinc/54/36/54/668543654.db2.gz WBFSLOTVWXGECL-JYJNAYRXSA-N 1 3 320.437 0.146 20 0 DCADHO Cc1cc([C@@H](N)CC(=O)N(C)CCOCC[NH3+])cc(Cl)n1 ZINC000877057870 668558518 /nfs/dbraw/zinc/55/85/18/668558518.db2.gz QLGUPUASJIFGJU-LBPRGKRZSA-N 1 3 314.817 0.867 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000877250060 668583267 /nfs/dbraw/zinc/58/32/67/668583267.db2.gz FKEIROFDGBRERQ-KRWDZBQOSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H](NC(=O)[C@@H](N)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000877252172 668584698 /nfs/dbraw/zinc/58/46/98/668584698.db2.gz HBPNCQVWQXMSPL-PBHICJAKSA-N 1 3 318.465 0.950 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1[nH]nc2c1CNCC2 ZINC000877343382 668605705 /nfs/dbraw/zinc/60/57/05/668605705.db2.gz LQUPAZVKTFTNJU-CYBMUJFWSA-N 1 3 311.389 0.500 20 0 DCADHO CC(C)NS(=O)(=O)NCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000774381323 668832008 /nfs/dbraw/zinc/83/20/08/668832008.db2.gz LWWZBJXYQXAIBB-YHWZYXNKSA-N 1 3 304.460 0.034 20 0 DCADHO CN(CCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1cc[nH+]cc1 ZINC000779506036 668911961 /nfs/dbraw/zinc/91/19/61/668911961.db2.gz MTINCNJYQDEHTJ-CVEARBPZSA-N 1 3 318.421 0.887 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522200 669053521 /nfs/dbraw/zinc/05/35/21/669053521.db2.gz GPKNSCGPIYEJJG-WBVHZDCISA-N 1 3 307.438 0.954 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879522200 669053526 /nfs/dbraw/zinc/05/35/26/669053526.db2.gz GPKNSCGPIYEJJG-WBVHZDCISA-N 1 3 307.438 0.954 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC1 ZINC000782570922 669105996 /nfs/dbraw/zinc/10/59/96/669105996.db2.gz XBGYFQIGDJUBES-KGLIPLIRSA-N 1 3 310.442 0.633 20 0 DCADHO COCCONC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000788940894 669464093 /nfs/dbraw/zinc/46/40/93/669464093.db2.gz PSRDLBYAZAJXMX-UHFFFAOYSA-N 1 3 314.430 0.422 20 0 DCADHO CC[NH+](CC)CC[C@H](CO)NC1CCN(C(=O)OC)CC1 ZINC000883161429 669657623 /nfs/dbraw/zinc/65/76/23/669657623.db2.gz RRMDJYFFQIKZSD-CQSZACIVSA-N 1 3 301.431 0.900 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)N1CCCCC1 ZINC000793715302 669737734 /nfs/dbraw/zinc/73/77/34/669737734.db2.gz XTUFJMJNIMTAPE-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CCF ZINC001691766293 1157933459 /nfs/dbraw/zinc/93/34/59/1157933459.db2.gz SZANMMHWLQGUDB-RBSFLKMASA-N 1 3 317.449 0.995 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccn(C)n1 ZINC000853935349 670506854 /nfs/dbraw/zinc/50/68/54/670506854.db2.gz YSEXNVRABLCXKQ-ZDUSSCGKSA-N 1 3 310.446 0.491 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccn(C)n1 ZINC000853935349 670506857 /nfs/dbraw/zinc/50/68/57/670506857.db2.gz YSEXNVRABLCXKQ-ZDUSSCGKSA-N 1 3 310.446 0.491 20 0 DCADHO CC(C)c1nc(CNC(=[NH2+])NCCCN2CCOCC2)n[nH]1 ZINC000849035043 670752682 /nfs/dbraw/zinc/75/26/82/670752682.db2.gz OCWSAVGOVUMYDO-UHFFFAOYSA-N 1 3 309.418 0.264 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000849044007 670754585 /nfs/dbraw/zinc/75/45/85/670754585.db2.gz PNBUFLDCIKKASK-MGPQQGTHSA-N 1 3 309.458 0.876 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000857112477 670885100 /nfs/dbraw/zinc/88/51/00/670885100.db2.gz MMTUKKUEHDPVKB-YOEHRIQHSA-N 1 3 320.437 0.660 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000857112476 670885770 /nfs/dbraw/zinc/88/57/70/670885770.db2.gz MMTUKKUEHDPVKB-WMLDXEAASA-N 1 3 320.437 0.660 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000851663951 671007260 /nfs/dbraw/zinc/00/72/60/671007260.db2.gz NQPBNDBAVGUWPT-ZDUSSCGKSA-N 1 3 305.426 0.940 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1 ZINC000818638041 671039911 /nfs/dbraw/zinc/03/99/11/671039911.db2.gz OPBGODCVYRUTKU-CYBMUJFWSA-N 1 3 318.421 0.993 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884101 671185123 /nfs/dbraw/zinc/18/51/23/671185123.db2.gz DPNMOEUWNCKXSG-IVMMDQJWSA-N 1 3 316.405 0.727 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(=O)OC(C)(C)C ZINC000853822612 671270701 /nfs/dbraw/zinc/27/07/01/671270701.db2.gz RPTJDRCZFXHXER-LBPRGKRZSA-N 1 3 301.431 0.716 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(=O)OC(C)(C)C ZINC000853822612 671270704 /nfs/dbraw/zinc/27/07/04/671270704.db2.gz RPTJDRCZFXHXER-LBPRGKRZSA-N 1 3 301.431 0.716 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000828247779 671548133 /nfs/dbraw/zinc/54/81/33/671548133.db2.gz ZZIZUJFFIFGLJI-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CCO[C@@H](CNC(=O)c1ccnn1CCN(C)C)C[NH+](C)C ZINC000831712486 671681044 /nfs/dbraw/zinc/68/10/44/671681044.db2.gz CHBBZQMDDXSHKU-ZDUSSCGKSA-N 1 3 311.430 0.141 20 0 DCADHO C[C@@H]1CCCN1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867149467 671808321 /nfs/dbraw/zinc/80/83/21/671808321.db2.gz WHJTXGQSZYAEAM-CQSZACIVSA-N 1 3 303.472 0.876 20 0 DCADHO COCCN1CC[C@H](NC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841286543 671925409 /nfs/dbraw/zinc/92/54/09/671925409.db2.gz DJSSSMMXEOCLCA-AWEZNQCLSA-N 1 3 322.409 0.866 20 0 DCADHO CCCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000841788268 671955227 /nfs/dbraw/zinc/95/52/27/671955227.db2.gz FWEUOARBSGRWCA-SOUVJXGZSA-N 1 3 310.442 0.633 20 0 DCADHO CC[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[C@@H]1[NH3+] ZINC000841791186 671956006 /nfs/dbraw/zinc/95/60/06/671956006.db2.gz PEECSANJZIHBNH-BARDWOONSA-N 1 3 310.442 0.618 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841791160 671956162 /nfs/dbraw/zinc/95/61/62/671956162.db2.gz ONMAMSOAZNFKBP-BARDWOONSA-N 1 3 308.426 0.386 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016028 671974599 /nfs/dbraw/zinc/97/45/99/671974599.db2.gz QTHOFMOLBGTKCW-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N1CCCCC1 ZINC000842016354 671974625 /nfs/dbraw/zinc/97/46/25/671974625.db2.gz UJUAVLSWQVIRHO-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000842016352 671974697 /nfs/dbraw/zinc/97/46/97/671974697.db2.gz UJUAVLSWQVIRHO-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCCCC[NH3+] ZINC000843261850 672076830 /nfs/dbraw/zinc/07/68/30/672076830.db2.gz IYEFMJVGPZZKHV-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1C[NH2+]CCC1(F)F ZINC000844180808 672158544 /nfs/dbraw/zinc/15/85/44/672158544.db2.gz TYUIHKBHMVKLDR-QJPTWQEYSA-N 1 3 303.353 0.211 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844309199 672172674 /nfs/dbraw/zinc/17/26/74/672172674.db2.gz KDTOEVVEPHPJHN-MRXNPFEDSA-N 1 3 324.469 0.927 20 0 DCADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC000846144216 672296916 /nfs/dbraw/zinc/29/69/16/672296916.db2.gz ILNAZPSLHANWBD-HWMZRRJGSA-N 1 3 322.453 0.620 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000846366138 672310199 /nfs/dbraw/zinc/31/01/99/672310199.db2.gz YUMGVAHYASMOEQ-KRWDZBQOSA-N 1 3 322.453 0.285 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001020348118 693778707 /nfs/dbraw/zinc/77/87/07/693778707.db2.gz OXYBESYQBPXFKF-JOCQHMNTSA-N 1 3 318.425 0.180 20 0 DCADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037847767 693955744 /nfs/dbraw/zinc/95/57/44/693955744.db2.gz BIXOMEGMQPCLBT-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535519 694109846 /nfs/dbraw/zinc/10/98/46/694109846.db2.gz KEEKDPVTPKFFQL-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535519 694109849 /nfs/dbraw/zinc/10/98/49/694109849.db2.gz KEEKDPVTPKFFQL-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC000962309516 688879388 /nfs/dbraw/zinc/87/93/88/688879388.db2.gz MOYOWIOHNKRYJX-VQCLRJIVSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3cncn3C)C2)C1 ZINC000962309654 688880044 /nfs/dbraw/zinc/88/00/44/688880044.db2.gz PJQFQNYISGLGEW-WLYUNCDWSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]([NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1)C(N)=O ZINC000965065399 689348239 /nfs/dbraw/zinc/34/82/39/689348239.db2.gz VVJKQRVEWTULFI-PPAFITILSA-N 1 3 322.453 0.219 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001039112175 694304798 /nfs/dbraw/zinc/30/47/98/694304798.db2.gz DOHATUKQDWSEHC-HOTGVXAUSA-N 1 3 309.454 0.633 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039112175 694304803 /nfs/dbraw/zinc/30/48/03/694304803.db2.gz DOHATUKQDWSEHC-HOTGVXAUSA-N 1 3 309.454 0.633 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCO)C1 ZINC001039238975 694329355 /nfs/dbraw/zinc/32/93/55/694329355.db2.gz PTJVFPOBXGWJDU-ZFWWWQNUSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CC[N@H+](CCO)C1 ZINC001039238975 694329358 /nfs/dbraw/zinc/32/93/58/694329358.db2.gz PTJVFPOBXGWJDU-ZFWWWQNUSA-N 1 3 306.410 0.648 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000967980364 690142135 /nfs/dbraw/zinc/14/21/35/690142135.db2.gz UJJAMTSGSPOYHD-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000967980364 690142139 /nfs/dbraw/zinc/14/21/39/690142139.db2.gz UJJAMTSGSPOYHD-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000968912909 690423145 /nfs/dbraw/zinc/42/31/45/690423145.db2.gz WZECXVAZXMOLRS-CVEARBPZSA-N 1 3 317.437 0.816 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCO)C3)C1 ZINC001040395393 694546312 /nfs/dbraw/zinc/54/63/12/694546312.db2.gz PHRGBHJMLWRINH-RDJZCZTQSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCO)C3)C1 ZINC001040395393 694546316 /nfs/dbraw/zinc/54/63/16/694546316.db2.gz PHRGBHJMLWRINH-RDJZCZTQSA-N 1 3 309.454 0.635 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccns2)C1 ZINC001018630911 693169807 /nfs/dbraw/zinc/16/98/07/693169807.db2.gz BBBZHOMPSFOOSE-GXTWGEPZSA-N 1 3 308.451 0.970 20 0 DCADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001018634554 693170647 /nfs/dbraw/zinc/17/06/47/693170647.db2.gz KNWDWRAQPMMKHO-JKSUJKDBSA-N 1 3 319.453 0.730 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001018835480 693256094 /nfs/dbraw/zinc/25/60/94/693256094.db2.gz JGGCVGHKNWRAJC-GOEBONIOSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001018835480 693256098 /nfs/dbraw/zinc/25/60/98/693256098.db2.gz JGGCVGHKNWRAJC-GOEBONIOSA-N 1 3 319.453 0.983 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC001018870224 693269349 /nfs/dbraw/zinc/26/93/49/693269349.db2.gz JGGUXTRCMPLILL-CWRNSKLLSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC001018870224 693269351 /nfs/dbraw/zinc/26/93/51/693269351.db2.gz JGGUXTRCMPLILL-CWRNSKLLSA-N 1 3 319.453 0.841 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001018966777 693299998 /nfs/dbraw/zinc/29/99/98/693299998.db2.gz RYHKCBNSFLKCGQ-DZGCQCFKSA-N 1 3 305.426 0.451 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC001018966907 693301076 /nfs/dbraw/zinc/30/10/76/693301076.db2.gz WZECXVAZXMOLRS-HOTGVXAUSA-N 1 3 317.437 0.816 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1=O ZINC001019002451 693317826 /nfs/dbraw/zinc/31/78/26/693317826.db2.gz WMLUYGUBPJMSCY-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001019380981 693454771 /nfs/dbraw/zinc/45/47/71/693454771.db2.gz UUSLZZVZPZRMLO-KBPBESRZSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001019380981 693454774 /nfs/dbraw/zinc/45/47/74/693454774.db2.gz UUSLZZVZPZRMLO-KBPBESRZSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001019383113 693456678 /nfs/dbraw/zinc/45/66/78/693456678.db2.gz WKOXDIFURTXOHN-HOCLYGCPSA-N 1 3 319.453 0.495 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001019397045 693461847 /nfs/dbraw/zinc/46/18/47/693461847.db2.gz GOLRSMDYBNXNBV-GJZGRUSLSA-N 1 3 320.437 0.416 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001019560491 693522705 /nfs/dbraw/zinc/52/27/05/693522705.db2.gz IRXHGBJTVOJHQU-HNNXBMFYSA-N 1 3 320.441 0.201 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001020178789 693723811 /nfs/dbraw/zinc/72/38/11/693723811.db2.gz FEKKFYLNWPLYPM-YHUYYLMFSA-N 1 3 307.438 0.887 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2)C1CC1 ZINC001072814390 694669552 /nfs/dbraw/zinc/66/95/52/694669552.db2.gz CFPNROUKAFDPHO-GOEBONIOSA-N 1 3 321.465 0.897 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2)C1CC1 ZINC001072814390 694669554 /nfs/dbraw/zinc/66/95/54/694669554.db2.gz CFPNROUKAFDPHO-GOEBONIOSA-N 1 3 321.465 0.897 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073599953 694749727 /nfs/dbraw/zinc/74/97/27/694749727.db2.gz SPLYKTQCCHRORM-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073599953 694749729 /nfs/dbraw/zinc/74/97/29/694749729.db2.gz SPLYKTQCCHRORM-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO O=C(NC[C@H]1CN(CCCF)CCCO1)C12CC[NH+](CC1)C2 ZINC001073862656 694793952 /nfs/dbraw/zinc/79/39/52/694793952.db2.gz VNQVSCSIVULOAN-AWEZNQCLSA-N 1 3 313.417 0.649 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)[C@H]1CCCN1C ZINC001074565065 694908569 /nfs/dbraw/zinc/90/85/69/694908569.db2.gz QRRSPKOJQVTOJM-CWRNSKLLSA-N 1 3 319.453 0.636 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cnn(C)c3)[C@@H]2C)CC[N@@H+]1C ZINC001074661963 694915710 /nfs/dbraw/zinc/91/57/10/694915710.db2.gz VALFTGVXHKGFJN-CLWVCHIJSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cnn(C)c3)[C@@H]2C)CC[N@H+]1C ZINC001074661963 694915711 /nfs/dbraw/zinc/91/57/11/694915711.db2.gz VALFTGVXHKGFJN-CLWVCHIJSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cccn3)[C@@H]2C)C1 ZINC001074878291 694927984 /nfs/dbraw/zinc/92/79/84/694927984.db2.gz LICRUMNIHDWVCV-JYJNAYRXSA-N 1 3 319.453 0.804 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C)N(C)C ZINC001074888507 694928737 /nfs/dbraw/zinc/92/87/37/694928737.db2.gz GNQIYTRTWAIVED-QEJZJMRPSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001076589442 695030638 /nfs/dbraw/zinc/03/06/38/695030638.db2.gz GUGPZWDAUFRTMQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001076589442 695030639 /nfs/dbraw/zinc/03/06/39/695030639.db2.gz GUGPZWDAUFRTMQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCO)[C@H]2C1 ZINC001571514041 1162789985 /nfs/dbraw/zinc/78/99/85/1162789985.db2.gz ZRKGIJCVLPNCPL-HRCADAONSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCO)[C@@H]2C1 ZINC001571514040 1162790889 /nfs/dbraw/zinc/79/08/89/1162790889.db2.gz ZRKGIJCVLPNCPL-ARFHVFGLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001687119888 1157360091 /nfs/dbraw/zinc/36/00/91/1157360091.db2.gz RNDREJRNCUQPKP-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001691451068 1157776944 /nfs/dbraw/zinc/77/69/44/1157776944.db2.gz OLZHHFGXMKVHID-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001648974751 1158222463 /nfs/dbraw/zinc/22/24/63/1158222463.db2.gz GLOYMRBVSIIRDF-PVAVHDDUSA-N 1 3 319.449 0.984 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)CC[NH2+]1 ZINC001648981265 1158267319 /nfs/dbraw/zinc/26/73/19/1158267319.db2.gz NYXKYJVSEIQJMN-LERXQTSPSA-N 1 3 316.405 0.769 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)Nc1ccc2c(c1)OCCNC2 ZINC001649037823 1158607797 /nfs/dbraw/zinc/60/77/97/1158607797.db2.gz BPMRJZMGOCEZJQ-MRXNPFEDSA-N 1 3 305.378 0.612 20 0 DCADHO CN(C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CN2CCC1CC2 ZINC001649042191 1158618782 /nfs/dbraw/zinc/61/87/82/1158618782.db2.gz LOBBPGAVQWTHHW-GOEBONIOSA-N 1 3 306.410 0.438 20 0 DCADHO [NH3+]CCc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1 ZINC001649097907 1158640748 /nfs/dbraw/zinc/64/07/48/1158640748.db2.gz VTSYVKRDNRTOCI-UHFFFAOYSA-N 1 3 303.406 0.782 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001687482144 1158646027 /nfs/dbraw/zinc/64/60/27/1158646027.db2.gz JVGCDQBPXVQVGA-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001687482144 1158646028 /nfs/dbraw/zinc/64/60/28/1158646028.db2.gz JVGCDQBPXVQVGA-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(N)=O ZINC001082585981 1158754306 /nfs/dbraw/zinc/75/43/06/1158754306.db2.gz UPORFCBORBFMGS-MGPQQGTHSA-N 1 3 322.453 0.173 20 0 DCADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)C1(C2CC[NH2+]CC2)CC1 ZINC001649157335 1158835098 /nfs/dbraw/zinc/83/50/98/1158835098.db2.gz NFMJFEQTVBZXIY-CVEARBPZSA-N 1 3 321.465 0.824 20 0 DCADHO CN(CC1CN(C)C1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC001771770647 1158866698 /nfs/dbraw/zinc/86/66/98/1158866698.db2.gz ACROMNDWCDCOJF-CVEARBPZSA-N 1 3 319.453 0.475 20 0 DCADHO CN(CC1CN(C)C1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC001771770647 1158866708 /nfs/dbraw/zinc/86/67/08/1158866708.db2.gz ACROMNDWCDCOJF-CVEARBPZSA-N 1 3 319.453 0.475 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cnnn1C ZINC001444867731 1159298138 /nfs/dbraw/zinc/29/81/38/1159298138.db2.gz FLORUXVJEHEATK-YUELXQCFSA-N 1 3 322.457 0.386 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cnnn1C ZINC001444867731 1159298144 /nfs/dbraw/zinc/29/81/44/1159298144.db2.gz FLORUXVJEHEATK-YUELXQCFSA-N 1 3 322.457 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001446425165 1159409611 /nfs/dbraw/zinc/40/96/11/1159409611.db2.gz WHJMGZOFENAPFI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001446450251 1159420307 /nfs/dbraw/zinc/42/03/07/1159420307.db2.gz DWQRGQUEQRORBD-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001446450251 1159420311 /nfs/dbraw/zinc/42/03/11/1159420311.db2.gz DWQRGQUEQRORBD-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNCc1nccn1C)[NH+](C)C ZINC001568674193 1160732147 /nfs/dbraw/zinc/73/21/47/1160732147.db2.gz HTJOYHKHFKWHOH-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001568827186 1160793079 /nfs/dbraw/zinc/79/30/79/1160793079.db2.gz KSRUPGXVBSNOLC-ZZVHHRJTSA-N 1 3 323.359 0.656 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CCCF)C2)C1 ZINC001570290631 1161546813 /nfs/dbraw/zinc/54/68/13/1161546813.db2.gz BPFRUNIDCDCIFD-HOCLYGCPSA-N 1 3 315.433 0.631 20 0 DCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001575115755 1163903800 /nfs/dbraw/zinc/90/38/00/1163903800.db2.gz JLIZXHCGKQPXFS-CWRNSKLLSA-N 1 3 300.443 0.586 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001575139877 1163913851 /nfs/dbraw/zinc/91/38/51/1163913851.db2.gz OJNCREAXQFHFRI-GFCCVEGCSA-N 1 3 308.430 0.620 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001575141459 1163916447 /nfs/dbraw/zinc/91/64/47/1163916447.db2.gz XIXCMIOSDLITHN-LSDHHAIUSA-N 1 3 323.485 0.548 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NCc2cn[nH]n2)CCCC1)[NH+](C)C ZINC001575328517 1163975434 /nfs/dbraw/zinc/97/54/34/1163975434.db2.gz PSPKAAVJMZVVHY-CQSZACIVSA-N 1 3 322.457 0.910 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC001575426932 1164010023 /nfs/dbraw/zinc/01/00/23/1164010023.db2.gz LQOWGDOBRMFXEN-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC001575426932 1164010028 /nfs/dbraw/zinc/01/00/28/1164010028.db2.gz LQOWGDOBRMFXEN-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)NCc1c[nH]nn1 ZINC001575698112 1164111076 /nfs/dbraw/zinc/11/10/76/1164111076.db2.gz VEMCWOOOSZGUIO-NWDGAFQWSA-N 1 3 306.414 0.416 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001575925095 1164186186 /nfs/dbraw/zinc/18/61/86/1164186186.db2.gz YMGBKZFYTBWLQX-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)N1CCC2(C[NH2+]C2)CC1)CN1CCN(C)CC1 ZINC001576016829 1164213020 /nfs/dbraw/zinc/21/30/20/1164213020.db2.gz FGEWUIFOTJWCGO-OAHLLOKOSA-N 1 3 323.485 0.265 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCc1cn[nH]n1 ZINC001576024135 1164215073 /nfs/dbraw/zinc/21/50/73/1164215073.db2.gz RMRYLSLUJLZBEJ-JSGCOSHPSA-N 1 3 308.430 0.268 20 0 DCADHO C[C@@H](CNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2)[NH+](C)C ZINC001576033290 1164218540 /nfs/dbraw/zinc/21/85/40/1164218540.db2.gz QILWFFQFAWWKNF-GXFFZTMASA-N 1 3 304.394 0.579 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576478073 1164358799 /nfs/dbraw/zinc/35/87/99/1164358799.db2.gz MUGKAVTXMSCOJQ-ZFWWWQNUSA-N 1 3 322.457 0.564 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[C@@H](C)CN1 ZINC001576772796 1164459845 /nfs/dbraw/zinc/45/98/45/1164459845.db2.gz RWNMTNRHEDTWQN-IPYPFGDCSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[C@@H](C)CN1 ZINC001576772796 1164459850 /nfs/dbraw/zinc/45/98/50/1164459850.db2.gz RWNMTNRHEDTWQN-IPYPFGDCSA-N 1 3 310.442 0.632 20 0 DCADHO CCN1C[C@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C(C)(C)C1 ZINC001577760112 1164783387 /nfs/dbraw/zinc/78/33/87/1164783387.db2.gz MLFSXWSDAGKHOV-FZMZJTMJSA-N 1 3 305.426 0.947 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](NCc2cn[nH]n2)C1 ZINC001577872918 1164821584 /nfs/dbraw/zinc/82/15/84/1164821584.db2.gz PVPMFLYKULOUHU-JOCQHMNTSA-N 1 3 306.414 0.418 20 0 DCADHO CCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC[NH2+]C ZINC001578323983 1164975272 /nfs/dbraw/zinc/97/52/72/1164975272.db2.gz CGUHHAPTEZTYSF-AWEZNQCLSA-N 1 3 322.457 0.218 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)CC2(O)C[NH2+]C2)c2ccccc2O1 ZINC001578412914 1165004207 /nfs/dbraw/zinc/00/42/07/1165004207.db2.gz WXEWGQVKVQPYGK-GFCCVEGCSA-N 1 3 305.378 0.067 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)CC2(O)C[NH2+]C2)c2ccccc2O1 ZINC001578412915 1165004789 /nfs/dbraw/zinc/00/47/89/1165004789.db2.gz WXEWGQVKVQPYGK-LBPRGKRZSA-N 1 3 305.378 0.067 20 0 DCADHO CN(CC(F)F)C1CCN(C[C@H]2CC3(C[NH2+]C3)C(=O)O2)CC1 ZINC001578442358 1165019180 /nfs/dbraw/zinc/01/91/80/1165019180.db2.gz QTARJISIKDIESP-GFCCVEGCSA-N 1 3 317.380 0.553 20 0 DCADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001578524460 1165042799 /nfs/dbraw/zinc/04/27/99/1165042799.db2.gz WUFRBVUGCQAGSK-GJZGRUSLSA-N 1 3 301.390 0.945 20 0 DCADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001578524460 1165042805 /nfs/dbraw/zinc/04/28/05/1165042805.db2.gz WUFRBVUGCQAGSK-GJZGRUSLSA-N 1 3 301.390 0.945 20 0 DCADHO CN(C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CCN(C)CC1 ZINC001578525361 1165043914 /nfs/dbraw/zinc/04/39/14/1165043914.db2.gz WXJXYUXRTDSSFX-ZDUSSCGKSA-N 1 3 306.414 0.369 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001578529024 1165047555 /nfs/dbraw/zinc/04/75/55/1165047555.db2.gz OKTFLVIAQRVTDF-BBWFWOEESA-N 1 3 320.481 0.898 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3C[NH2+]CCC34CCC4)C2)CC1 ZINC001578533216 1165048800 /nfs/dbraw/zinc/04/88/00/1165048800.db2.gz BKXYHVDTNFAYRR-INIZCTEOSA-N 1 3 320.481 0.472 20 0 DCADHO COCC[C@@H]([NH3+])CN[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC001579001892 1165185216 /nfs/dbraw/zinc/18/52/16/1165185216.db2.gz MXJGSYDYALBIDC-MSOLQXFVSA-N 1 3 320.481 0.929 20 0 DCADHO Cc1c(C[C@@H](CN)C[NH2+][C@H](C)Cc2cnn(C)c2)cnn1C ZINC001579530000 1165338919 /nfs/dbraw/zinc/33/89/19/1165338919.db2.gz PSDPYNYQADBMFE-OCCSQVGLSA-N 1 3 304.442 0.800 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)CCN(C)CCO ZINC001579826970 1165404613 /nfs/dbraw/zinc/40/46/13/1165404613.db2.gz WFDWESBEGSJHGJ-CQSZACIVSA-N 1 3 323.441 0.112 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2=CC[NH2+]CC2)CC1 ZINC001580085158 1165496525 /nfs/dbraw/zinc/49/65/25/1165496525.db2.gz UKCOOBBVCUIDPO-UHFFFAOYSA-N 1 3 320.437 0.239 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@H]1CCCS(=O)(=O)C1)CC2 ZINC001580257663 1165549659 /nfs/dbraw/zinc/54/96/59/1165549659.db2.gz VSVOGQHCURMFHL-ZIAGYGMSSA-N 1 3 316.467 0.641 20 0 DCADHO [NH3+][C@H]1C[C@@](C(=O)N[C@@H](CO)CN2CCCC2)(c2ccccc2)C1 ZINC001580426255 1165599305 /nfs/dbraw/zinc/59/93/05/1165599305.db2.gz SNTFZRVMZGDAAW-JFIYKMOQSA-N 1 3 317.433 0.618 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCNC3=O)CC2)CC1 ZINC001646127495 1172264389 /nfs/dbraw/zinc/26/43/89/1172264389.db2.gz SZIDVKYANPQCCO-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001646496083 1172405093 /nfs/dbraw/zinc/40/50/93/1172405093.db2.gz OSDHELUWIHISEG-AWEZNQCLSA-N 1 3 322.409 0.026 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C[C@@H](O)C[NH3+])c1cccc(OC)c1 ZINC001646735234 1172499900 /nfs/dbraw/zinc/49/99/00/1172499900.db2.gz BWHPVASWVJYMHA-GDBMZVCRSA-N 1 3 323.437 0.904 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)CC1 ZINC001646743017 1172505023 /nfs/dbraw/zinc/50/50/23/1172505023.db2.gz JDIYSZDVAOJBHU-YESZJQIVSA-N 1 3 322.497 0.908 20 0 DCADHO CN1CCN(C2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001647340866 1172824716 /nfs/dbraw/zinc/82/47/16/1172824716.db2.gz RLKOLOGZYBPHLO-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO CSC[C@@H](O)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001650159515 1173489292 /nfs/dbraw/zinc/48/92/92/1173489292.db2.gz UFWNAKMPYNBOGA-HOTGVXAUSA-N 1 3 310.463 0.937 20 0 DCADHO CSC[C@@H](O)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001650159515 1173489295 /nfs/dbraw/zinc/48/92/95/1173489295.db2.gz UFWNAKMPYNBOGA-HOTGVXAUSA-N 1 3 310.463 0.937 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001650182540 1173504161 /nfs/dbraw/zinc/50/41/61/1173504161.db2.gz LPFHSNFHNCGRNE-UONOGXRCSA-N 1 3 312.458 0.737 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001650337978 1173576299 /nfs/dbraw/zinc/57/62/99/1173576299.db2.gz ZNXUATOBXDCKPQ-IGQOVBAYSA-N 1 3 313.442 0.750 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@@H](N)CCC(C)C)C2 ZINC001650383321 1173605749 /nfs/dbraw/zinc/60/57/49/1173605749.db2.gz GYEIKECCRVDJGE-ZWUHOBOKSA-N 1 3 311.426 0.489 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC001650388583 1173609973 /nfs/dbraw/zinc/60/99/73/1173609973.db2.gz CXPYBNDWROJNFL-OIISXLGYSA-N 1 3 318.465 0.889 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cn1 ZINC001661366208 1174119072 /nfs/dbraw/zinc/11/90/72/1174119072.db2.gz XVNNFOISCKMVLU-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664369662 1174426389 /nfs/dbraw/zinc/42/63/89/1174426389.db2.gz GXQQJOLTIWLRGO-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001664369662 1174426391 /nfs/dbraw/zinc/42/63/91/1174426391.db2.gz GXQQJOLTIWLRGO-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CCn1cncn1 ZINC001666600281 1174613788 /nfs/dbraw/zinc/61/37/88/1174613788.db2.gz QWLANIRCBAEMCV-AWEZNQCLSA-N 1 3 322.457 0.494 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001669002537 1174875588 /nfs/dbraw/zinc/87/55/88/1174875588.db2.gz ZCFHQMYILRIMDO-REBNAPPDSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001669002537 1174875593 /nfs/dbraw/zinc/87/55/93/1174875593.db2.gz ZCFHQMYILRIMDO-REBNAPPDSA-N 1 3 322.453 0.209 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)C1=O ZINC001670246414 1174996187 /nfs/dbraw/zinc/99/61/87/1174996187.db2.gz YOAJTDSYHTWORF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)C1=O ZINC001670246413 1174996302 /nfs/dbraw/zinc/99/63/02/1174996302.db2.gz YOAJTDSYHTWORF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672805952 1175153959 /nfs/dbraw/zinc/15/39/59/1175153959.db2.gz QVEKCOXAUZSUQR-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+]1CCN(C(=O)NCCCCN2CCOCC2)[C@H](C)C1 ZINC001675812588 1175392562 /nfs/dbraw/zinc/39/25/62/1175392562.db2.gz YAYFIJORKDUPGO-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO CC[N@H+]1CCN(C(=O)NCCCCN2CCOCC2)[C@H](C)C1 ZINC001675812588 1175392569 /nfs/dbraw/zinc/39/25/69/1175392569.db2.gz YAYFIJORKDUPGO-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO CN(CCCCCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001689159107 1176718015 /nfs/dbraw/zinc/71/80/15/1176718015.db2.gz KMWJATCGCAHZHW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001689339691 1176834016 /nfs/dbraw/zinc/83/40/16/1176834016.db2.gz UZPPYKFDBRVROF-KFBXHMBNSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001689339691 1176834026 /nfs/dbraw/zinc/83/40/26/1176834026.db2.gz UZPPYKFDBRVROF-KFBXHMBNSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@H](C(N)=O)N(CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001689932731 1177118760 /nfs/dbraw/zinc/11/87/60/1177118760.db2.gz LWMJDMCCWMGYAQ-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO COCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001699020741 1177774644 /nfs/dbraw/zinc/77/46/44/1177774644.db2.gz NVTCZJJRWSUNMM-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO COCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001699020741 1177774652 /nfs/dbraw/zinc/77/46/52/1177774652.db2.gz NVTCZJJRWSUNMM-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@@H](C)NC(=O)Cc2nc[nH]c2C)n1 ZINC001699405471 1178121626 /nfs/dbraw/zinc/12/16/26/1178121626.db2.gz GFKXCYIUILXZFB-SNVBAGLBSA-N 1 3 320.397 0.679 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001699991538 1178410827 /nfs/dbraw/zinc/41/08/27/1178410827.db2.gz PCFSOUFIJWYSLZ-OKILXGFUSA-N 1 3 306.410 0.769 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001699991538 1178410830 /nfs/dbraw/zinc/41/08/30/1178410830.db2.gz PCFSOUFIJWYSLZ-OKILXGFUSA-N 1 3 306.410 0.769 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCOCC(F)F)CN1C(=O)CN1CCCC1 ZINC001700854756 1178779189 /nfs/dbraw/zinc/77/91/89/1178779189.db2.gz UPQWZMUVGCIAAS-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO C[NH+](C)CCCCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001700947521 1178824350 /nfs/dbraw/zinc/82/43/50/1178824350.db2.gz STJACNGNUARGTN-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001703207585 1179392971 /nfs/dbraw/zinc/39/29/71/1179392971.db2.gz SSCWLGRIESFLDH-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001703207585 1179392979 /nfs/dbraw/zinc/39/29/79/1179392979.db2.gz SSCWLGRIESFLDH-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001703222663 1179402908 /nfs/dbraw/zinc/40/29/08/1179402908.db2.gz LSQJNLWIVWEVGQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC001703222663 1179402913 /nfs/dbraw/zinc/40/29/13/1179402913.db2.gz LSQJNLWIVWEVGQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001704584769 1180077289 /nfs/dbraw/zinc/07/72/89/1180077289.db2.gz WBRKXJLWYFWCFL-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCn1cccn1 ZINC001713666828 1181008112 /nfs/dbraw/zinc/00/81/12/1181008112.db2.gz FERCNHCMAVKNJH-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO C[C@H](O)C[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001714283797 1181306573 /nfs/dbraw/zinc/30/65/73/1181306573.db2.gz MDLJAHQKVSTJQH-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H](F)CNCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001714775493 1181539242 /nfs/dbraw/zinc/53/92/42/1181539242.db2.gz VGQYBRRDQQWPAK-ZDUSSCGKSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001715327034 1181774014 /nfs/dbraw/zinc/77/40/14/1181774014.db2.gz RWRXZNNLXUESPX-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715813018 1182021471 /nfs/dbraw/zinc/02/14/71/1182021471.db2.gz BWAUPDHTOJYSIZ-AFNCTOJWSA-N 1 3 324.469 0.647 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001715976163 1182126734 /nfs/dbraw/zinc/12/67/34/1182126734.db2.gz IRQICFJPEBHGEI-GOEBONIOSA-N 1 3 321.469 0.930 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)CN(C)C1CCC1 ZINC001715977392 1182128255 /nfs/dbraw/zinc/12/82/55/1182128255.db2.gz BLHIYBSWDXQSCQ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](O)CNCCF ZINC001716093415 1182186020 /nfs/dbraw/zinc/18/60/20/1182186020.db2.gz LUYOFNSLRATHPL-CYBMUJFWSA-N 1 3 303.422 0.676 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](O)CNCCF ZINC001716093415 1182186025 /nfs/dbraw/zinc/18/60/25/1182186025.db2.gz LUYOFNSLRATHPL-CYBMUJFWSA-N 1 3 303.422 0.676 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](O)CNCCF ZINC001716093416 1182186236 /nfs/dbraw/zinc/18/62/36/1182186236.db2.gz LUYOFNSLRATHPL-ZDUSSCGKSA-N 1 3 303.422 0.676 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](O)CNCCF ZINC001716093416 1182186238 /nfs/dbraw/zinc/18/62/38/1182186238.db2.gz LUYOFNSLRATHPL-ZDUSSCGKSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@H](F)CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001716097167 1182188226 /nfs/dbraw/zinc/18/82/26/1182188226.db2.gz NEDBDZSDOLTAOF-STQMWFEESA-N 1 3 303.422 0.676 20 0 DCADHO C[C@@H](CC[NH2+]CCc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001716174484 1182232839 /nfs/dbraw/zinc/23/28/39/1182232839.db2.gz SQOXNVULTRGQMU-CABCVRRESA-N 1 3 321.469 0.789 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716336290 1182343106 /nfs/dbraw/zinc/34/31/06/1182343106.db2.gz HOGAIXIJAKTJTP-LDSMNOPCSA-N 1 3 310.442 0.113 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716336290 1182343113 /nfs/dbraw/zinc/34/31/13/1182343113.db2.gz HOGAIXIJAKTJTP-LDSMNOPCSA-N 1 3 310.442 0.113 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001716788412 1182526003 /nfs/dbraw/zinc/52/60/03/1182526003.db2.gz HROCONTWDPCIDA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001717028377 1182633558 /nfs/dbraw/zinc/63/35/58/1182633558.db2.gz RLRMHGCHXZYTMN-GDBMZVCRSA-N 1 3 315.458 0.042 20 0 DCADHO Cn1cc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001717092996 1182674270 /nfs/dbraw/zinc/67/42/70/1182674270.db2.gz IGOWTXPSCIUZOF-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001718030419 1183118107 /nfs/dbraw/zinc/11/81/07/1183118107.db2.gz JRTJNIJJMIMKDJ-UHFFFAOYSA-N 1 3 319.453 0.973 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001718030419 1183118110 /nfs/dbraw/zinc/11/81/10/1183118110.db2.gz JRTJNIJJMIMKDJ-UHFFFAOYSA-N 1 3 319.453 0.973 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001721865797 1184085161 /nfs/dbraw/zinc/08/51/61/1184085161.db2.gz NPEZCTHZVPEZRS-JLDNBTGWSA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001721865797 1184085170 /nfs/dbraw/zinc/08/51/70/1184085170.db2.gz NPEZCTHZVPEZRS-JLDNBTGWSA-N 1 3 324.469 0.455 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1)C1CCC1 ZINC001723906636 1184361820 /nfs/dbraw/zinc/36/18/20/1184361820.db2.gz URTHNGNFBXZZOE-OAHLLOKOSA-N 1 3 320.441 0.343 20 0 DCADHO CN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCN(C)C1=O ZINC001731270532 1185231865 /nfs/dbraw/zinc/23/18/65/1185231865.db2.gz VLGQEDMBKAUZNQ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[NH2+]CCOC[C@@H]1CCCO1)C(=O)[C@H]1CCCN1C ZINC001731897942 1185556415 /nfs/dbraw/zinc/55/64/15/1185556415.db2.gz HBJZGYULPVSQAB-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732852823 1186015888 /nfs/dbraw/zinc/01/58/88/1186015888.db2.gz VJLRXCWGGVLNBW-BUHQSOCUSA-N 1 3 310.442 0.256 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732852823 1186015892 /nfs/dbraw/zinc/01/58/92/1186015892.db2.gz VJLRXCWGGVLNBW-BUHQSOCUSA-N 1 3 310.442 0.256 20 0 DCADHO CN(CCCNCC(=O)Nc1ccon1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733143086 1186160270 /nfs/dbraw/zinc/16/02/70/1186160270.db2.gz BSFWQRUVKJTOAW-GFCCVEGCSA-N 1 3 323.397 0.003 20 0 DCADHO CN(CCCNCC(=O)Nc1ccon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001733143086 1186160272 /nfs/dbraw/zinc/16/02/72/1186160272.db2.gz BSFWQRUVKJTOAW-GFCCVEGCSA-N 1 3 323.397 0.003 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC/C=C/Cl)C2)C1 ZINC001733751602 1186431780 /nfs/dbraw/zinc/43/17/80/1186431780.db2.gz YCNKQBSYAFZIQJ-YLGNMVSYSA-N 1 3 301.818 0.508 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC/C=C/Cl)C2)C1 ZINC001733751602 1186431782 /nfs/dbraw/zinc/43/17/82/1186431782.db2.gz YCNKQBSYAFZIQJ-YLGNMVSYSA-N 1 3 301.818 0.508 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCNC(=O)[C@@H]2CCCN2C)C1 ZINC001737111759 1187248150 /nfs/dbraw/zinc/24/81/50/1187248150.db2.gz WAOLESWZOJTYNN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)[C@@H]2CCCN2C)C1 ZINC001737111759 1187248151 /nfs/dbraw/zinc/24/81/51/1187248151.db2.gz WAOLESWZOJTYNN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001752222452 1188404524 /nfs/dbraw/zinc/40/45/24/1188404524.db2.gz FKGQKUWNDKHCGO-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001752222452 1188404526 /nfs/dbraw/zinc/40/45/26/1188404526.db2.gz FKGQKUWNDKHCGO-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753926373 1188685125 /nfs/dbraw/zinc/68/51/25/1188685125.db2.gz SROKHFIXQARVHS-CABCVRRESA-N 1 3 315.433 0.820 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753926373 1188685127 /nfs/dbraw/zinc/68/51/27/1188685127.db2.gz SROKHFIXQARVHS-CABCVRRESA-N 1 3 315.433 0.820 20 0 DCADHO C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001753999598 1188707836 /nfs/dbraw/zinc/70/78/36/1188707836.db2.gz MVWOLNAVJZHBOW-IAQYHMDHSA-N 1 3 316.421 0.169 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001754255912 1188800180 /nfs/dbraw/zinc/80/01/80/1188800180.db2.gz FHIDAWGXZHTKQU-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO C[NH+]1CCC(C(=O)N(CCO)CCNC/C=C\Cl)CC1 ZINC001754892484 1188966069 /nfs/dbraw/zinc/96/60/69/1188966069.db2.gz NJBBHDHQGNBXDN-DJWKRKHSSA-N 1 3 303.834 0.491 20 0 DCADHO CN(C[C@H](O)C[NH2+]CC[C@H]1CCCCO1)C(=O)Cc1c[nH]cn1 ZINC001755789319 1189214353 /nfs/dbraw/zinc/21/43/53/1189214353.db2.gz LCYZHVWRJOSTJN-HUUCEWRRSA-N 1 3 324.425 0.320 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001772220722 1190633211 /nfs/dbraw/zinc/63/32/11/1190633211.db2.gz ZTYZYXAPBJYNAV-AEFFLSMTSA-N 1 3 317.433 0.991 20 0 DCADHO O=C(C[C@H]1CNCCO1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001772284184 1190653535 /nfs/dbraw/zinc/65/35/35/1190653535.db2.gz STKCVAAMMVOFTJ-ZBFHGGJFSA-N 1 3 309.454 0.993 20 0 DCADHO COCC[C@H](N)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001772291965 1190655403 /nfs/dbraw/zinc/65/54/03/1190655403.db2.gz PDLCVWSJMAITPO-HNNXBMFYSA-N 1 3 305.422 0.869 20 0 DCADHO C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC001576033754 1164218677 /nfs/dbraw/zinc/21/86/77/1164218677.db2.gz VRKYMWIQGIBTCU-CHWSQXEVSA-N 1 3 313.442 0.751 20 0 DCADHO OC[C@]12C[NH2+]C[C@@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164409279 718854411 /nfs/dbraw/zinc/85/44/11/718854411.db2.gz UWMVBRNGWSFYGU-NVXWUHKLSA-N 1 3 302.422 0.696 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480485 751415302 /nfs/dbraw/zinc/41/53/02/751415302.db2.gz KLHJNRLEKRZPLR-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@H+](CCO)CC(C)(C)C2)C1 ZINC001089490830 751418045 /nfs/dbraw/zinc/41/80/45/751418045.db2.gz GAJXJKQJSNZFLZ-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](CCO)CC(C)(C)C2)C1 ZINC001089490830 751418046 /nfs/dbraw/zinc/41/80/46/751418046.db2.gz GAJXJKQJSNZFLZ-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695813 751641768 /nfs/dbraw/zinc/64/17/68/751641768.db2.gz ZWKRUCUQFZJFTF-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695813 751641771 /nfs/dbraw/zinc/64/17/71/751641771.db2.gz ZWKRUCUQFZJFTF-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001127701655 751645695 /nfs/dbraw/zinc/64/56/95/751645695.db2.gz UBHUVFLSRSJRSB-MELADBBJSA-N 1 3 312.458 0.467 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001127701655 751645699 /nfs/dbraw/zinc/64/56/99/751645699.db2.gz UBHUVFLSRSJRSB-MELADBBJSA-N 1 3 312.458 0.467 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232359 747031816 /nfs/dbraw/zinc/03/18/16/747031816.db2.gz ACDGQTYZXHFXGY-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCCO ZINC001104294294 747136843 /nfs/dbraw/zinc/13/68/43/747136843.db2.gz IFBIRHSVQXGWHB-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098561153 747339513 /nfs/dbraw/zinc/33/95/13/747339513.db2.gz UTSKFWUAUOYAEE-CYBMUJFWSA-N 1 3 301.406 0.193 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098561153 747339519 /nfs/dbraw/zinc/33/95/19/747339519.db2.gz UTSKFWUAUOYAEE-CYBMUJFWSA-N 1 3 301.406 0.193 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](CCO)CCCF)CC1 ZINC001098572441 747447190 /nfs/dbraw/zinc/44/71/90/747447190.db2.gz HYEGLHHZHASJQF-UHFFFAOYSA-N 1 3 317.449 0.972 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CCO)CCCF)CC1 ZINC001098572441 747447192 /nfs/dbraw/zinc/44/71/92/747447192.db2.gz HYEGLHHZHASJQF-UHFFFAOYSA-N 1 3 317.449 0.972 20 0 DCADHO COCC[N@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572638 747448091 /nfs/dbraw/zinc/44/80/91/747448091.db2.gz RYTKETFJGHJGDL-UHFFFAOYSA-N 1 3 315.458 0.258 20 0 DCADHO COCC[N@@H+](CCO)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001098572638 747448097 /nfs/dbraw/zinc/44/80/97/747448097.db2.gz RYTKETFJGHJGDL-UHFFFAOYSA-N 1 3 315.458 0.258 20 0 DCADHO CN(CCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)S(C)(=O)=O ZINC000693704086 747449074 /nfs/dbraw/zinc/44/90/74/747449074.db2.gz KSWYTCPNRKJUOW-FRRDWIJNSA-N 1 3 303.472 0.634 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001087259230 747571986 /nfs/dbraw/zinc/57/19/86/747571986.db2.gz FVOZQLULCYYUEG-WCQYABFASA-N 1 3 321.425 0.494 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001087259230 747571990 /nfs/dbraw/zinc/57/19/90/747571990.db2.gz FVOZQLULCYYUEG-WCQYABFASA-N 1 3 321.425 0.494 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112529700 748317774 /nfs/dbraw/zinc/31/77/74/748317774.db2.gz LGCDPTALIWGPGY-ZQIUZPCESA-N 1 3 322.453 0.174 20 0 DCADHO NC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001088315098 749364616 /nfs/dbraw/zinc/36/46/16/749364616.db2.gz OESACZMLWXXMKA-LSDHHAIUSA-N 1 3 322.453 0.174 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088323826 749368610 /nfs/dbraw/zinc/36/86/10/749368610.db2.gz ZUTGHMVBQHBTNK-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088323826 749368618 /nfs/dbraw/zinc/36/86/18/749368618.db2.gz ZUTGHMVBQHBTNK-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001088326986 749370302 /nfs/dbraw/zinc/37/03/02/749370302.db2.gz CLECRMGKNXLOFD-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO NC(=O)CN[C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001088341961 749384328 /nfs/dbraw/zinc/38/43/28/749384328.db2.gz WPJGVZDKPYCKOM-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC1 ZINC001088373814 749406172 /nfs/dbraw/zinc/40/61/72/749406172.db2.gz PTPWZEHRUAMVOF-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001168345000 749926626 /nfs/dbraw/zinc/92/66/26/749926626.db2.gz JRJQSDSOQNKXIP-UHFFFAOYSA-N 1 3 322.457 0.494 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083475216 749985357 /nfs/dbraw/zinc/98/53/57/749985357.db2.gz YZWPVRSPBLZJRK-JJXSEGSLSA-N 1 3 309.454 0.678 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)CC[N@H+]1C ZINC001083475216 749985361 /nfs/dbraw/zinc/98/53/61/749985361.db2.gz YZWPVRSPBLZJRK-JJXSEGSLSA-N 1 3 309.454 0.678 20 0 DCADHO O=C(N[C@@H]1CN(CC2CCC2)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001077219557 750275286 /nfs/dbraw/zinc/27/52/86/750275286.db2.gz UPNMSUPEDCIGIY-HZPDHXFCSA-N 1 3 321.465 0.824 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCCC1 ZINC001127256041 750939707 /nfs/dbraw/zinc/93/97/07/750939707.db2.gz MCBJEYXKVFLXIH-HUUCEWRRSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCCC1 ZINC001127256041 750939711 /nfs/dbraw/zinc/93/97/11/750939711.db2.gz MCBJEYXKVFLXIH-HUUCEWRRSA-N 1 3 322.453 0.189 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106256211 751068007 /nfs/dbraw/zinc/06/80/07/751068007.db2.gz ZUIXWYNDQWASOS-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357395 751196129 /nfs/dbraw/zinc/19/61/29/751196129.db2.gz WCOLYNQZJMQVOT-UKRRQHHQSA-N 1 3 322.453 0.235 20 0 DCADHO O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357395 751196133 /nfs/dbraw/zinc/19/61/33/751196133.db2.gz WCOLYNQZJMQVOT-UKRRQHHQSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(=O)N(C)C ZINC001106704967 751238304 /nfs/dbraw/zinc/23/83/04/751238304.db2.gz LGUFFMIDTOLCPT-FRRDWIJNSA-N 1 3 321.425 0.113 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705246 751238421 /nfs/dbraw/zinc/23/84/21/751238421.db2.gz YPKLABNYZDWIQR-HZSPNIEDSA-N 1 3 308.426 0.797 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCCC1 ZINC001044857472 752905114 /nfs/dbraw/zinc/90/51/14/752905114.db2.gz KAEKLNMRVKODTP-LSDHHAIUSA-N 1 3 320.441 0.343 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001045274641 753125067 /nfs/dbraw/zinc/12/50/67/753125067.db2.gz OTRMCGAMXRDERF-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001045274641 753125070 /nfs/dbraw/zinc/12/50/70/753125070.db2.gz OTRMCGAMXRDERF-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045775998 753327071 /nfs/dbraw/zinc/32/70/71/753327071.db2.gz CNIGDCXABIIDTM-PMPSAXMXSA-N 1 3 309.454 0.917 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045775998 753327074 /nfs/dbraw/zinc/32/70/74/753327074.db2.gz CNIGDCXABIIDTM-PMPSAXMXSA-N 1 3 309.454 0.917 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035902 753438872 /nfs/dbraw/zinc/43/88/72/753438872.db2.gz WBAJYCTYYZTWCJ-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035902 753438876 /nfs/dbraw/zinc/43/88/76/753438876.db2.gz WBAJYCTYYZTWCJ-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@]1(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+](CC2CC2)C1 ZINC001046500789 753752965 /nfs/dbraw/zinc/75/29/65/753752965.db2.gz FHWZEJDBHBJIDA-AUCMRZJMSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@]1(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+](CC2CC2)C1 ZINC001046500789 753752969 /nfs/dbraw/zinc/75/29/69/753752969.db2.gz FHWZEJDBHBJIDA-AUCMRZJMSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096106319 753787965 /nfs/dbraw/zinc/78/79/65/753787965.db2.gz UUVMEBVCTBZZEK-UKMLZYKCSA-N 1 3 309.454 0.821 20 0 DCADHO COCCN1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696921 753881292 /nfs/dbraw/zinc/88/12/92/753881292.db2.gz YADKUNJLNPANSV-INIZCTEOSA-N 1 3 323.441 0.285 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001128774431 754267849 /nfs/dbraw/zinc/26/78/49/754267849.db2.gz SSMLQWXPLQMVQJ-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001128774431 754267852 /nfs/dbraw/zinc/26/78/52/754267852.db2.gz SSMLQWXPLQMVQJ-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CN(CCC2CC2)C[C@@H]1O ZINC001047441614 754285056 /nfs/dbraw/zinc/28/50/56/754285056.db2.gz JTDRLGXFFSUBIE-HOTGVXAUSA-N 1 3 321.465 0.918 20 0 DCADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472888 754311864 /nfs/dbraw/zinc/31/18/64/754311864.db2.gz MPHRAKUKAARDMF-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047483404 754323218 /nfs/dbraw/zinc/32/32/18/754323218.db2.gz JZZVVWZBEWGZHK-GJZGRUSLSA-N 1 3 309.454 0.774 20 0 DCADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047483404 754323225 /nfs/dbraw/zinc/32/32/25/754323225.db2.gz JZZVVWZBEWGZHK-GJZGRUSLSA-N 1 3 309.454 0.774 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N(CC)CC ZINC001168756401 754433713 /nfs/dbraw/zinc/43/37/13/754433713.db2.gz XNCNWIOPINONSO-UHFFFAOYSA-N 1 3 300.447 0.293 20 0 DCADHO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986041 754564063 /nfs/dbraw/zinc/56/40/63/754564063.db2.gz BHGQKNLBQNZTKK-STQMWFEESA-N 1 3 316.409 0.713 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCNC(=O)NC(C)C ZINC001168762424 754887768 /nfs/dbraw/zinc/88/77/68/754887768.db2.gz BCWMGVWWVBGNDM-UHFFFAOYSA-N 1 3 315.462 0.132 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829023 754965602 /nfs/dbraw/zinc/96/56/02/754965602.db2.gz HBRSAWGZLRIQOK-VVLHAWIVSA-N 1 3 321.465 0.896 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829023 754965604 /nfs/dbraw/zinc/96/56/04/754965604.db2.gz HBRSAWGZLRIQOK-VVLHAWIVSA-N 1 3 321.465 0.896 20 0 DCADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001048875535 754991370 /nfs/dbraw/zinc/99/13/70/754991370.db2.gz BEOKVNBGEKWFLS-KBXIAJHMSA-N 1 3 324.469 0.097 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038332 755086850 /nfs/dbraw/zinc/08/68/50/755086850.db2.gz FLSQTIZRNALXMA-LVQVYYBASA-N 1 3 311.470 0.998 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038332 755086859 /nfs/dbraw/zinc/08/68/59/755086859.db2.gz FLSQTIZRNALXMA-LVQVYYBASA-N 1 3 311.470 0.998 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001063100287 755105090 /nfs/dbraw/zinc/10/50/90/755105090.db2.gz JPYBCMDLDCUCDM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001063100287 755105094 /nfs/dbraw/zinc/10/50/94/755105094.db2.gz JPYBCMDLDCUCDM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1 ZINC001063128717 755114191 /nfs/dbraw/zinc/11/41/91/755114191.db2.gz AHBPKLSBJWDYMK-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOC)C[C@@H]2C1 ZINC001049233735 755196015 /nfs/dbraw/zinc/19/60/15/755196015.db2.gz RRPRBUIBODIIEE-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCOC)C[C@@H]2C1 ZINC001049233735 755196017 /nfs/dbraw/zinc/19/60/17/755196017.db2.gz RRPRBUIBODIIEE-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(CNC(=O)CC[NH+](C)C)CCC2)C1 ZINC001064364618 755387827 /nfs/dbraw/zinc/38/78/27/755387827.db2.gz GEXCEAGZFFRXNR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1)C1CCC1 ZINC001064366622 755388269 /nfs/dbraw/zinc/38/82/69/755388269.db2.gz GOCIYTFVCGMSIM-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C ZINC001168764289 755624069 /nfs/dbraw/zinc/62/40/69/755624069.db2.gz XNKKXNDZPPZBRK-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO Cn1cc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001052931994 755871716 /nfs/dbraw/zinc/87/17/16/755871716.db2.gz FHWSONFSCLCBLW-CVEARBPZSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001052931994 755871720 /nfs/dbraw/zinc/87/17/20/755871720.db2.gz FHWSONFSCLCBLW-CVEARBPZSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080149229 756115628 /nfs/dbraw/zinc/11/56/28/756115628.db2.gz XRVXQEAKXVPWQS-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080149229 756115630 /nfs/dbraw/zinc/11/56/30/756115630.db2.gz XRVXQEAKXVPWQS-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054734717 756621243 /nfs/dbraw/zinc/62/12/43/756621243.db2.gz CSJUMIRYMVINLL-ZFWWWQNUSA-N 1 3 320.441 0.199 20 0 DCADHO CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1ccn2cncc2c1 ZINC001081899476 756849014 /nfs/dbraw/zinc/84/90/14/756849014.db2.gz UBNAEYMJURUANM-HUUCEWRRSA-N 1 3 318.377 0.146 20 0 DCADHO CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1ccn2cncc2c1 ZINC001081899476 756849019 /nfs/dbraw/zinc/84/90/19/756849019.db2.gz UBNAEYMJURUANM-HUUCEWRRSA-N 1 3 318.377 0.146 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCn1cccn1 ZINC001082559970 757186985 /nfs/dbraw/zinc/18/69/85/757186985.db2.gz VFCLHQOWFAVNLF-BMFZPTHFSA-N 1 3 319.453 0.660 20 0 DCADHO CCN1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084352211 757798847 /nfs/dbraw/zinc/79/88/47/757798847.db2.gz YDSHYHAJRFYIQM-UKRRQHHQSA-N 1 3 305.426 0.611 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001166744117 757907510 /nfs/dbraw/zinc/90/75/10/757907510.db2.gz IKKAVXWYXZOIDV-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001166744118 757908168 /nfs/dbraw/zinc/90/81/68/757908168.db2.gz IKKAVXWYXZOIDV-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)O)CC2)N(C)C ZINC001050652519 757928406 /nfs/dbraw/zinc/92/84/06/757928406.db2.gz VFOWBCQRHWZNCO-HUUCEWRRSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3c(n2)OCCNC3)O1 ZINC001170272947 762588247 /nfs/dbraw/zinc/58/82/47/762588247.db2.gz MIRZYUVYWBCGJM-XJKCOSOUSA-N 1 3 322.409 0.700 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1)N(C)C ZINC001084964936 758143904 /nfs/dbraw/zinc/14/39/04/758143904.db2.gz YPEREOJUPQZXHK-PMPSAXMXSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1)N(C)C ZINC001084964936 758143911 /nfs/dbraw/zinc/14/39/11/758143911.db2.gz YPEREOJUPQZXHK-PMPSAXMXSA-N 1 3 311.470 0.878 20 0 DCADHO COC[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098224952 762635118 /nfs/dbraw/zinc/63/51/18/762635118.db2.gz NTAOHNAMKYSXLW-YJNKXOJESA-N 1 3 307.438 0.839 20 0 DCADHO Cc1ccc(CNCCNC(=O)COCC[NH+](C)C)c(C)n1 ZINC001147841762 767857439 /nfs/dbraw/zinc/85/74/39/767857439.db2.gz GVCDWJAQLSVDNA-UHFFFAOYSA-N 1 3 308.426 0.482 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900562 767880448 /nfs/dbraw/zinc/88/04/48/767880448.db2.gz QDRJYMVAGVPVIT-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900562 767880455 /nfs/dbraw/zinc/88/04/55/767880455.db2.gz QDRJYMVAGVPVIT-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086152924 759768563 /nfs/dbraw/zinc/76/85/63/759768563.db2.gz PWNWHZJROHIHTE-BCWAKEQVSA-N 1 3 311.401 0.304 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155822229 760180942 /nfs/dbraw/zinc/18/09/42/760180942.db2.gz LIAQSUPMKNULOJ-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@@H](N(C1CC[NH2+]CC1)S(C)(=O)=O)C2 ZINC001169125568 760586986 /nfs/dbraw/zinc/58/69/86/760586986.db2.gz IYQBEKIJGWONQT-WDNDVIMCSA-N 1 3 301.456 0.625 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209318 761136863 /nfs/dbraw/zinc/13/68/63/761136863.db2.gz YOCNDCFUMZQNFF-QLFBSQMISA-N 1 3 320.441 0.370 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(C)(C)CC ZINC001148571026 768016156 /nfs/dbraw/zinc/01/61/56/768016156.db2.gz SEZIKAHWPCYEDJ-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(C)(C)CC ZINC001148571026 768016159 /nfs/dbraw/zinc/01/61/59/768016159.db2.gz SEZIKAHWPCYEDJ-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)C(C)C ZINC001148571103 768016254 /nfs/dbraw/zinc/01/62/54/768016254.db2.gz WGEHJYDCOZISBZ-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)C(C)C ZINC001148571103 768016257 /nfs/dbraw/zinc/01/62/57/768016257.db2.gz WGEHJYDCOZISBZ-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC001148655358 768025201 /nfs/dbraw/zinc/02/52/01/768025201.db2.gz NKFPVHQIXSZBGM-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001071091615 761616665 /nfs/dbraw/zinc/61/66/65/761616665.db2.gz NIHTVTUFPJMWNB-ZBFHGGJFSA-N 1 3 306.410 0.958 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001086551871 761840283 /nfs/dbraw/zinc/84/02/83/761840283.db2.gz OFZOMNPWTMXPRT-FVQBIDKESA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001086551871 761840295 /nfs/dbraw/zinc/84/02/95/761840295.db2.gz OFZOMNPWTMXPRT-FVQBIDKESA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001129422317 762935073 /nfs/dbraw/zinc/93/50/73/762935073.db2.gz HGSULCMXXDBMBC-ZIAGYGMSSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001129422317 762935075 /nfs/dbraw/zinc/93/50/75/762935075.db2.gz HGSULCMXXDBMBC-ZIAGYGMSSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC001129444840 762937072 /nfs/dbraw/zinc/93/70/72/762937072.db2.gz YXGUZDRVRSNWLD-NWDGAFQWSA-N 1 3 305.369 0.457 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535353 762961396 /nfs/dbraw/zinc/96/13/96/762961396.db2.gz NZCPYASTNBNJEN-OAHLLOKOSA-N 1 3 315.458 0.210 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535505 762961700 /nfs/dbraw/zinc/96/17/00/762961700.db2.gz VITRFHXCFYXESS-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO COC[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753234 770168073 /nfs/dbraw/zinc/16/80/73/770168073.db2.gz DBISTLMBKLTGBS-LSDHHAIUSA-N 1 3 317.474 0.599 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129855077 763024948 /nfs/dbraw/zinc/02/49/48/763024948.db2.gz CCEKSZIRXRQSQW-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129855077 763024951 /nfs/dbraw/zinc/02/49/51/763024951.db2.gz CCEKSZIRXRQSQW-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856347 763025951 /nfs/dbraw/zinc/02/59/51/763025951.db2.gz PSNHLKYVIZSJFV-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856347 763025957 /nfs/dbraw/zinc/02/59/57/763025957.db2.gz PSNHLKYVIZSJFV-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO COCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 ZINC001099872082 763090116 /nfs/dbraw/zinc/09/01/16/763090116.db2.gz OKFUZZPICNCANM-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H](O)C1 ZINC001099872082 763090122 /nfs/dbraw/zinc/09/01/22/763090122.db2.gz OKFUZZPICNCANM-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O)C1CCC1 ZINC001099879062 763094652 /nfs/dbraw/zinc/09/46/52/763094652.db2.gz FAJNANFHELZQCK-UONOGXRCSA-N 1 3 301.406 0.382 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O)C1CCC1 ZINC001099879062 763094659 /nfs/dbraw/zinc/09/46/59/763094659.db2.gz FAJNANFHELZQCK-UONOGXRCSA-N 1 3 301.406 0.382 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1)N(C)C ZINC001130200207 763184010 /nfs/dbraw/zinc/18/40/10/763184010.db2.gz GDERWULXVRPDNA-CABCVRRESA-N 1 3 311.401 0.905 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001099986791 763189284 /nfs/dbraw/zinc/18/92/84/763189284.db2.gz PLRFNSAQCYOACG-STQMWFEESA-N 1 3 319.396 0.535 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157945167 763260077 /nfs/dbraw/zinc/26/00/77/763260077.db2.gz KNELNEGFCNSQOB-OFQRWUPVSA-N 1 3 315.458 0.074 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421728 763293827 /nfs/dbraw/zinc/29/38/27/763293827.db2.gz HLNJAUYPZILDLF-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421728 763293830 /nfs/dbraw/zinc/29/38/30/763293830.db2.gz HLNJAUYPZILDLF-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001130427335 763297646 /nfs/dbraw/zinc/29/76/46/763297646.db2.gz LXTAAJROKVULGS-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001130427335 763297655 /nfs/dbraw/zinc/29/76/55/763297655.db2.gz LXTAAJROKVULGS-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(C)(C)C ZINC001130418923 763304450 /nfs/dbraw/zinc/30/44/50/763304450.db2.gz CLZQPCLSXWVQSI-UHFFFAOYSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(C)(C)C ZINC001130418923 763304457 /nfs/dbraw/zinc/30/44/57/763304457.db2.gz CLZQPCLSXWVQSI-UHFFFAOYSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972172 770264343 /nfs/dbraw/zinc/26/43/43/770264343.db2.gz PIRVVPLNBJDMNN-ZDUSSCGKSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100676569 763716867 /nfs/dbraw/zinc/71/68/67/763716867.db2.gz PQSXLQZBWYTYFN-HSBZDZAISA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCc2ccnn2C)C1 ZINC001100769609 763775333 /nfs/dbraw/zinc/77/53/33/763775333.db2.gz RPXWAQAAIBOEAA-UHFFFAOYSA-N 1 3 321.469 0.789 20 0 DCADHO CSc1nc(N[C@H](C)[C@H]2CNCCO2)cc(C2C[NH2+]C2)n1 ZINC001170565675 763842943 /nfs/dbraw/zinc/84/29/43/763842943.db2.gz WBXUYQHJFYXQCW-BXKDBHETSA-N 1 3 309.439 0.674 20 0 DCADHO CC(C)(C)CC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519977 763844920 /nfs/dbraw/zinc/84/49/20/763844920.db2.gz PLYISECSLQBHPY-UUCFBXCCSA-N 1 3 309.454 0.992 20 0 DCADHO O=C(NCC[NH2+]C[C@H]1CCCCO1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521582 763846390 /nfs/dbraw/zinc/84/63/90/763846390.db2.gz BZJURFHWENCGKG-GYMHETDLSA-N 1 3 323.437 0.125 20 0 DCADHO CCN1CC[C@H]([NH2+]C2CC(CNC(=O)CN(C)C(C)C)C2)C1=O ZINC001101036509 763930617 /nfs/dbraw/zinc/93/06/17/763930617.db2.gz RFNMRUSOXOLFLJ-NRXISQOPSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131790590 764013764 /nfs/dbraw/zinc/01/37/64/764013764.db2.gz QHNQMYGNMUMSFF-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131790538 764013838 /nfs/dbraw/zinc/01/38/38/764013838.db2.gz PALMPSDIACXPSM-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790314 764013855 /nfs/dbraw/zinc/01/38/55/764013855.db2.gz LGCLLKMTIMBMBA-MRXNPFEDSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC(N)=O)CC1 ZINC001101522298 764131876 /nfs/dbraw/zinc/13/18/76/764131876.db2.gz UTACAPQTKFXFGJ-CQSZACIVSA-N 1 3 324.469 0.420 20 0 DCADHO CCOCCN1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426029 764452670 /nfs/dbraw/zinc/45/26/70/764452670.db2.gz QWJFLRWRXPOCAE-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001132737432 764614161 /nfs/dbraw/zinc/61/41/61/764614161.db2.gz MBPFCDPWIRRJNN-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001132737432 764614164 /nfs/dbraw/zinc/61/41/64/764614164.db2.gz MBPFCDPWIRRJNN-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001102475656 764658078 /nfs/dbraw/zinc/65/80/78/764658078.db2.gz YJJHMGAHTBVLMQ-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1C ZINC001102475656 764658080 /nfs/dbraw/zinc/65/80/80/764658080.db2.gz YJJHMGAHTBVLMQ-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102495818 764667694 /nfs/dbraw/zinc/66/76/94/764667694.db2.gz OUCQGPGXJZZXNN-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccnn2C)C[C@H]1C ZINC001102495818 764667695 /nfs/dbraw/zinc/66/76/95/764667695.db2.gz OUCQGPGXJZZXNN-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1C ZINC001102497211 764668866 /nfs/dbraw/zinc/66/88/66/764668866.db2.gz GXHTWQTZCACXKB-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1C ZINC001102497211 764668873 /nfs/dbraw/zinc/66/88/73/764668873.db2.gz GXHTWQTZCACXKB-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1C ZINC001102525161 764679602 /nfs/dbraw/zinc/67/96/02/764679602.db2.gz NUGLAJHARYQOHE-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1C ZINC001102525161 764679607 /nfs/dbraw/zinc/67/96/07/764679607.db2.gz NUGLAJHARYQOHE-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001132886916 764708703 /nfs/dbraw/zinc/70/87/03/764708703.db2.gz WCYQMEWMVMMSQM-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC2CCCC2)CC[N@H+]1C ZINC001132886916 764708713 /nfs/dbraw/zinc/70/87/13/764708713.db2.gz WCYQMEWMVMMSQM-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001132893449 764713934 /nfs/dbraw/zinc/71/39/34/764713934.db2.gz REEWFSIEIPCXBK-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001132893449 764713944 /nfs/dbraw/zinc/71/39/44/764713944.db2.gz REEWFSIEIPCXBK-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001132893478 764714495 /nfs/dbraw/zinc/71/44/95/764714495.db2.gz SJXNBOITCMQMDL-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001132893478 764714501 /nfs/dbraw/zinc/71/45/01/764714501.db2.gz SJXNBOITCMQMDL-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994977 764782884 /nfs/dbraw/zinc/78/28/84/764782884.db2.gz IFDDWURZZWJZRL-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]2C)[nH]1 ZINC001133092042 764823576 /nfs/dbraw/zinc/82/35/76/764823576.db2.gz XYVWEJGQNZYNMA-TZMCWYRMSA-N 1 3 322.457 0.639 20 0 DCADHO C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CCO ZINC001133120817 764835992 /nfs/dbraw/zinc/83/59/92/764835992.db2.gz BJJONLZNDLWTBW-GJZGRUSLSA-N 1 3 311.470 0.785 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001102977276 764881233 /nfs/dbraw/zinc/88/12/33/764881233.db2.gz UCDMRMVHNQUUKX-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001102977276 764881243 /nfs/dbraw/zinc/88/12/43/764881243.db2.gz UCDMRMVHNQUUKX-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285938 764905868 /nfs/dbraw/zinc/90/58/68/764905868.db2.gz PCXBYNDTNATBBF-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001133288298 764906913 /nfs/dbraw/zinc/90/69/13/764906913.db2.gz USLXUEQKHDRADT-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001133415570 764957211 /nfs/dbraw/zinc/95/72/11/764957211.db2.gz DRYGDNYRKZPJDS-CQSZACIVSA-N 1 3 311.430 0.603 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)cn1 ZINC001133418689 764958770 /nfs/dbraw/zinc/95/87/70/764958770.db2.gz CVEWRSWKUHPUFT-OAHLLOKOSA-N 1 3 309.458 0.738 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCO[C@H]1CCOC1)N(C)C ZINC001133434018 764967621 /nfs/dbraw/zinc/96/76/21/764967621.db2.gz HMGXOWBYLJKVQK-LSDHHAIUSA-N 1 3 315.458 0.474 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCN(C2CCC2)C1=O)[NH+](C)C ZINC001133434219 764968200 /nfs/dbraw/zinc/96/82/00/764968200.db2.gz LVSYFGJWMCDKOG-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1 ZINC001133834261 765165099 /nfs/dbraw/zinc/16/50/99/765165099.db2.gz SIXCROGEOREVSY-AWEZNQCLSA-N 1 3 319.453 0.838 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001133845361 765178870 /nfs/dbraw/zinc/17/88/70/765178870.db2.gz CJCZINGZBXPLQV-ZDUSSCGKSA-N 1 3 312.458 0.196 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001133845361 765178873 /nfs/dbraw/zinc/17/88/73/765178873.db2.gz CJCZINGZBXPLQV-ZDUSSCGKSA-N 1 3 312.458 0.196 20 0 DCADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC1CCCC1 ZINC001133849593 765181253 /nfs/dbraw/zinc/18/12/53/765181253.db2.gz AFIZBFUFGBNFJT-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC1CCCC1 ZINC001133849593 765181254 /nfs/dbraw/zinc/18/12/54/765181254.db2.gz AFIZBFUFGBNFJT-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001133866777 765192869 /nfs/dbraw/zinc/19/28/69/765192869.db2.gz PGDOQKWDNSPGDS-UKRRQHHQSA-N 1 3 319.453 0.551 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001133866777 765192874 /nfs/dbraw/zinc/19/28/74/765192874.db2.gz PGDOQKWDNSPGDS-UKRRQHHQSA-N 1 3 319.453 0.551 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001133896314 765214543 /nfs/dbraw/zinc/21/45/43/765214543.db2.gz IJXHXGYSGGADFX-CYBMUJFWSA-N 1 3 320.441 0.203 20 0 DCADHO CN(CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)CC(C)(C)C ZINC001133905991 765219197 /nfs/dbraw/zinc/21/91/97/765219197.db2.gz LVVUEMFTKFQKOV-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001111952737 765437205 /nfs/dbraw/zinc/43/72/05/765437205.db2.gz XSTPGOIMARBARY-ZQIUZPCESA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111952737 765437209 /nfs/dbraw/zinc/43/72/09/765437209.db2.gz XSTPGOIMARBARY-ZQIUZPCESA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1)C1CC1 ZINC001112399374 765524576 /nfs/dbraw/zinc/52/45/76/765524576.db2.gz QRZSGOJTMXOHDG-JZXOWHBKSA-N 1 3 323.481 0.927 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001115070582 765575543 /nfs/dbraw/zinc/57/55/43/765575543.db2.gz CPPYYZIFJGYYCV-FOLVSLTJSA-N 1 3 305.426 0.271 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001115070582 765575552 /nfs/dbraw/zinc/57/55/52/765575552.db2.gz CPPYYZIFJGYYCV-FOLVSLTJSA-N 1 3 305.426 0.271 20 0 DCADHO CC(=O)Nc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCCN2C)c1 ZINC001124837249 768311839 /nfs/dbraw/zinc/31/18/39/768311839.db2.gz LACZZWCKLUAHEJ-INIZCTEOSA-N 1 3 318.421 0.945 20 0 DCADHO CC(C)N1CCN(c2ccc(N[C@H]3C[NH2+]C[C@H]3CO)cn2)CC1 ZINC001170778252 765725959 /nfs/dbraw/zinc/72/59/59/765725959.db2.gz GDEOFZQWMRYZTQ-HOCLYGCPSA-N 1 3 319.453 0.604 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135436931 765932848 /nfs/dbraw/zinc/93/28/48/765932848.db2.gz GQKAVRWHMHAKKH-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCC(C)C ZINC001135513111 765965921 /nfs/dbraw/zinc/96/59/21/765965921.db2.gz GWXWMVCLRNIOBP-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)N(CC)CC ZINC001135512952 765965934 /nfs/dbraw/zinc/96/59/34/765965934.db2.gz CDAWDDQJIWBIJK-CYBMUJFWSA-N 1 3 300.447 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135743389 766085025 /nfs/dbraw/zinc/08/50/25/766085025.db2.gz JTNZKMPRMSSRCW-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743744 766085475 /nfs/dbraw/zinc/08/54/75/766085475.db2.gz PASMVALPIXECSY-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853160 766286664 /nfs/dbraw/zinc/28/66/64/766286664.db2.gz ABTHRQAINWHAIS-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CCN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090575870 766332399 /nfs/dbraw/zinc/33/23/99/766332399.db2.gz IJEUVJGCGHJBTH-SJORKVTESA-N 1 3 319.449 0.976 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N1CCCCC1 ZINC001119341693 766637807 /nfs/dbraw/zinc/63/78/07/766637807.db2.gz DFBXCPVBYBMNDZ-GRDNDAEWSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+]1CC2(CN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 ZINC001143669453 766693670 /nfs/dbraw/zinc/69/36/70/766693670.db2.gz HTQNVOHHDQRQFF-HOTGVXAUSA-N 1 3 315.417 0.396 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(c2cnn(C3CC[NH+](C)CC3)c2)C1=O ZINC001119631122 766754598 /nfs/dbraw/zinc/75/45/98/766754598.db2.gz OGPSYLCQYORPKO-ZDUSSCGKSA-N 1 3 320.397 0.136 20 0 DCADHO CCC[NH2+]C1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001091151389 766961755 /nfs/dbraw/zinc/96/17/55/766961755.db2.gz WACNCIPIYVZXEZ-RDVIWEACSA-N 1 3 307.438 0.744 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120440270 767015066 /nfs/dbraw/zinc/01/50/66/767015066.db2.gz MDTUNZUOBREUBO-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120440270 767015076 /nfs/dbraw/zinc/01/50/76/767015076.db2.gz MDTUNZUOBREUBO-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO [NH3+]CCCCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001120544836 767072694 /nfs/dbraw/zinc/07/26/94/767072694.db2.gz DAXCLKMMPQYQDE-LSDHHAIUSA-N 1 3 312.458 0.746 20 0 DCADHO CS(=O)(=O)CC[NH2+]CC1CCN(C2CCOCC2)CC1 ZINC001120589735 767087427 /nfs/dbraw/zinc/08/74/27/767087427.db2.gz QPSDCOSTDNAXTH-UHFFFAOYSA-N 1 3 304.456 0.512 20 0 DCADHO Cc1nccnc1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091364869 767213168 /nfs/dbraw/zinc/21/31/68/767213168.db2.gz QILNAZTXOBJPPQ-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091364869 767213172 /nfs/dbraw/zinc/21/31/72/767213172.db2.gz QILNAZTXOBJPPQ-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CNC2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001091365209 767213279 /nfs/dbraw/zinc/21/32/79/767213279.db2.gz SPFXNGDKXIXTJB-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CNC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001091365209 767213284 /nfs/dbraw/zinc/21/32/84/767213284.db2.gz SPFXNGDKXIXTJB-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121246382 767479762 /nfs/dbraw/zinc/47/97/62/767479762.db2.gz NTPYZLYHSWYPAT-NOQXZCMRSA-N 1 3 309.454 0.724 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(N)=O ZINC001146581486 767483105 /nfs/dbraw/zinc/48/31/05/767483105.db2.gz CFZJJWBLFULHDE-OLZOCXBDSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001146581487 767483584 /nfs/dbraw/zinc/48/35/84/767483584.db2.gz CFZJJWBLFULHDE-QWHCGFSZSA-N 1 3 320.437 0.720 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001146705165 767498181 /nfs/dbraw/zinc/49/81/81/767498181.db2.gz NOMYGZWVHRLXCI-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001146705165 767498185 /nfs/dbraw/zinc/49/81/85/767498185.db2.gz NOMYGZWVHRLXCI-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1 ZINC001121799017 767637226 /nfs/dbraw/zinc/63/72/26/767637226.db2.gz XQUJTCQBDZYGKT-XJIRZWNVSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1nccc1CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333238 767712726 /nfs/dbraw/zinc/71/27/26/767712726.db2.gz GWYVVBOTGWUNFB-UHFFFAOYSA-N 1 3 319.453 0.748 20 0 DCADHO CC[C@H](NCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001147340113 767713279 /nfs/dbraw/zinc/71/32/79/767713279.db2.gz LHHCTMZINKLONY-AWEZNQCLSA-N 1 3 310.442 0.078 20 0 DCADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC001202833360 768420323 /nfs/dbraw/zinc/42/03/23/768420323.db2.gz VOJMGJSHXSFUJO-SOLBZPMBSA-N 1 3 321.465 0.945 20 0 DCADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC001202833360 768420331 /nfs/dbraw/zinc/42/03/31/768420331.db2.gz VOJMGJSHXSFUJO-SOLBZPMBSA-N 1 3 321.465 0.945 20 0 DCADHO O=C([C@@H]1CC2CCN1CC2)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001142629353 768654457 /nfs/dbraw/zinc/65/44/57/768654457.db2.gz RVOZXCITUYADRK-BBWFWOEESA-N 1 3 319.449 0.792 20 0 DCADHO O=C([C@@H]1CC2CCN1CC2)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001142629353 768654459 /nfs/dbraw/zinc/65/44/59/768654459.db2.gz RVOZXCITUYADRK-BBWFWOEESA-N 1 3 319.449 0.792 20 0 DCADHO CCOCCN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240961 769045608 /nfs/dbraw/zinc/04/56/08/769045608.db2.gz JZWLPXLRNGTRLJ-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151043993 769244061 /nfs/dbraw/zinc/24/40/61/769244061.db2.gz KAYBTZHBXXCENP-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151043993 769244066 /nfs/dbraw/zinc/24/40/66/769244066.db2.gz KAYBTZHBXXCENP-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001171770633 769372408 /nfs/dbraw/zinc/37/24/08/769372408.db2.gz VUJQZUNYEBKAEK-OAHLLOKOSA-N 1 3 315.458 0.620 20 0 DCADHO O=C1CC[C@H]2C[C@@H](N3CCN(CC[NH+]4CCCC4)CC3)CCN12 ZINC001172180240 769455315 /nfs/dbraw/zinc/45/53/15/769455315.db2.gz SCNYRRYMVFTHQJ-IRXDYDNUSA-N 1 3 320.481 0.853 20 0 DCADHO COCCC[NH+]1CCC(NCCNC(=O)c2ccncc2)CC1 ZINC001172242388 769463862 /nfs/dbraw/zinc/46/38/62/769463862.db2.gz AMSMIECKMGHJGC-UHFFFAOYSA-N 1 3 320.437 0.902 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])N[C@H]1COc2cccc(OC)c2C1 ZINC001173159200 769551265 /nfs/dbraw/zinc/55/12/65/769551265.db2.gz GATDYWRYLHNBGR-OCCSQVGLSA-N 1 3 321.421 0.832 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001152452182 769561497 /nfs/dbraw/zinc/56/14/97/769561497.db2.gz VVNKCPWYSLVHEG-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([N@H+](CCCN)C(C)C)C[C@@H]1C(=O)OC ZINC001173566487 769657563 /nfs/dbraw/zinc/65/75/63/769657563.db2.gz LSBRTPJNWQJYGH-CLLJXQQHSA-N 1 3 300.399 0.786 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([N@@H+](CCCN)C(C)C)C[C@@H]1C(=O)OC ZINC001173566487 769657565 /nfs/dbraw/zinc/65/75/65/769657565.db2.gz LSBRTPJNWQJYGH-CLLJXQQHSA-N 1 3 300.399 0.786 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)C[C@@H]1C(=O)OC ZINC001173568593 769662182 /nfs/dbraw/zinc/66/21/82/769662182.db2.gz YSEVRKVNQRVOGR-YIYPIFLZSA-N 1 3 312.410 0.801 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291197 769728018 /nfs/dbraw/zinc/72/80/18/769728018.db2.gz LGPQDQQDJYASMC-HUUCEWRRSA-N 1 3 315.458 0.426 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)NCCNCC(=O)NC1CC1 ZINC001153314345 769780870 /nfs/dbraw/zinc/78/08/70/769780870.db2.gz JCYOHPSKWFMCQE-UHFFFAOYSA-N 1 3 310.442 0.237 20 0 DCADHO CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175318024 769886748 /nfs/dbraw/zinc/88/67/48/769886748.db2.gz UOCVPNOPIRDCFT-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CN(C)C(=O)COCc1ncn2c1CN(CCCC[NH3+])CCC2 ZINC001235553949 769887486 /nfs/dbraw/zinc/88/74/86/769887486.db2.gz CHVOQTTZWVYHQE-UHFFFAOYSA-N 1 3 323.441 0.433 20 0 DCADHO CN1CCN(C[C@@H]2Cn3ccnc3CN(CCCC[NH3+])C2)CC1 ZINC001235618599 769915979 /nfs/dbraw/zinc/91/59/79/769915979.db2.gz ZFLTUDIKFMGDIX-INIZCTEOSA-N 1 3 320.485 0.301 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cnc(C)cn3)C[C@H]1C2 ZINC001236021630 769968394 /nfs/dbraw/zinc/96/83/94/769968394.db2.gz GCOSTXJNIIBMRR-JWDQPFGJSA-N 1 3 316.405 0.616 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001176058132 770026737 /nfs/dbraw/zinc/02/67/37/770026737.db2.gz VHCJIOIIQYZHPZ-CYBMUJFWSA-N 1 3 305.426 0.377 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001176058132 770026755 /nfs/dbraw/zinc/02/67/55/770026755.db2.gz VHCJIOIIQYZHPZ-CYBMUJFWSA-N 1 3 305.426 0.377 20 0 DCADHO CC(=O)N1CCc2cc(C(=O)N(CCCC[NH3+])C(=N)N)ccc21 ZINC001154277174 770128138 /nfs/dbraw/zinc/12/81/38/770128138.db2.gz CEYSBWSSGBGTGI-UHFFFAOYSA-N 1 3 317.393 0.670 20 0 DCADHO [NH3+]CCS(=O)(=O)N1C[C@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC001239075283 770174405 /nfs/dbraw/zinc/17/44/05/770174405.db2.gz RXBYUMDATPOWPY-VXGBXAGGSA-N 1 3 315.464 0.400 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCCNC(=O)CN(C)C(C)C)n1 ZINC001176975019 770266611 /nfs/dbraw/zinc/26/66/11/770266611.db2.gz HIEXTKPGNYHIJC-UHFFFAOYSA-N 1 3 309.458 0.936 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc2c(n1)CCNC2 ZINC001155226525 770439143 /nfs/dbraw/zinc/43/91/43/770439143.db2.gz CDCWIKNEQUCWNU-AWEZNQCLSA-N 1 3 321.425 0.665 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237757 770447027 /nfs/dbraw/zinc/44/70/27/770447027.db2.gz INUFDYWQQDRNEB-HUUCEWRRSA-N 1 3 315.458 0.164 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155237757 770447030 /nfs/dbraw/zinc/44/70/30/770447030.db2.gz INUFDYWQQDRNEB-HUUCEWRRSA-N 1 3 315.458 0.164 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001178815896 770885136 /nfs/dbraw/zinc/88/51/36/770885136.db2.gz NKKUNRMEJDGPQX-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)[C@@H]1C ZINC001179763394 771013100 /nfs/dbraw/zinc/01/31/00/771013100.db2.gz KWCRPYBENBEHAH-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001179852583 771023276 /nfs/dbraw/zinc/02/32/76/771023276.db2.gz WNSYLWFTHUYVPV-YDHLFZDLSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001179852583 771023282 /nfs/dbraw/zinc/02/32/82/771023282.db2.gz WNSYLWFTHUYVPV-YDHLFZDLSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC ZINC001179850378 771024142 /nfs/dbraw/zinc/02/41/42/771024142.db2.gz CANOROVDJRZSML-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929631 771036104 /nfs/dbraw/zinc/03/61/04/771036104.db2.gz RQUXWYZKVXNTED-KBPBESRZSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179936136 771036514 /nfs/dbraw/zinc/03/65/14/771036514.db2.gz MLKDBFHSRXRLHQ-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179936136 771036519 /nfs/dbraw/zinc/03/65/19/771036519.db2.gz MLKDBFHSRXRLHQ-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001179983355 771043298 /nfs/dbraw/zinc/04/32/98/771043298.db2.gz XQCOYYVXTVHPBE-IPYPFGDCSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001179968096 771048808 /nfs/dbraw/zinc/04/88/08/771048808.db2.gz MGJTUKDBBJTAAA-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(=O)N(C)C ZINC001180131574 771060902 /nfs/dbraw/zinc/06/09/02/771060902.db2.gz GYBALFNQZPYMTC-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124755 771066517 /nfs/dbraw/zinc/06/65/17/771066517.db2.gz RCFLRHQSKIEBIH-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124755 771066520 /nfs/dbraw/zinc/06/65/20/771066520.db2.gz RCFLRHQSKIEBIH-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@@H]1C ZINC001180221572 771076164 /nfs/dbraw/zinc/07/61/64/771076164.db2.gz ALCUDMLQWZNTFM-ZFWWWQNUSA-N 1 3 307.442 0.839 20 0 DCADHO CC(C)N(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001151048625 771308546 /nfs/dbraw/zinc/30/85/46/771308546.db2.gz CUEAEKAOMCELOK-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001151048625 771308550 /nfs/dbraw/zinc/30/85/50/771308550.db2.gz CUEAEKAOMCELOK-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001181671088 771329040 /nfs/dbraw/zinc/32/90/40/771329040.db2.gz JSEMZUPPQWKCTB-BFYDXBDKSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473298 771497251 /nfs/dbraw/zinc/49/72/51/771497251.db2.gz PEWBTCCHIUQZLT-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473298 771497253 /nfs/dbraw/zinc/49/72/53/771497253.db2.gz PEWBTCCHIUQZLT-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001183039334 771596036 /nfs/dbraw/zinc/59/60/36/771596036.db2.gz HJCLFSDWFXASCU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001183039334 771596040 /nfs/dbraw/zinc/59/60/40/771596040.db2.gz HJCLFSDWFXASCU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521984 771625333 /nfs/dbraw/zinc/62/53/33/771625333.db2.gz MRRGVQYOFXFODO-QMMMGPOBSA-N 1 3 320.319 0.095 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240660 771627995 /nfs/dbraw/zinc/62/79/95/771627995.db2.gz OXRAWLWQBGYTRM-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240660 771628000 /nfs/dbraw/zinc/62/80/00/771628000.db2.gz OXRAWLWQBGYTRM-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO c1cnc(N(c2cc3c(nn2)CCNC3)C2CC[NH2+]CC2)cn1 ZINC001157541710 771629468 /nfs/dbraw/zinc/62/94/68/771629468.db2.gz OZGFZKMIZVETQO-UHFFFAOYSA-N 1 3 311.393 0.802 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289484 771632848 /nfs/dbraw/zinc/63/28/48/771632848.db2.gz ZQMOXACNIUQMHB-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO N[C@@]1(C(=O)N2CCN(CC3CCCCC3)CC2)CCC[NH2+]C1 ZINC001157579508 771636530 /nfs/dbraw/zinc/63/65/30/771636530.db2.gz NXBSBKYTCGCOPI-KRWDZBQOSA-N 1 3 308.470 0.792 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576450 771670088 /nfs/dbraw/zinc/67/00/88/771670088.db2.gz NGVJOUJBSKKWCF-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+]1CCC(CN2CCN(c3cc(C(N)=O)ccn3)CC2)CC1 ZINC001157837238 771678513 /nfs/dbraw/zinc/67/85/13/771678513.db2.gz QLDBHGAXQXDBKB-UHFFFAOYSA-N 1 3 317.437 0.644 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935154 771696383 /nfs/dbraw/zinc/69/63/83/771696383.db2.gz SIFVBDBLRKPRCP-DZGCQCFKSA-N 1 3 303.422 0.759 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(OC2CCC2)CC1 ZINC001157960041 771703453 /nfs/dbraw/zinc/70/34/53/771703453.db2.gz HESHPYSIMMBQOW-ZDUSSCGKSA-N 1 3 301.456 0.566 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158030248 771716246 /nfs/dbraw/zinc/71/62/46/771716246.db2.gz RHSNYXIMVDVJEF-GJZGRUSLSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158030248 771716247 /nfs/dbraw/zinc/71/62/47/771716247.db2.gz RHSNYXIMVDVJEF-GJZGRUSLSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)(C(=O)NCCC[NH2+][C@@H]1CCNC1=O)N1CCCCC1 ZINC001158074283 771722049 /nfs/dbraw/zinc/72/20/49/771722049.db2.gz YBJWWFSMGMQQEW-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158180233 771735479 /nfs/dbraw/zinc/73/54/79/771735479.db2.gz WAPFTIVWMNHMJH-AGIUHOORSA-N 1 3 302.378 0.247 20 0 DCADHO Cn1cnc2c1ncnc2N1CCC([N@@H+]2CC[C@@H](N)C2)CC1 ZINC001158258509 771748143 /nfs/dbraw/zinc/74/81/43/771748143.db2.gz BADCVGLEOHQVLC-LLVKDONJSA-N 1 3 301.398 0.365 20 0 DCADHO Cn1cnc2c1ncnc2N1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001158258509 771748148 /nfs/dbraw/zinc/74/81/48/771748148.db2.gz BADCVGLEOHQVLC-LLVKDONJSA-N 1 3 301.398 0.365 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422160 771772110 /nfs/dbraw/zinc/77/21/10/771772110.db2.gz IDJFVEZVKYKXKH-XHSDSOJGSA-N 1 3 303.406 0.883 20 0 DCADHO CN[C@H](C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)c1ccccc1 ZINC001158532327 771785697 /nfs/dbraw/zinc/78/56/97/771785697.db2.gz ATFKJCPMHMEHOT-XLMAVXFVSA-N 1 3 315.417 0.927 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184577847 771801372 /nfs/dbraw/zinc/80/13/72/771801372.db2.gz PJNPMHYOSFEUKS-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184629261 771808490 /nfs/dbraw/zinc/80/84/90/771808490.db2.gz VKJMHRMPRJXBTH-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001184713714 771816766 /nfs/dbraw/zinc/81/67/66/771816766.db2.gz TZEZCSNAPFPRNG-OLZOCXBDSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001184807120 771824114 /nfs/dbraw/zinc/82/41/14/771824114.db2.gz VHTJSNSRYVQAHS-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCOC(=O)C1=C(Nc2ncc3c(n2)CCNC3)CC[NH2+]C1 ZINC001159453433 771912796 /nfs/dbraw/zinc/91/27/96/771912796.db2.gz QTVGBANOZBMRBS-UHFFFAOYSA-N 1 3 303.366 0.345 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001185455834 771918134 /nfs/dbraw/zinc/91/81/34/771918134.db2.gz SUSJXAAMVKSUJY-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](Nc1ccc(OCC2CC[NH2+]CC2)nn1)[C@@H]1CNCCO1 ZINC001159501091 771920147 /nfs/dbraw/zinc/92/01/47/771920147.db2.gz GZDGIWZWQUSZLY-JSGCOSHPSA-N 1 3 321.425 0.644 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185610497 771935244 /nfs/dbraw/zinc/93/52/44/771935244.db2.gz YMHRRQXJGZTURS-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001185668613 771945837 /nfs/dbraw/zinc/94/58/37/771945837.db2.gz FESLYEKYMQOODB-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001185668613 771945841 /nfs/dbraw/zinc/94/58/41/771945841.db2.gz FESLYEKYMQOODB-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cnc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cn1 ZINC001159861660 771970006 /nfs/dbraw/zinc/97/00/06/771970006.db2.gz PXYBQOWRMFYHEZ-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCN1CCCC1=O)C1CCC1 ZINC001160003547 771987315 /nfs/dbraw/zinc/98/73/15/771987315.db2.gz UNHCHUAFMNTVDG-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO COC[C@@H]1COCCC12CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001160057061 771992675 /nfs/dbraw/zinc/99/26/75/771992675.db2.gz FIEDSCOQTDRMGN-KGLIPLIRSA-N 1 3 313.442 0.344 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCCO)CC1)C1CC1 ZINC001160367976 772029202 /nfs/dbraw/zinc/02/92/02/772029202.db2.gz WWIXLNGCDQCHPK-MRXNPFEDSA-N 1 3 309.454 0.847 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCCO)CC1)C1CC1 ZINC001160367976 772029207 /nfs/dbraw/zinc/02/92/07/772029207.db2.gz WWIXLNGCDQCHPK-MRXNPFEDSA-N 1 3 309.454 0.847 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160420363 772034851 /nfs/dbraw/zinc/03/48/51/772034851.db2.gz BDAWSGMPSLZYJI-AWEZNQCLSA-N 1 3 300.447 0.147 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001160420392 772034997 /nfs/dbraw/zinc/03/49/97/772034997.db2.gz CWHRAZMQYDAPAR-AWEZNQCLSA-N 1 3 323.441 0.667 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001160427767 772035866 /nfs/dbraw/zinc/03/58/66/772035866.db2.gz SNPBSAPIZRMQNT-OLZOCXBDSA-N 1 3 300.447 0.145 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427320 772035976 /nfs/dbraw/zinc/03/59/76/772035976.db2.gz PKPHJCHHNUQFIG-AWEZNQCLSA-N 1 3 303.447 0.332 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001160449016 772041733 /nfs/dbraw/zinc/04/17/33/772041733.db2.gz TTYPAQIEKWFBKQ-KBPBESRZSA-N 1 3 310.442 0.304 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001186488684 772046088 /nfs/dbraw/zinc/04/60/88/772046088.db2.gz RNLXKQRVUSCGAK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554440 772054499 /nfs/dbraw/zinc/05/44/99/772054499.db2.gz DOHCWFUBWZKIJL-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555776 772054606 /nfs/dbraw/zinc/05/46/06/772054606.db2.gz XEYUDYXVRLDJMD-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCOC(=O)C12CC(C(=O)N(CCN(CC)CC)C(N)=[NH2+])(C1)C2 ZINC001186568424 772057070 /nfs/dbraw/zinc/05/70/70/772057070.db2.gz UDTNPPXJJDEVHP-UHFFFAOYSA-N 1 3 324.425 0.784 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@H](c2ccccc2F)C1 ZINC001160534980 772059934 /nfs/dbraw/zinc/05/99/34/772059934.db2.gz MDBLDBOJECFKKE-GXTWGEPZSA-N 1 3 303.381 0.951 20 0 DCADHO Cn1cc2c(n1)CCN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001160559029 772065157 /nfs/dbraw/zinc/06/51/57/772065157.db2.gz ZLRSRAHLQFWNAR-AWEZNQCLSA-N 1 3 303.410 0.179 20 0 DCADHO Cn1cc2c(n1)CCN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001160559029 772065163 /nfs/dbraw/zinc/06/51/63/772065163.db2.gz ZLRSRAHLQFWNAR-AWEZNQCLSA-N 1 3 303.410 0.179 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2cccc3n[nH]cc32)CC1 ZINC001160668171 772091338 /nfs/dbraw/zinc/09/13/38/772091338.db2.gz PODZIPYHXJBUNV-ZDUSSCGKSA-N 1 3 316.409 0.278 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001186833319 772092088 /nfs/dbraw/zinc/09/20/88/772092088.db2.gz FOSSPDOKIHYJDF-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001186833319 772092095 /nfs/dbraw/zinc/09/20/95/772092095.db2.gz FOSSPDOKIHYJDF-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824996 772097226 /nfs/dbraw/zinc/09/72/26/772097226.db2.gz UGPKEJPFKKOWDW-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824996 772097230 /nfs/dbraw/zinc/09/72/30/772097230.db2.gz UGPKEJPFKKOWDW-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCc1noc([C@H]2CCCN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)n1 ZINC001160741013 772104328 /nfs/dbraw/zinc/10/43/28/772104328.db2.gz DYPZGGSKDNZZMX-GXTWGEPZSA-N 1 3 321.425 0.665 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001161049288 772158661 /nfs/dbraw/zinc/15/86/61/772158661.db2.gz FJCBKBJQIJWEPK-YDHLFZDLSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001161049288 772158663 /nfs/dbraw/zinc/15/86/63/772158663.db2.gz FJCBKBJQIJWEPK-YDHLFZDLSA-N 1 3 312.458 0.417 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001187284066 772160481 /nfs/dbraw/zinc/16/04/81/772160481.db2.gz FMMFIFNYMMEMBG-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161082353 772163294 /nfs/dbraw/zinc/16/32/94/772163294.db2.gz NPJZEUJEPZMJFP-XFMPKHEZSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161082353 772163296 /nfs/dbraw/zinc/16/32/96/772163296.db2.gz NPJZEUJEPZMJFP-XFMPKHEZSA-N 1 3 310.442 0.029 20 0 DCADHO CCN(CCC(=O)OC)C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001161131278 772172337 /nfs/dbraw/zinc/17/23/37/772172337.db2.gz JTROVYYWYRMSIW-ZDUSSCGKSA-N 1 3 301.431 0.894 20 0 DCADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)Cc3cncn3C)C[C@H]2C1 ZINC001161175654 772181286 /nfs/dbraw/zinc/18/12/86/772181286.db2.gz MZPMQXFUSQILEI-NFAWXSAZSA-N 1 3 305.426 0.090 20 0 DCADHO CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)[C@@H]1CCC2(C1)OCCO2 ZINC001161219444 772185483 /nfs/dbraw/zinc/18/54/83/772185483.db2.gz QQHNWWMTSSQZDH-ZIAGYGMSSA-N 1 3 323.437 0.615 20 0 DCADHO CN(C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)[C@@H]1CCC2(C1)OCCO2 ZINC001161219444 772185485 /nfs/dbraw/zinc/18/54/85/772185485.db2.gz QQHNWWMTSSQZDH-ZIAGYGMSSA-N 1 3 323.437 0.615 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC001161413904 772219519 /nfs/dbraw/zinc/21/95/19/772219519.db2.gz RWAYBHVEFXRGER-CRWXNKLISA-N 1 3 304.394 0.676 20 0 DCADHO CCCCOC(=O)[C@@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161459746 772226695 /nfs/dbraw/zinc/22/66/95/772226695.db2.gz BMBUIPYGWYTHOO-KGLIPLIRSA-N 1 3 311.426 0.505 20 0 DCADHO CCCCOC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161462486 772227568 /nfs/dbraw/zinc/22/75/68/772227568.db2.gz ZHGRVULJHISWCB-CKEIUWERSA-N 1 3 323.437 0.377 20 0 DCADHO COc1cc2c(cc1OC)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001161467702 772228848 /nfs/dbraw/zinc/22/88/48/772228848.db2.gz FZDVSMDSGGQVSM-MRXNPFEDSA-N 1 3 319.405 0.873 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC(C)(C)C ZINC001187843215 772233101 /nfs/dbraw/zinc/23/31/01/772233101.db2.gz XSALMSMWQFFMMC-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001187841484 772233220 /nfs/dbraw/zinc/23/32/20/772233220.db2.gz BXBSLZIUJCVFRH-CHWSQXEVSA-N 1 3 317.380 0.697 20 0 DCADHO CN(C1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497762 772234360 /nfs/dbraw/zinc/23/43/60/772234360.db2.gz DDOALRBARKULEO-DOTOQJQBSA-N 1 3 315.417 0.632 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)CCC(=O)OCc1ccccc1 ZINC001161530382 772239654 /nfs/dbraw/zinc/23/96/54/772239654.db2.gz XYNBQDXQWSMBAG-VHDGCEQUSA-N 1 3 319.405 0.785 20 0 DCADHO N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161544976 772242127 /nfs/dbraw/zinc/24/21/27/772242127.db2.gz JZQJSIBCROOXEG-AWEZNQCLSA-N 1 3 317.389 0.412 20 0 DCADHO [NH3+]C1(c2cccnc2)CCN(c2cc3c(nn2)CCNC3)CC1 ZINC001161582430 772248720 /nfs/dbraw/zinc/24/87/20/772248720.db2.gz RILALZUTCOXBOZ-UHFFFAOYSA-N 1 3 310.405 0.972 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188100524 772266455 /nfs/dbraw/zinc/26/64/55/772266455.db2.gz VFYSMGVRFWCEAO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106836 772267080 /nfs/dbraw/zinc/26/70/80/772267080.db2.gz YPRCHWIZRPRLTH-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001188157990 772277381 /nfs/dbraw/zinc/27/73/81/772277381.db2.gz BURXQZGZUITHDF-GFCCVEGCSA-N 1 3 307.385 0.799 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346666 772290984 /nfs/dbraw/zinc/29/09/84/772290984.db2.gz UUJOYPVILLVGRC-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCCC[C@H]1c1ccc(N(CC[NH3+])S(C)(=O)=O)nc1 ZINC001162127271 772330301 /nfs/dbraw/zinc/33/03/01/772330301.db2.gz TVGUHGLONQFACF-ZDUSSCGKSA-N 1 3 312.439 0.963 20 0 DCADHO CNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206680038 772436521 /nfs/dbraw/zinc/43/65/21/772436521.db2.gz ZDGQJUIBUOOHMF-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(=O)Oc1cccc(C(=O)N(CCCC[NH3+])C(=N)N)c1C ZINC001189415457 772471336 /nfs/dbraw/zinc/47/13/36/772471336.db2.gz MLQCMQHKZJWRPE-UHFFFAOYSA-N 1 3 306.366 0.995 20 0 DCADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3c(c2)COC32CNC2)N1 ZINC001163254441 772493699 /nfs/dbraw/zinc/49/36/99/772493699.db2.gz NOWPLFHWVUTLLU-XJKSGUPXSA-N 1 3 300.362 0.005 20 0 DCADHO [NH3+]CCN(CCO)c1cccc2cc([C@H]3CNCCO3)cn21 ZINC001163836579 772579880 /nfs/dbraw/zinc/57/98/80/772579880.db2.gz VIXZLTXTHYSBAA-OAHLLOKOSA-N 1 3 304.394 0.358 20 0 DCADHO Cn1cc(Br)cc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001190361528 772621474 /nfs/dbraw/zinc/62/14/74/772621474.db2.gz IHWUGYMZUCPTLI-UHFFFAOYSA-N 1 3 316.203 0.862 20 0 DCADHO CN1CCC(CNc2ncc3c(n2)CNCC3)([NH+](C)C)CC1 ZINC001164207522 772625526 /nfs/dbraw/zinc/62/55/26/772625526.db2.gz ZYGMEMVVEMMFRG-UHFFFAOYSA-N 1 3 304.442 0.560 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCNCc2cnnn2C)C1 ZINC001164449527 772660597 /nfs/dbraw/zinc/66/05/97/772660597.db2.gz KURUKNLBOXYVNO-CQSZACIVSA-N 1 3 322.457 0.533 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCCNCc2cnnn2C)C1 ZINC001164449527 772660598 /nfs/dbraw/zinc/66/05/98/772660598.db2.gz KURUKNLBOXYVNO-CQSZACIVSA-N 1 3 322.457 0.533 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001165809932 772764255 /nfs/dbraw/zinc/76/42/55/772764255.db2.gz UVDRAFNPVPEVSQ-GFCCVEGCSA-N 1 3 312.458 0.467 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004243 772777967 /nfs/dbraw/zinc/77/79/67/772777967.db2.gz HIMOXFLPQIZLMB-CQSZACIVSA-N 1 3 310.446 0.480 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004358 772778123 /nfs/dbraw/zinc/77/81/23/772778123.db2.gz NGIHDKQVVGXEME-OAHLLOKOSA-N 1 3 324.473 0.789 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCc1cnn(C)c1)N(C)C ZINC001166010245 772778616 /nfs/dbraw/zinc/77/86/16/772778616.db2.gz MJIGTETZTHMVKW-OAHLLOKOSA-N 1 3 309.458 0.645 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001166627007 772830529 /nfs/dbraw/zinc/83/05/29/772830529.db2.gz NYWGMMDPYFGGOL-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO Cc1nccnc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627258 772831427 /nfs/dbraw/zinc/83/14/27/772831427.db2.gz UFTDFOQQCMJAPH-CYBMUJFWSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001166668113 772837593 /nfs/dbraw/zinc/83/75/93/772837593.db2.gz RLNNQOMOWCGYBG-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001166677590 772838377 /nfs/dbraw/zinc/83/83/77/772838377.db2.gz KMFGTKKBVAKORN-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166707027 772844776 /nfs/dbraw/zinc/84/47/76/772844776.db2.gz CGLFLYXBMQRHGR-TZMCWYRMSA-N 1 3 308.430 0.092 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166707027 772844779 /nfs/dbraw/zinc/84/47/79/772844779.db2.gz CGLFLYXBMQRHGR-TZMCWYRMSA-N 1 3 308.430 0.092 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC001166707913 772845734 /nfs/dbraw/zinc/84/57/34/772845734.db2.gz KHEJZHPQYVSTRM-CJNGLKHVSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC001166707913 772845736 /nfs/dbraw/zinc/84/57/36/772845736.db2.gz KHEJZHPQYVSTRM-CJNGLKHVSA-N 1 3 320.437 0.884 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)nn1C ZINC001166709448 772846591 /nfs/dbraw/zinc/84/65/91/772846591.db2.gz ZVGNYLASWMCLOM-WFASDCNBSA-N 1 3 307.442 0.522 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)nn1C ZINC001166709448 772846593 /nfs/dbraw/zinc/84/65/93/772846593.db2.gz ZVGNYLASWMCLOM-WFASDCNBSA-N 1 3 307.442 0.522 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192189511 772882452 /nfs/dbraw/zinc/88/24/52/772882452.db2.gz FNQVBTLSRUEXIZ-RRFJBIMHSA-N 1 3 315.458 0.113 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192189511 772882454 /nfs/dbraw/zinc/88/24/54/772882454.db2.gz FNQVBTLSRUEXIZ-RRFJBIMHSA-N 1 3 315.458 0.113 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(Cl)nc2c1CCNC2 ZINC001166968337 772892820 /nfs/dbraw/zinc/89/28/20/772892820.db2.gz RKFZUWPDPJKOTI-PELKAZGASA-N 1 3 310.785 0.460 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001203460400 772907038 /nfs/dbraw/zinc/90/70/38/772907038.db2.gz PYIPSHMZHHCGFB-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705292 772920144 /nfs/dbraw/zinc/92/01/44/772920144.db2.gz RKYJRTLQYXGECG-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705345 772920376 /nfs/dbraw/zinc/92/03/76/772920376.db2.gz VNPWTTLRFOFNGK-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC001192947549 772977592 /nfs/dbraw/zinc/97/75/92/772977592.db2.gz JRBWTKDWFUQLAP-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC001192947549 772977595 /nfs/dbraw/zinc/97/75/95/772977595.db2.gz JRBWTKDWFUQLAP-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO COc1ccc(OC)c(CN2CCC[C@@](O)(C[NH3+])CC2)c1N ZINC001205219461 772983685 /nfs/dbraw/zinc/98/36/85/772983685.db2.gz DMWZBBCOEMEAFK-INIZCTEOSA-N 1 3 309.410 0.962 20 0 DCADHO CNC(=O)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469776 772994411 /nfs/dbraw/zinc/99/44/11/772994411.db2.gz XIJVJVRUSPYKDR-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206288464 773062967 /nfs/dbraw/zinc/06/29/67/773062967.db2.gz SRJKHBKLJXNNAP-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(N(C)C=O)cc1 ZINC001194025349 773139722 /nfs/dbraw/zinc/13/97/22/773139722.db2.gz HVLFCZCTSSPDEP-UHFFFAOYSA-N 1 3 319.409 0.957 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687195 773270410 /nfs/dbraw/zinc/27/04/10/773270410.db2.gz BELZPUOQVVBRQN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCN(CCC[NH2+][C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC001195137339 773333710 /nfs/dbraw/zinc/33/37/10/773333710.db2.gz SEYJDUAKTXMCKC-SJORKVTESA-N 1 3 313.486 0.780 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334535 773435836 /nfs/dbraw/zinc/43/58/36/773435836.db2.gz JMFHSSALDZITAE-GOEBONIOSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001208373967 773446629 /nfs/dbraw/zinc/44/66/29/773446629.db2.gz SUXHYFCHVPUMEF-ZBFHGGJFSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1C[C@@H]2C[NH+](CC3=C4CCOC(=O)C4=CN[C@@H]3C)C[C@H]2C1 ZINC001209347525 773597797 /nfs/dbraw/zinc/59/77/97/773597797.db2.gz UBKLBJGHULNLKN-MGPQQGTHSA-N 1 3 317.433 0.989 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001209633456 773626957 /nfs/dbraw/zinc/62/69/57/773626957.db2.gz VJCNDSGQSGATJR-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001209634017 773627408 /nfs/dbraw/zinc/62/74/08/773627408.db2.gz ZFWYPZJMUSQJLD-ZFWWWQNUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001210217108 773685606 /nfs/dbraw/zinc/68/56/06/773685606.db2.gz CQBLZAWDGYEOKG-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240550 773784128 /nfs/dbraw/zinc/78/41/28/773784128.db2.gz MMQARAYIMTULFJ-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001211268927 773787581 /nfs/dbraw/zinc/78/75/81/773787581.db2.gz MCUUKCDMGPUCIX-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO COCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346213 773835537 /nfs/dbraw/zinc/83/55/37/773835537.db2.gz CKTXGBRAJNFIHD-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1O ZINC001198028532 773846722 /nfs/dbraw/zinc/84/67/22/773846722.db2.gz CLJCBIJXUVHWDI-MGPQQGTHSA-N 1 3 303.422 0.628 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1O ZINC001198028532 773846725 /nfs/dbraw/zinc/84/67/25/773846725.db2.gz CLJCBIJXUVHWDI-MGPQQGTHSA-N 1 3 303.422 0.628 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214596950 773999687 /nfs/dbraw/zinc/99/96/87/773999687.db2.gz AYYPJRCPMJNQMB-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214596950 773999699 /nfs/dbraw/zinc/99/96/99/773999699.db2.gz AYYPJRCPMJNQMB-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458602 774074014 /nfs/dbraw/zinc/07/40/14/774074014.db2.gz ATTNTESOPNLKHN-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215550568 774082717 /nfs/dbraw/zinc/08/27/17/774082717.db2.gz AZSVXKBWTNOBTJ-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(NC[C@H]1CCCN(CCN2CCOC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000403197900 774098199 /nfs/dbraw/zinc/09/81/99/774098199.db2.gz ZXPALSCYYXTGFC-ZIAGYGMSSA-N 1 3 324.425 0.019 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001216511178 774120675 /nfs/dbraw/zinc/12/06/75/774120675.db2.gz LGVNLYMJZCJDGT-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](N)CCCO[C@@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001217803040 774198892 /nfs/dbraw/zinc/19/88/92/774198892.db2.gz HKEWKKHVXTZFLL-MJBXVCDLSA-N 1 3 313.442 0.498 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](N)CCCO[C@@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001217803040 774198896 /nfs/dbraw/zinc/19/88/96/774198896.db2.gz HKEWKKHVXTZFLL-MJBXVCDLSA-N 1 3 313.442 0.498 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](N)CCCO[C@@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001217803040 774198900 /nfs/dbraw/zinc/19/89/00/774198900.db2.gz HKEWKKHVXTZFLL-MJBXVCDLSA-N 1 3 313.442 0.498 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N(C)C ZINC001199788718 774199634 /nfs/dbraw/zinc/19/96/34/774199634.db2.gz YFRIWGVSCVPLDP-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO C[NH2+][C@H]1C[C@@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)C1 ZINC001217957280 774207334 /nfs/dbraw/zinc/20/73/34/774207334.db2.gz VSAALUMYIBNCMN-XQQFMLRXSA-N 1 3 307.394 0.479 20 0 DCADHO F[C@H]1[C@H]2CC[C@@H](C[C@H]1Oc1ccnc3c4c(nn31)CCNC4)[NH2+]2 ZINC001218282108 774219158 /nfs/dbraw/zinc/21/91/58/774219158.db2.gz ZLYPLHJLYMVCBD-FWHFQCOYSA-N 1 3 317.368 0.985 20 0 DCADHO Cc1c[nH]nc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218514614 774233017 /nfs/dbraw/zinc/23/30/17/774233017.db2.gz CCKVEYSLPBVHDU-RYUDHWBXSA-N 1 3 322.413 0.104 20 0 DCADHO Nc1cccc(-c2cccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)n2)n1 ZINC001218560989 774247821 /nfs/dbraw/zinc/24/78/21/774247821.db2.gz CKJGSZOZFLEBPV-NSHDSACASA-N 1 3 324.388 0.473 20 0 DCADHO Nc1cc(Cl)nc(Cl)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218584486 774256591 /nfs/dbraw/zinc/25/65/91/774256591.db2.gz CDWRWYYTMFNXOQ-ZCFIWIBFSA-N 1 3 316.192 0.718 20 0 DCADHO O=C(Nc1csc(Br)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218629543 774267791 /nfs/dbraw/zinc/26/77/91/774267791.db2.gz WEKVXJAJMIFBET-LURJTMIESA-N 1 3 317.212 0.653 20 0 DCADHO C[C@H]1CCc2sc(NC(=O)[C@@H]3C[C@H](N)C[NH2+]3)c(C(N)=O)c2C1 ZINC001218706947 774284723 /nfs/dbraw/zinc/28/47/23/774284723.db2.gz DFZSBGVSAFKEAF-NRPADANISA-N 1 3 322.434 0.600 20 0 DCADHO COCCOc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)ccn1 ZINC001218806924 774306273 /nfs/dbraw/zinc/30/62/73/774306273.db2.gz ISRLJRZQMBKFEP-CQSZACIVSA-N 1 3 308.382 0.372 20 0 DCADHO CN1CCN(c2ccc(F)cc2NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CC1 ZINC001218859426 774316721 /nfs/dbraw/zinc/31/67/21/774316721.db2.gz DAVKBKOXGMGRCZ-JSGCOSHPSA-N 1 3 321.400 0.205 20 0 DCADHO N[C@H](C(=O)Nc1ccc(C2OCCO2)cc1)C1CC[NH2+]CC1 ZINC001218910131 774324557 /nfs/dbraw/zinc/32/45/57/774324557.db2.gz FJDQFCVVLWIHBG-AWEZNQCLSA-N 1 3 305.378 0.997 20 0 DCADHO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218946845 774332985 /nfs/dbraw/zinc/33/29/85/774332985.db2.gz UIIZGDYWEFTBFB-GXFFZTMASA-N 1 3 317.393 0.551 20 0 DCADHO O=C(Nc1ccccc1-n1cncn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219007060 774346951 /nfs/dbraw/zinc/34/69/51/774346951.db2.gz FOIGANAUEFZCML-MLGOLLRUSA-N 1 3 312.377 0.405 20 0 DCADHO C[NH+]1CCC(COc2cccc(F)c2NC(=O)[C@@H](N)CN)CC1 ZINC001219300149 774441062 /nfs/dbraw/zinc/44/10/62/774441062.db2.gz WIFSYKVJXYMPSP-ZDUSSCGKSA-N 1 3 324.400 0.771 20 0 DCADHO COC(=O)c1nn(C)c2ccc(NC(=O)[C@H](N)CCC[NH3+])cc21 ZINC001219364261 774464659 /nfs/dbraw/zinc/46/46/59/774464659.db2.gz DPODUTPZHHQDDE-LLVKDONJSA-N 1 3 319.365 0.365 20 0 DCADHO CN1Cc2cccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)c2C1=O ZINC001219364862 774464938 /nfs/dbraw/zinc/46/49/38/774464938.db2.gz PYLKCZRZLZTHHE-AWEZNQCLSA-N 1 3 302.378 0.538 20 0 DCADHO CN1CCc2cc(NC(=O)[C@@H](N)CCCC[NH3+])ccc2C1=O ZINC001219369430 774466753 /nfs/dbraw/zinc/46/67/53/774466753.db2.gz DNVMLKPZXOELBC-AWEZNQCLSA-N 1 3 304.394 0.710 20 0 DCADHO COC(=O)[C@@H]1CCc2cc(NC(=O)[C@@H](N)CCC[NH3+])ccc21 ZINC001219425461 774486349 /nfs/dbraw/zinc/48/63/49/774486349.db2.gz MHWGOLCBKRYOTE-KGLIPLIRSA-N 1 3 305.378 0.894 20 0 DCADHO COc1cc2c(cc1NC(=O)[C@@H](C)N)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501543 774515389 /nfs/dbraw/zinc/51/53/89/774515389.db2.gz WKJQJUHWFBKSFB-ANRSDYALSA-N 1 3 304.350 0.164 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCOC)C1 ZINC001201678853 774537202 /nfs/dbraw/zinc/53/72/02/774537202.db2.gz QOANJODQGASKLJ-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001201700700 774540878 /nfs/dbraw/zinc/54/08/78/774540878.db2.gz ABWSXNGYSZCEOR-GULBITTBSA-N 1 3 323.437 0.077 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219706064 774586671 /nfs/dbraw/zinc/58/66/71/774586671.db2.gz VOPRVJOVABPQRW-LHSJRXKWSA-N 1 3 309.435 0.044 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC(NCc3cnns3)CC2)CC1 ZINC001202225397 774619264 /nfs/dbraw/zinc/61/92/64/774619264.db2.gz WKLNKHHNMXVHPJ-UHFFFAOYSA-N 1 3 323.466 0.961 20 0 DCADHO CN[C@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H](C)OC(C)(C)C ZINC001219831384 774622947 /nfs/dbraw/zinc/62/29/47/774622947.db2.gz IWWXURKFRXGAAH-POQQGIQPSA-N 1 3 313.442 0.271 20 0 DCADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1cc2c(s1)CNCC2 ZINC001219834948 774624200 /nfs/dbraw/zinc/62/42/00/774624200.db2.gz VLCQXIJHQCVGSA-UTUOFQBUSA-N 1 3 307.419 0.501 20 0 DCADHO O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847394 774626318 /nfs/dbraw/zinc/62/63/18/774626318.db2.gz FYBMNOHMPMLFBN-WLRQEKSISA-N 1 3 323.437 0.171 20 0 DCADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1csc2c1CCNC2 ZINC001219854482 774629289 /nfs/dbraw/zinc/62/92/89/774629289.db2.gz JZJIMVGUKUYTNK-VHRBIJSZSA-N 1 3 321.446 0.748 20 0 DCADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219856332 774630274 /nfs/dbraw/zinc/63/02/74/774630274.db2.gz ILZQRFBQPHQHEE-UHDSXZAQSA-N 1 3 315.417 0.973 20 0 DCADHO N[C@H]1CCCCN(CC(=O)NCCC[NH2+]C2CCCCC2)C1=O ZINC001219954937 774655159 /nfs/dbraw/zinc/65/51/59/774655159.db2.gz YVCRVSDLDMOKGM-HNNXBMFYSA-N 1 3 324.469 0.755 20 0 DCADHO CCN1CCN(Cc2ccc(C(=O)NCC[NH2+]C)cc2)CC1 ZINC001220059265 774683699 /nfs/dbraw/zinc/68/36/99/774683699.db2.gz RDOUBXBYWHRNCW-UHFFFAOYSA-N 1 3 304.438 0.773 20 0 DCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CCCC1 ZINC001220078521 774689810 /nfs/dbraw/zinc/68/98/10/774689810.db2.gz TZTBXYIPNWVKRO-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1CCNCC1(F)F ZINC001220186574 774725693 /nfs/dbraw/zinc/72/56/93/774725693.db2.gz RYQZKIHWDSTTOG-RYUDHWBXSA-N 1 3 306.401 0.407 20 0 DCADHO COc1cc(CNC(=O)[C@@H](N)CCC[NH3+])ccc1OC1COC1 ZINC001220191862 774728525 /nfs/dbraw/zinc/72/85/25/774728525.db2.gz RGJHJNWXWLORAV-ZDUSSCGKSA-N 1 3 323.393 0.155 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001202496738 774729472 /nfs/dbraw/zinc/72/94/72/774729472.db2.gz WQVMFUMJDGCHKQ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1cccnc1[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001220256840 774747655 /nfs/dbraw/zinc/74/76/55/774747655.db2.gz GTCZBIJCXSMERB-HIFRSBDPSA-N 1 3 300.406 0.766 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269242 774750613 /nfs/dbraw/zinc/75/06/13/774750613.db2.gz UKLMTYPMDFNGTQ-MSNYOWOLSA-N 1 3 309.454 0.846 20 0 DCADHO N[C@H](C(=O)NCCc1cn2ccccc2n1)C1CC[NH2+]CC1 ZINC001220278508 774755400 /nfs/dbraw/zinc/75/54/00/774755400.db2.gz VEPJSZNVWOVOFZ-HNNXBMFYSA-N 1 3 301.394 0.320 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H](C)[C@H]2CC[NH2+][C@@H](C)C2)CCNC1 ZINC001220523089 774836501 /nfs/dbraw/zinc/83/65/01/774836501.db2.gz JCPNNAHXINTVPC-XQQFMLRXSA-N 1 3 323.437 0.937 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]32)CCC1 ZINC001114407099 774844061 /nfs/dbraw/zinc/84/40/61/774844061.db2.gz RDLWWSMSHQIAJD-CAOSSQGBSA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@H]32)CCC1 ZINC001114407099 774844067 /nfs/dbraw/zinc/84/40/67/774844067.db2.gz RDLWWSMSHQIAJD-CAOSSQGBSA-N 1 3 321.465 0.944 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCc2ccc(O)cc2C1 ZINC001220591876 774856149 /nfs/dbraw/zinc/85/61/49/774856149.db2.gz AJIILYIYPPAHTD-OCCSQVGLSA-N 1 3 309.435 0.385 20 0 DCADHO Cn1nc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)c2ccccc21 ZINC001220632084 774871201 /nfs/dbraw/zinc/87/12/01/774871201.db2.gz KITBCRCPIGQWSW-HNNXBMFYSA-N 1 3 301.394 0.516 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755465 774908684 /nfs/dbraw/zinc/90/86/84/774908684.db2.gz PJBMXGZZXICYST-GKLROCHGSA-N 1 3 309.454 0.846 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755465 774908688 /nfs/dbraw/zinc/90/86/88/774908688.db2.gz PJBMXGZZXICYST-GKLROCHGSA-N 1 3 309.454 0.846 20 0 DCADHO CC(=O)NCCCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220759205 774910275 /nfs/dbraw/zinc/91/02/75/774910275.db2.gz SABAZTXNHBEJIA-AWEZNQCLSA-N 1 3 310.442 0.283 20 0 DCADHO CC(=O)NCCCCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220759205 774910282 /nfs/dbraw/zinc/91/02/82/774910282.db2.gz SABAZTXNHBEJIA-AWEZNQCLSA-N 1 3 310.442 0.283 20 0 DCADHO O=C(NCc1ccc(C2OCCO2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220838347 774931585 /nfs/dbraw/zinc/93/15/85/774931585.db2.gz KVYWHBYRDFXEIW-CQSZACIVSA-N 1 3 317.389 0.157 20 0 DCADHO CCOC(=O)C1(NC(=O)[C@@H]2NCCc3cc(F)ccc32)C[NH2+]C1 ZINC001220851141 774935097 /nfs/dbraw/zinc/93/50/97/774935097.db2.gz JHHJCBBPIMWVMO-CYBMUJFWSA-N 1 3 321.352 0.034 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862194 774938019 /nfs/dbraw/zinc/93/80/19/774938019.db2.gz SSJYUIDORDSKMT-UONOGXRCSA-N 1 3 301.431 0.705 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936081 774956227 /nfs/dbraw/zinc/95/62/27/774956227.db2.gz CDFQHWISHAIYPJ-HOTGVXAUSA-N 1 3 321.421 0.415 20 0 DCADHO N[C@]1(C(=O)NCCO[C@H]2CC[NH2+]C2)CCc2cc(F)ccc2C1 ZINC001220935936 774956602 /nfs/dbraw/zinc/95/66/02/774956602.db2.gz AWMVLESRLQMNJM-DOTOQJQBSA-N 1 3 321.396 0.507 20 0 DCADHO N[C@@]1(C(=O)NCCO[C@H]2CC[NH2+]C2)CCc2cc(F)ccc2C1 ZINC001220935938 774956798 /nfs/dbraw/zinc/95/67/98/774956798.db2.gz AWMVLESRLQMNJM-RDJZCZTQSA-N 1 3 321.396 0.507 20 0 DCADHO N[C@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC001220937620 774957340 /nfs/dbraw/zinc/95/73/40/774957340.db2.gz WIAPNNHNQPBWJO-CVEARBPZSA-N 1 3 303.406 0.223 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937574 774957346 /nfs/dbraw/zinc/95/73/46/774957346.db2.gz VGGLMGOIDJOPGY-HOTGVXAUSA-N 1 3 305.422 0.831 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221063104 774987460 /nfs/dbraw/zinc/98/74/60/774987460.db2.gz MLZZBQMIXPLDOB-JYJNAYRXSA-N 1 3 303.406 0.490 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1[NH2+]CC[C@H]1O ZINC001221063105 774987479 /nfs/dbraw/zinc/98/74/79/774987479.db2.gz MLZZBQMIXPLDOB-XHSDSOJGSA-N 1 3 303.406 0.490 20 0 DCADHO CCOc1cccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001221065333 774988485 /nfs/dbraw/zinc/98/84/85/774988485.db2.gz HCFWOFZLDVYBBR-AWEZNQCLSA-N 1 3 318.421 0.971 20 0 DCADHO CCOc1cccc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001221065333 774988490 /nfs/dbraw/zinc/98/84/90/774988490.db2.gz HCFWOFZLDVYBBR-AWEZNQCLSA-N 1 3 318.421 0.971 20 0 DCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001221188460 775020928 /nfs/dbraw/zinc/02/09/28/775020928.db2.gz WLGGENPJWPZQQO-GJZGRUSLSA-N 1 3 319.405 0.125 20 0 DCADHO N[C@H](C(=O)NC[C@H](O)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC001221328509 775069752 /nfs/dbraw/zinc/06/97/52/775069752.db2.gz ADGQMKAEMQRGLY-BBRMVZONSA-N 1 3 317.389 0.909 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CC[NH2+]C[C@H]3F)CC2)NC1 ZINC001221392240 775083542 /nfs/dbraw/zinc/08/35/42/775083542.db2.gz KOZOUEVSEASLRA-UONOGXRCSA-N 1 3 308.401 0.502 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CC[NH2+]C[C@@H]3F)CC2)NC1 ZINC001221392237 775083564 /nfs/dbraw/zinc/08/35/64/775083564.db2.gz KOZOUEVSEASLRA-KGLIPLIRSA-N 1 3 308.401 0.502 20 0 DCADHO CC(C)(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cc(Cl)ccn1 ZINC001221393903 775084623 /nfs/dbraw/zinc/08/46/23/775084623.db2.gz QVINZKMDBFEEGT-NSHDSACASA-N 1 3 308.813 0.895 20 0 DCADHO CN(CC(=O)NC[C@@H]1Cc2ccccc2CN1)[C@H]1CCC[NH2+]C1 ZINC001221399154 775086516 /nfs/dbraw/zinc/08/65/16/775086516.db2.gz MQXJVPKEKSKCSW-IRXDYDNUSA-N 1 3 316.449 0.501 20 0 DCADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013431 775245743 /nfs/dbraw/zinc/24/57/43/775245743.db2.gz DROOQRCVDOPRCJ-BZUAXINKSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013431 775245746 /nfs/dbraw/zinc/24/57/46/775245746.db2.gz DROOQRCVDOPRCJ-BZUAXINKSA-N 1 3 309.454 0.896 20 0 DCADHO COC(=O)[C@H]1CNCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001222413766 775341705 /nfs/dbraw/zinc/34/17/05/775341705.db2.gz CFVJDFJQLZVIBF-MRXNPFEDSA-N 1 3 318.421 0.043 20 0 DCADHO COC(=O)[C@@H]1CNCCN1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001222413765 775342555 /nfs/dbraw/zinc/34/25/55/775342555.db2.gz CFVJDFJQLZVIBF-INIZCTEOSA-N 1 3 318.421 0.043 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223472727 775493643 /nfs/dbraw/zinc/49/36/43/775493643.db2.gz ULGYLJRIAPSVEY-DOMZBBRYSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)NCC1CC[NH+](CCn2cncn2)CC1 ZINC001224911722 775620281 /nfs/dbraw/zinc/62/02/81/775620281.db2.gz VFUANGYCFKSCHN-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001228188505 776055127 /nfs/dbraw/zinc/05/51/27/776055127.db2.gz CEUIGGSQAWRWBV-BYNSBNAKSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001228188505 776055140 /nfs/dbraw/zinc/05/51/40/776055140.db2.gz CEUIGGSQAWRWBV-BYNSBNAKSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CC1 ZINC001228365350 776076187 /nfs/dbraw/zinc/07/61/87/776076187.db2.gz CPLDWDLEWMQHAK-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001229239017 776172539 /nfs/dbraw/zinc/17/25/39/776172539.db2.gz UOWHVPKWXFUBQA-HUUCEWRRSA-N 1 3 322.457 0.637 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230263271 776270529 /nfs/dbraw/zinc/27/05/29/776270529.db2.gz ONCSXSZVPASMKD-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358686 777226046 /nfs/dbraw/zinc/22/60/46/777226046.db2.gz PRMVZNQOYQYDIO-WMLDXEAASA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358686 777226051 /nfs/dbraw/zinc/22/60/51/777226051.db2.gz PRMVZNQOYQYDIO-WMLDXEAASA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CC(C)(C)CO)C[C@H]2CC1 ZINC001277963444 945068448 /nfs/dbraw/zinc/06/84/48/945068448.db2.gz KPIXDHOHYVDUEJ-GASCZTMLSA-N 1 3 311.470 0.737 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CC(C)(C)CO)C[C@H]2CC1 ZINC001277963444 945068435 /nfs/dbraw/zinc/06/84/35/945068435.db2.gz KPIXDHOHYVDUEJ-GASCZTMLSA-N 1 3 311.470 0.737 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001317599286 945100667 /nfs/dbraw/zinc/10/06/67/945100667.db2.gz RLCSWQHTXNXSJS-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001317599286 945100672 /nfs/dbraw/zinc/10/06/72/945100672.db2.gz RLCSWQHTXNXSJS-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273018744 945195686 /nfs/dbraw/zinc/19/56/86/945195686.db2.gz NYQQYJAOUUQPST-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273018744 945195689 /nfs/dbraw/zinc/19/56/89/945195689.db2.gz NYQQYJAOUUQPST-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[NH+](C)CCN1C(=O)COCC12CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001273049630 945217665 /nfs/dbraw/zinc/21/76/65/945217665.db2.gz DCYYUGYIZGIBRB-ARFHVFGLSA-N 1 3 319.449 0.673 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266559958 939163990 /nfs/dbraw/zinc/16/39/90/939163990.db2.gz VJKTZAGRQCLWPX-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001266741426 939226113 /nfs/dbraw/zinc/22/61/13/939226113.db2.gz TZNQMVLXEMDCFM-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001267069343 939330506 /nfs/dbraw/zinc/33/05/06/939330506.db2.gz UPOLIMHREWZPDU-CQSZACIVSA-N 1 3 322.453 0.047 20 0 DCADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=O)NC)N(C)C ZINC001267179343 939373194 /nfs/dbraw/zinc/37/31/94/939373194.db2.gz OMBHUAOIYINNTM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NC)N(C)C ZINC001267179343 939373196 /nfs/dbraw/zinc/37/31/96/939373196.db2.gz OMBHUAOIYINNTM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NCC1CC1 ZINC001267372789 939438595 /nfs/dbraw/zinc/43/85/95/939438595.db2.gz YJGDUVYOIOHOQS-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NCC1CC1 ZINC001267372789 939438597 /nfs/dbraw/zinc/43/85/97/939438597.db2.gz YJGDUVYOIOHOQS-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267439455 939456644 /nfs/dbraw/zinc/45/66/44/939456644.db2.gz IWDPKGNCEBGOBQ-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267439455 939456645 /nfs/dbraw/zinc/45/66/45/939456645.db2.gz IWDPKGNCEBGOBQ-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496296602 939577730 /nfs/dbraw/zinc/57/77/30/939577730.db2.gz PQWYOXMBYSQXOV-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496296602 939577731 /nfs/dbraw/zinc/57/77/31/939577731.db2.gz PQWYOXMBYSQXOV-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001408693945 939578841 /nfs/dbraw/zinc/57/88/41/939578841.db2.gz UHYHWNJSTQGVMZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001408693945 939578843 /nfs/dbraw/zinc/57/88/43/939578843.db2.gz UHYHWNJSTQGVMZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001481240842 939662057 /nfs/dbraw/zinc/66/20/57/939662057.db2.gz ZOLYJBGVSUEGAJ-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481301752 939730924 /nfs/dbraw/zinc/73/09/24/939730924.db2.gz CEGBZHIYEACPJM-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001481304681 939734650 /nfs/dbraw/zinc/73/46/50/939734650.db2.gz YPIHBDXDXMDCNQ-CQSZACIVSA-N 1 3 310.446 0.283 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCO)c2ccccc2)C1 ZINC001481370438 939762035 /nfs/dbraw/zinc/76/20/35/939762035.db2.gz FAVLYUPKGQNXOG-GDBMZVCRSA-N 1 3 305.422 0.768 20 0 DCADHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001268422353 940116785 /nfs/dbraw/zinc/11/67/85/940116785.db2.gz ALVQGDSGHGOGQI-ZIAGYGMSSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001268422353 940116788 /nfs/dbraw/zinc/11/67/88/940116788.db2.gz ALVQGDSGHGOGQI-ZIAGYGMSSA-N 1 3 307.442 0.839 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001268539738 940224022 /nfs/dbraw/zinc/22/40/22/940224022.db2.gz WXSWOPLVRXLJCX-LMVHVUTASA-N 1 3 324.469 0.777 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)N(C)C1CC1 ZINC001482144495 940283033 /nfs/dbraw/zinc/28/30/33/940283033.db2.gz SRRMYAUZZNSUFT-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)COc1ccc(C)cc1 ZINC001246017820 945317345 /nfs/dbraw/zinc/31/73/45/945317345.db2.gz CQCGMQPJJMGNLJ-HOCLYGCPSA-N 1 3 323.437 0.568 20 0 DCADHO N[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[C@@H]1F ZINC001246016384 945317802 /nfs/dbraw/zinc/31/78/02/945317802.db2.gz KYNNIYRGFPVJFI-XDQVBPFNSA-N 1 3 303.328 0.177 20 0 DCADHO CCN(CC)CC(=O)N(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001410001482 945321156 /nfs/dbraw/zinc/32/11/56/945321156.db2.gz VOJZOWFTNPIQNO-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO O[C@@]1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCNC[C@@H]1F ZINC001246082327 945333826 /nfs/dbraw/zinc/33/38/26/945333826.db2.gz LPWDJENTWKJZCA-IXDOHACOSA-N 1 3 307.413 0.913 20 0 DCADHO CCNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001269837378 940785333 /nfs/dbraw/zinc/78/53/33/940785333.db2.gz GQZXPLXDNICFPK-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)N3CCOCC3)CC2)CCN1 ZINC001246190565 945359591 /nfs/dbraw/zinc/35/95/91/945359591.db2.gz OOTTZPVWQXVMJZ-HIFRSBDPSA-N 1 3 310.442 0.633 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246205757 945361708 /nfs/dbraw/zinc/36/17/08/945361708.db2.gz UGJCFDWPXGMICB-JHJVBQTASA-N 1 3 320.455 0.602 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC001246205757 945361721 /nfs/dbraw/zinc/36/17/21/945361721.db2.gz UGJCFDWPXGMICB-JHJVBQTASA-N 1 3 320.455 0.602 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCn1cncn1 ZINC001482367937 941024343 /nfs/dbraw/zinc/02/43/43/941024343.db2.gz CJJPZCRXWGRYJR-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)n1 ZINC001271119294 941268072 /nfs/dbraw/zinc/26/80/72/941268072.db2.gz BPSGUYBULSMJPZ-AWEZNQCLSA-N 1 3 318.425 0.902 20 0 DCADHO C[C@H](C(=O)N1CCCC2(CN(CC[NH+](C)C)C2)C1)N1CCCC1 ZINC001271214261 941324254 /nfs/dbraw/zinc/32/42/54/941324254.db2.gz PPXNUKWEIWHTQI-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO Cn1cncc1CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001482660917 941613099 /nfs/dbraw/zinc/61/30/99/941613099.db2.gz AXKMBCUHQVOXSZ-ZBFHGGJFSA-N 1 3 319.453 0.795 20 0 DCADHO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCN2C)nn1 ZINC001482860276 941690760 /nfs/dbraw/zinc/69/07/60/941690760.db2.gz GQWCXJOZCHJBBJ-GXTWGEPZSA-N 1 3 321.425 0.564 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482925516 941713689 /nfs/dbraw/zinc/71/36/89/941713689.db2.gz RIFBSFDZWVDFMY-MRXNPFEDSA-N 1 3 319.453 0.700 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001409271792 941852123 /nfs/dbraw/zinc/85/21/23/941852123.db2.gz ZLXRHDQUANYOBX-UHFFFAOYSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)CCC[NH+](C)C)C2)n1 ZINC001409283381 941871228 /nfs/dbraw/zinc/87/12/28/941871228.db2.gz YFTSJOYEYSXZJV-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](C[NH2+]C[C@@H]1CCc2ncnn21)NC(=O)CN(C)C1CCC1 ZINC001483138277 941903142 /nfs/dbraw/zinc/90/31/42/941903142.db2.gz VUMWSWKQCBQUAL-OCCSQVGLSA-N 1 3 320.441 0.344 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNCC(=O)NC2CC2)CC1 ZINC001483181181 941925789 /nfs/dbraw/zinc/92/57/89/941925789.db2.gz YNJRVASNVFVOLE-CYBMUJFWSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905006849 941995657 /nfs/dbraw/zinc/99/56/57/941995657.db2.gz FOMRCVQEKXQJGP-RHSMWYFYSA-N 1 3 322.453 0.271 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001483296649 942248826 /nfs/dbraw/zinc/24/88/26/942248826.db2.gz MYBVKQWEHLGQNQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1)C1CCC1 ZINC001483565090 942423701 /nfs/dbraw/zinc/42/37/01/942423701.db2.gz BAZSSXVMPKOXSV-HUUCEWRRSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082482 942465529 /nfs/dbraw/zinc/46/55/29/942465529.db2.gz RKRXKECSDHOBQF-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082482 942465531 /nfs/dbraw/zinc/46/55/31/942465531.db2.gz RKRXKECSDHOBQF-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CC1)C2 ZINC001272307713 942678450 /nfs/dbraw/zinc/67/84/50/942678450.db2.gz AZEKVUFCEFDNTL-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CC1)C2 ZINC001272307713 942678456 /nfs/dbraw/zinc/67/84/56/942678456.db2.gz AZEKVUFCEFDNTL-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001272383748 942728387 /nfs/dbraw/zinc/72/83/87/942728387.db2.gz JISPCIABYZVAQJ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001483923559 943026084 /nfs/dbraw/zinc/02/60/84/943026084.db2.gz ASCTTZVNUQRYGR-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C ZINC001483952070 943051215 /nfs/dbraw/zinc/05/12/15/943051215.db2.gz PYDKAXLJUCDUPX-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO Cc1nc(C)n(CCN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001484056415 943123853 /nfs/dbraw/zinc/12/38/53/943123853.db2.gz BEPLQJGOWRFEFW-INIZCTEOSA-N 1 3 322.457 0.427 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC001484889402 943614234 /nfs/dbraw/zinc/61/42/34/943614234.db2.gz UDWCFTLEPCWKOK-WFASDCNBSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001484889401 943614800 /nfs/dbraw/zinc/61/48/00/943614800.db2.gz UDWCFTLEPCWKOK-SWLSCSKDSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001484897725 943620059 /nfs/dbraw/zinc/62/00/59/943620059.db2.gz QDQMBUHXXASEQW-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001485188689 943745989 /nfs/dbraw/zinc/74/59/89/943745989.db2.gz DRMRJXFUQIYGKM-STQMWFEESA-N 1 3 320.437 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(C)(C)C ZINC001485207448 943757048 /nfs/dbraw/zinc/75/70/48/943757048.db2.gz MXOUAGNAAVSFEN-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(C)(C)C ZINC001485207448 943757053 /nfs/dbraw/zinc/75/70/53/943757053.db2.gz MXOUAGNAAVSFEN-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+][C@@H]2CCNC2=O)C1 ZINC001485259664 943776133 /nfs/dbraw/zinc/77/61/33/943776133.db2.gz AVTBPFWMUMIZNV-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN(C)C(C)C ZINC001491361418 943940620 /nfs/dbraw/zinc/94/06/20/943940620.db2.gz KXQCJKITWGFKHF-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN(C)C(C)C ZINC001491361418 943940622 /nfs/dbraw/zinc/94/06/22/943940622.db2.gz KXQCJKITWGFKHF-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001491486101 944036478 /nfs/dbraw/zinc/03/64/78/944036478.db2.gz AQEIITWNRBERPV-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001491486101 944036488 /nfs/dbraw/zinc/03/64/88/944036488.db2.gz AQEIITWNRBERPV-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)N[C@H]1CCNC1=O ZINC001491503558 944056669 /nfs/dbraw/zinc/05/66/69/944056669.db2.gz BGIKJONPHNBMBP-OCCSQVGLSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)N[C@H]1CCNC1=O ZINC001491503558 944056676 /nfs/dbraw/zinc/05/66/76/944056676.db2.gz BGIKJONPHNBMBP-OCCSQVGLSA-N 1 3 324.469 0.622 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001203010816 944142730 /nfs/dbraw/zinc/14/27/30/944142730.db2.gz WHNIQWDTBWCQBZ-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ncccc3O)C[C@@H]21 ZINC001276594200 944226539 /nfs/dbraw/zinc/22/65/39/944226539.db2.gz SMFDGRATAOPKSS-HOCLYGCPSA-N 1 3 306.410 0.234 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001215473572 944275835 /nfs/dbraw/zinc/27/58/35/944275835.db2.gz DUBRHJCEWQZHLB-KBUPBQIOSA-N 1 3 315.458 0.016 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001485961887 944449606 /nfs/dbraw/zinc/44/96/06/944449606.db2.gz UFAYJFDHGAIATG-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001486053205 944536610 /nfs/dbraw/zinc/53/66/10/944536610.db2.gz WDTZIZAHJXCQLQ-HOCLYGCPSA-N 1 3 317.433 0.910 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C ZINC001486092019 944551019 /nfs/dbraw/zinc/55/10/19/944551019.db2.gz LNVHIEMNLVDSJZ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001486123197 944579566 /nfs/dbraw/zinc/57/95/66/944579566.db2.gz ZEMWTYHVLNPHJL-TZMCWYRMSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC)C[C@@H]1C ZINC001486128605 944606340 /nfs/dbraw/zinc/60/63/40/944606340.db2.gz KHSQGKFGGNZDSO-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC)C[C@@H]1C ZINC001486128605 944606348 /nfs/dbraw/zinc/60/63/48/944606348.db2.gz KHSQGKFGGNZDSO-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CCC[NH2+][C@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001277211644 944707862 /nfs/dbraw/zinc/70/78/62/944707862.db2.gz YXANKAYSBCGKQM-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)C(C)(C)[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277640168 944923601 /nfs/dbraw/zinc/92/36/01/944923601.db2.gz ZONWIKXJGDSQHF-OKILXGFUSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)C(C)(C)[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277640168 944923608 /nfs/dbraw/zinc/92/36/08/944923608.db2.gz ZONWIKXJGDSQHF-OKILXGFUSA-N 1 3 324.469 0.243 20 0 DCADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2CO)CC1 ZINC001246310601 945380696 /nfs/dbraw/zinc/38/06/96/945380696.db2.gz UKNAORJFTTYLGS-YESZJQIVSA-N 1 3 317.433 0.851 20 0 DCADHO O=C(CN[C@@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC001246361543 945393910 /nfs/dbraw/zinc/39/39/10/945393910.db2.gz ZRJFNMQJJOKUSJ-OAHLLOKOSA-N 1 3 308.470 0.805 20 0 DCADHO c1nc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)cn1Cc1ccccn1 ZINC001246420256 945407374 /nfs/dbraw/zinc/40/73/74/945407374.db2.gz KEVLTFBKPAXZDI-CQSZACIVSA-N 1 3 312.421 0.510 20 0 DCADHO NC[C@H]1C[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@H]1O ZINC001246578052 945436800 /nfs/dbraw/zinc/43/68/00/945436800.db2.gz FJNRVZJFSHMEIV-YESZJQIVSA-N 1 3 317.433 0.933 20 0 DCADHO NC[C@H]1C[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@H]1O ZINC001246578052 945436804 /nfs/dbraw/zinc/43/68/04/945436804.db2.gz FJNRVZJFSHMEIV-YESZJQIVSA-N 1 3 317.433 0.933 20 0 DCADHO COC(=O)C1C[C@@H]2CC(N3CC[C@@H]4OCCN[C@H]4C3)C[C@H](C1)[NH2+]2 ZINC001246660595 945454316 /nfs/dbraw/zinc/45/43/16/945454316.db2.gz VSMMUZIAIFUVEC-CNYPHPDHSA-N 1 3 323.437 0.121 20 0 DCADHO C[C@H]1CC[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C[NH2+]1 ZINC001246706459 945468078 /nfs/dbraw/zinc/46/80/78/945468078.db2.gz KUAQWVBWLWHNOZ-STQMWFEESA-N 1 3 315.421 0.854 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CCN1 ZINC001246738973 945477125 /nfs/dbraw/zinc/47/71/25/945477125.db2.gz HZEBJMMPJKDMSF-LNNMMNKASA-N 1 3 307.438 0.885 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CCN1 ZINC001246738973 945477129 /nfs/dbraw/zinc/47/71/29/945477129.db2.gz HZEBJMMPJKDMSF-LNNMMNKASA-N 1 3 307.438 0.885 20 0 DCADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1 ZINC001246746089 945481325 /nfs/dbraw/zinc/48/13/25/945481325.db2.gz QZNPGKZJYIERPI-IIVZCXTMSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1 ZINC001246746089 945481333 /nfs/dbraw/zinc/48/13/33/945481333.db2.gz QZNPGKZJYIERPI-IIVZCXTMSA-N 1 3 321.465 0.992 20 0 DCADHO O=C(NCC1CC1)c1nn([C@@H]2CCC[NH2+]C2)c2c1CNCC2 ZINC001246760853 945483865 /nfs/dbraw/zinc/48/38/65/945483865.db2.gz RIORCMVBMWUCEL-GFCCVEGCSA-N 1 3 303.410 0.593 20 0 DCADHO Cc1cc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)ncn1 ZINC001246961305 945526550 /nfs/dbraw/zinc/52/65/50/945526550.db2.gz QAOIYXJEGBEJRJ-AWEZNQCLSA-N 1 3 302.426 0.001 20 0 DCADHO COc1cc(OC)c(-c2noc(C34CNCC3C[NH2+]C4)n2)cn1 ZINC001247851177 945579189 /nfs/dbraw/zinc/57/91/89/945579189.db2.gz NUQWRQQUHWAZIA-UHFFFAOYSA-N 1 3 317.349 0.209 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001320236233 945781456 /nfs/dbraw/zinc/78/14/56/945781456.db2.gz XDKWEDCPAIXKGZ-KBPBESRZSA-N 1 3 313.442 0.107 20 0 DCADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl)N1CCCC1 ZINC001320255918 945788065 /nfs/dbraw/zinc/78/80/65/945788065.db2.gz BETHZAGPYUPFOD-FJOGCWAESA-N 1 3 303.834 0.680 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001410215900 946048023 /nfs/dbraw/zinc/04/80/23/946048023.db2.gz HDYSUICOFNHJQZ-MGPQQGTHSA-N 1 3 310.442 0.219 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001253211297 946097164 /nfs/dbraw/zinc/09/71/64/946097164.db2.gz DBEFJMGMKAYHDT-CABCVRRESA-N 1 3 320.437 0.588 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+]CC1(c2cnccn2)CCOCC1 ZINC001253213906 946097413 /nfs/dbraw/zinc/09/74/13/946097413.db2.gz WPLPJEGXOGXZRT-OAHLLOKOSA-N 1 3 322.453 0.817 20 0 DCADHO CC(C)(C(=O)NC/C=C\CN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001321184027 946204638 /nfs/dbraw/zinc/20/46/38/946204638.db2.gz DUVCITRHXODRET-VQTKUKTRSA-N 1 3 322.453 0.401 20 0 DCADHO COc1cccc(OC[C@@H](O)CNCCC[N@H+](C)CCO)c1 ZINC001253987064 946218120 /nfs/dbraw/zinc/21/81/20/946218120.db2.gz RCDYZJDCFIQZSX-AWEZNQCLSA-N 1 3 312.410 0.339 20 0 DCADHO COc1cccc(OC[C@@H](O)CNCCC[N@@H+](C)CCO)c1 ZINC001253987064 946218132 /nfs/dbraw/zinc/21/81/32/946218132.db2.gz RCDYZJDCFIQZSX-AWEZNQCLSA-N 1 3 312.410 0.339 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001410374867 946271749 /nfs/dbraw/zinc/27/17/49/946271749.db2.gz IQWVXZNQBYCJLH-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@H]1CCCNC1=O ZINC001410519299 946508778 /nfs/dbraw/zinc/50/87/78/946508778.db2.gz QLBDRQIBFFVQBK-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@H]1CCC[N@H+](C)C1)CCC2 ZINC001255485455 946517208 /nfs/dbraw/zinc/51/72/08/946517208.db2.gz OZICWCLJHTYHAT-HNNXBMFYSA-N 1 3 319.453 0.605 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@H]1CCC[N@@H+](C)C1)CCC2 ZINC001255485455 946517210 /nfs/dbraw/zinc/51/72/10/946517210.db2.gz OZICWCLJHTYHAT-HNNXBMFYSA-N 1 3 319.453 0.605 20 0 DCADHO CN1CCN(C(=O)CC[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255668759 946539656 /nfs/dbraw/zinc/53/96/56/946539656.db2.gz MQANEONLLPECEV-MQVJKMGUSA-N 1 3 308.470 0.755 20 0 DCADHO CC(=O)N1C[C@@H]2C[C@]2([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677109 946653065 /nfs/dbraw/zinc/65/30/65/946653065.db2.gz KVECEDJTZHYTAZ-OTBWCIGPSA-N 1 3 307.438 0.840 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001256779464 946660617 /nfs/dbraw/zinc/66/06/17/946660617.db2.gz KQFJNHHBZDQCIQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2)CCC1 ZINC001410657714 946722552 /nfs/dbraw/zinc/72/25/52/946722552.db2.gz OMWLOLMXWNIOTC-OAHLLOKOSA-N 1 3 305.422 0.738 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001322830478 946826920 /nfs/dbraw/zinc/82/69/20/946826920.db2.gz AKJDAQCXABVBOT-CQSZACIVSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC001322830478 946826930 /nfs/dbraw/zinc/82/69/30/946826930.db2.gz AKJDAQCXABVBOT-CQSZACIVSA-N 1 3 305.426 0.675 20 0 DCADHO [NH3+]CCN1CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258637272 946857377 /nfs/dbraw/zinc/85/73/77/946857377.db2.gz OHJDWWZGSOMUSP-UHFFFAOYSA-N 1 3 316.449 0.868 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001410862340 947045207 /nfs/dbraw/zinc/04/52/07/947045207.db2.gz KKAVTFPUSSXIQQ-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001410862340 947045216 /nfs/dbraw/zinc/04/52/16/947045216.db2.gz KKAVTFPUSSXIQQ-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001410903286 947109565 /nfs/dbraw/zinc/10/95/65/947109565.db2.gz PXHHGWMSXFOZIL-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001410903286 947109569 /nfs/dbraw/zinc/10/95/69/947109569.db2.gz PXHHGWMSXFOZIL-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C)C(N)=O ZINC001410978756 947187991 /nfs/dbraw/zinc/18/79/91/947187991.db2.gz IMZAKDPFJPGYBJ-OLZOCXBDSA-N 1 3 324.469 0.419 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001411032593 947256090 /nfs/dbraw/zinc/25/60/90/947256090.db2.gz ZHYSFESMRUVVGC-UONOGXRCSA-N 1 3 315.458 0.161 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001262068301 947550172 /nfs/dbraw/zinc/55/01/72/947550172.db2.gz XHDIVRCARWKORH-FPMFFAJLSA-N 1 3 308.426 0.139 20 0 DCADHO CN(C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)CC[NH+](C)C ZINC001411275429 947570804 /nfs/dbraw/zinc/57/08/04/947570804.db2.gz ZYCMLDNLRDQWRR-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CN1CCN(CCCNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)CC1 ZINC001263102782 947806899 /nfs/dbraw/zinc/80/68/99/947806899.db2.gz DXPZYBTTXJFFEK-DOTOQJQBSA-N 1 3 308.470 0.662 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486690 947850686 /nfs/dbraw/zinc/85/06/86/947850686.db2.gz PNDFEYZXZCWQGF-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001179586400 947870056 /nfs/dbraw/zinc/87/00/56/947870056.db2.gz NWRQQSIYHQEPCT-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)[C@@H]1C)N(C)C ZINC001179554205 947870673 /nfs/dbraw/zinc/87/06/73/947870673.db2.gz UYQMOWYNAPOQJN-DHMWGJHJSA-N 1 3 324.469 0.573 20 0 DCADHO CC1(C)CCN(CC(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001179592728 947872791 /nfs/dbraw/zinc/87/27/91/947872791.db2.gz KPQNGELYUXTVGY-UHFFFAOYSA-N 1 3 312.458 0.470 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001179609334 947874970 /nfs/dbraw/zinc/87/49/70/947874970.db2.gz OJUVNNKNGYZROB-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001179653210 947880515 /nfs/dbraw/zinc/88/05/15/947880515.db2.gz YPXRUKQUPNCKRK-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779863 947903978 /nfs/dbraw/zinc/90/39/78/947903978.db2.gz ZTXQWRZJRLGQGA-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O ZINC001180158057 947905435 /nfs/dbraw/zinc/90/54/35/947905435.db2.gz FQWDRKQWDFHDRC-LBPRGKRZSA-N 1 3 309.414 0.401 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC/C=C\Cl)CC[N@@H+]1C ZINC001326021317 948021841 /nfs/dbraw/zinc/02/18/41/948021841.db2.gz GZQHDLRXZQJVED-PSVOHZHUSA-N 1 3 317.861 0.880 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC/C=C\Cl)CC[N@H+]1C ZINC001326021317 948021850 /nfs/dbraw/zinc/02/18/50/948021850.db2.gz GZQHDLRXZQJVED-PSVOHZHUSA-N 1 3 317.861 0.880 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCO[C@H](CNCCF)C1)[NH+]1CCCC1 ZINC001327082637 948390346 /nfs/dbraw/zinc/39/03/46/948390346.db2.gz WARSGZIHBPXSBV-CABCVRRESA-N 1 3 315.433 0.893 20 0 DCADHO CN(C)CCN1CCC2(CC[NH+](CCC(=O)N(C)C)CC2)C1=O ZINC001273837586 948405621 /nfs/dbraw/zinc/40/56/21/948405621.db2.gz BZCZWTNEFREIDA-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001488192306 948597724 /nfs/dbraw/zinc/59/77/24/948597724.db2.gz DVVHDMHPPZAPMK-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCOC[C@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001252046184 948644184 /nfs/dbraw/zinc/64/41/84/948644184.db2.gz ZEACFGHXFWXXFI-GOSISDBHSA-N 1 3 321.465 0.921 20 0 DCADHO CCCCCN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328127444 948715780 /nfs/dbraw/zinc/71/57/80/948715780.db2.gz DRECBUIVEJUSKC-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328127444 948715786 /nfs/dbraw/zinc/71/57/86/948715786.db2.gz DRECBUIVEJUSKC-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001488858181 949269772 /nfs/dbraw/zinc/26/97/72/949269772.db2.gz JWGMDPSVPIJJGP-XEZPLFJOSA-N 1 3 315.433 0.676 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCCC1 ZINC001489057368 949449552 /nfs/dbraw/zinc/44/95/52/949449552.db2.gz OWGAPERPERZLOT-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001489036121 949450228 /nfs/dbraw/zinc/45/02/28/949450228.db2.gz BCYMADCDERNEFI-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO COCC(COC)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001364520784 949480335 /nfs/dbraw/zinc/48/03/35/949480335.db2.gz FUNAWRVBYSVKSB-UHFFFAOYSA-N 1 3 300.443 0.961 20 0 DCADHO Cn1nccc1CN[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265567003 949771966 /nfs/dbraw/zinc/77/19/66/949771966.db2.gz SAHPWQMUPHXREH-OKILXGFUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC001364698054 949778215 /nfs/dbraw/zinc/77/82/15/949778215.db2.gz LLMWNEFZFKADIL-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC001364698054 949778225 /nfs/dbraw/zinc/77/82/25/949778225.db2.gz LLMWNEFZFKADIL-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2nc(C)no2)C1 ZINC001265942162 950171088 /nfs/dbraw/zinc/17/10/88/950171088.db2.gz XBXMKCDQXXAIOZ-AWEZNQCLSA-N 1 3 323.441 0.843 20 0 DCADHO CC[C@H](C)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001331056104 950858400 /nfs/dbraw/zinc/85/84/00/950858400.db2.gz IBKJDMUJHFGLTD-AWEZNQCLSA-N 1 3 314.474 0.443 20 0 DCADHO CC[NH+](CC)C[C@@H](O)CN1CCN(CCCCOC)CC1 ZINC001253191909 951228503 /nfs/dbraw/zinc/22/85/03/951228503.db2.gz GAQXBZNLXXVHEV-MRXNPFEDSA-N 1 3 301.475 0.733 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001274025463 951337609 /nfs/dbraw/zinc/33/76/09/951337609.db2.gz MBRARGOFYCVYNK-LSMGEYOZSA-N 1 3 308.426 0.010 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001274025463 951337620 /nfs/dbraw/zinc/33/76/20/951337620.db2.gz MBRARGOFYCVYNK-LSMGEYOZSA-N 1 3 308.426 0.010 20 0 DCADHO CN(C)CCN1CCC2(CC[NH+](CC(C)(C)CO)CC2)C1=O ZINC001274055641 951375634 /nfs/dbraw/zinc/37/56/34/951375634.db2.gz PGPQCVKYBPTFNO-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001365817117 951578956 /nfs/dbraw/zinc/57/89/56/951578956.db2.gz FTEKNKZOIZELDQ-XGUBFFRZSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001365850996 951616667 /nfs/dbraw/zinc/61/66/67/951616667.db2.gz ZACGSBASSUCBJF-SHTZXODSSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1ncc(CN2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)[nH]1 ZINC001274576424 951709864 /nfs/dbraw/zinc/70/98/64/951709864.db2.gz NLSFBMWFTDQIAL-INIZCTEOSA-N 1 3 321.425 0.083 20 0 DCADHO CCOCC[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001274580493 951716146 /nfs/dbraw/zinc/71/61/46/951716146.db2.gz BJSYGWSHVCQSHX-UHFFFAOYSA-N 1 3 313.442 0.062 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001275000830 951924580 /nfs/dbraw/zinc/92/45/80/951924580.db2.gz FXDWAHWADFGKIS-LLVKDONJSA-N 1 3 304.398 0.331 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCn1cncn1 ZINC001275048812 951942446 /nfs/dbraw/zinc/94/24/46/951942446.db2.gz YPPMZKPNGIHYRH-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542968 952244537 /nfs/dbraw/zinc/24/45/37/952244537.db2.gz XOAHOYQZLURGSN-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)NCc1cccnc1 ZINC001335941898 952623409 /nfs/dbraw/zinc/62/34/09/952623409.db2.gz NAHQWSSGMIOQFL-OAHLLOKOSA-N 1 3 306.410 0.134 20 0 DCADHO Cc1ccoc1C(=O)NCCCNC[C@H](O)C[NH+]1CCCC1 ZINC001336785743 952765614 /nfs/dbraw/zinc/76/56/14/952765614.db2.gz SYXREXSTNAOFRF-AWEZNQCLSA-N 1 3 309.410 0.754 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001412529584 952871286 /nfs/dbraw/zinc/87/12/86/952871286.db2.gz BNFVEOPDHYIFQZ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001412529584 952871287 /nfs/dbraw/zinc/87/12/87/952871287.db2.gz BNFVEOPDHYIFQZ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1ccnc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC001337939525 952937269 /nfs/dbraw/zinc/93/72/69/952937269.db2.gz BZRZGZRUTCHKSD-UHFFFAOYSA-N 1 3 321.425 0.280 20 0 DCADHO CCN1CCN(CCNC(=O)CCSCCC[NH3+])CC1 ZINC001340894949 953201767 /nfs/dbraw/zinc/20/17/67/953201767.db2.gz MYFBAIJWRUEVES-UHFFFAOYSA-N 1 3 302.488 0.212 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341585489 953238458 /nfs/dbraw/zinc/23/84/58/953238458.db2.gz NIFNMWKVQDDESP-ZQIUZPCESA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341585488 953238651 /nfs/dbraw/zinc/23/86/51/953238651.db2.gz NIFNMWKVQDDESP-VBQJREDUSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH2+]CCCCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001341596237 953239857 /nfs/dbraw/zinc/23/98/57/953239857.db2.gz ZHBZDAMRHHJSMR-UHFFFAOYSA-N 1 3 324.469 0.709 20 0 DCADHO [NH3+]CCCSCCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001342252654 953279461 /nfs/dbraw/zinc/27/94/61/953279461.db2.gz ZILWMQNWSKDXDM-AWEZNQCLSA-N 1 3 315.483 0.828 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCc1ccnn1C ZINC001365896129 953372466 /nfs/dbraw/zinc/37/24/66/953372466.db2.gz STIBGOAPDNDIOD-HIFRSBDPSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365919059 953407745 /nfs/dbraw/zinc/40/77/45/953407745.db2.gz DGZREEGNBJNHTB-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001282056247 953473614 /nfs/dbraw/zinc/47/36/14/953473614.db2.gz ANUCMENJMLKPJE-ZUEPYMLJSA-N 1 3 315.433 0.676 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1)CC(C)(C)C ZINC001366056249 953630116 /nfs/dbraw/zinc/63/01/16/953630116.db2.gz NTNULOJQHWPQAQ-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001366057480 953631910 /nfs/dbraw/zinc/63/19/10/953631910.db2.gz FOVDWDUYSIYRJQ-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1)C1CC1 ZINC001366093640 953675008 /nfs/dbraw/zinc/67/50/08/953675008.db2.gz RPLGYSQLQWULRW-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)CC1 ZINC001366097107 953680932 /nfs/dbraw/zinc/68/09/32/953680932.db2.gz CYEIRXFLFNKBNN-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001366100402 953685627 /nfs/dbraw/zinc/68/56/27/953685627.db2.gz WJWSDHCTLNASSN-HNNXBMFYSA-N 1 3 317.437 0.817 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001366134096 953725008 /nfs/dbraw/zinc/72/50/08/953725008.db2.gz UPLIHKNUUFDGDJ-ZQDZILKHSA-N 1 3 313.442 0.105 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001366181715 953789676 /nfs/dbraw/zinc/78/96/76/953789676.db2.gz RUANCOJVLARHNP-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCCN3CCN(C)CC3)C[N@@H+]2C1 ZINC001346106745 953800626 /nfs/dbraw/zinc/80/06/26/953800626.db2.gz MOBSNTWTKOTLAC-IXDOHACOSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCCN3CCN(C)CC3)C[N@H+]2C1 ZINC001346106745 953800632 /nfs/dbraw/zinc/80/06/32/953800632.db2.gz MOBSNTWTKOTLAC-IXDOHACOSA-N 1 3 322.497 0.861 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001366194482 953806029 /nfs/dbraw/zinc/80/60/29/953806029.db2.gz VBJDOQSBIYPSHF-RBSFLKMASA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCN(C)C1=O ZINC001366297689 953978871 /nfs/dbraw/zinc/97/88/71/953978871.db2.gz ZIGDJGJXWUMWDF-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCCCC1 ZINC001366319621 954016790 /nfs/dbraw/zinc/01/67/90/954016790.db2.gz DASZJOHMANQWCK-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(C)(C)C ZINC001366322000 954020989 /nfs/dbraw/zinc/02/09/89/954020989.db2.gz LGCYHUSJRUGKHS-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC1CCCCC1 ZINC001366325544 954023958 /nfs/dbraw/zinc/02/39/58/954023958.db2.gz SATUSYDATYYQEJ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCc1cccc(C(N)=O)c1 ZINC001366329275 954032356 /nfs/dbraw/zinc/03/23/56/954032356.db2.gz XFTPUHOUQQOMOT-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001366346616 954070027 /nfs/dbraw/zinc/07/00/27/954070027.db2.gz ORRLVTCRUHQMET-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001316625854 954256855 /nfs/dbraw/zinc/25/68/55/954256855.db2.gz KLFBOWLOBQSANA-BNOWGMLFSA-N 1 3 308.426 0.906 20 0 DCADHO CN(CCCNC(=O)[C@H]1CCCN1C)C(=O)C1CC[NH+](C)CC1 ZINC001283614200 954484769 /nfs/dbraw/zinc/48/47/69/954484769.db2.gz ZBZGMUJQNARCCG-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nnc(CN[C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001446946698 1013128419 /nfs/dbraw/zinc/12/84/19/1013128419.db2.gz VYBJYUKRSVMHOW-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001366764344 954797624 /nfs/dbraw/zinc/79/76/24/954797624.db2.gz BLOSMLKEGDFBEU-OLZOCXBDSA-N 1 3 300.447 0.097 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001366780180 954838469 /nfs/dbraw/zinc/83/84/69/954838469.db2.gz IMIMZRVSNGZQQY-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001366782431 954841865 /nfs/dbraw/zinc/84/18/65/954841865.db2.gz LRAORSZHRAWPJO-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CCN(C)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001366814947 954879760 /nfs/dbraw/zinc/87/97/60/954879760.db2.gz ATTIZPLQTHOBPS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001366814947 954879770 /nfs/dbraw/zinc/87/97/70/954879770.db2.gz ATTIZPLQTHOBPS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001366854649 954938265 /nfs/dbraw/zinc/93/82/65/954938265.db2.gz UPNPJJMLNXOWDO-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366854649 954938279 /nfs/dbraw/zinc/93/82/79/954938279.db2.gz UPNPJJMLNXOWDO-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CCn1cncn1 ZINC001367099882 955311294 /nfs/dbraw/zinc/31/12/94/955311294.db2.gz IDPAGSBYHLGSNE-LSDHHAIUSA-N 1 3 322.457 0.635 20 0 DCADHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@H](C)C(N)=O ZINC001367152314 955409232 /nfs/dbraw/zinc/40/92/32/955409232.db2.gz VNOXYVIULLMHAQ-IUODEOHRSA-N 1 3 320.437 0.720 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367221753 955476814 /nfs/dbraw/zinc/47/68/14/955476814.db2.gz KWLAINCXEWTSHM-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001367223752 955478663 /nfs/dbraw/zinc/47/86/63/955478663.db2.gz CDNKZNSKGBVJDO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001367285132 955588796 /nfs/dbraw/zinc/58/87/96/955588796.db2.gz HRROVLSLOBOWKN-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O)N(C)C ZINC001446957302 1013136428 /nfs/dbraw/zinc/13/64/28/1013136428.db2.gz QQLSRULSOGKOHL-UXXRCYHCSA-N 1 3 324.469 0.560 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O)N(C)C ZINC001446957302 1013136434 /nfs/dbraw/zinc/13/64/34/1013136434.db2.gz QQLSRULSOGKOHL-UXXRCYHCSA-N 1 3 324.469 0.560 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC001353272449 955998672 /nfs/dbraw/zinc/99/86/72/955998672.db2.gz ITJNBXMKUNTXEA-INIZCTEOSA-N 1 3 313.486 0.517 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)CC2(CO)CCCC2)CC1 ZINC001353272450 955998811 /nfs/dbraw/zinc/99/88/11/955998811.db2.gz ITJNBXMKUNTXEA-MRXNPFEDSA-N 1 3 313.486 0.517 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001353415763 956056125 /nfs/dbraw/zinc/05/61/25/956056125.db2.gz KABXQWLRRVEBTG-HUUCEWRRSA-N 1 3 312.458 0.615 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001413872093 956784314 /nfs/dbraw/zinc/78/43/14/956784314.db2.gz QIAHTUUATIVNLF-HNNXBMFYSA-N 1 3 303.406 0.951 20 0 DCADHO COc1ccc([C@H](CNC(=O)CNCC[NH3+])N2CCCC2)cc1 ZINC001357325762 957248547 /nfs/dbraw/zinc/24/85/47/957248547.db2.gz DBNSQUUVEBUSTR-INIZCTEOSA-N 1 3 320.437 0.497 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNC(=O)[C@H]2CCCN2C)C1 ZINC001357993870 957413039 /nfs/dbraw/zinc/41/30/39/957413039.db2.gz MPDAVKDTYVPNPQ-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNC(=O)[C@H]2CCCN2C)C1 ZINC001357993870 957413044 /nfs/dbraw/zinc/41/30/44/957413044.db2.gz MPDAVKDTYVPNPQ-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001294322928 957513849 /nfs/dbraw/zinc/51/38/49/957513849.db2.gz CGMKIUNXYFWBHJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001294322928 957513853 /nfs/dbraw/zinc/51/38/53/957513853.db2.gz CGMKIUNXYFWBHJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367422581 957797985 /nfs/dbraw/zinc/79/79/85/957797985.db2.gz GYVAQYFUJNJXJT-GXTWGEPZSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1scnc1C)N(C)C ZINC001367619879 958192778 /nfs/dbraw/zinc/19/27/78/958192778.db2.gz HKSQELDRSDLVJB-NEPJUHHUSA-N 1 3 314.455 0.358 20 0 DCADHO C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001367636571 958239993 /nfs/dbraw/zinc/23/99/93/958239993.db2.gz DSHXYSODCVPVGT-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CCc1[nH]ccc1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001367673478 958332216 /nfs/dbraw/zinc/33/22/16/958332216.db2.gz YVTCWEYDQICSRR-GFCCVEGCSA-N 1 3 306.410 0.907 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367707975 958412575 /nfs/dbraw/zinc/41/25/75/958412575.db2.gz VJYDYSXYMAPUFG-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001367714997 958428976 /nfs/dbraw/zinc/42/89/76/958428976.db2.gz GZUZCTVOXOUHCB-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367849537 958705590 /nfs/dbraw/zinc/70/55/90/958705590.db2.gz MGASHEVDXIFBRM-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367849537 958705603 /nfs/dbraw/zinc/70/56/03/958705603.db2.gz MGASHEVDXIFBRM-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)N1CCCC1)C1CC1 ZINC001367909925 958841340 /nfs/dbraw/zinc/84/13/40/958841340.db2.gz IAXXCMBJMMVGSB-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001376948861 959189046 /nfs/dbraw/zinc/18/90/46/959189046.db2.gz LHVGEXAEKGNWLA-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001368114511 959269655 /nfs/dbraw/zinc/26/96/55/959269655.db2.gz HFXFMUVEQPZPLK-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001368146608 959323536 /nfs/dbraw/zinc/32/35/36/959323536.db2.gz QDMLNHSYLMVCQN-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001368146608 959323553 /nfs/dbraw/zinc/32/35/53/959323553.db2.gz QDMLNHSYLMVCQN-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccnn1C ZINC001377067642 959422788 /nfs/dbraw/zinc/42/27/88/959422788.db2.gz OSSFMCMTVWWXBK-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)CN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368215871 959457523 /nfs/dbraw/zinc/45/75/23/959457523.db2.gz FXFPNZSWHQTGIU-YOEHRIQHSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001368215871 959457530 /nfs/dbraw/zinc/45/75/30/959457530.db2.gz FXFPNZSWHQTGIU-YOEHRIQHSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)CCC1 ZINC001368412904 959828496 /nfs/dbraw/zinc/82/84/96/959828496.db2.gz NJZUORYASNLQJM-JOCQHMNTSA-N 1 3 310.442 0.221 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001368484853 959928759 /nfs/dbraw/zinc/92/87/59/959928759.db2.gz HSLOMSOIFYOVMR-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001368484853 959928766 /nfs/dbraw/zinc/92/87/66/959928766.db2.gz HSLOMSOIFYOVMR-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC(C)C)CCC1)N(C)C ZINC001368490487 959935487 /nfs/dbraw/zinc/93/54/87/959935487.db2.gz VXBGJPKSQVTDND-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnn(C)c1 ZINC001377454265 960128095 /nfs/dbraw/zinc/12/80/95/960128095.db2.gz XKZOHJWEHMWMMH-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NCc1nccn1C)[NH+](C)C ZINC001368751031 960225900 /nfs/dbraw/zinc/22/59/00/960225900.db2.gz WTBMKRFZQSLTAR-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001377591455 960328509 /nfs/dbraw/zinc/32/85/09/960328509.db2.gz JWAWULZTLJBCCG-TZMCWYRMSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001377614319 960355826 /nfs/dbraw/zinc/35/58/26/960355826.db2.gz QEYGHHBIIXTLLF-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCn2cncn2)C1)N(C)C ZINC001377757843 960587215 /nfs/dbraw/zinc/58/72/15/960587215.db2.gz IINYXMIPXZCMEJ-HUUCEWRRSA-N 1 3 322.457 0.399 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CCn2cncn2)C1)N(C)C ZINC001377757843 960587229 /nfs/dbraw/zinc/58/72/29/960587229.db2.gz IINYXMIPXZCMEJ-HUUCEWRRSA-N 1 3 322.457 0.399 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001378450878 960780614 /nfs/dbraw/zinc/78/06/14/960780614.db2.gz FAGRJAFLAZXLSK-IHRRRGAJSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001377877095 960880366 /nfs/dbraw/zinc/88/03/66/960880366.db2.gz FFNDKPVUDKBYAV-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001378510759 960905574 /nfs/dbraw/zinc/90/55/74/960905574.db2.gz HAQRMMXVYKDAPK-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001378510759 960905582 /nfs/dbraw/zinc/90/55/82/960905582.db2.gz HAQRMMXVYKDAPK-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001378607255 961113511 /nfs/dbraw/zinc/11/35/11/961113511.db2.gz AKKIMUUPHKRUEY-HIFRSBDPSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001430196713 1013231746 /nfs/dbraw/zinc/23/17/46/1013231746.db2.gz JOQDZPBPUGKULU-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001378699939 961305552 /nfs/dbraw/zinc/30/55/52/961305552.db2.gz IMVPZGIHZPFAIC-FPCVCCKLSA-N 1 3 323.481 0.926 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001378699939 961305572 /nfs/dbraw/zinc/30/55/72/961305572.db2.gz IMVPZGIHZPFAIC-FPCVCCKLSA-N 1 3 323.481 0.926 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001430217210 1013257000 /nfs/dbraw/zinc/25/70/00/1013257000.db2.gz TWSFIMDDECYZAP-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001430217210 1013257005 /nfs/dbraw/zinc/25/70/05/1013257005.db2.gz TWSFIMDDECYZAP-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nncn1C ZINC001378899369 961677492 /nfs/dbraw/zinc/67/74/92/961677492.db2.gz BUHXYSVXLNWWTD-QWHCGFSZSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001363792894 961894679 /nfs/dbraw/zinc/89/46/79/961894679.db2.gz KPYQUZVVUXJWCJ-XFIYOXNOSA-N 1 3 309.454 0.915 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001363792894 961894701 /nfs/dbraw/zinc/89/47/01/961894701.db2.gz KPYQUZVVUXJWCJ-XFIYOXNOSA-N 1 3 309.454 0.915 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC001363792894 961894726 /nfs/dbraw/zinc/89/47/26/961894726.db2.gz KPYQUZVVUXJWCJ-XFIYOXNOSA-N 1 3 309.454 0.915 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC001363792894 961894748 /nfs/dbraw/zinc/89/47/48/961894748.db2.gz KPYQUZVVUXJWCJ-XFIYOXNOSA-N 1 3 309.454 0.915 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001363804085 961920223 /nfs/dbraw/zinc/92/02/23/961920223.db2.gz PDEHXTOYPMXFHD-OWCLPIDISA-N 1 3 305.422 0.500 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001363804085 961920234 /nfs/dbraw/zinc/92/02/34/961920234.db2.gz PDEHXTOYPMXFHD-OWCLPIDISA-N 1 3 305.422 0.500 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001379871726 962185947 /nfs/dbraw/zinc/18/59/47/962185947.db2.gz LTPOCROBJOFLEO-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001379871726 962185961 /nfs/dbraw/zinc/18/59/61/962185961.db2.gz LTPOCROBJOFLEO-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001379941393 962349290 /nfs/dbraw/zinc/34/92/90/962349290.db2.gz UTCAWVFGNNYNEZ-STQMWFEESA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001379941393 962349306 /nfs/dbraw/zinc/34/93/06/962349306.db2.gz UTCAWVFGNNYNEZ-STQMWFEESA-N 1 3 306.414 0.049 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)CC1CCOCC1)C(=O)Cc1c[nH]cn1 ZINC001379959397 962393449 /nfs/dbraw/zinc/39/34/49/962393449.db2.gz HGDRDYFUFYLTQA-OAHLLOKOSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)CC1CCOCC1)C(=O)Cc1c[nH]cn1 ZINC001379959397 962393470 /nfs/dbraw/zinc/39/34/70/962393470.db2.gz HGDRDYFUFYLTQA-OAHLLOKOSA-N 1 3 324.425 0.130 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC001380158232 962789122 /nfs/dbraw/zinc/78/91/22/962789122.db2.gz BCERAWNYRZGXQZ-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC001380175292 962826863 /nfs/dbraw/zinc/82/68/63/962826863.db2.gz BTBBNOAJRCMFGX-UHFFFAOYSA-N 1 3 321.469 0.883 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CC[C@H]2CCCO2)CCC1 ZINC001379412083 962868003 /nfs/dbraw/zinc/86/80/03/962868003.db2.gz PVEUHBOWMICGDN-UONOGXRCSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001379420109 962885912 /nfs/dbraw/zinc/88/59/12/962885912.db2.gz FGQRAQDYQLZILK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001380268365 962954972 /nfs/dbraw/zinc/95/49/72/962954972.db2.gz SIHYUFATCBEIMC-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001380268365 962954983 /nfs/dbraw/zinc/95/49/83/962954983.db2.gz SIHYUFATCBEIMC-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001380269609 962961778 /nfs/dbraw/zinc/96/17/78/962961778.db2.gz KKEQAODFLOOTJM-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001380283798 962988588 /nfs/dbraw/zinc/98/85/88/962988588.db2.gz NVSJCIHPNGXZRV-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001379523037 963124824 /nfs/dbraw/zinc/12/48/24/963124824.db2.gz SYUAKVKNTHHHKV-GARJFASQSA-N 1 3 313.364 0.734 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)[C@H]1C ZINC001379567887 963191950 /nfs/dbraw/zinc/19/19/50/963191950.db2.gz KIASGZPGOJHTQH-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001380456503 963214327 /nfs/dbraw/zinc/21/43/27/963214327.db2.gz ICYZRUIJIMNXIL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001380456503 963214338 /nfs/dbraw/zinc/21/43/38/963214338.db2.gz ICYZRUIJIMNXIL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001379591752 963231833 /nfs/dbraw/zinc/23/18/33/963231833.db2.gz VVGWVTNJJDNLKU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CC2CC2)C1)CC(C)(C)C ZINC001380555652 963356463 /nfs/dbraw/zinc/35/64/63/963356463.db2.gz GSDCIPWVGIQRLZ-QGZVFWFLSA-N 1 3 311.470 0.927 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1)CC(C)(C)C ZINC001380555652 963356468 /nfs/dbraw/zinc/35/64/68/963356468.db2.gz GSDCIPWVGIQRLZ-QGZVFWFLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001380687126 963491160 /nfs/dbraw/zinc/49/11/60/963491160.db2.gz NHVUXMQDPZQOLN-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO Cc1ncc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cn1 ZINC001447543296 1013464952 /nfs/dbraw/zinc/46/49/52/1013464952.db2.gz OIZCCJLSDKNKJK-SWLSCSKDSA-N 1 3 305.426 0.673 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001447538654 1013463275 /nfs/dbraw/zinc/46/32/75/1013463275.db2.gz JJGOMBWVDSYAOF-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001375138793 964041810 /nfs/dbraw/zinc/04/18/10/964041810.db2.gz ZYWUAKLJMGWUMK-AWEZNQCLSA-N 1 3 305.426 0.415 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001375215307 964135320 /nfs/dbraw/zinc/13/53/20/964135320.db2.gz QFLPKZZPXQOQSC-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+][C@H]1CCCNC1=O)C1CC1)C1CCC1 ZINC001375229599 964155497 /nfs/dbraw/zinc/15/54/97/964155497.db2.gz ODLPGWNVZWEKRR-GJZGRUSLSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCn1cccn1 ZINC001368950718 964177785 /nfs/dbraw/zinc/17/77/85/964177785.db2.gz DRMIIBHXBOVHTQ-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCn1cccn1 ZINC001368950718 964177794 /nfs/dbraw/zinc/17/77/94/964177794.db2.gz DRMIIBHXBOVHTQ-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(=O)NC2CC2)C2CC2)C1 ZINC001375257216 964179822 /nfs/dbraw/zinc/17/98/22/964179822.db2.gz XXNNJEZJSZHIIR-WFASDCNBSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)CCc1ccnn1C ZINC001368989913 964250430 /nfs/dbraw/zinc/25/04/30/964250430.db2.gz HBZMLDQIHKHWJJ-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CCc1ccnn1C ZINC001368989913 964250441 /nfs/dbraw/zinc/25/04/41/964250441.db2.gz HBZMLDQIHKHWJJ-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001369154531 964465794 /nfs/dbraw/zinc/46/57/94/964465794.db2.gz FDIMHRVNMJJHFJ-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001369154531 964465800 /nfs/dbraw/zinc/46/58/00/964465800.db2.gz FDIMHRVNMJJHFJ-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](NCCF)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001369157177 964468484 /nfs/dbraw/zinc/46/84/84/964468484.db2.gz SVTJMXXGXQGHLR-JSGCOSHPSA-N 1 3 301.406 0.503 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2C1)C1CCC1 ZINC001369170531 964484278 /nfs/dbraw/zinc/48/42/78/964484278.db2.gz ZYWBZYGDFTZZGD-BFHYXJOUSA-N 1 3 322.453 0.173 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2C1)C1CCC1 ZINC001369170531 964484288 /nfs/dbraw/zinc/48/42/88/964484288.db2.gz ZYWBZYGDFTZZGD-BFHYXJOUSA-N 1 3 322.453 0.173 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001369184609 964501691 /nfs/dbraw/zinc/50/16/91/964501691.db2.gz FGMHZGGYAMKALM-KKUMJFAQSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cnn(C)c1 ZINC001373750599 964575720 /nfs/dbraw/zinc/57/57/20/964575720.db2.gz CFGYCAXLJLBJAJ-BPLDGKMQSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cnn(C)c1 ZINC001373750599 964575731 /nfs/dbraw/zinc/57/57/31/964575731.db2.gz CFGYCAXLJLBJAJ-BPLDGKMQSA-N 1 3 307.442 0.745 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001369290476 964661887 /nfs/dbraw/zinc/66/18/87/964661887.db2.gz IGFFGCMRPWYAPH-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001373913567 964779545 /nfs/dbraw/zinc/77/95/45/964779545.db2.gz XARNCWJBZZWVKS-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1cc(F)ccc1CN[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001369345612 964793577 /nfs/dbraw/zinc/79/35/77/964793577.db2.gz HNMWSBXEOJRIFD-HNNXBMFYSA-N 1 3 311.401 0.653 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001373950726 964809098 /nfs/dbraw/zinc/80/90/98/964809098.db2.gz RDRLBDSCNQJXDG-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCCC1 ZINC001375764548 964812384 /nfs/dbraw/zinc/81/23/84/964812384.db2.gz FDHMPVVCRKTKCV-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCCC1 ZINC001375764548 964812407 /nfs/dbraw/zinc/81/24/07/964812407.db2.gz FDHMPVVCRKTKCV-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001375767865 964819324 /nfs/dbraw/zinc/81/93/24/964819324.db2.gz IZYVIHULTQGDSI-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001373973001 964837408 /nfs/dbraw/zinc/83/74/08/964837408.db2.gz QPVWFWPTLPKCJY-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@H]1C ZINC001369391727 964882146 /nfs/dbraw/zinc/88/21/46/964882146.db2.gz NFYSTWDZIBKZLH-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001369412216 964928730 /nfs/dbraw/zinc/92/87/30/964928730.db2.gz XEHNLOQXRIELAC-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001369429748 964964268 /nfs/dbraw/zinc/96/42/68/964964268.db2.gz YRZWLIWFISJAST-QWHCGFSZSA-N 1 3 312.458 0.324 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1)N(C)C ZINC001369438933 964974037 /nfs/dbraw/zinc/97/40/37/964974037.db2.gz DFARRRIHYZZOOY-STQMWFEESA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1 ZINC001369442327 964980612 /nfs/dbraw/zinc/98/06/12/964980612.db2.gz ICILJVYUMVQBTC-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C)C(N)=O ZINC001369453198 965002080 /nfs/dbraw/zinc/00/20/80/965002080.db2.gz FEHFPVAODWDBHR-CHWSQXEVSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001374099963 965014762 /nfs/dbraw/zinc/01/47/62/965014762.db2.gz SHILRHQIWBUJDV-ZFWWWQNUSA-N 1 3 322.453 0.567 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374225994 965156890 /nfs/dbraw/zinc/15/68/90/965156890.db2.gz PCVNJVONXXBOLW-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374225994 965156895 /nfs/dbraw/zinc/15/68/95/965156895.db2.gz PCVNJVONXXBOLW-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001374225959 965157078 /nfs/dbraw/zinc/15/70/78/965157078.db2.gz OVVCEBPTYYHKHS-FZMZJTMJSA-N 1 3 320.441 0.391 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)CN(C)C1CCC1 ZINC001374236619 965167602 /nfs/dbraw/zinc/16/76/02/965167602.db2.gz YGWRDFCNQMMVGQ-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001374235942 965168611 /nfs/dbraw/zinc/16/86/11/965168611.db2.gz VTIHQWHESKUOMO-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001369564284 965175853 /nfs/dbraw/zinc/17/58/53/965175853.db2.gz YSEAMLVJNPHTFG-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374277633 965215422 /nfs/dbraw/zinc/21/54/22/965215422.db2.gz DXNNMKIHKUHVRT-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374277633 965215429 /nfs/dbraw/zinc/21/54/29/965215429.db2.gz DXNNMKIHKUHVRT-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374281107 965221041 /nfs/dbraw/zinc/22/10/41/965221041.db2.gz NIRUSGARQJWVJU-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374281107 965221054 /nfs/dbraw/zinc/22/10/54/965221054.db2.gz NIRUSGARQJWVJU-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374284239 965223833 /nfs/dbraw/zinc/22/38/33/965223833.db2.gz TZNJPMOETCZYQC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374284239 965223841 /nfs/dbraw/zinc/22/38/41/965223841.db2.gz TZNJPMOETCZYQC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374311528 965264043 /nfs/dbraw/zinc/26/40/43/965264043.db2.gz HGLXTPRAEWCULT-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374311528 965264057 /nfs/dbraw/zinc/26/40/57/965264057.db2.gz HGLXTPRAEWCULT-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(=O)NC1CC1 ZINC001374395116 965339288 /nfs/dbraw/zinc/33/92/88/965339288.db2.gz JHFLCWQNBZDTDU-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)c1 ZINC001376272920 965465898 /nfs/dbraw/zinc/46/58/98/965465898.db2.gz HESHNPKKGDKZAS-OAHLLOKOSA-N 1 3 318.421 0.332 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](C)CC)C1)N(C)C ZINC001376378689 965590707 /nfs/dbraw/zinc/59/07/07/965590707.db2.gz WPJWMYZRTFUQRS-XDQVBPFNSA-N 1 3 312.458 0.478 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@]23CCOC3)C1 ZINC001376403035 965617562 /nfs/dbraw/zinc/61/75/62/965617562.db2.gz RLIVPMSRIQXQTN-ANQUJSFKSA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C)N(C)C ZINC001374667183 965727948 /nfs/dbraw/zinc/72/79/48/965727948.db2.gz BZUWLZHKSXYGRK-HOTGVXAUSA-N 1 3 307.438 0.902 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)n[nH]1 ZINC001370266057 965935353 /nfs/dbraw/zinc/93/53/53/965935353.db2.gz PKHXTJAETVDFPN-CYBMUJFWSA-N 1 3 318.425 0.193 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1cncn1C ZINC001447876096 1013617390 /nfs/dbraw/zinc/61/73/90/1013617390.db2.gz WYGCFDJXXCDWEQ-CHWSQXEVSA-N 1 3 307.442 0.887 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001376705555 966027437 /nfs/dbraw/zinc/02/74/37/966027437.db2.gz JBRDYEHJRLVBFN-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001370388562 966071436 /nfs/dbraw/zinc/07/14/36/966071436.db2.gz AOIUNLVEXBRRAE-RDBSUJKOSA-N 1 3 312.458 0.432 20 0 DCADHO CCCC[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001370406387 966088358 /nfs/dbraw/zinc/08/83/58/966088358.db2.gz SUIDVXBVJLEWOV-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001376752494 966117528 /nfs/dbraw/zinc/11/75/28/966117528.db2.gz SEVXRMBFBSPXFC-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](NCc1cnnn1C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447907334 1013640991 /nfs/dbraw/zinc/64/09/91/1013640991.db2.gz ROVOHQOOXFSYJB-RYUDHWBXSA-N 1 3 308.430 0.140 20 0 DCADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001447909969 1013642821 /nfs/dbraw/zinc/64/28/21/1013642821.db2.gz PLCIILWLBNIOCE-QWHCGFSZSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)CCn1cccn1)[NH+](C)C ZINC001375093935 966346133 /nfs/dbraw/zinc/34/61/33/966346133.db2.gz IDHXGILJBXSKCJ-LSDHHAIUSA-N 1 3 309.458 0.906 20 0 DCADHO Cc1nc(CN[C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001381424059 966401680 /nfs/dbraw/zinc/40/16/80/966401680.db2.gz UNCASGFVAOKGQR-MNOVXSKESA-N 1 3 308.430 0.438 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001370716297 966409436 /nfs/dbraw/zinc/40/94/36/966409436.db2.gz ALAKRBVVKXMBQR-BYNSBNAKSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001381435543 966415771 /nfs/dbraw/zinc/41/57/71/966415771.db2.gz HTJKQSFDWCXBLK-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001381480948 966450577 /nfs/dbraw/zinc/45/05/77/966450577.db2.gz GCOYZWHEMMCJIP-NSHDSACASA-N 1 3 309.414 0.161 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001447927422 1013654233 /nfs/dbraw/zinc/65/42/33/1013654233.db2.gz SCYGDXKTXCKWQC-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001370804188 966496296 /nfs/dbraw/zinc/49/62/96/966496296.db2.gz GYWKRNBOAREGQG-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001370843198 966531073 /nfs/dbraw/zinc/53/10/73/966531073.db2.gz XWPJPSPLGHKDOW-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC1 ZINC001370935479 966598360 /nfs/dbraw/zinc/59/83/60/966598360.db2.gz ANYJBPBHZOENSG-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]3C2)cn1 ZINC001381916075 966778128 /nfs/dbraw/zinc/77/81/28/966778128.db2.gz LZFWFJZAUAWKSW-PHZGNYQRSA-N 1 3 319.453 0.556 20 0 DCADHO CN(CC(C)(C)C[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1c[nH]cn1 ZINC001447970681 1013675703 /nfs/dbraw/zinc/67/57/03/1013675703.db2.gz JQUCTAMFESWVRP-CYBMUJFWSA-N 1 3 321.425 0.305 20 0 DCADHO CCCN(C)CC(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001371211418 966805431 /nfs/dbraw/zinc/80/54/31/966805431.db2.gz MWUWOZKBDMEERO-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001382094606 966933185 /nfs/dbraw/zinc/93/31/85/966933185.db2.gz RZETZOHVNWOWGF-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO COc1cc(CN[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001371469968 967018452 /nfs/dbraw/zinc/01/84/52/967018452.db2.gz IZSPIBKCWMMLHH-OCCSQVGLSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CN[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001371469968 967018464 /nfs/dbraw/zinc/01/84/64/967018464.db2.gz IZSPIBKCWMMLHH-OCCSQVGLSA-N 1 3 306.410 0.636 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001371545829 967105949 /nfs/dbraw/zinc/10/59/49/967105949.db2.gz QIEQEFGDUBAKNC-ZFWWWQNUSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001382300283 967182399 /nfs/dbraw/zinc/18/23/99/967182399.db2.gz CJZFOXQUBGNPGM-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@H]1C ZINC001382302808 967188532 /nfs/dbraw/zinc/18/85/32/967188532.db2.gz KTGNWXKXWFCHGJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001382306301 967191594 /nfs/dbraw/zinc/19/15/94/967191594.db2.gz BHPHXJMDEBLFHY-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001371637717 967191925 /nfs/dbraw/zinc/19/19/25/967191925.db2.gz OJQJYIXVUXASSA-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCn1cccn1 ZINC001382359700 967262005 /nfs/dbraw/zinc/26/20/05/967262005.db2.gz OUVJLOKPJQFTIU-LSDHHAIUSA-N 1 3 307.442 0.804 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001382380142 967294502 /nfs/dbraw/zinc/29/45/02/967294502.db2.gz SVOMBHAZIUXSHL-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001382380142 967294510 /nfs/dbraw/zinc/29/45/10/967294510.db2.gz SVOMBHAZIUXSHL-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001371769857 967326212 /nfs/dbraw/zinc/32/62/12/967326212.db2.gz LMJBMYLSXCTGIW-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@H]1CCCCO1 ZINC001371967287 967497009 /nfs/dbraw/zinc/49/70/09/967497009.db2.gz ABSNXHOYBWFTTF-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C1CC1 ZINC001382591281 967527254 /nfs/dbraw/zinc/52/72/54/967527254.db2.gz VGFQMPIUBIFUGZ-UHFFFAOYSA-N 1 3 322.453 0.282 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001448036276 1013729352 /nfs/dbraw/zinc/72/93/52/1013729352.db2.gz IZQVMKIMDVIVLC-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001448036276 1013729355 /nfs/dbraw/zinc/72/93/55/1013729355.db2.gz IZQVMKIMDVIVLC-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C[C@@H]1CCc2ncnn21)[NH+](C)C ZINC001372113004 967656418 /nfs/dbraw/zinc/65/64/18/967656418.db2.gz LJJNTVFHROYVHS-DZGCQCFKSA-N 1 3 322.457 0.400 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC)N(C)C ZINC001372734516 968304022 /nfs/dbraw/zinc/30/40/22/968304022.db2.gz OCIJSPVTFQJADG-CTASWTNQSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC)N(C)C ZINC001372734516 968304031 /nfs/dbraw/zinc/30/40/31/968304031.db2.gz OCIJSPVTFQJADG-CTASWTNQSA-N 1 3 324.469 0.241 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001373456447 969115369 /nfs/dbraw/zinc/11/53/69/969115369.db2.gz WHBVKCOFWPBGAM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001373456447 969115372 /nfs/dbraw/zinc/11/53/72/969115372.db2.gz WHBVKCOFWPBGAM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)CCCN1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001448331659 1013874874 /nfs/dbraw/zinc/87/48/74/1013874874.db2.gz VDKOTZVNMJUIPN-ZIAGYGMSSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1 ZINC001448474832 1013925674 /nfs/dbraw/zinc/92/56/74/1013925674.db2.gz BDSLLBSEBWEVPD-CALCHBBNSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](CCCO)C[C@]2(C)C1 ZINC001448474832 1013925675 /nfs/dbraw/zinc/92/56/75/1013925675.db2.gz BDSLLBSEBWEVPD-CALCHBBNSA-N 1 3 311.470 0.879 20 0 DCADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001448536579 1013945387 /nfs/dbraw/zinc/94/53/87/1013945387.db2.gz RNQHLRIDYODRIG-AWEZNQCLSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001448512715 1013937364 /nfs/dbraw/zinc/93/73/64/1013937364.db2.gz GEDOWXSOGQCVJE-JOCQHMNTSA-N 1 3 308.430 0.141 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001448527514 1013943803 /nfs/dbraw/zinc/94/38/03/1013943803.db2.gz GITTXTAFSHHHND-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001448527514 1013943804 /nfs/dbraw/zinc/94/38/04/1013943804.db2.gz GITTXTAFSHHHND-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001448979503 1014116485 /nfs/dbraw/zinc/11/64/85/1014116485.db2.gz JJTHCYHDBRWSKI-DZGCQCFKSA-N 1 3 307.442 0.759 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549121991 1014140975 /nfs/dbraw/zinc/14/09/75/1014140975.db2.gz AWEHRMQOFPHTOY-MLGOLLRUSA-N 1 3 303.362 0.343 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549169707 1014158817 /nfs/dbraw/zinc/15/88/17/1014158817.db2.gz CXWDFVGNEVEFBI-JSGCOSHPSA-N 1 3 306.414 0.290 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)C2)nn1 ZINC001549170959 1014160950 /nfs/dbraw/zinc/16/09/50/1014160950.db2.gz YIEHNLWXOJSXLT-IIAWOOMASA-N 1 3 318.425 0.290 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[C@@H]1F ZINC001549209312 1014171510 /nfs/dbraw/zinc/17/15/10/1014171510.db2.gz MHHILTCOMONFPE-ZNMIVQPWSA-N 1 3 306.385 0.954 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)N(C)C ZINC001449094156 1014183985 /nfs/dbraw/zinc/18/39/85/1014183985.db2.gz MMICMTWMQSQZCW-CHWSQXEVSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)(C)[C@H](CN[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001449331780 1014417772 /nfs/dbraw/zinc/41/77/72/1014417772.db2.gz RNFLVSIYMBYJCE-STQMWFEESA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@@H+]1C ZINC001549797769 1014460627 /nfs/dbraw/zinc/46/06/27/1014460627.db2.gz VNWDVXINKYFXFS-HZPDHXFCSA-N 1 3 308.470 0.423 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@H+]1C ZINC001549797769 1014460632 /nfs/dbraw/zinc/46/06/32/1014460632.db2.gz VNWDVXINKYFXFS-HZPDHXFCSA-N 1 3 308.470 0.423 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)CCC3CC[NH2+]CC3)C2)nn1 ZINC001550094610 1014562875 /nfs/dbraw/zinc/56/28/75/1014562875.db2.gz VGRFLDDBHYARIQ-CQSZACIVSA-N 1 3 306.414 0.290 20 0 DCADHO N[C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCOCC1 ZINC001550114361 1014581099 /nfs/dbraw/zinc/58/10/99/1014581099.db2.gz BQNXXJQKAFACMU-KGLIPLIRSA-N 1 3 311.426 0.015 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC001550201861 1014626322 /nfs/dbraw/zinc/62/63/22/1014626322.db2.gz JMJZFAQYLHRSNH-UHFFFAOYSA-N 1 3 308.426 0.200 20 0 DCADHO [NH3+][C@@H]1COCC[C@@H]1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001550265428 1014641678 /nfs/dbraw/zinc/64/16/78/1014641678.db2.gz GTRXBMZQROYGNZ-ILXRZTDVSA-N 1 3 304.394 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O)N(C)C ZINC001550482207 1014726141 /nfs/dbraw/zinc/72/61/41/1014726141.db2.gz YKWFLCDCSDQCPH-GAGVYUBLSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O)N(C)C ZINC001550482207 1014726152 /nfs/dbraw/zinc/72/61/52/1014726152.db2.gz YKWFLCDCSDQCPH-GAGVYUBLSA-N 1 3 311.470 0.923 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001530553102 1014803760 /nfs/dbraw/zinc/80/37/60/1014803760.db2.gz PHPMPBHIKDKOOB-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO [NH3+][C@@H]1CCOC[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550752998 1014838432 /nfs/dbraw/zinc/83/84/32/1014838432.db2.gz ADFMPJXFJMMSTC-RBSFLKMASA-N 1 3 304.394 0.116 20 0 DCADHO [NH3+][C@]1(CO)CCCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC001550765014 1014854685 /nfs/dbraw/zinc/85/46/85/1014854685.db2.gz RYGQEGFTCQSINV-NVXWUHKLSA-N 1 3 318.421 0.196 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1)[NH+](C)C ZINC001450496419 1015175049 /nfs/dbraw/zinc/17/50/49/1015175049.db2.gz DLCSOGZEQOEUNE-XJKSGUPXSA-N 1 3 324.469 0.241 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001385329776 986258285 /nfs/dbraw/zinc/25/82/85/986258285.db2.gz XEZXIQSYSFHAGQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385329776 986258296 /nfs/dbraw/zinc/25/82/96/986258296.db2.gz XEZXIQSYSFHAGQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001385735909 986559527 /nfs/dbraw/zinc/55/95/27/986559527.db2.gz MILUKFVCSKESMO-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@H](NC(=O)N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC001552063569 1015253250 /nfs/dbraw/zinc/25/32/50/1015253250.db2.gz SEHRFMNIMSYLCS-XHSDSOJGSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001386287641 987039606 /nfs/dbraw/zinc/03/96/06/987039606.db2.gz IDKVAPVGBMZXQU-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001386287641 987039617 /nfs/dbraw/zinc/03/96/17/987039617.db2.gz IDKVAPVGBMZXQU-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001386863414 987462279 /nfs/dbraw/zinc/46/22/79/987462279.db2.gz UKWRALJGIWDYGS-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)CNC(=O)C1(N(C)C)CCC1 ZINC001532238326 1015318603 /nfs/dbraw/zinc/31/86/03/1015318603.db2.gz XXBJFSXNOZCRPE-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)CNC(=O)C1(N(C)C)CCC1 ZINC001532238326 1015318610 /nfs/dbraw/zinc/31/86/10/1015318610.db2.gz XXBJFSXNOZCRPE-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)N(C)C)cc1 ZINC001552200009 1015320175 /nfs/dbraw/zinc/32/01/75/1015320175.db2.gz KQJOJIFBGUINNX-SOLBZPMBSA-N 1 3 317.433 0.950 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001387743302 988109792 /nfs/dbraw/zinc/10/97/92/988109792.db2.gz KRTLTFGHVGOARI-BBRMVZONSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001387743302 988109797 /nfs/dbraw/zinc/10/97/97/988109797.db2.gz KRTLTFGHVGOARI-BBRMVZONSA-N 1 3 324.469 0.241 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001388728237 988544231 /nfs/dbraw/zinc/54/42/31/988544231.db2.gz ZCBVYHZHVLCPFY-CTYIDZIISA-N 1 3 305.426 0.721 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001388789263 988597666 /nfs/dbraw/zinc/59/76/66/988597666.db2.gz FBQSBQOKOHIBEH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001389267863 989052125 /nfs/dbraw/zinc/05/21/25/989052125.db2.gz KFFIPYFREIWZFJ-HZSPNIEDSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001389267863 989052137 /nfs/dbraw/zinc/05/21/37/989052137.db2.gz KFFIPYFREIWZFJ-HZSPNIEDSA-N 1 3 312.458 0.145 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001389405371 989206492 /nfs/dbraw/zinc/20/64/92/989206492.db2.gz BQNCAVTZCFJKHE-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc([C@@H](C)N[C@H](CNC(=O)CC[NH+](C)C)C2CC2)n[nH]1 ZINC001389641008 989457346 /nfs/dbraw/zinc/45/73/46/989457346.db2.gz KSKYSUBLHXYOIZ-ZWNOBZJWSA-N 1 3 308.430 0.610 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001389672514 989480182 /nfs/dbraw/zinc/48/01/82/989480182.db2.gz TXUQLLREOZKENU-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001389705996 989506667 /nfs/dbraw/zinc/50/66/67/989506667.db2.gz AILRGFKJJVOBCH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001389705996 989506670 /nfs/dbraw/zinc/50/66/70/989506670.db2.gz AILRGFKJJVOBCH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001389739227 989532797 /nfs/dbraw/zinc/53/27/97/989532797.db2.gz AMBSEMUYGFJPOG-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO [NH3+][C@H]1CCO[C@@H]1C1CCN(Cc2cnn3c2CNCC3)CC1 ZINC001552687555 1015490683 /nfs/dbraw/zinc/49/06/83/1015490683.db2.gz RSQZIYPZALJJGN-GOEBONIOSA-N 1 3 305.426 0.315 20 0 DCADHO CCO[C@H]1CN(C(=O)c2cc(CN)n3c2CCCC3)C[C@H]1C[NH3+] ZINC001552688736 1015492416 /nfs/dbraw/zinc/49/24/16/1015492416.db2.gz BVSIIRXUNDNAQQ-WBMJQRKESA-N 1 3 320.437 0.719 20 0 DCADHO CN1CCC(NC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552691974 1015492686 /nfs/dbraw/zinc/49/26/86/1015492686.db2.gz YQAKCGFZLXDDPV-TZMCWYRMSA-N 1 3 306.414 0.545 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001389987839 989730708 /nfs/dbraw/zinc/73/07/08/989730708.db2.gz WCIZBZAMLURNIS-XJFOESAGSA-N 1 3 310.442 0.184 20 0 DCADHO Cn1ccc(CNC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001390099445 989821318 /nfs/dbraw/zinc/82/13/18/989821318.db2.gz WHRMDSRNJHMEGV-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001390113974 989833166 /nfs/dbraw/zinc/83/31/66/989833166.db2.gz PMEIYDMSLKTLQG-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]([NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001390270796 989949225 /nfs/dbraw/zinc/94/92/25/989949225.db2.gz IEOCATAZHNBPEZ-HIFPTAJRSA-N 1 3 310.442 0.362 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001390272011 989951205 /nfs/dbraw/zinc/95/12/05/989951205.db2.gz DARMZIIFLVKLRI-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001390407421 990071540 /nfs/dbraw/zinc/07/15/40/990071540.db2.gz UOEDSPCDZGMUFI-OLZOCXBDSA-N 1 3 320.441 0.344 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCCC1 ZINC001390471917 990130067 /nfs/dbraw/zinc/13/00/67/990130067.db2.gz AQXMZWUWELZYHC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CCCC1 ZINC001390473404 990131199 /nfs/dbraw/zinc/13/11/99/990131199.db2.gz DIYVKGQQTFMUTR-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001390503330 990156642 /nfs/dbraw/zinc/15/66/42/990156642.db2.gz DYEUCRSYZQAQDL-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC001390532232 990179348 /nfs/dbraw/zinc/17/93/48/990179348.db2.gz GXOUWPAIWOGMET-CYBMUJFWSA-N 1 3 320.437 0.720 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001390532547 990179833 /nfs/dbraw/zinc/17/98/33/990179833.db2.gz IFHOUBVCQXIPGH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001390565258 990203614 /nfs/dbraw/zinc/20/36/14/990203614.db2.gz JUXWUDQKJSSURC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001390565258 990203621 /nfs/dbraw/zinc/20/36/21/990203621.db2.gz JUXWUDQKJSSURC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cnc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cn1 ZINC001390599066 990233777 /nfs/dbraw/zinc/23/37/77/990233777.db2.gz XSZTYPXUQWDYQY-AWEZNQCLSA-N 1 3 305.426 0.675 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001552955778 1015575335 /nfs/dbraw/zinc/57/53/35/1015575335.db2.gz JTVPVHWEXQWPIE-GXTWGEPZSA-N 1 3 321.429 0.178 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001552955778 1015575340 /nfs/dbraw/zinc/57/53/40/1015575340.db2.gz JTVPVHWEXQWPIE-GXTWGEPZSA-N 1 3 321.429 0.178 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)[C@H]2C1 ZINC001553035360 1015594112 /nfs/dbraw/zinc/59/41/12/1015594112.db2.gz WQDIGSXTYZUWMK-BBRMVZONSA-N 1 3 307.438 0.650 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC001391503266 990900254 /nfs/dbraw/zinc/90/02/54/990900254.db2.gz DADUDVLBPZIMOB-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]CC(=O)N1CCCC1 ZINC001391698554 991109664 /nfs/dbraw/zinc/10/96/64/991109664.db2.gz PXDLWEZEXAPIEY-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001391737093 991146706 /nfs/dbraw/zinc/14/67/06/991146706.db2.gz NBAVCEPHCDHLHO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001391737093 991146711 /nfs/dbraw/zinc/14/67/11/991146711.db2.gz NBAVCEPHCDHLHO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(=O)NC ZINC001391739810 991148803 /nfs/dbraw/zinc/14/88/03/991148803.db2.gz PYAJREYMETZMHK-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCCC[C@@]1(CNCC(N)=O)NC(=O)CCC[NH+](C)C ZINC001391804147 991193838 /nfs/dbraw/zinc/19/38/38/991193838.db2.gz FWRATKXXGDJDLQ-CJNGLKHVSA-N 1 3 312.458 0.468 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001391821011 991201960 /nfs/dbraw/zinc/20/19/60/991201960.db2.gz YOGBLERKUKDZDX-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO C[NH+](C)CCCC(=O)NCCC1CCN([C@H]2CCNC2=O)CC1 ZINC001391848393 991217358 /nfs/dbraw/zinc/21/73/58/991217358.db2.gz PMDZBNMGTZDTMQ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001392023622 991405928 /nfs/dbraw/zinc/40/59/28/991405928.db2.gz NWAUMABRTDDQKX-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)CN1CCCC1 ZINC001392132278 991529810 /nfs/dbraw/zinc/52/98/10/991529810.db2.gz LFAPNBRPDKQNRG-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001392179023 991581006 /nfs/dbraw/zinc/58/10/06/991581006.db2.gz KLXHRMBEZCWQSE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C(C)C)N(C)C ZINC001392254392 991658292 /nfs/dbraw/zinc/65/82/92/991658292.db2.gz YEYFGWSLHKWXMB-UKRRQHHQSA-N 1 3 314.474 0.391 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(=O)N(C)C ZINC001392254394 991658827 /nfs/dbraw/zinc/65/88/27/991658827.db2.gz YEYFGWSLHKWXMB-ZFWWWQNUSA-N 1 3 314.474 0.391 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392481698 991988080 /nfs/dbraw/zinc/98/80/80/991988080.db2.gz CXFBCVLWRLWNOD-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001392560551 992096732 /nfs/dbraw/zinc/09/67/32/992096732.db2.gz IJRKNTJARDINHS-LRDDRELGSA-N 1 3 317.437 0.721 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001392595927 992139005 /nfs/dbraw/zinc/13/90/05/992139005.db2.gz ZDWCFLWDSIKAGM-QWHCGFSZSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001392790390 992399646 /nfs/dbraw/zinc/39/96/46/992399646.db2.gz XPFAXAOQLDVEQX-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001392961535 992584594 /nfs/dbraw/zinc/58/45/94/992584594.db2.gz FZAHVZSKYHSXSN-MELADBBJSA-N 1 3 314.474 0.534 20 0 DCADHO COC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001392966832 992589889 /nfs/dbraw/zinc/58/98/89/992589889.db2.gz MMSQNMXUTDYEDJ-ILXRZTDVSA-N 1 3 313.442 0.011 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NC2CC2)CCC1 ZINC001393050440 992651498 /nfs/dbraw/zinc/65/14/98/992651498.db2.gz XLLBVFAXMJPPNW-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCCN2C(=O)CC[NH+](C)C)cn1 ZINC001393059952 992658253 /nfs/dbraw/zinc/65/82/53/992658253.db2.gz ZMAWWLDPWUBLBO-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001393403442 992949615 /nfs/dbraw/zinc/94/96/15/992949615.db2.gz ZKAWNDHBLIJOTP-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001393407474 992954365 /nfs/dbraw/zinc/95/43/65/992954365.db2.gz FAAVUSUCSGVITF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001393407474 992954372 /nfs/dbraw/zinc/95/43/72/992954372.db2.gz FAAVUSUCSGVITF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)OC)C1 ZINC001393587815 993108559 /nfs/dbraw/zinc/10/85/59/993108559.db2.gz TWBGXORIJGMQTF-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001393599356 993115000 /nfs/dbraw/zinc/11/50/00/993115000.db2.gz XMHWJJOYTYSQBR-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CN(CCC[N@H+](C)CCc1ccnn1C)C(=O)CN1CCCC1 ZINC001393644164 993151870 /nfs/dbraw/zinc/15/18/70/993151870.db2.gz LDRFGCNFDXCVIO-UHFFFAOYSA-N 1 3 321.469 0.839 20 0 DCADHO CN(CCC[N@@H+](C)CCc1ccnn1C)C(=O)CN1CCCC1 ZINC001393644164 993151875 /nfs/dbraw/zinc/15/18/75/993151875.db2.gz LDRFGCNFDXCVIO-UHFFFAOYSA-N 1 3 321.469 0.839 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCc1cncn1C ZINC001393744734 993217367 /nfs/dbraw/zinc/21/73/67/993217367.db2.gz FLWKHUOMZZRGAU-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001393748865 993223091 /nfs/dbraw/zinc/22/30/91/993223091.db2.gz BLHAQCLLAMLHNY-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001393751434 993224390 /nfs/dbraw/zinc/22/43/90/993224390.db2.gz YRENMZHJEIARNA-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(O)(C[NH2+]CC3CC3)CC2)C1 ZINC001393774592 993243604 /nfs/dbraw/zinc/24/36/04/993243604.db2.gz WDXFJUZSQJUBBW-CQSZACIVSA-N 1 3 309.454 0.681 20 0 DCADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)COC)CC1)N(C)C ZINC001393774051 993244442 /nfs/dbraw/zinc/24/44/42/993244442.db2.gz PPXUIHUJUITFBV-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCn1cncn1 ZINC001393979966 993390073 /nfs/dbraw/zinc/39/00/73/993390073.db2.gz LSZCBAUAFKHDIJ-GHMZBOCLSA-N 1 3 305.386 0.035 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394450326 993715147 /nfs/dbraw/zinc/71/51/47/993715147.db2.gz HGAFHUIULNQPKA-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394450326 993715157 /nfs/dbraw/zinc/71/51/57/993715157.db2.gz HGAFHUIULNQPKA-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001394532035 993805566 /nfs/dbraw/zinc/80/55/66/993805566.db2.gz YCZJDBCHGFATJG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001394532035 993805569 /nfs/dbraw/zinc/80/55/69/993805569.db2.gz YCZJDBCHGFATJG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001394539043 993810679 /nfs/dbraw/zinc/81/06/79/993810679.db2.gz ISUSFBYBHDWKJA-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)N1CC[C@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399921853 993930837 /nfs/dbraw/zinc/93/08/37/993930837.db2.gz CKWAFQAOQOGVQE-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001394664073 993987815 /nfs/dbraw/zinc/98/78/15/993987815.db2.gz AVCLPHWPZZKXRN-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001399988145 994024989 /nfs/dbraw/zinc/02/49/89/994024989.db2.gz KFFIPYFREIWZFJ-RDBSUJKOSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001399988145 994024996 /nfs/dbraw/zinc/02/49/96/994024996.db2.gz KFFIPYFREIWZFJ-RDBSUJKOSA-N 1 3 312.458 0.145 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H](CN[C@H]2CCNC2=O)C(C)(C)C)CC1 ZINC001394829847 994190810 /nfs/dbraw/zinc/19/08/10/994190810.db2.gz INNIRWZQRBUJLD-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001394968953 994319079 /nfs/dbraw/zinc/31/90/79/994319079.db2.gz BISHQDJLXLYOGG-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001394972308 994319650 /nfs/dbraw/zinc/31/96/50/994319650.db2.gz RLHJGMXBAIJVNV-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001395425322 994650516 /nfs/dbraw/zinc/65/05/16/994650516.db2.gz XALSUZLHWFZSCO-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001395587914 994781578 /nfs/dbraw/zinc/78/15/78/994781578.db2.gz ZMSJUQYPGAMWDM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001395587914 994781590 /nfs/dbraw/zinc/78/15/90/994781590.db2.gz ZMSJUQYPGAMWDM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001507011161 1015889136 /nfs/dbraw/zinc/88/91/36/1015889136.db2.gz MKTJAONVGQCHHW-DGCLKSJQSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001400863032 995018827 /nfs/dbraw/zinc/01/88/27/995018827.db2.gz LEEAVDYMZWQLHT-HIFRSBDPSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001400863032 995018830 /nfs/dbraw/zinc/01/88/30/995018830.db2.gz LEEAVDYMZWQLHT-HIFRSBDPSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001400873262 995027401 /nfs/dbraw/zinc/02/74/01/995027401.db2.gz YVCLUJFFEVEJJX-SWLSCSKDSA-N 1 3 303.422 0.676 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)CC1 ZINC001401087033 995161147 /nfs/dbraw/zinc/16/11/47/995161147.db2.gz KTSIXSAUKTZUBX-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001401086217 995161891 /nfs/dbraw/zinc/16/18/91/995161891.db2.gz KSCYOOBDMYDQAN-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(C)C ZINC001401091476 995168458 /nfs/dbraw/zinc/16/84/58/995168458.db2.gz UJSXRCUENCQTRF-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001396749795 995585524 /nfs/dbraw/zinc/58/55/24/995585524.db2.gz VAZGQVKEGKORAG-CQSZACIVSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](CNCC(N)=O)C1 ZINC001397171780 995840893 /nfs/dbraw/zinc/84/08/93/995840893.db2.gz LQVJUXGNTWNXRW-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001397209440 995865652 /nfs/dbraw/zinc/86/56/52/995865652.db2.gz LSFGUAXDVZJQCH-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001397209440 995865657 /nfs/dbraw/zinc/86/56/57/995865657.db2.gz LSFGUAXDVZJQCH-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001417040817 995885884 /nfs/dbraw/zinc/88/58/84/995885884.db2.gz NKUCMSWRAFINRS-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001417040817 995885888 /nfs/dbraw/zinc/88/58/88/995885888.db2.gz NKUCMSWRAFINRS-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001397321622 995917111 /nfs/dbraw/zinc/91/71/11/995917111.db2.gz DEBPTDBXKYHXNG-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001397321622 995917116 /nfs/dbraw/zinc/91/71/16/995917116.db2.gz DEBPTDBXKYHXNG-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001397631551 996107522 /nfs/dbraw/zinc/10/75/22/996107522.db2.gz MBQFZSCYXKLLSL-SOUVJXGZSA-N 1 3 320.441 0.104 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001397663577 996121845 /nfs/dbraw/zinc/12/18/45/996121845.db2.gz MHIKWWKCEVVBOF-KKUMJFAQSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398337437 996476886 /nfs/dbraw/zinc/47/68/86/996476886.db2.gz FHGKCDKBHPKYLK-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001398440263 996516873 /nfs/dbraw/zinc/51/68/73/996516873.db2.gz YHYRVEMQYYFTNE-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001398440263 996516874 /nfs/dbraw/zinc/51/68/74/996516874.db2.gz YHYRVEMQYYFTNE-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001398456237 996526415 /nfs/dbraw/zinc/52/64/15/996526415.db2.gz VWNYMDARVOJILD-GDBMZVCRSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398473741 996533922 /nfs/dbraw/zinc/53/39/22/996533922.db2.gz NLWGGTBLZFFXFL-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001398555261 996569621 /nfs/dbraw/zinc/56/96/21/996569621.db2.gz MQIBXJJPYCRACU-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(CC)C2CC2)C1)N(C)C ZINC001398629970 996612340 /nfs/dbraw/zinc/61/23/40/996612340.db2.gz VEZOGGBKNTZVRD-GUTXKFCHSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001398768984 996679528 /nfs/dbraw/zinc/67/95/28/996679528.db2.gz FSSAXTOYHMUSLN-GJZGRUSLSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001398789130 996687617 /nfs/dbraw/zinc/68/76/17/996687617.db2.gz FYLMMYUSTPUEFH-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001398789130 996687620 /nfs/dbraw/zinc/68/76/20/996687620.db2.gz FYLMMYUSTPUEFH-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)n[nH]1 ZINC001398989886 996799248 /nfs/dbraw/zinc/79/92/48/996799248.db2.gz XRMRJTAUAXJJPP-LBPRGKRZSA-N 1 3 320.441 0.583 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N1CCC1 ZINC001399042764 996879731 /nfs/dbraw/zinc/87/97/31/996879731.db2.gz XGMUUKDKGIZJJB-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCN(C)C1=O ZINC001399161644 997039187 /nfs/dbraw/zinc/03/91/87/997039187.db2.gz LJMQROLALNUUKI-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001404490590 997165316 /nfs/dbraw/zinc/16/53/16/997165316.db2.gz YQXMIQKYRXCHCH-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)CCn2cncn2)C1 ZINC001404590552 997270568 /nfs/dbraw/zinc/27/05/68/997270568.db2.gz APWXJNZMDKZTLM-OAHLLOKOSA-N 1 3 322.457 0.400 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001404590552 997270581 /nfs/dbraw/zinc/27/05/81/997270581.db2.gz APWXJNZMDKZTLM-OAHLLOKOSA-N 1 3 322.457 0.400 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)N[C@H]1CCc2c1cccc2F ZINC001507234081 1016159698 /nfs/dbraw/zinc/15/96/98/1016159698.db2.gz YRSMFXYCZNWMCC-WBMJQRKESA-N 1 3 323.412 0.831 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC(C)(C)C ZINC001405377781 998168806 /nfs/dbraw/zinc/16/88/06/998168806.db2.gz WNPFIZXZUYIJIB-ZDUSSCGKSA-N 1 3 314.474 0.726 20 0 DCADHO COCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505416545 1016222940 /nfs/dbraw/zinc/22/29/40/1016222940.db2.gz NLGBGMKEDHSRDG-DJIMGWMZSA-N 1 3 317.433 0.956 20 0 DCADHO COCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001505416545 1016222945 /nfs/dbraw/zinc/22/29/45/1016222945.db2.gz NLGBGMKEDHSRDG-DJIMGWMZSA-N 1 3 317.433 0.956 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001405772559 998549864 /nfs/dbraw/zinc/54/98/64/998549864.db2.gz HEPFMSUGJYJQLW-ZDUSSCGKSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001405772559 998549872 /nfs/dbraw/zinc/54/98/72/998549872.db2.gz HEPFMSUGJYJQLW-ZDUSSCGKSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC(C[NH+](C)C)C2)cn1 ZINC001468179265 1016229738 /nfs/dbraw/zinc/22/97/38/1016229738.db2.gz SBSQSNGVXUMQFM-HOTGVXAUSA-N 1 3 319.453 0.475 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccnn2C)[C@H]1C ZINC001507300297 1016231961 /nfs/dbraw/zinc/23/19/61/1016231961.db2.gz ZJEASQDYNDLZKN-UKRRQHHQSA-N 1 3 307.442 0.839 20 0 DCADHO CC(C)(C(=O)NC1CC(C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001505497598 1016274801 /nfs/dbraw/zinc/27/48/01/1016274801.db2.gz KQDPHDNHXHOKGB-UHFFFAOYSA-N 1 3 310.442 0.221 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)on1 ZINC001401133408 1000216841 /nfs/dbraw/zinc/21/68/41/1000216841.db2.gz FSSLXXHTBHJLIY-CHWSQXEVSA-N 1 3 324.425 0.867 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)on1 ZINC001401133408 1000216844 /nfs/dbraw/zinc/21/68/44/1000216844.db2.gz FSSLXXHTBHJLIY-CHWSQXEVSA-N 1 3 324.425 0.867 20 0 DCADHO C[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240150 1000299874 /nfs/dbraw/zinc/29/98/74/1000299874.db2.gz GFKCCSXTDZFEIZ-KOLCDFICSA-N 1 3 322.331 0.702 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1ccnn1C)[NH+](C)C ZINC001401246891 1000305531 /nfs/dbraw/zinc/30/55/31/1000305531.db2.gz MPFYAWOZVXAEER-UKRRQHHQSA-N 1 3 309.458 0.943 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001401256689 1000313916 /nfs/dbraw/zinc/31/39/16/1000313916.db2.gz NSDDKIFEFVHPDA-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N[C@H](C)C1CC1)N(C)C(=O)CN1CCCC1 ZINC001401260757 1000316724 /nfs/dbraw/zinc/31/67/24/1000316724.db2.gz OEIYOAGFJUSKHE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1CNCC(N)=O ZINC001401313491 1000344593 /nfs/dbraw/zinc/34/45/93/1000344593.db2.gz SAVDVUKGFPEDLZ-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418637071 1000410957 /nfs/dbraw/zinc/41/09/57/1000410957.db2.gz WRSRIBJYZMIWHR-RWMBFGLXSA-N 1 3 310.442 0.090 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001417074549 1000460970 /nfs/dbraw/zinc/46/09/70/1000460970.db2.gz FOKCRAIZKIQQPP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@H](C)C1 ZINC001401550835 1000486937 /nfs/dbraw/zinc/48/69/37/1000486937.db2.gz FLWVLGBMZWCIIO-XJKSGUPXSA-N 1 3 320.437 0.299 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401605691 1000542613 /nfs/dbraw/zinc/54/26/13/1000542613.db2.gz TWBGIEHOMGVDTG-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401605691 1000542615 /nfs/dbraw/zinc/54/26/15/1000542615.db2.gz TWBGIEHOMGVDTG-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401618978 1000556257 /nfs/dbraw/zinc/55/62/57/1000556257.db2.gz OPJBBXXRAUZWPY-IUODEOHRSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401671977 1000610670 /nfs/dbraw/zinc/61/06/70/1000610670.db2.gz VBCNSIHRBOMZKL-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401671977 1000610672 /nfs/dbraw/zinc/61/06/72/1000610672.db2.gz VBCNSIHRBOMZKL-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401671982 1000610846 /nfs/dbraw/zinc/61/08/46/1000610846.db2.gz VBCNSIHRBOMZKL-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401671982 1000610848 /nfs/dbraw/zinc/61/08/48/1000610848.db2.gz VBCNSIHRBOMZKL-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401681149 1000620330 /nfs/dbraw/zinc/62/03/30/1000620330.db2.gz ODMHVMSLNWQVKK-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401681149 1000620334 /nfs/dbraw/zinc/62/03/34/1000620334.db2.gz ODMHVMSLNWQVKK-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001401695202 1000634376 /nfs/dbraw/zinc/63/43/76/1000634376.db2.gz RMRNFSKRMOBFJM-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC(CN(C)CC(N)=O)CC2)CC[N@@H+]1C ZINC001418944782 1000636988 /nfs/dbraw/zinc/63/69/88/1000636988.db2.gz AFBWUSBUUXJJHG-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC(CN(C)CC(N)=O)CC2)CC[N@H+]1C ZINC001418944782 1000636989 /nfs/dbraw/zinc/63/69/89/1000636989.db2.gz AFBWUSBUUXJJHG-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001418948356 1000639251 /nfs/dbraw/zinc/63/92/51/1000639251.db2.gz ZLFFTPDDUYHGDF-ZDUSSCGKSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](C[N@H+](C)CCn1cccn1)NC(=O)CN1CC[C@H](C)C1 ZINC001401776906 1000716599 /nfs/dbraw/zinc/71/65/99/1000716599.db2.gz IHFQPAUGFASSQA-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](C[N@@H+](C)CCn1cccn1)NC(=O)CN1CC[C@H](C)C1 ZINC001401776906 1000716601 /nfs/dbraw/zinc/71/66/01/1000716601.db2.gz IHFQPAUGFASSQA-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cnn(C)n1 ZINC001401858583 1000794728 /nfs/dbraw/zinc/79/47/28/1000794728.db2.gz BCIUYGDYBLWDTP-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001419193064 1000868290 /nfs/dbraw/zinc/86/82/90/1000868290.db2.gz DPJDMOUNMWWRCH-UKRRQHHQSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)(C(=O)NCC1([NH2+]CCn2cncn2)CC1)N1CCCC1 ZINC001401967890 1000908846 /nfs/dbraw/zinc/90/88/46/1000908846.db2.gz PUHRKGSJYJIJRC-UHFFFAOYSA-N 1 3 320.441 0.391 20 0 DCADHO CN(C[C@@H](O)CNCc1cncc(F)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507563731 1016453970 /nfs/dbraw/zinc/45/39/70/1016453970.db2.gz UDMGTAOEBGGHHC-HIFRSBDPSA-N 1 3 324.400 0.081 20 0 DCADHO CN(C[C@@H](O)CNCc1cncc(F)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507563731 1016453978 /nfs/dbraw/zinc/45/39/78/1016453978.db2.gz UDMGTAOEBGGHHC-HIFRSBDPSA-N 1 3 324.400 0.081 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)CC1 ZINC001402057150 1000980359 /nfs/dbraw/zinc/98/03/59/1000980359.db2.gz KVJZHWVPJRZMIK-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001402061763 1000985422 /nfs/dbraw/zinc/98/54/22/1000985422.db2.gz NXQAPQLSHQMNPA-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC(C)(C)C)C1 ZINC001402065404 1000986904 /nfs/dbraw/zinc/98/69/04/1000986904.db2.gz COASNRQBUNPOQC-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC(C)(C)C)C1 ZINC001402065404 1000986909 /nfs/dbraw/zinc/98/69/09/1000986909.db2.gz COASNRQBUNPOQC-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001419342323 1000988566 /nfs/dbraw/zinc/98/85/66/1000988566.db2.gz QUZHJASMHIDPNG-BBRMVZONSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001419342323 1000988571 /nfs/dbraw/zinc/98/85/71/1000988571.db2.gz QUZHJASMHIDPNG-BBRMVZONSA-N 1 3 310.442 0.221 20 0 DCADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001402200729 1001103293 /nfs/dbraw/zinc/10/32/93/1001103293.db2.gz SSSYLDKUYPLCHF-INIZCTEOSA-N 1 3 312.458 0.278 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419535404 1001122959 /nfs/dbraw/zinc/12/29/59/1001122959.db2.gz ZOOARDPHMULUPG-ZDUSSCGKSA-N 1 3 317.437 0.723 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCC[C@H]1CNCC(=O)NC1CC1 ZINC001419604474 1001169205 /nfs/dbraw/zinc/16/92/05/1001169205.db2.gz FVKLHLPOISCMAJ-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)nn1C ZINC001402425609 1001294945 /nfs/dbraw/zinc/29/49/45/1001294945.db2.gz WBMWPDLFTSIYOQ-ZFWWWQNUSA-N 1 3 321.469 0.864 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2nncn2C)C1 ZINC001402438304 1001307658 /nfs/dbraw/zinc/30/76/58/1001307658.db2.gz UJPXXQQXIZVUPA-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2nncn2C)C1 ZINC001402438304 1001307666 /nfs/dbraw/zinc/30/76/66/1001307666.db2.gz UJPXXQQXIZVUPA-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001419855011 1001359041 /nfs/dbraw/zinc/35/90/41/1001359041.db2.gz UKQYNIBGRNVCMV-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001419867609 1001368959 /nfs/dbraw/zinc/36/89/59/1001368959.db2.gz MLTIEDOELYPUAL-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@H](O)C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001402782936 1001500359 /nfs/dbraw/zinc/50/03/59/1001500359.db2.gz OWRYECPBMFLCKE-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NCc1cnns1 ZINC001402839538 1001527033 /nfs/dbraw/zinc/52/70/33/1001527033.db2.gz GAVBSTNLFLSSGW-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NCc1cnns1 ZINC001402839538 1001527037 /nfs/dbraw/zinc/52/70/37/1001527037.db2.gz GAVBSTNLFLSSGW-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO Cc1cnc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001402858624 1001539078 /nfs/dbraw/zinc/53/90/78/1001539078.db2.gz QZDOVOMEUJDZBA-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001402858624 1001539082 /nfs/dbraw/zinc/53/90/82/1001539082.db2.gz QZDOVOMEUJDZBA-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001402917240 1001577812 /nfs/dbraw/zinc/57/78/12/1001577812.db2.gz MYOKVYGGIFKZMG-DZGCQCFKSA-N 1 3 309.458 0.934 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001419975437 1001736873 /nfs/dbraw/zinc/73/68/73/1001736873.db2.gz JNORHYQSPFIYBS-LSDHHAIUSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001403228032 1001749434 /nfs/dbraw/zinc/74/94/34/1001749434.db2.gz HOPVJDDCYYNOBY-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001403273694 1001773752 /nfs/dbraw/zinc/77/37/52/1001773752.db2.gz HFDZTWLNVHFYJV-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO Cn1cc(CN[C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001403283572 1001779301 /nfs/dbraw/zinc/77/93/01/1001779301.db2.gz OCRLAABOKLINKE-STQMWFEESA-N 1 3 308.430 0.284 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001403330403 1001824444 /nfs/dbraw/zinc/82/44/44/1001824444.db2.gz WDCOJTOQROBHBO-OAHLLOKOSA-N 1 3 322.457 0.541 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001403330403 1001824453 /nfs/dbraw/zinc/82/44/53/1001824453.db2.gz WDCOJTOQROBHBO-OAHLLOKOSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001403461008 1001989291 /nfs/dbraw/zinc/98/92/91/1001989291.db2.gz QZIDSRCVCAPWTR-YDHLFZDLSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)c1nc(CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)n[nH]1 ZINC001424808224 1002047634 /nfs/dbraw/zinc/04/76/34/1002047634.db2.gz QURRVYALIPWXFR-NEPJUHHUSA-N 1 3 310.446 0.863 20 0 DCADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001420228344 1002079230 /nfs/dbraw/zinc/07/92/30/1002079230.db2.gz NCPBUHXHNNLJCO-QWHCGFSZSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001403578374 1002164949 /nfs/dbraw/zinc/16/49/49/1002164949.db2.gz WUWZLAZJQVJEEA-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccnn1C)N(C)C ZINC001424961751 1002188475 /nfs/dbraw/zinc/18/84/75/1002188475.db2.gz HICVIQNGPZLWGG-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001424961751 1002188479 /nfs/dbraw/zinc/18/84/79/1002188479.db2.gz HICVIQNGPZLWGG-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001425022473 1002259665 /nfs/dbraw/zinc/25/96/65/1002259665.db2.gz GYSXQHQXXYJKQI-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001425022473 1002259672 /nfs/dbraw/zinc/25/96/72/1002259672.db2.gz GYSXQHQXXYJKQI-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO CN(CC(C)(C)C[NH2+]CC(=O)NC1CC1)C(=O)Cc1c[nH]cn1 ZINC001505836979 1016598737 /nfs/dbraw/zinc/59/87/37/1016598737.db2.gz NCICNPJSHPGDRG-UHFFFAOYSA-N 1 3 321.425 0.305 20 0 DCADHO CCCC[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001425176524 1002417939 /nfs/dbraw/zinc/41/79/39/1002417939.db2.gz FYKMJASRSZHJTO-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO COC[C@H](O)CN1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001425252364 1002481017 /nfs/dbraw/zinc/48/10/17/1002481017.db2.gz ITDAQRQEHOSGNV-NWANDNLSSA-N 1 3 315.458 0.016 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001403766712 1002490898 /nfs/dbraw/zinc/49/08/98/1002490898.db2.gz KDXIIIHJNRIDBM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001403766712 1002490901 /nfs/dbraw/zinc/49/09/01/1002490901.db2.gz KDXIIIHJNRIDBM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C[C@H]1C ZINC001403768118 1002494302 /nfs/dbraw/zinc/49/43/02/1002494302.db2.gz HDXGLVORBJWRFH-KGLIPLIRSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001425437569 1002674981 /nfs/dbraw/zinc/67/49/81/1002674981.db2.gz CYCJNBHIYCCTIN-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001508102801 1016654827 /nfs/dbraw/zinc/65/48/27/1016654827.db2.gz KXPGBOSHILQHOD-RUXDESIVSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001420713882 1002839847 /nfs/dbraw/zinc/83/98/47/1002839847.db2.gz GCEIRPOOUKFPKM-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001420739425 1002900982 /nfs/dbraw/zinc/90/09/82/1002900982.db2.gz GBLQGKXTSBQDRO-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405879823 1003169899 /nfs/dbraw/zinc/16/98/99/1003169899.db2.gz ATWHCOLBFBQBCA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405879823 1003169905 /nfs/dbraw/zinc/16/99/05/1003169905.db2.gz ATWHCOLBFBQBCA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)C1=O ZINC001405901235 1003184849 /nfs/dbraw/zinc/18/48/49/1003184849.db2.gz DGSYNDIQAVOVPE-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CC(N)=O ZINC001406020171 1003272455 /nfs/dbraw/zinc/27/24/55/1003272455.db2.gz XBWOBJSHHHVLKW-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)N(C)C)C1 ZINC001421265585 1003489766 /nfs/dbraw/zinc/48/97/66/1003489766.db2.gz AQYSYLHARAPIEZ-MRXNPFEDSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](O)CN1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001421310541 1003527525 /nfs/dbraw/zinc/52/75/25/1003527525.db2.gz FFOVXVMZYRYIJO-UONOGXRCSA-N 1 3 313.442 0.011 20 0 DCADHO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C/C=C/Cl)C1 ZINC001421384233 1003610916 /nfs/dbraw/zinc/61/09/16/1003610916.db2.gz FDNAAFHDNGPACY-KQIUPUNMSA-N 1 3 301.818 0.388 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001426161981 1003628850 /nfs/dbraw/zinc/62/88/50/1003628850.db2.gz GIOIWLIDIMUWHU-UKRRQHHQSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001426161981 1003628854 /nfs/dbraw/zinc/62/88/54/1003628854.db2.gz GIOIWLIDIMUWHU-UKRRQHHQSA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001426223055 1003662684 /nfs/dbraw/zinc/66/26/84/1003662684.db2.gz KEPBSOJDTISBGY-JXQTWKCFSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001426335303 1003719776 /nfs/dbraw/zinc/71/97/76/1003719776.db2.gz VHYNKIWKUQUDPQ-SHARSMKWSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001426335303 1003719785 /nfs/dbraw/zinc/71/97/85/1003719785.db2.gz VHYNKIWKUQUDPQ-SHARSMKWSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001406526966 1003789845 /nfs/dbraw/zinc/78/98/45/1003789845.db2.gz GSEHBPJXZYIMKR-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001406566711 1003853064 /nfs/dbraw/zinc/85/30/64/1003853064.db2.gz ZUSJWYBASRDLAF-NWDGAFQWSA-N 1 3 308.430 0.474 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001406566711 1003853071 /nfs/dbraw/zinc/85/30/71/1003853071.db2.gz ZUSJWYBASRDLAF-NWDGAFQWSA-N 1 3 308.430 0.474 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001406622140 1003936641 /nfs/dbraw/zinc/93/66/41/1003936641.db2.gz XALSUZLHWFZSCO-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001428572972 1004028660 /nfs/dbraw/zinc/02/86/60/1004028660.db2.gz DOJFHUHJAFDTNU-RYUDHWBXSA-N 1 3 323.441 0.612 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406794321 1004102993 /nfs/dbraw/zinc/10/29/93/1004102993.db2.gz YRIDMGYBUXRQTC-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406794321 1004103002 /nfs/dbraw/zinc/10/30/02/1004103002.db2.gz YRIDMGYBUXRQTC-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(=O)NC)CC1 ZINC001406923406 1004225472 /nfs/dbraw/zinc/22/54/72/1004225472.db2.gz GQBVRXXBDYZEFZ-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(=O)NC)CC1 ZINC001406923406 1004225477 /nfs/dbraw/zinc/22/54/77/1004225477.db2.gz GQBVRXXBDYZEFZ-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CN(CC(=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001428883265 1004239453 /nfs/dbraw/zinc/23/94/53/1004239453.db2.gz UTSCFTODQGIKEK-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001407183679 1004453000 /nfs/dbraw/zinc/45/30/00/1004453000.db2.gz PDEXPNOSEYMLBJ-KGLIPLIRSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001407239033 1004491471 /nfs/dbraw/zinc/49/14/71/1004491471.db2.gz RNHXRCQBYYXJPA-MLGOLLRUSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)CCC[NH+](C)C)C1 ZINC001429458564 1004610388 /nfs/dbraw/zinc/61/03/88/1004610388.db2.gz WCXBRURZAZRVMK-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001407538594 1004719680 /nfs/dbraw/zinc/71/96/80/1004719680.db2.gz PPEVIGDKKGJZJY-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001407543695 1004721518 /nfs/dbraw/zinc/72/15/18/1004721518.db2.gz XMOXRWXOBYNRGT-GJZGRUSLSA-N 1 3 321.469 0.944 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001407567660 1004734388 /nfs/dbraw/zinc/73/43/88/1004734388.db2.gz YBRGKCGVTQQBNE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001407787936 1004863434 /nfs/dbraw/zinc/86/34/34/1004863434.db2.gz WUXGJDOSZBNBLE-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001407787936 1004863437 /nfs/dbraw/zinc/86/34/37/1004863437.db2.gz WUXGJDOSZBNBLE-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001407993858 1004976105 /nfs/dbraw/zinc/97/61/05/1004976105.db2.gz BIMJANWWHKUGLL-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)c1nc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)n[nH]1 ZINC001408091793 1005034256 /nfs/dbraw/zinc/03/42/56/1005034256.db2.gz KSLOKEIBORBKPB-QWHCGFSZSA-N 1 3 322.457 0.816 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1ccnn1C ZINC001408104409 1005044092 /nfs/dbraw/zinc/04/40/92/1005044092.db2.gz XTQHOTXERDEAAW-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001415221082 1005484192 /nfs/dbraw/zinc/48/41/92/1005484192.db2.gz UGMMFMDNXNHDDW-OCCSQVGLSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001415324022 1005502592 /nfs/dbraw/zinc/50/25/92/1005502592.db2.gz IEAIQTCUNGSMCB-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001415324022 1005502594 /nfs/dbraw/zinc/50/25/94/1005502594.db2.gz IEAIQTCUNGSMCB-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001506070116 1016976595 /nfs/dbraw/zinc/97/65/95/1016976595.db2.gz FHLZBXXBYXUBSC-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001506070116 1016976610 /nfs/dbraw/zinc/97/66/10/1016976610.db2.gz FHLZBXXBYXUBSC-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CCC[NH+]2CCCC2)C1)N(C)C ZINC001416029738 1005652416 /nfs/dbraw/zinc/65/24/16/1005652416.db2.gz OUWLVNKUGNKQBX-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](O)C3CCC3)CC2)CC1 ZINC001417625737 1005854153 /nfs/dbraw/zinc/85/41/53/1005854153.db2.gz LWBVMKLSRCMWIA-INIZCTEOSA-N 1 3 309.454 0.822 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001417729506 1005877693 /nfs/dbraw/zinc/87/76/93/1005877693.db2.gz WWKRLNCTQKBNGD-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001417770319 1005887431 /nfs/dbraw/zinc/88/74/31/1005887431.db2.gz SIYPQFVVDYJNEM-HRCADAONSA-N 1 3 319.453 0.709 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001417777662 1005888243 /nfs/dbraw/zinc/88/82/43/1005888243.db2.gz SENUZGOTAVIDES-ZNMIVQPWSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cncn3C)C2)CCC1 ZINC001417787345 1005890961 /nfs/dbraw/zinc/89/09/61/1005890961.db2.gz URCXTRACTOFQHY-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO C[N@H+](CCC(=O)N1CC[C@H](NCC(N)=O)C1)C1CCCCC1 ZINC001418044188 1005972107 /nfs/dbraw/zinc/97/21/07/1005972107.db2.gz MEXNARCFFDPYDS-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@@H+](CCC(=O)N1CC[C@H](NCC(N)=O)C1)C1CCCCC1 ZINC001418044188 1005972119 /nfs/dbraw/zinc/97/21/19/1005972119.db2.gz MEXNARCFFDPYDS-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001418050834 1005981664 /nfs/dbraw/zinc/98/16/64/1005981664.db2.gz KUCBLUKZWLYWOB-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438673625 1006015245 /nfs/dbraw/zinc/01/52/45/1006015245.db2.gz HTOCKCMWLYPKFC-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001438681667 1006024678 /nfs/dbraw/zinc/02/46/78/1006024678.db2.gz WRIYCKAGSVEGNB-IUODEOHRSA-N 1 3 307.442 0.759 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)CC(C)(C)C ZINC001418103533 1006043003 /nfs/dbraw/zinc/04/30/03/1006043003.db2.gz KZTOCFYFKVBBIT-BETUJISGSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001418109956 1006050609 /nfs/dbraw/zinc/05/06/09/1006050609.db2.gz XERFSYQXQVKAHG-RZFFKMDDSA-N 1 3 324.469 0.477 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1cnnn1C)[NH+](C)C ZINC001438706210 1006053015 /nfs/dbraw/zinc/05/30/15/1006053015.db2.gz NUDZQZYAVSRMCK-TZMCWYRMSA-N 1 3 310.446 0.338 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]21 ZINC001418182431 1006139004 /nfs/dbraw/zinc/13/90/04/1006139004.db2.gz UCTOZBRXANOXMO-DTJSUFBGSA-N 1 3 321.465 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]21 ZINC001418182431 1006139016 /nfs/dbraw/zinc/13/90/16/1006139016.db2.gz UCTOZBRXANOXMO-DTJSUFBGSA-N 1 3 321.465 0.801 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001418233341 1006217537 /nfs/dbraw/zinc/21/75/37/1006217537.db2.gz XWLKDFDGKLIKQW-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001418233341 1006217546 /nfs/dbraw/zinc/21/75/46/1006217546.db2.gz XWLKDFDGKLIKQW-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001418237611 1006221630 /nfs/dbraw/zinc/22/16/30/1006221630.db2.gz SYEFIFWDZGPPLD-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001418237611 1006221638 /nfs/dbraw/zinc/22/16/38/1006221638.db2.gz SYEFIFWDZGPPLD-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001418237099 1006222534 /nfs/dbraw/zinc/22/25/34/1006222534.db2.gz RWPHUNQZKNUKNG-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)N(C)C)C1 ZINC001438942735 1006255632 /nfs/dbraw/zinc/25/56/32/1006255632.db2.gz AHLJQKCDINHNJI-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)N(C)C)C1 ZINC001438942735 1006255641 /nfs/dbraw/zinc/25/56/41/1006255641.db2.gz AHLJQKCDINHNJI-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001438991778 1006330735 /nfs/dbraw/zinc/33/07/35/1006330735.db2.gz LKGPCMMMLHGURT-JKSUJKDBSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001438991778 1006330750 /nfs/dbraw/zinc/33/07/50/1006330750.db2.gz LKGPCMMMLHGURT-JKSUJKDBSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001438991775 1006330897 /nfs/dbraw/zinc/33/08/97/1006330897.db2.gz LKGPCMMMLHGURT-HZPDHXFCSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001438991775 1006330910 /nfs/dbraw/zinc/33/09/10/1006330910.db2.gz LKGPCMMMLHGURT-HZPDHXFCSA-N 1 3 320.437 0.523 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001436866400 1006425769 /nfs/dbraw/zinc/42/57/69/1006425769.db2.gz AOIUNLVEXBRRAE-MELADBBJSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1 ZINC001436894467 1006440468 /nfs/dbraw/zinc/44/04/68/1006440468.db2.gz HZCRBOYUGKGAOE-MGPQQGTHSA-N 1 3 322.453 0.328 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439083486 1006452521 /nfs/dbraw/zinc/45/25/21/1006452521.db2.gz LXJRABBGCNNMCS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439083486 1006452526 /nfs/dbraw/zinc/45/25/26/1006452526.db2.gz LXJRABBGCNNMCS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001437029062 1006539175 /nfs/dbraw/zinc/53/91/75/1006539175.db2.gz GSYJJOPCZDJYAC-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001437030660 1006542990 /nfs/dbraw/zinc/54/29/90/1006542990.db2.gz JEDMMPDPYCIZRP-AWEZNQCLSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001439253122 1006627348 /nfs/dbraw/zinc/62/73/48/1006627348.db2.gz BHIOTUWAAXEBNW-LBPRGKRZSA-N 1 3 322.457 0.864 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001439256675 1006630108 /nfs/dbraw/zinc/63/01/08/1006630108.db2.gz HZLYPNYZUDARMS-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCCN(C)C1=O ZINC001437260418 1006779074 /nfs/dbraw/zinc/77/90/74/1006779074.db2.gz IXKOYYPJRWTDIC-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@H](C)CN1CCOCC1 ZINC001437265194 1006784699 /nfs/dbraw/zinc/78/46/99/1006784699.db2.gz YRCKWNHBRDHAJR-OLZOCXBDSA-N 1 3 324.425 0.546 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001439491062 1006919981 /nfs/dbraw/zinc/91/99/81/1006919981.db2.gz SEVUCBVQZGXBTO-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nncn1C ZINC001439519086 1006948781 /nfs/dbraw/zinc/94/87/81/1006948781.db2.gz VNZOPBOOUBEUNX-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)C[C@@H]1CCc2ncnn21 ZINC001437501965 1007060585 /nfs/dbraw/zinc/06/05/85/1007060585.db2.gz BUMOXQPWPCQQAP-ZDUSSCGKSA-N 1 3 320.441 0.155 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCc1cnn(C)c1 ZINC001437568565 1007138108 /nfs/dbraw/zinc/13/81/08/1007138108.db2.gz BOGYGQVXQLPSJU-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCc1cnn(C)c1 ZINC001437568565 1007138120 /nfs/dbraw/zinc/13/81/20/1007138120.db2.gz BOGYGQVXQLPSJU-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440112749 1007498296 /nfs/dbraw/zinc/49/82/96/1007498296.db2.gz KGUADJLEGASPHJ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NCc1cnns1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440124202 1007504509 /nfs/dbraw/zinc/50/45/09/1007504509.db2.gz ROURCUJWLKWMTJ-NEPJUHHUSA-N 1 3 311.455 0.816 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001440137888 1007513760 /nfs/dbraw/zinc/51/37/60/1007513760.db2.gz RFHNHUWRRHQCJZ-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CCC[NH+]1CCN(CCN(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001437955175 1007534239 /nfs/dbraw/zinc/53/42/39/1007534239.db2.gz BBCFQIRRFDPBRR-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO C[N@H+](CCn1cncn1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437991854 1007571930 /nfs/dbraw/zinc/57/19/30/1007571930.db2.gz PPWQFQWXAYGGBV-HNNXBMFYSA-N 1 3 320.441 0.154 20 0 DCADHO C[N@@H+](CCn1cncn1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437991854 1007571938 /nfs/dbraw/zinc/57/19/38/1007571938.db2.gz PPWQFQWXAYGGBV-HNNXBMFYSA-N 1 3 320.441 0.154 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440304189 1007654600 /nfs/dbraw/zinc/65/46/00/1007654600.db2.gz INPZUXOTHAOYLB-BETUJISGSA-N 1 3 308.430 0.234 20 0 DCADHO Cn1cc(CNC2(CNC(=O)C3CC[NH+](C)CC3)CCC2)cn1 ZINC001440332514 1007676746 /nfs/dbraw/zinc/67/67/46/1007676746.db2.gz LMVNHSCKRNVIBS-UHFFFAOYSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001440407931 1007736910 /nfs/dbraw/zinc/73/69/10/1007736910.db2.gz QZJKKKNRJYZSEQ-RRFJBIMHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]([NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1)C(N)=O ZINC001438389024 1007877443 /nfs/dbraw/zinc/87/74/43/1007877443.db2.gz ZCWJDCFUGKVRRV-GFCCVEGCSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(=O)N(C)C ZINC001440580475 1007900417 /nfs/dbraw/zinc/90/04/17/1007900417.db2.gz DTAMFUCPUYJQNS-BFHYXJOUSA-N 1 3 310.442 0.138 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001440586743 1007903821 /nfs/dbraw/zinc/90/38/21/1007903821.db2.gz FWGYJSJPJYDCFQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCC[C@@]1(CNCC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001438431913 1007903945 /nfs/dbraw/zinc/90/39/45/1007903945.db2.gz MFLYOEPQJUDXRQ-GUYCJALGSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC001438440113 1007910148 /nfs/dbraw/zinc/91/01/48/1007910148.db2.gz IEXXJRKHNCRTKJ-YDHLFZDLSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001438461203 1007921775 /nfs/dbraw/zinc/92/17/75/1007921775.db2.gz OOCROCLPSLCGOB-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N(C)C)CC[N@H+]1C ZINC001438461203 1007921780 /nfs/dbraw/zinc/92/17/80/1007921780.db2.gz OOCROCLPSLCGOB-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1 ZINC001438596416 1008019652 /nfs/dbraw/zinc/01/96/52/1008019652.db2.gz VQKAUXUATCYTCD-KGLIPLIRSA-N 1 3 324.469 0.753 20 0 DCADHO NC(=O)CNC1(CNC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001438611770 1008023307 /nfs/dbraw/zinc/02/33/07/1008023307.db2.gz NEJBPIDCGGRTHI-UHFFFAOYSA-N 1 3 310.442 0.366 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001441001936 1008168585 /nfs/dbraw/zinc/16/85/85/1008168585.db2.gz YCNDLJSYDAHMQC-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001441001940 1008169226 /nfs/dbraw/zinc/16/92/26/1008169226.db2.gz YCNDLJSYDAHMQC-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001441276062 1008301769 /nfs/dbraw/zinc/30/17/69/1008301769.db2.gz QPKUNGYHJOYETJ-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001441276062 1008301771 /nfs/dbraw/zinc/30/17/71/1008301771.db2.gz QPKUNGYHJOYETJ-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)(C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001441348993 1008328914 /nfs/dbraw/zinc/32/89/14/1008328914.db2.gz WEMMSKIJKNGBAG-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)CC(C)(C)C ZINC001441507327 1008381125 /nfs/dbraw/zinc/38/11/25/1008381125.db2.gz HYEKFOHQKVCMPH-MJBXVCDLSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001453500508 1008539065 /nfs/dbraw/zinc/53/90/65/1008539065.db2.gz BVKSXUMOJHGTKY-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001453500508 1008539076 /nfs/dbraw/zinc/53/90/76/1008539076.db2.gz BVKSXUMOJHGTKY-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001441835081 1008543110 /nfs/dbraw/zinc/54/31/10/1008543110.db2.gz AUHKSIGRAVPWDI-KBPBESRZSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001421421321 1008559218 /nfs/dbraw/zinc/55/92/18/1008559218.db2.gz KDFMAFZHWPMWPB-QWHCGFSZSA-N 1 3 324.469 0.622 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001453703302 1008673232 /nfs/dbraw/zinc/67/32/32/1008673232.db2.gz OKVDFIDITAVVQU-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001441934099 1008674422 /nfs/dbraw/zinc/67/44/22/1008674422.db2.gz WOWYEHUCVYKSQF-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441953185 1008698740 /nfs/dbraw/zinc/69/87/40/1008698740.db2.gz WNHNUFBDGDQWMZ-IHRRRGAJSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441953185 1008698750 /nfs/dbraw/zinc/69/87/50/1008698750.db2.gz WNHNUFBDGDQWMZ-IHRRRGAJSA-N 1 3 312.458 0.336 20 0 DCADHO CCCN(C)CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001453756456 1008704180 /nfs/dbraw/zinc/70/41/80/1008704180.db2.gz IDBDCZLKFLBDCM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001453756456 1008704185 /nfs/dbraw/zinc/70/41/85/1008704185.db2.gz IDBDCZLKFLBDCM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442009841 1008801130 /nfs/dbraw/zinc/80/11/30/1008801130.db2.gz NJKNOVPKSRQIMI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001442009841 1008801144 /nfs/dbraw/zinc/80/11/44/1008801144.db2.gz NJKNOVPKSRQIMI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](CCCO)CC1 ZINC001421642437 1008856875 /nfs/dbraw/zinc/85/68/75/1008856875.db2.gz UYGRMHNEMQPGOK-UHFFFAOYSA-N 1 3 308.426 0.861 20 0 DCADHO CN1CCN(C)[C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC001433694641 1009083163 /nfs/dbraw/zinc/08/31/63/1009083163.db2.gz NNOLBWXQUPVVNG-AWEZNQCLSA-N 1 3 320.437 0.851 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+][C@H](C)C(=O)NC)CCCC1)N(C)C ZINC001421842863 1009156950 /nfs/dbraw/zinc/15/69/50/1009156950.db2.gz SPIHSKGXWAYOBE-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001421943282 1009295401 /nfs/dbraw/zinc/29/54/01/1009295401.db2.gz ZJTUADQBEMAFNX-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001421986864 1009368347 /nfs/dbraw/zinc/36/83/47/1009368347.db2.gz QSVTWXJZOPWIDX-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001422072015 1009455849 /nfs/dbraw/zinc/45/58/49/1009455849.db2.gz ZLZRKKNVPMHWPK-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001442748001 1009694123 /nfs/dbraw/zinc/69/41/23/1009694123.db2.gz KMGVOLHHJYNGCO-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001442748001 1009694131 /nfs/dbraw/zinc/69/41/31/1009694131.db2.gz KMGVOLHHJYNGCO-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001422243033 1009698853 /nfs/dbraw/zinc/69/88/53/1009698853.db2.gz IOEUDQRCZYSVDJ-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001422243033 1009698860 /nfs/dbraw/zinc/69/88/60/1009698860.db2.gz IOEUDQRCZYSVDJ-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001422316974 1009859173 /nfs/dbraw/zinc/85/91/73/1009859173.db2.gz DUVPUDOQNBOQGN-CHWSQXEVSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC1CC1 ZINC001443073382 1010112936 /nfs/dbraw/zinc/11/29/36/1010112936.db2.gz DGUBFIOCURIUBV-SWLSCSKDSA-N 1 3 322.453 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN1CCN(CC)CC1 ZINC001443281473 1010292797 /nfs/dbraw/zinc/29/27/97/1010292797.db2.gz MMQPGYMGUKTXIT-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN1CCN(CC)CC1 ZINC001443281473 1010292806 /nfs/dbraw/zinc/29/28/06/1010292806.db2.gz MMQPGYMGUKTXIT-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO COC[C@H](O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001422793285 1010615782 /nfs/dbraw/zinc/61/57/82/1010615782.db2.gz ZAZLPWROGGRPCY-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H](C[N@H+](C)CCO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422881977 1010697851 /nfs/dbraw/zinc/69/78/51/1010697851.db2.gz XRZMZZUDSRDUCF-IUODEOHRSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422881977 1010697856 /nfs/dbraw/zinc/69/78/56/1010697856.db2.gz XRZMZZUDSRDUCF-IUODEOHRSA-N 1 3 303.422 0.628 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC001422934307 1010753928 /nfs/dbraw/zinc/75/39/28/1010753928.db2.gz RNNRAVTXRFDIDQ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC001422934307 1010753936 /nfs/dbraw/zinc/75/39/36/1010753936.db2.gz RNNRAVTXRFDIDQ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H](CNCC(N)=O)C1CC1 ZINC001422989402 1010790062 /nfs/dbraw/zinc/79/00/62/1010790062.db2.gz OYMLASJVUYGVBY-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H](CNCC(N)=O)C1CC1 ZINC001422989402 1010790064 /nfs/dbraw/zinc/79/00/64/1010790064.db2.gz OYMLASJVUYGVBY-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccnn1C ZINC001443989686 1010793037 /nfs/dbraw/zinc/79/30/37/1010793037.db2.gz UQEDNOQUEYIILU-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001444001283 1010796886 /nfs/dbraw/zinc/79/68/86/1010796886.db2.gz IHPHPOUGTBBBSM-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)NCC ZINC001423064765 1010857924 /nfs/dbraw/zinc/85/79/24/1010857924.db2.gz WOAIDUXFEPMFID-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)NCC ZINC001423064765 1010857929 /nfs/dbraw/zinc/85/79/29/1010857929.db2.gz WOAIDUXFEPMFID-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1)C(N)=O ZINC001423240129 1011009666 /nfs/dbraw/zinc/00/96/66/1011009666.db2.gz QSPBQVCJDJFYGM-KGLIPLIRSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1)C(N)=O ZINC001423240129 1011009670 /nfs/dbraw/zinc/00/96/70/1011009670.db2.gz QSPBQVCJDJFYGM-KGLIPLIRSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1)C(N)=O ZINC001423240126 1011009811 /nfs/dbraw/zinc/00/98/11/1011009811.db2.gz QSPBQVCJDJFYGM-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1)C(N)=O ZINC001423240126 1011009813 /nfs/dbraw/zinc/00/98/13/1011009813.db2.gz QSPBQVCJDJFYGM-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO O=C(NC[C@@H](CO)NCc1ccc(F)cc1)C12CC[NH+](CC1)C2 ZINC001423297292 1011057059 /nfs/dbraw/zinc/05/70/59/1011057059.db2.gz ODXJMVSVVVYTNA-HNNXBMFYSA-N 1 3 321.396 0.488 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001423321236 1011074414 /nfs/dbraw/zinc/07/44/14/1011074414.db2.gz LPNMTYCSYSQNFJ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444626173 1011102178 /nfs/dbraw/zinc/10/21/78/1011102178.db2.gz IOMMFZCKTZUWBU-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCc1cnn(C)c1 ZINC001423373627 1011108019 /nfs/dbraw/zinc/10/80/19/1011108019.db2.gz PEGKESHDGTZRPV-GOEBONIOSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)N(C)C(=O)CC[NH+](C)C ZINC001444666193 1011122210 /nfs/dbraw/zinc/12/22/10/1011122210.db2.gz MSVLSGASPSLQQO-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001444701803 1011137918 /nfs/dbraw/zinc/13/79/18/1011137918.db2.gz SXDMCRMUKLVJDY-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001423485205 1011180230 /nfs/dbraw/zinc/18/02/30/1011180230.db2.gz XVSIIAMWOQSICE-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001456357277 1011217033 /nfs/dbraw/zinc/21/70/33/1011217033.db2.gz ODJJQCAGOKDAQM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001456357277 1011217041 /nfs/dbraw/zinc/21/70/41/1011217041.db2.gz ODJJQCAGOKDAQM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001445434038 1011767384 /nfs/dbraw/zinc/76/73/84/1011767384.db2.gz DGAIDSRCHYRVKQ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001445555935 1011923775 /nfs/dbraw/zinc/92/37/75/1011923775.db2.gz AIVHUYIKGCBUFA-NWDGAFQWSA-N 1 3 310.442 0.232 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001445558913 1011928817 /nfs/dbraw/zinc/92/88/17/1011928817.db2.gz LEJDJKXIKIYKOH-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001445558913 1011928829 /nfs/dbraw/zinc/92/88/29/1011928829.db2.gz LEJDJKXIKIYKOH-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)N[C@H]3CCN(C4CC4)C3)C[C@@H]2[NH3+])c1 ZINC001553444733 1011980813 /nfs/dbraw/zinc/98/08/13/1011980813.db2.gz AGRWQUPBYTZZHT-YUTCNCBUSA-N 1 3 318.425 0.093 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553448544 1011984816 /nfs/dbraw/zinc/98/48/16/1011984816.db2.gz XVQSHXPXCDHATL-GJZGRUSLSA-N 1 3 322.453 0.681 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001445603258 1011987825 /nfs/dbraw/zinc/98/78/25/1011987825.db2.gz CQQGDWLIPQPPIU-OLZOCXBDSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001445605203 1011988850 /nfs/dbraw/zinc/98/88/50/1011988850.db2.gz MJRXXKWAKOTMTJ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001535900040 1011999134 /nfs/dbraw/zinc/99/91/34/1011999134.db2.gz OFLDXQOVFUJSOO-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553493896 1012026931 /nfs/dbraw/zinc/02/69/31/1012026931.db2.gz ATGLNCGBSKUHBQ-BLNMRFBMSA-N 1 3 322.453 0.510 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553507685 1012047907 /nfs/dbraw/zinc/04/79/07/1012047907.db2.gz QZLMFLKZGNWQJQ-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553507892 1012048077 /nfs/dbraw/zinc/04/80/77/1012048077.db2.gz PWBCOSLSUNJLHS-KFWWJZLASA-N 1 3 310.442 0.369 20 0 DCADHO [NH3+]CCC1CC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553543539 1012094483 /nfs/dbraw/zinc/09/44/83/1012094483.db2.gz AKBVGSSDKILNRZ-PFSRBDOWSA-N 1 3 310.442 0.354 20 0 DCADHO [NH3+]C1CC(CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553546416 1012096721 /nfs/dbraw/zinc/09/67/21/1012096721.db2.gz ATCPDCFUICRYCJ-WUCCLRPBSA-N 1 3 310.442 0.354 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001536380728 1012110250 /nfs/dbraw/zinc/11/02/50/1012110250.db2.gz LJWAACYPMFURGS-UKRRQHHQSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001536380728 1012110260 /nfs/dbraw/zinc/11/02/60/1012110260.db2.gz LJWAACYPMFURGS-UKRRQHHQSA-N 1 3 324.469 0.336 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001424169664 1012121779 /nfs/dbraw/zinc/12/17/79/1012121779.db2.gz LVXBKWKVNAOCCH-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001424169664 1012121789 /nfs/dbraw/zinc/12/17/89/1012121789.db2.gz LVXBKWKVNAOCCH-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001424179623 1012132051 /nfs/dbraw/zinc/13/20/51/1012132051.db2.gz AOGAXIVHOAXZKP-CQSZACIVSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001424179623 1012132059 /nfs/dbraw/zinc/13/20/59/1012132059.db2.gz AOGAXIVHOAXZKP-CQSZACIVSA-N 1 3 322.453 0.507 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC001432274252 1012245124 /nfs/dbraw/zinc/24/51/24/1012245124.db2.gz OMSHAANCQBFTHF-HUUCEWRRSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC001432274252 1012245134 /nfs/dbraw/zinc/24/51/34/1012245134.db2.gz OMSHAANCQBFTHF-HUUCEWRRSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C1CC[NH+](C)CC1 ZINC001445798765 1012274110 /nfs/dbraw/zinc/27/41/10/1012274110.db2.gz OJZGVFGLFWXEAT-ZDUSSCGKSA-N 1 3 308.430 0.056 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001458744709 1012337588 /nfs/dbraw/zinc/33/75/88/1012337588.db2.gz IVAKGHYVQFVTDL-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001458744709 1012337600 /nfs/dbraw/zinc/33/76/00/1012337600.db2.gz IVAKGHYVQFVTDL-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](F)CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001424420120 1012488575 /nfs/dbraw/zinc/48/85/75/1012488575.db2.gz ZJSXQDZDQRSGHS-WFASDCNBSA-N 1 3 312.389 0.643 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1)C(N)=O ZINC001446014593 1012525064 /nfs/dbraw/zinc/52/50/64/1012525064.db2.gz MQURZIUXZFDQKQ-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001424479791 1012556747 /nfs/dbraw/zinc/55/67/47/1012556747.db2.gz ZTCZANBZBHPODI-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001424479791 1012556764 /nfs/dbraw/zinc/55/67/64/1012556764.db2.gz ZTCZANBZBHPODI-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001548431557 1012625862 /nfs/dbraw/zinc/62/58/62/1012625862.db2.gz HNOJBRDZRPPMFW-HRCADAONSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001548431557 1012625873 /nfs/dbraw/zinc/62/58/73/1012625873.db2.gz HNOJBRDZRPPMFW-HRCADAONSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)C[C@H]1c1cnn(C)c1 ZINC001548431557 1012625890 /nfs/dbraw/zinc/62/58/90/1012625890.db2.gz HNOJBRDZRPPMFW-HRCADAONSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)C[C@H]1c1cnn(C)c1 ZINC001548431557 1012625895 /nfs/dbraw/zinc/62/58/95/1012625895.db2.gz HNOJBRDZRPPMFW-HRCADAONSA-N 1 3 319.453 0.666 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001429743999 1012731845 /nfs/dbraw/zinc/73/18/45/1012731845.db2.gz WGIAKFDHEFRRMA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429743999 1012731862 /nfs/dbraw/zinc/73/18/62/1012731862.db2.gz WGIAKFDHEFRRMA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@@]1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CCCCN1 ZINC001548586771 1012765222 /nfs/dbraw/zinc/76/52/22/1012765222.db2.gz UGAHHHWCJBRMMB-MRXNPFEDSA-N 1 3 311.426 0.126 20 0 DCADHO COC[C@@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CCCCN1 ZINC001548588403 1012766867 /nfs/dbraw/zinc/76/68/67/1012766867.db2.gz VRMSPYNRIVQQDF-MRXNPFEDSA-N 1 3 311.426 0.125 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001432694622 1012778186 /nfs/dbraw/zinc/77/81/86/1012778186.db2.gz IUGUAFHOZUEOGL-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001432694622 1012778193 /nfs/dbraw/zinc/77/81/93/1012778193.db2.gz IUGUAFHOZUEOGL-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO OC[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)COC[C@@H]2CCCN21 ZINC001461834316 1013036437 /nfs/dbraw/zinc/03/64/37/1013036437.db2.gz YRFFWIPPOHMYDW-VVLHAWIVSA-N 1 3 309.454 0.429 20 0 DCADHO OC[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)COC[C@@H]2CCCN21 ZINC001461834316 1013036445 /nfs/dbraw/zinc/03/64/45/1013036445.db2.gz YRFFWIPPOHMYDW-VVLHAWIVSA-N 1 3 309.454 0.429 20 0 DCADHO Cn1nncc1CNCC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001506515732 1017334100 /nfs/dbraw/zinc/33/41/00/1017334100.db2.gz FJXMOPIAXXYNFE-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO CCCC[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001506539353 1017348388 /nfs/dbraw/zinc/34/83/88/1017348388.db2.gz SSUILPOGRQAOAG-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001479319811 1017494312 /nfs/dbraw/zinc/49/43/12/1017494312.db2.gz UTOLFYCRKQHCAH-BJHJDKERSA-N 1 3 320.441 0.618 20 0 DCADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCF ZINC001479536516 1017579637 /nfs/dbraw/zinc/57/96/37/1017579637.db2.gz GRRPYBYTBIGUQQ-ZIAGYGMSSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001506841340 1017603173 /nfs/dbraw/zinc/60/31/73/1017603173.db2.gz AZNPVTZIAANQQR-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)Nc1ccon1)NC(=O)[C@H]1CCCN1C ZINC001497242564 1017991952 /nfs/dbraw/zinc/99/19/52/1017991952.db2.gz YNBATOVUFLDYIE-VXGBXAGGSA-N 1 3 323.397 0.192 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCC1 ZINC001499857058 1018106378 /nfs/dbraw/zinc/10/63/78/1018106378.db2.gz HSWYQNNIKRZZOP-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001497441963 1018139614 /nfs/dbraw/zinc/13/96/14/1018139614.db2.gz BBYOFQGWYLNVPQ-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001497441963 1018139617 /nfs/dbraw/zinc/13/96/17/1018139617.db2.gz BBYOFQGWYLNVPQ-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001499955831 1018152839 /nfs/dbraw/zinc/15/28/39/1018152839.db2.gz XVYVFUNCPNIMEF-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001480087342 1018192387 /nfs/dbraw/zinc/19/23/87/1018192387.db2.gz JOQQGFYWGGYYAO-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001480087342 1018192394 /nfs/dbraw/zinc/19/23/94/1018192394.db2.gz JOQQGFYWGGYYAO-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1)C(N)=O ZINC001500106402 1018224822 /nfs/dbraw/zinc/22/48/22/1018224822.db2.gz DSEIKBZXWJYGBP-SWLSCSKDSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001495110471 1018320380 /nfs/dbraw/zinc/32/03/80/1018320380.db2.gz YCWIEYOFPWVFSJ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001495110471 1018320389 /nfs/dbraw/zinc/32/03/89/1018320389.db2.gz YCWIEYOFPWVFSJ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001497732324 1018374048 /nfs/dbraw/zinc/37/40/48/1018374048.db2.gz QTGJNOHQGSMEGV-YJQVQVLHSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001497732324 1018374062 /nfs/dbraw/zinc/37/40/62/1018374062.db2.gz QTGJNOHQGSMEGV-YJQVQVLHSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480301713 1018413466 /nfs/dbraw/zinc/41/34/66/1018413466.db2.gz ZVUITVCOQVULMZ-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@](C)(CNCc2cnns2)C1 ZINC001500374719 1018433050 /nfs/dbraw/zinc/43/30/50/1018433050.db2.gz RQUYCHWDCBEFRK-CQSZACIVSA-N 1 3 311.455 0.818 20 0 DCADHO COC[C@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001495386577 1018485772 /nfs/dbraw/zinc/48/57/72/1018485772.db2.gz KAKARZRUZBMIEE-DZGCQCFKSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001495534818 1018563896 /nfs/dbraw/zinc/56/38/96/1018563896.db2.gz GALDWWFMCUHDLE-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001495534818 1018563902 /nfs/dbraw/zinc/56/39/02/1018563902.db2.gz GALDWWFMCUHDLE-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001480476820 1018575217 /nfs/dbraw/zinc/57/52/17/1018575217.db2.gz KFCCEUFYGJMLPY-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cnn(C)c1 ZINC001480481012 1018576975 /nfs/dbraw/zinc/57/69/75/1018576975.db2.gz VBSOVOXGDWIHLT-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cnn(C)c1 ZINC001480481012 1018576986 /nfs/dbraw/zinc/57/69/86/1018576986.db2.gz VBSOVOXGDWIHLT-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498043873 1018609603 /nfs/dbraw/zinc/60/96/03/1018609603.db2.gz OAYDBMPOXODUIY-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498043873 1018609608 /nfs/dbraw/zinc/60/96/08/1018609608.db2.gz OAYDBMPOXODUIY-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCN(C)C1=O ZINC001495681924 1018645644 /nfs/dbraw/zinc/64/56/44/1018645644.db2.gz BZDPTBPYGRVQKG-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190320 1018738018 /nfs/dbraw/zinc/73/80/18/1018738018.db2.gz NMAIFQGGMBQLKM-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498190320 1018738033 /nfs/dbraw/zinc/73/80/33/1018738033.db2.gz NMAIFQGGMBQLKM-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001480682919 1018776125 /nfs/dbraw/zinc/77/61/25/1018776125.db2.gz ITBNGFSANOTXEH-CQSZACIVSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CN(C)CCOCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001498426345 1019106370 /nfs/dbraw/zinc/10/63/70/1019106370.db2.gz CRCBCGPVVXGUNS-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CCn1cc(CC[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)cn1 ZINC001496230544 1019181029 /nfs/dbraw/zinc/18/10/29/1019181029.db2.gz YCBAWODUNZEYMC-HNNXBMFYSA-N 1 3 321.469 0.978 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)CC1 ZINC001501631805 1019342276 /nfs/dbraw/zinc/34/22/76/1019342276.db2.gz FTCGGMBZQARYAP-CQSZACIVSA-N 1 3 310.442 0.032 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+]CCCO)C2)CC1 ZINC001501631584 1019342498 /nfs/dbraw/zinc/34/24/98/1019342498.db2.gz ACKJTGDDMTVQIG-INIZCTEOSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001496474568 1019343287 /nfs/dbraw/zinc/34/32/87/1019343287.db2.gz FWSXDGNULQEYJF-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO Cn1ccnc1CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501647108 1019355286 /nfs/dbraw/zinc/35/52/86/1019355286.db2.gz BWMZFJVPSCWVCF-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501647108 1019355303 /nfs/dbraw/zinc/35/53/03/1019355303.db2.gz BWMZFJVPSCWVCF-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO CN(C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1)C1CC1 ZINC001498863628 1019483911 /nfs/dbraw/zinc/48/39/11/1019483911.db2.gz MGGUKNBVZUWPDG-UKRRQHHQSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1)C1CC1 ZINC001498863628 1019483921 /nfs/dbraw/zinc/48/39/21/1019483921.db2.gz MGGUKNBVZUWPDG-UKRRQHHQSA-N 1 3 322.453 0.043 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001493592066 1019548663 /nfs/dbraw/zinc/54/86/63/1019548663.db2.gz RPZLMQHIAZAEJA-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCO[C@@H](CNCCF)C1 ZINC001502094862 1019709305 /nfs/dbraw/zinc/70/93/05/1019709305.db2.gz PBTLRMRPMGCBQJ-AWEZNQCLSA-N 1 3 301.406 0.649 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001494195320 1020067318 /nfs/dbraw/zinc/06/73/18/1020067318.db2.gz GIXJLUUHJDPBPW-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001494195320 1020067327 /nfs/dbraw/zinc/06/73/27/1020067327.db2.gz GIXJLUUHJDPBPW-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@@H]1CNCCC1(F)F ZINC000418657649 295816887 /nfs/dbraw/zinc/81/68/87/295816887.db2.gz IBKXLAOYLLAZQC-QJPTWQEYSA-N 1 3 302.369 0.671 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C3CCOCC3)C[C@H]2C1 ZINC000365507630 283209116 /nfs/dbraw/zinc/20/91/16/283209116.db2.gz NCFDGPXNTCQDGO-LZWOXQAQSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C3CCOCC3)C[C@H]2C1 ZINC000365507630 283209119 /nfs/dbraw/zinc/20/91/19/283209119.db2.gz NCFDGPXNTCQDGO-LZWOXQAQSA-N 1 3 307.438 0.650 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000566008035 291263978 /nfs/dbraw/zinc/26/39/78/291263978.db2.gz FQDJADZNLANAGR-IHRRRGAJSA-N 1 3 300.447 0.912 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000566185425 291278769 /nfs/dbraw/zinc/27/87/69/291278769.db2.gz FDTWAAWWPFAEGJ-KRWDZBQOSA-N 1 3 318.465 0.825 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566508008 291310149 /nfs/dbraw/zinc/31/01/49/291310149.db2.gz DVUBIGLKBIUASD-GJZGRUSLSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000566667968 291317423 /nfs/dbraw/zinc/31/74/23/291317423.db2.gz BZCHYUFPRZETGF-MBNYWOFBSA-N 1 3 300.472 0.802 20 0 DCADHO O=c1n2ccccc2nn1CCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332072 240021420 /nfs/dbraw/zinc/02/14/20/240021420.db2.gz RGPFCNGSEOYAEL-CABCVRRESA-N 1 3 315.421 0.818 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275407242 212315430 /nfs/dbraw/zinc/31/54/30/212315430.db2.gz JTSPNKPNEDKQGT-UHFFFAOYSA-N 1 3 320.437 0.749 20 0 DCADHO C[NH+](C)CCCOC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000567232203 291344001 /nfs/dbraw/zinc/34/40/01/291344001.db2.gz IGUHERHZOOFLCJ-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)N[C@H]1CCCN(CCCO)C1 ZINC000457545595 241014322 /nfs/dbraw/zinc/01/43/22/241014322.db2.gz WLVTXBKNTJARBK-HNNXBMFYSA-N 1 3 312.458 0.618 20 0 DCADHO O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCCN(CCCO)C1 ZINC000457608133 241020467 /nfs/dbraw/zinc/02/04/67/241020467.db2.gz WOZYURVUEQBDSJ-HNNXBMFYSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CCC[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000497307763 241277317 /nfs/dbraw/zinc/27/73/17/241277317.db2.gz XELHXJPENLKCMC-LBPRGKRZSA-N 1 3 313.446 0.967 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000567751228 291375166 /nfs/dbraw/zinc/37/51/66/291375166.db2.gz WSNSXOCOZDOXOU-UHFFFAOYSA-N 1 3 311.426 0.520 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccncc1OCCN(C)C ZINC000567822089 291381065 /nfs/dbraw/zinc/38/10/65/291381065.db2.gz WYEXMVNNOIWAHY-STQMWFEESA-N 1 3 323.441 0.947 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+](C)C ZINC000567845170 291384324 /nfs/dbraw/zinc/38/43/24/291384324.db2.gz MXACLIPDUVXMLS-KBPBESRZSA-N 1 3 308.430 0.487 20 0 DCADHO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1[nH]nc2c1CNCC2 ZINC000375964884 284003732 /nfs/dbraw/zinc/00/37/32/284003732.db2.gz OXHDOJKBMGKKSX-OAHLLOKOSA-N 1 3 311.389 0.672 20 0 DCADHO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)COC1CNC1 ZINC000569240502 291469051 /nfs/dbraw/zinc/46/90/51/291469051.db2.gz VJMHNJMSBIKXRQ-LBPRGKRZSA-N 1 3 324.450 0.378 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000339634481 253118334 /nfs/dbraw/zinc/11/83/34/253118334.db2.gz WJENIKDIHLCHKQ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339634831 253118662 /nfs/dbraw/zinc/11/86/62/253118662.db2.gz HWBWAMMQROQNLE-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000339639274 253120408 /nfs/dbraw/zinc/12/04/08/253120408.db2.gz STRKOCZQFUZURJ-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339666497 253123125 /nfs/dbraw/zinc/12/31/25/253123125.db2.gz AOOQKOHGWQLVFI-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000339672472 253123804 /nfs/dbraw/zinc/12/38/04/253123804.db2.gz YRKPLXWPPNVXCB-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339963671 253170722 /nfs/dbraw/zinc/17/07/22/253170722.db2.gz ZBQMACCROBEWBW-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1C ZINC000340520011 253270984 /nfs/dbraw/zinc/27/09/84/253270984.db2.gz XHNOJYUIMFGBSC-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000340520011 253270986 /nfs/dbraw/zinc/27/09/86/253270986.db2.gz XHNOJYUIMFGBSC-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000348141935 254222618 /nfs/dbraw/zinc/22/26/18/254222618.db2.gz MUSIEYYSWPGNQX-UHFFFAOYSA-N 1 3 322.453 0.929 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000348761659 254253236 /nfs/dbraw/zinc/25/32/36/254253236.db2.gz JKJXJMQVNYMPPW-AWEZNQCLSA-N 1 3 324.469 0.552 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000348761659 254253237 /nfs/dbraw/zinc/25/32/37/254253237.db2.gz JKJXJMQVNYMPPW-AWEZNQCLSA-N 1 3 324.469 0.552 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000349940859 254305131 /nfs/dbraw/zinc/30/51/31/254305131.db2.gz XTTDMDUVSMTVKC-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000349940859 254305132 /nfs/dbraw/zinc/30/51/32/254305132.db2.gz XTTDMDUVSMTVKC-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000376696231 285322001 /nfs/dbraw/zinc/32/20/01/285322001.db2.gz VLPWGKAXRMQMCC-HIFRSBDPSA-N 1 3 300.422 0.078 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417757258 262260709 /nfs/dbraw/zinc/26/07/09/262260709.db2.gz SZBSZYZXCGKVFR-UONOGXRCSA-N 1 3 300.447 0.642 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCOC3)CC2)CC1 ZINC000051761600 395854418 /nfs/dbraw/zinc/85/44/18/395854418.db2.gz OSQNBNJBXGEHDH-AWEZNQCLSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000121933194 395885739 /nfs/dbraw/zinc/88/57/39/395885739.db2.gz QLISZARMDKQWTR-ILXRZTDVSA-N 1 3 324.469 0.467 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261842712 396071875 /nfs/dbraw/zinc/07/18/75/396071875.db2.gz OBARAXKPLQSSLS-JKSUJKDBSA-N 1 3 310.486 0.766 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@H]2CC[NH3+])C1 ZINC000250939202 396016075 /nfs/dbraw/zinc/01/60/75/396016075.db2.gz IBCIOMUHZWDJPB-KGLIPLIRSA-N 1 3 303.472 0.861 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000278034867 396101971 /nfs/dbraw/zinc/10/19/71/396101971.db2.gz XESLMZCCQNLDBQ-XHSDSOJGSA-N 1 3 305.422 0.909 20 0 DCADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](N)COC)cc2)CC1 ZINC000262181660 396108139 /nfs/dbraw/zinc/10/81/39/396108139.db2.gz BPAWNMRJHJWYCJ-INIZCTEOSA-N 1 3 320.437 0.736 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000171200081 396110887 /nfs/dbraw/zinc/11/08/87/396110887.db2.gz OLKUQEOIFUWXKZ-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262340765 396127194 /nfs/dbraw/zinc/12/71/94/396127194.db2.gz AGRRYOIBROVOSW-ZFWWWQNUSA-N 1 3 323.462 0.799 20 0 DCADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262441304 396140229 /nfs/dbraw/zinc/14/02/29/396140229.db2.gz CSDKQZHQHQEMMS-GUTXKFCHSA-N 1 3 323.462 0.799 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000263265231 396210117 /nfs/dbraw/zinc/21/01/17/396210117.db2.gz UXALYJAHMFQMIC-HNNXBMFYSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000178830713 396210918 /nfs/dbraw/zinc/21/09/18/396210918.db2.gz JDDAMRCPZDCEIW-QGZVFWFLSA-N 1 3 318.465 0.699 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000262967874 396195530 /nfs/dbraw/zinc/19/55/30/396195530.db2.gz XGJSESFZNRTYNF-HNNXBMFYSA-N 1 3 309.410 0.607 20 0 DCADHO CC1C[C@H](C(=O)NCCN(C)C)[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000185482834 396328789 /nfs/dbraw/zinc/32/87/89/396328789.db2.gz BJASLZBAVNZMSI-KBPBESRZSA-N 1 3 312.458 0.004 20 0 DCADHO CSC[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000187868348 396375356 /nfs/dbraw/zinc/37/53/56/396375356.db2.gz OZGUWVPOTLUYNH-ZDUSSCGKSA-N 1 3 303.472 0.100 20 0 DCADHO CN(C)CCN(C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C1CC1 ZINC000580891541 396508904 /nfs/dbraw/zinc/50/89/04/396508904.db2.gz QAXDVKRPJLNJAI-HNNXBMFYSA-N 1 3 305.426 0.974 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000581725232 396578982 /nfs/dbraw/zinc/57/89/82/396578982.db2.gz CWJCWNLMTXEILW-IHRRRGAJSA-N 1 3 306.414 0.288 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(N)=O)c1 ZINC000530641655 396580436 /nfs/dbraw/zinc/58/04/36/396580436.db2.gz BGXDNJFKHUBKLS-UHFFFAOYSA-N 1 3 306.410 0.351 20 0 DCADHO COC[C@]1(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CCC[NH2+]1 ZINC000584829080 396626787 /nfs/dbraw/zinc/62/67/87/396626787.db2.gz SFLZDHXIFGVSRV-RHSMWYFYSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000584843822 396629484 /nfs/dbraw/zinc/62/94/84/396629484.db2.gz SVLMWVXZZNKHOF-GUTXKFCHSA-N 1 3 320.441 0.773 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000584843822 396629487 /nfs/dbraw/zinc/62/94/87/396629487.db2.gz SVLMWVXZZNKHOF-GUTXKFCHSA-N 1 3 320.441 0.773 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1=O ZINC000595895065 396677617 /nfs/dbraw/zinc/67/76/17/396677617.db2.gz CJOGQNUUUPQSSC-ILXRZTDVSA-N 1 3 323.437 0.472 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CCCO1 ZINC000562815427 396681101 /nfs/dbraw/zinc/68/11/01/396681101.db2.gz MILPSBFJCRLJFY-GOEBONIOSA-N 1 3 318.421 0.633 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1CC[NH2+]CC1 ZINC000562813157 396681129 /nfs/dbraw/zinc/68/11/29/396681129.db2.gz XKYREXGGACVTFC-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2)cc1F ZINC000629554301 396784706 /nfs/dbraw/zinc/78/47/06/396784706.db2.gz FMZVWZYPWNZTHD-HNNXBMFYSA-N 1 3 323.412 0.910 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000629524873 396776479 /nfs/dbraw/zinc/77/64/79/396776479.db2.gz VFXGUPBKZROZPN-MGPQQGTHSA-N 1 3 315.425 0.681 20 0 DCADHO CN1CCN(c2ccnc(NC(=O)[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC000634194865 396812271 /nfs/dbraw/zinc/81/22/71/396812271.db2.gz XAJWQPXIOGQWKM-CYBMUJFWSA-N 1 3 303.410 0.724 20 0 DCADHO CN1CCN(c2ccnc(NC(=O)[C@@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000634194865 396812273 /nfs/dbraw/zinc/81/22/73/396812273.db2.gz XAJWQPXIOGQWKM-CYBMUJFWSA-N 1 3 303.410 0.724 20 0 DCADHO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564868926 396885836 /nfs/dbraw/zinc/88/58/36/396885836.db2.gz KVRSVQHNABUAEV-LVQVYYBASA-N 1 3 301.475 0.775 20 0 DCADHO CN(CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCC1 ZINC000629956074 396893695 /nfs/dbraw/zinc/89/36/95/396893695.db2.gz VRQYIWDRVRMGQP-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCC1 ZINC000629956074 396893701 /nfs/dbraw/zinc/89/37/01/396893701.db2.gz VRQYIWDRVRMGQP-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CC[C@H](CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)O1 ZINC000634688304 396899057 /nfs/dbraw/zinc/89/90/57/396899057.db2.gz OUUDAEMAPFPPHA-DMRZNYOFSA-N 1 3 322.453 0.774 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C2CCOCC2)CCCO1 ZINC000564954560 396909598 /nfs/dbraw/zinc/90/95/98/396909598.db2.gz USOJMSAUKPIOSB-GJZGRUSLSA-N 1 3 311.426 0.206 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CN1C1CC1 ZINC000333127887 396918876 /nfs/dbraw/zinc/91/88/76/396918876.db2.gz BGNRUFRSLJCIQA-YCPHGPKFSA-N 1 3 321.469 0.301 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000570943669 396940400 /nfs/dbraw/zinc/94/04/00/396940400.db2.gz FVTAUISCASNFGE-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000339577354 396959852 /nfs/dbraw/zinc/95/98/52/396959852.db2.gz YKOHAVBDJZOALA-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000339581158 396960212 /nfs/dbraw/zinc/96/02/12/396960212.db2.gz MFYDGMUPIALGPF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000571695147 396979601 /nfs/dbraw/zinc/97/96/01/396979601.db2.gz ZZZGBXSMSMXKBX-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](CN1CCOCC1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343725636 397000050 /nfs/dbraw/zinc/00/00/50/397000050.db2.gz FCHRVEWKRUQMDZ-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H](CN1CCOCC1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343725636 397000056 /nfs/dbraw/zinc/00/00/56/397000056.db2.gz FCHRVEWKRUQMDZ-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H](CN1CCOCC1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343725636 397000063 /nfs/dbraw/zinc/00/00/63/397000063.db2.gz FCHRVEWKRUQMDZ-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347984177 397035286 /nfs/dbraw/zinc/03/52/86/397035286.db2.gz VRSMSZDIPLXQBB-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340479563 396970212 /nfs/dbraw/zinc/97/02/12/396970212.db2.gz RSWNSFWLCBNZDO-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340479563 396970216 /nfs/dbraw/zinc/97/02/16/396970216.db2.gz RSWNSFWLCBNZDO-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000571639551 396971671 /nfs/dbraw/zinc/97/16/71/396971671.db2.gz PFXSEUGCXPSHQU-MRXNPFEDSA-N 1 3 320.437 0.791 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000571676489 396978227 /nfs/dbraw/zinc/97/82/27/396978227.db2.gz VLPWAWPMDMAKIK-GFCCVEGCSA-N 1 3 311.426 0.518 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000612549197 397091670 /nfs/dbraw/zinc/09/16/70/397091670.db2.gz VRODVSFXHJDLJH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)C1 ZINC000572869671 397105823 /nfs/dbraw/zinc/10/58/23/397105823.db2.gz IQMSJTNUEOUVID-WDEREUQCSA-N 1 3 310.423 0.926 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377931696 397165682 /nfs/dbraw/zinc/16/56/82/397165682.db2.gz KWLOOYMCYUUKQH-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377931696 397165683 /nfs/dbraw/zinc/16/56/83/397165683.db2.gz KWLOOYMCYUUKQH-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)CCN1C ZINC000378170444 397204414 /nfs/dbraw/zinc/20/44/14/397204414.db2.gz SDTVOKUFFWJXEX-BRWVUGGUSA-N 1 3 310.486 0.465 20 0 DCADHO COCCN(CCN(C)C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592558956 397214265 /nfs/dbraw/zinc/21/42/65/397214265.db2.gz FQBUGSVAIMEXJJ-ZDUSSCGKSA-N 1 3 323.441 0.369 20 0 DCADHO COCCN(CCN(C)C)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592558953 397214294 /nfs/dbraw/zinc/21/42/94/397214294.db2.gz FQBUGSVAIMEXJJ-CYBMUJFWSA-N 1 3 323.441 0.369 20 0 DCADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000574451306 397268279 /nfs/dbraw/zinc/26/82/79/397268279.db2.gz FXDQKPWHUJASFI-MNOVXSKESA-N 1 3 307.402 0.060 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419526498 397380605 /nfs/dbraw/zinc/38/06/05/397380605.db2.gz TYDARCOLKKQUBS-BYNSBNAKSA-N 1 3 324.469 0.337 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419783345 397383325 /nfs/dbraw/zinc/38/33/25/397383325.db2.gz VLYGSRMCZDAFLI-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420815834 397388282 /nfs/dbraw/zinc/38/82/82/397388282.db2.gz YBLUVIRXGACMQP-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420815834 397388286 /nfs/dbraw/zinc/38/82/86/397388286.db2.gz YBLUVIRXGACMQP-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621652871 397410052 /nfs/dbraw/zinc/41/00/52/397410052.db2.gz IYEDCVYEQOODRA-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C(=O)NCCN1CCCCC1 ZINC000578865079 397494114 /nfs/dbraw/zinc/49/41/14/397494114.db2.gz DBOLJEXIBPKGNL-RDBSUJKOSA-N 1 3 310.442 0.221 20 0 DCADHO CN(C)C/C=C\C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000492178317 397516067 /nfs/dbraw/zinc/51/60/67/397516067.db2.gz CSICPKMHBPHABH-BJYXUANLSA-N 1 3 309.454 0.988 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000579580685 397581036 /nfs/dbraw/zinc/58/10/36/397581036.db2.gz UQKQGXLJCRQSPT-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC[N@@H+]1C ZINC000579131748 397528313 /nfs/dbraw/zinc/52/83/13/397528313.db2.gz RIXBZYROTGBCPS-JSGCOSHPSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC[N@H+]1C ZINC000579131748 397528317 /nfs/dbraw/zinc/52/83/17/397528317.db2.gz RIXBZYROTGBCPS-JSGCOSHPSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC[N@@H+]1C ZINC000579131752 397528455 /nfs/dbraw/zinc/52/84/55/397528455.db2.gz RIXBZYROTGBCPS-TZMCWYRMSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC[N@H+]1C ZINC000579131752 397528456 /nfs/dbraw/zinc/52/84/56/397528456.db2.gz RIXBZYROTGBCPS-TZMCWYRMSA-N 1 3 322.453 0.328 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000579221196 397535201 /nfs/dbraw/zinc/53/52/01/397535201.db2.gz MFSORUYYYCJLLI-ZNMIVQPWSA-N 1 3 322.453 0.126 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2[C@@H]3CC[C@H]2CCN(C)C3)CC1 ZINC000579849959 397595631 /nfs/dbraw/zinc/59/56/31/397595631.db2.gz IMIJGLJCDQPXLH-JKSUJKDBSA-N 1 3 308.470 0.755 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000605413666 397664400 /nfs/dbraw/zinc/66/44/00/397664400.db2.gz SSBRLPKHODCENT-CABCVRRESA-N 1 3 312.458 0.737 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000605413666 397664403 /nfs/dbraw/zinc/66/44/03/397664403.db2.gz SSBRLPKHODCENT-CABCVRRESA-N 1 3 312.458 0.737 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000454532634 292348867 /nfs/dbraw/zinc/34/88/67/292348867.db2.gz VQZGTMMRTZOJAX-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000120645764 158202136 /nfs/dbraw/zinc/20/21/36/158202136.db2.gz ZZISGDDQPBOWDZ-QGZVFWFLSA-N 1 3 322.453 0.860 20 0 DCADHO C[C@H]1CN(CCc2ccnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367258725 159325396 /nfs/dbraw/zinc/32/53/96/159325396.db2.gz RYIASQAZUVFNBG-RDJZCZTQSA-N 1 3 305.470 0.920 20 0 DCADHO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CN3CCN1CCC3)CC2 ZINC000355345998 287179903 /nfs/dbraw/zinc/17/99/03/287179903.db2.gz JWKKZQIYGXPSBE-HNNXBMFYSA-N 1 3 306.454 0.463 20 0 DCADHO C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CN3CCN1CCC3)CC2 ZINC000355345998 287179904 /nfs/dbraw/zinc/17/99/04/287179904.db2.gz JWKKZQIYGXPSBE-HNNXBMFYSA-N 1 3 306.454 0.463 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418185162 287241930 /nfs/dbraw/zinc/24/19/30/287241930.db2.gz AQEKDDDVXBRGCD-GFCCVEGCSA-N 1 3 309.414 0.416 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418953028 287256856 /nfs/dbraw/zinc/25/68/56/287256856.db2.gz VZNLKDJGRUIXRH-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000418953026 287256882 /nfs/dbraw/zinc/25/68/82/287256882.db2.gz VZNLKDJGRUIXRH-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419021290 287261635 /nfs/dbraw/zinc/26/16/35/287261635.db2.gz GSLZKBKHMHNEKA-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC2CC[NH2+]CC2)C1 ZINC000419051017 287264417 /nfs/dbraw/zinc/26/44/17/287264417.db2.gz ZOADGAGRWIZOIT-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419149621 287269603 /nfs/dbraw/zinc/26/96/03/287269603.db2.gz FJLNDVPIRAOKRL-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)CNC(=O)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345374 287293166 /nfs/dbraw/zinc/29/31/66/287293166.db2.gz WAPDLFIEPPCFDS-KBPBESRZSA-N 1 3 310.442 0.790 20 0 DCADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(N(C)C)nc1 ZINC000272448210 415284570 /nfs/dbraw/zinc/28/45/70/415284570.db2.gz DIMBVENZJLESQZ-UHFFFAOYSA-N 1 3 306.458 0.612 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000332335485 415351364 /nfs/dbraw/zinc/35/13/64/415351364.db2.gz RQJYSSRGSIXPBJ-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422914275 287303856 /nfs/dbraw/zinc/30/38/56/287303856.db2.gz SOPLLRQWMBRCDB-ARFHVFGLSA-N 1 3 324.469 0.027 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422902473 287302577 /nfs/dbraw/zinc/30/25/77/287302577.db2.gz DHJLPWUEIDFZHG-JKSUJKDBSA-N 1 3 304.438 0.947 20 0 DCADHO COCCCN(C)CCNC(=O)NCC1CC[NH+](C)CC1 ZINC000074104769 415426732 /nfs/dbraw/zinc/42/67/32/415426732.db2.gz BMJJKYVAZHDLPC-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343160457 415479132 /nfs/dbraw/zinc/47/91/32/415479132.db2.gz SVHQBPIDDZZCKM-BBWFWOEESA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343160457 415479138 /nfs/dbraw/zinc/47/91/38/415479138.db2.gz SVHQBPIDDZZCKM-BBWFWOEESA-N 1 3 322.497 0.861 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000343212808 415506962 /nfs/dbraw/zinc/50/69/62/415506962.db2.gz SNMWETJCIBCLCO-INIZCTEOSA-N 1 3 322.497 0.910 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000343213521 415506979 /nfs/dbraw/zinc/50/69/79/415506979.db2.gz WZHLLEDJPDXRSA-HNNXBMFYSA-N 1 3 308.470 0.520 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000353513339 415575192 /nfs/dbraw/zinc/57/51/92/415575192.db2.gz LCDIOWXVMNPLGA-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)C(C)(C)C[NH+](C)C ZINC000343287937 415533068 /nfs/dbraw/zinc/53/30/68/415533068.db2.gz PMTANRKAPLZQAB-LBPRGKRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000343489059 415615983 /nfs/dbraw/zinc/61/59/83/415615983.db2.gz KEVXMNUGAPAJAK-UHFFFAOYSA-N 1 3 313.442 0.720 20 0 DCADHO CSCC[C@@H](N)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353652333 415617464 /nfs/dbraw/zinc/61/74/64/415617464.db2.gz YAFXPFVUCKHYLW-CYBMUJFWSA-N 1 3 315.483 0.828 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343681289 415683331 /nfs/dbraw/zinc/68/33/31/415683331.db2.gz SOYWLFNZZZCROZ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000343681289 415683335 /nfs/dbraw/zinc/68/33/35/415683335.db2.gz SOYWLFNZZZCROZ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111852321 415697169 /nfs/dbraw/zinc/69/71/69/415697169.db2.gz USZHFGLCQSVOCM-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO CO[C@H](CN)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000289994711 415746722 /nfs/dbraw/zinc/74/67/22/415746722.db2.gz OZSUMFWTFNYKEG-MRXNPFEDSA-N 1 3 305.422 0.989 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000333826759 415746946 /nfs/dbraw/zinc/74/69/46/415746946.db2.gz LSTKWHSMQYWSRZ-IIAWOOMASA-N 1 3 324.469 0.879 20 0 DCADHO CO[C@H](CN)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290164079 415770258 /nfs/dbraw/zinc/77/02/58/415770258.db2.gz OEUOMLGHNZZOPH-JKSUJKDBSA-N 1 3 305.422 0.941 20 0 DCADHO CO[C@H](CN)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290164079 415770265 /nfs/dbraw/zinc/77/02/65/415770265.db2.gz OEUOMLGHNZZOPH-JKSUJKDBSA-N 1 3 305.422 0.941 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000344176897 415859128 /nfs/dbraw/zinc/85/91/28/415859128.db2.gz JDBQUUNZYHBWND-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000344176897 415859133 /nfs/dbraw/zinc/85/91/33/415859133.db2.gz JDBQUUNZYHBWND-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCC(NC(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000337519052 415971893 /nfs/dbraw/zinc/97/18/93/415971893.db2.gz BFWQBYTUNUJYEJ-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC(NC(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000337519052 415971897 /nfs/dbraw/zinc/97/18/97/415971897.db2.gz BFWQBYTUNUJYEJ-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000357202263 416044097 /nfs/dbraw/zinc/04/40/97/416044097.db2.gz DMSMDAJMEUDAND-LSDHHAIUSA-N 1 3 322.453 0.234 20 0 DCADHO CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000357202263 416044099 /nfs/dbraw/zinc/04/40/99/416044099.db2.gz DMSMDAJMEUDAND-LSDHHAIUSA-N 1 3 322.453 0.234 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000357223392 416046641 /nfs/dbraw/zinc/04/66/41/416046641.db2.gz JCTKSCSIVUWONN-SOLBZPMBSA-N 1 3 322.497 0.908 20 0 DCADHO CCN1CC[C@H]([N@H+](C)CCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000338305898 416075013 /nfs/dbraw/zinc/07/50/13/416075013.db2.gz NHNWXGRJAHERAA-CVEARBPZSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CC[C@H]([N@@H+](C)CCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000338305898 416075016 /nfs/dbraw/zinc/07/50/16/416075016.db2.gz NHNWXGRJAHERAA-CVEARBPZSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000338305898 416075019 /nfs/dbraw/zinc/07/50/19/416075019.db2.gz NHNWXGRJAHERAA-CVEARBPZSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000338305898 416075021 /nfs/dbraw/zinc/07/50/21/416075021.db2.gz NHNWXGRJAHERAA-CVEARBPZSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000303982390 416103252 /nfs/dbraw/zinc/10/32/52/416103252.db2.gz GJKFGBKYTQZQNV-CABCVRRESA-N 1 3 314.474 0.719 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357845450 416141171 /nfs/dbraw/zinc/14/11/71/416141171.db2.gz DAPTXIZPDSEVEI-CQSZACIVSA-N 1 3 312.458 0.904 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357845450 416141172 /nfs/dbraw/zinc/14/11/72/416141172.db2.gz DAPTXIZPDSEVEI-CQSZACIVSA-N 1 3 312.458 0.904 20 0 DCADHO COCCNCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000178828835 416174251 /nfs/dbraw/zinc/17/42/51/416174251.db2.gz WESCDRAPMXUNLT-UHFFFAOYSA-N 1 3 313.442 0.326 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1(N)Cc2ccccc2C1 ZINC000178841404 416174566 /nfs/dbraw/zinc/17/45/66/416174566.db2.gz ABZKWRNSKKLESV-INIZCTEOSA-N 1 3 319.449 0.956 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000341600038 416212441 /nfs/dbraw/zinc/21/24/41/416212441.db2.gz AKZQBAVDLKLVEY-HIFRSBDPSA-N 1 3 324.469 0.879 20 0 DCADHO COCCN(C)CCNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189798348 416271406 /nfs/dbraw/zinc/27/14/06/416271406.db2.gz STHBAGXDGWZDDH-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000358808479 416277039 /nfs/dbraw/zinc/27/70/39/416277039.db2.gz FZQOKJPZBVJBBR-CVEARBPZSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000358808479 416277040 /nfs/dbraw/zinc/27/70/40/416277040.db2.gz FZQOKJPZBVJBBR-CVEARBPZSA-N 1 3 323.485 0.502 20 0 DCADHO O=C(CN1CCN(CCC2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000359212734 416315165 /nfs/dbraw/zinc/31/51/65/416315165.db2.gz FISSFWOWNYIUTG-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCOCC1 ZINC000359312440 416320704 /nfs/dbraw/zinc/32/07/04/416320704.db2.gz KZPALCACEIWOQA-CYBMUJFWSA-N 1 3 310.442 0.633 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351759938 416282599 /nfs/dbraw/zinc/28/25/99/416282599.db2.gz FBLIOUNGTBQRSG-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000358861494 416286842 /nfs/dbraw/zinc/28/68/42/416286842.db2.gz RYOXLQNAZUSZEQ-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000262052844 416335932 /nfs/dbraw/zinc/33/59/32/416335932.db2.gz RAWIFDDFNSQMBA-NEPJUHHUSA-N 1 3 324.391 0.525 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000262061355 416336152 /nfs/dbraw/zinc/33/61/52/416336152.db2.gz NZGVFDVGEKCEBC-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415662424 416350708 /nfs/dbraw/zinc/35/07/08/416350708.db2.gz QGOBPYPBHBAENW-CYBMUJFWSA-N 1 3 320.437 0.843 20 0 DCADHO COc1cccc(C[NH2+]CCCCN2CCN(CCO)CC2)n1 ZINC000359721402 416355523 /nfs/dbraw/zinc/35/55/23/416355523.db2.gz SMIMBZVNMHSFEO-UHFFFAOYSA-N 1 3 322.453 0.570 20 0 DCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000236997518 416328320 /nfs/dbraw/zinc/32/83/20/416328320.db2.gz ARXOVCMKVTUCLQ-ZFWWWQNUSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC000419892817 416414649 /nfs/dbraw/zinc/41/46/49/416414649.db2.gz JVYQRDJBHVHEFC-KBUPBQIOSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCCO[C@@H](C)C2)CC[NH2+]1 ZINC000418122227 416385498 /nfs/dbraw/zinc/38/54/98/416385498.db2.gz XXEZABBDVNRKBX-ILXRZTDVSA-N 1 3 312.458 0.927 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418663125 416388516 /nfs/dbraw/zinc/38/85/16/416388516.db2.gz FKIYOUIDJSDFTC-HDJSIYSDSA-N 1 3 300.447 0.365 20 0 DCADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418706341 416389545 /nfs/dbraw/zinc/38/95/45/416389545.db2.gz OQGFJPJYOBPIMI-ZIAGYGMSSA-N 1 3 300.447 0.866 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC[NH2+]C)c1ccccc1 ZINC000418867059 416392384 /nfs/dbraw/zinc/39/23/84/416392384.db2.gz UFYZGJPCVUXQCZ-OAHLLOKOSA-N 1 3 320.437 0.521 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418990346 416395825 /nfs/dbraw/zinc/39/58/25/416395825.db2.gz VFVFMELGYCTRAC-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418990346 416395827 /nfs/dbraw/zinc/39/58/27/416395827.db2.gz VFVFMELGYCTRAC-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C1CC1 ZINC000419108352 416396406 /nfs/dbraw/zinc/39/64/06/416396406.db2.gz QNBTVKAPIXFCSG-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000419414693 416401148 /nfs/dbraw/zinc/40/11/48/416401148.db2.gz UGNOARDJOVQBTE-KFWWJZLASA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000419624547 416404480 /nfs/dbraw/zinc/40/44/80/416404480.db2.gz KHSUKTGLPNXHKO-IPYPFGDCSA-N 1 3 322.453 0.481 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419767293 416409589 /nfs/dbraw/zinc/40/95/89/416409589.db2.gz SOXIDCFUURPMON-KKUMJFAQSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423065956 416464791 /nfs/dbraw/zinc/46/47/91/416464791.db2.gz VSGURZBNBQHZKW-KGLIPLIRSA-N 1 3 312.458 0.228 20 0 DCADHO COC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000533088632 416472487 /nfs/dbraw/zinc/47/24/87/416472487.db2.gz XCLLQONDQFYDFR-AWEZNQCLSA-N 1 3 300.447 0.546 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458478257 416474174 /nfs/dbraw/zinc/47/41/74/416474174.db2.gz CHSQKUAMKXOVSZ-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458478257 416474177 /nfs/dbraw/zinc/47/41/77/416474177.db2.gz CHSQKUAMKXOVSZ-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CN1C1CC1 ZINC000458532556 416478389 /nfs/dbraw/zinc/47/83/89/416478389.db2.gz WTSSEXOZTROUEF-IIAWOOMASA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CN1C1CC1 ZINC000458532556 416478395 /nfs/dbraw/zinc/47/83/95/416478395.db2.gz WTSSEXOZTROUEF-IIAWOOMASA-N 1 3 324.469 0.758 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000583988570 416491356 /nfs/dbraw/zinc/49/13/56/416491356.db2.gz DJZQDEKPKQOYKX-KGLIPLIRSA-N 1 3 308.426 0.023 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000533979475 416491468 /nfs/dbraw/zinc/49/14/68/416491468.db2.gz FIOXKGUMYBRSKL-AWEZNQCLSA-N 1 3 323.485 0.548 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000583935039 416486874 /nfs/dbraw/zinc/48/68/74/416486874.db2.gz LSSRYPPBGUOVOF-OLZOCXBDSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C1=CCN(C)CC1 ZINC000458638873 416488410 /nfs/dbraw/zinc/48/84/10/416488410.db2.gz UDKPNRFWWNVCDX-HOCLYGCPSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C1=CCN(C)CC1 ZINC000458638873 416488415 /nfs/dbraw/zinc/48/84/15/416488415.db2.gz UDKPNRFWWNVCDX-HOCLYGCPSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000422964115 416451741 /nfs/dbraw/zinc/45/17/41/416451741.db2.gz HUYKQVLGMAUULO-ZTFGCOKTSA-N 1 3 303.450 0.993 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000536533378 416541599 /nfs/dbraw/zinc/54/15/99/416541599.db2.gz UMKWSACPODCGAQ-INIZCTEOSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC[C@H]1N1CCN(C)CC1 ZINC000536551742 416542814 /nfs/dbraw/zinc/54/28/14/416542814.db2.gz MOHDJNMCTFQGGF-OWCLPIDISA-N 1 3 308.470 0.423 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC[C@H]1N1CCN(C)CC1 ZINC000536551742 416542817 /nfs/dbraw/zinc/54/28/17/416542817.db2.gz MOHDJNMCTFQGGF-OWCLPIDISA-N 1 3 308.470 0.423 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000486976336 416554620 /nfs/dbraw/zinc/55/46/20/416554620.db2.gz ZFHUBRSWJBNOIV-VYDXJSESSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000486976336 416554623 /nfs/dbraw/zinc/55/46/23/416554623.db2.gz ZFHUBRSWJBNOIV-VYDXJSESSA-N 1 3 322.497 0.811 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000423370662 416499535 /nfs/dbraw/zinc/49/95/35/416499535.db2.gz HBKWPOBWMSZXGQ-OAHLLOKOSA-N 1 3 310.442 0.126 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423420081 416508399 /nfs/dbraw/zinc/50/83/99/416508399.db2.gz ATAIRGXTKFGHQX-HUUCEWRRSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000364699999 416592866 /nfs/dbraw/zinc/59/28/66/416592866.db2.gz UDYSKCVBIGKLJR-CWRNSKLLSA-N 1 3 322.453 0.799 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000364699999 416592873 /nfs/dbraw/zinc/59/28/73/416592873.db2.gz UDYSKCVBIGKLJR-CWRNSKLLSA-N 1 3 322.453 0.799 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)CC[N@@H+]1C ZINC000438704490 416601037 /nfs/dbraw/zinc/60/10/37/416601037.db2.gz CIWLVFSELJLGCL-CHWSQXEVSA-N 1 3 308.430 1.049 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)Nc2ccn(CCN(C)C)n2)CC[N@H+]1C ZINC000438704490 416601041 /nfs/dbraw/zinc/60/10/41/416601041.db2.gz CIWLVFSELJLGCL-CHWSQXEVSA-N 1 3 308.430 1.049 20 0 DCADHO CN(C)CCOCCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423797895 416567731 /nfs/dbraw/zinc/56/77/31/416567731.db2.gz NQASNZIJLYZIHA-QGZVFWFLSA-N 1 3 305.422 0.612 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424137246 416616568 /nfs/dbraw/zinc/61/65/68/416616568.db2.gz BVRRZYJNYKQNCT-HZSPNIEDSA-N 1 3 318.425 0.511 20 0 DCADHO NC1(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCOCC1 ZINC000424201461 416625715 /nfs/dbraw/zinc/62/57/15/416625715.db2.gz SAEJCUYCXIEFOB-UHFFFAOYSA-N 1 3 307.438 0.764 20 0 DCADHO CCN1CCN(CCCC[NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC000514933531 416683503 /nfs/dbraw/zinc/68/35/03/416683503.db2.gz SCGVJYARNFDBFF-AWEZNQCLSA-N 1 3 305.488 0.427 20 0 DCADHO CN1CCN(CC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000543609621 416641967 /nfs/dbraw/zinc/64/19/67/416641967.db2.gz PDWDORDSMXUTRL-INIZCTEOSA-N 1 3 322.497 0.814 20 0 DCADHO CN1CCN(CC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000543609621 416641971 /nfs/dbraw/zinc/64/19/71/416641971.db2.gz PDWDORDSMXUTRL-INIZCTEOSA-N 1 3 322.497 0.814 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000424463168 416648358 /nfs/dbraw/zinc/64/83/58/416648358.db2.gz GXVLPJVQOUEJKK-UHFFFAOYSA-N 1 3 318.421 0.946 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCN1C ZINC000424464963 416651024 /nfs/dbraw/zinc/65/10/24/416651024.db2.gz REJCMSYKKSIIPM-FAAHXZRKSA-N 1 3 320.441 0.339 20 0 DCADHO C[C@H](CNS(=O)(=O)CCC[NH+](C)C)N1CCC(C)CC1 ZINC000631813378 416750019 /nfs/dbraw/zinc/75/00/19/416750019.db2.gz TVORNZXFYHXGII-CQSZACIVSA-N 1 3 305.488 0.978 20 0 DCADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368890644 416703213 /nfs/dbraw/zinc/70/32/13/416703213.db2.gz YIVRLCVXZYZCCE-CABCVRRESA-N 1 3 324.469 0.975 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000515525206 416703342 /nfs/dbraw/zinc/70/33/42/416703342.db2.gz IFSYXRGYYQCVAT-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](CNS(=O)(=O)CCCN(C)C)C[NH+]1CCCCC1 ZINC000631777856 416738494 /nfs/dbraw/zinc/73/84/94/416738494.db2.gz PHSRXDQNXNYZJS-CQSZACIVSA-N 1 3 305.488 0.980 20 0 DCADHO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426451457 416768301 /nfs/dbraw/zinc/76/83/01/416768301.db2.gz QIPCWGNAAGHGBD-GOEBONIOSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000631859651 416768381 /nfs/dbraw/zinc/76/83/81/416768381.db2.gz BVPKXJYJMGGCQV-BMFZPTHFSA-N 1 3 304.438 0.827 20 0 DCADHO CN(C)CCCS(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000631901366 416786044 /nfs/dbraw/zinc/78/60/44/416786044.db2.gz AJAOYLSJNJSFMD-UHFFFAOYSA-N 1 3 314.455 0.432 20 0 DCADHO C[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)[C@H]1C[NH3+] ZINC000631905453 416788172 /nfs/dbraw/zinc/78/81/72/416788172.db2.gz NCEYYGUHLRPXAT-KGLIPLIRSA-N 1 3 303.472 0.861 20 0 DCADHO COC[C@@]1(CNS(=O)(=O)CCCN2CCCC2)CCC[NH2+]1 ZINC000631936367 416816675 /nfs/dbraw/zinc/81/66/75/416816675.db2.gz AKZOJEKAAVFJGC-AWEZNQCLSA-N 1 3 319.471 0.160 20 0 DCADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444190972 416818938 /nfs/dbraw/zinc/81/89/38/416818938.db2.gz XBYPDPCUUFCXGE-UKRRQHHQSA-N 1 3 316.405 0.684 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000517719812 416818919 /nfs/dbraw/zinc/81/89/19/416818919.db2.gz XVTWWMAXOBYYGI-HUUCEWRRSA-N 1 3 311.474 0.311 20 0 DCADHO [NH3+]CCCn1cc(C(=O)Nc2ccc3c(c2)CNCCO3)nn1 ZINC000518964091 416883651 /nfs/dbraw/zinc/88/36/51/416883651.db2.gz ZULQAUBYIPBSIS-UHFFFAOYSA-N 1 3 316.365 0.361 20 0 DCADHO C[NH+](C)CC1CN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000615510369 416849893 /nfs/dbraw/zinc/84/98/93/416849893.db2.gz HCHLCFGHRTXGAK-SFHVURJKSA-N 1 3 317.433 0.643 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CC1)[NH+](C)C ZINC000446603423 416936655 /nfs/dbraw/zinc/93/66/55/416936655.db2.gz DYJJMWUZOCSAKA-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC000446603423 416936657 /nfs/dbraw/zinc/93/66/57/416936657.db2.gz DYJJMWUZOCSAKA-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC000641893813 417016536 /nfs/dbraw/zinc/01/65/36/417016536.db2.gz QAVTXCPEJMXOSI-SOUVJXGZSA-N 1 3 310.442 0.347 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CCC[C@@H](C)C1 ZINC000565481005 416985493 /nfs/dbraw/zinc/98/54/93/416985493.db2.gz KUGHCPXJWHKJKD-ZOBORPQBSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000565728574 417012274 /nfs/dbraw/zinc/01/22/74/417012274.db2.gz OAZWSUFZHNKJQR-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000524242300 417098866 /nfs/dbraw/zinc/09/88/66/417098866.db2.gz XKTDZRSUUBCBBP-CQSZACIVSA-N 1 3 321.469 0.792 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000642439377 417051402 /nfs/dbraw/zinc/05/14/02/417051402.db2.gz DCKBUXCMBQAUKU-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000642439340 417052299 /nfs/dbraw/zinc/05/22/99/417052299.db2.gz BTMFNDLXDWOFDU-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000642439556 417053576 /nfs/dbraw/zinc/05/35/76/417053576.db2.gz MAETUGNBTPXMOK-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642439393 417053719 /nfs/dbraw/zinc/05/37/19/417053719.db2.gz DWYIEHAUAHBNPA-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000642431190 417053884 /nfs/dbraw/zinc/05/38/84/417053884.db2.gz QJGMHFASASMFON-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO COCC[C@@]1(C(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]C1 ZINC000430688035 417058516 /nfs/dbraw/zinc/05/85/16/417058516.db2.gz UHZVSLVWAWPLRX-LSDHHAIUSA-N 1 3 315.483 0.556 20 0 DCADHO CC(C)(CNC(=O)COC1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000430685507 417058644 /nfs/dbraw/zinc/05/86/44/417058644.db2.gz RJPKGJLGDIRPFG-UHFFFAOYSA-N 1 3 317.433 0.928 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC(=O)COC2CNC2)c1 ZINC000430765360 417063348 /nfs/dbraw/zinc/06/33/48/417063348.db2.gz VOUOAEMUTVDNKM-UHFFFAOYSA-N 1 3 307.394 0.232 20 0 DCADHO O=C(COC1CNC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000430760494 417064253 /nfs/dbraw/zinc/06/42/53/417064253.db2.gz JCVWBYSXHPGOCN-UHFFFAOYSA-N 1 3 317.433 0.798 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000642698678 417073005 /nfs/dbraw/zinc/07/30/05/417073005.db2.gz DHHHBUNGPBXVND-BFHYXJOUSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430865462 417073880 /nfs/dbraw/zinc/07/38/80/417073880.db2.gz CUTKTLISQKKXPQ-GFCCVEGCSA-N 1 3 318.421 0.712 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000642724499 417080867 /nfs/dbraw/zinc/08/08/67/417080867.db2.gz RWHYVKSLNUAPQS-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)C1CC[NH+](C)CC1 ZINC000642724487 417081421 /nfs/dbraw/zinc/08/14/21/417081421.db2.gz QSWIUYNIGPVUGW-VNHYZAJKSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN(CC)C2CC2)CC[C@H]1[NH3+] ZINC000642756029 417089067 /nfs/dbraw/zinc/08/90/67/417089067.db2.gz GMYAZWJDHDECGA-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000642785701 417095656 /nfs/dbraw/zinc/09/56/56/417095656.db2.gz DTDMTZGTFPXVLL-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCC[C@@H](C)C1 ZINC000642918841 417124168 /nfs/dbraw/zinc/12/41/68/417124168.db2.gz DYOKBKBUYFQEGO-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642906609 417116724 /nfs/dbraw/zinc/11/67/24/417116724.db2.gz WLALSMQIPSHTFP-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000642948667 417129432 /nfs/dbraw/zinc/12/94/32/417129432.db2.gz ASUXDZBJKQMYHI-APIJFGDWSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000642941721 417130202 /nfs/dbraw/zinc/13/02/02/417130202.db2.gz JCDPCYSKUJWYCT-KBPBESRZSA-N 1 3 312.458 0.465 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000642988261 417138656 /nfs/dbraw/zinc/13/86/56/417138656.db2.gz SFIZTWSJJUYSQF-ZIAGYGMSSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000449318134 417142313 /nfs/dbraw/zinc/14/23/13/417142313.db2.gz FIKRLMFXBADWCS-ZIAGYGMSSA-N 1 3 320.441 0.492 20 0 DCADHO [NH3+]C[C@@H](C(=O)N[C@@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000449668087 417160020 /nfs/dbraw/zinc/16/00/20/417160020.db2.gz SHXSHRFJTKUGCB-VXGBXAGGSA-N 1 3 301.312 0.981 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000632579672 417177801 /nfs/dbraw/zinc/17/78/01/417177801.db2.gz YNQUWMGUVIWZIT-OAHLLOKOSA-N 1 3 317.499 0.980 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000632579672 417177807 /nfs/dbraw/zinc/17/78/07/417177807.db2.gz YNQUWMGUVIWZIT-OAHLLOKOSA-N 1 3 317.499 0.980 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000637824726 417198364 /nfs/dbraw/zinc/19/83/64/417198364.db2.gz PXRWZLZMBZFWOV-HZPDHXFCSA-N 1 3 304.438 0.656 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000617349501 417205560 /nfs/dbraw/zinc/20/55/60/417205560.db2.gz PZOHHCXBBSEVLM-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000617349501 417205570 /nfs/dbraw/zinc/20/55/70/417205570.db2.gz PZOHHCXBBSEVLM-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000637841505 417205819 /nfs/dbraw/zinc/20/58/19/417205819.db2.gz SMSJSPBURDRCNS-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000637841505 417205829 /nfs/dbraw/zinc/20/58/29/417205829.db2.gz SMSJSPBURDRCNS-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000637846430 417206044 /nfs/dbraw/zinc/20/60/44/417206044.db2.gz GPAVZIVCPKISDK-LSDHHAIUSA-N 1 3 315.458 0.557 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CCO1 ZINC000637864902 417209641 /nfs/dbraw/zinc/20/96/41/417209641.db2.gz AECVMXBJHNOIHY-CWRNSKLLSA-N 1 3 320.437 0.020 20 0 DCADHO C[C@@H](C(=O)NC[C@H](C)N(C)C)[C@@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000412397308 417214704 /nfs/dbraw/zinc/21/47/04/417214704.db2.gz ZJGCKSQOYDAISP-IGQOVBAYSA-N 1 3 314.474 0.391 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000569605499 417272403 /nfs/dbraw/zinc/27/24/03/417272403.db2.gz KIKKKHXETTWIBT-YNEHKIRRSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433387705 417262721 /nfs/dbraw/zinc/26/27/21/417262721.db2.gz RUAYXNPNKWMXJG-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000638135843 417349261 /nfs/dbraw/zinc/34/92/61/417349261.db2.gz VDFHJMWNSLPHHQ-GOEBONIOSA-N 1 3 304.394 0.497 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627332817 417358359 /nfs/dbraw/zinc/35/83/59/417358359.db2.gz KUIJICWDNFYAHJ-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO COC(=O)CC[N@H+](CC(C)C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414699586 417297293 /nfs/dbraw/zinc/29/72/93/417297293.db2.gz JAIVSUHEGHJNSR-AWEZNQCLSA-N 1 3 313.442 0.705 20 0 DCADHO COC(=O)CC[N@@H+](CC(C)C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414699586 417297299 /nfs/dbraw/zinc/29/72/99/417297299.db2.gz JAIVSUHEGHJNSR-AWEZNQCLSA-N 1 3 313.442 0.705 20 0 DCADHO CN1CCN(CC2(C)CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000627249985 417301109 /nfs/dbraw/zinc/30/11/09/417301109.db2.gz QDVNGXBGDXHMHO-OAHLLOKOSA-N 1 3 323.485 0.407 20 0 DCADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638063635 417307858 /nfs/dbraw/zinc/30/78/58/417307858.db2.gz NYHDJNAPIFTVOF-LSDHHAIUSA-N 1 3 307.394 0.359 20 0 DCADHO c1ccc(N2CCOCC2)c(CNCCN2CC[NH2+]CC2)c1 ZINC000414867885 417308764 /nfs/dbraw/zinc/30/87/64/417308764.db2.gz OZVYFLBDDBQXCM-UHFFFAOYSA-N 1 3 304.438 0.518 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414874520 417309154 /nfs/dbraw/zinc/30/91/54/417309154.db2.gz HZQLYLNFYJLGIJ-UHFFFAOYSA-N 1 3 318.421 0.727 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414874520 417309161 /nfs/dbraw/zinc/30/91/61/417309161.db2.gz HZQLYLNFYJLGIJ-UHFFFAOYSA-N 1 3 318.421 0.727 20 0 DCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CCN(C3CC3)CC1)C2 ZINC000621839581 417317475 /nfs/dbraw/zinc/31/74/75/417317475.db2.gz VBBNRNHUMFKZHN-PXAZEXFGSA-N 1 3 320.437 0.069 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621844057 417319476 /nfs/dbraw/zinc/31/94/76/417319476.db2.gz OJQGQNXFGMNOTE-KEYYUXOJSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCC2(N(C)C)CCC2)c1 ZINC000415082983 417328346 /nfs/dbraw/zinc/32/83/46/417328346.db2.gz MNSQMHOFAAMYCY-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO COC[C@]1(C(=O)NCC2([NH+](C)C)CCOCC2)CCCCN1 ZINC000638111684 417335240 /nfs/dbraw/zinc/33/52/40/417335240.db2.gz PJVKJDUTADHARE-INIZCTEOSA-N 1 3 313.442 0.372 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000638115939 417337099 /nfs/dbraw/zinc/33/70/99/417337099.db2.gz BLFYCXFHYLELTA-OAGGEKHMSA-N 1 3 303.406 0.883 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000638129224 417344415 /nfs/dbraw/zinc/34/44/15/417344415.db2.gz XEBKBNQRWDATBA-DMRZNYOFSA-N 1 3 303.406 0.882 20 0 DCADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC000638231406 417384274 /nfs/dbraw/zinc/38/42/74/417384274.db2.gz MNQDNBMBCKNUSB-UINNMSKDSA-N 1 3 310.423 0.665 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000627387800 417386883 /nfs/dbraw/zinc/38/68/83/417386883.db2.gz ASGVAQLKBYLCEU-UHFFFAOYSA-N 1 3 320.437 0.214 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638271174 417396878 /nfs/dbraw/zinc/39/68/78/417396878.db2.gz UKWZMQQRDZCNNO-CABCVRRESA-N 1 3 304.438 0.702 20 0 DCADHO CCN1CCN(CC(C)(C)[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000451990606 417428172 /nfs/dbraw/zinc/42/81/72/417428172.db2.gz RKGHLEUOLRIFOY-MRXNPFEDSA-N 1 3 312.502 0.447 20 0 DCADHO CCN1CCN(CC(C)(C)NC[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000451990606 417428179 /nfs/dbraw/zinc/42/81/79/417428179.db2.gz RKGHLEUOLRIFOY-MRXNPFEDSA-N 1 3 312.502 0.447 20 0 DCADHO CCN1CCN(CC(C)(C)NC[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000451990606 417428183 /nfs/dbraw/zinc/42/81/83/417428183.db2.gz RKGHLEUOLRIFOY-MRXNPFEDSA-N 1 3 312.502 0.447 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000627344671 417364219 /nfs/dbraw/zinc/36/42/19/417364219.db2.gz MQSRKBBRSTZIPX-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415372509 417375155 /nfs/dbraw/zinc/37/51/55/417375155.db2.gz VIHMYARRJPVZAG-UHFFFAOYSA-N 1 3 306.410 0.721 20 0 DCADHO C[NH2+]CCOCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000638577612 417493047 /nfs/dbraw/zinc/49/30/47/417493047.db2.gz ABPXMKOWMBILFE-UHFFFAOYSA-N 1 3 313.442 0.374 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638418178 417448861 /nfs/dbraw/zinc/44/88/61/417448861.db2.gz NWBXLWTVAGEDRQ-CKDBGZEDSA-N 1 3 302.422 0.395 20 0 DCADHO Cc1cc(NC(=O)CCNCCC[NH+]2CCC(O)CC2)no1 ZINC000572404770 417459232 /nfs/dbraw/zinc/45/92/32/417459232.db2.gz WPCMRXMRRUZZIN-UHFFFAOYSA-N 1 3 310.398 0.748 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000638526165 417481582 /nfs/dbraw/zinc/48/15/82/417481582.db2.gz GDELPAWIJJVDDE-ZDUSSCGKSA-N 1 3 318.421 0.916 20 0 DCADHO NC(C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000638783546 417555680 /nfs/dbraw/zinc/55/56/80/417555680.db2.gz NBSLKFPWGLXXRE-MNOVXSKESA-N 1 3 309.332 0.493 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000575043901 417503149 /nfs/dbraw/zinc/50/31/49/417503149.db2.gz YHOIDACIPWCURU-SJORKVTESA-N 1 3 319.449 0.938 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000639024682 417606422 /nfs/dbraw/zinc/60/64/22/417606422.db2.gz WJRYDODAGZECDP-HIFRSBDPSA-N 1 3 305.426 0.659 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NCc1cccc2c1CC[NH2+]C2 ZINC000638841162 417566340 /nfs/dbraw/zinc/56/63/40/417566340.db2.gz PQMVIIUXKBNLPR-OAHLLOKOSA-N 1 3 303.406 0.717 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000576569876 417617995 /nfs/dbraw/zinc/61/79/95/417617995.db2.gz CMPYZMHCBLYQRA-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CC1 ZINC000644562060 417618718 /nfs/dbraw/zinc/61/87/18/417618718.db2.gz RGLMBLFTYQPJKU-GOEBONIOSA-N 1 3 307.442 0.002 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000639217283 417639550 /nfs/dbraw/zinc/63/95/50/417639550.db2.gz DLNCQXJEEFUDNW-INIZCTEOSA-N 1 3 313.486 0.658 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CCCCN2CCO)CC1 ZINC000639217283 417639555 /nfs/dbraw/zinc/63/95/55/417639555.db2.gz DLNCQXJEEFUDNW-INIZCTEOSA-N 1 3 313.486 0.658 20 0 DCADHO C[C@@H]1CN(C[C@H]2CCc3ncnn32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000639553084 417692869 /nfs/dbraw/zinc/69/28/69/417692869.db2.gz KILHNWKXYNBSKP-OAGGEKHMSA-N 1 3 318.469 0.723 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635810645 417765746 /nfs/dbraw/zinc/76/57/46/417765746.db2.gz BSPSQBBQLRZUTG-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635810645 417765749 /nfs/dbraw/zinc/76/57/49/417765749.db2.gz BSPSQBBQLRZUTG-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000457383759 417706225 /nfs/dbraw/zinc/70/62/25/417706225.db2.gz GFLAJMIGRBEHMS-AWEZNQCLSA-N 1 3 300.447 0.474 20 0 DCADHO O[C@@H](Cn1cccn1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682966 417715844 /nfs/dbraw/zinc/71/58/44/417715844.db2.gz NYOGFLSGAIMXGW-MRXNPFEDSA-N 1 3 301.394 0.851 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458100641 417721131 /nfs/dbraw/zinc/72/11/31/417721131.db2.gz VFXWHBMDYCNRMH-KBPBESRZSA-N 1 3 300.447 0.473 20 0 DCADHO CN1CCN(CCCCNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000645478214 417746077 /nfs/dbraw/zinc/74/60/77/417746077.db2.gz YJKGMNLGPIDFBF-UHFFFAOYSA-N 1 3 310.486 0.910 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983173 417774248 /nfs/dbraw/zinc/77/42/48/417774248.db2.gz DDSVSNRYOLGKPG-MRXNPFEDSA-N 1 3 313.486 0.876 20 0 DCADHO CCC1([NH+](C)C)CCN(C[C@H](O)CN(C)CCOC)CC1 ZINC000640016253 417777728 /nfs/dbraw/zinc/77/77/28/417777728.db2.gz WIVMNMLSFVSOJQ-OAHLLOKOSA-N 1 3 301.475 0.732 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCC1CC[NH2+]CC1 ZINC000662658754 417838629 /nfs/dbraw/zinc/83/86/29/417838629.db2.gz DFYNPTQEOIMBBA-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CN(C)CCOCCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662536782 417799408 /nfs/dbraw/zinc/79/94/08/417799408.db2.gz ZWJJYULMZBSSAE-UHFFFAOYSA-N 1 3 310.398 0.450 20 0 DCADHO [NH3+]CC1(CCNC(=O)NCCCNCc2cccnc2)CC1 ZINC000652204301 417862460 /nfs/dbraw/zinc/86/24/60/417862460.db2.gz NCALKTCDODDBDM-UHFFFAOYSA-N 1 3 305.426 0.990 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662708615 417863886 /nfs/dbraw/zinc/86/38/86/417863886.db2.gz NWPTZIGUPFTLFJ-BZUAXINKSA-N 1 3 307.438 0.887 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662713207 417866815 /nfs/dbraw/zinc/86/68/15/417866815.db2.gz VTHLUKOEVFHRIF-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@]1(CNC(=O)N(C)CCN2CCCCC2)CCC[NH2+]1 ZINC000652218862 417867336 /nfs/dbraw/zinc/86/73/36/417867336.db2.gz FWXWJJJHOPDSJO-INIZCTEOSA-N 1 3 312.458 0.882 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)N2CCOC3(CNC3)C2)c(F)c1 ZINC000652269092 417877713 /nfs/dbraw/zinc/87/77/13/417877713.db2.gz XXWFMAWZTMSGBW-UHFFFAOYSA-N 1 3 308.357 0.168 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000652285610 417878914 /nfs/dbraw/zinc/87/89/14/417878914.db2.gz AYCRBKOZGPRLHA-UHFFFAOYSA-N 1 3 320.437 0.662 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000662748549 417885443 /nfs/dbraw/zinc/88/54/43/417885443.db2.gz AVJIEOJKDAYKLM-VXGBXAGGSA-N 1 3 307.398 0.555 20 0 DCADHO C[C@H](CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)CS(C)(=O)=O ZINC000652348990 417887687 /nfs/dbraw/zinc/88/76/87/417887687.db2.gz YCCWTNTXDIJLSV-CBBWQLFWSA-N 1 3 318.483 0.885 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)C1 ZINC000652345852 417888525 /nfs/dbraw/zinc/88/85/25/417888525.db2.gz NSENVJVDQMGUJW-RBSFLKMASA-N 1 3 311.426 0.064 20 0 DCADHO Cn1cc(CNCC2CC[NH+](CC3CC3)CC2)c(=O)n(C)c1=O ZINC000657812551 417905915 /nfs/dbraw/zinc/90/59/15/417905915.db2.gz SHKXLHVGTPBBEI-UHFFFAOYSA-N 1 3 320.437 0.296 20 0 DCADHO O=C(NC[C@@H]1CCN(C2CC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646419086 417845335 /nfs/dbraw/zinc/84/53/35/417845335.db2.gz MHQCZEZPWQROCN-QWHCGFSZSA-N 1 3 318.425 0.244 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000646002835 417845963 /nfs/dbraw/zinc/84/59/63/417845963.db2.gz HAYRUWHRQMWBOK-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005891 417976097 /nfs/dbraw/zinc/97/60/97/417976097.db2.gz ZKECPTVVWGDIRM-ZBFHGGJFSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005891 417976101 /nfs/dbraw/zinc/97/61/01/417976101.db2.gz ZKECPTVVWGDIRM-ZBFHGGJFSA-N 1 3 324.469 0.324 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000647053931 417978097 /nfs/dbraw/zinc/97/80/97/417978097.db2.gz YTMPDVJCBVGJHY-WCVJEAGWSA-N 1 3 300.406 0.628 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)c1cccc2c1CCNC2 ZINC000662858562 417927727 /nfs/dbraw/zinc/92/77/27/417927727.db2.gz YTTACMJELOOMPA-UHFFFAOYSA-N 1 3 318.465 0.946 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662859503 417928387 /nfs/dbraw/zinc/92/83/87/417928387.db2.gz NNEFOWCYDGFSSF-NCOADZHNSA-N 1 3 315.417 0.335 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)C1CC[NH2+]CC1 ZINC000662859733 417929606 /nfs/dbraw/zinc/92/96/06/417929606.db2.gz NWKOJPGQQBCVGR-QGZVFWFLSA-N 1 3 317.433 0.869 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860396 417930356 /nfs/dbraw/zinc/93/03/56/417930356.db2.gz RMPHXEZNMPBYAP-IXDOHACOSA-N 1 3 317.433 0.997 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662876775 417935058 /nfs/dbraw/zinc/93/50/58/417935058.db2.gz BMVGBMAMJQFUPQ-CJNGLKHVSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662876775 417935064 /nfs/dbraw/zinc/93/50/64/417935064.db2.gz BMVGBMAMJQFUPQ-CJNGLKHVSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652674672 417940946 /nfs/dbraw/zinc/94/09/46/417940946.db2.gz DBWDQEQSUCVXHQ-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652675143 417941037 /nfs/dbraw/zinc/94/10/37/417941037.db2.gz OWJYNICUBGFWJO-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000652694903 417946419 /nfs/dbraw/zinc/94/64/19/417946419.db2.gz JPZDYOOHJQJMGE-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652711509 417951890 /nfs/dbraw/zinc/95/18/90/417951890.db2.gz UASHNWBQKGUIBR-CYBMUJFWSA-N 1 3 310.442 0.032 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000662929447 417955481 /nfs/dbraw/zinc/95/54/81/417955481.db2.gz AQDPULSNYDAGEK-XOYHFGRZSA-N 1 3 320.437 0.023 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)CCN1C ZINC000652725173 417956876 /nfs/dbraw/zinc/95/68/76/417956876.db2.gz ZYIURZFQRFCXQJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652731186 417958986 /nfs/dbraw/zinc/95/89/86/417958986.db2.gz CXXNSNIBNJHLPG-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000652737847 417962355 /nfs/dbraw/zinc/96/23/55/417962355.db2.gz WSKIQFXYSPMKBH-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1c[nH]nc1-c1cccnc1 ZINC000647493342 418014747 /nfs/dbraw/zinc/01/47/47/418014747.db2.gz GHWJNBSDALCPDG-UHFFFAOYSA-N 1 3 300.410 0.809 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000653108670 418028422 /nfs/dbraw/zinc/02/84/22/418028422.db2.gz DIEGBQMYFAHQME-MRXNPFEDSA-N 1 3 322.453 0.522 20 0 DCADHO CN(C)C1(CNC(=O)[C@@H](N)CC[NH+](C)C)Cc2ccccc2C1 ZINC000653121510 418032974 /nfs/dbraw/zinc/03/29/74/418032974.db2.gz XDQJHDQJROQFAF-INIZCTEOSA-N 1 3 318.465 0.481 20 0 DCADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H]1c1ccccc1F ZINC000653164453 418040311 /nfs/dbraw/zinc/04/03/11/418040311.db2.gz MJJSCENDORLKTQ-CQPIRRRNSA-N 1 3 319.380 0.315 20 0 DCADHO NC[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000647078592 417982910 /nfs/dbraw/zinc/98/29/10/417982910.db2.gz HHHFLRVNLOHTSA-HOTGVXAUSA-N 1 3 317.433 0.943 20 0 DCADHO CC[C@@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000647090610 417987028 /nfs/dbraw/zinc/98/70/28/417987028.db2.gz CAYCXNMSSKSQHA-OAHLLOKOSA-N 1 3 304.438 0.833 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659512793 418109584 /nfs/dbraw/zinc/10/95/84/418109584.db2.gz WJMXSDSEETUMAX-HIFRSBDPSA-N 1 3 310.442 0.539 20 0 DCADHO COCCNCCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659527825 418112051 /nfs/dbraw/zinc/11/20/51/418112051.db2.gz OBJWKXMPBHPGBZ-HNNXBMFYSA-N 1 3 312.458 0.644 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NCC1C[NH2+]C1 ZINC000659526788 418112161 /nfs/dbraw/zinc/11/21/61/418112161.db2.gz FSWPIEHCDPJPSQ-INIZCTEOSA-N 1 3 318.421 0.272 20 0 DCADHO [NH3+]C/C=C/CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659544793 418116462 /nfs/dbraw/zinc/11/64/62/418116462.db2.gz XGVCPZZMOIIMKB-XGBNDESESA-N 1 3 318.421 0.567 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663794043 418058129 /nfs/dbraw/zinc/05/81/29/418058129.db2.gz VHTQSADCGMOYEM-QPSCCSFWSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663794043 418058132 /nfs/dbraw/zinc/05/81/32/418058132.db2.gz VHTQSADCGMOYEM-QPSCCSFWSA-N 1 3 312.458 0.423 20 0 DCADHO [NH3+]CC1(CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000659559489 418118943 /nfs/dbraw/zinc/11/89/43/418118943.db2.gz NNDRWASCVORLKL-CQSZACIVSA-N 1 3 310.442 0.668 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659441127 418097895 /nfs/dbraw/zinc/09/78/95/418097895.db2.gz BJOCJWXVXSFGNB-LLVKDONJSA-N 1 3 322.413 0.172 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659441127 418097898 /nfs/dbraw/zinc/09/78/98/418097898.db2.gz BJOCJWXVXSFGNB-LLVKDONJSA-N 1 3 322.413 0.172 20 0 DCADHO COCCCN1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659448346 418098406 /nfs/dbraw/zinc/09/84/06/418098406.db2.gz CHMKBNPENBDWHG-UHFFFAOYSA-N 1 3 310.442 0.539 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659469481 418102315 /nfs/dbraw/zinc/10/23/15/418102315.db2.gz OAPHXGYTWROBBC-LLVKDONJSA-N 1 3 322.413 0.315 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659628413 418131058 /nfs/dbraw/zinc/13/10/58/418131058.db2.gz CMGZPFUCLFKSLS-LLVKDONJSA-N 1 3 310.402 0.156 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659629147 418131362 /nfs/dbraw/zinc/13/13/62/418131362.db2.gz NRMRZIYXOVJWDJ-JTQLQIEISA-N 1 3 322.413 0.313 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659629147 418131367 /nfs/dbraw/zinc/13/13/67/418131367.db2.gz NRMRZIYXOVJWDJ-JTQLQIEISA-N 1 3 322.413 0.313 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCOC2(CNC2)C1 ZINC000659640752 418135175 /nfs/dbraw/zinc/13/51/75/418135175.db2.gz JBUMHRHADYBSNN-UHFFFAOYSA-N 1 3 322.453 0.492 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000654388940 418138830 /nfs/dbraw/zinc/13/88/30/418138830.db2.gz ZFGKVEZMOCMNEO-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccn(C)n1 ZINC000664663243 418143364 /nfs/dbraw/zinc/14/33/64/418143364.db2.gz DVRPNALBWOHFTD-AWEZNQCLSA-N 1 3 324.473 0.534 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccn(C)n1 ZINC000664663243 418143367 /nfs/dbraw/zinc/14/33/67/418143367.db2.gz DVRPNALBWOHFTD-AWEZNQCLSA-N 1 3 324.473 0.534 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654437844 418144755 /nfs/dbraw/zinc/14/47/55/418144755.db2.gz XPBRKQPBQBTZEW-SOUVJXGZSA-N 1 3 312.458 0.737 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659684255 418145998 /nfs/dbraw/zinc/14/59/98/418145998.db2.gz GVCBHNSDSAJCID-XOYHFGRZSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659695457 418149414 /nfs/dbraw/zinc/14/94/14/418149414.db2.gz XVPYOTLEHRNXEL-UXOAXIEHSA-N 1 3 322.453 0.171 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000659699534 418151512 /nfs/dbraw/zinc/15/15/12/418151512.db2.gz WLEQOYHEOISBFV-CQSZACIVSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000659709319 418156112 /nfs/dbraw/zinc/15/61/12/418156112.db2.gz HDDDBOAWLBXQJK-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659720458 418161099 /nfs/dbraw/zinc/16/10/99/418161099.db2.gz SXPWPPBNBWXZDL-LBPRGKRZSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000659723442 418164090 /nfs/dbraw/zinc/16/40/90/418164090.db2.gz MSVXNKMATHCDNW-DYVFJYSZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659726110 418164724 /nfs/dbraw/zinc/16/47/24/418164724.db2.gz BWJVCUNFLVVXRH-IHRRRGAJSA-N 1 3 324.469 0.752 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659735489 418169534 /nfs/dbraw/zinc/16/95/34/418169534.db2.gz GQGVJVMOYXLZHN-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649321595 418236854 /nfs/dbraw/zinc/23/68/54/418236854.db2.gz FHNZQTBDBVDVIQ-FVQHAEBGSA-N 1 3 317.433 0.751 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000649336539 418242198 /nfs/dbraw/zinc/24/21/98/418242198.db2.gz BSGLEUYVIMWGCW-YCPHGPKFSA-N 1 3 309.454 0.992 20 0 DCADHO O=C(CCN1CCN(c2cc[nH+]cc2)CC1)N1CCNCC1 ZINC000649414710 418252129 /nfs/dbraw/zinc/25/21/29/418252129.db2.gz RXZLHDKKVOUKPF-UHFFFAOYSA-N 1 3 303.410 0.026 20 0 DCADHO CC[NH+](CC)CC1CCN(CCN2C(=O)CN(C)C2=O)CC1 ZINC000659842716 418189946 /nfs/dbraw/zinc/18/99/46/418189946.db2.gz DTPSFZJTTXRCLT-UHFFFAOYSA-N 1 3 310.442 0.934 20 0 DCADHO Cc1cc(C)n(CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000649417197 418254067 /nfs/dbraw/zinc/25/40/67/418254067.db2.gz AIBHUWWPDIORCZ-OAHLLOKOSA-N 1 3 307.442 0.819 20 0 DCADHO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C(F)(F)F ZINC000655925874 418302424 /nfs/dbraw/zinc/30/24/24/418302424.db2.gz GEMFLJXBMUAZPZ-NXEZZACHSA-N 1 3 312.336 0.022 20 0 DCADHO CN(CC1CN(C)C1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000661131570 418317098 /nfs/dbraw/zinc/31/70/98/418317098.db2.gz WAOGOLYFKBKHLD-UHFFFAOYSA-N 1 3 311.474 0.215 20 0 DCADHO CN(CC1CN(C)C1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000661131570 418317100 /nfs/dbraw/zinc/31/71/00/418317100.db2.gz WAOGOLYFKBKHLD-UHFFFAOYSA-N 1 3 311.474 0.215 20 0 DCADHO CN(CC1CN(C)C1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000661131570 418317101 /nfs/dbraw/zinc/31/71/01/418317101.db2.gz WAOGOLYFKBKHLD-UHFFFAOYSA-N 1 3 311.474 0.215 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656027516 418321622 /nfs/dbraw/zinc/32/16/22/418321622.db2.gz CGDFUHPWPBBRNO-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000660476180 418261937 /nfs/dbraw/zinc/26/19/37/418261937.db2.gz XQJNCIOEKORPED-SJORKVTESA-N 1 3 311.470 0.628 20 0 DCADHO CN(C[C@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000660476180 418261939 /nfs/dbraw/zinc/26/19/39/418261939.db2.gz XQJNCIOEKORPED-SJORKVTESA-N 1 3 311.470 0.628 20 0 DCADHO C[N@H+](C[C@H](O)CN1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000660476180 418261941 /nfs/dbraw/zinc/26/19/41/418261941.db2.gz XQJNCIOEKORPED-SJORKVTESA-N 1 3 311.470 0.628 20 0 DCADHO C[N@@H+](C[C@H](O)CN1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000660476180 418261944 /nfs/dbraw/zinc/26/19/44/418261944.db2.gz XQJNCIOEKORPED-SJORKVTESA-N 1 3 311.470 0.628 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000660664135 418278821 /nfs/dbraw/zinc/27/88/21/418278821.db2.gz QEBIRHRACUXKRA-LSDHHAIUSA-N 1 3 315.483 0.686 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000660664135 418278822 /nfs/dbraw/zinc/27/88/22/418278822.db2.gz QEBIRHRACUXKRA-LSDHHAIUSA-N 1 3 315.483 0.686 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]1NCc2ccccc21 ZINC000662411629 418408506 /nfs/dbraw/zinc/40/85/06/418408506.db2.gz DYTJSCAUFCGFAU-MRXNPFEDSA-N 1 3 302.422 0.585 20 0 DCADHO CN(C)CCOCCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000471634163 287517171 /nfs/dbraw/zinc/51/71/71/287517171.db2.gz FAYSIUFWZYGZIX-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000237147587 261158730 /nfs/dbraw/zinc/15/87/30/261158730.db2.gz PBZPUSHWBRCWIO-AWEZNQCLSA-N 1 3 318.421 0.755 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](N3CCCC3)C2)C[C@H](C)O1 ZINC000303976917 261173778 /nfs/dbraw/zinc/17/37/78/261173778.db2.gz CKWFPLQGUGKFLF-YYIAUSFCSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](N3CCCC3)C2)C[C@H](C)O1 ZINC000303976917 261173780 /nfs/dbraw/zinc/17/37/80/261173780.db2.gz CKWFPLQGUGKFLF-YYIAUSFCSA-N 1 3 311.470 0.627 20 0 DCADHO Cc1ccncc1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000354347847 261207074 /nfs/dbraw/zinc/20/70/74/261207074.db2.gz LHUQTGCPGMBXSU-UHFFFAOYSA-N 1 3 306.454 0.870 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354664978 261253404 /nfs/dbraw/zinc/25/34/04/261253404.db2.gz NRGNFLSIJJJWNQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000354903386 261284508 /nfs/dbraw/zinc/28/45/08/261284508.db2.gz WANGJLGKEMTUON-CYBMUJFWSA-N 1 3 323.441 0.771 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2C)CCN1C1CC[NH+](C)CC1 ZINC000354946075 261291156 /nfs/dbraw/zinc/29/11/56/261291156.db2.gz AJBRLCZZIJTDOJ-HOCLYGCPSA-N 1 3 308.470 0.708 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000355318069 261329807 /nfs/dbraw/zinc/32/98/07/261329807.db2.gz NDFJOOFTXXFSMF-MGPQQGTHSA-N 1 3 314.474 0.630 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1C ZINC000355884317 261373250 /nfs/dbraw/zinc/37/32/50/261373250.db2.gz WKBLOTQKJPYMFG-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362771360 262071488 /nfs/dbraw/zinc/07/14/88/262071488.db2.gz YDWYMVOJTTUKGY-CVEARBPZSA-N 1 3 310.486 0.718 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362771360 262071490 /nfs/dbraw/zinc/07/14/90/262071490.db2.gz YDWYMVOJTTUKGY-CVEARBPZSA-N 1 3 310.486 0.718 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362970824 262090817 /nfs/dbraw/zinc/09/08/17/262090817.db2.gz OKLPGEBWQRCHIF-ZJIFWQFVSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000362970824 262090818 /nfs/dbraw/zinc/09/08/18/262090818.db2.gz OKLPGEBWQRCHIF-ZJIFWQFVSA-N 1 3 322.453 0.776 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CC1 ZINC000362971329 262091025 /nfs/dbraw/zinc/09/10/25/262091025.db2.gz SJPMSYQSBIMHMM-LSDHHAIUSA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CC1 ZINC000362971329 262091027 /nfs/dbraw/zinc/09/10/27/262091027.db2.gz SJPMSYQSBIMHMM-LSDHHAIUSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]1C[NH+](CC2CCN(CCN3CCNC3=O)CC2)C[C@H](C)O1 ZINC000368005831 262144605 /nfs/dbraw/zinc/14/46/05/262144605.db2.gz KPKKZDXJQFVCHH-GJZGRUSLSA-N 1 3 324.469 0.833 20 0 DCADHO COC[C@@]1(CNC(=O)N[C@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000417025561 262244016 /nfs/dbraw/zinc/24/40/16/262244016.db2.gz MZQODGINPJINGD-ZBFHGGJFSA-N 1 3 312.458 0.929 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417302542 262250143 /nfs/dbraw/zinc/25/01/43/262250143.db2.gz WVBZDMHMROWIEI-ZIAGYGMSSA-N 1 3 312.458 0.866 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@H]2C)CC1 ZINC000417441538 262252375 /nfs/dbraw/zinc/25/23/75/262252375.db2.gz QJQOJECJQACQMY-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000417438646 262252385 /nfs/dbraw/zinc/25/23/85/262252385.db2.gz JZUJKCDNTHDSEL-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)C1(CNC(=O)N(CC[NH3+])CCO)Cc2ccccc2C1 ZINC000417741060 262260142 /nfs/dbraw/zinc/26/01/42/262260142.db2.gz SUXRXHVADAIMOO-UHFFFAOYSA-N 1 3 320.437 0.048 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000417749323 262260350 /nfs/dbraw/zinc/26/03/50/262260350.db2.gz JKATVVUATICDLO-CABCVRRESA-N 1 3 313.490 0.543 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCSC1 ZINC000417823051 262262797 /nfs/dbraw/zinc/26/27/97/262262797.db2.gz JGFDUQLJJAQSAW-BZPMIXESSA-N 1 3 300.472 0.850 20 0 DCADHO C[NH2+]CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418069778 262269323 /nfs/dbraw/zinc/26/93/23/262269323.db2.gz GANKTPKDWSKIKO-MRXNPFEDSA-N 1 3 320.437 0.796 20 0 DCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC[NH3+] ZINC000418310951 262274157 /nfs/dbraw/zinc/27/41/57/262274157.db2.gz ZLTZZDHGHOAPSD-UHFFFAOYSA-N 1 3 300.353 0.997 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)NCCNCCOC)CC1 ZINC000418505026 262279881 /nfs/dbraw/zinc/27/98/81/262279881.db2.gz DEEXOBKPQKSJFF-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418516517 262280474 /nfs/dbraw/zinc/28/04/74/262280474.db2.gz SOFVJAVKNLAUPY-RDBSUJKOSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@@]1(CNC(=O)NC[C@H]2CCCN2CCCO)CCC[NH2+]C1 ZINC000418546206 262282446 /nfs/dbraw/zinc/28/24/46/262282446.db2.gz QKVJTQHMQFMYAX-GDBMZVCRSA-N 1 3 312.458 0.522 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418574485 262282872 /nfs/dbraw/zinc/28/28/72/262282872.db2.gz MBQOOJDSILSSHD-CABCVRRESA-N 1 3 312.458 0.521 20 0 DCADHO CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418678427 262285837 /nfs/dbraw/zinc/28/58/37/262285837.db2.gz CJIPXALFPIASRI-UXLLHSPISA-N 1 3 320.437 0.354 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418803450 262291112 /nfs/dbraw/zinc/29/11/12/262291112.db2.gz WHADASAEPOEDKC-UMVBOHGHSA-N 1 3 303.410 0.603 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](CCC)CC1 ZINC000418917243 262297538 /nfs/dbraw/zinc/29/75/38/262297538.db2.gz SXTJVMCZAGPVJB-AWEZNQCLSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419019831 262305207 /nfs/dbraw/zinc/30/52/07/262305207.db2.gz DZIRGYNBPWJFTI-LJISPDSOSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419085398 262307958 /nfs/dbraw/zinc/30/79/58/262307958.db2.gz ZSKXUBZABNHUTA-YMAMQOFZSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419083255 262307963 /nfs/dbraw/zinc/30/79/63/262307963.db2.gz VZZVPVCCSOLDHP-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000419096003 262308894 /nfs/dbraw/zinc/30/88/94/262308894.db2.gz BOXVWURBQLPXTF-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419097366 262309562 /nfs/dbraw/zinc/30/95/62/262309562.db2.gz DWUMQSLCHBYXDJ-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000419154656 262314167 /nfs/dbraw/zinc/31/41/67/262314167.db2.gz QGDKWXSTBZKCCB-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000419154656 262314169 /nfs/dbraw/zinc/31/41/69/262314169.db2.gz QGDKWXSTBZKCCB-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000419169895 262316352 /nfs/dbraw/zinc/31/63/52/262316352.db2.gz MVHYUNMGIHLQJH-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419170131 262316723 /nfs/dbraw/zinc/31/67/23/262316723.db2.gz NEDOAQMQFFVROQ-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N[C@@H](C)CN)[N@H+](C)Cc1ccccc1 ZINC000419198206 262318640 /nfs/dbraw/zinc/31/86/40/262318640.db2.gz KONCVXWWZHUDSX-UONOGXRCSA-N 1 3 320.437 0.477 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N[C@@H](C)CN)[N@@H+](C)Cc1ccccc1 ZINC000419198206 262318641 /nfs/dbraw/zinc/31/86/41/262318641.db2.gz KONCVXWWZHUDSX-UONOGXRCSA-N 1 3 320.437 0.477 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419222683 262320251 /nfs/dbraw/zinc/32/02/51/262320251.db2.gz BVTZUWIABNWSJG-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419407261 262330483 /nfs/dbraw/zinc/33/04/83/262330483.db2.gz JYIHWZIPYMCYSO-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000419412497 262331741 /nfs/dbraw/zinc/33/17/41/262331741.db2.gz QXWIYMPZTSWPIM-HUUCEWRRSA-N 1 3 324.469 0.278 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419502391 262336327 /nfs/dbraw/zinc/33/63/27/262336327.db2.gz CYGFLNVGHVUWQG-KGLIPLIRSA-N 1 3 314.474 0.665 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419596365 262339768 /nfs/dbraw/zinc/33/97/68/262339768.db2.gz XZFOLVQMJPXQBB-ZNMIVQPWSA-N 1 3 324.469 0.705 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1CN)C1CCCC1 ZINC000419690501 262345018 /nfs/dbraw/zinc/34/50/18/262345018.db2.gz CMVVHPKFXBHWEP-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1CN)C1CCCC1 ZINC000419690501 262345020 /nfs/dbraw/zinc/34/50/20/262345020.db2.gz CMVVHPKFXBHWEP-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419693512 262345555 /nfs/dbraw/zinc/34/55/55/262345555.db2.gz JASBXGZVQSUHDB-OLZOCXBDSA-N 1 3 308.426 0.069 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419695632 262346491 /nfs/dbraw/zinc/34/64/91/262346491.db2.gz LERRWLMVOOMCAA-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699235 262347719 /nfs/dbraw/zinc/34/77/19/262347719.db2.gz VVMWVHZIFWTMQH-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419978086 262355366 /nfs/dbraw/zinc/35/53/66/262355366.db2.gz NQRBXMMKCSZQJN-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419991469 262356122 /nfs/dbraw/zinc/35/61/22/262356122.db2.gz BHSHBSHPZBDINR-LLVKDONJSA-N 1 3 312.439 0.102 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420055614 262357977 /nfs/dbraw/zinc/35/79/77/262357977.db2.gz AKOOUWYRKZIEGX-AWEZNQCLSA-N 1 3 310.442 0.173 20 0 DCADHO NC[C@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000420058830 262358128 /nfs/dbraw/zinc/35/81/28/262358128.db2.gz JDVOTGNZWSNPBE-HNNXBMFYSA-N 1 3 322.453 0.317 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422180560 262399920 /nfs/dbraw/zinc/39/99/20/262399920.db2.gz FMDZBWMQKPFTGZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000360897686 271163823 /nfs/dbraw/zinc/16/38/23/271163823.db2.gz NNXQQBAHRFAMBD-BZUAXINKSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418470740 271247699 /nfs/dbraw/zinc/24/76/99/271247699.db2.gz LPBLJAVSKAQUTJ-KBPBESRZSA-N 1 3 311.474 0.391 20 0 DCADHO C[C@H](CCC[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418713295 271250282 /nfs/dbraw/zinc/25/02/82/271250282.db2.gz WHQIFOCPNBYOCH-KGLIPLIRSA-N 1 3 300.447 0.506 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000418846154 271259333 /nfs/dbraw/zinc/25/93/33/271259333.db2.gz XEGCOEKOQVLHTK-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419028833 271267747 /nfs/dbraw/zinc/26/77/47/271267747.db2.gz QNXFSYYOQSVIHF-BARDWOONSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419030218 271268010 /nfs/dbraw/zinc/26/80/10/271268010.db2.gz SRVJIXUNAGFESL-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419042361 271269628 /nfs/dbraw/zinc/26/96/28/271269628.db2.gz HONFEUBAEYQUGU-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419032873 271269895 /nfs/dbraw/zinc/26/98/95/271269895.db2.gz XMWXMFXBCINJHV-LJISPDSOSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419033674 271269951 /nfs/dbraw/zinc/26/99/51/271269951.db2.gz YORVSKGFGTTZCI-BZPMIXESSA-N 1 3 310.442 0.077 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000419065543 271272619 /nfs/dbraw/zinc/27/26/19/271272619.db2.gz AHXSMILGYQOMFD-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419186339 271276585 /nfs/dbraw/zinc/27/65/85/271276585.db2.gz PWBSREQXRPCTDB-TZMCWYRMSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419186339 271276588 /nfs/dbraw/zinc/27/65/88/271276588.db2.gz PWBSREQXRPCTDB-TZMCWYRMSA-N 1 3 310.442 0.363 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419431249 271289991 /nfs/dbraw/zinc/28/99/91/271289991.db2.gz WXSTXKXNGYICSY-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419520970 271296878 /nfs/dbraw/zinc/29/68/78/271296878.db2.gz JEHVWYHRJHKREQ-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419703874 271322674 /nfs/dbraw/zinc/32/26/74/271322674.db2.gz XBKUERUXVLIYGW-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)C[NH+]1CCCC1 ZINC000419815209 271328251 /nfs/dbraw/zinc/32/82/51/271328251.db2.gz HPYVOOIVQYUQKO-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H](CN)C1CCCC1)C[NH+]1CCCC1 ZINC000419833021 271332483 /nfs/dbraw/zinc/33/24/83/271332483.db2.gz SEAXPLGVUCXUDP-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419908543 271342752 /nfs/dbraw/zinc/34/27/52/271342752.db2.gz YOVFKYNVJCIXBH-MELADBBJSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419932242 271344614 /nfs/dbraw/zinc/34/46/14/271344614.db2.gz FINQVBAGZXYRMJ-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419933329 271345791 /nfs/dbraw/zinc/34/57/91/271345791.db2.gz QKLFSKFXXWILIF-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000419946979 271347839 /nfs/dbraw/zinc/34/78/39/271347839.db2.gz BWBXUXGSQMOGCB-ZNMIVQPWSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000419946979 271347842 /nfs/dbraw/zinc/34/78/42/271347842.db2.gz BWBXUXGSQMOGCB-ZNMIVQPWSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420214293 271364264 /nfs/dbraw/zinc/36/42/64/271364264.db2.gz VGAFTJCWXCSXKT-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO CC(=O)N1CCN(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422866868 271390923 /nfs/dbraw/zinc/39/09/23/271390923.db2.gz RARNYQTYSXHLDZ-MAUKXSAKSA-N 1 3 318.465 0.699 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000424470183 271404797 /nfs/dbraw/zinc/40/47/97/271404797.db2.gz RCPNWVCJXVLFLL-UHFFFAOYSA-N 1 3 306.410 0.897 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489756559 272067107 /nfs/dbraw/zinc/06/71/07/272067107.db2.gz LBKFUQYRYLUUBG-ZIAGYGMSSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNC(=O)/C=C\C[NH+](C)C)N(C)C(=O)/C=C\CN(C)C ZINC000491873431 272108118 /nfs/dbraw/zinc/10/81/18/272108118.db2.gz TWTIJNZJCBYTBQ-OEDWOYBHSA-N 1 3 310.442 0.185 20 0 DCADHO C[C@H](CNC(=O)/C=C\CN(C)C)N(C)C(=O)/C=C\C[NH+](C)C ZINC000491873431 272108121 /nfs/dbraw/zinc/10/81/21/272108121.db2.gz TWTIJNZJCBYTBQ-OEDWOYBHSA-N 1 3 310.442 0.185 20 0 DCADHO CC[C@@]1(O)CCN(CCOCC[N@@H+]2CC[C@](O)(CC)C2)C1 ZINC000495228897 272242096 /nfs/dbraw/zinc/24/20/96/272242096.db2.gz MKUUYCPRBKPQJC-HZPDHXFCSA-N 1 3 300.443 0.697 20 0 DCADHO CC[C@@]1(O)CCN(CCOCC[N@H+]2CC[C@](O)(CC)C2)C1 ZINC000495228897 272242098 /nfs/dbraw/zinc/24/20/98/272242098.db2.gz MKUUYCPRBKPQJC-HZPDHXFCSA-N 1 3 300.443 0.697 20 0 DCADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)CN(C)C)CC1 ZINC000496889191 272351010 /nfs/dbraw/zinc/35/10/10/272351010.db2.gz AVBZGUQFORRZGV-GFCCVEGCSA-N 1 3 313.446 0.919 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCN(c3ccc4nncn4n3)CC2)CC[NH2+]1 ZINC000521833501 272539821 /nfs/dbraw/zinc/53/98/21/272539821.db2.gz LQQWYRSCLINMTO-KGLIPLIRSA-N 1 3 315.425 0.634 20 0 DCADHO CCN1CCN(CCC(=O)N2CCCC[C@H]2C[NH+](C)C)CC1 ZINC000525177865 272572053 /nfs/dbraw/zinc/57/20/53/272572053.db2.gz QHFFJCXENVNLFG-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418933545 276107059 /nfs/dbraw/zinc/10/70/59/276107059.db2.gz IKSXJZXHYLYIEV-ZQDZILKHSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000540011966 287900130 /nfs/dbraw/zinc/90/01/30/287900130.db2.gz CUIUIOWPFDCHDA-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332295509 278049423 /nfs/dbraw/zinc/04/94/23/278049423.db2.gz MDJOHZPEMJXYPZ-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419985435 278170792 /nfs/dbraw/zinc/17/07/92/278170792.db2.gz FHMVBKMWTIMSCT-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546591071 288019950 /nfs/dbraw/zinc/01/99/50/288019950.db2.gz UKZUTUWYFFOBHC-HOCLYGCPSA-N 1 3 312.458 0.617 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546591071 288019953 /nfs/dbraw/zinc/01/99/53/288019953.db2.gz UKZUTUWYFFOBHC-HOCLYGCPSA-N 1 3 312.458 0.617 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547297691 288036327 /nfs/dbraw/zinc/03/63/27/288036327.db2.gz NZWNHFUVJOTHMG-ZBFHGGJFSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547297691 288036328 /nfs/dbraw/zinc/03/63/28/288036328.db2.gz NZWNHFUVJOTHMG-ZBFHGGJFSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000419955190 279134575 /nfs/dbraw/zinc/13/45/75/279134575.db2.gz NHKQBVGYJLGNDT-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])C1CC1 ZINC000419501228 279189655 /nfs/dbraw/zinc/18/96/55/279189655.db2.gz AXUDCUQRKURXQJ-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000331377096 288114879 /nfs/dbraw/zinc/11/48/79/288114879.db2.gz HIRNWHLRZFAJBN-SNPRPXQTSA-N 1 3 322.453 0.138 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333139122 279270577 /nfs/dbraw/zinc/27/05/77/279270577.db2.gz CTNBIQKAKJZZNV-HZPDHXFCSA-N 1 3 323.485 0.550 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)N(C)C ZINC000125060313 280075723 /nfs/dbraw/zinc/07/57/23/280075723.db2.gz RWCGGZPSNYIWLO-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)N(C)C ZINC000125060313 280075724 /nfs/dbraw/zinc/07/57/24/280075724.db2.gz RWCGGZPSNYIWLO-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@H+](C[C@H](O)CN[C@H]1CCCC[C@H]1N1CCOCC1)C1CC1 ZINC000554939671 288341563 /nfs/dbraw/zinc/34/15/63/288341563.db2.gz IZPKYYQGZXQVMI-IXDOHACOSA-N 1 3 311.470 0.675 20 0 DCADHO C[N@@H+](C[C@H](O)CN[C@H]1CCCC[C@H]1N1CCOCC1)C1CC1 ZINC000554939671 288341565 /nfs/dbraw/zinc/34/15/65/288341565.db2.gz IZPKYYQGZXQVMI-IXDOHACOSA-N 1 3 311.470 0.675 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000564934870 288792031 /nfs/dbraw/zinc/79/20/31/288792031.db2.gz LLPWUCRYMLTHNW-DOMZBBRYSA-N 1 3 306.410 0.697 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC001650169291 1173494766 /nfs/dbraw/zinc/49/47/66/1173494766.db2.gz HZGDUFWEBIOLAT-CYBMUJFWSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000570224506 332727585 /nfs/dbraw/zinc/72/75/85/332727585.db2.gz ACWXXKVJVDSUHK-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000580308524 333090220 /nfs/dbraw/zinc/09/02/20/333090220.db2.gz JELFLLPGBUKSOW-DLBZAZTESA-N 1 3 319.449 0.765 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000583699330 337083580 /nfs/dbraw/zinc/08/35/80/337083580.db2.gz OALMKQMBVGTRIS-HNNXBMFYSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000582660062 337117126 /nfs/dbraw/zinc/11/71/26/337117126.db2.gz SNFGILNDUUAQBV-KRWDZBQOSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(C)C(=O)CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000178300592 341951025 /nfs/dbraw/zinc/95/10/25/341951025.db2.gz NUUCLARKSXINFE-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCn1cccn1 ZINC001568176474 1160592372 /nfs/dbraw/zinc/59/23/72/1160592372.db2.gz VLNJGPNPULAUEB-CQSZACIVSA-N 1 3 307.442 0.709 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001568849875 1160814926 /nfs/dbraw/zinc/81/49/26/1160814926.db2.gz BJQHFZUWXLAMTK-LAWSMPECSA-N 1 3 310.442 0.385 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001568849875 1160814934 /nfs/dbraw/zinc/81/49/34/1160814934.db2.gz BJQHFZUWXLAMTK-LAWSMPECSA-N 1 3 310.442 0.385 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[NH2+]CC3CC3)C2)CC1 ZINC000364852455 519682988 /nfs/dbraw/zinc/68/29/88/519682988.db2.gz VBJCXGCXCKZPJV-MRXNPFEDSA-N 1 3 308.470 0.613 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000366297861 521721526 /nfs/dbraw/zinc/72/15/26/521721526.db2.gz DKZGUJQMHORUIM-KSZLIROESA-N 1 3 324.513 0.713 20 0 DCADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000366297861 521721528 /nfs/dbraw/zinc/72/15/28/521721528.db2.gz DKZGUJQMHORUIM-KSZLIROESA-N 1 3 324.513 0.713 20 0 DCADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000366297861 521721529 /nfs/dbraw/zinc/72/15/29/521721529.db2.gz DKZGUJQMHORUIM-KSZLIROESA-N 1 3 324.513 0.713 20 0 DCADHO CC[C@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000236914620 522328722 /nfs/dbraw/zinc/32/87/22/522328722.db2.gz POUIGWNNEOUGDN-ZDUSSCGKSA-N 1 3 309.410 0.989 20 0 DCADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369048732 524048611 /nfs/dbraw/zinc/04/86/11/524048611.db2.gz XJCPAGSNBUSITI-JKSUJKDBSA-N 1 3 324.469 0.833 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000295029731 529036616 /nfs/dbraw/zinc/03/66/16/529036616.db2.gz NTCCKZJCADLHLZ-INIZCTEOSA-N 1 3 320.437 0.464 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000411019814 529058158 /nfs/dbraw/zinc/05/81/58/529058158.db2.gz FVIWCSGPZHZXLB-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000411019814 529058162 /nfs/dbraw/zinc/05/81/62/529058162.db2.gz FVIWCSGPZHZXLB-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(=O)[nH]n1 ZINC000299708198 529098448 /nfs/dbraw/zinc/09/84/48/529098448.db2.gz HNLDFQZXERMRNA-ZDUSSCGKSA-N 1 3 321.425 0.258 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(=O)[nH]n1 ZINC000299708198 529098450 /nfs/dbraw/zinc/09/84/50/529098450.db2.gz HNLDFQZXERMRNA-ZDUSSCGKSA-N 1 3 321.425 0.258 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000420086001 535184400 /nfs/dbraw/zinc/18/44/00/535184400.db2.gz YBFKPFUMEYRAIF-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000423553577 536469892 /nfs/dbraw/zinc/46/98/92/536469892.db2.gz DFEXFTPXZMELJQ-HNNXBMFYSA-N 1 3 318.421 0.897 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000251292196 545974318 /nfs/dbraw/zinc/97/43/18/545974318.db2.gz GKKXOZRGVMSMNP-KGLIPLIRSA-N 1 3 305.488 0.963 20 0 DCADHO CN(CCCNC(=O)c1cn(CC[NH3+])nn1)Cc1ccccc1 ZINC000303208625 546017265 /nfs/dbraw/zinc/01/72/65/546017265.db2.gz YWCGZKFYYKBAAD-UHFFFAOYSA-N 1 3 316.409 0.489 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000333358132 546078671 /nfs/dbraw/zinc/07/86/71/546078671.db2.gz KRIDMLCIIQZZNJ-OUCADQQQSA-N 1 3 300.472 0.863 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000343003620 546128387 /nfs/dbraw/zinc/12/83/87/546128387.db2.gz CQXPYKMVFYVZBP-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000458026720 546264932 /nfs/dbraw/zinc/26/49/32/546264932.db2.gz YUILMLCJFPVJIL-CABCVRRESA-N 1 3 314.474 0.863 20 0 DCADHO C[C@H](O)C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760270 546396070 /nfs/dbraw/zinc/39/60/70/546396070.db2.gz DUPIKHFXFJYUAK-IHRRRGAJSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@H](O)C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760270 546396076 /nfs/dbraw/zinc/39/60/76/546396076.db2.gz DUPIKHFXFJYUAK-IHRRRGAJSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000665763464 546397690 /nfs/dbraw/zinc/39/76/90/546397690.db2.gz BKDSMNFTVYUPNP-RRFJBIMHSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](O)[C@H]1C ZINC000665763464 546397693 /nfs/dbraw/zinc/39/76/93/546397693.db2.gz BKDSMNFTVYUPNP-RRFJBIMHSA-N 1 3 314.474 0.813 20 0 DCADHO CCN(CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1)C1CC1 ZINC000666804615 546513359 /nfs/dbraw/zinc/51/33/59/546513359.db2.gz WUVPMWMBMXMWOE-UHFFFAOYSA-N 1 3 304.394 0.684 20 0 DCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667156063 546562994 /nfs/dbraw/zinc/56/29/94/546562994.db2.gz OIGOQFPYXIOOHG-AAEUAGOBSA-N 1 3 324.429 0.679 20 0 DCADHO Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CC2)ccc1CN(C)C ZINC000667295453 546583672 /nfs/dbraw/zinc/58/36/72/546583672.db2.gz KIYFOUNSIKEKJF-UHFFFAOYSA-N 1 3 318.421 0.863 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668374292 546745319 /nfs/dbraw/zinc/74/53/19/546745319.db2.gz YCIIIOOWFIUQMD-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@H]1CCN(CC)C1 ZINC000668794084 546847633 /nfs/dbraw/zinc/84/76/33/546847633.db2.gz AKPTURWEZKGALZ-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000668830624 546856315 /nfs/dbraw/zinc/85/63/15/546856315.db2.gz HRQSNPNOSWUBAA-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000668830624 546856321 /nfs/dbraw/zinc/85/63/21/546856321.db2.gz HRQSNPNOSWUBAA-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)CCN1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669110450 546919491 /nfs/dbraw/zinc/91/94/91/546919491.db2.gz WOSQKEIVRKZTQH-OAHLLOKOSA-N 1 3 311.474 0.454 20 0 DCADHO CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H](CN)C1 ZINC000669503426 546981471 /nfs/dbraw/zinc/98/14/71/546981471.db2.gz NJKFKLHPOYVVQR-JALIKCBVSA-N 1 3 309.458 0.286 20 0 DCADHO CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](CN)C1 ZINC000669503426 546981472 /nfs/dbraw/zinc/98/14/72/546981472.db2.gz NJKFKLHPOYVVQR-JALIKCBVSA-N 1 3 309.458 0.286 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519907 546983846 /nfs/dbraw/zinc/98/38/46/546983846.db2.gz WZOIYJFFRKEYJU-OAGGEKHMSA-N 1 3 309.454 0.993 20 0 DCADHO COC[C@@]1(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)CCC[NH2+]1 ZINC000669555714 546991405 /nfs/dbraw/zinc/99/14/05/546991405.db2.gz BOXAAQVRWCQTJB-BBRMVZONSA-N 1 3 310.442 0.705 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCO1 ZINC000669570883 546992549 /nfs/dbraw/zinc/99/25/49/546992549.db2.gz GOSYJXVPDMSZBC-OWCLPIDISA-N 1 3 324.469 0.738 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000670629916 547117858 /nfs/dbraw/zinc/11/78/58/547117858.db2.gz SRPWGVLVSPDFLB-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672098278 547318684 /nfs/dbraw/zinc/31/86/84/547318684.db2.gz GOVWVHGLXITORM-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672098278 547318686 /nfs/dbraw/zinc/31/86/86/547318686.db2.gz GOVWVHGLXITORM-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000674699676 547617466 /nfs/dbraw/zinc/61/74/66/547617466.db2.gz RGKOEKLTEMRQGU-MELADBBJSA-N 1 3 310.442 0.632 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000674699676 547617473 /nfs/dbraw/zinc/61/74/73/547617473.db2.gz RGKOEKLTEMRQGU-MELADBBJSA-N 1 3 310.442 0.632 20 0 DCADHO CN1CC=C(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000678893864 548015649 /nfs/dbraw/zinc/01/56/49/548015649.db2.gz NRXJOOGVKYWXKG-UHFFFAOYSA-N 1 3 306.414 0.828 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1=O ZINC000679064617 548024063 /nfs/dbraw/zinc/02/40/63/548024063.db2.gz KICPGYACWZNMHU-WVZRYYJFSA-N 1 3 320.437 0.923 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000679064617 548024065 /nfs/dbraw/zinc/02/40/65/548024065.db2.gz KICPGYACWZNMHU-WVZRYYJFSA-N 1 3 320.437 0.923 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000679064617 548024067 /nfs/dbraw/zinc/02/40/67/548024067.db2.gz KICPGYACWZNMHU-WVZRYYJFSA-N 1 3 320.437 0.923 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000681113918 548204646 /nfs/dbraw/zinc/20/46/46/548204646.db2.gz DWOOMRAZCMTTDN-ZDUSSCGKSA-N 1 3 300.447 0.330 20 0 DCADHO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000685647451 548727897 /nfs/dbraw/zinc/72/78/97/548727897.db2.gz BOQOMLWEIKTAPI-HUUCEWRRSA-N 1 3 306.458 0.815 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([N@H+](C)CCF)C1 ZINC001027686067 660619890 /nfs/dbraw/zinc/61/98/90/660619890.db2.gz SCCYUXHXIBNACZ-LSDHHAIUSA-N 1 3 315.433 0.847 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([N@@H+](C)CCF)C1 ZINC001027686067 660619891 /nfs/dbraw/zinc/61/98/91/660619891.db2.gz SCCYUXHXIBNACZ-LSDHHAIUSA-N 1 3 315.433 0.847 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCCC1 ZINC000980800333 661013018 /nfs/dbraw/zinc/01/30/18/661013018.db2.gz PJMNOLISABDKKA-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccnn2C)CN1C(=O)CN1CCCC1 ZINC000980799269 661013300 /nfs/dbraw/zinc/01/33/00/661013300.db2.gz GDXJAUNCQJQSFH-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)N1CCCCC1 ZINC000981091137 661076735 /nfs/dbraw/zinc/07/67/35/661076735.db2.gz KVUMDVIUFRFXSQ-KGLIPLIRSA-N 1 3 324.469 0.753 20 0 DCADHO O=C(NC[C@@H]1CCN1CC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001038925751 661270444 /nfs/dbraw/zinc/27/04/44/661270444.db2.gz KVTQESZMUCPFRQ-LSDHHAIUSA-N 1 3 307.438 0.842 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998535631 665475473 /nfs/dbraw/zinc/47/54/73/665475473.db2.gz NOANKGKKVCYLCH-GPANFISMSA-N 1 3 319.453 0.636 20 0 DCADHO CC1CC[NH+](CCCCN2C(=O)N[C@H](CN(C)C)C2=O)CC1 ZINC000924476494 657552895 /nfs/dbraw/zinc/55/28/95/657552895.db2.gz HKDFTIUILLGGJG-CQSZACIVSA-N 1 3 310.442 0.981 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000969199895 657558267 /nfs/dbraw/zinc/55/82/67/657558267.db2.gz HCBFCLDAKRCBBR-KGLIPLIRSA-N 1 3 320.437 0.036 20 0 DCADHO C[NH+](C)[C@]1(CNC(=O)NCc2cc(N)ccn2)CCSC1 ZINC000891641328 657571865 /nfs/dbraw/zinc/57/18/65/657571865.db2.gz IZNLJLKOCJAXSX-AWEZNQCLSA-N 1 3 309.439 0.900 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000998724606 665512521 /nfs/dbraw/zinc/51/25/21/665512521.db2.gz UYYWSARVZLLDRB-CVEARBPZSA-N 1 3 319.453 0.903 20 0 DCADHO CCCN1CCC(NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000049646398 657770679 /nfs/dbraw/zinc/77/06/79/657770679.db2.gz UJBKKRCHDKDVSO-UHFFFAOYSA-N 1 3 303.472 0.780 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC001021448306 657813729 /nfs/dbraw/zinc/81/37/29/657813729.db2.gz OYHHILPBYZYKSD-HLVVYCRESA-N 1 3 306.410 0.753 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001021448306 657813736 /nfs/dbraw/zinc/81/37/36/657813736.db2.gz OYHHILPBYZYKSD-HLVVYCRESA-N 1 3 306.410 0.753 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000969723376 658107134 /nfs/dbraw/zinc/10/71/34/658107134.db2.gz XEGCIBRUYSUKCK-CWRNSKLLSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000969723376 658107138 /nfs/dbraw/zinc/10/71/38/658107138.db2.gz XEGCIBRUYSUKCK-CWRNSKLLSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001020591567 658173590 /nfs/dbraw/zinc/17/35/90/658173590.db2.gz RIHGYFXBZBBIMA-RGCMKSIDSA-N 1 3 305.426 0.355 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001020591567 658173594 /nfs/dbraw/zinc/17/35/94/658173594.db2.gz RIHGYFXBZBBIMA-RGCMKSIDSA-N 1 3 305.426 0.355 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020593035 658178689 /nfs/dbraw/zinc/17/86/89/658178689.db2.gz VKPVKGRLFKQRJJ-HJPIBITLSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020593035 658178696 /nfs/dbraw/zinc/17/86/96/658178696.db2.gz VKPVKGRLFKQRJJ-HJPIBITLSA-N 1 3 306.410 0.918 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CCCO)CC[C@@H]21 ZINC001021679859 658213641 /nfs/dbraw/zinc/21/36/41/658213641.db2.gz SSYBAMGDDJWYAW-ZFWWWQNUSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CCCO)CC[C@@H]21 ZINC001021679859 658213644 /nfs/dbraw/zinc/21/36/44/658213644.db2.gz SSYBAMGDDJWYAW-ZFWWWQNUSA-N 1 3 306.410 0.648 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC001022646786 658220356 /nfs/dbraw/zinc/22/03/56/658220356.db2.gz UVLNGENUAMVSBH-GASCZTMLSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CN(CCCO)C1 ZINC000969944249 658279414 /nfs/dbraw/zinc/27/94/14/658279414.db2.gz LAHKYLNATGFSGN-CQSZACIVSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000969949798 658285079 /nfs/dbraw/zinc/28/50/79/658285079.db2.gz XVJMPGAYQIVKLI-GDBMZVCRSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC000969954574 658288495 /nfs/dbraw/zinc/28/84/95/658288495.db2.gz HCEZUALAKAUPLS-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001022714551 658365247 /nfs/dbraw/zinc/36/52/47/658365247.db2.gz WTDHCXARIJEQLB-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)ncn1 ZINC001022719916 658383263 /nfs/dbraw/zinc/38/32/63/658383263.db2.gz OGUXLBFOGFTCAW-OEYIWLLWSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)ncn1 ZINC001022719916 658383273 /nfs/dbraw/zinc/38/32/73/658383273.db2.gz OGUXLBFOGFTCAW-OEYIWLLWSA-N 1 3 317.437 0.720 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022721380 658390823 /nfs/dbraw/zinc/39/08/23/658390823.db2.gz WOOMFEWGLOCDKZ-GUIRCDHDSA-N 1 3 320.441 0.233 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022721380 658390835 /nfs/dbraw/zinc/39/08/35/658390835.db2.gz WOOMFEWGLOCDKZ-GUIRCDHDSA-N 1 3 320.441 0.233 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+](C)C)C1=O ZINC000924434399 658579800 /nfs/dbraw/zinc/57/98/00/658579800.db2.gz JHEABGCDSWXODX-UONOGXRCSA-N 1 3 304.394 0.771 20 0 DCADHO CC[NH+](CC)CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891413656 658714734 /nfs/dbraw/zinc/71/47/34/658714734.db2.gz ZUBICAPMZIXMKO-HUUCEWRRSA-N 1 3 312.458 0.569 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001021047690 658727114 /nfs/dbraw/zinc/72/71/14/658727114.db2.gz LNSPMPWOSPKFFK-MGPQQGTHSA-N 1 3 318.421 0.779 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001021047690 658727116 /nfs/dbraw/zinc/72/71/16/658727116.db2.gz LNSPMPWOSPKFFK-MGPQQGTHSA-N 1 3 318.421 0.779 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1cnccn1 ZINC001022981482 658890533 /nfs/dbraw/zinc/89/05/33/658890533.db2.gz QTEIBYDXLOMGQB-MCIONIFRSA-N 1 3 315.421 0.870 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000891513743 658899631 /nfs/dbraw/zinc/89/96/31/658899631.db2.gz GHTGVEYQHHYRAI-KGLIPLIRSA-N 1 3 305.382 0.326 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000891513743 658899636 /nfs/dbraw/zinc/89/96/36/658899636.db2.gz GHTGVEYQHHYRAI-KGLIPLIRSA-N 1 3 305.382 0.326 20 0 DCADHO [NH3+]CC1(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000891514426 658902993 /nfs/dbraw/zinc/90/29/93/658902993.db2.gz RMMBANUIDBGZNU-KBPBESRZSA-N 1 3 310.442 0.810 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939753500 665637149 /nfs/dbraw/zinc/63/71/49/665637149.db2.gz GDMZNAWFEMMXAL-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027216064 659086432 /nfs/dbraw/zinc/08/64/32/659086432.db2.gz QQLHFCRLRDQRCI-NWDGAFQWSA-N 1 3 309.439 0.428 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027216064 659086437 /nfs/dbraw/zinc/08/64/37/659086437.db2.gz QQLHFCRLRDQRCI-NWDGAFQWSA-N 1 3 309.439 0.428 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217040 659089926 /nfs/dbraw/zinc/08/99/26/659089926.db2.gz FFRGWHDLDNVBSV-HNNXBMFYSA-N 1 3 317.437 0.819 20 0 DCADHO C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)CN1CCN(C)CC1 ZINC000893236651 659129658 /nfs/dbraw/zinc/12/96/58/659129658.db2.gz JAVSCDLLUXNFTK-OAGGEKHMSA-N 1 3 323.485 0.073 20 0 DCADHO C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)CN1CCN(C)CC1 ZINC000893236651 659129662 /nfs/dbraw/zinc/12/96/62/659129662.db2.gz JAVSCDLLUXNFTK-OAGGEKHMSA-N 1 3 323.485 0.073 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999469368 665648890 /nfs/dbraw/zinc/64/88/90/665648890.db2.gz KXHRHRIAJJJICS-UHFFFAOYSA-N 1 3 316.409 0.507 20 0 DCADHO CC(C)CC[NH+]1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857331 665660789 /nfs/dbraw/zinc/66/07/89/665660789.db2.gz SDOHJCJCEQTFDK-HQVVEAJESA-N 1 3 321.465 0.944 20 0 DCADHO Cc1nnsc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026732840 659489669 /nfs/dbraw/zinc/48/96/69/659489669.db2.gz FZHIHBQKUOUYAS-STQMWFEESA-N 1 3 323.466 0.879 20 0 DCADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734485 659491684 /nfs/dbraw/zinc/49/16/84/659491684.db2.gz ODOGYVFQVJZJJB-DZGCQCFKSA-N 1 3 320.441 0.330 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000892943871 659542149 /nfs/dbraw/zinc/54/21/49/659542149.db2.gz LHKHUAFICUMMJQ-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000892943871 659542154 /nfs/dbraw/zinc/54/21/54/659542154.db2.gz LHKHUAFICUMMJQ-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025798856 659566063 /nfs/dbraw/zinc/56/60/63/659566063.db2.gz LQAAAKKJBKWGFI-AALSBFMBSA-N 1 3 307.438 0.696 20 0 DCADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025798856 659566068 /nfs/dbraw/zinc/56/60/68/659566068.db2.gz LQAAAKKJBKWGFI-AALSBFMBSA-N 1 3 307.438 0.696 20 0 DCADHO CCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977303407 659636557 /nfs/dbraw/zinc/63/65/57/659636557.db2.gz MTBZUTCUXLBWDF-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO COc1ccnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)c1 ZINC001020025674 659659342 /nfs/dbraw/zinc/65/93/42/659659342.db2.gz YAHXWZHSZPQODL-XEZPLFJOSA-N 1 3 318.421 0.921 20 0 DCADHO C[NH+]1CCC(C(=O)N2CC[C@H](CNCc3cnns3)C2)CC1 ZINC001027036778 659725617 /nfs/dbraw/zinc/72/56/17/659725617.db2.gz HOGBHGJZFRXMTB-GFCCVEGCSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001027064161 659760799 /nfs/dbraw/zinc/76/07/99/659760799.db2.gz YIMWDYVEXHRYSO-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001026088789 659775806 /nfs/dbraw/zinc/77/58/06/659775806.db2.gz VKDMICZKBNBIRY-LEOABGAYSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001026088789 659775809 /nfs/dbraw/zinc/77/58/09/659775809.db2.gz VKDMICZKBNBIRY-LEOABGAYSA-N 1 3 309.454 0.678 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001032733656 665751652 /nfs/dbraw/zinc/75/16/52/665751652.db2.gz FJVGXQRVQFVNAF-JYJNAYRXSA-N 1 3 319.449 0.794 20 0 DCADHO CN(CC(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1)C1CCC1 ZINC000982297972 661344556 /nfs/dbraw/zinc/34/45/56/661344556.db2.gz WAKRCSQXVMMHIP-CALCHBBNSA-N 1 3 309.454 0.633 20 0 DCADHO CN(CC(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1)C1CCC1 ZINC000982297972 661344558 /nfs/dbraw/zinc/34/45/58/661344558.db2.gz WAKRCSQXVMMHIP-CALCHBBNSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001000189121 665768659 /nfs/dbraw/zinc/76/86/59/665768659.db2.gz CPJNOJUKAKKTLQ-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001000198196 665773440 /nfs/dbraw/zinc/77/34/40/665773440.db2.gz KXTFNCXWGRQNQH-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001000220794 665786059 /nfs/dbraw/zinc/78/60/59/665786059.db2.gz UVFQDZONUIDFCC-CVEARBPZSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779028 661821602 /nfs/dbraw/zinc/82/16/02/661821602.db2.gz SGIJBWLIOUXLAX-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CN1C[C@@H](O)C[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000924981677 661830242 /nfs/dbraw/zinc/83/02/42/661830242.db2.gz LOIQQCTUHKKHNK-HRCADAONSA-N 1 3 305.422 0.861 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028985565 661919677 /nfs/dbraw/zinc/91/96/77/661919677.db2.gz MLYBVKKYHFWWNV-HUUCEWRRSA-N 1 3 319.453 0.618 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985565 661919680 /nfs/dbraw/zinc/91/96/80/661919680.db2.gz MLYBVKKYHFWWNV-HUUCEWRRSA-N 1 3 319.453 0.618 20 0 DCADHO Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001000312663 665821082 /nfs/dbraw/zinc/82/10/82/665821082.db2.gz OPZDMEDSJCSUFK-CQSZACIVSA-N 1 3 316.409 0.509 20 0 DCADHO C[N@@H+]1C[C@@H]2CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000895850782 662222528 /nfs/dbraw/zinc/22/25/28/662222528.db2.gz KUVLCBJFYIQYJB-NUEKZKHPSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1C[C@@H]2CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000895850782 662222531 /nfs/dbraw/zinc/22/25/31/662222531.db2.gz KUVLCBJFYIQYJB-NUEKZKHPSA-N 1 3 322.453 0.585 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000940765699 665844103 /nfs/dbraw/zinc/84/41/03/665844103.db2.gz XAOJBYUWMGSBKZ-KBUPBQIOSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000940765699 665844107 /nfs/dbraw/zinc/84/41/07/665844107.db2.gz XAOJBYUWMGSBKZ-KBUPBQIOSA-N 1 3 324.469 0.384 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)CC1 ZINC000984740206 662296059 /nfs/dbraw/zinc/29/60/59/662296059.db2.gz QHBOVENUQDJLAP-AULYBMBSSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000984798870 662315846 /nfs/dbraw/zinc/31/58/46/662315846.db2.gz DAHWMGRZGGECHV-KLHDSHLOSA-N 1 3 309.454 0.992 20 0 DCADHO CCn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000985118948 662369825 /nfs/dbraw/zinc/36/98/25/662369825.db2.gz FULFGVGIQNEDKY-KKUMJFAQSA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000985118948 662369827 /nfs/dbraw/zinc/36/98/27/662369827.db2.gz FULFGVGIQNEDKY-KKUMJFAQSA-N 1 3 319.453 0.839 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC000985441169 662446548 /nfs/dbraw/zinc/44/65/48/662446548.db2.gz WCTXGJYMJLCOTI-AEGPPILISA-N 1 3 324.469 0.513 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC000985441169 662446549 /nfs/dbraw/zinc/44/65/49/662446549.db2.gz WCTXGJYMJLCOTI-AEGPPILISA-N 1 3 324.469 0.513 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985458270 662454304 /nfs/dbraw/zinc/45/43/04/662454304.db2.gz BGBXORNRURQOGX-DZGCQCFKSA-N 1 3 324.469 0.657 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985458270 662454305 /nfs/dbraw/zinc/45/43/05/662454305.db2.gz BGBXORNRURQOGX-DZGCQCFKSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1)N(C)C ZINC000985491861 662466748 /nfs/dbraw/zinc/46/67/48/662466748.db2.gz JGPZPJHEIWCKNQ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1)N(C)C ZINC000985491861 662466749 /nfs/dbraw/zinc/46/67/49/662466749.db2.gz JGPZPJHEIWCKNQ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001029788584 662474066 /nfs/dbraw/zinc/47/40/66/662474066.db2.gz YEHRZGDPRBIJKF-HCEZTOJASA-N 1 3 307.438 0.650 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001029788584 662474067 /nfs/dbraw/zinc/47/40/67/662474067.db2.gz YEHRZGDPRBIJKF-HCEZTOJASA-N 1 3 307.438 0.650 20 0 DCADHO CC[N@H+](C)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543360 662476195 /nfs/dbraw/zinc/47/61/95/662476195.db2.gz MXDDPAHZTLDRMZ-GNHJJJEISA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543360 662476196 /nfs/dbraw/zinc/47/61/96/662476196.db2.gz MXDDPAHZTLDRMZ-GNHJJJEISA-N 1 3 307.438 0.792 20 0 DCADHO C[C@H]1[C@H](NCCF)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000986298212 662580978 /nfs/dbraw/zinc/58/09/78/662580978.db2.gz IDLKQRJLZGBXNE-QWHCGFSZSA-N 1 3 311.405 0.607 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1)N(C)C ZINC001029996773 662628683 /nfs/dbraw/zinc/62/86/83/662628683.db2.gz LKHYVSJUZMAVFA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1)N(C)C ZINC001029996773 662628684 /nfs/dbraw/zinc/62/86/84/662628684.db2.gz LKHYVSJUZMAVFA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000987329126 662668503 /nfs/dbraw/zinc/66/85/03/662668503.db2.gz MSJOOZXMOKWGFP-SWLSCSKDSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000987329124 662668536 /nfs/dbraw/zinc/66/85/36/662668536.db2.gz MSJOOZXMOKWGFP-DOMZBBRYSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCCC1 ZINC000987529549 662684930 /nfs/dbraw/zinc/68/49/30/662684930.db2.gz DKBXEOFQTAQDNE-CABCVRRESA-N 1 3 305.426 0.558 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001030019473 662882889 /nfs/dbraw/zinc/88/28/89/662882889.db2.gz KMDADEJEYZBWIZ-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001000691431 665910931 /nfs/dbraw/zinc/91/09/31/665910931.db2.gz YTOXKTXINXPXRQ-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000691431 665910934 /nfs/dbraw/zinc/91/09/34/665910934.db2.gz YTOXKTXINXPXRQ-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989492252 662953655 /nfs/dbraw/zinc/95/36/55/662953655.db2.gz LVXULSMWTWENFR-JSGCOSHPSA-N 1 3 319.409 0.154 20 0 DCADHO Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990245320 663023155 /nfs/dbraw/zinc/02/31/55/663023155.db2.gz UFFTZXNNODZWRR-OAHLLOKOSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000898585410 663096793 /nfs/dbraw/zinc/09/67/93/663096793.db2.gz WAIPYAVAOIYQIL-MELADBBJSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000898585410 663096794 /nfs/dbraw/zinc/09/67/94/663096794.db2.gz WAIPYAVAOIYQIL-MELADBBJSA-N 1 3 312.458 0.276 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000900439435 663244116 /nfs/dbraw/zinc/24/41/16/663244116.db2.gz HPIFURQLCQEZRX-KBPBESRZSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900439435 663244118 /nfs/dbraw/zinc/24/41/18/663244118.db2.gz HPIFURQLCQEZRX-KBPBESRZSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900439435 663244121 /nfs/dbraw/zinc/24/41/21/663244121.db2.gz HPIFURQLCQEZRX-KBPBESRZSA-N 1 3 321.425 0.038 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccnn1CCN(C)C ZINC000900818778 663284863 /nfs/dbraw/zinc/28/48/63/663284863.db2.gz HQFZGRODMOTSFB-ZIAGYGMSSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnn1CCN(C)C ZINC000900818778 663284864 /nfs/dbraw/zinc/28/48/64/663284864.db2.gz HQFZGRODMOTSFB-ZIAGYGMSSA-N 1 3 307.442 0.857 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)NC(C)(C)C)C2 ZINC000903493107 663458466 /nfs/dbraw/zinc/45/84/66/663458466.db2.gz ULIZKNSRXQPUKX-JBBSTSQOSA-N 1 3 311.426 0.502 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903581662 663466030 /nfs/dbraw/zinc/46/60/30/663466030.db2.gz RAANFAOSUIJGSO-ZJUUUORDSA-N 1 3 317.377 0.479 20 0 DCADHO O=C([C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1)N1CCOCC1 ZINC000903723204 663475102 /nfs/dbraw/zinc/47/51/02/663475102.db2.gz FRYRFDDEXORGLK-HOTGVXAUSA-N 1 3 309.454 0.947 20 0 DCADHO COCC(C)(C)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903762817 663480338 /nfs/dbraw/zinc/48/03/38/663480338.db2.gz DRXODSVEKUFSOD-RDJZCZTQSA-N 1 3 311.470 0.798 20 0 DCADHO O=C1OCCN1[C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765036 663480860 /nfs/dbraw/zinc/48/08/60/663480860.db2.gz FGUVZNVCFGTZKD-KGLIPLIRSA-N 1 3 309.410 0.672 20 0 DCADHO O=C1OCCCN1C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903823952 663487640 /nfs/dbraw/zinc/48/76/40/663487640.db2.gz MADNRMZJNXQMQK-CQSZACIVSA-N 1 3 309.410 0.814 20 0 DCADHO O=C(CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCCC1 ZINC000903876642 663491646 /nfs/dbraw/zinc/49/16/46/663491646.db2.gz HJHDZMZXYKLQNF-ALOPSCKCSA-N 1 3 320.481 0.757 20 0 DCADHO CO[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000903939520 663495619 /nfs/dbraw/zinc/49/56/19/663495619.db2.gz IGNCMQHDDNLKJT-DGCLKSJQSA-N 1 3 323.359 0.837 20 0 DCADHO CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000903939520 663495620 /nfs/dbraw/zinc/49/56/20/663495620.db2.gz IGNCMQHDDNLKJT-DGCLKSJQSA-N 1 3 323.359 0.837 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903984278 663500072 /nfs/dbraw/zinc/50/00/72/663500072.db2.gz RVSKQVUMGCIRMN-WOPDTQHZSA-N 1 3 322.375 0.395 20 0 DCADHO NS(=O)(=O)C[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000904428244 663513287 /nfs/dbraw/zinc/51/32/87/663513287.db2.gz HPHXXCIDYRVORP-JTQLQIEISA-N 1 3 315.464 0.504 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000904486649 663515355 /nfs/dbraw/zinc/51/53/55/663515355.db2.gz XAHSYONLKGIOFU-IUODEOHRSA-N 1 3 306.414 0.790 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904946927 663521008 /nfs/dbraw/zinc/52/10/08/663521008.db2.gz JXBSXJVPVRMVMZ-UHFFFAOYSA-N 1 3 312.458 0.230 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000907719119 663714260 /nfs/dbraw/zinc/71/42/60/663714260.db2.gz TXNRSSNLOSRYDZ-MQYQWHSLSA-N 1 3 314.474 0.676 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000908364141 663752129 /nfs/dbraw/zinc/75/21/29/663752129.db2.gz XKBBJDWXVQGQTM-INIZCTEOSA-N 1 3 305.426 0.613 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000908364141 663752130 /nfs/dbraw/zinc/75/21/30/663752130.db2.gz XKBBJDWXVQGQTM-INIZCTEOSA-N 1 3 305.426 0.613 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)CC[N@@H+]1C ZINC000909317376 663792389 /nfs/dbraw/zinc/79/23/89/663792389.db2.gz YHAIVXHOZOIPBX-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)CC[N@H+]1C ZINC000909317376 663792390 /nfs/dbraw/zinc/79/23/90/663792390.db2.gz YHAIVXHOZOIPBX-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000911056736 663973311 /nfs/dbraw/zinc/97/33/11/663973311.db2.gz ZVVCZSQJTWONRE-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911029311 663973711 /nfs/dbraw/zinc/97/37/11/663973711.db2.gz MHQYIBDXTSZYKV-QKGCVVFFSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911030401 663974059 /nfs/dbraw/zinc/97/40/59/663974059.db2.gz VRYAEVUOKASXIJ-YJNKXOJESA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CCC(C)CC1 ZINC000911090681 663980523 /nfs/dbraw/zinc/98/05/23/663980523.db2.gz JHQANTCLOSBYDI-KBPBESRZSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911160335 663995095 /nfs/dbraw/zinc/99/50/95/663995095.db2.gz BMEKELAQFSZQOS-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911161760 663995792 /nfs/dbraw/zinc/99/57/92/663995792.db2.gz MCMBLTVKIPWJJU-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(C(=O)Cc3cnc[nH]3)CC2)CC1 ZINC000911189946 663999107 /nfs/dbraw/zinc/99/91/07/663999107.db2.gz DHRLVAVNZPZTDR-UHFFFAOYSA-N 1 3 319.453 0.971 20 0 DCADHO CCN1CCC([N@H+]2CCCN(C(=O)Cc3cnc[nH]3)CC2)CC1 ZINC000911189946 663999109 /nfs/dbraw/zinc/99/91/09/663999109.db2.gz DHRLVAVNZPZTDR-UHFFFAOYSA-N 1 3 319.453 0.971 20 0 DCADHO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911222332 664008054 /nfs/dbraw/zinc/00/80/54/664008054.db2.gz CYMIKHTVULQLHA-HUUCEWRRSA-N 1 3 322.453 0.235 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911257393 664016720 /nfs/dbraw/zinc/01/67/20/664016720.db2.gz HUFLLLIOZAPDDG-CHWSQXEVSA-N 1 3 324.469 0.419 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911259620 664017384 /nfs/dbraw/zinc/01/73/84/664017384.db2.gz YRCSCMDUHYAWIM-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000911325526 664028561 /nfs/dbraw/zinc/02/85/61/664028561.db2.gz UBLSTXAOIIPAJQ-KBXIAJHMSA-N 1 3 322.453 0.173 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911326124 664028671 /nfs/dbraw/zinc/02/86/71/664028671.db2.gz ZSTRSKFFCXEVPX-MCIONIFRSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC000911494427 664064911 /nfs/dbraw/zinc/06/49/11/664064911.db2.gz QJWVOGCSDUUOJZ-TUVASFSCSA-N 1 3 324.469 0.467 20 0 DCADHO CN(C(=O)C(=O)NCCN1CCC(C)(C)C1)C1CCC([NH3+])CC1 ZINC000911533649 664070650 /nfs/dbraw/zinc/07/06/50/664070650.db2.gz ORUSLWZTHVSELM-UHFFFAOYSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911559460 664079048 /nfs/dbraw/zinc/07/90/48/664079048.db2.gz DYIQGCPMKYEUKC-JOCQHMNTSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC000911869399 664116240 /nfs/dbraw/zinc/11/62/40/664116240.db2.gz WDSVWNBSFXQNQH-UONOGXRCSA-N 1 3 316.405 0.723 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912904955 664246400 /nfs/dbraw/zinc/24/64/00/664246400.db2.gz YLSBXJFZHAWQTI-HNNXBMFYSA-N 1 3 313.442 0.278 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912904955 664246403 /nfs/dbraw/zinc/24/64/03/664246403.db2.gz YLSBXJFZHAWQTI-HNNXBMFYSA-N 1 3 313.442 0.278 20 0 DCADHO CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958711 664638377 /nfs/dbraw/zinc/63/83/77/664638377.db2.gz WMDVGILKOPUKLA-IEBPWSSRSA-N 1 3 319.449 0.983 20 0 DCADHO CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958711 664638378 /nfs/dbraw/zinc/63/83/78/664638378.db2.gz WMDVGILKOPUKLA-IEBPWSSRSA-N 1 3 319.449 0.983 20 0 DCADHO COCCN1CC[C@H](NC(=S)NC2CC[NH+](C)CC2)C1 ZINC000730732431 664803937 /nfs/dbraw/zinc/80/39/37/664803937.db2.gz BOEUWNHVECZXBF-ZDUSSCGKSA-N 1 3 300.472 0.265 20 0 DCADHO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[C@@H]1CN1CCCC1 ZINC000923598090 665062590 /nfs/dbraw/zinc/06/25/90/665062590.db2.gz HUZIGLDDIHJADH-KGLIPLIRSA-N 1 3 301.456 0.628 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031665702 665275287 /nfs/dbraw/zinc/27/52/87/665275287.db2.gz DYZCHVNUISDUMB-HOCLYGCPSA-N 1 3 309.454 0.944 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NCC2CN(CCCF)C2)n1 ZINC001031677410 665285042 /nfs/dbraw/zinc/28/50/42/665285042.db2.gz KLMTWDUHIJXSTR-UHFFFAOYSA-N 1 3 311.405 0.466 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567003 666023576 /nfs/dbraw/zinc/02/35/76/666023576.db2.gz NZGCQVHFIKBCIU-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567003 666023578 /nfs/dbraw/zinc/02/35/78/666023578.db2.gz NZGCQVHFIKBCIU-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)C1 ZINC001002122000 666134353 /nfs/dbraw/zinc/13/43/53/666134353.db2.gz XBILLPRIVTWWQW-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)C1 ZINC001002122000 666134355 /nfs/dbraw/zinc/13/43/55/666134355.db2.gz XBILLPRIVTWWQW-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@@H]2CCN(CCCO)C2)C1 ZINC001033141370 666559787 /nfs/dbraw/zinc/55/97/87/666559787.db2.gz FCOOEWSIOJUDED-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@@H]2CCN(CCCO)C2)C1 ZINC001033141370 666559788 /nfs/dbraw/zinc/55/97/88/666559788.db2.gz FCOOEWSIOJUDED-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1)N(C)C ZINC000946642429 666575501 /nfs/dbraw/zinc/57/55/01/666575501.db2.gz JDRMQWCTJPRAJC-LVQVYYBASA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1)N(C)C ZINC000946642429 666575503 /nfs/dbraw/zinc/57/55/03/666575503.db2.gz JDRMQWCTJPRAJC-LVQVYYBASA-N 1 3 311.470 0.878 20 0 DCADHO CN(C(=O)c1ccccc1CC[NH+](C)C)[C@H]1CCN(CCO)C1 ZINC001033296873 666664574 /nfs/dbraw/zinc/66/45/74/666664574.db2.gz CTGVFKKXJYNWCL-INIZCTEOSA-N 1 3 319.449 0.929 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995884890 666719055 /nfs/dbraw/zinc/71/90/55/666719055.db2.gz MFJDEROHDNOMEU-KGLIPLIRSA-N 1 3 324.469 0.276 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995884890 666719057 /nfs/dbraw/zinc/71/90/57/666719057.db2.gz MFJDEROHDNOMEU-KGLIPLIRSA-N 1 3 324.469 0.276 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1)N(C)C ZINC000996312814 666769995 /nfs/dbraw/zinc/76/99/95/666769995.db2.gz AQYYZENDXLHIRE-KBPBESRZSA-N 1 3 322.457 0.445 20 0 DCADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000996354905 666775873 /nfs/dbraw/zinc/77/58/73/666775873.db2.gz IZOVLKITJCQZIT-TZMCWYRMSA-N 1 3 306.410 0.815 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033663713 666785413 /nfs/dbraw/zinc/78/54/13/666785413.db2.gz YEVLVOXZUTZIQX-ZBFHGGJFSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033663713 666785415 /nfs/dbraw/zinc/78/54/15/666785415.db2.gz YEVLVOXZUTZIQX-ZBFHGGJFSA-N 1 3 319.453 0.447 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000996442740 666786839 /nfs/dbraw/zinc/78/68/39/666786839.db2.gz IHZYAPVQNFVLOY-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000996442740 666786842 /nfs/dbraw/zinc/78/68/42/666786842.db2.gz IHZYAPVQNFVLOY-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]CCn2cccn2)CC1)C1CCC1 ZINC000996665424 666853690 /nfs/dbraw/zinc/85/36/90/666853690.db2.gz LQOMMXYQFGZMKF-UHFFFAOYSA-N 1 3 319.453 0.948 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996675474 666856819 /nfs/dbraw/zinc/85/68/19/666856819.db2.gz ZBGSDQYZQXRLDA-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCn2cncn2)CC1)C1CC1 ZINC000996677565 666857957 /nfs/dbraw/zinc/85/79/57/666857957.db2.gz LCCBCRKZPAFGHS-HNNXBMFYSA-N 1 3 320.441 0.199 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000996689497 666861643 /nfs/dbraw/zinc/86/16/43/666861643.db2.gz FSQJWCNZESKLJA-KBPBESRZSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000996694528 666862357 /nfs/dbraw/zinc/86/23/57/666862357.db2.gz XAQASQIUJZFYJS-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000996696295 666863209 /nfs/dbraw/zinc/86/32/09/666863209.db2.gz NPRSOODKNNOXPJ-GJZGRUSLSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CCn2cccn2)CC1)N(C)C ZINC000996710775 666869377 /nfs/dbraw/zinc/86/93/77/666869377.db2.gz FLHSPINAMNXNGP-OAHLLOKOSA-N 1 3 307.442 0.804 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC000997003384 667066297 /nfs/dbraw/zinc/06/62/97/667066297.db2.gz BEXGWLNSXLSWAX-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC000997001384 667066523 /nfs/dbraw/zinc/06/65/23/667066523.db2.gz UHULRKPTSPHIPW-JSGCOSHPSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCN(C)C3=O)CC2)C1 ZINC000997007000 667069078 /nfs/dbraw/zinc/06/90/78/667069078.db2.gz NTLWNSNQXFWWPK-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCn3cncn3)CC2)C1 ZINC000997007160 667069589 /nfs/dbraw/zinc/06/95/89/667069589.db2.gz OZDFOAGYKWEPTE-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO C[C@H]([NH2+][C@@H]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001034734816 667128293 /nfs/dbraw/zinc/12/82/93/667128293.db2.gz ZYTCIKBJANFWTP-XUXIUFHCSA-N 1 3 310.442 0.219 20 0 DCADHO Cn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034792683 667149216 /nfs/dbraw/zinc/14/92/16/667149216.db2.gz KQRXBPQXTFTEFX-RBSFLKMASA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792683 667149219 /nfs/dbraw/zinc/14/92/19/667149219.db2.gz KQRXBPQXTFTEFX-RBSFLKMASA-N 1 3 319.453 0.889 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001034997525 667211344 /nfs/dbraw/zinc/21/13/44/667211344.db2.gz ANMMPQXWWRVRKL-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001035052456 667230272 /nfs/dbraw/zinc/23/02/72/667230272.db2.gz XSOHQXIIKBIHEM-UONOGXRCSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001035052456 667230274 /nfs/dbraw/zinc/23/02/74/667230274.db2.gz XSOHQXIIKBIHEM-UONOGXRCSA-N 1 3 320.441 0.380 20 0 DCADHO Cc1cnc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000997307897 667244466 /nfs/dbraw/zinc/24/44/66/667244466.db2.gz XQJHHLNRRSMIEG-UHFFFAOYSA-N 1 3 317.437 0.961 20 0 DCADHO CC(C)(C(=O)NC1CN(C(=O)CN2CCCC2)C1)[NH+]1CCCC1 ZINC000997393369 667285217 /nfs/dbraw/zinc/28/52/17/667285217.db2.gz PCRDDHANYYPMKN-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C(=O)[C@H](O)c1cnc[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865727661 667342060 /nfs/dbraw/zinc/34/20/60/667342060.db2.gz DVIXVPIULIJFIR-UKRRQHHQSA-N 1 3 321.425 0.070 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035733670 667405562 /nfs/dbraw/zinc/40/55/62/667405562.db2.gz ICBXKFZSMJPLLK-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000922987720 667455636 /nfs/dbraw/zinc/45/56/36/667455636.db2.gz IWHHIMMGJPVYKT-CQSZACIVSA-N 1 3 310.442 0.633 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867573094 667470322 /nfs/dbraw/zinc/47/03/22/667470322.db2.gz XCSKKPYDMZBCNO-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867573094 667470325 /nfs/dbraw/zinc/47/03/25/667470325.db2.gz XCSKKPYDMZBCNO-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@H](O)COc1ccccc1F ZINC000923286975 667496473 /nfs/dbraw/zinc/49/64/73/667496473.db2.gz RTFIEITXICHWRA-AWEZNQCLSA-N 1 3 311.401 0.402 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884211113 667499854 /nfs/dbraw/zinc/49/98/54/667499854.db2.gz TUQPDHJCEYXQTA-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC1CCN(C(=O)C2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)CC1 ZINC000923306631 667502140 /nfs/dbraw/zinc/50/21/40/667502140.db2.gz NOVANFGHNRIYGL-JYJNAYRXSA-N 1 3 309.454 0.808 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884235368 667506926 /nfs/dbraw/zinc/50/69/26/667506926.db2.gz SSUMUUSIKDLNHV-GJZGRUSLSA-N 1 3 310.486 0.622 20 0 DCADHO NCC(C[NH3+])NC[C@H](O)COc1ccccc1C(F)(F)F ZINC000923356323 667515817 /nfs/dbraw/zinc/51/58/17/667515817.db2.gz KUDGAUPGLRBYFC-JTQLQIEISA-N 1 3 307.316 0.321 20 0 DCADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923384124 667521535 /nfs/dbraw/zinc/52/15/35/667521535.db2.gz APEXBWONDIYDNJ-GXFFZTMASA-N 1 3 321.343 0.365 20 0 DCADHO COc1ccc(NC(=O)CCN2CCNCC[NH2+]CC2)cc1 ZINC000923459374 667536130 /nfs/dbraw/zinc/53/61/30/667536130.db2.gz HCHIYEFTAACIFX-UHFFFAOYSA-N 1 3 306.410 0.519 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000884402012 667538397 /nfs/dbraw/zinc/53/83/97/667538397.db2.gz IIEGYCJJJJLMBG-HNNXBMFYSA-N 1 3 306.410 0.384 20 0 DCADHO COCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000884405332 667538890 /nfs/dbraw/zinc/53/88/90/667538890.db2.gz NLFOAZKHSZDHLA-RBSFLKMASA-N 1 3 309.385 0.751 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000923487477 667543031 /nfs/dbraw/zinc/54/30/31/667543031.db2.gz DIJAAMMCCBHLAV-UONOGXRCSA-N 1 3 319.405 0.613 20 0 DCADHO COCC[C@@H](N)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000884467837 667550383 /nfs/dbraw/zinc/55/03/83/667550383.db2.gz GZUGGPBKEDLTTI-RRFJBIMHSA-N 1 3 307.394 0.312 20 0 DCADHO C[C@@H]1CN(CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C[NH3+] ZINC000923503478 667551723 /nfs/dbraw/zinc/55/17/23/667551723.db2.gz IYHLSUBBSKGADQ-ZIAGYGMSSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(C)CC1 ZINC000884502833 667557588 /nfs/dbraw/zinc/55/75/88/667557588.db2.gz UPMDTMWIKVTPPS-KFWWJZLASA-N 1 3 322.453 0.186 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1(C)C ZINC000868404815 667566612 /nfs/dbraw/zinc/56/66/12/667566612.db2.gz GOTXEJOQLXUUOP-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884576549 667569605 /nfs/dbraw/zinc/56/96/05/667569605.db2.gz KCSQGYVYWXMJJW-RBSFLKMASA-N 1 3 324.469 0.468 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868418930 667569940 /nfs/dbraw/zinc/56/99/40/667569940.db2.gz SLECCXFWMSOSOD-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)N2CCNCC2)C1 ZINC000923589738 667573555 /nfs/dbraw/zinc/57/35/55/667573555.db2.gz UBRXFEUURCAFCM-OKILXGFUSA-N 1 3 318.487 0.094 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)N2CCNCC2)C1 ZINC000923589738 667573556 /nfs/dbraw/zinc/57/35/56/667573556.db2.gz UBRXFEUURCAFCM-OKILXGFUSA-N 1 3 318.487 0.094 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCCCCC[NH3+])C1=CCN(C)CC1 ZINC000884623651 667578156 /nfs/dbraw/zinc/57/81/56/667578156.db2.gz KQSDOEMVOVHAQE-AWEZNQCLSA-N 1 3 324.469 0.731 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCC1(C)C ZINC000884682367 667588640 /nfs/dbraw/zinc/58/86/40/667588640.db2.gz XRNRUOGVUUUGLZ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([NH3+])(CC)CC2)C1 ZINC000884787712 667607526 /nfs/dbraw/zinc/60/75/26/667607526.db2.gz ZSXOZNRVOOAGEI-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CN1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923610789 667656840 /nfs/dbraw/zinc/65/68/40/667656840.db2.gz YAQLXYYAXNUANO-BFHYXJOUSA-N 1 3 301.456 0.627 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000838301515 667684917 /nfs/dbraw/zinc/68/49/17/667684917.db2.gz FAKIDJLCIYHPPD-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000838301515 667684918 /nfs/dbraw/zinc/68/49/18/667684918.db2.gz FAKIDJLCIYHPPD-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870902300 667771762 /nfs/dbraw/zinc/77/17/62/667771762.db2.gz FPGFFXFPFZGZGF-KLHKWILBSA-N 1 3 322.497 0.908 20 0 DCADHO CCN(C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000887068115 667844833 /nfs/dbraw/zinc/84/48/33/667844833.db2.gz GGTQYFZWSGXQJM-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)OC[C@@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000872202773 667876490 /nfs/dbraw/zinc/87/64/90/667876490.db2.gz JZEBDCLAAXVPEA-ARFHVFGLSA-N 1 3 300.443 0.740 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302794 667888313 /nfs/dbraw/zinc/88/83/13/667888313.db2.gz MPNOKHHQLXIQPE-DGAVXFQQSA-N 1 3 324.425 0.143 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@]34C[C@H]3COC4)CC2)CC1 ZINC000888014750 667938402 /nfs/dbraw/zinc/93/84/02/667938402.db2.gz RTPLMYSXZGZMBJ-GUYCJALGSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(N1CC[C@H]2[C@H]1CCCN2CCO)C12CCC[NH+](CCC1)C2 ZINC000889744363 667986371 /nfs/dbraw/zinc/98/63/71/667986371.db2.gz LVUWQGDKSANCLJ-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889770178 667995186 /nfs/dbraw/zinc/99/51/86/667995186.db2.gz YXCFLVQXGRQGRH-FZKCQIBNSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889770178 667995187 /nfs/dbraw/zinc/99/51/87/667995187.db2.gz YXCFLVQXGRQGRH-FZKCQIBNSA-N 1 3 309.454 0.917 20 0 DCADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248371 668068897 /nfs/dbraw/zinc/06/88/97/668068897.db2.gz DSXBQQTZTPSIFO-BDJLRTHQSA-N 1 3 320.393 0.721 20 0 DCADHO CC(C)[C@@H](CNC(=S)NCC[NH+](C)C)N1CCN(C)CC1 ZINC000874068617 668144973 /nfs/dbraw/zinc/14/49/73/668144973.db2.gz MPLVLEVPXNORCR-CQSZACIVSA-N 1 3 315.531 0.284 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C2CCC(C)([NH+]3CCC3)CC2)C1=O ZINC000925265450 668287315 /nfs/dbraw/zinc/28/73/15/668287315.db2.gz ZLFIAIXUAQOYDE-MFOWVQHXSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@H](C2CCCCC2)[NH+](C)C)C1=O ZINC000925280915 668289304 /nfs/dbraw/zinc/28/93/04/668289304.db2.gz BWDUTIWTSFAJMI-ZIAGYGMSSA-N 1 3 310.442 0.979 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000875459341 668325273 /nfs/dbraw/zinc/32/52/73/668325273.db2.gz ACRQKGCAODUCIA-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000875459341 668325276 /nfs/dbraw/zinc/32/52/76/668325276.db2.gz ACRQKGCAODUCIA-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000925591674 668333492 /nfs/dbraw/zinc/33/34/92/668333492.db2.gz RTGLLYXRGWHPTA-RDBSUJKOSA-N 1 3 315.483 0.778 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@H]1C[NH3+] ZINC000926390286 668403391 /nfs/dbraw/zinc/40/33/91/668403391.db2.gz YKBOBVFOXOPGAI-CABCVRRESA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765354846 668485447 /nfs/dbraw/zinc/48/54/47/668485447.db2.gz VTRAGDFMNUGRFG-HZPDHXFCSA-N 1 3 322.497 0.955 20 0 DCADHO COc1cccc([C@H](CNC(=O)[C@@H](N)C[NH+](C)C)N(C)C)c1 ZINC000876709772 668492930 /nfs/dbraw/zinc/49/29/30/668492930.db2.gz ZORVPZQWANQSBR-GJZGRUSLSA-N 1 3 308.426 0.303 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876752189 668501531 /nfs/dbraw/zinc/50/15/31/668501531.db2.gz JCQODAMUPVVBMY-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876780326 668509583 /nfs/dbraw/zinc/50/95/83/668509583.db2.gz FDAAOSREQWZBAY-YCZSJOHXSA-N 1 3 308.470 0.684 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000876918399 668535246 /nfs/dbraw/zinc/53/52/46/668535246.db2.gz KBWDCJOTOBZEHJ-WKDVJNGCSA-N 1 3 318.425 0.312 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000876926223 668537655 /nfs/dbraw/zinc/53/76/55/668537655.db2.gz MQQLRDSMJSIBML-ILXRZTDVSA-N 1 3 308.401 0.358 20 0 DCADHO CN(C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000876964902 668543766 /nfs/dbraw/zinc/54/37/66/668543766.db2.gz VCJBUMIMZKQYBK-QLFBSQMISA-N 1 3 308.401 0.276 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967059 668544757 /nfs/dbraw/zinc/54/47/57/668544757.db2.gz BXNIAQPXDIGLND-IRXDYDNUSA-N 1 3 318.465 0.651 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967059 668544759 /nfs/dbraw/zinc/54/47/59/668544759.db2.gz BXNIAQPXDIGLND-IRXDYDNUSA-N 1 3 318.465 0.651 20 0 DCADHO O=C(COC1CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877340245 668604985 /nfs/dbraw/zinc/60/49/85/668604985.db2.gz HRGQEGXBHYJAOS-HNNXBMFYSA-N 1 3 303.406 0.586 20 0 DCADHO COC[C@]1(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCCCN1 ZINC000877354235 668608441 /nfs/dbraw/zinc/60/84/41/668608441.db2.gz CUPBXYRKVDZZBR-WZRBSPASSA-N 1 3 323.359 0.741 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371024 668610410 /nfs/dbraw/zinc/61/04/10/668610410.db2.gz JVSLSRRFFGLKHG-XYJFISCASA-N 1 3 316.449 0.514 20 0 DCADHO O[C@H](CN1CCCN(c2cc[nH+]cc2)CC1)C[C@]1(O)CCOC1 ZINC000930805399 669082318 /nfs/dbraw/zinc/08/23/18/669082318.db2.gz GYOFHTGCERZNEP-DLBZAZTESA-N 1 3 321.421 0.496 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC000931989687 669293763 /nfs/dbraw/zinc/29/37/63/669293763.db2.gz QNJURAFHFPAYJS-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO CO[C@H]1COCC[C@H]1N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000883461004 669691893 /nfs/dbraw/zinc/69/18/93/669691893.db2.gz LWZBRDFLDFHXRQ-YVSFHVDLSA-N 1 3 308.422 0.653 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000950077529 669928759 /nfs/dbraw/zinc/92/87/59/669928759.db2.gz RKERUUXHBTXWBE-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000950077529 669928762 /nfs/dbraw/zinc/92/87/62/669928762.db2.gz RKERUUXHBTXWBE-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000951238220 670223242 /nfs/dbraw/zinc/22/32/42/670223242.db2.gz KIUCUJIDJQKJBV-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000811874665 670554108 /nfs/dbraw/zinc/55/41/08/670554108.db2.gz FFMWEJKOONKSIX-SOUVJXGZSA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000811874665 670554110 /nfs/dbraw/zinc/55/41/10/670554110.db2.gz FFMWEJKOONKSIX-SOUVJXGZSA-N 1 3 312.458 0.878 20 0 DCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000813630931 670640504 /nfs/dbraw/zinc/64/05/04/670640504.db2.gz SFAJRTSLFDZXDQ-INMHGKMJSA-N 1 3 322.453 0.587 20 0 DCADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000813630931 670640506 /nfs/dbraw/zinc/64/05/06/670640506.db2.gz SFAJRTSLFDZXDQ-INMHGKMJSA-N 1 3 322.453 0.587 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000848994478 670746986 /nfs/dbraw/zinc/74/69/86/670746986.db2.gz LAKOSSBCRKSHPA-LSDHHAIUSA-N 1 3 311.474 0.505 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000849037700 670753844 /nfs/dbraw/zinc/75/38/44/670753844.db2.gz YMLIXUMIDIWNBW-KFWWJZLASA-N 1 3 309.458 0.448 20 0 DCADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNS(=O)(=O)Cc1ccccc1 ZINC000817891790 670951433 /nfs/dbraw/zinc/95/14/33/670951433.db2.gz HCYITPNHMUVPKC-CABCVRRESA-N 1 3 311.451 0.823 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000817988387 670959354 /nfs/dbraw/zinc/95/93/54/670959354.db2.gz JICUJAFAVZGGAZ-YOEHRIQHSA-N 1 3 322.453 0.282 20 0 DCADHO O=C1CCCCN1[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852745101 671154955 /nfs/dbraw/zinc/15/49/55/671154955.db2.gz OPLNLCBTDKTTDE-LSDHHAIUSA-N 1 3 307.438 0.984 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)c2ccccc2O1 ZINC000852872798 671181884 /nfs/dbraw/zinc/18/18/84/671181884.db2.gz RMDVZEQSVKSKTL-NEPJUHHUSA-N 1 3 318.377 0.446 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000821436994 671279508 /nfs/dbraw/zinc/27/95/08/671279508.db2.gz SFTZAUOTFPGPFU-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CCc1cc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n(C)n1 ZINC000824826783 671441416 /nfs/dbraw/zinc/44/14/16/671441416.db2.gz PNMXYTDDPVDFLG-AWEZNQCLSA-N 1 3 323.485 0.913 20 0 DCADHO CCc1cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n(C)n1 ZINC000824826783 671441417 /nfs/dbraw/zinc/44/14/17/671441417.db2.gz PNMXYTDDPVDFLG-AWEZNQCLSA-N 1 3 323.485 0.913 20 0 DCADHO C[NH+](C)CCn1cc(NC(=O)c2n[nH]c3c2CNCC3)cn1 ZINC000827924709 671539849 /nfs/dbraw/zinc/53/98/49/671539849.db2.gz IMDCPABVXRROPI-UHFFFAOYSA-N 1 3 303.370 0.066 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCCC[NH3+] ZINC000828247664 671548292 /nfs/dbraw/zinc/54/82/92/671548292.db2.gz XISUSJQFKXEXMI-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO O=C(CN1CCCC1)NCCCCNC(=O)C[NH+]1CCCC1 ZINC000830238781 671620141 /nfs/dbraw/zinc/62/01/41/671620141.db2.gz VGUAKDSLRJZRFH-UHFFFAOYSA-N 1 3 310.442 0.191 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000831127206 671655132 /nfs/dbraw/zinc/65/51/32/671655132.db2.gz GKCGWCOPMJVAKU-JKSUJKDBSA-N 1 3 318.421 0.808 20 0 DCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1[nH]nc2c1CNCC2 ZINC000831876448 671689404 /nfs/dbraw/zinc/68/94/04/671689404.db2.gz YFOMBARCUNJZHE-LLVKDONJSA-N 1 3 305.426 0.858 20 0 DCADHO CC1([NH+]2CCC2)CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000834786933 671780175 /nfs/dbraw/zinc/78/01/75/671780175.db2.gz WISZZAJFAMGJFW-PQUAAJSLSA-N 1 3 320.481 0.900 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000841791401 671956434 /nfs/dbraw/zinc/95/64/34/671956434.db2.gz WGKAFQLDHCWNED-HZPDHXFCSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1NCCc2ccccc21 ZINC000841851855 671960318 /nfs/dbraw/zinc/96/03/18/671960318.db2.gz ZDYHHYZZBCQDMG-GDBMZVCRSA-N 1 3 303.406 0.758 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000842014796 671974142 /nfs/dbraw/zinc/97/41/42/671974142.db2.gz FDQVSWZSHJAGOS-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842194180 671992489 /nfs/dbraw/zinc/99/24/89/671992489.db2.gz YBYJSSVZMNRTPV-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO CC[NH2+]CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000844170153 672156070 /nfs/dbraw/zinc/15/60/70/672156070.db2.gz HXOXSGSZJKNPFT-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000844192542 672161526 /nfs/dbraw/zinc/16/15/26/672161526.db2.gz XDMUQEYNZKTYER-ZDUSSCGKSA-N 1 3 303.410 0.899 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000844192219 672161582 /nfs/dbraw/zinc/16/15/82/672161582.db2.gz IXBCVDKWCLNCKI-OAHLLOKOSA-N 1 3 307.373 0.474 20 0 DCADHO [NH3+]CCC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000846148329 672297418 /nfs/dbraw/zinc/29/74/18/672297418.db2.gz ZQUMPKXHFGTKLI-GJZGRUSLSA-N 1 3 310.442 0.620 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc2c1CC[NH2+]C2 ZINC000391428135 685262236 /nfs/dbraw/zinc/26/22/36/685262236.db2.gz AMFJLTKMVPUTMX-LSDHHAIUSA-N 1 3 315.417 0.925 20 0 DCADHO CN(C)C1(C(=O)N2CCC3(C2)CC[NH+](CCO)CC3)CCC1 ZINC001040727046 694600591 /nfs/dbraw/zinc/60/05/91/694600591.db2.gz NXOWVGLALMDDDW-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026571683 693873008 /nfs/dbraw/zinc/87/30/08/693873008.db2.gz HGSPCYLEDRYFEB-YMAMQOFZSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)C1 ZINC000961763432 688725759 /nfs/dbraw/zinc/72/57/59/688725759.db2.gz KXAVIXSYUCLMQM-AIANPOQGSA-N 1 3 317.437 0.271 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)C1 ZINC000961763432 688725760 /nfs/dbraw/zinc/72/57/60/688725760.db2.gz KXAVIXSYUCLMQM-AIANPOQGSA-N 1 3 317.437 0.271 20 0 DCADHO O=C(NC[C@H]1CCN1C[C@H]1CCCOC1)C12CC[NH+](CC1)C2 ZINC001038924621 694242030 /nfs/dbraw/zinc/24/20/30/694242030.db2.gz DMUIQLJQHKTXLI-HUUCEWRRSA-N 1 3 307.438 0.699 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000965950592 689592070 /nfs/dbraw/zinc/59/20/70/689592070.db2.gz NFBLRHFTMUVRDG-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000965950592 689592072 /nfs/dbraw/zinc/59/20/72/689592072.db2.gz NFBLRHFTMUVRDG-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001039159362 694314657 /nfs/dbraw/zinc/31/46/57/694314657.db2.gz LLJRMFVPQSFZPF-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001039159362 694314662 /nfs/dbraw/zinc/31/46/62/694314662.db2.gz LLJRMFVPQSFZPF-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968702960 690372684 /nfs/dbraw/zinc/37/26/84/690372684.db2.gz QKDNOMRGSKFYHO-GDBMZVCRSA-N 1 3 317.437 0.452 20 0 DCADHO O=C(N[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001007989493 690783911 /nfs/dbraw/zinc/78/39/11/690783911.db2.gz LAKBOINSJNCXAD-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001007989493 690783914 /nfs/dbraw/zinc/78/39/14/690783914.db2.gz LAKBOINSJNCXAD-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007987612 690783974 /nfs/dbraw/zinc/78/39/74/690783974.db2.gz DLSKSCRXZXSZJX-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007987612 690783975 /nfs/dbraw/zinc/78/39/75/690783975.db2.gz DLSKSCRXZXSZJX-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CO[C@H](C)CN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014475606 692027696 /nfs/dbraw/zinc/02/76/96/692027696.db2.gz XGLAQXIHZOJYFK-ZIAGYGMSSA-N 1 3 323.441 0.284 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016614292 692731595 /nfs/dbraw/zinc/73/15/95/692731595.db2.gz LWBDAOYIGVLSFR-LSDHHAIUSA-N 1 3 309.454 0.822 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018626590 693167090 /nfs/dbraw/zinc/16/70/90/693167090.db2.gz AMTIMQVLUHEAFH-GJZGRUSLSA-N 1 3 305.426 0.513 20 0 DCADHO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018633983 693170417 /nfs/dbraw/zinc/17/04/17/693170417.db2.gz DNXZCCXXYLJCBL-ZFWWWQNUSA-N 1 3 305.426 0.247 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001018635116 693170634 /nfs/dbraw/zinc/17/06/34/693170634.db2.gz NGWSNOLVZBNQFA-HOTGVXAUSA-N 1 3 319.453 0.785 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001018938318 693289270 /nfs/dbraw/zinc/28/92/70/693289270.db2.gz IVFJKGQBHSXRRW-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001018938318 693289272 /nfs/dbraw/zinc/28/92/72/693289272.db2.gz IVFJKGQBHSXRRW-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO O=C(N1CC[C@H](N[C@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019088591 693350615 /nfs/dbraw/zinc/35/06/15/693350615.db2.gz ZFFQPVYZZBDLRD-KBPBESRZSA-N 1 3 320.437 0.084 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019169753 693376546 /nfs/dbraw/zinc/37/65/46/693376546.db2.gz JDLPJMOCRLWIMB-KRIMKBQASA-N 1 3 305.422 0.450 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001019337585 693437436 /nfs/dbraw/zinc/43/74/36/693437436.db2.gz QOCSUIFTQRMDKG-UONOGXRCSA-N 1 3 308.430 0.055 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001019380682 693453392 /nfs/dbraw/zinc/45/33/92/693453392.db2.gz JDAIBHGLBBHVRV-CJNGLKHVSA-N 1 3 319.453 0.903 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001019380682 693453395 /nfs/dbraw/zinc/45/33/95/693453395.db2.gz JDAIBHGLBBHVRV-CJNGLKHVSA-N 1 3 319.453 0.903 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3cncn3C)C2)C1 ZINC001019383194 693455825 /nfs/dbraw/zinc/45/58/25/693455825.db2.gz ZAZZIZASMKXJRE-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3cncn3C)C2)C1 ZINC001019383194 693455828 /nfs/dbraw/zinc/45/58/28/693455828.db2.gz ZAZZIZASMKXJRE-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001019382633 693456256 /nfs/dbraw/zinc/45/62/56/693456256.db2.gz FKLCFBGYZFQUBL-GJZGRUSLSA-N 1 3 319.453 0.495 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)cc1 ZINC001019386177 693457805 /nfs/dbraw/zinc/45/78/05/693457805.db2.gz GYHMYQIZLANVAV-HNNXBMFYSA-N 1 3 318.421 0.080 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001019659973 693558755 /nfs/dbraw/zinc/55/87/55/693558755.db2.gz VOPIIYXUSDLAPD-AWEZNQCLSA-N 1 3 303.410 0.206 20 0 DCADHO O=C(N1CC[C@H](NCc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC001019660346 693559110 /nfs/dbraw/zinc/55/91/10/693559110.db2.gz FHBCBGPGGFWXKN-LBPRGKRZSA-N 1 3 306.435 0.929 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072677745 694651290 /nfs/dbraw/zinc/65/12/90/694651290.db2.gz SNRCPLRGTWJKAX-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072677744 694651352 /nfs/dbraw/zinc/65/13/52/694651352.db2.gz SNRCPLRGTWJKAX-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2)N(C)C ZINC001072851352 694674845 /nfs/dbraw/zinc/67/48/45/694674845.db2.gz RXYBXOFBWXJBHJ-CQSZACIVSA-N 1 3 320.441 0.153 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2)N(C)C ZINC001072851352 694674846 /nfs/dbraw/zinc/67/48/46/694674846.db2.gz RXYBXOFBWXJBHJ-CQSZACIVSA-N 1 3 320.441 0.153 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@@H]1CCCOC1)C2 ZINC001073019072 694695450 /nfs/dbraw/zinc/69/54/50/694695450.db2.gz SNELDOYFPNRTNW-AWEZNQCLSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC001073019072 694695451 /nfs/dbraw/zinc/69/54/51/694695451.db2.gz SNELDOYFPNRTNW-AWEZNQCLSA-N 1 3 318.421 0.913 20 0 DCADHO CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073709654 694770719 /nfs/dbraw/zinc/77/07/19/694770719.db2.gz CGVGBFZTYXKWSC-KRIMKBQASA-N 1 3 323.437 0.077 20 0 DCADHO CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073709654 694770721 /nfs/dbraw/zinc/77/07/21/694770721.db2.gz CGVGBFZTYXKWSC-KRIMKBQASA-N 1 3 323.437 0.077 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C)C(N)=O ZINC001074884524 694928495 /nfs/dbraw/zinc/92/84/95/694928495.db2.gz JPGPDAVPYCBVPY-MJBXVCDLSA-N 1 3 324.469 0.561 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cn1 ZINC001075106649 694938218 /nfs/dbraw/zinc/93/82/18/694938218.db2.gz HUAOIUCNLODTCA-MAZHCROVSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cn1 ZINC001075106649 694938219 /nfs/dbraw/zinc/93/82/19/694938219.db2.gz HUAOIUCNLODTCA-MAZHCROVSA-N 1 3 317.437 0.816 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106938 694938409 /nfs/dbraw/zinc/93/84/09/694938409.db2.gz PLPOLVUNWZBYKY-YDHLFZDLSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106938 694938410 /nfs/dbraw/zinc/93/84/10/694938410.db2.gz PLPOLVUNWZBYKY-YDHLFZDLSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001075128901 694939365 /nfs/dbraw/zinc/93/93/65/694939365.db2.gz GFOSFMXUEPRGGA-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076586604 695030094 /nfs/dbraw/zinc/03/00/94/695030094.db2.gz DTAVAIVRSWAWTB-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076586604 695030095 /nfs/dbraw/zinc/03/00/95/695030095.db2.gz DTAVAIVRSWAWTB-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2=CCCCC2)C1 ZINC001571441261 1162756182 /nfs/dbraw/zinc/75/61/82/1162756182.db2.gz UTVHWIRHALEUTO-GDBMZVCRSA-N 1 3 309.454 0.895 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001751976018 1157756763 /nfs/dbraw/zinc/75/67/63/1157756763.db2.gz VHBOGIAYDNYRLO-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001751976018 1157756767 /nfs/dbraw/zinc/75/67/67/1157756767.db2.gz VHBOGIAYDNYRLO-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCOCCNC/C=C\Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571679058 1162894110 /nfs/dbraw/zinc/89/41/10/1162894110.db2.gz LMUOWJREIZVKLI-HSBHDXMMSA-N 1 3 303.834 0.755 20 0 DCADHO CN(CCOCCNC/C=C\Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571679058 1162894117 /nfs/dbraw/zinc/89/41/17/1162894117.db2.gz LMUOWJREIZVKLI-HSBHDXMMSA-N 1 3 303.834 0.755 20 0 DCADHO CN1CCC(O)(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000397499266 1158100779 /nfs/dbraw/zinc/10/07/79/1158100779.db2.gz UPXGRVPSKGYPAO-AWEZNQCLSA-N 1 3 309.366 0.675 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001648976909 1158264819 /nfs/dbraw/zinc/26/48/19/1158264819.db2.gz YMDDYBVNPPDMQU-HZPDHXFCSA-N 1 3 322.497 0.908 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001649084766 1158634580 /nfs/dbraw/zinc/63/45/80/1158634580.db2.gz HBGDFOFZXKOTAD-UONOGXRCSA-N 1 3 323.437 0.661 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC000353446537 1159097246 /nfs/dbraw/zinc/09/72/46/1159097246.db2.gz KFJWRKMZUFGSBO-DJIMGWMZSA-N 1 3 322.497 0.764 20 0 DCADHO CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001446392251 1159402118 /nfs/dbraw/zinc/40/21/18/1159402118.db2.gz GDZSIPACDXZOOC-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001447262841 1159606129 /nfs/dbraw/zinc/60/61/29/1159606129.db2.gz HBTYDBSTYFDVLL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001447262841 1159606133 /nfs/dbraw/zinc/60/61/33/1159606133.db2.gz HBTYDBSTYFDVLL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC)[C@H]2C1 ZINC001449058336 1159738777 /nfs/dbraw/zinc/73/87/77/1159738777.db2.gz ZDZGFYTZPZNCKV-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001566508464 1160032547 /nfs/dbraw/zinc/03/25/47/1160032547.db2.gz FSNBHZAPLOTQII-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001566508464 1160032559 /nfs/dbraw/zinc/03/25/59/1160032559.db2.gz FSNBHZAPLOTQII-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO COCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567054018 1160223183 /nfs/dbraw/zinc/22/31/83/1160223183.db2.gz ISJALFALWAIQIC-IUODEOHRSA-N 1 3 303.422 0.940 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001567550824 1160418386 /nfs/dbraw/zinc/41/83/86/1160418386.db2.gz LUEGRLYXCQRQNY-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001567561116 1160420989 /nfs/dbraw/zinc/42/09/89/1160420989.db2.gz ABPCRKNKCCWPNP-HNNXBMFYSA-N 1 3 320.437 0.674 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001568300184 1160624331 /nfs/dbraw/zinc/62/43/31/1160624331.db2.gz MIAILAUJRCROSY-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]C/C=C/Cl)CC(C)(C)C ZINC001568580339 1160693223 /nfs/dbraw/zinc/69/32/23/1160693223.db2.gz VHSWBIGATJTDDV-BTDICHCPSA-N 1 3 305.850 0.784 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)CN1CCCC1 ZINC001568797627 1160777256 /nfs/dbraw/zinc/77/72/56/1160777256.db2.gz JLTZKZBQUIDBGY-CQSZACIVSA-N 1 3 320.441 0.299 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001568879879 1160838161 /nfs/dbraw/zinc/83/81/61/1160838161.db2.gz PYRNULJPMKPGPO-NNTXTVRGSA-N 1 3 322.453 0.354 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001568955341 1160896746 /nfs/dbraw/zinc/89/67/46/1160896746.db2.gz UWPRYWHBYKVZQV-JSMHICHCSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)NC(=O)C(C)(C)N1CCCC1 ZINC001569011557 1160916998 /nfs/dbraw/zinc/91/69/98/1160916998.db2.gz SQTMYDVONVQDDP-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@@H](C[NH2+]CCCO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001569081341 1160937114 /nfs/dbraw/zinc/93/71/14/1160937114.db2.gz ITORRVAFXLLTKH-SWLSCSKDSA-N 1 3 303.422 0.676 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CCn2cncn2)C1 ZINC001569691368 1161197272 /nfs/dbraw/zinc/19/72/72/1161197272.db2.gz YGQFCYNWGJZJRR-MRXNPFEDSA-N 1 3 322.457 0.448 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001570153618 1161452054 /nfs/dbraw/zinc/45/20/54/1161452054.db2.gz PNIDBARUNRSPGB-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCOCCO)CC1)N(C)C ZINC001570183710 1161482715 /nfs/dbraw/zinc/48/27/15/1161482715.db2.gz PQNXNJXDLOCHIS-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCOCCO)CC1)N(C)C ZINC001570183710 1161482717 /nfs/dbraw/zinc/48/27/17/1161482717.db2.gz PQNXNJXDLOCHIS-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CO[C@H]1C[NH2+][C@H](C(=O)Nc2cnccc2N2CCN(C)CC2)C1 ZINC001574010780 1163622839 /nfs/dbraw/zinc/62/28/39/1163622839.db2.gz PZBWHNIXKQXSGP-OLZOCXBDSA-N 1 3 319.409 0.149 20 0 DCADHO CC(=O)N1C[C@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)C[C@H]2C1 ZINC001574998529 1163840495 /nfs/dbraw/zinc/84/04/95/1163840495.db2.gz FQLNYDFLJSJLOR-GASCZTMLSA-N 1 3 318.421 0.599 20 0 DCADHO CC(C)[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CC1C[NH2+]C1 ZINC001575498055 1164037027 /nfs/dbraw/zinc/03/70/27/1164037027.db2.gz HZUZNHPOAAGXFX-GJZGRUSLSA-N 1 3 315.483 0.730 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCc1c[nH]nn1)[NH+]1CCCCC1 ZINC001575566926 1164062015 /nfs/dbraw/zinc/06/20/15/1164062015.db2.gz PHDAGPOKBZJURN-UKRRQHHQSA-N 1 3 322.457 0.910 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCCNC(=O)CC[NH+](C)C ZINC001575912044 1164181642 /nfs/dbraw/zinc/18/16/42/1164181642.db2.gz FHJYVCKYMNAFKX-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H]([NH3+])C(C)(C)C1)CN1CCN(C)CC1 ZINC001576016736 1164212591 /nfs/dbraw/zinc/21/25/91/1164212591.db2.gz ATZZGTZWSACCAK-KGLIPLIRSA-N 1 3 311.474 0.249 20 0 DCADHO CC1(C)OCC(CO)(NC[C@H]2CC3(CO2)CC[NH2+]CC3)CO1 ZINC001576495333 1164366114 /nfs/dbraw/zinc/36/61/14/1164366114.db2.gz OHHZUQWEAQKCKS-CYBMUJFWSA-N 1 3 314.426 0.249 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC001576570814 1164397779 /nfs/dbraw/zinc/39/77/79/1164397779.db2.gz BBKDCRJBSPUOHM-CQSZACIVSA-N 1 3 324.469 0.864 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001576646940 1164421583 /nfs/dbraw/zinc/42/15/83/1164421583.db2.gz BZGYPLHHSSBVNN-PBFPGSCMSA-N 1 3 317.437 0.856 20 0 DCADHO C[NH+](C)C1(C(=O)NCCC2(C[NH2+]Cc3cnn[n-]3)CC2)CCC1 ZINC001576748464 1164448786 /nfs/dbraw/zinc/44/87/86/1164448786.db2.gz XBTJOEKSFJMQGG-UHFFFAOYSA-N 1 3 320.441 0.665 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576817981 1164479251 /nfs/dbraw/zinc/47/92/51/1164479251.db2.gz NSOZUQHIVVMJQX-CABCVRRESA-N 1 3 320.441 0.412 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCc1cn[nH]n1 ZINC001576817981 1164479257 /nfs/dbraw/zinc/47/92/57/1164479257.db2.gz NSOZUQHIVVMJQX-CABCVRRESA-N 1 3 320.441 0.412 20 0 DCADHO C[C@@H](CCNC(=O)CCc1c[nH]cn1)[NH2+]CCc1c[nH]nn1 ZINC001577126102 1164610915 /nfs/dbraw/zinc/61/09/15/1164610915.db2.gz QDZHEDXIVQXQGC-NSHDSACASA-N 1 3 305.386 0.188 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001577550570 1164722724 /nfs/dbraw/zinc/72/27/24/1164722724.db2.gz ACCRBEUROVOLHD-AVOUXACISA-N 1 3 324.469 0.574 20 0 DCADHO CCN(C)Cc1cc(O[C@H]2CCN(C[C@@](C)(O)C[NH3+])C2)ccn1 ZINC001577654945 1164756020 /nfs/dbraw/zinc/75/60/20/1164756020.db2.gz LQSMNQHSGHGDSK-IRXDYDNUSA-N 1 3 322.453 0.696 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C2(F)CC[NH2+]CC2)CC1 ZINC001577778107 1164791162 /nfs/dbraw/zinc/79/11/62/1164791162.db2.gz FKEWZSJYNLMXTD-CQSZACIVSA-N 1 3 314.449 0.468 20 0 DCADHO CCn1cnc(CNC2CCN(C(=O)CCC[NH2+]C)CC2)c1 ZINC001578357263 1164984519 /nfs/dbraw/zinc/98/45/19/1164984519.db2.gz OZMWYZWIBOPVGB-UHFFFAOYSA-N 1 3 307.442 0.983 20 0 DCADHO CN(CC[NH+](C)C)C(=O)CNCCNC(=O)OC(C)(C)C ZINC001578417295 1165007352 /nfs/dbraw/zinc/00/73/52/1165007352.db2.gz WLFBBDMVCSXYET-UHFFFAOYSA-N 1 3 302.419 0.121 20 0 DCADHO CN(C)CCn1c2cc(C(=O)NC[C@@H]3CC[NH2+]3)ccc2[nH]c1=O ZINC001578418573 1165009046 /nfs/dbraw/zinc/00/90/46/1165009046.db2.gz BQIHNGNZCNAACT-LBPRGKRZSA-N 1 3 317.393 0.395 20 0 DCADHO CN(C[C@@H](O)C[NH3+])C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001578442244 1165018120 /nfs/dbraw/zinc/01/81/20/1165018120.db2.gz QGRDZZRLRIHULP-GJZGRUSLSA-N 1 3 306.410 0.072 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1CN(c2ccccc2)CCO1 ZINC001578471722 1165027815 /nfs/dbraw/zinc/02/78/15/1165027815.db2.gz JGAZQBYFWSUSGF-GOSISDBHSA-N 1 3 318.465 0.729 20 0 DCADHO CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCN(C)C1 ZINC001578528653 1165044273 /nfs/dbraw/zinc/04/42/73/1165044273.db2.gz IYUSWCZFTRGREL-LSDHHAIUSA-N 1 3 324.469 0.881 20 0 DCADHO CN1CCC[C@@H](NC(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)C1 ZINC001578529109 1165046433 /nfs/dbraw/zinc/04/64/33/1165046433.db2.gz PXOWAKSIQVGMCE-KGLIPLIRSA-N 1 3 316.405 0.723 20 0 DCADHO CN1CCN(CCNC(=O)N2CC3(C2)CCC[NH2+]C3)CC1(C)C ZINC001578533593 1165048210 /nfs/dbraw/zinc/04/82/10/1165048210.db2.gz OJPXBEWBUXQMDG-UHFFFAOYSA-N 1 3 323.485 0.407 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@]2(C)C[C@@H]([NH3+])CCO2)CC1 ZINC001578533196 1165048320 /nfs/dbraw/zinc/04/83/20/1165048320.db2.gz AURSNKLBWDTQHM-HOCLYGCPSA-N 1 3 312.458 0.027 20 0 DCADHO CN1CCN(c2ccnc(NC(=O)[C@@H](F)C3C[NH2+]C3)c2)CC1 ZINC001578536972 1165051198 /nfs/dbraw/zinc/05/11/98/1165051198.db2.gz LBZSWUZGQZIJAU-AWEZNQCLSA-N 1 3 307.373 0.329 20 0 DCADHO C[NH2+]C[C@H](C)Cn1c(C)nnc1N1CCN(CC2CC2)CC1 ZINC001578632091 1165071476 /nfs/dbraw/zinc/07/14/76/1165071476.db2.gz HTCPVWOQHSRGMD-ZDUSSCGKSA-N 1 3 306.458 0.974 20 0 DCADHO COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1CN(Cc1cnn(CCF)c1)C2 ZINC001578846079 1165137895 /nfs/dbraw/zinc/13/78/95/1165137895.db2.gz RABBZGNVXDBEJW-VNHYZAJKSA-N 1 3 310.373 0.565 20 0 DCADHO COC[C@@]1(CO)CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC001578984015 1165178971 /nfs/dbraw/zinc/17/89/71/1165178971.db2.gz BKIPTPXACCTVLC-ULQDDVLXSA-N 1 3 308.422 0.248 20 0 DCADHO COC[C@@]1(CO)CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC001578984015 1165178974 /nfs/dbraw/zinc/17/89/74/1165178974.db2.gz BKIPTPXACCTVLC-ULQDDVLXSA-N 1 3 308.422 0.248 20 0 DCADHO Cn1ccc([C@H]2CCCN(C[C@@H]3CC4(C[NH2+]C4)C(=O)O3)C2)n1 ZINC001579970837 1165455969 /nfs/dbraw/zinc/45/59/69/1165455969.db2.gz DRHRZVYHGVZHKW-STQMWFEESA-N 1 3 304.394 0.505 20 0 DCADHO [NH3+][C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC001580113694 1165509130 /nfs/dbraw/zinc/50/91/30/1165509130.db2.gz MKDBSUFRHPTVKM-SJORKVTESA-N 1 3 317.433 0.649 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001580206827 1165536992 /nfs/dbraw/zinc/53/69/92/1165536992.db2.gz LNANABAKJRQYKF-KBMXLJTQSA-N 1 3 309.454 0.836 20 0 DCADHO O=C(NC[C@H]1CCN1C1CCOCC1)N[C@H]1CCC[NH2+]CC1 ZINC001580661785 1165678621 /nfs/dbraw/zinc/67/86/21/1165678621.db2.gz UYOVYLLKVBRQCJ-DZGCQCFKSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NCCCNCc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC001580683776 1165686253 /nfs/dbraw/zinc/68/62/53/1165686253.db2.gz FGSTUTDBVHLJCL-CQSZACIVSA-N 1 3 320.441 0.599 20 0 DCADHO O=C1CC[C@@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)CC[C@@H]2N1 ZINC001580846237 1165735594 /nfs/dbraw/zinc/73/55/94/1165735594.db2.gz UXVXKCPNFRXQPZ-HIFRSBDPSA-N 1 3 318.421 0.790 20 0 DCADHO O[C@H](CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)CC1(O)CCOCC1 ZINC001580877987 1165748699 /nfs/dbraw/zinc/74/86/99/1165748699.db2.gz ISORNRINJIRSMW-JYJNAYRXSA-N 1 3 312.454 0.743 20 0 DCADHO C[NH+](C)CCOCCNCc1cccc(S(C)(=O)=O)c1 ZINC001620910603 1167426215 /nfs/dbraw/zinc/42/62/15/1167426215.db2.gz ZBGVMIQMNKOFMZ-UHFFFAOYSA-N 1 3 300.424 0.758 20 0 DCADHO COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001605051449 1169796718 /nfs/dbraw/zinc/79/67/18/1169796718.db2.gz AHSYUMMBOREUSN-CQSZACIVSA-N 1 3 304.398 0.753 20 0 DCADHO COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001605051449 1169796722 /nfs/dbraw/zinc/79/67/22/1169796722.db2.gz AHSYUMMBOREUSN-CQSZACIVSA-N 1 3 304.398 0.753 20 0 DCADHO CO[C@@H]1CN(C)[C@](C)(COC(=O)COC2CC[NH+](C)CC2)C1 ZINC001649242678 1171611412 /nfs/dbraw/zinc/61/14/12/1171611412.db2.gz WJRYJOFUQOTFGE-HOCLYGCPSA-N 1 3 314.426 0.750 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCNC3=O)CC2)CC1 ZINC001646006745 1172214866 /nfs/dbraw/zinc/21/48/66/1172214866.db2.gz XOIIPUQFDZXSEK-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001646554512 1172423757 /nfs/dbraw/zinc/42/37/57/1172423757.db2.gz XGLKGWRUTIMGNB-KFWWJZLASA-N 1 3 311.474 0.167 20 0 DCADHO COCC1(CNC(=O)c2cc3n(n2)CCC[C@H]3N)CC[NH2+]CC1 ZINC001646746297 1172506379 /nfs/dbraw/zinc/50/63/79/1172506379.db2.gz CPUOOEXLKJXCNI-GFCCVEGCSA-N 1 3 321.425 0.423 20 0 DCADHO [NH3+]C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccccc1 ZINC001646835770 1172558192 /nfs/dbraw/zinc/55/81/92/1172558192.db2.gz CRTNWFVIRMNISA-BBWFWOEESA-N 1 3 317.433 0.787 20 0 DCADHO Cc1cc(NC(=O)CN2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)no1 ZINC001647548385 1172964187 /nfs/dbraw/zinc/96/41/87/1172964187.db2.gz VEZQOWTVGOIGFD-BETUJISGSA-N 1 3 307.398 0.276 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001647585147 1172984244 /nfs/dbraw/zinc/98/42/44/1172984244.db2.gz RPKLDWPWRFRFMR-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO COCC(COC)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC001650055116 1173410630 /nfs/dbraw/zinc/41/06/30/1173410630.db2.gz WPALDDJRXLJJNB-UHFFFAOYSA-N 1 3 313.486 0.997 20 0 DCADHO COCCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001650335798 1173574852 /nfs/dbraw/zinc/57/48/52/1173574852.db2.gz DOGWWLOCXRGHJV-RBSFLKMASA-N 1 3 313.442 0.228 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001650341101 1173579902 /nfs/dbraw/zinc/57/99/02/1173579902.db2.gz JWVRWQFREDXENM-OAHLLOKOSA-N 1 3 308.470 0.686 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC001650380195 1173603252 /nfs/dbraw/zinc/60/32/52/1173603252.db2.gz KVXJJIZLCPJYFR-CVEARBPZSA-N 1 3 308.470 0.742 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660277990 1173970765 /nfs/dbraw/zinc/97/07/65/1173970765.db2.gz OELOURNJKVYYPO-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001660277990 1173970769 /nfs/dbraw/zinc/97/07/69/1173970769.db2.gz OELOURNJKVYYPO-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001664190622 1174407604 /nfs/dbraw/zinc/40/76/04/1174407604.db2.gz ITUCKRCAIMWJLX-MNOVXSKESA-N 1 3 313.364 0.688 20 0 DCADHO CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)N1CCC1 ZINC001664492212 1174435086 /nfs/dbraw/zinc/43/50/86/1174435086.db2.gz MFQJCYNYXPJEOW-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)N1CCC1 ZINC001664492212 1174435088 /nfs/dbraw/zinc/43/50/88/1174435088.db2.gz MFQJCYNYXPJEOW-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)CN(C)C(C)C)C1=O ZINC001670357865 1175006726 /nfs/dbraw/zinc/00/67/26/1175006726.db2.gz VAUVUIUJJQIJNF-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001670357454 1175007136 /nfs/dbraw/zinc/00/71/36/1175007136.db2.gz GLVCAPRHHUVDLL-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCn1cccn1 ZINC001674396439 1175272709 /nfs/dbraw/zinc/27/27/09/1175272709.db2.gz NLVNOQKYVAJKRW-HNNXBMFYSA-N 1 3 316.409 0.820 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCn2cccn2)C1)N(C)C ZINC001674578532 1175284491 /nfs/dbraw/zinc/28/44/91/1175284491.db2.gz FFWFOSHYLYIOBM-UYSNPLJNSA-N 1 3 321.469 0.954 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC001698732898 1177622202 /nfs/dbraw/zinc/62/22/02/1177622202.db2.gz DVWVBWMOFALWEK-DZGCQCFKSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCn1cncn1 ZINC001698747237 1177629882 /nfs/dbraw/zinc/62/98/82/1177629882.db2.gz BMQFGTJENXXFPD-LSDHHAIUSA-N 1 3 322.457 0.493 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699214919 1177947021 /nfs/dbraw/zinc/94/70/21/1177947021.db2.gz VYFBLEGCWBDFMC-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001699214919 1177947030 /nfs/dbraw/zinc/94/70/30/1177947030.db2.gz VYFBLEGCWBDFMC-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@H](C[NH2+]CCCN1CCCC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001699365417 1178103132 /nfs/dbraw/zinc/10/31/32/1178103132.db2.gz MGAHEEKYPNHUBS-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001700089078 1178475244 /nfs/dbraw/zinc/47/52/44/1178475244.db2.gz TYUMRKDOUXMHQQ-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001703288248 1179445427 /nfs/dbraw/zinc/44/54/27/1179445427.db2.gz GCXOUSIAHFTMEM-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001703288248 1179445433 /nfs/dbraw/zinc/44/54/33/1179445433.db2.gz GCXOUSIAHFTMEM-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCOCC2CC2)C1 ZINC001713363845 1180785986 /nfs/dbraw/zinc/78/59/86/1180785986.db2.gz DKZRFUXOQPQLBU-INIZCTEOSA-N 1 3 309.454 0.947 20 0 DCADHO Cn1nncc1CN1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001713437747 1180820226 /nfs/dbraw/zinc/82/02/26/1180820226.db2.gz NAZAGZYNINHIGN-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C(C)C ZINC001714543722 1181410791 /nfs/dbraw/zinc/41/07/91/1181410791.db2.gz VTUNRTLHYFFSPO-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C(C)C ZINC001714543722 1181410794 /nfs/dbraw/zinc/41/07/94/1181410794.db2.gz VTUNRTLHYFFSPO-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@@H](NC/C=C/CNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001715910447 1182095925 /nfs/dbraw/zinc/09/59/25/1182095925.db2.gz DTYQOVVOKZCOLR-XYBNCVKDSA-N 1 3 322.453 0.355 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cnnn1C ZINC001716587200 1182457734 /nfs/dbraw/zinc/45/77/34/1182457734.db2.gz UQRSXAFBGGBJNI-OAHLLOKOSA-N 1 3 322.457 0.628 20 0 DCADHO CCOCCN1CC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001716671070 1182488769 /nfs/dbraw/zinc/48/87/69/1182488769.db2.gz KVMJCKVRIMKRLP-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO Cn1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001717092997 1182674573 /nfs/dbraw/zinc/67/45/73/1182674573.db2.gz IGOWTXPSCIUZOF-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO CCCN(C)CC(=O)NCC1=CCN(C(=O)CC[NH+](C)C)CC1 ZINC001718874843 1183380811 /nfs/dbraw/zinc/38/08/11/1183380811.db2.gz BOUDPUUBATUHTH-UHFFFAOYSA-N 1 3 324.469 0.555 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001720155012 1183487039 /nfs/dbraw/zinc/48/70/39/1183487039.db2.gz UMMUCMKVYBCPIZ-ZDUSSCGKSA-N 1 3 321.425 0.367 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001720155012 1183487041 /nfs/dbraw/zinc/48/70/41/1183487041.db2.gz UMMUCMKVYBCPIZ-ZDUSSCGKSA-N 1 3 321.425 0.367 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001723124130 1184265319 /nfs/dbraw/zinc/26/53/19/1184265319.db2.gz USQNRRKFJMKNGF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[C@H](C[NH2+]CCO)CC2)CCC1 ZINC001724606630 1184471372 /nfs/dbraw/zinc/47/13/72/1184471372.db2.gz IFWSTESSGAYSNW-SHTZXODSSA-N 1 3 311.470 0.975 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001724951242 1184633443 /nfs/dbraw/zinc/63/34/43/1184633443.db2.gz VQRZLXYQMZIVEZ-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCCC(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001725857856 1185027353 /nfs/dbraw/zinc/02/73/53/1185027353.db2.gz IWFGVCDMHWXOAK-UHFFFAOYSA-N 1 3 319.453 0.973 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C)CCN1CCCC1=O ZINC001731232635 1185197222 /nfs/dbraw/zinc/19/72/22/1185197222.db2.gz NVQAKECWTHOHBA-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCN1CCCC1=O ZINC001731232635 1185197226 /nfs/dbraw/zinc/19/72/26/1185197226.db2.gz NVQAKECWTHOHBA-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCN(CCCNC(=O)CC[NH+](C)C)[C@H]1CCCN(C)C1=O ZINC001731316342 1185260396 /nfs/dbraw/zinc/26/03/96/1185260396.db2.gz RBTBPKMFUIHIOX-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731757349 1185472495 /nfs/dbraw/zinc/47/24/95/1185472495.db2.gz IBNPYPWXCPSREN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001731757349 1185472502 /nfs/dbraw/zinc/47/25/02/1185472502.db2.gz IBNPYPWXCPSREN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001731917996 1185573561 /nfs/dbraw/zinc/57/35/61/1185573561.db2.gz UXNMPCYCZFVLTC-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001731917996 1185573576 /nfs/dbraw/zinc/57/35/76/1185573576.db2.gz UXNMPCYCZFVLTC-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731944642 1185597689 /nfs/dbraw/zinc/59/76/89/1185597689.db2.gz RMPGIYYPWOZQQA-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001731944642 1185597694 /nfs/dbraw/zinc/59/76/94/1185597694.db2.gz RMPGIYYPWOZQQA-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001732729395 1185939868 /nfs/dbraw/zinc/93/98/68/1185939868.db2.gz YUDSCCAZQNMFOC-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CCNCC(=O)N(C)CC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732810394 1185979161 /nfs/dbraw/zinc/97/91/61/1185979161.db2.gz BLOYGDXPAIUXGZ-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNCC(=O)N(C)CC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001732810394 1185979165 /nfs/dbraw/zinc/97/91/65/1185979165.db2.gz BLOYGDXPAIUXGZ-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CN(CCCNCc1cc2n(n1)CCC2)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733144236 1186161995 /nfs/dbraw/zinc/16/19/95/1186161995.db2.gz TUGBQPITIXEFQC-AWEZNQCLSA-N 1 3 319.453 0.719 20 0 DCADHO CN(CCCNCc1cc2n(n1)CCC2)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001733144236 1186162000 /nfs/dbraw/zinc/16/20/00/1186162000.db2.gz TUGBQPITIXEFQC-AWEZNQCLSA-N 1 3 319.453 0.719 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001733735780 1186421674 /nfs/dbraw/zinc/42/16/74/1186421674.db2.gz SVUHUPRDOTXAIA-ZIAGYGMSSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001733735780 1186421676 /nfs/dbraw/zinc/42/16/76/1186421676.db2.gz SVUHUPRDOTXAIA-ZIAGYGMSSA-N 1 3 301.406 0.646 20 0 DCADHO O=C(N1CCO[C@H](CNCCF)C1)C12CCC[NH+](CCC1)C2 ZINC001733738370 1186423138 /nfs/dbraw/zinc/42/31/38/1186423138.db2.gz RANGQXJCUAMSLX-CQSZACIVSA-N 1 3 313.417 0.649 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H](CNCCF)C2)C1 ZINC001733742537 1186426050 /nfs/dbraw/zinc/42/60/50/1186426050.db2.gz IVQZFQJSYQJVPD-GJZGRUSLSA-N 1 3 315.433 0.895 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H](CNCCF)C2)C1 ZINC001733742537 1186426056 /nfs/dbraw/zinc/42/60/56/1186426056.db2.gz IVQZFQJSYQJVPD-GJZGRUSLSA-N 1 3 315.433 0.895 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNC/C=C\Cl)C2)C1 ZINC001733749053 1186431010 /nfs/dbraw/zinc/43/10/10/1186431010.db2.gz FLGOSAFGIKREKN-DWFBKHCSSA-N 1 3 315.845 0.898 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNC/C=C\Cl)C2)C1 ZINC001733749053 1186431011 /nfs/dbraw/zinc/43/10/11/1186431011.db2.gz FLGOSAFGIKREKN-DWFBKHCSSA-N 1 3 315.845 0.898 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001736764710 1187094095 /nfs/dbraw/zinc/09/40/95/1187094095.db2.gz RPARBFCQTDDZJP-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001736764710 1187094099 /nfs/dbraw/zinc/09/40/99/1187094099.db2.gz RPARBFCQTDDZJP-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCNC(=O)CCC[NH+](C)C ZINC001736789989 1187106486 /nfs/dbraw/zinc/10/64/86/1187106486.db2.gz YAUFLRHVKBNWMY-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(C)C1=O ZINC001752182177 1188399491 /nfs/dbraw/zinc/39/94/91/1188399491.db2.gz VUNILILZXAXHHI-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(C)C1=O ZINC001752182177 1188399494 /nfs/dbraw/zinc/39/94/94/1188399494.db2.gz VUNILILZXAXHHI-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CC[C@H]2CCCO2)C1 ZINC001752954149 1188467130 /nfs/dbraw/zinc/46/71/30/1188467130.db2.gz SNRQZTPFYSPGCH-UKRRQHHQSA-N 1 3 306.410 0.959 20 0 DCADHO COCCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001753115120 1188504068 /nfs/dbraw/zinc/50/40/68/1188504068.db2.gz JZTIIFXSFBOPFY-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753115120 1188504070 /nfs/dbraw/zinc/50/40/70/1188504070.db2.gz JZTIIFXSFBOPFY-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001753199181 1188531761 /nfs/dbraw/zinc/53/17/61/1188531761.db2.gz MIDOQOKWOXCTQR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001753199181 1188531765 /nfs/dbraw/zinc/53/17/65/1188531765.db2.gz MIDOQOKWOXCTQR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001753251913 1188549805 /nfs/dbraw/zinc/54/98/05/1188549805.db2.gz DPWAARHFBNVNOG-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001753264496 1188553908 /nfs/dbraw/zinc/55/39/08/1188553908.db2.gz UNBXXTRMMZYUEU-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001753264496 1188553913 /nfs/dbraw/zinc/55/39/13/1188553913.db2.gz UNBXXTRMMZYUEU-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CC[NH2+]CCn1cncn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001753999088 1188706674 /nfs/dbraw/zinc/70/66/74/1188706674.db2.gz FKPULCPATHQSSP-ZIAGYGMSSA-N 1 3 308.430 0.104 20 0 DCADHO CN(CCC[NH2+]CCO[C@@H]1CC1(F)F)C(=O)[C@@H]1CCCN1C ZINC001754363754 1188831936 /nfs/dbraw/zinc/83/19/36/1188831936.db2.gz ZUJBJXHGBBMTHQ-QWHCGFSZSA-N 1 3 319.396 0.943 20 0 DCADHO CC(C)CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001755153517 1189038477 /nfs/dbraw/zinc/03/84/77/1189038477.db2.gz GTYQKOAKAJSJMQ-UHFFFAOYSA-N 1 3 308.426 0.941 20 0 DCADHO CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001755377590 1189095869 /nfs/dbraw/zinc/09/58/69/1189095869.db2.gz WMMPTUCXHNCULQ-CZUORRHYSA-N 1 3 309.454 0.801 20 0 DCADHO CC(C)N(C)CC(=O)NCC1=CCN(C(=O)CC[NH+](C)C)CC1 ZINC001756771971 1189451976 /nfs/dbraw/zinc/45/19/76/1189451976.db2.gz LWDKZWPHOJECKD-UHFFFAOYSA-N 1 3 324.469 0.553 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C ZINC001759663212 1190255824 /nfs/dbraw/zinc/25/58/24/1190255824.db2.gz VQECOBULWFNDHE-WBTMPAOCSA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C ZINC001759663212 1190255826 /nfs/dbraw/zinc/25/58/26/1190255826.db2.gz VQECOBULWFNDHE-WBTMPAOCSA-N 1 3 324.469 0.600 20 0 DCADHO N[C@H]1CCc2cc(C(=O)N[C@@H]3CCC[NH2+]CC3)ccc2NC1=O ZINC001772226633 1190635683 /nfs/dbraw/zinc/63/56/83/1190635683.db2.gz LAUHOKFQMREKRK-KGLIPLIRSA-N 1 3 316.405 0.771 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001772387533 1190671411 /nfs/dbraw/zinc/67/14/11/1190671411.db2.gz RMMIFHCFFWSWTR-MGPQQGTHSA-N 1 3 320.441 0.906 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001772387533 1190671412 /nfs/dbraw/zinc/67/14/12/1190671412.db2.gz RMMIFHCFFWSWTR-MGPQQGTHSA-N 1 3 320.441 0.906 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1(C)C ZINC001578090664 1164921087 /nfs/dbraw/zinc/92/10/87/1164921087.db2.gz PEGGEBRLZFSYKF-UTJXIGIESA-N 1 3 309.454 0.929 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1(C)C ZINC001578090664 1164921093 /nfs/dbraw/zinc/92/10/93/1164921093.db2.gz PEGGEBRLZFSYKF-UTJXIGIESA-N 1 3 309.454 0.929 20 0 DCADHO C[NH+](C)CCOCC(=O)NC[C@@H]1CCC(C)(C)CN1CCO ZINC001099310432 751354231 /nfs/dbraw/zinc/35/42/31/751354231.db2.gz LYKHJLSUQNFTLG-AWEZNQCLSA-N 1 3 315.458 0.164 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480076 751414901 /nfs/dbraw/zinc/41/49/01/751414901.db2.gz IEMGBZSBQRKGBM-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)CN1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107236035 751969144 /nfs/dbraw/zinc/96/91/44/751969144.db2.gz OIHOMOUWYHONHT-UHFFFAOYSA-N 1 3 320.441 0.503 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779652 752064444 /nfs/dbraw/zinc/06/44/44/752064444.db2.gz PGWIWPWTLNMMMU-LSDHHAIUSA-N 1 3 304.394 0.151 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779652 752064453 /nfs/dbraw/zinc/06/44/53/752064453.db2.gz PGWIWPWTLNMMMU-LSDHHAIUSA-N 1 3 304.394 0.151 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001167480422 747276466 /nfs/dbraw/zinc/27/64/66/747276466.db2.gz DYZURDFFWGQITR-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO O[C@@]1(CNC[C@@H]2COCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000690765240 747556914 /nfs/dbraw/zinc/55/69/14/747556914.db2.gz KMVIGKLGRWXHRF-IAGOWNOFSA-N 1 3 306.406 0.628 20 0 DCADHO O[C@@]1(CNC[C@@H]2COCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000690765240 747556916 /nfs/dbraw/zinc/55/69/16/747556916.db2.gz KMVIGKLGRWXHRF-IAGOWNOFSA-N 1 3 306.406 0.628 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cncn2C)C1)N(C)C ZINC001100683611 747614136 /nfs/dbraw/zinc/61/41/36/747614136.db2.gz KBFCFCMSPKOBCB-PIMMBPRGSA-N 1 3 307.442 0.745 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCC4CC4)C[C@@H]32)C1 ZINC001083274861 747679002 /nfs/dbraw/zinc/67/90/02/747679002.db2.gz CWVXEHOIYFJXDO-HRCADAONSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCC4CC4)C[C@@H]32)C1 ZINC001083274861 747679006 /nfs/dbraw/zinc/67/90/06/747679006.db2.gz CWVXEHOIYFJXDO-HRCADAONSA-N 1 3 307.438 0.650 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104731967 747844534 /nfs/dbraw/zinc/84/45/34/747844534.db2.gz GOEWYPUGDQIJKG-FRRDWIJNSA-N 1 3 321.425 0.161 20 0 DCADHO C[NH+](C)CCC(=O)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105320889 748130452 /nfs/dbraw/zinc/13/04/52/748130452.db2.gz NZOLBPDWUVEOSE-UHFFFAOYSA-N 1 3 320.441 0.503 20 0 DCADHO Cc1cc(NC(=N)NCCCC[NH3+])nc(-c2ncccn2)n1 ZINC001167881140 748460787 /nfs/dbraw/zinc/46/07/87/748460787.db2.gz XGTMKFUOFSHLGS-UHFFFAOYSA-N 1 3 300.370 0.917 20 0 DCADHO COC(=O)c1ccnc(C(=O)OC)c1NC(=N)NCCCC[NH3+] ZINC001167883235 748461825 /nfs/dbraw/zinc/46/18/25/748461825.db2.gz FKJUJNOCGVOSTE-UHFFFAOYSA-N 1 3 323.353 0.330 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001077678408 752283594 /nfs/dbraw/zinc/28/35/94/752283594.db2.gz IAQMDKKDMFVFOF-LBPRGKRZSA-N 1 3 323.441 0.613 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001077678408 752283599 /nfs/dbraw/zinc/28/35/99/752283599.db2.gz IAQMDKKDMFVFOF-LBPRGKRZSA-N 1 3 323.441 0.613 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1Cc1cnn(C)c1 ZINC001087519645 748916187 /nfs/dbraw/zinc/91/61/87/748916187.db2.gz WXUHJHRQFJXLLN-XHSDSOJGSA-N 1 3 319.453 0.983 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1Cc1cnn(C)c1 ZINC001087519645 748916193 /nfs/dbraw/zinc/91/61/93/748916193.db2.gz WXUHJHRQFJXLLN-XHSDSOJGSA-N 1 3 319.453 0.983 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102497240 750036090 /nfs/dbraw/zinc/03/60/90/750036090.db2.gz INDQZJSJONLGFU-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497240 750036096 /nfs/dbraw/zinc/03/60/96/750036096.db2.gz INDQZJSJONLGFU-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255348 750936425 /nfs/dbraw/zinc/93/64/25/750936425.db2.gz IVPCHDIKBQIATJ-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255348 750936428 /nfs/dbraw/zinc/93/64/28/750936428.db2.gz IVPCHDIKBQIATJ-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)(C(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001127322466 751111167 /nfs/dbraw/zinc/11/11/67/751111167.db2.gz PXVLGNBUQKIQIM-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)(C(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001127322467 751111204 /nfs/dbraw/zinc/11/12/04/751111204.db2.gz PXVLGNBUQKIQIM-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001127344393 751157358 /nfs/dbraw/zinc/15/73/58/751157358.db2.gz KYUCXNORVBLRHC-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001127344393 751157362 /nfs/dbraw/zinc/15/73/62/751157362.db2.gz KYUCXNORVBLRHC-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357466 751196226 /nfs/dbraw/zinc/19/62/26/751196226.db2.gz YTAMMMLRTWBWFY-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357466 751196231 /nfs/dbraw/zinc/19/62/31/751196231.db2.gz YTAMMMLRTWBWFY-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106626813 751208902 /nfs/dbraw/zinc/20/89/02/751208902.db2.gz MEBZRRVPWLZBSK-YRGRVCCFSA-N 1 3 322.457 0.810 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC001106779320 751276033 /nfs/dbraw/zinc/27/60/33/751276033.db2.gz JAMGJCHHBFBRTC-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044755652 752861168 /nfs/dbraw/zinc/86/11/68/752861168.db2.gz NNOCMCHODAELCV-STQMWFEESA-N 1 3 317.397 0.213 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001044960136 752960308 /nfs/dbraw/zinc/96/03/08/752960308.db2.gz WKLJWGCFGYNJNA-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCN(C)C1=O)C1CCC1 ZINC001045070501 753032722 /nfs/dbraw/zinc/03/27/22/753032722.db2.gz IJEJGYKIYSDNDH-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001078197268 753102901 /nfs/dbraw/zinc/10/29/01/753102901.db2.gz BAVVLKQQDJLGRO-QWHCGFSZSA-N 1 3 300.447 0.289 20 0 DCADHO CN(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC2CC2)C1)C1CC1 ZINC001078412240 753230681 /nfs/dbraw/zinc/23/06/81/753230681.db2.gz WUXXYBDEEVSZBM-HOTGVXAUSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082533 753471777 /nfs/dbraw/zinc/47/17/77/753471777.db2.gz TXJYJKVMMUVQTK-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082533 753471781 /nfs/dbraw/zinc/47/17/81/753471781.db2.gz TXJYJKVMMUVQTK-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO COCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046492032 753747610 /nfs/dbraw/zinc/74/76/10/753747610.db2.gz HAGZFUSJHASOLW-BYLPVYNFSA-N 1 3 323.437 0.077 20 0 DCADHO COCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046492032 753747617 /nfs/dbraw/zinc/74/76/17/753747617.db2.gz HAGZFUSJHASOLW-BYLPVYNFSA-N 1 3 323.437 0.077 20 0 DCADHO C[C@@]1(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+](CC2CC2)C1 ZINC001046500792 753752703 /nfs/dbraw/zinc/75/27/03/753752703.db2.gz FHWZEJDBHBJIDA-CQDXFGNVSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@@]1(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+](CC2CC2)C1 ZINC001046500792 753752705 /nfs/dbraw/zinc/75/27/05/753752705.db2.gz FHWZEJDBHBJIDA-CQDXFGNVSA-N 1 3 319.449 0.840 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001128553392 754091697 /nfs/dbraw/zinc/09/16/97/754091697.db2.gz WUARMBLTMOYELI-AAEUAGOBSA-N 1 3 316.421 0.039 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CN(C(C)C)C[C@@H]2O)C1 ZINC001047408040 754257325 /nfs/dbraw/zinc/25/73/25/754257325.db2.gz RZTMCYWXVYXXMH-PMPSAXMXSA-N 1 3 311.470 0.876 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CN(C(C)C)C[C@@H]2O)C1 ZINC001047408040 754257329 /nfs/dbraw/zinc/25/73/29/754257329.db2.gz RZTMCYWXVYXXMH-PMPSAXMXSA-N 1 3 311.470 0.876 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001128786833 754288773 /nfs/dbraw/zinc/28/87/73/754288773.db2.gz WOUICKFKZZTXKH-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001128786833 754288777 /nfs/dbraw/zinc/28/87/77/754288777.db2.gz WOUICKFKZZTXKH-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001168755066 754388304 /nfs/dbraw/zinc/38/83/04/754388304.db2.gz HEVOWROYJSTOPP-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048061327 754596994 /nfs/dbraw/zinc/59/69/94/754596994.db2.gz BFYUGJZAATXUMH-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875625 754991429 /nfs/dbraw/zinc/99/14/29/754991429.db2.gz FLSQTIZRNALXMA-JONQDZQNSA-N 1 3 311.470 0.998 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875625 754991436 /nfs/dbraw/zinc/99/14/36/754991436.db2.gz FLSQTIZRNALXMA-JONQDZQNSA-N 1 3 311.470 0.998 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001049037914 755086904 /nfs/dbraw/zinc/08/69/04/755086904.db2.gz BQISDNDHLLEDLY-LJISPDSOSA-N 1 3 324.469 0.227 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001049056825 755096521 /nfs/dbraw/zinc/09/65/21/755096521.db2.gz AJUQLJKZAKNVMM-LUKYLMHMSA-N 1 3 321.465 0.897 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001049056825 755096528 /nfs/dbraw/zinc/09/65/28/755096528.db2.gz AJUQLJKZAKNVMM-LUKYLMHMSA-N 1 3 321.465 0.897 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049465410 755274998 /nfs/dbraw/zinc/27/49/98/755274998.db2.gz RYSSEVJHEJBXCO-HRCADAONSA-N 1 3 309.454 0.917 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049465410 755275002 /nfs/dbraw/zinc/27/50/02/755275002.db2.gz RYSSEVJHEJBXCO-HRCADAONSA-N 1 3 309.454 0.917 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079495267 755882482 /nfs/dbraw/zinc/88/24/82/755882482.db2.gz DYTMYPPOHYWSDV-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079495267 755882486 /nfs/dbraw/zinc/88/24/86/755882486.db2.gz DYTMYPPOHYWSDV-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1)N(C)C ZINC001081182223 756489871 /nfs/dbraw/zinc/48/98/71/756489871.db2.gz KGNQMONFGQAQDY-BBWFWOEESA-N 1 3 319.449 0.903 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1NCC(N)=O ZINC001054646083 756596297 /nfs/dbraw/zinc/59/62/97/756596297.db2.gz AEAPCBLRTYRLDF-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054734094 756619906 /nfs/dbraw/zinc/61/99/06/756619906.db2.gz AEGITLLOOYNCPB-ZBFHGGJFSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CC1 ZINC001082653225 757214706 /nfs/dbraw/zinc/21/47/06/757214706.db2.gz AVOVTNXUNLETLS-YDZJUHGASA-N 1 3 319.449 0.696 20 0 DCADHO CN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050237481 757526516 /nfs/dbraw/zinc/52/65/16/757526516.db2.gz VIJPZMFMBBJWPW-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H](O)CN1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702135 757978725 /nfs/dbraw/zinc/97/87/25/757978725.db2.gz IXUKMXGZLBFPMR-NUEKZKHPSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)CN1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851119 758082096 /nfs/dbraw/zinc/08/20/96/758082096.db2.gz NSPUKIDHWSEWRS-ARFHVFGLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459645 762730536 /nfs/dbraw/zinc/73/05/36/762730536.db2.gz FNUJQFQCCDSNAE-FPCVCCKLSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084938982 758130014 /nfs/dbraw/zinc/13/00/14/758130014.db2.gz NPSUDISYOIUELB-PMPSAXMXSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084938982 758130019 /nfs/dbraw/zinc/13/00/19/758130019.db2.gz NPSUDISYOIUELB-PMPSAXMXSA-N 1 3 309.454 0.774 20 0 DCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001157720317 762621890 /nfs/dbraw/zinc/62/18/90/762621890.db2.gz GCZCVDISHJHUIF-ZBFHGGJFSA-N 1 3 309.385 0.532 20 0 DCADHO CC(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001051995236 759098563 /nfs/dbraw/zinc/09/85/63/759098563.db2.gz BUJZFHGUNPPWSJ-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001147823910 767852569 /nfs/dbraw/zinc/85/25/69/767852569.db2.gz GOTVSTKJGZIVSP-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147822771 767852636 /nfs/dbraw/zinc/85/26/36/767852636.db2.gz ACLQRTULHARPTA-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826527 767853544 /nfs/dbraw/zinc/85/35/44/767853544.db2.gz XFPYNXMQRPOVTI-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1)C(N)=O ZINC001086364420 760106819 /nfs/dbraw/zinc/10/68/19/760106819.db2.gz CZCYUCHNPSUQRK-KBUPBQIOSA-N 1 3 324.469 0.608 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C ZINC001155814482 760179311 /nfs/dbraw/zinc/17/93/11/760179311.db2.gz YDUMDRNSNYTHEX-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152732 760597240 /nfs/dbraw/zinc/59/72/40/760597240.db2.gz DAIXIFLSLFFLEW-WCVJEAGWSA-N 1 3 308.470 0.754 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152732 760597245 /nfs/dbraw/zinc/59/72/45/760597245.db2.gz DAIXIFLSLFFLEW-WCVJEAGWSA-N 1 3 308.470 0.754 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001148353716 767968313 /nfs/dbraw/zinc/96/83/13/767968313.db2.gz XDBSWHLYNYIYML-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@]2(C[NH3+])CN3CCC2CC3)CO1 ZINC001169351375 760646079 /nfs/dbraw/zinc/64/60/79/760646079.db2.gz YSOGYXUFMJONQV-DZKIICNBSA-N 1 3 311.426 0.110 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)CCCC[NH+](C)C)C1=O ZINC001148365242 767973857 /nfs/dbraw/zinc/97/38/57/767973857.db2.gz MNYKOXOLFHNXMT-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001115299899 760716825 /nfs/dbraw/zinc/71/68/25/760716825.db2.gz HUBDTXXIDJSZQD-QLPKVWCKSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001115299899 760716837 /nfs/dbraw/zinc/71/68/37/760716837.db2.gz HUBDTXXIDJSZQD-QLPKVWCKSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCc2cncn2C)C1 ZINC001129341383 760781551 /nfs/dbraw/zinc/78/15/51/760781551.db2.gz TYHPPMBVFSWROE-CQSZACIVSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCc2cncn2C)C1 ZINC001129341383 760781543 /nfs/dbraw/zinc/78/15/43/760781543.db2.gz TYHPPMBVFSWROE-CQSZACIVSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001129340654 760788102 /nfs/dbraw/zinc/78/81/02/760788102.db2.gz OOUUVFKEXWGTDB-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001129340654 760788104 /nfs/dbraw/zinc/78/81/04/760788104.db2.gz OOUUVFKEXWGTDB-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001123486759 767985958 /nfs/dbraw/zinc/98/59/58/767985958.db2.gz IBWCPVRQTJWBIN-HIFRSBDPSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001123486759 767985961 /nfs/dbraw/zinc/98/59/61/767985961.db2.gz IBWCPVRQTJWBIN-HIFRSBDPSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001123486759 767985965 /nfs/dbraw/zinc/98/59/65/767985965.db2.gz IBWCPVRQTJWBIN-HIFRSBDPSA-N 1 3 322.457 0.515 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)CCC1 ZINC001129362606 761038992 /nfs/dbraw/zinc/03/89/92/761038992.db2.gz ASFHVCYFOGGXQP-AWEZNQCLSA-N 1 3 313.442 0.372 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364845 761055236 /nfs/dbraw/zinc/05/52/36/761055236.db2.gz ZZBNDGYGGQGSKG-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001070204581 761135310 /nfs/dbraw/zinc/13/53/10/761135310.db2.gz GIMZNHFCMKWMJM-ILXRZTDVSA-N 1 3 320.441 0.514 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001070217529 761141554 /nfs/dbraw/zinc/14/15/54/761141554.db2.gz GZBUXZNMYCCGON-KFWWJZLASA-N 1 3 320.441 0.370 20 0 DCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653754 761495740 /nfs/dbraw/zinc/49/57/40/761495740.db2.gz FURSIHKNZADAGD-QPSCCSFWSA-N 1 3 313.442 0.057 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(N)=O)C1 ZINC001112586196 761703903 /nfs/dbraw/zinc/70/39/03/761703903.db2.gz MGCCIOXLRSYTCH-KEYYUXOJSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071415405 761828640 /nfs/dbraw/zinc/82/86/40/761828640.db2.gz GPVJOQWDVBXNIV-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCO)C2)[C@H](C1CC1)N1CCCC1 ZINC001098960217 762765003 /nfs/dbraw/zinc/76/50/03/762765003.db2.gz RWLNLRJEXFAWGT-BQFCYCMXSA-N 1 3 321.465 0.824 20 0 DCADHO O=C(N[C@]12CCC[C@H]1C[N@H+](CCO)C2)[C@H](C1CC1)N1CCCC1 ZINC001098960217 762765009 /nfs/dbraw/zinc/76/50/09/762765009.db2.gz RWLNLRJEXFAWGT-BQFCYCMXSA-N 1 3 321.465 0.824 20 0 DCADHO Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001086875087 768083421 /nfs/dbraw/zinc/08/34/21/768083421.db2.gz FDSCMYBRLYRNLA-SOUVJXGZSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086875087 768083429 /nfs/dbraw/zinc/08/34/29/768083429.db2.gz FDSCMYBRLYRNLA-SOUVJXGZSA-N 1 3 319.453 0.746 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001129421535 762933367 /nfs/dbraw/zinc/93/33/67/762933367.db2.gz ACDBPQWUKBDORF-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1=O ZINC001129421535 762933368 /nfs/dbraw/zinc/93/33/68/762933368.db2.gz ACDBPQWUKBDORF-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1CC1 ZINC001129442444 762944930 /nfs/dbraw/zinc/94/49/30/762944930.db2.gz AEXHHAWRPAZJTD-QWRGUYRKSA-N 1 3 311.348 0.346 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129844942 763022594 /nfs/dbraw/zinc/02/25/94/763022594.db2.gz AVPXUQGUOJKDPC-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129844942 763022599 /nfs/dbraw/zinc/02/25/99/763022599.db2.gz AVPXUQGUOJKDPC-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001129849749 763024266 /nfs/dbraw/zinc/02/42/66/763024266.db2.gz SROYOXPBIZZRCM-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001129849749 763024273 /nfs/dbraw/zinc/02/42/73/763024273.db2.gz SROYOXPBIZZRCM-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1)N(C)C ZINC001129949648 763055304 /nfs/dbraw/zinc/05/53/04/763055304.db2.gz HDSLDLYUDYDORO-GJZGRUSLSA-N 1 3 315.458 0.474 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001129947274 763066095 /nfs/dbraw/zinc/06/60/95/763066095.db2.gz RLVMLIKWXNFPTA-QWRGUYRKSA-N 1 3 313.364 0.592 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1)N(C)C ZINC001130205318 763178107 /nfs/dbraw/zinc/17/81/07/763178107.db2.gz KASJKZVJMLGVRV-UONOGXRCSA-N 1 3 301.431 0.228 20 0 DCADHO CCN1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099898462 768122066 /nfs/dbraw/zinc/12/20/66/768122066.db2.gz BXRCKOHZGVVGRP-GJZGRUSLSA-N 1 3 306.410 0.479 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421801 763294267 /nfs/dbraw/zinc/29/42/67/763294267.db2.gz JWIPSOAGPVJAJC-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421801 763294275 /nfs/dbraw/zinc/29/42/75/763294275.db2.gz JWIPSOAGPVJAJC-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001130421878 763295019 /nfs/dbraw/zinc/29/50/19/763295019.db2.gz MLGNDXWEONTBKB-LBPRGKRZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001130421878 763295025 /nfs/dbraw/zinc/29/50/25/763295025.db2.gz MLGNDXWEONTBKB-LBPRGKRZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C ZINC001130427968 763299117 /nfs/dbraw/zinc/29/91/17/763299117.db2.gz WYUBXXRECNGBST-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C ZINC001130427968 763299121 /nfs/dbraw/zinc/29/91/21/763299121.db2.gz WYUBXXRECNGBST-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO CN(CC[NH3+])CCNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001170498329 763351198 /nfs/dbraw/zinc/35/11/98/763351198.db2.gz JQRTWMFSJUZPBR-CQSZACIVSA-N 1 3 304.442 0.588 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130711605 763451168 /nfs/dbraw/zinc/45/11/68/763451168.db2.gz XIXZUIHKSBHSEK-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130711605 763451170 /nfs/dbraw/zinc/45/11/70/763451170.db2.gz XIXZUIHKSBHSEK-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]([NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001100333683 763500040 /nfs/dbraw/zinc/50/00/40/763500040.db2.gz JQQMYNMUQKJITO-IYXRBSQSSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001101037522 763932840 /nfs/dbraw/zinc/93/28/40/763932840.db2.gz PXZVHYCLRBXNAC-UHFFFAOYSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786634 764033445 /nfs/dbraw/zinc/03/34/45/764033445.db2.gz ZDXXXCLMCJTNLR-HNNXBMFYSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001101282224 764037043 /nfs/dbraw/zinc/03/70/43/764037043.db2.gz YRUZTISJYHNCOG-PBHICJAKSA-N 1 3 311.470 0.879 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1 ZINC001101282224 764037052 /nfs/dbraw/zinc/03/70/52/764037052.db2.gz YRUZTISJYHNCOG-PBHICJAKSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351529 764066980 /nfs/dbraw/zinc/06/69/80/764066980.db2.gz JAVGJFYLYYZMGJ-VBQJREDUSA-N 1 3 324.469 0.195 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCCO)C1 ZINC001132410500 764446599 /nfs/dbraw/zinc/44/65/99/764446599.db2.gz MMSBGXSWTZBGSU-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCOCCO)C1 ZINC001132410500 764446607 /nfs/dbraw/zinc/44/66/07/764446607.db2.gz MMSBGXSWTZBGSU-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1C)N(C)C ZINC001102087905 764522116 /nfs/dbraw/zinc/52/21/16/764522116.db2.gz APTQMONNTXSYPD-KBUPBQIOSA-N 1 3 315.458 0.018 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C)N(C)C ZINC001102087905 764522121 /nfs/dbraw/zinc/52/21/21/764522121.db2.gz APTQMONNTXSYPD-KBUPBQIOSA-N 1 3 315.458 0.018 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001132738021 764615095 /nfs/dbraw/zinc/61/50/95/764615095.db2.gz TYJXMLYGTSBOPU-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001132738021 764615103 /nfs/dbraw/zinc/61/51/03/764615103.db2.gz TYJXMLYGTSBOPU-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001132738595 764617241 /nfs/dbraw/zinc/61/72/41/764617241.db2.gz ILAJLGVHALQFGT-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001132738595 764617245 /nfs/dbraw/zinc/61/72/45/764617245.db2.gz ILAJLGVHALQFGT-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995513 764783894 /nfs/dbraw/zinc/78/38/94/764783894.db2.gz WMUHVRSLIQJISA-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285936 764905617 /nfs/dbraw/zinc/90/56/17/764905617.db2.gz PCXBYNDTNATBBF-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCCc1ccccc1 ZINC001133291748 764909802 /nfs/dbraw/zinc/90/98/02/764909802.db2.gz YFXCUISDFHEANA-UHFFFAOYSA-N 1 3 320.437 0.003 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103564 764945150 /nfs/dbraw/zinc/94/51/50/764945150.db2.gz NVBQIQFUKQYWHZ-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103564 764945157 /nfs/dbraw/zinc/94/51/57/764945157.db2.gz NVBQIQFUKQYWHZ-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001133419714 764958032 /nfs/dbraw/zinc/95/80/32/764958032.db2.gz VOBGJBMXMYQDJZ-UKRRQHHQSA-N 1 3 312.458 0.195 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434204 764968094 /nfs/dbraw/zinc/96/80/94/764968094.db2.gz KSEILLIIOVWXJX-QWHCGFSZSA-N 1 3 300.447 0.193 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378829 765041947 /nfs/dbraw/zinc/04/19/47/765041947.db2.gz MQCOYNZDISUUQP-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)[NH+](CC)CC ZINC001133684290 765090452 /nfs/dbraw/zinc/09/04/52/765090452.db2.gz GJOCEQVLKPULJS-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834423 765164963 /nfs/dbraw/zinc/16/49/63/765164963.db2.gz XGBDOUFBNBOHOF-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834423 765164967 /nfs/dbraw/zinc/16/49/67/765164967.db2.gz XGBDOUFBNBOHOF-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001133845471 765178320 /nfs/dbraw/zinc/17/83/20/765178320.db2.gz GSEZIXJCNZBCII-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001133845471 765178323 /nfs/dbraw/zinc/17/83/23/765178323.db2.gz GSEZIXJCNZBCII-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C)N(C)C ZINC001133967908 765260140 /nfs/dbraw/zinc/26/01/40/765260140.db2.gz HMSKCZIXCRRJNO-STQMWFEESA-N 1 3 300.447 0.193 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001159155537 765493964 /nfs/dbraw/zinc/49/39/64/765493964.db2.gz PMEJCCWUJJKHJQ-CQSZACIVSA-N 1 3 313.421 0.696 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134613930 765591885 /nfs/dbraw/zinc/59/18/85/765591885.db2.gz YUHXHQYXBJKDLJ-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001115161926 765617263 /nfs/dbraw/zinc/61/72/63/765617263.db2.gz PQAMZGIKEKXBJD-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]21 ZINC001115161926 765617267 /nfs/dbraw/zinc/61/72/67/765617267.db2.gz PQAMZGIKEKXBJD-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001134765992 765661242 /nfs/dbraw/zinc/66/12/42/765661242.db2.gz CCJAQQBQWFKPDZ-INIZCTEOSA-N 1 3 321.469 0.931 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cn1 ZINC001135093054 765801604 /nfs/dbraw/zinc/80/16/04/765801604.db2.gz GVEBMCHTIDQAGJ-GJZGRUSLSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cn1 ZINC001135093054 765801609 /nfs/dbraw/zinc/80/16/09/765801609.db2.gz GVEBMCHTIDQAGJ-GJZGRUSLSA-N 1 3 305.426 0.643 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001135511610 765965766 /nfs/dbraw/zinc/96/57/66/765965766.db2.gz VIAQOMHPPWUGFW-CQSZACIVSA-N 1 3 321.421 0.874 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001135511551 765965814 /nfs/dbraw/zinc/96/58/14/765965814.db2.gz SLFZPJILXGAFGS-UHFFFAOYSA-N 1 3 315.462 0.132 20 0 DCADHO CCC[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117077099 765975097 /nfs/dbraw/zinc/97/50/97/765975097.db2.gz XNECLFSXXAHUQL-ZDUSSCGKSA-N 1 3 300.447 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001135975935 766197969 /nfs/dbraw/zinc/19/79/69/766197969.db2.gz FNGSUECASCPGJI-OLZOCXBDSA-N 1 3 300.447 0.289 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001119240499 766606706 /nfs/dbraw/zinc/60/67/06/766606706.db2.gz XDAHWLWNKBNYBW-UHFFFAOYSA-N 1 3 323.441 0.452 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001171215366 767018875 /nfs/dbraw/zinc/01/88/75/767018875.db2.gz BCRHVUFGEAYVCW-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001171215366 767018886 /nfs/dbraw/zinc/01/88/86/767018886.db2.gz BCRHVUFGEAYVCW-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCNCC(=O)Nc2ccon2)C1 ZINC001171226458 767051068 /nfs/dbraw/zinc/05/10/68/767051068.db2.gz GWBODBBYKGDVJO-LBPRGKRZSA-N 1 3 323.397 0.051 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCCNCC(=O)Nc2ccon2)C1 ZINC001171226458 767051075 /nfs/dbraw/zinc/05/10/75/767051075.db2.gz GWBODBBYKGDVJO-LBPRGKRZSA-N 1 3 323.397 0.051 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001171228178 767053830 /nfs/dbraw/zinc/05/38/30/767053830.db2.gz SNQBNAKBWQZDPC-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001171228178 767053839 /nfs/dbraw/zinc/05/38/39/767053839.db2.gz SNQBNAKBWQZDPC-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO CCn1nncc1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091364310 767209409 /nfs/dbraw/zinc/20/94/09/767209409.db2.gz CMCXNJUOXURINA-ROKHWSDSSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091364310 767209415 /nfs/dbraw/zinc/20/94/15/767209415.db2.gz CMCXNJUOXURINA-ROKHWSDSSA-N 1 3 320.441 0.234 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCC(C)C)N(C)C ZINC001160889105 767379881 /nfs/dbraw/zinc/37/98/81/767379881.db2.gz CPAAGURNBGBACD-ZIAGYGMSSA-N 1 3 314.474 0.583 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711757 767509749 /nfs/dbraw/zinc/50/97/49/767509749.db2.gz WGYIPPVBASMEMA-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711757 767509750 /nfs/dbraw/zinc/50/97/50/767509750.db2.gz WGYIPPVBASMEMA-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC1CC([NH3+])C1 ZINC001121996674 767693130 /nfs/dbraw/zinc/69/31/30/767693130.db2.gz KLWYMPSREQSWEE-JXQTWKCFSA-N 1 3 310.442 0.173 20 0 DCADHO Cn1cncc1CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333144 767712117 /nfs/dbraw/zinc/71/21/17/767712117.db2.gz CQIMBFPTIKAPSH-UHFFFAOYSA-N 1 3 319.453 0.748 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC001202990760 768503996 /nfs/dbraw/zinc/50/39/96/768503996.db2.gz CMYWOMFKUXEAGY-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCOC)CCCO1)N(C)C ZINC001150350493 769071940 /nfs/dbraw/zinc/07/19/40/769071940.db2.gz JNKYOEISPSNAQC-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCOC)CCCO1)N(C)C ZINC001150350493 769071950 /nfs/dbraw/zinc/07/19/50/769071950.db2.gz JNKYOEISPSNAQC-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C[C@@H](O)COC)N(C)C ZINC001171508620 769312239 /nfs/dbraw/zinc/31/22/39/769312239.db2.gz HFOHHQAHXCJTRJ-RBSFLKMASA-N 1 3 317.474 0.599 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001171769898 769371931 /nfs/dbraw/zinc/37/19/31/769371931.db2.gz HEDWLWHYGSQIPN-UHFFFAOYSA-N 1 3 311.386 0.051 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172166841 769450722 /nfs/dbraw/zinc/45/07/22/769450722.db2.gz RSJJMSMHSNPANL-UONOGXRCSA-N 1 3 323.437 0.886 20 0 DCADHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172166841 769450726 /nfs/dbraw/zinc/45/07/26/769450726.db2.gz RSJJMSMHSNPANL-UONOGXRCSA-N 1 3 323.437 0.886 20 0 DCADHO O=C1CC[C@@H]2C[C@@H](N3CCN(CC[NH+]4CCCC4)CC3)CCN12 ZINC001172180238 769455425 /nfs/dbraw/zinc/45/54/25/769455425.db2.gz SCNYRRYMVFTHQJ-DLBZAZTESA-N 1 3 320.481 0.853 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc2[nH]c(=S)[nH]c2c1 ZINC001152286577 769522800 /nfs/dbraw/zinc/52/28/00/769522800.db2.gz MBTBKZBKKLZDSM-UHFFFAOYSA-N 1 3 306.395 0.926 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001152431768 769553812 /nfs/dbraw/zinc/55/38/12/769553812.db2.gz DSXGGIDELXWKRP-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCCN1CC)C(N)=O ZINC001152458562 769566103 /nfs/dbraw/zinc/56/61/03/769566103.db2.gz QPYZNJLRVQHVTM-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO [NH3+]CCCN1CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173659885 769696138 /nfs/dbraw/zinc/69/61/38/769696138.db2.gz JEECJIMUDLFJGN-UHFFFAOYSA-N 1 3 308.392 0.980 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)CCCC[NH+]2CCCC2)C1=O ZINC001153315096 769780258 /nfs/dbraw/zinc/78/02/58/769780258.db2.gz XSFMVJAXPQMHAS-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CN(C)C(=O)COC[C@H]1Cn2nccc2CN(CCCC[NH3+])C1 ZINC001235486609 769856483 /nfs/dbraw/zinc/85/64/83/769856483.db2.gz RSIFLOVDQJWIOY-CQSZACIVSA-N 1 3 323.441 0.159 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153827901 769952390 /nfs/dbraw/zinc/95/23/90/769952390.db2.gz AXUAPSZXRIAEGT-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153827901 769952397 /nfs/dbraw/zinc/95/23/97/769952397.db2.gz AXUAPSZXRIAEGT-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO COC(=O)[C@H](N)C1CC[NH+](C[C@@H]2Cc3ccccc3CN2)CC1 ZINC001236065579 769978113 /nfs/dbraw/zinc/97/81/13/769978113.db2.gz BQCQQLLXGGSISL-DLBZAZTESA-N 1 3 317.433 0.913 20 0 DCADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(F)c([O-])c1 ZINC001236312523 769995085 /nfs/dbraw/zinc/99/50/85/769995085.db2.gz WSGZFSFXQQAFIM-UHFFFAOYSA-N 1 3 312.389 0.147 20 0 DCADHO COc1ccc(C2(NS(=O)(=O)CCN)CC[NH2+]CC2)cc1 ZINC001238815355 770131612 /nfs/dbraw/zinc/13/16/12/770131612.db2.gz CTFONPLAINTMOE-UHFFFAOYSA-N 1 3 313.423 0.152 20 0 DCADHO NCCS(=O)(=O)NC1(c2ccccc2Cl)CC[NH2+]CC1 ZINC001238811229 770131803 /nfs/dbraw/zinc/13/18/03/770131803.db2.gz LXTNEKBFJJBERQ-UHFFFAOYSA-N 1 3 317.842 0.797 20 0 DCADHO [NH3+]CCCC[NH2+]CCC[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001238879975 770141733 /nfs/dbraw/zinc/14/17/33/770141733.db2.gz RUZIJZFPBHPLMD-UHFFFAOYSA-N 1 3 320.846 0.732 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CCOCCO ZINC001176754844 770167839 /nfs/dbraw/zinc/16/78/39/770167839.db2.gz ZEOJBBJDUXKHSM-OAHLLOKOSA-N 1 3 317.474 0.600 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001176760340 770167853 /nfs/dbraw/zinc/16/78/53/770167853.db2.gz VHTSBRBQKISFII-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C ZINC001176754184 770168566 /nfs/dbraw/zinc/16/85/66/770168566.db2.gz SQEYMHKQBWHDKZ-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001176753621 770168675 /nfs/dbraw/zinc/16/86/75/770168675.db2.gz IZRPBNHRJFVTMC-QWHCGFSZSA-N 1 3 300.447 0.465 20 0 DCADHO [NH3+]CC1(N(Cc2ccccc2)C(=O)Cc2c[nH]cn2)COC1 ZINC001176833444 770182431 /nfs/dbraw/zinc/18/24/31/770182431.db2.gz LCGSAOCGDGHZMN-UHFFFAOYSA-N 1 3 300.362 0.709 20 0 DCADHO Cn1ccc(CNCCCNC(=O)CC[NH+]2CCCCC2)n1 ZINC001176930048 770230733 /nfs/dbraw/zinc/23/07/33/770230733.db2.gz CBNSXEUGBTYFNF-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176986465 770273586 /nfs/dbraw/zinc/27/35/86/770273586.db2.gz PDGMPKJWCJFYSB-CYBMUJFWSA-N 1 3 319.471 0.001 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001176991754 770282847 /nfs/dbraw/zinc/28/28/47/770282847.db2.gz DDWSIVIJCQHMOL-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001176992719 770282941 /nfs/dbraw/zinc/28/29/41/770282941.db2.gz YQFVCQXWNKSPCK-CQSZACIVSA-N 1 3 308.430 0.248 20 0 DCADHO NCc1cc(-n2c3ccccc3nc2N2CC[NH2+]CC2)ncn1 ZINC001155579176 770553783 /nfs/dbraw/zinc/55/37/83/770553783.db2.gz WFGZMPZKAUCZBV-UHFFFAOYSA-N 1 3 309.377 0.684 20 0 DCADHO COc1ccnc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)c1 ZINC001155790938 770618831 /nfs/dbraw/zinc/61/88/31/770618831.db2.gz PICXEWMGVDTCFI-HNNXBMFYSA-N 1 3 306.410 0.780 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C)C(N)=O ZINC001179238914 770973920 /nfs/dbraw/zinc/97/39/20/770973920.db2.gz GZBKNPJUSJMFSE-IHRRRGAJSA-N 1 3 324.469 0.704 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[N@H+](C)CC)[C@H]2C)C1=O ZINC001179861397 771030478 /nfs/dbraw/zinc/03/04/78/771030478.db2.gz UMMLMXUBFCXFHJ-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@H]2C)C1=O ZINC001179861397 771030484 /nfs/dbraw/zinc/03/04/84/771030484.db2.gz UMMLMXUBFCXFHJ-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001179983089 771043224 /nfs/dbraw/zinc/04/32/24/771043224.db2.gz KTGNWXKXWFCHGJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001179983383 771043683 /nfs/dbraw/zinc/04/36/83/771043683.db2.gz ZGWPNYHHRVDLLB-GJZGRUSLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001180135882 771061927 /nfs/dbraw/zinc/06/19/27/771061927.db2.gz NPZLTIKHPVFWRG-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001180124436 771066282 /nfs/dbraw/zinc/06/62/82/771066282.db2.gz WJLXJXXTEYKLRB-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180204643 771073854 /nfs/dbraw/zinc/07/38/54/771073854.db2.gz WTVMJUGVZDOBIZ-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)[C@@H]1C ZINC001180221629 771076295 /nfs/dbraw/zinc/07/62/95/771076295.db2.gz BNQKHEWLSUELAJ-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CN(C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001151066709 771360184 /nfs/dbraw/zinc/36/01/84/771360184.db2.gz YCTKUGTYNQJVEK-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CN(C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001151066709 771360190 /nfs/dbraw/zinc/36/01/90/771360190.db2.gz YCTKUGTYNQJVEK-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nc(C)c(C[NH2+]CCNC(=O)[C@@H](C)CN2CCOCC2)o1 ZINC001151159956 771465805 /nfs/dbraw/zinc/46/58/05/771465805.db2.gz VRXFJSKPPBYVKB-LBPRGKRZSA-N 1 3 324.425 0.466 20 0 DCADHO Cc1nc(C)c(CNCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001151159956 771465807 /nfs/dbraw/zinc/46/58/07/771465807.db2.gz VRXFJSKPPBYVKB-LBPRGKRZSA-N 1 3 324.425 0.466 20 0 DCADHO CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001157593523 771638685 /nfs/dbraw/zinc/63/86/85/771638685.db2.gz VMTUTJCDEARXLV-MNOVXSKESA-N 1 3 301.387 0.605 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001183510332 771657634 /nfs/dbraw/zinc/65/76/34/771657634.db2.gz WFFOFYRSCCWNMA-CKEIUWERSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001157721578 771659457 /nfs/dbraw/zinc/65/94/57/771659457.db2.gz ZWCDROZZAWTENX-YESZJQIVSA-N 1 3 317.433 0.969 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1)N(C)C ZINC001183582107 771670764 /nfs/dbraw/zinc/67/07/64/771670764.db2.gz SVAIWJOJRUDMMY-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001157841513 771679078 /nfs/dbraw/zinc/67/90/78/771679078.db2.gz GGGKWAMPMGRSIM-AGIUHOORSA-N 1 3 313.442 0.892 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900071 771689397 /nfs/dbraw/zinc/68/93/97/771689397.db2.gz FJQVYUCGLQHJLW-NEPJUHHUSA-N 1 3 307.385 0.522 20 0 DCADHO C[C@@]1(CF)CC(F)(F)CN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157951967 771701356 /nfs/dbraw/zinc/70/13/56/771701356.db2.gz JGYRYTJLRATPAH-KGYLQXTDSA-N 1 3 305.344 0.781 20 0 DCADHO O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161268 771731580 /nfs/dbraw/zinc/73/15/80/771731580.db2.gz ORZRMXDOXNFAGB-DJIMGWMZSA-N 1 3 307.438 0.890 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160614 771731967 /nfs/dbraw/zinc/73/19/67/771731967.db2.gz LLJVPSYMKHKWRB-GRDNDAEWSA-N 1 3 324.469 0.609 20 0 DCADHO c1nc(N2CCO[C@H](C[NH+]3CCCC3)C2)nc2c1CNCC2 ZINC001158304010 771756108 /nfs/dbraw/zinc/75/61/08/771756108.db2.gz JGSYLRYEBMNLNR-CQSZACIVSA-N 1 3 303.410 0.423 20 0 DCADHO O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327694 771760131 /nfs/dbraw/zinc/76/01/31/771760131.db2.gz MUYJTXQAOJCVML-FIDHJVLJSA-N 1 3 313.401 0.461 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158506184 771783724 /nfs/dbraw/zinc/78/37/24/771783724.db2.gz JERTXXHTTMYMSO-HIFRSBDPSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158506184 771783728 /nfs/dbraw/zinc/78/37/28/771783728.db2.gz JERTXXHTTMYMSO-HIFRSBDPSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@H](N)CCC[NH3+])C[C@H]3O2)n1 ZINC001158694043 771808253 /nfs/dbraw/zinc/80/82/53/771808253.db2.gz QYYVWTPXAYGONJ-QNWHQSFQSA-N 1 3 323.397 0.123 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001184953928 771846169 /nfs/dbraw/zinc/84/61/69/771846169.db2.gz LNDRKEQGBZMYEX-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CCCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400736 771911821 /nfs/dbraw/zinc/91/18/21/771911821.db2.gz GPLNJYORAAJSLN-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408424 771916316 /nfs/dbraw/zinc/91/63/16/771916316.db2.gz SZXMSLWVRKAJDL-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001185416149 771917703 /nfs/dbraw/zinc/91/77/03/771917703.db2.gz OUMZHSBEYZMQEN-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](Nc1ccc(OCC2CC[NH2+]CC2)nn1)[C@H]1CNCCO1 ZINC001159501089 771920246 /nfs/dbraw/zinc/92/02/46/771920246.db2.gz GZDGIWZWQUSZLY-GXTWGEPZSA-N 1 3 321.425 0.644 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1)N(C)C ZINC001185716120 771948662 /nfs/dbraw/zinc/94/86/62/771948662.db2.gz PTKWMODPDGNDCX-FRRDWIJNSA-N 1 3 319.396 0.941 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185762655 771953081 /nfs/dbraw/zinc/95/30/81/771953081.db2.gz OOVLKTFQEIEYKX-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CN(C)c1cc(Cl)nc(C(F)(F)N[C@H](N)CCC[NH3+])n1 ZINC001159780180 771956808 /nfs/dbraw/zinc/95/68/08/771956808.db2.gz SQEMLXBTVFJGHD-QMMMGPOBSA-N 1 3 308.764 0.859 20 0 DCADHO CN(C)c1cc(C(F)(F)N[C@@H](N)CCC[NH3+])nc(Cl)n1 ZINC001159789999 771959106 /nfs/dbraw/zinc/95/91/06/771959106.db2.gz ZMEHTNAZJAUEBA-MRVPVSSYSA-N 1 3 308.764 0.859 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001159855008 771969133 /nfs/dbraw/zinc/96/91/33/771969133.db2.gz ZQCJXVSPHZLTHU-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001159861698 771969982 /nfs/dbraw/zinc/96/99/82/771969982.db2.gz QFLLWLYYLNTINX-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCCCC1)C1CC1 ZINC001159917159 771977640 /nfs/dbraw/zinc/97/76/40/771977640.db2.gz WCRXFZXEYJJDOR-MRXNPFEDSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C1CC1 ZINC001159932405 771980502 /nfs/dbraw/zinc/98/05/02/771980502.db2.gz QLSLDAMLSTZEKN-INIZCTEOSA-N 1 3 324.469 0.433 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)nn1 ZINC001159997787 771986570 /nfs/dbraw/zinc/98/65/70/771986570.db2.gz YFODOKPQMSKVNW-UHFFFAOYSA-N 1 3 321.425 0.565 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F)C1CCC1 ZINC001159997136 771986801 /nfs/dbraw/zinc/98/68/01/771986801.db2.gz HMMZXXGHMPCUKE-ZDUSSCGKSA-N 1 3 319.396 0.991 20 0 DCADHO N[C@@H](C(=O)N1CC(OCc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160491105 772049592 /nfs/dbraw/zinc/04/95/92/772049592.db2.gz SVXPSWHELXDARB-MRXNPFEDSA-N 1 3 303.406 0.741 20 0 DCADHO CN(C)C1(C)CN(C(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)C1 ZINC001160645210 772085725 /nfs/dbraw/zinc/08/57/25/772085725.db2.gz PKVRLMVJKMHGGA-LBPRGKRZSA-N 1 3 313.442 0.988 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1Cc2cc(Br)cnc2C1 ZINC001160663354 772090334 /nfs/dbraw/zinc/09/03/34/772090334.db2.gz DKDPTUDJWBVOKZ-SNVBAGLBSA-N 1 3 313.199 0.753 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001186817336 772095751 /nfs/dbraw/zinc/09/57/51/772095751.db2.gz QAVPYOFJYDGIQO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001186817336 772095759 /nfs/dbraw/zinc/09/57/59/772095759.db2.gz QAVPYOFJYDGIQO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO COC(=O)C[C@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160831916 772117563 /nfs/dbraw/zinc/11/75/63/772117563.db2.gz FKUFSCUZZVZFGX-ZIAGYGMSSA-N 1 3 323.437 0.662 20 0 DCADHO COC(=O)C[C@H]1CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160831916 772117564 /nfs/dbraw/zinc/11/75/64/772117564.db2.gz FKUFSCUZZVZFGX-ZIAGYGMSSA-N 1 3 323.437 0.662 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(OC)nn1)N(C)C ZINC001160883676 772132018 /nfs/dbraw/zinc/13/20/18/772132018.db2.gz SNHZVKZQSSLMBC-CYBMUJFWSA-N 1 3 309.414 0.421 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001160883652 772132254 /nfs/dbraw/zinc/13/22/54/772132254.db2.gz RMEYLAHTAUAIER-CQSZACIVSA-N 1 3 308.426 0.321 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCN(C(C)C)C1=O)N(C)C ZINC001160889730 772132735 /nfs/dbraw/zinc/13/27/35/772132735.db2.gz QPCOTAJTTAXXQD-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N(CCO)CC(F)(F)F ZINC001160909027 772137090 /nfs/dbraw/zinc/13/70/90/772137090.db2.gz JATDPYFBEUFAMS-JTQLQIEISA-N 1 3 309.332 0.244 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N(CCO)CC(F)(F)F ZINC001160909027 772137092 /nfs/dbraw/zinc/13/70/92/772137092.db2.gz JATDPYFBEUFAMS-JTQLQIEISA-N 1 3 309.332 0.244 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971529 772145015 /nfs/dbraw/zinc/14/50/15/772145015.db2.gz IKXCDMCGWDQYSN-UWVGGRQHSA-N 1 3 321.368 0.501 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001187232179 772150072 /nfs/dbraw/zinc/15/00/72/772150072.db2.gz WQLVNYKOQCQDGG-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001187290893 772161235 /nfs/dbraw/zinc/16/12/35/772161235.db2.gz BDMYRJJUWAUPNX-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](O)C[N@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161207469 772184926 /nfs/dbraw/zinc/18/49/26/772184926.db2.gz ULVPHDBPXUXGBT-GJZGRUSLSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161207469 772184928 /nfs/dbraw/zinc/18/49/28/772184928.db2.gz ULVPHDBPXUXGBT-GJZGRUSLSA-N 1 3 309.454 0.990 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245304 772190267 /nfs/dbraw/zinc/19/02/67/772190267.db2.gz CJXJWZDZILJMAR-HOCLYGCPSA-N 1 3 309.385 0.820 20 0 DCADHO N[C@@]1(C(=O)N2CC[C@@](F)(C[NH3+])C2)CCc2cc(F)ccc2C1 ZINC001161247129 772190792 /nfs/dbraw/zinc/19/07/92/772190792.db2.gz XNZLLISOQPAVKH-CVEARBPZSA-N 1 3 309.360 0.911 20 0 DCADHO N[C@]1(C(=O)N2CC[C@](F)(C[NH3+])C2)CCc2cc(F)ccc2C1 ZINC001161247132 772191228 /nfs/dbraw/zinc/19/12/28/772191228.db2.gz XNZLLISOQPAVKH-JKSUJKDBSA-N 1 3 309.360 0.911 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(N2CCCOC2=O)CC1 ZINC001161264113 772193492 /nfs/dbraw/zinc/19/34/92/772193492.db2.gz JEGBWRFHPXWEAU-ZDUSSCGKSA-N 1 3 312.414 0.276 20 0 DCADHO NC1(C(=O)N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC(F)C1 ZINC001161275948 772195383 /nfs/dbraw/zinc/19/53/83/772195383.db2.gz JWMSTGRYDODPOQ-BBBYJDLNSA-N 1 3 306.385 0.992 20 0 DCADHO Cc1cc(O[C@@H]2CCCN(C(=O)[C@@H](N)CCC[NH3+])C2)ncn1 ZINC001161308642 772200444 /nfs/dbraw/zinc/20/04/44/772200444.db2.gz GNJZHWUNMQATPK-OLZOCXBDSA-N 1 3 307.398 0.221 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC001161374188 772213532 /nfs/dbraw/zinc/21/35/32/772213532.db2.gz UNBMNFIBNWDTCK-AEGPPILISA-N 1 3 323.462 0.994 20 0 DCADHO Cc1cnccc1O[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161386008 772214909 /nfs/dbraw/zinc/21/49/09/772214909.db2.gz DRZPLIXLTCIDFG-KBPBESRZSA-N 1 3 306.410 0.826 20 0 DCADHO Cc1ccc(CN(C(=O)[C@@H](N)CN)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397106 772217066 /nfs/dbraw/zinc/21/70/66/772217066.db2.gz SIQBWLXBOQYMLJ-JYJNAYRXSA-N 1 3 304.438 0.880 20 0 DCADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)C[C@H](O)C[NH3+])CC1 ZINC001161436157 772223320 /nfs/dbraw/zinc/22/33/20/772223320.db2.gz GQPDFRWOUUMXNJ-INIZCTEOSA-N 1 3 323.412 0.958 20 0 DCADHO N[C@]1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CCc2cc(F)ccc2C1 ZINC001161509166 772236838 /nfs/dbraw/zinc/23/68/38/772236838.db2.gz IJNWZNAUHWVLCT-WMLDXEAASA-N 1 3 319.380 0.198 20 0 DCADHO N[C@]1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CCc2cc(F)ccc2C1 ZINC001161509162 772237093 /nfs/dbraw/zinc/23/70/93/772237093.db2.gz IJNWZNAUHWVLCT-RHSMWYFYSA-N 1 3 319.380 0.198 20 0 DCADHO C[C@@H]1C(=O)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C12CCCC2 ZINC001161517436 772238356 /nfs/dbraw/zinc/23/83/56/772238356.db2.gz QEWSRKZIHYDIHH-CKEIUWERSA-N 1 3 319.449 0.936 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187894422 772238634 /nfs/dbraw/zinc/23/86/34/772238634.db2.gz HWWQZYSBSZDNNH-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO COC(=O)[C@H]1CCN(C(=O)[C@H](N)CCC[NH3+])[C@H]1c1ccccc1 ZINC001161564936 772246359 /nfs/dbraw/zinc/24/63/59/772246359.db2.gz VOOQBBDLRIRAFQ-ZNMIVQPWSA-N 1 3 319.405 0.815 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001187921726 772248274 /nfs/dbraw/zinc/24/82/74/772248274.db2.gz UWIMUUBDLYQMQJ-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001187921480 772248763 /nfs/dbraw/zinc/24/87/63/772248763.db2.gz JNVXFYWGSBLHJY-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921745 772249242 /nfs/dbraw/zinc/24/92/42/772249242.db2.gz WDUAUAVATHRACC-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001188158553 772277448 /nfs/dbraw/zinc/27/74/48/772277448.db2.gz SUYCXFMAASIWLG-CQSZACIVSA-N 1 3 307.442 0.493 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001188158250 772277496 /nfs/dbraw/zinc/27/74/96/772277496.db2.gz JNORHYQSPFIYBS-CABCVRRESA-N 1 3 324.469 0.526 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001188985938 772397919 /nfs/dbraw/zinc/39/79/19/772397919.db2.gz XQCVXWWLEJKNPF-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163223301 772484564 /nfs/dbraw/zinc/48/45/64/772484564.db2.gz GYAWMVPDWCURTC-MRXNPFEDSA-N 1 3 319.453 0.890 20 0 DCADHO NCc1cc(N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)ncn1 ZINC001163454929 772527476 /nfs/dbraw/zinc/52/74/76/772527476.db2.gz AMPGMCWSWJOZLG-ZDUSSCGKSA-N 1 3 306.414 0.467 20 0 DCADHO CC(C)N1CCN(c2cncc(N3CC[NH2+]CC3)n2)C[C@H]1C ZINC001165199101 772704028 /nfs/dbraw/zinc/70/40/28/772704028.db2.gz HQRGFQSAFNEQLU-CQSZACIVSA-N 1 3 304.442 0.805 20 0 DCADHO CN1CCc2nc(Cl)nc(-n3ncc4c3CC[NH2+]C4)c2C1 ZINC001165223228 772707211 /nfs/dbraw/zinc/70/72/11/772707211.db2.gz KXOFHMZOQBOQOW-UHFFFAOYSA-N 1 3 304.785 0.949 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)C1CC1 ZINC001165485540 772742861 /nfs/dbraw/zinc/74/28/61/772742861.db2.gz YPHZXTIJNXFZST-ZIAGYGMSSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001165617008 772750139 /nfs/dbraw/zinc/75/01/39/772750139.db2.gz GHCPFVIYKHELRT-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCn2cncn2)CC1)N(C)C ZINC001165718984 772757618 /nfs/dbraw/zinc/75/76/18/772757618.db2.gz VWLIALPTWMKPEQ-CQSZACIVSA-N 1 3 322.457 0.494 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001166010017 772778481 /nfs/dbraw/zinc/77/84/81/772778481.db2.gz FCAUWDGIBWEEKU-OAHLLOKOSA-N 1 3 307.442 0.967 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668267 772837163 /nfs/dbraw/zinc/83/71/63/772837163.db2.gz XGAQAMGYCDZNPE-CYBMUJFWSA-N 1 3 308.430 0.236 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001166678567 772839105 /nfs/dbraw/zinc/83/91/05/772839105.db2.gz WKUKQXHGILHXIN-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001166690796 772840976 /nfs/dbraw/zinc/84/09/76/772840976.db2.gz GAPVZZPPNSYUKK-OCCSQVGLSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001166690796 772840979 /nfs/dbraw/zinc/84/09/79/772840979.db2.gz GAPVZZPPNSYUKK-OCCSQVGLSA-N 1 3 321.425 0.279 20 0 DCADHO CN1CC[C@@H]([NH2+]CCCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001166736058 772854285 /nfs/dbraw/zinc/85/42/85/772854285.db2.gz BSCPCWAQRTZCMJ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851495 772870626 /nfs/dbraw/zinc/87/06/26/772870626.db2.gz BSORDLVTOBLCEH-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(OC)nn1)N(C)C ZINC001166858389 772871587 /nfs/dbraw/zinc/87/15/87/772871587.db2.gz SNHZVKZQSSLMBC-ZDUSSCGKSA-N 1 3 309.414 0.421 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2)CC(C)(C)C ZINC001203427098 772906331 /nfs/dbraw/zinc/90/63/31/772906331.db2.gz SOJYDHWEUMODDQ-CHWSQXEVSA-N 1 3 324.469 0.467 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203640656 772916990 /nfs/dbraw/zinc/91/69/90/772916990.db2.gz GFSDOHZQINJBLO-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204798716 772962623 /nfs/dbraw/zinc/96/26/23/772962623.db2.gz MLRJRHMKDKUVIB-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001205516190 772997662 /nfs/dbraw/zinc/99/76/62/772997662.db2.gz RXYKDCBALQIYRK-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001205561431 773001165 /nfs/dbraw/zinc/00/11/65/773001165.db2.gz HWRQNECKDJGUOX-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(-n3nccn3)cc2)C1 ZINC001205736462 773015028 /nfs/dbraw/zinc/01/50/28/773015028.db2.gz YIDMFAYZSREFQI-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-n3nccn3)cc2)C1 ZINC001205736462 773015033 /nfs/dbraw/zinc/01/50/33/773015033.db2.gz YIDMFAYZSREFQI-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-n3nccn3)cc2)C1 ZINC001205736462 773015037 /nfs/dbraw/zinc/01/50/37/773015037.db2.gz YIDMFAYZSREFQI-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC001193279552 773037571 /nfs/dbraw/zinc/03/75/71/773037571.db2.gz OZSAOKZZQMYDOQ-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC001193279552 773037575 /nfs/dbraw/zinc/03/75/75/773037575.db2.gz OZSAOKZZQMYDOQ-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1)C(N)=O ZINC001206301713 773064902 /nfs/dbraw/zinc/06/49/02/773064902.db2.gz PIHYSXAFSKTZDE-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO O=C(C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)N1CCC1 ZINC001206928893 773137680 /nfs/dbraw/zinc/13/76/80/773137680.db2.gz MIPSXJHAUDHNFR-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO Cn1cc(N2C[C@@H]3CN(CC(C)(C)C[NH+](C)C)C[C@@H]3C2=O)cn1 ZINC001207282064 773189737 /nfs/dbraw/zinc/18/97/37/773189737.db2.gz LEENUMGAYSOFQX-ZFWWWQNUSA-N 1 3 319.453 0.903 20 0 DCADHO COCCN1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784972 773301576 /nfs/dbraw/zinc/30/15/76/773301576.db2.gz ZPDQJWFATRWPDR-GDBMZVCRSA-N 1 3 320.437 0.991 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC)C1 ZINC001208279363 773423061 /nfs/dbraw/zinc/42/30/61/773423061.db2.gz OLHAELZFWBITFU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC)C1 ZINC001208279363 773423063 /nfs/dbraw/zinc/42/30/63/773423063.db2.gz OLHAELZFWBITFU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208358418 773442446 /nfs/dbraw/zinc/44/24/46/773442446.db2.gz KHOUTWXZMUYZDE-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208358418 773442450 /nfs/dbraw/zinc/44/24/50/773442450.db2.gz KHOUTWXZMUYZDE-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208444466 773463747 /nfs/dbraw/zinc/46/37/47/773463747.db2.gz CGNKIIZJONNTHX-HUUCEWRRSA-N 1 3 315.458 0.428 20 0 DCADHO Cc1ccc(CCN2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001195859437 773486557 /nfs/dbraw/zinc/48/65/57/773486557.db2.gz JEGKEKDZFTXDDD-IAGOWNOFSA-N 1 3 319.449 0.651 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC001195870620 773494775 /nfs/dbraw/zinc/49/47/75/773494775.db2.gz JBXXGXJMBWDAAF-IAGOWNOFSA-N 1 3 319.449 0.732 20 0 DCADHO COCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208640036 773510507 /nfs/dbraw/zinc/51/05/07/773510507.db2.gz XQBZOCAKYHVZJF-GYMHETDLSA-N 1 3 323.437 0.077 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208747862 773523189 /nfs/dbraw/zinc/52/31/89/773523189.db2.gz DOLAICVDAMSNSU-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(=O)N1CCC[C@H](C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)C1 ZINC001208981792 773547358 /nfs/dbraw/zinc/54/73/58/773547358.db2.gz LGBBIUKRRJCUQS-MRXNPFEDSA-N 1 3 324.469 0.341 20 0 DCADHO CC(=O)N1CCC[C@H](C[N@H+]2CCC(=O)N(CCN(C)C)CC2)C1 ZINC001208981792 773547362 /nfs/dbraw/zinc/54/73/62/773547362.db2.gz LGBBIUKRRJCUQS-MRXNPFEDSA-N 1 3 324.469 0.341 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445982 773604974 /nfs/dbraw/zinc/60/49/74/773604974.db2.gz POUWHRJBNWPMLB-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCc1nc([C@H](C)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209455466 773607188 /nfs/dbraw/zinc/60/71/88/773607188.db2.gz SVUZRGGGZSZIDG-QWHCGFSZSA-N 1 3 322.457 0.960 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001209643873 773629312 /nfs/dbraw/zinc/62/93/12/773629312.db2.gz XFUCTQVMWSRIJI-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001210482988 773712024 /nfs/dbraw/zinc/71/20/24/773712024.db2.gz UFVFJVFZPJBFHP-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC001210482988 773712028 /nfs/dbraw/zinc/71/20/28/773712028.db2.gz UFVFJVFZPJBFHP-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210492994 773713599 /nfs/dbraw/zinc/71/35/99/773713599.db2.gz GXJHHTHNWRVDGL-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492994 773713601 /nfs/dbraw/zinc/71/36/01/773713601.db2.gz GXJHHTHNWRVDGL-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001210674038 773728552 /nfs/dbraw/zinc/72/85/52/773728552.db2.gz LYYCUMOFACCYOE-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001210674038 773728558 /nfs/dbraw/zinc/72/85/58/773728558.db2.gz LYYCUMOFACCYOE-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001210750355 773734299 /nfs/dbraw/zinc/73/42/99/773734299.db2.gz CIMHGKSIRMFMPX-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCc1cncn1C)[NH+]1CCCC1 ZINC001152471614 773945029 /nfs/dbraw/zinc/94/50/29/773945029.db2.gz MUNNPJOKIJSJMX-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214665627 774006497 /nfs/dbraw/zinc/00/64/97/774006497.db2.gz HFLDBTHZYDRUAN-LXTVHRRPSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214665627 774006503 /nfs/dbraw/zinc/00/65/03/774006503.db2.gz HFLDBTHZYDRUAN-LXTVHRRPSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215217352 774050894 /nfs/dbraw/zinc/05/08/94/774050894.db2.gz IDOVXNNPPDUPCI-XNRPHZJLSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456518 774073297 /nfs/dbraw/zinc/07/32/97/774073297.db2.gz ZLZRKKNVPMHWPK-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215536600 774081957 /nfs/dbraw/zinc/08/19/57/774081957.db2.gz URUCCDUFESLWCJ-VNHYZAJKSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001215563292 774082837 /nfs/dbraw/zinc/08/28/37/774082837.db2.gz DQTDFYHZWUQRGA-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001215989791 774097362 /nfs/dbraw/zinc/09/73/62/774097362.db2.gz MKMWZNCQURNABO-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001216001917 774098425 /nfs/dbraw/zinc/09/84/25/774098425.db2.gz KIGQOONYAPLNEV-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001216002243 774098571 /nfs/dbraw/zinc/09/85/71/774098571.db2.gz PKJXDPCYJHTDNW-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)C1=O ZINC001216226470 774109812 /nfs/dbraw/zinc/10/98/12/774109812.db2.gz VHAYKJAIMFOOON-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C)C1=O ZINC001216226470 774109816 /nfs/dbraw/zinc/10/98/16/774109816.db2.gz VHAYKJAIMFOOON-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216464216 774118464 /nfs/dbraw/zinc/11/84/64/774118464.db2.gz NDGBMCXWJFXBNI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001216503054 774120743 /nfs/dbraw/zinc/12/07/43/774120743.db2.gz LRHIKPYFKLWWDI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO F[C@H]1C[NH2+]CCC[C@@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001217945505 774207220 /nfs/dbraw/zinc/20/72/20/774207220.db2.gz DJBDJOVQZSUZAI-AAEUAGOBSA-N 1 3 305.357 0.844 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2CCCC[NH2+]C2)c1 ZINC001217973119 774207353 /nfs/dbraw/zinc/20/73/53/774207353.db2.gz BZPCIOCVBLTFTA-KBPBESRZSA-N 1 3 321.421 0.871 20 0 DCADHO CCOC(=O)c1cccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001218647470 774272442 /nfs/dbraw/zinc/27/24/42/774272442.db2.gz JIHARNNOAFYQTO-CYBMUJFWSA-N 1 3 306.366 0.524 20 0 DCADHO COC[C@H](C)Oc1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)[nH]n1 ZINC001218720961 774288675 /nfs/dbraw/zinc/28/86/75/774288675.db2.gz QJIBEFRHMQAVKI-TVQRCGJNSA-N 1 3 311.386 0.089 20 0 DCADHO N[C@@H](C(=O)Nc1cncc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218746674 774295397 /nfs/dbraw/zinc/29/53/97/774295397.db2.gz MDQQNRZYVRPTOU-OAHLLOKOSA-N 1 3 319.409 0.184 20 0 DCADHO N[C@@H](C(=O)Nc1cc2n(n1)CC(F)(F)CO2)C1CC[NH2+]CC1 ZINC001218751596 774297020 /nfs/dbraw/zinc/29/70/20/774297020.db2.gz LMPUHIVYMJSYIQ-LLVKDONJSA-N 1 3 315.324 0.176 20 0 DCADHO COc1nc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(C)c(OC)n1 ZINC001218768631 774300257 /nfs/dbraw/zinc/30/02/57/774300257.db2.gz QYVHRGZFTVITPV-SNVBAGLBSA-N 1 3 309.370 0.068 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218873853 774319310 /nfs/dbraw/zinc/31/93/10/774319310.db2.gz POZOGNBAWTZFRI-AWEZNQCLSA-N 1 3 319.409 0.018 20 0 DCADHO COC(=O)Cc1c(F)ccc(NC(=O)[C@H](N)CCC[NH3+])c1F ZINC001218928411 774328840 /nfs/dbraw/zinc/32/88/40/774328840.db2.gz AOPWKFGAHPTMOR-SNVBAGLBSA-N 1 3 315.320 0.685 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCCO[C@H](C[NH2+]CCF)C1 ZINC001200634935 774380992 /nfs/dbraw/zinc/38/09/92/774380992.db2.gz OEDXLXTVUJQDFU-KGLIPLIRSA-N 1 3 321.412 0.843 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345196 774458205 /nfs/dbraw/zinc/45/82/05/774458205.db2.gz AORQXEUJGRVBBJ-FZMZJTMJSA-N 1 3 306.410 0.962 20 0 DCADHO CCOC(=O)c1cc(N)cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001219524120 774522703 /nfs/dbraw/zinc/52/27/03/774522703.db2.gz BAPXCOIBTBKBPC-AWEZNQCLSA-N 1 3 320.393 0.711 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219534103 774526699 /nfs/dbraw/zinc/52/66/99/774526699.db2.gz TXPNYXZNULRQQB-NRUUGDAUSA-N 1 3 319.361 0.353 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CCOC)C1 ZINC001201678854 774536771 /nfs/dbraw/zinc/53/67/71/774536771.db2.gz QOANJODQGASKLJ-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO Cc1cnc(CCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)nc1 ZINC001219604631 774554194 /nfs/dbraw/zinc/55/41/94/774554194.db2.gz UYJIHOIOSBEPNT-AWEZNQCLSA-N 1 3 307.442 0.939 20 0 DCADHO CN(C)CCN1CCN(C)C2(CC[NH+](CC3CC3)CC2)C1=O ZINC001201917934 774579794 /nfs/dbraw/zinc/57/97/94/774579794.db2.gz DQOWFEREJJKKCU-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO N[C@H](C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1CCOCC1 ZINC001219743625 774596376 /nfs/dbraw/zinc/59/63/76/774596376.db2.gz HYEPURNDPBNWIH-KBPBESRZSA-N 1 3 311.426 0.158 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202164981 774609875 /nfs/dbraw/zinc/60/98/75/774609875.db2.gz NRCAJBISFHIPFT-HNNXBMFYSA-N 1 3 315.458 0.570 20 0 DCADHO COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202163894 774609995 /nfs/dbraw/zinc/60/99/95/774609995.db2.gz JSFMIIUZPCAFLD-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1csc2c1CCNC2 ZINC001219834295 774624398 /nfs/dbraw/zinc/62/43/98/774624398.db2.gz PDQPEGNQWQJNPK-BREBYQMCSA-N 1 3 307.419 0.501 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC(NCC(=O)Nc2ccon2)CC1 ZINC001202331684 774638023 /nfs/dbraw/zinc/63/80/23/774638023.db2.gz WPOOMPALJBPDMG-UHFFFAOYSA-N 1 3 323.397 0.145 20 0 DCADHO COc1cc(CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)cc(OC)c1 ZINC001219908124 774643468 /nfs/dbraw/zinc/64/34/68/774643468.db2.gz SETRBPFCQJTOLK-INIZCTEOSA-N 1 3 321.421 0.689 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001220106350 774695374 /nfs/dbraw/zinc/69/53/74/774695374.db2.gz KNKBZRSAGSPGLI-NSHDSACASA-N 1 3 304.329 0.356 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495882 774723759 /nfs/dbraw/zinc/72/37/59/774723759.db2.gz KASMFPPTSDHRDF-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269243 774750952 /nfs/dbraw/zinc/75/09/52/774750952.db2.gz UKLMTYPMDFNGTQ-SGFLJFKBSA-N 1 3 309.454 0.846 20 0 DCADHO O=C(NCc1cc(F)cc2c1OCOC2)[C@H]1C[NH2+]CC12CNC2 ZINC001220290844 774759819 /nfs/dbraw/zinc/75/98/19/774759819.db2.gz FXYJHEAMZLFXMJ-CYBMUJFWSA-N 1 3 321.352 0.117 20 0 DCADHO CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)NCc1ncn2c1CNCCC2 ZINC001220312854 774766723 /nfs/dbraw/zinc/76/67/23/774766723.db2.gz HIBOPFBLKFISNZ-BPNCWPANSA-N 1 3 303.410 0.237 20 0 DCADHO [NH3+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCc1ncn2c1CNCCC2 ZINC001220312758 774767333 /nfs/dbraw/zinc/76/73/33/774767333.db2.gz FNALJINDIJALDQ-FDRIWYBQSA-N 1 3 303.410 0.366 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114408902 774845491 /nfs/dbraw/zinc/84/54/91/774845491.db2.gz CLAXDCFRLDJICS-JJXSEGSLSA-N 1 3 309.454 0.800 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)N(C)C ZINC001114408902 774845501 /nfs/dbraw/zinc/84/55/01/774845501.db2.gz CLAXDCFRLDJICS-JJXSEGSLSA-N 1 3 309.454 0.800 20 0 DCADHO N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccc2ccccc2n1 ZINC001220594533 774859825 /nfs/dbraw/zinc/85/98/25/774859825.db2.gz ICMPDBMGODGVEH-FZKQIMNGSA-N 1 3 323.400 0.875 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680609 774888138 /nfs/dbraw/zinc/88/81/38/774888138.db2.gz KJAUNTNFXGOYEH-YJNKXOJESA-N 1 3 310.442 0.409 20 0 DCADHO O=C(NCC1Oc2ccccc2O1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220708781 774897221 /nfs/dbraw/zinc/89/72/21/774897221.db2.gz HEBANDRCCYIZIL-GFCCVEGCSA-N 1 3 317.389 0.774 20 0 DCADHO O=C(NCC1Oc2ccccc2O1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220708781 774897228 /nfs/dbraw/zinc/89/72/28/774897228.db2.gz HEBANDRCCYIZIL-GFCCVEGCSA-N 1 3 317.389 0.774 20 0 DCADHO CCOc1cc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)ccc1O ZINC001220816217 774922830 /nfs/dbraw/zinc/92/28/30/774922830.db2.gz CNJBXXBXQAPSQA-HNNXBMFYSA-N 1 3 307.394 0.734 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951296 774960997 /nfs/dbraw/zinc/96/09/97/774960997.db2.gz WSLZLTHJDVZQAB-HNNXBMFYSA-N 1 3 303.341 0.561 20 0 DCADHO CN[C@H](C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H](C)O ZINC001221034267 774983532 /nfs/dbraw/zinc/98/35/32/774983532.db2.gz NPHILVOYFSIYKP-RLCCDNCMSA-N 1 3 323.412 0.951 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001221062857 774987471 /nfs/dbraw/zinc/98/74/71/774987471.db2.gz CTLUMHOOGZWNDC-ARFHVFGLSA-N 1 3 303.406 0.348 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091072 774992421 /nfs/dbraw/zinc/99/24/21/774992421.db2.gz APULGGWUJULQBT-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@@H](O)C1 ZINC001221091072 774992423 /nfs/dbraw/zinc/99/24/23/774992423.db2.gz APULGGWUJULQBT-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCC2)[C@@H](O)C1 ZINC001221091072 774992427 /nfs/dbraw/zinc/99/24/27/774992427.db2.gz APULGGWUJULQBT-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NCC1(c2ccncc2)CCOCC1 ZINC001221174938 775016792 /nfs/dbraw/zinc/01/67/92/775016792.db2.gz VOELMZNUSFZPFG-AWEZNQCLSA-N 1 3 306.410 0.312 20 0 DCADHO COCC1(CNC(=O)[C@@H](N)CCCC[NH+](C)C)CCOCC1 ZINC001221176797 775018871 /nfs/dbraw/zinc/01/88/71/775018871.db2.gz NJWHXVIFIUJGBO-AWEZNQCLSA-N 1 3 315.458 0.605 20 0 DCADHO COc1cccnc1[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001221215799 775029406 /nfs/dbraw/zinc/02/94/06/775029406.db2.gz VBQHJGYHDAVASN-LSDHHAIUSA-N 1 3 318.421 0.984 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221247910 775041961 /nfs/dbraw/zinc/04/19/61/775041961.db2.gz BMXZNGTXXXGRNE-RVSPLBMKSA-N 1 3 322.453 0.363 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221308915 775063762 /nfs/dbraw/zinc/06/37/62/775063762.db2.gz AXCPXHVDALKUOM-KBPBESRZSA-N 1 3 318.421 0.898 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1cnn(-c2ccccc2)c(=O)c1 ZINC001221330385 775071016 /nfs/dbraw/zinc/07/10/16/775071016.db2.gz ORSAADVSSNFLNO-ZDUSSCGKSA-N 1 3 301.350 0.237 20 0 DCADHO CC(=O)Nc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001221336130 775072009 /nfs/dbraw/zinc/07/20/09/775072009.db2.gz KYJBASWFJZNNQE-NHYWBVRUSA-N 1 3 316.405 0.631 20 0 DCADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001221394725 775084966 /nfs/dbraw/zinc/08/49/66/775084966.db2.gz FTBDIBZRRYVOJN-ZNMIVQPWSA-N 1 3 324.469 0.086 20 0 DCADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H](N)Cc2c[nH]cn2)c1 ZINC001221403621 775087913 /nfs/dbraw/zinc/08/79/13/775087913.db2.gz CZMPXLNNAPDSRW-KBPBESRZSA-N 1 3 303.366 0.104 20 0 DCADHO C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)CN2)CC1 ZINC001221403089 775088275 /nfs/dbraw/zinc/08/82/75/775088275.db2.gz PNDJXFOVLJBMKX-QWRGUYRKSA-N 1 3 323.359 0.490 20 0 DCADHO COC(=O)[C@H]1CNCCN1Cc1ccccc1N1CC[NH2+]CC1 ZINC001222413897 775344965 /nfs/dbraw/zinc/34/49/65/775344965.db2.gz FPCGUXPTYRFPLZ-MRXNPFEDSA-N 1 3 318.421 0.043 20 0 DCADHO C[NH+](C)CCCC(=O)NCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC001224269160 775551442 /nfs/dbraw/zinc/55/14/42/775551442.db2.gz OIHKYDKBTHQESN-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC ZINC001111233864 775613963 /nfs/dbraw/zinc/61/39/63/775613963.db2.gz XLXKWGPQPFOMLI-BARDWOONSA-N 1 3 313.442 0.057 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC ZINC001111233864 775613968 /nfs/dbraw/zinc/61/39/68/775613968.db2.gz XLXKWGPQPFOMLI-BARDWOONSA-N 1 3 313.442 0.057 20 0 DCADHO CN(C)C1(C(=O)NC2CC[NH+](CCn3cccn3)CC2)CCC1 ZINC001227797857 776007073 /nfs/dbraw/zinc/00/70/73/776007073.db2.gz ODEMKFODMWQYKY-UHFFFAOYSA-N 1 3 319.453 0.948 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254591 776059499 /nfs/dbraw/zinc/05/94/99/776059499.db2.gz BUBRTZNICYDFGO-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC ZINC001229232188 776171814 /nfs/dbraw/zinc/17/18/14/776171814.db2.gz YTNIAVSIEXTJLV-BFHYXJOUSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229693286 776213962 /nfs/dbraw/zinc/21/39/62/776213962.db2.gz QXVXTJSQAJLMHE-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001229693286 776213965 /nfs/dbraw/zinc/21/39/65/776213965.db2.gz QXVXTJSQAJLMHE-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1)C1CC1 ZINC001041357409 777224134 /nfs/dbraw/zinc/22/41/34/777224134.db2.gz HBCVAUYFMSOYSO-DOTOQJQBSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1)C1CC1 ZINC001041357409 777224139 /nfs/dbraw/zinc/22/41/39/777224139.db2.gz HBCVAUYFMSOYSO-DOTOQJQBSA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041846183 777538559 /nfs/dbraw/zinc/53/85/59/777538559.db2.gz ZAQKBKRANKBEQK-NVXWUHKLSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041846183 777538564 /nfs/dbraw/zinc/53/85/64/777538564.db2.gz ZAQKBKRANKBEQK-NVXWUHKLSA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001277981683 945079553 /nfs/dbraw/zinc/07/95/53/945079553.db2.gz OQHUYICSJVZXAE-UONOGXRCSA-N 1 3 308.430 0.199 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001278013925 945097666 /nfs/dbraw/zinc/09/76/66/945097666.db2.gz VSWRBJIFHZIVSJ-GASCZTMLSA-N 1 3 319.453 0.618 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001278013925 945097675 /nfs/dbraw/zinc/09/76/75/945097675.db2.gz VSWRBJIFHZIVSJ-GASCZTMLSA-N 1 3 319.453 0.618 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278026831 945102005 /nfs/dbraw/zinc/10/20/05/945102005.db2.gz BUMJJWHDJPRQGN-CQSZACIVSA-N 1 3 305.426 0.962 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278026831 945102010 /nfs/dbraw/zinc/10/20/10/945102010.db2.gz BUMJJWHDJPRQGN-CQSZACIVSA-N 1 3 305.426 0.962 20 0 DCADHO CC[NH+]1CCC(CN2CCn3c(nnc3C(N)=O)C[C@H]2C)CC1 ZINC001278133585 945149122 /nfs/dbraw/zinc/14/91/22/945149122.db2.gz FTMVOEGCFLMWIL-GFCCVEGCSA-N 1 3 320.441 0.356 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001267018947 939313131 /nfs/dbraw/zinc/31/31/31/939313131.db2.gz TXGSXYKKLLPXLJ-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO Cn1cc(CC[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001267058667 939326447 /nfs/dbraw/zinc/32/64/47/939326447.db2.gz NNAWELVDKUKTPC-CQSZACIVSA-N 1 3 316.409 0.367 20 0 DCADHO CCNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496296600 939576953 /nfs/dbraw/zinc/57/69/53/939576953.db2.gz PQWYOXMBYSQXOV-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496296600 939576955 /nfs/dbraw/zinc/57/69/55/939576955.db2.gz PQWYOXMBYSQXOV-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CCCCNC(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481231366 939654850 /nfs/dbraw/zinc/65/48/50/939654850.db2.gz XOTUGKGORJTANO-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001267758662 939665593 /nfs/dbraw/zinc/66/55/93/939665593.db2.gz OWSBMIWPTPHKEO-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001481246513 939667711 /nfs/dbraw/zinc/66/77/11/939667711.db2.gz WCZMYLKBXYIBFA-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001481251790 939674024 /nfs/dbraw/zinc/67/40/24/939674024.db2.gz FKPCKRJHKFNYAM-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001481251790 939674025 /nfs/dbraw/zinc/67/40/25/939674025.db2.gz FKPCKRJHKFNYAM-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481279440 939703299 /nfs/dbraw/zinc/70/32/99/939703299.db2.gz HTCQEDCUTJYCOH-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481279440 939703300 /nfs/dbraw/zinc/70/33/00/939703300.db2.gz HTCQEDCUTJYCOH-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCOCCO ZINC001268192508 939986925 /nfs/dbraw/zinc/98/69/25/939986925.db2.gz POGMQELFIHCAGN-DZGCQCFKSA-N 1 3 324.425 0.178 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cncn1C)N(C)C ZINC001268375693 940092692 /nfs/dbraw/zinc/09/26/92/940092692.db2.gz WJGHJPQCYXGBNJ-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(C)C ZINC001481849061 940159680 /nfs/dbraw/zinc/15/96/80/940159680.db2.gz VHNDOMUZQPJIQL-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO O[C@@]1(CN[C@H]2CCNC[C@@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001245971746 945302603 /nfs/dbraw/zinc/30/26/03/945302603.db2.gz GYNAFOWXCDTRIC-YESZJQIVSA-N 1 3 307.413 0.913 20 0 DCADHO O[C@@]1(CN[C@H]2CCNC[C@@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001245971746 945302609 /nfs/dbraw/zinc/30/26/09/945302609.db2.gz GYNAFOWXCDTRIC-YESZJQIVSA-N 1 3 307.413 0.913 20 0 DCADHO C[C@@H]1CC[C@H](CNC[C@@H](O)COc2ccc(CCO)cc2)C[NH2+]1 ZINC001245975088 945304042 /nfs/dbraw/zinc/30/40/42/945304042.db2.gz ORFHHTACZMXVPU-DJIMGWMZSA-N 1 3 322.449 0.939 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001268558756 940235401 /nfs/dbraw/zinc/23/54/01/940235401.db2.gz OASTXUVPZCCVEP-GWJCSSMESA-N 1 3 324.469 0.775 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001268558756 940235403 /nfs/dbraw/zinc/23/54/03/940235403.db2.gz OASTXUVPZCCVEP-GWJCSSMESA-N 1 3 324.469 0.775 20 0 DCADHO O[C@H](CNC[C@H]1CCC[NH2+]C1)COCC(F)(F)C(F)F ZINC001245984679 945305725 /nfs/dbraw/zinc/30/57/25/945305725.db2.gz XKNPUQNBPSHZHD-VHSXEESVSA-N 1 3 302.312 0.854 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482102068 940257422 /nfs/dbraw/zinc/25/74/22/940257422.db2.gz IZBUDKYOFZKMQA-DMDPSCGWSA-N 1 3 311.455 0.720 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482102068 940257423 /nfs/dbraw/zinc/25/74/23/940257423.db2.gz IZBUDKYOFZKMQA-DMDPSCGWSA-N 1 3 311.455 0.720 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001482107030 940259472 /nfs/dbraw/zinc/25/94/72/940259472.db2.gz FLOKNWKDUNNSSA-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccccc1OC[C@@H](O)CNC1CN(C2CC[NH2+]CC2)C1 ZINC001245987092 945307211 /nfs/dbraw/zinc/30/72/11/945307211.db2.gz BTWGISPDNPHYOK-KRWDZBQOSA-N 1 3 319.449 0.761 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C)C(=O)NC1CC1 ZINC001268801245 940365507 /nfs/dbraw/zinc/36/55/07/940365507.db2.gz DOJLSLHSYHXWEL-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001269084473 940614020 /nfs/dbraw/zinc/61/40/20/940614020.db2.gz QAZICEAGLVEBRV-KFWWJZLASA-N 1 3 322.453 0.234 20 0 DCADHO O=C(CC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)N1CCNCC1 ZINC001246108025 945337341 /nfs/dbraw/zinc/33/73/41/945337341.db2.gz JVJZRURTYAFYMJ-DLBZAZTESA-N 1 3 316.449 0.891 20 0 DCADHO O=C(CC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)N1CCNCC1 ZINC001246108026 945338018 /nfs/dbraw/zinc/33/80/18/945338018.db2.gz JVJZRURTYAFYMJ-IAGOWNOFSA-N 1 3 316.449 0.891 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@H]1NC1C[C@@H]2COC[C@H](C1)N2 ZINC001246117739 945339046 /nfs/dbraw/zinc/33/90/46/945339046.db2.gz CKZLSUXXSVPOEI-JALIKCBVSA-N 1 3 313.442 0.227 20 0 DCADHO Cn1nncc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001279999171 940722182 /nfs/dbraw/zinc/72/21/82/940722182.db2.gz FRXPRPCSECCUFP-ZFWWWQNUSA-N 1 3 320.441 0.238 20 0 DCADHO COCCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246156740 945351418 /nfs/dbraw/zinc/35/14/18/945351418.db2.gz LLBQDLLEGMZNKB-HNNXBMFYSA-N 1 3 305.422 0.694 20 0 DCADHO CCc1nccn1CC(=O)N1CC2(C1)CC[N@H+](CCN(C)C)C2 ZINC001270202092 940855504 /nfs/dbraw/zinc/85/55/04/940855504.db2.gz GRKYPELKCQVAHC-UHFFFAOYSA-N 1 3 319.453 0.541 20 0 DCADHO CCc1nccn1CC(=O)N1CC2(C1)CC[N@@H+](CCN(C)C)C2 ZINC001270202092 940855507 /nfs/dbraw/zinc/85/55/07/940855507.db2.gz GRKYPELKCQVAHC-UHFFFAOYSA-N 1 3 319.453 0.541 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001482293325 940912479 /nfs/dbraw/zinc/91/24/79/940912479.db2.gz VCROAIYOJHIEBH-QWHCGFSZSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001270745297 940980318 /nfs/dbraw/zinc/98/03/18/940980318.db2.gz YDKNCEVLFMNDNY-GDBMZVCRSA-N 1 3 322.457 0.447 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365890 941023380 /nfs/dbraw/zinc/02/33/80/941023380.db2.gz ZCULWWJZLCUBTA-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482365890 941023385 /nfs/dbraw/zinc/02/33/85/941023385.db2.gz ZCULWWJZLCUBTA-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482397663 941209627 /nfs/dbraw/zinc/20/96/27/941209627.db2.gz CKSHMUKTNDQOCL-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482397663 941209628 /nfs/dbraw/zinc/20/96/28/941209628.db2.gz CKSHMUKTNDQOCL-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCn2cncn2)C1 ZINC001271721004 941430135 /nfs/dbraw/zinc/43/01/35/941430135.db2.gz JBCXCKRMVGNRAU-LSDHHAIUSA-N 1 3 322.457 0.302 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC/C=C\Cl ZINC001482738958 941650422 /nfs/dbraw/zinc/65/04/22/941650422.db2.gz NPYFDCWHSYXPRT-KRAPLUKQSA-N 1 3 303.834 0.680 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC/C=C\Cl ZINC001482738958 941650425 /nfs/dbraw/zinc/65/04/25/941650425.db2.gz NPYFDCWHSYXPRT-KRAPLUKQSA-N 1 3 303.834 0.680 20 0 DCADHO C[C@H](CCNCc1cc2n(n1)CCC2)NC(=O)CC[NH+](C)C ZINC001482868093 941694077 /nfs/dbraw/zinc/69/40/77/941694077.db2.gz PQJBDLPESUOQQB-CYBMUJFWSA-N 1 3 307.442 0.765 20 0 DCADHO CCN1CC[C@@H](NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001483007818 941772978 /nfs/dbraw/zinc/77/29/78/941772978.db2.gz DRLJXSSKGKUGIU-YVSHFGMPSA-N 1 3 322.453 0.209 20 0 DCADHO CCN1CC[C@@H](NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001483007818 941772982 /nfs/dbraw/zinc/77/29/82/941772982.db2.gz DRLJXSSKGKUGIU-YVSHFGMPSA-N 1 3 322.453 0.209 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001496844300 941918550 /nfs/dbraw/zinc/91/85/50/941918550.db2.gz WFJOCQPOSUDMHN-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001496844300 941918553 /nfs/dbraw/zinc/91/85/53/941918553.db2.gz WFJOCQPOSUDMHN-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260218 942215984 /nfs/dbraw/zinc/21/59/84/942215984.db2.gz DGAIDSRCHYRVKQ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@H](CNCC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409829294 942577728 /nfs/dbraw/zinc/57/77/28/942577728.db2.gz DSHLRIHNPPNNHN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001483794944 942957977 /nfs/dbraw/zinc/95/79/77/942957977.db2.gz YPCZOYRXBVKJJE-ZIAGYGMSSA-N 1 3 320.441 0.389 20 0 DCADHO CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001483941859 943040755 /nfs/dbraw/zinc/04/07/55/943040755.db2.gz GFBJZSDJIVSPOP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc(C)n(CCN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001484056416 943124799 /nfs/dbraw/zinc/12/47/99/943124799.db2.gz BEPLQJGOWRFEFW-MRXNPFEDSA-N 1 3 322.457 0.427 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001493769065 943317146 /nfs/dbraw/zinc/31/71/46/943317146.db2.gz ILMAWHSKSCJYEM-OAHLLOKOSA-N 1 3 324.473 0.529 20 0 DCADHO CCCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001484412103 943360191 /nfs/dbraw/zinc/36/01/91/943360191.db2.gz JXWBUECXWVMGRI-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CCCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001484412104 943360652 /nfs/dbraw/zinc/36/06/52/943360652.db2.gz JXWBUECXWVMGRI-SOUVJXGZSA-N 1 3 324.469 0.243 20 0 DCADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N(CCO)CCNCCF ZINC001484486836 943426488 /nfs/dbraw/zinc/42/64/88/943426488.db2.gz BKCSENAYEUGFOZ-UONOGXRCSA-N 1 3 301.406 0.383 20 0 DCADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N(CCO)CCNCCF ZINC001484486836 943426492 /nfs/dbraw/zinc/42/64/92/943426492.db2.gz BKCSENAYEUGFOZ-UONOGXRCSA-N 1 3 301.406 0.383 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001484655248 943495769 /nfs/dbraw/zinc/49/57/69/943495769.db2.gz QHQZMJOFJQEPFM-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCO1 ZINC001484680336 943503359 /nfs/dbraw/zinc/50/33/59/943503359.db2.gz LZEMANCZYVAZSJ-GJZGRUSLSA-N 1 3 315.458 0.426 20 0 DCADHO CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001484689961 943510828 /nfs/dbraw/zinc/51/08/28/943510828.db2.gz JKWLNGLKPDBUQD-CQSZACIVSA-N 1 3 310.398 0.194 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](F)CC)C1 ZINC001484696511 943527313 /nfs/dbraw/zinc/52/73/13/943527313.db2.gz NTQRURBUXLMZKV-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001485159144 943731591 /nfs/dbraw/zinc/73/15/91/943731591.db2.gz UXMWWGOMKZDQBF-QWHCGFSZSA-N 1 3 324.469 0.574 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491456764 944011849 /nfs/dbraw/zinc/01/18/49/944011849.db2.gz JTUUZRRAPGPFAB-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1)[NH+](C)C ZINC001485686918 944082371 /nfs/dbraw/zinc/08/23/71/944082371.db2.gz KUDNWTFZFNLSBB-DZKIICNBSA-N 1 3 321.469 0.991 20 0 DCADHO [NH3+]C1CCN(c2cncc(N[C@H]3CN4CCC3CC4)n2)CC1 ZINC001163386383 944157534 /nfs/dbraw/zinc/15/75/34/944157534.db2.gz QWVJLDBHEASUSS-AWEZNQCLSA-N 1 3 302.426 0.910 20 0 DCADHO CC[NH+]1CCC(CN2CC3(CN(CC(=O)N(C)C)C3)C2)CC1 ZINC001276492670 944191279 /nfs/dbraw/zinc/19/12/79/944191279.db2.gz XUQPAKQIBMPAPQ-UHFFFAOYSA-N 1 3 308.470 0.424 20 0 DCADHO CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N(Cc1c[nH+]ccc1N)C2 ZINC001276713632 944271111 /nfs/dbraw/zinc/27/11/11/944271111.db2.gz QISFNTGVKGAMKL-OCCSQVGLSA-N 1 3 303.410 0.088 20 0 DCADHO C[N@@H+]1CCCN(CCNC(=O)[C@H](N)Cc2cccc(O)c2)CC1 ZINC001220303859 944311243 /nfs/dbraw/zinc/31/12/43/944311243.db2.gz GUZCVZOQFQEPGN-MRXNPFEDSA-N 1 3 320.437 0.016 20 0 DCADHO C[N@H+]1CCCN(CCNC(=O)[C@H](N)Cc2cccc(O)c2)CC1 ZINC001220303859 944311248 /nfs/dbraw/zinc/31/12/48/944311248.db2.gz GUZCVZOQFQEPGN-MRXNPFEDSA-N 1 3 320.437 0.016 20 0 DCADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001486135250 944591049 /nfs/dbraw/zinc/59/10/49/944591049.db2.gz OHKDFEDPDXXUEI-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCCC2)C(C)(C)C1 ZINC001486239834 944664594 /nfs/dbraw/zinc/66/45/94/944664594.db2.gz GEHBHOPROPAUTB-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001486240401 944665017 /nfs/dbraw/zinc/66/50/17/944665017.db2.gz LQLRNGQYIAJNSL-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001317060922 944766129 /nfs/dbraw/zinc/76/61/29/944766129.db2.gz PSMOKFBIXUNTTN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C)cn1 ZINC001486424913 944871094 /nfs/dbraw/zinc/87/10/94/944871094.db2.gz XSZQPDGYLHJUNG-LSDHHAIUSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C)cn1 ZINC001486424913 944871100 /nfs/dbraw/zinc/87/11/00/944871100.db2.gz XSZQPDGYLHJUNG-LSDHHAIUSA-N 1 3 321.469 0.992 20 0 DCADHO C[NH+]1CCC(CN2CC[C@H]3C[C@]32C(=O)NCC2COC2)CC1 ZINC001277797610 944981082 /nfs/dbraw/zinc/98/10/82/944981082.db2.gz UMBOYVOKYCRQMX-DOTOQJQBSA-N 1 3 307.438 0.555 20 0 DCADHO C[NH+]1CCC(CN2C[C@@H]3C(C(=O)NC(C)(C)C)=NO[C@@H]3C2)CC1 ZINC001277798748 944983183 /nfs/dbraw/zinc/98/31/83/944983183.db2.gz OCJRFCYPNWBLHD-UONOGXRCSA-N 1 3 322.453 0.930 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CCOCCO ZINC001317463569 944988043 /nfs/dbraw/zinc/98/80/43/944988043.db2.gz FCTLNODOWNVMOP-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CCOCCO ZINC001317463569 944988045 /nfs/dbraw/zinc/98/80/45/944988045.db2.gz FCTLNODOWNVMOP-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CC(=O)NCC[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001277905910 945033658 /nfs/dbraw/zinc/03/36/58/945033658.db2.gz NCISKRJSSQAKKU-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO COC(=O)C1C[C@@H]2CC([NH2+][C@H](C)[C@@H]3CNCCO3)C[C@H](C1)N2 ZINC001246288292 945378685 /nfs/dbraw/zinc/37/86/85/945378685.db2.gz ANRQSLKNRAVFJN-OSJCUTLNSA-N 1 3 311.426 0.025 20 0 DCADHO COC(=O)CC1(N[C@@H]2CCN[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246362969 945394150 /nfs/dbraw/zinc/39/41/50/945394150.db2.gz JOCTZEMERQXJMR-GHMZBOCLSA-N 1 3 323.359 0.944 20 0 DCADHO CC(C)(C)[C@@H]1C[C@@H](N2CCOC[C@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246599331 945440678 /nfs/dbraw/zinc/44/06/78/945440678.db2.gz CGAZEAKNUDUVOV-ZOBUZTSGSA-N 1 3 311.470 0.844 20 0 DCADHO CCCC[C@@H]1C[C@@H](N2CCOC[C@@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246608592 945441598 /nfs/dbraw/zinc/44/15/98/945441598.db2.gz XXXAMJUBNSOEFH-IXDOHACOSA-N 1 3 311.470 0.988 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CN1 ZINC001246681967 945460794 /nfs/dbraw/zinc/46/07/94/945460794.db2.gz AMWMOTZKFQNJRE-JYXJIEJFSA-N 1 3 323.437 0.123 20 0 DCADHO c1ncc(O[C@@H]2C[C@H]3CN([C@H]4CCC[NH2+]C4)CCN3C2)cn1 ZINC001246709454 945468099 /nfs/dbraw/zinc/46/80/99/945468099.db2.gz OGPJPQOGCBELFB-SOUVJXGZSA-N 1 3 303.410 0.366 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246712992 945469867 /nfs/dbraw/zinc/46/98/67/945469867.db2.gz FUZDFHPGLZKZIY-DGADGQDISA-N 1 3 324.469 0.735 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246712992 945469870 /nfs/dbraw/zinc/46/98/70/945469870.db2.gz FUZDFHPGLZKZIY-DGADGQDISA-N 1 3 324.469 0.735 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@@H+](C4CCNCC4)C[C@H]3C2)cn1 ZINC001246743069 945478655 /nfs/dbraw/zinc/47/86/55/945478655.db2.gz ACXAHXLMIQNNHO-HZPDHXFCSA-N 1 3 303.454 0.926 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@H+](C4CCNCC4)C[C@H]3C2)cn1 ZINC001246743069 945478662 /nfs/dbraw/zinc/47/86/62/945478662.db2.gz ACXAHXLMIQNNHO-HZPDHXFCSA-N 1 3 303.454 0.926 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246870937 945511187 /nfs/dbraw/zinc/51/11/87/945511187.db2.gz LUVACWMFSSEWGY-PMPSAXMXSA-N 1 3 324.469 0.025 20 0 DCADHO Cn1ncc2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc21 ZINC001247830314 945576568 /nfs/dbraw/zinc/57/65/68/945576568.db2.gz MTHAPLWZDINCJB-LBPRGKRZSA-N 1 3 310.361 0.900 20 0 DCADHO c1cc(-c2noc(C[C@H]3CNCCO3)n2)nc2c1C[NH2+]CC2 ZINC001248351628 945597781 /nfs/dbraw/zinc/59/77/81/945597781.db2.gz FBQLIUKYRDVTAM-NSHDSACASA-N 1 3 301.350 0.308 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)[C@H]1CCCN1C ZINC001319508153 945603602 /nfs/dbraw/zinc/60/36/02/945603602.db2.gz AAUMKMWUDZFMDX-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](C[NH2+]CCn1cc(Cl)cn1)N(C)C(=O)Cc1c[nH]cn1 ZINC001319538059 945615272 /nfs/dbraw/zinc/61/52/72/945615272.db2.gz NMTYMGDZDUJSNS-NSHDSACASA-N 1 3 324.816 0.939 20 0 DCADHO COc1ccc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001273175533 945641120 /nfs/dbraw/zinc/64/11/20/945641120.db2.gz IENLZMMYEQJUJK-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001273175533 945641125 /nfs/dbraw/zinc/64/11/25/945641125.db2.gz IENLZMMYEQJUJK-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO C[N@H+](CCO)CCCNC[C@@H](O)COc1ccc(Cl)cc1 ZINC001250693457 945670163 /nfs/dbraw/zinc/67/01/63/945670163.db2.gz NRGRGGCZSZDWSO-CQSZACIVSA-N 1 3 316.829 0.984 20 0 DCADHO C[N@@H+](CCO)CCCNC[C@@H](O)COc1ccc(Cl)cc1 ZINC001250693457 945670167 /nfs/dbraw/zinc/67/01/67/945670167.db2.gz NRGRGGCZSZDWSO-CQSZACIVSA-N 1 3 316.829 0.984 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001410233036 946070459 /nfs/dbraw/zinc/07/04/59/946070459.db2.gz NCFMWLHZYVDRTP-IHRRRGAJSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253174150 946082828 /nfs/dbraw/zinc/08/28/28/946082828.db2.gz UOBUIGRXWGKQNP-QGPMSJSTSA-N 1 3 322.449 0.891 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253174150 946082842 /nfs/dbraw/zinc/08/28/42/946082842.db2.gz UOBUIGRXWGKQNP-QGPMSJSTSA-N 1 3 322.449 0.891 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@H](CO)Cc1cccc(OC)c1 ZINC001253211037 946098084 /nfs/dbraw/zinc/09/80/84/946098084.db2.gz SFGWJHYBYJSLHI-JKSUJKDBSA-N 1 3 310.438 0.891 20 0 DCADHO CCOC(=O)N1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253404523 946115933 /nfs/dbraw/zinc/11/59/33/946115933.db2.gz YHYMQCYWSUTILU-ZDUSSCGKSA-N 1 3 301.431 0.946 20 0 DCADHO CCOC(=O)N1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253404523 946115935 /nfs/dbraw/zinc/11/59/35/946115935.db2.gz YHYMQCYWSUTILU-ZDUSSCGKSA-N 1 3 301.431 0.946 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001321113219 946172948 /nfs/dbraw/zinc/17/29/48/946172948.db2.gz WZFILEISCKWCOG-XGACYXMMSA-N 1 3 322.453 0.388 20 0 DCADHO COc1cccc(OC[C@@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC001253957438 946210896 /nfs/dbraw/zinc/21/08/96/946210896.db2.gz HNBJTXVRYXETOX-ZNMIVQPWSA-N 1 3 306.406 0.928 20 0 DCADHO COc1cccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC001253957438 946210906 /nfs/dbraw/zinc/21/09/06/946210906.db2.gz HNBJTXVRYXETOX-ZNMIVQPWSA-N 1 3 306.406 0.928 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001321281406 946250051 /nfs/dbraw/zinc/25/00/51/946250051.db2.gz QFGJCGOWYVIUBD-GXMNPTEKSA-N 1 3 324.469 0.457 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001410447702 946389228 /nfs/dbraw/zinc/38/92/28/946389228.db2.gz ICGQKLGFSCODJI-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001410481781 946476369 /nfs/dbraw/zinc/47/63/69/946476369.db2.gz YCSLMJPEGXSCBO-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001273314576 946482318 /nfs/dbraw/zinc/48/23/18/946482318.db2.gz BBXJCURQGMEROO-GJZGRUSLSA-N 1 3 323.441 0.040 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001410492551 946485569 /nfs/dbraw/zinc/48/55/69/946485569.db2.gz LZKKUARMAHVDMA-LLVKDONJSA-N 1 3 306.414 0.145 20 0 DCADHO CC[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001410499467 946489734 /nfs/dbraw/zinc/48/97/34/946489734.db2.gz FQZPSBORGPHOER-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@H]1CC[N@H+](C)C1)CCC2 ZINC001255432910 946505685 /nfs/dbraw/zinc/50/56/85/946505685.db2.gz DJXQNHQGCCYTAM-AWEZNQCLSA-N 1 3 305.426 0.215 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@H]1CC[N@@H+](C)C1)CCC2 ZINC001255432910 946505691 /nfs/dbraw/zinc/50/56/91/946505691.db2.gz DJXQNHQGCCYTAM-AWEZNQCLSA-N 1 3 305.426 0.215 20 0 DCADHO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n([C@H]2CCN(C)C2)n1 ZINC001255441640 946507221 /nfs/dbraw/zinc/50/72/21/946507221.db2.gz PSQAYIYXMBOPBA-RYUDHWBXSA-N 1 3 307.398 0.798 20 0 DCADHO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n([C@@H]2CCN(C)C2)n1 ZINC001255441639 946509387 /nfs/dbraw/zinc/50/93/87/946509387.db2.gz PSQAYIYXMBOPBA-NWDGAFQWSA-N 1 3 307.398 0.798 20 0 DCADHO CCOC(=O)N1CC[C@H]([NH2+]CCN2CCN(C(C)C)CC2)C1 ZINC001256017673 946572045 /nfs/dbraw/zinc/57/20/45/946572045.db2.gz ULZAVOXKIONYSE-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC001273322953 946627070 /nfs/dbraw/zinc/62/70/70/946627070.db2.gz KPZZVJVBJQJOMF-DZGCQCFKSA-N 1 3 322.409 0.196 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410618875 946657238 /nfs/dbraw/zinc/65/72/38/946657238.db2.gz SXNMDEMXXJCENH-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410618875 946657246 /nfs/dbraw/zinc/65/72/46/946657246.db2.gz SXNMDEMXXJCENH-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001410726580 946846384 /nfs/dbraw/zinc/84/63/84/946846384.db2.gz OUSUGPQBDDZVON-IUODEOHRSA-N 1 3 303.422 0.674 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001410845155 947020900 /nfs/dbraw/zinc/02/09/00/947020900.db2.gz DPWJJPLYDYAIIY-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NC(C)(C)C)CCN1C(=O)CC[NH+](C)C ZINC001410847954 947023834 /nfs/dbraw/zinc/02/38/34/947023834.db2.gz JCTMXSLZKHMBHT-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN(C)C1CCC1 ZINC001410865919 947052646 /nfs/dbraw/zinc/05/26/46/947052646.db2.gz OJUYXSMXKKZVAB-QWHCGFSZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CC1CCOCC1 ZINC001411134063 947370461 /nfs/dbraw/zinc/37/04/61/947370461.db2.gz XBNSPSLBDYRLMJ-OAHLLOKOSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001411268961 947557130 /nfs/dbraw/zinc/55/71/30/947557130.db2.gz ALTMEKZGNGSBCN-JXQTWKCFSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CCC2)C1 ZINC001324936067 947580350 /nfs/dbraw/zinc/58/03/50/947580350.db2.gz CRQVWBBRVPHXSQ-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CSCC[C@H]([NH3+])CC(=O)NCCCCN1CCN(C)CC1 ZINC001263102729 947808910 /nfs/dbraw/zinc/80/89/10/947808910.db2.gz CJJWUYLHJQYJTE-AWEZNQCLSA-N 1 3 316.515 0.601 20 0 DCADHO CC(C)[C@H](C(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001179498662 947856875 /nfs/dbraw/zinc/85/68/75/947856875.db2.gz BYQIQMRXWZPTEV-UONOGXRCSA-N 1 3 314.474 0.713 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC001179586585 947869196 /nfs/dbraw/zinc/86/91/96/947869196.db2.gz RFDYTJKZIQHFMF-AWEZNQCLSA-N 1 3 312.458 0.340 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001179609303 947873743 /nfs/dbraw/zinc/87/37/43/947873743.db2.gz NHIMWCAHJNNGAQ-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001325703255 947887345 /nfs/dbraw/zinc/88/73/45/947887345.db2.gz COASZJKHPYDBAP-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001326594016 948207859 /nfs/dbraw/zinc/20/78/59/948207859.db2.gz YUAFKRWXWLUZFR-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001487786910 948276069 /nfs/dbraw/zinc/27/60/69/948276069.db2.gz TXFYHRLXLAQFIJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001487786910 948276082 /nfs/dbraw/zinc/27/60/82/948276082.db2.gz TXFYHRLXLAQFIJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCC1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC001328771194 949083888 /nfs/dbraw/zinc/08/38/88/949083888.db2.gz KYLGOOOVJUZWRA-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001265058486 949260859 /nfs/dbraw/zinc/26/08/59/949260859.db2.gz VVPPCZYOTWCZPO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001265058486 949260878 /nfs/dbraw/zinc/26/08/78/949260878.db2.gz VVPPCZYOTWCZPO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H](C)C(=O)NC ZINC001495068983 949292050 /nfs/dbraw/zinc/29/20/50/949292050.db2.gz OAKHRXLNASPCMH-TZMCWYRMSA-N 1 3 312.458 0.337 20 0 DCADHO COCn1ncc(C)c1C[NH2+]CCCCN1CCN(C)CC1 ZINC001330081373 950109972 /nfs/dbraw/zinc/10/99/72/950109972.db2.gz MQOBCKKPMQJMBZ-UHFFFAOYSA-N 1 3 309.458 0.913 20 0 DCADHO CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCNC1=O ZINC001266077955 950332385 /nfs/dbraw/zinc/33/23/85/950332385.db2.gz YRVCKSVZGRTMOB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001279315282 950540377 /nfs/dbraw/zinc/54/03/77/950540377.db2.gz GNFULXQIQVFOAE-NRXISQOPSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CCNCc2cnnn2C)C1 ZINC001280251379 950795783 /nfs/dbraw/zinc/79/57/83/950795783.db2.gz KDDTUDHPYNUICV-CQSZACIVSA-N 1 3 322.457 0.485 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CCNCc2cnnn2C)C1 ZINC001280251379 950795793 /nfs/dbraw/zinc/79/57/93/950795793.db2.gz KDDTUDHPYNUICV-CQSZACIVSA-N 1 3 322.457 0.485 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001490594909 950914263 /nfs/dbraw/zinc/91/42/63/950914263.db2.gz JLVMGNCAOBNJBR-UKRRQHHQSA-N 1 3 309.454 0.822 20 0 DCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C2CC2)CC1 ZINC001274017856 951329958 /nfs/dbraw/zinc/32/99/58/951329958.db2.gz UWFOJTIEBDOOFB-IAGOWNOFSA-N 1 3 320.481 0.852 20 0 DCADHO CN1CCN(CCCN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3C2CC2)CC1 ZINC001274017856 951329973 /nfs/dbraw/zinc/32/99/73/951329973.db2.gz UWFOJTIEBDOOFB-IAGOWNOFSA-N 1 3 320.481 0.852 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001365824047 951585036 /nfs/dbraw/zinc/58/50/36/951585036.db2.gz BLURYMPUIMGGDK-LJISPDSOSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nn(C)cc1CNC/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274367836 951590549 /nfs/dbraw/zinc/59/05/49/951590549.db2.gz HLOWKONUEHPGGG-WSNITJDQSA-N 1 3 319.453 0.832 20 0 DCADHO Cc1nn(C)cc1CNC/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274367836 951590561 /nfs/dbraw/zinc/59/05/61/951590561.db2.gz HLOWKONUEHPGGG-WSNITJDQSA-N 1 3 319.453 0.832 20 0 DCADHO Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001365859515 951622894 /nfs/dbraw/zinc/62/28/94/951622894.db2.gz ASPYSVBNPHMYBS-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCOCC(F)F)C1 ZINC001333153823 951936035 /nfs/dbraw/zinc/93/60/35/951936035.db2.gz PBGFNBJCBHMRFB-UHFFFAOYSA-N 1 3 319.396 0.943 20 0 DCADHO CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001275046874 951942498 /nfs/dbraw/zinc/94/24/98/951942498.db2.gz GQWWUKBAPGDGQE-KBPBESRZSA-N 1 3 303.410 0.025 20 0 DCADHO CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCn3ccnc3)C[C@@H]12 ZINC001275046874 951942504 /nfs/dbraw/zinc/94/25/04/951942504.db2.gz GQWWUKBAPGDGQE-KBPBESRZSA-N 1 3 303.410 0.025 20 0 DCADHO CCCN1CC[N@H+](CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001275108638 951961657 /nfs/dbraw/zinc/96/16/57/951961657.db2.gz UQIDFXCDBATQOH-KRWDZBQOSA-N 1 3 319.453 0.950 20 0 DCADHO CCCN1CC[N@@H+](CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001275108638 951961661 /nfs/dbraw/zinc/96/16/61/951961661.db2.gz UQIDFXCDBATQOH-KRWDZBQOSA-N 1 3 319.453 0.950 20 0 DCADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001335986271 952629068 /nfs/dbraw/zinc/62/90/68/952629068.db2.gz MBPVUVGKKOCYLD-SJLPKXTDSA-N 1 3 324.513 0.591 20 0 DCADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001335986271 952629070 /nfs/dbraw/zinc/62/90/70/952629070.db2.gz MBPVUVGKKOCYLD-SJLPKXTDSA-N 1 3 324.513 0.591 20 0 DCADHO CN1CCN(C[C@@H](O)CN[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001335986272 952629137 /nfs/dbraw/zinc/62/91/37/952629137.db2.gz MBPVUVGKKOCYLD-WMZOPIPTSA-N 1 3 324.513 0.591 20 0 DCADHO CN1CCN(C[C@@H](O)CN[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001335986272 952629139 /nfs/dbraw/zinc/62/91/39/952629139.db2.gz MBPVUVGKKOCYLD-WMZOPIPTSA-N 1 3 324.513 0.591 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001276298601 953051769 /nfs/dbraw/zinc/05/17/69/953051769.db2.gz WKLWUILCTHYRNX-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)CC1 ZINC001341627227 953241251 /nfs/dbraw/zinc/24/12/51/953241251.db2.gz NADMXOZBCICJCN-GVDBMIGSSA-N 1 3 322.497 0.908 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341685774 953245660 /nfs/dbraw/zinc/24/56/60/953245660.db2.gz WWUABLHZWODXDW-QKGCVVFFSA-N 1 3 322.453 0.029 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001365887112 953362523 /nfs/dbraw/zinc/36/25/23/953362523.db2.gz HWSRDWXARYISNR-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001366043633 953617233 /nfs/dbraw/zinc/61/72/33/953617233.db2.gz PMZQJNKPVFJIIJ-UONOGXRCSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001366043633 953617237 /nfs/dbraw/zinc/61/72/37/953617237.db2.gz PMZQJNKPVFJIIJ-UONOGXRCSA-N 1 3 310.442 0.077 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001366092046 953672648 /nfs/dbraw/zinc/67/26/48/953672648.db2.gz FEZVYDGQXKDLQV-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001366092046 953672651 /nfs/dbraw/zinc/67/26/51/953672651.db2.gz FEZVYDGQXKDLQV-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001366188935 953799606 /nfs/dbraw/zinc/79/96/06/953799606.db2.gz TZVJKLLQLTYJDE-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001366200012 953812005 /nfs/dbraw/zinc/81/20/05/953812005.db2.gz GCHVYGKVXPLQDS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001366245955 953886403 /nfs/dbraw/zinc/88/64/03/953886403.db2.gz WTTAUXBKUKXAMC-RUXDESIVSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001366283836 953956175 /nfs/dbraw/zinc/95/61/75/953956175.db2.gz GOSMUDMYHJWYCA-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001366286110 953959014 /nfs/dbraw/zinc/95/90/14/953959014.db2.gz IFEKAYBDJTTWFO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001316625856 954257413 /nfs/dbraw/zinc/25/74/13/954257413.db2.gz KLFBOWLOBQSANA-FPMFFAJLSA-N 1 3 308.426 0.906 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)ncn1 ZINC001366496043 954280586 /nfs/dbraw/zinc/28/05/86/954280586.db2.gz JBRIGSJVTMNFKC-CYBMUJFWSA-N 1 3 317.437 0.865 20 0 DCADHO Cc1nccnc1CN[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366508812 954296707 /nfs/dbraw/zinc/29/67/07/954296707.db2.gz MUHPIMQMLAHDHU-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CN[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366508812 954296717 /nfs/dbraw/zinc/29/67/17/954296717.db2.gz MUHPIMQMLAHDHU-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001348775267 954463644 /nfs/dbraw/zinc/46/36/44/954463644.db2.gz BQXGLXVLFTXBBZ-OEUWWYETSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(C)CCNC3=O)CC2)CC1 ZINC001348936576 954540470 /nfs/dbraw/zinc/54/04/70/954540470.db2.gz GWTFEAOTQJKGRX-QGZVFWFLSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1)N(C)C ZINC001366702236 954679420 /nfs/dbraw/zinc/67/94/20/954679420.db2.gz CCJGTWLRWGJRGN-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1)N(C)C ZINC001366702236 954679426 /nfs/dbraw/zinc/67/94/26/954679426.db2.gz CCJGTWLRWGJRGN-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001349378667 954730714 /nfs/dbraw/zinc/73/07/14/954730714.db2.gz IBLNASLFZGGAMA-ZFWWWQNUSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001349378667 954730728 /nfs/dbraw/zinc/73/07/28/954730728.db2.gz IBLNASLFZGGAMA-ZFWWWQNUSA-N 1 3 312.458 0.147 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001349473248 954767870 /nfs/dbraw/zinc/76/78/70/954767870.db2.gz LSSPSWUKPIVHFB-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H](C(=O)NCCCNC(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001349821330 954898141 /nfs/dbraw/zinc/89/81/41/954898141.db2.gz OKWSPDOAVGNGSF-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366833236 954906464 /nfs/dbraw/zinc/90/64/64/954906464.db2.gz JFZWCCVITOXEOM-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001366854651 954939860 /nfs/dbraw/zinc/93/98/60/954939860.db2.gz UPNPJJMLNXOWDO-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366854651 954939872 /nfs/dbraw/zinc/93/98/72/954939872.db2.gz UPNPJJMLNXOWDO-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](F)CCN1CCN(CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001366857941 954944255 /nfs/dbraw/zinc/94/42/55/954944255.db2.gz GVCGCYYIBCOFOA-OAHLLOKOSA-N 1 3 316.465 0.762 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CCCO)CC2)C1 ZINC001366879612 954980118 /nfs/dbraw/zinc/98/01/18/954980118.db2.gz FRVFNGTVSHRTCQ-OAHLLOKOSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CCCO)CC2)C1 ZINC001366879612 954980125 /nfs/dbraw/zinc/98/01/25/954980125.db2.gz FRVFNGTVSHRTCQ-OAHLLOKOSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001367192754 955450266 /nfs/dbraw/zinc/45/02/66/955450266.db2.gz WXWQADULODSQPT-AVGNSLFASA-N 1 3 310.442 0.362 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001367202566 955455602 /nfs/dbraw/zinc/45/56/02/955455602.db2.gz WTTAUXBKUKXAMC-MGPQQGTHSA-N 1 3 310.442 0.232 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001367224559 955483030 /nfs/dbraw/zinc/48/30/30/955483030.db2.gz YLZWECPNURZIOF-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNCc2ccn(C)n2)CC[N@@H+]1C ZINC001367247420 955521928 /nfs/dbraw/zinc/52/19/28/955521928.db2.gz XHURBDZEIQMFCA-CWRNSKLLSA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNCc2ccn(C)n2)CC[N@H+]1C ZINC001367247420 955521935 /nfs/dbraw/zinc/52/19/35/955521935.db2.gz XHURBDZEIQMFCA-CWRNSKLLSA-N 1 3 321.469 0.992 20 0 DCADHO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(s1)CNCC2 ZINC001353483687 956077905 /nfs/dbraw/zinc/07/79/05/956077905.db2.gz XURUGDPEVNWKMY-UHFFFAOYSA-N 1 3 323.462 0.970 20 0 DCADHO CN1CCN(CCCNC(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001353580657 956110158 /nfs/dbraw/zinc/11/01/58/956110158.db2.gz ATXUNQDENTXEMC-UHFFFAOYSA-N 1 3 308.470 0.520 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)CC(C)(C)C ZINC001416060606 956255877 /nfs/dbraw/zinc/25/58/77/956255877.db2.gz TYUQFIRBFBZAFG-ZDUSSCGKSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC001416060606 956255887 /nfs/dbraw/zinc/25/58/87/956255887.db2.gz TYUQFIRBFBZAFG-ZDUSSCGKSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001416122112 956794887 /nfs/dbraw/zinc/79/48/87/956794887.db2.gz SNGUIQBDZWRUFO-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001356226696 956800524 /nfs/dbraw/zinc/80/05/24/956800524.db2.gz AKSGCEXJJURVKR-LQRHENHASA-N 1 3 307.438 0.456 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001292857226 957176648 /nfs/dbraw/zinc/17/66/48/957176648.db2.gz OXDFFYHOSNUGNR-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001292857226 957176656 /nfs/dbraw/zinc/17/66/56/957176656.db2.gz OXDFFYHOSNUGNR-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@]1(C(=O)NCCCN2CCc3ccccc3C2)C[C@H](O)C[NH2+]1 ZINC001357364007 957255396 /nfs/dbraw/zinc/25/53/96/957255396.db2.gz ZUFDHIAFPAYSDB-WMZOPIPTSA-N 1 3 317.433 0.664 20 0 DCADHO CCN(CC)CC(=O)NCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001293343176 957351529 /nfs/dbraw/zinc/35/15/29/957351529.db2.gz ZWNCOISJXVBBJX-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)c1ccc(N(C)C)cc1F)C(N)=O ZINC001367673800 958330277 /nfs/dbraw/zinc/33/02/77/958330277.db2.gz ACFYWWITGFZGRC-YGRLFVJLSA-N 1 3 324.400 0.864 20 0 DCADHO C[C@H](C[NH2+]Cc1nccs1)NC(=O)c1cc(=O)n(C)cn1 ZINC001367674001 958330415 /nfs/dbraw/zinc/33/04/15/958330415.db2.gz FHBBOAYSZPRYPC-SECBINFHSA-N 1 3 307.379 0.145 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](CNCC(=O)NC)C2CC2)C1 ZINC001367902005 958817646 /nfs/dbraw/zinc/81/76/46/958817646.db2.gz GKEPOIBBNOVXER-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](CNCC(=O)NC)C2CC2)C1 ZINC001367902005 958817661 /nfs/dbraw/zinc/81/76/61/958817661.db2.gz GKEPOIBBNOVXER-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376856265 958994269 /nfs/dbraw/zinc/99/42/69/958994269.db2.gz QPTGADAZTPODMK-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001376941046 959178229 /nfs/dbraw/zinc/17/82/29/959178229.db2.gz MEAZDSSPLSJLGU-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO Cn1cc(CN2CC[C@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)cn1 ZINC001368070073 959180863 /nfs/dbraw/zinc/18/08/63/959180863.db2.gz VZCSMDLJGLOTES-KRWDZBQOSA-N 1 3 319.453 0.796 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001368103158 959242883 /nfs/dbraw/zinc/24/28/83/959242883.db2.gz HFJLYHARVVDMPX-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001368103158 959242909 /nfs/dbraw/zinc/24/29/09/959242909.db2.gz HFJLYHARVVDMPX-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001368111495 959260911 /nfs/dbraw/zinc/26/09/11/959260911.db2.gz SDRKNWIRBYZOOF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001368118668 959274617 /nfs/dbraw/zinc/27/46/17/959274617.db2.gz RKNWAZBXHFPOQR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001368118668 959274631 /nfs/dbraw/zinc/27/46/31/959274631.db2.gz RKNWAZBXHFPOQR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC)C1 ZINC001368196483 959433435 /nfs/dbraw/zinc/43/34/35/959433435.db2.gz OLYZMCCTWVKRLG-MRXNPFEDSA-N 1 3 312.458 0.293 20 0 DCADHO Cn1cc(CN2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@@H]3C2)cn1 ZINC001368356652 959721421 /nfs/dbraw/zinc/72/14/21/959721421.db2.gz VTNRSLQUZZSNBQ-IYBDPMFKSA-N 1 3 319.453 0.652 20 0 DCADHO CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001368427172 959847293 /nfs/dbraw/zinc/84/72/93/959847293.db2.gz WRABZNLKMXNYAO-YPMHNXCESA-N 1 3 307.398 0.044 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001377284901 959855704 /nfs/dbraw/zinc/85/57/04/959855704.db2.gz KNFPBGCLWHYQGS-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001368477174 959919683 /nfs/dbraw/zinc/91/96/83/959919683.db2.gz ZBMJNDVLHSGSGI-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001368477174 959919692 /nfs/dbraw/zinc/91/96/92/959919692.db2.gz ZBMJNDVLHSGSGI-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001368517221 959971993 /nfs/dbraw/zinc/97/19/93/959971993.db2.gz SPEMXRXDVVBYOG-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)[C@H](C)C1 ZINC001377381713 960001434 /nfs/dbraw/zinc/00/14/34/960001434.db2.gz KCWRVLCCWBBXFG-HUUCEWRRSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)[C@H](C)C1 ZINC001377381713 960001445 /nfs/dbraw/zinc/00/14/45/960001445.db2.gz KCWRVLCCWBBXFG-HUUCEWRRSA-N 1 3 322.457 0.587 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001368573305 960046779 /nfs/dbraw/zinc/04/67/79/960046779.db2.gz VBXDTOCLGQFWCE-YRGRVCCFSA-N 1 3 308.430 0.140 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001368606114 960082578 /nfs/dbraw/zinc/08/25/78/960082578.db2.gz KZPKPMWFNDWSHH-JURCDPSOSA-N 1 3 324.469 0.478 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001368825276 960322642 /nfs/dbraw/zinc/32/26/42/960322642.db2.gz MTRAAYACCYVRNG-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001377593715 960334411 /nfs/dbraw/zinc/33/44/11/960334411.db2.gz YXKKUVFSPPVNLU-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001316825505 960396507 /nfs/dbraw/zinc/39/65/07/960396507.db2.gz RSXRIVUGMCXYPJ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001316825505 960396512 /nfs/dbraw/zinc/39/65/12/960396512.db2.gz RSXRIVUGMCXYPJ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001377767384 960608409 /nfs/dbraw/zinc/60/84/09/960608409.db2.gz LWHDWSFNRHSXHY-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001378544116 960978498 /nfs/dbraw/zinc/97/84/98/960978498.db2.gz JYXPXLKPWKFSEF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001378544116 960978515 /nfs/dbraw/zinc/97/85/15/960978515.db2.gz JYXPXLKPWKFSEF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001447043924 1013224664 /nfs/dbraw/zinc/22/46/64/1013224664.db2.gz QZYCWGKUBNHEOV-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001447043924 1013224676 /nfs/dbraw/zinc/22/46/76/1013224676.db2.gz QZYCWGKUBNHEOV-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO NC(C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)C(F)(F)F ZINC001549028769 1013233712 /nfs/dbraw/zinc/23/37/12/1013233712.db2.gz KHXVZHVXQQZMTC-HBNTYKKESA-N 1 3 305.275 0.968 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCc1cnn(C)c1 ZINC001378067620 961358935 /nfs/dbraw/zinc/35/89/35/961358935.db2.gz YDVWAXJZWQURBE-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCc1cnn(C)c1 ZINC001378067620 961358957 /nfs/dbraw/zinc/35/89/57/961358957.db2.gz YDVWAXJZWQURBE-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC001363534296 961383802 /nfs/dbraw/zinc/38/38/02/961383802.db2.gz VYVKETJMBOXIIG-CABCVRRESA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC001363534296 961383819 /nfs/dbraw/zinc/38/38/19/961383819.db2.gz VYVKETJMBOXIIG-CABCVRRESA-N 1 3 324.469 0.685 20 0 DCADHO C[C@@H](NCc1cccnc1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001378760915 961423717 /nfs/dbraw/zinc/42/37/17/961423717.db2.gz LXFKXOFOSUSVEI-ZBFHGGJFSA-N 1 3 320.437 0.739 20 0 DCADHO C[C@@H](C[NH2+]Cc1cncn1C)N(C)C(=O)CN(C)C1CCC1 ZINC001378774047 961450151 /nfs/dbraw/zinc/45/01/51/961450151.db2.gz JZEHQSCEYAIWGV-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378775554 961453551 /nfs/dbraw/zinc/45/35/51/961453551.db2.gz MIKWQUZGFXKAJY-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378781624 961465862 /nfs/dbraw/zinc/46/58/62/961465862.db2.gz CFPACJBQMYAUAV-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378809896 961522538 /nfs/dbraw/zinc/52/25/38/961522538.db2.gz JKLAPYQLEJBJDA-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001378932470 961722198 /nfs/dbraw/zinc/72/21/98/961722198.db2.gz PIYWGCXQCVKLDR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001378930953 961725595 /nfs/dbraw/zinc/72/55/95/961725595.db2.gz XZNIWVOWYOSBMX-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379016336 961883737 /nfs/dbraw/zinc/88/37/37/961883737.db2.gz AJQHWSDBFUMJGO-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001379016336 961883758 /nfs/dbraw/zinc/88/37/58/961883758.db2.gz AJQHWSDBFUMJGO-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001379021483 961896823 /nfs/dbraw/zinc/89/68/23/961896823.db2.gz KXJDTYGYWYUJER-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)CCN1CCCC1=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379739574 961906705 /nfs/dbraw/zinc/90/67/05/961906705.db2.gz JHNYXKUIFOIFMF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)CCN1CCCC1=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379739574 961906736 /nfs/dbraw/zinc/90/67/36/961906736.db2.gz JHNYXKUIFOIFMF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@](C)(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001379750992 961937601 /nfs/dbraw/zinc/93/76/01/961937601.db2.gz NJCJBARHTMTMQP-BBRMVZONSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001379151498 962208325 /nfs/dbraw/zinc/20/83/25/962208325.db2.gz VDJRUYZJHXWTRP-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001379232978 962425509 /nfs/dbraw/zinc/42/55/09/962425509.db2.gz HFCAFYCLBLYBNH-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001447292880 1013351095 /nfs/dbraw/zinc/35/10/95/1013351095.db2.gz ZBPPYARAOJXRGY-KBPBESRZSA-N 1 3 313.442 0.323 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNCc1ccccn1 ZINC001379299271 962574067 /nfs/dbraw/zinc/57/40/67/962574067.db2.gz WXENAFPFXVLLMC-INIZCTEOSA-N 1 3 320.437 0.524 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379325014 962629388 /nfs/dbraw/zinc/62/93/88/962629388.db2.gz YIMIZBVIHQPHFJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379325014 962629400 /nfs/dbraw/zinc/62/94/00/962629400.db2.gz YIMIZBVIHQPHFJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001380283234 962989692 /nfs/dbraw/zinc/98/96/92/962989692.db2.gz GLJUNFKCDACWBS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001379520795 963116540 /nfs/dbraw/zinc/11/65/40/963116540.db2.gz YDPYLULLLJBQQJ-IHRRRGAJSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001379530981 963141020 /nfs/dbraw/zinc/14/10/20/963141020.db2.gz VLWIYZDYNJVMCB-CVEARBPZSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001379530981 963141030 /nfs/dbraw/zinc/14/10/30/963141030.db2.gz VLWIYZDYNJVMCB-CVEARBPZSA-N 1 3 305.422 0.513 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001379571714 963198104 /nfs/dbraw/zinc/19/81/04/963198104.db2.gz PWKZGNAVLXVZQM-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379581361 963212367 /nfs/dbraw/zinc/21/23/67/963212367.db2.gz LKQMTNVLFVLHDJ-GXTWGEPZSA-N 1 3 308.426 0.320 20 0 DCADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001381125426 963829432 /nfs/dbraw/zinc/82/94/32/963829432.db2.gz DHFXLNGYFGPZHS-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001381214482 963897180 /nfs/dbraw/zinc/89/71/80/963897180.db2.gz PRLAWCHTWADAJC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001381241441 963915405 /nfs/dbraw/zinc/91/54/05/963915405.db2.gz ZZFKUNIBRDHVRE-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001381266592 963931243 /nfs/dbraw/zinc/93/12/43/963931243.db2.gz LOSOWLDDDCURRH-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001381266592 963931247 /nfs/dbraw/zinc/93/12/47/963931247.db2.gz LOSOWLDDDCURRH-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CN(CCn1cncn1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381312706 963963280 /nfs/dbraw/zinc/96/32/80/963963280.db2.gz BDOZLXLEACPMSL-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381312706 963963287 /nfs/dbraw/zinc/96/32/87/963963287.db2.gz BDOZLXLEACPMSL-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001447548868 1013468977 /nfs/dbraw/zinc/46/89/77/1013468977.db2.gz URAVORPWOIRDMP-QWHCGFSZSA-N 1 3 312.458 0.147 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)C1 ZINC001369211770 964532449 /nfs/dbraw/zinc/53/24/49/964532449.db2.gz HNGBNCZYDVUZHE-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)C1 ZINC001369211770 964532457 /nfs/dbraw/zinc/53/24/57/964532457.db2.gz HNGBNCZYDVUZHE-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001369250787 964596794 /nfs/dbraw/zinc/59/67/94/964596794.db2.gz KFGQQBYPZNXEPP-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001373798290 964645525 /nfs/dbraw/zinc/64/55/25/964645525.db2.gz RFEDGYYHKFCALC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001373798287 964646134 /nfs/dbraw/zinc/64/61/34/964646134.db2.gz RFEDGYYHKFCALC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001373833865 964694088 /nfs/dbraw/zinc/69/40/88/964694088.db2.gz URAZQIVYRACOHZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001373833865 964694098 /nfs/dbraw/zinc/69/40/98/964694098.db2.gz URAZQIVYRACOHZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001373914744 964778058 /nfs/dbraw/zinc/77/80/58/964778058.db2.gz IDXPFZQTGRLCNA-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001375748326 964788984 /nfs/dbraw/zinc/78/89/84/964788984.db2.gz KVKXURAFVZLGGH-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001375766173 964814076 /nfs/dbraw/zinc/81/40/76/964814076.db2.gz ARICMRGWIZUEJF-HOCLYGCPSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001369372092 964843753 /nfs/dbraw/zinc/84/37/53/964843753.db2.gz HMYPYAQGDGSUBW-STQMWFEESA-N 1 3 321.412 0.829 20 0 DCADHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001369429741 964963426 /nfs/dbraw/zinc/96/34/26/964963426.db2.gz YRZWLIWFISJAST-OLZOCXBDSA-N 1 3 312.458 0.324 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001369445679 964988464 /nfs/dbraw/zinc/98/84/64/964988464.db2.gz MXJAMTCOVUYALE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001376008275 965081151 /nfs/dbraw/zinc/08/11/51/965081151.db2.gz GQCDEDVYZNOSQM-GJZGRUSLSA-N 1 3 313.442 0.011 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)CC[C@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369512293 965119487 /nfs/dbraw/zinc/11/94/87/965119487.db2.gz ALLFGUXBQZQFSE-ZFWWWQNUSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)CC[C@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369512293 965119492 /nfs/dbraw/zinc/11/94/92/965119492.db2.gz ALLFGUXBQZQFSE-ZFWWWQNUSA-N 1 3 324.425 0.130 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001374215268 965141731 /nfs/dbraw/zinc/14/17/31/965141731.db2.gz DTAXVQZRPKFHDQ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001374215268 965141737 /nfs/dbraw/zinc/14/17/37/965141737.db2.gz DTAXVQZRPKFHDQ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001369548484 965161892 /nfs/dbraw/zinc/16/18/92/965161892.db2.gz BZKCVJUCRWWRHR-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001369548484 965161897 /nfs/dbraw/zinc/16/18/97/965161897.db2.gz BZKCVJUCRWWRHR-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001369577917 965189049 /nfs/dbraw/zinc/18/90/49/965189049.db2.gz HKQWCAYPQAMVFO-SSDMNJCBSA-N 1 3 322.457 0.717 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001369581211 965191597 /nfs/dbraw/zinc/19/15/97/965191597.db2.gz GETYVQZJFKBPLT-JXQTWKCFSA-N 1 3 322.453 0.280 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001376113315 965212283 /nfs/dbraw/zinc/21/22/83/965212283.db2.gz IRTJNTOXTVCBMD-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374281120 965220159 /nfs/dbraw/zinc/22/01/59/965220159.db2.gz NIRUSGARQJWVJU-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374281120 965220169 /nfs/dbraw/zinc/22/01/69/965220169.db2.gz NIRUSGARQJWVJU-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001374289703 965233130 /nfs/dbraw/zinc/23/31/30/965233130.db2.gz XCDHIWBONFXMMF-SCRDCRAPSA-N 1 3 322.457 0.780 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001374289703 965233140 /nfs/dbraw/zinc/23/31/40/965233140.db2.gz XCDHIWBONFXMMF-SCRDCRAPSA-N 1 3 322.457 0.780 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374315213 965269935 /nfs/dbraw/zinc/26/99/35/965269935.db2.gz VFXLJHWBBQPLPX-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cnn(C)c1)C(C)C)N(C)C ZINC001374443192 965398170 /nfs/dbraw/zinc/39/81/70/965398170.db2.gz HZIAISKYPHPGQV-CABCVRRESA-N 1 3 309.458 0.991 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1nnc(C)[nH]1 ZINC001374568494 965545909 /nfs/dbraw/zinc/54/59/09/965545909.db2.gz DMSRQPIIDCEWJX-KBPBESRZSA-N 1 3 322.457 0.829 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1nnc(C)[nH]1 ZINC001374568494 965545913 /nfs/dbraw/zinc/54/59/13/965545913.db2.gz DMSRQPIIDCEWJX-KBPBESRZSA-N 1 3 322.457 0.829 20 0 DCADHO Cn1cc(CNC[C@H]2CCC[C@@H]2NC(=O)CCC[NH+](C)C)nn1 ZINC001374569991 965549709 /nfs/dbraw/zinc/54/97/09/965549709.db2.gz GQPJYNLODHWDDI-HIFRSBDPSA-N 1 3 322.457 0.531 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)C1 ZINC001376376825 965591571 /nfs/dbraw/zinc/59/15/71/965591571.db2.gz ITQJLGDMPOAHKN-APIJFGDWSA-N 1 3 322.453 0.173 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)C1 ZINC001376376825 965591583 /nfs/dbraw/zinc/59/15/83/965591583.db2.gz ITQJLGDMPOAHKN-APIJFGDWSA-N 1 3 322.453 0.173 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001374645457 965692432 /nfs/dbraw/zinc/69/24/32/965692432.db2.gz XBBIYOMFJHQESB-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001374645457 965692440 /nfs/dbraw/zinc/69/24/40/965692440.db2.gz XBBIYOMFJHQESB-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC1CC1)N1CCCCC1 ZINC001374686564 965759197 /nfs/dbraw/zinc/75/91/97/965759197.db2.gz VAMFJASOZPKGDR-HZPDHXFCSA-N 1 3 311.470 0.974 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001376550788 965817500 /nfs/dbraw/zinc/81/75/00/965817500.db2.gz PJLULAFHCWRQBW-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001376616804 965897753 /nfs/dbraw/zinc/89/77/53/965897753.db2.gz YXMKSBDQIGRRRB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001376672869 965964570 /nfs/dbraw/zinc/96/45/70/965964570.db2.gz FAGRJAFLAZXLSK-JXQTWKCFSA-N 1 3 310.442 0.234 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cn1 ZINC001374811850 965964729 /nfs/dbraw/zinc/96/47/29/965964729.db2.gz ZAOJDZQKMWPUJT-QWHCGFSZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cn1 ZINC001374811850 965964736 /nfs/dbraw/zinc/96/47/36/965964736.db2.gz ZAOJDZQKMWPUJT-QWHCGFSZSA-N 1 3 305.426 0.721 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1)CC(C)(C)C ZINC001370392861 966077247 /nfs/dbraw/zinc/07/72/47/966077247.db2.gz FLHJIGBJSLKCJI-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374930392 966151125 /nfs/dbraw/zinc/15/11/25/966151125.db2.gz WMDKVCIOCUSSGR-ILXRZTDVSA-N 1 3 322.453 0.092 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374930392 966151132 /nfs/dbraw/zinc/15/11/32/966151132.db2.gz WMDKVCIOCUSSGR-ILXRZTDVSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001370518259 966204625 /nfs/dbraw/zinc/20/46/25/966204625.db2.gz OQAGENLPAQCEOV-XGUBFFRZSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001375094666 966344477 /nfs/dbraw/zinc/34/44/77/966344477.db2.gz ONKFZOAQGDVAAJ-ILXRZTDVSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001375094666 966344489 /nfs/dbraw/zinc/34/44/89/966344489.db2.gz ONKFZOAQGDVAAJ-ILXRZTDVSA-N 1 3 322.457 0.445 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001381607803 966576792 /nfs/dbraw/zinc/57/67/92/966576792.db2.gz KJTSFKQNCFFBCQ-ZFWWWQNUSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001381607803 966576799 /nfs/dbraw/zinc/57/67/99/966576799.db2.gz KJTSFKQNCFFBCQ-ZFWWWQNUSA-N 1 3 322.453 0.662 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001370926623 966594039 /nfs/dbraw/zinc/59/40/39/966594039.db2.gz YXUOPLRJOAXJNW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CN[C@H]2CCNC2=O)CC1 ZINC001370934446 966597701 /nfs/dbraw/zinc/59/77/01/966597701.db2.gz VRXRMFOFEPKOQB-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001370966768 966626869 /nfs/dbraw/zinc/62/68/69/966626869.db2.gz RQLMIUWFBJUQPD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001370966768 966626874 /nfs/dbraw/zinc/62/68/74/966626874.db2.gz RQLMIUWFBJUQPD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001371079767 966708949 /nfs/dbraw/zinc/70/89/49/966708949.db2.gz SLAIIKUFBMAYRB-WLYUNCDWSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](CNCc1ccnn1C)C1CC1 ZINC001382029476 966876103 /nfs/dbraw/zinc/87/61/03/966876103.db2.gz MQHGJMFUBXWUGD-HOCLYGCPSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](CNCc1ccnn1C)C1CC1 ZINC001382029476 966876112 /nfs/dbraw/zinc/87/61/12/966876112.db2.gz MQHGJMFUBXWUGD-HOCLYGCPSA-N 1 3 319.453 0.698 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001382069898 966913641 /nfs/dbraw/zinc/91/36/41/966913641.db2.gz PWKBCDSKYIAVRS-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H](C)C(N)=O ZINC001382160362 966991423 /nfs/dbraw/zinc/99/14/23/966991423.db2.gz AKQPHBZBZPOMDZ-STQMWFEESA-N 1 3 320.437 0.672 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001382165808 966998323 /nfs/dbraw/zinc/99/83/23/966998323.db2.gz MTUIRTLJWPJCCO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001382221376 967089126 /nfs/dbraw/zinc/08/91/26/967089126.db2.gz WFQHTDXGSGGTGS-CQSZACIVSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001382244910 967114817 /nfs/dbraw/zinc/11/48/17/967114817.db2.gz HKIMUTKMYSOILG-MNOVXSKESA-N 1 3 311.348 0.347 20 0 DCADHO C[C@@H](NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1nncn1C ZINC001371606712 967164964 /nfs/dbraw/zinc/16/49/64/967164964.db2.gz OLHKRKBMIQCSLM-OLZOCXBDSA-N 1 3 308.430 0.266 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001382301808 967185844 /nfs/dbraw/zinc/18/58/44/967185844.db2.gz GVDQEXAJFXETRP-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001382311716 967201379 /nfs/dbraw/zinc/20/13/79/967201379.db2.gz IPLSTYLCBKBOSH-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC2CC2)C[C@H]1C ZINC001382318422 967213327 /nfs/dbraw/zinc/21/33/27/967213327.db2.gz SBBOEDAARSSUFT-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)n[nH]1 ZINC001382368780 967278533 /nfs/dbraw/zinc/27/85/33/967278533.db2.gz MDLPOTKNKOKHES-GFCCVEGCSA-N 1 3 308.430 0.391 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001372035661 967586798 /nfs/dbraw/zinc/58/67/98/967586798.db2.gz VXKLPGKOQBPYFL-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001372066839 967618778 /nfs/dbraw/zinc/61/87/78/967618778.db2.gz HZBDGTFSMJTPRE-ZIAGYGMSSA-N 1 3 312.458 0.338 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001372731127 968301966 /nfs/dbraw/zinc/30/19/66/968301966.db2.gz YODUNOPYFSHWTP-BFJAYTPKSA-N 1 3 324.469 0.097 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001372934565 968542721 /nfs/dbraw/zinc/54/27/21/968542721.db2.gz MNLBUYSKRUQRBT-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[C@H](N2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001373221753 968824554 /nfs/dbraw/zinc/82/45/54/968824554.db2.gz FHADANKKPINFOP-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCC[NH+]1CCN(CCN(C)C(=O)CN2CCCC2)CC1 ZINC001373269854 968878013 /nfs/dbraw/zinc/87/80/13/968878013.db2.gz ZWKGJRIGQBALNZ-UHFFFAOYSA-N 1 3 310.486 0.958 20 0 DCADHO Cn1nccc1CCN1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001373398881 969041947 /nfs/dbraw/zinc/04/19/47/969041947.db2.gz AHZRUDDRFUFYEA-AWEZNQCLSA-N 1 3 307.442 0.495 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001373579989 969253386 /nfs/dbraw/zinc/25/33/86/969253386.db2.gz SAQGOSUCRSQVCZ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001373579989 969253388 /nfs/dbraw/zinc/25/33/88/969253388.db2.gz SAQGOSUCRSQVCZ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001373580694 969257005 /nfs/dbraw/zinc/25/70/05/969257005.db2.gz XODBDWRKKQFCLV-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001448889984 1014085502 /nfs/dbraw/zinc/08/55/02/1014085502.db2.gz BYJJNQSSVTYSMV-INIZCTEOSA-N 1 3 319.449 0.904 20 0 DCADHO N[C@H](CC(F)F)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001549294799 1014201786 /nfs/dbraw/zinc/20/17/86/1014201786.db2.gz IGJKREFYEDUSKO-CYBMUJFWSA-N 1 3 319.396 0.976 20 0 DCADHO O=C(Nc1cn[nH]c1[C@H]1CC[NH2+]C1)[C@@H]1CCc2nccn2C1 ZINC001549738711 1014435628 /nfs/dbraw/zinc/43/56/28/1014435628.db2.gz UDYVLFRKBNLWCN-WDEREUQCSA-N 1 3 300.366 0.884 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)C2)nn1 ZINC001550094016 1014562959 /nfs/dbraw/zinc/56/29/59/1014562959.db2.gz HAONBIMTIVOLLW-TZMCWYRMSA-N 1 3 306.414 0.290 20 0 DCADHO CC(C)([NH3+])CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550198790 1014622495 /nfs/dbraw/zinc/62/24/95/1014622495.db2.gz PDHVQWTZFUIDNN-UHFFFAOYSA-N 1 3 310.442 0.446 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC001550199385 1014623889 /nfs/dbraw/zinc/62/38/89/1014623889.db2.gz QGAMQGSMALDCBX-UHFFFAOYSA-N 1 3 322.453 0.318 20 0 DCADHO [NH3+][C@@H]1COCC[C@H]1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC001550265431 1014641832 /nfs/dbraw/zinc/64/18/32/1014641832.db2.gz GTRXBMZQROYGNZ-RBSFLKMASA-N 1 3 304.394 0.289 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001550278816 1014647083 /nfs/dbraw/zinc/64/70/83/1014647083.db2.gz BURQOOFNXXNUNF-DKUMPPAJSA-N 1 3 310.442 0.537 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550722233 1014816695 /nfs/dbraw/zinc/81/66/95/1014816695.db2.gz GDNYVEATANVACY-FZKCQIBNSA-N 1 3 301.390 0.337 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)C[C@@H]1C(=O)N1CCOCC1 ZINC001550704826 1014810332 /nfs/dbraw/zinc/81/03/32/1014810332.db2.gz HZLVZALDOBQWEC-VYDXJSESSA-N 1 3 309.454 0.803 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)C[C@@H]1C(=O)N1CCOCC1 ZINC001550704826 1014810347 /nfs/dbraw/zinc/81/03/47/1014810347.db2.gz HZLVZALDOBQWEC-VYDXJSESSA-N 1 3 309.454 0.803 20 0 DCADHO CN(C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CCN(C)C1 ZINC001550756356 1014844194 /nfs/dbraw/zinc/84/41/94/1014844194.db2.gz PZWRUNHZKBQLGA-ZIAGYGMSSA-N 1 3 310.442 0.491 20 0 DCADHO Cc1nnsc1CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913909 1014911463 /nfs/dbraw/zinc/91/14/63/1014911463.db2.gz QLNWYLCVCOXYOZ-SMDDNHRTSA-N 1 3 309.439 0.583 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001524670796 1015039180 /nfs/dbraw/zinc/03/91/80/1015039180.db2.gz ZTOVIYQBSVQYOV-KKUMJFAQSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001524670796 1015039190 /nfs/dbraw/zinc/03/91/90/1015039190.db2.gz ZTOVIYQBSVQYOV-KKUMJFAQSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN(C)C1CCC1 ZINC001383099943 984673892 /nfs/dbraw/zinc/67/38/92/984673892.db2.gz WBOSEIOONHEOEM-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001450379325 1015101556 /nfs/dbraw/zinc/10/15/56/1015101556.db2.gz ZFHLLHFEJIELDW-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C1(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001450385373 1015106372 /nfs/dbraw/zinc/10/63/72/1015106372.db2.gz JBJOTGSBUAUGOB-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001450385373 1015106382 /nfs/dbraw/zinc/10/63/82/1015106382.db2.gz JBJOTGSBUAUGOB-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH2+][C@@H](C)CNC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551496947 1015116577 /nfs/dbraw/zinc/11/65/77/1015116577.db2.gz KXSZQINSCIIMOY-HLIUYOAVSA-N 1 3 312.458 0.927 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001531247919 1015120936 /nfs/dbraw/zinc/12/09/36/1015120936.db2.gz SEZBJCLDYUAWFQ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001531247919 1015120942 /nfs/dbraw/zinc/12/09/42/1015120942.db2.gz SEZBJCLDYUAWFQ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)N1CCN3C[C@H](O)C[C@@H]3C1)CC2 ZINC001551556742 1015136558 /nfs/dbraw/zinc/13/65/58/1015136558.db2.gz TZNAVXRZZZXKHI-NTTUHNMPSA-N 1 3 308.426 0.107 20 0 DCADHO CC[C@H](C(=O)N[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001531322329 1015141709 /nfs/dbraw/zinc/14/17/09/1015141709.db2.gz FHWAKABHTRCIFQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001385311629 986242553 /nfs/dbraw/zinc/24/25/53/986242553.db2.gz AORIVXVRSCJOGZ-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001385311629 986242561 /nfs/dbraw/zinc/24/25/61/986242561.db2.gz AORIVXVRSCJOGZ-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001385604308 986464004 /nfs/dbraw/zinc/46/40/04/986464004.db2.gz HUQZZQUNEBQXMO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385604308 986464006 /nfs/dbraw/zinc/46/40/06/986464006.db2.gz HUQZZQUNEBQXMO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001385628729 986484670 /nfs/dbraw/zinc/48/46/70/986484670.db2.gz SIESGQSQKBENPZ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001385628729 986484673 /nfs/dbraw/zinc/48/46/73/986484673.db2.gz SIESGQSQKBENPZ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386005827 986748549 /nfs/dbraw/zinc/74/85/49/986748549.db2.gz DXGNPVCWCQOVFL-BYNSBNAKSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386005827 986748558 /nfs/dbraw/zinc/74/85/58/986748558.db2.gz DXGNPVCWCQOVFL-BYNSBNAKSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001386018161 986756095 /nfs/dbraw/zinc/75/60/95/986756095.db2.gz WYGVRKLRFLCBNU-OKILXGFUSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001386280877 987031174 /nfs/dbraw/zinc/03/11/74/987031174.db2.gz ZWAOMAXQSLBPMG-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001386349087 987096374 /nfs/dbraw/zinc/09/63/74/987096374.db2.gz UGMMFMDNXNHDDW-GXTWGEPZSA-N 1 3 312.458 0.289 20 0 DCADHO O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@@H](N2CCCC2)C1 ZINC001552180825 1015307973 /nfs/dbraw/zinc/30/79/73/1015307973.db2.gz UUTYNRZQICDTLI-CHWSQXEVSA-N 1 3 304.398 0.123 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001386903314 987491318 /nfs/dbraw/zinc/49/13/18/987491318.db2.gz IFZAUYBCHUMSKL-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001386903314 987491322 /nfs/dbraw/zinc/49/13/22/987491322.db2.gz IFZAUYBCHUMSKL-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001387000771 987557935 /nfs/dbraw/zinc/55/79/35/987557935.db2.gz CWYKJVMCVFEWAK-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001387475009 987858024 /nfs/dbraw/zinc/85/80/24/987858024.db2.gz VBVIEGZHYLADJF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001387512058 987878244 /nfs/dbraw/zinc/87/82/44/987878244.db2.gz IQNHVUXQWUOMSS-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001387512058 987878252 /nfs/dbraw/zinc/87/82/52/987878252.db2.gz IQNHVUXQWUOMSS-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001387782039 988144928 /nfs/dbraw/zinc/14/49/28/988144928.db2.gz VXRATDSXUTTZOP-ZIAGYGMSSA-N 1 3 312.458 0.240 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001387906078 988268809 /nfs/dbraw/zinc/26/88/09/988268809.db2.gz BEUYVWQLUTXHBA-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001387906078 988268822 /nfs/dbraw/zinc/26/88/22/988268822.db2.gz BEUYVWQLUTXHBA-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001388728281 988543296 /nfs/dbraw/zinc/54/32/96/988543296.db2.gz RNJBIFVLOCSJHP-UBHSHLNASA-N 1 3 310.442 0.090 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552352967 1015403342 /nfs/dbraw/zinc/40/33/42/1015403342.db2.gz XYGWDIWUZCGCKQ-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO Cc1c(CN)c(NC(=O)c2cc(C3CC[NH2+]CC3)no2)nn1C ZINC001552438027 1015436888 /nfs/dbraw/zinc/43/68/88/1015436888.db2.gz GJFVDJXBYRFJBP-UHFFFAOYSA-N 1 3 318.381 0.895 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001389242124 989019547 /nfs/dbraw/zinc/01/95/47/989019547.db2.gz PZXJUIQDHORZFO-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001389242124 989019555 /nfs/dbraw/zinc/01/95/55/989019555.db2.gz PZXJUIQDHORZFO-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(CC)CC ZINC001450929418 1015458820 /nfs/dbraw/zinc/45/88/20/1015458820.db2.gz HYLVHVRYBHDHJI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(CC)CC ZINC001450929418 1015458825 /nfs/dbraw/zinc/45/88/25/1015458825.db2.gz HYLVHVRYBHDHJI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)CN(CC)CC)NC(=O)C12CC[NH+](CC1)C2 ZINC001450939754 1015468177 /nfs/dbraw/zinc/46/81/77/1015468177.db2.gz QGILXFNTABOKAJ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@H](O)CN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001389503555 989340308 /nfs/dbraw/zinc/34/03/08/989340308.db2.gz FILNFKNVQDUWFU-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001389531210 989368442 /nfs/dbraw/zinc/36/84/42/989368442.db2.gz YOEFESBJXQTACP-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001389809070 989600113 /nfs/dbraw/zinc/60/01/13/989600113.db2.gz WQHAPESMIRTWTI-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001389809070 989600117 /nfs/dbraw/zinc/60/01/17/989600117.db2.gz WQHAPESMIRTWTI-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)[C@H](C)CN1 ZINC001552692635 1015493434 /nfs/dbraw/zinc/49/34/34/1015493434.db2.gz FWKXNDVUTJDVEZ-HKUMRIAESA-N 1 3 306.414 0.543 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001389984418 989729208 /nfs/dbraw/zinc/72/92/08/989729208.db2.gz XLUZELVKIYHIEK-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001390109197 989828960 /nfs/dbraw/zinc/82/89/60/989828960.db2.gz LYQHGYDARYYOOM-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001552766697 1015519593 /nfs/dbraw/zinc/51/95/93/1015519593.db2.gz HERCWESWODRSQC-LSDHHAIUSA-N 1 3 309.458 0.112 20 0 DCADHO CN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001552766697 1015519601 /nfs/dbraw/zinc/51/96/01/1015519601.db2.gz HERCWESWODRSQC-LSDHHAIUSA-N 1 3 309.458 0.112 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001390593326 990229960 /nfs/dbraw/zinc/22/99/60/990229960.db2.gz OJGWTZZHVMGTOJ-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001390609261 990241862 /nfs/dbraw/zinc/24/18/62/990241862.db2.gz HIUASGFRZUGWMW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001390649295 990275580 /nfs/dbraw/zinc/27/55/80/990275580.db2.gz UPKLUGRVTGBQNJ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001451057533 1015563470 /nfs/dbraw/zinc/56/34/70/1015563470.db2.gz UBMJGQXNFVGOPC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001451057533 1015563477 /nfs/dbraw/zinc/56/34/77/1015563477.db2.gz UBMJGQXNFVGOPC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001391226537 990684491 /nfs/dbraw/zinc/68/44/91/990684491.db2.gz NFVCTCCPTPPGPI-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)CC[NH+]2CCCCC2)C1=O ZINC001391228360 990687249 /nfs/dbraw/zinc/68/72/49/990687249.db2.gz YXHJGHGBGVEKOI-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001391236141 990691071 /nfs/dbraw/zinc/69/10/71/990691071.db2.gz ONJCYKHRZDWGRT-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC1CCN(C(=O)CCC[NH+](C)C)CC1)[C@@H]1CCNC1=O ZINC001391367319 990785839 /nfs/dbraw/zinc/78/58/39/990785839.db2.gz RAYPRNFNKBUOLZ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(=O)N1CCO[C@@H]2CN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001553014196 1015590425 /nfs/dbraw/zinc/59/04/25/1015590425.db2.gz MCNRZBCFXKGUMT-SLUKUZTOSA-N 1 3 307.438 0.839 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001392027523 991408337 /nfs/dbraw/zinc/40/83/37/991408337.db2.gz RNFFFXKJNIYEHW-CQSZACIVSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(=O)N(C)C ZINC001392197260 991600214 /nfs/dbraw/zinc/60/02/14/991600214.db2.gz OGWMDZOQAJIXSO-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC(=O)N(C)C ZINC001392254389 991658613 /nfs/dbraw/zinc/65/86/13/991658613.db2.gz YEYFGWSLHKWXMB-DZGCQCFKSA-N 1 3 314.474 0.391 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C)cs1 ZINC001392434393 991925725 /nfs/dbraw/zinc/92/57/25/991925725.db2.gz XJNQBTLXMHTETN-AWEZNQCLSA-N 1 3 313.467 0.963 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CCCCN1C ZINC001392456127 991951057 /nfs/dbraw/zinc/95/10/57/991951057.db2.gz MHIFBMSYLVIDJZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392529785 992050869 /nfs/dbraw/zinc/05/08/69/992050869.db2.gz JCJCLIPBFHISCY-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392529785 992050877 /nfs/dbraw/zinc/05/08/77/992050877.db2.gz JCJCLIPBFHISCY-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001392588252 992130950 /nfs/dbraw/zinc/13/09/50/992130950.db2.gz VZLSMLPZVZJAIR-GVXVVHGQSA-N 1 3 308.430 0.438 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001392588252 992130954 /nfs/dbraw/zinc/13/09/54/992130954.db2.gz VZLSMLPZVZJAIR-GVXVVHGQSA-N 1 3 308.430 0.438 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C[C@@H]1C ZINC001393035064 992640838 /nfs/dbraw/zinc/64/08/38/992640838.db2.gz XNZBJMXVCYHPHC-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001393322243 992879276 /nfs/dbraw/zinc/87/92/76/992879276.db2.gz JUVOIIRNBIDHGL-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001393519095 993049665 /nfs/dbraw/zinc/04/96/65/993049665.db2.gz PPXHTTSRPLHBGM-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(O)(C[NH2+]CC3CC3)CC2)C1 ZINC001393774590 993244083 /nfs/dbraw/zinc/24/40/83/993244083.db2.gz WDXFJUZSQJUBBW-AWEZNQCLSA-N 1 3 309.454 0.681 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001393904617 993333504 /nfs/dbraw/zinc/33/35/04/993333504.db2.gz ZSKSWWKZXHZXDR-ORHYLEIMSA-N 1 3 308.430 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001394022850 993415321 /nfs/dbraw/zinc/41/53/21/993415321.db2.gz VVFOXSINZNITMN-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001394022850 993415325 /nfs/dbraw/zinc/41/53/25/993415325.db2.gz VVFOXSINZNITMN-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001394316869 993617889 /nfs/dbraw/zinc/61/78/89/993617889.db2.gz CJVYLMPMWVBSJK-TUVASFSCSA-N 1 3 318.421 0.591 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001394316869 993617896 /nfs/dbraw/zinc/61/78/96/993617896.db2.gz CJVYLMPMWVBSJK-TUVASFSCSA-N 1 3 318.421 0.591 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001394458192 993725599 /nfs/dbraw/zinc/72/55/99/993725599.db2.gz CLFHDMJWGATFQD-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001394534453 993806708 /nfs/dbraw/zinc/80/67/08/993806708.db2.gz BDJDWXJLPVWELI-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001400040353 994092680 /nfs/dbraw/zinc/09/26/80/994092680.db2.gz NUGLBFUJFQCZCG-MJBXVCDLSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001400040353 994092697 /nfs/dbraw/zinc/09/26/97/994092697.db2.gz NUGLBFUJFQCZCG-MJBXVCDLSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001400056216 994113825 /nfs/dbraw/zinc/11/38/25/994113825.db2.gz PVEFEKLAIPDPHQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001400056216 994113830 /nfs/dbraw/zinc/11/38/30/994113830.db2.gz PVEFEKLAIPDPHQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](F)CNC[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001394762353 994116510 /nfs/dbraw/zinc/11/65/10/994116510.db2.gz YUEJKJKOQBLOOO-CABCVRRESA-N 1 3 317.449 0.875 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001394968950 994318467 /nfs/dbraw/zinc/31/84/67/994318467.db2.gz BISHQDJLXLYOGG-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001400462994 994542655 /nfs/dbraw/zinc/54/26/55/994542655.db2.gz AZXVMJLVXAFVKF-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400754235 994880616 /nfs/dbraw/zinc/88/06/16/994880616.db2.gz SUNIJCUTVCFPQT-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001400903162 995051638 /nfs/dbraw/zinc/05/16/38/995051638.db2.gz UVRPGBCMTNWRII-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001400903162 995051645 /nfs/dbraw/zinc/05/16/45/995051645.db2.gz UVRPGBCMTNWRII-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCC1)N(C)C ZINC001400961955 995088596 /nfs/dbraw/zinc/08/85/96/995088596.db2.gz ZYEAUSFYOCCFPW-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001396922968 995686244 /nfs/dbraw/zinc/68/62/44/995686244.db2.gz YPOKKSOLPUUXCJ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001396922968 995686245 /nfs/dbraw/zinc/68/62/45/995686245.db2.gz YPOKKSOLPUUXCJ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001397171776 995840936 /nfs/dbraw/zinc/84/09/36/995840936.db2.gz LMDUSHPUAYXAPI-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001397175572 995843703 /nfs/dbraw/zinc/84/37/03/995843703.db2.gz RBKBVUQPGRROOA-SNPRPXQTSA-N 1 3 324.425 0.176 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001397520180 996044332 /nfs/dbraw/zinc/04/43/32/996044332.db2.gz FPIKECKPWHJZHS-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001397631550 996107487 /nfs/dbraw/zinc/10/74/87/996107487.db2.gz MBQFZSCYXKLLSL-KFWWJZLASA-N 1 3 320.441 0.104 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001398452819 996524364 /nfs/dbraw/zinc/52/43/64/996524364.db2.gz MIKLNZWFCIVGPC-BBRMVZONSA-N 1 3 315.433 0.676 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398468402 996531580 /nfs/dbraw/zinc/53/15/80/996531580.db2.gz FRRQLNNUPUEYKJ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001398565054 996575156 /nfs/dbraw/zinc/57/51/56/996575156.db2.gz OTEBDCBDFJJGMX-KBUPBQIOSA-N 1 3 324.469 0.621 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)CC(C)(C)C ZINC001398619942 996606900 /nfs/dbraw/zinc/60/69/00/996606900.db2.gz GIZVTLUZRHIIGD-OKILXGFUSA-N 1 3 322.457 0.493 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCc1ccnn1C ZINC001398951717 996769951 /nfs/dbraw/zinc/76/99/51/996769951.db2.gz PFCDYCCVMHWNQE-ZDUSSCGKSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCCN(C)C1=O ZINC001399037376 996872304 /nfs/dbraw/zinc/87/23/04/996872304.db2.gz MRORJRDRESTMTD-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC(C)CC1 ZINC001399047345 996888930 /nfs/dbraw/zinc/88/89/30/996888930.db2.gz VYLFAMXZQSULLE-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001399090165 996946011 /nfs/dbraw/zinc/94/60/11/996946011.db2.gz PRYXHISCJSVUTJ-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001404308858 996953079 /nfs/dbraw/zinc/95/30/79/996953079.db2.gz DHDNXXBBNPVBOX-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001404350367 997023152 /nfs/dbraw/zinc/02/31/52/997023152.db2.gz WHIIJGIOBWVTNE-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001404508599 997184450 /nfs/dbraw/zinc/18/44/50/997184450.db2.gz GYFOIZVKFBKBCZ-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO COc1nccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCN2C)n1 ZINC001399322422 997208954 /nfs/dbraw/zinc/20/89/54/997208954.db2.gz NXDLAAMPMRUNLB-GXTWGEPZSA-N 1 3 321.425 0.564 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001404653921 997338655 /nfs/dbraw/zinc/33/86/55/997338655.db2.gz KVIRDWOEPWWPRQ-ZIAGYGMSSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404653921 997338724 /nfs/dbraw/zinc/33/87/24/997338724.db2.gz KVIRDWOEPWWPRQ-ZIAGYGMSSA-N 1 3 324.469 0.241 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001502890539 1016119124 /nfs/dbraw/zinc/11/91/24/1016119124.db2.gz FFLHMKPBIKOCFV-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001502890539 1016119129 /nfs/dbraw/zinc/11/91/29/1016119129.db2.gz FFLHMKPBIKOCFV-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@@H]1CCCN(C)C1=O ZINC001405354033 998144701 /nfs/dbraw/zinc/14/47/01/998144701.db2.gz NUTHWEYXILSBSG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCC1)N(C)C ZINC001405396198 998188273 /nfs/dbraw/zinc/18/82/73/998188273.db2.gz ZYEAUSFYOCCFPW-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CCc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001507260461 1016192431 /nfs/dbraw/zinc/19/24/31/1016192431.db2.gz LJKSTNRJJRNTQQ-IRXDYDNUSA-N 1 3 319.449 0.767 20 0 DCADHO CCc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001507260461 1016192434 /nfs/dbraw/zinc/19/24/34/1016192434.db2.gz LJKSTNRJJRNTQQ-IRXDYDNUSA-N 1 3 319.449 0.767 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC ZINC001405595599 998370996 /nfs/dbraw/zinc/37/09/96/998370996.db2.gz UBTBCYGSULMRBE-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC ZINC001405595599 998371005 /nfs/dbraw/zinc/37/10/05/998371005.db2.gz UBTBCYGSULMRBE-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001405717619 998497159 /nfs/dbraw/zinc/49/71/59/998497159.db2.gz LUOBMDZCZOGUMW-ZDUSSCGKSA-N 1 3 307.442 0.967 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CC(C[NH+](C)C)C2)cn1 ZINC001468179263 1016229870 /nfs/dbraw/zinc/22/98/70/1016229870.db2.gz SBSQSNGVXUMQFM-CVEARBPZSA-N 1 3 319.453 0.475 20 0 DCADHO C[N@H+](CCn1cncn1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001505461837 1016259600 /nfs/dbraw/zinc/25/96/00/1016259600.db2.gz KAYWIQLDWUEAOC-OAHLLOKOSA-N 1 3 320.441 0.297 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507327102 1016255147 /nfs/dbraw/zinc/25/51/47/1016255147.db2.gz XJFXWBKQGTWZNU-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+](CCn1cncn1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001505461837 1016259606 /nfs/dbraw/zinc/25/96/06/1016259606.db2.gz KAYWIQLDWUEAOC-OAHLLOKOSA-N 1 3 320.441 0.297 20 0 DCADHO CCCNC(=O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001505501678 1016276615 /nfs/dbraw/zinc/27/66/15/1016276615.db2.gz FIOWSTLEJDXASU-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001505501797 1016277908 /nfs/dbraw/zinc/27/79/08/1016277908.db2.gz JVRNGHSRCNCLLZ-SSDMNJCBSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001505531037 1016288056 /nfs/dbraw/zinc/28/80/56/1016288056.db2.gz NJGMTDXTYIBCTI-YMAMQOFZSA-N 1 3 322.457 0.349 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001469771519 1016363815 /nfs/dbraw/zinc/36/38/15/1016363815.db2.gz IGTQQKLZADPXIQ-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC001469771519 1016363826 /nfs/dbraw/zinc/36/38/26/1016363826.db2.gz IGTQQKLZADPXIQ-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)on1 ZINC001401133427 1000217368 /nfs/dbraw/zinc/21/73/68/1000217368.db2.gz FSSLXXHTBHJLIY-QWHCGFSZSA-N 1 3 324.425 0.867 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)on1 ZINC001401133427 1000217374 /nfs/dbraw/zinc/21/73/74/1000217374.db2.gz FSSLXXHTBHJLIY-QWHCGFSZSA-N 1 3 324.425 0.867 20 0 DCADHO C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240143 1000299816 /nfs/dbraw/zinc/29/98/16/1000299816.db2.gz GFKCCSXTDZFEIZ-GXSJLCMTSA-N 1 3 322.331 0.702 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001401267561 1000321516 /nfs/dbraw/zinc/32/15/16/1000321516.db2.gz TWDVICXDVDYQRK-KGLIPLIRSA-N 1 3 322.457 0.542 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001418680637 1000446352 /nfs/dbraw/zinc/44/63/52/1000446352.db2.gz FMZRCZRUPDYNKS-JOCQHMNTSA-N 1 3 320.441 0.284 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418704996 1000462503 /nfs/dbraw/zinc/46/25/03/1000462503.db2.gz SDSQYMMQRUQYQI-YDHLFZDLSA-N 1 3 312.458 0.193 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418714643 1000470135 /nfs/dbraw/zinc/47/01/35/1000470135.db2.gz HBLMJOJIBUBOKR-HZSPNIEDSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001418724218 1000474768 /nfs/dbraw/zinc/47/47/68/1000474768.db2.gz COGHFAADXWGECZ-ZNMIVQPWSA-N 1 3 322.457 0.493 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@@H](C)C1 ZINC001401550834 1000487748 /nfs/dbraw/zinc/48/77/48/1000487748.db2.gz FLWVLGBMZWCIIO-CZUORRHYSA-N 1 3 320.437 0.299 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCCO)[C@@H]1C ZINC001418791925 1000522490 /nfs/dbraw/zinc/52/24/90/1000522490.db2.gz QRQHXVGITMMMHH-MCIONIFRSA-N 1 3 303.422 0.628 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C ZINC001418791925 1000522491 /nfs/dbraw/zinc/52/24/91/1000522491.db2.gz QRQHXVGITMMMHH-MCIONIFRSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001401626333 1000564577 /nfs/dbraw/zinc/56/45/77/1000564577.db2.gz OIRAAPYXCJYOIT-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001401635889 1000576194 /nfs/dbraw/zinc/57/61/94/1000576194.db2.gz BFOOSXJHMOGUAQ-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401681286 1000620216 /nfs/dbraw/zinc/62/02/16/1000620216.db2.gz QVKREPAGADUTCC-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)C1 ZINC001401697524 1000635661 /nfs/dbraw/zinc/63/56/61/1000635661.db2.gz MZKOZRLQADJZNE-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)C1 ZINC001401697524 1000635663 /nfs/dbraw/zinc/63/56/63/1000635663.db2.gz MZKOZRLQADJZNE-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001401699568 1000637732 /nfs/dbraw/zinc/63/77/32/1000637732.db2.gz MLGMBYBWWINRHZ-QWRGUYRKSA-N 1 3 308.430 0.610 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001401704619 1000643567 /nfs/dbraw/zinc/64/35/67/1000643567.db2.gz POYMFVCZMCNIRF-YNEHKIRRSA-N 1 3 300.447 0.144 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401719549 1000657362 /nfs/dbraw/zinc/65/73/62/1000657362.db2.gz XIPDOIWBUXDITM-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505681856 1016440699 /nfs/dbraw/zinc/44/06/99/1016440699.db2.gz OUYJZFYJJJLZJY-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnn(C)c1 ZINC001419190105 1000863267 /nfs/dbraw/zinc/86/32/67/1000863267.db2.gz BJJAOWSMUXLLNF-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+][C@@H]2CCCNC2=O)C2CC2)CCC1 ZINC001419259947 1000926382 /nfs/dbraw/zinc/92/63/82/1000926382.db2.gz IPTCHBFPSXSOCP-KGLIPLIRSA-N 1 3 322.453 0.234 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001419377201 1001007925 /nfs/dbraw/zinc/00/79/25/1001007925.db2.gz WGYVZZFFVYHTRX-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001419415098 1001033530 /nfs/dbraw/zinc/03/35/30/1001033530.db2.gz USNVKTVPFZYEJP-SYQHCUMBSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001419461555 1001069079 /nfs/dbraw/zinc/06/90/79/1001069079.db2.gz NLUHJHOUZBXGLO-JALIKCBVSA-N 1 3 322.453 0.327 20 0 DCADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001419461555 1001069086 /nfs/dbraw/zinc/06/90/86/1001069086.db2.gz NLUHJHOUZBXGLO-JALIKCBVSA-N 1 3 322.453 0.327 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001419498487 1001098417 /nfs/dbraw/zinc/09/84/17/1001098417.db2.gz INXUJPJGXVKFRQ-QLFBSQMISA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001419609385 1001170521 /nfs/dbraw/zinc/17/05/21/1001170521.db2.gz VGEKCPJLJVBVFB-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001419609385 1001170523 /nfs/dbraw/zinc/17/05/23/1001170523.db2.gz VGEKCPJLJVBVFB-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001419669071 1001210444 /nfs/dbraw/zinc/21/04/44/1001210444.db2.gz UXDKNNVKLISFST-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001419669071 1001210453 /nfs/dbraw/zinc/21/04/53/1001210453.db2.gz UXDKNNVKLISFST-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001419794212 1001312488 /nfs/dbraw/zinc/31/24/88/1001312488.db2.gz PTACRAKCFJPPGD-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001402462022 1001332741 /nfs/dbraw/zinc/33/27/41/1001332741.db2.gz OFZRUTPRRSEWDQ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001402462022 1001332747 /nfs/dbraw/zinc/33/27/47/1001332747.db2.gz OFZRUTPRRSEWDQ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402529658 1001387234 /nfs/dbraw/zinc/38/72/34/1001387234.db2.gz UADWWBCOAUNWDA-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001419930276 1001414385 /nfs/dbraw/zinc/41/43/85/1001414385.db2.gz CHMNOTASONSJNU-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001402581428 1001421997 /nfs/dbraw/zinc/42/19/97/1001421997.db2.gz ULFKBCLGJJHGPZ-BETUJISGSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001402581428 1001422002 /nfs/dbraw/zinc/42/20/02/1001422002.db2.gz ULFKBCLGJJHGPZ-BETUJISGSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001402678106 1001467680 /nfs/dbraw/zinc/46/76/80/1001467680.db2.gz GAVUHUUPFDWCBO-WCQYABFASA-N 1 3 307.398 0.044 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001402755904 1001490964 /nfs/dbraw/zinc/49/09/64/1001490964.db2.gz COIZOJRWPHPWFZ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)NC1CC1 ZINC001402788909 1001503198 /nfs/dbraw/zinc/50/31/98/1001503198.db2.gz ZQTHHCYUFREOGB-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505732896 1016501702 /nfs/dbraw/zinc/50/17/02/1016501702.db2.gz NBLCOXMZEULPFC-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ncc(CN[C@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001505733290 1016504064 /nfs/dbraw/zinc/50/40/64/1016504064.db2.gz RBFZPGJSNNFLTA-OLZOCXBDSA-N 1 3 317.437 0.864 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001402921897 1001580024 /nfs/dbraw/zinc/58/00/24/1001580024.db2.gz QNGBIZVWDKRIGQ-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CCCC1 ZINC001403215683 1001738779 /nfs/dbraw/zinc/73/87/79/1001738779.db2.gz YFUHMMFSVGNRAW-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420012473 1001763510 /nfs/dbraw/zinc/76/35/10/1001763510.db2.gz KCGHNHYSFRXPJX-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001403254357 1001764773 /nfs/dbraw/zinc/76/47/73/1001764773.db2.gz GQACPGHATNICRA-GFCCVEGCSA-N 1 3 311.455 0.816 20 0 DCADHO COC[C@@H](O)CN1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001403319605 1001811744 /nfs/dbraw/zinc/81/17/44/1001811744.db2.gz ITDAQRQEHOSGNV-VHDGCEQUSA-N 1 3 315.458 0.016 20 0 DCADHO CN(CCN1CCCC1=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403332511 1001828273 /nfs/dbraw/zinc/82/82/73/1001828273.db2.gz NRIWCHOKKKPUGF-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001420133698 1001924558 /nfs/dbraw/zinc/92/45/58/1001924558.db2.gz UPYHERBDNGEXGV-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)OCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507729712 1016557340 /nfs/dbraw/zinc/55/73/40/1016557340.db2.gz YMNWOUUJSOMYBG-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)OCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507729712 1016557352 /nfs/dbraw/zinc/55/73/52/1016557352.db2.gz YMNWOUUJSOMYBG-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO COc1ncc(CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)c(C)n1 ZINC001424804266 1002043127 /nfs/dbraw/zinc/04/31/27/1002043127.db2.gz KOKRNPFTJOYMSX-VXGBXAGGSA-N 1 3 323.441 0.728 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC001505790225 1016560415 /nfs/dbraw/zinc/56/04/15/1016560415.db2.gz UANXBFPUISYOQX-HSBZDZAISA-N 1 3 312.458 0.561 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)C1(N(C)C)CCC1 ZINC001420231431 1002083859 /nfs/dbraw/zinc/08/38/59/1002083859.db2.gz FULMXUOFBZDJRJ-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001424860357 1002102285 /nfs/dbraw/zinc/10/22/85/1002102285.db2.gz RYBDQIQHCPXATO-QWHCGFSZSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001403556867 1002135689 /nfs/dbraw/zinc/13/56/89/1002135689.db2.gz TVOYZRNUYSQSHE-YPMHNXCESA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001403605897 1002197906 /nfs/dbraw/zinc/19/79/06/1002197906.db2.gz UUVCDHJGIGHUGS-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001403742811 1002452727 /nfs/dbraw/zinc/45/27/27/1002452727.db2.gz JGHPYAUKVWJUQQ-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N2CCCC2)CN1C(=O)CCC[NH+](C)C ZINC001403742193 1002452905 /nfs/dbraw/zinc/45/29/05/1002452905.db2.gz LKILLPHEIBSHQZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001403750574 1002465564 /nfs/dbraw/zinc/46/55/64/1002465564.db2.gz KVRNBCZSNIHZBF-ZIAGYGMSSA-N 1 3 315.458 0.208 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001403801124 1002544254 /nfs/dbraw/zinc/54/42/54/1002544254.db2.gz GLDAHORSYJYBNC-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H]3CN(CC(N)=O)C[C@H]3C2)CC1 ZINC001425375795 1002620247 /nfs/dbraw/zinc/62/02/47/1002620247.db2.gz VZTKXVORRMOSAP-BFHYXJOUSA-N 1 3 322.453 0.030 20 0 DCADHO COc1nccc(CNC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001425414130 1002655448 /nfs/dbraw/zinc/65/54/48/1002655448.db2.gz CDFCYDIQHSXATI-MQMHXKEQSA-N 1 3 321.425 0.421 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001425442327 1002679700 /nfs/dbraw/zinc/67/97/00/1002679700.db2.gz VQEYDNVAMDPFKZ-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCF ZINC001403908534 1002725458 /nfs/dbraw/zinc/72/54/58/1002725458.db2.gz DJTKIUUYHRUBRP-GJZGRUSLSA-N 1 3 317.449 0.972 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCF ZINC001403908534 1002725469 /nfs/dbraw/zinc/72/54/69/1002725469.db2.gz DJTKIUUYHRUBRP-GJZGRUSLSA-N 1 3 317.449 0.972 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C)C(N)=O ZINC001403953030 1002789705 /nfs/dbraw/zinc/78/97/05/1002789705.db2.gz CGALCVFPUSYETI-NEPJUHHUSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001425557368 1002809109 /nfs/dbraw/zinc/80/91/09/1002809109.db2.gz OHEYPHKUKVKGKU-CHWSQXEVSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001420772876 1002935649 /nfs/dbraw/zinc/93/56/49/1002935649.db2.gz RHBGEHSMPGWHED-BXUZGUMPSA-N 1 3 310.442 0.077 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001420862134 1003052151 /nfs/dbraw/zinc/05/21/51/1003052151.db2.gz QKFIDZUQHIGKJZ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001420862134 1003052169 /nfs/dbraw/zinc/05/21/69/1003052169.db2.gz QKFIDZUQHIGKJZ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001420865567 1003054297 /nfs/dbraw/zinc/05/42/97/1003054297.db2.gz BVJFGAUFJFNDJW-CABCVRRESA-N 1 3 318.421 0.745 20 0 DCADHO COCCN1CC[C@@H](NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001420865581 1003055990 /nfs/dbraw/zinc/05/59/90/1003055990.db2.gz BVJFGAUFJFNDJW-LSDHHAIUSA-N 1 3 318.421 0.745 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001405846036 1003135769 /nfs/dbraw/zinc/13/57/69/1003135769.db2.gz INNDMQWVBFGQPI-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001420940278 1003158409 /nfs/dbraw/zinc/15/84/09/1003158409.db2.gz OQRJSBZZJOXZIQ-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001420940278 1003158415 /nfs/dbraw/zinc/15/84/15/1003158415.db2.gz OQRJSBZZJOXZIQ-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCc2ccnn2C)CC1)C1CCC1 ZINC001420955230 1003172995 /nfs/dbraw/zinc/17/29/95/1003172995.db2.gz CESODGCLTSWFQU-UHFFFAOYSA-N 1 3 319.453 0.685 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@@H]2CCCN(C)C2=O)CC1)[NH+](C)C ZINC001420993025 1003212913 /nfs/dbraw/zinc/21/29/13/1003212913.db2.gz GDDFVCQZSQPMQL-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001425881063 1003214061 /nfs/dbraw/zinc/21/40/61/1003214061.db2.gz JGMQDBFQCKNBAK-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001425881477 1003214632 /nfs/dbraw/zinc/21/46/32/1003214632.db2.gz OTQHNPXVLUVLDL-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C[C@H]1C ZINC001421097579 1003315187 /nfs/dbraw/zinc/31/51/87/1003315187.db2.gz BVJMHTSXPABNBK-KGLIPLIRSA-N 1 3 322.457 0.624 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001421107856 1003326489 /nfs/dbraw/zinc/32/64/89/1003326489.db2.gz SKRBPINNJOLVJY-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C)C1CC1 ZINC001421128967 1003358651 /nfs/dbraw/zinc/35/86/51/1003358651.db2.gz LQLKMFXGDUKPQE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001421260572 1003487020 /nfs/dbraw/zinc/48/70/20/1003487020.db2.gz ZOIDCNYJFOVUFC-IUODEOHRSA-N 1 3 307.398 0.044 20 0 DCADHO O=C(C[NH+]1CCCC1)NC[C@]1(O)CCN(C/C=C/Cl)C1 ZINC001421384238 1003610042 /nfs/dbraw/zinc/61/00/42/1003610042.db2.gz FDNAAFHDNGPACY-LYKUJDHUSA-N 1 3 301.818 0.388 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406359220 1003637087 /nfs/dbraw/zinc/63/70/87/1003637087.db2.gz BNYVKFCHZMZQOB-HIFRSBDPSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001406367913 1003646343 /nfs/dbraw/zinc/64/63/43/1003646343.db2.gz LSLXMCLRJLGHMJ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001406417546 1003699695 /nfs/dbraw/zinc/69/96/95/1003699695.db2.gz FGXZOJOOYBRZDY-OLZOCXBDSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001426812730 1004054817 /nfs/dbraw/zinc/05/48/17/1004054817.db2.gz IFRIYGUVKMPJET-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC(=O)NC2CC2)C2CC2)CCC1 ZINC001406770268 1004079609 /nfs/dbraw/zinc/07/96/09/1004079609.db2.gz FCLWMSUYUQFCRN-CQSZACIVSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001427453520 1004397501 /nfs/dbraw/zinc/39/75/01/1004397501.db2.gz KIBILLQCZJPDTR-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001407262012 1004504314 /nfs/dbraw/zinc/50/43/14/1004504314.db2.gz WCYOOWYJTPYTKE-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001407599338 1004752384 /nfs/dbraw/zinc/75/23/84/1004752384.db2.gz WEKGXBQJPFVKHM-IYBDPMFKSA-N 1 3 319.453 0.652 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001407599338 1004752385 /nfs/dbraw/zinc/75/23/85/1004752385.db2.gz WEKGXBQJPFVKHM-IYBDPMFKSA-N 1 3 319.453 0.652 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1 ZINC001407701335 1004814793 /nfs/dbraw/zinc/81/47/93/1004814793.db2.gz PBWAPCDIBRXEHH-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001407718786 1004819260 /nfs/dbraw/zinc/81/92/60/1004819260.db2.gz QJYHRXMEOVJAAX-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001408184211 1005096182 /nfs/dbraw/zinc/09/61/82/1005096182.db2.gz BSWPXBMRWMEIOY-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001408184211 1005096187 /nfs/dbraw/zinc/09/61/87/1005096187.db2.gz BSWPXBMRWMEIOY-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001408256609 1005128421 /nfs/dbraw/zinc/12/84/21/1005128421.db2.gz RAJWDAGSLCYUQN-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@H+](CC)CC(N)=O)CC1 ZINC001408288469 1005142538 /nfs/dbraw/zinc/14/25/38/1005142538.db2.gz ABWASYLNFAXSFS-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](CC)CC(N)=O)CC1 ZINC001408288469 1005142542 /nfs/dbraw/zinc/14/25/42/1005142542.db2.gz ABWASYLNFAXSFS-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001413943786 1005229472 /nfs/dbraw/zinc/22/94/72/1005229472.db2.gz HRDASJJVZZGPKC-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NCC1CC[NH+](C)CC1 ZINC001414505576 1005348233 /nfs/dbraw/zinc/34/82/33/1005348233.db2.gz NRBUFLYZILFXIV-UHFFFAOYSA-N 1 3 308.430 0.908 20 0 DCADHO COC(=O)[C@@H](F)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001414695522 1005385643 /nfs/dbraw/zinc/38/56/43/1005385643.db2.gz IDJNVERWMLQXNU-RYUDHWBXSA-N 1 3 320.409 0.069 20 0 DCADHO COC(=O)[C@@H](F)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001414695522 1005385646 /nfs/dbraw/zinc/38/56/46/1005385646.db2.gz IDJNVERWMLQXNU-RYUDHWBXSA-N 1 3 320.409 0.069 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001414971664 1005434499 /nfs/dbraw/zinc/43/44/99/1005434499.db2.gz OUNZTNHHKPSSEC-RYPNDVFKSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001414971664 1005434500 /nfs/dbraw/zinc/43/45/00/1005434500.db2.gz OUNZTNHHKPSSEC-RYPNDVFKSA-N 1 3 324.469 0.430 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001415312300 1005500339 /nfs/dbraw/zinc/50/03/39/1005500339.db2.gz GBHCSZIXTNMSFK-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001415312300 1005500341 /nfs/dbraw/zinc/50/03/41/1005500341.db2.gz GBHCSZIXTNMSFK-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001415326818 1005503373 /nfs/dbraw/zinc/50/33/73/1005503373.db2.gz QSECJZZFBWDDBP-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001415619766 1005577532 /nfs/dbraw/zinc/57/75/32/1005577532.db2.gz GGYGJVZMUYSFEE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001415619766 1005577533 /nfs/dbraw/zinc/57/75/33/1005577533.db2.gz GGYGJVZMUYSFEE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001417800328 1005893155 /nfs/dbraw/zinc/89/31/55/1005893155.db2.gz HLHBFUGUJBTUEO-RBSFLKMASA-N 1 3 322.457 0.349 20 0 DCADHO CCCNC(=O)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001417992664 1005949600 /nfs/dbraw/zinc/94/96/00/1005949600.db2.gz GLWBQSWTRMXEKZ-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001434783808 1005971910 /nfs/dbraw/zinc/97/19/10/1005971910.db2.gz CLTVLOABXCAGDA-KFWWJZLASA-N 1 3 307.438 0.528 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438694275 1006038850 /nfs/dbraw/zinc/03/88/50/1006038850.db2.gz QDBAUJVCFWEGEL-OLZOCXBDSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001418107995 1006049530 /nfs/dbraw/zinc/04/95/30/1006049530.db2.gz FEYPZSQPLQWEMY-SOUVJXGZSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438713692 1006059529 /nfs/dbraw/zinc/05/95/29/1006059529.db2.gz XIATWDJIKQGEQH-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438713692 1006059542 /nfs/dbraw/zinc/05/95/42/1006059542.db2.gz XIATWDJIKQGEQH-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)CCC1 ZINC001418117755 1006063136 /nfs/dbraw/zinc/06/31/36/1006063136.db2.gz COPWPJKXSWORGE-TXEJJXNPSA-N 1 3 306.414 0.036 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001418140216 1006096714 /nfs/dbraw/zinc/09/67/14/1006096714.db2.gz AZDLHNMKJNWYEV-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001438774152 1006110050 /nfs/dbraw/zinc/11/00/50/1006110050.db2.gz QAYQTRSTKSITSP-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001438808861 1006134780 /nfs/dbraw/zinc/13/47/80/1006134780.db2.gz SKAFELNHYPBHRN-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418226030 1006199824 /nfs/dbraw/zinc/19/98/24/1006199824.db2.gz KIXKPMQCUULUSE-UXIGCNINSA-N 1 3 307.442 0.663 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418226030 1006199835 /nfs/dbraw/zinc/19/98/35/1006199835.db2.gz KIXKPMQCUULUSE-UXIGCNINSA-N 1 3 307.442 0.663 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001436662413 1006243469 /nfs/dbraw/zinc/24/34/69/1006243469.db2.gz CXKBRFSYRFHFMX-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001438950071 1006256722 /nfs/dbraw/zinc/25/67/22/1006256722.db2.gz LWPNXHXYQXHUGW-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)N(C)C)C1 ZINC001438950071 1006256730 /nfs/dbraw/zinc/25/67/30/1006256730.db2.gz LWPNXHXYQXHUGW-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001418303333 1006336838 /nfs/dbraw/zinc/33/68/38/1006336838.db2.gz NKFUEVQDVRGKFA-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001418303333 1006336850 /nfs/dbraw/zinc/33/68/50/1006336850.db2.gz NKFUEVQDVRGKFA-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001436824326 1006395466 /nfs/dbraw/zinc/39/54/66/1006395466.db2.gz DUUJQCAOCZXPAQ-WFASDCNBSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001436824326 1006395474 /nfs/dbraw/zinc/39/54/74/1006395474.db2.gz DUUJQCAOCZXPAQ-WFASDCNBSA-N 1 3 322.453 0.091 20 0 DCADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001436871758 1006428193 /nfs/dbraw/zinc/42/81/93/1006428193.db2.gz HUDYOEOCPOGSNR-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001436919171 1006457857 /nfs/dbraw/zinc/45/78/57/1006457857.db2.gz DCYHYHJPINXPOR-SHTZXODSSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cnc(C)nc2)C1 ZINC001436919171 1006457861 /nfs/dbraw/zinc/45/78/61/1006457861.db2.gz DCYHYHJPINXPOR-SHTZXODSSA-N 1 3 305.426 0.864 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001436978784 1006495800 /nfs/dbraw/zinc/49/58/00/1006495800.db2.gz PTCKDDHREYBXIE-MJBXVCDLSA-N 1 3 310.442 0.184 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001437076163 1006572635 /nfs/dbraw/zinc/57/26/35/1006572635.db2.gz WPQUDEOLMNQJGQ-RGDJUOJXSA-N 1 3 301.406 0.094 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001437076163 1006572640 /nfs/dbraw/zinc/57/26/40/1006572640.db2.gz WPQUDEOLMNQJGQ-RGDJUOJXSA-N 1 3 301.406 0.094 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001437129361 1006625149 /nfs/dbraw/zinc/62/51/49/1006625149.db2.gz JIFNQAJLLWTBJZ-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(C)(C)C ZINC001437203196 1006700133 /nfs/dbraw/zinc/70/01/33/1006700133.db2.gz QRYNHKLHTOBAMH-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)N1CCCCC1 ZINC001437245920 1006760232 /nfs/dbraw/zinc/76/02/32/1006760232.db2.gz LZANAZAHMAMQLG-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)N1CCCCC1 ZINC001437245920 1006760240 /nfs/dbraw/zinc/76/02/40/1006760240.db2.gz LZANAZAHMAMQLG-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCCN(C)C1=O ZINC001437260411 1006779621 /nfs/dbraw/zinc/77/96/21/1006779621.db2.gz IXKOYYPJRWTDIC-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCC[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001437335870 1006855327 /nfs/dbraw/zinc/85/53/27/1006855327.db2.gz ZYBGOHWPSCAWSQ-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cccn1 ZINC001437381735 1006905530 /nfs/dbraw/zinc/90/55/30/1006905530.db2.gz NURCHGMEWRIBSQ-CQSZACIVSA-N 1 3 307.442 0.852 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001439500316 1006929563 /nfs/dbraw/zinc/92/95/63/1006929563.db2.gz TZDFWQIZQQKRAD-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nncn1C ZINC001439519084 1006949811 /nfs/dbraw/zinc/94/98/11/1006949811.db2.gz VNZOPBOOUBEUNX-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001439607122 1007068297 /nfs/dbraw/zinc/06/82/97/1007068297.db2.gz LAHUIYKLVKHDKO-MELADBBJSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001439607122 1007068310 /nfs/dbraw/zinc/06/83/10/1007068310.db2.gz LAHUIYKLVKHDKO-MELADBBJSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001452833263 1007103053 /nfs/dbraw/zinc/10/30/53/1007103053.db2.gz AFHOJXBUNXVMAK-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001452833263 1007103058 /nfs/dbraw/zinc/10/30/58/1007103058.db2.gz AFHOJXBUNXVMAK-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001439884376 1007286104 /nfs/dbraw/zinc/28/61/04/1007286104.db2.gz KAQHVDNYHYZURS-MRXNPFEDSA-N 1 3 316.409 0.714 20 0 DCADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CC2CC2)C1)N1CCCC1 ZINC001440006375 1007406088 /nfs/dbraw/zinc/40/60/88/1007406088.db2.gz VRUIWNACYITCSM-KRWDZBQOSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1)N1CCCC1 ZINC001440006375 1007406094 /nfs/dbraw/zinc/40/60/94/1007406094.db2.gz VRUIWNACYITCSM-KRWDZBQOSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H](NCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001437841386 1007456760 /nfs/dbraw/zinc/45/67/60/1007456760.db2.gz JRCFAAVJISJZCR-GFCCVEGCSA-N 1 3 306.410 0.284 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1ccn(C)n1 ZINC001440138803 1007517060 /nfs/dbraw/zinc/51/70/60/1007517060.db2.gz XQCLSJWUWQDGTJ-KBPBESRZSA-N 1 3 307.442 0.556 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001437996078 1007573063 /nfs/dbraw/zinc/57/30/63/1007573063.db2.gz WAFDSGPBFUJPCK-UMVBOHGHSA-N 1 3 324.469 0.371 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001437996078 1007573069 /nfs/dbraw/zinc/57/30/69/1007573069.db2.gz WAFDSGPBFUJPCK-UMVBOHGHSA-N 1 3 324.469 0.371 20 0 DCADHO COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC001440258097 1007616413 /nfs/dbraw/zinc/61/64/13/1007616413.db2.gz VYQNVZDIORVZPP-CABCVRRESA-N 1 3 313.442 0.134 20 0 DCADHO COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC001440258097 1007616418 /nfs/dbraw/zinc/61/64/18/1007616418.db2.gz VYQNVZDIORVZPP-CABCVRRESA-N 1 3 313.442 0.134 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001440297917 1007650351 /nfs/dbraw/zinc/65/03/51/1007650351.db2.gz CGWNWFWNLZDRSQ-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001440319235 1007667832 /nfs/dbraw/zinc/66/78/32/1007667832.db2.gz NJSYAYOARQCORR-OKILXGFUSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCCC1 ZINC001438399238 1007883972 /nfs/dbraw/zinc/88/39/72/1007883972.db2.gz VOVDKSBBHNSONA-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO C[NH+](C)CCC(=O)NCCC1CCN(CC(=O)N2CCC2)CC1 ZINC001438455376 1007919636 /nfs/dbraw/zinc/91/96/36/1007919636.db2.gz LEXVKFBYTOWAOU-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001440664034 1007945746 /nfs/dbraw/zinc/94/57/46/1007945746.db2.gz FCXBLYCUELCQME-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)NC1(CO)CCN(CCO)CC1)[NH+](CC)CC ZINC001440699121 1007962918 /nfs/dbraw/zinc/96/29/18/1007962918.db2.gz YOFPXFVDVGUEPO-CQSZACIVSA-N 1 3 315.458 0.042 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(=O)NC1CC1 ZINC001438515639 1007964926 /nfs/dbraw/zinc/96/49/26/1007964926.db2.gz DHXIKALZWXSXSA-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001440716402 1007967698 /nfs/dbraw/zinc/96/76/98/1007967698.db2.gz CDKNPORTCFBJAK-BFHYXJOUSA-N 1 3 312.458 0.561 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001441522876 1008389329 /nfs/dbraw/zinc/38/93/29/1008389329.db2.gz SPQUNUUDQLYNSL-MJBXVCDLSA-N 1 3 320.441 0.344 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001441598960 1008420213 /nfs/dbraw/zinc/42/02/13/1008420213.db2.gz NOQZAJNYIAUESK-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441599065 1008420293 /nfs/dbraw/zinc/42/02/93/1008420293.db2.gz SIVNBSWSQWJSFE-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(=O)NC ZINC001421493769 1008658358 /nfs/dbraw/zinc/65/83/58/1008658358.db2.gz FDCMSGWKWYTQDF-HNNXBMFYSA-N 1 3 320.437 0.592 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001421495270 1008660306 /nfs/dbraw/zinc/66/03/06/1008660306.db2.gz GUMBJTDIYSTKFU-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441935802 1008675015 /nfs/dbraw/zinc/67/50/15/1008675015.db2.gz PBYDPTRQRVZWMM-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441935802 1008675022 /nfs/dbraw/zinc/67/50/22/1008675022.db2.gz PBYDPTRQRVZWMM-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@H]2CCN(C)C2=O)CCCC1 ZINC001421535199 1008697584 /nfs/dbraw/zinc/69/75/84/1008697584.db2.gz NQIOVAZBARBNQH-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001453756452 1008702672 /nfs/dbraw/zinc/70/26/72/1008702672.db2.gz IDBDCZLKFLBDCM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001453756452 1008702686 /nfs/dbraw/zinc/70/26/86/1008702686.db2.gz IDBDCZLKFLBDCM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCCS(C)(=O)=O ZINC001442113783 1008979048 /nfs/dbraw/zinc/97/90/48/1008979048.db2.gz LXHBNPVMTXGPPP-CYBMUJFWSA-N 1 3 319.471 0.001 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001442126753 1008995494 /nfs/dbraw/zinc/99/54/94/1008995494.db2.gz BJJLNVCMHCBWCC-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1nc(CNC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC2)n[nH]1 ZINC001421795549 1009104263 /nfs/dbraw/zinc/10/42/63/1009104263.db2.gz WSYWPRGWCMHQGI-ZDUSSCGKSA-N 1 3 320.441 0.583 20 0 DCADHO Cc1nc(CNC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC2)n[nH]1 ZINC001421795549 1009104271 /nfs/dbraw/zinc/10/42/71/1009104271.db2.gz WSYWPRGWCMHQGI-ZDUSSCGKSA-N 1 3 320.441 0.583 20 0 DCADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001442252721 1009135766 /nfs/dbraw/zinc/13/57/66/1009135766.db2.gz NCEKIQXSWONINV-UHFFFAOYSA-N 1 3 322.457 0.637 20 0 DCADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NCc1nccn1C ZINC001442297254 1009166905 /nfs/dbraw/zinc/16/69/05/1009166905.db2.gz SJKRRACBTHZSRK-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NCc1nccn1C ZINC001442297254 1009166917 /nfs/dbraw/zinc/16/69/17/1009166917.db2.gz SJKRRACBTHZSRK-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421920801 1009264029 /nfs/dbraw/zinc/26/40/29/1009264029.db2.gz FKACPFLZXLWJKP-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C[C@@H]2CCc3ncnn32)CC[N@@H+]1C ZINC001442414620 1009289639 /nfs/dbraw/zinc/28/96/39/1009289639.db2.gz PZWJLUMAPMJSCL-HZSPNIEDSA-N 1 3 320.441 0.154 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C[C@@H]2CCc3ncnn32)CC[N@H+]1C ZINC001442414620 1009289647 /nfs/dbraw/zinc/28/96/47/1009289647.db2.gz PZWJLUMAPMJSCL-HZSPNIEDSA-N 1 3 320.441 0.154 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001421985570 1009363373 /nfs/dbraw/zinc/36/33/73/1009363373.db2.gz HSNWKEVMVQSDTB-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001434066141 1009516792 /nfs/dbraw/zinc/51/67/92/1009516792.db2.gz GFJGSCFQOIHPLW-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001422158446 1009578189 /nfs/dbraw/zinc/57/81/89/1009578189.db2.gz SEXNGJBZAXUYOX-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1(CO)CCN([C@H](C)COC)CC1 ZINC001422195588 1009634115 /nfs/dbraw/zinc/63/41/15/1009634115.db2.gz WUOVLHRMEXVPBV-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1(CO)CCN([C@H](C)COC)CC1 ZINC001422195588 1009634119 /nfs/dbraw/zinc/63/41/19/1009634119.db2.gz WUOVLHRMEXVPBV-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)N(C)C(=O)CC[NH+](C)C)N(C)C ZINC001442809996 1009766527 /nfs/dbraw/zinc/76/65/27/1009766527.db2.gz ZBPKSFHZGFISCO-ZFWWWQNUSA-N 1 3 314.474 0.487 20 0 DCADHO COC[C@H](CN1CCC(O)(C[NH+]2CCCCC2)CC1)OC ZINC001434510849 1010044485 /nfs/dbraw/zinc/04/44/85/1010044485.db2.gz WARWTESKDMBIIU-HNNXBMFYSA-N 1 3 300.443 0.961 20 0 DCADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001443076431 1010109954 /nfs/dbraw/zinc/10/99/54/1010109954.db2.gz GEXSEVAQZQEWDF-GFCCVEGCSA-N 1 3 300.447 0.276 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC1CC1 ZINC001443073390 1010114818 /nfs/dbraw/zinc/11/48/18/1010114818.db2.gz DGUBFIOCURIUBV-WFASDCNBSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)CN(C)C1CCC1 ZINC001422457635 1010115868 /nfs/dbraw/zinc/11/58/68/1010115868.db2.gz VBXBSHKHMWKKQT-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001443362868 1010367365 /nfs/dbraw/zinc/36/73/65/1010367365.db2.gz MTTVJSWUENBVAE-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001443362868 1010367371 /nfs/dbraw/zinc/36/73/71/1010367371.db2.gz MTTVJSWUENBVAE-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](O)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001443364590 1010369210 /nfs/dbraw/zinc/36/92/10/1010369210.db2.gz ROXKBYMPGPXFKO-HUUCEWRRSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](O)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001443364590 1010369220 /nfs/dbraw/zinc/36/92/20/1010369220.db2.gz ROXKBYMPGPXFKO-HUUCEWRRSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001422609689 1010398633 /nfs/dbraw/zinc/39/86/33/1010398633.db2.gz YKPFFVOIELOHJU-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001508901106 1017096670 /nfs/dbraw/zinc/09/66/70/1017096670.db2.gz DTRYYEGHAIHMMA-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001508901106 1017096676 /nfs/dbraw/zinc/09/66/76/1017096676.db2.gz DTRYYEGHAIHMMA-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)C[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001422955679 1010765823 /nfs/dbraw/zinc/76/58/23/1010765823.db2.gz JVSTVTOJCKAYML-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001423145279 1010922543 /nfs/dbraw/zinc/92/25/43/1010922543.db2.gz GWHDLQHJSASHJG-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001423145279 1010922548 /nfs/dbraw/zinc/92/25/48/1010922548.db2.gz GWHDLQHJSASHJG-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001444249105 1010923352 /nfs/dbraw/zinc/92/33/52/1010923352.db2.gz SBMKJIZPCZPRGA-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001444312966 1010958114 /nfs/dbraw/zinc/95/81/14/1010958114.db2.gz YFRMIZNGPKRIQO-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444727701 1011150107 /nfs/dbraw/zinc/15/01/07/1011150107.db2.gz NQKQKIBODOUJDC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444727701 1011150112 /nfs/dbraw/zinc/15/01/12/1011150112.db2.gz NQKQKIBODOUJDC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001444818440 1011179275 /nfs/dbraw/zinc/17/92/75/1011179275.db2.gz GSGLWIQYSOZHPY-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001444818440 1011179278 /nfs/dbraw/zinc/17/92/78/1011179278.db2.gz GSGLWIQYSOZHPY-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](NCC(N)=O)C(C)C)C1 ZINC001444889264 1011198838 /nfs/dbraw/zinc/19/88/38/1011198838.db2.gz IAZQLDHJYMEAAP-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](NCC(N)=O)C(C)C)C1 ZINC001444889264 1011198842 /nfs/dbraw/zinc/19/88/42/1011198842.db2.gz IAZQLDHJYMEAAP-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001456363039 1011219694 /nfs/dbraw/zinc/21/96/94/1011219694.db2.gz YCHSCQFPGXRQFU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001456363039 1011219704 /nfs/dbraw/zinc/21/97/04/1011219704.db2.gz YCHSCQFPGXRQFU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001456485230 1011303297 /nfs/dbraw/zinc/30/32/97/1011303297.db2.gz MJJIPOMVRPDAAJ-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001445101520 1011406506 /nfs/dbraw/zinc/40/65/06/1011406506.db2.gz BUWHGORIZULDEZ-UKRRQHHQSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H]([NH2+]CC(=O)NC1CC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001423947123 1011763305 /nfs/dbraw/zinc/76/33/05/1011763305.db2.gz NAQXXHTXUJSWPA-NWDGAFQWSA-N 1 3 319.409 0.057 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCC(=O)N1CCCCC1 ZINC001445475543 1011803222 /nfs/dbraw/zinc/80/32/22/1011803222.db2.gz USJGPGHGFNWZPD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC(=O)N1CCCCC1 ZINC001445475543 1011803238 /nfs/dbraw/zinc/80/32/38/1011803238.db2.gz USJGPGHGFNWZPD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001535530500 1011919412 /nfs/dbraw/zinc/91/94/12/1011919412.db2.gz NTXQCXQYCQGYEI-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)c1ccccc1 ZINC001553403949 1011940985 /nfs/dbraw/zinc/94/09/85/1011940985.db2.gz BMUAZRPSEHAZHY-QXSJWSMHSA-N 1 3 303.406 0.925 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC001553437189 1011974488 /nfs/dbraw/zinc/97/44/88/1011974488.db2.gz CXEXKGDVBXPGIQ-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553443175 1011978936 /nfs/dbraw/zinc/97/89/36/1011978936.db2.gz GGCNXNRCUJADSN-QKPAOTATSA-N 1 3 322.453 0.491 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001553444125 1011981699 /nfs/dbraw/zinc/98/16/99/1011981699.db2.gz VKKWNPITUFGJHF-INIZCTEOSA-N 1 3 310.442 0.635 20 0 DCADHO CC[C@H](NC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001445633930 1012029232 /nfs/dbraw/zinc/02/92/32/1012029232.db2.gz JOMYSCMLOHWZGK-WFASDCNBSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001424138788 1012065616 /nfs/dbraw/zinc/06/56/16/1012065616.db2.gz QESPAZXHMHDHHN-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553533702 1012087904 /nfs/dbraw/zinc/08/79/04/1012087904.db2.gz VUIKUTNBRZMNDF-XGUBFFRZSA-N 1 3 310.442 0.354 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1)[NH+](C)C ZINC001432262302 1012222098 /nfs/dbraw/zinc/22/20/98/1012222098.db2.gz DLCSOGZEQOEUNE-BBRMVZONSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001536903296 1012270043 /nfs/dbraw/zinc/27/00/43/1012270043.db2.gz LQHJHHSNKZURRV-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001458750224 1012344399 /nfs/dbraw/zinc/34/43/99/1012344399.db2.gz FAIQFDWTISPUHE-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001458940710 1012483395 /nfs/dbraw/zinc/48/33/95/1012483395.db2.gz BZZHRQJWOXSFBT-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001458940710 1012483404 /nfs/dbraw/zinc/48/34/04/1012483404.db2.gz BZZHRQJWOXSFBT-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001424473608 1012542885 /nfs/dbraw/zinc/54/28/85/1012542885.db2.gz HXOBAQCIJPBSLY-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001424491351 1012574340 /nfs/dbraw/zinc/57/43/40/1012574340.db2.gz LJSPFZQGQYVISG-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)C1 ZINC001548643339 1012869665 /nfs/dbraw/zinc/86/96/65/1012869665.db2.gz SQQQKSMUENCMTH-FZKCQIBNSA-N 1 3 309.454 0.944 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)C1 ZINC001548643339 1012869673 /nfs/dbraw/zinc/86/96/73/1012869673.db2.gz SQQQKSMUENCMTH-FZKCQIBNSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)CCC1 ZINC001479298411 1017487018 /nfs/dbraw/zinc/48/70/18/1017487018.db2.gz AAFBKZDDXCPPNC-BETUJISGSA-N 1 3 320.441 0.284 20 0 DCADHO C[C@H]([NH2+]CCCO)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001506837199 1017597574 /nfs/dbraw/zinc/59/75/74/1017597574.db2.gz SBDWTFCOGIVKHI-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CNC(=O)CN1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001506853586 1017615352 /nfs/dbraw/zinc/61/53/52/1017615352.db2.gz KHWIJRRZXGSRIJ-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1 ZINC001506902064 1017652381 /nfs/dbraw/zinc/65/23/81/1017652381.db2.gz BLTUUQALKYUQPN-JOCQHMNTSA-N 1 3 317.397 0.037 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001506906668 1017657740 /nfs/dbraw/zinc/65/77/40/1017657740.db2.gz MTRAAYACCYVRNG-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001499230616 1017765423 /nfs/dbraw/zinc/76/54/23/1017765423.db2.gz AUBJTZIJVKSMMC-YNEHKIRRSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001499230616 1017765436 /nfs/dbraw/zinc/76/54/36/1017765436.db2.gz AUBJTZIJVKSMMC-YNEHKIRRSA-N 1 3 310.442 0.219 20 0 DCADHO CN1CC[C@H](NC2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1=O ZINC001499312324 1017840058 /nfs/dbraw/zinc/84/00/58/1017840058.db2.gz USSBUJKHBDEXAV-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001497272780 1018011640 /nfs/dbraw/zinc/01/16/40/1018011640.db2.gz SNFAGYZVRFZSFZ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001499922371 1018137180 /nfs/dbraw/zinc/13/71/80/1018137180.db2.gz BHUCMRSKMIFZHU-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001494980436 1018202608 /nfs/dbraw/zinc/20/26/08/1018202608.db2.gz CYUSRTLFBLBUAU-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001494980436 1018202618 /nfs/dbraw/zinc/20/26/18/1018202618.db2.gz CYUSRTLFBLBUAU-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001480158128 1018265274 /nfs/dbraw/zinc/26/52/74/1018265274.db2.gz JALSFZGGAXIXPY-JHJVBQTASA-N 1 3 312.458 0.336 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001500229966 1018333436 /nfs/dbraw/zinc/33/34/36/1018333436.db2.gz JIUCLLUECONJAE-YPMHNXCESA-N 1 3 321.425 0.081 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001500229966 1018333450 /nfs/dbraw/zinc/33/34/50/1018333450.db2.gz JIUCLLUECONJAE-YPMHNXCESA-N 1 3 321.425 0.081 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCN(C)C1=O ZINC001495137393 1018342579 /nfs/dbraw/zinc/34/25/79/1018342579.db2.gz KKCUBLXMIFXLLR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001480233529 1018345172 /nfs/dbraw/zinc/34/51/72/1018345172.db2.gz DZCLCFNPTGZTKG-FPMFFAJLSA-N 1 3 310.442 0.232 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001500380546 1018433880 /nfs/dbraw/zinc/43/38/80/1018433880.db2.gz UORGLPKAMOXOPT-INIZCTEOSA-N 1 3 321.425 0.307 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480346595 1018453081 /nfs/dbraw/zinc/45/30/81/1018453081.db2.gz UYTIHKFZUWPUTC-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001480352236 1018459011 /nfs/dbraw/zinc/45/90/11/1018459011.db2.gz UMRKDPALTXPPKW-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001480352236 1018459017 /nfs/dbraw/zinc/45/90/17/1018459017.db2.gz UMRKDPALTXPPKW-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001495470684 1018523337 /nfs/dbraw/zinc/52/33/37/1018523337.db2.gz SLAIIKUFBMAYRB-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H]1CCNC1=O ZINC001495720781 1018668425 /nfs/dbraw/zinc/66/84/25/1018668425.db2.gz VUEPVXWBZFAGFZ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCn1ccc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001480658837 1018749908 /nfs/dbraw/zinc/74/99/08/1018749908.db2.gz JPQAOWXXFBPDGO-AWEZNQCLSA-N 1 3 307.442 0.793 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1C ZINC001480658418 1018751165 /nfs/dbraw/zinc/75/11/65/1018751165.db2.gz DRXPIKYDBXXRGE-AWEZNQCLSA-N 1 3 307.442 0.618 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCn2cccn2)C1 ZINC001480680384 1018771061 /nfs/dbraw/zinc/77/10/61/1018771061.db2.gz KXYHOTQPQZLFIX-OAHLLOKOSA-N 1 3 307.442 0.661 20 0 DCADHO Cn1cc(CN[C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)nn1 ZINC001480699062 1018787971 /nfs/dbraw/zinc/78/79/71/1018787971.db2.gz RNGYQKBYIAOZGP-ZIAGYGMSSA-N 1 3 322.457 0.674 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001501150167 1018922396 /nfs/dbraw/zinc/92/23/96/1018922396.db2.gz MSUJJVHIUMTBKN-UONOGXRCSA-N 1 3 322.457 0.341 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001498327906 1018961038 /nfs/dbraw/zinc/96/10/38/1018961038.db2.gz SLUPKVKQSUDPDQ-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001498327906 1018961047 /nfs/dbraw/zinc/96/10/47/1018961047.db2.gz SLUPKVKQSUDPDQ-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C[C@@H]1CCc2ncnn21)NC(=O)CCC[NH+](C)C ZINC001498370669 1019016983 /nfs/dbraw/zinc/01/69/83/1019016983.db2.gz YFBUYMBNVBJLCZ-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001496081793 1019041671 /nfs/dbraw/zinc/04/16/71/1019041671.db2.gz NKZWZSVCEKNLJV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001496081793 1019041677 /nfs/dbraw/zinc/04/16/77/1019041677.db2.gz NKZWZSVCEKNLJV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001496155440 1019118689 /nfs/dbraw/zinc/11/86/89/1019118689.db2.gz UNHNDNMHQQZWGZ-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1)C1CC1 ZINC001496230027 1019178962 /nfs/dbraw/zinc/17/89/62/1019178962.db2.gz PCXTVKZDGLUXTN-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001493231953 1019226423 /nfs/dbraw/zinc/22/64/23/1019226423.db2.gz YWBMFMYWYOSLGX-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO Cn1ccnc1CNCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501611433 1019326314 /nfs/dbraw/zinc/32/63/14/1019326314.db2.gz KBGUQSPPJBGWFK-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccnn1C ZINC001496602903 1019446331 /nfs/dbraw/zinc/44/63/31/1019446331.db2.gz LDHBJLQBSIBNAD-ZBFHGGJFSA-N 1 3 321.469 0.992 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001498834572 1019458463 /nfs/dbraw/zinc/45/84/63/1019458463.db2.gz WJWBVJKZNSZONJ-DOMZBBRYSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)n[nH]1 ZINC001498857483 1019477953 /nfs/dbraw/zinc/47/79/53/1019477953.db2.gz HYQMKJRNSPLTJR-CYBMUJFWSA-N 1 3 318.425 0.193 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1CC1 ZINC001498877314 1019494867 /nfs/dbraw/zinc/49/48/67/1019494867.db2.gz UNOKBUBBGRUKTJ-GXTWGEPZSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501864747 1019530392 /nfs/dbraw/zinc/53/03/92/1019530392.db2.gz LMZHPDLEDYWJOM-LPUOJRKPSA-N 1 3 322.453 0.069 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501864747 1019530411 /nfs/dbraw/zinc/53/04/11/1019530411.db2.gz LMZHPDLEDYWJOM-LPUOJRKPSA-N 1 3 322.453 0.069 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001499050033 1019681668 /nfs/dbraw/zinc/68/16/68/1019681668.db2.gz MDQOMUFTTXFQCJ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1ncccc1CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001502075212 1019686771 /nfs/dbraw/zinc/68/67/71/1019686771.db2.gz XNGRPRXTHVFJKW-INIZCTEOSA-N 1 3 320.437 0.659 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001493764160 1019693580 /nfs/dbraw/zinc/69/35/80/1019693580.db2.gz RTZWIZLUAQQGGZ-OAHLLOKOSA-N 1 3 320.437 0.674 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502136178 1019754679 /nfs/dbraw/zinc/75/46/79/1019754679.db2.gz ZNSUMDQZMZTJDJ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236827274 202027946 /nfs/dbraw/zinc/02/79/46/202027946.db2.gz VOZURQRWDIXMIT-AWEZNQCLSA-N 1 3 320.441 0.807 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)[C@H](N)Cc2ccccc2)n1 ZINC000236999125 202116545 /nfs/dbraw/zinc/11/65/45/202116545.db2.gz HFFUEJJNIWRJMQ-CQSZACIVSA-N 1 3 301.394 0.953 20 0 DCADHO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000333811903 295958974 /nfs/dbraw/zinc/95/89/74/295958974.db2.gz PRYOOMLHPPWOEO-LSDHHAIUSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1C ZINC000262252085 291133660 /nfs/dbraw/zinc/13/36/60/291133660.db2.gz LQDSPFYRHMMFEK-UONOGXRCSA-N 1 3 305.426 0.561 20 0 DCADHO CN(C)CCOc1ccc(CC[NH2+]CCC(=O)NC(N)=O)cc1 ZINC000566063079 291265932 /nfs/dbraw/zinc/26/59/32/291265932.db2.gz BIEHEVMEJJNLBE-UHFFFAOYSA-N 1 3 322.409 0.344 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566507882 291310348 /nfs/dbraw/zinc/31/03/48/291310348.db2.gz COCJYILAZUMKDX-CABCVRRESA-N 1 3 312.458 0.866 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000566776746 291322797 /nfs/dbraw/zinc/32/27/97/291322797.db2.gz FBXHLYZRWDQDAS-INIZCTEOSA-N 1 3 310.442 0.227 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000420030053 240010495 /nfs/dbraw/zinc/01/04/95/240010495.db2.gz OXPLYMXODSSPBR-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000567027025 291333653 /nfs/dbraw/zinc/33/36/53/291333653.db2.gz RTMYEBNPKAYDIF-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000567917648 291392456 /nfs/dbraw/zinc/39/24/56/291392456.db2.gz ZYSBRGGKWVIYAM-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CN1CCN(CCCNC(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000567983022 291395352 /nfs/dbraw/zinc/39/53/52/291395352.db2.gz GZQINMHKYWHZDT-QGZVFWFLSA-N 1 3 318.465 0.700 20 0 DCADHO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000568849650 291448791 /nfs/dbraw/zinc/44/87/91/291448791.db2.gz WNVQDXYFVFEQAU-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(NC[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1)[C@H]1CCC[NH2+]1 ZINC000572244070 291556394 /nfs/dbraw/zinc/55/63/94/291556394.db2.gz ASFCJDLEFBDANI-RBSFLKMASA-N 1 3 322.453 0.235 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nn(C)c2c1CCCC2 ZINC000572352405 291563020 /nfs/dbraw/zinc/56/30/20/291563020.db2.gz SAJOYGXAVJEWJY-UHFFFAOYSA-N 1 3 321.469 0.864 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000572599520 291578063 /nfs/dbraw/zinc/57/80/63/291578063.db2.gz ABISDQGVXMMIME-OLZOCXBDSA-N 1 3 300.447 0.864 20 0 DCADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000572720465 291584975 /nfs/dbraw/zinc/58/49/75/291584975.db2.gz QUTWYLVMWJPHMS-ZIAGYGMSSA-N 1 3 322.457 0.925 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCC1 ZINC000573467296 291634341 /nfs/dbraw/zinc/63/43/41/291634341.db2.gz SBSWVWYLRXTOSH-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000368029446 285010488 /nfs/dbraw/zinc/01/04/88/285010488.db2.gz OLKVYIAOKLHLHH-KRWDZBQOSA-N 1 3 324.469 0.834 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000368029446 285010491 /nfs/dbraw/zinc/01/04/91/285010491.db2.gz OLKVYIAOKLHLHH-KRWDZBQOSA-N 1 3 324.469 0.834 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000417559736 285022970 /nfs/dbraw/zinc/02/29/70/285022970.db2.gz AIMNDKHDIWVKNH-ZNMIVQPWSA-N 1 3 312.458 0.866 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000339735268 253135727 /nfs/dbraw/zinc/13/57/27/253135727.db2.gz UTJDUAHNXSIZQI-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CCNC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000339752420 253138456 /nfs/dbraw/zinc/13/84/56/253138456.db2.gz YDCMIZRTNJSMMW-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000339934396 253166702 /nfs/dbraw/zinc/16/67/02/253166702.db2.gz NREKHYIVNKLWLG-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340203488 253215972 /nfs/dbraw/zinc/21/59/72/253215972.db2.gz PLTRFKDRWMSHFB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340203488 253215974 /nfs/dbraw/zinc/21/59/74/253215974.db2.gz PLTRFKDRWMSHFB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000341286711 253363564 /nfs/dbraw/zinc/36/35/64/253363564.db2.gz PQTSWJHIYMLKLU-UKRRQHHQSA-N 1 3 312.458 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000341286711 253363568 /nfs/dbraw/zinc/36/35/68/253363568.db2.gz PQTSWJHIYMLKLU-UKRRQHHQSA-N 1 3 312.458 0.737 20 0 DCADHO CN1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000347534788 254166244 /nfs/dbraw/zinc/16/62/44/254166244.db2.gz QEVJRLLKYKHIRN-OAHLLOKOSA-N 1 3 324.469 0.834 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347984176 254209104 /nfs/dbraw/zinc/20/91/04/254209104.db2.gz VRSMSZDIPLXQBB-RRFJBIMHSA-N 1 3 324.469 0.528 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000349028377 254270202 /nfs/dbraw/zinc/27/02/02/254270202.db2.gz OLIZKRAGMRCEIM-AWEZNQCLSA-N 1 3 313.442 0.324 20 0 DCADHO [NH3+][C@H]1CCc2ncc(NC(=O)C[C@H]3CSCCN3)cc2C1 ZINC000349057368 254271574 /nfs/dbraw/zinc/27/15/74/254271574.db2.gz NIICSSCAWOQXPD-AAEUAGOBSA-N 1 3 306.435 0.931 20 0 DCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000350947413 254330907 /nfs/dbraw/zinc/33/09/07/254330907.db2.gz FZSLVPUCOXUSDY-OAHLLOKOSA-N 1 3 310.486 0.813 20 0 DCADHO CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349860133 254300990 /nfs/dbraw/zinc/30/09/90/254300990.db2.gz ZUWBUJONRFQPTI-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000351803143 254370577 /nfs/dbraw/zinc/37/05/77/254370577.db2.gz DRNGZTBEPQPJQF-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000351803143 254370578 /nfs/dbraw/zinc/37/05/78/254370578.db2.gz DRNGZTBEPQPJQF-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CN(CCCN(C)CC(=O)NCc1cccnc1)CC[NH+](C)C ZINC000289474937 221001081 /nfs/dbraw/zinc/00/10/81/221001081.db2.gz RHNHVQIEWDWNCN-UHFFFAOYSA-N 1 3 321.469 0.513 20 0 DCADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CNCCO1 ZINC000418761230 262287627 /nfs/dbraw/zinc/28/76/27/262287627.db2.gz HQPSNSODKZFORW-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000340214130 131204568 /nfs/dbraw/zinc/20/45/68/131204568.db2.gz GPWFITMTSWILDQ-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000340214130 131204569 /nfs/dbraw/zinc/20/45/69/131204569.db2.gz GPWFITMTSWILDQ-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NC(=O)NCC1(O)CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000085423728 395700629 /nfs/dbraw/zinc/70/06/29/395700629.db2.gz CCQSOTPVJFZPQN-ZDUSSCGKSA-N 1 3 314.474 0.719 20 0 DCADHO CC[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000130369871 395922437 /nfs/dbraw/zinc/92/24/37/395922437.db2.gz POUIGWNNEOUGDN-CYBMUJFWSA-N 1 3 309.410 0.989 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@]2(CC)CC[NH2+]C2)CC1 ZINC000119753654 395875000 /nfs/dbraw/zinc/87/50/00/395875000.db2.gz VARNFXLNXQGZGW-QGZVFWFLSA-N 1 3 310.486 0.910 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261842710 396071837 /nfs/dbraw/zinc/07/18/37/396071837.db2.gz OBARAXKPLQSSLS-HZPDHXFCSA-N 1 3 310.486 0.766 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2nccn2c1 ZINC000068423612 396055069 /nfs/dbraw/zinc/05/50/69/396055069.db2.gz UMYAHEZNAPJTOT-UHFFFAOYSA-N 1 3 303.410 0.900 20 0 DCADHO CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152433425 396008884 /nfs/dbraw/zinc/00/88/84/396008884.db2.gz OCJZRRZAPMDGHO-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152433425 396008886 /nfs/dbraw/zinc/00/88/86/396008886.db2.gz OCJZRRZAPMDGHO-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000152433425 396008888 /nfs/dbraw/zinc/00/88/88/396008888.db2.gz OCJZRRZAPMDGHO-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152433425 396008891 /nfs/dbraw/zinc/00/88/91/396008891.db2.gz OCJZRRZAPMDGHO-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CCC([NH3+])CC1)c1ccccc1 ZINC000262066718 396095192 /nfs/dbraw/zinc/09/51/92/396095192.db2.gz FOYTXSUDSXOAGO-INIZCTEOSA-N 1 3 304.438 0.829 20 0 DCADHO COCCN(C)CCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000171192784 396109996 /nfs/dbraw/zinc/10/99/96/396109996.db2.gz NWDYKLPRPGWSJG-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCN(C)CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000171192764 396110145 /nfs/dbraw/zinc/11/01/45/396110145.db2.gz AWTXJVATUIPLQB-UHFFFAOYSA-N 1 3 300.447 0.740 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000171202709 396110989 /nfs/dbraw/zinc/11/09/89/396110989.db2.gz ZGTASEKODPAYSL-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN(C)CCOC)C1 ZINC000171201015 396111126 /nfs/dbraw/zinc/11/11/26/396111126.db2.gz UJTSDCRDVWSRDJ-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCN(C)CCOC)C1 ZINC000171201015 396111130 /nfs/dbraw/zinc/11/11/30/396111130.db2.gz UJTSDCRDVWSRDJ-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)[C@]1(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCSC1 ZINC000278942613 396142543 /nfs/dbraw/zinc/14/25/43/396142543.db2.gz GIUPGSXFSLKEGJ-ABAIWWIYSA-N 1 3 323.466 0.654 20 0 DCADHO C[NH2+]CCC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000262435636 396139922 /nfs/dbraw/zinc/13/99/22/396139922.db2.gz UHMSCTMFAABAMA-AWEZNQCLSA-N 1 3 318.421 0.932 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261875519 396074741 /nfs/dbraw/zinc/07/47/41/396074741.db2.gz UBMWUIFSTWJUIM-ZBFHGGJFSA-N 1 3 321.421 0.750 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261968117 396085113 /nfs/dbraw/zinc/08/51/13/396085113.db2.gz PPUGBDACJIMNDH-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074176674 396160290 /nfs/dbraw/zinc/16/02/90/396160290.db2.gz NFCFKZAMOSXHGE-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000262651435 396168375 /nfs/dbraw/zinc/16/83/75/396168375.db2.gz AGQLQGCCYHSNHR-UHFFFAOYSA-N 1 3 304.394 0.086 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000262763675 396180370 /nfs/dbraw/zinc/18/03/70/396180370.db2.gz RHBQDFDOXDTYDT-IHRRRGAJSA-N 1 3 310.442 0.125 20 0 DCADHO [NH3+]CCN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000262958600 396194950 /nfs/dbraw/zinc/19/49/50/396194950.db2.gz KKAJRHBGEWMXNH-MRXNPFEDSA-N 1 3 303.454 0.874 20 0 DCADHO CN(C)CCOc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)ccn1 ZINC000183246284 396265651 /nfs/dbraw/zinc/26/56/51/396265651.db2.gz OLYFPVIBNRZNRY-INIZCTEOSA-N 1 3 324.425 0.064 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077807965 396234004 /nfs/dbraw/zinc/23/40/04/396234004.db2.gz FMLFNVILYFUZBZ-CYBMUJFWSA-N 1 3 300.447 0.473 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077807965 396234007 /nfs/dbraw/zinc/23/40/07/396234007.db2.gz FMLFNVILYFUZBZ-CYBMUJFWSA-N 1 3 300.447 0.473 20 0 DCADHO CC[NH+](CC)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185037790 396315349 /nfs/dbraw/zinc/31/53/49/396315349.db2.gz BSBOLINOIRLRNW-HNNXBMFYSA-N 1 3 313.490 0.653 20 0 DCADHO COCCN1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000185642351 396332023 /nfs/dbraw/zinc/33/20/23/396332023.db2.gz MHIULOHKFRNJEX-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C(=O)/C=C/CN(C)C ZINC000265707415 396338403 /nfs/dbraw/zinc/33/84/03/396338403.db2.gz TWTIJNZJCBYTBQ-NKYSGAOISA-N 1 3 310.442 0.185 20 0 DCADHO C[C@@H](CNC(=O)/C=C/CN(C)C)N(C)C(=O)/C=C/C[NH+](C)C ZINC000265707415 396338405 /nfs/dbraw/zinc/33/84/05/396338405.db2.gz TWTIJNZJCBYTBQ-NKYSGAOISA-N 1 3 310.442 0.185 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000269244928 396399493 /nfs/dbraw/zinc/39/94/93/396399493.db2.gz DCDLHROJRQVTEU-INIZCTEOSA-N 1 3 304.438 0.483 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000288134158 396444241 /nfs/dbraw/zinc/44/42/41/396444241.db2.gz KZCCDEFDWPEQCO-ZDUSSCGKSA-N 1 3 320.437 0.796 20 0 DCADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000580997269 396516858 /nfs/dbraw/zinc/51/68/58/396516858.db2.gz ZGZPPHDETIKXHJ-AWEZNQCLSA-N 1 3 300.447 0.546 20 0 DCADHO N[C@H]1C[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCN2C1=O ZINC000594738094 396503505 /nfs/dbraw/zinc/50/35/05/396503505.db2.gz GVQLIMRVOZRZFO-CVEARBPZSA-N 1 3 300.406 0.076 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(O)C3)CC2)CC1 ZINC000581140228 396529272 /nfs/dbraw/zinc/52/92/72/396529272.db2.gz KQWUGZLBRIOMSX-UHFFFAOYSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581606145 396568281 /nfs/dbraw/zinc/56/82/81/396568281.db2.gz UJILRYSBBWJEDV-CVEARBPZSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CC[C@@H](N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000373257741 396579654 /nfs/dbraw/zinc/57/96/54/396579654.db2.gz VVECNXTTWPEYOM-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)Nc2cccc3c2CCNC3)nn1 ZINC000581883222 396589571 /nfs/dbraw/zinc/58/95/71/396589571.db2.gz RSJRIGVZRMEGGK-UHFFFAOYSA-N 1 3 314.393 0.915 20 0 DCADHO [NH3+]C[C@H]1CN(CCC(=O)N2CCNCC2)CC[C@@H]1C(F)(F)F ZINC000629559272 396786389 /nfs/dbraw/zinc/78/63/89/396786389.db2.gz APSGUHNTHHHXMI-RYUDHWBXSA-N 1 3 322.375 0.267 20 0 DCADHO [NH3+]C[C@H]1CN(CCC(=O)N2CCNCC2)CC[C@H]1C(F)(F)F ZINC000629559270 396786544 /nfs/dbraw/zinc/78/65/44/396786544.db2.gz APSGUHNTHHHXMI-NWDGAFQWSA-N 1 3 322.375 0.267 20 0 DCADHO O[C@@H](C[NH2+]Cc1cccc(-n2cncn2)c1)CN1CCCC1 ZINC000629562711 396787545 /nfs/dbraw/zinc/78/75/45/396787545.db2.gz CVCCSFQPMHUTFT-INIZCTEOSA-N 1 3 301.394 0.814 20 0 DCADHO [NH3+]C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CC[C@H]1C(F)(F)F ZINC000629561693 396788160 /nfs/dbraw/zinc/78/81/60/396788160.db2.gz JBADCGZMIBILNK-IJLUTSLNSA-N 1 3 307.360 0.967 20 0 DCADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000563423706 396731590 /nfs/dbraw/zinc/73/15/90/396731590.db2.gz ICNOZJVRXBPIAI-YNEHKIRRSA-N 1 3 301.456 0.803 20 0 DCADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)COC)CC1 ZINC000304968152 396733790 /nfs/dbraw/zinc/73/37/90/396733790.db2.gz RKYJZADGXQYFQJ-MRXNPFEDSA-N 1 3 307.438 0.925 20 0 DCADHO C[C@H](Cn1cc(Br)cn1)NC[C@@H](O)C[NH+](C)C ZINC000305131525 396737987 /nfs/dbraw/zinc/73/79/87/396737987.db2.gz NEFJUIWFTCIPIH-MWLCHTKSSA-N 1 3 305.220 0.546 20 0 DCADHO CCn1nc(C)c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000307971209 396757331 /nfs/dbraw/zinc/75/73/31/396757331.db2.gz HUXURCFNDKCCFC-CQSZACIVSA-N 1 3 307.442 0.807 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000629789401 396834330 /nfs/dbraw/zinc/83/43/30/396834330.db2.gz SRYQQAIVIWAIAP-UHFFFAOYSA-N 1 3 310.442 0.271 20 0 DCADHO C[N@@H+]1CCN(CCNC(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000563972050 396801717 /nfs/dbraw/zinc/80/17/17/396801717.db2.gz JRLCWVVVDQGAEP-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO C[N@H+]1CCN(CCNC(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000563972050 396801725 /nfs/dbraw/zinc/80/17/25/396801725.db2.gz JRLCWVVVDQGAEP-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CC[NH2+]CCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000564188447 396813716 /nfs/dbraw/zinc/81/37/16/396813716.db2.gz PVVLNRDMLJAMJI-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000564868924 396885593 /nfs/dbraw/zinc/88/55/93/396885593.db2.gz KVRSVQHNABUAEV-FPCVCCKLSA-N 1 3 301.475 0.775 20 0 DCADHO CCOC(=O)CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000591272174 396892760 /nfs/dbraw/zinc/89/27/60/396892760.db2.gz NGPAYIVIHWEMEL-ZDUSSCGKSA-N 1 3 311.426 0.601 20 0 DCADHO CCOC(=O)CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000591272174 396892769 /nfs/dbraw/zinc/89/27/69/396892769.db2.gz NGPAYIVIHWEMEL-ZDUSSCGKSA-N 1 3 311.426 0.601 20 0 DCADHO CN(CC(=O)NCCCNC(=O)CN(C)C1CCC1)C1CCC1 ZINC000629991851 396906135 /nfs/dbraw/zinc/90/61/35/396906135.db2.gz IUYSELPJGBBGEL-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)NCCCNC(=O)C[N@H+](C)C1CCC1)C1CCC1 ZINC000629991851 396906139 /nfs/dbraw/zinc/90/61/39/396906139.db2.gz IUYSELPJGBBGEL-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)NCCCNC(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000629991851 396906141 /nfs/dbraw/zinc/90/61/41/396906141.db2.gz IUYSELPJGBBGEL-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1=O ZINC000634761278 396908829 /nfs/dbraw/zinc/90/88/29/396908829.db2.gz XHZYJQKONOTSNL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000564953034 396909583 /nfs/dbraw/zinc/90/95/83/396909583.db2.gz DTMOTNCKDTUKRX-OBCWZRDOSA-N 1 3 307.369 0.456 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000333472929 396926233 /nfs/dbraw/zinc/92/62/33/396926233.db2.gz DOPDCPLTAYPNIX-CWRNSKLLSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000333472929 396926235 /nfs/dbraw/zinc/92/62/35/396926235.db2.gz DOPDCPLTAYPNIX-CWRNSKLLSA-N 1 3 322.453 0.633 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000569977391 396932504 /nfs/dbraw/zinc/93/25/04/396932504.db2.gz MDRXTYPTVPOGHJ-STQMWFEESA-N 1 3 306.414 0.102 20 0 DCADHO C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333939766 396936000 /nfs/dbraw/zinc/93/60/00/396936000.db2.gz NLOYPIYDCWXFPZ-ZIAGYGMSSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000333939766 396936002 /nfs/dbraw/zinc/93/60/02/396936002.db2.gz NLOYPIYDCWXFPZ-ZIAGYGMSSA-N 1 3 310.442 0.491 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000611942760 396953360 /nfs/dbraw/zinc/95/33/60/396953360.db2.gz ZWYPQTBFIKPXQC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000611942760 396953367 /nfs/dbraw/zinc/95/33/67/396953367.db2.gz ZWYPQTBFIKPXQC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@@H](C)[NH3+] ZINC000571881199 396995949 /nfs/dbraw/zinc/99/59/49/396995949.db2.gz WDMCVPGRABVOAJ-BNOWGMLFSA-N 1 3 308.430 0.520 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CN1C1CC1 ZINC000346085535 397018710 /nfs/dbraw/zinc/01/87/10/397018710.db2.gz LWTZWMCDIXAHNC-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000571695145 396979473 /nfs/dbraw/zinc/97/94/73/396979473.db2.gz ZZZGBXSMSMXKBX-DZGCQCFKSA-N 1 3 324.469 0.372 20 0 DCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC2C[NH2+]C2)C1 ZINC000572304322 397045545 /nfs/dbraw/zinc/04/55/45/397045545.db2.gz MIQHGIBQMXZSSL-INIZCTEOSA-N 1 3 302.422 0.917 20 0 DCADHO CN1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000572347480 397049608 /nfs/dbraw/zinc/04/96/08/397049608.db2.gz YGKHVVGJDBZKGX-KBPBESRZSA-N 1 3 311.474 0.391 20 0 DCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000351537082 397128156 /nfs/dbraw/zinc/12/81/56/397128156.db2.gz HZVWAQNPAJIANQ-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351865052 397131157 /nfs/dbraw/zinc/13/11/57/397131157.db2.gz LSFMPXFONJZUKM-IUCAKERBSA-N 1 3 310.320 0.434 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC000573322021 397156684 /nfs/dbraw/zinc/15/66/84/397156684.db2.gz HISWBTUQTXNGGO-OAHLLOKOSA-N 1 3 308.470 0.742 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCC(N)=O)CC2)CC1 ZINC000573337367 397159627 /nfs/dbraw/zinc/15/96/27/397159627.db2.gz NSTVFPNQCRXVTE-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612981393 397170885 /nfs/dbraw/zinc/17/08/85/397170885.db2.gz BVSNEQHMNVOYMV-CABCVRRESA-N 1 3 323.485 0.454 20 0 DCADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493018 397192589 /nfs/dbraw/zinc/19/25/89/397192589.db2.gz LYQYKLQRBVEEBE-MJBXVCDLSA-N 1 3 310.442 0.932 20 0 DCADHO CN(C)[C@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)C[C@@H]1O ZINC000574239793 397248547 /nfs/dbraw/zinc/24/85/47/397248547.db2.gz CVVJRHWLCOQDDR-GJZGRUSLSA-N 1 3 321.421 0.374 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)[C@@H]2C1 ZINC000592564905 397217338 /nfs/dbraw/zinc/21/73/38/397217338.db2.gz SUAZJLBRGUMYBC-VNHYZAJKSA-N 1 3 317.437 0.885 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000601970073 397276859 /nfs/dbraw/zinc/27/68/59/397276859.db2.gz XAMLEOVVRPYAKE-UKRRQHHQSA-N 1 3 318.421 0.929 20 0 DCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCCC(=O)NC(N)=O ZINC000601970073 397276863 /nfs/dbraw/zinc/27/68/63/397276863.db2.gz XAMLEOVVRPYAKE-UKRRQHHQSA-N 1 3 318.421 0.929 20 0 DCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCCC(=O)NC(N)=O ZINC000601970073 397276867 /nfs/dbraw/zinc/27/68/67/397276867.db2.gz XAMLEOVVRPYAKE-UKRRQHHQSA-N 1 3 318.421 0.929 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602007030 397283887 /nfs/dbraw/zinc/28/38/87/397283887.db2.gz UYTKCMPGFVAUTM-UHFFFAOYSA-N 1 3 322.453 0.929 20 0 DCADHO COC[C@]1(C(=O)NCCN(C)Cc2ccccc2)CC[NH2+]C1 ZINC000386782923 397289939 /nfs/dbraw/zinc/28/99/39/397289939.db2.gz MQEVFIAPSQHCIA-KRWDZBQOSA-N 1 3 305.422 0.861 20 0 DCADHO CC[NH+]1CCC(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000574979806 397310388 /nfs/dbraw/zinc/31/03/88/397310388.db2.gz AATWOBMUQUSVRP-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2)CC1 ZINC000602277185 397360688 /nfs/dbraw/zinc/36/06/88/397360688.db2.gz BPKXCIVDUVIQBW-HUUCEWRRSA-N 1 3 318.469 0.683 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410911542 397363729 /nfs/dbraw/zinc/36/37/29/397363729.db2.gz DFCBGJKLXLEPEN-QGZVFWFLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410911542 397363733 /nfs/dbraw/zinc/36/37/33/397363733.db2.gz DFCBGJKLXLEPEN-QGZVFWFLSA-N 1 3 322.453 0.093 20 0 DCADHO COCCOC[C@@H]1CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000578070840 397386503 /nfs/dbraw/zinc/38/65/03/397386503.db2.gz MUEMEHJVVWMRHX-SQNIBIBYSA-N 1 3 322.449 0.902 20 0 DCADHO COCCOC[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000578070840 397386504 /nfs/dbraw/zinc/38/65/04/397386504.db2.gz MUEMEHJVVWMRHX-SQNIBIBYSA-N 1 3 322.449 0.902 20 0 DCADHO COCCOC[C@@H]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000578070840 397386507 /nfs/dbraw/zinc/38/65/07/397386507.db2.gz MUEMEHJVVWMRHX-SQNIBIBYSA-N 1 3 322.449 0.902 20 0 DCADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(N)=O ZINC000578025231 397380801 /nfs/dbraw/zinc/38/08/01/397380801.db2.gz PESAEOGRHUOGNH-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419782139 397382714 /nfs/dbraw/zinc/38/27/14/397382714.db2.gz UDCNUYJYXKLSPQ-CQSZACIVSA-N 1 3 324.469 0.420 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419782114 397383197 /nfs/dbraw/zinc/38/31/97/397383197.db2.gz TWKHQMQKBWRXBQ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471641645 397450387 /nfs/dbraw/zinc/45/03/87/397450387.db2.gz GAZHSDNGXGUKPW-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471641645 397450389 /nfs/dbraw/zinc/45/03/89/397450389.db2.gz GAZHSDNGXGUKPW-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000578308088 397417786 /nfs/dbraw/zinc/41/77/86/397417786.db2.gz CPFABJAKVGXWSV-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC[C@H](C)[NH3+])CC1=O ZINC000621704559 397419567 /nfs/dbraw/zinc/41/95/67/397419567.db2.gz ZVJFBYHYJCHMEU-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000487475369 397473635 /nfs/dbraw/zinc/47/36/35/397473635.db2.gz OVODMSZADOOOTR-SQWLQELKSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000487475369 397473641 /nfs/dbraw/zinc/47/36/41/397473641.db2.gz OVODMSZADOOOTR-SQWLQELKSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000579098840 397521439 /nfs/dbraw/zinc/52/14/39/397521439.db2.gz ZHTBPNFGHANNBR-HNNXBMFYSA-N 1 3 313.490 0.700 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000371051436 397539069 /nfs/dbraw/zinc/53/90/69/397539069.db2.gz DTAKDTXVLDHSGV-QGZVFWFLSA-N 1 3 322.497 0.958 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000051759052 158014650 /nfs/dbraw/zinc/01/46/50/158014650.db2.gz UJZTVYVMKQTQCG-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000262700362 158834520 /nfs/dbraw/zinc/83/45/20/158834520.db2.gz HUCYYKVWXLTJAI-MRXNPFEDSA-N 1 3 312.458 0.517 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000359275683 159260148 /nfs/dbraw/zinc/26/01/48/159260148.db2.gz FVLSSRMIQCISMY-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000359294771 159263703 /nfs/dbraw/zinc/26/37/03/159263703.db2.gz VOROKFBNBHBNCD-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000359294771 159263705 /nfs/dbraw/zinc/26/37/05/159263705.db2.gz VOROKFBNBHBNCD-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ncccc1F ZINC000132347491 287005143 /nfs/dbraw/zinc/00/51/43/287005143.db2.gz VIFKMPJXKPZBPP-UHFFFAOYSA-N 1 3 311.405 0.856 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415758467 287237149 /nfs/dbraw/zinc/23/71/49/287237149.db2.gz PESLJBNSBCGBRP-OAHLLOKOSA-N 1 3 308.430 0.956 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418171216 287239796 /nfs/dbraw/zinc/23/97/96/287239796.db2.gz NRLAAZDAKYOOTH-CQSZACIVSA-N 1 3 313.490 0.829 20 0 DCADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(CC[NH3+])CCO)N(C)C ZINC000418179739 287241025 /nfs/dbraw/zinc/24/10/25/287241025.db2.gz JTLQRKZGBWSCCH-GDBMZVCRSA-N 1 3 322.453 0.949 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418378140 287246441 /nfs/dbraw/zinc/24/64/41/287246441.db2.gz HTDOSZONAJVRLW-KGLIPLIRSA-N 1 3 300.447 0.722 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418635684 287251830 /nfs/dbraw/zinc/25/18/30/287251830.db2.gz HESVSMFNIKFZLK-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419021293 287261467 /nfs/dbraw/zinc/26/14/67/287261467.db2.gz GSLZKBKHMHNEKA-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000419047875 287263870 /nfs/dbraw/zinc/26/38/70/287263870.db2.gz UEOBZALUHPTODM-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419179325 287270737 /nfs/dbraw/zinc/27/07/37/287270737.db2.gz HYTRIIACNOCHMD-UKRRQHHQSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419179325 287270739 /nfs/dbraw/zinc/27/07/39/287270739.db2.gz HYTRIIACNOCHMD-UKRRQHHQSA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420310412 287289213 /nfs/dbraw/zinc/28/92/13/287289213.db2.gz UXJBIOCQIJTSPK-JYJNAYRXSA-N 1 3 305.422 0.375 20 0 DCADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420310412 287289215 /nfs/dbraw/zinc/28/92/15/287289215.db2.gz UXJBIOCQIJTSPK-JYJNAYRXSA-N 1 3 305.422 0.375 20 0 DCADHO CNC(=O)[C@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420310412 287289218 /nfs/dbraw/zinc/28/92/18/287289218.db2.gz UXJBIOCQIJTSPK-JYJNAYRXSA-N 1 3 305.422 0.375 20 0 DCADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000342408992 415164765 /nfs/dbraw/zinc/16/47/65/415164765.db2.gz OAVVNUCIYQLDRK-BZUAXINKSA-N 1 3 306.454 0.462 20 0 DCADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000422884803 287301240 /nfs/dbraw/zinc/30/12/40/287301240.db2.gz XNCYVNDWWJFTOD-PMPSAXMXSA-N 1 3 310.486 0.907 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN(C)C2CC2)CC1 ZINC000352730658 415296324 /nfs/dbraw/zinc/29/63/24/415296324.db2.gz JMIQMNHVUCSGER-HNNXBMFYSA-N 1 3 312.458 0.473 20 0 DCADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000332283690 415330783 /nfs/dbraw/zinc/33/07/83/415330783.db2.gz LSBGVRPTQVMHOL-JKSUJKDBSA-N 1 3 324.469 0.868 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)CN1CCN(C)CC1 ZINC000343246669 415518000 /nfs/dbraw/zinc/51/80/00/415518000.db2.gz DYFNGGDTJAGXBO-TVFCKZIOSA-N 1 3 324.513 0.617 20 0 DCADHO NC(C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000353427995 415537867 /nfs/dbraw/zinc/53/78/67/415537867.db2.gz MIFFTJHSWCZZMC-GFCCVEGCSA-N 1 3 323.359 0.979 20 0 DCADHO C[C@H](CNC(=O)C1(C(=O)NC[C@@H](C)[NH+](C)C)CCC1)N(C)C ZINC000353488248 415566750 /nfs/dbraw/zinc/56/67/50/415566750.db2.gz CTFPOOFDGGJQRN-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)CCSC)CC1 ZINC000353631700 415608691 /nfs/dbraw/zinc/60/86/91/415608691.db2.gz FWFUGNZZPOBJSC-ZDUSSCGKSA-N 1 3 303.472 0.684 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000343474898 415610364 /nfs/dbraw/zinc/61/03/64/415610364.db2.gz MLIDFXUQGWEYJA-AWEZNQCLSA-N 1 3 307.394 0.297 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000333439193 415650835 /nfs/dbraw/zinc/65/08/35/415650835.db2.gz VVDUYFLLBPFGOD-ZBFHGGJFSA-N 1 3 324.469 0.879 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000333393026 415635831 /nfs/dbraw/zinc/63/58/31/415635831.db2.gz PAJUGVOQEVNAPU-TZMCWYRMSA-N 1 3 300.472 0.723 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H]1C ZINC000333429398 415646877 /nfs/dbraw/zinc/64/68/77/415646877.db2.gz UJOGCFAEPVLIOQ-WMHQRMGPSA-N 1 3 324.469 0.756 20 0 DCADHO CC[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000333252183 415594890 /nfs/dbraw/zinc/59/48/90/415594890.db2.gz GZKFZOJQWLCXQL-RDBSUJKOSA-N 1 3 303.472 0.778 20 0 DCADHO CC[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000333252180 415595341 /nfs/dbraw/zinc/59/53/41/415595341.db2.gz GZKFZOJQWLCXQL-HZSPNIEDSA-N 1 3 303.472 0.778 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000343672087 415678862 /nfs/dbraw/zinc/67/88/62/415678862.db2.gz GMLIAFDRZUQUBR-OAHLLOKOSA-N 1 3 310.486 0.718 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000354020031 415719755 /nfs/dbraw/zinc/71/97/55/415719755.db2.gz NDYPIPRFDXPOGF-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CN1CCOCC1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343725648 415698004 /nfs/dbraw/zinc/69/80/04/415698004.db2.gz FCHRVEWKRUQMDZ-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H](CN1CCOCC1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343725648 415698013 /nfs/dbraw/zinc/69/80/13/415698013.db2.gz FCHRVEWKRUQMDZ-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H](CN1CCOCC1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343725648 415698019 /nfs/dbraw/zinc/69/80/19/415698019.db2.gz FCHRVEWKRUQMDZ-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000343736114 415702876 /nfs/dbraw/zinc/70/28/76/415702876.db2.gz RIRKKTKRHPOULF-QGZVFWFLSA-N 1 3 320.481 0.853 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000343736114 415702883 /nfs/dbraw/zinc/70/28/83/415702883.db2.gz RIRKKTKRHPOULF-QGZVFWFLSA-N 1 3 320.481 0.853 20 0 DCADHO COCC1(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC[NH2+]CC1 ZINC000333832314 415745592 /nfs/dbraw/zinc/74/55/92/415745592.db2.gz MSMFYMGCIIQXJL-CABCVRRESA-N 1 3 324.469 0.738 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C1 ZINC000333923714 415765279 /nfs/dbraw/zinc/76/52/79/415765279.db2.gz SMXWSXBMATXZBG-OTJKEOIZSA-N 1 3 324.469 0.735 20 0 DCADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)N1CCN(C)CC1 ZINC000333919205 415766112 /nfs/dbraw/zinc/76/61/12/415766112.db2.gz OXCDAVKWZJOUQE-CABCVRRESA-N 1 3 311.474 0.310 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000333857799 415752946 /nfs/dbraw/zinc/75/29/46/415752946.db2.gz RHYXDSLJXJGQKZ-SWLSCSKDSA-N 1 3 310.442 0.618 20 0 DCADHO CC(C)N1CC[C@@H](N(C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000120249335 415759170 /nfs/dbraw/zinc/75/91/70/415759170.db2.gz ARTCNBRQFSLLFZ-MRXNPFEDSA-N 1 3 310.486 0.954 20 0 DCADHO CCN1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@@H](C)C1 ZINC000344353642 415897814 /nfs/dbraw/zinc/89/78/14/415897814.db2.gz SPBSFBVMQJDLJN-IRXDYDNUSA-N 1 3 312.502 0.306 20 0 DCADHO C[C@@H]1CN(CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337307677 415941857 /nfs/dbraw/zinc/94/18/57/415941857.db2.gz WVRROCXUAIDMIA-KSZLIROESA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337307677 415941861 /nfs/dbraw/zinc/94/18/61/415941861.db2.gz WVRROCXUAIDMIA-KSZLIROESA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337307677 415941864 /nfs/dbraw/zinc/94/18/64/415941864.db2.gz WVRROCXUAIDMIA-KSZLIROESA-N 1 3 324.513 0.665 20 0 DCADHO CN(C)CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000133404047 415945489 /nfs/dbraw/zinc/94/54/89/415945489.db2.gz GRTRCLWBDZZJGX-UHFFFAOYSA-N 1 3 308.426 0.988 20 0 DCADHO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000344650826 415966478 /nfs/dbraw/zinc/96/64/78/415966478.db2.gz YKJKDDBTOPVTNN-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000344650826 415966481 /nfs/dbraw/zinc/96/64/81/415966481.db2.gz YKJKDDBTOPVTNN-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N(C)C ZINC000345093661 416043047 /nfs/dbraw/zinc/04/30/47/416043047.db2.gz UQHIKSDPPVFSHV-BZUAXINKSA-N 1 3 310.486 0.811 20 0 DCADHO C[C@H]1[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCN1C ZINC000345239186 416065221 /nfs/dbraw/zinc/06/52/21/416065221.db2.gz NFMCNLSJWUIOJX-STQMWFEESA-N 1 3 308.430 1.049 20 0 DCADHO CC[C@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000357389626 416071814 /nfs/dbraw/zinc/07/18/14/416071814.db2.gz LCUVWPZECMVUMA-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)C[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338023495 416035000 /nfs/dbraw/zinc/03/50/00/416035000.db2.gz IBJOAHXCOONXJU-WDEREUQCSA-N 1 3 310.364 0.312 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ccnn1 ZINC000338387119 416090621 /nfs/dbraw/zinc/09/06/21/416090621.db2.gz PCCUSRKZSVSXPI-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ccnn1 ZINC000338387119 416090630 /nfs/dbraw/zinc/09/06/30/416090630.db2.gz PCCUSRKZSVSXPI-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357703823 416118720 /nfs/dbraw/zinc/11/87/20/416118720.db2.gz DBEJSDFEJDBPFL-CABCVRRESA-N 1 3 323.462 0.978 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000345782162 416150298 /nfs/dbraw/zinc/15/02/98/416150298.db2.gz IVWRBCMUOZHIBQ-UHFFFAOYSA-N 1 3 322.453 0.095 20 0 DCADHO CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CCN(CCn2cccn2)CC1 ZINC000178886246 416176692 /nfs/dbraw/zinc/17/66/92/416176692.db2.gz ASAWOGVKQBKBMH-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340479574 416188188 /nfs/dbraw/zinc/18/81/88/416188188.db2.gz RSWNSFWLCBNZDO-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340479574 416188190 /nfs/dbraw/zinc/18/81/90/416188190.db2.gz RSWNSFWLCBNZDO-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000358135022 416200075 /nfs/dbraw/zinc/20/00/75/416200075.db2.gz RKMWJXRHAOQCGC-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000358135022 416200077 /nfs/dbraw/zinc/20/00/77/416200077.db2.gz RKMWJXRHAOQCGC-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)[C@H](C)C1 ZINC000358227360 416215115 /nfs/dbraw/zinc/21/51/15/416215115.db2.gz DWDPWLJVGMXRDU-IKGGRYGDSA-N 1 3 313.486 0.780 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)C ZINC000348760539 416245902 /nfs/dbraw/zinc/24/59/02/416245902.db2.gz GPJNYZHCPXBVDY-AWEZNQCLSA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(C)C ZINC000348760539 416245905 /nfs/dbraw/zinc/24/59/05/416245905.db2.gz GPJNYZHCPXBVDY-AWEZNQCLSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000341947448 416255477 /nfs/dbraw/zinc/25/54/77/416255477.db2.gz NFPBIAHSPKIKOP-BBRMVZONSA-N 1 3 324.469 0.473 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000341979761 416262636 /nfs/dbraw/zinc/26/26/36/416262636.db2.gz GGRXGVAPQDDUIL-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000341979761 416262638 /nfs/dbraw/zinc/26/26/38/416262638.db2.gz GGRXGVAPQDDUIL-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341995925 416264212 /nfs/dbraw/zinc/26/42/12/416264212.db2.gz DAEKANNSTRLMPX-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341995925 416264215 /nfs/dbraw/zinc/26/42/15/416264215.db2.gz DAEKANNSTRLMPX-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000359252183 416315674 /nfs/dbraw/zinc/31/56/74/416315674.db2.gz OADSMSWKCSDQSU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000359252183 416315678 /nfs/dbraw/zinc/31/56/78/416315678.db2.gz OADSMSWKCSDQSU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)NC(=O)[C@H](CC)N(C)C ZINC000359248603 416316217 /nfs/dbraw/zinc/31/62/17/416316217.db2.gz HFGXNXQERWZJKT-MCIONIFRSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)NC(=O)[C@H](CC)[NH+](C)C ZINC000359248603 416316218 /nfs/dbraw/zinc/31/62/18/416316218.db2.gz HFGXNXQERWZJKT-MCIONIFRSA-N 1 3 314.474 0.678 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358853760 416285357 /nfs/dbraw/zinc/28/53/57/416285357.db2.gz FNVAJYDZNDIVQA-INIZCTEOSA-N 1 3 322.428 0.622 20 0 DCADHO CN(C)CCOCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415956728 416358186 /nfs/dbraw/zinc/35/81/86/416358186.db2.gz IXKHALWUFYACIV-CYBMUJFWSA-N 1 3 321.425 0.597 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)C[NH3+])o1 ZINC000419954023 416415632 /nfs/dbraw/zinc/41/56/32/416415632.db2.gz LNBKPPFBIUCPBH-GFCCVEGCSA-N 1 3 324.425 0.189 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+])o1 ZINC000419954026 416415935 /nfs/dbraw/zinc/41/59/35/416415935.db2.gz LNBKPPFBIUCPBH-LBPRGKRZSA-N 1 3 324.425 0.189 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419985637 416416369 /nfs/dbraw/zinc/41/63/69/416416369.db2.gz WAMKKQXRNUQJCL-CQSZACIVSA-N 1 3 324.425 0.269 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418451926 416387079 /nfs/dbraw/zinc/38/70/79/416387079.db2.gz WQOCRVWCDQXHCS-KBPBESRZSA-N 1 3 300.447 0.506 20 0 DCADHO COC[C@@]1(CNC(=O)N(C)CC2(N(C)C)CCC2)CCC[NH2+]1 ZINC000418657003 416388486 /nfs/dbraw/zinc/38/84/86/416388486.db2.gz QOABMIPAVXOKMY-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418706896 416389287 /nfs/dbraw/zinc/38/92/87/416389287.db2.gz SUKKPPBKXRRYNC-LSDHHAIUSA-N 1 3 313.490 0.781 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418960364 416394630 /nfs/dbraw/zinc/39/46/30/416394630.db2.gz IVEBHWHBNXPVAP-CQSZACIVSA-N 1 3 320.437 0.301 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419034106 416395600 /nfs/dbraw/zinc/39/56/00/416395600.db2.gz ZJNSDLDOEPQLNE-CHWSQXEVSA-N 1 3 312.458 0.324 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000419381297 416400746 /nfs/dbraw/zinc/40/07/46/416400746.db2.gz YFGRCMIJRDLNPK-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419778201 416410679 /nfs/dbraw/zinc/41/06/79/416410679.db2.gz OEXFIFZGVVORMP-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423123304 416466936 /nfs/dbraw/zinc/46/69/36/416466936.db2.gz MHVYVUTWNRLGJP-HUUCEWRRSA-N 1 3 324.469 0.374 20 0 DCADHO CCOC(=O)C1([C@@H](C)NCc2ccnc(OC)n2)CC[NH2+]CC1 ZINC000423150010 416470710 /nfs/dbraw/zinc/47/07/10/416470710.db2.gz YKDXOBRWMWDZCQ-GFCCVEGCSA-N 1 3 322.409 0.896 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420796369 416419809 /nfs/dbraw/zinc/41/98/09/416419809.db2.gz FTVMMZCGUDPMCQ-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420796369 416419811 /nfs/dbraw/zinc/41/98/11/416419811.db2.gz FTVMMZCGUDPMCQ-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422324524 416426266 /nfs/dbraw/zinc/42/62/66/416426266.db2.gz WVKBKZNGBCZFMD-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484223 416434006 /nfs/dbraw/zinc/43/40/06/416434006.db2.gz CBFOGNGEHFLUNK-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422484223 416434007 /nfs/dbraw/zinc/43/40/07/416434007.db2.gz CBFOGNGEHFLUNK-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)CC1 ZINC000422638479 416443174 /nfs/dbraw/zinc/44/31/74/416443174.db2.gz QJABQGCASJJGOO-ILXRZTDVSA-N 1 3 310.486 0.892 20 0 DCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423640551 416533174 /nfs/dbraw/zinc/53/31/74/416533174.db2.gz GTDIQDUWHWWATE-LSDHHAIUSA-N 1 3 322.453 0.126 20 0 DCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423640551 416533178 /nfs/dbraw/zinc/53/31/78/416533178.db2.gz GTDIQDUWHWWATE-LSDHHAIUSA-N 1 3 322.453 0.126 20 0 DCADHO Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCCN1CCC([NH3+])CC1 ZINC000423757116 416562183 /nfs/dbraw/zinc/56/21/83/416562183.db2.gz KQZMBTMHUGYRSB-UHFFFAOYSA-N 1 3 309.370 0.338 20 0 DCADHO C[C@@H]1CN(CCCN2CCCC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536544180 416543891 /nfs/dbraw/zinc/54/38/91/416543891.db2.gz ZVEUYILGTUOWDZ-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000434699468 416492841 /nfs/dbraw/zinc/49/28/41/416492841.db2.gz KYNBPZZAZQWQOS-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO COCCN(C)CCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423327606 416493245 /nfs/dbraw/zinc/49/32/45/416493245.db2.gz NMGCDFFLDKMDIO-OAHLLOKOSA-N 1 3 323.441 0.506 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@H]1[NH3+] ZINC000584166880 416504050 /nfs/dbraw/zinc/50/40/50/416504050.db2.gz MJMRGOMHMCIWCU-QLFBSQMISA-N 1 3 322.453 0.269 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423440886 416512169 /nfs/dbraw/zinc/51/21/69/416512169.db2.gz XRHDRQXREBPHKZ-OAGGEKHMSA-N 1 3 312.502 0.996 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423516203 416518999 /nfs/dbraw/zinc/51/89/99/416518999.db2.gz GJOPVIHSYWAYTK-NWANDNLSSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@H](CC(=O)N1CCO[C@@H]2CCN(C)C[C@H]21)[C@H]1CCC[NH2+]C1 ZINC000423928658 416593624 /nfs/dbraw/zinc/59/36/24/416593624.db2.gz HMNQNKAXHTYGOA-QKPAOTATSA-N 1 3 309.454 0.944 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(Nc2ccncc2)cc1 ZINC000423997260 416603494 /nfs/dbraw/zinc/60/34/94/416603494.db2.gz YBYJDDBATBSHPH-INIZCTEOSA-N 1 3 312.373 0.965 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)n1 ZINC000439423912 416612683 /nfs/dbraw/zinc/61/26/83/416612683.db2.gz QFVIUMSLIDLWAO-UHFFFAOYSA-N 1 3 322.457 1.394 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424137252 416616266 /nfs/dbraw/zinc/61/62/66/416616266.db2.gz BVRRZYJNYKQNCT-MGPQQGTHSA-N 1 3 318.425 0.511 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N(C)C ZINC000366236289 416620359 /nfs/dbraw/zinc/62/03/59/416620359.db2.gz LEUYKPMKGWMUDB-HZPDHXFCSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N(C)C ZINC000366236289 416620366 /nfs/dbraw/zinc/62/03/66/416620366.db2.gz LEUYKPMKGWMUDB-HZPDHXFCSA-N 1 3 310.486 0.954 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)c1 ZINC000424453509 416647383 /nfs/dbraw/zinc/64/73/83/416647383.db2.gz KIJIJZPNCOLIDY-OAHLLOKOSA-N 1 3 318.421 0.849 20 0 DCADHO CN1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000368198323 416659245 /nfs/dbraw/zinc/65/92/45/416659245.db2.gz ASCFBKYREAUCAE-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO CC[N@H+](C)C[C@@H](O)Cn1cc(COc2ccccc2CN)nn1 ZINC000641224396 416744846 /nfs/dbraw/zinc/74/48/46/416744846.db2.gz YSGIKGXFWCTDFV-OAHLLOKOSA-N 1 3 319.409 0.628 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)Cn1cc(COc2ccccc2CN)nn1 ZINC000641224396 416744851 /nfs/dbraw/zinc/74/48/51/416744851.db2.gz YSGIKGXFWCTDFV-OAHLLOKOSA-N 1 3 319.409 0.628 20 0 DCADHO O=C1N[C@@H]2CN(C[C@H]3CCCCO3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828270 416753890 /nfs/dbraw/zinc/75/38/90/416753890.db2.gz KJSFCQHJADNJSH-OAGGEKHMSA-N 1 3 322.453 0.776 20 0 DCADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368890647 416703660 /nfs/dbraw/zinc/70/36/60/416703660.db2.gz YIVRLCVXZYZCCE-LSDHHAIUSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368890645 416703797 /nfs/dbraw/zinc/70/37/97/416703797.db2.gz YIVRLCVXZYZCCE-GJZGRUSLSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)CCN(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426551194 416774606 /nfs/dbraw/zinc/77/46/06/416774606.db2.gz FJGWGAXQQKTXMV-CABCVRRESA-N 1 3 312.458 0.567 20 0 DCADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCN1C1CC1 ZINC000427048343 416796016 /nfs/dbraw/zinc/79/60/16/416796016.db2.gz DMTKDTYHHSOXLK-JKSUJKDBSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCCN1C1CC1 ZINC000427048343 416796023 /nfs/dbraw/zinc/79/60/23/416796023.db2.gz DMTKDTYHHSOXLK-JKSUJKDBSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636619991 416798124 /nfs/dbraw/zinc/79/81/24/416798124.db2.gz RCTKIOUHDUJFSW-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000444267822 416825454 /nfs/dbraw/zinc/82/54/54/416825454.db2.gz QROBDIFVGCPPKM-IAGOWNOFSA-N 1 3 316.449 0.843 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000518180677 416844905 /nfs/dbraw/zinc/84/49/05/416844905.db2.gz YPDSKBIWXIBWTM-MJBXVCDLSA-N 1 3 300.447 0.864 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000565238292 416956890 /nfs/dbraw/zinc/95/68/90/416956890.db2.gz GDUMOTYSQMGUON-LSDHHAIUSA-N 1 3 316.405 0.132 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428866646 416927662 /nfs/dbraw/zinc/92/76/62/416927662.db2.gz KDZOYYHRUYXWBM-OAHLLOKOSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC000641893811 417016866 /nfs/dbraw/zinc/01/68/66/417016866.db2.gz QAVTXCPEJMXOSI-QLFBSQMISA-N 1 3 310.442 0.347 20 0 DCADHO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000376055495 417017980 /nfs/dbraw/zinc/01/79/80/417017980.db2.gz QZVJHUFRRRSYKH-ZBFHGGJFSA-N 1 3 303.454 1.122 20 0 DCADHO C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000376055495 417017986 /nfs/dbraw/zinc/01/79/86/417017986.db2.gz QZVJHUFRRRSYKH-ZBFHGGJFSA-N 1 3 303.454 1.122 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375970441 417018309 /nfs/dbraw/zinc/01/83/09/417018309.db2.gz WEYUGQHBQSQAGO-HOTGVXAUSA-N 1 3 302.422 0.063 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000565665929 417004271 /nfs/dbraw/zinc/00/42/71/417004271.db2.gz NRVZAKRCBKQNFF-AWEZNQCLSA-N 1 3 324.469 0.422 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000565665929 417004280 /nfs/dbraw/zinc/00/42/80/417004280.db2.gz NRVZAKRCBKQNFF-AWEZNQCLSA-N 1 3 324.469 0.422 20 0 DCADHO COC[C@]1(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)CCC[NH2+]1 ZINC000641800289 417004661 /nfs/dbraw/zinc/00/46/61/417004661.db2.gz DDZNXQYQYQEGPU-GDBMZVCRSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000642785706 417097579 /nfs/dbraw/zinc/09/75/79/417097579.db2.gz DUGQXFBDBCOSJX-DOMZBBRYSA-N 1 3 322.453 0.173 20 0 DCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431018379 417098340 /nfs/dbraw/zinc/09/83/40/417098340.db2.gz WPAAWMYKODWRHC-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431018380 417098904 /nfs/dbraw/zinc/09/89/04/417098904.db2.gz WPAAWMYKODWRHC-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN(c2ccncc2)CC1 ZINC000637233774 417041178 /nfs/dbraw/zinc/04/11/78/417041178.db2.gz JWWMQKJJLNFZEE-CQSZACIVSA-N 1 3 303.410 0.913 20 0 DCADHO CC[C@@H](CNC(=O)COC1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000430760671 417063678 /nfs/dbraw/zinc/06/36/78/417063678.db2.gz HXAFFEPDMWJFOI-INIZCTEOSA-N 1 3 317.433 0.928 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)C1CC1 ZINC000523004912 417074462 /nfs/dbraw/zinc/07/44/62/417074462.db2.gz QBQLINIVAOIVPR-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)C1CC1 ZINC000523004912 417074469 /nfs/dbraw/zinc/07/44/69/417074469.db2.gz QBQLINIVAOIVPR-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000642733834 417085769 /nfs/dbraw/zinc/08/57/69/417085769.db2.gz PALSEBTYJSWPNA-DZGCQCFKSA-N 1 3 318.421 0.403 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000642901834 417112190 /nfs/dbraw/zinc/11/21/90/417112190.db2.gz FMKYGIWOIXXRKQ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000642919107 417122981 /nfs/dbraw/zinc/12/29/81/417122981.db2.gz OMHIOQBBPNBINY-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO [NH3+]C[C@H](C(=O)N[C@@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000449668084 417162720 /nfs/dbraw/zinc/16/27/20/417162720.db2.gz SHXSHRFJTKUGCB-NWDGAFQWSA-N 1 3 301.312 0.981 20 0 DCADHO [NH3+]C[C@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CCCOC1 ZINC000637822471 417200134 /nfs/dbraw/zinc/20/01/34/417200134.db2.gz AYYOUVPPLBXNFZ-MRXNPFEDSA-N 1 3 319.409 0.185 20 0 DCADHO CN(C)C1(CNC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCC1 ZINC000627018381 417211623 /nfs/dbraw/zinc/21/16/23/417211623.db2.gz UWOVNDQDIXCVRQ-ZDUSSCGKSA-N 1 3 321.429 0.096 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000643494686 417225450 /nfs/dbraw/zinc/22/54/50/417225450.db2.gz ZJXKVDFACPKIDJ-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCCN1CC[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632567721 417167679 /nfs/dbraw/zinc/16/76/79/417167679.db2.gz MKERHPPSJPBFNX-AWEZNQCLSA-N 1 3 303.472 0.876 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414717944 417296472 /nfs/dbraw/zinc/29/64/72/417296472.db2.gz ZZFMXXOSFKNCEE-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCCN(C)CC2)CCCO1 ZINC000433453628 417272319 /nfs/dbraw/zinc/27/23/19/417272319.db2.gz BQRYEZTVBUTORG-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCCN(C)CC2)CCCO1 ZINC000433453628 417272329 /nfs/dbraw/zinc/27/23/29/417272329.db2.gz BQRYEZTVBUTORG-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[NH2+]1 ZINC000627211036 417281634 /nfs/dbraw/zinc/28/16/34/417281634.db2.gz ZTAYODRVSZDJFN-MBNYWOFBSA-N 1 3 321.429 0.224 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414695069 417295358 /nfs/dbraw/zinc/29/53/58/417295358.db2.gz OSCNRQDRKMFSQI-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000569244882 417235521 /nfs/dbraw/zinc/23/55/21/417235521.db2.gz BXUOHWOGDPRBAR-XQQFMLRXSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@H]1C[C@@H](CN2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000414690006 417295916 /nfs/dbraw/zinc/29/59/16/417295916.db2.gz HEKPRDRYHXBEKM-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643591507 417250458 /nfs/dbraw/zinc/25/04/58/417250458.db2.gz ALVYAPQOAMLANN-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C[NH+](C)C ZINC000415269963 417349612 /nfs/dbraw/zinc/34/96/12/417349612.db2.gz PCSPGASNXVGUHS-GFCCVEGCSA-N 1 3 318.421 0.585 20 0 DCADHO COc1ccccc1-n1nccc1CNCCN1CC[NH2+]CC1 ZINC000414884380 417313496 /nfs/dbraw/zinc/31/34/96/417313496.db2.gz ODXORHZXNLHQQU-UHFFFAOYSA-N 1 3 315.421 0.876 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000638095721 417324566 /nfs/dbraw/zinc/32/45/66/417324566.db2.gz CLJLEZQZIWZFSZ-IAGOWNOFSA-N 1 3 318.465 0.998 20 0 DCADHO CNCc1cccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000415131574 417333200 /nfs/dbraw/zinc/33/32/00/417333200.db2.gz ZODNJWFEZFEQBW-UHFFFAOYSA-N 1 3 306.410 0.849 20 0 DCADHO CC[NH2+][C@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638108945 417334750 /nfs/dbraw/zinc/33/47/50/417334750.db2.gz QSDLRFJRSZPXMM-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000570308256 417338067 /nfs/dbraw/zinc/33/80/67/417338067.db2.gz POHKSPWNWXTPQE-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000627301321 417339285 /nfs/dbraw/zinc/33/92/85/417339285.db2.gz BLRLMCUHTWVGHG-XJKSGUPXSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000415216628 417343717 /nfs/dbraw/zinc/34/37/17/417343717.db2.gz PLWRIISCNNRCKM-ZDUSSCGKSA-N 1 3 308.430 0.956 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@]1(COC)CCCCN1 ZINC000638130637 417343923 /nfs/dbraw/zinc/34/39/23/417343923.db2.gz LUTUZJUVAPINDH-ZBFHGGJFSA-N 1 3 315.458 0.618 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000415220071 417344472 /nfs/dbraw/zinc/34/44/72/417344472.db2.gz UIAQZYXOMKGPLU-OLZOCXBDSA-N 1 3 308.430 1.084 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000415209518 417344700 /nfs/dbraw/zinc/34/47/00/417344700.db2.gz GXUJKXOIQMRDLJ-ZDUSSCGKSA-N 1 3 310.446 1.282 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(COC)CCCCN1 ZINC000638130632 417346251 /nfs/dbraw/zinc/34/62/51/417346251.db2.gz LUTUZJUVAPINDH-GDBMZVCRSA-N 1 3 315.458 0.618 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000627377884 417384095 /nfs/dbraw/zinc/38/40/95/417384095.db2.gz WDSJSTQMASVZJC-UHFFFAOYSA-N 1 3 306.410 0.172 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000638235013 417386678 /nfs/dbraw/zinc/38/66/78/417386678.db2.gz RPHVNDYFHJCPHV-MRXNPFEDSA-N 1 3 305.426 0.660 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638256671 417396251 /nfs/dbraw/zinc/39/62/51/417396251.db2.gz QLKDAGOJCGLTOS-LBPRGKRZSA-N 1 3 319.409 0.771 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000638209563 417376165 /nfs/dbraw/zinc/37/61/65/417376165.db2.gz DRDALDJFPJGXPD-KBMXLJTQSA-N 1 3 304.438 0.702 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000638370044 417436871 /nfs/dbraw/zinc/43/68/71/417436871.db2.gz WNTCSLCCBXZODW-AWEZNQCLSA-N 1 3 305.426 0.849 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000638409374 417446429 /nfs/dbraw/zinc/44/64/29/417446429.db2.gz KQSSKSQVLPVIER-OAHLLOKOSA-N 1 3 304.438 0.833 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C2CC2)nn1 ZINC000571504256 417450386 /nfs/dbraw/zinc/45/03/86/417450386.db2.gz KZJOGNXQPAQRAC-UHFFFAOYSA-N 1 3 320.441 1.311 20 0 DCADHO O=C(COC1CC[NH2+]CC1)Nc1ccc2c(c1)OCCNC2 ZINC000638668823 417530160 /nfs/dbraw/zinc/53/01/60/417530160.db2.gz QINWQNHFSYTHEZ-UHFFFAOYSA-N 1 3 305.378 0.876 20 0 DCADHO C[C@@H](CNC(=O)NCc1ccnc(OCCN(C)C)c1)[NH+](C)C ZINC000454739901 417577759 /nfs/dbraw/zinc/57/77/59/417577759.db2.gz QVSIPFKKEPSLDO-ZDUSSCGKSA-N 1 3 323.441 0.771 20 0 DCADHO CN1CCC(n2cc(NC(=O)[C@]3(C[NH3+])CCCOC3)cn2)CC1 ZINC000638977329 417593424 /nfs/dbraw/zinc/59/34/24/417593424.db2.gz KVXSWMKNEQIEHJ-INIZCTEOSA-N 1 3 321.425 0.844 20 0 DCADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638985981 417599049 /nfs/dbraw/zinc/59/90/49/417599049.db2.gz QJIRTYCYAXLBEE-GXTWGEPZSA-N 1 3 303.410 0.947 20 0 DCADHO CN1CCC[C@]2(CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)C2)C1 ZINC000576015409 417570555 /nfs/dbraw/zinc/57/05/55/417570555.db2.gz LPLJKAREKJZEGA-HOCLYGCPSA-N 1 3 309.458 0.017 20 0 DCADHO C[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000644556125 417619694 /nfs/dbraw/zinc/61/96/94/417619694.db2.gz VEPFLPVNXCJVDD-CZUORRHYSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000644556125 417619698 /nfs/dbraw/zinc/61/96/98/417619698.db2.gz VEPFLPVNXCJVDD-CZUORRHYSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@@H](O)C[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000644556125 417619702 /nfs/dbraw/zinc/61/97/02/417619702.db2.gz VEPFLPVNXCJVDD-CZUORRHYSA-N 1 3 305.422 0.854 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000576569879 417619747 /nfs/dbraw/zinc/61/97/47/417619747.db2.gz CMPYZMHCBLYQRA-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576648759 417627024 /nfs/dbraw/zinc/62/70/24/417627024.db2.gz QJAUYUJODUOVJN-SJLPKXTDSA-N 1 3 317.433 0.691 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576648759 417627031 /nfs/dbraw/zinc/62/70/31/417627031.db2.gz QJAUYUJODUOVJN-SJLPKXTDSA-N 1 3 317.433 0.691 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NC[C@H](CO)c2cccnc2)CC1 ZINC000639182238 417636712 /nfs/dbraw/zinc/63/67/12/417636712.db2.gz DFLXCQDWRZDJLH-OAHLLOKOSA-N 1 3 307.438 0.982 20 0 DCADHO C[NH+](C)CCOc1cnccc1CNC[C@@H](O)Cn1cccn1 ZINC000644648653 417636987 /nfs/dbraw/zinc/63/69/87/417636987.db2.gz YFIFFFSHDYBJBO-OAHLLOKOSA-N 1 3 319.409 0.369 20 0 DCADHO CN1CCC(Nc2cnc(NC3CC[NH+](C)CC3)cn2)CC1 ZINC000578638176 417684881 /nfs/dbraw/zinc/68/48/81/417684881.db2.gz BFQVZSVPIZCJPN-UHFFFAOYSA-N 1 3 304.442 1.489 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000635376915 417645936 /nfs/dbraw/zinc/64/59/36/417645936.db2.gz MCCUPEGBBALYSK-CVEARBPZSA-N 1 3 307.438 0.840 20 0 DCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645135576 417705374 /nfs/dbraw/zinc/70/53/74/417705374.db2.gz CHSFFHDWTSHDDY-HZSPNIEDSA-N 1 3 322.453 0.091 20 0 DCADHO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCN1C1CCCC1 ZINC000635580988 417710898 /nfs/dbraw/zinc/71/08/98/417710898.db2.gz OOCLTXZWXGUSIB-INIZCTEOSA-N 1 3 309.454 0.966 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580725189 417724085 /nfs/dbraw/zinc/72/40/85/417724085.db2.gz PGBUJFXSESCLND-HUUCEWRRSA-N 1 3 324.469 0.659 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444184183 287417541 /nfs/dbraw/zinc/41/75/41/287417541.db2.gz PAHCLCVQHZIQTB-PBHICJAKSA-N 1 3 309.454 0.992 20 0 DCADHO O=C(N[C@H](CO)CN1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC000635915712 417794900 /nfs/dbraw/zinc/79/49/00/417794900.db2.gz YYCXDTQOFHNKPY-HNNXBMFYSA-N 1 3 309.454 0.825 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000646213142 417807930 /nfs/dbraw/zinc/80/79/30/417807930.db2.gz CKYZQGDIQZEGPB-SOUVJXGZSA-N 1 3 311.474 0.534 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662684925 417850667 /nfs/dbraw/zinc/85/06/67/417850667.db2.gz LUIGSLDFFGXFLG-CHWSQXEVSA-N 1 3 305.426 0.900 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652154927 417853652 /nfs/dbraw/zinc/85/36/52/417853652.db2.gz RXDOFYUTPFKMCV-AWEZNQCLSA-N 1 3 324.400 0.804 20 0 DCADHO COC[C@]1(CNC(=O)N(C)CCN2CCCCC2)CCC[NH2+]1 ZINC000652218863 417867608 /nfs/dbraw/zinc/86/76/08/417867608.db2.gz FWXWJJJHOPDSJO-MRXNPFEDSA-N 1 3 312.458 0.882 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652236966 417868621 /nfs/dbraw/zinc/86/86/21/417868621.db2.gz FMGGSWAVGTWJEH-AWEZNQCLSA-N 1 3 311.474 0.441 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)n1 ZINC000636108257 417870738 /nfs/dbraw/zinc/87/07/38/417870738.db2.gz BYWZLRQLLLTHLO-KBPBESRZSA-N 1 3 307.442 0.903 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662748600 417885601 /nfs/dbraw/zinc/88/56/01/417885601.db2.gz CBTNQAQUMPZJLZ-LBPRGKRZSA-N 1 3 307.398 0.522 20 0 DCADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662748600 417885606 /nfs/dbraw/zinc/88/56/06/417885606.db2.gz CBTNQAQUMPZJLZ-LBPRGKRZSA-N 1 3 307.398 0.522 20 0 DCADHO CCN1CCN(CCCNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662755400 417893486 /nfs/dbraw/zinc/89/34/86/417893486.db2.gz AQOVDPAGSUGPHP-UHFFFAOYSA-N 1 3 308.470 0.805 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000631558163 417901752 /nfs/dbraw/zinc/90/17/52/417901752.db2.gz KYHMOBPDIMQRFH-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000631558163 417901757 /nfs/dbraw/zinc/90/17/57/417901757.db2.gz KYHMOBPDIMQRFH-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)N1CCN(c2ccncc2)CC1 ZINC000640746853 417903604 /nfs/dbraw/zinc/90/36/04/417903604.db2.gz QLRIMTQHIWATRJ-UHFFFAOYSA-N 1 3 301.394 0.833 20 0 DCADHO CN(C)CCN(C)C(=O)[C@H]1CC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000631598574 417904519 /nfs/dbraw/zinc/90/45/19/417904519.db2.gz DJAVSXXCPPIVHD-KBPBESRZSA-N 1 3 312.458 0.053 20 0 DCADHO CC(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000646375744 417841356 /nfs/dbraw/zinc/84/13/56/417841356.db2.gz HNXXCEWYYGDHQA-AGIUHOORSA-N 1 3 302.440 0.658 20 0 DCADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662813489 417914524 /nfs/dbraw/zinc/91/45/24/417914524.db2.gz JKKFJWNFJRRNAV-STQMWFEESA-N 1 3 306.414 0.288 20 0 DCADHO O=C(CNC1CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662860194 417930105 /nfs/dbraw/zinc/93/01/05/417930105.db2.gz RFCSYJQKYSMNDW-INIZCTEOSA-N 1 3 303.406 0.621 20 0 DCADHO O=C(CNC1CC1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662860194 417930109 /nfs/dbraw/zinc/93/01/09/417930109.db2.gz RFCSYJQKYSMNDW-INIZCTEOSA-N 1 3 303.406 0.621 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000652612243 417932493 /nfs/dbraw/zinc/93/24/93/417932493.db2.gz MOSABFWLAZTBQQ-JSGCOSHPSA-N 1 3 306.414 0.660 20 0 DCADHO CCN1CCC(NC(=O)Cn2cc([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000640868175 417938444 /nfs/dbraw/zinc/93/84/44/417938444.db2.gz YUSIUZVLDAYMBT-CYBMUJFWSA-N 1 3 320.441 0.346 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673019 417940770 /nfs/dbraw/zinc/94/07/70/417940770.db2.gz CFONKFUMZGDDBH-UONOGXRCSA-N 1 3 324.469 0.468 20 0 DCADHO CN(C(=O)[C@H]1CSCN1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899777 417943506 /nfs/dbraw/zinc/94/35/06/417943506.db2.gz GRGFEOHTRUSSFT-ZIAGYGMSSA-N 1 3 312.483 0.276 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652703224 417949283 /nfs/dbraw/zinc/94/92/83/417949283.db2.gz NEFKFOJFMYPVOL-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(CC1(N2CCOCC2)CCCC1)NCC12CC(C1)C[NH2+]2 ZINC000662922838 417952708 /nfs/dbraw/zinc/95/27/08/417952708.db2.gz MDTZFFQMKYOVFK-UHFFFAOYSA-N 1 3 307.438 0.890 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000662940941 417958017 /nfs/dbraw/zinc/95/80/17/417958017.db2.gz QOPUAIOPDOTGKW-CQSZACIVSA-N 1 3 312.458 0.467 20 0 DCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662943030 417958290 /nfs/dbraw/zinc/95/82/90/417958290.db2.gz ONVBHAWNOZBBPG-UHFFFAOYSA-N 1 3 310.442 0.126 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000652731904 417960260 /nfs/dbraw/zinc/96/02/60/417960260.db2.gz YBTNQRRJACBMON-AWEZNQCLSA-N 1 3 310.442 0.271 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662986207 417971565 /nfs/dbraw/zinc/97/15/65/417971565.db2.gz AYYCUZMZRXLBGT-KFWWJZLASA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)Cc1ccccc1 ZINC000653105901 418026643 /nfs/dbraw/zinc/02/66/43/418026643.db2.gz NAYSARBVXFXLOF-JKSUJKDBSA-N 1 3 306.454 0.555 20 0 DCADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCOC4(CNC4)C3)cc21 ZINC000663492944 418027648 /nfs/dbraw/zinc/02/76/48/418027648.db2.gz WDCZRNQEMQNTOL-OAHLLOKOSA-N 1 3 315.417 0.880 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N(C)C)cc1 ZINC000653112349 418028880 /nfs/dbraw/zinc/02/88/80/418028880.db2.gz WAOHJROGNHHCJQ-JKSUJKDBSA-N 1 3 306.454 0.993 20 0 DCADHO C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000653119633 418030999 /nfs/dbraw/zinc/03/09/99/418030999.db2.gz QJTBDICJHXOSKV-ZBFHGGJFSA-N 1 3 306.454 0.902 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653125398 418033840 /nfs/dbraw/zinc/03/38/40/418033840.db2.gz YFQMGBIHWKEQHY-HOTGVXAUSA-N 1 3 310.486 0.766 20 0 DCADHO O=C(N1CCN(C2CCCCC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653147830 418035962 /nfs/dbraw/zinc/03/59/62/418035962.db2.gz BKCPQPUINWJYNR-YOEHRIQHSA-N 1 3 307.438 0.699 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000653194574 418043074 /nfs/dbraw/zinc/04/30/74/418043074.db2.gz NORCLAABQNGGQI-RDJZCZTQSA-N 1 3 308.470 0.601 20 0 DCADHO CN(CCN1CCCCC1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000653274910 418050638 /nfs/dbraw/zinc/05/06/38/418050638.db2.gz RVEWSAOUSDCVQY-UHFFFAOYSA-N 1 3 320.441 0.761 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000659112526 418062726 /nfs/dbraw/zinc/06/27/26/418062726.db2.gz JPSXVXWRIAVTLV-LBPRGKRZSA-N 1 3 306.410 0.719 20 0 DCADHO Cn1cc(C(=O)NCC2CCN(C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000647883402 418069660 /nfs/dbraw/zinc/06/96/60/418069660.db2.gz OKQKGYMRCCNIBL-CQSZACIVSA-N 1 3 305.426 0.471 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978827 418082352 /nfs/dbraw/zinc/08/23/52/418082352.db2.gz YUWUKLKFYYYSOB-ZIAGYGMSSA-N 1 3 303.472 0.637 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659458773 418100465 /nfs/dbraw/zinc/10/04/65/418100465.db2.gz AFMLTURANLLCOB-UQPPLGOBSA-N 1 3 323.485 0.393 20 0 DCADHO C[NH+](C)CCCC(C)(C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629381 418131068 /nfs/dbraw/zinc/13/10/68/418131068.db2.gz FZCPRIVUBADCQS-UHFFFAOYSA-N 1 3 324.429 0.561 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000659633328 418132924 /nfs/dbraw/zinc/13/29/24/418132924.db2.gz RTQTZLMPNWKNPC-LBPRGKRZSA-N 1 3 320.397 0.021 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654731088 418180560 /nfs/dbraw/zinc/18/05/60/418180560.db2.gz BWGFZTDJVMNEJR-IJEWVQPXSA-N 1 3 312.458 0.615 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC2CC1(CN)C2)C(C)(C)C ZINC000659686788 418146834 /nfs/dbraw/zinc/14/68/34/418146834.db2.gz JONSKLMKALLPHF-UIORMTCPSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](CN)C1 ZINC000659711317 418156842 /nfs/dbraw/zinc/15/68/42/418156842.db2.gz ZERBZTGMCJDLRK-QPSCCSFWSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](CN)C1 ZINC000659711317 418156844 /nfs/dbraw/zinc/15/68/44/418156844.db2.gz ZERBZTGMCJDLRK-QPSCCSFWSA-N 1 3 322.453 0.315 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000654529602 418157479 /nfs/dbraw/zinc/15/74/79/418157479.db2.gz OIBAMFPLCDNTIO-KBPBESRZSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000654529602 418157480 /nfs/dbraw/zinc/15/74/80/418157480.db2.gz OIBAMFPLCDNTIO-KBPBESRZSA-N 1 3 305.426 0.801 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000659713967 418158414 /nfs/dbraw/zinc/15/84/14/418158414.db2.gz SETFUJUHPVKQBW-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000659712884 418158658 /nfs/dbraw/zinc/15/86/58/418158658.db2.gz GTNAHQTURRPQCW-WXRRBKDZSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659716840 418160267 /nfs/dbraw/zinc/16/02/67/418160267.db2.gz YGTUMSBKAFNELT-SOUVJXGZSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000659720209 418161943 /nfs/dbraw/zinc/16/19/43/418161943.db2.gz QYPGKUWEWODEHG-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCCC1 ZINC000659734519 418168824 /nfs/dbraw/zinc/16/88/24/418168824.db2.gz QGPYYWQIEWYPMS-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000659738201 418170711 /nfs/dbraw/zinc/17/07/11/418170711.db2.gz BJWLJBXWCFCCKU-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000649352868 418247167 /nfs/dbraw/zinc/24/71/67/418247167.db2.gz RJJLPTBHALUWOV-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)[C@@]1(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000649296555 418226604 /nfs/dbraw/zinc/22/66/04/418226604.db2.gz QWHCKJGFVAZUBA-ZYHUDNBSSA-N 1 3 307.410 0.785 20 0 DCADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C(F)(F)F ZINC000655925877 418302137 /nfs/dbraw/zinc/30/21/37/418302137.db2.gz GEMFLJXBMUAZPZ-ZJUUUORDSA-N 1 3 312.336 0.022 20 0 DCADHO CC[NH+](CC)CC[C@H](CO)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655928500 418304312 /nfs/dbraw/zinc/30/43/12/418304312.db2.gz NDAZILGHOCLUKB-ZJUUUORDSA-N 1 3 314.352 0.268 20 0 DCADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655962938 418308205 /nfs/dbraw/zinc/30/82/05/418308205.db2.gz JDPLELJFSDLXFK-VBNZEHGJSA-N 1 3 318.421 0.667 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655969568 418309627 /nfs/dbraw/zinc/30/96/27/418309627.db2.gz KXWABBXSKJVURM-ZNMIVQPWSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000655973951 418310058 /nfs/dbraw/zinc/31/00/58/418310058.db2.gz KXSVOXGVWKZQFW-YJNKXOJESA-N 1 3 310.442 0.761 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000655973817 418310297 /nfs/dbraw/zinc/31/02/97/418310297.db2.gz IRPJABGJLQYKRK-ILXRZTDVSA-N 1 3 310.442 0.763 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000661163968 418320523 /nfs/dbraw/zinc/32/05/23/418320523.db2.gz ZNNBSGQSTHUJHL-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[NH2+]1 ZINC000656025464 418320811 /nfs/dbraw/zinc/32/08/11/418320811.db2.gz KSQVLRFTFBDQOS-KBUPBQIOSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000660435288 418259771 /nfs/dbraw/zinc/25/97/71/418259771.db2.gz DZYXCNZJQTUDCQ-DOTOQJQBSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000660435288 418259774 /nfs/dbraw/zinc/25/97/74/418259774.db2.gz DZYXCNZJQTUDCQ-DOTOQJQBSA-N 1 3 313.486 0.873 20 0 DCADHO [NH3+]C[C@H](O)CCc1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656455254 418355124 /nfs/dbraw/zinc/35/51/24/418355124.db2.gz AYAKSFAKYVYREG-IAGOWNOFSA-N 1 3 315.421 0.977 20 0 DCADHO CNCC(=O)Nc1cccc(-c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000656466747 418356717 /nfs/dbraw/zinc/35/67/17/418356717.db2.gz HXCRKXJWDYTAQG-ZDUSSCGKSA-N 1 3 300.366 0.637 20 0 DCADHO COc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cn1 ZINC000656787162 418376123 /nfs/dbraw/zinc/37/61/23/418376123.db2.gz FAJYEMCCHRTWEH-CQSZACIVSA-N 1 3 306.410 0.719 20 0 DCADHO COc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cn1 ZINC000656787162 418376126 /nfs/dbraw/zinc/37/61/26/418376126.db2.gz FAJYEMCCHRTWEH-CQSZACIVSA-N 1 3 306.410 0.719 20 0 DCADHO O=C([C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662248963 418393245 /nfs/dbraw/zinc/39/32/45/418393245.db2.gz MLBNPEJFKRLUEV-LSDHHAIUSA-N 1 3 323.437 0.078 20 0 DCADHO O=C([C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662248963 418393248 /nfs/dbraw/zinc/39/32/48/418393248.db2.gz MLBNPEJFKRLUEV-LSDHHAIUSA-N 1 3 323.437 0.078 20 0 DCADHO Cn1cncc1CCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000662273113 418395448 /nfs/dbraw/zinc/39/54/48/418395448.db2.gz TVUWMIJFFMPINW-HNNXBMFYSA-N 1 3 307.442 0.672 20 0 DCADHO O=C(C[C@@H]1NCc2ccccc21)NCCCN1CC[NH2+]CC1 ZINC000662390389 418406790 /nfs/dbraw/zinc/40/67/90/418406790.db2.gz JIKPFOFFMAWVOZ-INIZCTEOSA-N 1 3 302.422 0.633 20 0 DCADHO CC[C@H]([NH2+]C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000662439832 418409784 /nfs/dbraw/zinc/40/97/84/418409784.db2.gz GQQWFUJWGBYPLT-HNNXBMFYSA-N 1 3 320.437 0.592 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H](CN)C(F)(F)F)CC1 ZINC000662332059 418401264 /nfs/dbraw/zinc/40/12/64/418401264.db2.gz MOMAMYVSWUGOSZ-LBPRGKRZSA-N 1 3 324.391 0.797 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662359926 418403396 /nfs/dbraw/zinc/40/33/96/418403396.db2.gz CKAYQWLTKZCCOU-ZDUSSCGKSA-N 1 3 306.414 0.417 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662386741 418405497 /nfs/dbraw/zinc/40/54/97/418405497.db2.gz GMRZYXPMOYHLPP-CHWSQXEVSA-N 1 3 305.426 0.948 20 0 DCADHO CN(C)CCOCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000471641188 287517855 /nfs/dbraw/zinc/51/78/55/287517855.db2.gz DWJSVFYJGZYBGL-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000187234629 261123089 /nfs/dbraw/zinc/12/30/89/261123089.db2.gz PZLSBJGQKHUKEY-OAHLLOKOSA-N 1 3 314.474 0.720 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C)CC2(O)CCOCC2)CC1 ZINC000192839460 261139459 /nfs/dbraw/zinc/13/94/59/261139459.db2.gz IPBUGNVWCSMWBF-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C)CC2(O)CCOCC2)CC1 ZINC000192839460 261139460 /nfs/dbraw/zinc/13/94/60/261139460.db2.gz IPBUGNVWCSMWBF-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCOCC1 ZINC000354345617 261206340 /nfs/dbraw/zinc/20/63/40/261206340.db2.gz CULBONDEOOKQLJ-MRXNPFEDSA-N 1 3 313.486 0.781 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000355315206 261330293 /nfs/dbraw/zinc/33/02/93/261330293.db2.gz OYAYXUWHVVVWRN-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)o1 ZINC000362693288 262060876 /nfs/dbraw/zinc/06/08/76/262060876.db2.gz NAOIQHCMOHVFJZ-CQSZACIVSA-N 1 3 323.441 0.795 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)o1 ZINC000362693288 262060878 /nfs/dbraw/zinc/06/08/78/262060878.db2.gz NAOIQHCMOHVFJZ-CQSZACIVSA-N 1 3 323.441 0.795 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000362969243 262090685 /nfs/dbraw/zinc/09/06/85/262090685.db2.gz JWDVVMQTNYIFJN-TZMCWYRMSA-N 1 3 306.410 0.546 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000362969243 262090686 /nfs/dbraw/zinc/09/06/86/262090686.db2.gz JWDVVMQTNYIFJN-TZMCWYRMSA-N 1 3 306.410 0.546 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000363108286 262099392 /nfs/dbraw/zinc/09/93/92/262099392.db2.gz CNILGUOLVJAEFK-HNNXBMFYSA-N 1 3 324.469 0.977 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000363657189 262125285 /nfs/dbraw/zinc/12/52/85/262125285.db2.gz WLEKSWRQOQYDGW-AWEZNQCLSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000363657189 262125287 /nfs/dbraw/zinc/12/52/87/262125287.db2.gz WLEKSWRQOQYDGW-AWEZNQCLSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000363657189 262125289 /nfs/dbraw/zinc/12/52/89/262125289.db2.gz WLEKSWRQOQYDGW-AWEZNQCLSA-N 1 3 310.442 0.267 20 0 DCADHO NC1(C(=O)N2CCC(OCCC[NH3+])CC2)Cc2ccccc2C1 ZINC000370567306 262147088 /nfs/dbraw/zinc/14/70/88/262147088.db2.gz FIAJIZZIWRYAQG-UHFFFAOYSA-N 1 3 317.433 0.839 20 0 DCADHO CCN1CC[C@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000412875569 262196053 /nfs/dbraw/zinc/19/60/53/262196053.db2.gz JOMGNJSCDBJHAX-AWEZNQCLSA-N 1 3 306.410 0.846 20 0 DCADHO CCN1CC[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000413826617 262224052 /nfs/dbraw/zinc/22/40/52/262224052.db2.gz ATYAMVXCDKJHRN-HUUCEWRRSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)N1CCN(C)CC1 ZINC000416963578 262242789 /nfs/dbraw/zinc/24/27/89/262242789.db2.gz VGYLTELNMSXSEL-CABCVRRESA-N 1 3 311.474 0.295 20 0 DCADHO CCN1CCN(Cc2ccc(CNC(=O)NCC[NH3+])cc2)CC1 ZINC000416982189 262243183 /nfs/dbraw/zinc/24/31/83/262243183.db2.gz DSAULJWAHFJPOY-UHFFFAOYSA-N 1 3 319.453 0.582 20 0 DCADHO CCCN(C(=O)NC1CCN(CCOC)CC1)[C@@H]1CC[NH2+]C1 ZINC000417295958 262249636 /nfs/dbraw/zinc/24/96/36/262249636.db2.gz LMJRWMLVRJBVBY-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000417749798 262260027 /nfs/dbraw/zinc/26/00/27/262260027.db2.gz JTZGHWIVTFMLPR-GJZGRUSLSA-N 1 3 313.490 0.687 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000417757256 262260696 /nfs/dbraw/zinc/26/06/96/262260696.db2.gz SZBSZYZXCGKVFR-KBPBESRZSA-N 1 3 300.447 0.642 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCSC1 ZINC000417823796 262262518 /nfs/dbraw/zinc/26/25/18/262262518.db2.gz KFQASBSCAOHMPM-NFAWXSAZSA-N 1 3 312.483 0.675 20 0 DCADHO CN(C)CCOCCNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418064813 262268922 /nfs/dbraw/zinc/26/89/22/262268922.db2.gz IWEVULCHMFGUTM-ZDUSSCGKSA-N 1 3 300.447 0.642 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418416799 262276845 /nfs/dbraw/zinc/27/68/45/262276845.db2.gz WDSKMXNUBCINNU-UKRRQHHQSA-N 1 3 312.458 0.864 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418515825 262280513 /nfs/dbraw/zinc/28/05/13/262280513.db2.gz YSNMCEVAYPBIKE-OAHLLOKOSA-N 1 3 306.410 0.409 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000418595901 262283469 /nfs/dbraw/zinc/28/34/69/262283469.db2.gz XNJRMMMFMRPSDF-CQSZACIVSA-N 1 3 313.490 0.700 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418829425 262291932 /nfs/dbraw/zinc/29/19/32/262291932.db2.gz IVQULSYBHNRRSU-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO CN(C(=O)C(=O)NCC(C)(C)N1CCCCC1)C1CC[NH2+]CC1 ZINC000418846383 262292775 /nfs/dbraw/zinc/29/27/75/262292775.db2.gz XWMVJRIQFJAWHH-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418919300 262298079 /nfs/dbraw/zinc/29/80/79/262298079.db2.gz ADFHDVOCFKAMEV-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCCC[NH3+])N(C)Cc1ccccc1 ZINC000418965839 262300691 /nfs/dbraw/zinc/30/06/91/262300691.db2.gz PHVMEMGFQMIWEK-CQSZACIVSA-N 1 3 320.437 0.478 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000419001883 262303097 /nfs/dbraw/zinc/30/30/97/262303097.db2.gz PMNLWBJJZLVWLZ-AWEZNQCLSA-N 1 3 320.437 0.336 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000419002495 262303433 /nfs/dbraw/zinc/30/34/33/262303433.db2.gz SZEJQMZKXVROHN-OAHLLOKOSA-N 1 3 318.421 0.314 20 0 DCADHO CN(CCN)C(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000419008630 262303600 /nfs/dbraw/zinc/30/36/00/262303600.db2.gz VZACZYVDOJAYCT-UHFFFAOYSA-N 1 3 306.410 0.042 20 0 DCADHO CN(CCN)C(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000419008630 262303601 /nfs/dbraw/zinc/30/36/01/262303601.db2.gz VZACZYVDOJAYCT-UHFFFAOYSA-N 1 3 306.410 0.042 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419020385 262305226 /nfs/dbraw/zinc/30/52/26/262305226.db2.gz FPWANBXYJSYCDR-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419018149 262305365 /nfs/dbraw/zinc/30/53/65/262305365.db2.gz BROAVAJPEQOFRN-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO NCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419017812 262305706 /nfs/dbraw/zinc/30/57/06/262305706.db2.gz OKOJCBTZZOMXDU-UHFFFAOYSA-N 1 3 318.421 0.364 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419077817 262307249 /nfs/dbraw/zinc/30/72/49/262307249.db2.gz JXKNGLULBCVFDE-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419079674 262307262 /nfs/dbraw/zinc/30/72/62/262307262.db2.gz NFKOREINKIACIF-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419103555 262309297 /nfs/dbraw/zinc/30/92/97/262309297.db2.gz GEGOCMCOXJXCMN-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419097662 262309505 /nfs/dbraw/zinc/30/95/05/262309505.db2.gz FNANFSAGQSETHB-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000419129060 262311282 /nfs/dbraw/zinc/31/12/82/262311282.db2.gz AHETVBCPEDSIKX-ZNMIVQPWSA-N 1 3 324.469 0.609 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419158010 262314648 /nfs/dbraw/zinc/31/46/48/262314648.db2.gz MGZALRMUPQZPBD-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)CCC1 ZINC000419235949 262321817 /nfs/dbraw/zinc/32/18/17/262321817.db2.gz KCWBNEQEJMRXII-CQSZACIVSA-N 1 3 318.421 0.403 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232778 262322118 /nfs/dbraw/zinc/32/21/18/262322118.db2.gz VCGAVIITOBFSSM-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000419418596 262332040 /nfs/dbraw/zinc/33/20/40/262332040.db2.gz ILHDFLPOZVXLGN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419418653 262332077 /nfs/dbraw/zinc/33/20/77/262332077.db2.gz IPZQPHCVFYPTSH-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419419280 262332678 /nfs/dbraw/zinc/33/26/78/262332678.db2.gz IXWGIAAYFUXOQF-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419553180 262337823 /nfs/dbraw/zinc/33/78/23/262337823.db2.gz YINLDRUKWMBDSE-OLZOCXBDSA-N 1 3 314.474 0.713 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N(C)C1CC1 ZINC000419588578 262339078 /nfs/dbraw/zinc/33/90/78/262339078.db2.gz ONUSFXZUJZJGJP-PAPYEOQZSA-N 1 3 322.453 0.171 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419596041 262339822 /nfs/dbraw/zinc/33/98/22/262339822.db2.gz XLCURTMVDBVBJB-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])C1=CCN(C)CC1 ZINC000419619840 262342758 /nfs/dbraw/zinc/34/27/58/262342758.db2.gz BVACSIKZLGBCKE-VNHYZAJKSA-N 1 3 322.453 0.339 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419696988 262347113 /nfs/dbraw/zinc/34/71/13/262347113.db2.gz NICIQASVMCGIQO-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419698501 262347835 /nfs/dbraw/zinc/34/78/35/262347835.db2.gz TVRRXQKQNQUWBP-JSGCOSHPSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419843323 262348997 /nfs/dbraw/zinc/34/89/97/262348997.db2.gz MNFNHVWSZRMSPY-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NCCC[NH2+]C2CC2)CCC1 ZINC000419850751 262349191 /nfs/dbraw/zinc/34/91/91/262349191.db2.gz HIZUKRXXWPRSPH-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CC1(N(C)C)CCC1)[C@H]1CCC[NH2+]C1 ZINC000419873641 262350868 /nfs/dbraw/zinc/35/08/68/262350868.db2.gz DIOYEKQHMIVWSG-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419959067 262353984 /nfs/dbraw/zinc/35/39/84/262353984.db2.gz CYJFNUVPCRPZHL-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419967456 262354599 /nfs/dbraw/zinc/35/45/99/262354599.db2.gz BDZGCUWVYOVBOX-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420071098 262358911 /nfs/dbraw/zinc/35/89/11/262358911.db2.gz XNEWPIRZDPYJSN-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420071098 262358912 /nfs/dbraw/zinc/35/89/12/262358912.db2.gz XNEWPIRZDPYJSN-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420096370 262360538 /nfs/dbraw/zinc/36/05/38/262360538.db2.gz ZPRMJVIYMHTFSU-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420096370 262360540 /nfs/dbraw/zinc/36/05/40/262360540.db2.gz ZPRMJVIYMHTFSU-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000420131843 262361926 /nfs/dbraw/zinc/36/19/26/262361926.db2.gz XONCFFSWBDIPHQ-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000420595015 262378300 /nfs/dbraw/zinc/37/83/00/262378300.db2.gz FHWILNDZXREDNO-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422109473 262396025 /nfs/dbraw/zinc/39/60/25/262396025.db2.gz VPBBEMDRNQSZEG-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422109471 262396145 /nfs/dbraw/zinc/39/61/45/262396145.db2.gz VPBBEMDRNQSZEG-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@@H]1CN ZINC000422974303 262425669 /nfs/dbraw/zinc/42/56/69/262425669.db2.gz QUWGJZZBUXSPEL-XSCHDIRWSA-N 1 3 324.469 0.561 20 0 DCADHO COC1(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000428866301 262595467 /nfs/dbraw/zinc/59/54/67/262595467.db2.gz JGMWTNQIMRXOEI-AWEZNQCLSA-N 1 3 313.442 0.359 20 0 DCADHO COC1(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000428866301 262595468 /nfs/dbraw/zinc/59/54/68/262595468.db2.gz JGMWTNQIMRXOEI-AWEZNQCLSA-N 1 3 313.442 0.359 20 0 DCADHO COC1(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000428866301 262595470 /nfs/dbraw/zinc/59/54/70/262595470.db2.gz JGMWTNQIMRXOEI-AWEZNQCLSA-N 1 3 313.442 0.359 20 0 DCADHO COCCCS(=O)(=O)NCCN1CCC2(CC[NH2+]C2)CC1 ZINC000431013394 262627903 /nfs/dbraw/zinc/62/79/03/262627903.db2.gz JEXIOXKWHCWPCE-UHFFFAOYSA-N 1 3 319.471 0.018 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000358662485 271064560 /nfs/dbraw/zinc/06/45/60/271064560.db2.gz MHKDCLLLGJUYNQ-KRWDZBQOSA-N 1 3 320.437 0.614 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)NCc1ccncc1OCCN(C)C ZINC000359658789 271139642 /nfs/dbraw/zinc/13/96/42/271139642.db2.gz NBWFBJBHCGCXOB-CYBMUJFWSA-N 1 3 323.441 0.771 20 0 DCADHO CSC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000363765539 271204142 /nfs/dbraw/zinc/20/41/42/271204142.db2.gz FBTUWGDOEXHCEQ-UKRRQHHQSA-N 1 3 301.500 0.811 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H](C)C[NH3+] ZINC000418469048 271247222 /nfs/dbraw/zinc/24/72/22/271247222.db2.gz AZZCRPRBOLKVLY-OAHLLOKOSA-N 1 3 313.490 0.640 20 0 DCADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418713294 271250757 /nfs/dbraw/zinc/25/07/57/271250757.db2.gz WHQIFOCPNBYOCH-KBPBESRZSA-N 1 3 300.447 0.506 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419026813 271266011 /nfs/dbraw/zinc/26/60/11/271266011.db2.gz NWMSJMGWVRRULQ-XJFOESAGSA-N 1 3 312.458 0.180 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419026811 271266429 /nfs/dbraw/zinc/26/64/29/271266429.db2.gz NWMSJMGWVRRULQ-IGQOVBAYSA-N 1 3 312.458 0.180 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419032502 271268077 /nfs/dbraw/zinc/26/80/77/271268077.db2.gz WVLOZFMFIDBYNC-CPUCHLNUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419032885 271269887 /nfs/dbraw/zinc/26/98/87/271269887.db2.gz XNZYGJMOEFKOMC-HZSPNIEDSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N1CCC(C)CC1 ZINC000419141141 271275362 /nfs/dbraw/zinc/27/53/62/271275362.db2.gz ARTWQAKFNHHDKQ-WMLDXEAASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000419247183 271278062 /nfs/dbraw/zinc/27/80/62/271278062.db2.gz WWBTVGHRIRDHRH-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C(=O)C(=O)NCCN1CCC[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000419403902 271288177 /nfs/dbraw/zinc/28/81/77/271288177.db2.gz FPMKAEFSBBCZTK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419403470 271288610 /nfs/dbraw/zinc/28/86/10/271288610.db2.gz DYFGAWXFJQAOGH-HUUCEWRRSA-N 1 3 324.469 0.468 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419432238 271289890 /nfs/dbraw/zinc/28/98/90/271289890.db2.gz YBGUIKZYXVGEGT-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C(=O)C(=O)NCCN(CC)C1CC1)C1CC[NH2+]CC1 ZINC000419520910 271296401 /nfs/dbraw/zinc/29/64/01/271296401.db2.gz ITRGTZOTZRSGKI-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000419520969 271296812 /nfs/dbraw/zinc/29/68/12/271296812.db2.gz JEHVWYHRJHKREQ-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000419524532 271297853 /nfs/dbraw/zinc/29/78/53/271297853.db2.gz PZOUNPSTENTXIH-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419523018 271298086 /nfs/dbraw/zinc/29/80/86/271298086.db2.gz NSDCOUIBXJWTPX-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419584531 271311833 /nfs/dbraw/zinc/31/18/33/271311833.db2.gz KWWSALPADCZWDU-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCCC[C@H]1CN)C[NH+]1CCCC1 ZINC000419667435 271319294 /nfs/dbraw/zinc/31/92/94/271319294.db2.gz SBZGYZNEWSVPTI-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N1CCCC[C@@H]1CN)[NH+]1CCCCC1 ZINC000419706604 271323718 /nfs/dbraw/zinc/32/37/18/271323718.db2.gz CSOXDOAZCSJODS-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)C[NH+]1CCCC1 ZINC000419815211 271328128 /nfs/dbraw/zinc/32/81/28/271328128.db2.gz HPYVOOIVQYUQKO-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419857321 271333874 /nfs/dbraw/zinc/33/38/74/271333874.db2.gz KAFOABBARKJGOQ-GJZGRUSLSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000419946974 271348252 /nfs/dbraw/zinc/34/82/52/271348252.db2.gz BWBXUXGSQMOGCB-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000419946974 271348257 /nfs/dbraw/zinc/34/82/57/271348257.db2.gz BWBXUXGSQMOGCB-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO CC(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)S(C)(=O)=O ZINC000424046610 271395391 /nfs/dbraw/zinc/39/53/91/271395391.db2.gz SGICNQMOTRSUON-LHALRJPCSA-N 1 3 314.451 0.689 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000447433668 271787888 /nfs/dbraw/zinc/78/78/88/271787888.db2.gz BYHCWSMKGPCXTR-AWEZNQCLSA-N 1 3 301.431 0.356 20 0 DCADHO CN1CCN(CC2(C)CCN(C(=O)/C=C\C[NH+](C)C)CC2)CC1 ZINC000492555697 272135399 /nfs/dbraw/zinc/13/53/99/272135399.db2.gz XECJMTQOPCVERC-WAYWQWQTSA-N 1 3 322.497 0.980 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494682761 272228022 /nfs/dbraw/zinc/22/80/22/272228022.db2.gz RUFFGNKWMYQXPP-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCOC(=O)C1([C@H](C)NC2CN(C(=O)OC)C2)CC[NH2+]CC1 ZINC000496108009 272293206 /nfs/dbraw/zinc/29/32/06/272293206.db2.gz SQEIZWCUOPOKMD-NSHDSACASA-N 1 3 313.398 0.348 20 0 DCADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC000531832235 272771524 /nfs/dbraw/zinc/77/15/24/272771524.db2.gz DVUWOXURLJWTPQ-HOTGVXAUSA-N 1 3 308.470 0.708 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410474802 279038014 /nfs/dbraw/zinc/03/80/14/279038014.db2.gz YGDGUXIPPACMJX-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410474802 279038015 /nfs/dbraw/zinc/03/80/15/279038015.db2.gz YGDGUXIPPACMJX-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000548001037 288100638 /nfs/dbraw/zinc/10/06/38/288100638.db2.gz GKWPFUSQVOYBHI-CABCVRRESA-N 1 3 314.474 0.672 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000419501395 279191469 /nfs/dbraw/zinc/19/14/69/279191469.db2.gz BGHLILRIPVFXPX-INIZCTEOSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000331377098 288114946 /nfs/dbraw/zinc/11/49/46/288114946.db2.gz HIRNWHLRZFAJBN-YUELXQCFSA-N 1 3 322.453 0.138 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC1=O ZINC000247297805 279303529 /nfs/dbraw/zinc/30/35/29/279303529.db2.gz OMBLUNXDLHNSSQ-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552028120 288261015 /nfs/dbraw/zinc/26/10/15/288261015.db2.gz JIIVDHWNCSSANF-DOTOQJQBSA-N 1 3 309.454 0.824 20 0 DCADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552028120 288261017 /nfs/dbraw/zinc/26/10/17/288261017.db2.gz JIIVDHWNCSSANF-DOTOQJQBSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C1CC1 ZINC000343289729 289086609 /nfs/dbraw/zinc/08/66/09/289086609.db2.gz TZXPEVQGNQPQSC-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000423585760 289107561 /nfs/dbraw/zinc/10/75/61/289107561.db2.gz AJRVCSKZSPDPIT-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CCCC1 ZINC000414740527 289136311 /nfs/dbraw/zinc/13/63/11/289136311.db2.gz RFVIUBUCCJMBIC-HNNXBMFYSA-N 1 3 310.486 0.990 20 0 DCADHO CN(C)CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CCCC1 ZINC000414740527 289136312 /nfs/dbraw/zinc/13/63/12/289136312.db2.gz RFVIUBUCCJMBIC-HNNXBMFYSA-N 1 3 310.486 0.990 20 0 DCADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333839659 290173927 /nfs/dbraw/zinc/17/39/27/290173927.db2.gz OBGWHAJFWCYBFR-SOUVJXGZSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000237400159 296994014 /nfs/dbraw/zinc/99/40/14/296994014.db2.gz APSWHEJTDWLAAS-FMKPAKJESA-N 1 3 309.454 0.944 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332615467 295301438 /nfs/dbraw/zinc/30/14/38/295301438.db2.gz BFQZUAXXYONBTQ-KGLIPLIRSA-N 1 3 308.426 0.023 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000570512903 332766880 /nfs/dbraw/zinc/76/68/80/332766880.db2.gz SCRDTLOJFFWILC-UHFFFAOYSA-N 1 3 310.446 0.677 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001579026482 1159271094 /nfs/dbraw/zinc/27/10/94/1159271094.db2.gz WMUCQZKXECGGHI-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415465247 533867361 /nfs/dbraw/zinc/86/73/61/533867361.db2.gz OTJGRNYGJFZLEB-UHFFFAOYSA-N 1 3 306.410 0.849 20 0 DCADHO CC[NH+](CC)CCOc1ccc(CNC(=O)CN)cc1OC ZINC000236870728 520698610 /nfs/dbraw/zinc/69/86/10/520698610.db2.gz WXVKERDTYZDLQM-UHFFFAOYSA-N 1 3 309.410 0.991 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262782666 522095171 /nfs/dbraw/zinc/09/51/71/522095171.db2.gz NMFYGFXVSNXIOO-KGLIPLIRSA-N 1 3 305.426 0.974 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C3(O)CCCC3)CC2)CC1 ZINC000365081244 523766777 /nfs/dbraw/zinc/76/67/77/523766777.db2.gz BNHKYLNBTAISOM-UHFFFAOYSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@H](C(=O)NCCCN1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000237568624 526047353 /nfs/dbraw/zinc/04/73/53/526047353.db2.gz PUYUBWWHLJCPSX-HOCLYGCPSA-N 1 3 304.438 0.734 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410889500 528892403 /nfs/dbraw/zinc/89/24/03/528892403.db2.gz YZGQCKLYKACMKO-KRWDZBQOSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410889500 528892410 /nfs/dbraw/zinc/89/24/10/528892410.db2.gz YZGQCKLYKACMKO-KRWDZBQOSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC2(CN1CC(=O)NCC(=O)N1CCCC1)CC[NH2+]CC2 ZINC000333610863 546086357 /nfs/dbraw/zinc/08/63/57/546086357.db2.gz RYDKHGOWTWMQAJ-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H](O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665761052 546395742 /nfs/dbraw/zinc/39/57/42/546395742.db2.gz VUPBZEVFNNOXNT-RRFJBIMHSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](O)[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665761052 546395748 /nfs/dbraw/zinc/39/57/48/546395748.db2.gz VUPBZEVFNNOXNT-RRFJBIMHSA-N 1 3 314.474 0.671 20 0 DCADHO CC(=O)NCCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763694 546397353 /nfs/dbraw/zinc/39/73/53/546397353.db2.gz JFOHTECOUULGMR-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO CC(=O)NCCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763694 546397357 /nfs/dbraw/zinc/39/73/57/546397357.db2.gz JFOHTECOUULGMR-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000666756390 546504475 /nfs/dbraw/zinc/50/44/75/546504475.db2.gz JOXUJMDNQFNTRV-ZBFHGGJFSA-N 1 3 314.474 0.719 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000666922664 546528630 /nfs/dbraw/zinc/52/86/30/546528630.db2.gz VLWBMIWCWLHQSA-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000666922664 546528633 /nfs/dbraw/zinc/52/86/33/546528633.db2.gz VLWBMIWCWLHQSA-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667792344 546654433 /nfs/dbraw/zinc/65/44/33/546654433.db2.gz WOTNNAVEQQRUSC-UHFFFAOYSA-N 1 3 321.425 0.817 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667792344 546654437 /nfs/dbraw/zinc/65/44/37/546654437.db2.gz WOTNNAVEQQRUSC-UHFFFAOYSA-N 1 3 321.425 0.817 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668670858 546817556 /nfs/dbraw/zinc/81/75/56/546817556.db2.gz SDPOOZPQGZWCTQ-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000668683496 546823061 /nfs/dbraw/zinc/82/30/61/546823061.db2.gz XCSBBKYUWDOMKI-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000668752390 546839417 /nfs/dbraw/zinc/83/94/17/546839417.db2.gz KVSMEQUQCWWIMZ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)C1 ZINC000668777683 546844358 /nfs/dbraw/zinc/84/43/58/546844358.db2.gz UQRAKVSQNLLPFI-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000668777683 546844366 /nfs/dbraw/zinc/84/43/66/546844366.db2.gz UQRAKVSQNLLPFI-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000668933611 546885672 /nfs/dbraw/zinc/88/56/72/546885672.db2.gz IPUHOZUXICEKHR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@]1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCC[NH2+]1 ZINC000669490821 546978173 /nfs/dbraw/zinc/97/81/73/546978173.db2.gz ARQJWZAUUGPKRY-GDBMZVCRSA-N 1 3 310.442 0.539 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669500097 546981377 /nfs/dbraw/zinc/98/13/77/546981377.db2.gz PCVXIQGTDXPTTQ-AWEZNQCLSA-N 1 3 311.474 0.311 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CCC[NH2+]CC2)CCSC1 ZINC000669514888 546982552 /nfs/dbraw/zinc/98/25/52/546982552.db2.gz OXXUOPKBLCHUFW-TZMCWYRMSA-N 1 3 300.472 0.865 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CCC(C)([NH3+])CC2)CCSC1 ZINC000669514968 546984000 /nfs/dbraw/zinc/98/40/00/546984000.db2.gz XWNSAGAZRLNORF-AWEZNQCLSA-N 1 3 300.472 0.947 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000669529292 546985968 /nfs/dbraw/zinc/98/59/68/546985968.db2.gz LCLLREAUFGYJER-HOCLYGCPSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000669570936 546992951 /nfs/dbraw/zinc/99/29/51/546992951.db2.gz UNFKYPHERNVPGA-QXSJWSMHSA-N 1 3 324.469 0.866 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670471614 547101341 /nfs/dbraw/zinc/10/13/41/547101341.db2.gz WQYBSGQMGVDNOT-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000670473217 547101562 /nfs/dbraw/zinc/10/15/62/547101562.db2.gz RAZZDDPWDBEUIO-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000670545839 547114763 /nfs/dbraw/zinc/11/47/63/547114763.db2.gz WKAUKOIWGLMASX-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCOCCN(C)C)C1 ZINC000682614785 548410893 /nfs/dbraw/zinc/41/08/93/548410893.db2.gz UZHRFXWYRPYSGT-CQSZACIVSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](O)CN(C)C1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684201121 548581998 /nfs/dbraw/zinc/58/19/98/548581998.db2.gz VAUSBYQHZNNOSN-ZIAGYGMSSA-N 1 3 307.442 0.702 20 0 DCADHO C[C@](O)(CO)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684536386 548620355 /nfs/dbraw/zinc/62/03/55/548620355.db2.gz CQPATICPOURJHA-QGZVFWFLSA-N 1 3 308.422 0.994 20 0 DCADHO C[N@H+](C[C@@H](O)CN1CCCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000685561345 548723036 /nfs/dbraw/zinc/72/30/36/548723036.db2.gz WZJLLAHVJABXAN-IAGOWNOFSA-N 1 3 311.470 0.628 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1CCCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000685561345 548723040 /nfs/dbraw/zinc/72/30/40/548723040.db2.gz WZJLLAHVJABXAN-IAGOWNOFSA-N 1 3 311.470 0.628 20 0 DCADHO CCCCCN1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001674047300 1175247515 /nfs/dbraw/zinc/24/75/15/1175247515.db2.gz KSQWIXFBQUITQI-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccnc4)C[C@H]32)C1 ZINC000979046503 660653835 /nfs/dbraw/zinc/65/38/35/660653835.db2.gz BNHFCNMSADFSMG-VQHPVUNQSA-N 1 3 314.433 0.827 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccnc4)C[C@H]32)C1 ZINC000979046503 660653837 /nfs/dbraw/zinc/65/38/37/660653837.db2.gz BNHFCNMSADFSMG-VQHPVUNQSA-N 1 3 314.433 0.827 20 0 DCADHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000925777889 660991060 /nfs/dbraw/zinc/99/10/60/660991060.db2.gz HWJFBGOOTYQRSH-RQJABVFESA-N 1 3 303.397 0.978 20 0 DCADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCCO)C2)C1CC1 ZINC000981812047 661222556 /nfs/dbraw/zinc/22/25/56/661222556.db2.gz FRDCHHVLFOFHDL-HNNXBMFYSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2)C1CC1 ZINC000981812047 661222557 /nfs/dbraw/zinc/22/25/57/661222557.db2.gz FRDCHHVLFOFHDL-HNNXBMFYSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCO)C2)N(C)C ZINC000981825811 661226071 /nfs/dbraw/zinc/22/60/71/661226071.db2.gz PJLPFYJDFJAOPR-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2)N(C)C ZINC000981825811 661226074 /nfs/dbraw/zinc/22/60/74/661226074.db2.gz PJLPFYJDFJAOPR-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H]1[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000921668861 665477305 /nfs/dbraw/zinc/47/73/05/665477305.db2.gz YFSDGAJPXHBIMJ-DZGCQCFKSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@H]1[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000921668864 665477310 /nfs/dbraw/zinc/47/73/10/665477310.db2.gz YFSDGAJPXHBIMJ-ZFWWWQNUSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000921668863 665477474 /nfs/dbraw/zinc/47/74/74/665477474.db2.gz YFSDGAJPXHBIMJ-UKRRQHHQSA-N 1 3 311.474 0.404 20 0 DCADHO CCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000891604458 657515756 /nfs/dbraw/zinc/51/57/56/657515756.db2.gz YNTWQOSLTRKPPH-HUUCEWRRSA-N 1 3 311.474 0.263 20 0 DCADHO Cc1nc([C@H](C)N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC000970494413 657572880 /nfs/dbraw/zinc/57/28/80/657572880.db2.gz QHIFRZYWZJVBEL-WCQYABFASA-N 1 3 318.425 0.460 20 0 DCADHO COCCN1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970557824 657627528 /nfs/dbraw/zinc/62/75/28/657627528.db2.gz NFSKOCUHWILJKQ-CYBMUJFWSA-N 1 3 323.441 0.141 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001021380863 657704398 /nfs/dbraw/zinc/70/43/98/657704398.db2.gz YTBRYJIBOYDPQC-HNSVSWJLSA-N 1 3 309.454 0.965 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001021380863 657704407 /nfs/dbraw/zinc/70/44/07/657704407.db2.gz YTBRYJIBOYDPQC-HNSVSWJLSA-N 1 3 309.454 0.965 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC000971801974 657715836 /nfs/dbraw/zinc/71/58/36/657715836.db2.gz XCHWUQCRQSSDGJ-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971801974 657715840 /nfs/dbraw/zinc/71/58/40/657715840.db2.gz XCHWUQCRQSSDGJ-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO COc1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC000970711288 657813328 /nfs/dbraw/zinc/81/33/28/657813328.db2.gz DMNYFFOLCRTYGZ-HUUCEWRRSA-N 1 3 318.421 0.732 20 0 DCADHO COc1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC000970711288 657813333 /nfs/dbraw/zinc/81/33/33/657813333.db2.gz DMNYFFOLCRTYGZ-HUUCEWRRSA-N 1 3 318.421 0.732 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC001020541985 657894364 /nfs/dbraw/zinc/89/43/64/657894364.db2.gz UVLNGENUAMVSBH-SHTZXODSSA-N 1 3 317.437 0.864 20 0 DCADHO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022455665 657938175 /nfs/dbraw/zinc/93/81/75/657938175.db2.gz XOYCVESGEFQXBK-HJTLVLNNSA-N 1 3 307.438 0.742 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000969559337 657975901 /nfs/dbraw/zinc/97/59/01/657975901.db2.gz BRDZGWFRJHDVPQ-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)CC1 ZINC000891968825 658019574 /nfs/dbraw/zinc/01/95/74/658019574.db2.gz YJKMEVHTOYSSPX-UHFFFAOYSA-N 1 3 323.485 0.550 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000891970019 658021778 /nfs/dbraw/zinc/02/17/78/658021778.db2.gz BJFUOLMUQHLRGK-HNNXBMFYSA-N 1 3 323.485 0.550 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1Cc2ccccc2CN1 ZINC000892001954 658095921 /nfs/dbraw/zinc/09/59/21/658095921.db2.gz YILSRWNUAKSUOY-BBRMVZONSA-N 1 3 302.422 1.000 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586096 658155593 /nfs/dbraw/zinc/15/55/93/658155593.db2.gz FFYGGSIPZIZAQC-RCBQFDQVSA-N 1 3 319.453 0.950 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)C1 ZINC001020588902 658159831 /nfs/dbraw/zinc/15/98/31/658159831.db2.gz PYYHVRLKNYEUTD-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H](C)C2CN(CCCO)C2)C1 ZINC000969833689 658190310 /nfs/dbraw/zinc/19/03/10/658190310.db2.gz QYIBRHPCWZGGLB-GJZGRUSLSA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H](C)C2CN(CCCO)C2)C1 ZINC000969833689 658190313 /nfs/dbraw/zinc/19/03/13/658190313.db2.gz QYIBRHPCWZGGLB-GJZGRUSLSA-N 1 3 311.470 0.783 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000969949790 658285099 /nfs/dbraw/zinc/28/50/99/658285099.db2.gz XLMXNSIKLDLFEH-UONOGXRCSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000969949790 658285105 /nfs/dbraw/zinc/28/51/05/658285105.db2.gz XLMXNSIKLDLFEH-UONOGXRCSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@H]1CNCCO1 ZINC000892187811 658288911 /nfs/dbraw/zinc/28/89/11/658288911.db2.gz CYOCAIOEBZSAKO-DZGCQCFKSA-N 1 3 319.409 0.290 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC000969954954 658290559 /nfs/dbraw/zinc/29/05/59/658290559.db2.gz ILXPODNYBADPQA-HUUCEWRRSA-N 1 3 305.426 0.415 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001023888668 658295606 /nfs/dbraw/zinc/29/56/06/658295606.db2.gz ALCSDFAHQSBEGA-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC000969968670 658302199 /nfs/dbraw/zinc/30/21/99/658302199.db2.gz VDISYAOCNHXASM-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC000969967553 658307180 /nfs/dbraw/zinc/30/71/80/658307180.db2.gz FOJWBBTUUNWAFG-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC000969985651 658324871 /nfs/dbraw/zinc/32/48/71/658324871.db2.gz LCABXPJJTKRFKM-ILXRZTDVSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001022712460 658357357 /nfs/dbraw/zinc/35/73/57/658357357.db2.gz QWDYOWUKAGUZGV-KFWWJZLASA-N 1 3 319.453 0.684 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022712810 658358722 /nfs/dbraw/zinc/35/87/22/658358722.db2.gz AIQWRVMDOOCVSH-YUELXQCFSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001022712810 658358729 /nfs/dbraw/zinc/35/87/29/658358729.db2.gz AIQWRVMDOOCVSH-YUELXQCFSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001022714039 658362073 /nfs/dbraw/zinc/36/20/73/658362073.db2.gz PMBORJGIJQDPIL-SOUVJXGZSA-N 1 3 305.426 0.462 20 0 DCADHO CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001024070612 658420010 /nfs/dbraw/zinc/42/00/10/658420010.db2.gz UFFGZTDPXJRPJS-HCEZTOJASA-N 1 3 307.438 0.698 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000970102586 658461016 /nfs/dbraw/zinc/46/10/16/658461016.db2.gz BLSINEAYYMMWTA-CQSZACIVSA-N 1 3 306.410 0.959 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1)N(C)C ZINC000972353930 658606220 /nfs/dbraw/zinc/60/62/20/658606220.db2.gz JNEKSLJJSOADTB-GJZGRUSLSA-N 1 3 307.442 0.756 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1)N(C)C ZINC000972353930 658606222 /nfs/dbraw/zinc/60/62/22/658606222.db2.gz JNEKSLJJSOADTB-GJZGRUSLSA-N 1 3 307.442 0.756 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001022082153 658839323 /nfs/dbraw/zinc/83/93/23/658839323.db2.gz XCYSHGPZLGTHFB-MJBXVCDLSA-N 1 3 324.469 0.752 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)CC1 ZINC000970336987 658869300 /nfs/dbraw/zinc/86/93/00/658869300.db2.gz IRXHGBJTVOJHQU-OAHLLOKOSA-N 1 3 320.441 0.201 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001022977086 658887559 /nfs/dbraw/zinc/88/75/59/658887559.db2.gz UQBZEXNHJJMHRY-SOUVJXGZSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001022977086 658887567 /nfs/dbraw/zinc/88/75/67/658887567.db2.gz UQBZEXNHJJMHRY-SOUVJXGZSA-N 1 3 317.437 0.864 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)C1CC(NCc2cnnn2C)C1 ZINC000999341858 665632662 /nfs/dbraw/zinc/63/26/62/665632662.db2.gz ITABLAHQCKARIL-UHFFFAOYSA-N 1 3 320.441 0.236 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027170880 659056639 /nfs/dbraw/zinc/05/66/39/659056639.db2.gz PYKWTZBNQBGCCL-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027170880 659056646 /nfs/dbraw/zinc/05/66/46/659056646.db2.gz PYKWTZBNQBGCCL-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC000999475626 665649498 /nfs/dbraw/zinc/64/94/98/665649498.db2.gz ZYGOOKSZJKAHSA-UHFFFAOYSA-N 1 3 319.409 0.154 20 0 DCADHO CC1(C)[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925601721 659320963 /nfs/dbraw/zinc/32/09/63/659320963.db2.gz NGPOWBNEYLFDNA-HZSPNIEDSA-N 1 3 315.483 0.777 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892791086 659456368 /nfs/dbraw/zinc/45/63/68/659456368.db2.gz KCYFMIYEICHFIE-INIZCTEOSA-N 1 3 320.437 0.578 20 0 DCADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892819232 659471503 /nfs/dbraw/zinc/47/15/03/659471503.db2.gz PHLFJNKRGZJPHQ-CABCVRRESA-N 1 3 324.469 0.881 20 0 DCADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892819232 659471505 /nfs/dbraw/zinc/47/15/05/659471505.db2.gz PHLFJNKRGZJPHQ-CABCVRRESA-N 1 3 324.469 0.881 20 0 DCADHO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001026733055 659489911 /nfs/dbraw/zinc/48/99/11/659489911.db2.gz HHWBRDLDAAPDDK-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734661 659492614 /nfs/dbraw/zinc/49/26/14/659492614.db2.gz RBTWWIYHQNDNHK-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999760387 665680682 /nfs/dbraw/zinc/68/06/82/665680682.db2.gz GKDCWLBFQLJEFA-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CC1(C)CN(CCCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000974575280 659578411 /nfs/dbraw/zinc/57/84/11/659578411.db2.gz DGGPIUDTTGEMJH-HUUCEWRRSA-N 1 3 309.454 0.537 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001026852096 659608351 /nfs/dbraw/zinc/60/83/51/659608351.db2.gz JRSFGDCLQVYNIW-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3ccn(C)n3)C2)CC[N@H+]1C ZINC001026852096 659608355 /nfs/dbraw/zinc/60/83/55/659608355.db2.gz JRSFGDCLQVYNIW-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO COc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001019771773 659610124 /nfs/dbraw/zinc/61/01/24/659610124.db2.gz ZKGCNFPDLMRFSW-CABCVRRESA-N 1 3 318.421 0.732 20 0 DCADHO COc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001019771773 659610128 /nfs/dbraw/zinc/61/01/28/659610128.db2.gz ZKGCNFPDLMRFSW-CABCVRRESA-N 1 3 318.421 0.732 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001026884662 659623417 /nfs/dbraw/zinc/62/34/17/659623417.db2.gz BBABQMWERYROKF-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CCN1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977303401 659636867 /nfs/dbraw/zinc/63/68/67/659636867.db2.gz MTBZUTCUXLBWDF-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC001026921175 659639390 /nfs/dbraw/zinc/63/93/90/659639390.db2.gz NVSBNWKKDSFBPM-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001026916437 659641644 /nfs/dbraw/zinc/64/16/44/659641644.db2.gz IGHVWPKJJYUEES-UKRRQHHQSA-N 1 3 322.457 0.576 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999857967 665693723 /nfs/dbraw/zinc/69/37/23/665693723.db2.gz NBZKJPCOAAADDP-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999857967 665693724 /nfs/dbraw/zinc/69/37/24/665693724.db2.gz NBZKJPCOAAADDP-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893019045 659678904 /nfs/dbraw/zinc/67/89/04/659678904.db2.gz IZMZTEIPQHRNCD-BMFZPTHFSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893019045 659678906 /nfs/dbraw/zinc/67/89/06/659678906.db2.gz IZMZTEIPQHRNCD-BMFZPTHFSA-N 1 3 322.453 0.464 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001026043853 659759758 /nfs/dbraw/zinc/75/97/58/659759758.db2.gz GQOZBNBZZHPOIZ-ZVDSWSACSA-N 1 3 317.437 0.127 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001026043853 659759763 /nfs/dbraw/zinc/75/97/63/659759763.db2.gz GQOZBNBZZHPOIZ-ZVDSWSACSA-N 1 3 317.437 0.127 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027064883 659762576 /nfs/dbraw/zinc/76/25/76/659762576.db2.gz MHDBKXFPOPDZFG-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027064883 659762578 /nfs/dbraw/zinc/76/25/78/659762578.db2.gz MHDBKXFPOPDZFG-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccnn3C)C2)C1 ZINC001027064548 659762680 /nfs/dbraw/zinc/76/26/80/659762680.db2.gz GSPZDDQWXKXEFZ-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001000111615 665742157 /nfs/dbraw/zinc/74/21/57/665742157.db2.gz KEQIJRKAXUICSK-LSDHHAIUSA-N 1 3 322.457 0.445 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2CC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001032733892 665752513 /nfs/dbraw/zinc/75/25/13/665752513.db2.gz LSOABYZLCSGFGC-HOTGVXAUSA-N 1 3 319.449 0.794 20 0 DCADHO COCCN(C)CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727086482 662134603 /nfs/dbraw/zinc/13/46/03/662134603.db2.gz HKEFVKJGLAKYFW-UHFFFAOYSA-N 1 3 304.504 0.617 20 0 DCADHO O=C(NC[C@H]1CCN1C[C@@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001038454656 662349802 /nfs/dbraw/zinc/34/98/02/662349802.db2.gz NNAMJMPGPIZFSA-LSDHHAIUSA-N 1 3 307.438 0.842 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000985037439 662358299 /nfs/dbraw/zinc/35/82/99/662358299.db2.gz HIHVZXBIZZTHOM-HDJSIYSDSA-N 1 3 317.437 0.500 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1C ZINC000985119634 662368773 /nfs/dbraw/zinc/36/87/73/662368773.db2.gz LBBVDQLFFMKLNX-KKUMJFAQSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1C ZINC000985119634 662368774 /nfs/dbraw/zinc/36/87/74/662368774.db2.gz LBBVDQLFFMKLNX-KKUMJFAQSA-N 1 3 319.453 0.665 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646691 662495365 /nfs/dbraw/zinc/49/53/65/662495365.db2.gz KAUMGBSFGXCGAU-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646691 662495366 /nfs/dbraw/zinc/49/53/66/662495366.db2.gz KAUMGBSFGXCGAU-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000985648699 662495938 /nfs/dbraw/zinc/49/59/38/662495938.db2.gz XVDFOQDFLWNGJR-UHFFFAOYSA-N 1 3 310.442 0.126 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000985648699 662495939 /nfs/dbraw/zinc/49/59/39/662495939.db2.gz XVDFOQDFLWNGJR-UHFFFAOYSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985685799 662500436 /nfs/dbraw/zinc/50/04/36/662500436.db2.gz IXAXKECWHISZTL-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](C)C(N)=O)CC1 ZINC000985803681 662515285 /nfs/dbraw/zinc/51/52/85/662515285.db2.gz IJKLBYHSWZGAQX-HIFRSBDPSA-N 1 3 324.469 0.657 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC000985803681 662515286 /nfs/dbraw/zinc/51/52/86/662515286.db2.gz IJKLBYHSWZGAQX-HIFRSBDPSA-N 1 3 324.469 0.657 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029902292 662552395 /nfs/dbraw/zinc/55/23/95/662552395.db2.gz OWUYWTCXHWNQGH-GOEBONIOSA-N 1 3 319.453 0.652 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029902292 662552396 /nfs/dbraw/zinc/55/23/96/662552396.db2.gz OWUYWTCXHWNQGH-GOEBONIOSA-N 1 3 319.453 0.652 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001000548208 665879676 /nfs/dbraw/zinc/87/96/76/665879676.db2.gz ULRZSQFSPPCUJS-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN(C)C1CCC1 ZINC000986352140 662585181 /nfs/dbraw/zinc/58/51/81/662585181.db2.gz GBSRFWQZBLEOIA-UKRRQHHQSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H]1[C@@H](NCCF)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987278140 662665500 /nfs/dbraw/zinc/66/55/00/662665500.db2.gz IGOLODLVGRANQS-JSGCOSHPSA-N 1 3 301.406 0.646 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000897472199 662769224 /nfs/dbraw/zinc/76/92/24/662769224.db2.gz QFTASMFSOUPICF-OAGGEKHMSA-N 1 3 324.469 0.569 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000897472199 662769227 /nfs/dbraw/zinc/76/92/27/662769227.db2.gz QFTASMFSOUPICF-OAGGEKHMSA-N 1 3 324.469 0.569 20 0 DCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000897509477 662796977 /nfs/dbraw/zinc/79/69/77/662796977.db2.gz ZUZLEUOPKZJVST-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000897509477 662796978 /nfs/dbraw/zinc/79/69/78/662796978.db2.gz ZUZLEUOPKZJVST-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000897509479 662797075 /nfs/dbraw/zinc/79/70/75/662797075.db2.gz ZUZLEUOPKZJVST-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000897509479 662797077 /nfs/dbraw/zinc/79/70/77/662797077.db2.gz ZUZLEUOPKZJVST-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000729620385 662905915 /nfs/dbraw/zinc/90/59/15/662905915.db2.gz QVXPAZFNEXIBAC-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000729620385 662905916 /nfs/dbraw/zinc/90/59/16/662905916.db2.gz QVXPAZFNEXIBAC-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCc2ccnn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000989492256 662953605 /nfs/dbraw/zinc/95/36/05/662953605.db2.gz LWKLFMQHKYYQFQ-JSGCOSHPSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cncn2C)CN1C(=O)CN1CCCC1 ZINC000989800966 662978367 /nfs/dbraw/zinc/97/83/67/662978367.db2.gz WIPJOOWPVQWWNA-KBPBESRZSA-N 1 3 305.426 0.595 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000990243628 663022995 /nfs/dbraw/zinc/02/29/95/663022995.db2.gz HFABBIRTXQVRMZ-HNNXBMFYSA-N 1 3 305.426 0.558 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000899247412 663133566 /nfs/dbraw/zinc/13/35/66/663133566.db2.gz OTQJNTSFBVRIIJ-BBRMVZONSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000899247412 663133568 /nfs/dbraw/zinc/13/35/68/663133568.db2.gz OTQJNTSFBVRIIJ-BBRMVZONSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000899991779 663207887 /nfs/dbraw/zinc/20/78/87/663207887.db2.gz ZLZBQNVICQYDOT-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000899991779 663207890 /nfs/dbraw/zinc/20/78/90/663207890.db2.gz ZLZBQNVICQYDOT-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CC[NH+]1CCC(CNC(=O)c2ccnn2CCN(C)C)CC1 ZINC000900354571 663236509 /nfs/dbraw/zinc/23/65/09/663236509.db2.gz GWRIVZVAXYGTSQ-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccnn2CCN(C)C)CC[N@@H+]1C ZINC000900823144 663285236 /nfs/dbraw/zinc/28/52/36/663285236.db2.gz HJKFWWQCSUUFGQ-ZIAGYGMSSA-N 1 3 307.442 0.999 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccnn2CCN(C)C)CC[N@H+]1C ZINC000900823144 663285238 /nfs/dbraw/zinc/28/52/38/663285238.db2.gz HJKFWWQCSUUFGQ-ZIAGYGMSSA-N 1 3 307.442 0.999 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000903469935 663455982 /nfs/dbraw/zinc/45/59/82/663455982.db2.gz DIDVQOBWLWMEMY-STQMWFEESA-N 1 3 301.456 0.532 20 0 DCADHO C[C@H](CN1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506931 663457003 /nfs/dbraw/zinc/45/70/03/663457003.db2.gz GBYDYODDIOHKFG-NXHRZFHOSA-N 1 3 322.497 0.608 20 0 DCADHO C[C@H](CN1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506931 663457004 /nfs/dbraw/zinc/45/70/04/663457004.db2.gz GBYDYODDIOHKFG-NXHRZFHOSA-N 1 3 322.497 0.608 20 0 DCADHO COC(=O)NC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769515 663481258 /nfs/dbraw/zinc/48/12/58/663481258.db2.gz ICWVJIGMLLIISH-CQSZACIVSA-N 1 3 311.426 0.966 20 0 DCADHO CNC(=O)NC[C@@H]1CCCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903777694 663483820 /nfs/dbraw/zinc/48/38/20/663483820.db2.gz CKRQFACSBXJRGT-GJZGRUSLSA-N 1 3 324.469 0.929 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C(C)C ZINC000903809347 663486488 /nfs/dbraw/zinc/48/64/88/663486488.db2.gz QWBJMHJOJCDORB-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCNCCC12CCOCC2 ZINC000903820117 663487440 /nfs/dbraw/zinc/48/74/40/663487440.db2.gz URLSTQUGRJFMGD-GJZGRUSLSA-N 1 3 316.442 0.243 20 0 DCADHO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCNCCC12CCOCC2 ZINC000903820117 663487441 /nfs/dbraw/zinc/48/74/41/663487441.db2.gz URLSTQUGRJFMGD-GJZGRUSLSA-N 1 3 316.442 0.243 20 0 DCADHO CC(=O)NCC1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903885957 663492589 /nfs/dbraw/zinc/49/25/89/663492589.db2.gz MMBNZEOYZSXKTL-MRXNPFEDSA-N 1 3 321.469 0.694 20 0 DCADHO COC(=O)C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1C ZINC000903986430 663500011 /nfs/dbraw/zinc/50/00/11/663500011.db2.gz JPHBYUHKUMDCFC-HZSPNIEDSA-N 1 3 311.426 0.315 20 0 DCADHO COC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@H]1C ZINC000903986430 663500013 /nfs/dbraw/zinc/50/00/13/663500013.db2.gz JPHBYUHKUMDCFC-HZSPNIEDSA-N 1 3 311.426 0.315 20 0 DCADHO CN(C)[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)c1cccs1 ZINC000905204344 663540508 /nfs/dbraw/zinc/54/05/08/663540508.db2.gz VAFRGVCCRHVIBW-CQSZACIVSA-N 1 3 324.494 0.960 20 0 DCADHO CN(C)[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)c1cccs1 ZINC000905204344 663540509 /nfs/dbraw/zinc/54/05/09/663540509.db2.gz VAFRGVCCRHVIBW-CQSZACIVSA-N 1 3 324.494 0.960 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]1CN1CCCC1 ZINC000905334855 663549748 /nfs/dbraw/zinc/54/97/48/663549748.db2.gz JNTYGPXXTLTHIP-HNNXBMFYSA-N 1 3 315.483 0.876 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC000911054806 663973074 /nfs/dbraw/zinc/97/30/74/663973074.db2.gz LDSVRVYSWDJQAB-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CCC(C)CC1 ZINC000911090684 663980424 /nfs/dbraw/zinc/98/04/24/663980424.db2.gz JHQANTCLOSBYDI-ZIAGYGMSSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000911091155 663980674 /nfs/dbraw/zinc/98/06/74/663980674.db2.gz OVKKKLYNADNMMI-KFWWJZLASA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911160975 663995209 /nfs/dbraw/zinc/99/52/09/663995209.db2.gz IAQQTXROFGMRSU-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)NCCN1CCC[C@@H](C)C1)C(C)C ZINC000911160363 663995234 /nfs/dbraw/zinc/99/52/34/663995234.db2.gz CCTKCORSAYYYQF-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911161274 663995459 /nfs/dbraw/zinc/99/54/59/663995459.db2.gz KOKCMUBPCQLICO-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911222503 664007999 /nfs/dbraw/zinc/00/79/99/664007999.db2.gz FLLQJYZHHCCMQJ-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000911275279 664014774 /nfs/dbraw/zinc/01/47/74/664014774.db2.gz LLNXNYAEXRQMGK-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000911275754 664015120 /nfs/dbraw/zinc/01/51/20/664015120.db2.gz OPPRSEVUTXEZBM-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911257633 664016806 /nfs/dbraw/zinc/01/68/06/664016806.db2.gz JJBKLSUKGOBUCF-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000911324711 664028228 /nfs/dbraw/zinc/02/82/28/664028228.db2.gz JWRXDQJCUYWRLS-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911331070 664029616 /nfs/dbraw/zinc/02/96/16/664029616.db2.gz JZBNRIGAQIOMLQ-RBSFLKMASA-N 1 3 324.469 0.276 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000911373621 664044871 /nfs/dbraw/zinc/04/48/71/664044871.db2.gz HRNQOYGNIHMCJN-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)[C@@H]1C[NH3+] ZINC000911529252 664068619 /nfs/dbraw/zinc/06/86/19/664068619.db2.gz BHRODJBRBNMAMQ-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911529693 664069324 /nfs/dbraw/zinc/06/93/24/664069324.db2.gz FWHQFOHYOQEOHV-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911543447 664075615 /nfs/dbraw/zinc/07/56/15/664075615.db2.gz XBXAVNMAMQHITN-XPABHHOTSA-N 1 3 320.437 0.081 20 0 DCADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911537811 664080729 /nfs/dbraw/zinc/08/07/29/664080729.db2.gz ZUMNUBMNNQEAJJ-BYNSBNAKSA-N 1 3 320.437 0.082 20 0 DCADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911537812 664080754 /nfs/dbraw/zinc/08/07/54/664080754.db2.gz ZUMNUBMNNQEAJJ-GBJTYRQASA-N 1 3 320.437 0.082 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC000911657696 664098994 /nfs/dbraw/zinc/09/89/94/664098994.db2.gz XVDVWIREQXXRKZ-QWHCGFSZSA-N 1 3 302.378 0.333 20 0 DCADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cnccn1 ZINC000912303933 664160329 /nfs/dbraw/zinc/16/03/29/664160329.db2.gz NDVXZYOULTVXHK-UONOGXRCSA-N 1 3 307.442 0.968 20 0 DCADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cnccn1 ZINC000912303933 664160330 /nfs/dbraw/zinc/16/03/30/664160330.db2.gz NDVXZYOULTVXHK-UONOGXRCSA-N 1 3 307.442 0.968 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000730228748 664650857 /nfs/dbraw/zinc/65/08/57/664650857.db2.gz XILUPAAEUXUTIX-AWEZNQCLSA-N 1 3 307.442 0.724 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)[C@@H]2C1)C1CCC1 ZINC000992710347 664760271 /nfs/dbraw/zinc/76/02/71/664760271.db2.gz LAEMXKZSTOMCIH-NWANDNLSSA-N 1 3 322.453 0.173 20 0 DCADHO CCO[C@H](CNC(=O)N[C@@H]1CCCN(CC)C1)C[NH+](C)C ZINC000914316326 664771229 /nfs/dbraw/zinc/77/12/29/664771229.db2.gz QAAHQOVWHFEZCG-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC000992851726 664779582 /nfs/dbraw/zinc/77/95/82/664779582.db2.gz CRTPZYCRLRMIFP-GVDBMIGSSA-N 1 3 323.481 0.927 20 0 DCADHO CCN1CCN(CCCNC(=S)NCC[NH+](C)C)CC1 ZINC000915127444 664866347 /nfs/dbraw/zinc/86/63/47/664866347.db2.gz VTXLCGXWSUMZDL-UHFFFAOYSA-N 1 3 301.504 0.040 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993819525 665006464 /nfs/dbraw/zinc/00/64/64/665006464.db2.gz QMEKUBFHHMKCRZ-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993819525 665006467 /nfs/dbraw/zinc/00/64/67/665006467.db2.gz QMEKUBFHHMKCRZ-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1CN1CCCC1 ZINC000923598092 665062657 /nfs/dbraw/zinc/06/26/57/665062657.db2.gz HUZIGLDDIHJADH-ZIAGYGMSSA-N 1 3 301.456 0.628 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@H]1CCN(C2CC2)C1 ZINC000918880648 665187891 /nfs/dbraw/zinc/18/78/91/665187891.db2.gz DPYDRGRNIPRAGD-BBRMVZONSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)N[C@H]1CCN(C2CC2)C1 ZINC000918880648 665187892 /nfs/dbraw/zinc/18/78/92/665187892.db2.gz DPYDRGRNIPRAGD-BBRMVZONSA-N 1 3 322.453 0.776 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C3CN(CC4CC4)C3)CC2)C1 ZINC000941566376 666023843 /nfs/dbraw/zinc/02/38/43/666023843.db2.gz DMMCYJZUSGUDMD-OAHLLOKOSA-N 1 3 320.481 0.567 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C3CN(CC4CC4)C3)CC2)C1 ZINC000941566376 666023846 /nfs/dbraw/zinc/02/38/46/666023846.db2.gz DMMCYJZUSGUDMD-OAHLLOKOSA-N 1 3 320.481 0.567 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000941673738 666038356 /nfs/dbraw/zinc/03/83/56/666038356.db2.gz PFTCVPUQZAFSNJ-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000941673738 666038358 /nfs/dbraw/zinc/03/83/58/666038358.db2.gz PFTCVPUQZAFSNJ-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002125398 666134872 /nfs/dbraw/zinc/13/48/72/666134872.db2.gz JXVTZBNFEIFCEC-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002125398 666134873 /nfs/dbraw/zinc/13/48/73/666134873.db2.gz JXVTZBNFEIFCEC-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCOCCO ZINC000922110117 666254116 /nfs/dbraw/zinc/25/41/16/666254116.db2.gz WUKGPHZDEPZGFM-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCOCCO ZINC000922110117 666254118 /nfs/dbraw/zinc/25/41/18/666254118.db2.gz WUKGPHZDEPZGFM-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO Cn1cc(CCN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001004142044 666455779 /nfs/dbraw/zinc/45/57/79/666455779.db2.gz GLPDSGKZOMQHPB-HNNXBMFYSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001004142044 666455780 /nfs/dbraw/zinc/45/57/80/666455780.db2.gz GLPDSGKZOMQHPB-HNNXBMFYSA-N 1 3 319.453 0.495 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCN(CCCO)C2)C1 ZINC001033141369 666559776 /nfs/dbraw/zinc/55/97/76/666559776.db2.gz FCOOEWSIOJUDED-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCN(CCCO)C2)C1 ZINC001033141369 666559778 /nfs/dbraw/zinc/55/97/78/666559778.db2.gz FCOOEWSIOJUDED-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C)C(N)=O ZINC000995915720 666721841 /nfs/dbraw/zinc/72/18/41/666721841.db2.gz GMHCRXNJBONNCV-UONOGXRCSA-N 1 3 324.469 0.561 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1CCN(C2CC2)C1 ZINC000734274021 666860483 /nfs/dbraw/zinc/86/04/83/666860483.db2.gz FURRYQZSGNZXTK-AEGPPILISA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H]1CCN(C2CC2)C1 ZINC000734274021 666860486 /nfs/dbraw/zinc/86/04/86/666860486.db2.gz FURRYQZSGNZXTK-AEGPPILISA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734274021 666860488 /nfs/dbraw/zinc/86/04/88/666860488.db2.gz FURRYQZSGNZXTK-AEGPPILISA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734274021 666860490 /nfs/dbraw/zinc/86/04/90/666860490.db2.gz FURRYQZSGNZXTK-AEGPPILISA-N 1 3 308.426 0.386 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001034040478 666900668 /nfs/dbraw/zinc/90/06/68/666900668.db2.gz UHDVVLLHSNTZNW-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001034040478 666900671 /nfs/dbraw/zinc/90/06/71/666900671.db2.gz UHDVVLLHSNTZNW-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CC1 ZINC000861712146 666963645 /nfs/dbraw/zinc/96/36/45/666963645.db2.gz KCAHSBJOJIMTJE-CVEARBPZSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H](O)CN1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290051 666979114 /nfs/dbraw/zinc/97/91/14/666979114.db2.gz FIGHTRQYKRRJKW-CABCVRRESA-N 1 3 309.454 0.966 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC000997001404 667066371 /nfs/dbraw/zinc/06/63/71/667066371.db2.gz UHULRKPTSPHIPW-TZMCWYRMSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001034733848 667127964 /nfs/dbraw/zinc/12/79/64/667127964.db2.gz DZVOIJXJBUDXSG-KBUPBQIOSA-N 1 3 322.453 0.234 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C ZINC001034973941 667202128 /nfs/dbraw/zinc/20/21/28/667202128.db2.gz VPCRQVNYBJAOKA-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001035052627 667230114 /nfs/dbraw/zinc/23/01/14/667230114.db2.gz SHBVEUGOTQASKP-MCIONIFRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001035052458 667230319 /nfs/dbraw/zinc/23/03/19/667230319.db2.gz XSOHQXIIKBIHEM-ZIAGYGMSSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001035052458 667230321 /nfs/dbraw/zinc/23/03/21/667230321.db2.gz XSOHQXIIKBIHEM-ZIAGYGMSSA-N 1 3 320.441 0.380 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001035125413 667252036 /nfs/dbraw/zinc/25/20/36/667252036.db2.gz HVHDEZAPXDSVSC-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001035125734 667252312 /nfs/dbraw/zinc/25/23/12/667252312.db2.gz MLMJUGMJDQSTPY-UONOGXRCSA-N 1 3 320.441 0.330 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001035125734 667252315 /nfs/dbraw/zinc/25/23/15/667252315.db2.gz MLMJUGMJDQSTPY-UONOGXRCSA-N 1 3 320.441 0.330 20 0 DCADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001035125534 667252326 /nfs/dbraw/zinc/25/23/26/667252326.db2.gz JDERFQRBKORNQD-JKSUJKDBSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001035125534 667252328 /nfs/dbraw/zinc/25/23/28/667252328.db2.gz JDERFQRBKORNQD-JKSUJKDBSA-N 1 3 317.437 0.817 20 0 DCADHO CC1(C)CCNCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000866802669 667400767 /nfs/dbraw/zinc/40/07/67/667400767.db2.gz IHRMEIZEOCHDFQ-UHFFFAOYSA-N 1 3 303.472 0.876 20 0 DCADHO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035719882 667403620 /nfs/dbraw/zinc/40/36/20/667403620.db2.gz CMBIKYYIBOHGCA-ZFWWWQNUSA-N 1 3 309.454 0.632 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001036326653 667436372 /nfs/dbraw/zinc/43/63/72/667436372.db2.gz OVNIEEQFTYYZDA-KBPBESRZSA-N 1 3 319.409 0.202 20 0 DCADHO COCC[C@@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000884202055 667496694 /nfs/dbraw/zinc/49/66/94/667496694.db2.gz OXUOWTIXIZKMIE-CQSZACIVSA-N 1 3 309.410 0.607 20 0 DCADHO Cc1ccc(OC[C@H](O)CN(C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000923287773 667496770 /nfs/dbraw/zinc/49/67/70/667496770.db2.gz WMRTUEXAWIHRMD-QGZVFWFLSA-N 1 3 321.465 0.880 20 0 DCADHO O[C@H](COc1ccc(F)cc1)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923367443 667517741 /nfs/dbraw/zinc/51/77/41/667517741.db2.gz VEERMFWSILPKAL-HOTGVXAUSA-N 1 3 323.412 0.545 20 0 DCADHO COCCCNC(=O)[C@@H](C)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455746 667535691 /nfs/dbraw/zinc/53/56/91/667535691.db2.gz VEDLKGTVAXLXEN-KGLIPLIRSA-N 1 3 313.442 0.357 20 0 DCADHO COCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000884404469 667538830 /nfs/dbraw/zinc/53/88/30/667538830.db2.gz NIZLLNBANHLZGL-QLFBSQMISA-N 1 3 309.385 0.751 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000923487474 667542994 /nfs/dbraw/zinc/54/29/94/667542994.db2.gz DIJAAMMCCBHLAV-KBPBESRZSA-N 1 3 319.405 0.613 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884450701 667547485 /nfs/dbraw/zinc/54/74/85/667547485.db2.gz QGGPCMSTPGARBB-BMFZPTHFSA-N 1 3 305.422 0.844 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884450701 667547486 /nfs/dbraw/zinc/54/74/86/667547486.db2.gz QGGPCMSTPGARBB-BMFZPTHFSA-N 1 3 305.422 0.844 20 0 DCADHO C[C@@H]1CN(CC(=O)NCCCN2CCCC2=O)CC[C@H]1C[NH3+] ZINC000923503476 667551692 /nfs/dbraw/zinc/55/16/92/667551692.db2.gz IYHLSUBBSKGADQ-KGLIPLIRSA-N 1 3 310.442 0.032 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884576109 667569013 /nfs/dbraw/zinc/56/90/13/667569013.db2.gz ACQJZXVUZKXAPX-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000884576941 667569344 /nfs/dbraw/zinc/56/93/44/667569344.db2.gz UGAMMUWRTOBCBG-ILXRZTDVSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C1=CCN(C)CC1 ZINC000884623748 667578679 /nfs/dbraw/zinc/57/86/79/667578679.db2.gz NGXGPHAMQOKAQL-AEGPPILISA-N 1 3 320.437 0.106 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000884776212 667605680 /nfs/dbraw/zinc/60/56/80/667605680.db2.gz PCTKYADVCWVBAX-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000884776428 667605766 /nfs/dbraw/zinc/60/57/66/667605766.db2.gz SHMGREYPAPTMRP-QLFBSQMISA-N 1 3 322.453 0.459 20 0 DCADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884776406 667605839 /nfs/dbraw/zinc/60/58/39/667605839.db2.gz ROFRGZGIYYSTSO-BARDWOONSA-N 1 3 320.437 0.082 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000884776215 667605894 /nfs/dbraw/zinc/60/58/94/667605894.db2.gz PCTKYADVCWVBAX-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884785615 667606822 /nfs/dbraw/zinc/60/68/22/667606822.db2.gz AMUVKSLYYZUNLQ-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCCNCC2)CC1 ZINC000884986009 667632640 /nfs/dbraw/zinc/63/26/40/667632640.db2.gz GIGZTEGCOPOSLY-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000885195322 667651381 /nfs/dbraw/zinc/65/13/81/667651381.db2.gz KSDHZYZNLNWELY-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)Cn1cccn1 ZINC000887131104 667852892 /nfs/dbraw/zinc/85/28/92/667852892.db2.gz RBHKLSVDGSPZNO-HOCLYGCPSA-N 1 3 301.394 0.850 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889221802 667956946 /nfs/dbraw/zinc/95/69/46/667956946.db2.gz RXZLRURCCCMWFO-UHFFFAOYSA-N 1 3 305.426 0.755 20 0 DCADHO COCCN1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760482282 668274486 /nfs/dbraw/zinc/27/44/86/668274486.db2.gz BGIACWBIAMQTHF-AWEZNQCLSA-N 1 3 314.499 0.513 20 0 DCADHO CC1(C)[C@H]([NH2+]CCCN2CCCS2(=O)=O)[C@@H]2CCCN[C@@H]21 ZINC000925591673 668333408 /nfs/dbraw/zinc/33/34/08/668333408.db2.gz RTGLLYXRGWHPTA-HZSPNIEDSA-N 1 3 315.483 0.778 20 0 DCADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]2CCCN[C@@H]21 ZINC000925620946 668336859 /nfs/dbraw/zinc/33/68/59/668336859.db2.gz DTSGLVXAWSWRQL-RFQIPJPRSA-N 1 3 315.483 0.634 20 0 DCADHO C[C@H]1NCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000925669424 668339959 /nfs/dbraw/zinc/33/99/59/668339959.db2.gz BXTAHIOADGNCJR-MOTUXRJWSA-N 1 3 308.470 0.800 20 0 DCADHO CC(C)(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1COCC12OCCO2 ZINC000925685281 668340832 /nfs/dbraw/zinc/34/08/32/668340832.db2.gz HGPAHVUCMFTLNV-LFTMDZKFSA-N 1 3 322.449 0.988 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000925722859 668342985 /nfs/dbraw/zinc/34/29/85/668342985.db2.gz OAKSHJQIDMPMRT-LRDDRELGSA-N 1 3 300.410 0.956 20 0 DCADHO C[C@@H](NCCN1Cc2ccccc2OCC1=O)[C@H]1CC[NH2+]C1 ZINC000925806035 668350988 /nfs/dbraw/zinc/35/09/88/668350988.db2.gz NUCWYOLEMCRRPN-KGLIPLIRSA-N 1 3 303.406 0.995 20 0 DCADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2 ZINC000926177584 668382855 /nfs/dbraw/zinc/38/28/55/668382855.db2.gz WWFYXAYFDSBRCB-SRABZTEZSA-N 1 3 311.470 0.923 20 0 DCADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2 ZINC000926177584 668382858 /nfs/dbraw/zinc/38/28/58/668382858.db2.gz WWFYXAYFDSBRCB-SRABZTEZSA-N 1 3 311.470 0.923 20 0 DCADHO C[C@@H]1CN(CC[C@@H]2CCOC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764468151 668448530 /nfs/dbraw/zinc/44/85/30/668448530.db2.gz FYORCOYJCRQHKD-OAGGEKHMSA-N 1 3 309.454 0.897 20 0 DCADHO CC[N@H+](CCCNS(=O)(=O)C1CNC1)C1CCCCC1 ZINC000923651936 668484845 /nfs/dbraw/zinc/48/48/45/668484845.db2.gz JBHQBDBEGFFORB-UHFFFAOYSA-N 1 3 303.472 0.922 20 0 DCADHO CC[N@@H+](CCCNS(=O)(=O)C1CNC1)C1CCCCC1 ZINC000923651936 668484848 /nfs/dbraw/zinc/48/48/48/668484848.db2.gz JBHQBDBEGFFORB-UHFFFAOYSA-N 1 3 303.472 0.922 20 0 DCADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CN(C)C)Cc1ccccc1 ZINC000876722523 668496397 /nfs/dbraw/zinc/49/63/97/668496397.db2.gz XJNUEBAHIFUSHH-IRXDYDNUSA-N 1 3 320.481 0.945 20 0 DCADHO C[NH+](C)C[C@H](N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000876723905 668496430 /nfs/dbraw/zinc/49/64/30/668496430.db2.gz ZRPIYGHEOBYRKU-INIZCTEOSA-N 1 3 318.465 0.828 20 0 DCADHO C[NH+](C)C[C@H](N)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876726338 668496824 /nfs/dbraw/zinc/49/68/24/668496824.db2.gz YTIACIGOYORJMW-INIZCTEOSA-N 1 3 320.437 0.471 20 0 DCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CCCN1C ZINC000876732623 668497807 /nfs/dbraw/zinc/49/78/07/668497807.db2.gz BBFOFBFAJQZHKI-KBPBESRZSA-N 1 3 305.426 0.940 20 0 DCADHO CN1CCN(CCCCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876779954 668509489 /nfs/dbraw/zinc/50/94/89/668509489.db2.gz AANIKNNGKCLULM-FYCOFBDGSA-N 1 3 308.470 0.686 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000876782483 668510445 /nfs/dbraw/zinc/51/04/45/668510445.db2.gz SQUQWLAICCRLEC-LWKBOXFSSA-N 1 3 322.497 0.788 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000876782643 668510652 /nfs/dbraw/zinc/51/06/52/668510652.db2.gz XXMJTUMFQPRBBD-VEHMHOGNSA-N 1 3 308.470 0.540 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000876845692 668520320 /nfs/dbraw/zinc/52/03/20/668520320.db2.gz HHDFFXPANVLHOJ-JLJPHGGASA-N 1 3 303.406 0.757 20 0 DCADHO [NH3+]C[C@]1(C(=O)NC[C@H]2NCCc3ccccc32)CCCOC1 ZINC000876847801 668520427 /nfs/dbraw/zinc/52/04/27/668520427.db2.gz ZDZFGGXWEYHXHE-NVXWUHKLSA-N 1 3 303.406 0.745 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)/C=C/[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000876919604 668536341 /nfs/dbraw/zinc/53/63/41/668536341.db2.gz XFAZPQQQTOAYNM-XPKDBEDXSA-N 1 3 318.425 0.456 20 0 DCADHO CC[C@H]([NH2+]C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206867 668576245 /nfs/dbraw/zinc/57/62/45/668576245.db2.gz NLOSHQJXSHQELA-AWEZNQCLSA-N 1 3 302.382 0.340 20 0 DCADHO COC[C@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]C1 ZINC000877341870 668605709 /nfs/dbraw/zinc/60/57/09/668605709.db2.gz XCPPWXBEVHMVPS-RDJZCZTQSA-N 1 3 303.406 0.443 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877384163 668613592 /nfs/dbraw/zinc/61/35/92/668613592.db2.gz DMKUXPOGCFENJK-XYJFISCASA-N 1 3 316.449 0.847 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000879993875 669142380 /nfs/dbraw/zinc/14/23/80/669142380.db2.gz WFVVYSGNOWLFIT-BBRMVZONSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000879993875 669142385 /nfs/dbraw/zinc/14/23/85/669142385.db2.gz WFVVYSGNOWLFIT-BBRMVZONSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CCN1c1cc[nH+]cc1 ZINC000880262011 669182321 /nfs/dbraw/zinc/18/23/21/669182321.db2.gz RDAGSDIPFFWWCF-GDBMZVCRSA-N 1 3 301.394 0.850 20 0 DCADHO CN(C[C@@H](O)C[NH+]1CCCC1)C1CCN(c2cnccn2)CC1 ZINC000789370027 669488738 /nfs/dbraw/zinc/48/87/38/669488738.db2.gz APTJZUPAPIIVSZ-MRXNPFEDSA-N 1 3 319.453 0.834 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCCCC1 ZINC000793721993 669738774 /nfs/dbraw/zinc/73/87/74/669738774.db2.gz UAIAATMOAUPCLA-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H](C)N1 ZINC000884030731 669817225 /nfs/dbraw/zinc/81/72/25/669817225.db2.gz WHUKBGPHQOGKPD-STQMWFEESA-N 1 3 303.410 0.314 20 0 DCADHO CON(C)C(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000799149657 670045037 /nfs/dbraw/zinc/04/50/37/670045037.db2.gz YMHWEDUZEYZREW-CABCVRRESA-N 1 3 312.458 0.354 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000811874660 670553390 /nfs/dbraw/zinc/55/33/90/670553390.db2.gz FFMWEJKOONKSIX-KKUMJFAQSA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000811874660 670553394 /nfs/dbraw/zinc/55/33/94/670553394.db2.gz FFMWEJKOONKSIX-KKUMJFAQSA-N 1 3 312.458 0.878 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CC(N)=O)cc1 ZINC000849029335 670752839 /nfs/dbraw/zinc/75/28/39/670752839.db2.gz QMACIUFNAGGYCF-OAHLLOKOSA-N 1 3 317.437 0.813 20 0 DCADHO COC[C@H](C)NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849274856 670771507 /nfs/dbraw/zinc/77/15/07/670771507.db2.gz AUESNGQKCYSBCJ-STQMWFEESA-N 1 3 304.504 0.757 20 0 DCADHO COC[C@H](C)NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849274856 670771514 /nfs/dbraw/zinc/77/15/14/670771514.db2.gz AUESNGQKCYSBCJ-STQMWFEESA-N 1 3 304.504 0.757 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000849605027 670825604 /nfs/dbraw/zinc/82/56/04/670825604.db2.gz ZQVCSIIEPAGHGM-GJZGRUSLSA-N 1 3 321.469 0.912 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[C@H]1F ZINC000851667234 671008287 /nfs/dbraw/zinc/00/82/87/671008287.db2.gz MHHILTCOMONFPE-KFWWJZLASA-N 1 3 306.385 0.954 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC000820081111 671163630 /nfs/dbraw/zinc/16/36/30/671163630.db2.gz UHAQTZPAGMNTIP-LZWOXQAQSA-N 1 3 312.458 0.282 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC000820081111 671163634 /nfs/dbraw/zinc/16/36/34/671163634.db2.gz UHAQTZPAGMNTIP-LZWOXQAQSA-N 1 3 312.458 0.282 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000828666820 671558198 /nfs/dbraw/zinc/55/81/98/671558198.db2.gz JFBDUXMZGSCVNF-UHFFFAOYSA-N 1 3 312.458 0.518 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000842014792 671973895 /nfs/dbraw/zinc/97/38/95/671973895.db2.gz FDQVSWZSHJAGOS-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N1CCCCC1 ZINC000842014278 671974280 /nfs/dbraw/zinc/97/42/80/671974280.db2.gz BOCJJEDGQRWJNE-XJKSGUPXSA-N 1 3 310.442 0.174 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842015993 671974498 /nfs/dbraw/zinc/97/44/98/671974498.db2.gz QBNLZRPZNPDISH-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])N1CCCCC1 ZINC000842016259 671974853 /nfs/dbraw/zinc/97/48/53/671974853.db2.gz SPCFTAHYNGNCHM-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CN(CCNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)C1CC1 ZINC000842083705 671981325 /nfs/dbraw/zinc/98/13/25/671981325.db2.gz HPAZJOBOEOPYSY-UHFFFAOYSA-N 1 3 318.421 0.014 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843454242 672097958 /nfs/dbraw/zinc/09/79/58/672097958.db2.gz OYVOEUHGZBQBCG-AWEZNQCLSA-N 1 3 307.398 0.515 20 0 DCADHO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000892561177 685427312 /nfs/dbraw/zinc/42/73/12/685427312.db2.gz WSOSDZIMNVQLHM-GASCZTMLSA-N 1 3 310.442 0.478 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)CC[N@@H+]1C ZINC000960267964 688339860 /nfs/dbraw/zinc/33/98/60/688339860.db2.gz JFIITJLFEHCWIK-ODVANORSSA-N 1 3 317.433 0.691 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)CC[N@H+]1C ZINC000960267964 688339867 /nfs/dbraw/zinc/33/98/67/688339867.db2.gz JFIITJLFEHCWIK-ODVANORSSA-N 1 3 317.433 0.691 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961455585 688623136 /nfs/dbraw/zinc/62/31/36/688623136.db2.gz DNLKWOIHSBAUKJ-BYNSBNAKSA-N 1 3 309.454 0.942 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961455585 688623138 /nfs/dbraw/zinc/62/31/38/688623138.db2.gz DNLKWOIHSBAUKJ-BYNSBNAKSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)C1 ZINC000961787436 688734107 /nfs/dbraw/zinc/73/41/07/688734107.db2.gz KGRVXVKAHHXYEP-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)C1 ZINC000961787436 688734110 /nfs/dbraw/zinc/73/41/10/688734110.db2.gz KGRVXVKAHHXYEP-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO O=C(NC[C@@H]1CCN1CC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001038925746 694242712 /nfs/dbraw/zinc/24/27/12/694242712.db2.gz KVTQESZMUCPFRQ-GJZGRUSLSA-N 1 3 307.438 0.842 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]C[C@@H]2CCOC2)C1 ZINC000962603296 688953772 /nfs/dbraw/zinc/95/37/72/688953772.db2.gz RGUXIQFKAXKZFP-HSBZDZAISA-N 1 3 306.410 0.782 20 0 DCADHO CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000963839722 689102569 /nfs/dbraw/zinc/10/25/69/689102569.db2.gz WCRIGAIFJCHECS-KDUKZITGSA-N 1 3 307.438 0.887 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000965950591 689591785 /nfs/dbraw/zinc/59/17/85/689591785.db2.gz NFBLRHFTMUVRDG-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000965950591 689591787 /nfs/dbraw/zinc/59/17/87/689591787.db2.gz NFBLRHFTMUVRDG-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000966001546 689605725 /nfs/dbraw/zinc/60/57/25/689605725.db2.gz NFBLRHFTMUVRDG-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000966001546 689605734 /nfs/dbraw/zinc/60/57/34/689605734.db2.gz NFBLRHFTMUVRDG-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968409677 690255006 /nfs/dbraw/zinc/25/50/06/690255006.db2.gz OJWGOHQNYVLRKJ-HIFRSBDPSA-N 1 3 307.442 0.905 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968728447 690379485 /nfs/dbraw/zinc/37/94/85/690379485.db2.gz PMNJBBAWEQRTED-FVQBIDKESA-N 1 3 319.453 0.759 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968728447 690379488 /nfs/dbraw/zinc/37/94/88/690379488.db2.gz PMNJBBAWEQRTED-FVQBIDKESA-N 1 3 319.453 0.759 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC000969074452 690463560 /nfs/dbraw/zinc/46/35/60/690463560.db2.gz DVXVEEVYYMUBLY-HUUCEWRRSA-N 1 3 322.457 0.426 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001010727782 691362816 /nfs/dbraw/zinc/36/28/16/691362816.db2.gz WVRHSIGUDKKGHT-CABCVRRESA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)C1(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001011158730 691478474 /nfs/dbraw/zinc/47/84/74/691478474.db2.gz DSVXRALKRZRWQT-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C1(C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001011158730 691478479 /nfs/dbraw/zinc/47/84/79/691478479.db2.gz DSVXRALKRZRWQT-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1 ZINC001018963218 693298488 /nfs/dbraw/zinc/29/84/88/693298488.db2.gz DSOORNYJQUHSGA-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1)C1CC1 ZINC001018966487 693299984 /nfs/dbraw/zinc/29/99/84/693299984.db2.gz KDRSKWDZSGTWEO-HOTGVXAUSA-N 1 3 319.453 0.493 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001019381340 693454636 /nfs/dbraw/zinc/45/46/36/693454636.db2.gz GPPJVXKIRWKUSK-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001019469697 693483476 /nfs/dbraw/zinc/48/34/76/693483476.db2.gz JENKXTCXWGIAMN-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC001019469785 693483719 /nfs/dbraw/zinc/48/37/19/693483719.db2.gz NSJKBXUKDFCFFH-AWEZNQCLSA-N 1 3 320.441 0.536 20 0 DCADHO CN1CC[C@H](N[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001019469989 693483772 /nfs/dbraw/zinc/48/37/72/693483772.db2.gz YFUCODFKYVAKIK-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001019558726 693521698 /nfs/dbraw/zinc/52/16/98/693521698.db2.gz IVTINJLMHRLFMI-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001019820590 693597119 /nfs/dbraw/zinc/59/71/19/693597119.db2.gz PXFUXQQTKJTERD-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001019820590 693597121 /nfs/dbraw/zinc/59/71/21/693597121.db2.gz PXFUXQQTKJTERD-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072678001 694651564 /nfs/dbraw/zinc/65/15/64/694651564.db2.gz WYNAAAQWBAYLNA-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2)C1CC1 ZINC001072814389 694669535 /nfs/dbraw/zinc/66/95/35/694669535.db2.gz CFPNROUKAFDPHO-GDBMZVCRSA-N 1 3 321.465 0.897 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2)C1CC1 ZINC001072814389 694669536 /nfs/dbraw/zinc/66/95/36/694669536.db2.gz CFPNROUKAFDPHO-GDBMZVCRSA-N 1 3 321.465 0.897 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)[C@@H]1C)N(C)C ZINC001074709778 694918415 /nfs/dbraw/zinc/91/84/15/694918415.db2.gz QCDOLDDVHWOHDV-CWRNSKLLSA-N 1 3 321.469 0.882 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)C1=O ZINC001074803676 694924359 /nfs/dbraw/zinc/92/43/59/694924359.db2.gz JYRREBRCVBHULD-BYNSBNAKSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C)C(N)=O ZINC001074993563 694933855 /nfs/dbraw/zinc/93/38/55/694933855.db2.gz MFKJQURFVSSMMV-RDBSUJKOSA-N 1 3 310.442 0.171 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075042569 694935715 /nfs/dbraw/zinc/93/57/15/694935715.db2.gz ZDSRZMRJMSYMME-YUTCNCBUSA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075042569 694935716 /nfs/dbraw/zinc/93/57/16/694935716.db2.gz ZDSRZMRJMSYMME-YUTCNCBUSA-N 1 3 320.441 0.534 20 0 DCADHO COCCN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798818 694977467 /nfs/dbraw/zinc/97/74/67/694977467.db2.gz PMFZYIQKRUHGLY-HRCADAONSA-N 1 3 307.438 0.507 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076587118 695030254 /nfs/dbraw/zinc/03/02/54/695030254.db2.gz UPSZXEXCBAPDJS-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076587118 695030255 /nfs/dbraw/zinc/03/02/55/695030255.db2.gz UPSZXEXCBAPDJS-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001077021097 695126620 /nfs/dbraw/zinc/12/66/20/695126620.db2.gz LDBWVNMWWHUJTB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001077021097 695126621 /nfs/dbraw/zinc/12/66/21/695126621.db2.gz LDBWVNMWWHUJTB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)C[C@@H]1C ZINC001671256457 1158094561 /nfs/dbraw/zinc/09/45/61/1158094561.db2.gz GBKOQYLKZQMZEB-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H]([NH3+])C1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC001648970556 1158206381 /nfs/dbraw/zinc/20/63/81/1158206381.db2.gz QDNAUESBVXQTII-MJBXVCDLSA-N 1 3 311.426 0.110 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)C(C)(C)[NH3+])c2)CC1 ZINC001771743921 1158264119 /nfs/dbraw/zinc/26/41/19/1158264119.db2.gz GKVLCHOGSIASJG-UHFFFAOYSA-N 1 3 304.438 0.788 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001671280827 1158717771 /nfs/dbraw/zinc/71/77/71/1158717771.db2.gz HRZWNCNUHIRQDH-HOTGVXAUSA-N 1 3 319.453 0.637 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCCN(CCCF)C2)C1 ZINC001447047550 1159568638 /nfs/dbraw/zinc/56/86/38/1159568638.db2.gz VMQBBJVYWUONDU-GOEBONIOSA-N 1 3 315.433 0.631 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCCN(CCCF)C2)C1 ZINC001447047550 1159568644 /nfs/dbraw/zinc/56/86/44/1159568644.db2.gz VMQBBJVYWUONDU-GOEBONIOSA-N 1 3 315.433 0.631 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001567555566 1160419633 /nfs/dbraw/zinc/41/96/33/1160419633.db2.gz SVIKPVDBZYVYSI-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)ncn1 ZINC001568699292 1160741683 /nfs/dbraw/zinc/74/16/83/1160741683.db2.gz PYOQXFHBMKMFAF-ZDUSSCGKSA-N 1 3 317.437 0.865 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001568948322 1160888547 /nfs/dbraw/zinc/88/85/47/1160888547.db2.gz OBQPYBYVKKLZPL-YWVDXFKGSA-N 1 3 322.453 0.244 20 0 DCADHO CCCNC(=O)[C@@H](C)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001568952210 1160894150 /nfs/dbraw/zinc/89/41/50/1160894150.db2.gz VJNCDWWPEOOPPK-ISZGNANSSA-N 1 3 322.453 0.259 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001569092760 1160939931 /nfs/dbraw/zinc/93/99/31/1160939931.db2.gz SZFJRFRZQVPTSH-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569091749 1160940125 /nfs/dbraw/zinc/94/01/25/1160940125.db2.gz CQCVBMAGJQQMDJ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001575917929 1164184051 /nfs/dbraw/zinc/18/40/51/1164184051.db2.gz GRZXJRRQSYYKHN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001575917929 1164184056 /nfs/dbraw/zinc/18/40/56/1164184056.db2.gz GRZXJRRQSYYKHN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001576607554 1164410271 /nfs/dbraw/zinc/41/02/71/1164410271.db2.gz YXTXTHAUFZWRSD-VNHYZAJKSA-N 1 3 310.442 0.761 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)c1[nH]nc2c1CNCC2 ZINC001577693243 1164768314 /nfs/dbraw/zinc/76/83/14/1164768314.db2.gz QDCNJKYDHOCMMZ-UHFFFAOYSA-N 1 3 309.414 0.144 20 0 DCADHO CC[NH2+]C1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC001577821363 1164804993 /nfs/dbraw/zinc/80/49/93/1164804993.db2.gz LEBVFOISAFXAKO-HNNXBMFYSA-N 1 3 315.483 0.876 20 0 DCADHO Cc1c(CN)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nn1C ZINC001579531639 1165341084 /nfs/dbraw/zinc/34/10/84/1165341084.db2.gz YALXFZVFDWECGJ-YOGCLGLASA-N 1 3 306.414 0.934 20 0 DCADHO Cc1c(CN)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1C ZINC001579531639 1165341092 /nfs/dbraw/zinc/34/10/92/1165341092.db2.gz YALXFZVFDWECGJ-YOGCLGLASA-N 1 3 306.414 0.934 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001580660381 1165678019 /nfs/dbraw/zinc/67/80/19/1165678019.db2.gz AUMBKEBISXACOB-NHIYQJMISA-N 1 3 308.426 0.433 20 0 DCADHO O=C1O[C@H](CN2CCC(O)(c3ccccc3)CC2)CC12C[NH2+]C2 ZINC001580853827 1165739299 /nfs/dbraw/zinc/73/92/99/1165739299.db2.gz VPWSWPUCDHKYEP-HNNXBMFYSA-N 1 3 316.401 0.875 20 0 DCADHO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590471197 1166917381 /nfs/dbraw/zinc/91/73/81/1166917381.db2.gz YTFKYPQENWNBPQ-HNNXBMFYSA-N 1 3 315.425 0.813 20 0 DCADHO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590471197 1166917387 /nfs/dbraw/zinc/91/73/87/1166917387.db2.gz YTFKYPQENWNBPQ-HNNXBMFYSA-N 1 3 315.425 0.813 20 0 DCADHO COc1ccc(COC[C@@H](O)CNC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001646520812 1172412776 /nfs/dbraw/zinc/41/27/76/1172412776.db2.gz VVMKURGOXFZWAV-RDJZCZTQSA-N 1 3 324.421 0.229 20 0 DCADHO COc1ccc(COC[C@@H](O)CNC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001646520812 1172412781 /nfs/dbraw/zinc/41/27/81/1172412781.db2.gz VVMKURGOXFZWAV-RDJZCZTQSA-N 1 3 324.421 0.229 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001646549438 1172420710 /nfs/dbraw/zinc/42/07/10/1172420710.db2.gz NPYAXXQDYYUSEY-GUTXKFCHSA-N 1 3 310.442 0.666 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001646564235 1172426114 /nfs/dbraw/zinc/42/61/14/1172426114.db2.gz IPRFWMLIOKYHGI-ZNMIVQPWSA-N 1 3 311.474 0.439 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH3+])CC(O)C1)N(C)Cc1ccccc1 ZINC001646741899 1172503575 /nfs/dbraw/zinc/50/35/75/1172503575.db2.gz HCWWJYHRGGFVJA-KTAKPFMOSA-N 1 3 305.422 0.723 20 0 DCADHO C[C@@H](CNC(=O)c1ccccc1C[NH3+])CN1CCN(C)CC1 ZINC001646745200 1172506745 /nfs/dbraw/zinc/50/67/45/1172506745.db2.gz ZVUKSYJZXLTRHZ-AWEZNQCLSA-N 1 3 304.438 0.759 20 0 DCADHO COc1ccccc1COC[C@H](O)CNC[C@@]1(O)CC[N@H+](C)C1 ZINC001647560776 1172972421 /nfs/dbraw/zinc/97/24/21/1172972421.db2.gz SNIOTKJAWRECIO-WBVHZDCISA-N 1 3 324.421 0.229 20 0 DCADHO COc1ccccc1COC[C@H](O)CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC001647560776 1172972426 /nfs/dbraw/zinc/97/24/26/1172972426.db2.gz SNIOTKJAWRECIO-WBVHZDCISA-N 1 3 324.421 0.229 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001647563199 1172973095 /nfs/dbraw/zinc/97/30/95/1172973095.db2.gz YBYHEYUVLNLEOZ-CHWSQXEVSA-N 1 3 324.425 0.065 20 0 DCADHO CC(C)COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001649461440 1173141980 /nfs/dbraw/zinc/14/19/80/1173141980.db2.gz XXQSKXJIJBCQLJ-OAHLLOKOSA-N 1 3 324.425 0.442 20 0 DCADHO CC(C)(CCC(=O)NCC[NH+]1CCC1)C(=O)NCCN1CCC1 ZINC001649731158 1173188206 /nfs/dbraw/zinc/18/82/06/1173188206.db2.gz VVYNBZWMTHVQFO-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CN(C(=O)c1ncoc1CN)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001649976219 1173354320 /nfs/dbraw/zinc/35/43/20/1173354320.db2.gz GGAOUJKYWYPAOY-ZDUSSCGKSA-N 1 3 321.425 0.374 20 0 DCADHO CN(C(=O)c1ncoc1CN)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001649976219 1173354327 /nfs/dbraw/zinc/35/43/27/1173354327.db2.gz GGAOUJKYWYPAOY-ZDUSSCGKSA-N 1 3 321.425 0.374 20 0 DCADHO NC(=O)[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Cc1ccc(F)cc1 ZINC001650159134 1173489114 /nfs/dbraw/zinc/48/91/14/1173489114.db2.gz UGBJEOQEGLHOKZ-GDBMZVCRSA-N 1 3 323.412 0.516 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC001650178254 1173499985 /nfs/dbraw/zinc/49/99/85/1173499985.db2.gz MCTURRXWHMBYNH-RBSFLKMASA-N 1 3 312.458 0.378 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1(C2CC[NH2+]CC2)CC1 ZINC001650336836 1173574720 /nfs/dbraw/zinc/57/47/20/1173574720.db2.gz QRFQRSKXORBPRO-CABCVRRESA-N 1 3 307.438 0.746 20 0 DCADHO [NH3+][C@@H]1CCCn2nc(C(=O)Nc3cnc4c(c3)CNCC4)cc21 ZINC001650341463 1173579720 /nfs/dbraw/zinc/57/97/20/1173579720.db2.gz SRYYZHQKQGEZGV-GFCCVEGCSA-N 1 3 312.377 0.970 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCN3C)C2)cc1 ZINC001650379387 1173603547 /nfs/dbraw/zinc/60/35/47/1173603547.db2.gz NTGOKDOGTXXBAO-IRXDYDNUSA-N 1 3 316.449 0.589 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660190390 1173957206 /nfs/dbraw/zinc/95/72/06/1173957206.db2.gz MQIJMHAZEKRVTR-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001664187113 1174407375 /nfs/dbraw/zinc/40/73/75/1174407375.db2.gz USAXSUBGRVJOMH-AWEZNQCLSA-N 1 3 320.437 0.275 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309683 1174420758 /nfs/dbraw/zinc/42/07/58/1174420758.db2.gz YVASXNRNZIZLCL-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001667306963 1174675103 /nfs/dbraw/zinc/67/51/03/1174675103.db2.gz NCUWMCIRANALQI-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1cnccn1 ZINC001670345168 1175005993 /nfs/dbraw/zinc/00/59/93/1175005993.db2.gz REZQVBOEOXXLNX-ZIAGYGMSSA-N 1 3 305.426 0.927 20 0 DCADHO C[C@@H](NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1cnccn1 ZINC001670345168 1175005998 /nfs/dbraw/zinc/00/59/98/1175005998.db2.gz REZQVBOEOXXLNX-ZIAGYGMSSA-N 1 3 305.426 0.927 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001673316252 1175189354 /nfs/dbraw/zinc/18/93/54/1175189354.db2.gz DDIPGNDHDNWZOK-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO CCCN1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001690066763 1177160197 /nfs/dbraw/zinc/16/01/97/1177160197.db2.gz LCOFQUIYAWIQJW-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCCN1CCN(CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001690066763 1177160203 /nfs/dbraw/zinc/16/02/03/1177160203.db2.gz LCOFQUIYAWIQJW-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO O=C(NC[C@H](O)CNC/C=C\Cl)C12CCC[NH+](CCC1)C2 ZINC001699050618 1177800565 /nfs/dbraw/zinc/80/05/65/1177800565.db2.gz IXRCNRIWBDMTSX-ACVFHECNSA-N 1 3 315.845 0.682 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001699055944 1177806753 /nfs/dbraw/zinc/80/67/53/1177806753.db2.gz BRWZHQZHNBNJBW-CABCVRRESA-N 1 3 322.457 0.493 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699146036 1177892438 /nfs/dbraw/zinc/89/24/38/1177892438.db2.gz HHDZFOZZKJFYRU-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001699146036 1177892444 /nfs/dbraw/zinc/89/24/44/1177892444.db2.gz HHDZFOZZKJFYRU-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CCCN1C ZINC001699172714 1177909568 /nfs/dbraw/zinc/90/95/68/1177909568.db2.gz MIDYVPFXRJDIET-HNNXBMFYSA-N 1 3 320.437 0.418 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001699256535 1177992663 /nfs/dbraw/zinc/99/26/63/1177992663.db2.gz BLQJXZDLYDCZPY-LPUOJRKPSA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001699256535 1177992678 /nfs/dbraw/zinc/99/26/78/1177992678.db2.gz BLQJXZDLYDCZPY-LPUOJRKPSA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC/C=C\C[NH2+]CCO)C1 ZINC001699309547 1178053128 /nfs/dbraw/zinc/05/31/28/1178053128.db2.gz UFZHWTUPVNEVSB-FOSCPCJNSA-N 1 3 301.406 0.453 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(N)=O ZINC001699314155 1178057385 /nfs/dbraw/zinc/05/73/85/1178057385.db2.gz LFIHPPYBVZQTKF-BEWKBBBFSA-N 1 3 324.469 0.775 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(N)=O ZINC001699314155 1178057394 /nfs/dbraw/zinc/05/73/94/1178057394.db2.gz LFIHPPYBVZQTKF-BEWKBBBFSA-N 1 3 324.469 0.775 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001699508489 1178172103 /nfs/dbraw/zinc/17/21/03/1178172103.db2.gz ACQSEWDDUOSVIP-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001700676062 1178701609 /nfs/dbraw/zinc/70/16/09/1178701609.db2.gz UURUYKILCUGMIZ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001703372197 1179507375 /nfs/dbraw/zinc/50/73/75/1179507375.db2.gz RWTALWJATZHJFH-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001703372197 1179507380 /nfs/dbraw/zinc/50/73/80/1179507380.db2.gz RWTALWJATZHJFH-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1CCOCC(F)F ZINC001707266652 1180453383 /nfs/dbraw/zinc/45/33/83/1180453383.db2.gz LNBLGMIXHMMQBF-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1CCOCC(F)F ZINC001707266652 1180453389 /nfs/dbraw/zinc/45/33/89/1180453389.db2.gz LNBLGMIXHMMQBF-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1CCOCC(F)F ZINC001707266652 1180453391 /nfs/dbraw/zinc/45/33/91/1180453391.db2.gz LNBLGMIXHMMQBF-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO CCN1CC[C@H]([N@H+](CC)CCCNC(=O)[C@H]2CCCN2C)C1=O ZINC001707461166 1180520977 /nfs/dbraw/zinc/52/09/77/1180520977.db2.gz YLBCGNZLIPQMLV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H]([N@@H+](CC)CCCNC(=O)[C@H]2CCCN2C)C1=O ZINC001707461166 1180520980 /nfs/dbraw/zinc/52/09/80/1180520980.db2.gz YLBCGNZLIPQMLV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001712991106 1180614492 /nfs/dbraw/zinc/61/44/92/1180614492.db2.gz MITYAOCCKNARTQ-AWEZNQCLSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001712991106 1180614495 /nfs/dbraw/zinc/61/44/95/1180614495.db2.gz MITYAOCCKNARTQ-AWEZNQCLSA-N 1 3 322.457 0.544 20 0 DCADHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCNC1=O ZINC001713013353 1180625555 /nfs/dbraw/zinc/62/55/55/1180625555.db2.gz UJKBJQBQRPBKCD-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001713350174 1180780298 /nfs/dbraw/zinc/78/02/98/1180780298.db2.gz RPVWZYVRZTZPIQ-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CC[NH2+]Cc1ccc(CO)cc1)C(=O)[C@@H]1CCCN1C ZINC001713578633 1180936238 /nfs/dbraw/zinc/93/62/38/1180936238.db2.gz SNCKVAPCSZTHKQ-INIZCTEOSA-N 1 3 305.422 0.821 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001714022069 1181208559 /nfs/dbraw/zinc/20/85/59/1181208559.db2.gz LFINBKKFTVSLIN-FRRDWIJNSA-N 1 3 319.396 0.988 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001714314074 1181317355 /nfs/dbraw/zinc/31/73/55/1181317355.db2.gz BOQSYIFDCSKXPV-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]CCn2cccn2)C1)C1CCC1 ZINC001714351595 1181332637 /nfs/dbraw/zinc/33/26/37/1181332637.db2.gz QJWNKQBAVBDFDF-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714607102 1181436930 /nfs/dbraw/zinc/43/69/30/1181436930.db2.gz LUALNVUKJIKGNG-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)N2CCCCC2)C1 ZINC001714755553 1181527012 /nfs/dbraw/zinc/52/70/12/1181527012.db2.gz LJZMKNDAVZUGBD-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)N2CCCCC2)C1 ZINC001714755553 1181527018 /nfs/dbraw/zinc/52/70/18/1181527018.db2.gz LJZMKNDAVZUGBD-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCNC(=O)CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001714830600 1181565518 /nfs/dbraw/zinc/56/55/18/1181565518.db2.gz VQEJUUWKUSWASP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001714830600 1181565523 /nfs/dbraw/zinc/56/55/23/1181565523.db2.gz VQEJUUWKUSWASP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CCn2cncn2)CCCC1 ZINC001715103588 1181690242 /nfs/dbraw/zinc/69/02/42/1181690242.db2.gz NDHKHGXXCZVLKN-UHFFFAOYSA-N 1 3 322.457 0.637 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNC/C=C\Cl)C1 ZINC001715598832 1181886372 /nfs/dbraw/zinc/88/63/72/1181886372.db2.gz LAADPKMPLSUGMT-WFVZMWEJSA-N 1 3 317.861 0.928 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNC/C=C\Cl)C1 ZINC001715598832 1181886375 /nfs/dbraw/zinc/88/63/75/1181886375.db2.gz LAADPKMPLSUGMT-WFVZMWEJSA-N 1 3 317.861 0.928 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715854319 1182053617 /nfs/dbraw/zinc/05/36/17/1182053617.db2.gz RMCNUROWGWNPBD-URWSZGRFSA-N 1 3 310.442 0.257 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCC(=O)N1CCC1 ZINC001715911397 1182095683 /nfs/dbraw/zinc/09/56/83/1182095683.db2.gz HWHPPVASGQGUIQ-MBVDDHJVSA-N 1 3 322.453 0.355 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCC(=O)N1CCC1 ZINC001715911397 1182095689 /nfs/dbraw/zinc/09/56/89/1182095689.db2.gz HWHPPVASGQGUIQ-MBVDDHJVSA-N 1 3 322.453 0.355 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@H]1CCCNC1=O)[NH+](C)C ZINC001716306637 1182320732 /nfs/dbraw/zinc/32/07/32/1182320732.db2.gz ZTKVWHHBNDWMFU-LAWSMPECSA-N 1 3 310.442 0.113 20 0 DCADHO CCN1CC[C@@H](NC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001716306028 1182320789 /nfs/dbraw/zinc/32/07/89/1182320789.db2.gz UWPRYWHBYKVZQV-XAQJJABOSA-N 1 3 324.469 0.455 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]C[C@H]1CCCOC1 ZINC001716370296 1182362596 /nfs/dbraw/zinc/36/25/96/1182362596.db2.gz UTLILUSUYFQPSC-PYLYLYNFSA-N 1 3 306.410 0.949 20 0 DCADHO COc1cccc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001716585627 1182456983 /nfs/dbraw/zinc/45/69/83/1182456983.db2.gz RCFMCKWNVQVGOT-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO COc1cccc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001716585627 1182456986 /nfs/dbraw/zinc/45/69/86/1182456986.db2.gz RCFMCKWNVQVGOT-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001717086947 1182672105 /nfs/dbraw/zinc/67/21/05/1182672105.db2.gz CSEFYGMPGAMZCR-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCOCC1CC1 ZINC001723950549 1184364181 /nfs/dbraw/zinc/36/41/81/1184364181.db2.gz YTAIFCKVHWKCDA-HNNXBMFYSA-N 1 3 306.410 0.959 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001724718232 1184533593 /nfs/dbraw/zinc/53/35/93/1184533593.db2.gz FKVQXBORMFWBEG-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731436537 1185332667 /nfs/dbraw/zinc/33/26/67/1185332667.db2.gz YTBIFKXDPONNRM-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001731436537 1185332671 /nfs/dbraw/zinc/33/26/71/1185332671.db2.gz YTBIFKXDPONNRM-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001732010766 1185634541 /nfs/dbraw/zinc/63/45/41/1185634541.db2.gz MHLZNMGZTNYMMZ-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO COCCCN1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732129620 1185687833 /nfs/dbraw/zinc/68/78/33/1185687833.db2.gz UCUPIHMUSKNXHG-UHFFFAOYSA-N 1 3 309.454 0.947 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](O)CNCCF)C1 ZINC001732658629 1185901981 /nfs/dbraw/zinc/90/19/81/1185901981.db2.gz QTXYMKXHOSHJRZ-FZMZJTMJSA-N 1 3 307.385 0.235 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H](O)CNCCF)C1 ZINC001732658629 1185901985 /nfs/dbraw/zinc/90/19/85/1185901985.db2.gz QTXYMKXHOSHJRZ-FZMZJTMJSA-N 1 3 307.385 0.235 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001732747523 1185947757 /nfs/dbraw/zinc/94/77/57/1185947757.db2.gz RQNMPRQXLGFFNX-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732773976 1185960159 /nfs/dbraw/zinc/96/01/59/1185960159.db2.gz LTGCXDFZNVIGHO-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732773976 1185960162 /nfs/dbraw/zinc/96/01/62/1185960162.db2.gz LTGCXDFZNVIGHO-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNC/C=C\Cl)C2)C1 ZINC001733749054 1186430979 /nfs/dbraw/zinc/43/09/79/1186430979.db2.gz FLGOSAFGIKREKN-GMNQABRKSA-N 1 3 315.845 0.898 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H](CNC/C=C\Cl)C2)C1 ZINC001733749054 1186430980 /nfs/dbraw/zinc/43/09/80/1186430980.db2.gz FLGOSAFGIKREKN-GMNQABRKSA-N 1 3 315.845 0.898 20 0 DCADHO COCCCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001733825301 1186463901 /nfs/dbraw/zinc/46/39/01/1186463901.db2.gz LICNHNFPZNWOHY-MRXNPFEDSA-N 1 3 324.425 0.322 20 0 DCADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]CCC2CC2)CC1 ZINC001733889894 1186489008 /nfs/dbraw/zinc/48/90/08/1186489008.db2.gz WBBVFGIAJCPPPU-UHFFFAOYSA-N 1 3 309.454 0.825 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001734427309 1186650097 /nfs/dbraw/zinc/65/00/97/1186650097.db2.gz YOQRSERXNVUHOG-BXUZGUMPSA-N 1 3 319.409 0.057 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001747944308 1188313541 /nfs/dbraw/zinc/31/35/41/1188313541.db2.gz AUTTZFJMXJRECA-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001752767109 1188437316 /nfs/dbraw/zinc/43/73/16/1188437316.db2.gz WJSREZBBLIVXPN-YUELXQCFSA-N 1 3 322.453 0.091 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001753040468 1188481183 /nfs/dbraw/zinc/48/11/83/1188481183.db2.gz XYZKGLZEQQQJDE-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001753040468 1188481187 /nfs/dbraw/zinc/48/11/87/1188481187.db2.gz XYZKGLZEQQQJDE-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001753219516 1188539492 /nfs/dbraw/zinc/53/94/92/1188539492.db2.gz SEZZGGUAQKDLGR-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CC(=O)N(C)CC[NH2+]CCn1cccn1)CC(C)(C)C ZINC001753233089 1188543042 /nfs/dbraw/zinc/54/30/42/1188543042.db2.gz YLRWPSIKAQRSGN-UHFFFAOYSA-N 1 3 309.458 0.909 20 0 DCADHO CN(CC[NH2+]C[C@H](O)Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001753235218 1188543582 /nfs/dbraw/zinc/54/35/82/1188543582.db2.gz BOKSKTHZALQLOG-MRXNPFEDSA-N 1 3 316.405 0.604 20 0 DCADHO CN(CC[NH2+]Cc1ccc2nonc2c1)C(=O)CN1CCCC1 ZINC001753262023 1188552660 /nfs/dbraw/zinc/55/26/60/1188552660.db2.gz OTSJUKMXQWFEOK-UHFFFAOYSA-N 1 3 317.393 0.867 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)CN2CCCC2)n1 ZINC001753261684 1188552790 /nfs/dbraw/zinc/55/27/90/1188552790.db2.gz BBUNYKRIADYQCP-UHFFFAOYSA-N 1 3 307.442 0.644 20 0 DCADHO CCN1CC[C@@H](NC/C=C/CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001754162685 1188765396 /nfs/dbraw/zinc/76/53/96/1188765396.db2.gz AKXPRMNEYZXGKG-MBVDDHJVSA-N 1 3 322.453 0.211 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CCCCCF)C1 ZINC001755009318 1188994873 /nfs/dbraw/zinc/99/48/73/1188994873.db2.gz JAEAYBYBBOCYLP-AWEZNQCLSA-N 1 3 312.389 0.909 20 0 DCADHO CCOCCN1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001755377589 1189095767 /nfs/dbraw/zinc/09/57/67/1189095767.db2.gz WMMPTUCXHNCULQ-CJNGLKHVSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCCF)C1 ZINC001755458322 1189117002 /nfs/dbraw/zinc/11/70/02/1189117002.db2.gz CIKSXCHAIPSJHL-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CN(C[C@H](O)CNC/C=C/Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755779678 1189209522 /nfs/dbraw/zinc/20/95/22/1189209522.db2.gz NZOJGFAJRBVHPT-WVHFKYGJSA-N 1 3 315.845 0.490 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001759663153 1190255913 /nfs/dbraw/zinc/25/59/13/1190255913.db2.gz UOIBTLGACWBPQE-BEWKBBBFSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)CN(C)C ZINC000314046750 1190399087 /nfs/dbraw/zinc/39/90/87/1190399087.db2.gz STMWTIZQTMYMRN-SWLSCSKDSA-N 1 3 314.451 0.911 20 0 DCADHO CN1CCN(CCCNC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000316024422 1190411608 /nfs/dbraw/zinc/41/16/08/1190411608.db2.gz GVVQSUQSMKTWAX-UHFFFAOYSA-N 1 3 304.438 0.555 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001772308780 1190659258 /nfs/dbraw/zinc/65/92/58/1190659258.db2.gz PUEIVEMYBULRFF-NHIYQJMISA-N 1 3 324.469 0.275 20 0 DCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(CN)ncn2)C1 ZINC001164730762 720511575 /nfs/dbraw/zinc/51/15/75/720511575.db2.gz NJMQAOJJLFAUMZ-GFCCVEGCSA-N 1 3 301.398 0.330 20 0 DCADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC001577939779 1164853210 /nfs/dbraw/zinc/85/32/10/1164853210.db2.gz QZNFAQZPCQSCLN-SFYZADRCSA-N 1 3 320.333 0.479 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749555 751341823 /nfs/dbraw/zinc/34/18/23/751341823.db2.gz GCUDFSWTGNMZBS-BNOWGMLFSA-N 1 3 301.406 0.238 20 0 DCADHO CN(C)S(=O)(=O)CCCN[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001578420348 1165008752 /nfs/dbraw/zinc/00/87/52/1165008752.db2.gz HPJSDFKPGYEVJC-YNEHKIRRSA-N 1 3 303.472 0.634 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC(C)(C)C ZINC001127466436 751406959 /nfs/dbraw/zinc/40/69/59/751406959.db2.gz FGKPHBCDMWJLNL-GXTWGEPZSA-N 1 3 324.469 0.337 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643613 751601644 /nfs/dbraw/zinc/60/16/44/751601644.db2.gz CSNRQVKWKPVMLL-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643613 751601651 /nfs/dbraw/zinc/60/16/51/751601651.db2.gz CSNRQVKWKPVMLL-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CCCC1 ZINC001127653401 751606723 /nfs/dbraw/zinc/60/67/23/751606723.db2.gz VJXIYTVIZYOCJV-UMVBOHGHSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CCCC1 ZINC001127653401 751606733 /nfs/dbraw/zinc/60/67/33/751606733.db2.gz VJXIYTVIZYOCJV-UMVBOHGHSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc(C(N)=O)cc2)CC[N@@H+]1C ZINC001127685328 751627541 /nfs/dbraw/zinc/62/75/41/751627541.db2.gz NNOSBLHBRSYIDQ-IUODEOHRSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc(C(N)=O)cc2)CC[N@H+]1C ZINC001127685328 751627546 /nfs/dbraw/zinc/62/75/46/751627546.db2.gz NNOSBLHBRSYIDQ-IUODEOHRSA-N 1 3 318.421 0.332 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127689903 751637597 /nfs/dbraw/zinc/63/75/97/751637597.db2.gz BDQGGGBWOIDAAU-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127689903 751637600 /nfs/dbraw/zinc/63/76/00/751637600.db2.gz BDQGGGBWOIDAAU-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001127695289 751642955 /nfs/dbraw/zinc/64/29/55/751642955.db2.gz IRSDSEGVDFYTQJ-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC2CCCC2)CC[N@H+]1C ZINC001127695289 751642962 /nfs/dbraw/zinc/64/29/62/751642962.db2.gz IRSDSEGVDFYTQJ-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO COCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001089869315 751713193 /nfs/dbraw/zinc/71/31/93/751713193.db2.gz JQIVQCPBLMTCPC-HNKHHVNMSA-N 1 3 318.421 0.767 20 0 DCADHO COCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001089869315 751713199 /nfs/dbraw/zinc/71/31/99/751713199.db2.gz JQIVQCPBLMTCPC-HNKHHVNMSA-N 1 3 318.421 0.767 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(C(C)C)C2=O)CC[N@@H+]1C ZINC001127707151 751854670 /nfs/dbraw/zinc/85/46/70/751854670.db2.gz VXYURMRBNORWFE-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(C(C)C)C2=O)CC[N@H+]1C ZINC001127707151 751854679 /nfs/dbraw/zinc/85/46/79/751854679.db2.gz VXYURMRBNORWFE-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224434 747026047 /nfs/dbraw/zinc/02/60/47/747026047.db2.gz JSIOWUPNHIIFBR-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001167232794 747031856 /nfs/dbraw/zinc/03/18/56/747031856.db2.gz QDKFQPROVQSHKY-KGLIPLIRSA-N 1 3 322.453 0.093 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291128 747131349 /nfs/dbraw/zinc/13/13/49/747131349.db2.gz JFCBRRXJNWPPNE-XPKDYRNWSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294343 747136576 /nfs/dbraw/zinc/13/65/76/747136576.db2.gz KLONBKHMSNYODT-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001167626457 747436500 /nfs/dbraw/zinc/43/65/00/747436500.db2.gz BKIFMQPPVMJVHH-GJZGRUSLSA-N 1 3 324.469 0.624 20 0 DCADHO CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433755 747440721 /nfs/dbraw/zinc/44/07/21/747440721.db2.gz WCNRYRPZGPZYKI-MYPHYYIGSA-N 1 3 321.465 0.944 20 0 DCADHO C[NH+]1CCC(CC(=O)NCCCNCc2cnns2)CC1 ZINC001167666740 747465158 /nfs/dbraw/zinc/46/51/58/747465158.db2.gz ARYWDUICZWWLBV-UHFFFAOYSA-N 1 3 311.455 0.866 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001087259229 747572194 /nfs/dbraw/zinc/57/21/94/747572194.db2.gz FVOZQLULCYYUEG-DGCLKSJQSA-N 1 3 321.425 0.494 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001087259229 747572200 /nfs/dbraw/zinc/57/22/00/747572200.db2.gz FVOZQLULCYYUEG-DGCLKSJQSA-N 1 3 321.425 0.494 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318861 748127170 /nfs/dbraw/zinc/12/71/70/748127170.db2.gz RRVKPFIZNHACGX-UHFFFAOYSA-N 1 3 320.441 0.503 20 0 DCADHO [NH3+][C@H]1CN(C(=O)[C@H]2NCCC[C@H]2C(F)(F)F)CC12COC2 ZINC001161511022 748223509 /nfs/dbraw/zinc/22/35/09/748223509.db2.gz VAYDODWZEKPIPM-UTLUCORTSA-N 1 3 307.316 0.103 20 0 DCADHO COc1ccc(-c2nnn[n-]2)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167880967 748459635 /nfs/dbraw/zinc/45/96/35/748459635.db2.gz BRHZGZMJJCWYML-UHFFFAOYSA-N 1 3 304.358 0.550 20 0 DCADHO COc1ccc(-c2nn[n-]n2)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167880967 748459641 /nfs/dbraw/zinc/45/96/41/748459641.db2.gz BRHZGZMJJCWYML-UHFFFAOYSA-N 1 3 304.358 0.550 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993164 749179412 /nfs/dbraw/zinc/17/94/12/749179412.db2.gz CPZWFIZSYDGRHT-OWCLPIDISA-N 1 3 309.454 0.753 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993164 749179418 /nfs/dbraw/zinc/17/94/18/749179418.db2.gz CPZWFIZSYDGRHT-OWCLPIDISA-N 1 3 309.454 0.753 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098462242 761972695 /nfs/dbraw/zinc/97/26/95/761972695.db2.gz KAILGXUDKIROOW-UHFFFAOYSA-N 1 3 303.422 0.583 20 0 DCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465589 749921791 /nfs/dbraw/zinc/92/17/91/749921791.db2.gz KAZVKTDGNRZRNV-OAGGEKHMSA-N 1 3 307.438 0.290 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046010960 750824110 /nfs/dbraw/zinc/82/41/10/750824110.db2.gz XOVYMAKAJGXMTJ-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046010960 750824112 /nfs/dbraw/zinc/82/41/12/750824112.db2.gz XOVYMAKAJGXMTJ-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256724 750947748 /nfs/dbraw/zinc/94/77/48/750947748.db2.gz QUNDOUHHQZANOK-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256724 750947751 /nfs/dbraw/zinc/94/77/51/750947751.db2.gz QUNDOUHHQZANOK-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106840567 751307711 /nfs/dbraw/zinc/30/77/11/751307711.db2.gz UDCZAOFGLGXAEJ-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2ccn(C)n2)[C@H](C)C1 ZINC001106840567 751307718 /nfs/dbraw/zinc/30/77/18/751307718.db2.gz UDCZAOFGLGXAEJ-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO COCCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816850 752359396 /nfs/dbraw/zinc/35/93/96/752359396.db2.gz IXPTVZWSDJBDAV-HOCLYGCPSA-N 1 3 313.442 0.324 20 0 DCADHO COCCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107816850 752359399 /nfs/dbraw/zinc/35/93/99/752359399.db2.gz IXPTVZWSDJBDAV-HOCLYGCPSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748572 752858051 /nfs/dbraw/zinc/85/80/51/752858051.db2.gz FVWOLEUQQRDVPW-QWHCGFSZSA-N 1 3 316.409 0.855 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cn1 ZINC001044959827 752959221 /nfs/dbraw/zinc/95/92/21/752959221.db2.gz OBDGEHPIJFJWJM-GJZGRUSLSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001045200496 753087670 /nfs/dbraw/zinc/08/76/70/753087670.db2.gz DCHYUWFPIHWSKX-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)c1 ZINC001078222419 753119013 /nfs/dbraw/zinc/11/90/13/753119013.db2.gz AGTACOMMQBPWMD-IAGOWNOFSA-N 1 3 317.433 0.933 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)c1 ZINC001078222419 753119018 /nfs/dbraw/zinc/11/90/18/753119018.db2.gz AGTACOMMQBPWMD-IAGOWNOFSA-N 1 3 317.433 0.933 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001045274458 753125326 /nfs/dbraw/zinc/12/53/26/753125326.db2.gz NSSDTAOHHRACNV-HNNXBMFYSA-N 1 3 317.437 0.597 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001045322442 753144673 /nfs/dbraw/zinc/14/46/73/753144673.db2.gz IWXSQBLWTQYKKX-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046009909 753412606 /nfs/dbraw/zinc/41/26/06/753412606.db2.gz FUTDTYHGLQUCJY-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046009909 753412609 /nfs/dbraw/zinc/41/26/09/753412609.db2.gz FUTDTYHGLQUCJY-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncnc2c1CNCC2 ZINC001168707773 753672610 /nfs/dbraw/zinc/67/26/10/753672610.db2.gz RHZGGLQFVQQMTF-UHFFFAOYSA-N 1 3 321.388 0.871 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)CC[N@@H+]1C ZINC001047386190 754234660 /nfs/dbraw/zinc/23/46/60/754234660.db2.gz OISHIWXKANFELV-XGUBFFRZSA-N 1 3 315.433 0.580 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)CC[N@H+]1C ZINC001047386190 754234664 /nfs/dbraw/zinc/23/46/64/754234664.db2.gz OISHIWXKANFELV-XGUBFFRZSA-N 1 3 315.433 0.580 20 0 DCADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CN(CC2CCC2)C[C@@H]1O ZINC001047442403 754286803 /nfs/dbraw/zinc/28/68/03/754286803.db2.gz YSIHMKXNEBYCCW-HOTGVXAUSA-N 1 3 321.465 0.918 20 0 DCADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986039 754564133 /nfs/dbraw/zinc/56/41/33/754564133.db2.gz BHGQKNLBQNZTKK-OLZOCXBDSA-N 1 3 316.409 0.713 20 0 DCADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048587317 754814976 /nfs/dbraw/zinc/81/49/76/754814976.db2.gz KITZCECWRHTJLX-XQLPTFJDSA-N 1 3 322.453 0.043 20 0 DCADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001048587317 754814978 /nfs/dbraw/zinc/81/49/78/754814978.db2.gz KITZCECWRHTJLX-XQLPTFJDSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001168762484 754902065 /nfs/dbraw/zinc/90/20/65/754902065.db2.gz CQAWABFHHLBQFO-GFCCVEGCSA-N 1 3 307.385 0.848 20 0 DCADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832498 754966804 /nfs/dbraw/zinc/96/68/04/754966804.db2.gz BZVVUMSJTALBHX-FZKCQIBNSA-N 1 3 307.438 0.648 20 0 DCADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832498 754966809 /nfs/dbraw/zinc/96/68/09/754966809.db2.gz BZVVUMSJTALBHX-FZKCQIBNSA-N 1 3 307.438 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001049082190 755108328 /nfs/dbraw/zinc/10/83/28/755108328.db2.gz FYPGRKXJBOHAMB-MELADBBJSA-N 1 3 304.394 0.379 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001049082190 755108332 /nfs/dbraw/zinc/10/83/32/755108332.db2.gz FYPGRKXJBOHAMB-MELADBBJSA-N 1 3 304.394 0.379 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC1 ZINC001083908643 755449390 /nfs/dbraw/zinc/44/93/90/755449390.db2.gz OMBIGCSOQJVHFE-CVEARBPZSA-N 1 3 309.454 0.678 20 0 DCADHO Cn1cc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001052931997 755872274 /nfs/dbraw/zinc/87/22/74/755872274.db2.gz FHWSONFSCLCBLW-JKSUJKDBSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001052931997 755872280 /nfs/dbraw/zinc/87/22/80/755872280.db2.gz FHWSONFSCLCBLW-JKSUJKDBSA-N 1 3 319.453 0.843 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001079803906 756012540 /nfs/dbraw/zinc/01/25/40/756012540.db2.gz NHYHHCSJFMQZSO-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001079803906 756012547 /nfs/dbraw/zinc/01/25/47/756012547.db2.gz NHYHHCSJFMQZSO-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079931328 756051307 /nfs/dbraw/zinc/05/13/07/756051307.db2.gz QDUXZLKMSQPRFR-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079931328 756051309 /nfs/dbraw/zinc/05/13/09/756051309.db2.gz QDUXZLKMSQPRFR-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079943736 756062319 /nfs/dbraw/zinc/06/23/19/756062319.db2.gz LTMKWLCPQUABEL-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001080192472 756124957 /nfs/dbraw/zinc/12/49/57/756124957.db2.gz NBESBUWBOJEEEB-RHSMWYFYSA-N 1 3 319.449 0.833 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080383631 756185333 /nfs/dbraw/zinc/18/53/33/756185333.db2.gz OAUCVPJNBUUEIG-GDBMZVCRSA-N 1 3 319.453 0.661 20 0 DCADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080384133 756186028 /nfs/dbraw/zinc/18/60/28/756186028.db2.gz LNULGKJIRTVSPP-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001054296318 756426156 /nfs/dbraw/zinc/42/61/56/756426156.db2.gz ZJHZQQJRJYWMGD-ILXRZTDVSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C)cn1 ZINC001082450073 757139289 /nfs/dbraw/zinc/13/92/89/757139289.db2.gz VMDVPSRLJLBKQC-WQVCFCJDSA-N 1 3 317.437 0.816 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082559583 757186683 /nfs/dbraw/zinc/18/66/83/757186683.db2.gz JTMSNGGIBXWHES-WQVCFCJDSA-N 1 3 319.453 0.697 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001082748459 757240542 /nfs/dbraw/zinc/24/05/42/757240542.db2.gz MXBUABRFCDFQGX-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001082724913 757245420 /nfs/dbraw/zinc/24/54/20/757245420.db2.gz VLAGOCSDXALUFC-BZUAXINKSA-N 1 3 321.469 0.906 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C)n[nH]1 ZINC001082861475 757302711 /nfs/dbraw/zinc/30/27/11/757302711.db2.gz CCSUMEXVQSDJDG-MRVWCRGKSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)n[nH]1 ZINC001082861475 757302722 /nfs/dbraw/zinc/30/27/22/757302722.db2.gz CCSUMEXVQSDJDG-MRVWCRGKSA-N 1 3 320.441 0.391 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001050456462 757721951 /nfs/dbraw/zinc/72/19/51/757721951.db2.gz JMWAJWDOIRLMMI-KGLIPLIRSA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)C1 ZINC001084398508 757830201 /nfs/dbraw/zinc/83/02/01/757830201.db2.gz BPUDPBVUURYIOF-IXDOHACOSA-N 1 3 323.481 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)C1 ZINC001084398508 757830211 /nfs/dbraw/zinc/83/02/11/757830211.db2.gz BPUDPBVUURYIOF-IXDOHACOSA-N 1 3 323.481 0.879 20 0 DCADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3c(n2)CNCC3)O1 ZINC001170272917 762588006 /nfs/dbraw/zinc/58/80/06/762588006.db2.gz MCZHDRBFFQYZMO-FMKPAKJESA-N 1 3 306.410 0.864 20 0 DCADHO CO[C@@H](C)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778243 758038418 /nfs/dbraw/zinc/03/84/18/758038418.db2.gz MXACGFKOSYRNRW-RRFJBIMHSA-N 1 3 307.438 0.650 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001051848059 758987306 /nfs/dbraw/zinc/98/73/06/758987306.db2.gz JIENNGHZOZDJSY-HNNXBMFYSA-N 1 3 322.409 0.196 20 0 DCADHO Cc1ccccc1CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986494 759116645 /nfs/dbraw/zinc/11/66/45/759116645.db2.gz LPDWYHQYJXDAOK-IRXDYDNUSA-N 1 3 319.449 0.998 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109115 759185621 /nfs/dbraw/zinc/18/56/21/759185621.db2.gz WKBASZBONTTZAN-INIZCTEOSA-N 1 3 320.481 0.709 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147823254 767851968 /nfs/dbraw/zinc/85/19/68/767851968.db2.gz CITJCKGQTHONIE-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001147886343 767863685 /nfs/dbraw/zinc/86/36/85/767863685.db2.gz UVBPZFAFFPPZSJ-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001147886343 767863691 /nfs/dbraw/zinc/86/36/91/767863691.db2.gz UVBPZFAFFPPZSJ-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO [NH3+]CC[C@@H](O)CN1CCN(CCCOCC(F)(F)F)CC1 ZINC001580284893 1165557794 /nfs/dbraw/zinc/55/77/94/1165557794.db2.gz WPSXOVUHGHYHNH-GFCCVEGCSA-N 1 3 313.364 0.283 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001129326767 759760442 /nfs/dbraw/zinc/76/04/42/759760442.db2.gz CQZWSEKHSWZPSV-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001129326767 759760446 /nfs/dbraw/zinc/76/04/46/759760446.db2.gz CQZWSEKHSWZPSV-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086150957 759768449 /nfs/dbraw/zinc/76/84/49/759768449.db2.gz HVIMFQPTWLZNMJ-XTCFQUFBSA-N 1 3 321.465 0.990 20 0 DCADHO CC(C)N(C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001147977180 767890078 /nfs/dbraw/zinc/89/00/78/767890078.db2.gz MFNUBGGLQSIMNI-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001086271515 759930460 /nfs/dbraw/zinc/93/04/60/759930460.db2.gz BULRFIGOTAXVGG-KBXIAJHMSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001086271515 759930465 /nfs/dbraw/zinc/93/04/65/759930465.db2.gz BULRFIGOTAXVGG-KBXIAJHMSA-N 1 3 317.437 0.974 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)c1 ZINC001086278035 759943972 /nfs/dbraw/zinc/94/39/72/759943972.db2.gz DYUMQKAIJIFKRQ-OTVXOJSOSA-N 1 3 318.421 0.332 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086278468 759945986 /nfs/dbraw/zinc/94/59/86/759945986.db2.gz XWKOQAXAWSRVPH-MQYQWHSLSA-N 1 3 310.442 0.219 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001148577849 768019462 /nfs/dbraw/zinc/01/94/62/768019462.db2.gz GLXKTQJFGJTRDL-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001148577849 768019466 /nfs/dbraw/zinc/01/94/66/768019466.db2.gz GLXKTQJFGJTRDL-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070503560 761279878 /nfs/dbraw/zinc/27/98/78/761279878.db2.gz DGARACIMGAUPQJ-IMJJTQAJSA-N 1 3 321.469 0.910 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001070655227 761378282 /nfs/dbraw/zinc/37/82/82/761378282.db2.gz AQSVBCOYNVKKFH-IIAWOOMASA-N 1 3 319.453 0.664 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001086552009 761842107 /nfs/dbraw/zinc/84/21/07/761842107.db2.gz SPFXNGDKXIXTJB-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001086552009 761842116 /nfs/dbraw/zinc/84/21/16/761842116.db2.gz SPFXNGDKXIXTJB-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001129423691 762935891 /nfs/dbraw/zinc/93/58/91/762935891.db2.gz WGEDOGJTSYZBJG-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001129423691 762935896 /nfs/dbraw/zinc/93/58/96/762935896.db2.gz WGEDOGJTSYZBJG-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC001129450240 762937931 /nfs/dbraw/zinc/93/79/31/762937931.db2.gz YBEBTOXCGHPMBN-HZPDHXFCSA-N 1 3 323.412 0.905 20 0 DCADHO CN(CC(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C1CCC1 ZINC001129532182 762954747 /nfs/dbraw/zinc/95/47/47/762954747.db2.gz UCNIZUYMIKWNFI-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001129950489 763055276 /nfs/dbraw/zinc/05/52/76/763055276.db2.gz VOBGJBMXMYQDJZ-HIFRSBDPSA-N 1 3 312.458 0.195 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cnn(C)c1 ZINC001086999384 768112944 /nfs/dbraw/zinc/11/29/44/768112944.db2.gz DFGXXMFNRBTOCL-UONOGXRCSA-N 1 3 302.382 0.290 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001086995632 768115186 /nfs/dbraw/zinc/11/51/86/768115186.db2.gz NONDECSBXITIFU-ARFHVFGLSA-N 1 3 321.469 0.910 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N[C@H](C)C(C)C ZINC001130419423 763304786 /nfs/dbraw/zinc/30/47/86/763304786.db2.gz ZXMHOPBXDJQLKM-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N[C@H](C)C(C)C ZINC001130419423 763304792 /nfs/dbraw/zinc/30/47/92/763304792.db2.gz ZXMHOPBXDJQLKM-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421824 763294176 /nfs/dbraw/zinc/29/41/76/763294176.db2.gz KRWBTGXNGWGYSJ-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421824 763294185 /nfs/dbraw/zinc/29/41/85/763294185.db2.gz KRWBTGXNGWGYSJ-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001130421877 763294489 /nfs/dbraw/zinc/29/44/89/763294489.db2.gz MLGNDXWEONTBKB-GFCCVEGCSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001130421877 763294496 /nfs/dbraw/zinc/29/44/96/763294496.db2.gz MLGNDXWEONTBKB-GFCCVEGCSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NCC(C)C ZINC001130421593 763294855 /nfs/dbraw/zinc/29/48/55/763294855.db2.gz BDFMJZFHQYIQBC-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NCC(C)C ZINC001130421593 763294859 /nfs/dbraw/zinc/29/48/59/763294859.db2.gz BDFMJZFHQYIQBC-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001130427236 763299088 /nfs/dbraw/zinc/29/90/88/763299088.db2.gz KMHHOJQRCJGBBR-GFCCVEGCSA-N 1 3 308.430 0.202 20 0 DCADHO [NH3+][C@H]1CCc2nn(-c3nc(Cl)nc4c3CCNC4)cc2C1 ZINC001157980250 763354261 /nfs/dbraw/zinc/35/42/61/763354261.db2.gz PSNBIFJMGJYALK-VIFPVBQESA-N 1 3 304.785 0.777 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]Cc3ccnn3C)C2)CCC1 ZINC001100405786 763556355 /nfs/dbraw/zinc/55/63/55/763556355.db2.gz MNCMGIDVQYOYOX-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100459224 763589746 /nfs/dbraw/zinc/58/97/46/763589746.db2.gz VXRPZOBIBNAFRV-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CSc1nc(N[C@@H](C)[C@H]2CNCCO2)cc(C2C[NH2+]C2)n1 ZINC001170565678 763842447 /nfs/dbraw/zinc/84/24/47/763842447.db2.gz WBXUYQHJFYXQCW-JOYOIKCWSA-N 1 3 309.439 0.674 20 0 DCADHO CC(C)CCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519417 763844887 /nfs/dbraw/zinc/84/48/87/763844887.db2.gz DLIIHEDSLGYDDN-ISXOHVOVSA-N 1 3 309.454 0.992 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100904815 763850317 /nfs/dbraw/zinc/85/03/17/763850317.db2.gz IJVFFFMFEZBMRB-UHFFFAOYSA-N 1 3 308.430 0.104 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789912 764012912 /nfs/dbraw/zinc/01/29/12/764012912.db2.gz AUXXIBVRCAJICV-OAHLLOKOSA-N 1 3 310.442 0.093 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050563 768186271 /nfs/dbraw/zinc/18/62/71/768186271.db2.gz XWDLUGBERLDDOY-ZENOOKHLSA-N 1 3 306.410 0.767 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050563 768186273 /nfs/dbraw/zinc/18/62/73/768186273.db2.gz XWDLUGBERLDDOY-ZENOOKHLSA-N 1 3 306.410 0.767 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](O)COC ZINC001155900452 770652380 /nfs/dbraw/zinc/65/23/80/770652380.db2.gz TXYRARXKPPXEBR-KGLIPLIRSA-N 1 3 303.447 0.162 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](O)COC ZINC001155900452 770652385 /nfs/dbraw/zinc/65/23/85/770652385.db2.gz TXYRARXKPPXEBR-KGLIPLIRSA-N 1 3 303.447 0.162 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCn1cccn1 ZINC001132265381 764343535 /nfs/dbraw/zinc/34/35/35/764343535.db2.gz LYZKEGARIMXJTQ-GJZGRUSLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001132287518 764364263 /nfs/dbraw/zinc/36/42/63/764364263.db2.gz YKBUPFBOEXCFMA-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046132 764505848 /nfs/dbraw/zinc/50/58/48/764505848.db2.gz OEHZDKHSYPJSRI-MGPQQGTHSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1(N(C)C)CCC1 ZINC001102046132 764505854 /nfs/dbraw/zinc/50/58/54/764505854.db2.gz OEHZDKHSYPJSRI-MGPQQGTHSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294062 764581129 /nfs/dbraw/zinc/58/11/29/764581129.db2.gz GGAQYWNHTMJTNQ-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320670 764596542 /nfs/dbraw/zinc/59/65/42/764596542.db2.gz NNPWSZRVOXKAGN-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001132738427 764617370 /nfs/dbraw/zinc/61/73/70/764617370.db2.gz CMRANSAKLKGMAV-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001132738427 764617371 /nfs/dbraw/zinc/61/73/71/764617371.db2.gz CMRANSAKLKGMAV-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102475611 764658143 /nfs/dbraw/zinc/65/81/43/764658143.db2.gz WJCZPQJZZSZLCH-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102475611 764658146 /nfs/dbraw/zinc/65/81/46/764658146.db2.gz WJCZPQJZZSZLCH-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H]2CN(C(C)C)CCO2)o1 ZINC001132848685 764691386 /nfs/dbraw/zinc/69/13/86/764691386.db2.gz OSTXYEKCBOLMTR-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)o1 ZINC001132848685 764691392 /nfs/dbraw/zinc/69/13/92/764691392.db2.gz OSTXYEKCBOLMTR-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)o1 ZINC001132848685 764691399 /nfs/dbraw/zinc/69/13/99/764691399.db2.gz OSTXYEKCBOLMTR-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001132889137 764709721 /nfs/dbraw/zinc/70/97/21/764709721.db2.gz XFXWBZYNHQAFFK-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001132893450 764713483 /nfs/dbraw/zinc/71/34/83/764713483.db2.gz REEWFSIEIPCXBK-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001132893450 764713491 /nfs/dbraw/zinc/71/34/91/764713491.db2.gz REEWFSIEIPCXBK-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC2CCCCC2)CC1 ZINC001132993523 764781840 /nfs/dbraw/zinc/78/18/40/764781840.db2.gz XYPKOOMJLLGQAX-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)[NH+](CC)CC ZINC001133690499 765096000 /nfs/dbraw/zinc/09/60/00/765096000.db2.gz NBNVGZHTHOVKKZ-QWHCGFSZSA-N 1 3 300.447 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCOCC(F)(F)F)C1 ZINC001133849663 765181497 /nfs/dbraw/zinc/18/14/97/765181497.db2.gz BMDZEISIHLCIBK-NSHDSACASA-N 1 3 311.348 0.613 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133819574 765149880 /nfs/dbraw/zinc/14/98/80/765149880.db2.gz HTWQEIZBCHWZJN-ZDUSSCGKSA-N 1 3 318.421 0.476 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133819574 765149886 /nfs/dbraw/zinc/14/98/86/765149886.db2.gz HTWQEIZBCHWZJN-ZDUSSCGKSA-N 1 3 318.421 0.476 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001133853888 765171315 /nfs/dbraw/zinc/17/13/15/765171315.db2.gz SDLCFOWCPMNBNZ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001133853888 765171321 /nfs/dbraw/zinc/17/13/21/765171321.db2.gz SDLCFOWCPMNBNZ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCC[C@@H]2C)C1 ZINC001133853966 765173249 /nfs/dbraw/zinc/17/32/49/765173249.db2.gz VACRJSRWLMCXEV-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCC[C@@H]2C)C1 ZINC001133853966 765173255 /nfs/dbraw/zinc/17/32/55/765173255.db2.gz VACRJSRWLMCXEV-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001133856454 765182814 /nfs/dbraw/zinc/18/28/14/765182814.db2.gz GBQWMSDAHVBTNY-ABAIWWIYSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001133856454 765182817 /nfs/dbraw/zinc/18/28/17/765182817.db2.gz GBQWMSDAHVBTNY-ABAIWWIYSA-N 1 3 316.421 0.169 20 0 DCADHO COC[C@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856759 765183340 /nfs/dbraw/zinc/18/33/40/765183340.db2.gz PZXVUKQZYUIMDT-SWLSCSKDSA-N 1 3 303.422 0.940 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133863832 765189925 /nfs/dbraw/zinc/18/99/25/765189925.db2.gz PWFQEUCUSLRKRX-QWHCGFSZSA-N 1 3 312.458 0.052 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133863832 765189927 /nfs/dbraw/zinc/18/99/27/765189927.db2.gz PWFQEUCUSLRKRX-QWHCGFSZSA-N 1 3 312.458 0.052 20 0 DCADHO CCNC(=O)CNCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893684 765213833 /nfs/dbraw/zinc/21/38/33/765213833.db2.gz LVODSKHYXQEICS-UHFFFAOYSA-N 1 3 320.437 0.246 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCCO[C@H]1CCOC1)N(C)C ZINC001133965689 765258410 /nfs/dbraw/zinc/25/84/10/765258410.db2.gz FIPOCDVYJFZJTI-KBPBESRZSA-N 1 3 301.431 0.228 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001133965938 765259276 /nfs/dbraw/zinc/25/92/76/765259276.db2.gz QCXSUGYGBWZRCY-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1)N(C)C ZINC001112413247 765528708 /nfs/dbraw/zinc/52/87/08/765528708.db2.gz FBPKUNOOIYQDOB-ZOBUZTSGSA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)N(C)C ZINC001112413368 765528827 /nfs/dbraw/zinc/52/88/27/765528827.db2.gz KSZCIXNSRRJTMD-QRTARXTBSA-N 1 3 324.469 0.276 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CCC4)C[C@H]32)C1 ZINC001115241472 765657304 /nfs/dbraw/zinc/65/73/04/765657304.db2.gz ILNBEJVRFQXYAA-MWDXBVQZSA-N 1 3 321.465 0.801 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CCC4)C[C@H]32)C1 ZINC001115241472 765657307 /nfs/dbraw/zinc/65/73/07/765657307.db2.gz ILNBEJVRFQXYAA-MWDXBVQZSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H](C(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+]1CCCCCC1 ZINC001134756252 765668389 /nfs/dbraw/zinc/66/83/89/765668389.db2.gz BKCHTHOYHKMTOR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCCCC1 ZINC001134757393 765668916 /nfs/dbraw/zinc/66/89/16/765668916.db2.gz OQLMABKDPWIZHL-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CC(N)=O)CCCCC2)CCC1 ZINC001115571797 765760364 /nfs/dbraw/zinc/76/03/64/765760364.db2.gz PEZQJEVUOHTRGE-UHFFFAOYSA-N 1 3 310.442 0.365 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001124878485 768321181 /nfs/dbraw/zinc/32/11/81/768321181.db2.gz MZKSRGRXZMIESI-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001135743327 766085775 /nfs/dbraw/zinc/08/57/75/766085775.db2.gz ISXCBBWKDIXENC-KBPBESRZSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NCc1nccn1C ZINC001135937846 766176152 /nfs/dbraw/zinc/17/61/52/766176152.db2.gz ASBFTDMEGXRYAR-KBPBESRZSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1C(=O)NN=C2COc3ccc(N[C@@H](N)CCC[NH3+])cc3N21 ZINC001170900200 766251003 /nfs/dbraw/zinc/25/10/03/766251003.db2.gz JMEBBSDVYSLNPD-TVQRCGJNSA-N 1 3 318.381 0.153 20 0 DCADHO N[C@@H](CCC[NH3+])Nc1cnc(=O)n(Cc2ccc(F)cc2)c1 ZINC001170902915 766251415 /nfs/dbraw/zinc/25/14/15/766251415.db2.gz HHNRJPPOBQXVRB-CQSZACIVSA-N 1 3 305.357 0.866 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC001119296883 766628402 /nfs/dbraw/zinc/62/84/02/766628402.db2.gz HALKBZYBOWQQRD-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001171261399 767328245 /nfs/dbraw/zinc/32/82/45/767328245.db2.gz UQBYXOMZGIDDEW-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001171261396 767328323 /nfs/dbraw/zinc/32/83/23/767328323.db2.gz UQBYXOMZGIDDEW-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001160883476 767374338 /nfs/dbraw/zinc/37/43/38/767374338.db2.gz NWSRBNVBGVTERU-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001121318269 767510995 /nfs/dbraw/zinc/51/09/95/767510995.db2.gz BYWPHLHWUQPJMB-WVAMNSNQSA-N 1 3 324.469 0.608 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCN1CCc2ccccc2C1 ZINC001121982913 767688520 /nfs/dbraw/zinc/68/85/20/767688520.db2.gz HIOTXGNNLFENCF-PBHICJAKSA-N 1 3 319.449 0.767 20 0 DCADHO CN1CC[C@H](NCCNC(=O)C2CC[NH+](CC3CC3)CC2)C1=O ZINC001147301260 767697519 /nfs/dbraw/zinc/69/75/19/767697519.db2.gz QJKCXRDAXXSHKV-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133330 768458297 /nfs/dbraw/zinc/45/82/97/768458297.db2.gz BMUZXCLFDWWAJT-MGPQQGTHSA-N 1 3 322.453 0.030 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCc1ccnn1C ZINC001161226559 768696531 /nfs/dbraw/zinc/69/65/31/768696531.db2.gz IPJZKXUFOWBFIO-UHFFFAOYSA-N 1 3 309.458 0.789 20 0 DCADHO N[C@@H](CSCC[NH3+])c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001206631178 768735919 /nfs/dbraw/zinc/73/59/19/768735919.db2.gz QWJUAYKDHRFASS-JTQLQIEISA-N 1 3 320.422 0.469 20 0 DCADHO COC[C@@H](C)N1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195097 769033495 /nfs/dbraw/zinc/03/34/95/769033495.db2.gz XULPZQWPOMKNSF-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H](O)CN1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606818 769137909 /nfs/dbraw/zinc/13/79/09/769137909.db2.gz LIMUMUYDFLIHCG-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CO[C@H](C)C[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150776989 769182778 /nfs/dbraw/zinc/18/27/78/769182778.db2.gz BYTRWBHGJZIKAZ-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO CO[C@H](C)C[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150776989 769182780 /nfs/dbraw/zinc/18/27/80/769182780.db2.gz BYTRWBHGJZIKAZ-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001151049365 769245260 /nfs/dbraw/zinc/24/52/60/769245260.db2.gz MQYIPLHRLHFFES-CQSZACIVSA-N 1 3 305.426 0.305 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001151049365 769245267 /nfs/dbraw/zinc/24/52/67/769245267.db2.gz MQYIPLHRLHFFES-CQSZACIVSA-N 1 3 305.426 0.305 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccco1 ZINC001151064680 769249851 /nfs/dbraw/zinc/24/98/51/769249851.db2.gz CYGHIEYMMGBLOF-STQMWFEESA-N 1 3 322.409 0.114 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccco1 ZINC001151064680 769249856 /nfs/dbraw/zinc/24/98/56/769249856.db2.gz CYGHIEYMMGBLOF-STQMWFEESA-N 1 3 322.409 0.114 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCc2ccc3nonc3c2)C1 ZINC001151065852 769250949 /nfs/dbraw/zinc/25/09/49/769250949.db2.gz NSOCBGWWBZNQRM-LBPRGKRZSA-N 1 3 303.366 0.380 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCc2ccc3nonc3c2)C1 ZINC001151065852 769250953 /nfs/dbraw/zinc/25/09/53/769250953.db2.gz NSOCBGWWBZNQRM-LBPRGKRZSA-N 1 3 303.366 0.380 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001151074448 769253044 /nfs/dbraw/zinc/25/30/44/769253044.db2.gz YUDLEIDWZBSQNV-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001151074448 769253049 /nfs/dbraw/zinc/25/30/49/769253049.db2.gz YUDLEIDWZBSQNV-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](C(=O)NC1(CCOC)CC[NH+](CCO)CC1)N(C)C ZINC001151312101 769310711 /nfs/dbraw/zinc/31/07/11/769310711.db2.gz HOVZBBFTLLFDOF-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC ZINC001171586332 769316447 /nfs/dbraw/zinc/31/64/47/769316447.db2.gz LXUANANOCMKTOP-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)CCC ZINC001171769915 769373039 /nfs/dbraw/zinc/37/30/39/769373039.db2.gz HTSGHODSVLBSHS-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO c1cc(-c2noc(C3=NO[C@H]4C[NH2+]C[C@@H]34)n2)nc2c1CNCC2 ZINC001212628549 769386414 /nfs/dbraw/zinc/38/64/14/769386414.db2.gz CVHCFGYWQFVHBK-SKDRFNHKSA-N 1 3 312.333 0.100 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152138386 769489610 /nfs/dbraw/zinc/48/96/10/769489610.db2.gz WQNPBOYXHOALHS-BETUJISGSA-N 1 3 307.442 0.807 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152138386 769489613 /nfs/dbraw/zinc/48/96/13/769489613.db2.gz WQNPBOYXHOALHS-BETUJISGSA-N 1 3 307.442 0.807 20 0 DCADHO C[C@@H](NCCNC(=O)CCC[NH+]1CCCC1)C(=O)NC1CC1 ZINC001152237566 769514401 /nfs/dbraw/zinc/51/44/01/769514401.db2.gz PXLORWWDEWPZDZ-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO COc1cccc2c1C[C@H](NCCC[NH+](CCO)CCO)CO2 ZINC001173144915 769546908 /nfs/dbraw/zinc/54/69/08/769546908.db2.gz OJCYGZJJVCPLKZ-AWEZNQCLSA-N 1 3 324.421 0.265 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001152432099 769553564 /nfs/dbraw/zinc/55/35/64/769553564.db2.gz FQWWGNGEGCBKIO-UHFFFAOYSA-N 1 3 301.822 0.583 20 0 DCADHO COCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345841 769631268 /nfs/dbraw/zinc/63/12/68/769631268.db2.gz LTFZDOJDMVQLNU-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@@H]1C(=O)OC ZINC001173574628 769675531 /nfs/dbraw/zinc/67/55/31/769675531.db2.gz VVCMTKCYLQUHGK-XGFWRYKXSA-N 1 3 312.410 0.657 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@@H]1C(=O)OC ZINC001173574628 769675536 /nfs/dbraw/zinc/67/55/36/769675536.db2.gz VVCMTKCYLQUHGK-XGFWRYKXSA-N 1 3 312.410 0.657 20 0 DCADHO c1cc(N2CC[NH2+]CC2)ncc1CN1CC[C@@H]2OCCN[C@H]2C1 ZINC001235210049 769780935 /nfs/dbraw/zinc/78/09/35/769780935.db2.gz JJHKGMJBDSWIOQ-HOTGVXAUSA-N 1 3 317.437 0.054 20 0 DCADHO CCCNC(=O)CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314593 769781868 /nfs/dbraw/zinc/78/18/68/769781868.db2.gz OWNKPRICYPZONC-UHFFFAOYSA-N 1 3 312.458 0.485 20 0 DCADHO C[NH2+]CCCN1CCCn2cnc(CNC3CCOCC3)c2C1 ZINC001235652885 769926342 /nfs/dbraw/zinc/92/63/42/769926342.db2.gz KMGKRSYZNOILTJ-UHFFFAOYSA-N 1 3 321.469 0.967 20 0 DCADHO CN1CCN(C(=O)C2CC[NH+](C[C@@H]3CNC(C)(C)O3)CC2)CC1 ZINC001235793749 769947340 /nfs/dbraw/zinc/94/73/40/769947340.db2.gz AWMXHDOQJCEBJC-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828918 769951945 /nfs/dbraw/zinc/95/19/45/769951945.db2.gz RYTCTDRGAAXOIX-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828918 769951951 /nfs/dbraw/zinc/95/19/51/769951951.db2.gz RYTCTDRGAAXOIX-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C ZINC001175768133 769958816 /nfs/dbraw/zinc/95/88/16/769958816.db2.gz LEPFRDKEDPPCOA-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001175769325 769959536 /nfs/dbraw/zinc/95/95/36/769959536.db2.gz QSTISZACYRPPQK-OLZOCXBDSA-N 1 3 300.447 0.467 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001175769326 769959639 /nfs/dbraw/zinc/95/96/39/769959639.db2.gz QSTISZACYRPPQK-QWHCGFSZSA-N 1 3 300.447 0.467 20 0 DCADHO [NH3+]CCCCN1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001236043680 769971952 /nfs/dbraw/zinc/97/19/52/769971952.db2.gz DDWDQQNROJDTQF-UHFFFAOYSA-N 1 3 304.442 0.938 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](O)COC)N(C)C ZINC001154000805 770032166 /nfs/dbraw/zinc/03/21/66/770032166.db2.gz JXYKRWGRXVKGHK-MGPQQGTHSA-N 1 3 303.447 0.161 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](O)COC)N(C)C ZINC001154000805 770032179 /nfs/dbraw/zinc/03/21/79/770032179.db2.gz JXYKRWGRXVKGHK-MGPQQGTHSA-N 1 3 303.447 0.161 20 0 DCADHO CCN1CCN(c2ccc(NS(=O)(=O)CC[NH3+])cc2)CC1 ZINC001237598042 770059153 /nfs/dbraw/zinc/05/91/53/770059153.db2.gz ARKJKEKFLGYNLE-UHFFFAOYSA-N 1 3 312.439 0.529 20 0 DCADHO NCCS(=O)(=O)Nc1ccc(OC2CC[NH2+]CC2)c(F)c1 ZINC001237856741 770085403 /nfs/dbraw/zinc/08/54/03/770085403.db2.gz IRRRRLHKZHSESJ-UHFFFAOYSA-N 1 3 317.386 0.657 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccncc1 ZINC001238239036 770108937 /nfs/dbraw/zinc/10/89/37/770108937.db2.gz BIXCPWKRIUDALR-LBPRGKRZSA-N 1 3 310.423 0.234 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccncc1 ZINC001238239036 770108945 /nfs/dbraw/zinc/10/89/45/770108945.db2.gz BIXCPWKRIUDALR-LBPRGKRZSA-N 1 3 310.423 0.234 20 0 DCADHO [NH3+]CCS(=O)(=O)NC1CCN(CCc2ccccc2)CC1 ZINC001238629335 770122183 /nfs/dbraw/zinc/12/21/83/770122183.db2.gz XSQPQIDDXWLXDM-UHFFFAOYSA-N 1 3 311.451 0.572 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753303 770167793 /nfs/dbraw/zinc/16/77/93/770167793.db2.gz FOHMMZLHNDOSPX-ZIAGYGMSSA-N 1 3 314.474 0.726 20 0 DCADHO CCOC(=O)CCCCCNC(=O)NCCC[NH2+]CCCN ZINC001239252317 770202404 /nfs/dbraw/zinc/20/24/04/770202404.db2.gz CKZFSEAFGOEUBB-UHFFFAOYSA-N 1 3 316.446 0.738 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890109 770212343 /nfs/dbraw/zinc/21/23/43/770212343.db2.gz MZNPDWDPDXFJQS-INIZCTEOSA-N 1 3 323.437 0.465 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccnn1C ZINC001176986909 770274085 /nfs/dbraw/zinc/27/40/85/770274085.db2.gz YFISWLNXCCETQO-OAHLLOKOSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986502 770274531 /nfs/dbraw/zinc/27/45/31/770274531.db2.gz PZZSBCSROLVSOF-OAHLLOKOSA-N 1 3 317.474 0.456 20 0 DCADHO FC(F)(F)c1nn(-c2cc3c(nn2)CC[NH2+]C3)c2c1CNCC2 ZINC001154845590 770313128 /nfs/dbraw/zinc/31/31/28/770313128.db2.gz DAFKWYKXPVJZIV-UHFFFAOYSA-N 1 3 324.310 0.973 20 0 DCADHO CN1CCO[C@@H](CNc2cccc(N3CCC([NH3+])CC3)n2)C1 ZINC001155197744 770427343 /nfs/dbraw/zinc/42/73/43/770427343.db2.gz RNKSJRJULJBACZ-AWEZNQCLSA-N 1 3 305.426 0.752 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](O)COC)N(C)C ZINC001155289107 770461985 /nfs/dbraw/zinc/46/19/85/770461985.db2.gz JXYKRWGRXVKGHK-RDBSUJKOSA-N 1 3 303.447 0.161 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](O)COC)N(C)C ZINC001155289107 770461978 /nfs/dbraw/zinc/46/19/78/770461978.db2.gz JXYKRWGRXVKGHK-RDBSUJKOSA-N 1 3 303.447 0.161 20 0 DCADHO CN(C)Cc1ccnc(NCc2nnn3c2C[NH2+]CCC3)c1 ZINC001155399668 770491213 /nfs/dbraw/zinc/49/12/13/770491213.db2.gz DVRIUBCBPFRTHF-UHFFFAOYSA-N 1 3 301.398 0.840 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001178815891 770884351 /nfs/dbraw/zinc/88/43/51/770884351.db2.gz NHIMWCAHJNNGAQ-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)[C@@H]1C)N(C)C ZINC001178990010 770922880 /nfs/dbraw/zinc/92/28/80/770922880.db2.gz DVEDXTCYMNGZIN-MELADBBJSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](CCF)[C@H](C)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC001156908431 770962658 /nfs/dbraw/zinc/96/26/58/770962658.db2.gz YGMPVJAUEYGRBL-UONOGXRCSA-N 1 3 303.422 0.751 20 0 DCADHO CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC001156908431 770962663 /nfs/dbraw/zinc/96/26/63/770962663.db2.gz YGMPVJAUEYGRBL-UONOGXRCSA-N 1 3 303.422 0.751 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@@H]1C ZINC001179861155 771030370 /nfs/dbraw/zinc/03/03/70/771030370.db2.gz NQNHSOSNGMKSSD-AAEUAGOBSA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@@H]1C ZINC001179861155 771030377 /nfs/dbraw/zinc/03/03/77/771030377.db2.gz NQNHSOSNGMKSSD-AAEUAGOBSA-N 1 3 308.430 0.534 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179924913 771034636 /nfs/dbraw/zinc/03/46/36/771034636.db2.gz GTRHJKCDEWKANZ-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924913 771034643 /nfs/dbraw/zinc/03/46/43/771034643.db2.gz GTRHJKCDEWKANZ-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929126 771036163 /nfs/dbraw/zinc/03/61/63/771036163.db2.gz DARRBSNPGKXETF-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(N)=O ZINC001180132005 771061348 /nfs/dbraw/zinc/06/13/48/771061348.db2.gz RKTIEMRZPLQLRM-KKUMJFAQSA-N 1 3 324.469 0.705 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CCCCCC2)C1 ZINC001151065989 771357474 /nfs/dbraw/zinc/35/74/74/771357474.db2.gz OZNYLGNMZBISGZ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CCCCCC2)C1 ZINC001151065989 771357479 /nfs/dbraw/zinc/35/74/79/771357479.db2.gz OZNYLGNMZBISGZ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692086 771534558 /nfs/dbraw/zinc/53/45/58/771534558.db2.gz BNHMWPPEYLKJHL-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182692086 771534562 /nfs/dbraw/zinc/53/45/62/771534562.db2.gz BNHMWPPEYLKJHL-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183266559 771631025 /nfs/dbraw/zinc/63/10/25/771631025.db2.gz DHWZTJFDIRDPFP-UKRRQHHQSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288695 771632355 /nfs/dbraw/zinc/63/23/55/771632355.db2.gz KONFGAOLFHRACG-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(N1CCC(=O)[C@@H]2CCCC[C@@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157566961 771634237 /nfs/dbraw/zinc/63/42/37/771634237.db2.gz HIRORIFPWZOFHR-VWPFQQQWSA-N 1 3 305.422 0.546 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001157715331 771657429 /nfs/dbraw/zinc/65/74/29/771657429.db2.gz DQHXMEUNNPCAJJ-INIZCTEOSA-N 1 3 303.406 0.322 20 0 DCADHO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1)C1CC1 ZINC001183648269 771675675 /nfs/dbraw/zinc/67/56/75/771675675.db2.gz RPLGYSQLQWULRW-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001157844973 771679052 /nfs/dbraw/zinc/67/90/52/771679052.db2.gz YYXJYCCAAZUOAM-DGAVXFQQSA-N 1 3 312.458 0.450 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001183758977 771696389 /nfs/dbraw/zinc/69/63/89/771696389.db2.gz CMTWCSYNRCYJQV-OAHLLOKOSA-N 1 3 321.469 0.883 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001183765434 771698430 /nfs/dbraw/zinc/69/84/30/771698430.db2.gz SLLRUSHHIQVKHM-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158185691 771736180 /nfs/dbraw/zinc/73/61/80/771736180.db2.gz AQJGCURUJAPEAK-RDBSUJKOSA-N 1 3 316.405 0.637 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001158202124 771739469 /nfs/dbraw/zinc/73/94/69/771739469.db2.gz BUFZESVBHXHUEV-MRXNPFEDSA-N 1 3 317.437 0.723 20 0 DCADHO COC(=O)c1c[nH]c2nc(-n3cncc3C[C@@H]([NH3+])CO)ccc12 ZINC001158204191 771740400 /nfs/dbraw/zinc/74/04/00/771740400.db2.gz MHEVNDGUOTZMGC-SECBINFHSA-N 1 3 315.333 0.397 20 0 DCADHO N[C@@H](CC1CCC1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277025 771751335 /nfs/dbraw/zinc/75/13/35/771751335.db2.gz HIXRLXDIPFURNS-ZDUSSCGKSA-N 1 3 318.425 0.217 20 0 DCADHO O=C(C[C@H]1C[NH2+]CCO1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336385 771761014 /nfs/dbraw/zinc/76/10/14/771761014.db2.gz JZVBQDKHHNXILG-CWRNSKLLSA-N 1 3 301.390 0.463 20 0 DCADHO [NH3+]CCOCCOCC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336458 771761046 /nfs/dbraw/zinc/76/10/46/771761046.db2.gz LUMXBZNSDCJGMH-JKSUJKDBSA-N 1 3 319.405 0.076 20 0 DCADHO CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184423259 771787175 /nfs/dbraw/zinc/78/71/75/771787175.db2.gz CCEBWUGYZVLDFM-DGNOSDGRSA-N 1 3 323.437 0.077 20 0 DCADHO CN1CCC(N(c2cc(C(N)=O)ccn2)C2CC[NH2+]CC2)CC1 ZINC001158575109 771791564 /nfs/dbraw/zinc/79/15/64/771791564.db2.gz KBPLBKPNWCDINC-UHFFFAOYSA-N 1 3 317.437 0.833 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)c3cncc4c3CCNC4)C[C@H]2CF)CC1 ZINC001158582765 771792747 /nfs/dbraw/zinc/79/27/47/771792747.db2.gz OMAFDFPNEWNUAQ-IAQYHMDHSA-N 1 3 318.396 0.876 20 0 DCADHO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001184877083 771841226 /nfs/dbraw/zinc/84/12/26/771841226.db2.gz QVPRGXWINNUHHI-NWANDNLSSA-N 1 3 322.453 0.186 20 0 DCADHO CCOC[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])Cc2cnn(C)c21 ZINC001159401759 771905284 /nfs/dbraw/zinc/90/52/84/771905284.db2.gz CJKPDXXBRBNHAY-KBPBESRZSA-N 1 3 323.441 0.339 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401577 771911684 /nfs/dbraw/zinc/91/16/84/771911684.db2.gz STVNDKMAAZJTPH-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CCCC1 ZINC001185401892 771911714 /nfs/dbraw/zinc/91/17/14/771911714.db2.gz YFUHMMFSVGNRAW-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(C)(C)C ZINC001185401440 771911740 /nfs/dbraw/zinc/91/17/40/771911740.db2.gz QDSKQBMSTBSQEY-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1CCCN(C(=O)CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001185408857 771916931 /nfs/dbraw/zinc/91/69/31/771916931.db2.gz YVFFFHCXIBLWBM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185610496 771935370 /nfs/dbraw/zinc/93/53/70/771935370.db2.gz YMHRRQXJGZTURS-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185716549 771948513 /nfs/dbraw/zinc/94/85/13/771948513.db2.gz YNVQETVZLBFYDV-MCIONIFRSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)CC(C)(C)C ZINC001185731280 771950710 /nfs/dbraw/zinc/95/07/10/771950710.db2.gz PCOODYKSQMSGCS-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1)C1CC1 ZINC001159916250 771976680 /nfs/dbraw/zinc/97/66/80/771976680.db2.gz PUAAZVXFDZLAEW-MRXNPFEDSA-N 1 3 320.437 0.321 20 0 DCADHO COc1cc(CNCCCNC(=O)[C@@H](C2CC2)[NH+](C)C)on1 ZINC001159933110 771981311 /nfs/dbraw/zinc/98/13/11/771981311.db2.gz ZLZZFISRLPQBKJ-CQSZACIVSA-N 1 3 310.398 0.619 20 0 DCADHO O=C(N(CCO)Cc1cccs1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160443082 772040505 /nfs/dbraw/zinc/04/05/05/772040505.db2.gz CNHZFVUWIMVPIE-IUODEOHRSA-N 1 3 309.435 0.268 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649341 772086911 /nfs/dbraw/zinc/08/69/11/772086911.db2.gz IWJZNGKGBSLLHB-ZNMIVQPWSA-N 1 3 309.385 0.689 20 0 DCADHO COc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]CC23CNC3)c(OC)c1 ZINC001160675451 772091676 /nfs/dbraw/zinc/09/16/76/772091676.db2.gz CBDLQSDBQSMEGX-AWEZNQCLSA-N 1 3 319.405 0.471 20 0 DCADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001160696379 772098183 /nfs/dbraw/zinc/09/81/83/772098183.db2.gz WBDFQCZYVYHSIC-QWHCGFSZSA-N 1 3 313.442 0.894 20 0 DCADHO CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160823307 772116257 /nfs/dbraw/zinc/11/62/57/772116257.db2.gz FPXPPPPBFLFDFA-JTQLQIEISA-N 1 3 324.381 0.192 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001160834729 772118221 /nfs/dbraw/zinc/11/82/21/772118221.db2.gz GQCPOEMLZQMYNJ-LBPRGKRZSA-N 1 3 321.450 0.258 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866314 772128530 /nfs/dbraw/zinc/12/85/30/772128530.db2.gz ANUMFPCPGGJGPB-UKRRQHHQSA-N 1 3 320.441 0.428 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866314 772128533 /nfs/dbraw/zinc/12/85/33/772128533.db2.gz ANUMFPCPGGJGPB-UKRRQHHQSA-N 1 3 320.441 0.428 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCCN1CCCC1=O)N(C)C ZINC001160889463 772133077 /nfs/dbraw/zinc/13/30/77/772133077.db2.gz KBKGRJASHCRZKT-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO N[C@@H](C(=O)N1CCOC[C@@H]1c1cccnc1)C1CC[NH2+]CC1 ZINC001160950816 772142126 /nfs/dbraw/zinc/14/21/26/772142126.db2.gz HNGLGPZQTHLGTL-HUUCEWRRSA-N 1 3 304.394 0.308 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161065698 772160985 /nfs/dbraw/zinc/16/09/85/772160985.db2.gz YQJVQMMBAUTGJY-RFQIPJPRSA-N 1 3 312.458 0.593 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1)C(N)=O ZINC001187328205 772166826 /nfs/dbraw/zinc/16/68/26/772166826.db2.gz DCUSFDQZYWQYGZ-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(CC)C2=O)C1 ZINC001187298366 772170369 /nfs/dbraw/zinc/17/03/69/772170369.db2.gz FCJOCPHWJYEHEV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(CC)C2=O)C1 ZINC001187298366 772170371 /nfs/dbraw/zinc/17/03/71/772170371.db2.gz FCJOCPHWJYEHEV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(C[C@H]1CNCCO1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161273974 772195473 /nfs/dbraw/zinc/19/54/73/772195473.db2.gz MUGUVKCDKWDEGV-HOTGVXAUSA-N 1 3 318.421 0.541 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413015 772219547 /nfs/dbraw/zinc/21/95/47/772219547.db2.gz NJNGEJCKXIPGGX-YVSFHVDLSA-N 1 3 317.433 0.987 20 0 DCADHO CN(C)CCN(C(=O)c1cc(N)cc(N)c1)[C@@H]1CCC[NH2+]C1 ZINC001161449807 772225458 /nfs/dbraw/zinc/22/54/58/772225458.db2.gz SRDZMECSZVYPIR-OAHLLOKOSA-N 1 3 305.426 0.607 20 0 DCADHO [NH3+][C@H]1CN(C(=O)C[C@@H]2Cc3ccccc3CN2)CC12COC2 ZINC001161510342 772236932 /nfs/dbraw/zinc/23/69/32/772236932.db2.gz NPXPYIPDYSBVFU-GJZGRUSLSA-N 1 3 301.390 0.277 20 0 DCADHO CC[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872555 772428160 /nfs/dbraw/zinc/42/81/60/772428160.db2.gz WBZHIEQIKDNLBL-GJEMEMOUSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)o1 ZINC001164538399 772676079 /nfs/dbraw/zinc/67/60/79/772676079.db2.gz GAOIGUXAZLNEFM-AWEZNQCLSA-N 1 3 324.425 0.688 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)o1 ZINC001164538399 772676081 /nfs/dbraw/zinc/67/60/81/772676081.db2.gz GAOIGUXAZLNEFM-AWEZNQCLSA-N 1 3 324.425 0.688 20 0 DCADHO C[C@H](NCCCNC(=O)C1CC[NH+](C)CC1)c1cnccn1 ZINC001165777512 772762144 /nfs/dbraw/zinc/76/21/44/772762144.db2.gz VJUWPJHNHPQGCT-ZDUSSCGKSA-N 1 3 305.426 0.975 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)CN2CCC[C@@H]2C)C1=O ZINC001166626090 772830073 /nfs/dbraw/zinc/83/00/73/772830073.db2.gz ALCNZHXGCBJKTH-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)CN2CCC[C@H]2C)n1 ZINC001166626394 772830405 /nfs/dbraw/zinc/83/04/05/772830405.db2.gz FLUVWLKWOFVVAU-CYBMUJFWSA-N 1 3 322.457 0.475 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cn1 ZINC001166627420 772831602 /nfs/dbraw/zinc/83/16/02/772831602.db2.gz VHBWHKZYPJENCL-ZDUSSCGKSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001166633925 772832171 /nfs/dbraw/zinc/83/21/71/772832171.db2.gz OKPFEQYCJCSEGF-CQSZACIVSA-N 1 3 320.437 0.466 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001166667391 772836257 /nfs/dbraw/zinc/83/62/57/772836257.db2.gz ABNDFSQGGZQURC-CQSZACIVSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1cnccn1 ZINC001166676921 772838001 /nfs/dbraw/zinc/83/80/01/772838001.db2.gz DZEIECQBCLCADD-KBPBESRZSA-N 1 3 305.426 0.975 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCN2CCCC2=O)C1 ZINC001166676824 772838398 /nfs/dbraw/zinc/83/83/98/772838398.db2.gz CYXOHIORVPBCAF-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO CCn1cc(CC[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001166676776 772838583 /nfs/dbraw/zinc/83/85/83/772838583.db2.gz CLKCORKWEFVRMK-OAHLLOKOSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001166677823 772839120 /nfs/dbraw/zinc/83/91/20/772839120.db2.gz NSLRHRJBJQMQFT-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CC(=O)NCCC[NH2+]Cc1ccnn1C)CC(C)(C)C ZINC001166744270 772855724 /nfs/dbraw/zinc/85/57/24/772855724.db2.gz OJXLVPXEJFTLRF-UHFFFAOYSA-N 1 3 309.458 0.994 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744548 772855734 /nfs/dbraw/zinc/85/57/34/772855734.db2.gz ZMSBTOMPVTZPPV-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO Cn1nccc1C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166759791 772856935 /nfs/dbraw/zinc/85/69/35/772856935.db2.gz YGVBKIIOBZSMBL-UHFFFAOYSA-N 1 3 307.442 0.748 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCN(C(C)C)C1=O)N(C)C ZINC001166852402 772871429 /nfs/dbraw/zinc/87/14/29/772871429.db2.gz QPCOTAJTTAXXQD-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001166866769 772872644 /nfs/dbraw/zinc/87/26/44/772872644.db2.gz UDQGEIAIACPVCN-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1OCC(N)=O ZINC001205033755 772974027 /nfs/dbraw/zinc/97/40/27/772974027.db2.gz QMVLPGFBWJPVKB-UHFFFAOYSA-N 1 3 307.394 0.730 20 0 DCADHO C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)nc2)C[C@H]1C[NH3+] ZINC001205146404 772980249 /nfs/dbraw/zinc/98/02/49/772980249.db2.gz UPZUVGOIQIKDPE-GOEBONIOSA-N 1 3 303.454 0.860 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401957 773073345 /nfs/dbraw/zinc/07/33/45/773073345.db2.gz HRBILQYDJFVFSD-UHFFFAOYSA-N 1 3 321.425 0.305 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559773 773084527 /nfs/dbraw/zinc/08/45/27/773084527.db2.gz LOFRZDIXXAPIKO-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001206890310 773121759 /nfs/dbraw/zinc/12/17/59/773121759.db2.gz LFLBSIAOHYSZST-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001206890459 773121805 /nfs/dbraw/zinc/12/18/05/773121805.db2.gz SMTIFUJVIYSEOH-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC(=O)N(C)C)CC1 ZINC001206953493 773147033 /nfs/dbraw/zinc/14/70/33/773147033.db2.gz NTVFKCJIJXKDEO-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980201 773155437 /nfs/dbraw/zinc/15/54/37/773155437.db2.gz JWVRSGBSUUJZRK-FVQBIDKESA-N 1 3 309.454 0.801 20 0 DCADHO C[N@@H+]1CC[C@]2(CCN(CC3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001207449518 773210331 /nfs/dbraw/zinc/21/03/31/773210331.db2.gz CUYQARYGMTWXFG-HNNXBMFYSA-N 1 3 315.483 0.686 20 0 DCADHO C[N@H+]1CC[C@]2(CCN(CC3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001207449518 773210333 /nfs/dbraw/zinc/21/03/33/773210333.db2.gz CUYQARYGMTWXFG-HNNXBMFYSA-N 1 3 315.483 0.686 20 0 DCADHO CCN1C[C@H]2C[NH+](CC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001207452327 773211127 /nfs/dbraw/zinc/21/11/27/773211127.db2.gz WBGZWIXROPIJEX-GJZGRUSLSA-N 1 3 315.483 0.542 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001208073167 773394215 /nfs/dbraw/zinc/39/42/15/773394215.db2.gz DNYJVEBFQITELW-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001208073167 773394220 /nfs/dbraw/zinc/39/42/20/773394220.db2.gz DNYJVEBFQITELW-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NCC)C1 ZINC001208279366 773422257 /nfs/dbraw/zinc/42/22/57/773422257.db2.gz OLHAELZFWBITFU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NCC)C1 ZINC001208279366 773422261 /nfs/dbraw/zinc/42/22/61/773422261.db2.gz OLHAELZFWBITFU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208280044 773422892 /nfs/dbraw/zinc/42/28/92/773422892.db2.gz XYMAQMCLXFRCSO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208280044 773422898 /nfs/dbraw/zinc/42/28/98/773422898.db2.gz XYMAQMCLXFRCSO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208454043 773466636 /nfs/dbraw/zinc/46/66/36/773466636.db2.gz RJCZRLKMFNWYJT-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1cccc(C)c1CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195851045 773484839 /nfs/dbraw/zinc/48/48/39/773484839.db2.gz RWBUAZJFAHLAAQ-IAGOWNOFSA-N 1 3 319.449 0.916 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)CC1 ZINC001195829596 773489564 /nfs/dbraw/zinc/48/95/64/773489564.db2.gz QIXKRBMDSRZLHK-HUUCEWRRSA-N 1 3 315.433 0.629 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208717691 773520237 /nfs/dbraw/zinc/52/02/37/773520237.db2.gz MNLCAZKDCVNISZ-ZBFHGGJFSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1C[C@@H]2C[NH+](CC3=C4CCOC(=O)C4=CN[C@H]3C)C[C@H]2C1 ZINC001209347521 773597665 /nfs/dbraw/zinc/59/76/65/773597665.db2.gz UBKLBJGHULNLKN-BFHYXJOUSA-N 1 3 317.433 0.989 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209642887 773629409 /nfs/dbraw/zinc/62/94/09/773629409.db2.gz PZFTVZJSTMZNCD-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001209669634 773632568 /nfs/dbraw/zinc/63/25/68/773632568.db2.gz RBHQVEWIKYFETG-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001210218151 773686531 /nfs/dbraw/zinc/68/65/31/773686531.db2.gz PAUSOVOMEXZKRC-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001210494742 773713959 /nfs/dbraw/zinc/71/39/59/773713959.db2.gz XDSVHSAXMUCPDD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001210494742 773713964 /nfs/dbraw/zinc/71/39/64/773713964.db2.gz XDSVHSAXMUCPDD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210790458 773739761 /nfs/dbraw/zinc/73/97/61/773739761.db2.gz XKZDKOPVWOJQCQ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001210812251 773741485 /nfs/dbraw/zinc/74/14/85/773741485.db2.gz VQUUVXNDUSLWQM-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccnc1OCC1CC1 ZINC001197673901 773780514 /nfs/dbraw/zinc/78/05/14/773780514.db2.gz QUNRNIPSLHMWHZ-UHFFFAOYSA-N 1 3 305.382 0.945 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC001211267793 773787152 /nfs/dbraw/zinc/78/71/52/773787152.db2.gz CRQLLLQZRAMYEU-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001211270360 773788923 /nfs/dbraw/zinc/78/89/23/773788923.db2.gz ZSQBNHRJIFJFIR-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001211283234 773789814 /nfs/dbraw/zinc/78/98/14/773789814.db2.gz FUWCYVAXLHKMTE-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCOC(=O)[C@H]1CNCCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001211354181 773794114 /nfs/dbraw/zinc/79/41/14/773794114.db2.gz JXXSPCHHPIHACT-JKSUJKDBSA-N 1 3 303.406 0.538 20 0 DCADHO COCCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342031 773835791 /nfs/dbraw/zinc/83/57/91/773835791.db2.gz CGQROGVJYDSSQS-ZIAGYGMSSA-N 1 3 313.442 0.180 20 0 DCADHO CO[C@@H]1CN(CCC[C@H](C)O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348706 773837347 /nfs/dbraw/zinc/83/73/47/773837347.db2.gz SHHSACVUZGUARX-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001152458963 773935513 /nfs/dbraw/zinc/93/55/13/773935513.db2.gz VDGKEOROVGQIEX-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057125 774037359 /nfs/dbraw/zinc/03/73/59/774037359.db2.gz XSIYJSJKJHGJCQ-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001215458942 774074792 /nfs/dbraw/zinc/07/47/92/774074792.db2.gz QVRDDSPTOZIEDI-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001216226509 774109859 /nfs/dbraw/zinc/10/98/59/774109859.db2.gz VZOSSKDXSZITGV-MBNYWOFBSA-N 1 3 322.457 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2n[nH]c(C)n2)C1 ZINC001216226509 774109866 /nfs/dbraw/zinc/10/98/66/774109866.db2.gz VZOSSKDXSZITGV-MBNYWOFBSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(=O)N(C)C ZINC001216838707 774141358 /nfs/dbraw/zinc/14/13/58/774141358.db2.gz CIVJBOLJTZHJBB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788077 774198643 /nfs/dbraw/zinc/19/86/43/774198643.db2.gz KSBRIZFWCUYRNF-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788447 774199402 /nfs/dbraw/zinc/19/94/02/774199402.db2.gz QNINEMFDGMKHAN-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO c1cc(OC[C@@H]2CCC3(C[NH2+]C3)O2)n2nc3c(c2n1)CNCC3 ZINC001218073094 774211086 /nfs/dbraw/zinc/21/10/86/774211086.db2.gz JFIIPKCLEXYOTC-NSHDSACASA-N 1 3 315.377 0.275 20 0 DCADHO c1cc(CN2CC[NH2+]CC2)cc(O[C@H]2CC[C@@H]3NCCO[C@@H]32)c1 ZINC001218117526 774213378 /nfs/dbraw/zinc/21/33/78/774213378.db2.gz YIWGNEOWEGFCHJ-BZSNNMDCSA-N 1 3 317.433 0.990 20 0 DCADHO c1cc(OC[C@@H]2C[NH2+]CCCO2)n2nc3c(c2n1)CNCC3 ZINC001218302170 774220030 /nfs/dbraw/zinc/22/00/30/774220030.db2.gz PGAUXSOOORESAI-NSHDSACASA-N 1 3 303.366 0.132 20 0 DCADHO Cc1sc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C(N)=O)c1C ZINC001218548064 774243583 /nfs/dbraw/zinc/24/35/83/774243583.db2.gz MSZVLGVNJJFGJW-MEBBXXQBSA-N 1 3 322.434 0.601 20 0 DCADHO CCOC(=O)c1ccncc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218571689 774251880 /nfs/dbraw/zinc/25/18/80/774251880.db2.gz OKMXVSMUYUPRJC-LLVKDONJSA-N 1 3 304.350 0.006 20 0 DCADHO CCCN=c1c(N)c(Cl)ncn1C(=O)[C@@H](N)CCC[NH3+] ZINC001218572559 774252801 /nfs/dbraw/zinc/25/28/01/774252801.db2.gz WXKVYJNZIQMGAL-QMMMGPOBSA-N 1 3 300.794 0.136 20 0 DCADHO CCOC(=O)c1cnn2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc12 ZINC001218614027 774263123 /nfs/dbraw/zinc/26/31/23/774263123.db2.gz GZUIPOHANOPELG-LBPRGKRZSA-N 1 3 319.365 0.516 20 0 DCADHO Nc1cccnc1N(C(=O)[C@@H]1C[C@@H](F)CCN1)C1CC[NH2+]CC1 ZINC001218695554 774282137 /nfs/dbraw/zinc/28/21/37/774282137.db2.gz ZJWNDMKBVNMVEK-FZMZJTMJSA-N 1 3 321.400 0.839 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001218710224 774285576 /nfs/dbraw/zinc/28/55/76/774285576.db2.gz DEDRWCLLNDXIDE-LKFCYVNXSA-N 1 3 305.338 0.546 20 0 DCADHO CO[C@@H]1CCN[C@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218731682 774291197 /nfs/dbraw/zinc/29/11/97/774291197.db2.gz RNEZTYYPZQOCJS-MCIONIFRSA-N 1 3 320.393 0.528 20 0 DCADHO N[C@@H](C(=O)Nc1cc(Cl)nc2ccnn21)C1CC[NH2+]CC1 ZINC001218745022 774295300 /nfs/dbraw/zinc/29/53/00/774295300.db2.gz DFFUWZNYCJVHEE-GFCCVEGCSA-N 1 3 308.773 0.648 20 0 DCADHO CC1(C)COc2cc(NC(=O)[C@H](N)C3CC[NH2+]CC3)nn2C1 ZINC001218746742 774295349 /nfs/dbraw/zinc/29/53/49/774295349.db2.gz OOFSXEHOXDNFID-CYBMUJFWSA-N 1 3 307.398 0.567 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218900799 774323228 /nfs/dbraw/zinc/32/32/28/774323228.db2.gz UVUICQWXUVCHEV-KBPBESRZSA-N 1 3 320.393 0.732 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218900593 774323722 /nfs/dbraw/zinc/32/37/22/774323722.db2.gz PGMFNGUHIRJTTC-QWHCGFSZSA-N 1 3 306.366 0.342 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(N)cc1CCO ZINC001218917952 774327395 /nfs/dbraw/zinc/32/73/95/774327395.db2.gz DPLZGIIJISOMPB-AWEZNQCLSA-N 1 3 308.426 0.801 20 0 DCADHO O=C(Nc1cccc(-n2nccn2)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218985337 774340913 /nfs/dbraw/zinc/34/09/13/774340913.db2.gz ZNRPRAJHXXKCEJ-MLGOLLRUSA-N 1 3 312.377 0.405 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219027748 774350129 /nfs/dbraw/zinc/35/01/29/774350129.db2.gz ATQCWWBFOMMBNL-GZBFAFLISA-N 1 3 303.362 0.484 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219028043 774350624 /nfs/dbraw/zinc/35/06/24/774350624.db2.gz NBTCNNFPKXABIC-VNHYZAJKSA-N 1 3 303.362 0.342 20 0 DCADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001219178299 774400647 /nfs/dbraw/zinc/40/06/47/774400647.db2.gz RLCXNZJZKXFYDE-NSHDSACASA-N 1 3 319.365 0.697 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCCO1 ZINC001200738212 774404353 /nfs/dbraw/zinc/40/43/53/774404353.db2.gz VWJMKEHXIGNXJA-CABCVRRESA-N 1 3 315.458 0.426 20 0 DCADHO CN[C@H](C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1)[C@@H](C)O ZINC001219233794 774417656 /nfs/dbraw/zinc/41/76/56/774417656.db2.gz WMSUEVINJSGFLE-XUJVJEKNSA-N 1 3 306.410 0.521 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001201328049 774489317 /nfs/dbraw/zinc/48/93/17/774489317.db2.gz VEJOOTRSGPBLRY-UHFFFAOYSA-N 1 3 322.457 0.589 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCCO[C@H](CNCCF)C2)CC1 ZINC001201568419 774525315 /nfs/dbraw/zinc/52/53/15/774525315.db2.gz FYLBPGPFHUGDIF-OAHLLOKOSA-N 1 3 315.433 0.895 20 0 DCADHO CC(=O)Nc1ccc(O)c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001219530545 774525716 /nfs/dbraw/zinc/52/57/16/774525716.db2.gz VBNNQEYWHLYSEG-CQSZACIVSA-N 1 3 306.366 0.616 20 0 DCADHO O=C(C[C@H]1CNCCO1)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219537348 774528795 /nfs/dbraw/zinc/52/87/95/774528795.db2.gz LJCPKBNZSMQDQJ-MJVIPROJSA-N 1 3 303.362 0.451 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)COC)C1 ZINC001201677766 774536071 /nfs/dbraw/zinc/53/60/71/774536071.db2.gz CUUMHKPPWVBYIP-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001219724744 774591901 /nfs/dbraw/zinc/59/19/01/774591901.db2.gz ZOFTYWQITSLPMM-ZNMIVQPWSA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219724744 774591904 /nfs/dbraw/zinc/59/19/04/774591904.db2.gz ZOFTYWQITSLPMM-ZNMIVQPWSA-N 1 3 315.433 0.628 20 0 DCADHO N[C@@H](Cc1cccc(O)c1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799826 774612074 /nfs/dbraw/zinc/61/20/74/774612074.db2.gz DJGZZCBNGKZRRQ-HIFRSBDPSA-N 1 3 319.405 0.147 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(OC(F)F)cc1 ZINC001219916422 774645538 /nfs/dbraw/zinc/64/55/38/774645538.db2.gz VQVLRUQLYGAJCJ-NSHDSACASA-N 1 3 319.377 0.923 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2O1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219925827 774648246 /nfs/dbraw/zinc/64/82/46/774648246.db2.gz XRTQBBPQLXXSCI-JKIFEVAISA-N 1 3 301.390 0.305 20 0 DCADHO N[C@@H](C(=O)NCc1cccc(-n2cccn2)c1)C1CC[NH2+]CC1 ZINC001220011356 774669278 /nfs/dbraw/zinc/66/92/78/774669278.db2.gz UYSCMCPQBBSDIS-MRXNPFEDSA-N 1 3 313.405 0.815 20 0 DCADHO NC(C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1)C(F)(F)F ZINC001220022383 774673327 /nfs/dbraw/zinc/67/33/27/774673327.db2.gz GHXATJOKNNAFCU-NSHDSACASA-N 1 3 317.311 0.633 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@](C)(C(N)=O)C(C)C ZINC001220023388 774673396 /nfs/dbraw/zinc/67/33/96/774673396.db2.gz WWQCGJUVOMCDJW-WFASDCNBSA-N 1 3 300.447 0.498 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220062052 774684539 /nfs/dbraw/zinc/68/45/39/774684539.db2.gz LAZHHZYDBAKQHV-QWHCGFSZSA-N 1 3 313.446 0.143 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220062052 774684543 /nfs/dbraw/zinc/68/45/43/774684543.db2.gz LAZHHZYDBAKQHV-QWHCGFSZSA-N 1 3 313.446 0.143 20 0 DCADHO N[C@H](C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCC(O)CC1 ZINC001220163886 774716034 /nfs/dbraw/zinc/71/60/34/774716034.db2.gz WKJCKHTWQMMHBM-MBMFCAITSA-N 1 3 309.454 0.903 20 0 DCADHO N[C@H](C(=O)NCC(=O)c1c[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC001220197555 774730445 /nfs/dbraw/zinc/73/04/45/774730445.db2.gz JHGJKEXFMXZUIN-INIZCTEOSA-N 1 3 314.389 0.794 20 0 DCADHO NC1(C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)Cc2ccccc2C1 ZINC001220317413 774769715 /nfs/dbraw/zinc/76/97/15/774769715.db2.gz YUFUEIKKIGNXIW-NVXWUHKLSA-N 1 3 315.417 0.510 20 0 DCADHO O=C(NC[C@@H](O)C1CCCCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220467492 774820353 /nfs/dbraw/zinc/82/03/53/774820353.db2.gz YGKINYBILICDGS-HUUCEWRRSA-N 1 3 309.454 0.918 20 0 DCADHO O=C(NC[C@@H](O)C1CCCCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220467492 774820359 /nfs/dbraw/zinc/82/03/59/774820359.db2.gz YGKINYBILICDGS-HUUCEWRRSA-N 1 3 309.454 0.918 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21)C1CCC1 ZINC001114413903 774850764 /nfs/dbraw/zinc/85/07/64/774850764.db2.gz ITXSUSKHUDVYMV-VQFNDLOPSA-N 1 3 321.465 0.944 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21)C1CCC1 ZINC001114413903 774850774 /nfs/dbraw/zinc/85/07/74/774850774.db2.gz ITXSUSKHUDVYMV-VQFNDLOPSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680414 774888084 /nfs/dbraw/zinc/88/80/84/774888084.db2.gz AQARKONEKFAWFZ-QNSTZXKLSA-N 1 3 308.426 0.114 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCCCOc1cccc(F)c1 ZINC001220685379 774891146 /nfs/dbraw/zinc/89/11/46/774891146.db2.gz VPPHGEIXGSQOFZ-ZDUSSCGKSA-N 1 3 315.414 0.730 20 0 DCADHO Nc1ncc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)s1 ZINC001220704605 774896010 /nfs/dbraw/zinc/89/60/10/774896010.db2.gz SQTGOOLCZCRMOK-NSHDSACASA-N 1 3 309.439 0.258 20 0 DCADHO Nc1ncc(CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)s1 ZINC001220704605 774896015 /nfs/dbraw/zinc/89/60/15/774896015.db2.gz SQTGOOLCZCRMOK-NSHDSACASA-N 1 3 309.439 0.258 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786275 774914381 /nfs/dbraw/zinc/91/43/81/774914381.db2.gz SWLGVBWDBAJOJB-QEJZJMRPSA-N 1 3 314.393 0.142 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786275 774914385 /nfs/dbraw/zinc/91/43/85/774914385.db2.gz SWLGVBWDBAJOJB-QEJZJMRPSA-N 1 3 314.393 0.142 20 0 DCADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788796 774915532 /nfs/dbraw/zinc/91/55/32/774915532.db2.gz GNUVPEFECVCTAQ-IJEWVQPXSA-N 1 3 304.394 0.227 20 0 DCADHO O=C(NCCN1CCC(F)(F)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220807476 774920411 /nfs/dbraw/zinc/92/04/11/774920411.db2.gz GDHXPQAODDHUGL-GFCCVEGCSA-N 1 3 316.396 0.318 20 0 DCADHO O=C(NCCN1CCC(F)(F)C1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220807476 774920416 /nfs/dbraw/zinc/92/04/16/774920416.db2.gz GDHXPQAODDHUGL-GFCCVEGCSA-N 1 3 316.396 0.318 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1O ZINC001220826235 774926811 /nfs/dbraw/zinc/92/68/11/774926811.db2.gz TVJKVSORMHVFSK-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1O ZINC001220826235 774926814 /nfs/dbraw/zinc/92/68/14/774926814.db2.gz TVJKVSORMHVFSK-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCOC(=O)[C@H](CNC(=O)[C@@H](N)CCCC[NH3+])c1ccccc1 ZINC001220876652 774941055 /nfs/dbraw/zinc/94/10/55/774941055.db2.gz MMVCKMRNXHQOLU-CABCVRRESA-N 1 3 321.421 0.906 20 0 DCADHO N[C@]1(C(=O)NCCO[C@@H]2CC[NH2+]C2)CCc2cc(F)ccc2C1 ZINC001220935937 774956847 /nfs/dbraw/zinc/95/68/47/774956847.db2.gz AWMVLESRLQMNJM-NVXWUHKLSA-N 1 3 321.396 0.507 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936939 774957411 /nfs/dbraw/zinc/95/74/11/774957411.db2.gz KNIHUWCQLBZDLK-CVEARBPZSA-N 1 3 321.421 0.286 20 0 DCADHO O=C(N[C@H](c1ccnc(F)c1)C1CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221053651 774985549 /nfs/dbraw/zinc/98/55/49/774985549.db2.gz HSRVOQFBXBEMKA-UKPHBRMFSA-N 1 3 318.396 0.987 20 0 DCADHO COc1cccc(CN(C(=O)[C@@H](N)CN)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001221186424 775020262 /nfs/dbraw/zinc/02/02/62/775020262.db2.gz ZCENCXFFZDSMPR-DZKIICNBSA-N 1 3 320.437 0.580 20 0 DCADHO N=C(NC(=O)[C@@H](N)CCCC[NH3+])c1cnc2ccc(F)cn21 ZINC001221323263 775068960 /nfs/dbraw/zinc/06/89/60/775068960.db2.gz XPNUGGHQMMAIBO-JTQLQIEISA-N 1 3 306.345 0.371 20 0 DCADHO O=C(OCCN1CCNC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001222085592 775266349 /nfs/dbraw/zinc/26/63/49/775266349.db2.gz DKAUWUAWNAYCQO-UHFFFAOYSA-N 1 3 303.406 0.871 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492111 775366022 /nfs/dbraw/zinc/36/60/22/775366022.db2.gz OLNXOBIZKUWVTJ-RFGFWPKPSA-N 1 3 302.413 0.503 20 0 DCADHO CNc1ccc(C[N@@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)cc1 ZINC001222527514 775379297 /nfs/dbraw/zinc/37/92/97/775379297.db2.gz NARLQQFJMQYESG-KRWDZBQOSA-N 1 3 300.406 0.640 20 0 DCADHO CNc1ccc(C[N@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)cc1 ZINC001222527514 775379303 /nfs/dbraw/zinc/37/93/03/775379303.db2.gz NARLQQFJMQYESG-KRWDZBQOSA-N 1 3 300.406 0.640 20 0 DCADHO CC[C@@H](C(=O)NCC1CC[NH+](CCn2cncn2)CC1)N(C)C ZINC001224583608 775585560 /nfs/dbraw/zinc/58/55/60/775585560.db2.gz VVNHRGRQGFPRJO-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226824550 775880940 /nfs/dbraw/zinc/88/09/40/775880940.db2.gz OYWSILPPCUHRQW-ZIAGYGMSSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)N(C)C ZINC001227056784 775919045 /nfs/dbraw/zinc/91/90/45/775919045.db2.gz LSKGPZISSCCVLJ-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C1(C(=O)NC2CC[NH+](CCOCCO)CC2)CCC1 ZINC001227807611 776009796 /nfs/dbraw/zinc/00/97/96/776009796.db2.gz UYWXBFOMHSTPNW-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[C@H](C(=O)NC1CCN(CCOCCO)CC1)[NH+](C)C ZINC001229058893 776154067 /nfs/dbraw/zinc/15/40/67/776154067.db2.gz WWHRIYHGBBSFIV-OAHLLOKOSA-N 1 3 315.458 0.162 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001230107737 776254089 /nfs/dbraw/zinc/25/40/89/776254089.db2.gz VZGQHDHDZCOQJH-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001230107737 776254094 /nfs/dbraw/zinc/25/40/94/776254094.db2.gz VZGQHDHDZCOQJH-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1)C1CC1 ZINC001041357411 777224705 /nfs/dbraw/zinc/22/47/05/777224705.db2.gz HBCVAUYFMSOYSO-RDJZCZTQSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1)C1CC1 ZINC001041357411 777224710 /nfs/dbraw/zinc/22/47/10/777224710.db2.gz HBCVAUYFMSOYSO-RDJZCZTQSA-N 1 3 309.454 0.633 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccnn1C ZINC001277982961 945079700 /nfs/dbraw/zinc/07/97/00/945079700.db2.gz ZMYQQLLTOFOWNH-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587210 945088707 /nfs/dbraw/zinc/08/87/07/945088707.db2.gz FTVFCGBWDJTHMK-HNNXBMFYSA-N 1 3 305.426 0.310 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317597522 945098247 /nfs/dbraw/zinc/09/82/47/945098247.db2.gz HZLWVBNTRXXGGJ-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317597522 945098251 /nfs/dbraw/zinc/09/82/51/945098251.db2.gz HZLWVBNTRXXGGJ-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001278333912 945222056 /nfs/dbraw/zinc/22/20/56/945222056.db2.gz HIZVCKYDDAZJNF-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCn1cccn1 ZINC001480871314 939101046 /nfs/dbraw/zinc/10/10/46/939101046.db2.gz LFQMCBZWNUJNOA-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCn1cccn1 ZINC001480871314 939101048 /nfs/dbraw/zinc/10/10/48/939101048.db2.gz LFQMCBZWNUJNOA-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCn3cccn3)C2)C1 ZINC001267057990 939325774 /nfs/dbraw/zinc/32/57/74/939325774.db2.gz NHWFWVUSQOQENU-CVEARBPZSA-N 1 3 319.453 0.663 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+]CCO)C2)c1 ZINC001267070176 939330246 /nfs/dbraw/zinc/33/02/46/939330246.db2.gz JOLPDOOPVHHAFK-HNNXBMFYSA-N 1 3 305.422 0.792 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCn2cccn2)C1 ZINC001267069423 939330585 /nfs/dbraw/zinc/33/05/85/939330585.db2.gz WBKZJEDJBCLIIG-OAHLLOKOSA-N 1 3 305.426 0.417 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCNC(=O)C1CC1 ZINC001267117428 939349940 /nfs/dbraw/zinc/34/99/40/939349940.db2.gz SHXWCDFOPRDJJW-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO NC(=O)CN1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001267181850 939374930 /nfs/dbraw/zinc/37/49/30/939374930.db2.gz OWIBIVLIQPFXEG-HNNXBMFYSA-N 1 3 324.469 0.709 20 0 DCADHO CN1CC[C@@H](N2CC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001267305435 939420659 /nfs/dbraw/zinc/42/06/59/939420659.db2.gz AOFREYPXCWMINO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001267390000 939446309 /nfs/dbraw/zinc/44/63/09/939446309.db2.gz ITUCKRCAIMWJLX-WDEREUQCSA-N 1 3 313.364 0.688 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]CCn1cc(Cl)cn1 ZINC001267474693 939470767 /nfs/dbraw/zinc/47/07/67/939470767.db2.gz SKDMOQNOPIUROF-UHFFFAOYSA-N 1 3 315.849 0.925 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481114449 939566412 /nfs/dbraw/zinc/56/64/12/939566412.db2.gz MNUZNYTVBLKJIM-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001408693572 939578090 /nfs/dbraw/zinc/57/80/90/939578090.db2.gz HVDGKPNCWWLIOI-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001408693572 939578091 /nfs/dbraw/zinc/57/80/91/939578091.db2.gz HVDGKPNCWWLIOI-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001408693573 939578377 /nfs/dbraw/zinc/57/83/77/939578377.db2.gz HVDGKPNCWWLIOI-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001408693573 939578378 /nfs/dbraw/zinc/57/83/78/939578378.db2.gz HVDGKPNCWWLIOI-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001481272027 939689583 /nfs/dbraw/zinc/68/95/83/939689583.db2.gz ONJKXORTGOBYRL-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001481272027 939689584 /nfs/dbraw/zinc/68/95/84/939689584.db2.gz ONJKXORTGOBYRL-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001481319566 939746564 /nfs/dbraw/zinc/74/65/64/939746564.db2.gz IVJICKAEPOTFGL-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO CCNC(=O)C[N@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001481353483 939757195 /nfs/dbraw/zinc/75/71/95/939757195.db2.gz IUQDTUOEISCBDB-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001481353483 939757198 /nfs/dbraw/zinc/75/71/98/939757198.db2.gz IUQDTUOEISCBDB-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001273123000 945277994 /nfs/dbraw/zinc/27/79/94/945277994.db2.gz MCGXUZZURROOMS-HIFRSBDPSA-N 1 3 322.453 0.710 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001481644229 939996876 /nfs/dbraw/zinc/99/68/76/939996876.db2.gz CKVFILWWHMBRFU-AWEZNQCLSA-N 1 3 309.454 0.803 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001268303468 940041597 /nfs/dbraw/zinc/04/15/97/940041597.db2.gz ANEYXTNVCJLQDJ-NMTKSXOJSA-N 1 3 303.834 0.678 20 0 DCADHO CCOCCN1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481728047 940092532 /nfs/dbraw/zinc/09/25/32/940092532.db2.gz KYSWGPDVCHBPOV-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001481941679 940190925 /nfs/dbraw/zinc/19/09/25/940190925.db2.gz WSYNZOJVXWNIFZ-CXAGYDPISA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001268539740 940224154 /nfs/dbraw/zinc/22/41/54/940224154.db2.gz WXSWOPLVRXLJCX-PSKZRQQASA-N 1 3 324.469 0.777 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482061525 940239146 /nfs/dbraw/zinc/23/91/46/940239146.db2.gz MKDDQYJLLGCGRT-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482061525 940239147 /nfs/dbraw/zinc/23/91/47/940239147.db2.gz MKDDQYJLLGCGRT-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ccc(OC[C@H](O)CNC2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245990746 945307814 /nfs/dbraw/zinc/30/78/14/945307814.db2.gz SMZLPZPMAIGXMT-QGZVFWFLSA-N 1 3 319.449 0.761 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](O)CNC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245989076 945308025 /nfs/dbraw/zinc/30/80/25/945308025.db2.gz XNWVIGKXKYPUJE-STQMWFEESA-N 1 3 313.442 0.153 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001246006435 945312313 /nfs/dbraw/zinc/31/23/13/945312313.db2.gz HXPIYXWQLKSZPM-CABCVRRESA-N 1 3 309.410 0.137 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001268603991 940294657 /nfs/dbraw/zinc/29/46/57/940294657.db2.gz SQEUUXKHXVCPAU-IHVVCDCBSA-N 1 3 318.421 0.498 20 0 DCADHO COC(=O)CC1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246078460 945333591 /nfs/dbraw/zinc/33/35/91/945333591.db2.gz AUQQLLHHRAGXES-NSOJWWLLSA-N 1 3 302.390 0.760 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246181747 945357989 /nfs/dbraw/zinc/35/79/89/945357989.db2.gz RQTSJTRPPRNWFO-XJKCOSOUSA-N 1 3 311.426 0.171 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338694 941005117 /nfs/dbraw/zinc/00/51/17/941005117.db2.gz JJOVLGQYVKLXRC-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C)N(C)C ZINC001409194551 941575625 /nfs/dbraw/zinc/57/56/25/941575625.db2.gz IEUPPMBHUOGQKI-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CCO[C@@H]1CC1(F)F)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482649366 941610157 /nfs/dbraw/zinc/61/01/57/941610157.db2.gz KZTZMIMZYNKFAD-QWHCGFSZSA-N 1 3 319.396 0.753 20 0 DCADHO CN(CCO[C@@H]1CC1(F)F)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482649366 941610158 /nfs/dbraw/zinc/61/01/58/941610158.db2.gz KZTZMIMZYNKFAD-QWHCGFSZSA-N 1 3 319.396 0.753 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnn(C)c1)N(C)C ZINC001482845061 941688044 /nfs/dbraw/zinc/68/80/44/941688044.db2.gz NTPLRDJEKRQVCI-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483007879 941773082 /nfs/dbraw/zinc/77/30/82/941773082.db2.gz FOZUHUNIOUJLGG-DWMWFBOSSA-N 1 3 324.469 0.503 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483007879 941773085 /nfs/dbraw/zinc/77/30/85/941773085.db2.gz FOZUHUNIOUJLGG-DWMWFBOSSA-N 1 3 324.469 0.503 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCCN1CCCC1=O ZINC001483188742 941927457 /nfs/dbraw/zinc/92/74/57/941927457.db2.gz UJGHTJUDCWYORW-GFCCVEGCSA-N 1 3 321.425 0.367 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001409376551 941970428 /nfs/dbraw/zinc/97/04/28/941970428.db2.gz ODHOTYOLYGVSKW-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](NCc1cncn1C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409426891 941992778 /nfs/dbraw/zinc/99/27/78/941992778.db2.gz ZQEWJCRZFIOVDI-STQMWFEESA-N 1 3 307.442 0.745 20 0 DCADHO COC[C@@H](C)N1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607390 942136989 /nfs/dbraw/zinc/13/69/89/942136989.db2.gz WALQXCYWILCFHY-DFBGVHRSSA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607390 942136991 /nfs/dbraw/zinc/13/69/91/942136991.db2.gz WALQXCYWILCFHY-DFBGVHRSSA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607390 942136994 /nfs/dbraw/zinc/13/69/94/942136994.db2.gz WALQXCYWILCFHY-DFBGVHRSSA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@@H](C)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607390 942136996 /nfs/dbraw/zinc/13/69/96/942136996.db2.gz WALQXCYWILCFHY-DFBGVHRSSA-N 1 3 318.377 0.144 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001483475845 942377754 /nfs/dbraw/zinc/37/77/54/942377754.db2.gz YNUICFGLXCQDPR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CN1CCCC1 ZINC001483509572 942395823 /nfs/dbraw/zinc/39/58/23/942395823.db2.gz NIMCXFIZAMLNNO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001127066560 942424843 /nfs/dbraw/zinc/42/48/43/942424843.db2.gz QAZHYRWRVNHIKT-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001127066560 942424845 /nfs/dbraw/zinc/42/48/45/942424845.db2.gz QAZHYRWRVNHIKT-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001483592767 942446924 /nfs/dbraw/zinc/44/69/24/942446924.db2.gz PVLJZKCQSMEREL-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483592767 942446929 /nfs/dbraw/zinc/44/69/29/942446929.db2.gz PVLJZKCQSMEREL-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483601783 942456980 /nfs/dbraw/zinc/45/69/80/942456980.db2.gz QGJZLQAUGKZBNC-HNNXBMFYSA-N 1 3 317.437 0.500 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCn2cccn2)CCC1 ZINC001484660139 943498490 /nfs/dbraw/zinc/49/84/90/943498490.db2.gz RARPHUSHUQNVPG-UHFFFAOYSA-N 1 3 316.409 0.786 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001490957841 943688607 /nfs/dbraw/zinc/68/86/07/943688607.db2.gz FRDWQZOAWVIKLR-KKUMJFAQSA-N 1 3 324.469 0.573 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001491023993 943714541 /nfs/dbraw/zinc/71/45/41/943714541.db2.gz XUFZOCATMVEKDX-FVCCEPFGSA-N 1 3 316.421 0.038 20 0 DCADHO CC(C)(C(=O)N1CCCC[C@H]1CNCC(N)=O)[NH+]1CCCCC1 ZINC001491247032 943869042 /nfs/dbraw/zinc/86/90/42/943869042.db2.gz JICUZZZCUBUUJB-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001491261444 943875813 /nfs/dbraw/zinc/87/58/13/943875813.db2.gz UADWWBCOAUNWDA-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001485687037 944082525 /nfs/dbraw/zinc/08/25/25/944082525.db2.gz PMNOKEBYKPIMOI-SYQHCUMBSA-N 1 3 312.458 0.192 20 0 DCADHO CN(C)C(=O)CN1CCC2(CN(C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001276497042 944191000 /nfs/dbraw/zinc/19/10/00/944191000.db2.gz QDYWXMURFDIJOJ-OAHLLOKOSA-N 1 3 308.470 0.424 20 0 DCADHO CN(C)C(=O)CN1CCC2(CN(C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001276497042 944191007 /nfs/dbraw/zinc/19/10/07/944191007.db2.gz QDYWXMURFDIJOJ-OAHLLOKOSA-N 1 3 308.470 0.424 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001272832250 944265872 /nfs/dbraw/zinc/26/58/72/944265872.db2.gz ZCATYCWREHOIJR-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001276802758 944304870 /nfs/dbraw/zinc/30/48/70/944304870.db2.gz VVRUTHSQPQZXLC-OCCSQVGLSA-N 1 3 310.398 0.194 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCN1CCCC1=O ZINC001485881346 944377368 /nfs/dbraw/zinc/37/73/68/944377368.db2.gz GFQRAEJPZAESRR-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCn1cncn1 ZINC001485882965 944379346 /nfs/dbraw/zinc/37/93/46/944379346.db2.gz YGKAOYATTPVOLN-CYBMUJFWSA-N 1 3 308.430 0.199 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001485920753 944403637 /nfs/dbraw/zinc/40/36/37/944403637.db2.gz WICAFFVZDAKTLY-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001485929875 944414098 /nfs/dbraw/zinc/41/40/98/944414098.db2.gz HAXWILMSNSQKLI-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001485955403 944414729 /nfs/dbraw/zinc/41/47/29/944414729.db2.gz LYAMTZDKLURYSH-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1cc(F)ccc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486062276 944524148 /nfs/dbraw/zinc/52/41/48/944524148.db2.gz UVTNUCJTOPJKHG-GDBMZVCRSA-N 1 3 323.412 0.653 20 0 DCADHO Cc1cc(F)ccc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486062276 944524157 /nfs/dbraw/zinc/52/41/57/944524157.db2.gz UVTNUCJTOPJKHG-GDBMZVCRSA-N 1 3 323.412 0.653 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001486135253 944591647 /nfs/dbraw/zinc/59/16/47/944591647.db2.gz OHKDFEDPDXXUEI-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)C1 ZINC001316924338 944650324 /nfs/dbraw/zinc/65/03/24/944650324.db2.gz NHSLSYIGRWWGDF-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)C1 ZINC001316924338 944650328 /nfs/dbraw/zinc/65/03/28/944650328.db2.gz NHSLSYIGRWWGDF-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001277208839 944705131 /nfs/dbraw/zinc/70/51/31/944705131.db2.gz AKQZITZWBQRASC-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001486482894 944917949 /nfs/dbraw/zinc/91/79/49/944917949.db2.gz XKGHKWUDDRSVEX-WLYUNCDWSA-N 1 3 324.469 0.576 20 0 DCADHO CC(=O)NCC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277910418 945036790 /nfs/dbraw/zinc/03/67/90/945036790.db2.gz PKUJFHIJWYVHFJ-IYBDPMFKSA-N 1 3 305.426 0.690 20 0 DCADHO CC(=O)NCC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277910418 945036797 /nfs/dbraw/zinc/03/67/97/945036797.db2.gz PKUJFHIJWYVHFJ-IYBDPMFKSA-N 1 3 305.426 0.690 20 0 DCADHO CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@H]2C1 ZINC001277923780 945042527 /nfs/dbraw/zinc/04/25/27/945042527.db2.gz KYLMILAEHQTWOP-GJZGRUSLSA-N 1 3 306.454 0.223 20 0 DCADHO CN(C)CC[N@H+]1C[C@@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@H]2C1 ZINC001277923780 945042535 /nfs/dbraw/zinc/04/25/35/945042535.db2.gz KYLMILAEHQTWOP-GJZGRUSLSA-N 1 3 306.454 0.223 20 0 DCADHO COC(=O)[C@H]1C[C@H](NCc2cccc(N3CC[NH2+]CC3)c2)CN1 ZINC001246339644 945388776 /nfs/dbraw/zinc/38/87/76/945388776.db2.gz AJTFWXHRXLEHNI-GOEBONIOSA-N 1 3 318.421 0.089 20 0 DCADHO COC(=O)C[C@@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246358434 945390852 /nfs/dbraw/zinc/39/08/52/945390852.db2.gz PKADZBUBWBOOFT-GXTWGEPZSA-N 1 3 304.394 0.369 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2CCN(C3CC[NH2+]CC3)C2)CN1 ZINC001246375207 945400656 /nfs/dbraw/zinc/40/06/56/945400656.db2.gz WXVZXAUIMDNZBQ-CKEIUWERSA-N 1 3 324.469 0.086 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CN1 ZINC001246492903 945419590 /nfs/dbraw/zinc/41/95/90/945419590.db2.gz DXEPTBWQBGTDBI-HOCLYGCPSA-N 1 3 320.437 0.322 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@](F)(C[NH3+])CC2)CN1 ZINC001246546914 945429025 /nfs/dbraw/zinc/42/90/25/945429025.db2.gz HKKUMAQYOLRGQP-KCQAQPDRSA-N 1 3 301.406 0.823 20 0 DCADHO NC[C@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@@H]1O ZINC001246585126 945436335 /nfs/dbraw/zinc/43/63/35/945436335.db2.gz OKIGPIGGPLVMME-JYJNAYRXSA-N 1 3 303.406 0.429 20 0 DCADHO NC[C@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@@H]1O ZINC001246585126 945436338 /nfs/dbraw/zinc/43/63/38/945436338.db2.gz OKIGPIGGPLVMME-JYJNAYRXSA-N 1 3 303.406 0.429 20 0 DCADHO C1C[C@]2(C[NH2+]1)CNCCN2C1CCC(N2CCOCC2)CC1 ZINC001246628713 945445910 /nfs/dbraw/zinc/44/59/10/945445910.db2.gz ZOUUGOYRKRVVHA-JCYILVPMSA-N 1 3 308.470 0.267 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CNCCC3(F)F)CCN1 ZINC001246635616 945449984 /nfs/dbraw/zinc/44/99/84/945449984.db2.gz DMKHFXAZFANHRW-SGMGOOAPSA-N 1 3 317.380 0.601 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CNCCC3(F)F)CCN1 ZINC001246635616 945449990 /nfs/dbraw/zinc/44/99/90/945449990.db2.gz DMKHFXAZFANHRW-SGMGOOAPSA-N 1 3 317.380 0.601 20 0 DCADHO O=C([C@@H]1COC[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]21)N1CCCC1 ZINC001246702720 945465070 /nfs/dbraw/zinc/46/50/70/945465070.db2.gz HZJOSXBXKOTQDJ-KLHDSHLOSA-N 1 3 307.438 0.555 20 0 DCADHO C[C@@H]1CC[C@H](N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)C[NH2+]1 ZINC001246710306 945468507 /nfs/dbraw/zinc/46/85/07/945468507.db2.gz QXGUCMRBCHKHBG-QXSJWSMHSA-N 1 3 317.437 0.754 20 0 DCADHO O=C(C[C@]12COC[C@H]1C[N@@H+](C1CCNCC1)C2)NCC1CC1 ZINC001246745515 945480206 /nfs/dbraw/zinc/48/02/06/945480206.db2.gz PDRBWMFLXBHAHN-PBHICJAKSA-N 1 3 307.438 0.603 20 0 DCADHO O=C(C[C@]12COC[C@H]1C[N@H+](C1CCNCC1)C2)NCC1CC1 ZINC001246745515 945480214 /nfs/dbraw/zinc/48/02/14/945480214.db2.gz PDRBWMFLXBHAHN-PBHICJAKSA-N 1 3 307.438 0.603 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccnn1C)N(C)C ZINC001319124210 945502232 /nfs/dbraw/zinc/50/22/32/945502232.db2.gz HFUJUQCSRNOPSB-HZPDHXFCSA-N 1 3 321.469 0.883 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CN1 ZINC001246970512 945528499 /nfs/dbraw/zinc/52/84/99/945528499.db2.gz ZZKHITMHBMQIMB-BPUTZDHNSA-N 1 3 324.469 0.168 20 0 DCADHO O[C@]1(Cc2nc(-c3ccc4c(n3)CCNC4)no2)CCC[NH2+]C1 ZINC001247782248 945575130 /nfs/dbraw/zinc/57/51/30/945575130.db2.gz ZAYDCSXYNJLZPG-INIZCTEOSA-N 1 3 315.377 0.434 20 0 DCADHO COc1ncc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1C ZINC001247831888 945577126 /nfs/dbraw/zinc/57/71/26/945577126.db2.gz CAZKDBDCOHXKAW-NSHDSACASA-N 1 3 301.350 0.725 20 0 DCADHO c1cnc2cc(-c3noc(C45CNCC4C[NH2+]C5)n3)ccc2n1 ZINC001247852289 945578119 /nfs/dbraw/zinc/57/81/19/945578119.db2.gz QSNPUMUZQPMHLD-UHFFFAOYSA-N 1 3 308.345 0.740 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001319594830 945625640 /nfs/dbraw/zinc/62/56/40/945625640.db2.gz XDJHWVLLSTXURP-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)Cc1ccc(-c2noc(CC[C@H](N)C(N)=O)n2)cc1 ZINC001249286937 945629364 /nfs/dbraw/zinc/62/93/64/945629364.db2.gz BAYFTWNUJJOHJM-LBPRGKRZSA-N 1 3 303.366 0.543 20 0 DCADHO C[NH+](C)CCNC(=S)N1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001249837549 945649337 /nfs/dbraw/zinc/64/93/37/945649337.db2.gz DCPNSKPEASRXMB-QWHCGFSZSA-N 1 3 302.463 0.931 20 0 DCADHO COc1cccc([C@H](O)C[NH2+]CCN2CCCN(C)CC2)c1 ZINC001250729451 945670864 /nfs/dbraw/zinc/67/08/64/945670864.db2.gz FVPSALYIGQMGEN-QGZVFWFLSA-N 1 3 307.438 0.956 20 0 DCADHO C[NH+]1CCC(CN2CCN(C[C@H](O)C(F)(F)F)CC2)CC1 ZINC001250972977 945695754 /nfs/dbraw/zinc/69/57/54/945695754.db2.gz CHZUQBWAVIZJEJ-ZDUSSCGKSA-N 1 3 309.376 0.869 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C)N(C)C ZINC001320615236 945950692 /nfs/dbraw/zinc/95/06/92/945950692.db2.gz QRDGTBJDRKBMHE-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001320644012 945961061 /nfs/dbraw/zinc/96/10/61/945961061.db2.gz IZHJXRZXCRGDIG-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001410233039 946068866 /nfs/dbraw/zinc/06/88/66/946068866.db2.gz NCFMWLHZYVDRTP-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253160364 946075434 /nfs/dbraw/zinc/07/54/34/946075434.db2.gz NPEXGZMJUREILD-IAGOWNOFSA-N 1 3 322.449 0.893 20 0 DCADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253160364 946075447 /nfs/dbraw/zinc/07/54/47/946075447.db2.gz NPEXGZMJUREILD-IAGOWNOFSA-N 1 3 322.449 0.893 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1nncn1C ZINC001410269939 946119987 /nfs/dbraw/zinc/11/99/87/946119987.db2.gz PRVFRRYNEIFGTH-ZIAGYGMSSA-N 1 3 322.457 0.530 20 0 DCADHO O[C@@H]1COCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035163 946223745 /nfs/dbraw/zinc/22/37/45/946223745.db2.gz SKZPHYIDDQAFKL-KRWDZBQOSA-N 1 3 320.433 0.707 20 0 DCADHO O[C@@H]1COCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035163 946223756 /nfs/dbraw/zinc/22/37/56/946223756.db2.gz SKZPHYIDDQAFKL-KRWDZBQOSA-N 1 3 320.433 0.707 20 0 DCADHO O[C@@H]1COCCN(CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254035163 946223769 /nfs/dbraw/zinc/22/37/69/946223769.db2.gz SKZPHYIDDQAFKL-KRWDZBQOSA-N 1 3 320.433 0.707 20 0 DCADHO CN1CCC[C@H](NC/C=C/CNC(=O)CCC[NH+](C)C)C1=O ZINC001321224480 946225087 /nfs/dbraw/zinc/22/50/87/946225087.db2.gz ZXZWTQOGSZWFLF-NNTXTVRGSA-N 1 3 310.442 0.211 20 0 DCADHO Nc1ccncc1-c1cn(C[C@H]2C[C@@]3(CCC[NH2+]3)CO2)nn1 ZINC001254063723 946229986 /nfs/dbraw/zinc/22/99/86/946229986.db2.gz HGGOSBBPDVHVRZ-ABAIWWIYSA-N 1 3 300.366 0.664 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001410374858 946269309 /nfs/dbraw/zinc/26/93/09/946269309.db2.gz IQWVXZNQBYCJLH-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410397540 946304820 /nfs/dbraw/zinc/30/48/20/946304820.db2.gz FPCHUFGGNDGAKQ-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410397540 946304831 /nfs/dbraw/zinc/30/48/31/946304831.db2.gz FPCHUFGGNDGAKQ-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001410446672 946389263 /nfs/dbraw/zinc/38/92/63/946389263.db2.gz XMCQSDLYMANILM-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001410446672 946389274 /nfs/dbraw/zinc/38/92/74/946389274.db2.gz XMCQSDLYMANILM-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCS(=O)(=O)N([C@@H]1CCC[NH2+]C1)[C@H]1CCCN(C)CC1 ZINC001254532396 946406188 /nfs/dbraw/zinc/40/61/88/946406188.db2.gz SCMZYVIBMRJNAE-UONOGXRCSA-N 1 3 303.472 0.874 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1ccnn1C)[NH+](C)C ZINC001410475331 946464369 /nfs/dbraw/zinc/46/43/69/946464369.db2.gz OOMXHAMJDDVEBJ-ZFWWWQNUSA-N 1 3 309.458 0.943 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCCN(C)C1=O ZINC001410499234 946489672 /nfs/dbraw/zinc/48/96/72/946489672.db2.gz QQIDYEWPVQTBAS-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3ncccc3[O-])C2)C1=O ZINC001273325994 946644206 /nfs/dbraw/zinc/64/42/06/946644206.db2.gz VAQBRXWGXJOJBO-KRWDZBQOSA-N 1 3 318.421 0.773 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3ncccc3[O-])C2)C1=O ZINC001273325994 946644214 /nfs/dbraw/zinc/64/42/14/946644214.db2.gz VAQBRXWGXJOJBO-KRWDZBQOSA-N 1 3 318.421 0.773 20 0 DCADHO O=c1[nH][nH]cc1CCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678549 946652455 /nfs/dbraw/zinc/65/24/55/946652455.db2.gz NRTBRUDSJHOHGA-NFOMZHRRSA-N 1 3 308.426 0.731 20 0 DCADHO Cc1nc(=N)n(C2CCC(N3CCOCC3)CC2)cc1C[NH3+] ZINC001256687759 946655597 /nfs/dbraw/zinc/65/55/97/946655597.db2.gz IHKIKJPNYFUDGJ-UHFFFAOYSA-N 1 3 305.426 0.946 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001322443384 946679890 /nfs/dbraw/zinc/67/98/90/946679890.db2.gz ZLPYGWOFWUWRGM-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN1C[C@@H]2C[NH+](C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001257242663 946720836 /nfs/dbraw/zinc/72/08/36/946720836.db2.gz DLXAHFZTPSPBNH-ZIAGYGMSSA-N 1 3 315.483 0.684 20 0 DCADHO CCC[NH+]1C[C@@H]2CN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001257242663 946720840 /nfs/dbraw/zinc/72/08/40/946720840.db2.gz DLXAHFZTPSPBNH-ZIAGYGMSSA-N 1 3 315.483 0.684 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001410842779 947016054 /nfs/dbraw/zinc/01/60/54/947016054.db2.gz FWSXFDSDUAVCLU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC)[C@H]1C ZINC001410860747 947045519 /nfs/dbraw/zinc/04/55/19/947045519.db2.gz OARCNCZNFUITHW-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC)[C@H]1C ZINC001410860747 947045533 /nfs/dbraw/zinc/04/55/33/947045533.db2.gz OARCNCZNFUITHW-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001410864099 947047209 /nfs/dbraw/zinc/04/72/09/947047209.db2.gz SERYVZBSKZPELR-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001437197037 947051408 /nfs/dbraw/zinc/05/14/08/947051408.db2.gz GABQACIEFPLYIJ-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001262068304 947549296 /nfs/dbraw/zinc/54/92/96/947549296.db2.gz XHDIVRCARWKORH-YUTCNCBUSA-N 1 3 308.426 0.139 20 0 DCADHO C[C@@H](NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C1CC1 ZINC001179486393 947852029 /nfs/dbraw/zinc/85/20/29/947852029.db2.gz LZDQXOWGWSAEFN-IPYPFGDCSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](C(=O)NCCCCCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001179498663 947856592 /nfs/dbraw/zinc/85/65/92/947856592.db2.gz BYQIQMRXWZPTEV-ZIAGYGMSSA-N 1 3 314.474 0.713 20 0 DCADHO CC[C@H]([NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001179609559 947875113 /nfs/dbraw/zinc/87/51/13/947875113.db2.gz WJCMXUKBOZSNHD-KBPBESRZSA-N 1 3 314.474 0.857 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179656913 947881504 /nfs/dbraw/zinc/88/15/04/947881504.db2.gz SLEJJFNWOCUOSR-IPYPFGDCSA-N 1 3 324.469 0.432 20 0 DCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@H+](C)CC3)C2=O)CC1 ZINC001273516529 947937933 /nfs/dbraw/zinc/93/79/33/947937933.db2.gz CGUCYZCPEDTIHK-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@@H+](C)CC3)C2=O)CC1 ZINC001273516529 947937940 /nfs/dbraw/zinc/93/79/40/947937940.db2.gz CGUCYZCPEDTIHK-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CN(C)C1(C(=O)N(CCO)CC[NH2+]C/C=C/Cl)CCC1 ZINC001326034504 948028021 /nfs/dbraw/zinc/02/80/21/948028021.db2.gz SZYKAIBJFFKXCN-QPJJXVBHSA-N 1 3 303.834 0.634 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@@H]2COCCO2)C1=O ZINC001273774573 948080101 /nfs/dbraw/zinc/08/01/01/948080101.db2.gz QFEIDBPSDYQZNP-ZBFHGGJFSA-N 1 3 311.426 0.030 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001487780456 948271254 /nfs/dbraw/zinc/27/12/54/948271254.db2.gz FQGVATPGFXEOSA-YPMHNXCESA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001487780456 948271262 /nfs/dbraw/zinc/27/12/62/948271262.db2.gz FQGVATPGFXEOSA-YPMHNXCESA-N 1 3 321.425 0.175 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC(=O)N1CCC1 ZINC001327943127 948671171 /nfs/dbraw/zinc/67/11/71/948671171.db2.gz ZCHFHSFLYQYMRO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCCCC1 ZINC001491566983 948730740 /nfs/dbraw/zinc/73/07/40/948730740.db2.gz BWZCAFMJYUBVTP-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC001488774003 949169796 /nfs/dbraw/zinc/16/97/96/949169796.db2.gz QTBIDQTYNCPWNV-KBXIAJHMSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)C1 ZINC001265181384 949417674 /nfs/dbraw/zinc/41/76/74/949417674.db2.gz YYXJSDCAQQMCAL-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)C1 ZINC001265181384 949417690 /nfs/dbraw/zinc/41/76/90/949417690.db2.gz YYXJSDCAQQMCAL-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001489034869 949445216 /nfs/dbraw/zinc/44/52/16/949445216.db2.gz BHYJJBIWZLZGJO-YIYPIFLZSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCC(N)=O)CC[N@H+]1C ZINC001489034869 949445223 /nfs/dbraw/zinc/44/52/23/949445223.db2.gz BHYJJBIWZLZGJO-YIYPIFLZSA-N 1 3 310.442 0.029 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001489240367 949655857 /nfs/dbraw/zinc/65/58/57/949655857.db2.gz OQQNBLNLIVKIBR-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001489240367 949655867 /nfs/dbraw/zinc/65/58/67/949655867.db2.gz OQQNBLNLIVKIBR-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CN(CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCNC1=O ZINC001265865335 950057022 /nfs/dbraw/zinc/05/70/22/950057022.db2.gz YHNMVMHFVQJZQA-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCNC1=O ZINC001265865335 950057043 /nfs/dbraw/zinc/05/70/43/950057043.db2.gz YHNMVMHFVQJZQA-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCCNC1=O ZINC001490194849 950414326 /nfs/dbraw/zinc/41/43/26/950414326.db2.gz CEFJURXMFAUKHQ-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO OCCCOCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001330702687 950600557 /nfs/dbraw/zinc/60/05/57/950600557.db2.gz YITKGYHXWSJWAV-QGZVFWFLSA-N 1 3 308.422 0.612 20 0 DCADHO OCCCOCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001330702687 950600574 /nfs/dbraw/zinc/60/05/74/950600574.db2.gz YITKGYHXWSJWAV-QGZVFWFLSA-N 1 3 308.422 0.612 20 0 DCADHO CCCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001280000566 950753426 /nfs/dbraw/zinc/75/34/26/950753426.db2.gz VZZXJMUPMQZQCE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001280150645 950779108 /nfs/dbraw/zinc/77/91/08/950779108.db2.gz BQUMFUGVZDNWMS-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+](CCOCCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001331075105 950878022 /nfs/dbraw/zinc/87/80/22/950878022.db2.gz RPLWWUVPHOHINF-UHFFFAOYSA-N 1 3 313.442 0.014 20 0 DCADHO C[N@@H+](CCOCCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001331075105 950878039 /nfs/dbraw/zinc/87/80/39/950878039.db2.gz RPLWWUVPHOHINF-UHFFFAOYSA-N 1 3 313.442 0.014 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001490668091 950975399 /nfs/dbraw/zinc/97/53/99/950975399.db2.gz LTPBLANQGJEPMA-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N1CCCCC1 ZINC001441599296 951238492 /nfs/dbraw/zinc/23/84/92/951238492.db2.gz UZCGGWHJHZYDKU-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)CN1CCCC1 ZINC001331941089 951399416 /nfs/dbraw/zinc/39/94/16/951399416.db2.gz URFUQUBKQONDJM-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001365827407 951590116 /nfs/dbraw/zinc/59/01/16/951590116.db2.gz DKJHHKWIYUDYLM-OKILXGFUSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nn(C)cc1CNC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001274367834 951591119 /nfs/dbraw/zinc/59/11/19/951591119.db2.gz HLOWKONUEHPGGG-ISZGNANSSA-N 1 3 319.453 0.832 20 0 DCADHO Cc1nn(C)cc1CNC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274367834 951591123 /nfs/dbraw/zinc/59/11/23/951591123.db2.gz HLOWKONUEHPGGG-ISZGNANSSA-N 1 3 319.453 0.832 20 0 DCADHO CN(CC(=O)N1CCC(O)(C[NH2+]CCF)CC1)CC(C)(C)C ZINC001274558164 951696686 /nfs/dbraw/zinc/69/66/86/951696686.db2.gz IBOZRNLCJWLZSV-UHFFFAOYSA-N 1 3 317.449 0.877 20 0 DCADHO CN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001275044784 951940094 /nfs/dbraw/zinc/94/00/94/951940094.db2.gz FVSQPQDFVWTBKP-KBPBESRZSA-N 1 3 316.405 0.429 20 0 DCADHO CN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@@H]12 ZINC001275044784 951940102 /nfs/dbraw/zinc/94/01/02/951940102.db2.gz FVSQPQDFVWTBKP-KBPBESRZSA-N 1 3 316.405 0.429 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001275298144 952052760 /nfs/dbraw/zinc/05/27/60/952052760.db2.gz WKXIIOFSTXGCEG-DZGCQCFKSA-N 1 3 309.458 0.643 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001415559850 952524895 /nfs/dbraw/zinc/52/48/95/952524895.db2.gz XVTHJHMAQPJGAJ-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]1CN(CCCC[NH2+]CCC(=O)NC(N)=O)C[C@H](C)O1 ZINC001335395252 952531957 /nfs/dbraw/zinc/53/19/57/952531957.db2.gz RYJPAGMEXIUSRL-RYUDHWBXSA-N 1 3 300.403 0.050 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCCCN2C)CC1 ZINC001335727323 952589675 /nfs/dbraw/zinc/58/96/75/952589675.db2.gz NVXGEAPSLJBMEZ-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC(=O)N(C)C2CC2)CCC1 ZINC001276048688 952872914 /nfs/dbraw/zinc/87/29/14/952872914.db2.gz VVVQWXUVHKQZAK-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC1CC1 ZINC001276173651 952968821 /nfs/dbraw/zinc/96/88/21/952968821.db2.gz ICVKOUMKXYHNRX-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC1CC1 ZINC001276173659 952968944 /nfs/dbraw/zinc/96/89/44/952968944.db2.gz ICVKOUMKXYHNRX-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](C(=O)NCCN(C)CCOCCO)[NH+]1[C@H](C)CC[C@H]1C ZINC001339881126 953126803 /nfs/dbraw/zinc/12/68/03/953126803.db2.gz IWDLIXSDDGJSFI-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001340114134 953145912 /nfs/dbraw/zinc/14/59/12/953145912.db2.gz TWHROXIOEGOZIY-MRXNPFEDSA-N 1 3 322.497 0.910 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NCCC[NH2+]C3CC3)ccc2NC1=O ZINC001341280172 953221036 /nfs/dbraw/zinc/22/10/36/953221036.db2.gz KCGKSSPUOCDIDG-CQSZACIVSA-N 1 3 316.405 0.771 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001341627925 953241572 /nfs/dbraw/zinc/24/15/72/953241572.db2.gz ULERJRGEVCHXEY-INIZCTEOSA-N 1 3 322.497 0.910 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366078681 953657231 /nfs/dbraw/zinc/65/72/31/953657231.db2.gz NXEWYITWEVPKEJ-CABCVRRESA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366078681 953657240 /nfs/dbraw/zinc/65/72/40/953657240.db2.gz NXEWYITWEVPKEJ-CABCVRRESA-N 1 3 324.469 0.195 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)NC2CCN(C3CC3)CC2)nn1 ZINC001345732719 953711169 /nfs/dbraw/zinc/71/11/69/953711169.db2.gz IYPAHRQGQMGHEX-UHFFFAOYSA-N 1 3 306.414 0.374 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001366121845 953713015 /nfs/dbraw/zinc/71/30/15/953713015.db2.gz APYXNBBSUSFCTD-RBSFLKMASA-N 1 3 324.469 0.622 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001366272577 953935164 /nfs/dbraw/zinc/93/51/64/953935164.db2.gz GDPQASDUKUCVRY-LALPHHSUSA-N 1 3 305.426 0.720 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001366272577 953935169 /nfs/dbraw/zinc/93/51/69/953935169.db2.gz GDPQASDUKUCVRY-LALPHHSUSA-N 1 3 305.426 0.720 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001366296351 953977962 /nfs/dbraw/zinc/97/79/62/953977962.db2.gz WBHMNGSJYIHVHW-OCCSQVGLSA-N 1 3 300.447 0.192 20 0 DCADHO CC[C@@H](N[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001366351797 954078531 /nfs/dbraw/zinc/07/85/31/954078531.db2.gz GRKBSULXCHEPAW-TZMCWYRMSA-N 1 3 312.458 0.465 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001366379780 954125784 /nfs/dbraw/zinc/12/57/84/954125784.db2.gz RWBMYHOQWJBQGP-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001366382262 954129755 /nfs/dbraw/zinc/12/97/55/954129755.db2.gz ZEIYWEOXAMFFEE-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nnc([C@H](C)NC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001366395986 954149116 /nfs/dbraw/zinc/14/91/16/954149116.db2.gz ARKQXSDSZQHYIG-WCQYABFASA-N 1 3 308.430 0.564 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001366486557 954264829 /nfs/dbraw/zinc/26/48/29/954264829.db2.gz CKMZYKIZNGEYRH-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001366514789 954304907 /nfs/dbraw/zinc/30/49/07/954304907.db2.gz VHALVEUZHZBPQC-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)NCC[N@H+](C)C[C@H]1CCNC(=O)CC1)N(C)C ZINC001366583502 954462600 /nfs/dbraw/zinc/46/26/00/954462600.db2.gz LZTFGWOWQOJIKM-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCC[N@@H+](C)C[C@H]1CCNC(=O)CC1)N(C)C ZINC001366583502 954462603 /nfs/dbraw/zinc/46/26/03/954462603.db2.gz LZTFGWOWQOJIKM-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366886463 954997201 /nfs/dbraw/zinc/99/72/01/954997201.db2.gz IEIYNKYWOATCQF-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366886463 954997212 /nfs/dbraw/zinc/99/72/12/954997212.db2.gz IEIYNKYWOATCQF-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC(C)C ZINC001367133711 955370664 /nfs/dbraw/zinc/37/06/64/955370664.db2.gz FQWPOWDXUPPLLJ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)NCC1=CC[N@H+](C[C@H](O)COC)CC1)N(C)C ZINC001284976410 955379224 /nfs/dbraw/zinc/37/92/24/955379224.db2.gz HJGZRMFFSJMQRC-GJZGRUSLSA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@@H](C(=O)NCC1=CC[N@@H+](C[C@H](O)COC)CC1)N(C)C ZINC001284976410 955379237 /nfs/dbraw/zinc/37/92/37/955379237.db2.gz HJGZRMFFSJMQRC-GJZGRUSLSA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367213942 955466188 /nfs/dbraw/zinc/46/61/88/955466188.db2.gz NRBPQMBPJAIQDF-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001367213942 955466196 /nfs/dbraw/zinc/46/61/96/955466196.db2.gz NRBPQMBPJAIQDF-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001292998593 957228550 /nfs/dbraw/zinc/22/85/50/957228550.db2.gz KFIIMBSGFWYSBF-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001292998593 957228558 /nfs/dbraw/zinc/22/85/58/957228558.db2.gz KFIIMBSGFWYSBF-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO [NH3+]CCNCC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC001357361244 957254653 /nfs/dbraw/zinc/25/46/53/957254653.db2.gz GMDPCPYZSOLFDU-UHFFFAOYSA-N 1 3 306.410 0.130 20 0 DCADHO CC(C)[C@H](C(=O)NCCCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001293457562 957375030 /nfs/dbraw/zinc/37/50/30/957375030.db2.gz YMGBKZFYTBWLQX-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001367623488 958206602 /nfs/dbraw/zinc/20/66/02/958206602.db2.gz OVPYGBLCTJWPST-HOTGVXAUSA-N 1 3 307.438 0.902 20 0 DCADHO CC(C)n1nccc1C(=O)N[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001367673853 958331106 /nfs/dbraw/zinc/33/11/06/958331106.db2.gz GFHHPNUAEUDRET-CHWSQXEVSA-N 1 3 321.425 0.793 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001367713540 958426792 /nfs/dbraw/zinc/42/67/92/958426792.db2.gz CEYHRKLIVUQJRY-DOMZBBRYSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367732656 958462752 /nfs/dbraw/zinc/46/27/52/958462752.db2.gz BNYVKFCHZMZQOB-ZFWWWQNUSA-N 1 3 324.469 0.195 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001367757399 958512861 /nfs/dbraw/zinc/51/28/61/958512861.db2.gz KJHZJQFEZMLSAT-AVGNSLFASA-N 1 3 314.474 0.724 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)CCC[NH+](C)C ZINC001298309084 958536702 /nfs/dbraw/zinc/53/67/02/958536702.db2.gz BKNCJSPVNOAEAA-WSNITJDQSA-N 1 3 310.442 0.211 20 0 DCADHO C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001361960909 958543948 /nfs/dbraw/zinc/54/39/48/958543948.db2.gz KCJNWSYUACVLAU-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]([NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001376805585 958880099 /nfs/dbraw/zinc/88/00/99/958880099.db2.gz XUWLIEGGCDBIQB-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001491650961 959014061 /nfs/dbraw/zinc/01/40/61/959014061.db2.gz OEWXGIBHIZOQTL-WCQYABFASA-N 1 3 321.425 0.271 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1 ZINC001367997330 959050857 /nfs/dbraw/zinc/05/08/57/959050857.db2.gz NMAOUNGOPUXBAI-KBPBESRZSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1 ZINC001367997330 959050873 /nfs/dbraw/zinc/05/08/73/959050873.db2.gz NMAOUNGOPUXBAI-KBPBESRZSA-N 1 3 322.453 0.328 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC001376894759 959086904 /nfs/dbraw/zinc/08/69/04/959086904.db2.gz IKSSWQMMYUCSHT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC001376894759 959086918 /nfs/dbraw/zinc/08/69/18/959086918.db2.gz IKSSWQMMYUCSHT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001376898256 959096438 /nfs/dbraw/zinc/09/64/38/959096438.db2.gz FJYSOIKHONIPTN-HZSPNIEDSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001376898256 959096452 /nfs/dbraw/zinc/09/64/52/959096452.db2.gz FJYSOIKHONIPTN-HZSPNIEDSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COC)CC1 ZINC001376916090 959129051 /nfs/dbraw/zinc/12/90/51/959129051.db2.gz YIWMKXLVDKXBCR-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COC)CC1 ZINC001376916090 959129062 /nfs/dbraw/zinc/12/90/62/959129062.db2.gz YIWMKXLVDKXBCR-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001491729649 959155673 /nfs/dbraw/zinc/15/56/73/959155673.db2.gz BQIQSYOQTCBJTM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001491729649 959155683 /nfs/dbraw/zinc/15/56/83/959155683.db2.gz BQIQSYOQTCBJTM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001376958040 959204756 /nfs/dbraw/zinc/20/47/56/959204756.db2.gz OYEWULHVZBJPPF-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001376976730 959232123 /nfs/dbraw/zinc/23/21/23/959232123.db2.gz VNDOPXFMPVAWFC-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001368104513 959244700 /nfs/dbraw/zinc/24/47/00/959244700.db2.gz SOXRNVXZZWXDSK-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001368115399 959272871 /nfs/dbraw/zinc/27/28/71/959272871.db2.gz JYQRFVKKBQOXBE-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491832269 959280044 /nfs/dbraw/zinc/28/00/44/959280044.db2.gz LMVBVOUNYCUNCJ-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCN2C)ncn1 ZINC001377010333 959307722 /nfs/dbraw/zinc/30/77/22/959307722.db2.gz HAOUDPQLURAZFW-IUODEOHRSA-N 1 3 305.426 0.864 20 0 DCADHO COc1cncc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCN2C)n1 ZINC001377009825 959309188 /nfs/dbraw/zinc/30/91/88/959309188.db2.gz GPFXUEHFALRTRQ-TZMCWYRMSA-N 1 3 321.425 0.564 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001491859186 959315460 /nfs/dbraw/zinc/31/54/60/959315460.db2.gz QVIZCHADCLYCNZ-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CC2CC2)C1)N(C)C ZINC001377173876 959624875 /nfs/dbraw/zinc/62/48/75/959624875.db2.gz HLAWEPFSOXDXMZ-DOTOQJQBSA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001368346123 959708337 /nfs/dbraw/zinc/70/83/37/959708337.db2.gz FDUBCBXYBAXWBA-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001377225522 959734228 /nfs/dbraw/zinc/73/42/28/959734228.db2.gz AORGDOCETBFYLQ-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001377225522 959734240 /nfs/dbraw/zinc/73/42/40/959734240.db2.gz AORGDOCETBFYLQ-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001492256904 959763023 /nfs/dbraw/zinc/76/30/23/959763023.db2.gz LKRBJQALZZAQTG-TZMCWYRMSA-N 1 3 323.441 0.699 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001492256904 959763033 /nfs/dbraw/zinc/76/30/33/959763033.db2.gz LKRBJQALZZAQTG-TZMCWYRMSA-N 1 3 323.441 0.699 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC2CC2)[C@@H](C)C1 ZINC001377264777 959822418 /nfs/dbraw/zinc/82/24/18/959822418.db2.gz HNURYQCYTAIJLD-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)COC)N(C)C ZINC001368456498 959892320 /nfs/dbraw/zinc/89/23/20/959892320.db2.gz RVWLOSHUBPMGPU-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO CN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)CN1CCCC1 ZINC001492416713 959938589 /nfs/dbraw/zinc/93/85/89/959938589.db2.gz XZWQQTFHBMKBSY-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001377335766 959939231 /nfs/dbraw/zinc/93/92/31/959939231.db2.gz KODZOXMIBPMYBT-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001377335766 959939239 /nfs/dbraw/zinc/93/92/39/959939239.db2.gz KODZOXMIBPMYBT-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001368500428 959943745 /nfs/dbraw/zinc/94/37/45/959943745.db2.gz LHBHZQREWIAPIO-YIYPIFLZSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001368517219 959971672 /nfs/dbraw/zinc/97/16/72/959971672.db2.gz SPEMXRXDVVBYOG-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001368521029 959973219 /nfs/dbraw/zinc/97/32/19/959973219.db2.gz JCMDWSZTFPYNCG-YIYPIFLZSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1CCN1CCCC1=O ZINC001377393102 960020168 /nfs/dbraw/zinc/02/01/68/960020168.db2.gz NMYJRXOCYYNHSP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCn2cncn2)CC1)N(C)C ZINC001368666504 960139967 /nfs/dbraw/zinc/13/99/67/960139967.db2.gz YVAGBBKUNSMICB-AWEZNQCLSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001368670662 960143232 /nfs/dbraw/zinc/14/32/32/960143232.db2.gz XXIHPYKEJNQJLY-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nnsc1CN[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377523641 960226686 /nfs/dbraw/zinc/22/66/86/960226686.db2.gz LCHDWLIPQBDSGL-JQWIXIFHSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CN[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377523641 960226696 /nfs/dbraw/zinc/22/66/96/960226696.db2.gz LCHDWLIPQBDSGL-JQWIXIFHSA-N 1 3 311.455 0.783 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001368753857 960229828 /nfs/dbraw/zinc/22/98/28/960229828.db2.gz BTFFXYRTPFKMKX-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001368812233 960308374 /nfs/dbraw/zinc/30/83/74/960308374.db2.gz SYPHPNBTDBNCEF-XUJLQICISA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001368824107 960322310 /nfs/dbraw/zinc/32/23/10/960322310.db2.gz UHBWLUMNUBVLEB-JXQTWKCFSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001377597354 960339219 /nfs/dbraw/zinc/33/92/19/960339219.db2.gz JMNOQTSSXKHVIU-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377597354 960339230 /nfs/dbraw/zinc/33/92/30/960339230.db2.gz JMNOQTSSXKHVIU-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(N)=O ZINC001377597785 960340689 /nfs/dbraw/zinc/34/06/89/960340689.db2.gz XBANQGVMRIGLLZ-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C)C(N)=O ZINC001377597785 960340700 /nfs/dbraw/zinc/34/07/00/960340700.db2.gz XBANQGVMRIGLLZ-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001377616342 960358449 /nfs/dbraw/zinc/35/84/49/960358449.db2.gz PKYGWLARHNTTIS-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001378323859 960583637 /nfs/dbraw/zinc/58/36/37/960583637.db2.gz ZCOSDTHVHIYJTQ-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001377767383 960609971 /nfs/dbraw/zinc/60/99/71/960609971.db2.gz LWHDWSFNRHSXHY-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)CCN1CC[C@@H](F)C1 ZINC001363231480 960653696 /nfs/dbraw/zinc/65/36/96/960653696.db2.gz MZZORSOEFBMEOW-CQSZACIVSA-N 1 3 302.438 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001377791906 960668596 /nfs/dbraw/zinc/66/85/96/960668596.db2.gz YEYZASCDBXQJHI-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001377791906 960668604 /nfs/dbraw/zinc/66/86/04/960668604.db2.gz YEYZASCDBXQJHI-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NCc1cnn(C)c1)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001377853325 960820327 /nfs/dbraw/zinc/82/03/27/960820327.db2.gz UKZIQWCOZILHCU-CHWSQXEVSA-N 1 3 307.442 0.745 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001378596123 961098228 /nfs/dbraw/zinc/09/82/28/961098228.db2.gz HOUJYEWVLKFOGX-CYBMUJFWSA-N 1 3 319.453 0.969 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@@H]1c1ccc(F)cc1 ZINC001549031025 1013235610 /nfs/dbraw/zinc/23/56/10/1013235610.db2.gz OZGDYYOSLLWMFR-RRFJBIMHSA-N 1 3 307.369 0.457 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001378858361 961614894 /nfs/dbraw/zinc/61/48/94/961614894.db2.gz OKVZSDRXNOFTON-QWHCGFSZSA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001378871038 961635705 /nfs/dbraw/zinc/63/57/05/961635705.db2.gz XLBLRGBSLCHFPL-UMVBOHGHSA-N 1 3 322.457 0.623 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](N[C@@H](C)C(N)=O)C(C)(C)C1 ZINC001379731589 961883775 /nfs/dbraw/zinc/88/37/75/961883775.db2.gz NNCIKCKEQCXGFU-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](N[C@@H](C)C(N)=O)C(C)(C)C1 ZINC001379731589 961883798 /nfs/dbraw/zinc/88/37/98/961883798.db2.gz NNCIKCKEQCXGFU-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C/Cl ZINC001379231387 962419977 /nfs/dbraw/zinc/41/99/77/962419977.db2.gz QVZNKGLJTZSKPC-RPGNDLBOSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C/Cl ZINC001379231387 962419988 /nfs/dbraw/zinc/41/99/88/962419988.db2.gz QVZNKGLJTZSKPC-RPGNDLBOSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C/Cl ZINC001379231387 962420002 /nfs/dbraw/zinc/42/00/02/962420002.db2.gz QVZNKGLJTZSKPC-RPGNDLBOSA-N 1 3 324.252 0.856 20 0 DCADHO O=C([C@H]1CCN1C1CCCC1)N1CC([NH2+]C2CCOCC2)C1 ZINC001364086732 962442341 /nfs/dbraw/zinc/44/23/41/962442341.db2.gz CUNVHNVDULJKOH-MRXNPFEDSA-N 1 3 307.438 0.983 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC1CCCC1 ZINC001379317631 962610249 /nfs/dbraw/zinc/61/02/49/962610249.db2.gz DANOQPQBLOZTND-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(C)C)CC[N@@H+]1C ZINC001379361067 962723768 /nfs/dbraw/zinc/72/37/68/962723768.db2.gz YWPVNLQHPHKUJP-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(C)C)CC[N@H+]1C ZINC001379361067 962723776 /nfs/dbraw/zinc/72/37/76/962723776.db2.gz YWPVNLQHPHKUJP-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](CC(N)=O)CC2CC2)CC1 ZINC001380177370 962831631 /nfs/dbraw/zinc/83/16/31/962831631.db2.gz IFYQYIPGVVEULO-OAHLLOKOSA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](CC(N)=O)CC2CC2)CC1 ZINC001380177370 962831641 /nfs/dbraw/zinc/83/16/41/962831641.db2.gz IFYQYIPGVVEULO-OAHLLOKOSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)CCC[NH+](C)C)C2)C1 ZINC001379439633 962927857 /nfs/dbraw/zinc/92/78/57/962927857.db2.gz LADGVOICTRILQL-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001364344744 962930586 /nfs/dbraw/zinc/93/05/86/962930586.db2.gz FZIVLIXBOZGVGL-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001364344744 962930594 /nfs/dbraw/zinc/93/05/94/962930594.db2.gz FZIVLIXBOZGVGL-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001380266443 962957184 /nfs/dbraw/zinc/95/71/84/962957184.db2.gz JMDMLAOCOBAIJJ-YPMHNXCESA-N 1 3 319.409 0.200 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001380266438 962957231 /nfs/dbraw/zinc/95/72/31/962957231.db2.gz JMDMLAOCOBAIJJ-WCQYABFASA-N 1 3 319.409 0.200 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)CC1 ZINC001380279153 962981990 /nfs/dbraw/zinc/98/19/90/962981990.db2.gz GJHFFNBSLMCJBU-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001380282217 962985631 /nfs/dbraw/zinc/98/56/31/962985631.db2.gz CZNKJVAWYCHTBC-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCCC[C@@H](C(N)=O)N1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380378227 963129007 /nfs/dbraw/zinc/12/90/07/963129007.db2.gz PJGPJEGTWPPDGE-YOEHRIQHSA-N 1 3 324.469 0.707 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001380396335 963155343 /nfs/dbraw/zinc/15/53/43/963155343.db2.gz DWYFDYHQNKPAFL-NVXWUHKLSA-N 1 3 319.453 0.843 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@H]1C ZINC001379560248 963181571 /nfs/dbraw/zinc/18/15/71/963181571.db2.gz CIHYTVKFOXWNIQ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@H]1C ZINC001379560248 963181578 /nfs/dbraw/zinc/18/15/78/963181578.db2.gz CIHYTVKFOXWNIQ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001380456508 963215571 /nfs/dbraw/zinc/21/55/71/963215571.db2.gz ICYZRUIJIMNXIL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001380456508 963215578 /nfs/dbraw/zinc/21/55/78/963215578.db2.gz ICYZRUIJIMNXIL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001379591761 963230613 /nfs/dbraw/zinc/23/06/13/963230613.db2.gz VVGWVTNJJDNLKU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001379595675 963240732 /nfs/dbraw/zinc/24/07/32/963240732.db2.gz JFRIZERSSUOCKS-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001379689192 963386007 /nfs/dbraw/zinc/38/60/07/963386007.db2.gz NMEXURALXDEBGQ-PBHICJAKSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001379689192 963386015 /nfs/dbraw/zinc/38/60/15/963386015.db2.gz NMEXURALXDEBGQ-PBHICJAKSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001380875220 963650319 /nfs/dbraw/zinc/65/03/19/963650319.db2.gz BZZIIJNPEWEGKN-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001380875220 963650324 /nfs/dbraw/zinc/65/03/24/963650324.db2.gz BZZIIJNPEWEGKN-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001381126826 963831969 /nfs/dbraw/zinc/83/19/69/963831969.db2.gz DPFYTSWDDWOYCE-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC([C@H]2CCCN(CC(N)=O)C2)CC1 ZINC001381309747 963961673 /nfs/dbraw/zinc/96/16/73/963961673.db2.gz ARHQTAOZNBZMRZ-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCn2cccn2)CC1 ZINC001447537197 1013460583 /nfs/dbraw/zinc/46/05/83/1013460583.db2.gz FQWHQSLNOGZSHU-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)[C@@H](C)C1 ZINC001447540902 1013462662 /nfs/dbraw/zinc/46/26/62/1013462662.db2.gz NSIMNZMUZRCKLN-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)[C@@H](C)C1 ZINC001447540902 1013462667 /nfs/dbraw/zinc/46/26/67/1013462667.db2.gz NSIMNZMUZRCKLN-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccnn1C)N(C)C ZINC001375139374 964045968 /nfs/dbraw/zinc/04/59/68/964045968.db2.gz YIMLVWYVTMERGO-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001375139374 964045980 /nfs/dbraw/zinc/04/59/80/964045980.db2.gz YIMLVWYVTMERGO-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccnn1C)N(C)C ZINC001375139372 964046261 /nfs/dbraw/zinc/04/62/61/964046261.db2.gz YIMLVWYVTMERGO-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001375139372 964046269 /nfs/dbraw/zinc/04/62/69/964046269.db2.gz YIMLVWYVTMERGO-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001368880202 964091079 /nfs/dbraw/zinc/09/10/79/964091079.db2.gz QFAAPTPMLMZCKX-STQMWFEESA-N 1 3 320.437 0.591 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001375175107 964097768 /nfs/dbraw/zinc/09/77/68/964097768.db2.gz QWCQGWGWQCVBKU-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCNC1=O ZINC001368926853 964138626 /nfs/dbraw/zinc/13/86/26/964138626.db2.gz URWVPHLLHGXVGY-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC001373646027 964420943 /nfs/dbraw/zinc/42/09/43/964420943.db2.gz DNAUUTNWNCCBSY-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC001373646027 964420949 /nfs/dbraw/zinc/42/09/49/964420949.db2.gz DNAUUTNWNCCBSY-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO COC[C@H](O)C[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001369185319 964502194 /nfs/dbraw/zinc/50/21/94/964502194.db2.gz MQDMOZUDTDWWFQ-OAHLLOKOSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001369185319 964502200 /nfs/dbraw/zinc/50/22/00/964502200.db2.gz MQDMOZUDTDWWFQ-OAHLLOKOSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001375529283 964519058 /nfs/dbraw/zinc/51/90/58/964519058.db2.gz JQQMYNMUQKJITO-IHRRRGAJSA-N 1 3 324.469 0.609 20 0 DCADHO Cc1nc(CNC[C@@H](C2CC2)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001369222212 964545045 /nfs/dbraw/zinc/54/50/45/964545045.db2.gz LTQBVKKOTVQCSI-KGLIPLIRSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CNC[C@@H](C2CC2)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001369222212 964545061 /nfs/dbraw/zinc/54/50/61/964545061.db2.gz LTQBVKKOTVQCSI-KGLIPLIRSA-N 1 3 320.441 0.391 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001369249767 964593872 /nfs/dbraw/zinc/59/38/72/964593872.db2.gz SHEXMSQBESMNRU-KWCYVHTRSA-N 1 3 322.457 0.780 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001369249767 964593882 /nfs/dbraw/zinc/59/38/82/964593882.db2.gz SHEXMSQBESMNRU-KWCYVHTRSA-N 1 3 322.457 0.780 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001369300942 964682111 /nfs/dbraw/zinc/68/21/11/964682111.db2.gz ZOXVDZLPTQKHLJ-DZGCQCFKSA-N 1 3 314.474 0.534 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001373833864 964694146 /nfs/dbraw/zinc/69/41/46/964694146.db2.gz URAZQIVYRACOHZ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001373833864 964694153 /nfs/dbraw/zinc/69/41/53/964694153.db2.gz URAZQIVYRACOHZ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001373836961 964697310 /nfs/dbraw/zinc/69/73/10/964697310.db2.gz RHWDXENQNRZHHY-HNNXBMFYSA-N 1 3 322.453 0.710 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H](C)C(=O)NC)CCCC1)N(C)C ZINC001373859683 964724830 /nfs/dbraw/zinc/72/48/30/964724830.db2.gz FFGQHMSPAXXSTP-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001375756858 964799384 /nfs/dbraw/zinc/79/93/84/964799384.db2.gz MKNJKMKKMFZJFD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001375763745 964810042 /nfs/dbraw/zinc/81/00/42/964810042.db2.gz ADLJSSWGHNYMBA-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375763745 964810047 /nfs/dbraw/zinc/81/00/47/964810047.db2.gz ADLJSSWGHNYMBA-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001369398533 964898546 /nfs/dbraw/zinc/89/85/46/964898546.db2.gz GKRCAXKIIMLOAL-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001375875099 964952599 /nfs/dbraw/zinc/95/25/99/964952599.db2.gz VRCOOIVLVITMAQ-KRWDZBQOSA-N 1 3 324.469 0.564 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)n[nH]1 ZINC001369431919 964966616 /nfs/dbraw/zinc/96/66/16/964966616.db2.gz CDTXLQOANAYSEV-AAEUAGOBSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1 ZINC001374068129 964971231 /nfs/dbraw/zinc/97/12/31/964971231.db2.gz GMUQDSCYYSXGIC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C)C(N)=O ZINC001369453204 965002161 /nfs/dbraw/zinc/00/21/61/965002161.db2.gz FEHFPVAODWDBHR-QWHCGFSZSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C)C(N)=O ZINC001369562624 965176886 /nfs/dbraw/zinc/17/68/86/965176886.db2.gz JXZCYYYFRYXJBM-YPMHNXCESA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001374271830 965208595 /nfs/dbraw/zinc/20/85/95/965208595.db2.gz QAUJEKQJHMYMFH-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001376156690 965302230 /nfs/dbraw/zinc/30/22/30/965302230.db2.gz DHWUJGWCYURXTG-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001376156690 965302242 /nfs/dbraw/zinc/30/22/42/965302242.db2.gz DHWUJGWCYURXTG-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001374377445 965322843 /nfs/dbraw/zinc/32/28/43/965322843.db2.gz LGQPUEFTTHYCEM-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@H](C)C(N)=O ZINC001374387078 965331697 /nfs/dbraw/zinc/33/16/97/965331697.db2.gz NQEQMQOOZOZKKN-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376279772 965475267 /nfs/dbraw/zinc/47/52/67/965475267.db2.gz FMAIYTPMDHKXEZ-UKRRQHHQSA-N 1 3 324.425 0.130 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376279772 965475277 /nfs/dbraw/zinc/47/52/77/965475277.db2.gz FMAIYTPMDHKXEZ-UKRRQHHQSA-N 1 3 324.425 0.130 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](O)COC ZINC001374558561 965531536 /nfs/dbraw/zinc/53/15/36/965531536.db2.gz YEGVBOOTXZELNM-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H](O)COC ZINC001374558561 965531542 /nfs/dbraw/zinc/53/15/42/965531542.db2.gz YEGVBOOTXZELNM-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C[C@@H](O)COC ZINC001374558561 965531547 /nfs/dbraw/zinc/53/15/47/965531547.db2.gz YEGVBOOTXZELNM-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C[C@@H](O)COC ZINC001374558561 965531555 /nfs/dbraw/zinc/53/15/55/965531555.db2.gz YEGVBOOTXZELNM-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376334890 965537082 /nfs/dbraw/zinc/53/70/82/965537082.db2.gz XTCMKBVFGJUGIP-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](F)CNC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001374614155 965640445 /nfs/dbraw/zinc/64/04/45/965640445.db2.gz GNDHWJVLJUIMPD-ZIAGYGMSSA-N 1 3 315.433 0.677 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCc3cnn(C)c3)C2)CCC1 ZINC001376467673 965697013 /nfs/dbraw/zinc/69/70/13/965697013.db2.gz UTJRHRLIBSARJQ-GASCZTMLSA-N 1 3 319.453 0.684 20 0 DCADHO CC(C)(C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)N1CCCCC1 ZINC001370175435 965857203 /nfs/dbraw/zinc/85/72/03/965857203.db2.gz KVNOVTMMEDWKEW-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001370263751 965937372 /nfs/dbraw/zinc/93/73/72/965937372.db2.gz JGWCDDDQCCTHTM-UKRRQHHQSA-N 1 3 312.458 0.145 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001376671714 965963131 /nfs/dbraw/zinc/96/31/31/965963131.db2.gz DVIAWXKFROBZRG-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001370406850 966092166 /nfs/dbraw/zinc/09/21/66/966092166.db2.gz BNKNSNIOEQINBF-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCCNC1=O ZINC001376744101 966106906 /nfs/dbraw/zinc/10/69/06/966106906.db2.gz CYCXSTTVTNRSTC-ZIAGYGMSSA-N 1 3 322.453 0.235 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001370525329 966214437 /nfs/dbraw/zinc/21/44/37/966214437.db2.gz SLZCWNHXPGFYPK-MGPQQGTHSA-N 1 3 315.458 0.208 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001370550627 966234166 /nfs/dbraw/zinc/23/41/66/966234166.db2.gz ZBAUUARWZQCZEN-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001370548310 966235448 /nfs/dbraw/zinc/23/54/48/966235448.db2.gz PCEQDGKVZXAFES-XDQVBPFNSA-N 1 3 310.442 0.184 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001370871619 966556060 /nfs/dbraw/zinc/55/60/60/966556060.db2.gz FTSXBGPXWNHPTB-TZMCWYRMSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001370871619 966556065 /nfs/dbraw/zinc/55/60/65/966556065.db2.gz FTSXBGPXWNHPTB-TZMCWYRMSA-N 1 3 321.425 0.400 20 0 DCADHO CN(Cc1cncn1C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001381986103 966845410 /nfs/dbraw/zinc/84/54/10/966845410.db2.gz SRMAXJNEQACLHH-UHFFFAOYSA-N 1 3 307.442 0.795 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCCNC1=O ZINC001371378880 966945145 /nfs/dbraw/zinc/94/51/45/966945145.db2.gz DAVAIHAGGMXVLJ-OCCSQVGLSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)n[nH]1 ZINC001382128341 966963957 /nfs/dbraw/zinc/96/39/57/966963957.db2.gz SRPQFQRPRHCLQF-NWDGAFQWSA-N 1 3 310.446 0.952 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001371610763 967169382 /nfs/dbraw/zinc/16/93/82/967169382.db2.gz DHOXZZZYIHXYTR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001382301810 967184902 /nfs/dbraw/zinc/18/49/02/967184902.db2.gz GVDQEXAJFXETRP-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccnn2C)C[C@H]1C ZINC001382304195 967189846 /nfs/dbraw/zinc/18/98/46/967189846.db2.gz APTHOTCQPOIOOS-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccnn2C)C[C@H]1C ZINC001382304195 967189853 /nfs/dbraw/zinc/18/98/53/967189853.db2.gz APTHOTCQPOIOOS-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccnn2C)C[C@@H]1C ZINC001382304201 967190866 /nfs/dbraw/zinc/19/08/66/967190866.db2.gz APTHOTCQPOIOOS-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccnn2C)C[C@@H]1C ZINC001382304201 967190868 /nfs/dbraw/zinc/19/08/68/967190868.db2.gz APTHOTCQPOIOOS-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)[C@H]2C1 ZINC001382327436 967223677 /nfs/dbraw/zinc/22/36/77/967223677.db2.gz GJDBZYWEKNFNPT-MELADBBJSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001382374545 967286709 /nfs/dbraw/zinc/28/67/09/967286709.db2.gz DURFYXSCLCFECZ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@H](CC)C(N)=O)C(C)(C)C1 ZINC001382379141 967292534 /nfs/dbraw/zinc/29/25/34/967292534.db2.gz QYGJTQSVYAUBIY-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382440680 967377076 /nfs/dbraw/zinc/37/70/76/967377076.db2.gz JBJMSSNWLSVYQZ-GJZGRUSLSA-N 1 3 323.412 0.686 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382440680 967377083 /nfs/dbraw/zinc/37/70/83/967377083.db2.gz JBJMSSNWLSVYQZ-GJZGRUSLSA-N 1 3 323.412 0.686 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001371868714 967403492 /nfs/dbraw/zinc/40/34/92/967403492.db2.gz LDGFWUSCYGZBDN-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001372066831 967619569 /nfs/dbraw/zinc/61/95/69/967619569.db2.gz HZBDGTFSMJTPRE-UONOGXRCSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001373579976 969253658 /nfs/dbraw/zinc/25/36/58/969253658.db2.gz SAQGOSUCRSQVCZ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001373579976 969253669 /nfs/dbraw/zinc/25/36/69/969253669.db2.gz SAQGOSUCRSQVCZ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448355695 1013883968 /nfs/dbraw/zinc/88/39/68/1013883968.db2.gz MSQXGBGJQDCDSN-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NC(C)(C)C ZINC001448661798 1013986852 /nfs/dbraw/zinc/98/68/52/1013986852.db2.gz NNAQWBNZIHGMLI-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001448660811 1013987193 /nfs/dbraw/zinc/98/71/93/1013987193.db2.gz UPYFLJATNMVPRM-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001448660811 1013987197 /nfs/dbraw/zinc/98/71/97/1013987197.db2.gz UPYFLJATNMVPRM-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001448731648 1014014882 /nfs/dbraw/zinc/01/48/82/1014014882.db2.gz WVFCVWBYYZALCX-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001448769907 1014031531 /nfs/dbraw/zinc/03/15/31/1014031531.db2.gz CKNTVMGDABHSKJ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001448763920 1014029263 /nfs/dbraw/zinc/02/92/63/1014029263.db2.gz AFZOGBPLUGRLDC-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001448763920 1014029265 /nfs/dbraw/zinc/02/92/65/1014029265.db2.gz AFZOGBPLUGRLDC-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCCCC1 ZINC001448783203 1014037221 /nfs/dbraw/zinc/03/72/21/1014037221.db2.gz KPNBAJJUJVCXGH-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)CC[NH+](C)C)cc1C ZINC001448884804 1014083177 /nfs/dbraw/zinc/08/31/77/1014083177.db2.gz FVPSFRVDZIUCEK-MRXNPFEDSA-N 1 3 307.438 0.822 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001448984968 1014118767 /nfs/dbraw/zinc/11/87/67/1014118767.db2.gz VHXRXBMXYNRLLU-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449149682 1014245030 /nfs/dbraw/zinc/24/50/30/1014245030.db2.gz XAGKVFXXFPVGGM-HNNXBMFYSA-N 1 3 308.426 0.251 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001522698909 1014307969 /nfs/dbraw/zinc/30/79/69/1014307969.db2.gz KXIQSQSQWWMYCN-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001522698909 1014307982 /nfs/dbraw/zinc/30/79/82/1014307982.db2.gz KXIQSQSQWWMYCN-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549663448 1014387461 /nfs/dbraw/zinc/38/74/61/1014387461.db2.gz AGQZBMVERCTYEU-ILXRZTDVSA-N 1 3 320.441 0.466 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549663448 1014387475 /nfs/dbraw/zinc/38/74/75/1014387475.db2.gz AGQZBMVERCTYEU-ILXRZTDVSA-N 1 3 320.441 0.466 20 0 DCADHO N[C@H](C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1)C1CCC1 ZINC001549720781 1014421205 /nfs/dbraw/zinc/42/12/05/1014421205.db2.gz HPBYCVYXLYNRBS-HIFRSBDPSA-N 1 3 304.394 0.566 20 0 DCADHO Cn1cnc([C@H]2CN(C(=O)c3cccc4c3CNC4)C[C@H]2[NH3+])c1 ZINC001549734288 1014432465 /nfs/dbraw/zinc/43/24/65/1014432465.db2.gz INQJHMGZUDKVGP-LSDHHAIUSA-N 1 3 311.389 0.590 20 0 DCADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC001449368484 1014440375 /nfs/dbraw/zinc/44/03/75/1014440375.db2.gz RMDRZRCVBNCGJO-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)N2CCN3C[C@@H](O)C[C@@H]3C2)cc1 ZINC001549799940 1014461616 /nfs/dbraw/zinc/46/16/16/1014461616.db2.gz VKDZCBQCXUXIRR-QKPAOTATSA-N 1 3 316.405 0.784 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)C1CC[NH+](C)CC1 ZINC001522953159 1014487501 /nfs/dbraw/zinc/48/75/01/1014487501.db2.gz WRUUCAWKRXUEKA-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2C)CC1 ZINC001550085317 1014555474 /nfs/dbraw/zinc/55/54/74/1014555474.db2.gz ITHAQVYBSQJYJJ-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](CC(=O)N1CC[C@@H](n2cc(CN)nn2)C1)[C@H]1CCC[NH2+]C1 ZINC001550097206 1014568861 /nfs/dbraw/zinc/56/88/61/1014568861.db2.gz BYFDHDLBRLGGSQ-VNHYZAJKSA-N 1 3 320.441 0.536 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001550118023 1014586958 /nfs/dbraw/zinc/58/69/58/1014586958.db2.gz RVGIHPAHNHUMJG-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC001550201524 1014625318 /nfs/dbraw/zinc/62/53/18/1014625318.db2.gz YMCRETAJKGLYHD-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@@H]2C[NH2+]C[C@H]21 ZINC001550290482 1014654668 /nfs/dbraw/zinc/65/46/68/1014654668.db2.gz LCLXEBXLFWWPRB-OWCLPIDISA-N 1 3 300.406 0.704 20 0 DCADHO C[NH+](C)[C@H]1CN(c2cc(N)ncc2Cl)C[C@H]1n1ccnn1 ZINC001550633581 1014787090 /nfs/dbraw/zinc/78/70/90/1014787090.db2.gz FXOBBQLDUQRXJU-NWDGAFQWSA-N 1 3 307.789 0.900 20 0 DCADHO CN(C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CCN(C)C1 ZINC001550756355 1014844006 /nfs/dbraw/zinc/84/40/06/1014844006.db2.gz PZWRUNHZKBQLGA-UONOGXRCSA-N 1 3 310.442 0.491 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001384427808 985568655 /nfs/dbraw/zinc/56/86/55/985568655.db2.gz XWHSDBKZTMYVAT-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001450480920 1015165620 /nfs/dbraw/zinc/16/56/20/1015165620.db2.gz SKKLEAWJLLADDE-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1)[NH+](C)C ZINC001450496412 1015175388 /nfs/dbraw/zinc/17/53/88/1015175388.db2.gz DLCSOGZEQOEUNE-CZUORRHYSA-N 1 3 324.469 0.241 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001450510292 1015183403 /nfs/dbraw/zinc/18/34/03/1015183403.db2.gz NWPKVYKGFIXDSM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001450510292 1015183407 /nfs/dbraw/zinc/18/34/07/1015183407.db2.gz NWPKVYKGFIXDSM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001385942034 986699870 /nfs/dbraw/zinc/69/98/70/986699870.db2.gz QUHJNQSLMIERDW-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001385942034 986699872 /nfs/dbraw/zinc/69/98/72/986699872.db2.gz QUHJNQSLMIERDW-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC001552011863 1015246650 /nfs/dbraw/zinc/24/66/50/1015246650.db2.gz QWCGRNQBYSEXOE-ARFHVFGLSA-N 1 3 324.469 0.975 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001386413990 987134943 /nfs/dbraw/zinc/13/49/43/987134943.db2.gz OEYMTPZLJRYZEW-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001386905134 987493094 /nfs/dbraw/zinc/49/30/94/987493094.db2.gz VLQLKFCQHFPDCJ-MCIONIFRSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001386905134 987493098 /nfs/dbraw/zinc/49/30/98/987493098.db2.gz VLQLKFCQHFPDCJ-MCIONIFRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)CN1CCCC1)[NH+](C)C ZINC001386951722 987523906 /nfs/dbraw/zinc/52/39/06/987523906.db2.gz JLXKMOJCOIUGDN-HNNXBMFYSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001387238079 987724191 /nfs/dbraw/zinc/72/41/91/987724191.db2.gz AENRLYXGIHMSPX-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001387238079 987724196 /nfs/dbraw/zinc/72/41/96/987724196.db2.gz AENRLYXGIHMSPX-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CN1CCC[C@@H]1C(=O)N(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001388676094 988502987 /nfs/dbraw/zinc/50/29/87/988502987.db2.gz NWPKCOUVMMGMHA-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CCN1 ZINC001552426287 1015427282 /nfs/dbraw/zinc/42/72/82/1015427282.db2.gz RQOILNCMDQZELJ-ZDUSSCGKSA-N 1 3 306.414 0.273 20 0 DCADHO CCO[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@@H]1C[NH3+] ZINC001552430571 1015430222 /nfs/dbraw/zinc/43/02/22/1015430222.db2.gz KCTVJSCHTAVKBS-RYUDHWBXSA-N 1 3 309.435 0.830 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001389395933 989196418 /nfs/dbraw/zinc/19/64/18/989196418.db2.gz PDNFFQBDUFQSBS-AWEZNQCLSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001389453567 989267632 /nfs/dbraw/zinc/26/76/32/989267632.db2.gz HYGUBRXDQSWUEN-DZGCQCFKSA-N 1 3 314.474 0.534 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001389531205 989369754 /nfs/dbraw/zinc/36/97/54/989369754.db2.gz YOEFESBJXQTACP-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCN2C(=O)CCC[NH+](C)C)C1 ZINC001389775619 989563006 /nfs/dbraw/zinc/56/30/06/989563006.db2.gz WYPOYRWQILCBKR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001389818337 989607877 /nfs/dbraw/zinc/60/78/77/989607877.db2.gz NDMXEDPASAIEJF-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001389818337 989607878 /nfs/dbraw/zinc/60/78/78/989607878.db2.gz NDMXEDPASAIEJF-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001390374313 990036970 /nfs/dbraw/zinc/03/69/70/990036970.db2.gz PSTDJHVEINMRLL-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001390374313 990036975 /nfs/dbraw/zinc/03/69/75/990036975.db2.gz PSTDJHVEINMRLL-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC1CCCC1 ZINC001390471065 990130258 /nfs/dbraw/zinc/13/02/58/990130258.db2.gz SJHGASOFQLNNFT-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C(C)C)[NH+](C)C ZINC001390504682 990157037 /nfs/dbraw/zinc/15/70/37/990157037.db2.gz FKCMEAMPBFXFCI-ZFWWWQNUSA-N 1 3 314.474 0.534 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](CNCc2cc3n(n2)CCC3)C1 ZINC001390597749 990232987 /nfs/dbraw/zinc/23/29/87/990232987.db2.gz UVDCETFHPYLIDQ-AWEZNQCLSA-N 1 3 319.453 0.719 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001390649282 990274940 /nfs/dbraw/zinc/27/49/40/990274940.db2.gz UPKLUGRVTGBQNJ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO COc1cncc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001390717000 990323222 /nfs/dbraw/zinc/32/32/22/990323222.db2.gz CQZQTDKIFAYRHT-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001390717000 990323229 /nfs/dbraw/zinc/32/32/29/990323229.db2.gz CQZQTDKIFAYRHT-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001391204638 990665557 /nfs/dbraw/zinc/66/55/57/990665557.db2.gz FFEHTFYTCVPERK-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001391210302 990670056 /nfs/dbraw/zinc/67/00/56/990670056.db2.gz PCQMQSGSUPUDCR-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001391210302 990670058 /nfs/dbraw/zinc/67/00/58/990670058.db2.gz PCQMQSGSUPUDCR-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001391226050 990684709 /nfs/dbraw/zinc/68/47/09/990684709.db2.gz HFEWOOSLWYKYOU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCCN(C)C1=O ZINC001391355864 990777215 /nfs/dbraw/zinc/77/72/15/990777215.db2.gz PIMMFGOPMXTWKK-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@H]21 ZINC001553032468 1015593470 /nfs/dbraw/zinc/59/34/70/1015593470.db2.gz KCTXUONPMNKJNR-FVQBIDKESA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@H]21 ZINC001553032468 1015593476 /nfs/dbraw/zinc/59/34/76/1015593476.db2.gz KCTXUONPMNKJNR-FVQBIDKESA-N 1 3 322.453 0.585 20 0 DCADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001391698558 991109110 /nfs/dbraw/zinc/10/91/10/991109110.db2.gz PZIPEQVNORQHSU-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001391821021 991202288 /nfs/dbraw/zinc/20/22/88/991202288.db2.gz YOGBLERKUKDZDX-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001391898971 991276156 /nfs/dbraw/zinc/27/61/56/991276156.db2.gz JYLDJPFWFCPCAC-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001391953047 991322544 /nfs/dbraw/zinc/32/25/44/991322544.db2.gz WSRZOXWHBIONGQ-DZGCQCFKSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001391953047 991322551 /nfs/dbraw/zinc/32/25/51/991322551.db2.gz WSRZOXWHBIONGQ-DZGCQCFKSA-N 1 3 319.453 0.969 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392077331 991470010 /nfs/dbraw/zinc/47/00/10/991470010.db2.gz MTWNBISIDNSXOY-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001392100145 991490611 /nfs/dbraw/zinc/49/06/11/991490611.db2.gz MMIINWMDDDTXSN-VXGBXAGGSA-N 1 3 300.447 0.275 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001553195559 1015637831 /nfs/dbraw/zinc/63/78/31/1015637831.db2.gz BRAMKKIJGKCTLF-KKUMJFAQSA-N 1 3 310.442 0.585 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC001553195559 1015637835 /nfs/dbraw/zinc/63/78/35/1015637835.db2.gz BRAMKKIJGKCTLF-KKUMJFAQSA-N 1 3 310.442 0.585 20 0 DCADHO CC(C)C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001392151874 991553464 /nfs/dbraw/zinc/55/34/64/991553464.db2.gz LPQNOPUEELUHSJ-STQMWFEESA-N 1 3 312.458 0.465 20 0 DCADHO CN(CC[N@H+](C)Cc1ccn(C)c(=O)c1)C(=O)CN1CCCC1 ZINC001392326416 991759507 /nfs/dbraw/zinc/75/95/07/991759507.db2.gz JOYTYKJXOGTPPS-UHFFFAOYSA-N 1 3 320.437 0.371 20 0 DCADHO CN(CC[N@@H+](C)Cc1ccn(C)c(=O)c1)C(=O)CN1CCCC1 ZINC001392326416 991759514 /nfs/dbraw/zinc/75/95/14/991759514.db2.gz JOYTYKJXOGTPPS-UHFFFAOYSA-N 1 3 320.437 0.371 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001392394140 991865163 /nfs/dbraw/zinc/86/51/63/991865163.db2.gz OQEOXVGTUFIICS-HNNXBMFYSA-N 1 3 320.437 0.299 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cncc(F)c2)C1 ZINC001392403527 991878845 /nfs/dbraw/zinc/87/88/45/991878845.db2.gz VHPPZYQYNGRMKB-WFASDCNBSA-N 1 3 324.400 0.129 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392588230 992130731 /nfs/dbraw/zinc/13/07/31/992130731.db2.gz VPHORSOFXYMHHS-YDHLFZDLSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392588230 992130735 /nfs/dbraw/zinc/13/07/35/992130735.db2.gz VPHORSOFXYMHHS-YDHLFZDLSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001392793065 992402197 /nfs/dbraw/zinc/40/21/97/992402197.db2.gz NCAGROTYBFXFBA-GJZGRUSLSA-N 1 3 307.442 0.745 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC1 ZINC001393080802 992668595 /nfs/dbraw/zinc/66/85/95/992668595.db2.gz MBBPDDVVVMSAPM-CQSZACIVSA-N 1 3 310.442 0.078 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001393163791 992724005 /nfs/dbraw/zinc/72/40/05/992724005.db2.gz JHIULGFATKHEAG-GDBMZVCRSA-N 1 3 315.458 0.162 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@H+](CC2CCC2)C1 ZINC001393291708 992847132 /nfs/dbraw/zinc/84/71/32/992847132.db2.gz NRXHOYVWJAZANR-MRXNPFEDSA-N 1 3 306.410 0.614 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@@H+](CC2CCC2)C1 ZINC001393291708 992847141 /nfs/dbraw/zinc/84/71/41/992847141.db2.gz NRXHOYVWJAZANR-MRXNPFEDSA-N 1 3 306.410 0.614 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001393402374 992948623 /nfs/dbraw/zinc/94/86/23/992948623.db2.gz VHCLTOWQCRLXME-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001393402374 992948635 /nfs/dbraw/zinc/94/86/35/992948635.db2.gz VHCLTOWQCRLXME-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001393413428 992961636 /nfs/dbraw/zinc/96/16/36/992961636.db2.gz GUYHHSIICZEUNA-SOUVJXGZSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001393448539 992999850 /nfs/dbraw/zinc/99/98/50/992999850.db2.gz XBYNAKHNBWSAFH-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC1([NH2+]CC(=O)NC2CC2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001393733866 993210160 /nfs/dbraw/zinc/21/01/60/993210160.db2.gz PPYPMNZSPFLJFE-UHFFFAOYSA-N 1 3 319.409 0.202 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)N1CCCC1 ZINC001393750238 993222723 /nfs/dbraw/zinc/22/27/23/993222723.db2.gz NROCMLUSFRIENT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO COc1cc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)on1 ZINC001393899651 993330326 /nfs/dbraw/zinc/33/03/26/993330326.db2.gz AQZKMMQCQPYNCA-UHFFFAOYSA-N 1 3 310.398 0.619 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001394005967 993406737 /nfs/dbraw/zinc/40/67/37/993406737.db2.gz DCSDNYJZYUQOOD-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001394112936 993487309 /nfs/dbraw/zinc/48/73/09/993487309.db2.gz ODEJHHHSSFFNQQ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001394112936 993487312 /nfs/dbraw/zinc/48/73/12/993487312.db2.gz ODEJHHHSSFFNQQ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001400054023 994111341 /nfs/dbraw/zinc/11/13/41/994111341.db2.gz NGQUTUCSQMOENJ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001400054023 994111348 /nfs/dbraw/zinc/11/13/48/994111348.db2.gz NGQUTUCSQMOENJ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001400053988 994111397 /nfs/dbraw/zinc/11/13/97/994111397.db2.gz NGQUTUCSQMOENJ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001400053988 994111401 /nfs/dbraw/zinc/11/14/01/994111401.db2.gz NGQUTUCSQMOENJ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001394917120 994265668 /nfs/dbraw/zinc/26/56/68/994265668.db2.gz PSYCRGAOAKFQKQ-WLYUNCDWSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001400586777 994679767 /nfs/dbraw/zinc/67/97/67/994679767.db2.gz BSGVAFUOWDSWMD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001400586777 994679768 /nfs/dbraw/zinc/67/97/68/994679768.db2.gz BSGVAFUOWDSWMD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C2CC2)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001507022838 1015897966 /nfs/dbraw/zinc/89/79/66/1015897966.db2.gz NWHVQQVPEAXMEJ-BXUZGUMPSA-N 1 3 322.457 0.952 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(=O)NC ZINC001400826591 994984227 /nfs/dbraw/zinc/98/42/27/994984227.db2.gz NSQUNVMIGVYIFI-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001396940212 995695571 /nfs/dbraw/zinc/69/55/71/995695571.db2.gz WSSBNERYKLZELW-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001507116326 1015997798 /nfs/dbraw/zinc/99/77/98/1015997798.db2.gz FJPGYQADIIBKLU-NWDGAFQWSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCCN1CCCC1=O ZINC001507126418 1016009105 /nfs/dbraw/zinc/00/91/05/1016009105.db2.gz AUZGUFIPLYOGKW-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN([C@H]2CCNC2=O)CC(C)(C)C1 ZINC001397806781 996185972 /nfs/dbraw/zinc/18/59/72/996185972.db2.gz IMMWHWVDLDNULF-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001397946109 996272523 /nfs/dbraw/zinc/27/25/23/996272523.db2.gz YAHPESWQJQCFFN-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001397946109 996272528 /nfs/dbraw/zinc/27/25/28/996272528.db2.gz YAHPESWQJQCFFN-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001398170575 996398117 /nfs/dbraw/zinc/39/81/17/996398117.db2.gz IJUXXIPQAOXPHV-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001398170575 996398123 /nfs/dbraw/zinc/39/81/23/996398123.db2.gz IJUXXIPQAOXPHV-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001398216445 996414479 /nfs/dbraw/zinc/41/44/79/996414479.db2.gz QIQMRHGAXPTEJE-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001507150561 1016035157 /nfs/dbraw/zinc/03/51/57/1016035157.db2.gz ADYHLWSWEGAAGK-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CCCC[NH+](C)C)N[C@@H]1CCCNC1=O ZINC001507152022 1016037050 /nfs/dbraw/zinc/03/70/50/1016037050.db2.gz LEIPMOZJBUIVIC-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)N1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001398356701 996484892 /nfs/dbraw/zinc/48/48/92/996484892.db2.gz BYLBXSCETZTTEN-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)cc1 ZINC001398445650 996519672 /nfs/dbraw/zinc/51/96/72/996519672.db2.gz ZLHWZTXQGOAGNH-OAHLLOKOSA-N 1 3 318.421 0.332 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001398445441 996519881 /nfs/dbraw/zinc/51/98/81/996519881.db2.gz KWENLCLEPSXHKV-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001398445441 996519883 /nfs/dbraw/zinc/51/98/83/996519883.db2.gz KWENLCLEPSXHKV-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001398628847 996612727 /nfs/dbraw/zinc/61/27/27/996612727.db2.gz SLZCWNHXPGFYPK-MJBXVCDLSA-N 1 3 315.458 0.208 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001398674840 996634030 /nfs/dbraw/zinc/63/40/30/996634030.db2.gz CLMHVPPNSQLTKU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001398726508 996658506 /nfs/dbraw/zinc/65/85/06/996658506.db2.gz AFJYKJOVGHYJBD-ZDUSSCGKSA-N 1 3 308.430 0.095 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001398724662 996659048 /nfs/dbraw/zinc/65/90/48/996659048.db2.gz KTIOXRXEFVENLB-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001502750059 1016053965 /nfs/dbraw/zinc/05/39/65/1016053965.db2.gz ABOSQIIDXQWKSL-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001502750059 1016053978 /nfs/dbraw/zinc/05/39/78/1016053978.db2.gz ABOSQIIDXQWKSL-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001398789127 996688384 /nfs/dbraw/zinc/68/83/84/996688384.db2.gz FYLMMYUSTPUEFH-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001398789127 996688385 /nfs/dbraw/zinc/68/83/85/996688385.db2.gz FYLMMYUSTPUEFH-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)CC1CC1 ZINC001399027856 996854393 /nfs/dbraw/zinc/85/43/93/996854393.db2.gz LSVRGUHWAFWZCK-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399030478 996861374 /nfs/dbraw/zinc/86/13/74/996861374.db2.gz LFTZDQKRWBTQIY-CHWSQXEVSA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399030478 996861388 /nfs/dbraw/zinc/86/13/88/996861388.db2.gz LFTZDQKRWBTQIY-CHWSQXEVSA-N 1 3 321.425 0.223 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001399040317 996876500 /nfs/dbraw/zinc/87/65/00/996876500.db2.gz WEQKFIUWKLYTGV-RDBSUJKOSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001399040317 996876512 /nfs/dbraw/zinc/87/65/12/996876512.db2.gz WEQKFIUWKLYTGV-RDBSUJKOSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC001404270112 996886739 /nfs/dbraw/zinc/88/67/39/996886739.db2.gz MEXYHUMPDXNLJF-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC001404270112 996886751 /nfs/dbraw/zinc/88/67/51/996886751.db2.gz MEXYHUMPDXNLJF-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C[C@@H]2CCOC2)C2CC2)C1 ZINC001404270098 996888151 /nfs/dbraw/zinc/88/81/51/996888151.db2.gz MEXYHUMPDXNLJF-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C[C@@H]2CCOC2)C2CC2)C1 ZINC001404270098 996888165 /nfs/dbraw/zinc/88/81/65/996888165.db2.gz MEXYHUMPDXNLJF-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001404327152 996987935 /nfs/dbraw/zinc/98/79/35/996987935.db2.gz ROXQIECGGASSFY-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001399128385 997010760 /nfs/dbraw/zinc/01/07/60/997010760.db2.gz XFCAQNCKXGLTTH-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001399128385 997010769 /nfs/dbraw/zinc/01/07/69/997010769.db2.gz XFCAQNCKXGLTTH-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001404362278 997037526 /nfs/dbraw/zinc/03/75/26/997037526.db2.gz KQVKNYOUKIKILG-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1)N(C)C ZINC001404531403 997212852 /nfs/dbraw/zinc/21/28/52/997212852.db2.gz LPDJDIJDMWGTCT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1)N(C)C ZINC001404531403 997212864 /nfs/dbraw/zinc/21/28/64/997212864.db2.gz LPDJDIJDMWGTCT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001507234534 1016158325 /nfs/dbraw/zinc/15/83/25/1016158325.db2.gz ZOSOJZUDRSMDQY-GOEBONIOSA-N 1 3 323.481 0.975 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H](C)C(=O)NC)CCCC1 ZINC001405419302 998212177 /nfs/dbraw/zinc/21/21/77/998212177.db2.gz KKVNTKQQRKHFIN-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001405538673 998309651 /nfs/dbraw/zinc/30/96/51/998309651.db2.gz XRSLUNGMBPVKGI-WCQYABFASA-N 1 3 307.398 0.010 20 0 DCADHO CCN1CC[C@H](NC[C@H]2CCCN2C(=O)CC[N@H+](C)CC)C1=O ZINC001405594667 998369226 /nfs/dbraw/zinc/36/92/26/998369226.db2.gz HOVIAZHIVOCMDK-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](NC[C@H]2CCCN2C(=O)CC[N@@H+](C)CC)C1=O ZINC001405594667 998369237 /nfs/dbraw/zinc/36/92/37/998369237.db2.gz HOVIAZHIVOCMDK-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001505400531 1016213500 /nfs/dbraw/zinc/21/35/00/1016213500.db2.gz TVSHOBCUDSXKJS-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001505400531 1016213507 /nfs/dbraw/zinc/21/35/07/1016213507.db2.gz TVSHOBCUDSXKJS-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001507428917 1016322948 /nfs/dbraw/zinc/32/29/48/1016322948.db2.gz XBJJCOODVZDEBR-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](O)CCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001507446923 1016333922 /nfs/dbraw/zinc/33/39/22/1016333922.db2.gz FYLSFIBHPXKQTB-OCCSQVGLSA-N 1 3 308.426 0.940 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CCO)C1 ZINC001507456184 1016338671 /nfs/dbraw/zinc/33/86/71/1016338671.db2.gz GYAACGDBOMYOJG-ONGXEEELSA-N 1 3 320.315 0.171 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001401121405 1000207951 /nfs/dbraw/zinc/20/79/51/1000207951.db2.gz MZMJLIFEAFPQRH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)on1 ZINC001401131895 1000215966 /nfs/dbraw/zinc/21/59/66/1000215966.db2.gz ACGBKPVILKKSSO-LBPRGKRZSA-N 1 3 306.410 0.921 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)C1=O ZINC001401222741 1000285927 /nfs/dbraw/zinc/28/59/27/1000285927.db2.gz UPTBZPFDNIVJHO-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401235900 1000296715 /nfs/dbraw/zinc/29/67/15/1000296715.db2.gz DUIORFOTOIHBBT-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](C[NH2+]C[C@H]1CCc2ncnn21)N(C)C(=O)Cc1c[nH]cn1 ZINC001401239851 1000300484 /nfs/dbraw/zinc/30/04/84/1000300484.db2.gz FDRCVUXFPIZSRH-DGCLKSJQSA-N 1 3 317.397 0.168 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401248966 1000308362 /nfs/dbraw/zinc/30/83/62/1000308362.db2.gz XSXITHMUSZKYLH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401248966 1000308366 /nfs/dbraw/zinc/30/83/66/1000308366.db2.gz XSXITHMUSZKYLH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001401258783 1000314614 /nfs/dbraw/zinc/31/46/14/1000314614.db2.gz UOYPDJSDSFKCAZ-TZMCWYRMSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001401267563 1000321473 /nfs/dbraw/zinc/32/14/73/1000321473.db2.gz TWDVICXDVDYQRK-ZIAGYGMSSA-N 1 3 322.457 0.542 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001418633744 1000409570 /nfs/dbraw/zinc/40/95/70/1000409570.db2.gz KXUKHWZJNQCDEQ-HZSPNIEDSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001418633746 1000409846 /nfs/dbraw/zinc/40/98/46/1000409846.db2.gz KXUKHWZJNQCDEQ-MJBXVCDLSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001418637158 1000411876 /nfs/dbraw/zinc/41/18/76/1000411876.db2.gz WTSFXIUJBMKHFJ-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001418738188 1000483860 /nfs/dbraw/zinc/48/38/60/1000483860.db2.gz KZEIUZVFHHHAJO-CYBMUJFWSA-N 1 3 321.425 0.782 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001418738188 1000483866 /nfs/dbraw/zinc/48/38/66/1000483866.db2.gz KZEIUZVFHHHAJO-CYBMUJFWSA-N 1 3 321.425 0.782 20 0 DCADHO Cc1nc(CN[C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001418792586 1000525002 /nfs/dbraw/zinc/52/50/02/1000525002.db2.gz NWJACWDEGFQBSN-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(C(C)C)C1=O)C(=O)[C@H]1CCCN1C ZINC001401600949 1000536937 /nfs/dbraw/zinc/53/69/37/1000536937.db2.gz UBBCSYHFVHPNFQ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001401628405 1000567205 /nfs/dbraw/zinc/56/72/05/1000567205.db2.gz POYMFVCZMCNIRF-UPJWGTAASA-N 1 3 300.447 0.144 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001418892991 1000596389 /nfs/dbraw/zinc/59/63/89/1000596389.db2.gz ROMSUTGVWZWSFW-ZFWWWQNUSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001401704618 1000643869 /nfs/dbraw/zinc/64/38/69/1000643869.db2.gz POYMFVCZMCNIRF-RWMBFGLXSA-N 1 3 300.447 0.144 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401716848 1000654905 /nfs/dbraw/zinc/65/49/05/1000654905.db2.gz KQVFARXIYCTHBT-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401716848 1000654907 /nfs/dbraw/zinc/65/49/07/1000654907.db2.gz KQVFARXIYCTHBT-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+]CC(=O)N1CCC1)C1CC1)C1CCC1 ZINC001401846805 1000783708 /nfs/dbraw/zinc/78/37/08/1000783708.db2.gz VEHVNIRXKKYDSH-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N[C@H]1CC12CC[NH+](CCO)CC2)CC(C)(C)C ZINC001419202712 1000877310 /nfs/dbraw/zinc/87/73/10/1000877310.db2.gz CLDIQGHYDHFIFY-AWEZNQCLSA-N 1 3 311.470 0.927 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+]Cc1cncn1C)C1CC1)C1CCC1 ZINC001419274882 1000940365 /nfs/dbraw/zinc/94/03/65/1000940365.db2.gz ZOUFGLRNOKEOKT-MRXNPFEDSA-N 1 3 319.453 0.889 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001419313961 1000968202 /nfs/dbraw/zinc/96/82/02/1000968202.db2.gz YEVPAEYEZIHROH-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001419313961 1000968206 /nfs/dbraw/zinc/96/82/06/1000968206.db2.gz YEVPAEYEZIHROH-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001402084493 1001003696 /nfs/dbraw/zinc/00/36/96/1001003696.db2.gz VUHHZSRBJYSVDO-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cnn(C)c1 ZINC001402084493 1001003702 /nfs/dbraw/zinc/00/37/02/1001003702.db2.gz VUHHZSRBJYSVDO-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCCC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001402084910 1001004326 /nfs/dbraw/zinc/00/43/26/1001004326.db2.gz YUAJOXHEVVMEHZ-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CN(C(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001419376934 1001008846 /nfs/dbraw/zinc/00/88/46/1001008846.db2.gz SZELWVJAMAUEDZ-AWEZNQCLSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)N2CCC2)C1 ZINC001402167529 1001078423 /nfs/dbraw/zinc/07/84/23/1001078423.db2.gz CKXXMUSRSRUFTA-QGZVFWFLSA-N 1 3 324.469 0.389 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CCC1 ZINC001419474138 1001081087 /nfs/dbraw/zinc/08/10/87/1001081087.db2.gz HZCRBOYUGKGAOE-MJBXVCDLSA-N 1 3 322.453 0.328 20 0 DCADHO Cn1cc(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001402193297 1001101411 /nfs/dbraw/zinc/10/14/11/1001101411.db2.gz ZBLCUJLNBQUPNK-INIZCTEOSA-N 1 3 316.409 0.714 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)[nH]1 ZINC001419515630 1001110750 /nfs/dbraw/zinc/11/07/50/1001110750.db2.gz IVWRKRRMHBVKNK-VXGBXAGGSA-N 1 3 322.457 0.858 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001419530166 1001119009 /nfs/dbraw/zinc/11/90/09/1001119009.db2.gz WXYSNXOUXVKDEX-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001419744208 1001272921 /nfs/dbraw/zinc/27/29/21/1001272921.db2.gz KKHLVOFGECRIRG-IUODEOHRSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001419744208 1001272929 /nfs/dbraw/zinc/27/29/29/1001272929.db2.gz KKHLVOFGECRIRG-IUODEOHRSA-N 1 3 305.426 0.673 20 0 DCADHO C[C@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402407016 1001283195 /nfs/dbraw/zinc/28/31/95/1001283195.db2.gz ZPFFTSQIAHIGEH-QWHCGFSZSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCC[C@@H]1C ZINC001419828086 1001338655 /nfs/dbraw/zinc/33/86/55/1001338655.db2.gz BRRUOQWSGFRBQS-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001402548772 1001399473 /nfs/dbraw/zinc/39/94/73/1001399473.db2.gz JKVFISCOXGLEOA-IHRRRGAJSA-N 1 3 312.458 0.478 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001402602048 1001434275 /nfs/dbraw/zinc/43/42/75/1001434275.db2.gz CHPOAJIRYWDONA-RTXFEEFZSA-N 1 3 308.430 0.753 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001402755392 1001490443 /nfs/dbraw/zinc/49/04/43/1001490443.db2.gz JXBFBONTWRMCNO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001402882380 1001554202 /nfs/dbraw/zinc/55/42/02/1001554202.db2.gz NRUKNENPORMYNM-WFASDCNBSA-N 1 3 305.426 0.356 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC(C)C ZINC001402891268 1001559867 /nfs/dbraw/zinc/55/98/67/1001559867.db2.gz KEWHKWBDGLILAM-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC(C)C ZINC001402891268 1001559869 /nfs/dbraw/zinc/55/98/69/1001559869.db2.gz KEWHKWBDGLILAM-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001402906576 1001569653 /nfs/dbraw/zinc/56/96/53/1001569653.db2.gz NYWFDGBUULLMAV-CYBMUJFWSA-N 1 3 320.437 0.464 20 0 DCADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001403034816 1001643053 /nfs/dbraw/zinc/64/30/53/1001643053.db2.gz WBRKJIPWBWEZIZ-OLZOCXBDSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001403038910 1001643942 /nfs/dbraw/zinc/64/39/42/1001643942.db2.gz GYEJQZDKCXHBFJ-NEPJUHHUSA-N 1 3 300.447 0.336 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001419964421 1001728383 /nfs/dbraw/zinc/72/83/83/1001728383.db2.gz QDXVVJSKCVLAQR-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001419971612 1001735057 /nfs/dbraw/zinc/73/50/57/1001735057.db2.gz HLAWXVYBFRVANB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001403231572 1001751494 /nfs/dbraw/zinc/75/14/94/1001751494.db2.gz NXTKUPVBICGLIY-ZNMIVQPWSA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001403249842 1001762000 /nfs/dbraw/zinc/76/20/00/1001762000.db2.gz NXTKUPVBICGLIY-RRFJBIMHSA-N 1 3 315.458 0.018 20 0 DCADHO Cc1nnc(CN[C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001403287675 1001781824 /nfs/dbraw/zinc/78/18/24/1001781824.db2.gz RCAFKORRQGATNC-STQMWFEESA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nnc(CN[C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001403287668 1001782403 /nfs/dbraw/zinc/78/24/03/1001782403.db2.gz RCAFKORRQGATNC-OLZOCXBDSA-N 1 3 308.430 0.582 20 0 DCADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H](C)[NH2+]CC(N)=O ZINC001505760077 1016532696 /nfs/dbraw/zinc/53/26/96/1016532696.db2.gz GDRJGOZSUYEBOR-VXGBXAGGSA-N 1 3 306.410 0.330 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H]1CCN(C)C1=O ZINC001424676877 1001906984 /nfs/dbraw/zinc/90/69/84/1001906984.db2.gz WQDDLPONVOYFTF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H]1CCN(C)C1=O ZINC001424676877 1001906992 /nfs/dbraw/zinc/90/69/92/1001906992.db2.gz WQDDLPONVOYFTF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001424677860 1001910025 /nfs/dbraw/zinc/91/00/25/1001910025.db2.gz DWBGXDFBZBYUEC-AJNGGQMLSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001424677860 1001910032 /nfs/dbraw/zinc/91/00/32/1001910032.db2.gz DWBGXDFBZBYUEC-AJNGGQMLSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001420127998 1001916870 /nfs/dbraw/zinc/91/68/70/1001916870.db2.gz NVKPNUMEKOMYKR-HZPDHXFCSA-N 1 3 320.437 0.521 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001420127998 1001916877 /nfs/dbraw/zinc/91/68/77/1001916877.db2.gz NVKPNUMEKOMYKR-HZPDHXFCSA-N 1 3 320.437 0.521 20 0 DCADHO C[C@@H]([NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001424728820 1001958126 /nfs/dbraw/zinc/95/81/26/1001958126.db2.gz NOTSVPKUIZXKKW-IYXRBSQSSA-N 1 3 324.469 0.609 20 0 DCADHO COc1ncc(CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)c(C)n1 ZINC001424804257 1002043633 /nfs/dbraw/zinc/04/36/33/1002043633.db2.gz KOKRNPFTJOYMSX-NEPJUHHUSA-N 1 3 323.441 0.728 20 0 DCADHO CCCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403518887 1002066598 /nfs/dbraw/zinc/06/65/98/1002066598.db2.gz WFMCTCVKHQYHPC-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403518887 1002066605 /nfs/dbraw/zinc/06/66/05/1002066605.db2.gz WFMCTCVKHQYHPC-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420233360 1002085930 /nfs/dbraw/zinc/08/59/30/1002085930.db2.gz DDWMIDGYMFYUSM-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420233360 1002085937 /nfs/dbraw/zinc/08/59/37/1002085937.db2.gz DDWMIDGYMFYUSM-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001424850091 1002095270 /nfs/dbraw/zinc/09/52/70/1002095270.db2.gz HGMYMOHVEWLPEJ-OLZOCXBDSA-N 1 3 314.474 0.724 20 0 DCADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001420247520 1002111363 /nfs/dbraw/zinc/11/13/63/1002111363.db2.gz VHIFNAAMONZDNR-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001424872284 1002111876 /nfs/dbraw/zinc/11/18/76/1002111876.db2.gz ANQXEHBFMYVLPM-QWHCGFSZSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCN(C)C1=O ZINC001403581603 1002167514 /nfs/dbraw/zinc/16/75/14/1002167514.db2.gz YEIGVVLTQYFALF-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1cnn(C)c1 ZINC001403589669 1002180002 /nfs/dbraw/zinc/18/00/02/1002180002.db2.gz PCPIOIXXZIHZPY-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420331661 1002234692 /nfs/dbraw/zinc/23/46/92/1002234692.db2.gz ZLSBGWTVWUTYHK-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCc1ccnn1C ZINC001425079693 1002330215 /nfs/dbraw/zinc/33/02/15/1002330215.db2.gz UNEYDBTZHVKDEM-KGLIPLIRSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCc1ccnn1C ZINC001425079693 1002330228 /nfs/dbraw/zinc/33/02/28/1002330228.db2.gz UNEYDBTZHVKDEM-KGLIPLIRSA-N 1 3 307.442 0.351 20 0 DCADHO CCCC[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001425176526 1002417969 /nfs/dbraw/zinc/41/79/69/1002417969.db2.gz FYKMJASRSZHJTO-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)NCC)C1 ZINC001420452988 1002438948 /nfs/dbraw/zinc/43/89/48/1002438948.db2.gz KRFBSTVOXWWOKV-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)NCC)C1 ZINC001420452988 1002438958 /nfs/dbraw/zinc/43/89/58/1002438958.db2.gz KRFBSTVOXWWOKV-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](C)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001420509685 1002527573 /nfs/dbraw/zinc/52/75/73/1002527573.db2.gz WSXPECBLSIERRB-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001425538122 1002783202 /nfs/dbraw/zinc/78/32/02/1002783202.db2.gz BJTUHKFLMJCEDS-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001420684720 1002798909 /nfs/dbraw/zinc/79/89/09/1002798909.db2.gz PAMLMAFNQAPTRN-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001425555708 1002809885 /nfs/dbraw/zinc/80/98/85/1002809885.db2.gz KMNWIRGQIUQMIM-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001425555708 1002809900 /nfs/dbraw/zinc/80/99/00/1002809900.db2.gz KMNWIRGQIUQMIM-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(N)=O ZINC001425587944 1002855399 /nfs/dbraw/zinc/85/53/99/1002855399.db2.gz BGFNJEKKOWPEMG-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)NC)C1 ZINC001420741818 1002903620 /nfs/dbraw/zinc/90/36/20/1002903620.db2.gz RBMWHUXZPCUPSK-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)NC)C1 ZINC001420741818 1002903630 /nfs/dbraw/zinc/90/36/30/1002903630.db2.gz RBMWHUXZPCUPSK-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001425623760 1002904543 /nfs/dbraw/zinc/90/45/43/1002904543.db2.gz FDASDSCOZYCJGL-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@H]1CCN(C)C1=O ZINC001425665324 1002940028 /nfs/dbraw/zinc/94/00/28/1002940028.db2.gz JQFGDKHUETZVOL-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001425672419 1002949146 /nfs/dbraw/zinc/94/91/46/1002949146.db2.gz DLNFEUKHDMXRGK-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001425672419 1002949152 /nfs/dbraw/zinc/94/91/52/1002949152.db2.gz DLNFEUKHDMXRGK-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001420893103 1003100374 /nfs/dbraw/zinc/10/03/74/1003100374.db2.gz IQOMFTNDFUGYRF-KRWDZBQOSA-N 1 3 322.497 0.814 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001405823330 1003113584 /nfs/dbraw/zinc/11/35/84/1003113584.db2.gz GILYAWJSNDACTN-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)CC[NH+](C)C)C1 ZINC001405868766 1003156051 /nfs/dbraw/zinc/15/60/51/1003156051.db2.gz IMOIAOMMMLRINS-UHFFFAOYSA-N 1 3 307.398 0.010 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001405962322 1003226364 /nfs/dbraw/zinc/22/63/64/1003226364.db2.gz GAUQHJAPAMLWAF-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001405973830 1003233567 /nfs/dbraw/zinc/23/35/67/1003233567.db2.gz OOJQZRJFJKXXGR-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001406004460 1003256367 /nfs/dbraw/zinc/25/63/67/1003256367.db2.gz SXICXFYMEXZQKV-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001421169355 1003401476 /nfs/dbraw/zinc/40/14/76/1003401476.db2.gz LXDBBNMHVYMNKZ-GXTWGEPZSA-N 1 3 310.442 0.078 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001406212418 1003483133 /nfs/dbraw/zinc/48/31/33/1003483133.db2.gz KSOBZOBEHMRGEG-UONOGXRCSA-N 1 3 315.458 0.353 20 0 DCADHO CC[C@H](F)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001406258574 1003539143 /nfs/dbraw/zinc/53/91/43/1003539143.db2.gz RHVAUDNLYHAOGF-QWHCGFSZSA-N 1 3 303.422 0.676 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](C)O)CCC1(F)F ZINC001421323234 1003543354 /nfs/dbraw/zinc/54/33/54/1003543354.db2.gz ZLFGFSOGBDEWIV-OLZOCXBDSA-N 1 3 321.412 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](C)O)CCC1(F)F ZINC001421323234 1003543359 /nfs/dbraw/zinc/54/33/59/1003543359.db2.gz ZLFGFSOGBDEWIV-OLZOCXBDSA-N 1 3 321.412 0.782 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001406482780 1003755013 /nfs/dbraw/zinc/75/50/13/1003755013.db2.gz POYMFVCZMCNIRF-XQQFMLRXSA-N 1 3 300.447 0.144 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406483069 1003755506 /nfs/dbraw/zinc/75/55/06/1003755506.db2.gz OPJBBXXRAUZWPY-SWLSCSKDSA-N 1 3 305.426 0.356 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001428222504 1003772156 /nfs/dbraw/zinc/77/21/56/1003772156.db2.gz YDZCEZUKRVXFDH-HDJSIYSDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001406506563 1003772172 /nfs/dbraw/zinc/77/21/72/1003772172.db2.gz ZJFVPJYNMBAWER-MELADBBJSA-N 1 3 314.474 0.676 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001426606135 1003902980 /nfs/dbraw/zinc/90/29/80/1003902980.db2.gz JARNFPPUPAWXNI-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001426606135 1003902984 /nfs/dbraw/zinc/90/29/84/1003902984.db2.gz JARNFPPUPAWXNI-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN(C)C1CCC1 ZINC001428720967 1004131317 /nfs/dbraw/zinc/13/13/17/1004131317.db2.gz GCLHVZUJZYMGCS-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001429339435 1004541050 /nfs/dbraw/zinc/54/10/50/1004541050.db2.gz NBYGHZLGXQDOFR-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CCC1)C2 ZINC001407476900 1004676869 /nfs/dbraw/zinc/67/68/69/1004676869.db2.gz PNVLSBSFDLIVPC-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001407514669 1004702354 /nfs/dbraw/zinc/70/23/54/1004702354.db2.gz BRRCAOMTRJPDEB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001407514669 1004702362 /nfs/dbraw/zinc/70/23/62/1004702362.db2.gz BRRCAOMTRJPDEB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1cnns1 ZINC001407534983 1004716443 /nfs/dbraw/zinc/71/64/43/1004716443.db2.gz IWVNTDCHJKZOQF-NEPJUHHUSA-N 1 3 311.455 0.674 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001407717410 1004819514 /nfs/dbraw/zinc/81/95/14/1004819514.db2.gz NOQHUSAHKNRDDE-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001407717410 1004819518 /nfs/dbraw/zinc/81/95/18/1004819518.db2.gz NOQHUSAHKNRDDE-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001408098183 1005039810 /nfs/dbraw/zinc/03/98/10/1005039810.db2.gz CMSDRIYOEPPKPL-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO COC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001408139507 1005070466 /nfs/dbraw/zinc/07/04/66/1005070466.db2.gz CYHVOEKZYRUMPY-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001414944910 1005428897 /nfs/dbraw/zinc/42/88/97/1005428897.db2.gz MIMDUGKDPAHBNN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001414944910 1005428899 /nfs/dbraw/zinc/42/88/99/1005428899.db2.gz MIMDUGKDPAHBNN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001417037241 1005774160 /nfs/dbraw/zinc/77/41/60/1005774160.db2.gz ACURZBABGGQKGZ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001417037241 1005774162 /nfs/dbraw/zinc/77/41/62/1005774162.db2.gz ACURZBABGGQKGZ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C1(C(=O)NCC2(NC(=O)CCC[NH+](C)C)CC2)CCC1 ZINC001417149867 1005793607 /nfs/dbraw/zinc/79/36/07/1005793607.db2.gz CHXHCXJVBJNDOL-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001418045218 1005974897 /nfs/dbraw/zinc/97/48/97/1005974897.db2.gz BOWLCIVZWYYCPA-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001418045218 1005974905 /nfs/dbraw/zinc/97/49/05/1005974905.db2.gz BOWLCIVZWYYCPA-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001438682219 1006025579 /nfs/dbraw/zinc/02/55/79/1006025579.db2.gz NDIIZKSOXGRKDC-VXGBXAGGSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001438711409 1006055329 /nfs/dbraw/zinc/05/53/29/1006055329.db2.gz HISHRPUFUGHRQK-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438713696 1006060320 /nfs/dbraw/zinc/06/03/20/1006060320.db2.gz XIATWDJIKQGEQH-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438713696 1006060334 /nfs/dbraw/zinc/06/03/34/1006060334.db2.gz XIATWDJIKQGEQH-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438712005 1006061022 /nfs/dbraw/zinc/06/10/22/1006061022.db2.gz VIYZUUDQYYWRKD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438712005 1006061036 /nfs/dbraw/zinc/06/10/36/1006061036.db2.gz VIYZUUDQYYWRKD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)C[C@H](CN[C@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001438745553 1006092603 /nfs/dbraw/zinc/09/26/03/1006092603.db2.gz YBRTVVUGNNQHJD-CHWSQXEVSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001418169504 1006125357 /nfs/dbraw/zinc/12/53/57/1006125357.db2.gz TUQVLQJYCMWTMT-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)CC[N@H+]1C ZINC001418169504 1006125370 /nfs/dbraw/zinc/12/53/70/1006125370.db2.gz TUQVLQJYCMWTMT-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001418278740 1006293304 /nfs/dbraw/zinc/29/33/04/1006293304.db2.gz AGHUOXDCWXRGMT-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC23CC[NH+](CCCO)CC3)CCC1 ZINC001436761575 1006331499 /nfs/dbraw/zinc/33/14/99/1006331499.db2.gz MZRBMEXDYMHCPL-CQSZACIVSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N1CCCCC1 ZINC001418330686 1006387993 /nfs/dbraw/zinc/38/79/93/1006387993.db2.gz TUBKXMUUJWUIEO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439043431 1006400695 /nfs/dbraw/zinc/40/06/95/1006400695.db2.gz CXWFURYCYAADFB-GDBMZVCRSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439043431 1006400700 /nfs/dbraw/zinc/40/07/00/1006400700.db2.gz CXWFURYCYAADFB-GDBMZVCRSA-N 1 3 320.437 0.299 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)N1CCCC1 ZINC001418350054 1006415178 /nfs/dbraw/zinc/41/51/78/1006415178.db2.gz IPKTUFQFCTXLFE-CYBMUJFWSA-N 1 3 319.409 0.013 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC1CC2(CCC2)C1 ZINC001439065123 1006427151 /nfs/dbraw/zinc/42/71/51/1006427151.db2.gz ZBWUASCVXSKLAZ-HNNXBMFYSA-N 1 3 311.470 0.974 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001439086475 1006455186 /nfs/dbraw/zinc/45/51/86/1006455186.db2.gz VPQGKKQTXITBKS-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CN1CCC(C)CC1 ZINC001439086368 1006456488 /nfs/dbraw/zinc/45/64/88/1006456488.db2.gz XJIZBRNIZBSHCB-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cncn1C ZINC001418413531 1006488664 /nfs/dbraw/zinc/48/86/64/1006488664.db2.gz CZYJIIJIIFWIRL-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001439153926 1006518942 /nfs/dbraw/zinc/51/89/42/1006518942.db2.gz MBHAMHDKHDSYIV-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001439165102 1006534842 /nfs/dbraw/zinc/53/48/42/1006534842.db2.gz AYCUXQCSJVJDLI-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439165102 1006534854 /nfs/dbraw/zinc/53/48/54/1006534854.db2.gz AYCUXQCSJVJDLI-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001437052696 1006556095 /nfs/dbraw/zinc/55/60/95/1006556095.db2.gz NEWZARWFHNOULU-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001437133826 1006631765 /nfs/dbraw/zinc/63/17/65/1006631765.db2.gz FZQKLDMCABHGFD-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCc1cn(C)nc1C(F)F ZINC001437198686 1006696839 /nfs/dbraw/zinc/69/68/39/1006696839.db2.gz IQNBLVJUMBOIJP-SNVBAGLBSA-N 1 3 317.384 0.904 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001452268316 1006698182 /nfs/dbraw/zinc/69/81/82/1006698182.db2.gz HBWWSIVVKLXRKC-UHFFFAOYSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001452268316 1006698185 /nfs/dbraw/zinc/69/81/85/1006698185.db2.gz HBWWSIVVKLXRKC-UHFFFAOYSA-N 1 3 321.425 0.400 20 0 DCADHO CCn1cc(CC[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001437215980 1006717041 /nfs/dbraw/zinc/71/70/41/1006717041.db2.gz ZLHNKBVWIGFUCS-LSDHHAIUSA-N 1 3 321.469 0.882 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN[C@H](C)c2nncn2C)C1 ZINC001437312257 1006830335 /nfs/dbraw/zinc/83/03/35/1006830335.db2.gz QWLUEWGPRFGLMG-KGLIPLIRSA-N 1 3 322.457 0.656 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN[C@H](C)c2nncn2C)C1 ZINC001437312257 1006830348 /nfs/dbraw/zinc/83/03/48/1006830348.db2.gz QWLUEWGPRFGLMG-KGLIPLIRSA-N 1 3 322.457 0.656 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2C[C@@H]2CCCOC2)CC1 ZINC001439546942 1006987672 /nfs/dbraw/zinc/98/76/72/1006987672.db2.gz PEXUBIRIGHUNAK-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCc1cnn(C)c1 ZINC001437568562 1007137177 /nfs/dbraw/zinc/13/71/77/1007137177.db2.gz BOGYGQVXQLPSJU-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCc1cnn(C)c1 ZINC001437568562 1007137182 /nfs/dbraw/zinc/13/71/82/1007137182.db2.gz BOGYGQVXQLPSJU-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001439783400 1007193296 /nfs/dbraw/zinc/19/32/96/1007193296.db2.gz OFNJEHKAUAZGJK-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001453400278 1007453837 /nfs/dbraw/zinc/45/38/37/1007453837.db2.gz ITVRPOUFSFIWOT-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001437841225 1007456004 /nfs/dbraw/zinc/45/60/04/1007456004.db2.gz WSULKGJGTYCPKZ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001437841225 1007456012 /nfs/dbraw/zinc/45/60/12/1007456012.db2.gz WSULKGJGTYCPKZ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001437992804 1007569811 /nfs/dbraw/zinc/56/98/11/1007569811.db2.gz IZSNYBLELPGZQQ-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001437992804 1007569803 /nfs/dbraw/zinc/56/98/03/1007569803.db2.gz IZSNYBLELPGZQQ-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001440330694 1007676793 /nfs/dbraw/zinc/67/67/93/1007676793.db2.gz FTBWXRPBTJLJCW-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO Cn1cc(CNC[C@H]2CN(C(=O)CCC[NH+](C)C)CCO2)cn1 ZINC001440370521 1007704610 /nfs/dbraw/zinc/70/46/10/1007704610.db2.gz GGFZBJXBCZRNPZ-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CC[C@@H](C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1)OC ZINC001440396481 1007725519 /nfs/dbraw/zinc/72/55/19/1007725519.db2.gz JPMJBTKAALSSSR-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC ZINC001438374032 1007869839 /nfs/dbraw/zinc/86/98/39/1007869839.db2.gz QYGUQVBSHXSFDU-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC ZINC001438374032 1007869846 /nfs/dbraw/zinc/86/98/46/1007869846.db2.gz QYGUQVBSHXSFDU-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCCC1=O ZINC001440665238 1007947220 /nfs/dbraw/zinc/94/72/20/1007947220.db2.gz UDBOEHMRPDGHTP-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001440843067 1008060714 /nfs/dbraw/zinc/06/07/14/1008060714.db2.gz PSKYKPXERNREAI-VXGBXAGGSA-N 1 3 306.410 0.330 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001440861705 1008077327 /nfs/dbraw/zinc/07/73/27/1008077327.db2.gz PJBHNOFWKROWSH-CHWSQXEVSA-N 1 3 320.437 0.591 20 0 DCADHO C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001441006351 1008170158 /nfs/dbraw/zinc/17/01/58/1008170158.db2.gz XDVGVZJZKXRPNU-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001441347244 1008328843 /nfs/dbraw/zinc/32/88/43/1008328843.db2.gz DTNDBHRSCXAAEB-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001441352714 1008331234 /nfs/dbraw/zinc/33/12/34/1008331234.db2.gz FDSANTMAFGYOAH-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441509523 1008382310 /nfs/dbraw/zinc/38/23/10/1008382310.db2.gz VQDQPDXSAFNCCC-OKILXGFUSA-N 1 3 317.437 0.864 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001441592606 1008416555 /nfs/dbraw/zinc/41/65/55/1008416555.db2.gz QIUJOOGMQDEYFT-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001441598944 1008419675 /nfs/dbraw/zinc/41/96/75/1008419675.db2.gz NOQZAJNYIAUESK-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001441654718 1008442843 /nfs/dbraw/zinc/44/28/43/1008442843.db2.gz KFHJGNQCFAVYKV-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001441847786 1008566223 /nfs/dbraw/zinc/56/62/23/1008566223.db2.gz YPDKUUQOTZCIMS-IUODEOHRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001441847796 1008567253 /nfs/dbraw/zinc/56/72/53/1008567253.db2.gz YPDKUUQOTZCIMS-SWLSCSKDSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001421430954 1008578258 /nfs/dbraw/zinc/57/82/58/1008578258.db2.gz WLMWAZYBLINZOC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@](C)(C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001421583581 1008757969 /nfs/dbraw/zinc/75/79/69/1008757969.db2.gz KEWCYQOYHSAUKX-CZUORRHYSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001442089892 1008956310 /nfs/dbraw/zinc/95/63/10/1008956310.db2.gz ADYQKUJSZXPXKI-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001454182943 1008980720 /nfs/dbraw/zinc/98/07/20/1008980720.db2.gz YWYVNNNMRHKMPP-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001454182943 1008980732 /nfs/dbraw/zinc/98/07/32/1008980732.db2.gz YWYVNNNMRHKMPP-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@H](C)C(N)=O ZINC001422029891 1009414540 /nfs/dbraw/zinc/41/45/40/1009414540.db2.gz NBCFMLQNTCJXHU-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)CC[NH+](C)C)C(C)C)cn1 ZINC001422113977 1009505968 /nfs/dbraw/zinc/50/59/68/1009505968.db2.gz CQCYAZYNMOYJCM-HNNXBMFYSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001422152177 1009562172 /nfs/dbraw/zinc/56/21/72/1009562172.db2.gz SLOAYRGGTRXMFH-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001455294568 1009639934 /nfs/dbraw/zinc/63/99/34/1009639934.db2.gz QFQGFDKJCBPGMM-UHFFFAOYSA-N 1 3 321.425 0.403 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001422208983 1009650363 /nfs/dbraw/zinc/65/03/63/1009650363.db2.gz DVIAWXKFROBZRG-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O)CC(C)(C)C ZINC001422277724 1009759294 /nfs/dbraw/zinc/75/92/94/1009759294.db2.gz OUEJDTCQIBKPJZ-QWHCGFSZSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001442812435 1009768565 /nfs/dbraw/zinc/76/85/65/1009768565.db2.gz FENLANKMQKFZDZ-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001422316977 1009858415 /nfs/dbraw/zinc/85/84/15/1009858415.db2.gz DUVPUDOQNBOQGN-QWHCGFSZSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422324490 1009876984 /nfs/dbraw/zinc/87/69/84/1009876984.db2.gz AZCOTCGPRQNCJO-OLZOCXBDSA-N 1 3 320.441 0.426 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCc1cnn(C)c1 ZINC001422374075 1009970124 /nfs/dbraw/zinc/97/01/24/1009970124.db2.gz FKWFPPLWXYRPQC-QWHCGFSZSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](NCc1cnn(C)c1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001422374067 1009972317 /nfs/dbraw/zinc/97/23/17/1009972317.db2.gz FKWFPPLWXYRPQC-CHWSQXEVSA-N 1 3 307.442 0.745 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001442958542 1009978106 /nfs/dbraw/zinc/97/81/06/1009978106.db2.gz ZYCTXXAYRXFLEM-GFCCVEGCSA-N 1 3 309.414 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001442958542 1009978115 /nfs/dbraw/zinc/97/81/15/1009978115.db2.gz ZYCTXXAYRXFLEM-GFCCVEGCSA-N 1 3 309.414 0.257 20 0 DCADHO CCN(CC)CC(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001455892256 1010024904 /nfs/dbraw/zinc/02/49/04/1010024904.db2.gz RPPQOCXBJJJPEI-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001455892256 1010024922 /nfs/dbraw/zinc/02/49/22/1010024922.db2.gz RPPQOCXBJJJPEI-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001422437384 1010083151 /nfs/dbraw/zinc/08/31/51/1010083151.db2.gz BHHSJMFKZRFGCL-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(C)(C)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH]cn1 ZINC001422467210 1010127461 /nfs/dbraw/zinc/12/74/61/1010127461.db2.gz PIFAIPJHRBSZFI-CYBMUJFWSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001422511923 1010214954 /nfs/dbraw/zinc/21/49/54/1010214954.db2.gz QPLLWJXCXMVDTB-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc(N(C)C)nc2)CC1 ZINC001422538425 1010263723 /nfs/dbraw/zinc/26/37/23/1010263723.db2.gz USSSEGRRZMCJOA-CQSZACIVSA-N 1 3 306.458 0.658 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001443262570 1010274123 /nfs/dbraw/zinc/27/41/23/1010274123.db2.gz CGPXRFIZMRCZLY-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001443262570 1010274130 /nfs/dbraw/zinc/27/41/30/1010274130.db2.gz CGPXRFIZMRCZLY-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001506454989 1017294726 /nfs/dbraw/zinc/29/47/26/1017294726.db2.gz RTLYJTLYPBMRPT-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506454989 1017294731 /nfs/dbraw/zinc/29/47/31/1017294731.db2.gz RTLYJTLYPBMRPT-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001443350242 1010360695 /nfs/dbraw/zinc/36/06/95/1010360695.db2.gz RAXXEABLIFZJPB-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001443350242 1010360709 /nfs/dbraw/zinc/36/07/09/1010360709.db2.gz RAXXEABLIFZJPB-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001443362851 1010367616 /nfs/dbraw/zinc/36/76/16/1010367616.db2.gz MTTVJSWUENBVAE-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001443362851 1010367628 /nfs/dbraw/zinc/36/76/28/1010367628.db2.gz MTTVJSWUENBVAE-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001422762347 1010578962 /nfs/dbraw/zinc/57/89/62/1010578962.db2.gz YKPFFVOIELOHJU-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001422892445 1010708554 /nfs/dbraw/zinc/70/85/54/1010708554.db2.gz FZFKJAGUWNPMOP-JOCQHMNTSA-N 1 3 310.442 0.091 20 0 DCADHO CCCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001443919967 1010749087 /nfs/dbraw/zinc/74/90/87/1010749087.db2.gz SCFJXXDVNAFFSZ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)n[nH]1 ZINC001423034393 1010825055 /nfs/dbraw/zinc/82/50/55/1010825055.db2.gz ZWWBCYDQRUZIRF-AWEZNQCLSA-N 1 3 320.441 0.439 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001423102640 1010889080 /nfs/dbraw/zinc/88/90/80/1010889080.db2.gz IWUOJOGTFDHMHI-OLZOCXBDSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423153057 1010928254 /nfs/dbraw/zinc/92/82/54/1010928254.db2.gz QIJGMVQYPINQSK-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001423156073 1010929923 /nfs/dbraw/zinc/92/99/23/1010929923.db2.gz WCSOOAZGWYNVLX-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001423156073 1010929927 /nfs/dbraw/zinc/92/99/27/1010929927.db2.gz WCSOOAZGWYNVLX-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444308619 1010954587 /nfs/dbraw/zinc/95/45/87/1010954587.db2.gz LGIYLBAWDGHJGG-CZUORRHYSA-N 1 3 319.453 0.604 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCCC(F)(F)F)CC[N@@H+]1C ZINC001423218048 1010988946 /nfs/dbraw/zinc/98/89/46/1010988946.db2.gz UKURWSAVXKILFB-GMTAPVOTSA-N 1 3 311.348 0.346 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](CO)NCCC(F)(F)F)CC[N@H+]1C ZINC001423218048 1010988950 /nfs/dbraw/zinc/98/89/50/1010988950.db2.gz UKURWSAVXKILFB-GMTAPVOTSA-N 1 3 311.348 0.346 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001444404156 1011002444 /nfs/dbraw/zinc/00/24/44/1011002444.db2.gz PRNCGJNMGYIFEJ-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001444592629 1011082233 /nfs/dbraw/zinc/08/22/33/1011082233.db2.gz XICDOEUPTMOEQZ-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001444685793 1011129537 /nfs/dbraw/zinc/12/95/37/1011129537.db2.gz OGMYVFFGWNLPHX-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001444708994 1011141830 /nfs/dbraw/zinc/14/18/30/1011141830.db2.gz MMMLOFWMQKFHLC-RYUDHWBXSA-N 1 3 320.441 0.706 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444780352 1011170836 /nfs/dbraw/zinc/17/08/36/1011170836.db2.gz VQSAERGIWGZFSP-GJZGRUSLSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001444805169 1011176930 /nfs/dbraw/zinc/17/69/30/1011176930.db2.gz BPNVMYXVQSBUMB-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001456380635 1011230470 /nfs/dbraw/zinc/23/04/70/1011230470.db2.gz XJYMEZHRVHCNQT-UHFFFAOYSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001509477558 1017322391 /nfs/dbraw/zinc/32/23/91/1017322391.db2.gz NOCQIEHBNVUVRU-LLVKDONJSA-N 1 3 321.425 0.175 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001534152339 1011549202 /nfs/dbraw/zinc/54/92/02/1011549202.db2.gz AVVWXARRANXTQM-NWANDNLSSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001445260811 1011591407 /nfs/dbraw/zinc/59/14/07/1011591407.db2.gz LZHNURVTPOEWPK-NEPJUHHUSA-N 1 3 307.385 0.439 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001534862617 1011704649 /nfs/dbraw/zinc/70/46/49/1011704649.db2.gz SMTWBQUHIOYVNL-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001534862617 1011704656 /nfs/dbraw/zinc/70/46/56/1011704656.db2.gz SMTWBQUHIOYVNL-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423930693 1011747288 /nfs/dbraw/zinc/74/72/88/1011747288.db2.gz UTJKWABHGZZTLT-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2CCn1cncn1 ZINC001424032183 1011883765 /nfs/dbraw/zinc/88/37/65/1011883765.db2.gz BVHKTXHFZGOTDO-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cnc([C@@H]3CCCN3)nc2)CCO1 ZINC001553359230 1011915697 /nfs/dbraw/zinc/91/56/97/1011915697.db2.gz LGHGWPMVBOSHQM-WCFLWFBJSA-N 1 3 305.382 0.089 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@](C[NH3+])(C3CCOCC3)C2)C1 ZINC001553431824 1011971946 /nfs/dbraw/zinc/97/19/46/1011971946.db2.gz BNKOBQUOJMJDQO-DOTOQJQBSA-N 1 3 324.469 0.868 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)C1 ZINC001553439438 1011974634 /nfs/dbraw/zinc/97/46/34/1011974634.db2.gz SWLHMHBNRVMNJP-KBPBESRZSA-N 1 3 310.442 0.620 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553443173 1011978639 /nfs/dbraw/zinc/97/86/39/1011978639.db2.gz GGCNXNRCUJADSN-KLHDSHLOSA-N 1 3 322.453 0.491 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)CN1C1CC1 ZINC001553462795 1011997765 /nfs/dbraw/zinc/99/77/65/1011997765.db2.gz YOGVQKLDVHKWRK-VNHYZAJKSA-N 1 3 322.453 0.761 20 0 DCADHO CN(CC(=O)NC1(CNC(=O)CC[NH+](C)C)CC1)C1CCC1 ZINC001535900154 1011999512 /nfs/dbraw/zinc/99/95/12/1011999512.db2.gz QULUPXAKXCDHBK-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO [NH3+]C1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001553493963 1012027619 /nfs/dbraw/zinc/02/76/19/1012027619.db2.gz AURNUQTUFHMPDE-NEXFUWMNSA-N 1 3 310.442 0.497 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553495949 1012029352 /nfs/dbraw/zinc/02/93/52/1012029352.db2.gz KFILLIPPFFZLKE-ILXRZTDVSA-N 1 3 310.442 0.227 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553505258 1012045873 /nfs/dbraw/zinc/04/58/73/1012045873.db2.gz SVLPAJDCLJTKEJ-QPSCCSFWSA-N 1 3 310.442 0.354 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553523058 1012072623 /nfs/dbraw/zinc/07/26/23/1012072623.db2.gz ZWDSJZOTZZVLKK-GYMHETDLSA-N 1 3 322.453 0.593 20 0 DCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553548569 1012097441 /nfs/dbraw/zinc/09/74/41/1012097441.db2.gz QOEHQNBWGMGRMM-JYJNAYRXSA-N 1 3 324.469 0.759 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001458768209 1012362387 /nfs/dbraw/zinc/36/23/87/1012362387.db2.gz BXVPGPRKCHOIJU-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001458768209 1012362401 /nfs/dbraw/zinc/36/24/01/1012362401.db2.gz BXVPGPRKCHOIJU-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001445894863 1012403417 /nfs/dbraw/zinc/40/34/17/1012403417.db2.gz FJQVZNHUJBJTTR-KBXIAJHMSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001445894863 1012403423 /nfs/dbraw/zinc/40/34/23/1012403423.db2.gz FJQVZNHUJBJTTR-KBXIAJHMSA-N 1 3 324.469 0.289 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001424481001 1012558237 /nfs/dbraw/zinc/55/82/37/1012558237.db2.gz KPXLYEFVSKGQFC-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424489371 1012571958 /nfs/dbraw/zinc/57/19/58/1012571958.db2.gz VIYOMRXHURUAMZ-SWLSCSKDSA-N 1 3 307.442 0.617 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001429717753 1012698359 /nfs/dbraw/zinc/69/83/59/1012698359.db2.gz FITXEGIFJZMWFG-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CN1C1CC1 ZINC001548554217 1012706254 /nfs/dbraw/zinc/70/62/54/1012706254.db2.gz DILQJBIQDGWEBI-HSMVNMDESA-N 1 3 306.410 0.626 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429744001 1012731023 /nfs/dbraw/zinc/73/10/23/1012731023.db2.gz WGIAKFDHEFRRMA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429744001 1012731037 /nfs/dbraw/zinc/73/10/37/1012731037.db2.gz WGIAKFDHEFRRMA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(N[C@@H]1COC2(CNC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC001548569234 1012732721 /nfs/dbraw/zinc/73/27/21/1012732721.db2.gz OWOTWESASFJQEA-HNNXBMFYSA-N 1 3 301.390 0.236 20 0 DCADHO O=C([C@@H]1CNCc2ccccc21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574522 1012747669 /nfs/dbraw/zinc/74/76/69/1012747669.db2.gz FIHBEVWRTQSQFD-GDBMZVCRSA-N 1 3 303.406 0.446 20 0 DCADHO CC1(C)CN(C(=O)[C@@H](N)Cc2ccccc2)CC2(C[NH2+]C2)O1 ZINC001548575660 1012748573 /nfs/dbraw/zinc/74/85/73/1012748573.db2.gz HKRVDDKPWMMLDQ-AWEZNQCLSA-N 1 3 303.406 0.536 20 0 DCADHO CN1CCC[C@@H](N2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001446565544 1012836702 /nfs/dbraw/zinc/83/67/02/1012836702.db2.gz ROKJIMUXABFCMA-PBHICJAKSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001479371119 1017524939 /nfs/dbraw/zinc/52/49/39/1017524939.db2.gz JNILEHMIUPZAGQ-KKUMJFAQSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001479416404 1017550332 /nfs/dbraw/zinc/55/03/32/1017550332.db2.gz HOBIFVWVZCFNHX-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]([NH2+]CCCO)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001506837195 1017599119 /nfs/dbraw/zinc/59/91/19/1017599119.db2.gz SBDWTFCOGIVKHI-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497050161 1017786026 /nfs/dbraw/zinc/78/60/26/1017786026.db2.gz VRKALHRIPRFWSG-MRXNPFEDSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@H](C)C1 ZINC001497054074 1017791394 /nfs/dbraw/zinc/79/13/94/1017791394.db2.gz NKGJTPIDMCDVED-XJKSGUPXSA-N 1 3 320.437 0.299 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001497096514 1017858858 /nfs/dbraw/zinc/85/88/58/1017858858.db2.gz CMYAUOKRHJEVSB-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCCN(C2CC2)[C@@H]2CCCNC2=O)C1 ZINC001479879788 1017928111 /nfs/dbraw/zinc/92/81/11/1017928111.db2.gz IXBFTVWMNRSCLM-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCCN(C2CC2)[C@@H]2CCCNC2=O)C1 ZINC001479879788 1017928114 /nfs/dbraw/zinc/92/81/14/1017928114.db2.gz IXBFTVWMNRSCLM-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CCn1ccc(CNCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001497308143 1018035598 /nfs/dbraw/zinc/03/55/98/1018035598.db2.gz SFUZNODZSZXHOF-CQSZACIVSA-N 1 3 319.453 0.983 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CC12CCN([C@H]1CCCNC1=O)CC2 ZINC001479985612 1018093188 /nfs/dbraw/zinc/09/31/88/1018093188.db2.gz SAKCPQLZPMKNGX-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497383179 1018100177 /nfs/dbraw/zinc/10/01/77/1018100177.db2.gz GQUFZULAFAKQIQ-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001499882532 1018116269 /nfs/dbraw/zinc/11/62/69/1018116269.db2.gz NPPIGTRVBFAEQV-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)N(C)C ZINC001499940040 1018145296 /nfs/dbraw/zinc/14/52/96/1018145296.db2.gz VYTVCQRRAXKTRZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)N(C)C ZINC001499940040 1018145300 /nfs/dbraw/zinc/14/53/00/1018145300.db2.gz VYTVCQRRAXKTRZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497496048 1018168781 /nfs/dbraw/zinc/16/87/81/1018168781.db2.gz PXDXNBHJZRSXMT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497496048 1018168787 /nfs/dbraw/zinc/16/87/87/1018168787.db2.gz PXDXNBHJZRSXMT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497496049 1018170193 /nfs/dbraw/zinc/17/01/93/1018170193.db2.gz PXDXNBHJZRSXMT-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497496049 1018170197 /nfs/dbraw/zinc/17/01/97/1018170197.db2.gz PXDXNBHJZRSXMT-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H](C)C(N)=O ZINC001494981817 1018202720 /nfs/dbraw/zinc/20/27/20/1018202720.db2.gz UCLKCMJKBLPBJX-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001494980435 1018204398 /nfs/dbraw/zinc/20/43/98/1018204398.db2.gz CYUSRTLFBLBUAU-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001494980435 1018204409 /nfs/dbraw/zinc/20/44/09/1018204409.db2.gz CYUSRTLFBLBUAU-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(C)C ZINC001494995197 1018217591 /nfs/dbraw/zinc/21/75/91/1018217591.db2.gz QHOCKDSWGWOLBT-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001500122443 1018236880 /nfs/dbraw/zinc/23/68/80/1018236880.db2.gz DODCOMQINAUKSG-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001500122443 1018236883 /nfs/dbraw/zinc/23/68/83/1018236883.db2.gz DODCOMQINAUKSG-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001495094606 1018305887 /nfs/dbraw/zinc/30/58/87/1018305887.db2.gz PSMWVKGTNBLGHJ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001495094606 1018305900 /nfs/dbraw/zinc/30/59/00/1018305900.db2.gz PSMWVKGTNBLGHJ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CC[C@@H](NC/C=C\CNC(=O)CC[NH+](C)C)C1=O ZINC001497673043 1018326942 /nfs/dbraw/zinc/32/69/42/1018326942.db2.gz DBYUTPCBRLBJDQ-GEXIGZQTSA-N 1 3 310.442 0.209 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCCCN1CC)[NH2+]CC(=O)NC1CC1 ZINC001495147373 1018349845 /nfs/dbraw/zinc/34/98/45/1018349845.db2.gz YHYDVZHNIQTLSS-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001500404742 1018440953 /nfs/dbraw/zinc/44/09/53/1018440953.db2.gz IRMKHZAJIKGVCI-MRXNPFEDSA-N 1 3 312.458 0.291 20 0 DCADHO CCC(CC)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983310 1018561392 /nfs/dbraw/zinc/56/13/92/1018561392.db2.gz AQRNYUZNHLQQAD-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983310 1018561399 /nfs/dbraw/zinc/56/13/99/1018561399.db2.gz AQRNYUZNHLQQAD-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001480476818 1018573638 /nfs/dbraw/zinc/57/36/38/1018573638.db2.gz KFCCEUFYGJMLPY-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495678970 1018643267 /nfs/dbraw/zinc/64/32/67/1018643267.db2.gz GBZIUWNEKZIIOO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001495681922 1018646216 /nfs/dbraw/zinc/64/62/16/1018646216.db2.gz BZDPTBPYGRVQKG-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)n1 ZINC001498117909 1018667048 /nfs/dbraw/zinc/66/70/48/1018667048.db2.gz KLLNENXNYQLXCG-STQMWFEESA-N 1 3 322.457 0.331 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC(C)(C)C ZINC001480573650 1018674371 /nfs/dbraw/zinc/67/43/71/1018674371.db2.gz IXGAPPVIFVFNMJ-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[C@H](C)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480576125 1018677054 /nfs/dbraw/zinc/67/70/54/1018677054.db2.gz YTWMSJPBEKJAJG-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]([NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001480596224 1018692374 /nfs/dbraw/zinc/69/23/74/1018692374.db2.gz JJQIVXBHINQUBY-IUODEOHRSA-N 1 3 320.437 0.720 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001480677901 1018768613 /nfs/dbraw/zinc/76/86/13/1018768613.db2.gz UIFHKGPWNCTYTK-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1)N(C)C ZINC001498421458 1019103460 /nfs/dbraw/zinc/10/34/60/1019103460.db2.gz GFAOTIKIDPQEAK-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1)N(C)C ZINC001498421458 1019103463 /nfs/dbraw/zinc/10/34/63/1019103463.db2.gz GFAOTIKIDPQEAK-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498424020 1019105256 /nfs/dbraw/zinc/10/52/56/1019105256.db2.gz AFNIVRMXLPGVSI-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001498424020 1019105260 /nfs/dbraw/zinc/10/52/60/1019105260.db2.gz AFNIVRMXLPGVSI-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO CN(C)C1(C(=O)NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001496146797 1019112724 /nfs/dbraw/zinc/11/27/24/1019112724.db2.gz CSUOZGWIEXGUHJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001496146797 1019112736 /nfs/dbraw/zinc/11/27/36/1019112736.db2.gz CSUOZGWIEXGUHJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCCC2)CCC1 ZINC001496313921 1019236267 /nfs/dbraw/zinc/23/62/67/1019236267.db2.gz ZWYNGBJXVMGYRH-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CN(CCC[NH2+]CCn1cc(Cl)cn1)C(=O)Cc1c[nH]cn1 ZINC001498619215 1019272824 /nfs/dbraw/zinc/27/28/24/1019272824.db2.gz POPAVWOQFYHDJM-UHFFFAOYSA-N 1 3 324.816 0.940 20 0 DCADHO C[N@H+](CCCO)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001496509416 1019361298 /nfs/dbraw/zinc/36/12/98/1019361298.db2.gz ROOTULMZWRRAEB-UHFFFAOYSA-N 1 3 308.426 0.895 20 0 DCADHO C[N@@H+](CCCO)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001496509416 1019361310 /nfs/dbraw/zinc/36/13/10/1019361310.db2.gz ROOTULMZWRRAEB-UHFFFAOYSA-N 1 3 308.426 0.895 20 0 DCADHO CC[C@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001498771169 1019415062 /nfs/dbraw/zinc/41/50/62/1019415062.db2.gz UGVRGHMIZFHMPG-STQMWFEESA-N 1 3 310.442 0.219 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001498817895 1019446615 /nfs/dbraw/zinc/44/66/15/1019446615.db2.gz ZISKYDPWEYENTQ-AWEZNQCLSA-N 1 3 320.441 0.141 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cn1 ZINC001496643112 1019478732 /nfs/dbraw/zinc/47/87/32/1019478732.db2.gz NENGNIYLAWOIHB-JKSUJKDBSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)cn1 ZINC001496643112 1019478739 /nfs/dbraw/zinc/47/87/39/1019478739.db2.gz NENGNIYLAWOIHB-JKSUJKDBSA-N 1 3 319.453 0.967 20 0 DCADHO CCn1nncc1CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001496644118 1019480393 /nfs/dbraw/zinc/48/03/93/1019480393.db2.gz QIXYFMKJKOZKOX-HIFRSBDPSA-N 1 3 322.457 0.480 20 0 DCADHO CCn1nncc1CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001496644118 1019480404 /nfs/dbraw/zinc/48/04/04/1019480404.db2.gz QIXYFMKJKOZKOX-HIFRSBDPSA-N 1 3 322.457 0.480 20 0 DCADHO CN(C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1)C1CC1 ZINC001498863630 1019483074 /nfs/dbraw/zinc/48/30/74/1019483074.db2.gz MGGUKNBVZUWPDG-ZFWWWQNUSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1)C1CC1 ZINC001498863630 1019483084 /nfs/dbraw/zinc/48/30/84/1019483084.db2.gz MGGUKNBVZUWPDG-ZFWWWQNUSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001498872257 1019491912 /nfs/dbraw/zinc/49/19/12/1019491912.db2.gz FNROQGXYVDZFQS-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC/C=C/CNC(=O)CN1CCCC1 ZINC001501864872 1019529436 /nfs/dbraw/zinc/52/94/36/1019529436.db2.gz NPAGYJRNJILWAL-XYBNCVKDSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC/C=C/CNC(=O)CN1CCCC1 ZINC001501864872 1019529465 /nfs/dbraw/zinc/52/94/65/1019529465.db2.gz NPAGYJRNJILWAL-XYBNCVKDSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001493681484 1019626932 /nfs/dbraw/zinc/62/69/32/1019626932.db2.gz KMTRFPGCFWWXSQ-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001493681788 1019627128 /nfs/dbraw/zinc/62/71/28/1019627128.db2.gz CRGKKNSTURDFRI-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CNCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001493803810 1019722753 /nfs/dbraw/zinc/72/27/53/1019722753.db2.gz ZFVOMXRXAXVTRD-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO Cn1cnnc1CNC[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001496903301 1019746439 /nfs/dbraw/zinc/74/64/39/1019746439.db2.gz GMEUZTQOXNPNPR-QWHCGFSZSA-N 1 3 308.430 0.141 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000332087115 529404178 /nfs/dbraw/zinc/40/41/78/529404178.db2.gz HULUVOJZSWGZEG-YJNKXOJESA-N 1 3 322.453 0.315 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000331408837 529949605 /nfs/dbraw/zinc/94/96/05/529949605.db2.gz BSJANQRKQAHFKL-ZQDZILKHSA-N 1 3 322.453 0.125 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[NH2+]C1CC1 ZINC000566468834 291305644 /nfs/dbraw/zinc/30/56/44/291305644.db2.gz APJOLNYTZCXDHC-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCN1CC[NH2+]CC1 ZINC000566508853 291310339 /nfs/dbraw/zinc/31/03/39/291310339.db2.gz MLLDYHQFHWGOAQ-HNNXBMFYSA-N 1 3 311.474 0.311 20 0 DCADHO CC[C@H]([NH3+])CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420447354 240031471 /nfs/dbraw/zinc/03/14/71/240031471.db2.gz VFGUMPWUQSSXQN-LBPRGKRZSA-N 1 3 317.459 0.077 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000422103576 240129064 /nfs/dbraw/zinc/12/90/64/240129064.db2.gz HPKVCEFIEZNVFX-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C2CC2)C1 ZINC000567027024 291333734 /nfs/dbraw/zinc/33/37/34/291333734.db2.gz RTMYEBNPKAYDIF-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000423782408 240246600 /nfs/dbraw/zinc/24/66/00/240246600.db2.gz ZJOBNIPLGRPUBY-DOMZBBRYSA-N 1 3 305.426 0.899 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000423131270 240194424 /nfs/dbraw/zinc/19/44/24/240194424.db2.gz HUYKQVLGMAUULO-BMGDILEWSA-N 1 3 303.450 0.993 20 0 DCADHO N[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424081556 240253619 /nfs/dbraw/zinc/25/36/19/240253619.db2.gz VJWKZCIPXDBZEX-KBPBESRZSA-N 1 3 314.393 0.632 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000567096941 291336529 /nfs/dbraw/zinc/33/65/29/291336529.db2.gz DSGUTOFSUVNABO-CQSZACIVSA-N 1 3 300.447 0.521 20 0 DCADHO CN1CCN(CC[NH2+]Cc2ccc(C(N)=O)cc2)CC1(C)C ZINC000441389451 240515775 /nfs/dbraw/zinc/51/57/75/240515775.db2.gz ZMTBJVSOTMSECA-UHFFFAOYSA-N 1 3 304.438 0.901 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000567348773 291350295 /nfs/dbraw/zinc/35/02/95/291350295.db2.gz NHSHJANBPTYHMW-STQMWFEESA-N 1 3 306.414 0.196 20 0 DCADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567816753 291380212 /nfs/dbraw/zinc/38/02/12/291380212.db2.gz IQMJYMQRCIBTEX-MRXNPFEDSA-N 1 3 306.454 0.367 20 0 DCADHO C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000567823823 291381269 /nfs/dbraw/zinc/38/12/69/291381269.db2.gz PXFNRZLBXOIELI-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567990527 291395710 /nfs/dbraw/zinc/39/57/10/291395710.db2.gz FIIHLWNCTYBWLZ-HOTGVXAUSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000568534621 291434258 /nfs/dbraw/zinc/43/42/58/291434258.db2.gz PLUORMDKFJQDMQ-SOUVJXGZSA-N 1 3 324.469 0.480 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635434 284775526 /nfs/dbraw/zinc/77/55/26/284775526.db2.gz XYTFWUYYNLRZIN-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000339633607 253117866 /nfs/dbraw/zinc/11/78/66/253117866.db2.gz SBOKXCXVRPQLDG-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340788655 253304575 /nfs/dbraw/zinc/30/45/75/253304575.db2.gz AUNYWYRDDGOXHG-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340788655 253304578 /nfs/dbraw/zinc/30/45/78/253304578.db2.gz AUNYWYRDDGOXHG-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C[NH+]1CCCC1 ZINC000340804966 253307320 /nfs/dbraw/zinc/30/73/20/253307320.db2.gz VFSKQCHCCALKBG-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000346989580 254119808 /nfs/dbraw/zinc/11/98/08/254119808.db2.gz NZMFQRVKHAYNND-HNNXBMFYSA-N 1 3 312.458 0.879 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000347081622 254127361 /nfs/dbraw/zinc/12/73/61/254127361.db2.gz GOWHKVGLTHWFIH-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1cccc2ncc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)n21 ZINC000347091581 254128439 /nfs/dbraw/zinc/12/84/39/254128439.db2.gz GAJDEBSKHJIIQF-CQSZACIVSA-N 1 3 315.421 0.930 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C1=CCN(C)CC1 ZINC000347970994 254206984 /nfs/dbraw/zinc/20/69/84/254206984.db2.gz QQKGOAKXQKNOII-VNHYZAJKSA-N 1 3 322.453 0.352 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1=CCN(C)CC1 ZINC000347970994 254206985 /nfs/dbraw/zinc/20/69/85/254206985.db2.gz QQKGOAKXQKNOII-VNHYZAJKSA-N 1 3 322.453 0.352 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000350951689 254330858 /nfs/dbraw/zinc/33/08/58/254330858.db2.gz QQHIEOXTYCMVBC-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC000350322110 254315360 /nfs/dbraw/zinc/31/53/60/254315360.db2.gz HDUHXBHXMBOVRN-GFCCVEGCSA-N 1 3 300.403 0.004 20 0 DCADHO COC(=O)CC1(NC[C@H](O)C[N@H+](C)C2CC2)CCOCC1 ZINC000351713775 254361335 /nfs/dbraw/zinc/36/13/35/254361335.db2.gz WMEWOJPCLSYFKR-ZDUSSCGKSA-N 1 3 300.399 0.143 20 0 DCADHO COC(=O)CC1(NC[C@H](O)C[N@@H+](C)C2CC2)CCOCC1 ZINC000351713775 254361336 /nfs/dbraw/zinc/36/13/36/254361336.db2.gz WMEWOJPCLSYFKR-ZDUSSCGKSA-N 1 3 300.399 0.143 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417753123 262260766 /nfs/dbraw/zinc/26/07/66/262260766.db2.gz NZMSODNFYHSZMR-UONOGXRCSA-N 1 3 300.447 0.581 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000236882580 395900129 /nfs/dbraw/zinc/90/01/29/395900129.db2.gz KFGOOFRRILIJRH-RDJZCZTQSA-N 1 3 310.486 0.908 20 0 DCADHO CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000230978363 395883118 /nfs/dbraw/zinc/88/31/18/395883118.db2.gz OFHYNSQLQCYEDK-HZSPNIEDSA-N 1 3 303.472 0.826 20 0 DCADHO CS(=O)(=O)NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000230978363 395883120 /nfs/dbraw/zinc/88/31/20/395883120.db2.gz OFHYNSQLQCYEDK-HZSPNIEDSA-N 1 3 303.472 0.826 20 0 DCADHO CN(C)C/C=C/C(=O)N(C)CCCN(C)C(=O)/C=C/C[NH+](C)C ZINC000272362082 395886002 /nfs/dbraw/zinc/88/60/02/395886002.db2.gz SFKOCIOZPDMDHA-AMMQDNIMSA-N 1 3 324.469 0.529 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCOCC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000261843622 396071913 /nfs/dbraw/zinc/07/19/13/396071913.db2.gz LUHSIMYASWRCQV-JKSUJKDBSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000261795336 396067151 /nfs/dbraw/zinc/06/71/51/396067151.db2.gz KQARKLSSHHOWRM-OAHLLOKOSA-N 1 3 322.453 0.143 20 0 DCADHO CCN(C)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000261981161 396086654 /nfs/dbraw/zinc/08/66/54/396086654.db2.gz RKQGVQRBNZXPHT-OAHLLOKOSA-N 1 3 319.453 0.825 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000262343777 396127700 /nfs/dbraw/zinc/12/77/00/396127700.db2.gz GLKWTLYDOKHHNT-SLBVQIDZSA-N 1 3 303.406 0.488 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000162241420 396079081 /nfs/dbraw/zinc/07/90/81/396079081.db2.gz DBZSYGLEVVKCJU-INIZCTEOSA-N 1 3 308.470 0.711 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261968143 396084952 /nfs/dbraw/zinc/08/49/52/396084952.db2.gz PPUGBDACJIMNDH-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)C3([NH3+])CC3)cc2)CC1 ZINC000262711641 396175083 /nfs/dbraw/zinc/17/50/83/396175083.db2.gz QSGIIOASAAZBEC-UHFFFAOYSA-N 1 3 302.422 0.542 20 0 DCADHO C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000269308612 396406159 /nfs/dbraw/zinc/40/61/59/396406159.db2.gz VCUMIKUWNOVCOZ-WBVHZDCISA-N 1 3 318.465 0.729 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[N@H+](C)CCOC)C1(C)C ZINC000188092115 396379198 /nfs/dbraw/zinc/37/91/98/396379198.db2.gz MZUUFMOQDBOBAF-XJKSGUPXSA-N 1 3 315.458 0.603 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[N@@H+](C)CCOC)C1(C)C ZINC000188092115 396379201 /nfs/dbraw/zinc/37/92/01/396379201.db2.gz MZUUFMOQDBOBAF-XJKSGUPXSA-N 1 3 315.458 0.603 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C1 ZINC000372098145 396487930 /nfs/dbraw/zinc/48/79/30/396487930.db2.gz HBMHQQHLAVSYBR-MRXNPFEDSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)Cc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000580711764 396494221 /nfs/dbraw/zinc/49/42/21/396494221.db2.gz NBPVAFYANZOJOK-UHFFFAOYSA-N 1 3 302.382 0.941 20 0 DCADHO CN(C)CCn1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)n1 ZINC000581378414 396549419 /nfs/dbraw/zinc/54/94/19/396549419.db2.gz JDXLVIXNBVMEQK-UHFFFAOYSA-N 1 3 307.442 0.859 20 0 DCADHO CN1CCC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1cccs1 ZINC000372891300 396551799 /nfs/dbraw/zinc/55/17/99/396551799.db2.gz MPYWOYRDRMYVRI-QVHKTLOISA-N 1 3 323.462 0.970 20 0 DCADHO CSC1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CCN(C)CC1 ZINC000581478525 396557368 /nfs/dbraw/zinc/55/73/68/396557368.db2.gz VLTXMZDWGYDBFT-LBPRGKRZSA-N 1 3 300.472 0.865 20 0 DCADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[C@H](N2CCCC2)C1 ZINC000581664158 396572945 /nfs/dbraw/zinc/57/29/45/396572945.db2.gz AXPCFUSGKJNTAS-KBPBESRZSA-N 1 3 318.425 0.340 20 0 DCADHO CN1CC[C@H](N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000373257731 396579615 /nfs/dbraw/zinc/57/96/15/396579615.db2.gz VVECNXTTWPEYOM-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO C[NH+](C)CCOCCNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000562183285 396652036 /nfs/dbraw/zinc/65/20/36/396652036.db2.gz YJXHIDJNPYAISO-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO CCOC(=O)CC1(NC[C@H](O)C[N@H+](C)C2CC2)CCOCC1 ZINC000595875971 396674060 /nfs/dbraw/zinc/67/40/60/396674060.db2.gz HZOUPGVLXRSNIW-AWEZNQCLSA-N 1 3 314.426 0.534 20 0 DCADHO CCOC(=O)CC1(NC[C@H](O)C[N@@H+](C)C2CC2)CCOCC1 ZINC000595875971 396674063 /nfs/dbraw/zinc/67/40/63/396674063.db2.gz HZOUPGVLXRSNIW-AWEZNQCLSA-N 1 3 314.426 0.534 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000562822903 396682415 /nfs/dbraw/zinc/68/24/15/396682415.db2.gz TVMSDKMFVGIRKG-SLBVQIDZSA-N 1 3 324.469 0.471 20 0 DCADHO CC(C)N1CCC([NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562987288 396689899 /nfs/dbraw/zinc/68/98/99/396689899.db2.gz XFKKLAOHSADCCL-HLLBOEOZSA-N 1 3 313.486 0.919 20 0 DCADHO CC(C)[NH+]1CCC(NC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562987288 396689902 /nfs/dbraw/zinc/68/99/02/396689902.db2.gz XFKKLAOHSADCCL-HLLBOEOZSA-N 1 3 313.486 0.919 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000588975329 396702092 /nfs/dbraw/zinc/70/20/92/396702092.db2.gz UGIQBZWZGQENHG-AWEZNQCLSA-N 1 3 300.447 0.594 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000588975329 396702095 /nfs/dbraw/zinc/70/20/95/396702095.db2.gz UGIQBZWZGQENHG-AWEZNQCLSA-N 1 3 300.447 0.594 20 0 DCADHO C[N@H+]1CC=C(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000375064323 396708620 /nfs/dbraw/zinc/70/86/20/396708620.db2.gz YIOFIAKPIZQGDA-HUUCEWRRSA-N 1 3 308.426 0.411 20 0 DCADHO C[N@@H+]1CC=C(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000375064323 396708624 /nfs/dbraw/zinc/70/86/24/396708624.db2.gz YIOFIAKPIZQGDA-HUUCEWRRSA-N 1 3 308.426 0.411 20 0 DCADHO C[N@H+]1CC=C(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000375064321 396709033 /nfs/dbraw/zinc/70/90/33/396709033.db2.gz YIOFIAKPIZQGDA-GJZGRUSLSA-N 1 3 308.426 0.411 20 0 DCADHO C[N@@H+]1CC=C(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000375064321 396709037 /nfs/dbraw/zinc/70/90/37/396709037.db2.gz YIOFIAKPIZQGDA-GJZGRUSLSA-N 1 3 308.426 0.411 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000563158409 396710566 /nfs/dbraw/zinc/71/05/66/396710566.db2.gz NVICWTPCWGNZOD-ZFWWWQNUSA-N 1 3 310.442 0.077 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563209221 396714415 /nfs/dbraw/zinc/71/44/15/396714415.db2.gz RFDOWUNWCIGEET-LSDHHAIUSA-N 1 3 320.441 0.775 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563209221 396714417 /nfs/dbraw/zinc/71/44/17/396714417.db2.gz RFDOWUNWCIGEET-LSDHHAIUSA-N 1 3 320.441 0.775 20 0 DCADHO O[C@@H]1CCN(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000629546938 396782988 /nfs/dbraw/zinc/78/29/88/396782988.db2.gz RETMQVMDRCWVOF-HFTRVMKXSA-N 1 3 317.433 0.899 20 0 DCADHO CC[NH2+]CCCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000634076385 396785633 /nfs/dbraw/zinc/78/56/33/396785633.db2.gz PBLRIHIMTZHKLO-OAHLLOKOSA-N 1 3 311.474 0.407 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NCCN(C)CCOC)CC1 ZINC000563863285 396787239 /nfs/dbraw/zinc/78/72/39/396787239.db2.gz SJZSDLSUNNCXBW-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000634260758 396823563 /nfs/dbraw/zinc/82/35/63/396823563.db2.gz VONAKCYXOWVRNP-INIZCTEOSA-N 1 3 324.469 0.882 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC[N@@H+]1C ZINC000332571191 396888559 /nfs/dbraw/zinc/88/85/59/396888559.db2.gz CSZISPHCNXMYOV-BARDWOONSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC[N@H+]1C ZINC000332571191 396888563 /nfs/dbraw/zinc/88/85/63/396888563.db2.gz CSZISPHCNXMYOV-BARDWOONSA-N 1 3 322.453 0.280 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000611636702 396899249 /nfs/dbraw/zinc/89/92/49/396899249.db2.gz DTBIJADQCDSJSZ-RDBSUJKOSA-N 1 3 322.453 0.328 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000611636702 396899250 /nfs/dbraw/zinc/89/92/50/396899250.db2.gz DTBIJADQCDSJSZ-RDBSUJKOSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CN1C1CC1 ZINC000564942968 396905939 /nfs/dbraw/zinc/90/59/39/396905939.db2.gz UMJYWZXCGSVQHD-JHJVBQTASA-N 1 3 318.425 0.385 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)NCCCCN1CCN(C)CC1 ZINC000591405666 396916535 /nfs/dbraw/zinc/91/65/35/396916535.db2.gz HFOVZBAJFKAJNZ-UHFFFAOYSA-N 1 3 313.490 0.653 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)NCCCCN1CCN(C)CC1 ZINC000591405666 396916539 /nfs/dbraw/zinc/91/65/39/396916539.db2.gz HFOVZBAJFKAJNZ-UHFFFAOYSA-N 1 3 313.490 0.653 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000600981090 396980240 /nfs/dbraw/zinc/98/02/40/396980240.db2.gz SFIRSQIZCBUHAG-HUUCEWRRSA-N 1 3 322.453 0.411 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000600981090 396980246 /nfs/dbraw/zinc/98/02/46/396980246.db2.gz SFIRSQIZCBUHAG-HUUCEWRRSA-N 1 3 322.453 0.411 20 0 DCADHO CN1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)[C@H](C[NH3+])C1 ZINC000571745726 396982368 /nfs/dbraw/zinc/98/23/68/396982368.db2.gz ADTXPIXJRRMCJE-HUUCEWRRSA-N 1 3 309.458 0.288 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340479568 396970330 /nfs/dbraw/zinc/97/03/30/396970330.db2.gz RSWNSFWLCBNZDO-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340479568 396970334 /nfs/dbraw/zinc/97/03/34/396970334.db2.gz RSWNSFWLCBNZDO-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C[NH+]1CCCC1 ZINC000340775887 396972712 /nfs/dbraw/zinc/97/27/12/396972712.db2.gz NWCOZMUWBUHLQW-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000611990590 396974733 /nfs/dbraw/zinc/97/47/33/396974733.db2.gz OARYDLQYWNGLGC-SHARSMKWSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000612543573 397087062 /nfs/dbraw/zinc/08/70/62/397087062.db2.gz QWAATBGLGFIOAF-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000612543573 397087065 /nfs/dbraw/zinc/08/70/65/397087065.db2.gz QWAATBGLGFIOAF-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000618987033 397052171 /nfs/dbraw/zinc/05/21/71/397052171.db2.gz LZIAHNFKYYIIHV-HOTGVXAUSA-N 1 3 308.470 0.613 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612878728 397154712 /nfs/dbraw/zinc/15/47/12/397154712.db2.gz MESOGNYATAFUQH-INIZCTEOSA-N 1 3 312.458 0.927 20 0 DCADHO COC(=O)[C@@H]1CNCCCN1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000592487627 397190440 /nfs/dbraw/zinc/19/04/40/397190440.db2.gz WGPQAQDNVWUSHV-HOCLYGCPSA-N 1 3 321.421 0.574 20 0 DCADHO CC[C@@H](CNS(C)(=O)=O)[NH2+]C1CCN(CC2CC2)CC1 ZINC000573672000 397193125 /nfs/dbraw/zinc/19/31/25/397193125.db2.gz FXAFXLMYDMTOKR-ZDUSSCGKSA-N 1 3 303.472 0.778 20 0 DCADHO CN(C)CCOCCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592564354 397216958 /nfs/dbraw/zinc/21/69/58/397216958.db2.gz SCVKJWWVPXSKAG-GFCCVEGCSA-N 1 3 309.414 0.027 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CCOCC[NH3+])c1 ZINC000626895486 397279498 /nfs/dbraw/zinc/27/94/98/397279498.db2.gz YTDPMTDXBKUMOG-UHFFFAOYSA-N 1 3 322.409 0.120 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620483985 397279937 /nfs/dbraw/zinc/27/99/37/397279937.db2.gz HBBYHLKIOOLBRU-HOTGVXAUSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620483985 397279938 /nfs/dbraw/zinc/27/99/38/397279938.db2.gz HBBYHLKIOOLBRU-HOTGVXAUSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592959835 397304079 /nfs/dbraw/zinc/30/40/79/397304079.db2.gz WXQYMXKUMMAGFK-OLZOCXBDSA-N 1 3 305.426 0.885 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000420330898 397386274 /nfs/dbraw/zinc/38/62/74/397386274.db2.gz IJZWDMFVNDFSTP-XJKSGUPXSA-N 1 3 308.470 0.789 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419773049 397382122 /nfs/dbraw/zinc/38/21/22/397382122.db2.gz ILZNKUBFFMIWPY-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419781523 397383256 /nfs/dbraw/zinc/38/32/56/397383256.db2.gz SGXOUVQAOZDMRY-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000577281214 397319619 /nfs/dbraw/zinc/31/96/19/397319619.db2.gz ULTRHJMYTOTONK-IPYPFGDCSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000577281214 397319624 /nfs/dbraw/zinc/31/96/24/397319624.db2.gz ULTRHJMYTOTONK-IPYPFGDCSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000578531454 397450134 /nfs/dbraw/zinc/45/01/34/397450134.db2.gz GRQKFHMYISGSBC-ILXRZTDVSA-N 1 3 320.441 0.534 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCOCC[NH+](C)C ZINC000471643390 397450514 /nfs/dbraw/zinc/45/05/14/397450514.db2.gz HVHIWXUKJXBOMS-KGLIPLIRSA-N 1 3 300.447 0.546 20 0 DCADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000430950577 397410545 /nfs/dbraw/zinc/41/05/45/397410545.db2.gz RTKOZXIPBAOPIQ-JSGCOSHPSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)C2)CC1 ZINC000602479970 397416194 /nfs/dbraw/zinc/41/61/94/397416194.db2.gz CRYOFWATACJQBJ-HZPDHXFCSA-N 1 3 306.454 0.661 20 0 DCADHO N[C@@H](C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)C1CCOCC1 ZINC000370294658 397465875 /nfs/dbraw/zinc/46/58/75/397465875.db2.gz RBYKRWKWOKKFHV-ARFHVFGLSA-N 1 3 321.396 0.833 20 0 DCADHO CN1CCC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H]1c1cccs1 ZINC000479281322 397458668 /nfs/dbraw/zinc/45/86/68/397458668.db2.gz MPYWOYRDRMYVRI-JLNYLFASSA-N 1 3 323.462 0.970 20 0 DCADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000479271088 397459540 /nfs/dbraw/zinc/45/95/40/397459540.db2.gz OQGAGVOVHBZBPQ-ARLBYUKCSA-N 1 3 303.406 0.661 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000578998582 397511661 /nfs/dbraw/zinc/51/16/61/397511661.db2.gz UNIBPDBJFGZWEG-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000371249604 397563819 /nfs/dbraw/zinc/56/38/19/397563819.db2.gz LTQAIBJGEWXGFE-HZPDHXFCSA-N 1 3 320.481 0.615 20 0 DCADHO CC[NH+]1CCC(CNC(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000579247431 397542348 /nfs/dbraw/zinc/54/23/48/397542348.db2.gz UDJFRTDVAJWOIU-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000605413667 397664437 /nfs/dbraw/zinc/66/44/37/397664437.db2.gz SSBRLPKHODCENT-GJZGRUSLSA-N 1 3 312.458 0.737 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000605413667 397664440 /nfs/dbraw/zinc/66/44/40/397664440.db2.gz SSBRLPKHODCENT-GJZGRUSLSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)C1CC[NH+](C)CC1 ZINC000606699088 397687151 /nfs/dbraw/zinc/68/71/51/397687151.db2.gz DMIAWWRTGXKTEE-HIFRSBDPSA-N 1 3 312.458 0.689 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N(C)CCN1CCCC1)C1CC1 ZINC000359286804 159262165 /nfs/dbraw/zinc/26/21/65/159262165.db2.gz KAYLKZZMKWWMJO-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N(C)CCN1CCCC1)C1CC1 ZINC000359286804 159262168 /nfs/dbraw/zinc/26/21/68/159262168.db2.gz KAYLKZZMKWWMJO-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CCN1CCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000367643610 159348489 /nfs/dbraw/zinc/34/84/89/159348489.db2.gz OVJIZWJSSFTRLJ-DOTOQJQBSA-N 1 3 308.470 0.520 20 0 DCADHO CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000334056043 287147823 /nfs/dbraw/zinc/14/78/23/287147823.db2.gz VIBGJWCUQVPDSB-HRCADAONSA-N 1 3 324.469 0.758 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000342112455 287153358 /nfs/dbraw/zinc/15/33/58/287153358.db2.gz WAOLJVLKCCJFCB-IMJJTQAJSA-N 1 3 308.470 0.646 20 0 DCADHO O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CC[NH2+]C1 ZINC000418394659 287247629 /nfs/dbraw/zinc/24/76/29/287247629.db2.gz YCNBEGIRLZWDSS-NVXWUHKLSA-N 1 3 318.421 0.285 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418535642 287250017 /nfs/dbraw/zinc/25/00/17/287250017.db2.gz DVPFASXVQCCLGG-HNNXBMFYSA-N 1 3 310.442 0.658 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418635686 287251824 /nfs/dbraw/zinc/25/18/24/287251824.db2.gz HESVSMFNIKFZLK-CQSZACIVSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H](CN)C2CC2)([NH+](C)C)C1 ZINC000418912328 287252521 /nfs/dbraw/zinc/25/25/21/287252521.db2.gz DVGWGEARVADZDL-IFIJOSMWSA-N 1 3 324.469 0.467 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418953527 287257096 /nfs/dbraw/zinc/25/70/96/287257096.db2.gz WKQPMBBWROUHND-CJNGLKHVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@H]1CN ZINC000418992561 287259199 /nfs/dbraw/zinc/25/91/99/287259199.db2.gz GHBHPAUTAMULFY-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO COC(=O)c1c(NCCN(C)C)ncnc1NCC[NH+](C)C ZINC000611337785 412377016 /nfs/dbraw/zinc/37/70/16/412377016.db2.gz DLHHONREWBJHCL-UHFFFAOYSA-N 1 3 310.402 0.210 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419020389 287261292 /nfs/dbraw/zinc/26/12/92/287261292.db2.gz FPWANBXYJSYCDR-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419023075 287262448 /nfs/dbraw/zinc/26/24/48/287262448.db2.gz IZQUPHPFCQJGIS-LJISPDSOSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000419145323 287266817 /nfs/dbraw/zinc/26/68/17/287266817.db2.gz ACUHHGJOSMIJQN-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331624674 415156147 /nfs/dbraw/zinc/15/61/47/415156147.db2.gz YHFGXARXTUTPPI-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000342408994 415163453 /nfs/dbraw/zinc/16/34/53/415163453.db2.gz OAVVNUCIYQLDRK-OAGGEKHMSA-N 1 3 306.454 0.462 20 0 DCADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000331565225 415132370 /nfs/dbraw/zinc/13/23/70/415132370.db2.gz UOJOTJMOIQONHD-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000331565225 415132377 /nfs/dbraw/zinc/13/23/77/415132377.db2.gz UOJOTJMOIQONHD-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352351122 415143971 /nfs/dbraw/zinc/14/39/71/415143971.db2.gz WFFSNNBWAHAJIM-RHSMWYFYSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352351122 415143977 /nfs/dbraw/zinc/14/39/77/415143977.db2.gz WFFSNNBWAHAJIM-RHSMWYFYSA-N 1 3 311.470 0.627 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000342712903 415264009 /nfs/dbraw/zinc/26/40/09/415264009.db2.gz AZPQLEBTOUGNPY-KBPBESRZSA-N 1 3 313.442 0.894 20 0 DCADHO NC[C@@H]1CCCN1C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000332139056 415265423 /nfs/dbraw/zinc/26/54/23/415265423.db2.gz MWVGFWUOTBKYKZ-HNNXBMFYSA-N 1 3 322.453 0.413 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000332158231 415272368 /nfs/dbraw/zinc/27/23/68/415272368.db2.gz POKFQYFSTHRAAJ-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332158231 415272375 /nfs/dbraw/zinc/27/23/75/415272375.db2.gz POKFQYFSTHRAAJ-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000342734560 415274125 /nfs/dbraw/zinc/27/41/25/415274125.db2.gz LUWNAFIGMOUGTO-AWEZNQCLSA-N 1 3 323.393 0.846 20 0 DCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[C@H]3CN)C2)CC1 ZINC000332219547 415300835 /nfs/dbraw/zinc/30/08/35/415300835.db2.gz XTXHMVFJACFJKA-GJZGRUSLSA-N 1 3 322.453 0.126 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000332269038 415321568 /nfs/dbraw/zinc/32/15/68/415321568.db2.gz BYKOIEGEBKEICJ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000332269038 415321576 /nfs/dbraw/zinc/32/15/76/415321576.db2.gz BYKOIEGEBKEICJ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000332351998 415357744 /nfs/dbraw/zinc/35/77/44/415357744.db2.gz VLMDARGMXWIWHE-CABCVRRESA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000332567842 415416721 /nfs/dbraw/zinc/41/67/21/415416721.db2.gz BTSPBCGWAPEFDU-GBJTYRQASA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343103650 415453192 /nfs/dbraw/zinc/45/31/92/415453192.db2.gz DIBHRDTYZJHEOG-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343103650 415453199 /nfs/dbraw/zinc/45/31/99/415453199.db2.gz DIBHRDTYZJHEOG-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000343134537 415468341 /nfs/dbraw/zinc/46/83/41/415468341.db2.gz CZQWRSCTUOVVHK-OWCLPIDISA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000343134537 415468343 /nfs/dbraw/zinc/46/83/43/415468343.db2.gz CZQWRSCTUOVVHK-OWCLPIDISA-N 1 3 308.470 0.613 20 0 DCADHO CN(CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C1CC1 ZINC000343298534 415540562 /nfs/dbraw/zinc/54/05/62/415540562.db2.gz NYHIIAYFJGBOSU-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CO[C@H](CN)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000353458261 415550881 /nfs/dbraw/zinc/55/08/81/415550881.db2.gz IXQVXGQBGHHAGQ-CYBMUJFWSA-N 1 3 308.382 0.489 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCN(c3cncc4ncnn43)CC2)CC[NH2+]1 ZINC000333124814 415564147 /nfs/dbraw/zinc/56/41/47/415564147.db2.gz HAPNTCJIHUNYAG-KGLIPLIRSA-N 1 3 315.425 0.634 20 0 DCADHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H]3CNCCO3)C2)CC1 ZINC000333471384 415661944 /nfs/dbraw/zinc/66/19/44/415661944.db2.gz DIEVHAQZGUKMOJ-LSDHHAIUSA-N 1 3 310.442 0.348 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CNCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333483640 415664976 /nfs/dbraw/zinc/66/49/76/415664976.db2.gz BRQROLKSJDCBSS-OFQRWUPVSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CNCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333483640 415664980 /nfs/dbraw/zinc/66/49/80/415664980.db2.gz BRQROLKSJDCBSS-OFQRWUPVSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000353954149 415701552 /nfs/dbraw/zinc/70/15/52/415701552.db2.gz IXMSJDOCNIJFEW-HZSPNIEDSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000353954149 415701558 /nfs/dbraw/zinc/70/15/58/415701558.db2.gz IXMSJDOCNIJFEW-HZSPNIEDSA-N 1 3 303.472 0.730 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000343821361 415743577 /nfs/dbraw/zinc/74/35/77/415743577.db2.gz FTCLCVKHLAGJOR-ZBFHGGJFSA-N 1 3 308.470 0.613 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000343821361 415743583 /nfs/dbraw/zinc/74/35/83/415743583.db2.gz FTCLCVKHLAGJOR-ZBFHGGJFSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccccn1 ZINC000118894673 415736891 /nfs/dbraw/zinc/73/68/91/415736891.db2.gz HXQWLUSNAXSFFH-UHFFFAOYSA-N 1 3 307.442 0.759 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343977647 415806119 /nfs/dbraw/zinc/80/61/19/415806119.db2.gz JWXGPPJQVNMGKS-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343977647 415806126 /nfs/dbraw/zinc/80/61/26/415806126.db2.gz JWXGPPJQVNMGKS-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CN(C)Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000354708759 415812159 /nfs/dbraw/zinc/81/21/59/415812159.db2.gz MEQYKOFUEVYLDO-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)CN1CCN(C)CC1 ZINC000357250329 416053266 /nfs/dbraw/zinc/05/32/66/416053266.db2.gz UCKZZWKIELKRGG-SOLBZPMBSA-N 1 3 322.497 0.766 20 0 DCADHO C[C@H]1[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCN1C ZINC000345239183 416065770 /nfs/dbraw/zinc/06/57/70/416065770.db2.gz NFMCNLSJWUIOJX-QWHCGFSZSA-N 1 3 308.430 1.049 20 0 DCADHO COCCN1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000338261494 416067237 /nfs/dbraw/zinc/06/72/37/416067237.db2.gz BWAJCXLDCCMCKW-UHFFFAOYSA-N 1 3 312.458 0.882 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000357073663 416029941 /nfs/dbraw/zinc/02/99/41/416029941.db2.gz IBQYZUUTAIVYJW-DOTOQJQBSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H](CNC(=O)CCCC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000357165366 416039941 /nfs/dbraw/zinc/03/99/41/416039941.db2.gz OHVBYVOJOVGUMU-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO C[C@H](CNC(=O)CCCC(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000357165364 416040365 /nfs/dbraw/zinc/04/03/65/416040365.db2.gz OHVBYVOJOVGUMU-CHWSQXEVSA-N 1 3 300.447 0.289 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000338061581 416040597 /nfs/dbraw/zinc/04/05/97/416040597.db2.gz YKCAXHLDEVRFBY-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340479892 416188941 /nfs/dbraw/zinc/18/89/41/416188941.db2.gz VEYFVNHUVAXKHG-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340479892 416188945 /nfs/dbraw/zinc/18/89/45/416188945.db2.gz VEYFVNHUVAXKHG-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCC2CCN(CCO)CC2)CC1 ZINC000330491786 416210792 /nfs/dbraw/zinc/21/07/92/416210792.db2.gz OLOVHBDVUNFFQM-UHFFFAOYSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358257146 416219020 /nfs/dbraw/zinc/21/90/20/416219020.db2.gz UPKJDXMGNRDYQA-CRAIPNDOSA-N 1 3 319.449 0.780 20 0 DCADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358257146 416219023 /nfs/dbraw/zinc/21/90/23/416219023.db2.gz UPKJDXMGNRDYQA-CRAIPNDOSA-N 1 3 319.449 0.780 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000341655747 416219901 /nfs/dbraw/zinc/21/99/01/416219901.db2.gz VFIBACGKSDXLOX-UKRRQHHQSA-N 1 3 312.458 0.737 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000341655747 416219905 /nfs/dbraw/zinc/21/99/05/416219905.db2.gz VFIBACGKSDXLOX-UKRRQHHQSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000358504049 416245131 /nfs/dbraw/zinc/24/51/31/416245131.db2.gz QTDXZMHJDARTDJ-ZIAGYGMSSA-N 1 3 312.458 0.831 20 0 DCADHO CC(C)[NH+](CCCNC(=O)NC[C@]1(O)CCN(C)C1)C(C)C ZINC000358728694 416275419 /nfs/dbraw/zinc/27/54/19/416275419.db2.gz YULKJPJLKNUHKN-MRXNPFEDSA-N 1 3 314.474 0.861 20 0 DCADHO C[C@@H](CNC(=O)[C@@](C)(N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000262762859 416337152 /nfs/dbraw/zinc/33/71/52/416337152.db2.gz AMGYIBSZSXRJOT-YJBOKZPZSA-N 1 3 318.465 0.860 20 0 DCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000359327953 416341760 /nfs/dbraw/zinc/34/17/60/416341760.db2.gz HTZIYISGGMRIOZ-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415565024 416348003 /nfs/dbraw/zinc/34/80/03/416348003.db2.gz QMJQVZTZBJWJES-UHFFFAOYSA-N 1 3 318.421 0.727 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000359906450 416365420 /nfs/dbraw/zinc/36/54/20/416365420.db2.gz VMDNPFKUKBHLLQ-DZGCQCFKSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000359906450 416365421 /nfs/dbraw/zinc/36/54/21/416365421.db2.gz VMDNPFKUKBHLLQ-DZGCQCFKSA-N 1 3 312.458 0.879 20 0 DCADHO COC[C@@]1(CNC(=O)NCCN2CCC(C)CC2)CCC[NH2+]1 ZINC000417005107 416381081 /nfs/dbraw/zinc/38/10/81/416381081.db2.gz CXZPUUHYTSZGBR-INIZCTEOSA-N 1 3 312.458 0.786 20 0 DCADHO COC[C@@]1(CNC(=O)N(CCN(C)C)CC(C)C)CCC[NH2+]1 ZINC000418656799 416388509 /nfs/dbraw/zinc/38/85/09/416388509.db2.gz QBKWMBIQXGHGOV-INIZCTEOSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419117441 416397063 /nfs/dbraw/zinc/39/70/63/416397063.db2.gz HFTJKVWDQCTRJD-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419528062 416403531 /nfs/dbraw/zinc/40/35/31/416403531.db2.gz VYPVAEHRIWEAEE-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419772765 416410092 /nfs/dbraw/zinc/41/00/92/416410092.db2.gz ZDLAQCXBTKQQLG-UONOGXRCSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419783124 416410886 /nfs/dbraw/zinc/41/08/86/416410886.db2.gz UVZZURMZISSWOU-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419778199 416411000 /nfs/dbraw/zinc/41/10/00/416411000.db2.gz OEXFIFZGVVORMP-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419784662 416411432 /nfs/dbraw/zinc/41/14/32/416411432.db2.gz XHDOMUXQOIJQDI-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCN(C2CC2)C1 ZINC000458396343 416462530 /nfs/dbraw/zinc/46/25/30/416462530.db2.gz DPVBWVGUFZGPNF-ZFWWWQNUSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@H]1CCN(C2CC2)C1 ZINC000458396343 416462534 /nfs/dbraw/zinc/46/25/34/416462534.db2.gz DPVBWVGUFZGPNF-ZFWWWQNUSA-N 1 3 310.442 0.369 20 0 DCADHO CC[NH+]1CCN(CCCNC(=O)c2ccnc(CN)c2)CC1 ZINC000361627556 416463905 /nfs/dbraw/zinc/46/39/05/416463905.db2.gz NXAUZLPFBKQBCP-UHFFFAOYSA-N 1 3 305.426 0.298 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)C1 ZINC000458445704 416468967 /nfs/dbraw/zinc/46/89/67/416468967.db2.gz VLOOCNNBMSAXGT-LSDHHAIUSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)C1 ZINC000458445704 416468969 /nfs/dbraw/zinc/46/89/69/416468969.db2.gz VLOOCNNBMSAXGT-LSDHHAIUSA-N 1 3 324.469 0.833 20 0 DCADHO COCCCN(C)CCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458453625 416470465 /nfs/dbraw/zinc/47/04/65/416470465.db2.gz YWIIKABMRQIBEW-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCCN(C)CCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458453625 416470470 /nfs/dbraw/zinc/47/04/70/416470470.db2.gz YWIIKABMRQIBEW-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@@H](C)C(=O)NC(C)C)CC[NH2+]CC1 ZINC000423179265 416475324 /nfs/dbraw/zinc/47/53/24/416475324.db2.gz JMCLYGOPOMKTQA-STQMWFEESA-N 1 3 313.442 0.811 20 0 DCADHO C[C@H]([NH3+])CCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000434676991 416491184 /nfs/dbraw/zinc/49/11/84/416491184.db2.gz VDVPZQDWMFZZBP-HNNXBMFYSA-N 1 3 319.453 0.837 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000423204891 416477234 /nfs/dbraw/zinc/47/72/34/416477234.db2.gz UZQWIMCHDWFWDO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423201791 416478979 /nfs/dbraw/zinc/47/89/79/416478979.db2.gz JLSQMLCPUURDSX-UHFFFAOYSA-N 1 3 324.400 0.133 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000423243437 416480170 /nfs/dbraw/zinc/48/01/70/416480170.db2.gz WMFAWFXTXFXELO-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO COC[C@@]1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[NH2+]C1 ZINC000423307455 416487929 /nfs/dbraw/zinc/48/79/29/416487929.db2.gz NEPIIRLEDFFYIW-SJLPKXTDSA-N 1 3 319.449 0.902 20 0 DCADHO Cn1ncc2c1ncnc2N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000361038192 416419651 /nfs/dbraw/zinc/41/96/51/416419651.db2.gz YYPCYOBIELAJBL-GFCCVEGCSA-N 1 3 315.425 0.944 20 0 DCADHO C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000361355753 416430878 /nfs/dbraw/zinc/43/08/78/416430878.db2.gz IRBCSZRYWJHGPI-GOEBONIOSA-N 1 3 310.486 0.859 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484222 416433969 /nfs/dbraw/zinc/43/39/69/416433969.db2.gz CBFOGNGEHFLUNK-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422484222 416433970 /nfs/dbraw/zinc/43/39/70/416433970.db2.gz CBFOGNGEHFLUNK-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN2CCCO)CCC1 ZINC000458677545 416490268 /nfs/dbraw/zinc/49/02/68/416490268.db2.gz IDLZSRDRKZMUMS-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000422977271 416454831 /nfs/dbraw/zinc/45/48/31/416454831.db2.gz WOODTORWTWZAOY-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422973807 416455424 /nfs/dbraw/zinc/45/54/24/416455424.db2.gz POCGWSGLLWSDTG-ROKHWSDSSA-N 1 3 312.458 0.465 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423544367 416522720 /nfs/dbraw/zinc/52/27/20/416522720.db2.gz CRQBHKRTJHVLDK-MCIONIFRSA-N 1 3 308.426 0.021 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000423599992 416524781 /nfs/dbraw/zinc/52/47/81/416524781.db2.gz XSLNXUBBQABQMX-ZDUSSCGKSA-N 1 3 312.458 0.371 20 0 DCADHO N[C@H](CC1CCCCC1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423649110 416536487 /nfs/dbraw/zinc/53/64/87/416536487.db2.gz OWWMUQRCSDKYSV-HZPDHXFCSA-N 1 3 308.470 0.790 20 0 DCADHO N[C@H](CC1CCCCC1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423649111 416536998 /nfs/dbraw/zinc/53/69/98/416536998.db2.gz OWWMUQRCSDKYSV-JKSUJKDBSA-N 1 3 308.470 0.790 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423370067 416498415 /nfs/dbraw/zinc/49/84/15/416498415.db2.gz GPIKEHUYQCQYAD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000423403963 416506061 /nfs/dbraw/zinc/50/60/61/416506061.db2.gz XMAXPQAGYODZKM-HZSPNIEDSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000423403963 416506063 /nfs/dbraw/zinc/50/60/63/416506063.db2.gz XMAXPQAGYODZKM-HZSPNIEDSA-N 1 3 310.442 0.078 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423513035 416519610 /nfs/dbraw/zinc/51/96/10/416519610.db2.gz BYDCHAMNQOYFCW-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)[C@H]1CN(C)CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000423782410 416564934 /nfs/dbraw/zinc/56/49/34/416564934.db2.gz ZJOBNIPLGRPUBY-IUODEOHRSA-N 1 3 305.426 0.899 20 0 DCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000364852169 416594989 /nfs/dbraw/zinc/59/49/89/416594989.db2.gz SNEIXVYILBQQPC-XHSDSOJGSA-N 1 3 310.486 0.987 20 0 DCADHO COCCN(C)CCCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424136749 416614787 /nfs/dbraw/zinc/61/47/87/416614787.db2.gz RIWAAQKPSUSJSM-ZDUSSCGKSA-N 1 3 323.441 0.575 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H](C[NH3+])C2CCCC2)CC1=O ZINC000423967612 416599043 /nfs/dbraw/zinc/59/90/43/416599043.db2.gz SWNGYABVXYIMDA-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424138374 416615690 /nfs/dbraw/zinc/61/56/90/416615690.db2.gz QCGSXBAEYCRSEN-STQMWFEESA-N 1 3 306.414 0.417 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424138054 416616555 /nfs/dbraw/zinc/61/65/55/416616555.db2.gz SZLQBFJICLFUDL-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO CN(CCCCNC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000439542694 416617940 /nfs/dbraw/zinc/61/79/40/416617940.db2.gz PQRBVHARUHBWMM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCCCNC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000439542694 416617944 /nfs/dbraw/zinc/61/79/44/416617944.db2.gz PQRBVHARUHBWMM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156405 416619687 /nfs/dbraw/zinc/61/96/87/416619687.db2.gz PEQDLSHMUSTGIS-KWCYVHTRSA-N 1 3 318.425 0.415 20 0 DCADHO C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N(C)C1CC1 ZINC000424155643 416619779 /nfs/dbraw/zinc/61/97/79/416619779.db2.gz NGLVHANTPLEIDU-WCQYABFASA-N 1 3 306.414 0.415 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424229577 416628962 /nfs/dbraw/zinc/62/89/62/416628962.db2.gz XPZPJYRKZZKRGA-BARDWOONSA-N 1 3 305.426 0.307 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])C[C@H]2N)cn1 ZINC000424227340 416629886 /nfs/dbraw/zinc/62/98/86/416629886.db2.gz QQEXUQZMTBMPGF-UQOMUDLDSA-N 1 3 305.426 0.581 20 0 DCADHO C[C@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@H]1CCC[NH2+]C1 ZINC000424249567 416633440 /nfs/dbraw/zinc/63/34/40/416633440.db2.gz YHNQDWHSAAEDLB-BFJAYTPKSA-N 1 3 319.453 0.699 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424465386 416649748 /nfs/dbraw/zinc/64/97/48/416649748.db2.gz RPQPRTYJCMOEFN-LSDHHAIUSA-N 1 3 322.457 0.588 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424465386 416649751 /nfs/dbraw/zinc/64/97/51/416649751.db2.gz RPQPRTYJCMOEFN-LSDHHAIUSA-N 1 3 322.457 0.588 20 0 DCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C[C@@H]2CCc3ncnn32)CC1 ZINC000631828456 416752963 /nfs/dbraw/zinc/75/29/63/416752963.db2.gz PJAXUOGKWQCCSE-SQWLQELKSA-N 1 3 305.426 0.984 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756455 416710886 /nfs/dbraw/zinc/71/08/86/416710886.db2.gz DQABDGQYPCCMEQ-VXGBXAGGSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756455 416710889 /nfs/dbraw/zinc/71/08/89/416710889.db2.gz DQABDGQYPCCMEQ-VXGBXAGGSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756455 416710893 /nfs/dbraw/zinc/71/08/93/416710893.db2.gz DQABDGQYPCCMEQ-VXGBXAGGSA-N 1 3 304.394 0.783 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557295408 416732208 /nfs/dbraw/zinc/73/22/08/416732208.db2.gz DQKHMMQTKJQDQM-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000443231470 416740900 /nfs/dbraw/zinc/74/09/00/416740900.db2.gz NFLNYTRIJSFMGN-KBPBESRZSA-N 1 3 314.474 0.983 20 0 DCADHO NCc1cn([C@@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000631844786 416759679 /nfs/dbraw/zinc/75/96/79/416759679.db2.gz MNNUNNYVDNSNQX-QGZVFWFLSA-N 1 3 312.421 0.830 20 0 DCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444263558 416823922 /nfs/dbraw/zinc/82/39/22/416823922.db2.gz AIHOBVXKDCRPDA-QGZVFWFLSA-N 1 3 316.449 0.802 20 0 DCADHO C[N@H+](CCNC(=O)NCCN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000636630012 416804127 /nfs/dbraw/zinc/80/41/27/416804127.db2.gz FDHXICJUNYPCAR-MRXNPFEDSA-N 1 3 320.437 0.484 20 0 DCADHO C[N@@H+](CCNC(=O)NCCN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000636630012 416804133 /nfs/dbraw/zinc/80/41/33/416804133.db2.gz FDHXICJUNYPCAR-MRXNPFEDSA-N 1 3 320.437 0.484 20 0 DCADHO N[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000517739384 416821069 /nfs/dbraw/zinc/82/10/69/416821069.db2.gz OLELMYFZRIVJBS-ZIAGYGMSSA-N 1 3 304.394 0.061 20 0 DCADHO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC1CCN(C2CC2)CC1 ZINC000428041844 416868187 /nfs/dbraw/zinc/86/81/87/416868187.db2.gz SGQMACXGEWBHOF-CJNGLKHVSA-N 1 3 306.454 0.413 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000563132543 416874987 /nfs/dbraw/zinc/87/49/87/416874987.db2.gz UBKYAUZUQDHABV-NEPJUHHUSA-N 1 3 308.430 1.397 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000641413411 416840168 /nfs/dbraw/zinc/84/01/68/416840168.db2.gz HHUHYRNTFBUAGX-CZUORRHYSA-N 1 3 306.410 0.270 20 0 DCADHO CC1CC[NH+](C[C@H]2CCCN(c3nc(N)nc(N)n3)C2)CC1 ZINC000623911810 416918349 /nfs/dbraw/zinc/91/83/49/416918349.db2.gz OAFQRCNXPATTGM-GFCCVEGCSA-N 1 3 305.430 0.645 20 0 DCADHO CN1C(=O)NC2(CC[NH+](CC[C@@H]3CCCCN3C)CC2)C1=O ZINC000372373396 416934900 /nfs/dbraw/zinc/93/49/00/416934900.db2.gz CNFUFAJHWMUUMW-ZDUSSCGKSA-N 1 3 308.426 0.877 20 0 DCADHO C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC[N@@H+]1C ZINC000624137178 416965458 /nfs/dbraw/zinc/96/54/58/416965458.db2.gz FAERLDWMWKQDIX-REWJHTLYSA-N 1 3 303.472 0.919 20 0 DCADHO C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC[N@H+]1C ZINC000624137178 416965462 /nfs/dbraw/zinc/96/54/62/416965462.db2.gz FAERLDWMWKQDIX-REWJHTLYSA-N 1 3 303.472 0.919 20 0 DCADHO C(CN1CCC(OC[C@H]2CCCCO2)CC1)N1CC[NH2+]CC1 ZINC000565480675 416982988 /nfs/dbraw/zinc/98/29/88/416982988.db2.gz GYXURKGMMHVOKO-QGZVFWFLSA-N 1 3 311.470 0.942 20 0 DCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccnn1C ZINC000447528684 417006320 /nfs/dbraw/zinc/00/63/20/417006320.db2.gz JMZMWABQSICLCF-HNNXBMFYSA-N 1 3 309.458 0.461 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785848 417100804 /nfs/dbraw/zinc/10/08/04/417100804.db2.gz NCQKCQWOZGCWDM-AWEZNQCLSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000642262590 417038477 /nfs/dbraw/zinc/03/84/77/417038477.db2.gz ISWLEMVTFSSZOC-OLZOCXBDSA-N 1 3 306.410 0.087 20 0 DCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000430598705 417048341 /nfs/dbraw/zinc/04/83/41/417048341.db2.gz OOXLWPMSFYICOS-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000642439329 417053614 /nfs/dbraw/zinc/05/36/14/417053614.db2.gz BTFHTJAIBCYZQJ-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000642439765 417053866 /nfs/dbraw/zinc/05/38/66/417053866.db2.gz OMRUBWVIMZJTBD-MCIONIFRSA-N 1 3 310.442 0.363 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000637257799 417054127 /nfs/dbraw/zinc/05/41/27/417054127.db2.gz AKNFZSYIQBBYDJ-RRFJBIMHSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000637257799 417054129 /nfs/dbraw/zinc/05/41/29/417054129.db2.gz AKNFZSYIQBBYDJ-RRFJBIMHSA-N 1 3 310.442 0.369 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000642440031 417055990 /nfs/dbraw/zinc/05/59/90/417055990.db2.gz WDCLOLKWBMBIEF-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000642440150 417056791 /nfs/dbraw/zinc/05/67/91/417056791.db2.gz XGOGZSYPWJGSIC-BFHYXJOUSA-N 1 3 310.442 0.234 20 0 DCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000430692650 417059324 /nfs/dbraw/zinc/05/93/24/417059324.db2.gz UNDWIZRZYBLEME-UHFFFAOYSA-N 1 3 304.394 0.671 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)COC2CNC2)[C@H](C)C1 ZINC000430704335 417061698 /nfs/dbraw/zinc/06/16/98/417061698.db2.gz IAEUARSRSUFHJX-UKRRQHHQSA-N 1 3 313.442 0.228 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)COC2CNC2)[C@H](C)C1 ZINC000430704335 417061705 /nfs/dbraw/zinc/06/17/05/417061705.db2.gz IAEUARSRSUFHJX-UKRRQHHQSA-N 1 3 313.442 0.228 20 0 DCADHO C[NH+](C)CCOc1ccc(CNC(=O)COC2CNC2)cc1 ZINC000430760739 417063078 /nfs/dbraw/zinc/06/30/78/417063078.db2.gz SGYVOZMWGCXEMV-UHFFFAOYSA-N 1 3 307.394 0.232 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000448251668 417066363 /nfs/dbraw/zinc/06/63/63/417066363.db2.gz HNLSFIFXIQNZJA-XJKSGUPXSA-N 1 3 314.474 0.719 20 0 DCADHO COCCN(C)CCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000378336284 417079081 /nfs/dbraw/zinc/07/90/81/417079081.db2.gz VBKRYQUTAIHVCV-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000642731657 417084090 /nfs/dbraw/zinc/08/40/90/417084090.db2.gz COJUNDJDBCZXPI-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642732142 417085471 /nfs/dbraw/zinc/08/54/71/417085471.db2.gz FWOPDZFORQEKDI-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)NCCN(CC)C2CC2)CC[C@@H]1[NH3+] ZINC000642756027 417090539 /nfs/dbraw/zinc/09/05/39/417090539.db2.gz GMYAZWJDHDECGA-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642808214 417105970 /nfs/dbraw/zinc/10/59/70/417105970.db2.gz MABURRVODBVVKG-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642913653 417120734 /nfs/dbraw/zinc/12/07/34/417120734.db2.gz OZWCAPCGEZVKDR-OAHLLOKOSA-N 1 3 318.421 0.055 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449322174 417138989 /nfs/dbraw/zinc/13/89/89/417138989.db2.gz WNCJSZWSJVRODY-KBPBESRZSA-N 1 3 320.441 0.634 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642989312 417140197 /nfs/dbraw/zinc/14/01/97/417140197.db2.gz NUZRVPDGLIQZBV-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)n(C)c1 ZINC000525890343 417160831 /nfs/dbraw/zinc/16/08/31/417160831.db2.gz YLSHUPXVEHMUTH-UHFFFAOYSA-N 1 3 323.441 0.651 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000449622775 417158329 /nfs/dbraw/zinc/15/83/29/417158329.db2.gz FTDLSFUUVQXHGS-AWEZNQCLSA-N 1 3 318.421 0.755 20 0 DCADHO CCCN1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632567722 417168282 /nfs/dbraw/zinc/16/82/82/417168282.db2.gz MKERHPPSJPBFNX-CQSZACIVSA-N 1 3 303.472 0.876 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000637806261 417188543 /nfs/dbraw/zinc/18/85/43/417188543.db2.gz QQFSYIPVSQBLDW-GJZGRUSLSA-N 1 3 315.458 0.700 20 0 DCADHO CN(C)CCn1cc(C(=O)NCC23CCC[NH+]2CCC3)cn1 ZINC000632799645 417269517 /nfs/dbraw/zinc/26/95/17/417269517.db2.gz CYDJBEHFPAVMAU-UHFFFAOYSA-N 1 3 305.426 0.803 20 0 DCADHO COC[C@@]1(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)CCCN1 ZINC000632869924 417282908 /nfs/dbraw/zinc/28/29/08/417282908.db2.gz SKEWBAQTCWEUMI-CXAGYDPISA-N 1 3 303.406 0.919 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@]1(CO)COCC2(CCC2)N1C ZINC000527953561 417287030 /nfs/dbraw/zinc/28/70/30/417287030.db2.gz XALGYYOONZQAAD-VYDXJSESSA-N 1 3 311.470 0.532 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@]1(CO)COCC2(CCC2)N1C ZINC000527953561 417287036 /nfs/dbraw/zinc/28/70/36/417287036.db2.gz XALGYYOONZQAAD-VYDXJSESSA-N 1 3 311.470 0.532 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414695068 417295400 /nfs/dbraw/zinc/29/54/00/417295400.db2.gz OSCNRQDRKMFSQI-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CN(C)CCn1ccc(NC(=O)CCCN2CCC([NH3+])CC2)n1 ZINC000433177490 417238388 /nfs/dbraw/zinc/23/83/88/417238388.db2.gz QTUJYTLEIYVQNJ-UHFFFAOYSA-N 1 3 322.457 0.587 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000643552854 417242529 /nfs/dbraw/zinc/24/25/29/417242529.db2.gz RQGWOYGEBMNBJD-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000627135339 417244832 /nfs/dbraw/zinc/24/48/32/417244832.db2.gz QVLJQDWMQALCLB-KGLIPLIRSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000627135339 417244836 /nfs/dbraw/zinc/24/48/36/417244836.db2.gz QVLJQDWMQALCLB-KGLIPLIRSA-N 1 3 321.429 0.178 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@H+](CCC(=O)N1CCN(C)CC1)C2 ZINC000643611556 417255725 /nfs/dbraw/zinc/25/57/25/417255725.db2.gz WSTLTJJIDBBTCF-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@@H+](CCC(=O)N1CCN(C)CC1)C2 ZINC000643611556 417255735 /nfs/dbraw/zinc/25/57/35/417255735.db2.gz WSTLTJJIDBBTCF-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CCN2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000643611556 417255739 /nfs/dbraw/zinc/25/57/39/417255739.db2.gz WSTLTJJIDBBTCF-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CCN2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000643611556 417255746 /nfs/dbraw/zinc/25/57/46/417255746.db2.gz WSTLTJJIDBBTCF-KRWDZBQOSA-N 1 3 308.470 0.568 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000569492623 417259456 /nfs/dbraw/zinc/25/94/56/417259456.db2.gz FMVVXVKXWBJMQH-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633083220 417350075 /nfs/dbraw/zinc/35/00/75/417350075.db2.gz TWAFZCFJTJVDJD-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633086659 417351640 /nfs/dbraw/zinc/35/16/40/417351640.db2.gz YTHFZJKKEZYRNU-ZFWWWQNUSA-N 1 3 320.437 0.036 20 0 DCADHO CCN(CC)C[C@H](C)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000570509104 417362516 /nfs/dbraw/zinc/36/25/16/417362516.db2.gz SQTCYVKZZUMTGL-CAOSSQGBSA-N 1 3 301.475 0.776 20 0 DCADHO CN1CCN(c2ncc(CNCCC[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000414973849 417320262 /nfs/dbraw/zinc/32/02/62/417320262.db2.gz MYTIMQQDIXXAKS-MRXNPFEDSA-N 1 3 318.469 0.850 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633021820 417322407 /nfs/dbraw/zinc/32/24/07/417322407.db2.gz BEKOCCYDRQZJOR-KBPBESRZSA-N 1 3 316.405 0.302 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000415088029 417327015 /nfs/dbraw/zinc/32/70/15/417327015.db2.gz UOJPNSDZXLGCFU-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC2([NH3+])CCCCC2)n1 ZINC000415217231 417342422 /nfs/dbraw/zinc/34/24/22/417342422.db2.gz QNUYVXHMRBHTNJ-UHFFFAOYSA-N 1 3 308.430 1.228 20 0 DCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000638242755 417390297 /nfs/dbraw/zinc/39/02/97/417390297.db2.gz SMFAZKUGIJHBCF-CZUORRHYSA-N 1 3 305.378 0.874 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638262539 417396131 /nfs/dbraw/zinc/39/61/31/417396131.db2.gz MSKSQZWNTZIINV-CVEARBPZSA-N 1 3 318.465 0.950 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000571047807 417418304 /nfs/dbraw/zinc/41/83/04/417418304.db2.gz MLLGELCNKZORKF-AWEZNQCLSA-N 1 3 310.442 0.078 20 0 DCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000638348220 417429803 /nfs/dbraw/zinc/42/98/03/417429803.db2.gz FHVNYRMKCIILCZ-GKKDWNQVSA-N 1 3 321.396 0.846 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622026245 417369829 /nfs/dbraw/zinc/36/98/29/417369829.db2.gz HNVLECOLKGNMTG-WMLDXEAASA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622025189 417370231 /nfs/dbraw/zinc/37/02/31/417370231.db2.gz MDYIVDLUBGNLSD-WMLDXEAASA-N 1 3 324.469 0.372 20 0 DCADHO CC1(OCC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CNC1 ZINC000638553587 417488474 /nfs/dbraw/zinc/48/84/74/417488474.db2.gz BNQJHZBQDQVRSR-UWVGGRQHSA-N 1 3 309.332 0.351 20 0 DCADHO O=C(CN1CCNCC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000638413286 417448961 /nfs/dbraw/zinc/44/89/61/417448961.db2.gz RREWBQRSSJIHSJ-HOTGVXAUSA-N 1 3 320.412 0.293 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCO[C@H]4C[C@H]43)CC2)CC1 ZINC000644133547 417478821 /nfs/dbraw/zinc/47/88/21/417478821.db2.gz FXAGYTWGGMXOBP-CVEARBPZSA-N 1 3 322.453 0.728 20 0 DCADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000644149179 417482424 /nfs/dbraw/zinc/48/24/24/417482424.db2.gz FYJRRAIUAJVFEV-TZMCWYRMSA-N 1 3 306.414 0.183 20 0 DCADHO CN(C[C@H](O)C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000575377319 417532855 /nfs/dbraw/zinc/53/28/55/417532855.db2.gz LDHLLSMHCMQGKO-IXDOHACOSA-N 1 3 311.470 0.409 20 0 DCADHO CN1CCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000638727528 417541051 /nfs/dbraw/zinc/54/10/51/417541051.db2.gz JBHCLSUIYAGWDO-STQMWFEESA-N 1 3 306.414 0.417 20 0 DCADHO CC(C)N1CCC(O)(C[NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000638737557 417546291 /nfs/dbraw/zinc/54/62/91/417546291.db2.gz FEHJLDKWDDFFRL-UHFFFAOYSA-N 1 3 313.486 0.922 20 0 DCADHO CC(=O)NCC(=O)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000530232780 417557173 /nfs/dbraw/zinc/55/71/73/417557173.db2.gz SDMXQBNHVLHMLB-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000576398589 417604777 /nfs/dbraw/zinc/60/47/77/417604777.db2.gz SIELOIKMWPGQJY-INIZCTEOSA-N 1 3 317.433 0.963 20 0 DCADHO CO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000531240146 417609451 /nfs/dbraw/zinc/60/94/51/417609451.db2.gz ICBDYJXPNIWPGD-ZIAGYGMSSA-N 1 3 314.474 0.935 20 0 DCADHO [NH3+][C@H](CCNC(=O)[C@@H]1CN2CCC[C@H]2CO1)Cc1ccccc1 ZINC000638878868 417575895 /nfs/dbraw/zinc/57/58/95/417575895.db2.gz HFKDCQSAGYTRPU-IKGGRYGDSA-N 1 3 317.433 0.926 20 0 DCADHO CN1CCN(CC[NH2+]CC(C)(C)N2CCOCC2)CC1(C)C ZINC000639136152 417625638 /nfs/dbraw/zinc/62/56/38/417625638.db2.gz JWYUYMRVHNGUGT-UHFFFAOYSA-N 1 3 312.502 0.713 20 0 DCADHO CNC(=O)c1cccc(CCNC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000644572631 417621470 /nfs/dbraw/zinc/62/14/70/417621470.db2.gz SOPWGNLQOHEXDO-MRXNPFEDSA-N 1 3 305.422 0.633 20 0 DCADHO CNC(=O)c1cccc(CCNC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000644572631 417621475 /nfs/dbraw/zinc/62/14/75/417621475.db2.gz SOPWGNLQOHEXDO-MRXNPFEDSA-N 1 3 305.422 0.633 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635542291 417694335 /nfs/dbraw/zinc/69/43/35/417694335.db2.gz BGLBKOWYSGQXIL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCCCC[N@H+](C)C2CC2)CC1=O ZINC000457213367 417696465 /nfs/dbraw/zinc/69/64/65/417696465.db2.gz YQDUZEFFEZATCK-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCCCC[N@@H+](C)C2CC2)CC1=O ZINC000457213367 417696469 /nfs/dbraw/zinc/69/64/69/417696469.db2.gz YQDUZEFFEZATCK-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000645135577 417704806 /nfs/dbraw/zinc/70/48/06/417704806.db2.gz CHSFFHDWTSHDDY-MELADBBJSA-N 1 3 322.453 0.091 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC000635570512 417706017 /nfs/dbraw/zinc/70/60/17/417706017.db2.gz DMYNLKYHTFRZLZ-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000457383763 417707061 /nfs/dbraw/zinc/70/70/61/417707061.db2.gz GFLAJMIGRBEHMS-CQSZACIVSA-N 1 3 300.447 0.474 20 0 DCADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)N1CCOCC1 ZINC000639682371 417714952 /nfs/dbraw/zinc/71/49/52/417714952.db2.gz VBKFCCVUAGKFBX-UHFFFAOYSA-N 1 3 318.421 0.843 20 0 DCADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)N1CCOCC1 ZINC000639682371 417714957 /nfs/dbraw/zinc/71/49/57/417714957.db2.gz VBKFCCVUAGKFBX-UHFFFAOYSA-N 1 3 318.421 0.843 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NCCCCN1CCN(C)CC1 ZINC000580631909 417716594 /nfs/dbraw/zinc/71/65/94/417716594.db2.gz CEZIVGQNVNJISE-HNNXBMFYSA-N 1 3 313.490 0.831 20 0 DCADHO Cc1cc(CN(C)C)cc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000662510949 417787028 /nfs/dbraw/zinc/78/70/28/417787028.db2.gz YQHCUQUKNDTQDA-UHFFFAOYSA-N 1 3 302.382 0.859 20 0 DCADHO COC1CCN(CCNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000646181063 417799737 /nfs/dbraw/zinc/79/97/37/417799737.db2.gz SESPTNQZRPKXRR-LBPRGKRZSA-N 1 3 301.456 0.309 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@H](CC)CN2CCCC2)C[C@H]1C[NH3+] ZINC000652167370 417855565 /nfs/dbraw/zinc/85/55/65/417855565.db2.gz SFLITVHRRMIUHD-RBSFLKMASA-N 1 3 312.458 0.866 20 0 DCADHO CC[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CO1 ZINC000657490557 417865572 /nfs/dbraw/zinc/86/55/72/417865572.db2.gz NTPGLZWRRWQHQW-CVEARBPZSA-N 1 3 311.470 0.940 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCN1C ZINC000662731306 417876875 /nfs/dbraw/zinc/87/68/75/417876875.db2.gz BJAUXPJFGYTHEG-MGPQQGTHSA-N 1 3 320.441 0.805 20 0 DCADHO CN(C)C1(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000662739208 417879343 /nfs/dbraw/zinc/87/93/43/417879343.db2.gz DHPSPUBUVFOHFA-CVEARBPZSA-N 1 3 317.433 0.566 20 0 DCADHO CNS(=O)(=O)CCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348470 417888129 /nfs/dbraw/zinc/88/81/29/417888129.db2.gz FIRXFLFHVXCFOJ-IHRRRGAJSA-N 1 3 319.471 0.144 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCN2C(=O)CCC2=O)C1 ZINC000652361435 417890912 /nfs/dbraw/zinc/89/09/12/417890912.db2.gz HKLRXSQKJAIWBY-MCIONIFRSA-N 1 3 309.410 0.496 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662757777 417892499 /nfs/dbraw/zinc/89/24/99/417892499.db2.gz NLLHBNLBFRUKDW-CQSZACIVSA-N 1 3 308.470 0.803 20 0 DCADHO CCN1CCN(CCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662756422 417892754 /nfs/dbraw/zinc/89/27/54/417892754.db2.gz HPNUXOCIKJSSEB-ZDUSSCGKSA-N 1 3 322.375 0.282 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662791102 417906207 /nfs/dbraw/zinc/90/62/07/417906207.db2.gz SLOXHPOCHGPQAC-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO CC[C@@H](CNC(=O)COCC[NH3+])N1CCc2ccccc2C1 ZINC000646407987 417843924 /nfs/dbraw/zinc/84/39/24/417843924.db2.gz FKBZMHBOVFHSKU-INIZCTEOSA-N 1 3 305.422 0.915 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C1 ZINC000646003197 417845820 /nfs/dbraw/zinc/84/58/20/417845820.db2.gz WHHVHXFTFMQVFW-HNNXBMFYSA-N 1 3 308.470 0.744 20 0 DCADHO C[C@@H]1CCN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000652612598 417931411 /nfs/dbraw/zinc/93/14/11/417931411.db2.gz WWHRRZGAWXEBKH-OLZOCXBDSA-N 1 3 308.430 0.893 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000658115734 417938456 /nfs/dbraw/zinc/93/84/56/417938456.db2.gz XPVDDKCTEMVPKB-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652668277 417938668 /nfs/dbraw/zinc/93/86/68/417938668.db2.gz VFZNBKONYXOTSE-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652667577 417939382 /nfs/dbraw/zinc/93/93/82/417939382.db2.gz WRQWOSKZUJFWGA-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652702170 417948962 /nfs/dbraw/zinc/94/89/62/417948962.db2.gz RGFVIAXQGCDBTI-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO C[NH+](C)[C@@H](CNC(=O)NCCN1CC[C@@H](O)C1)c1ccccc1 ZINC000636456123 417950095 /nfs/dbraw/zinc/95/00/95/417950095.db2.gz RBRWPRPDTGBKAL-CVEARBPZSA-N 1 3 320.437 0.655 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2CCCCN2)CC1 ZINC000662939465 417958375 /nfs/dbraw/zinc/95/83/75/417958375.db2.gz GCJJHWDVMGYSDI-CQSZACIVSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C)CCN1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1=O ZINC000653037539 418015272 /nfs/dbraw/zinc/01/52/72/418015272.db2.gz GQDWIFGDOVHKOU-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCN1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1=O ZINC000653037539 418015274 /nfs/dbraw/zinc/01/52/74/418015274.db2.gz GQDWIFGDOVHKOU-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cn1 ZINC000647549856 418020812 /nfs/dbraw/zinc/02/08/12/418020812.db2.gz UEQQXVDMFSKRHD-XPCVCDNBSA-N 1 3 303.410 0.503 20 0 DCADHO CN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663446992 418020813 /nfs/dbraw/zinc/02/08/13/418020813.db2.gz RHSWUYQOUMQRTB-OAHLLOKOSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663446992 418020815 /nfs/dbraw/zinc/02/08/15/418020815.db2.gz RHSWUYQOUMQRTB-OAHLLOKOSA-N 1 3 310.442 0.321 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000663500240 418027278 /nfs/dbraw/zinc/02/72/78/418027278.db2.gz JDMVYEHQJGABQT-LSDHHAIUSA-N 1 3 322.453 0.128 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000663500240 418027283 /nfs/dbraw/zinc/02/72/83/418027283.db2.gz JDMVYEHQJGABQT-LSDHHAIUSA-N 1 3 322.453 0.128 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113676 418028792 /nfs/dbraw/zinc/02/87/92/418028792.db2.gz LEDARZITSIWLQK-ZOBUZTSGSA-N 1 3 309.454 0.993 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653150353 418036796 /nfs/dbraw/zinc/03/67/96/418036796.db2.gz ZVJANINQCUBPLZ-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO CC[NH2+]CCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659514403 418109863 /nfs/dbraw/zinc/10/98/63/418109863.db2.gz JKGMDUMEXPBABC-MRXNPFEDSA-N 1 3 320.437 0.662 20 0 DCADHO C[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000647769854 418053409 /nfs/dbraw/zinc/05/34/09/418053409.db2.gz MLBCVULKCHRAIY-ZBFHGGJFSA-N 1 3 304.438 0.686 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663775828 418055625 /nfs/dbraw/zinc/05/56/25/418055625.db2.gz LHXDYDLLSKMDOK-DZGCQCFKSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663775828 418055629 /nfs/dbraw/zinc/05/56/29/418055629.db2.gz LHXDYDLLSKMDOK-DZGCQCFKSA-N 1 3 310.442 0.321 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000659112743 418063084 /nfs/dbraw/zinc/06/30/84/418063084.db2.gz KRGKBQQITLBCIO-LBPRGKRZSA-N 1 3 306.410 0.453 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H](O)C3)CC2)CC1 ZINC000663877549 418063513 /nfs/dbraw/zinc/06/35/13/418063513.db2.gz ZKMVTWLPTREUCA-CTYIDZIISA-N 1 3 310.442 0.368 20 0 DCADHO C[NH+]1CCC(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000664002252 418073942 /nfs/dbraw/zinc/07/39/42/418073942.db2.gz FKTMNSZUIGSBAK-MRXNPFEDSA-N 1 3 324.469 0.881 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978826 418081852 /nfs/dbraw/zinc/08/18/52/418081852.db2.gz YUWUKLKFYYYSOB-UONOGXRCSA-N 1 3 303.472 0.637 20 0 DCADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000647977397 418082124 /nfs/dbraw/zinc/08/21/24/418082124.db2.gz AUUSFRYWZQJPNO-PMPSAXMXSA-N 1 3 309.454 0.993 20 0 DCADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389371 418089093 /nfs/dbraw/zinc/08/90/93/418089093.db2.gz SHGXBMVHQMKRBF-HZSPNIEDSA-N 1 3 304.369 0.935 20 0 DCADHO CN(C)CCC[N@H+](C)CCNc1nc(N)nc2c1cnn2C ZINC000664246427 418103203 /nfs/dbraw/zinc/10/32/03/418103203.db2.gz ZREVZSNUHAHIMM-UHFFFAOYSA-N 1 3 306.418 0.241 20 0 DCADHO CN(C)CCC[N@@H+](C)CCNc1nc(N)nc2c1cnn2C ZINC000664246427 418103205 /nfs/dbraw/zinc/10/32/05/418103205.db2.gz ZREVZSNUHAHIMM-UHFFFAOYSA-N 1 3 306.418 0.241 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648151664 418106647 /nfs/dbraw/zinc/10/66/47/418106647.db2.gz CGTNCMQYXDTPEL-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659507987 418107845 /nfs/dbraw/zinc/10/78/45/418107845.db2.gz OTJBHMLUEPCUBU-OAHLLOKOSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC000659607603 418124133 /nfs/dbraw/zinc/12/41/33/418124133.db2.gz CEMATJIGUFERSX-FMKPAKJESA-N 1 3 324.469 0.866 20 0 DCADHO O=C(NCC12CC(C1)C[NH2+]2)NC1CCN([C@H]2CCOC2)CC1 ZINC000659607659 418124433 /nfs/dbraw/zinc/12/44/33/418124433.db2.gz DINYQLHCIMFSIG-UGWHAMFMSA-N 1 3 308.426 0.291 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000659609793 418125237 /nfs/dbraw/zinc/12/52/37/418125237.db2.gz LQEXLRMZRZKOCQ-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659608514 418125686 /nfs/dbraw/zinc/12/56/86/418125686.db2.gz OSJXJZBFYNWBNE-CQSZACIVSA-N 1 3 312.458 0.866 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659628414 418130519 /nfs/dbraw/zinc/13/05/19/418130519.db2.gz CMGZPFUCLFKSLS-NSHDSACASA-N 1 3 310.402 0.156 20 0 DCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654373751 418137654 /nfs/dbraw/zinc/13/76/54/418137654.db2.gz ATQNFANRNHJUIA-QLFBSQMISA-N 1 3 310.442 0.321 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H](CN)C1 ZINC000659681520 418145530 /nfs/dbraw/zinc/14/55/30/418145530.db2.gz ILLUVLWPPRMYDI-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](CN)C1 ZINC000659681520 418145534 /nfs/dbraw/zinc/14/55/34/418145534.db2.gz ILLUVLWPPRMYDI-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000654528331 418157810 /nfs/dbraw/zinc/15/78/10/418157810.db2.gz QZYXLWGQVVFLPV-HRCADAONSA-N 1 3 324.469 0.711 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000659713143 418158014 /nfs/dbraw/zinc/15/80/14/418158014.db2.gz BWXZOBRVBHVDJZ-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000659720327 418161492 /nfs/dbraw/zinc/16/14/92/418161492.db2.gz CBBCYRBPHCTEJQ-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659721848 418162500 /nfs/dbraw/zinc/16/25/00/418162500.db2.gz LEHASLYHEXSLDE-AGIUHOORSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000659738693 418170508 /nfs/dbraw/zinc/17/05/08/418170508.db2.gz IMZFAGOHZRJDRP-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)C1 ZINC000659738701 418171083 /nfs/dbraw/zinc/17/10/83/418171083.db2.gz INIYZFMABUPFHT-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@H]2CNCCC2(F)F)CCOCC1 ZINC000649332393 418239932 /nfs/dbraw/zinc/23/99/32/418239932.db2.gz YOXOZYOTHPBDBV-LLVKDONJSA-N 1 3 305.369 0.458 20 0 DCADHO COCCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC[NH2+]CC1 ZINC000649348234 418245174 /nfs/dbraw/zinc/24/51/74/418245174.db2.gz DVQSEMQXKKOGTR-UKRRQHHQSA-N 1 3 309.454 0.992 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2O1 ZINC000649347137 418246010 /nfs/dbraw/zinc/24/60/10/418246010.db2.gz GUIMGZRADKQLKV-BCUIYNNISA-N 1 3 301.390 0.808 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000649411850 418253046 /nfs/dbraw/zinc/25/30/46/418253046.db2.gz JKNAPAYALGYOEC-BZSNNMDCSA-N 1 3 319.449 0.324 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000649411850 418253048 /nfs/dbraw/zinc/25/30/48/418253048.db2.gz JKNAPAYALGYOEC-BZSNNMDCSA-N 1 3 319.449 0.324 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660074960 418228328 /nfs/dbraw/zinc/22/83/28/418228328.db2.gz SMBBWPPFQBHJMY-SJORKVTESA-N 1 3 312.502 0.399 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660074960 418228332 /nfs/dbraw/zinc/22/83/32/418228332.db2.gz SMBBWPPFQBHJMY-SJORKVTESA-N 1 3 312.502 0.399 20 0 DCADHO CCCN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000660711296 418284925 /nfs/dbraw/zinc/28/49/25/418284925.db2.gz WOCOYLOYQKCBCL-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919583 418300936 /nfs/dbraw/zinc/30/09/36/418300936.db2.gz HUGYLQPYNYZTMR-SNVBAGLBSA-N 1 3 312.336 0.286 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H](C[NH3+])C(F)(F)F)n1 ZINC000655925284 418302545 /nfs/dbraw/zinc/30/25/45/418302545.db2.gz ZQKSKEZPKQXVLO-MRVPVSSYSA-N 1 3 308.308 0.456 20 0 DCADHO COCCN1CCN(C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC000660917507 418303807 /nfs/dbraw/zinc/30/38/07/418303807.db2.gz UCGCYBWKZAJDQK-OAHLLOKOSA-N 1 3 301.475 0.730 20 0 DCADHO COCCN1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC000660917507 418303810 /nfs/dbraw/zinc/30/38/10/418303810.db2.gz UCGCYBWKZAJDQK-OAHLLOKOSA-N 1 3 301.475 0.730 20 0 DCADHO [NH3+][C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655964039 418308038 /nfs/dbraw/zinc/30/80/38/418308038.db2.gz WUBAVQOCSVZZGQ-ZNMIVQPWSA-N 1 3 304.394 0.147 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000655973948 418310408 /nfs/dbraw/zinc/31/04/08/418310408.db2.gz KXSVOXGVWKZQFW-AJNGGQMLSA-N 1 3 310.442 0.761 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656020078 418317914 /nfs/dbraw/zinc/31/79/14/418317914.db2.gz MXUBTIUAWQVKFX-RRFJBIMHSA-N 1 3 322.453 0.378 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000656021567 418318943 /nfs/dbraw/zinc/31/89/43/418318943.db2.gz BGMVHYOEBSTGNU-CFVMTHIKSA-N 1 3 318.421 0.259 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656025583 418320537 /nfs/dbraw/zinc/32/05/37/418320537.db2.gz NVNRHDRZAKYEHJ-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028734 418321100 /nfs/dbraw/zinc/32/11/00/418321100.db2.gz PVLYJJSJGLQDLW-GBJTYRQASA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000660484433 418262997 /nfs/dbraw/zinc/26/29/97/418262997.db2.gz XLXXYZUNJYGEQA-IRXDYDNUSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000660484433 418263000 /nfs/dbraw/zinc/26/30/00/418263000.db2.gz XLXXYZUNJYGEQA-IRXDYDNUSA-N 1 3 313.486 0.732 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2C[C@H]3COC[C@]3(C)C2)C1=O ZINC000656479094 418357567 /nfs/dbraw/zinc/35/75/67/418357567.db2.gz WQPHTZUMANQTMG-XEZPLFJOSA-N 1 3 309.410 0.034 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000661834411 418363608 /nfs/dbraw/zinc/36/36/08/418363608.db2.gz GVBJROQOSQZQGJ-CABCVRRESA-N 1 3 309.454 0.869 20 0 DCADHO CN(CC(=O)N1CCNCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662238832 418392952 /nfs/dbraw/zinc/39/29/52/418392952.db2.gz XYACCBGWXUMUDW-UHFFFAOYSA-N 1 3 302.422 0.196 20 0 DCADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000662261222 418394742 /nfs/dbraw/zinc/39/47/42/418394742.db2.gz GLNLJDKEALUAHT-UONOGXRCSA-N 1 3 317.437 0.925 20 0 DCADHO COCCCN(C)CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662475325 418411758 /nfs/dbraw/zinc/41/17/58/418411758.db2.gz KUQBBGMKQVYZPJ-LBPRGKRZSA-N 1 3 309.414 0.185 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000237027942 261156859 /nfs/dbraw/zinc/15/68/59/261156859.db2.gz AFOLIVBIXALBNH-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340217683 261182370 /nfs/dbraw/zinc/18/23/70/261182370.db2.gz LTNUGZYKLHWUNG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)C1CC1 ZINC000340505989 261183192 /nfs/dbraw/zinc/18/31/92/261183192.db2.gz CBADDZADVWLFEZ-CHWSQXEVSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N(C)C1CC1 ZINC000340505989 261183194 /nfs/dbraw/zinc/18/31/94/261183194.db2.gz CBADDZADVWLFEZ-CHWSQXEVSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCC1 ZINC000354662594 261253832 /nfs/dbraw/zinc/25/38/32/261253832.db2.gz MDAKJNHUQBDEOX-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000354943486 261290591 /nfs/dbraw/zinc/29/05/91/261290591.db2.gz SJUBEKZXDYKBQH-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000354943486 261290593 /nfs/dbraw/zinc/29/05/93/261290593.db2.gz SJUBEKZXDYKBQH-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000355276023 261324620 /nfs/dbraw/zinc/32/46/20/261324620.db2.gz SLCOHOCQUDOKMC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000355297872 261327230 /nfs/dbraw/zinc/32/72/30/261327230.db2.gz LFQUWDZFCSTOEG-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362564789 262047652 /nfs/dbraw/zinc/04/76/52/262047652.db2.gz OBZRMQAEKFOSEE-STQMWFEESA-N 1 3 321.425 0.327 20 0 DCADHO Cc1cc(NC(=O)C(=O)NCCN(C)C)ccc1C[NH+](C)C ZINC000411226678 262167717 /nfs/dbraw/zinc/16/77/17/262167717.db2.gz NWMPGVNJKLMWTL-UHFFFAOYSA-N 1 3 306.410 0.673 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417094877 262245435 /nfs/dbraw/zinc/24/54/35/262245435.db2.gz RNUNNRTVXNURQG-CQSZACIVSA-N 1 3 300.447 0.771 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417105717 262246206 /nfs/dbraw/zinc/24/62/06/262246206.db2.gz GVQFYDRYCMGUGO-GFCCVEGCSA-N 1 3 300.472 0.994 20 0 DCADHO CN(CCNC(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000417229701 262247733 /nfs/dbraw/zinc/24/77/33/262247733.db2.gz IRSKBHXEWMMJFP-OAHLLOKOSA-N 1 3 306.410 0.488 20 0 DCADHO CCCN(C(=O)NCCN(C)CCOC)C1CC[NH2+]CC1 ZINC000417437062 262251628 /nfs/dbraw/zinc/25/16/28/262251628.db2.gz GGSSOFHRUTVSHD-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417442676 262252105 /nfs/dbraw/zinc/25/21/05/262252105.db2.gz VKPNLMUOIZMXET-OAHLLOKOSA-N 1 3 312.458 0.596 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000417524058 262254307 /nfs/dbraw/zinc/25/43/07/262254307.db2.gz IZRMZTPXGBWAQM-HNNXBMFYSA-N 1 3 320.437 0.912 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)NCC2C[NH2+]C2)cc1 ZINC000417526660 262254625 /nfs/dbraw/zinc/25/46/25/262254625.db2.gz NCXYWTBCZTUSCH-UHFFFAOYSA-N 1 3 320.437 0.688 20 0 DCADHO C[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000417587132 262256062 /nfs/dbraw/zinc/25/60/62/262256062.db2.gz NOZHTXQWKKYPHT-GDBMZVCRSA-N 1 3 320.437 0.876 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000417715534 262258968 /nfs/dbraw/zinc/25/89/68/262258968.db2.gz SVGQORFJSNNLKX-CABCVRRESA-N 1 3 312.458 0.914 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000417715535 262259022 /nfs/dbraw/zinc/25/90/22/262259022.db2.gz SVGQORFJSNNLKX-GJZGRUSLSA-N 1 3 312.458 0.914 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCCN1C ZINC000418005687 262267871 /nfs/dbraw/zinc/26/78/71/262267871.db2.gz PLTDFUYCCSUXGF-ILXRZTDVSA-N 1 3 324.469 0.866 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078192 262269224 /nfs/dbraw/zinc/26/92/24/262269224.db2.gz VJCNQBYEXOBXRX-GOEBONIOSA-N 1 3 320.437 0.924 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418114145 262270957 /nfs/dbraw/zinc/27/09/57/262270957.db2.gz LDELPDQPVPMHGP-LSDHHAIUSA-N 1 3 312.458 0.786 20 0 DCADHO CN1CCC(Oc2ccc(CNC(=O)NCC[NH3+])cc2)CC1 ZINC000418169991 262271729 /nfs/dbraw/zinc/27/17/29/262271729.db2.gz NWSZYJXGGPEFAD-UHFFFAOYSA-N 1 3 306.410 0.918 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418361507 262275550 /nfs/dbraw/zinc/27/55/50/262275550.db2.gz CLTFHJYIGGQQKZ-ZIAGYGMSSA-N 1 3 300.447 0.234 20 0 DCADHO COCC[NH2+]CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000418500441 262279487 /nfs/dbraw/zinc/27/94/87/262279487.db2.gz POQWFIWJQSAODW-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418525988 262281467 /nfs/dbraw/zinc/28/14/67/262281467.db2.gz YWJCSLZLMZFZRA-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418573398 262282516 /nfs/dbraw/zinc/28/25/16/262282516.db2.gz LGVJZNVXWKZKLR-ZNMIVQPWSA-N 1 3 312.458 0.376 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418588585 262283472 /nfs/dbraw/zinc/28/34/72/262283472.db2.gz HYXOOJFAQFRPEA-KFWWJZLASA-N 1 3 312.458 0.376 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418606394 262283936 /nfs/dbraw/zinc/28/39/36/262283936.db2.gz VQHVJAMHTLJFFL-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418932844 262299750 /nfs/dbraw/zinc/29/97/50/262299750.db2.gz HXOOKVDJGUUOSO-BBRMVZONSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000419083306 262307768 /nfs/dbraw/zinc/30/77/68/262307768.db2.gz WECPVVBBNXPLBR-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419095717 262308723 /nfs/dbraw/zinc/30/87/23/262308723.db2.gz BKJAPQXZFKAEMS-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419097665 262309564 /nfs/dbraw/zinc/30/95/64/262309564.db2.gz FNANFSAGQSETHB-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)CC1 ZINC000419119364 262310279 /nfs/dbraw/zinc/31/02/79/262310279.db2.gz JPAZNRBSNSUNOW-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H](C)CN)CC(C)C ZINC000419128106 262311446 /nfs/dbraw/zinc/31/14/46/262311446.db2.gz VCPNIWJRHNCXAI-CHWSQXEVSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419130612 262311993 /nfs/dbraw/zinc/31/19/93/262311993.db2.gz BFSVUPXJHWATLW-CQSZACIVSA-N 1 3 320.437 0.430 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419168124 262315956 /nfs/dbraw/zinc/31/59/56/262315956.db2.gz KDTUCGOVOFJWMR-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419175792 262317218 /nfs/dbraw/zinc/31/72/18/262317218.db2.gz YENGCENGIUWJTE-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000419405036 262330573 /nfs/dbraw/zinc/33/05/73/262330573.db2.gz HASLCOROVKHQIU-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000419405977 262330805 /nfs/dbraw/zinc/33/08/05/262330805.db2.gz IHPDOIAPOKXSIU-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000419409687 262331451 /nfs/dbraw/zinc/33/14/51/262331451.db2.gz NPEVPBBZWUXNOQ-IYXRBSQSSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000419419606 262332305 /nfs/dbraw/zinc/33/23/05/262332305.db2.gz ZHCSPSGIUOUCEG-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CC[NH3+])C(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419425879 262333447 /nfs/dbraw/zinc/33/34/47/262333447.db2.gz QCEHGAANDSCQGD-HNNXBMFYSA-N 1 3 318.421 0.357 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419427598 262333470 /nfs/dbraw/zinc/33/34/70/262333470.db2.gz RWGPKMPVSJUQDN-DZGCQCFKSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419480915 262334054 /nfs/dbraw/zinc/33/40/54/262334054.db2.gz NYVFRFYPDUTNEI-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419480915 262334056 /nfs/dbraw/zinc/33/40/56/262334056.db2.gz NYVFRFYPDUTNEI-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)N(C)C1CC1 ZINC000419587617 262338953 /nfs/dbraw/zinc/33/89/53/262338953.db2.gz NQFSAIXUDYBFKZ-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419696892 262346988 /nfs/dbraw/zinc/34/69/88/262346988.db2.gz PPZULNWHKCYHHS-KBPBESRZSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419699037 262347508 /nfs/dbraw/zinc/34/75/08/262347508.db2.gz QOOHTVHRGSQTHZ-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CC1(N(C)C)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000419873648 262350812 /nfs/dbraw/zinc/35/08/12/262350812.db2.gz DIOYEKQHMIVWSG-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000419913568 262352446 /nfs/dbraw/zinc/35/24/46/262352446.db2.gz ZSEDFIYIKYFHMT-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419981082 262355583 /nfs/dbraw/zinc/35/55/83/262355583.db2.gz RQKRRECAQLXRLG-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420061888 262358479 /nfs/dbraw/zinc/35/84/79/262358479.db2.gz BJZXZORIFTUZGA-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000420079337 262359562 /nfs/dbraw/zinc/35/95/62/262359562.db2.gz HLNPAHXIIWTYPQ-UHFFFAOYSA-N 1 3 314.474 0.666 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH3+])o1 ZINC000420079673 262360066 /nfs/dbraw/zinc/36/00/66/262360066.db2.gz QIHXQRIZLZGCRH-UHFFFAOYSA-N 1 3 324.425 0.332 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000420134818 262362279 /nfs/dbraw/zinc/36/22/79/262362279.db2.gz GEWHUIOXGZDIGH-ZIAGYGMSSA-N 1 3 322.453 0.259 20 0 DCADHO C[NH2+][C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000420268318 262368555 /nfs/dbraw/zinc/36/85/55/262368555.db2.gz GPDSBJUZXKIAGF-HOTGVXAUSA-N 1 3 304.438 0.699 20 0 DCADHO C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC000420284925 262368935 /nfs/dbraw/zinc/36/89/35/262368935.db2.gz DENZGUFZFJMMSB-GDBMZVCRSA-N 1 3 304.438 0.699 20 0 DCADHO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H](O)CN ZINC000420351076 262370477 /nfs/dbraw/zinc/37/04/77/262370477.db2.gz IYNARDVDPNOQBV-HOCLYGCPSA-N 1 3 305.422 0.822 20 0 DCADHO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H](O)CN ZINC000420351076 262370478 /nfs/dbraw/zinc/37/04/78/262370478.db2.gz IYNARDVDPNOQBV-HOCLYGCPSA-N 1 3 305.422 0.822 20 0 DCADHO O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCNCC1 ZINC000420369863 262371651 /nfs/dbraw/zinc/37/16/51/262371651.db2.gz JDFDFJIDFDJFLC-NVXWUHKLSA-N 1 3 320.481 0.757 20 0 DCADHO O=C(CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCNCC1 ZINC000420369863 262371653 /nfs/dbraw/zinc/37/16/53/262371653.db2.gz JDFDFJIDFDJFLC-NVXWUHKLSA-N 1 3 320.481 0.757 20 0 DCADHO CN(CCOCC[NH3+])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000420369279 262371768 /nfs/dbraw/zinc/37/17/68/262371768.db2.gz IQKJVRTVWMXAOA-STQMWFEESA-N 1 3 316.446 0.963 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422118315 262397089 /nfs/dbraw/zinc/39/70/89/262397089.db2.gz MTVRSRDTBWTISS-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000422119027 262397626 /nfs/dbraw/zinc/39/76/26/262397626.db2.gz NVUAYHAKNIUULU-ILXRZTDVSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000422119027 262397628 /nfs/dbraw/zinc/39/76/28/262397628.db2.gz NVUAYHAKNIUULU-ILXRZTDVSA-N 1 3 322.453 0.234 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000423066572 262428699 /nfs/dbraw/zinc/42/86/99/262428699.db2.gz XERFIFUCFJLSOR-UHFFFAOYSA-N 1 3 300.447 0.101 20 0 DCADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCOCCN(C)C ZINC000355355405 271005186 /nfs/dbraw/zinc/00/51/86/271005186.db2.gz SQIJYYIQDGZUKW-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000355445270 271009130 /nfs/dbraw/zinc/00/91/30/271009130.db2.gz INZUPWUFPPYPPG-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[NH2+]C1CC1 ZINC000418283612 271240635 /nfs/dbraw/zinc/24/06/35/271240635.db2.gz AEMBEDOFVMYZTB-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000418845050 271258072 /nfs/dbraw/zinc/25/80/72/271258072.db2.gz UPTVHTFJNUFDCL-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO NCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000419062860 271272291 /nfs/dbraw/zinc/27/22/91/271272291.db2.gz ATTZWESJBADGPM-UHFFFAOYSA-N 1 3 318.421 0.090 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000419247185 271277792 /nfs/dbraw/zinc/27/77/92/271277792.db2.gz WWBTVGHRIRDHRH-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000419246420 271278452 /nfs/dbraw/zinc/27/84/52/271278452.db2.gz WHKNNTTVWGROTD-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)[C@H]1C[NH3+] ZINC000419249071 271279382 /nfs/dbraw/zinc/27/93/82/271279382.db2.gz YVIKZBZCZDKUKQ-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419523019 271298711 /nfs/dbraw/zinc/29/87/11/271298711.db2.gz NSDCOUIBXJWTPX-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@H]1CN)C[NH+]1CCCC1 ZINC000419670582 271320996 /nfs/dbraw/zinc/32/09/96/271320996.db2.gz XAQHWSVVTIXMEI-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N1CCCC[C@H]1CN)[NH+]1CCCCC1 ZINC000419706601 271323524 /nfs/dbraw/zinc/32/35/24/271323524.db2.gz CSOXDOAZCSJODS-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419906813 271343545 /nfs/dbraw/zinc/34/35/45/271343545.db2.gz DCOKJMZWPIVNAR-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N1C[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000419937170 271345765 /nfs/dbraw/zinc/34/57/65/271345765.db2.gz MLQZRTKSAKCPHW-MJBXVCDLSA-N 1 3 310.442 0.090 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419941625 271346832 /nfs/dbraw/zinc/34/68/32/271346832.db2.gz XIFBVCQXIFGVMK-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420008711 271350000 /nfs/dbraw/zinc/35/00/00/271350000.db2.gz BWNFXRYJYKPYDW-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420015034 271351008 /nfs/dbraw/zinc/35/10/08/271351008.db2.gz KUARVXGYOTWWPB-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000420012893 271351389 /nfs/dbraw/zinc/35/13/89/271351389.db2.gz KATLALKRSWXHTO-GFCCVEGCSA-N 1 3 324.400 0.179 20 0 DCADHO COCCNCC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000424046501 271395333 /nfs/dbraw/zinc/39/53/33/271395333.db2.gz RWJRVGMYMQRVIF-CABCVRRESA-N 1 3 309.385 0.705 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424126375 271398223 /nfs/dbraw/zinc/39/82/23/271398223.db2.gz BLNXMVWHUPIIDN-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO CCN(CCNC(=O)/C=C/C[NH+](C)C)C(=O)/C=C\CN(C)C ZINC000492669280 272140942 /nfs/dbraw/zinc/14/09/42/272140942.db2.gz LAZAUZDHYJGWRP-ZWOQCJTASA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)/C=C/CN(C)C)C(=O)/C=C\C[NH+](C)C ZINC000492669280 272140944 /nfs/dbraw/zinc/14/09/44/272140944.db2.gz LAZAUZDHYJGWRP-ZWOQCJTASA-N 1 3 310.442 0.187 20 0 DCADHO CN1CC=C(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000496127851 272294765 /nfs/dbraw/zinc/29/47/65/272294765.db2.gz XDHYLUODEUYSQV-UHFFFAOYSA-N 1 3 311.430 0.887 20 0 DCADHO COC(=O)N1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000496810750 272346012 /nfs/dbraw/zinc/34/60/12/272346012.db2.gz NLOXJLNRIQAYRC-UHFFFAOYSA-N 1 3 322.413 0.592 20 0 DCADHO CC(C)N1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000514732481 272405908 /nfs/dbraw/zinc/40/59/08/272405908.db2.gz KAGIZDHAXBORMQ-AWEZNQCLSA-N 1 3 320.441 0.586 20 0 DCADHO CC[C@H]1C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000541788404 287926171 /nfs/dbraw/zinc/92/61/71/287926171.db2.gz XHIFQRXFLODOQJ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343902572 277573712 /nfs/dbraw/zinc/57/37/12/277573712.db2.gz CAUWWRVCEGBHIS-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000419972966 279134466 /nfs/dbraw/zinc/13/44/66/279134466.db2.gz FOLPQMJIJDPZTI-CQSZACIVSA-N 1 3 312.458 0.465 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348020108 279307990 /nfs/dbraw/zinc/30/79/90/279307990.db2.gz QOFSDGDYRZOWGV-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348020108 279307993 /nfs/dbraw/zinc/30/79/93/279307993.db2.gz QOFSDGDYRZOWGV-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000340119217 279360314 /nfs/dbraw/zinc/36/03/14/279360314.db2.gz IKRTUTABUPMYDW-PMPSAXMXSA-N 1 3 310.486 0.894 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000346529077 288125631 /nfs/dbraw/zinc/12/56/31/288125631.db2.gz MCFJTUFTHYFJQW-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800132 279428660 /nfs/dbraw/zinc/42/86/60/279428660.db2.gz GVTMZKDWMXHGKC-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000349048566 288158994 /nfs/dbraw/zinc/15/89/94/288158994.db2.gz HXJRXJUFMROHCM-OKILXGFUSA-N 1 3 313.442 0.371 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000262052849 279790072 /nfs/dbraw/zinc/79/00/72/279790072.db2.gz RAWIFDDFNSQMBA-RYUDHWBXSA-N 1 3 324.391 0.525 20 0 DCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000554491466 288323296 /nfs/dbraw/zinc/32/32/96/288323296.db2.gz DTCJUMCHDXXUHL-HOCLYGCPSA-N 1 3 308.470 0.565 20 0 DCADHO CC1CCN(CCNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000333945848 281816805 /nfs/dbraw/zinc/81/68/05/281816805.db2.gz UBLJXUVQVQBRIQ-MRXNPFEDSA-N 1 3 323.485 0.407 20 0 DCADHO C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(=O)NCC[NH+](C)C ZINC000556904225 288402959 /nfs/dbraw/zinc/40/29/59/288402959.db2.gz UAMSBQGDZQQCRL-MQYQWHSLSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563611571 288691082 /nfs/dbraw/zinc/69/10/82/288691082.db2.gz YNDQWRCBJGDGJP-UHFFFAOYSA-N 1 3 312.458 0.148 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CCOC3(CNC3)C2)CCCCC1 ZINC000333869878 289048139 /nfs/dbraw/zinc/04/81/39/289048139.db2.gz BOFKHDJORPWJNA-UHFFFAOYSA-N 1 3 310.442 0.635 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)C[C@@H]2CSCCN2)CC1 ZINC000237082929 289067744 /nfs/dbraw/zinc/06/77/44/289067744.db2.gz ZKWBTLNRGCXMMT-CYBMUJFWSA-N 1 3 314.499 0.224 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC2CCC([NH+](C)C)CC2)CC1=O ZINC000422008255 289157449 /nfs/dbraw/zinc/15/74/49/289157449.db2.gz PGRKSUSHPBPOMA-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423130332 289253180 /nfs/dbraw/zinc/25/31/80/289253180.db2.gz RUVORXXEVJUVHJ-BFHYXJOUSA-N 1 3 318.487 0.364 20 0 DCADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000333839657 290178187 /nfs/dbraw/zinc/17/81/87/290178187.db2.gz OBGWHAJFWCYBFR-RBSFLKMASA-N 1 3 310.442 0.491 20 0 DCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000089145788 295267374 /nfs/dbraw/zinc/26/73/74/295267374.db2.gz WUXGAYQKKXNXRO-HIFRSBDPSA-N 1 3 311.451 0.984 20 0 DCADHO C[C@H]1C[N@H+](CCN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000343921952 300259893 /nfs/dbraw/zinc/25/98/93/300259893.db2.gz JMSMFLAIQMNUPA-IRXDYDNUSA-N 1 3 310.486 0.276 20 0 DCADHO C[C@H]1C[N@@H+](CCN2CCOCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000343921952 300259895 /nfs/dbraw/zinc/25/98/95/300259895.db2.gz JMSMFLAIQMNUPA-IRXDYDNUSA-N 1 3 310.486 0.276 20 0 DCADHO C[C@H]1CN(CCN2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343921952 300259899 /nfs/dbraw/zinc/25/98/99/300259899.db2.gz JMSMFLAIQMNUPA-IRXDYDNUSA-N 1 3 310.486 0.276 20 0 DCADHO Cn1nccc1[C@H]1[C@H](NC2CC[NH+](C)CC2)CCC(=O)N1C ZINC000345002538 303097547 /nfs/dbraw/zinc/09/75/47/303097547.db2.gz VKRMDAVIXVWPRM-CZUORRHYSA-N 1 3 305.426 0.766 20 0 DCADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000352524571 303385826 /nfs/dbraw/zinc/38/58/26/303385826.db2.gz CFOOHZFPHHSJBL-JTQLQIEISA-N 1 3 324.347 0.968 20 0 DCADHO NC[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000420068759 303391960 /nfs/dbraw/zinc/39/19/60/303391960.db2.gz VCUHQJUJNIOHNX-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO NC[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000570715647 332805681 /nfs/dbraw/zinc/80/56/81/332805681.db2.gz LPPACMGCRHKXBV-CVEARBPZSA-N 1 3 302.422 0.235 20 0 DCADHO C[C@@H](NC1CC1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000584170475 331852025 /nfs/dbraw/zinc/85/20/25/331852025.db2.gz SLMCSLXIDMXZGB-CYBMUJFWSA-N 1 3 308.470 0.802 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584460078 337344098 /nfs/dbraw/zinc/34/40/98/337344098.db2.gz ZIBMANXOZAYMPF-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584460078 337344099 /nfs/dbraw/zinc/34/40/99/337344099.db2.gz ZIBMANXOZAYMPF-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000576041474 341822129 /nfs/dbraw/zinc/82/21/29/341822129.db2.gz GIJQUDWKPYLHEL-GUTXKFCHSA-N 1 3 310.442 0.077 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365003974 521007252 /nfs/dbraw/zinc/00/72/52/521007252.db2.gz XZDAMVNMMFAHCV-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000237409542 524824741 /nfs/dbraw/zinc/82/47/41/524824741.db2.gz OWWBMBWPUUPBHZ-ZDUSSCGKSA-N 1 3 306.410 0.599 20 0 DCADHO CCCN(C(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000332612008 527721650 /nfs/dbraw/zinc/72/16/50/527721650.db2.gz RHYAENNBKLPFIX-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000331970255 529006672 /nfs/dbraw/zinc/00/66/72/529006672.db2.gz LIPFFNWYYGXDIG-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)CN)[NH+]1CCCC1 ZINC000420019107 535103073 /nfs/dbraw/zinc/10/30/73/535103073.db2.gz QTDRAOGZQIYQBW-GXTWGEPZSA-N 1 3 312.458 0.467 20 0 DCADHO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(CN)o2)CC1 ZINC000237157239 545954788 /nfs/dbraw/zinc/95/47/88/545954788.db2.gz GXKLJLJQSDHFNN-UHFFFAOYSA-N 1 3 308.426 0.742 20 0 DCADHO C[NH+](C)CCN1CCC(CNC(=O)c2ccc(CN)o2)CC1 ZINC000237157239 545954792 /nfs/dbraw/zinc/95/47/92/545954792.db2.gz GXKLJLJQSDHFNN-UHFFFAOYSA-N 1 3 308.426 0.742 20 0 DCADHO CN(C)C1(CNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000333472907 546082511 /nfs/dbraw/zinc/08/25/11/546082511.db2.gz AOGUOKSBUIZLDH-AWEZNQCLSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H]1C ZINC000333835995 546093733 /nfs/dbraw/zinc/09/37/33/546093733.db2.gz UGZFMWQAVSRGRI-KGLIPLIRSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C ZINC000333835995 546093740 /nfs/dbraw/zinc/09/37/40/546093740.db2.gz UGZFMWQAVSRGRI-KGLIPLIRSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@H](CC(=O)N(C)C)NCc1ccncc1OCC[NH+](C)C ZINC000343969130 546137129 /nfs/dbraw/zinc/13/71/29/546137129.db2.gz BQDDFNMBXXDEOV-CYBMUJFWSA-N 1 3 308.426 0.978 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)cc2)[nH]1 ZINC000373885669 546211857 /nfs/dbraw/zinc/21/18/57/546211857.db2.gz MLGOFNHWITZPSI-BLLLJJGKSA-N 1 3 312.377 0.869 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC2(N(C)C)CCC2)C[C@H](C)O1 ZINC000445872651 546257141 /nfs/dbraw/zinc/25/71/41/546257141.db2.gz XOYUYUADBLZJGJ-XHSDSOJGSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC2(N(C)C)CCC2)C[C@H](C)O1 ZINC000445872651 546257145 /nfs/dbraw/zinc/25/71/45/546257145.db2.gz XOYUYUADBLZJGJ-XHSDSOJGSA-N 1 3 313.486 0.873 20 0 DCADHO O=C(CN1CC[NH2+]CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000638069958 546337036 /nfs/dbraw/zinc/33/70/36/546337036.db2.gz NXIVWQWVHUWPGC-KRWDZBQOSA-N 1 3 316.449 0.845 20 0 DCADHO O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662251577 546370735 /nfs/dbraw/zinc/37/07/35/546370735.db2.gz HAFCGCAZEVRKKE-HUUCEWRRSA-N 1 3 307.438 0.746 20 0 DCADHO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662251577 546370737 /nfs/dbraw/zinc/37/07/37/546370737.db2.gz HAFCGCAZEVRKKE-HUUCEWRRSA-N 1 3 307.438 0.746 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(CO)CCC1 ZINC000665760321 546394625 /nfs/dbraw/zinc/39/46/25/546394625.db2.gz GFEGNQTYGVJWQE-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(CO)CCC1 ZINC000665760321 546394627 /nfs/dbraw/zinc/39/46/27/546394627.db2.gz GFEGNQTYGVJWQE-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO CCO[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000666132837 546430464 /nfs/dbraw/zinc/43/04/64/546430464.db2.gz KPMTXGDHSZBENJ-HDJSIYSDSA-N 1 3 300.447 0.689 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666863175 546520796 /nfs/dbraw/zinc/52/07/96/546520796.db2.gz BZQCFROLUSLLAN-CQSZACIVSA-N 1 3 304.394 0.636 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000666928091 546532328 /nfs/dbraw/zinc/53/23/28/546532328.db2.gz FAQFQZDUWOTXIN-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000666928091 546532334 /nfs/dbraw/zinc/53/23/34/546532334.db2.gz FAQFQZDUWOTXIN-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666971625 546536125 /nfs/dbraw/zinc/53/61/25/546536125.db2.gz BKUXYFXGCIDFCP-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO COc1nnccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667107703 546556469 /nfs/dbraw/zinc/55/64/69/546556469.db2.gz AXIIRCFUSZKAPV-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO COc1nnccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667107703 546556472 /nfs/dbraw/zinc/55/64/72/546556472.db2.gz AXIIRCFUSZKAPV-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO CN(C)CCn1cc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)cn1 ZINC000667156338 546563483 /nfs/dbraw/zinc/56/34/83/546563483.db2.gz FGMMFPXBIVFTGY-OAHLLOKOSA-N 1 3 308.430 0.956 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000667612496 546628374 /nfs/dbraw/zinc/62/83/74/546628374.db2.gz HVGRLXOHKSLJTP-UHFFFAOYSA-N 1 3 320.393 0.126 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000668327454 546729706 /nfs/dbraw/zinc/72/97/06/546729706.db2.gz AMFFXBMAFDFRPO-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC1CC[NH+](CCCNC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000668806366 546850519 /nfs/dbraw/zinc/85/05/19/546850519.db2.gz PHATVUPEJNSWLX-HNNXBMFYSA-N 1 3 311.474 0.393 20 0 DCADHO NC1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc2ccccc2C1 ZINC000669520767 546984824 /nfs/dbraw/zinc/98/48/24/546984824.db2.gz MGENALWPSQXPNV-LLVKDONJSA-N 1 3 301.312 0.879 20 0 DCADHO COC[C@]1(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CCC[NH2+]1 ZINC000669555716 546991038 /nfs/dbraw/zinc/99/10/38/546991038.db2.gz BOXAAQVRWCQTJB-CZUORRHYSA-N 1 3 310.442 0.705 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCCO1 ZINC000669570948 546992942 /nfs/dbraw/zinc/99/29/42/546992942.db2.gz YAJCONHWRLWMKD-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCO1 ZINC000669573486 546993756 /nfs/dbraw/zinc/99/37/56/546993756.db2.gz VVMXWPOJDGANIY-MELADBBJSA-N 1 3 312.458 0.864 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000672594069 547383541 /nfs/dbraw/zinc/38/35/41/547383541.db2.gz LICNJTUTTDQIPT-RRFJBIMHSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000672694594 547393643 /nfs/dbraw/zinc/39/36/43/547393643.db2.gz YLQQKQIMQVBWNX-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000673973787 547549714 /nfs/dbraw/zinc/54/97/14/547549714.db2.gz BDXFPMXHVILESF-TZMCWYRMSA-N 1 3 300.472 0.817 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000675120638 547663468 /nfs/dbraw/zinc/66/34/68/547663468.db2.gz KTRDILGHEXAHFY-BBRMVZONSA-N 1 3 324.469 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000675120638 547663470 /nfs/dbraw/zinc/66/34/70/547663470.db2.gz KTRDILGHEXAHFY-BBRMVZONSA-N 1 3 324.469 0.879 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN(C)CCOC ZINC000675186805 547667052 /nfs/dbraw/zinc/66/70/52/547667052.db2.gz WUWUDNJFJAJNMC-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCCN1CCC([NH2+][C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000675887196 547718439 /nfs/dbraw/zinc/71/84/39/547718439.db2.gz ZHBZMVFLXAPFTE-SFHVURJKSA-N 1 3 324.513 0.857 20 0 DCADHO CCC[NH+]1CCC(N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000675887196 547718441 /nfs/dbraw/zinc/71/84/41/547718441.db2.gz ZHBZMVFLXAPFTE-SFHVURJKSA-N 1 3 324.513 0.857 20 0 DCADHO CCN(CC[NH2+]C[C@H](O)CC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001668566841 1174808727 /nfs/dbraw/zinc/80/87/27/1174808727.db2.gz QKQILXHUXJVPDD-LLVKDONJSA-N 1 3 322.331 0.704 20 0 DCADHO C[NH+]1CCC(O)(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821623282 606221907 /nfs/dbraw/zinc/22/19/07/606221907.db2.gz IEKLYWIFZOXREC-UHFFFAOYSA-N 1 3 308.411 0.475 20 0 DCADHO C[C@@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001675916194 1175402788 /nfs/dbraw/zinc/40/27/88/1175402788.db2.gz TZVBARMHAOUTQC-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO COC[C@@H](C)N1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981169119 661090212 /nfs/dbraw/zinc/09/02/12/661090212.db2.gz OURASHWIZHLJRK-ZBFHGGJFSA-N 1 3 309.454 0.897 20 0 DCADHO CN1CC[C@@H]([NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000998269243 665426901 /nfs/dbraw/zinc/42/69/01/665426901.db2.gz KIPNBVWJHSWFJM-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO Cn1nncc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998269967 665427243 /nfs/dbraw/zinc/42/72/43/665427243.db2.gz SJPNXZJBPPTORY-UHFFFAOYSA-N 1 3 320.441 0.239 20 0 DCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCN(C2CC2)C1 ZINC000891558819 657481492 /nfs/dbraw/zinc/48/14/92/657481492.db2.gz AOCYECUYWBEFCG-DZGCQCFKSA-N 1 3 322.453 0.681 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001023086539 657489274 /nfs/dbraw/zinc/48/92/74/657489274.db2.gz OOKNQQTYZJZBHI-RFQIPJPRSA-N 1 3 303.410 0.726 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001023086539 657489279 /nfs/dbraw/zinc/48/92/79/657489279.db2.gz OOKNQQTYZJZBHI-RFQIPJPRSA-N 1 3 303.410 0.726 20 0 DCADHO COCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041677273 657495695 /nfs/dbraw/zinc/49/56/95/657495695.db2.gz ADGUQILUBDSHKO-DOTOQJQBSA-N 1 3 309.454 0.899 20 0 DCADHO COCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041677273 657495699 /nfs/dbraw/zinc/49/56/99/657495699.db2.gz ADGUQILUBDSHKO-DOTOQJQBSA-N 1 3 309.454 0.899 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000970713494 657817943 /nfs/dbraw/zinc/81/79/43/657817943.db2.gz YZICLSDKZGTWRW-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCCC3)C2)C1 ZINC000970713494 657817954 /nfs/dbraw/zinc/81/79/54/657817954.db2.gz YZICLSDKZGTWRW-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500163 657935442 /nfs/dbraw/zinc/93/54/42/657935442.db2.gz QCHBLWRATBJGFZ-HCEZTOJASA-N 1 3 307.438 0.698 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500163 657935445 /nfs/dbraw/zinc/93/54/45/657935445.db2.gz QCHBLWRATBJGFZ-HCEZTOJASA-N 1 3 307.438 0.698 20 0 DCADHO C[C@@H]1CCC[C@](CN2C(=O)N[C@H](CN(C)C)C2=O)([NH+](C)C)C1 ZINC000924507964 658138076 /nfs/dbraw/zinc/13/80/76/658138076.db2.gz AMRAHAMRXBEQOM-IOASZLSFSA-N 1 3 310.442 0.979 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020590458 658165787 /nfs/dbraw/zinc/16/57/87/658165787.db2.gz XCEVYCCQWJTJJO-QZKOUSHUSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020590458 658165793 /nfs/dbraw/zinc/16/57/93/658165793.db2.gz XCEVYCCQWJTJJO-QZKOUSHUSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020590456 658166235 /nfs/dbraw/zinc/16/62/35/658166235.db2.gz XCEVYCCQWJTJJO-HJPIBITLSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020590456 658166240 /nfs/dbraw/zinc/16/62/40/658166240.db2.gz XCEVYCCQWJTJJO-HJPIBITLSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC001020592272 658170437 /nfs/dbraw/zinc/17/04/37/658170437.db2.gz AIXXZYZNSHQHCL-VCOSZWKGSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001020592272 658170440 /nfs/dbraw/zinc/17/04/40/658170440.db2.gz AIXXZYZNSHQHCL-VCOSZWKGSA-N 1 3 317.437 0.720 20 0 DCADHO CN1CCN(CC[NH2+][C@H]2CCOC23CCOCC3)CC1(C)C ZINC000926356822 658207821 /nfs/dbraw/zinc/20/78/21/658207821.db2.gz KMOJNDHFSYURIB-HNNXBMFYSA-N 1 3 311.470 0.940 20 0 DCADHO [NH3+][C@@H](CCNC(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000892181432 658273254 /nfs/dbraw/zinc/27/32/54/658273254.db2.gz SJCAMTCQNMZMKA-GJZGRUSLSA-N 1 3 306.410 0.234 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000892183786 658278268 /nfs/dbraw/zinc/27/82/68/658278268.db2.gz KWDSLLOZBSRKFH-ZIAGYGMSSA-N 1 3 310.442 0.586 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000969956058 658295216 /nfs/dbraw/zinc/29/52/16/658295216.db2.gz VAYAORNBKUVOSM-CZUORRHYSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000969956058 658295223 /nfs/dbraw/zinc/29/52/23/658295223.db2.gz VAYAORNBKUVOSM-CZUORRHYSA-N 1 3 317.437 0.817 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC000970026830 658376094 /nfs/dbraw/zinc/37/60/94/658376094.db2.gz JDGFCZMXEWCCPL-GOEBONIOSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC000970026830 658376100 /nfs/dbraw/zinc/37/61/00/658376100.db2.gz JDGFCZMXEWCCPL-GOEBONIOSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022721662 658387354 /nfs/dbraw/zinc/38/73/54/658387354.db2.gz YHIHIZHVDRTKDQ-REBRKWNGSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022721662 658387366 /nfs/dbraw/zinc/38/73/66/658387366.db2.gz YHIHIZHVDRTKDQ-REBRKWNGSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC000970103293 658463035 /nfs/dbraw/zinc/46/30/35/658463035.db2.gz LALRZUSVLITLOW-CYBMUJFWSA-N 1 3 317.397 0.051 20 0 DCADHO CC1(C)CO[C@@H](C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000970103365 658467124 /nfs/dbraw/zinc/46/71/24/658467124.db2.gz MSIOHOQDOFQLTD-TZMCWYRMSA-N 1 3 306.410 0.958 20 0 DCADHO CN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178668 658508355 /nfs/dbraw/zinc/50/83/55/658508355.db2.gz CDOJKECZTSYZSP-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001024180320 658510398 /nfs/dbraw/zinc/51/03/98/658510398.db2.gz VKPOXNFNHYBYCR-TZMCWYRMSA-N 1 3 319.409 0.059 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC000972330030 658573322 /nfs/dbraw/zinc/57/33/22/658573322.db2.gz CYUJEZYMLMWCGE-CVEARBPZSA-N 1 3 319.453 0.900 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC000972330030 658573327 /nfs/dbraw/zinc/57/33/27/658573327.db2.gz CYUJEZYMLMWCGE-CVEARBPZSA-N 1 3 319.453 0.900 20 0 DCADHO CC(C)[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970171251 658689844 /nfs/dbraw/zinc/68/98/44/658689844.db2.gz XOGVJMMILGQZKZ-RXAYYZCOSA-N 1 3 307.438 0.695 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC000970178103 658699959 /nfs/dbraw/zinc/69/99/59/658699959.db2.gz LCYPOGOKJDRUAR-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC000970178646 658701607 /nfs/dbraw/zinc/70/16/07/658701607.db2.gz VXUMYLOLOIGMDT-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001022119370 658875636 /nfs/dbraw/zinc/87/56/36/658875636.db2.gz FEKKFYLNWPLYPM-XUWVNRHRSA-N 1 3 307.438 0.887 20 0 DCADHO CN(C)CC1(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)CCCC1 ZINC000926171083 658887201 /nfs/dbraw/zinc/88/72/01/658887201.db2.gz OMDUQIOCSJSTHW-CQSZACIVSA-N 1 3 309.454 0.993 20 0 DCADHO CCC1([NH3+])CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000891514385 658902521 /nfs/dbraw/zinc/90/25/21/658902521.db2.gz QCLMCJYPAQUQAC-ZIAGYGMSSA-N 1 3 310.442 0.763 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@]23CCOC3)C1 ZINC001023024947 658920026 /nfs/dbraw/zinc/92/00/26/658920026.db2.gz NQZUCXXUDWSHDD-SZOQZIPDSA-N 1 3 318.421 0.924 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)CCC1 ZINC000999347851 665633590 /nfs/dbraw/zinc/63/35/90/665633590.db2.gz LSKFOLOZGYVJPQ-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999351114 665634064 /nfs/dbraw/zinc/63/40/64/665634064.db2.gz CQRRJTKDAMDNQZ-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999351114 665634066 /nfs/dbraw/zinc/63/40/66/665634066.db2.gz CQRRJTKDAMDNQZ-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC000999363422 665636918 /nfs/dbraw/zinc/63/69/18/665636918.db2.gz HKANRXOSTOCKQO-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC000999363060 665636955 /nfs/dbraw/zinc/63/69/55/665636955.db2.gz FLWNAGFMDAABJH-OAHLLOKOSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170849 659056711 /nfs/dbraw/zinc/05/67/11/659056711.db2.gz PLJKWXSZQWUQCW-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170849 659056713 /nfs/dbraw/zinc/05/67/13/659056713.db2.gz PLJKWXSZQWUQCW-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)cn1 ZINC000939756365 665641010 /nfs/dbraw/zinc/64/10/10/665641010.db2.gz UFULPIZOPJUFGU-CZUORRHYSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000973104530 659103816 /nfs/dbraw/zinc/10/38/16/659103816.db2.gz KCIRNDXEUXJUOM-AJNGGQMLSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000973104530 659103819 /nfs/dbraw/zinc/10/38/19/659103819.db2.gz KCIRNDXEUXJUOM-AJNGGQMLSA-N 1 3 322.453 0.328 20 0 DCADHO CCO[C@H](CNC(=O)N1CCCN(CC)CC1)C[NH+](C)C ZINC000926838795 659410598 /nfs/dbraw/zinc/41/05/98/659410598.db2.gz UZUVBIWHENKODZ-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CC[N@H+](CCO)CCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892800277 659462349 /nfs/dbraw/zinc/46/23/49/659462349.db2.gz NOVCHRIJLZMVJX-INIZCTEOSA-N 1 3 320.437 0.314 20 0 DCADHO CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892800277 659462351 /nfs/dbraw/zinc/46/23/51/659462351.db2.gz NOVCHRIJLZMVJX-INIZCTEOSA-N 1 3 320.437 0.314 20 0 DCADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892819987 659469708 /nfs/dbraw/zinc/46/97/08/659469708.db2.gz UMNDXOHWZWRIFU-YJNKXOJESA-N 1 3 308.426 0.195 20 0 DCADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892819987 659469711 /nfs/dbraw/zinc/46/97/11/659469711.db2.gz UMNDXOHWZWRIFU-YJNKXOJESA-N 1 3 308.426 0.195 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC000892817822 659470666 /nfs/dbraw/zinc/47/06/66/659470666.db2.gz FWJQPUYGCCLDRW-XGUBFFRZSA-N 1 3 308.426 0.053 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC000892817822 659470668 /nfs/dbraw/zinc/47/06/68/659470668.db2.gz FWJQPUYGCCLDRW-XGUBFFRZSA-N 1 3 308.426 0.053 20 0 DCADHO COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)on1 ZINC001026732713 659488903 /nfs/dbraw/zinc/48/89/03/659488903.db2.gz FJELKWXCPNYCBJ-JSGCOSHPSA-N 1 3 322.409 0.716 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000892943800 659541456 /nfs/dbraw/zinc/54/14/56/659541456.db2.gz JTAOKYSGAKUHHL-ZNMIVQPWSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000892943800 659541461 /nfs/dbraw/zinc/54/14/61/659541461.db2.gz JTAOKYSGAKUHHL-ZNMIVQPWSA-N 1 3 310.442 0.443 20 0 DCADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799039 659565382 /nfs/dbraw/zinc/56/53/82/659565382.db2.gz QFJGDYYOVCBYCJ-FIDHJVLJSA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799039 659565386 /nfs/dbraw/zinc/56/53/86/659565386.db2.gz QFJGDYYOVCBYCJ-FIDHJVLJSA-N 1 3 319.449 0.862 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]C[C@H]2CCOC2)C1)C1CCC1 ZINC001026889261 659625364 /nfs/dbraw/zinc/62/53/64/659625364.db2.gz VBYLAJRFSYQQIA-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001026921521 659640669 /nfs/dbraw/zinc/64/06/69/659640669.db2.gz SVXAZFPKVZBJHF-GXTWGEPZSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000999850734 665691914 /nfs/dbraw/zinc/69/19/14/665691914.db2.gz GMPNDLTUZPRBDE-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000999850734 665691915 /nfs/dbraw/zinc/69/19/15/665691915.db2.gz GMPNDLTUZPRBDE-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1)N(C)C ZINC001027069512 659756230 /nfs/dbraw/zinc/75/62/30/659756230.db2.gz VLTMHTJWDOIEAC-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](NCc3cnnn3C)C2)C1 ZINC001000193500 665769585 /nfs/dbraw/zinc/76/95/85/665769585.db2.gz QMBCAZUXZNNIST-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NCc3cnnn3C)C2)C1 ZINC001000193500 665769586 /nfs/dbraw/zinc/76/95/86/665769586.db2.gz QMBCAZUXZNNIST-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC001000209874 665782334 /nfs/dbraw/zinc/78/23/34/665782334.db2.gz PQPCXFWKDPKLMD-CJNGLKHVSA-N 1 3 315.433 0.772 20 0 DCADHO CNC(=O)CN1CC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001028662079 661735981 /nfs/dbraw/zinc/73/59/81/661735981.db2.gz SKGMJEHZUFGIBS-LBPRGKRZSA-N 1 3 315.377 0.132 20 0 DCADHO CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001028662079 661735983 /nfs/dbraw/zinc/73/59/83/661735983.db2.gz SKGMJEHZUFGIBS-LBPRGKRZSA-N 1 3 315.377 0.132 20 0 DCADHO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001028662079 661735986 /nfs/dbraw/zinc/73/59/86/661735986.db2.gz SKGMJEHZUFGIBS-LBPRGKRZSA-N 1 3 315.377 0.132 20 0 DCADHO CN1CC[C@@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000928562435 662129507 /nfs/dbraw/zinc/12/95/07/662129507.db2.gz FRXOLJRQCMEOHD-QGZVFWFLSA-N 1 3 316.449 0.868 20 0 DCADHO CCO[C@@H](CNC(=O)N(C)[C@@H]1CCCN(C)C1)C[NH+](C)C ZINC000896681576 662304015 /nfs/dbraw/zinc/30/40/15/662304015.db2.gz FJSBBEDQQKCDHG-KGLIPLIRSA-N 1 3 300.447 0.689 20 0 DCADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896748993 662310352 /nfs/dbraw/zinc/31/03/52/662310352.db2.gz NLAWEUMPHSJUMK-BPUTZDHNSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896748993 662310353 /nfs/dbraw/zinc/31/03/53/662310353.db2.gz NLAWEUMPHSJUMK-BPUTZDHNSA-N 1 3 322.453 0.585 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985327739 662410786 /nfs/dbraw/zinc/41/07/86/662410786.db2.gz JVXAMLGFZTXBIC-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985327739 662410788 /nfs/dbraw/zinc/41/07/88/662410788.db2.gz JVXAMLGFZTXBIC-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358015 662583871 /nfs/dbraw/zinc/58/38/71/662583871.db2.gz VNEVCKPNXWBCDQ-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897521300 662803916 /nfs/dbraw/zinc/80/39/16/662803916.db2.gz ADGSKIGRQMLMGF-OAGGEKHMSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897521300 662803918 /nfs/dbraw/zinc/80/39/18/662803918.db2.gz ADGSKIGRQMLMGF-OAGGEKHMSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@H]1C[C@H](NCCF)CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000988854968 662868094 /nfs/dbraw/zinc/86/80/94/662868094.db2.gz MKIDCHBHDLYOTN-STQMWFEESA-N 1 3 311.405 0.607 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCn2cccn2)CN1C(=O)Cc1c[nH]cn1 ZINC000989491215 662953296 /nfs/dbraw/zinc/95/32/96/662953296.db2.gz DVTNXIYKZSIJQL-JSGCOSHPSA-N 1 3 302.382 0.428 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cncn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682722 662971421 /nfs/dbraw/zinc/97/14/21/662971421.db2.gz JOZXFIFJKVFOKE-ZIAGYGMSSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CCN1C ZINC000925326125 662987205 /nfs/dbraw/zinc/98/72/05/662987205.db2.gz UWZGXOQYWKGOCX-RBSFLKMASA-N 1 3 312.458 0.831 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2)N(C)C ZINC001040251398 663041898 /nfs/dbraw/zinc/04/18/98/663041898.db2.gz XQHWDTLEBKFNCI-DOTOQJQBSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2)N(C)C ZINC001040251398 663041899 /nfs/dbraw/zinc/04/18/99/663041899.db2.gz XQHWDTLEBKFNCI-DOTOQJQBSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001030020719 663084584 /nfs/dbraw/zinc/08/45/84/663084584.db2.gz OOWZTIQBDTZSFY-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001030020719 663084585 /nfs/dbraw/zinc/08/45/85/663084585.db2.gz OOWZTIQBDTZSFY-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CCO)CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000899738845 663185184 /nfs/dbraw/zinc/18/51/84/663185184.db2.gz NPQLZSRLTOETIU-CQSZACIVSA-N 1 3 315.483 0.244 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1ccsc1 ZINC000900135873 663218621 /nfs/dbraw/zinc/21/86/21/663218621.db2.gz CHLLVRPNJZWDOW-GZBFAFLISA-N 1 3 311.451 0.922 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccsc1 ZINC000900135873 663218622 /nfs/dbraw/zinc/21/86/22/663218622.db2.gz CHLLVRPNJZWDOW-GZBFAFLISA-N 1 3 311.451 0.922 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900575130 663256403 /nfs/dbraw/zinc/25/64/03/663256403.db2.gz RLBIVKHGSKMGMH-UHFFFAOYSA-N 1 3 322.453 0.095 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000921127 665962342 /nfs/dbraw/zinc/96/23/42/665962342.db2.gz XBJVAZRHOHRECC-GDBMZVCRSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000921127 665962343 /nfs/dbraw/zinc/96/23/43/665962343.db2.gz XBJVAZRHOHRECC-GDBMZVCRSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000926439 665964450 /nfs/dbraw/zinc/96/44/50/665964450.db2.gz JRZOKZBAZSNMOB-HZPDHXFCSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000926439 665964452 /nfs/dbraw/zinc/96/44/52/665964452.db2.gz JRZOKZBAZSNMOB-HZPDHXFCSA-N 1 3 317.437 0.817 20 0 DCADHO CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)OC ZINC000903499115 663456844 /nfs/dbraw/zinc/45/68/44/663456844.db2.gz GOSBODFQPCFTHT-JLNYLFASSA-N 1 3 313.442 0.607 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCCC[C@H]1C)C2 ZINC000903490986 663458040 /nfs/dbraw/zinc/45/80/40/663458040.db2.gz PXLQWKOLTXZMJZ-OEUWWYETSA-N 1 3 323.437 0.600 20 0 DCADHO OCC[C@@H]1CSCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732035 663476373 /nfs/dbraw/zinc/47/63/73/663476373.db2.gz BZAMQKRSHXQKON-ZIAGYGMSSA-N 1 3 300.468 0.945 20 0 DCADHO COC(=O)NC1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769514 663481244 /nfs/dbraw/zinc/48/12/44/663481244.db2.gz ICWVJIGMLLIISH-AWEZNQCLSA-N 1 3 311.426 0.966 20 0 DCADHO Nc1nc(C2CC2)nc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000903823792 663487350 /nfs/dbraw/zinc/48/73/50/663487350.db2.gz JVNRSBHHULIYHO-GFCCVEGCSA-N 1 3 317.441 0.453 20 0 DCADHO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCNCCC12CCOCC2 ZINC000903820115 663487418 /nfs/dbraw/zinc/48/74/18/663487418.db2.gz URLSTQUGRJFMGD-CABCVRRESA-N 1 3 316.442 0.243 20 0 DCADHO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCNCCC12CCOCC2 ZINC000903820115 663487420 /nfs/dbraw/zinc/48/74/20/663487420.db2.gz URLSTQUGRJFMGD-CABCVRRESA-N 1 3 316.442 0.243 20 0 DCADHO CC(C)[C@@H]1CN(C)CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903903557 663494016 /nfs/dbraw/zinc/49/40/16/663494016.db2.gz VOUKESBUPWITNB-ZBFHGGJFSA-N 1 3 306.458 0.975 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCOc3ccc(N)cc3C2)C1 ZINC000903944303 663497922 /nfs/dbraw/zinc/49/79/22/663497922.db2.gz HWBSEQQPMREMES-CYBMUJFWSA-N 1 3 318.421 0.661 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCOc3ccc(N)cc3C2)C1 ZINC000903944303 663497923 /nfs/dbraw/zinc/49/79/23/663497923.db2.gz HWBSEQQPMREMES-CYBMUJFWSA-N 1 3 318.421 0.661 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000904486648 663515272 /nfs/dbraw/zinc/51/52/72/663515272.db2.gz XAHSYONLKGIOFU-DOMZBBRYSA-N 1 3 306.414 0.790 20 0 DCADHO COCCC[NH+]1CCC(NC[C@H](O)C2(O)CCCC2)CC1 ZINC000905087023 663528870 /nfs/dbraw/zinc/52/88/70/663528870.db2.gz DEQQMAPKARNZLS-HNNXBMFYSA-N 1 3 300.443 0.743 20 0 DCADHO CC(C)CN1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905067441 663530256 /nfs/dbraw/zinc/53/02/56/663530256.db2.gz XVSKBWKKBFQMBF-JKSUJKDBSA-N 1 3 300.443 0.599 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000905356035 663548203 /nfs/dbraw/zinc/54/82/03/663548203.db2.gz JYKVCIWGTHZEDV-CQSZACIVSA-N 1 3 317.499 0.978 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCCC1 ZINC001001008365 665974622 /nfs/dbraw/zinc/97/46/22/665974622.db2.gz PCGLFYCDZZLWDE-GOEBONIOSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000941345589 665978369 /nfs/dbraw/zinc/97/83/69/665978369.db2.gz YFIRLUVRGWUKAV-DOTOQJQBSA-N 1 3 322.497 0.955 20 0 DCADHO CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C2(CCCCC2)C1 ZINC000906862265 663649136 /nfs/dbraw/zinc/64/91/36/663649136.db2.gz RXLQITJZOVABCT-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C2(CCCCC2)C1 ZINC000906862265 663649138 /nfs/dbraw/zinc/64/91/38/663649138.db2.gz RXLQITJZOVABCT-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC000908400745 663753792 /nfs/dbraw/zinc/75/37/92/663753792.db2.gz VZNGJHPYQHFMAT-IRXDYDNUSA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC000908400745 663753793 /nfs/dbraw/zinc/75/37/93/663753793.db2.gz VZNGJHPYQHFMAT-IRXDYDNUSA-N 1 3 320.481 0.709 20 0 DCADHO C[NH+]1CCC(CC(=O)NCC(=O)NCCN2CCCCC2)CC1 ZINC000909317923 663792684 /nfs/dbraw/zinc/79/26/84/663792684.db2.gz NLJSRZYFAIJMIP-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911056035 663973456 /nfs/dbraw/zinc/97/34/56/663973456.db2.gz SPEXVUCMCXKHIQ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911030277 663973872 /nfs/dbraw/zinc/97/38/72/663973872.db2.gz VEJQGFVACUXZAX-HZSPNIEDSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911160541 663995343 /nfs/dbraw/zinc/99/53/43/663995343.db2.gz DTISVKKVQGAXCY-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911163816 663996451 /nfs/dbraw/zinc/99/64/51/663996451.db2.gz ZKOPNZFXCDAIRP-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000911208116 664005067 /nfs/dbraw/zinc/00/50/67/664005067.db2.gz JGLKLMCAEBXEQL-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911244831 664010390 /nfs/dbraw/zinc/01/03/90/664010390.db2.gz SCRHZGIDYOCLAE-HUUCEWRRSA-N 1 3 318.421 0.185 20 0 DCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324633 664028061 /nfs/dbraw/zinc/02/80/61/664028061.db2.gz HWWKBYBRPVXFHS-KFWWJZLASA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911333448 664029828 /nfs/dbraw/zinc/02/98/28/664029828.db2.gz TUAJMDCSONIKJP-APIJFGDWSA-N 1 3 322.453 0.232 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH2+]C)C1 ZINC000911338085 664038041 /nfs/dbraw/zinc/03/80/41/664038041.db2.gz XNNLMCXLVASPTP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911528558 664068351 /nfs/dbraw/zinc/06/83/51/664068351.db2.gz PWHFCYWEIFFHAM-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000911529285 664068584 /nfs/dbraw/zinc/06/85/84/664068584.db2.gz CGLUQGPVYZYSQI-UHFFFAOYSA-N 1 3 324.469 0.422 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911530178 664069097 /nfs/dbraw/zinc/06/90/97/664069097.db2.gz YERSSFJFGYDFOP-CYBMUJFWSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911551668 664077061 /nfs/dbraw/zinc/07/70/61/664077061.db2.gz PMXNHCCNNNDSFP-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC[C@H](C)C1 ZINC000911536600 664080247 /nfs/dbraw/zinc/08/02/47/664080247.db2.gz OVLXQUSIRAEFBV-BTFPBAQTSA-N 1 3 322.453 0.232 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911564698 664082852 /nfs/dbraw/zinc/08/28/52/664082852.db2.gz VCYYBUJBODRFOC-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NC[C@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000911715308 664101911 /nfs/dbraw/zinc/10/19/11/664101911.db2.gz XCHXAMLAOMWLPL-ZIAGYGMSSA-N 1 3 316.405 0.771 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cccc3c2OCCNC3)CCO1 ZINC000911884472 664119607 /nfs/dbraw/zinc/11/96/07/664119607.db2.gz QIBVPSMBZPHNAM-BXUZGUMPSA-N 1 3 305.378 0.357 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000912464810 664176063 /nfs/dbraw/zinc/17/60/63/664176063.db2.gz ZWFBAXDLEJMATL-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000912464810 664176064 /nfs/dbraw/zinc/17/60/64/664176064.db2.gz ZWFBAXDLEJMATL-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCN(CCOC)C1 ZINC000730732832 664803996 /nfs/dbraw/zinc/80/39/96/664803996.db2.gz DUHGHOYSMTVFRC-KGLIPLIRSA-N 1 3 314.499 0.656 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCN(CCOC)C1 ZINC000730732832 664803997 /nfs/dbraw/zinc/80/39/97/664803997.db2.gz DUHGHOYSMTVFRC-KGLIPLIRSA-N 1 3 314.499 0.656 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000732889584 664970309 /nfs/dbraw/zinc/97/03/09/664970309.db2.gz AZFQEODKXGPXAX-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000732889584 664970312 /nfs/dbraw/zinc/97/03/12/664970312.db2.gz AZFQEODKXGPXAX-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000993806665 665004795 /nfs/dbraw/zinc/00/47/95/665004795.db2.gz MXJKCJXGYBUEFZ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000993806665 665004796 /nfs/dbraw/zinc/00/47/96/665004796.db2.gz MXJKCJXGYBUEFZ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000998040324 665391264 /nfs/dbraw/zinc/39/12/64/665391264.db2.gz QIIQIOVZQWSPAY-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC000998085891 665398094 /nfs/dbraw/zinc/39/80/94/665398094.db2.gz JEPLHUCYXWIBPS-HNNXBMFYSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665977 666041011 /nfs/dbraw/zinc/04/10/11/666041011.db2.gz LQVZPPHHFQMDES-HZPDHXFCSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665977 666041014 /nfs/dbraw/zinc/04/10/14/666041014.db2.gz LQVZPPHHFQMDES-HZPDHXFCSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001002234555 666143138 /nfs/dbraw/zinc/14/31/38/666143138.db2.gz GWAHFCMJXUOJRO-YUELXQCFSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001002234555 666143141 /nfs/dbraw/zinc/14/31/41/666143141.db2.gz GWAHFCMJXUOJRO-YUELXQCFSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032118671 666341377 /nfs/dbraw/zinc/34/13/77/666341377.db2.gz ONNGXUDPLJWFHJ-ZDUSSCGKSA-N 1 3 309.454 0.537 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000925357460 666344020 /nfs/dbraw/zinc/34/40/20/666344020.db2.gz FJUJJCHPRRPXGP-KGLIPLIRSA-N 1 3 308.426 0.877 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000925357460 666344022 /nfs/dbraw/zinc/34/40/22/666344022.db2.gz FJUJJCHPRRPXGP-KGLIPLIRSA-N 1 3 308.426 0.877 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC000944105149 666390166 /nfs/dbraw/zinc/39/01/66/666390166.db2.gz ZNLOBVDBKLOGNY-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000944105149 666390168 /nfs/dbraw/zinc/39/01/68/666390168.db2.gz ZNLOBVDBKLOGNY-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032206506 666446400 /nfs/dbraw/zinc/44/64/00/666446400.db2.gz CKGUZOZVELSWMI-CYBMUJFWSA-N 1 3 305.422 0.791 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2CC1)N(C)C ZINC000946642382 666575345 /nfs/dbraw/zinc/57/53/45/666575345.db2.gz HPKJRZXFFSFILK-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2CC1)N(C)C ZINC000946642382 666575346 /nfs/dbraw/zinc/57/53/46/666575346.db2.gz HPKJRZXFFSFILK-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946779230 666651164 /nfs/dbraw/zinc/65/11/64/666651164.db2.gz KKVUQNDRPZOUSF-OAGGEKHMSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946779230 666651165 /nfs/dbraw/zinc/65/11/65/666651165.db2.gz KKVUQNDRPZOUSF-OAGGEKHMSA-N 1 3 309.454 0.633 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1)N(C)C ZINC000946784395 666656388 /nfs/dbraw/zinc/65/63/88/666656388.db2.gz JDRMQWCTJPRAJC-JONQDZQNSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1)N(C)C ZINC000946784395 666656392 /nfs/dbraw/zinc/65/63/92/666656392.db2.gz JDRMQWCTJPRAJC-JONQDZQNSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995920095 666719960 /nfs/dbraw/zinc/71/99/60/666719960.db2.gz SGXOCPNIZNARIC-KGLIPLIRSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995920095 666719961 /nfs/dbraw/zinc/71/99/61/666719961.db2.gz SGXOCPNIZNARIC-KGLIPLIRSA-N 1 3 324.469 0.561 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996191676 666746903 /nfs/dbraw/zinc/74/69/03/666746903.db2.gz PINNSMMQZUQBRX-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996191676 666746905 /nfs/dbraw/zinc/74/69/05/666746905.db2.gz PINNSMMQZUQBRX-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC[N@@H+]1C ZINC000996195932 666749896 /nfs/dbraw/zinc/74/98/96/666749896.db2.gz MWZITRVHKXDATG-RWMBFGLXSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC[N@H+]1C ZINC000996195932 666749899 /nfs/dbraw/zinc/74/98/99/666749899.db2.gz MWZITRVHKXDATG-RWMBFGLXSA-N 1 3 310.442 0.029 20 0 DCADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(CCn2cccn2)C1 ZINC001033596359 666767726 /nfs/dbraw/zinc/76/77/26/666767726.db2.gz YQLUDIXJYZKKRQ-HNNXBMFYSA-N 1 3 317.437 0.512 20 0 DCADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCCO)C1 ZINC001033832229 666840432 /nfs/dbraw/zinc/84/04/32/666840432.db2.gz FCHRHTOVMHPGDE-HOTGVXAUSA-N 1 3 309.454 0.633 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1)N(C)C ZINC000996710377 666867037 /nfs/dbraw/zinc/86/70/37/666867037.db2.gz COSAEISRUNDVOS-CQSZACIVSA-N 1 3 308.430 0.236 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCn3cncn3)C2)C1 ZINC001034526556 667056988 /nfs/dbraw/zinc/05/69/88/667056988.db2.gz ZGQOIRRHPJWYLD-LSDHHAIUSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCn3cncn3)C2)C1 ZINC001034526556 667056991 /nfs/dbraw/zinc/05/69/91/667056991.db2.gz ZGQOIRRHPJWYLD-LSDHHAIUSA-N 1 3 320.441 0.201 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997008408 667070986 /nfs/dbraw/zinc/07/09/86/667070986.db2.gz MACPVKHJUQHNRB-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997008408 667070991 /nfs/dbraw/zinc/07/09/91/667070991.db2.gz MACPVKHJUQHNRB-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997003547 667071755 /nfs/dbraw/zinc/07/17/55/667071755.db2.gz BVMCLICWRIZKBF-GFCCVEGCSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997003547 667071758 /nfs/dbraw/zinc/07/17/58/667071758.db2.gz BVMCLICWRIZKBF-GFCCVEGCSA-N 1 3 323.466 0.961 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1)N(C)C ZINC000997008689 667072053 /nfs/dbraw/zinc/07/20/53/667072053.db2.gz DQKOQUHSOYQRSM-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C ZINC001034973484 667201425 /nfs/dbraw/zinc/20/14/25/667201425.db2.gz SCBINGKCCSMTBY-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCC1 ZINC000119776299 667205991 /nfs/dbraw/zinc/20/59/91/667205991.db2.gz BPZALKIESKFOBE-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC1 ZINC000119776299 667205994 /nfs/dbraw/zinc/20/59/94/667205994.db2.gz BPZALKIESKFOBE-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001034997526 667211120 /nfs/dbraw/zinc/21/11/20/667211120.db2.gz ANMMPQXWWRVRKL-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001035036074 667222675 /nfs/dbraw/zinc/22/26/75/667222675.db2.gz HAWXWBMOLBPPPV-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCc2cnnn2C)C1 ZINC001035049301 667228608 /nfs/dbraw/zinc/22/86/08/667228608.db2.gz MJPIKTUVOTWHIM-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCc2cnnn2C)C1 ZINC001035049301 667228611 /nfs/dbraw/zinc/22/86/11/667228611.db2.gz MJPIKTUVOTWHIM-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300728 667233334 /nfs/dbraw/zinc/23/33/34/667233334.db2.gz WRRMDYPEEOTMQN-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300728 667233337 /nfs/dbraw/zinc/23/33/37/667233337.db2.gz WRRMDYPEEOTMQN-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001035100432 667238673 /nfs/dbraw/zinc/23/86/73/667238673.db2.gz ATEWITUFDGHORF-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001035100432 667238680 /nfs/dbraw/zinc/23/86/80/667238680.db2.gz ATEWITUFDGHORF-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997297225 667239581 /nfs/dbraw/zinc/23/95/81/667239581.db2.gz DKEKDPUNPIMFAD-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997297225 667239583 /nfs/dbraw/zinc/23/95/83/667239583.db2.gz DKEKDPUNPIMFAD-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1nccnc1CNC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997298581 667240093 /nfs/dbraw/zinc/24/00/93/667240093.db2.gz KCVJVEYBBOBIDK-AWEZNQCLSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1nccnc1CNC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997298581 667240096 /nfs/dbraw/zinc/24/00/96/667240096.db2.gz KCVJVEYBBOBIDK-AWEZNQCLSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421056 667249786 /nfs/dbraw/zinc/24/97/86/667249786.db2.gz CZDRJGBSLGIJFQ-XJKSGUPXSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421056 667249789 /nfs/dbraw/zinc/24/97/89/667249789.db2.gz CZDRJGBSLGIJFQ-XJKSGUPXSA-N 1 3 306.410 0.648 20 0 DCADHO C[N@@H+]1CC[C@H](NC[C@@]23COCCN2C(=O)COC3)CC1(C)C ZINC000865794599 667347491 /nfs/dbraw/zinc/34/74/91/667347491.db2.gz FEDDEYTYDJTFIW-BBRMVZONSA-N 1 3 311.426 0.077 20 0 DCADHO C[N@H+]1CC[C@H](NC[C@@]23COCCN2C(=O)COC3)CC1(C)C ZINC000865794599 667347494 /nfs/dbraw/zinc/34/74/94/667347494.db2.gz FEDDEYTYDJTFIW-BBRMVZONSA-N 1 3 311.426 0.077 20 0 DCADHO CC1(C)CCNCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000866699360 667388054 /nfs/dbraw/zinc/38/80/54/667388054.db2.gz LSBZGJMLEHZERI-UHFFFAOYSA-N 1 3 324.347 0.839 20 0 DCADHO CC1(C)CCNCC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000866699360 667388056 /nfs/dbraw/zinc/38/80/56/667388056.db2.gz LSBZGJMLEHZERI-UHFFFAOYSA-N 1 3 324.347 0.839 20 0 DCADHO COCCC1(NS(=O)(=O)CCCN(C)C)CC[NH2+]CC1 ZINC000866824834 667402750 /nfs/dbraw/zinc/40/27/50/667402750.db2.gz JGCXMDYXUMDMTF-UHFFFAOYSA-N 1 3 307.460 0.016 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035725290 667404460 /nfs/dbraw/zinc/40/44/60/667404460.db2.gz MASNOZGJVMELJZ-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035725290 667404461 /nfs/dbraw/zinc/40/44/61/667404461.db2.gz MASNOZGJVMELJZ-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035739330 667405854 /nfs/dbraw/zinc/40/58/54/667405854.db2.gz WQKPUMGLQUTMBZ-HNNXBMFYSA-N 1 3 321.465 0.920 20 0 DCADHO COC[C@@H](C)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035852160 667413320 /nfs/dbraw/zinc/41/33/20/667413320.db2.gz RGDWUWSNRURIII-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO COC[C@@H](C)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035852160 667413321 /nfs/dbraw/zinc/41/33/21/667413321.db2.gz RGDWUWSNRURIII-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001036196804 667429438 /nfs/dbraw/zinc/42/94/38/667429438.db2.gz WAVVJTIEJMRTBC-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CC1 ZINC000923000781 667456104 /nfs/dbraw/zinc/45/61/04/667456104.db2.gz XFFYAZKNBGPCAM-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867564831 667468558 /nfs/dbraw/zinc/46/85/58/667468558.db2.gz NMWHYAFZTRRIQV-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867564831 667468562 /nfs/dbraw/zinc/46/85/62/667468562.db2.gz NMWHYAFZTRRIQV-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO COCC[C@@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000884194116 667494643 /nfs/dbraw/zinc/49/46/43/667494643.db2.gz ZOVXLAUOAXMWEA-CYBMUJFWSA-N 1 3 315.483 0.828 20 0 DCADHO COCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000884234461 667506301 /nfs/dbraw/zinc/50/63/01/667506301.db2.gz UOALFUOTFCWILP-MRXNPFEDSA-N 1 3 320.437 0.736 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946894965 667519194 /nfs/dbraw/zinc/51/91/94/667519194.db2.gz LSBKYWHGDJRADG-SOUVJXGZSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946894965 667519197 /nfs/dbraw/zinc/51/91/97/667519197.db2.gz LSBKYWHGDJRADG-SOUVJXGZSA-N 1 3 322.453 0.126 20 0 DCADHO Cc1cccc(C)c1OC[C@@H](O)CN1CCC(O)(C[NH3+])CC1 ZINC000923379890 667521277 /nfs/dbraw/zinc/52/12/77/667521277.db2.gz BISPDQWDLSNQNA-HNNXBMFYSA-N 1 3 308.422 0.829 20 0 DCADHO CN1CC(=O)N(CCN2CCC([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000923391341 667523266 /nfs/dbraw/zinc/52/32/66/667523266.db2.gz XVZZFLWRYOAHJK-AWEZNQCLSA-N 1 3 308.426 0.592 20 0 DCADHO CN1CC(=O)N(CCN2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000923391343 667523309 /nfs/dbraw/zinc/52/33/09/667523309.db2.gz XVZZFLWRYOAHJK-CQSZACIVSA-N 1 3 308.426 0.592 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884364537 667532212 /nfs/dbraw/zinc/53/22/12/667532212.db2.gz SWLQOAZGYAAWGG-SOUVJXGZSA-N 1 3 304.438 0.688 20 0 DCADHO COCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000884401727 667538287 /nfs/dbraw/zinc/53/82/87/667538287.db2.gz ZHBHJUCLFWFRMB-JKSUJKDBSA-N 1 3 321.421 0.233 20 0 DCADHO COCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000884401727 667538288 /nfs/dbraw/zinc/53/82/88/667538288.db2.gz ZHBHJUCLFWFRMB-JKSUJKDBSA-N 1 3 321.421 0.233 20 0 DCADHO COCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000884404061 667538742 /nfs/dbraw/zinc/53/87/42/667538742.db2.gz AEEIXUMXBYHNGM-OWCLPIDISA-N 1 3 321.421 0.621 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]21 ZINC000868214988 667542729 /nfs/dbraw/zinc/54/27/29/667542729.db2.gz AAIYKLHEGUTIHQ-QXSJWSMHSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]21 ZINC000868214988 667542731 /nfs/dbraw/zinc/54/27/31/667542731.db2.gz AAIYKLHEGUTIHQ-QXSJWSMHSA-N 1 3 322.453 0.585 20 0 DCADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498146 667549008 /nfs/dbraw/zinc/54/90/08/667549008.db2.gz JOZANTUPFBXCTN-KXUCPTDWSA-N 1 3 324.347 0.680 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868281515 667551874 /nfs/dbraw/zinc/55/18/74/667551874.db2.gz QARMSDWCYOHCMT-BZUAXINKSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868281515 667551878 /nfs/dbraw/zinc/55/18/78/667551878.db2.gz QARMSDWCYOHCMT-BZUAXINKSA-N 1 3 324.469 0.833 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884502459 667557452 /nfs/dbraw/zinc/55/74/52/667557452.db2.gz KNJSZQPVOUDIPW-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)[C@@H]1CCN(CCOCC[NH3+])[C@@H]([C@H]2CCCO2)C1 ZINC000923554307 667560264 /nfs/dbraw/zinc/56/02/64/667560264.db2.gz MRUGKNJRXOLVNL-MGPQQGTHSA-N 1 3 300.399 0.394 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@H]1[NH3+] ZINC000868404713 667566580 /nfs/dbraw/zinc/56/65/80/667566580.db2.gz FPCVUVVHMNOXHU-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868407429 667567868 /nfs/dbraw/zinc/56/78/68/667567868.db2.gz VFNFZWWGIFOUNB-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000884631611 667579800 /nfs/dbraw/zinc/57/98/00/667579800.db2.gz PXXDAFWMLSUEBD-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884712709 667597421 /nfs/dbraw/zinc/59/74/21/667597421.db2.gz YROKTDBCBBROIO-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884720511 667599335 /nfs/dbraw/zinc/59/93/35/667599335.db2.gz OLTMMNOZDSDDHS-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000884776427 667605906 /nfs/dbraw/zinc/60/59/06/667605906.db2.gz SHMGREYPAPTMRP-KFWWJZLASA-N 1 3 322.453 0.459 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884908757 667622034 /nfs/dbraw/zinc/62/20/34/667622034.db2.gz CDYHCELCKKJKQS-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923610484 667656053 /nfs/dbraw/zinc/65/60/53/667656053.db2.gz GGVPPLPYTUHJBY-ZIAGYGMSSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923610484 667656055 /nfs/dbraw/zinc/65/60/55/667656055.db2.gz GGVPPLPYTUHJBY-ZIAGYGMSSA-N 1 3 315.483 0.874 20 0 DCADHO CC(C)C[C@H]1CN(C)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000886600204 667781470 /nfs/dbraw/zinc/78/14/70/667781470.db2.gz OXRSMAXGSBQQHS-HOTGVXAUSA-N 1 3 309.454 0.896 20 0 DCADHO O[C@H](CN1CCCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000743860364 667817935 /nfs/dbraw/zinc/81/79/35/667817935.db2.gz BVMLHODXTVHKMS-DLBZAZTESA-N 1 3 311.470 0.630 20 0 DCADHO O[C@H](CN1CCCC1)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000743860364 667817937 /nfs/dbraw/zinc/81/79/37/667817937.db2.gz BVMLHODXTVHKMS-DLBZAZTESA-N 1 3 311.470 0.630 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N(C)CCCCCC[NH3+])CC1 ZINC000872155034 667870286 /nfs/dbraw/zinc/87/02/86/667870286.db2.gz KTZVVGLGDNSFFU-AWEZNQCLSA-N 1 3 312.458 0.517 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000872197153 667875056 /nfs/dbraw/zinc/87/50/56/667875056.db2.gz SYLBNYJNBYGMIE-AWEZNQCLSA-N 1 3 312.458 0.517 20 0 DCADHO CC(C)(O)C[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000872203348 667877013 /nfs/dbraw/zinc/87/70/13/667877013.db2.gz VMXAAIFGHVDQIB-JYJNAYRXSA-N 1 3 314.470 0.866 20 0 DCADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCN(CCN3CCOCC3)C2)C12CCC2 ZINC000925499103 668158062 /nfs/dbraw/zinc/15/80/62/668158062.db2.gz VFGYSFCUDFEDJD-ARFHVFGLSA-N 1 3 308.470 0.252 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000874466338 668191938 /nfs/dbraw/zinc/19/19/38/668191938.db2.gz MHAZGKKQORPQQS-JKSUJKDBSA-N 1 3 310.486 0.716 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000874466338 668191939 /nfs/dbraw/zinc/19/19/39/668191939.db2.gz MHAZGKKQORPQQS-JKSUJKDBSA-N 1 3 310.486 0.716 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924775802 668236723 /nfs/dbraw/zinc/23/67/23/668236723.db2.gz AKAPEMJKXPRDEM-KBPBESRZSA-N 1 3 310.442 0.836 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924775802 668236727 /nfs/dbraw/zinc/23/67/27/668236727.db2.gz AKAPEMJKXPRDEM-KBPBESRZSA-N 1 3 310.442 0.836 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(Cc2ccc(CC[NH+](C)C)cc2)C1=O ZINC000924836450 668242621 /nfs/dbraw/zinc/24/26/21/668242621.db2.gz ZEFZTPADNYBVNP-HNNXBMFYSA-N 1 3 318.421 0.773 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[N@@H+]1C ZINC000875208018 668280020 /nfs/dbraw/zinc/28/00/20/668280020.db2.gz OHYGLOZCPKNDIM-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[N@H+]1C ZINC000875208018 668280023 /nfs/dbraw/zinc/28/00/23/668280023.db2.gz OHYGLOZCPKNDIM-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000875294879 668296060 /nfs/dbraw/zinc/29/60/60/668296060.db2.gz FFWPCOJTTLZTRV-QWHCGFSZSA-N 1 3 310.442 0.368 20 0 DCADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000875294879 668296063 /nfs/dbraw/zinc/29/60/63/668296063.db2.gz FFWPCOJTTLZTRV-QWHCGFSZSA-N 1 3 310.442 0.368 20 0 DCADHO CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCN2C)C[C@H]1CC ZINC000925408443 668311567 /nfs/dbraw/zinc/31/15/67/668311567.db2.gz ZBDIFAPENUPRCO-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CCN2C)C[C@H]1CC ZINC000925408443 668311572 /nfs/dbraw/zinc/31/15/72/668311572.db2.gz ZBDIFAPENUPRCO-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@@H](c2ccccc2)[C@@H](C)N)CC1 ZINC000925537185 668328292 /nfs/dbraw/zinc/32/82/92/668328292.db2.gz KHKNHLITRQGQDV-CXAGYDPISA-N 1 3 304.438 0.875 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nn1 ZINC000925667885 668340168 /nfs/dbraw/zinc/34/01/68/668340168.db2.gz UATLTGVZHRPQNF-ZIAGYGMSSA-N 1 3 321.425 0.823 20 0 DCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788760 668348315 /nfs/dbraw/zinc/34/83/15/668348315.db2.gz LHTRMLSBMAPHJC-CRWXNKLISA-N 1 3 315.483 0.129 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC[C@@H]1C[NH3+] ZINC000926324649 668394251 /nfs/dbraw/zinc/39/42/51/668394251.db2.gz BOKRZCHKTOHCLW-KFWWJZLASA-N 1 3 322.453 0.126 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870675 668524041 /nfs/dbraw/zinc/52/40/41/668524041.db2.gz BTMDTOLBTRTPHX-OAGGEKHMSA-N 1 3 302.422 0.266 20 0 DCADHO COC[C@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCCC[NH2+]1 ZINC000877338309 668604567 /nfs/dbraw/zinc/60/45/67/668604567.db2.gz BWNSYSKRLNDHEL-WMZOPIPTSA-N 1 3 317.433 0.976 20 0 DCADHO COC[C@]1(C(=O)NC[C@H]2Cc3ccccc3CN2)CCCC[NH2+]1 ZINC000877338306 668604883 /nfs/dbraw/zinc/60/48/83/668604883.db2.gz BWNSYSKRLNDHEL-AEFFLSMTSA-N 1 3 317.433 0.976 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1Cc2ccccc2CN1 ZINC000877346468 668606269 /nfs/dbraw/zinc/60/62/69/668606269.db2.gz LBAHENOPZKFLIC-HZPDHXFCSA-N 1 3 303.406 0.586 20 0 DCADHO COC[C@]1(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCCN1 ZINC000877354232 668608220 /nfs/dbraw/zinc/60/82/20/668608220.db2.gz CUPBXYRKVDZZBR-GVXVVHGQSA-N 1 3 323.359 0.741 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000877451193 668619698 /nfs/dbraw/zinc/61/96/98/668619698.db2.gz LIQHXZLCBVHURY-TUKIKUTGSA-N 1 3 303.410 0.795 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(CCc3nnnn3C)CC2)CC1 ZINC000878723042 668917143 /nfs/dbraw/zinc/91/71/43/668917143.db2.gz ZSONIBRHXVAUPE-UHFFFAOYSA-N 1 3 321.473 0.245 20 0 DCADHO CCN1CCC([N@H+]2CCCN(CCc3nnnn3C)CC2)CC1 ZINC000878723042 668917146 /nfs/dbraw/zinc/91/71/46/668917146.db2.gz ZSONIBRHXVAUPE-UHFFFAOYSA-N 1 3 321.473 0.245 20 0 DCADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H](O)CO)C2)ccn1 ZINC000931094309 669133561 /nfs/dbraw/zinc/13/35/61/669133561.db2.gz LYCCZBMQKAVTPL-WBVHZDCISA-N 1 3 323.437 0.728 20 0 DCADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H](O)CO)C2)ccn1 ZINC000931094309 669133563 /nfs/dbraw/zinc/13/35/63/669133563.db2.gz LYCCZBMQKAVTPL-WBVHZDCISA-N 1 3 323.437 0.728 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793715303 669737102 /nfs/dbraw/zinc/73/71/02/669737102.db2.gz XTUFJMJNIMTAPE-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000883769883 669747480 /nfs/dbraw/zinc/74/74/80/669747480.db2.gz DSIGVMFGBPJKLJ-GJZGRUSLSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@@H](C[C@@H]1COCC[NH2+]1)NCCS(=O)(=O)CC(F)(F)F ZINC000854222880 670536032 /nfs/dbraw/zinc/53/60/32/670536032.db2.gz MTYPRSZRHFOCTB-VHSXEESVSA-N 1 3 318.361 0.320 20 0 DCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000813630933 670640455 /nfs/dbraw/zinc/64/04/55/670640455.db2.gz SFAJRTSLFDZXDQ-VYDXJSESSA-N 1 3 322.453 0.587 20 0 DCADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)C1 ZINC000813630933 670640460 /nfs/dbraw/zinc/64/04/60/670640460.db2.gz SFAJRTSLFDZXDQ-VYDXJSESSA-N 1 3 322.453 0.587 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC1CS(=O)(=O)C1 ZINC000849021043 670750518 /nfs/dbraw/zinc/75/05/18/670750518.db2.gz IJBJQOSNBMOEQQ-LBPRGKRZSA-N 1 3 302.444 0.019 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nnnn1CC1CC1 ZINC000849019711 670750769 /nfs/dbraw/zinc/75/07/69/670750769.db2.gz CPLQEKYDZWSHIP-LBPRGKRZSA-N 1 3 306.418 0.181 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCC[NH+](C)C)cn1 ZINC000849482561 670811058 /nfs/dbraw/zinc/81/10/58/670811058.db2.gz RQVWFIIASCLNFI-HUUCEWRRSA-N 1 3 307.442 0.523 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817962869 670956427 /nfs/dbraw/zinc/95/64/27/670956427.db2.gz MJKPEKDBJZHAAV-PBHICJAKSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCC1 ZINC000851655145 671005127 /nfs/dbraw/zinc/00/51/27/671005127.db2.gz MZYBMVIHBOCDSF-LLVKDONJSA-N 1 3 322.413 0.315 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000851691030 671016148 /nfs/dbraw/zinc/01/61/48/671016148.db2.gz JLJHWSPBWYYDRR-PBHICJAKSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(C=C1CC[NH2+]CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000852866102 671179645 /nfs/dbraw/zinc/17/96/45/671179645.db2.gz SALSONCEDDDALN-UHFFFAOYSA-N 1 3 320.437 0.063 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)c2ccccc2O1 ZINC000852872801 671181649 /nfs/dbraw/zinc/18/16/49/671181649.db2.gz RMDVZEQSVKSKTL-VXGBXAGGSA-N 1 3 318.377 0.446 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884103 671184905 /nfs/dbraw/zinc/18/49/05/671184905.db2.gz DPNMOEUWNCKXSG-XPKDYRNWSA-N 1 3 316.405 0.727 20 0 DCADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000852915777 671194405 /nfs/dbraw/zinc/19/44/05/671194405.db2.gz LPFMJRBZTZTQHX-HUUCEWRRSA-N 1 3 311.426 0.125 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000830236376 671620111 /nfs/dbraw/zinc/62/01/11/671620111.db2.gz ANXCXPZCJFDLOL-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000830236376 671620112 /nfs/dbraw/zinc/62/01/12/671620112.db2.gz ANXCXPZCJFDLOL-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO COCCN1CCC(NC(=O)NCCCCCC[NH3+])CC1 ZINC000831117615 671654125 /nfs/dbraw/zinc/65/41/25/671654125.db2.gz ZSEUSCVWCUYLSO-UHFFFAOYSA-N 1 3 300.447 0.916 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCCCCC[NH3+] ZINC000831273997 671662214 /nfs/dbraw/zinc/66/22/14/671662214.db2.gz DEAXMWMZJLXJNN-OAHLLOKOSA-N 1 3 313.490 0.831 20 0 DCADHO C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000841742389 671952545 /nfs/dbraw/zinc/95/25/45/671952545.db2.gz WZHPHVTYMSGGRY-AWEZNQCLSA-N 1 3 300.447 0.786 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841790518 671955546 /nfs/dbraw/zinc/95/55/46/671955546.db2.gz DSAOBAGPEOCMCP-QLFBSQMISA-N 1 3 312.458 0.864 20 0 DCADHO C[C@]1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCC[NH2+]C1 ZINC000841791456 671956506 /nfs/dbraw/zinc/95/65/06/671956506.db2.gz XITRUKOVXSCYCV-LZWOXQAQSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1NCCc2ccccc21 ZINC000841851856 671959928 /nfs/dbraw/zinc/95/99/28/671959928.db2.gz ZDYHHYZZBCQDMG-GOEBONIOSA-N 1 3 303.406 0.758 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CCO1 ZINC000841997607 671971831 /nfs/dbraw/zinc/97/18/31/671971831.db2.gz ODPTVDYMXDRQGX-VBNZEHGJSA-N 1 3 318.421 0.631 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCCCC1 ZINC000842014490 671974133 /nfs/dbraw/zinc/97/41/33/671974133.db2.gz CIXYUCRLIDTBCB-AWEZNQCLSA-N 1 3 322.453 0.403 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842015955 671974865 /nfs/dbraw/zinc/97/48/65/671974865.db2.gz PQQCHJCHAMIOJP-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N1CCCCC1 ZINC000842016792 671975119 /nfs/dbraw/zinc/97/51/19/671975119.db2.gz YAYOVKHBDUJMKF-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N1CCCCC1 ZINC000842016791 671975180 /nfs/dbraw/zinc/97/51/80/671975180.db2.gz YAYOVKHBDUJMKF-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000842016826 671975476 /nfs/dbraw/zinc/97/54/76/671975476.db2.gz YPIZUFROOSZTJB-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCO1 ZINC000843385932 672090458 /nfs/dbraw/zinc/09/04/58/672090458.db2.gz AARACFGIWDDOPX-OWCLPIDISA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])NC1CCCC1 ZINC000066246641 685065812 /nfs/dbraw/zinc/06/58/12/685065812.db2.gz WEDKZQPFDBSPPO-AWEZNQCLSA-N 1 3 309.458 0.986 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1)[NH+](C)C ZINC000954323365 685995329 /nfs/dbraw/zinc/99/53/29/685995329.db2.gz FXMLXGDBBZENBK-INIZCTEOSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(N(C)C(=O)CN3CCCC3)C2)C1 ZINC000954325059 685995910 /nfs/dbraw/zinc/99/59/10/685995910.db2.gz WMBACIVAIJMTOG-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)CN3CCCC3)C2)C1 ZINC000954325059 685995912 /nfs/dbraw/zinc/99/59/12/685995912.db2.gz WMBACIVAIJMTOG-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000955337113 686366862 /nfs/dbraw/zinc/36/68/62/686366862.db2.gz FJTDFZNPUDZEEJ-DZGCQCFKSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000955337113 686366871 /nfs/dbraw/zinc/36/68/71/686366871.db2.gz FJTDFZNPUDZEEJ-DZGCQCFKSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccnn3C)C2)C1 ZINC000962310141 688879855 /nfs/dbraw/zinc/87/98/55/688879855.db2.gz UEPLHJUYPUHXOZ-NFOMZHRRSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC000962406585 688902105 /nfs/dbraw/zinc/90/21/05/688902105.db2.gz OLOYBQIQGDWAFP-WVZRYYJFSA-N 1 3 318.421 0.876 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC000962406585 688902109 /nfs/dbraw/zinc/90/21/09/688902109.db2.gz OLOYBQIQGDWAFP-WVZRYYJFSA-N 1 3 318.421 0.876 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC000962707595 688969896 /nfs/dbraw/zinc/96/98/96/688969896.db2.gz HDFHOFRJSBANHT-MOKVOYLWSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC000962707595 688969900 /nfs/dbraw/zinc/96/99/00/688969900.db2.gz HDFHOFRJSBANHT-MOKVOYLWSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@@H](O)CN1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007622307 690717315 /nfs/dbraw/zinc/71/73/15/690717315.db2.gz UPXCMFBUDBHMCC-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+](CCO)C1)c1ccn(-c2ccncc2)n1 ZINC001007906201 690766192 /nfs/dbraw/zinc/76/61/92/690766192.db2.gz GNXZFSHHSCLFRY-CYBMUJFWSA-N 1 3 315.377 0.454 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+](CCO)C1)c1ccn(-c2ccncc2)n1 ZINC001007906201 690766198 /nfs/dbraw/zinc/76/61/98/690766198.db2.gz GNXZFSHHSCLFRY-CYBMUJFWSA-N 1 3 315.377 0.454 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CCCF)C2)n1 ZINC001014466039 692025664 /nfs/dbraw/zinc/02/56/64/692025664.db2.gz ARCRFWMLYXRZCT-CYBMUJFWSA-N 1 3 311.405 0.608 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CCCO)CC2 ZINC001016830834 692781672 /nfs/dbraw/zinc/78/16/72/692781672.db2.gz WOQDLKJWNMXCOL-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO Cn1cncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001019044603 693336088 /nfs/dbraw/zinc/33/60/88/693336088.db2.gz WXEUVUAPLUOBJU-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001019241596 693404825 /nfs/dbraw/zinc/40/48/25/693404825.db2.gz MRDKTRYNZJTHBR-BFHYXJOUSA-N 1 3 318.425 0.050 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001019337620 693437521 /nfs/dbraw/zinc/43/75/21/693437521.db2.gz SBBZEBOEEWQIKF-GOEBONIOSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001019383531 693457104 /nfs/dbraw/zinc/45/71/04/693457104.db2.gz HCEZUALAKAUPLS-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC001019438314 693473957 /nfs/dbraw/zinc/47/39/57/693473957.db2.gz JZDDVAXNFUGOAI-AWEZNQCLSA-N 1 3 316.409 0.656 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1)C(N)=O ZINC001019518285 693505190 /nfs/dbraw/zinc/50/51/90/693505190.db2.gz HFMBTADCCWPSEI-DOMZBBRYSA-N 1 3 318.421 0.426 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC001020173791 693722090 /nfs/dbraw/zinc/72/20/90/693722090.db2.gz FPIDLAJQYYOOFF-DARAHFNDSA-N 1 3 319.453 0.887 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC001020173791 693722092 /nfs/dbraw/zinc/72/20/92/693722092.db2.gz FPIDLAJQYYOOFF-DARAHFNDSA-N 1 3 319.453 0.887 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074564745 694908336 /nfs/dbraw/zinc/90/83/36/694908336.db2.gz ADIYEIGGXUSJAP-KKUMJFAQSA-N 1 3 305.426 0.556 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001074853279 694926657 /nfs/dbraw/zinc/92/66/57/694926657.db2.gz YJZBMLMGBHOJNJ-QEJZJMRPSA-N 1 3 322.453 0.138 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)C1=O ZINC001075108895 694938643 /nfs/dbraw/zinc/93/86/43/694938643.db2.gz WFNRUMUDFUWGFX-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076587119 695030309 /nfs/dbraw/zinc/03/03/09/695030309.db2.gz UPSZXEXCBAPDJS-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076587119 695030310 /nfs/dbraw/zinc/03/03/10/695030310.db2.gz UPSZXEXCBAPDJS-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001076924312 695100795 /nfs/dbraw/zinc/10/07/95/695100795.db2.gz JEFBNQJKQRPQNS-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001076924312 695100798 /nfs/dbraw/zinc/10/07/98/695100798.db2.gz JEFBNQJKQRPQNS-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]C/C=C/Cl)CC1 ZINC001570418909 1162509893 /nfs/dbraw/zinc/50/98/93/1162509893.db2.gz GAOKMRVTXMJDTA-LPZVBRGNSA-N 1 3 315.845 0.776 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001571462899 1162769230 /nfs/dbraw/zinc/76/92/30/1162769230.db2.gz LVBQKWSQIZQNJJ-SMDDNHRTSA-N 1 3 319.409 0.057 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753926476 1157407850 /nfs/dbraw/zinc/40/78/50/1157407850.db2.gz SROKHFIXQARVHS-LSDHHAIUSA-N 1 3 315.433 0.820 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753926476 1157407852 /nfs/dbraw/zinc/40/78/52/1157407852.db2.gz SROKHFIXQARVHS-LSDHHAIUSA-N 1 3 315.433 0.820 20 0 DCADHO CC(C)(C[NH3+])C1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC001772291799 1157726556 /nfs/dbraw/zinc/72/65/56/1157726556.db2.gz YDCGXTBRCMYIEF-UHFFFAOYSA-N 1 3 305.426 0.893 20 0 DCADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H](O)C[NH3+])c2)CC1 ZINC001648995434 1158361738 /nfs/dbraw/zinc/36/17/38/1158361738.db2.gz BSMFXKKIUUUWCV-MRXNPFEDSA-N 1 3 320.437 0.865 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001649083088 1158633946 /nfs/dbraw/zinc/63/39/46/1158633946.db2.gz HKKHLCFJBAMTTI-NVXWUHKLSA-N 1 3 308.470 0.662 20 0 DCADHO Cc1cc(CN2CCC23CN(CC2CC[NH2+]CC2)C3)n(C)n1 ZINC001276714451 1159117569 /nfs/dbraw/zinc/11/75/69/1159117569.db2.gz WVRHKADCNWTROI-UHFFFAOYSA-N 1 3 303.454 0.988 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001445956968 1159324502 /nfs/dbraw/zinc/32/45/02/1159324502.db2.gz RHAUVMOVWCVAJM-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001566456578 1159987304 /nfs/dbraw/zinc/98/73/04/1159987304.db2.gz IJVSZIHQJWXNIU-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001566456578 1159987309 /nfs/dbraw/zinc/98/73/09/1159987309.db2.gz IJVSZIHQJWXNIU-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO COCCOCCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566619166 1160096283 /nfs/dbraw/zinc/09/62/83/1160096283.db2.gz APTDDCJSTNFUIQ-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO COCCOCCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566619166 1160096292 /nfs/dbraw/zinc/09/62/92/1160096292.db2.gz APTDDCJSTNFUIQ-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001566793122 1160154702 /nfs/dbraw/zinc/15/47/02/1160154702.db2.gz KHJMMSOFDQDPIZ-HDJSIYSDSA-N 1 3 324.469 0.624 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCN(C)C(=O)CN(C)C1CCC1 ZINC001567508621 1160401820 /nfs/dbraw/zinc/40/18/20/1160401820.db2.gz CZZFBJBXODJFGZ-UHFFFAOYSA-N 1 3 307.442 0.761 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001567555565 1160419392 /nfs/dbraw/zinc/41/93/92/1160419392.db2.gz SVIKPVDBZYVYSI-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CC(N)=O ZINC001567643876 1160446809 /nfs/dbraw/zinc/44/68/09/1160446809.db2.gz ZXOXRIOYXCBPQF-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CC(N)=O ZINC001567643876 1160446810 /nfs/dbraw/zinc/44/68/10/1160446810.db2.gz ZXOXRIOYXCBPQF-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO O=C(NC1(CNCCF)CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001570301050 1161554902 /nfs/dbraw/zinc/55/49/02/1161554902.db2.gz IHJOWYYIIRWZMC-AWEZNQCLSA-N 1 3 313.417 0.553 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001575139586 1163913718 /nfs/dbraw/zinc/91/37/18/1163913718.db2.gz NPARJKRACJAWLH-BLLLJJGKSA-N 1 3 308.426 0.874 20 0 DCADHO C[C@H](CC(=O)N[C@@H](CO)CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001575920942 1164185112 /nfs/dbraw/zinc/18/51/12/1164185112.db2.gz HLJXNSFMLVJKMF-BZUAXINKSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC001575961156 1164195004 /nfs/dbraw/zinc/19/50/04/1164195004.db2.gz BVTDAWDDSDJJLB-HUUCEWRRSA-N 1 3 310.486 0.907 20 0 DCADHO CCCC[C@H](CNCc1c[nH]nn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001576382877 1164322151 /nfs/dbraw/zinc/32/21/51/1164322151.db2.gz JBATZNXDIFLAOO-UMVBOHGHSA-N 1 3 322.457 0.910 20 0 DCADHO CCCC[C@H](CNCc1c[nH]nn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001576382877 1164322158 /nfs/dbraw/zinc/32/21/58/1164322158.db2.gz JBATZNXDIFLAOO-UMVBOHGHSA-N 1 3 322.457 0.910 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccccc1C[NH3+] ZINC001576573186 1164398987 /nfs/dbraw/zinc/39/89/87/1164398987.db2.gz NUDOZIIVESXFOE-LBPRGKRZSA-N 1 3 304.394 0.337 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)c2ccnn2CCN(C)C)CC1 ZINC001577837224 1164808561 /nfs/dbraw/zinc/80/85/61/1164808561.db2.gz FEFCVVCAPZYTKD-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CCc1nnc(N2CC[NH2+][C@H](C)C2)n1CCN1CC=CCC1 ZINC001578326274 1164974949 /nfs/dbraw/zinc/97/49/49/1164974949.db2.gz FAAGZYBDEYIGCC-CQSZACIVSA-N 1 3 304.442 0.901 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001578421712 1165010161 /nfs/dbraw/zinc/01/01/61/1165010161.db2.gz XYMCOMKWHDMDGI-FICVDOATSA-N 1 3 309.435 0.587 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001578527980 1165045470 /nfs/dbraw/zinc/04/54/70/1165045470.db2.gz AGLJKFPIKHYBJM-RBSFLKMASA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@]2(C)C[C@H]([NH3+])CCO2)CC1 ZINC001578533197 1165048998 /nfs/dbraw/zinc/04/89/98/1165048998.db2.gz AURSNKLBWDTQHM-ZBFHGGJFSA-N 1 3 312.458 0.027 20 0 DCADHO C[NH2+]CCOCCNCc1cc(C(=O)OC)c2n1CCCC2 ZINC001578709827 1165088917 /nfs/dbraw/zinc/08/89/17/1165088917.db2.gz QPXUPMDMOBZKKD-UHFFFAOYSA-N 1 3 309.410 0.937 20 0 DCADHO COCC[C@@H]([NH3+])CN[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC001579001893 1165185776 /nfs/dbraw/zinc/18/57/76/1165185776.db2.gz MXJGSYDYALBIDC-QZTJIDSGSA-N 1 3 320.481 0.929 20 0 DCADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2(CCO)C[NH2+]C2)cc1 ZINC001579199059 1165237057 /nfs/dbraw/zinc/23/70/57/1165237057.db2.gz FDCNRSIVYBRXRC-OAHLLOKOSA-N 1 3 321.421 0.575 20 0 DCADHO COc1cccc([C@@H](CNC(=O)C[C@H](O)C[NH3+])N2CCCC2)c1 ZINC001579258760 1165251022 /nfs/dbraw/zinc/25/10/22/1165251022.db2.gz APZKLOLCOMKFER-GOEBONIOSA-N 1 3 321.421 0.658 20 0 DCADHO Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCC[NH3+] ZINC001579910148 1165432099 /nfs/dbraw/zinc/43/20/99/1165432099.db2.gz GPLJMEDCCBLCNG-UHFFFAOYSA-N 1 3 308.430 0.236 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1CCC[NH2+]CC1 ZINC001580653969 1165675211 /nfs/dbraw/zinc/67/52/11/1165675211.db2.gz HFWYBKUQUCLOAZ-RBSFLKMASA-N 1 3 310.442 0.539 20 0 DCADHO O=S(=O)(CC1C[NH2+]C1)NC[C@H]1CCN1C1CCCCCC1 ZINC001580863245 1165742980 /nfs/dbraw/zinc/74/29/80/1165742980.db2.gz MBCYCNYIOVSBEA-OAHLLOKOSA-N 1 3 315.483 0.922 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001584752391 1166363784 /nfs/dbraw/zinc/36/37/84/1166363784.db2.gz JIKSOOJYBSDURH-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(-c2nnn[n-]2)cc1 ZINC001605051448 1169796137 /nfs/dbraw/zinc/79/61/37/1169796137.db2.gz AHSYUMMBOREUSN-AWEZNQCLSA-N 1 3 304.398 0.753 20 0 DCADHO COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001605051448 1169796139 /nfs/dbraw/zinc/79/61/39/1169796139.db2.gz AHSYUMMBOREUSN-AWEZNQCLSA-N 1 3 304.398 0.753 20 0 DCADHO CN1CCN(CCCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001624305246 1171452782 /nfs/dbraw/zinc/45/27/82/1171452782.db2.gz NKKPQRUGORNMAS-UHFFFAOYSA-N 1 3 308.470 0.759 20 0 DCADHO COc1ccccc1COC[C@@H](O)CNC[C@@]1(O)CC[N@H+](C)C1 ZINC001647560772 1172972483 /nfs/dbraw/zinc/97/24/83/1172972483.db2.gz SNIOTKJAWRECIO-RDJZCZTQSA-N 1 3 324.421 0.229 20 0 DCADHO COc1ccccc1COC[C@@H](O)CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC001647560772 1172972484 /nfs/dbraw/zinc/97/24/84/1172972484.db2.gz SNIOTKJAWRECIO-RDJZCZTQSA-N 1 3 324.421 0.229 20 0 DCADHO Cc1c(C(=O)N(C)C2CCN(C)CC2)nnn1C1CC[NH2+]CC1 ZINC001649855565 1173263136 /nfs/dbraw/zinc/26/31/36/1173263136.db2.gz QUYSICAUEVSEPD-UHFFFAOYSA-N 1 3 320.441 0.677 20 0 DCADHO C[C@H]1C[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+]1C ZINC001649879125 1173279145 /nfs/dbraw/zinc/27/91/45/1173279145.db2.gz CCFCTXPKWCWCNG-CMPLNLGQSA-N 1 3 322.413 0.265 20 0 DCADHO C[C@H]1C[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+]1C ZINC001649879125 1173279153 /nfs/dbraw/zinc/27/91/53/1173279153.db2.gz CCFCTXPKWCWCNG-CMPLNLGQSA-N 1 3 322.413 0.265 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001650340273 1173577595 /nfs/dbraw/zinc/57/75/95/1173577595.db2.gz RKRVMSQAKWUXCD-GDBMZVCRSA-N 1 3 309.454 0.803 20 0 DCADHO COCCOC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001652938350 1173778126 /nfs/dbraw/zinc/77/81/26/1173778126.db2.gz SHQMNAOQATZMBU-DJIMGWMZSA-N 1 3 312.454 0.959 20 0 DCADHO COCCOC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001652938350 1173778129 /nfs/dbraw/zinc/77/81/29/1173778129.db2.gz SHQMNAOQATZMBU-DJIMGWMZSA-N 1 3 312.454 0.959 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001660529103 1174005363 /nfs/dbraw/zinc/00/53/63/1174005363.db2.gz NFHWJYOFHYBGCA-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)[C@H]2CCNC2=O)CC[N@H+]1C ZINC001660529103 1174005372 /nfs/dbraw/zinc/00/53/72/1174005372.db2.gz NFHWJYOFHYBGCA-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001664320912 1174422245 /nfs/dbraw/zinc/42/22/45/1174422245.db2.gz GSIZIMIJODIZAW-OAHLLOKOSA-N 1 3 307.442 0.919 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCc1ccnn1C ZINC001664391525 1174429234 /nfs/dbraw/zinc/42/92/34/1174429234.db2.gz NRQUTVYLRMMJJX-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)N(C)C2CC2)C1 ZINC001669039549 1174881253 /nfs/dbraw/zinc/88/12/53/1174881253.db2.gz OCOTZJMZHAGHSP-XGACYXMMSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)N(C)C2CC2)C1 ZINC001669039549 1174881257 /nfs/dbraw/zinc/88/12/57/1174881257.db2.gz OCOTZJMZHAGHSP-XGACYXMMSA-N 1 3 322.453 0.211 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCF)C1)N(C)C ZINC001673675945 1175221748 /nfs/dbraw/zinc/22/17/48/1175221748.db2.gz LQLBOCDBGQYIPL-UKRRQHHQSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(N)=O ZINC001675985743 1175409430 /nfs/dbraw/zinc/40/94/30/1175409430.db2.gz GPKAIHFXYLACJC-UONOGXRCSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNC(=O)[C@@H]2CCCN2C)C1 ZINC001689268920 1176780234 /nfs/dbraw/zinc/78/02/34/1176780234.db2.gz MPDAVKDTYVPNPQ-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNC(=O)[C@@H]2CCCN2C)C1 ZINC001689268920 1176780245 /nfs/dbraw/zinc/78/02/45/1176780245.db2.gz MPDAVKDTYVPNPQ-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001689391707 1176862100 /nfs/dbraw/zinc/86/21/00/1176862100.db2.gz HXAPBPVBWRVRGG-ZRUQZJFASA-N 1 3 322.453 0.211 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001690740672 1177315203 /nfs/dbraw/zinc/31/52/03/1177315203.db2.gz BUBGJUZCZMUEHZ-CYBMUJFWSA-N 1 3 321.425 0.307 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CN1CCCC1 ZINC001698860087 1177697564 /nfs/dbraw/zinc/69/75/64/1177697564.db2.gz LIVCXGAVXZZIHF-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001699763443 1178279756 /nfs/dbraw/zinc/27/97/56/1178279756.db2.gz XVEUZWCZZZEGRQ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1)N1CCC1 ZINC001700089848 1178474642 /nfs/dbraw/zinc/47/46/42/1178474642.db2.gz WGVQLGXOVQTVBN-OAHLLOKOSA-N 1 3 322.453 0.143 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)CNCCF)[NH+]1CCCCC1 ZINC001700977998 1178855974 /nfs/dbraw/zinc/85/59/74/1178855974.db2.gz MKOPBCHNZRDVQE-HUUCEWRRSA-N 1 3 317.449 0.875 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001703279769 1179440785 /nfs/dbraw/zinc/44/07/85/1179440785.db2.gz PWMWACLNAHFRDS-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001712991107 1180615186 /nfs/dbraw/zinc/61/51/86/1180615186.db2.gz MITYAOCCKNARTQ-CQSZACIVSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001712991107 1180615189 /nfs/dbraw/zinc/61/51/89/1180615189.db2.gz MITYAOCCKNARTQ-CQSZACIVSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001713168482 1180705681 /nfs/dbraw/zinc/70/56/81/1180705681.db2.gz LMWKKIMLIJHUNM-FVQBIDKESA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001713655081 1180998828 /nfs/dbraw/zinc/99/88/28/1180998828.db2.gz QRBCLPMMMXASIJ-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713930725 1181155662 /nfs/dbraw/zinc/15/56/62/1181155662.db2.gz SGONTVWSXYBOAU-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCOCC(F)F)C1 ZINC001714367012 1181336799 /nfs/dbraw/zinc/33/67/99/1181336799.db2.gz MQZANWBRBYSJDO-NSHDSACASA-N 1 3 316.352 0.672 20 0 DCADHO CN(C)C1(C(=O)NCc2ccc(CC[NH2+]CCO)cc2)CCC1 ZINC001714424656 1181356961 /nfs/dbraw/zinc/35/69/61/1181356961.db2.gz ZCQPCEKUESYMNZ-UHFFFAOYSA-N 1 3 319.449 0.912 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001715153226 1181702738 /nfs/dbraw/zinc/70/27/38/1181702738.db2.gz HKAXAENZQYMDPO-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001715252677 1181735037 /nfs/dbraw/zinc/73/50/37/1181735037.db2.gz KOTFFZRAZDAMMH-KBPBESRZSA-N 1 3 319.453 0.969 20 0 DCADHO CC(C)NC(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001715369000 1181791461 /nfs/dbraw/zinc/79/14/61/1181791461.db2.gz MYCRHHFOIDPBMV-GFCCVEGCSA-N 1 3 324.429 0.096 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001715733278 1181966718 /nfs/dbraw/zinc/96/67/18/1181966718.db2.gz BLTYEVWZSLLXJY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCC(=O)N2CCC2)CC[N@H+]1C ZINC001715733278 1181966725 /nfs/dbraw/zinc/96/67/25/1181966725.db2.gz BLTYEVWZSLLXJY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715734690 1181966990 /nfs/dbraw/zinc/96/69/90/1181966990.db2.gz NRHXQPWGSPZNGU-AWEZNQCLSA-N 1 3 320.441 0.393 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C1CC[NH+](C)CC1 ZINC001715754534 1181977172 /nfs/dbraw/zinc/97/71/72/1181977172.db2.gz FUMQBLZZOYRDRX-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)n1 ZINC001715931475 1182107566 /nfs/dbraw/zinc/10/75/66/1182107566.db2.gz FMEHDAFOLKPMLK-GFCCVEGCSA-N 1 3 322.457 0.474 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)n1 ZINC001715949003 1182114655 /nfs/dbraw/zinc/11/46/55/1182114655.db2.gz KLLNENXNYQLXCG-QWHCGFSZSA-N 1 3 322.457 0.331 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)n1 ZINC001716276210 1182296274 /nfs/dbraw/zinc/29/62/74/1182296274.db2.gz GQKGUUXTIVEPPW-RGDDUWESSA-N 1 3 320.441 0.251 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001716304160 1182317420 /nfs/dbraw/zinc/31/74/20/1182317420.db2.gz ACYJKSSNAKEDJQ-KFBXHMBNSA-N 1 3 310.442 0.065 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1)C1CCC1 ZINC001723906635 1184361449 /nfs/dbraw/zinc/36/14/49/1184361449.db2.gz URTHNGNFBXZZOE-HNNXBMFYSA-N 1 3 320.441 0.343 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@]1(C)CCN(CCn2cncn2)C1 ZINC001724185420 1184397962 /nfs/dbraw/zinc/39/79/62/1184397962.db2.gz YCKOLUXUEPBIQO-MRXNPFEDSA-N 1 3 322.457 0.591 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001724751656 1184542678 /nfs/dbraw/zinc/54/26/78/1184542678.db2.gz SYORJEQFHYZLFM-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCOCCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001724914219 1184617634 /nfs/dbraw/zinc/61/76/34/1184617634.db2.gz VUJNCYPPJOOCBI-MRXNPFEDSA-N 1 3 324.425 0.322 20 0 DCADHO COCCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001725776469 1184990959 /nfs/dbraw/zinc/99/09/59/1184990959.db2.gz MUPKQKMPQJZYLL-YMAMQOFZSA-N 1 3 313.442 0.323 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001731751542 1185469303 /nfs/dbraw/zinc/46/93/03/1185469303.db2.gz YAIFETVJYMZLOU-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001731751542 1185469310 /nfs/dbraw/zinc/46/93/10/1185469310.db2.gz YAIFETVJYMZLOU-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001731941620 1185594681 /nfs/dbraw/zinc/59/46/81/1185594681.db2.gz VWVBJIXKRXUNHS-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001732729392 1185939887 /nfs/dbraw/zinc/93/98/87/1185939887.db2.gz YUDSCCAZQNMFOC-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\CN[C@H](C)C(=O)NC)C1 ZINC001732893163 1186042252 /nfs/dbraw/zinc/04/22/52/1186042252.db2.gz UGSPTKDENDMQOD-JGUVHBTRSA-N 1 3 324.469 0.505 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CN[C@H](C)C(=O)NC)C1 ZINC001732893163 1186042253 /nfs/dbraw/zinc/04/22/53/1186042253.db2.gz UGSPTKDENDMQOD-JGUVHBTRSA-N 1 3 324.469 0.505 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1)C(=O)N(C)C ZINC001733127011 1186152844 /nfs/dbraw/zinc/15/28/44/1186152844.db2.gz WIBBXHRXUPDFRO-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCN(C)C(=O)CN2CCCC2)C1=O ZINC001733143346 1186160594 /nfs/dbraw/zinc/16/05/94/1186160594.db2.gz HSJPGLWIKYOBCL-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC ZINC001733144494 1186161707 /nfs/dbraw/zinc/16/17/07/1186161707.db2.gz GRTATCNJHRTRHF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)=CC[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001733483588 1186293037 /nfs/dbraw/zinc/29/30/37/1186293037.db2.gz UMUHQCOHJPEZOV-INIZCTEOSA-N 1 3 309.454 0.990 20 0 DCADHO CC(C)=CC[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001733483588 1186293041 /nfs/dbraw/zinc/29/30/41/1186293041.db2.gz UMUHQCOHJPEZOV-INIZCTEOSA-N 1 3 309.454 0.990 20 0 DCADHO CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)N1CCCCC1 ZINC001733735674 1186421982 /nfs/dbraw/zinc/42/19/82/1186421982.db2.gz RUJNJXDKXHRIRJ-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@H](CNCCF)C1 ZINC001733739419 1186424400 /nfs/dbraw/zinc/42/44/00/1186424400.db2.gz MCPFQCQIFXRLJJ-ZIAGYGMSSA-N 1 3 301.406 0.647 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@H](CNCCF)C1 ZINC001733739419 1186424403 /nfs/dbraw/zinc/42/44/03/1186424403.db2.gz MCPFQCQIFXRLJJ-ZIAGYGMSSA-N 1 3 301.406 0.647 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCn2cccn2)C1 ZINC001733957175 1186508102 /nfs/dbraw/zinc/50/81/02/1186508102.db2.gz QOJJJZVIKKVHCP-UHFFFAOYSA-N 1 3 316.409 0.642 20 0 DCADHO CN(C[C@@H](O)C[NH2+]C/C=C\Cl)C(=O)CN(C)C1CCC1 ZINC001734518754 1186673505 /nfs/dbraw/zinc/67/35/05/1186673505.db2.gz LXKONWCXEMBSBQ-IRBQFCFKSA-N 1 3 303.834 0.632 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)C12CCC[NH+]1CCC2 ZINC001736764365 1187094048 /nfs/dbraw/zinc/09/40/48/1187094048.db2.gz HDNPOAKTBQNVEQ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CN(CCCNC(=O)CCC[NH+]1CCCC1)[C@@H]1CCCNC1=O ZINC001752120794 1188393203 /nfs/dbraw/zinc/39/32/03/1188393203.db2.gz CAKZYNLYMCMWBD-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CCCC1 ZINC001753039805 1188481229 /nfs/dbraw/zinc/48/12/29/1188481229.db2.gz KISVXCSNSJHXTB-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CN1CCCC1 ZINC001753039805 1188481231 /nfs/dbraw/zinc/48/12/31/1188481231.db2.gz KISVXCSNSJHXTB-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001753252443 1188549686 /nfs/dbraw/zinc/54/96/86/1188549686.db2.gz YNDREXOIEQNGND-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753252443 1188549689 /nfs/dbraw/zinc/54/96/89/1188549689.db2.gz YNDREXOIEQNGND-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)C1=O ZINC001754398521 1188845251 /nfs/dbraw/zinc/84/52/51/1188845251.db2.gz NUYNOFPVMPOHQP-ZDUSSCGKSA-N 1 3 307.398 0.011 20 0 DCADHO C[NH+]1CCC(CC(=O)N(CCO)CCNC/C=C/Cl)CC1 ZINC001754893476 1188966970 /nfs/dbraw/zinc/96/69/70/1188966970.db2.gz XBEALCPXIYZZAU-GORDUTHDSA-N 1 3 317.861 0.881 20 0 DCADHO O=C(C1C[NH2+]C1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404134665 1190187906 /nfs/dbraw/zinc/18/79/06/1190187906.db2.gz BTHJISHMYJDHQD-IAGOWNOFSA-N 1 3 315.417 0.708 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccon3)CC2)CC1 ZINC001771612697 1190450931 /nfs/dbraw/zinc/45/09/31/1190450931.db2.gz GJKDTIXNHISPGO-UHFFFAOYSA-N 1 3 306.410 0.892 20 0 DCADHO COCC[C@@H](N)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC001771872542 1190537694 /nfs/dbraw/zinc/53/76/94/1190537694.db2.gz CTLMSUVDIAXSNZ-CQSZACIVSA-N 1 3 301.431 0.356 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC001772274273 1190650786 /nfs/dbraw/zinc/65/07/86/1190650786.db2.gz RWIXXWWHMIDJPE-GXFFZTMASA-N 1 3 323.368 0.570 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001772293763 1190655679 /nfs/dbraw/zinc/65/56/79/1190655679.db2.gz ZKWHMDBQEBACKP-CHWSQXEVSA-N 1 3 311.426 0.777 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001772294634 1190655844 /nfs/dbraw/zinc/65/58/44/1190655844.db2.gz LFWYKYGLFCRFOB-CQSZACIVSA-N 1 3 318.421 0.922 20 0 DCADHO COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C ZINC001772431401 1190680327 /nfs/dbraw/zinc/68/03/27/1190680327.db2.gz HBBWPULKBWBDQP-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001575918291 1164183534 /nfs/dbraw/zinc/18/35/34/1164183534.db2.gz LGMAHQBIDXFVLN-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(Cc1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nc1)C1CC1 ZINC001164407334 718840881 /nfs/dbraw/zinc/84/08/81/718840881.db2.gz VDAUICWVZJYHET-INIZCTEOSA-N 1 3 301.438 0.770 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466489 751406936 /nfs/dbraw/zinc/40/69/36/751406936.db2.gz MPAANNDYKCHFNI-ZFWWWQNUSA-N 1 3 324.469 0.195 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1 ZINC001106905914 751513746 /nfs/dbraw/zinc/51/37/46/751513746.db2.gz NECJQBPIZPMROP-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC1(C)CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)N(CCO)C1 ZINC001089722615 751538640 /nfs/dbraw/zinc/53/86/40/751538640.db2.gz BBDNGSOXOCZNKD-CQSZACIVSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001167224473 747025887 /nfs/dbraw/zinc/02/58/87/747025887.db2.gz KWVKVOIDCNUPSV-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001210811902 747138545 /nfs/dbraw/zinc/13/85/45/747138545.db2.gz RIUNVVZDPBZCMV-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001211286765 747192024 /nfs/dbraw/zinc/19/20/24/747192024.db2.gz WHRSVHHKHMDEQF-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CO[C@@H]1CN(CCCOC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378290 747450989 /nfs/dbraw/zinc/45/09/89/747450989.db2.gz KRTNFRJWDQHNPC-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO COCCN(C)Cc1ccnc(-n2c(C)ncc(C[NH3+])c2=N)c1 ZINC001167673328 747505951 /nfs/dbraw/zinc/50/59/51/747505951.db2.gz WAGWTKBZRNSIHO-UHFFFAOYSA-N 1 3 316.409 0.592 20 0 DCADHO O[C@@]1(CNC[C@H]2COCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000690765237 747556861 /nfs/dbraw/zinc/55/68/61/747556861.db2.gz KMVIGKLGRWXHRF-DLBZAZTESA-N 1 3 306.406 0.628 20 0 DCADHO O[C@@]1(CNC[C@H]2COCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000690765237 747556866 /nfs/dbraw/zinc/55/68/66/747556866.db2.gz KMVIGKLGRWXHRF-DLBZAZTESA-N 1 3 306.406 0.628 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCCO)C1 ZINC001087392046 747911411 /nfs/dbraw/zinc/91/14/11/747911411.db2.gz BJGAXVRWTVCVGS-TUUVXOQKSA-N 1 3 318.421 0.503 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCCO)C1 ZINC001087392046 747911415 /nfs/dbraw/zinc/91/14/15/747911415.db2.gz BJGAXVRWTVCVGS-TUUVXOQKSA-N 1 3 318.421 0.503 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001203456274 752242341 /nfs/dbraw/zinc/24/23/41/752242341.db2.gz UIEQRXGLDKZSSM-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086558608 761932072 /nfs/dbraw/zinc/93/20/72/761932072.db2.gz DYZNFNGANQGOQI-AJNGGQMLSA-N 1 3 322.453 0.234 20 0 DCADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001088341962 749384711 /nfs/dbraw/zinc/38/47/11/749384711.db2.gz WPJGVZDKPYCKOM-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001088430644 749438165 /nfs/dbraw/zinc/43/81/65/749438165.db2.gz UXRBYNZXBSVNJQ-OAHLLOKOSA-N 1 3 324.469 0.709 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCc2ccnn2C)C1 ZINC001100901809 749524555 /nfs/dbraw/zinc/52/45/55/749524555.db2.gz PLPCZWMVGMDRAI-UHFFFAOYSA-N 1 3 321.469 0.789 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001168320535 749915072 /nfs/dbraw/zinc/91/50/72/749915072.db2.gz AVCKHERNCRXFDV-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CCC[N@H+]1C[C@@H](NC(=O)c2sccc2CN(C)C)[C@@H](O)C1 ZINC001083500639 750042476 /nfs/dbraw/zinc/04/24/76/750042476.db2.gz BTZVOGVKQBRVDX-OLZOCXBDSA-N 1 3 311.451 0.995 20 0 DCADHO CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2CN(C)C)[C@@H](O)C1 ZINC001083500639 750042485 /nfs/dbraw/zinc/04/24/85/750042485.db2.gz BTZVOGVKQBRVDX-OLZOCXBDSA-N 1 3 311.451 0.995 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077127631 750214393 /nfs/dbraw/zinc/21/43/93/750214393.db2.gz CJXJZMZUDZZGDC-ARFHVFGLSA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077127631 750214397 /nfs/dbraw/zinc/21/43/97/750214397.db2.gz CJXJZMZUDZZGDC-ARFHVFGLSA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)C1 ZINC001077128076 750214989 /nfs/dbraw/zinc/21/49/89/750214989.db2.gz VYLBOOLFUSHNQQ-GVDBMIGSSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)C1 ZINC001077128076 750214991 /nfs/dbraw/zinc/21/49/91/750214991.db2.gz VYLBOOLFUSHNQQ-GVDBMIGSSA-N 1 3 323.481 0.926 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255578 750936780 /nfs/dbraw/zinc/93/67/80/750936780.db2.gz JXVJFMCSQLSQMP-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255578 750936785 /nfs/dbraw/zinc/93/67/85/750936785.db2.gz JXVJFMCSQLSQMP-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1)N(C)C ZINC001106309500 751104993 /nfs/dbraw/zinc/10/49/93/751104993.db2.gz VELBQBOURJVNOL-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106626840 751208462 /nfs/dbraw/zinc/20/84/62/751208462.db2.gz NOXZTKRCNUVLSU-DGCLKSJQSA-N 1 3 308.430 0.249 20 0 DCADHO COc1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001106626920 751208563 /nfs/dbraw/zinc/20/85/63/751208563.db2.gz NXXZCVYKTITBQU-CHWSQXEVSA-N 1 3 324.425 0.819 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC001106783565 751276794 /nfs/dbraw/zinc/27/67/94/751276794.db2.gz SZTMEGHOQBNDJH-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001045127462 753054823 /nfs/dbraw/zinc/05/48/23/753054823.db2.gz NMFMHYKMBOJVNY-GWUWNPHMSA-N 1 3 307.438 0.839 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN(C)C1CCC1 ZINC001078201227 753119367 /nfs/dbraw/zinc/11/93/67/753119367.db2.gz MIQJXYUJFZPZCI-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)N2CCO ZINC001045819821 753343150 /nfs/dbraw/zinc/34/31/50/753343150.db2.gz FKZBHRWLUUEJBR-IKGGRYGDSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045819821 753343155 /nfs/dbraw/zinc/34/31/55/753343155.db2.gz FKZBHRWLUUEJBR-IKGGRYGDSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045819821 753343161 /nfs/dbraw/zinc/34/31/61/753343161.db2.gz FKZBHRWLUUEJBR-IKGGRYGDSA-N 1 3 321.465 0.918 20 0 DCADHO C[C@H](O)CN1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046694201 753878555 /nfs/dbraw/zinc/87/85/55/753878555.db2.gz FFRSDIQVNGBVBV-BBRMVZONSA-N 1 3 323.441 0.020 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@]2(C)CCN(CCCO)C2)cn1 ZINC001046696316 753882208 /nfs/dbraw/zinc/88/22/08/753882208.db2.gz TWORFLWBQJBUBP-MRXNPFEDSA-N 1 3 323.441 0.021 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001046891384 754003774 /nfs/dbraw/zinc/00/37/74/754003774.db2.gz IIGNNELQCIJPRU-CJNGLKHVSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001090451275 762281302 /nfs/dbraw/zinc/28/13/02/762281302.db2.gz FWUHACPDYKMBFF-IRXDYDNUSA-N 1 3 319.449 0.976 20 0 DCADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047443705 754287647 /nfs/dbraw/zinc/28/76/47/754287647.db2.gz ZNQJTMPUMUURCA-GJZGRUSLSA-N 1 3 307.438 0.528 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(CC)C1=O ZINC001128786755 754288405 /nfs/dbraw/zinc/28/84/05/754288405.db2.gz VOPVKFKLHHOWAM-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(CC)C1=O ZINC001128786755 754288410 /nfs/dbraw/zinc/28/84/10/754288410.db2.gz VOPVKFKLHHOWAM-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(CC)C1=O ZINC001128786758 754289469 /nfs/dbraw/zinc/28/94/69/754289469.db2.gz VOPVKFKLHHOWAM-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(CC)C1=O ZINC001128786758 754289472 /nfs/dbraw/zinc/28/94/72/754289472.db2.gz VOPVKFKLHHOWAM-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063714 754597792 /nfs/dbraw/zinc/59/77/92/754597792.db2.gz FODCWXHNIGFHNW-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001114997426 754841911 /nfs/dbraw/zinc/84/19/11/754841911.db2.gz KSCHHAOWVJMXSM-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001114997426 754841912 /nfs/dbraw/zinc/84/19/12/754841912.db2.gz KSCHHAOWVJMXSM-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038330 755086936 /nfs/dbraw/zinc/08/69/36/755086936.db2.gz FLSQTIZRNALXMA-CAOSSQGBSA-N 1 3 311.470 0.998 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038330 755086938 /nfs/dbraw/zinc/08/69/38/755086938.db2.gz FLSQTIZRNALXMA-CAOSSQGBSA-N 1 3 311.470 0.998 20 0 DCADHO C[C@@H]1CC[C@@H](C[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)O1 ZINC001049083859 755108984 /nfs/dbraw/zinc/10/89/84/755108984.db2.gz WWVPNMUYALEGGU-NYTXWWLZSA-N 1 3 318.421 0.910 20 0 DCADHO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)O1 ZINC001049083859 755108986 /nfs/dbraw/zinc/10/89/86/755108986.db2.gz WWVPNMUYALEGGU-NYTXWWLZSA-N 1 3 318.421 0.910 20 0 DCADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079807997 756016332 /nfs/dbraw/zinc/01/63/32/756016332.db2.gz BCOYXGUHJLNKBU-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079807997 756016335 /nfs/dbraw/zinc/01/63/35/756016335.db2.gz BCOYXGUHJLNKBU-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079930214 756050015 /nfs/dbraw/zinc/05/00/15/756050015.db2.gz GBUZEIDFMCAQLD-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072317038 762438452 /nfs/dbraw/zinc/43/84/52/762438452.db2.gz JNOPDPTVPHMCHZ-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054197446 756403439 /nfs/dbraw/zinc/40/34/39/756403439.db2.gz BSZZBGNBKABMAR-DOTOQJQBSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001054197446 756403442 /nfs/dbraw/zinc/40/34/42/756403442.db2.gz BSZZBGNBKABMAR-DOTOQJQBSA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001054296470 756426341 /nfs/dbraw/zinc/42/63/41/756426341.db2.gz KMDADEJEYZBWIZ-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1NCC(N)=O ZINC001054646081 756596133 /nfs/dbraw/zinc/59/61/33/756596133.db2.gz AEAPCBLRTYRLDF-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082562220 757188153 /nfs/dbraw/zinc/18/81/53/757188153.db2.gz YHHXHMIIWCUURJ-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653481 757215620 /nfs/dbraw/zinc/21/56/20/757215620.db2.gz MPUSDCSVNGNCHL-RJZXRHAOSA-N 1 3 307.438 0.695 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC001082766748 757261682 /nfs/dbraw/zinc/26/16/82/757261682.db2.gz WUYCLPNKDFAZCA-BPLDGKMQSA-N 1 3 306.410 0.958 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084087820 757667820 /nfs/dbraw/zinc/66/78/20/757667820.db2.gz AZXUMOYUWAWHGC-CVEARBPZSA-N 1 3 305.422 0.932 20 0 DCADHO CO[C@H](C)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084629259 757941129 /nfs/dbraw/zinc/94/11/29/757941129.db2.gz NIYDBRCGHSRRGN-FVQBIDKESA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753439 758026560 /nfs/dbraw/zinc/02/65/60/758026560.db2.gz NEMWEPMOAJEXPU-KGLIPLIRSA-N 1 3 322.453 0.126 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753439 758026570 /nfs/dbraw/zinc/02/65/70/758026570.db2.gz NEMWEPMOAJEXPU-KGLIPLIRSA-N 1 3 322.453 0.126 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084998148 758160383 /nfs/dbraw/zinc/16/03/83/758160383.db2.gz WRJFQJVYGNECLL-PVAVHDDUSA-N 1 3 321.465 0.776 20 0 DCADHO COC[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098224951 762635704 /nfs/dbraw/zinc/63/57/04/762635704.db2.gz NTAOHNAMKYSXLW-TUVASFSCSA-N 1 3 307.438 0.839 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001051342193 758585326 /nfs/dbraw/zinc/58/53/26/758585326.db2.gz WOMLQKPYFBNUCV-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001085279678 758796921 /nfs/dbraw/zinc/79/69/21/758796921.db2.gz XGXODBYAVRKOPP-QJNCVLDKSA-N 1 3 307.438 0.887 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085306689 758808788 /nfs/dbraw/zinc/80/87/88/758808788.db2.gz MMOUCVPSSNXBLA-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085306689 758808793 /nfs/dbraw/zinc/80/87/93/758808793.db2.gz MMOUCVPSSNXBLA-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001147884966 767873862 /nfs/dbraw/zinc/87/38/62/767873862.db2.gz ITEMMJGMFDWAGN-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001147884966 767873867 /nfs/dbraw/zinc/87/38/67/767873867.db2.gz ITEMMJGMFDWAGN-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nc(CC[NH3+])nn1-c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001168985457 760530943 /nfs/dbraw/zinc/53/09/43/760530943.db2.gz CHSBJEKMEYFWIU-CYBMUJFWSA-N 1 3 313.409 0.676 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1-n1nncc1CN ZINC001169309073 760641540 /nfs/dbraw/zinc/64/15/40/760641540.db2.gz YHYSTAGMZNTURQ-UHFFFAOYSA-N 1 3 303.370 0.564 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365702 767974902 /nfs/dbraw/zinc/97/49/02/767974902.db2.gz XHGPZNBIFQTUSX-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069902680 760949584 /nfs/dbraw/zinc/94/95/84/760949584.db2.gz JVGLSOQKRFFWAT-RDBSUJKOSA-N 1 3 324.404 0.073 20 0 DCADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069902680 760949590 /nfs/dbraw/zinc/94/95/90/760949590.db2.gz JVGLSOQKRFFWAT-RDBSUJKOSA-N 1 3 324.404 0.073 20 0 DCADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001069902680 760949598 /nfs/dbraw/zinc/94/95/98/760949598.db2.gz JVGLSOQKRFFWAT-RDBSUJKOSA-N 1 3 324.404 0.073 20 0 DCADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1 ZINC001069902680 760949604 /nfs/dbraw/zinc/94/96/04/760949604.db2.gz JVGLSOQKRFFWAT-RDBSUJKOSA-N 1 3 324.404 0.073 20 0 DCADHO COCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769637 761038874 /nfs/dbraw/zinc/03/88/74/761038874.db2.gz YFVOWAXAJSUGJV-YDHLFZDLSA-N 1 3 306.410 0.958 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001148577733 768019594 /nfs/dbraw/zinc/01/95/94/768019594.db2.gz AQFMALCTRJWYAR-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001148577733 768019598 /nfs/dbraw/zinc/01/95/98/768019598.db2.gz AQFMALCTRJWYAR-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC001148643145 768022667 /nfs/dbraw/zinc/02/26/67/768022667.db2.gz SELDPGDZKHLZQD-HNNXBMFYSA-N 1 3 323.437 0.474 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001071346551 761788009 /nfs/dbraw/zinc/78/80/09/761788009.db2.gz UQOHLDZSRKITGR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1n1ccnn1 ZINC001129918490 763050549 /nfs/dbraw/zinc/05/05/49/763050549.db2.gz AEMDBVZWWYYHNP-KGLIPLIRSA-N 1 3 322.457 0.760 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001129949273 763055083 /nfs/dbraw/zinc/05/50/83/763055083.db2.gz AMUBOOOPQWVFID-OCCSQVGLSA-N 1 3 308.430 0.057 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O)C1CCC1 ZINC001099879060 763095385 /nfs/dbraw/zinc/09/53/85/763095385.db2.gz FAJNANFHELZQCK-KBPBESRZSA-N 1 3 301.406 0.382 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O)C1CCC1 ZINC001099879060 763095390 /nfs/dbraw/zinc/09/53/90/763095390.db2.gz FAJNANFHELZQCK-KBPBESRZSA-N 1 3 301.406 0.382 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)C23CCC[NH+](CCC2)C3)C1=O ZINC001130171387 763162817 /nfs/dbraw/zinc/16/28/17/763162817.db2.gz OKRQURNLJBZVDS-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C)N(C)C ZINC001130203820 763176575 /nfs/dbraw/zinc/17/65/75/763176575.db2.gz YJBYQQHFUIYGFW-GFCCVEGCSA-N 1 3 315.462 0.130 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001130427927 763298037 /nfs/dbraw/zinc/29/80/37/763298037.db2.gz VIYWHPQAOITIQF-UHFFFAOYSA-N 1 3 324.473 0.885 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O)N1CCCC1 ZINC001090488865 763417756 /nfs/dbraw/zinc/41/77/56/763417756.db2.gz GSXAORWMWZHUJR-KGLIPLIRSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O)N1CCCC1 ZINC001090488865 763417758 /nfs/dbraw/zinc/41/77/58/763417758.db2.gz GSXAORWMWZHUJR-KGLIPLIRSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1cncn1C ZINC001130710740 763449580 /nfs/dbraw/zinc/44/95/80/763449580.db2.gz CLGOLDAXTPESLY-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1cncn1C ZINC001130710740 763449587 /nfs/dbraw/zinc/44/95/87/763449587.db2.gz CLGOLDAXTPESLY-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158080015 763479300 /nfs/dbraw/zinc/47/93/00/763479300.db2.gz WXCRQZMPZKTNNE-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO COC[C@H](O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426764 763571419 /nfs/dbraw/zinc/57/14/19/763571419.db2.gz ZZNYWERINSMDKY-CVSAEHQPSA-N 1 3 315.458 0.064 20 0 DCADHO Cn1nncc1CNC1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617376 763683878 /nfs/dbraw/zinc/68/38/78/763683878.db2.gz RAHAVXCPNIKORJ-UHFFFAOYSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@H](Nc1ncc(F)c(C2CC[NH2+]CC2)n1)[C@@H]1CNCCO1 ZINC001170561391 763821849 /nfs/dbraw/zinc/82/18/49/763821849.db2.gz DWGQCLWHPNQOFP-GWCFXTLKSA-N 1 3 309.389 0.872 20 0 DCADHO C[C@H](Nc1ccnc(N2CCC([NH3+])CC2)n1)[C@H]1CNCCO1 ZINC001170561605 763823971 /nfs/dbraw/zinc/82/39/71/763823971.db2.gz FSXADDLNNSTCRP-WCQYABFASA-N 1 3 306.414 0.193 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131790592 764013582 /nfs/dbraw/zinc/01/35/82/764013582.db2.gz QHNQMYGNMUMSFF-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790994 764014775 /nfs/dbraw/zinc/01/47/75/764014775.db2.gz YMDSZOHMYSLOST-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786293 764031700 /nfs/dbraw/zinc/03/17/00/764031700.db2.gz MGKFKMNNQUPTCT-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799595 764036509 /nfs/dbraw/zinc/03/65/09/764036509.db2.gz SMHBKFRRAWTFBW-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CC[C@H](NCCNC(=O)C2(C[NH+](C)C)CCCCC2)C1=O ZINC001131799317 764036779 /nfs/dbraw/zinc/03/67/79/764036779.db2.gz MURKAVNRAOSDDI-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132284113 764352305 /nfs/dbraw/zinc/35/23/05/764352305.db2.gz WMKQOYXPWDLZMF-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO COCCN1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132425788 764453149 /nfs/dbraw/zinc/45/31/49/764453149.db2.gz MFEUMCPZQGECEL-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1C)N(C)C ZINC001102087904 764521653 /nfs/dbraw/zinc/52/16/53/764521653.db2.gz APTQMONNTXSYPD-APIJFGDWSA-N 1 3 315.458 0.018 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C)N(C)C ZINC001102087904 764521657 /nfs/dbraw/zinc/52/16/57/764521657.db2.gz APTQMONNTXSYPD-APIJFGDWSA-N 1 3 315.458 0.018 20 0 DCADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290610 764579576 /nfs/dbraw/zinc/57/95/76/764579576.db2.gz METCPYUTBFYSSP-HZSPNIEDSA-N 1 3 324.469 0.147 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531690 764682040 /nfs/dbraw/zinc/68/20/40/764682040.db2.gz AEOKFTRJAQWOCB-YRGRVCCFSA-N 1 3 308.426 0.980 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531690 764682047 /nfs/dbraw/zinc/68/20/47/764682047.db2.gz AEOKFTRJAQWOCB-YRGRVCCFSA-N 1 3 308.426 0.980 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600392 764720236 /nfs/dbraw/zinc/72/02/36/764720236.db2.gz CQSDBBVDSHMOOU-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600392 764720244 /nfs/dbraw/zinc/72/02/44/764720244.db2.gz CQSDBBVDSHMOOU-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001132994916 764782051 /nfs/dbraw/zinc/78/20/51/764782051.db2.gz FVKRIRWINSPTEB-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001133048190 764807113 /nfs/dbraw/zinc/80/71/13/764807113.db2.gz MOVPFHIDNXWOQL-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001133135904 764839932 /nfs/dbraw/zinc/83/99/32/764839932.db2.gz YXABMKBWISBPEC-STQMWFEESA-N 1 3 321.425 0.115 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001102977277 764882017 /nfs/dbraw/zinc/88/20/17/764882017.db2.gz UCDMRMVHNQUUKX-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001102977277 764882026 /nfs/dbraw/zinc/88/20/26/764882026.db2.gz UCDMRMVHNQUUKX-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO C[NH+]1CCC(C(=O)NCCNCC(=O)N2CCCCC2)CC1 ZINC001133286110 764907539 /nfs/dbraw/zinc/90/75/39/764907539.db2.gz XNFINVIRWDSRPX-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090322 764940073 /nfs/dbraw/zinc/94/00/73/764940073.db2.gz RHVUVNQMANMXOR-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090322 764940082 /nfs/dbraw/zinc/94/00/82/764940082.db2.gz RHVUVNQMANMXOR-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415978 764957433 /nfs/dbraw/zinc/95/74/33/764957433.db2.gz XCRGZMHUTBOMNU-CQSZACIVSA-N 1 3 300.447 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001133415494 764955164 /nfs/dbraw/zinc/95/51/64/764955164.db2.gz AEKUORQCYSSADC-OAHLLOKOSA-N 1 3 320.437 0.578 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103156460 764963036 /nfs/dbraw/zinc/96/30/36/764963036.db2.gz FDUWFTUSTSDTQM-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103156460 764963042 /nfs/dbraw/zinc/96/30/42/764963042.db2.gz FDUWFTUSTSDTQM-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103433497 765054789 /nfs/dbraw/zinc/05/47/89/765054789.db2.gz FZVWUOLXVJUTNR-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103433497 765054798 /nfs/dbraw/zinc/05/47/98/765054798.db2.gz FZVWUOLXVJUTNR-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCc1ccco1 ZINC001133819673 765151574 /nfs/dbraw/zinc/15/15/74/765151574.db2.gz KVSQFOWWSZEOFU-ZDUSSCGKSA-N 1 3 322.409 0.086 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCc1ccco1 ZINC001133819673 765151581 /nfs/dbraw/zinc/15/15/81/765151581.db2.gz KVSQFOWWSZEOFU-ZDUSSCGKSA-N 1 3 322.409 0.086 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCOC[C@H]2CCCO2)C1 ZINC001133850595 765170587 /nfs/dbraw/zinc/17/05/87/765170587.db2.gz NVXMBIOYGLIHMH-LSDHHAIUSA-N 1 3 313.442 0.230 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC001133846323 765180364 /nfs/dbraw/zinc/18/03/64/765180364.db2.gz YSICXUMVDGOMIN-CQSZACIVSA-N 1 3 305.422 0.727 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133867412 765192597 /nfs/dbraw/zinc/19/25/97/765192597.db2.gz UFRZVTIVLOUWMG-LSDHHAIUSA-N 1 3 324.469 0.148 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133867412 765192602 /nfs/dbraw/zinc/19/26/02/765192602.db2.gz UFRZVTIVLOUWMG-LSDHHAIUSA-N 1 3 324.469 0.148 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F)N(C)C ZINC001133968511 765262204 /nfs/dbraw/zinc/26/22/04/765262204.db2.gz XJQWXYAVSMEOJN-LSDHHAIUSA-N 1 3 311.401 0.905 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCCOC)C[C@H]21 ZINC001115081752 765582628 /nfs/dbraw/zinc/58/26/28/765582628.db2.gz XEABAOYNNNOOIV-FOLVSLTJSA-N 1 3 313.442 0.038 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCCOC)C[C@H]21 ZINC001115081752 765582632 /nfs/dbraw/zinc/58/26/32/765582632.db2.gz XEABAOYNNNOOIV-FOLVSLTJSA-N 1 3 313.442 0.038 20 0 DCADHO C[C@H](C(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+]1CCCCCC1 ZINC001134756254 765667664 /nfs/dbraw/zinc/66/76/64/765667664.db2.gz BKCHTHOYHKMTOR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866406 768316188 /nfs/dbraw/zinc/31/61/88/768316188.db2.gz BRONLKOSJZKEMI-OCCSQVGLSA-N 1 3 312.458 0.480 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC)C(C)C ZINC001135474124 765939937 /nfs/dbraw/zinc/93/99/37/765939937.db2.gz HPSCGBIFWMEKHN-QWHCGFSZSA-N 1 3 300.447 0.193 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc2nonc2c1 ZINC001135511619 765966629 /nfs/dbraw/zinc/96/66/29/765966629.db2.gz VWGSMHDHFLBWID-UHFFFAOYSA-N 1 3 305.382 0.770 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCOC ZINC001135743259 766085397 /nfs/dbraw/zinc/08/53/97/766085397.db2.gz HPMKRXGZBMANFU-CABCVRRESA-N 1 3 317.474 0.864 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001135979270 766193709 /nfs/dbraw/zinc/19/37/09/766193709.db2.gz DHNKYVYGDKKMHT-KGLIPLIRSA-N 1 3 303.447 0.210 20 0 DCADHO O=C(NCC1CC([NH2+]CCF)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001091151200 766961806 /nfs/dbraw/zinc/96/18/06/766961806.db2.gz PWNWHZJROHIHTE-IXUJDMMCSA-N 1 3 311.401 0.304 20 0 DCADHO O[C@@H](CNCCCOCC1CCOCC1)C[NH+]1CCCC1 ZINC001120497236 767042716 /nfs/dbraw/zinc/04/27/16/767042716.db2.gz SJDHKXCICMAPKX-INIZCTEOSA-N 1 3 300.443 0.866 20 0 DCADHO Cc1ncc(CNC2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001091364813 767213831 /nfs/dbraw/zinc/21/38/31/767213831.db2.gz OFZOMNPWTMXPRT-SIWZUTFBSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CNC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001091364813 767213835 /nfs/dbraw/zinc/21/38/35/767213835.db2.gz OFZOMNPWTMXPRT-SIWZUTFBSA-N 1 3 317.437 0.721 20 0 DCADHO CN(CC/C=C/c1cccnc1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160928552 767413001 /nfs/dbraw/zinc/41/30/01/767413001.db2.gz FXXCDFBIKPFCGU-IWZWCOEHSA-N 1 3 308.451 0.963 20 0 DCADHO CO[C@@H](C)CN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240901 769046548 /nfs/dbraw/zinc/04/65/48/769046548.db2.gz JCQHEKSUOXJIQQ-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)COC)CCCO1 ZINC001150469568 769104643 /nfs/dbraw/zinc/10/46/43/769104643.db2.gz HPKGDQOHLIBXAT-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)COC)CCCO1 ZINC001150469568 769104646 /nfs/dbraw/zinc/10/46/46/769104646.db2.gz HPKGDQOHLIBXAT-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc2nc(N)sc2c1 ZINC001150509520 769112690 /nfs/dbraw/zinc/11/26/90/769112690.db2.gz LKFSIQZHFSATDE-UHFFFAOYSA-N 1 3 306.395 0.953 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C[C@@H](C)O)CCCO1 ZINC001149936545 769122886 /nfs/dbraw/zinc/12/28/86/769122886.db2.gz IAFKBJMGGDUZLV-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C[C@@H](C)O)CCCO1 ZINC001149936545 769122892 /nfs/dbraw/zinc/12/28/92/769122892.db2.gz IAFKBJMGGDUZLV-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001149936744 769123145 /nfs/dbraw/zinc/12/31/45/769123145.db2.gz MWEUDYSUMDSUOA-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001149936744 769123150 /nfs/dbraw/zinc/12/31/50/769123150.db2.gz MWEUDYSUMDSUOA-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CN(CCCF)CCCO2)C1 ZINC001150589530 769132875 /nfs/dbraw/zinc/13/28/75/769132875.db2.gz VCKVSGPDLXLLNE-CABCVRRESA-N 1 3 315.433 0.895 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(CCCF)CCCO2)C1 ZINC001150589530 769132882 /nfs/dbraw/zinc/13/28/82/769132882.db2.gz VCKVSGPDLXLLNE-CABCVRRESA-N 1 3 315.433 0.895 20 0 DCADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606821 769137381 /nfs/dbraw/zinc/13/73/81/769137381.db2.gz LIMUMUYDFLIHCG-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001151066542 769251037 /nfs/dbraw/zinc/25/10/37/769251037.db2.gz VVACYZZZCJTFCJ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001151066542 769251043 /nfs/dbraw/zinc/25/10/43/769251043.db2.gz VVACYZZZCJTFCJ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001171587142 769316739 /nfs/dbraw/zinc/31/67/39/769316739.db2.gz YRZPQKZQNXOMGD-LBPRGKRZSA-N 1 3 300.447 0.467 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001171769632 769371619 /nfs/dbraw/zinc/37/16/19/769371619.db2.gz BLNFTLVRJYLHBE-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO COc1cc2cc(C(=O)N(CCCC[NH3+])C(=N)N)[nH]c2cn1 ZINC001151641754 769385113 /nfs/dbraw/zinc/38/51/13/769385113.db2.gz YMBWRWMSIJOCBK-UHFFFAOYSA-N 1 3 304.354 0.646 20 0 DCADHO COCCC[NH+]1CCC(NCCC(=O)N2CCOCC2)CC1 ZINC001172244052 769464173 /nfs/dbraw/zinc/46/41/73/769464173.db2.gz XGYLZENBBIKZOS-UHFFFAOYSA-N 1 3 313.442 0.326 20 0 DCADHO [NH3+]CCN1CCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172666270 769493896 /nfs/dbraw/zinc/49/38/96/769493896.db2.gz UQFXBXVFGRLKKY-KRWDZBQOSA-N 1 3 316.449 0.754 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152349188 769532848 /nfs/dbraw/zinc/53/28/48/769532848.db2.gz WBQDFHPRGQQIKX-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NCCNC(=O)CC[NH+]1CCCCC1)C(=O)NC1CC1 ZINC001152349131 769533121 /nfs/dbraw/zinc/53/31/21/769533121.db2.gz UQOQKTNIZJPMNO-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152459047 769565664 /nfs/dbraw/zinc/56/56/64/769565664.db2.gz XOQSZTCINIVDGJ-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001152459006 769566823 /nfs/dbraw/zinc/56/68/23/769566823.db2.gz WOWKVQIQWWRWGG-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO c1cc2n(c1CN1CCCO[C@@]3(C[NH2+]CCOC3)C1)CCNC2 ZINC001235198083 769777729 /nfs/dbraw/zinc/77/77/29/769777729.db2.gz CLNWHZSUJMDOFA-KRWDZBQOSA-N 1 3 320.437 0.172 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153491184 769825885 /nfs/dbraw/zinc/82/58/85/769825885.db2.gz GWFKFOJIQNYDNU-RBSFLKMASA-N 1 3 322.457 0.445 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153491184 769825899 /nfs/dbraw/zinc/82/58/99/769825899.db2.gz GWFKFOJIQNYDNU-RBSFLKMASA-N 1 3 322.457 0.445 20 0 DCADHO CN(C)C(=O)COC[C@@H]1Cn2nccc2CN(CCCC[NH3+])C1 ZINC001235486607 769856318 /nfs/dbraw/zinc/85/63/18/769856318.db2.gz RSIFLOVDQJWIOY-AWEZNQCLSA-N 1 3 323.441 0.159 20 0 DCADHO CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175318023 769887093 /nfs/dbraw/zinc/88/70/93/769887093.db2.gz UOCVPNOPIRDCFT-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001238879126 770139983 /nfs/dbraw/zinc/13/99/83/770139983.db2.gz PKLIKCFYCDSVEL-UHFFFAOYSA-N 1 3 321.393 0.713 20 0 DCADHO NCCS(=O)(=O)N(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001239144759 770193543 /nfs/dbraw/zinc/19/35/43/770193543.db2.gz IZFAXPTVSJRHTC-UHFFFAOYSA-N 1 3 315.414 0.668 20 0 DCADHO CC[C@H]([NH2+]CCCNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001176890325 770212401 /nfs/dbraw/zinc/21/24/01/770212401.db2.gz QUQXPRWNPKRVDV-HNNXBMFYSA-N 1 3 320.437 0.722 20 0 DCADHO CNC(=O)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176947958 770250229 /nfs/dbraw/zinc/25/02/29/770250229.db2.gz ABNOWAAQNSDCKR-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO COc1ncc(C[NH2+]CCCNC(=O)CN(C)C(C)C)c(C)n1 ZINC001176980838 770270507 /nfs/dbraw/zinc/27/05/07/770270507.db2.gz SEHWPMIVOOGPDR-UHFFFAOYSA-N 1 3 323.441 0.730 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001176986232 770271177 /nfs/dbraw/zinc/27/11/77/770271177.db2.gz ILIMEVKCIPBWSQ-ZDUSSCGKSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986767 770273991 /nfs/dbraw/zinc/27/39/91/770273991.db2.gz VNYOLVCAVONQBP-UONOGXRCSA-N 1 3 314.474 0.726 20 0 DCADHO CCOC(=O)c1c[nH]c2ncnc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c12 ZINC001155541668 770538399 /nfs/dbraw/zinc/53/83/99/770538399.db2.gz ONALUQAVSBLYJS-RFAUZJTJSA-N 1 3 317.349 0.677 20 0 DCADHO COC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150793296 770700269 /nfs/dbraw/zinc/70/02/69/770700269.db2.gz DWQWLLKBTGCIGQ-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO COC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150793296 770700279 /nfs/dbraw/zinc/70/02/79/770700279.db2.gz DWQWLLKBTGCIGQ-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374335 770798303 /nfs/dbraw/zinc/79/83/03/770798303.db2.gz OPYGYCJMTZJCHQ-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374335 770798307 /nfs/dbraw/zinc/79/83/07/770798307.db2.gz OPYGYCJMTZJCHQ-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902323 770898719 /nfs/dbraw/zinc/89/87/19/770898719.db2.gz LFACZBLWIMDUTF-CFVMTHIKSA-N 1 3 313.442 0.057 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001178902566 770898957 /nfs/dbraw/zinc/89/89/57/770898957.db2.gz WLNPSQUFFKQSTG-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cccc2[nH]nc(N)c21 ZINC001156753866 770913528 /nfs/dbraw/zinc/91/35/28/770913528.db2.gz WJNLPYMPMBVVOL-UHFFFAOYSA-N 1 3 317.397 0.823 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001179435154 771003773 /nfs/dbraw/zinc/00/37/73/771003773.db2.gz LLGCYPIXCFTUQQ-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CCn1cncn1 ZINC001179850989 771023405 /nfs/dbraw/zinc/02/34/05/771023405.db2.gz QDBZEOIFUQOMPA-UHFFFAOYSA-N 1 3 324.473 0.886 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968374 771048736 /nfs/dbraw/zinc/04/87/36/771048736.db2.gz SBXQFGZPSLZOMB-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180132156 771060785 /nfs/dbraw/zinc/06/07/85/771060785.db2.gz UYNJIDGORJORCJ-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180132169 771061269 /nfs/dbraw/zinc/06/12/69/771061269.db2.gz VJEFAEIQBXGUNV-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC ZINC001180123609 771065375 /nfs/dbraw/zinc/06/53/75/771065375.db2.gz IRKRSZDCQBNBNH-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+][C@H](C)C(N)=O ZINC001180123215 771065611 /nfs/dbraw/zinc/06/56/11/771065611.db2.gz BDQVSZQCDCZVML-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180124968 771066339 /nfs/dbraw/zinc/06/63/39/771066339.db2.gz WZVGGQLNYFKHIL-YDHLFZDLSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180124968 771066344 /nfs/dbraw/zinc/06/63/44/771066344.db2.gz WZVGGQLNYFKHIL-YDHLFZDLSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H]1C ZINC001180223077 771076424 /nfs/dbraw/zinc/07/64/24/771076424.db2.gz ZJEASQDYNDLZKN-ZFWWWQNUSA-N 1 3 307.442 0.839 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001181441089 771291983 /nfs/dbraw/zinc/29/19/83/771291983.db2.gz LCWHUPVHDMBPDH-BFYDXBDKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653438 771326907 /nfs/dbraw/zinc/32/69/07/771326907.db2.gz ZNGXEVGHZXLABB-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001181801166 771352443 /nfs/dbraw/zinc/35/24/43/771352443.db2.gz OJGAWWGAGDXTTD-IVMMDQJWSA-N 1 3 312.458 0.132 20 0 DCADHO COCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCN(C)CC1 ZINC001182014942 771396009 /nfs/dbraw/zinc/39/60/09/771396009.db2.gz VTUYBAWRMJNSSV-MRXNPFEDSA-N 1 3 309.454 0.897 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183040418 771596231 /nfs/dbraw/zinc/59/62/31/771596231.db2.gz RYRLTVUAJKTCJV-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183040418 771596235 /nfs/dbraw/zinc/59/62/35/771596235.db2.gz RYRLTVUAJKTCJV-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO COc1cc2c(cc1OC)[C@H](CNC(=O)[C@@H](N)CCC[NH3+])C2 ZINC001157424749 771607399 /nfs/dbraw/zinc/60/73/99/771607399.db2.gz XUBFVRFCRSKDIG-AAEUAGOBSA-N 1 3 307.394 0.526 20 0 DCADHO N[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C[C@H]1F ZINC001157544719 771629248 /nfs/dbraw/zinc/62/92/48/771629248.db2.gz IEQMKPHKHKPGMJ-PWXKEOIMSA-N 1 3 318.396 0.220 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001157714910 771657526 /nfs/dbraw/zinc/65/75/26/771657526.db2.gz AGSBSHQKEVXZAH-HOTGVXAUSA-N 1 3 303.406 0.538 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)C(N)=O)C1 ZINC001183509799 771657851 /nfs/dbraw/zinc/65/78/51/771657851.db2.gz OMJKRVHIHXPATM-XJKCOSOUSA-N 1 3 312.458 0.275 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183648665 771675782 /nfs/dbraw/zinc/67/57/82/771675782.db2.gz XYEKHECHBVPDDA-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157900462 771688881 /nfs/dbraw/zinc/68/88/81/771688881.db2.gz JRISKKSFWSUQGV-GOEBONIOSA-N 1 3 309.454 0.872 20 0 DCADHO C[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157900462 771688885 /nfs/dbraw/zinc/68/88/85/771688885.db2.gz JRISKKSFWSUQGV-GOEBONIOSA-N 1 3 309.454 0.872 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)N(C)C ZINC001183940450 771719344 /nfs/dbraw/zinc/71/93/44/771719344.db2.gz VVPDECNQOBDDTN-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158091540 771725118 /nfs/dbraw/zinc/72/51/18/771725118.db2.gz FEFWVMURKVCMNW-AWEZNQCLSA-N 1 3 310.442 0.350 20 0 DCADHO N[C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1Cc2ccccc2C1 ZINC001158166605 771733231 /nfs/dbraw/zinc/73/32/31/771733231.db2.gz AJIRZFDYODMKEQ-ZACQAIPSSA-N 1 3 315.417 0.176 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158328072 771760535 /nfs/dbraw/zinc/76/05/35/771760535.db2.gz SFHQPYLJYABJLW-LZLYRXPVSA-N 1 3 315.417 0.589 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC001158505662 771784067 /nfs/dbraw/zinc/78/40/67/771784067.db2.gz FGRVZPKZDWLMTG-UKRRQHHQSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC001158505662 771784068 /nfs/dbraw/zinc/78/40/68/771784068.db2.gz FGRVZPKZDWLMTG-UKRRQHHQSA-N 1 3 322.409 0.442 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)C[C@@H]3CCNC[C@H]3F)C[C@H]2CF)CC1 ZINC001158577164 771792011 /nfs/dbraw/zinc/79/20/11/771792011.db2.gz GVRYRPKSTGXQOU-UMSGYPCISA-N 1 3 301.381 0.860 20 0 DCADHO CN1CCC(N(c2ccc(C(N)=O)nn2)C2CC[NH2+]CC2)CC1 ZINC001158575406 771792261 /nfs/dbraw/zinc/79/22/61/771792261.db2.gz ONNFYVGDOOILNZ-UHFFFAOYSA-N 1 3 318.425 0.228 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876588 771841071 /nfs/dbraw/zinc/84/10/71/771841071.db2.gz KZVYVLZXPZHSDH-BFHYXJOUSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(=O)N(C)C ZINC001185166759 771871745 /nfs/dbraw/zinc/87/17/45/771871745.db2.gz KTVWRXXWMYKDOG-ZQDZILKHSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(=O)N(C)C ZINC001185166759 771871750 /nfs/dbraw/zinc/87/17/50/771871750.db2.gz KTVWRXXWMYKDOG-ZQDZILKHSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc3c(n2)CCNC3)O1 ZINC001159238228 771881453 /nfs/dbraw/zinc/88/14/53/771881453.db2.gz JBOPIGQBMXSNIV-MCIONIFRSA-N 1 3 307.398 0.259 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001185239044 771883869 /nfs/dbraw/zinc/88/38/69/771883869.db2.gz YJYOALPWDUZFPR-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401629 771911767 /nfs/dbraw/zinc/91/17/67/771911767.db2.gz VUQUDKYJAKRHRS-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001185445955 771915778 /nfs/dbraw/zinc/91/57/78/771915778.db2.gz HESONQGKXPPBIG-UKRRQHHQSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](Nc1nccc(N2CCC([NH3+])CC2)n1)[C@H]1CNCCO1 ZINC001159496648 771919314 /nfs/dbraw/zinc/91/93/14/771919314.db2.gz DUBSGUFLWJGCBL-WCQYABFASA-N 1 3 306.414 0.193 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001185659134 771941404 /nfs/dbraw/zinc/94/14/04/771941404.db2.gz DVFKIWKNGJNKHI-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NCC2CCC2)CCC1 ZINC001159853642 771968581 /nfs/dbraw/zinc/96/85/81/771968581.db2.gz GNVGVPMQMYZFRX-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)n1 ZINC001159915508 771976707 /nfs/dbraw/zinc/97/67/07/771976707.db2.gz KEAXWIPLEAXFPB-HNNXBMFYSA-N 1 3 323.441 0.747 20 0 DCADHO CCO[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001185926643 771976781 /nfs/dbraw/zinc/97/67/81/771976781.db2.gz YUIPCWDJJWRYFW-HIFRSBDPSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C1CC1 ZINC001159931425 771979541 /nfs/dbraw/zinc/97/95/41/771979541.db2.gz CKXYXLBIAZBNEH-LRDDRELGSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360864 772028196 /nfs/dbraw/zinc/02/81/96/772028196.db2.gz XQSKLCUTGLZVRZ-CZUORRHYSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360864 772028203 /nfs/dbraw/zinc/02/82/03/772028203.db2.gz XQSKLCUTGLZVRZ-CZUORRHYSA-N 1 3 309.454 0.846 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554349 772054674 /nfs/dbraw/zinc/05/46/74/772054674.db2.gz BVPOCDSGHFDMJK-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](c2ccccc2F)C1 ZINC001160534983 772059912 /nfs/dbraw/zinc/05/99/12/772059912.db2.gz MDBLDBOJECFKKE-OCCSQVGLSA-N 1 3 303.381 0.951 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160581576 772070517 /nfs/dbraw/zinc/07/05/17/772070517.db2.gz GUMBBUBTKTWVEB-ZIAGYGMSSA-N 1 3 323.437 0.805 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160581576 772070523 /nfs/dbraw/zinc/07/05/23/772070523.db2.gz GUMBBUBTKTWVEB-ZIAGYGMSSA-N 1 3 323.437 0.805 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC(c2ncccn2)CC1 ZINC001160588962 772072788 /nfs/dbraw/zinc/07/27/88/772072788.db2.gz LAPGELKRXDYSLZ-LBPRGKRZSA-N 1 3 309.439 0.202 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N[C@H](C)C2CC2)C1 ZINC001186817397 772094987 /nfs/dbraw/zinc/09/49/87/772094987.db2.gz QZSKRUDGOHJGPK-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N[C@H](C)C2CC2)C1 ZINC001186817397 772094994 /nfs/dbraw/zinc/09/49/94/772094994.db2.gz QZSKRUDGOHJGPK-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(n2ccnc2)CC1 ZINC001160725502 772103654 /nfs/dbraw/zinc/10/36/54/772103654.db2.gz BKXVDVYLIVZESP-HNNXBMFYSA-N 1 3 317.437 0.921 20 0 DCADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160819259 772115468 /nfs/dbraw/zinc/11/54/68/772115468.db2.gz BFIFATBIOIADSL-AHLTXXRQSA-N 1 3 309.410 0.113 20 0 DCADHO N[C@H](C(=O)N1CCC(Oc2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001160889879 772132897 /nfs/dbraw/zinc/13/28/97/772132897.db2.gz FHDRQZPZXHTVSX-HNNXBMFYSA-N 1 3 319.409 0.173 20 0 DCADHO CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001161009224 772148505 /nfs/dbraw/zinc/14/85/05/772148505.db2.gz BCXQBTFHRNMMSA-STQMWFEESA-N 1 3 323.437 0.518 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001187276471 772159038 /nfs/dbraw/zinc/15/90/38/772159038.db2.gz LTVMXHFGDLRIHR-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001187276471 772159040 /nfs/dbraw/zinc/15/90/40/772159040.db2.gz LTVMXHFGDLRIHR-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161065696 772161012 /nfs/dbraw/zinc/16/10/12/772161012.db2.gz YQJVQMMBAUTGJY-CRWXNKLISA-N 1 3 312.458 0.593 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001187328500 772167037 /nfs/dbraw/zinc/16/70/37/772167037.db2.gz HSQLSFFSNWWZNA-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])Cc2nnc(C(F)(F)F)n21 ZINC001161146781 772175420 /nfs/dbraw/zinc/17/54/20/772175420.db2.gz SDFZYBZECDNDBD-YUMQZZPRSA-N 1 3 320.319 0.266 20 0 DCADHO COC(=O)c1ccc(C2CN(C(=O)[C@@H](N)CCC[NH3+])C2)cc1 ZINC001161221997 772186316 /nfs/dbraw/zinc/18/63/16/772186316.db2.gz SCLADKHJZZIYJL-AWEZNQCLSA-N 1 3 305.378 0.465 20 0 DCADHO CN1CCNC[C@H]1C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161276192 772195602 /nfs/dbraw/zinc/19/56/02/772195602.db2.gz QIXOLCZSYNCGPQ-HOTGVXAUSA-N 1 3 317.437 0.066 20 0 DCADHO CCCCOC(=O)[C@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161459745 772226587 /nfs/dbraw/zinc/22/65/87/772226587.db2.gz BMBUIPYGWYTHOO-KBPBESRZSA-N 1 3 311.426 0.505 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001161470781 772228922 /nfs/dbraw/zinc/22/89/22/772228922.db2.gz KFLICUCTEKQRPC-NEPJUHHUSA-N 1 3 304.385 0.385 20 0 DCADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001161577471 772247653 /nfs/dbraw/zinc/24/76/53/772247653.db2.gz VDOOYQKRWNEFKB-ZDUSSCGKSA-N 1 3 320.393 0.209 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188100523 772266296 /nfs/dbraw/zinc/26/62/96/772266296.db2.gz VFYSMGVRFWCEAO-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO c1cc(N2CC[NH2+]CC2)nc(NCc2noc3c2CNCC3)n1 ZINC001163124646 772468002 /nfs/dbraw/zinc/46/80/02/772468002.db2.gz QEOTZUCTEKUNOO-UHFFFAOYSA-N 1 3 315.381 0.132 20 0 DCADHO c1cnc(NCc2noc3c2CNCC3)c(N2CC[NH2+]CC2)c1 ZINC001163126142 772468100 /nfs/dbraw/zinc/46/81/00/772468100.db2.gz MTSMIPRUMPXSPI-UHFFFAOYSA-N 1 3 314.393 0.737 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccn(C(F)F)n1 ZINC001189460250 772481545 /nfs/dbraw/zinc/48/15/45/772481545.db2.gz GHDYSSZEOXYOPR-UHFFFAOYSA-N 1 3 302.329 0.956 20 0 DCADHO Cc1cc(CN)nn1-c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001163985147 772601954 /nfs/dbraw/zinc/60/19/54/772601954.db2.gz JNFQZCSONZSOIS-OAHLLOKOSA-N 1 3 311.389 0.790 20 0 DCADHO CN(C)C1(C)CN(c2ccc(OCC3CC[NH2+]CC3)nn2)C1 ZINC001165121793 772698103 /nfs/dbraw/zinc/69/81/03/772698103.db2.gz LXLKNAYWFSIWNC-UHFFFAOYSA-N 1 3 305.426 0.995 20 0 DCADHO CN(C)Cc1ccoc1C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001165246505 772710044 /nfs/dbraw/zinc/71/00/44/772710044.db2.gz RREFLESUKXFGLF-UHFFFAOYSA-N 1 3 320.397 0.379 20 0 DCADHO CN(C)C1(C(=O)NCCC2(C[NH2+][C@H]3CCNC3=O)CC2)CCC1 ZINC001165465153 772740664 /nfs/dbraw/zinc/74/06/64/772740664.db2.gz VABLWXBTPUMEDU-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001165484748 772742045 /nfs/dbraw/zinc/74/20/45/772742045.db2.gz IJIMBSDNNQEPPD-UONOGXRCSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(=O)NC1CC1 ZINC001166626407 772830082 /nfs/dbraw/zinc/83/00/82/772830082.db2.gz FTGQOJAWXNMFLM-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO COc1cc(CNCCCNC(=O)C[N@@H+]2CCC[C@@H]2C)on1 ZINC001166627247 772831184 /nfs/dbraw/zinc/83/11/84/772831184.db2.gz SZLLYTNXJWUOIZ-LBPRGKRZSA-N 1 3 310.398 0.763 20 0 DCADHO COc1cc(CNCCCNC(=O)C[N@H+]2CCC[C@@H]2C)on1 ZINC001166627247 772831187 /nfs/dbraw/zinc/83/11/87/772831187.db2.gz SZLLYTNXJWUOIZ-LBPRGKRZSA-N 1 3 310.398 0.763 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001166634131 772831980 /nfs/dbraw/zinc/83/19/80/772831980.db2.gz OOWZHVBJIIYRSR-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667913 772836895 /nfs/dbraw/zinc/83/68/95/772836895.db2.gz LFOKVGFURVHUOX-CQSZACIVSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCN2CCCC2=O)C1 ZINC001166676798 772838202 /nfs/dbraw/zinc/83/82/02/772838202.db2.gz CSDXHYDDUJRWGP-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001166678565 772839352 /nfs/dbraw/zinc/83/93/52/772839352.db2.gz WISUFENLYCFMTA-LSDHHAIUSA-N 1 3 324.469 0.340 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001166852525 772871408 /nfs/dbraw/zinc/87/14/08/772871408.db2.gz SESITMCPUGFKSZ-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CN(CCO[C@H]1CC1(F)F)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169652 772878187 /nfs/dbraw/zinc/87/81/87/772878187.db2.gz BVYBVQQKMZJDTK-STQMWFEESA-N 1 3 319.396 0.895 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001192171382 772879991 /nfs/dbraw/zinc/87/99/91/772879991.db2.gz UYDXOYUFERZWTK-MRXNPFEDSA-N 1 3 321.469 0.984 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001205561433 773001303 /nfs/dbraw/zinc/00/13/03/773001303.db2.gz HWRQNECKDJGUOX-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1NC=C2C(=O)OCCC2=C1CN1CCCC[C@](O)(C[NH3+])C1 ZINC001205662962 773005295 /nfs/dbraw/zinc/00/52/95/773005295.db2.gz GGLVYJHDDFUDAA-SJCJKPOMSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001205662962 773005299 /nfs/dbraw/zinc/00/52/99/773005299.db2.gz GGLVYJHDDFUDAA-SJCJKPOMSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001205662962 773005301 /nfs/dbraw/zinc/00/53/01/773005301.db2.gz GGLVYJHDDFUDAA-SJCJKPOMSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001206273850 773060719 /nfs/dbraw/zinc/06/07/19/773060719.db2.gz AYHUETSHGQJHTC-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274257 773061831 /nfs/dbraw/zinc/06/18/31/773061831.db2.gz GIBSTJBATOJNFL-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCOCCO)C1 ZINC001193600456 773096053 /nfs/dbraw/zinc/09/60/53/773096053.db2.gz DHLBKNUQOQNAMN-OAHLLOKOSA-N 1 3 315.458 0.260 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCOCCO)C1 ZINC001193600456 773096057 /nfs/dbraw/zinc/09/60/57/773096057.db2.gz DHLBKNUQOQNAMN-OAHLLOKOSA-N 1 3 315.458 0.260 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC(=O)NCC)CC1 ZINC001206890248 773121750 /nfs/dbraw/zinc/12/17/50/773121750.db2.gz IGGDRKWJRXTEAW-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO O=C(C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)NC1CC1 ZINC001206928631 773137507 /nfs/dbraw/zinc/13/75/07/773137507.db2.gz CMTDCQLPMNXJHU-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203791944 773168953 /nfs/dbraw/zinc/16/89/53/773168953.db2.gz MJXXIBUSFXTBFP-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3CC2CC[NH+](C)CC2)cn1 ZINC001207396667 773199119 /nfs/dbraw/zinc/19/91/19/773199119.db2.gz PJVDESLOFASQEP-HZPDHXFCSA-N 1 3 317.437 0.942 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001207688863 773271696 /nfs/dbraw/zinc/27/16/96/773271696.db2.gz SYWOKEBRUUOOHC-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328902 773434129 /nfs/dbraw/zinc/43/41/29/773434129.db2.gz KELVOLQGJIMJQA-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334536 773435774 /nfs/dbraw/zinc/43/57/74/773435774.db2.gz JMFHSSALDZITAE-HOCLYGCPSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001208454041 773466680 /nfs/dbraw/zinc/46/66/80/773466680.db2.gz RJCZRLKMFNWYJT-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829672 773489357 /nfs/dbraw/zinc/48/93/57/773489357.db2.gz UKLMTYPMDFNGTQ-KSLSASGISA-N 1 3 309.454 0.846 20 0 DCADHO CN(C)CCN1CCN(C)C2(CC[NH+](CCC3CC3)CC2)C1=O ZINC001208682365 773514930 /nfs/dbraw/zinc/51/49/30/773514930.db2.gz JEAMPTOAUUVPSC-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO C[N@H+](CCC(=O)N1CCC[C@@H](NCC(N)=O)C1)C1CCCCC1 ZINC001208759811 773525569 /nfs/dbraw/zinc/52/55/69/773525569.db2.gz VDACDKQGJLKALN-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@@H+](CCC(=O)N1CCC[C@@H](NCC(N)=O)C1)C1CCCCC1 ZINC001208759811 773525571 /nfs/dbraw/zinc/52/55/71/773525571.db2.gz VDACDKQGJLKALN-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO COC(=O)CCN(CCCC1OCCO1)CCC[NH+](C)C ZINC001209306137 773589167 /nfs/dbraw/zinc/58/91/67/773589167.db2.gz MRGDPRRXKBBNLH-UHFFFAOYSA-N 1 3 302.415 0.956 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209837336 773652321 /nfs/dbraw/zinc/65/23/21/773652321.db2.gz PQNXMBGGQJCYCL-CYBMUJFWSA-N 1 3 310.398 0.196 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951154 773662125 /nfs/dbraw/zinc/66/21/25/773662125.db2.gz JFZWOMVANBKZOU-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1C ZINC001210041889 773670055 /nfs/dbraw/zinc/67/00/55/773670055.db2.gz XAHQGJBABOWAHH-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCn2cccn2)C[C@H]1C ZINC001210041889 773670061 /nfs/dbraw/zinc/67/00/61/773670061.db2.gz XAHQGJBABOWAHH-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217121 773685593 /nfs/dbraw/zinc/68/55/93/773685593.db2.gz CVYITEAGLWDSIE-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001210218878 773686586 /nfs/dbraw/zinc/68/65/86/773686586.db2.gz QRGURQRRVYJNFV-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001210221291 773687228 /nfs/dbraw/zinc/68/72/28/773687228.db2.gz ZFTRNIKQTGKYNJ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001210482121 773711063 /nfs/dbraw/zinc/71/10/63/773711063.db2.gz KTKXMYGDOPWZBS-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001210482121 773711068 /nfs/dbraw/zinc/71/10/68/773711068.db2.gz KTKXMYGDOPWZBS-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001210750354 773734418 /nfs/dbraw/zinc/73/44/18/773734418.db2.gz CIMHGKSIRMFMPX-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCOCCOC)C1 ZINC001210811154 773742011 /nfs/dbraw/zinc/74/20/11/773742011.db2.gz KIBWAGYFAFKPPE-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211063979 773765184 /nfs/dbraw/zinc/76/51/84/773765184.db2.gz FLQPMLCLEOPLDZ-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211063979 773765188 /nfs/dbraw/zinc/76/51/88/773765188.db2.gz FLQPMLCLEOPLDZ-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064190 773765474 /nfs/dbraw/zinc/76/54/74/773765474.db2.gz JSNXKETWFMBREW-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064190 773765479 /nfs/dbraw/zinc/76/54/79/773765479.db2.gz JSNXKETWFMBREW-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001211064662 773765567 /nfs/dbraw/zinc/76/55/67/773765567.db2.gz PHGIGLNTRVOFAS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001211064662 773765572 /nfs/dbraw/zinc/76/55/72/773765572.db2.gz PHGIGLNTRVOFAS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211071684 773766837 /nfs/dbraw/zinc/76/68/37/773766837.db2.gz LCHNBHZSCHGOIZ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211071684 773766840 /nfs/dbraw/zinc/76/68/40/773766840.db2.gz LCHNBHZSCHGOIZ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001214953035 774028239 /nfs/dbraw/zinc/02/82/39/774028239.db2.gz XPXYMLUSOIAZHU-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001215461074 774074808 /nfs/dbraw/zinc/07/48/08/774074808.db2.gz QRSKTKMWTJZERF-NQBHXWOUSA-N 1 3 308.430 0.562 20 0 DCADHO N#Cc1ccc([C@H](O)CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000402126519 774076293 /nfs/dbraw/zinc/07/62/93/774076293.db2.gz DVFNSVMOJHLYMK-DLBZAZTESA-N 1 3 300.406 0.571 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cncnc1Br ZINC001218569807 774250659 /nfs/dbraw/zinc/25/06/59/774250659.db2.gz CNBMMHAFXNVPBT-ZETCQYMHSA-N 1 3 302.176 0.634 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788484 774199238 /nfs/dbraw/zinc/19/92/38/774199238.db2.gz RNLJOFCHXKVITI-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO c1cc(CN2CC[NH2+]CC2)cc(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)c1 ZINC001218130339 774213238 /nfs/dbraw/zinc/21/32/38/774213238.db2.gz YIWGNEOWEGFCHJ-RCCFBDPRSA-N 1 3 317.433 0.990 20 0 DCADHO Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)on1 ZINC001218502472 774230464 /nfs/dbraw/zinc/23/04/64/774230464.db2.gz ZGVCOXABFLNIIX-RISCZKNCSA-N 1 3 306.410 0.904 20 0 DCADHO Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)on1 ZINC001218502472 774230467 /nfs/dbraw/zinc/23/04/67/774230467.db2.gz ZGVCOXABFLNIIX-RISCZKNCSA-N 1 3 306.410 0.904 20 0 DCADHO CSc1nnc(NC(=O)[C@@H](N)CCCC[NH3+])c(SC)n1 ZINC001218523077 774236238 /nfs/dbraw/zinc/23/62/38/774236238.db2.gz DQUHTWPNLPXALF-ZETCQYMHSA-N 1 3 316.456 0.710 20 0 DCADHO COC(=O)c1cnc(NC(=O)[C@@H](N)CCC[NH3+])c(Cl)c1 ZINC001218595515 774259128 /nfs/dbraw/zinc/25/91/28/774259128.db2.gz MDEVMKBTHYERHS-VIFPVBQESA-N 1 3 300.746 0.526 20 0 DCADHO COC(=O)c1c[nH]c2ncc(NC(=O)[C@@H](N)CCC[NH3+])cc12 ZINC001218613802 774263180 /nfs/dbraw/zinc/26/31/80/774263180.db2.gz RTHVPEZKXWOQCC-NSHDSACASA-N 1 3 305.338 0.354 20 0 DCADHO N[C@@H](C(=O)Nc1cccnc1OC1COC1)C1CC[NH2+]CC1 ZINC001218619646 774265174 /nfs/dbraw/zinc/26/51/74/774265174.db2.gz GQPIFLUVAXIXMO-CYBMUJFWSA-N 1 3 306.366 0.125 20 0 DCADHO N[C@H](C(=O)Nc1cncc(C[NH3+])c1)C1CCC2(CC1)OCCO2 ZINC001218705487 774284741 /nfs/dbraw/zinc/28/47/41/774284741.db2.gz QZFRYTSUBAFNJB-AWEZNQCLSA-N 1 3 320.393 0.739 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccc[nH]1 ZINC001218716369 774287707 /nfs/dbraw/zinc/28/77/07/774287707.db2.gz MBMVMIJFHHWVHA-RYUDHWBXSA-N 1 3 307.398 0.401 20 0 DCADHO O=C(Nc1cnccc1OC(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218740061 774292353 /nfs/dbraw/zinc/29/23/53/774292353.db2.gz OZGGLJWJHYBMBN-YMTOWFKASA-N 1 3 312.320 0.821 20 0 DCADHO COC(=O)c1n[nH]c2cccc(NC(=O)[C@H](N)CCC[NH3+])c21 ZINC001218935102 774330555 /nfs/dbraw/zinc/33/05/55/774330555.db2.gz XPHZODTXWDQPBN-MRVPVSSYSA-N 1 3 305.338 0.354 20 0 DCADHO COCCOc1cccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218950578 774334710 /nfs/dbraw/zinc/33/47/10/774334710.db2.gz ADOOFBYRAMJNJQ-CQSZACIVSA-N 1 3 305.378 0.459 20 0 DCADHO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)Nc1ccc2c(c1)CNCCO2 ZINC001219028318 774349965 /nfs/dbraw/zinc/34/99/65/774349965.db2.gz ZIXFYPIUCPRJPL-JGGQBBKZSA-N 1 3 317.389 0.874 20 0 DCADHO CO[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219029789 774350113 /nfs/dbraw/zinc/35/01/13/774350113.db2.gz NUTWLRVKUHQJML-UONOGXRCSA-N 1 3 305.378 0.874 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369806 774468278 /nfs/dbraw/zinc/46/82/78/774468278.db2.gz QAAWAKUOZMPLBW-AWEZNQCLSA-N 1 3 318.421 0.857 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)cn1 ZINC001219642159 774569786 /nfs/dbraw/zinc/56/97/86/774569786.db2.gz PLUKNCHJDIALCY-SCRDCRAPSA-N 1 3 306.410 0.842 20 0 DCADHO O=C(NC1CC2(C1)CC[NH2+]CC2)c1ccc2c(n1)CCNC2 ZINC001219784936 774606559 /nfs/dbraw/zinc/60/65/59/774606559.db2.gz VOVNPHBFNZWQRN-UHFFFAOYSA-N 1 3 300.406 0.989 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219784911 774606717 /nfs/dbraw/zinc/60/67/17/774606717.db2.gz UUJZKDLFBPQGJT-WFASDCNBSA-N 1 3 316.409 0.007 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)N(C)C ZINC001219847052 774626495 /nfs/dbraw/zinc/62/64/95/774626495.db2.gz QBMPILCLGLGVFJ-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)N(C)C ZINC001219847052 774626498 /nfs/dbraw/zinc/62/64/98/774626498.db2.gz QBMPILCLGLGVFJ-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO [NH3+]CCc1ccc(CC(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)cc1 ZINC001219850475 774627240 /nfs/dbraw/zinc/62/72/40/774627240.db2.gz VGUIKJRCXZGMCT-YQQAZPJKSA-N 1 3 303.406 0.366 20 0 DCADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219998744 774664510 /nfs/dbraw/zinc/66/45/10/774664510.db2.gz AKZIVJTVDUZWTM-JYJNAYRXSA-N 1 3 303.406 0.663 20 0 DCADHO O=C(NC[C@@H](O)c1ccc(O)cc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220113094 774697550 /nfs/dbraw/zinc/69/75/50/774697550.db2.gz JTWWWKKJGDBCTN-HUUCEWRRSA-N 1 3 319.405 0.416 20 0 DCADHO O=C(NC[C@@H](O)c1ccc(O)cc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220113094 774697553 /nfs/dbraw/zinc/69/75/53/774697553.db2.gz JTWWWKKJGDBCTN-HUUCEWRRSA-N 1 3 319.405 0.416 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CCNCC1(F)F ZINC001220189377 774728138 /nfs/dbraw/zinc/72/81/38/774728138.db2.gz PVZKKPRXNGRUOY-OLZOCXBDSA-N 1 3 320.428 0.843 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220221071 774738747 /nfs/dbraw/zinc/73/87/47/774738747.db2.gz PHGMREPJJKCHLY-ABHRYQDASA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)Oc1ccc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001220280024 774755224 /nfs/dbraw/zinc/75/52/24/774755224.db2.gz KPCIYGMSJIEPQT-MRXNPFEDSA-N 1 3 317.433 0.942 20 0 DCADHO COc1ccc(CSC[C@H](N)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC001220282422 774756651 /nfs/dbraw/zinc/75/66/51/774756651.db2.gz KBTHOPKCEJMZIU-JSGCOSHPSA-N 1 3 309.435 0.734 20 0 DCADHO CC1(C)C[NH2+][C@@](C)(C(=O)NCc2ncn3c2CNCCC3)C1 ZINC001220311324 774765912 /nfs/dbraw/zinc/76/59/12/774765912.db2.gz MLTLPBVKQOLBQE-MRXNPFEDSA-N 1 3 305.426 0.771 20 0 DCADHO C[NH2+]C1CCC(C(=O)NCc2ncn3c2CNCCC3)CC1 ZINC001220311949 774767238 /nfs/dbraw/zinc/76/72/38/774767238.db2.gz UQGDWGXFCGQDEE-UHFFFAOYSA-N 1 3 305.426 0.771 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220341506 774778700 /nfs/dbraw/zinc/77/87/00/774778700.db2.gz ZFWDFXDXSQNOAG-ZDUSSCGKSA-N 1 3 307.398 0.381 20 0 DCADHO COc1cc2c(cc1C)C[C@@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001220379513 774788803 /nfs/dbraw/zinc/78/88/03/774788803.db2.gz WJMZMUAQZINUNF-HUUCEWRRSA-N 1 3 315.417 0.396 20 0 DCADHO COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)[C@H](N)CCC[NH3+] ZINC001220408438 774799980 /nfs/dbraw/zinc/79/99/80/774799980.db2.gz DUWJBWTYZKCJFL-GXFFZTMASA-N 1 3 320.393 0.303 20 0 DCADHO COCCOc1ccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001220458266 774815974 /nfs/dbraw/zinc/81/59/74/774815974.db2.gz LWLOJOMCFPATOC-OAHLLOKOSA-N 1 3 322.409 0.050 20 0 DCADHO N=C(N)N(C(=O)[C@@H]1CC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC001220460610 774817358 /nfs/dbraw/zinc/81/73/58/774817358.db2.gz SQWUPPLUDRBXEQ-ZDUSSCGKSA-N 1 3 303.366 0.112 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001220517347 774832557 /nfs/dbraw/zinc/83/25/57/774832557.db2.gz HRUQEQSFTWQMIS-MRXNPFEDSA-N 1 3 320.481 0.861 20 0 DCADHO COC(=O)C[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cccnc1 ZINC001220530445 774837672 /nfs/dbraw/zinc/83/76/72/774837672.db2.gz QMKGRCKZRQSSGE-UKRRQHHQSA-N 1 3 320.393 0.129 20 0 DCADHO O=C(N[C@H]1CNc2ccccc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220598699 774860158 /nfs/dbraw/zinc/86/01/58/774860158.db2.gz AJFIBFFRWLCWCC-CKEIUWERSA-N 1 3 300.406 0.339 20 0 DCADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220661376 774880485 /nfs/dbraw/zinc/88/04/85/774880485.db2.gz ZNMQZMOVQWKCND-NFFDBFGFSA-N 1 3 309.410 0.034 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc(-c2ccncc2)n[nH]1 ZINC001220693590 774893024 /nfs/dbraw/zinc/89/30/24/774893024.db2.gz DCHXOQUIAWYYDS-LBPRGKRZSA-N 1 3 320.422 0.107 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NC[C@@H]1CN(c2ccccc2)CCO1 ZINC001220736163 774905267 /nfs/dbraw/zinc/90/52/67/774905267.db2.gz CIFMBEYZTWFZSS-HUUCEWRRSA-N 1 3 306.410 0.074 20 0 DCADHO CC(=O)NC[C@@H](C)CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220757111 774908495 /nfs/dbraw/zinc/90/84/95/774908495.db2.gz UNSNJPKYFZTWFE-OCCSQVGLSA-N 1 3 300.447 0.370 20 0 DCADHO CCCCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764402 774911661 /nfs/dbraw/zinc/91/16/61/774911661.db2.gz KBGVCAYLRBLNOR-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786274 774914455 /nfs/dbraw/zinc/91/44/55/774914455.db2.gz SWLGVBWDBAJOJB-NWANDNLSSA-N 1 3 314.393 0.142 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786274 774914459 /nfs/dbraw/zinc/91/44/59/774914459.db2.gz SWLGVBWDBAJOJB-NWANDNLSSA-N 1 3 314.393 0.142 20 0 DCADHO NC(C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)C(F)(F)F ZINC001220789041 774915378 /nfs/dbraw/zinc/91/53/78/774915378.db2.gz ITNKIZIXEVGBBO-GMTAPVOTSA-N 1 3 302.300 0.738 20 0 DCADHO N[C@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]C1 ZINC001220926194 774954167 /nfs/dbraw/zinc/95/41/67/774954167.db2.gz APJCBFTYMLGZDW-QGZVFWFLSA-N 1 3 317.437 0.101 20 0 DCADHO O=C(N[C@@H]1CCCc2nccnc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220949209 774959891 /nfs/dbraw/zinc/95/98/91/774959891.db2.gz UTPMJKSSEZBGKA-AXAPSJFSSA-N 1 3 301.394 0.169 20 0 DCADHO COc1cccc(C2(NC(=O)[C@@](C)(N)CO)CC[NH2+]CC2)c1 ZINC001221094343 774994369 /nfs/dbraw/zinc/99/43/69/774994369.db2.gz QSDZCFWPHCTDSS-HNNXBMFYSA-N 1 3 307.394 0.100 20 0 DCADHO N[C@@H](C(=O)NCc1ccn(CC(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001221107939 774997276 /nfs/dbraw/zinc/99/72/76/774997276.db2.gz MLLMYQQERLCFJP-LLVKDONJSA-N 1 3 319.331 0.389 20 0 DCADHO O=C(C[C@H]1CNCCO1)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124154 775000002 /nfs/dbraw/zinc/00/00/02/775000002.db2.gz YCBLXEXWPHEIQS-AWEZNQCLSA-N 1 3 304.394 0.155 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130321 775003968 /nfs/dbraw/zinc/00/39/68/775003968.db2.gz NBXMTVGGMAMRCG-STQMWFEESA-N 1 3 324.469 0.515 20 0 DCADHO O=C(N[C@H](c1ncccc1F)C1CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221218909 775031123 /nfs/dbraw/zinc/03/11/23/775031123.db2.gz IUSNLKUDXWJADH-HACGYAERSA-N 1 3 318.396 0.987 20 0 DCADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001221358871 775077281 /nfs/dbraw/zinc/07/72/81/775077281.db2.gz RYOTYYUFRUAAFC-KBPBESRZSA-N 1 3 314.474 0.306 20 0 DCADHO CCCC(C[NH3+])(CCC)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001221373232 775080274 /nfs/dbraw/zinc/08/02/74/775080274.db2.gz GFNNUGQGNDWZIN-ZDUSSCGKSA-N 1 3 312.458 0.740 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CNC[C@@H](F)C3)CC2)[NH2+]C1 ZINC001221390263 775083220 /nfs/dbraw/zinc/08/32/20/775083220.db2.gz CIJJOMYPXZXLJJ-STQMWFEESA-N 1 3 308.401 0.502 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])CO3)CC2)NC1 ZINC001221391383 775083676 /nfs/dbraw/zinc/08/36/76/775083676.db2.gz MFFSHZZYXZCVJM-HIFRSBDPSA-N 1 3 306.410 0.061 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)C=C3CC[NH2+]CC3)CC2)NC1 ZINC001221393095 775084165 /nfs/dbraw/zinc/08/41/65/775084165.db2.gz VOPNVTVTHFAUOZ-UHFFFAOYSA-N 1 3 302.422 0.865 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CCSC12C[NH2+]C2 ZINC001221398444 775086711 /nfs/dbraw/zinc/08/67/11/775086711.db2.gz ZTSARAIOLOSIMD-GJZGRUSLSA-N 1 3 317.458 0.912 20 0 DCADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H](N)Cc2cncn2C)c1 ZINC001221403629 775088318 /nfs/dbraw/zinc/08/83/18/775088318.db2.gz DAJBQQZBVBEBSZ-GJZGRUSLSA-N 1 3 317.393 0.115 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001222088768 775265622 /nfs/dbraw/zinc/26/56/22/775265622.db2.gz XPXGCCZPNWSJQY-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)(CN1CCNC[C@@]2(CCCC[NH2+]2)C1)N1CCOCC1 ZINC001222669661 775410335 /nfs/dbraw/zinc/41/03/35/775410335.db2.gz XTXSYSPOEPFOEQ-KRWDZBQOSA-N 1 3 310.486 0.515 20 0 DCADHO CC(C)(CN1CCNC[C@]2(CCCC[NH2+]2)C1)N1CCOCC1 ZINC001222669676 775410786 /nfs/dbraw/zinc/41/07/86/775410786.db2.gz XTXSYSPOEPFOEQ-QGZVFWFLSA-N 1 3 310.486 0.515 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CCN([C@H]2CCCNC2=O)CC1 ZINC001224338595 775560449 /nfs/dbraw/zinc/56/04/49/775560449.db2.gz WTHOXNUCHCRTFX-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CCN(CCNC(=O)C2CC2)CC1 ZINC001224346092 775563210 /nfs/dbraw/zinc/56/32/10/775563210.db2.gz BSILKPAAKQTWNR-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC001225080523 775640463 /nfs/dbraw/zinc/64/04/63/775640463.db2.gz UJJJPAKUVOZZCC-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC001225080523 775640470 /nfs/dbraw/zinc/64/04/70/775640470.db2.gz UJJJPAKUVOZZCC-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC001227797892 776007645 /nfs/dbraw/zinc/00/76/45/776007645.db2.gz OTTWONMSHSTSBM-BBRMVZONSA-N 1 3 309.454 0.944 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227832155 776013632 /nfs/dbraw/zinc/01/36/32/776013632.db2.gz FAZTVSGSLYAOGS-OAHLLOKOSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001229185034 776166762 /nfs/dbraw/zinc/16/67/62/776166762.db2.gz GITSJSVIAVKVTF-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CC)CC(=O)NC1CC[NH+](CCOCCOC)CC1 ZINC001229678893 776212389 /nfs/dbraw/zinc/21/23/89/776212389.db2.gz MLIARCISQHJZOI-UHFFFAOYSA-N 1 3 315.458 0.572 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21)N(C)C ZINC001114848556 776242672 /nfs/dbraw/zinc/24/26/72/776242672.db2.gz BQIXUOMUPISOSG-XUWVNRHRSA-N 1 3 319.453 0.349 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21)N(C)C ZINC001114848556 776242680 /nfs/dbraw/zinc/24/26/80/776242680.db2.gz BQIXUOMUPISOSG-XUWVNRHRSA-N 1 3 319.453 0.349 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041711069 777443329 /nfs/dbraw/zinc/44/33/29/777443329.db2.gz BTAJKSANRAIFBZ-BBRMVZONSA-N 1 3 306.410 0.912 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041711069 777443330 /nfs/dbraw/zinc/44/33/30/777443330.db2.gz BTAJKSANRAIFBZ-BBRMVZONSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C\CNC(=O)CC[NH+](C)C)C1 ZINC001583562167 1166271244 /nfs/dbraw/zinc/27/12/44/1166271244.db2.gz YDWBUSFORRNFIL-WSNITJDQSA-N 1 3 310.442 0.069 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001317593484 945094244 /nfs/dbraw/zinc/09/42/44/945094244.db2.gz WXRPQMISHMFQCA-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001317593484 945094254 /nfs/dbraw/zinc/09/42/54/945094254.db2.gz WXRPQMISHMFQCA-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO C[NH+](C)CCNC(=O)[C@H]1CC12CCN(Cc1cnc[nH]1)CC2 ZINC001273024015 945200297 /nfs/dbraw/zinc/20/02/97/945200297.db2.gz UAKRULLSZPHIPX-CQSZACIVSA-N 1 3 305.426 0.690 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001266818414 939244012 /nfs/dbraw/zinc/24/40/12/939244012.db2.gz YEYRUFQLXJLIAA-UHFFFAOYSA-N 1 3 320.437 0.980 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCc1cnn(C)c1 ZINC001480975988 939508431 /nfs/dbraw/zinc/50/84/31/939508431.db2.gz PNNUIRGQJIWSDZ-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCc1cnn(C)c1 ZINC001480975988 939508432 /nfs/dbraw/zinc/50/84/32/939508432.db2.gz PNNUIRGQJIWSDZ-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001419759997 939531256 /nfs/dbraw/zinc/53/12/56/939531256.db2.gz HJQKLYBIIXRAKK-OLZOCXBDSA-N 1 3 300.447 0.240 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001481214943 939641357 /nfs/dbraw/zinc/64/13/57/939641357.db2.gz CPXFDQSTAGIIHX-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)C[NH2+]CCC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001267922582 939705560 /nfs/dbraw/zinc/70/55/60/939705560.db2.gz YBPSZDUKNAQRLP-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001481299134 939728239 /nfs/dbraw/zinc/72/82/39/939728239.db2.gz ZALRPNVFSHLICB-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCc1ccnn1C ZINC001268005011 939731182 /nfs/dbraw/zinc/73/11/82/939731182.db2.gz ZYXWCMOAZVGHQR-CABCVRRESA-N 1 3 321.469 0.646 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001481904396 940176527 /nfs/dbraw/zinc/17/65/27/940176527.db2.gz PPPBJUYCDZTXJM-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001268542047 940225686 /nfs/dbraw/zinc/22/56/86/940225686.db2.gz LEXZCZFSYAXYES-NMJJRHIFSA-N 1 3 322.453 0.257 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001268542047 940225688 /nfs/dbraw/zinc/22/56/88/940225688.db2.gz LEXZCZFSYAXYES-NMJJRHIFSA-N 1 3 322.453 0.257 20 0 DCADHO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCNC2)cc1 ZINC001245985179 945306464 /nfs/dbraw/zinc/30/64/64/945306464.db2.gz ZZVMAZVTODQXTM-HOTGVXAUSA-N 1 3 308.422 0.957 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001482139379 940280805 /nfs/dbraw/zinc/28/08/05/940280805.db2.gz UAICNHPFCYSXAZ-VXGBXAGGSA-N 1 3 322.457 0.858 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268597188 940289643 /nfs/dbraw/zinc/28/96/43/940289643.db2.gz QTDKDHRFVWGYBV-MFHOCJEASA-N 1 3 324.469 0.646 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268597188 940289644 /nfs/dbraw/zinc/28/96/44/940289644.db2.gz QTDKDHRFVWGYBV-MFHOCJEASA-N 1 3 324.469 0.646 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268613597 940299817 /nfs/dbraw/zinc/29/98/17/940299817.db2.gz OHCIXZYWARUJIX-MEWZEZIVSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268613597 940299818 /nfs/dbraw/zinc/29/98/18/940299818.db2.gz OHCIXZYWARUJIX-MEWZEZIVSA-N 1 3 310.442 0.067 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001268615315 940301085 /nfs/dbraw/zinc/30/10/85/940301085.db2.gz ACYJKSSNAKEDJQ-JLVOYYQZSA-N 1 3 310.442 0.065 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C/C=C\CNC(=O)CN2CCCC2)n1 ZINC001268624364 940307144 /nfs/dbraw/zinc/30/71/44/940307144.db2.gz AEXCSNKFEDYFCE-ARJAWSKDSA-N 1 3 319.453 0.858 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001268716562 940339503 /nfs/dbraw/zinc/33/95/03/940339503.db2.gz GSJHEWDBPGFAQO-HOCLYGCPSA-N 1 3 321.469 0.931 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001269085348 940612945 /nfs/dbraw/zinc/61/29/45/940612945.db2.gz ZUNVPJPBGRZLRA-YOEHRIQHSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246143366 945348318 /nfs/dbraw/zinc/34/83/18/945348318.db2.gz JZAAAYROAWYEET-JJRVBVJISA-N 1 3 324.469 0.134 20 0 DCADHO CN1CC[C@@H](NC[C@H]2CCCN2C(=O)CCCC[NH+](C)C)C1=O ZINC001270173560 940849197 /nfs/dbraw/zinc/84/91/97/940849197.db2.gz CUNQYSHQLIHGTH-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001270180250 940850772 /nfs/dbraw/zinc/85/07/72/940850772.db2.gz VUZGSOZAVGXKRR-LQDVMPOASA-N 1 3 322.409 0.684 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482284185 940890161 /nfs/dbraw/zinc/89/01/61/940890161.db2.gz VWJGHOFZILBHQR-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482284185 940890162 /nfs/dbraw/zinc/89/01/62/940890162.db2.gz VWJGHOFZILBHQR-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCC(O)(C(=O)N2CC3(C2)CC[N@@H+](C2CCCC2)C3)CC1 ZINC001271802553 941454812 /nfs/dbraw/zinc/45/48/12/941454812.db2.gz YABCRMXJEFWFLC-UHFFFAOYSA-N 1 3 321.465 0.920 20 0 DCADHO CN1CCC(O)(C(=O)N2CC3(C2)CC[N@H+](C2CCCC2)C3)CC1 ZINC001271802553 941454813 /nfs/dbraw/zinc/45/48/13/941454813.db2.gz YABCRMXJEFWFLC-UHFFFAOYSA-N 1 3 321.465 0.920 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCn1cncn1)C(C)C ZINC001482568591 941509087 /nfs/dbraw/zinc/50/90/87/941509087.db2.gz TXINLIVBIZIZEG-AWEZNQCLSA-N 1 3 319.413 0.283 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001482901765 941701855 /nfs/dbraw/zinc/70/18/55/941701855.db2.gz MJFVLDCIVADFOA-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001482935471 941717552 /nfs/dbraw/zinc/71/75/52/941717552.db2.gz ZEOBMVKTLHPCRR-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950230 941726987 /nfs/dbraw/zinc/72/69/87/941726987.db2.gz KAPYFBAWAPICLY-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482950230 941726991 /nfs/dbraw/zinc/72/69/91/941726991.db2.gz KAPYFBAWAPICLY-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483142232 941906610 /nfs/dbraw/zinc/90/66/10/941906610.db2.gz YUDBDJQROZKLAI-ZIAGYGMSSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594219 942027988 /nfs/dbraw/zinc/02/79/88/942027988.db2.gz RGJBWLFDLJVRLK-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594219 942027993 /nfs/dbraw/zinc/02/79/93/942027993.db2.gz RGJBWLFDLJVRLK-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1O ZINC001083594219 942027996 /nfs/dbraw/zinc/02/79/96/942027996.db2.gz RGJBWLFDLJVRLK-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001083594219 942028000 /nfs/dbraw/zinc/02/80/00/942028000.db2.gz RGJBWLFDLJVRLK-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCc1cnn(C)c1 ZINC001409573435 942063899 /nfs/dbraw/zinc/06/38/99/942063899.db2.gz YGLNGRQZXAWTDF-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCc1cnn(C)c1 ZINC001409573435 942063905 /nfs/dbraw/zinc/06/39/05/942063905.db2.gz YGLNGRQZXAWTDF-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001276321640 942085540 /nfs/dbraw/zinc/08/55/40/942085540.db2.gz ONZDKUOFJDXIFB-MRXNPFEDSA-N 1 3 306.410 0.002 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001276321640 942085544 /nfs/dbraw/zinc/08/55/44/942085544.db2.gz ONZDKUOFJDXIFB-MRXNPFEDSA-N 1 3 306.410 0.002 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc(=O)[nH]c4)CC3)[C@@H]2C1 ZINC001276346599 942095243 /nfs/dbraw/zinc/09/52/43/942095243.db2.gz BLVPFQSHJVICEE-ZIAGYGMSSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc(=O)[nH]c4)CC3)[C@@H]2C1 ZINC001276346599 942095249 /nfs/dbraw/zinc/09/52/49/942095249.db2.gz BLVPFQSHJVICEE-ZIAGYGMSSA-N 1 3 316.405 0.429 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C[C@H]1CCc2ncnn21 ZINC001409628271 942102046 /nfs/dbraw/zinc/10/20/46/942102046.db2.gz OBSIFKRBAOUPPO-CHWSQXEVSA-N 1 3 308.430 0.154 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001483282950 942236030 /nfs/dbraw/zinc/23/60/30/942236030.db2.gz DGQFWAYXQYLWFL-NWDGAFQWSA-N 1 3 310.442 0.077 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001413069919 942468570 /nfs/dbraw/zinc/46/85/70/942468570.db2.gz GGWWWTLHWWGFDM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001413069919 942468575 /nfs/dbraw/zinc/46/85/75/942468575.db2.gz GGWWWTLHWWGFDM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC1(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)COC1 ZINC001272528275 942806367 /nfs/dbraw/zinc/80/63/67/942806367.db2.gz SSZTWCUGJJQZFJ-KRWDZBQOSA-N 1 3 309.454 0.899 20 0 DCADHO CCC1(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)COC1 ZINC001272528275 942806369 /nfs/dbraw/zinc/80/63/69/942806369.db2.gz SSZTWCUGJJQZFJ-KRWDZBQOSA-N 1 3 309.454 0.899 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CCCC1 ZINC001484013952 943082868 /nfs/dbraw/zinc/08/28/68/943082868.db2.gz GDGCYNQHJUZLSW-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338507 943327017 /nfs/dbraw/zinc/32/70/17/943327017.db2.gz KXXDLRBZTYCWIA-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001484390743 943346591 /nfs/dbraw/zinc/34/65/91/943346591.db2.gz HNJRSNMBVCRMTI-XQLPTFJDSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001484390743 943346593 /nfs/dbraw/zinc/34/65/93/943346593.db2.gz HNJRSNMBVCRMTI-XQLPTFJDSA-N 1 3 322.453 0.173 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001484447431 943402439 /nfs/dbraw/zinc/40/24/39/943402439.db2.gz IXTDINDYCCKMTH-GOEBONIOSA-N 1 3 315.458 0.042 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001484447431 943402440 /nfs/dbraw/zinc/40/24/40/943402440.db2.gz IXTDINDYCCKMTH-GOEBONIOSA-N 1 3 315.458 0.042 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001484660397 943498241 /nfs/dbraw/zinc/49/82/41/943498241.db2.gz HUDATDRAAKBPGG-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001484660397 943498244 /nfs/dbraw/zinc/49/82/44/943498244.db2.gz HUDATDRAAKBPGG-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCCOC)C1)N(C)C ZINC001484681455 943503193 /nfs/dbraw/zinc/50/31/93/943503193.db2.gz XHVFYCHXCWOBBZ-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484904122 943621015 /nfs/dbraw/zinc/62/10/15/943621015.db2.gz IXKXRUCGWUTZLL-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001484907753 943623038 /nfs/dbraw/zinc/62/30/38/943623038.db2.gz WEFZYYHSWLGLNW-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001484907753 943623042 /nfs/dbraw/zinc/62/30/42/943623042.db2.gz WEFZYYHSWLGLNW-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCOCCO ZINC001485051478 943671991 /nfs/dbraw/zinc/67/19/91/943671991.db2.gz WTOFTXMFSXTIJA-GJZGRUSLSA-N 1 3 313.442 0.012 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCOCCO ZINC001485051478 943671993 /nfs/dbraw/zinc/67/19/93/943671993.db2.gz WTOFTXMFSXTIJA-GJZGRUSLSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1 ZINC001485110269 943701412 /nfs/dbraw/zinc/70/14/12/943701412.db2.gz BTWRZCZURQBEED-UHFFFAOYSA-N 1 3 308.430 0.140 20 0 DCADHO CCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485165052 943733532 /nfs/dbraw/zinc/73/35/32/943733532.db2.gz FBTCJAIYDNSZBP-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001491081177 943737547 /nfs/dbraw/zinc/73/75/47/943737547.db2.gz YSZZERFWBQLJRL-HZSPNIEDSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)CCn1cccn1 ZINC001485373120 943905848 /nfs/dbraw/zinc/90/58/48/943905848.db2.gz KKZZMEVCFOOZEX-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CCn1cccn1 ZINC001485373120 943905855 /nfs/dbraw/zinc/90/58/55/943905855.db2.gz KKZZMEVCFOOZEX-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001491482638 944035099 /nfs/dbraw/zinc/03/50/99/944035099.db2.gz YALNMHLAPOBNEH-GFCCVEGCSA-N 1 3 307.442 0.807 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC001491493524 944043562 /nfs/dbraw/zinc/04/35/62/944043562.db2.gz OICBNDHTIVYGNU-UKRRQHHQSA-N 1 3 312.458 0.147 20 0 DCADHO CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001485623356 944045333 /nfs/dbraw/zinc/04/53/33/944045333.db2.gz IXKGKLBIQWTEND-ZQDZILKHSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001485695572 944090558 /nfs/dbraw/zinc/09/05/58/944090558.db2.gz HYHNYSCVKRPHSN-UMVBOHGHSA-N 1 3 322.453 0.091 20 0 DCADHO CCN1CC[C@@H](N(C)C2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001485763923 944125472 /nfs/dbraw/zinc/12/54/72/944125472.db2.gz XOWJIIYIBFUQKA-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)C(=O)CN1CCC2(CN(C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001276497041 944191526 /nfs/dbraw/zinc/19/15/26/944191526.db2.gz QDYWXMURFDIJOJ-HNNXBMFYSA-N 1 3 308.470 0.424 20 0 DCADHO CN(C)C(=O)CN1CCC2(CN(C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001276497041 944191529 /nfs/dbraw/zinc/19/15/29/944191529.db2.gz QDYWXMURFDIJOJ-HNNXBMFYSA-N 1 3 308.470 0.424 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CC[N@H+](C[C@H]3CCCN(C)C3)[C@@H]2C1 ZINC001276497095 944193671 /nfs/dbraw/zinc/19/36/71/944193671.db2.gz RWSHSOIRGPWKNE-HRCADAONSA-N 1 3 308.470 0.423 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CC[N@@H+](C[C@H]3CCCN(C)C3)[C@@H]2C1 ZINC001276497095 944193675 /nfs/dbraw/zinc/19/36/75/944193675.db2.gz RWSHSOIRGPWKNE-HRCADAONSA-N 1 3 308.470 0.423 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CCN(C[C@H]3CCC[N@H+](C)C3)[C@@H]2C1 ZINC001276497095 944193678 /nfs/dbraw/zinc/19/36/78/944193678.db2.gz RWSHSOIRGPWKNE-HRCADAONSA-N 1 3 308.470 0.423 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CCN(C[C@H]3CCC[N@@H+](C)C3)[C@@H]2C1 ZINC001276497095 944193681 /nfs/dbraw/zinc/19/36/81/944193681.db2.gz RWSHSOIRGPWKNE-HRCADAONSA-N 1 3 308.470 0.423 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3cc[nH]c(=O)c3)C2)C1=O ZINC001272824937 944260858 /nfs/dbraw/zinc/26/08/58/944260858.db2.gz ZTGCWEBOKFFODY-QGZVFWFLSA-N 1 3 318.421 0.773 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3cc[nH]c(=O)c3)C2)C1=O ZINC001272824937 944260860 /nfs/dbraw/zinc/26/08/60/944260860.db2.gz ZTGCWEBOKFFODY-QGZVFWFLSA-N 1 3 318.421 0.773 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N(C)C ZINC001485908843 944396911 /nfs/dbraw/zinc/39/69/11/944396911.db2.gz YZMLYPMQGRHLII-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCCCO1)C1CCC1 ZINC001486003866 944489721 /nfs/dbraw/zinc/48/97/21/944489721.db2.gz HVHDWPXZXWEKCK-ZFWWWQNUSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N2CCCCC2)CCN1C(=O)CC[NH+](C)C ZINC001486084953 944544795 /nfs/dbraw/zinc/54/47/95/944544795.db2.gz NFGUYSNHQPNHDR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001316902063 944629073 /nfs/dbraw/zinc/62/90/73/944629073.db2.gz UWBLLSILJWBFOZ-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)CC[NH+]1CCCCC1)[C@@H]1CCNC1=O ZINC001316912052 944640387 /nfs/dbraw/zinc/64/03/87/944640387.db2.gz ZTRWWQRWDADWRZ-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(CC(=O)N1CCCC1)CC2 ZINC001277518174 944857723 /nfs/dbraw/zinc/85/77/23/944857723.db2.gz RKQDQPGPBRSVHA-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CN(C)CC[N@H+]1CCC2(C1)CCN(CC(=O)N1CCCC1)CC2 ZINC001277518174 944857729 /nfs/dbraw/zinc/85/77/29/944857729.db2.gz RKQDQPGPBRSVHA-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO C[C@H](C(=O)N(C)C)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001494157529 944904322 /nfs/dbraw/zinc/90/43/22/944904322.db2.gz OUWPRPGLOBAJTO-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](C(=O)N(C)C)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001494157528 944904998 /nfs/dbraw/zinc/90/49/98/944904998.db2.gz OUWPRPGLOBAJTO-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001317337383 944930343 /nfs/dbraw/zinc/93/03/43/944930343.db2.gz LQOPECDXUHOOCH-ZBFHGGJFSA-N 1 3 321.469 0.741 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001493600943 944997164 /nfs/dbraw/zinc/99/71/64/944997164.db2.gz SLAFIGJRVFPWNT-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCOC(=O)N1CCC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246416776 945407458 /nfs/dbraw/zinc/40/74/58/945407458.db2.gz LTGBPPVLXODADG-STQMWFEESA-N 1 3 314.430 0.570 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](N[C@H]2CCCC[C@H]2[NH3+])C[C@H]1C(=O)OC ZINC001246479284 945417152 /nfs/dbraw/zinc/41/71/52/945417152.db2.gz STDFYFBQEIFEBX-KSTCHIGDSA-N 1 3 312.410 0.977 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486947604 945426224 /nfs/dbraw/zinc/42/62/24/945426224.db2.gz FRUQGJXFVATFGL-DGCLKSJQSA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486947604 945426228 /nfs/dbraw/zinc/42/62/28/945426228.db2.gz FRUQGJXFVATFGL-DGCLKSJQSA-N 1 3 321.425 0.175 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246618405 945444358 /nfs/dbraw/zinc/44/43/58/945444358.db2.gz FETZNPOOVMDWFQ-ULQDDVLXSA-N 1 3 317.433 0.797 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CC[NH2+]C[C@]3(CCCCN3)C2)CN1 ZINC001246637571 945448513 /nfs/dbraw/zinc/44/85/13/945448513.db2.gz YOFYXSXEJAHSPO-USXIJHARSA-N 1 3 324.469 0.088 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CCNC[C@]3(CCCC[NH2+]3)C2)CN1 ZINC001246637571 945448519 /nfs/dbraw/zinc/44/85/19/945448519.db2.gz YOFYXSXEJAHSPO-USXIJHARSA-N 1 3 324.469 0.088 20 0 DCADHO C[C@H]1C[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CC[NH2+]1 ZINC001246710485 945467834 /nfs/dbraw/zinc/46/78/34/945467834.db2.gz WSZFKVBDEFKFRQ-QWHCGFSZSA-N 1 3 315.421 0.854 20 0 DCADHO CC(C)NC(=O)c1nn([C@H]2CC[C@@H](C)[NH2+]C2)c2c1CNCC2 ZINC001246755320 945483791 /nfs/dbraw/zinc/48/37/91/945483791.db2.gz ISIIYMPURSXJJY-NEPJUHHUSA-N 1 3 305.426 0.980 20 0 DCADHO CCN1CC[C@@]2(CCCN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246758237 945484301 /nfs/dbraw/zinc/48/43/01/945484301.db2.gz SGOMOQNNQPYKBX-GDBMZVCRSA-N 1 3 306.454 0.415 20 0 DCADHO FC(F)(F)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CCNC2 ZINC001246892970 945512041 /nfs/dbraw/zinc/51/20/41/945512041.db2.gz PJHOUCYYOYAYRD-VIFPVBQESA-N 1 3 315.343 0.814 20 0 DCADHO O[C@@H]1C[NH2+]C[C@@H](c2nc(-c3ccc4c(n3)CCNC4)no2)C1 ZINC001247748871 945571579 /nfs/dbraw/zinc/57/15/79/945571579.db2.gz MFLMDBMQVOXCDA-QWRGUYRKSA-N 1 3 301.350 0.215 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001320446591 945881068 /nfs/dbraw/zinc/88/10/68/945881068.db2.gz OPZZTWCHPPKKOR-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410209847 946037387 /nfs/dbraw/zinc/03/73/87/946037387.db2.gz NUDBDCHWEAWJBE-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+]CCC(=O)Nc1nccs1 ZINC001253207363 946092889 /nfs/dbraw/zinc/09/28/89/946092889.db2.gz FRNOSZGJEKCQEC-LLVKDONJSA-N 1 3 300.428 0.764 20 0 DCADHO CC(CO)(CO)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254046747 946224859 /nfs/dbraw/zinc/22/48/59/946224859.db2.gz ARQZFEJZNGCBBU-UHFFFAOYSA-N 1 3 308.422 0.346 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C(N)=O)C3)CC2)CC1 ZINC001548739328 1013065413 /nfs/dbraw/zinc/06/54/13/1013065413.db2.gz ZRIZRHNAWFKMOG-UHFFFAOYSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001410383173 946283797 /nfs/dbraw/zinc/28/37/97/946283797.db2.gz KTRPBRXAOJVADG-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001410394508 946300382 /nfs/dbraw/zinc/30/03/82/946300382.db2.gz MZUZWYSSNHBBPP-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001410394508 946300393 /nfs/dbraw/zinc/30/03/93/946300393.db2.gz MZUZWYSSNHBBPP-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001321418324 946323294 /nfs/dbraw/zinc/32/32/94/946323294.db2.gz BNROTCQZILKIHN-RWCKICOTSA-N 1 3 324.469 0.503 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCc1cccc(C(N)=O)c1 ZINC001410441848 946381257 /nfs/dbraw/zinc/38/12/57/946381257.db2.gz STSLLBRLKATWKP-CYBMUJFWSA-N 1 3 320.437 0.674 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001410447695 946390839 /nfs/dbraw/zinc/39/08/39/946390839.db2.gz ICGQKLGFSCODJI-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCN(CC[NH3+])CC1)C2 ZINC001255185786 946477619 /nfs/dbraw/zinc/47/76/19/946477619.db2.gz PPDGLVLTCGRTEY-FICVDOATSA-N 1 3 310.442 0.715 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCCCC1 ZINC001321851500 946486800 /nfs/dbraw/zinc/48/68/00/946486800.db2.gz YKHSVNQYVHDAHM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CN(C)C1CCC1 ZINC001410602710 946637792 /nfs/dbraw/zinc/63/77/92/946637792.db2.gz PFVGYOAFILNEJV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CN(C)C1CCC1 ZINC001410602710 946637798 /nfs/dbraw/zinc/63/77/98/946637798.db2.gz PFVGYOAFILNEJV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)N1CCOCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855131 946670050 /nfs/dbraw/zinc/67/00/50/946670050.db2.gz FATAAYSXAQRJTE-UHFFFAOYSA-N 1 3 318.421 0.841 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001410645738 946707458 /nfs/dbraw/zinc/70/74/58/946707458.db2.gz NYTJSISZVNGXSC-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+]1C[C@H]2CN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001257243127 946719875 /nfs/dbraw/zinc/71/98/75/946719875.db2.gz MMWZUVDCYFNBHA-BETUJISGSA-N 1 3 301.456 0.294 20 0 DCADHO CC[N@@H+]1C[C@H]2CN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001257243127 946719885 /nfs/dbraw/zinc/71/98/85/946719885.db2.gz MMWZUVDCYFNBHA-BETUJISGSA-N 1 3 301.456 0.294 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](CO)NCCC(F)(F)F)CC1 ZINC001410735411 946863604 /nfs/dbraw/zinc/86/36/04/946863604.db2.gz SZOVPRZPPUOCAB-LLVKDONJSA-N 1 3 311.348 0.347 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001410868830 947049488 /nfs/dbraw/zinc/04/94/88/947049488.db2.gz YUORLSOCZXIJSR-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO COC(=O)[C@@H](C)CN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273415348 947234144 /nfs/dbraw/zinc/23/41/44/947234144.db2.gz NZWPBMCIEPTZIL-XJKSGUPXSA-N 1 3 311.426 0.424 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001411036400 947257319 /nfs/dbraw/zinc/25/73/19/947257319.db2.gz NYEWUIBUDDXJRW-MRXNPFEDSA-N 1 3 321.425 0.401 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001411036400 947257330 /nfs/dbraw/zinc/25/73/30/947257330.db2.gz NYEWUIBUDDXJRW-MRXNPFEDSA-N 1 3 321.425 0.401 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001411212081 947492454 /nfs/dbraw/zinc/49/24/54/947492454.db2.gz AJIVMDFSYHAAOD-GFCCVEGCSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H](CN[C@H]1CCNC1=O)C(C)(C)C ZINC001411215628 947497388 /nfs/dbraw/zinc/49/73/88/947497388.db2.gz HLACWHQINBGVPZ-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C(C)(C)C ZINC001411220871 947506685 /nfs/dbraw/zinc/50/66/85/947506685.db2.gz VRRNKTCIVGMZOZ-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001262064878 947547747 /nfs/dbraw/zinc/54/77/47/947547747.db2.gz LDSVRVYSWDJQAB-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC001411287944 947594784 /nfs/dbraw/zinc/59/47/84/947594784.db2.gz XINHRPSXCBHPJT-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC001325386121 947775078 /nfs/dbraw/zinc/77/50/78/947775078.db2.gz PATWANUDJNRUET-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCC(N)=O ZINC001273761394 948072032 /nfs/dbraw/zinc/07/20/32/948072032.db2.gz JYQLCBRPUGSGQP-HUUCEWRRSA-N 1 3 324.469 0.659 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCCCC(N)=O ZINC001273761394 948072043 /nfs/dbraw/zinc/07/20/43/948072043.db2.gz JYQLCBRPUGSGQP-HUUCEWRRSA-N 1 3 324.469 0.659 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCCN2CCn2ccnc2)C1=O ZINC001273784567 948089295 /nfs/dbraw/zinc/08/92/95/948089295.db2.gz FJSHZBSGZCHLII-INIZCTEOSA-N 1 3 305.426 0.512 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001488872545 949334575 /nfs/dbraw/zinc/33/45/75/949334575.db2.gz KWCKYECWWRHZKF-MGPQQGTHSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001488872545 949334592 /nfs/dbraw/zinc/33/45/92/949334592.db2.gz KWCKYECWWRHZKF-MGPQQGTHSA-N 1 3 320.441 0.141 20 0 DCADHO CN1CCOC[C@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001364707482 949787523 /nfs/dbraw/zinc/78/75/23/949787523.db2.gz YRUGWFWGMHQFEA-AQFXKWCLSA-N 1 3 311.470 0.940 20 0 DCADHO CC(C)[NH+]1CCC(NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1 ZINC001364767554 949905575 /nfs/dbraw/zinc/90/55/75/949905575.db2.gz CZHGPIGVYHQETJ-DLBZAZTESA-N 1 3 311.470 0.675 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001265930653 950155840 /nfs/dbraw/zinc/15/58/40/950155840.db2.gz HDTSQERRECYPSS-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001266041258 950291536 /nfs/dbraw/zinc/29/15/36/950291536.db2.gz RJKOADVRYPYBFM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702654320 950340853 /nfs/dbraw/zinc/34/08/53/950340853.db2.gz UQKLRWFXTDYHJW-GOSISDBHSA-N 1 3 319.449 0.985 20 0 DCADHO C[C@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001330834775 950695874 /nfs/dbraw/zinc/69/58/74/950695874.db2.gz GFDBKDVNGNTRTP-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001280150643 950778971 /nfs/dbraw/zinc/77/89/71/950778971.db2.gz BQUMFUGVZDNWMS-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC3=CC[NH2+]CC3)CC2)CC1 ZINC001331422244 951114108 /nfs/dbraw/zinc/11/41/08/951114108.db2.gz BQCAXGSKWUHHRK-UHFFFAOYSA-N 1 3 321.469 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N1CCCCC1 ZINC001331470707 951131164 /nfs/dbraw/zinc/13/11/64/951131164.db2.gz RPAXNVXCMDOUBP-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)CN1CCN(C)CC1 ZINC001365558847 951263014 /nfs/dbraw/zinc/26/30/14/951263014.db2.gz VKFSGJVQXPZOEV-OAGGEKHMSA-N 1 3 323.485 0.215 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)CN1CCN(C)CC1 ZINC001365558847 951263027 /nfs/dbraw/zinc/26/30/27/951263027.db2.gz VKFSGJVQXPZOEV-OAGGEKHMSA-N 1 3 323.485 0.215 20 0 DCADHO Cc1nccn1CCCC[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001331960611 951411696 /nfs/dbraw/zinc/41/16/96/951411696.db2.gz UCFQPOOGJADNEA-MRXNPFEDSA-N 1 3 309.458 0.170 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CCCCC1 ZINC001332206063 951520672 /nfs/dbraw/zinc/52/06/72/951520672.db2.gz GSQLZSJTHPCOOS-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(O)(CNCCF)CC1 ZINC001281645278 951576542 /nfs/dbraw/zinc/57/65/42/951576542.db2.gz VTAIHCFJBINSMD-ZIAGYGMSSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001365853800 951618280 /nfs/dbraw/zinc/61/82/80/951618280.db2.gz IPXLWXBLCMXAKN-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001365858037 951620954 /nfs/dbraw/zinc/62/09/54/951620954.db2.gz JVYKUHKZYJWGBP-NWANDNLSSA-N 1 3 324.469 0.480 20 0 DCADHO COCCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001274501344 951667828 /nfs/dbraw/zinc/66/78/28/951667828.db2.gz JAURQBGDWBWZOQ-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274752404 951822799 /nfs/dbraw/zinc/82/27/99/951822799.db2.gz ASJYABIXQYUZMQ-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)N2C[C@H]1CCOC1 ZINC001275168263 951980841 /nfs/dbraw/zinc/98/08/41/951980841.db2.gz JGZVRUZXTDJISI-WCXIOVBPSA-N 1 3 319.449 0.792 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001275174151 951986527 /nfs/dbraw/zinc/98/65/27/951986527.db2.gz SLKJKBMVMLQEBY-HOCLYGCPSA-N 1 3 321.469 0.931 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001412534319 952874222 /nfs/dbraw/zinc/87/42/22/952874222.db2.gz PPAYFABJTVHTDU-BBWFWOEESA-N 1 3 322.497 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001412534319 952874224 /nfs/dbraw/zinc/87/42/24/952874224.db2.gz PPAYFABJTVHTDU-BBWFWOEESA-N 1 3 322.497 0.861 20 0 DCADHO Cc1ccc(CN2CCCN(C(=O)CNCC[NH3+])CC2)cc1 ZINC001340152549 953149317 /nfs/dbraw/zinc/14/93/17/953149317.db2.gz YKVWEHXBNMTLRZ-UHFFFAOYSA-N 1 3 304.438 0.578 20 0 DCADHO C[C@H](NCC(=O)N(C)C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365919058 953408252 /nfs/dbraw/zinc/40/82/52/953408252.db2.gz DGZREEGNBJNHTB-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCCO)CC2)N(C)C ZINC001366021677 953588367 /nfs/dbraw/zinc/58/83/67/953588367.db2.gz UTUDFDXVISQSHD-HUUCEWRRSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001366093982 953675109 /nfs/dbraw/zinc/67/51/09/953675109.db2.gz LXHBAEXUQWUWBK-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001366133182 953723658 /nfs/dbraw/zinc/72/36/58/953723658.db2.gz XERFSYQXQVKAHG-MXAVVETBSA-N 1 3 324.469 0.477 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001366174654 953780679 /nfs/dbraw/zinc/78/06/79/953780679.db2.gz VTOBMKXBYZPDDP-OKILXGFUSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001366207549 953825258 /nfs/dbraw/zinc/82/52/58/953825258.db2.gz TWDVSCDMGSRGFH-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC001346340062 953860106 /nfs/dbraw/zinc/86/01/06/953860106.db2.gz OIMOJKQKWXJZFG-WBVHZDCISA-N 1 3 323.485 0.537 20 0 DCADHO CN(CC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001283075039 953983883 /nfs/dbraw/zinc/98/38/83/953983883.db2.gz LSAJYIFBJYWOBS-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001283075039 953983899 /nfs/dbraw/zinc/98/38/99/953983899.db2.gz LSAJYIFBJYWOBS-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366411647 954166098 /nfs/dbraw/zinc/16/60/98/954166098.db2.gz BZLXCDJWXCHBEK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001283233851 954170996 /nfs/dbraw/zinc/17/09/96/954170996.db2.gz VPTPCOBZUWQFDG-CYBMUJFWSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001366507499 954294341 /nfs/dbraw/zinc/29/43/41/954294341.db2.gz BQZPVNMWACPRAD-ZDUSSCGKSA-N 1 3 314.474 0.726 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCc1cnn(C)c1 ZINC001366638695 954565327 /nfs/dbraw/zinc/56/53/27/954565327.db2.gz BDJBLIMERIZUBN-OAHLLOKOSA-N 1 3 307.442 0.352 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCc1cnn(C)c1 ZINC001366638695 954565340 /nfs/dbraw/zinc/56/53/40/954565340.db2.gz BDJBLIMERIZUBN-OAHLLOKOSA-N 1 3 307.442 0.352 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)CN1C(=O)CN1CCCC1 ZINC001284034130 954795692 /nfs/dbraw/zinc/79/56/92/954795692.db2.gz PQNNYBQOPRJJOR-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001366765075 954801284 /nfs/dbraw/zinc/80/12/84/954801284.db2.gz DHTJBSNGDTUFTJ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001366765075 954801301 /nfs/dbraw/zinc/80/13/01/954801301.db2.gz DHTJBSNGDTUFTJ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001349635068 954823076 /nfs/dbraw/zinc/82/30/76/954823076.db2.gz QXVFYJQYKMJYLV-YOEHRIQHSA-N 1 3 322.453 0.128 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001366779891 954836260 /nfs/dbraw/zinc/83/62/60/954836260.db2.gz UTPGEQPDHVKCPO-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001366779891 954836272 /nfs/dbraw/zinc/83/62/72/954836272.db2.gz UTPGEQPDHVKCPO-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001367015285 955203751 /nfs/dbraw/zinc/20/37/51/955203751.db2.gz CJNPRQDYBQZZJT-INIZCTEOSA-N 1 3 305.422 0.821 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001367175663 955431855 /nfs/dbraw/zinc/43/18/55/955431855.db2.gz ASUYZYOBGVJLQL-BLLLJJGKSA-N 1 3 312.458 0.336 20 0 DCADHO CCCC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001367221949 955480193 /nfs/dbraw/zinc/48/01/93/955480193.db2.gz NJBMWHICTGNVPP-RBSFLKMASA-N 1 3 324.469 0.705 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1CCC[NH+]1CCCC1 ZINC001354228099 956320135 /nfs/dbraw/zinc/32/01/35/956320135.db2.gz DVYCPXYMHDNLNC-AWEZNQCLSA-N 1 3 308.426 0.879 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001292857041 957176022 /nfs/dbraw/zinc/17/60/22/957176022.db2.gz IIKNKJMQDBTYFQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNC(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001293357673 957354775 /nfs/dbraw/zinc/35/47/75/957354775.db2.gz DCQKRLRJAYLUKB-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNC(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001293357673 957354779 /nfs/dbraw/zinc/35/47/79/957354779.db2.gz DCQKRLRJAYLUKB-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNC(=O)[C@H]2CCCN2C)C1 ZINC001357993872 957412477 /nfs/dbraw/zinc/41/24/77/957412477.db2.gz MPDAVKDTYVPNPQ-NMONBKHDSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNC(=O)[C@H]2CCCN2C)C1 ZINC001357993872 957412479 /nfs/dbraw/zinc/41/24/79/957412479.db2.gz MPDAVKDTYVPNPQ-NMONBKHDSA-N 1 3 322.453 0.211 20 0 DCADHO CCn1nncc1CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367387566 957754770 /nfs/dbraw/zinc/75/47/70/957754770.db2.gz VQLYCKBFGDVUNK-UONOGXRCSA-N 1 3 322.457 0.576 20 0 DCADHO CCn1nncc1CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367387566 957754772 /nfs/dbraw/zinc/75/47/72/957754772.db2.gz VQLYCKBFGDVUNK-UONOGXRCSA-N 1 3 322.457 0.576 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001367579749 958103326 /nfs/dbraw/zinc/10/33/26/958103326.db2.gz JTRJTLZNZDOSMG-KGLIPLIRSA-N 1 3 315.458 0.353 20 0 DCADHO C[C@@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001367633708 958230821 /nfs/dbraw/zinc/23/08/21/958230821.db2.gz BZVHCPOJHXMRKS-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001367636560 958238371 /nfs/dbraw/zinc/23/83/71/958238371.db2.gz DSHXYSODCVPVGT-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CO[C@H](C[NH2+]C[C@@H](C)NC(=O)Cc1nnc(C)[nH]1)C1CCCC1 ZINC001367673678 958329861 /nfs/dbraw/zinc/32/98/61/958329861.db2.gz WTHBIDNDOSPTKX-BXUZGUMPSA-N 1 3 323.441 0.955 20 0 DCADHO CO[C@H](C[NH2+]C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1)C1CCCC1 ZINC001367673678 958329870 /nfs/dbraw/zinc/32/98/70/958329870.db2.gz WTHBIDNDOSPTKX-BXUZGUMPSA-N 1 3 323.441 0.955 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001367739903 958477233 /nfs/dbraw/zinc/47/72/33/958477233.db2.gz LWBQERPMZZRSDR-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc[nH]c1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001362080209 958705845 /nfs/dbraw/zinc/70/58/45/958705845.db2.gz QYJNTABOLWERBA-HNNXBMFYSA-N 1 3 319.453 0.888 20 0 DCADHO CCN(C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001491578404 958871661 /nfs/dbraw/zinc/87/16/61/958871661.db2.gz DXPNAZQNWOJPOO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nnc(C)[nH]1 ZINC001367938452 958905929 /nfs/dbraw/zinc/90/59/29/958905929.db2.gz KUEXJMDOTQOXFQ-KGLIPLIRSA-N 1 3 322.457 0.782 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001491635189 958983312 /nfs/dbraw/zinc/98/33/12/958983312.db2.gz ANQUFRHUTSDTQZ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001491639755 958993804 /nfs/dbraw/zinc/99/38/04/958993804.db2.gz QZWMMXHNSMGCBY-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001491639755 958993815 /nfs/dbraw/zinc/99/38/15/958993815.db2.gz QZWMMXHNSMGCBY-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC001491646006 959004149 /nfs/dbraw/zinc/00/41/49/959004149.db2.gz NMYRBADIGNMOMG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC001491646006 959004161 /nfs/dbraw/zinc/00/41/61/959004161.db2.gz NMYRBADIGNMOMG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cccc(C(N)=O)c1 ZINC001491674761 959115520 /nfs/dbraw/zinc/11/55/20/959115520.db2.gz VUMGMSZWQAKCJT-WFASDCNBSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cccc(C(N)=O)c1 ZINC001491674761 959115525 /nfs/dbraw/zinc/11/55/25/959115525.db2.gz VUMGMSZWQAKCJT-WFASDCNBSA-N 1 3 318.421 0.332 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001376914783 959128129 /nfs/dbraw/zinc/12/81/29/959128129.db2.gz LTHFYYSDNFBFET-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368059962 959162711 /nfs/dbraw/zinc/16/27/11/959162711.db2.gz CXPVNXNGGYUYDQ-XJKSGUPXSA-N 1 3 310.442 0.126 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001368090381 959216908 /nfs/dbraw/zinc/21/69/08/959216908.db2.gz CGTSKAPHKHOCSJ-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001491849800 959304923 /nfs/dbraw/zinc/30/49/23/959304923.db2.gz MKUZOZCNQGZVGH-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001377064957 959416139 /nfs/dbraw/zinc/41/61/39/959416139.db2.gz GGGJMKIMBGRKOJ-HUUCEWRRSA-N 1 3 321.469 0.789 20 0 DCADHO C[C@]1(C[NH2+]CC(=O)N2CCC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368198538 959435777 /nfs/dbraw/zinc/43/57/77/959435777.db2.gz PWSQMXPQVKQENV-MRXNPFEDSA-N 1 3 319.409 0.013 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001480639008 959554162 /nfs/dbraw/zinc/55/41/62/959554162.db2.gz YAAPNKIITMICRC-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO O=C(CN1CCCC1)NC[C@@]1(O)CC[N@H+](Cc2cccnc2)C1 ZINC001368285702 959609008 /nfs/dbraw/zinc/60/90/08/959609008.db2.gz LYYDTVFQUYLHGM-KRWDZBQOSA-N 1 3 318.421 0.230 20 0 DCADHO O=C(CN1CCCC1)NC[C@@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001368285702 959609020 /nfs/dbraw/zinc/60/90/20/959609020.db2.gz LYYDTVFQUYLHGM-KRWDZBQOSA-N 1 3 318.421 0.230 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001368346889 959706841 /nfs/dbraw/zinc/70/68/41/959706841.db2.gz FPOBHKPJANWFIS-GJZGRUSLSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)[NH2+]C1CCN(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001368360513 959731471 /nfs/dbraw/zinc/73/14/71/959731471.db2.gz HEVPAQKWWHUESZ-HNNXBMFYSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1NCC(N)=O ZINC001377270015 959829012 /nfs/dbraw/zinc/82/90/12/959829012.db2.gz DOXFDJCXXPEKRN-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CCn1nnc(C)c1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001368709891 960179121 /nfs/dbraw/zinc/17/91/21/960179121.db2.gz OQKODADEOOANTQ-GXTWGEPZSA-N 1 3 322.457 0.685 20 0 DCADHO CCN(CC(=O)NC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368774826 960253303 /nfs/dbraw/zinc/25/33/03/960253303.db2.gz GRKFEVOAKPDUQY-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC(=O)NC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001368774826 960253311 /nfs/dbraw/zinc/25/33/11/960253311.db2.gz GRKFEVOAKPDUQY-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)C1=O ZINC001377581430 960312434 /nfs/dbraw/zinc/31/24/34/960312434.db2.gz NPSQGBPYSCBRKZ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001377606676 960349427 /nfs/dbraw/zinc/34/94/27/960349427.db2.gz YTXZJMXHEBZKFB-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001363124182 960436807 /nfs/dbraw/zinc/43/68/07/960436807.db2.gz SBRLYOOCCKUIEZ-VNQPRFMTSA-N 1 3 316.405 0.185 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccnn1C ZINC001378306782 960543452 /nfs/dbraw/zinc/54/34/52/960543452.db2.gz XHZFANBZCFFOLX-AWEZNQCLSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1(CNCc2cnnn2C)CCCC1 ZINC001378363208 960655604 /nfs/dbraw/zinc/65/56/04/960655604.db2.gz ABUICUUCVZIGKY-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1(CNCc2cnnn2C)CCCC1 ZINC001378363208 960655619 /nfs/dbraw/zinc/65/56/19/960655619.db2.gz ABUICUUCVZIGKY-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001378372357 960665922 /nfs/dbraw/zinc/66/59/22/960665922.db2.gz LCZKZISKTZGILN-CYBMUJFWSA-N 1 3 310.442 0.234 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001447025333 1013207211 /nfs/dbraw/zinc/20/72/11/1013207211.db2.gz VWHQXUQZSNCLAX-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCn1nnc(C)c1CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001378503712 960889460 /nfs/dbraw/zinc/88/94/60/960889460.db2.gz BUEJPFMLBKMBAE-CQSZACIVSA-N 1 3 322.457 0.639 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCCC[C@H]3[NH3+])C2)nn1 ZINC001549047254 1013248397 /nfs/dbraw/zinc/24/83/97/1013248397.db2.gz MHGRBSQSXCBDRV-HZSPNIEDSA-N 1 3 306.414 0.418 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001378121876 961473682 /nfs/dbraw/zinc/47/36/82/961473682.db2.gz JWNRYBARSZFLSA-GFCCVEGCSA-N 1 3 310.446 0.283 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378809891 961523016 /nfs/dbraw/zinc/52/30/16/961523016.db2.gz JKLAPYQLEJBJDA-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001378845190 961593223 /nfs/dbraw/zinc/59/32/23/961593223.db2.gz OOSIYBLVDNZDGV-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nccn1C ZINC001378918799 961704837 /nfs/dbraw/zinc/70/48/37/961704837.db2.gz SGHCBKXPCNQLLD-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001447155969 1013286396 /nfs/dbraw/zinc/28/63/96/1013286396.db2.gz FXHAROPUNZFDNQ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001447155969 1013286408 /nfs/dbraw/zinc/28/64/08/1013286408.db2.gz FXHAROPUNZFDNQ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(CCn3cncn3)CC2)CC1 ZINC001363817300 961950365 /nfs/dbraw/zinc/95/03/65/961950365.db2.gz QHGJFCCEWJXTEA-UHFFFAOYSA-N 1 3 306.458 0.770 20 0 DCADHO CCN1CCC([N@H+]2CCCN(CCn3cncn3)CC2)CC1 ZINC001363817300 961950391 /nfs/dbraw/zinc/95/03/91/961950391.db2.gz QHGJFCCEWJXTEA-UHFFFAOYSA-N 1 3 306.458 0.770 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001447201409 1013309042 /nfs/dbraw/zinc/30/90/42/1013309042.db2.gz URONVZLSVDJVHS-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001379126065 962156961 /nfs/dbraw/zinc/15/69/61/962156961.db2.gz KUZNBRNQIWCQQU-AWEZNQCLSA-N 1 3 322.457 0.497 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001379126065 962156970 /nfs/dbraw/zinc/15/69/70/962156970.db2.gz KUZNBRNQIWCQQU-AWEZNQCLSA-N 1 3 322.457 0.497 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001379167147 962250603 /nfs/dbraw/zinc/25/06/03/962250603.db2.gz HFVPYPNKOGVDJY-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C)C1CC1 ZINC001379194221 962326035 /nfs/dbraw/zinc/32/60/35/962326035.db2.gz DSTHGWPZQVDVIV-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNCc1ccccn1 ZINC001379299274 962573090 /nfs/dbraw/zinc/57/30/90/962573090.db2.gz WXENAFPFXVLLMC-MRXNPFEDSA-N 1 3 320.437 0.524 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@H]1CCCNC1=O ZINC001379317423 962611028 /nfs/dbraw/zinc/61/10/28/962611028.db2.gz DQQQGLZMVCPXJM-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001380178415 962831726 /nfs/dbraw/zinc/83/17/26/962831726.db2.gz BTNRNWBBADPQEN-MRXNPFEDSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001380178415 962831738 /nfs/dbraw/zinc/83/17/38/962831738.db2.gz BTNRNWBBADPQEN-MRXNPFEDSA-N 1 3 311.470 0.881 20 0 DCADHO O=C(NC[C@@H](CO)NCc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC001379401196 962832734 /nfs/dbraw/zinc/83/27/34/962832734.db2.gz VNDZXSQCFAALSA-IRXDYDNUSA-N 1 3 317.433 0.595 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001379431813 962904685 /nfs/dbraw/zinc/90/46/85/962904685.db2.gz IOIBPNIGDZYRGU-RBSFLKMASA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001379450918 962951534 /nfs/dbraw/zinc/95/15/34/962951534.db2.gz QEXSQKJNXKRVCE-TZMCWYRMSA-N 1 3 314.474 0.582 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1)[NH+](C)C ZINC001379551580 963171004 /nfs/dbraw/zinc/17/10/04/963171004.db2.gz OCNCKZSNJAFNHU-SWLSCSKDSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001379601229 963247463 /nfs/dbraw/zinc/24/74/63/963247463.db2.gz PINYRJHSHWJVQK-KBPBESRZSA-N 1 3 314.474 0.676 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001379700826 963400819 /nfs/dbraw/zinc/40/08/19/963400819.db2.gz VSRIXQSNYOGBPX-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001380687127 963490806 /nfs/dbraw/zinc/49/08/06/963490806.db2.gz NHVUXMQDPZQOLN-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001380731359 963532586 /nfs/dbraw/zinc/53/25/86/963532586.db2.gz HCWDPFKBHCKUGW-NVXWUHKLSA-N 1 3 309.454 0.680 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001380913985 963679941 /nfs/dbraw/zinc/67/99/41/963679941.db2.gz JIBORMNYFPEUQX-LSDHHAIUSA-N 1 3 313.442 0.180 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001381322788 963971114 /nfs/dbraw/zinc/97/11/14/963971114.db2.gz RFYQSCMLOONTKK-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]([NH2+]CCc1ccnn1C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001381383713 964038637 /nfs/dbraw/zinc/03/86/37/964038637.db2.gz FLJKBDMCRAFPKL-KGLIPLIRSA-N 1 3 321.469 0.930 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001375277017 964199459 /nfs/dbraw/zinc/19/94/59/964199459.db2.gz JUHLEKQYIAQUAG-KGLIPLIRSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1)[NH+](CC)CC ZINC001375481095 964457620 /nfs/dbraw/zinc/45/76/20/964457620.db2.gz FNAOMAZIKVOEAZ-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001375496311 964477424 /nfs/dbraw/zinc/47/74/24/964477424.db2.gz RTWPRQJQBHPIAR-BETUJISGSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001375529284 964517994 /nfs/dbraw/zinc/51/79/94/964517994.db2.gz JQQMYNMUQKJITO-MGPQQGTHSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](CNCc1cncn1C)C1CC1 ZINC001369226349 964550674 /nfs/dbraw/zinc/55/06/74/964550674.db2.gz UEVSMAWDPZUBQD-HOCLYGCPSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](CNCc1cncn1C)C1CC1 ZINC001369226349 964550682 /nfs/dbraw/zinc/55/06/82/964550682.db2.gz UEVSMAWDPZUBQD-HOCLYGCPSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001369250783 964599108 /nfs/dbraw/zinc/59/91/08/964599108.db2.gz KFGQQBYPZNXEPP-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001369252181 964601439 /nfs/dbraw/zinc/60/14/39/964601439.db2.gz ODQXTYPDYZCLMX-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001369277483 964642136 /nfs/dbraw/zinc/64/21/36/964642136.db2.gz PRGVVVVZXCEGTP-ABAIWWIYSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001369277483 964642140 /nfs/dbraw/zinc/64/21/40/964642140.db2.gz PRGVVVVZXCEGTP-ABAIWWIYSA-N 1 3 316.421 0.121 20 0 DCADHO CC[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001373797437 964643698 /nfs/dbraw/zinc/64/36/98/964643698.db2.gz LZRDRSNFQYLNPV-ABAIWWIYSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001373797437 964643709 /nfs/dbraw/zinc/64/37/09/964643709.db2.gz LZRDRSNFQYLNPV-ABAIWWIYSA-N 1 3 316.421 0.169 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375711347 964745757 /nfs/dbraw/zinc/74/57/57/964745757.db2.gz KPNAXBYGRQEVIP-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375711347 964745767 /nfs/dbraw/zinc/74/57/67/964745767.db2.gz KPNAXBYGRQEVIP-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO Cn1ccnc1CN[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001373922477 964784238 /nfs/dbraw/zinc/78/42/38/964784238.db2.gz ZUSVJMPKPIXYPN-HDJSIYSDSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001373921108 964785256 /nfs/dbraw/zinc/78/52/56/964785256.db2.gz OIPBGKKFAORNQT-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cccc(C)c1CN[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001369345912 964792399 /nfs/dbraw/zinc/79/23/99/964792399.db2.gz IKCFMMYIBICKGX-OAHLLOKOSA-N 1 3 307.438 0.822 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375763743 964812116 /nfs/dbraw/zinc/81/21/16/964812116.db2.gz ADLJSSWGHNYMBA-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375763743 964812125 /nfs/dbraw/zinc/81/21/25/964812125.db2.gz ADLJSSWGHNYMBA-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001369372083 964844425 /nfs/dbraw/zinc/84/44/25/964844425.db2.gz HMYPYAQGDGSUBW-QWHCGFSZSA-N 1 3 321.412 0.829 20 0 DCADHO Cc1cc(C)cc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001369378096 964853834 /nfs/dbraw/zinc/85/38/34/964853834.db2.gz ARXCVGMKQKQIJG-DLBZAZTESA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cc(C)cc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001369378096 964853842 /nfs/dbraw/zinc/85/38/42/964853842.db2.gz ARXCVGMKQKQIJG-DLBZAZTESA-N 1 3 319.449 0.822 20 0 DCADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001369412220 964930586 /nfs/dbraw/zinc/93/05/86/964930586.db2.gz XEHNLOQXRIELAC-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)cn1)N(C)C ZINC001374095945 965007418 /nfs/dbraw/zinc/00/74/18/965007418.db2.gz DUSAYXGRPQWAIB-SWLSCSKDSA-N 1 3 307.442 0.967 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001374099960 965013293 /nfs/dbraw/zinc/01/32/93/965013293.db2.gz SHILRHQIWBUJDV-DZGCQCFKSA-N 1 3 322.453 0.567 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CCCF)C1 ZINC001369502416 965098897 /nfs/dbraw/zinc/09/88/97/965098897.db2.gz FSTFAXOHORZULH-ZIAGYGMSSA-N 1 3 303.422 0.439 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCCF)C1 ZINC001369502416 965098910 /nfs/dbraw/zinc/09/89/10/965098910.db2.gz FSTFAXOHORZULH-ZIAGYGMSSA-N 1 3 303.422 0.439 20 0 DCADHO C[C@H](F)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515614 965123517 /nfs/dbraw/zinc/12/35/17/965123517.db2.gz YKZCLBWDCYQYTC-UONOGXRCSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@H](F)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515614 965123524 /nfs/dbraw/zinc/12/35/24/965123524.db2.gz YKZCLBWDCYQYTC-UONOGXRCSA-N 1 3 317.449 0.970 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@@H](C)C(N)=O ZINC001374387071 965330914 /nfs/dbraw/zinc/33/09/14/965330914.db2.gz NQEQMQOOZOZKKN-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001369718262 965332826 /nfs/dbraw/zinc/33/28/26/965332826.db2.gz DRMQJRXJQRWZBR-VXGBXAGGSA-N 1 3 323.441 0.612 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001369718262 965332838 /nfs/dbraw/zinc/33/28/38/965332838.db2.gz DRMQJRXJQRWZBR-VXGBXAGGSA-N 1 3 323.441 0.612 20 0 DCADHO C[C@H](NCc1cnnn1C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369753596 965356672 /nfs/dbraw/zinc/35/66/72/965356672.db2.gz RWLOHIHBXASVPR-ZFWWWQNUSA-N 1 3 322.457 0.626 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001376217670 965399529 /nfs/dbraw/zinc/39/95/29/965399529.db2.gz BNWZJVRGEJGVAI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001376217670 965399532 /nfs/dbraw/zinc/39/95/32/965399532.db2.gz BNWZJVRGEJGVAI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001374543528 965507105 /nfs/dbraw/zinc/50/71/05/965507105.db2.gz WJOQVGNCIOCSPG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376315411 965512133 /nfs/dbraw/zinc/51/21/33/965512133.db2.gz ZZFUZDOHAORZED-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001376315411 965512144 /nfs/dbraw/zinc/51/21/44/965512144.db2.gz ZZFUZDOHAORZED-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H](O)COC ZINC001374558562 965528621 /nfs/dbraw/zinc/52/86/21/965528621.db2.gz YEGVBOOTXZELNM-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@H](O)COC ZINC001374558562 965528629 /nfs/dbraw/zinc/52/86/29/965528629.db2.gz YEGVBOOTXZELNM-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C[C@H](O)COC ZINC001374558562 965528631 /nfs/dbraw/zinc/52/86/31/965528631.db2.gz YEGVBOOTXZELNM-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C[C@H](O)COC ZINC001374558562 965528639 /nfs/dbraw/zinc/52/86/39/965528639.db2.gz YEGVBOOTXZELNM-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2C1)N(C)C ZINC001376404469 965617634 /nfs/dbraw/zinc/61/76/34/965617634.db2.gz ZSTCVEBJFPPRMB-LVQVYYBASA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@@H]2C1)N(C)C ZINC001376404469 965617638 /nfs/dbraw/zinc/61/76/38/965617638.db2.gz ZSTCVEBJFPPRMB-LVQVYYBASA-N 1 3 311.470 0.878 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CN(C)C1CCC1 ZINC001430574410 1013600201 /nfs/dbraw/zinc/60/02/01/1013600201.db2.gz DNGFLMLDDDTLCP-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CN(C)C1CCC1 ZINC001430574410 1013600202 /nfs/dbraw/zinc/60/02/02/1013600202.db2.gz DNGFLMLDDDTLCP-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374754607 965866981 /nfs/dbraw/zinc/86/69/81/965866981.db2.gz OUBWLCVDFCMYEB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374754607 965866997 /nfs/dbraw/zinc/86/69/97/965866997.db2.gz OUBWLCVDFCMYEB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001376684234 965980257 /nfs/dbraw/zinc/98/02/57/965980257.db2.gz DWBGXDFBZBYUEC-ZQDZILKHSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001376684234 965980266 /nfs/dbraw/zinc/98/02/66/965980266.db2.gz DWBGXDFBZBYUEC-ZQDZILKHSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1cncn1C ZINC001447876102 1013617720 /nfs/dbraw/zinc/61/77/20/1013617720.db2.gz WYGCFDJXXCDWEQ-STQMWFEESA-N 1 3 307.442 0.887 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001370360947 966044016 /nfs/dbraw/zinc/04/40/16/966044016.db2.gz AZCWYDNLUUTWOM-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001374886465 966090437 /nfs/dbraw/zinc/09/04/37/966090437.db2.gz HAZMIJIRSDHGRB-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001374886465 966090447 /nfs/dbraw/zinc/09/04/47/966090447.db2.gz HAZMIJIRSDHGRB-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001376757194 966126829 /nfs/dbraw/zinc/12/68/29/966126829.db2.gz QJEHEQFDJYWPFI-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001376757194 966126833 /nfs/dbraw/zinc/12/68/33/966126833.db2.gz QJEHEQFDJYWPFI-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447905012 1013638827 /nfs/dbraw/zinc/63/88/27/1013638827.db2.gz GOANFCYSOZUJRC-OLZOCXBDSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001370550704 966236812 /nfs/dbraw/zinc/23/68/12/966236812.db2.gz ZPKJEYNITBPHPD-DOERSZECSA-N 1 3 310.442 0.231 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001381409244 966391631 /nfs/dbraw/zinc/39/16/31/966391631.db2.gz HTVRTGHZUGCCPS-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](NCC(=O)NC(C)(C)C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001381413360 966393827 /nfs/dbraw/zinc/39/38/27/966393827.db2.gz CBNUIQRHEBDUCC-VXGBXAGGSA-N 1 3 300.447 0.336 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1ccnn1C ZINC001381453112 966429991 /nfs/dbraw/zinc/42/99/91/966429991.db2.gz NJNOZDZBAPPYIS-RYUDHWBXSA-N 1 3 318.425 0.720 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COC)C1)N(C)C ZINC001370754324 966444006 /nfs/dbraw/zinc/44/40/06/966444006.db2.gz RAXOMBUZBDCOPL-QLFBSQMISA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COC)C1)N(C)C ZINC001370754324 966444010 /nfs/dbraw/zinc/44/40/10/966444010.db2.gz RAXOMBUZBDCOPL-QLFBSQMISA-N 1 3 315.458 0.162 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001370927139 966592562 /nfs/dbraw/zinc/59/25/62/966592562.db2.gz FYXOEBCFXQLGJL-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001370927139 966592566 /nfs/dbraw/zinc/59/25/66/966592566.db2.gz FYXOEBCFXQLGJL-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001370926626 966594101 /nfs/dbraw/zinc/59/41/01/966594101.db2.gz YXUOPLRJOAXJNW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001381967655 966824679 /nfs/dbraw/zinc/82/46/79/966824679.db2.gz CMFDLDRBCMMMMG-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001381980187 966841607 /nfs/dbraw/zinc/84/16/07/966841607.db2.gz FOPMWQNHHDKSCO-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001381980187 966841618 /nfs/dbraw/zinc/84/16/18/966841618.db2.gz FOPMWQNHHDKSCO-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCCNC1=O ZINC001382130051 966966779 /nfs/dbraw/zinc/96/67/79/966966779.db2.gz WFXVQROTZFKVTF-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001371428819 966984193 /nfs/dbraw/zinc/98/41/93/966984193.db2.gz NILOOUXFAYRACD-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001382159752 966991024 /nfs/dbraw/zinc/99/10/24/966991024.db2.gz XDTKTDNEANMLGR-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001382159752 966991032 /nfs/dbraw/zinc/99/10/32/966991032.db2.gz XDTKTDNEANMLGR-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)CC(C)(C)C ZINC001371535229 967092443 /nfs/dbraw/zinc/09/24/43/967092443.db2.gz WGNUZZISDJLTNM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]CC1CCOCC1)N(C)C ZINC001382257664 967129041 /nfs/dbraw/zinc/12/90/41/967129041.db2.gz TZTISDFRQZJYIO-HUUCEWRRSA-N 1 3 315.458 0.066 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001371677419 967234206 /nfs/dbraw/zinc/23/42/06/967234206.db2.gz NTTDZFGJRIZBSY-ZIAGYGMSSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001371677419 967234215 /nfs/dbraw/zinc/23/42/15/967234215.db2.gz NTTDZFGJRIZBSY-ZIAGYGMSSA-N 1 3 303.422 0.581 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCn1cccn1 ZINC001382359685 967261356 /nfs/dbraw/zinc/26/13/56/967261356.db2.gz OUVJLOKPJQFTIU-HUUCEWRRSA-N 1 3 307.442 0.804 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C ZINC001382380138 967294595 /nfs/dbraw/zinc/29/45/95/967294595.db2.gz SVOMBHAZIUXSHL-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001382380138 967294604 /nfs/dbraw/zinc/29/46/04/967294604.db2.gz SVOMBHAZIUXSHL-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(N)=O ZINC001371884081 967419714 /nfs/dbraw/zinc/41/97/14/967419714.db2.gz BYKPOUQWPQHXSU-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001372142275 967679220 /nfs/dbraw/zinc/67/92/20/967679220.db2.gz WZFQPAZHPJIKPT-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)CCN1CCCC1=O ZINC001372404746 967965102 /nfs/dbraw/zinc/96/51/02/967965102.db2.gz ALUYSNNDYKZQPG-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)CCN1CCCC1=O ZINC001372404746 967965108 /nfs/dbraw/zinc/96/51/08/967965108.db2.gz ALUYSNNDYKZQPG-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCCN2C)C1=O ZINC001372932383 968541186 /nfs/dbraw/zinc/54/11/86/968541186.db2.gz BEEVVSVTCPQKHX-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001373189065 968795977 /nfs/dbraw/zinc/79/59/77/968795977.db2.gz RYZPYDZLOKRFHV-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@@H]1CCN(C)C1=O ZINC001373296070 968912262 /nfs/dbraw/zinc/91/22/62/968912262.db2.gz YIZRODUWKZVQAD-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001431003899 1013862696 /nfs/dbraw/zinc/86/26/96/1013862696.db2.gz IIBNPDGPKIUIRK-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431003899 1013862699 /nfs/dbraw/zinc/86/26/99/1013862699.db2.gz IIBNPDGPKIUIRK-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001448504994 1013935265 /nfs/dbraw/zinc/93/52/65/1013935265.db2.gz YBQWUCNQKQIHHI-CTYIDZIISA-N 1 3 319.453 0.889 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001448535836 1013945962 /nfs/dbraw/zinc/94/59/62/1013945962.db2.gz OLYHONLOGBKXCL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448554902 1013950272 /nfs/dbraw/zinc/95/02/72/1013950272.db2.gz LDBWVNMWWHUJTB-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448554902 1013950274 /nfs/dbraw/zinc/95/02/74/1013950274.db2.gz LDBWVNMWWHUJTB-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448554896 1013950393 /nfs/dbraw/zinc/95/03/93/1013950393.db2.gz LDBWVNMWWHUJTB-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448554896 1013950396 /nfs/dbraw/zinc/95/03/96/1013950396.db2.gz LDBWVNMWWHUJTB-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cnn(C)n1 ZINC001448561280 1013950917 /nfs/dbraw/zinc/95/09/17/1013950917.db2.gz LODYXQWYJXBAAZ-UKRRQHHQSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cnn(C)n1 ZINC001448561280 1013950921 /nfs/dbraw/zinc/95/09/21/1013950921.db2.gz LODYXQWYJXBAAZ-UKRRQHHQSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001448715155 1014008822 /nfs/dbraw/zinc/00/88/22/1014008822.db2.gz IFMYCUYYBMJHES-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001448773657 1014034099 /nfs/dbraw/zinc/03/40/99/1014034099.db2.gz IEZLNGDWZBZPBQ-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001448875916 1014079070 /nfs/dbraw/zinc/07/90/70/1014079070.db2.gz PMJJPGGXPKMALD-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001448875916 1014079072 /nfs/dbraw/zinc/07/90/72/1014079072.db2.gz PMJJPGGXPKMALD-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO [NH3+]C[C@]12CCC[C@@H]1CN([C@H]1CCN(C3CCOCC3)C1=O)C2 ZINC001549118116 1014138368 /nfs/dbraw/zinc/13/83/68/1014138368.db2.gz VSRGQDGKJSZUJH-KMFMINBZSA-N 1 3 307.438 0.827 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)C[C@H]1C ZINC001449023190 1014138982 /nfs/dbraw/zinc/13/89/82/1014138982.db2.gz WOCNHPJOKNPJPQ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001549134132 1014145844 /nfs/dbraw/zinc/14/58/44/1014145844.db2.gz NORCLAABQNGGQI-DOTOQJQBSA-N 1 3 308.470 0.601 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001449033109 1014148698 /nfs/dbraw/zinc/14/86/98/1014148698.db2.gz SJOMZWWYMJHYJA-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)c3cccc4c3CNC4)C[C@H]2[NH3+])cn1 ZINC001549293019 1014200068 /nfs/dbraw/zinc/20/00/68/1014200068.db2.gz QOPQYZVCAPXUHW-JKSUJKDBSA-N 1 3 311.389 0.590 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC[C@H](C)C1 ZINC001522694372 1014305823 /nfs/dbraw/zinc/30/58/23/1014305823.db2.gz ZMQYYHDJACGHOO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC[C@H](C)C1 ZINC001522694372 1014305835 /nfs/dbraw/zinc/30/58/35/1014305835.db2.gz ZMQYYHDJACGHOO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)N(C)C ZINC001549740906 1014439062 /nfs/dbraw/zinc/43/90/62/1014439062.db2.gz ROUFNHKJIFTWKQ-GUTXKFCHSA-N 1 3 310.442 0.090 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001550061466 1014541591 /nfs/dbraw/zinc/54/15/91/1014541591.db2.gz VRYFEGRKSSLVTL-UONOGXRCSA-N 1 3 317.368 0.585 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC001550200293 1014625816 /nfs/dbraw/zinc/62/58/16/1014625816.db2.gz GNBSYUVQHYESDJ-UHFFFAOYSA-N 1 3 322.453 0.590 20 0 DCADHO CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(C)C1 ZINC001550284584 1014651509 /nfs/dbraw/zinc/65/15/09/1014651509.db2.gz TWQQWARTUMVFFE-ZIAGYGMSSA-N 1 3 310.442 0.491 20 0 DCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C1 ZINC001550278986 1014646573 /nfs/dbraw/zinc/64/65/73/1014646573.db2.gz GGMQRJCRFUBTQX-GWONACJQSA-N 1 3 324.469 0.878 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC12CC2 ZINC001550290470 1014655299 /nfs/dbraw/zinc/65/52/99/1014655299.db2.gz KCRPCRWYPNFIFG-LSDHHAIUSA-N 1 3 300.406 0.834 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550910954 1014911864 /nfs/dbraw/zinc/91/18/64/1014911864.db2.gz CPJWWPLYHZAKJP-BBRMVZONSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551498902 1015118572 /nfs/dbraw/zinc/11/85/72/1015118572.db2.gz UWWRPDRGUTWSCK-HLIUYOAVSA-N 1 3 312.458 0.927 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001384451707 985589966 /nfs/dbraw/zinc/58/99/66/985589966.db2.gz YBJPLBOTXDFINS-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001384451707 985589975 /nfs/dbraw/zinc/58/99/75/985589975.db2.gz YBJPLBOTXDFINS-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385250397 986185897 /nfs/dbraw/zinc/18/58/97/986185897.db2.gz YYUCBGSKEVBATR-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385250397 986185901 /nfs/dbraw/zinc/18/59/01/986185901.db2.gz YYUCBGSKEVBATR-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385296098 986223692 /nfs/dbraw/zinc/22/36/92/986223692.db2.gz HCCJGDWTBRTUHU-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001385329846 986259397 /nfs/dbraw/zinc/25/93/97/986259397.db2.gz PFCBFWHEOYZRDB-UHFFFAOYSA-N 1 3 321.425 0.355 20 0 DCADHO CCN(CC)CC(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001385363675 986293300 /nfs/dbraw/zinc/29/33/00/986293300.db2.gz GWYWEEFMGDJPFB-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001385363675 986293312 /nfs/dbraw/zinc/29/33/12/986293312.db2.gz GWYWEEFMGDJPFB-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H](NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001385490437 986383054 /nfs/dbraw/zinc/38/30/54/986383054.db2.gz IFSTVFYLQPGHOO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001386089942 986816285 /nfs/dbraw/zinc/81/62/85/986816285.db2.gz DMEYXGNPSWWGNO-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001386214867 986964160 /nfs/dbraw/zinc/96/41/60/986964160.db2.gz XZZYYZDBAKFOPS-HDJSIYSDSA-N 1 3 322.453 0.187 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001552186346 1015310478 /nfs/dbraw/zinc/31/04/78/1015310478.db2.gz JOGFYUCSAZABTR-RHSMWYFYSA-N 1 3 324.469 0.868 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001532236286 1015317978 /nfs/dbraw/zinc/31/79/78/1015317978.db2.gz KNKKMVXQBDFGTL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001532236286 1015317987 /nfs/dbraw/zinc/31/79/87/1015317987.db2.gz KNKKMVXQBDFGTL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001387311154 987764446 /nfs/dbraw/zinc/76/44/46/987764446.db2.gz XITOZDSZBRPQMH-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001387311154 987764450 /nfs/dbraw/zinc/76/44/50/987764450.db2.gz XITOZDSZBRPQMH-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001387972767 988343085 /nfs/dbraw/zinc/34/30/85/988343085.db2.gz KMUDBAMTGAMSKW-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001388551810 988399254 /nfs/dbraw/zinc/39/92/54/988399254.db2.gz SOPVKFUTAVHTGI-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001388724668 988542334 /nfs/dbraw/zinc/54/23/34/988542334.db2.gz JCMDWSZTFPYNCG-XUXIUFHCSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC001388727751 988544363 /nfs/dbraw/zinc/54/43/63/988544363.db2.gz QTBIDQTYNCPWNV-AJNGGQMLSA-N 1 3 322.453 0.043 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001388737154 988549598 /nfs/dbraw/zinc/54/95/98/988549598.db2.gz SXRYYRNWNNETDW-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CCN(C)CC1 ZINC001552437021 1015435000 /nfs/dbraw/zinc/43/50/00/1015435000.db2.gz WDKZWCNMKIRQQD-CQSZACIVSA-N 1 3 320.441 0.759 20 0 DCADHO CC(C)OCCN1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001389452380 989267920 /nfs/dbraw/zinc/26/79/20/989267920.db2.gz AOFIQVXOSUTVGD-HZPDHXFCSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001527397854 1015461497 /nfs/dbraw/zinc/46/14/97/1015461497.db2.gz VSCWUDRHWLIUMN-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC1(C)CN(C(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CCN1 ZINC001552701486 1015498250 /nfs/dbraw/zinc/49/82/50/1015498250.db2.gz YIEBVABZNXYYAV-YPMHNXCESA-N 1 3 306.414 0.545 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001389974624 989722670 /nfs/dbraw/zinc/72/26/70/989722670.db2.gz RDARMKDBCFCKJZ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001389974624 989722676 /nfs/dbraw/zinc/72/26/76/989722676.db2.gz RDARMKDBCFCKJZ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001390023975 989753133 /nfs/dbraw/zinc/75/31/33/989753133.db2.gz FRDWQZOAWVIKLR-QLFBSQMISA-N 1 3 324.469 0.573 20 0 DCADHO COc1cc(CNC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001390102391 989822509 /nfs/dbraw/zinc/82/25/09/989822509.db2.gz YPFFQZFXNYLGQS-CYBMUJFWSA-N 1 3 324.425 0.963 20 0 DCADHO CC(C)(O)CN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001552787685 1015534356 /nfs/dbraw/zinc/53/43/56/1015534356.db2.gz GRBBKEDCKUDJEM-CQSZACIVSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001390462761 990125513 /nfs/dbraw/zinc/12/55/13/990125513.db2.gz NNDLBXPKVWEVHX-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001390601207 990234854 /nfs/dbraw/zinc/23/48/54/990234854.db2.gz XCGMJDTVQFMBDO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001390602546 990236287 /nfs/dbraw/zinc/23/62/87/990236287.db2.gz FMUMGFKRCUAEHH-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1nnc(CN[C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001390616443 990249126 /nfs/dbraw/zinc/24/91/26/990249126.db2.gz QOPPZJMAQLZPRU-KBPBESRZSA-N 1 3 322.457 0.972 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001391112251 990595885 /nfs/dbraw/zinc/59/58/85/990595885.db2.gz LTPAJJIDVVPHIJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001552956561 1015574485 /nfs/dbraw/zinc/57/44/85/1015574485.db2.gz REHMNFXINROUOE-PMPSAXMXSA-N 1 3 322.453 0.776 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001391225957 990683615 /nfs/dbraw/zinc/68/36/15/990683615.db2.gz GHAZKXBYGSMZQP-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)CN1CCC[C@H]1C ZINC001391332659 990754810 /nfs/dbraw/zinc/75/48/10/990754810.db2.gz NQNAPNZPDATFON-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001391698078 991108748 /nfs/dbraw/zinc/10/87/48/991108748.db2.gz XVZZKNFOGPTWRT-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001391698078 991108753 /nfs/dbraw/zinc/10/87/53/991108753.db2.gz XVZZKNFOGPTWRT-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001391861996 991234731 /nfs/dbraw/zinc/23/47/31/991234731.db2.gz PIHBFWIMJHSQOL-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001391861996 991234735 /nfs/dbraw/zinc/23/47/35/991234735.db2.gz PIHBFWIMJHSQOL-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)nn1C ZINC001391936661 991305001 /nfs/dbraw/zinc/30/50/01/991305001.db2.gz PCYCDOPTIBVMSQ-KBPBESRZSA-N 1 3 321.469 0.912 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001553195563 1015637416 /nfs/dbraw/zinc/63/74/16/1015637416.db2.gz BRAMKKIJGKCTLF-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC001553195563 1015637418 /nfs/dbraw/zinc/63/74/18/1015637418.db2.gz BRAMKKIJGKCTLF-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001392423947 991910752 /nfs/dbraw/zinc/91/07/52/991910752.db2.gz RVKDBADUZZMLAT-LSDHHAIUSA-N 1 3 311.470 0.974 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccnn1C ZINC001392480089 991986238 /nfs/dbraw/zinc/98/62/38/991986238.db2.gz MPXZZEUHMJNMLP-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccnn1C ZINC001392480089 991986245 /nfs/dbraw/zinc/98/62/45/991986245.db2.gz MPXZZEUHMJNMLP-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392487164 991991965 /nfs/dbraw/zinc/99/19/65/991991965.db2.gz IEUXDBFFPOMIDI-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001392487467 991995059 /nfs/dbraw/zinc/99/50/59/991995059.db2.gz MJRXXKWAKOTMTJ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001392508426 992024151 /nfs/dbraw/zinc/02/41/51/992024151.db2.gz CQQGDWLIPQPPIU-QWHCGFSZSA-N 1 3 307.442 0.665 20 0 DCADHO COc1ccc(CNC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001392523006 992043119 /nfs/dbraw/zinc/04/31/19/992043119.db2.gz GJCVHGDKJFDBNO-CYBMUJFWSA-N 1 3 318.421 0.780 20 0 DCADHO CC[C@@H](C)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392525946 992048249 /nfs/dbraw/zinc/04/82/49/992048249.db2.gz WSXPECBLSIERRB-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392576667 992117571 /nfs/dbraw/zinc/11/75/71/992117571.db2.gz UECIBCPIAVIGRX-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001392770693 992373289 /nfs/dbraw/zinc/37/32/89/992373289.db2.gz DOYFAIWNNGGJNN-BXUZGUMPSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCn2cccn2)CC1)N(C)C ZINC001392926638 992550906 /nfs/dbraw/zinc/55/09/06/992550906.db2.gz DZKGGVXHWXAIRD-CQSZACIVSA-N 1 3 307.442 0.708 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001393042047 992645172 /nfs/dbraw/zinc/64/51/72/992645172.db2.gz AWINCTVCDHZVFI-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)C[C@H](C)CN1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001393356068 992912312 /nfs/dbraw/zinc/91/23/12/992912312.db2.gz XYQPNMRJQZQJRB-HNNXBMFYSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001393448535 992998927 /nfs/dbraw/zinc/99/89/27/992998927.db2.gz XBYNAKHNBWSAFH-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001393859253 993301880 /nfs/dbraw/zinc/30/18/80/993301880.db2.gz GXQMWNRTQPHZSH-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001393969026 993381347 /nfs/dbraw/zinc/38/13/47/993381347.db2.gz AMSLYKADVKXXAG-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCn1cccn1 ZINC001394070647 993454385 /nfs/dbraw/zinc/45/43/85/993454385.db2.gz SARUKMQMCOHIES-GOEBONIOSA-N 1 3 319.453 0.661 20 0 DCADHO CCCC[C@@H](CN[C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001394205900 993540213 /nfs/dbraw/zinc/54/02/13/993540213.db2.gz PPGFKWDXNQARAA-KGLIPLIRSA-N 1 3 324.469 0.753 20 0 DCADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001394369983 993657506 /nfs/dbraw/zinc/65/75/06/993657506.db2.gz PYEMEKOFLPXXFQ-HDJSIYSDSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001394534447 993807438 /nfs/dbraw/zinc/80/74/38/993807438.db2.gz BDJDWXJLPVWELI-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001394548632 993817068 /nfs/dbraw/zinc/81/70/68/993817068.db2.gz ARXFGRLPJRADBH-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394548632 993817070 /nfs/dbraw/zinc/81/70/70/993817070.db2.gz ARXFGRLPJRADBH-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001394620374 993921814 /nfs/dbraw/zinc/92/18/14/993921814.db2.gz PCOXTJVRLMEIMN-VXGBXAGGSA-N 1 3 307.385 0.439 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]CC1CC(F)(F)C1 ZINC001394646057 993961284 /nfs/dbraw/zinc/96/12/84/993961284.db2.gz NAHRWKWCTSDOTG-LBPRGKRZSA-N 1 3 307.385 0.439 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001399948155 993970746 /nfs/dbraw/zinc/97/07/46/993970746.db2.gz MJUBGHQBOCHJDF-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001399948155 993970755 /nfs/dbraw/zinc/97/07/55/993970755.db2.gz MJUBGHQBOCHJDF-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001394666750 993994910 /nfs/dbraw/zinc/99/49/10/993994910.db2.gz FTIQJBDIIHSZJT-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC2CC2)C[C@H]1C ZINC001394671165 994001803 /nfs/dbraw/zinc/00/18/03/994001803.db2.gz PXKOFOZXVSTCAK-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC2CC2)C[C@H]1C ZINC001394671165 994001813 /nfs/dbraw/zinc/00/18/13/994001813.db2.gz PXKOFOZXVSTCAK-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@@H](O)C[NH2+]Cc1cccnc1)C(=O)CN(C)C1CCC1 ZINC001394746399 994098894 /nfs/dbraw/zinc/09/88/94/994098894.db2.gz YSMIDRHTFZZJEJ-INIZCTEOSA-N 1 3 320.437 0.475 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001400060516 994117065 /nfs/dbraw/zinc/11/70/65/994117065.db2.gz ZXASLAAGWHBARB-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001400060516 994117072 /nfs/dbraw/zinc/11/70/72/994117072.db2.gz ZXASLAAGWHBARB-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001400151953 994204106 /nfs/dbraw/zinc/20/41/06/994204106.db2.gz QWQYVIWGEHHIGH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001400151953 994204115 /nfs/dbraw/zinc/20/41/15/994204115.db2.gz QWQYVIWGEHHIGH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400160767 994217356 /nfs/dbraw/zinc/21/73/56/994217356.db2.gz YKANBPRSDSULNH-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400160767 994217369 /nfs/dbraw/zinc/21/73/69/994217369.db2.gz YKANBPRSDSULNH-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001400173202 994234455 /nfs/dbraw/zinc/23/44/55/994234455.db2.gz JIPFJEHWHXZMAG-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001400187727 994253763 /nfs/dbraw/zinc/25/37/63/994253763.db2.gz VDXXVKLRQGSQDC-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001400187727 994253771 /nfs/dbraw/zinc/25/37/71/994253771.db2.gz VDXXVKLRQGSQDC-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001400252842 994341627 /nfs/dbraw/zinc/34/16/27/994341627.db2.gz XIUXRHYKFDJGII-DZGCQCFKSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001400252842 994341638 /nfs/dbraw/zinc/34/16/38/994341638.db2.gz XIUXRHYKFDJGII-DZGCQCFKSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)NCC(N)=O ZINC001400818552 994973085 /nfs/dbraw/zinc/97/30/85/994973085.db2.gz IULFUDFYWPYODM-LBPRGKRZSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCC(N)=O ZINC001400818552 994973096 /nfs/dbraw/zinc/97/30/96/994973096.db2.gz IULFUDFYWPYODM-LBPRGKRZSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)NCC(N)=O ZINC001400818548 994973271 /nfs/dbraw/zinc/97/32/71/994973271.db2.gz IULFUDFYWPYODM-GFCCVEGCSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCC(N)=O ZINC001400818548 994973284 /nfs/dbraw/zinc/97/32/84/994973284.db2.gz IULFUDFYWPYODM-GFCCVEGCSA-N 1 3 312.458 0.609 20 0 DCADHO COC[C@H](O)C[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001400981597 995101550 /nfs/dbraw/zinc/10/15/50/995101550.db2.gz AUAFKOOSNYKHKK-CYBMUJFWSA-N 1 3 324.425 0.287 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001396405745 995371075 /nfs/dbraw/zinc/37/10/75/995371075.db2.gz FVBHOPWMVXBWJK-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001396405745 995371083 /nfs/dbraw/zinc/37/10/83/995371083.db2.gz FVBHOPWMVXBWJK-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001396477288 995420569 /nfs/dbraw/zinc/42/05/69/995420569.db2.gz IBRYAZGKPCHBPB-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396477288 995420574 /nfs/dbraw/zinc/42/05/74/995420574.db2.gz IBRYAZGKPCHBPB-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCc1cnn(C)c1 ZINC001507092690 1015975873 /nfs/dbraw/zinc/97/58/73/1015975873.db2.gz ZZVHDOQIDCZIAJ-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C1CC[NH+](C)CC1 ZINC001510834062 1015995822 /nfs/dbraw/zinc/99/58/22/1015995822.db2.gz BPLJBHPAGUVJMO-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507124907 1016004003 /nfs/dbraw/zinc/00/40/03/1016004003.db2.gz FGPQYXTWJIXRKZ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507124907 1016004013 /nfs/dbraw/zinc/00/40/13/1016004013.db2.gz FGPQYXTWJIXRKZ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001507124907 1016004025 /nfs/dbraw/zinc/00/40/25/1016004025.db2.gz FGPQYXTWJIXRKZ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507124906 1016005914 /nfs/dbraw/zinc/00/59/14/1016005914.db2.gz FGPQYXTWJIXRKZ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507124906 1016005922 /nfs/dbraw/zinc/00/59/22/1016005922.db2.gz FGPQYXTWJIXRKZ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507124906 1016005930 /nfs/dbraw/zinc/00/59/30/1016005930.db2.gz FGPQYXTWJIXRKZ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001397735736 996149269 /nfs/dbraw/zinc/14/92/69/996149269.db2.gz VOFJYMKNCMJURX-LBPRGKRZSA-N 1 3 321.425 0.638 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001397735736 996149271 /nfs/dbraw/zinc/14/92/71/996149271.db2.gz VOFJYMKNCMJURX-LBPRGKRZSA-N 1 3 321.425 0.638 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCCN1CCCC1=O ZINC001507126421 1016010100 /nfs/dbraw/zinc/01/01/00/1016010100.db2.gz AUZGUFIPLYOGKW-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO CN(CCn1cncn1)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001397816457 996188797 /nfs/dbraw/zinc/18/87/97/996188797.db2.gz UHPDAUARTKRZLZ-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O)CC1 ZINC001507144141 1016027288 /nfs/dbraw/zinc/02/72/88/1016027288.db2.gz XNFOZQNFMDCYLS-CHWSQXEVSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001507144801 1016029726 /nfs/dbraw/zinc/02/97/26/1016029726.db2.gz PODIUKQKYLYDSY-QWHCGFSZSA-N 1 3 324.469 0.419 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001398562568 996574114 /nfs/dbraw/zinc/57/41/14/996574114.db2.gz ZEHAKNVTVVYVSW-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001398618330 996606847 /nfs/dbraw/zinc/60/68/47/996606847.db2.gz FQZZXFUVAPASKR-YIYPIFLZSA-N 1 3 312.458 0.286 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001398631239 996613612 /nfs/dbraw/zinc/61/36/12/996613612.db2.gz XIMZJIHEQJBQSO-MELADBBJSA-N 1 3 324.469 0.622 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001398670294 996630987 /nfs/dbraw/zinc/63/09/87/996630987.db2.gz VLSLOGDWCBKRRA-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001398828532 996705871 /nfs/dbraw/zinc/70/58/71/996705871.db2.gz LBKNNHWQYGYEBA-OSBBLCOHSA-N 1 3 321.465 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001398828532 996705874 /nfs/dbraw/zinc/70/58/74/996705874.db2.gz LBKNNHWQYGYEBA-OSBBLCOHSA-N 1 3 321.465 0.800 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001398968031 996781217 /nfs/dbraw/zinc/78/12/17/996781217.db2.gz VTZYCXBMIPNBCZ-ZIAGYGMSSA-N 1 3 308.430 0.247 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC(C)(C)C ZINC001399123824 996998911 /nfs/dbraw/zinc/99/89/11/996998911.db2.gz SFTMSTHJSUCFIW-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC(C)(C)C ZINC001399123824 996998923 /nfs/dbraw/zinc/99/89/23/996998923.db2.gz SFTMSTHJSUCFIW-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCC(=O)N1CCCC1 ZINC001399166144 997043539 /nfs/dbraw/zinc/04/35/39/997043539.db2.gz QEAHZTJKQFRGNA-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001399223719 997097226 /nfs/dbraw/zinc/09/72/26/997097226.db2.gz GYUNBYKKYVBOFY-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C(=O)CN1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001404512665 997188819 /nfs/dbraw/zinc/18/88/19/997188819.db2.gz JRKJTRQPHUJCPS-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001404640219 997320567 /nfs/dbraw/zinc/32/05/67/997320567.db2.gz UVLJSLHSLDEXKR-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404640219 997320581 /nfs/dbraw/zinc/32/05/81/997320581.db2.gz UVLJSLHSLDEXKR-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001399420802 997345724 /nfs/dbraw/zinc/34/57/24/997345724.db2.gz SDYDDMNIVNBLLL-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001502890540 1016118962 /nfs/dbraw/zinc/11/89/62/1016118962.db2.gz FFLHMKPBIKOCFV-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001502890540 1016118967 /nfs/dbraw/zinc/11/89/67/1016118967.db2.gz FFLHMKPBIKOCFV-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001503593296 1016166497 /nfs/dbraw/zinc/16/64/97/1016166497.db2.gz WVNVSBOWZDOYHS-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001503593296 1016166503 /nfs/dbraw/zinc/16/65/03/1016166503.db2.gz WVNVSBOWZDOYHS-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1ccnn1C ZINC001405288082 998066616 /nfs/dbraw/zinc/06/66/16/998066616.db2.gz OESKIWVCOBSVON-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cnn(C)c1 ZINC001405332022 998118230 /nfs/dbraw/zinc/11/82/30/998118230.db2.gz HBSMKLRLSXAAIR-AWEZNQCLSA-N 1 3 305.426 0.500 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001405404481 998196693 /nfs/dbraw/zinc/19/66/93/998196693.db2.gz WNIUUKIUVNVIKZ-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001405408846 998198446 /nfs/dbraw/zinc/19/84/46/998198446.db2.gz MTJHGCMOBMXBDM-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401232137 1000292342 /nfs/dbraw/zinc/29/23/42/1000292342.db2.gz FBIHDFRQYVXBQR-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001401238833 1000298837 /nfs/dbraw/zinc/29/88/37/1000298837.db2.gz AQYWFAAYOIWDLF-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@H]1CC(C)(C)CO1 ZINC001418512815 1000299988 /nfs/dbraw/zinc/29/99/88/1000299988.db2.gz RJPYBGSZYOQDMG-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+]C[C@H](C)O ZINC001418747785 1000491249 /nfs/dbraw/zinc/49/12/49/1000491249.db2.gz QYXTXUKVYUEJNA-RRFJBIMHSA-N 1 3 315.458 0.161 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001418826075 1000553955 /nfs/dbraw/zinc/55/39/55/1000553955.db2.gz HZDDFYLTAKEREA-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)CC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001401649628 1000590024 /nfs/dbraw/zinc/59/00/24/1000590024.db2.gz YALPQPONMSEVIC-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N1CCCC1)[NH+](C)C ZINC001401703088 1000641691 /nfs/dbraw/zinc/64/16/91/1000641691.db2.gz GJASLYKKWYBPSG-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001401871148 1000804052 /nfs/dbraw/zinc/80/40/52/1000804052.db2.gz NDMZMIRAKYXEGH-MRXNPFEDSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401873761 1000807867 /nfs/dbraw/zinc/80/78/67/1000807867.db2.gz SYWRWADLMNVNCU-HIFRSBDPSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401873761 1000807872 /nfs/dbraw/zinc/80/78/72/1000807872.db2.gz SYWRWADLMNVNCU-HIFRSBDPSA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCCC1 ZINC001419217221 1000885846 /nfs/dbraw/zinc/88/58/46/1000885846.db2.gz GGAWIWZKWCGSDM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001419276862 1000942799 /nfs/dbraw/zinc/94/27/99/1000942799.db2.gz NLWJZWCOOFUTIC-HUUCEWRRSA-N 1 3 307.442 0.745 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402039315 1000966107 /nfs/dbraw/zinc/96/61/07/1000966107.db2.gz LCHNCBGTRSHIPF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)N1CCCCCC1 ZINC001419338853 1000987223 /nfs/dbraw/zinc/98/72/23/1000987223.db2.gz COGDVEGOOMDZJZ-CXAGYDPISA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001419375502 1001008586 /nfs/dbraw/zinc/00/85/86/1001008586.db2.gz GJDYZLZWIAMSOB-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)N(C)C ZINC001419422338 1001037824 /nfs/dbraw/zinc/03/78/24/1001037824.db2.gz VYTVCQRRAXKTRZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)N(C)C ZINC001419422338 1001037833 /nfs/dbraw/zinc/03/78/33/1001037833.db2.gz VYTVCQRRAXKTRZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001419432477 1001045514 /nfs/dbraw/zinc/04/55/14/1001045514.db2.gz PTCKDDHREYBXIE-MGPQQGTHSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001419469715 1001077297 /nfs/dbraw/zinc/07/72/97/1001077297.db2.gz QSIUKIHXXTWGCR-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)N1CCCC1 ZINC001419471217 1001079969 /nfs/dbraw/zinc/07/99/69/1001079969.db2.gz PPYOCIWOKWWVRF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001402179228 1001090746 /nfs/dbraw/zinc/09/07/46/1001090746.db2.gz SUUMFZNGJXWPKN-XJKSGUPXSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)CC(C)(C)C ZINC001419489962 1001093315 /nfs/dbraw/zinc/09/33/15/1001093315.db2.gz HQCWLUVJUSBTFO-MJBXVCDLSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(=O)N(C)C ZINC001419517197 1001109226 /nfs/dbraw/zinc/10/92/26/1001109226.db2.gz VQOMMYYPBVTXOM-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)OCC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001402314652 1001207989 /nfs/dbraw/zinc/20/79/89/1001207989.db2.gz MAXBYENJZKQFFU-MRXNPFEDSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)OCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001402314652 1001207993 /nfs/dbraw/zinc/20/79/93/1001207993.db2.gz MAXBYENJZKQFFU-MRXNPFEDSA-N 1 3 315.458 0.305 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001419803893 1001320448 /nfs/dbraw/zinc/32/04/48/1001320448.db2.gz IJXZRGMLZGMKHN-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001419803893 1001320453 /nfs/dbraw/zinc/32/04/53/1001320453.db2.gz IJXZRGMLZGMKHN-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001402452514 1001324177 /nfs/dbraw/zinc/32/41/77/1001324177.db2.gz QNBDEHALEQKGHC-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCC[C@H]1C ZINC001419828092 1001338092 /nfs/dbraw/zinc/33/80/92/1001338092.db2.gz BRRUOQWSGFRBQS-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001419853968 1001357673 /nfs/dbraw/zinc/35/76/73/1001357673.db2.gz QZSWDEWTEPCTOY-KGLIPLIRSA-N 1 3 320.437 0.321 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001402492039 1001357842 /nfs/dbraw/zinc/35/78/42/1001357842.db2.gz IUJMTNYWLRQBKQ-HAQNSBGRSA-N 1 3 306.414 0.036 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001402512781 1001370772 /nfs/dbraw/zinc/37/07/72/1001370772.db2.gz SLVYSQJRARYUKK-UMVBOHGHSA-N 1 3 312.458 0.334 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001402564171 1001410535 /nfs/dbraw/zinc/41/05/35/1001410535.db2.gz WPWYGGQEMLMIRW-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505732894 1016503257 /nfs/dbraw/zinc/50/32/57/1016503257.db2.gz NBLCOXMZEULPFC-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1ccnn1C ZINC001402924067 1001581184 /nfs/dbraw/zinc/58/11/84/1001581184.db2.gz GMEGTYODICPSRA-ZDUSSCGKSA-N 1 3 305.426 0.643 20 0 DCADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH2+]CCn1cncn1 ZINC001402989994 1001620968 /nfs/dbraw/zinc/62/09/68/1001620968.db2.gz CXOOETZDQMQFOF-KBPBESRZSA-N 1 3 324.473 0.739 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001403041849 1001646487 /nfs/dbraw/zinc/64/64/87/1001646487.db2.gz HYHGNTWPVCPOFD-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001403079831 1001664908 /nfs/dbraw/zinc/66/49/08/1001664908.db2.gz HRUYNSLFKMSOPA-STQMWFEESA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCN(C)C1=O ZINC001403130043 1001687272 /nfs/dbraw/zinc/68/72/72/1001687272.db2.gz FTEMREWXEUYENZ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCc1ccnn1C ZINC001403169236 1001704792 /nfs/dbraw/zinc/70/47/92/1001704792.db2.gz QDTXWOGSSDBXGV-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001419943600 1001711618 /nfs/dbraw/zinc/71/16/18/1001711618.db2.gz OHCFKVABILXKIW-HOCLYGCPSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001419943600 1001711623 /nfs/dbraw/zinc/71/16/23/1001711623.db2.gz OHCFKVABILXKIW-HOCLYGCPSA-N 1 3 321.469 0.992 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001420197466 1002022374 /nfs/dbraw/zinc/02/23/74/1002022374.db2.gz CAHSTCLGKZPUJD-JKSUJKDBSA-N 1 3 322.453 0.543 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001424850084 1002096171 /nfs/dbraw/zinc/09/61/71/1002096171.db2.gz HGMYMOHVEWLPEJ-CHWSQXEVSA-N 1 3 314.474 0.724 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001424860343 1002101984 /nfs/dbraw/zinc/10/19/84/1002101984.db2.gz RYBDQIQHCPXATO-CHWSQXEVSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@H](NCC(=O)NC(C)(C)C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001424868501 1002108881 /nfs/dbraw/zinc/10/88/81/1002108881.db2.gz ZCIQJHKQTZHXDN-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001420297595 1002184416 /nfs/dbraw/zinc/18/44/16/1002184416.db2.gz CEPBBJNEZBBJGW-NEPJUHHUSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)N(C)CCn1cncn1 ZINC001424968132 1002194358 /nfs/dbraw/zinc/19/43/58/1002194358.db2.gz RPFSONLBXKXKRT-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)N(C)CCn1cncn1 ZINC001424968132 1002194364 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0.195 20 0 DCADHO CO[C@@H](CN(C)CCNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001403731527 1002434860 /nfs/dbraw/zinc/43/48/60/1002434860.db2.gz KGTYBJJACARUMG-HNNXBMFYSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001403737889 1002443541 /nfs/dbraw/zinc/44/35/41/1002443541.db2.gz QJAFFWWWDGWMPI-ZIAGYGMSSA-N 1 3 320.441 0.155 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001403737889 1002443546 /nfs/dbraw/zinc/44/35/46/1002443546.db2.gz QJAFFWWWDGWMPI-ZIAGYGMSSA-N 1 3 320.441 0.155 20 0 DCADHO COC[C@H](O)CN1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001425219615 1002452369 /nfs/dbraw/zinc/45/23/69/1002452369.db2.gz ITDAQRQEHOSGNV-YUELXQCFSA-N 1 3 315.458 0.016 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)CC(F)(F)F ZINC001403765138 1002490603 /nfs/dbraw/zinc/49/06/03/1002490603.db2.gz ABRCKWJSRTYUOV-QWRGUYRKSA-N 1 3 311.348 0.299 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)CC(F)(F)F ZINC001403765138 1002490610 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324.469 0.386 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001425346366 1002589277 /nfs/dbraw/zinc/58/92/77/1002589277.db2.gz DJLNFDBZQOTZQJ-TUVASFSCSA-N 1 3 311.470 0.639 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001425346366 1002589288 /nfs/dbraw/zinc/58/92/88/1002589288.db2.gz DJLNFDBZQOTZQJ-TUVASFSCSA-N 1 3 311.470 0.639 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCc2cccnc2)CC[N@@H+]1C ZINC001403849413 1002624051 /nfs/dbraw/zinc/62/40/51/1002624051.db2.gz WMXDRQNEJWJBFZ-FVQBIDKESA-N 1 3 320.437 0.331 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCc2cccnc2)CC[N@H+]1C ZINC001403849413 1002624054 /nfs/dbraw/zinc/62/40/54/1002624054.db2.gz WMXDRQNEJWJBFZ-FVQBIDKESA-N 1 3 320.437 0.331 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001425807866 1003133366 /nfs/dbraw/zinc/13/33/66/1003133366.db2.gz VFJPYIIBEACOKV-HOTGVXAUSA-N 1 3 307.438 0.902 20 0 DCADHO 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/nfs/dbraw/zinc/48/67/68/1003486768.db2.gz ZOIDCNYJFOVUFC-DOMZBBRYSA-N 1 3 307.398 0.044 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001406301815 1003585215 /nfs/dbraw/zinc/58/52/15/1003585215.db2.gz LXJAWZQRROMPPC-CHWSQXEVSA-N 1 3 321.412 0.829 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCCN1CC ZINC001406318524 1003599394 /nfs/dbraw/zinc/59/93/94/1003599394.db2.gz HTXUUHBQKFWVDC-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001428325542 1003865559 /nfs/dbraw/zinc/86/55/59/1003865559.db2.gz OYCAAFNAPHFVCE-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001428325542 1003865572 /nfs/dbraw/zinc/86/55/72/1003865572.db2.gz OYCAAFNAPHFVCE-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001426606139 1003903197 /nfs/dbraw/zinc/90/31/97/1003903197.db2.gz JARNFPPUPAWXNI-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001426606139 1003903204 /nfs/dbraw/zinc/90/32/04/1003903204.db2.gz JARNFPPUPAWXNI-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001406652418 1003968552 /nfs/dbraw/zinc/96/85/52/1003968552.db2.gz STRMWNMFPLVEDE-AWEZNQCLSA-N 1 3 322.457 0.589 20 0 DCADHO CCn1nncc1CNC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001406955946 1004257737 /nfs/dbraw/zinc/25/77/37/1004257737.db2.gz IMMBYLKDMUXTLA-AWEZNQCLSA-N 1 3 320.441 0.521 20 0 DCADHO CCn1nncc1CNC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001406955946 1004257746 /nfs/dbraw/zinc/25/77/46/1004257746.db2.gz IMMBYLKDMUXTLA-AWEZNQCLSA-N 1 3 320.441 0.521 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CCCC1 ZINC001407136476 1004412443 /nfs/dbraw/zinc/41/24/43/1004412443.db2.gz AIHWOXQPYMPHCV-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](F)CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001407356722 1004582446 /nfs/dbraw/zinc/58/24/46/1004582446.db2.gz ZSSUSQQOVUYNNX-UKRRQHHQSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001407356722 1004582449 /nfs/dbraw/zinc/58/24/49/1004582449.db2.gz ZSSUSQQOVUYNNX-UKRRQHHQSA-N 1 3 315.433 0.772 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCCF)C1)CC(C)(C)C ZINC001407362248 1004590560 /nfs/dbraw/zinc/59/05/60/1004590560.db2.gz LNLNZMSMRNKOMB-MRXNPFEDSA-N 1 3 317.449 0.877 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1)CC(C)(C)C ZINC001407362248 1004590567 /nfs/dbraw/zinc/59/05/67/1004590567.db2.gz LNLNZMSMRNKOMB-MRXNPFEDSA-N 1 3 317.449 0.877 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001429430818 1004593143 /nfs/dbraw/zinc/59/31/43/1004593143.db2.gz CLHRMBDTPMJQOR-APIJFGDWSA-N 1 3 322.453 0.280 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](C/C=C\Cl)C1 ZINC001407367225 1004596011 /nfs/dbraw/zinc/59/60/11/1004596011.db2.gz CVYIFCREUURLDT-OTDCPUGPSA-N 1 3 315.845 0.776 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](C/C=C\Cl)C1 ZINC001407367225 1004596017 /nfs/dbraw/zinc/59/60/17/1004596017.db2.gz CVYIFCREUURLDT-OTDCPUGPSA-N 1 3 315.845 0.776 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407537018 1004718343 /nfs/dbraw/zinc/71/83/43/1004718343.db2.gz KCNHYHQXHXOCAP-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO CN(CC(=O)N1CCC(NC(=O)CC[NH+](C)C)CC1)C1CCC1 ZINC001429671998 1004723685 /nfs/dbraw/zinc/72/36/85/1004723685.db2.gz GGWIDXIKBKSOOR-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)N1CCC[C@](CO)([NH2+]CC2CC2)C1)C1CCC1 ZINC001408034537 1004995522 /nfs/dbraw/zinc/99/55/22/1004995522.db2.gz JICGVBYMTBPYEG-KRWDZBQOSA-N 1 3 309.454 0.824 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001414510594 1005349863 /nfs/dbraw/zinc/34/98/63/1005349863.db2.gz FOKWUDZHYSOIDI-UHFFFAOYSA-N 1 3 322.453 0.095 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001415006092 1005440867 /nfs/dbraw/zinc/44/08/67/1005440867.db2.gz FXJASBOFODFLLH-GASCZTMLSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C1(C(=O)NC2(CNC(=O)CC[NH+](C)C)CC2)CCC1 ZINC001417195552 1005802008 /nfs/dbraw/zinc/80/20/08/1005802008.db2.gz QPBWAFPTSGVCQY-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001417778449 1005888922 /nfs/dbraw/zinc/88/89/22/1005888922.db2.gz UUPJFUYXHGABJQ-OTVXOJSOSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C2CC2)CCC1 ZINC001417983710 1005947635 /nfs/dbraw/zinc/94/76/35/1005947635.db2.gz HZTWRLAYZFGXTI-UONOGXRCSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417994610 1005949976 /nfs/dbraw/zinc/94/99/76/1005949976.db2.gz NEZHTPJCQXTIFQ-HNNXBMFYSA-N 1 3 307.442 0.665 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001418041406 1005970687 /nfs/dbraw/zinc/97/06/87/1005970687.db2.gz LAFICJRVFRMNPL-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)(C)NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001418046224 1005975372 /nfs/dbraw/zinc/97/53/72/1005975372.db2.gz ISGNASQUDZCUBZ-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001438655700 1005997112 /nfs/dbraw/zinc/99/71/12/1005997112.db2.gz VUXVETFEEDUTAP-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001418072224 1006003261 /nfs/dbraw/zinc/00/32/61/1006003261.db2.gz WAVTWYJNPIZMJV-YDHLFZDLSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001418099686 1006037295 /nfs/dbraw/zinc/03/72/95/1006037295.db2.gz ZEKIEUUUIDDHFK-LJISPDSOSA-N 1 3 324.469 0.573 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001418107524 1006047907 /nfs/dbraw/zinc/04/79/07/1006047907.db2.gz BJPIVOOBEJRDEB-MJBXVCDLSA-N 1 3 308.430 0.101 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)C1 ZINC001514722268 1017020202 /nfs/dbraw/zinc/02/02/02/1017020202.db2.gz PVSYTLWIKBSLBP-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001418236595 1006223352 /nfs/dbraw/zinc/22/33/52/1006223352.db2.gz QMVKSOQXVNLETE-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)N(C)C)C1 ZINC001438942728 1006252933 /nfs/dbraw/zinc/25/29/33/1006252933.db2.gz AHLJQKCDINHNJI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)N(C)C)C1 ZINC001438942728 1006252945 /nfs/dbraw/zinc/25/29/45/1006252945.db2.gz AHLJQKCDINHNJI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](F)CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001439005562 1006344484 /nfs/dbraw/zinc/34/44/84/1006344484.db2.gz XVLAFHGJEZGWNJ-QWHCGFSZSA-N 1 3 301.406 0.430 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccsc2)C1 ZINC001439025628 1006377563 /nfs/dbraw/zinc/37/75/63/1006377563.db2.gz XAPQEPOGTGSIRD-OCCSQVGLSA-N 1 3 311.451 0.657 20 0 DCADHO C[C@@H]([NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1)C(N)=O ZINC001436805202 1006379353 /nfs/dbraw/zinc/37/93/53/1006379353.db2.gz GSGKHPLUVRVAPO-YPMHNXCESA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]CC1CC2(CCC2)C1 ZINC001439065136 1006426402 /nfs/dbraw/zinc/42/64/02/1006426402.db2.gz ZBWUASCVXSKLAZ-OAHLLOKOSA-N 1 3 311.470 0.974 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439081288 1006448938 /nfs/dbraw/zinc/44/89/38/1006448938.db2.gz RCBZPDXUMXEBEL-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439081288 1006448945 /nfs/dbraw/zinc/44/89/45/1006448945.db2.gz RCBZPDXUMXEBEL-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001439153921 1006518337 /nfs/dbraw/zinc/51/83/37/1006518337.db2.gz MBHAMHDKHDSYIV-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001437017188 1006531777 /nfs/dbraw/zinc/53/17/77/1006531777.db2.gz CLOFQVSDSKXJOM-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001439182671 1006551711 /nfs/dbraw/zinc/55/17/11/1006551711.db2.gz SJCXIVYOQPVCGB-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O)CC(C)(C)C ZINC001437050483 1006553007 /nfs/dbraw/zinc/55/30/07/1006553007.db2.gz VGGSZGKEAADOSS-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001437058133 1006557553 /nfs/dbraw/zinc/55/75/53/1006557553.db2.gz PKYGWLARHNTTIS-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001437133827 1006630913 /nfs/dbraw/zinc/63/09/13/1006630913.db2.gz FZQKLDMCABHGFD-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCCC1 ZINC001437142958 1006639598 /nfs/dbraw/zinc/63/95/98/1006639598.db2.gz FNBKRQOIOYNFSE-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(=O)N(C)C ZINC001437176573 1006677045 /nfs/dbraw/zinc/67/70/45/1006677045.db2.gz YCOBEJAIXPPHLO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCn2cncn2)CC[N@@H+]1C ZINC001439323932 1006700110 /nfs/dbraw/zinc/70/01/10/1006700110.db2.gz HHAITEBYZXVVBO-SOUVJXGZSA-N 1 3 322.457 0.445 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)CCn2cncn2)CC[N@H+]1C ZINC001439323932 1006700118 /nfs/dbraw/zinc/70/01/18/1006700118.db2.gz HHAITEBYZXVVBO-SOUVJXGZSA-N 1 3 322.457 0.445 20 0 DCADHO CN(C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001437289474 1006804374 /nfs/dbraw/zinc/80/43/74/1006804374.db2.gz KLLBVFMBTXTKML-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001437289474 1006804384 /nfs/dbraw/zinc/80/43/84/1006804384.db2.gz KLLBVFMBTXTKML-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001437289121 1006804428 /nfs/dbraw/zinc/80/44/28/1006804428.db2.gz BRJDQTGCPNRWJN-HNNXBMFYSA-N 1 3 307.442 0.761 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437308481 1006826199 /nfs/dbraw/zinc/82/61/99/1006826199.db2.gz KNMYRDCCIGTLPI-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001439500318 1006927397 /nfs/dbraw/zinc/92/73/97/1006927397.db2.gz TZDFWQIZQQKRAD-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001452623192 1006946591 /nfs/dbraw/zinc/94/65/91/1006946591.db2.gz VIJVJPUEYAGPNF-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H]([NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001439891312 1007288556 /nfs/dbraw/zinc/28/85/56/1007288556.db2.gz OKPOUMCEBBEFTB-BBRMVZONSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001440350270 1007689390 /nfs/dbraw/zinc/68/93/90/1007689390.db2.gz DEKGYPJZNFRHHJ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001440350270 1007689398 /nfs/dbraw/zinc/68/93/98/1007689398.db2.gz DEKGYPJZNFRHHJ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001440401006 1007730905 /nfs/dbraw/zinc/73/09/05/1007730905.db2.gz IDLVITKEGQLFDU-HZSPNIEDSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440461831 1007796754 /nfs/dbraw/zinc/79/67/54/1007796754.db2.gz MLAJQIXWRBGJHZ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001440468720 1007799432 /nfs/dbraw/zinc/79/94/32/1007799432.db2.gz PKMYAXWOQOEOAY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001440468720 1007799440 /nfs/dbraw/zinc/79/94/40/1007799440.db2.gz PKMYAXWOQOEOAY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001438370545 1007863314 /nfs/dbraw/zinc/86/33/14/1007863314.db2.gz PZXMPKUIRRPBQH-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001438370545 1007863323 /nfs/dbraw/zinc/86/33/23/1007863323.db2.gz PZXMPKUIRRPBQH-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC(C)C ZINC001438375201 1007870132 /nfs/dbraw/zinc/87/01/32/1007870132.db2.gz WSMCXBBWXOANBZ-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC(C)C ZINC001438375201 1007870137 /nfs/dbraw/zinc/87/01/37/1007870137.db2.gz WSMCXBBWXOANBZ-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CNCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001438406026 1007883628 /nfs/dbraw/zinc/88/36/28/1007883628.db2.gz LDGFGHYAZWJXSI-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001438406026 1007883634 /nfs/dbraw/zinc/88/36/34/1007883634.db2.gz LDGFGHYAZWJXSI-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001440592279 1007906825 /nfs/dbraw/zinc/90/68/25/1007906825.db2.gz XHOIJBPRKAZCTM-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCN(C)C1=O ZINC001438465672 1007924947 /nfs/dbraw/zinc/92/49/47/1007924947.db2.gz IOHRMAOTWZPPKW-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCN(C)C1=O ZINC001438465672 1007924951 /nfs/dbraw/zinc/92/49/51/1007924951.db2.gz IOHRMAOTWZPPKW-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccn(C)n1 ZINC001438500115 1007951628 /nfs/dbraw/zinc/95/16/28/1007951628.db2.gz RKXKOSJHXZNTBO-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001440843065 1008060663 /nfs/dbraw/zinc/06/06/63/1008060663.db2.gz PSKYKPXERNREAI-RYUDHWBXSA-N 1 3 306.410 0.330 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001441006361 1008171422 /nfs/dbraw/zinc/17/14/22/1008171422.db2.gz XDVGVZJZKXRPNU-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)nn1C ZINC001441366030 1008333846 /nfs/dbraw/zinc/33/38/46/1008333846.db2.gz DYVCKJJLNSQYMY-HDJSIYSDSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001441652363 1008441385 /nfs/dbraw/zinc/44/13/85/1008441385.db2.gz OKSXGFGKIKFTDY-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001441652363 1008441389 /nfs/dbraw/zinc/44/13/89/1008441389.db2.gz OKSXGFGKIKFTDY-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001441695244 1008463357 /nfs/dbraw/zinc/46/33/57/1008463357.db2.gz JREBWJSOFGPBAW-HYVNUMGLSA-N 1 3 319.449 0.902 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001441695244 1008463361 /nfs/dbraw/zinc/46/33/61/1008463361.db2.gz JREBWJSOFGPBAW-HYVNUMGLSA-N 1 3 319.449 0.902 20 0 DCADHO CN(CC(=O)NC[C@H](CO)[NH2+]CC1CC(F)(F)C1)C1CCC1 ZINC001441704425 1008468721 /nfs/dbraw/zinc/46/87/21/1008468721.db2.gz BOVVZVVHSNFCAT-GFCCVEGCSA-N 1 3 319.396 0.583 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001441812385 1008513748 /nfs/dbraw/zinc/51/37/48/1008513748.db2.gz CXMXKTLQVRQBCP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001441823419 1008520082 /nfs/dbraw/zinc/52/00/82/1008520082.db2.gz MKDUJFLWUPYMTB-WCQYABFASA-N 1 3 308.430 0.534 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441825072 1008523314 /nfs/dbraw/zinc/52/33/14/1008523314.db2.gz MIWGNQOFHAVAOB-HIFRSBDPSA-N 1 3 324.469 0.195 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001421415564 1008550803 /nfs/dbraw/zinc/55/08/03/1008550803.db2.gz DEZPLULMDMOIJC-MBNYWOFBSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001421415564 1008550817 /nfs/dbraw/zinc/55/08/17/1008550817.db2.gz DEZPLULMDMOIJC-MBNYWOFBSA-N 1 3 310.442 0.090 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001441851251 1008575940 /nfs/dbraw/zinc/57/59/40/1008575940.db2.gz BMIGPDCDEJOSCJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001441851251 1008575954 /nfs/dbraw/zinc/57/59/54/1008575954.db2.gz BMIGPDCDEJOSCJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cccn1 ZINC001441866136 1008595117 /nfs/dbraw/zinc/59/51/17/1008595117.db2.gz NYRIPKPOJXCSNC-GJZGRUSLSA-N 1 3 307.442 0.852 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccnn1C ZINC001421446059 1008601749 /nfs/dbraw/zinc/60/17/49/1008601749.db2.gz ALOZZKLCSCGMMH-HUUCEWRRSA-N 1 3 321.469 0.789 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001421468121 1008627613 /nfs/dbraw/zinc/62/76/13/1008627613.db2.gz HQQHNFULARSHNR-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001421468121 1008627621 /nfs/dbraw/zinc/62/76/21/1008627621.db2.gz HQQHNFULARSHNR-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001441911863 1008648266 /nfs/dbraw/zinc/64/82/66/1008648266.db2.gz FFHPAYJVLJAGCU-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC[C@H](C)C1 ZINC001441938871 1008679257 /nfs/dbraw/zinc/67/92/57/1008679257.db2.gz MLYAJPWQBSKVSZ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@](C)(C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001421561203 1008730355 /nfs/dbraw/zinc/73/03/55/1008730355.db2.gz OEDNFMODAGYNET-RHSMWYFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001421563842 1008732584 /nfs/dbraw/zinc/73/25/84/1008732584.db2.gz VBQWTFYGZHWFQF-CABCVRRESA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001421572606 1008745190 /nfs/dbraw/zinc/74/51/90/1008745190.db2.gz SDEQIPPWRYQUMN-YOEHRIQHSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001442067648 1008923584 /nfs/dbraw/zinc/92/35/84/1008923584.db2.gz PTUDYTNZSQRRRS-ZIAGYGMSSA-N 1 3 312.458 0.430 20 0 DCADHO CCN(CC)C(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001421743835 1009021633 /nfs/dbraw/zinc/02/16/33/1009021633.db2.gz GILHPYHSPCFQHJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO Cc1nc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)n[nH]1 ZINC001421790500 1009095055 /nfs/dbraw/zinc/09/50/55/1009095055.db2.gz WXNYNRFGHUTQCB-GFCCVEGCSA-N 1 3 306.414 0.193 20 0 DCADHO Cc1nc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC2)n[nH]1 ZINC001421790500 1009095071 /nfs/dbraw/zinc/09/50/71/1009095071.db2.gz WXNYNRFGHUTQCB-GFCCVEGCSA-N 1 3 306.414 0.193 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001421894008 1009223538 /nfs/dbraw/zinc/22/35/38/1009223538.db2.gz HPUWABCEMWOGGK-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001421894008 1009223545 /nfs/dbraw/zinc/22/35/45/1009223545.db2.gz HPUWABCEMWOGGK-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001454738720 1009293587 /nfs/dbraw/zinc/29/35/87/1009293587.db2.gz LHVGEXAEKGNWLA-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)Cc1c[nH]cn1 ZINC001421957218 1009311694 /nfs/dbraw/zinc/31/16/94/1009311694.db2.gz LRGJNGJHZIOQMF-GFCCVEGCSA-N 1 3 317.393 0.288 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001421989247 1009366458 /nfs/dbraw/zinc/36/64/58/1009366458.db2.gz SLVXJZYWOYJDLW-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001422051217 1009438212 /nfs/dbraw/zinc/43/82/12/1009438212.db2.gz QRVKOCPSHXVJTG-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1(CO)CCN(C[C@H](C)O)CC1 ZINC001422194527 1009631432 /nfs/dbraw/zinc/63/14/32/1009631432.db2.gz KOEXFJVSSKQPBB-AWEZNQCLSA-N 1 3 315.458 0.042 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1(CO)CCN(C[C@H](C)O)CC1 ZINC001422194527 1009631436 /nfs/dbraw/zinc/63/14/36/1009631436.db2.gz KOEXFJVSSKQPBB-AWEZNQCLSA-N 1 3 315.458 0.042 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001434171387 1009633387 /nfs/dbraw/zinc/63/33/87/1009633387.db2.gz HALPWTPAWVLKDL-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001434171387 1009633392 /nfs/dbraw/zinc/63/33/92/1009633392.db2.gz HALPWTPAWVLKDL-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001422290888 1009793784 /nfs/dbraw/zinc/79/37/84/1009793784.db2.gz XMHNARCLDDSMMJ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCn3cncn3)C2)CCC1 ZINC001442863717 1009857996 /nfs/dbraw/zinc/85/79/96/1009857996.db2.gz LYEZTXYPFXDHAP-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)CCC1 ZINC001442863717 1009858009 /nfs/dbraw/zinc/85/80/09/1009858009.db2.gz LYEZTXYPFXDHAP-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)NCc1cnnn1C ZINC001422324495 1009875516 /nfs/dbraw/zinc/87/55/16/1009875516.db2.gz AZCOTCGPRQNCJO-QWHCGFSZSA-N 1 3 320.441 0.426 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1)N(C)C ZINC001422345088 1009921437 /nfs/dbraw/zinc/92/14/37/1009921437.db2.gz IWSUGRFFNQSJMY-JKSUJKDBSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@@H](NCc1cnn(C)c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001422374072 1009970840 /nfs/dbraw/zinc/97/08/40/1009970840.db2.gz FKWFPPLWXYRPQC-OLZOCXBDSA-N 1 3 307.442 0.745 20 0 DCADHO CN1CCC[C@H]1CC[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC001434468917 1009986735 /nfs/dbraw/zinc/98/67/35/1009986735.db2.gz HNLNNUUZVYZOAN-LBPRGKRZSA-N 1 3 320.441 0.685 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C(=O)[C@H]1CCCN1C)C1CC1 ZINC001455942871 1010049991 /nfs/dbraw/zinc/04/99/91/1010049991.db2.gz PJWQGINIJSOVML-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C(=O)[C@H]1CCCN1C)C1CC1 ZINC001455942871 1010050004 /nfs/dbraw/zinc/05/00/04/1010050004.db2.gz PJWQGINIJSOVML-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)C1(N(C)C)CCC1 ZINC001422441985 1010093272 /nfs/dbraw/zinc/09/32/72/1010093272.db2.gz BLDAZJUGQQLXDM-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001443249548 1010262870 /nfs/dbraw/zinc/26/28/70/1010262870.db2.gz ROMSUTGVWZWSFW-UKRRQHHQSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001422914926 1010736101 /nfs/dbraw/zinc/73/61/01/1010736101.db2.gz PGCGOCCINAPHEV-RBSFLKMASA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)N(C)C ZINC001443941938 1010766412 /nfs/dbraw/zinc/76/64/12/1010766412.db2.gz QYLUIDHLCQWNRA-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)N(C)C ZINC001443941938 1010766420 /nfs/dbraw/zinc/76/64/20/1010766420.db2.gz QYLUIDHLCQWNRA-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(=O)N2CCC2)C2CC2)C1 ZINC001423025574 1010818393 /nfs/dbraw/zinc/81/83/93/1010818393.db2.gz XZVNCYCTTJAGSU-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001444207608 1010905865 /nfs/dbraw/zinc/90/58/65/1010905865.db2.gz IYEORAWOFRSLDT-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C)n[nH]1 ZINC001423318918 1011072631 /nfs/dbraw/zinc/07/26/31/1011072631.db2.gz DDNGTQKGZDCMFJ-DGCLKSJQSA-N 1 3 320.441 0.534 20 0 DCADHO CC(C)N(C)CC(=O)N1[C@@H]2CCC[C@H]1CC([NH2+][C@H](C)C(N)=O)C2 ZINC001423317346 1011072701 /nfs/dbraw/zinc/07/27/01/1011072701.db2.gz FLFCMLCJGJBAID-FFHGMXDLSA-N 1 3 324.469 0.702 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)[C@H]1C ZINC001423320920 1011074700 /nfs/dbraw/zinc/07/47/00/1011074700.db2.gz BNQKHEWLSUELAJ-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cncn2C)C[C@@H]1C ZINC001423365312 1011103552 /nfs/dbraw/zinc/10/35/52/1011103552.db2.gz XNECFRFSILXXEP-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cncn2C)C[C@@H]1C ZINC001423365312 1011103555 /nfs/dbraw/zinc/10/35/55/1011103555.db2.gz XNECFRFSILXXEP-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO CN(C)C(=O)CN[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001423403086 1011126389 /nfs/dbraw/zinc/12/63/89/1011126389.db2.gz MAPNZCDEBKBAMO-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CN[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001423403086 1011126391 /nfs/dbraw/zinc/12/63/91/1011126391.db2.gz MAPNZCDEBKBAMO-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001423415654 1011134294 /nfs/dbraw/zinc/13/42/94/1011134294.db2.gz REHJLNFURXCBLL-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001444695021 1011134872 /nfs/dbraw/zinc/13/48/72/1011134872.db2.gz CGGCSWCSRFKLDZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001444695021 1011134875 /nfs/dbraw/zinc/13/48/75/1011134875.db2.gz CGGCSWCSRFKLDZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001423475994 1011175003 /nfs/dbraw/zinc/17/50/03/1011175003.db2.gz WQPHFSKUMVPUKC-GDBMZVCRSA-N 1 3 320.437 0.332 20 0 DCADHO CC(C)N(CCN(C)C(=O)Cc1c[nH]cn1)C(=O)CC[NH+](C)C ZINC001444842122 1011185456 /nfs/dbraw/zinc/18/54/56/1011185456.db2.gz YUTCMXMWPVXZEU-UHFFFAOYSA-N 1 3 323.441 0.599 20 0 DCADHO COCCN(C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001445073112 1011381549 /nfs/dbraw/zinc/38/15/49/1011381549.db2.gz UZUFZAPXVZXTRZ-UHFFFAOYSA-N 1 3 301.431 0.134 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001533534486 1011437148 /nfs/dbraw/zinc/43/71/48/1011437148.db2.gz AFRGRFZWQKWLIP-LLYBFZRZSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001533534486 1011437159 /nfs/dbraw/zinc/43/71/59/1011437159.db2.gz AFRGRFZWQKWLIP-LLYBFZRZSA-N 1 3 324.469 0.457 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C/C=C/Cl)C1 ZINC001423770311 1011518221 /nfs/dbraw/zinc/51/82/21/1011518221.db2.gz CVYIFCREUURLDT-BPFGOOJPSA-N 1 3 315.845 0.776 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C/C=C/Cl)C1 ZINC001423770311 1011518236 /nfs/dbraw/zinc/51/82/36/1011518236.db2.gz CVYIFCREUURLDT-BPFGOOJPSA-N 1 3 315.845 0.776 20 0 DCADHO CCN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001431694949 1011552194 /nfs/dbraw/zinc/55/21/94/1011552194.db2.gz GZOVPMDHHQZZJL-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2cncs2)C1 ZINC001445280607 1011609359 /nfs/dbraw/zinc/60/93/59/1011609359.db2.gz VAAICPAUGWDDDE-NEPJUHHUSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2cncs2)C1 ZINC001445280607 1011609355 /nfs/dbraw/zinc/60/93/55/1011609355.db2.gz VAAICPAUGWDDDE-NEPJUHHUSA-N 1 3 312.439 0.052 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@H](C)C(=O)NC ZINC001445311382 1011639863 /nfs/dbraw/zinc/63/98/63/1011639863.db2.gz ZYKFXUPDIQYION-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@H](C)C(=O)NC ZINC001445311382 1011639871 /nfs/dbraw/zinc/63/98/71/1011639871.db2.gz ZYKFXUPDIQYION-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001445433993 1011767844 /nfs/dbraw/zinc/76/78/44/1011767844.db2.gz KKOLNZLTXBFJCJ-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001432046491 1011905869 /nfs/dbraw/zinc/90/58/69/1011905869.db2.gz ZIZHWBPUCOSUQV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001432046491 1011905878 /nfs/dbraw/zinc/90/58/78/1011905878.db2.gz ZIZHWBPUCOSUQV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553448547 1011986149 /nfs/dbraw/zinc/98/61/49/1011986149.db2.gz XVQSHXPXCDHATL-HUUCEWRRSA-N 1 3 322.453 0.681 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001535964996 1012007652 /nfs/dbraw/zinc/00/76/52/1012007652.db2.gz LHUAEVCWMLVAJP-UHFFFAOYSA-N 1 3 321.425 0.367 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001535964996 1012007666 /nfs/dbraw/zinc/00/76/66/1012007666.db2.gz LHUAEVCWMLVAJP-UHFFFAOYSA-N 1 3 321.425 0.367 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC001553510072 1012053072 /nfs/dbraw/zinc/05/30/72/1012053072.db2.gz POMHTJAMIBJPKE-RDJZCZTQSA-N 1 3 322.453 0.777 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553523057 1012073763 /nfs/dbraw/zinc/07/37/63/1012073763.db2.gz ZWDSJZOTZZVLKK-GWUWNPHMSA-N 1 3 322.453 0.593 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553551012 1012100801 /nfs/dbraw/zinc/10/08/01/1012100801.db2.gz QLSSKEQAOCFPHR-FZKCQIBNSA-N 1 3 324.469 0.745 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001424261234 1012257141 /nfs/dbraw/zinc/25/71/41/1012257141.db2.gz PVCXHWUTEISJEG-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001424261234 1012257154 /nfs/dbraw/zinc/25/71/54/1012257154.db2.gz PVCXHWUTEISJEG-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001458802475 1012385036 /nfs/dbraw/zinc/38/50/36/1012385036.db2.gz JDYMDVKUFKZPRC-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO Cn1cc([C@@H]2C[N@H+](CC[C@H]3CCCN3C)C[C@@H]2C(N)=O)cn1 ZINC001548431505 1012625796 /nfs/dbraw/zinc/62/57/96/1012625796.db2.gz GNLRYFDERIMYIM-ILXRZTDVSA-N 1 3 305.426 0.405 20 0 DCADHO Cn1cc([C@@H]2C[N@@H+](CC[C@H]3CCCN3C)C[C@@H]2C(N)=O)cn1 ZINC001548431505 1012625807 /nfs/dbraw/zinc/62/58/07/1012625807.db2.gz GNLRYFDERIMYIM-ILXRZTDVSA-N 1 3 305.426 0.405 20 0 DCADHO CC1(C)CN(C(=O)[C@H](N)Cc2ccccc2)CC2(C[NH2+]C2)O1 ZINC001548575662 1012746905 /nfs/dbraw/zinc/74/69/05/1012746905.db2.gz HKRVDDKPWMMLDQ-CQSZACIVSA-N 1 3 303.406 0.536 20 0 DCADHO CC1(C)CN(C(=O)[C@@H]2CNCc3ccccc32)CC2(C[NH2+]C2)O1 ZINC001548578263 1012755124 /nfs/dbraw/zinc/75/51/24/1012755124.db2.gz KHKLBFJFAVQVFQ-OAHLLOKOSA-N 1 3 315.417 0.853 20 0 DCADHO CN(CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001429873054 1012896443 /nfs/dbraw/zinc/89/64/43/1012896443.db2.gz AIHCGVJBKCVZOB-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC001476679720 1017210992 /nfs/dbraw/zinc/21/09/92/1017210992.db2.gz UJZICFDUCJAAFR-CQSZACIVSA-N 1 3 318.425 0.923 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001479408663 1017543562 /nfs/dbraw/zinc/54/35/62/1017543562.db2.gz LINBWTPAOWOFAZ-BPUTZDHNSA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001506860124 1017621341 /nfs/dbraw/zinc/62/13/41/1017621341.db2.gz VLXHXXKEAGXEKR-HZSPNIEDSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001506860124 1017621344 /nfs/dbraw/zinc/62/13/44/1017621344.db2.gz VLXHXXKEAGXEKR-HZSPNIEDSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001506950438 1017695277 /nfs/dbraw/zinc/69/52/77/1017695277.db2.gz GOBJAVYIAOPSNF-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](CC)[C@H]1CCNC1=O ZINC001479861270 1017904633 /nfs/dbraw/zinc/90/46/33/1017904633.db2.gz LXJXYQSKDMSKSS-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](CC)[C@H]1CCNC1=O ZINC001479861270 1017904642 /nfs/dbraw/zinc/90/46/42/1017904642.db2.gz LXJXYQSKDMSKSS-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)[C@@H]1CCNC1=O ZINC001479861273 1017907644 /nfs/dbraw/zinc/90/76/44/1017907644.db2.gz LXJXYQSKDMSKSS-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@@H]1CCNC1=O ZINC001479861273 1017907651 /nfs/dbraw/zinc/90/76/51/1017907651.db2.gz LXJXYQSKDMSKSS-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1)N(C)C ZINC001480112641 1018215186 /nfs/dbraw/zinc/21/51/86/1018215186.db2.gz YJAJGJFJKMLGMF-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCCCN1CC)[NH2+]CC(=O)NC1CC1 ZINC001495147370 1018350596 /nfs/dbraw/zinc/35/05/96/1018350596.db2.gz YHYDVZHNIQTLSS-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@]1(NC(=O)C[NH+]2CCCC2)CCN(CCOCC(F)F)C1 ZINC001500290533 1018384622 /nfs/dbraw/zinc/38/46/22/1018384622.db2.gz UBQOXVIFVDSRHA-OAHLLOKOSA-N 1 3 319.396 0.945 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\CNCc2ccc(CO)cc2)C1 ZINC001497751116 1018387887 /nfs/dbraw/zinc/38/78/87/1018387887.db2.gz XMNPYTLKZSGGQR-KYVUIXNKSA-N 1 3 317.433 0.893 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNCc2ccc(CO)cc2)C1 ZINC001497751116 1018387897 /nfs/dbraw/zinc/38/78/97/1018387897.db2.gz XMNPYTLKZSGGQR-KYVUIXNKSA-N 1 3 317.433 0.893 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001495204460 1018393545 /nfs/dbraw/zinc/39/35/45/1018393545.db2.gz VUZUWBVZOLBHOM-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495204460 1018393560 /nfs/dbraw/zinc/39/35/60/1018393560.db2.gz VUZUWBVZOLBHOM-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001500382294 1018432311 /nfs/dbraw/zinc/43/23/11/1018432311.db2.gz OSIYRTHPHAGKOD-CJNGLKHVSA-N 1 3 308.426 0.941 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001497992594 1018567495 /nfs/dbraw/zinc/56/74/95/1018567495.db2.gz GDWVJGWXFGNZAE-ZIAGYGMSSA-N 1 3 312.458 0.430 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)c1 ZINC001495593206 1018589138 /nfs/dbraw/zinc/58/91/38/1018589138.db2.gz RZBQBTUJXOEBKB-OAHLLOKOSA-N 1 3 318.421 0.428 20 0 DCADHO C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)CN(C)CC(C)(C)C ZINC001498117891 1018667202 /nfs/dbraw/zinc/66/72/02/1018667202.db2.gz JOWADANRUAYDFP-ZDUSSCGKSA-N 1 3 309.458 0.992 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CCCC1 ZINC001480596935 1018693396 /nfs/dbraw/zinc/69/33/96/1018693396.db2.gz NBSABVDJPNHSLO-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001480602055 1018697866 /nfs/dbraw/zinc/69/78/66/1018697866.db2.gz JCVDJVZQHVVSKH-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498160438 1018700738 /nfs/dbraw/zinc/70/07/38/1018700738.db2.gz PQDLVDPNGXVCHZ-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498160438 1018700744 /nfs/dbraw/zinc/70/07/44/1018700744.db2.gz PQDLVDPNGXVCHZ-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCCC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001480667039 1018760320 /nfs/dbraw/zinc/76/03/20/1018760320.db2.gz ZHWMIQWQIAJMEC-OCCSQVGLSA-N 1 3 321.425 0.434 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC001480679147 1018769600 /nfs/dbraw/zinc/76/96/00/1018769600.db2.gz HDBWCXGKHFHCDZ-CVEARBPZSA-N 1 3 309.454 0.947 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001498525596 1019193051 /nfs/dbraw/zinc/19/30/51/1019193051.db2.gz CMUJMBKWRMHNBM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001496305865 1019231030 /nfs/dbraw/zinc/23/10/30/1019231030.db2.gz APXVCBXPLWOVRR-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001496305865 1019231038 /nfs/dbraw/zinc/23/10/38/1019231038.db2.gz APXVCBXPLWOVRR-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496308187 1019234987 /nfs/dbraw/zinc/23/49/87/1019234987.db2.gz LTVJLATXLIVDRC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496308187 1019234991 /nfs/dbraw/zinc/23/49/91/1019234991.db2.gz LTVJLATXLIVDRC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@H](C)O ZINC001501496556 1019243378 /nfs/dbraw/zinc/24/33/78/1019243378.db2.gz FGCDOOSPQKPOMJ-LSDHHAIUSA-N 1 3 315.458 0.041 20 0 DCADHO CN(CCC[NH2+]CCO[C@@H]1CC1(F)F)C(=O)[C@H]1CCCN1C ZINC001498593345 1019253712 /nfs/dbraw/zinc/25/37/12/1019253712.db2.gz ZUJBJXHGBBMTHQ-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO Cn1ccnc1CNCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501647109 1019354580 /nfs/dbraw/zinc/35/45/80/1019354580.db2.gz BWMZFJVPSCWVCF-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501647109 1019354595 /nfs/dbraw/zinc/35/45/95/1019354595.db2.gz BWMZFJVPSCWVCF-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001498874396 1019492880 /nfs/dbraw/zinc/49/28/80/1019492880.db2.gz KSXTXPFZKAWWMP-LSDHHAIUSA-N 1 3 322.453 0.235 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001493545380 1019508887 /nfs/dbraw/zinc/50/88/87/1019508887.db2.gz IUWIIDXMYIYXTP-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001493545380 1019508901 /nfs/dbraw/zinc/50/89/01/1019508901.db2.gz IUWIIDXMYIYXTP-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493725779 1019662036 /nfs/dbraw/zinc/66/20/36/1019662036.db2.gz MYJNJSIRSZYTJU-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493725779 1019662047 /nfs/dbraw/zinc/66/20/47/1019662047.db2.gz MYJNJSIRSZYTJU-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001496990293 1019891748 /nfs/dbraw/zinc/89/17/48/1019891748.db2.gz HJLWMJDIWCHMQQ-LOWFTVKWSA-N 1 3 303.834 0.680 20 0 DCADHO CCNC(=O)CN(C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001494213499 1020077393 /nfs/dbraw/zinc/07/73/93/1020077393.db2.gz JGSGOUTXGOTFEP-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)CN(C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001494213499 1020077405 /nfs/dbraw/zinc/07/74/05/1020077405.db2.gz JGSGOUTXGOTFEP-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420064691 282134314 /nfs/dbraw/zinc/13/43/14/282134314.db2.gz UNTNHASWWAWDDY-OCCSQVGLSA-N 1 3 310.442 0.030 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCNCC2)CCCCC1 ZINC000331921091 234278234 /nfs/dbraw/zinc/27/82/34/234278234.db2.gz CFFPGKRFCLNHJK-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236891075 202056378 /nfs/dbraw/zinc/05/63/78/202056378.db2.gz QHSIPXJRCRPSTE-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000347688150 283337477 /nfs/dbraw/zinc/33/74/77/283337477.db2.gz RNVHTVIPBMQUNK-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000347688150 283337478 /nfs/dbraw/zinc/33/74/78/283337478.db2.gz RNVHTVIPBMQUNK-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCCN(CCN(C)C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000316746426 291254481 /nfs/dbraw/zinc/25/44/81/291254481.db2.gz YNRIRWHLZLOFFT-UHFFFAOYSA-N 1 3 308.430 0.616 20 0 DCADHO CCn1ccnc1CN(C(=O)CNC)[C@H]1CC12CC[NH2+]CC2 ZINC000566248385 291287557 /nfs/dbraw/zinc/28/75/57/291287557.db2.gz BIVWQQAOHNKXAC-ZDUSSCGKSA-N 1 3 305.426 0.593 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000566511702 291310732 /nfs/dbraw/zinc/31/07/32/291310732.db2.gz AMJZOZKVICAHIV-KKUMJFAQSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000420031008 240010583 /nfs/dbraw/zinc/01/05/83/240010583.db2.gz RCBRQCVDOZNWJP-LBPRGKRZSA-N 1 3 324.400 0.179 20 0 DCADHO COCCN1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420815835 240061735 /nfs/dbraw/zinc/06/17/35/240061735.db2.gz YBLUVIRXGACMQP-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420815835 240061739 /nfs/dbraw/zinc/06/17/39/240061739.db2.gz YBLUVIRXGACMQP-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO O=C(COC1CC[NH2+]CC1)NC[C@@H]1NCCc2ccccc21 ZINC000567047448 291334670 /nfs/dbraw/zinc/33/46/70/291334670.db2.gz BKIOAAWEPBADBW-INIZCTEOSA-N 1 3 303.406 0.758 20 0 DCADHO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000567864955 291385666 /nfs/dbraw/zinc/38/56/66/291385666.db2.gz HADAJFLPRDZWDR-UHFFFAOYSA-N 1 3 318.421 0.727 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000167404281 284572386 /nfs/dbraw/zinc/57/23/86/284572386.db2.gz GTUCGCKXCLVJSO-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO N[C@H]1C[C@@H]2CN(C(=O)CC3(C[NH3+])CCCCC3)CCN2C1=O ZINC000574652509 291708715 /nfs/dbraw/zinc/70/87/15/291708715.db2.gz QATWPFXEMGYZEF-OLZOCXBDSA-N 1 3 308.426 0.056 20 0 DCADHO CN(CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C1CC1 ZINC000339608118 253112294 /nfs/dbraw/zinc/11/22/94/253112294.db2.gz WFHYVLBDQCTRQW-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000339640242 253120346 /nfs/dbraw/zinc/12/03/46/253120346.db2.gz YDIKYFKBVVHIQK-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340485071 253264456 /nfs/dbraw/zinc/26/44/56/253264456.db2.gz QNKDISXTRAMEIH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340485071 253264459 /nfs/dbraw/zinc/26/44/59/253264459.db2.gz QNKDISXTRAMEIH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)C1CC1 ZINC000340505994 253268472 /nfs/dbraw/zinc/26/84/72/253268472.db2.gz CBADDZADVWLFEZ-STQMWFEESA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)C1CC1 ZINC000340505994 253268474 /nfs/dbraw/zinc/26/84/74/253268474.db2.gz CBADDZADVWLFEZ-STQMWFEESA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346125461 254013768 /nfs/dbraw/zinc/01/37/68/254013768.db2.gz ZJKGOZAVGBNTPF-VNHYZAJKSA-N 1 3 322.453 0.328 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346125461 254013770 /nfs/dbraw/zinc/01/37/70/254013770.db2.gz ZJKGOZAVGBNTPF-VNHYZAJKSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CN(C)C)NC(=O)CCCC(=O)N[C@H](C)C[NH+](C)C ZINC000346154522 254015918 /nfs/dbraw/zinc/01/59/18/254015918.db2.gz IQWMDGNIDWIHKC-CHWSQXEVSA-N 1 3 300.447 0.289 20 0 DCADHO Cc1n[nH]cc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346644700 254077440 /nfs/dbraw/zinc/07/74/40/254077440.db2.gz DSRHYDVPUTURRK-UKRRQHHQSA-N 1 3 305.426 0.798 20 0 DCADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(CCOC)C1)C(C)C ZINC000347029066 254123052 /nfs/dbraw/zinc/12/30/52/254123052.db2.gz JVXLMVRTTQXFTA-AWEZNQCLSA-N 1 3 300.447 0.737 20 0 DCADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(CCOC)C1)C(C)C ZINC000347029066 254123054 /nfs/dbraw/zinc/12/30/54/254123054.db2.gz JVXLMVRTTQXFTA-AWEZNQCLSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)c1ncc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000347091504 254128794 /nfs/dbraw/zinc/12/87/94/254128794.db2.gz FXQBVHQHGOQTIO-NSHDSACASA-N 1 3 311.455 0.496 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000349903230 254303073 /nfs/dbraw/zinc/30/30/73/254303073.db2.gz GAMHOWMYVLDJKW-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+]1CCN(CCCCNC(=O)[C@H]2CSCN2)CC1 ZINC000236875743 395899903 /nfs/dbraw/zinc/89/99/03/395899903.db2.gz MZXWWHXIJLXFBC-CYBMUJFWSA-N 1 3 300.472 0.183 20 0 DCADHO CN1CCC[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246791884 395957964 /nfs/dbraw/zinc/95/79/64/395957964.db2.gz QBBWNOWTPODGFP-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO O=S1(=O)CCCN1[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000261799686 396067134 /nfs/dbraw/zinc/06/71/34/396067134.db2.gz GTQRDCSKTOHNFA-AWEZNQCLSA-N 1 3 301.456 0.486 20 0 DCADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261803021 396068287 /nfs/dbraw/zinc/06/82/87/396068287.db2.gz UWPNHPVKFJIVLQ-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCC[NH2+]3)ccc2oc1=O ZINC000070810729 396105442 /nfs/dbraw/zinc/10/54/42/396105442.db2.gz IOHZKRGGEPETRV-LBPRGKRZSA-N 1 3 318.377 0.847 20 0 DCADHO O=C(CCN1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCNCC1 ZINC000262226807 396112634 /nfs/dbraw/zinc/11/26/34/396112634.db2.gz VAOZTZJRZCAMGU-INIZCTEOSA-N 1 3 308.470 0.616 20 0 DCADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262340754 396127041 /nfs/dbraw/zinc/12/70/41/396127041.db2.gz AGRRYOIBROVOSW-UKRRQHHQSA-N 1 3 323.462 0.799 20 0 DCADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262423398 396137868 /nfs/dbraw/zinc/13/78/68/396137868.db2.gz AXUYDBRUEMEXEQ-SJORKVTESA-N 1 3 317.433 0.798 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000263255967 396209109 /nfs/dbraw/zinc/20/91/09/396209109.db2.gz QTCMPGNMGGWCRC-ZFWWWQNUSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000263255967 396209112 /nfs/dbraw/zinc/20/91/12/396209112.db2.gz QTCMPGNMGGWCRC-ZFWWWQNUSA-N 1 3 312.458 0.419 20 0 DCADHO NCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262659063 396169007 /nfs/dbraw/zinc/16/90/07/396169007.db2.gz FJNSOSMMGVQXKX-UHFFFAOYSA-N 1 3 304.394 0.087 20 0 DCADHO Cc1ccc([C@H](N)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000262674994 396171730 /nfs/dbraw/zinc/17/17/30/396171730.db2.gz TZFJTKMQVCIXIR-WBVHZDCISA-N 1 3 318.465 0.995 20 0 DCADHO C[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262693903 396173293 /nfs/dbraw/zinc/17/32/93/396173293.db2.gz BSJSEITZWFSBSY-WCQYABFASA-N 1 3 304.394 0.670 20 0 DCADHO C[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262693903 396173295 /nfs/dbraw/zinc/17/32/95/396173295.db2.gz BSJSEITZWFSBSY-WCQYABFASA-N 1 3 304.394 0.670 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)[C@H]2C1 ZINC000262823941 396185748 /nfs/dbraw/zinc/18/57/48/396185748.db2.gz RKWDEGQWBOHMFI-FMKPAKJESA-N 1 3 317.437 0.974 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000077838468 396235361 /nfs/dbraw/zinc/23/53/61/396235361.db2.gz QUIWGAQEVDASMQ-CQSZACIVSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000077838468 396235363 /nfs/dbraw/zinc/23/53/63/396235363.db2.gz QUIWGAQEVDASMQ-CQSZACIVSA-N 1 3 324.469 0.759 20 0 DCADHO CC[C@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265719834 396339173 /nfs/dbraw/zinc/33/91/73/396339173.db2.gz YQWCCZQBXGQJKE-AGJGTZJVSA-N 1 3 310.442 0.233 20 0 DCADHO CC[C@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265719834 396339174 /nfs/dbraw/zinc/33/91/74/396339174.db2.gz YQWCCZQBXGQJKE-AGJGTZJVSA-N 1 3 310.442 0.233 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000515187035 396501479 /nfs/dbraw/zinc/50/14/79/396501479.db2.gz JRKMHNBKCGOOPF-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000580893048 396508641 /nfs/dbraw/zinc/50/86/41/396508641.db2.gz VVSWWJGDLBDHGQ-JTQLQIEISA-N 1 3 317.459 0.029 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H]1c1cccc(F)c1 ZINC000580892807 396508762 /nfs/dbraw/zinc/50/87/62/396508762.db2.gz QXYZAYSTSBKRHI-QLFBSQMISA-N 1 3 307.369 0.457 20 0 DCADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000580946189 396513093 /nfs/dbraw/zinc/51/30/93/396513093.db2.gz JYJTUZSCHHYKRR-BFHYXJOUSA-N 1 3 303.410 0.717 20 0 DCADHO C[C@@H]([NH3+])CCC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000193323728 396449053 /nfs/dbraw/zinc/44/90/53/396449053.db2.gz ARGVZIBVBTYMRC-CQSZACIVSA-N 1 3 307.442 0.933 20 0 DCADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000580946190 396513333 /nfs/dbraw/zinc/51/33/33/396513333.db2.gz JYJTUZSCHHYKRR-MCIONIFRSA-N 1 3 303.410 0.717 20 0 DCADHO CC[N@H+](CCCN1CCCC1)Cc1cn(C)c(=O)n(C)c1=O ZINC000289178250 396456132 /nfs/dbraw/zinc/45/61/32/396456132.db2.gz AGSURMQPSXSPDO-UHFFFAOYSA-N 1 3 308.426 0.392 20 0 DCADHO CC[N@@H+](CCCN1CCCC1)Cc1cn(C)c(=O)n(C)c1=O ZINC000289178250 396456133 /nfs/dbraw/zinc/45/61/33/396456133.db2.gz AGSURMQPSXSPDO-UHFFFAOYSA-N 1 3 308.426 0.392 20 0 DCADHO CN1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](CN)C1 ZINC000581121244 396527319 /nfs/dbraw/zinc/52/73/19/396527319.db2.gz PUWNKUUYYGRLIC-ZIAGYGMSSA-N 1 3 313.490 0.637 20 0 DCADHO N[C@@H](CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581249745 396537446 /nfs/dbraw/zinc/53/74/46/396537446.db2.gz GIGKYFAJGABGCO-GJZGRUSLSA-N 1 3 318.421 0.390 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCCN1CCCCC1 ZINC000581308955 396543045 /nfs/dbraw/zinc/54/30/45/396543045.db2.gz OZEJBIVLFCVLEW-ZNMIVQPWSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@H]1c1cccs1 ZINC000372891299 396551747 /nfs/dbraw/zinc/55/17/47/396551747.db2.gz MPYWOYRDRMYVRI-COMQUAJESA-N 1 3 323.462 0.970 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000372916168 396554068 /nfs/dbraw/zinc/55/40/68/396554068.db2.gz GLKWTLYDOKHHNT-DMRZNYOFSA-N 1 3 303.406 0.488 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000595138479 396555232 /nfs/dbraw/zinc/55/52/32/396555232.db2.gz DKHQTLOPGKBWLH-OAHLLOKOSA-N 1 3 306.458 0.542 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1=O ZINC000595895067 396677443 /nfs/dbraw/zinc/67/74/43/396677443.db2.gz CJOGQNUUUPQSSC-KKUMJFAQSA-N 1 3 323.437 0.472 20 0 DCADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC(=O)NC1CC1 ZINC000595900791 396679755 /nfs/dbraw/zinc/67/97/55/396679755.db2.gz LJNASHLRYLFHLG-ZDUSSCGKSA-N 1 3 308.426 0.686 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000595903829 396680606 /nfs/dbraw/zinc/68/06/06/396680606.db2.gz YLZCPSALIUUYDW-UONOGXRCSA-N 1 3 311.426 0.518 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000562913265 396685104 /nfs/dbraw/zinc/68/51/04/396685104.db2.gz HWTXPXQYEFYBDT-YCPHGPKFSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@H+]1CCCC[C@H]1C ZINC000562913265 396685109 /nfs/dbraw/zinc/68/51/09/396685109.db2.gz HWTXPXQYEFYBDT-YCPHGPKFSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C)C/C=C/C(=O)NC(C)(C)CCNC(=O)/C=C/C[NH+](C)C ZINC000295492457 396698018 /nfs/dbraw/zinc/69/80/18/396698018.db2.gz FRBZMRWDARQYOP-FIFLTTCUSA-N 1 3 324.469 0.623 20 0 DCADHO CN(C)C/C=C/C(=O)NCCC(C)(C)NC(=O)/C=C/C[NH+](C)C ZINC000295492457 396698020 /nfs/dbraw/zinc/69/80/20/396698020.db2.gz FRBZMRWDARQYOP-FIFLTTCUSA-N 1 3 324.469 0.623 20 0 DCADHO COCC1(C(=O)NCc2ccc3c(c2)CNC3)CC[NH2+]CC1 ZINC000375645205 396787658 /nfs/dbraw/zinc/78/76/58/396787658.db2.gz QHTLFXVFIDFVAZ-UHFFFAOYSA-N 1 3 303.406 0.922 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC000563952723 396797868 /nfs/dbraw/zinc/79/78/68/396797868.db2.gz QYDKMDWBRSEYAH-GJZGRUSLSA-N 1 3 300.443 0.864 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC000563952723 396797875 /nfs/dbraw/zinc/79/78/75/396797875.db2.gz QYDKMDWBRSEYAH-GJZGRUSLSA-N 1 3 300.443 0.864 20 0 DCADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000563952723 396797880 /nfs/dbraw/zinc/79/78/80/396797880.db2.gz QYDKMDWBRSEYAH-GJZGRUSLSA-N 1 3 300.443 0.864 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000629524875 396776343 /nfs/dbraw/zinc/77/63/43/396776343.db2.gz VFXGUPBKZROZPN-RDBSUJKOSA-N 1 3 315.425 0.681 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)N1CCN(C)CC1 ZINC000629965305 396899025 /nfs/dbraw/zinc/89/90/25/396899025.db2.gz SOLCJDARKYNOIJ-INIZCTEOSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)N1CCN(C)CC1 ZINC000629965305 396899029 /nfs/dbraw/zinc/89/90/29/396899029.db2.gz SOLCJDARKYNOIJ-INIZCTEOSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)N1CCN(C)CC1 ZINC000629965305 396899032 /nfs/dbraw/zinc/89/90/32/396899032.db2.gz SOLCJDARKYNOIJ-INIZCTEOSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N(C)C1CC1 ZINC000333436096 396924845 /nfs/dbraw/zinc/92/48/45/396924845.db2.gz VIMQJDBFLHAAOY-UKRRQHHQSA-N 1 3 309.458 0.158 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000611942759 396952489 /nfs/dbraw/zinc/95/24/89/396952489.db2.gz ZWYPQTBFIKPXQC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000611942759 396952491 /nfs/dbraw/zinc/95/24/91/396952491.db2.gz ZWYPQTBFIKPXQC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305803 396953524 /nfs/dbraw/zinc/95/35/24/396953524.db2.gz HQTGVHQPDAYQBJ-OKILXGFUSA-N 1 3 312.458 0.338 20 0 DCADHO CO[C@H]1CN(C(=O)c2cccc3c2CCNC3)[C@@](C)(C[NH3+])C1 ZINC000630374893 397001435 /nfs/dbraw/zinc/00/14/35/397001435.db2.gz KLFBSEFWTHWTHT-CXAGYDPISA-N 1 3 303.406 0.911 20 0 DCADHO C[C@@H]1CN(CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])CCO1 ZINC000572001307 397010566 /nfs/dbraw/zinc/01/05/66/397010566.db2.gz FVBPJQRQMQAUGY-HUUCEWRRSA-N 1 3 312.458 0.027 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000572749617 397090948 /nfs/dbraw/zinc/09/09/48/397090948.db2.gz ZFYVWYWYHJIROX-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000612547222 397091310 /nfs/dbraw/zinc/09/13/10/397091310.db2.gz AQKRKGQIODYKEJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1=CCCC1 ZINC000612578010 397098384 /nfs/dbraw/zinc/09/83/84/397098384.db2.gz RAIFZKHMQCVLLZ-UHFFFAOYSA-N 1 3 310.442 0.165 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000572361629 397050501 /nfs/dbraw/zinc/05/05/01/397050501.db2.gz VEVNKWIQRURVFB-DGCLKSJQSA-N 1 3 306.414 0.230 20 0 DCADHO Cc1ncc2n1CC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000573171483 397140921 /nfs/dbraw/zinc/14/09/21/397140921.db2.gz LQZXDCNJGSDWKA-HNNXBMFYSA-N 1 3 321.469 0.706 20 0 DCADHO COCCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377844804 397152492 /nfs/dbraw/zinc/15/24/92/397152492.db2.gz ZHXUUOBWFMUCPT-JKSUJKDBSA-N 1 3 309.454 0.849 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CCSC1 ZINC000612977870 397169435 /nfs/dbraw/zinc/16/94/35/397169435.db2.gz SSIPSDVZUQALDY-WFASDCNBSA-N 1 3 312.483 0.865 20 0 DCADHO CCCNC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492919 397192566 /nfs/dbraw/zinc/19/25/66/397192566.db2.gz HPHYEJBSTDVTTC-ZIAGYGMSSA-N 1 3 310.442 0.934 20 0 DCADHO CC(C)[NH+](CCCNC(=O)N1CCN(C)C[C@@H]1CN)C(C)C ZINC000573786485 397205206 /nfs/dbraw/zinc/20/52/06/397205206.db2.gz MUZBMWJLOHXWJS-HNNXBMFYSA-N 1 3 313.490 0.780 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000592560432 397216100 /nfs/dbraw/zinc/21/61/00/397216100.db2.gz QKWYHQXNJNETIJ-UHFFFAOYSA-N 1 3 313.442 0.895 20 0 DCADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000574451308 397268179 /nfs/dbraw/zinc/26/81/79/397268179.db2.gz FXDQKPWHUJASFI-WDEREUQCSA-N 1 3 307.402 0.060 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000592862510 397268578 /nfs/dbraw/zinc/26/85/78/397268578.db2.gz JSHMBGXAUWFMTA-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000592862510 397268582 /nfs/dbraw/zinc/26/85/82/397268582.db2.gz JSHMBGXAUWFMTA-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C12CCC[NH+]1CCC2 ZINC000365778474 397316805 /nfs/dbraw/zinc/31/68/05/397316805.db2.gz QJZHMECLXKXWAP-UHFFFAOYSA-N 1 3 308.470 0.711 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592957279 397302390 /nfs/dbraw/zinc/30/23/90/397302390.db2.gz MULULOBJNLHMKC-OLZOCXBDSA-N 1 3 305.426 0.791 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000577630623 397348494 /nfs/dbraw/zinc/34/84/94/397348494.db2.gz QTWVPFMMGTUUKJ-DOTOQJQBSA-N 1 3 302.422 0.971 20 0 DCADHO CCN(CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000577831486 397363116 /nfs/dbraw/zinc/36/31/16/397363116.db2.gz QQVGKQLFIFPXPM-OAHLLOKOSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000577868027 397368418 /nfs/dbraw/zinc/36/84/18/397368418.db2.gz ONXYZVOGYPCPOI-KKUMJFAQSA-N 1 3 324.469 0.419 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417868240 397374465 /nfs/dbraw/zinc/37/44/65/397374465.db2.gz GJZIUAGQUXXLOS-ZGKBOVNRSA-N 1 3 310.442 0.617 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419773053 397381957 /nfs/dbraw/zinc/38/19/57/397381957.db2.gz ILZNKUBFFMIWPY-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CCN(C2CCC2)C1 ZINC000577269759 397317938 /nfs/dbraw/zinc/31/79/38/397317938.db2.gz OZBNDTUBWALRIX-ZBFHGGJFSA-N 1 3 323.485 0.406 20 0 DCADHO CSCC[C@H](N)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000602602090 397446715 /nfs/dbraw/zinc/44/67/15/397446715.db2.gz NUQDRACODSRNDA-LBPRGKRZSA-N 1 3 309.439 0.510 20 0 DCADHO C[C@H](NC(=O)NCCOCCN(C)C)C(C)(C)C[NH+](C)C ZINC000471647039 397450270 /nfs/dbraw/zinc/45/02/70/397450270.db2.gz NWZXBRLPFOSPIX-ZDUSSCGKSA-N 1 3 302.463 0.840 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423654934 397397135 /nfs/dbraw/zinc/39/71/35/397397135.db2.gz BABVPZPHMHNXKY-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000578232499 397409620 /nfs/dbraw/zinc/40/96/20/397409620.db2.gz VEPFLPVNXCJVDD-BBRMVZONSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000578232499 397409627 /nfs/dbraw/zinc/40/96/27/397409627.db2.gz VEPFLPVNXCJVDD-BBRMVZONSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@H](O)C[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000578232499 397409636 /nfs/dbraw/zinc/40/96/36/397409636.db2.gz VEPFLPVNXCJVDD-BBRMVZONSA-N 1 3 305.422 0.854 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC000604605219 397645123 /nfs/dbraw/zinc/64/51/23/397645123.db2.gz YUBQMDBGCVHQKF-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000605880977 397673115 /nfs/dbraw/zinc/67/31/15/397673115.db2.gz KFWYNFQNWPCNGR-HUUCEWRRSA-N 1 3 310.442 0.491 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000605880977 397673117 /nfs/dbraw/zinc/67/31/17/397673117.db2.gz KFWYNFQNWPCNGR-HUUCEWRRSA-N 1 3 310.442 0.491 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CN)OC)[C@@H](C)C1 ZINC000353441680 286061425 /nfs/dbraw/zinc/06/14/25/286061425.db2.gz AWUHAVPGTXJESU-IHRRRGAJSA-N 1 3 301.431 0.213 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](CN)OC)[C@@H](C)C1 ZINC000353441680 286061427 /nfs/dbraw/zinc/06/14/27/286061427.db2.gz AWUHAVPGTXJESU-IHRRRGAJSA-N 1 3 301.431 0.213 20 0 DCADHO COCC1(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC[NH2+]CC1 ZINC000333832317 292239372 /nfs/dbraw/zinc/23/93/72/292239372.db2.gz MSMFYMGCIIQXJL-LSDHHAIUSA-N 1 3 324.469 0.738 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000134006946 158323084 /nfs/dbraw/zinc/32/30/84/158323084.db2.gz PBXYLDVLNXHKEM-UONOGXRCSA-N 1 3 314.499 0.224 20 0 DCADHO CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000187068838 287058193 /nfs/dbraw/zinc/05/81/93/287058193.db2.gz GXSLHHONTQOCRI-INIZCTEOSA-N 1 3 322.453 0.903 20 0 DCADHO CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000187068838 287058196 /nfs/dbraw/zinc/05/81/96/287058196.db2.gz GXSLHHONTQOCRI-INIZCTEOSA-N 1 3 322.453 0.903 20 0 DCADHO CCN(CCO)CCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000187096671 287058447 /nfs/dbraw/zinc/05/84/47/287058447.db2.gz RSEMIKAQNCLKNI-UHFFFAOYSA-N 1 3 314.474 0.722 20 0 DCADHO CC[N@H+](CCCC1CCN([C@H](C)C(N)=O)CC1)[C@H](C)C(N)=O ZINC000245747661 287073010 /nfs/dbraw/zinc/07/30/10/287073010.db2.gz NGRYVHAQAIJHNZ-CHWSQXEVSA-N 1 3 312.458 0.548 20 0 DCADHO CC[N@@H+](CCCC1CCN([C@H](C)C(N)=O)CC1)[C@H](C)C(N)=O ZINC000245747661 287073012 /nfs/dbraw/zinc/07/30/12/287073012.db2.gz NGRYVHAQAIJHNZ-CHWSQXEVSA-N 1 3 312.458 0.548 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000342088796 287152260 /nfs/dbraw/zinc/15/22/60/287152260.db2.gz ANGOZWWIUXLCBM-VGWMRTNUSA-N 1 3 308.470 0.598 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332626032 287218615 /nfs/dbraw/zinc/21/86/15/287218615.db2.gz OPEKVBBJWKTENL-HUUCEWRRSA-N 1 3 322.453 0.269 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418185150 287241964 /nfs/dbraw/zinc/24/19/64/287241964.db2.gz APOLMIISPFIUJB-ZDUSSCGKSA-N 1 3 323.441 0.677 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCNCCOC)C1 ZINC000418510809 287248832 /nfs/dbraw/zinc/24/88/32/287248832.db2.gz QKBOZRITZCYFJQ-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCNCCOC)C1 ZINC000418510809 287248833 /nfs/dbraw/zinc/24/88/33/287248833.db2.gz QKBOZRITZCYFJQ-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418954850 287257313 /nfs/dbraw/zinc/25/73/13/287257313.db2.gz XQJYCDNTHACULR-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000418957515 287258222 /nfs/dbraw/zinc/25/82/22/287258222.db2.gz ZZSYFRKQCKVZGK-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419149578 287269654 /nfs/dbraw/zinc/26/96/54/287269654.db2.gz FESZGKYBIQIMGT-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419227770 287276110 /nfs/dbraw/zinc/27/61/10/287276110.db2.gz KXUOGPCBGZXCEC-GJZGRUSLSA-N 1 3 322.453 0.174 20 0 DCADHO NC(=O)c1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000420308599 287288769 /nfs/dbraw/zinc/28/87/69/287288769.db2.gz CVSXQQZHWPBYHP-CQSZACIVSA-N 1 3 317.437 0.692 20 0 DCADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H](C)CN1 ZINC000331595734 415146972 /nfs/dbraw/zinc/14/69/72/415146972.db2.gz ZAKFOLPGDWHPJF-RBSFLKMASA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H](C)CN1 ZINC000331595734 415146985 /nfs/dbraw/zinc/14/69/85/415146985.db2.gz ZAKFOLPGDWHPJF-RBSFLKMASA-N 1 3 312.458 0.879 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000342708644 415265306 /nfs/dbraw/zinc/26/53/06/415265306.db2.gz NMDAMJBXXXITFO-UONOGXRCSA-N 1 3 311.426 0.601 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000342711750 415266548 /nfs/dbraw/zinc/26/65/48/415266548.db2.gz QYCGAWSUFXSPPI-AWEZNQCLSA-N 1 3 311.426 0.790 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000342763940 415287220 /nfs/dbraw/zinc/28/72/20/415287220.db2.gz FJAUHBARXIIHBD-KGLIPLIRSA-N 1 3 311.426 0.744 20 0 DCADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCC[C@H]1C(N)=O ZINC000422891902 287301915 /nfs/dbraw/zinc/30/19/15/287301915.db2.gz WSCINQRYZDQQIL-UAGQMJEPSA-N 1 3 318.465 0.874 20 0 DCADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000422891902 287301917 /nfs/dbraw/zinc/30/19/17/287301917.db2.gz WSCINQRYZDQQIL-UAGQMJEPSA-N 1 3 318.465 0.874 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000332283686 415327948 /nfs/dbraw/zinc/32/79/48/415327948.db2.gz LSBGVRPTQVMHOL-HOTGVXAUSA-N 1 3 324.469 0.868 20 0 DCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332585854 415416131 /nfs/dbraw/zinc/41/61/31/415416131.db2.gz HQTREXCFPRDZQU-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000332585854 415416138 /nfs/dbraw/zinc/41/61/38/415416138.db2.gz HQTREXCFPRDZQU-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N(C)C1CC1 ZINC000073215245 415420280 /nfs/dbraw/zinc/42/02/80/415420280.db2.gz KYUVZRQXOPKGHK-ZDUSSCGKSA-N 1 3 312.458 0.879 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000332596188 415423851 /nfs/dbraw/zinc/42/38/51/415423851.db2.gz HPPSUKYVWGBQEC-KGLIPLIRSA-N 1 3 308.426 0.021 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@H+](C)CC)CC1 ZINC000073897080 415424346 /nfs/dbraw/zinc/42/43/46/415424346.db2.gz GKDCDLLSAFLGFO-OAHLLOKOSA-N 1 3 313.490 0.511 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@@H+](C)CC)CC1 ZINC000073897080 415424349 /nfs/dbraw/zinc/42/43/49/415424349.db2.gz GKDCDLLSAFLGFO-OAHLLOKOSA-N 1 3 313.490 0.511 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)CN1CCN(C)CC1 ZINC000343246664 415516287 /nfs/dbraw/zinc/51/62/87/415516287.db2.gz DYFNGGDTJAGXBO-BRSBDYLESA-N 1 3 324.513 0.617 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343291908 415538092 /nfs/dbraw/zinc/53/80/92/415538092.db2.gz DAWAWLBBNLAUDI-PMPSAXMXSA-N 1 3 308.470 0.565 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343316338 415552125 /nfs/dbraw/zinc/55/21/25/415552125.db2.gz ZKUYGEBQFFGBSI-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343316338 415552132 /nfs/dbraw/zinc/55/21/32/415552132.db2.gz ZKUYGEBQFFGBSI-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CCCC[C@H]2C[NH3+])CCSC1 ZINC000333398627 415635760 /nfs/dbraw/zinc/63/57/60/415635760.db2.gz PRBPSJPKIFRILU-GXTWGEPZSA-N 1 3 300.472 0.947 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333524297 415673518 /nfs/dbraw/zinc/67/35/18/415673518.db2.gz HAFRFKGAIYLXJR-AWEZNQCLSA-N 1 3 310.442 0.491 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333524297 415673523 /nfs/dbraw/zinc/67/35/23/415673523.db2.gz HAFRFKGAIYLXJR-AWEZNQCLSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H]1C[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CN1C1CC1 ZINC000333610088 415694978 /nfs/dbraw/zinc/69/49/78/415694978.db2.gz RVIXMXYUWUSMOO-AAEUAGOBSA-N 1 3 304.442 0.987 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCCCN1S(C)(=O)=O ZINC000353954151 415702262 /nfs/dbraw/zinc/70/22/62/415702262.db2.gz IXMSJDOCNIJFEW-MGPQQGTHSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCCCN1S(C)(=O)=O ZINC000353954151 415702269 /nfs/dbraw/zinc/70/22/69/415702269.db2.gz IXMSJDOCNIJFEW-MGPQQGTHSA-N 1 3 303.472 0.730 20 0 DCADHO CO[C@H](CN)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000290069309 415757036 /nfs/dbraw/zinc/75/70/36/415757036.db2.gz IEZUCYFTIYRJAN-OAHLLOKOSA-N 1 3 309.410 0.607 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)OC ZINC000125589953 415867491 /nfs/dbraw/zinc/86/74/91/415867491.db2.gz LXOIEEAKDSSAOQ-CYBMUJFWSA-N 1 3 314.430 0.217 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)OC ZINC000125589953 415867494 /nfs/dbraw/zinc/86/74/94/415867494.db2.gz LXOIEEAKDSSAOQ-CYBMUJFWSA-N 1 3 314.430 0.217 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000126728859 415879613 /nfs/dbraw/zinc/87/96/13/415879613.db2.gz VDOILXYFKOAAFH-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000126728859 415879616 /nfs/dbraw/zinc/87/96/16/415879616.db2.gz VDOILXYFKOAAFH-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000296377281 415924316 /nfs/dbraw/zinc/92/43/16/415924316.db2.gz KFFBPZLBBNDZQN-FZMZJTMJSA-N 1 3 321.377 0.508 20 0 DCADHO C[C@H]1COCCN1CCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000337187221 415924706 /nfs/dbraw/zinc/92/47/06/415924706.db2.gz PWGIZYZJVDUEHJ-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H]1COCCN1CCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000337187221 415924711 /nfs/dbraw/zinc/92/47/11/415924711.db2.gz PWGIZYZJVDUEHJ-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H]1COCCN1CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337187221 415924715 /nfs/dbraw/zinc/92/47/15/415924715.db2.gz PWGIZYZJVDUEHJ-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000296377284 415925313 /nfs/dbraw/zinc/92/53/13/415925313.db2.gz KFFBPZLBBNDZQN-RISCZKNCSA-N 1 3 321.377 0.508 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000344176896 415859936 /nfs/dbraw/zinc/85/99/36/415859936.db2.gz JDBQUUNZYHBWND-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000344176896 415859942 /nfs/dbraw/zinc/85/99/42/415859942.db2.gz JDBQUUNZYHBWND-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO COC[C@@]1(CNC(=O)[C@@H](CN)c2ccc(F)cc2)CCC[NH2+]1 ZINC000357288083 416056825 /nfs/dbraw/zinc/05/68/25/416056825.db2.gz NPPXKQXWXLPXDR-HOCLYGCPSA-N 1 3 309.385 0.753 20 0 DCADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000345216813 416062613 /nfs/dbraw/zinc/06/26/13/416062613.db2.gz HJBIDCNTVFAJHA-ZDUSSCGKSA-N 1 3 308.430 1.003 20 0 DCADHO CCCC[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338027409 416034962 /nfs/dbraw/zinc/03/49/62/416034962.db2.gz BXUPYYMRVZAAER-QWRGUYRKSA-N 1 3 310.364 0.456 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178875099 416176243 /nfs/dbraw/zinc/17/62/43/416176243.db2.gz QZLXFVBLZNLHEF-OAHLLOKOSA-N 1 3 300.422 0.222 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000346265387 416191629 /nfs/dbraw/zinc/19/16/29/416191629.db2.gz ANBOPYFFNYEGAQ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCN1C ZINC000348020132 416229165 /nfs/dbraw/zinc/22/91/65/416229165.db2.gz CPSJOOUVFGZQSK-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000341947464 416255935 /nfs/dbraw/zinc/25/59/35/416255935.db2.gz NFPBIAHSPKIKOP-CZUORRHYSA-N 1 3 324.469 0.473 20 0 DCADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N1CCN(C)CC1 ZINC000350259005 416266643 /nfs/dbraw/zinc/26/66/43/416266643.db2.gz XSDSKVNMLWSLRC-LSDHHAIUSA-N 1 3 313.490 0.508 20 0 DCADHO CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH+](C)C)N1CCN(C)CC1 ZINC000350259002 416266894 /nfs/dbraw/zinc/26/68/94/416266894.db2.gz XSDSKVNMLWSLRC-HUUCEWRRSA-N 1 3 313.490 0.508 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000358728293 416275148 /nfs/dbraw/zinc/27/51/48/416275148.db2.gz YDASKQZQLSNSNE-DOTOQJQBSA-N 1 3 324.469 0.617 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000358728293 416275150 /nfs/dbraw/zinc/27/51/50/416275150.db2.gz YDASKQZQLSNSNE-DOTOQJQBSA-N 1 3 324.469 0.617 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCN1CCCC1)[N@H+](C)C1CC1 ZINC000342109229 416283690 /nfs/dbraw/zinc/28/36/90/416283690.db2.gz VTDBFPBGOXSRBQ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCN1CCCC1)[N@@H+](C)C1CC1 ZINC000342109229 416283693 /nfs/dbraw/zinc/28/36/93/416283693.db2.gz VTDBFPBGOXSRBQ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO COCCCN(C)CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262861482 416337064 /nfs/dbraw/zinc/33/70/64/416337064.db2.gz WKZAZKLSTFHQRR-CQSZACIVSA-N 1 3 323.441 0.506 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415753010 416353479 /nfs/dbraw/zinc/35/34/79/416353479.db2.gz FRXOXYFVKCEGPN-CYBMUJFWSA-N 1 3 308.430 0.956 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419976620 416416414 /nfs/dbraw/zinc/41/64/14/416416414.db2.gz LRSLGELSGWYWAR-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417785505 416384228 /nfs/dbraw/zinc/38/42/28/416384228.db2.gz DDOSIPFTEXTXOE-HUUCEWRRSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417785505 416384229 /nfs/dbraw/zinc/38/42/29/416384229.db2.gz DDOSIPFTEXTXOE-HUUCEWRRSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N(CC[NH3+])CCO)CCN1Cc1ccccc1 ZINC000418197521 416385631 /nfs/dbraw/zinc/38/56/31/416385631.db2.gz SZHGMCWLUVOBGL-HOCLYGCPSA-N 1 3 320.437 0.612 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N(CC[NH3+])CCO)CCN1Cc1ccccc1 ZINC000418197519 416385639 /nfs/dbraw/zinc/38/56/39/416385639.db2.gz SZHGMCWLUVOBGL-GDBMZVCRSA-N 1 3 320.437 0.612 20 0 DCADHO CSC1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CCN(C)CC1 ZINC000418203912 416385914 /nfs/dbraw/zinc/38/59/14/416385914.db2.gz WQLCKRFHNHIFMF-GFCCVEGCSA-N 1 3 300.472 0.850 20 0 DCADHO [NH3+][C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000418492405 416387508 /nfs/dbraw/zinc/38/75/08/416387508.db2.gz VCCWKWOJKIYWDK-HNNXBMFYSA-N 1 3 310.442 0.478 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000419414587 416400946 /nfs/dbraw/zinc/40/09/46/416400946.db2.gz TVPXCIFMGAEWDH-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419500790 416402637 /nfs/dbraw/zinc/40/26/37/416402637.db2.gz AEDBHYVEEBQSHH-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419525639 416403259 /nfs/dbraw/zinc/40/32/59/416403259.db2.gz RWQWWMYWZCDSPR-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419759735 416408820 /nfs/dbraw/zinc/40/88/20/416408820.db2.gz HHQICSZETQGJSB-MRXNPFEDSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419806994 416413372 /nfs/dbraw/zinc/41/33/72/416413372.db2.gz FSZBYUWDBSCSBJ-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000583430136 416461923 /nfs/dbraw/zinc/46/19/23/416461923.db2.gz PXNPBLXCHSVLNW-SOUVJXGZSA-N 1 3 310.442 0.348 20 0 DCADHO C[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000458421594 416464349 /nfs/dbraw/zinc/46/43/49/416464349.db2.gz BHTPERIJLWSGRN-AWEZNQCLSA-N 1 3 313.490 0.509 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)C1 ZINC000458445700 416469168 /nfs/dbraw/zinc/46/91/68/416469168.db2.gz VLOOCNNBMSAXGT-GJZGRUSLSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)C1 ZINC000458445700 416469173 /nfs/dbraw/zinc/46/91/73/416469173.db2.gz VLOOCNNBMSAXGT-GJZGRUSLSA-N 1 3 324.469 0.833 20 0 DCADHO CCOC(=O)C1([C@H](C)NCc2ccnc(OC)n2)CC[NH2+]CC1 ZINC000423150011 416469333 /nfs/dbraw/zinc/46/93/33/416469333.db2.gz YKDXOBRWMWDZCQ-LBPRGKRZSA-N 1 3 322.409 0.896 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423201554 416477359 /nfs/dbraw/zinc/47/73/59/416477359.db2.gz IWFKTYREWINLHU-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423201554 416477363 /nfs/dbraw/zinc/47/73/63/416477363.db2.gz IWFKTYREWINLHU-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000423214320 416478797 /nfs/dbraw/zinc/47/87/97/416478797.db2.gz LFFNLLKZBXJZQM-AWEZNQCLSA-N 1 3 322.453 0.413 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423245191 416481157 /nfs/dbraw/zinc/48/11/57/416481157.db2.gz YHLNHHKRPPNAPR-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000361718227 416482703 /nfs/dbraw/zinc/48/27/03/416482703.db2.gz LZWLUDURAGWXNJ-DZGCQCFKSA-N 1 3 301.406 0.647 20 0 DCADHO CC1=CCN(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458651637 416488524 /nfs/dbraw/zinc/48/85/24/416488524.db2.gz JAUZLLMDDCZKEC-INIZCTEOSA-N 1 3 324.469 0.784 20 0 DCADHO CC1=CCN(CCNC(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000458651637 416488527 /nfs/dbraw/zinc/48/85/27/416488527.db2.gz JAUZLLMDDCZKEC-INIZCTEOSA-N 1 3 324.469 0.784 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000423319580 416489305 /nfs/dbraw/zinc/48/93/05/416489305.db2.gz COSIJPSVIKGMNV-PBHICJAKSA-N 1 3 303.406 0.995 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422324522 416426243 /nfs/dbraw/zinc/42/62/43/416426243.db2.gz WVKBKZNGBCZFMD-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422419865 416429881 /nfs/dbraw/zinc/42/98/81/416429881.db2.gz AHUSFHWFLCBGPF-BPLDGKMQSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422419865 416429882 /nfs/dbraw/zinc/42/98/82/416429882.db2.gz AHUSFHWFLCBGPF-BPLDGKMQSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000361355754 416431130 /nfs/dbraw/zinc/43/11/30/416431130.db2.gz IRBCSZRYWJHGPI-HOCLYGCPSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)N1CCC(N(C)C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000582183266 416447173 /nfs/dbraw/zinc/44/71/73/416447173.db2.gz GTBGHZLIGPCVFS-UHFFFAOYSA-N 1 3 308.430 0.572 20 0 DCADHO CC(CN1CC[C@](C)(C(N)=O)C1)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361561503 416448470 /nfs/dbraw/zinc/44/84/70/416448470.db2.gz FQNAYXXAPTUWJR-HOTGVXAUSA-N 1 3 310.442 0.017 20 0 DCADHO CC(CN1CC[C@](C)(C(N)=O)C1)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361561503 416448474 /nfs/dbraw/zinc/44/84/74/416448474.db2.gz FQNAYXXAPTUWJR-HOTGVXAUSA-N 1 3 310.442 0.017 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422975896 416456132 /nfs/dbraw/zinc/45/61/32/416456132.db2.gz UGYAWGOCPRDABM-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423618701 416529208 /nfs/dbraw/zinc/52/92/08/416529208.db2.gz HPHBZHVKRUYFAY-KBPBESRZSA-N 1 3 310.442 0.269 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H](N)CC ZINC000423735183 416552823 /nfs/dbraw/zinc/55/28/23/416552823.db2.gz AIXAQLDKOXCHJO-KGLIPLIRSA-N 1 3 313.442 0.990 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H](N)CC ZINC000423735183 416552827 /nfs/dbraw/zinc/55/28/27/416552827.db2.gz AIXAQLDKOXCHJO-KGLIPLIRSA-N 1 3 313.442 0.990 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423366316 416496214 /nfs/dbraw/zinc/49/62/14/416496214.db2.gz CKNZSTBTEVBTQW-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423364647 416496721 /nfs/dbraw/zinc/49/67/21/416496721.db2.gz OWPOOGWIQNWGSG-MCIONIFRSA-N 1 3 322.457 0.723 20 0 DCADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnccc1N ZINC000423400855 416502898 /nfs/dbraw/zinc/50/28/98/416502898.db2.gz VHPWYIKOCPTZOR-ZWNOBZJWSA-N 1 3 317.359 0.981 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423419430 416507074 /nfs/dbraw/zinc/50/70/74/416507074.db2.gz WCUVUEUHZMMUSH-CQSZACIVSA-N 1 3 312.458 0.374 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)nn1 ZINC000423416461 416507797 /nfs/dbraw/zinc/50/77/97/416507797.db2.gz QOZBKTMTDYJOTI-CQSZACIVSA-N 1 3 320.441 0.621 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423516202 416519832 /nfs/dbraw/zinc/51/98/32/416519832.db2.gz GJOPVIHSYWAYTK-CFVMTHIKSA-N 1 3 322.453 0.125 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423764452 416563218 /nfs/dbraw/zinc/56/32/18/416563218.db2.gz XNLCYMQLLHWGMN-NVXWUHKLSA-N 1 3 310.486 0.990 20 0 DCADHO NC(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C(F)(F)F ZINC000424003907 416604176 /nfs/dbraw/zinc/60/41/76/416604176.db2.gz AEDMPLHZMHIZEC-HBNTYKKESA-N 1 3 305.275 0.968 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424041261 416608249 /nfs/dbraw/zinc/60/82/49/416608249.db2.gz HPKUMQMYQHJUMJ-UIYDWDDBSA-N 1 3 323.437 0.537 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC2(C[NH+](C)C)CCC2)n1 ZINC000439421096 416611693 /nfs/dbraw/zinc/61/16/93/416611693.db2.gz ISKRCUUWSJXYLG-UHFFFAOYSA-N 1 3 308.430 1.051 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C[C@H]2N)cn1 ZINC000424222574 416629670 /nfs/dbraw/zinc/62/96/70/416629670.db2.gz FJAHLIIDVSLEQI-TTZDDIAXSA-N 1 3 305.426 0.581 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000609291426 416652991 /nfs/dbraw/zinc/65/29/91/416652991.db2.gz UHUGFNBZIKUUNM-CVEARBPZSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC000609291426 416652994 /nfs/dbraw/zinc/65/29/94/416652994.db2.gz UHUGFNBZIKUUNM-CVEARBPZSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[NH+]1CCC(C)CC1 ZINC000545177906 416664035 /nfs/dbraw/zinc/66/40/35/416664035.db2.gz LWTRIXBWJJHXLZ-ZBFHGGJFSA-N 1 3 312.458 0.473 20 0 DCADHO Cn1c2cc(CN3CC[C@H](N4CC[NH2+]CC4)C3)ccc2oc1=O ZINC000631827021 416753363 /nfs/dbraw/zinc/75/33/63/416753363.db2.gz CTRAKUIBUSLNDL-AWEZNQCLSA-N 1 3 316.405 0.611 20 0 DCADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443064316 416729845 /nfs/dbraw/zinc/72/98/45/416729845.db2.gz XXSKDNUWWDQQFM-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631846182 416760731 /nfs/dbraw/zinc/76/07/31/416760731.db2.gz WKNMFXLLKBMSAQ-HNNXBMFYSA-N 1 3 314.393 0.543 20 0 DCADHO CNC(=O)c1ccc(C[N@H+]2CC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000631846182 416760740 /nfs/dbraw/zinc/76/07/40/416760740.db2.gz WKNMFXLLKBMSAQ-HNNXBMFYSA-N 1 3 314.393 0.543 20 0 DCADHO CNC(=O)c1ccc(CN2CC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631846182 416760745 /nfs/dbraw/zinc/76/07/45/416760745.db2.gz WKNMFXLLKBMSAQ-HNNXBMFYSA-N 1 3 314.393 0.543 20 0 DCADHO C[C@@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]C1 ZINC000517031180 416773135 /nfs/dbraw/zinc/77/31/35/416773135.db2.gz JKPBVGSZFXTKIE-DZGCQCFKSA-N 1 3 306.414 0.290 20 0 DCADHO O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000631891267 416777584 /nfs/dbraw/zinc/77/75/84/416777584.db2.gz ZXEQGMFQSZEJLO-OAHLLOKOSA-N 1 3 315.483 0.972 20 0 DCADHO C[C@H](NS(=O)(=O)CCCN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000631902801 416785300 /nfs/dbraw/zinc/78/53/00/416785300.db2.gz RCXOOISIMKDECZ-KBPBESRZSA-N 1 3 303.472 0.780 20 0 DCADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCCN1C1CC1 ZINC000427048341 416794901 /nfs/dbraw/zinc/79/49/01/416794901.db2.gz DMTKDTYHHSOXLK-HOTGVXAUSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCCN1C1CC1 ZINC000427048341 416794909 /nfs/dbraw/zinc/79/49/09/416794909.db2.gz DMTKDTYHHSOXLK-HOTGVXAUSA-N 1 3 309.454 0.966 20 0 DCADHO CN(CCNS(=O)(=O)N(C)C1CC[NH2+]CC1)C1CCCC1 ZINC000631918021 416798595 /nfs/dbraw/zinc/79/85/95/416798595.db2.gz ROGLPJCICGWRER-UHFFFAOYSA-N 1 3 318.487 0.379 20 0 DCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CC[NH2+]3)c2)CC1 ZINC000444175601 416814590 /nfs/dbraw/zinc/81/45/90/416814590.db2.gz KSNVAQNFZRUWHI-OAHLLOKOSA-N 1 3 316.405 0.684 20 0 DCADHO N[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000517739381 416822334 /nfs/dbraw/zinc/82/23/34/416822334.db2.gz OLELMYFZRIVJBS-KBPBESRZSA-N 1 3 304.394 0.061 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000632013181 416866867 /nfs/dbraw/zinc/86/68/67/416866867.db2.gz GCTYUUZXRKQFOD-UHFFFAOYSA-N 1 3 321.487 0.047 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000632013181 416866873 /nfs/dbraw/zinc/86/68/73/416866873.db2.gz GCTYUUZXRKQFOD-UHFFFAOYSA-N 1 3 321.487 0.047 20 0 DCADHO C[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000641506416 416888277 /nfs/dbraw/zinc/88/82/77/416888277.db2.gz UEWBPXCVNCSPQF-CWRNSKLLSA-N 1 3 320.437 0.516 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000632057722 416890874 /nfs/dbraw/zinc/89/08/74/416890874.db2.gz NEHUEFMZEUUZHB-OAHLLOKOSA-N 1 3 317.499 0.932 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000632057722 416890881 /nfs/dbraw/zinc/89/08/81/416890881.db2.gz NEHUEFMZEUUZHB-OAHLLOKOSA-N 1 3 317.499 0.932 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623572114 416844845 /nfs/dbraw/zinc/84/48/45/416844845.db2.gz RKDXHXMFXXVZHE-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623572114 416844846 /nfs/dbraw/zinc/84/48/46/416844846.db2.gz RKDXHXMFXXVZHE-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000519538511 416910715 /nfs/dbraw/zinc/91/07/15/416910715.db2.gz JELFLLPGBUKSOW-IRXDYDNUSA-N 1 3 319.449 0.765 20 0 DCADHO C[C@H](C(=O)N1CCCC1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000520413012 416964505 /nfs/dbraw/zinc/96/45/05/416964505.db2.gz JDRPKHXOTSNMFD-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000447445106 417000630 /nfs/dbraw/zinc/00/06/30/417000630.db2.gz ZAZBAIAZZKGNHB-CYBMUJFWSA-N 1 3 301.431 0.356 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000642784426 417096205 /nfs/dbraw/zinc/09/62/05/417096205.db2.gz UXSMDBFPIILLRM-CHWSQXEVSA-N 1 3 320.437 0.695 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000389971337 417101073 /nfs/dbraw/zinc/10/10/73/417101073.db2.gz CEDJVJRKILGUFW-NVXWUHKLSA-N 1 3 316.449 0.528 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785758 417101304 /nfs/dbraw/zinc/10/13/04/417101304.db2.gz HTNKAQCYZGSMBE-HUUCEWRRSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642329797 417044470 /nfs/dbraw/zinc/04/44/70/417044470.db2.gz TVBPYFUHFIJHDI-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000642439902 417054748 /nfs/dbraw/zinc/05/47/48/417054748.db2.gz RCUXFWRIDVKZCH-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO [NH3+]C[C@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430669213 417058559 /nfs/dbraw/zinc/05/85/59/417058559.db2.gz SSCHCLNRBLNBDT-SECBINFHSA-N 1 3 310.320 0.435 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N(C)C1CC1 ZINC000568094311 417079305 /nfs/dbraw/zinc/07/93/05/417079305.db2.gz CXGCXIYTPNNLAX-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)C1CC[NH+](C)CC1 ZINC000642724469 417080851 /nfs/dbraw/zinc/08/08/51/417080851.db2.gz QHWYDGYKKHPKGQ-IUODEOHRSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000642732134 417085789 /nfs/dbraw/zinc/08/57/89/417085789.db2.gz CDMDVWRPOKJRIO-QPSCCSFWSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COCC[NH3+] ZINC000398119626 417108019 /nfs/dbraw/zinc/10/80/19/417108019.db2.gz GQOUBWRKBOWDHL-HOCLYGCPSA-N 1 3 305.422 0.989 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000637467727 417119639 /nfs/dbraw/zinc/11/96/39/417119639.db2.gz DDWSRZJWQRFARW-CABCVRRESA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000637467727 417119646 /nfs/dbraw/zinc/11/96/46/417119646.db2.gz DDWSRZJWQRFARW-CABCVRRESA-N 1 3 310.442 0.369 20 0 DCADHO CCN1CCN(CCC(=O)N2CCCC[C@@H]2C[NH+](C)C)CC1 ZINC000525177866 417127674 /nfs/dbraw/zinc/12/76/74/417127674.db2.gz QHFFJCXENVNLFG-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000568490440 417141192 /nfs/dbraw/zinc/14/11/92/417141192.db2.gz SAVMFUJHWXOIHO-HUUCEWRRSA-N 1 3 312.458 0.785 20 0 DCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000568490440 417141200 /nfs/dbraw/zinc/14/12/00/417141200.db2.gz SAVMFUJHWXOIHO-HUUCEWRRSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1CN(C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000624956070 417142903 /nfs/dbraw/zinc/14/29/03/417142903.db2.gz PJPPDHMCCPPIFX-OKILXGFUSA-N 1 3 300.447 0.641 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)CCN(C)CCOCCOC)C1 ZINC000637823562 417198283 /nfs/dbraw/zinc/19/82/83/417198283.db2.gz JLZOIJOXOGSPKJ-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000569204458 417222570 /nfs/dbraw/zinc/22/25/70/417222570.db2.gz RGAJRERNHJANJT-OAHLLOKOSA-N 1 3 309.458 0.160 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643482865 417222902 /nfs/dbraw/zinc/22/29/02/417222902.db2.gz LLCLQSPVOIBIBU-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000527953554 417288414 /nfs/dbraw/zinc/28/84/14/417288414.db2.gz XALGYYOONZQAAD-BFYDXBDKSA-N 1 3 311.470 0.532 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000527953554 417288419 /nfs/dbraw/zinc/28/84/19/417288419.db2.gz XALGYYOONZQAAD-BFYDXBDKSA-N 1 3 311.470 0.532 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627235236 417294030 /nfs/dbraw/zinc/29/40/30/417294030.db2.gz QOZVQDGHRODDJU-KGLIPLIRSA-N 1 3 321.429 0.048 20 0 DCADHO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414673925 417295366 /nfs/dbraw/zinc/29/53/66/417295366.db2.gz RKZKXJIKERGJTG-UONOGXRCSA-N 1 3 311.426 0.459 20 0 DCADHO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414673925 417295369 /nfs/dbraw/zinc/29/53/69/417295369.db2.gz RKZKXJIKERGJTG-UONOGXRCSA-N 1 3 311.426 0.459 20 0 DCADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)CC2 ZINC000643526153 417236732 /nfs/dbraw/zinc/23/67/32/417236732.db2.gz QZGIHKYYWSGAKW-LJISPDSOSA-N 1 3 322.453 0.266 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000643552777 417243738 /nfs/dbraw/zinc/24/37/38/417243738.db2.gz GVBJDCKFQGARNZ-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000569371677 417248410 /nfs/dbraw/zinc/24/84/10/417248410.db2.gz DABJYKAWVPQMNB-UHFFFAOYSA-N 1 3 324.469 0.374 20 0 DCADHO CC[N@H+](C)CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433334010 417250426 /nfs/dbraw/zinc/25/04/26/417250426.db2.gz JLLRYZYNVQXYKD-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@@H+](C)CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433334010 417250431 /nfs/dbraw/zinc/25/04/31/417250431.db2.gz JLLRYZYNVQXYKD-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433379762 417259533 /nfs/dbraw/zinc/25/95/33/417259533.db2.gz VXZNTDAJCUULGW-AWEZNQCLSA-N 1 3 318.425 0.559 20 0 DCADHO O=C(NC[C@H]1CCN(C2CC2)C1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433373516 417260218 /nfs/dbraw/zinc/26/02/18/417260218.db2.gz CRKYPXINGZXKQJ-OCCSQVGLSA-N 1 3 318.425 0.417 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000638139419 417351069 /nfs/dbraw/zinc/35/10/69/417351069.db2.gz DIVBDUSZFOJZGP-JKSUJKDBSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000638139419 417351077 /nfs/dbraw/zinc/35/10/77/417351077.db2.gz DIVBDUSZFOJZGP-JKSUJKDBSA-N 1 3 310.486 0.988 20 0 DCADHO CCN(CC)C(=O)CN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414685160 417297550 /nfs/dbraw/zinc/29/75/50/417297550.db2.gz YFQPIQIIJHCKPL-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)c1 ZINC000414888125 417311915 /nfs/dbraw/zinc/31/19/15/417311915.db2.gz XQZYXORHXHONML-OAHLLOKOSA-N 1 3 318.421 0.801 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414916910 417313586 /nfs/dbraw/zinc/31/35/86/417313586.db2.gz UKFOVUPJRGZEES-CQSZACIVSA-N 1 3 304.394 0.636 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621844054 417319978 /nfs/dbraw/zinc/31/99/78/417319978.db2.gz OJQGQNXFGMNOTE-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CN2CCNCC2)C1 ZINC000638083849 417320674 /nfs/dbraw/zinc/32/06/74/417320674.db2.gz OCFIGHZQNKIJOA-GASCZTMLSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CN2CCNCC2)C1 ZINC000638083849 417320683 /nfs/dbraw/zinc/32/06/83/417320683.db2.gz OCFIGHZQNKIJOA-GASCZTMLSA-N 1 3 310.486 0.764 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633027755 417326922 /nfs/dbraw/zinc/32/69/22/417326922.db2.gz OPRCFVGSCGPEDL-KBPBESRZSA-N 1 3 316.405 0.568 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)ccc1CN(C)C ZINC000633037961 417331004 /nfs/dbraw/zinc/33/10/04/417331004.db2.gz FGYCGBDNYAYWRE-TZMCWYRMSA-N 1 3 318.421 0.943 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000633040327 417333141 /nfs/dbraw/zinc/33/31/41/417333141.db2.gz HYEQHXPZQFVUIT-TZMCWYRMSA-N 1 3 318.421 0.943 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000415222063 417343620 /nfs/dbraw/zinc/34/36/20/417343620.db2.gz WJQHRSDCMLEXML-HNNXBMFYSA-N 1 3 308.430 0.956 20 0 DCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CN1CC[NH2+]CC1 ZINC000638230104 417384251 /nfs/dbraw/zinc/38/42/51/417384251.db2.gz AANSPKNTDCUVOH-UHFFFAOYSA-N 1 3 322.428 0.621 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000638275520 417401280 /nfs/dbraw/zinc/40/12/80/417401280.db2.gz YTCVRUTYYMTOOP-BZUAXINKSA-N 1 3 308.470 0.755 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000570986233 417413457 /nfs/dbraw/zinc/41/34/57/417413457.db2.gz RTEJWDNWAPTXCB-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638339480 417428837 /nfs/dbraw/zinc/42/88/37/417428837.db2.gz BFHKCGCMBMFVAQ-PVAVHDDUSA-N 1 3 318.465 0.889 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570570420 417369263 /nfs/dbraw/zinc/36/92/63/417369263.db2.gz PENHGDATZBFHSU-XDQVBPFNSA-N 1 3 312.458 0.465 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC000638209575 417375494 /nfs/dbraw/zinc/37/54/94/417375494.db2.gz YMGXCKGYPGGWCV-HNNXBMFYSA-N 1 3 304.438 0.704 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622032098 417378120 /nfs/dbraw/zinc/37/81/20/417378120.db2.gz ZDCBKRJYYAGULR-PBHICJAKSA-N 1 3 322.453 0.271 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000638375513 417436813 /nfs/dbraw/zinc/43/68/13/417436813.db2.gz ZJBUUQXGASQGJM-INIZCTEOSA-N 1 3 304.438 0.704 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000638378242 417439138 /nfs/dbraw/zinc/43/91/38/417439138.db2.gz ZKLSFCSVHQJWSW-AWEZNQCLSA-N 1 3 305.426 0.849 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000638442482 417458637 /nfs/dbraw/zinc/45/86/37/417458637.db2.gz VPKTZSMAUWHJEO-RYRKJORJSA-N 1 3 316.449 0.786 20 0 DCADHO CO[C@]1(C[NH2+]C2CCN(C3CCN(C)CC3)CC2)CCOC1 ZINC000638459724 417464701 /nfs/dbraw/zinc/46/47/01/417464701.db2.gz LQALCOFLCFCPIF-KRWDZBQOSA-N 1 3 311.470 0.940 20 0 DCADHO NC(=O)NC(=O)CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000575377323 417532366 /nfs/dbraw/zinc/53/23/66/417532366.db2.gz LISYMZHAPSIWIT-HNNXBMFYSA-N 1 3 318.421 0.726 20 0 DCADHO NC(=O)NC(=O)CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000575377323 417532371 /nfs/dbraw/zinc/53/23/71/417532371.db2.gz LISYMZHAPSIWIT-HNNXBMFYSA-N 1 3 318.421 0.726 20 0 DCADHO NC(=O)NC(=O)CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000575377323 417532376 /nfs/dbraw/zinc/53/23/76/417532376.db2.gz LISYMZHAPSIWIT-HNNXBMFYSA-N 1 3 318.421 0.726 20 0 DCADHO O[C@@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)CN1CCCC1 ZINC000634731219 417539936 /nfs/dbraw/zinc/53/99/36/417539936.db2.gz LJPAIYYDIFUGNN-NSHDSACASA-N 1 3 306.332 0.948 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)CC1 ZINC000644228766 417504343 /nfs/dbraw/zinc/50/43/43/417504343.db2.gz SHSNGIJKZJVZHX-XHSDSOJGSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453023465 417518925 /nfs/dbraw/zinc/51/89/25/417518925.db2.gz DDUNYGFUNGWAKN-IMJJTQAJSA-N 1 3 309.454 0.942 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926504 417587674 /nfs/dbraw/zinc/58/76/74/417587674.db2.gz HINNIYPCWVGZSN-XHSDSOJGSA-N 1 3 302.422 0.409 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)COC3(C)CNC3)cn2)CC1 ZINC000638978032 417593682 /nfs/dbraw/zinc/59/36/82/417593682.db2.gz RSKIHMKWOMAPHI-UHFFFAOYSA-N 1 3 307.398 0.467 20 0 DCADHO O=C(CC[C@H]1CC[NH2+]C1)Nc1cc(N2CCNCC2)ccn1 ZINC000638983795 417595363 /nfs/dbraw/zinc/59/53/63/417595363.db2.gz GDEOLGLQDVDFBQ-ZDUSSCGKSA-N 1 3 303.410 0.819 20 0 DCADHO CN1CCC[C@H]1C(=O)NC(C)(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000576467837 417611505 /nfs/dbraw/zinc/61/15/05/417611505.db2.gz VHHHBKNEPXNXKZ-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@H]1C(=O)NC(C)(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000576467837 417611511 /nfs/dbraw/zinc/61/15/11/417611511.db2.gz VHHHBKNEPXNXKZ-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CC[C@@H](NC[C@@H](O)CN1CCOCC1)C(C)(C)C ZINC000644569881 417621436 /nfs/dbraw/zinc/62/14/36/417621436.db2.gz KWGRBQWTGTXESD-HUUCEWRRSA-N 1 3 301.475 0.636 20 0 DCADHO C[C@H](Cn1cncn1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000639205905 417638083 /nfs/dbraw/zinc/63/80/83/417638083.db2.gz LNVVADJNJUIDAW-CQSZACIVSA-N 1 3 308.430 0.248 20 0 DCADHO CCCN(CC)CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000576937101 417648852 /nfs/dbraw/zinc/64/88/52/417648852.db2.gz WTBZKAFMMTVVCT-OWCLPIDISA-N 1 3 301.475 0.778 20 0 DCADHO CO[C@H](C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)C1CCOCC1 ZINC000639331515 417659708 /nfs/dbraw/zinc/65/97/08/417659708.db2.gz UHHLPUOBCPDXNE-IAGOWNOFSA-N 1 3 312.454 0.959 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCCC2)CC1=O ZINC000457040306 417679071 /nfs/dbraw/zinc/67/90/71/417679071.db2.gz FDMXOCSWBGSEBD-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000645286802 417725094 /nfs/dbraw/zinc/72/50/94/417725094.db2.gz VSNYXEINCUOSNY-UHFFFAOYSA-N 1 3 310.442 0.587 20 0 DCADHO CCCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645306071 417729461 /nfs/dbraw/zinc/72/94/61/417729461.db2.gz ITORNCISWVWOBD-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CCCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645306071 417729464 /nfs/dbraw/zinc/72/94/64/417729464.db2.gz ITORNCISWVWOBD-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458237119 417730203 /nfs/dbraw/zinc/73/02/03/417730203.db2.gz KWIHEZRVIZQEQL-CABCVRRESA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458237119 417730207 /nfs/dbraw/zinc/73/02/07/417730207.db2.gz KWIHEZRVIZQEQL-CABCVRRESA-N 1 3 314.474 0.863 20 0 DCADHO [NH3+]CCOCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000645477093 417746537 /nfs/dbraw/zinc/74/65/37/417746537.db2.gz GIWADUXDMPXIJR-UHFFFAOYSA-N 1 3 305.422 0.785 20 0 DCADHO O=C(CNC[C@H]1CCCO1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662595224 417815807 /nfs/dbraw/zinc/81/58/07/417815807.db2.gz YRYPWBPTBWSCOB-HZPDHXFCSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662602488 417816940 /nfs/dbraw/zinc/81/69/40/417816940.db2.gz QZPQRSSAVZWPPE-CVEARBPZSA-N 1 3 309.454 0.993 20 0 DCADHO COC[C@@H](CC1CCOCC1)NC[C@H](O)C[NH+]1CCCC1 ZINC000657845934 417908827 /nfs/dbraw/zinc/90/88/27/417908827.db2.gz MBBXQPSQFOTXIX-CVEARBPZSA-N 1 3 300.443 0.864 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000631464142 417885686 /nfs/dbraw/zinc/88/56/86/417885686.db2.gz FGXCWKVVGJGRGY-ZFWWWQNUSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000631464142 417885691 /nfs/dbraw/zinc/88/56/91/417885691.db2.gz FGXCWKVVGJGRGY-ZFWWWQNUSA-N 1 3 307.442 0.857 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662756416 417890874 /nfs/dbraw/zinc/89/08/74/417890874.db2.gz HPNUXOCIKJSSEB-CYBMUJFWSA-N 1 3 322.375 0.282 20 0 DCADHO CN(C)C[C@@H]1CCCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662788788 417905518 /nfs/dbraw/zinc/90/55/18/417905518.db2.gz OUWJPXAJKGMDAE-KGLIPLIRSA-N 1 3 320.441 0.759 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)CC1 ZINC000662788885 417906375 /nfs/dbraw/zinc/90/63/75/417906375.db2.gz WECCQNQVOQIDLJ-INIZCTEOSA-N 1 3 322.497 0.861 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C1 ZINC000646002901 417844917 /nfs/dbraw/zinc/84/49/17/417844917.db2.gz JBMVBNJWWNHAIG-YQQAZPJKSA-N 1 3 306.454 0.224 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)CC(F)F)CC2)C1 ZINC000646003068 417846131 /nfs/dbraw/zinc/84/61/31/417846131.db2.gz PSVMMIUSELMTIF-NWDGAFQWSA-N 1 3 304.385 0.207 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)CC(F)F)CC2)C1 ZINC000646003068 417846139 /nfs/dbraw/zinc/84/61/39/417846139.db2.gz PSVMMIUSELMTIF-NWDGAFQWSA-N 1 3 304.385 0.207 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000662857436 417929565 /nfs/dbraw/zinc/92/95/65/417929565.db2.gz AUCAGHZOUWGEGL-IAGOWNOFSA-N 1 3 317.433 0.869 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662909307 417947813 /nfs/dbraw/zinc/94/78/13/417947813.db2.gz CQZOMGTXZAJPRB-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662939890 417958275 /nfs/dbraw/zinc/95/82/75/417958275.db2.gz QJIJSLRNQPEYNJ-UHFFFAOYSA-N 1 3 322.453 0.271 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000662945288 417959891 /nfs/dbraw/zinc/95/98/91/417959891.db2.gz LWJIWTKYRZOJGV-DLOVCJGASA-N 1 3 305.382 0.178 20 0 DCADHO CCCN(C(=O)C(=O)N(C)CCN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000652732530 417960072 /nfs/dbraw/zinc/96/00/72/417960072.db2.gz MSTLXMNMBXUCIM-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)[C@H](CN)C1 ZINC000662988137 417973226 /nfs/dbraw/zinc/97/32/26/417973226.db2.gz QFUBHNNDKTUEJV-HIFRSBDPSA-N 1 3 324.469 0.372 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1CCC[NH2+]CC1 ZINC000653047833 418016654 /nfs/dbraw/zinc/01/66/54/418016654.db2.gz YJTIXWVLWTWUQJ-ZDUSSCGKSA-N 1 3 303.410 0.819 20 0 DCADHO C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000653105793 418026368 /nfs/dbraw/zinc/02/63/68/418026368.db2.gz JVSQHJCYTXQCTN-HOTGVXAUSA-N 1 3 304.438 0.656 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653115498 418030058 /nfs/dbraw/zinc/03/00/58/418030058.db2.gz QRSXRUARRNEGBO-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000658521621 417980943 /nfs/dbraw/zinc/98/09/43/417980943.db2.gz IHFVNQSSAHTVFD-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000658521621 417980948 /nfs/dbraw/zinc/98/09/48/417980948.db2.gz IHFVNQSSAHTVFD-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C(=O)NCCC[N@H+](C)CCOC)[C@H]1CCN(C)C1 ZINC000663691633 418048261 /nfs/dbraw/zinc/04/82/61/418048261.db2.gz LCXUILZKVMYDKY-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CCN(C(=O)NCCC[N@@H+](C)CCOC)[C@H]1CCN(C)C1 ZINC000663691633 418048264 /nfs/dbraw/zinc/04/82/64/418048264.db2.gz LCXUILZKVMYDKY-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CN(CCN1CCCCC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000653274241 418050793 /nfs/dbraw/zinc/05/07/93/418050793.db2.gz AVFGIHXDNIWEMW-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000659113945 418063753 /nfs/dbraw/zinc/06/37/53/418063753.db2.gz ZYQIFRRJQKUZCR-GFCCVEGCSA-N 1 3 306.410 0.719 20 0 DCADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3CNCCO3)cc21 ZINC000659323574 418081959 /nfs/dbraw/zinc/08/19/59/418081959.db2.gz XLYLNVXUQSEVMA-CABCVRRESA-N 1 3 303.406 0.783 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000664066261 418082619 /nfs/dbraw/zinc/08/26/19/418082619.db2.gz SSMDRPZRHGEBIG-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO COCCNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659350496 418085633 /nfs/dbraw/zinc/08/56/33/418085633.db2.gz KFKWKQQSJMSTPW-HUUCEWRRSA-N 1 3 309.385 0.623 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000659438224 418097728 /nfs/dbraw/zinc/09/77/28/418097728.db2.gz XXWVCUNITIVYKR-VXGBXAGGSA-N 1 3 320.397 0.067 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000659438224 418097730 /nfs/dbraw/zinc/09/77/30/418097730.db2.gz XXWVCUNITIVYKR-VXGBXAGGSA-N 1 3 320.397 0.067 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000659438218 418097875 /nfs/dbraw/zinc/09/78/75/418097875.db2.gz XXWVCUNITIVYKR-NEPJUHHUSA-N 1 3 320.397 0.067 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000659438218 418097877 /nfs/dbraw/zinc/09/78/77/418097877.db2.gz XXWVCUNITIVYKR-NEPJUHHUSA-N 1 3 320.397 0.067 20 0 DCADHO CC(C)Nc1nc(NCCO)nc(NCC[C@H](C)[NH+](C)C)n1 ZINC000664242920 418101729 /nfs/dbraw/zinc/10/17/29/418101729.db2.gz BKUNGOIFWJVXHE-NSHDSACASA-N 1 3 311.434 0.848 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659608145 418125817 /nfs/dbraw/zinc/12/58/17/418125817.db2.gz LETWNDJVMSSXKZ-LSDHHAIUSA-N 1 3 310.442 0.633 20 0 DCADHO C[NH+]1CCC(C)(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659631523 418133559 /nfs/dbraw/zinc/13/35/59/418133559.db2.gz WTRNOIYBZZEBNH-UHFFFAOYSA-N 1 3 322.413 0.172 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654731089 418180353 /nfs/dbraw/zinc/18/03/53/418180353.db2.gz BWGFZTDJVMNEJR-OFQRWUPVSA-N 1 3 312.458 0.615 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659696470 418150365 /nfs/dbraw/zinc/15/03/65/418150365.db2.gz ADJZCXMBXNUVMH-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1O ZINC000664793258 418154780 /nfs/dbraw/zinc/15/47/80/418154780.db2.gz YPAFDACJBDPQBM-WUCCLRPBSA-N 1 3 310.442 0.320 20 0 DCADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1)C1CC1 ZINC000659714040 418158201 /nfs/dbraw/zinc/15/82/01/418158201.db2.gz IFEYTXSQAIWCAG-UKRRQHHQSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659713385 418158318 /nfs/dbraw/zinc/15/83/18/418158318.db2.gz IRBFREJNDREKFY-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659716657 418159602 /nfs/dbraw/zinc/15/96/02/418159602.db2.gz BPCFTNZJMBBFGI-OLZOCXBDSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659718218 418160203 /nfs/dbraw/zinc/16/02/03/418160203.db2.gz MSGWASBUJAZGJB-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659721892 418162451 /nfs/dbraw/zinc/16/24/51/418162451.db2.gz LEHASLYHEXSLDE-UPJWGTAASA-N 1 3 310.442 0.090 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659724605 418163568 /nfs/dbraw/zinc/16/35/68/418163568.db2.gz SAPDLJKATMMYAI-GFCCVEGCSA-N 1 3 312.458 0.609 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659737789 418171199 /nfs/dbraw/zinc/17/11/99/418171199.db2.gz VPJXJAUHELELEY-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000659741051 418171658 /nfs/dbraw/zinc/17/16/58/418171658.db2.gz KCBOYTWOLCZIKI-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C1 ZINC000659739470 418172630 /nfs/dbraw/zinc/17/26/30/418172630.db2.gz VAYLERYMERFMSY-MELADBBJSA-N 1 3 310.442 0.315 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000654663453 418173547 /nfs/dbraw/zinc/17/35/47/418173547.db2.gz PIFWGLMEKIISPZ-KFWWJZLASA-N 1 3 312.458 0.473 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000649352869 418247586 /nfs/dbraw/zinc/24/75/86/418247586.db2.gz RJJLPTBHALUWOV-OWCLPIDISA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CO[C@H](C)C1 ZINC000665213400 418184992 /nfs/dbraw/zinc/18/49/92/418184992.db2.gz TUXZWCFFXXJIMF-BFHYXJOUSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CO[C@H](C)C1 ZINC000665213400 418184995 /nfs/dbraw/zinc/18/49/95/418184995.db2.gz TUXZWCFFXXJIMF-BFHYXJOUSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274672 418191843 /nfs/dbraw/zinc/19/18/43/418191843.db2.gz VQWYUASNLSTLPV-DMRKSPOLSA-N 1 3 323.481 0.972 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccccc2OCCN(C)C)CCO1 ZINC000649274858 418217388 /nfs/dbraw/zinc/21/73/88/418217388.db2.gz XGXICRQTGGRLTF-CJNGLKHVSA-N 1 3 321.421 0.815 20 0 DCADHO C[C@H](NC(=O)CN1CCCC[C@H](N)C1=O)C1CC[NH+](C)CC1 ZINC000649314555 418233835 /nfs/dbraw/zinc/23/38/35/418233835.db2.gz BLZMGPMOMOYCLY-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCN1CCCO)C(F)(F)F ZINC000655928383 418303956 /nfs/dbraw/zinc/30/39/56/418303956.db2.gz RQDDBWSQPBZYPO-VHSXEESVSA-N 1 3 312.336 0.022 20 0 DCADHO COc1ccc([C@@H](C[NH3+])CN2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655948380 418306565 /nfs/dbraw/zinc/30/65/65/418306565.db2.gz ZAKWNCILQDBGJQ-HRCADAONSA-N 1 3 305.422 0.488 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[NH2+]1 ZINC000656025465 418320767 /nfs/dbraw/zinc/32/07/67/418320767.db2.gz KSQVLRFTFBDQOS-KBXIAJHMSA-N 1 3 322.453 0.376 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656028858 418321352 /nfs/dbraw/zinc/32/13/52/418321352.db2.gz SHMGREYPAPTMRP-ZNMIVQPWSA-N 1 3 322.453 0.459 20 0 DCADHO NC[C@@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(F)(F)F ZINC000655517179 418271898 /nfs/dbraw/zinc/27/18/98/418271898.db2.gz BBXAZDKJSWCSOO-NXEZZACHSA-N 1 3 305.304 0.427 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COC1CCOCC1)C2 ZINC000660657988 418279375 /nfs/dbraw/zinc/27/93/75/418279375.db2.gz VELHTZYXSZDBOU-DOTOQJQBSA-N 1 3 312.454 0.961 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COC1CCOCC1)C2 ZINC000660657988 418279377 /nfs/dbraw/zinc/27/93/77/418279377.db2.gz VELHTZYXSZDBOU-DOTOQJQBSA-N 1 3 312.454 0.961 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656283483 418339400 /nfs/dbraw/zinc/33/94/00/418339400.db2.gz BBAQSHQFJSNXAZ-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656296075 418341001 /nfs/dbraw/zinc/34/10/01/418341001.db2.gz PUIYMTJUVSUIAI-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO c1c(CN2CC[NH2+]CC2)nnn1CCCN1CCSCC1 ZINC000656449881 418354999 /nfs/dbraw/zinc/35/49/99/418354999.db2.gz ITDCAXCUWJFZDM-UHFFFAOYSA-N 1 3 310.471 0.122 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000661834413 418364028 /nfs/dbraw/zinc/36/40/28/418364028.db2.gz GVBJROQOSQZQGJ-HUUCEWRRSA-N 1 3 309.454 0.869 20 0 DCADHO C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N(C)C1CC1 ZINC000662441196 418410227 /nfs/dbraw/zinc/41/02/27/418410227.db2.gz CEBFXGTZAXGGOF-LLVKDONJSA-N 1 3 306.414 0.415 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237018309 261156642 /nfs/dbraw/zinc/15/66/42/261156642.db2.gz RBRRHKQUJBYUOU-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000354645371 261250097 /nfs/dbraw/zinc/25/00/97/261250097.db2.gz HMKQNBZNKGJCEX-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354662759 261253208 /nfs/dbraw/zinc/25/32/08/261253208.db2.gz MITYVZYCEXUUKF-TZMCWYRMSA-N 1 3 322.453 0.186 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C2CCCC2)CC1 ZINC000354684411 261258451 /nfs/dbraw/zinc/25/84/51/261258451.db2.gz DJAOXZYSVNCFCU-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CCC(NC(=O)CN2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000362393633 262028356 /nfs/dbraw/zinc/02/83/56/262028356.db2.gz SWGYRPKQOIJDNM-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCC(NC(=O)CN2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000362393633 262028359 /nfs/dbraw/zinc/02/83/59/262028359.db2.gz SWGYRPKQOIJDNM-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000362970195 262090860 /nfs/dbraw/zinc/09/08/60/262090860.db2.gz IWIYNPDVLOPXIN-ZNMIVQPWSA-N 1 3 312.458 0.879 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000362970195 262090862 /nfs/dbraw/zinc/09/08/62/262090862.db2.gz IWIYNPDVLOPXIN-ZNMIVQPWSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000362969242 262091123 /nfs/dbraw/zinc/09/11/23/262091123.db2.gz JWDVVMQTNYIFJN-OCCSQVGLSA-N 1 3 306.410 0.546 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000362969242 262091124 /nfs/dbraw/zinc/09/11/24/262091124.db2.gz JWDVVMQTNYIFJN-OCCSQVGLSA-N 1 3 306.410 0.546 20 0 DCADHO [NH3+]CCN(CCO)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416787047 262240437 /nfs/dbraw/zinc/24/04/37/262240437.db2.gz NSBWZYOVLPWNLL-INIZCTEOSA-N 1 3 320.437 0.786 20 0 DCADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH3+])CCO)N(C)C)cc1 ZINC000416845192 262240612 /nfs/dbraw/zinc/24/06/12/262240612.db2.gz RFNDYEIGFINBOV-MRXNPFEDSA-N 1 3 322.453 0.814 20 0 DCADHO COCC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416850220 262241235 /nfs/dbraw/zinc/24/12/35/262241235.db2.gz ZFERPKMDSXBIEE-INIZCTEOSA-N 1 3 320.437 0.796 20 0 DCADHO C[NH+](C)CCN1CCC(NC(=O)N2CCNC(C)(C)C2)CC1 ZINC000416970986 262242772 /nfs/dbraw/zinc/24/27/72/262242772.db2.gz FYZNDBYYMFFPMS-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417027620 262243639 /nfs/dbraw/zinc/24/36/39/262243639.db2.gz NTSYEGBPBKGENW-KFWWJZLASA-N 1 3 312.458 0.642 20 0 DCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417048273 262244419 /nfs/dbraw/zinc/24/44/19/262244419.db2.gz RJUUHUZFKHEPJE-CABCVRRESA-N 1 3 312.458 0.786 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417048273 262244420 /nfs/dbraw/zinc/24/44/20/262244420.db2.gz RJUUHUZFKHEPJE-CABCVRRESA-N 1 3 312.458 0.786 20 0 DCADHO COCCN(C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000417087329 262245952 /nfs/dbraw/zinc/24/59/52/262245952.db2.gz FEELODNJDFAVRX-SOUVJXGZSA-N 1 3 312.458 0.724 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000417844143 262263598 /nfs/dbraw/zinc/26/35/98/262263598.db2.gz ZONUHMWTDSLDOQ-VNHYZAJKSA-N 1 3 312.483 0.960 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417992175 262267044 /nfs/dbraw/zinc/26/70/44/262267044.db2.gz MBXGWYSUVSMOND-HZPDHXFCSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCN1C ZINC000418000118 262267845 /nfs/dbraw/zinc/26/78/45/262267845.db2.gz IYXJQITZRLDGBP-QLFBSQMISA-N 1 3 309.458 0.158 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418188604 262272119 /nfs/dbraw/zinc/27/21/19/262272119.db2.gz GMROBTWTWBAFIV-CYBMUJFWSA-N 1 3 323.441 0.819 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCC[NH2+]CC ZINC000418316007 262274106 /nfs/dbraw/zinc/27/41/06/262274106.db2.gz JFNKWZFZNASPNR-UHFFFAOYSA-N 1 3 313.490 0.655 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN1CCCO ZINC000418433769 262278165 /nfs/dbraw/zinc/27/81/65/262278165.db2.gz DHQGJMZDRJEMCC-UONOGXRCSA-N 1 3 300.447 0.506 20 0 DCADHO COCC[NH2+]CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000418514157 262280002 /nfs/dbraw/zinc/28/00/02/262280002.db2.gz WEVZXPGXGOUCKT-UHFFFAOYSA-N 1 3 300.447 0.644 20 0 DCADHO [NH3+]CCCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418523896 262281023 /nfs/dbraw/zinc/28/10/23/262281023.db2.gz KRPPNUWIDOAYKV-QGZVFWFLSA-N 1 3 320.437 0.662 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418529720 262281761 /nfs/dbraw/zinc/28/17/61/262281761.db2.gz UAAKSZABTLQFJL-FVQBIDKESA-N 1 3 320.437 0.516 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000418604870 262283978 /nfs/dbraw/zinc/28/39/78/262283978.db2.gz SHWNUXVNJKMIJG-OAHLLOKOSA-N 1 3 310.442 0.442 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000419004421 262303471 /nfs/dbraw/zinc/30/34/71/262303471.db2.gz REBAWLXCLWKUAD-CQSZACIVSA-N 1 3 310.442 0.078 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419082255 262307724 /nfs/dbraw/zinc/30/77/24/262307724.db2.gz UJTJLNWVGWLNGN-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419155814 262314319 /nfs/dbraw/zinc/31/43/19/262314319.db2.gz ITMSBZZNOAHWQJ-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000419163278 262315272 /nfs/dbraw/zinc/31/52/72/262315272.db2.gz WAHNHZODUGLGKM-ZDUSSCGKSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419167559 262316062 /nfs/dbraw/zinc/31/60/62/262316062.db2.gz IYKUFICJHQYPKY-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419411264 262331000 /nfs/dbraw/zinc/33/10/00/262331000.db2.gz BJUXKZNIPMGHJL-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419410549 262331400 /nfs/dbraw/zinc/33/14/00/262331400.db2.gz AMLNQRMMJLBGLH-RDBSUJKOSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419419040 262332290 /nfs/dbraw/zinc/33/22/90/262332290.db2.gz YSPXRCPZNACVOV-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419427220 262333122 /nfs/dbraw/zinc/33/31/22/262333122.db2.gz RLEYNAJDSYRYJP-KFWWJZLASA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N(C)C1CC1 ZINC000419588572 262338763 /nfs/dbraw/zinc/33/87/63/262338763.db2.gz ONUSFXZUJZJGJP-DHMWGJHJSA-N 1 3 322.453 0.171 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419596045 262339569 /nfs/dbraw/zinc/33/95/69/262339569.db2.gz XLCURTMVDBVBJB-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)N(C)C1CC1 ZINC000419593601 262339621 /nfs/dbraw/zinc/33/96/21/262339621.db2.gz SXIBGPZVNLLOPQ-TZMCWYRMSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)N(C)C1CC1 ZINC000419593596 262339840 /nfs/dbraw/zinc/33/98/40/262339840.db2.gz SXIBGPZVNLLOPQ-GXTWGEPZSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419690843 262345308 /nfs/dbraw/zinc/34/53/08/262345308.db2.gz CVPXVIOSYJCRQF-NFAWXSAZSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419697121 262346897 /nfs/dbraw/zinc/34/68/97/262346897.db2.gz NVUMLVRTRWBWMO-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419959063 262354162 /nfs/dbraw/zinc/35/41/62/262354162.db2.gz CYJFNUVPCRPZHL-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419967453 262354390 /nfs/dbraw/zinc/35/43/90/262354390.db2.gz BDZGCUWVYOVBOX-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419981078 262355763 /nfs/dbraw/zinc/35/57/63/262355763.db2.gz RQCSIVOLQFFWQW-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420051734 262357845 /nfs/dbraw/zinc/35/78/45/262357845.db2.gz CFSXXWNOORJWQJ-OAHLLOKOSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420073007 262359711 /nfs/dbraw/zinc/35/97/11/262359711.db2.gz XTACRXZEOJLVAD-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420088120 262359939 /nfs/dbraw/zinc/35/99/39/262359939.db2.gz HBVWFMCYHWNTPL-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000420140792 262363178 /nfs/dbraw/zinc/36/31/78/262363178.db2.gz YWZCHKISRRELFL-TUVASFSCSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C[NH+]1CCCC1 ZINC000422083227 262395056 /nfs/dbraw/zinc/39/50/56/262395056.db2.gz HOZDNXSIPYQMNI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422180563 262399930 /nfs/dbraw/zinc/39/99/30/262399930.db2.gz FMDZBWMQKPFTGZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO COCCNCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418508834 271247637 /nfs/dbraw/zinc/24/76/37/271247637.db2.gz NJLJIZWUMHWFSG-LSDHHAIUSA-N 1 3 312.458 0.786 20 0 DCADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCN1CCCO)C1CCCC1 ZINC000418624475 271249202 /nfs/dbraw/zinc/24/92/02/271249202.db2.gz PANMDRJQJNIWBU-LSDHHAIUSA-N 1 3 312.458 0.650 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)[C@H]1CN ZINC000418991697 271264531 /nfs/dbraw/zinc/26/45/31/271264531.db2.gz MYIODPIPIRKWCS-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)[C@H]1CN ZINC000418991697 271264535 /nfs/dbraw/zinc/26/45/35/271264535.db2.gz MYIODPIPIRKWCS-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419024880 271266244 /nfs/dbraw/zinc/26/62/44/271266244.db2.gz LEXVCAMTROHHPD-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419522801 271297891 /nfs/dbraw/zinc/29/78/91/271297891.db2.gz NNDPRLXWBXTZKK-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000419540364 271302653 /nfs/dbraw/zinc/30/26/53/271302653.db2.gz HJDORRVTVLYRJA-CHWSQXEVSA-N 1 3 314.474 0.569 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419583212 271311617 /nfs/dbraw/zinc/31/16/17/271311617.db2.gz JVSIYWSEENXFDS-BFHYXJOUSA-N 1 3 310.442 0.221 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419810423 271326640 /nfs/dbraw/zinc/32/66/40/271326640.db2.gz FPHOPSFBTBKBRY-HZSPNIEDSA-N 1 3 310.442 0.363 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419810423 271326642 /nfs/dbraw/zinc/32/66/42/271326642.db2.gz FPHOPSFBTBKBRY-HZSPNIEDSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419862977 271335797 /nfs/dbraw/zinc/33/57/97/271335797.db2.gz DIBCDIUANANONE-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419933752 271345569 /nfs/dbraw/zinc/34/55/69/271345569.db2.gz FXFREICFLZWQCB-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000419947200 271347808 /nfs/dbraw/zinc/34/78/08/271347808.db2.gz CFGFXGHSBKESGW-AWEZNQCLSA-N 1 3 314.474 0.522 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420017494 271353108 /nfs/dbraw/zinc/35/31/08/271353108.db2.gz OERZTSYTBAONPA-BFHYXJOUSA-N 1 3 310.442 0.221 20 0 DCADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000422773048 271383882 /nfs/dbraw/zinc/38/38/82/271383882.db2.gz XXVYBJPNQZFGIF-GJZGRUSLSA-N 1 3 324.469 0.598 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000471659382 272029144 /nfs/dbraw/zinc/02/91/44/272029144.db2.gz QGIQJUDAZYLRLF-HUUCEWRRSA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000471659382 272029145 /nfs/dbraw/zinc/02/91/45/272029145.db2.gz QGIQJUDAZYLRLF-HUUCEWRRSA-N 1 3 312.458 0.690 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000487194576 272040015 /nfs/dbraw/zinc/04/00/15/272040015.db2.gz CGCPXQOKYGOYLJ-LSDHHAIUSA-N 1 3 310.486 0.716 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000487194576 272040017 /nfs/dbraw/zinc/04/00/17/272040017.db2.gz CGCPXQOKYGOYLJ-LSDHHAIUSA-N 1 3 310.486 0.716 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000489756556 272066846 /nfs/dbraw/zinc/06/68/46/272066846.db2.gz LBKFUQYRYLUUBG-KGLIPLIRSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C)C/C=C/C(=O)N(CCNC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491848246 272107421 /nfs/dbraw/zinc/10/74/21/272107421.db2.gz MSDARXWBDPGZCU-CGXWXWIYSA-N 1 3 322.453 0.329 20 0 DCADHO CN(C)C/C=C\C(=O)NCCN(C(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000491848246 272107423 /nfs/dbraw/zinc/10/74/23/272107423.db2.gz MSDARXWBDPGZCU-CGXWXWIYSA-N 1 3 322.453 0.329 20 0 DCADHO CN(C)C/C=C\C(=O)NC1(CNC(=O)/C=C/C[NH+](C)C)CCC1 ZINC000492934092 272159885 /nfs/dbraw/zinc/15/98/85/272159885.db2.gz VMIONPDTWPMIFB-OWNHSFIXSA-N 1 3 322.453 0.377 20 0 DCADHO CN(C)C/C=C/C(=O)NCC1(NC(=O)/C=C\C[NH+](C)C)CCC1 ZINC000492934092 272159887 /nfs/dbraw/zinc/15/98/87/272159887.db2.gz VMIONPDTWPMIFB-OWNHSFIXSA-N 1 3 322.453 0.377 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000519532975 272502343 /nfs/dbraw/zinc/50/23/43/272502343.db2.gz KMGNKYZZEDZVLB-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000534110778 287805410 /nfs/dbraw/zinc/80/54/10/287805410.db2.gz QAEVLUYFIAUCFU-HUUCEWRRSA-N 1 3 312.458 0.689 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000339633197 275940450 /nfs/dbraw/zinc/94/04/50/275940450.db2.gz NERCUIPMTGJJGB-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342094427 276337152 /nfs/dbraw/zinc/33/71/52/276337152.db2.gz YKFYEUNWULPBHE-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH2+]CCN(C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000120406979 277269115 /nfs/dbraw/zinc/26/91/15/277269115.db2.gz LSTCCOHYEWZHCX-UHFFFAOYSA-N 1 3 304.438 0.877 20 0 DCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418829911 278245935 /nfs/dbraw/zinc/24/59/35/278245935.db2.gz FASRLVYFRZUMRP-ZFWWWQNUSA-N 1 3 320.437 0.081 20 0 DCADHO CC[NH+](CC)C[C@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000338304067 279135313 /nfs/dbraw/zinc/13/53/13/279135313.db2.gz HXLODICFGVGLRX-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000340768948 279190660 /nfs/dbraw/zinc/19/06/60/279190660.db2.gz FYUQXDBVHDCWJP-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCNCC2)CC1=O ZINC000247323765 279304240 /nfs/dbraw/zinc/30/42/40/279304240.db2.gz SVYREURKAQYYJC-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCCNCC2)CC1=O ZINC000247323765 279304241 /nfs/dbraw/zinc/30/42/41/279304241.db2.gz SVYREURKAQYYJC-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000342046370 279331461 /nfs/dbraw/zinc/33/14/61/279331461.db2.gz VHPBIRHJXWMZFJ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000342046370 279331463 /nfs/dbraw/zinc/33/14/63/279331463.db2.gz VHPBIRHJXWMZFJ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262059351 288126255 /nfs/dbraw/zinc/12/62/55/288126255.db2.gz ARAUIBHKXLVINO-UKRRQHHQSA-N 1 3 317.437 0.561 20 0 DCADHO COC(=O)[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000560845353 288520467 /nfs/dbraw/zinc/52/04/67/288520467.db2.gz AXGSTCXUSQRNOS-BETUJISGSA-N 1 3 314.430 0.073 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNCC2 ZINC000563103319 288630605 /nfs/dbraw/zinc/63/06/05/288630605.db2.gz DQWNSQKPIWNHQK-HNNXBMFYSA-N 1 3 316.405 0.529 20 0 DCADHO CN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000339634856 289377029 /nfs/dbraw/zinc/37/70/29/289377029.db2.gz IOOUKWGZNFJQCX-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO COC[C@]1(CNC(=O)NC[C@H](N)c2ccccc2)CCC[NH2+]1 ZINC000418450212 293290126 /nfs/dbraw/zinc/29/01/26/293290126.db2.gz LFNDDKJLAHFGSC-GOEBONIOSA-N 1 3 306.410 0.754 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC001650158704 1173488730 /nfs/dbraw/zinc/48/87/30/1173488730.db2.gz OKLYURJWDQHCEI-OAHLLOKOSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@H]1CN(CCN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337296228 300259999 /nfs/dbraw/zinc/25/99/99/300259999.db2.gz JILXFGCHDJXPLO-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H]1CN(CCN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337296228 300260005 /nfs/dbraw/zinc/26/00/05/300260005.db2.gz JILXFGCHDJXPLO-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H]1CN(CCN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CCO1 ZINC000337296228 300260007 /nfs/dbraw/zinc/26/00/07/300260007.db2.gz JILXFGCHDJXPLO-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000570798155 332818849 /nfs/dbraw/zinc/81/88/49/332818849.db2.gz QMYSKFWSFXZJAB-CABCVRRESA-N 1 3 309.454 0.585 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000580213792 333013630 /nfs/dbraw/zinc/01/36/30/333013630.db2.gz DYEVQSAVMOZEKA-CABCVRRESA-N 1 3 312.458 0.785 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000570953493 333209585 /nfs/dbraw/zinc/20/95/85/333209585.db2.gz FBLQBFFZGUGIKI-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000582231235 336285175 /nfs/dbraw/zinc/28/51/75/336285175.db2.gz VGGNPPKEWQEGAH-CABCVRRESA-N 1 3 312.458 0.642 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000582231235 336285176 /nfs/dbraw/zinc/28/51/76/336285176.db2.gz VGGNPPKEWQEGAH-CABCVRRESA-N 1 3 312.458 0.642 20 0 DCADHO C[NH2+][C@@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000582250741 336394536 /nfs/dbraw/zinc/39/45/36/336394536.db2.gz BDAYXRONIMOFKL-LBPRGKRZSA-N 1 3 306.410 0.202 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000582476022 337095882 /nfs/dbraw/zinc/09/58/82/337095882.db2.gz FWKSVVYZTOJIIQ-TZMCWYRMSA-N 1 3 303.410 0.818 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1(C)C ZINC000580194061 517716593 /nfs/dbraw/zinc/71/65/93/517716593.db2.gz PWOJLZSTCGZODT-SBMIAAHKSA-N 1 3 311.348 0.915 20 0 DCADHO C[C@@H](Cn1cccn1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969405 518177723 /nfs/dbraw/zinc/17/77/23/518177723.db2.gz GOUPBLCLFCEQEH-NWDGAFQWSA-N 1 3 305.348 0.697 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000366297862 521721698 /nfs/dbraw/zinc/72/16/98/521721698.db2.gz DKZGUJQMHORUIM-KURKYZTESA-N 1 3 324.513 0.713 20 0 DCADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000366297862 521721699 /nfs/dbraw/zinc/72/16/99/521721699.db2.gz DKZGUJQMHORUIM-KURKYZTESA-N 1 3 324.513 0.713 20 0 DCADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000366297862 521721700 /nfs/dbraw/zinc/72/17/00/521721700.db2.gz DKZGUJQMHORUIM-KURKYZTESA-N 1 3 324.513 0.713 20 0 DCADHO CC[C@]1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000364255671 523538003 /nfs/dbraw/zinc/53/80/03/523538003.db2.gz QRGFEIVPRDBDJD-DOTOQJQBSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000237606455 524181419 /nfs/dbraw/zinc/18/14/19/524181419.db2.gz PUYUBWWHLJCPSX-GDBMZVCRSA-N 1 3 304.438 0.734 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)C3(C)C[NH2+]C3)ccc2oc1=O ZINC000423386651 535933115 /nfs/dbraw/zinc/93/31/15/535933115.db2.gz MEPWUMVXJGHPQR-UHFFFAOYSA-N 1 3 318.377 0.704 20 0 DCADHO C[NH+](C)CCn1c2cc(NC(=O)CNC3CC3)ccc2oc1=O ZINC000236990074 545953554 /nfs/dbraw/zinc/95/35/54/545953554.db2.gz HZLAWEFFHFZAHJ-UHFFFAOYSA-N 1 3 318.377 0.847 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000333358130 546078498 /nfs/dbraw/zinc/07/84/98/546078498.db2.gz KRIDMLCIIQZZNJ-OBJOEFQTSA-N 1 3 300.472 0.863 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)[nH]1 ZINC000373885670 546211839 /nfs/dbraw/zinc/21/18/39/546211839.db2.gz MLGOFNHWITZPSI-LRDDRELGSA-N 1 3 312.377 0.869 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@H+](C)CC2(N(C)C)CCC2)C[C@H](C)O1 ZINC000445872650 546257706 /nfs/dbraw/zinc/25/77/06/546257706.db2.gz XOYUYUADBLZJGJ-OWCLPIDISA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC2(N(C)C)CCC2)C[C@H](C)O1 ZINC000445872650 546257710 /nfs/dbraw/zinc/25/77/10/546257710.db2.gz XOYUYUADBLZJGJ-OWCLPIDISA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H](O)C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760271 546395072 /nfs/dbraw/zinc/39/50/72/546395072.db2.gz DUPIKHFXFJYUAK-MELADBBJSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](O)C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760271 546395075 /nfs/dbraw/zinc/39/50/75/546395075.db2.gz DUPIKHFXFJYUAK-MELADBBJSA-N 1 3 302.463 0.717 20 0 DCADHO Nc1nccc([C@@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662277063 546373673 /nfs/dbraw/zinc/37/36/73/546373673.db2.gz NLHIWLBVBXGRET-CHWSQXEVSA-N 1 3 303.410 0.759 20 0 DCADHO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H]1CCC3(CNC3)O1)CC2 ZINC000662254859 546373791 /nfs/dbraw/zinc/37/37/91/546373791.db2.gz BOCQHQOOAWGHGJ-QLFBSQMISA-N 1 3 310.438 0.759 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC[C@H]1O ZINC000665761814 546397593 /nfs/dbraw/zinc/39/75/93/546397593.db2.gz QRMSMLVLJGGROP-RRFJBIMHSA-N 1 3 314.474 0.861 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC[C@H]1O ZINC000665761814 546397595 /nfs/dbraw/zinc/39/75/95/546397595.db2.gz QRMSMLVLJGGROP-RRFJBIMHSA-N 1 3 314.474 0.861 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccn(C)c1=O ZINC000666151693 546432295 /nfs/dbraw/zinc/43/22/95/546432295.db2.gz PPCNWRKNFLDXGI-ZDUSSCGKSA-N 1 3 323.441 0.779 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccn(C)c1=O ZINC000666151693 546432298 /nfs/dbraw/zinc/43/22/98/546432298.db2.gz PPCNWRKNFLDXGI-ZDUSSCGKSA-N 1 3 323.441 0.779 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000668624775 546805570 /nfs/dbraw/zinc/80/55/70/546805570.db2.gz BESQJKHPCIRGNO-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H]1CN(C(=O)NCCCN(C)CCOC)CC[C@H]1[NH3+] ZINC000669389046 546965664 /nfs/dbraw/zinc/96/56/64/546965664.db2.gz YMMJYCYIGWJZBI-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)NC/C=C/C[NH3+])cc1 ZINC000669462392 546973149 /nfs/dbraw/zinc/97/31/49/546973149.db2.gz OZOLJZBHKUFFBL-ONEGZZNKSA-N 1 3 320.437 0.984 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000669491250 546978632 /nfs/dbraw/zinc/97/86/32/546978632.db2.gz RVLNJBLMCFRHMU-CVEARBPZSA-N 1 3 321.469 0.160 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669491522 546978923 /nfs/dbraw/zinc/97/89/23/546978923.db2.gz OFINSIHNPPRMPG-INIZCTEOSA-N 1 3 318.421 0.810 20 0 DCADHO CC[C@H]1CN(C(=O)NCCN(C)CCCOC)CC[C@@H]1[NH3+] ZINC000669498412 546979994 /nfs/dbraw/zinc/97/99/94/546979994.db2.gz SSFRWPJHTMXXRZ-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000669508614 546982149 /nfs/dbraw/zinc/98/21/49/546982149.db2.gz CXPYZZMADVVCHH-DGCLKSJQSA-N 1 3 309.435 0.906 20 0 DCADHO CN(C)[C@]1(CNC(=O)NCC2CC[NH2+]CC2)CCSC1 ZINC000669514745 546982818 /nfs/dbraw/zinc/98/28/18/546982818.db2.gz DPPFFIXBKHVADF-AWEZNQCLSA-N 1 3 300.472 0.723 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519635 546984069 /nfs/dbraw/zinc/98/40/69/546984069.db2.gz LFOBMVGDSXVGGZ-FMKPAKJESA-N 1 3 324.469 0.324 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000670472178 547101085 /nfs/dbraw/zinc/10/10/85/547101085.db2.gz KFWNGUKZNSYWCW-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000670472177 547101470 /nfs/dbraw/zinc/10/14/70/547101470.db2.gz KFWNGUKZNSYWCW-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@H]1[NH+](C)C ZINC000670782893 547128545 /nfs/dbraw/zinc/12/85/45/547128545.db2.gz QNDMPGCMCSOGNQ-IUODEOHRSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672098276 547318979 /nfs/dbraw/zinc/31/89/79/547318979.db2.gz GOVWVHGLXITORM-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672098276 547318983 /nfs/dbraw/zinc/31/89/83/547318983.db2.gz GOVWVHGLXITORM-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000672698223 547394166 /nfs/dbraw/zinc/39/41/66/547394166.db2.gz MYUBQYXRBPIJQB-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CC[NH+](C)CC1 ZINC000673670754 547513853 /nfs/dbraw/zinc/51/38/53/547513853.db2.gz OYYNNOTYPCODGM-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000674329742 547581717 /nfs/dbraw/zinc/58/17/17/547581717.db2.gz MLQBTGORCTVMON-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000674329742 547581719 /nfs/dbraw/zinc/58/17/19/547581719.db2.gz MLQBTGORCTVMON-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO Cc1nccn1CCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678082115 547945009 /nfs/dbraw/zinc/94/50/09/547945009.db2.gz JJXJEEJZHLXIDC-OAHLLOKOSA-N 1 3 305.426 0.606 20 0 DCADHO Cc1nccn1CCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678082115 547945012 /nfs/dbraw/zinc/94/50/12/547945012.db2.gz JJXJEEJZHLXIDC-OAHLLOKOSA-N 1 3 305.426 0.606 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](N[C@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC000678770238 548002946 /nfs/dbraw/zinc/00/29/46/548002946.db2.gz FADNXZJCKXEWEH-KGLIPLIRSA-N 1 3 315.483 0.322 20 0 DCADHO C[N@H+](C[C@@H](O)CN1CCCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000685561347 548722929 /nfs/dbraw/zinc/72/29/29/548722929.db2.gz WZJLLAHVJABXAN-SJORKVTESA-N 1 3 311.470 0.628 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1CCCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000685561347 548722933 /nfs/dbraw/zinc/72/29/33/548722933.db2.gz WZJLLAHVJABXAN-SJORKVTESA-N 1 3 311.470 0.628 20 0 DCADHO CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000685647450 548728249 /nfs/dbraw/zinc/72/82/49/548728249.db2.gz BOQOMLWEIKTAPI-GJZGRUSLSA-N 1 3 306.458 0.815 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978230437 660503035 /nfs/dbraw/zinc/50/30/35/660503035.db2.gz JSRXJKHLLMDEII-JONQDZQNSA-N 1 3 309.454 0.537 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000978230437 660503036 /nfs/dbraw/zinc/50/30/36/660503036.db2.gz JSRXJKHLLMDEII-JONQDZQNSA-N 1 3 309.454 0.537 20 0 DCADHO Cn1cc(CC[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC000980405203 660932681 /nfs/dbraw/zinc/93/26/81/660932681.db2.gz HLVKCJGVWHULBM-MRXNPFEDSA-N 1 3 319.453 0.591 20 0 DCADHO Cn1cc(CC[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC000980405203 660932684 /nfs/dbraw/zinc/93/26/84/660932684.db2.gz HLVKCJGVWHULBM-MRXNPFEDSA-N 1 3 319.453 0.591 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)CN1C(=O)CN1CCCC1 ZINC000980799271 661013129 /nfs/dbraw/zinc/01/31/29/661013129.db2.gz GDXJAUNCQJQSFH-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO COCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812143 661222840 /nfs/dbraw/zinc/22/28/40/661222840.db2.gz HHSRQXZNGUPOAJ-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812143 661222841 /nfs/dbraw/zinc/22/28/41/661222841.db2.gz HHSRQXZNGUPOAJ-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012366 661272286 /nfs/dbraw/zinc/27/22/86/661272286.db2.gz VMBCXODNSMBOPC-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012366 661272287 /nfs/dbraw/zinc/27/22/87/661272287.db2.gz VMBCXODNSMBOPC-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC[S@@](C)=O)[C@H]1CC[C@H]([N@H+](C)CC[S@@](C)=O)CC1 ZINC000886389352 667761681 /nfs/dbraw/zinc/76/16/81/667761681.db2.gz GRKMFAAIODSLFR-UYVJDWJCSA-N 1 3 322.540 0.918 20 0 DCADHO CN(CC[S@@](C)=O)[C@H]1CC[C@H]([N@@H+](C)CC[S@@](C)=O)CC1 ZINC000886389352 667761683 /nfs/dbraw/zinc/76/16/83/667761683.db2.gz GRKMFAAIODSLFR-UYVJDWJCSA-N 1 3 322.540 0.918 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC000970385322 657461983 /nfs/dbraw/zinc/46/19/83/657461983.db2.gz LRYDBPLGILHHKM-HUUCEWRRSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022165734 657513956 /nfs/dbraw/zinc/51/39/56/657513956.db2.gz DMNVYRAQJHNFPL-GUTXKFCHSA-N 1 3 320.441 0.426 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022165734 657513964 /nfs/dbraw/zinc/51/39/64/657513964.db2.gz DMNVYRAQJHNFPL-GUTXKFCHSA-N 1 3 320.441 0.426 20 0 DCADHO C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])CN1CCN(C)CC1 ZINC000891600543 657514435 /nfs/dbraw/zinc/51/44/35/657514435.db2.gz CHMYRPLABWTBCV-GJZGRUSLSA-N 1 3 311.474 0.393 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891603313 657516544 /nfs/dbraw/zinc/51/65/44/657516544.db2.gz OAVPSTSQFRIACF-ILXRZTDVSA-N 1 3 311.474 0.439 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924486550 657675939 /nfs/dbraw/zinc/67/59/39/657675939.db2.gz QUCVFQDPLNAKJD-ZFWWWQNUSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924486550 657675946 /nfs/dbraw/zinc/67/59/46/657675946.db2.gz QUCVFQDPLNAKJD-ZFWWWQNUSA-N 1 3 320.437 0.877 20 0 DCADHO COC(=O)CCN1CCC[C@@H](N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000933733255 657772173 /nfs/dbraw/zinc/77/21/73/657772173.db2.gz BNSIEXQVKHRTMG-JJRVBVJISA-N 1 3 323.437 0.424 20 0 DCADHO COC(=O)CCN1CCC[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000933733255 657772178 /nfs/dbraw/zinc/77/21/78/657772178.db2.gz BNSIEXQVKHRTMG-JJRVBVJISA-N 1 3 323.437 0.424 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970712827 657812375 /nfs/dbraw/zinc/81/23/75/657812375.db2.gz TZNJTWIDHCDEOX-UKRRQHHQSA-N 1 3 305.426 0.371 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970712827 657812381 /nfs/dbraw/zinc/81/23/81/657812381.db2.gz TZNJTWIDHCDEOX-UKRRQHHQSA-N 1 3 305.426 0.371 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891842829 657814744 /nfs/dbraw/zinc/81/47/44/657814744.db2.gz WZGONISUZOEIPK-MRXNPFEDSA-N 1 3 320.437 0.578 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000891880036 657867945 /nfs/dbraw/zinc/86/79/45/657867945.db2.gz ANOINPKIOMPVJJ-OKILXGFUSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC000970788645 657907927 /nfs/dbraw/zinc/90/79/27/657907927.db2.gz QSNNMJUFRHHYFU-TZMCWYRMSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1)C(N)=O ZINC000970788645 657907934 /nfs/dbraw/zinc/90/79/34/657907934.db2.gz QSNNMJUFRHHYFU-TZMCWYRMSA-N 1 3 318.421 0.426 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891980715 658046479 /nfs/dbraw/zinc/04/64/79/658046479.db2.gz XVZZCOHAVQMVML-BBRMVZONSA-N 1 3 302.422 1.000 20 0 DCADHO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CN(CCO)C1 ZINC000970918253 658076695 /nfs/dbraw/zinc/07/66/95/658076695.db2.gz SFIHGIFOUDIPEK-ZDUSSCGKSA-N 1 3 305.422 0.791 20 0 DCADHO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H]1Cc2ccccc2CN1 ZINC000892001956 658096530 /nfs/dbraw/zinc/09/65/30/658096530.db2.gz YILSRWNUAKSUOY-CZUORRHYSA-N 1 3 302.422 1.000 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1 ZINC001020586825 658164220 /nfs/dbraw/zinc/16/42/20/658164220.db2.gz ZRXQUSCFXYAZDU-MGPQQGTHSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892094476 658181149 /nfs/dbraw/zinc/18/11/49/658181149.db2.gz TYPCNCKORDVAGG-UHOFOFEASA-N 1 3 302.422 0.998 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892099649 658185120 /nfs/dbraw/zinc/18/51/20/658185120.db2.gz UTLLVYSEHYPMCW-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC000969844785 658202669 /nfs/dbraw/zinc/20/26/69/658202669.db2.gz OSKCNVMGUCPNPB-HUUCEWRRSA-N 1 3 307.442 0.660 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC000969951951 658289842 /nfs/dbraw/zinc/28/98/42/658289842.db2.gz SPHBRLCNUAKCAZ-XJKSGUPXSA-N 1 3 317.437 0.960 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000969951951 658289846 /nfs/dbraw/zinc/28/98/46/658289846.db2.gz SPHBRLCNUAKCAZ-XJKSGUPXSA-N 1 3 317.437 0.960 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001023889885 658296696 /nfs/dbraw/zinc/29/66/96/658296696.db2.gz TYDHCCYTSPBDQA-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001023890257 658298672 /nfs/dbraw/zinc/29/86/72/658298672.db2.gz WNXHBNADQWHTKE-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020676264 658367481 /nfs/dbraw/zinc/36/74/81/658367481.db2.gz YPSRNOSOOBAKLO-TUVASFSCSA-N 1 3 322.453 0.375 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001022717135 658374946 /nfs/dbraw/zinc/37/49/46/658374946.db2.gz RBDQEBWKXKCXHC-MJBXVCDLSA-N 1 3 322.453 0.234 20 0 DCADHO Cn1nccc1CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971202210 658403851 /nfs/dbraw/zinc/40/38/51/658403851.db2.gz UHDPXPQOBVYWBE-JKSUJKDBSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1nccc1CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971202210 658403856 /nfs/dbraw/zinc/40/38/56/658403856.db2.gz UHDPXPQOBVYWBE-JKSUJKDBSA-N 1 3 319.453 0.590 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000970104098 658469267 /nfs/dbraw/zinc/46/92/67/658469267.db2.gz ZYYMYNUSVXEYLS-GFCCVEGCSA-N 1 3 322.800 0.693 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@H]1CCCCN1CCO ZINC000892458761 658570171 /nfs/dbraw/zinc/57/01/71/658570171.db2.gz JNHUDBVHGALBSF-NPCAHTBFSA-N 1 3 310.442 0.499 20 0 DCADHO CC(C)[NH+]1CC([C@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970171248 658689161 /nfs/dbraw/zinc/68/91/61/658689161.db2.gz XOGVJMMILGQZKZ-KKVZTGDRSA-N 1 3 307.438 0.695 20 0 DCADHO CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970170542 658689306 /nfs/dbraw/zinc/68/93/06/658689306.db2.gz UKPWYKGWLKWEHI-KKVZTGDRSA-N 1 3 307.438 0.696 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001021048953 658728347 /nfs/dbraw/zinc/72/83/47/658728347.db2.gz CFAHOXDYUQEGOD-IHRRRGAJSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001021048953 658728350 /nfs/dbraw/zinc/72/83/50/658728350.db2.gz CFAHOXDYUQEGOD-IHRRRGAJSA-N 1 3 303.410 0.474 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001021094271 658752935 /nfs/dbraw/zinc/75/29/35/658752935.db2.gz NCWLFWLJKSLKBR-BPLDGKMQSA-N 1 3 305.422 0.979 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891439648 658761111 /nfs/dbraw/zinc/76/11/11/658761111.db2.gz OSFXBWASQYFAFV-MXWKQRLJSA-N 1 3 308.348 0.859 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001022119366 658875937 /nfs/dbraw/zinc/87/59/37/658875937.db2.gz FEKKFYLNWPLYPM-FZKCQIBNSA-N 1 3 307.438 0.887 20 0 DCADHO [NH3+]CC1(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000891514427 658902947 /nfs/dbraw/zinc/90/29/47/658902947.db2.gz RMMBANUIDBGZNU-KGLIPLIRSA-N 1 3 310.442 0.810 20 0 DCADHO [NH3+]CC1(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000891514429 658903984 /nfs/dbraw/zinc/90/39/84/658903984.db2.gz RMMBANUIDBGZNU-ZIAGYGMSSA-N 1 3 310.442 0.810 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC000999356490 665631273 /nfs/dbraw/zinc/63/12/73/665631273.db2.gz ZQAKQLKOBINUAZ-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001027172905 659059993 /nfs/dbraw/zinc/05/99/93/659059993.db2.gz HIFQMORFTHNHAW-CQSZACIVSA-N 1 3 317.437 0.454 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)nn1C ZINC001027218165 659090627 /nfs/dbraw/zinc/09/06/27/659090627.db2.gz YXXGVODTWKETOL-HNNXBMFYSA-N 1 3 319.453 0.762 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000999398910 665639060 /nfs/dbraw/zinc/63/90/60/665639060.db2.gz AZDYXNABMJRPLD-WLYUNCDWSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC000999481121 665650033 /nfs/dbraw/zinc/65/00/33/665650033.db2.gz BAMMOXAIAPYSBR-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000973291703 659228056 /nfs/dbraw/zinc/22/80/56/659228056.db2.gz BHKPHCPASHROLU-AJNGGQMLSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000973291703 659228060 /nfs/dbraw/zinc/22/80/60/659228060.db2.gz BHKPHCPASHROLU-AJNGGQMLSA-N 1 3 322.453 0.043 20 0 DCADHO O=C(N1CCC[C@@H](N[C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000999599240 665663273 /nfs/dbraw/zinc/66/32/73/665663273.db2.gz XTAFDOSEGRJXNA-KGLIPLIRSA-N 1 3 320.437 0.084 20 0 DCADHO COc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)on1 ZINC001026732714 659488770 /nfs/dbraw/zinc/48/87/70/659488770.db2.gz FJELKWXCPNYCBJ-OCCSQVGLSA-N 1 3 322.409 0.716 20 0 DCADHO CCO[C@H](CCN(C)C)C[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893366555 659508624 /nfs/dbraw/zinc/50/86/24/659508624.db2.gz DJOBDHZDZDQNFI-MELADBBJSA-N 1 3 306.472 0.756 20 0 DCADHO CC1(C)CN(CCCO)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000974575278 659578158 /nfs/dbraw/zinc/57/81/58/659578158.db2.gz DGGPIUDTTGEMJH-GJZGRUSLSA-N 1 3 309.454 0.537 20 0 DCADHO COc1cc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001019771208 659608725 /nfs/dbraw/zinc/60/87/25/659608725.db2.gz DMNYFFOLCRTYGZ-CABCVRRESA-N 1 3 318.421 0.732 20 0 DCADHO COc1cc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001019771208 659608730 /nfs/dbraw/zinc/60/87/30/659608730.db2.gz DMNYFFOLCRTYGZ-CABCVRRESA-N 1 3 318.421 0.732 20 0 DCADHO COc1ccc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001019771774 659609558 /nfs/dbraw/zinc/60/95/58/659609558.db2.gz ZKGCNFPDLMRFSW-GJZGRUSLSA-N 1 3 318.421 0.732 20 0 DCADHO COc1ccc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001019771774 659609561 /nfs/dbraw/zinc/60/95/61/659609561.db2.gz ZKGCNFPDLMRFSW-GJZGRUSLSA-N 1 3 318.421 0.732 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019772838 659611127 /nfs/dbraw/zinc/61/11/27/659611127.db2.gz TZNJTWIDHCDEOX-HIFRSBDPSA-N 1 3 305.426 0.371 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019772838 659611129 /nfs/dbraw/zinc/61/11/29/659611129.db2.gz TZNJTWIDHCDEOX-HIFRSBDPSA-N 1 3 305.426 0.371 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999850735 665692078 /nfs/dbraw/zinc/69/20/78/665692078.db2.gz GMPNDLTUZPRBDE-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999850735 665692079 /nfs/dbraw/zinc/69/20/79/665692079.db2.gz GMPNDLTUZPRBDE-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO COc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)n1 ZINC001020025144 659658058 /nfs/dbraw/zinc/65/80/58/659658058.db2.gz CEWPYXDXYWHDSC-KKUMJFAQSA-N 1 3 318.421 0.921 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001027063112 659758233 /nfs/dbraw/zinc/75/82/33/659758233.db2.gz HRJIIJUQBVVUHE-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001027063798 659760416 /nfs/dbraw/zinc/76/04/16/659760416.db2.gz SESKUNFWHAOTQJ-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3nncn3C)C2)C1 ZINC001027065033 659762000 /nfs/dbraw/zinc/76/20/00/659762000.db2.gz PDIMNYWJYFANCW-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3nncn3C)C2)C1 ZINC001027065033 659762005 /nfs/dbraw/zinc/76/20/05/659762005.db2.gz PDIMNYWJYFANCW-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cncn3C)C2)C1 ZINC001027064790 659762316 /nfs/dbraw/zinc/76/23/16/659762316.db2.gz KNCGEMANJBOZQK-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccnn3C)C2)C1 ZINC001027064547 659762457 /nfs/dbraw/zinc/76/24/57/659762457.db2.gz GSPZDDQWXKXEFZ-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCCCN3C)C2)C1 ZINC000999877708 665705829 /nfs/dbraw/zinc/70/58/29/665705829.db2.gz PMWORBPTOJILGF-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCCCN3C)C2)C1 ZINC000999877708 665705830 /nfs/dbraw/zinc/70/58/30/665705830.db2.gz PMWORBPTOJILGF-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2C[C@H]1CCCOC1)C12CC[NH+](CC1)C2 ZINC001032733559 665751604 /nfs/dbraw/zinc/75/16/04/665751604.db2.gz AEVFROQXXMKGEY-PMPSAXMXSA-N 1 3 319.449 0.794 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001000184313 665766315 /nfs/dbraw/zinc/76/63/15/665766315.db2.gz MVHAJUYYOKDQMU-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2CCn2cccn2)C1 ZINC001028316425 661456124 /nfs/dbraw/zinc/45/61/24/661456124.db2.gz PMKRPEIQJBXKHD-LSDHHAIUSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2CCn2cccn2)C1 ZINC001028316425 661456126 /nfs/dbraw/zinc/45/61/26/661456126.db2.gz PMKRPEIQJBXKHD-LSDHHAIUSA-N 1 3 305.426 0.415 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001000197586 665772300 /nfs/dbraw/zinc/77/23/00/665772300.db2.gz ITDKXGXANJYCBF-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000209889 665782067 /nfs/dbraw/zinc/78/20/67/665782067.db2.gz PQPCXFWKDPKLMD-XJKSGUPXSA-N 1 3 315.433 0.772 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029345290 662111896 /nfs/dbraw/zinc/11/18/96/662111896.db2.gz QQXJBBCAUHZSPE-HRCADAONSA-N 1 3 309.454 0.918 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029345290 662111897 /nfs/dbraw/zinc/11/18/97/662111897.db2.gz QQXJBBCAUHZSPE-HRCADAONSA-N 1 3 309.454 0.918 20 0 DCADHO CN1CC[C@@H]1CNC(=O)C(C)(C)CCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928561438 662128118 /nfs/dbraw/zinc/12/81/18/662128118.db2.gz BDSAIQJHZDCYAW-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@@H]1CNC(=O)C(C)(C)CCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928561438 662128120 /nfs/dbraw/zinc/12/81/20/662128120.db2.gz BDSAIQJHZDCYAW-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cncn3C)C2)C1 ZINC000984804583 662316965 /nfs/dbraw/zinc/31/69/65/662316965.db2.gz PJQFQNYISGLGEW-KKUMJFAQSA-N 1 3 319.453 0.746 20 0 DCADHO O=C(NC[C@@H]1CCN1C[C@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001038454644 662349641 /nfs/dbraw/zinc/34/96/41/662349641.db2.gz NNAMJMPGPIZFSA-CABCVRRESA-N 1 3 307.438 0.842 20 0 DCADHO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985332716 662412943 /nfs/dbraw/zinc/41/29/43/662412943.db2.gz RWQAORMOTMQRCZ-LSDHHAIUSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985332716 662412944 /nfs/dbraw/zinc/41/29/44/662412944.db2.gz RWQAORMOTMQRCZ-LSDHHAIUSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985752672 662508789 /nfs/dbraw/zinc/50/87/89/662508789.db2.gz ZENSSVRYMKXKLB-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985752672 662508791 /nfs/dbraw/zinc/50/87/91/662508791.db2.gz ZENSSVRYMKXKLB-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO O=C1[C@@H](N2CCC3(CC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000431021056 662519088 /nfs/dbraw/zinc/51/90/88/662519088.db2.gz AFEJVXDXMPBJKX-HNNXBMFYSA-N 1 3 307.438 0.842 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987058880 662638762 /nfs/dbraw/zinc/63/87/62/662638762.db2.gz NPZWOCYJKUQVKH-GXTWGEPZSA-N 1 3 302.382 0.428 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001030019501 662887267 /nfs/dbraw/zinc/88/72/67/662887267.db2.gz BPGRLOAGHAGOCK-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729602219 662904691 /nfs/dbraw/zinc/90/46/91/662904691.db2.gz JQOSWYUNVKXICR-ZNMIVQPWSA-N 1 3 312.458 0.879 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729608695 662905321 /nfs/dbraw/zinc/90/53/21/662905321.db2.gz QSVWEXISNQNLOI-HZPDHXFCSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000989664612 662969807 /nfs/dbraw/zinc/96/98/07/662969807.db2.gz KEOQLDDAJKHRKZ-WFASDCNBSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cncn2C)CN1C(=O)CN1CCCC1 ZINC000989800968 662978263 /nfs/dbraw/zinc/97/82/63/662978263.db2.gz WIPJOOWPVQWWNA-UONOGXRCSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCn2cccn2)CN1C(=O)CN1CCCC1 ZINC000989796163 662979807 /nfs/dbraw/zinc/97/98/07/662979807.db2.gz ICQXHYYGMNZUKO-GJZGRUSLSA-N 1 3 305.426 0.558 20 0 DCADHO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC(N2CCOCC2)CC1 ZINC000898798445 663108158 /nfs/dbraw/zinc/10/81/58/663108158.db2.gz FMIOEQUQZBJZBL-INIZCTEOSA-N 1 3 323.437 0.030 20 0 DCADHO CN1CCN(C)CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000899652416 663160533 /nfs/dbraw/zinc/16/05/33/663160533.db2.gz DPANKXBUBZKMJR-UHFFFAOYSA-N 1 3 313.515 0.134 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000900439471 663244100 /nfs/dbraw/zinc/24/41/00/663244100.db2.gz HPIFURQLCQEZRX-ZIAGYGMSSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900439471 663244102 /nfs/dbraw/zinc/24/41/02/663244102.db2.gz HPIFURQLCQEZRX-ZIAGYGMSSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900439471 663244103 /nfs/dbraw/zinc/24/41/03/663244103.db2.gz HPIFURQLCQEZRX-ZIAGYGMSSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCN1CCC(C)(C)C1 ZINC000903559307 663463931 /nfs/dbraw/zinc/46/39/31/663463931.db2.gz JXBKCRPTCVEABJ-UHFFFAOYSA-N 1 3 318.487 0.237 20 0 DCADHO Cc1c(C[C@@H](CN)C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cnn1C ZINC000903929473 663496357 /nfs/dbraw/zinc/49/63/57/663496357.db2.gz GIFLSMALOGZHQV-HOCLYGCPSA-N 1 3 321.469 0.835 20 0 DCADHO Cc1c(C[C@@H](CN)C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cnn1C ZINC000903929473 663496358 /nfs/dbraw/zinc/49/63/58/663496358.db2.gz GIFLSMALOGZHQV-HOCLYGCPSA-N 1 3 321.469 0.835 20 0 DCADHO C[C@]1(CN2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]C1 ZINC000904316380 663508060 /nfs/dbraw/zinc/50/80/60/663508060.db2.gz NJMCYUXDBAKESF-KRWDZBQOSA-N 1 3 308.470 0.616 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000904981855 663521744 /nfs/dbraw/zinc/52/17/44/663521744.db2.gz PSHWRGPMDYTUMM-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C1(O)CCCC1 ZINC000905127645 663534162 /nfs/dbraw/zinc/53/41/62/663534162.db2.gz MGCPPJRWYDATNV-HOCLYGCPSA-N 1 3 312.454 0.743 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCCC1 ZINC001001008369 665974492 /nfs/dbraw/zinc/97/44/92/665974492.db2.gz PCGLFYCDZZLWDE-HOCLYGCPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040395787 663554966 /nfs/dbraw/zinc/55/49/66/663554966.db2.gz QRZTWDFGKZEXKV-DOTOQJQBSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040395787 663554967 /nfs/dbraw/zinc/55/49/67/663554967.db2.gz QRZTWDFGKZEXKV-DOTOQJQBSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906656162 663627526 /nfs/dbraw/zinc/62/75/26/663627526.db2.gz QSEIVBLXMILSEN-LBPRGKRZSA-N 1 3 304.394 0.684 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000908526390 663759077 /nfs/dbraw/zinc/75/90/77/663759077.db2.gz KTPQBJAAZSUTEG-CQSZACIVSA-N 1 3 323.441 0.021 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000908526390 663759078 /nfs/dbraw/zinc/75/90/78/663759078.db2.gz KTPQBJAAZSUTEG-CQSZACIVSA-N 1 3 323.441 0.021 20 0 DCADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000908602343 663763612 /nfs/dbraw/zinc/76/36/12/663763612.db2.gz NAQVDZALHGCUQT-HNNXBMFYSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)N1CCCCC1 ZINC000910954510 663958227 /nfs/dbraw/zinc/95/82/27/663958227.db2.gz AIJHBPJCVZIOCG-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911054368 663973127 /nfs/dbraw/zinc/97/31/27/663973127.db2.gz GNQOSBMOOAHBAM-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911056036 663973565 /nfs/dbraw/zinc/97/35/65/663973565.db2.gz SPEXVUCMCXKHIQ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000911160353 663994955 /nfs/dbraw/zinc/99/49/55/663994955.db2.gz BQYICMKFMBBWID-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911209027 664005448 /nfs/dbraw/zinc/00/54/48/664005448.db2.gz KXTJHRCAZMTBIT-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000911275753 664014940 /nfs/dbraw/zinc/01/49/40/664014940.db2.gz OPPRSEVUTXEZBM-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[NH2+]1 ZINC000911306007 664023858 /nfs/dbraw/zinc/02/38/58/664023858.db2.gz FMAACDPEIJLRBL-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000911529277 664068561 /nfs/dbraw/zinc/06/85/61/664068561.db2.gz BZCZYDQIBUAGOY-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@H]1C[NH3+] ZINC000911532461 664070067 /nfs/dbraw/zinc/07/00/67/664070067.db2.gz LSLFUIRXUZVOOO-KBPBESRZSA-N 1 3 324.469 0.278 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000911534629 664071251 /nfs/dbraw/zinc/07/12/51/664071251.db2.gz VRALQGKQKJDLIW-MRXNPFEDSA-N 1 3 310.442 0.032 20 0 DCADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000911560622 664079687 /nfs/dbraw/zinc/07/96/87/664079687.db2.gz PDRBPEVZVBNRCC-HDJSIYSDSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC000992090077 664660239 /nfs/dbraw/zinc/66/02/39/664660239.db2.gz JTBUIYSRTQFZAP-TZMCWYRMSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC000992090077 664660241 /nfs/dbraw/zinc/66/02/41/664660241.db2.gz JTBUIYSRTQFZAP-TZMCWYRMSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000992090831 664660399 /nfs/dbraw/zinc/66/03/99/664660399.db2.gz VAENJVSCUFVXLD-BPLDGKMQSA-N 1 3 324.469 0.240 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000992090831 664660400 /nfs/dbraw/zinc/66/04/00/664660400.db2.gz VAENJVSCUFVXLD-BPLDGKMQSA-N 1 3 324.469 0.240 20 0 DCADHO CCO[C@H](CNC(=O)NCCN1CCCCC1)C[NH+](C)C ZINC000913953584 664738550 /nfs/dbraw/zinc/73/85/50/664738550.db2.gz ZRFUWILGXWPDIZ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@@H](CNS(=O)(=O)C[C@@]12CCN(C1)CCC2)C[NH+](C)C ZINC000915823221 664949118 /nfs/dbraw/zinc/94/91/18/664949118.db2.gz WKWUWVWQGRCTNC-KBPBESRZSA-N 1 3 303.472 0.589 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001031681228 665286537 /nfs/dbraw/zinc/28/65/37/665286537.db2.gz JNEIPFGGCDRMFF-VNQPRFMTSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)CC[N@H+]1C ZINC001031681228 665286538 /nfs/dbraw/zinc/28/65/38/665286538.db2.gz JNEIPFGGCDRMFF-VNQPRFMTSA-N 1 3 309.454 0.944 20 0 DCADHO CN(CC(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC000997830256 665352126 /nfs/dbraw/zinc/35/21/26/665352126.db2.gz GIKROZBOIPVACY-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000998080507 665396935 /nfs/dbraw/zinc/39/69/35/665396935.db2.gz BTBGOBGFCKPGOB-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000941669296 666041670 /nfs/dbraw/zinc/04/16/70/666041670.db2.gz YAIYYIJGXMAPPH-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001370942 666043322 /nfs/dbraw/zinc/04/33/22/666043322.db2.gz LHQWSPSJLBVIDI-CVEARBPZSA-N 1 3 309.454 0.847 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002125400 666134898 /nfs/dbraw/zinc/13/48/98/666134898.db2.gz JXVTZBNFEIFCEC-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002125400 666134899 /nfs/dbraw/zinc/13/48/99/666134899.db2.gz JXVTZBNFEIFCEC-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CO[C@H](C)CN1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032044626 666212326 /nfs/dbraw/zinc/21/23/26/666212326.db2.gz VRKSYNVQAFMUBW-CYBMUJFWSA-N 1 3 323.441 0.141 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003332437 666295722 /nfs/dbraw/zinc/29/57/22/666295722.db2.gz LXUDPZRVCXTINE-GULBITTBSA-N 1 3 307.438 0.839 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003971955 666418663 /nfs/dbraw/zinc/41/86/63/666418663.db2.gz SJCUMKAJHAMDCK-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003971955 666418665 /nfs/dbraw/zinc/41/86/65/666418665.db2.gz SJCUMKAJHAMDCK-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004371225 666525028 /nfs/dbraw/zinc/52/50/28/666525028.db2.gz KTIJJQMOQLSUQV-HOTGVXAUSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004371225 666525029 /nfs/dbraw/zinc/52/50/29/666525029.db2.gz KTIJJQMOQLSUQV-HOTGVXAUSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000945381284 666604799 /nfs/dbraw/zinc/60/47/99/666604799.db2.gz HVCNCMBYNJWHKL-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000945381284 666604801 /nfs/dbraw/zinc/60/48/01/666604801.db2.gz HVCNCMBYNJWHKL-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CCN(CCCO)C1 ZINC001033181996 666608861 /nfs/dbraw/zinc/60/88/61/666608861.db2.gz LHHCJODUNQFMRA-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C)C(N)=O ZINC000995884708 666718928 /nfs/dbraw/zinc/71/89/28/666718928.db2.gz HIOHWMKEZNPZDW-CHWSQXEVSA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC000996666532 666851725 /nfs/dbraw/zinc/85/17/25/666851725.db2.gz SWAKEPVAOYRECM-CQSZACIVSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC000996667163 666852261 /nfs/dbraw/zinc/85/22/61/666852261.db2.gz UJHHCBSHYIATJK-CYBMUJFWSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCn2cccn2)CC1)C1CC1 ZINC000996676325 666857184 /nfs/dbraw/zinc/85/71/84/666857184.db2.gz HBCKPMKMSFCAGD-INIZCTEOSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000861730216 666968150 /nfs/dbraw/zinc/96/81/50/666968150.db2.gz OKUMJPQBTZTODW-ZFWWWQNUSA-N 1 3 320.437 0.081 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000861735522 666968499 /nfs/dbraw/zinc/96/84/99/666968499.db2.gz NOLOIALTSFMKEX-KGLIPLIRSA-N 1 3 320.437 0.429 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC000996993733 667060558 /nfs/dbraw/zinc/06/05/58/667060558.db2.gz DGUJBJFHAKFMRA-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC000997004444 667068454 /nfs/dbraw/zinc/06/84/54/667068454.db2.gz CTUVDJSEJIFVAK-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000997010259 667073143 /nfs/dbraw/zinc/07/31/43/667073143.db2.gz RYBDWSRFYJQYGC-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001034574270 667076371 /nfs/dbraw/zinc/07/63/71/667076371.db2.gz XANLQCHVACVYLX-AWEZNQCLSA-N 1 3 319.409 0.059 20 0 DCADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001034736254 667129523 /nfs/dbraw/zinc/12/95/23/667129523.db2.gz UPAQDDRJGGWNCJ-XUXIUFHCSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCN1C ZINC000925341105 667152663 /nfs/dbraw/zinc/15/26/63/667152663.db2.gz FKFUDJGQMVRONV-ILXRZTDVSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254512 667282224 /nfs/dbraw/zinc/28/22/24/667282224.db2.gz KBEBSJRQGSYSQT-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254512 667282226 /nfs/dbraw/zinc/28/22/26/667282226.db2.gz KBEBSJRQGSYSQT-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)CC[N@@H+]1C ZINC001035778930 667411795 /nfs/dbraw/zinc/41/17/95/667411795.db2.gz MYPGCRCGUCXWSD-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)CC[N@H+]1C ZINC001035778930 667411796 /nfs/dbraw/zinc/41/17/96/667411796.db2.gz MYPGCRCGUCXWSD-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001036192230 667430705 /nfs/dbraw/zinc/43/07/05/667430705.db2.gz HPLBEYAFTWGORU-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867573098 667470297 /nfs/dbraw/zinc/47/02/97/667470297.db2.gz XCSKKPYDMZBCNO-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867573098 667470300 /nfs/dbraw/zinc/47/03/00/667470300.db2.gz XCSKKPYDMZBCNO-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnn1CC[NH+](C)C ZINC000923262712 667487135 /nfs/dbraw/zinc/48/71/35/667487135.db2.gz SSBUJRNGRYVBKD-KGLIPLIRSA-N 1 3 305.426 0.753 20 0 DCADHO O=C(NCCN1CCCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884180258 667491935 /nfs/dbraw/zinc/49/19/35/667491935.db2.gz RIESSZKKYDNCRQ-UHFFFAOYSA-N 1 3 303.410 0.317 20 0 DCADHO Cc1cc(C)cc(OC[C@H](O)CN(C)CCN2CC[NH2+]CC2)c1 ZINC000923285327 667494707 /nfs/dbraw/zinc/49/47/07/667494707.db2.gz GSSWVWVDEUDPBT-QGZVFWFLSA-N 1 3 321.465 0.880 20 0 DCADHO CS(=O)(=O)N1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923300732 667500123 /nfs/dbraw/zinc/50/01/23/667500123.db2.gz KLTGBMIOVNZRRT-GOOCMWNKSA-N 1 3 315.483 0.874 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H](N)CC2CC2)CC1 ZINC000884218509 667502004 /nfs/dbraw/zinc/50/20/04/667502004.db2.gz PWGHGEPSUKXGOH-CQSZACIVSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000884234764 667506102 /nfs/dbraw/zinc/50/61/02/667506102.db2.gz COSAIQICWXVJNO-CABCVRRESA-N 1 3 312.502 0.996 20 0 DCADHO CCOCCN1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1CC ZINC000923323346 667507943 /nfs/dbraw/zinc/50/79/43/667507943.db2.gz SFCXXUZARFOTLN-HOTGVXAUSA-N 1 3 311.470 0.798 20 0 DCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884244841 667508116 /nfs/dbraw/zinc/50/81/16/667508116.db2.gz LWNOHUOTDJASGU-QWHCGFSZSA-N 1 3 303.410 0.314 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884272041 667512192 /nfs/dbraw/zinc/51/21/92/667512192.db2.gz OXUPMYOVZADGKI-QWHCGFSZSA-N 1 3 303.410 0.314 20 0 DCADHO CCOC(=O)N(C)C1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923368866 667517628 /nfs/dbraw/zinc/51/76/28/667517628.db2.gz DBDATEQZACTVNO-AWEZNQCLSA-N 1 3 311.426 0.918 20 0 DCADHO CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000923411010 667529624 /nfs/dbraw/zinc/52/96/24/667529624.db2.gz LXNWKPJCACVBBH-IVMMDQJWSA-N 1 3 321.421 0.911 20 0 DCADHO C[NH2+][C@@H](CC(C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000884405761 667538835 /nfs/dbraw/zinc/53/88/35/667538835.db2.gz CIRVEMWZJQGAEZ-ZDUSSCGKSA-N 1 3 300.447 0.099 20 0 DCADHO O=C(CCN1CCNCC[NH2+]CC1)NCc1ccccc1Cl ZINC000923464394 667539414 /nfs/dbraw/zinc/53/94/14/667539414.db2.gz OCIXGXIALFTQOW-UHFFFAOYSA-N 1 3 324.856 0.841 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868241290 667546624 /nfs/dbraw/zinc/54/66/24/667546624.db2.gz IQCLXHSKCTVMBI-LEWSCRJBSA-N 1 3 304.394 0.506 20 0 DCADHO Cc1cc(=O)n2nc(CN3CC[C@@H](C[NH3+])[C@H](C)C3)sc2n1 ZINC000923497781 667548321 /nfs/dbraw/zinc/54/83/21/667548321.db2.gz DVNPTJZJERTPIT-KOLCDFICSA-N 1 3 307.423 0.876 20 0 DCADHO CO[C@@H](CN)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000884467424 667550458 /nfs/dbraw/zinc/55/04/58/667550458.db2.gz VWBUTRCXNRKZNT-HNNXBMFYSA-N 1 3 305.422 0.740 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884502457 667557665 /nfs/dbraw/zinc/55/76/65/667557665.db2.gz KNJSZQPVOUDIPW-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868407428 667567919 /nfs/dbraw/zinc/56/79/19/667567919.db2.gz VFNFZWWGIFOUNB-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884577393 667569229 /nfs/dbraw/zinc/56/92/29/667569229.db2.gz DVFYHLUXSXHQSJ-GRDNDAEWSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H]1CCCCN1CC)[C@@H]1CC[NH2+]C1 ZINC000884617733 667576823 /nfs/dbraw/zinc/57/68/23/667576823.db2.gz RUJDNIKDSXSMSX-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884716589 667597744 /nfs/dbraw/zinc/59/77/44/667597744.db2.gz CKHISZIDRXXRCR-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884786160 667607213 /nfs/dbraw/zinc/60/72/13/667607213.db2.gz KNRBHLFVZIHRRG-SOUVJXGZSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967284 667628950 /nfs/dbraw/zinc/62/89/50/667628950.db2.gz DSPVRYRMAFCSDK-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967285 667629154 /nfs/dbraw/zinc/62/91/54/667629154.db2.gz DSPVRYRMAFCSDK-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923610793 667656591 /nfs/dbraw/zinc/65/65/91/667656591.db2.gz YAQLXYYAXNUANO-MGPQQGTHSA-N 1 3 301.456 0.627 20 0 DCADHO CC[C@@H]1CCCCN1CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923611908 667664133 /nfs/dbraw/zinc/66/41/33/667664133.db2.gz YYJSBZQESMGWNE-ZIAGYGMSSA-N 1 3 303.472 0.922 20 0 DCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1C[NH+](C)C ZINC000870021277 667699035 /nfs/dbraw/zinc/69/90/35/667699035.db2.gz DIUPNGIRNNRHNV-CHWSQXEVSA-N 1 3 321.421 0.909 20 0 DCADHO CC(C)[C@@H](CNC(=O)CC[NH2+]CC1CC1)N1CCN(C)CC1 ZINC000870896886 667771264 /nfs/dbraw/zinc/77/12/64/667771264.db2.gz SMJFEASUHJJNCF-MRXNPFEDSA-N 1 3 310.486 0.764 20 0 DCADHO CN1CCCC[C@@H]1CC[NH+]1CCC(O)(COCCO)CC1 ZINC000886739066 667794263 /nfs/dbraw/zinc/79/42/63/667794263.db2.gz NYRYIHLEIRRKSB-OAHLLOKOSA-N 1 3 300.443 0.697 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000872189559 667872348 /nfs/dbraw/zinc/87/23/48/667872348.db2.gz IARMBELPYRXQJV-OAHLLOKOSA-N 1 3 324.469 0.661 20 0 DCADHO CC(C)(O)C[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000872202732 667876338 /nfs/dbraw/zinc/87/63/38/667876338.db2.gz JISYGYPBVJBSAN-SOUVJXGZSA-N 1 3 300.443 0.476 20 0 DCADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889756448 667991520 /nfs/dbraw/zinc/99/15/20/667991520.db2.gz MZDWEURVFYQRSU-IAGOWNOFSA-N 1 3 321.465 0.918 20 0 DCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246966 668068509 /nfs/dbraw/zinc/06/85/09/668068509.db2.gz FOAJQSHSLUCMIB-WBMJQRKESA-N 1 3 300.410 0.766 20 0 DCADHO C[C@H]1NCCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000925535077 668327316 /nfs/dbraw/zinc/32/73/16/668327316.db2.gz BMVQNHJTGDTZMV-HZPDHXFCSA-N 1 3 318.469 0.719 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000925535077 668327322 /nfs/dbraw/zinc/32/73/22/668327322.db2.gz BMVQNHJTGDTZMV-HZPDHXFCSA-N 1 3 318.469 0.719 20 0 DCADHO Cn1nccc1[C@H]1[C@H](CN[C@@H]2C[NH2+]CCOC2)CCCN1C ZINC000925666454 668339892 /nfs/dbraw/zinc/33/98/92/668339892.db2.gz TVYJAMMPDBVQTN-SQWLQELKSA-N 1 3 307.442 0.381 20 0 DCADHO NCc1cn(-c2cccc(CN[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)c2)nn1 ZINC000925721809 668342910 /nfs/dbraw/zinc/34/29/10/668342910.db2.gz GQRHSZAMZYMAFD-KISNFGTJSA-N 1 3 324.432 0.812 20 0 DCADHO CN(C)C1(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CCC1 ZINC000763023935 668391561 /nfs/dbraw/zinc/39/15/61/668391561.db2.gz CAFYIJFEBWYPFK-UHFFFAOYSA-N 1 3 308.470 0.711 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876513589 668459552 /nfs/dbraw/zinc/45/95/52/668459552.db2.gz GDOCELXUMSADRW-HOTGVXAUSA-N 1 3 304.438 0.643 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000927648968 668492049 /nfs/dbraw/zinc/49/20/49/668492049.db2.gz UKOKGKOWCQKTHU-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000876752651 668501912 /nfs/dbraw/zinc/50/19/12/668501912.db2.gz VUBKMCYDPVVGRG-CVEARBPZSA-N 1 3 310.486 0.990 20 0 DCADHO C[C@H](CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000876782399 668510413 /nfs/dbraw/zinc/51/04/13/668510413.db2.gz PYUPWSOOYMRBTM-OKQSBHACSA-N 1 3 308.470 0.542 20 0 DCADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CN(C)C ZINC000876878497 668526095 /nfs/dbraw/zinc/52/60/95/668526095.db2.gz DUSWXDBYOHUFBR-INIZCTEOSA-N 1 3 306.454 0.986 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000876923242 668536598 /nfs/dbraw/zinc/53/65/98/668536598.db2.gz BQOMCMOFAQJVJL-GXTWGEPZSA-N 1 3 317.368 0.585 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876973094 668545338 /nfs/dbraw/zinc/54/53/38/668545338.db2.gz AQHIITRJJCADLE-INMHGKMJSA-N 1 3 307.438 0.888 20 0 DCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000876977859 668546641 /nfs/dbraw/zinc/54/66/41/668546641.db2.gz BFALDTAXLFYEQW-YNEHKIRRSA-N 1 3 309.389 0.627 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1=O ZINC000877152735 668568405 /nfs/dbraw/zinc/56/84/05/668568405.db2.gz CFFTVEQEQKBMGA-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)C[NH2+]CC3CC3)c2)nn1 ZINC000877208072 668577144 /nfs/dbraw/zinc/57/71/44/668577144.db2.gz RPXXDOFYQLCVIA-UHFFFAOYSA-N 1 3 314.393 0.342 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877271656 668588940 /nfs/dbraw/zinc/58/89/40/668588940.db2.gz DIXBTHPEJNHRCK-BBWFWOEESA-N 1 3 316.449 0.799 20 0 DCADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343712 668605397 /nfs/dbraw/zinc/60/53/97/668605397.db2.gz QYHAOTNUPIJGIT-LSDHHAIUSA-N 1 3 305.447 0.912 20 0 DCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877451276 668619798 /nfs/dbraw/zinc/61/97/98/668619798.db2.gz NBOCWOVTPONYGB-CABCVRRESA-N 1 3 317.437 0.657 20 0 DCADHO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930137296 668966494 /nfs/dbraw/zinc/96/64/94/668966494.db2.gz RFJOXAVPAPHBAL-SFFUCWETSA-N 1 3 323.481 0.748 20 0 DCADHO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930137297 668967059 /nfs/dbraw/zinc/96/70/59/668967059.db2.gz RFJOXAVPAPHBAL-UYTYNIKBSA-N 1 3 323.481 0.748 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CCN[C@@H](c2ccc(OC)cc2)C1 ZINC000879523636 669053253 /nfs/dbraw/zinc/05/32/53/669053253.db2.gz LWKPNUGUJGVZNK-NVXWUHKLSA-N 1 3 307.438 0.954 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CCN[C@@H](c2ccc(OC)cc2)C1 ZINC000879523636 669053260 /nfs/dbraw/zinc/05/32/60/669053260.db2.gz LWKPNUGUJGVZNK-NVXWUHKLSA-N 1 3 307.438 0.954 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@H](CO)CN2CCCCC2)CC1 ZINC000935915066 669797998 /nfs/dbraw/zinc/79/79/98/669797998.db2.gz MUKGDHRUOAJVDT-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000950824909 670134070 /nfs/dbraw/zinc/13/40/70/670134070.db2.gz PCTDKIIEGSGBSS-AWEZNQCLSA-N 1 3 319.409 0.011 20 0 DCADHO CC[C@H](C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1)N(C)C ZINC000949123939 670265541 /nfs/dbraw/zinc/26/55/41/670265541.db2.gz LPRZSAGEVGTUKN-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1cnn(C)c1 ZINC000855346049 670701178 /nfs/dbraw/zinc/70/11/78/670701178.db2.gz MPCGZGKNWFELHD-NPQIQWPPSA-N 1 3 307.442 0.822 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1cnn(C)c1 ZINC000855346049 670701182 /nfs/dbraw/zinc/70/11/82/670701182.db2.gz MPCGZGKNWFELHD-NPQIQWPPSA-N 1 3 307.442 0.822 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCS(C)(=O)=O ZINC000849044577 670755369 /nfs/dbraw/zinc/75/53/69/670755369.db2.gz XWGXZMKICXTOSM-GFCCVEGCSA-N 1 3 304.460 0.409 20 0 DCADHO COc1ccc(CNC(=[NH2+])NC[C@]2(O)CCN(C)C2)cc1OC ZINC000849085493 670757530 /nfs/dbraw/zinc/75/75/30/670757530.db2.gz OPBMUFTZUCZFDW-MRXNPFEDSA-N 1 3 322.409 0.384 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NC[C@@H]1CCCO1 ZINC000849275502 670772979 /nfs/dbraw/zinc/77/29/79/670772979.db2.gz RPQVICHNDWXOOT-KBPBESRZSA-N 1 3 316.515 0.902 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NC[C@@H]1CCCO1 ZINC000849275502 670772983 /nfs/dbraw/zinc/77/29/83/670772983.db2.gz RPQVICHNDWXOOT-KBPBESRZSA-N 1 3 316.515 0.902 20 0 DCADHO COc1cnccc1N1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857107668 670884483 /nfs/dbraw/zinc/88/44/83/670884483.db2.gz DCCOENBUQSHEQC-LBPRGKRZSA-N 1 3 307.398 0.659 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858449252 671005631 /nfs/dbraw/zinc/00/56/31/671005631.db2.gz XJYFXSHUKREWRS-HNNXBMFYSA-N 1 3 304.394 0.317 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCCC1 ZINC000820075443 671162926 /nfs/dbraw/zinc/16/29/26/671162926.db2.gz XNMIMAJYCBYWPV-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCCC1 ZINC000820075443 671162930 /nfs/dbraw/zinc/16/29/30/671162930.db2.gz XNMIMAJYCBYWPV-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000852860678 671177358 /nfs/dbraw/zinc/17/73/58/671177358.db2.gz IFPYVBZFIUDBSS-DZGCQCFKSA-N 1 3 304.394 0.818 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cnn3c2CCC3)CC1 ZINC000824639820 671435151 /nfs/dbraw/zinc/43/51/51/671435151.db2.gz QAMVBDPVDOTCHH-UHFFFAOYSA-N 1 3 319.453 0.719 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000827430811 671527384 /nfs/dbraw/zinc/52/73/84/671527384.db2.gz VKFHBEUKFLMPIF-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000827430811 671527386 /nfs/dbraw/zinc/52/73/86/671527386.db2.gz VKFHBEUKFLMPIF-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CN1CCN(CCNC(=O)NCCCCCC[NH3+])CC1(C)C ZINC000831161246 671656578 /nfs/dbraw/zinc/65/65/78/671656578.db2.gz UTFWLSWOGIVQGC-UHFFFAOYSA-N 1 3 313.490 0.831 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831180424 671657562 /nfs/dbraw/zinc/65/75/62/671657562.db2.gz OIRQUNBYSSIQFU-BFHYXJOUSA-N 1 3 308.426 0.291 20 0 DCADHO Cc1cc([C@H](N)CC(=O)N2CCO[C@@H](C[NH3+])C2)cc(Cl)n1 ZINC000834528382 671769555 /nfs/dbraw/zinc/76/95/55/671769555.db2.gz DUOWBLWIMVUXRU-NWDGAFQWSA-N 1 3 312.801 0.619 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@H]21 ZINC000841790790 671955392 /nfs/dbraw/zinc/95/53/92/671955392.db2.gz KBMHQNYFIYLSDY-YIDVYQOGSA-N 1 3 322.453 0.618 20 0 DCADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000841791269 671956397 /nfs/dbraw/zinc/95/63/97/671956397.db2.gz RGXYIIFWTXZEEY-APIJFGDWSA-N 1 3 310.442 0.476 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N1CCCCC1 ZINC000842014220 671973851 /nfs/dbraw/zinc/97/38/51/671973851.db2.gz ACEFMNOZRLPRFB-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCCCC1 ZINC000842016018 671974769 /nfs/dbraw/zinc/97/47/69/671974769.db2.gz QNUIWBCLIMPVCE-PBHICJAKSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CCCCC1 ZINC000842016391 671974786 /nfs/dbraw/zinc/97/47/86/671974786.db2.gz VAAPUBQIHFOERF-RDBSUJKOSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000842016828 671975066 /nfs/dbraw/zinc/97/50/66/671975066.db2.gz YPIZUFROOSZTJB-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842097848 671982287 /nfs/dbraw/zinc/98/22/87/671982287.db2.gz OGKZKSUSCUWLGO-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000842173502 671989086 /nfs/dbraw/zinc/98/90/86/671989086.db2.gz SRUMRWHFCLPMTH-QGZVFWFLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCCCCC[NH3+])C1=CCN(C)CC1 ZINC000843259234 672075820 /nfs/dbraw/zinc/07/58/20/672075820.db2.gz LVZUUUZZASQUKJ-ZDUSSCGKSA-N 1 3 310.442 0.388 20 0 DCADHO O=C(CNC[C@H]1CCCO1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843454243 672098058 /nfs/dbraw/zinc/09/80/58/672098058.db2.gz OYVOEUHGZBQBCG-CQSZACIVSA-N 1 3 307.398 0.515 20 0 DCADHO [NH3+]CCC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000846148331 672297597 /nfs/dbraw/zinc/29/75/97/672297597.db2.gz ZQUMPKXHFGTKLI-HUUCEWRRSA-N 1 3 310.442 0.620 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000953904593 685895123 /nfs/dbraw/zinc/89/51/23/685895123.db2.gz GCXZGFDVJHSXPT-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000953904593 685895128 /nfs/dbraw/zinc/89/51/28/685895128.db2.gz GCXZGFDVJHSXPT-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000955337116 686366916 /nfs/dbraw/zinc/36/69/16/686366916.db2.gz FJTDFZNPUDZEEJ-ZFWWWQNUSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000955337116 686366925 /nfs/dbraw/zinc/36/69/25/686366925.db2.gz FJTDFZNPUDZEEJ-ZFWWWQNUSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC000960089107 688296853 /nfs/dbraw/zinc/29/68/53/688296853.db2.gz CBEMJYFKQQGURP-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CC[N@@H+](CCO)C2)C1 ZINC000961232287 688577382 /nfs/dbraw/zinc/57/73/82/688577382.db2.gz PIMZHJOLKCYAAE-KGLIPLIRSA-N 1 3 306.410 0.505 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CC[N@H+](CCO)C2)C1 ZINC000961232287 688577385 /nfs/dbraw/zinc/57/73/85/688577385.db2.gz PIMZHJOLKCYAAE-KGLIPLIRSA-N 1 3 306.410 0.505 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC000961775584 688729746 /nfs/dbraw/zinc/72/97/46/688729746.db2.gz VFLXXYQIICXKOD-AIANPOQGSA-N 1 3 317.437 0.414 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC000961775584 688729748 /nfs/dbraw/zinc/72/97/48/688729748.db2.gz VFLXXYQIICXKOD-AIANPOQGSA-N 1 3 317.437 0.414 20 0 DCADHO Cc1nnsc1CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962705731 688968842 /nfs/dbraw/zinc/96/88/42/688968842.db2.gz ZGKNQTAJVCEDLU-OTTFEQOBSA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000962705731 688968845 /nfs/dbraw/zinc/96/88/45/688968845.db2.gz ZGKNQTAJVCEDLU-OTTFEQOBSA-N 1 3 323.466 0.783 20 0 DCADHO CCn1ccnc1CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000962707391 688969211 /nfs/dbraw/zinc/96/92/11/688969211.db2.gz FULFGVGIQNEDKY-SHARSMKWSA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccnc1CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962707391 688969214 /nfs/dbraw/zinc/96/92/14/688969214.db2.gz FULFGVGIQNEDKY-SHARSMKWSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160735 694315199 /nfs/dbraw/zinc/31/51/99/694315199.db2.gz DNUGEWZSWRKTOC-ZFWWWQNUSA-N 1 3 320.437 0.894 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160735 694315204 /nfs/dbraw/zinc/31/52/04/694315204.db2.gz DNUGEWZSWRKTOC-ZFWWWQNUSA-N 1 3 320.437 0.894 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001039161992 694315523 /nfs/dbraw/zinc/31/55/23/694315523.db2.gz QHMOAGZXZDTVKA-HNNXBMFYSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001039161992 694315526 /nfs/dbraw/zinc/31/55/26/694315526.db2.gz QHMOAGZXZDTVKA-HNNXBMFYSA-N 1 3 320.437 0.895 20 0 DCADHO C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001039321523 694338690 /nfs/dbraw/zinc/33/86/90/694338690.db2.gz CPFHREQBWZJGCX-WZYMTQMTSA-N 1 3 309.454 0.965 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000968850974 690405793 /nfs/dbraw/zinc/40/57/93/690405793.db2.gz IVFJKGQBHSXRRW-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000968850974 690405796 /nfs/dbraw/zinc/40/57/96/690405796.db2.gz IVFJKGQBHSXRRW-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1)C1CC1 ZINC000968912199 690422436 /nfs/dbraw/zinc/42/24/36/690422436.db2.gz CBDSKHIBIYCZTM-ZBFHGGJFSA-N 1 3 319.453 0.493 20 0 DCADHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001018628101 693168127 /nfs/dbraw/zinc/16/81/27/693168127.db2.gz JTMHYDSKSPPOBR-LSDHHAIUSA-N 1 3 318.421 0.875 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018990570 693310642 /nfs/dbraw/zinc/31/06/42/693310642.db2.gz LXZPKKFFNAAPFW-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018990570 693310646 /nfs/dbraw/zinc/31/06/46/693310646.db2.gz LXZPKKFFNAAPFW-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001019241513 693404657 /nfs/dbraw/zinc/40/46/57/693404657.db2.gz DBYCZWPHIMVQGC-SOUVJXGZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001019289961 693422148 /nfs/dbraw/zinc/42/21/48/693422148.db2.gz LHLMMFZOJYUVDQ-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001019289961 693422149 /nfs/dbraw/zinc/42/21/49/693422149.db2.gz LHLMMFZOJYUVDQ-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3cnn(C)c3)C2)C1 ZINC001019383062 693456581 /nfs/dbraw/zinc/45/65/81/693456581.db2.gz UNAXFFJBZPHVMS-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3cnn(C)c3)C2)C1 ZINC001019383062 693456584 /nfs/dbraw/zinc/45/65/84/693456584.db2.gz UNAXFFJBZPHVMS-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001019652689 693554709 /nfs/dbraw/zinc/55/47/09/693554709.db2.gz SHBMHXYJBNGCPG-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019652689 693554713 /nfs/dbraw/zinc/55/47/13/693554713.db2.gz SHBMHXYJBNGCPG-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001020171978 693721094 /nfs/dbraw/zinc/72/10/94/693721094.db2.gz HAVDAVJEJWEWTP-RAEVTNRLSA-N 1 3 317.437 0.862 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001020171978 693721096 /nfs/dbraw/zinc/72/10/96/693721096.db2.gz HAVDAVJEJWEWTP-RAEVTNRLSA-N 1 3 317.437 0.862 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072678845 694651608 /nfs/dbraw/zinc/65/16/08/694651608.db2.gz AEIBUHSIUJUCTJ-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CCN1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603694 694750169 /nfs/dbraw/zinc/75/01/69/694750169.db2.gz MLRHKDZDDOCVDH-CQSZACIVSA-N 1 3 323.441 0.285 20 0 DCADHO C[C@H](C(=O)N1CC[C@H]2CN(CCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001076323852 695014170 /nfs/dbraw/zinc/01/41/70/695014170.db2.gz HVOWUXSYGINDCT-OWCLPIDISA-N 1 3 309.454 0.776 20 0 DCADHO CCOCC[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001570415415 1162508936 /nfs/dbraw/zinc/50/89/36/1162508936.db2.gz VTGYWBPZCWWTCP-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001700160218 1157591408 /nfs/dbraw/zinc/59/14/08/1157591408.db2.gz ADPMOIITXATOFN-IBPBTGAJSA-N 1 3 303.834 0.896 20 0 DCADHO CC(C)N1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001752344005 1157915048 /nfs/dbraw/zinc/91/50/48/1157915048.db2.gz MWQDYAOENHWGBY-HZPDHXFCSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)N1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001752344005 1157915051 /nfs/dbraw/zinc/91/50/51/1157915051.db2.gz MWQDYAOENHWGBY-HZPDHXFCSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH2+][C@@H]1CCCNC1=O ZINC001755526493 1158162380 /nfs/dbraw/zinc/16/23/80/1158162380.db2.gz JDQCEILCGULHKN-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO [NH3+]CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC(O)C1 ZINC001648961502 1158188440 /nfs/dbraw/zinc/18/84/40/1158188440.db2.gz CKWMVHIZCWVXPF-HPUBIQBYSA-N 1 3 303.406 0.477 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001720316631 1159007398 /nfs/dbraw/zinc/00/73/98/1159007398.db2.gz HUQNRLLRQIRATA-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001446490761 1159432310 /nfs/dbraw/zinc/43/23/10/1159432310.db2.gz PYCQVJIRKOODBE-CQSZACIVSA-N 1 3 322.453 0.365 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001446775287 1159529734 /nfs/dbraw/zinc/52/97/34/1159529734.db2.gz WBOHNIAZGFFLID-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001447306242 1159614923 /nfs/dbraw/zinc/61/49/23/1159614923.db2.gz LXCZXAGFOQHDHM-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001447553001 1159658180 /nfs/dbraw/zinc/65/81/80/1159658180.db2.gz WCHVGJNXEWOAIV-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@H]2CCNC(=O)CC2)CCC1 ZINC001567507932 1160401442 /nfs/dbraw/zinc/40/14/42/1160401442.db2.gz MXJYRZJKYBFBMB-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568928733 1160874230 /nfs/dbraw/zinc/87/42/30/1160874230.db2.gz RFPZITITPGAYFU-KXLSMFKISA-N 1 3 324.469 0.647 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCCO)CCOCC1)N(C)C ZINC001569732409 1161210653 /nfs/dbraw/zinc/21/06/53/1161210653.db2.gz IRMYXVWYWMLICY-CQSZACIVSA-N 1 3 315.458 0.210 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC001575141672 1163915944 /nfs/dbraw/zinc/91/59/44/1163915944.db2.gz XTZXAMIVNBQVJT-WFASDCNBSA-N 1 3 301.406 0.775 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC001575962308 1164194501 /nfs/dbraw/zinc/19/45/01/1164194501.db2.gz OUSTUCULTXFNKA-BFYDXBDKSA-N 1 3 308.470 0.518 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001576607553 1164410281 /nfs/dbraw/zinc/41/02/81/1164410281.db2.gz YXTXTHAUFZWRSD-UMVBOHGHSA-N 1 3 310.442 0.761 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNCc2c[nH]nn2)C1 ZINC001576877351 1164511725 /nfs/dbraw/zinc/51/17/25/1164511725.db2.gz UVUAODYCASLHRQ-DZGCQCFKSA-N 1 3 320.441 0.617 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNCc2c[nH]nn2)C1 ZINC001576877351 1164511729 /nfs/dbraw/zinc/51/17/29/1164511729.db2.gz UVUAODYCASLHRQ-DZGCQCFKSA-N 1 3 320.441 0.617 20 0 DCADHO CCc1nnc(N2CC[C@H](C[NH3+])C2)n1CCN(C)CCOC ZINC001578312577 1164972851 /nfs/dbraw/zinc/97/28/51/1164972851.db2.gz YZMJGPQRLWSUTK-CYBMUJFWSA-N 1 3 310.446 0.204 20 0 DCADHO CCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC[NH2+]C ZINC001578323984 1164975110 /nfs/dbraw/zinc/97/51/10/1164975110.db2.gz CGUHHAPTEZTYSF-CQSZACIVSA-N 1 3 322.457 0.218 20 0 DCADHO CN(C[C@H](O)C[NH3+])C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001578442247 1165018558 /nfs/dbraw/zinc/01/85/58/1165018558.db2.gz QGRDZZRLRIHULP-LSDHHAIUSA-N 1 3 306.410 0.072 20 0 DCADHO CN(C[C@H](O)C[NH3+])C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001578442245 1165018849 /nfs/dbraw/zinc/01/88/49/1165018849.db2.gz QGRDZZRLRIHULP-HUUCEWRRSA-N 1 3 306.410 0.072 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC001578528467 1165045179 /nfs/dbraw/zinc/04/51/79/1165045179.db2.gz HWPNICAAPYOLSA-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@H]2C[NH2+]CC23CC3)CC1 ZINC001578533742 1165050895 /nfs/dbraw/zinc/05/08/95/1165050895.db2.gz WPRUZTBSYNGBJA-AWEZNQCLSA-N 1 3 309.458 0.065 20 0 DCADHO COCC1(C2CCC2)C[NH+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001578980684 1165177127 /nfs/dbraw/zinc/17/71/27/1165177127.db2.gz IFGCADMWJFQINR-CQSZACIVSA-N 1 3 309.454 0.932 20 0 DCADHO COCOc1ccc(OC)cc1CN[C@H]1COC2(C[NH2+]C2)C1 ZINC001579078430 1165202002 /nfs/dbraw/zinc/20/20/02/1165202002.db2.gz SQQPGWPSRAODSW-CYBMUJFWSA-N 1 3 308.378 0.898 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)C[C@H]1C[NH3+] ZINC001579428994 1165306473 /nfs/dbraw/zinc/30/64/73/1165306473.db2.gz UQXIAAYBXUDIMG-VDERGJSUSA-N 1 3 319.453 0.509 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)CC[NH2+]1 ZINC001579468176 1165321299 /nfs/dbraw/zinc/32/12/99/1165321299.db2.gz ARHMUFCCGKUBSQ-XOUADPBQSA-N 1 3 309.454 0.869 20 0 DCADHO [NH3+][C@H]1C[C@@](C(=O)N[C@H](CO)CN2CCCC2)(c2ccccc2)C1 ZINC001580426253 1165599987 /nfs/dbraw/zinc/59/99/87/1165599987.db2.gz SNTFZRVMZGDAAW-BQFCYCMXSA-N 1 3 317.433 0.618 20 0 DCADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N[C@@H]1CCCN(CCCO)C1 ZINC001580708363 1165693757 /nfs/dbraw/zinc/69/37/57/1165693757.db2.gz NEUUMMQRPSHFLD-BFYDXBDKSA-N 1 3 324.469 0.665 20 0 DCADHO OC[C@]1(N(CCN2CC[NH2+]CC2)Cc2ccccc2)CCOC1 ZINC001580881068 1165750578 /nfs/dbraw/zinc/75/05/78/1165750578.db2.gz BNNDMDCMCIEGQU-GOSISDBHSA-N 1 3 319.449 0.545 20 0 DCADHO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603662256 1169347039 /nfs/dbraw/zinc/34/70/39/1169347039.db2.gz IQTPTLRVEGOLLI-GFCCVEGCSA-N 1 3 301.398 0.423 20 0 DCADHO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603662256 1169347047 /nfs/dbraw/zinc/34/70/47/1169347047.db2.gz IQTPTLRVEGOLLI-GFCCVEGCSA-N 1 3 301.398 0.423 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)CC1 ZINC001646743014 1172504849 /nfs/dbraw/zinc/50/48/49/1172504849.db2.gz JDIYSZDVAOJBHU-BRWVUGGUSA-N 1 3 322.497 0.908 20 0 DCADHO COC1CCN(CCNC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001646747747 1172507348 /nfs/dbraw/zinc/50/73/48/1172507348.db2.gz KZAVCJWNJSVGJO-HNNXBMFYSA-N 1 3 309.454 0.993 20 0 DCADHO C[C@@H]1NCCN(C(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)[C@H]1C ZINC001646748089 1172507979 /nfs/dbraw/zinc/50/79/79/1172507979.db2.gz ZWZVWPSFFBPTMG-COPLHBTASA-N 1 3 316.405 0.721 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc21 ZINC001646747719 1172508260 /nfs/dbraw/zinc/50/82/60/1172508260.db2.gz IWHFYHALCAIEQA-BLLLJJGKSA-N 1 3 303.410 0.892 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001646779040 1172527825 /nfs/dbraw/zinc/52/78/25/1172527825.db2.gz RSIAHIPADMDZJN-AWEZNQCLSA-N 1 3 306.391 0.003 20 0 DCADHO C[C@@H]1[C@H](NC(=O)c2cnn3cc(CC[NH3+])cnc23)CCN1C ZINC001646800338 1172540169 /nfs/dbraw/zinc/54/01/69/1172540169.db2.gz OGGVUUFWYYEUQN-ZWNOBZJWSA-N 1 3 302.382 0.053 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)N3CCC(OC4C[NH2+]C4)CC3)cc21 ZINC001646834149 1172556517 /nfs/dbraw/zinc/55/65/17/1172556517.db2.gz WRNZTWSEWKYMQD-ZDUSSCGKSA-N 1 3 319.409 0.270 20 0 DCADHO CCCN1CCCC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC001647246760 1172762561 /nfs/dbraw/zinc/76/25/61/1172762561.db2.gz OCWJCUOZJRQVPK-HUUCEWRRSA-N 1 3 324.469 0.829 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N[C@H]3CCCN(CCCO)C3)[C@@H]2C1 ZINC001649312828 1173099636 /nfs/dbraw/zinc/09/96/36/1173099636.db2.gz KTMSIKUKEXODFZ-JONQDZQNSA-N 1 3 324.469 0.473 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N[C@H]3CCCN(CCCO)C3)[C@@H]2C1 ZINC001649312828 1173099642 /nfs/dbraw/zinc/09/96/42/1173099642.db2.gz KTMSIKUKEXODFZ-JONQDZQNSA-N 1 3 324.469 0.473 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)N(C)CC2CC2)C1 ZINC001649439112 1173134754 /nfs/dbraw/zinc/13/47/54/1173134754.db2.gz CVWPUABWEYEPRT-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)N(C)CC2CC2)C1 ZINC001649439112 1173134757 /nfs/dbraw/zinc/13/47/57/1173134757.db2.gz CVWPUABWEYEPRT-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]([NH3+])C3CCCCC3)C2)nn1 ZINC001649856607 1173264253 /nfs/dbraw/zinc/26/42/53/1173264253.db2.gz YYXHAQQATVPERW-LSDHHAIUSA-N 1 3 320.441 0.808 20 0 DCADHO COCCN(C)CCNC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001650336511 1173574891 /nfs/dbraw/zinc/57/48/91/1173574891.db2.gz JNTNIPZWBYOBCF-UHFFFAOYSA-N 1 3 311.348 0.613 20 0 DCADHO O=C([C@H]1CCCCC12CC[NH2+]CC2)N1CCOC2(CNC2)C1 ZINC001650370629 1173598566 /nfs/dbraw/zinc/59/85/66/1173598566.db2.gz QIROIGIJIPSBLC-CQSZACIVSA-N 1 3 307.438 0.747 20 0 DCADHO CSCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001650386924 1173608602 /nfs/dbraw/zinc/60/86/02/1173608602.db2.gz WGOMUESOXZHFAM-NWDGAFQWSA-N 1 3 301.456 0.342 20 0 DCADHO CN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001660254440 1173966538 /nfs/dbraw/zinc/96/65/38/1173966538.db2.gz VXDWIMZAZLOANU-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+](CC)[C@@H]1CCN(C)C1=O)N(C)C ZINC001660614206 1174022343 /nfs/dbraw/zinc/02/23/43/1174022343.db2.gz QQQNWNOUFNAVLD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+](CC)[C@@H]1CCN(C)C1=O)N(C)C ZINC001660614206 1174022351 /nfs/dbraw/zinc/02/23/51/1174022351.db2.gz QQQNWNOUFNAVLD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001664033076 1174386063 /nfs/dbraw/zinc/38/60/63/1174386063.db2.gz LDVPUTXYSGHTNR-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001664033076 1174386071 /nfs/dbraw/zinc/38/60/71/1174386071.db2.gz LDVPUTXYSGHTNR-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001664395221 1174430000 /nfs/dbraw/zinc/43/00/00/1174430000.db2.gz NDHQILGUSJWISY-ZDUSSCGKSA-N 1 3 308.430 0.154 20 0 DCADHO CC1(C)CC(C[NH2+]CCN(CCO)C(=O)Cc2c[nH]cn2)C1 ZINC001672681673 1175143284 /nfs/dbraw/zinc/14/32/84/1175143284.db2.gz KFDMRTJIPUSFJB-UHFFFAOYSA-N 1 3 308.426 0.799 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001673283885 1175185461 /nfs/dbraw/zinc/18/54/61/1175185461.db2.gz DIYLPLWGXIFKAN-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]C/C=C/Cl)C2)C1 ZINC001673310364 1175189343 /nfs/dbraw/zinc/18/93/43/1175189343.db2.gz JKIJDEKGVBZDEV-UXLGEMMMSA-N 1 3 315.845 0.898 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001675558224 1175372150 /nfs/dbraw/zinc/37/21/50/1175372150.db2.gz DGYQHTSGRMTFEE-JONQDZQNSA-N 1 3 311.470 0.903 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001675558224 1175372153 /nfs/dbraw/zinc/37/21/53/1175372153.db2.gz DGYQHTSGRMTFEE-JONQDZQNSA-N 1 3 311.470 0.903 20 0 DCADHO CCCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001677385485 1175560635 /nfs/dbraw/zinc/56/06/35/1175560635.db2.gz CVNXPHCPCCZIPZ-NRXISQOPSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001686785447 1176223630 /nfs/dbraw/zinc/22/36/30/1176223630.db2.gz NGNBUIYBWGHNJA-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001686785447 1176223632 /nfs/dbraw/zinc/22/36/32/1176223632.db2.gz NGNBUIYBWGHNJA-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001720120363 1177517511 /nfs/dbraw/zinc/51/75/11/1177517511.db2.gz ZTBONNJWCCIBID-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001720120363 1177517512 /nfs/dbraw/zinc/51/75/12/1177517512.db2.gz ZTBONNJWCCIBID-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CCCO ZINC001698769313 1177644231 /nfs/dbraw/zinc/64/42/31/1177644231.db2.gz YMJRGJGHUOQBOH-XJKSGUPXSA-N 1 3 317.449 0.923 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001699264386 1178004076 /nfs/dbraw/zinc/00/40/76/1178004076.db2.gz YTMAYIQWFQWNSK-SQVMELSTSA-N 1 3 322.453 0.256 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001699264386 1178004086 /nfs/dbraw/zinc/00/40/86/1178004086.db2.gz YTMAYIQWFQWNSK-SQVMELSTSA-N 1 3 322.453 0.256 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001699280983 1178026156 /nfs/dbraw/zinc/02/61/56/1178026156.db2.gz JUXBMZDUBGDELY-DHCBQETCSA-N 1 3 308.426 0.141 20 0 DCADHO C[C@@H](C[NH2+]CCO[C@@H]1CC1(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001699405686 1178121901 /nfs/dbraw/zinc/12/19/01/1178121901.db2.gz GRLLXJIOZGXDNR-NWDGAFQWSA-N 1 3 319.396 0.989 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001699500408 1178166267 /nfs/dbraw/zinc/16/62/67/1178166267.db2.gz WCDKMPHLNZVRNV-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N(CCO)CCNCCF)C1 ZINC001700041548 1178456041 /nfs/dbraw/zinc/45/60/41/1178456041.db2.gz CLHRGZPKKWKRIG-UONOGXRCSA-N 1 3 303.422 0.487 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001712950516 1180579869 /nfs/dbraw/zinc/57/98/69/1180579869.db2.gz LHWBDBHBHAGHQR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001712950516 1180579874 /nfs/dbraw/zinc/57/98/74/1180579874.db2.gz LHWBDBHBHAGHQR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H](C)C(=O)NC ZINC001713024989 1180633057 /nfs/dbraw/zinc/63/30/57/1180633057.db2.gz OPHZZLKETJQTLE-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H](C)C(=O)NC ZINC001713024989 1180633059 /nfs/dbraw/zinc/63/30/59/1180633059.db2.gz OPHZZLKETJQTLE-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001713340457 1180775203 /nfs/dbraw/zinc/77/52/03/1180775203.db2.gz DVFKIWKNGJNKHI-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001713590502 1180948724 /nfs/dbraw/zinc/94/87/24/1180948724.db2.gz HBDHNSMBZVDFDC-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001713590502 1180948731 /nfs/dbraw/zinc/94/87/31/1180948731.db2.gz HBDHNSMBZVDFDC-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001714562867 1181418759 /nfs/dbraw/zinc/41/87/59/1181418759.db2.gz MSKHTFTXOBRFAX-UKRRQHHQSA-N 1 3 307.442 0.493 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCN1CCCC1=O)N(C)C ZINC001714713844 1181498667 /nfs/dbraw/zinc/49/86/67/1181498667.db2.gz HWEBELFQRYIQIS-HNNXBMFYSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001714741955 1181518154 /nfs/dbraw/zinc/51/81/54/1181518154.db2.gz GAKYLMCNLMKOLL-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@@H](C[NH2+]CCO[C@H]1CC1(F)F)N(C)C(=O)CN1CCCC1 ZINC001714866638 1181576965 /nfs/dbraw/zinc/57/69/65/1181576965.db2.gz SASVOTFNOOCQQN-STQMWFEESA-N 1 3 319.396 0.943 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001715775194 1181990676 /nfs/dbraw/zinc/99/06/76/1181990676.db2.gz JYZMQAGCHGUMGV-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)n1 ZINC001715801190 1182011079 /nfs/dbraw/zinc/01/10/79/1182011079.db2.gz TXMQUVHGADWGMU-YIEVGGLXSA-N 1 3 319.453 0.856 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715854317 1182053032 /nfs/dbraw/zinc/05/30/32/1182053032.db2.gz RMCNUROWGWNPBD-GFUIURDCSA-N 1 3 310.442 0.257 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001715910444 1182096480 /nfs/dbraw/zinc/09/64/80/1182096480.db2.gz DTYQOVVOKZCOLR-FAAWYNLUSA-N 1 3 322.453 0.355 20 0 DCADHO CCN(CCNCC(=O)N(CC)C1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716253888 1182278989 /nfs/dbraw/zinc/27/89/89/1182278989.db2.gz LYLYOAHXHDXGHZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N(CC)C1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001716253888 1182278993 /nfs/dbraw/zinc/27/89/93/1182278993.db2.gz LYLYOAHXHDXGHZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716336293 1182342666 /nfs/dbraw/zinc/34/26/66/1182342666.db2.gz HOGAIXIJAKTJTP-PAQYYLKOSA-N 1 3 310.442 0.113 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716336293 1182342681 /nfs/dbraw/zinc/34/26/81/1182342681.db2.gz HOGAIXIJAKTJTP-PAQYYLKOSA-N 1 3 310.442 0.113 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001716436814 1182390124 /nfs/dbraw/zinc/39/01/24/1182390124.db2.gz KPGOTJRSFHBTJV-UONOGXRCSA-N 1 3 308.430 0.245 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCn1cc(Cl)cn1 ZINC001716461667 1182399297 /nfs/dbraw/zinc/39/92/97/1182399297.db2.gz XEZBKYWRIPFGJX-JTQLQIEISA-N 1 3 324.816 0.905 20 0 DCADHO CN(CCC[NH2+]CCc1cnn(C)c1)C(=O)Cc1c[nH]cn1 ZINC001716569242 1182448101 /nfs/dbraw/zinc/44/81/01/1182448101.db2.gz ILDDWJXGWOCQKQ-UHFFFAOYSA-N 1 3 304.398 0.367 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CCn3cncn3)C2)C1 ZINC001717389846 1182816664 /nfs/dbraw/zinc/81/66/64/1182816664.db2.gz COCZQVJBTOVCBI-WLYUNCDWSA-N 1 3 320.441 0.104 20 0 DCADHO CCCN(C)CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001721858246 1184082803 /nfs/dbraw/zinc/08/28/03/1184082803.db2.gz FPRZYFNPOFUBBW-GJBLVYBDSA-N 1 3 310.442 0.069 20 0 DCADHO CCCN(C)CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001721858246 1184082810 /nfs/dbraw/zinc/08/28/10/1184082810.db2.gz FPRZYFNPOFUBBW-GJBLVYBDSA-N 1 3 310.442 0.069 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001722990108 1184241656 /nfs/dbraw/zinc/24/16/56/1184241656.db2.gz ITUXNWDZENCLDD-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001725368612 1184789415 /nfs/dbraw/zinc/78/94/15/1184789415.db2.gz HEDQJKMWEPOQDF-SHTZXODSSA-N 1 3 324.469 0.433 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001725609138 1184910599 /nfs/dbraw/zinc/91/05/99/1184910599.db2.gz UYNJIDGORJORCJ-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCCF ZINC001725710078 1184959271 /nfs/dbraw/zinc/95/92/71/1184959271.db2.gz MVZIEXRUGHCHFZ-UONOGXRCSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCCF ZINC001725710078 1184959275 /nfs/dbraw/zinc/95/92/75/1184959275.db2.gz MVZIEXRUGHCHFZ-UONOGXRCSA-N 1 3 303.422 0.628 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001731323498 1185267080 /nfs/dbraw/zinc/26/70/80/1185267080.db2.gz YRRQGGOLPGRDKS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001731323498 1185267085 /nfs/dbraw/zinc/26/70/85/1185267085.db2.gz YRRQGGOLPGRDKS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001731323497 1185268355 /nfs/dbraw/zinc/26/83/55/1185268355.db2.gz YRRQGGOLPGRDKS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001731323497 1185268358 /nfs/dbraw/zinc/26/83/58/1185268358.db2.gz YRRQGGOLPGRDKS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCCCN1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001731370661 1185303396 /nfs/dbraw/zinc/30/33/96/1185303396.db2.gz OVFFULBTLOZREV-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCCCCN1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001731370661 1185303405 /nfs/dbraw/zinc/30/34/05/1185303405.db2.gz OVFFULBTLOZREV-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001731858867 1185533263 /nfs/dbraw/zinc/53/32/63/1185533263.db2.gz VOFHWAKPDDXWTN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)CCC[NH+]1CCCCC1 ZINC001731984108 1185625683 /nfs/dbraw/zinc/62/56/83/1185625683.db2.gz SKRGWRLGGNQMPI-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC ZINC001733144496 1186162053 /nfs/dbraw/zinc/16/20/53/1186162053.db2.gz GRTATCNJHRTRHF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCOCCO)CC1(C)C ZINC001733876472 1186483309 /nfs/dbraw/zinc/48/33/09/1186483309.db2.gz USXWKOQHRRPZEN-AWEZNQCLSA-N 1 3 315.458 0.164 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCNC(=O)[C@@H]2CCCN2C)C1 ZINC001737111758 1187247709 /nfs/dbraw/zinc/24/77/09/1187247709.db2.gz WAOLESWZOJTYNN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)[C@@H]2CCCN2C)C1 ZINC001737111758 1187247714 /nfs/dbraw/zinc/24/77/14/1187247714.db2.gz WAOLESWZOJTYNN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)[C@H]1CCCCN1C ZINC001753202290 1188534111 /nfs/dbraw/zinc/53/41/11/1188534111.db2.gz PRCLTVOILIURPY-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001753877248 1188670516 /nfs/dbraw/zinc/67/05/16/1188670516.db2.gz ZBLIISKAAKDJHQ-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001753877248 1188670518 /nfs/dbraw/zinc/67/05/18/1188670518.db2.gz ZBLIISKAAKDJHQ-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO CN1CC[C@@H](NC/C=C\CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001754142880 1188758547 /nfs/dbraw/zinc/75/85/47/1188758547.db2.gz AKPZFVZGNGGJND-PYLYLYNFSA-N 1 3 320.437 0.108 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001754162687 1188766221 /nfs/dbraw/zinc/76/62/21/1188766221.db2.gz AKXPRMNEYZXGKG-XVWMLYKFSA-N 1 3 322.453 0.211 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001758009803 1189678318 /nfs/dbraw/zinc/67/83/18/1189678318.db2.gz WMEYIXBOTLHWFL-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO CN1CC[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC000312435211 1190393966 /nfs/dbraw/zinc/39/39/66/1190393966.db2.gz BNPYXVDLYRBDEK-KGLIPLIRSA-N 1 3 301.456 0.199 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001772073658 1190604486 /nfs/dbraw/zinc/60/44/86/1190604486.db2.gz PBWUKNMRLSHGBG-BYNSBNAKSA-N 1 3 310.442 0.632 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001772255533 1190645281 /nfs/dbraw/zinc/64/52/81/1190645281.db2.gz UDXMEQLSFYSTLA-KGLIPLIRSA-N 1 3 316.405 0.723 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001772255533 1190645282 /nfs/dbraw/zinc/64/52/82/1190645282.db2.gz UDXMEQLSFYSTLA-KGLIPLIRSA-N 1 3 316.405 0.723 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21 ZINC001772261001 1190646994 /nfs/dbraw/zinc/64/69/94/1190646994.db2.gz KXGFVPZULNASTH-YVECIDJPSA-N 1 3 303.410 0.937 20 0 DCADHO C[C@H]([NH3+])C1(C(=O)N2CCC3(CC2)CNCCO3)CCOCC1 ZINC001772284896 1190653254 /nfs/dbraw/zinc/65/32/54/1190653254.db2.gz DCRVVBJEWBVEIQ-ZDUSSCGKSA-N 1 3 311.426 0.111 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001772292986 1190655367 /nfs/dbraw/zinc/65/53/67/1190655367.db2.gz FWBJZCPCVZOPHC-GXTWGEPZSA-N 1 3 316.405 0.626 20 0 DCADHO CC(C)[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CC1C[NH2+]C1 ZINC001575498056 1164037622 /nfs/dbraw/zinc/03/76/22/1164037622.db2.gz HZUZNHPOAAGXFX-HUUCEWRRSA-N 1 3 315.483 0.730 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)C[C@@H]([NH3+])CCSC)CC1 ZINC001577775961 1164788087 /nfs/dbraw/zinc/78/80/87/1164788087.db2.gz SLRMJVKNLPOFCZ-KGLIPLIRSA-N 1 3 316.515 0.599 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)C1CC1 ZINC001107438959 752048524 /nfs/dbraw/zinc/04/85/24/752048524.db2.gz NROCRQOSFIVDHS-HLLBOEOZSA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)C1CC1 ZINC001107438959 752048532 /nfs/dbraw/zinc/04/85/32/752048532.db2.gz NROCRQOSFIVDHS-HLLBOEOZSA-N 1 3 309.454 0.680 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC2CCCC2)C1 ZINC001209444368 746998622 /nfs/dbraw/zinc/99/86/22/746998622.db2.gz GCVAWBBEONUOJH-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678757 747120872 /nfs/dbraw/zinc/12/08/72/747120872.db2.gz WNJUZRCPZVAKPM-CQSZACIVSA-N 1 3 323.441 0.079 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001210811531 747137916 /nfs/dbraw/zinc/13/79/16/747137916.db2.gz PEQJSPGRFHNZGY-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626508 747436127 /nfs/dbraw/zinc/43/61/27/747436127.db2.gz CRYUEPNPFZTSMB-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001087257126 747553720 /nfs/dbraw/zinc/55/37/20/747553720.db2.gz AYRZLXCFKWZOPZ-DGCLKSJQSA-N 1 3 321.425 0.637 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001087257126 747553724 /nfs/dbraw/zinc/55/37/24/747553724.db2.gz AYRZLXCFKWZOPZ-DGCLKSJQSA-N 1 3 321.425 0.637 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001087259442 747573072 /nfs/dbraw/zinc/57/30/72/747573072.db2.gz OQAMUCYHFFXUON-CMPLNLGQSA-N 1 3 307.398 0.106 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001087259442 747573077 /nfs/dbraw/zinc/57/30/77/747573077.db2.gz OQAMUCYHFFXUON-CMPLNLGQSA-N 1 3 307.398 0.106 20 0 DCADHO CCCC(C[NH3+])(CCC)NC(=O)[C@@H](N)CCCNC(N)=O ZINC001221372805 747977677 /nfs/dbraw/zinc/97/76/77/747977677.db2.gz SSVLOTLYMSDDBS-NSHDSACASA-N 1 3 301.435 0.176 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001167814710 748368622 /nfs/dbraw/zinc/36/86/22/748368622.db2.gz CCANMSTUPOEKII-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001167835175 748405232 /nfs/dbraw/zinc/40/52/32/748405232.db2.gz FCIUDNIBNMPULH-UHFFFAOYSA-N 1 3 322.457 0.496 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001086558625 761931277 /nfs/dbraw/zinc/93/12/77/761931277.db2.gz GBCCUUQPQMVKJW-KBUPBQIOSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001088326179 749369713 /nfs/dbraw/zinc/36/97/13/749369713.db2.gz JABPCNXLSLEILK-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088414047 749427051 /nfs/dbraw/zinc/42/70/51/749427051.db2.gz VUDPWEISAZPTML-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088414047 749427057 /nfs/dbraw/zinc/42/70/57/749427057.db2.gz VUDPWEISAZPTML-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CC)N(C)C ZINC001077151044 750231037 /nfs/dbraw/zinc/23/10/37/750231037.db2.gz BDWCXUWTOBIZBZ-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)CC[N@@H+](C)CC)N(C)C ZINC001077151044 750231041 /nfs/dbraw/zinc/23/10/41/750231041.db2.gz BDWCXUWTOBIZBZ-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCN1CCO ZINC001088971764 750750139 /nfs/dbraw/zinc/75/01/39/750750139.db2.gz CEXKEEKNHCVXLW-CJNGLKHVSA-N 1 3 309.454 0.680 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127253973 750925789 /nfs/dbraw/zinc/92/57/89/750925789.db2.gz BOTBHVDDLYCGSC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127253973 750925795 /nfs/dbraw/zinc/92/57/95/750925795.db2.gz BOTBHVDDLYCGSC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256546 750945965 /nfs/dbraw/zinc/94/59/65/750945965.db2.gz OXMOZTSFHDAQCV-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256546 750945968 /nfs/dbraw/zinc/94/59/68/750945968.db2.gz OXMOZTSFHDAQCV-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106132913 750952553 /nfs/dbraw/zinc/95/25/53/750952553.db2.gz FLACDZFIAKYHAL-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H](C)C(N)=O)[C@H](C)C1 ZINC001106336135 751113801 /nfs/dbraw/zinc/11/38/01/751113801.db2.gz DMZDVQZVZUTFES-FRRDWIJNSA-N 1 3 312.458 0.275 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1 ZINC001106779154 751275898 /nfs/dbraw/zinc/27/58/98/751275898.db2.gz FSZWYWIUQQVJSI-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001203459231 752648772 /nfs/dbraw/zinc/64/87/72/752648772.db2.gz AWUXNSPHMDXLAP-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCCC1 ZINC001044858559 752906120 /nfs/dbraw/zinc/90/61/20/752906120.db2.gz TXEUWWKLHNXAKJ-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)CC[N@@H+]1C ZINC001045043637 753019331 /nfs/dbraw/zinc/01/93/31/753019331.db2.gz JTNIEMDPYRHSSB-VNHYZAJKSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cnnn2C)CC[N@H+]1C ZINC001045043637 753019336 /nfs/dbraw/zinc/01/93/36/753019336.db2.gz JTNIEMDPYRHSSB-VNHYZAJKSA-N 1 3 320.441 0.236 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)C1 ZINC001045199874 753086872 /nfs/dbraw/zinc/08/68/72/753086872.db2.gz LQYUQCMGUZKPIF-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001078197659 753103188 /nfs/dbraw/zinc/10/31/88/753103188.db2.gz MIELEFSAXCPQEV-ZFWWWQNUSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078201249 753119375 /nfs/dbraw/zinc/11/93/75/753119375.db2.gz NKCBNCBYZOJBCR-ZDUSSCGKSA-N 1 3 300.447 0.289 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001045275621 753125337 /nfs/dbraw/zinc/12/53/37/753125337.db2.gz ATEWITUFDGHORF-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001045275621 753125341 /nfs/dbraw/zinc/12/53/41/753125341.db2.gz ATEWITUFDGHORF-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035904 753439347 /nfs/dbraw/zinc/43/93/47/753439347.db2.gz WBAJYCTYYZTWCJ-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035904 753439350 /nfs/dbraw/zinc/43/93/50/753439350.db2.gz WBAJYCTYYZTWCJ-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CN1CCN(C(=[NH2+])Nc2nc(Cl)nc3nccnc32)CC1 ZINC001168736933 753990524 /nfs/dbraw/zinc/99/05/24/753990524.db2.gz SXXDWWNKVDMADF-UHFFFAOYSA-N 1 3 306.761 0.667 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047380683 754227876 /nfs/dbraw/zinc/22/78/76/754227876.db2.gz RKYOQPOSUSMOQZ-PMPSAXMXSA-N 1 3 309.454 0.773 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047380683 754227882 /nfs/dbraw/zinc/22/78/82/754227882.db2.gz RKYOQPOSUSMOQZ-PMPSAXMXSA-N 1 3 309.454 0.773 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128782847 754280640 /nfs/dbraw/zinc/28/06/40/754280640.db2.gz CKMRZNIKBIMTGH-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128782847 754280644 /nfs/dbraw/zinc/28/06/44/754280644.db2.gz CKMRZNIKBIMTGH-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)CC ZINC001168755151 754397479 /nfs/dbraw/zinc/39/74/79/754397479.db2.gz JFPHSQKZENFRBF-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048061329 754597220 /nfs/dbraw/zinc/59/72/20/754597220.db2.gz BFYUGJZAATXUMH-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]Cc1nccn1C ZINC001048478621 754769188 /nfs/dbraw/zinc/76/91/88/754769188.db2.gz YAJRKJYQPMOIBX-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863565 754985008 /nfs/dbraw/zinc/98/50/08/754985008.db2.gz HJAOFNSRGGDKOH-ARLBYUKCSA-N 1 3 309.454 0.752 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863565 754985010 /nfs/dbraw/zinc/98/50/10/754985010.db2.gz HJAOFNSRGGDKOH-ARLBYUKCSA-N 1 3 309.454 0.752 20 0 DCADHO CNC(=O)[C@H](C)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052872238 755848500 /nfs/dbraw/zinc/84/85/00/755848500.db2.gz YYRODUHKNODZDX-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001053503190 756067969 /nfs/dbraw/zinc/06/79/69/756067969.db2.gz ITAYYPMCSQLCIW-QWHCGFSZSA-N 1 3 321.425 0.115 20 0 DCADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080192365 756124939 /nfs/dbraw/zinc/12/49/39/756124939.db2.gz PFHWFQHUWVWMKP-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080192365 756124940 /nfs/dbraw/zinc/12/49/40/756124940.db2.gz PFHWFQHUWVWMKP-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205023 756406070 /nfs/dbraw/zinc/40/60/70/756406070.db2.gz IUMQPDGJTKYFRK-BBRMVZONSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205023 756406073 /nfs/dbraw/zinc/40/60/73/756406073.db2.gz IUMQPDGJTKYFRK-BBRMVZONSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001080992685 756415940 /nfs/dbraw/zinc/41/59/40/756415940.db2.gz VFODUPUSFICNBZ-CZUORRHYSA-N 1 3 305.422 0.791 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001054296973 756427198 /nfs/dbraw/zinc/42/71/98/756427198.db2.gz XRFYNUPBNDTOPN-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1NCC(N)=O ZINC001054646085 756596185 /nfs/dbraw/zinc/59/61/85/756596185.db2.gz AEAPCBLRTYRLDF-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054734715 756620887 /nfs/dbraw/zinc/62/08/87/756620887.db2.gz CSJUMIRYMVINLL-UKRRQHHQSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC001054738327 756622118 /nfs/dbraw/zinc/62/21/18/756622118.db2.gz OZJSKAJGLVSCKZ-BBRMVZONSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054743232 756623868 /nfs/dbraw/zinc/62/38/68/756623868.db2.gz FYTAYNIABAWQLU-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001082589168 757195454 /nfs/dbraw/zinc/19/54/54/757195454.db2.gz LZTVGAXREWYFIM-MGPQQGTHSA-N 1 3 308.430 0.055 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001082589063 757195790 /nfs/dbraw/zinc/19/57/90/757195790.db2.gz FWYJRVOSBANTSZ-FVQBIDKESA-N 1 3 321.469 0.739 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082612450 757205294 /nfs/dbraw/zinc/20/52/94/757205294.db2.gz OPSYWQNVGVQZLB-MGPQQGTHSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082612450 757205298 /nfs/dbraw/zinc/20/52/98/757205298.db2.gz OPSYWQNVGVQZLB-MGPQQGTHSA-N 1 3 310.442 0.029 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082851952 757300577 /nfs/dbraw/zinc/30/05/77/757300577.db2.gz LKQGYEANKROOFW-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082851952 757300583 /nfs/dbraw/zinc/30/05/83/757300583.db2.gz LKQGYEANKROOFW-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001170223956 762579114 /nfs/dbraw/zinc/57/91/14/762579114.db2.gz ZPCWNYNSQLZNSN-UHFFFAOYSA-N 1 3 311.386 0.051 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001170223956 762579122 /nfs/dbraw/zinc/57/91/22/762579122.db2.gz ZPCWNYNSQLZNSN-UHFFFAOYSA-N 1 3 311.386 0.051 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084953529 758134539 /nfs/dbraw/zinc/13/45/39/758134539.db2.gz SBTYQWHIQYWHQY-PMPSAXMXSA-N 1 3 309.454 0.776 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084953529 758134545 /nfs/dbraw/zinc/13/45/45/758134545.db2.gz SBTYQWHIQYWHQY-PMPSAXMXSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084953529 758134553 /nfs/dbraw/zinc/13/45/53/758134553.db2.gz SBTYQWHIQYWHQY-PMPSAXMXSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084953529 758134562 /nfs/dbraw/zinc/13/45/62/758134562.db2.gz SBTYQWHIQYWHQY-PMPSAXMXSA-N 1 3 309.454 0.776 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N(C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC001157716514 762606701 /nfs/dbraw/zinc/60/67/01/762606701.db2.gz OWOWGVUOKAXVFR-HOTGVXAUSA-N 1 3 321.421 0.402 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC2CCC2)C1)C1CC1 ZINC001051654176 758840361 /nfs/dbraw/zinc/84/03/61/758840361.db2.gz IRCSQZWDOIRYLR-HZPDHXFCSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CC3CCC3)C2)C1 ZINC001051825817 758972494 /nfs/dbraw/zinc/97/24/94/758972494.db2.gz WLYODMGJDXRMIR-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073303 759159656 /nfs/dbraw/zinc/15/96/56/759159656.db2.gz HNSJWPWGOBLNMM-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)C[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001052118748 759192360 /nfs/dbraw/zinc/19/23/60/759192360.db2.gz WKROOCFOQQYHIV-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701691 759214564 /nfs/dbraw/zinc/21/45/64/759214564.db2.gz WBZWHPOAOUDWJA-GXTWGEPZSA-N 1 3 302.378 0.861 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701691 759214568 /nfs/dbraw/zinc/21/45/68/759214568.db2.gz WBZWHPOAOUDWJA-GXTWGEPZSA-N 1 3 302.378 0.861 20 0 DCADHO Cc1ncc(CNCCNC(=O)COCC[NH+](C)C)s1 ZINC001147841323 767858415 /nfs/dbraw/zinc/85/84/15/767858415.db2.gz FFUDSJPAZDWJEL-UHFFFAOYSA-N 1 3 300.428 0.236 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001147878130 767870327 /nfs/dbraw/zinc/87/03/27/767870327.db2.gz SYECZLWNTKRIHD-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001147878130 767870334 /nfs/dbraw/zinc/87/03/34/767870334.db2.gz SYECZLWNTKRIHD-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098410960 759761987 /nfs/dbraw/zinc/76/19/87/759761987.db2.gz UTUDNOONMBPSAX-UHFFFAOYSA-N 1 3 317.449 0.972 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098410960 759761997 /nfs/dbraw/zinc/76/19/97/759761997.db2.gz UTUDNOONMBPSAX-UHFFFAOYSA-N 1 3 317.449 0.972 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001147977676 767891899 /nfs/dbraw/zinc/89/18/99/767891899.db2.gz VHEHOFQOCBRXTD-CQSZACIVSA-N 1 3 322.453 0.047 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001100080284 760168899 /nfs/dbraw/zinc/16/88/99/760168899.db2.gz GZLMENSAGQSPPX-KBPBESRZSA-N 1 3 303.422 0.629 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001100084143 760188927 /nfs/dbraw/zinc/18/89/27/760188927.db2.gz XWGISINWLWOAQP-ZIAGYGMSSA-N 1 3 303.422 0.629 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001100084143 760188932 /nfs/dbraw/zinc/18/89/32/760188932.db2.gz XWGISINWLWOAQP-ZIAGYGMSSA-N 1 3 303.422 0.629 20 0 DCADHO CCOCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148285116 767958632 /nfs/dbraw/zinc/95/86/32/767958632.db2.gz MWNVQUHXQRQSBG-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CCOCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148285116 767958638 /nfs/dbraw/zinc/95/86/38/767958638.db2.gz MWNVQUHXQRQSBG-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCN2CCCN(C)CC2)CO1 ZINC001169335401 760650235 /nfs/dbraw/zinc/65/02/35/760650235.db2.gz RPWJKOIYHOIHHY-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360400 767972671 /nfs/dbraw/zinc/97/26/71/767972671.db2.gz SNXYKVJUXIZLMN-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001129332929 760698639 /nfs/dbraw/zinc/69/86/39/760698639.db2.gz DWIRJJGNLSKPHF-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001129332929 760698643 /nfs/dbraw/zinc/69/86/43/760698643.db2.gz DWIRJJGNLSKPHF-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148365663 767974313 /nfs/dbraw/zinc/97/43/13/767974313.db2.gz VTGVFHJJIMPADD-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001129341823 760791893 /nfs/dbraw/zinc/79/18/93/760791893.db2.gz ZVNIJEKXLHXHRU-HNNXBMFYSA-N 1 3 324.469 0.196 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001129341823 760791898 /nfs/dbraw/zinc/79/18/98/760791898.db2.gz ZVNIJEKXLHXHRU-HNNXBMFYSA-N 1 3 324.469 0.196 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001070191689 761130127 /nfs/dbraw/zinc/13/01/27/761130127.db2.gz MSHOHDJGSVNKHQ-ILXRZTDVSA-N 1 3 320.441 0.512 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001070204582 761135453 /nfs/dbraw/zinc/13/54/53/761135453.db2.gz GIMZNHFCMKWMJM-KFWWJZLASA-N 1 3 320.441 0.514 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccccc1C(N)=O ZINC001148539770 768011199 /nfs/dbraw/zinc/01/11/99/768011199.db2.gz FNZJNAXOZRFYNT-UHFFFAOYSA-N 1 3 305.382 0.463 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)CCC ZINC001148656169 768024911 /nfs/dbraw/zinc/02/49/11/768024911.db2.gz XMVVWKQDLQDCSG-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001070629669 761361498 /nfs/dbraw/zinc/36/14/98/761361498.db2.gz QTUQBTZLYQBIOF-MGPQQGTHSA-N 1 3 305.426 0.418 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112548904 761690407 /nfs/dbraw/zinc/69/04/07/761690407.db2.gz YSTNVSVJHNLFDD-RDJZCZTQSA-N 1 3 311.470 0.929 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC001129454257 762939612 /nfs/dbraw/zinc/93/96/12/762939612.db2.gz ISQXXEQGFSRWMO-CVEARBPZSA-N 1 3 323.412 0.905 20 0 DCADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430843 762940680 /nfs/dbraw/zinc/94/06/80/762940680.db2.gz YIFQBVIDXCSNHK-CABCVRRESA-N 1 3 322.453 0.378 20 0 DCADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129430843 762940684 /nfs/dbraw/zinc/94/06/84/762940684.db2.gz YIFQBVIDXCSNHK-CABCVRRESA-N 1 3 322.453 0.378 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCCCCn1cncn1)C1CC1 ZINC001129443774 762945085 /nfs/dbraw/zinc/94/50/85/762945085.db2.gz NCIOEVYPHKJCPG-HNNXBMFYSA-N 1 3 322.457 0.494 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC001129443368 762945483 /nfs/dbraw/zinc/94/54/83/762945483.db2.gz JISQFATVBVPTTR-HZPDHXFCSA-N 1 3 305.422 0.766 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCO[C@H]1CC1(F)F)C1CCC1 ZINC001129531772 762953546 /nfs/dbraw/zinc/95/35/46/762953546.db2.gz JXCNZQIMULKNRC-LBPRGKRZSA-N 1 3 305.369 0.601 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001129947273 763065801 /nfs/dbraw/zinc/06/58/01/763065801.db2.gz RLVMLIKWXNFPTA-MNOVXSKESA-N 1 3 313.364 0.592 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)n1 ZINC001129949969 763054841 /nfs/dbraw/zinc/05/48/41/763054841.db2.gz MFVGBJHNDHNCEI-HNNXBMFYSA-N 1 3 309.458 0.792 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949975 763054874 /nfs/dbraw/zinc/05/48/74/763054874.db2.gz MSBCBRHPGLZSEH-KGLIPLIRSA-N 1 3 314.474 0.439 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001157901309 763082552 /nfs/dbraw/zinc/08/25/52/763082552.db2.gz ZRLUPBIDYQPEEK-KCQAQPDRSA-N 1 3 303.422 0.803 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)C[C@@H]2O)CCC1 ZINC001099872476 763089579 /nfs/dbraw/zinc/08/95/79/763089579.db2.gz UXIQLSOMEBVNPG-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)C[C@@H]2O)CCC1 ZINC001099872476 763089585 /nfs/dbraw/zinc/08/95/85/763089585.db2.gz UXIQLSOMEBVNPG-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cnn(C)c1 ZINC001086982044 768112007 /nfs/dbraw/zinc/11/20/07/768112007.db2.gz QTHMXKQSCRMIAH-LSDHHAIUSA-N 1 3 319.453 0.808 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCOC[C@H]1CCCCO1)N(C)C ZINC001130205800 763179542 /nfs/dbraw/zinc/17/95/42/763179542.db2.gz WYNZLNXWWHHXSY-HUUCEWRRSA-N 1 3 315.458 0.618 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCCCC1 ZINC001130419086 763304664 /nfs/dbraw/zinc/30/46/64/763304664.db2.gz KPXAVZJUHMAGDW-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCCCC1 ZINC001130419086 763304670 /nfs/dbraw/zinc/30/46/70/763304670.db2.gz KPXAVZJUHMAGDW-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001130711021 763449655 /nfs/dbraw/zinc/44/96/55/763449655.db2.gz LMPQCNPWVWNFGK-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001130711021 763449661 /nfs/dbraw/zinc/44/96/61/763449661.db2.gz LMPQCNPWVWNFGK-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccnn1C ZINC001130711232 763451097 /nfs/dbraw/zinc/45/10/97/763451097.db2.gz RFMFWADTDVJLPS-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccnn1C ZINC001130711232 763451104 /nfs/dbraw/zinc/45/11/04/763451104.db2.gz RFMFWADTDVJLPS-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC)C1 ZINC001130719411 763458051 /nfs/dbraw/zinc/45/80/51/763458051.db2.gz OVRKBTFVXDPWEI-DZGCQCFKSA-N 1 3 307.442 0.666 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410888 763560676 /nfs/dbraw/zinc/56/06/76/763560676.db2.gz RTWPRQJQBHPIAR-UHFFFAOYSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)(C)[C@@H](N)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158259851 763675183 /nfs/dbraw/zinc/67/51/83/763675183.db2.gz AAGAMECRVKAYSM-LBPRGKRZSA-N 1 3 306.414 0.072 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2cnnn2C)C1 ZINC001100676148 763716591 /nfs/dbraw/zinc/71/65/91/763716591.db2.gz ILMRQWNDNXRUNT-HSBZDZAISA-N 1 3 320.441 0.284 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001100678785 763721228 /nfs/dbraw/zinc/72/12/28/763721228.db2.gz WRWOETGWXFTYQP-VQCLRJIVSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCn2cccn2)C1)N(C)C ZINC001100683881 763723473 /nfs/dbraw/zinc/72/34/73/763723473.db2.gz WOMDJEDKVRFIJE-NRXISQOPSA-N 1 3 307.442 0.708 20 0 DCADHO CC(C)CCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519416 763842901 /nfs/dbraw/zinc/84/29/01/763842901.db2.gz DLIIHEDSLGYDDN-CKDBGZEDSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)(C)CC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519978 763845066 /nfs/dbraw/zinc/84/50/66/763845066.db2.gz PLYISECSLQBHPY-XOYHFGRZSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001101037228 763931191 /nfs/dbraw/zinc/93/11/91/763931191.db2.gz DOGTUKOGSKJFEQ-OPFPJEHXSA-N 1 3 324.469 0.478 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)O[C@]2(CCN(CCO)C2)C1 ZINC001131692966 763953673 /nfs/dbraw/zinc/95/36/73/763953673.db2.gz LZSKIWNVLQWKSK-HOCLYGCPSA-N 1 3 313.442 0.012 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)O[C@]2(CCN(CCO)C2)C1 ZINC001131692966 763953678 /nfs/dbraw/zinc/95/36/78/763953678.db2.gz LZSKIWNVLQWKSK-HOCLYGCPSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)(C(=O)NCCNCC(=O)N1CCCC1)[NH+]1CCCC1 ZINC001132280461 764350984 /nfs/dbraw/zinc/35/09/84/764350984.db2.gz KFGQFPYUHGEODK-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001132738593 764617100 /nfs/dbraw/zinc/61/71/00/764617100.db2.gz ILAJLGVHALQFGT-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001132738593 764617106 /nfs/dbraw/zinc/61/71/06/764617106.db2.gz ILAJLGVHALQFGT-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC2CC2)C1 ZINC001132743228 764620163 /nfs/dbraw/zinc/62/01/63/764620163.db2.gz ZEODHWSCGFPLEU-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC2CC2)C1 ZINC001132743228 764620166 /nfs/dbraw/zinc/62/01/66/764620166.db2.gz ZEODHWSCGFPLEU-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102475393 764656877 /nfs/dbraw/zinc/65/68/77/764656877.db2.gz MUKKUXXVUPLPHT-HUUCEWRRSA-N 1 3 315.458 0.021 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102475393 764656883 /nfs/dbraw/zinc/65/68/83/764656883.db2.gz MUKKUXXVUPLPHT-HUUCEWRRSA-N 1 3 315.458 0.021 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893030 764713615 /nfs/dbraw/zinc/71/36/15/764713615.db2.gz HMZLNNLWFPGENQ-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893030 764713621 /nfs/dbraw/zinc/71/36/21/764713621.db2.gz HMZLNNLWFPGENQ-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133040385 764797563 /nfs/dbraw/zinc/79/75/63/764797563.db2.gz OLMYJDHBSGHBEG-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CNC(=O)c1cccc(CNCCNC(=O)CCC[NH+](C)C)c1 ZINC001133051437 764802890 /nfs/dbraw/zinc/80/28/90/764802890.db2.gz GGDKVRHBSQLUPC-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1nccn1C ZINC001133091593 764821756 /nfs/dbraw/zinc/82/17/56/764821756.db2.gz SOPHDEKNTAJNLI-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001133135903 764840519 /nfs/dbraw/zinc/84/05/19/764840519.db2.gz YXABMKBWISBPEC-QWHCGFSZSA-N 1 3 321.425 0.115 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCC[C@H](C)C1 ZINC001133819429 765149331 /nfs/dbraw/zinc/14/93/31/765149331.db2.gz BVXYAVUCPINFNB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCC[C@H](C)C1 ZINC001133819429 765149340 /nfs/dbraw/zinc/14/93/40/765149340.db2.gz BVXYAVUCPINFNB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO COc1ncc(CNCCNC(=O)C[N@@H+]2CCC[C@@H]2C)c(C)n1 ZINC001133833874 765164142 /nfs/dbraw/zinc/16/41/42/765164142.db2.gz IKKVCMLDWBXRME-LBPRGKRZSA-N 1 3 321.425 0.484 20 0 DCADHO COc1ncc(CNCCNC(=O)C[N@H+]2CCC[C@@H]2C)c(C)n1 ZINC001133833874 765164146 /nfs/dbraw/zinc/16/41/46/765164146.db2.gz IKKVCMLDWBXRME-LBPRGKRZSA-N 1 3 321.425 0.484 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001133834204 765165082 /nfs/dbraw/zinc/16/50/82/765165082.db2.gz QPPIDIBGYYCRFO-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C)C1CC1 ZINC001133834204 765165083 /nfs/dbraw/zinc/16/50/83/765165083.db2.gz QPPIDIBGYYCRFO-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC001133851018 765170072 /nfs/dbraw/zinc/17/00/72/765170072.db2.gz UXVAOZDRHLCQFA-CZUORRHYSA-N 1 3 323.412 0.907 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC001133850880 765170760 /nfs/dbraw/zinc/17/07/60/765170760.db2.gz QHNDVRLBLGQNPI-BBRMVZONSA-N 1 3 323.412 0.907 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001133845286 765178661 /nfs/dbraw/zinc/17/86/61/765178661.db2.gz ALTSCWLRCQAWFE-QWRGUYRKSA-N 1 3 311.348 0.347 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845878 765180297 /nfs/dbraw/zinc/18/02/97/765180297.db2.gz PGROINARPUQWLS-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845878 765180299 /nfs/dbraw/zinc/18/02/99/765180299.db2.gz PGROINARPUQWLS-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO COC[C@H](C)[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856760 765183223 /nfs/dbraw/zinc/18/32/23/765183223.db2.gz PZXVUKQZYUIMDT-WFASDCNBSA-N 1 3 303.422 0.940 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C)N(C)C ZINC001133963734 765257213 /nfs/dbraw/zinc/25/72/13/765257213.db2.gz YJBYQQHFUIYGFW-LBPRGKRZSA-N 1 3 315.462 0.130 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1)N(C)C ZINC001133966192 765258348 /nfs/dbraw/zinc/25/83/48/765258348.db2.gz WYNZLNXWWHHXSY-GJZGRUSLSA-N 1 3 315.458 0.618 20 0 DCADHO C[C@@H](COCC(=O)NCCNCc1cncn1C)[NH+]1CCCC1 ZINC001134054787 765313527 /nfs/dbraw/zinc/31/35/27/765313527.db2.gz SCIRCYURDGWFHW-AWEZNQCLSA-N 1 3 323.441 0.127 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001115161897 765615871 /nfs/dbraw/zinc/61/58/71/765615871.db2.gz OZTIHFPHRFRLFH-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001115161897 765615876 /nfs/dbraw/zinc/61/58/76/765615876.db2.gz OZTIHFPHRFRLFH-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001134762997 765659316 /nfs/dbraw/zinc/65/93/16/765659316.db2.gz JXHAMQSDNPPRHZ-KBPBESRZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001134762997 765659320 /nfs/dbraw/zinc/65/93/20/765659320.db2.gz JXHAMQSDNPPRHZ-KBPBESRZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001134762999 765659646 /nfs/dbraw/zinc/65/96/46/765659646.db2.gz JXHAMQSDNPPRHZ-UONOGXRCSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001134762999 765659650 /nfs/dbraw/zinc/65/96/50/765659650.db2.gz JXHAMQSDNPPRHZ-UONOGXRCSA-N 1 3 310.442 0.234 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772487 765665053 /nfs/dbraw/zinc/66/50/53/765665053.db2.gz DYQLVDYQBGCALR-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC2CCCC2)CC1 ZINC001134780660 765671084 /nfs/dbraw/zinc/67/10/84/765671084.db2.gz QRKWSPKMHPNFCH-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001134782709 765672465 /nfs/dbraw/zinc/67/24/65/765672465.db2.gz JZSSNWCZJNMRBT-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC001117117241 765987254 /nfs/dbraw/zinc/98/72/54/765987254.db2.gz GTKVWXQYTSQUBQ-ZDUSSCGKSA-N 1 3 312.458 0.101 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001135742916 766084079 /nfs/dbraw/zinc/08/40/79/766084079.db2.gz AVBKKQBLVOWTLL-OLZOCXBDSA-N 1 3 310.446 0.530 20 0 DCADHO C[C@H](C[C@H](C)NCc1nccn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937848 766176309 /nfs/dbraw/zinc/17/63/09/766176309.db2.gz ASBFTDMEGXRYAR-UONOGXRCSA-N 1 3 319.453 0.889 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC001119402090 766663091 /nfs/dbraw/zinc/66/30/91/766663091.db2.gz MOBYOGIJLITYKI-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160688281 767018725 /nfs/dbraw/zinc/01/87/25/767018725.db2.gz AKLUPWOANOBAQB-ZIAGYGMSSA-N 1 3 317.437 0.990 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160688281 767018736 /nfs/dbraw/zinc/01/87/36/767018736.db2.gz AKLUPWOANOBAQB-ZIAGYGMSSA-N 1 3 317.437 0.990 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)Cn2cccn2)C[C@@H](C)O1 ZINC001120481205 767032630 /nfs/dbraw/zinc/03/26/30/767032630.db2.gz NMFUEOHUXNLTON-BZUAXINKSA-N 1 3 310.442 0.723 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)ncn1 ZINC001171225940 767049352 /nfs/dbraw/zinc/04/93/52/767049352.db2.gz BRUAJMHUWAJIIA-CQSZACIVSA-N 1 3 305.426 0.723 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[C@H]2CC[N@H+](C)C2)ncn1 ZINC001171225940 767049361 /nfs/dbraw/zinc/04/93/61/767049361.db2.gz BRUAJMHUWAJIIA-CQSZACIVSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001171253942 767298483 /nfs/dbraw/zinc/29/84/83/767298483.db2.gz NTEGUHVWQCGXRK-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001171254814 767302162 /nfs/dbraw/zinc/30/21/62/767302162.db2.gz UPDGEEZOTNWFJY-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO N[C@H](C(=O)N1CC[C@]2(C1)CC(F)(F)CO2)C1CC[NH2+]CC1 ZINC001160771845 767303696 /nfs/dbraw/zinc/30/36/96/767303696.db2.gz HQZZWYXIAKXVIJ-WCQYABFASA-N 1 3 303.353 0.340 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001146591520 767486170 /nfs/dbraw/zinc/48/61/70/767486170.db2.gz HJXARDLNIYQSJB-CHWSQXEVSA-N 1 3 310.446 0.528 20 0 DCADHO C[C@H](NCCCNC(=O)C12CC[NH+](CC1)C2)c1cnccn1 ZINC001171293015 767588000 /nfs/dbraw/zinc/58/80/00/767588000.db2.gz CMNISKGVGFJDOE-ZDUSSCGKSA-N 1 3 303.410 0.729 20 0 DCADHO O=C(CNCCNC(=O)C1CC[NH+](CC2CC2)CC1)N1CCC1 ZINC001147333345 767712081 /nfs/dbraw/zinc/71/20/81/767712081.db2.gz JNMZMICUMXXOIA-UHFFFAOYSA-N 1 3 322.453 0.047 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001147449586 767757407 /nfs/dbraw/zinc/75/74/07/767757407.db2.gz URWRDCZAKDJBDE-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO COCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725031 767831488 /nfs/dbraw/zinc/83/14/88/767831488.db2.gz QNGYAOPNDKOPOC-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO COCCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725031 767831495 /nfs/dbraw/zinc/83/14/95/767831495.db2.gz QNGYAOPNDKOPOC-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838946 768402877 /nfs/dbraw/zinc/40/28/77/768402877.db2.gz ZQABJKVKYBSKIL-HCBPCCMXSA-N 1 3 321.465 0.944 20 0 DCADHO CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838946 768402882 /nfs/dbraw/zinc/40/28/82/768402882.db2.gz ZQABJKVKYBSKIL-HCBPCCMXSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001093024704 768435572 /nfs/dbraw/zinc/43/55/72/768435572.db2.gz CJUOIWBZLQJWPV-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001093024704 768435576 /nfs/dbraw/zinc/43/55/76/768435576.db2.gz CJUOIWBZLQJWPV-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001093409649 768562539 /nfs/dbraw/zinc/56/25/39/768562539.db2.gz XBHWUAIQDGKGST-UHFFFAOYSA-N 1 3 322.409 0.074 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCF)CCCO1 ZINC001150620550 769142209 /nfs/dbraw/zinc/14/22/09/769142209.db2.gz RCBUMROLWZNACO-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1 ZINC001150620550 769142213 /nfs/dbraw/zinc/14/22/13/769142213.db2.gz RCBUMROLWZNACO-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccco1 ZINC001151064677 769248849 /nfs/dbraw/zinc/24/88/49/769248849.db2.gz CYGHIEYMMGBLOF-CHWSQXEVSA-N 1 3 322.409 0.114 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccco1 ZINC001151064677 769248854 /nfs/dbraw/zinc/24/88/54/769248854.db2.gz CYGHIEYMMGBLOF-CHWSQXEVSA-N 1 3 322.409 0.114 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CCC(C)CC1 ZINC001151065682 769251287 /nfs/dbraw/zinc/25/12/87/769251287.db2.gz MTTABVAJWJENKR-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CCC(C)CC1 ZINC001151065682 769251290 /nfs/dbraw/zinc/25/12/90/769251290.db2.gz MTTABVAJWJENKR-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(OC)nn1 ZINC001171758306 769367428 /nfs/dbraw/zinc/36/74/28/769367428.db2.gz WBJLSOULUFFURN-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO COCCCN1CCC([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001172250238 769465913 /nfs/dbraw/zinc/46/59/13/769465913.db2.gz VLICVCMVYFBMKF-UHFFFAOYSA-N 1 3 319.471 0.112 20 0 DCADHO COc1cccc2c1C[C@@H](NCCC[NH+](CCO)CCO)CO2 ZINC001173144923 769547334 /nfs/dbraw/zinc/54/73/34/769547334.db2.gz OJCYGZJJVCPLKZ-CQSZACIVSA-N 1 3 324.421 0.265 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001152445888 769558355 /nfs/dbraw/zinc/55/83/55/769558355.db2.gz QKHIQXFMUZDSGA-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001152457086 769563960 /nfs/dbraw/zinc/56/39/60/769563960.db2.gz BBPUMVJJNAEBKL-STQMWFEESA-N 1 3 319.396 0.991 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)C[C@@H]1C(=O)OC ZINC001173564337 769656428 /nfs/dbraw/zinc/65/64/28/769656428.db2.gz TVUFVTXMEOYINK-BTTYYORXSA-N 1 3 312.410 0.803 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)COCC[NH+](C)C)CC2)on1 ZINC001203349276 769735774 /nfs/dbraw/zinc/73/57/74/769735774.db2.gz KUZUMMKIQZVQRC-UHFFFAOYSA-N 1 3 324.425 0.642 20 0 DCADHO c1cc2n(c1CN1CCOC[C@]3(CCC[NH2+]C3)C1)CCNC2 ZINC001235005697 769740692 /nfs/dbraw/zinc/74/06/92/769740692.db2.gz DZFXIUCOVYWIKY-KRWDZBQOSA-N 1 3 304.438 0.793 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153308722 769778997 /nfs/dbraw/zinc/77/89/97/769778997.db2.gz CYJSCTIJNWNAGU-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO Cc1nnc(CNCCCC[C@@H](C)NC(=O)CC[NH+](C)C)[nH]1 ZINC001175047910 769855424 /nfs/dbraw/zinc/85/54/24/769855424.db2.gz DJWJAKXOEHWKRZ-GFCCVEGCSA-N 1 3 310.446 0.829 20 0 DCADHO [NH3+]CCCCN1C[C@@H](NC(=O)c2cnccn2)[C@@H]2OCCC[C@@H]21 ZINC001235571309 769896629 /nfs/dbraw/zinc/89/66/29/769896629.db2.gz VPYXSAYNONTACQ-ILXRZTDVSA-N 1 3 319.409 0.177 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cncnc3)C[C@H]1C2 ZINC001236025929 769970188 /nfs/dbraw/zinc/97/01/88/769970188.db2.gz GDCSXDYGJKTVEE-CTASWTNQSA-N 1 3 302.378 0.307 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150554557 770057691 /nfs/dbraw/zinc/05/76/91/770057691.db2.gz UPMAVXWKKCITOP-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCCF)CCCO1 ZINC001150554557 770057701 /nfs/dbraw/zinc/05/77/01/770057701.db2.gz UPMAVXWKKCITOP-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc2c(N)n[nH]c2c1 ZINC001154180295 770102877 /nfs/dbraw/zinc/10/28/77/770102877.db2.gz HKBGXWILFOUTTK-UHFFFAOYSA-N 1 3 317.397 0.823 20 0 DCADHO NCCS(=O)(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001238636820 770122685 /nfs/dbraw/zinc/12/26/85/770122685.db2.gz UQPXMAYYDQPZEY-UHFFFAOYSA-N 1 3 319.471 0.003 20 0 DCADHO COc1cc(C)ccc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879011 770139942 /nfs/dbraw/zinc/13/99/42/770139942.db2.gz MXKUEVCRQRNPAO-UHFFFAOYSA-N 1 3 315.439 0.610 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155225856 770439233 /nfs/dbraw/zinc/43/92/33/770439233.db2.gz AMYRFUNFOQWUFE-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155225856 770439237 /nfs/dbraw/zinc/43/92/37/770439237.db2.gz AMYRFUNFOQWUFE-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255597 770450246 /nfs/dbraw/zinc/45/02/46/770450246.db2.gz VMORFBATDKCWOB-RBSFLKMASA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255597 770450251 /nfs/dbraw/zinc/45/02/51/770450251.db2.gz VMORFBATDKCWOB-RBSFLKMASA-N 1 3 315.458 0.162 20 0 DCADHO COc1ccnc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)c1 ZINC001155790939 770618893 /nfs/dbraw/zinc/61/88/93/770618893.db2.gz PICXEWMGVDTCFI-OAHLLOKOSA-N 1 3 306.410 0.780 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)nn1 ZINC001155790770 770619625 /nfs/dbraw/zinc/61/96/25/770619625.db2.gz NHGCHBBPSMMZRR-CYBMUJFWSA-N 1 3 307.398 0.175 20 0 DCADHO COC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150793295 770700014 /nfs/dbraw/zinc/70/00/14/770700014.db2.gz DWQWLLKBTGCIGQ-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO COC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150793295 770700021 /nfs/dbraw/zinc/70/00/21/770700021.db2.gz DWQWLLKBTGCIGQ-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715733 770846572 /nfs/dbraw/zinc/84/65/72/770846572.db2.gz GVJLRUZJJGLPKD-QEJZJMRPSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)CC[N@@H+]1C ZINC001178736284 770850142 /nfs/dbraw/zinc/85/01/42/770850142.db2.gz SRZGAIBIZWGJGN-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)CC[N@H+]1C ZINC001178736284 770850149 /nfs/dbraw/zinc/85/01/49/770850149.db2.gz SRZGAIBIZWGJGN-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cccc2c1CNC2=O ZINC001156559837 770855758 /nfs/dbraw/zinc/85/57/58/770855758.db2.gz PJBGYRZWLFCLJT-UHFFFAOYSA-N 1 3 317.393 0.607 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(=O)N(C)C ZINC001179303533 770983730 /nfs/dbraw/zinc/98/37/30/770983730.db2.gz GOTSTUCFCBTSIV-ZOBORPQBSA-N 1 3 310.442 0.136 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409283 771007485 /nfs/dbraw/zinc/00/74/85/771007485.db2.gz KOSGRJLAYCPJLC-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409283 771007493 /nfs/dbraw/zinc/00/74/93/771007493.db2.gz KOSGRJLAYCPJLC-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929797 771036141 /nfs/dbraw/zinc/03/61/41/771036141.db2.gz VHXRXBMXYNRLLU-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001179978498 771042761 /nfs/dbraw/zinc/04/27/61/771042761.db2.gz CUCZADQGJAZBCP-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001179978498 771042766 /nfs/dbraw/zinc/04/27/66/771042766.db2.gz CUCZADQGJAZBCP-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H]([NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001180158840 771072659 /nfs/dbraw/zinc/07/26/59/771072659.db2.gz RTTPTSWWBYYDJA-ZDUSSCGKSA-N 1 3 323.441 0.791 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180211315 771074898 /nfs/dbraw/zinc/07/48/98/771074898.db2.gz CQOHPALPMUYWEL-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001180372699 771114031 /nfs/dbraw/zinc/11/40/31/771114031.db2.gz HPZQIPAEXJQQPX-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(F)(F)F)C1 ZINC001181674271 771330557 /nfs/dbraw/zinc/33/05/57/771330557.db2.gz NPEAHDMKYXPWTO-NEPJUHHUSA-N 1 3 323.359 0.850 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H](CO)c1ccccc1 ZINC001181927964 771371968 /nfs/dbraw/zinc/37/19/68/771371968.db2.gz KHLHINGVLIXBRW-AWEZNQCLSA-N 1 3 306.410 0.826 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC001182034975 771392212 /nfs/dbraw/zinc/39/22/12/771392212.db2.gz XNGBQUBEMIDKMJ-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO COCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CCN(C)CC1 ZINC001182014941 771396548 /nfs/dbraw/zinc/39/65/48/771396548.db2.gz VTUYBAWRMJNSSV-INIZCTEOSA-N 1 3 309.454 0.897 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1CC(OC)(OC)C1 ZINC001182476798 771498718 /nfs/dbraw/zinc/49/87/18/771498718.db2.gz ZXAAEAKKOABWBW-UHFFFAOYSA-N 1 3 300.403 0.449 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCO)C1 ZINC001182615374 771522400 /nfs/dbraw/zinc/52/24/00/771522400.db2.gz XSLZQQNYXQDROF-BFYDXBDKSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001182933853 771585735 /nfs/dbraw/zinc/58/57/35/771585735.db2.gz PSUIUOOWJUALDI-DVOMOZLQSA-N 1 3 312.458 0.276 20 0 DCADHO Cn1cc(C[C@H](N)C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)c2ccccc21 ZINC001157539212 771627587 /nfs/dbraw/zinc/62/75/87/771627587.db2.gz ZOMZISLPXRFFOR-RDBSUJKOSA-N 1 3 304.369 0.556 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183254773 771630335 /nfs/dbraw/zinc/63/03/35/771630335.db2.gz FNZVKNUOYIVBEK-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183254773 771630339 /nfs/dbraw/zinc/63/03/39/771630339.db2.gz FNZVKNUOYIVBEK-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183268837 771631617 /nfs/dbraw/zinc/63/16/17/771631617.db2.gz YOOWPNGCEZXLOF-ZBFHGGJFSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001183648781 771675400 /nfs/dbraw/zinc/67/54/00/771675400.db2.gz ZEIYWEOXAMFFEE-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1=O ZINC001183765432 771698401 /nfs/dbraw/zinc/69/84/01/771698401.db2.gz SJUPWPZHERCNGS-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1=O ZINC001183765432 771698404 /nfs/dbraw/zinc/69/84/04/771698404.db2.gz SJUPWPZHERCNGS-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158031781 771717036 /nfs/dbraw/zinc/71/70/36/771717036.db2.gz OFDSURFJSJPWLA-WBVHZDCISA-N 1 3 308.470 0.662 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162278 771732441 /nfs/dbraw/zinc/73/24/41/771732441.db2.gz WPFHGYQULFMDQB-NOLJZWGESA-N 1 3 310.442 0.221 20 0 DCADHO O=C([C@@H]1CC[C@@H](C(F)(F)F)CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166703 771733136 /nfs/dbraw/zinc/73/31/36/771733136.db2.gz CAPXHFUHSPAUQY-WISYIIOYSA-N 1 3 321.343 0.364 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168491 771733713 /nfs/dbraw/zinc/73/37/13/771733713.db2.gz GNIKYCXJTBXSIU-AWEZNQCLSA-N 1 3 310.442 0.365 20 0 DCADHO O=C(N1C[C@H]2c3ccccc3CN[C@@H]2C1)C1(O)CC[NH2+]CC1 ZINC001158337637 771761922 /nfs/dbraw/zinc/76/19/22/771761922.db2.gz ZWLHCKIZXKJIPL-LSDHHAIUSA-N 1 3 301.390 0.199 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cc3n(n2)CCC3)CC[N@@H+]1C ZINC001158380325 771765641 /nfs/dbraw/zinc/76/56/41/771765641.db2.gz QBJMDDNUWBWGMW-CZUORRHYSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNCc2cc3n(n2)CCC3)CC[N@H+]1C ZINC001158380325 771765646 /nfs/dbraw/zinc/76/56/46/771765646.db2.gz QBJMDDNUWBWGMW-CZUORRHYSA-N 1 3 319.453 0.765 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379493 771765784 /nfs/dbraw/zinc/76/57/84/771765784.db2.gz ASKUSCIRUZOOMM-ZIAGYGMSSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158379493 771765787 /nfs/dbraw/zinc/76/57/87/771765787.db2.gz ASKUSCIRUZOOMM-ZIAGYGMSSA-N 1 3 305.426 0.721 20 0 DCADHO N[C@]1(C(=O)N2CCC[C@@H]3[NH2+]C[C@@H]32)CCc2cc(F)ccc2C1 ZINC001158422385 771772072 /nfs/dbraw/zinc/77/20/72/771772072.db2.gz KTAXEGLAUGUCJK-YQQAZPJKSA-N 1 3 303.381 0.975 20 0 DCADHO N[C@H](C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1)C1CCC(O)CC1 ZINC001158576248 771792039 /nfs/dbraw/zinc/79/20/39/771792039.db2.gz AUIPSYCXFQFENH-UTAXJDLNSA-N 1 3 313.417 0.400 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@H]2CF)CC1 ZINC001158582161 771793090 /nfs/dbraw/zinc/79/30/90/771793090.db2.gz LWOWMWFNZZHSER-MWLCHTKSSA-N 1 3 307.373 0.204 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)[C@@H]2CCCO[C@H]12 ZINC001159084388 771858167 /nfs/dbraw/zinc/85/81/67/771858167.db2.gz JKVOAWYRTHYFEJ-KBXIAJHMSA-N 1 3 311.426 0.108 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)C1 ZINC001185089751 771859737 /nfs/dbraw/zinc/85/97/37/771859737.db2.gz CTSCEQLIKQAXOI-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)C1 ZINC001185089751 771859742 /nfs/dbraw/zinc/85/97/42/771859742.db2.gz CTSCEQLIKQAXOI-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNCc1ccn(C)n1 ZINC001185073990 771864101 /nfs/dbraw/zinc/86/41/01/771864101.db2.gz WOTUNLXRWCKGAW-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229379 771882139 /nfs/dbraw/zinc/88/21/39/771882139.db2.gz DLIAITWARKTIAN-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408425 771916151 /nfs/dbraw/zinc/91/61/51/771916151.db2.gz SZXMSLWVRKAJDL-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](COCC(=O)N1CC[C@@H](NCCF)C1)[NH+]1CCCC1 ZINC001185742445 771951768 /nfs/dbraw/zinc/95/17/68/771951768.db2.gz LIZUMSHIMMBQPE-ZIAGYGMSSA-N 1 3 301.406 0.647 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2nccn2C)C1 ZINC001159845784 771967933 /nfs/dbraw/zinc/96/79/33/771967933.db2.gz GVNURJFKRBBVMO-OAHLLOKOSA-N 1 3 321.469 0.994 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCCNCc2nccn2C)C1 ZINC001159845784 771967936 /nfs/dbraw/zinc/96/79/36/771967936.db2.gz GVNURJFKRBBVMO-OAHLLOKOSA-N 1 3 321.469 0.994 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCCN2CCCC2=O)CCC1 ZINC001159861445 771969615 /nfs/dbraw/zinc/96/96/15/771969615.db2.gz PPPIVCXLZFSPLY-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1)C1CC1 ZINC001159916780 771976227 /nfs/dbraw/zinc/97/62/27/771976227.db2.gz SJYIXRCVQHVQJP-MRXNPFEDSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001159915019 771976477 /nfs/dbraw/zinc/97/64/77/771976477.db2.gz GCUBSIKIQVWYNY-OAHLLOKOSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1cnccn1 ZINC001159923452 771977485 /nfs/dbraw/zinc/97/74/85/771977485.db2.gz GPOWXCVDGWJIBH-SWLSCSKDSA-N 1 3 305.426 0.974 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)N1CCCCC1)C1CCC1 ZINC001159993348 771985771 /nfs/dbraw/zinc/98/57/71/771985771.db2.gz ZDJQKOWYRXGJRU-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)CN(C)C2CCC2)C1=O ZINC001159997089 771986471 /nfs/dbraw/zinc/98/64/71/771986471.db2.gz FPOOZAAVCVBNPT-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001160003138 771986708 /nfs/dbraw/zinc/98/67/08/771986708.db2.gz DUZJVLAWHVDCSK-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1CCC1 ZINC001160003627 771987150 /nfs/dbraw/zinc/98/71/50/771987150.db2.gz XNMPHBSFKIVSPA-UHFFFAOYSA-N 1 3 319.471 0.001 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001160426388 772035846 /nfs/dbraw/zinc/03/58/46/772035846.db2.gz FCAUWDGIBWEEKU-HNNXBMFYSA-N 1 3 307.442 0.967 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC[C@H](c3ccccc3)N2)C[C@H]1O ZINC001160656587 772089340 /nfs/dbraw/zinc/08/93/40/772089340.db2.gz ZFGIWERXZPCWDA-KLHDSHLOSA-N 1 3 303.406 0.790 20 0 DCADHO CN(C(=O)[C@H]1C[NH2+]CC12CNC2)[C@@H](C1CCC1)C(F)(F)F ZINC001160772805 772110328 /nfs/dbraw/zinc/11/03/28/772110328.db2.gz BAIALILMONNSOT-MNOVXSKESA-N 1 3 305.344 0.985 20 0 DCADHO NC(C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)C(F)(F)F ZINC001160782040 772110900 /nfs/dbraw/zinc/11/09/00/772110900.db2.gz ZAIGFXKIKPPQLX-DYEKYZERSA-N 1 3 313.323 0.876 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161082389 772163479 /nfs/dbraw/zinc/16/34/79/772163479.db2.gz ODIYBDHFXXYVSO-ZQDZILKHSA-N 1 3 324.469 0.417 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161082389 772163482 /nfs/dbraw/zinc/16/34/82/772163482.db2.gz ODIYBDHFXXYVSO-ZQDZILKHSA-N 1 3 324.469 0.417 20 0 DCADHO COC(=O)[C@@H]1CCCN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H]1C ZINC001161117213 772171452 /nfs/dbraw/zinc/17/14/52/772171452.db2.gz AVGHXNXZPQYOFL-MCIONIFRSA-N 1 3 313.442 0.846 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001161218439 772185518 /nfs/dbraw/zinc/18/55/18/772185518.db2.gz IGMYMXDAPWZXRF-XUWVNRHRSA-N 1 3 303.406 0.631 20 0 DCADHO C[C@H]1CN(C(=O)[C@H](c2ccco2)N2CCC([NH3+])CC2)C[C@H](C)N1 ZINC001161229829 772187295 /nfs/dbraw/zinc/18/72/95/772187295.db2.gz XIQMYDRARLLTTB-XEZPLFJOSA-N 1 3 320.437 0.953 20 0 DCADHO N[C@@H](C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC001161411830 772218601 /nfs/dbraw/zinc/21/86/01/772218601.db2.gz BESDHCVFUIYIIL-LXTVHRRPSA-N 1 3 323.437 0.443 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)CC12COC2 ZINC001161508372 772236728 /nfs/dbraw/zinc/23/67/28/772236728.db2.gz FBCOLCJCCAEBDD-KXUCPTDWSA-N 1 3 307.316 0.103 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C2CCC1CC2 ZINC001161604438 772253689 /nfs/dbraw/zinc/25/36/89/772253689.db2.gz NCDHMUPTSUUISC-WUCCLRPBSA-N 1 3 322.453 0.587 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001188139293 772270964 /nfs/dbraw/zinc/27/09/64/772270964.db2.gz KWMPAYIKGWCIHZ-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)n1 ZINC001188158002 772277169 /nfs/dbraw/zinc/27/71/69/772277169.db2.gz CGSAJTQFCOHVPZ-OAHLLOKOSA-N 1 3 322.457 0.426 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001188158473 772277250 /nfs/dbraw/zinc/27/72/50/772277250.db2.gz PMJRZFLYMBDKFJ-OAHLLOKOSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001188346863 772290614 /nfs/dbraw/zinc/29/06/14/772290614.db2.gz ZEDDVMCVFACDPN-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001188346134 772290702 /nfs/dbraw/zinc/29/07/02/772290702.db2.gz AJDFEIPSGFOFAL-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001189025590 772412400 /nfs/dbraw/zinc/41/24/00/772412400.db2.gz AOTLMUOZPKTNLY-LSDHHAIUSA-N 1 3 305.426 0.368 20 0 DCADHO CN1CCC[C@@H]1C(=O)N(CC[NH2+]CCO)CCc1ccccc1 ZINC001162746964 772415341 /nfs/dbraw/zinc/41/53/41/772415341.db2.gz KKKNPRIKHMWJOI-QGZVFWFLSA-N 1 3 319.449 0.734 20 0 DCADHO CC[C@H](C(=O)N(CC[NH2+]CCO)CCc1ccccc1)N(C)C ZINC001162841320 772423585 /nfs/dbraw/zinc/42/35/85/772423585.db2.gz QXXLIFPLUNIOTJ-QGZVFWFLSA-N 1 3 321.465 0.980 20 0 DCADHO CN1CCOc2c1cnnc2NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163088624 772459117 /nfs/dbraw/zinc/45/91/17/772459117.db2.gz ZFKJUPSSWBVEHG-NSHDSACASA-N 1 3 305.382 0.486 20 0 DCADHO CN1CCOc2c1cnnc2NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163088623 772459254 /nfs/dbraw/zinc/45/92/54/772459254.db2.gz ZFKJUPSSWBVEHG-LLVKDONJSA-N 1 3 305.382 0.486 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCC(F)F)C1 ZINC001189391002 772464055 /nfs/dbraw/zinc/46/40/55/772464055.db2.gz VGHVOVBWHDTYII-STQMWFEESA-N 1 3 319.396 0.895 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCC(F)F)C1 ZINC001189391002 772464056 /nfs/dbraw/zinc/46/40/56/772464056.db2.gz VGHVOVBWHDTYII-STQMWFEESA-N 1 3 319.396 0.895 20 0 DCADHO c1ncc([C@H]2CN3CCC2CC3)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163196704 772480800 /nfs/dbraw/zinc/48/08/00/772480800.db2.gz GNGXFIIHPLQHCA-JKIFEVAISA-N 1 3 315.421 0.829 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001189871371 772547728 /nfs/dbraw/zinc/54/77/28/772547728.db2.gz LROSTTXPVSJPJH-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO c1cc(C2C[NH2+]C2)nc(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001163649628 772552397 /nfs/dbraw/zinc/55/23/97/772552397.db2.gz BAPBNPNRAXBLKH-GOEBONIOSA-N 1 3 303.410 0.877 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163834292 772579982 /nfs/dbraw/zinc/57/99/82/772579982.db2.gz ZLTZPQFRSVTLRF-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001190149101 772590042 /nfs/dbraw/zinc/59/00/42/772590042.db2.gz RAWQDHQWIJNGBH-GVDBMIGSSA-N 1 3 321.465 0.897 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001190149101 772590046 /nfs/dbraw/zinc/59/00/46/772590046.db2.gz RAWQDHQWIJNGBH-GVDBMIGSSA-N 1 3 321.465 0.897 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165262063 772713158 /nfs/dbraw/zinc/71/31/58/772713158.db2.gz DKIDBDUWAVPHLS-UHFFFAOYSA-N 1 3 305.426 0.723 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001165465123 772740674 /nfs/dbraw/zinc/74/06/74/772740674.db2.gz UCZAGQSTXSSWHU-CYBMUJFWSA-N 1 3 324.469 0.611 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)ncn1 ZINC001166010046 772778398 /nfs/dbraw/zinc/77/83/98/772778398.db2.gz FUIRQNVGYSLPNJ-OAHLLOKOSA-N 1 3 307.442 0.967 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[N@H+]2CCC[C@@H]2C)nn1C ZINC001166634910 772832871 /nfs/dbraw/zinc/83/28/71/772832871.db2.gz YHFCHYPPAWTTOF-ZDUSSCGKSA-N 1 3 307.442 0.809 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[N@@H+]2CCC[C@@H]2C)nn1C ZINC001166634910 772832875 /nfs/dbraw/zinc/83/28/75/772832875.db2.gz YHFCHYPPAWTTOF-ZDUSSCGKSA-N 1 3 307.442 0.809 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)CN2CC[C@H](C)C2)C1=O ZINC001166678864 772840580 /nfs/dbraw/zinc/84/05/80/772840580.db2.gz WZFKPZMEKBSGIP-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)ncn1 ZINC001166690470 772840816 /nfs/dbraw/zinc/84/08/16/772840816.db2.gz BFGCGBMKYBABTB-IUODEOHRSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)ncn1 ZINC001166690470 772840818 /nfs/dbraw/zinc/84/08/18/772840818.db2.gz BFGCGBMKYBABTB-IUODEOHRSA-N 1 3 305.426 0.579 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001166707299 772845875 /nfs/dbraw/zinc/84/58/75/772845875.db2.gz FJSXLPPFEZVFRL-GXTWGEPZSA-N 1 3 321.425 0.279 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001166707299 772845877 /nfs/dbraw/zinc/84/58/77/772845877.db2.gz FJSXLPPFEZVFRL-GXTWGEPZSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001166709196 772846828 /nfs/dbraw/zinc/84/68/28/772846828.db2.gz YAFBVUYBPUHLSS-ZFWWWQNUSA-N 1 3 320.437 0.884 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001166709196 772846832 /nfs/dbraw/zinc/84/68/32/772846832.db2.gz YAFBVUYBPUHLSS-ZFWWWQNUSA-N 1 3 320.437 0.884 20 0 DCADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)CC(C)(C)C ZINC001166750337 772855564 /nfs/dbraw/zinc/85/55/64/772855564.db2.gz DFXSHIUQKGAXMJ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851735 772870935 /nfs/dbraw/zinc/87/09/35/772870935.db2.gz GBPSZGBHLFMLSR-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N(CC)CC)N(C)C ZINC001166858025 772871371 /nfs/dbraw/zinc/87/13/71/772871371.db2.gz KZMXPFFJXWXBSU-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO CCCC[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001203714553 772920677 /nfs/dbraw/zinc/92/06/77/772920677.db2.gz OHJBOEOPRKYDCY-HNNXBMFYSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001203925580 772929811 /nfs/dbraw/zinc/92/98/11/772929811.db2.gz SQMZODQQCDGJRR-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204798717 772962473 /nfs/dbraw/zinc/96/24/73/772962473.db2.gz MLRJRHMKDKUVIB-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)c1cc(CN2CCC[C@](O)(C[NH3+])CC2)ccc1O ZINC001205241185 772984123 /nfs/dbraw/zinc/98/41/23/772984123.db2.gz RIXLISARNIJQLM-MRXNPFEDSA-N 1 3 308.378 0.855 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001205516049 772997441 /nfs/dbraw/zinc/99/74/41/772997441.db2.gz MJDSLGIIVQRISC-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001205516107 772997723 /nfs/dbraw/zinc/99/77/23/772997723.db2.gz ORGHKYVGJHKTLK-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001206274244 773061576 /nfs/dbraw/zinc/06/15/76/773061576.db2.gz FWIVODQHNFSXFE-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1)C(N)=O ZINC001206301711 773064245 /nfs/dbraw/zinc/06/42/45/773064245.db2.gz PIHYSXAFSKTZDE-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001206954744 773147729 /nfs/dbraw/zinc/14/77/29/773147729.db2.gz VJJPRMVKCMAIFF-UHFFFAOYSA-N 1 3 315.458 0.164 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208014156 773372866 /nfs/dbraw/zinc/37/28/66/773372866.db2.gz NAVPYFGWVUPZTH-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208014156 773372869 /nfs/dbraw/zinc/37/28/69/773372869.db2.gz NAVPYFGWVUPZTH-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070819 773394793 /nfs/dbraw/zinc/39/47/93/773394793.db2.gz SFGOUSQQXFAZIO-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070819 773394801 /nfs/dbraw/zinc/39/48/01/773394801.db2.gz SFGOUSQQXFAZIO-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208338368 773437084 /nfs/dbraw/zinc/43/70/84/773437084.db2.gz XMRYAYBDBIXKQM-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491211 773476370 /nfs/dbraw/zinc/47/63/70/773476370.db2.gz BZAKWGSQKLGSAG-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CC(=O)N1CCC(C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208675709 773512344 /nfs/dbraw/zinc/51/23/44/773512344.db2.gz RTXDEABHVAOTEZ-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CC(=O)N1CCC(C[N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001208675709 773512350 /nfs/dbraw/zinc/51/23/50/773512350.db2.gz RTXDEABHVAOTEZ-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CCOC(=O)CCN1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001209035144 773555597 /nfs/dbraw/zinc/55/55/97/773555597.db2.gz BNWDSJQUAZSOAU-HUUCEWRRSA-N 1 3 314.426 0.609 20 0 DCADHO CCOC(=O)CCN1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001209035144 773555599 /nfs/dbraw/zinc/55/55/99/773555599.db2.gz BNWDSJQUAZSOAU-HUUCEWRRSA-N 1 3 314.426 0.609 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001209322864 773591107 /nfs/dbraw/zinc/59/11/07/773591107.db2.gz AJBGORLQLOZEBP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc([C@H](C)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209456283 773607397 /nfs/dbraw/zinc/60/73/97/773607397.db2.gz YOOOEPVEQQWIRL-WCQYABFASA-N 1 3 308.430 0.706 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001209643875 773629429 /nfs/dbraw/zinc/62/94/29/773629429.db2.gz XFUCTQVMWSRIJI-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643698 773629799 /nfs/dbraw/zinc/62/97/99/773629799.db2.gz VMGNXQSVAKJSIF-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001209670344 773632641 /nfs/dbraw/zinc/63/26/41/773632641.db2.gz ZHYSECOSZOTFRI-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673681 773728940 /nfs/dbraw/zinc/72/89/40/773728940.db2.gz GBDSLSJNQDMYNV-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673681 773728944 /nfs/dbraw/zinc/72/89/44/773728944.db2.gz GBDSLSJNQDMYNV-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001210790520 773739081 /nfs/dbraw/zinc/73/90/81/773739081.db2.gz YFZQKRPNQJTOAB-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211071686 773765931 /nfs/dbraw/zinc/76/59/31/773765931.db2.gz LCHNBHZSCHGOIZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211071686 773765935 /nfs/dbraw/zinc/76/59/35/773765935.db2.gz LCHNBHZSCHGOIZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262344 773787131 /nfs/dbraw/zinc/78/71/31/773787131.db2.gz PAOVIUSAHSOTLJ-GDBMZVCRSA-N 1 3 324.469 0.433 20 0 DCADHO COCCOCC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211275696 773789328 /nfs/dbraw/zinc/78/93/28/773789328.db2.gz AZDJGELOFKUSMU-HNNXBMFYSA-N 1 3 315.458 0.570 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197792650 773800685 /nfs/dbraw/zinc/80/06/85/773800685.db2.gz PJBMXGZZXICYST-POMZPUPMSA-N 1 3 309.454 0.846 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197792650 773800691 /nfs/dbraw/zinc/80/06/91/773800691.db2.gz PJBMXGZZXICYST-POMZPUPMSA-N 1 3 309.454 0.846 20 0 DCADHO CO[C@@H]1CN(CC[C@H](C)F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348708 773836752 /nfs/dbraw/zinc/83/67/52/773836752.db2.gz SJOGVWIJSMBBCE-BFHYXJOUSA-N 1 3 303.422 0.892 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H]1COc2ccccc2O1 ZINC001152433182 773893519 /nfs/dbraw/zinc/89/35/19/773893519.db2.gz WPOPKRFRYKOESB-AWEZNQCLSA-N 1 3 321.421 0.872 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC001203925011 774019680 /nfs/dbraw/zinc/01/96/80/774019680.db2.gz IKRSXWZUIYNRQR-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456487 774073808 /nfs/dbraw/zinc/07/38/08/774073808.db2.gz XMUIGPOSVQPEIL-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536064 774081553 /nfs/dbraw/zinc/08/15/53/774081553.db2.gz GJJSXODGVPYQDY-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001215540641 774081857 /nfs/dbraw/zinc/08/18/57/774081857.db2.gz OOYFAILOBVDRHY-UMVBOHGHSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536594 774081865 /nfs/dbraw/zinc/08/18/65/774081865.db2.gz UPZTWLHDQUNSRP-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCN(c2ccncc2C(=O)N2CC(C)([NH+](C)C)C2)CC1 ZINC001199358220 774095924 /nfs/dbraw/zinc/09/59/24/774095924.db2.gz ZCVXCHKUAUIJJJ-UHFFFAOYSA-N 1 3 317.437 0.610 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001216844811 774142167 /nfs/dbraw/zinc/14/21/67/774142167.db2.gz KIWDSMBYTKXGAN-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001216851989 774143856 /nfs/dbraw/zinc/14/38/56/774143856.db2.gz MTDFABHWCFKTLQ-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2C[NH2+]C[C@@H]2F)c1 ZINC001218017006 774209234 /nfs/dbraw/zinc/20/92/34/774209234.db2.gz LXVFOVMNTMZIFD-MJVIPROJSA-N 1 3 311.357 0.039 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(OC2CC3(CC[NH2+]3)C2)c1 ZINC001218246816 774219184 /nfs/dbraw/zinc/21/91/84/774219184.db2.gz XMJWKKAZRZACLE-JZLYGMAVSA-N 1 3 319.405 0.624 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC001199826855 774219226 /nfs/dbraw/zinc/21/92/26/774219226.db2.gz OTJPJUOHJPDEOC-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1cc(C[C@H](C)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)on1 ZINC001218502473 774230427 /nfs/dbraw/zinc/23/04/27/774230427.db2.gz ZGVCOXABFLNIIX-SMDDNHRTSA-N 1 3 306.410 0.904 20 0 DCADHO Cc1cc(C[C@H](C)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)on1 ZINC001218502473 774230428 /nfs/dbraw/zinc/23/04/28/774230428.db2.gz ZGVCOXABFLNIIX-SMDDNHRTSA-N 1 3 306.410 0.904 20 0 DCADHO COc1ccc2nc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)nnc2c1 ZINC001218512306 774232843 /nfs/dbraw/zinc/23/28/43/774232843.db2.gz IOTDUXDXGXRAFO-ZDUSSCGKSA-N 1 3 316.365 0.299 20 0 DCADHO COc1ccc(-c2ccccn2)nc1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218519826 774235377 /nfs/dbraw/zinc/23/53/77/774235377.db2.gz FICYMLOPPAHKEO-MFKMUULPSA-N 1 3 313.361 0.780 20 0 DCADHO O=C(Nc1cncc(C(F)(F)F)n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218592718 774258340 /nfs/dbraw/zinc/25/83/40/774258340.db2.gz JVJRIRVKSUNFDQ-PRHODGIISA-N 1 3 315.299 0.633 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)n1c(Cl)ncc(N)c1=N ZINC001218620633 774266038 /nfs/dbraw/zinc/26/60/38/774266038.db2.gz CGEDIKMEYRPUAR-QMMMGPOBSA-N 1 3 300.794 0.298 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1nc(Cl)c(Cl)nc1CO ZINC001218654406 774273753 /nfs/dbraw/zinc/27/37/53/774273753.db2.gz KKEQKSMYMJLZPX-RXMQYKEDSA-N 1 3 308.169 0.280 20 0 DCADHO C[C@H]1CCc2sc(NC(=O)[C@@H](N)CCC[NH3+])c(C(N)=O)c2C1 ZINC001218706809 774284785 /nfs/dbraw/zinc/28/47/85/774284785.db2.gz AWMHUNSBUIBORD-WPRPVWTQSA-N 1 3 324.450 0.977 20 0 DCADHO CCOC(=O)c1c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)ccn1CC ZINC001218718665 774288539 /nfs/dbraw/zinc/28/85/39/774288539.db2.gz RWHTWPFHVPNGMC-ZDUSSCGKSA-N 1 3 322.409 0.950 20 0 DCADHO [NH3+]C1CCN(c2ccc(NC(=O)C[C@H]3CNCCO3)cn2)CC1 ZINC001218725179 774289362 /nfs/dbraw/zinc/28/93/62/774289362.db2.gz SKSKXVPNFGEXGI-AWEZNQCLSA-N 1 3 319.409 0.326 20 0 DCADHO COc1nc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc2ccccc21 ZINC001218758169 774298981 /nfs/dbraw/zinc/29/89/81/774298981.db2.gz AUPZZWLZLNLEHE-ZDUSSCGKSA-N 1 3 312.373 0.991 20 0 DCADHO Cc1cc(NC(=O)[C@@H](N)CCC[NH3+])ccc1N1CCOCC1 ZINC001218874671 774318806 /nfs/dbraw/zinc/31/88/06/774318806.db2.gz WHALCXFAINQHOC-AWEZNQCLSA-N 1 3 306.410 0.836 20 0 DCADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1CCC2(CNC2)O1 ZINC001218936465 774331732 /nfs/dbraw/zinc/33/17/32/774331732.db2.gz AAGVSPLZFUSKPE-OAHLLOKOSA-N 1 3 301.390 0.834 20 0 DCADHO N[C@@H](C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O)C1CC[NH2+]CC1 ZINC001218991166 774343364 /nfs/dbraw/zinc/34/33/64/774343364.db2.gz QCVTYNAGMPDZKM-GFCCVEGCSA-N 1 3 317.349 0.306 20 0 DCADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029908 774349759 /nfs/dbraw/zinc/34/97/59/774349759.db2.gz STEJNPOKLKCJPR-DZGCQCFKSA-N 1 3 319.361 0.258 20 0 DCADHO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029909 774350009 /nfs/dbraw/zinc/35/00/09/774350009.db2.gz STEJNPOKLKCJPR-HIFRSBDPSA-N 1 3 319.361 0.258 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066907 774441757 /nfs/dbraw/zinc/44/17/57/774441757.db2.gz SQWGNAMIOLMLEO-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@H](C(=O)N1CCCO[C@@H](CNCCF)C1)[NH+](C)C ZINC001201343314 774496547 /nfs/dbraw/zinc/49/65/47/774496547.db2.gz CTNXRQKLNSMHOG-UONOGXRCSA-N 1 3 303.422 0.749 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCF)C2)C1 ZINC001201420644 774507093 /nfs/dbraw/zinc/50/70/93/774507093.db2.gz NLIOZSURYGPTOI-CQSZACIVSA-N 1 3 315.433 0.895 20 0 DCADHO CC(C)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219552100 774534186 /nfs/dbraw/zinc/53/41/86/774534186.db2.gz SKLUREXRJKJNBJ-IHRRRGAJSA-N 1 3 312.458 0.594 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)C1 ZINC001219648791 774572193 /nfs/dbraw/zinc/57/21/93/774572193.db2.gz AARABXWPNMDQQX-YNEHKIRRSA-N 1 3 313.442 0.797 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCCF)C1 ZINC001201930101 774572710 /nfs/dbraw/zinc/57/27/10/774572710.db2.gz AQNGWDBPXCCDFS-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1cc2c(s1)CNCC2 ZINC001219739686 774595313 /nfs/dbraw/zinc/59/53/13/774595313.db2.gz VHBGMAPLSRLTTA-NSHDSACASA-N 1 3 307.419 0.502 20 0 DCADHO NCc1ccc(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)cn1 ZINC001219746301 774597270 /nfs/dbraw/zinc/59/72/70/774597270.db2.gz IHGOZNVNIQSOOC-CQSZACIVSA-N 1 3 304.394 0.571 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202165024 774610469 /nfs/dbraw/zinc/61/04/69/774610469.db2.gz OYVVJFKUZXJPLY-CQSZACIVSA-N 1 3 301.431 0.180 20 0 DCADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1csc2c1CCNC2 ZINC001219803426 774613992 /nfs/dbraw/zinc/61/39/92/774613992.db2.gz UBJJVWHCSAQMCB-LLVKDONJSA-N 1 3 321.446 0.892 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219854461 774629171 /nfs/dbraw/zinc/62/91/71/774629171.db2.gz IYVHQRGVGWJOJY-FXUDXRNXSA-N 1 3 319.405 0.058 20 0 DCADHO Cn1cc(Br)cc(NC(=O)[C@H](N)CCC[NH3+])c1=O ZINC001219881180 774635063 /nfs/dbraw/zinc/63/50/63/774635063.db2.gz RWRJFTCFPTXJNP-MRVPVSSYSA-N 1 3 317.187 0.153 20 0 DCADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001219891246 774638397 /nfs/dbraw/zinc/63/83/97/774638397.db2.gz QPFSUSWRYHVMNE-DZKIICNBSA-N 1 3 310.442 0.219 20 0 DCADHO COc1ccc(O[C@H](C)CNC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001219945552 774653862 /nfs/dbraw/zinc/65/38/62/774653862.db2.gz MREQUJOZAZNGIX-WBMJQRKESA-N 1 3 321.421 0.906 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163962 774715715 /nfs/dbraw/zinc/71/57/15/774715715.db2.gz XFNPSNSBPZNSSG-NXXNRAFRSA-N 1 3 301.456 0.121 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220164214 774716058 /nfs/dbraw/zinc/71/60/58/774716058.db2.gz ZLTQOCVZOLOURC-UICACZKSSA-N 1 3 324.469 0.515 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220251883 774746820 /nfs/dbraw/zinc/74/68/20/774746820.db2.gz ITYYPIIGSXVVSA-OLZOCXBDSA-N 1 3 313.442 0.907 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220251883 774746827 /nfs/dbraw/zinc/74/68/27/774746827.db2.gz ITYYPIIGSXVVSA-OLZOCXBDSA-N 1 3 313.442 0.907 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220252376 774746983 /nfs/dbraw/zinc/74/69/83/774746983.db2.gz YIEMFNUBIAGDFD-IHRRRGAJSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220252376 774746987 /nfs/dbraw/zinc/74/69/87/774746987.db2.gz YIEMFNUBIAGDFD-IHRRRGAJSA-N 1 3 312.458 0.465 20 0 DCADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n(N)c(=O)c1 ZINC001220323628 774772272 /nfs/dbraw/zinc/77/22/72/774772272.db2.gz JBKSXYMCPFHSAN-LBPRGKRZSA-N 1 3 309.414 0.305 20 0 DCADHO COc1cc2c(cc1C)C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001220378545 774787038 /nfs/dbraw/zinc/78/70/38/774787038.db2.gz BKQUOTDRQFJXBY-RDJZCZTQSA-N 1 3 317.433 0.914 20 0 DCADHO CCOC(=O)c1cccc(CNC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001220402820 774796323 /nfs/dbraw/zinc/79/63/23/774796323.db2.gz DDSPDBXPTQYBHS-LBPRGKRZSA-N 1 3 308.382 0.331 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@]2(C(C)C)CCC[NH2+]C2)CCNC1 ZINC001220522883 774836160 /nfs/dbraw/zinc/83/61/60/774836160.db2.gz GXLRNBPKKZLCGN-QGZVFWFLSA-N 1 3 323.437 0.939 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)C1CCC1 ZINC001114414012 774851133 /nfs/dbraw/zinc/85/11/33/774851133.db2.gz KVFQVEDVDWIYQH-QLPKVWCKSA-N 1 3 317.437 0.414 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)C1CCC1 ZINC001114414012 774851140 /nfs/dbraw/zinc/85/11/40/774851140.db2.gz KVFQVEDVDWIYQH-QLPKVWCKSA-N 1 3 317.437 0.414 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCOC)C[C@H]21)N(C)C ZINC001114464570 774883115 /nfs/dbraw/zinc/88/31/15/774883115.db2.gz WCMGZOQFSKRELH-BARDWOONSA-N 1 3 313.442 0.036 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCOC)C[C@H]21)N(C)C ZINC001114464570 774883125 /nfs/dbraw/zinc/88/31/25/774883125.db2.gz WCMGZOQFSKRELH-BARDWOONSA-N 1 3 313.442 0.036 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(C)C)CC1)N(C)C ZINC001202532205 774887759 /nfs/dbraw/zinc/88/77/59/774887759.db2.gz VBAMRSKLDRLLKV-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220709268 774896945 /nfs/dbraw/zinc/89/69/45/774896945.db2.gz VJMIWPLTBGOJAG-JQWIXIFHSA-N 1 3 310.785 0.386 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755463 774909208 /nfs/dbraw/zinc/90/92/08/774909208.db2.gz PJBMXGZZXICYST-BECQNTKZSA-N 1 3 309.454 0.846 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755463 774909211 /nfs/dbraw/zinc/90/92/11/774909211.db2.gz PJBMXGZZXICYST-BECQNTKZSA-N 1 3 309.454 0.846 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CNC[C@H](F)C1 ZINC001220790104 774916636 /nfs/dbraw/zinc/91/66/36/774916636.db2.gz OSKXSDTZOLVBCU-BYNSBNAKSA-N 1 3 306.385 0.796 20 0 DCADHO N[C@@H](C(=O)NCc1cc(F)cnc1Cl)C1CC[NH2+]CC1 ZINC001220810420 774921691 /nfs/dbraw/zinc/92/16/91/774921691.db2.gz GKXYYCPQAKDMTA-LLVKDONJSA-N 1 3 300.765 0.817 20 0 DCADHO O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC001220808803 774921824 /nfs/dbraw/zinc/92/18/24/774921824.db2.gz XAVVDXWMPMIBEO-WPRPVWTQSA-N 1 3 317.315 0.326 20 0 DCADHO CC[C@@H](CN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1)OC ZINC001220809327 774921846 /nfs/dbraw/zinc/92/18/46/774921846.db2.gz SSLKZHNKNDLBBO-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO NC[C@H](N)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220974842 774967989 /nfs/dbraw/zinc/96/79/89/774967989.db2.gz KEQHWCRFNATQRE-AWEZNQCLSA-N 1 3 308.401 0.140 20 0 DCADHO COc1ncccc1[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001221022139 774981735 /nfs/dbraw/zinc/98/17/35/774981735.db2.gz UKSJSRWEZPVORG-GJZGRUSLSA-N 1 3 318.421 0.984 20 0 DCADHO O=C(N[C@@H](c1ccnc(F)c1)C1CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221053708 774985594 /nfs/dbraw/zinc/98/55/94/774985594.db2.gz JHMIWBVZBYFXMO-GXTWGEPZSA-N 1 3 304.369 0.597 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H](c1ccnc(F)c1)C1CC1 ZINC001221054198 774985598 /nfs/dbraw/zinc/98/55/98/774985598.db2.gz XEDGZPQWYWUQEI-AAEUAGOBSA-N 1 3 312.414 0.807 20 0 DCADHO Cc1cccc([C@@H](CO)NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001221192240 775022347 /nfs/dbraw/zinc/02/23/47/775022347.db2.gz KQSGRVKANDOPMO-BFYDXBDKSA-N 1 3 303.406 0.344 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221245797 775041852 /nfs/dbraw/zinc/04/18/52/775041852.db2.gz DEGNYJLATNAJBU-GOEBONIOSA-N 1 3 305.426 0.328 20 0 DCADHO N[C@H](C(=O)NC[C@H]1c2ccccc2NC1=O)C1CC[NH2+]CC1 ZINC001221309238 775064105 /nfs/dbraw/zinc/06/41/05/775064105.db2.gz MHMITWMFRJXWQS-JSGCOSHPSA-N 1 3 302.378 0.165 20 0 DCADHO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)[C@H](N)CCC[NH3+])C1 ZINC001221365231 775077125 /nfs/dbraw/zinc/07/71/25/775077125.db2.gz YAPOHMSHYGTTTM-IJLUTSLNSA-N 1 3 314.430 0.615 20 0 DCADHO O=C(N[C@H](c1ccccc1)c1cccnn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221386824 775082944 /nfs/dbraw/zinc/08/29/44/775082944.db2.gz WPEYNEGQLCFYED-GOEBONIOSA-N 1 3 323.400 0.491 20 0 DCADHO CO[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221391135 775083087 /nfs/dbraw/zinc/08/30/87/775083087.db2.gz BKKHMXHGLJEWGR-GDBMZVCRSA-N 1 3 320.437 0.322 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CNC[C@H](F)C3)CC2)[NH2+]C1 ZINC001221390262 775083773 /nfs/dbraw/zinc/08/37/73/775083773.db2.gz CIJJOMYPXZXLJJ-QWHCGFSZSA-N 1 3 308.401 0.502 20 0 DCADHO CN1CCC(CO)(NC(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)CC1 ZINC001221403062 775087706 /nfs/dbraw/zinc/08/77/06/775087706.db2.gz PKIHABOUKNSODY-INIZCTEOSA-N 1 3 317.433 0.302 20 0 DCADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H](N)Cc2c[nH]cn2)c1 ZINC001221403623 775088206 /nfs/dbraw/zinc/08/82/06/775088206.db2.gz CZMPXLNNAPDSRW-KGLIPLIRSA-N 1 3 303.366 0.104 20 0 DCADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)[C@H](C)C1 ZINC001221407798 775090565 /nfs/dbraw/zinc/09/05/65/775090565.db2.gz MTYXXAYZUYHSLI-QDVDLPMUSA-N 1 3 303.472 0.317 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)[C@H](C)C1 ZINC001221407798 775090558 /nfs/dbraw/zinc/09/05/58/775090558.db2.gz MTYXXAYZUYHSLI-QDVDLPMUSA-N 1 3 303.472 0.317 20 0 DCADHO O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1CNCc2ccnn2C1 ZINC001221410162 775091280 /nfs/dbraw/zinc/09/12/80/775091280.db2.gz QCBZBOBSPBNSEZ-DZGCQCFKSA-N 1 3 303.410 0.107 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225578659 775696815 /nfs/dbraw/zinc/69/68/15/775696815.db2.gz YWBBXBCJLYRLRP-OAHLLOKOSA-N 1 3 315.458 0.162 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226876091 775889060 /nfs/dbraw/zinc/88/90/60/775889060.db2.gz CBRHAPMFTNIASM-RRFJBIMHSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226876091 775889067 /nfs/dbraw/zinc/88/90/67/775889067.db2.gz CBRHAPMFTNIASM-RRFJBIMHSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1)N(C)C ZINC001228660251 776110065 /nfs/dbraw/zinc/11/00/65/776110065.db2.gz BDLQRIKBAHVBTA-KFWWJZLASA-N 1 3 324.469 0.622 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001229184808 776166734 /nfs/dbraw/zinc/16/67/34/776166734.db2.gz CAGIDGCONHTBMR-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114835894 776208225 /nfs/dbraw/zinc/20/82/25/776208225.db2.gz SNDUMPJQIWTYGQ-LJIGWXMPSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114835894 776208230 /nfs/dbraw/zinc/20/82/30/776208230.db2.gz SNDUMPJQIWTYGQ-LJIGWXMPSA-N 1 3 309.454 0.800 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C ZINC001229859879 776231095 /nfs/dbraw/zinc/23/10/95/776231095.db2.gz GTRQYUMXZCSHTC-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21)N(C)C ZINC001114848484 776242649 /nfs/dbraw/zinc/24/26/49/776242649.db2.gz AFIZOHUFHWUQMH-XUWVNRHRSA-N 1 3 319.453 0.349 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21)N(C)C ZINC001114848484 776242653 /nfs/dbraw/zinc/24/26/53/776242653.db2.gz AFIZOHUFHWUQMH-XUWVNRHRSA-N 1 3 319.453 0.349 20 0 DCADHO C[NH+](C)CCCCC(=O)NC1CCN(CCOCCO)CC1 ZINC001230090487 776250510 /nfs/dbraw/zinc/25/05/10/776250510.db2.gz MHHXNZNEPGQWPM-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041711072 777443419 /nfs/dbraw/zinc/44/34/19/777443419.db2.gz BTAJKSANRAIFBZ-CJNGLKHVSA-N 1 3 306.410 0.912 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041711072 777443421 /nfs/dbraw/zinc/44/34/21/777443421.db2.gz BTAJKSANRAIFBZ-CJNGLKHVSA-N 1 3 306.410 0.912 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001417277498 939168295 /nfs/dbraw/zinc/16/82/95/939168295.db2.gz BVXCLGISDZPIOK-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001417277498 939168297 /nfs/dbraw/zinc/16/82/97/939168297.db2.gz BVXCLGISDZPIOK-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702279 939215123 /nfs/dbraw/zinc/21/51/23/939215123.db2.gz VSRKFWJIITWBKS-HNNXBMFYSA-N 1 3 324.469 0.148 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCN1CCCC1=O ZINC001266971690 939294816 /nfs/dbraw/zinc/29/48/16/939294816.db2.gz OJKQPKQUCHAUHC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C1CCC1 ZINC001267168479 939367993 /nfs/dbraw/zinc/36/79/93/939367993.db2.gz BXUNDKLRHSQAQK-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CN(C)C1CCC1 ZINC001267168479 939367997 /nfs/dbraw/zinc/36/79/97/939367997.db2.gz BXUNDKLRHSQAQK-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001408577088 939373162 /nfs/dbraw/zinc/37/31/62/939373162.db2.gz IBEPJDIMCXAIQB-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CN1CCC[C@H](N2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001481107722 939563182 /nfs/dbraw/zinc/56/31/82/939563182.db2.gz HIWLPUTXFZWNKE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)CCC1 ZINC001481629339 939980788 /nfs/dbraw/zinc/98/07/88/939980788.db2.gz FLLUMHPFMZPNMP-WBVHZDCISA-N 1 3 321.465 0.945 20 0 DCADHO COc1nccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCN2C)n1 ZINC001268391701 940099989 /nfs/dbraw/zinc/09/99/89/940099989.db2.gz NLIYXGFXPYERIX-GXTWGEPZSA-N 1 3 321.425 0.564 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCN(C)C1=O ZINC001481845204 940157802 /nfs/dbraw/zinc/15/78/02/940157802.db2.gz BLYJFMRRRPNTHM-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482064968 940241848 /nfs/dbraw/zinc/24/18/48/940241848.db2.gz AGFFGLOHIOSMNU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482064968 940241849 /nfs/dbraw/zinc/24/18/49/940241849.db2.gz AGFFGLOHIOSMNU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1cnnn1C ZINC001482140960 940281202 /nfs/dbraw/zinc/28/12/02/940281202.db2.gz ABHXUBGIYRJGPJ-CYBMUJFWSA-N 1 3 324.473 0.635 20 0 DCADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246088037 945334669 /nfs/dbraw/zinc/33/46/69/945334669.db2.gz HXICCSDGLGIZQG-GUIRCDHDSA-N 1 3 302.390 0.760 20 0 DCADHO CCOC(=O)N1CCC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246082859 945335111 /nfs/dbraw/zinc/33/51/11/945335111.db2.gz MXCMHGRBEISJCD-KCQAQPDRSA-N 1 3 317.405 0.650 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001482282856 940887600 /nfs/dbraw/zinc/88/76/00/940887600.db2.gz ADXOSOMTQWZCRJ-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001482282856 940887601 /nfs/dbraw/zinc/88/76/01/940887601.db2.gz ADXOSOMTQWZCRJ-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001482288617 940899261 /nfs/dbraw/zinc/89/92/61/940899261.db2.gz NKDDBKMAXYKIIC-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001482288617 940899267 /nfs/dbraw/zinc/89/92/67/940899267.db2.gz NKDDBKMAXYKIIC-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCOC(=O)[C@](C)(O)CN1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001363784197 940931532 /nfs/dbraw/zinc/93/15/32/940931532.db2.gz KIQVEDPMOSNLRU-GOEBONIOSA-N 1 3 316.442 0.733 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001270616968 940936473 /nfs/dbraw/zinc/93/64/73/940936473.db2.gz CFAAIUKHGNUOIJ-OAHLLOKOSA-N 1 3 317.437 0.512 20 0 DCADHO C[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001270616968 940936475 /nfs/dbraw/zinc/93/64/75/940936475.db2.gz CFAAIUKHGNUOIJ-OAHLLOKOSA-N 1 3 317.437 0.512 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365895 941023479 /nfs/dbraw/zinc/02/34/79/941023479.db2.gz ZCULWWJZLCUBTA-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482365895 941023482 /nfs/dbraw/zinc/02/34/82/941023482.db2.gz ZCULWWJZLCUBTA-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1)N(C)C ZINC001271148792 941290300 /nfs/dbraw/zinc/29/03/00/941290300.db2.gz RAUPZUNALZJOSE-RDJZCZTQSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1)N(C)C ZINC001271148792 941290302 /nfs/dbraw/zinc/29/03/02/941290302.db2.gz RAUPZUNALZJOSE-RDJZCZTQSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1)N(C)C ZINC001271148790 941290555 /nfs/dbraw/zinc/29/05/55/941290555.db2.gz RAUPZUNALZJOSE-DOTOQJQBSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1)N(C)C ZINC001271148790 941290556 /nfs/dbraw/zinc/29/05/56/941290556.db2.gz RAUPZUNALZJOSE-DOTOQJQBSA-N 1 3 310.486 0.813 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC001409070393 941311823 /nfs/dbraw/zinc/31/18/23/941311823.db2.gz INBGVMFTSDSKOY-KCQAQPDRSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC001409070393 941311825 /nfs/dbraw/zinc/31/18/25/941311825.db2.gz INBGVMFTSDSKOY-KCQAQPDRSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN1CCCC1 ZINC001271209577 941322731 /nfs/dbraw/zinc/32/27/31/941322731.db2.gz UZUDRVBWPQMLNN-CQSZACIVSA-N 1 3 307.442 0.495 20 0 DCADHO C[C@@H]([NH2+]CCCO)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271540153 941399213 /nfs/dbraw/zinc/39/92/13/941399213.db2.gz PUIOTHDXMNCKNK-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)N1CC[C@H]1C(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001271927869 941482223 /nfs/dbraw/zinc/48/22/23/941482223.db2.gz VGOQJRACPDEBMF-HNNXBMFYSA-N 1 3 308.470 0.565 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001409194615 941576119 /nfs/dbraw/zinc/57/61/19/941576119.db2.gz KLXZWGVGRCVVAF-SOUVJXGZSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnn(C)c1)N(C)C ZINC001482845063 941688232 /nfs/dbraw/zinc/68/82/32/941688232.db2.gz NTPLRDJEKRQVCI-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001482899144 941701349 /nfs/dbraw/zinc/70/13/49/941701349.db2.gz LWUVUEWVZUFXBP-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)ncn1 ZINC001482899144 941701351 /nfs/dbraw/zinc/70/13/51/941701351.db2.gz LWUVUEWVZUFXBP-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482931686 941711051 /nfs/dbraw/zinc/71/10/51/941711051.db2.gz UQZRGRXAUDGTBJ-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001409264228 941803257 /nfs/dbraw/zinc/80/32/57/941803257.db2.gz GLTKDSWWLXARRE-HIFPTAJRSA-N 1 3 310.442 0.090 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001409264354 941803831 /nfs/dbraw/zinc/80/38/31/941803831.db2.gz IXPFZOCXTYEKGH-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409305879 941886652 /nfs/dbraw/zinc/88/66/52/941886652.db2.gz KKSGNVFQUJVKRX-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409305879 941886656 /nfs/dbraw/zinc/88/66/56/941886656.db2.gz KKSGNVFQUJVKRX-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172039 941920388 /nfs/dbraw/zinc/92/03/88/941920388.db2.gz FUYQXLHUROHDDI-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409401567 941981965 /nfs/dbraw/zinc/98/19/65/941981965.db2.gz LKUBMASWKJUFOV-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)CCn1cncn1 ZINC001409590777 942069472 /nfs/dbraw/zinc/06/94/72/942069472.db2.gz KUCYPPMIONMSMS-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001409768176 942194490 /nfs/dbraw/zinc/19/44/90/942194490.db2.gz PSRJQIOQLQNLMV-ZDUSSCGKSA-N 1 3 309.414 0.161 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)CCC[NH+]2CCCCC2)n[nH]1 ZINC001483292963 942244539 /nfs/dbraw/zinc/24/45/39/942244539.db2.gz GJVWFMAWHMDOBE-ZDUSSCGKSA-N 1 3 322.457 0.974 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001127066558 942425272 /nfs/dbraw/zinc/42/52/72/942425272.db2.gz QAZHYRWRVNHIKT-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001127066558 942425275 /nfs/dbraw/zinc/42/52/75/942425275.db2.gz QAZHYRWRVNHIKT-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001413068094 942462928 /nfs/dbraw/zinc/46/29/28/942462928.db2.gz RORNZNNOXIICQP-QWHCGFSZSA-N 1 3 321.425 0.318 20 0 DCADHO CCCN(C)CC(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001414646966 942840993 /nfs/dbraw/zinc/84/09/93/942840993.db2.gz BNRQCHQWOGNCME-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001483944858 943043358 /nfs/dbraw/zinc/04/33/58/943043358.db2.gz HNOZHBWQAHXQMQ-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001483955667 943053682 /nfs/dbraw/zinc/05/36/82/943053682.db2.gz NXJHLEKFQYNAEL-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)N(C)C)C1 ZINC001484124491 943156287 /nfs/dbraw/zinc/15/62/87/943156287.db2.gz ZDYLZOLLJZOJCB-MRXNPFEDSA-N 1 3 312.458 0.245 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338118 943326954 /nfs/dbraw/zinc/32/69/54/943326954.db2.gz FZJUUYQCIFFNRM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001484357454 943333738 /nfs/dbraw/zinc/33/37/38/943333738.db2.gz HSQOWCZETOEFNS-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCC(=O)N3CCC3)CCC2)C1 ZINC001484660869 943497513 /nfs/dbraw/zinc/49/75/13/943497513.db2.gz SKVYENMPHYECHC-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCC(=O)N3CCC3)CCC2)C1 ZINC001484660869 943497514 /nfs/dbraw/zinc/49/75/14/943497514.db2.gz SKVYENMPHYECHC-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CCC1(NCc2ncnn2C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484816614 943587174 /nfs/dbraw/zinc/58/71/74/943587174.db2.gz MERCCSFTOVCLKI-UHFFFAOYSA-N 1 3 322.457 0.628 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC001484907728 943623366 /nfs/dbraw/zinc/62/33/66/943623366.db2.gz WAYOZTZMHLHENN-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC001484907728 943623367 /nfs/dbraw/zinc/62/33/67/943623367.db2.gz WAYOZTZMHLHENN-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO Cc1cc(NC(=O)CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)on1 ZINC001490924505 943678951 /nfs/dbraw/zinc/67/89/51/943678951.db2.gz CQNYVHASQGTEOS-HAQNSBGRSA-N 1 3 323.397 0.110 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)NC1CC1 ZINC001491055090 943728552 /nfs/dbraw/zinc/72/85/52/943728552.db2.gz KFKABMQDKIOTIQ-OSRDXIQISA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272697716 943732052 /nfs/dbraw/zinc/73/20/52/943732052.db2.gz NJTTZEYZXKEBJP-BFYDXBDKSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H]1C[C@@H]1C[N@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272697716 943732055 /nfs/dbraw/zinc/73/20/55/943732055.db2.gz NJTTZEYZXKEBJP-BFYDXBDKSA-N 1 3 309.454 0.755 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001491192100 943821659 /nfs/dbraw/zinc/82/16/59/943821659.db2.gz ZFUPGMCXTKHKLQ-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCn1cncn1 ZINC001491271623 943886614 /nfs/dbraw/zinc/88/66/14/943886614.db2.gz PKKLAMICRSCOOD-HNNXBMFYSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H]1CN(c2ccc(N[C@H]3CN4CCC3CC4)nn2)CC[NH2+]1 ZINC001163386470 944157486 /nfs/dbraw/zinc/15/74/86/944157486.db2.gz TWINUPLCCQUIPQ-JSGCOSHPSA-N 1 3 302.426 0.781 20 0 DCADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnccc1N ZINC001272809199 944242381 /nfs/dbraw/zinc/24/23/81/944242381.db2.gz SXUGWJQGGXTEJJ-HZPDHXFCSA-N 1 3 317.437 0.621 20 0 DCADHO CN(C)CC[N@@H+]1CCC2(CN(CC(C)(C)N3CCOCC3)C2)C1 ZINC001276660981 944252763 /nfs/dbraw/zinc/25/27/63/944252763.db2.gz NMEXPOJBHYGWJA-UHFFFAOYSA-N 1 3 324.513 0.667 20 0 DCADHO CN(C)CC[N@H+]1CCC2(CN(CC(C)(C)N3CCOCC3)C2)C1 ZINC001276660981 944252771 /nfs/dbraw/zinc/25/27/71/944252771.db2.gz NMEXPOJBHYGWJA-UHFFFAOYSA-N 1 3 324.513 0.667 20 0 DCADHO COCCOCN1C[C@@H]2CC[N@H+](Cc3cnccc3N)[C@@H]2C1 ZINC001276713938 944271298 /nfs/dbraw/zinc/27/12/98/944271298.db2.gz WBLAKXOFJFHHJU-XJKSGUPXSA-N 1 3 306.410 0.621 20 0 DCADHO COCCOCN1C[C@@H]2CC[N@@H+](Cc3cnccc3N)[C@@H]2C1 ZINC001276713938 944271308 /nfs/dbraw/zinc/27/13/08/944271308.db2.gz WBLAKXOFJFHHJU-XJKSGUPXSA-N 1 3 306.410 0.621 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCCC1 ZINC001485916912 944401787 /nfs/dbraw/zinc/40/17/87/944401787.db2.gz ZXDXCVGICBEZQN-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001485922497 944405655 /nfs/dbraw/zinc/40/56/55/944405655.db2.gz MFVVXOZIWMCBJZ-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC001485946934 944409158 /nfs/dbraw/zinc/40/91/58/944409158.db2.gz KYBWCJFNZTWXIU-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001485961890 944450472 /nfs/dbraw/zinc/45/04/72/944450472.db2.gz UFAYJFDHGAIATG-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(N)=O)[C@H]2C1 ZINC001486165968 944613085 /nfs/dbraw/zinc/61/30/85/944613085.db2.gz IAPNNQZSJSQAQR-IHRRRGAJSA-N 1 3 310.442 0.029 20 0 DCADHO CCCN1CCN(CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001316957757 944682122 /nfs/dbraw/zinc/68/21/22/944682122.db2.gz HIEFPHPBAKZZDE-KRWDZBQOSA-N 1 3 322.497 0.862 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001486233923 944684676 /nfs/dbraw/zinc/68/46/76/944684676.db2.gz FJGVEQHHOPAQKX-JSGCOSHPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CCC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001277211649 944707359 /nfs/dbraw/zinc/70/73/59/944707359.db2.gz YXANKAYSBCGKQM-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH+](CC)CCN(C)C(=O)C1=NO[C@@H]2CN(CC3CC3)C[C@H]12 ZINC001277240916 944720455 /nfs/dbraw/zinc/72/04/55/944720455.db2.gz IDAATYJOECMXIK-LSDHHAIUSA-N 1 3 322.453 0.883 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001317065679 944771196 /nfs/dbraw/zinc/77/11/96/944771196.db2.gz UDDNMCJPXACDBV-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001317186932 944843394 /nfs/dbraw/zinc/84/33/94/944843394.db2.gz BYPWYEZASTWKKY-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO Cn1nncc1CN1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001277602277 944903440 /nfs/dbraw/zinc/90/34/40/944903440.db2.gz WVZOGKBCHOAOPK-MRXNPFEDSA-N 1 3 306.458 0.665 20 0 DCADHO C[C@@H](C(=O)N(C)C)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001494157526 944905545 /nfs/dbraw/zinc/90/55/45/944905545.db2.gz OUWPRPGLOBAJTO-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CN(CCOCCNCCF)C(=O)C12CCC[NH+]1CCC2 ZINC001486495792 944927811 /nfs/dbraw/zinc/92/78/11/944927811.db2.gz VPEFEMGCUVYNJQ-UHFFFAOYSA-N 1 3 301.406 0.649 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001491559898 944929973 /nfs/dbraw/zinc/92/99/73/944929973.db2.gz NENCGSKUMSBXNZ-RDBSUJKOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001491559898 944929977 /nfs/dbraw/zinc/92/99/77/944929977.db2.gz NENCGSKUMSBXNZ-RDBSUJKOSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001493600938 944996700 /nfs/dbraw/zinc/99/67/00/944996700.db2.gz SLAFIGJRVFPWNT-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1 ZINC001246406242 945404255 /nfs/dbraw/zinc/40/42/55/945404255.db2.gz LVARZPQHKWDLJD-TUVASFSCSA-N 1 3 311.426 0.123 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001486948662 945419807 /nfs/dbraw/zinc/41/98/07/945419807.db2.gz OVDSHUBSJABRCO-GFCCVEGCSA-N 1 3 323.441 0.566 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@H](N)[C@@H](F)CC3)C[C@H](C1)N2 ZINC001246586871 945436193 /nfs/dbraw/zinc/43/61/93/945436193.db2.gz NZPHRHHVVWGPTK-MTQXNIDVSA-N 1 3 313.417 0.820 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@H](N)[C@@H](F)CC3)C[C@H](C1)N2 ZINC001246586871 945436195 /nfs/dbraw/zinc/43/61/95/945436195.db2.gz NZPHRHHVVWGPTK-MTQXNIDVSA-N 1 3 313.417 0.820 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2CN([C@H]3CC[NH2+][C@@H](C(C)C)C3)C[C@@H]2N1 ZINC001246671521 945458657 /nfs/dbraw/zinc/45/86/57/945458657.db2.gz SIFPGSLZTQJTCR-JKJDWNRSSA-N 1 3 309.454 0.988 20 0 DCADHO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCNCC2)O1)N1CCCO1 ZINC001246731337 945474664 /nfs/dbraw/zinc/47/46/64/945474664.db2.gz WJOADGAKAVUEBT-RBSFLKMASA-N 1 3 309.410 0.524 20 0 DCADHO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCNCC2)O1)N1CCCO1 ZINC001246731337 945474671 /nfs/dbraw/zinc/47/46/71/945474671.db2.gz WJOADGAKAVUEBT-RBSFLKMASA-N 1 3 309.410 0.524 20 0 DCADHO O=C([C@H]1CC[C@@H]2[C@@H](CCN2C2CC[NH2+]CC2)O1)N1CCCO1 ZINC001246731337 945474675 /nfs/dbraw/zinc/47/46/75/945474675.db2.gz WJOADGAKAVUEBT-RBSFLKMASA-N 1 3 309.410 0.524 20 0 DCADHO CC(C)NC(=O)c1nn([C@@H]2CC[NH2+][C@@H](C)C2)c2c1CNCC2 ZINC001246760709 945484443 /nfs/dbraw/zinc/48/44/43/945484443.db2.gz XRIRDDZMJNXXJN-NWDGAFQWSA-N 1 3 305.426 0.980 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]([N@H+](CCOC)C2CCNCC2)CCN1 ZINC001246836234 945501054 /nfs/dbraw/zinc/50/10/54/945501054.db2.gz NNTKLQNZQNYNMG-CABCVRRESA-N 1 3 313.442 0.371 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]([N@@H+](CCOC)C2CCNCC2)CCN1 ZINC001246836234 945501059 /nfs/dbraw/zinc/50/10/59/945501059.db2.gz NNTKLQNZQNYNMG-CABCVRRESA-N 1 3 313.442 0.371 20 0 DCADHO c1cc(-c2noc([C@@]34C[NH2+]C[C@@H]3CCN4)n2)nc2c1CNCC2 ZINC001247831929 945576981 /nfs/dbraw/zinc/57/69/81/945576981.db2.gz ABWCPAKDYUZDNB-MEDUHNTESA-N 1 3 312.377 0.185 20 0 DCADHO c1cnn(-c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cn2)c1 ZINC001247852887 945578262 /nfs/dbraw/zinc/57/82/62/945578262.db2.gz WDQHZMATFLCFPG-UHFFFAOYSA-N 1 3 323.360 0.378 20 0 DCADHO O=C1CCc2c1cccc2-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247850938 945580077 /nfs/dbraw/zinc/58/00/77/945580077.db2.gz KFGXWOQCOCWRGI-UHFFFAOYSA-N 1 3 310.357 0.926 20 0 DCADHO C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CC[C@H]1N1CCN(C)CC1 ZINC001319855938 945681065 /nfs/dbraw/zinc/68/10/65/945681065.db2.gz LRYUBEQVKIBZLJ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@H]1N1CCN(C)CC1 ZINC001319855938 945681070 /nfs/dbraw/zinc/68/10/70/945681070.db2.gz LRYUBEQVKIBZLJ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCF)N1CCCCCC1 ZINC001320282450 945800467 /nfs/dbraw/zinc/80/04/67/945800467.db2.gz HWDKCLADMWRCQA-KGLIPLIRSA-N 1 3 303.422 0.677 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CCNCc1nccn1C)[NH+](C)C ZINC001320453569 945884026 /nfs/dbraw/zinc/88/40/26/945884026.db2.gz HTJOYHKHFKWHOH-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001320549614 945920379 /nfs/dbraw/zinc/92/03/79/945920379.db2.gz SRZOLXPGWXHEIF-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCCOC[C@@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252528725 945953953 /nfs/dbraw/zinc/95/39/53/945953953.db2.gz AQFQLDNZCADHFU-INIZCTEOSA-N 1 3 301.475 0.780 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCOCCO)C(C)(C)C1)N(C)C ZINC001278684954 946019967 /nfs/dbraw/zinc/01/99/67/946019967.db2.gz PCCJKPKTPLQPDV-KGLIPLIRSA-N 1 3 315.458 0.162 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001410319196 946181912 /nfs/dbraw/zinc/18/19/12/946181912.db2.gz AYJGCMSBFGSRAV-HZPDHXFCSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001410319196 946181919 /nfs/dbraw/zinc/18/19/19/946181919.db2.gz AYJGCMSBFGSRAV-HZPDHXFCSA-N 1 3 319.453 0.698 20 0 DCADHO Nc1ccncc1-c1cn(C[C@@H]2C[C@]3(CCC[NH2+]3)CO2)nn1 ZINC001254063733 946228639 /nfs/dbraw/zinc/22/86/39/946228639.db2.gz HGGOSBBPDVHVRZ-XHDPSFHLSA-N 1 3 300.366 0.664 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001410393977 946300203 /nfs/dbraw/zinc/30/02/03/946300203.db2.gz XMOQSXICMZSQTO-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001410393977 946300216 /nfs/dbraw/zinc/30/02/16/946300216.db2.gz XMOQSXICMZSQTO-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC001254528947 946406504 /nfs/dbraw/zinc/40/65/04/946406504.db2.gz BCSIFYKZYRXAJL-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC001254528947 946406513 /nfs/dbraw/zinc/40/65/13/946406513.db2.gz BCSIFYKZYRXAJL-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001321653203 946414349 /nfs/dbraw/zinc/41/43/49/946414349.db2.gz XIOYYULUEUHLIH-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC[C@H](O)C[NH3+])CCO2 ZINC001254798268 946431488 /nfs/dbraw/zinc/43/14/88/946431488.db2.gz GSOVYYHSXJABBU-VXGBXAGGSA-N 1 3 315.414 0.064 20 0 DCADHO COC(=O)[C@@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255586249 946532813 /nfs/dbraw/zinc/53/28/13/946532813.db2.gz BXHFGVIOBNQQTD-WDEREUQCSA-N 1 3 301.387 0.333 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1C(=O)CN1CCCC1)[NH+](C)C ZINC001410583827 946604100 /nfs/dbraw/zinc/60/41/00/946604100.db2.gz SFEDGXKTHZTRPI-ZBFHGGJFSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1C[C@H]2C[NH+](C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257242660 946719690 /nfs/dbraw/zinc/71/96/90/946719690.db2.gz DLXAHFZTPSPBNH-KBPBESRZSA-N 1 3 315.483 0.684 20 0 DCADHO CCC[NH+]1C[C@H]2CN(C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257242660 946719697 /nfs/dbraw/zinc/71/96/97/946719697.db2.gz DLXAHFZTPSPBNH-KBPBESRZSA-N 1 3 315.483 0.684 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001410654283 946719958 /nfs/dbraw/zinc/71/99/58/946719958.db2.gz WUDKXYJTVRWKGZ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001410861603 947044375 /nfs/dbraw/zinc/04/43/75/947044375.db2.gz UFGOXIHKRAXNBJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001437196926 947048491 /nfs/dbraw/zinc/04/84/91/947048491.db2.gz GABQACIEFPLYIJ-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001410998359 947214156 /nfs/dbraw/zinc/21/41/56/947214156.db2.gz AVCSYAUWYQPZQO-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001411028148 947248157 /nfs/dbraw/zinc/24/81/57/947248157.db2.gz WRCSYNDIGXYCHU-MRXNPFEDSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC[NH2+]CCc1ccnn1C)C(=O)C1(N(C)C)CCC1 ZINC001273419246 947299793 /nfs/dbraw/zinc/29/97/93/947299793.db2.gz GHHDUWOEZWVKMJ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001273428217 947349419 /nfs/dbraw/zinc/34/94/19/947349419.db2.gz RIACCECEISCOJG-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001273428217 947349433 /nfs/dbraw/zinc/34/94/33/947349433.db2.gz RIACCECEISCOJG-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C(C)(C)C ZINC001411215632 947495790 /nfs/dbraw/zinc/49/57/90/947495790.db2.gz HLACWHQINBGVPZ-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001411248263 947538811 /nfs/dbraw/zinc/53/88/11/947538811.db2.gz HILWBAHRNBEINU-WLYUNCDWSA-N 1 3 324.469 0.432 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC001262363466 947664415 /nfs/dbraw/zinc/66/44/15/947664415.db2.gz TZUMQZSQZMSONR-IYBDPMFKSA-N 1 3 323.485 0.217 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC001262363466 947664423 /nfs/dbraw/zinc/66/44/23/947664423.db2.gz TZUMQZSQZMSONR-IYBDPMFKSA-N 1 3 323.485 0.217 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC001262561936 947726480 /nfs/dbraw/zinc/72/64/80/947726480.db2.gz KUWOWWBFFYWTJH-KRWDZBQOSA-N 1 3 321.465 0.962 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001179486654 947851400 /nfs/dbraw/zinc/85/14/00/947851400.db2.gz OUGMSKJZFBEOML-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC001325744641 947907540 /nfs/dbraw/zinc/90/75/40/947907540.db2.gz AICQAFYTQBXYRP-ZDUSSCGKSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)CCC[NH+](C)C ZINC001487921900 948358755 /nfs/dbraw/zinc/35/87/55/948358755.db2.gz XDIXAMFNBDCBKI-LBPRGKRZSA-N 1 3 309.414 0.257 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCO1 ZINC001327035277 948372328 /nfs/dbraw/zinc/37/23/28/948372328.db2.gz LZEMANCZYVAZSJ-LSDHHAIUSA-N 1 3 315.458 0.426 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001488773997 949171360 /nfs/dbraw/zinc/17/13/60/949171360.db2.gz QTBIDQTYNCPWNV-APIJFGDWSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001488916119 949335253 /nfs/dbraw/zinc/33/52/53/949335253.db2.gz ONFYDMUKVBJCDE-RWMBFGLXSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702637008 950337422 /nfs/dbraw/zinc/33/74/22/950337422.db2.gz RJLCUAVRNRRCFL-QGZVFWFLSA-N 1 3 305.422 0.738 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001280307534 950810020 /nfs/dbraw/zinc/81/00/20/950810020.db2.gz MHQGKEXSUTYJOK-AWEZNQCLSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001490669507 950972226 /nfs/dbraw/zinc/97/22/26/950972226.db2.gz YBFZMJKJPKDMCT-OLZOCXBDSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCC[C@H](C)C1 ZINC001331194957 951010994 /nfs/dbraw/zinc/01/09/94/951010994.db2.gz DHEHGBSWPSPKLJ-CRWXNKLISA-N 1 3 310.442 0.077 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC001331515026 951151919 /nfs/dbraw/zinc/15/19/19/951151919.db2.gz ZMYLBEJXFVCTPX-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1=CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001281397375 951484487 /nfs/dbraw/zinc/48/44/87/951484487.db2.gz SEZREJGPQSSCPS-HNNXBMFYSA-N 1 3 324.469 0.553 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001365838140 951602493 /nfs/dbraw/zinc/60/24/93/951602493.db2.gz AGXFDLONIYQBSO-XUXIUFHCSA-N 1 3 312.458 0.192 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001365850408 951615775 /nfs/dbraw/zinc/61/57/75/951615775.db2.gz XXNPCOUNUWYWBV-KBUPBQIOSA-N 1 3 324.469 0.336 20 0 DCADHO C[C@H](F)CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001274544150 951690037 /nfs/dbraw/zinc/69/00/37/951690037.db2.gz OTBWCZXPJWMXEB-UONOGXRCSA-N 1 3 315.433 0.772 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001292857042 951841264 /nfs/dbraw/zinc/84/12/64/951841264.db2.gz IIKNKJMQDBTYFQ-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001292857042 951841267 /nfs/dbraw/zinc/84/12/67/951841267.db2.gz IIKNKJMQDBTYFQ-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CCC(=O)C(C)(C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCN(C)C ZINC001274913776 951887693 /nfs/dbraw/zinc/88/76/93/951887693.db2.gz HKCVSNUMHPAABE-GASCZTMLSA-N 1 3 311.470 0.938 20 0 DCADHO CCC(=O)C(C)(C)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCN(C)C ZINC001274913776 951887699 /nfs/dbraw/zinc/88/76/99/951887699.db2.gz HKCVSNUMHPAABE-GASCZTMLSA-N 1 3 311.470 0.938 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001333043289 951892875 /nfs/dbraw/zinc/89/28/75/951892875.db2.gz SNYLLSJAHVQNEI-NRXISQOPSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC001333442901 952063567 /nfs/dbraw/zinc/06/35/67/952063567.db2.gz AKGOKJOVXCTLNT-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cccn1 ZINC001275459550 952162730 /nfs/dbraw/zinc/16/27/30/952162730.db2.gz SJHVSMQORJYEKS-LSDHHAIUSA-N 1 3 307.442 0.852 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=CCC[NH2+]CC1 ZINC001340204541 953153985 /nfs/dbraw/zinc/15/39/85/953153985.db2.gz FYYQNHUJKQXOMQ-OAHLLOKOSA-N 1 3 322.453 0.355 20 0 DCADHO C[NH+](C)CCCNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001341631167 953242171 /nfs/dbraw/zinc/24/21/71/953242171.db2.gz JGLVSWRNSQXUBT-ZDUSSCGKSA-N 1 3 304.394 0.580 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001343392484 953343179 /nfs/dbraw/zinc/34/31/79/953343179.db2.gz BICWUHUWEZOUSS-XGUBFFRZSA-N 1 3 315.458 0.208 20 0 DCADHO C[NH2+]CCCN(C)C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001343686941 953364809 /nfs/dbraw/zinc/36/48/09/953364809.db2.gz QNQJJHHXYCTRKT-CYBMUJFWSA-N 1 3 304.394 0.580 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC001281890305 953404382 /nfs/dbraw/zinc/40/43/82/953404382.db2.gz KGIUJCHYZGPFLO-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NCC(=O)N(C)C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365919055 953408465 /nfs/dbraw/zinc/40/84/65/953408465.db2.gz DGZREEGNBJNHTB-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)c1cccc2c1OCCNC2 ZINC001344345643 953472590 /nfs/dbraw/zinc/47/25/90/953472590.db2.gz YSCKBBWPRZSZIL-UHFFFAOYSA-N 1 3 307.394 0.477 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+][C@H]1CCN(C)C1=O)C1CC1)C1CCC1 ZINC001366034923 953606497 /nfs/dbraw/zinc/60/64/97/953606497.db2.gz KZIJSWWERZGHCC-GJZGRUSLSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001366101135 953684604 /nfs/dbraw/zinc/68/46/04/953684604.db2.gz GBGLEMSXSYPOHR-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366105657 953691251 /nfs/dbraw/zinc/69/12/51/953691251.db2.gz XGZDPMNZMZEYTG-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001366128769 953719465 /nfs/dbraw/zinc/71/94/65/953719465.db2.gz YPZCLBAVZVQQRC-BPLDGKMQSA-N 1 3 322.453 0.091 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001366166963 953765997 /nfs/dbraw/zinc/76/59/97/953765997.db2.gz JKVFISCOXGLEOA-MELADBBJSA-N 1 3 312.458 0.478 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001366217307 953842366 /nfs/dbraw/zinc/84/23/66/953842366.db2.gz QNBZTADVYRLSDT-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)N(C)C ZINC001366363411 954102377 /nfs/dbraw/zinc/10/23/77/954102377.db2.gz KOOZGWZNYYPQON-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001366379784 954127128 /nfs/dbraw/zinc/12/71/28/954127128.db2.gz RWDDMEMMVPPPAK-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001366379784 954127133 /nfs/dbraw/zinc/12/71/33/954127133.db2.gz RWDDMEMMVPPPAK-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366396281 954149288 /nfs/dbraw/zinc/14/92/88/954149288.db2.gz BHAUNEBQFQZNIS-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001283233852 954170606 /nfs/dbraw/zinc/17/06/06/954170606.db2.gz VPTPCOBZUWQFDG-ZDUSSCGKSA-N 1 3 322.457 0.531 20 0 DCADHO CCCN(C)CC(=O)NCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283262278 954201630 /nfs/dbraw/zinc/20/16/30/954201630.db2.gz ORIRKYGTIQFBJV-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC001366514783 954304597 /nfs/dbraw/zinc/30/45/97/954304597.db2.gz VHALVEUZHZBPQC-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C/C(=C\C(=O)N[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCCN(C)C1 ZINC001348794084 954468893 /nfs/dbraw/zinc/46/88/93/954468893.db2.gz REGGDECOWJWBGI-XGWPRKDGSA-N 1 3 322.453 0.354 20 0 DCADHO C/C(=C\C(=O)N[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCCN(C)C1 ZINC001348794084 954468903 /nfs/dbraw/zinc/46/89/03/954468903.db2.gz REGGDECOWJWBGI-XGWPRKDGSA-N 1 3 322.453 0.354 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)[C@H]1C ZINC001283927785 954722466 /nfs/dbraw/zinc/72/24/66/954722466.db2.gz NRMWVNIFANJIJB-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001366771561 954817064 /nfs/dbraw/zinc/81/70/64/954817064.db2.gz PWIQCCGLFCCHHX-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001366771561 954817079 /nfs/dbraw/zinc/81/70/79/954817079.db2.gz PWIQCCGLFCCHHX-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001366778478 954833075 /nfs/dbraw/zinc/83/30/75/954833075.db2.gz ZDHUVQSIJZSWON-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001366818293 954881599 /nfs/dbraw/zinc/88/15/99/954881599.db2.gz LHIJDNSTSFVNHM-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H](C)C(=O)NC)C1 ZINC001366843744 954922851 /nfs/dbraw/zinc/92/28/51/954922851.db2.gz IXDZVDSBIZDPNI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H](C)C(=O)NC)C1 ZINC001366843744 954922856 /nfs/dbraw/zinc/92/28/56/954922856.db2.gz IXDZVDSBIZDPNI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCCF ZINC001284428615 955084429 /nfs/dbraw/zinc/08/44/29/955084429.db2.gz HFFGPZYVYUEKEZ-UONOGXRCSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCCF ZINC001284428615 955084441 /nfs/dbraw/zinc/08/44/41/955084441.db2.gz HFFGPZYVYUEKEZ-UONOGXRCSA-N 1 3 303.422 0.485 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC001353237183 955987686 /nfs/dbraw/zinc/98/76/86/955987686.db2.gz AVVUYVKHELFGQA-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1CNCc1ccn(C)n1 ZINC001446975731 1013156043 /nfs/dbraw/zinc/15/60/43/1013156043.db2.gz VJQKRTUREDSNLI-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001367489332 957882467 /nfs/dbraw/zinc/88/24/67/957882467.db2.gz SSTUMGOJYLZZGB-GJZGRUSLSA-N 1 3 322.457 0.350 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001367494069 957896886 /nfs/dbraw/zinc/89/68/86/957896886.db2.gz QOQFOMWLKBVVLJ-KGLIPLIRSA-N 1 3 312.458 0.288 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001367514078 957943452 /nfs/dbraw/zinc/94/34/52/957943452.db2.gz ZDNZIHJQYLGXHZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001367514078 957943467 /nfs/dbraw/zinc/94/34/67/957943467.db2.gz ZDNZIHJQYLGXHZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn2ccc(C)cc12 ZINC001367674015 958330051 /nfs/dbraw/zinc/33/00/51/958330051.db2.gz FJWHZFCFIPELMV-GFCCVEGCSA-N 1 3 317.393 0.487 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001367673837 958332350 /nfs/dbraw/zinc/33/23/50/958332350.db2.gz IVOYOFRXTNELFZ-SNVBAGLBSA-N 1 3 320.393 0.509 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001367675755 958334692 /nfs/dbraw/zinc/33/46/92/958334692.db2.gz LWBQERPMZZRSDR-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367695184 958387468 /nfs/dbraw/zinc/38/74/68/958387468.db2.gz UOCSIMDVLVKBMN-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCC(=O)NCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367711989 958420210 /nfs/dbraw/zinc/42/02/10/958420210.db2.gz ISXMVQXXQMMUBC-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CNCC(=O)NCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367711989 958420219 /nfs/dbraw/zinc/42/02/19/958420219.db2.gz ISXMVQXXQMMUBC-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)[NH+]1CCCC1 ZINC001367775614 958551459 /nfs/dbraw/zinc/55/14/59/958551459.db2.gz SAJROFQYLMTHIR-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC(=O)NC ZINC001367872293 958749250 /nfs/dbraw/zinc/74/92/50/958749250.db2.gz ZIHYYQAGKXUTTM-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccnn1C)N(C)C ZINC001367879326 958755991 /nfs/dbraw/zinc/75/59/91/958755991.db2.gz ULKGAGVACWVCOC-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001367879326 958756007 /nfs/dbraw/zinc/75/60/07/958756007.db2.gz ULKGAGVACWVCOC-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccnn1C)N(C)C ZINC001367879323 958757483 /nfs/dbraw/zinc/75/74/83/958757483.db2.gz ULKGAGVACWVCOC-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001367879323 958757490 /nfs/dbraw/zinc/75/74/90/958757490.db2.gz ULKGAGVACWVCOC-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001362134436 958800613 /nfs/dbraw/zinc/80/06/13/958800613.db2.gz JQUOZICHPWHWFJ-JYJNAYRXSA-N 1 3 310.486 0.859 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001362134436 958800629 /nfs/dbraw/zinc/80/06/29/958800629.db2.gz JQUOZICHPWHWFJ-JYJNAYRXSA-N 1 3 310.486 0.859 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](CNCC(=O)NC)C2CC2)C1 ZINC001367902007 958816375 /nfs/dbraw/zinc/81/63/75/958816375.db2.gz GKEPOIBBNOVXER-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](CNCC(=O)NC)C2CC2)C1 ZINC001367902007 958816397 /nfs/dbraw/zinc/81/63/97/958816397.db2.gz GKEPOIBBNOVXER-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001376799961 958873227 /nfs/dbraw/zinc/87/32/27/958873227.db2.gz IHSHGNKTJGDBFZ-DZGCQCFKSA-N 1 3 309.458 0.643 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001376816823 958909982 /nfs/dbraw/zinc/90/99/82/958909982.db2.gz ATTLREBYSITBHN-HUUCEWRRSA-N 1 3 322.457 0.635 20 0 DCADHO Cc1cccnc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001376840952 958961688 /nfs/dbraw/zinc/96/16/88/958961688.db2.gz IWHBTEHKKRLHKV-OAHLLOKOSA-N 1 3 320.437 0.659 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001491636719 958983375 /nfs/dbraw/zinc/98/33/75/958983375.db2.gz LVKQGFOTFPUVDI-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001491636719 958983387 /nfs/dbraw/zinc/98/33/87/958983387.db2.gz LVKQGFOTFPUVDI-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001491639767 958994284 /nfs/dbraw/zinc/99/42/84/958994284.db2.gz QZWMMXHNSMGCBY-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001491639767 958994300 /nfs/dbraw/zinc/99/43/00/958994300.db2.gz QZWMMXHNSMGCBY-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001376905753 959109488 /nfs/dbraw/zinc/10/94/88/959109488.db2.gz VAHKFPMOBUTBPI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001368110004 959258277 /nfs/dbraw/zinc/25/82/77/959258277.db2.gz POPARMZFCDOKPX-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCc1nc([C@H](C)NC[C@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001368111685 959264415 /nfs/dbraw/zinc/26/44/15/959264415.db2.gz WPPOTDSNAWAZAU-QWHCGFSZSA-N 1 3 322.457 0.960 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001368139270 959309103 /nfs/dbraw/zinc/30/91/03/959309103.db2.gz CXADTQMYTMCUJQ-QLFBSQMISA-N 1 3 322.453 0.280 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001368139270 959309123 /nfs/dbraw/zinc/30/91/23/959309123.db2.gz CXADTQMYTMCUJQ-QLFBSQMISA-N 1 3 322.453 0.280 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC2(NCCF)CCOCC2)CC1 ZINC001368233021 959472287 /nfs/dbraw/zinc/47/22/87/959472287.db2.gz HBAGLOHNPHHYQB-UHFFFAOYSA-N 1 3 301.406 0.553 20 0 DCADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H](C)C(N)=O ZINC001492130195 959611290 /nfs/dbraw/zinc/61/12/90/959611290.db2.gz ZVIBFMOATDZRGF-OLZOCXBDSA-N 1 3 320.437 0.720 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)Cc1ccn(C)c(=O)c1 ZINC001377261030 959814423 /nfs/dbraw/zinc/81/44/23/959814423.db2.gz ORDYRSNXUYBLFK-UHFFFAOYSA-N 1 3 320.437 0.275 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001368477188 959921692 /nfs/dbraw/zinc/92/16/92/959921692.db2.gz ZBMJNDVLHSGSGI-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001368477188 959921700 /nfs/dbraw/zinc/92/17/00/959921700.db2.gz ZBMJNDVLHSGSGI-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001368482616 959927008 /nfs/dbraw/zinc/92/70/08/959927008.db2.gz COUQZYXTUSQCAD-UHFFFAOYSA-N 1 3 317.437 0.644 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001368502674 959947027 /nfs/dbraw/zinc/94/70/27/959947027.db2.gz XUEJVZYYQPPDFL-XHSDSOJGSA-N 1 3 321.469 0.787 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001368580568 960055739 /nfs/dbraw/zinc/05/57/39/960055739.db2.gz OPGDWZIAMPCXAU-UMVBOHGHSA-N 1 3 312.458 0.145 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001368642150 960113995 /nfs/dbraw/zinc/11/39/95/960113995.db2.gz VJIUHXWBXWVPKS-ZNMIVQPWSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N1CCCCC1 ZINC001368658082 960129462 /nfs/dbraw/zinc/12/94/62/960129462.db2.gz RZACBNSLXXPVFN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)CC1 ZINC001368662364 960134492 /nfs/dbraw/zinc/13/44/92/960134492.db2.gz YJHKNXDCQUHRDL-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CC[C@H](N2CC[C@H](CNC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001377464394 960143877 /nfs/dbraw/zinc/14/38/77/960143877.db2.gz PSKNYXUIPDTPTD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](N2CC[C@H](CNC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001377464394 960143881 /nfs/dbraw/zinc/14/38/81/960143881.db2.gz PSKNYXUIPDTPTD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nccnc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001377479572 960164522 /nfs/dbraw/zinc/16/45/22/960164522.db2.gz SLSLJJUFGAWIJE-SWLSCSKDSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001368747043 960222006 /nfs/dbraw/zinc/22/20/06/960222006.db2.gz DIADFLOSQZXAID-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001368747043 960222014 /nfs/dbraw/zinc/22/20/14/960222014.db2.gz DIADFLOSQZXAID-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001368754453 960228067 /nfs/dbraw/zinc/22/80/67/960228067.db2.gz HNZNXSAGEFYUFA-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001368779215 960255839 /nfs/dbraw/zinc/25/58/39/960255839.db2.gz WTRPVOIZPKONSJ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001368779215 960255852 /nfs/dbraw/zinc/25/58/52/960255852.db2.gz WTRPVOIZPKONSJ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](F)CN1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001377554842 960271934 /nfs/dbraw/zinc/27/19/34/960271934.db2.gz ZNLHNHMYNQWHAX-KGLIPLIRSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](F)CN1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001377554842 960271939 /nfs/dbraw/zinc/27/19/39/960271939.db2.gz ZNLHNHMYNQWHAX-KGLIPLIRSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001377592115 960332952 /nfs/dbraw/zinc/33/29/52/960332952.db2.gz IDBHBLDFJCYDNZ-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCn1cccn1 ZINC001368839807 960341021 /nfs/dbraw/zinc/34/10/21/960341021.db2.gz KIYKIKOPRMCNAK-KBPBESRZSA-N 1 3 307.442 0.850 20 0 DCADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001377614788 960354861 /nfs/dbraw/zinc/35/48/61/960354861.db2.gz GGPGNXLLAFWSSF-HNNXBMFYSA-N 1 3 324.469 0.709 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCn1cccn1 ZINC001377621974 960361429 /nfs/dbraw/zinc/36/14/29/960361429.db2.gz AODJWYIICRLYPP-JKSUJKDBSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCn1cccn1 ZINC001377621974 960361439 /nfs/dbraw/zinc/36/14/39/960361439.db2.gz AODJWYIICRLYPP-JKSUJKDBSA-N 1 3 319.453 0.900 20 0 DCADHO CNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001377707689 960473591 /nfs/dbraw/zinc/47/35/91/960473591.db2.gz QYFWAHOYOAJLGJ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(CN1CCCC1)NCC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001377719608 960495678 /nfs/dbraw/zinc/49/56/78/960495678.db2.gz LENUPRNUFNIEMT-HNNXBMFYSA-N 1 3 322.453 0.143 20 0 DCADHO O=C(CN1CCCC1)NCC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001377719608 960495684 /nfs/dbraw/zinc/49/56/84/960495684.db2.gz LENUPRNUFNIEMT-HNNXBMFYSA-N 1 3 322.453 0.143 20 0 DCADHO Cn1cncc1CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001377718595 960496959 /nfs/dbraw/zinc/49/69/59/960496959.db2.gz JFPNWNCISUKSRP-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cncc1CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001377718595 960496971 /nfs/dbraw/zinc/49/69/71/960496971.db2.gz JFPNWNCISUKSRP-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001377788191 960660888 /nfs/dbraw/zinc/66/08/88/960660888.db2.gz IZSNYBLELPGZQQ-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001377788191 960660902 /nfs/dbraw/zinc/66/09/02/960660902.db2.gz IZSNYBLELPGZQQ-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](NCC(=O)NC1CCCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377852054 960816186 /nfs/dbraw/zinc/81/61/86/960816186.db2.gz SCRHXIFDQSSPHR-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO NC(=O)c1ccc(CN[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001548967796 1013207491 /nfs/dbraw/zinc/20/74/91/1013207491.db2.gz WVPLHKIOVWOSFR-BZUAXINKSA-N 1 3 303.406 0.863 20 0 DCADHO NC(=O)c1ccc(CN[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)cc1 ZINC001548967796 1013207498 /nfs/dbraw/zinc/20/74/98/1013207498.db2.gz WVPLHKIOVWOSFR-BZUAXINKSA-N 1 3 303.406 0.863 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377902299 960942583 /nfs/dbraw/zinc/94/25/83/960942583.db2.gz BWABHFDXQOJJRZ-VXGBXAGGSA-N 1 3 318.425 0.720 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(CCCF)C1 ZINC001447031910 1013213932 /nfs/dbraw/zinc/21/39/32/1013213932.db2.gz CNPDHTHPEWVGJI-OAHLLOKOSA-N 1 3 303.422 0.631 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(CCCF)C1 ZINC001447031910 1013213945 /nfs/dbraw/zinc/21/39/45/1013213945.db2.gz CNPDHTHPEWVGJI-OAHLLOKOSA-N 1 3 303.422 0.631 20 0 DCADHO CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001447068303 1013230935 /nfs/dbraw/zinc/23/09/35/1013230935.db2.gz VSPYGZDTXSEECT-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C)[NH+](C)C ZINC001378807635 961515208 /nfs/dbraw/zinc/51/52/08/961515208.db2.gz FGDFATKSDLYTDU-GXTWGEPZSA-N 1 3 300.447 0.097 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCc1ccnn1C ZINC001378183491 961617058 /nfs/dbraw/zinc/61/70/58/961617058.db2.gz HYMKPXAEODRSJJ-CQSZACIVSA-N 1 3 319.453 0.495 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001378917341 961700086 /nfs/dbraw/zinc/70/00/86/961700086.db2.gz GITTXTAFSHHHND-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001378917341 961700091 /nfs/dbraw/zinc/70/00/91/961700091.db2.gz GITTXTAFSHHHND-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CCOC(=O)[C@](C)(O)CN1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001363784193 961874674 /nfs/dbraw/zinc/87/46/74/961874674.db2.gz KIQVEDPMOSNLRU-GDBMZVCRSA-N 1 3 316.442 0.733 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1)[NH+](C)C ZINC001430256454 1013294896 /nfs/dbraw/zinc/29/48/96/1013294896.db2.gz BCOLQVRNTDYLCF-MRXNPFEDSA-N 1 3 324.469 0.384 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001379056077 961989703 /nfs/dbraw/zinc/98/97/03/961989703.db2.gz LMBSGLYKXMDBFU-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(CO)nc1 ZINC001363928315 962141711 /nfs/dbraw/zinc/14/17/11/962141711.db2.gz RYQBMMXSGIPORN-ZDUSSCGKSA-N 1 3 308.426 0.576 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(CO)nc1 ZINC001363928315 962141721 /nfs/dbraw/zinc/14/17/21/962141721.db2.gz RYQBMMXSGIPORN-ZDUSSCGKSA-N 1 3 308.426 0.576 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379123250 962153469 /nfs/dbraw/zinc/15/34/69/962153469.db2.gz CKFVDUYJYGRKJH-OAHLLOKOSA-N 1 3 321.469 0.695 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379123250 962153476 /nfs/dbraw/zinc/15/34/76/962153476.db2.gz CKFVDUYJYGRKJH-OAHLLOKOSA-N 1 3 321.469 0.695 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001379232984 962424538 /nfs/dbraw/zinc/42/45/38/962424538.db2.gz HFCAFYCLBLYBNH-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CCN(CCN[C@H]1CCN(C2CCC2)C1=O)C(=O)CC[NH+](C)C ZINC001379319667 962615144 /nfs/dbraw/zinc/61/51/44/962615144.db2.gz GBERDAIBVPVGJT-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC001380085346 962638748 /nfs/dbraw/zinc/63/87/48/962638748.db2.gz QRAOHLMYAFOYDY-CHWSQXEVSA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC001380085346 962638760 /nfs/dbraw/zinc/63/87/60/962638760.db2.gz QRAOHLMYAFOYDY-CHWSQXEVSA-N 1 3 310.442 0.362 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001380272927 962969401 /nfs/dbraw/zinc/96/94/01/962969401.db2.gz RJAZWVZVRSKNSK-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001380274807 962972734 /nfs/dbraw/zinc/97/27/34/962972734.db2.gz WVMCKEYVNAIWJD-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CCn1cc(CCN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cn1 ZINC001380351206 963085524 /nfs/dbraw/zinc/08/55/24/963085524.db2.gz FGXYQDILAPZERX-KRWDZBQOSA-N 1 3 321.469 0.978 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001379517990 963113256 /nfs/dbraw/zinc/11/32/56/963113256.db2.gz XTKYYJFUSOSDDF-UONOGXRCSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)CCC[NH+](C)C ZINC001379535978 963147563 /nfs/dbraw/zinc/14/75/63/963147563.db2.gz MMULLNAAHYJDAD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001379561398 963183216 /nfs/dbraw/zinc/18/32/16/963183216.db2.gz AOQLCDVZSSXNGA-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001379561398 963183221 /nfs/dbraw/zinc/18/32/21/963183221.db2.gz AOQLCDVZSSXNGA-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccnn2C)[C@@H]1C ZINC001379563428 963184991 /nfs/dbraw/zinc/18/49/91/963184991.db2.gz CXKXPCAFPXMGDE-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccnn2C)[C@@H]1C ZINC001379563428 963185003 /nfs/dbraw/zinc/18/50/03/963185003.db2.gz CXKXPCAFPXMGDE-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001430388289 1013424450 /nfs/dbraw/zinc/42/44/50/1013424450.db2.gz RWOGYYZFEXEPRJ-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001430388289 1013424458 /nfs/dbraw/zinc/42/44/58/1013424458.db2.gz RWOGYYZFEXEPRJ-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NCC(=O)N2CCC2)CCC1)[NH+](C)C ZINC001380894361 963664273 /nfs/dbraw/zinc/66/42/73/963664273.db2.gz HUSORQRJFCWYEA-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCC(N)=O ZINC001381110670 963822858 /nfs/dbraw/zinc/82/28/58/963822858.db2.gz XTBZESLQZVZPQX-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCC(N)=O ZINC001381110670 963822866 /nfs/dbraw/zinc/82/28/66/963822866.db2.gz XTBZESLQZVZPQX-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC(=O)N(C)C)C1 ZINC001381277077 963936379 /nfs/dbraw/zinc/93/63/79/963936379.db2.gz YDQPNFQBGIDBDI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001381332198 963976890 /nfs/dbraw/zinc/97/68/90/963976890.db2.gz CMFDLDRBCMMMMG-PIMMBPRGSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001375138798 964039513 /nfs/dbraw/zinc/03/95/13/964039513.db2.gz ZYWUAKLJMGWUMK-CQSZACIVSA-N 1 3 305.426 0.415 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001375274299 964195095 /nfs/dbraw/zinc/19/50/95/964195095.db2.gz VGCQRZBMVCWYDY-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001375274299 964195104 /nfs/dbraw/zinc/19/51/04/964195104.db2.gz VGCQRZBMVCWYDY-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001375274597 964195445 /nfs/dbraw/zinc/19/54/45/964195445.db2.gz TXDOUOIIYFTMRC-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001375274597 964195451 /nfs/dbraw/zinc/19/54/51/964195451.db2.gz TXDOUOIIYFTMRC-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001375497609 964478854 /nfs/dbraw/zinc/47/88/54/964478854.db2.gz XPIPPMHBXKNDKK-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001375544440 964535243 /nfs/dbraw/zinc/53/52/43/964535243.db2.gz SOMGTGUDKKZJCO-IIAWOOMASA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001375561946 964553495 /nfs/dbraw/zinc/55/34/95/964553495.db2.gz PXZVHYCLRBXNAC-HDJSIYSDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)NCC1CC1 ZINC001369277489 964639295 /nfs/dbraw/zinc/63/92/95/964639295.db2.gz NWSYFLZQCDFPIX-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001373797444 964644562 /nfs/dbraw/zinc/64/45/62/964644562.db2.gz LZRDRSNFQYLNPV-XHDPSFHLSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001373797444 964644569 /nfs/dbraw/zinc/64/45/69/964644569.db2.gz LZRDRSNFQYLNPV-XHDPSFHLSA-N 1 3 316.421 0.169 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCc1ccnn1C ZINC001369316550 964721424 /nfs/dbraw/zinc/72/14/24/964721424.db2.gz WUASWSHUSXSJAP-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001375757346 964802526 /nfs/dbraw/zinc/80/25/26/964802526.db2.gz CYXFCPMZUUYACZ-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369379917 964857855 /nfs/dbraw/zinc/85/78/55/964857855.db2.gz FJRVYPVRGPTNIH-JKSUJKDBSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369379917 964857862 /nfs/dbraw/zinc/85/78/62/964857862.db2.gz FJRVYPVRGPTNIH-JKSUJKDBSA-N 1 3 305.422 0.513 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374017525 964893608 /nfs/dbraw/zinc/89/36/08/964893608.db2.gz IBFPNLSMYFNUIS-BXUZGUMPSA-N 1 3 323.466 0.722 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC2CC2)C[C@H]1C ZINC001369397428 964895093 /nfs/dbraw/zinc/89/50/93/964895093.db2.gz LAAJNFPZKBQDEE-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001369399888 964896610 /nfs/dbraw/zinc/89/66/10/964896610.db2.gz GGVLXQQNTFSDPX-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1)N1CCCC1 ZINC001369423925 964955162 /nfs/dbraw/zinc/95/51/62/964955162.db2.gz QJYAZRCBKPTABU-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001374067599 964969990 /nfs/dbraw/zinc/96/99/90/964969990.db2.gz AHMCPBWRXZSPSU-GXTWGEPZSA-N 1 3 300.447 0.003 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)CNCc1ccccn1)[NH+](C)C ZINC001369469028 965031437 /nfs/dbraw/zinc/03/14/37/965031437.db2.gz CUELFNUMHMLTMQ-CVEARBPZSA-N 1 3 322.453 0.577 20 0 DCADHO CC[C@@H](C(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1)N(C)C ZINC001374234851 965165611 /nfs/dbraw/zinc/16/56/11/965165611.db2.gz GRBHUCYYZCKDLX-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1)N(C)C ZINC001374234851 965165621 /nfs/dbraw/zinc/16/56/21/965165621.db2.gz GRBHUCYYZCKDLX-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC001369562111 965175328 /nfs/dbraw/zinc/17/53/28/965175328.db2.gz ZDIMCGUEBLXJTF-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001374280155 965218301 /nfs/dbraw/zinc/21/83/01/965218301.db2.gz LLVNMGQHKVIXLD-LBPRGKRZSA-N 1 3 300.447 0.147 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001369750301 965354592 /nfs/dbraw/zinc/35/45/92/965354592.db2.gz CTTRAIHDDSTBLH-HNNXBMFYSA-N 1 3 317.449 0.972 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001376326613 965524855 /nfs/dbraw/zinc/52/48/55/965524855.db2.gz VHHDAWZWPHQTLU-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001376326613 965524867 /nfs/dbraw/zinc/52/48/67/965524867.db2.gz VHHDAWZWPHQTLU-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1cc(CNC[C@@H]2CCC[C@H]2NC(=O)CCC[NH+](C)C)nn1 ZINC001374569989 965548262 /nfs/dbraw/zinc/54/82/62/965548262.db2.gz GQPJYNLODHWDDI-DZGCQCFKSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001376349479 965554068 /nfs/dbraw/zinc/55/40/68/965554068.db2.gz RCUGFXHWAOLQMG-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)C1=O ZINC001376491068 965729311 /nfs/dbraw/zinc/72/93/11/965729311.db2.gz QBJWKUGONJEEHO-LJISPDSOSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001374728803 965825765 /nfs/dbraw/zinc/82/57/65/965825765.db2.gz PAAFXUDESSEOJF-UONOGXRCSA-N 1 3 312.458 0.240 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001376609949 965888130 /nfs/dbraw/zinc/88/81/30/965888130.db2.gz HMUFUAGHQDRNBN-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(N)=O ZINC001376612856 965891808 /nfs/dbraw/zinc/89/18/08/965891808.db2.gz QVKSJCQFYUWWNF-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(N)=O ZINC001376612856 965891813 /nfs/dbraw/zinc/89/18/13/965891813.db2.gz QVKSJCQFYUWWNF-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1)N(C)C ZINC001374771680 965898480 /nfs/dbraw/zinc/89/84/80/965898480.db2.gz IITXKXIQOOJEOO-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1)N(C)C ZINC001374771680 965898486 /nfs/dbraw/zinc/89/84/86/965898486.db2.gz IITXKXIQOOJEOO-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001370265140 965936531 /nfs/dbraw/zinc/93/65/31/965936531.db2.gz MEYRZARTNFJJFG-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H]([NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001376669248 965962126 /nfs/dbraw/zinc/96/21/26/965962126.db2.gz IELOPMLTRRTYAQ-RUXDESIVSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001430597010 1013614380 /nfs/dbraw/zinc/61/43/80/1013614380.db2.gz ZXNYRFRWLNNBFY-BFHYXJOUSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001430597010 1013614386 /nfs/dbraw/zinc/61/43/86/1013614386.db2.gz ZXNYRFRWLNNBFY-BFHYXJOUSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001370390745 966074315 /nfs/dbraw/zinc/07/43/15/966074315.db2.gz PBAIKSGNEBEJJL-HNNXBMFYSA-N 1 3 307.442 0.761 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001374910888 966127515 /nfs/dbraw/zinc/12/75/15/966127515.db2.gz TZVJWJKSYMPIMF-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001374910888 966127525 /nfs/dbraw/zinc/12/75/25/966127525.db2.gz TZVJWJKSYMPIMF-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N[C@@H](C)C1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001374930587 966151010 /nfs/dbraw/zinc/15/10/10/966151010.db2.gz JXCGBRDJCMNLEI-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO CCc1nc([C@H](C)NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001374932642 966154446 /nfs/dbraw/zinc/15/44/46/966154446.db2.gz ZODPUBPNOJPYKV-RYUDHWBXSA-N 1 3 322.457 0.864 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001381458340 966434273 /nfs/dbraw/zinc/43/42/73/966434273.db2.gz NMNSSQWSASVBBW-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001381470061 966443801 /nfs/dbraw/zinc/44/38/01/966443801.db2.gz RGYZLJHEHCGWGE-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001447926402 1013653841 /nfs/dbraw/zinc/65/38/41/1013653841.db2.gz JETFMKBUNJTPLS-QWRGUYRKSA-N 1 3 306.414 0.192 20 0 DCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCc1cnn(C)c1 ZINC001447937952 1013660167 /nfs/dbraw/zinc/66/01/67/1013660167.db2.gz VGKDIMMMHQOLFL-QWHCGFSZSA-N 1 3 305.426 0.499 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370906457 966578105 /nfs/dbraw/zinc/57/81/05/966578105.db2.gz GOBIJMCGFDGYCC-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370906457 966578121 /nfs/dbraw/zinc/57/81/21/966578121.db2.gz GOBIJMCGFDGYCC-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC2CC2)CC[N@@H+]1C ZINC001371188233 966795110 /nfs/dbraw/zinc/79/51/10/966795110.db2.gz PAOHGOKUSQKSSM-KWCYVHTRSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC2CC2)CC[N@H+]1C ZINC001371188233 966795118 /nfs/dbraw/zinc/79/51/18/966795118.db2.gz PAOHGOKUSQKSSM-KWCYVHTRSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001381965255 966823045 /nfs/dbraw/zinc/82/30/45/966823045.db2.gz DBBCEZHAZSYVCO-QEJZJMRPSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1cncn1C ZINC001371245237 966843162 /nfs/dbraw/zinc/84/31/62/966843162.db2.gz KDZFAEWYUOZRGU-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H](CNCC(N)=O)C1CC1 ZINC001382022301 966871062 /nfs/dbraw/zinc/87/10/62/966871062.db2.gz YZWQWEWUBKIVTM-CQSZACIVSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NCC1CC1 ZINC001382161965 966994072 /nfs/dbraw/zinc/99/40/72/966994072.db2.gz MVEYEKWTEZPAMB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001371464453 967012968 /nfs/dbraw/zinc/01/29/68/967012968.db2.gz ATGOBNUNKDPNGT-OCCSQVGLSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001371464453 967012975 /nfs/dbraw/zinc/01/29/75/967012975.db2.gz ATGOBNUNKDPNGT-OCCSQVGLSA-N 1 3 306.410 0.636 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001371507161 967053167 /nfs/dbraw/zinc/05/31/67/967053167.db2.gz HJCLFSDWFXASCU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001371507161 967053176 /nfs/dbraw/zinc/05/31/76/967053176.db2.gz HJCLFSDWFXASCU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](CO)NCc1ccccc1)[NH+](C)C ZINC001382209892 967071837 /nfs/dbraw/zinc/07/18/37/967071837.db2.gz KJOLFKWMSRKXCL-HOTGVXAUSA-N 1 3 307.438 0.840 20 0 DCADHO CCCC[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001371533222 967090718 /nfs/dbraw/zinc/09/07/18/967090718.db2.gz RVQZSVXOJTZCFM-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)[C@@H]1C ZINC001382300297 967182138 /nfs/dbraw/zinc/18/21/38/967182138.db2.gz CLRAJDAIALRFLB-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCc1cnn(C)c1 ZINC001448012852 1013705156 /nfs/dbraw/zinc/70/51/56/1013705156.db2.gz DQQFLNQQFAKXKH-IIAWOOMASA-N 1 3 321.469 0.739 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCc1cnn(C)c1 ZINC001448012852 1013705164 /nfs/dbraw/zinc/70/51/64/1013705164.db2.gz DQQFLNQQFAKXKH-IIAWOOMASA-N 1 3 321.469 0.739 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001371868712 967404311 /nfs/dbraw/zinc/40/43/11/967404311.db2.gz LDGFWUSCYGZBDN-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382989576 967830592 /nfs/dbraw/zinc/83/05/92/967830592.db2.gz AUGIVBCSCFUWFE-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382989576 967830607 /nfs/dbraw/zinc/83/06/07/967830607.db2.gz AUGIVBCSCFUWFE-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001372511005 968064604 /nfs/dbraw/zinc/06/46/04/968064604.db2.gz CFQNJYVBSSTRLD-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001372527357 968087158 /nfs/dbraw/zinc/08/71/58/968087158.db2.gz RPMKPNPRCYPXDC-LBPRGKRZSA-N 1 3 319.409 0.011 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21)N(C)C ZINC001372719186 968288393 /nfs/dbraw/zinc/28/83/93/968288393.db2.gz CFHXMEZUPJRSOL-CTASWTNQSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21)N(C)C ZINC001372719186 968288402 /nfs/dbraw/zinc/28/84/02/968288402.db2.gz CFHXMEZUPJRSOL-CTASWTNQSA-N 1 3 324.469 0.241 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001373157724 968768286 /nfs/dbraw/zinc/76/82/86/968768286.db2.gz YXAKEOLQIFNGRD-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[N@H+](CCn1cccn1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373296977 968910935 /nfs/dbraw/zinc/91/09/35/968910935.db2.gz CQQMQYPNGBYGTJ-CQSZACIVSA-N 1 3 316.409 0.629 20 0 DCADHO C[N@@H+](CCn1cccn1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373296977 968910944 /nfs/dbraw/zinc/91/09/44/968910944.db2.gz CQQMQYPNGBYGTJ-CQSZACIVSA-N 1 3 316.409 0.629 20 0 DCADHO CN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)[C@H]1CCCN1C ZINC001373492533 969152439 /nfs/dbraw/zinc/15/24/39/969152439.db2.gz ZUFHISOBWFUQFA-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001373579981 969253908 /nfs/dbraw/zinc/25/39/08/969253908.db2.gz SAQGOSUCRSQVCZ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001373579981 969253915 /nfs/dbraw/zinc/25/39/15/969253915.db2.gz SAQGOSUCRSQVCZ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448355689 1013884229 /nfs/dbraw/zinc/88/42/29/1013884229.db2.gz MSQXGBGJQDCDSN-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001448454678 1013917089 /nfs/dbraw/zinc/91/70/89/1013917089.db2.gz WHPPWFJIMINRQM-YHUYYLMFSA-N 1 3 309.454 0.657 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001448454678 1013917095 /nfs/dbraw/zinc/91/70/95/1013917095.db2.gz WHPPWFJIMINRQM-YHUYYLMFSA-N 1 3 309.454 0.657 20 0 DCADHO C[C@H](NCc1ccnn1C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001448471541 1013923430 /nfs/dbraw/zinc/92/34/30/1013923430.db2.gz UAFGAPSXIJKDFN-ZFWWWQNUSA-N 1 3 323.441 0.077 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001448526259 1013942171 /nfs/dbraw/zinc/94/21/71/1013942171.db2.gz NSZUJGJTWJBTFE-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001448871789 1014078613 /nfs/dbraw/zinc/07/86/13/1014078613.db2.gz FLUJPQNRTDCYIY-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCc2ccccc2)C1 ZINC001448942615 1014103010 /nfs/dbraw/zinc/10/30/10/1014103010.db2.gz GMLNEZUIWABICR-JKSUJKDBSA-N 1 3 305.422 0.595 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCc2ccccc2)C1 ZINC001448942615 1014103013 /nfs/dbraw/zinc/10/30/13/1014103013.db2.gz GMLNEZUIWABICR-JKSUJKDBSA-N 1 3 305.422 0.595 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)[C@H]1C ZINC001448984633 1014118083 /nfs/dbraw/zinc/11/80/83/1014118083.db2.gz UEIVCXQUXVSIDJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)[C@H]1C ZINC001448984633 1014118086 /nfs/dbraw/zinc/11/80/86/1014118086.db2.gz UEIVCXQUXVSIDJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001449016859 1014135166 /nfs/dbraw/zinc/13/51/66/1014135166.db2.gz PYGHRIKLEBEOQB-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001449016859 1014135169 /nfs/dbraw/zinc/13/51/69/1014135169.db2.gz PYGHRIKLEBEOQB-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001449033096 1014148732 /nfs/dbraw/zinc/14/87/32/1014148732.db2.gz SJOMZWWYMJHYJA-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)CC1(C(=O)N2C[C@@H](N[C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC001449093430 1014183941 /nfs/dbraw/zinc/18/39/41/1014183941.db2.gz KWDFITYPUZWNAZ-QWHCGFSZSA-N 1 3 322.453 0.043 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001549298427 1014207121 /nfs/dbraw/zinc/20/71/21/1014207121.db2.gz DHQJQJJVELPTGR-OAGGEKHMSA-N 1 3 303.406 0.627 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449288542 1014385032 /nfs/dbraw/zinc/38/50/32/1014385032.db2.gz DXKIIGFXJFXMRK-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](N(C)C)[C@H](n2ccnn2)C1)[NH+](C)C ZINC001549673544 1014402583 /nfs/dbraw/zinc/40/25/83/1014402583.db2.gz PEWHZZNCEOWLOT-MGPQQGTHSA-N 1 3 308.430 0.178 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnn3c2CNCC3)C1 ZINC001549751958 1014445566 /nfs/dbraw/zinc/44/55/66/1014445566.db2.gz IMXNAFDCSZEPAK-INMHGKMJSA-N 1 3 319.453 0.847 20 0 DCADHO CN(CC(=O)NC1(C2CC[NH+](CCO)CC2)CC1)C1CCC1 ZINC001449401157 1014459625 /nfs/dbraw/zinc/45/96/25/1014459625.db2.gz KNQGPDLLWKCMFT-UHFFFAOYSA-N 1 3 309.454 0.824 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001449453278 1014486565 /nfs/dbraw/zinc/48/65/65/1014486565.db2.gz ASYRARWQLZLTDV-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001449453278 1014486568 /nfs/dbraw/zinc/48/65/68/1014486568.db2.gz ASYRARWQLZLTDV-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO NCc1cn([C@H]2CCN(C(=O)CCC3CC[NH2+]CC3)C2)nn1 ZINC001550094609 1014563522 /nfs/dbraw/zinc/56/35/22/1014563522.db2.gz VGRFLDDBHYARIQ-AWEZNQCLSA-N 1 3 306.414 0.290 20 0 DCADHO NCc1cn([C@H]2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001550095756 1014566721 /nfs/dbraw/zinc/56/67/21/1014566721.db2.gz RCGWUGZWYMQDRD-JSGCOSHPSA-N 1 3 306.414 0.290 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC001550174678 1014611123 /nfs/dbraw/zinc/61/11/23/1014611123.db2.gz IPKHQIJOFNZIBM-UONOGXRCSA-N 1 3 312.433 0.492 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)C2)nn1 ZINC001550188404 1014617026 /nfs/dbraw/zinc/61/70/26/1014617026.db2.gz WBXPPJFITSNNHX-JGGQBBKZSA-N 1 3 318.425 0.290 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC001550199613 1014623595 /nfs/dbraw/zinc/62/35/95/1014623595.db2.gz CKUOSHDWHSNNIJ-CQSZACIVSA-N 1 3 322.453 0.318 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC001550202564 1014624912 /nfs/dbraw/zinc/62/49/12/1014624912.db2.gz OUCUFQVECFKKIP-AWEZNQCLSA-N 1 3 322.453 0.446 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC001550205749 1014628783 /nfs/dbraw/zinc/62/87/83/1014628783.db2.gz XNIWSBRIUMQHCF-KBPBESRZSA-N 1 3 322.453 0.446 20 0 DCADHO [NH3+][C@@]1(CO)CCCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001550730725 1014822625 /nfs/dbraw/zinc/82/26/25/1014822625.db2.gz HQRFDVDCMLKWKH-RDJZCZTQSA-N 1 3 318.421 0.369 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550910957 1014909211 /nfs/dbraw/zinc/90/92/11/1014909211.db2.gz CPJWWPLYHZAKJP-CZUORRHYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001450101463 1014910826 /nfs/dbraw/zinc/91/08/26/1014910826.db2.gz UGHDVPFYVXSREU-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)C1 ZINC001551213059 1014998198 /nfs/dbraw/zinc/99/81/98/1014998198.db2.gz QVSXPFIJQALOCP-RBSFLKMASA-N 1 3 310.442 0.179 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@@H]3C2)C1 ZINC001551213059 1014998205 /nfs/dbraw/zinc/99/82/05/1014998205.db2.gz QVSXPFIJQALOCP-RBSFLKMASA-N 1 3 310.442 0.179 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)CN1CCCC1 ZINC001383078794 984659959 /nfs/dbraw/zinc/65/99/59/984659959.db2.gz CEJNJHBMXVBOKP-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551465535 1015100829 /nfs/dbraw/zinc/10/08/29/1015100829.db2.gz MSKHEKGFMZZKOC-KBPBESRZSA-N 1 3 322.453 0.681 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551495215 1015116490 /nfs/dbraw/zinc/11/64/90/1015116490.db2.gz BKFKXLIJHZNHNG-HCEZTOJASA-N 1 3 324.469 0.927 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385264876 986195902 /nfs/dbraw/zinc/19/59/02/986195902.db2.gz XTOPWZLXZRILLV-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385264876 986195908 /nfs/dbraw/zinc/19/59/08/986195908.db2.gz XTOPWZLXZRILLV-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001385628738 986483994 /nfs/dbraw/zinc/48/39/94/986483994.db2.gz SIESGQSQKBENPZ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001385628738 986484001 /nfs/dbraw/zinc/48/40/01/986484001.db2.gz SIESGQSQKBENPZ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001385706900 986536584 /nfs/dbraw/zinc/53/65/84/986536584.db2.gz XBYGGQCTRKZULK-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001385942026 986699281 /nfs/dbraw/zinc/69/92/81/986699281.db2.gz QUHJNQSLMIERDW-AAVRWANBSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001385942026 986699287 /nfs/dbraw/zinc/69/92/87/986699287.db2.gz QUHJNQSLMIERDW-AAVRWANBSA-N 1 3 310.442 0.042 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC001552011874 1015247337 /nfs/dbraw/zinc/24/73/37/1015247337.db2.gz QWCGRNQBYSEXOE-OWCLPIDISA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001386484467 987171272 /nfs/dbraw/zinc/17/12/72/987171272.db2.gz ZVJHDRUDJKWDRH-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO COC1CCN(CCNC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552155845 1015295780 /nfs/dbraw/zinc/29/57/80/1015295780.db2.gz XQRUPWTUBJOEJV-CVEARBPZSA-N 1 3 309.454 0.849 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001387025316 987573746 /nfs/dbraw/zinc/57/37/46/987573746.db2.gz BWUNJCYNZBTWNO-KBPBESRZSA-N 1 3 314.474 0.487 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)N(C)C)cc1 ZINC001552200012 1015319283 /nfs/dbraw/zinc/31/92/83/1015319283.db2.gz KQJOJIFBGUINNX-XYJFISCASA-N 1 3 317.433 0.950 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001387093729 987627942 /nfs/dbraw/zinc/62/79/42/987627942.db2.gz KQNCCSFQWILSTA-CQSZACIVSA-N 1 3 300.447 0.099 20 0 DCADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552218061 1015336328 /nfs/dbraw/zinc/33/63/28/1015336328.db2.gz KZGBZKFSWCCORB-JLJPHGGASA-N 1 3 317.389 0.522 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001388727758 988543220 /nfs/dbraw/zinc/54/32/20/988543220.db2.gz QTBIDQTYNCPWNV-KBUPBQIOSA-N 1 3 322.453 0.043 20 0 DCADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[C@H](N2CCCC2)C1 ZINC001552434083 1015432162 /nfs/dbraw/zinc/43/21/62/1015432162.db2.gz ABXTYZCQQZBBSV-AWEZNQCLSA-N 1 3 318.425 0.513 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(N(C)C(=O)CN2CCCC2)CC1 ZINC001389346550 989142070 /nfs/dbraw/zinc/14/20/70/989142070.db2.gz PCDOVZUFDRNVLE-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO Cc1nc([C@H](C)N[C@@H](CNC(=O)CC[NH+](C)C)C2CC2)n[nH]1 ZINC001389640982 989455808 /nfs/dbraw/zinc/45/58/08/989455808.db2.gz KSKYSUBLHXYOIZ-GWCFXTLKSA-N 1 3 308.430 0.610 20 0 DCADHO Cc1nc([C@H](C)N[C@H](CNC(=O)CC[NH+](C)C)C2CC2)n[nH]1 ZINC001389640990 989455902 /nfs/dbraw/zinc/45/59/02/989455902.db2.gz KSKYSUBLHXYOIZ-GXFFZTMASA-N 1 3 308.430 0.610 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1)[NH+](CC)CC ZINC001389802725 989592854 /nfs/dbraw/zinc/59/28/54/989592854.db2.gz NRBRCBKYOSLCTI-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001389997267 989737258 /nfs/dbraw/zinc/73/72/58/989737258.db2.gz CHFWPAZXBDSBIW-KBXIAJHMSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390511116 990162286 /nfs/dbraw/zinc/16/22/86/990162286.db2.gz OZUJZYPNKAEASX-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001390572795 990210664 /nfs/dbraw/zinc/21/06/64/990210664.db2.gz GIMYQFUDNKGIDE-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001390610767 990243338 /nfs/dbraw/zinc/24/33/38/990243338.db2.gz JESXOUCDPDCDGJ-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001391689875 991100340 /nfs/dbraw/zinc/10/03/40/991100340.db2.gz XSBROXSMLMIGHD-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001391689875 991100343 /nfs/dbraw/zinc/10/03/43/991100343.db2.gz XSBROXSMLMIGHD-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001391698726 991108772 /nfs/dbraw/zinc/10/87/72/991108772.db2.gz UOIICOBOZLCHDR-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001391752894 991159696 /nfs/dbraw/zinc/15/96/96/991159696.db2.gz KOXFNWCMQAXZJA-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001392072071 991464145 /nfs/dbraw/zinc/46/41/45/991464145.db2.gz KULTXXCHJFIESI-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001392123373 991522610 /nfs/dbraw/zinc/52/26/10/991522610.db2.gz MZRKQCCCBVMTKB-KGLIPLIRSA-N 1 3 314.474 0.630 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)CN1CCCC1 ZINC001392136875 991537332 /nfs/dbraw/zinc/53/73/32/991537332.db2.gz WQAVFBKEAPEJDP-AWEZNQCLSA-N 1 3 320.437 0.418 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(N)=O)CC(C)C)CC[N@@H+]1C ZINC001392150487 991550804 /nfs/dbraw/zinc/55/08/04/991550804.db2.gz ILFQZFSRAYWXJJ-MELADBBJSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(N)=O)CC(C)C)CC[N@H+]1C ZINC001392150487 991550814 /nfs/dbraw/zinc/55/08/14/991550814.db2.gz ILFQZFSRAYWXJJ-MELADBBJSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cncn1C)C(C)C)N(C)C ZINC001392234595 991636696 /nfs/dbraw/zinc/63/66/96/991636696.db2.gz PMELMWRNFBONNG-CABCVRRESA-N 1 3 309.458 0.991 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001392348225 991786540 /nfs/dbraw/zinc/78/65/40/991786540.db2.gz XPYJUEULLGPYLX-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cncc(C[NH2+]C[C@@H](O)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001392402521 991878389 /nfs/dbraw/zinc/87/83/89/991878389.db2.gz PNTYXMSURSFCNK-CZUORRHYSA-N 1 3 320.437 0.299 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001392423942 991908664 /nfs/dbraw/zinc/90/86/64/991908664.db2.gz RVKDBADUZZMLAT-HUUCEWRRSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001392568014 992106581 /nfs/dbraw/zinc/10/65/81/992106581.db2.gz OIRAAPYXCJYOIT-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001392724049 992320867 /nfs/dbraw/zinc/32/08/67/992320867.db2.gz FCSCQYYMTORIAV-KGLIPLIRSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001392724049 992320874 /nfs/dbraw/zinc/32/08/74/992320874.db2.gz FCSCQYYMTORIAV-KGLIPLIRSA-N 1 3 322.457 0.542 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392813784 992419700 /nfs/dbraw/zinc/41/97/00/992419700.db2.gz SYBBRYFSZUULOK-GOEBONIOSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392813784 992419707 /nfs/dbraw/zinc/41/97/07/992419707.db2.gz SYBBRYFSZUULOK-GOEBONIOSA-N 1 3 319.453 0.665 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001392813771 992419758 /nfs/dbraw/zinc/41/97/58/992419758.db2.gz SXCJNQPXHAZLHE-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001392813771 992419762 /nfs/dbraw/zinc/41/97/62/992419762.db2.gz SXCJNQPXHAZLHE-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CN1CC[C@@H](N2CC[C@@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)C1=O ZINC001392990058 992605500 /nfs/dbraw/zinc/60/55/00/992605500.db2.gz CVAVULCOYJOGQX-RHSMWYFYSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001393088299 992671502 /nfs/dbraw/zinc/67/15/02/992671502.db2.gz PELJMPJAFLIVKV-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@]1(C[NH2+]C[C@H]2CCOC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393168385 992725569 /nfs/dbraw/zinc/72/55/69/992725569.db2.gz WQUZNAPCSQFZBQ-CZUORRHYSA-N 1 3 306.410 0.817 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001393396538 992942483 /nfs/dbraw/zinc/94/24/83/992942483.db2.gz KYZOTOJGZSKLJO-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001393402993 992949185 /nfs/dbraw/zinc/94/91/85/992949185.db2.gz ZHGKHBJKPQUMNH-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001393474080 993020247 /nfs/dbraw/zinc/02/02/47/993020247.db2.gz QDUGLOCBYFOFSQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001393655601 993158405 /nfs/dbraw/zinc/15/84/05/993158405.db2.gz KAJJYLBMUROAPH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001393655601 993158411 /nfs/dbraw/zinc/15/84/11/993158411.db2.gz KAJJYLBMUROAPH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001393902459 993332958 /nfs/dbraw/zinc/33/29/58/993332958.db2.gz WAELNFKPZXWHKY-WLYUNCDWSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001393926658 993347743 /nfs/dbraw/zinc/34/77/43/993347743.db2.gz HHGMUNPMIBMLIE-ZIAGYGMSSA-N 1 3 321.469 0.930 20 0 DCADHO CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394027524 993417206 /nfs/dbraw/zinc/41/72/06/993417206.db2.gz DUZZIOTYUPYQRC-UHFFFAOYSA-N 1 3 309.414 0.163 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCn1cncn1 ZINC001394071858 993456105 /nfs/dbraw/zinc/45/61/05/993456105.db2.gz WKWYIFSHFUIOCP-DZGCQCFKSA-N 1 3 320.441 0.056 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001394540408 993811929 /nfs/dbraw/zinc/81/19/29/993811929.db2.gz FTGBCCZVWQHVHH-QWHCGFSZSA-N 1 3 320.437 0.672 20 0 DCADHO Cc1ncc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001394559477 993828105 /nfs/dbraw/zinc/82/81/05/993828105.db2.gz MQCBSNYRCLFEIL-IUODEOHRSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001394559477 993828110 /nfs/dbraw/zinc/82/81/10/993828110.db2.gz MQCBSNYRCLFEIL-IUODEOHRSA-N 1 3 305.426 0.673 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001394671918 994002539 /nfs/dbraw/zinc/00/25/39/994002539.db2.gz DUPCSZPEMHAIPW-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C(C)(C)C)N(C)C ZINC001394833905 994195834 /nfs/dbraw/zinc/19/58/34/994195834.db2.gz KNEOCXZPMCRGQJ-NEPJUHHUSA-N 1 3 300.447 0.193 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CCN([C@H]2CCCNC2=O)CC1 ZINC001394846061 994207414 /nfs/dbraw/zinc/20/74/14/994207414.db2.gz VTKBYFRWIVRUQG-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001400187393 994254265 /nfs/dbraw/zinc/25/42/65/994254265.db2.gz RXOJXAXXLKLGKU-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(C)C(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400187393 994254277 /nfs/dbraw/zinc/25/42/77/994254277.db2.gz RXOJXAXXLKLGKU-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001400237061 994322057 /nfs/dbraw/zinc/32/20/57/994322057.db2.gz LGQGVCKDSURLFB-KGLIPLIRSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001400252845 994342634 /nfs/dbraw/zinc/34/26/34/994342634.db2.gz XIUXRHYKFDJGII-HIFRSBDPSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001400252845 994342641 /nfs/dbraw/zinc/34/26/41/994342641.db2.gz XIUXRHYKFDJGII-HIFRSBDPSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001395128168 994451944 /nfs/dbraw/zinc/45/19/44/994451944.db2.gz GJIIYLHWXPBUEL-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001395128168 994451948 /nfs/dbraw/zinc/45/19/48/994451948.db2.gz GJIIYLHWXPBUEL-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400760055 994891402 /nfs/dbraw/zinc/89/14/02/994891402.db2.gz WVVQDZSSMUZVGZ-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001400915128 995061239 /nfs/dbraw/zinc/06/12/39/995061239.db2.gz TZMWNYPSRYOOQT-HIFRSBDPSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001400915128 995061247 /nfs/dbraw/zinc/06/12/47/995061247.db2.gz TZMWNYPSRYOOQT-HIFRSBDPSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001401075448 995153434 /nfs/dbraw/zinc/15/34/34/995153434.db2.gz FTBUXZRFEDIOJF-CYBMUJFWSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@]2(O)CCCNC2)C1 ZINC001573408364 1163429655 /nfs/dbraw/zinc/42/96/55/1163429655.db2.gz XDRWQOVFFBFCSI-YOEHRIQHSA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@]2(O)CCCNC2)C1 ZINC001573408364 1163429666 /nfs/dbraw/zinc/42/96/66/1163429666.db2.gz XDRWQOVFFBFCSI-YOEHRIQHSA-N 1 3 311.470 0.975 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001397059621 995775996 /nfs/dbraw/zinc/77/59/96/995775996.db2.gz WXHHQJBVDSAIQJ-OTVXOJSOSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001397466392 996015563 /nfs/dbraw/zinc/01/55/63/996015563.db2.gz JLBOHYSYRKVZEL-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001397609985 996094818 /nfs/dbraw/zinc/09/48/18/996094818.db2.gz DDKHGDDVBAFXHP-MELADBBJSA-N 1 3 312.458 0.288 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001507126012 1016010049 /nfs/dbraw/zinc/01/00/49/1016010049.db2.gz KLEYWYCWSUERLM-STQMWFEESA-N 1 3 314.474 0.535 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)CN1CCC[C@@H]1C ZINC001398034394 996326594 /nfs/dbraw/zinc/32/65/94/996326594.db2.gz MOGQOWXIULHSFO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CN1CCC[C@@H]1C ZINC001398034394 996326599 /nfs/dbraw/zinc/32/65/99/996326599.db2.gz MOGQOWXIULHSFO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNC(=O)CN(C)C(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001398108023 996367855 /nfs/dbraw/zinc/36/78/55/996367855.db2.gz GCZURJDICHDXJH-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNC(=O)CN(C)C(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001398108023 996367861 /nfs/dbraw/zinc/36/78/61/996367861.db2.gz GCZURJDICHDXJH-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H]([NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001398433394 996513688 /nfs/dbraw/zinc/51/36/88/996513688.db2.gz BJQPHICYCWCASM-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)CC[NH+](C)C)C2CC2)cn1 ZINC001398436193 996513777 /nfs/dbraw/zinc/51/37/77/996513777.db2.gz QXVXNZRWXVKOAE-OAHLLOKOSA-N 1 3 305.426 0.721 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001398440259 996516448 /nfs/dbraw/zinc/51/64/48/996516448.db2.gz YHYRVEMQYYFTNE-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001398440259 996516451 /nfs/dbraw/zinc/51/64/51/996516451.db2.gz YHYRVEMQYYFTNE-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001398626889 996611393 /nfs/dbraw/zinc/61/13/93/996611393.db2.gz PCEQDGKVZXAFES-RQJABVFESA-N 1 3 310.442 0.184 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001398632290 996614264 /nfs/dbraw/zinc/61/42/64/996614264.db2.gz ZEHAKNVTVVYVSW-FRRDWIJNSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC(CNC(=O)CCC[NH+](C)C)C2)C1 ZINC001398812521 996698345 /nfs/dbraw/zinc/69/83/45/996698345.db2.gz MOSQSRAECQKMSV-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2cncn2C)CC[N@@H+]1C ZINC001398925453 996753290 /nfs/dbraw/zinc/75/32/90/996753290.db2.gz QXJORBSRLBJSFX-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2cncn2C)CC[N@H+]1C ZINC001398925453 996753294 /nfs/dbraw/zinc/75/32/94/996753294.db2.gz QXJORBSRLBJSFX-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001502762678 1016061612 /nfs/dbraw/zinc/06/16/12/1016061612.db2.gz ULLDMVWCOIYVSL-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)CN(CC)CC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001398979427 996792011 /nfs/dbraw/zinc/79/20/11/996792011.db2.gz VRTUIJLQIARXAU-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)CN(CC)CC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001398979427 996792017 /nfs/dbraw/zinc/79/20/17/996792017.db2.gz VRTUIJLQIARXAU-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001399096072 996953307 /nfs/dbraw/zinc/95/33/07/996953307.db2.gz AQJSEFFWJVFESH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001399096072 996953320 /nfs/dbraw/zinc/95/33/20/996953320.db2.gz AQJSEFFWJVFESH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001404319791 996976655 /nfs/dbraw/zinc/97/66/55/996976655.db2.gz AEMNFBRNJJLFAF-CHWSQXEVSA-N 1 3 324.469 0.561 20 0 DCADHO COc1ccc(CN[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001399114730 996985173 /nfs/dbraw/zinc/98/51/73/996985173.db2.gz MUHIWUZWZQMZAE-CYBMUJFWSA-N 1 3 318.421 0.780 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001404337118 997005656 /nfs/dbraw/zinc/00/56/56/997005656.db2.gz WZGBMPQLMYIUGI-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001404337118 997005668 /nfs/dbraw/zinc/00/56/68/997005668.db2.gz WZGBMPQLMYIUGI-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001399125804 997007038 /nfs/dbraw/zinc/00/70/38/997007038.db2.gz UMVOJGFCCJLYKO-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001399125804 997007050 /nfs/dbraw/zinc/00/70/50/997007050.db2.gz UMVOJGFCCJLYKO-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001399263951 997139450 /nfs/dbraw/zinc/13/94/50/997139450.db2.gz PMEFYCGGRGSLAQ-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001399266473 997139971 /nfs/dbraw/zinc/13/99/71/997139971.db2.gz LDMVBSGFTJTVKX-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001404652710 997332986 /nfs/dbraw/zinc/33/29/86/997332986.db2.gz OUXOEZUBRPCJDU-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001404652710 997333004 /nfs/dbraw/zinc/33/30/04/997333004.db2.gz OUXOEZUBRPCJDU-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CCn1ccc(CN[C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001399417286 997334995 /nfs/dbraw/zinc/33/49/95/997334995.db2.gz PMZBSYBLKQMZLK-AWEZNQCLSA-N 1 3 319.453 0.983 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405346865 998138403 /nfs/dbraw/zinc/13/84/03/998138403.db2.gz VHDKYZIHOXHRTM-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001511165218 1016196757 /nfs/dbraw/zinc/19/67/57/1016196757.db2.gz BBIKQMMIVBJCEF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001405519233 998294899 /nfs/dbraw/zinc/29/48/99/998294899.db2.gz COHPDGCWLWHFTA-YDHLFZDLSA-N 1 3 312.458 0.336 20 0 DCADHO CN(CCN1CCCC1=O)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001505444757 1016249609 /nfs/dbraw/zinc/24/96/09/1016249609.db2.gz HHRPCRBFSFHTJC-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C[C@@H]1C ZINC001507327267 1016255429 /nfs/dbraw/zinc/25/54/29/1016255429.db2.gz IRYNYZAVDKRZOM-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001505521600 1016285057 /nfs/dbraw/zinc/28/50/57/1016285057.db2.gz HDYSUICOFNHJQZ-JXQTWKCFSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)C[NH+]1CCC(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001469664344 1016353726 /nfs/dbraw/zinc/35/37/26/1016353726.db2.gz MXOCZAMMXYAWCV-JKSUJKDBSA-N 1 3 309.454 0.632 20 0 DCADHO COC(=O)C[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001418426504 1000212137 /nfs/dbraw/zinc/21/21/37/1000212137.db2.gz LRPBMDLECQLNHN-STQMWFEESA-N 1 3 301.431 0.574 20 0 DCADHO COC(=O)C[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001418426504 1000212140 /nfs/dbraw/zinc/21/21/40/1000212140.db2.gz LRPBMDLECQLNHN-STQMWFEESA-N 1 3 301.431 0.574 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCc1cnn(C)c1 ZINC001418513522 1000302854 /nfs/dbraw/zinc/30/28/54/1000302854.db2.gz YIIYUWJLYKJEDX-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCc1cnn(C)c1 ZINC001418513522 1000302859 /nfs/dbraw/zinc/30/28/59/1000302859.db2.gz YIIYUWJLYKJEDX-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401257262 1000314178 /nfs/dbraw/zinc/31/41/78/1000314178.db2.gz QWHVMSVNEACXIS-ZDUSSCGKSA-N 1 3 319.453 0.761 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1ccn(C)n1 ZINC001401298130 1000337793 /nfs/dbraw/zinc/33/77/93/1000337793.db2.gz ODWYPACEUNSVRF-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418645657 1000418254 /nfs/dbraw/zinc/41/82/54/1000418254.db2.gz HOBIFVWVZCFNHX-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2ccccc2F)CC[N@@H+]1C ZINC001401513348 1000464377 /nfs/dbraw/zinc/46/43/77/1000464377.db2.gz UICQSIXRWXHHRY-BPLDGKMQSA-N 1 3 323.412 0.733 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2ccccc2F)CC[N@H+]1C ZINC001401513348 1000464379 /nfs/dbraw/zinc/46/43/79/1000464379.db2.gz UICQSIXRWXHHRY-BPLDGKMQSA-N 1 3 323.412 0.733 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2ccccc2F)CC[N@@H+]1C ZINC001401513353 1000464694 /nfs/dbraw/zinc/46/46/94/1000464694.db2.gz UICQSIXRWXHHRY-VHDGCEQUSA-N 1 3 323.412 0.733 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2ccccc2F)CC[N@H+]1C ZINC001401513353 1000464696 /nfs/dbraw/zinc/46/46/96/1000464696.db2.gz UICQSIXRWXHHRY-VHDGCEQUSA-N 1 3 323.412 0.733 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCCCO1)C1CCC1 ZINC001401546408 1000483759 /nfs/dbraw/zinc/48/37/59/1000483759.db2.gz HWQSPJOHPUGTOE-LSDHHAIUSA-N 1 3 313.442 0.107 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401598531 1000533518 /nfs/dbraw/zinc/53/35/18/1000533518.db2.gz VEMSLWCEODDFPD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401598531 1000533522 /nfs/dbraw/zinc/53/35/22/1000533522.db2.gz VEMSLWCEODDFPD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001418813031 1000540490 /nfs/dbraw/zinc/54/04/90/1000540490.db2.gz KPWGENLAUUWYOP-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001401649514 1000589239 /nfs/dbraw/zinc/58/92/39/1000589239.db2.gz XJRNHJHQBCVALM-MCIONIFRSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001418913006 1000611031 /nfs/dbraw/zinc/61/10/31/1000611031.db2.gz NGVYPMWZBJTAQY-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001401978238 1000921628 /nfs/dbraw/zinc/92/16/28/1000921628.db2.gz BTPMXSAREWQVKV-XJKSGUPXSA-N 1 3 318.421 0.926 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402015521 1000947779 /nfs/dbraw/zinc/94/77/79/1000947779.db2.gz RDJBUYVVGVYKLD-WMLDXEAASA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402015521 1000947784 /nfs/dbraw/zinc/94/77/84/1000947784.db2.gz RDJBUYVVGVYKLD-WMLDXEAASA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402051612 1000975149 /nfs/dbraw/zinc/97/51/49/1000975149.db2.gz SIYKTTZDHVOAGQ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCCF)[NH+]1CCCC1 ZINC001507567977 1016457610 /nfs/dbraw/zinc/45/76/10/1016457610.db2.gz PCDQVHQZJQHTBX-KBPBESRZSA-N 1 3 303.422 0.485 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001419500398 1001100724 /nfs/dbraw/zinc/10/07/24/1001100724.db2.gz LRMOEZSHYKSAHG-GASCZTMLSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)C1CC[NH+](C)CC1 ZINC001419523524 1001114942 /nfs/dbraw/zinc/11/49/42/1001114942.db2.gz UTEHYMIBYORGNN-CYBMUJFWSA-N 1 3 307.442 0.604 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001419614445 1001172221 /nfs/dbraw/zinc/17/22/21/1001172221.db2.gz LKOAZOQQNOWVLY-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001419622339 1001177591 /nfs/dbraw/zinc/17/75/91/1001177591.db2.gz CHPICICEJYTYAK-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CCCC1 ZINC001419633270 1001182415 /nfs/dbraw/zinc/18/24/15/1001182415.db2.gz QBMRWSQISJIUAA-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNCc1cnnn1C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419716273 1001243338 /nfs/dbraw/zinc/24/33/38/1001243338.db2.gz HRHCHZYYAQDWNY-STQMWFEESA-N 1 3 308.430 0.093 20 0 DCADHO C[C@@H](CNCc1cnnn1C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419716273 1001243343 /nfs/dbraw/zinc/24/33/43/1001243343.db2.gz HRHCHZYYAQDWNY-STQMWFEESA-N 1 3 308.430 0.093 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CCCO)C2)C1 ZINC001402400328 1001280753 /nfs/dbraw/zinc/28/07/53/1001280753.db2.gz XHUJJWUNZSVEFN-CVEARBPZSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCCO)C2)C1 ZINC001402400328 1001280757 /nfs/dbraw/zinc/28/07/57/1001280757.db2.gz XHUJJWUNZSVEFN-CVEARBPZSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)CC1CC1 ZINC001419778556 1001300550 /nfs/dbraw/zinc/30/05/50/1001300550.db2.gz RLYWTGUUNSJTKY-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402461308 1001333611 /nfs/dbraw/zinc/33/36/11/1001333611.db2.gz KGXTZBBLPPFYRP-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)C(N)=O)CC1 ZINC001402511542 1001371232 /nfs/dbraw/zinc/37/12/32/1001371232.db2.gz VQULIPRVSIVOBM-MGPQQGTHSA-N 1 3 312.458 0.465 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001402602053 1001435091 /nfs/dbraw/zinc/43/50/91/1001435091.db2.gz CHPOAJIRYWDONA-WCFLWFBJSA-N 1 3 308.430 0.753 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001402626843 1001448607 /nfs/dbraw/zinc/44/86/07/1001448607.db2.gz LUQDHNYUQOZJBB-OKILXGFUSA-N 1 3 322.457 0.685 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001402626843 1001448609 /nfs/dbraw/zinc/44/86/09/1001448609.db2.gz LUQDHNYUQOZJBB-OKILXGFUSA-N 1 3 322.457 0.685 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001402636147 1001453816 /nfs/dbraw/zinc/45/38/16/1001453816.db2.gz WCIZBZAMLURNIS-RQJABVFESA-N 1 3 310.442 0.184 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC(C)C ZINC001402891265 1001559731 /nfs/dbraw/zinc/55/97/31/1001559731.db2.gz KEWHKWBDGLILAM-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC(C)C ZINC001402891265 1001559735 /nfs/dbraw/zinc/55/97/35/1001559735.db2.gz KEWHKWBDGLILAM-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001402895769 1001562122 /nfs/dbraw/zinc/56/21/22/1001562122.db2.gz VVBSUAYDXICZPD-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001402895769 1001562126 /nfs/dbraw/zinc/56/21/26/1001562126.db2.gz VVBSUAYDXICZPD-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001403066841 1001657541 /nfs/dbraw/zinc/65/75/41/1001657541.db2.gz QZIDSRCVCAPWTR-SSDMNJCBSA-N 1 3 307.442 0.745 20 0 DCADHO CN(CC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1CCCCN1C ZINC001419991130 1001748511 /nfs/dbraw/zinc/74/85/11/1001748511.db2.gz BDOKQJALQAVXBN-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CC[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1CCCCN1C ZINC001419991130 1001748514 /nfs/dbraw/zinc/74/85/14/1001748514.db2.gz BDOKQJALQAVXBN-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001403238893 1001756171 /nfs/dbraw/zinc/75/61/71/1001756171.db2.gz DSCHJZPPLQKEDT-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001403253244 1001763353 /nfs/dbraw/zinc/76/33/53/1001763353.db2.gz XFEJIOMWMQRAOW-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001403273682 1001773315 /nfs/dbraw/zinc/77/33/15/1001773315.db2.gz HFDZTWLNVHFYJV-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]([NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001424724619 1001953767 /nfs/dbraw/zinc/95/37/67/1001953767.db2.gz JIQYNZAJVVIPAT-IYXRBSQSSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)CN2CCCC2)ncn1 ZINC001403460852 1001987403 /nfs/dbraw/zinc/98/74/03/1001987403.db2.gz DRRRFAGVDKRYOE-ZDUSSCGKSA-N 1 3 305.426 0.865 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001403487278 1002021178 /nfs/dbraw/zinc/02/11/78/1002021178.db2.gz NJVUCZWYDLATAK-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO C[C@@H](CC[NH2+][C@H]1CCCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001420217789 1002061798 /nfs/dbraw/zinc/06/17/98/1002061798.db2.gz ARMVEKDKPDSCRF-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CN1CCCC1 ZINC001420248433 1002110605 /nfs/dbraw/zinc/11/06/05/1002110605.db2.gz GZVMZVFVYZJYPV-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC1CCCC1 ZINC001403571938 1002157391 /nfs/dbraw/zinc/15/73/91/1002157391.db2.gz ATBCREADAZQUJQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001403596852 1002186174 /nfs/dbraw/zinc/18/61/74/1002186174.db2.gz HRMSMYWKWJWUBQ-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001403616958 1002215326 /nfs/dbraw/zinc/21/53/26/1002215326.db2.gz BYICMBSYUVNZJV-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403621436 1002224702 /nfs/dbraw/zinc/22/47/02/1002224702.db2.gz CQNQSMVKSRYIQB-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403621436 1002224711 /nfs/dbraw/zinc/22/47/11/1002224711.db2.gz CQNQSMVKSRYIQB-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001420332424 1002240004 /nfs/dbraw/zinc/24/00/04/1002240004.db2.gz CCIMZBSCAFMHOJ-OAHLLOKOSA-N 1 3 321.469 0.835 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001420332424 1002240009 /nfs/dbraw/zinc/24/00/09/1002240009.db2.gz CCIMZBSCAFMHOJ-OAHLLOKOSA-N 1 3 321.469 0.835 20 0 DCADHO Cc1ncsc1CCN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420343671 1002256322 /nfs/dbraw/zinc/25/63/22/1002256322.db2.gz HLJXEHHAFWGICC-CYBMUJFWSA-N 1 3 310.467 0.994 20 0 DCADHO Cc1ncsc1CCN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420343671 1002256330 /nfs/dbraw/zinc/25/63/30/1002256330.db2.gz HLJXEHHAFWGICC-CYBMUJFWSA-N 1 3 310.467 0.994 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001420368202 1002292090 /nfs/dbraw/zinc/29/20/90/1002292090.db2.gz AWTUBHIEOQVEHZ-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001508035943 1016617873 /nfs/dbraw/zinc/61/78/73/1016617873.db2.gz OFTFNBZLSQESNU-LBPRGKRZSA-N 1 3 300.447 0.193 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(CCc2ccnn2C)C1 ZINC001425244116 1002475453 /nfs/dbraw/zinc/47/54/53/1002475453.db2.gz GQYBMNOJZMYBRR-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(CCc2ccnn2C)C1 ZINC001425244116 1002475458 /nfs/dbraw/zinc/47/54/58/1002475458.db2.gz GQYBMNOJZMYBRR-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)C(C)(C)C1)N(C)C ZINC001403832531 1002597640 /nfs/dbraw/zinc/59/76/40/1002597640.db2.gz VVCVPCYXPJYTGB-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001425424221 1002663491 /nfs/dbraw/zinc/66/34/91/1002663491.db2.gz ZTSMPQKBDRQDMP-HDJSIYSDSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001425432982 1002672209 /nfs/dbraw/zinc/67/22/09/1002672209.db2.gz OQSHNFYHJWJBPY-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001425432982 1002672217 /nfs/dbraw/zinc/67/22/17/1002672217.db2.gz OQSHNFYHJWJBPY-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001420732875 1002884105 /nfs/dbraw/zinc/88/41/05/1002884105.db2.gz OKRBSYFQXIRWKD-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)C1=O ZINC001404012269 1002902187 /nfs/dbraw/zinc/90/21/87/1002902187.db2.gz AIQQVSBWURSTRI-YMAMQOFZSA-N 1 3 324.469 0.526 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC)C1 ZINC001420741804 1002902917 /nfs/dbraw/zinc/90/29/17/1002902917.db2.gz RBMWHUXZPCUPSK-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC)C1 ZINC001420741804 1002902923 /nfs/dbraw/zinc/90/29/23/1002902923.db2.gz RBMWHUXZPCUPSK-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001420752874 1002915795 /nfs/dbraw/zinc/91/57/95/1002915795.db2.gz QDHQEAPJQDSKJT-LSDHHAIUSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001420752874 1002915805 /nfs/dbraw/zinc/91/58/05/1002915805.db2.gz QDHQEAPJQDSKJT-LSDHHAIUSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1ncc(CNC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001420789711 1002949611 /nfs/dbraw/zinc/94/96/11/1002949611.db2.gz QXNWKZZPLXIKFU-CVEARBPZSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CNC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001420789711 1002949620 /nfs/dbraw/zinc/94/96/20/1002949620.db2.gz QXNWKZZPLXIKFU-CVEARBPZSA-N 1 3 317.437 0.721 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001472083482 1016726488 /nfs/dbraw/zinc/72/64/88/1016726488.db2.gz LRLNRCRCDXUMNE-AWEZNQCLSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1 ZINC001420954917 1003172530 /nfs/dbraw/zinc/17/25/30/1003172530.db2.gz QGAYXBAABDHWSB-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1 ZINC001420954917 1003172533 /nfs/dbraw/zinc/17/25/33/1003172533.db2.gz QGAYXBAABDHWSB-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](O)C[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001420976220 1003193917 /nfs/dbraw/zinc/19/39/17/1003193917.db2.gz LRPSYHYGTWBXQH-LRDDRELGSA-N 1 3 315.433 0.818 20 0 DCADHO C[C@@H](O)C[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001420976224 1003194635 /nfs/dbraw/zinc/19/46/35/1003194635.db2.gz LRPSYHYGTWBXQH-WBMJQRKESA-N 1 3 315.433 0.818 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001405962314 1003224694 /nfs/dbraw/zinc/22/46/94/1003224694.db2.gz GAUQHJAPAMLWAF-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H](C)C1 ZINC001405963881 1003225000 /nfs/dbraw/zinc/22/50/00/1003225000.db2.gz GQGNPTQYQJGULE-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C[C@@H]1C ZINC001425902833 1003243157 /nfs/dbraw/zinc/24/31/57/1003243157.db2.gz CPSHVSKVEAPXIL-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C/Cl ZINC001406257541 1003535366 /nfs/dbraw/zinc/53/53/66/1003535366.db2.gz QVZNKGLJTZSKPC-AUSWNFFYSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C/Cl ZINC001406257541 1003535372 /nfs/dbraw/zinc/53/53/72/1003535372.db2.gz QVZNKGLJTZSKPC-AUSWNFFYSA-N 1 3 324.252 0.856 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCCN1CC ZINC001406318533 1003599776 /nfs/dbraw/zinc/59/97/76/1003599776.db2.gz HTXUUHBQKFWVDC-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001426161979 1003629148 /nfs/dbraw/zinc/62/91/48/1003629148.db2.gz GIOIWLIDIMUWHU-HIFRSBDPSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001426161979 1003629149 /nfs/dbraw/zinc/62/91/49/1003629149.db2.gz GIOIWLIDIMUWHU-HIFRSBDPSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406359225 1003636561 /nfs/dbraw/zinc/63/65/61/1003636561.db2.gz BNYVKFCHZMZQOB-UKRRQHHQSA-N 1 3 324.469 0.195 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001406363234 1003643275 /nfs/dbraw/zinc/64/32/75/1003643275.db2.gz KRFNWMYWZYBTMB-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001428004247 1003654050 /nfs/dbraw/zinc/65/40/50/1003654050.db2.gz PKYNJTOTCOTWPZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001428004247 1003654056 /nfs/dbraw/zinc/65/40/56/1003654056.db2.gz PKYNJTOTCOTWPZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)CCn1cncn1 ZINC001505989579 1016835957 /nfs/dbraw/zinc/83/59/57/1016835957.db2.gz WVJBZPDTZOHALW-KKUMJFAQSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)CCn1cncn1 ZINC001505989579 1016835974 /nfs/dbraw/zinc/83/59/74/1016835974.db2.gz WVJBZPDTZOHALW-KKUMJFAQSA-N 1 3 322.457 0.445 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001428466281 1003952248 /nfs/dbraw/zinc/95/22/48/1003952248.db2.gz PDGOOJQXRCPGME-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001428466281 1003952258 /nfs/dbraw/zinc/95/22/58/1003952258.db2.gz PDGOOJQXRCPGME-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001406777836 1004083339 /nfs/dbraw/zinc/08/33/39/1004083339.db2.gz NXURMRUZMYWEEI-QEJZJMRPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001406777836 1004083348 /nfs/dbraw/zinc/08/33/48/1004083348.db2.gz NXURMRUZMYWEEI-QEJZJMRPSA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(=O)NC)CC1 ZINC001406923396 1004224772 /nfs/dbraw/zinc/22/47/72/1004224772.db2.gz GQBVRXXBDYZEFZ-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(=O)NC)CC1 ZINC001406923396 1004224783 /nfs/dbraw/zinc/22/47/83/1004224783.db2.gz GQBVRXXBDYZEFZ-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1)[NH+](C)C ZINC001406934122 1004236810 /nfs/dbraw/zinc/23/68/10/1004236810.db2.gz FNJGQHNLRKCKKX-OLZOCXBDSA-N 1 3 310.442 0.090 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001406945022 1004245423 /nfs/dbraw/zinc/24/54/23/1004245423.db2.gz UMERREQNIMEDFT-CYBMUJFWSA-N 1 3 306.414 0.038 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001406945022 1004245433 /nfs/dbraw/zinc/24/54/33/1004245433.db2.gz UMERREQNIMEDFT-CYBMUJFWSA-N 1 3 306.414 0.038 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C2(CNC(=O)CN(C)C(C)C)CC2)n1 ZINC001407008662 1004303629 /nfs/dbraw/zinc/30/36/29/1004303629.db2.gz NSYPMUVPPZWEHM-UHFFFAOYSA-N 1 3 322.457 0.474 20 0 DCADHO CN(C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C1CC1 ZINC001407112721 1004393360 /nfs/dbraw/zinc/39/33/60/1004393360.db2.gz NQGPPCHTNGVCPX-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001407188784 1004456379 /nfs/dbraw/zinc/45/63/79/1004456379.db2.gz FZGXZVCLNVALJO-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001407262018 1004504685 /nfs/dbraw/zinc/50/46/85/1004504685.db2.gz WCYOOWYJTPYTKE-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@]2(C)CCC[N@H+](CCCO)C2)C1 ZINC001407300175 1004528694 /nfs/dbraw/zinc/52/86/94/1004528694.db2.gz OGOMRMIKMAKTLY-DOTOQJQBSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@]2(C)CCC[N@@H+](CCCO)C2)C1 ZINC001407300175 1004528699 /nfs/dbraw/zinc/52/86/99/1004528699.db2.gz OGOMRMIKMAKTLY-DOTOQJQBSA-N 1 3 311.470 0.929 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001407336914 1004560706 /nfs/dbraw/zinc/56/07/06/1004560706.db2.gz VYYUVVXECORVIO-GFCCVEGCSA-N 1 3 307.385 0.394 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001427779430 1004601733 /nfs/dbraw/zinc/60/17/33/1004601733.db2.gz HEUSUFKDUBRTRF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001427779430 1004601736 /nfs/dbraw/zinc/60/17/36/1004601736.db2.gz HEUSUFKDUBRTRF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1ncoc1CN1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407385748 1004614225 /nfs/dbraw/zinc/61/42/25/1004614225.db2.gz KRPGVCZVLORWBQ-MRXNPFEDSA-N 1 3 322.409 0.132 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1cnns1 ZINC001407534987 1004716841 /nfs/dbraw/zinc/71/68/41/1004716841.db2.gz IWVNTDCHJKZOQF-NWDGAFQWSA-N 1 3 311.455 0.674 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCC1 ZINC001407807979 1004874594 /nfs/dbraw/zinc/87/45/94/1004874594.db2.gz YWOPGWOSDLKFDF-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001407906539 1004936660 /nfs/dbraw/zinc/93/66/60/1004936660.db2.gz JGVXIIREWLDFSP-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001407906539 1004936664 /nfs/dbraw/zinc/93/66/64/1004936664.db2.gz JGVXIIREWLDFSP-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001407951226 1004957540 /nfs/dbraw/zinc/95/75/40/1004957540.db2.gz XHDVTPYQAYVUQC-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC(=O)NCC)CC1 ZINC001408100443 1005041405 /nfs/dbraw/zinc/04/14/05/1005041405.db2.gz WFNKYPCPMPEJHY-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001408210870 1005109131 /nfs/dbraw/zinc/10/91/31/1005109131.db2.gz BBLBSFUWDJYHTB-AVGNSLFASA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN(C)C1CCC1 ZINC001408224717 1005114853 /nfs/dbraw/zinc/11/48/53/1005114853.db2.gz MCGSYTNYYWPQCA-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001414197515 1005254278 /nfs/dbraw/zinc/25/42/78/1005254278.db2.gz QMDXCLAVVVYLDA-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001414539722 1005356316 /nfs/dbraw/zinc/35/63/16/1005356316.db2.gz ZFHSHMIATXXTGJ-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001414539722 1005356319 /nfs/dbraw/zinc/35/63/19/1005356319.db2.gz ZFHSHMIATXXTGJ-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CC(=O)N1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001414606220 1005369090 /nfs/dbraw/zinc/36/90/90/1005369090.db2.gz JZQSWDINQDLAST-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001414781688 1005401388 /nfs/dbraw/zinc/40/13/88/1005401388.db2.gz JFRNQLHDOLOBDO-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001414781688 1005401389 /nfs/dbraw/zinc/40/13/89/1005401389.db2.gz JFRNQLHDOLOBDO-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001416005896 1005647359 /nfs/dbraw/zinc/64/73/59/1005647359.db2.gz FXRIOCMQJICABZ-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001416005896 1005647360 /nfs/dbraw/zinc/64/73/60/1005647360.db2.gz FXRIOCMQJICABZ-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001416407651 1005692987 /nfs/dbraw/zinc/69/29/87/1005692987.db2.gz ZWWGWKJFTMZZIR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC ZINC001417814357 1005895318 /nfs/dbraw/zinc/89/53/18/1005895318.db2.gz PJCWHVQWTVAEOK-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]C[C@H]1CCOC1)C1CC1 ZINC001418004784 1005952942 /nfs/dbraw/zinc/95/29/42/1005952942.db2.gz JMKIBVLCJRNHCT-IUODEOHRSA-N 1 3 306.410 0.782 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001418008477 1005954341 /nfs/dbraw/zinc/95/43/41/1005954341.db2.gz GDFBCOYEUDRCRB-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001418008477 1005954342 /nfs/dbraw/zinc/95/43/42/1005954342.db2.gz GDFBCOYEUDRCRB-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+][C@H]2CCCNC2=O)CCCC1 ZINC001438614962 1005960594 /nfs/dbraw/zinc/96/05/94/1005960594.db2.gz WZUDUZANBZEFOQ-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001438635364 1005969550 /nfs/dbraw/zinc/96/95/50/1005969550.db2.gz KYRBJDSASFCPJN-IUODEOHRSA-N 1 3 305.426 0.816 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438678896 1006022819 /nfs/dbraw/zinc/02/28/19/1006022819.db2.gz ZSGVGBVHLOFLHA-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438737549 1006085792 /nfs/dbraw/zinc/08/57/92/1006085792.db2.gz ZCCNIEXUAKNWOW-HZSPNIEDSA-N 1 3 312.458 0.193 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001438737549 1006085802 /nfs/dbraw/zinc/08/58/02/1006085802.db2.gz ZCCNIEXUAKNWOW-HZSPNIEDSA-N 1 3 312.458 0.193 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001438744677 1006090632 /nfs/dbraw/zinc/09/06/32/1006090632.db2.gz VXGNQFTXVCFPRP-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001438780568 1006115346 /nfs/dbraw/zinc/11/53/46/1006115346.db2.gz YOIDMLVDSLZTFC-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)n1 ZINC001418239377 1006227161 /nfs/dbraw/zinc/22/71/61/1006227161.db2.gz MBACYNPQUGUDHT-WFASDCNBSA-N 1 3 324.473 0.575 20 0 DCADHO Cc1nc(CN[C@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001436672945 1006250264 /nfs/dbraw/zinc/25/02/64/1006250264.db2.gz RYSIOYWIVBWORN-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NC2CC2)C1 ZINC001438954192 1006267010 /nfs/dbraw/zinc/26/70/10/1006267010.db2.gz SQJZMERMUZJCFQ-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1)C1CCC1 ZINC001418329907 1006386788 /nfs/dbraw/zinc/38/67/88/1006386788.db2.gz ZMKDSXHYJGDFIB-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001436866399 1006425737 /nfs/dbraw/zinc/42/57/37/1006425737.db2.gz AOIUNLVEXBRRAE-HZSPNIEDSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001439079878 1006446458 /nfs/dbraw/zinc/44/64/58/1006446458.db2.gz DTGKQNCMCILEKB-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439079878 1006446463 /nfs/dbraw/zinc/44/64/63/1006446463.db2.gz DTGKQNCMCILEKB-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001418387342 1006454728 /nfs/dbraw/zinc/45/47/28/1006454728.db2.gz WCFMBJOVQIYPQK-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001418387342 1006454737 /nfs/dbraw/zinc/45/47/37/1006454737.db2.gz WCFMBJOVQIYPQK-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O)CC(C)(C)C ZINC001437050479 1006553168 /nfs/dbraw/zinc/55/31/68/1006553168.db2.gz VGGSZGKEAADOSS-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001439282952 1006656479 /nfs/dbraw/zinc/65/64/79/1006656479.db2.gz AIJOKKMYUZRFGT-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001437258868 1006775818 /nfs/dbraw/zinc/77/58/18/1006775818.db2.gz CRIQBOUKGWGMGB-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001437260368 1006780449 /nfs/dbraw/zinc/78/04/49/1006780449.db2.gz IVTTXOGRTSNOJH-CYBMUJFWSA-N 1 3 308.426 0.320 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001437331043 1006849335 /nfs/dbraw/zinc/84/93/35/1006849335.db2.gz QXWPAQPGOLLHPC-AWEZNQCLSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)NCc1nccn1C)[NH+](C)C ZINC001437405479 1006928634 /nfs/dbraw/zinc/92/86/34/1006928634.db2.gz WTBMKRFZQSLTAR-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CC[C@@H](C)C1 ZINC001452702480 1006997551 /nfs/dbraw/zinc/99/75/51/1006997551.db2.gz WJWKKSNUUBRVHY-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCn3cccn3)CC2)CCC1 ZINC001439613209 1007072861 /nfs/dbraw/zinc/07/28/61/1007072861.db2.gz KHSAPRAEHRMVBK-UHFFFAOYSA-N 1 3 305.426 0.606 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001439772817 1007189041 /nfs/dbraw/zinc/18/90/41/1007189041.db2.gz KBBCZEQHCCPEMM-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001439772817 1007189046 /nfs/dbraw/zinc/18/90/46/1007189046.db2.gz KBBCZEQHCCPEMM-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NCCF)CCOCC1)[NH+](C)C ZINC001439967136 1007337450 /nfs/dbraw/zinc/33/74/50/1007337450.db2.gz FJMFTXCSSZBYLA-CYBMUJFWSA-N 1 3 303.422 0.797 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438000084 1007573561 /nfs/dbraw/zinc/57/35/61/1007573561.db2.gz LNYITUOUIMPFES-UONOGXRCSA-N 1 3 322.453 0.126 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)CCC1 ZINC001438130732 1007655933 /nfs/dbraw/zinc/65/59/33/1007655933.db2.gz UAGIOYPAVVZWNF-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001440409890 1007737954 /nfs/dbraw/zinc/73/79/54/1007737954.db2.gz ZUZYRPHEFPYWRF-UONOGXRCSA-N 1 3 322.457 0.530 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001440414445 1007740281 /nfs/dbraw/zinc/74/02/81/1007740281.db2.gz SWXVGHSXFIXQEY-NSHDSACASA-N 1 3 307.398 0.250 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001440414445 1007740297 /nfs/dbraw/zinc/74/02/97/1007740297.db2.gz SWXVGHSXFIXQEY-NSHDSACASA-N 1 3 307.398 0.250 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC ZINC001438374027 1007869963 /nfs/dbraw/zinc/86/99/63/1007869963.db2.gz QYGUQVBSHXSFDU-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC ZINC001438374027 1007869969 /nfs/dbraw/zinc/86/99/69/1007869969.db2.gz QYGUQVBSHXSFDU-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@](C)(C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001438426630 1007901242 /nfs/dbraw/zinc/90/12/42/1007901242.db2.gz NKDXXUDEEZXRAC-RHSMWYFYSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC2CC2)C1 ZINC001440598152 1007911112 /nfs/dbraw/zinc/91/11/12/1007911112.db2.gz KRVCGRQGPOXETI-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC2CC2)C1 ZINC001440598152 1007911118 /nfs/dbraw/zinc/91/11/18/1007911118.db2.gz KRVCGRQGPOXETI-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCn2cncn2)[C@H](C)C1 ZINC001440653179 1007941937 /nfs/dbraw/zinc/94/19/37/1007941937.db2.gz YLUXRXWAXXLDHD-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCn2cncn2)[C@H](C)C1 ZINC001440653179 1007941948 /nfs/dbraw/zinc/94/19/48/1007941948.db2.gz YLUXRXWAXXLDHD-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@@H](C(=O)NC1(CO)CCN(CCO)CC1)[NH+](CC)CC ZINC001440699118 1007962656 /nfs/dbraw/zinc/96/26/56/1007962656.db2.gz YOFPXFVDVGUEPO-AWEZNQCLSA-N 1 3 315.458 0.042 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001440716686 1007968909 /nfs/dbraw/zinc/96/89/09/1007968909.db2.gz UYTIHKFZUWPUTC-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1ccnn1C ZINC001440861845 1008077660 /nfs/dbraw/zinc/07/76/60/1008077660.db2.gz QLZOFTMBNSNPTA-KBPBESRZSA-N 1 3 309.458 0.786 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441001291 1008169259 /nfs/dbraw/zinc/16/92/59/1008169259.db2.gz MIYHFFRAZQOXOG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441001291 1008169260 /nfs/dbraw/zinc/16/92/60/1008169260.db2.gz MIYHFFRAZQOXOG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(CCCF)C1 ZINC001441207597 1008270227 /nfs/dbraw/zinc/27/02/27/1008270227.db2.gz HJIUTWZJNUMPLI-ZDUSSCGKSA-N 1 3 315.433 0.893 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001441391850 1008343770 /nfs/dbraw/zinc/34/37/70/1008343770.db2.gz CNDFDTMNOCKYMQ-CQSZACIVSA-N 1 3 312.458 0.515 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001441391850 1008343772 /nfs/dbraw/zinc/34/37/72/1008343772.db2.gz CNDFDTMNOCKYMQ-CQSZACIVSA-N 1 3 312.458 0.515 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001441410609 1008348652 /nfs/dbraw/zinc/34/86/52/1008348652.db2.gz DWUXJDJABCWWOZ-KBUPBQIOSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001441589668 1008415797 /nfs/dbraw/zinc/41/57/97/1008415797.db2.gz NSOMEMSDGXXRAF-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCc1cnn(C)c1 ZINC001441592190 1008416092 /nfs/dbraw/zinc/41/60/92/1008416092.db2.gz FSXTXOZAHCKVIZ-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCc1cnn(C)c1 ZINC001441592190 1008416095 /nfs/dbraw/zinc/41/60/95/1008416095.db2.gz FSXTXOZAHCKVIZ-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001441841751 1008559410 /nfs/dbraw/zinc/55/94/10/1008559410.db2.gz ZNLCQXNYLBXNLI-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001441841751 1008559423 /nfs/dbraw/zinc/55/94/23/1008559423.db2.gz ZNLCQXNYLBXNLI-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001421544066 1008707905 /nfs/dbraw/zinc/70/79/05/1008707905.db2.gz RFPDQUUUMUOSSB-STQMWFEESA-N 1 3 321.425 0.115 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001421555111 1008723987 /nfs/dbraw/zinc/72/39/87/1008723987.db2.gz XMBCKWRQEIVUAJ-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001453886384 1008783889 /nfs/dbraw/zinc/78/38/89/1008783889.db2.gz MJAWZLHJSNGNFX-WMLDXEAASA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001442007798 1008797170 /nfs/dbraw/zinc/79/71/70/1008797170.db2.gz JZGINHPXHMAZDR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001442007798 1008797173 /nfs/dbraw/zinc/79/71/73/1008797173.db2.gz JZGINHPXHMAZDR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1nccn1C ZINC001421720650 1008981343 /nfs/dbraw/zinc/98/13/43/1008981343.db2.gz BFGBSTYOBGDEIX-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)nn1C ZINC001421750529 1009032459 /nfs/dbraw/zinc/03/24/59/1009032459.db2.gz BKXPVWIKJIURNN-DZGCQCFKSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1C ZINC001421750529 1009032471 /nfs/dbraw/zinc/03/24/71/1009032471.db2.gz BKXPVWIKJIURNN-DZGCQCFKSA-N 1 3 321.469 0.912 20 0 DCADHO CCn1nncc1C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001442295619 1009164752 /nfs/dbraw/zinc/16/47/52/1009164752.db2.gz OIRMKRQVXVTFDE-ZIAGYGMSSA-N 1 3 322.457 0.624 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001421948826 1009300368 /nfs/dbraw/zinc/30/03/68/1009300368.db2.gz XQPFHALRJGRJDM-QWHCGFSZSA-N 1 3 314.474 0.665 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001421963315 1009328265 /nfs/dbraw/zinc/32/82/65/1009328265.db2.gz SLKJCLKTLSMQSP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001421966052 1009332362 /nfs/dbraw/zinc/33/23/62/1009332362.db2.gz YPBNVCHGXFLYQA-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccnn2C)[C@@H](C)C1 ZINC001422059104 1009445898 /nfs/dbraw/zinc/44/58/98/1009445898.db2.gz IESRWDKDZMTRBT-ZFWWWQNUSA-N 1 3 307.442 0.697 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001422135493 1009527787 /nfs/dbraw/zinc/52/77/87/1009527787.db2.gz NCTLTOCHHVPHHT-QWHCGFSZSA-N 1 3 300.447 0.192 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)CCn1cccn1 ZINC001422160530 1009584973 /nfs/dbraw/zinc/58/49/73/1009584973.db2.gz IOEXXQHQTSSWDZ-INIZCTEOSA-N 1 3 319.453 0.615 20 0 DCADHO CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001455366568 1009687610 /nfs/dbraw/zinc/68/76/10/1009687610.db2.gz ONJHXIRCVJNQSC-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1CCc2ncnn21)C(=O)CN1CCCC1 ZINC001422235182 1009689053 /nfs/dbraw/zinc/68/90/53/1009689053.db2.gz JWPKQINUPZSOPQ-CQSZACIVSA-N 1 3 320.441 0.251 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)CN1CCCC1 ZINC001422235182 1009689063 /nfs/dbraw/zinc/68/90/63/1009689063.db2.gz JWPKQINUPZSOPQ-CQSZACIVSA-N 1 3 320.441 0.251 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001442856845 1009838699 /nfs/dbraw/zinc/83/86/99/1009838699.db2.gz YRIFOSMBXXUGLL-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001442907070 1009922638 /nfs/dbraw/zinc/92/26/38/1009922638.db2.gz OMXCHVVPEFYHNG-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001442907070 1009922647 /nfs/dbraw/zinc/92/26/47/1009922647.db2.gz OMXCHVVPEFYHNG-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO COCCN(C)CCNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001434428461 1009940545 /nfs/dbraw/zinc/94/05/45/1009940545.db2.gz OOYAZAFMXURDFH-CQSZACIVSA-N 1 3 306.410 0.602 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCc1ccns1)[NH+](C)C ZINC001422394500 1010013549 /nfs/dbraw/zinc/01/35/49/1010013549.db2.gz BNGFULRSKVGFMW-WCQYABFASA-N 1 3 314.455 0.296 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001443105884 1010145344 /nfs/dbraw/zinc/14/53/44/1010145344.db2.gz VYSAYPLYUSVRGZ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](NCCO)c2ccccc2)CC1 ZINC001443132461 1010162672 /nfs/dbraw/zinc/16/26/72/1010162672.db2.gz CIFSIYFXIRRVGD-OAHLLOKOSA-N 1 3 305.422 0.768 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001422488891 1010167829 /nfs/dbraw/zinc/16/78/29/1010167829.db2.gz QBBISDBCXWRCIF-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001422488891 1010167834 /nfs/dbraw/zinc/16/78/34/1010167834.db2.gz QBBISDBCXWRCIF-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422490047 1010170981 /nfs/dbraw/zinc/17/09/81/1010170981.db2.gz XHHKURMKFBSZCZ-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422490047 1010170986 /nfs/dbraw/zinc/17/09/86/1010170986.db2.gz XHHKURMKFBSZCZ-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001422505362 1010199537 /nfs/dbraw/zinc/19/95/37/1010199537.db2.gz NIGNVVCTHZZALB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001422505362 1010199546 /nfs/dbraw/zinc/19/95/46/1010199546.db2.gz NIGNVVCTHZZALB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001443297553 1010302558 /nfs/dbraw/zinc/30/25/58/1010302558.db2.gz OSOPIJPRVBDHIV-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001443347255 1010356750 /nfs/dbraw/zinc/35/67/50/1010356750.db2.gz QZXQQGRSCHLSSE-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001443347255 1010356761 /nfs/dbraw/zinc/35/67/61/1010356761.db2.gz QZXQQGRSCHLSSE-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001422721602 1010527158 /nfs/dbraw/zinc/52/71/58/1010527158.db2.gz XFSQUCBEMRKUQZ-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccnn1C ZINC001443937683 1010762187 /nfs/dbraw/zinc/76/21/87/1010762187.db2.gz SPXYUXZIWFELDY-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(CC)C1=O ZINC001443936957 1010762831 /nfs/dbraw/zinc/76/28/31/1010762831.db2.gz QLXKUYIXDADHSF-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001423115684 1010899344 /nfs/dbraw/zinc/89/93/44/1010899344.db2.gz DKXMZUNBLDTOBG-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001423115684 1010899350 /nfs/dbraw/zinc/89/93/50/1010899350.db2.gz DKXMZUNBLDTOBG-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001423318514 1011072386 /nfs/dbraw/zinc/07/23/86/1011072386.db2.gz CFLNSSODCQUNNT-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001423331275 1011081294 /nfs/dbraw/zinc/08/12/94/1011081294.db2.gz STNALVWEIFXYAY-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001444788164 1011172744 /nfs/dbraw/zinc/17/27/44/1011172744.db2.gz MHZKBGCNSWZYAY-HIFRSBDPSA-N 1 3 322.457 0.482 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423487730 1011182743 /nfs/dbraw/zinc/18/27/43/1011182743.db2.gz URZYBDWBGVVCKI-HUUCEWRRSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423487730 1011182747 /nfs/dbraw/zinc/18/27/47/1011182747.db2.gz URZYBDWBGVVCKI-HUUCEWRRSA-N 1 3 320.437 0.251 20 0 DCADHO COC[C@H](O)CN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001423579978 1011307391 /nfs/dbraw/zinc/30/73/91/1011307391.db2.gz PNTLIMQTDAPOAX-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@H](O)CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001423579978 1011307403 /nfs/dbraw/zinc/30/74/03/1011307403.db2.gz PNTLIMQTDAPOAX-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001445053423 1011359174 /nfs/dbraw/zinc/35/91/74/1011359174.db2.gz JFFFXONNCNVRNZ-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423645119 1011384598 /nfs/dbraw/zinc/38/45/98/1011384598.db2.gz VYHFMVWRBCANLG-GUYCJALGSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001423762979 1011508307 /nfs/dbraw/zinc/50/83/07/1011508307.db2.gz UYHQOETZFRJRER-CJNGLKHVSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001423762979 1011508315 /nfs/dbraw/zinc/50/83/15/1011508315.db2.gz UYHQOETZFRJRER-CJNGLKHVSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445305189 1011630996 /nfs/dbraw/zinc/63/09/96/1011630996.db2.gz RFOYVDVNWGFUQH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445305189 1011631002 /nfs/dbraw/zinc/63/10/02/1011631002.db2.gz RFOYVDVNWGFUQH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445361328 1011693412 /nfs/dbraw/zinc/69/34/12/1011693412.db2.gz ASMJKTBPEYXBJE-DOMZBBRYSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445429403 1011762535 /nfs/dbraw/zinc/76/25/35/1011762535.db2.gz PMFPOFPPOPQBMA-RDBSUJKOSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001445429403 1011762545 /nfs/dbraw/zinc/76/25/45/1011762545.db2.gz PMFPOFPPOPQBMA-RDBSUJKOSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)COC1CC[NH+](C)CC1 ZINC001445476518 1011802506 /nfs/dbraw/zinc/80/25/06/1011802506.db2.gz MAFQKZXSOUACNY-CYBMUJFWSA-N 1 3 323.441 0.125 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001445479567 1011807966 /nfs/dbraw/zinc/80/79/66/1011807966.db2.gz KRZRRBHNSZUJMT-PSASIEDQSA-N 1 3 322.331 0.668 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2CCn1cncn1 ZINC001424032169 1011883538 /nfs/dbraw/zinc/88/35/38/1011883538.db2.gz BVHKTXHFZGOTDO-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001445556388 1011922336 /nfs/dbraw/zinc/92/23/36/1011922336.db2.gz CEPBBJNEZBBJGW-NWDGAFQWSA-N 1 3 310.442 0.232 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553416487 1011956073 /nfs/dbraw/zinc/95/60/73/1011956073.db2.gz XLHGPNGIAJCHKZ-CQSZACIVSA-N 1 3 310.442 0.635 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CC[C@@](C[NH3+])(C3CCOCC3)C2)C1 ZINC001553431828 1011971775 /nfs/dbraw/zinc/97/17/75/1011971775.db2.gz BNKOBQUOJMJDQO-WBVHZDCISA-N 1 3 324.469 0.868 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCCC1)NC(=O)CC[NH+](C)C ZINC001445619115 1012013822 /nfs/dbraw/zinc/01/38/22/1012013822.db2.gz ZJLDBHKJGSVMQX-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001424169655 1012120875 /nfs/dbraw/zinc/12/08/75/1012120875.db2.gz LVXBKWKVNAOCCH-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001424169655 1012120886 /nfs/dbraw/zinc/12/08/86/1012120886.db2.gz LVXBKWKVNAOCCH-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001424188320 1012142760 /nfs/dbraw/zinc/14/27/60/1012142760.db2.gz YGYLAWJGCDFXSI-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001536903299 1012269031 /nfs/dbraw/zinc/26/90/31/1012269031.db2.gz LQHJHHSNKZURRV-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001458802484 1012385275 /nfs/dbraw/zinc/38/52/75/1012385275.db2.gz JDYMDVKUFKZPRC-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001432473049 1012534245 /nfs/dbraw/zinc/53/42/45/1012534245.db2.gz WAZIBZSCISZQGW-UHFFFAOYSA-N 1 3 324.469 0.243 20 0 DCADHO Cn1cc(CNC2(C)CCN(C(=O)CC[NH+](C)C)CC2)nn1 ZINC001424486379 1012565641 /nfs/dbraw/zinc/56/56/41/1012565641.db2.gz CTBSGTWVXBDVIX-UHFFFAOYSA-N 1 3 308.430 0.238 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN(C)C(C)C ZINC001432756474 1012842625 /nfs/dbraw/zinc/84/26/25/1012842625.db2.gz NCFREMGODDBMNF-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](F)CNC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001446710360 1012913666 /nfs/dbraw/zinc/91/36/66/1012913666.db2.gz LCMRIKKUYOFNRG-CYBMUJFWSA-N 1 3 303.422 0.941 20 0 DCADHO C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC001476679719 1017211794 /nfs/dbraw/zinc/21/17/94/1017211794.db2.gz UJZICFDUCJAAFR-AWEZNQCLSA-N 1 3 318.425 0.923 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001509721269 1017402015 /nfs/dbraw/zinc/40/20/15/1017402015.db2.gz YNSCLAHVHMBDIL-QKDCVEJESA-N 1 3 324.469 0.101 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 ZINC001506820381 1017584318 /nfs/dbraw/zinc/58/43/18/1017584318.db2.gz JPSHFFZBDXZYPR-PHZGNYQRSA-N 1 3 319.453 0.556 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3cnn(C)c3)C[C@H]21 ZINC001506820381 1017584324 /nfs/dbraw/zinc/58/43/24/1017584324.db2.gz JPSHFFZBDXZYPR-PHZGNYQRSA-N 1 3 319.453 0.556 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN(C)C1CCC1 ZINC001497205655 1017967895 /nfs/dbraw/zinc/96/78/95/1017967895.db2.gz LQCIUEMHJHVJQE-GFCCVEGCSA-N 1 3 308.430 0.284 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H](C)C(N)=O ZINC001494981816 1018204805 /nfs/dbraw/zinc/20/48/05/1018204805.db2.gz UCLKCMJKBLPBJX-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001480120052 1018221849 /nfs/dbraw/zinc/22/18/49/1018221849.db2.gz BKLDSZXOKQZUFS-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495045327 1018263748 /nfs/dbraw/zinc/26/37/48/1018263748.db2.gz CGGVQAAEMHPFEA-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495045327 1018263757 /nfs/dbraw/zinc/26/37/57/1018263757.db2.gz CGGVQAAEMHPFEA-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)N2CCCC2)C1 ZINC001497674679 1018325848 /nfs/dbraw/zinc/32/58/48/1018325848.db2.gz LAEYGOIFWHABLU-MPNWYJEXSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)N2CCCC2)C1 ZINC001497674679 1018325861 /nfs/dbraw/zinc/32/58/61/1018325861.db2.gz LAEYGOIFWHABLU-MPNWYJEXSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001500382293 1018434135 /nfs/dbraw/zinc/43/41/35/1018434135.db2.gz OSIYRTHPHAGKOD-BBRMVZONSA-N 1 3 308.426 0.941 20 0 DCADHO Cn1ccc(CNC[C@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001500401042 1018440973 /nfs/dbraw/zinc/44/09/73/1018440973.db2.gz BTQHBFZOOICUGP-YOEHRIQHSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001500401042 1018440982 /nfs/dbraw/zinc/44/09/82/1018440982.db2.gz BTQHBFZOOICUGP-YOEHRIQHSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001480394651 1018496228 /nfs/dbraw/zinc/49/62/28/1018496228.db2.gz WJZQYMRPFPNCLB-XPABHHOTSA-N 1 3 322.453 0.042 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001497927262 1018519882 /nfs/dbraw/zinc/51/98/82/1018519882.db2.gz SUHKSQMJVWGSEM-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001497927262 1018519895 /nfs/dbraw/zinc/51/98/95/1018519895.db2.gz SUHKSQMJVWGSEM-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001497996855 1018568593 /nfs/dbraw/zinc/56/85/93/1018568593.db2.gz BRKYZMNTIZTLJE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccnn1C ZINC001480535847 1018634945 /nfs/dbraw/zinc/63/49/45/1018634945.db2.gz ABRBIJDQDAYHHX-KGLIPLIRSA-N 1 3 307.442 0.399 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCN(C)C1=O ZINC001495681926 1018646279 /nfs/dbraw/zinc/64/62/79/1018646279.db2.gz BZDPTBPYGRVQKG-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H]([NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001495718579 1018667210 /nfs/dbraw/zinc/66/72/10/1018667210.db2.gz IFWBVCYWKISNKV-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001480576462 1018675931 /nfs/dbraw/zinc/67/59/31/1018675931.db2.gz GGQZCWCKRHLIIW-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001498196082 1018745750 /nfs/dbraw/zinc/74/57/50/1018745750.db2.gz RWQUSKLYXDREGD-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NCc2n[nH]c(C)n2)CCCC1 ZINC001495952987 1018902125 /nfs/dbraw/zinc/90/21/25/1018902125.db2.gz NAJBFBLNTPTCKC-UHFFFAOYSA-N 1 3 322.457 0.974 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2n[nH]c(C)n2)CCCC1 ZINC001495952987 1018902138 /nfs/dbraw/zinc/90/21/38/1018902138.db2.gz NAJBFBLNTPTCKC-UHFFFAOYSA-N 1 3 322.457 0.974 20 0 DCADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001496369963 1019271083 /nfs/dbraw/zinc/27/10/83/1019271083.db2.gz PNLQDWAPZGQWBQ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCn1cncn1 ZINC001493292252 1019301148 /nfs/dbraw/zinc/30/11/48/1019301148.db2.gz ZZCDBXNZQHBMOA-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCn1cncn1 ZINC001493292252 1019301160 /nfs/dbraw/zinc/30/11/60/1019301160.db2.gz ZZCDBXNZQHBMOA-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO Cn1ccnc1CNCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001501611439 1019326690 /nfs/dbraw/zinc/32/66/90/1019326690.db2.gz KBGUQSPPJBGWFK-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)CC1 ZINC001501631804 1019341026 /nfs/dbraw/zinc/34/10/26/1019341026.db2.gz FTCGGMBZQARYAP-AWEZNQCLSA-N 1 3 310.442 0.032 20 0 DCADHO CCn1nncc1CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001496644115 1019480762 /nfs/dbraw/zinc/48/07/62/1019480762.db2.gz QIXYFMKJKOZKOX-DZGCQCFKSA-N 1 3 322.457 0.480 20 0 DCADHO CCn1nncc1CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001496644115 1019480770 /nfs/dbraw/zinc/48/07/70/1019480770.db2.gz QIXYFMKJKOZKOX-DZGCQCFKSA-N 1 3 322.457 0.480 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001501997219 1019616223 /nfs/dbraw/zinc/61/62/23/1019616223.db2.gz BOVSGXHZBGWAIW-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCCOC)C1)N(C)C ZINC001502077521 1019690612 /nfs/dbraw/zinc/69/06/12/1019690612.db2.gz XHVFYCHXCWOBBZ-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO O=C(NC[C@H](NCCO)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC001493889054 1019789261 /nfs/dbraw/zinc/78/92/61/1019789261.db2.gz NEPUFEOTAZCWOX-IRXDYDNUSA-N 1 3 317.433 0.768 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410556572 529886299 /nfs/dbraw/zinc/88/62/99/529886299.db2.gz KGPLUPFUBSGVRZ-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CCC[C@](CNC(=O)C(=O)N2CCCNCC2)([NH+](C)C)C1 ZINC000331907632 234262108 /nfs/dbraw/zinc/26/21/08/234262108.db2.gz AIQJRWXXXDAIDW-YOEHRIQHSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000236881383 202049749 /nfs/dbraw/zinc/04/97/49/202049749.db2.gz RYWSTBADBRMMKL-JKSUJKDBSA-N 1 3 310.486 0.766 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000236946898 202087081 /nfs/dbraw/zinc/08/70/81/202087081.db2.gz HIMDWKWKDXZAKB-HOTGVXAUSA-N 1 3 322.497 0.766 20 0 DCADHO O[C@@H](Cn1cccn1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173951387 237167375 /nfs/dbraw/zinc/16/73/75/237167375.db2.gz GOCUIOYDRFOWDB-MRXNPFEDSA-N 1 3 322.453 0.821 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000566367975 291297032 /nfs/dbraw/zinc/29/70/32/291297032.db2.gz QKPXCOXYLLYJCL-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000566512975 291310677 /nfs/dbraw/zinc/31/06/77/291310677.db2.gz RNYVATPQYPABKT-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000566906855 291328335 /nfs/dbraw/zinc/32/83/35/291328335.db2.gz NEGSIJDYQIEQND-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000566906855 291328337 /nfs/dbraw/zinc/32/83/37/291328337.db2.gz NEGSIJDYQIEQND-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420028729 240012415 /nfs/dbraw/zinc/01/24/15/240012415.db2.gz DKFACKIXHHBRBU-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000566962771 291330717 /nfs/dbraw/zinc/33/07/17/291330717.db2.gz CSOBXMLVNXYMHS-AWEZNQCLSA-N 1 3 300.447 0.521 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422690767 240177860 /nfs/dbraw/zinc/17/78/60/240177860.db2.gz GVZAEGNQFOUDFK-HOTGVXAUSA-N 1 3 318.469 0.706 20 0 DCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000422690767 240177866 /nfs/dbraw/zinc/17/78/66/240177866.db2.gz GVZAEGNQFOUDFK-HOTGVXAUSA-N 1 3 318.469 0.706 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000567821557 291380353 /nfs/dbraw/zinc/38/03/53/291380353.db2.gz CKMFMBPPMUPSIC-ZIAGYGMSSA-N 1 3 313.490 0.828 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000568293571 291421674 /nfs/dbraw/zinc/42/16/74/291421674.db2.gz AZSWQXHGMBEJGW-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CC[NH2+]CCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000568856136 291449353 /nfs/dbraw/zinc/44/93/53/291449353.db2.gz NYAABHSHVVFGJC-CQSZACIVSA-N 1 3 300.447 0.378 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000571422984 291514009 /nfs/dbraw/zinc/51/40/09/291514009.db2.gz BGIBDGNAFOROHH-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)Cc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000574197377 291679962 /nfs/dbraw/zinc/67/99/62/291679962.db2.gz TZHWUMZNEYHSNM-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO O=C1C[C@@H](c2ccccc2)N(CCN2CC[NH2+]CC2)CCN1 ZINC000420326338 296344744 /nfs/dbraw/zinc/34/47/44/296344744.db2.gz XGQKGIKQWUXIMJ-INIZCTEOSA-N 1 3 302.422 0.455 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339637069 253119601 /nfs/dbraw/zinc/11/96/01/253119601.db2.gz UIUBDYVOKZHXNT-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000339666878 253123044 /nfs/dbraw/zinc/12/30/44/253123044.db2.gz AKIRIXBSYFDDTO-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000340206321 253216854 /nfs/dbraw/zinc/21/68/54/253216854.db2.gz MRJXODHPBUAWAO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C[NH+]1CCCC1 ZINC000340767062 253300517 /nfs/dbraw/zinc/30/05/17/253300517.db2.gz JASFTKZIERTWHK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340800617 253306297 /nfs/dbraw/zinc/30/62/97/253306297.db2.gz OVXPWJDPRMZIPE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340800617 253306300 /nfs/dbraw/zinc/30/63/00/253306300.db2.gz OVXPWJDPRMZIPE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000346715304 254088577 /nfs/dbraw/zinc/08/85/77/254088577.db2.gz TZDDGXSQAQFTRQ-NVXWUHKLSA-N 1 3 309.454 0.920 20 0 DCADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000346715304 254088579 /nfs/dbraw/zinc/08/85/79/254088579.db2.gz TZDDGXSQAQFTRQ-NVXWUHKLSA-N 1 3 309.454 0.920 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)CC[N@@H+]1C ZINC000348018940 254213705 /nfs/dbraw/zinc/21/37/05/254213705.db2.gz PSJNUJKGYVJKFN-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)CC[N@H+]1C ZINC000348018940 254213706 /nfs/dbraw/zinc/21/37/06/254213706.db2.gz PSJNUJKGYVJKFN-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000351533859 254344017 /nfs/dbraw/zinc/34/40/17/254344017.db2.gz JEQTWNLUPAGKGE-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)COC(F)F)CC2)CC1 ZINC000351972989 254385971 /nfs/dbraw/zinc/38/59/71/254385971.db2.gz ZGAVNMLNKIFCLI-UHFFFAOYSA-N 1 3 305.369 0.900 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333414795 285203562 /nfs/dbraw/zinc/20/35/62/285203562.db2.gz RSEXMDOBRWQJKD-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417099193 262246343 /nfs/dbraw/zinc/24/63/43/262246343.db2.gz ZIQTZDXUMAFVMW-CQSZACIVSA-N 1 3 300.447 0.725 20 0 DCADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000341715779 289069108 /nfs/dbraw/zinc/06/91/08/289069108.db2.gz WLNJZQQLFUWUAO-CYBMUJFWSA-N 1 3 303.472 0.179 20 0 DCADHO C[C@@H](NC(=O)NCC1(O)CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000085423730 395700210 /nfs/dbraw/zinc/70/02/10/395700210.db2.gz CCQSOTPVJFZPQN-CYBMUJFWSA-N 1 3 314.474 0.719 20 0 DCADHO COCCN1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000112746314 395824113 /nfs/dbraw/zinc/82/41/13/395824113.db2.gz AFSAYXJYIBDLHK-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO CC(C)OC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519448 395831993 /nfs/dbraw/zinc/83/19/93/395831993.db2.gz GDADVRVHKQDNCG-OAHLLOKOSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)N(C)C ZINC000125066754 395902254 /nfs/dbraw/zinc/90/22/54/395902254.db2.gz MNJKSMDWMLVCGI-UONOGXRCSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)N(C)C ZINC000125066754 395902256 /nfs/dbraw/zinc/90/22/56/395902256.db2.gz MNJKSMDWMLVCGI-UONOGXRCSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H](CC(=O)NCCCN1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000237425459 395912725 /nfs/dbraw/zinc/91/27/25/395912725.db2.gz WMSQSMCULIJWFS-HOTGVXAUSA-N 1 3 310.486 0.766 20 0 DCADHO C[NH+](C)CCC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000056522261 395931111 /nfs/dbraw/zinc/93/11/11/395931111.db2.gz WUNUNGUOONRVBR-UHFFFAOYSA-N 1 3 310.442 0.981 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000261650510 396052613 /nfs/dbraw/zinc/05/26/13/396052613.db2.gz DGHFETLYJFMHRK-XJFOESAGSA-N 1 3 301.456 0.327 20 0 DCADHO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000261719297 396059187 /nfs/dbraw/zinc/05/91/87/396059187.db2.gz FAQPPNSWBJJEDG-HNNXBMFYSA-N 1 3 309.454 0.947 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC[N@H+](C)C2CCCC2)CC1=O ZINC000155902240 396059269 /nfs/dbraw/zinc/05/92/69/396059269.db2.gz DJLWRVAWBUQRIE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC[N@@H+](C)C2CCCC2)CC1=O ZINC000155902240 396059273 /nfs/dbraw/zinc/05/92/73/396059273.db2.gz DJLWRVAWBUQRIE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO O=S1(=O)CCCN1[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000261799689 396067532 /nfs/dbraw/zinc/06/75/32/396067532.db2.gz GTQRDCSKTOHNFA-CQSZACIVSA-N 1 3 301.456 0.486 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000171196083 396109871 /nfs/dbraw/zinc/10/98/71/396109871.db2.gz NVUKUZGNUQLTSD-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000171196083 396109872 /nfs/dbraw/zinc/10/98/72/396109872.db2.gz NVUKUZGNUQLTSD-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO COCCCN(C)CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278992212 396146166 /nfs/dbraw/zinc/14/61/66/396146166.db2.gz LDANUIQJCLJYTI-GFCCVEGCSA-N 1 3 309.414 0.185 20 0 DCADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(CC2CC2)CC1 ZINC000279032365 396148541 /nfs/dbraw/zinc/14/85/41/396148541.db2.gz PRTXUKVEYTVMHN-CYBMUJFWSA-N 1 3 303.410 0.654 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000580772450 396498151 /nfs/dbraw/zinc/49/81/51/396498151.db2.gz ATINSKNGTRIXSL-BZPMIXESSA-N 1 3 318.425 0.243 20 0 DCADHO O=C(C[C@@H]1CSCCN1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000515143683 396500006 /nfs/dbraw/zinc/50/00/06/396500006.db2.gz PDDJJSWPRZRDTA-QLFBSQMISA-N 1 3 305.447 0.953 20 0 DCADHO C[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)N1CC(C)C1 ZINC000581262716 396539554 /nfs/dbraw/zinc/53/95/54/396539554.db2.gz QYNSURFCIWTLIS-OAHLLOKOSA-N 1 3 310.486 0.811 20 0 DCADHO C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)N1CC(C)C1 ZINC000581262716 396539556 /nfs/dbraw/zinc/53/95/56/396539556.db2.gz QYNSURFCIWTLIS-OAHLLOKOSA-N 1 3 310.486 0.811 20 0 DCADHO C[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)N1CC(C)C1 ZINC000581262716 396539559 /nfs/dbraw/zinc/53/95/59/396539559.db2.gz QYNSURFCIWTLIS-OAHLLOKOSA-N 1 3 310.486 0.811 20 0 DCADHO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000373160329 396570751 /nfs/dbraw/zinc/57/07/51/396570751.db2.gz RDTBEARFOOVYFN-INIZCTEOSA-N 1 3 306.454 0.367 20 0 DCADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000581662529 396572936 /nfs/dbraw/zinc/57/29/36/396572936.db2.gz NIQIWSOEZAZQOJ-CHWSQXEVSA-N 1 3 319.405 0.573 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000581934111 396594612 /nfs/dbraw/zinc/59/46/12/396594612.db2.gz NXSQBIGIXIGKPD-KGLIPLIRSA-N 1 3 310.442 0.032 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000561224248 396635509 /nfs/dbraw/zinc/63/55/09/396635509.db2.gz PEYHOJUUPQEUCK-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000374591328 396675279 /nfs/dbraw/zinc/67/52/79/396675279.db2.gz DJZOJCSVUVPKDG-JYJNAYRXSA-N 1 3 308.470 0.600 20 0 DCADHO C[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000562913262 396685395 /nfs/dbraw/zinc/68/53/95/396685395.db2.gz HWTXPXQYEFYBDT-FMKPAKJESA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@H+]1CCCC[C@H]1C ZINC000562913262 396685397 /nfs/dbraw/zinc/68/53/97/396685397.db2.gz HWTXPXQYEFYBDT-FMKPAKJESA-N 1 3 312.458 0.615 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNC2 ZINC000563115921 396704606 /nfs/dbraw/zinc/70/46/06/396704606.db2.gz TYMSKKRDBLJNBI-AWEZNQCLSA-N 1 3 302.378 0.487 20 0 DCADHO Cc1ccc(NC(=O)CC[NH2+]C[C@H](O)CN2CCCC2)nc1 ZINC000563140113 396707010 /nfs/dbraw/zinc/70/70/10/396707010.db2.gz DCRUEBRTYHRDPO-AWEZNQCLSA-N 1 3 306.410 0.765 20 0 DCADHO COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@@H]1C ZINC000596107076 396717580 /nfs/dbraw/zinc/71/75/80/396717580.db2.gz UYCVWNOYAQEAEO-BFHYXJOUSA-N 1 3 311.426 0.315 20 0 DCADHO COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@@H]1C ZINC000596107076 396717581 /nfs/dbraw/zinc/71/75/81/396717581.db2.gz UYCVWNOYAQEAEO-BFHYXJOUSA-N 1 3 311.426 0.315 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629531995 396778284 /nfs/dbraw/zinc/77/82/84/396778284.db2.gz HNFRQJDOFFXLGH-ZIAGYGMSSA-N 1 3 303.472 0.589 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCC ZINC000634251182 396818509 /nfs/dbraw/zinc/81/85/09/396818509.db2.gz CSNNHJAXKNPMHG-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC000634251182 396818516 /nfs/dbraw/zinc/81/85/16/396818516.db2.gz CSNNHJAXKNPMHG-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nn(C)cc1Cl ZINC000625286622 396831186 /nfs/dbraw/zinc/83/11/86/396831186.db2.gz JFHZCWHJOMVDJG-UHFFFAOYSA-N 1 3 301.822 0.639 20 0 DCADHO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[C@H](N2CCCC2)C1 ZINC000564447208 396835145 /nfs/dbraw/zinc/83/51/45/396835145.db2.gz WWXSWTKRWJOAOL-STQMWFEESA-N 1 3 303.410 0.797 20 0 DCADHO COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629584700 396800520 /nfs/dbraw/zinc/80/05/20/396800520.db2.gz WHHPLCFAAKIAEQ-CVEARBPZSA-N 1 3 308.422 0.817 20 0 DCADHO [NH3+]C[C@H]1CCC[C@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000564825832 396875722 /nfs/dbraw/zinc/87/57/22/396875722.db2.gz LHEDCXVUKYXVSI-HZPDHXFCSA-N 1 3 308.470 0.648 20 0 DCADHO NC[C@H]1CCC[C@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000564825832 396875728 /nfs/dbraw/zinc/87/57/28/396875728.db2.gz LHEDCXVUKYXVSI-HZPDHXFCSA-N 1 3 308.470 0.648 20 0 DCADHO C[C@@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)C(=O)NCCN1CCCCC1 ZINC000569925708 396925713 /nfs/dbraw/zinc/92/57/13/396925713.db2.gz RMOOKCZRWIDZHK-CPUCHLNUSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000376435648 396929449 /nfs/dbraw/zinc/92/94/49/396929449.db2.gz OXYPDVZUUNWDRH-GOOCMWNKSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000376435648 396929454 /nfs/dbraw/zinc/92/94/54/396929454.db2.gz OXYPDVZUUNWDRH-GOOCMWNKSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000342954302 396992046 /nfs/dbraw/zinc/99/20/46/396992046.db2.gz XPICBWPCVQNHLC-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343173706 396993839 /nfs/dbraw/zinc/99/38/39/396993839.db2.gz PUZXEAUERSSFIQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343173706 396993845 /nfs/dbraw/zinc/99/38/45/396993845.db2.gz PUZXEAUERSSFIQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[NH2+]CC1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000347194527 397029485 /nfs/dbraw/zinc/02/94/85/397029485.db2.gz GZAQSDJJNQPZKS-UHFFFAOYSA-N 1 3 318.469 0.660 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000571639661 396971597 /nfs/dbraw/zinc/97/15/97/396971597.db2.gz CLSHCZHBNQYCDE-SKDRFNHKSA-N 1 3 300.366 0.867 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000630761507 397099735 /nfs/dbraw/zinc/09/97/35/397099735.db2.gz GFSSAVWLRSNFHR-CABCVRRESA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000630761507 397099738 /nfs/dbraw/zinc/09/97/38/397099738.db2.gz GFSSAVWLRSNFHR-CABCVRRESA-N 1 3 305.426 0.801 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000592138924 397101294 /nfs/dbraw/zinc/10/12/94/397101294.db2.gz REDJZUIXPNQAMA-ZDUSSCGKSA-N 1 3 311.426 0.377 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCO1 ZINC000612982645 397170360 /nfs/dbraw/zinc/17/03/60/397170360.db2.gz ABWTUMGAAJYROQ-LSDHHAIUSA-N 1 3 324.469 0.929 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377636388 397117022 /nfs/dbraw/zinc/11/70/22/397117022.db2.gz HCKLEZLCIHYZLH-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377636388 397117027 /nfs/dbraw/zinc/11/70/27/397117027.db2.gz HCKLEZLCIHYZLH-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000573687174 397195927 /nfs/dbraw/zinc/19/59/27/397195927.db2.gz ISOYHTQEEPPYDS-HNNXBMFYSA-N 1 3 322.453 0.237 20 0 DCADHO COC(=O)COCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964616 397275537 /nfs/dbraw/zinc/27/55/37/397275537.db2.gz JHCBWQGLQWLQGJ-KRWDZBQOSA-N 1 3 322.405 0.403 20 0 DCADHO COC(=O)COCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964616 397275539 /nfs/dbraw/zinc/27/55/39/397275539.db2.gz JHCBWQGLQWLQGJ-KRWDZBQOSA-N 1 3 322.405 0.403 20 0 DCADHO O=c1n2ccccc2nn1CCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389865084 397298827 /nfs/dbraw/zinc/29/88/27/397298827.db2.gz YKWBUQFQPQVYPI-OKILXGFUSA-N 1 3 301.394 0.427 20 0 DCADHO CCN1CCC(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592954641 397299860 /nfs/dbraw/zinc/29/98/60/397299860.db2.gz CSARXFAWKXPHLC-LBPRGKRZSA-N 1 3 305.426 0.933 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])C2)CC1 ZINC000592965436 397307686 /nfs/dbraw/zinc/30/76/86/397307686.db2.gz ZPYGCEQEGKYKHW-GVDBMIGSSA-N 1 3 322.497 0.988 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC000602123042 397310097 /nfs/dbraw/zinc/31/00/97/397310097.db2.gz SXMJVZHGQOUGME-INIZCTEOSA-N 1 3 322.497 0.955 20 0 DCADHO CCN(CCN)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000626854401 397263881 /nfs/dbraw/zinc/26/38/81/397263881.db2.gz KMFPIQBWXXZVKW-UHFFFAOYSA-N 1 3 306.410 0.536 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419528040 397380714 /nfs/dbraw/zinc/38/07/14/397380714.db2.gz VVHMXGFDLZJZIW-BYNSBNAKSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CCN(C2CCC2)C1 ZINC000577269756 397318239 /nfs/dbraw/zinc/31/82/39/397318239.db2.gz OZBNDTUBWALRIX-GOEBONIOSA-N 1 3 323.485 0.406 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423662947 397397662 /nfs/dbraw/zinc/39/76/62/397397662.db2.gz CKZCUXGXKWKMLD-IHRRRGAJSA-N 1 3 310.442 0.267 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621652873 397409749 /nfs/dbraw/zinc/40/97/49/397409749.db2.gz IYEDCVYEQOODRA-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000578314325 397418211 /nfs/dbraw/zinc/41/82/11/397418211.db2.gz MPLBHSRUGPDXGE-ZNMIVQPWSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@@H]23)C[C@H](C)O1 ZINC000578618521 397459888 /nfs/dbraw/zinc/45/98/88/397459888.db2.gz CYTBDSQWQNYUSS-JJTUDDRGSA-N 1 3 311.470 0.673 20 0 DCADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000370474945 397491536 /nfs/dbraw/zinc/49/15/36/397491536.db2.gz DMSZONCWTYANFZ-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(=O)NCCN1CCCCC1 ZINC000578865076 397494547 /nfs/dbraw/zinc/49/45/47/397494547.db2.gz DBOLJEXIBPKGNL-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCN1C ZINC000579833670 397594609 /nfs/dbraw/zinc/59/46/09/397594609.db2.gz DLQXJWZVHUNKLV-AGIUHOORSA-N 1 3 306.414 0.243 20 0 DCADHO Cc1ccc([C@@H](N)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000262674990 292203262 /nfs/dbraw/zinc/20/32/62/292203262.db2.gz TZFJTKMQVCIXIR-NVXWUHKLSA-N 1 3 318.465 0.995 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CCN(CC(C)C)CC2)CC1 ZINC000049970663 158011578 /nfs/dbraw/zinc/01/15/78/158011578.db2.gz IFTFIHRWKQHSMN-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCCCNC(=O)NCC[N@H+](C)CC)CC1 ZINC000120755261 158204245 /nfs/dbraw/zinc/20/42/45/158204245.db2.gz HFNVTTBKNVBSAM-UHFFFAOYSA-N 1 3 313.490 0.655 20 0 DCADHO CCN1CCN(CCCCNC(=O)NCC[N@@H+](C)CC)CC1 ZINC000120755261 158204246 /nfs/dbraw/zinc/20/42/46/158204246.db2.gz HFNVTTBKNVBSAM-UHFFFAOYSA-N 1 3 313.490 0.655 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000164992982 158364098 /nfs/dbraw/zinc/36/40/98/158364098.db2.gz RCUJVEDEXKKSSD-CYBMUJFWSA-N 1 3 320.441 0.664 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000316702249 159002871 /nfs/dbraw/zinc/00/28/71/159002871.db2.gz IWNCTTMCIUZULK-ARFHVFGLSA-N 1 3 303.406 0.536 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000316702249 159002872 /nfs/dbraw/zinc/00/28/72/159002872.db2.gz IWNCTTMCIUZULK-ARFHVFGLSA-N 1 3 303.406 0.536 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000316440373 159003089 /nfs/dbraw/zinc/00/30/89/159003089.db2.gz UWFGMGPAARLEQQ-GWONACJQSA-N 1 3 307.438 0.887 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341025415 159221642 /nfs/dbraw/zinc/22/16/42/159221642.db2.gz WSNDMGHGJIDSRE-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341025415 159221645 /nfs/dbraw/zinc/22/16/45/159221645.db2.gz WSNDMGHGJIDSRE-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000354957804 287171636 /nfs/dbraw/zinc/17/16/36/287171636.db2.gz GZZLRZCVPFCDQO-KBPBESRZSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000354957804 287171639 /nfs/dbraw/zinc/17/16/39/287171639.db2.gz GZZLRZCVPFCDQO-KBPBESRZSA-N 1 3 310.442 0.369 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419023031 287262390 /nfs/dbraw/zinc/26/23/90/287262390.db2.gz IXKSTIVQNQQUNE-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCC[NH3+] ZINC000419145211 287266751 /nfs/dbraw/zinc/26/67/51/287266751.db2.gz ABFPADUGNUXEEM-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO C[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420300723 287287222 /nfs/dbraw/zinc/28/72/22/287287222.db2.gz VDLWBYPKRKXDPM-GDBMZVCRSA-N 1 3 304.438 0.699 20 0 DCADHO CC(C)N(C(=O)[C@@H](C)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000420348141 287293722 /nfs/dbraw/zinc/29/37/22/287293722.db2.gz JTWOPPTWRLOTJV-HZPDHXFCSA-N 1 3 310.486 1.000 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCCC1 ZINC000331579818 415139927 /nfs/dbraw/zinc/13/99/27/415139927.db2.gz FQGVYDSEQWMNCF-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000342408997 415169091 /nfs/dbraw/zinc/16/90/91/415169091.db2.gz OAVVNUCIYQLDRK-PMPSAXMXSA-N 1 3 306.454 0.462 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332085123 415235271 /nfs/dbraw/zinc/23/52/71/415235271.db2.gz FFNLSPGVRZGIRB-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332085123 415235278 /nfs/dbraw/zinc/23/52/78/415235278.db2.gz FFNLSPGVRZGIRB-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000332085359 415237094 /nfs/dbraw/zinc/23/70/94/415237094.db2.gz FMVVUKYDQQLWKB-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO COC1CC[NH+](C(C)(C)CNC(=O)NCCN(C)C)CC1 ZINC000342689396 415253851 /nfs/dbraw/zinc/25/38/51/415253851.db2.gz WASXOFZKISHBKX-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000342765464 415284611 /nfs/dbraw/zinc/28/46/11/415284611.db2.gz OOCQNKJUGIZUSQ-CQSZACIVSA-N 1 3 311.426 0.744 20 0 DCADHO NC[C@H]1CCCN1C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000332139736 415263789 /nfs/dbraw/zinc/26/37/89/415263789.db2.gz MWVGFWUOTBKYKZ-OAHLLOKOSA-N 1 3 322.453 0.413 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000342763705 415286028 /nfs/dbraw/zinc/28/60/28/415286028.db2.gz DHUDWUGYVRWDRK-OLZOCXBDSA-N 1 3 313.442 0.894 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000342763705 415286032 /nfs/dbraw/zinc/28/60/32/415286032.db2.gz DHUDWUGYVRWDRK-OLZOCXBDSA-N 1 3 313.442 0.894 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422908037 287303477 /nfs/dbraw/zinc/30/34/77/287303477.db2.gz CUHVQHOKNYEWKQ-HOTGVXAUSA-N 1 3 304.438 0.947 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000332567847 415417344 /nfs/dbraw/zinc/41/73/44/415417344.db2.gz BTSPBCGWAPEFDU-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO COc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000077758529 415460864 /nfs/dbraw/zinc/46/08/64/415460864.db2.gz VUSPVZAISKRYCJ-UHFFFAOYSA-N 1 3 323.441 0.725 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(N)C(F)(F)F)CC1 ZINC000353451063 415549088 /nfs/dbraw/zinc/54/90/88/415549088.db2.gz PIUXDMHEDLGYSZ-MWLCHTKSSA-N 1 3 311.348 0.427 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343316336 415551774 /nfs/dbraw/zinc/55/17/74/415551774.db2.gz ZKUYGEBQFFGBSI-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343316336 415551780 /nfs/dbraw/zinc/55/17/80/415551780.db2.gz ZKUYGEBQFFGBSI-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN(C)CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103307101 415617638 /nfs/dbraw/zinc/61/76/38/415617638.db2.gz AJSDTSVBWCVVMA-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CCCC[C@@H]2C[NH3+])CCSC1 ZINC000333398631 415635665 /nfs/dbraw/zinc/63/56/65/415635665.db2.gz PRBPSJPKIFRILU-TZMCWYRMSA-N 1 3 300.472 0.947 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000333451990 415653046 /nfs/dbraw/zinc/65/30/46/415653046.db2.gz XQPXYAZWEXWZEA-SCRDCRAPSA-N 1 3 300.472 0.802 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343634718 415664782 /nfs/dbraw/zinc/66/47/82/415664782.db2.gz GZOCVKOQDSTNAD-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343634718 415664789 /nfs/dbraw/zinc/66/47/89/415664789.db2.gz GZOCVKOQDSTNAD-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])C[C@H]2N)cn1 ZINC000333613241 415695652 /nfs/dbraw/zinc/69/56/52/415695652.db2.gz SIHGPGFVUGONBC-BEAPCOKYSA-N 1 3 320.441 0.374 20 0 DCADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)C2)C1 ZINC000333703044 415717773 /nfs/dbraw/zinc/71/77/73/415717773.db2.gz RCSJDKAPDDFABU-GDBMZVCRSA-N 1 3 310.442 0.492 20 0 DCADHO CC(C)OC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343746879 415709915 /nfs/dbraw/zinc/70/99/15/415709915.db2.gz XYTCZHCYAHMWKU-DOTOQJQBSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000333826762 415746169 /nfs/dbraw/zinc/74/61/69/415746169.db2.gz LSTKWHSMQYWSRZ-OFQRWUPVSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333931580 415769410 /nfs/dbraw/zinc/76/94/10/415769410.db2.gz GDDFLIWYHUHJEM-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO CN1CCN(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000333834777 415749990 /nfs/dbraw/zinc/74/99/90/415749990.db2.gz UCJNBMIPZHKBNI-CABCVRRESA-N 1 3 323.485 0.548 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)N(C)C1 ZINC000333889375 415758408 /nfs/dbraw/zinc/75/84/08/415758408.db2.gz XVWSCLGNROSCOP-OFQRWUPVSA-N 1 3 312.458 0.737 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000122105095 415827297 /nfs/dbraw/zinc/82/72/97/415827297.db2.gz HGCLBZITPFDQOT-QGZVFWFLSA-N 1 3 322.453 0.860 20 0 DCADHO C[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000128455610 415898705 /nfs/dbraw/zinc/89/87/05/415898705.db2.gz JZIDOISQVILKND-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO C[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000128455610 415898709 /nfs/dbraw/zinc/89/87/09/415898709.db2.gz JZIDOISQVILKND-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000296294462 415917892 /nfs/dbraw/zinc/91/78/92/415917892.db2.gz FSJDAXUDRWDUSX-ZDUSSCGKSA-N 1 3 303.410 0.962 20 0 DCADHO CSCC[C@H](N)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000133148019 415940674 /nfs/dbraw/zinc/94/06/74/415940674.db2.gz UAWVXOCIBRGRIM-OCCSQVGLSA-N 1 3 317.499 0.618 20 0 DCADHO CC(C)N1CCN(CCC[NH+]2CCC(OCCO)CC2)CC1 ZINC000337328357 415945134 /nfs/dbraw/zinc/94/51/34/415945134.db2.gz YRYHTAYGVUAZGY-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000173580296 416062150 /nfs/dbraw/zinc/06/21/50/416062150.db2.gz DUAIEGMGGFAYDL-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc[nH]n1 ZINC000174053395 416072030 /nfs/dbraw/zinc/07/20/30/416072030.db2.gz TWFPDNNECVOLKU-HNNXBMFYSA-N 1 3 322.457 0.967 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc[nH]n1 ZINC000174053395 416072034 /nfs/dbraw/zinc/07/20/34/416072034.db2.gz TWFPDNNECVOLKU-HNNXBMFYSA-N 1 3 322.457 0.967 20 0 DCADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)CC1 ZINC000345010997 416026592 /nfs/dbraw/zinc/02/65/92/416026592.db2.gz HAUXHMPNYMQKNT-DLBZAZTESA-N 1 3 320.481 0.567 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N(C)C1CC1 ZINC000339962703 416171177 /nfs/dbraw/zinc/17/11/77/416171177.db2.gz NSHCAQSJHMGAQZ-LBPRGKRZSA-N 1 3 322.453 0.328 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340479896 416187829 /nfs/dbraw/zinc/18/78/29/416187829.db2.gz VEYFVNHUVAXKHG-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340479896 416187834 /nfs/dbraw/zinc/18/78/34/416187834.db2.gz VEYFVNHUVAXKHG-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000358117115 416195047 /nfs/dbraw/zinc/19/50/47/416195047.db2.gz AKLALPZZOCLVBI-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000358117115 416195048 /nfs/dbraw/zinc/19/50/48/416195048.db2.gz AKLALPZZOCLVBI-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000330127146 416195656 /nfs/dbraw/zinc/19/56/56/416195656.db2.gz DDPBGVQYUJNWJS-CHWSQXEVSA-N 1 3 308.426 0.985 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000330127146 416195658 /nfs/dbraw/zinc/19/56/58/416195658.db2.gz DDPBGVQYUJNWJS-CHWSQXEVSA-N 1 3 308.426 0.985 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000341655744 416219311 /nfs/dbraw/zinc/21/93/11/416219311.db2.gz VFIBACGKSDXLOX-DZGCQCFKSA-N 1 3 312.458 0.737 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000341655744 416219312 /nfs/dbraw/zinc/21/93/12/416219312.db2.gz VFIBACGKSDXLOX-DZGCQCFKSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000358504041 416244201 /nfs/dbraw/zinc/24/42/01/416244201.db2.gz QTDXZMHJDARTDJ-KBPBESRZSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358505624 416245800 /nfs/dbraw/zinc/24/58/00/416245800.db2.gz KUDBHGFZKQYMCD-KGLIPLIRSA-N 1 3 322.453 0.174 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000341981811 416262460 /nfs/dbraw/zinc/26/24/60/416262460.db2.gz KEQQYZBRNGKTQA-ZDUSSCGKSA-N 1 3 324.469 0.574 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000341995337 416264307 /nfs/dbraw/zinc/26/43/07/416264307.db2.gz MXCMUSBUBSJLKV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000341995337 416264310 /nfs/dbraw/zinc/26/43/10/416264310.db2.gz MXCMUSBUBSJLKV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1ccc(N2CCC[C@H](N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)C2=O)n1 ZINC000342126732 416285640 /nfs/dbraw/zinc/28/56/40/416285640.db2.gz FAGXBHJYMPDATL-XQLPTFJDSA-N 1 3 317.437 0.975 20 0 DCADHO CCN(CCO)CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415965829 416358412 /nfs/dbraw/zinc/35/84/12/416358412.db2.gz VJOPRMUQTCCDKV-ZDUSSCGKSA-N 1 3 321.425 0.333 20 0 DCADHO CN(C)CCn1ccc(NC(=O)Nc2ccc(C[NH3+])cc2)n1 ZINC000415957962 416358473 /nfs/dbraw/zinc/35/84/73/416358473.db2.gz NEWOODSMEHHXPG-UHFFFAOYSA-N 1 3 302.382 1.547 20 0 DCADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000359327955 416341606 /nfs/dbraw/zinc/34/16/06/416341606.db2.gz HTZIYISGGMRIOZ-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415737076 416352558 /nfs/dbraw/zinc/35/25/58/416352558.db2.gz PKRLEOUKJUKXKM-UHFFFAOYSA-N 1 3 304.394 0.425 20 0 DCADHO COCCN1CC[C@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415939015 416357503 /nfs/dbraw/zinc/35/75/03/416357503.db2.gz PWWUJFMDTAEYKT-AWEZNQCLSA-N 1 3 322.409 0.866 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419976618 416416122 /nfs/dbraw/zinc/41/61/22/416416122.db2.gz LRSLGELSGWYWAR-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H]([NH3+])CC ZINC000418702866 416389043 /nfs/dbraw/zinc/38/90/43/416389043.db2.gz DZLIUIMNKPWZDR-HNNXBMFYSA-N 1 3 313.490 0.783 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419141409 416397152 /nfs/dbraw/zinc/39/71/52/416397152.db2.gz VCFZKUHSRKOMOH-MGPQQGTHSA-N 1 3 312.458 0.609 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419292802 416398871 /nfs/dbraw/zinc/39/88/71/416398871.db2.gz ZQKUHCCNYQICQE-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000419381851 416400634 /nfs/dbraw/zinc/40/06/34/416400634.db2.gz YTIMOYCXDCVSDI-OAHLLOKOSA-N 1 3 320.437 0.131 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419528524 416403312 /nfs/dbraw/zinc/40/33/12/416403312.db2.gz WGFRFTIMQQMJLC-HIFRSBDPSA-N 1 3 320.437 0.649 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419528524 416403313 /nfs/dbraw/zinc/40/33/13/416403313.db2.gz WGFRFTIMQQMJLC-HIFRSBDPSA-N 1 3 320.437 0.649 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000419528076 416403392 /nfs/dbraw/zinc/40/33/92/416403392.db2.gz VZKKUXMZIMXCKT-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000419528076 416403393 /nfs/dbraw/zinc/40/33/93/416403393.db2.gz VZKKUXMZIMXCKT-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419719591 416406040 /nfs/dbraw/zinc/40/60/40/416406040.db2.gz CSWANMASGFXRPJ-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO CN(CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000583340906 416463317 /nfs/dbraw/zinc/46/33/17/416463317.db2.gz QERQWZHGYLXQBN-SFHVURJKSA-N 1 3 317.433 0.834 20 0 DCADHO CN(CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000583340906 416463321 /nfs/dbraw/zinc/46/33/21/416463321.db2.gz QERQWZHGYLXQBN-SFHVURJKSA-N 1 3 317.433 0.834 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCCN1C ZINC000458676483 416490825 /nfs/dbraw/zinc/49/08/25/416490825.db2.gz ZGHKRGMSORDVJN-RBSFLKMASA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CCCN1C ZINC000458676483 416490829 /nfs/dbraw/zinc/49/08/29/416490829.db2.gz ZGHKRGMSORDVJN-RBSFLKMASA-N 1 3 312.458 0.615 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000423173278 416472835 /nfs/dbraw/zinc/47/28/35/416472835.db2.gz XUJJJKBNCFCJPG-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO COC[C@]1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[NH2+]C1 ZINC000423307452 416487447 /nfs/dbraw/zinc/48/74/47/416487447.db2.gz NEPIIRLEDFFYIW-AEFFLSMTSA-N 1 3 319.449 0.902 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422292294 416425010 /nfs/dbraw/zinc/42/50/10/416425010.db2.gz IJYYTPWUIIHDAO-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422292294 416425011 /nfs/dbraw/zinc/42/50/11/416425011.db2.gz IJYYTPWUIIHDAO-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422483637 416433815 /nfs/dbraw/zinc/43/38/15/416433815.db2.gz ASKKJFATPOMMAT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422483637 416433817 /nfs/dbraw/zinc/43/38/17/416433817.db2.gz ASKKJFATPOMMAT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422487417 416434365 /nfs/dbraw/zinc/43/43/65/416434365.db2.gz IGECGARIPDOZHC-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422487417 416434367 /nfs/dbraw/zinc/43/43/67/416434367.db2.gz IGECGARIPDOZHC-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO COCCN(C)CCNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458246289 416446543 /nfs/dbraw/zinc/44/65/43/416446543.db2.gz VLZQTHMIHBKHNP-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422975895 416454687 /nfs/dbraw/zinc/45/46/87/416454687.db2.gz UGYAWGOCPRDABM-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423620907 416528230 /nfs/dbraw/zinc/52/82/30/416528230.db2.gz XAQQPJFMUAJYMH-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000423694365 416542695 /nfs/dbraw/zinc/54/26/95/416542695.db2.gz ATZCIPFPMDJVQS-CYBMUJFWSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)(C)CCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362079866 416558846 /nfs/dbraw/zinc/55/88/46/416558846.db2.gz QISJRNQSJPGNKL-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)(C)CCN1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362079866 416558849 /nfs/dbraw/zinc/55/88/49/416558849.db2.gz QISJRNQSJPGNKL-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000423369933 416499477 /nfs/dbraw/zinc/49/94/77/416499477.db2.gz CSMAXHMMEBKSCF-QLFBSQMISA-N 1 3 324.469 0.513 20 0 DCADHO CN1CC[C@@H]2OCCN(C(=O)[C@H](C[NH3+])c3ccccc3)[C@H]2C1 ZINC000423930294 416593252 /nfs/dbraw/zinc/59/32/52/416593252.db2.gz KFIBELFRSUGGNH-PMPSAXMXSA-N 1 3 303.406 0.660 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC000365604593 416604616 /nfs/dbraw/zinc/60/46/16/416604616.db2.gz WSNJSAKNUJDSCW-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO NC1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC1 ZINC000424019876 416606857 /nfs/dbraw/zinc/60/68/57/416606857.db2.gz NBBDGYBWIAUDQZ-UHFFFAOYSA-N 1 3 316.449 0.978 20 0 DCADHO C[C@H]1C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000540011973 416588022 /nfs/dbraw/zinc/58/80/22/416588022.db2.gz CUIUIOWPFDCHDA-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000514859115 416679631 /nfs/dbraw/zinc/67/96/31/416679631.db2.gz JIZLOMHWMVZCSE-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)n1cncc1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000424147641 416618452 /nfs/dbraw/zinc/61/84/52/416618452.db2.gz RXNVSHVRSWDVLQ-UHFFFAOYSA-N 1 3 323.485 0.944 20 0 DCADHO O=C(N[C@H]1CNCCC1(F)F)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424170449 416622089 /nfs/dbraw/zinc/62/20/89/416622089.db2.gz AZVLHABZLZWPOA-ONGXEEELSA-N 1 3 313.352 0.604 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424455541 416648161 /nfs/dbraw/zinc/64/81/61/416648161.db2.gz STMIPRBABZBZQY-FPMFFAJLSA-N 1 3 308.430 0.196 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCN1C ZINC000424464966 416650823 /nfs/dbraw/zinc/65/08/23/416650823.db2.gz REJCMSYKKSIIPM-MHEUCROKSA-N 1 3 320.441 0.339 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](C2CC2)CC1 ZINC000369028295 416716118 /nfs/dbraw/zinc/71/61/18/416716118.db2.gz WBNFOEFYCYCQSL-HZPDHXFCSA-N 1 3 322.453 0.776 20 0 DCADHO Cn1ccc(N2CCC[C@H](N3CCC[C@@H](CC[NH3+])C3)C2=O)n1 ZINC000443063026 416729580 /nfs/dbraw/zinc/72/95/80/416729580.db2.gz VJJUDBKDCMHLIC-KBPBESRZSA-N 1 3 305.426 0.976 20 0 DCADHO C[C@H](NS(=O)(=O)CCCN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000631902803 416786612 /nfs/dbraw/zinc/78/66/12/416786612.db2.gz RCXOOISIMKDECZ-UONOGXRCSA-N 1 3 303.472 0.780 20 0 DCADHO C[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)[C@H]1C[NH3+] ZINC000631905452 416789022 /nfs/dbraw/zinc/78/90/22/416789022.db2.gz NCEYYGUHLRPXAT-KBPBESRZSA-N 1 3 303.472 0.861 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000631931615 416810922 /nfs/dbraw/zinc/81/09/22/416810922.db2.gz LYNJGIAXRPNIAN-UONOGXRCSA-N 1 3 301.456 0.486 20 0 DCADHO C[C@@]1(CNS(=O)(=O)CCCN2CCCC2)CCC[NH2+]C1 ZINC000631934506 416812377 /nfs/dbraw/zinc/81/23/77/416812377.db2.gz CYUJCXZCAMZOFX-CQSZACIVSA-N 1 3 303.472 0.781 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444173134 416812934 /nfs/dbraw/zinc/81/29/34/416812934.db2.gz TVHAFGPUQCQBCC-JKIFEVAISA-N 1 3 322.453 0.045 20 0 DCADHO C[C@]1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCC[NH2+]C1 ZINC000518501218 416859515 /nfs/dbraw/zinc/85/95/15/416859515.db2.gz FCEBYOZAHWFDRR-PBHICJAKSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000563132544 416874782 /nfs/dbraw/zinc/87/47/82/416874782.db2.gz UBKYAUZUQDHABV-NWDGAFQWSA-N 1 3 308.430 1.397 20 0 DCADHO CC[NH+]1CCC(CCNS(=O)(=O)CCCN(C)C)CC1 ZINC000632034422 416878674 /nfs/dbraw/zinc/87/86/74/416878674.db2.gz UMJJYOILQMIKKQ-UHFFFAOYSA-N 1 3 305.488 0.980 20 0 DCADHO CCN(CCO)CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447044918 416961522 /nfs/dbraw/zinc/96/15/22/416961522.db2.gz QJUNAFYNBLGKQD-UHFFFAOYSA-N 1 3 312.458 0.474 20 0 DCADHO Cc1c(C(=O)N2CCN[C@@H](C)[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000564994769 416905847 /nfs/dbraw/zinc/90/58/47/416905847.db2.gz HQAMNIMKNCYWJK-QWRGUYRKSA-N 1 3 306.414 0.333 20 0 DCADHO C[C@H]1CN(CC2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000446291575 416920124 /nfs/dbraw/zinc/92/01/24/416920124.db2.gz APSWHEJTDWLAAS-DZKIICNBSA-N 1 3 309.454 0.944 20 0 DCADHO Cc1cc(NC(=O)CC[NH2+]CCN2CCN(C)C(C)(C)C2)no1 ZINC000565828978 417020901 /nfs/dbraw/zinc/02/09/01/417020901.db2.gz PACPMBKOGBTHAI-UHFFFAOYSA-N 1 3 323.441 0.927 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C(=O)NCCN1CCCCC1 ZINC000565831616 417022816 /nfs/dbraw/zinc/02/28/16/417022816.db2.gz AZBKCPZCKCTYJM-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCC[N@H+](CCCNCc2cc3c(cn2)OCCO3)CC1 ZINC000641717228 416985033 /nfs/dbraw/zinc/98/50/33/416985033.db2.gz ASTLFCRWPJUWJP-UHFFFAOYSA-N 1 3 320.437 0.970 20 0 DCADHO CN1CCC[N@@H+](CCCNCc2cc3c(cn2)OCCO3)CC1 ZINC000641717228 416985041 /nfs/dbraw/zinc/98/50/41/416985041.db2.gz ASTLFCRWPJUWJP-UHFFFAOYSA-N 1 3 320.437 0.970 20 0 DCADHO C[N@@H+]1CCCN(CCCNCc2cc3c(cn2)OCCO3)CC1 ZINC000641717228 416985046 /nfs/dbraw/zinc/98/50/46/416985046.db2.gz ASTLFCRWPJUWJP-UHFFFAOYSA-N 1 3 320.437 0.970 20 0 DCADHO C[N@H+]1CCCN(CCCNCc2cc3c(cn2)OCCO3)CC1 ZINC000641717228 416985051 /nfs/dbraw/zinc/98/50/51/416985051.db2.gz ASTLFCRWPJUWJP-UHFFFAOYSA-N 1 3 320.437 0.970 20 0 DCADHO C[NH+](C)C1CCC2(CC1)CCN(c1nc(N)nc(N)n1)CC2 ZINC000624247888 416990037 /nfs/dbraw/zinc/99/00/37/416990037.db2.gz VFGZVDLMDZYDFM-UHFFFAOYSA-N 1 3 305.430 0.788 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)[C@H](C)N2CC(C)C2)CC1 ZINC000568199750 417099417 /nfs/dbraw/zinc/09/94/17/417099417.db2.gz HIBZXWPAPFIKAB-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642431198 417052084 /nfs/dbraw/zinc/05/20/84/417052084.db2.gz TWPMLJZJUPXWLR-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000642439687 417052097 /nfs/dbraw/zinc/05/20/97/417052097.db2.gz NKGJKHQQOWESIN-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000632382203 417052409 /nfs/dbraw/zinc/05/24/09/417052409.db2.gz HPQOKYDUADCPGA-UHFFFAOYSA-N 1 3 311.451 0.930 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000642439360 417053072 /nfs/dbraw/zinc/05/30/72/417053072.db2.gz CKOZSNQDEUTVGC-CJNGLKHVSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000642439941 417055101 /nfs/dbraw/zinc/05/51/01/417055101.db2.gz SLCTVMPTSVYALG-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000430700095 417059016 /nfs/dbraw/zinc/05/90/16/417059016.db2.gz AJGPMEPBLPNUNN-QLFBSQMISA-N 1 3 313.442 0.371 20 0 DCADHO C[NH+](C)CCCOc1ccc(CNC(=O)COC2CNC2)cc1 ZINC000430898238 417080263 /nfs/dbraw/zinc/08/02/63/417080263.db2.gz VBXUTMIFDGJBTM-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000642895848 417113087 /nfs/dbraw/zinc/11/30/87/417113087.db2.gz ODHKQOZQDIHHEN-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642906608 417117007 /nfs/dbraw/zinc/11/70/07/417117007.db2.gz WLALSMQIPSHTFP-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1=O ZINC000430726837 287351143 /nfs/dbraw/zinc/35/11/43/287351143.db2.gz WZEVVGWMCLMBHN-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449310418 417138316 /nfs/dbraw/zinc/13/83/16/417138316.db2.gz GKWYVTXESGNMFU-OLZOCXBDSA-N 1 3 306.414 0.244 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2(N)CCC2)CC1 ZINC000449333646 417140309 /nfs/dbraw/zinc/14/03/09/417140309.db2.gz BUZXLNPVPFQDNV-GASCZTMLSA-N 1 3 308.470 0.885 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2(N)CCC2)CC1 ZINC000449333646 417140317 /nfs/dbraw/zinc/14/03/17/417140317.db2.gz BUZXLNPVPFQDNV-GASCZTMLSA-N 1 3 308.470 0.885 20 0 DCADHO COCCN(C)CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449338471 417142072 /nfs/dbraw/zinc/14/20/72/417142072.db2.gz GSORJDOOASRGDK-QGZVFWFLSA-N 1 3 305.422 0.612 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642980012 417135813 /nfs/dbraw/zinc/13/58/13/417135813.db2.gz UNTAHARCYAEXAJ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC(n2ccc(NC(=O)N[C@@H]3CC[NH2+]C3(C)C)n2)CC1 ZINC000568606739 417154633 /nfs/dbraw/zinc/15/46/33/417154633.db2.gz YVMQMVKDUHZGEC-CYBMUJFWSA-N 1 3 320.441 1.412 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000568749274 417169832 /nfs/dbraw/zinc/16/98/32/417169832.db2.gz HWXKLPXUACXKGN-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000643398187 417188566 /nfs/dbraw/zinc/18/85/66/417188566.db2.gz DAFYZBUWHDXXFP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637813982 417195525 /nfs/dbraw/zinc/19/55/25/417195525.db2.gz HJOALEZAVSQXFX-JKSUJKDBSA-N 1 3 304.438 0.562 20 0 DCADHO CN(C)CCn1c2cc(C(=O)N(C)CCC[NH3+])ccc2[nH]c1=O ZINC000637854384 417209050 /nfs/dbraw/zinc/20/90/50/417209050.db2.gz HOIHZQJJARLGPH-UHFFFAOYSA-N 1 3 319.409 0.724 20 0 DCADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000643451109 417210370 /nfs/dbraw/zinc/21/03/70/417210370.db2.gz FMWOWKBCEYTGCK-JKSUJKDBSA-N 1 3 318.469 0.576 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000527063619 417210356 /nfs/dbraw/zinc/21/03/56/417210356.db2.gz KHTRQGJBGHZXGG-ZIAGYGMSSA-N 1 3 312.458 0.230 20 0 DCADHO CN(CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000569092998 417213622 /nfs/dbraw/zinc/21/36/22/417213622.db2.gz KSTFZLMGJPGNIB-INIZCTEOSA-N 1 3 319.453 0.403 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643482948 417222238 /nfs/dbraw/zinc/22/22/38/417222238.db2.gz FVWUSUHEOPBDHM-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000643498726 417227106 /nfs/dbraw/zinc/22/71/06/417227106.db2.gz JOQHNKSLQKWAAI-HUUCEWRRSA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433390348 417264735 /nfs/dbraw/zinc/26/47/35/417264735.db2.gz ZQVMWWLXQZRZNN-UONOGXRCSA-N 1 3 322.457 0.909 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CN1C1CC1 ZINC000433401626 417267049 /nfs/dbraw/zinc/26/70/49/417267049.db2.gz SXFJOEGPGKLORS-MBNYWOFBSA-N 1 3 318.425 0.558 20 0 DCADHO CN(CCN1CCCC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627227739 417288471 /nfs/dbraw/zinc/28/84/71/417288471.db2.gz DOHGNPSUOLCHME-CQSZACIVSA-N 1 3 321.429 0.050 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1(O)CCC1 ZINC000569278328 417234416 /nfs/dbraw/zinc/23/44/16/417234416.db2.gz DSHQPLWCHPHWHO-UHFFFAOYSA-N 1 3 300.447 0.426 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000643552936 417242414 /nfs/dbraw/zinc/24/24/14/417242414.db2.gz ZIHKSCKKEKGZDY-MJBXVCDLSA-N 1 3 322.453 0.125 20 0 DCADHO CN(C)C[C@H]1CCCCN1C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570393676 417349063 /nfs/dbraw/zinc/34/90/63/417349063.db2.gz LHQUTJMLKQXPFH-ZIAGYGMSSA-N 1 3 320.441 0.586 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415261834 417349270 /nfs/dbraw/zinc/34/92/70/417349270.db2.gz DWWGJGUZUIYGSO-CQSZACIVSA-N 1 3 318.421 0.945 20 0 DCADHO CC(C)N1CCN(C2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000627249732 417302201 /nfs/dbraw/zinc/30/22/01/417302201.db2.gz BHFJWUNHGUNKIN-OAHLLOKOSA-N 1 3 323.485 0.548 20 0 DCADHO C[C@H](Cn1cccn1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969407 417316551 /nfs/dbraw/zinc/31/65/51/417316551.db2.gz GOUPBLCLFCEQEH-VXGBXAGGSA-N 1 3 305.348 0.697 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000570154969 417318312 /nfs/dbraw/zinc/31/83/12/417318312.db2.gz GSIADPZCTRMGOB-OAHLLOKOSA-N 1 3 301.475 0.636 20 0 DCADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)NC1CNC1 ZINC000570263218 417331041 /nfs/dbraw/zinc/33/10/41/417331041.db2.gz YRDDNIRYXYBACQ-UHFFFAOYSA-N 1 3 316.405 0.351 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000627312248 417346729 /nfs/dbraw/zinc/34/67/29/417346729.db2.gz USTYJYHBNOEDFC-MELADBBJSA-N 1 3 312.458 0.276 20 0 DCADHO CO[C@H]1CN[C@@](C)(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC000638231403 417385490 /nfs/dbraw/zinc/38/54/90/417385490.db2.gz MNQDNBMBCKNUSB-ATEUNZGCSA-N 1 3 310.423 0.665 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000633187233 417386990 /nfs/dbraw/zinc/38/69/90/417386990.db2.gz AVZSVOYKDMLIBC-MRXNPFEDSA-N 1 3 305.426 0.613 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000633187233 417386999 /nfs/dbraw/zinc/38/69/99/417386999.db2.gz AVZSVOYKDMLIBC-MRXNPFEDSA-N 1 3 305.426 0.613 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000638232020 417387737 /nfs/dbraw/zinc/38/77/37/417387737.db2.gz RXFPYYCYKJMQKI-IJEWVQPXSA-N 1 3 315.458 0.474 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638245925 417389504 /nfs/dbraw/zinc/38/95/04/417389504.db2.gz YVRYIYZYZOTBJS-HZPDHXFCSA-N 1 3 316.449 0.704 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)CN1CC[NH2+]CC1 ZINC000638274646 417399577 /nfs/dbraw/zinc/39/95/77/417399577.db2.gz CSFWVTUMCAUFGC-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)CCN1CCC([NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000638356081 417432467 /nfs/dbraw/zinc/43/24/67/417432467.db2.gz MEUSYKCYXQLRRW-UHFFFAOYSA-N 1 3 312.502 0.713 20 0 DCADHO NC(C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(F)(F)F ZINC000571047130 417417196 /nfs/dbraw/zinc/41/71/96/417417196.db2.gz UUUQYVXPVOQBID-OUAUKWLOSA-N 1 3 309.332 0.621 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638332726 417425020 /nfs/dbraw/zinc/42/50/20/417425020.db2.gz QVJAZPFXFREXNE-HZPDHXFCSA-N 1 3 304.438 0.641 20 0 DCADHO N[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@H]1c1ccccc1F ZINC000638348250 417429782 /nfs/dbraw/zinc/42/97/82/417429782.db2.gz FZCXTIWBUAXLHW-LXZKKBNFSA-N 1 3 321.396 0.834 20 0 DCADHO CN(C)CCn1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cn1 ZINC000638350630 417430204 /nfs/dbraw/zinc/43/02/04/417430204.db2.gz MRWWOVDCRXXVPT-OAHLLOKOSA-N 1 3 313.405 0.975 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000627357238 417372586 /nfs/dbraw/zinc/37/25/86/417372586.db2.gz AZRNHOSNMKRNLF-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000627357238 417372589 /nfs/dbraw/zinc/37/25/89/417372589.db2.gz AZRNHOSNMKRNLF-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638527795 417482901 /nfs/dbraw/zinc/48/29/01/417482901.db2.gz YNSMGPBRIGPQNF-VXGBXAGGSA-N 1 3 306.410 0.900 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000575370456 417529449 /nfs/dbraw/zinc/52/94/49/417529449.db2.gz VJXUUPFJOOSHNU-ZDUSSCGKSA-N 1 3 308.430 1.003 20 0 DCADHO CN1CCN(CC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000575816141 417551568 /nfs/dbraw/zinc/55/15/68/417551568.db2.gz XSIPQALLXDHAHW-HNNXBMFYSA-N 1 3 309.458 0.017 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638784503 417557032 /nfs/dbraw/zinc/55/70/32/417557032.db2.gz IKVOKUCQGWYDGM-FVQBIDKESA-N 1 3 309.454 0.992 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638800056 417560471 /nfs/dbraw/zinc/56/04/71/417560471.db2.gz JDBUJMAHFYOTJZ-XHSDSOJGSA-N 1 3 303.406 0.741 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638800056 417560477 /nfs/dbraw/zinc/56/04/77/417560477.db2.gz JDBUJMAHFYOTJZ-XHSDSOJGSA-N 1 3 303.406 0.741 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638638642 417523470 /nfs/dbraw/zinc/52/34/70/417523470.db2.gz FLTGFOLOZXOWIR-KGLIPLIRSA-N 1 3 301.431 0.228 20 0 DCADHO CN1CCC(n2cc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cn2)CC1 ZINC000638976818 417594531 /nfs/dbraw/zinc/59/45/31/417594531.db2.gz CXMPZCXJDPMMKS-LRDDRELGSA-N 1 3 319.409 0.324 20 0 DCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047648 417603378 /nfs/dbraw/zinc/60/33/78/417603378.db2.gz VKZJTXLAHXPLGW-AEFFLSMTSA-N 1 3 317.433 0.691 20 0 DCADHO C[N@H+]1CC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047648 417603382 /nfs/dbraw/zinc/60/33/82/417603382.db2.gz VKZJTXLAHXPLGW-AEFFLSMTSA-N 1 3 317.433 0.691 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)NCCNc2cc[nH+]cc2)C1(C)C ZINC000576035117 417573644 /nfs/dbraw/zinc/57/36/44/417573644.db2.gz DFKGEEQZUPMPKZ-BBRMVZONSA-N 1 3 306.410 0.564 20 0 DCADHO CN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000577003997 417653247 /nfs/dbraw/zinc/65/32/47/417653247.db2.gz DFXNHFKETQFZJM-JSGCOSHPSA-N 1 3 318.421 0.930 20 0 DCADHO CN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000577003997 417653253 /nfs/dbraw/zinc/65/32/53/417653253.db2.gz DFXNHFKETQFZJM-JSGCOSHPSA-N 1 3 318.421 0.930 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630932678 417829421 /nfs/dbraw/zinc/82/94/21/417829421.db2.gz OFRDNDPLECZLPU-OAHLLOKOSA-N 1 3 323.441 0.285 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662518347 417792756 /nfs/dbraw/zinc/79/27/56/417792756.db2.gz QZVIAISDVZYEBZ-ZDUSSCGKSA-N 1 3 320.462 0.514 20 0 DCADHO CC(C)([NH3+])CC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000645817412 417800895 /nfs/dbraw/zinc/80/08/95/417800895.db2.gz WEEOEPNPOGFWJD-UHFFFAOYSA-N 1 3 319.453 0.837 20 0 DCADHO O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)C12CCC[NH+](CCC1)C2 ZINC000635928550 417802129 /nfs/dbraw/zinc/80/21/29/417802129.db2.gz ITRXKQKHFOFVJI-LSDHHAIUSA-N 1 3 307.438 0.530 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)C1 ZINC000640267447 417807976 /nfs/dbraw/zinc/80/79/76/417807976.db2.gz BBCYMMZUSQWNJS-GJZGRUSLSA-N 1 3 309.458 0.145 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662619391 417822047 /nfs/dbraw/zinc/82/20/47/417822047.db2.gz LBEUTWZFPOAKPA-LBPRGKRZSA-N 1 3 320.441 0.805 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652150361 417851914 /nfs/dbraw/zinc/85/19/14/417851914.db2.gz UGMFHFZODXOFIW-ZOBUZTSGSA-N 1 3 324.469 0.868 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1=O ZINC000636089137 417867732 /nfs/dbraw/zinc/86/77/32/417867732.db2.gz JXHBMMAXJDTLGV-HZSPNIEDSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(N(C)C)n1C ZINC000657573744 417874253 /nfs/dbraw/zinc/87/42/53/417874253.db2.gz SCVYIDTXMAJXAD-AWEZNQCLSA-N 1 3 310.490 0.848 20 0 DCADHO CNCc1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000646626353 417883822 /nfs/dbraw/zinc/88/38/22/417883822.db2.gz MCRSUBUZCAWQAZ-AWEZNQCLSA-N 1 3 304.394 0.603 20 0 DCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662802174 417909920 /nfs/dbraw/zinc/90/99/20/417909920.db2.gz ZMIYBAGDBQEISV-BMFZPTHFSA-N 1 3 305.422 0.987 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662787937 417904072 /nfs/dbraw/zinc/90/40/72/417904072.db2.gz IEEVATZXNVAAEO-UHFFFAOYSA-N 1 3 322.457 0.821 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(N)C(F)(F)F)CC2)C1 ZINC000646002892 417846231 /nfs/dbraw/zinc/84/62/31/417846231.db2.gz ILWWIQFNWGSONW-WDEREUQCSA-N 1 3 308.348 0.114 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(N)C(F)(F)F)CC2)C1 ZINC000646002892 417846236 /nfs/dbraw/zinc/84/62/36/417846236.db2.gz ILWWIQFNWGSONW-WDEREUQCSA-N 1 3 308.348 0.114 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662674170 417846716 /nfs/dbraw/zinc/84/67/16/417846716.db2.gz ZHZGRUMQLAUVKV-CABCVRRESA-N 1 3 307.394 0.929 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000663009589 417975788 /nfs/dbraw/zinc/97/57/88/417975788.db2.gz FWAXQRHGHPAOLJ-CPUCHLNUSA-N 1 3 322.453 0.187 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C3([NH2+]C4CC4)CCC3)C2)nn1 ZINC000662812442 417913676 /nfs/dbraw/zinc/91/36/76/417913676.db2.gz CEBOIWMGQAVSJV-CQSZACIVSA-N 1 3 318.425 0.575 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)nn1 ZINC000662835083 417920558 /nfs/dbraw/zinc/92/05/58/417920558.db2.gz KYDJEGKDDFSKLH-JSGCOSHPSA-N 1 3 306.414 0.374 20 0 DCADHO C[NH2+]CCCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858363 417927787 /nfs/dbraw/zinc/92/77/87/417927787.db2.gz GPMTVMJCSLSIGN-INIZCTEOSA-N 1 3 305.422 0.869 20 0 DCADHO C[C@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[NH2+]C1 ZINC000662858279 417928052 /nfs/dbraw/zinc/92/80/52/417928052.db2.gz FXICHIMOYADDFL-WMZOPIPTSA-N 1 3 317.433 0.869 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860484 417931159 /nfs/dbraw/zinc/93/11/59/417931159.db2.gz SARRGTBTYJPWIV-JKSUJKDBSA-N 1 3 317.433 0.867 20 0 DCADHO CC[NH+]1CCC(NC(=O)Cn2cc([C@@](C)(N)CC)nn2)CC1 ZINC000640866841 417934794 /nfs/dbraw/zinc/93/47/94/417934794.db2.gz KONCIZDDNXHLLN-HNNXBMFYSA-N 1 3 308.430 0.463 20 0 DCADHO CC[NH+]1CCC(NC(=O)Cn2cc([C@H](N)C(C)C)nn2)CC1 ZINC000640865667 417935036 /nfs/dbraw/zinc/93/50/36/417935036.db2.gz CSBCYIWCHUJKIZ-OAHLLOKOSA-N 1 3 308.430 0.534 20 0 DCADHO CCCN1CC[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000662909541 417947268 /nfs/dbraw/zinc/94/72/68/417947268.db2.gz FVUIKYSMFWEGDM-AWEZNQCLSA-N 1 3 305.426 0.562 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCC[C@H](C)C1 ZINC000652710608 417952194 /nfs/dbraw/zinc/95/21/94/417952194.db2.gz VYUCNJKHBDCLTL-UONOGXRCSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662929157 417953640 /nfs/dbraw/zinc/95/36/40/417953640.db2.gz ADIOMGCXDCUPCA-UHFFFAOYSA-N 1 3 322.453 0.269 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000662930588 417955000 /nfs/dbraw/zinc/95/50/00/417955000.db2.gz RYGXTFNHNNTIBS-UUCFBXCCSA-N 1 3 320.437 0.023 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662938854 417957652 /nfs/dbraw/zinc/95/76/52/417957652.db2.gz IWKGDKFRLITPPA-CBCUQQMYSA-N 1 3 322.453 0.126 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662938854 417957657 /nfs/dbraw/zinc/95/76/57/417957657.db2.gz IWKGDKFRLITPPA-CBCUQQMYSA-N 1 3 322.453 0.126 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000652732877 417960224 /nfs/dbraw/zinc/96/02/24/417960224.db2.gz VJGAYATUIAJQGJ-UHFFFAOYSA-N 1 3 310.442 0.271 20 0 DCADHO CN1CCCN(c2cnc(N3CCC[N@H+](C)CC3)cn2)CC1 ZINC000663316347 418009689 /nfs/dbraw/zinc/00/96/89/418009689.db2.gz XXKQVJPMRVDHEG-UHFFFAOYSA-N 1 3 304.442 0.760 20 0 DCADHO CN1CCCN(c2cnc(N3CCC[N@@H+](C)CC3)cn2)CC1 ZINC000663316347 418009691 /nfs/dbraw/zinc/00/96/91/418009691.db2.gz XXKQVJPMRVDHEG-UHFFFAOYSA-N 1 3 304.442 0.760 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000647517365 418017976 /nfs/dbraw/zinc/01/79/76/418017976.db2.gz HKBMYYCNKNFWAG-ZWKOTPCHSA-N 1 3 321.465 0.526 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)Cc1ccccc1 ZINC000653106189 418026292 /nfs/dbraw/zinc/02/62/92/418026292.db2.gz WRJYKQZPCFCOJK-BQFCYCMXSA-N 1 3 317.433 0.512 20 0 DCADHO CN(C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1 ZINC000653105461 418026518 /nfs/dbraw/zinc/02/65/18/418026518.db2.gz WQFCUGOTQQKXJM-ZOBUZTSGSA-N 1 3 303.406 0.642 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000663500236 418027005 /nfs/dbraw/zinc/02/70/05/418027005.db2.gz JDMVYEHQJGABQT-GJZGRUSLSA-N 1 3 322.453 0.128 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000663500236 418027009 /nfs/dbraw/zinc/02/70/09/418027009.db2.gz JDMVYEHQJGABQT-GJZGRUSLSA-N 1 3 322.453 0.128 20 0 DCADHO CCn1nccc1CNC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663503197 418027141 /nfs/dbraw/zinc/02/71/41/418027141.db2.gz GVJBNUSEOKMAPY-UHFFFAOYSA-N 1 3 307.442 0.983 20 0 DCADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N(C)Cc1ccccc1 ZINC000653119512 418030988 /nfs/dbraw/zinc/03/09/88/418030988.db2.gz MGQMIXWXVPTQFI-HFTRVMKXSA-N 1 3 317.433 0.859 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000659022466 418046937 /nfs/dbraw/zinc/04/69/37/418046937.db2.gz RSFHZMNNBWRRLM-UHFFFAOYSA-N 1 3 321.425 0.629 20 0 DCADHO O=C(Nc1ccc2c(c1)CNC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000647076384 417982054 /nfs/dbraw/zinc/98/20/54/417982054.db2.gz FOCOAPHPBOAQGO-CQSZACIVSA-N 1 3 312.377 0.886 20 0 DCADHO C[NH2+]CCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659515381 418109406 /nfs/dbraw/zinc/10/94/06/418109406.db2.gz SYNWWUWTMYAZGU-HNNXBMFYSA-N 1 3 306.410 0.272 20 0 DCADHO C[NH2+]CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659514735 418109645 /nfs/dbraw/zinc/10/96/45/418109645.db2.gz NUGGIYRWIQSECJ-UHFFFAOYSA-N 1 3 305.426 0.812 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000659518569 418110161 /nfs/dbraw/zinc/11/01/61/418110161.db2.gz YFXMGJCFWIAYJS-LBPRGKRZSA-N 1 3 322.413 0.348 20 0 DCADHO CC1(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CNC1 ZINC000648168020 418112106 /nfs/dbraw/zinc/11/21/06/418112106.db2.gz NEEPIMRKMOZNRX-ZFWWWQNUSA-N 1 3 307.438 0.840 20 0 DCADHO CC1(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CNC1 ZINC000648168020 418112110 /nfs/dbraw/zinc/11/21/10/418112110.db2.gz NEEPIMRKMOZNRX-ZFWWWQNUSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648177361 418114909 /nfs/dbraw/zinc/11/49/09/418114909.db2.gz VMMVJJMFCPSRIK-HNNXBMFYSA-N 1 3 303.406 0.412 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659542375 418115713 /nfs/dbraw/zinc/11/57/13/418115713.db2.gz LUXBEHRCTJRRMA-YUELXQCFSA-N 1 3 310.442 0.679 20 0 DCADHO CN(CCN1CCCCC1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000653274534 418050387 /nfs/dbraw/zinc/05/03/87/418050387.db2.gz IMMOHLLRJSKGPR-CQSZACIVSA-N 1 3 320.441 0.761 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C[NH+]1CCCCC1 ZINC000663755111 418053505 /nfs/dbraw/zinc/05/35/05/418053505.db2.gz KBIDBBWMEWXRAI-ILXRZTDVSA-N 1 3 312.458 0.425 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663775829 418056342 /nfs/dbraw/zinc/05/63/42/418056342.db2.gz LHXDYDLLSKMDOK-HIFRSBDPSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663775829 418056346 /nfs/dbraw/zinc/05/63/46/418056346.db2.gz LHXDYDLLSKMDOK-HIFRSBDPSA-N 1 3 310.442 0.321 20 0 DCADHO COCCN1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000663824696 418059909 /nfs/dbraw/zinc/05/99/09/418059909.db2.gz FMWKUCOKECOWRK-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO CN(CCC(=O)NCC1CCCCC1)CCN1CC[NH2+]CC1 ZINC000647835794 418060554 /nfs/dbraw/zinc/06/05/54/418060554.db2.gz OOFTXJOEVCIRFN-UHFFFAOYSA-N 1 3 310.486 0.910 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCn1cccn1 ZINC000664128149 418089676 /nfs/dbraw/zinc/08/96/76/418089676.db2.gz YFBREDSXONFVNP-AWEZNQCLSA-N 1 3 310.446 0.454 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCn1cccn1 ZINC000664128149 418089680 /nfs/dbraw/zinc/08/96/80/418089680.db2.gz YFBREDSXONFVNP-AWEZNQCLSA-N 1 3 310.446 0.454 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncnc2c1OCCN2 ZINC000664194714 418096198 /nfs/dbraw/zinc/09/61/98/418096198.db2.gz HCARRHVJUPDUAO-LBPRGKRZSA-N 1 3 308.430 0.965 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncnc2c1OCCN2 ZINC000664194714 418096199 /nfs/dbraw/zinc/09/61/99/418096199.db2.gz HCARRHVJUPDUAO-LBPRGKRZSA-N 1 3 308.430 0.965 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000659622092 418129866 /nfs/dbraw/zinc/12/98/66/418129866.db2.gz LKHBYPWBJCHGAZ-HUUCEWRRSA-N 1 3 313.490 0.685 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632203 418133878 /nfs/dbraw/zinc/13/38/78/418133878.db2.gz RQMYSFUNBCYJIS-LBPRGKRZSA-N 1 3 322.413 0.267 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632203 418133880 /nfs/dbraw/zinc/13/38/80/418133880.db2.gz RQMYSFUNBCYJIS-LBPRGKRZSA-N 1 3 322.413 0.267 20 0 DCADHO CN1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@H](CN)C1 ZINC000659640731 418134817 /nfs/dbraw/zinc/13/48/17/418134817.db2.gz IQVOOKFAAIIGSF-MRXNPFEDSA-N 1 3 323.485 0.393 20 0 DCADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CC3CC2(CN)C3)CCCC1 ZINC000659672422 418141108 /nfs/dbraw/zinc/14/11/08/418141108.db2.gz VTHCAYRKMAEMAZ-UHFFFAOYSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)[C@H](CN)C1 ZINC000659679837 418144067 /nfs/dbraw/zinc/14/40/67/418144067.db2.gz POCINGFAKQRVOP-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)[C@H](CN)C1 ZINC000659679837 418144070 /nfs/dbraw/zinc/14/40/70/418144070.db2.gz POCINGFAKQRVOP-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659681088 418145747 /nfs/dbraw/zinc/14/57/47/418145747.db2.gz PGRZKNICVWAUIG-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659688862 418147597 /nfs/dbraw/zinc/14/75/97/418147597.db2.gz MSUIXMIIMYXECF-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659711503 418157468 /nfs/dbraw/zinc/15/74/68/418157468.db2.gz AURMSPUNGDQEAA-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000659723015 418163351 /nfs/dbraw/zinc/16/33/51/418163351.db2.gz JUQVHEMWPPYMRG-CJNGLKHVSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659734711 418168681 /nfs/dbraw/zinc/16/86/81/418168681.db2.gz BQNISWHYISVJJF-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659736011 418169786 /nfs/dbraw/zinc/16/97/86/418169786.db2.gz YQFOLNFGNKNOOU-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659735867 418170015 /nfs/dbraw/zinc/17/00/15/418170015.db2.gz KGPGUEUROIVJGP-AWEZNQCLSA-N 1 3 322.453 0.459 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C[NH2+]CC)CC2)C1 ZINC000659738196 418170618 /nfs/dbraw/zinc/17/06/18/418170618.db2.gz BJAVEMINFQURKQ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000659738615 418170784 /nfs/dbraw/zinc/17/07/84/418170784.db2.gz GXIVUOSPLWQYCQ-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000659740662 418172228 /nfs/dbraw/zinc/17/22/28/418172228.db2.gz DNIXNMOCYIJWPL-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(CCC)C1)[C@H]1CC[NH2+]C1 ZINC000659739632 418172333 /nfs/dbraw/zinc/17/23/33/418172333.db2.gz XYGLXQIUSALPFF-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000654662984 418173318 /nfs/dbraw/zinc/17/33/18/418173318.db2.gz AYNTVXIHCAHVKE-KFWWJZLASA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(CCN2C(=O)CN(C)C2=O)CC1 ZINC000659876360 418192191 /nfs/dbraw/zinc/19/21/91/418192191.db2.gz GVAXXLNVHMHQNT-UHFFFAOYSA-N 1 3 310.442 0.933 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(CCN2C(=O)CN(C)C2=O)CC1 ZINC000659876360 418192194 /nfs/dbraw/zinc/19/21/94/418192194.db2.gz GVAXXLNVHMHQNT-UHFFFAOYSA-N 1 3 310.442 0.933 20 0 DCADHO CO[C@@H](C[NH+]1CCC(N(C)CCCO)CC1)[C@@H]1CCOC1 ZINC000659932002 418204105 /nfs/dbraw/zinc/20/41/05/418204105.db2.gz XEBMHBJJMSIOBK-ZBFHGGJFSA-N 1 3 300.443 0.817 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000649288804 418224971 /nfs/dbraw/zinc/22/49/71/418224971.db2.gz KYNWFFAGJCXFHT-BMFZPTHFSA-N 1 3 303.406 0.994 20 0 DCADHO CN(C)[C@]1(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000649296554 418226358 /nfs/dbraw/zinc/22/63/58/418226358.db2.gz QWHCKJGFVAZUBA-PWSUYJOCSA-N 1 3 307.410 0.785 20 0 DCADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655962937 418307648 /nfs/dbraw/zinc/30/76/48/418307648.db2.gz JDPLELJFSDLXFK-UHOFOFEASA-N 1 3 318.421 0.667 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656020948 418318483 /nfs/dbraw/zinc/31/84/83/418318483.db2.gz YQMYPAZXZNZWQG-KFWWJZLASA-N 1 3 322.453 0.235 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000656068421 418323363 /nfs/dbraw/zinc/32/33/63/418323363.db2.gz XUWLURLDNJEEBD-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655416247 418260451 /nfs/dbraw/zinc/26/04/51/418260451.db2.gz MUUYVKKXRMPQAV-PBHICJAKSA-N 1 3 315.421 0.819 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449985 418263654 /nfs/dbraw/zinc/26/36/54/418263654.db2.gz YHBMGCWUYNMLTH-WBVHZDCISA-N 1 3 308.470 0.520 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660585669 418271954 /nfs/dbraw/zinc/27/19/54/418271954.db2.gz SJENHFZDEGDKTA-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000656273031 418339036 /nfs/dbraw/zinc/33/90/36/418339036.db2.gz PANNCZSXXRCWNB-DLBZAZTESA-N 1 3 319.449 0.878 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656304356 418343261 /nfs/dbraw/zinc/34/32/61/418343261.db2.gz XCALIBQXEBFDBV-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656304356 418343264 /nfs/dbraw/zinc/34/32/64/418343264.db2.gz XCALIBQXEBFDBV-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656316371 418345204 /nfs/dbraw/zinc/34/52/04/418345204.db2.gz RJFXPGHZYUJLLH-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO O=C([C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662248961 418393283 /nfs/dbraw/zinc/39/32/83/418393283.db2.gz MLBNPEJFKRLUEV-GJZGRUSLSA-N 1 3 323.437 0.078 20 0 DCADHO O=C([C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662248961 418393285 /nfs/dbraw/zinc/39/32/85/418393285.db2.gz MLBNPEJFKRLUEV-GJZGRUSLSA-N 1 3 323.437 0.078 20 0 DCADHO OCCN(CCN1CCOCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662261447 418393567 /nfs/dbraw/zinc/39/35/67/418393567.db2.gz YUGIYEQIEJZIRR-UHFFFAOYSA-N 1 3 319.449 0.459 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662402052 418407112 /nfs/dbraw/zinc/40/71/12/418407112.db2.gz GDCXECBHYQOEJA-LBPRGKRZSA-N 1 3 308.430 0.477 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662407091 418407909 /nfs/dbraw/zinc/40/79/09/418407909.db2.gz RMNQALKFHITDJY-XQQFMLRXSA-N 1 3 308.430 0.333 20 0 DCADHO COCCN(C)CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662439982 418410103 /nfs/dbraw/zinc/41/01/03/418410103.db2.gz USYGGINLHBGKHL-UHFFFAOYSA-N 1 3 310.398 0.450 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000187257734 261122512 /nfs/dbraw/zinc/12/25/12/261122512.db2.gz VQLMZMBLOSUZCR-HNNXBMFYSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000187257734 261122514 /nfs/dbraw/zinc/12/25/14/261122514.db2.gz VQLMZMBLOSUZCR-HNNXBMFYSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000187268398 261122901 /nfs/dbraw/zinc/12/29/01/261122901.db2.gz APRNJFROGLXVAB-CQSZACIVSA-N 1 3 300.447 0.474 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000187268398 261122904 /nfs/dbraw/zinc/12/29/04/261122904.db2.gz APRNJFROGLXVAB-CQSZACIVSA-N 1 3 300.447 0.474 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000237028379 261156668 /nfs/dbraw/zinc/15/66/68/261156668.db2.gz AFOLIVBIXALBNH-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354660343 261252412 /nfs/dbraw/zinc/25/24/12/261252412.db2.gz LCXKLFDNHQJJJA-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354692813 261260828 /nfs/dbraw/zinc/26/08/28/261260828.db2.gz NXDFGOWCXQNRTM-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000355328326 261331842 /nfs/dbraw/zinc/33/18/42/261331842.db2.gz YYVXCMDCUAZLAA-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)CN(C)C)C1 ZINC000358501806 261674750 /nfs/dbraw/zinc/67/47/50/261674750.db2.gz OJJYFLZMGTUEEH-RBSFLKMASA-N 1 3 312.458 0.831 20 0 DCADHO CN1CCN(CC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)CC1 ZINC000362910889 262086389 /nfs/dbraw/zinc/08/63/89/262086389.db2.gz OHSCLUIBQWESHM-SNAWJCMRSA-N 1 3 308.470 0.590 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CC1 ZINC000362971326 262091038 /nfs/dbraw/zinc/09/10/38/262091038.db2.gz SJPMSYQSBIMHMM-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CC1 ZINC000362971326 262091040 /nfs/dbraw/zinc/09/10/40/262091040.db2.gz SJPMSYQSBIMHMM-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO CCN1CCC(NC(=O)C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000411787139 262175949 /nfs/dbraw/zinc/17/59/49/262175949.db2.gz KLJOKVPDKGKLBO-SJLPKXTDSA-N 1 3 323.481 0.974 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC000416979901 262243471 /nfs/dbraw/zinc/24/34/71/262243471.db2.gz SRPCHKVDNPDBKL-KBPBESRZSA-N 1 3 311.474 0.404 20 0 DCADHO CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000417041779 262244255 /nfs/dbraw/zinc/24/42/55/262244255.db2.gz YYQVFGYVIWIDCV-HNNXBMFYSA-N 1 3 312.458 0.786 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417296726 262249282 /nfs/dbraw/zinc/24/92/82/262249282.db2.gz MJONFMZMCGCQHA-DZGCQCFKSA-N 1 3 312.458 0.914 20 0 DCADHO CCC[NH2+]CCNC(=O)NC1CCN(CCCOC)CC1 ZINC000417439441 262252318 /nfs/dbraw/zinc/25/23/18/262252318.db2.gz LRFXXDAAOUNYAJ-UHFFFAOYSA-N 1 3 300.447 0.786 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417584651 262255650 /nfs/dbraw/zinc/25/56/50/262255650.db2.gz NKVHMERGIHZPFV-GOEBONIOSA-N 1 3 312.458 0.929 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000417744014 262259972 /nfs/dbraw/zinc/25/99/72/262259972.db2.gz CJKHOBGANKFSGX-NFOMZHRRSA-N 1 3 311.474 0.391 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000417748899 262260323 /nfs/dbraw/zinc/26/03/23/262260323.db2.gz IVNQNTFCJWFITB-ZDUSSCGKSA-N 1 3 300.447 0.724 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417752679 262260644 /nfs/dbraw/zinc/26/06/44/262260644.db2.gz MXRYROSBOBNSDU-AWEZNQCLSA-N 1 3 300.447 0.771 20 0 DCADHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000417754568 262260886 /nfs/dbraw/zinc/26/08/86/262260886.db2.gz PVORQWPANXVUTM-RRFJBIMHSA-N 1 3 312.458 0.724 20 0 DCADHO COCC1(CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)CC[NH2+]CC1 ZINC000418005638 262267619 /nfs/dbraw/zinc/26/76/19/262267619.db2.gz PFQFPQLCHZTIAC-KGLIPLIRSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NC2(C)CC[NH2+]CC2)CCCO1 ZINC000418110762 262270254 /nfs/dbraw/zinc/27/02/54/262270254.db2.gz FXYXBSPVISVVCT-CQSZACIVSA-N 1 3 312.458 0.929 20 0 DCADHO C[NH2+]CCNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418322811 262274605 /nfs/dbraw/zinc/27/46/05/262274605.db2.gz FCVWWBMXILZAHN-KRWDZBQOSA-N 1 3 320.437 0.484 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCCN1CCO ZINC000418357412 262275472 /nfs/dbraw/zinc/27/54/72/262275472.db2.gz ZHIVJRMSQRYNEU-HUUCEWRRSA-N 1 3 312.458 0.522 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418515980 262280422 /nfs/dbraw/zinc/28/04/22/262280422.db2.gz BYUGYXXEQOTMTR-HNNXBMFYSA-N 1 3 313.490 0.783 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418516516 262280526 /nfs/dbraw/zinc/28/05/26/262280526.db2.gz SOFVJAVKNLAUPY-MGPQQGTHSA-N 1 3 312.458 0.864 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC(F)(F)CN ZINC000418526633 262281446 /nfs/dbraw/zinc/28/14/46/262281446.db2.gz RQRIDXXJPDMCBM-UHFFFAOYSA-N 1 3 321.416 0.248 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC(F)(F)CN ZINC000418526633 262281448 /nfs/dbraw/zinc/28/14/48/262281448.db2.gz RQRIDXXJPDMCBM-UHFFFAOYSA-N 1 3 321.416 0.248 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC(F)(F)CN ZINC000418526633 262281450 /nfs/dbraw/zinc/28/14/50/262281450.db2.gz RQRIDXXJPDMCBM-UHFFFAOYSA-N 1 3 321.416 0.248 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418692423 262286439 /nfs/dbraw/zinc/28/64/39/262286439.db2.gz IOAKGJMTKRNKIT-GJZGRUSLSA-N 1 3 314.474 0.896 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418829426 262292282 /nfs/dbraw/zinc/29/22/82/262292282.db2.gz IVQULSYBHNRRSU-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000418870101 262294178 /nfs/dbraw/zinc/29/41/78/262294178.db2.gz SXZLWPRHCMNWPQ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])c1ccccc1 ZINC000418863311 262294521 /nfs/dbraw/zinc/29/45/21/262294521.db2.gz PGZUTTLNLLCSRD-UKRRQHHQSA-N 1 3 320.437 0.649 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419019932 262305234 /nfs/dbraw/zinc/30/52/34/262305234.db2.gz FGSSDSCLSSHXHU-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419017408 262305487 /nfs/dbraw/zinc/30/54/87/262305487.db2.gz ATPAULXHFPYQME-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419019828 262305495 /nfs/dbraw/zinc/30/54/95/262305495.db2.gz DZIRGYNBPWJFTI-APIJFGDWSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000419017402 262305507 /nfs/dbraw/zinc/30/55/07/262305507.db2.gz ATPAULXHFPYQME-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419079673 262307346 /nfs/dbraw/zinc/30/73/46/262307346.db2.gz NFKOREINKIACIF-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)CCN)CC(C)C ZINC000419121366 262310493 /nfs/dbraw/zinc/31/04/93/262310493.db2.gz DISFUHPWRIJSGZ-ZDUSSCGKSA-N 1 3 300.447 0.276 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419125446 262310916 /nfs/dbraw/zinc/31/09/16/262310916.db2.gz TYSSDECHGNIGSB-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419124634 262311178 /nfs/dbraw/zinc/31/11/78/262311178.db2.gz RFBXNKCWDZCWKK-QLFBSQMISA-N 1 3 324.469 0.624 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419175991 262317709 /nfs/dbraw/zinc/31/77/09/262317709.db2.gz YLRLJLZMCDACPG-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419228307 262321138 /nfs/dbraw/zinc/32/11/38/262321138.db2.gz MCDYDNFGZYAWHG-LSDHHAIUSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419234216 262321969 /nfs/dbraw/zinc/32/19/69/262321969.db2.gz XFNMHKBXCGZYDS-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419284144 262324140 /nfs/dbraw/zinc/32/41/40/262324140.db2.gz KINPLBRQPSUOAU-KBPBESRZSA-N 1 3 312.458 0.278 20 0 DCADHO CN1CCN(C(=O)CC[N@H+](C)C(C)(C)CN2CCCC2)CC1 ZINC000419371717 262328101 /nfs/dbraw/zinc/32/81/01/262328101.db2.gz JMRAHTTWGQAYCZ-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+](C)C(C)(C)CN2CCCC2)CC1 ZINC000419371717 262328103 /nfs/dbraw/zinc/32/81/03/262328103.db2.gz JMRAHTTWGQAYCZ-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000419405998 262330555 /nfs/dbraw/zinc/33/05/55/262330555.db2.gz IJNOMYZXJLQYEO-CABCVRRESA-N 1 3 324.469 0.422 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419423367 262332385 /nfs/dbraw/zinc/33/23/85/262332385.db2.gz NGRWGSWMPPYTDB-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO C[N@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1CN)C1CCCCC1 ZINC000419419073 262332410 /nfs/dbraw/zinc/33/24/10/262332410.db2.gz YUTDPYFDLLJNIC-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1CN)C1CCCCC1 ZINC000419419073 262332412 /nfs/dbraw/zinc/33/24/12/262332412.db2.gz YUTDPYFDLLJNIC-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000419427654 262333124 /nfs/dbraw/zinc/33/31/24/262333124.db2.gz SDNJXLKZVGYNKK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419429002 262333169 /nfs/dbraw/zinc/33/31/69/262333169.db2.gz UGOBTAYODQWZAS-RHSMWYFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419427599 262333318 /nfs/dbraw/zinc/33/33/18/262333318.db2.gz RWGPKMPVSJUQDN-HIFRSBDPSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N(C)C1CC1 ZINC000419588575 262338785 /nfs/dbraw/zinc/33/87/85/262338785.db2.gz ONUSFXZUJZJGJP-OSRDXIQISA-N 1 3 322.453 0.171 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419592006 262338994 /nfs/dbraw/zinc/33/89/94/262338994.db2.gz RKHNRESCZZNCRV-RUXDESIVSA-N 1 3 310.442 0.363 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000419626970 262343249 /nfs/dbraw/zinc/34/32/49/262343249.db2.gz DERZOUOOFZCJRI-HNNXBMFYSA-N 1 3 318.421 0.314 20 0 DCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419694499 262346206 /nfs/dbraw/zinc/34/62/06/262346206.db2.gz JPHXUIONKJQHRF-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419694499 262346207 /nfs/dbraw/zinc/34/62/07/262346207.db2.gz JPHXUIONKJQHRF-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419694498 262346366 /nfs/dbraw/zinc/34/63/66/262346366.db2.gz JPHXUIONKJQHRF-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419694498 262346367 /nfs/dbraw/zinc/34/63/67/262346367.db2.gz JPHXUIONKJQHRF-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419700606 262347535 /nfs/dbraw/zinc/34/75/35/262347535.db2.gz XTKAOCJYGZWQEB-ZDUSSCGKSA-N 1 3 324.469 0.753 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419925861 262352876 /nfs/dbraw/zinc/35/28/76/262352876.db2.gz IXAYXCYXAASGBY-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419967455 262354817 /nfs/dbraw/zinc/35/48/17/262354817.db2.gz BDZGCUWVYOVBOX-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000419987656 262355509 /nfs/dbraw/zinc/35/55/09/262355509.db2.gz YOUUQYIUTMUPMF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419981080 262355698 /nfs/dbraw/zinc/35/56/98/262355698.db2.gz RQCSIVOLQFFWQW-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419991554 262356187 /nfs/dbraw/zinc/35/61/87/262356187.db2.gz GVPWRPMTFVBUKE-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420071344 262359140 /nfs/dbraw/zinc/35/91/40/262359140.db2.gz LCJAQRRSJTYBER-LSDHHAIUSA-N 1 3 324.469 0.561 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420073995 262359589 /nfs/dbraw/zinc/35/95/89/262359589.db2.gz PTHZBQNQLHVNJM-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420073995 262359590 /nfs/dbraw/zinc/35/95/90/262359590.db2.gz PTHZBQNQLHVNJM-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421233538 262392579 /nfs/dbraw/zinc/39/25/79/262392579.db2.gz BVPPTYMDVLJHAD-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421233538 262392580 /nfs/dbraw/zinc/39/25/80/262392580.db2.gz BVPPTYMDVLJHAD-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422114320 262396693 /nfs/dbraw/zinc/39/66/93/262396693.db2.gz LNCKHAUEHGCOQW-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422114320 262396694 /nfs/dbraw/zinc/39/66/94/262396694.db2.gz LNCKHAUEHGCOQW-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422114325 262396714 /nfs/dbraw/zinc/39/67/14/262396714.db2.gz LNCKHAUEHGCOQW-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422114325 262396715 /nfs/dbraw/zinc/39/67/15/262396715.db2.gz LNCKHAUEHGCOQW-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358497073 271053218 /nfs/dbraw/zinc/05/32/18/271053218.db2.gz ACGRRTJWSCVNNT-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418327200 271243080 /nfs/dbraw/zinc/24/30/80/271243080.db2.gz YZMNHVCRIIFVFE-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418721551 271251762 /nfs/dbraw/zinc/25/17/62/271251762.db2.gz MIWTWKFCDYEXKT-APIJFGDWSA-N 1 3 312.458 0.600 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000418952215 271262550 /nfs/dbraw/zinc/26/25/50/271262550.db2.gz VJLNPAYEBDNCEG-RDBSUJKOSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419031357 271267182 /nfs/dbraw/zinc/26/71/82/271267182.db2.gz VGXBUXNERFYMIV-ILXRZTDVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419028939 271267280 /nfs/dbraw/zinc/26/72/80/271267280.db2.gz RDXJMIPHUAEIJR-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419186338 271276650 /nfs/dbraw/zinc/27/66/50/271276650.db2.gz PWBSREQXRPCTDB-OCCSQVGLSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419186338 271276653 /nfs/dbraw/zinc/27/66/53/271276653.db2.gz PWBSREQXRPCTDB-OCCSQVGLSA-N 1 3 310.442 0.363 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CCC1 ZINC000419246765 271278439 /nfs/dbraw/zinc/27/84/39/271278439.db2.gz WLCDTDQWHPPTFA-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419265082 271279331 /nfs/dbraw/zinc/27/93/31/271279331.db2.gz CVCMZJTZVWZWLC-ZDUSSCGKSA-N 1 3 318.421 0.362 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419402649 271288565 /nfs/dbraw/zinc/28/85/65/271288565.db2.gz CRHBJAQEUAZZLS-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)N(C)C1CC1 ZINC000419577458 271309376 /nfs/dbraw/zinc/30/93/76/271309376.db2.gz DDGUURUAKVGARO-WFASDCNBSA-N 1 3 324.469 0.609 20 0 DCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCCN)C2)CC1 ZINC000419811517 271326110 /nfs/dbraw/zinc/32/61/10/271326110.db2.gz CXFCCOGCILOVRV-CQSZACIVSA-N 1 3 310.442 0.032 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419906815 271342833 /nfs/dbraw/zinc/34/28/33/271342833.db2.gz DCOKJMZWPIVNAR-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000420010472 271350352 /nfs/dbraw/zinc/35/03/52/271350352.db2.gz XPGZLZBZIDGZCU-GFCCVEGCSA-N 1 3 324.400 0.179 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1N(C)C ZINC000420171931 271361820 /nfs/dbraw/zinc/36/18/20/271361820.db2.gz UQFDGNAQHOZCHC-RDBSUJKOSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000460085285 272026236 /nfs/dbraw/zinc/02/62/36/272026236.db2.gz XUASLHHGQFDPMN-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)/C=C/C[NH+](C)C ZINC000491646368 272103605 /nfs/dbraw/zinc/10/36/05/272103605.db2.gz UFQLRUXIDJSQAF-CMDGGOBGSA-N 1 3 313.442 0.836 20 0 DCADHO CC(C)[C@H](CNC(=O)/C=C\C[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000491844074 272106819 /nfs/dbraw/zinc/10/68/19/272106819.db2.gz HNDAPSSVFKQVNW-ITMZSWQFSA-N 1 3 324.469 0.479 20 0 DCADHO CC(C)[C@H](CNC(=O)/C=C\CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000491844074 272106821 /nfs/dbraw/zinc/10/68/21/272106821.db2.gz HNDAPSSVFKQVNW-ITMZSWQFSA-N 1 3 324.469 0.479 20 0 DCADHO CN(C)C/C=C\C(=O)NC(C)(C)CCNC(=O)/C=C\C[NH+](C)C ZINC000493363945 272183699 /nfs/dbraw/zinc/18/36/99/272183699.db2.gz FRBZMRWDARQYOP-XOHWUJONSA-N 1 3 324.469 0.623 20 0 DCADHO CN(C)C/C=C\C(=O)NCCC(C)(C)NC(=O)/C=C\C[NH+](C)C ZINC000493363945 272183700 /nfs/dbraw/zinc/18/37/00/272183700.db2.gz FRBZMRWDARQYOP-XOHWUJONSA-N 1 3 324.469 0.623 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000531119339 287767797 /nfs/dbraw/zinc/76/77/97/287767797.db2.gz DASAIFPWDSNYRY-INIZCTEOSA-N 1 3 305.422 0.942 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC1 ZINC000424084141 276194242 /nfs/dbraw/zinc/19/42/42/276194242.db2.gz XKXIQNRSVFBPLG-MRXNPFEDSA-N 1 3 316.449 0.931 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCOCC1 ZINC000540713603 287905497 /nfs/dbraw/zinc/90/54/97/287905497.db2.gz ASPGKFWBXNIYRQ-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332213367 277219402 /nfs/dbraw/zinc/21/94/02/277219402.db2.gz KDWCZYZYRMMPCX-CWRNSKLLSA-N 1 3 324.469 0.866 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419433960 277570299 /nfs/dbraw/zinc/57/02/99/277570299.db2.gz ZUFWXMRTEIKKBL-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000364850515 277612303 /nfs/dbraw/zinc/61/23/03/277612303.db2.gz LWDQCCKMLIDJEM-HOTGVXAUSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000410473833 277662249 /nfs/dbraw/zinc/66/22/49/277662249.db2.gz WAHAMCWYSMNFEW-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000548001038 288100697 /nfs/dbraw/zinc/10/06/97/288100697.db2.gz GKWPFUSQVOYBHI-GJZGRUSLSA-N 1 3 314.474 0.672 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340485888 279191643 /nfs/dbraw/zinc/19/16/43/279191643.db2.gz RNALJMXBYQGJJH-DZGCQCFKSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340485888 279191644 /nfs/dbraw/zinc/19/16/44/279191644.db2.gz RNALJMXBYQGJJH-DZGCQCFKSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CN(CCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CCCO1 ZINC000423080711 288163773 /nfs/dbraw/zinc/16/37/73/288163773.db2.gz ZYQAOHQGBYOIGM-DJIMGWMZSA-N 1 3 311.470 0.844 20 0 DCADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCCC[C@@H]2CN)CCCC1 ZINC000418817798 282064206 /nfs/dbraw/zinc/06/42/06/282064206.db2.gz HVTGJNRPLTWYQP-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000563088466 288627361 /nfs/dbraw/zinc/62/73/61/288627361.db2.gz GFZWEWBNEOOMBE-INIZCTEOSA-N 1 3 300.406 0.410 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000563618885 288691720 /nfs/dbraw/zinc/69/17/20/288691720.db2.gz QOSIEVQHQCVCCW-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000564212201 288730959 /nfs/dbraw/zinc/73/09/59/288730959.db2.gz XOCJMAMMOUFSKG-MJBXVCDLSA-N 1 3 310.442 0.315 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000565471802 288854463 /nfs/dbraw/zinc/85/44/63/288854463.db2.gz NMAIPVAMJWAZDD-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cnn(C)c1 ZINC000565981703 288892209 /nfs/dbraw/zinc/89/22/09/288892209.db2.gz LDPCKDRCQIIQLX-UHFFFAOYSA-N 1 3 310.446 0.097 20 0 DCADHO CN(C)CCOCC[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000340367055 289170254 /nfs/dbraw/zinc/17/02/54/289170254.db2.gz SGPKOSLETULZNF-UHFFFAOYSA-N 1 3 306.472 0.758 20 0 DCADHO CN(C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)Cc1ccccc1 ZINC000349006912 289277314 /nfs/dbraw/zinc/27/73/14/289277314.db2.gz UHIGLSJTJMRWEZ-OAHLLOKOSA-N 1 3 305.422 0.654 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000300281312 293043868 /nfs/dbraw/zinc/04/38/68/293043868.db2.gz BWUHSIASULRJCJ-JJXSEGSLSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000300281312 293043871 /nfs/dbraw/zinc/04/38/71/293043871.db2.gz BWUHSIASULRJCJ-JJXSEGSLSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000300281312 293043873 /nfs/dbraw/zinc/04/38/73/293043873.db2.gz BWUHSIASULRJCJ-JJXSEGSLSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000300281312 293043875 /nfs/dbraw/zinc/04/38/75/293043875.db2.gz BWUHSIASULRJCJ-JJXSEGSLSA-N 1 3 300.443 0.815 20 0 DCADHO C[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000343634376 298052474 /nfs/dbraw/zinc/05/24/74/298052474.db2.gz WOWWOEUJGVMPGQ-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000415140492 303365879 /nfs/dbraw/zinc/36/58/79/303365879.db2.gz UBVDIRJSKDMMPG-HIFRSBDPSA-N 1 3 302.422 0.574 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332215149 303422700 /nfs/dbraw/zinc/42/27/00/303422700.db2.gz WGIGDXCWJPKSGZ-ZIAGYGMSSA-N 1 3 308.426 0.023 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000584277837 332181636 /nfs/dbraw/zinc/18/16/36/332181636.db2.gz LNIIZJCTQWOVRB-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000580308525 333090159 /nfs/dbraw/zinc/09/01/59/333090159.db2.gz JELFLLPGBUKSOW-IAGOWNOFSA-N 1 3 319.449 0.765 20 0 DCADHO CSCC[C@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000571282897 333696675 /nfs/dbraw/zinc/69/66/75/333696675.db2.gz WQYHDXXBDFAEAG-LBPRGKRZSA-N 1 3 309.439 0.510 20 0 DCADHO CC[NH+]1CCN([C@@H](C)CNC(=O)CN2CCC(C)(C)C2)CC1 ZINC000583639706 336007406 /nfs/dbraw/zinc/00/74/06/336007406.db2.gz PCJRQPCNNSDHFI-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000583080984 337236927 /nfs/dbraw/zinc/23/69/27/337236927.db2.gz AHLAHMHRWKJMNQ-ZQIUZPCESA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000583263586 337292914 /nfs/dbraw/zinc/29/29/14/337292914.db2.gz KVRQSQDEFUIUCP-MJBXVCDLSA-N 1 3 312.458 0.465 20 0 DCADHO COC[C@]1(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[NH2+]C1 ZINC000580432221 337674270 /nfs/dbraw/zinc/67/42/70/337674270.db2.gz NCSBVBNSUXUZHJ-LXZKKBNFSA-N 1 3 321.396 0.705 20 0 DCADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001568963595 1160900565 /nfs/dbraw/zinc/90/05/65/1160900565.db2.gz DMAQPLMDNKXPAP-ISUDXETCSA-N 1 3 323.359 0.658 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000364118459 520695985 /nfs/dbraw/zinc/69/59/85/520695985.db2.gz GOHWXNPLUDTESV-BFHYXJOUSA-N 1 3 301.406 0.646 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365003971 521007364 /nfs/dbraw/zinc/00/73/64/521007364.db2.gz XZDAMVNMMFAHCV-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CCN(C)CC2)CC1 ZINC000109164659 521018215 /nfs/dbraw/zinc/01/82/15/521018215.db2.gz YXZBFWIYMVTTBF-HNNXBMFYSA-N 1 3 312.458 0.473 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[C@@H](C)[NH3+])CC1=O ZINC000247452155 521633428 /nfs/dbraw/zinc/63/34/28/521633428.db2.gz ZVJFBYHYJCHMEU-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CCOC(=O)CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000420328134 535647539 /nfs/dbraw/zinc/64/75/39/535647539.db2.gz ZLMIVQHIZCHZFG-KBPBESRZSA-N 1 3 311.426 0.520 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000423130335 536093748 /nfs/dbraw/zinc/09/37/48/536093748.db2.gz RUVORXXEVJUVHJ-MJBXVCDLSA-N 1 3 318.487 0.364 20 0 DCADHO CN(C)CCN(C)c1cc(N(C)CC[NH+](C)C)n2ncnc2n1 ZINC000192642948 545928249 /nfs/dbraw/zinc/92/82/49/545928249.db2.gz WGOQAHOONJPGEA-UHFFFAOYSA-N 1 3 320.445 0.120 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333830933 546092914 /nfs/dbraw/zinc/09/29/14/546092914.db2.gz MNJVOWAEVYIDOY-ILXRZTDVSA-N 1 3 311.474 0.452 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000342997632 546128510 /nfs/dbraw/zinc/12/85/10/546128510.db2.gz WUBANYARGZMCKC-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)[C@]1(CNC(=O)[C@]2(C[NH3+])CCCOC2)CCSC1 ZINC000638069707 546336804 /nfs/dbraw/zinc/33/68/04/546336804.db2.gz SLYOKPUCSKRABM-KBPBESRZSA-N 1 3 301.456 0.295 20 0 DCADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285286 546375916 /nfs/dbraw/zinc/37/59/16/546375916.db2.gz ITBWQERKRXWISC-GWCFXTLKSA-N 1 3 321.343 0.508 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cnccn1 ZINC000665758620 546393632 /nfs/dbraw/zinc/39/36/32/546393632.db2.gz KXYMXFAHEOFVGM-AWEZNQCLSA-N 1 3 322.457 0.890 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cnccn1 ZINC000665758620 546393636 /nfs/dbraw/zinc/39/36/36/546393636.db2.gz KXYMXFAHEOFVGM-AWEZNQCLSA-N 1 3 322.457 0.890 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](CF)C1 ZINC000665763880 546397034 /nfs/dbraw/zinc/39/70/34/546397034.db2.gz NUSIEEFRIFPZFS-UONOGXRCSA-N 1 3 318.437 0.638 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](CF)C1 ZINC000665763880 546397039 /nfs/dbraw/zinc/39/70/39/546397039.db2.gz NUSIEEFRIFPZFS-UONOGXRCSA-N 1 3 318.437 0.638 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2cncc2C1 ZINC000665762921 546397624 /nfs/dbraw/zinc/39/76/24/546397624.db2.gz UQKOWDAHAXNCFU-AWEZNQCLSA-N 1 3 322.457 0.680 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2cncc2C1 ZINC000665762921 546397628 /nfs/dbraw/zinc/39/76/28/546397628.db2.gz UQKOWDAHAXNCFU-AWEZNQCLSA-N 1 3 322.457 0.680 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCc3ccc(O)cc3CC2)C1 ZINC000666689597 546497849 /nfs/dbraw/zinc/49/78/49/546497849.db2.gz OEYOIVUSEIEUOL-AWEZNQCLSA-N 1 3 317.433 0.990 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCc3ccc(O)cc3CC2)C1 ZINC000666689597 546497854 /nfs/dbraw/zinc/49/78/54/546497854.db2.gz OEYOIVUSEIEUOL-AWEZNQCLSA-N 1 3 317.433 0.990 20 0 DCADHO CN(C)C1(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000667641152 546631434 /nfs/dbraw/zinc/63/14/34/546631434.db2.gz JCZSYHWWBVETDS-UHFFFAOYSA-N 1 3 308.470 0.755 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000668549378 546782316 /nfs/dbraw/zinc/78/23/16/546782316.db2.gz XJOSAMXUSVPYFD-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000668549378 546782319 /nfs/dbraw/zinc/78/23/19/546782319.db2.gz XJOSAMXUSVPYFD-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000668616957 546802719 /nfs/dbraw/zinc/80/27/19/546802719.db2.gz IDRVDJNWFWNAFE-OAHLLOKOSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000668616957 546802721 /nfs/dbraw/zinc/80/27/21/546802721.db2.gz IDRVDJNWFWNAFE-OAHLLOKOSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000668616957 546802723 /nfs/dbraw/zinc/80/27/23/546802723.db2.gz IDRVDJNWFWNAFE-OAHLLOKOSA-N 1 3 308.470 0.708 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(CCC)C1 ZINC000668731584 546836414 /nfs/dbraw/zinc/83/64/14/546836414.db2.gz KPPVURJJWPWBIQ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(CCC)C1 ZINC000668731584 546836419 /nfs/dbraw/zinc/83/64/19/546836419.db2.gz KPPVURJJWPWBIQ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC[N@@H+]1C ZINC000668894122 546873755 /nfs/dbraw/zinc/87/37/55/546873755.db2.gz VQRJCMRHNLWAMQ-MCIONIFRSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC[N@H+]1C ZINC000668894122 546873758 /nfs/dbraw/zinc/87/37/58/546873758.db2.gz VQRJCMRHNLWAMQ-MCIONIFRSA-N 1 3 324.469 0.574 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)NC/C=C\C[NH3+])cc1 ZINC000669462391 546973227 /nfs/dbraw/zinc/97/32/27/546973227.db2.gz OZOLJZBHKUFFBL-ARJAWSKDSA-N 1 3 320.437 0.984 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CCN1 ZINC000669514701 546982665 /nfs/dbraw/zinc/98/26/65/546982665.db2.gz AJFDYKCINPMKJR-HUUCEWRRSA-N 1 3 305.426 0.878 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCSC1 ZINC000669514908 546983547 /nfs/dbraw/zinc/98/35/47/546983547.db2.gz REWBVADWCLRLCB-TZMCWYRMSA-N 1 3 300.472 0.865 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@]2(N(C)C)CCSC2)CCO1 ZINC000669514954 546983947 /nfs/dbraw/zinc/98/39/47/546983947.db2.gz VHSGZPJOORQYSI-SGMGOOAPSA-N 1 3 316.471 0.181 20 0 DCADHO COCC1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000669529398 546985862 /nfs/dbraw/zinc/98/58/62/546985862.db2.gz OYHUJZRAGKPCFL-DZGCQCFKSA-N 1 3 324.469 0.785 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2CCCC[NH2+]2)CCCO1 ZINC000669570977 546992738 /nfs/dbraw/zinc/99/27/38/546992738.db2.gz HCGOKBBAJQXNOG-LSDHHAIUSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCCO1 ZINC000669570934 546993100 /nfs/dbraw/zinc/99/31/00/546993100.db2.gz UNFKYPHERNVPGA-FXUDXRNXSA-N 1 3 324.469 0.866 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000672981550 547430913 /nfs/dbraw/zinc/43/09/13/547430913.db2.gz MOIDCHXMECWUEH-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000673868781 547532058 /nfs/dbraw/zinc/53/20/58/547532058.db2.gz DUPFTXHSNSIMFJ-ZDUSSCGKSA-N 1 3 308.430 0.908 20 0 DCADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000673868781 547532063 /nfs/dbraw/zinc/53/20/63/547532063.db2.gz DUPFTXHSNSIMFJ-ZDUSSCGKSA-N 1 3 308.430 0.908 20 0 DCADHO CC(C)N1CCN(C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000677713444 547898280 /nfs/dbraw/zinc/89/82/80/547898280.db2.gz GCGAFAWHZMAERW-INIZCTEOSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N1CCN(C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000677713444 547898282 /nfs/dbraw/zinc/89/82/82/547898282.db2.gz GCGAFAWHZMAERW-INIZCTEOSA-N 1 3 322.497 0.955 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C1 ZINC000683851707 548524293 /nfs/dbraw/zinc/52/42/93/548524293.db2.gz SCGHUKKAXHNGKG-DLBZAZTESA-N 1 3 320.481 0.852 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C1 ZINC000683851707 548524299 /nfs/dbraw/zinc/52/42/99/548524299.db2.gz SCGHUKKAXHNGKG-DLBZAZTESA-N 1 3 320.481 0.852 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C3CC3)C2)CC1 ZINC000683851397 548525233 /nfs/dbraw/zinc/52/52/33/548525233.db2.gz USKBEZAKSIYXCX-WMLDXEAASA-N 1 3 320.481 0.898 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C3CC3)C2)CC1 ZINC000683851397 548525237 /nfs/dbraw/zinc/52/52/37/548525237.db2.gz USKBEZAKSIYXCX-WMLDXEAASA-N 1 3 320.481 0.898 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CCCN3C3CC3)C2)CC1 ZINC000683851397 548525240 /nfs/dbraw/zinc/52/52/40/548525240.db2.gz USKBEZAKSIYXCX-WMLDXEAASA-N 1 3 320.481 0.898 20 0 DCADHO CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552833 660558716 /nfs/dbraw/zinc/55/87/16/660558716.db2.gz GCYCTVQPFIIRSJ-UEIJKTBSSA-N 1 3 319.449 0.552 20 0 DCADHO CC(C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552833 660558717 /nfs/dbraw/zinc/55/87/17/660558717.db2.gz GCYCTVQPFIIRSJ-UEIJKTBSSA-N 1 3 319.449 0.552 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000925771458 660906386 /nfs/dbraw/zinc/90/63/86/660906386.db2.gz YRYZSOSCFVYPJA-ZACQAIPSSA-N 1 3 310.486 0.371 20 0 DCADHO Cn1cc(CC[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC000980405202 660932445 /nfs/dbraw/zinc/93/24/45/660932445.db2.gz HLVKCJGVWHULBM-INIZCTEOSA-N 1 3 319.453 0.591 20 0 DCADHO Cn1cc(CC[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC000980405202 660932448 /nfs/dbraw/zinc/93/24/48/660932448.db2.gz HLVKCJGVWHULBM-INIZCTEOSA-N 1 3 319.453 0.591 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccnn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000980704172 660987997 /nfs/dbraw/zinc/98/79/97/660987997.db2.gz LOBBCQGGQYGHTI-STQMWFEESA-N 1 3 316.409 0.713 20 0 DCADHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000925777888 660990878 /nfs/dbraw/zinc/99/08/78/660990878.db2.gz HWJFBGOOTYQRSH-AAVRWANBSA-N 1 3 303.397 0.978 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1)N1CCCC1 ZINC000981272598 661122810 /nfs/dbraw/zinc/12/28/10/661122810.db2.gz RPCLAJNGXQQDEI-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC000998533998 665475572 /nfs/dbraw/zinc/47/55/72/665475572.db2.gz APGWVJIKXOGHJM-YMAMQOFZSA-N 1 3 322.453 0.282 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H]1CCCN1CCOC ZINC000891536016 657464963 /nfs/dbraw/zinc/46/49/63/657464963.db2.gz AEZIUBZWFIWMAY-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891538201 657466020 /nfs/dbraw/zinc/46/60/20/657466020.db2.gz SWVFIRVVTDDUNK-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000891574820 657491408 /nfs/dbraw/zinc/49/14/08/657491408.db2.gz BURQOOFNXXNUNF-XGUBFFRZSA-N 1 3 310.442 0.537 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891580068 657498982 /nfs/dbraw/zinc/49/89/82/657498982.db2.gz UAENXEQGYHRKCO-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H](CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)CN1CCN(C)CC1 ZINC000891601995 657516382 /nfs/dbraw/zinc/51/63/82/657516382.db2.gz JOIJVZNXSQVFST-INMHGKMJSA-N 1 3 323.485 0.454 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406456 657527453 /nfs/dbraw/zinc/52/74/53/657527453.db2.gz VOZFMAYILDZAIA-WHJSIAKGSA-N 1 3 305.422 0.496 20 0 DCADHO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000998721504 665512232 /nfs/dbraw/zinc/51/22/32/665512232.db2.gz MMXYJSWAEJGSCE-GJZGRUSLSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926324149 658045523 /nfs/dbraw/zinc/04/55/23/658045523.db2.gz SBYWGJDEDKWWSJ-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCN(C)C3=O)C2)CC[N@@H+]1C ZINC000969723395 658106758 /nfs/dbraw/zinc/10/67/58/658106758.db2.gz XYENJVHWZDSYHQ-BYNSBNAKSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC000969723395 658106765 /nfs/dbraw/zinc/10/67/65/658106765.db2.gz XYENJVHWZDSYHQ-BYNSBNAKSA-N 1 3 322.453 0.138 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CCCCCNC(=O)CC2)CC1 ZINC000934153748 658127450 /nfs/dbraw/zinc/12/74/50/658127450.db2.gz NHZITSMBEGFZFQ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)C1 ZINC001020588904 658159347 /nfs/dbraw/zinc/15/93/47/658159347.db2.gz PYYHVRLKNYEUTD-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCOC3)C2)C1 ZINC001020589170 658161306 /nfs/dbraw/zinc/16/13/06/658161306.db2.gz YIJLFCLJSOHOPC-VGWMRTNUSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020590455 658165705 /nfs/dbraw/zinc/16/57/05/658165705.db2.gz XCEVYCCQWJTJJO-FBUXBERBSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020590455 658165711 /nfs/dbraw/zinc/16/57/11/658165711.db2.gz XCEVYCCQWJTJJO-FBUXBERBSA-N 1 3 306.410 0.918 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001020590443 658166310 /nfs/dbraw/zinc/16/63/10/658166310.db2.gz WTDHCXARIJEQLB-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[C@H]1C[NH3+] ZINC000926344997 658167552 /nfs/dbraw/zinc/16/75/52/658167552.db2.gz BCXIMZVWGZYNFJ-XQLPTFJDSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001020591565 658173268 /nfs/dbraw/zinc/17/32/68/658173268.db2.gz RIHGYFXBZBBIMA-BHPKHCPMSA-N 1 3 305.426 0.355 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001020591565 658173272 /nfs/dbraw/zinc/17/32/72/658173272.db2.gz RIHGYFXBZBBIMA-BHPKHCPMSA-N 1 3 305.426 0.355 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CCCO)CC[C@@H]21 ZINC001021679857 658213253 /nfs/dbraw/zinc/21/32/53/658213253.db2.gz SSYBAMGDDJWYAW-HIFRSBDPSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CCCO)CC[C@@H]21 ZINC001021679857 658213257 /nfs/dbraw/zinc/21/32/57/658213257.db2.gz SSYBAMGDDJWYAW-HIFRSBDPSA-N 1 3 306.410 0.648 20 0 DCADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998995974 665559528 /nfs/dbraw/zinc/55/95/28/665559528.db2.gz XHKVVUOHTMWYTC-GPANFISMSA-N 1 3 319.453 0.983 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)NC[C@@H]1C[NH2+]CCCO1 ZINC000892170395 658260474 /nfs/dbraw/zinc/26/04/74/658260474.db2.gz UOQPIAJPAWVOIG-CVEARBPZSA-N 1 3 318.421 0.379 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC000969949651 658284641 /nfs/dbraw/zinc/28/46/41/658284641.db2.gz WQKDQYYJFKSOLZ-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC000969949651 658284650 /nfs/dbraw/zinc/28/46/50/658284650.db2.gz WQKDQYYJFKSOLZ-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000969955049 658289537 /nfs/dbraw/zinc/28/95/37/658289537.db2.gz LGHSFKHSMNNKKQ-XJKSGUPXSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000969955049 658289549 /nfs/dbraw/zinc/28/95/49/658289549.db2.gz LGHSFKHSMNNKKQ-XJKSGUPXSA-N 1 3 319.453 0.761 20 0 DCADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CC2CC2)C1 ZINC000999142522 665585062 /nfs/dbraw/zinc/58/50/62/665585062.db2.gz CNGDRZKNLLYZTF-QFQXCOSMSA-N 1 3 319.449 0.839 20 0 DCADHO C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972332348 658577765 /nfs/dbraw/zinc/57/77/65/658577765.db2.gz BSLUDHUKFWRNAG-CJNGLKHVSA-N 1 3 315.433 0.724 20 0 DCADHO C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972332348 658577773 /nfs/dbraw/zinc/57/77/73/658577773.db2.gz BSLUDHUKFWRNAG-CJNGLKHVSA-N 1 3 315.433 0.724 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+](C)C)C1=O ZINC000924434401 658580277 /nfs/dbraw/zinc/58/02/77/658580277.db2.gz JHEABGCDSWXODX-ZIAGYGMSSA-N 1 3 304.394 0.771 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001020928489 658589368 /nfs/dbraw/zinc/58/93/68/658589368.db2.gz GDODJYWGPJRJTG-RBSFLKMASA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001020928489 658589375 /nfs/dbraw/zinc/58/93/75/658589375.db2.gz GDODJYWGPJRJTG-RBSFLKMASA-N 1 3 317.437 0.864 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001022806798 658600505 /nfs/dbraw/zinc/60/05/05/658600505.db2.gz APTFNTNMPZQQRX-FQUUOJAGSA-N 1 3 310.442 0.360 20 0 DCADHO COCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438925 658623562 /nfs/dbraw/zinc/62/35/62/658623562.db2.gz ZVEBWZWIRCOZBD-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC000999190354 665596453 /nfs/dbraw/zinc/59/64/53/665596453.db2.gz QHARJOSKYBNHNS-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC000999190354 665596455 /nfs/dbraw/zinc/59/64/55/665596455.db2.gz QHARJOSKYBNHNS-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970171343 658689374 /nfs/dbraw/zinc/68/93/74/658689374.db2.gz YTMGWDSTBPLVGE-GEMJLEDKSA-N 1 3 321.465 0.942 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001021049172 658728486 /nfs/dbraw/zinc/72/84/86/658728486.db2.gz JCVZXHYJFXPYFN-RBSFLKMASA-N 1 3 303.410 0.474 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001021049172 658728488 /nfs/dbraw/zinc/72/84/88/658728488.db2.gz JCVZXHYJFXPYFN-RBSFLKMASA-N 1 3 303.410 0.474 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022068958 658826239 /nfs/dbraw/zinc/82/62/39/658826239.db2.gz DIAWGPMUXUHWPJ-ZNMIVQPWSA-N 1 3 320.441 0.388 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001022103709 658865029 /nfs/dbraw/zinc/86/50/29/658865029.db2.gz LULBBTAEGGPXAE-HGTKMLMNSA-N 1 3 317.437 0.862 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001022103709 658865032 /nfs/dbraw/zinc/86/50/32/658865032.db2.gz LULBBTAEGGPXAE-HGTKMLMNSA-N 1 3 317.437 0.862 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC000970337318 658868904 /nfs/dbraw/zinc/86/89/04/658868904.db2.gz NQQNCOAUHWGCFL-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC000970337330 658869100 /nfs/dbraw/zinc/86/91/00/658869100.db2.gz NVVQJJGPROMHBP-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000924465126 658922975 /nfs/dbraw/zinc/92/29/75/658922975.db2.gz RGUONPWTSYTRLN-UONOGXRCSA-N 1 3 324.425 0.112 20 0 DCADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027215641 659084674 /nfs/dbraw/zinc/08/46/74/659084674.db2.gz KSHDXLAWJLUFHE-KGLIPLIRSA-N 1 3 320.441 0.188 20 0 DCADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027215641 659084681 /nfs/dbraw/zinc/08/46/81/659084681.db2.gz KSHDXLAWJLUFHE-KGLIPLIRSA-N 1 3 320.441 0.188 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC001027215010 659086051 /nfs/dbraw/zinc/08/60/51/659086051.db2.gz BDQSJJVCDBMCHD-HUUCEWRRSA-N 1 3 319.453 0.618 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001027215010 659086054 /nfs/dbraw/zinc/08/60/54/659086054.db2.gz BDQSJJVCDBMCHD-HUUCEWRRSA-N 1 3 319.453 0.618 20 0 DCADHO Cc1ncoc1CNC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027216420 659088357 /nfs/dbraw/zinc/08/83/57/659088357.db2.gz UBEWTYOLHUYFRP-KGLIPLIRSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncoc1CNC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027216420 659088355 /nfs/dbraw/zinc/08/83/55/659088355.db2.gz UBEWTYOLHUYFRP-KGLIPLIRSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1cnc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001027217704 659089860 /nfs/dbraw/zinc/08/98/60/659089860.db2.gz OUXZOJBOUNLPEZ-HNNXBMFYSA-N 1 3 317.437 0.819 20 0 DCADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC000999409118 665642320 /nfs/dbraw/zinc/64/23/20/665642320.db2.gz OOUGXFIBRSXSLF-RUXDESIVSA-N 1 3 324.469 0.561 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@@H]3C2)C1 ZINC001026361178 659240258 /nfs/dbraw/zinc/24/02/58/659240258.db2.gz PCYJOYOCDJZKBI-ZNMIVQPWSA-N 1 3 309.454 0.537 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000925581301 659286589 /nfs/dbraw/zinc/28/65/89/659286589.db2.gz ROEKHRGHMDBAGS-RISCZKNCSA-N 1 3 301.456 0.673 20 0 DCADHO O=C(NCC1C[NH+](CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031857537 665661566 /nfs/dbraw/zinc/66/15/66/665661566.db2.gz XWJOCLZGEUQSJA-HQVVEAJESA-N 1 3 319.449 0.698 20 0 DCADHO CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892818159 659470607 /nfs/dbraw/zinc/47/06/07/659470607.db2.gz JDDBHHAWUFWEJC-CABCVRRESA-N 1 3 312.458 0.927 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026733182 659490078 /nfs/dbraw/zinc/49/00/78/659490078.db2.gz ITOJELMNGKEOCP-HOCLYGCPSA-N 1 3 319.453 0.761 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1)C1CCC1 ZINC001026891433 659626001 /nfs/dbraw/zinc/62/60/01/659626001.db2.gz UWQGHWDSYCTBEM-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cnnc1CNC[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001026887159 659627814 /nfs/dbraw/zinc/62/78/14/659627814.db2.gz LXWZVXZAFLABLQ-DOMZBBRYSA-N 1 3 320.441 0.093 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC000999834162 665695978 /nfs/dbraw/zinc/69/59/78/665695978.db2.gz SZJDECUJGXBUIC-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCn2cccn2)C1 ZINC000999834788 665696346 /nfs/dbraw/zinc/69/63/46/665696346.db2.gz WIMFTOJIOZTVTK-UHFFFAOYSA-N 1 3 305.426 0.558 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027035236 659725313 /nfs/dbraw/zinc/72/53/13/659725313.db2.gz AKLQNSWFSIOZQD-CQSZACIVSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001027062730 659758889 /nfs/dbraw/zinc/75/88/89/659758889.db2.gz ATNLWHWSDNWJBS-CHWSQXEVSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001027062730 659758892 /nfs/dbraw/zinc/75/88/92/659758892.db2.gz ATNLWHWSDNWJBS-CHWSQXEVSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001027063417 659759533 /nfs/dbraw/zinc/75/95/33/659759533.db2.gz KXYOEZIWVBVJFL-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001027064159 659761501 /nfs/dbraw/zinc/76/15/01/659761501.db2.gz YIMWDYVEXHRYSO-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3ccn(C)n3)C2)C1 ZINC001027064367 659762550 /nfs/dbraw/zinc/76/25/50/659762550.db2.gz CLEYSANKGXZLQF-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3ccn(C)n3)C2)C1 ZINC001027064367 659762551 /nfs/dbraw/zinc/76/25/51/659762551.db2.gz CLEYSANKGXZLQF-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001027064671 659762765 /nfs/dbraw/zinc/76/27/65/659762765.db2.gz IVKRPLNNKHZXIY-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894175300 661643151 /nfs/dbraw/zinc/64/31/51/661643151.db2.gz GAXXVTPPUFIALX-JHJVBQTASA-N 1 3 319.396 0.656 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CN2C[C@@H]1CCC2 ZINC000924902214 661686957 /nfs/dbraw/zinc/68/69/57/661686957.db2.gz NKTLXZBFAMVWRH-ARFHVFGLSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698870 661765224 /nfs/dbraw/zinc/76/52/24/661765224.db2.gz RDWAAOACKOHVKE-HCEZTOJASA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698870 661765227 /nfs/dbraw/zinc/76/52/27/661765227.db2.gz RDWAAOACKOHVKE-HCEZTOJASA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261999824 661951722 /nfs/dbraw/zinc/95/17/22/661951722.db2.gz NIFMVDFVWLTNBR-NXEZZACHSA-N 1 3 310.364 0.312 20 0 DCADHO CN1CCC(NC(=S)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000748603486 662017519 /nfs/dbraw/zinc/01/75/19/662017519.db2.gz WEFORRWTBUYDRA-CQSZACIVSA-N 1 3 316.540 0.982 20 0 DCADHO C[C@H](CC[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)N(C)C ZINC000895428468 662183832 /nfs/dbraw/zinc/18/38/32/662183832.db2.gz GXROFEBALYXTPC-CHWSQXEVSA-N 1 3 305.488 0.976 20 0 DCADHO COc1cnc(NC[C@H]2CC[N@@H+]2C)nc1NC[C@@H]1CCN1C ZINC000895770562 662214166 /nfs/dbraw/zinc/21/41/66/662214166.db2.gz PVWZVDOVUMHFRU-NWDGAFQWSA-N 1 3 306.414 0.717 20 0 DCADHO COc1cnc(NC[C@H]2CC[N@H+]2C)nc1NC[C@@H]1CCN1C ZINC000895770562 662214167 /nfs/dbraw/zinc/21/41/67/662214167.db2.gz PVWZVDOVUMHFRU-NWDGAFQWSA-N 1 3 306.414 0.717 20 0 DCADHO Cc1nccn1CCCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000727865139 662257156 /nfs/dbraw/zinc/25/71/56/662257156.db2.gz BKJAPYALWLKDTB-AWEZNQCLSA-N 1 3 307.442 0.724 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984800106 662315949 /nfs/dbraw/zinc/31/59/49/662315949.db2.gz NIKGODJALIYUQY-RBSFLKMASA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984800106 662315952 /nfs/dbraw/zinc/31/59/52/662315952.db2.gz NIKGODJALIYUQY-RBSFLKMASA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCNC3=O)C2)C1 ZINC000984805527 662316957 /nfs/dbraw/zinc/31/69/57/662316957.db2.gz UFSNCMAWHPKCAC-TUVASFSCSA-N 1 3 322.453 0.091 20 0 DCADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000985121007 662370509 /nfs/dbraw/zinc/37/05/09/662370509.db2.gz BAZCKFYBJWIBCP-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000985121007 662370511 /nfs/dbraw/zinc/37/05/11/662370511.db2.gz BAZCKFYBJWIBCP-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985467068 662460193 /nfs/dbraw/zinc/46/01/93/662460193.db2.gz HGTFSVCNSQFVKR-CABCVRRESA-N 1 3 324.469 0.513 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985467068 662460195 /nfs/dbraw/zinc/46/01/95/662460195.db2.gz HGTFSVCNSQFVKR-CABCVRRESA-N 1 3 324.469 0.513 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CCC1 ZINC001029755915 662466223 /nfs/dbraw/zinc/46/62/23/662466223.db2.gz PKKZUTWRXCJWKM-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)CCC1 ZINC001029755915 662466225 /nfs/dbraw/zinc/46/62/25/662466225.db2.gz PKKZUTWRXCJWKM-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985655640 662497185 /nfs/dbraw/zinc/49/71/85/662497185.db2.gz VETCCGLWFQUDDL-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985655640 662497186 /nfs/dbraw/zinc/49/71/86/662497186.db2.gz VETCCGLWFQUDDL-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]1[C@H](NCc2cncn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986824178 662622254 /nfs/dbraw/zinc/62/22/54/662622254.db2.gz KWJKIOAREYCURH-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987521350 662685362 /nfs/dbraw/zinc/68/53/62/662685362.db2.gz CQJKZHREFYBJCQ-GOEBONIOSA-N 1 3 319.453 0.903 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988957297 662873458 /nfs/dbraw/zinc/87/34/58/662873458.db2.gz FCUHPAXTYXMSKJ-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001000689537 665910185 /nfs/dbraw/zinc/91/01/85/665910185.db2.gz QEFXZLOOQMFEFB-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000689537 665910189 /nfs/dbraw/zinc/91/01/89/665910189.db2.gz QEFXZLOOQMFEFB-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729602032 662904789 /nfs/dbraw/zinc/90/47/89/662904789.db2.gz JQOSWYUNVKXICR-RRFJBIMHSA-N 1 3 312.458 0.879 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729602033 662904817 /nfs/dbraw/zinc/90/48/17/662904817.db2.gz JQOSWYUNVKXICR-SOUVJXGZSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(C1CC2OC1C1CC12)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000899212486 663130336 /nfs/dbraw/zinc/13/03/36/663130336.db2.gz RVRBOELKBRRLOV-LEOABGAYSA-N 1 3 320.433 0.763 20 0 DCADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCN(C)CCO)CC1 ZINC000899734394 663187536 /nfs/dbraw/zinc/18/75/36/663187536.db2.gz DJPOIWMYDGLVPD-UHFFFAOYSA-N 1 3 320.437 0.647 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000900240038 663227736 /nfs/dbraw/zinc/22/77/36/663227736.db2.gz JAIDZRDCQUUOFG-UONOGXRCSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000900240038 663227737 /nfs/dbraw/zinc/22/77/37/663227737.db2.gz JAIDZRDCQUUOFG-UONOGXRCSA-N 1 3 305.426 0.801 20 0 DCADHO CN1CCN(c2cc[nH+]cc2NC(=O)Cc2c[nH]cn2)CC1 ZINC000900339637 663235144 /nfs/dbraw/zinc/23/51/44/663235144.db2.gz RTWYLSOATPXHDB-UHFFFAOYSA-N 1 3 300.366 0.738 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001000843737 665935484 /nfs/dbraw/zinc/93/54/84/665935484.db2.gz YLFMLIMTZRBQPJ-HOTGVXAUSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001000843737 665935487 /nfs/dbraw/zinc/93/54/87/665935487.db2.gz YLFMLIMTZRBQPJ-HOTGVXAUSA-N 1 3 307.438 0.744 20 0 DCADHO CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CN2CCC1CC2 ZINC000900663831 663267765 /nfs/dbraw/zinc/26/77/65/663267765.db2.gz XJHKFUABLKPYAY-MRXNPFEDSA-N 1 3 307.438 0.650 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000903762458 663480015 /nfs/dbraw/zinc/48/00/15/663480015.db2.gz CCBZRORIYKRAPU-RBSFLKMASA-N 1 3 324.469 0.371 20 0 DCADHO COCC(C)(C)N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903762818 663480413 /nfs/dbraw/zinc/48/04/13/663480413.db2.gz DRXODSVEKUFSOD-WBVHZDCISA-N 1 3 311.470 0.798 20 0 DCADHO O=C1OCCN1C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764958 663480970 /nfs/dbraw/zinc/48/09/70/663480970.db2.gz CMPDKJILSUTBJT-ZBFHGGJFSA-N 1 3 309.410 0.672 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@H]1CC[NH3+] ZINC000903775916 663483824 /nfs/dbraw/zinc/48/38/24/663483824.db2.gz IQHKHKULYHSJOY-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnn(CCF)c1)C2 ZINC000903784737 663484907 /nfs/dbraw/zinc/48/49/07/663484907.db2.gz RABBZGNVXDBEJW-GUTXKFCHSA-N 1 3 310.373 0.565 20 0 DCADHO O=C1OCCCN1C1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903822928 663487278 /nfs/dbraw/zinc/48/72/78/663487278.db2.gz ACXGLGVYAMESKH-CQSZACIVSA-N 1 3 309.410 0.672 20 0 DCADHO CC(=O)NC[C@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903874327 663490673 /nfs/dbraw/zinc/49/06/73/663490673.db2.gz YBNIPGNZZDNAFY-CVEARBPZSA-N 1 3 321.469 0.694 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN[C@H](C)[C@H](C)N2CCOCC2)cnn1C ZINC000903922767 663496168 /nfs/dbraw/zinc/49/61/68/663496168.db2.gz DNTGFNAFEKBJJB-IJEWVQPXSA-N 1 3 323.485 0.545 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000903937288 663497043 /nfs/dbraw/zinc/49/70/43/663497043.db2.gz HDBZPHMSIPMKHN-UHFFFAOYSA-N 1 3 306.454 0.544 20 0 DCADHO COC(=O)C[C@@H]1CN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C[C@H]1C ZINC000903985704 663500049 /nfs/dbraw/zinc/50/00/49/663500049.db2.gz ACAKFOANLBGVTR-XNRPHZJLSA-N 1 3 322.453 0.977 20 0 DCADHO Cn1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000903987991 663500066 /nfs/dbraw/zinc/50/00/66/663500066.db2.gz LYYATTXUSGXFFM-LSDHHAIUSA-N 1 3 319.453 0.797 20 0 DCADHO Cn1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000903987991 663500067 /nfs/dbraw/zinc/50/00/67/663500067.db2.gz LYYATTXUSGXFFM-LSDHHAIUSA-N 1 3 319.453 0.797 20 0 DCADHO C[NH+](C)CC1(CNC[C@H](O)C[C@@]2(O)CCOC2)CCCC1 ZINC000905211783 663540811 /nfs/dbraw/zinc/54/08/11/663540811.db2.gz GYFWVDTYKRATFS-ZBFHGGJFSA-N 1 3 300.443 0.600 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906650162 663627162 /nfs/dbraw/zinc/62/71/62/663627162.db2.gz JGQGYUNQYDNCFM-ZDUSSCGKSA-N 1 3 304.394 0.684 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C2CN(CC3CC3)C2)CC1)[NH+](C)C ZINC000941444222 665995812 /nfs/dbraw/zinc/99/58/12/665995812.db2.gz KAGUALNYUJSFSX-KRWDZBQOSA-N 1 3 322.497 0.811 20 0 DCADHO O=C(C1CCC(N2CCOCC2)CC1)N1CCN2CC[C@H]1C2 ZINC000908533824 663760090 /nfs/dbraw/zinc/76/00/90/663760090.db2.gz PAMCZFMWDDQMRZ-GPANFISMSA-N 1 3 307.438 0.794 20 0 DCADHO O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCN2CC[C@H]1C2 ZINC000908533824 663760091 /nfs/dbraw/zinc/76/00/91/663760091.db2.gz PAMCZFMWDDQMRZ-GPANFISMSA-N 1 3 307.438 0.794 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000911093709 663981343 /nfs/dbraw/zinc/98/13/43/663981343.db2.gz YDIKXFWIJHYIDG-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911161474 663995433 /nfs/dbraw/zinc/99/54/33/663995433.db2.gz KOQBJQQHKJQGKD-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000911161809 663995571 /nfs/dbraw/zinc/99/55/71/663995571.db2.gz NCFBTZYRYDMSRI-ILXRZTDVSA-N 1 3 324.469 0.278 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000911162078 663995820 /nfs/dbraw/zinc/99/58/20/663995820.db2.gz OMSWFCKKDBMZCP-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911163814 663996377 /nfs/dbraw/zinc/99/63/77/663996377.db2.gz ZKOPNZFXCDAIRP-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911209057 664005523 /nfs/dbraw/zinc/00/55/23/664005523.db2.gz LPPVJYFBTZDDOC-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911257729 664017049 /nfs/dbraw/zinc/01/70/49/664017049.db2.gz KUJMFUHQZVEOIM-DGAVXFQQSA-N 1 3 322.453 0.232 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000911309017 664025500 /nfs/dbraw/zinc/02/55/00/664025500.db2.gz CMIBWYQOUPLQDV-UHFFFAOYSA-N 1 3 322.453 0.261 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911326123 664028611 /nfs/dbraw/zinc/02/86/11/664028611.db2.gz ZSTRSKFFCXEVPX-IHRRRGAJSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C[C@H]1C[NH3+] ZINC000911533731 664070489 /nfs/dbraw/zinc/07/04/89/664070489.db2.gz QMQHIKLNIRLQAN-ZIAGYGMSSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556078 664078575 /nfs/dbraw/zinc/07/85/75/664078575.db2.gz ISTWFJYCJQJJFJ-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)[C@@H]1CCN(S(=O)(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC000249922519 1157406373 /nfs/dbraw/zinc/40/63/73/1157406373.db2.gz BBTCIWNHKBNIOT-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)COC1CC[NH+](C)CC1 ZINC000911666619 664096780 /nfs/dbraw/zinc/09/67/80/664096780.db2.gz YTRNIHPFFTZZJS-OAHLLOKOSA-N 1 3 321.421 0.922 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC000911736226 664104895 /nfs/dbraw/zinc/10/48/95/664104895.db2.gz INXNFLXWAHMEQC-UONOGXRCSA-N 1 3 316.405 0.723 20 0 DCADHO CC1(C)CNCCN1C(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC000911847752 664116635 /nfs/dbraw/zinc/11/66/35/664116635.db2.gz NVIWIGZJHFIYFK-CYBMUJFWSA-N 1 3 316.405 0.723 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912904963 664246321 /nfs/dbraw/zinc/24/63/21/664246321.db2.gz YLSBXJFZHAWQTI-OAHLLOKOSA-N 1 3 313.442 0.278 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912904963 664246323 /nfs/dbraw/zinc/24/63/23/664246323.db2.gz YLSBXJFZHAWQTI-OAHLLOKOSA-N 1 3 313.442 0.278 20 0 DCADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929724079 664703257 /nfs/dbraw/zinc/70/32/57/664703257.db2.gz XOMMUWQRPKICSK-XHSDSOJGSA-N 1 3 300.443 0.695 20 0 DCADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929724079 664703258 /nfs/dbraw/zinc/70/32/58/664703258.db2.gz XOMMUWQRPKICSK-XHSDSOJGSA-N 1 3 300.443 0.695 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@@H]2C1)C1CCC1 ZINC000992719138 664760831 /nfs/dbraw/zinc/76/08/31/664760831.db2.gz ZGZPPYRMBJQRPV-NUEKZKHPSA-N 1 3 309.454 0.680 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000731121253 664837897 /nfs/dbraw/zinc/83/78/97/664837897.db2.gz STEQCFROUYHESQ-RBSFLKMASA-N 1 3 310.442 0.491 20 0 DCADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000731121253 664837903 /nfs/dbraw/zinc/83/79/03/664837903.db2.gz STEQCFROUYHESQ-RBSFLKMASA-N 1 3 310.442 0.491 20 0 DCADHO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1CN1CCCC1 ZINC000923598091 665062580 /nfs/dbraw/zinc/06/25/80/665062580.db2.gz HUZIGLDDIHJADH-UONOGXRCSA-N 1 3 301.456 0.628 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938319980 665335244 /nfs/dbraw/zinc/33/52/44/665335244.db2.gz PNIGNTGJFURYQR-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938319980 665335250 /nfs/dbraw/zinc/33/52/50/665335250.db2.gz PNIGNTGJFURYQR-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941665137 666040829 /nfs/dbraw/zinc/04/08/29/666040829.db2.gz CHUWMEUTYWBGDR-MRXNPFEDSA-N 1 3 320.481 0.567 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941665137 666040831 /nfs/dbraw/zinc/04/08/31/666040831.db2.gz CHUWMEUTYWBGDR-MRXNPFEDSA-N 1 3 320.481 0.567 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858372 666071435 /nfs/dbraw/zinc/07/14/35/666071435.db2.gz OLEZKUDFUVJHAQ-CJNGLKHVSA-N 1 3 305.422 0.933 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001002234553 666142955 /nfs/dbraw/zinc/14/29/55/666142955.db2.gz GWAHFCMJXUOJRO-BPLDGKMQSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001002234553 666142956 /nfs/dbraw/zinc/14/29/56/666142956.db2.gz GWAHFCMJXUOJRO-BPLDGKMQSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016333893 666224226 /nfs/dbraw/zinc/22/42/26/666224226.db2.gz ZUIJFQATDVGOCB-BBRMVZONSA-N 1 3 305.422 0.933 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001003331581 666295659 /nfs/dbraw/zinc/29/56/59/666295659.db2.gz HJCAPPOHCTUJQG-HQVVEAJESA-N 1 3 319.449 0.840 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004368843 666524881 /nfs/dbraw/zinc/52/48/81/666524881.db2.gz FVBWIXOIRAFFKC-GJZGRUSLSA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004368843 666524883 /nfs/dbraw/zinc/52/48/83/666524883.db2.gz FVBWIXOIRAFFKC-GJZGRUSLSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779128 666651008 /nfs/dbraw/zinc/65/10/08/666651008.db2.gz HAZMMWLFNOCKLG-LUKYLMHMSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779128 666651010 /nfs/dbraw/zinc/65/10/10/666651010.db2.gz HAZMMWLFNOCKLG-LUKYLMHMSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C)C(N)=O ZINC000995889502 666719302 /nfs/dbraw/zinc/71/93/02/666719302.db2.gz VIKKGTJBRBNEJF-NWDGAFQWSA-N 1 3 310.442 0.171 20 0 DCADHO CN(CC(=O)N1C[C@H]([NH2+][C@@H]2CCNC2=O)C(C)(C)C1)C1CCC1 ZINC000995914143 666721600 /nfs/dbraw/zinc/72/16/00/666721600.db2.gz CXHKDEBAXIHXIT-KGLIPLIRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C)C(N)=O ZINC000995996981 666729042 /nfs/dbraw/zinc/72/90/42/666729042.db2.gz OAOLPXZEMINRQZ-OLZOCXBDSA-N 1 3 322.453 0.315 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996675471 666856613 /nfs/dbraw/zinc/85/66/13/666856613.db2.gz ZBGSDQYZQXRLDA-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000861729581 666967674 /nfs/dbraw/zinc/96/76/74/666967674.db2.gz VPJUZKBOQLJPHN-MELADBBJSA-N 1 3 310.442 0.234 20 0 DCADHO O=C(N[C@@H]1CCCCN(CCO)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034331624 666990390 /nfs/dbraw/zinc/99/03/90/666990390.db2.gz UMEJFDONSYDZFN-CVEARBPZSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(NCc3nccn3C)CC2)C1 ZINC000997007164 667069329 /nfs/dbraw/zinc/06/93/29/667069329.db2.gz PBVMWZIJWNMWTR-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(NCc3nccn3C)CC2)C1 ZINC000997007164 667069331 /nfs/dbraw/zinc/06/93/31/667069331.db2.gz PBVMWZIJWNMWTR-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCC[C@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997039497 667085377 /nfs/dbraw/zinc/08/53/77/667085377.db2.gz DBMRREYVZHLQDU-AWEZNQCLSA-N 1 3 319.409 0.154 20 0 DCADHO CC(C)(C)OC(=O)N1CC(CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000863554325 667157266 /nfs/dbraw/zinc/15/72/66/667157266.db2.gz WOGBTNJASMGJSL-AWEZNQCLSA-N 1 3 313.442 0.900 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001034964175 667204562 /nfs/dbraw/zinc/20/45/62/667204562.db2.gz AOFYOZMGMYLHBZ-ILXRZTDVSA-N 1 3 324.469 0.432 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001035123177 667250887 /nfs/dbraw/zinc/25/08/87/667250887.db2.gz ILMJBJHTEFGGBR-HUUCEWRRSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001035123177 667250889 /nfs/dbraw/zinc/25/08/89/667250889.db2.gz ILMJBJHTEFGGBR-HUUCEWRRSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254511 667282412 /nfs/dbraw/zinc/28/24/12/667282412.db2.gz KBEBSJRQGSYSQT-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254511 667282413 /nfs/dbraw/zinc/28/24/13/667282413.db2.gz KBEBSJRQGSYSQT-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CCCO)C2)CC1)C1CC1 ZINC001035720262 667403882 /nfs/dbraw/zinc/40/38/82/667403882.db2.gz HEQLPRZRMZYBOS-OAHLLOKOSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035722616 667404187 /nfs/dbraw/zinc/40/41/87/667404187.db2.gz WZBDDHZIIVTFHB-CQSZACIVSA-N 1 3 309.454 0.776 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC2(C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC001035803400 667412621 /nfs/dbraw/zinc/41/26/21/667412621.db2.gz BYCDMCGNFHRAFA-CQSZACIVSA-N 1 3 318.421 0.913 20 0 DCADHO Cc1cccc(OC[C@@H](O)CN(C)CCN2CC[NH2+]CC2)c1 ZINC000923286583 667496482 /nfs/dbraw/zinc/49/64/82/667496482.db2.gz OURGSRQCJHGFIM-INIZCTEOSA-N 1 3 307.438 0.572 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884235370 667507046 /nfs/dbraw/zinc/50/70/46/667507046.db2.gz SSUMUUSIKDLNHV-LSDHHAIUSA-N 1 3 310.486 0.622 20 0 DCADHO CCOCCN1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1CC ZINC000923323347 667507685 /nfs/dbraw/zinc/50/76/85/667507685.db2.gz SFCXXUZARFOTLN-HZPDHXFCSA-N 1 3 311.470 0.798 20 0 DCADHO CC(C)COC[C@@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923343459 667512329 /nfs/dbraw/zinc/51/23/29/667512329.db2.gz CMUUGDGFMNRKOZ-GJZGRUSLSA-N 1 3 315.458 0.339 20 0 DCADHO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923375947 667519854 /nfs/dbraw/zinc/51/98/54/667519854.db2.gz SHKUFYJHQFBGHK-LSDHHAIUSA-N 1 3 311.430 0.551 20 0 DCADHO CCCCOC[C@H](O)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923375947 667519857 /nfs/dbraw/zinc/51/98/57/667519857.db2.gz SHKUFYJHQFBGHK-LSDHHAIUSA-N 1 3 311.430 0.551 20 0 DCADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](CN)OC)cc1 ZINC000884404468 667538723 /nfs/dbraw/zinc/53/87/23/667538723.db2.gz NIKKIZWKKCNARH-JYJNAYRXSA-N 1 3 321.421 0.621 20 0 DCADHO CN1CC[C@](O)(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868180740 667540343 /nfs/dbraw/zinc/54/03/43/667540343.db2.gz JKKVBXSWRCDDAT-LZWOXQAQSA-N 1 3 304.394 0.689 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923484840 667544873 /nfs/dbraw/zinc/54/48/73/667544873.db2.gz OKYQIOSCBXJUAJ-KBPBESRZSA-N 1 3 311.426 0.601 20 0 DCADHO COC(=O)CCN1CCC[C@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518373 667552369 /nfs/dbraw/zinc/55/23/69/667552369.db2.gz DQKBVUZNFYGSCG-MJBXVCDLSA-N 1 3 309.410 0.082 20 0 DCADHO COc1ccccc1[C@H](N)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923561946 667564459 /nfs/dbraw/zinc/56/44/59/667564459.db2.gz AZNWDKSJSUETPY-WCQYABFASA-N 1 3 313.423 0.366 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH3+])(CC)CC1 ZINC000884617711 667576533 /nfs/dbraw/zinc/57/65/33/667576533.db2.gz RHIDXGQFEXVYPT-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000838301249 667684927 /nfs/dbraw/zinc/68/49/27/667684927.db2.gz AIZWZCXWDNSNRL-HRCADAONSA-N 1 3 324.469 0.974 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000838301249 667684929 /nfs/dbraw/zinc/68/49/29/667684929.db2.gz AIZWZCXWDNSNRL-HRCADAONSA-N 1 3 324.469 0.974 20 0 DCADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000870991036 667782566 /nfs/dbraw/zinc/78/25/66/667782566.db2.gz CWQAHNHJWHVNBH-MRXNPFEDSA-N 1 3 305.426 0.893 20 0 DCADHO CC[C@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N(C)C ZINC000872253757 667882263 /nfs/dbraw/zinc/88/22/63/667882263.db2.gz GUXMUGXBERQFLR-MCIONIFRSA-N 1 3 324.425 0.110 20 0 DCADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)C12CCC[NH+](CCC1)C2 ZINC000889744360 667985879 /nfs/dbraw/zinc/98/58/79/667985879.db2.gz LVUWQGDKSANCLJ-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO CN(CCCN1CCOC1=O)CC[N@H+](C)C1CCN(C)CC1 ZINC000751033222 667994728 /nfs/dbraw/zinc/99/47/28/667994728.db2.gz NHPSVHCJPBKWEA-UHFFFAOYSA-N 1 3 312.458 0.787 20 0 DCADHO CN(CCCN1CCOC1=O)CC[N@@H+](C)C1CCN(C)CC1 ZINC000751033222 667994730 /nfs/dbraw/zinc/99/47/30/667994730.db2.gz NHPSVHCJPBKWEA-UHFFFAOYSA-N 1 3 312.458 0.787 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873328859 668073544 /nfs/dbraw/zinc/07/35/44/668073544.db2.gz QYIQGJQTIVQWLN-IUODEOHRSA-N 1 3 306.414 0.851 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924478318 668209841 /nfs/dbraw/zinc/20/98/41/668209841.db2.gz JJSDXYJGEBCTHY-MJBXVCDLSA-N 1 3 310.442 0.836 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924478318 668209844 /nfs/dbraw/zinc/20/98/44/668209844.db2.gz JJSDXYJGEBCTHY-MJBXVCDLSA-N 1 3 310.442 0.836 20 0 DCADHO CN1C[C@@H](O)C[C@@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000924982728 668259610 /nfs/dbraw/zinc/25/96/10/668259610.db2.gz WQIGKLGMADKXAM-SJORKVTESA-N 1 3 317.433 0.616 20 0 DCADHO CN1C[C@@H](O)C[C@@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000924982728 668259611 /nfs/dbraw/zinc/25/96/11/668259611.db2.gz WQIGKLGMADKXAM-SJORKVTESA-N 1 3 317.433 0.616 20 0 DCADHO O=C1OC[C@]2(CN[C@H]3CC[NH2+]C[C@@H]3C3CCCC3)COCCN12 ZINC000925732366 668343153 /nfs/dbraw/zinc/34/31/53/668343153.db2.gz FVNHAOXHQKGIKA-VYDXJSESSA-N 1 3 323.437 0.966 20 0 DCADHO O=C1OC[C@]2(CN[C@@H]3CC[NH2+]C[C@H]3C3CCCC3)COCCN12 ZINC000925732365 668343573 /nfs/dbraw/zinc/34/35/73/668343573.db2.gz FVNHAOXHQKGIKA-UXLLHSPISA-N 1 3 323.437 0.966 20 0 DCADHO C[C@H](N[C@@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000925769597 668346788 /nfs/dbraw/zinc/34/67/88/668346788.db2.gz PBFADRMMBIHQHL-GVDBMIGSSA-N 1 3 310.486 0.371 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926361923 668399003 /nfs/dbraw/zinc/39/90/03/668399003.db2.gz LOMVKPSSMQNXMN-KRWDZBQOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926383758 668401853 /nfs/dbraw/zinc/40/18/53/668401853.db2.gz VUJJIGHNAGXHHM-RHSMWYFYSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)N1CCc2ccccc2C1 ZINC000876723334 668495978 /nfs/dbraw/zinc/49/59/78/668495978.db2.gz TZFVMUMMFJYRII-IRXDYDNUSA-N 1 3 318.465 0.828 20 0 DCADHO CCN1CCN(CCCNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781002 668509804 /nfs/dbraw/zinc/50/98/04/668509804.db2.gz LOGAJIXNNCASGM-WLMCBFPDSA-N 1 3 308.470 0.686 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876782444 668510287 /nfs/dbraw/zinc/51/02/87/668510287.db2.gz RCLHTTWJYAZGFQ-RBSFLKMASA-N 1 3 310.486 0.750 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876782413 668510802 /nfs/dbraw/zinc/51/08/02/668510802.db2.gz QDYIOIJIXMAMIX-SWLSCSKDSA-N 1 3 321.400 0.720 20 0 DCADHO CN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CCC1(C)C ZINC000877206953 668576190 /nfs/dbraw/zinc/57/61/90/668576190.db2.gz SOMKFUWYNKYBGL-UHFFFAOYSA-N 1 3 308.430 0.573 20 0 DCADHO CS[C@H]1CN(CC(=O)NC2CC[NH+](C)CC2)C[C@H]1N(C)C ZINC000878320729 668712249 /nfs/dbraw/zinc/71/22/49/668712249.db2.gz QQHWGJCIFRWFFK-KGLIPLIRSA-N 1 3 314.499 0.174 20 0 DCADHO CN(CCC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1cc[nH+]cc1 ZINC000779506037 668911897 /nfs/dbraw/zinc/91/18/97/668911897.db2.gz MTINCNJYQDEHTJ-HOTGVXAUSA-N 1 3 318.421 0.887 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000931018490 669122821 /nfs/dbraw/zinc/12/28/21/669122821.db2.gz OADVYWKCOPQGKJ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000931018490 669122825 /nfs/dbraw/zinc/12/28/25/669122825.db2.gz OADVYWKCOPQGKJ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCCN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC000931436577 669203079 /nfs/dbraw/zinc/20/30/79/669203079.db2.gz TUGAFWNCYWLOCE-KFWWJZLASA-N 1 3 315.483 0.542 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3CCCN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC000931436577 669203082 /nfs/dbraw/zinc/20/30/82/669203082.db2.gz TUGAFWNCYWLOCE-KFWWJZLASA-N 1 3 315.483 0.542 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC000931435804 669203877 /nfs/dbraw/zinc/20/38/77/669203877.db2.gz DDJRNOPWVNLFQO-MJBXVCDLSA-N 1 3 301.456 0.151 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC000931435804 669203880 /nfs/dbraw/zinc/20/38/80/669203880.db2.gz DDJRNOPWVNLFQO-MJBXVCDLSA-N 1 3 301.456 0.151 20 0 DCADHO C[NH+](C)CC1(O)CCN(C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000931479796 669210322 /nfs/dbraw/zinc/21/03/22/669210322.db2.gz BTMRXRLADSIWSR-IRXDYDNUSA-N 1 3 322.449 0.860 20 0 DCADHO OCc1cc(N[C@@H]2CCCN(CCN3CCOCC3)C2)cc[nH+]1 ZINC000882987264 669634888 /nfs/dbraw/zinc/63/48/88/669634888.db2.gz XIJOUTNEEPXHQF-MRXNPFEDSA-N 1 3 320.437 0.782 20 0 DCADHO CC(C)N(CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC(N)=O ZINC001691766577 1157949795 /nfs/dbraw/zinc/94/97/95/1157949795.db2.gz BXVBRCZLXSXFHG-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO O[C@H](CN1CCC[C@@H](CN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000800478295 670092366 /nfs/dbraw/zinc/09/23/66/670092366.db2.gz CMZLWNZPNYNEGM-IRXDYDNUSA-N 1 3 311.470 0.487 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NC[C@@H]1CCOC1 ZINC000849276172 670772597 /nfs/dbraw/zinc/77/25/97/670772597.db2.gz AUNUWCWZCNQSFT-KBPBESRZSA-N 1 3 316.515 0.759 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NC[C@@H]1CCOC1 ZINC000849276172 670772602 /nfs/dbraw/zinc/77/26/02/670772602.db2.gz AUNUWCWZCNQSFT-KBPBESRZSA-N 1 3 316.515 0.759 20 0 DCADHO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000849523683 670813300 /nfs/dbraw/zinc/81/33/00/670813300.db2.gz XJVJUBPWNAWKNH-JYJNAYRXSA-N 1 3 319.453 0.666 20 0 DCADHO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000849523683 670813304 /nfs/dbraw/zinc/81/33/04/670813304.db2.gz XJVJUBPWNAWKNH-JYJNAYRXSA-N 1 3 319.453 0.666 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849577825 670821571 /nfs/dbraw/zinc/82/15/71/670821571.db2.gz SWGUGSMBAZTQAA-HOTGVXAUSA-N 1 3 321.469 0.866 20 0 DCADHO CCS(=O)(=O)CCN[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000819053812 671090384 /nfs/dbraw/zinc/09/03/84/671090384.db2.gz KQHSBZXVZFIXNP-ZDUSSCGKSA-N 1 3 303.472 0.179 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)N2CCN(CC3CCCCC3)CC2)=NO1 ZINC000852857745 671176449 /nfs/dbraw/zinc/17/64/49/671176449.db2.gz DSRBRFXFNREEBR-AWEZNQCLSA-N 1 3 308.426 0.815 20 0 DCADHO C[NH+](C)CCCNC(=S)NC1CCN([C@@H]2CCOC2)CC1 ZINC000853029085 671203419 /nfs/dbraw/zinc/20/34/19/671203419.db2.gz IDQBLAACWYJFJL-CQSZACIVSA-N 1 3 314.499 0.656 20 0 DCADHO CN(CC1C[NH+](C)C1)CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000853552844 671242923 /nfs/dbraw/zinc/24/29/23/671242923.db2.gz IMLCTGVKFYHGEA-INIZCTEOSA-N 1 3 308.426 0.354 20 0 DCADHO C[C@@H]1CCCN1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000831970307 671693837 /nfs/dbraw/zinc/69/38/37/671693837.db2.gz CAJIKJQDCKBWKX-OLZOCXBDSA-N 1 3 306.414 0.417 20 0 DCADHO C[C@H]1CCCN1CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000831971268 671694459 /nfs/dbraw/zinc/69/44/59/671694459.db2.gz UQSCIIBBZIOISB-LBPRGKRZSA-N 1 3 306.414 0.417 20 0 DCADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790260 671955076 /nfs/dbraw/zinc/95/50/76/671955076.db2.gz BETWEPTZBUHIGI-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000841790260 671955078 /nfs/dbraw/zinc/95/50/78/671955078.db2.gz BETWEPTZBUHIGI-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841790521 671955140 /nfs/dbraw/zinc/95/51/40/671955140.db2.gz DSAOBAGPEOCMCP-RRFJBIMHSA-N 1 3 312.458 0.864 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841788213 671955512 /nfs/dbraw/zinc/95/55/12/671955512.db2.gz DUNIWWBCZNCQGS-CABCVRRESA-N 1 3 308.426 0.459 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000842014790 671974290 /nfs/dbraw/zinc/97/42/90/671974290.db2.gz FDQVSWZSHJAGOS-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000842099174 671982012 /nfs/dbraw/zinc/98/20/12/671982012.db2.gz XZHFHCMPMGXLFM-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842174409 671989270 /nfs/dbraw/zinc/98/92/70/671989270.db2.gz FEDHHQSLIXICDU-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000843490600 672104192 /nfs/dbraw/zinc/10/41/92/672104192.db2.gz KSZNDISOUNEANS-SMDDNHRTSA-N 1 3 303.410 0.612 20 0 DCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000843490600 672104196 /nfs/dbraw/zinc/10/41/96/672104196.db2.gz KSZNDISOUNEANS-SMDDNHRTSA-N 1 3 303.410 0.612 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000846143768 672297188 /nfs/dbraw/zinc/29/71/88/672297188.db2.gz HNMWFJGDOTYVOK-HUUCEWRRSA-N 1 3 310.442 0.539 20 0 DCADHO [NH3+]CCC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000846148332 672297369 /nfs/dbraw/zinc/29/73/69/672297369.db2.gz ZQUMPKXHFGTKLI-LSDHHAIUSA-N 1 3 310.442 0.620 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)CC[NH+]1CCCCC1 ZINC001691619286 1158359293 /nfs/dbraw/zinc/35/92/93/1158359293.db2.gz JMRWWKCOKPQOQM-UHFFFAOYSA-N 1 3 310.442 0.143 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC000962400959 688901122 /nfs/dbraw/zinc/90/11/22/688901122.db2.gz BKHSVERBAPXKIS-SZOQZIPDSA-N 1 3 318.421 0.734 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC000962400959 688901125 /nfs/dbraw/zinc/90/11/25/688901125.db2.gz BKHSVERBAPXKIS-SZOQZIPDSA-N 1 3 318.421 0.734 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC000962412262 688903257 /nfs/dbraw/zinc/90/32/57/688903257.db2.gz ZZWNLHULVSYPCN-SZOQZIPDSA-N 1 3 318.421 0.734 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC000962412262 688903259 /nfs/dbraw/zinc/90/32/59/688903259.db2.gz ZZWNLHULVSYPCN-SZOQZIPDSA-N 1 3 318.421 0.734 20 0 DCADHO O=C(CN1CCCC1)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039173218 694317346 /nfs/dbraw/zinc/31/73/46/694317346.db2.gz QMLKHBYJLOPGAZ-INIZCTEOSA-N 1 3 309.454 0.635 20 0 DCADHO O=C(CN1CCCC1)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001039173218 694317349 /nfs/dbraw/zinc/31/73/49/694317349.db2.gz QMLKHBYJLOPGAZ-INIZCTEOSA-N 1 3 309.454 0.635 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000967980340 690141705 /nfs/dbraw/zinc/14/17/05/690141705.db2.gz UHJSKBXKFGLQFU-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000967980340 690141709 /nfs/dbraw/zinc/14/17/09/690141709.db2.gz UHJSKBXKFGLQFU-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n[nH]1 ZINC000968701983 690371431 /nfs/dbraw/zinc/37/14/31/690371431.db2.gz BHONZZSALBIZNM-ZIAGYGMSSA-N 1 3 318.425 0.145 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001007989496 690784032 /nfs/dbraw/zinc/78/40/32/690784032.db2.gz LAKBOINSJNCXAD-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001007989496 690784033 /nfs/dbraw/zinc/78/40/33/690784033.db2.gz LAKBOINSJNCXAD-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001720095392 1158963512 /nfs/dbraw/zinc/96/35/12/1158963512.db2.gz LWANMZQKCQBQRO-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001720095392 1158963516 /nfs/dbraw/zinc/96/35/16/1158963516.db2.gz LWANMZQKCQBQRO-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1cc(CCN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001015999726 692542332 /nfs/dbraw/zinc/54/23/32/692542332.db2.gz WXUMOOYGTBXOOM-ZBFHGGJFSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001015999726 692542335 /nfs/dbraw/zinc/54/23/35/692542335.db2.gz WXUMOOYGTBXOOM-ZBFHGGJFSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@@H](O)CN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016330852 692654427 /nfs/dbraw/zinc/65/44/27/692654427.db2.gz WAEUFQNALFMFCJ-UKRRQHHQSA-N 1 3 305.422 0.933 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016652574 692739856 /nfs/dbraw/zinc/73/98/56/692739856.db2.gz UOAMTWYNUGHWFA-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018626591 693167433 /nfs/dbraw/zinc/16/74/33/693167433.db2.gz AMTIMQVLUHEAFH-LSDHHAIUSA-N 1 3 305.426 0.513 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC001018848815 693261016 /nfs/dbraw/zinc/26/10/16/693261016.db2.gz KROPBCOUDAOVHN-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001019812472 693593191 /nfs/dbraw/zinc/59/31/91/693593191.db2.gz QSNNMJUFRHHYFU-JSGCOSHPSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1)C(N)=O ZINC001019812472 693593194 /nfs/dbraw/zinc/59/31/94/693593194.db2.gz QSNNMJUFRHHYFU-JSGCOSHPSA-N 1 3 318.421 0.426 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020143782 693713115 /nfs/dbraw/zinc/71/31/15/693713115.db2.gz FEAMPUUBXLCZSF-BZUAXINKSA-N 1 3 319.453 0.993 20 0 DCADHO CC[C@@H](C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1)OC ZINC001073015956 694694939 /nfs/dbraw/zinc/69/49/39/694694939.db2.gz BFEWFBGXBYVDHF-AWEZNQCLSA-N 1 3 306.410 0.912 20 0 DCADHO CC[C@@H](C[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1)OC ZINC001073015956 694694941 /nfs/dbraw/zinc/69/49/41/694694941.db2.gz BFEWFBGXBYVDHF-AWEZNQCLSA-N 1 3 306.410 0.912 20 0 DCADHO CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001074755679 694920603 /nfs/dbraw/zinc/92/06/03/694920603.db2.gz RKTKXOVFRYUSMC-JOYVLCIYSA-N 1 3 307.438 0.839 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C)N(C)C ZINC001074888447 694928696 /nfs/dbraw/zinc/92/86/96/694928696.db2.gz CBMDTNQESSOUNV-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C)C(N)=O ZINC001074993552 694933768 /nfs/dbraw/zinc/93/37/68/694933768.db2.gz LDPXYVSIESJQLN-ZNMIVQPWSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)[C@@H]2C)CC1 ZINC001075009770 694934384 /nfs/dbraw/zinc/93/43/84/694934384.db2.gz WYJZUNLBJGVLDZ-IPYPFGDCSA-N 1 3 324.469 0.560 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001075154838 694940193 /nfs/dbraw/zinc/94/01/93/694940193.db2.gz BWJIUXDOGOIWDC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001571549915 1162805683 /nfs/dbraw/zinc/80/56/83/1162805683.db2.gz IOYGNCIIPXFVQZ-LSDHHAIUSA-N 1 3 322.457 0.493 20 0 DCADHO C([C@H]1CCOC1)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001772534906 1157524506 /nfs/dbraw/zinc/52/45/06/1157524506.db2.gz LJNFIJOSNCRTBS-IKGGRYGDSA-N 1 3 309.454 0.409 20 0 DCADHO CN1CCC(O)(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000397499267 1158100670 /nfs/dbraw/zinc/10/06/70/1158100670.db2.gz UPXGRVPSKGYPAO-CQSZACIVSA-N 1 3 309.366 0.675 20 0 DCADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001649078761 1158633105 /nfs/dbraw/zinc/63/31/05/1158633105.db2.gz NGFWPHQOEGVJNF-MELADBBJSA-N 1 3 317.437 0.702 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001566574731 1160073850 /nfs/dbraw/zinc/07/38/50/1160073850.db2.gz GWNKYUQBPJNRIK-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001566574731 1160073858 /nfs/dbraw/zinc/07/38/58/1160073858.db2.gz GWNKYUQBPJNRIK-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO COc1cc(C[NH2+]CCN(C)C(=O)CN2CCCC2)ccn1 ZINC001567606697 1160438105 /nfs/dbraw/zinc/43/81/05/1160438105.db2.gz XUFGHRJHFGPSIN-UHFFFAOYSA-N 1 3 306.410 0.734 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001567611878 1160440403 /nfs/dbraw/zinc/44/04/03/1160440403.db2.gz XWIDDROSDGNBGK-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001567611878 1160440407 /nfs/dbraw/zinc/44/04/07/1160440407.db2.gz XWIDDROSDGNBGK-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001568262023 1160615453 /nfs/dbraw/zinc/61/54/53/1160615453.db2.gz AAUMKMWUDZFMDX-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)[C@H]1CCCN1C ZINC001568291626 1160622228 /nfs/dbraw/zinc/62/22/28/1160622228.db2.gz NDZQBTXNUWJCKN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C[NH2+]CCO[C@@H]1CC1(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001568302487 1160625138 /nfs/dbraw/zinc/62/51/38/1160625138.db2.gz AUMBBAJEDUMINT-ZYHUDNBSSA-N 1 3 316.352 0.813 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)C1CC[NH+](C)CC1 ZINC001568772489 1160767804 /nfs/dbraw/zinc/76/78/04/1160767804.db2.gz XNMCAYYITHBXMN-UHFFFAOYSA-N 1 3 308.430 0.393 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001568991709 1160911444 /nfs/dbraw/zinc/91/14/44/1160911444.db2.gz IRQICFJPEBHGEI-ZBFHGGJFSA-N 1 3 321.469 0.930 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001568997263 1160912405 /nfs/dbraw/zinc/91/24/05/1160912405.db2.gz OEAUMLOAXXHMCO-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)C1 ZINC001574000459 1163620696 /nfs/dbraw/zinc/62/06/96/1163620696.db2.gz CVTKKNQPJJIQDJ-MQYQWHSLSA-N 1 3 313.467 0.402 20 0 DCADHO CCCN(C)CC(=O)NCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001576003704 1164206479 /nfs/dbraw/zinc/20/64/79/1164206479.db2.gz WEKQVYBAHUPWMH-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](CNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2)[NH+](C)C ZINC001576033289 1164218460 /nfs/dbraw/zinc/21/84/60/1164218460.db2.gz QILWFFQFAWWKNF-GWCFXTLKSA-N 1 3 304.394 0.579 20 0 DCADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC001576238629 1164277592 /nfs/dbraw/zinc/27/75/92/1164277592.db2.gz IHIZVDFEQAATIH-CXAGYDPISA-N 1 3 317.433 0.662 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001576798224 1164468999 /nfs/dbraw/zinc/46/89/99/1164468999.db2.gz OZPADCKMFGREEC-IVMMDQJWSA-N 1 3 308.426 0.243 20 0 DCADHO C[C@@H]1COCCN1CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC001576852735 1164493767 /nfs/dbraw/zinc/49/37/67/1164493767.db2.gz FFWAKXXIJAMLRA-HUUCEWRRSA-N 1 3 312.458 0.027 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)C1 ZINC001576877226 1164511984 /nfs/dbraw/zinc/51/19/84/1164511984.db2.gz COLIUGZHMJWNLF-OCCSQVGLSA-N 1 3 306.414 0.227 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)C1 ZINC001576877226 1164511992 /nfs/dbraw/zinc/51/19/92/1164511992.db2.gz COLIUGZHMJWNLF-OCCSQVGLSA-N 1 3 306.414 0.227 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(CCc3cn[nH]n3)C2)C1 ZINC001576878166 1164513585 /nfs/dbraw/zinc/51/35/85/1164513585.db2.gz ZAECKKCAGRCFLO-CZUORRHYSA-N 1 3 320.441 0.270 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(CCc3cn[nH]n3)C2)C1 ZINC001576878166 1164513595 /nfs/dbraw/zinc/51/35/95/1164513595.db2.gz ZAECKKCAGRCFLO-CZUORRHYSA-N 1 3 320.441 0.270 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CCN(Cc3c[nH]nn3)C2)C1 ZINC001576884088 1164515822 /nfs/dbraw/zinc/51/58/22/1164515822.db2.gz QURLXCPOKGJUDT-UONOGXRCSA-N 1 3 320.441 0.475 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC[C@H]2CCN(Cc3c[nH]nn3)C2)C1 ZINC001576884088 1164515830 /nfs/dbraw/zinc/51/58/30/1164515830.db2.gz QURLXCPOKGJUDT-UONOGXRCSA-N 1 3 320.441 0.475 20 0 DCADHO CCN(C)c1ccc(CN[C@H]2CC(=O)N(C3C[NH2+]C3)C2)cn1 ZINC001577658145 1164754950 /nfs/dbraw/zinc/75/49/50/1164754950.db2.gz XSHUFWBMOHTTOH-ZDUSSCGKSA-N 1 3 303.410 0.200 20 0 DCADHO CN(C)C1(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCC1 ZINC001578409478 1165002713 /nfs/dbraw/zinc/00/27/13/1165002713.db2.gz RZRHMRVAXWCHSB-UHFFFAOYSA-N 1 3 318.425 0.699 20 0 DCADHO CN(C)[C@@H](CNC(=O)c1cnnn1C1C[NH2+]C1)c1ccccc1 ZINC001578409304 1165002791 /nfs/dbraw/zinc/00/27/91/1165002791.db2.gz WOOLOPVMOBFNFB-AWEZNQCLSA-N 1 3 314.393 0.455 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)C[C@@H]1CNCCO1)c1cccnc1 ZINC001578415336 1165005691 /nfs/dbraw/zinc/00/56/91/1165005691.db2.gz LSPUXZRDYSOQQW-HUUCEWRRSA-N 1 3 306.410 0.569 20 0 DCADHO CN(C)CCSc1nc(CC(=O)NC/C=C\C[NH3+])cs1 ZINC001578419663 1165009016 /nfs/dbraw/zinc/00/90/16/1165009016.db2.gz YQKUSEASPUFBBE-ARJAWSKDSA-N 1 3 314.480 0.970 20 0 DCADHO CN(CCOCC[NH3+])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001578477199 1165031060 /nfs/dbraw/zinc/03/10/60/1165031060.db2.gz JYTFEFSAUWXPNA-CYBMUJFWSA-N 1 3 317.430 0.529 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001578639911 1165073867 /nfs/dbraw/zinc/07/38/67/1165073867.db2.gz DCNLHVBPFXTFMG-KNIAUWFNSA-N 1 3 311.470 0.926 20 0 DCADHO COC1CCN(CCNC(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001578940737 1165163980 /nfs/dbraw/zinc/16/39/80/1165163980.db2.gz JYZYTFWFZZCJFB-UHFFFAOYSA-N 1 3 309.454 0.993 20 0 DCADHO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC001579119822 1165215800 /nfs/dbraw/zinc/21/58/00/1165215800.db2.gz ZIKUJKYQZSVYPS-HUUCEWRRSA-N 1 3 324.425 0.648 20 0 DCADHO Cc1c(C[C@H](CN)C[NH2+][C@@H](C)Cc2cnn(C)c2)cnn1C ZINC001579529996 1165338634 /nfs/dbraw/zinc/33/86/34/1165338634.db2.gz PSDPYNYQADBMFE-GXTWGEPZSA-N 1 3 304.442 0.800 20 0 DCADHO Cn1nc2c(c1CN1CCC[C@H](C(=O)NCC[NH3+])C1)CCCC2 ZINC001579997802 1165465467 /nfs/dbraw/zinc/46/54/67/1165465467.db2.gz CCQWNSDUUVYQIA-ZDUSSCGKSA-N 1 3 319.453 0.586 20 0 DCADHO [NH3+]C[C@H](O)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001580328146 1165573140 /nfs/dbraw/zinc/57/31/40/1165573140.db2.gz DGMXXTWOVJVLKZ-HNNXBMFYSA-N 1 3 307.394 0.149 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001580497508 1165622573 /nfs/dbraw/zinc/62/25/73/1165622573.db2.gz ATBJSXUPULXQIX-AEFFLSMTSA-N 1 3 317.433 0.882 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001580612157 1165657238 /nfs/dbraw/zinc/65/72/38/1165657238.db2.gz UTQNZVOCLHSCKK-CABCVRRESA-N 1 3 323.437 0.125 20 0 DCADHO O=C(NC[C@H]1CCN1C1CCOCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC001580662045 1165678759 /nfs/dbraw/zinc/67/87/59/1165678759.db2.gz ZMYMOYARDKEUOI-HUUCEWRRSA-N 1 3 322.453 0.681 20 0 DCADHO O=C(NCCCNCc1cnnn1[C@H]1CCC[NH2+]C1)C1CCC1 ZINC001580683775 1165686094 /nfs/dbraw/zinc/68/60/94/1165686094.db2.gz FGSTUTDBVHLJCL-AWEZNQCLSA-N 1 3 320.441 0.599 20 0 DCADHO O=c1[nH]c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2[nH]1 ZINC001580876905 1165749180 /nfs/dbraw/zinc/74/91/80/1165749180.db2.gz ZMRYTPPSOAMBNN-CYBMUJFWSA-N 1 3 301.394 0.748 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001583448344 1166256280 /nfs/dbraw/zinc/25/62/80/1166256280.db2.gz LYEWLZBAVLKPFF-NHQLZKDQSA-N 1 3 324.469 0.600 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001583448344 1166256282 /nfs/dbraw/zinc/25/62/82/1166256282.db2.gz LYEWLZBAVLKPFF-NHQLZKDQSA-N 1 3 324.469 0.600 20 0 DCADHO C[NH2+]CCOCC[N@H+](C)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001591219433 1167164176 /nfs/dbraw/zinc/16/41/76/1167164176.db2.gz YTTDOQXRRJGDRY-UHFFFAOYSA-N 1 3 304.398 0.577 20 0 DCADHO C[NH2+]CCOCC[N@@H+](C)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001591219433 1167164181 /nfs/dbraw/zinc/16/41/81/1167164181.db2.gz YTTDOQXRRJGDRY-UHFFFAOYSA-N 1 3 304.398 0.577 20 0 DCADHO COc1ccc(C[NH2+]CCOCC[NH+](C)C)cc1-c1nnn[n-]1 ZINC001591599456 1167335964 /nfs/dbraw/zinc/33/59/64/1167335964.db2.gz JVTMAGVNJGVIQM-UHFFFAOYSA-N 1 3 320.397 0.543 20 0 DCADHO COc1ccc(C[NH2+]CCOCC[NH+](C)C)cc1-c1nn[n-]n1 ZINC001591599456 1167335978 /nfs/dbraw/zinc/33/59/78/1167335978.db2.gz JVTMAGVNJGVIQM-UHFFFAOYSA-N 1 3 320.397 0.543 20 0 DCADHO c1cc(-c2nnn[n-]2)cc2c1CC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC001609615146 1171046975 /nfs/dbraw/zinc/04/69/75/1171046975.db2.gz IETKNECDMRTSRR-OAHLLOKOSA-N 1 3 313.409 0.349 20 0 DCADHO c1cc(-c2nn[n-]n2)cc2c1CC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC001609615146 1171046981 /nfs/dbraw/zinc/04/69/81/1171046981.db2.gz IETKNECDMRTSRR-OAHLLOKOSA-N 1 3 313.409 0.349 20 0 DCADHO COC[C@@](C)(O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001645599215 1172070869 /nfs/dbraw/zinc/07/08/69/1172070869.db2.gz VCXCCWMEPPRZLA-MRXNPFEDSA-N 1 3 313.442 0.059 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1CCCCC[NH2+]1 ZINC001646522387 1172413518 /nfs/dbraw/zinc/41/35/18/1172413518.db2.gz OLYPPCVVWYVTAU-ZNMIVQPWSA-N 1 3 310.442 0.681 20 0 DCADHO CN(C)CCN(C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CCCC1 ZINC001646751355 1172510469 /nfs/dbraw/zinc/51/04/69/1172510469.db2.gz KABXLRGMXHAJEA-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2cnn3cc(CC[NH3+])cnc23)CCN1C ZINC001646800337 1172540889 /nfs/dbraw/zinc/54/08/89/1172540889.db2.gz OGGVUUFWYYEUQN-MFKMUULPSA-N 1 3 302.382 0.053 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001646809976 1172545345 /nfs/dbraw/zinc/54/53/45/1172545345.db2.gz JANYYEHXYKNPAK-IOASZLSFSA-N 1 3 319.405 0.469 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC001646955406 1172600138 /nfs/dbraw/zinc/60/01/38/1172600138.db2.gz FRKUKXMPWZGFFY-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC001646955406 1172600141 /nfs/dbraw/zinc/60/01/41/1172600141.db2.gz FRKUKXMPWZGFFY-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO CC(C)[C@H]1CN(C(=O)CN(CC[NH3+])Cc2ccccc2)CCN1 ZINC001647244296 1172760682 /nfs/dbraw/zinc/76/06/82/1172760682.db2.gz SNLGYLJMTFLVSS-QGZVFWFLSA-N 1 3 318.465 0.904 20 0 DCADHO [NH3+]CC[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001647576437 1172979778 /nfs/dbraw/zinc/97/97/78/1172979778.db2.gz RIIWIMKVDKSEKR-ZFWWWQNUSA-N 1 3 310.442 0.620 20 0 DCADHO CCOC(=O)c1cc(CNCC2(O)CC[NH+](C(C)C)CC2)[nH]n1 ZINC001649855720 1173263079 /nfs/dbraw/zinc/26/30/79/1173263079.db2.gz SPLJOZYRGOCMQT-UHFFFAOYSA-N 1 3 324.425 0.911 20 0 DCADHO C[C@@H]1C[C@@H](NCCc2nnc3c(=O)n(C)ccn23)CC[N@@H+]1C ZINC001649990152 1173362802 /nfs/dbraw/zinc/36/28/02/1173362802.db2.gz XHZVYYSWIFANPY-NEPJUHHUSA-N 1 3 304.398 0.043 20 0 DCADHO C[C@@H]1C[C@@H](NCCc2nnc3c(=O)n(C)ccn23)CC[N@H+]1C ZINC001649990152 1173362807 /nfs/dbraw/zinc/36/28/07/1173362807.db2.gz XHZVYYSWIFANPY-NEPJUHHUSA-N 1 3 304.398 0.043 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(C2CC[NH2+]CC2)CC1 ZINC001650336838 1173574573 /nfs/dbraw/zinc/57/45/73/1173574573.db2.gz QRFQRSKXORBPRO-HUUCEWRRSA-N 1 3 307.438 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N1CCc2[nH]cnc2C12CC[NH2+]CC2 ZINC001650381638 1173604882 /nfs/dbraw/zinc/60/48/82/1173604882.db2.gz DNLYUYSDGWHVSR-UHFFFAOYSA-N 1 3 305.426 0.713 20 0 DCADHO CC(C)N(C)CC(=O)N1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC001650381638 1173604884 /nfs/dbraw/zinc/60/48/84/1173604884.db2.gz DNLYUYSDGWHVSR-UHFFFAOYSA-N 1 3 305.426 0.713 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001650441234 1173642775 /nfs/dbraw/zinc/64/27/75/1173642775.db2.gz DROFFJVAZRVUSU-GLQYFDAESA-N 1 3 311.401 0.761 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+](CC)[C@H]1CCN(C)C1=O)N(C)C ZINC001660614204 1174024786 /nfs/dbraw/zinc/02/47/86/1174024786.db2.gz QQQNWNOUFNAVLD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+](CC)[C@H]1CCN(C)C1=O)N(C)C ZINC001660614204 1174024799 /nfs/dbraw/zinc/02/47/99/1174024799.db2.gz QQQNWNOUFNAVLD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(N)=O)N(CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001660744171 1174045157 /nfs/dbraw/zinc/04/51/57/1174045157.db2.gz AHIDHRIFAZQABG-CQSZACIVSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN(C)C1CCC1 ZINC001666922121 1174647957 /nfs/dbraw/zinc/64/79/57/1174647957.db2.gz YYDIOTLHXGAGAI-ZDUSSCGKSA-N 1 3 308.430 0.199 20 0 DCADHO CCn1nncc1C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214773 1174769060 /nfs/dbraw/zinc/76/90/60/1174769060.db2.gz OUYNLEJIJQICGZ-ZIAGYGMSSA-N 1 3 322.457 0.624 20 0 DCADHO C[C@@H](CCNCC(=O)Nc1ccon1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309365 1174781029 /nfs/dbraw/zinc/78/10/29/1174781029.db2.gz HYDFSKWTLLXGGR-RYUDHWBXSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@@H](CCNCC(=O)Nc1ccon1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668309365 1174781031 /nfs/dbraw/zinc/78/10/31/1174781031.db2.gz HYDFSKWTLLXGGR-RYUDHWBXSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@H](C[NH2+]CCO[C@@H]1CC1(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001669312745 1174919371 /nfs/dbraw/zinc/91/93/71/1174919371.db2.gz GRLLXJIOZGXDNR-VXGBXAGGSA-N 1 3 319.396 0.989 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001670095242 1174981310 /nfs/dbraw/zinc/98/13/10/1174981310.db2.gz DIWLJKFCTHSGOT-OAHLLOKOSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCc2cnn(C)c2)C1 ZINC001670245895 1174996236 /nfs/dbraw/zinc/99/62/36/1174996236.db2.gz IOFNZGZECSRXBF-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001676694971 1175477862 /nfs/dbraw/zinc/47/78/62/1175477862.db2.gz VDYDWGRGCKDNQS-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCOCCN(C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001677169572 1175542958 /nfs/dbraw/zinc/54/29/58/1175542958.db2.gz UYGUDXHPNLPRJX-OAHLLOKOSA-N 1 3 315.458 0.116 20 0 DCADHO CN(CCCCCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001689159108 1176717767 /nfs/dbraw/zinc/71/77/67/1176717767.db2.gz KMWJATCGCAHZHW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCN1CCCC1=O ZINC001698768419 1177643734 /nfs/dbraw/zinc/64/37/34/1177643734.db2.gz OOZUTMCZMSSYLQ-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001699105179 1177860238 /nfs/dbraw/zinc/86/02/38/1177860238.db2.gz DLFRJEQWDNTORF-GFCCVEGCSA-N 1 3 308.430 0.284 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001699280193 1178022672 /nfs/dbraw/zinc/02/26/72/1178022672.db2.gz RRMDBCJMVSZYDR-DHCBQETCSA-N 1 3 308.426 0.011 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC/C=C/C[NH2+]CCO)C1 ZINC001699309548 1178053528 /nfs/dbraw/zinc/05/35/28/1178053528.db2.gz UFZHWTUPVNEVSB-MBVDDHJVSA-N 1 3 301.406 0.453 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)C1(C[NH+](C)C)CC1 ZINC001699530193 1178183935 /nfs/dbraw/zinc/18/39/35/1178183935.db2.gz QJLAUSSUBXEEFG-UHFFFAOYSA-N 1 3 311.455 0.818 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001700822123 1178764324 /nfs/dbraw/zinc/76/43/24/1178764324.db2.gz NWLSWCMBRARJQB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCOCCN1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001701059157 1178910760 /nfs/dbraw/zinc/91/07/60/1178910760.db2.gz TXWWEZSBRVKDPD-UHFFFAOYSA-N 1 3 307.438 0.867 20 0 DCADHO CC[C@H](C(N)=O)N(CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001713021612 1180631340 /nfs/dbraw/zinc/63/13/40/1180631340.db2.gz WIXNEDDDMVAMKM-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001713634619 1180982215 /nfs/dbraw/zinc/98/22/15/1180982215.db2.gz ZANBZMGFEFMJKN-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CC(N)=O ZINC001713688461 1181017225 /nfs/dbraw/zinc/01/72/25/1181017225.db2.gz RVDLAGOELPFSCD-CQSZACIVSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CC(N)=O ZINC001713688461 1181017229 /nfs/dbraw/zinc/01/72/29/1181017229.db2.gz RVDLAGOELPFSCD-CQSZACIVSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001714747589 1181522612 /nfs/dbraw/zinc/52/26/12/1181522612.db2.gz FJLHGSYFROLXHR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]CCn2cncn2)CCCC1)N(C)C ZINC001715107720 1181691530 /nfs/dbraw/zinc/69/15/30/1181691530.db2.gz WNFIFUSXUSPUIH-AWEZNQCLSA-N 1 3 322.457 0.637 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001715679698 1181939171 /nfs/dbraw/zinc/93/91/71/1181939171.db2.gz WIENUCZZIIKTMH-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001715906892 1182092979 /nfs/dbraw/zinc/09/29/79/1182092979.db2.gz GKJJYWISXKOQHU-YUKKFKLSSA-N 1 3 318.425 0.123 20 0 DCADHO C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CCCC[NH+](C)C ZINC001716000018 1182137940 /nfs/dbraw/zinc/13/79/40/1182137940.db2.gz FHKYTDQIRVIEOI-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(CC)c1)C(=O)[C@@H]1CCCN1C ZINC001716209953 1182254913 /nfs/dbraw/zinc/25/49/13/1182254913.db2.gz BGOQTTJIFFBJNB-INIZCTEOSA-N 1 3 321.469 0.978 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001716378852 1182366257 /nfs/dbraw/zinc/36/62/57/1182366257.db2.gz MNPOMCDZTMQZNL-IYKSTZQJSA-N 1 3 324.469 0.601 20 0 DCADHO COCCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001717013003 1182622936 /nfs/dbraw/zinc/62/29/36/1182622936.db2.gz TYILAZCMYRVLEW-HRCADAONSA-N 1 3 309.454 0.755 20 0 DCADHO COCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001717013003 1182622941 /nfs/dbraw/zinc/62/29/41/1182622941.db2.gz TYILAZCMYRVLEW-HRCADAONSA-N 1 3 309.454 0.755 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)n[nH]1 ZINC001717291481 1182769478 /nfs/dbraw/zinc/76/94/78/1182769478.db2.gz YQMPEEKZVKYTRG-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CN(C)C1(C(=O)N(C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001720485715 1183625596 /nfs/dbraw/zinc/62/55/96/1183625596.db2.gz JRDCJFDGPIBVNR-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001720485715 1183625599 /nfs/dbraw/zinc/62/55/99/1183625599.db2.gz JRDCJFDGPIBVNR-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001720520538 1183638143 /nfs/dbraw/zinc/63/81/43/1183638143.db2.gz FIVMOKIIKNZHRZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001720520538 1183638145 /nfs/dbraw/zinc/63/81/45/1183638145.db2.gz FIVMOKIIKNZHRZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001723124132 1184264010 /nfs/dbraw/zinc/26/40/10/1184264010.db2.gz USQNRRKFJMKNGF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001724815300 1184570027 /nfs/dbraw/zinc/57/00/27/1184570027.db2.gz YIXHRRIIKASHBJ-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCOC1CCC1 ZINC001724940452 1184629958 /nfs/dbraw/zinc/62/99/58/1184629958.db2.gz ASIHJTIEXKUOQT-DOMZBBRYSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC/C=C\Cl)CC[N@@H+]1C ZINC001725695165 1184947358 /nfs/dbraw/zinc/94/73/58/1184947358.db2.gz LFNHEAMDKHSHIW-CNBHBECHSA-N 1 3 303.834 0.488 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC/C=C\Cl)CC[N@H+]1C ZINC001725695165 1184947362 /nfs/dbraw/zinc/94/73/62/1184947362.db2.gz LFNHEAMDKHSHIW-CNBHBECHSA-N 1 3 303.834 0.488 20 0 DCADHO COc1ccc(C[NH2+]CCN(C)C(=O)CN(C)C(C)C)cn1 ZINC001731988471 1185626898 /nfs/dbraw/zinc/62/68/98/1185626898.db2.gz XORVGWRJVFLQMU-UHFFFAOYSA-N 1 3 308.426 0.978 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)NCC1CC1 ZINC001731986097 1185627213 /nfs/dbraw/zinc/62/72/13/1185627213.db2.gz HVGODRJPZDTVJV-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cnns2)CC[N@@H+]1C ZINC001733101524 1186139098 /nfs/dbraw/zinc/13/90/98/1186139098.db2.gz MVIHURXXYKFTBO-DGCLKSJQSA-N 1 3 311.455 0.816 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2cnns2)CC[N@H+]1C ZINC001733101524 1186139104 /nfs/dbraw/zinc/13/91/04/1186139104.db2.gz MVIHURXXYKFTBO-DGCLKSJQSA-N 1 3 311.455 0.816 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(O)(C[NH2+]CCC2CC2)CC1 ZINC001733886873 1186486684 /nfs/dbraw/zinc/48/66/84/1186486684.db2.gz JWHIEQCNNGBUKK-UHFFFAOYSA-N 1 3 306.410 0.695 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001736952803 1187192683 /nfs/dbraw/zinc/19/26/83/1187192683.db2.gz NALBBYFWCRWXBH-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001736952803 1187192687 /nfs/dbraw/zinc/19/26/87/1187192687.db2.gz NALBBYFWCRWXBH-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)N(C)C ZINC001742424456 1187980223 /nfs/dbraw/zinc/98/02/23/1187980223.db2.gz GGKUGJOKKXGVPE-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)N(C)C ZINC001742424456 1187980230 /nfs/dbraw/zinc/98/02/30/1187980230.db2.gz GGKUGJOKKXGVPE-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001752222454 1188405128 /nfs/dbraw/zinc/40/51/28/1188405128.db2.gz FKGQKUWNDKHCGO-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001752222454 1188405129 /nfs/dbraw/zinc/40/51/29/1188405129.db2.gz FKGQKUWNDKHCGO-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001753040466 1188481412 /nfs/dbraw/zinc/48/14/12/1188481412.db2.gz XYZKGLZEQQQJDE-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001753040466 1188481414 /nfs/dbraw/zinc/48/14/14/1188481414.db2.gz XYZKGLZEQQQJDE-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754071390 1188728367 /nfs/dbraw/zinc/72/83/67/1188728367.db2.gz MPKGSBCTOMPBRI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754071390 1188728370 /nfs/dbraw/zinc/72/83/70/1188728370.db2.gz MPKGSBCTOMPBRI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](C(=O)NC/C=C\CN[C@@H]1CCNC1=O)[NH+]1CCCCCC1 ZINC001754178569 1188773035 /nfs/dbraw/zinc/77/30/35/1188773035.db2.gz QKNGWYNGGCOTGQ-ZYDHHDLOSA-N 1 3 322.453 0.401 20 0 DCADHO CN(CCC[NH2+]CC(N)=O)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001754395940 1188844434 /nfs/dbraw/zinc/84/44/34/1188844434.db2.gz VGLXLFYAIODCAZ-OAHLLOKOSA-N 1 3 316.421 0.122 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]CC(=O)NC(C)(C)C ZINC001754416000 1188850263 /nfs/dbraw/zinc/85/02/63/1188850263.db2.gz HHGWVVHQMCLTMG-UHFFFAOYSA-N 1 3 314.474 0.679 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001754531616 1188875781 /nfs/dbraw/zinc/87/57/81/1188875781.db2.gz HZGAMMFBUHPPFX-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001758031284 1189688624 /nfs/dbraw/zinc/68/86/24/1189688624.db2.gz IRWYZJAFZYRVRF-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)NCCNC(=O)CC[NH+]1CCCCC1)C1CCC1 ZINC001758033029 1189690010 /nfs/dbraw/zinc/69/00/10/1189690010.db2.gz PMRBMSHZHXKOHS-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001758035199 1189690413 /nfs/dbraw/zinc/69/04/13/1189690413.db2.gz NFTZNSZXUNLXFB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)C2(N(C)C)CCC2)C1 ZINC001758035199 1189690415 /nfs/dbraw/zinc/69/04/15/1189690415.db2.gz NFTZNSZXUNLXFB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001771836464 1190520936 /nfs/dbraw/zinc/52/09/36/1190520936.db2.gz NIGBKYSAWRHPPG-UHFFFAOYSA-N 1 3 323.485 0.502 20 0 DCADHO Cn1cc([C@@H]2C[C@@H](NC[C@@H](O)C[NH+]3CCCC3)CCO2)cn1 ZINC001772056351 1190601220 /nfs/dbraw/zinc/60/12/20/1190601220.db2.gz YMQFHBUJTHUKGZ-XHSDSOJGSA-N 1 3 308.426 0.687 20 0 DCADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc2c(n1)CNC2 ZINC001164922355 721862888 /nfs/dbraw/zinc/86/28/88/721862888.db2.gz FWTIZXCFVOOQMW-LSDHHAIUSA-N 1 3 302.426 0.294 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001106910849 751554623 /nfs/dbraw/zinc/55/46/23/751554623.db2.gz RHNWALYHYAVBEP-HUUCEWRRSA-N 1 3 322.457 0.304 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC(C)CC2)CC[N@@H+]1C ZINC001127685190 751628347 /nfs/dbraw/zinc/62/83/47/751628347.db2.gz GYARAWMXJRFDSZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC(C)CC2)CC[N@H+]1C ZINC001127685190 751628354 /nfs/dbraw/zinc/62/83/54/751628354.db2.gz GYARAWMXJRFDSZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)C(N)=O ZINC001107042321 751787537 /nfs/dbraw/zinc/78/75/37/751787537.db2.gz HEJKTPVJDOGRNI-MGPQQGTHSA-N 1 3 312.458 0.275 20 0 DCADHO CN(C)C(=O)CN1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530576 752105963 /nfs/dbraw/zinc/10/59/63/752105963.db2.gz AELHQYVQWKTTDO-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240238 747036141 /nfs/dbraw/zinc/03/61/41/747036141.db2.gz FYIVGGBLESULRW-CQSZACIVSA-N 1 3 311.470 0.975 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC001167260966 747045582 /nfs/dbraw/zinc/04/55/82/747045582.db2.gz SJSIESQGLQRYTO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001167480715 747277976 /nfs/dbraw/zinc/27/79/76/747277976.db2.gz RYWCLPNJDOBIPL-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249827 747425451 /nfs/dbraw/zinc/42/54/51/747425451.db2.gz YVZDHIBIPUEJKU-LSDHHAIUSA-N 1 3 307.438 0.794 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001167627480 747436064 /nfs/dbraw/zinc/43/60/64/747436064.db2.gz OKYFVMDMNOLBKW-KGLIPLIRSA-N 1 3 310.442 0.234 20 0 DCADHO Cn1ccc(CNCCCNC(=O)CC2CC[NH+](C)CC2)n1 ZINC001167655490 747451598 /nfs/dbraw/zinc/45/15/98/747451598.db2.gz RKZGYJMIGOCAMZ-UHFFFAOYSA-N 1 3 307.442 0.748 20 0 DCADHO CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001100729848 747793966 /nfs/dbraw/zinc/79/39/66/747793966.db2.gz SENUZGOTAVIDES-YMAMQOFZSA-N 1 3 324.469 0.480 20 0 DCADHO C[N@H+]1C[C@H]2CN(CC3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001207447492 747862089 /nfs/dbraw/zinc/86/20/89/747862089.db2.gz AHGLAOGAAKKDNG-OKILXGFUSA-N 1 3 301.456 0.151 20 0 DCADHO C[N@@H+]1C[C@H]2CN(CC3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001207447492 747862097 /nfs/dbraw/zinc/86/20/97/747862097.db2.gz AHGLAOGAAKKDNG-OKILXGFUSA-N 1 3 301.456 0.151 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCO)C2)C1 ZINC001112530013 748318875 /nfs/dbraw/zinc/31/88/75/748318875.db2.gz ZCDLBSOMNTZUCH-RYRKJORJSA-N 1 3 323.481 0.929 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161259213 748507296 /nfs/dbraw/zinc/50/72/96/748507296.db2.gz ZXTUVGZZGHRTLB-ZDUSSCGKSA-N 1 3 313.442 0.894 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC001203443066 749107163 /nfs/dbraw/zinc/10/71/63/749107163.db2.gz PTRXXFPUTPHAEK-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC001203443062 749107475 /nfs/dbraw/zinc/10/74/75/749107475.db2.gz PTRXXFPUTPHAEK-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105865 749241284 /nfs/dbraw/zinc/24/12/84/749241284.db2.gz FRLXBEUWKHLNAW-OAGGEKHMSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105865 749241293 /nfs/dbraw/zinc/24/12/93/749241293.db2.gz FRLXBEUWKHLNAW-OAGGEKHMSA-N 1 3 309.454 0.897 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088323827 749368582 /nfs/dbraw/zinc/36/85/82/749368582.db2.gz ZUTGHMVBQHBTNK-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088323827 749368587 /nfs/dbraw/zinc/36/85/87/749368587.db2.gz ZUTGHMVBQHBTNK-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CN(CC(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001088327769 749371373 /nfs/dbraw/zinc/37/13/73/749371373.db2.gz WHFWMJQSGJAGAA-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254226 750927782 /nfs/dbraw/zinc/92/77/82/750927782.db2.gz DFUFATTUEAROAB-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254226 750927783 /nfs/dbraw/zinc/92/77/83/750927783.db2.gz DFUFATTUEAROAB-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001106256006 751068123 /nfs/dbraw/zinc/06/81/23/751068123.db2.gz TYWGZCFQFPERLL-NFAWXSAZSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001127343883 751156380 /nfs/dbraw/zinc/15/63/80/751156380.db2.gz CKUQSSCCZDQGKY-HIFRSBDPSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001127343883 751156383 /nfs/dbraw/zinc/15/63/83/751156383.db2.gz CKUQSSCCZDQGKY-HIFRSBDPSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106779546 751275252 /nfs/dbraw/zinc/27/52/52/751275252.db2.gz RGOTYGNIKNFNFI-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798602 751285198 /nfs/dbraw/zinc/28/51/98/751285198.db2.gz MMLYGDHPWRLHQH-BZUAXINKSA-N 1 3 311.470 0.783 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001077751937 752461352 /nfs/dbraw/zinc/46/13/52/752461352.db2.gz NCEYGVAANUKJLB-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001077751937 752461354 /nfs/dbraw/zinc/46/13/54/752461354.db2.gz NCEYGVAANUKJLB-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001077756681 752468508 /nfs/dbraw/zinc/46/85/08/752468508.db2.gz VQBLRPJDLBIRAQ-CFVMTHIKSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100319508 752638106 /nfs/dbraw/zinc/63/81/06/752638106.db2.gz PLXHIELHEWEUQH-NRXISQOPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC001044857035 752903980 /nfs/dbraw/zinc/90/39/80/752903980.db2.gz DPXCSXMUPAPTMH-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078228588 753123824 /nfs/dbraw/zinc/12/38/24/753123824.db2.gz WPBNKQFCLJBYAX-HZPDHXFCSA-N 1 3 305.422 0.933 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001078230423 753125158 /nfs/dbraw/zinc/12/51/58/753125158.db2.gz AJUVKJTYYPDHMS-IAGOWNOFSA-N 1 3 317.433 0.933 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001045308983 753138455 /nfs/dbraw/zinc/13/84/55/753138455.db2.gz LQTZZYZHMTVVKI-ZBFHGGJFSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001045308983 753138457 /nfs/dbraw/zinc/13/84/57/753138457.db2.gz LQTZZYZHMTVVKI-ZBFHGGJFSA-N 1 3 319.453 0.761 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC2CC2)C1)C1CC1 ZINC001078412241 753231784 /nfs/dbraw/zinc/23/17/84/753231784.db2.gz WUXXYBDEEVSZBM-HZPDHXFCSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001046063644 753457726 /nfs/dbraw/zinc/45/77/26/753457726.db2.gz SYEZCJHPCYOMNF-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001046063644 753457728 /nfs/dbraw/zinc/45/77/28/753457728.db2.gz SYEZCJHPCYOMNF-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001046891385 754003587 /nfs/dbraw/zinc/00/35/87/754003587.db2.gz IIGNNELQCIJPRU-CZUORRHYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@]1(C[NH2+][C@@H]2CCCNC2=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001046903471 754011530 /nfs/dbraw/zinc/01/15/30/754011530.db2.gz QUPBDAXMRORMLD-CZUORRHYSA-N 1 3 319.409 0.059 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001128783480 754284425 /nfs/dbraw/zinc/28/44/25/754284425.db2.gz HXPJUGPHKDXTCJ-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001128783480 754284426 /nfs/dbraw/zinc/28/44/26/754284426.db2.gz HXPJUGPHKDXTCJ-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001048395119 754738339 /nfs/dbraw/zinc/73/83/39/754738339.db2.gz ZUHWPINCYNQDTC-TZMCWYRMSA-N 1 3 316.409 0.570 20 0 DCADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048587316 754814991 /nfs/dbraw/zinc/81/49/91/754814991.db2.gz KITZCECWRHTJLX-APIJFGDWSA-N 1 3 322.453 0.043 20 0 DCADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001048587316 754814994 /nfs/dbraw/zinc/81/49/94/754814994.db2.gz KITZCECWRHTJLX-APIJFGDWSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1)N(C)C ZINC001048887800 754998292 /nfs/dbraw/zinc/99/82/92/754998292.db2.gz DUJBXXVWGBTUGD-OWCLPIDISA-N 1 3 319.453 0.614 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1)N(C)C ZINC001048887800 754998297 /nfs/dbraw/zinc/99/82/97/754998297.db2.gz DUJBXXVWGBTUGD-OWCLPIDISA-N 1 3 319.453 0.614 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)C1 ZINC001049055726 755093987 /nfs/dbraw/zinc/09/39/87/755093987.db2.gz HTGDXMBOOHVLIH-GASCZTMLSA-N 1 3 309.454 0.491 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)C1 ZINC001049055726 755093994 /nfs/dbraw/zinc/09/39/94/755093994.db2.gz HTGDXMBOOHVLIH-GASCZTMLSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]3C2)C1 ZINC001049058965 755096483 /nfs/dbraw/zinc/09/64/83/755096483.db2.gz KUGCSYHJDWDIGO-VVLHAWIVSA-N 1 3 321.465 0.755 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3C2)C1 ZINC001049058965 755096485 /nfs/dbraw/zinc/09/64/85/755096485.db2.gz KUGCSYHJDWDIGO-VVLHAWIVSA-N 1 3 321.465 0.755 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)c1 ZINC001049232432 755195443 /nfs/dbraw/zinc/19/54/43/755195443.db2.gz VDFWNCJBAYWHCC-CALCHBBNSA-N 1 3 317.433 0.744 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)c1 ZINC001049232432 755195446 /nfs/dbraw/zinc/19/54/46/755195446.db2.gz VDFWNCJBAYWHCC-CALCHBBNSA-N 1 3 317.433 0.744 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052869268 755848110 /nfs/dbraw/zinc/84/81/10/755848110.db2.gz CFWFQQOSWVLRRM-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723842 755980125 /nfs/dbraw/zinc/98/01/25/755980125.db2.gz MVGQZGTYYPSTPV-KLHDSHLOSA-N 1 3 319.453 0.660 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723842 755980128 /nfs/dbraw/zinc/98/01/28/755980128.db2.gz MVGQZGTYYPSTPV-KLHDSHLOSA-N 1 3 319.453 0.660 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072317037 762437742 /nfs/dbraw/zinc/43/77/42/762437742.db2.gz JNOPDPTVPHMCHZ-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080629394 756269974 /nfs/dbraw/zinc/26/99/74/756269974.db2.gz HRDKRKFPGMPTHS-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1)N(C)C ZINC001054148695 756384998 /nfs/dbraw/zinc/38/49/98/756384998.db2.gz TXULXKAZGGUEBQ-RDJZCZTQSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1)N(C)C ZINC001054148695 756385004 /nfs/dbraw/zinc/38/50/04/756385004.db2.gz TXULXKAZGGUEBQ-RDJZCZTQSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935361 756392191 /nfs/dbraw/zinc/39/21/91/756392191.db2.gz RILAGGGFKKYBSH-IIAWOOMASA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935361 756392196 /nfs/dbraw/zinc/39/21/96/756392196.db2.gz RILAGGGFKKYBSH-IIAWOOMASA-N 1 3 319.453 0.351 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001082748151 757235648 /nfs/dbraw/zinc/23/56/48/757235648.db2.gz YDKXCZSDBXNLCO-BMFZPTHFSA-N 1 3 321.469 0.739 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCn1cccn1 ZINC001082741040 757252146 /nfs/dbraw/zinc/25/21/46/757252146.db2.gz NPKBZOJMXDASIM-BZUAXINKSA-N 1 3 319.453 0.804 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937021 757557165 /nfs/dbraw/zinc/55/71/65/757557165.db2.gz ITVQMOPRLPJIBB-SJORKVTESA-N 1 3 321.465 0.680 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+]([C@H](CC)C(N)=O)CC2)N(C)C ZINC001050565170 757848767 /nfs/dbraw/zinc/84/87/67/757848767.db2.gz WZBPQWGCEQSYPT-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3c(n2)CNCC3)O1 ZINC001170272919 762588028 /nfs/dbraw/zinc/58/80/28/762588028.db2.gz MCZHDRBFFQYZMO-IIAWOOMASA-N 1 3 306.410 0.864 20 0 DCADHO COC[C@H](C)[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001050681514 757962689 /nfs/dbraw/zinc/96/26/89/757962689.db2.gz LCUBVRPBUIZDEO-ZDUSSCGKSA-N 1 3 306.410 0.912 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC[N@@H+]1C ZINC001085203321 758755043 /nfs/dbraw/zinc/75/50/43/758755043.db2.gz BZBYXUJQGGGGSZ-REWJHTLYSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC[N@H+]1C ZINC001085203321 758755047 /nfs/dbraw/zinc/75/50/47/758755047.db2.gz BZBYXUJQGGGGSZ-REWJHTLYSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085224533 758767947 /nfs/dbraw/zinc/76/79/47/758767947.db2.gz JPRVGGXXNVZBIO-RBSFLKMASA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085224533 758767950 /nfs/dbraw/zinc/76/79/50/758767950.db2.gz JPRVGGXXNVZBIO-RBSFLKMASA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001085295411 758803649 /nfs/dbraw/zinc/80/36/49/758803649.db2.gz FJCQHUIBUSYWOO-MGPQQGTHSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC[N@@H+]1C ZINC001085309517 758810140 /nfs/dbraw/zinc/81/01/40/758810140.db2.gz UBNVKXBFECYMGQ-IGQOVBAYSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC[N@H+]1C ZINC001085309517 758810148 /nfs/dbraw/zinc/81/01/48/758810148.db2.gz UBNVKXBFECYMGQ-IGQOVBAYSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1)N(C)C ZINC001051680024 758855655 /nfs/dbraw/zinc/85/56/55/758855655.db2.gz JXYNHJVJLBPCHC-JKSUJKDBSA-N 1 3 320.437 0.739 20 0 DCADHO CC1CC(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC001051848265 758987556 /nfs/dbraw/zinc/98/75/56/758987556.db2.gz OECBOFSNKGGNGZ-PIMMBPRGSA-N 1 3 306.410 0.815 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001051930186 759042276 /nfs/dbraw/zinc/04/22/76/759042276.db2.gz JTTOHSOUKCBAOP-HOTGVXAUSA-N 1 3 318.421 0.350 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3cccnc3)C2)C1 ZINC001051930186 759042281 /nfs/dbraw/zinc/04/22/81/759042281.db2.gz JTTOHSOUKCBAOP-HOTGVXAUSA-N 1 3 318.421 0.350 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073299 759159509 /nfs/dbraw/zinc/15/95/09/759159509.db2.gz HNSJWPWGOBLNMM-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107124 759183931 /nfs/dbraw/zinc/18/39/31/759183931.db2.gz BHSJTCBPCMWIIA-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107124 759183937 /nfs/dbraw/zinc/18/39/37/759183937.db2.gz BHSJTCBPCMWIIA-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732148 759245114 /nfs/dbraw/zinc/24/51/14/759245114.db2.gz SVAMSYSZHKIJHC-GARNVTTQSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732148 759245122 /nfs/dbraw/zinc/24/51/22/759245122.db2.gz SVAMSYSZHKIJHC-GARNVTTQSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@H]1CC[N@@H+]1CC1CC1)C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001085732148 759245128 /nfs/dbraw/zinc/24/51/28/759245128.db2.gz SVAMSYSZHKIJHC-GARNVTTQSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@H]1CC[N@H+]1CC1CC1)C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001085732148 759245135 /nfs/dbraw/zinc/24/51/35/759245135.db2.gz SVAMSYSZHKIJHC-GARNVTTQSA-N 1 3 319.449 0.792 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001147823909 767852219 /nfs/dbraw/zinc/85/22/19/767852219.db2.gz GOTVSTKJGZIVSP-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147823253 767852438 /nfs/dbraw/zinc/85/24/38/767852438.db2.gz CITJCKGQTHONIE-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001147824723 767853464 /nfs/dbraw/zinc/85/34/64/767853464.db2.gz NBTCSOXGLHSEHI-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001147878129 767870249 /nfs/dbraw/zinc/87/02/49/767870249.db2.gz SYECZLWNTKRIHD-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001147878129 767870257 /nfs/dbraw/zinc/87/02/57/767870257.db2.gz SYECZLWNTKRIHD-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001147884573 767872595 /nfs/dbraw/zinc/87/25/95/767872595.db2.gz FTOFIDRIGQVMRW-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001147884573 767872603 /nfs/dbraw/zinc/87/26/03/767872603.db2.gz FTOFIDRIGQVMRW-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](CCO)CCOC)CC1)N(C)C ZINC001098404215 759666543 /nfs/dbraw/zinc/66/65/43/759666543.db2.gz IMCIPJDEBFWGPW-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](CCO)CCOC)CC1)N(C)C ZINC001098404215 759666547 /nfs/dbraw/zinc/66/65/47/759666547.db2.gz IMCIPJDEBFWGPW-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001129326765 759760657 /nfs/dbraw/zinc/76/06/57/759760657.db2.gz CQZWSEKHSWZPSV-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001129326765 759760660 /nfs/dbraw/zinc/76/06/60/759760660.db2.gz CQZWSEKHSWZPSV-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CCOC(=O)COCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001168893855 760488795 /nfs/dbraw/zinc/48/87/95/760488795.db2.gz MXBIXKVQEANDAC-UHFFFAOYSA-N 1 3 315.458 0.524 20 0 DCADHO CCOC(=O)COCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001168893855 760488799 /nfs/dbraw/zinc/48/87/99/760488799.db2.gz MXBIXKVQEANDAC-UHFFFAOYSA-N 1 3 315.458 0.524 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360433 767972342 /nfs/dbraw/zinc/97/23/42/767972342.db2.gz UVHCUHXPDFLMEL-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360401 767972352 /nfs/dbraw/zinc/97/23/52/767972352.db2.gz SNXYKVJUXIZLMN-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360038 767972476 /nfs/dbraw/zinc/97/24/76/767972476.db2.gz LDJIJWXAJLTSPT-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CC(=O)N1CC[C@@H](N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C)C1 ZINC001169509763 760701173 /nfs/dbraw/zinc/70/11/73/760701173.db2.gz IENLXEZIMFYWFW-OLZOCXBDSA-N 1 3 314.430 0.787 20 0 DCADHO Cc1cc(CNCCCNC(=O)COC2CC[NH+](C)CC2)on1 ZINC001169541168 760717837 /nfs/dbraw/zinc/71/78/37/760717837.db2.gz DUZSTCZAKIUMNX-UHFFFAOYSA-N 1 3 324.425 0.690 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(CC)CC ZINC001148578230 768019748 /nfs/dbraw/zinc/01/97/48/768019748.db2.gz RGUVNWBZQCJEEX-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(CC)CC ZINC001148578230 768019752 /nfs/dbraw/zinc/01/97/52/768019752.db2.gz RGUVNWBZQCJEEX-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001109417591 761403601 /nfs/dbraw/zinc/40/36/01/761403601.db2.gz HGBBZNGLOMHXIE-FZKCQIBNSA-N 1 3 309.454 0.965 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001109417591 761403603 /nfs/dbraw/zinc/40/36/03/761403603.db2.gz HGBBZNGLOMHXIE-FZKCQIBNSA-N 1 3 309.454 0.965 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001070873844 761482081 /nfs/dbraw/zinc/48/20/81/761482081.db2.gz YADHQOFXVCIFLV-GDBMZVCRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](C)O)C1 ZINC001112567923 761696463 /nfs/dbraw/zinc/69/64/63/761696463.db2.gz OOQNCCYEFAVREK-ZOBUZTSGSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001071346550 761788560 /nfs/dbraw/zinc/78/85/60/761788560.db2.gz UQOHLDZSRKITGR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1cncn1C ZINC001129409986 762931260 /nfs/dbraw/zinc/93/12/60/762931260.db2.gz AADQKXHPWUBTFB-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1cncn1C ZINC001129409986 762931261 /nfs/dbraw/zinc/93/12/61/762931261.db2.gz AADQKXHPWUBTFB-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCN1CCCC1=O)N(C)C ZINC001129953831 763057724 /nfs/dbraw/zinc/05/77/24/763057724.db2.gz QUUKBHOBPGFDON-HNNXBMFYSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCc1cccc(C(N)=O)c1)[NH+](C)C ZINC001129947435 763065918 /nfs/dbraw/zinc/06/59/18/763065918.db2.gz ZSQWEDHWEPNHLY-HNNXBMFYSA-N 1 3 320.437 0.578 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CCC2CC2)C[C@H]1O)C1CCC1 ZINC001099880195 763095947 /nfs/dbraw/zinc/09/59/47/763095947.db2.gz WOKISDRBHSITRP-JKSUJKDBSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1O)C1CCC1 ZINC001099880195 763095954 /nfs/dbraw/zinc/09/59/54/763095954.db2.gz WOKISDRBHSITRP-JKSUJKDBSA-N 1 3 309.454 0.822 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001130047731 763103695 /nfs/dbraw/zinc/10/36/95/763103695.db2.gz PRKKNDOXHYSIBW-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186353 763164445 /nfs/dbraw/zinc/16/44/45/763164445.db2.gz GQYWNAIUJSBFPD-HIFRSBDPSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186353 763164447 /nfs/dbraw/zinc/16/44/47/763164447.db2.gz GQYWNAIUJSBFPD-HIFRSBDPSA-N 1 3 305.426 0.643 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CCCF)C[C@@H]2O)CC1 ZINC001099972084 763177250 /nfs/dbraw/zinc/17/72/50/763177250.db2.gz RAGSWSYCIYRADI-OLZOCXBDSA-N 1 3 301.406 0.239 20 0 DCADHO CC[C@H](C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1)N(C)C ZINC001130398626 763293755 /nfs/dbraw/zinc/29/37/55/763293755.db2.gz BBULQIAABJADBM-GXTWGEPZSA-N 1 3 323.441 0.148 20 0 DCADHO CC[C@H](C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1)N(C)C ZINC001130398626 763293761 /nfs/dbraw/zinc/29/37/61/763293761.db2.gz BBULQIAABJADBM-GXTWGEPZSA-N 1 3 323.441 0.148 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556680 763381580 /nfs/dbraw/zinc/38/15/80/763381580.db2.gz RYHUNEOFEXYOJG-UHFFFAOYSA-N 1 3 321.425 0.092 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100411854 763561761 /nfs/dbraw/zinc/56/17/61/763561761.db2.gz WRSRIBJYZMIWHR-HIFPTAJRSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001100442369 763581910 /nfs/dbraw/zinc/58/19/10/763581910.db2.gz DNINJKQAKIOQNM-YMAMQOFZSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O)N(C)C ZINC001171370100 768150229 /nfs/dbraw/zinc/15/02/29/768150229.db2.gz XREWBAHMIVWHSZ-OCCSQVGLSA-N 1 3 300.447 0.323 20 0 DCADHO Cc1nnsc1CNC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637567 763696092 /nfs/dbraw/zinc/69/60/92/763696092.db2.gz XYXONQHBDNZNFL-UHFFFAOYSA-N 1 3 311.455 0.783 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)N(C)CC)C1 ZINC001100769580 763773986 /nfs/dbraw/zinc/77/39/86/763773986.db2.gz QOSGOGAGGMJAPY-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](Nc1ccnc(N2CCC([NH3+])CC2)n1)[C@@H]1CNCCO1 ZINC001170561606 763823521 /nfs/dbraw/zinc/82/35/21/763823521.db2.gz FSXADDLNNSTCRP-YPMHNXCESA-N 1 3 306.414 0.193 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013747 768183082 /nfs/dbraw/zinc/18/30/82/768183082.db2.gz YXAFXFNNAXIOAY-UXLLHSPISA-N 1 3 309.454 0.755 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013747 768183087 /nfs/dbraw/zinc/18/30/87/768183087.db2.gz YXAFXFNNAXIOAY-UXLLHSPISA-N 1 3 309.454 0.755 20 0 DCADHO C[NH+](C)C1(CC(=O)NCCNCC(=O)N2CCCC2)CCCC1 ZINC001131834778 764069366 /nfs/dbraw/zinc/06/93/66/764069366.db2.gz GUPSWYMFXMBSGA-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCc1ccnn1C ZINC001132279478 764360419 /nfs/dbraw/zinc/36/04/19/764360419.db2.gz XLQWYHBJSSJAQN-LSDHHAIUSA-N 1 3 321.469 0.883 20 0 DCADHO CNC(=O)CN1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215772 764554134 /nfs/dbraw/zinc/55/41/34/764554134.db2.gz YIYDGFWAAPQXAO-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C ZINC001102473971 764656152 /nfs/dbraw/zinc/65/61/52/764656152.db2.gz YWMWYHYQBYGNNP-HZPDHXFCSA-N 1 3 321.469 0.909 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C ZINC001102473971 764656161 /nfs/dbraw/zinc/65/61/61/764656161.db2.gz YWMWYHYQBYGNNP-HZPDHXFCSA-N 1 3 321.469 0.909 20 0 DCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001102514334 764675937 /nfs/dbraw/zinc/67/59/37/764675937.db2.gz UKVQRWUJGDRKLT-QLFBSQMISA-N 1 3 324.469 0.101 20 0 DCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001102514334 764675942 /nfs/dbraw/zinc/67/59/42/764675942.db2.gz UKVQRWUJGDRKLT-QLFBSQMISA-N 1 3 324.469 0.101 20 0 DCADHO Cc1nccnc1C[NH2+]CCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132848855 764690841 /nfs/dbraw/zinc/69/08/41/764690841.db2.gz UJKZOMCHQHYGLW-HNNXBMFYSA-N 1 3 321.425 0.100 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998453 764772214 /nfs/dbraw/zinc/77/22/14/764772214.db2.gz ULLSPMSBQOIEGL-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C(=O)CNCCNC(=O)CCC[NH+](C)C)C(C)C ZINC001133040089 764798225 /nfs/dbraw/zinc/79/82/25/764798225.db2.gz AJMPSXYFIGJABW-UHFFFAOYSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102781801 764815030 /nfs/dbraw/zinc/81/50/30/764815030.db2.gz CAOVPKAMJSJQCZ-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@@H]1CCCN1C ZINC001102781801 764815034 /nfs/dbraw/zinc/81/50/34/764815034.db2.gz CAOVPKAMJSJQCZ-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001133091597 764821625 /nfs/dbraw/zinc/82/16/25/764821625.db2.gz SOPHDEKNTAJNLI-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(C)(C)C ZINC001133285746 764906100 /nfs/dbraw/zinc/90/61/00/764906100.db2.gz GWVUPVPOIFHICD-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CC[C@@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291678 764910488 /nfs/dbraw/zinc/91/04/88/764910488.db2.gz VXLBROOBMCAJQP-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO C[NH+](C)CCC(=O)NCCNC[C@H](O)c1ccc(F)cc1F ZINC001133294484 764911083 /nfs/dbraw/zinc/91/10/83/764911083.db2.gz KLPLLDCSYXCLCU-AWEZNQCLSA-N 1 3 315.364 0.656 20 0 DCADHO CC[C@H](C(=O)NCCN[C@H]1CCN(CC)C1=O)[NH+](CC)CC ZINC001133690556 765095620 /nfs/dbraw/zinc/09/56/20/765095620.db2.gz OQNIWRDOOJRNPV-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133689899 765095905 /nfs/dbraw/zinc/09/59/05/765095905.db2.gz FALJOKJTUUYMLH-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC001133850883 765170228 /nfs/dbraw/zinc/17/02/28/765170228.db2.gz QHNDVRLBLGQNPI-XJKSGUPXSA-N 1 3 323.412 0.907 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC001133850882 765170344 /nfs/dbraw/zinc/17/03/44/765170344.db2.gz QHNDVRLBLGQNPI-CZUORRHYSA-N 1 3 323.412 0.907 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001133846280 765180274 /nfs/dbraw/zinc/18/02/74/765180274.db2.gz XQTFPLLWCRMIFO-AWEZNQCLSA-N 1 3 307.442 0.493 20 0 DCADHO COc1cc(CNCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccn1 ZINC001133867198 765192663 /nfs/dbraw/zinc/19/26/63/765192663.db2.gz RLZOUJNFUMANRS-OCCSQVGLSA-N 1 3 306.410 0.494 20 0 DCADHO COc1cc(CNCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ccn1 ZINC001133867198 765192667 /nfs/dbraw/zinc/19/26/67/765192667.db2.gz RLZOUJNFUMANRS-OCCSQVGLSA-N 1 3 306.410 0.494 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C)N(C)C ZINC001133967907 765260715 /nfs/dbraw/zinc/26/07/15/765260715.db2.gz HMSKCZIXCRRJNO-OLZOCXBDSA-N 1 3 300.447 0.193 20 0 DCADHO NCC(C[NH3+])NCc1ccc(I)cc1 ZINC000695300776 765451990 /nfs/dbraw/zinc/45/19/90/765451990.db2.gz CQSCRGWWXSOQPF-UHFFFAOYSA-N 1 3 305.163 0.667 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001134583371 765581067 /nfs/dbraw/zinc/58/10/67/765581067.db2.gz JSHAHWUGKAQASY-STQMWFEESA-N 1 3 324.469 0.622 20 0 DCADHO CN1CCN(c2cc(C(=O)NCC[NH+]3CC=CC3)ccn2)CC1 ZINC001116192511 765847704 /nfs/dbraw/zinc/84/77/04/765847704.db2.gz MACJBBFMAYJTFS-UHFFFAOYSA-N 1 3 315.421 0.435 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C(N)=O ZINC001135474361 765939960 /nfs/dbraw/zinc/93/99/60/765939960.db2.gz OBKCCCCAAQBWEL-CHWSQXEVSA-N 1 3 300.447 0.323 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCOCCOC ZINC001135437467 765933209 /nfs/dbraw/zinc/93/32/09/765933209.db2.gz UXHVZRXXUHXSOX-UHFFFAOYSA-N 1 3 317.474 0.867 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135468978 765941443 /nfs/dbraw/zinc/94/14/43/765941443.db2.gz VMVQGLLEAIQKCQ-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135476175 765950618 /nfs/dbraw/zinc/95/06/18/765950618.db2.gz ITPIBHRPYDOZOP-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC001135512850 765966080 /nfs/dbraw/zinc/96/60/80/765966080.db2.gz AGZOYKXMMBUWCK-ZDUSSCGKSA-N 1 3 324.425 0.332 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC001135513479 765967723 /nfs/dbraw/zinc/96/77/23/765967723.db2.gz PFYPIZGOSXFILN-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001135743273 766085880 /nfs/dbraw/zinc/08/58/80/766085880.db2.gz HSCRBXNEKXCYOF-QWHCGFSZSA-N 1 3 300.447 0.289 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135980667 766193796 /nfs/dbraw/zinc/19/37/96/766193796.db2.gz RGMKDZHBILJAAR-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CN1CCN(C(=O)c2cccc(N[C@H](N)CCC[NH3+])c2)CC1 ZINC001170902892 766250912 /nfs/dbraw/zinc/25/09/12/766250912.db2.gz GZZNGWOQAZRSOP-HNNXBMFYSA-N 1 3 305.426 0.510 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NCC2CC2)CCC1 ZINC001159853688 766285874 /nfs/dbraw/zinc/28/58/74/766285874.db2.gz HVZFPIAQGCMKPP-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)=CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536392 766297865 /nfs/dbraw/zinc/29/78/65/766297865.db2.gz DVNAIFIQAMPYOG-HOTGVXAUSA-N 1 3 309.454 0.846 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159917490 766303091 /nfs/dbraw/zinc/30/30/91/766303091.db2.gz XMEAHQFRYIYWFU-WFASDCNBSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001161232821 766313171 /nfs/dbraw/zinc/31/31/71/766313171.db2.gz KLLKAPCLIRMGPM-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCCC[NH3+])CC1 ZINC001119365162 766648585 /nfs/dbraw/zinc/64/85/85/766648585.db2.gz YJKIUHDRUNNRSF-UHFFFAOYSA-N 1 3 324.469 0.838 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001160688425 767019102 /nfs/dbraw/zinc/01/91/02/767019102.db2.gz CEVUTOZPITVMPK-GFCCVEGCSA-N 1 3 311.817 0.450 20 0 DCADHO [NH3+]CCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001120544834 767072470 /nfs/dbraw/zinc/07/24/70/767072470.db2.gz DAXCLKMMPQYQDE-GJZGRUSLSA-N 1 3 312.458 0.746 20 0 DCADHO C[C@@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001171236562 767096587 /nfs/dbraw/zinc/09/65/87/767096587.db2.gz NOVCFTCESWRWHX-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)C1CCC1 ZINC001171253946 767298234 /nfs/dbraw/zinc/29/82/34/767298234.db2.gz NTEGUHVWQCGXRK-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)C2CC[NH+](C(C)C)CC2)C1=O ZINC001146384873 767452218 /nfs/dbraw/zinc/45/22/18/767452218.db2.gz UWEHXPGVBGCCMP-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001146593560 767486076 /nfs/dbraw/zinc/48/60/76/767486076.db2.gz PZFSEQKIADZRIT-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CN1CCN(CCCNC(=O)CCSCCC[NH3+])CC1 ZINC001122009239 767694793 /nfs/dbraw/zinc/69/47/93/767694793.db2.gz IVRBXOZRTRITNK-UHFFFAOYSA-N 1 3 302.488 0.212 20 0 DCADHO O=C(NCCN[C@@H]1CCCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333667 767712039 /nfs/dbraw/zinc/71/20/39/767712039.db2.gz TWCDXHQTUSGNFP-OAHLLOKOSA-N 1 3 322.453 0.093 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC)C2 ZINC001122106720 767716344 /nfs/dbraw/zinc/71/63/44/767716344.db2.gz QHUFGJKWUSNRBB-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2 ZINC001122106673 767716372 /nfs/dbraw/zinc/71/63/72/767716372.db2.gz NJJPPVDWNSMQJP-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3N)CC1 ZINC001122126966 767721160 /nfs/dbraw/zinc/72/11/60/767721160.db2.gz QOODDVUWKLGRQJ-ZDUSSCGKSA-N 1 3 321.425 0.517 20 0 DCADHO C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193507 768483247 /nfs/dbraw/zinc/48/32/47/768483247.db2.gz IVEOYXLUDIWTKS-RBSFLKMASA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193507 768483250 /nfs/dbraw/zinc/48/32/50/768483250.db2.gz IVEOYXLUDIWTKS-RBSFLKMASA-N 1 3 319.453 0.556 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)N(C)C2CC2)CC1 ZINC001202991771 768504784 /nfs/dbraw/zinc/50/47/84/768504784.db2.gz QRGBFWPTGOZDLC-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001203004621 768513245 /nfs/dbraw/zinc/51/32/45/768513245.db2.gz DPTRTWPRWBNXBH-UHFFFAOYSA-N 1 3 308.430 0.238 20 0 DCADHO CNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203041337 768532924 /nfs/dbraw/zinc/53/29/24/768532924.db2.gz BCAATUIYHWPUAV-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO [NH3+]CC1(NC(=O)C2CCN(Cc3ccncc3)CC2)COC1 ZINC001142348477 768639990 /nfs/dbraw/zinc/63/99/90/768639990.db2.gz XDPRVVQHJZWHCQ-UHFFFAOYSA-N 1 3 304.394 0.138 20 0 DCADHO CC(C)OCCN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242329 769046134 /nfs/dbraw/zinc/04/61/34/769046134.db2.gz VSRWZWMWTXSJSU-OAHLLOKOSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)COC)CCCO1 ZINC001150626784 769144057 /nfs/dbraw/zinc/14/40/57/769144057.db2.gz YWDJAOVFADCBEA-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+]([C@@H](C)COC)CCCO1 ZINC001150626784 769144064 /nfs/dbraw/zinc/14/40/64/769144064.db2.gz YWDJAOVFADCBEA-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC)N(C)C ZINC001171500958 769311261 /nfs/dbraw/zinc/31/12/61/769311261.db2.gz OAIVJXWLFCQRIF-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001171769867 769372210 /nfs/dbraw/zinc/37/22/10/769372210.db2.gz GRMBUVSPXVAXGZ-CYBMUJFWSA-N 1 3 321.487 0.105 20 0 DCADHO CCN1CC[C@H]([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1=O ZINC001172046191 769424180 /nfs/dbraw/zinc/42/41/80/769424180.db2.gz MADNZQZVZXTCKW-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CCN1CC[C@H]([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1=O ZINC001172046191 769424184 /nfs/dbraw/zinc/42/41/84/769424184.db2.gz MADNZQZVZXTCKW-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393207 769545859 /nfs/dbraw/zinc/54/58/59/769545859.db2.gz HFTBSZYLFSVUAK-UHFFFAOYSA-N 1 3 306.410 0.156 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCCS(=O)(=O)C(C)C ZINC001152431789 769554617 /nfs/dbraw/zinc/55/46/17/769554617.db2.gz FIQZEVHWLZLMNK-UHFFFAOYSA-N 1 3 321.487 0.246 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001152452181 769561627 /nfs/dbraw/zinc/56/16/27/769561627.db2.gz VVNKCPWYSLVHEG-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCOC ZINC001152452298 769562566 /nfs/dbraw/zinc/56/25/66/769562566.db2.gz ZTBHWYAGBGHCBI-CQSZACIVSA-N 1 3 301.431 0.230 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001152470501 769569682 /nfs/dbraw/zinc/56/96/82/769569682.db2.gz CIUUOEINPHCBCC-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173584291 769682219 /nfs/dbraw/zinc/68/22/19/769682219.db2.gz YMZAVTCIUDNXFS-KYGRNUTJSA-N 1 3 310.394 0.221 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173584291 769682223 /nfs/dbraw/zinc/68/22/23/769682223.db2.gz YMZAVTCIUDNXFS-KYGRNUTJSA-N 1 3 310.394 0.221 20 0 DCADHO COC(=O)c1ccc(C[C@H](C)NC[C@H](C[NH3+])C(=O)OC)cc1 ZINC001173711855 769702703 /nfs/dbraw/zinc/70/27/03/769702703.db2.gz NOLLITUCUADVEP-FZMZJTMJSA-N 1 3 308.378 0.742 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001175769323 769958730 /nfs/dbraw/zinc/95/87/30/769958730.db2.gz QSTISZACYRPPQK-CHWSQXEVSA-N 1 3 300.447 0.467 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854439 769962225 /nfs/dbraw/zinc/96/22/25/769962225.db2.gz BRFCGTQXWFIALT-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854439 769962231 /nfs/dbraw/zinc/96/22/31/769962231.db2.gz BRFCGTQXWFIALT-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CCOC(=O)[C@]12C[N@H+](C[C@H]3COC(C)(C)O3)C[C@H]1CNCC2 ZINC001236038716 769972360 /nfs/dbraw/zinc/97/23/60/769972360.db2.gz SEZZRVVHBMGZJZ-DVOMOZLQSA-N 1 3 312.410 0.613 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+](C[C@H]3COC(C)(C)O3)C[C@H]1CNCC2 ZINC001236038716 769972368 /nfs/dbraw/zinc/97/23/68/769972368.db2.gz SEZZRVVHBMGZJZ-DVOMOZLQSA-N 1 3 312.410 0.613 20 0 DCADHO CCOC(=O)[C@@H]1CN(Cc2ccnc(N)c2)CCC12C[NH2+]C2 ZINC001237428186 770041084 /nfs/dbraw/zinc/04/10/84/770041084.db2.gz BCZZAKXOSVLVHU-ZDUSSCGKSA-N 1 3 304.394 0.638 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnnn1C ZINC001176286490 770061073 /nfs/dbraw/zinc/06/10/73/770061073.db2.gz WOTSHXJDJZLYOI-AWEZNQCLSA-N 1 3 324.473 0.922 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCNC1=O ZINC001176286930 770062132 /nfs/dbraw/zinc/06/21/32/770062132.db2.gz ZRVCESLBIQNKDX-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO O=S(=O)(CC1CCCC1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238242192 770108650 /nfs/dbraw/zinc/10/86/50/770108650.db2.gz NJMDVAAIYQPXKB-AWEZNQCLSA-N 1 3 315.483 0.970 20 0 DCADHO O=S(=O)(CC1CCCC1)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238242192 770108654 /nfs/dbraw/zinc/10/86/54/770108654.db2.gz NJMDVAAIYQPXKB-AWEZNQCLSA-N 1 3 315.483 0.970 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1cnc2ccccc2c1 ZINC001238879051 770139739 /nfs/dbraw/zinc/13/97/39/770139739.db2.gz NOEHDJQVSLCEBV-UHFFFAOYSA-N 1 3 322.434 0.842 20 0 DCADHO COc1ccc(CS(=O)(=O)NCCC[NH2+]CCCN)cc1 ZINC001238879181 770139766 /nfs/dbraw/zinc/13/97/66/770139766.db2.gz QYAULUJYMRQGNV-UHFFFAOYSA-N 1 3 315.439 0.443 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cnnn1C ZINC001176752872 770168946 /nfs/dbraw/zinc/16/89/46/770168946.db2.gz AHEVPOBIKURHAZ-CQSZACIVSA-N 1 3 324.473 0.920 20 0 DCADHO COC(=O)[C@H](CCC[NH3+])NC(=S)NCCN1CCCCC1 ZINC001239389449 770215708 /nfs/dbraw/zinc/21/57/08/770215708.db2.gz XCBJCFHVLSJXCG-LBPRGKRZSA-N 1 3 316.471 0.217 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001176975007 770266391 /nfs/dbraw/zinc/26/63/91/770266391.db2.gz GYSCVBNSADFNEJ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001176975210 770266449 /nfs/dbraw/zinc/26/64/49/770266449.db2.gz MQKSXLPVOHDTNY-OAHLLOKOSA-N 1 3 315.458 0.618 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)CN(C)C(C)C)C(N)=O ZINC001176975403 770266834 /nfs/dbraw/zinc/26/68/34/770266834.db2.gz PNCLZZLAKFBLLW-ZDUSSCGKSA-N 1 3 300.447 0.467 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986523 770273092 /nfs/dbraw/zinc/27/30/92/770273092.db2.gz QIPCXQOHSNUAFD-AWEZNQCLSA-N 1 3 314.474 0.727 20 0 DCADHO COc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)n1 ZINC001155790944 770619258 /nfs/dbraw/zinc/61/92/58/770619258.db2.gz POWKXLSUDXSAGQ-AWEZNQCLSA-N 1 3 306.410 0.780 20 0 DCADHO COc1nccc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)n1 ZINC001155790677 770619270 /nfs/dbraw/zinc/61/92/70/770619270.db2.gz LXMPAKONOJIMRR-ZDUSSCGKSA-N 1 3 307.398 0.175 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178926499 770893449 /nfs/dbraw/zinc/89/34/49/770893449.db2.gz XPIZILLGJHODHU-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926499 770893463 /nfs/dbraw/zinc/89/34/63/770893463.db2.gz XPIZILLGJHODHU-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902453 770898681 /nfs/dbraw/zinc/89/86/81/770898681.db2.gz RCTRYIHDULUSOW-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179430940 771003503 /nfs/dbraw/zinc/00/35/03/771003503.db2.gz JGHPYAUKVWJUQQ-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179434894 771003672 /nfs/dbraw/zinc/00/36/72/771003672.db2.gz CEXJPVCZDWKMEE-AVGNSLFASA-N 1 3 310.442 0.042 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H]1C ZINC001179764033 771013451 /nfs/dbraw/zinc/01/34/51/771013451.db2.gz UVQIJRWBIGYOJV-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)[C@@H]1C ZINC001179764285 771013635 /nfs/dbraw/zinc/01/36/35/771013635.db2.gz XXJORSDVPORVPV-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)[C@@H]1C ZINC001179861514 771030707 /nfs/dbraw/zinc/03/07/07/771030707.db2.gz ZPMIFGPYYVSWQC-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)[C@@H]1C ZINC001179861514 771030710 /nfs/dbraw/zinc/03/07/10/771030710.db2.gz ZPMIFGPYYVSWQC-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001179925821 771034824 /nfs/dbraw/zinc/03/48/24/771034824.db2.gz UXKQTCIMCHGYGP-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001179925821 771034832 /nfs/dbraw/zinc/03/48/32/771034832.db2.gz UXKQTCIMCHGYGP-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1[C@@H](NCc2ccccn2)CCN1C(=O)COCC[NH+](C)C ZINC001179929828 771035758 /nfs/dbraw/zinc/03/57/58/771035758.db2.gz WYEVCEOTGSYTPQ-HOCLYGCPSA-N 1 3 320.437 0.739 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001179975814 771041544 /nfs/dbraw/zinc/04/15/44/771041544.db2.gz CIHYTVKFOXWNIQ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001179975814 771041549 /nfs/dbraw/zinc/04/15/49/771041549.db2.gz CIHYTVKFOXWNIQ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)[C@@H]1C ZINC001179987339 771043983 /nfs/dbraw/zinc/04/39/83/771043983.db2.gz QHQPJSNKAWESHX-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)[C@@H]1C ZINC001179983332 771044013 /nfs/dbraw/zinc/04/40/13/771044013.db2.gz WKFQSCNVIHXPTP-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC(=O)N(C)C ZINC001180369799 771114083 /nfs/dbraw/zinc/11/40/83/771114083.db2.gz YLJRCCQZDXHOFP-UHFFFAOYSA-N 1 3 314.474 0.681 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181651772 771326726 /nfs/dbraw/zinc/32/67/26/771326726.db2.gz GREIVRNABKRJPY-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746626 771340865 /nfs/dbraw/zinc/34/08/65/771340865.db2.gz RQRQSSIFVOVRHH-IJEWVQPXSA-N 1 3 311.470 0.926 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)C2(O)CCN(C)CC2)CC1 ZINC001182032499 771391207 /nfs/dbraw/zinc/39/12/07/771391207.db2.gz JXTDIZISASCTMD-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001182472258 771496521 /nfs/dbraw/zinc/49/65/21/771496521.db2.gz ABRDWPVDLORHDL-HUUCEWRRSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001182472258 771496524 /nfs/dbraw/zinc/49/65/24/771496524.db2.gz ABRDWPVDLORHDL-HUUCEWRRSA-N 1 3 322.453 0.328 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC(=N)n1nnc2ccccc21 ZINC001157424975 771607614 /nfs/dbraw/zinc/60/76/14/771607614.db2.gz XOKBOVAINQWPQW-NSHDSACASA-N 1 3 317.397 0.390 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183256512 771629968 /nfs/dbraw/zinc/62/99/68/771629968.db2.gz YBZNDZPXYSBOMR-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183256512 771629972 /nfs/dbraw/zinc/62/99/72/771629972.db2.gz YBZNDZPXYSBOMR-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183390895 771643511 /nfs/dbraw/zinc/64/35/11/771643511.db2.gz MUPCXMWJKYBWIW-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183390895 771643516 /nfs/dbraw/zinc/64/35/16/771643516.db2.gz MUPCXMWJKYBWIW-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1)N(C)C ZINC001183582049 771670851 /nfs/dbraw/zinc/67/08/51/771670851.db2.gz PTKWMODPDGNDCX-UPJWGTAASA-N 1 3 319.396 0.941 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900717 771689105 /nfs/dbraw/zinc/68/91/05/771689105.db2.gz PLFBRVAJYQZOML-NWDGAFQWSA-N 1 3 317.380 0.337 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900717 771689108 /nfs/dbraw/zinc/68/91/08/771689108.db2.gz PLFBRVAJYQZOML-NWDGAFQWSA-N 1 3 317.380 0.337 20 0 DCADHO Cn1cc(CNCCNC(=O)CCC[NH+]2CCCCC2)cn1 ZINC001151362487 771708066 /nfs/dbraw/zinc/70/80/66/771708066.db2.gz XFKKWRZLWGZPRU-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO O=C([C@H]1CC[C@@H](C(F)(F)F)CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166699 771733227 /nfs/dbraw/zinc/73/32/27/771733227.db2.gz CAPXHFUHSPAUQY-DDHJBXDOSA-N 1 3 321.343 0.364 20 0 DCADHO Cn1ccc2c1ncnc2N1CCC([N@@H+]2CC[C@@H](N)C2)CC1 ZINC001158258611 771748117 /nfs/dbraw/zinc/74/81/17/771748117.db2.gz DKDRGBOVSHSEGJ-GFCCVEGCSA-N 1 3 300.410 0.970 20 0 DCADHO Cn1ccc2c1ncnc2N1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001158258611 771748122 /nfs/dbraw/zinc/74/81/22/771748122.db2.gz DKDRGBOVSHSEGJ-GFCCVEGCSA-N 1 3 300.410 0.970 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158506186 771784035 /nfs/dbraw/zinc/78/40/35/771784035.db2.gz JERTXXHTTMYMSO-ZFWWWQNUSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158506186 771784038 /nfs/dbraw/zinc/78/40/38/771784038.db2.gz JERTXXHTTMYMSO-ZFWWWQNUSA-N 1 3 322.409 0.442 20 0 DCADHO CN1CCC(N(c2ccc(C(N)=O)cn2)C2CC[NH2+]CC2)CC1 ZINC001158575719 771792003 /nfs/dbraw/zinc/79/20/03/771792003.db2.gz SRBURYRNDRDJJY-UHFFFAOYSA-N 1 3 317.437 0.833 20 0 DCADHO N[C@H](C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1)C1CCC(O)CC1 ZINC001158576250 771792022 /nfs/dbraw/zinc/79/20/22/771792022.db2.gz AUIPSYCXFQFENH-ZFKITPQFSA-N 1 3 313.417 0.400 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CCCO ZINC001184578091 771801100 /nfs/dbraw/zinc/80/11/00/771801100.db2.gz QPXLSZDLSOWKKH-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876092 771840888 /nfs/dbraw/zinc/84/08/88/771840888.db2.gz DTNDBHRSCXAAEB-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876589 771841340 /nfs/dbraw/zinc/84/13/40/771841340.db2.gz KZVYVLZXPZHSDH-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)C1 ZINC001185089757 771859695 /nfs/dbraw/zinc/85/96/95/771859695.db2.gz CTSCEQLIKQAXOI-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)C1 ZINC001185089757 771859699 /nfs/dbraw/zinc/85/96/99/771859699.db2.gz CTSCEQLIKQAXOI-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCOC[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])Cc2cnn(C)c21 ZINC001159401764 771905436 /nfs/dbraw/zinc/90/54/36/771905436.db2.gz CJKPDXXBRBNHAY-KGLIPLIRSA-N 1 3 323.441 0.339 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC1CC1 ZINC001185384349 771909216 /nfs/dbraw/zinc/90/92/16/771909216.db2.gz BYIZUSJWXDEZDH-SWLSCSKDSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650341 771939381 /nfs/dbraw/zinc/93/93/81/771939381.db2.gz GYKFEQSRSFYNMT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650341 771939385 /nfs/dbraw/zinc/93/93/85/771939385.db2.gz GYKFEQSRSFYNMT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001185659349 771941388 /nfs/dbraw/zinc/94/13/88/771941388.db2.gz HDTSQERRECYPSS-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659396 771941479 /nfs/dbraw/zinc/94/14/79/771941479.db2.gz IBHAEGUEWDEUNC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659396 771941481 /nfs/dbraw/zinc/94/14/81/771941481.db2.gz IBHAEGUEWDEUNC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001185706313 771944296 /nfs/dbraw/zinc/94/42/96/771944296.db2.gz LXHBAEXUQWUWBK-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)C2CC2)C1)N(C)C ZINC001185715971 771948789 /nfs/dbraw/zinc/94/87/89/771948789.db2.gz MKIZYPZCDGCAIW-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]21 ZINC001159783243 771957465 /nfs/dbraw/zinc/95/74/65/771957465.db2.gz UWODSTNYODDCOR-KKUMJFAQSA-N 1 3 324.469 0.548 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854908 771969322 /nfs/dbraw/zinc/96/93/22/771969322.db2.gz WSCBAUNUZUQXGZ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCCNCc1cnnn1C ZINC001159907637 771974994 /nfs/dbraw/zinc/97/49/94/771974994.db2.gz CHGREGXBPGPDCH-AWEZNQCLSA-N 1 3 322.457 0.674 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCCNCc1cnnn1C ZINC001159907637 771974996 /nfs/dbraw/zinc/97/49/96/771974996.db2.gz CHGREGXBPGPDCH-AWEZNQCLSA-N 1 3 322.457 0.674 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCc1cnn(C)c1)C1CC1 ZINC001159924720 771978401 /nfs/dbraw/zinc/97/84/01/771978401.db2.gz MMDIGWWTXZFTHB-HNNXBMFYSA-N 1 3 307.442 0.399 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)ncn1 ZINC001159997029 771986314 /nfs/dbraw/zinc/98/63/14/771986314.db2.gz BQPXQGFQIASOGQ-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO Cc1cnc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cn1 ZINC001160003672 771987194 /nfs/dbraw/zinc/98/71/94/771987194.db2.gz ZHMJXTJUPRIOPO-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001186489166 772046008 /nfs/dbraw/zinc/04/60/08/772046008.db2.gz WVJUWXCLYWLTNL-MRXNPFEDSA-N 1 3 321.469 0.978 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001186458735 772047314 /nfs/dbraw/zinc/04/73/14/772047314.db2.gz QDRQPZBWQCQDCW-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C[NH2+]CCF)C2(C1)CCOCC2 ZINC001186511432 772049517 /nfs/dbraw/zinc/04/95/17/772049517.db2.gz DNLBYAHMDVUBLY-CYBMUJFWSA-N 1 3 324.400 0.767 20 0 DCADHO [NH3+]C[C@]1(Nc2nc(Cl)nc3c2CNCC3)CN2CCC1CC2 ZINC001160509545 772053283 /nfs/dbraw/zinc/05/32/83/772053283.db2.gz VSZUIVBNEXPFED-HNNXBMFYSA-N 1 3 322.844 0.611 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001186555738 772054926 /nfs/dbraw/zinc/05/49/26/772054926.db2.gz WERUZJMXTGSHIL-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO N[C@H](C(=O)N1CCO[C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160531289 772060257 /nfs/dbraw/zinc/06/02/57/772060257.db2.gz YKFVVILENMFWAC-HOTGVXAUSA-N 1 3 303.406 0.913 20 0 DCADHO N[C@H](C(=O)N1CCC[C@H]1Cc1ccccn1)C1CC[NH2+]CC1 ZINC001160545851 772062602 /nfs/dbraw/zinc/06/26/02/772062602.db2.gz VJPJFOXHGQCJAP-HOTGVXAUSA-N 1 3 302.422 0.942 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160637899 772082192 /nfs/dbraw/zinc/08/21/92/772082192.db2.gz QESGVJUUDZLFPF-KGLIPLIRSA-N 1 3 308.430 0.501 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001160833098 772118397 /nfs/dbraw/zinc/11/83/97/772118397.db2.gz MXXHBRKXZWWPDT-VIFPVBQESA-N 1 3 319.331 0.770 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001160839702 772120331 /nfs/dbraw/zinc/12/03/31/772120331.db2.gz UHZOPYXJCATNEV-UTUOFQBUSA-N 1 3 323.359 0.706 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001160889465 772132997 /nfs/dbraw/zinc/13/29/97/772132997.db2.gz KCJNYFUYFMNZDY-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001187323075 772165661 /nfs/dbraw/zinc/16/56/61/772165661.db2.gz XKGFHSJQFMAZOM-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161132132 772172381 /nfs/dbraw/zinc/17/23/81/772172381.db2.gz VGVBKZRWRZOHKE-CABCVRRESA-N 1 3 312.458 0.515 20 0 DCADHO CC1(C)OCCC12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001161240042 772189527 /nfs/dbraw/zinc/18/95/27/772189527.db2.gz UYTIOBIGBAFXRW-ZDUSSCGKSA-N 1 3 307.438 0.603 20 0 DCADHO Cc1cc(O[C@H]2CCCN(C(=O)[C@H](N)CCC[NH3+])C2)ncn1 ZINC001161308643 772200710 /nfs/dbraw/zinc/20/07/10/772200710.db2.gz GNJZHWUNMQATPK-QWHCGFSZSA-N 1 3 307.398 0.221 20 0 DCADHO Cc1cnccc1O[C@@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161385963 772214893 /nfs/dbraw/zinc/21/48/93/772214893.db2.gz CTXMWXWMTAQHTD-OLZOCXBDSA-N 1 3 324.450 0.389 20 0 DCADHO Cc1cccnc1O[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161396107 772217120 /nfs/dbraw/zinc/21/71/20/772217120.db2.gz ZOAWNMAJMLQXEK-UONOGXRCSA-N 1 3 316.405 0.179 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161411907 772219450 /nfs/dbraw/zinc/21/94/50/772219450.db2.gz CHTZOGYRWYMLOF-LOWDOPEQSA-N 1 3 311.426 0.502 20 0 DCADHO CN(C)CCN(C(=O)[C@H]1CCC(F)(F)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161444143 772224615 /nfs/dbraw/zinc/22/46/15/772224615.db2.gz CQLWSJJIEXQNOE-CHWSQXEVSA-N 1 3 318.412 0.516 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC1CCC1)CC2 ZINC001161476071 772230454 /nfs/dbraw/zinc/23/04/54/772230454.db2.gz APIBLTKPATVQCA-HEHGZKQESA-N 1 3 309.410 0.258 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842499 772232907 /nfs/dbraw/zinc/23/29/07/772232907.db2.gz OAJXBELSEZENAS-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO c1ncc(OCCN2CCCC2)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141183 772471062 /nfs/dbraw/zinc/47/10/62/772471062.db2.gz UDLTWTXKHDQZDC-MGPQQGTHSA-N 1 3 319.409 0.350 20 0 DCADHO CN1CCOc2c1cnnc2N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163309569 772504032 /nfs/dbraw/zinc/50/40/32/772504032.db2.gz IISPSKMFOFCSJT-XHDPSFHLSA-N 1 3 305.382 0.628 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCOC)C1)N(C)C ZINC001190900323 772688092 /nfs/dbraw/zinc/68/80/92/772688092.db2.gz OKGNFDQXFAIWGU-LSDHHAIUSA-N 1 3 315.458 0.522 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCOC)C1)N(C)C ZINC001190900323 772688095 /nfs/dbraw/zinc/68/80/95/772688095.db2.gz OKGNFDQXFAIWGU-LSDHHAIUSA-N 1 3 315.458 0.522 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165263480 772712997 /nfs/dbraw/zinc/71/29/97/772712997.db2.gz RICODHDGEBATCK-UHFFFAOYSA-N 1 3 311.455 0.784 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001166010885 772778783 /nfs/dbraw/zinc/77/87/83/772778783.db2.gz TZGBKLJDUHCLCO-OAHLLOKOSA-N 1 3 323.441 0.667 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667811 772837263 /nfs/dbraw/zinc/83/72/63/772837263.db2.gz IVNIZXMOELOIQI-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1cnc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001166677383 772838487 /nfs/dbraw/zinc/83/84/87/772838487.db2.gz IPSXOFIOWNLFKQ-CYBMUJFWSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001166678569 772839309 /nfs/dbraw/zinc/83/93/09/772839309.db2.gz WKUKQXHGILHXIN-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)n1 ZINC001166677834 772839359 /nfs/dbraw/zinc/83/93/59/772839359.db2.gz NYQPOVVJXUENAV-ZDUSSCGKSA-N 1 3 322.457 0.333 20 0 DCADHO Cn1nncc1C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765362 772857722 /nfs/dbraw/zinc/85/77/22/772857722.db2.gz ZEAQMRBOBHKKSC-UHFFFAOYSA-N 1 3 308.430 0.143 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(C)C)N(C)C ZINC001166857242 772871191 /nfs/dbraw/zinc/87/11/91/772871191.db2.gz ABNRWQAOOIDDQP-KBPBESRZSA-N 1 3 314.474 0.583 20 0 DCADHO CN(CCOCC(F)F)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171896 772879903 /nfs/dbraw/zinc/87/99/03/772879903.db2.gz YIXSFPSIMDNKQY-GFCCVEGCSA-N 1 3 307.385 0.753 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203520682 772911007 /nfs/dbraw/zinc/91/10/07/772911007.db2.gz HFLXVIDWJCQWJY-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001203714554 772920904 /nfs/dbraw/zinc/92/09/04/772920904.db2.gz OHJBOEOPRKYDCY-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC001203924557 772929727 /nfs/dbraw/zinc/92/97/27/772929727.db2.gz CPBQWMUFAWLLNQ-UHFFFAOYSA-N 1 3 321.469 0.883 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001204799251 772962735 /nfs/dbraw/zinc/96/27/35/772962735.db2.gz UYOGVSMSNSJHNO-OAHLLOKOSA-N 1 3 320.441 0.201 20 0 DCADHO [NH3+]C[C@]1(O)CCCN(Cc2cccc(N3CCOCC3)n2)CC1 ZINC001205247777 772984722 /nfs/dbraw/zinc/98/47/22/772984722.db2.gz JBKFOXLEVKJCGN-KRWDZBQOSA-N 1 3 320.437 0.594 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC)CC1)N(C)C ZINC001205516339 772997593 /nfs/dbraw/zinc/99/75/93/772997593.db2.gz ZQNCEBJBPHYFDY-TZMCWYRMSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206274625 773061718 /nfs/dbraw/zinc/06/17/18/773061718.db2.gz KQPGRVGPYUZJFG-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001193456943 773071794 /nfs/dbraw/zinc/07/17/94/773071794.db2.gz ZOFTYWQITSLPMM-RBSFLKMASA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001193456943 773071799 /nfs/dbraw/zinc/07/17/99/773071799.db2.gz ZOFTYWQITSLPMM-RBSFLKMASA-N 1 3 315.433 0.628 20 0 DCADHO COCCOCCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002735 773137147 /nfs/dbraw/zinc/13/71/47/773137147.db2.gz YETRRZSXTPCUIL-GJZGRUSLSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCCN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002735 773137148 /nfs/dbraw/zinc/13/71/48/773137148.db2.gz YETRRZSXTPCUIL-GJZGRUSLSA-N 1 3 313.442 0.134 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208015164 773374192 /nfs/dbraw/zinc/37/41/92/773374192.db2.gz ZWGXGJUFDFCJBQ-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208015164 773374196 /nfs/dbraw/zinc/37/41/96/773374196.db2.gz ZWGXGJUFDFCJBQ-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070000 773392422 /nfs/dbraw/zinc/39/24/22/773392422.db2.gz AIJPUNMIFDZDSZ-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070000 773392430 /nfs/dbraw/zinc/39/24/30/773392430.db2.gz AIJPUNMIFDZDSZ-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070625 773394472 /nfs/dbraw/zinc/39/44/72/773394472.db2.gz OIRBYFHCKUVFLP-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070625 773394478 /nfs/dbraw/zinc/39/44/78/773394478.db2.gz OIRBYFHCKUVFLP-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)NC1CCCC1 ZINC001152223195 773428804 /nfs/dbraw/zinc/42/88/04/773428804.db2.gz IURIAQUYIQMCOH-UHFFFAOYSA-N 1 3 324.469 0.627 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208359075 773442509 /nfs/dbraw/zinc/44/25/09/773442509.db2.gz PSJRPDLKNMOSPR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208359075 773442512 /nfs/dbraw/zinc/44/25/12/773442512.db2.gz PSJRPDLKNMOSPR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208359371 773442564 /nfs/dbraw/zinc/44/25/64/773442564.db2.gz SUXAVFFVSLRPGD-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208359371 773442567 /nfs/dbraw/zinc/44/25/67/773442567.db2.gz SUXAVFFVSLRPGD-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208358420 773442731 /nfs/dbraw/zinc/44/27/31/773442731.db2.gz KHOUTWXZMUYZDE-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208358420 773442734 /nfs/dbraw/zinc/44/27/34/773442734.db2.gz KHOUTWXZMUYZDE-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208373180 773445325 /nfs/dbraw/zinc/44/53/25/773445325.db2.gz HJSLEOWSGPRIFL-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530131 773487910 /nfs/dbraw/zinc/48/79/10/773487910.db2.gz HBUIJDHBKGKEAH-LXTVHRRPSA-N 1 3 315.458 0.016 20 0 DCADHO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530131 773487914 /nfs/dbraw/zinc/48/79/14/773487914.db2.gz HBUIJDHBKGKEAH-LXTVHRRPSA-N 1 3 315.458 0.016 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)CC1 ZINC001209304891 773588207 /nfs/dbraw/zinc/58/82/07/773588207.db2.gz VKRPIHDPWDIMHA-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209446011 773604935 /nfs/dbraw/zinc/60/49/35/773604935.db2.gz QDKYXBZPHMNLPQ-CQSZACIVSA-N 1 3 322.457 0.639 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209483770 773608740 /nfs/dbraw/zinc/60/87/40/773608740.db2.gz BNLHWDSEVUGCMF-RRFJBIMHSA-N 1 3 315.458 0.161 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](NCC(=O)NC)C1)[NH+](CC)CC ZINC001209589295 773623239 /nfs/dbraw/zinc/62/32/39/773623239.db2.gz NGXHOPJZJVSKOT-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659300 773631631 /nfs/dbraw/zinc/63/16/31/773631631.db2.gz BGEBYGCINHJEGU-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001209670329 773632646 /nfs/dbraw/zinc/63/26/46/773632646.db2.gz YUUSHBOPJKZJNJ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001209689644 773635011 /nfs/dbraw/zinc/63/50/11/773635011.db2.gz LLYDBKVQJJWEJT-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001210217070 773685735 /nfs/dbraw/zinc/68/57/35/773685735.db2.gz CLYRQCIBOOGTBA-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001210217465 773686463 /nfs/dbraw/zinc/68/64/63/773686463.db2.gz IVPWSIFWABRQMT-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001210217370 773686487 /nfs/dbraw/zinc/68/64/87/773686487.db2.gz HSOHEPDTARKSRQ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001210219908 773686888 /nfs/dbraw/zinc/68/68/88/773686888.db2.gz VFPFRNCWHLQDGW-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340675 773758480 /nfs/dbraw/zinc/75/84/80/773758480.db2.gz SXBYFNQMOVFOKL-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001211282415 773789956 /nfs/dbraw/zinc/78/99/56/773789956.db2.gz AHYVQUOFDZLSGX-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001211283257 773790328 /nfs/dbraw/zinc/79/03/28/773790328.db2.gz GJDPHJYFMYIAHQ-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CN1CCCN(C(=O)COCC[NH+](C)C)CC1)OC ZINC001197831629 773803934 /nfs/dbraw/zinc/80/39/34/773803934.db2.gz ALLAYYNZBFLEGH-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001152464256 773939652 /nfs/dbraw/zinc/93/96/52/773939652.db2.gz COVNVXMUHASKKR-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(=O)n(CC2CC2)c1 ZINC001198919783 774003157 /nfs/dbraw/zinc/00/31/57/774003157.db2.gz AUZPCVOIGHSLHE-UHFFFAOYSA-N 1 3 305.382 0.333 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661896 774006145 /nfs/dbraw/zinc/00/61/45/774006145.db2.gz JJWIXYAIRLPCPU-KBUPBQIOSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661896 774006150 /nfs/dbraw/zinc/00/61/50/774006150.db2.gz JJWIXYAIRLPCPU-KBUPBQIOSA-N 1 3 324.469 0.288 20 0 DCADHO CN1CCN(c2ccncc2C(=O)NC(=N)SCC[NH3+])CC1 ZINC001199361756 774096925 /nfs/dbraw/zinc/09/69/25/774096925.db2.gz VHFSVFPBXHAIMN-UHFFFAOYSA-N 1 3 322.438 0.190 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C)C(N)=O ZINC001216773029 774136067 /nfs/dbraw/zinc/13/60/67/774136067.db2.gz VTLPREDYIZTYHS-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001216853775 774143605 /nfs/dbraw/zinc/14/36/05/774143605.db2.gz LVXXSVHFJCOEGW-VNHYZAJKSA-N 1 3 324.469 0.430 20 0 DCADHO COCCOc1cnccc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001199627437 774154265 /nfs/dbraw/zinc/15/42/65/774154265.db2.gz PCYXQCKBFYGHNY-UHFFFAOYSA-N 1 3 309.370 0.181 20 0 DCADHO F[C@H]1CCC[NH2+]C[C@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001217981090 774208533 /nfs/dbraw/zinc/20/85/33/774208533.db2.gz OJHCNCDULJHYFU-WCQYABFASA-N 1 3 305.357 0.844 20 0 DCADHO COc1ccc(-c2ccccn2)nc1NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001218519825 774235053 /nfs/dbraw/zinc/23/50/53/774235053.db2.gz FICYMLOPPAHKEO-GWCFXTLKSA-N 1 3 313.361 0.780 20 0 DCADHO CCOC(=O)c1c(C)nsc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218545725 774243036 /nfs/dbraw/zinc/24/30/36/774243036.db2.gz GBNGIHBKZKYHKV-SECBINFHSA-N 1 3 324.406 0.376 20 0 DCADHO [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncc([O-])cc1Br ZINC001218701153 774283069 /nfs/dbraw/zinc/28/30/69/774283069.db2.gz PZPJHNNTOCZWRH-QMMMGPOBSA-N 1 3 303.160 0.554 20 0 DCADHO CCOC(=O)c1c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ccn1CC ZINC001218719282 774288580 /nfs/dbraw/zinc/28/85/80/774288580.db2.gz YMMDOYATTWQZBW-NSHDSACASA-N 1 3 320.393 0.432 20 0 DCADHO NCc1ccc(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cn1 ZINC001218731228 774291394 /nfs/dbraw/zinc/29/13/94/774291394.db2.gz IXLSKWMSQBVRRC-CQSZACIVSA-N 1 3 313.361 0.928 20 0 DCADHO COC(=O)c1ccc(NC(=O)[C@@H](N)CCC[NH3+])c(C(C)=O)c1 ZINC001218981965 774339566 /nfs/dbraw/zinc/33/95/66/774339566.db2.gz JLVKJABHGKOGMB-LBPRGKRZSA-N 1 3 307.350 0.681 20 0 DCADHO COC(=O)c1c2n[nH]cc2ccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218987988 774341345 /nfs/dbraw/zinc/34/13/45/774341345.db2.gz ABXWIHITUNXZNY-JTQLQIEISA-N 1 3 319.365 0.744 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001219029998 774350356 /nfs/dbraw/zinc/35/03/56/774350356.db2.gz YFYMEHFOOTXWKA-XFJVYGCCSA-N 1 3 317.389 0.732 20 0 DCADHO N[C@H](C(=O)Nc1cccc(N2CC[NH2+]CC2)c1)C1CCOCC1 ZINC001219119204 774378301 /nfs/dbraw/zinc/37/83/01/774378301.db2.gz VKGXPEAQTLJYAE-INIZCTEOSA-N 1 3 318.421 0.789 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200794343 774409845 /nfs/dbraw/zinc/40/98/45/774409845.db2.gz AWSQIOANCWLVLE-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCOC)C1)N(C)C ZINC001200795807 774410812 /nfs/dbraw/zinc/41/08/12/774410812.db2.gz NZFBNIHCQDCVGS-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)[C@H]3CNCCN3)cc2)C1 ZINC001219233847 774417568 /nfs/dbraw/zinc/41/75/68/774417568.db2.gz XLVPACGFNBINKF-IUODEOHRSA-N 1 3 303.410 0.114 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201067163 774441814 /nfs/dbraw/zinc/44/18/14/774441814.db2.gz ZDXFTZIFTGQHMJ-HNNXBMFYSA-N 1 3 313.442 0.059 20 0 DCADHO COc1cc2[nH]ccc2c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219360360 774463999 /nfs/dbraw/zinc/46/39/99/774463999.db2.gz AVVMNXCHOFWSJX-LBPRGKRZSA-N 1 3 300.362 0.924 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(-c2cc(CO)on2)cc1 ZINC001219417014 774483403 /nfs/dbraw/zinc/48/34/03/774483403.db2.gz FUIDBMBMLNZBIM-CYBMUJFWSA-N 1 3 304.350 0.839 20 0 DCADHO COC(=O)[C@H]1CCc2cc(NC(=O)[C@H](N)CCC[NH3+])ccc21 ZINC001219425462 774486780 /nfs/dbraw/zinc/48/67/80/774486780.db2.gz MHWGOLCBKRYOTE-UONOGXRCSA-N 1 3 305.378 0.894 20 0 DCADHO O=C(Nc1ccc2c[nH]nc2c1Cl)[C@@H]1C[NH2+]CC12CNC2 ZINC001219441503 774495012 /nfs/dbraw/zinc/49/50/12/774495012.db2.gz HSTMRPSLMISKDW-VIFPVBQESA-N 1 3 305.769 0.964 20 0 DCADHO COc1cc2c(cc1NC(=O)C1(N)CC1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500623 774515521 /nfs/dbraw/zinc/51/55/21/774515521.db2.gz FWEVJGHXCDEWJV-HNNXBMFYSA-N 1 3 316.361 0.308 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219534101 774527142 /nfs/dbraw/zinc/52/71/42/774527142.db2.gz TXPNYXZNULRQQB-GBIKHYSHSA-N 1 3 319.361 0.353 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643450 774570398 /nfs/dbraw/zinc/57/03/98/774570398.db2.gz UTFQIALKOBDYCX-JUAGGHJOSA-N 1 3 321.465 0.846 20 0 DCADHO Cc1cccc2c1[C@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)CCO2 ZINC001219682630 774578041 /nfs/dbraw/zinc/57/80/41/774578041.db2.gz OVXHLHRFAKHLKM-CHWSQXEVSA-N 1 3 301.390 0.744 20 0 DCADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219720810 774591986 /nfs/dbraw/zinc/59/19/86/774591986.db2.gz RIRWIEQKONABOV-QLFBSQMISA-N 1 3 305.422 0.696 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737088 774594051 /nfs/dbraw/zinc/59/40/51/774594051.db2.gz OLJDICFEKGUASJ-ZBFHGGJFSA-N 1 3 321.396 0.580 20 0 DCADHO NCc1ccc(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)cn1 ZINC001219746300 774597146 /nfs/dbraw/zinc/59/71/46/774597146.db2.gz IHGOZNVNIQSOOC-AWEZNQCLSA-N 1 3 304.394 0.571 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202166821 774610959 /nfs/dbraw/zinc/61/09/59/774610959.db2.gz YIIXCWKOFAUXTG-OAHLLOKOSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1ccc2c(n1)CCNC2 ZINC001219802940 774613983 /nfs/dbraw/zinc/61/39/83/774613983.db2.gz GTSREDLZTZPWAD-CYBMUJFWSA-N 1 3 316.405 0.226 20 0 DCADHO NC1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)Cc2ccccc2C1 ZINC001219851760 774628356 /nfs/dbraw/zinc/62/83/56/774628356.db2.gz DARSAQFWAUWMAQ-HRCADAONSA-N 1 3 315.417 0.223 20 0 DCADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1cncc2c1CCNC2 ZINC001219854604 774629143 /nfs/dbraw/zinc/62/91/43/774629143.db2.gz MSOHDGUSCMSQHR-HZUKXOBISA-N 1 3 316.405 0.082 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856544 774630333 /nfs/dbraw/zinc/63/03/33/774630333.db2.gz RCPKQABMHZUPSS-CTASWTNQSA-N 1 3 307.369 0.189 20 0 DCADHO COc1cc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc(OC)c1 ZINC001219907744 774643546 /nfs/dbraw/zinc/64/35/46/774643546.db2.gz BZQACTXNTGILRK-HNNXBMFYSA-N 1 3 319.405 0.172 20 0 DCADHO CS(=O)(=O)N(C(=O)[C@@H]1CCCCN1)c1ccc(C[NH3+])cc1 ZINC001219939269 774651780 /nfs/dbraw/zinc/65/17/80/774651780.db2.gz YKQJJVUSHLHNPR-ZDUSSCGKSA-N 1 3 311.407 0.580 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020824 774672077 /nfs/dbraw/zinc/67/20/77/774672077.db2.gz XEFLUVRUQMSUTK-AWEZNQCLSA-N 1 3 315.377 0.266 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC001202487483 774697753 /nfs/dbraw/zinc/69/77/53/774697753.db2.gz LHJGRBJSJPPATJ-HNNXBMFYSA-N 1 3 319.449 0.847 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC001202487483 774697756 /nfs/dbraw/zinc/69/77/56/774697756.db2.gz LHJGRBJSJPPATJ-HNNXBMFYSA-N 1 3 319.449 0.847 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220126762 774700270 /nfs/dbraw/zinc/70/02/70/774700270.db2.gz COOWYZXRJFCYOX-ZDUSSCGKSA-N 1 3 324.425 0.044 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001202496255 774725865 /nfs/dbraw/zinc/72/58/65/774725865.db2.gz QRRSOWDGXXFIKC-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO O=C(NC[C@H]1CCNCC1(F)F)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220187118 774726670 /nfs/dbraw/zinc/72/66/70/774726670.db2.gz YQIDELCKIXHVCO-NEPJUHHUSA-N 1 3 316.396 0.222 20 0 DCADHO Cc1cccnc1[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001220256726 774747484 /nfs/dbraw/zinc/74/74/84/774747484.db2.gz CPJMJSFAIUJANP-GXTWGEPZSA-N 1 3 308.451 0.977 20 0 DCADHO [NH3+]C12CCC(C(=O)NCc3ncn4c3CNCCC4)(CC1)C2 ZINC001220312655 774766793 /nfs/dbraw/zinc/76/67/93/774766793.db2.gz AKFRTEPOQVFTPX-UHFFFAOYSA-N 1 3 303.410 0.654 20 0 DCADHO COC(=O)c1n[nH]cc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220373581 774785078 /nfs/dbraw/zinc/78/50/78/774785078.db2.gz SFOIAFITDMIHCO-JTQLQIEISA-N 1 3 311.386 0.630 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC(C)(C)CC[NH+](C)C ZINC001220386015 774790609 /nfs/dbraw/zinc/79/06/09/774790609.db2.gz GAUWNWNFBGRJJH-STQMWFEESA-N 1 3 314.474 0.711 20 0 DCADHO COc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]CC23CNC3)c(F)c1 ZINC001220391279 774792641 /nfs/dbraw/zinc/79/26/41/774792641.db2.gz CVMGZZRUDDUUTC-GXFFZTMASA-N 1 3 307.369 0.821 20 0 DCADHO CSc1ccc(OCCNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001220422697 774801671 /nfs/dbraw/zinc/80/16/71/774801671.db2.gz KNZYKBNNPZJXGI-AWEZNQCLSA-N 1 3 321.446 0.713 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@@]2(C)CC(C)(C)C[NH2+]2)CCNC1 ZINC001220521837 774834208 /nfs/dbraw/zinc/83/42/08/774834208.db2.gz QFPBRNRJUKNPHD-MRXNPFEDSA-N 1 3 309.410 0.691 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C(F)(F)F ZINC001220588735 774856601 /nfs/dbraw/zinc/85/66/01/774856601.db2.gz XJIFAUGKPBNEMT-IUCAKERBSA-N 1 3 313.320 0.266 20 0 DCADHO N=C(NC(=O)[C@@H](N)CSCC[NH3+])c1cccnc1Cl ZINC001220660654 774880454 /nfs/dbraw/zinc/88/04/54/774880454.db2.gz JMPLOGRFQCLGMS-QMMMGPOBSA-N 1 3 301.803 0.196 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@@H](NC)c2ccccc2)C[NH2+]C1 ZINC001220828054 774927881 /nfs/dbraw/zinc/92/78/81/774927881.db2.gz FGJZTSJAZTXUME-AWEZNQCLSA-N 1 3 303.362 0.484 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001220920931 774952832 /nfs/dbraw/zinc/95/28/32/774952832.db2.gz SOQNYCGFDIJDDL-SMDDNHRTSA-N 1 3 322.384 0.223 20 0 DCADHO O=C(NC1(c2ncccn2)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220932820 774956621 /nfs/dbraw/zinc/95/66/21/774956621.db2.gz PHJHAXRHWQRCCS-GFCCVEGCSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NC1(c2ncccn2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220932820 774956624 /nfs/dbraw/zinc/95/66/24/774956624.db2.gz PHJHAXRHWQRCCS-GFCCVEGCSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NCC1(c2cnccn2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220992202 774972822 /nfs/dbraw/zinc/97/28/22/774972822.db2.gz HXOGYWAGEQSPCX-ZDUSSCGKSA-N 1 3 315.421 0.499 20 0 DCADHO O=C(NCC1(c2cnccn2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220992202 774972825 /nfs/dbraw/zinc/97/28/25/774972825.db2.gz HXOGYWAGEQSPCX-ZDUSSCGKSA-N 1 3 315.421 0.499 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091251 774992452 /nfs/dbraw/zinc/99/24/52/774992452.db2.gz HPZOCRKXANHXCS-OWCLPIDISA-N 1 3 309.454 0.678 20 0 DCADHO CN(C)CCN1CCN(C)C2(CC[NH+](CC3CCC3)CC2)C1=O ZINC001202733475 775002803 /nfs/dbraw/zinc/00/28/03/775002803.db2.gz NYRCBOGWILNVTP-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO O=C(NCc1cccc(-c2c[nH]cn2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001221304010 775061836 /nfs/dbraw/zinc/06/18/36/775061836.db2.gz XCVONFIELLAZES-CQSZACIVSA-N 1 3 311.389 0.502 20 0 DCADHO COc1cnccc1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221336097 775072946 /nfs/dbraw/zinc/07/29/46/775072946.db2.gz KUYZSWLDELJJHZ-AWEZNQCLSA-N 1 3 318.421 0.623 20 0 DCADHO COc1cnccc1CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221336097 775072951 /nfs/dbraw/zinc/07/29/51/775072951.db2.gz KUYZSWLDELJJHZ-AWEZNQCLSA-N 1 3 318.421 0.623 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408521 775091512 /nfs/dbraw/zinc/09/15/12/775091512.db2.gz JEOAPSKNDJUGRH-CQDKDKBSSA-N 1 3 324.469 0.369 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC[S@@](C)=O)[C@H](C)C1 ZINC001221407802 775091719 /nfs/dbraw/zinc/09/17/19/775091719.db2.gz MTYXXAYZUYHSLI-UOZDFWDJSA-N 1 3 303.472 0.317 20 0 DCADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC[S@@](C)=O)[C@H](C)C1 ZINC001221407802 775091723 /nfs/dbraw/zinc/09/17/23/775091723.db2.gz MTYXXAYZUYHSLI-UOZDFWDJSA-N 1 3 303.472 0.317 20 0 DCADHO NC(=O)CN[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222088193 775265906 /nfs/dbraw/zinc/26/59/06/775265906.db2.gz SZHMZVHHZKOALU-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO c1cc(CN2CC3(C2)CNCCO3)cc(N2CC[NH2+]CC2)c1 ZINC001222441685 775351125 /nfs/dbraw/zinc/35/11/25/775351125.db2.gz MPTUOVMACFBKAL-UHFFFAOYSA-N 1 3 302.422 0.270 20 0 DCADHO C(C1CCC2(CC1)OCCO2)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491438 775367031 /nfs/dbraw/zinc/36/70/31/775367031.db2.gz BCYKCXQZYZPOAQ-HOTGVXAUSA-N 1 3 309.454 0.946 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC)N(C)C ZINC001227056568 775919827 /nfs/dbraw/zinc/91/98/27/775919827.db2.gz GSKQNTHVBPWLTI-KBUPBQIOSA-N 1 3 315.458 0.351 20 0 DCADHO Cn1cc(CCN2CCC(NC(=O)CC[NH+](C)C)CC2)cn1 ZINC001228998933 776146179 /nfs/dbraw/zinc/14/61/79/776146179.db2.gz MBSIWODTAIDVRZ-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO C[NH+](C)CCC(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001229007878 776147897 /nfs/dbraw/zinc/14/78/97/776147897.db2.gz FULZIZRSOGLCAF-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001317599287 945100568 /nfs/dbraw/zinc/10/05/68/945100568.db2.gz RLCSWQHTXNXSJS-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001317599287 945100571 /nfs/dbraw/zinc/10/05/71/945100571.db2.gz RLCSWQHTXNXSJS-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C2(C[NH+](C)C)CC2)ccn1 ZINC001317624886 945125326 /nfs/dbraw/zinc/12/53/26/945125326.db2.gz YHIDAOIKTQAFFP-UHFFFAOYSA-N 1 3 320.437 0.980 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481114448 939566390 /nfs/dbraw/zinc/56/63/90/939566390.db2.gz MNUZNYTVBLKJIM-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CCc1ccnn1C ZINC001268010994 939734136 /nfs/dbraw/zinc/73/41/36/939734136.db2.gz FUPSLBHOBSWFHP-GFCCVEGCSA-N 1 3 318.425 0.579 20 0 DCADHO COc1nccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCN2C)n1 ZINC001268391703 940100212 /nfs/dbraw/zinc/10/02/12/940100212.db2.gz NLIYXGFXPYERIX-TZMCWYRMSA-N 1 3 321.425 0.564 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001481874338 940168114 /nfs/dbraw/zinc/16/81/14/940168114.db2.gz GFIIKGSACKCJDL-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001481874338 940168116 /nfs/dbraw/zinc/16/81/16/940168116.db2.gz GFIIKGSACKCJDL-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001268492760 940189162 /nfs/dbraw/zinc/18/91/62/940189162.db2.gz NBZLSUOEKCJFOB-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001268551686 940230767 /nfs/dbraw/zinc/23/07/67/940230767.db2.gz IKVNBRBJVHDFLG-CFYKVZDHSA-N 1 3 312.458 0.311 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001245984744 945305107 /nfs/dbraw/zinc/30/51/07/945305107.db2.gz OWMLBCDWFPAJDN-LDBYLJPUSA-N 1 3 305.422 0.026 20 0 DCADHO CN1CCC[C@H](NC/C=C/CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001268588557 940271396 /nfs/dbraw/zinc/27/13/96/940271396.db2.gz SMKRGUGJSZISCX-BWPKMQGJSA-N 1 3 322.453 0.211 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)ncn1 ZINC001482143700 940281525 /nfs/dbraw/zinc/28/15/25/940281525.db2.gz OYJLLYDZTVFBLH-KGLIPLIRSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001268603990 940294798 /nfs/dbraw/zinc/29/47/98/940294798.db2.gz SQEUUXKHXVCPAU-DSYXLKISSA-N 1 3 318.421 0.498 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268914527 940407652 /nfs/dbraw/zinc/40/76/52/940407652.db2.gz CKBPYXDBRYFBHC-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268914527 940407655 /nfs/dbraw/zinc/40/76/55/940407655.db2.gz CKBPYXDBRYFBHC-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001482264882 940834831 /nfs/dbraw/zinc/83/48/31/940834831.db2.gz CSAZJHKDKWSAMC-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)N3CCOCC3)CC2)CCN1 ZINC001246190564 945359171 /nfs/dbraw/zinc/35/91/71/945359171.db2.gz OOTTZPVWQXVMJZ-DZGCQCFKSA-N 1 3 310.442 0.633 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001482432187 941218701 /nfs/dbraw/zinc/21/87/01/941218701.db2.gz GGSHCCUXLNSIGT-HIFRSBDPSA-N 1 3 324.425 0.442 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNCC(=O)N1CCCC1)[NH+](C)C ZINC001483057897 941815762 /nfs/dbraw/zinc/81/57/62/941815762.db2.gz RXHFSZFFJJUOKV-OGZRUICASA-N 1 3 324.469 0.457 20 0 DCADHO CCn1ccc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)n1 ZINC001409306744 941886583 /nfs/dbraw/zinc/88/65/83/941886583.db2.gz NYRNBBNWYHDUDU-UHFFFAOYSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409402388 941982387 /nfs/dbraw/zinc/98/23/87/941982387.db2.gz MIGNIPWRHBGVJO-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001412854449 942108009 /nfs/dbraw/zinc/10/80/09/942108009.db2.gz KBXMMCSMVPIWAW-CABCVRRESA-N 1 3 318.421 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(C)(C)C ZINC001483280863 942235416 /nfs/dbraw/zinc/23/54/16/942235416.db2.gz DWDGXCLHZGLGLX-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(C)(C)C ZINC001483280863 942235418 /nfs/dbraw/zinc/23/54/18/942235418.db2.gz DWDGXCLHZGLGLX-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001483284373 942238282 /nfs/dbraw/zinc/23/82/82/942238282.db2.gz KSJMBQOGWOBYFJ-SMDDNHRTSA-N 1 3 310.446 0.329 20 0 DCADHO C[C@@H](CN(C)CCOCC(F)F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483416364 942344370 /nfs/dbraw/zinc/34/43/70/942344370.db2.gz AOYBEOINHCMWTD-NWDGAFQWSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@@H](CN(C)CCOCC(F)F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483416364 942344372 /nfs/dbraw/zinc/34/43/72/942344372.db2.gz AOYBEOINHCMWTD-NWDGAFQWSA-N 1 3 307.385 0.656 20 0 DCADHO Cc1nnsc1CNCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483508881 942395373 /nfs/dbraw/zinc/39/53/73/942395373.db2.gz CXLLQQXHNBEACG-GFCCVEGCSA-N 1 3 311.455 0.736 20 0 DCADHO Cc1nnsc1CNCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483508881 942395378 /nfs/dbraw/zinc/39/53/78/942395378.db2.gz CXLLQQXHNBEACG-GFCCVEGCSA-N 1 3 311.455 0.736 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1)C1CCC1 ZINC001483565089 942424306 /nfs/dbraw/zinc/42/43/06/942424306.db2.gz BAZSSXVMPKOXSV-GJZGRUSLSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066818 942426327 /nfs/dbraw/zinc/42/63/27/942426327.db2.gz SQKKFUUSCCTXAI-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066818 942426329 /nfs/dbraw/zinc/42/63/29/942426329.db2.gz SQKKFUUSCCTXAI-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127077704 942440273 /nfs/dbraw/zinc/44/02/73/942440273.db2.gz IDFJYKFPMNJSFG-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127077704 942440275 /nfs/dbraw/zinc/44/02/75/942440275.db2.gz IDFJYKFPMNJSFG-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254628 942769295 /nfs/dbraw/zinc/76/92/95/942769295.db2.gz GBSNQSNRRYYOIM-KBPBESRZSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254628 942769300 /nfs/dbraw/zinc/76/93/00/942769300.db2.gz GBSNQSNRRYYOIM-KBPBESRZSA-N 1 3 305.426 0.500 20 0 DCADHO CN1CCC[C@H](NC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001483783903 942949062 /nfs/dbraw/zinc/94/90/62/942949062.db2.gz PDJHRRXMVZWUDR-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@H](NC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001483783903 942949065 /nfs/dbraw/zinc/94/90/65/942949065.db2.gz PDJHRRXMVZWUDR-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001483923554 943025820 /nfs/dbraw/zinc/02/58/20/943025820.db2.gz ASCTTZVNUQRYGR-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001483957711 943056252 /nfs/dbraw/zinc/05/62/52/943056252.db2.gz CBRCNHURYCLZCG-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN([C@H](C)C(=O)NC)CC2 ZINC001484581819 943457115 /nfs/dbraw/zinc/45/71/15/943457115.db2.gz QKJLBGOCRZZHRS-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN([C@H](C)C(=O)NC)CC2 ZINC001484581819 943457118 /nfs/dbraw/zinc/45/71/18/943457118.db2.gz QKJLBGOCRZZHRS-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCCOC)C1)N(C)C ZINC001484681454 943502897 /nfs/dbraw/zinc/50/28/97/943502897.db2.gz XHVFYCHXCWOBBZ-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@](CO)([NH2+]C[C@@H](C)OC)C1 ZINC001484857757 943602990 /nfs/dbraw/zinc/60/29/90/943602990.db2.gz YCDQDMGVLYUEPW-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001484994670 943649302 /nfs/dbraw/zinc/64/93/02/943649302.db2.gz OHNXRJTYTSSOMV-BFHYXJOUSA-N 1 3 312.458 0.432 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485158062 943730725 /nfs/dbraw/zinc/73/07/25/943730725.db2.gz WZJAHKPDQZUAKA-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)nn2)C1 ZINC001491071274 943734472 /nfs/dbraw/zinc/73/44/72/943734472.db2.gz YBMIURCFMRMAKA-OKILXGFUSA-N 1 3 321.425 0.564 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)nn2)C1 ZINC001491071274 943734473 /nfs/dbraw/zinc/73/44/73/943734473.db2.gz YBMIURCFMRMAKA-OKILXGFUSA-N 1 3 321.425 0.564 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+][C@@H]2CCNC2=O)C1 ZINC001485259663 943776378 /nfs/dbraw/zinc/77/63/78/943776378.db2.gz AVTBPFWMUMIZNV-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001491351792 943937867 /nfs/dbraw/zinc/93/78/67/943937867.db2.gz KMSGKWWGOBWESF-UHFFFAOYSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](NCc1cncn1C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485642946 944059981 /nfs/dbraw/zinc/05/99/81/944059981.db2.gz GJJJMBSFZGCGCZ-UKRRQHHQSA-N 1 3 323.441 0.077 20 0 DCADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1 ZINC001485669764 944069578 /nfs/dbraw/zinc/06/95/78/944069578.db2.gz KCIHNDPCBKRBNV-CALCHBBNSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)N1C[C@]2(C)C[N@@H+](CCCO)C[C@]2(C)C1 ZINC001485669764 944069587 /nfs/dbraw/zinc/06/95/87/944069587.db2.gz KCIHNDPCBKRBNV-CALCHBBNSA-N 1 3 311.470 0.881 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001485814258 944161590 /nfs/dbraw/zinc/16/15/90/944161590.db2.gz QOYUFDIEUFDBGY-KGLIPLIRSA-N 1 3 324.469 0.561 20 0 DCADHO C[N@@H+]1CCCN(CCNC(=O)[C@@H](N)Cc2cccc(O)c2)CC1 ZINC001220303858 944310813 /nfs/dbraw/zinc/31/08/13/944310813.db2.gz GUZCVZOQFQEPGN-INIZCTEOSA-N 1 3 320.437 0.016 20 0 DCADHO C[N@H+]1CCCN(CCNC(=O)[C@@H](N)Cc2cccc(O)c2)CC1 ZINC001220303858 944310824 /nfs/dbraw/zinc/31/08/24/944310824.db2.gz GUZCVZOQFQEPGN-INIZCTEOSA-N 1 3 320.437 0.016 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001485930119 944416173 /nfs/dbraw/zinc/41/61/73/944416173.db2.gz LRJJVOGAJFCJFE-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO COCCCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001316989510 944720376 /nfs/dbraw/zinc/72/03/76/944720376.db2.gz VRWDDRNPKOEFPF-HNNXBMFYSA-N 1 3 323.441 0.285 20 0 DCADHO C[C@@H](C(=O)N(C)C[C@H](O)CNCCF)[NH+]1CCCCCC1 ZINC001486303832 944747599 /nfs/dbraw/zinc/74/75/99/944747599.db2.gz XDBOQFPGSVKZMI-UONOGXRCSA-N 1 3 303.422 0.629 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@H+](C)CCCF)CCC1 ZINC001486337858 944798351 /nfs/dbraw/zinc/79/83/51/944798351.db2.gz ZVIOUJKJJMEYTO-CYBMUJFWSA-N 1 3 303.422 0.581 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCF)CCC1 ZINC001486337858 944798364 /nfs/dbraw/zinc/79/83/64/944798364.db2.gz ZVIOUJKJJMEYTO-CYBMUJFWSA-N 1 3 303.422 0.581 20 0 DCADHO COC(=O)[C@@H](C)CN1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277512488 944852931 /nfs/dbraw/zinc/85/29/31/944852931.db2.gz QTGVRNGVLVGSEA-GXTWGEPZSA-N 1 3 323.437 0.328 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C)cn1 ZINC001486424911 944871451 /nfs/dbraw/zinc/87/14/51/944871451.db2.gz XSZQPDGYLHJUNG-GJZGRUSLSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C)cn1 ZINC001486424911 944871464 /nfs/dbraw/zinc/87/14/64/944871464.db2.gz XSZQPDGYLHJUNG-GJZGRUSLSA-N 1 3 321.469 0.992 20 0 DCADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cnnn3C)(C1)CCC2 ZINC001277601335 944901332 /nfs/dbraw/zinc/90/13/32/944901332.db2.gz NIYUMORMECKVJQ-CVEARBPZSA-N 1 3 323.441 0.960 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001317324372 944925108 /nfs/dbraw/zinc/92/51/08/944925108.db2.gz ADRTXUARLNGKQS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CCOCCO ZINC001317463571 944985978 /nfs/dbraw/zinc/98/59/78/944985978.db2.gz FCTLNODOWNVMOP-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CCOCCO ZINC001317463571 944985982 /nfs/dbraw/zinc/98/59/82/944985982.db2.gz FCTLNODOWNVMOP-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO COC(=O)CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001277871083 945017148 /nfs/dbraw/zinc/01/71/48/945017148.db2.gz ISDGMIGPVOOLBR-UHFFFAOYSA-N 1 3 306.410 0.844 20 0 DCADHO CCOC(=O)C1(N[C@H]2CCNC3(C[NH2+]C3)C2)CCN(CC)CC1 ZINC001246329443 945386586 /nfs/dbraw/zinc/38/65/86/945386586.db2.gz QEEQYWCRJDOTAG-AWEZNQCLSA-N 1 3 324.469 0.088 20 0 DCADHO c1cncc([C@H]2NCC[C@H]2C[NH2+]C2C[C@@H]3COC[C@H](C2)N3)c1 ZINC001246342305 945388221 /nfs/dbraw/zinc/38/82/21/945388221.db2.gz SGPGQGXYJZLPLE-UCHQMPSGSA-N 1 3 302.422 0.841 20 0 DCADHO CC(C)COc1cc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)ncn1 ZINC001246386150 945400452 /nfs/dbraw/zinc/40/04/52/945400452.db2.gz FTRUYOPXSZSTGB-CYBMUJFWSA-N 1 3 305.426 0.695 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CN1 ZINC001246406239 945405235 /nfs/dbraw/zinc/40/52/35/945405235.db2.gz LVARZPQHKWDLJD-AJNGGQMLSA-N 1 3 311.426 0.123 20 0 DCADHO [NH3+]C[C@H]1CN(C2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@@H]1O ZINC001246583205 945434583 /nfs/dbraw/zinc/43/45/83/945434583.db2.gz IRFGNAMYXLJMSZ-BBRMVZONSA-N 1 3 321.396 0.682 20 0 DCADHO O=C1NCCN([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C12CNC2 ZINC001246637960 945449096 /nfs/dbraw/zinc/44/90/96/945449096.db2.gz QYCJACLFGMGWNT-HUUCEWRRSA-N 1 3 300.406 0.254 20 0 DCADHO c1nnn([C@@H]2CCC[C@H](N3CC[NH2+]C[C@]4(CCCCN4)C3)C2)n1 ZINC001246637615 945449474 /nfs/dbraw/zinc/44/94/74/945449474.db2.gz ZAOMHHXDXUHFPI-ARFHVFGLSA-N 1 3 319.457 0.574 20 0 DCADHO c1cc(CN2CCC(N3CCN[C@]4(CC[NH2+]C4)C3)CC2)ccn1 ZINC001246640337 945452043 /nfs/dbraw/zinc/45/20/43/945452043.db2.gz FXVMCUPRJWBGJS-SFHVURJKSA-N 1 3 315.465 0.683 20 0 DCADHO C[C@H]1CC[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C[NH2+]1 ZINC001246706456 945467672 /nfs/dbraw/zinc/46/76/72/945467672.db2.gz KUAQWVBWLWHNOZ-QWHCGFSZSA-N 1 3 315.421 0.854 20 0 DCADHO C[C@@H]1C[C@H](N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246708405 945468401 /nfs/dbraw/zinc/46/84/01/945468401.db2.gz JSHVONUXQOZOOG-KLHDSHLOSA-N 1 3 317.437 0.754 20 0 DCADHO C[C@@H]1C[C@@H](N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CC[NH2+]1 ZINC001246737372 945479007 /nfs/dbraw/zinc/47/90/07/945479007.db2.gz BJZLHOJROCJGTG-JKIFEVAISA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCN1 ZINC001246737372 945479011 /nfs/dbraw/zinc/47/90/11/945479011.db2.gz BJZLHOJROCJGTG-JKIFEVAISA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCN1 ZINC001246737372 945479015 /nfs/dbraw/zinc/47/90/15/945479015.db2.gz BJZLHOJROCJGTG-JKIFEVAISA-N 1 3 317.437 0.989 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CCN1 ZINC001246748525 945480150 /nfs/dbraw/zinc/48/01/50/945480150.db2.gz YQNRZIJGODXUDA-NPJQDHAYSA-N 1 3 323.437 0.485 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CCN1 ZINC001246748525 945480155 /nfs/dbraw/zinc/48/01/55/945480155.db2.gz YQNRZIJGODXUDA-NPJQDHAYSA-N 1 3 323.437 0.485 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@@H+]([C@H]4CCCNC4)C[C@H]3C2)cn1 ZINC001246759597 945484733 /nfs/dbraw/zinc/48/47/33/945484733.db2.gz NTWLZCXOISBZIT-ZACQAIPSSA-N 1 3 303.454 0.926 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@H+]([C@H]4CCCNC4)C[C@H]3C2)cn1 ZINC001246759597 945484735 /nfs/dbraw/zinc/48/47/35/945484735.db2.gz NTWLZCXOISBZIT-ZACQAIPSSA-N 1 3 303.454 0.926 20 0 DCADHO Cc1ccc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246812753 945496423 /nfs/dbraw/zinc/49/64/23/945496423.db2.gz XULMQHFQUWGAQP-HNNXBMFYSA-N 1 3 301.438 0.606 20 0 DCADHO Cc1ccc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246812761 945497083 /nfs/dbraw/zinc/49/70/83/945497083.db2.gz XULMQHFQUWGAQP-OAHLLOKOSA-N 1 3 301.438 0.606 20 0 DCADHO Clc1ccc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nn1 ZINC001246868420 945509554 /nfs/dbraw/zinc/50/95/54/945509554.db2.gz BPUQRQHYBRRBLI-GFCCVEGCSA-N 1 3 322.844 0.346 20 0 DCADHO c1cc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc2c1OCO2 ZINC001247852959 945579789 /nfs/dbraw/zinc/57/97/89/945579789.db2.gz ZSEHHDZPBWTKHS-UHFFFAOYSA-N 1 3 300.318 0.526 20 0 DCADHO CC(C)(C)CN1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251046032 945726908 /nfs/dbraw/zinc/72/69/08/945726908.db2.gz MZICGFYTALCMEB-INIZCTEOSA-N 1 3 313.486 0.780 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(CC2CCC2)CC1)CN1CCOCC1 ZINC001251045173 945727728 /nfs/dbraw/zinc/72/77/28/945727728.db2.gz DUHZNWKXDSEUTO-KRWDZBQOSA-N 1 3 311.470 0.534 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001410308998 946153810 /nfs/dbraw/zinc/15/38/10/946153810.db2.gz IHJFFXHOSDGQJT-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001321231760 946226075 /nfs/dbraw/zinc/22/60/75/946226075.db2.gz IKVNBRBJVHDFLG-SJXIGLKTSA-N 1 3 312.458 0.311 20 0 DCADHO OC1(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)COC1 ZINC001254048061 946226987 /nfs/dbraw/zinc/22/69/87/946226987.db2.gz FKIFEAXWCWQINR-UHFFFAOYSA-N 1 3 306.406 0.364 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001410389002 946292079 /nfs/dbraw/zinc/29/20/79/946292079.db2.gz VRUUVBZHVITAOV-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001410389002 946292092 /nfs/dbraw/zinc/29/20/92/946292092.db2.gz VRUUVBZHVITAOV-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](N[C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410424105 946347855 /nfs/dbraw/zinc/34/78/55/946347855.db2.gz XETJTDPOZAZILR-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001273269213 946378441 /nfs/dbraw/zinc/37/84/41/946378441.db2.gz XPHHYYFRXZFIHA-KBPBESRZSA-N 1 3 301.406 0.647 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001273269213 946378448 /nfs/dbraw/zinc/37/84/48/946378448.db2.gz XPHHYYFRXZFIHA-KBPBESRZSA-N 1 3 301.406 0.647 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001410481791 946476241 /nfs/dbraw/zinc/47/62/41/946476241.db2.gz YCSLMJPEGXSCBO-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)NC(=O)c1nn([C@H]2CCC[N@H+](C)C2)c2c1CNCC2 ZINC001255484704 946516418 /nfs/dbraw/zinc/51/64/18/946516418.db2.gz CLHCVCYYRHSQQZ-LBPRGKRZSA-N 1 3 305.426 0.934 20 0 DCADHO CC(C)NC(=O)c1nn([C@H]2CCC[N@@H+](C)C2)c2c1CNCC2 ZINC001255484704 946516421 /nfs/dbraw/zinc/51/64/21/946516421.db2.gz CLHCVCYYRHSQQZ-LBPRGKRZSA-N 1 3 305.426 0.934 20 0 DCADHO C[NH+]1CCC(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CO)CC1 ZINC001256198277 946593632 /nfs/dbraw/zinc/59/36/32/946593632.db2.gz HXMNRXTZBMFZOJ-OCCSQVGLSA-N 1 3 313.442 0.898 20 0 DCADHO CN1CCN(C(=[NH2+])NC2CCC(N3CCOCC3)CC2)CC1 ZINC001256682509 946652673 /nfs/dbraw/zinc/65/26/73/946652673.db2.gz JVTANRHMTLMKOC-UHFFFAOYSA-N 1 3 309.458 0.402 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001256779465 946660245 /nfs/dbraw/zinc/66/02/45/946660245.db2.gz KQFJNHHBZDQCIQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001256768779 946661066 /nfs/dbraw/zinc/66/10/66/946661066.db2.gz UECQKCOFLYVUIF-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001410654274 946718391 /nfs/dbraw/zinc/71/83/91/946718391.db2.gz WUDKXYJTVRWKGZ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001410654361 946718860 /nfs/dbraw/zinc/71/88/60/946718860.db2.gz WUDKXYJTVRWKGZ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001322796307 946808478 /nfs/dbraw/zinc/80/84/78/946808478.db2.gz NIUXIWZSVLNCFH-QWHCGFSZSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001410737644 946862301 /nfs/dbraw/zinc/86/23/01/946862301.db2.gz HACHUAZOALTKKI-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001410861229 947043875 /nfs/dbraw/zinc/04/38/75/947043875.db2.gz RBRFSQABZGYPBA-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)[C@H]1C ZINC001410865098 947053713 /nfs/dbraw/zinc/05/37/13/947053713.db2.gz ULJWZJCBRDIOAS-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccsc1 ZINC001411124276 947361766 /nfs/dbraw/zinc/36/17/66/947361766.db2.gz JJOANYPJJPQTAJ-CQSZACIVSA-N 1 3 313.467 0.997 20 0 DCADHO COCCN(CCNC(=O)C12CCC[NH+]1CCC2)C[C@H](C)O ZINC001411221596 947505789 /nfs/dbraw/zinc/50/57/89/947505789.db2.gz DTHWVCBWKBPOHX-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN(CCNC(=O)C12CCC[NH+]1CCC2)C[C@@H](C)O ZINC001411221599 947508410 /nfs/dbraw/zinc/50/84/10/947508410.db2.gz DTHWVCBWKBPOHX-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001411252337 947540379 /nfs/dbraw/zinc/54/03/79/947540379.db2.gz MJJOAQCPWHPDIZ-LRVUVFPRSA-N 1 3 322.453 0.328 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179539363 947866026 /nfs/dbraw/zinc/86/60/26/947866026.db2.gz VYZROHFQXKHYIP-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001179580694 947876968 /nfs/dbraw/zinc/87/69/68/947876968.db2.gz MMTYZQYEPKGKAP-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+][C@H](C)C(N)=O ZINC001180158056 947905220 /nfs/dbraw/zinc/90/52/20/947905220.db2.gz FQWDRKQWDFHDRC-GFCCVEGCSA-N 1 3 309.414 0.401 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001326990687 948356160 /nfs/dbraw/zinc/35/61/60/948356160.db2.gz NNUYDNHQPCAFNA-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)CCC[NH+](C)C ZINC001487921899 948359538 /nfs/dbraw/zinc/35/95/38/948359538.db2.gz XDIXAMFNBDCBKI-GFCCVEGCSA-N 1 3 309.414 0.257 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCO[C@H](CNC/C=C\Cl)C2)CC1 ZINC001327019317 948365763 /nfs/dbraw/zinc/36/57/63/948365763.db2.gz KGJYCESIBKEWHB-FWWGQDLDSA-N 1 3 315.845 0.898 20 0 DCADHO COCC[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001327570793 948555636 /nfs/dbraw/zinc/55/56/36/948555636.db2.gz ZPRSJPXRWZOIQU-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001491566953 948731652 /nfs/dbraw/zinc/73/16/52/948731652.db2.gz SVKGNQBARADYTA-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CCN1CC[C@H](N(C)CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001265037422 949222362 /nfs/dbraw/zinc/22/23/62/949222362.db2.gz ZFLYTZGWKNRWEF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](N(C)CCCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001265037422 949222385 /nfs/dbraw/zinc/22/23/85/949222385.db2.gz ZFLYTZGWKNRWEF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+](CC)[C@H]1CCCNC1=O)N(C)C ZINC001265134436 949348847 /nfs/dbraw/zinc/34/88/47/949348847.db2.gz URPUBVZRKQGZGG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+](CC)[C@H]1CCCNC1=O)N(C)C ZINC001265134436 949348867 /nfs/dbraw/zinc/34/88/67/949348867.db2.gz URPUBVZRKQGZGG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H](C)C(=O)NC ZINC001266042458 950294227 /nfs/dbraw/zinc/29/42/27/950294227.db2.gz BZKBTKIBTHNKRR-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C(N)=O)CCC3)CC2)CC1 ZINC001330780271 950654634 /nfs/dbraw/zinc/65/46/34/950654634.db2.gz XBALLDXZQGPAJN-UHFFFAOYSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001330914541 950757336 /nfs/dbraw/zinc/75/73/36/950757336.db2.gz AXVINFDLKNNLBC-UHFFFAOYSA-N 1 3 310.442 0.318 20 0 DCADHO C[C@H]([NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1)C(N)=O ZINC001490665925 950969809 /nfs/dbraw/zinc/96/98/09/950969809.db2.gz XLERNNXIXYJXSC-JSGCOSHPSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001280678557 951031514 /nfs/dbraw/zinc/03/15/14/951031514.db2.gz ALDKFRDBOBZLSZ-IHVVCDCBSA-N 1 3 303.834 0.896 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001490742762 951071251 /nfs/dbraw/zinc/07/12/51/951071251.db2.gz TZJLEYZLUYEUSA-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO COCCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001281282348 951432371 /nfs/dbraw/zinc/43/23/71/951432371.db2.gz ALCOVMKQXKDNRV-UHFFFAOYSA-N 1 3 324.425 0.552 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365823353 951584323 /nfs/dbraw/zinc/58/43/23/951584323.db2.gz XYXONQHBDNZNFL-TXEJJXNPSA-N 1 3 311.455 0.783 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001274943690 951903373 /nfs/dbraw/zinc/90/33/73/951903373.db2.gz FYHFUUACMVBIOI-HUUCEWRRSA-N 1 3 322.457 0.635 20 0 DCADHO C[C@@H](C(=O)NCC1=CCN(CCO)CC1)[NH+]1CCCCCC1 ZINC001333416466 952050665 /nfs/dbraw/zinc/05/06/65/952050665.db2.gz IETOREJOCFAPPO-HNNXBMFYSA-N 1 3 309.454 0.992 20 0 DCADHO CCC(CC)[NH2+]CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC001333696589 952135864 /nfs/dbraw/zinc/13/58/64/952135864.db2.gz DPFNLFPOIJINCU-AWEZNQCLSA-N 1 3 300.447 0.785 20 0 DCADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)NC1CCCCC1 ZINC001336812345 952769916 /nfs/dbraw/zinc/76/99/16/952769916.db2.gz YAFSWPZCNXBTQV-OAHLLOKOSA-N 1 3 312.458 0.665 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3ccn(C)n3)C[C@H]2CC1 ZINC001276273557 953045557 /nfs/dbraw/zinc/04/55/57/953045557.db2.gz ORCMOZWBSZQVIO-GASCZTMLSA-N 1 3 319.453 0.652 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3ccn(C)n3)C[C@H]2CC1 ZINC001276273557 953045560 /nfs/dbraw/zinc/04/55/60/953045560.db2.gz ORCMOZWBSZQVIO-GASCZTMLSA-N 1 3 319.453 0.652 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001495743931 953063269 /nfs/dbraw/zinc/06/32/69/953063269.db2.gz TYQOHPMPOLLMKM-STQMWFEESA-N 1 3 314.474 0.441 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CNCC[NH3+] ZINC001340987526 953206037 /nfs/dbraw/zinc/20/60/37/953206037.db2.gz VILHNOOPHUACRX-HNNXBMFYSA-N 1 3 304.438 0.658 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001342274527 953281165 /nfs/dbraw/zinc/28/11/65/953281165.db2.gz SGVIAPVEFBWQHR-SOUVJXGZSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CNCCN2C)C1 ZINC001343374616 953341450 /nfs/dbraw/zinc/34/14/50/953341450.db2.gz HYFLXTBVWOKGTJ-BZUAXINKSA-N 1 3 310.486 0.764 20 0 DCADHO COC(=O)[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001345110058 953592509 /nfs/dbraw/zinc/59/25/09/953592509.db2.gz YAFWGVNSXHIUNV-XQLPTFJDSA-N 1 3 323.437 0.628 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001366103859 953687547 /nfs/dbraw/zinc/68/75/47/953687547.db2.gz KWMPAYIKGWCIHZ-SOUVJXGZSA-N 1 3 313.442 0.059 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001366169358 953772353 /nfs/dbraw/zinc/77/23/53/953772353.db2.gz OWUPQOPSIPTFLW-ZNMIVQPWSA-N 1 3 324.469 0.622 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001346295265 953850356 /nfs/dbraw/zinc/85/03/56/953850356.db2.gz PDWZZXZUVPAWHG-VBQJREDUSA-N 1 3 322.453 0.126 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001366245954 953888928 /nfs/dbraw/zinc/88/89/28/953888928.db2.gz WTTAUXBKUKXAMC-JXQTWKCFSA-N 1 3 310.442 0.232 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001366280075 953949003 /nfs/dbraw/zinc/94/90/03/953949003.db2.gz WTBJXVSQSYLPKL-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001366280075 953949012 /nfs/dbraw/zinc/94/90/12/953949012.db2.gz WTBJXVSQSYLPKL-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNC(=O)CN(C)C2CCC2)C1 ZINC001283074211 953981279 /nfs/dbraw/zinc/98/12/79/953981279.db2.gz FMQDQFGQQJDZHU-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)CN(C)C2CCC2)C1 ZINC001283074211 953981284 /nfs/dbraw/zinc/98/12/84/953981284.db2.gz FMQDQFGQQJDZHU-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](N[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001366351794 954078958 /nfs/dbraw/zinc/07/89/58/954078958.db2.gz GRKBSULXCHEPAW-JSGCOSHPSA-N 1 3 312.458 0.465 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001366354565 954082298 /nfs/dbraw/zinc/08/22/98/954082298.db2.gz OIELOCKJKVGKFO-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001366415780 954170637 /nfs/dbraw/zinc/17/06/37/954170637.db2.gz RUEAYNPBAYWVLM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)CCc2ccnn2C)C1 ZINC001366564070 954427796 /nfs/dbraw/zinc/42/77/96/954427796.db2.gz ADVMSAXMLYMGOZ-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)CCc2ccnn2C)C1 ZINC001366564070 954427803 /nfs/dbraw/zinc/42/78/03/954427803.db2.gz ADVMSAXMLYMGOZ-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001283548646 954443864 /nfs/dbraw/zinc/44/38/64/954443864.db2.gz NNFKKLMFNLCGDJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001283548646 954443871 /nfs/dbraw/zinc/44/38/71/954443871.db2.gz NNFKKLMFNLCGDJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)COCC[NH3+])cc2)CC1 ZINC001349054450 954585649 /nfs/dbraw/zinc/58/56/49/954585649.db2.gz AFEAHTZXZONFLW-UHFFFAOYSA-N 1 3 306.410 0.742 20 0 DCADHO CN(CC(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCC1 ZINC001349070166 954589984 /nfs/dbraw/zinc/58/99/84/954589984.db2.gz SWBVAAUQIKBWRF-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)NCCCCCC[NH3+])C2)nn1 ZINC001349119166 954607932 /nfs/dbraw/zinc/60/79/32/954607932.db2.gz NAORODWTXRMYLH-CQSZACIVSA-N 1 3 323.445 0.602 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C ZINC001283927783 954721781 /nfs/dbraw/zinc/72/17/81/954721781.db2.gz NRMWVNIFANJIJB-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001366771352 954814180 /nfs/dbraw/zinc/81/41/80/954814180.db2.gz DJUPHRYLAIJQPE-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001366775667 954825132 /nfs/dbraw/zinc/82/51/32/954825132.db2.gz QXOFARMHVSXXBM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001366854650 954940157 /nfs/dbraw/zinc/94/01/57/954940157.db2.gz UPNPJJMLNXOWDO-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366854650 954940162 /nfs/dbraw/zinc/94/01/62/954940162.db2.gz UPNPJJMLNXOWDO-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC001349971003 954948755 /nfs/dbraw/zinc/94/87/55/954948755.db2.gz UXOMGGZLJUGOOZ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001350091170 954990665 /nfs/dbraw/zinc/99/06/65/954990665.db2.gz UDPFGSXQFZLLGE-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001367100252 955311139 /nfs/dbraw/zinc/31/11/39/955311139.db2.gz ZCZNRBPVEPUHGY-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001367100252 955311148 /nfs/dbraw/zinc/31/11/48/955311148.db2.gz ZCZNRBPVEPUHGY-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001351740087 955396206 /nfs/dbraw/zinc/39/62/06/955396206.db2.gz JCMCEDKZNHORID-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001351740087 955396223 /nfs/dbraw/zinc/39/62/23/955396223.db2.gz JCMCEDKZNHORID-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC(CCNC(=O)CN2CCCC2)CC1 ZINC001367213711 955465172 /nfs/dbraw/zinc/46/51/72/955465172.db2.gz MNLCYMDAMOMZTE-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001367237354 955502888 /nfs/dbraw/zinc/50/28/88/955502888.db2.gz AEOBLFZMONQBAI-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001480117089 955511571 /nfs/dbraw/zinc/51/15/71/955511571.db2.gz CZSXQFYECMBHLL-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001367282643 955582024 /nfs/dbraw/zinc/58/20/24/955582024.db2.gz BLEPGFBDFCOXBB-DZGCQCFKSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CCCC1 ZINC001367328845 955652863 /nfs/dbraw/zinc/65/28/63/955652863.db2.gz FEJKWUGURLPRPL-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCC1)C(N)=O ZINC001367332571 955656767 /nfs/dbraw/zinc/65/67/67/955656767.db2.gz XZTIYPSZDDBDQT-ZDUSSCGKSA-N 1 3 324.469 0.753 20 0 DCADHO CS(=O)(=O)N1CCC(C[N@@H+]2CCCC[C@@H](CN)C2)CC1 ZINC000821933471 956278320 /nfs/dbraw/zinc/27/83/20/956278320.db2.gz MDILUXTZKYGQRN-AWEZNQCLSA-N 1 3 303.472 0.719 20 0 DCADHO CS(=O)(=O)N1CCC(C[N@H+]2CCCC[C@@H](CN)C2)CC1 ZINC000821933471 956278338 /nfs/dbraw/zinc/27/83/38/956278338.db2.gz MDILUXTZKYGQRN-AWEZNQCLSA-N 1 3 303.472 0.719 20 0 DCADHO CS(=O)(=O)N1CCC(CN2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000821933471 956278347 /nfs/dbraw/zinc/27/83/47/956278347.db2.gz MDILUXTZKYGQRN-AWEZNQCLSA-N 1 3 303.472 0.719 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CCCO1 ZINC001200688033 956415605 /nfs/dbraw/zinc/41/56/05/956415605.db2.gz JJGUUIFDOOUYNN-LSDHHAIUSA-N 1 3 313.442 0.180 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001292856537 957176050 /nfs/dbraw/zinc/17/60/50/957176050.db2.gz GQUHAQNLMVYTJF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)N(C)C ZINC001292916985 957196688 /nfs/dbraw/zinc/19/66/88/957196688.db2.gz VIDFDKIMNKAHFC-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)CC[C@H]1CCC[N@H+]1C)N(C)C ZINC001292916985 957196696 /nfs/dbraw/zinc/19/66/96/957196696.db2.gz VIDFDKIMNKAHFC-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO [NH3+]CCCSCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001357384245 957261589 /nfs/dbraw/zinc/26/15/89/957261589.db2.gz IBZFEUDBHURAIS-STQMWFEESA-N 1 3 301.456 0.438 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001367401095 957770031 /nfs/dbraw/zinc/77/00/31/957770031.db2.gz WRRYSXILTWJACD-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCc1cnnn1C ZINC001367433736 957804078 /nfs/dbraw/zinc/80/40/78/957804078.db2.gz AWFNPODQLXHCDQ-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367514820 957942891 /nfs/dbraw/zinc/94/28/91/957942891.db2.gz MUNBNPUUXFAEQU-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001367514820 957942906 /nfs/dbraw/zinc/94/29/06/957942906.db2.gz MUNBNPUUXFAEQU-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnccc1C)N(C)C ZINC001367615959 958187496 /nfs/dbraw/zinc/18/74/96/958187496.db2.gz IXFGZCUMFGGOEW-CABCVRRESA-N 1 3 308.426 0.297 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)c1sccc1Cl ZINC001367673381 958330895 /nfs/dbraw/zinc/33/08/95/958330895.db2.gz DHUFFJJJGCFPIG-APPZFPTMSA-N 1 3 301.799 0.998 20 0 DCADHO C[C@H](O)[C@H](O)C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001414113360 958331551 /nfs/dbraw/zinc/33/15/51/958331551.db2.gz HAZMUZGVULDHSO-GXSJLCMTSA-N 1 3 312.370 0.655 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001367759535 958517471 /nfs/dbraw/zinc/51/74/71/958517471.db2.gz AMWPTOWVXNUHSL-LBPRGKRZSA-N 1 3 306.410 0.202 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+]1CCCCC1)C(=O)NC1CC1 ZINC001367774752 958547787 /nfs/dbraw/zinc/54/77/87/958547787.db2.gz BODXZSXKOLJZQM-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298412101 958591068 /nfs/dbraw/zinc/59/10/68/958591068.db2.gz BQAPJYTVRBVZBY-DHCBQETCSA-N 1 3 319.409 0.001 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001298412101 958591076 /nfs/dbraw/zinc/59/10/76/958591076.db2.gz BQAPJYTVRBVZBY-DHCBQETCSA-N 1 3 319.409 0.001 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@H]21 ZINC001548923737 1013183523 /nfs/dbraw/zinc/18/35/23/1013183523.db2.gz ZQZPKUKWUUJEOP-VNQPRFMTSA-N 1 3 300.406 0.877 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCCNC1=O ZINC001491578784 958872136 /nfs/dbraw/zinc/87/21/36/958872136.db2.gz HICJISGNBCKDQU-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001376805846 958886015 /nfs/dbraw/zinc/88/60/15/958886015.db2.gz DOYVMOCWCZIHMQ-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001491636722 958986533 /nfs/dbraw/zinc/98/65/33/958986533.db2.gz LVKQGFOTFPUVDI-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001491636722 958986544 /nfs/dbraw/zinc/98/65/44/958986544.db2.gz LVKQGFOTFPUVDI-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001376941051 959178066 /nfs/dbraw/zinc/17/80/66/959178066.db2.gz MEAZDSSPLSJLGU-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001377068349 959423250 /nfs/dbraw/zinc/42/32/50/959423250.db2.gz QXCNMCHEWISDEV-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001377090007 959453688 /nfs/dbraw/zinc/45/36/88/959453688.db2.gz COAFYBCPZUHTLC-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001480639013 959553830 /nfs/dbraw/zinc/55/38/30/959553830.db2.gz YAAPNKIITMICRC-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)C1=O ZINC001492034100 959570934 /nfs/dbraw/zinc/57/09/34/959570934.db2.gz CFRIUJFRMLNPPG-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)C[C@H](C)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001368292273 959627235 /nfs/dbraw/zinc/62/72/35/959627235.db2.gz XPEGYMRJQRVEGY-GJZGRUSLSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[C@H](C)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001368292273 959627222 /nfs/dbraw/zinc/62/72/22/959627222.db2.gz XPEGYMRJQRVEGY-GJZGRUSLSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](NCc1nccn1C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368336622 959697254 /nfs/dbraw/zinc/69/72/54/959697254.db2.gz PWABMCFOZBHVLB-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[NH2+]C1CCN(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001368360515 959730470 /nfs/dbraw/zinc/73/04/70/959730470.db2.gz HEVPAQKWWHUESZ-OAHLLOKOSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001362658596 959783592 /nfs/dbraw/zinc/78/35/92/959783592.db2.gz WAIPYAVAOIYQIL-MJBXVCDLSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001362658596 959783600 /nfs/dbraw/zinc/78/36/00/959783600.db2.gz WAIPYAVAOIYQIL-MJBXVCDLSA-N 1 3 312.458 0.276 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)C[C@H]1CCc2ncnn21)C1CCC1 ZINC001492279354 959793780 /nfs/dbraw/zinc/79/37/80/959793780.db2.gz DGSFDIIGRJOSKG-CQSZACIVSA-N 1 3 320.441 0.298 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)C[C@H]1CCc2ncnn21)C1CCC1 ZINC001492279354 959793794 /nfs/dbraw/zinc/79/37/94/959793794.db2.gz DGSFDIIGRJOSKG-CQSZACIVSA-N 1 3 320.441 0.298 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1NCC(N)=O ZINC001377270013 959831150 /nfs/dbraw/zinc/83/11/50/959831150.db2.gz DOXFDJCXXPEKRN-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(=O)NCC[N@H+](CC)C[C@H]1CCc2ncnn21)N(C)C ZINC001377359353 959971843 /nfs/dbraw/zinc/97/18/43/959971843.db2.gz FIIALVZXYNYVRQ-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@H](C(=O)NCC[N@@H+](CC)C[C@H]1CCc2ncnn21)N(C)C ZINC001377359353 959971850 /nfs/dbraw/zinc/97/18/50/959971850.db2.gz FIIALVZXYNYVRQ-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368622783 960097953 /nfs/dbraw/zinc/09/79/53/960097953.db2.gz NIRSEGVYUHVTES-INIZCTEOSA-N 1 3 308.426 0.941 20 0 DCADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](C[C@@H](C)OC)CC1)N(C)C ZINC001377566211 960289017 /nfs/dbraw/zinc/28/90/17/960289017.db2.gz LWKFCLBEAAEQKO-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001377593084 960332177 /nfs/dbraw/zinc/33/21/77/960332177.db2.gz XJQSYOAIEYVQKX-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001377593084 960332187 /nfs/dbraw/zinc/33/21/87/960332187.db2.gz XJQSYOAIEYVQKX-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377602115 960346035 /nfs/dbraw/zinc/34/60/35/960346035.db2.gz BKBGMZNCHOBRMB-WFASDCNBSA-N 1 3 324.425 0.176 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001377713527 960486467 /nfs/dbraw/zinc/48/64/67/960486467.db2.gz KWIQGDFFKIUDKY-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001377723173 960501906 /nfs/dbraw/zinc/50/19/06/960501906.db2.gz IEALQQFEAIIBKL-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377774278 960625753 /nfs/dbraw/zinc/62/57/53/960625753.db2.gz XQPHYZFMLDNARR-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377774278 960625764 /nfs/dbraw/zinc/62/57/64/960625764.db2.gz XQPHYZFMLDNARR-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCN(C)C3=O)CC2)CC1 ZINC001363266401 960739297 /nfs/dbraw/zinc/73/92/97/960739297.db2.gz SIEJZGIPTYVHIQ-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CCN1CCC([N@H+]2CCCN([C@H]3CCN(C)C3=O)CC2)CC1 ZINC001363266401 960739310 /nfs/dbraw/zinc/73/93/10/960739310.db2.gz SIEJZGIPTYVHIQ-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CCCC[C@@H](CN[C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001378448510 960773522 /nfs/dbraw/zinc/77/35/22/960773522.db2.gz ZNVTYOHRXYKDSA-OCCSQVGLSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001378772450 961447296 /nfs/dbraw/zinc/44/72/96/961447296.db2.gz AQYWFAAYOIWDLF-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378788986 961479590 /nfs/dbraw/zinc/47/95/90/961479590.db2.gz NROBFZHNJIROFU-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001378818755 961539697 /nfs/dbraw/zinc/53/96/97/961539697.db2.gz WHGJXOKPLCFCOT-ZIAGYGMSSA-N 1 3 314.474 0.630 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001378834732 961567491 /nfs/dbraw/zinc/56/74/91/961567491.db2.gz QMYXUALDFDBVFP-NHYWBVRUSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001378834732 961567498 /nfs/dbraw/zinc/56/74/98/961567498.db2.gz QMYXUALDFDBVFP-NHYWBVRUSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378834732 961567502 /nfs/dbraw/zinc/56/75/02/961567502.db2.gz QMYXUALDFDBVFP-NHYWBVRUSA-N 1 3 316.421 0.121 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001378846690 961591436 /nfs/dbraw/zinc/59/14/36/961591436.db2.gz UQNHOKQRINPFGX-ZFWWWQNUSA-N 1 3 314.474 0.487 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCCC1 ZINC001378896001 961673653 /nfs/dbraw/zinc/67/36/53/961673653.db2.gz TZWIOSCCLULEKS-AWEZNQCLSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](C(N)=O)N(C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001378914653 961702058 /nfs/dbraw/zinc/70/20/58/961702058.db2.gz FHTNLBPKRNALIC-DZGCQCFKSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](C(N)=O)N(C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001378914653 961702066 /nfs/dbraw/zinc/70/20/66/961702066.db2.gz FHTNLBPKRNALIC-DZGCQCFKSA-N 1 3 324.469 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001378931571 961722273 /nfs/dbraw/zinc/72/22/73/961722273.db2.gz ZMNFUUBAHWMYNG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001379750994 961938603 /nfs/dbraw/zinc/93/86/03/961938603.db2.gz NJCJBARHTMTMQP-CZUORRHYSA-N 1 3 312.458 0.386 20 0 DCADHO Cn1cc(CNCC2(O)CC[NH+](C)CC2)c(C2CCOCC2)n1 ZINC001363877642 962065647 /nfs/dbraw/zinc/06/56/47/962065647.db2.gz QPQCCTFHZCFNJO-UHFFFAOYSA-N 1 3 322.453 0.860 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001379851922 962145123 /nfs/dbraw/zinc/14/51/23/962145123.db2.gz BSPAZIGMOGWIQG-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001379854928 962150909 /nfs/dbraw/zinc/15/09/09/962150909.db2.gz IDMHOBSGDSYKIT-KGLIPLIRSA-N 1 3 310.442 0.090 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001379869903 962182159 /nfs/dbraw/zinc/18/21/59/962182159.db2.gz HOYTWJAROVMCMW-CQSZACIVSA-N 1 3 324.469 0.609 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001379869903 962182174 /nfs/dbraw/zinc/18/21/74/962182174.db2.gz HOYTWJAROVMCMW-CQSZACIVSA-N 1 3 324.469 0.609 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001430298754 1013331456 /nfs/dbraw/zinc/33/14/56/1013331456.db2.gz CLXJSLZHOILHCF-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001430298754 1013331459 /nfs/dbraw/zinc/33/14/59/1013331459.db2.gz CLXJSLZHOILHCF-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C1CC1 ZINC001379230152 962412204 /nfs/dbraw/zinc/41/22/04/962412204.db2.gz VMNDVJDZQLNKOC-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCCN2C)o1 ZINC001379236871 962433282 /nfs/dbraw/zinc/43/32/82/962433282.db2.gz XYMPUEUCAOGQIY-JSGCOSHPSA-N 1 3 310.398 0.034 20 0 DCADHO CC[C@@H](F)CNC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001447285129 1013344633 /nfs/dbraw/zinc/34/46/33/1013344633.db2.gz ZPYLPRQLIBXJSM-KGLIPLIRSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)NCC(N)=O ZINC001379262304 962493099 /nfs/dbraw/zinc/49/30/99/962493099.db2.gz ILAANRFOWNDCGM-GFCCVEGCSA-N 1 3 310.442 0.030 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001380149605 962766291 /nfs/dbraw/zinc/76/62/91/962766291.db2.gz MJMXEAYYHQDLIU-RUXDESIVSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CCC[N@H+](C)CCn1cncn1)C(=O)[C@@H]1CCCCN1C ZINC001447340660 1013379655 /nfs/dbraw/zinc/37/96/55/1013379655.db2.gz JTWYSQLSNPYFSL-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CCCCN1C ZINC001447340660 1013379667 /nfs/dbraw/zinc/37/96/67/1013379667.db2.gz JTWYSQLSNPYFSL-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCC([N@H+](C)CCCO)CC1 ZINC001364354495 962946289 /nfs/dbraw/zinc/94/62/89/962946289.db2.gz ZIWQFPBZMMNHHY-INIZCTEOSA-N 1 3 313.486 0.733 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCC([N@@H+](C)CCCO)CC1 ZINC001364354495 962946300 /nfs/dbraw/zinc/94/63/00/962946300.db2.gz ZIWQFPBZMMNHHY-INIZCTEOSA-N 1 3 313.486 0.733 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001380287593 962997801 /nfs/dbraw/zinc/99/78/01/962997801.db2.gz BEGLNICQMCRXMO-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001380291591 963001959 /nfs/dbraw/zinc/00/19/59/963001959.db2.gz MZJVPVDYPGOCRK-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001380291581 963002046 /nfs/dbraw/zinc/00/20/46/963002046.db2.gz MZJVPVDYPGOCRK-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001380293696 963003575 /nfs/dbraw/zinc/00/35/75/963003575.db2.gz QOTSBBWAWQPRNL-CQSZACIVSA-N 1 3 322.457 0.720 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001380293696 963003590 /nfs/dbraw/zinc/00/35/90/963003590.db2.gz QOTSBBWAWQPRNL-CQSZACIVSA-N 1 3 322.457 0.720 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001379591774 963232839 /nfs/dbraw/zinc/23/28/39/963232839.db2.gz VVGWVTNJJDNLKU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](CNCc2cnns2)C1 ZINC001379677852 963372840 /nfs/dbraw/zinc/37/28/40/963372840.db2.gz OJRMDMWYBBAPBS-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001380692602 963494583 /nfs/dbraw/zinc/49/45/83/963494583.db2.gz UDCZAOFGLGXAEJ-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001380692602 963494588 /nfs/dbraw/zinc/49/45/88/963494588.db2.gz UDCZAOFGLGXAEJ-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)CN1CCCC1 ZINC001380833654 963619426 /nfs/dbraw/zinc/61/94/26/963619426.db2.gz PPSKMGARRJOLBZ-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCC(=O)N(C)C ZINC001381123840 963829683 /nfs/dbraw/zinc/82/96/83/963829683.db2.gz OSKGXVMCVXEQLH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN(CC)CC ZINC001375158131 964076748 /nfs/dbraw/zinc/07/67/48/964076748.db2.gz DQSITWADHXMCJQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1ccc(CNC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC001375236847 964160192 /nfs/dbraw/zinc/16/01/92/964160192.db2.gz BBWNWBWOFAQTGY-CVEARBPZSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CNC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)n1 ZINC001375236847 964160199 /nfs/dbraw/zinc/16/01/99/964160199.db2.gz BBWNWBWOFAQTGY-CVEARBPZSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CNC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001375247387 964169973 /nfs/dbraw/zinc/16/99/73/964169973.db2.gz VVTYXIGIGAGUMF-CABCVRRESA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CNC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001375247387 964169976 /nfs/dbraw/zinc/16/99/76/964169976.db2.gz VVTYXIGIGAGUMF-CABCVRRESA-N 1 3 319.453 0.889 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)C1=O ZINC001375277968 964198181 /nfs/dbraw/zinc/19/81/81/964198181.db2.gz RQCJWIZNPCALND-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)(C(=O)NCC1(N[C@H]2CCCNC2=O)CC1)[NH+]1CCCC1 ZINC001375457258 964423183 /nfs/dbraw/zinc/42/31/83/964423183.db2.gz ZAROZDLLOMTMSE-ZDUSSCGKSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001369152095 964462129 /nfs/dbraw/zinc/46/21/29/964462129.db2.gz HEKKPWWFJUFBHP-WFASDCNBSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001375497621 964478094 /nfs/dbraw/zinc/47/80/94/964478094.db2.gz XPIPPMHBXKNDKK-MELADBBJSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001373695119 964487585 /nfs/dbraw/zinc/48/75/85/964487585.db2.gz BKAJROYJCCWPPQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001373695119 964487590 /nfs/dbraw/zinc/48/75/90/964487590.db2.gz BKAJROYJCCWPPQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001375534578 964523012 /nfs/dbraw/zinc/52/30/12/964523012.db2.gz JCMDWSZTFPYNCG-XDQVBPFNSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001375534573 964523327 /nfs/dbraw/zinc/52/33/27/964523327.db2.gz JCMDWSZTFPYNCG-AAVRWANBSA-N 1 3 312.458 0.288 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001375536202 964527475 /nfs/dbraw/zinc/52/74/75/964527475.db2.gz MNDDJMKQWUOLBC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCN1CCCC1=O ZINC001369281227 964648159 /nfs/dbraw/zinc/64/81/59/964648159.db2.gz VENXJGMFGQDHTO-LBPRGKRZSA-N 1 3 307.398 0.011 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1)[NH+](C)C ZINC001369292226 964666114 /nfs/dbraw/zinc/66/61/14/964666114.db2.gz KYGBHXYKKRFQPA-DZGCQCFKSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H](C)C(=O)NC)CCCC1)N(C)C ZINC001373859690 964724888 /nfs/dbraw/zinc/72/48/88/964724888.db2.gz FFGQHMSPAXXSTP-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@@H]1C ZINC001369393151 964885190 /nfs/dbraw/zinc/88/51/90/964885190.db2.gz PABPASBWEUMKPQ-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@@H]1C ZINC001369393151 964885198 /nfs/dbraw/zinc/88/51/98/964885198.db2.gz PABPASBWEUMKPQ-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001369398527 964898658 /nfs/dbraw/zinc/89/86/58/964898658.db2.gz GKRCAXKIIMLOAL-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(CNCc3cnns3)C2)C1 ZINC001375896357 964962660 /nfs/dbraw/zinc/96/26/60/964962660.db2.gz PEASHBALDHZYKX-WFASDCNBSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@](C)(CNCc3cnns3)C2)C1 ZINC001375896357 964962670 /nfs/dbraw/zinc/96/26/70/964962670.db2.gz PEASHBALDHZYKX-WFASDCNBSA-N 1 3 323.466 0.818 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1 ZINC001369455470 965005633 /nfs/dbraw/zinc/00/56/33/965005633.db2.gz IVRRKZNDYHEMPA-STQMWFEESA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374095974 965008210 /nfs/dbraw/zinc/00/82/10/965008210.db2.gz JHSSFDPNLNABCB-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374095974 965008219 /nfs/dbraw/zinc/00/82/19/965008219.db2.gz JHSSFDPNLNABCB-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)CNCc1ccn(C)n1)[NH+](C)C ZINC001374096324 965009098 /nfs/dbraw/zinc/00/90/98/965009098.db2.gz GETQOEHZZZGTDJ-HIFRSBDPSA-N 1 3 309.458 0.848 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)C1=O ZINC001374111814 965025327 /nfs/dbraw/zinc/02/53/27/965025327.db2.gz FWNUGLZFDHJSJM-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001369639121 965240129 /nfs/dbraw/zinc/24/01/29/965240129.db2.gz GLVJRCHPAGFOAS-UHFFFAOYSA-N 1 3 321.425 0.223 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001374376582 965324146 /nfs/dbraw/zinc/32/41/46/965324146.db2.gz HTOMEFXBPAGWDQ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(N)=O ZINC001369746955 965350981 /nfs/dbraw/zinc/35/09/81/965350981.db2.gz LOALGYKOQNQUOC-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(N)=O ZINC001369746955 965350987 /nfs/dbraw/zinc/35/09/87/965350987.db2.gz LOALGYKOQNQUOC-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cncn1C)C1CC1)N(C)C ZINC001376261619 965452347 /nfs/dbraw/zinc/45/23/47/965452347.db2.gz MRMAOVSRRJTTPE-CABCVRRESA-N 1 3 307.442 0.745 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001374512031 965467531 /nfs/dbraw/zinc/46/75/31/965467531.db2.gz DQONQYWDHHEQRM-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374555541 965523149 /nfs/dbraw/zinc/52/31/49/965523149.db2.gz LCGDXSASAJKALN-HNNXBMFYSA-N 1 3 307.442 0.305 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374555541 965523160 /nfs/dbraw/zinc/52/31/60/965523160.db2.gz LCGDXSASAJKALN-HNNXBMFYSA-N 1 3 307.442 0.305 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001376335189 965535048 /nfs/dbraw/zinc/53/50/48/965535048.db2.gz FCSXUYLEOKZUSR-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1cc(CNC[C@@H]2CCC[C@@H]2NC(=O)CCC[NH+](C)C)nn1 ZINC001374569995 965548701 /nfs/dbraw/zinc/54/87/01/965548701.db2.gz GQPJYNLODHWDDI-ZFWWWQNUSA-N 1 3 322.457 0.531 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001376348591 965553164 /nfs/dbraw/zinc/55/31/64/965553164.db2.gz YBNNCTIWNZPFPF-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@@H](F)CNC[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001374658661 965716540 /nfs/dbraw/zinc/71/65/40/965716540.db2.gz CQXIFBNBVQBJHY-CABCVRRESA-N 1 3 317.449 0.922 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC1)N1CCCCC1 ZINC001374686566 965758079 /nfs/dbraw/zinc/75/80/79/965758079.db2.gz VAMFJASOZPKGDR-JKSUJKDBSA-N 1 3 311.470 0.974 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001370112424 965786794 /nfs/dbraw/zinc/78/67/94/965786794.db2.gz FXXVMBOHMNLIGT-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001370112424 965786806 /nfs/dbraw/zinc/78/68/06/965786806.db2.gz FXXVMBOHMNLIGT-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001376583265 965856355 /nfs/dbraw/zinc/85/63/55/965856355.db2.gz YFWSYLQQRKTCOT-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001370216519 965896000 /nfs/dbraw/zinc/89/60/00/965896000.db2.gz QSJGNVADMXJEGL-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001370263572 965934625 /nfs/dbraw/zinc/93/46/25/965934625.db2.gz INXREXCXKICWCE-JKSUJKDBSA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@H](C(=O)NC1CCC([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001376660967 965951652 /nfs/dbraw/zinc/95/16/52/965951652.db2.gz DVYSBUMNJWRGDT-PESDSKBTSA-N 1 3 324.469 0.622 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001370397781 966081056 /nfs/dbraw/zinc/08/10/56/966081056.db2.gz SESHLTUKGMKPGQ-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001370405158 966087609 /nfs/dbraw/zinc/08/76/09/966087609.db2.gz MWOODGPBRHOHBG-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001370405158 966087621 /nfs/dbraw/zinc/08/76/21/966087621.db2.gz MWOODGPBRHOHBG-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001376752490 966119309 /nfs/dbraw/zinc/11/93/09/966119309.db2.gz SEVXRMBFBSPXFC-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001376772399 966147665 /nfs/dbraw/zinc/14/76/65/966147665.db2.gz CAMOFZHATQVORI-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NCc1cccc(C(N)=O)c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381424085 966402647 /nfs/dbraw/zinc/40/26/47/966402647.db2.gz UTURWONACGBYFG-STQMWFEESA-N 1 3 320.437 0.720 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001447919787 1013650248 /nfs/dbraw/zinc/65/02/48/1013650248.db2.gz ZCDFWMNXVJZVND-NEPJUHHUSA-N 1 3 300.447 0.193 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)C[C@@H]1CCc2ncnn21 ZINC001381573315 966546571 /nfs/dbraw/zinc/54/65/71/966546571.db2.gz LKUUDUUPNMKCSA-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001447943000 1013663976 /nfs/dbraw/zinc/66/39/76/1013663976.db2.gz RQOBLJTYMJHBHE-ZALBZXLWSA-N 1 3 324.425 0.319 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370952424 966615425 /nfs/dbraw/zinc/61/54/25/966615425.db2.gz RPFZKUBSYIPKQF-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370952424 966615427 /nfs/dbraw/zinc/61/54/27/966615427.db2.gz RPFZKUBSYIPKQF-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](CNCc1ccnn1C)C1CC1 ZINC001382029481 966877281 /nfs/dbraw/zinc/87/72/81/966877281.db2.gz MQHGJMFUBXWUGD-ZBFHGGJFSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](CNCc1ccnn1C)C1CC1 ZINC001382029481 966877286 /nfs/dbraw/zinc/87/72/86/966877286.db2.gz MQHGJMFUBXWUGD-ZBFHGGJFSA-N 1 3 319.453 0.698 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001382037174 966881861 /nfs/dbraw/zinc/88/18/61/966881861.db2.gz WHBLDVLAAVKVJA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001382037174 966881868 /nfs/dbraw/zinc/88/18/68/966881868.db2.gz WHBLDVLAAVKVJA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001382037175 966881900 /nfs/dbraw/zinc/88/19/00/966881900.db2.gz WHBLDVLAAVKVJA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001382037175 966881905 /nfs/dbraw/zinc/88/19/05/966881905.db2.gz WHBLDVLAAVKVJA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001382145160 966980083 /nfs/dbraw/zinc/98/00/83/966980083.db2.gz YAGFVHBDTSDCLR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001382145160 966980085 /nfs/dbraw/zinc/98/00/85/966980085.db2.gz YAGFVHBDTSDCLR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001447994159 1013692341 /nfs/dbraw/zinc/69/23/41/1013692341.db2.gz VQBABZRPCKOIHI-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001447994159 1013692348 /nfs/dbraw/zinc/69/23/48/1013692348.db2.gz VQBABZRPCKOIHI-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001371554557 967112928 /nfs/dbraw/zinc/11/29/28/967112928.db2.gz GBUKZGSYZSWZIB-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001382306828 967192759 /nfs/dbraw/zinc/19/27/59/967192759.db2.gz CJUOLLNKXIRRHN-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001382306828 967192762 /nfs/dbraw/zinc/19/27/62/967192762.db2.gz CJUOLLNKXIRRHN-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001382344593 967244082 /nfs/dbraw/zinc/24/40/82/967244082.db2.gz LBNWNYSCILAKQQ-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001382379130 967292556 /nfs/dbraw/zinc/29/25/56/967292556.db2.gz DUGGMXQGDVAMFY-QWHCGFSZSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001371825476 967368996 /nfs/dbraw/zinc/36/89/96/967368996.db2.gz ARQQUXSUFBZMSZ-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001382585080 967520514 /nfs/dbraw/zinc/52/05/14/967520514.db2.gz ZFOLJOSLOXMUGM-IYXRBSQSSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373028741 968645521 /nfs/dbraw/zinc/64/55/21/968645521.db2.gz HSRFJLMVHLURDH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001448577547 1013955562 /nfs/dbraw/zinc/95/55/62/1013955562.db2.gz AKOZBKDVHMKWOI-BFHYXJOUSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001448577547 1013955564 /nfs/dbraw/zinc/95/55/64/1013955564.db2.gz AKOZBKDVHMKWOI-BFHYXJOUSA-N 1 3 310.442 0.029 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001448644067 1013978557 /nfs/dbraw/zinc/97/85/57/1013978557.db2.gz AVSIRWSMZHOWRQ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001448644067 1013978560 /nfs/dbraw/zinc/97/85/60/1013978560.db2.gz AVSIRWSMZHOWRQ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001448733442 1014016053 /nfs/dbraw/zinc/01/60/53/1014016053.db2.gz KIHQBEYMFXODPT-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448778390 1014034889 /nfs/dbraw/zinc/03/48/89/1014034889.db2.gz VWTHLQLNPKXKGL-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@@H]2CCNC2=O)C(C)(C)C1 ZINC001449093264 1014184201 /nfs/dbraw/zinc/18/42/01/1014184201.db2.gz SUJNBWLFQCZNPK-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCCC[NH2+]C3)C2)nn1 ZINC001549286951 1014194803 /nfs/dbraw/zinc/19/48/03/1014194803.db2.gz ILIPTUQMZJZBDA-GXTWGEPZSA-N 1 3 306.414 0.290 20 0 DCADHO Cc1c(C(=O)Nc2ccc3c(c2)CNC3)nnn1[C@@H]1CC[NH2+]C1 ZINC001549292611 1014201202 /nfs/dbraw/zinc/20/12/02/1014201202.db2.gz OANRNFYSVGSFIG-CQSZACIVSA-N 1 3 312.377 0.976 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001549295442 1014203718 /nfs/dbraw/zinc/20/37/18/1014203718.db2.gz MLMLGWCNRNNJHQ-GDBMZVCRSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001449185039 1014276357 /nfs/dbraw/zinc/27/63/57/1014276357.db2.gz KKFDHZHFISEHLZ-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001528480186 1014311001 /nfs/dbraw/zinc/31/10/01/1014311001.db2.gz QXTKVZQVXCLJRQ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001528480186 1014311014 /nfs/dbraw/zinc/31/10/14/1014311014.db2.gz QXTKVZQVXCLJRQ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449288540 1014383852 /nfs/dbraw/zinc/38/38/52/1014383852.db2.gz DXKIIGFXJFXMRK-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C(C)(C)C)C1CCC1 ZINC001449292158 1014387129 /nfs/dbraw/zinc/38/71/29/1014387129.db2.gz JWWJZLKDOVVPMT-UONOGXRCSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CCN(CCC(=O)Nc2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC001549728954 1014429279 /nfs/dbraw/zinc/42/92/79/1014429279.db2.gz CSDWQTOOQOVIJT-ZDUSSCGKSA-N 1 3 320.441 0.453 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CC[C@H](C)C1 ZINC001449394587 1014458098 /nfs/dbraw/zinc/45/80/98/1014458098.db2.gz WPTVOKCLMQXPBT-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CC[C@H](C)C1 ZINC001449394587 1014458101 /nfs/dbraw/zinc/45/81/01/1014458101.db2.gz WPTVOKCLMQXPBT-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC001449403514 1014461703 /nfs/dbraw/zinc/46/17/03/1014461703.db2.gz QPBXEXGTQVGRIH-JXQTWKCFSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001523030265 1014525510 /nfs/dbraw/zinc/52/55/10/1014525510.db2.gz ZTOVIYQBSVQYOV-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001523030265 1014525515 /nfs/dbraw/zinc/52/55/15/1014525515.db2.gz ZTOVIYQBSVQYOV-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CN1CC[C@@H](N2CCC(NC(=O)c3ccc(C[NH3+])o3)CC2)C1=O ZINC001550093167 1014562102 /nfs/dbraw/zinc/56/21/02/1014562102.db2.gz YYYSGVGDBPFCME-CYBMUJFWSA-N 1 3 320.393 0.163 20 0 DCADHO C[C@H](CC(=O)N1CC[C@H](n2cc(CN)nn2)C1)[C@@H]1CCC[NH2+]C1 ZINC001550097203 1014568605 /nfs/dbraw/zinc/56/86/05/1014568605.db2.gz BYFDHDLBRLGGSQ-NFAWXSAZSA-N 1 3 320.441 0.536 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001523150607 1014582875 /nfs/dbraw/zinc/58/28/75/1014582875.db2.gz NZRKQOIAQHWVMC-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202431 1014626485 /nfs/dbraw/zinc/62/64/85/1014626485.db2.gz MGHMPPVJBDLBSI-UONOGXRCSA-N 1 3 322.453 0.174 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC001550204961 1014627244 /nfs/dbraw/zinc/62/72/44/1014627244.db2.gz VFGUKTMLMFXTOI-UHFFFAOYSA-N 1 3 308.426 0.071 20 0 DCADHO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550205663 1014628350 /nfs/dbraw/zinc/62/83/50/1014628350.db2.gz VUVZLWSIUCHTGA-CQSZACIVSA-N 1 3 324.469 0.692 20 0 DCADHO [NH3+][C@H]1COCCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001550289961 1014653043 /nfs/dbraw/zinc/65/30/43/1014653043.db2.gz PSLVIAQKNGZKPV-CABCVRRESA-N 1 3 304.394 0.070 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[C@@H](C)CN1 ZINC001550756124 1014843486 /nfs/dbraw/zinc/84/34/86/1014843486.db2.gz ODCGGVOJGASLIJ-RDBSUJKOSA-N 1 3 310.442 0.537 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001550796638 1014867592 /nfs/dbraw/zinc/86/75/92/1014867592.db2.gz JEBHBJOOWCYIGV-KRWDZBQOSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001550796638 1014867602 /nfs/dbraw/zinc/86/76/02/1014867602.db2.gz JEBHBJOOWCYIGV-KRWDZBQOSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)(C)NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550914629 1014912605 /nfs/dbraw/zinc/91/26/05/1014912605.db2.gz YGVKJQQVMJCAIN-SWLSCSKDSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001530812619 1014948224 /nfs/dbraw/zinc/94/82/24/1014948224.db2.gz PYOGQIHZRYNEQT-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001383829020 985122741 /nfs/dbraw/zinc/12/27/41/985122741.db2.gz PLPAQLIAJULEQQ-LBPRGKRZSA-N 1 3 323.441 0.566 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001383829020 985122746 /nfs/dbraw/zinc/12/27/46/985122746.db2.gz PLPAQLIAJULEQQ-LBPRGKRZSA-N 1 3 323.441 0.566 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1C ZINC001384738575 985782077 /nfs/dbraw/zinc/78/20/77/985782077.db2.gz GHFGQUUGSROODE-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1C ZINC001384738575 985782083 /nfs/dbraw/zinc/78/20/83/985782083.db2.gz GHFGQUUGSROODE-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001450478388 1015164966 /nfs/dbraw/zinc/16/49/66/1015164966.db2.gz KRDIJQWEEODXNV-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001385328586 986258893 /nfs/dbraw/zinc/25/88/93/986258893.db2.gz VXKLPGKOQBPYFL-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001385604313 986464738 /nfs/dbraw/zinc/46/47/38/986464738.db2.gz HUQZZQUNEBQXMO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385604313 986464744 /nfs/dbraw/zinc/46/47/44/986464744.db2.gz HUQZZQUNEBQXMO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001385747364 986567434 /nfs/dbraw/zinc/56/74/34/986567434.db2.gz FIHOZWHDNKFTBW-GOEBONIOSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001450674504 1015289457 /nfs/dbraw/zinc/28/94/57/1015289457.db2.gz GCJQTTJJSDVGPN-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001450674504 1015289460 /nfs/dbraw/zinc/28/94/60/1015289460.db2.gz GCJQTTJJSDVGPN-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552153424 1015292443 /nfs/dbraw/zinc/29/24/43/1015292443.db2.gz YZHZLZOFCFQLDB-FPCVCCKLSA-N 1 3 307.438 0.602 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CN(C)C(C)C)C1)[NH+](C)C ZINC001387746467 988111872 /nfs/dbraw/zinc/11/18/72/988111872.db2.gz NSBKJRHNSZZRKH-OAHLLOKOSA-N 1 3 312.458 0.240 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001388696595 988519652 /nfs/dbraw/zinc/51/96/52/988519652.db2.gz DOABDZDXHKTIBN-RQJABVFESA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(CC)CC ZINC001450929421 1015458369 /nfs/dbraw/zinc/45/83/69/1015458369.db2.gz HYLVHVRYBHDHJI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(CC)CC ZINC001450929421 1015458374 /nfs/dbraw/zinc/45/83/74/1015458374.db2.gz HYLVHVRYBHDHJI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001389710157 989507497 /nfs/dbraw/zinc/50/74/97/989507497.db2.gz BTVOGXZMLHEZKE-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001389710157 989507505 /nfs/dbraw/zinc/50/75/05/989507505.db2.gz BTVOGXZMLHEZKE-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C1 ZINC001552701063 1015498977 /nfs/dbraw/zinc/49/89/77/1015498977.db2.gz MHEXEEYFHHJCER-GZBFAFLISA-N 1 3 320.441 0.935 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1)[NH+](CC)CC ZINC001389887739 989664374 /nfs/dbraw/zinc/66/43/74/989664374.db2.gz RILNSONOTVCJEJ-UMVBOHGHSA-N 1 3 322.457 0.672 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C)N(C)C ZINC001390044731 989771881 /nfs/dbraw/zinc/77/18/81/989771881.db2.gz WPBGKUTVOMOKLO-MELADBBJSA-N 1 3 310.442 0.090 20 0 DCADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001390161712 989882886 /nfs/dbraw/zinc/88/28/86/989882886.db2.gz OOJVZYHVLJHMMN-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cc1nc[nH]c1C ZINC001390464064 990125441 /nfs/dbraw/zinc/12/54/41/990125441.db2.gz BYSMBQJNYOTQDR-QWHCGFSZSA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cc1nc[nH]c1C ZINC001390464064 990125442 /nfs/dbraw/zinc/12/54/42/990125442.db2.gz BYSMBQJNYOTQDR-QWHCGFSZSA-N 1 3 321.425 0.223 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001390476794 990134778 /nfs/dbraw/zinc/13/47/78/990134778.db2.gz HSMFKEDJMFPKKX-ZDUSSCGKSA-N 1 3 320.437 0.245 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001390667769 990289187 /nfs/dbraw/zinc/28/91/87/990289187.db2.gz WYCDKGUWXICIJX-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001390706749 990317980 /nfs/dbraw/zinc/31/79/80/990317980.db2.gz OWQDAAKOUZUPPJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001391022327 990520181 /nfs/dbraw/zinc/52/01/81/990520181.db2.gz LNPLUEITHNGBTG-ZIAGYGMSSA-N 1 3 320.441 0.155 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001391022327 990520186 /nfs/dbraw/zinc/52/01/86/990520186.db2.gz LNPLUEITHNGBTG-ZIAGYGMSSA-N 1 3 320.441 0.155 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001391121188 990604153 /nfs/dbraw/zinc/60/41/53/990604153.db2.gz YCCQDRDAPLMLLQ-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001391329118 990750030 /nfs/dbraw/zinc/75/00/30/990750030.db2.gz BUVPUJMFCLTGCR-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(CCCO)C1)[NH+]1CCCCC1 ZINC001391520430 990911649 /nfs/dbraw/zinc/91/16/49/990911649.db2.gz CNGYYOUDNSQQJR-INIZCTEOSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001391698073 991110074 /nfs/dbraw/zinc/11/00/74/991110074.db2.gz XVZZKNFOGPTWRT-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001391698073 991110082 /nfs/dbraw/zinc/11/00/82/991110082.db2.gz XVZZKNFOGPTWRT-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001391821004 991202759 /nfs/dbraw/zinc/20/27/59/991202759.db2.gz YOGBLERKUKDZDX-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001391856976 991229684 /nfs/dbraw/zinc/22/96/84/991229684.db2.gz UZGIQVAXIKKOIY-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001391862559 991233504 /nfs/dbraw/zinc/23/35/04/991233504.db2.gz LRCQUHZCLZURJM-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001391862559 991233514 /nfs/dbraw/zinc/23/35/14/991233514.db2.gz LRCQUHZCLZURJM-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001391935611 991304136 /nfs/dbraw/zinc/30/41/36/991304136.db2.gz MTADCDVHIDHMFI-KBPBESRZSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392126132 991523905 /nfs/dbraw/zinc/52/39/05/991523905.db2.gz SIGJZVUFVVLTTJ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392126132 991523910 /nfs/dbraw/zinc/52/39/10/991523910.db2.gz SIGJZVUFVVLTTJ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392137472 991537846 /nfs/dbraw/zinc/53/78/46/991537846.db2.gz YOCYMDNURVNTHB-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392137472 991537857 /nfs/dbraw/zinc/53/78/57/991537857.db2.gz YOCYMDNURVNTHB-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[C@@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001392151867 991553611 /nfs/dbraw/zinc/55/36/11/991553611.db2.gz LPQNOPUEELUHSJ-OLZOCXBDSA-N 1 3 312.458 0.465 20 0 DCADHO C[NH+](C)C1CC(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553218745 1015643047 /nfs/dbraw/zinc/64/30/47/1015643047.db2.gz DHETWDDLGQLDLY-QDIHITRGSA-N 1 3 324.469 0.567 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001392160481 991561093 /nfs/dbraw/zinc/56/10/93/991561093.db2.gz CDLVYWFKAIRNLZ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001392160481 991561103 /nfs/dbraw/zinc/56/11/03/991561103.db2.gz CDLVYWFKAIRNLZ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CCO)CC2)C1 ZINC001392191890 991591788 /nfs/dbraw/zinc/59/17/88/991591788.db2.gz COAMHVSMMHPWCV-OAHLLOKOSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CCO)CC2)C1 ZINC001392191890 991591804 /nfs/dbraw/zinc/59/18/04/991591804.db2.gz COAMHVSMMHPWCV-OAHLLOKOSA-N 1 3 311.470 0.881 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCc1ccccn1)[NH+](C)C ZINC001392421722 991907682 /nfs/dbraw/zinc/90/76/82/991907682.db2.gz MWXAXDOBRVCJHG-CABCVRRESA-N 1 3 308.426 0.235 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001392532255 992055668 /nfs/dbraw/zinc/05/56/68/992055668.db2.gz ZUSJWYBASRDLAF-VXGBXAGGSA-N 1 3 308.430 0.474 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001392532255 992055676 /nfs/dbraw/zinc/05/56/76/992055676.db2.gz ZUSJWYBASRDLAF-VXGBXAGGSA-N 1 3 308.430 0.474 20 0 DCADHO COC[C@H](O)CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392696271 992278221 /nfs/dbraw/zinc/27/82/21/992278221.db2.gz SGSXAXOWFCBSGS-CBBWQLFWSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@H](O)CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392696271 992278230 /nfs/dbraw/zinc/27/82/30/992278230.db2.gz SGSXAXOWFCBSGS-CBBWQLFWSA-N 1 3 315.458 0.161 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2cnn(C)c2)C2CC2)CCC1 ZINC001392769442 992370293 /nfs/dbraw/zinc/37/02/93/992370293.db2.gz ZBNWRPXZEKHQJI-HNNXBMFYSA-N 1 3 319.453 0.889 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393330684 992887373 /nfs/dbraw/zinc/88/73/73/992887373.db2.gz SGTZEGDZACUZKX-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393330684 992887374 /nfs/dbraw/zinc/88/73/74/992887374.db2.gz SGTZEGDZACUZKX-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393474403 993019492 /nfs/dbraw/zinc/01/94/92/993019492.db2.gz SMIRIUHVUKRONN-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2ccnn2C)CCC1)N(C)C ZINC001393568851 993091020 /nfs/dbraw/zinc/09/10/20/993091020.db2.gz XGVXVFMPOALJCD-HNNXBMFYSA-N 1 3 321.469 0.931 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@](CO)([NH2+]CC2CCC2)C1 ZINC001393699115 993186225 /nfs/dbraw/zinc/18/62/25/993186225.db2.gz SICWVVZRNBSLCZ-MRXNPFEDSA-N 1 3 306.410 0.695 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H](C)COC)CCOCC1)N(C)C ZINC001393715430 993197380 /nfs/dbraw/zinc/19/73/80/993197380.db2.gz GYXRYVOHBPNQFG-KBPBESRZSA-N 1 3 315.458 0.617 20 0 DCADHO CCCN(C)CC(=O)NCC[N@H+](C)C[C@@H]1CCNC(=O)CC1 ZINC001492823853 993247635 /nfs/dbraw/zinc/24/76/35/993247635.db2.gz ITSROACDJVLOMH-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCCN(C)CC(=O)NCC[N@@H+](C)C[C@@H]1CCNC(=O)CC1 ZINC001492823853 993247639 /nfs/dbraw/zinc/24/76/39/993247639.db2.gz ITSROACDJVLOMH-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001393961607 993374399 /nfs/dbraw/zinc/37/43/99/993374399.db2.gz IBAHHVNJMVLWJA-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCn1cncn1 ZINC001393979968 993388968 /nfs/dbraw/zinc/38/89/68/993388968.db2.gz LSZCBAUAFKHDIJ-MNOVXSKESA-N 1 3 305.386 0.035 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001394115791 993488551 /nfs/dbraw/zinc/48/85/51/993488551.db2.gz UDHKSAVJGOHFDZ-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001394198267 993536193 /nfs/dbraw/zinc/53/61/93/993536193.db2.gz TYTWVNCYALAERR-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2C1 ZINC001394343884 993636422 /nfs/dbraw/zinc/63/64/22/993636422.db2.gz DWKWKIIUMWJUSR-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2C1 ZINC001394343884 993636427 /nfs/dbraw/zinc/63/64/27/993636427.db2.gz DWKWKIIUMWJUSR-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)N[C@@H](C)C(N)=O ZINC001394540401 993813083 /nfs/dbraw/zinc/81/30/83/993813083.db2.gz FTGBCCZVWQHVHH-OLZOCXBDSA-N 1 3 320.437 0.672 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001394726513 994063358 /nfs/dbraw/zinc/06/33/58/994063358.db2.gz PBMXJOURBTWXEI-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400160758 994215369 /nfs/dbraw/zinc/21/53/69/994215369.db2.gz YKANBPRSDSULNH-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400160758 994215377 /nfs/dbraw/zinc/21/53/77/994215377.db2.gz YKANBPRSDSULNH-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001394860288 994223536 /nfs/dbraw/zinc/22/35/36/994223536.db2.gz KSBVLJCBZYLIHB-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001400221214 994300882 /nfs/dbraw/zinc/30/08/82/994300882.db2.gz FOPWZNQXHYUHDB-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001400221214 994300893 /nfs/dbraw/zinc/30/08/93/994300893.db2.gz FOPWZNQXHYUHDB-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC001400288709 994385636 /nfs/dbraw/zinc/38/56/36/994385636.db2.gz GKILDPSIDHGBFH-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001507010679 1015884908 /nfs/dbraw/zinc/88/49/08/1015884908.db2.gz JUPYSODNENNQKX-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507027585 1015902525 /nfs/dbraw/zinc/90/25/25/1015902525.db2.gz KQFFJTAGZWFOGD-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001400873257 995028439 /nfs/dbraw/zinc/02/84/39/995028439.db2.gz YVCLUJFFEVEJJX-DOMZBBRYSA-N 1 3 303.422 0.676 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001396514786 995443414 /nfs/dbraw/zinc/44/34/14/995443414.db2.gz SLYVQUIHVLJVLR-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396514786 995443421 /nfs/dbraw/zinc/44/34/21/995443421.db2.gz SLYVQUIHVLJVLR-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001396916246 995681657 /nfs/dbraw/zinc/68/16/57/995681657.db2.gz CPBGOJBATVJCPX-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001396916246 995681662 /nfs/dbraw/zinc/68/16/62/995681662.db2.gz CPBGOJBATVJCPX-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCCO)C1 ZINC001397185406 995848488 /nfs/dbraw/zinc/84/84/88/995848488.db2.gz IAGGDVKCMIPAOX-QAETUUGQSA-N 1 3 323.481 0.878 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCCO)C1 ZINC001397185406 995848492 /nfs/dbraw/zinc/84/84/92/995848492.db2.gz IAGGDVKCMIPAOX-QAETUUGQSA-N 1 3 323.481 0.878 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001397593069 996087143 /nfs/dbraw/zinc/08/71/43/996087143.db2.gz LINBWTPAOWOFAZ-IMJJTQAJSA-N 1 3 321.469 0.991 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001397628391 996105196 /nfs/dbraw/zinc/10/51/96/996105196.db2.gz JSDFIPVUSXPGEY-MJBXVCDLSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001397680106 996128650 /nfs/dbraw/zinc/12/86/50/996128650.db2.gz SENUZGOTAVIDES-RBSFLKMASA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001398045866 996333122 /nfs/dbraw/zinc/33/31/22/996333122.db2.gz YQNJQGZQUZFTJB-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C(=O)COC1CC[NH+](C)CC1)C1CCN(CCO)CC1 ZINC001398192722 996406312 /nfs/dbraw/zinc/40/63/12/996406312.db2.gz NUGSGMWTZCWUPK-UHFFFAOYSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001507155711 1016038211 /nfs/dbraw/zinc/03/82/11/1016038211.db2.gz TVTFDQJCZDOHBS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001507155711 1016038221 /nfs/dbraw/zinc/03/82/21/1016038221.db2.gz TVTFDQJCZDOHBS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001398525031 996553206 /nfs/dbraw/zinc/55/32/06/996553206.db2.gz ZSGSQPDJRWFUGK-MJBXVCDLSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC001398651228 996621668 /nfs/dbraw/zinc/62/16/68/996621668.db2.gz IGURWZDLUBWPIU-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)NC(C)(C)C)[NH+](C)C ZINC001399037445 996872617 /nfs/dbraw/zinc/87/26/17/996872617.db2.gz MPRZLELDWKUYGK-TZMCWYRMSA-N 1 3 314.474 0.582 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001399115433 996984122 /nfs/dbraw/zinc/98/41/22/996984122.db2.gz WOFRLPSDJZIEAD-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001399115433 996984136 /nfs/dbraw/zinc/98/41/36/996984136.db2.gz WOFRLPSDJZIEAD-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001399243703 997116575 /nfs/dbraw/zinc/11/65/75/997116575.db2.gz NXOLGHNMSBCCCQ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCn2cncn2)C1 ZINC001404565848 997240726 /nfs/dbraw/zinc/24/07/26/997240726.db2.gz FDZDFGQAVDBVDC-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001404565848 997240739 /nfs/dbraw/zinc/24/07/39/997240739.db2.gz FDZDFGQAVDBVDC-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399378597 997287169 /nfs/dbraw/zinc/28/71/69/997287169.db2.gz UUKWIYLICADPKN-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399378597 997287184 /nfs/dbraw/zinc/28/71/84/997287184.db2.gz UUKWIYLICADPKN-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001399407084 997324275 /nfs/dbraw/zinc/32/42/75/997324275.db2.gz ZEAJFWGKALHUEO-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001404647243 997329148 /nfs/dbraw/zinc/32/91/48/997329148.db2.gz ITOIDJJFGFCGGO-RDBSUJKOSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)NCc1ccn(C)n1)[NH+](C)C ZINC001399420436 997346614 /nfs/dbraw/zinc/34/66/14/997346614.db2.gz RQUIKEMNDXDJMQ-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001405773858 998549220 /nfs/dbraw/zinc/54/92/20/998549220.db2.gz GZNOFCCSBKPZPN-CQSZACIVSA-N 1 3 324.469 0.753 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001507441831 1016331513 /nfs/dbraw/zinc/33/15/13/1016331513.db2.gz DGAARMDUQNGYPQ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCc1cc2n(n1)CCC2)CNC(=O)CC[NH+](C)C ZINC001401125039 1000210435 /nfs/dbraw/zinc/21/04/35/1000210435.db2.gz IOUIEOLDHWJWEG-CYBMUJFWSA-N 1 3 307.442 0.623 20 0 DCADHO COc1ccc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001418433796 1000214873 /nfs/dbraw/zinc/21/48/73/1000214873.db2.gz XAZYKTWIEOXZNR-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001418433796 1000214879 /nfs/dbraw/zinc/21/48/79/1000214879.db2.gz XAZYKTWIEOXZNR-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)C12CC[NH+](CC1)C2 ZINC001401132073 1000216048 /nfs/dbraw/zinc/21/60/48/1000216048.db2.gz AQSOKRRQRRZBTP-NSHDSACASA-N 1 3 309.439 0.476 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)nn1C ZINC001401141360 1000223797 /nfs/dbraw/zinc/22/37/97/1000223797.db2.gz WZWVKCIVPDMQCO-ZDUSSCGKSA-N 1 3 319.453 0.666 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001401267259 1000322579 /nfs/dbraw/zinc/32/25/79/1000322579.db2.gz QTLAUBJZVWMXON-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO Cn1cc(CNC[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001401499727 1000455797 /nfs/dbraw/zinc/45/57/97/1000455797.db2.gz SJOMDWJKTSKVPQ-GXTWGEPZSA-N 1 3 308.430 0.141 20 0 DCADHO Cn1cc(CNC[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001401499803 1000455936 /nfs/dbraw/zinc/45/59/36/1000455936.db2.gz SJOMDWJKTSKVPQ-TZMCWYRMSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)N(C)C ZINC001418823741 1000552075 /nfs/dbraw/zinc/55/20/75/1000552075.db2.gz NABVDJFUELOXFA-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001418829268 1000555194 /nfs/dbraw/zinc/55/51/94/1000555194.db2.gz MGLYCXKFWRXMCA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001418829268 1000555203 /nfs/dbraw/zinc/55/52/03/1000555203.db2.gz MGLYCXKFWRXMCA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C)NC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401639047 1000577767 /nfs/dbraw/zinc/57/77/67/1000577767.db2.gz MDJHSYPXRQCSSU-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001401653405 1000593399 /nfs/dbraw/zinc/59/33/99/1000593399.db2.gz QBPKZRKFKXZZTN-IUODEOHRSA-N 1 3 318.421 0.345 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001418913419 1000611166 /nfs/dbraw/zinc/61/11/66/1000611166.db2.gz KSQLCGSGBIXMEC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001418913419 1000611170 /nfs/dbraw/zinc/61/11/70/1000611170.db2.gz KSQLCGSGBIXMEC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001401679779 1000618195 /nfs/dbraw/zinc/61/81/95/1000618195.db2.gz AHHOIULAVWQWQB-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001401679779 1000618197 /nfs/dbraw/zinc/61/81/97/1000618197.db2.gz AHHOIULAVWQWQB-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CN(CC(=O)NCCN1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC001419127450 1000798587 /nfs/dbraw/zinc/79/85/87/1000798587.db2.gz YDAQIGQCVJAODM-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001401875842 1000808378 /nfs/dbraw/zinc/80/83/78/1000808378.db2.gz RPDCXDCXZDMOJW-HNNXBMFYSA-N 1 3 320.441 0.141 20 0 DCADHO CNC(=O)CNCC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001419311830 1000968061 /nfs/dbraw/zinc/96/80/61/1000968061.db2.gz WKHFICQNLIASCG-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1C[C@H](NCc2cnns2)CCN1C(=O)CC[NH+](C)C ZINC001402051588 1000975261 /nfs/dbraw/zinc/97/52/61/1000975261.db2.gz OSTPOXOWGLEBQR-NWDGAFQWSA-N 1 3 311.455 0.959 20 0 DCADHO Cn1nncc1CNCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001419323942 1000975850 /nfs/dbraw/zinc/97/58/50/1000975850.db2.gz VZIGNXRZVYJSNE-ZDUSSCGKSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nncc1CNCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419323942 1000975854 /nfs/dbraw/zinc/97/58/54/1000975854.db2.gz VZIGNXRZVYJSNE-ZDUSSCGKSA-N 1 3 320.441 0.285 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001419421818 1001037438 /nfs/dbraw/zinc/03/74/38/1001037438.db2.gz BCELWZBOWBXCNM-MCIONIFRSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419473987 1001081493 /nfs/dbraw/zinc/08/14/93/1001081493.db2.gz FWZZPDKXLIIHSK-GUTXKFCHSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001402175382 1001085811 /nfs/dbraw/zinc/08/58/11/1001085811.db2.gz YGYABIFYXLNSDN-LZWOXQAQSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cnns1 ZINC001419508157 1001104417 /nfs/dbraw/zinc/10/44/17/1001104417.db2.gz JIHPJULTYMZFBW-NWDGAFQWSA-N 1 3 311.455 0.722 20 0 DCADHO CO[C@H](C)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC001402245011 1001134412 /nfs/dbraw/zinc/13/44/12/1001134412.db2.gz SPGUJJYPYZBSPU-CQSZACIVSA-N 1 3 315.458 0.617 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001419720472 1001250066 /nfs/dbraw/zinc/25/00/66/1001250066.db2.gz MATDALLWSADENN-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001419737370 1001265639 /nfs/dbraw/zinc/26/56/39/1001265639.db2.gz BXWCXZCUXISWHR-NEPJUHHUSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001419737370 1001265647 /nfs/dbraw/zinc/26/56/47/1001265647.db2.gz BXWCXZCUXISWHR-NEPJUHHUSA-N 1 3 310.446 0.952 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)CN[C@@H]2CCNC2=O)CC1 ZINC001419747874 1001276666 /nfs/dbraw/zinc/27/66/66/1001276666.db2.gz UEERAGAYGDVVDG-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]([NH2+]CC(=O)N1CCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402414098 1001287973 /nfs/dbraw/zinc/28/79/73/1001287973.db2.gz ROMHPYFTLRUYNL-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N(C)C)C2 ZINC001402415053 1001288341 /nfs/dbraw/zinc/28/83/41/1001288341.db2.gz QFASMGQWLRCMFS-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N(C)C)C2 ZINC001402415053 1001288347 /nfs/dbraw/zinc/28/83/47/1001288347.db2.gz QFASMGQWLRCMFS-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCn2cncn2)C1 ZINC001402420962 1001292604 /nfs/dbraw/zinc/29/26/04/1001292604.db2.gz XIYOVMLMIYACRR-LSDHHAIUSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@@H]([NH2+]CCn1cccn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402421068 1001292658 /nfs/dbraw/zinc/29/26/58/1001292658.db2.gz YEIARQFFCTUUGR-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(CC)CC)C1)N(C)C ZINC001402520763 1001380386 /nfs/dbraw/zinc/38/03/86/1001380386.db2.gz ZMCDZIDLJSBGIO-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1)C1CC1 ZINC001402551693 1001401748 /nfs/dbraw/zinc/40/17/48/1001401748.db2.gz OEKXBMUXQIZQCW-HDJSIYSDSA-N 1 3 324.469 0.574 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001402776228 1001497971 /nfs/dbraw/zinc/49/79/71/1001497971.db2.gz UUDJQRJWSMJRNY-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCc1ccnn1C ZINC001402782677 1001499849 /nfs/dbraw/zinc/49/98/49/1001499849.db2.gz SHJXEPBQHXWEFI-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccnn1C ZINC001402884765 1001555687 /nfs/dbraw/zinc/55/56/87/1001555687.db2.gz AXTVYRHBOUALJR-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccnn1C ZINC001402884765 1001555694 /nfs/dbraw/zinc/55/56/94/1001555694.db2.gz AXTVYRHBOUALJR-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001402989567 1001620852 /nfs/dbraw/zinc/62/08/52/1001620852.db2.gz FDCRXTAYGRDOEP-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001402989567 1001620854 /nfs/dbraw/zinc/62/08/54/1001620854.db2.gz FDCRXTAYGRDOEP-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001403084890 1001666683 /nfs/dbraw/zinc/66/66/83/1001666683.db2.gz MYOKVYGGIFKZMG-ZFWWWQNUSA-N 1 3 309.458 0.934 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@H]1CCNC1=O ZINC001403088213 1001669116 /nfs/dbraw/zinc/66/91/16/1001669116.db2.gz RRPYCSGFCOFUSG-DOMZBBRYSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+]1CCCC1)C(=O)N(C)C ZINC001403170673 1001706191 /nfs/dbraw/zinc/70/61/91/1001706191.db2.gz TUDKXDQXXBFFJK-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCn1cncn1 ZINC001403173717 1001706935 /nfs/dbraw/zinc/70/69/35/1001706935.db2.gz VZLMKBJCTDFLPE-ZDUSSCGKSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001420127996 1001916076 /nfs/dbraw/zinc/91/60/76/1001916076.db2.gz NVKPNUMEKOMYKR-HOTGVXAUSA-N 1 3 320.437 0.521 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001420127996 1001916083 /nfs/dbraw/zinc/91/60/83/1001916083.db2.gz NVKPNUMEKOMYKR-HOTGVXAUSA-N 1 3 320.437 0.521 20 0 DCADHO C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1nccn1C ZINC001420140034 1001931097 /nfs/dbraw/zinc/93/10/97/1001931097.db2.gz OZDROJDSYCSGEZ-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1nccn1C ZINC001420140034 1001931102 /nfs/dbraw/zinc/93/11/02/1001931102.db2.gz OZDROJDSYCSGEZ-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]([NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001424728819 1001958151 /nfs/dbraw/zinc/95/81/51/1001958151.db2.gz NOTSVPKUIZXKKW-HSBZDZAISA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccsc1)N(C)C ZINC001420199759 1002027322 /nfs/dbraw/zinc/02/73/22/1002027322.db2.gz GAOGNUVGSPCCLS-KBPBESRZSA-N 1 3 313.467 0.901 20 0 DCADHO CCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001424811535 1002051127 /nfs/dbraw/zinc/05/11/27/1002051127.db2.gz VWCIQWLJPZKDSO-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001424830869 1002070618 /nfs/dbraw/zinc/07/06/18/1002070618.db2.gz RBVDANAQGFKHFM-OLZOCXBDSA-N 1 3 322.457 0.530 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001424872279 1002111857 /nfs/dbraw/zinc/11/18/57/1002111857.db2.gz ANQXEHBFMYVLPM-CHWSQXEVSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCCNC1=O ZINC001403589538 1002179120 /nfs/dbraw/zinc/17/91/20/1002179120.db2.gz OPJHIAGPRKRNSI-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1cnn(C)c1 ZINC001403589667 1002179515 /nfs/dbraw/zinc/17/95/15/1002179515.db2.gz PCPIOIXXZIHZPY-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001403597572 1002189540 /nfs/dbraw/zinc/18/95/40/1002189540.db2.gz MZNGENJTWMOHCB-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001403597572 1002189544 /nfs/dbraw/zinc/18/95/44/1002189544.db2.gz MZNGENJTWMOHCB-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCc1ccnn1C ZINC001403612566 1002208949 /nfs/dbraw/zinc/20/89/49/1002208949.db2.gz YJNGXAUEXJESAU-LBPRGKRZSA-N 1 3 304.398 0.365 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCc1cnn(C)c1 ZINC001424995101 1002227285 /nfs/dbraw/zinc/22/72/85/1002227285.db2.gz GZOPCOBFWRERPG-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCCN(C)C1=O ZINC001403636748 1002247727 /nfs/dbraw/zinc/24/77/27/1002247727.db2.gz WARSUFPOCGNVGM-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCCN(C)C1=O ZINC001403636748 1002247734 /nfs/dbraw/zinc/24/77/34/1002247734.db2.gz WARSUFPOCGNVGM-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001420341783 1002249971 /nfs/dbraw/zinc/24/99/71/1002249971.db2.gz VTTGZRSOVLMDST-NEPJUHHUSA-N 1 3 310.442 0.090 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncn1C ZINC001420378942 1002308012 /nfs/dbraw/zinc/30/80/12/1002308012.db2.gz ZXSVAXIDNDVQTP-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1cc(CN[C@H](CO)CNC(=O)CC[NH+](C)C)c(C)s1 ZINC001403709566 1002399169 /nfs/dbraw/zinc/39/91/69/1002399169.db2.gz ZGVVUMXNLNAIDY-AWEZNQCLSA-N 1 3 313.467 0.883 20 0 DCADHO COC[C@H](O)CN1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001425219609 1002451606 /nfs/dbraw/zinc/45/16/06/1002451606.db2.gz ITDAQRQEHOSGNV-CFVMTHIKSA-N 1 3 315.458 0.016 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001403747327 1002463460 /nfs/dbraw/zinc/46/34/60/1002463460.db2.gz OIRAYYVECFMGEL-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC001425254303 1002483085 /nfs/dbraw/zinc/48/30/85/1002483085.db2.gz LNLCAMRGRYECLM-GXTWGEPZSA-N 1 3 320.441 0.154 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001403804587 1002547590 /nfs/dbraw/zinc/54/75/90/1002547590.db2.gz HMOMSGVKKXKVCD-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001403804587 1002547594 /nfs/dbraw/zinc/54/75/94/1002547594.db2.gz HMOMSGVKKXKVCD-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001425380432 1002622380 /nfs/dbraw/zinc/62/23/80/1002622380.db2.gz OFNKMWCPWALRAJ-PHZGNYQRSA-N 1 3 319.453 0.519 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001425380432 1002622388 /nfs/dbraw/zinc/62/23/88/1002622388.db2.gz OFNKMWCPWALRAJ-PHZGNYQRSA-N 1 3 319.453 0.519 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CCn1cncn1 ZINC001403850063 1002627576 /nfs/dbraw/zinc/62/75/76/1002627576.db2.gz MFVBLZOYOGPFMA-HNNXBMFYSA-N 1 3 322.457 0.589 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CCn1cncn1 ZINC001403850063 1002627581 /nfs/dbraw/zinc/62/75/81/1002627581.db2.gz MFVBLZOYOGPFMA-HNNXBMFYSA-N 1 3 322.457 0.589 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001471792925 1016654167 /nfs/dbraw/zinc/65/41/67/1016654167.db2.gz ZOGFBNJGYDKDAM-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO COC[C@H](O)C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001425433713 1002672185 /nfs/dbraw/zinc/67/21/85/1002672185.db2.gz RWNPLXSAIBBGKY-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001425433713 1002672190 /nfs/dbraw/zinc/67/21/90/1002672190.db2.gz RWNPLXSAIBBGKY-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001420712836 1002836590 /nfs/dbraw/zinc/83/65/90/1002836590.db2.gz BODZOPUOUIRQAY-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001420712836 1002836608 /nfs/dbraw/zinc/83/66/08/1002836608.db2.gz BODZOPUOUIRQAY-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001420739450 1002899879 /nfs/dbraw/zinc/89/98/79/1002899879.db2.gz GCLNLEHICICCIM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001420739450 1002899891 /nfs/dbraw/zinc/89/98/91/1002899891.db2.gz GCLNLEHICICCIM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001425683314 1002957186 /nfs/dbraw/zinc/95/71/86/1002957186.db2.gz QTILBFWYMRVKPK-AWEZNQCLSA-N 1 3 322.453 0.664 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN([C@H]3CCCNC3=O)C2)CC1 ZINC001404078494 1002979826 /nfs/dbraw/zinc/97/98/26/1002979826.db2.gz YEPBXHAFJTWXRW-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)CCC[NH+](C)C ZINC001405856707 1003146112 /nfs/dbraw/zinc/14/61/12/1003146112.db2.gz CKBPIRMXEHNKKY-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CCC1CCCC1 ZINC001425845194 1003173888 /nfs/dbraw/zinc/17/38/88/1003173888.db2.gz VCVSGFKVOBAVCF-CQSZACIVSA-N 1 3 308.426 0.908 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@H]1C ZINC001425899633 1003237005 /nfs/dbraw/zinc/23/70/05/1003237005.db2.gz QKKLMZZAAXHFNT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@H]1C ZINC001425899633 1003237014 /nfs/dbraw/zinc/23/70/14/1003237014.db2.gz QKKLMZZAAXHFNT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@H](NCC(=O)N2CCC2)C(C)(C)C1 ZINC001425960782 1003286884 /nfs/dbraw/zinc/28/68/84/1003286884.db2.gz IEMQYGILEXSXAL-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C[C@@H]1C ZINC001421097581 1003315297 /nfs/dbraw/zinc/31/52/97/1003315297.db2.gz BVJMHTSXPABNBK-UONOGXRCSA-N 1 3 322.457 0.624 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001421168637 1003399364 /nfs/dbraw/zinc/39/93/64/1003399364.db2.gz ITFOKKJDGZTENK-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1ncsc1CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293081 1003575347 /nfs/dbraw/zinc/57/53/47/1003575347.db2.gz YTZXTWJADWFAAR-LBPRGKRZSA-N 1 3 324.450 0.114 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001406360793 1003638533 /nfs/dbraw/zinc/63/85/33/1003638533.db2.gz RICHTEDIFSRYFG-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CC)CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001426337124 1003719561 /nfs/dbraw/zinc/71/95/61/1003719561.db2.gz NDPDYOXVMKYYBR-SHARSMKWSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001426337124 1003719568 /nfs/dbraw/zinc/71/95/68/1003719568.db2.gz NDPDYOXVMKYYBR-SHARSMKWSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)CN2CCOCC2)o1 ZINC001406554399 1003835283 /nfs/dbraw/zinc/83/52/83/1003835283.db2.gz BXMQZQDVKSLPGO-OLZOCXBDSA-N 1 3 324.425 0.546 20 0 DCADHO C[C@H](C[N@H+](C)CCc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001406599785 1003907518 /nfs/dbraw/zinc/90/75/18/1003907518.db2.gz GBZGLSULCMBQKB-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](C[N@@H+](C)CCc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001406599785 1003907527 /nfs/dbraw/zinc/90/75/27/1003907527.db2.gz GBZGLSULCMBQKB-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)N(C)C(=O)CC[NH+](C)C)N(C)C ZINC001426730661 1003992421 /nfs/dbraw/zinc/99/24/21/1003992421.db2.gz DAADSZIXEICMOB-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001406695483 1004010541 /nfs/dbraw/zinc/01/05/41/1004010541.db2.gz GBZNEKSCTRTVKQ-SWLSCSKDSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001406695483 1004010549 /nfs/dbraw/zinc/01/05/49/1004010549.db2.gz GBZNEKSCTRTVKQ-SWLSCSKDSA-N 1 3 322.457 0.283 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001426812688 1004054894 /nfs/dbraw/zinc/05/48/94/1004054894.db2.gz IFRIYGUVKMPJET-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406794316 1004102515 /nfs/dbraw/zinc/10/25/15/1004102515.db2.gz YRIDMGYBUXRQTC-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406794316 1004102517 /nfs/dbraw/zinc/10/25/17/1004102517.db2.gz YRIDMGYBUXRQTC-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001427036607 1004176361 /nfs/dbraw/zinc/17/63/61/1004176361.db2.gz DNQWKBWZUARAPP-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001429058213 1004357528 /nfs/dbraw/zinc/35/75/28/1004357528.db2.gz QEKMFVSEAZBXQH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429058213 1004357536 /nfs/dbraw/zinc/35/75/36/1004357536.db2.gz QEKMFVSEAZBXQH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001407213084 1004474559 /nfs/dbraw/zinc/47/45/59/1004474559.db2.gz KIBILLQCZJPDTR-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001429493180 1004630137 /nfs/dbraw/zinc/63/01/37/1004630137.db2.gz COTPKMKWAIHTHV-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCn2cncn2)CCC1)N(C)C ZINC001407802946 1004871363 /nfs/dbraw/zinc/87/13/63/1004871363.db2.gz RWUANOIINMHQGL-CQSZACIVSA-N 1 3 322.457 0.493 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001407863429 1004907622 /nfs/dbraw/zinc/90/76/22/1004907622.db2.gz GMWDJMTUJKXWIX-DZGCQCFKSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@@H](F)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001408146354 1005075683 /nfs/dbraw/zinc/07/56/83/1005075683.db2.gz PINAYTUAKCITDL-ZIAGYGMSSA-N 1 3 315.433 0.772 20 0 DCADHO CO[C@@H](C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001408147698 1005075978 /nfs/dbraw/zinc/07/59/78/1005075978.db2.gz VQXCOAYMECDZSQ-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCN2C)nn1 ZINC001408176433 1005091957 /nfs/dbraw/zinc/09/19/57/1005091957.db2.gz RTXUUWOMDJNORH-JSGCOSHPSA-N 1 3 321.425 0.564 20 0 DCADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NCc1cnns1 ZINC001408215107 1005110127 /nfs/dbraw/zinc/11/01/27/1005110127.db2.gz FVPDDBQOWFHSAA-NSHDSACASA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001408465359 1005212119 /nfs/dbraw/zinc/21/21/19/1005212119.db2.gz NTBHOJIKQQGORX-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001408465359 1005212123 /nfs/dbraw/zinc/21/21/23/1005212123.db2.gz NTBHOJIKQQGORX-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)CC[NH+](C)C ZINC001414153815 1005242432 /nfs/dbraw/zinc/24/24/32/1005242432.db2.gz FXVDYYWWHGPJKM-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CN(C)C2CCC2)C1)[NH+](C)C ZINC001416009696 1005648387 /nfs/dbraw/zinc/64/83/87/1005648387.db2.gz CWKBZRNTYSZZDF-MRXNPFEDSA-N 1 3 324.469 0.384 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001417263426 1005812818 /nfs/dbraw/zinc/81/28/18/1005812818.db2.gz YXQQMHWNQSSGHM-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417263426 1005812819 /nfs/dbraw/zinc/81/28/19/1005812819.db2.gz YXQQMHWNQSSGHM-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001417766958 1005886445 /nfs/dbraw/zinc/88/64/45/1005886445.db2.gz AGXFDLONIYQBSO-YIYPIFLZSA-N 1 3 312.458 0.192 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001417770321 1005887388 /nfs/dbraw/zinc/88/73/88/1005887388.db2.gz SIYPQFVVDYJNEM-OAGGEKHMSA-N 1 3 319.453 0.709 20 0 DCADHO CCn1cc(CCN2CC[C@@H](NC(=O)CC[N@H+](C)CC)C2)cn1 ZINC001417943270 1005936415 /nfs/dbraw/zinc/93/64/15/1005936415.db2.gz BUAJHOGYHODPJZ-MRXNPFEDSA-N 1 3 321.469 0.978 20 0 DCADHO CCn1cc(CCN2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)cn1 ZINC001417943270 1005936417 /nfs/dbraw/zinc/93/64/17/1005936417.db2.gz BUAJHOGYHODPJZ-MRXNPFEDSA-N 1 3 321.469 0.978 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C2CC2)CCC1 ZINC001417983722 1005947597 /nfs/dbraw/zinc/94/75/97/1005947597.db2.gz HZTWRLAYZFGXTI-ZIAGYGMSSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2cnn(C)c2)C2CC2)CCC1 ZINC001417992765 1005949897 /nfs/dbraw/zinc/94/98/97/1005949897.db2.gz ZZCXXCIRACPZEB-HNNXBMFYSA-N 1 3 319.453 0.889 20 0 DCADHO CNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001438780577 1006115444 /nfs/dbraw/zinc/11/54/44/1006115444.db2.gz YOIDMLVDSLZTFC-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001418163343 1006119550 /nfs/dbraw/zinc/11/95/50/1006119550.db2.gz OSEFXWJEIPPTFP-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001418182433 1006137719 /nfs/dbraw/zinc/13/77/19/1006137719.db2.gz UCTOZBRXANOXMO-OSBBLCOHSA-N 1 3 321.465 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001418182433 1006137726 /nfs/dbraw/zinc/13/77/26/1006137726.db2.gz UCTOZBRXANOXMO-OSBBLCOHSA-N 1 3 321.465 0.801 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418230005 1006211133 /nfs/dbraw/zinc/21/11/33/1006211133.db2.gz XJWJNZDGMSTLJV-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418230005 1006211141 /nfs/dbraw/zinc/21/11/41/1006211141.db2.gz XJWJNZDGMSTLJV-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC1CCCC1 ZINC001418265701 1006273659 /nfs/dbraw/zinc/27/36/59/1006273659.db2.gz HYOAAGHWEBNDMN-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001418274092 1006285789 /nfs/dbraw/zinc/28/57/89/1006285789.db2.gz HGNOWOUVPCRJCX-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001418310128 1006348841 /nfs/dbraw/zinc/34/88/41/1006348841.db2.gz BMFBDOYKBIXMRG-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CCn1cc(Cl)cn1 ZINC001418312729 1006353186 /nfs/dbraw/zinc/35/31/86/1006353186.db2.gz JTCMTBVZULLIIE-GFCCVEGCSA-N 1 3 315.849 0.971 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCc2cncc(F)c2)CC1 ZINC001439009723 1006353998 /nfs/dbraw/zinc/35/39/98/1006353998.db2.gz BUUMGVXEGOKSAD-CQSZACIVSA-N 1 3 324.400 0.129 20 0 DCADHO C[NH+]1CCC(CC(=O)NC[C@H](O)CNCc2ccccn2)CC1 ZINC001439028924 1006383223 /nfs/dbraw/zinc/38/32/23/1006383223.db2.gz CXVZACIPZRZNJL-MRXNPFEDSA-N 1 3 320.437 0.380 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)C1CCC1 ZINC001436956407 1006482164 /nfs/dbraw/zinc/48/21/64/1006482164.db2.gz VCQNFUYGQYNSCT-OKILXGFUSA-N 1 3 305.426 0.604 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN[C@H]2CCN(C)C2=O)CC1 ZINC001439164023 1006533796 /nfs/dbraw/zinc/53/37/96/1006533796.db2.gz OFHZJFFWVPCNMS-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437024780 1006533961 /nfs/dbraw/zinc/53/39/61/1006533961.db2.gz XVOPERMUPLYTEB-CYBMUJFWSA-N 1 3 321.425 0.305 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001439169430 1006539931 /nfs/dbraw/zinc/53/99/31/1006539931.db2.gz XXHKDJXAYMNGBR-ZIAGYGMSSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)N(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001452131887 1006623723 /nfs/dbraw/zinc/62/37/23/1006623723.db2.gz GIKUZWQPWUSZST-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C1(C(=O)N(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001452131887 1006623730 /nfs/dbraw/zinc/62/37/30/1006623730.db2.gz GIKUZWQPWUSZST-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439284300 1006656811 /nfs/dbraw/zinc/65/68/11/1006656811.db2.gz ZUQQRPFXYKCVMT-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439284300 1006656818 /nfs/dbraw/zinc/65/68/18/1006656818.db2.gz ZUQQRPFXYKCVMT-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439412165 1006835120 /nfs/dbraw/zinc/83/51/20/1006835120.db2.gz UODOSCSOUHIVRM-ZFWWWQNUSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439412165 1006835129 /nfs/dbraw/zinc/83/51/29/1006835129.db2.gz UODOSCSOUHIVRM-ZFWWWQNUSA-N 1 3 307.442 0.351 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001437324955 1006840937 /nfs/dbraw/zinc/84/09/37/1006840937.db2.gz KOUIYQYQHJVEIA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001437335328 1006854854 /nfs/dbraw/zinc/85/48/54/1006854854.db2.gz XSQOEYWOBFAKSI-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001439482093 1006911848 /nfs/dbraw/zinc/91/18/48/1006911848.db2.gz DGTUPZHZQHTJDK-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439482093 1006911862 /nfs/dbraw/zinc/91/18/62/1006911862.db2.gz DGTUPZHZQHTJDK-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cncn1C)C1CC1)N(C)C ZINC001439481498 1006912298 /nfs/dbraw/zinc/91/22/98/1006912298.db2.gz BFQRKHLMBWRITI-LSDHHAIUSA-N 1 3 307.442 0.745 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1(N[C@@H]2CCCN(C)C2=O)CC1 ZINC001439662202 1007121780 /nfs/dbraw/zinc/12/17/80/1007121780.db2.gz JUPXWRXBYSNVQN-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1(N[C@@H]2CCCN(C)C2=O)CC1 ZINC001439662202 1007121787 /nfs/dbraw/zinc/12/17/87/1007121787.db2.gz JUPXWRXBYSNVQN-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001439783097 1007193180 /nfs/dbraw/zinc/19/31/80/1007193180.db2.gz PFPCZLUKXPFMMO-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C ZINC001439788280 1007200414 /nfs/dbraw/zinc/20/04/14/1007200414.db2.gz IMAVUWQXXNKEGM-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001439907792 1007294774 /nfs/dbraw/zinc/29/47/74/1007294774.db2.gz HGLQGEMEAHVSLV-KRWDZBQOSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(N)=O ZINC001437840552 1007453221 /nfs/dbraw/zinc/45/32/21/1007453221.db2.gz FUNQUCULVKYTPU-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001453416550 1007462531 /nfs/dbraw/zinc/46/25/31/1007462531.db2.gz DKZMFYNXTNLLDI-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001453416550 1007462536 /nfs/dbraw/zinc/46/25/36/1007462536.db2.gz DKZMFYNXTNLLDI-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001440112627 1007497666 /nfs/dbraw/zinc/49/76/66/1007497666.db2.gz POVJAMJYAXIXMT-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001440121628 1007501332 /nfs/dbraw/zinc/50/13/32/1007501332.db2.gz MQZWVJZONPFSCE-QWHCGFSZSA-N 1 3 312.458 0.276 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001437944822 1007519822 /nfs/dbraw/zinc/51/98/22/1007519822.db2.gz OBSGKDCFRUEBSB-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001437944822 1007519833 /nfs/dbraw/zinc/51/98/33/1007519833.db2.gz OBSGKDCFRUEBSB-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1cc(CN2CC[C@@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001437945705 1007522129 /nfs/dbraw/zinc/52/21/29/1007522129.db2.gz JIZAPRATNUCZHO-ZBFHGGJFSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CN2CC[C@@H](CCNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001437945705 1007522139 /nfs/dbraw/zinc/52/21/39/1007522139.db2.gz JIZAPRATNUCZHO-ZBFHGGJFSA-N 1 3 319.453 0.700 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001440289236 1007644652 /nfs/dbraw/zinc/64/46/52/1007644652.db2.gz JNILEHMIUPZAGQ-KFWWJZLASA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001440401049 1007729270 /nfs/dbraw/zinc/72/92/70/1007729270.db2.gz METWUUJXCCFMJP-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC1 ZINC001440471617 1007803199 /nfs/dbraw/zinc/80/31/99/1007803199.db2.gz IKBQTCXVHDVTIW-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCC(N)=O ZINC001438336280 1007833567 /nfs/dbraw/zinc/83/35/67/1007833567.db2.gz MANQITQNCKQROL-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)NC1CC1 ZINC001438367911 1007864427 /nfs/dbraw/zinc/86/44/27/1007864427.db2.gz AFWFLDDMEQZBEL-OLZOCXBDSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1)C(N)=O ZINC001438594174 1008020032 /nfs/dbraw/zinc/02/00/32/1008020032.db2.gz FZTWBDPGOQSJGF-LBPRGKRZSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001440879227 1008082719 /nfs/dbraw/zinc/08/27/19/1008082719.db2.gz BKOCPLHPIBNIPA-STQMWFEESA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001440879224 1008082976 /nfs/dbraw/zinc/08/29/76/1008082976.db2.gz BKOCPLHPIBNIPA-QWHCGFSZSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001441001938 1008169302 /nfs/dbraw/zinc/16/93/02/1008169302.db2.gz YCNDLJSYDAHMQC-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441296121 1008311089 /nfs/dbraw/zinc/31/10/89/1008311089.db2.gz JGOSSKWNIVYTTP-KBPBESRZSA-N 1 3 322.453 0.126 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001441434692 1008354469 /nfs/dbraw/zinc/35/44/69/1008354469.db2.gz BKIUCJVGYFIORD-RBSFLKMASA-N 1 3 322.453 0.376 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001441522872 1008389189 /nfs/dbraw/zinc/38/91/89/1008389189.db2.gz SPQUNUUDQLYNSL-HZSPNIEDSA-N 1 3 320.441 0.344 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1n[nH]c(C)n1 ZINC001421405763 1008533741 /nfs/dbraw/zinc/53/37/41/1008533741.db2.gz QCZLOAQSELXOLF-MELADBBJSA-N 1 3 322.457 0.828 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1n[nH]c(C)n1 ZINC001421405763 1008533755 /nfs/dbraw/zinc/53/37/55/1008533755.db2.gz QCZLOAQSELXOLF-MELADBBJSA-N 1 3 322.457 0.828 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001441892340 1008627920 /nfs/dbraw/zinc/62/79/20/1008627920.db2.gz LBJVPUJPNYAQKJ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001453726673 1008687445 /nfs/dbraw/zinc/68/74/45/1008687445.db2.gz JCXZRFRCAOLIBJ-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001453726673 1008687454 /nfs/dbraw/zinc/68/74/54/1008687454.db2.gz JCXZRFRCAOLIBJ-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2nnc(C)[nH]2)C1 ZINC001421533411 1008695376 /nfs/dbraw/zinc/69/53/76/1008695376.db2.gz ZOPRERMXXUXBCF-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2nnc(C)[nH]2)C1 ZINC001421533411 1008695382 /nfs/dbraw/zinc/69/53/82/1008695382.db2.gz ZOPRERMXXUXBCF-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001421536067 1008697790 /nfs/dbraw/zinc/69/77/90/1008697790.db2.gz CJTWFSIPJWTJRE-OLZOCXBDSA-N 1 3 321.425 0.163 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001421536083 1008698891 /nfs/dbraw/zinc/69/88/91/1008698891.db2.gz CJTWFSIPJWTJRE-STQMWFEESA-N 1 3 321.425 0.163 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001421544062 1008707952 /nfs/dbraw/zinc/70/79/52/1008707952.db2.gz RFPDQUUUMUOSSB-QWHCGFSZSA-N 1 3 321.425 0.115 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001442007785 1008794569 /nfs/dbraw/zinc/79/45/69/1008794569.db2.gz JZGINHPXHMAZDR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001442007785 1008794578 /nfs/dbraw/zinc/79/45/78/1008794578.db2.gz JZGINHPXHMAZDR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001421667043 1008895533 /nfs/dbraw/zinc/89/55/33/1008895533.db2.gz PDQDBGFCPDQHFX-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001454182934 1008981534 /nfs/dbraw/zinc/98/15/34/1008981534.db2.gz YWYVNNNMRHKMPP-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001454182934 1008981551 /nfs/dbraw/zinc/98/15/51/1008981551.db2.gz YWYVNNNMRHKMPP-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001442126760 1008995227 /nfs/dbraw/zinc/99/52/27/1008995227.db2.gz BJJLNVCMHCBWCC-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001442144519 1009015597 /nfs/dbraw/zinc/01/55/97/1009015597.db2.gz DCVMQKZJXJVXKX-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001442144519 1009015612 /nfs/dbraw/zinc/01/56/12/1009015612.db2.gz DCVMQKZJXJVXKX-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001454337087 1009083513 /nfs/dbraw/zinc/08/35/13/1009083513.db2.gz WCEOEAOUKCCLOT-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001454337087 1009083530 /nfs/dbraw/zinc/08/35/30/1009083530.db2.gz WCEOEAOUKCCLOT-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1nnsc1CNC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001442252621 1009136067 /nfs/dbraw/zinc/13/60/67/1009136067.db2.gz MNCIIWCIDURQFQ-UHFFFAOYSA-N 1 3 311.455 0.877 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001421893999 1009222145 /nfs/dbraw/zinc/22/21/45/1009222145.db2.gz HPUWABCEMWOGGK-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001421893999 1009222159 /nfs/dbraw/zinc/22/21/59/1009222159.db2.gz HPUWABCEMWOGGK-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001421966047 1009329742 /nfs/dbraw/zinc/32/97/42/1009329742.db2.gz YPBNVCHGXFLYQA-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001433985415 1009429879 /nfs/dbraw/zinc/42/98/79/1009429879.db2.gz JPKNZOKWYVEREO-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001422111833 1009502758 /nfs/dbraw/zinc/50/27/58/1009502758.db2.gz YTYJTMCATILQGE-GFCCVEGCSA-N 1 3 300.447 0.180 20 0 DCADHO C[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001443350223 1010360338 /nfs/dbraw/zinc/36/03/38/1010360338.db2.gz RAXXEABLIFZJPB-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001443350223 1010360346 /nfs/dbraw/zinc/36/03/46/1010360346.db2.gz RAXXEABLIFZJPB-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422591574 1010367044 /nfs/dbraw/zinc/36/70/44/1010367044.db2.gz SESOJZXDSLXQDV-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001422647318 1010451202 /nfs/dbraw/zinc/45/12/02/1010451202.db2.gz ULPRLOSHTJCXHN-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001422647318 1010451205 /nfs/dbraw/zinc/45/12/05/1010451205.db2.gz ULPRLOSHTJCXHN-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001422720699 1010523205 /nfs/dbraw/zinc/52/32/05/1010523205.db2.gz SUHKSQMJVWGSEM-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001422720699 1010523209 /nfs/dbraw/zinc/52/32/09/1010523209.db2.gz SUHKSQMJVWGSEM-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NCc1ccccn1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001422854337 1010675728 /nfs/dbraw/zinc/67/57/28/1010675728.db2.gz KZAMKOFSUGUIAT-HOCLYGCPSA-N 1 3 320.437 0.739 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001422862520 1010683358 /nfs/dbraw/zinc/68/33/58/1010683358.db2.gz NYPFTIMDPDTKFA-PHZGNYQRSA-N 1 3 319.453 0.517 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001422862520 1010683363 /nfs/dbraw/zinc/68/33/63/1010683363.db2.gz NYPFTIMDPDTKFA-PHZGNYQRSA-N 1 3 319.453 0.517 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)CC(=O)NC)CC2)CC[N@@H+]1C ZINC001422923796 1010742838 /nfs/dbraw/zinc/74/28/38/1010742838.db2.gz OEGBAAWZSMQHNL-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)CC(=O)NC)CC2)CC[N@H+]1C ZINC001422923796 1010742851 /nfs/dbraw/zinc/74/28/51/1010742851.db2.gz OEGBAAWZSMQHNL-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001422927671 1010746720 /nfs/dbraw/zinc/74/67/20/1010746720.db2.gz PQPFNQYJKFZJLF-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001422988896 1010791045 /nfs/dbraw/zinc/79/10/45/1010791045.db2.gz GHCBXNPEOSVGBU-TZMCWYRMSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001444028124 1010810548 /nfs/dbraw/zinc/81/05/48/1010810548.db2.gz FYQHJOQLURQCOF-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001444028124 1010810554 /nfs/dbraw/zinc/81/05/54/1010810554.db2.gz FYQHJOQLURQCOF-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(CC)CC ZINC001444032668 1010811512 /nfs/dbraw/zinc/81/15/12/1010811512.db2.gz GPLCXWOZGWWZLP-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(CC)CC ZINC001444032668 1010811522 /nfs/dbraw/zinc/81/15/22/1010811522.db2.gz GPLCXWOZGWWZLP-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001423145304 1010922155 /nfs/dbraw/zinc/92/21/55/1010922155.db2.gz GWHDLQHJSASHJG-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001423145304 1010922160 /nfs/dbraw/zinc/92/21/60/1010922160.db2.gz GWHDLQHJSASHJG-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccn(C)n1 ZINC001444328598 1010966411 /nfs/dbraw/zinc/96/64/11/1010966411.db2.gz OITBIOIANBIUNE-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001423214988 1010985581 /nfs/dbraw/zinc/98/55/81/1010985581.db2.gz HAKLOSMQKVCKQP-KGLIPLIRSA-N 1 3 315.458 0.353 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001423254791 1011020337 /nfs/dbraw/zinc/02/03/37/1011020337.db2.gz YNJYRMAGKGCXGT-ZDUSSCGKSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001423356802 1011100018 /nfs/dbraw/zinc/10/00/18/1011100018.db2.gz VNGHIIPZXGJDLI-CPUCHLNUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444667224 1011122800 /nfs/dbraw/zinc/12/28/00/1011122800.db2.gz DSWGSCQWVPQQGU-IHRRRGAJSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001444667224 1011122806 /nfs/dbraw/zinc/12/28/06/1011122806.db2.gz DSWGSCQWVPQQGU-IHRRRGAJSA-N 1 3 312.458 0.241 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC ZINC001423448420 1011156214 /nfs/dbraw/zinc/15/62/14/1011156214.db2.gz CIUFOHRAOZIYDU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC ZINC001423448420 1011156217 /nfs/dbraw/zinc/15/62/17/1011156217.db2.gz CIUFOHRAOZIYDU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1)N(C)C ZINC001423480675 1011178799 /nfs/dbraw/zinc/17/87/99/1011178799.db2.gz OCRLTSAJOMWLOD-HOTGVXAUSA-N 1 3 307.438 0.936 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cncc(C)c1)N(C)C ZINC001423483525 1011180255 /nfs/dbraw/zinc/18/02/55/1011180255.db2.gz VXQXGDNASSRSBF-CVEARBPZSA-N 1 3 322.453 0.639 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423487733 1011182685 /nfs/dbraw/zinc/18/26/85/1011182685.db2.gz URZYBDWBGVVCKI-LSDHHAIUSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423487733 1011182690 /nfs/dbraw/zinc/18/26/90/1011182690.db2.gz URZYBDWBGVVCKI-LSDHHAIUSA-N 1 3 320.437 0.251 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](NCC(N)=O)C(C)C)C1 ZINC001444889274 1011198017 /nfs/dbraw/zinc/19/80/17/1011198017.db2.gz IAZQLDHJYMEAAP-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](NCC(N)=O)C(C)C)C1 ZINC001444889274 1011198020 /nfs/dbraw/zinc/19/80/20/1011198020.db2.gz IAZQLDHJYMEAAP-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001423546443 1011238942 /nfs/dbraw/zinc/23/89/42/1011238942.db2.gz VBRDOHXKUZDTOQ-GXTWGEPZSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001423546443 1011238953 /nfs/dbraw/zinc/23/89/53/1011238953.db2.gz VBRDOHXKUZDTOQ-GXTWGEPZSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1)C(N)=O ZINC001423547735 1011242926 /nfs/dbraw/zinc/24/29/26/1011242926.db2.gz ZHGFKIGCFDIQCZ-GXTWGEPZSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001533740960 1011489624 /nfs/dbraw/zinc/48/96/24/1011489624.db2.gz AVVWXARRANXTQM-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001533902186 1011511405 /nfs/dbraw/zinc/51/14/05/1011511405.db2.gz FXPVOROBJASTOV-GFCCVEGCSA-N 1 3 300.447 0.289 20 0 DCADHO CC[C@H](C(=O)N(CC)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001431663209 1011518613 /nfs/dbraw/zinc/51/86/13/1011518613.db2.gz HQKQZWCCMWBCBU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2CNC(=O)CC[NH+](C)C)CCC1 ZINC001457205129 1011611576 /nfs/dbraw/zinc/61/15/76/1011611576.db2.gz NAUIJUKATZJPNG-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001423957002 1011773411 /nfs/dbraw/zinc/77/34/11/1011773411.db2.gz PAMZBOOWRCLCAQ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C[C@H](C)N1 ZINC001553355643 1011913673 /nfs/dbraw/zinc/91/36/73/1011913673.db2.gz AIMRJQYYRYXIIR-PHIMTYICSA-N 1 3 309.439 0.375 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)[C@@H]1CCCN1C ZINC001432111679 1011984380 /nfs/dbraw/zinc/98/43/80/1011984380.db2.gz SYPVHKHVJXFCKF-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@H]([NH3+])C2(CCC2)C1 ZINC001553452993 1011991447 /nfs/dbraw/zinc/99/14/47/1011991447.db2.gz WMNQXRGNWIDXOL-KBPBESRZSA-N 1 3 310.442 0.620 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001445611261 1011999150 /nfs/dbraw/zinc/99/91/50/1011999150.db2.gz NSRHDMKMUXZBFI-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CN1CCN(CCNC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1(C)C ZINC001553475143 1012011906 /nfs/dbraw/zinc/01/19/06/1012011906.db2.gz ASIQYOMROXPMTE-KRWDZBQOSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@]1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCC[NH2+]C1 ZINC001553498196 1012033947 /nfs/dbraw/zinc/03/39/47/1012033947.db2.gz RUQTWMMWCWQSEY-INMHGKMJSA-N 1 3 324.469 0.617 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CNCCO3)C[C@@H]2C1 ZINC001553508676 1012050315 /nfs/dbraw/zinc/05/03/15/1012050315.db2.gz YTMVLRHCKJYFLY-BARDWOONSA-N 1 3 310.442 0.347 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001553511514 1012056881 /nfs/dbraw/zinc/05/68/81/1012056881.db2.gz UDXNGQHBFRDKCN-LXZKKBNFSA-N 1 3 322.453 0.681 20 0 DCADHO C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC[NH2+]CC1 ZINC001553517257 1012064327 /nfs/dbraw/zinc/06/43/27/1012064327.db2.gz JUJPPHXTRMZQSD-CWRNSKLLSA-N 1 3 324.469 0.615 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H]1CCN(C)C1=O ZINC001424141133 1012075862 /nfs/dbraw/zinc/07/58/62/1012075862.db2.gz WQDDLPONVOYFTF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H]1CCN(C)C1=O ZINC001424141133 1012075872 /nfs/dbraw/zinc/07/58/72/1012075872.db2.gz WQDDLPONVOYFTF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC1(C)C[NH2+][C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553553948 1012099785 /nfs/dbraw/zinc/09/97/85/1012099785.db2.gz RGLRITLGEGEQEZ-ZNMIVQPWSA-N 1 3 324.469 0.615 20 0 DCADHO CC[C@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1)OC ZINC001424227844 1012197940 /nfs/dbraw/zinc/19/79/40/1012197940.db2.gz JJLBVCDPFBATON-ZIAGYGMSSA-N 1 3 310.398 0.194 20 0 DCADHO C[NH+](C)CCC(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC001432315836 1012308660 /nfs/dbraw/zinc/30/86/60/1012308660.db2.gz IQEFXSLPZIQZSG-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)(C(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1)N1CCCC1 ZINC001445962786 1012465309 /nfs/dbraw/zinc/46/53/09/1012465309.db2.gz UNMWJFDDACRAAH-KBPBESRZSA-N 1 3 322.453 0.234 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001424475008 1012548300 /nfs/dbraw/zinc/54/83/00/1012548300.db2.gz FZMYGCZJMQLUSC-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@@]1(C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)CCCCN1 ZINC001548576624 1012562549 /nfs/dbraw/zinc/56/25/49/1012562549.db2.gz ULTIAZPZEICYCV-MRXNPFEDSA-N 1 3 311.426 0.125 20 0 DCADHO CC1([NH2+]CCn2cccn2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001424496058 1012581522 /nfs/dbraw/zinc/58/15/22/1012581522.db2.gz VIZFSPIKTIMXIA-UHFFFAOYSA-N 1 3 316.409 0.820 20 0 DCADHO CN1CCNC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001548549730 1012699088 /nfs/dbraw/zinc/69/90/88/1012699088.db2.gz KVUQBGGAERCDPP-QGZVFWFLSA-N 1 3 316.449 0.802 20 0 DCADHO CN1CCNC[C@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001548561674 1012718233 /nfs/dbraw/zinc/71/82/33/1012718233.db2.gz RRHTYDPSBPCSMJ-NSHDSACASA-N 1 3 309.439 0.452 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001459452909 1012736688 /nfs/dbraw/zinc/73/66/88/1012736688.db2.gz QRKRTZWPTGWBMY-INIZCTEOSA-N 1 3 321.425 0.401 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548586795 1012766208 /nfs/dbraw/zinc/76/62/08/1012766208.db2.gz VRYJFRKIFHVGLL-UHFFFAOYSA-N 1 3 321.446 0.988 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001446484017 1012814871 /nfs/dbraw/zinc/81/48/71/1012814871.db2.gz XYUXHOCFWFRHKC-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001446484017 1012814886 /nfs/dbraw/zinc/81/48/86/1012814886.db2.gz XYUXHOCFWFRHKC-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+](C)CCC(=O)N1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001446481793 1012817571 /nfs/dbraw/zinc/81/75/71/1012817571.db2.gz QGDAQLVXROBGGI-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1nc[nH]c1C ZINC001432832208 1012944584 /nfs/dbraw/zinc/94/45/84/1012944584.db2.gz BCBAXTUFXDTITE-LBPRGKRZSA-N 1 3 309.414 0.223 20 0 DCADHO CCCC[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001506539358 1017348998 /nfs/dbraw/zinc/34/89/98/1017348998.db2.gz SSUILPOGRQAOAG-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)OCCN1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506663540 1017446660 /nfs/dbraw/zinc/44/66/60/1017446660.db2.gz ICJRCOSUQUGESF-AWEZNQCLSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cncn3C)C2)CCC1 ZINC001479301040 1017486670 /nfs/dbraw/zinc/48/66/70/1017486670.db2.gz URCXTRACTOFQHY-OKILXGFUSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC001506860135 1017621033 /nfs/dbraw/zinc/62/10/33/1017621033.db2.gz VLXHXXKEAGXEKR-MGPQQGTHSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C1 ZINC001506860135 1017621035 /nfs/dbraw/zinc/62/10/35/1017621035.db2.gz VLXHXXKEAGXEKR-MGPQQGTHSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)[C@@H]2CCCN(C)C2=O)C1 ZINC001479796505 1017777649 /nfs/dbraw/zinc/77/76/49/1017777649.db2.gz IJIYCHVDGAFGPJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@@H]2CCCN(C)C2=O)C1 ZINC001479796505 1017777655 /nfs/dbraw/zinc/77/76/55/1017777655.db2.gz IJIYCHVDGAFGPJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+]1CCC(OCC(=O)NCC2CN(CCCF)C2)CC1 ZINC001494608727 1017851408 /nfs/dbraw/zinc/85/14/08/1017851408.db2.gz LJLFRYKILZTLJE-UHFFFAOYSA-N 1 3 301.406 0.505 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001479868675 1017915905 /nfs/dbraw/zinc/91/59/05/1017915905.db2.gz JUVKGENRJQHHKJ-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001479868675 1017915922 /nfs/dbraw/zinc/91/59/22/1017915922.db2.gz JUVKGENRJQHHKJ-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001497187572 1017953208 /nfs/dbraw/zinc/95/32/08/1017953208.db2.gz CZLGDWLBLKSETN-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001497394633 1018109248 /nfs/dbraw/zinc/10/92/48/1018109248.db2.gz PYTWZCRLCPMLHI-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001497394633 1018109251 /nfs/dbraw/zinc/10/92/51/1018109251.db2.gz PYTWZCRLCPMLHI-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC(=O)NC2CC2)C2CC2)CCC1 ZINC001480022875 1018133254 /nfs/dbraw/zinc/13/32/54/1018133254.db2.gz IWADQXAINQOIJF-AWEZNQCLSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001494905975 1018142483 /nfs/dbraw/zinc/14/24/83/1018142483.db2.gz NSFWETMMDWDSFH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001494905975 1018142490 /nfs/dbraw/zinc/14/24/90/1018142490.db2.gz NSFWETMMDWDSFH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001480060962 1018173095 /nfs/dbraw/zinc/17/30/95/1018173095.db2.gz ZWRAIONTONQYLY-OCCSQVGLSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001480060962 1018173103 /nfs/dbraw/zinc/17/31/03/1018173103.db2.gz ZWRAIONTONQYLY-OCCSQVGLSA-N 1 3 320.441 0.439 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001494993903 1018219304 /nfs/dbraw/zinc/21/93/04/1018219304.db2.gz FNELNCCQVLGPED-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001480173785 1018281327 /nfs/dbraw/zinc/28/13/27/1018281327.db2.gz NAFINAXEWOIQPQ-XUXIUFHCSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)N2CCCC2)C1 ZINC001497674681 1018325794 /nfs/dbraw/zinc/32/57/94/1018325794.db2.gz LAEYGOIFWHABLU-XYBNCVKDSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)N2CCCC2)C1 ZINC001497674681 1018325807 /nfs/dbraw/zinc/32/58/07/1018325807.db2.gz LAEYGOIFWHABLU-XYBNCVKDSA-N 1 3 322.453 0.213 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)N[C@@H](C)CC)C1)N(C)C ZINC001480232653 1018343597 /nfs/dbraw/zinc/34/35/97/1018343597.db2.gz WPJWMYZRTFUQRS-IGQOVBAYSA-N 1 3 312.458 0.478 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001495392766 1018485665 /nfs/dbraw/zinc/48/56/65/1018485665.db2.gz HOTXMHINJFKIIL-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)CCC[NH+]1CCCCC1 ZINC001497985746 1018560222 /nfs/dbraw/zinc/56/02/22/1018560222.db2.gz IWYYULBKCOBULX-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCC(CC)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983309 1018560465 /nfs/dbraw/zinc/56/04/65/1018560465.db2.gz AQRNYUZNHLQQAD-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983309 1018560476 /nfs/dbraw/zinc/56/04/76/1018560476.db2.gz AQRNYUZNHLQQAD-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCCC1=O ZINC001497993959 1018569451 /nfs/dbraw/zinc/56/94/51/1018569451.db2.gz VCBBRFYVMSEMBO-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498043874 1018609441 /nfs/dbraw/zinc/60/94/41/1018609441.db2.gz OAYDBMPOXODUIY-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498043874 1018609448 /nfs/dbraw/zinc/60/94/48/1018609448.db2.gz OAYDBMPOXODUIY-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1)C(N)=O ZINC001480508433 1018615391 /nfs/dbraw/zinc/61/53/91/1018615391.db2.gz BPTJOPSXIVOVLR-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1)C(N)=O ZINC001480508433 1018615395 /nfs/dbraw/zinc/61/53/95/1018615395.db2.gz BPTJOPSXIVOVLR-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cnnn1C ZINC001495686012 1018650135 /nfs/dbraw/zinc/65/01/35/1018650135.db2.gz ZQNJYHLCJOFZND-LBPRGKRZSA-N 1 3 308.430 0.141 20 0 DCADHO CCCC[C@@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001480575252 1018674270 /nfs/dbraw/zinc/67/42/70/1018674270.db2.gz RFGVZUABYYWLEW-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001498327905 1018956151 /nfs/dbraw/zinc/95/61/51/1018956151.db2.gz SLUPKVKQSUDPDQ-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496063067 1019028391 /nfs/dbraw/zinc/02/83/91/1019028391.db2.gz YHNGATCPXBZGQM-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1ccnn1C)[NH+](C)C ZINC001496084558 1019051116 /nfs/dbraw/zinc/05/11/16/1019051116.db2.gz MPFYAWOZVXAEER-HIFRSBDPSA-N 1 3 309.458 0.943 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001493058654 1019052772 /nfs/dbraw/zinc/05/27/72/1019052772.db2.gz NVGCDLDCOFAQDO-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001493058654 1019052798 /nfs/dbraw/zinc/05/27/98/1019052798.db2.gz NVGCDLDCOFAQDO-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001496205990 1019162157 /nfs/dbraw/zinc/16/21/57/1019162157.db2.gz FMTGPOSVFJKXPA-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001496914775 1019757893 /nfs/dbraw/zinc/75/78/93/1019757893.db2.gz KPDWRMKXULHWJO-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)C1(N(C)C)CCC1 ZINC001496951095 1019813806 /nfs/dbraw/zinc/81/38/06/1019813806.db2.gz KSPWUTOAEKUFCN-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001494066788 1019960657 /nfs/dbraw/zinc/96/06/57/1019960657.db2.gz BGYHYRNSITWXMG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001494066788 1019960665 /nfs/dbraw/zinc/96/06/65/1019960665.db2.gz BGYHYRNSITWXMG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001494066789 1019960773 /nfs/dbraw/zinc/96/07/73/1019960773.db2.gz BGYHYRNSITWXMG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001494066789 1019960783 /nfs/dbraw/zinc/96/07/83/1019960783.db2.gz BGYHYRNSITWXMG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001494211130 1020077742 /nfs/dbraw/zinc/07/77/42/1020077742.db2.gz MNVAZYQWWPZYHU-ZDUSSCGKSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001494211130 1020077751 /nfs/dbraw/zinc/07/77/51/1020077751.db2.gz MNVAZYQWWPZYHU-ZDUSSCGKSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(CO)C1 ZINC000665763604 546397095 /nfs/dbraw/zinc/39/70/95/546397095.db2.gz GRDBNVKPZAWWRH-ZDUSSCGKSA-N 1 3 300.447 0.282 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(CO)C1 ZINC000665763604 546397103 /nfs/dbraw/zinc/39/71/03/546397103.db2.gz GRDBNVKPZAWWRH-ZDUSSCGKSA-N 1 3 300.447 0.282 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000332337890 282704058 /nfs/dbraw/zinc/70/40/58/282704058.db2.gz OGLSFUPFARYKAL-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419952831 295890653 /nfs/dbraw/zinc/89/06/53/295890653.db2.gz KDMNSCAULMFCFE-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000427310582 240355907 /nfs/dbraw/zinc/35/59/07/240355907.db2.gz VKMBRRICYPNBPM-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000277113713 296021420 /nfs/dbraw/zinc/02/14/20/296021420.db2.gz VZTCSYHSUHKTOQ-HUUCEWRRSA-N 1 3 319.453 0.693 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC000162966289 291245386 /nfs/dbraw/zinc/24/53/86/291245386.db2.gz XNIMVNVAJMINGS-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000566117651 291271741 /nfs/dbraw/zinc/27/17/41/291271741.db2.gz PGUYMXDLBRKTPF-OAGGEKHMSA-N 1 3 301.475 0.776 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000566233098 291285446 /nfs/dbraw/zinc/28/54/46/291285446.db2.gz GYSALRCVYJJEDT-TUKIKUTGSA-N 1 3 316.829 0.948 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416814558 239761000 /nfs/dbraw/zinc/76/10/00/239761000.db2.gz VNYWBEGYWFMDCK-GJZGRUSLSA-N 1 3 306.410 0.658 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000420813670 240060042 /nfs/dbraw/zinc/06/00/42/240060042.db2.gz YOFQKCLQEAFFJK-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567407835 291354137 /nfs/dbraw/zinc/35/41/37/291354137.db2.gz LJQDPSFXDWLDNF-UKRRQHHQSA-N 1 3 316.405 0.132 20 0 DCADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000567384207 291352981 /nfs/dbraw/zinc/35/29/81/291352981.db2.gz ZYSLMXHBSUINRE-OAHLLOKOSA-N 1 3 307.438 0.984 20 0 DCADHO CC(C)OCC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000567701097 291371363 /nfs/dbraw/zinc/37/13/63/291371363.db2.gz ZHBXHXUYHXCSHU-HNNXBMFYSA-N 1 3 301.475 0.778 20 0 DCADHO O=C(NCCNc1ccncc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000567729767 291373474 /nfs/dbraw/zinc/37/34/74/291373474.db2.gz AYUDIQXMCLELEN-LLVKDONJSA-N 1 3 300.366 0.145 20 0 DCADHO Cc1c(C(=O)NC[C@H](C)N2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000567732178 291373679 /nfs/dbraw/zinc/37/36/79/291373679.db2.gz WUMXOLAPGBRZNW-LBPRGKRZSA-N 1 3 320.441 0.725 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH2+]CC1)C(=O)NCCN1CCCCC1 ZINC000567897075 291389050 /nfs/dbraw/zinc/38/90/50/291389050.db2.gz CRBUIAOMPRSEOE-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567990529 291395757 /nfs/dbraw/zinc/39/57/57/291395757.db2.gz FIIHLWNCTYBWLZ-JKSUJKDBSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000569607865 291487683 /nfs/dbraw/zinc/48/76/83/291487683.db2.gz VEIXAHJFQMTQPL-GJZGRUSLSA-N 1 3 324.469 0.323 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000569746047 291494320 /nfs/dbraw/zinc/49/43/20/291494320.db2.gz WVBHWBUAAZKHIH-RRFJBIMHSA-N 1 3 324.469 0.419 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000572247253 291556907 /nfs/dbraw/zinc/55/69/07/291556907.db2.gz ZYPVRDRFFKVVGL-ZDUSSCGKSA-N 1 3 319.409 0.150 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000573372342 291628616 /nfs/dbraw/zinc/62/86/16/291628616.db2.gz JUJVTGQOXUGAGV-INIZCTEOSA-N 1 3 316.449 0.868 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])C[C@H]2N)cn1 ZINC000333613258 252744045 /nfs/dbraw/zinc/74/40/45/252744045.db2.gz SIHGPGFVUGONBC-MHEUCROKSA-N 1 3 320.441 0.374 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000347047066 285058784 /nfs/dbraw/zinc/05/87/84/285058784.db2.gz QOTYFCWPJZBFHZ-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000339575489 253107043 /nfs/dbraw/zinc/10/70/43/253107043.db2.gz SCQGYRZJHHKCAB-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000340117133 253202319 /nfs/dbraw/zinc/20/23/19/253202319.db2.gz HLZUDBIXWKSIGH-HOTGVXAUSA-N 1 3 310.486 0.895 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000347721756 254182492 /nfs/dbraw/zinc/18/24/92/254182492.db2.gz KBZXXFQOIKSYIA-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000349693276 254293581 /nfs/dbraw/zinc/29/35/81/254293581.db2.gz MSAGYJKZRHFZOJ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000348768202 254253824 /nfs/dbraw/zinc/25/38/24/254253824.db2.gz ZACFMPNORRFFJO-ZFWWWQNUSA-N 1 3 322.453 0.354 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000348768202 254253825 /nfs/dbraw/zinc/25/38/25/254253825.db2.gz ZACFMPNORRFFJO-ZFWWWQNUSA-N 1 3 322.453 0.354 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)CCOC1C[NH2+]C1 ZINC000349058398 254271402 /nfs/dbraw/zinc/27/14/02/254271402.db2.gz SQWXCTAEZCTOSC-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)CCOC1CNC1 ZINC000349058398 254271404 /nfs/dbraw/zinc/27/14/04/254271404.db2.gz SQWXCTAEZCTOSC-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000352086262 254396890 /nfs/dbraw/zinc/39/68/90/254396890.db2.gz BIOLLODXFUKXFW-YPMHNXCESA-N 1 3 300.447 0.178 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1 ZINC000125556027 285279682 /nfs/dbraw/zinc/27/96/82/285279682.db2.gz ISNGYAMOGUOZSJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1 ZINC000125556027 285279683 /nfs/dbraw/zinc/27/96/83/285279683.db2.gz ISNGYAMOGUOZSJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000289619194 221107124 /nfs/dbraw/zinc/10/71/24/221107124.db2.gz AYNSWESAXVEIIR-CQSZACIVSA-N 1 3 307.394 0.515 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H](F)CN2)Cc2ccccc2C1 ZINC000275541585 130332431 /nfs/dbraw/zinc/33/24/31/130332431.db2.gz QEVHGUXEJGERLW-LSDHHAIUSA-N 1 3 305.397 0.902 20 0 DCADHO COCCN(C)CCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103615482 395774547 /nfs/dbraw/zinc/77/45/47/395774547.db2.gz IJGNALVVHGVORR-UHFFFAOYSA-N 1 3 300.447 0.548 20 0 DCADHO COCCNCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237193139 395906101 /nfs/dbraw/zinc/90/61/01/395906101.db2.gz MDOBLPWWSCKJDE-KRWDZBQOSA-N 1 3 319.449 0.903 20 0 DCADHO COCCNCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237193139 395906104 /nfs/dbraw/zinc/90/61/04/395906104.db2.gz MDOBLPWWSCKJDE-KRWDZBQOSA-N 1 3 319.449 0.903 20 0 DCADHO C[C@H](CC(=O)NCCCN1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237621362 395916656 /nfs/dbraw/zinc/91/66/56/395916656.db2.gz WMSQSMCULIJWFS-HZPDHXFCSA-N 1 3 310.486 0.766 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@@H]1CCN(C2CC2)C1=O ZINC000120248956 395881361 /nfs/dbraw/zinc/88/13/61/395881361.db2.gz NNVPOSSLDMKERY-MRXNPFEDSA-N 1 3 308.470 0.708 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261842707 396071884 /nfs/dbraw/zinc/07/18/84/396071884.db2.gz OBARAXKPLQSSLS-CVEARBPZSA-N 1 3 310.486 0.766 20 0 DCADHO COc1c(C)cnc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000261653008 396052535 /nfs/dbraw/zinc/05/25/35/396052535.db2.gz FKMMKNMEFZTAMR-AWEZNQCLSA-N 1 3 320.437 0.994 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)CN1C1CC1 ZINC000262060774 396094544 /nfs/dbraw/zinc/09/45/44/396094544.db2.gz AWYYHKZAMYYWMF-KGLIPLIRSA-N 1 3 317.437 0.703 20 0 DCADHO COCCN1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262350127 396129023 /nfs/dbraw/zinc/12/90/23/396129023.db2.gz UJBFQCHRSFHYOM-LXINESAQSA-N 1 3 309.454 0.977 20 0 DCADHO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCN2CCCC2)c1 ZINC000172305370 396130417 /nfs/dbraw/zinc/13/04/17/396130417.db2.gz DCGDRFHFCJMMSV-UHFFFAOYSA-N 1 3 318.421 0.899 20 0 DCADHO C[NH+](C)CCOc1cccc(NC(=O)C[C@H]2CNCCO2)c1 ZINC000262375294 396132164 /nfs/dbraw/zinc/13/21/64/396132164.db2.gz YAMHNOXLSMQAMW-HNNXBMFYSA-N 1 3 307.394 0.944 20 0 DCADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262423392 396137926 /nfs/dbraw/zinc/13/79/26/396137926.db2.gz AXUYDBRUEMEXEQ-IRXDYDNUSA-N 1 3 317.433 0.798 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261882668 396075586 /nfs/dbraw/zinc/07/55/86/396075586.db2.gz SAUCQTUQSJTFIP-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000261912726 396078763 /nfs/dbraw/zinc/07/87/63/396078763.db2.gz WPTIDEKSLKQYLK-CQSZACIVSA-N 1 3 320.437 0.623 20 0 DCADHO Cc1c(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cnn1C ZINC000261952419 396083371 /nfs/dbraw/zinc/08/33/71/396083371.db2.gz WPMZLSUTDOYRCI-GDBMZVCRSA-N 1 3 319.453 0.809 20 0 DCADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccsc1 ZINC000262566785 396155909 /nfs/dbraw/zinc/15/59/09/396155909.db2.gz YCGJEAFUBPILEM-MGPQQGTHSA-N 1 3 311.451 0.970 20 0 DCADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262569400 396157027 /nfs/dbraw/zinc/15/70/27/396157027.db2.gz YRJXXGCWOPCBJB-SJORKVTESA-N 1 3 317.433 0.533 20 0 DCADHO CC[NH+]1CCN(CCNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000262623608 396163475 /nfs/dbraw/zinc/16/34/75/396163475.db2.gz ARKBPYHTFPDJMW-INIZCTEOSA-N 1 3 304.438 0.310 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCc1ccccc1OCCN(C)C ZINC000262902473 396190664 /nfs/dbraw/zinc/19/06/64/396190664.db2.gz PVCIECXDMCAEOX-AWEZNQCLSA-N 1 3 309.410 0.607 20 0 DCADHO Cn1ncc2c1ncnc2N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178978512 396217124 /nfs/dbraw/zinc/21/71/24/396217124.db2.gz RUDNBMSCMDDVKQ-UHFFFAOYSA-N 1 3 315.425 0.485 20 0 DCADHO CNC(=O)C[C@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268853970 396375038 /nfs/dbraw/zinc/37/50/38/396375038.db2.gz YOGFVKPBXYNVFA-HNNXBMFYSA-N 1 3 319.453 0.708 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[NH+](C)C ZINC000269482666 396418110 /nfs/dbraw/zinc/41/81/10/396418110.db2.gz BDAOZSWITBYROL-SJORKVTESA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C2)CC1 ZINC000580772758 396498028 /nfs/dbraw/zinc/49/80/28/396498028.db2.gz UMVQUJOWRRTKDP-SOLBZPMBSA-N 1 3 320.481 0.613 20 0 DCADHO COCC1(C(=O)Nc2cnc3c(c2)CNCC3)CC[NH2+]CC1 ZINC000373514578 396596288 /nfs/dbraw/zinc/59/62/88/396596288.db2.gz JTXRGRSZVPPCRN-UHFFFAOYSA-N 1 3 304.394 0.682 20 0 DCADHO C[C@@H](NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000583625076 396612065 /nfs/dbraw/zinc/61/20/65/396612065.db2.gz DXJMOQZHFNEXQW-NVXWUHKLSA-N 1 3 322.497 0.908 20 0 DCADHO C[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C(=O)NCC[NH+](C)C ZINC000560563275 396620504 /nfs/dbraw/zinc/62/05/04/396620504.db2.gz YSUOOMAMOYIFOB-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000584843823 396629244 /nfs/dbraw/zinc/62/92/44/396629244.db2.gz SVLMWVXZZNKHOF-NFAWXSAZSA-N 1 3 320.441 0.773 20 0 DCADHO C[NH2+]CCC1CCN([C@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000595889735 396676540 /nfs/dbraw/zinc/67/65/40/396676540.db2.gz WDYBODPAQFWCRB-AWEZNQCLSA-N 1 3 311.426 0.472 20 0 DCADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295221779 396686224 /nfs/dbraw/zinc/68/62/24/396686224.db2.gz MWPJDENLJSPDRC-VQFNDLOPSA-N 1 3 314.433 0.533 20 0 DCADHO CCN1CCN(CCCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000563091748 396701432 /nfs/dbraw/zinc/70/14/32/396701432.db2.gz DSVSWBWRKUCMDB-GJZGRUSLSA-N 1 3 313.490 0.829 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563116415 396704955 /nfs/dbraw/zinc/70/49/55/396704955.db2.gz HONAIFJEOVZLNY-GJZGRUSLSA-N 1 3 320.441 0.775 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563116415 396704959 /nfs/dbraw/zinc/70/49/59/396704959.db2.gz HONAIFJEOVZLNY-GJZGRUSLSA-N 1 3 320.441 0.775 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000563116415 396704963 /nfs/dbraw/zinc/70/49/63/396704963.db2.gz HONAIFJEOVZLNY-GJZGRUSLSA-N 1 3 320.441 0.775 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563160856 396710554 /nfs/dbraw/zinc/71/05/54/396710554.db2.gz TZLMRMINEDYYHR-HNNXBMFYSA-N 1 3 310.442 0.077 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000563198499 396713253 /nfs/dbraw/zinc/71/32/53/396713253.db2.gz DLAUBLFYNFBWPM-UKRRQHHQSA-N 1 3 305.426 0.879 20 0 DCADHO COCCN(C)C[C@H](O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000563350512 396722595 /nfs/dbraw/zinc/72/25/95/396722595.db2.gz OVXMJDYXLPWESD-SJORKVTESA-N 1 3 313.486 0.876 20 0 DCADHO O[C@@H](CNC[C@@H]1CCN(CC(F)(F)F)C1)C[NH+]1CCCC1 ZINC000629557888 396786351 /nfs/dbraw/zinc/78/63/51/396786351.db2.gz HXQUODSJZUIFAX-STQMWFEESA-N 1 3 309.376 0.917 20 0 DCADHO CC(C)OCCN1CCC([NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629566091 396789372 /nfs/dbraw/zinc/78/93/72/396789372.db2.gz SHBZCZBWCJOKTB-KRWDZBQOSA-N 1 3 313.486 0.922 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000563618887 396761781 /nfs/dbraw/zinc/76/17/81/396761781.db2.gz QOSIEVQHQCVCCW-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000629793835 396836970 /nfs/dbraw/zinc/83/69/70/396836970.db2.gz JAYNFDQKVXCCEU-UHFFFAOYSA-N 1 3 310.442 0.271 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000629799997 396839554 /nfs/dbraw/zinc/83/95/54/396839554.db2.gz WBDGTXIIQWOKPR-AWEZNQCLSA-N 1 3 310.442 0.271 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000629804051 396841789 /nfs/dbraw/zinc/84/17/89/396841789.db2.gz RWHFGRBWDYWCIT-ZFWWWQNUSA-N 1 3 322.453 0.269 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000629804051 396841795 /nfs/dbraw/zinc/84/17/95/396841795.db2.gz RWHFGRBWDYWCIT-ZFWWWQNUSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CN1C1CC1 ZINC000564942967 396905959 /nfs/dbraw/zinc/90/59/59/396905959.db2.gz UMJYWZXCGSVQHD-FRRDWIJNSA-N 1 3 318.425 0.385 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)C[C@H]2N)cn1 ZINC000634771270 396912960 /nfs/dbraw/zinc/91/29/60/396912960.db2.gz OWUQORPHXJNCPU-AYDFFVQHSA-N 1 3 303.410 0.063 20 0 DCADHO CCOC(=O)C1([C@@H](C)NCc2cnnn2CC)CC[NH2+]CC1 ZINC000600706335 396924700 /nfs/dbraw/zinc/92/47/00/396924700.db2.gz UXMQZXVAAYPVGH-GFCCVEGCSA-N 1 3 309.414 0.709 20 0 DCADHO C[C@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)CN1 ZINC000333834833 396933739 /nfs/dbraw/zinc/93/37/39/396933739.db2.gz UDPYMNNSHMYHJO-KBPBESRZSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)CN1 ZINC000333834833 396933747 /nfs/dbraw/zinc/93/37/47/396933747.db2.gz UDPYMNNSHMYHJO-KBPBESRZSA-N 1 3 311.474 0.404 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339318033 396956721 /nfs/dbraw/zinc/95/67/21/396956721.db2.gz URPDHXBMFHLDSI-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000343634372 396998607 /nfs/dbraw/zinc/99/86/07/396998607.db2.gz WOWWOEUJGVMPGQ-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000612546978 397088150 /nfs/dbraw/zinc/08/81/50/397088150.db2.gz XPKAOXROBMJGRF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000612546978 397088156 /nfs/dbraw/zinc/08/81/56/397088156.db2.gz XPKAOXROBMJGRF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC000573108096 397134733 /nfs/dbraw/zinc/13/47/33/397134733.db2.gz BRYUEJIDOXAINJ-YJNKXOJESA-N 1 3 322.453 0.125 20 0 DCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CCN2C1=O ZINC000573138481 397140246 /nfs/dbraw/zinc/14/02/46/397140246.db2.gz MGPAAAGVLDUNHL-YIYPIFLZSA-N 1 3 308.426 0.055 20 0 DCADHO COC[C@]1(CNC(=O)N2CCCN(C(C)C)CC2)CCC[NH2+]1 ZINC000573190124 397142877 /nfs/dbraw/zinc/14/28/77/397142877.db2.gz AORKEWNUFBYRRO-MRXNPFEDSA-N 1 3 312.458 0.881 20 0 DCADHO N[C@H]1Cc2ccccc2N(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000573235891 397147579 /nfs/dbraw/zinc/14/75/79/397147579.db2.gz ZLPVNLKSASMJBD-LBPRGKRZSA-N 1 3 300.366 0.157 20 0 DCADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000573821432 397209988 /nfs/dbraw/zinc/20/99/88/397209988.db2.gz HKYZITGTXQLBND-HRCADAONSA-N 1 3 323.485 0.263 20 0 DCADHO CCOCC[C@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000574565249 397279657 /nfs/dbraw/zinc/27/96/57/397279657.db2.gz MMHSSEANOULGTB-KRWDZBQOSA-N 1 3 313.486 0.922 20 0 DCADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NCC[C@H](C)[NH3+])CC1 ZINC000598733784 397285698 /nfs/dbraw/zinc/28/56/98/397285698.db2.gz DZFPRHNRHYUXOG-STQMWFEESA-N 1 3 313.442 0.894 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000389859599 397298672 /nfs/dbraw/zinc/29/86/72/397298672.db2.gz CQPVLKCNYLYION-MIGQKNRLSA-N 1 3 303.406 0.346 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)CC1 ZINC000602330647 397373981 /nfs/dbraw/zinc/37/39/81/397373981.db2.gz PIITZJDHHKBYCQ-GDBMZVCRSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)CC1 ZINC000602330647 397373984 /nfs/dbraw/zinc/37/39/84/397373984.db2.gz PIITZJDHHKBYCQ-GDBMZVCRSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602330647 397373987 /nfs/dbraw/zinc/37/39/87/397373987.db2.gz PIITZJDHHKBYCQ-GDBMZVCRSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H](CNC(=O)NCCOCCN(C)C)C[NH+]1CCCC1 ZINC000471638321 397448497 /nfs/dbraw/zinc/44/84/97/397448497.db2.gz RRBSYLRYHGFKHD-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000422103136 397390535 /nfs/dbraw/zinc/39/05/35/397390535.db2.gz HBGFYLNOABVLCY-PBHICJAKSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000422103136 397390541 /nfs/dbraw/zinc/39/05/41/397390541.db2.gz HBGFYLNOABVLCY-PBHICJAKSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000487475366 397473351 /nfs/dbraw/zinc/47/33/51/397473351.db2.gz OVODMSZADOOOTR-IIAWOOMASA-N 1 3 309.454 0.896 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000487475366 397473356 /nfs/dbraw/zinc/47/33/56/397473356.db2.gz OVODMSZADOOOTR-IIAWOOMASA-N 1 3 309.454 0.896 20 0 DCADHO COc1cnccc1N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000487599222 397476236 /nfs/dbraw/zinc/47/62/36/397476236.db2.gz OZOQCYOHLXYDEG-UONOGXRCSA-N 1 3 318.421 0.937 20 0 DCADHO COc1cnccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487599222 397476240 /nfs/dbraw/zinc/47/62/40/397476240.db2.gz OZOQCYOHLXYDEG-UONOGXRCSA-N 1 3 318.421 0.937 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000579003678 397513733 /nfs/dbraw/zinc/51/37/33/397513733.db2.gz LXOWATLCIGGESW-PMPSAXMXSA-N 1 3 311.470 0.830 20 0 DCADHO O=C(NCCNc1ccncc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000579832303 397594588 /nfs/dbraw/zinc/59/45/88/397594588.db2.gz VKKFDDUBINELSL-SFHVURJKSA-N 1 3 310.401 0.963 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCCCN1C ZINC000606371690 397679417 /nfs/dbraw/zinc/67/94/17/397679417.db2.gz PYRKGLNWTJXVAM-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCCCN1C ZINC000606371690 397679418 /nfs/dbraw/zinc/67/94/18/397679418.db2.gz PYRKGLNWTJXVAM-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000606699478 397687003 /nfs/dbraw/zinc/68/70/03/397687003.db2.gz OMGUSWNHUCHRJV-ZFWWWQNUSA-N 1 3 312.458 0.737 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCCO1 ZINC000607237111 397699219 /nfs/dbraw/zinc/69/92/19/397699219.db2.gz OLYMQBMBCOTNOD-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1(C)C ZINC000377572778 286305460 /nfs/dbraw/zinc/30/54/60/286305460.db2.gz UBVFVHWRLLYUBY-CKEIUWERSA-N 1 3 324.469 0.025 20 0 DCADHO COC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCOC1 ZINC001647412591 1172869728 /nfs/dbraw/zinc/86/97/28/1172869728.db2.gz NRJSSCAIVOZIHV-KFWWJZLASA-N 1 3 313.442 0.215 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1(C)C ZINC000377572781 286415708 /nfs/dbraw/zinc/41/57/08/286415708.db2.gz UBVFVHWRLLYUBY-VBQJREDUSA-N 1 3 324.469 0.025 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129571789 158289854 /nfs/dbraw/zinc/28/98/54/158289854.db2.gz DFHDAWBWRXGBQK-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000359278858 159260663 /nfs/dbraw/zinc/26/06/63/159260663.db2.gz UAAHYVPDNMGECD-AWEZNQCLSA-N 1 3 314.474 0.632 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000359278858 159260665 /nfs/dbraw/zinc/26/06/65/159260665.db2.gz UAAHYVPDNMGECD-AWEZNQCLSA-N 1 3 314.474 0.632 20 0 DCADHO CCc1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000133116577 287009217 /nfs/dbraw/zinc/00/92/17/287009217.db2.gz XQLCXAUWTZEADG-UHFFFAOYSA-N 1 3 308.430 0.996 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000332576404 287218791 /nfs/dbraw/zinc/21/87/91/287218791.db2.gz GCNHDWDXPNFMGU-BYNSBNAKSA-N 1 3 322.453 0.328 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418635507 287251798 /nfs/dbraw/zinc/25/17/98/287251798.db2.gz KURCBCIJNNHXDU-RDJZCZTQSA-N 1 3 320.437 0.485 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000419023071 287262524 /nfs/dbraw/zinc/26/25/24/287262524.db2.gz IZQUPHPFCQJGIS-BYNSBNAKSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419050723 287264449 /nfs/dbraw/zinc/26/44/49/287264449.db2.gz YXQLMAADQMVBGN-CYBMUJFWSA-N 1 3 324.469 0.611 20 0 DCADHO CN1CCN(C(=O)CC[N@H+](CCCN)CC2CCCC2)CC1 ZINC000420321517 287290355 /nfs/dbraw/zinc/29/03/55/287290355.db2.gz VKTCHZHYPQVGLM-UHFFFAOYSA-N 1 3 310.486 0.992 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+](CCCN)CC2CCCC2)CC1 ZINC000420321517 287290359 /nfs/dbraw/zinc/29/03/59/287290359.db2.gz VKTCHZHYPQVGLM-UHFFFAOYSA-N 1 3 310.486 0.992 20 0 DCADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331573729 415136718 /nfs/dbraw/zinc/13/67/18/415136718.db2.gz VNLOTKCVTUWPND-MCIONIFRSA-N 1 3 310.442 0.090 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332085120 415235920 /nfs/dbraw/zinc/23/59/20/415235920.db2.gz FFNLSPGVRZGIRB-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332085120 415235931 /nfs/dbraw/zinc/23/59/31/415235931.db2.gz FFNLSPGVRZGIRB-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000332111186 415249896 /nfs/dbraw/zinc/24/98/96/415249896.db2.gz SWOTYTCYAHOBPO-LXTVHRRPSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000332383870 415372733 /nfs/dbraw/zinc/37/27/33/415372733.db2.gz VOCFFYDKKYKMEV-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000343213263 415506672 /nfs/dbraw/zinc/50/66/72/415506672.db2.gz VLPRRDMBMSVIQV-GJZGRUSLSA-N 1 3 308.470 0.376 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343296324 415541358 /nfs/dbraw/zinc/54/13/58/415541358.db2.gz LXWDOQFTJCHLGG-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343296324 415541366 /nfs/dbraw/zinc/54/13/66/415541366.db2.gz LXWDOQFTJCHLGG-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000343302566 415546126 /nfs/dbraw/zinc/54/61/26/415546126.db2.gz RFJFEFPJVAHITD-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN(C)C1CC1)C[NH+]1CCCCC1 ZINC000343314138 415552822 /nfs/dbraw/zinc/55/28/22/415552822.db2.gz VAYSROVZXPVOJS-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000333353099 415619387 /nfs/dbraw/zinc/61/93/87/415619387.db2.gz JWUNXSYPPUTPSU-YRGRVCCFSA-N 1 3 300.472 0.721 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000343672086 415679106 /nfs/dbraw/zinc/67/91/06/415679106.db2.gz GMLIAFDRZUQUBR-HNNXBMFYSA-N 1 3 310.486 0.718 20 0 DCADHO NC[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000343694969 415687457 /nfs/dbraw/zinc/68/74/57/415687457.db2.gz WFXGYOAJLFRZPZ-CVEARBPZSA-N 1 3 320.412 0.374 20 0 DCADHO C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)N(C)C1CC1 ZINC000111856662 415696603 /nfs/dbraw/zinc/69/66/03/415696603.db2.gz RVXWYQIXQFKBHJ-CYBMUJFWSA-N 1 3 312.458 0.473 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@H](C[NH3+])C3CCCC3)C[C@H]2N)cn1 ZINC000333653081 415704889 /nfs/dbraw/zinc/70/48/89/415704889.db2.gz ZIGFZYYSPOEYET-RRFJBIMHSA-N 1 3 320.441 0.374 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343836910 415745702 /nfs/dbraw/zinc/74/57/02/415745702.db2.gz VOOCGFZDWYNMOF-VAQLIOGMSA-N 1 3 305.422 0.496 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000343863105 415756760 /nfs/dbraw/zinc/75/67/60/415756760.db2.gz HOBGTYWFNKXSHK-CQSZACIVSA-N 1 3 313.442 0.990 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000343863105 415756766 /nfs/dbraw/zinc/75/67/66/415756766.db2.gz HOBGTYWFNKXSHK-CQSZACIVSA-N 1 3 313.442 0.990 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000336861140 415846954 /nfs/dbraw/zinc/84/69/54/415846954.db2.gz XSCLWEBADAFZJT-OAHLLOKOSA-N 1 3 312.458 0.324 20 0 DCADHO COCCN1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000356218870 415884522 /nfs/dbraw/zinc/88/45/22/415884522.db2.gz WKXJHCFJCDSZLB-UHFFFAOYSA-N 1 3 321.425 0.325 20 0 DCADHO CN(C)CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000133553277 415949302 /nfs/dbraw/zinc/94/93/02/415949302.db2.gz WDSBJRLYTRQTIM-UHFFFAOYSA-N 1 3 308.426 0.988 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC000152671758 415969368 /nfs/dbraw/zinc/96/93/68/415969368.db2.gz MSDXZHHNXGDFTM-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1CCCOC1 ZINC000356852396 415996568 /nfs/dbraw/zinc/99/65/68/415996568.db2.gz RMAYTTDYLRVRCH-IAGOWNOFSA-N 1 3 313.486 0.781 20 0 DCADHO C[C@H](Cn1cccn1)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000345210069 416061750 /nfs/dbraw/zinc/06/17/50/416061750.db2.gz MEZUOAGURKQXOP-MRXNPFEDSA-N 1 3 309.458 0.251 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000173926071 416070184 /nfs/dbraw/zinc/07/01/84/416070184.db2.gz NKBYJGXZFLDRCP-CYBMUJFWSA-N 1 3 308.430 0.908 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000173926071 416070187 /nfs/dbraw/zinc/07/01/87/416070187.db2.gz NKBYJGXZFLDRCP-CYBMUJFWSA-N 1 3 308.430 0.908 20 0 DCADHO CC(C)c1nc(CN(C)[C@@H]2CCN(CCOCC[NH3+])C2)no1 ZINC000357074617 416030465 /nfs/dbraw/zinc/03/04/65/416030465.db2.gz MZJQXMYBOIHMBY-CYBMUJFWSA-N 1 3 311.430 0.674 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176098842 416120076 /nfs/dbraw/zinc/12/00/76/416120076.db2.gz KSHYDSMAJAXMLO-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)CCN(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176378559 416125398 /nfs/dbraw/zinc/12/53/98/416125398.db2.gz IQFLXTYPPNHVDJ-CQSZACIVSA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345729458 416140129 /nfs/dbraw/zinc/14/01/29/416140129.db2.gz WYEDPNQYRWZOFV-WDEREUQCSA-N 1 3 320.384 0.028 20 0 DCADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1cccs1 ZINC000357921545 416153306 /nfs/dbraw/zinc/15/33/06/416153306.db2.gz MPYWOYRDRMYVRI-UKTARXLSSA-N 1 3 323.462 0.970 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347976234 416229980 /nfs/dbraw/zinc/22/99/80/416229980.db2.gz YUHMJNQEZWVHSI-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347976234 416229984 /nfs/dbraw/zinc/22/99/84/416229984.db2.gz YUHMJNQEZWVHSI-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)C1 ZINC000357950749 416158405 /nfs/dbraw/zinc/15/84/05/416158405.db2.gz AKHINBRFZUPJIB-ZIAGYGMSSA-N 1 3 300.447 0.735 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000357950749 416158406 /nfs/dbraw/zinc/15/84/06/416158406.db2.gz AKHINBRFZUPJIB-ZIAGYGMSSA-N 1 3 300.447 0.735 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000339749123 416164417 /nfs/dbraw/zinc/16/44/17/416164417.db2.gz GSISYBCRBOXDCT-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358505623 416246501 /nfs/dbraw/zinc/24/65/01/416246501.db2.gz KUDBHGFZKQYMCD-KBPBESRZSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000358531387 416252110 /nfs/dbraw/zinc/25/21/10/416252110.db2.gz SINPXLZWKPGCEO-KBPBESRZSA-N 1 3 300.447 0.329 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000187024240 416259010 /nfs/dbraw/zinc/25/90/10/416259010.db2.gz FYJAQEATFMZHQH-CHWSQXEVSA-N 1 3 314.430 0.169 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000341979763 416262401 /nfs/dbraw/zinc/26/24/01/416262401.db2.gz GGRXGVAPQDDUIL-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000341979763 416262402 /nfs/dbraw/zinc/26/24/02/416262402.db2.gz GGRXGVAPQDDUIL-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262059357 416335793 /nfs/dbraw/zinc/33/57/93/416335793.db2.gz ARAUIBHKXLVINO-ZFWWWQNUSA-N 1 3 317.437 0.561 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263339131 416337817 /nfs/dbraw/zinc/33/78/17/416337817.db2.gz OKYGQUPQRDKKIW-INIZCTEOSA-N 1 3 304.438 0.830 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415642031 416350203 /nfs/dbraw/zinc/35/02/03/416350203.db2.gz MTBOQGYCGNFRTJ-ZDUSSCGKSA-N 1 3 318.421 0.727 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415787749 416353801 /nfs/dbraw/zinc/35/38/01/416353801.db2.gz NJIGACUFGPNWFS-CYBMUJFWSA-N 1 3 306.410 0.849 20 0 DCADHO CN(C)CCOCCNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415950570 416357465 /nfs/dbraw/zinc/35/74/65/416357465.db2.gz XTSZXANJPKNTIK-UHFFFAOYSA-N 1 3 310.398 0.724 20 0 DCADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000359927918 416366441 /nfs/dbraw/zinc/36/64/41/416366441.db2.gz ZIRPQBWADDMHQM-HIFRSBDPSA-N 1 3 300.447 0.473 20 0 DCADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000359927918 416366443 /nfs/dbraw/zinc/36/64/43/416366443.db2.gz ZIRPQBWADDMHQM-HIFRSBDPSA-N 1 3 300.447 0.473 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420064918 416416770 /nfs/dbraw/zinc/41/67/70/416416770.db2.gz PEEZEHQIJARZPK-KKUMJFAQSA-N 1 3 324.469 0.561 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000417560387 416383045 /nfs/dbraw/zinc/38/30/45/416383045.db2.gz ZRVICSMDEVWJDW-HUUCEWRRSA-N 1 3 312.458 0.929 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000417560387 416383047 /nfs/dbraw/zinc/38/30/47/416383047.db2.gz ZRVICSMDEVWJDW-HUUCEWRRSA-N 1 3 312.458 0.929 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417785504 416384072 /nfs/dbraw/zinc/38/40/72/416384072.db2.gz DDOSIPFTEXTXOE-GJZGRUSLSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417785504 416384074 /nfs/dbraw/zinc/38/40/74/416384074.db2.gz DDOSIPFTEXTXOE-GJZGRUSLSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCO1 ZINC000418119175 416385593 /nfs/dbraw/zinc/38/55/93/416385593.db2.gz ULZBINJRTSCBDV-KFWWJZLASA-N 1 3 312.458 0.914 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCO1 ZINC000418119179 416385665 /nfs/dbraw/zinc/38/56/65/416385665.db2.gz ULZBINJRTSCBDV-RBSFLKMASA-N 1 3 312.458 0.914 20 0 DCADHO CCC[NH2+]CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418492839 416387614 /nfs/dbraw/zinc/38/76/14/416387614.db2.gz WJVAZZUZAQZZIU-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418659601 416388587 /nfs/dbraw/zinc/38/85/87/416388587.db2.gz XOYJCJPRINEUNR-GOEBONIOSA-N 1 3 319.453 0.452 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419117440 416396879 /nfs/dbraw/zinc/39/68/79/416396879.db2.gz HFTJKVWDQCTRJD-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1CCC(C)CC1 ZINC000419142975 416397439 /nfs/dbraw/zinc/39/74/39/416397439.db2.gz DDOZYXIABPIYLO-GXTWGEPZSA-N 1 3 310.442 0.077 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000419289083 416398719 /nfs/dbraw/zinc/39/87/19/416398719.db2.gz SMKBUTBHVRJGSV-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419528526 416403689 /nfs/dbraw/zinc/40/36/89/416403689.db2.gz WGFRFTIMQQMJLC-ZFWWWQNUSA-N 1 3 320.437 0.649 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419528526 416403690 /nfs/dbraw/zinc/40/36/90/416403690.db2.gz WGFRFTIMQQMJLC-ZFWWWQNUSA-N 1 3 320.437 0.649 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000419734819 416407518 /nfs/dbraw/zinc/40/75/18/416407518.db2.gz PNCDIUNFUZEXPD-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000419734209 416407704 /nfs/dbraw/zinc/40/77/04/416407704.db2.gz OXYYKJSKGZNGLD-UHFFFAOYSA-N 1 3 320.437 0.432 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419754790 416408840 /nfs/dbraw/zinc/40/88/40/416408840.db2.gz AQSQAERUOKDGMC-CHWSQXEVSA-N 1 3 312.458 0.323 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419780290 416410675 /nfs/dbraw/zinc/41/06/75/416410675.db2.gz QQVGTMVTFQUSQY-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419783332 416410690 /nfs/dbraw/zinc/41/06/90/416410690.db2.gz VLQHYXIMFYVUII-BFHYXJOUSA-N 1 3 324.469 0.419 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419782112 416410846 /nfs/dbraw/zinc/41/08/46/416410846.db2.gz TWKHQMQKBWRXBQ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)CCC1 ZINC000419800343 416413034 /nfs/dbraw/zinc/41/30/34/416413034.db2.gz HOTNUPPLWMYDCQ-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423059950 416462490 /nfs/dbraw/zinc/46/24/90/416462490.db2.gz GWROUTJBNJZLKN-GJZGRUSLSA-N 1 3 324.469 0.101 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000423125665 416469875 /nfs/dbraw/zinc/46/98/75/416469875.db2.gz NULADTNVESJBMJ-XQQFMLRXSA-N 1 3 306.476 0.363 20 0 DCADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@@H]1CCCCN1 ZINC000423171751 416472157 /nfs/dbraw/zinc/47/21/57/416472157.db2.gz PWHVHEGJEAXVNB-CVEARBPZSA-N 1 3 311.470 0.988 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458553145 416481638 /nfs/dbraw/zinc/48/16/38/416481638.db2.gz KSEOKLASVQHSIF-FVQBIDKESA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458553145 416481642 /nfs/dbraw/zinc/48/16/42/416481642.db2.gz KSEOKLASVQHSIF-FVQBIDKESA-N 1 3 324.469 0.615 20 0 DCADHO C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CC[NH2+]CC1 ZINC000361717742 416483373 /nfs/dbraw/zinc/48/33/73/416483373.db2.gz HTJMAQWRHSKTFZ-VNQPRFMTSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CC[NH2+]CC1 ZINC000361717740 416484006 /nfs/dbraw/zinc/48/40/06/416484006.db2.gz HTJMAQWRHSKTFZ-FVQBIDKESA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[N@H+](C)C1CC1 ZINC000422309533 416425854 /nfs/dbraw/zinc/42/58/54/416425854.db2.gz UBLPLYCLOCQUQB-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[N@@H+](C)C1CC1 ZINC000422309533 416425855 /nfs/dbraw/zinc/42/58/55/416425855.db2.gz UBLPLYCLOCQUQB-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCC1 ZINC000458677499 416490072 /nfs/dbraw/zinc/49/00/72/416490072.db2.gz IAIRYDGRLPEMFK-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1CCCO)[N@H+](C)C1CC1 ZINC000458292825 416448716 /nfs/dbraw/zinc/44/87/16/416448716.db2.gz OHBQHSUARCCZMM-DZGCQCFKSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1CCCO)[N@@H+](C)C1CC1 ZINC000458292825 416448721 /nfs/dbraw/zinc/44/87/21/416448721.db2.gz OHBQHSUARCCZMM-DZGCQCFKSA-N 1 3 312.458 0.615 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422970090 416453161 /nfs/dbraw/zinc/45/31/61/416453161.db2.gz FIGWAIBFJPCVKS-ROKHWSDSSA-N 1 3 312.458 0.609 20 0 DCADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000422971592 416453471 /nfs/dbraw/zinc/45/34/71/416453471.db2.gz JFODKQXAUDWUSJ-YMAMQOFZSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000422972445 416453596 /nfs/dbraw/zinc/45/35/96/416453596.db2.gz LQDXUYDSYZYQDS-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423599108 416525414 /nfs/dbraw/zinc/52/54/14/416525414.db2.gz XEMPPSFOCIXODS-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)CCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423713992 416545665 /nfs/dbraw/zinc/54/56/65/416545665.db2.gz RJCKJOLDELMUKX-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)[C@H]1C[NH3+] ZINC000423718387 416548087 /nfs/dbraw/zinc/54/80/87/416548087.db2.gz BWMZAMYQJSZOJZ-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)CCOC1C[NH2+]C1 ZINC000423760512 416560593 /nfs/dbraw/zinc/56/05/93/416560593.db2.gz QJNAZLJETZCZIH-UHFFFAOYSA-N 1 3 306.410 0.350 20 0 DCADHO COC[C@]1(C(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]C1 ZINC000423347324 416495105 /nfs/dbraw/zinc/49/51/05/416495105.db2.gz RCDVPNABBAPMDL-UONOGXRCSA-N 1 3 301.456 0.166 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000458819240 416503941 /nfs/dbraw/zinc/50/39/41/416503941.db2.gz WAKMAWNEUFRLNP-LSDHHAIUSA-N 1 3 314.474 0.861 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000458819240 416503945 /nfs/dbraw/zinc/50/39/45/416503945.db2.gz WAKMAWNEUFRLNP-LSDHHAIUSA-N 1 3 314.474 0.861 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000423762105 416561191 /nfs/dbraw/zinc/56/11/91/416561191.db2.gz SDZHVROGVROZPC-HNNXBMFYSA-N 1 3 308.470 0.886 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000423762105 416561194 /nfs/dbraw/zinc/56/11/94/416561194.db2.gz SDZHVROGVROZPC-HNNXBMFYSA-N 1 3 308.470 0.886 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000423765384 416563113 /nfs/dbraw/zinc/56/31/13/416563113.db2.gz WXGJKENUJQRKPZ-GJZGRUSLSA-N 1 3 309.385 0.657 20 0 DCADHO CN1CC[C@@H]2OCCN(C(=O)[C@H](C[NH3+])c3ccccc3)[C@@H]2C1 ZINC000423930293 416592487 /nfs/dbraw/zinc/59/24/87/416592487.db2.gz KFIBELFRSUGGNH-OAGGEKHMSA-N 1 3 303.406 0.660 20 0 DCADHO C[C@H](CC(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21)C1CC[NH2+]CC1 ZINC000423930976 416593876 /nfs/dbraw/zinc/59/38/76/416593876.db2.gz LVSLZISPAKIWRZ-VNQPRFMTSA-N 1 3 309.454 0.944 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000438700502 416602644 /nfs/dbraw/zinc/60/26/44/416602644.db2.gz YSZKWSLENGXKBG-ZDUSSCGKSA-N 1 3 310.446 1.297 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424133829 416614331 /nfs/dbraw/zinc/61/43/31/416614331.db2.gz MTRPLBNXQZHHMR-KGLIPLIRSA-N 1 3 322.457 0.909 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000515386204 416698777 /nfs/dbraw/zinc/69/87/77/416698777.db2.gz IRKVFHYAGLHEEF-CABCVRRESA-N 1 3 308.470 0.661 20 0 DCADHO CN1CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442611093 416699276 /nfs/dbraw/zinc/69/92/76/416699276.db2.gz RFSMGSSKAOQQAT-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CN1CCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442611093 416699278 /nfs/dbraw/zinc/69/92/78/416699278.db2.gz RFSMGSSKAOQQAT-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CN1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](CN)C1 ZINC000557137425 416724999 /nfs/dbraw/zinc/72/49/99/416724999.db2.gz MPLOPBZVGZOFLH-CQSZACIVSA-N 1 3 311.474 0.535 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000516467989 416725315 /nfs/dbraw/zinc/72/53/15/416725315.db2.gz MGYXAKXXLBTLHX-YQQAZPJKSA-N 1 3 308.422 0.611 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000557199850 416728370 /nfs/dbraw/zinc/72/83/70/416728370.db2.gz MLYBCTYKFYIMLF-ZIAGYGMSSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057117 416730040 /nfs/dbraw/zinc/73/00/40/416730040.db2.gz FNXQZEQPBFVRKD-OLZOCXBDSA-N 1 3 310.442 0.160 20 0 DCADHO O=S(=O)(CCCN1CCCC1)NCCC1CC[NH2+]CC1 ZINC000631949057 416823892 /nfs/dbraw/zinc/82/38/92/416823892.db2.gz WVOQDVXKJBIHCE-UHFFFAOYSA-N 1 3 303.472 0.781 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631905246 416788375 /nfs/dbraw/zinc/78/83/75/416788375.db2.gz IRHVARQTVGIIQE-KBPBESRZSA-N 1 3 303.472 0.861 20 0 DCADHO CC[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)CC[C@H]1[NH3+] ZINC000631932333 416814056 /nfs/dbraw/zinc/81/40/56/416814056.db2.gz TXBOCGHTXKUOOZ-ZIAGYGMSSA-N 1 3 303.472 0.861 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000631943427 416821200 /nfs/dbraw/zinc/82/12/00/416821200.db2.gz WLEQXJJPAGCODT-KBPBESRZSA-N 1 3 303.472 0.874 20 0 DCADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369930275 416850194 /nfs/dbraw/zinc/85/01/94/416850194.db2.gz MBZLGEHZILQUTL-HUUCEWRRSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H](Nc1nc(N)nc(N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624090508 416958227 /nfs/dbraw/zinc/95/82/27/416958227.db2.gz ZBUPJLPMRWCAME-YPMHNXCESA-N 1 3 313.409 0.441 20 0 DCADHO C[C@@H](Nc1nc(N)nc(N)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624090508 416958233 /nfs/dbraw/zinc/95/82/33/416958233.db2.gz ZBUPJLPMRWCAME-YPMHNXCESA-N 1 3 313.409 0.441 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000565253458 416959729 /nfs/dbraw/zinc/95/97/29/416959729.db2.gz JMOSNRIORSSGFN-SOUVJXGZSA-N 1 3 324.469 0.467 20 0 DCADHO COCC1(CNC(=O)N2CCN(C)CC[C@@H]2C)CC[NH2+]CC1 ZINC000565294188 416962450 /nfs/dbraw/zinc/96/24/50/416962450.db2.gz GLRCDLGHTPZPSN-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO Cc1nc(C)n(C[C@@H]2CN(C[C@H]3CC[NH2+][C@@H](C)C3)CCO2)n1 ZINC000519349673 416902254 /nfs/dbraw/zinc/90/22/54/416902254.db2.gz RORNQBVPWOXPQY-RCBQFDQVSA-N 1 3 307.442 0.984 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000641565510 416926405 /nfs/dbraw/zinc/92/64/05/416926405.db2.gz BHPOWZNJOGFMCN-HUUCEWRRSA-N 1 3 311.474 0.406 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637078984 416975090 /nfs/dbraw/zinc/97/50/90/416975090.db2.gz QJBJNNYAHLZULX-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NCCCN1CCCC1=O ZINC000431022251 417100517 /nfs/dbraw/zinc/10/05/17/417100517.db2.gz MXGWSPUHRTYWQP-UHFFFAOYSA-N 1 3 322.453 0.191 20 0 DCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000430573603 417041211 /nfs/dbraw/zinc/04/12/11/417041211.db2.gz HCDFSDSRXXVKSQ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@](C)(C[NH3+])NCCOc1ccc(S(N)(=O)=O)cc1 ZINC000430574453 417041955 /nfs/dbraw/zinc/04/19/55/417041955.db2.gz SWSMBQHLMJZZEC-CQSZACIVSA-N 1 3 315.439 0.676 20 0 DCADHO CN(CCC(=O)NC(=O)NCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000430581665 417045372 /nfs/dbraw/zinc/04/53/72/417045372.db2.gz VBAAAOMHZKXFII-UHFFFAOYSA-N 1 3 312.336 0.681 20 0 DCADHO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC(C)(C)CN ZINC000430581665 417045376 /nfs/dbraw/zinc/04/53/76/417045376.db2.gz VBAAAOMHZKXFII-UHFFFAOYSA-N 1 3 312.336 0.681 20 0 DCADHO C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC(C)(C)CN ZINC000430581665 417045383 /nfs/dbraw/zinc/04/53/83/417045383.db2.gz VBAAAOMHZKXFII-UHFFFAOYSA-N 1 3 312.336 0.681 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000642439345 417052039 /nfs/dbraw/zinc/05/20/39/417052039.db2.gz BUNMBNKLEJWNKQ-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642439469 417052932 /nfs/dbraw/zinc/05/29/32/417052932.db2.gz IELNAUJIVAWQSK-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000642439557 417053181 /nfs/dbraw/zinc/05/31/81/417053181.db2.gz MAETUGNBTPXMOK-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000642440011 417054412 /nfs/dbraw/zinc/05/44/12/417054412.db2.gz VOOCSGIAXHAQFC-ZNMIVQPWSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000642439912 417055010 /nfs/dbraw/zinc/05/50/10/417055010.db2.gz ROLRHLPFDHQDCD-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000637265038 417055850 /nfs/dbraw/zinc/05/58/50/417055850.db2.gz OYHVPVNIKUKANX-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000637265038 417055852 /nfs/dbraw/zinc/05/58/52/417055852.db2.gz OYHVPVNIKUKANX-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO O=C(COC1C[NH2+]C1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430678386 417059295 /nfs/dbraw/zinc/05/92/95/417059295.db2.gz JADUWKQFBDBVFP-UHFFFAOYSA-N 1 3 319.405 0.570 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000430873298 417075576 /nfs/dbraw/zinc/07/55/76/417075576.db2.gz RBRRHKQUJBYUOU-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCN1 ZINC000642718116 417080832 /nfs/dbraw/zinc/08/08/32/417080832.db2.gz IHYFTZHZPPHQAL-GZBFAFLISA-N 1 3 322.453 0.184 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCN1 ZINC000642718116 417080837 /nfs/dbraw/zinc/08/08/37/417080837.db2.gz IHYFTZHZPPHQAL-GZBFAFLISA-N 1 3 322.453 0.184 20 0 DCADHO C[NH2+]CC1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000430929104 417082665 /nfs/dbraw/zinc/08/26/65/417082665.db2.gz WBANYNSNOAHFSE-UHFFFAOYSA-N 1 3 308.470 0.661 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642733349 417085218 /nfs/dbraw/zinc/08/52/18/417085218.db2.gz GEYQXSOSXJPTAC-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000642731707 417085316 /nfs/dbraw/zinc/08/53/16/417085316.db2.gz OQFCYSZDPLPBOW-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642732147 417085759 /nfs/dbraw/zinc/08/57/59/417085759.db2.gz HOSFNYDYQDYTDT-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C(C)(C)C[NH3+])c1 ZINC000431061796 417103673 /nfs/dbraw/zinc/10/36/73/417103673.db2.gz YBUBXBDSOOIJEH-UHFFFAOYSA-N 1 3 320.437 0.579 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642773418 417093750 /nfs/dbraw/zinc/09/37/50/417093750.db2.gz XBKBWJUWMVWUHW-ZNMIVQPWSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642809755 417107706 /nfs/dbraw/zinc/10/77/06/417107706.db2.gz LCTJHUUUYKVVEI-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)[NH3+])c1 ZINC000642908415 417116946 /nfs/dbraw/zinc/11/69/46/417116946.db2.gz RCEZSBLSFCXOHQ-CQSZACIVSA-N 1 3 320.437 0.349 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000642906295 417117694 /nfs/dbraw/zinc/11/76/94/417117694.db2.gz FXAYZBRVXQQPEJ-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000637455662 417119183 /nfs/dbraw/zinc/11/91/83/417119183.db2.gz MWMYGDLSVLDTQN-XQLPTFJDSA-N 1 3 314.474 0.933 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000642948668 417128957 /nfs/dbraw/zinc/12/89/57/417128957.db2.gz ASUXDZBJKQMYHI-KBXIAJHMSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000642921181 417126883 /nfs/dbraw/zinc/12/68/83/417126883.db2.gz GAHIWVFPNOSHKU-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO COC(=O)COC[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449303475 417135701 /nfs/dbraw/zinc/13/57/01/417135701.db2.gz MOSBUPYZMIQVSV-ZDUSSCGKSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000642983380 417139489 /nfs/dbraw/zinc/13/94/89/417139489.db2.gz APVWROABWKFGTM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC1CC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000449521211 417149170 /nfs/dbraw/zinc/14/91/70/417149170.db2.gz RDEMHVJVLISJKI-MWLCHTKSSA-N 1 3 308.348 0.079 20 0 DCADHO C[NH2+]C1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000637837104 417203143 /nfs/dbraw/zinc/20/31/43/417203143.db2.gz CAICKAMSDDKTSD-MRXNPFEDSA-N 1 3 304.438 0.656 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000643470938 417216524 /nfs/dbraw/zinc/21/65/24/417216524.db2.gz OGGJZRBGRYQCFS-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643482945 417222683 /nfs/dbraw/zinc/22/26/83/417222683.db2.gz FVWUSUHEOPBDHM-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1=O ZINC000449685210 417164104 /nfs/dbraw/zinc/16/41/04/417164104.db2.gz UEHCJHSYTYYBHO-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000449695054 417165308 /nfs/dbraw/zinc/16/53/08/417165308.db2.gz IBJQZDJVVQAHHP-KRWDZBQOSA-N 1 3 316.449 0.916 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)N(C)CCN(C)C)CCCO1 ZINC000433451289 417272464 /nfs/dbraw/zinc/27/24/64/417272464.db2.gz BPBAUQQHRHSOSQ-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)N(C)CCN(C)C)CCCO1 ZINC000433451289 417272470 /nfs/dbraw/zinc/27/24/70/417272470.db2.gz BPBAUQQHRHSOSQ-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000414696610 417294877 /nfs/dbraw/zinc/29/48/77/417294877.db2.gz BAWVKCPMPSCMBD-OWCLPIDISA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1C[C@H](CN2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000414690007 417295426 /nfs/dbraw/zinc/29/54/26/417295426.db2.gz HEKPRDRYHXBEKM-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000643571245 417248434 /nfs/dbraw/zinc/24/84/34/417248434.db2.gz ZWYBWMVEXAVRIA-CABCVRRESA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)[C@H]1C[NH3+] ZINC000643593273 417251603 /nfs/dbraw/zinc/25/16/03/417251603.db2.gz WBYSUUZSYZDFPA-KFWWJZLASA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)N(C)C1CC1 ZINC000433382236 417260745 /nfs/dbraw/zinc/26/07/45/417260745.db2.gz CTIPWTGGMUZPOM-AAEUAGOBSA-N 1 3 306.414 0.415 20 0 DCADHO CC[NH2+][C@H](C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000638139412 417353214 /nfs/dbraw/zinc/35/32/14/417353214.db2.gz DIUGKMCPMJJJCP-OAHLLOKOSA-N 1 3 319.453 0.708 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000638156495 417355484 /nfs/dbraw/zinc/35/54/84/417355484.db2.gz IEPMOVSXMIHVAP-KGLIPLIRSA-N 1 3 301.431 0.167 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334247 417356529 /nfs/dbraw/zinc/35/65/29/417356529.db2.gz KTQMYTWOLURCOR-HNNXBMFYSA-N 1 3 324.469 0.707 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000627334247 417356535 /nfs/dbraw/zinc/35/65/35/417356535.db2.gz KTQMYTWOLURCOR-HNNXBMFYSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638170904 417361743 /nfs/dbraw/zinc/36/17/43/417361743.db2.gz IDOLMJRXKRJETR-SNVBAGLBSA-N 1 3 305.382 0.381 20 0 DCADHO COCCOc1ccc(CNCCN2CC[NH2+]CC2)cc1OC ZINC000414868504 417308795 /nfs/dbraw/zinc/30/87/95/417308795.db2.gz PXJZKDPALZFKHU-UHFFFAOYSA-N 1 3 323.437 0.715 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)cc1 ZINC000414876167 417309230 /nfs/dbraw/zinc/30/92/30/417309230.db2.gz KFNBOJHXXHWGMX-OAHLLOKOSA-N 1 3 318.421 0.801 20 0 DCADHO CC(C)N1CCc2nc(CNCCN3CC[NH2+]CC3)sc2C1 ZINC000414874099 417309943 /nfs/dbraw/zinc/30/99/43/417309943.db2.gz YJLUITXXZIQPNK-UHFFFAOYSA-N 1 3 323.510 0.904 20 0 DCADHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CNCCO2)c1 ZINC000414891210 417314471 /nfs/dbraw/zinc/31/44/71/417314471.db2.gz VPWJONAZTGNLSE-OAHLLOKOSA-N 1 3 322.409 0.737 20 0 DCADHO C[C@@H](CC(=O)N(C)C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414985010 417320213 /nfs/dbraw/zinc/32/02/13/417320213.db2.gz MPGWUFLLGPDQIT-WDEREUQCSA-N 1 3 310.364 0.279 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000415089659 417328115 /nfs/dbraw/zinc/32/81/15/417328115.db2.gz ZDBXHFLIIZOKFD-ZFWWWQNUSA-N 1 3 303.406 0.777 20 0 DCADHO CCS(=O)(=O)NCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415077739 417328272 /nfs/dbraw/zinc/32/82/72/417328272.db2.gz HZHUONLMNOJJDH-MGPQQGTHSA-N 1 3 303.472 0.826 20 0 DCADHO Cc1ccc(NC(=O)CN2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000638119279 417336737 /nfs/dbraw/zinc/33/67/37/417336737.db2.gz NTFJNXXZDJUYHS-UHFFFAOYSA-N 1 3 320.437 0.779 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000570321536 417337881 /nfs/dbraw/zinc/33/78/81/417337881.db2.gz SFTCBOQMHXROKI-OWCLPIDISA-N 1 3 303.406 0.741 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000415220072 417343140 /nfs/dbraw/zinc/34/31/40/417343140.db2.gz UIAQZYXOMKGPLU-QWHCGFSZSA-N 1 3 308.430 1.084 20 0 DCADHO C[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](C[NH3+])C1 ZINC000415225455 417343993 /nfs/dbraw/zinc/34/39/93/417343993.db2.gz ZXOGPDYYSFQCFO-CHWSQXEVSA-N 1 3 308.430 1.036 20 0 DCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638127887 417345467 /nfs/dbraw/zinc/34/54/67/417345467.db2.gz ZXOQCYVGMXXZTH-QGZVFWFLSA-N 1 3 316.449 0.625 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638339479 417427810 /nfs/dbraw/zinc/42/78/10/417427810.db2.gz BFHKCGCMBMFVAQ-OIISXLGYSA-N 1 3 318.465 0.889 20 0 DCADHO CC[C@H]1CN(C(=O)CCN(C)CCOCCOC)CC[C@@H]1[NH3+] ZINC000638204975 417372572 /nfs/dbraw/zinc/37/25/72/417372572.db2.gz SJBUHRWOJYWPRF-GJZGRUSLSA-N 1 3 315.458 0.557 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415372818 417376468 /nfs/dbraw/zinc/37/64/68/417376468.db2.gz GVYQJIVFUYXIHO-CQSZACIVSA-N 1 3 318.421 0.597 20 0 DCADHO C[C@@H](C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1)[C@H](C)[NH3+] ZINC000638527792 417481536 /nfs/dbraw/zinc/48/15/36/417481536.db2.gz YNSMGPBRIGPQNF-NEPJUHHUSA-N 1 3 306.410 0.900 20 0 DCADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638527794 417482065 /nfs/dbraw/zinc/48/20/65/417482065.db2.gz YNSMGPBRIGPQNF-RYUDHWBXSA-N 1 3 306.410 0.900 20 0 DCADHO N[C@H](CC1CCCCC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000638754437 417549828 /nfs/dbraw/zinc/54/98/28/417549828.db2.gz ZNZHXIFLLIQLOI-LSDHHAIUSA-N 1 3 320.441 0.726 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1(C[NH3+])CCOCC1 ZINC000638633323 417520070 /nfs/dbraw/zinc/52/00/70/417520070.db2.gz ZWZBJNQTOHIOHW-OAHLLOKOSA-N 1 3 320.437 0.070 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000576120342 417582606 /nfs/dbraw/zinc/58/26/06/417582606.db2.gz CNFZKUNVZRQOLR-PBHICJAKSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000576120342 417582611 /nfs/dbraw/zinc/58/26/11/417582611.db2.gz CNFZKUNVZRQOLR-PBHICJAKSA-N 1 3 309.454 0.824 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000454872212 417583358 /nfs/dbraw/zinc/58/33/58/417583358.db2.gz ZHCZRPJTPBIDLP-AWEZNQCLSA-N 1 3 322.457 1.441 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000454872212 417583363 /nfs/dbraw/zinc/58/33/63/417583363.db2.gz ZHCZRPJTPBIDLP-AWEZNQCLSA-N 1 3 322.457 1.441 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cc(N3CCNCC3)ccn2)C1 ZINC000638987085 417598867 /nfs/dbraw/zinc/59/88/67/417598867.db2.gz KPGFAVKBGDTSOQ-CHWSQXEVSA-N 1 3 303.410 0.947 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000639020433 417606887 /nfs/dbraw/zinc/60/68/87/417606887.db2.gz FRDXBKMCAGDFAF-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)C(=O)NCCN(C)C ZINC000638819194 417563778 /nfs/dbraw/zinc/56/37/78/417563778.db2.gz WYYHMBXWNYGKAY-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638833285 417563830 /nfs/dbraw/zinc/56/38/30/417563830.db2.gz UHZFLVCFGXMOPT-HNNXBMFYSA-N 1 3 315.458 0.701 20 0 DCADHO CC(C)OCCN1CCC([NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000644582043 417624328 /nfs/dbraw/zinc/62/43/28/417624328.db2.gz SQDVEPUUURCQAE-QGZVFWFLSA-N 1 3 313.486 0.921 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000576729725 417632425 /nfs/dbraw/zinc/63/24/25/417632425.db2.gz RGDMMWLJHQKYJY-GJZGRUSLSA-N 1 3 311.474 0.391 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000576729725 417632428 /nfs/dbraw/zinc/63/24/28/417632428.db2.gz RGDMMWLJHQKYJY-GJZGRUSLSA-N 1 3 311.474 0.391 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000576715333 417632851 /nfs/dbraw/zinc/63/28/51/417632851.db2.gz KJZIBVMMKWJKNP-UKRRQHHQSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000576715333 417632857 /nfs/dbraw/zinc/63/28/57/417632857.db2.gz KJZIBVMMKWJKNP-UKRRQHHQSA-N 1 3 305.426 0.801 20 0 DCADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC000531832237 417643293 /nfs/dbraw/zinc/64/32/93/417643293.db2.gz DVUWOXURLJWTPQ-JKSUJKDBSA-N 1 3 308.470 0.708 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000531879815 417645564 /nfs/dbraw/zinc/64/55/64/417645564.db2.gz DYKHUUWSBUDCRX-AWEZNQCLSA-N 1 3 324.469 0.758 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000635485737 417676889 /nfs/dbraw/zinc/67/68/89/417676889.db2.gz DWUZRWVCOVIJTN-CQSZACIVSA-N 1 3 322.453 0.269 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCCN(C)C1=O ZINC000635502297 417680500 /nfs/dbraw/zinc/68/05/00/417680500.db2.gz CPYAHYNJOVECKB-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO COCCOC[C@@H](O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684351 417716132 /nfs/dbraw/zinc/71/61/32/417716132.db2.gz UCOQGIGTVHTQJS-INIZCTEOSA-N 1 3 309.410 0.618 20 0 DCADHO CC[C@@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000645228965 417717579 /nfs/dbraw/zinc/71/75/79/417717579.db2.gz ALGJVYNBBCNIDA-OAHLLOKOSA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000662621491 417824519 /nfs/dbraw/zinc/82/45/19/417824519.db2.gz IBNCUOFCKXTZLF-CHWSQXEVSA-N 1 3 320.441 0.805 20 0 DCADHO Cc1c(C(=O)N2CCN[C@@H](C(C)C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662515953 417790087 /nfs/dbraw/zinc/79/00/87/417790087.db2.gz WCABSAMRQGRGLG-QWHCGFSZSA-N 1 3 306.414 0.191 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC000635915713 417793593 /nfs/dbraw/zinc/79/35/93/417793593.db2.gz YYCXDTQOFHNKPY-OAHLLOKOSA-N 1 3 309.454 0.825 20 0 DCADHO COC1CCN(CCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000646181118 417798925 /nfs/dbraw/zinc/79/89/25/417798925.db2.gz XQRUPWTUBJOEJV-JKSUJKDBSA-N 1 3 309.454 0.849 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C1 ZINC000640267448 417808201 /nfs/dbraw/zinc/80/82/01/417808201.db2.gz BBCYMMZUSQWNJS-HUUCEWRRSA-N 1 3 309.458 0.145 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000635961461 417815675 /nfs/dbraw/zinc/81/56/75/417815675.db2.gz QTTOBINSBIMTGN-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000635961461 417815681 /nfs/dbraw/zinc/81/56/81/417815681.db2.gz QTTOBINSBIMTGN-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662684881 417850525 /nfs/dbraw/zinc/85/05/25/417850525.db2.gz KZGBZKFSWCCORB-QRTARXTBSA-N 1 3 317.389 0.522 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000646455745 417851997 /nfs/dbraw/zinc/85/19/97/417851997.db2.gz GDKDFYHAXPLPDY-INIZCTEOSA-N 1 3 306.454 0.319 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)C2)CC1 ZINC000646455745 417852000 /nfs/dbraw/zinc/85/20/00/417852000.db2.gz GDKDFYHAXPLPDY-INIZCTEOSA-N 1 3 306.454 0.319 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662694457 417855016 /nfs/dbraw/zinc/85/50/16/417855016.db2.gz QNWKJUYUPLHNLX-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO COCC[NH+]1CCC(NC(=O)c2cc(C(C)(C)N)no2)CC1 ZINC000662694610 417855507 /nfs/dbraw/zinc/85/55/07/417855507.db2.gz YEHXKUWWFDUDSY-UHFFFAOYSA-N 1 3 310.398 0.709 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662699551 417858827 /nfs/dbraw/zinc/85/88/27/417858827.db2.gz CCFCVNSFWGZKJU-ZIAGYGMSSA-N 1 3 320.441 0.664 20 0 DCADHO CN(C)CCOCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646498014 417858913 /nfs/dbraw/zinc/85/89/13/417858913.db2.gz COOPSEBUPVBUPC-AWEZNQCLSA-N 1 3 309.414 0.116 20 0 DCADHO CN(C)CCn1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000662704823 417860634 /nfs/dbraw/zinc/86/06/34/417860634.db2.gz KUXFGMPDNXRGJB-LBPRGKRZSA-N 1 3 319.331 0.925 20 0 DCADHO C[C@@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)N(C)C ZINC000652197900 417860884 /nfs/dbraw/zinc/86/08/84/417860884.db2.gz PEANGUROTRHACZ-AJNGGQMLSA-N 1 3 312.458 0.864 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662710829 417866292 /nfs/dbraw/zinc/86/62/92/417866292.db2.gz ZGNMGVMELUKVFT-IRXDYDNUSA-N 1 3 317.433 0.926 20 0 DCADHO CN(C(=O)c1cnnn1C1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1 ZINC000662720229 417871720 /nfs/dbraw/zinc/87/17/20/417871720.db2.gz WLDSQHBCQFKDSH-CQSZACIVSA-N 1 3 318.425 0.511 20 0 DCADHO C[C@@H]1NCCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@H]1C ZINC000662772870 417899076 /nfs/dbraw/zinc/89/90/76/417899076.db2.gz HKBGOIUSKSUMNW-RWMBFGLXSA-N 1 3 306.414 0.415 20 0 DCADHO [NH3+]CC[C@@H]([N-]C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(F)(F)F ZINC000662782504 417901640 /nfs/dbraw/zinc/90/16/40/417901640.db2.gz DUIVTVQQWPVDKW-HTRCEHHLSA-N 1 3 307.238 0.924 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662795233 417908096 /nfs/dbraw/zinc/90/80/96/417908096.db2.gz XSDXCQZMXCHFDI-SIXLDLHFSA-N 1 3 317.433 0.987 20 0 DCADHO C[NH2+][C@@H](C)C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663018635 417977417 /nfs/dbraw/zinc/97/74/17/417977417.db2.gz XRJSCIBNJWWDTO-STQMWFEESA-N 1 3 320.441 0.133 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055003 417978265 /nfs/dbraw/zinc/97/82/65/417978265.db2.gz HJXNILJBXJAFAL-SFDCBXKLSA-N 1 3 307.438 0.777 20 0 DCADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662813488 417915227 /nfs/dbraw/zinc/91/52/27/417915227.db2.gz JKKFJWNFJRRNAV-QWHCGFSZSA-N 1 3 306.414 0.288 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000652490960 417919163 /nfs/dbraw/zinc/91/91/63/417919163.db2.gz JWKKVUJQBQYSOP-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000652490960 417919167 /nfs/dbraw/zinc/91/91/67/417919167.db2.gz JWKKVUJQBQYSOP-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662859255 417929502 /nfs/dbraw/zinc/92/95/02/417929502.db2.gz MCKFWKHUDDKLSF-VQHPVUNQSA-N 1 3 315.417 0.620 20 0 DCADHO C[C@@H](Cn1cncn1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000658033639 417931319 /nfs/dbraw/zinc/93/13/19/417931319.db2.gz GQZXIJAMZBYLFN-HNNXBMFYSA-N 1 3 322.457 0.053 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000652606935 417931639 /nfs/dbraw/zinc/93/16/39/417931639.db2.gz BUJJCMWAZJMWMR-UHFFFAOYSA-N 1 3 308.430 0.956 20 0 DCADHO C[C@H]1CCN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000652612600 417932467 /nfs/dbraw/zinc/93/24/67/417932467.db2.gz WWHRRZGAWXEBKH-STQMWFEESA-N 1 3 308.430 0.893 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)CCN1C ZINC000652671592 417940512 /nfs/dbraw/zinc/94/05/12/417940512.db2.gz IKQUPMMLAPPNKN-JSGCOSHPSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000662915106 417949148 /nfs/dbraw/zinc/94/91/48/417949148.db2.gz JKHGGLFAOKUMLS-STQMWFEESA-N 1 3 317.380 0.601 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NCCC2(C[NH3+])CC2)CCC1 ZINC000652714595 417954834 /nfs/dbraw/zinc/95/48/34/417954834.db2.gz NQXFPQQEQZVEBE-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@H]1[NH3+] ZINC000652731460 417958196 /nfs/dbraw/zinc/95/81/96/417958196.db2.gz LFXFDMHAJJZPCS-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO [NH3+]CCCCc1cn(CC(=O)NC2CCN(C3CC3)CC2)nn1 ZINC000641005953 417959021 /nfs/dbraw/zinc/95/90/21/417959021.db2.gz ZPKXJEJYJPZRFC-UHFFFAOYSA-N 1 3 320.441 0.303 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662939311 417959059 /nfs/dbraw/zinc/95/90/59/417959059.db2.gz UFUWSBZNTGXOPZ-UUCFBXCCSA-N 1 3 322.453 0.269 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662939311 417959062 /nfs/dbraw/zinc/95/90/62/417959062.db2.gz UFUWSBZNTGXOPZ-UUCFBXCCSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652733018 417959646 /nfs/dbraw/zinc/95/96/46/417959646.db2.gz ZAYJFPZCEJMNRC-CABCVRRESA-N 1 3 324.469 0.659 20 0 DCADHO C(CN1CCC(NCC23CC(C2)C[NH2+]3)CC1)N1CCOCC1 ZINC000663499679 418026955 /nfs/dbraw/zinc/02/69/55/418026955.db2.gz ZYCDWCIUCNXOSQ-UHFFFAOYSA-N 1 3 308.470 0.125 20 0 DCADHO CC1(OCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CNC1 ZINC000653260664 418049316 /nfs/dbraw/zinc/04/93/16/418049316.db2.gz JJJQMWYEZVLWPV-MJBXVCDLSA-N 1 3 311.426 0.252 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)c2ccccc2O1 ZINC000653124430 418032485 /nfs/dbraw/zinc/03/24/85/418032485.db2.gz YNUMEICVERROAA-UONOGXRCSA-N 1 3 320.437 0.621 20 0 DCADHO C[C@H](CCNC(=O)NC1CCN(CCN(C)C)CC1)[NH+](C)C ZINC000663578543 418034798 /nfs/dbraw/zinc/03/47/98/418034798.db2.gz FJGGVCUVWUWJOA-CQSZACIVSA-N 1 3 313.490 0.652 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@H](CN)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000653247926 418047243 /nfs/dbraw/zinc/04/72/43/418047243.db2.gz YFTXQFDYLNGKFO-BPLDGKMQSA-N 1 3 309.385 0.690 20 0 DCADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000648158276 418110273 /nfs/dbraw/zinc/11/02/73/418110273.db2.gz VKOKGSSUEXWLLP-LSDHHAIUSA-N 1 3 304.394 0.137 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659526313 418111681 /nfs/dbraw/zinc/11/16/81/418111681.db2.gz NPWQRPGTSRMJJR-CJNGLKHVSA-N 1 3 320.437 0.647 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000659538108 418114213 /nfs/dbraw/zinc/11/42/13/418114213.db2.gz VQWOOFLCKNWRRT-ZFWWWQNUSA-N 1 3 310.442 0.681 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000663775250 418056103 /nfs/dbraw/zinc/05/61/03/418056103.db2.gz FYHYWFJWXYOBPU-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000659244283 418072661 /nfs/dbraw/zinc/07/26/61/418072661.db2.gz SNJZVPMQWCVYSA-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3CNCCO3)cc21 ZINC000659323576 418082597 /nfs/dbraw/zinc/08/25/97/418082597.db2.gz XLYLNVXUQSEVMA-GJZGRUSLSA-N 1 3 303.406 0.783 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000659357770 418085953 /nfs/dbraw/zinc/08/59/53/418085953.db2.gz MGLJSBJJNIAKBD-OAHLLOKOSA-N 1 3 320.437 0.555 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CCO1 ZINC000664127514 418088747 /nfs/dbraw/zinc/08/87/47/418088747.db2.gz HVQRKDIMVRELMT-HOCLYGCPSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H]1O ZINC000664151993 418090454 /nfs/dbraw/zinc/09/04/54/418090454.db2.gz TVEWFDZSLDEBJJ-MELADBBJSA-N 1 3 314.474 0.669 20 0 DCADHO CCC[C@H]1CN(C[C@H](O)C[N@H+](C)CC)CCN1CCOC ZINC000653595113 418094045 /nfs/dbraw/zinc/09/40/45/418094045.db2.gz VTWWPVVDVBTFRU-JKSUJKDBSA-N 1 3 301.475 0.732 20 0 DCADHO CCC[C@H]1CN(C[C@H](O)C[N@@H+](C)CC)CCN1CCOC ZINC000653595113 418094048 /nfs/dbraw/zinc/09/40/48/418094048.db2.gz VTWWPVVDVBTFRU-JKSUJKDBSA-N 1 3 301.475 0.732 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659441128 418098090 /nfs/dbraw/zinc/09/80/90/418098090.db2.gz BJOCJWXVXSFGNB-NSHDSACASA-N 1 3 322.413 0.172 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659441128 418098093 /nfs/dbraw/zinc/09/80/93/418098093.db2.gz BJOCJWXVXSFGNB-NSHDSACASA-N 1 3 322.413 0.172 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NCCCCN1CCN(C)CC1 ZINC000659457721 418100764 /nfs/dbraw/zinc/10/07/64/418100764.db2.gz JJVCUOZAPBFVLA-OAHLLOKOSA-N 1 3 313.490 0.687 20 0 DCADHO C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)(C)C[NH+](C)C ZINC000659468093 418101500 /nfs/dbraw/zinc/10/15/00/418101500.db2.gz SPFYTKDFYOHSHX-SNVBAGLBSA-N 1 3 324.429 0.416 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N(C)CC(C)(C)[NH3+])CCCO1 ZINC000659486276 418105175 /nfs/dbraw/zinc/10/51/75/418105175.db2.gz CFOBJHOVEHCCBT-CYBMUJFWSA-N 1 3 300.447 0.866 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659506268 418106830 /nfs/dbraw/zinc/10/68/30/418106830.db2.gz NIHHGQANJAKABW-OAHLLOKOSA-N 1 3 310.442 0.681 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000659609034 418125794 /nfs/dbraw/zinc/12/57/94/418125794.db2.gz ICDULRGEEHAWOT-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000659648342 418136697 /nfs/dbraw/zinc/13/66/97/418136697.db2.gz RWLMLGMSPDZKGS-YOEHRIQHSA-N 1 3 320.437 0.531 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000659648340 418136715 /nfs/dbraw/zinc/13/67/15/418136715.db2.gz RWLMLGMSPDZKGS-RHSMWYFYSA-N 1 3 320.437 0.531 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659696567 418150453 /nfs/dbraw/zinc/15/04/53/418150453.db2.gz CTMJLQQIJINOGL-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000659698874 418151590 /nfs/dbraw/zinc/15/15/90/418151590.db2.gz RNHHSOWQNWJJAT-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000659698875 418151764 /nfs/dbraw/zinc/15/17/64/418151764.db2.gz RNHHSOWQNWJJAT-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000664767965 418152384 /nfs/dbraw/zinc/15/23/84/418152384.db2.gz YSPNWCGEYCJJJP-GJZGRUSLSA-N 1 3 310.442 0.177 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000648777146 418155899 /nfs/dbraw/zinc/15/58/99/418155899.db2.gz MYZFQZHLICZASD-NVXWUHKLSA-N 1 3 322.497 0.813 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(CN3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000648777146 418155902 /nfs/dbraw/zinc/15/59/02/418155902.db2.gz MYZFQZHLICZASD-NVXWUHKLSA-N 1 3 322.497 0.813 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659709830 418156224 /nfs/dbraw/zinc/15/62/24/418156224.db2.gz JCWXUHKXRXGINS-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000659712883 418158107 /nfs/dbraw/zinc/15/81/07/418158107.db2.gz GTNAHQTURRPQCW-BPCQOVAHSA-N 1 3 310.442 0.362 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000659714935 418159228 /nfs/dbraw/zinc/15/92/28/418159228.db2.gz OFBNREIRUHCGIJ-XQQFMLRXSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659716845 418160516 /nfs/dbraw/zinc/16/05/16/418160516.db2.gz YGTUMSBKAFNELT-ZNMIVQPWSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCC[C@H](C)C1 ZINC000659734954 418169841 /nfs/dbraw/zinc/16/98/41/418169841.db2.gz WNGUVPJNPBHSIY-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000659735869 418169990 /nfs/dbraw/zinc/16/99/90/418169990.db2.gz KGPGUEUROIVJGP-CQSZACIVSA-N 1 3 322.453 0.459 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659737864 418171021 /nfs/dbraw/zinc/17/10/21/418171021.db2.gz WKTYTSXVANWOBK-ZDUSSCGKSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000659741047 418172369 /nfs/dbraw/zinc/17/23/69/418172369.db2.gz KCBOYTWOLCZIKI-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)c2ccccc2O1 ZINC000649347056 418245634 /nfs/dbraw/zinc/24/56/34/418245634.db2.gz CUPXCLAQQVXZGO-UONOGXRCSA-N 1 3 319.405 0.721 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000654795612 418188710 /nfs/dbraw/zinc/18/87/10/418188710.db2.gz QPQMUYGOOGECPG-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000654795612 418188714 /nfs/dbraw/zinc/18/87/14/418188714.db2.gz QPQMUYGOOGECPG-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649071702 418190492 /nfs/dbraw/zinc/19/04/92/418190492.db2.gz PMRWWQTVTWNPHX-QWHCGFSZSA-N 1 3 312.458 0.732 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)N1CCCCC1 ZINC000649271690 418217358 /nfs/dbraw/zinc/21/73/58/418217358.db2.gz SFZDWZFNGIVZDL-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](O)C1 ZINC000665637174 418228838 /nfs/dbraw/zinc/22/88/38/418228838.db2.gz WICURUKUKMEAMA-UONOGXRCSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](O)C1 ZINC000665637174 418228841 /nfs/dbraw/zinc/22/88/41/418228841.db2.gz WICURUKUKMEAMA-UONOGXRCSA-N 1 3 300.447 0.425 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000660701318 418282179 /nfs/dbraw/zinc/28/21/79/418282179.db2.gz QRTNQAKKVDDHRH-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000660701318 418282182 /nfs/dbraw/zinc/28/21/82/418282182.db2.gz QRTNQAKKVDDHRH-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+]1C[C@H](NC(=O)NC[C@H]2CCCN2CCCO)[C@@H](C)C1 ZINC000655671411 418287078 /nfs/dbraw/zinc/28/70/78/418287078.db2.gz OFKQKBSVOKOCCD-ZNMIVQPWSA-N 1 3 312.458 0.473 20 0 DCADHO CC[N@@H+]1C[C@H](NC(=O)NC[C@H]2CCCN2CCCO)[C@@H](C)C1 ZINC000655671411 418287081 /nfs/dbraw/zinc/28/70/81/418287081.db2.gz OFKQKBSVOKOCCD-ZNMIVQPWSA-N 1 3 312.458 0.473 20 0 DCADHO CN1CCN(CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655698301 418288295 /nfs/dbraw/zinc/28/82/95/418288295.db2.gz UFVITZYDGPQFAM-GOSISDBHSA-N 1 3 324.513 0.857 20 0 DCADHO CN(C)CCN1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655687187 418288701 /nfs/dbraw/zinc/28/87/01/418288701.db2.gz LPLMRXGFSARRDX-SFHVURJKSA-N 1 3 324.513 0.855 20 0 DCADHO CN1CCN(C)[C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655710920 418289814 /nfs/dbraw/zinc/28/98/14/418289814.db2.gz DDMKOSLPVFDARF-IAGOWNOFSA-N 1 3 310.486 0.465 20 0 DCADHO Cc1nn(C)c(N2CCOCC2)c1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827001 418293324 /nfs/dbraw/zinc/29/33/24/418293324.db2.gz MDCHJMWKYPHSPQ-GASCZTMLSA-N 1 3 321.469 0.995 20 0 DCADHO [NH3+]C[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000655911287 418299457 /nfs/dbraw/zinc/29/94/57/418299457.db2.gz CDQFGQWOTQDVKG-LLVKDONJSA-N 1 3 317.315 0.803 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655910080 418299522 /nfs/dbraw/zinc/29/95/22/418299522.db2.gz SHKXGNGBVPUVBB-UONOGXRCSA-N 1 3 317.393 0.010 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655910080 418299525 /nfs/dbraw/zinc/29/95/25/418299525.db2.gz SHKXGNGBVPUVBB-UONOGXRCSA-N 1 3 317.393 0.010 20 0 DCADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCN1CCCO)C(F)(F)F ZINC000655928147 418303091 /nfs/dbraw/zinc/30/30/91/418303091.db2.gz RQDDBWSQPBZYPO-NXEZZACHSA-N 1 3 312.336 0.022 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000655964523 418308012 /nfs/dbraw/zinc/30/80/12/418308012.db2.gz WQKUAVQJFSPREM-ZNMIVQPWSA-N 1 3 310.442 0.354 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656025879 418320589 /nfs/dbraw/zinc/32/05/89/418320589.db2.gz VLEBUENTYMRHIA-CBBWQLFWSA-N 1 3 322.453 0.234 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656025459 418320821 /nfs/dbraw/zinc/32/08/21/418320821.db2.gz KRZJYVSCEVUJOD-CABCVRRESA-N 1 3 320.437 0.155 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000656068419 418323902 /nfs/dbraw/zinc/32/39/02/418323902.db2.gz XUWLURLDNJEEBD-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO NC[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)C(F)(F)F ZINC000655516460 418271686 /nfs/dbraw/zinc/27/16/86/418271686.db2.gz VEIXCJLMEVCIAY-LBPRGKRZSA-N 1 3 301.312 0.994 20 0 DCADHO CN1CCN(C(=O)C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000656493223 418358406 /nfs/dbraw/zinc/35/84/06/418358406.db2.gz WIOYZJNPJFHNEB-UHFFFAOYSA-N 1 3 317.437 0.414 20 0 DCADHO CN1CCN(CCCC[N@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000661806377 418362038 /nfs/dbraw/zinc/36/20/38/418362038.db2.gz JMZPMJORJAAMGN-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO CN1CCN(CCCC[N@@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000661806377 418362041 /nfs/dbraw/zinc/36/20/41/418362041.db2.gz JMZPMJORJAAMGN-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO COCCN(C)CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662384171 418405206 /nfs/dbraw/zinc/40/52/06/418405206.db2.gz LFWZITGURUYZEK-LBPRGKRZSA-N 1 3 309.414 0.185 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332314617 287627311 /nfs/dbraw/zinc/62/73/11/287627311.db2.gz QCIZIHFFIFRQNG-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCOCC1 ZINC000354345616 261206220 /nfs/dbraw/zinc/20/62/20/261206220.db2.gz CULBONDEOOKQLJ-INIZCTEOSA-N 1 3 313.486 0.781 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000354646733 261250583 /nfs/dbraw/zinc/25/05/83/261250583.db2.gz ISZKPRLHCRIQJE-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000354646733 261250586 /nfs/dbraw/zinc/25/05/86/261250586.db2.gz ISZKPRLHCRIQJE-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354676808 261256935 /nfs/dbraw/zinc/25/69/35/261256935.db2.gz IKHNMUBBYVXOBP-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000354703384 261262462 /nfs/dbraw/zinc/26/24/62/261262462.db2.gz YZHONDMBINGETN-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000354782077 261271566 /nfs/dbraw/zinc/27/15/66/261271566.db2.gz FZMUXVKMXKZMON-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000354782077 261271567 /nfs/dbraw/zinc/27/15/67/261271567.db2.gz FZMUXVKMXKZMON-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355278211 261324574 /nfs/dbraw/zinc/32/45/74/261324574.db2.gz KJFHYYKITSOQBD-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000360124090 261794285 /nfs/dbraw/zinc/79/42/85/261794285.db2.gz JQWHOXAQGNLQTH-ZDUSSCGKSA-N 1 3 300.447 0.471 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000360124090 261794286 /nfs/dbraw/zinc/79/42/86/261794286.db2.gz JQWHOXAQGNLQTH-ZDUSSCGKSA-N 1 3 300.447 0.471 20 0 DCADHO CC(C)(CNC(=O)[C@@H]1CN2CCN1CCC2)C[NH+]1CCCC1 ZINC000361384506 261919290 /nfs/dbraw/zinc/91/92/90/261919290.db2.gz KWKFUHCGOZQHGQ-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@H](CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CC[NH2+]CC1 ZINC000361717738 261954339 /nfs/dbraw/zinc/95/43/39/261954339.db2.gz HTJMAQWRHSKTFZ-BMFZPTHFSA-N 1 3 309.454 0.992 20 0 DCADHO O=C(NCCCN1CCC(O)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362565095 262047157 /nfs/dbraw/zinc/04/71/57/262047157.db2.gz QVWFBIRFNOGNCE-LBPRGKRZSA-N 1 3 321.425 0.063 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)NCCCN(C)CCOC)C1 ZINC000417091385 262245897 /nfs/dbraw/zinc/24/58/97/262245897.db2.gz JRLANGCLYAHZNZ-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO [NH3+]CCN(CCO)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417121427 262246946 /nfs/dbraw/zinc/24/69/46/262246946.db2.gz WFXPAOJJTWSHKX-MRXNPFEDSA-N 1 3 320.437 0.614 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417752452 262260704 /nfs/dbraw/zinc/26/07/04/262260704.db2.gz MTLCCGNYPDDVNC-KBPBESRZSA-N 1 3 300.447 0.771 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417755703 262260811 /nfs/dbraw/zinc/26/08/11/262260811.db2.gz RBINDIXCWOTNBO-OAHLLOKOSA-N 1 3 308.426 0.954 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417755703 262260812 /nfs/dbraw/zinc/26/08/12/262260812.db2.gz RBINDIXCWOTNBO-OAHLLOKOSA-N 1 3 308.426 0.954 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCSC1 ZINC000417827025 262263066 /nfs/dbraw/zinc/26/30/66/262263066.db2.gz NOPLYLTVZJOAKY-YDHLFZDLSA-N 1 3 312.483 0.675 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000417839630 262263764 /nfs/dbraw/zinc/26/37/64/262263764.db2.gz RMIXACAQCXJOEL-NVXWUHKLSA-N 1 3 305.422 0.991 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCSC1 ZINC000417838150 262263855 /nfs/dbraw/zinc/26/38/55/262263855.db2.gz VWSDMESJJRFFKR-GUTXKFCHSA-N 1 3 312.483 0.817 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CC[NH2+]C2)ccn1 ZINC000417961679 262266213 /nfs/dbraw/zinc/26/62/13/262266213.db2.gz YVANAFVMEHOZPJ-ZDUSSCGKSA-N 1 3 307.398 0.183 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCN1C ZINC000417999897 262267720 /nfs/dbraw/zinc/26/77/20/262267720.db2.gz IYXJQITZRLDGBP-KFWWJZLASA-N 1 3 309.458 0.158 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418108618 262270067 /nfs/dbraw/zinc/27/00/67/262270067.db2.gz BBVZDPFWKNFORV-KGLIPLIRSA-N 1 3 300.447 0.642 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418190062 262272099 /nfs/dbraw/zinc/27/20/99/262272099.db2.gz IUVZBRRMDFANBW-CQSZACIVSA-N 1 3 321.425 0.655 20 0 DCADHO CC[NH2+]CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418314725 262274003 /nfs/dbraw/zinc/27/40/03/262274003.db2.gz FWGIDJCKIVTLOP-QGZVFWFLSA-N 1 3 320.437 0.532 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418416797 262276983 /nfs/dbraw/zinc/27/69/83/262276983.db2.gz WDSKMXNUBCINNU-DZGCQCFKSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418522530 262280813 /nfs/dbraw/zinc/28/08/13/262280813.db2.gz JJRANHNGFQENDB-ZDUSSCGKSA-N 1 3 313.446 0.015 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418745964 262286984 /nfs/dbraw/zinc/28/69/84/262286984.db2.gz WQQGHIGZTGNVAT-LXINESAQSA-N 1 3 324.469 0.648 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN1CCCO ZINC000418744585 262287028 /nfs/dbraw/zinc/28/70/28/262287028.db2.gz FHZZYUSZQMWLQX-LSDHHAIUSA-N 1 3 312.458 0.665 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(CCCO)C1 ZINC000418744508 262287209 /nfs/dbraw/zinc/28/72/09/262287209.db2.gz FBRTUBTUTKCVJY-LSDHHAIUSA-N 1 3 312.458 0.665 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418791788 262290030 /nfs/dbraw/zinc/29/00/30/262290030.db2.gz MZOXHIPSSGKCHH-QXSJWSMHSA-N 1 3 324.469 0.521 20 0 DCADHO C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H](CN)C2CC2)CCCC1 ZINC000418796603 262290414 /nfs/dbraw/zinc/29/04/14/262290414.db2.gz FEVYXZHOQCUDEU-ZDUSSCGKSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000418863462 262294558 /nfs/dbraw/zinc/29/45/58/262294558.db2.gz IDBDTIHJFWNLRR-NFOMZHRRSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418972585 262301063 /nfs/dbraw/zinc/30/10/63/262301063.db2.gz ZCAHUFTWKGOOOV-HIFRSBDPSA-N 1 3 318.421 0.101 20 0 DCADHO C[N@H+](CCCCNC(=O)C(=O)N[C@H](CN)C1CCCC1)C1CC1 ZINC000419000377 262302786 /nfs/dbraw/zinc/30/27/86/262302786.db2.gz YDMVXWDBAGBBPG-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+](CCCCNC(=O)C(=O)N[C@H](CN)C1CCCC1)C1CC1 ZINC000419000377 262302787 /nfs/dbraw/zinc/30/27/87/262302787.db2.gz YDMVXWDBAGBBPG-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419019935 262305424 /nfs/dbraw/zinc/30/54/24/262305424.db2.gz FGSSDSCLSSHXHU-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419080681 262307331 /nfs/dbraw/zinc/30/73/31/262307331.db2.gz PYONBCQNNAKUJM-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419125701 262310941 /nfs/dbraw/zinc/31/09/41/262310941.db2.gz UOHDYYASXVZVGT-KFWWJZLASA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000419154655 262314026 /nfs/dbraw/zinc/31/40/26/262314026.db2.gz QGDKWXSTBZKCCB-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000419154655 262314027 /nfs/dbraw/zinc/31/40/27/262314027.db2.gz QGDKWXSTBZKCCB-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCC(C)CC1 ZINC000419164062 262315344 /nfs/dbraw/zinc/31/53/44/262315344.db2.gz YCJPQOJSPBUKNI-JSGCOSHPSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCC(C)CC1 ZINC000419164064 262315405 /nfs/dbraw/zinc/31/54/05/262315405.db2.gz YCJPQOJSPBUKNI-TZMCWYRMSA-N 1 3 310.442 0.077 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419174385 262317400 /nfs/dbraw/zinc/31/74/00/262317400.db2.gz VNCRYBFVSHDHBL-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000419176416 262317485 /nfs/dbraw/zinc/31/74/85/262317485.db2.gz ZBQDTHQMLXMAHN-NFOMZHRRSA-N 1 3 324.469 0.609 20 0 DCADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)C1CC1 ZINC000419231155 262321553 /nfs/dbraw/zinc/32/15/53/262321553.db2.gz REMAGZKKLWRECD-GJZGRUSLSA-N 1 3 322.453 0.221 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419283758 262324287 /nfs/dbraw/zinc/32/42/87/262324287.db2.gz KELHZUYNYBWUCJ-KKUMJFAQSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419406348 262330272 /nfs/dbraw/zinc/33/02/72/262330272.db2.gz IPIOAPULDPVRHJ-ILXRZTDVSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@H+](CCCNC(=O)C(=O)N[C@@H](CN)C1CC1)C1CCCCC1 ZINC000419410968 262331350 /nfs/dbraw/zinc/33/13/50/262331350.db2.gz PHGDAIHRKQPHAK-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+](CCCNC(=O)C(=O)N[C@@H](CN)C1CC1)C1CCCCC1 ZINC000419410968 262331351 /nfs/dbraw/zinc/33/13/51/262331351.db2.gz PHGDAIHRKQPHAK-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419425895 262333231 /nfs/dbraw/zinc/33/32/31/262333231.db2.gz QGASVDPYSRJRPB-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419480914 262334002 /nfs/dbraw/zinc/33/40/02/262334002.db2.gz NYVFRFYPDUTNEI-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419480914 262334004 /nfs/dbraw/zinc/33/40/04/262334004.db2.gz NYVFRFYPDUTNEI-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N(C)C1CC1 ZINC000419590838 262338802 /nfs/dbraw/zinc/33/88/02/262338802.db2.gz QOSJVEAZDUOXLR-LBPRGKRZSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)[N@H+](C)C1CC1 ZINC000419588461 262339049 /nfs/dbraw/zinc/33/90/49/262339049.db2.gz OGSZMKJCYUZLDN-DOMZBBRYSA-N 1 3 318.421 0.402 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000419588461 262339051 /nfs/dbraw/zinc/33/90/51/262339051.db2.gz OGSZMKJCYUZLDN-DOMZBBRYSA-N 1 3 318.421 0.402 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419592596 262339518 /nfs/dbraw/zinc/33/95/18/262339518.db2.gz SJKMPLHTNCZQIV-HZSPNIEDSA-N 1 3 310.442 0.363 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419595802 262339577 /nfs/dbraw/zinc/33/95/77/262339577.db2.gz XFVJVVODUQTBGD-CJNGLKHVSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)N[C@H](CN)C1CCCC1)C1CCCC1 ZINC000419699210 262347612 /nfs/dbraw/zinc/34/76/12/262347612.db2.gz VSBCJIJETJUGFT-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)N[C@H](CN)C1CCCC1)C1CCCC1 ZINC000419699210 262347614 /nfs/dbraw/zinc/34/76/14/262347614.db2.gz VSBCJIJETJUGFT-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419698502 262347645 /nfs/dbraw/zinc/34/76/45/262347645.db2.gz TVRRXQKQNQUWBP-OCCSQVGLSA-N 1 3 308.426 0.069 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419915351 262352518 /nfs/dbraw/zinc/35/25/18/262352518.db2.gz PBHRRTRCWHGHOA-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419963087 262353834 /nfs/dbraw/zinc/35/38/34/262353834.db2.gz YNMZJSSUIFATLP-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419990467 262356114 /nfs/dbraw/zinc/35/61/14/262356114.db2.gz GAWDYCMLGSPFPX-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420079411 262360113 /nfs/dbraw/zinc/36/01/13/262360113.db2.gz HWWDBLOJNVEELP-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC000420284938 262369228 /nfs/dbraw/zinc/36/92/28/262369228.db2.gz DENZGUFZFJMMSB-ZBFHGGJFSA-N 1 3 304.438 0.699 20 0 DCADHO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCNCC1 ZINC000420369859 262372189 /nfs/dbraw/zinc/37/21/89/262372189.db2.gz JDFDFJIDFDJFLC-DOTOQJQBSA-N 1 3 320.481 0.757 20 0 DCADHO O=C(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCNCC1 ZINC000420369859 262372191 /nfs/dbraw/zinc/37/21/91/262372191.db2.gz JDFDFJIDFDJFLC-DOTOQJQBSA-N 1 3 320.481 0.757 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)C[NH+]1CCCC1 ZINC000422083234 262395110 /nfs/dbraw/zinc/39/51/10/262395110.db2.gz HOZDNXSIPYQMNI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)[C@@H]1C[NH3+] ZINC000423725647 262457291 /nfs/dbraw/zinc/45/72/91/262457291.db2.gz HXUZXPNDCORDJH-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCOCCN(C)C ZINC000355355410 271005325 /nfs/dbraw/zinc/00/53/25/271005325.db2.gz SQIJYYIQDGZUKW-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000357105270 271043381 /nfs/dbraw/zinc/04/33/81/271043381.db2.gz NSFSALOPWZLMDL-KGLIPLIRSA-N 1 3 306.454 0.271 20 0 DCADHO COCC[NH2+]CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000418506943 271247923 /nfs/dbraw/zinc/24/79/23/271247923.db2.gz JSZQVIFIPWKHHP-RRFJBIMHSA-N 1 3 312.458 0.594 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418713823 271250157 /nfs/dbraw/zinc/25/01/57/271250157.db2.gz HNEPJLUKLDWPJL-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000418727080 271251335 /nfs/dbraw/zinc/25/13/35/271251335.db2.gz PXXZANIAMWEXJJ-KFWWJZLASA-N 1 3 312.458 0.650 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418721553 271252041 /nfs/dbraw/zinc/25/20/41/271252041.db2.gz MIWTWKFCDYEXKT-KBUPBQIOSA-N 1 3 312.458 0.600 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]2CN)CCCCCC1 ZINC000418903882 271261436 /nfs/dbraw/zinc/26/14/36/271261436.db2.gz SIPQCOWGNQLMJL-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419025613 271265866 /nfs/dbraw/zinc/26/58/66/271265866.db2.gz MJINADGBWIUCKT-MGPQQGTHSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419032501 271268173 /nfs/dbraw/zinc/26/81/73/271268173.db2.gz WVLOZFMFIDBYNC-CKEIUWERSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419032886 271269035 /nfs/dbraw/zinc/26/90/35/271269035.db2.gz XNZYGJMOEFKOMC-MCIONIFRSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419043985 271269835 /nfs/dbraw/zinc/26/98/35/271269835.db2.gz KTMGWEDCQMPMBB-JSGCOSHPSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N1CCC(C)CC1 ZINC000419141139 271275401 /nfs/dbraw/zinc/27/54/01/271275401.db2.gz ARTWQAKFNHHDKQ-RHSMWYFYSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419265081 271279509 /nfs/dbraw/zinc/27/95/09/271279509.db2.gz CVCMZJTZVWZWLC-CYBMUJFWSA-N 1 3 318.421 0.362 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419530430 271298295 /nfs/dbraw/zinc/29/82/95/271298295.db2.gz ZHUPUNJROKZIQK-CZUORRHYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419653831 271317159 /nfs/dbraw/zinc/31/71/59/271317159.db2.gz RLJGNPOPOGKZGN-OLZOCXBDSA-N 1 3 320.437 0.695 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H](CN)C1CC1)C[NH+]1CCCC1 ZINC000419671755 271320793 /nfs/dbraw/zinc/32/07/93/271320793.db2.gz YTUHCUCURZEYPH-ZDUSSCGKSA-N 1 3 310.442 0.078 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419703839 271322370 /nfs/dbraw/zinc/32/23/70/271322370.db2.gz WWFJLZDHRGXTOT-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419703210 271322521 /nfs/dbraw/zinc/32/25/21/271322521.db2.gz VXTBAHHINDBPLB-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419815509 271328422 /nfs/dbraw/zinc/32/84/22/271328422.db2.gz JXHBVPMJJOECCV-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419815509 271328425 /nfs/dbraw/zinc/32/84/25/271328425.db2.gz JXHBVPMJJOECCV-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419862980 271336254 /nfs/dbraw/zinc/33/62/54/271336254.db2.gz DIBCDIUANANONE-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000419885924 271337064 /nfs/dbraw/zinc/33/70/64/271337064.db2.gz ZJLWWQVRAIDNKK-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000419893588 271338254 /nfs/dbraw/zinc/33/82/54/271338254.db2.gz MMGYLODMYJZUEP-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419888114 271338542 /nfs/dbraw/zinc/33/85/42/271338542.db2.gz QWIOUEMOCUXQKA-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419947383 271348008 /nfs/dbraw/zinc/34/80/08/271348008.db2.gz CKEMHVUSCGNSPP-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419947383 271348011 /nfs/dbraw/zinc/34/80/11/271348011.db2.gz CKEMHVUSCGNSPP-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419951319 271348990 /nfs/dbraw/zinc/34/89/90/271348990.db2.gz NEXDAZJQMNFDEG-HZSPNIEDSA-N 1 3 312.458 0.195 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420150932 271360999 /nfs/dbraw/zinc/36/09/99/271360999.db2.gz ATBBOAPSCRPCCM-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420168240 271362510 /nfs/dbraw/zinc/36/25/10/271362510.db2.gz KVGPYDNWUTZSCO-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](C[C@H](C)N)[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422827226 271386884 /nfs/dbraw/zinc/38/68/84/271386884.db2.gz MTUQZXDXEIQICU-LSDHHAIUSA-N 1 3 306.458 0.704 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NCCCN1CCN(c2ncccn2)CC1 ZINC000422827226 271386889 /nfs/dbraw/zinc/38/68/89/271386889.db2.gz MTUQZXDXEIQICU-LSDHHAIUSA-N 1 3 306.458 0.704 20 0 DCADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3C[C@H]3[NH3+])c2)CC1 ZINC000424129672 271399749 /nfs/dbraw/zinc/39/97/49/271399749.db2.gz GKNOHGVLUAYBFT-LSDHHAIUSA-N 1 3 316.405 0.670 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000459928751 272020695 /nfs/dbraw/zinc/02/06/95/272020695.db2.gz YSSVJKKKJFXZNJ-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000489992833 272068430 /nfs/dbraw/zinc/06/84/30/272068430.db2.gz KIDZJIVQFRJEQB-GBJTYRQASA-N 1 3 312.458 0.566 20 0 DCADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000489992833 272068433 /nfs/dbraw/zinc/06/84/33/272068433.db2.gz KIDZJIVQFRJEQB-GBJTYRQASA-N 1 3 312.458 0.566 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)C3(N)CCCC3)CC2)CC1 ZINC000237163844 277027183 /nfs/dbraw/zinc/02/71/83/277027183.db2.gz DFGDEZWWQVTTMQ-UHFFFAOYSA-N 1 3 308.470 0.933 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000546591070 288019595 /nfs/dbraw/zinc/01/95/95/288019595.db2.gz UKZUTUWYFFOBHC-GOEBONIOSA-N 1 3 312.458 0.617 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000546591070 288019599 /nfs/dbraw/zinc/01/95/99/288019599.db2.gz UKZUTUWYFFOBHC-GOEBONIOSA-N 1 3 312.458 0.617 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000546590539 288019859 /nfs/dbraw/zinc/01/98/59/288019859.db2.gz ILJLICVNXALQLX-MRXNPFEDSA-N 1 3 312.458 0.617 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000546592538 288020267 /nfs/dbraw/zinc/02/02/67/288020267.db2.gz ZWGQJMANFAFGDY-KRWDZBQOSA-N 1 3 324.469 0.759 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000339671600 279259039 /nfs/dbraw/zinc/25/90/39/279259039.db2.gz UTEIZXXUUXUAJU-IUODEOHRSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000374591327 279354934 /nfs/dbraw/zinc/35/49/34/279354934.db2.gz DJZOJCSVUVPKDG-HRCADAONSA-N 1 3 308.470 0.600 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000415140493 279621069 /nfs/dbraw/zinc/62/10/69/279621069.db2.gz UBVDIRJSKDMMPG-UKRRQHHQSA-N 1 3 302.422 0.574 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)CCOC2C[NH2+]C2)C[C@@H](C)O1 ZINC000349048567 288158671 /nfs/dbraw/zinc/15/86/71/288158671.db2.gz HXJRXJUFMROHCM-ZIAGYGMSSA-N 1 3 313.442 0.371 20 0 DCADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1CCCCCN1 ZINC000364478582 280021659 /nfs/dbraw/zinc/02/16/59/280021659.db2.gz GTKMVHNWXRQHBB-AWEZNQCLSA-N 1 3 303.410 0.962 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000552500592 288276584 /nfs/dbraw/zinc/27/65/84/288276584.db2.gz FLNWCWODAGOUCT-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[N@H+](C[C@H](O)CN[C@H]1CCCC[C@@H]1N1CCOCC1)C1CC1 ZINC000554939670 288341595 /nfs/dbraw/zinc/34/15/95/288341595.db2.gz IZPKYYQGZXQVMI-IKGGRYGDSA-N 1 3 311.470 0.675 20 0 DCADHO C[N@@H+](C[C@H](O)CN[C@H]1CCCC[C@@H]1N1CCOCC1)C1CC1 ZINC000554939670 288341596 /nfs/dbraw/zinc/34/15/96/288341596.db2.gz IZPKYYQGZXQVMI-IKGGRYGDSA-N 1 3 311.470 0.675 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC=CCC1 ZINC000556663283 288381753 /nfs/dbraw/zinc/38/17/53/288381753.db2.gz ZXTPMADDKUTCCL-HNNXBMFYSA-N 1 3 324.469 0.411 20 0 DCADHO C[C@@H]1CSC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000561565916 288547858 /nfs/dbraw/zinc/54/78/58/288547858.db2.gz DVRNEGOCURQBOZ-OLZOCXBDSA-N 1 3 302.488 0.873 20 0 DCADHO COC[C@]1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[NH2+]C1 ZINC000564828804 288773476 /nfs/dbraw/zinc/77/34/76/288773476.db2.gz OKVOPGCOMCCHET-UXLLHSPISA-N 1 3 321.396 0.705 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000342695173 288944486 /nfs/dbraw/zinc/94/44/86/288944486.db2.gz OXKQTHASYJCALQ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO NC(=O)[C@H]1CCCN1C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000131455845 295151701 /nfs/dbraw/zinc/15/17/01/295151701.db2.gz HOJDWZULIZRZSB-MRXNPFEDSA-N 1 3 308.470 0.886 20 0 DCADHO NC[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000294969162 303390882 /nfs/dbraw/zinc/39/08/82/303390882.db2.gz IYDXILFFQCAJJJ-JKSUJKDBSA-N 1 3 302.422 0.235 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000580213800 333013499 /nfs/dbraw/zinc/01/34/99/333013499.db2.gz DYEVQSAVMOZEKA-LSDHHAIUSA-N 1 3 312.458 0.785 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000582486507 337097468 /nfs/dbraw/zinc/09/74/68/337097468.db2.gz NUSJKSQTNUQITM-UONOGXRCSA-N 1 3 306.410 0.184 20 0 DCADHO C[C@H](Oc1ccccn1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000582765844 337139643 /nfs/dbraw/zinc/13/96/43/337139643.db2.gz HVWNOZIFOVXYSX-AWEZNQCLSA-N 1 3 308.426 0.801 20 0 DCADHO CN1CCN(Cc2ccc(NC(=O)COC3C[NH2+]C3)cc2)CC1 ZINC000583750542 337329334 /nfs/dbraw/zinc/32/93/34/337329334.db2.gz WPPLINXHKIVDEP-UHFFFAOYSA-N 1 3 318.421 0.361 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)Cc1ccoc1 ZINC000583857841 337349171 /nfs/dbraw/zinc/34/91/71/337349171.db2.gz BTIJEPHOIAWORM-UHFFFAOYSA-N 1 3 324.425 0.190 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccoc1 ZINC000583857841 337349172 /nfs/dbraw/zinc/34/91/72/337349172.db2.gz BTIJEPHOIAWORM-UHFFFAOYSA-N 1 3 324.425 0.190 20 0 DCADHO [NH3+]C[C@@H](O)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001580228329 1159282065 /nfs/dbraw/zinc/28/20/65/1159282065.db2.gz BBDZAAOMGHOSOW-LBPRGKRZSA-N 1 3 301.456 0.174 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)C2)nn1 ZINC000576823274 341864889 /nfs/dbraw/zinc/86/48/89/341864889.db2.gz VHNQAQXOVYHFLV-XNRPHZJLSA-N 1 3 318.425 0.290 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@H](C)[NH3+])CC1=O ZINC000247452147 521634539 /nfs/dbraw/zinc/63/45/39/521634539.db2.gz ZVJFBYHYJCHMEU-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCO[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000365667185 521706712 /nfs/dbraw/zinc/70/67/12/521706712.db2.gz VQGMYLSWSNZHOW-HNNXBMFYSA-N 1 3 314.474 0.049 20 0 DCADHO CCN1CCO[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000365667185 521706713 /nfs/dbraw/zinc/70/67/13/521706713.db2.gz VQGMYLSWSNZHOW-HNNXBMFYSA-N 1 3 314.474 0.049 20 0 DCADHO CCN1CCO[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000365667185 521706716 /nfs/dbraw/zinc/70/67/16/521706716.db2.gz VQGMYLSWSNZHOW-HNNXBMFYSA-N 1 3 314.474 0.049 20 0 DCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN)cc1 ZINC000415644885 528191220 /nfs/dbraw/zinc/19/12/20/528191220.db2.gz AMUYOCQFJNNINV-LBPRGKRZSA-N 1 3 306.410 0.930 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420121250 535063012 /nfs/dbraw/zinc/06/30/12/535063012.db2.gz MPUPZNSUIPCYGW-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH2+]C)CC1=O ZINC000121057746 535553766 /nfs/dbraw/zinc/55/37/66/535553766.db2.gz QOIYLMPOLXSJPA-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073642702 545665861 /nfs/dbraw/zinc/66/58/61/545665861.db2.gz JHZHJFOKEKTZNL-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000342084875 546117153 /nfs/dbraw/zinc/11/71/53/546117153.db2.gz KGZNJLLXGFKRTM-TYNCELHUSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000342084875 546117158 /nfs/dbraw/zinc/11/71/58/546117158.db2.gz KGZNJLLXGFKRTM-TYNCELHUSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000362187412 546204906 /nfs/dbraw/zinc/20/49/06/546204906.db2.gz PXQGKKBCPGXBBU-NQNKBUKLSA-N 1 3 313.486 0.871 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000362187412 546204911 /nfs/dbraw/zinc/20/49/11/546204911.db2.gz PXQGKKBCPGXBBU-NQNKBUKLSA-N 1 3 313.486 0.871 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CCNCC1)[NH+]1CCC(C)CC1 ZINC000638064242 546334681 /nfs/dbraw/zinc/33/46/81/546334681.db2.gz KOVMAJPJUYIXRV-INIZCTEOSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CN2CCNCC2)C1 ZINC000638067735 546335206 /nfs/dbraw/zinc/33/52/06/546335206.db2.gz UJENCDNZUBPOHS-HOTGVXAUSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000665758296 546393121 /nfs/dbraw/zinc/39/31/21/546393121.db2.gz DYSREGVUMGXFQF-SOUVJXGZSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC[C@H]1O ZINC000665758296 546393124 /nfs/dbraw/zinc/39/31/24/546393124.db2.gz DYSREGVUMGXFQF-SOUVJXGZSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN)c1)C[NH+]1CCCC1 ZINC000666683026 546496341 /nfs/dbraw/zinc/49/63/41/546496341.db2.gz ZPFVQXSTYXHONA-ZDUSSCGKSA-N 1 3 318.421 0.932 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000666922667 546528986 /nfs/dbraw/zinc/52/89/86/546528986.db2.gz VLWBMIWCWLHQSA-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000666922667 546528991 /nfs/dbraw/zinc/52/89/91/546528991.db2.gz VLWBMIWCWLHQSA-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CN1CCC[C@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000669403308 546967808 /nfs/dbraw/zinc/96/78/08/546967808.db2.gz TYRXAPUCAIFBIP-PCKAHOCUSA-N 1 3 323.485 0.596 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CCO1 ZINC000669571184 546992615 /nfs/dbraw/zinc/99/26/15/546992615.db2.gz KSYFRNAUSPWARS-NWANDNLSSA-N 1 3 310.442 0.761 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCc2nccn2C1 ZINC000682493178 548388968 /nfs/dbraw/zinc/38/89/68/548388968.db2.gz NVUONXMZOWSTDW-AWEZNQCLSA-N 1 3 307.442 0.397 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(N)=O ZINC001675985741 1175410130 /nfs/dbraw/zinc/41/01/30/1175410130.db2.gz GPKAIHFXYLACJC-KGLIPLIRSA-N 1 3 312.458 0.609 20 0 DCADHO O=C(NC[C@H]1CCCN1CCO)C1CC[NH+](CC2CC2)CC1 ZINC001028253809 661351842 /nfs/dbraw/zinc/35/18/42/661351842.db2.gz HEVMJRLYUDONNG-MRXNPFEDSA-N 1 3 309.454 0.681 20 0 DCADHO CC(C)OC[C@@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346170 667512753 /nfs/dbraw/zinc/51/27/53/667512753.db2.gz QDABKPUOTIALLW-KBPBESRZSA-N 1 3 301.431 0.092 20 0 DCADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980391696 660926461 /nfs/dbraw/zinc/92/64/61/660926461.db2.gz RETNZWJNZGBGCQ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980391696 660926465 /nfs/dbraw/zinc/92/64/65/660926465.db2.gz RETNZWJNZGBGCQ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2cncn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000980705413 660987963 /nfs/dbraw/zinc/98/79/63/660987963.db2.gz ZBBVDTWHOUUEEG-STQMWFEESA-N 1 3 316.409 0.713 20 0 DCADHO O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCN(CCCO)CC1 ZINC000981152286 661089140 /nfs/dbraw/zinc/08/91/40/661089140.db2.gz GGPGWYQIMIEYJQ-HOTGVXAUSA-N 1 3 309.454 0.778 20 0 DCADHO O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCN(CCCO)CC1 ZINC000981152286 661089143 /nfs/dbraw/zinc/08/91/43/661089143.db2.gz GGPGWYQIMIEYJQ-HOTGVXAUSA-N 1 3 309.454 0.778 20 0 DCADHO CO[C@]1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCS(=O)(=O)C1 ZINC000925825184 661242963 /nfs/dbraw/zinc/24/29/63/661242963.db2.gz BYJSIWYKDFPWGQ-BZPMIXESSA-N 1 3 304.456 0.686 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001023128526 657539703 /nfs/dbraw/zinc/53/97/03/657539703.db2.gz ILCKFIJRHACMJD-LXTVHRRPSA-N 1 3 322.453 0.328 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023130669 657540923 /nfs/dbraw/zinc/54/09/23/657540923.db2.gz YOTYPBRHNQPIKB-BETUJISGSA-N 1 3 304.394 0.084 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001023130601 657542065 /nfs/dbraw/zinc/54/20/65/657542065.db2.gz WGFIHAJWTQQZCU-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000970479286 657556458 /nfs/dbraw/zinc/55/64/58/657556458.db2.gz SSVZMGRMOYRYFW-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000970479286 657556463 /nfs/dbraw/zinc/55/64/63/657556463.db2.gz SSVZMGRMOYRYFW-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001021447193 657809580 /nfs/dbraw/zinc/80/95/80/657809580.db2.gz COAQUYCXIGPUDR-AGUYFDCRSA-N 1 3 306.410 0.755 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001021447193 657809587 /nfs/dbraw/zinc/80/95/87/657809587.db2.gz COAQUYCXIGPUDR-AGUYFDCRSA-N 1 3 306.410 0.755 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000969559986 657977860 /nfs/dbraw/zinc/97/78/60/657977860.db2.gz KHZSZFJVBGKYSI-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(CCOC2CCC2)C1 ZINC000970876235 658011755 /nfs/dbraw/zinc/01/17/55/658011755.db2.gz UBUKTOQXJKEBSP-KBPBESRZSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCOC2CCC2)C1 ZINC000970876235 658011761 /nfs/dbraw/zinc/01/17/61/658011761.db2.gz UBUKTOQXJKEBSP-KBPBESRZSA-N 1 3 309.454 0.944 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CCO)CC[C@H]21)C1CCC1 ZINC001021604324 658102212 /nfs/dbraw/zinc/10/22/12/658102212.db2.gz BVHZRHQHOZGZGP-GDBMZVCRSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@H]21)C1CCC1 ZINC001021604324 658102215 /nfs/dbraw/zinc/10/22/15/658102215.db2.gz BVHZRHQHOZGZGP-GDBMZVCRSA-N 1 3 309.454 0.776 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001023888669 658297346 /nfs/dbraw/zinc/29/73/46/658297346.db2.gz ALCSDFAHQSBEGA-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001023888919 658297617 /nfs/dbraw/zinc/29/76/17/658297617.db2.gz FWOGFHZBORHQKK-HIFRSBDPSA-N 1 3 320.441 0.238 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC000969964061 658302377 /nfs/dbraw/zinc/30/23/77/658302377.db2.gz BGYXCRCWZJNQFG-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2cnn(CC)c2)C1)N(C)C ZINC000969986330 658324466 /nfs/dbraw/zinc/32/44/66/658324466.db2.gz XODNLPJRVFKPMD-CVEARBPZSA-N 1 3 321.469 0.976 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001022712684 658358793 /nfs/dbraw/zinc/35/87/93/658358793.db2.gz XPHSOWFKPUVMSP-APIJFGDWSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020675675 658361563 /nfs/dbraw/zinc/36/15/63/658361563.db2.gz APTFNTNMPZQQRX-SYQHCUMBSA-N 1 3 310.442 0.360 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001022714747 658362114 /nfs/dbraw/zinc/36/21/14/658362114.db2.gz ZWNRJCJVPALQIB-CWRNSKLLSA-N 1 3 319.453 0.541 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972733908 658363425 /nfs/dbraw/zinc/36/34/25/658363425.db2.gz UWDMNRHAOUYTCD-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972733908 658363436 /nfs/dbraw/zinc/36/34/36/658363436.db2.gz UWDMNRHAOUYTCD-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO Cn1cc(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000971201068 658402758 /nfs/dbraw/zinc/40/27/58/658402758.db2.gz LHMRGGHYKGYNMJ-JKSUJKDBSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1cc(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000971201068 658402762 /nfs/dbraw/zinc/40/27/62/658402762.db2.gz LHMRGGHYKGYNMJ-JKSUJKDBSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1nccc1CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971202208 658403714 /nfs/dbraw/zinc/40/37/14/658403714.db2.gz UHDPXPQOBVYWBE-HOTGVXAUSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1nccc1CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971202208 658403719 /nfs/dbraw/zinc/40/37/19/658403719.db2.gz UHDPXPQOBVYWBE-HOTGVXAUSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC000970097369 658449899 /nfs/dbraw/zinc/44/98/99/658449899.db2.gz CIHNYLIJBAWYHZ-CYBMUJFWSA-N 1 3 315.377 0.042 20 0 DCADHO CC(C)[NH2+]C1CC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999143029 665584960 /nfs/dbraw/zinc/58/49/60/665584960.db2.gz KSZSTYWNQQDCDH-RDVIWEACSA-N 1 3 307.438 0.837 20 0 DCADHO C[NH2+]CCOCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892282055 658594159 /nfs/dbraw/zinc/59/41/59/658594159.db2.gz WOHDRTZFFNTMIB-OAHLLOKOSA-N 1 3 306.410 0.236 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)C[NH2+]1 ZINC000892290289 658631310 /nfs/dbraw/zinc/63/13/10/658631310.db2.gz IWGALICPEYRJID-GJZGRUSLSA-N 1 3 323.485 0.548 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000999189360 665596217 /nfs/dbraw/zinc/59/62/17/665596217.db2.gz KMSQIAJCZQBIPS-FVQBIDKESA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000999189360 665596218 /nfs/dbraw/zinc/59/62/18/665596218.db2.gz KMSQIAJCZQBIPS-FVQBIDKESA-N 1 3 319.453 0.841 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001020980241 658648954 /nfs/dbraw/zinc/64/89/54/658648954.db2.gz AYGSDSJFHAWFAM-IHRRRGAJSA-N 1 3 306.410 0.924 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1)C1CC1 ZINC001039134361 658658494 /nfs/dbraw/zinc/65/84/94/658658494.db2.gz PUDUQYVNVUESNM-SJORKVTESA-N 1 3 323.481 0.879 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1)C1CC1 ZINC001039134361 658658497 /nfs/dbraw/zinc/65/84/97/658658497.db2.gz PUDUQYVNVUESNM-SJORKVTESA-N 1 3 323.481 0.879 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC000970178689 658701425 /nfs/dbraw/zinc/70/14/25/658701425.db2.gz YFUCODFKYVAKIK-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n[nH]1 ZINC000939551988 665603527 /nfs/dbraw/zinc/60/35/27/665603527.db2.gz VHKLGFKNUBWRLM-DGCLKSJQSA-N 1 3 318.425 0.145 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN[C@]23C[C@H]2COC32CCC2)CC1 ZINC000933393930 658871221 /nfs/dbraw/zinc/87/12/21/658871221.db2.gz MHDMEABGPRTMNH-SUMWQHHRSA-N 1 3 307.438 0.888 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022977097 658887129 /nfs/dbraw/zinc/88/71/29/658887129.db2.gz UYLDRKBMQKSXJP-KFWWJZLASA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022977097 658887138 /nfs/dbraw/zinc/88/71/38/658887138.db2.gz UYLDRKBMQKSXJP-KFWWJZLASA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1cnccn1 ZINC001022981483 658890598 /nfs/dbraw/zinc/89/05/98/658890598.db2.gz QTEIBYDXLOMGQB-MELADBBJSA-N 1 3 315.421 0.870 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000891513934 658898906 /nfs/dbraw/zinc/89/89/06/658898906.db2.gz KCAIZLXLWSZEBM-YIDVYQOGSA-N 1 3 322.453 0.679 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000924465125 658923238 /nfs/dbraw/zinc/92/32/38/658923238.db2.gz RGUONPWTSYTRLN-KGLIPLIRSA-N 1 3 324.425 0.112 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999473163 665649220 /nfs/dbraw/zinc/64/92/20/665649220.db2.gz LDENKZYLMQNWQC-DNOWBOINSA-N 1 3 306.410 0.958 20 0 DCADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000892817152 659467113 /nfs/dbraw/zinc/46/71/13/659467113.db2.gz AHRFMKOUQKWWNL-AIANPOQGSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000892817152 659467116 /nfs/dbraw/zinc/46/71/16/659467116.db2.gz AHRFMKOUQKWWNL-AIANPOQGSA-N 1 3 322.453 0.443 20 0 DCADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)ncn1 ZINC001026734843 659492395 /nfs/dbraw/zinc/49/23/95/659492395.db2.gz UTYZVJMQPUWTMB-ZBFHGGJFSA-N 1 3 317.437 0.817 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936330801 659502663 /nfs/dbraw/zinc/50/26/63/659502663.db2.gz BWLBTBWUBVJGBE-CHWSQXEVSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936330801 659502665 /nfs/dbraw/zinc/50/26/65/659502665.db2.gz BWLBTBWUBVJGBE-CHWSQXEVSA-N 1 3 319.409 0.011 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001025778815 659555207 /nfs/dbraw/zinc/55/52/07/659555207.db2.gz FRMCWWVBYGVSKT-OWYFMNJBSA-N 1 3 309.454 0.941 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001025778815 659555209 /nfs/dbraw/zinc/55/52/09/659555209.db2.gz FRMCWWVBYGVSKT-OWYFMNJBSA-N 1 3 309.454 0.941 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1)C1CC1 ZINC001026886675 659627044 /nfs/dbraw/zinc/62/70/44/659627044.db2.gz DEHNMMKIIZXWLV-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001026901249 659629863 /nfs/dbraw/zinc/62/98/63/659629863.db2.gz LVYVFFZHCKYGPR-HOCLYGCPSA-N 1 3 321.469 0.944 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001026921037 659638985 /nfs/dbraw/zinc/63/89/85/659638985.db2.gz LBNJOHGJEYGHJV-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+]1CCC(C(=O)N2CC[C@@H](CNCc3cnns3)C2)CC1 ZINC001027036779 659725276 /nfs/dbraw/zinc/72/52/76/659725276.db2.gz HOGBHGJZFRXMTB-LBPRGKRZSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2nncn2C)C1 ZINC001027062762 659758730 /nfs/dbraw/zinc/75/87/30/659758730.db2.gz BGILHHXKNBMZTP-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2nncn2C)C1 ZINC001027062762 659758735 /nfs/dbraw/zinc/75/87/35/659758735.db2.gz BGILHHXKNBMZTP-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001027064670 659762203 /nfs/dbraw/zinc/76/22/03/659762203.db2.gz IVKRPLNNKHZXIY-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091719 659798384 /nfs/dbraw/zinc/79/83/84/659798384.db2.gz SPSZRYIXHCBFIH-GFCCVEGCSA-N 1 3 302.382 0.324 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000079731 665736363 /nfs/dbraw/zinc/73/63/63/665736363.db2.gz AVOHAMDQIJLIRT-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCOC1)C12CC[NH+](CC1)C2 ZINC001032733558 665751353 /nfs/dbraw/zinc/75/13/53/665751353.db2.gz AEVFROQXXMKGEY-JYJNAYRXSA-N 1 3 319.449 0.794 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC001000188713 665768388 /nfs/dbraw/zinc/76/83/88/665768388.db2.gz BTKOPNSZJSYRRQ-KBPBESRZSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC001000188713 665768391 /nfs/dbraw/zinc/76/83/91/665768391.db2.gz BTKOPNSZJSYRRQ-KBPBESRZSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001000193319 665770894 /nfs/dbraw/zinc/77/08/94/665770894.db2.gz OZFPQDYHMFLGGM-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001000193320 665771111 /nfs/dbraw/zinc/77/11/11/665771111.db2.gz OZFPQDYHMFLGGM-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]C[C@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894175298 661643330 /nfs/dbraw/zinc/64/33/30/661643330.db2.gz GAXXVTPPUFIALX-AGIUHOORSA-N 1 3 319.396 0.656 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656150 661730887 /nfs/dbraw/zinc/73/08/87/661730887.db2.gz FDBLTKGHZJFWFG-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000940525586 665791557 /nfs/dbraw/zinc/79/15/57/665791557.db2.gz HSILRBUHXBROOF-ZNMIVQPWSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000940525586 665791559 /nfs/dbraw/zinc/79/15/59/665791559.db2.gz HSILRBUHXBROOF-ZNMIVQPWSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779026 661821753 /nfs/dbraw/zinc/82/17/53/661821753.db2.gz SGIJBWLIOUXLAX-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccccn3)C2)C1 ZINC001028986311 661920490 /nfs/dbraw/zinc/92/04/90/661920490.db2.gz QDAKLZNKKSJVAJ-LSDHHAIUSA-N 1 3 302.422 0.971 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccccn3)C2)C1 ZINC001028986311 661920492 /nfs/dbraw/zinc/92/04/92/661920492.db2.gz QDAKLZNKKSJVAJ-LSDHHAIUSA-N 1 3 302.422 0.971 20 0 DCADHO COC(=O)[C@@H]1[C@H](C[NH2+]CCN2CCN(C)C(C)(C)C2)C1(F)F ZINC000894659998 661992169 /nfs/dbraw/zinc/99/21/69/661992169.db2.gz GTRODDMFDJDKEG-RYUDHWBXSA-N 1 3 319.396 0.656 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H](NCCF)C2)cn1 ZINC001000432354 665839619 /nfs/dbraw/zinc/83/96/19/665839619.db2.gz MWCUCLUMOQZUOU-CQSZACIVSA-N 1 3 311.405 0.608 20 0 DCADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000895850772 662222544 /nfs/dbraw/zinc/22/25/44/662222544.db2.gz KUVLCBJFYIQYJB-BPUTZDHNSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000895850772 662222545 /nfs/dbraw/zinc/22/25/45/662222545.db2.gz KUVLCBJFYIQYJB-BPUTZDHNSA-N 1 3 322.453 0.585 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC000984805526 662316757 /nfs/dbraw/zinc/31/67/57/662316757.db2.gz UFSNCMAWHPKCAC-KBUPBQIOSA-N 1 3 322.453 0.091 20 0 DCADHO [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)N2CCNCC2)C1 ZINC000923748888 662450911 /nfs/dbraw/zinc/45/09/11/662450911.db2.gz NWWUIHFNNHQZAE-CYBMUJFWSA-N 1 3 324.450 0.164 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985458273 662454156 /nfs/dbraw/zinc/45/41/56/662454156.db2.gz BGBXORNRURQOGX-ZFWWWQNUSA-N 1 3 324.469 0.657 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985458273 662454158 /nfs/dbraw/zinc/45/41/58/662454158.db2.gz BGBXORNRURQOGX-ZFWWWQNUSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985466593 662460005 /nfs/dbraw/zinc/46/00/05/662460005.db2.gz AEWRMLKYCMDFEB-SMDDNHRTSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985466593 662460006 /nfs/dbraw/zinc/46/00/06/662460006.db2.gz AEWRMLKYCMDFEB-SMDDNHRTSA-N 1 3 310.442 0.123 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001029788583 662473745 /nfs/dbraw/zinc/47/37/45/662473745.db2.gz YEHRZGDPRBIJKF-GJEMEMOUSA-N 1 3 307.438 0.650 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001029788583 662473746 /nfs/dbraw/zinc/47/37/46/662473746.db2.gz YEHRZGDPRBIJKF-GJEMEMOUSA-N 1 3 307.438 0.650 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000985655283 662496770 /nfs/dbraw/zinc/49/67/70/662496770.db2.gz HZSYFXIXSURSEO-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000985655283 662496771 /nfs/dbraw/zinc/49/67/71/662496771.db2.gz HZSYFXIXSURSEO-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852589 662498210 /nfs/dbraw/zinc/49/82/10/662498210.db2.gz FKHMAXUFNIECOO-ZIAGYGMSSA-N 1 3 306.410 0.769 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852589 662498211 /nfs/dbraw/zinc/49/82/11/662498211.db2.gz FKHMAXUFNIECOO-ZIAGYGMSSA-N 1 3 306.410 0.769 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713031 662503957 /nfs/dbraw/zinc/50/39/57/662503957.db2.gz MCDXGZOISDFZPD-CQSZACIVSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713031 662503958 /nfs/dbraw/zinc/50/39/58/662503958.db2.gz MCDXGZOISDFZPD-CQSZACIVSA-N 1 3 324.469 0.515 20 0 DCADHO C[N@H+](CCn1cccn1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786376 662512673 /nfs/dbraw/zinc/51/26/73/662512673.db2.gz AKFALPONJYHKQL-UHFFFAOYSA-N 1 3 319.453 0.902 20 0 DCADHO C[N@@H+](CCn1cccn1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786376 662512674 /nfs/dbraw/zinc/51/26/74/662512674.db2.gz AKFALPONJYHKQL-UHFFFAOYSA-N 1 3 319.453 0.902 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786374 662512778 /nfs/dbraw/zinc/51/27/78/662512778.db2.gz ADJMOJDGVFZLLS-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786374 662512779 /nfs/dbraw/zinc/51/27/79/662512779.db2.gz ADJMOJDGVFZLLS-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064963 662640520 /nfs/dbraw/zinc/64/05/20/662640520.db2.gz HIUCCKUMYBDGCU-DOMZBBRYSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000897460791 662762333 /nfs/dbraw/zinc/76/23/33/662762333.db2.gz WQCZDFZBDJZBAX-LSDHHAIUSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000897460791 662762335 /nfs/dbraw/zinc/76/23/35/662762335.db2.gz WQCZDFZBDJZBAX-LSDHHAIUSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@@H]1C[C@H](NCCF)CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000988854966 662868059 /nfs/dbraw/zinc/86/80/59/662868059.db2.gz MKIDCHBHDLYOTN-OLZOCXBDSA-N 1 3 311.405 0.607 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001030019503 662887220 /nfs/dbraw/zinc/88/72/20/662887220.db2.gz BZQKHJMAICZUMQ-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CCN1C ZINC000925326117 662987182 /nfs/dbraw/zinc/98/71/82/662987182.db2.gz UWZGXOQYWKGOCX-ILXRZTDVSA-N 1 3 312.458 0.831 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001030021642 663088686 /nfs/dbraw/zinc/08/86/86/663088686.db2.gz KMDADEJEYZBWIZ-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000938195778 663193953 /nfs/dbraw/zinc/19/39/53/663193953.db2.gz KFBUIAFTEDVIOJ-ZDUSSCGKSA-N 1 3 319.409 0.011 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCCCC1)C2 ZINC000903490685 663458059 /nfs/dbraw/zinc/45/80/59/663458059.db2.gz DATBLSOMBLMSOS-ZENOOKHLSA-N 1 3 309.410 0.211 20 0 DCADHO c1cnc(N[C@@H]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nc1 ZINC000903763056 663480352 /nfs/dbraw/zinc/48/03/52/663480352.db2.gz HLSACCGGXWPQMD-FMKPAKJESA-N 1 3 303.410 0.731 20 0 DCADHO [NH3+][C@@H](CC(F)F)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000903891610 663490145 /nfs/dbraw/zinc/49/01/45/663490145.db2.gz MFMAIOUCWKTOBI-LBPRGKRZSA-N 1 3 304.385 0.209 20 0 DCADHO COC(=O)C[C@@H]1CCCN1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903894730 663493510 /nfs/dbraw/zinc/49/35/10/663493510.db2.gz CTCKLXNYUKJTDC-HIFRSBDPSA-N 1 3 308.426 0.873 20 0 DCADHO C[NH+](C)CC1(CNC[C@@H](O)C[C@]2(O)CCOC2)CCCC1 ZINC000905211781 663540768 /nfs/dbraw/zinc/54/07/68/663540768.db2.gz GYFWVDTYKRATFS-GOEBONIOSA-N 1 3 300.443 0.600 20 0 DCADHO COC(=O)c1cc(C[NH2+]C[C@H](O)CN(C)C2CC2)n(C)c1C ZINC000905441187 663557514 /nfs/dbraw/zinc/55/75/14/663557514.db2.gz SQVWCFAYSYFDPZ-AWEZNQCLSA-N 1 3 309.410 0.665 20 0 DCADHO COC[C@@]1(CN(C)C)COCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000906124394 663601295 /nfs/dbraw/zinc/60/12/95/663601295.db2.gz ULQZBHXXBVANBN-INIZCTEOSA-N 1 3 315.458 0.570 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941412907 665993619 /nfs/dbraw/zinc/99/36/19/665993619.db2.gz POYAMCMXGMPSAD-NVXWUHKLSA-N 1 3 322.497 0.811 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941412907 665993622 /nfs/dbraw/zinc/99/36/22/665993622.db2.gz POYAMCMXGMPSAD-NVXWUHKLSA-N 1 3 322.497 0.811 20 0 DCADHO C[NH+]1CCC(C(=O)NCC(=O)NCCN2CCCCC2)CC1 ZINC000909311080 663794116 /nfs/dbraw/zinc/79/41/16/663794116.db2.gz JEGKRARHFCQDSA-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C[NH3+] ZINC000910954544 663958137 /nfs/dbraw/zinc/95/81/37/663958137.db2.gz APXMQYDXHBTKKH-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911030279 663974028 /nfs/dbraw/zinc/97/40/28/663974028.db2.gz VEJQGFVACUXZAX-MGPQQGTHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911160336 663995112 /nfs/dbraw/zinc/99/51/12/663995112.db2.gz BMEKELAQFSZQOS-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911161806 663995641 /nfs/dbraw/zinc/99/56/41/663995641.db2.gz NATHQWUIEUWFGZ-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911161569 663995729 /nfs/dbraw/zinc/99/57/29/663995729.db2.gz LWWIBXHEIPVCGY-MJBXVCDLSA-N 1 3 310.442 0.078 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911206478 664005043 /nfs/dbraw/zinc/00/50/43/664005043.db2.gz GSMNCWKITRPILU-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911209813 664005374 /nfs/dbraw/zinc/00/53/74/664005374.db2.gz NATKHDJIMSHYIX-VBQJREDUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)C1=CCN(C)CC1 ZINC000911220635 664007615 /nfs/dbraw/zinc/00/76/15/664007615.db2.gz XGHBOWDUDAXPNL-VNHYZAJKSA-N 1 3 322.453 0.115 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000911259248 664017250 /nfs/dbraw/zinc/01/72/50/664017250.db2.gz WUZFSKSLERCOJF-HZSPNIEDSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911528559 664068275 /nfs/dbraw/zinc/06/82/75/664068275.db2.gz PWHFCYWEIFFHAM-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000911532397 664070133 /nfs/dbraw/zinc/07/01/33/664070133.db2.gz KXLIZCAJBBPOKN-ZDUSSCGKSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911551670 664077109 /nfs/dbraw/zinc/07/71/09/664077109.db2.gz PMXNHCCNNNDSFP-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)c1ccc2c(c1)OCCNC2 ZINC000911629944 664094101 /nfs/dbraw/zinc/09/41/01/664094101.db2.gz LVOLZWPCISQHFT-UHFFFAOYSA-N 1 3 318.421 0.194 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC000911869400 664116144 /nfs/dbraw/zinc/11/61/44/664116144.db2.gz WDSVWNBSFXQNQH-ZIAGYGMSSA-N 1 3 316.405 0.723 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCCN1C ZINC000912065418 664136955 /nfs/dbraw/zinc/13/69/55/664136955.db2.gz NSLRLRLVOPCAHW-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCCN1C ZINC000912065418 664136957 /nfs/dbraw/zinc/13/69/57/664136957.db2.gz NSLRLRLVOPCAHW-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000912599309 664190001 /nfs/dbraw/zinc/19/00/01/664190001.db2.gz NENQSKZHRUPGQG-DLBZAZTESA-N 1 3 319.449 0.714 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000912599309 664190002 /nfs/dbraw/zinc/19/00/02/664190002.db2.gz NENQSKZHRUPGQG-DLBZAZTESA-N 1 3 319.449 0.714 20 0 DCADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CCO)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008450 664647426 /nfs/dbraw/zinc/64/74/26/664647426.db2.gz CWIUKAXRVYFYOU-JZXOWHBKSA-N 1 3 321.465 0.966 20 0 DCADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008450 664647427 /nfs/dbraw/zinc/64/74/27/664647427.db2.gz CWIUKAXRVYFYOU-JZXOWHBKSA-N 1 3 321.465 0.966 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000915153083 664867832 /nfs/dbraw/zinc/86/78/32/664867832.db2.gz LYUOGZMFWJUFQT-ZFWWWQNUSA-N 1 3 312.458 0.879 20 0 DCADHO C[NH+]1CCC(CNC(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000916882104 665098861 /nfs/dbraw/zinc/09/88/61/665098861.db2.gz CZLXSPQWNVIESK-MRXNPFEDSA-N 1 3 324.469 0.881 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997926983 665373776 /nfs/dbraw/zinc/37/37/76/665373776.db2.gz CAHZZCHKRYFXMW-CKDBGZEDSA-N 1 3 307.438 0.698 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941544852 666017636 /nfs/dbraw/zinc/01/76/36/666017636.db2.gz BYKNMMPHPONKOT-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CN(CCNS(=O)(=O)CC1CC[NH2+]CC1)C1CCCC1 ZINC000071379545 666058450 /nfs/dbraw/zinc/05/84/50/666058450.db2.gz CBFRUPFGCYEASE-UHFFFAOYSA-N 1 3 303.472 0.780 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002122398 666134657 /nfs/dbraw/zinc/13/46/57/666134657.db2.gz DDNFSCANNVQVJH-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002122398 666134660 /nfs/dbraw/zinc/13/46/60/666134660.db2.gz DDNFSCANNVQVJH-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000921938498 666186954 /nfs/dbraw/zinc/18/69/54/666186954.db2.gz XRZUJQOVOHXODF-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003629484 666337462 /nfs/dbraw/zinc/33/74/62/666337462.db2.gz BFWJDXRZBRETQX-GOEBONIOSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003629484 666337464 /nfs/dbraw/zinc/33/74/64/666337464.db2.gz BFWJDXRZBRETQX-GOEBONIOSA-N 1 3 319.453 0.661 20 0 DCADHO O=C(NCC1CN(CCCO)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118814 666344552 /nfs/dbraw/zinc/34/45/52/666344552.db2.gz WFDIZDPSKRDYLE-UHFFFAOYSA-N 1 3 309.454 0.539 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001032186359 666395456 /nfs/dbraw/zinc/39/54/56/666395456.db2.gz OWCOXJXXNFDSHQ-LSDHHAIUSA-N 1 3 309.454 0.801 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001032186359 666395459 /nfs/dbraw/zinc/39/54/59/666395459.db2.gz OWCOXJXXNFDSHQ-LSDHHAIUSA-N 1 3 309.454 0.801 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004371228 666525658 /nfs/dbraw/zinc/52/56/58/666525658.db2.gz KTIJJQMOQLSUQV-JKSUJKDBSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004371228 666525659 /nfs/dbraw/zinc/52/56/59/666525659.db2.gz KTIJJQMOQLSUQV-JKSUJKDBSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)C(C)(C)C2)CCC1 ZINC000995887408 666719266 /nfs/dbraw/zinc/71/92/66/666719266.db2.gz OTHFMCVGYMXRJD-QWHCGFSZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]([NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C)C(N)=O ZINC000995889500 666719409 /nfs/dbraw/zinc/71/94/09/666719409.db2.gz VIKKGTJBRBNEJF-NEPJUHHUSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)N(C)C ZINC000995946072 666723109 /nfs/dbraw/zinc/72/31/09/666723109.db2.gz FXJXUOHYJNJBRC-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+]1CCC(C(=O)N2C[C@H](N[C@@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996248254 666756281 /nfs/dbraw/zinc/75/62/81/666756281.db2.gz MRCNNSCFJCSICR-KGLIPLIRSA-N 1 3 322.453 0.043 20 0 DCADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000996354903 666776047 /nfs/dbraw/zinc/77/60/47/666776047.db2.gz IZOVLKITJCQZIT-JSGCOSHPSA-N 1 3 306.410 0.815 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cncn3C)CC2)C1 ZINC000997004465 667068444 /nfs/dbraw/zinc/06/84/44/667068444.db2.gz DAQMUCXIRXLUPE-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001034736253 667129629 /nfs/dbraw/zinc/12/96/29/667129629.db2.gz UPAQDDRJGGWNCJ-XJFOESAGSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000863774020 667181191 /nfs/dbraw/zinc/18/11/91/667181191.db2.gz NUGCMUXOZCJLTG-CYBMUJFWSA-N 1 3 324.425 0.366 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001035103112 667239580 /nfs/dbraw/zinc/23/95/80/667239580.db2.gz XQVMIXUEVZYFLG-UONOGXRCSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001035103112 667239582 /nfs/dbraw/zinc/23/95/82/667239582.db2.gz XQVMIXUEVZYFLG-UONOGXRCSA-N 1 3 320.441 0.536 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997299111 667240492 /nfs/dbraw/zinc/24/04/92/667240492.db2.gz NOMKSJHSYPJKDR-NSHDSACASA-N 1 3 309.439 0.570 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997299111 667240494 /nfs/dbraw/zinc/24/04/94/667240494.db2.gz NOMKSJHSYPJKDR-NSHDSACASA-N 1 3 309.439 0.570 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997367058 667260793 /nfs/dbraw/zinc/26/07/93/667260793.db2.gz ILNBFVMWLBTUFK-UHFFFAOYSA-N 1 3 318.421 0.428 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(CCCO)C3)CC2)CC[N@@H+]1C ZINC001035708146 667402414 /nfs/dbraw/zinc/40/24/14/667402414.db2.gz CRTXUAFPIHZGSF-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC3(CN(CCCO)C3)CC2)CC[N@H+]1C ZINC001035708146 667402415 /nfs/dbraw/zinc/40/24/15/667402415.db2.gz CRTXUAFPIHZGSF-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO CC1(C)CC[N@H+](CC(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035798753 667410717 /nfs/dbraw/zinc/41/07/17/667410717.db2.gz OJOHDLCXEUHWQX-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO CC1(C)CC[N@@H+](CC(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035798753 667410719 /nfs/dbraw/zinc/41/07/19/667410719.db2.gz OJOHDLCXEUHWQX-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035834509 667413787 /nfs/dbraw/zinc/41/37/87/667413787.db2.gz BBZJQFUKIYIXRO-UHFFFAOYSA-N 1 3 307.438 0.653 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC3(CN(CCCO)C3)CC2)C1 ZINC001035837563 667413990 /nfs/dbraw/zinc/41/39/90/667413990.db2.gz YFGCIMNROBYPJE-HNNXBMFYSA-N 1 3 309.454 0.635 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC3(CN(CCCO)C3)CC2)C1 ZINC001035837563 667413991 /nfs/dbraw/zinc/41/39/91/667413991.db2.gz YFGCIMNROBYPJE-HNNXBMFYSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035858436 667414782 /nfs/dbraw/zinc/41/47/82/667414782.db2.gz IAFCBRNOZFWJPN-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001036326655 667436341 /nfs/dbraw/zinc/43/63/41/667436341.db2.gz OVNIEEQFTYYZDA-UONOGXRCSA-N 1 3 319.409 0.202 20 0 DCADHO O=C1CCCCN1[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923311252 667505348 /nfs/dbraw/zinc/50/53/48/667505348.db2.gz JNSVKYAFYXUMKZ-GJZGRUSLSA-N 1 3 307.438 0.842 20 0 DCADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000884240299 667507636 /nfs/dbraw/zinc/50/76/36/667507636.db2.gz OKMPNXDKDSJSBZ-ZNMIVQPWSA-N 1 3 322.453 0.221 20 0 DCADHO CN1CC(=O)N(CCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000923375411 667520106 /nfs/dbraw/zinc/52/01/06/667520106.db2.gz LTPCNFMOFYNUDG-ZFWWWQNUSA-N 1 3 324.425 0.099 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)nn1 ZINC000923412189 667529575 /nfs/dbraw/zinc/52/95/75/667529575.db2.gz VBJUMFPUZAKDIC-LSDHHAIUSA-N 1 3 305.357 0.856 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)nn1 ZINC000923412189 667529578 /nfs/dbraw/zinc/52/95/78/667529578.db2.gz VBJUMFPUZAKDIC-LSDHHAIUSA-N 1 3 305.357 0.856 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)nn1 ZINC000923411040 667529681 /nfs/dbraw/zinc/52/96/81/667529681.db2.gz MLWFPFCLBPLLGS-DLBZAZTESA-N 1 3 315.421 0.977 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](C[C@H](O)CCc3ccccc3)C2)nn1 ZINC000923411040 667529684 /nfs/dbraw/zinc/52/96/84/667529684.db2.gz MLWFPFCLBPLLGS-DLBZAZTESA-N 1 3 315.421 0.977 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000923487475 667543065 /nfs/dbraw/zinc/54/30/65/667543065.db2.gz DIJAAMMCCBHLAV-KGLIPLIRSA-N 1 3 319.405 0.613 20 0 DCADHO C[C@@H]1CN([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1C[NH3+] ZINC000923501305 667550812 /nfs/dbraw/zinc/55/08/12/667550812.db2.gz QDCVQAZAYZMRLZ-HZSPNIEDSA-N 1 3 305.426 0.832 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507061 667550871 /nfs/dbraw/zinc/55/08/71/667550871.db2.gz NJEMTJOSKOJSKD-AWEZNQCLSA-N 1 3 317.499 0.980 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868363253 667560245 /nfs/dbraw/zinc/56/02/45/667560245.db2.gz HWUIGEFHBVFXFJ-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868363253 667560247 /nfs/dbraw/zinc/56/02/47/667560247.db2.gz HWUIGEFHBVFXFJ-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@H]1[NH3+] ZINC000868404714 667566574 /nfs/dbraw/zinc/56/65/74/667566574.db2.gz FPCVUVVHMNOXHU-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CCC1(C)C ZINC000868404770 667566726 /nfs/dbraw/zinc/56/67/26/667566726.db2.gz FZVAOEVLALDPIF-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884577788 667569681 /nfs/dbraw/zinc/56/96/81/667569681.db2.gz MAOZZIDPOFIFTB-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000884664306 667584779 /nfs/dbraw/zinc/58/47/79/667584779.db2.gz HZIDSIDWOQMNJE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC1(C)C ZINC000884685254 667589677 /nfs/dbraw/zinc/58/96/77/667589677.db2.gz BXRQKWPLEYOMKV-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[NH2+]1 ZINC000884718051 667598516 /nfs/dbraw/zinc/59/85/16/667598516.db2.gz TXEFUUYQYBAMHQ-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[NH2+]1 ZINC000884819778 667610722 /nfs/dbraw/zinc/61/07/22/667610722.db2.gz JCCKGQOWPAZXJR-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884876409 667618129 /nfs/dbraw/zinc/61/81/29/667618129.db2.gz AUCKAVCOKGVDFL-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO O=S(=O)(NCCCCC[NH+]1CCCCC1)N1CCNCC1 ZINC000923608100 667645347 /nfs/dbraw/zinc/64/53/47/667645347.db2.gz MSWKFSBDTOSMFA-UHFFFAOYSA-N 1 3 318.487 0.382 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000738981975 667689132 /nfs/dbraw/zinc/68/91/32/667689132.db2.gz ATLMTWMFFUURDG-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923620925 667745400 /nfs/dbraw/zinc/74/54/00/667745400.db2.gz HDZHCQGBWDHZGX-HZSPNIEDSA-N 1 3 301.456 0.627 20 0 DCADHO CCN1CCN(CCCNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870866162 667768233 /nfs/dbraw/zinc/76/82/33/667768233.db2.gz RWBROYUXXSRQDV-UHFFFAOYSA-N 1 3 308.470 0.662 20 0 DCADHO CN1CCCC[C@H]1CC[NH+]1CCC(O)(COCCO)CC1 ZINC000886739065 667794758 /nfs/dbraw/zinc/79/47/58/667794758.db2.gz NYRYIHLEIRRKSB-HNNXBMFYSA-N 1 3 300.443 0.697 20 0 DCADHO C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000871362117 667809645 /nfs/dbraw/zinc/80/96/45/667809645.db2.gz WZPNRDFTASWCTQ-ISXOHVOVSA-N 1 3 308.470 0.755 20 0 DCADHO CNC(=O)C1(NCc2ccc3c(c2)C[NH2+]CC3)CCOCC1 ZINC000886880747 667813823 /nfs/dbraw/zinc/81/38/23/667813823.db2.gz BELCCZMYNJZQOG-UHFFFAOYSA-N 1 3 303.406 0.717 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000872189558 667872210 /nfs/dbraw/zinc/87/22/10/667872210.db2.gz IARMBELPYRXQJV-HNNXBMFYSA-N 1 3 324.469 0.661 20 0 DCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302795 667888162 /nfs/dbraw/zinc/88/81/62/667888162.db2.gz MPNOKHHQLXIQPE-FQUUOJAGSA-N 1 3 324.425 0.143 20 0 DCADHO CN(CCO)CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000888008848 667938614 /nfs/dbraw/zinc/93/86/14/667938614.db2.gz MMZFJMCIGNFVDS-UHFFFAOYSA-N 1 3 308.426 0.836 20 0 DCADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889756447 667991160 /nfs/dbraw/zinc/99/11/60/667991160.db2.gz MZDWEURVFYQRSU-DLBZAZTESA-N 1 3 321.465 0.918 20 0 DCADHO O=S(=O)(C(F)F)N1CCC(C[NH2+]CC23CC(C2)CN3)CC1 ZINC000873211941 668066153 /nfs/dbraw/zinc/06/61/53/668066153.db2.gz UGOODEJKXPQVSW-UHFFFAOYSA-N 1 3 323.409 0.592 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000873242386 668067784 /nfs/dbraw/zinc/06/77/84/668067784.db2.gz BAYULGGNXQHNEF-LRDDRELGSA-N 1 3 300.410 0.814 20 0 DCADHO O=C1OC[C@]2(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)COCCN12 ZINC000873248388 668068552 /nfs/dbraw/zinc/06/85/52/668068552.db2.gz DYFCEVDVGHQDIY-CTASWTNQSA-N 1 3 309.410 0.718 20 0 DCADHO CC[NH+]1CCC(N2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC1 ZINC000924440195 668206858 /nfs/dbraw/zinc/20/68/58/668206858.db2.gz HHAJASZICPUKBJ-AWEZNQCLSA-N 1 3 308.426 0.877 20 0 DCADHO COCCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)C1 ZINC000924999719 668262960 /nfs/dbraw/zinc/26/29/60/668262960.db2.gz GKJJYKRUKUCFGA-MGNMYUMUSA-N 1 3 311.470 0.939 20 0 DCADHO C[C@H]1NCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000925669428 668340767 /nfs/dbraw/zinc/34/07/67/668340767.db2.gz BXTAHIOADGNCJR-SDKNFDLMSA-N 1 3 308.470 0.800 20 0 DCADHO O=C1OC[C@]2(CN[C@H]3CC[NH2+]C[C@H]3C3CCCC3)COCCN12 ZINC000925732367 668343250 /nfs/dbraw/zinc/34/32/50/668343250.db2.gz FVNHAOXHQKGIKA-ZOBUZTSGSA-N 1 3 323.437 0.966 20 0 DCADHO CNS(=O)(=O)CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925726639 668343511 /nfs/dbraw/zinc/34/35/11/668343511.db2.gz VDPVUKYTYYWSGC-ZIAGYGMSSA-N 1 3 303.472 0.684 20 0 DCADHO CNS(=O)(=O)CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925726639 668343516 /nfs/dbraw/zinc/34/35/16/668343516.db2.gz VDPVUKYTYYWSGC-ZIAGYGMSSA-N 1 3 303.472 0.684 20 0 DCADHO Cn1ccn2c(CC[NH2+][C@@H]3C[C@H](N)c4ccccc43)nnc2c1=O ZINC000925774337 668347761 /nfs/dbraw/zinc/34/77/61/668347761.db2.gz UPXYEPDKFNYRMM-UONOGXRCSA-N 1 3 324.388 0.705 20 0 DCADHO C1CC1[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CNCCO1 ZINC000925801724 668350367 /nfs/dbraw/zinc/35/03/67/668350367.db2.gz YMLIHWCYYGPIGE-OWCLPIDISA-N 1 3 309.454 0.502 20 0 DCADHO C[NH+](C)C[C@H](N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000876709566 668492853 /nfs/dbraw/zinc/49/28/53/668492853.db2.gz VAEDVDHJNBBJCI-QWHCGFSZSA-N 1 3 310.467 0.890 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876752190 668501537 /nfs/dbraw/zinc/50/15/37/668501537.db2.gz JCQODAMUPVVBMY-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000876752652 668501873 /nfs/dbraw/zinc/50/18/73/668501873.db2.gz VUBKMCYDPVVGRG-HOTGVXAUSA-N 1 3 310.486 0.990 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(CN)cnn2C)C1 ZINC000876774651 668508197 /nfs/dbraw/zinc/50/81/97/668508197.db2.gz CERUNQJEXBUWKE-CQSZACIVSA-N 1 3 323.441 0.452 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876777919 668508527 /nfs/dbraw/zinc/50/85/27/668508527.db2.gz SQQJAQAPAJLULE-DZGCQCFKSA-N 1 3 315.433 0.940 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000876777932 668508543 /nfs/dbraw/zinc/50/85/43/668508543.db2.gz SYDGBSKBMSBSCS-UONOGXRCSA-N 1 3 312.845 0.948 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)c2ccccc2O1 ZINC000876778599 668509133 /nfs/dbraw/zinc/50/91/33/668509133.db2.gz JGFWVYOIWYCFRU-OLZOCXBDSA-N 1 3 306.410 0.231 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000876782637 668510368 /nfs/dbraw/zinc/51/03/68/668510368.db2.gz XXMJTUMFQPRBBD-DEOFCCLISA-N 1 3 308.470 0.540 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCNC(C)(C)C1 ZINC000876871245 668524836 /nfs/dbraw/zinc/52/48/36/668524836.db2.gz HVAVKOZTFLTZHL-CYBMUJFWSA-N 1 3 305.426 0.940 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876876113 668525438 /nfs/dbraw/zinc/52/54/38/668525438.db2.gz KHYWXLLBLCNUTA-SRVKXCTJSA-N 1 3 305.369 0.396 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000876881020 668527104 /nfs/dbraw/zinc/52/71/04/668527104.db2.gz SWNKUTKQZADXSW-RKIWFNSJSA-N 1 3 308.470 0.494 20 0 DCADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H]1CNCCO1 ZINC000876916985 668535236 /nfs/dbraw/zinc/53/52/36/668535236.db2.gz KYJIQYZBWGINQJ-GFCCVEGCSA-N 1 3 324.450 0.637 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000876956357 668542434 /nfs/dbraw/zinc/54/24/34/668542434.db2.gz IAFXGYZWHNEANA-CYBMUJFWSA-N 1 3 305.426 0.731 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1C(F)(F)F ZINC000877370821 668610373 /nfs/dbraw/zinc/61/03/73/668610373.db2.gz GLZCQTCUIIFWRU-GMTAPVOTSA-N 1 3 309.332 0.351 20 0 DCADHO CNC(=O)CC[C@H]1CCCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878612187 668747522 /nfs/dbraw/zinc/74/75/22/668747522.db2.gz XWCDWZJOUSQYEW-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCC3(COC3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930138164 668967460 /nfs/dbraw/zinc/96/74/60/668967460.db2.gz YKDYXZMFHDWFOK-IKGGRYGDSA-N 1 3 323.481 0.892 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1 ZINC000879417565 669031487 /nfs/dbraw/zinc/03/14/87/669031487.db2.gz BJUGUXNSTKTGIV-OAGGEKHMSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=S)NCC[NH+](C)C ZINC000782405115 669097319 /nfs/dbraw/zinc/09/73/19/669097319.db2.gz KABDRQYGLPWIQX-ZDUSSCGKSA-N 1 3 314.499 0.608 20 0 DCADHO C([C@@H]1C[C@H]2COC[C@@H]2O1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284440 669173895 /nfs/dbraw/zinc/17/38/95/669173895.db2.gz SIWGTHSSTIUQGO-XIRDDKMYSA-N 1 3 310.438 0.977 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000931567060 669223525 /nfs/dbraw/zinc/22/35/25/669223525.db2.gz MCMLBASVTUEUBG-QWHCGFSZSA-N 1 3 306.414 0.613 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000931567060 669223529 /nfs/dbraw/zinc/22/35/29/669223529.db2.gz MCMLBASVTUEUBG-QWHCGFSZSA-N 1 3 306.414 0.613 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883417399 669682934 /nfs/dbraw/zinc/68/29/34/669682934.db2.gz YXTWOCRCJLZHDK-INIZCTEOSA-N 1 3 311.470 0.799 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3)CC[C@H]21 ZINC001036896409 670265832 /nfs/dbraw/zinc/26/58/32/670265832.db2.gz OGYQCDUBTHGDBV-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3)CC[C@H]21 ZINC001036896409 670265833 /nfs/dbraw/zinc/26/58/33/670265833.db2.gz OGYQCDUBTHGDBV-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000847332383 670536911 /nfs/dbraw/zinc/53/69/11/670536911.db2.gz QOAQIBXAEZUHEH-APIJFGDWSA-N 1 3 310.442 0.320 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCNc1ncccn1 ZINC000849000331 670747818 /nfs/dbraw/zinc/74/78/18/670747818.db2.gz KJXYUIGTAGVNNP-CYBMUJFWSA-N 1 3 305.430 0.877 20 0 DCADHO CCCN1C[C@H](CNC(=[NH2+])NC[C@@H]2CCCN2CC)CC1=O ZINC000849044167 670754472 /nfs/dbraw/zinc/75/44/72/670754472.db2.gz XHWHPOVOECQBHF-KBPBESRZSA-N 1 3 309.458 0.843 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849592976 670823677 /nfs/dbraw/zinc/82/36/77/670823677.db2.gz OTXSVWQZFDJGQK-QEJZJMRPSA-N 1 3 307.442 0.522 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849613145 670826612 /nfs/dbraw/zinc/82/66/12/670826612.db2.gz PHEAUHFMVMIHRY-NWANDNLSSA-N 1 3 307.442 0.522 20 0 DCADHO CCN(CC)CC(=O)N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858391467 671000110 /nfs/dbraw/zinc/00/01/10/671000110.db2.gz ILPRMMKQGDPARZ-UHFFFAOYSA-N 1 3 306.410 0.564 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000852063905 671081459 /nfs/dbraw/zinc/08/14/59/671081459.db2.gz UCYQEEUZHALCLC-SOUVJXGZSA-N 1 3 310.442 0.633 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000852063905 671081463 /nfs/dbraw/zinc/08/14/63/671081463.db2.gz UCYQEEUZHALCLC-SOUVJXGZSA-N 1 3 310.442 0.633 20 0 DCADHO CCS(=O)(=O)CCN[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000819053811 671090376 /nfs/dbraw/zinc/09/03/76/671090376.db2.gz KQHSBZXVZFIXNP-CYBMUJFWSA-N 1 3 303.472 0.179 20 0 DCADHO CC1CCC(N2CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000852869185 671180086 /nfs/dbraw/zinc/18/00/86/671180086.db2.gz YNKSVDGVNSMGLN-JXQTWKCFSA-N 1 3 308.426 0.813 20 0 DCADHO C[NH+]1CCC(OCC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000821051346 671249087 /nfs/dbraw/zinc/24/90/87/671249087.db2.gz AUXZMSQQSDKGPQ-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO O=C(c1[nH]nc2c1CNCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000825989644 671476906 /nfs/dbraw/zinc/47/69/06/671476906.db2.gz FYHTZDLKRADXTL-UHFFFAOYSA-N 1 3 312.377 0.413 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000827936978 671540230 /nfs/dbraw/zinc/54/02/30/671540230.db2.gz YZHZLZOFCFQLDB-LVQVYYBASA-N 1 3 307.438 0.602 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000830236373 671620304 /nfs/dbraw/zinc/62/03/04/671620304.db2.gz ANXCXPZCJFDLOL-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000830236373 671620306 /nfs/dbraw/zinc/62/03/06/671620306.db2.gz ANXCXPZCJFDLOL-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1 ZINC000841051294 671910652 /nfs/dbraw/zinc/91/06/52/671910652.db2.gz OXLQOFQDJRPPNL-CYBMUJFWSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCCCC1 ZINC000842014544 671973958 /nfs/dbraw/zinc/97/39/58/671973958.db2.gz COMHBDWOCSUTBJ-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCCS(=O)(=O)N1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396603982 685270041 /nfs/dbraw/zinc/27/00/41/685270041.db2.gz YJFONACJEKVTMG-JSGCOSHPSA-N 1 3 303.472 0.921 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000953907193 685896215 /nfs/dbraw/zinc/89/62/15/685896215.db2.gz ZNOSQTAELFFFMT-BPLDGKMQSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000953907193 685896218 /nfs/dbraw/zinc/89/62/18/685896218.db2.gz ZNOSQTAELFFFMT-BPLDGKMQSA-N 1 3 322.453 0.090 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC000955338222 686371210 /nfs/dbraw/zinc/37/12/10/686371210.db2.gz BCAZQLDVWVSPEL-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC000955338222 686371217 /nfs/dbraw/zinc/37/12/17/686371217.db2.gz BCAZQLDVWVSPEL-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000955344200 686377224 /nfs/dbraw/zinc/37/72/24/686377224.db2.gz KAERXOIBDVGMDQ-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000955344200 686377231 /nfs/dbraw/zinc/37/72/31/686377231.db2.gz KAERXOIBDVGMDQ-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000956021808 686597923 /nfs/dbraw/zinc/59/79/23/686597923.db2.gz RIYIGWMSKBFUIF-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000956021808 686597925 /nfs/dbraw/zinc/59/79/25/686597925.db2.gz RIYIGWMSKBFUIF-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000968912910 690423328 /nfs/dbraw/zinc/42/33/28/690423328.db2.gz WZECXVAZXMOLRS-HZPDHXFCSA-N 1 3 317.437 0.816 20 0 DCADHO O=C(N[C@H]1CCC[N@@H+](CCO)C1)c1ccn(-c2ccncc2)n1 ZINC001007906204 690766328 /nfs/dbraw/zinc/76/63/28/690766328.db2.gz GNXZFSHHSCLFRY-ZDUSSCGKSA-N 1 3 315.377 0.454 20 0 DCADHO O=C(N[C@H]1CCC[N@H+](CCO)C1)c1ccn(-c2ccncc2)n1 ZINC001007906204 690766332 /nfs/dbraw/zinc/76/63/32/690766332.db2.gz GNXZFSHHSCLFRY-ZDUSSCGKSA-N 1 3 315.377 0.454 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001011159547 691479396 /nfs/dbraw/zinc/47/93/96/691479396.db2.gz XXCRVRBYTMPKRW-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001011159547 691479399 /nfs/dbraw/zinc/47/93/99/691479399.db2.gz XXCRVRBYTMPKRW-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001014483037 692028868 /nfs/dbraw/zinc/02/88/68/692028868.db2.gz KENUNCHCISTFFV-IJEWVQPXSA-N 1 3 319.453 0.493 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001014483037 692028871 /nfs/dbraw/zinc/02/88/71/692028871.db2.gz KENUNCHCISTFFV-IJEWVQPXSA-N 1 3 319.453 0.493 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018857311 693264772 /nfs/dbraw/zinc/26/47/72/693264772.db2.gz UGOVXADDVTYYNT-GOEBONIOSA-N 1 3 317.437 0.452 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCOCC2)C1)C1CC1 ZINC001018966480 693299903 /nfs/dbraw/zinc/29/99/03/693299903.db2.gz JTYODEBKQHPHNG-JKSUJKDBSA-N 1 3 309.454 0.944 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC001018966286 693299929 /nfs/dbraw/zinc/29/99/29/693299929.db2.gz FWPOJEGSRIFLHI-GJZGRUSLSA-N 1 3 305.426 0.451 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001019032019 693329124 /nfs/dbraw/zinc/32/91/24/693329124.db2.gz AIOWFVMFDBIHQQ-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001019088029 693349916 /nfs/dbraw/zinc/34/99/16/693349916.db2.gz KHCIABQIMVIHSQ-AWEZNQCLSA-N 1 3 317.437 0.739 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001019438655 693474867 /nfs/dbraw/zinc/47/48/67/693474867.db2.gz QYMHCTPFQMBVKQ-OLZOCXBDSA-N 1 3 319.409 0.059 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019469971 693483659 /nfs/dbraw/zinc/48/36/59/693483659.db2.gz XKGSTVWPEXCAGM-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001019560677 693522455 /nfs/dbraw/zinc/52/24/55/693522455.db2.gz RXUABWRXQPQMRN-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC001020171087 693721412 /nfs/dbraw/zinc/72/14/12/693721412.db2.gz MNKNCCMWQJQHTM-RGCMKSIDSA-N 1 3 305.426 0.497 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC001020171087 693721413 /nfs/dbraw/zinc/72/14/13/693721413.db2.gz MNKNCCMWQJQHTM-RGCMKSIDSA-N 1 3 305.426 0.497 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072678844 694651435 /nfs/dbraw/zinc/65/14/35/694651435.db2.gz AEIBUHSIUJUCTJ-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001072800951 694666980 /nfs/dbraw/zinc/66/69/80/694666980.db2.gz ILRKEPBJYLZHNW-JSGCOSHPSA-N 1 3 321.425 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001072800951 694666982 /nfs/dbraw/zinc/66/69/82/694666982.db2.gz ILRKEPBJYLZHNW-JSGCOSHPSA-N 1 3 321.425 0.257 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073454971 694728836 /nfs/dbraw/zinc/72/88/36/694728836.db2.gz VOGYJPWIQVUDMK-UHFFFAOYSA-N 1 3 317.433 0.888 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073454971 694728837 /nfs/dbraw/zinc/72/88/37/694728837.db2.gz VOGYJPWIQVUDMK-UHFFFAOYSA-N 1 3 317.433 0.888 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)[C@@H]1C)N(C)C ZINC001074710763 694918401 /nfs/dbraw/zinc/91/84/01/694918401.db2.gz FENPNPNECQAGNQ-IGQOVBAYSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001074877854 694928056 /nfs/dbraw/zinc/92/80/56/694928056.db2.gz PLYXXQYJTRRBAI-YCPHGPKFSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001074877854 694928057 /nfs/dbraw/zinc/92/80/57/694928057.db2.gz PLYXXQYJTRRBAI-YCPHGPKFSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H]1C ZINC001074877854 694928058 /nfs/dbraw/zinc/92/80/58/694928058.db2.gz PLYXXQYJTRRBAI-YCPHGPKFSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CC1 ZINC001076418531 695021067 /nfs/dbraw/zinc/02/10/67/695021067.db2.gz CCIRATVIONKYFQ-JKSUJKDBSA-N 1 3 309.454 0.632 20 0 DCADHO CC1(C)CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001076712925 695040015 /nfs/dbraw/zinc/04/00/15/695040015.db2.gz HIFJVKKGJOUJGF-CHWSQXEVSA-N 1 3 320.393 0.393 20 0 DCADHO CC1(C)CC(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)C1 ZINC001076712925 695040016 /nfs/dbraw/zinc/04/00/16/695040016.db2.gz HIFJVKKGJOUJGF-CHWSQXEVSA-N 1 3 320.393 0.393 20 0 DCADHO C[C@@H](CCC[NH2+][C@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001571269549 1162688577 /nfs/dbraw/zinc/68/85/77/1162688577.db2.gz BERUHCAYZWFMTB-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001571379918 1162723060 /nfs/dbraw/zinc/72/30/60/1162723060.db2.gz FMLFQMRVRVAQKM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001571549914 1162806069 /nfs/dbraw/zinc/80/60/69/1162806069.db2.gz IOYGNCIIPXFVQZ-HUUCEWRRSA-N 1 3 322.457 0.493 20 0 DCADHO O[C@@H](CN[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000398292289 1158115161 /nfs/dbraw/zinc/11/51/61/1158115161.db2.gz MAJSVIMIYRPBHT-WNRNVDISSA-N 1 3 312.417 0.964 20 0 DCADHO O[C@@H](CN[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000398292289 1158115165 /nfs/dbraw/zinc/11/51/65/1158115165.db2.gz MAJSVIMIYRPBHT-WNRNVDISSA-N 1 3 312.417 0.964 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](O)CNCCF)CC1 ZINC001755791306 1158261596 /nfs/dbraw/zinc/26/15/96/1158261596.db2.gz KNQRAALDAYQCSY-CQSZACIVSA-N 1 3 303.422 0.485 20 0 DCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cccc2c1OCCNC2 ZINC001648986855 1158271497 /nfs/dbraw/zinc/27/14/97/1158271497.db2.gz XDQAMLCRMGHNGT-STQMWFEESA-N 1 3 307.369 0.941 20 0 DCADHO CN(CCNCc1cncc(F)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001691558662 1158339027 /nfs/dbraw/zinc/33/90/27/1158339027.db2.gz QDPXGWBBJUZLND-UHFFFAOYSA-N 1 3 306.385 0.865 20 0 DCADHO COCC[C@@H]1CNCCN1C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001649129549 1158729977 /nfs/dbraw/zinc/72/99/77/1158729977.db2.gz CSQNLVAWLXAWRT-GDBMZVCRSA-N 1 3 303.406 0.710 20 0 DCADHO CN1CCC(CO)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001187301459 1158877113 /nfs/dbraw/zinc/87/71/13/1158877113.db2.gz CLVVVTPRHJJHBC-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001446418304 1159407131 /nfs/dbraw/zinc/40/71/31/1159407131.db2.gz LZRXLTSHFHVUCX-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCNC(=O)C1CC1 ZINC001567021579 1160210632 /nfs/dbraw/zinc/21/06/32/1160210632.db2.gz DHXKTLNHSGKNQJ-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001568300186 1160624481 /nfs/dbraw/zinc/62/44/81/1160624481.db2.gz MIAILAUJRCROSY-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568872381 1160833884 /nfs/dbraw/zinc/83/38/84/1160833884.db2.gz WOMIVSIDUUEBDX-RDFMZFSFSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001568948321 1160889138 /nfs/dbraw/zinc/88/91/38/1160889138.db2.gz OBQPYBYVKKLZPL-XQJDBVBESA-N 1 3 322.453 0.244 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@@H]2CCN(C)C2=O)CCC1 ZINC001569209713 1160979590 /nfs/dbraw/zinc/97/95/90/1160979590.db2.gz HSKOSPDLIIGLNY-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001569229763 1160986843 /nfs/dbraw/zinc/98/68/43/1160986843.db2.gz HCTKPQKWVHJWJB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2CCC[C@H]2CNCCF)CC1 ZINC001569559378 1161148253 /nfs/dbraw/zinc/14/82/53/1161148253.db2.gz KKQDPKLRPSWTFW-ZDUSSCGKSA-N 1 3 301.406 0.647 20 0 DCADHO COCC[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001570308428 1161558888 /nfs/dbraw/zinc/55/88/88/1161558888.db2.gz ULRHFHIZYYGIDY-UHFFFAOYSA-N 1 3 310.398 0.162 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC1CC[NH2+]CC1 ZINC001576574573 1164400272 /nfs/dbraw/zinc/40/02/72/1164400272.db2.gz UYZJHSLAQQRFJO-CYBMUJFWSA-N 1 3 310.442 0.345 20 0 DCADHO CC[C@H](C)N[C@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccco1 ZINC001577004547 1164579733 /nfs/dbraw/zinc/57/97/33/1164579733.db2.gz WQVCIDSEVHYGMR-NWDGAFQWSA-N 1 3 320.397 0.689 20 0 DCADHO CC[C@H](NC[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@H](O)C(F)F ZINC001577175840 1164620674 /nfs/dbraw/zinc/62/06/74/1164620674.db2.gz JPSAHSBMGNCTOG-WXHSDQCUSA-N 1 3 304.385 0.840 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(n3cc(CN)nn3)C2)C1 ZINC001577534343 1164716703 /nfs/dbraw/zinc/71/67/03/1164716703.db2.gz WGGBSXDGBNUFGC-GFCCVEGCSA-N 1 3 306.414 0.242 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC(n3cc(CN)nn3)C2)C1 ZINC001577534343 1164716710 /nfs/dbraw/zinc/71/67/10/1164716710.db2.gz WGGBSXDGBNUFGC-GFCCVEGCSA-N 1 3 306.414 0.242 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1CNCc1c[nH]nn1 ZINC001577872695 1164820055 /nfs/dbraw/zinc/82/00/55/1164820055.db2.gz IPSODCFDXINOOS-HNNXBMFYSA-N 1 3 320.441 0.761 20 0 DCADHO CN(CCNC(=O)c1cnnn1C1C[NH2+]C1)Cc1ccccc1 ZINC001578474310 1165029319 /nfs/dbraw/zinc/02/93/19/1165029319.db2.gz VMUCDUILXWSIIH-UHFFFAOYSA-N 1 3 314.393 0.284 20 0 DCADHO C[NH2+]C[C@@H](C)Cn1c(C)nnc1N1CCN(CC2CC2)CC1 ZINC001578632090 1165072154 /nfs/dbraw/zinc/07/21/54/1165072154.db2.gz HTCPVWOQHSRGMD-CYBMUJFWSA-N 1 3 306.458 0.974 20 0 DCADHO COC(=O)CCN1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H](C)C1 ZINC001578807597 1165121825 /nfs/dbraw/zinc/12/18/25/1165121825.db2.gz OHRNCRWJIALQDM-UONOGXRCSA-N 1 3 311.426 0.077 20 0 DCADHO COc1ccc2c(c1)C[C@@H](CN(C)CCN1CC[NH2+]CC1)O2 ZINC001579243407 1165249522 /nfs/dbraw/zinc/24/95/22/1165249522.db2.gz CJEGWWXQOOUDAU-INIZCTEOSA-N 1 3 305.422 0.836 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CNCCO[C@@H]2CCCCO2)cnn1C ZINC001579530291 1165337858 /nfs/dbraw/zinc/33/78/58/1165337858.db2.gz STTDNZAULHGLLC-GOEBONIOSA-N 1 3 310.442 0.979 20 0 DCADHO Cc1c(C[NH3+])c(NC(=O)N[C@H]2CCCN(CCCO)C2)nn1C ZINC001579531635 1165340104 /nfs/dbraw/zinc/34/01/04/1165340104.db2.gz XWYJWCGFMAXQAQ-LBPRGKRZSA-N 1 3 324.429 0.156 20 0 DCADHO NC1(CC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)COC1 ZINC001580143743 1165517239 /nfs/dbraw/zinc/51/72/39/1165517239.db2.gz FDZJPPWBBOEUBR-AWEZNQCLSA-N 1 3 305.378 0.310 20 0 DCADHO NC1(CC(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)COC1 ZINC001580143743 1165517245 /nfs/dbraw/zinc/51/72/45/1165517245.db2.gz FDZJPPWBBOEUBR-AWEZNQCLSA-N 1 3 305.378 0.310 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@@H]1CN(C3CC3)C(=O)O1)CC2 ZINC001580257117 1165550472 /nfs/dbraw/zinc/55/04/72/1165550472.db2.gz AHXLYHIMNRUFRG-UONOGXRCSA-N 1 3 309.410 0.799 20 0 DCADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)C1 ZINC001580402198 1165593934 /nfs/dbraw/zinc/59/39/34/1165593934.db2.gz OFBGHYSHCLDIAI-LMWHNAIISA-N 1 3 307.438 0.608 20 0 DCADHO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CNCc2ccccc21 ZINC001580590650 1165647381 /nfs/dbraw/zinc/64/73/81/1165647381.db2.gz LJAXADDBWABGFW-GOEBONIOSA-N 1 3 303.406 0.446 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001580590650 1165647384 /nfs/dbraw/zinc/64/73/84/1165647384.db2.gz LJAXADDBWABGFW-GOEBONIOSA-N 1 3 303.406 0.446 20 0 DCADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1CC[NH3+] ZINC001605416737 1169916129 /nfs/dbraw/zinc/91/61/29/1169916129.db2.gz QCWUGUKVDQKRSX-DFBGVHRSSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1CC[NH3+] ZINC001605416737 1169916134 /nfs/dbraw/zinc/91/61/34/1169916134.db2.gz QCWUGUKVDQKRSX-DFBGVHRSSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1CC[NH3+] ZINC001605416737 1169916137 /nfs/dbraw/zinc/91/61/37/1169916137.db2.gz QCWUGUKVDQKRSX-DFBGVHRSSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1CC[NH3+] ZINC001605416737 1169916146 /nfs/dbraw/zinc/91/61/46/1169916146.db2.gz QCWUGUKVDQKRSX-DFBGVHRSSA-N 1 3 316.409 0.817 20 0 DCADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001645915884 1172182593 /nfs/dbraw/zinc/18/25/93/1172182593.db2.gz PAPDCTBPYRFWHT-GBJTYRQASA-N 1 3 310.442 0.320 20 0 DCADHO [NH3+]CCc1ccc2c(c1)CCCN2C(=O)C[C@H]1CNCCO1 ZINC001646828483 1172554480 /nfs/dbraw/zinc/55/44/80/1172554480.db2.gz UFAZHCDXDFSUEQ-HNNXBMFYSA-N 1 3 303.406 0.846 20 0 DCADHO COC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCCOC1 ZINC001647412590 1172870144 /nfs/dbraw/zinc/87/01/44/1172870144.db2.gz NRJSSCAIVOZIHV-ILXRZTDVSA-N 1 3 313.442 0.215 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001647563202 1172973663 /nfs/dbraw/zinc/97/36/63/1172973663.db2.gz YBYHEYUVLNLEOZ-STQMWFEESA-N 1 3 324.425 0.065 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(N2CCN(CC)CC2)C1 ZINC001649348881 1173124583 /nfs/dbraw/zinc/12/45/83/1173124583.db2.gz SZJKYIJAJIJCES-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(N2CCN(CC)CC2)C1 ZINC001649348881 1173124586 /nfs/dbraw/zinc/12/45/86/1173124586.db2.gz SZJKYIJAJIJCES-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)N1CCN(CCC[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC001649791462 1173227244 /nfs/dbraw/zinc/22/72/44/1173227244.db2.gz TYXCDBFHKAZOSH-UHFFFAOYSA-N 1 3 311.474 0.535 20 0 DCADHO CC[C@@H]([NH3+])C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001649846487 1173255581 /nfs/dbraw/zinc/25/55/81/1173255581.db2.gz GOOVDFOBNAANHS-MRXNPFEDSA-N 1 3 304.438 0.788 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001650159308 1173489161 /nfs/dbraw/zinc/48/91/61/1173489161.db2.gz LMCIDAITAGUYPN-KBXIAJHMSA-N 1 3 310.442 0.394 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@H]1C[NH3+] ZINC001650172852 1173496926 /nfs/dbraw/zinc/49/69/26/1173496926.db2.gz KMJMLUPOFYIBPL-YCPHGPKFSA-N 1 3 324.469 0.866 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001650184739 1173504070 /nfs/dbraw/zinc/50/40/70/1173504070.db2.gz YLJVAOKVKZTYBP-UKRRQHHQSA-N 1 3 324.469 0.879 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)NC[C@H]1CCCCC[NH2+]1 ZINC001650185207 1173504818 /nfs/dbraw/zinc/50/48/18/1173504818.db2.gz LBVRDEBAUISFIA-HUUCEWRRSA-N 1 3 312.458 0.665 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001650388334 1173609635 /nfs/dbraw/zinc/60/96/35/1173609635.db2.gz BGWLJVDOXAYIGD-CABCVRRESA-N 1 3 304.438 0.641 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4n(n3)CCC[C@H]4N)[C@@H]2C1 ZINC001650436758 1173640469 /nfs/dbraw/zinc/64/04/69/1173640469.db2.gz ISLGBNKTWBXUND-LOWDOPEQSA-N 1 3 303.410 0.747 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4n(n3)CCC[C@H]4N)[C@@H]2C1 ZINC001650436758 1173640470 /nfs/dbraw/zinc/64/04/70/1173640470.db2.gz ISLGBNKTWBXUND-LOWDOPEQSA-N 1 3 303.410 0.747 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001664142808 1174401651 /nfs/dbraw/zinc/40/16/51/1174401651.db2.gz QOOJWWUDFWHGTH-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)NC2CC2)CC[N@H+]1C ZINC001664142808 1174401656 /nfs/dbraw/zinc/40/16/56/1174401656.db2.gz QOOJWWUDFWHGTH-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCO[C@@H]1CC1(F)F ZINC001668745877 1174830304 /nfs/dbraw/zinc/83/03/04/1174830304.db2.gz NVXSNVUNGJCHFJ-LLGAQUFESA-N 1 3 317.380 0.767 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001669001211 1174875001 /nfs/dbraw/zinc/87/50/01/1174875001.db2.gz MPHVKKWZCJBSSF-KTRBRXNASA-N 1 3 310.442 0.067 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC[C@H]1CCOC1 ZINC001669162711 1174902659 /nfs/dbraw/zinc/90/26/59/1174902659.db2.gz QISUNKQLSDEJBF-HSWBROFVSA-N 1 3 306.410 0.949 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)[NH+]1CCCCC1 ZINC001669208225 1174909743 /nfs/dbraw/zinc/90/97/43/1174909743.db2.gz RKBBLHFJSQPWSS-ICWYTKJFSA-N 1 3 324.469 0.633 20 0 DCADHO Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001670042043 1174974089 /nfs/dbraw/zinc/97/40/89/1174974089.db2.gz QKPYFQAJAKPPIE-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001686785446 1176223832 /nfs/dbraw/zinc/22/38/32/1176223832.db2.gz NGNBUIYBWGHNJA-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001686785446 1176223834 /nfs/dbraw/zinc/22/38/34/1176223834.db2.gz NGNBUIYBWGHNJA-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN2CCN(CCCF)CC2)C1 ZINC001690068593 1177159557 /nfs/dbraw/zinc/15/95/57/1177159557.db2.gz SJHRJSBQHQPWEB-OAHLLOKOSA-N 1 3 314.449 0.422 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCCN2CCN(CCCF)CC2)C1 ZINC001690068593 1177159561 /nfs/dbraw/zinc/15/95/61/1177159561.db2.gz SJHRJSBQHQPWEB-OAHLLOKOSA-N 1 3 314.449 0.422 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001690231336 1177195897 /nfs/dbraw/zinc/19/58/97/1177195897.db2.gz VXITWUSZFQKDAY-AWEZNQCLSA-N 1 3 313.442 0.324 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001690431697 1177241406 /nfs/dbraw/zinc/24/14/06/1177241406.db2.gz OJTCXTWTOVGPSC-OAHLLOKOSA-N 1 3 322.457 0.448 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCOCC2CC2)C1 ZINC001690730668 1177312722 /nfs/dbraw/zinc/31/27/22/1177312722.db2.gz RGNULXASXIBFJO-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2CNCCF)cn1 ZINC001699760715 1178278470 /nfs/dbraw/zinc/27/84/70/1178278470.db2.gz ZXHXZFQPSSOVJY-AWEZNQCLSA-N 1 3 311.405 0.608 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001699763448 1178280282 /nfs/dbraw/zinc/28/02/82/1178280282.db2.gz XVEUZWCZZZEGRQ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CCOC2CCC2)C1 ZINC001700162139 1178507893 /nfs/dbraw/zinc/50/78/93/1178507893.db2.gz NYVMAAGWDCFXEM-OAHLLOKOSA-N 1 3 322.409 0.338 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCNC(=O)CC[NH+](C)C ZINC001703181184 1179376072 /nfs/dbraw/zinc/37/60/72/1179376072.db2.gz FROBJMKAHVHPNF-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCNC(=O)CN2CCCC2)C1 ZINC001703374701 1179508745 /nfs/dbraw/zinc/50/87/45/1179508745.db2.gz JGBWMDMXRQMMSU-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCNC(=O)CN2CCCC2)C1 ZINC001703374701 1179508749 /nfs/dbraw/zinc/50/87/49/1179508749.db2.gz JGBWMDMXRQMMSU-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001703413281 1179529427 /nfs/dbraw/zinc/52/94/27/1179529427.db2.gz YCKGQIIWGFYNKJ-UHFFFAOYSA-N 1 3 321.425 0.225 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CCn2cccn2)C1 ZINC001707410030 1180493139 /nfs/dbraw/zinc/49/31/39/1180493139.db2.gz QDJIAKHMOGRNAG-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CCn2cccn2)C1 ZINC001707410030 1180493144 /nfs/dbraw/zinc/49/31/44/1180493144.db2.gz QDJIAKHMOGRNAG-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H]1CCNC1=O ZINC001707460305 1180520491 /nfs/dbraw/zinc/52/04/91/1180520491.db2.gz AGLSGIRSOJNUDJ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H]1CCNC1=O ZINC001707460305 1180520496 /nfs/dbraw/zinc/52/04/96/1180520496.db2.gz AGLSGIRSOJNUDJ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000236890363 1180743445 /nfs/dbraw/zinc/74/34/45/1180743445.db2.gz NXFPHMWOQPVZJJ-AWEZNQCLSA-N 1 3 304.438 0.901 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001713666353 1181009137 /nfs/dbraw/zinc/00/91/37/1181009137.db2.gz OLIIFVYUDFCRKQ-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715697098 1181946708 /nfs/dbraw/zinc/94/67/08/1181946708.db2.gz MEUUWBQNPHMDGN-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001715697098 1181946711 /nfs/dbraw/zinc/94/67/11/1181946711.db2.gz MEUUWBQNPHMDGN-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001715724760 1181960218 /nfs/dbraw/zinc/96/02/18/1181960218.db2.gz XOJFKQHDAXPGMO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccnn1C)N(C)C ZINC001716148678 1182220686 /nfs/dbraw/zinc/22/06/86/1182220686.db2.gz PIJOMNBTLJZUCY-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001716195613 1182244904 /nfs/dbraw/zinc/24/49/04/1182244904.db2.gz JZYLXJZYTPOGHD-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001716195613 1182244907 /nfs/dbraw/zinc/24/49/07/1182244907.db2.gz JZYLXJZYTPOGHD-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO CCN1CC[C@@H](NC/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001716306026 1182321239 /nfs/dbraw/zinc/32/12/39/1182321239.db2.gz UWPRYWHBYKVZQV-PEGRTIRESA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@@H]1CCCNC1=O)[NH+](C)C ZINC001716306639 1182321289 /nfs/dbraw/zinc/32/12/89/1182321289.db2.gz ZTKVWHHBNDWMFU-QJTIAFMVSA-N 1 3 310.442 0.113 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001716453205 1182395536 /nfs/dbraw/zinc/39/55/36/1182395536.db2.gz XIOYYULUEUHLIH-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001716461074 1182399892 /nfs/dbraw/zinc/39/98/92/1182399892.db2.gz WLYCPCMCOSRVIT-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](F)CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001717322987 1182781444 /nfs/dbraw/zinc/78/14/44/1182781444.db2.gz KFHBZVXEGFGFJD-GFCCVEGCSA-N 1 3 312.389 0.643 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001724718233 1184533233 /nfs/dbraw/zinc/53/32/33/1184533233.db2.gz FKVQXBORMFWBEG-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001724751657 1184542357 /nfs/dbraw/zinc/54/23/57/1184542357.db2.gz SYORJEQFHYZLFM-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001724815303 1184570351 /nfs/dbraw/zinc/57/03/51/1184570351.db2.gz YIXHRRIIKASHBJ-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO O=C(N1CCO[C@@H](CNC/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001724820765 1184574901 /nfs/dbraw/zinc/57/49/01/1184574901.db2.gz DDBLKGURFRXINM-RRROIERXSA-N 1 3 313.829 0.652 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001724922753 1184621990 /nfs/dbraw/zinc/62/19/90/1184621990.db2.gz NNJNQPOJURYPIF-ZIAGYGMSSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)CCOCCO ZINC001725182100 1184711005 /nfs/dbraw/zinc/71/10/05/1184711005.db2.gz YQLIZMWKOWNVQM-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)CCOCCO ZINC001725182100 1184711010 /nfs/dbraw/zinc/71/10/10/1184711010.db2.gz YQLIZMWKOWNVQM-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001725304908 1184762266 /nfs/dbraw/zinc/76/22/66/1184762266.db2.gz BMEUDOMVNDNHRD-QKDCVEJESA-N 1 3 309.454 0.801 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001725304908 1184762273 /nfs/dbraw/zinc/76/22/73/1184762273.db2.gz BMEUDOMVNDNHRD-QKDCVEJESA-N 1 3 309.454 0.801 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001725391803 1184800892 /nfs/dbraw/zinc/80/08/92/1184800892.db2.gz VFWIUEDODZAEOA-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCOCC2CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001725597337 1184904762 /nfs/dbraw/zinc/90/47/62/1184904762.db2.gz HXGDJWLLYMUCGR-WFASDCNBSA-N 1 3 306.410 0.958 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731940232 1185594153 /nfs/dbraw/zinc/59/41/53/1185594153.db2.gz WFCJWWFAAVWWBR-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CCO)C1CCCCC1 ZINC001732478333 1185830833 /nfs/dbraw/zinc/83/08/33/1185830833.db2.gz SQPKUQYCXWRURK-HNNXBMFYSA-N 1 3 308.426 0.908 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001732728702 1185938302 /nfs/dbraw/zinc/93/83/02/1185938302.db2.gz LDWWEBNTJMLDML-QWHCGFSZSA-N 1 3 308.430 0.141 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001732792542 1185972244 /nfs/dbraw/zinc/97/22/44/1185972244.db2.gz AAXFGUWKORLZFT-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001732884486 1186035602 /nfs/dbraw/zinc/03/56/02/1186035602.db2.gz BRLRFBACIXCJOT-NNTXTVRGSA-N 1 3 322.453 0.354 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001732945010 1186073901 /nfs/dbraw/zinc/07/39/01/1186073901.db2.gz YVICUGIHLVTTSO-MHKRFPNSSA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001732945010 1186073905 /nfs/dbraw/zinc/07/39/05/1186073905.db2.gz YVICUGIHLVTTSO-MHKRFPNSSA-N 1 3 324.469 0.600 20 0 DCADHO CCN(C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001733091192 1186133615 /nfs/dbraw/zinc/13/36/15/1186133615.db2.gz CEXBPARRBBGXPT-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)C1=O ZINC001733128634 1186152500 /nfs/dbraw/zinc/15/25/00/1186152500.db2.gz LEFKQQZNVKRNKH-AWEZNQCLSA-N 1 3 321.425 0.400 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001733668696 1186395227 /nfs/dbraw/zinc/39/52/27/1186395227.db2.gz ZVWWFHWZACJRGH-KGLIPLIRSA-N 1 3 306.410 0.817 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC/C=C\Cl)C2)C1 ZINC001733751598 1186431799 /nfs/dbraw/zinc/43/17/99/1186431799.db2.gz YCNKQBSYAFZIQJ-GQYCNYHZSA-N 1 3 301.818 0.508 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC/C=C\Cl)C2)C1 ZINC001733751598 1186431802 /nfs/dbraw/zinc/43/18/02/1186431802.db2.gz YCNKQBSYAFZIQJ-GQYCNYHZSA-N 1 3 301.818 0.508 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCOc2ccccc2)C1 ZINC001734385668 1186636706 /nfs/dbraw/zinc/63/67/06/1186636706.db2.gz UCOXQZWITZZYAY-CABCVRRESA-N 1 3 321.421 0.084 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCOc2ccccc2)C1 ZINC001734385668 1186636710 /nfs/dbraw/zinc/63/67/10/1186636710.db2.gz UCOXQZWITZZYAY-CABCVRRESA-N 1 3 321.421 0.084 20 0 DCADHO CN(C[C@H](O)C[NH2+]C/C=C\Cl)C(=O)CN(C)C1CCC1 ZINC001734518755 1186673744 /nfs/dbraw/zinc/67/37/44/1186673744.db2.gz LXKONWCXEMBSBQ-LLPBQKLSSA-N 1 3 303.834 0.632 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001742508016 1187996489 /nfs/dbraw/zinc/99/64/89/1187996489.db2.gz RGQMHOIMDGJPCI-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001742508016 1187996493 /nfs/dbraw/zinc/99/64/93/1187996493.db2.gz RGQMHOIMDGJPCI-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001742783804 1188051368 /nfs/dbraw/zinc/05/13/68/1188051368.db2.gz JEPHWCMSQQLCKB-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001742783804 1188051373 /nfs/dbraw/zinc/05/13/73/1188051373.db2.gz JEPHWCMSQQLCKB-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001742900284 1188074240 /nfs/dbraw/zinc/07/42/40/1188074240.db2.gz CDUIKSIQMXQNAF-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001742900284 1188074243 /nfs/dbraw/zinc/07/42/43/1188074243.db2.gz CDUIKSIQMXQNAF-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCCNC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001753252256 1188549770 /nfs/dbraw/zinc/54/97/70/1188549770.db2.gz QGVYVKPMVPHTBL-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001753542025 1188615613 /nfs/dbraw/zinc/61/56/13/1188615613.db2.gz ASSFYZCQQRKQDU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CC(N)=O)C2)CC1 ZINC001753560643 1188617643 /nfs/dbraw/zinc/61/76/43/1188617643.db2.gz ZMCZDWMLMNKLJW-HNNXBMFYSA-N 1 3 324.469 0.422 20 0 DCADHO CC(C)OC[C@@H](O)CNCC(=O)NCC[NH+]1CCCCCC1 ZINC001772049899 1190418802 /nfs/dbraw/zinc/41/88/02/1190418802.db2.gz KLOVQFHDCGQRJF-HNNXBMFYSA-N 1 3 315.458 0.354 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001771896744 1190545299 /nfs/dbraw/zinc/54/52/99/1190545299.db2.gz XZCVLUYDMJSBTL-GFCCVEGCSA-N 1 3 322.400 0.451 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001772242079 1190640876 /nfs/dbraw/zinc/64/08/76/1190640876.db2.gz PEDJGCNGOICINX-GDLCADMTSA-N 1 3 316.405 0.769 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001772387527 1190671370 /nfs/dbraw/zinc/67/13/70/1190671370.db2.gz RMMIFHCFFWSWTR-BFHYXJOUSA-N 1 3 320.441 0.906 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001772387527 1190671372 /nfs/dbraw/zinc/67/13/72/1190671372.db2.gz RMMIFHCFFWSWTR-BFHYXJOUSA-N 1 3 320.441 0.906 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC001772433737 1190681575 /nfs/dbraw/zinc/68/15/75/1190681575.db2.gz YXQJTCMYILSYGP-OAHLLOKOSA-N 1 3 324.469 0.977 20 0 DCADHO Cc1cccc(OC[C@H](O)C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000397496150 1190703496 /nfs/dbraw/zinc/70/34/96/1190703496.db2.gz QCQKSGZSPGGZIX-OAHLLOKOSA-N 1 3 308.422 0.781 20 0 DCADHO C[C@H]1COCCN1CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001576852732 1164494387 /nfs/dbraw/zinc/49/43/87/1164494387.db2.gz FFWAKXXIJAMLRA-GJZGRUSLSA-N 1 3 312.458 0.027 20 0 DCADHO COc1cc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)ccn1 ZINC001127475666 751413421 /nfs/dbraw/zinc/41/34/21/751413421.db2.gz YKGSLMYAWKZKFS-OAHLLOKOSA-N 1 3 318.421 0.638 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1 ZINC001106910486 751552383 /nfs/dbraw/zinc/55/23/83/751552383.db2.gz ABGYLKIZHLPLAD-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659470 751609547 /nfs/dbraw/zinc/60/95/47/751609547.db2.gz CDSBXPQCVPGQRC-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659470 751609553 /nfs/dbraw/zinc/60/95/53/751609553.db2.gz CDSBXPQCVPGQRC-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127689930 751637798 /nfs/dbraw/zinc/63/77/98/751637798.db2.gz CJCXWPXDPNENCX-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001127689930 751637801 /nfs/dbraw/zinc/63/78/01/751637801.db2.gz CJCXWPXDPNENCX-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001127690202 751637858 /nfs/dbraw/zinc/63/78/58/751637858.db2.gz HEEPNHIEAWVNQX-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001127690202 751637862 /nfs/dbraw/zinc/63/78/62/751637862.db2.gz HEEPNHIEAWVNQX-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001127701453 751644128 /nfs/dbraw/zinc/64/41/28/751644128.db2.gz OWPTUZMHCSYNIW-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001127701453 751644129 /nfs/dbraw/zinc/64/41/29/751644129.db2.gz OWPTUZMHCSYNIW-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO COCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001089869317 751713133 /nfs/dbraw/zinc/71/31/33/751713133.db2.gz JQIVQCPBLMTCPC-UKMLZYKCSA-N 1 3 318.421 0.767 20 0 DCADHO COCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001089869317 751713139 /nfs/dbraw/zinc/71/31/39/751713139.db2.gz JQIVQCPBLMTCPC-UKMLZYKCSA-N 1 3 318.421 0.767 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1 ZINC001107038647 751785512 /nfs/dbraw/zinc/78/55/12/751785512.db2.gz BPQXEFJJCXTACT-HUUCEWRRSA-N 1 3 321.469 0.944 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001107037263 751786263 /nfs/dbraw/zinc/78/62/63/751786263.db2.gz ZOJUYJBYGVQBKC-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)C(N)=O ZINC001107042320 751787403 /nfs/dbraw/zinc/78/74/03/751787403.db2.gz HEJKTPVJDOGRNI-MCIONIFRSA-N 1 3 312.458 0.275 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779501 752063616 /nfs/dbraw/zinc/06/36/16/752063616.db2.gz MMQGHMHDZLHVQR-CVEARBPZSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779501 752063624 /nfs/dbraw/zinc/06/36/24/752063624.db2.gz MMQGHMHDZLHVQR-CVEARBPZSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779502 752065205 /nfs/dbraw/zinc/06/52/05/752065205.db2.gz MMQGHMHDZLHVQR-HOTGVXAUSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779502 752065209 /nfs/dbraw/zinc/06/52/09/752065209.db2.gz MMQGHMHDZLHVQR-HOTGVXAUSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001127780434 752069455 /nfs/dbraw/zinc/06/94/55/752069455.db2.gz YWGYJFNOJWFPCF-JKSUJKDBSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127780434 752069462 /nfs/dbraw/zinc/06/94/62/752069462.db2.gz YWGYJFNOJWFPCF-JKSUJKDBSA-N 1 3 318.421 0.459 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001167260656 747044474 /nfs/dbraw/zinc/04/44/74/747044474.db2.gz CRWTXLZSCVYUTQ-KGLIPLIRSA-N 1 3 315.458 0.210 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001107621049 752161499 /nfs/dbraw/zinc/16/14/99/752161499.db2.gz IIUJVNIUKLZJDA-GDBMZVCRSA-N 1 3 306.410 0.614 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107621049 752161504 /nfs/dbraw/zinc/16/15/04/752161504.db2.gz IIUJVNIUKLZJDA-GDBMZVCRSA-N 1 3 306.410 0.614 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001167627478 747436106 /nfs/dbraw/zinc/43/61/06/747436106.db2.gz OKYFVMDMNOLBKW-KBPBESRZSA-N 1 3 310.442 0.234 20 0 DCADHO O[C@]1(CNC[C@@H]2COCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000690765247 747556944 /nfs/dbraw/zinc/55/69/44/747556944.db2.gz KMVIGKLGRWXHRF-SJORKVTESA-N 1 3 306.406 0.628 20 0 DCADHO O[C@]1(CNC[C@@H]2COCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000690765247 747556947 /nfs/dbraw/zinc/55/69/47/747556947.db2.gz KMVIGKLGRWXHRF-SJORKVTESA-N 1 3 306.406 0.628 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001087259443 747573119 /nfs/dbraw/zinc/57/31/19/747573119.db2.gz OQAMUCYHFFXUON-JQWIXIFHSA-N 1 3 307.398 0.106 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001087259443 747573123 /nfs/dbraw/zinc/57/31/23/747573123.db2.gz OQAMUCYHFFXUON-JQWIXIFHSA-N 1 3 307.398 0.106 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001087259605 747575408 /nfs/dbraw/zinc/57/54/08/747575408.db2.gz XCQVNUACTKYNHY-UHFFFAOYSA-N 1 3 307.398 0.250 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1 ZINC001105067365 748019569 /nfs/dbraw/zinc/01/95/69/748019569.db2.gz XTXAUUQUAHUGJQ-OAGGEKHMSA-N 1 3 311.470 0.927 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259658 748086020 /nfs/dbraw/zinc/08/60/20/748086020.db2.gz HEXJTLYCUJULFJ-HNNXBMFYSA-N 1 3 320.441 0.501 20 0 DCADHO CC[C@H](C(=O)N1CC(n2cc(C[NH2+]CC(C)C)nn2)C1)N(C)C ZINC001105268251 748093869 /nfs/dbraw/zinc/09/38/69/748093869.db2.gz GWRUKDXNASNIEU-OAHLLOKOSA-N 1 3 322.457 0.747 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)CC1 ZINC001088149216 749258307 /nfs/dbraw/zinc/25/83/07/749258307.db2.gz RWMTUYOTXMQCJV-SJORKVTESA-N 1 3 323.481 0.881 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)CC1 ZINC001088149216 749258314 /nfs/dbraw/zinc/25/83/14/749258314.db2.gz RWMTUYOTXMQCJV-SJORKVTESA-N 1 3 323.481 0.881 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCN1CCO ZINC001088769848 749995033 /nfs/dbraw/zinc/99/50/33/749995033.db2.gz IZVAWWRKCYEEQN-PBHICJAKSA-N 1 3 319.449 0.976 20 0 DCADHO CCCCN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563438 750201576 /nfs/dbraw/zinc/20/15/76/750201576.db2.gz PQZVOJAHXPEOIG-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1CCCO ZINC001088912870 750723886 /nfs/dbraw/zinc/72/38/86/750723886.db2.gz VOZBCPCMSBCFTG-HIFRSBDPSA-N 1 3 323.441 0.020 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1CC1 ZINC001127254408 750928394 /nfs/dbraw/zinc/92/83/94/750928394.db2.gz FHGIOMDXAXNKQZ-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1CC1 ZINC001127254408 750928397 /nfs/dbraw/zinc/92/83/97/750928397.db2.gz FHGIOMDXAXNKQZ-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705275 751238331 /nfs/dbraw/zinc/23/83/31/751238331.db2.gz ZRUYYYMXHZRVRX-CHWSQXEVSA-N 1 3 321.425 0.161 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106784299 751277425 /nfs/dbraw/zinc/27/74/25/751277425.db2.gz GDWDPJOVLDWSDH-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCC ZINC001168596003 752671622 /nfs/dbraw/zinc/67/16/22/752671622.db2.gz POTCGUIULCIIMJ-UHFFFAOYSA-N 1 3 314.474 0.731 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)CC1 ZINC001077927954 752876697 /nfs/dbraw/zinc/87/66/97/752876697.db2.gz OMBIGCSOQJVHFE-HZPDHXFCSA-N 1 3 309.454 0.678 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC2CC2)C1)C1CC1 ZINC001078412242 753231464 /nfs/dbraw/zinc/23/14/64/753231464.db2.gz WUXXYBDEEVSZBM-JKSUJKDBSA-N 1 3 309.454 0.944 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001045969111 753384231 /nfs/dbraw/zinc/38/42/31/753384231.db2.gz LFDMNKGTLKBIJI-INIZCTEOSA-N 1 3 306.410 0.649 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001045969111 753384234 /nfs/dbraw/zinc/38/42/34/753384234.db2.gz LFDMNKGTLKBIJI-INIZCTEOSA-N 1 3 306.410 0.649 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046010075 753412583 /nfs/dbraw/zinc/41/25/83/753412583.db2.gz HVSVLYYTZKLQNG-IRXDYDNUSA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046010075 753412586 /nfs/dbraw/zinc/41/25/86/753412586.db2.gz HVSVLYYTZKLQNG-IRXDYDNUSA-N 1 3 320.481 0.709 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCN([C@@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001046065559 753458689 /nfs/dbraw/zinc/45/86/89/753458689.db2.gz AYZGEIKMHRGNKX-OAHLLOKOSA-N 1 3 323.416 0.530 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCN([C@@H]2CC[N@H+](CCCF)C2)CC1 ZINC001046065559 753458691 /nfs/dbraw/zinc/45/86/91/753458691.db2.gz AYZGEIKMHRGNKX-OAHLLOKOSA-N 1 3 323.416 0.530 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO)CC1 ZINC001096103959 753767069 /nfs/dbraw/zinc/76/70/69/753767069.db2.gz AIFASHPDLSROMT-PMPSAXMXSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001046895694 754006704 /nfs/dbraw/zinc/00/67/04/754006704.db2.gz ZPEAEUQMAOWISJ-RHSMWYFYSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046903338 754010932 /nfs/dbraw/zinc/01/09/32/754010932.db2.gz PDHVIOLIHVTKQP-CJNGLKHVSA-N 1 3 319.409 0.011 20 0 DCADHO CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](O)C1 ZINC001090451272 762280983 /nfs/dbraw/zinc/28/09/83/762280983.db2.gz FWUHACPDYKMBFF-DLBZAZTESA-N 1 3 319.449 0.976 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001128774920 754267686 /nfs/dbraw/zinc/26/76/86/754267686.db2.gz ZEKKCXCIKUOGJS-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001128774920 754267690 /nfs/dbraw/zinc/26/76/90/754267690.db2.gz ZEKKCXCIKUOGJS-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC(C)C ZINC001128787319 754290107 /nfs/dbraw/zinc/29/01/07/754290107.db2.gz ZKBKIAVZJHNJJZ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC(C)C ZINC001128787319 754290110 /nfs/dbraw/zinc/29/01/10/754290110.db2.gz ZKBKIAVZJHNJJZ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1)C1CC1 ZINC001048864390 754986011 /nfs/dbraw/zinc/98/60/11/754986011.db2.gz XQBHAGRZDLDSGN-QMCVQRASSA-N 1 3 321.465 0.753 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1)C1CC1 ZINC001048864390 754986015 /nfs/dbraw/zinc/98/60/15/754986015.db2.gz XQBHAGRZDLDSGN-QMCVQRASSA-N 1 3 321.465 0.753 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058452 755095744 /nfs/dbraw/zinc/09/57/44/755095744.db2.gz YHAUZLZPENKTDP-YHUYYLMFSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058452 755095746 /nfs/dbraw/zinc/09/57/46/755095746.db2.gz YHAUZLZPENKTDP-YHUYYLMFSA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@@H](C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1)OC ZINC001049083396 755107820 /nfs/dbraw/zinc/10/78/20/755107820.db2.gz BLABNUQTMQKPLW-GUTXKFCHSA-N 1 3 306.410 0.767 20 0 DCADHO CC[C@@H](C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1)OC ZINC001049083396 755107822 /nfs/dbraw/zinc/10/78/22/755107822.db2.gz BLABNUQTMQKPLW-GUTXKFCHSA-N 1 3 306.410 0.767 20 0 DCADHO O=C(N1CCC[C@H]2[C@@H]1CCN2CCO)C12CCC[NH+]1CCC2 ZINC001049569256 755318086 /nfs/dbraw/zinc/31/80/86/755318086.db2.gz XVGUOKIFHSKHAH-GJZGRUSLSA-N 1 3 307.438 0.672 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072287144 762427288 /nfs/dbraw/zinc/42/72/88/762427288.db2.gz SCNDIIITHRKHMI-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160976 756118089 /nfs/dbraw/zinc/11/80/89/756118089.db2.gz HKYHBLONIYHPIJ-HCBPCCMXSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160976 756118092 /nfs/dbraw/zinc/11/80/92/756118092.db2.gz HKYHBLONIYHPIJ-HCBPCCMXSA-N 1 3 321.465 0.942 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080442175 756215205 /nfs/dbraw/zinc/21/52/05/756215205.db2.gz OWOILSZUFWWRTJ-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783614 756338385 /nfs/dbraw/zinc/33/83/85/756338385.db2.gz XYVILCOITQUHBU-BZUAXINKSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783614 756338391 /nfs/dbraw/zinc/33/83/91/756338391.db2.gz XYVILCOITQUHBU-BZUAXINKSA-N 1 3 319.453 0.661 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001054298382 756427814 /nfs/dbraw/zinc/42/78/14/756427814.db2.gz BZQKHJMAICZUMQ-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653621 757215229 /nfs/dbraw/zinc/21/52/29/757215229.db2.gz UJHYHCVGIARNFJ-HCBPCCMXSA-N 1 3 321.465 0.942 20 0 DCADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NCc1cnnn1C ZINC001082740904 757251265 /nfs/dbraw/zinc/25/12/65/757251265.db2.gz JTISQPGLSAONEH-VNHYZAJKSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NCc1cnnn1C ZINC001082740904 757251273 /nfs/dbraw/zinc/25/12/73/757251273.db2.gz JTISQPGLSAONEH-VNHYZAJKSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cncn1C ZINC001082919850 757325295 /nfs/dbraw/zinc/32/52/95/757325295.db2.gz HUKLBRZNQLXAIV-VNHYZAJKSA-N 1 3 305.426 0.308 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cncn1C ZINC001082919850 757325308 /nfs/dbraw/zinc/32/53/08/757325308.db2.gz HUKLBRZNQLXAIV-VNHYZAJKSA-N 1 3 305.426 0.308 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001050236437 757526454 /nfs/dbraw/zinc/52/64/54/757526454.db2.gz QNHIFMYOYXYTJK-GXTWGEPZSA-N 1 3 319.409 0.059 20 0 DCADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CCN(CCO)[C@H]2C1 ZINC001084998147 758160005 /nfs/dbraw/zinc/16/00/05/758160005.db2.gz WRJFQJVYGNECLL-HYVNUMGLSA-N 1 3 321.465 0.776 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001147825669 767853018 /nfs/dbraw/zinc/85/30/18/767853018.db2.gz PYSXIVSQIDWYMF-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO NCC12CCC(CC1)[N@H+]2CCC(=O)NC(=O)NCC(F)(F)F ZINC001580248218 1165548021 /nfs/dbraw/zinc/54/80/21/1165548021.db2.gz UAELLULDLDGJIK-UHFFFAOYSA-N 1 3 322.331 0.720 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878462 767871959 /nfs/dbraw/zinc/87/19/59/767871959.db2.gz ZKIBFLUXKZHMQA-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878462 767871966 /nfs/dbraw/zinc/87/19/66/767871966.db2.gz ZKIBFLUXKZHMQA-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001129327004 759785093 /nfs/dbraw/zinc/78/50/93/759785093.db2.gz DHNKNEBGQRCURG-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001129327004 759785098 /nfs/dbraw/zinc/78/50/98/759785098.db2.gz DHNKNEBGQRCURG-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOCC)C[C@@H]1O ZINC001100084266 760189006 /nfs/dbraw/zinc/18/90/06/760189006.db2.gz ZHKYOPMOQWOXNG-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOCC)C[C@@H]1O ZINC001100084266 760189011 /nfs/dbraw/zinc/18/90/11/760189011.db2.gz ZHKYOPMOQWOXNG-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001148174385 767930408 /nfs/dbraw/zinc/93/04/08/767930408.db2.gz LNVUUYIDMCDBHP-UHFFFAOYSA-N 1 3 320.441 0.154 20 0 DCADHO [NH3+]Cc1cccc(-c2nnn(-c3cccnc3OC3CNC3)n2)c1 ZINC001168887155 760499686 /nfs/dbraw/zinc/49/96/86/760499686.db2.gz CLVRYMOLRGKWDJ-UHFFFAOYSA-N 1 3 323.360 0.534 20 0 DCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001169139878 760594459 /nfs/dbraw/zinc/59/44/59/760594459.db2.gz OJEHSZPNTOLQBE-WBTNSWJXSA-N 1 3 320.437 0.034 20 0 DCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001169139878 760594462 /nfs/dbraw/zinc/59/44/62/760594462.db2.gz OJEHSZPNTOLQBE-WBTNSWJXSA-N 1 3 320.437 0.034 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001148360423 767972771 /nfs/dbraw/zinc/97/27/71/767972771.db2.gz UJTBVWGXPIZWRT-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H](O)c2ccccc2)CCC1 ZINC001129358131 761004445 /nfs/dbraw/zinc/00/44/45/761004445.db2.gz QIMKMUGGKZDYFV-OAHLLOKOSA-N 1 3 305.422 0.910 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(CC)CC ZINC001148578456 768019350 /nfs/dbraw/zinc/01/93/50/768019350.db2.gz UBZWDSPNEQMBNA-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(CC)CC ZINC001148578456 768019354 /nfs/dbraw/zinc/01/93/54/768019354.db2.gz UBZWDSPNEQMBNA-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001148577764 768019814 /nfs/dbraw/zinc/01/98/14/768019814.db2.gz BPEHIKBDHISHOY-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001148577764 768019817 /nfs/dbraw/zinc/01/98/17/768019817.db2.gz BPEHIKBDHISHOY-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001070499287 761278319 /nfs/dbraw/zinc/27/83/19/761278319.db2.gz LJHSCHSXJXWHDQ-DZGCQCFKSA-N 1 3 319.453 0.808 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC[C@H](N4CC=CC4)C3)[C@@H]2C1 ZINC001123801851 768059337 /nfs/dbraw/zinc/05/93/37/768059337.db2.gz HPNSXNDZGXQLTQ-JONQDZQNSA-N 1 3 304.438 0.982 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC[C@H](N4CC=CC4)C3)[C@@H]2C1 ZINC001123801851 768059343 /nfs/dbraw/zinc/05/93/43/768059343.db2.gz HPNSXNDZGXQLTQ-JONQDZQNSA-N 1 3 304.438 0.982 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001086552010 761842208 /nfs/dbraw/zinc/84/22/08/761842208.db2.gz SPFXNGDKXIXTJB-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001086552010 761842214 /nfs/dbraw/zinc/84/22/14/761842214.db2.gz SPFXNGDKXIXTJB-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449193 762938435 /nfs/dbraw/zinc/93/84/35/762938435.db2.gz KXXAVWHADFOQBO-SWLSCSKDSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950475 763055371 /nfs/dbraw/zinc/05/53/71/763055371.db2.gz VJVIQKQKHBVEMD-KGLIPLIRSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@]1(CO)CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157900464 763079619 /nfs/dbraw/zinc/07/96/19/763079619.db2.gz JRISKKSFWSUQGV-ZBFHGGJFSA-N 1 3 309.454 0.872 20 0 DCADHO C[C@]1(CO)CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157900464 763079620 /nfs/dbraw/zinc/07/96/20/763079620.db2.gz JRISKKSFWSUQGV-ZBFHGGJFSA-N 1 3 309.454 0.872 20 0 DCADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047581 763104239 /nfs/dbraw/zinc/10/42/39/763104239.db2.gz IOAMNBPXHRQHML-CABCVRRESA-N 1 3 322.457 0.762 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130427239 763297517 /nfs/dbraw/zinc/29/75/17/763297517.db2.gz KQEMMCRQIYQDKR-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130427239 763297528 /nfs/dbraw/zinc/29/75/28/763297528.db2.gz KQEMMCRQIYQDKR-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)N1CCN(c2ccc(NCCN(C)CC[NH3+])cn2)CC1 ZINC001170501781 763377167 /nfs/dbraw/zinc/37/71/67/763377167.db2.gz BFQRYPHEZLJKFB-UHFFFAOYSA-N 1 3 320.485 0.914 20 0 DCADHO CN(CC[NH3+])CCNc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001170502623 763384036 /nfs/dbraw/zinc/38/40/36/763384036.db2.gz FYGYCCQHTKXQTR-INIZCTEOSA-N 1 3 317.437 0.903 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1=O ZINC001130622772 763404506 /nfs/dbraw/zinc/40/45/06/763404506.db2.gz ZZHSZWLNXAYGDO-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1=O ZINC001130622772 763404513 /nfs/dbraw/zinc/40/45/13/763404513.db2.gz ZZHSZWLNXAYGDO-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130709193 763448599 /nfs/dbraw/zinc/44/85/99/763448599.db2.gz WOWWEQHIAFPINO-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130709193 763448601 /nfs/dbraw/zinc/44/86/01/763448601.db2.gz WOWWEQHIAFPINO-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678477 763718591 /nfs/dbraw/zinc/71/85/91/763718591.db2.gz MHIKWWKCEVVBOF-NFOMZHRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001100770333 763775322 /nfs/dbraw/zinc/77/53/22/763775322.db2.gz BSQOACGRBINTMO-IYXRBSQSSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCC[C@@H](C)O)C1 ZINC001100920975 763857437 /nfs/dbraw/zinc/85/74/37/763857437.db2.gz KLFBOWLOBQSANA-LMWSTFAQSA-N 1 3 308.426 0.906 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790426 764014559 /nfs/dbraw/zinc/01/45/59/764014559.db2.gz NGFULTSQQICVIT-MRXNPFEDSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001131790334 764014733 /nfs/dbraw/zinc/01/47/33/764014733.db2.gz LQERNSCFVLMDPM-IUODEOHRSA-N 1 3 322.453 0.234 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786367 764031370 /nfs/dbraw/zinc/03/13/70/764031370.db2.gz PCDGPQWNCSRHIS-HNNXBMFYSA-N 1 3 305.426 0.500 20 0 DCADHO CC(C)(C[NH2+]CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595600 764179552 /nfs/dbraw/zinc/17/95/52/764179552.db2.gz JIDVRGYIYGIWBJ-UHFFFAOYSA-N 1 3 311.470 0.929 20 0 DCADHO CCN1CC[C@H](N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102320644 764597005 /nfs/dbraw/zinc/59/70/05/764597005.db2.gz MUJAONULWBKTPT-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001102475657 764656940 /nfs/dbraw/zinc/65/69/40/764656940.db2.gz YJJHMGAHTBVLMQ-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001102475657 764656946 /nfs/dbraw/zinc/65/69/46/764656946.db2.gz YJJHMGAHTBVLMQ-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001132882661 764719374 /nfs/dbraw/zinc/71/93/74/764719374.db2.gz HXFXNHSMQDWSIC-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001132882661 764719379 /nfs/dbraw/zinc/71/93/79/764719379.db2.gz HXFXNHSMQDWSIC-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051672 764802620 /nfs/dbraw/zinc/80/26/20/764802620.db2.gz KSEFCXOOQVBXCR-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133433776 764966852 /nfs/dbraw/zinc/96/68/52/764966852.db2.gz BNCPYMCRWHEXOZ-UONOGXRCSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434515 764967692 /nfs/dbraw/zinc/96/76/92/764967692.db2.gz VKAXNPWPUKJOOO-CQSZACIVSA-N 1 3 300.447 0.051 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185528 764973816 /nfs/dbraw/zinc/97/38/16/764973816.db2.gz BGJYHEGJFIAEPX-ZIAGYGMSSA-N 1 3 322.453 0.174 20 0 DCADHO CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103250020 764993888 /nfs/dbraw/zinc/99/38/88/764993888.db2.gz YATUGKCQSBWIKJ-MYPHYYIGSA-N 1 3 321.465 0.944 20 0 DCADHO CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103250020 764993896 /nfs/dbraw/zinc/99/38/96/764993896.db2.gz YATUGKCQSBWIKJ-MYPHYYIGSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133863833 765189332 /nfs/dbraw/zinc/18/93/32/765189332.db2.gz PWFQEUCUSLRKRX-STQMWFEESA-N 1 3 312.458 0.052 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133863833 765189336 /nfs/dbraw/zinc/18/93/36/765189336.db2.gz PWFQEUCUSLRKRX-STQMWFEESA-N 1 3 312.458 0.052 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133865233 765189994 /nfs/dbraw/zinc/18/99/94/765189994.db2.gz AXSHKYXSFPXOEL-GXTWGEPZSA-N 1 3 312.458 0.195 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133865233 765189999 /nfs/dbraw/zinc/18/99/99/765189999.db2.gz AXSHKYXSFPXOEL-GXTWGEPZSA-N 1 3 312.458 0.195 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893823 765213336 /nfs/dbraw/zinc/21/33/36/765213336.db2.gz PPCWQTIZAOLKOQ-UHFFFAOYSA-N 1 3 320.437 0.198 20 0 DCADHO CN(CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)CC(C)(C)C ZINC001133899814 765225431 /nfs/dbraw/zinc/22/54/31/765225431.db2.gz YQVGKRLECWPAQC-UHFFFAOYSA-N 1 3 322.453 0.569 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc2c(c1)nnn2C)N(C)C ZINC001133983002 765270193 /nfs/dbraw/zinc/27/01/93/765270193.db2.gz UBWDLYOYNYMPDI-AWEZNQCLSA-N 1 3 318.425 0.514 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)CCC1 ZINC001112396719 765523802 /nfs/dbraw/zinc/52/38/02/765523802.db2.gz BCBRGUGYLLPHFH-BBRMVZONSA-N 1 3 322.453 0.174 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001115081116 765581814 /nfs/dbraw/zinc/58/18/14/765581814.db2.gz KZVBHCBEHMNKKX-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCc3cnn(C)c3)C[C@H]21 ZINC001115081116 765581822 /nfs/dbraw/zinc/58/18/22/765581822.db2.gz KZVBHCBEHMNKKX-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NCc1ccco1 ZINC001124866767 768318239 /nfs/dbraw/zinc/31/82/39/768318239.db2.gz KNFKWQKEYSKEEV-JSGCOSHPSA-N 1 3 322.409 0.084 20 0 DCADHO [NH3+]CCOCCOCCNc1cccc(N2CCOCC2)n1 ZINC001159445652 765866674 /nfs/dbraw/zinc/86/66/74/765866674.db2.gz QQTHOHJHIZQCLX-UHFFFAOYSA-N 1 3 310.398 0.322 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513236 765967261 /nfs/dbraw/zinc/96/72/61/765967261.db2.gz IEOIUGXPHIXMRT-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)CCC1 ZINC001159854248 766285883 /nfs/dbraw/zinc/28/58/83/766285883.db2.gz OBGKFPGVDGGSPJ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)=CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536393 766297675 /nfs/dbraw/zinc/29/76/75/766297675.db2.gz DVNAIFIQAMPYOG-HZPDHXFCSA-N 1 3 309.454 0.846 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCCC[NH+](C)C)cn1 ZINC001118385096 766304395 /nfs/dbraw/zinc/30/43/95/766304395.db2.gz WQXXIMRGPJOOSN-JKSUJKDBSA-N 1 3 321.469 0.913 20 0 DCADHO CC(C)=CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731554 766528364 /nfs/dbraw/zinc/52/83/64/766528364.db2.gz SPBAVFPIXUUDNN-LSDHHAIUSA-N 1 3 307.438 0.600 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161894 766863454 /nfs/dbraw/zinc/86/34/54/766863454.db2.gz RDKZQMUBCKHNCH-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160688280 767019532 /nfs/dbraw/zinc/01/95/32/767019532.db2.gz AKLUPWOANOBAQB-UONOGXRCSA-N 1 3 317.437 0.990 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160688280 767019542 /nfs/dbraw/zinc/01/95/42/767019542.db2.gz AKLUPWOANOBAQB-UONOGXRCSA-N 1 3 317.437 0.990 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001120635053 767102460 /nfs/dbraw/zinc/10/24/60/767102460.db2.gz ZEUHWTIIEVJSID-JYJNAYRXSA-N 1 3 324.469 0.759 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001146383102 767450823 /nfs/dbraw/zinc/45/08/23/767450823.db2.gz BWFHBRAWHATTCO-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCN1CCc2ccccc2C1 ZINC001121982915 767688787 /nfs/dbraw/zinc/68/87/87/767688787.db2.gz HIOTXGNNLFENCF-RHSMWYFYSA-N 1 3 319.449 0.767 20 0 DCADHO O=C(NCCN[C@H]1CCCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333666 767712604 /nfs/dbraw/zinc/71/26/04/767712604.db2.gz TWCDXHQTUSGNFP-HNNXBMFYSA-N 1 3 322.453 0.093 20 0 DCADHO [NH3+]CCCSCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001122536243 767827837 /nfs/dbraw/zinc/82/78/37/767827837.db2.gz WIPQWCZXBHUTFS-KGLIPLIRSA-N 1 3 315.483 0.516 20 0 DCADHO O=C1CC[C@@H](CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)N1 ZINC001202819992 768410662 /nfs/dbraw/zinc/41/06/62/768410662.db2.gz AMKQYQQCCYXFFS-XHSDSOJGSA-N 1 3 300.406 0.724 20 0 DCADHO O=C1CC[C@@H](CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)N1 ZINC001202819992 768410664 /nfs/dbraw/zinc/41/06/64/768410664.db2.gz AMKQYQQCCYXFFS-XHSDSOJGSA-N 1 3 300.406 0.724 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NCC(C)C ZINC001161226929 768698570 /nfs/dbraw/zinc/69/85/70/768698570.db2.gz RFLUPZAILGOXBC-UHFFFAOYSA-N 1 3 314.474 0.585 20 0 DCADHO CCCCN1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094279085 768946208 /nfs/dbraw/zinc/94/62/08/768946208.db2.gz WUMGTXBHYHJABX-OAHLLOKOSA-N 1 3 320.441 0.645 20 0 DCADHO CCCCN1CC(n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001094279085 768946213 /nfs/dbraw/zinc/94/62/13/768946213.db2.gz WUMGTXBHYHJABX-OAHLLOKOSA-N 1 3 320.441 0.645 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001150624583 769143286 /nfs/dbraw/zinc/14/32/86/769143286.db2.gz CBTROJVCAHOVPG-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001150624583 769143290 /nfs/dbraw/zinc/14/32/90/769143290.db2.gz CBTROJVCAHOVPG-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048390 769244322 /nfs/dbraw/zinc/24/43/22/769244322.db2.gz ASMPLNRBRIETGY-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048390 769244325 /nfs/dbraw/zinc/24/43/25/769244325.db2.gz ASMPLNRBRIETGY-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC001171763238 769369954 /nfs/dbraw/zinc/36/99/54/769369954.db2.gz WFYVDGUPSOGOEX-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001171758268 769368755 /nfs/dbraw/zinc/36/87/55/769368755.db2.gz VEZUCRRYBJDOGA-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001171762959 769370939 /nfs/dbraw/zinc/37/09/39/769370939.db2.gz OABRGIZCAARUQR-LLVKDONJSA-N 1 3 313.364 0.737 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001152459144 769565858 /nfs/dbraw/zinc/56/58/58/769565858.db2.gz ZTRCAHUWVRSLOR-KGLIPLIRSA-N 1 3 320.441 0.346 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)C1 ZINC001173360498 769604574 /nfs/dbraw/zinc/60/45/74/769604574.db2.gz IWECMTZFVMDBOK-OAHLLOKOSA-N 1 3 319.453 0.605 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)C1 ZINC001173360498 769604577 /nfs/dbraw/zinc/60/45/77/769604577.db2.gz IWECMTZFVMDBOK-OAHLLOKOSA-N 1 3 319.453 0.605 20 0 DCADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CCC[N@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173564916 769656659 /nfs/dbraw/zinc/65/66/59/769656659.db2.gz MXZGUBUXNFVLGF-FQUUOJAGSA-N 1 3 312.410 0.801 20 0 DCADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173564916 769656664 /nfs/dbraw/zinc/65/66/64/769656664.db2.gz MXZGUBUXNFVLGF-FQUUOJAGSA-N 1 3 312.410 0.801 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)C[C@@H]1C(=O)OC ZINC001173568684 769662722 /nfs/dbraw/zinc/66/27/22/769662722.db2.gz ZYLFSAFAUGHWIV-XMQYKBBCSA-N 1 3 324.421 0.944 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115938 769760896 /nfs/dbraw/zinc/76/08/96/769760896.db2.gz HSMKVHFZUZFHAA-OAHLLOKOSA-N 1 3 308.451 0.743 20 0 DCADHO c1ccc(N2CC[NH2+]CC2)c(CN2CC[C@@H]3OCCN[C@H]3C2)c1 ZINC001235206416 769778485 /nfs/dbraw/zinc/77/84/85/769778485.db2.gz NDSNOSAALYPDDY-WMZOPIPTSA-N 1 3 316.449 0.659 20 0 DCADHO c1c(CN2C[C@H]3CNC[C@@H](C2)O3)c2cccc3c2n1CC[NH2+]C3 ZINC001235337941 769818994 /nfs/dbraw/zinc/81/89/94/769818994.db2.gz MTAVAXXEVPRCQY-IYBDPMFKSA-N 1 3 312.417 0.917 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175106089 769859098 /nfs/dbraw/zinc/85/90/98/769859098.db2.gz FAPXTXJQQZKGFU-UKRRQHHQSA-N 1 3 314.474 0.583 20 0 DCADHO [NH3+]CCCCN1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001235515024 769869457 /nfs/dbraw/zinc/86/94/57/769869457.db2.gz BOXIWPITYRSIDD-JYJNAYRXSA-N 1 3 318.421 0.782 20 0 DCADHO C[C@H](N)C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001235575212 769900398 /nfs/dbraw/zinc/90/03/98/769900398.db2.gz NDZHMIPXXUIFPP-CTHBEMJXSA-N 1 3 307.394 0.437 20 0 DCADHO C[C@H](N)C[N@H+]1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001235575212 769900406 /nfs/dbraw/zinc/90/04/06/769900406.db2.gz NDZHMIPXXUIFPP-CTHBEMJXSA-N 1 3 307.394 0.437 20 0 DCADHO C[C@@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001235618692 769915828 /nfs/dbraw/zinc/91/58/28/769915828.db2.gz ZRPWNHMOQXCHET-SYAUCNOPSA-N 1 3 318.421 0.496 20 0 DCADHO C[C@@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001235618692 769915837 /nfs/dbraw/zinc/91/58/37/769915837.db2.gz ZRPWNHMOQXCHET-SYAUCNOPSA-N 1 3 318.421 0.496 20 0 DCADHO C[C@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cccn3C)[C@H]2C1 ZINC001235630384 769917368 /nfs/dbraw/zinc/91/73/68/769917368.db2.gz PCECMZOJEAGUKM-RZLSGREXSA-N 1 3 320.437 0.439 20 0 DCADHO C[C@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cccn3C)[C@H]2C1 ZINC001235630384 769917380 /nfs/dbraw/zinc/91/73/80/769917380.db2.gz PCECMZOJEAGUKM-RZLSGREXSA-N 1 3 320.437 0.439 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCN(C2CC[NH2+]CC2)CC1 ZINC001235699862 769935996 /nfs/dbraw/zinc/93/59/96/769935996.db2.gz SWPBHACYCLZSRV-HIFRSBDPSA-N 1 3 316.440 0.847 20 0 DCADHO COC(=O)[C@@H]1CNCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001236054854 769974525 /nfs/dbraw/zinc/97/45/25/769974525.db2.gz ILDINMIKEDZYLA-INIZCTEOSA-N 1 3 321.421 0.574 20 0 DCADHO CCOC(=O)[C@H]1CN(Cc2cccc(N)n2)CCC12C[NH2+]C2 ZINC001237430666 770039954 /nfs/dbraw/zinc/03/99/54/770039954.db2.gz LWFDHQNMDMOVFC-CYBMUJFWSA-N 1 3 304.394 0.638 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001176284260 770061246 /nfs/dbraw/zinc/06/12/46/770061246.db2.gz DZJOIXYDGMEWCM-CHWSQXEVSA-N 1 3 300.447 0.467 20 0 DCADHO O=S(=O)(CC1CCCC1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238242194 770108742 /nfs/dbraw/zinc/10/87/42/770108742.db2.gz NJMDVAAIYQPXKB-CQSZACIVSA-N 1 3 315.483 0.970 20 0 DCADHO O=S(=O)(CC1CCCC1)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238242194 770108748 /nfs/dbraw/zinc/10/87/48/770108748.db2.gz NJMDVAAIYQPXKB-CQSZACIVSA-N 1 3 315.483 0.970 20 0 DCADHO NCCS(=O)(=O)NCC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001238454977 770115312 /nfs/dbraw/zinc/11/53/12/770115312.db2.gz GJCGRONHMJMQNH-UHFFFAOYSA-N 1 3 315.414 0.325 20 0 DCADHO NCCS(=O)(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001238829678 770134128 /nfs/dbraw/zinc/13/41/28/770134128.db2.gz GTUKVMKWDSMNDM-OAHLLOKOSA-N 1 3 311.451 0.996 20 0 DCADHO COc1ccc(C)cc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879900 770141451 /nfs/dbraw/zinc/14/14/51/770141451.db2.gz YDFLMNRBXCCIBI-UHFFFAOYSA-N 1 3 315.439 0.610 20 0 DCADHO CC[C@H](C)[C@H](NC(=O)NCCC[NH2+]CCCN)C(=O)OC ZINC001239253087 770202908 /nfs/dbraw/zinc/20/29/08/770202908.db2.gz NJWFWJSOSQUNDS-RYUDHWBXSA-N 1 3 302.419 0.202 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCO[C@H]1CCOC1 ZINC001176975209 770266163 /nfs/dbraw/zinc/26/61/63/770266163.db2.gz MQKSXLPVOHDTNY-HNNXBMFYSA-N 1 3 315.458 0.618 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001176986420 770274813 /nfs/dbraw/zinc/27/48/13/770274813.db2.gz NURLYSZIVQCXEG-AWEZNQCLSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001176991751 770282962 /nfs/dbraw/zinc/28/29/62/770282962.db2.gz DDWSIVIJCQHMOL-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CN(Cc1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc1)C1CC1 ZINC001155580667 770555402 /nfs/dbraw/zinc/55/54/02/770555402.db2.gz NQFSITHVJGEHOQ-BBRMVZONSA-N 1 3 301.394 0.666 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356487 770731651 /nfs/dbraw/zinc/73/16/51/770731651.db2.gz OJLUTGXDCNTZLS-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359065 770988518 /nfs/dbraw/zinc/98/85/18/770988518.db2.gz NMHGRGRSDMRKQK-UONOGXRCSA-N 1 3 320.441 0.284 20 0 DCADHO Cn1nncc1CN[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359066 770988695 /nfs/dbraw/zinc/98/86/95/770988695.db2.gz NMHGRGRSDMRKQK-ZIAGYGMSSA-N 1 3 320.441 0.284 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001179744563 771010088 /nfs/dbraw/zinc/01/00/88/771010088.db2.gz WERNMEXTZTWDTO-YDHLFZDLSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)[C@@H]1C ZINC001179763393 771013168 /nfs/dbraw/zinc/01/31/68/771013168.db2.gz KWCRPYBENBEHAH-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179765798 771014291 /nfs/dbraw/zinc/01/42/91/771014291.db2.gz AVJBMTBMAHVKBJ-IHRRRGAJSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001179857152 771026584 /nfs/dbraw/zinc/02/65/84/771026584.db2.gz VOTLCTRCNXAAIF-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001179857152 771026591 /nfs/dbraw/zinc/02/65/91/771026591.db2.gz VOTLCTRCNXAAIF-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925864 771035306 /nfs/dbraw/zinc/03/53/06/771035306.db2.gz VOFVYOFLVZJMOH-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925864 771035310 /nfs/dbraw/zinc/03/53/10/771035310.db2.gz VOFVYOFLVZJMOH-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179968102 771048555 /nfs/dbraw/zinc/04/85/55/771048555.db2.gz MJQBRRGPFGRCRO-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001180686649 771162008 /nfs/dbraw/zinc/16/20/08/771162008.db2.gz VPBJVGOJXSPWRQ-CYBMUJFWSA-N 1 3 311.430 0.309 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182590691 771514165 /nfs/dbraw/zinc/51/41/65/771514165.db2.gz RWBMYHOQWJBQGP-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO COc1cnccc1[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001157082033 771529871 /nfs/dbraw/zinc/52/98/71/771529871.db2.gz GDOGJAKWNKXOBS-HZPDHXFCSA-N 1 3 318.421 0.984 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+]CCOCCO ZINC001182741150 771546298 /nfs/dbraw/zinc/54/62/98/771546298.db2.gz JMXMAJRQXRLZND-CZUORRHYSA-N 1 3 324.425 0.035 20 0 DCADHO NC(C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C(F)(F)F ZINC001157378938 771599059 /nfs/dbraw/zinc/59/90/59/771599059.db2.gz GXEWINYMUQRDDX-UWVGGRQHSA-N 1 3 324.347 0.112 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC1CC1 ZINC001183240628 771628115 /nfs/dbraw/zinc/62/81/15/771628115.db2.gz NFYCDMUGWYZQNV-TZMCWYRMSA-N 1 3 322.453 0.328 20 0 DCADHO CCOc1ccccc1N1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001157615167 771642208 /nfs/dbraw/zinc/64/22/08/771642208.db2.gz AVGZLBYYMKBVOI-CQSZACIVSA-N 1 3 320.437 0.800 20 0 DCADHO CC1([NH3+])CN(C(=O)[C@@H](N)Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC001157650958 771648367 /nfs/dbraw/zinc/64/83/67/771648367.db2.gz JJYBXALEZLCEGW-ZDUSSCGKSA-N 1 3 319.405 0.761 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001183509798 771657683 /nfs/dbraw/zinc/65/76/83/771657683.db2.gz OMJKRVHIHXPATM-DVOMOZLQSA-N 1 3 312.458 0.275 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001157720557 771658268 /nfs/dbraw/zinc/65/82/68/771658268.db2.gz LUWADCZIBGMCIN-IKGGRYGDSA-N 1 3 317.433 0.827 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001157721575 771659485 /nfs/dbraw/zinc/65/94/85/771659485.db2.gz ZWCDROZZAWTENX-ULQDDVLXSA-N 1 3 317.433 0.969 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730527 771660186 /nfs/dbraw/zinc/66/01/86/771660186.db2.gz LERFJLOYQJQHAJ-RYUDHWBXSA-N 1 3 307.385 0.664 20 0 DCADHO O=C(c1ncn2c1C[NH2+]CC2)N1CCNC[C@@H]1c1ccccc1 ZINC001157968427 771704983 /nfs/dbraw/zinc/70/49/83/771704983.db2.gz FCQJLHKNAHMANB-CQSZACIVSA-N 1 3 311.389 0.773 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158039708 771717919 /nfs/dbraw/zinc/71/79/19/771717919.db2.gz TZJMXDFSWVYEFZ-ZIAGYGMSSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158039708 771717922 /nfs/dbraw/zinc/71/79/22/771717922.db2.gz TZJMXDFSWVYEFZ-ZIAGYGMSSA-N 1 3 320.441 0.285 20 0 DCADHO O=C([C@@H]1CC[C@H](C(F)(F)F)CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166700 771733194 /nfs/dbraw/zinc/73/31/94/771733194.db2.gz CAPXHFUHSPAUQY-NOOOWODRSA-N 1 3 321.343 0.364 20 0 DCADHO O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170188 771733726 /nfs/dbraw/zinc/73/37/26/771733726.db2.gz WRQZTRHSQDWAEO-RHSMWYFYSA-N 1 3 307.438 0.890 20 0 DCADHO [NH3+][C@H]1CCN(C2CCN(c3cc4c(nn3)CCNC4)CC2)C1 ZINC001158262443 771749940 /nfs/dbraw/zinc/74/99/40/771749940.db2.gz SQQKCCRASZKQGV-ZDUSSCGKSA-N 1 3 302.426 0.124 20 0 DCADHO CO[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)C1 ZINC001158334979 771760988 /nfs/dbraw/zinc/76/09/88/771760988.db2.gz KBAUQDTWIRWPHU-XLNGHYISSA-N 1 3 315.417 0.851 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)on1 ZINC001158487207 771781685 /nfs/dbraw/zinc/78/16/85/771781685.db2.gz WVGIFVOTHAJKRI-ZFWWWQNUSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)on1 ZINC001158487207 771781687 /nfs/dbraw/zinc/78/16/87/771781687.db2.gz WVGIFVOTHAJKRI-ZFWWWQNUSA-N 1 3 322.409 0.442 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184800056 771828792 /nfs/dbraw/zinc/82/87/92/771828792.db2.gz NDWAHPPAFJDAAY-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CCO ZINC001185169750 771872395 /nfs/dbraw/zinc/87/23/95/771872395.db2.gz MRDNSSAZVCLRKD-CABCVRRESA-N 1 3 311.470 0.785 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401372 771912066 /nfs/dbraw/zinc/91/20/66/771912066.db2.gz OYJPRKKKYXXPIU-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001185536243 771931571 /nfs/dbraw/zinc/93/15/71/771931571.db2.gz MDEOIHGXOKIJHU-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001185536242 771931658 /nfs/dbraw/zinc/93/16/58/771931658.db2.gz MDEOIHGXOKIJHU-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)CC(C)(C)C ZINC001185723537 771949926 /nfs/dbraw/zinc/94/99/26/771949926.db2.gz MMCGBZDYTXEQCO-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001159860662 771969247 /nfs/dbraw/zinc/96/92/47/771969247.db2.gz AUIBWZVZQLYNOV-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001185926338 771976916 /nfs/dbraw/zinc/97/69/16/771976916.db2.gz SMFCFITUFAGYCJ-ZIAGYGMSSA-N 1 3 306.410 0.959 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCN1CCCC1=O)C1CC1 ZINC001159932822 771979877 /nfs/dbraw/zinc/97/98/77/771979877.db2.gz VXDCMWQBVDXRPN-INIZCTEOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001160003353 771986837 /nfs/dbraw/zinc/98/68/37/771986837.db2.gz KPGFQOODWWYWJV-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO NC1(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CC1 ZINC001160139321 772000258 /nfs/dbraw/zinc/00/02/58/772000258.db2.gz YBESTQKVCOZEAL-GUTXKFCHSA-N 1 3 316.405 0.673 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274737 772018060 /nfs/dbraw/zinc/01/80/60/772018060.db2.gz WLSAAKBECLMVOI-CYBMUJFWSA-N 1 3 308.430 0.285 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274737 772018063 /nfs/dbraw/zinc/01/80/63/772018063.db2.gz WLSAAKBECLMVOI-CYBMUJFWSA-N 1 3 308.430 0.285 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160403889 772033216 /nfs/dbraw/zinc/03/32/16/772033216.db2.gz FCRAYVAXWJWPHG-BYNSBNAKSA-N 1 3 311.426 0.095 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001186496540 772046948 /nfs/dbraw/zinc/04/69/48/772046948.db2.gz KAZRKXAUGMLBLK-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001160530829 772059073 /nfs/dbraw/zinc/05/90/73/772059073.db2.gz PSCJSPSLBMWXKF-UONOGXRCSA-N 1 3 309.435 0.606 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160696018 772098661 /nfs/dbraw/zinc/09/86/61/772098661.db2.gz SJPNFJZQXYTTCR-MJBXVCDLSA-N 1 3 312.458 0.323 20 0 DCADHO NC[C@H](N)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160712529 772101517 /nfs/dbraw/zinc/10/15/17/772101517.db2.gz ZLVOQFVBEYPDLG-INIZCTEOSA-N 1 3 302.422 0.322 20 0 DCADHO NC[C@H](N)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160712529 772101520 /nfs/dbraw/zinc/10/15/20/772101520.db2.gz ZLVOQFVBEYPDLG-INIZCTEOSA-N 1 3 302.422 0.322 20 0 DCADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@@H]21 ZINC001160882493 772132036 /nfs/dbraw/zinc/13/20/36/772132036.db2.gz BZDJMNIDDMEROE-RFQIPJPRSA-N 1 3 321.421 0.128 20 0 DCADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@@H]21 ZINC001160882493 772132039 /nfs/dbraw/zinc/13/20/39/772132039.db2.gz BZDJMNIDDMEROE-RFQIPJPRSA-N 1 3 321.421 0.128 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160890040 772133187 /nfs/dbraw/zinc/13/31/87/772133187.db2.gz SZCFGGHAVMZFLK-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO NC[C@H](N)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902447 772136496 /nfs/dbraw/zinc/13/64/96/772136496.db2.gz RTGZMOZARPFKMH-DMRKSPOLSA-N 1 3 318.465 0.694 20 0 DCADHO NC[C@H](N)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160902447 772136499 /nfs/dbraw/zinc/13/64/99/772136499.db2.gz RTGZMOZARPFKMH-DMRKSPOLSA-N 1 3 318.465 0.694 20 0 DCADHO CC(C)(C)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121358 772137583 /nfs/dbraw/zinc/13/75/83/772137583.db2.gz ISGNASQUDZCUBZ-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC(=O)N(C(C)C)C1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001161048065 772158684 /nfs/dbraw/zinc/15/86/84/772158684.db2.gz PRRLGPAXVQIXIZ-HNNXBMFYSA-N 1 3 322.453 0.043 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC001187276552 772159021 /nfs/dbraw/zinc/15/90/21/772159021.db2.gz NDMXEDPASAIEJF-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC001187276552 772159022 /nfs/dbraw/zinc/15/90/22/772159022.db2.gz NDMXEDPASAIEJF-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001187276263 772159097 /nfs/dbraw/zinc/15/90/97/772159097.db2.gz GMOLEGQMZMLMEC-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001187276263 772159100 /nfs/dbraw/zinc/15/91/00/772159100.db2.gz GMOLEGQMZMLMEC-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC001187276981 772159675 /nfs/dbraw/zinc/15/96/75/772159675.db2.gz ZRNOIWQKGYPGHV-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC001187276981 772159677 /nfs/dbraw/zinc/15/96/77/772159677.db2.gz ZRNOIWQKGYPGHV-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)C[C@@H]21 ZINC001161082360 772163221 /nfs/dbraw/zinc/16/32/21/772163221.db2.gz NRPYFYAGKHMZIF-NCOADZHNSA-N 1 3 320.481 0.613 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]2C1 ZINC001161174756 772181113 /nfs/dbraw/zinc/18/11/13/772181113.db2.gz DWLUWHWFEZYGKP-ZNMIVQPWSA-N 1 3 322.453 0.126 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]2C1 ZINC001161174756 772181116 /nfs/dbraw/zinc/18/11/16/772181116.db2.gz DWLUWHWFEZYGKP-ZNMIVQPWSA-N 1 3 322.453 0.126 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161235484 772187865 /nfs/dbraw/zinc/18/78/65/772187865.db2.gz SOVWQUFPSCNDAN-CABCVRRESA-N 1 3 322.457 0.937 20 0 DCADHO COc1cc(O[C@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)ccn1 ZINC001161393091 772216684 /nfs/dbraw/zinc/21/66/84/772216684.db2.gz DHTWQCJQXDJKCG-KBPBESRZSA-N 1 3 322.409 0.526 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC001161413905 772219525 /nfs/dbraw/zinc/21/95/25/772219525.db2.gz RWAYBHVEFXRGER-DGAVXFQQSA-N 1 3 304.394 0.676 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001161470782 772228898 /nfs/dbraw/zinc/22/88/98/772228898.db2.gz KFLICUCTEKQRPC-NWDGAFQWSA-N 1 3 304.385 0.385 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161501300 772235427 /nfs/dbraw/zinc/23/54/27/772235427.db2.gz UVJRETQCCVGUCB-GJZGRUSLSA-N 1 3 319.405 0.141 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511107 772237497 /nfs/dbraw/zinc/23/74/97/772237497.db2.gz WPIDODXNXYZJEC-GJZGRUSLSA-N 1 3 303.406 0.523 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001188139620 772271229 /nfs/dbraw/zinc/27/12/29/772271229.db2.gz QAUPPHRKCSCXQL-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cnc(N2CCC(C[NH3+])CC2)nc1-n1cnc(CN)c1 ZINC001162296746 772354850 /nfs/dbraw/zinc/35/48/50/772354850.db2.gz LMSMFBVMWGHESW-UHFFFAOYSA-N 1 3 301.398 0.605 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1cccnc1OC1C[NH2+]C1 ZINC001162540976 772389405 /nfs/dbraw/zinc/38/94/05/772389405.db2.gz LQCBTRNYYFIYFF-UHFFFAOYSA-N 1 3 317.349 0.253 20 0 DCADHO Cn1cc(C(=O)N(CCCC[NH3+])C(=N)N)c(C(F)(F)F)n1 ZINC001188962305 772391614 /nfs/dbraw/zinc/39/16/14/772391614.db2.gz BUEJSDMCBIDEPB-UHFFFAOYSA-N 1 3 306.292 0.513 20 0 DCADHO CN1CCN(c2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)cc2)CC1 ZINC001163202848 772481294 /nfs/dbraw/zinc/48/12/94/772481294.db2.gz OLDDAXNNUBYGDG-WBVHZDCISA-N 1 3 302.422 0.981 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001189667136 772509624 /nfs/dbraw/zinc/50/96/24/772509624.db2.gz BNSXJRBBLODKGK-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001189667136 772509627 /nfs/dbraw/zinc/50/96/27/772509627.db2.gz BNSXJRBBLODKGK-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189669324 772510318 /nfs/dbraw/zinc/51/03/18/772510318.db2.gz WQCIPHVHZUOBJL-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189669324 772510319 /nfs/dbraw/zinc/51/03/19/772510319.db2.gz WQCIPHVHZUOBJL-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189898900 772563334 /nfs/dbraw/zinc/56/33/34/772563334.db2.gz UBBPVZHSDABTBR-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189898900 772563336 /nfs/dbraw/zinc/56/33/36/772563336.db2.gz UBBPVZHSDABTBR-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1cncc1C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163821254 772577488 /nfs/dbraw/zinc/57/74/88/772577488.db2.gz MGUDAHLHMUMLTD-OAHLLOKOSA-N 1 3 319.453 0.890 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001163819927 772577770 /nfs/dbraw/zinc/57/77/70/772577770.db2.gz CDPWILLZXJRHKM-CQSZACIVSA-N 1 3 322.453 0.235 20 0 DCADHO Cc1nc(C[NH2+]CCCNC(=O)[C@H]2CN(C(C)C)CCO2)co1 ZINC001164536043 772675563 /nfs/dbraw/zinc/67/55/63/772675563.db2.gz LFTMKXFIDDVUDN-OAHLLOKOSA-N 1 3 324.425 0.688 20 0 DCADHO Cc1nonc1C[NH2+]CCCNC(=O)c1occc1CN(C)C ZINC001165246523 772710841 /nfs/dbraw/zinc/71/08/41/772710841.db2.gz SFSOTBJHGJSNDB-UHFFFAOYSA-N 1 3 321.381 0.942 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165502215 772743737 /nfs/dbraw/zinc/74/37/37/772743737.db2.gz YWGPYGMMVWCWLI-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004740 772778179 /nfs/dbraw/zinc/77/81/79/772778179.db2.gz VJPXMBDJKONKSV-OAHLLOKOSA-N 1 3 314.474 0.537 20 0 DCADHO CC[NH2+]CC1(CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001166250263 772796139 /nfs/dbraw/zinc/79/61/39/772796139.db2.gz PELODPBJCLGJCB-XOYHFGRZSA-N 1 3 307.438 0.746 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)CN2CCC[C@H]2C)n1 ZINC001166626655 772830126 /nfs/dbraw/zinc/83/01/26/772830126.db2.gz IQXPCUMRMFRFSM-CYBMUJFWSA-N 1 3 323.441 0.891 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)n1 ZINC001166626656 772830494 /nfs/dbraw/zinc/83/04/94/772830494.db2.gz IQXPCUMRMFRFSM-ZDUSSCGKSA-N 1 3 323.441 0.891 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001166646161 772834675 /nfs/dbraw/zinc/83/46/75/772834675.db2.gz ZUYTXYPNSWHRJM-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001166677957 772839265 /nfs/dbraw/zinc/83/92/65/772839265.db2.gz REDUNLHYQNTIEL-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001166677913 772839349 /nfs/dbraw/zinc/83/93/49/772839349.db2.gz PZRJXFILCATORC-UONOGXRCSA-N 1 3 320.441 0.203 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166707928 772845400 /nfs/dbraw/zinc/84/54/00/772845400.db2.gz KLFWDXCACFCEJF-ZFWWWQNUSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707928 772845403 /nfs/dbraw/zinc/84/54/03/772845403.db2.gz KLFWDXCACFCEJF-ZFWWWQNUSA-N 1 3 320.437 0.884 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001166707301 772845468 /nfs/dbraw/zinc/84/54/68/772845468.db2.gz FJSXLPPFEZVFRL-JSGCOSHPSA-N 1 3 321.425 0.279 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001166707301 772845472 /nfs/dbraw/zinc/84/54/72/772845472.db2.gz FJSXLPPFEZVFRL-JSGCOSHPSA-N 1 3 321.425 0.279 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744010 772855165 /nfs/dbraw/zinc/85/51/65/772855165.db2.gz COHDSIMTXUURIO-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C(=O)N(C)C ZINC001166764471 772857208 /nfs/dbraw/zinc/85/72/08/772857208.db2.gz FYYMVJXCFPDRNE-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001166852524 772871563 /nfs/dbraw/zinc/87/15/63/772871563.db2.gz SESITMCPUGFKSZ-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CCn1nncc1CNCC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971016 772894714 /nfs/dbraw/zinc/89/47/14/772894714.db2.gz CJPKJIMGTNPLSF-UHFFFAOYSA-N 1 3 322.457 0.626 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193016204 772996517 /nfs/dbraw/zinc/99/65/17/772996517.db2.gz UTFQIALKOBDYCX-OTLMLMNOSA-N 1 3 321.465 0.846 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001205516050 772997657 /nfs/dbraw/zinc/99/76/57/772997657.db2.gz MJDSLGIIVQRISC-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001194293105 773178620 /nfs/dbraw/zinc/17/86/20/773178620.db2.gz FERKIUKSTVVBHM-AWEZNQCLSA-N 1 3 308.430 0.151 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001194293105 773178623 /nfs/dbraw/zinc/17/86/23/773178623.db2.gz FERKIUKSTVVBHM-AWEZNQCLSA-N 1 3 308.430 0.151 20 0 DCADHO CCN1C[C@@H]2C[NH+](CC3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001207452329 773211381 /nfs/dbraw/zinc/21/13/81/773211381.db2.gz WBGZWIXROPIJEX-HUUCEWRRSA-N 1 3 315.483 0.542 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152148759 773269151 /nfs/dbraw/zinc/26/91/51/773269151.db2.gz QRHJNBJLLFCTRD-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070001 773392789 /nfs/dbraw/zinc/39/27/89/773392789.db2.gz AIJPUNMIFDZDSZ-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070001 773392798 /nfs/dbraw/zinc/39/27/98/773392798.db2.gz AIJPUNMIFDZDSZ-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001208339701 773436940 /nfs/dbraw/zinc/43/69/40/773436940.db2.gz DNMKORSLZROWHM-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475480 773471840 /nfs/dbraw/zinc/47/18/40/773471840.db2.gz VJVSGHCZHNNOPV-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475480 773471843 /nfs/dbraw/zinc/47/18/43/773471843.db2.gz VJVSGHCZHNNOPV-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475482 773472080 /nfs/dbraw/zinc/47/20/80/773472080.db2.gz VJVSGHCZHNNOPV-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475482 773472087 /nfs/dbraw/zinc/47/20/87/773472087.db2.gz VJVSGHCZHNNOPV-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314866 773589850 /nfs/dbraw/zinc/58/98/50/773589850.db2.gz MANAAZVOVDNBKR-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001209322865 773590933 /nfs/dbraw/zinc/59/09/33/773590933.db2.gz AJBGORLQLOZEBP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209446746 773606301 /nfs/dbraw/zinc/60/63/01/773606301.db2.gz USYJYWKRJQXFAI-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631908 773626926 /nfs/dbraw/zinc/62/69/26/773626926.db2.gz IHHJVICKWUQPRC-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001210218158 773686344 /nfs/dbraw/zinc/68/63/44/773686344.db2.gz PBNXPHYXTPUAKV-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001210219984 773687563 /nfs/dbraw/zinc/68/75/63/773687563.db2.gz VYLKJECVHMEBFJ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001210482791 773710906 /nfs/dbraw/zinc/71/09/06/773710906.db2.gz QLRFBRLRIKVVTC-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC001210482791 773710908 /nfs/dbraw/zinc/71/09/08/773710908.db2.gz QLRFBRLRIKVVTC-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001210493410 773713993 /nfs/dbraw/zinc/71/39/93/773713993.db2.gz KXJRBTSJDGHUTP-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001210493410 773713996 /nfs/dbraw/zinc/71/39/96/773713996.db2.gz KXJRBTSJDGHUTP-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(C)C)C1 ZINC001210493221 773714112 /nfs/dbraw/zinc/71/41/12/773714112.db2.gz JXGHWWWKLCYPQZ-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(C)C)C1 ZINC001210493221 773714115 /nfs/dbraw/zinc/71/41/15/773714115.db2.gz JXGHWWWKLCYPQZ-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673967 773729023 /nfs/dbraw/zinc/72/90/23/773729023.db2.gz KRGOVRSSIOZUTI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673967 773729025 /nfs/dbraw/zinc/72/90/25/773729025.db2.gz KRGOVRSSIOZUTI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001210750357 773734368 /nfs/dbraw/zinc/73/43/68/773734368.db2.gz CIMHGKSIRMFMPX-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001197536080 773759310 /nfs/dbraw/zinc/75/93/10/773759310.db2.gz IIHRBMJHJCNMLT-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001197536080 773759313 /nfs/dbraw/zinc/75/93/13/773759313.db2.gz IIHRBMJHJCNMLT-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211065014 773764712 /nfs/dbraw/zinc/76/47/12/773764712.db2.gz RJOXOWNIKDOORS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065014 773764715 /nfs/dbraw/zinc/76/47/15/773764715.db2.gz RJOXOWNIKDOORS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001211064660 773765022 /nfs/dbraw/zinc/76/50/22/773765022.db2.gz PHGIGLNTRVOFAS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001211064660 773765027 /nfs/dbraw/zinc/76/50/27/773765027.db2.gz PHGIGLNTRVOFAS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240778 773784564 /nfs/dbraw/zinc/78/45/64/773784564.db2.gz POAZTBHIMNOXEO-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001211268930 773787980 /nfs/dbraw/zinc/78/79/80/773787980.db2.gz MCUUKCDMGPUCIX-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001211269693 773788590 /nfs/dbraw/zinc/78/85/90/773788590.db2.gz UEJWGZJHAHDKHT-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1OC ZINC001213678361 773874925 /nfs/dbraw/zinc/87/49/25/773874925.db2.gz RCQWQTVOGXMFDF-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1OC ZINC001213678361 773874930 /nfs/dbraw/zinc/87/49/30/773874930.db2.gz RCQWQTVOGXMFDF-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214344234 773962070 /nfs/dbraw/zinc/96/20/70/773962070.db2.gz PLHCXHBIZUHLCU-YUELXQCFSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057995 774021207 /nfs/dbraw/zinc/02/12/07/774021207.db2.gz ZDPUGICUCKDPJI-RRFJBIMHSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001214952895 774028817 /nfs/dbraw/zinc/02/88/17/774028817.db2.gz QZYMTAWBTQRWHE-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215232299 774051872 /nfs/dbraw/zinc/05/18/72/774051872.db2.gz FDYUQXFEOBXPAD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1)[NH+](CC)CC ZINC001215518795 774080972 /nfs/dbraw/zinc/08/09/72/774080972.db2.gz MPYAPAPIISXRFV-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnccc1OC(F)F ZINC001199381906 774100822 /nfs/dbraw/zinc/10/08/22/774100822.db2.gz JTPIVGHOXISXNH-UHFFFAOYSA-N 1 3 301.297 0.758 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001216506970 774119844 /nfs/dbraw/zinc/11/98/44/774119844.db2.gz OUSLTUAYCOCRAR-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001216506970 774119846 /nfs/dbraw/zinc/11/98/46/774119846.db2.gz OUSLTUAYCOCRAR-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(OC2CC[NH2+]CC2)c1 ZINC001217963644 774207213 /nfs/dbraw/zinc/20/72/13/774207213.db2.gz KBHLBMXPIKLVKZ-ZDUSSCGKSA-N 1 3 307.394 0.481 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2C=CC[NH2+]C2)c1 ZINC001218337939 774221021 /nfs/dbraw/zinc/22/10/21/774221021.db2.gz QVXKGDREDNZWMH-STQMWFEESA-N 1 3 305.378 0.257 20 0 DCADHO N[C@@H](C(=O)Nc1nnc(Br)s1)C1CC[NH2+]CC1 ZINC001218511518 774232179 /nfs/dbraw/zinc/23/21/79/774232179.db2.gz QURIOJWGVGLNIN-ZCFIWIBFSA-N 1 3 320.216 0.566 20 0 DCADHO COc1nc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc2cccnc21 ZINC001218522990 774236185 /nfs/dbraw/zinc/23/61/85/774236185.db2.gz CLKXOGKHFFWKJT-LLVKDONJSA-N 1 3 313.361 0.386 20 0 DCADHO CCNc1ccnc(Cl)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218614149 774262680 /nfs/dbraw/zinc/26/26/80/774262680.db2.gz UNRRVEWYOWLPRX-VIFPVBQESA-N 1 3 309.801 0.914 20 0 DCADHO COc1ccc(Br)nc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218616974 774263919 /nfs/dbraw/zinc/26/39/19/774263919.db2.gz BJHONKJKEJHYKF-ZETCQYMHSA-N 1 3 317.187 0.857 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001218710231 774286029 /nfs/dbraw/zinc/28/60/29/774286029.db2.gz DEDRWCLLNDXIDE-XPTSAGLGSA-N 1 3 305.338 0.546 20 0 DCADHO CO[C@H]1CCN[C@@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218731681 774291226 /nfs/dbraw/zinc/29/12/26/774291226.db2.gz RNEZTYYPZQOCJS-BFHYXJOUSA-N 1 3 320.393 0.528 20 0 DCADHO N[C@H](C(=O)Nc1cc2n(n1)CC(F)(F)CO2)C1CC[NH2+]CC1 ZINC001218751597 774297060 /nfs/dbraw/zinc/29/70/60/774297060.db2.gz LMPUHIVYMJSYIQ-NSHDSACASA-N 1 3 315.324 0.176 20 0 DCADHO Nc1cnc(N(C(=O)[C@H](N)C2CC[NH2+]CC2)C2CCCC2)nc1 ZINC001218755469 774298755 /nfs/dbraw/zinc/29/87/55/774298755.db2.gz YBHUDSQILHQZCS-CQSZACIVSA-N 1 3 318.425 0.661 20 0 DCADHO O=C(Nc1cncc(OC(F)(F)F)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218794663 774304448 /nfs/dbraw/zinc/30/44/48/774304448.db2.gz TUUGBUGDTIHMIQ-JTQLQIEISA-N 1 3 316.283 0.728 20 0 DCADHO N[C@@H](C(=O)Nc1ccc2c(c1)CCNC2=O)C1CC[NH2+]CC1 ZINC001218934625 774331308 /nfs/dbraw/zinc/33/13/08/774331308.db2.gz HERKGKLFAVPLTF-CQSZACIVSA-N 1 3 302.378 0.238 20 0 DCADHO N[C@@H](C(=O)Nc1ccccc1-c1nc[nH]n1)C1CC[NH2+]CC1 ZINC001218974453 774339418 /nfs/dbraw/zinc/33/94/18/774339418.db2.gz BSQSRUKHNSFQSO-CYBMUJFWSA-N 1 3 300.366 0.737 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001219028305 774350079 /nfs/dbraw/zinc/35/00/79/774350079.db2.gz YYTFGQUHKDIDDA-CQSZACIVSA-N 1 3 303.362 0.628 20 0 DCADHO NC[C@H](N)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219129698 774380695 /nfs/dbraw/zinc/38/06/95/774380695.db2.gz MJJROCDWIGHVPG-LBPRGKRZSA-N 1 3 310.373 0.429 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200687669 774389705 /nfs/dbraw/zinc/38/97/05/774389705.db2.gz FAZQGHPIWUPFEM-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001200851891 774417130 /nfs/dbraw/zinc/41/71/30/774417130.db2.gz SEAHDNQIDRMPPO-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CNCCF)C1 ZINC001200852156 774417505 /nfs/dbraw/zinc/41/75/05/774417505.db2.gz WGENTMPGZCBJGV-ZDUSSCGKSA-N 1 3 303.422 0.893 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CNCCF)C1 ZINC001200852156 774417509 /nfs/dbraw/zinc/41/75/09/774417509.db2.gz WGENTMPGZCBJGV-ZDUSSCGKSA-N 1 3 303.422 0.893 20 0 DCADHO COCCNc1cccc(F)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219297402 774439191 /nfs/dbraw/zinc/43/91/91/774439191.db2.gz PGELRQPOWBCRED-LLVKDONJSA-N 1 3 322.384 0.632 20 0 DCADHO COC(=O)c1ccc(N(C(=O)[C@@H](N)CCC[NH3+])C2CC2)c(N)c1 ZINC001219313506 774444634 /nfs/dbraw/zinc/44/46/34/774444634.db2.gz YYEBMNRVIQXVPT-LBPRGKRZSA-N 1 3 320.393 0.617 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053491 774445246 /nfs/dbraw/zinc/44/52/46/774445246.db2.gz QQVWJVKZUWGHDZ-HNNXBMFYSA-N 1 3 310.442 0.043 20 0 DCADHO CN1c2ccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2CNC1=O ZINC001219335223 774452839 /nfs/dbraw/zinc/45/28/39/774452839.db2.gz VJIUQKKSPZYIFU-AWEZNQCLSA-N 1 3 317.393 0.611 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2 ZINC001219365076 774465089 /nfs/dbraw/zinc/46/50/89/774465089.db2.gz UERMXUIRDUBEDA-CQSZACIVSA-N 1 3 302.378 0.810 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201410059 774510167 /nfs/dbraw/zinc/51/01/67/774510167.db2.gz AWSQIOANCWLVLE-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCOCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201493370 774517167 /nfs/dbraw/zinc/51/71/67/774517167.db2.gz DONQAKFDPLTOJJ-HNNXBMFYSA-N 1 3 324.425 0.586 20 0 DCADHO CC[C@H](C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1)OC ZINC001201480818 774519623 /nfs/dbraw/zinc/51/96/23/774519623.db2.gz BFWHWKSMGZPCKC-CABCVRRESA-N 1 3 324.425 0.584 20 0 DCADHO CO[C@@H]1CCN[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219540835 774530848 /nfs/dbraw/zinc/53/08/48/774530848.db2.gz JDVCUAZPZXSHHH-UQFNBPPOSA-N 1 3 317.389 0.840 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(F)(F)F ZINC001219553665 774535436 /nfs/dbraw/zinc/53/54/36/774535436.db2.gz FUUDVXDXAITSHR-UWVGGRQHSA-N 1 3 324.347 0.112 20 0 DCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@](C)(N)CO)CC21CC[NH2+]CC1 ZINC001219754466 774599365 /nfs/dbraw/zinc/59/93/65/774599365.db2.gz RWDOYUMNURINNA-RDJZCZTQSA-N 1 3 317.433 0.887 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769240 774601688 /nfs/dbraw/zinc/60/16/88/774601688.db2.gz URSZRYYFENRPCY-HUBLWGQQSA-N 1 3 316.421 0.072 20 0 DCADHO COc1ccc(CCNC(=O)[C@@H](N)CSCC[NH3+])cc1O ZINC001219910321 774644487 /nfs/dbraw/zinc/64/44/87/774644487.db2.gz XSJZAROKXPPTTP-NSHDSACASA-N 1 3 313.423 0.079 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219918089 774645648 /nfs/dbraw/zinc/64/56/48/774645648.db2.gz DRAYUKLJYGAVCK-ZBFHGGJFSA-N 1 3 323.437 0.602 20 0 DCADHO CCOC(=O)Cc1ccc(CNC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001220009404 774668933 /nfs/dbraw/zinc/66/89/33/774668933.db2.gz LHYSZDBCJHIPMB-HNNXBMFYSA-N 1 3 321.421 0.865 20 0 DCADHO CC1(C)CC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC(C)(C)N1O ZINC001220049257 774681762 /nfs/dbraw/zinc/68/17/62/774681762.db2.gz FLUHOTBLUGMHNY-SJKOYZFVSA-N 1 3 324.469 0.713 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001110682882 774708454 /nfs/dbraw/zinc/70/84/54/774708454.db2.gz HGBBZNGLOMHXIE-FPCVCCKLSA-N 1 3 309.454 0.965 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001110682882 774708461 /nfs/dbraw/zinc/70/84/61/774708461.db2.gz HGBBZNGLOMHXIE-FPCVCCKLSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccn(C)c(=O)c1 ZINC001220179543 774722917 /nfs/dbraw/zinc/72/29/17/774722917.db2.gz MUEAUOBWZKVYMM-AWEZNQCLSA-N 1 3 308.426 0.497 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496132 774724920 /nfs/dbraw/zinc/72/49/20/774724920.db2.gz OQRIKDBEBIXSAS-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202496180 774725603 /nfs/dbraw/zinc/72/56/03/774725603.db2.gz PYCHCOQKABVDIV-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CCOC(CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)OCC ZINC001220230793 774740758 /nfs/dbraw/zinc/74/07/58/774740758.db2.gz QHENEYYXORVYOC-CYBMUJFWSA-N 1 3 313.442 0.766 20 0 DCADHO CCOC(CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)OCC ZINC001220230793 774740761 /nfs/dbraw/zinc/74/07/61/774740761.db2.gz QHENEYYXORVYOC-CYBMUJFWSA-N 1 3 313.442 0.766 20 0 DCADHO N[C@H](C(=O)NCCC(=O)Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001220268656 774750571 /nfs/dbraw/zinc/75/05/71/774750571.db2.gz NELIPCHDEWTENX-HNNXBMFYSA-N 1 3 322.384 0.597 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220499733 774827091 /nfs/dbraw/zinc/82/70/91/774827091.db2.gz BYKVNKDUNRFEQW-YUTCNCBUSA-N 1 3 304.394 0.141 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)CCC1 ZINC001114406757 774843444 /nfs/dbraw/zinc/84/34/44/774843444.db2.gz KODYPDDLTRAINT-BYNSBNAKSA-N 1 3 307.438 0.554 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)CCC1 ZINC001114406757 774843450 /nfs/dbraw/zinc/84/34/50/774843450.db2.gz KODYPDDLTRAINT-BYNSBNAKSA-N 1 3 307.438 0.554 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001220717028 774901380 /nfs/dbraw/zinc/90/13/80/774901380.db2.gz XKTCSSZTWZDMKW-XPCVCDNBSA-N 1 3 305.426 0.421 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220717028 774901384 /nfs/dbraw/zinc/90/13/84/774901384.db2.gz XKTCSSZTWZDMKW-XPCVCDNBSA-N 1 3 305.426 0.421 20 0 DCADHO CC(=O)NCCCCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220759387 774910118 /nfs/dbraw/zinc/91/01/18/774910118.db2.gz YECQWNZVULZBPS-HNNXBMFYSA-N 1 3 314.474 0.905 20 0 DCADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788794 774915523 /nfs/dbraw/zinc/91/55/23/774915523.db2.gz GNUVPEFECVCTAQ-DZKIICNBSA-N 1 3 304.394 0.227 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CNC[C@H](F)C1 ZINC001220790105 774916585 /nfs/dbraw/zinc/91/65/85/774916585.db2.gz OSKXSDTZOLVBCU-GBJTYRQASA-N 1 3 306.385 0.796 20 0 DCADHO O=C(N[C@H]1COc2ccc(Cl)cc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220955911 774961660 /nfs/dbraw/zinc/96/16/60/774961660.db2.gz RPELTJDCADSXRO-NEPJUHHUSA-N 1 3 307.781 0.699 20 0 DCADHO O=C(N[C@H]1COc2ccc(Cl)cc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220955913 774961739 /nfs/dbraw/zinc/96/17/39/774961739.db2.gz RPELTJDCADSXRO-RYUDHWBXSA-N 1 3 307.781 0.699 20 0 DCADHO NC[C@H](N)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002135 774975085 /nfs/dbraw/zinc/97/50/85/774975085.db2.gz GIVVXFHULUXHIN-YDHLFZDLSA-N 1 3 308.401 0.710 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221036950 774983646 /nfs/dbraw/zinc/98/36/46/774983646.db2.gz MOPXZLGQNZQMGU-GJZGRUSLSA-N 1 3 309.385 0.956 20 0 DCADHO CN1CCC[C@](C)(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001221241661 775039057 /nfs/dbraw/zinc/03/90/57/775039057.db2.gz WMDXFAGZHCKYPE-VYDXJSESSA-N 1 3 308.470 0.661 20 0 DCADHO N[C@@H](C(=O)NCc1ccc2oc(=O)[nH]c2c1)C1CC[NH2+]CC1 ZINC001221384385 775080893 /nfs/dbraw/zinc/08/08/93/775080893.db2.gz DRZRJXCQCOWIIJ-CYBMUJFWSA-N 1 3 304.350 0.477 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)NC1 ZINC001221390549 775083475 /nfs/dbraw/zinc/08/34/75/775083475.db2.gz FABQGYUMEYNOSV-PBHICJAKSA-N 1 3 302.422 0.554 20 0 DCADHO COc1cnccc1[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221410655 775092768 /nfs/dbraw/zinc/09/27/68/775092768.db2.gz WSTLHICLIZGOGS-HIFRSBDPSA-N 1 3 316.405 0.467 20 0 DCADHO CCOC(=O)[C@H]1CNCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC001222081411 775264167 /nfs/dbraw/zinc/26/41/67/775264167.db2.gz WOFGHUPAOSOKGZ-LLVKDONJSA-N 1 3 310.423 0.126 20 0 DCADHO C(C[NH2+]C1CCCCC1)CN1CCOC[C@]2(CNCCO2)C1 ZINC001222186718 775293814 /nfs/dbraw/zinc/29/38/14/775293814.db2.gz PODNDGDAOUKMDF-KRWDZBQOSA-N 1 3 311.470 0.990 20 0 DCADHO C[C@H]1CNCC(F)(F)[C@H]1CN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515720 775375646 /nfs/dbraw/zinc/37/56/46/775375646.db2.gz YWDPXHHOQVZZBQ-RYUDHWBXSA-N 1 3 316.396 0.031 20 0 DCADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095785495 775668345 /nfs/dbraw/zinc/66/83/45/775668345.db2.gz WOIZEGXJWFXAQC-PXZCVYSUSA-N 1 3 319.449 0.980 20 0 DCADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095785495 775668347 /nfs/dbraw/zinc/66/83/47/775668347.db2.gz WOIZEGXJWFXAQC-PXZCVYSUSA-N 1 3 319.449 0.980 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC2=O)CCC1 ZINC001226782813 775877136 /nfs/dbraw/zinc/87/71/36/775877136.db2.gz SKKOJCHJLSWOCA-MCIONIFRSA-N 1 3 322.453 0.376 20 0 DCADHO CN(C)[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC001227797895 776009528 /nfs/dbraw/zinc/00/95/28/776009528.db2.gz OTTWONMSHSTSBM-XJKSGUPXSA-N 1 3 309.454 0.944 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227832153 776013597 /nfs/dbraw/zinc/01/35/97/776013597.db2.gz FAZTVSGSLYAOGS-HNNXBMFYSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1)N(C)C ZINC001227979195 776032520 /nfs/dbraw/zinc/03/25/20/776032520.db2.gz BELHOCJJLNTUDQ-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@H](C(=O)NC1CC[NH+](CCc2ccnn2C)CC1)N(C)C ZINC001227979179 776032617 /nfs/dbraw/zinc/03/26/17/776032617.db2.gz AUVDIUGOLKBKNS-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365393 776075989 /nfs/dbraw/zinc/07/59/89/776075989.db2.gz FHQRHVRDZSGZIK-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO Cc1ncccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774406 776119933 /nfs/dbraw/zinc/11/99/33/776119933.db2.gz NSLLVTSEPDTHMA-QLPKVWCKSA-N 1 3 302.422 0.888 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001229908576 776235337 /nfs/dbraw/zinc/23/53/37/776235337.db2.gz MNJBHZSQOMXNDD-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(CCc2ccnn2C)CC1 ZINC001229908576 776235343 /nfs/dbraw/zinc/23/53/43/776235343.db2.gz MNJBHZSQOMXNDD-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284669 776276055 /nfs/dbraw/zinc/27/60/55/776276055.db2.gz PTNBDHPTARONHJ-MGPQQGTHSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1)N(C)C ZINC001041645192 777406809 /nfs/dbraw/zinc/40/68/09/777406809.db2.gz JKYMNIPXDQMAGF-WBVHZDCISA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1)N(C)C ZINC001041645192 777406815 /nfs/dbraw/zinc/40/68/15/777406815.db2.gz JKYMNIPXDQMAGF-WBVHZDCISA-N 1 3 311.470 0.879 20 0 DCADHO O=C(N1CC[C@@H]2CCN(CCO)[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001042132084 777722985 /nfs/dbraw/zinc/72/29/85/777722985.db2.gz CYSUSTGHWIKUDE-LSDHHAIUSA-N 1 3 307.438 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC(C)C ZINC001317593465 945094372 /nfs/dbraw/zinc/09/43/72/945094372.db2.gz WHHDTGOFJFWCGS-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC(C)C ZINC001317593465 945094387 /nfs/dbraw/zinc/09/43/87/945094387.db2.gz WHHDTGOFJFWCGS-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001317641648 945136978 /nfs/dbraw/zinc/13/69/78/945136978.db2.gz BFPSBRDNBTVSLC-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001317641648 945136981 /nfs/dbraw/zinc/13/69/81/945136981.db2.gz BFPSBRDNBTVSLC-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(CC(C)(C)C)C[C@H]23)CC1 ZINC001278109505 945140264 /nfs/dbraw/zinc/14/02/64/945140264.db2.gz MEDRUYFFLZEABO-UONOGXRCSA-N 1 3 322.453 0.930 20 0 DCADHO CCNC(=O)CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397484691 939135281 /nfs/dbraw/zinc/13/52/81/939135281.db2.gz AMQHXADWSWGWHJ-UHFFFAOYSA-N 1 3 305.422 0.739 20 0 DCADHO CN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)CN(C)C1CCC1 ZINC001266726290 939221774 /nfs/dbraw/zinc/22/17/74/939221774.db2.gz OWEMRWKVMLVPDD-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001266988697 939298807 /nfs/dbraw/zinc/29/88/07/939298807.db2.gz OCMTWINBCPODTK-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001267117055 939350003 /nfs/dbraw/zinc/35/00/03/939350003.db2.gz MFZGIDIUUKFGEP-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001267117055 939350008 /nfs/dbraw/zinc/35/00/08/939350008.db2.gz MFZGIDIUUKFGEP-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001481304623 939734597 /nfs/dbraw/zinc/73/45/97/939734597.db2.gz XDXAEPIUMUGMCT-OAHLLOKOSA-N 1 3 309.458 0.888 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481498198 939902750 /nfs/dbraw/zinc/90/27/50/939902750.db2.gz PJFHLHCAIICJTG-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCC(=O)NC ZINC001481854636 940162433 /nfs/dbraw/zinc/16/24/33/940162433.db2.gz FOPFDOOKDANTPE-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CCNCC(=O)NCC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001268475361 940172455 /nfs/dbraw/zinc/17/24/55/940172455.db2.gz AUDBPPSXOSDQIW-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1)N(C)C ZINC001482018815 940207233 /nfs/dbraw/zinc/20/72/33/940207233.db2.gz VFNXERLEHFTSCH-RBSFLKMASA-N 1 3 322.457 0.635 20 0 DCADHO CN1CCC[C@@H](NC/C=C\CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001268588556 940271029 /nfs/dbraw/zinc/27/10/29/940271029.db2.gz SMKRGUGJSZISCX-ABCZVMIZSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001268673795 940327220 /nfs/dbraw/zinc/32/72/20/940327220.db2.gz KEKNVEGNOKMRPZ-KGLIPLIRSA-N 1 3 308.430 0.247 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cncn1C)N(C)C ZINC001268799284 940364866 /nfs/dbraw/zinc/36/48/66/940364866.db2.gz XDBMLKJRRDLEMM-HNNXBMFYSA-N 1 3 309.458 0.944 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+]Cc2cnnn2C)CC1 ZINC001268893848 940399771 /nfs/dbraw/zinc/39/97/71/940399771.db2.gz IRPQSGDYQSYXII-UHFFFAOYSA-N 1 3 322.457 0.485 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCn2cccn2)C2CC2)CCC1 ZINC001269080264 940611803 /nfs/dbraw/zinc/61/18/03/940611803.db2.gz YIJXNKGOIKVSBQ-OAHLLOKOSA-N 1 3 319.453 0.852 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001482230106 940728177 /nfs/dbraw/zinc/72/81/77/940728177.db2.gz MPWQWIBRRDXRRW-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO Brc1cc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)on1 ZINC001246199989 945362512 /nfs/dbraw/zinc/36/25/12/945362512.db2.gz ZPVZDNYYPSDHCB-MRVPVSSYSA-N 1 3 301.188 0.621 20 0 DCADHO C[C@H](C[NH2+]CCn1cccn1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001482330074 940998920 /nfs/dbraw/zinc/99/89/20/940998920.db2.gz GTMYZDQLVPBVBY-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338840 941005315 /nfs/dbraw/zinc/00/53/15/941005315.db2.gz KTUFFKFLLYVNCP-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001271113260 941265957 /nfs/dbraw/zinc/26/59/57/941265957.db2.gz NBCLQTLFARSFNR-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO Cc1nccnc1CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001482572074 941512467 /nfs/dbraw/zinc/51/24/67/941512467.db2.gz WZVJHYSYXLCYJC-CABCVRRESA-N 1 3 319.453 0.967 20 0 DCADHO Cc1nccnc1CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001482572074 941512468 /nfs/dbraw/zinc/51/24/68/941512468.db2.gz WZVJHYSYXLCYJC-CABCVRRESA-N 1 3 319.453 0.967 20 0 DCADHO Cc1nccnc1CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001482572075 941512509 /nfs/dbraw/zinc/51/25/09/941512509.db2.gz WZVJHYSYXLCYJC-GJZGRUSLSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1nccnc1CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001482572075 941512512 /nfs/dbraw/zinc/51/25/12/941512512.db2.gz WZVJHYSYXLCYJC-GJZGRUSLSA-N 1 3 319.453 0.967 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC/C=C/Cl ZINC001482738956 941650429 /nfs/dbraw/zinc/65/04/29/941650429.db2.gz NPYFDCWHSYXPRT-FVBNKSNASA-N 1 3 303.834 0.680 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC/C=C/Cl ZINC001482738956 941650431 /nfs/dbraw/zinc/65/04/31/941650431.db2.gz NPYFDCWHSYXPRT-FVBNKSNASA-N 1 3 303.834 0.680 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1)N(C)C ZINC001482787145 941670816 /nfs/dbraw/zinc/67/08/16/941670816.db2.gz IWSUGRFFNQSJMY-CVEARBPZSA-N 1 3 307.438 0.840 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC1CC2(CCC2)C1 ZINC001482789213 941671751 /nfs/dbraw/zinc/67/17/51/941671751.db2.gz SZAXATIHQPALQH-CQSZACIVSA-N 1 3 320.437 0.908 20 0 DCADHO Cc1nccnc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC001482861342 941690676 /nfs/dbraw/zinc/69/06/76/941690676.db2.gz VNYDVYFXCXWEOR-IUODEOHRSA-N 1 3 305.426 0.864 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)CN(C)C1CCC1 ZINC001483136760 941902660 /nfs/dbraw/zinc/90/26/60/941902660.db2.gz BLHIYBSWDXQSCQ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)CCC[NH+](C)C ZINC001483161549 941916222 /nfs/dbraw/zinc/91/62/22/941916222.db2.gz MMULLNAAHYJDAD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001409432484 941997499 /nfs/dbraw/zinc/99/74/99/941997499.db2.gz MAIFNNXWUDWVBL-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc(=O)[nH]c4)CC3)[C@H]2C1 ZINC001276346598 942095270 /nfs/dbraw/zinc/09/52/70/942095270.db2.gz BLVPFQSHJVICEE-KBPBESRZSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4ccc(=O)[nH]c4)CC3)[C@H]2C1 ZINC001276346598 942095276 /nfs/dbraw/zinc/09/52/76/942095276.db2.gz BLVPFQSHJVICEE-KBPBESRZSA-N 1 3 316.405 0.429 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483266379 942220302 /nfs/dbraw/zinc/22/03/02/942220302.db2.gz JUDAJIARZINJCI-NHYWBVRUSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483266379 942220309 /nfs/dbraw/zinc/22/03/09/942220309.db2.gz JUDAJIARZINJCI-NHYWBVRUSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001483266379 942220316 /nfs/dbraw/zinc/22/03/16/942220316.db2.gz JUDAJIARZINJCI-NHYWBVRUSA-N 1 3 316.421 0.039 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001127066368 942425619 /nfs/dbraw/zinc/42/56/19/942425619.db2.gz MKLBIYQVLRRYJX-CQSZACIVSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001127066368 942425621 /nfs/dbraw/zinc/42/56/21/942425621.db2.gz MKLBIYQVLRRYJX-CQSZACIVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001483924372 943027123 /nfs/dbraw/zinc/02/71/23/943027123.db2.gz HQPWREVFDKCQMI-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO COCCN1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484253091 943266978 /nfs/dbraw/zinc/26/69/78/943266978.db2.gz UTLNERHWUQCJEE-INIZCTEOSA-N 1 3 313.442 0.062 20 0 DCADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]CC1CCCCC1 ZINC001484495782 943428939 /nfs/dbraw/zinc/42/89/39/943428939.db2.gz SAGMMLGDNREHQD-UHFFFAOYSA-N 1 3 308.426 0.943 20 0 DCADHO CN(CC(=O)N1CC2(C1)CC[NH+](CCO)CC2)CC(C)(C)C ZINC001484583073 943458283 /nfs/dbraw/zinc/45/82/83/943458283.db2.gz VPQZKPQXBZQPFI-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484641281 943488846 /nfs/dbraw/zinc/48/88/46/943488846.db2.gz SREFQGVAYPDOQL-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484641281 943488849 /nfs/dbraw/zinc/48/88/49/943488849.db2.gz SREFQGVAYPDOQL-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CN(CC(=O)N1CCO[C@H](C[NH2+]CCCF)C1)C1CCC1 ZINC001484681231 943502621 /nfs/dbraw/zinc/50/26/21/943502621.db2.gz VCSQTXAMGSUQQG-CQSZACIVSA-N 1 3 301.406 0.647 20 0 DCADHO COc1ccc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cn1 ZINC001484896944 943620309 /nfs/dbraw/zinc/62/03/09/943620309.db2.gz FBGKDUXAYJZAEK-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001484905901 943622441 /nfs/dbraw/zinc/62/24/41/943622441.db2.gz POFVASSFYKEISO-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NC1(CO)CC[NH+]([C@@H](C)COC)CC1)N(C)C ZINC001485023289 943663190 /nfs/dbraw/zinc/66/31/90/943663190.db2.gz FIFRGBPYSZCNBM-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001490928945 943680422 /nfs/dbraw/zinc/68/04/22/943680422.db2.gz WJSREZBBLIVXPN-QEJZJMRPSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001485686178 944080683 /nfs/dbraw/zinc/08/06/83/944080683.db2.gz KMTRZMWWSYLJRU-OBJOEFQTSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491545524 944103889 /nfs/dbraw/zinc/10/38/89/944103889.db2.gz CFNAHPSALWWLNG-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491545519 944103952 /nfs/dbraw/zinc/10/39/52/944103952.db2.gz CFNAHPSALWWLNG-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690770 944145860 /nfs/dbraw/zinc/14/58/60/944145860.db2.gz SIUDVDJDZFBMMQ-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690770 944145862 /nfs/dbraw/zinc/14/58/62/944145862.db2.gz SIUDVDJDZFBMMQ-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO COCCOCN1CC2(C1)CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001276452851 944178026 /nfs/dbraw/zinc/17/80/26/944178026.db2.gz BZEPANIQXRDHLN-UHFFFAOYSA-N 1 3 311.470 0.956 20 0 DCADHO Cc1cnc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001272815779 944254968 /nfs/dbraw/zinc/25/49/68/944254968.db2.gz RFTQGTADCIFQCC-KRWDZBQOSA-N 1 3 317.437 0.771 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CCNCc1ccn(C)n1)[NH+](C)C ZINC001272845188 944277009 /nfs/dbraw/zinc/27/70/09/944277009.db2.gz PQNDVSNZVZKOCB-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001485908607 944398509 /nfs/dbraw/zinc/39/85/09/944398509.db2.gz VYWICUKTHYAOIR-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)C1 ZINC001316924337 944650296 /nfs/dbraw/zinc/65/02/96/944650296.db2.gz NHSLSYIGRWWGDF-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)C1 ZINC001316924337 944650300 /nfs/dbraw/zinc/65/03/00/944650300.db2.gz NHSLSYIGRWWGDF-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nc(CNC(=O)[C@]23C[C@H]2CCN3CC2CC[NH2+]CC2)no1 ZINC001277821046 944994052 /nfs/dbraw/zinc/99/40/52/944994052.db2.gz BUBWBPRYGCVSFG-CJNGLKHVSA-N 1 3 319.409 0.458 20 0 DCADHO COC(=O)C1C[C@@H]2CC([NH2+]C[C@@H]3CSCCN3)C[C@H](C1)N2 ZINC001246333834 945387281 /nfs/dbraw/zinc/38/72/81/945387281.db2.gz ARXYMAWGSOYDTA-MYXTYHMWSA-N 1 3 313.467 0.353 20 0 DCADHO O=S1(=O)CCC(Cc2cccnc2)([NH2+][C@H]2CCCNC2)CC1 ZINC001246390188 945402008 /nfs/dbraw/zinc/40/20/08/945402008.db2.gz JAOVJEPXQVVRCO-HNNXBMFYSA-N 1 3 323.462 0.913 20 0 DCADHO CN(C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318626654 945414207 /nfs/dbraw/zinc/41/42/07/945414207.db2.gz UGAJNIUJCWCVDJ-UHFFFAOYSA-N 1 3 318.421 0.899 20 0 DCADHO c1cc(CN2CCC(N3CCNC[C@@]34CC[NH2+]C4)CC2)ccn1 ZINC001246622718 945444552 /nfs/dbraw/zinc/44/45/52/945444552.db2.gz IJRXSGDXEVMXRH-SFHVURJKSA-N 1 3 315.465 0.683 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246707044 945467001 /nfs/dbraw/zinc/46/70/01/945467001.db2.gz YNXKSVAVTQYVBO-OXGONZEZSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246707044 945467004 /nfs/dbraw/zinc/46/70/04/945467004.db2.gz YNXKSVAVTQYVBO-OXGONZEZSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1C[C@H](N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CC[NH2+]1 ZINC001246707044 945467010 /nfs/dbraw/zinc/46/70/10/945467010.db2.gz YNXKSVAVTQYVBO-OXGONZEZSA-N 1 3 309.454 0.942 20 0 DCADHO O=C1[C@H]2C[N@@H+](C3CCNCC3)C[C@H]2CN1Cc1ccncc1 ZINC001246729108 945474765 /nfs/dbraw/zinc/47/47/65/945474765.db2.gz NGVPNBCJXKLYRX-HOCLYGCPSA-N 1 3 300.406 0.724 20 0 DCADHO O=C1[C@H]2C[N@H+](C3CCNCC3)C[C@H]2CN1Cc1ccncc1 ZINC001246729108 945474771 /nfs/dbraw/zinc/47/47/71/945474771.db2.gz NGVPNBCJXKLYRX-HOCLYGCPSA-N 1 3 300.406 0.724 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21)NCC1CC1 ZINC001246737270 945477725 /nfs/dbraw/zinc/47/77/25/945477725.db2.gz ARHSAUWBNJHHOK-INMHGKMJSA-N 1 3 321.465 0.849 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21)NCC1CC1 ZINC001246737270 945477730 /nfs/dbraw/zinc/47/77/30/945477730.db2.gz ARHSAUWBNJHHOK-INMHGKMJSA-N 1 3 321.465 0.849 20 0 DCADHO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246742402 945478281 /nfs/dbraw/zinc/47/82/81/945478281.db2.gz YLRIHEZDSIAMBS-FPCVCCKLSA-N 1 3 309.454 0.848 20 0 DCADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1 ZINC001246746092 945481535 /nfs/dbraw/zinc/48/15/35/945481535.db2.gz QZNPGKZJYIERPI-ZDRJDWQYSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1 ZINC001246746092 945481539 /nfs/dbraw/zinc/48/15/39/945481539.db2.gz QZNPGKZJYIERPI-ZDRJDWQYSA-N 1 3 321.465 0.992 20 0 DCADHO COc1ccnc(-c2noc(C34CNCC3C[NH2+]C4)n2)c1F ZINC001247850970 945577983 /nfs/dbraw/zinc/57/79/83/945577983.db2.gz LHKHCQXKOJNESA-UHFFFAOYSA-N 1 3 305.313 0.340 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)n1 ZINC001319438221 945588150 /nfs/dbraw/zinc/58/81/50/945588150.db2.gz YMHRRCQWPDDQID-GXTWGEPZSA-N 1 3 323.441 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(C)(C)C ZINC001320644026 945960534 /nfs/dbraw/zinc/96/05/34/945960534.db2.gz JGBSCVZWHSIVMT-ZDUSSCGKSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)OC[C@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252680527 945984157 /nfs/dbraw/zinc/98/41/57/945984157.db2.gz BMWVSDSSLUXXRJ-QGZVFWFLSA-N 1 3 313.486 0.732 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOCCO)C(C)(C)C1)N(C)C ZINC001278684955 946018324 /nfs/dbraw/zinc/01/83/24/946018324.db2.gz PCCJKPKTPLQPDV-UONOGXRCSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)[C@H]1CCCN1C ZINC001320810859 946027908 /nfs/dbraw/zinc/02/79/08/946027908.db2.gz DRZZTAJWVNZYGG-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO O=C1CC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252944660 946037531 /nfs/dbraw/zinc/03/75/31/946037531.db2.gz SXFZNBBRBRKNSN-RDJZCZTQSA-N 1 3 303.406 0.492 20 0 DCADHO O=C1CC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252944660 946037541 /nfs/dbraw/zinc/03/75/41/946037541.db2.gz SXFZNBBRBRKNSN-RDJZCZTQSA-N 1 3 303.406 0.492 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320901289 946060318 /nfs/dbraw/zinc/06/03/18/946060318.db2.gz IVVGRFGSZJMOEO-HNNXBMFYSA-N 1 3 309.458 0.944 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001410232537 946069716 /nfs/dbraw/zinc/06/97/16/946069716.db2.gz ZYAIYYRXKDOKRT-HDJSIYSDSA-N 1 3 307.442 0.746 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253160366 946076896 /nfs/dbraw/zinc/07/68/96/946076896.db2.gz NPEXGZMJUREILD-SJORKVTESA-N 1 3 322.449 0.893 20 0 DCADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253160366 946076906 /nfs/dbraw/zinc/07/69/06/946076906.db2.gz NPEXGZMJUREILD-SJORKVTESA-N 1 3 322.449 0.893 20 0 DCADHO OC[C@@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC001254033909 946222884 /nfs/dbraw/zinc/22/28/84/946222884.db2.gz AIMWLMHRXZUOEG-IRXDYDNUSA-N 1 3 320.433 0.299 20 0 DCADHO OC[C@@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC001254033909 946222896 /nfs/dbraw/zinc/22/28/96/946222896.db2.gz AIMWLMHRXZUOEG-IRXDYDNUSA-N 1 3 320.433 0.299 20 0 DCADHO C[N@H+](C[C@@H](O)CO)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254035857 946224218 /nfs/dbraw/zinc/22/42/18/946224218.db2.gz KXEMGKBHXQWUMU-MRXNPFEDSA-N 1 3 308.422 0.299 20 0 DCADHO C[N@@H+](C[C@@H](O)CO)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254035857 946224233 /nfs/dbraw/zinc/22/42/33/946224233.db2.gz KXEMGKBHXQWUMU-MRXNPFEDSA-N 1 3 308.422 0.299 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001410371690 946264516 /nfs/dbraw/zinc/26/45/16/946264516.db2.gz AVVWXARRANXTQM-CFVMTHIKSA-N 1 3 324.469 0.289 20 0 DCADHO NCCC[NH2+]CCCCn1cc(-c2cnc3cccnn32)nn1 ZINC001254162998 946324891 /nfs/dbraw/zinc/32/48/91/946324891.db2.gz KVIPUAACPOTRIS-UHFFFAOYSA-N 1 3 314.397 0.706 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@H]1CCc2ncnn21 ZINC001321420997 946325796 /nfs/dbraw/zinc/32/57/96/946325796.db2.gz VIQZRXHOFHXOIU-ISZGNANSSA-N 1 3 320.441 0.368 20 0 DCADHO CN1CCC[C@@H]([N@@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC001254529441 946407279 /nfs/dbraw/zinc/40/72/79/946407279.db2.gz FVUBXNHLIVNLLG-JKSUJKDBSA-N 1 3 324.469 0.977 20 0 DCADHO CN1CCC[C@@H]([N@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC001254529441 946407283 /nfs/dbraw/zinc/40/72/83/946407283.db2.gz FVUBXNHLIVNLLG-JKSUJKDBSA-N 1 3 324.469 0.977 20 0 DCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC[C@H](O)C[NH3+])CS2 ZINC001254682195 946420347 /nfs/dbraw/zinc/42/03/47/946420347.db2.gz XKQDSRACUMMUBV-GHMZBOCLSA-N 1 3 317.455 0.391 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001410476871 946468831 /nfs/dbraw/zinc/46/88/31/946468831.db2.gz ACTZTKJFPMDPHF-JSGCOSHPSA-N 1 3 312.458 0.384 20 0 DCADHO CN1CC[C@@H]([NH2+]CC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001255421542 946500029 /nfs/dbraw/zinc/50/00/29/946500029.db2.gz QXSMSWPAWMCORF-OAHLLOKOSA-N 1 3 308.470 0.757 20 0 DCADHO C[N@@H+]1CCC[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001255485736 946515665 /nfs/dbraw/zinc/51/56/65/946515665.db2.gz QYWPGKVBGLIDRD-ZDUSSCGKSA-N 1 3 317.437 0.935 20 0 DCADHO C[N@H+]1CCC[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001255485736 946515671 /nfs/dbraw/zinc/51/56/71/946515671.db2.gz QYWPGKVBGLIDRD-ZDUSSCGKSA-N 1 3 317.437 0.935 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001322443280 946680617 /nfs/dbraw/zinc/68/06/17/946680617.db2.gz WEBCDCSCATUXGB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001322830477 946826442 /nfs/dbraw/zinc/82/64/42/946826442.db2.gz AKJDAQCXABVBOT-AWEZNQCLSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ncn1 ZINC001322830477 946826450 /nfs/dbraw/zinc/82/64/50/946826450.db2.gz AKJDAQCXABVBOT-AWEZNQCLSA-N 1 3 305.426 0.675 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001410775035 946922646 /nfs/dbraw/zinc/92/26/46/946922646.db2.gz FPSNHUNSRSRTJP-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001410915576 947118074 /nfs/dbraw/zinc/11/80/74/947118074.db2.gz KVCBMKGERBCTEK-HUUCEWRRSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H](C)[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001323749688 947192524 /nfs/dbraw/zinc/19/25/24/947192524.db2.gz XEWYATYBUMJJQX-ZIAGYGMSSA-N 1 3 314.474 0.489 20 0 DCADHO COCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001325152658 947681782 /nfs/dbraw/zinc/68/17/82/947681782.db2.gz BCDDXQZDRQKKRB-HOCLYGCPSA-N 1 3 315.458 0.162 20 0 DCADHO COCCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001325152658 947681793 /nfs/dbraw/zinc/68/17/93/947681793.db2.gz BCDDXQZDRQKKRB-HOCLYGCPSA-N 1 3 315.458 0.162 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC001325345954 947763331 /nfs/dbraw/zinc/76/33/31/947763331.db2.gz JRSWJAVPWNYTQC-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cc(Cl)n1 ZINC001263155759 947813937 /nfs/dbraw/zinc/81/39/37/947813937.db2.gz FHVCCNMNOYMFBB-NWDGAFQWSA-N 1 3 324.812 0.680 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486691 947851688 /nfs/dbraw/zinc/85/16/88/947851688.db2.gz PNDFEYZXZCWQGF-RDBSUJKOSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273716216 948046241 /nfs/dbraw/zinc/04/62/41/948046241.db2.gz GKDXUPWYHCMAAU-HNNXBMFYSA-N 1 3 309.458 0.944 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001487787112 948276557 /nfs/dbraw/zinc/27/65/57/948276557.db2.gz TXFYHRLXLAQFIJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001487787112 948276566 /nfs/dbraw/zinc/27/65/66/948276566.db2.gz TXFYHRLXLAQFIJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO COC(=O)[C@@H](O)C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383175231 948739794 /nfs/dbraw/zinc/73/97/94/948739794.db2.gz FCDQJVUCEDDBLK-HOTGVXAUSA-N 1 3 306.406 0.974 20 0 DCADHO COC(=O)[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383175231 948739797 /nfs/dbraw/zinc/73/97/97/948739797.db2.gz FCDQJVUCEDDBLK-HOTGVXAUSA-N 1 3 306.406 0.974 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001328826439 949119278 /nfs/dbraw/zinc/11/92/78/949119278.db2.gz XUIIVIYXROXVKK-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001328826439 949119288 /nfs/dbraw/zinc/11/92/88/949119288.db2.gz XUIIVIYXROXVKK-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001489745186 949981436 /nfs/dbraw/zinc/98/14/36/949981436.db2.gz DXELSABTEJOROO-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001489745186 949981452 /nfs/dbraw/zinc/98/14/52/949981452.db2.gz DXELSABTEJOROO-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265882528 950087129 /nfs/dbraw/zinc/08/71/29/950087129.db2.gz VZOJOOXEFWKGFO-CYBMUJFWSA-N 1 3 321.425 0.307 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265949592 950182556 /nfs/dbraw/zinc/18/25/56/950182556.db2.gz UUJOYPVILLVGRC-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO COCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001330340384 950288730 /nfs/dbraw/zinc/28/87/30/950288730.db2.gz PXFYAONOFZUSFW-FPCVCCKLSA-N 1 3 309.454 0.659 20 0 DCADHO COCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001330340384 950288745 /nfs/dbraw/zinc/28/87/45/950288745.db2.gz PXFYAONOFZUSFW-FPCVCCKLSA-N 1 3 309.454 0.659 20 0 DCADHO COCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001330404153 950359807 /nfs/dbraw/zinc/35/98/07/950359807.db2.gz MXKRUOLHXIWMQD-UONOGXRCSA-N 1 3 313.442 0.323 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[C@H]1CCCN1CC(N)=O)[NH+](C)C ZINC001266241060 950517325 /nfs/dbraw/zinc/51/73/25/950517325.db2.gz JBMXBRHPXOKSGK-ZFWWWQNUSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001330880183 950733730 /nfs/dbraw/zinc/73/37/30/950733730.db2.gz QJJOQZKANLZELC-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCCCC1 ZINC001331112816 950921801 /nfs/dbraw/zinc/92/18/01/950921801.db2.gz GZAZFMWRSRBWHV-BETUJISGSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]([NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1)C(N)=O ZINC001490665927 950968992 /nfs/dbraw/zinc/96/89/92/950968992.db2.gz XLERNNXIXYJXSC-TZMCWYRMSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001490675760 950980483 /nfs/dbraw/zinc/98/04/83/950980483.db2.gz ZHXWGWNCANSVNC-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C(=O)CN[C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001490681577 950991789 /nfs/dbraw/zinc/99/17/89/950991789.db2.gz QULPYYSXQOVCHA-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)CC[N@@H+]1C ZINC001490664086 951019892 /nfs/dbraw/zinc/01/98/92/951019892.db2.gz DJKSNVRALKIKSJ-KCPJHIHWSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)CC[N@H+]1C ZINC001490664086 951019906 /nfs/dbraw/zinc/01/99/06/951019906.db2.gz DJKSNVRALKIKSJ-KCPJHIHWSA-N 1 3 322.453 0.090 20 0 DCADHO CCCCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028491 951439962 /nfs/dbraw/zinc/43/99/62/951439962.db2.gz ONIKEVHDSLMOHV-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC(=O)C(C)(C)C[N@@H+]1C[C@@H]2OCCN(CCN(C)C)[C@H]2C1 ZINC001274913702 951887653 /nfs/dbraw/zinc/88/76/53/951887653.db2.gz GENUGZKQBQEINC-GJZGRUSLSA-N 1 3 311.470 0.938 20 0 DCADHO CCC(=O)C(C)(C)C[N@H+]1C[C@@H]2OCCN(CCN(C)C)[C@H]2C1 ZINC001274913702 951887659 /nfs/dbraw/zinc/88/76/59/951887659.db2.gz GENUGZKQBQEINC-GJZGRUSLSA-N 1 3 311.470 0.938 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCn2cncn2)C1 ZINC001275310139 952055738 /nfs/dbraw/zinc/05/57/38/952055738.db2.gz BLTUUQALKYUQPN-UHFFFAOYSA-N 1 3 317.397 0.037 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCC[C@@H](C)O)C1 ZINC001275310403 952055821 /nfs/dbraw/zinc/05/58/21/952055821.db2.gz JEJXONXULNOCQX-LMWSTFAQSA-N 1 3 308.426 0.906 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@@H](O)CCC2(O)CCC2)CC1 ZINC001335354349 952525080 /nfs/dbraw/zinc/52/50/80/952525080.db2.gz ZSHQAGBBRKFSLG-INIZCTEOSA-N 1 3 313.486 0.660 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001495743924 953063305 /nfs/dbraw/zinc/06/33/05/953063305.db2.gz TYQOHPMPOLLMKM-QWHCGFSZSA-N 1 3 314.474 0.441 20 0 DCADHO [NH3+]CCNCC(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001341259116 953219224 /nfs/dbraw/zinc/21/92/24/953219224.db2.gz NGSXNCISFMDJIE-ZIAGYGMSSA-N 1 3 318.421 0.044 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001365918897 953407821 /nfs/dbraw/zinc/40/78/21/953407821.db2.gz HVHLXCRYUXFAJY-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCO)CC2)N(C)C ZINC001366021675 953588037 /nfs/dbraw/zinc/58/80/37/953588037.db2.gz UTUDFDXVISQSHD-CABCVRRESA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366105628 953690949 /nfs/dbraw/zinc/69/09/49/953690949.db2.gz XEYVBWRORVVWRL-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366105628 953690954 /nfs/dbraw/zinc/69/09/54/953690954.db2.gz XEYVBWRORVVWRL-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCC2)C1)N(C)C ZINC001366119987 953710243 /nfs/dbraw/zinc/71/02/43/953710243.db2.gz SYFSSBRPIDVLQO-RBSFLKMASA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001366133184 953723796 /nfs/dbraw/zinc/72/37/96/953723796.db2.gz XERFSYQXQVKAHG-NGFQHRJXSA-N 1 3 324.469 0.477 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001366154530 953749423 /nfs/dbraw/zinc/74/94/23/953749423.db2.gz JAPGJNHQXOAHTM-IJEWVQPXSA-N 1 3 321.469 0.786 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001366209678 953827619 /nfs/dbraw/zinc/82/76/19/953827619.db2.gz XARAWJHXSVNVEA-CQSZACIVSA-N 1 3 310.442 0.032 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NC1CC1 ZINC001366217195 953844539 /nfs/dbraw/zinc/84/45/39/953844539.db2.gz LFGXZPQNTUJAMS-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H]([NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001366242290 953883999 /nfs/dbraw/zinc/88/39/99/953883999.db2.gz IRGWTGSSHRIFKF-JXQTWKCFSA-N 1 3 324.469 0.752 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001366281303 953949445 /nfs/dbraw/zinc/94/94/45/953949445.db2.gz CZYCDKCTJPHZFO-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001366281303 953949451 /nfs/dbraw/zinc/94/94/51/953949451.db2.gz CZYCDKCTJPHZFO-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001366322424 954020101 /nfs/dbraw/zinc/02/01/01/954020101.db2.gz KMJUPXKXFMMPOA-LBPRGKRZSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001366349429 954072976 /nfs/dbraw/zinc/07/29/76/954072976.db2.gz BXZYVCLSJMKAMZ-NWDGAFQWSA-N 1 3 300.447 0.336 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366376612 954119248 /nfs/dbraw/zinc/11/92/48/954119248.db2.gz GBMMMLWLTZGLSU-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366386380 954136056 /nfs/dbraw/zinc/13/60/56/954136056.db2.gz SZXMSLWVRKAJDL-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1)C(N)=O ZINC001366395390 954149092 /nfs/dbraw/zinc/14/90/92/954149092.db2.gz SCSAOWKQEDPTAS-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001366412457 954168760 /nfs/dbraw/zinc/16/87/60/954168760.db2.gz SYPYKXSJTAUZKZ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366417016 954173289 /nfs/dbraw/zinc/17/32/89/954173289.db2.gz WBSGAFIOVVKIFC-UKRRQHHQSA-N 1 3 312.458 0.147 20 0 DCADHO Cc1nnsc1C[NH2+][C@H](C)CCNC(=O)CN1CCCC1 ZINC001366503356 954288076 /nfs/dbraw/zinc/28/80/76/954288076.db2.gz AGJLWBYRNAGBOF-LLVKDONJSA-N 1 3 311.455 0.927 20 0 DCADHO CN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C ZINC001283581077 954464272 /nfs/dbraw/zinc/46/42/72/954464272.db2.gz ICKWXGXJUGFIOP-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001349173703 954631194 /nfs/dbraw/zinc/63/11/94/954631194.db2.gz JZEWUYWIOOKXDN-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001349173703 954631204 /nfs/dbraw/zinc/63/12/04/954631204.db2.gz JZEWUYWIOOKXDN-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2cnn(C)c2)C1)N(C)C ZINC001366702239 954679029 /nfs/dbraw/zinc/67/90/29/954679029.db2.gz CCJGTWLRWGJRGN-ZBFHGGJFSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1)N(C)C ZINC001366702239 954679035 /nfs/dbraw/zinc/67/90/35/954679035.db2.gz CCJGTWLRWGJRGN-ZBFHGGJFSA-N 1 3 321.469 0.741 20 0 DCADHO Cc1nnc(CN[C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001446946657 1013128383 /nfs/dbraw/zinc/12/83/83/1013128383.db2.gz VYBJYUKRSVMHOW-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001366772948 954820843 /nfs/dbraw/zinc/82/08/43/954820843.db2.gz AEYNBXSAXWWSCI-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001366836238 954910617 /nfs/dbraw/zinc/91/06/17/954910617.db2.gz QDVZIJLLOMMIOZ-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001366849382 954932839 /nfs/dbraw/zinc/93/28/39/954932839.db2.gz GPFZCBOVRWAMHH-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001366849382 954932846 /nfs/dbraw/zinc/93/28/46/954932846.db2.gz GPFZCBOVRWAMHH-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)CCCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001284561827 955177087 /nfs/dbraw/zinc/17/70/87/955177087.db2.gz ZAIYTQWNTNYDHR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001367150057 955404793 /nfs/dbraw/zinc/40/47/93/955404793.db2.gz OURFUMKBGNBLDU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001367175665 955431280 /nfs/dbraw/zinc/43/12/80/955431280.db2.gz ASUYZYOBGVJLQL-LRDDRELGSA-N 1 3 312.458 0.336 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001367222325 955479070 /nfs/dbraw/zinc/47/90/70/955479070.db2.gz OFNJEHKAUAZGJK-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367272033 955564401 /nfs/dbraw/zinc/56/44/01/955564401.db2.gz MPBIGUBXXJRBCW-ZDUSSCGKSA-N 1 3 307.442 0.604 20 0 DCADHO Cc1ncoc1CNC[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367298984 955608836 /nfs/dbraw/zinc/60/88/36/955608836.db2.gz ZQMABGKBBPCROS-GFCCVEGCSA-N 1 3 306.410 0.921 20 0 DCADHO Cn1cc(CCN2CCCC[C@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001480323341 955683216 /nfs/dbraw/zinc/68/32/16/955683216.db2.gz JLUYSSCGRAGVEG-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001285601725 955830113 /nfs/dbraw/zinc/83/01/13/955830113.db2.gz CVWWENQAXYYYMW-PLNGDYQASA-N 1 3 307.398 0.001 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001353415772 956054299 /nfs/dbraw/zinc/05/42/99/956054299.db2.gz KABXQWLRRVEBTG-LSDHHAIUSA-N 1 3 312.458 0.615 20 0 DCADHO Cc1nc([C@H](C)N[C@H](C)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001480530713 956129068 /nfs/dbraw/zinc/12/90/68/956129068.db2.gz MXMVCMVLPSCMJS-MNOVXSKESA-N 1 3 308.430 0.610 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001100404791 956196791 /nfs/dbraw/zinc/19/67/91/956196791.db2.gz UXXWMVUDFBZDRF-RUXDESIVSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)NCCNC(=O)C12CCC[NH+]1CCC2)C1CCC1 ZINC001292885258 957187525 /nfs/dbraw/zinc/18/75/25/957187525.db2.gz BTYCFYLTNZJVOS-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001293358749 957353682 /nfs/dbraw/zinc/35/36/82/957353682.db2.gz XXYQJCGBVQREJY-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001293358749 957353693 /nfs/dbraw/zinc/35/36/93/957353693.db2.gz XXYQJCGBVQREJY-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001367358156 957714536 /nfs/dbraw/zinc/71/45/36/957714536.db2.gz OVJYMJZCYWTZNN-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001367358156 957714541 /nfs/dbraw/zinc/71/45/41/957714541.db2.gz OVJYMJZCYWTZNN-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001367368591 957726407 /nfs/dbraw/zinc/72/64/07/957726407.db2.gz IUYYKDLPZXUMEM-LBPRGKRZSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001367368591 957726416 /nfs/dbraw/zinc/72/64/16/957726416.db2.gz IUYYKDLPZXUMEM-LBPRGKRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)N1CC[C@H](NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001367374495 957737496 /nfs/dbraw/zinc/73/74/96/957737496.db2.gz GVIQKLDCOQBHCN-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367422588 957798123 /nfs/dbraw/zinc/79/81/23/957798123.db2.gz GYVAQYFUJNJXJT-TZMCWYRMSA-N 1 3 312.458 0.323 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001367438608 957810361 /nfs/dbraw/zinc/81/03/61/957810361.db2.gz LWLZBTCLTDXWCP-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001367470004 957855933 /nfs/dbraw/zinc/85/59/33/957855933.db2.gz CDLOFGRAKNPIKW-CHWSQXEVSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001367476876 957867892 /nfs/dbraw/zinc/86/78/92/957867892.db2.gz ATQPBMPQYJWVBM-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001297108058 958141193 /nfs/dbraw/zinc/14/11/93/958141193.db2.gz ZCTYGHPFCZSVKI-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1scnc1C)N(C)C ZINC001367619881 958193667 /nfs/dbraw/zinc/19/36/67/958193667.db2.gz HKSQELDRSDLVJB-NWDGAFQWSA-N 1 3 314.455 0.358 20 0 DCADHO COc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)c1 ZINC001367673722 958331508 /nfs/dbraw/zinc/33/15/08/958331508.db2.gz DFQKJPMEPNMHMN-NEPJUHHUSA-N 1 3 318.381 0.537 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001367697722 958395215 /nfs/dbraw/zinc/39/52/15/958395215.db2.gz FUKPPJFYXBNRPL-YUELXQCFSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](NC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001367708064 958415476 /nfs/dbraw/zinc/41/54/76/958415476.db2.gz OWPONNIYBHDHQD-TZMCWYRMSA-N 1 3 312.458 0.465 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001367709592 958418160 /nfs/dbraw/zinc/41/81/60/958418160.db2.gz ZYVQZKAKCQKXED-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001367765774 958530434 /nfs/dbraw/zinc/53/04/34/958530434.db2.gz GRTLDPGLEINESS-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(=O)NC(C)(C)C ZINC001367769924 958537081 /nfs/dbraw/zinc/53/70/81/958537081.db2.gz CCIICNUSGNTSJM-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C ZINC001298312816 958540444 /nfs/dbraw/zinc/54/04/44/958540444.db2.gz RVODFAFUHPWALW-GEXIGZQTSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C ZINC001298312816 958540453 /nfs/dbraw/zinc/54/04/53/958540453.db2.gz RVODFAFUHPWALW-GEXIGZQTSA-N 1 3 310.442 0.211 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001367916400 958859426 /nfs/dbraw/zinc/85/94/26/958859426.db2.gz AEAVSOVQTBUASI-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001491650951 959012741 /nfs/dbraw/zinc/01/27/41/959012741.db2.gz OEWXGIBHIZOQTL-AAEUAGOBSA-N 1 3 321.425 0.271 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001376882105 959051734 /nfs/dbraw/zinc/05/17/34/959051734.db2.gz PSJYDTWKGOLSOC-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC001491654577 959085207 /nfs/dbraw/zinc/08/52/07/959085207.db2.gz MKSYYNOKHCIMGE-GFCCVEGCSA-N 1 3 321.425 0.367 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cccc(C(N)=O)c1 ZINC001491674758 959117869 /nfs/dbraw/zinc/11/78/69/959117869.db2.gz VUMGMSZWQAKCJT-DOMZBBRYSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cccc(C(N)=O)c1 ZINC001491674758 959117879 /nfs/dbraw/zinc/11/78/79/959117879.db2.gz VUMGMSZWQAKCJT-DOMZBBRYSA-N 1 3 318.421 0.332 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001376917639 959131032 /nfs/dbraw/zinc/13/10/32/959131032.db2.gz GUICXFKPYSEVDN-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491752115 959184008 /nfs/dbraw/zinc/18/40/08/959184008.db2.gz LZHIZBNLHHOLTE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001491752115 959184018 /nfs/dbraw/zinc/18/40/18/959184018.db2.gz LZHIZBNLHHOLTE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001376948804 959188633 /nfs/dbraw/zinc/18/86/33/959188633.db2.gz GGSQXINBXRXAPO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001368114515 959271735 /nfs/dbraw/zinc/27/17/35/959271735.db2.gz HFXFMUVEQPZPLK-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001368118251 959277611 /nfs/dbraw/zinc/27/76/11/959277611.db2.gz BTNHZLMBPVNMSK-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001491859184 959317247 /nfs/dbraw/zinc/31/72/47/959317247.db2.gz QVIZCHADCLYCNZ-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccnn1C ZINC001377067643 959421342 /nfs/dbraw/zinc/42/13/42/959421342.db2.gz OSSFMCMTVWWXBK-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO COC[C@H](O)CN(C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001377156384 959588849 /nfs/dbraw/zinc/58/88/49/959588849.db2.gz ZXDOVKHUKOVXNM-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@H](NCc1nncn1C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368332706 959690187 /nfs/dbraw/zinc/69/01/87/959690187.db2.gz JDMMYBSOTAARAN-STQMWFEESA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H](NCc1nccn1C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368336623 959696126 /nfs/dbraw/zinc/69/61/26/959696126.db2.gz PWABMCFOZBHVLB-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC)N(C)C ZINC001368353335 959718840 /nfs/dbraw/zinc/71/88/40/959718840.db2.gz XFPZVXSQZGMPME-LXTVHRRPSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC)N(C)C ZINC001368353335 959718855 /nfs/dbraw/zinc/71/88/55/959718855.db2.gz XFPZVXSQZGMPME-LXTVHRRPSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001492279353 959795517 /nfs/dbraw/zinc/79/55/17/959795517.db2.gz DGSFDIIGRJOSKG-AWEZNQCLSA-N 1 3 320.441 0.298 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001492279353 959795527 /nfs/dbraw/zinc/79/55/27/959795527.db2.gz DGSFDIIGRJOSKG-AWEZNQCLSA-N 1 3 320.441 0.298 20 0 DCADHO COC[C@H](O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001377276141 959841490 /nfs/dbraw/zinc/84/14/90/959841490.db2.gz SWIKYIGDBLQBJM-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC001377280657 959850240 /nfs/dbraw/zinc/85/02/40/959850240.db2.gz IIELTSRJBOMDMI-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC001377280657 959850252 /nfs/dbraw/zinc/85/02/52/959850252.db2.gz IIELTSRJBOMDMI-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368450953 959881518 /nfs/dbraw/zinc/88/15/18/959881518.db2.gz NCMCDSSWXQDMGI-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001368450953 959881528 /nfs/dbraw/zinc/88/15/28/959881528.db2.gz NCMCDSSWXQDMGI-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N1CCC1 ZINC001368452547 959886500 /nfs/dbraw/zinc/88/65/00/959886500.db2.gz BRYSOPWZAZTAGU-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N1CCC1 ZINC001368452547 959886509 /nfs/dbraw/zinc/88/65/09/959886509.db2.gz BRYSOPWZAZTAGU-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[N@@H+]1CCN(CCNC(=O)CCN2CC[C@H](F)C2)CC1(C)C ZINC001362724304 959894503 /nfs/dbraw/zinc/89/45/03/959894503.db2.gz QTYHVTDSKNOALS-AWEZNQCLSA-N 1 3 314.449 0.563 20 0 DCADHO C[N@H+]1CCN(CCNC(=O)CCN2CC[C@H](F)C2)CC1(C)C ZINC001362724304 959894511 /nfs/dbraw/zinc/89/45/11/959894511.db2.gz QTYHVTDSKNOALS-AWEZNQCLSA-N 1 3 314.449 0.563 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001368499491 959945658 /nfs/dbraw/zinc/94/56/58/959945658.db2.gz TULKQWOFYPZZHF-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001368642148 960113122 /nfs/dbraw/zinc/11/31/22/960113122.db2.gz VJIUHXWBXWVPKS-RRFJBIMHSA-N 1 3 324.469 0.480 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001368641979 960113693 /nfs/dbraw/zinc/11/36/93/960113693.db2.gz VYPRRSJEHGZVND-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H](C)COC ZINC001368655046 960127630 /nfs/dbraw/zinc/12/76/30/960127630.db2.gz CKWHZFICQPKPPH-UMVBOHGHSA-N 1 3 324.425 0.440 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001368725085 960197761 /nfs/dbraw/zinc/19/77/61/960197761.db2.gz DBNNLOLYMUKVLE-AVGNSLFASA-N 1 3 300.447 0.192 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCCC[C@H](NCC(=O)NC2CC2)C1 ZINC001368754504 960228132 /nfs/dbraw/zinc/22/81/32/960228132.db2.gz HWBCFPRVBROHNT-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCO)[NH+](C)C ZINC001368781953 960260796 /nfs/dbraw/zinc/26/07/96/960260796.db2.gz XWSVOWREJPYOIY-BRWVUGGUSA-N 1 3 319.449 0.937 20 0 DCADHO C[N@H+](CCn1cccn1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001377664651 960406170 /nfs/dbraw/zinc/40/61/70/960406170.db2.gz CWPVOSJPUJNLNO-INIZCTEOSA-N 1 3 319.453 0.902 20 0 DCADHO C[N@@H+](CCn1cccn1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001377664651 960406178 /nfs/dbraw/zinc/40/61/78/960406178.db2.gz CWPVOSJPUJNLNO-INIZCTEOSA-N 1 3 319.453 0.902 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001377722020 960500441 /nfs/dbraw/zinc/50/04/41/960500441.db2.gz FRBPSYRLCVNTAN-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001377722020 960500456 /nfs/dbraw/zinc/50/04/56/960500456.db2.gz FRBPSYRLCVNTAN-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001377737179 960531888 /nfs/dbraw/zinc/53/18/88/960531888.db2.gz UJTSYRWQMWTEKD-AVVWSFFYSA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccnn1C ZINC001378306791 960541843 /nfs/dbraw/zinc/54/18/43/960541843.db2.gz XHZFANBZCFFOLX-CQSZACIVSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H]([NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1)C(N)=O ZINC001378361209 960650465 /nfs/dbraw/zinc/65/04/65/960650465.db2.gz CWNWQAPRZJBTHW-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001378386316 960681310 /nfs/dbraw/zinc/68/13/10/960681310.db2.gz CCLYKWOPSOGFPG-AWEZNQCLSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001377806163 960699164 /nfs/dbraw/zinc/69/91/64/960699164.db2.gz LEDVBPOHCRCNIQ-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001378445268 960769982 /nfs/dbraw/zinc/76/99/82/960769982.db2.gz WJZNKPDQKUJYAD-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001378450882 960782011 /nfs/dbraw/zinc/78/20/11/960782011.db2.gz FAGRJAFLAZXLSK-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](NCc1ccnn1C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001377882974 960902409 /nfs/dbraw/zinc/90/24/09/960902409.db2.gz MNJDTMUHQRPPFO-OLZOCXBDSA-N 1 3 305.426 0.499 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001378511747 960903380 /nfs/dbraw/zinc/90/33/80/960903380.db2.gz JXPCXVXRDUQBLX-XDQVBPFNSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001378511747 960903393 /nfs/dbraw/zinc/90/33/93/960903393.db2.gz JXPCXVXRDUQBLX-XDQVBPFNSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001377985424 961121608 /nfs/dbraw/zinc/12/16/08/961121608.db2.gz OVEUEDDQECJYIV-MELADBBJSA-N 1 3 314.474 0.534 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nccnc1C)N(C)C ZINC001378619271 961139850 /nfs/dbraw/zinc/13/98/50/961139850.db2.gz ZKXGAHOAVYXGAV-SWLSCSKDSA-N 1 3 307.442 0.967 20 0 DCADHO NC(C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1)C(F)(F)F ZINC001549028767 1013234270 /nfs/dbraw/zinc/23/42/70/1013234270.db2.gz KHXVZHVXQQZMTC-GMTAPVOTSA-N 1 3 305.275 0.968 20 0 DCADHO CCn1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001378655099 961202558 /nfs/dbraw/zinc/20/25/58/961202558.db2.gz YEVNAGOAJNSQRT-ZIAGYGMSSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001378655099 961202577 /nfs/dbraw/zinc/20/25/77/961202577.db2.gz YEVNAGOAJNSQRT-ZIAGYGMSSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)[C@H]1CCCCN1C ZINC001378793662 961486719 /nfs/dbraw/zinc/48/67/19/961486719.db2.gz TZSZUIPKXPAJBE-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001378846688 961594973 /nfs/dbraw/zinc/59/49/73/961594973.db2.gz UQNHOKQRINPFGX-HIFRSBDPSA-N 1 3 314.474 0.487 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001378853202 961606223 /nfs/dbraw/zinc/60/62/23/961606223.db2.gz OLUQFFLIRLUDQN-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001378877954 961646554 /nfs/dbraw/zinc/64/65/54/961646554.db2.gz DLILFQHGIYDVDI-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001363758260 961817371 /nfs/dbraw/zinc/81/73/71/961817371.db2.gz WZOXYBUCTUJOOK-KBPBESRZSA-N 1 3 316.405 0.497 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO)[NH+]1[C@H](C)CC[C@H]1C ZINC001363792890 961898216 /nfs/dbraw/zinc/89/82/16/961898216.db2.gz KPYQUZVVUXJWCJ-DGXTUMSLSA-N 1 3 309.454 0.915 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)N1[C@H](C)CC[C@H]1C ZINC001363792890 961898238 /nfs/dbraw/zinc/89/82/38/961898238.db2.gz KPYQUZVVUXJWCJ-DGXTUMSLSA-N 1 3 309.454 0.915 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)N1[C@H](C)CC[C@H]1C ZINC001363792890 961898256 /nfs/dbraw/zinc/89/82/56/961898256.db2.gz KPYQUZVVUXJWCJ-DGXTUMSLSA-N 1 3 309.454 0.915 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001379050402 961973023 /nfs/dbraw/zinc/97/30/23/961973023.db2.gz AHSPKXKIYQHYPT-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001379862330 962169825 /nfs/dbraw/zinc/16/98/25/962169825.db2.gz UUBZRDWDTDWLLS-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001379862330 962169837 /nfs/dbraw/zinc/16/98/37/962169837.db2.gz UUBZRDWDTDWLLS-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001379238817 962437275 /nfs/dbraw/zinc/43/72/75/962437275.db2.gz FWPGKLBKVLQHKH-ONGXEEELSA-N 1 3 322.331 0.702 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@@H]1CCCNC1=O ZINC001379317448 962611012 /nfs/dbraw/zinc/61/10/12/962611012.db2.gz DQQQGLZMVCPXJM-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001379325755 962630778 /nfs/dbraw/zinc/63/07/78/962630778.db2.gz OUYUVRDFHMWUQG-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001380171682 962822314 /nfs/dbraw/zinc/82/23/14/962822314.db2.gz MLWGQAYFTLQINJ-WLYUNCDWSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001379448792 962947980 /nfs/dbraw/zinc/94/79/80/962947980.db2.gz LCIQCSGIQQTHJQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001380272926 962969216 /nfs/dbraw/zinc/96/92/16/962969216.db2.gz RJAZWVZVRSKNSK-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)CN2CCOCC2)o1 ZINC001379464656 962984162 /nfs/dbraw/zinc/98/41/62/962984162.db2.gz BXMQZQDVKSLPGO-QWHCGFSZSA-N 1 3 324.425 0.546 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2CNCC(N)=O)cc1 ZINC001380282110 962985486 /nfs/dbraw/zinc/98/54/86/962985486.db2.gz IMFGXYOHRWQUGQ-OAHLLOKOSA-N 1 3 318.421 0.428 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001380312696 963028722 /nfs/dbraw/zinc/02/87/22/963028722.db2.gz FKOOHFRVUKZJGT-MRVWCRGKSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001380312696 963028734 /nfs/dbraw/zinc/02/87/34/963028734.db2.gz FKOOHFRVUKZJGT-MRVWCRGKSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001379517986 963115107 /nfs/dbraw/zinc/11/51/07/963115107.db2.gz XTKYYJFUSOSDDF-KBPBESRZSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1cccc(C)c1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379529642 963136571 /nfs/dbraw/zinc/13/65/71/963136571.db2.gz QPSOGEUFOVXMRU-JKSUJKDBSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cccc(C)c1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379529642 963136579 /nfs/dbraw/zinc/13/65/79/963136579.db2.gz QPSOGEUFOVXMRU-JKSUJKDBSA-N 1 3 319.449 0.822 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001380427902 963190562 /nfs/dbraw/zinc/19/05/62/963190562.db2.gz ZAOHVHOCIPSNGJ-PBHICJAKSA-N 1 3 324.469 0.245 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001379609006 963261304 /nfs/dbraw/zinc/26/13/04/963261304.db2.gz XBYKVVCYYOIJLA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001380677162 963480914 /nfs/dbraw/zinc/48/09/14/963480914.db2.gz VZHMKFFRGGXZLK-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CCO)CCC2)c1 ZINC001380899360 963664794 /nfs/dbraw/zinc/66/47/94/963664794.db2.gz QNHLQVWOEZSWKZ-UHFFFAOYSA-N 1 3 305.422 0.983 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001380913974 963679252 /nfs/dbraw/zinc/67/92/52/963679252.db2.gz JIBORMNYFPEUQX-GJZGRUSLSA-N 1 3 313.442 0.180 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(C)C)C1 ZINC001381108660 963820317 /nfs/dbraw/zinc/82/03/17/963820317.db2.gz COEFXDPPTJAUCD-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(C)C)C1 ZINC001381108660 963820322 /nfs/dbraw/zinc/82/03/22/963820322.db2.gz COEFXDPPTJAUCD-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001381277456 963936399 /nfs/dbraw/zinc/93/63/99/963936399.db2.gz BZRNIGNDUMBBRA-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381277456 963936405 /nfs/dbraw/zinc/93/64/05/963936405.db2.gz BZRNIGNDUMBBRA-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001447538250 1013462931 /nfs/dbraw/zinc/46/29/31/1013462931.db2.gz XJZJKPMXOJUUIU-OKILXGFUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001368902781 964114282 /nfs/dbraw/zinc/11/42/82/964114282.db2.gz FHUNPJAQWBOMGW-LBPRGKRZSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)C1=O ZINC001375277965 964199929 /nfs/dbraw/zinc/19/99/29/964199929.db2.gz RQCJWIZNPCALND-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001369154546 964464723 /nfs/dbraw/zinc/46/47/23/964464723.db2.gz FDIMHRVNMJJHFJ-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001369154546 964464736 /nfs/dbraw/zinc/46/47/36/964464736.db2.gz FDIMHRVNMJJHFJ-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001369185316 964500767 /nfs/dbraw/zinc/50/07/67/964500767.db2.gz MQDMOZUDTDWWFQ-HNNXBMFYSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001369185316 964500772 /nfs/dbraw/zinc/50/07/72/964500772.db2.gz MQDMOZUDTDWWFQ-HNNXBMFYSA-N 1 3 315.458 0.257 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001369186500 964502918 /nfs/dbraw/zinc/50/29/18/964502918.db2.gz MRFNPTLEOVGRSJ-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCc2cnn(C)c2)CC1)N(C)C ZINC001375531095 964521024 /nfs/dbraw/zinc/52/10/24/964521024.db2.gz OZCWRZKTAIFZCX-HNNXBMFYSA-N 1 3 321.469 0.787 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001369230760 964557655 /nfs/dbraw/zinc/55/76/55/964557655.db2.gz CIRVEHOMUAPVST-DOMZBBRYSA-N 1 3 307.442 0.759 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001369250525 964598449 /nfs/dbraw/zinc/59/84/49/964598449.db2.gz MWRGCXZOHZTZTE-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001373922534 964785555 /nfs/dbraw/zinc/78/55/55/964785555.db2.gz AWGXDCUYKUWAAI-XUXIUFHCSA-N 1 3 310.442 0.232 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001373923483 964787268 /nfs/dbraw/zinc/78/72/68/964787268.db2.gz OQMIOMXSLITAJJ-IHRRRGAJSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001375763749 964810577 /nfs/dbraw/zinc/81/05/77/964810577.db2.gz ADLJSSWGHNYMBA-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375763749 964810590 /nfs/dbraw/zinc/81/05/90/964810590.db2.gz ADLJSSWGHNYMBA-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001375767649 964814366 /nfs/dbraw/zinc/81/43/66/964814366.db2.gz QJKXQEPKFSXRMU-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001375767649 964814373 /nfs/dbraw/zinc/81/43/73/964814373.db2.gz QJKXQEPKFSXRMU-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)C[C@@H]1C ZINC001369402964 964907302 /nfs/dbraw/zinc/90/73/02/964907302.db2.gz STOJMDCMZKDPCS-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001369434681 964971454 /nfs/dbraw/zinc/97/14/54/964971454.db2.gz GAGCAYGLMOWARE-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCCN1CCO ZINC001369439701 964976965 /nfs/dbraw/zinc/97/69/65/964976965.db2.gz YFIXXSQCSCMTRQ-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001369457757 965012497 /nfs/dbraw/zinc/01/24/97/965012497.db2.gz NOUMYCUXGSTJJH-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001369457757 965012503 /nfs/dbraw/zinc/01/25/03/965012503.db2.gz NOUMYCUXGSTJJH-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cncn1 ZINC001447786348 1013544656 /nfs/dbraw/zinc/54/46/56/1013544656.db2.gz UEWLIWMUWHOIQO-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cncn1 ZINC001447786348 1013544659 /nfs/dbraw/zinc/54/46/59/1013544659.db2.gz UEWLIWMUWHOIQO-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001376008277 965079883 /nfs/dbraw/zinc/07/98/83/965079883.db2.gz GQCDEDVYZNOSQM-LSDHHAIUSA-N 1 3 313.442 0.011 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001374178812 965096425 /nfs/dbraw/zinc/09/64/25/965096425.db2.gz CUOKBANPXMJXJS-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374221482 965150532 /nfs/dbraw/zinc/15/05/32/965150532.db2.gz FLNBLOBQSWTUFY-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374221482 965150539 /nfs/dbraw/zinc/15/05/39/965150539.db2.gz FLNBLOBQSWTUFY-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374287570 965230095 /nfs/dbraw/zinc/23/00/95/965230095.db2.gz NOIFJFOVVPOCKE-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001374324974 965283072 /nfs/dbraw/zinc/28/30/72/965283072.db2.gz HACTYVVSOXXAPH-ZDUSSCGKSA-N 1 3 307.442 0.761 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001376153346 965296907 /nfs/dbraw/zinc/29/69/07/965296907.db2.gz MHFTZRRMCOMWDN-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001376153346 965296919 /nfs/dbraw/zinc/29/69/19/965296919.db2.gz MHFTZRRMCOMWDN-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(=O)NC1CC1 ZINC001374395114 965338838 /nfs/dbraw/zinc/33/88/38/965338838.db2.gz JHFLCWQNBZDTDU-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(N)=O ZINC001369746940 965349720 /nfs/dbraw/zinc/34/97/20/965349720.db2.gz LOALGYKOQNQUOC-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(N)=O ZINC001369746940 965349726 /nfs/dbraw/zinc/34/97/26/965349726.db2.gz LOALGYKOQNQUOC-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@@H](O)COC)CC1)N(C)C ZINC001369775811 965381459 /nfs/dbraw/zinc/38/14/59/965381459.db2.gz HVHLXCRYUXFAJY-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccnn1C ZINC001374432300 965382699 /nfs/dbraw/zinc/38/26/99/965382699.db2.gz UDZSBKZFDUHIQA-HNNXBMFYSA-N 1 3 321.469 0.992 20 0 DCADHO CN(CCN(C)C(=O)CN1CCCC1)C(=O)CCC[NH+](C)C ZINC001376293783 965490530 /nfs/dbraw/zinc/49/05/30/965490530.db2.gz BROYTYKVPWHWTH-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)CCC1 ZINC001376369097 965579189 /nfs/dbraw/zinc/57/91/89/965579189.db2.gz VTTOSHBZOSBDQM-HDJSIYSDSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001376473310 965706398 /nfs/dbraw/zinc/70/63/98/965706398.db2.gz BLUBSQBCSYOBLQ-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001374669775 965711751 /nfs/dbraw/zinc/71/17/51/965711751.db2.gz KGJBVAKVBVEXJY-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001374669775 965711758 /nfs/dbraw/zinc/71/17/58/965711758.db2.gz KGJBVAKVBVEXJY-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1)N(C)C ZINC001374691918 965765706 /nfs/dbraw/zinc/76/57/06/965765706.db2.gz GFAOTIKIDPQEAK-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1)N(C)C ZINC001374691918 965765718 /nfs/dbraw/zinc/76/57/18/965765718.db2.gz GFAOTIKIDPQEAK-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860628 1013605373 /nfs/dbraw/zinc/60/53/73/1013605373.db2.gz BQHHQZJGWOHURM-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001376608527 965885083 /nfs/dbraw/zinc/88/50/83/965885083.db2.gz IIVHPVYCVNVSPO-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21)N(C)C ZINC001376652748 965940267 /nfs/dbraw/zinc/94/02/67/965940267.db2.gz WRHMPVLCXACEDN-LJIZCISZSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21)N(C)C ZINC001376652748 965940276 /nfs/dbraw/zinc/94/02/76/965940276.db2.gz WRHMPVLCXACEDN-LJIZCISZSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H]([NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001376669244 965959967 /nfs/dbraw/zinc/95/99/67/965959967.db2.gz IELOPMLTRRTYAQ-JXQTWKCFSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@H](CNCc1cccc(C(N)=O)c1)NC(=O)CC[NH+](C)C ZINC001374810632 965962398 /nfs/dbraw/zinc/96/23/98/965962398.db2.gz FFMXTYJFTYGAQX-GFCCVEGCSA-N 1 3 306.410 0.332 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001370325459 966013555 /nfs/dbraw/zinc/01/35/55/966013555.db2.gz YXKJAKANVQHNAL-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO COc1cc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001374843147 966018849 /nfs/dbraw/zinc/01/88/49/966018849.db2.gz SHZNDPHTWUZJJX-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001374843147 966018865 /nfs/dbraw/zinc/01/88/65/966018865.db2.gz SHZNDPHTWUZJJX-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO C[C@@H](NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001370387659 966069956 /nfs/dbraw/zinc/06/99/56/966069956.db2.gz AOBDEURKPIUHGW-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001370519457 966206490 /nfs/dbraw/zinc/20/64/90/966206490.db2.gz PPHINJKSZKVBRP-MGPQQGTHSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001370519604 966207358 /nfs/dbraw/zinc/20/73/58/966207358.db2.gz NGBCKGVVOPHHTJ-SHTZXODSSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001381470058 966443026 /nfs/dbraw/zinc/44/30/26/966443026.db2.gz RGYZLJHEHCGWGE-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCN1CCCC1=O ZINC001447936426 1013660153 /nfs/dbraw/zinc/66/01/53/1013660153.db2.gz SRDCPOVKVOADJD-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001381919496 966779335 /nfs/dbraw/zinc/77/93/35/966779335.db2.gz PGDUEKHNDNUYLN-PHZGNYQRSA-N 1 3 302.422 0.827 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001371180185 966786297 /nfs/dbraw/zinc/78/62/97/966786297.db2.gz RJGZRWLUBFVYPX-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](CNCc1ccnn1C)C1CC1 ZINC001382029467 966877071 /nfs/dbraw/zinc/87/70/71/966877071.db2.gz MQHGJMFUBXWUGD-GDBMZVCRSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](CNCc1ccnn1C)C1CC1 ZINC001382029467 966877079 /nfs/dbraw/zinc/87/70/79/966877079.db2.gz MQHGJMFUBXWUGD-GDBMZVCRSA-N 1 3 319.453 0.698 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382159733 966992412 /nfs/dbraw/zinc/99/24/12/966992412.db2.gz XDTKTDNEANMLGR-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382159733 966992416 /nfs/dbraw/zinc/99/24/16/966992416.db2.gz XDTKTDNEANMLGR-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](CO)NCc1ccccc1)[NH+](C)C ZINC001382209890 967070621 /nfs/dbraw/zinc/07/06/21/967070621.db2.gz KJOLFKWMSRKXCL-CVEARBPZSA-N 1 3 307.438 0.840 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001371545030 967106439 /nfs/dbraw/zinc/10/64/39/967106439.db2.gz UWIMUUBDLYQMQJ-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)[C@H]1C ZINC001382300691 967184525 /nfs/dbraw/zinc/18/45/25/967184525.db2.gz CWTCRMHHVDFSOH-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCn1cccn1 ZINC001382359667 967262132 /nfs/dbraw/zinc/26/21/32/967262132.db2.gz OUVJLOKPJQFTIU-GJZGRUSLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC1CC1 ZINC001382370036 967282145 /nfs/dbraw/zinc/28/21/45/967282145.db2.gz QWWKHHRJONCJFD-GXTWGEPZSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001382580580 967517409 /nfs/dbraw/zinc/51/74/09/967517409.db2.gz WWZVZKNVSGKBCN-JXQTWKCFSA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001382590639 967525390 /nfs/dbraw/zinc/52/53/90/967525390.db2.gz RFFMYKMLFXBPPF-NFOMZHRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001383008757 967852144 /nfs/dbraw/zinc/85/21/44/967852144.db2.gz JKCGEHXEOHDMAH-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383008757 967852153 /nfs/dbraw/zinc/85/21/53/967852153.db2.gz JKCGEHXEOHDMAH-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)CCC1 ZINC001372399219 967959980 /nfs/dbraw/zinc/95/99/80/967959980.db2.gz QQECNCYXUCYHOQ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001372646558 968212020 /nfs/dbraw/zinc/21/20/20/968212020.db2.gz GYKKOTYCKDLOEI-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001448432246 1013910928 /nfs/dbraw/zinc/91/09/28/1013910928.db2.gz UEBRLUJANPSEFQ-ZQDZILKHSA-N 1 3 324.469 0.099 20 0 DCADHO CN(C(=O)CC1CC[NH+](C)CC1)[C@H](CNCC(N)=O)C1CC1 ZINC001448605601 1013965801 /nfs/dbraw/zinc/96/58/01/1013965801.db2.gz OPLVDGYITFJTNJ-CQSZACIVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001448724023 1014012972 /nfs/dbraw/zinc/01/29/72/1014012972.db2.gz KWTICWHNFAWPDV-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001448724023 1014012974 /nfs/dbraw/zinc/01/29/74/1014012974.db2.gz KWTICWHNFAWPDV-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001448777915 1014034865 /nfs/dbraw/zinc/03/48/65/1014034865.db2.gz FDDTYGLXWQLPBV-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001448777915 1014034869 /nfs/dbraw/zinc/03/48/69/1014034869.db2.gz FDDTYGLXWQLPBV-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCCC1 ZINC001448777442 1014035159 /nfs/dbraw/zinc/03/51/59/1014035159.db2.gz VFXVXTYIYIZDKZ-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001448948560 1014104819 /nfs/dbraw/zinc/10/48/19/1014104819.db2.gz UVENTBUDXRXOLW-HZPDHXFCSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001448948560 1014104821 /nfs/dbraw/zinc/10/48/21/1014104821.db2.gz UVENTBUDXRXOLW-HZPDHXFCSA-N 1 3 305.422 0.513 20 0 DCADHO CC1CCN(CC(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001522467021 1014128885 /nfs/dbraw/zinc/12/88/85/1014128885.db2.gz DLVDOKAUQUIEKC-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449029656 1014143265 /nfs/dbraw/zinc/14/32/65/1014143265.db2.gz XMMHKVOSRNAUKT-ZIAGYGMSSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C[C@@H]1C ZINC001449032242 1014146693 /nfs/dbraw/zinc/14/66/93/1014146693.db2.gz ZRCWHNGGVKOAFY-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001449033079 1014148502 /nfs/dbraw/zinc/14/85/02/1014148502.db2.gz SJOMZWWYMJHYJA-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cn(C)cn2)C1 ZINC001549745885 1014441476 /nfs/dbraw/zinc/44/14/76/1014441476.db2.gz HLPAXVPXQSDZLS-RFQIPJPRSA-N 1 3 305.426 0.546 20 0 DCADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001550076534 1014551219 /nfs/dbraw/zinc/55/12/19/1014551219.db2.gz WPOPUYACIRQZAX-HZMVEIRTSA-N 1 3 315.417 0.721 20 0 DCADHO NCc1cn([C@H]2CCN(C(=O)C3([NH2+]C4CC4)CCC3)C2)nn1 ZINC001550096243 1014564622 /nfs/dbraw/zinc/56/46/22/1014564622.db2.gz HQKABGHJUBNNPI-ZDUSSCGKSA-N 1 3 304.398 0.185 20 0 DCADHO N[C@@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCOCC1 ZINC001550114372 1014581774 /nfs/dbraw/zinc/58/17/74/1014581774.db2.gz BQNXXJQKAFACMU-ZIAGYGMSSA-N 1 3 311.426 0.015 20 0 DCADHO N[C@@H](CC1CC1)C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001550195416 1014620684 /nfs/dbraw/zinc/62/06/84/1014620684.db2.gz VPYWSPGAVOCCMS-JSGCOSHPSA-N 1 3 303.410 0.363 20 0 DCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202626 1014625135 /nfs/dbraw/zinc/62/51/35/1014625135.db2.gz OWEPESCAMRZQTO-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200221 1014625550 /nfs/dbraw/zinc/62/55/50/1014625550.db2.gz DOHOQGQECKNFCZ-KBPBESRZSA-N 1 3 324.469 0.692 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)[C@@H]1CCCN1C ZINC001523369038 1014672513 /nfs/dbraw/zinc/67/25/13/1014672513.db2.gz DOOZUZYGZOZKPW-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)[C@@H]1CCCN1C ZINC001523369038 1014672517 /nfs/dbraw/zinc/67/25/17/1014672517.db2.gz DOOZUZYGZOZKPW-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)CN(C)C(C)C)C2 ZINC001550483212 1014730112 /nfs/dbraw/zinc/73/01/12/1014730112.db2.gz WWFYXAYFDSBRCB-FSDCSDTHSA-N 1 3 311.470 0.923 20 0 DCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NC(=O)CN(C)C(C)C)C2 ZINC001550483212 1014730123 /nfs/dbraw/zinc/73/01/23/1014730123.db2.gz WWFYXAYFDSBRCB-FSDCSDTHSA-N 1 3 311.470 0.923 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1)CC(C)(C)C ZINC001530448397 1014755909 /nfs/dbraw/zinc/75/59/09/1014755909.db2.gz HQRWPRSFDHOKCJ-CYBMUJFWSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC001530448397 1014755918 /nfs/dbraw/zinc/75/59/18/1014755918.db2.gz HQRWPRSFDHOKCJ-CYBMUJFWSA-N 1 3 324.469 0.243 20 0 DCADHO CN1[C@H]2CN(C(=O)NCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C[C@H]1CO ZINC001550750299 1014833656 /nfs/dbraw/zinc/83/36/56/1014833656.db2.gz JEIOJVAKKJIUFD-SFSMXDMGSA-N 1 3 322.453 0.223 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550761799 1014849096 /nfs/dbraw/zinc/84/90/96/1014849096.db2.gz GJBOUZVCQAGMDQ-WQVCFCJDSA-N 1 3 302.422 0.856 20 0 DCADHO CN1CCC[C@H](NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550760453 1014849902 /nfs/dbraw/zinc/84/99/02/1014849902.db2.gz GFFRXYHFRBIOBO-UONOGXRCSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC001551099706 1014964913 /nfs/dbraw/zinc/96/49/13/1014964913.db2.gz DHOSZMOIPOGXQL-FPCVCCKLSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC001551099706 1014964923 /nfs/dbraw/zinc/96/49/23/1014964923.db2.gz DHOSZMOIPOGXQL-FPCVCCKLSA-N 1 3 309.454 0.774 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN3C[C@@H](O)C[C@@H]3C2)C1 ZINC001551213057 1014997989 /nfs/dbraw/zinc/99/79/89/1014997989.db2.gz QVSXPFIJQALOCP-KFWWJZLASA-N 1 3 310.442 0.179 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CCN3C[C@@H](O)C[C@@H]3C2)C1 ZINC001551213057 1014997998 /nfs/dbraw/zinc/99/79/98/1014997998.db2.gz QVSXPFIJQALOCP-KFWWJZLASA-N 1 3 310.442 0.179 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001383406862 984806637 /nfs/dbraw/zinc/80/66/37/984806637.db2.gz WWTWLIRWJQPVEC-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001383406862 984806655 /nfs/dbraw/zinc/80/66/55/984806655.db2.gz WWTWLIRWJQPVEC-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001551508667 1015122448 /nfs/dbraw/zinc/12/24/48/1015122448.db2.gz RSVCVNJGJDXJBG-BFJAYTPKSA-N 1 3 316.405 0.072 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001384480367 985613006 /nfs/dbraw/zinc/61/30/06/985613006.db2.gz VHYNKIWKUQUDPQ-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001384480367 985613013 /nfs/dbraw/zinc/61/30/13/985613013.db2.gz VHYNKIWKUQUDPQ-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385296091 986224171 /nfs/dbraw/zinc/22/41/71/986224171.db2.gz HCCJGDWTBRTUHU-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001386342773 987089936 /nfs/dbraw/zinc/08/99/36/987089936.db2.gz DFKZKMXYTSBIGQ-APIJFGDWSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001386342773 987089944 /nfs/dbraw/zinc/08/99/44/987089944.db2.gz DFKZKMXYTSBIGQ-APIJFGDWSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001386859705 987459771 /nfs/dbraw/zinc/45/97/71/987459771.db2.gz KXYUHTQPOKGORI-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001386859705 987459774 /nfs/dbraw/zinc/45/97/74/987459774.db2.gz KXYUHTQPOKGORI-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001387144902 987658775 /nfs/dbraw/zinc/65/87/75/987658775.db2.gz NWAJGZHPGHGNFP-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001388696592 988519765 /nfs/dbraw/zinc/51/97/65/988519765.db2.gz DOABDZDXHKTIBN-RFQIPJPRSA-N 1 3 310.442 0.090 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H]1CCNC1=O ZINC001388762087 988565722 /nfs/dbraw/zinc/56/57/22/988565722.db2.gz MTFNGFUPHBHFHI-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H]1CCNC1=O ZINC001388762087 988565725 /nfs/dbraw/zinc/56/57/25/988565725.db2.gz MTFNGFUPHBHFHI-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552692499 1015492344 /nfs/dbraw/zinc/49/23/44/1015492344.db2.gz DYBLRKSZCWBCMK-FMCLSXCISA-N 1 3 306.414 0.543 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)C1 ZINC001552693499 1015494446 /nfs/dbraw/zinc/49/44/46/1015494446.db2.gz AYVTUVUVPQHKEW-NFAWXSAZSA-N 1 3 320.441 0.792 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001527562279 1015500161 /nfs/dbraw/zinc/50/01/61/1015500161.db2.gz MDKAGDYVFGGRJS-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001527562279 1015500168 /nfs/dbraw/zinc/50/01/68/1015500168.db2.gz MDKAGDYVFGGRJS-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001390011521 989745880 /nfs/dbraw/zinc/74/58/80/989745880.db2.gz OTVHCRPNFGJBFR-GUTXKFCHSA-N 1 3 322.457 0.621 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001390127753 989848048 /nfs/dbraw/zinc/84/80/48/989848048.db2.gz TYLGVQSSAHBJJJ-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@H]1CCc2ncnn21 ZINC001390399884 990059579 /nfs/dbraw/zinc/05/95/79/990059579.db2.gz LNXJIMNXNKPCKB-GXTWGEPZSA-N 1 3 320.441 0.344 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001390511367 990162383 /nfs/dbraw/zinc/16/23/83/990162383.db2.gz PNMJKSKKZZODMU-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001390511367 990162385 /nfs/dbraw/zinc/16/23/85/990162385.db2.gz PNMJKSKKZZODMU-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001390573407 990210274 /nfs/dbraw/zinc/21/02/74/990210274.db2.gz DSIWKCZSBUHMTN-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001390601528 990237070 /nfs/dbraw/zinc/23/70/70/990237070.db2.gz IXTBBPAYMHUJHM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552842367 1015549402 /nfs/dbraw/zinc/54/94/02/1015549402.db2.gz AQHIITRJJCADLE-HLLBOEOZSA-N 1 3 307.438 0.888 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001451047675 1015557965 /nfs/dbraw/zinc/55/79/65/1015557965.db2.gz HXEPWXMRPOCOBD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001451047675 1015557971 /nfs/dbraw/zinc/55/79/71/1015557971.db2.gz HXEPWXMRPOCOBD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN[C@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001391219710 990680369 /nfs/dbraw/zinc/68/03/69/990680369.db2.gz LRLQEUSUPYJJJK-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN[C@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391219710 990680372 /nfs/dbraw/zinc/68/03/72/990680372.db2.gz LRLQEUSUPYJJJK-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCCN(C)C1=O ZINC001391355862 990777055 /nfs/dbraw/zinc/77/70/55/990777055.db2.gz PIMMFGOPMXTWKK-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(=O)N1CCO[C@@H]2CN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001553014193 1015590911 /nfs/dbraw/zinc/59/09/11/1015590911.db2.gz MCNRZBCFXKGUMT-LDBYLJPUSA-N 1 3 307.438 0.839 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001391821008 991202823 /nfs/dbraw/zinc/20/28/23/991202823.db2.gz YOGBLERKUKDZDX-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001391863255 991235218 /nfs/dbraw/zinc/23/52/18/991235218.db2.gz RLVVRJKZZGMAFZ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001391935616 991303010 /nfs/dbraw/zinc/30/30/10/991303010.db2.gz MTADCDVHIDHMFI-UONOGXRCSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)nn1C ZINC001391936673 991305459 /nfs/dbraw/zinc/30/54/59/991305459.db2.gz PCYCDOPTIBVMSQ-UONOGXRCSA-N 1 3 321.469 0.912 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nc1C)N(C)C ZINC001391940377 991308165 /nfs/dbraw/zinc/30/81/65/991308165.db2.gz UIICHJYHEAOODZ-DOMZBBRYSA-N 1 3 309.458 0.911 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001391949379 991320760 /nfs/dbraw/zinc/32/07/60/991320760.db2.gz LXEKZAWLKDHZGV-CYBMUJFWSA-N 1 3 305.426 0.358 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1cnn(C)c1)[NH+](C)C ZINC001392078158 991470230 /nfs/dbraw/zinc/47/02/30/991470230.db2.gz UNLSZPOQKXZHLZ-HIFRSBDPSA-N 1 3 309.458 0.943 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001553217503 1015643543 /nfs/dbraw/zinc/64/35/43/1015643543.db2.gz SVXSZSHZPFNSRY-ZIAGYGMSSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001392168899 991569003 /nfs/dbraw/zinc/56/90/03/991569003.db2.gz OUHCJPUVOJFTSK-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001392441745 991934369 /nfs/dbraw/zinc/93/43/69/991934369.db2.gz HLXWLWNSJDYHFL-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H](C)C(=O)NC)CC[N@H+]1C ZINC001392441745 991934378 /nfs/dbraw/zinc/93/43/78/991934378.db2.gz HLXWLWNSJDYHFL-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392522653 992043984 /nfs/dbraw/zinc/04/39/84/992043984.db2.gz AKJXXYMIQJYBOY-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392522653 992043993 /nfs/dbraw/zinc/04/39/93/992043993.db2.gz AKJXXYMIQJYBOY-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001392595930 992139769 /nfs/dbraw/zinc/13/97/69/992139769.db2.gz ZDWCFLWDSIKAGM-STQMWFEESA-N 1 3 314.474 0.535 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)N1CCCC1)C1CC1)N(C)C ZINC001392783618 992389662 /nfs/dbraw/zinc/38/96/62/992389662.db2.gz KSVMDHQGAFMSRZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001393044383 992646936 /nfs/dbraw/zinc/64/69/36/992646936.db2.gz GEEZKLDRRUNOJR-AWEZNQCLSA-N 1 3 324.469 0.705 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001393044383 992646939 /nfs/dbraw/zinc/64/69/39/992646939.db2.gz GEEZKLDRRUNOJR-AWEZNQCLSA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001393053016 992653287 /nfs/dbraw/zinc/65/32/87/992653287.db2.gz XHMRGLHWZHEBJA-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001393055738 992655551 /nfs/dbraw/zinc/65/55/51/992655551.db2.gz QEFIRLXMJGRGCB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001393158626 992721840 /nfs/dbraw/zinc/72/18/40/992721840.db2.gz JBOMNHVKHWHFRE-PBHICJAKSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001393357960 992913854 /nfs/dbraw/zinc/91/38/54/992913854.db2.gz VXHKGUIDJBAYFS-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001393804217 993266156 /nfs/dbraw/zinc/26/61/56/993266156.db2.gz KNXCZDPUDPWEBZ-STQMWFEESA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001394437580 993704130 /nfs/dbraw/zinc/70/41/30/993704130.db2.gz XXFDBOBROCGFNI-FZMZJTMJSA-N 1 3 310.442 0.171 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399931541 993944841 /nfs/dbraw/zinc/94/48/41/993944841.db2.gz LURRALNLURPBOE-SOUVJXGZSA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399931541 993944846 /nfs/dbraw/zinc/94/48/46/993944846.db2.gz LURRALNLURPBOE-SOUVJXGZSA-N 1 3 315.458 0.018 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+][C@H]2CCNC2=O)C(C)(C)C)CCC1 ZINC001394821849 994187358 /nfs/dbraw/zinc/18/73/58/994187358.db2.gz MMLZPUWEECDFQP-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCNC(=O)CC1 ZINC001400598657 994691673 /nfs/dbraw/zinc/69/16/73/994691673.db2.gz RVMCXACBJUHBER-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001395619331 994809405 /nfs/dbraw/zinc/80/94/05/994809405.db2.gz NNASKAQVCJTRJD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001400863052 995018734 /nfs/dbraw/zinc/01/87/34/995018734.db2.gz LEEAVDYMZWQLHT-UKRRQHHQSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001400863052 995018740 /nfs/dbraw/zinc/01/87/40/995018740.db2.gz LEEAVDYMZWQLHT-UKRRQHHQSA-N 1 3 324.469 0.753 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCN(C)C1=O ZINC001401092095 995167503 /nfs/dbraw/zinc/16/75/03/995167503.db2.gz WMTTVADYCAMFIL-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCN(C)C1=O ZINC001401092095 995167509 /nfs/dbraw/zinc/16/75/09/995167509.db2.gz WMTTVADYCAMFIL-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001396485421 995425867 /nfs/dbraw/zinc/42/58/67/995425867.db2.gz XYZZLEKNTCPXHV-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396485421 995425871 /nfs/dbraw/zinc/42/58/71/995425871.db2.gz XYZZLEKNTCPXHV-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001397286395 995905268 /nfs/dbraw/zinc/90/52/68/995905268.db2.gz XZZYYZDBAKFOPS-OKILXGFUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001397462273 996013347 /nfs/dbraw/zinc/01/33/47/996013347.db2.gz UMJHIVQMYIQTPH-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001397613462 996097070 /nfs/dbraw/zinc/09/70/70/996097070.db2.gz MUZXATXGAAQGMO-OKILXGFUSA-N 1 3 308.430 0.103 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001397663297 996122191 /nfs/dbraw/zinc/12/21/91/996122191.db2.gz LHBHZQREWIAPIO-SYQHCUMBSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2cnn(C)c2)C2CC2)C1 ZINC001398461461 996529407 /nfs/dbraw/zinc/52/94/07/996529407.db2.gz XQBUXPJAEKOESO-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001398599657 996597167 /nfs/dbraw/zinc/59/71/67/996597167.db2.gz XZAZXWUGTXBYOE-OAHLLOKOSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001398599657 996597173 /nfs/dbraw/zinc/59/71/73/996597173.db2.gz XZAZXWUGTXBYOE-OAHLLOKOSA-N 1 3 324.469 0.526 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001398613688 996604122 /nfs/dbraw/zinc/60/41/22/996604122.db2.gz GGZGCENGKWSQIO-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001398613688 996604124 /nfs/dbraw/zinc/60/41/24/996604124.db2.gz GGZGCENGKWSQIO-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1)[NH+](C)C ZINC001398621832 996609340 /nfs/dbraw/zinc/60/93/40/996609340.db2.gz IHILIXVWQYEJJN-CQSZACIVSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001502738883 1016048180 /nfs/dbraw/zinc/04/81/80/1016048180.db2.gz UXAOGCJELYXETM-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001398773583 996681730 /nfs/dbraw/zinc/68/17/30/996681730.db2.gz RPEKDTYKEVCEKI-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001404308883 996950644 /nfs/dbraw/zinc/95/06/44/996950644.db2.gz DHDNXXBBNPVBOX-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)Cc1c[nH]cn1 ZINC001404427984 997102104 /nfs/dbraw/zinc/10/21/04/997102104.db2.gz MDPAQGJGZLVWDT-LBPRGKRZSA-N 1 3 319.409 0.011 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001404547785 997227039 /nfs/dbraw/zinc/22/70/39/997227039.db2.gz LUGTWBIHYVNTRX-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001404547785 997227050 /nfs/dbraw/zinc/22/70/50/997227050.db2.gz LUGTWBIHYVNTRX-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001404627092 997308147 /nfs/dbraw/zinc/30/81/47/997308147.db2.gz CXHQLHLQPMVKIO-ZIAGYGMSSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404627092 997308159 /nfs/dbraw/zinc/30/81/59/997308159.db2.gz CXHQLHLQPMVKIO-ZIAGYGMSSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)CN1CC[C@H](C)C1 ZINC001399420812 997345667 /nfs/dbraw/zinc/34/56/67/997345667.db2.gz SDYDDMNIVNBLLL-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001404689022 997379947 /nfs/dbraw/zinc/37/99/47/997379947.db2.gz YSXICHHHLPWBOG-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@@H](C)N1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001405068857 997752454 /nfs/dbraw/zinc/75/24/54/997752454.db2.gz XGVJGWDFQBAYRJ-ZIAGYGMSSA-N 1 3 313.442 0.323 20 0 DCADHO CCc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001507260462 1016192517 /nfs/dbraw/zinc/19/25/17/1016192517.db2.gz LJKSTNRJJRNTQQ-SJORKVTESA-N 1 3 319.449 0.767 20 0 DCADHO CCc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001507260462 1016192520 /nfs/dbraw/zinc/19/25/20/1016192520.db2.gz LJKSTNRJJRNTQQ-SJORKVTESA-N 1 3 319.449 0.767 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)C2CC[NH+](C)CC2)on1 ZINC001405695711 998476726 /nfs/dbraw/zinc/47/67/26/998476726.db2.gz DUZLFVHLUAOUBE-LBPRGKRZSA-N 1 3 324.425 0.867 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCCO)C1 ZINC001505416287 1016222514 /nfs/dbraw/zinc/22/25/14/1016222514.db2.gz DFKAKAAVCAODDA-USXIJHARSA-N 1 3 317.433 0.692 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCCO)C1 ZINC001505416287 1016222525 /nfs/dbraw/zinc/22/25/25/1016222525.db2.gz DFKAKAAVCAODDA-USXIJHARSA-N 1 3 317.433 0.692 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@H]1C ZINC001507293400 1016224142 /nfs/dbraw/zinc/22/41/42/1016224142.db2.gz MUUOQZHECKDAQS-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@H]1C ZINC001507293400 1016224148 /nfs/dbraw/zinc/22/41/48/1016224148.db2.gz MUUOQZHECKDAQS-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1C ZINC001507329573 1016256771 /nfs/dbraw/zinc/25/67/71/1016256771.db2.gz WBPMIKHTLGDRMK-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001507443894 1016332478 /nfs/dbraw/zinc/33/24/78/1016332478.db2.gz RHZHSISJMDVHLO-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001401122228 1000209528 /nfs/dbraw/zinc/20/95/28/1000209528.db2.gz YHISIBPPQOAROE-ZFWWWQNUSA-N 1 3 309.458 0.848 20 0 DCADHO CC[C@H](F)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507485080 1016395588 /nfs/dbraw/zinc/39/55/88/1016395588.db2.gz PWLITVUNXKYTEZ-STQMWFEESA-N 1 3 303.422 0.628 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401217439 1000280746 /nfs/dbraw/zinc/28/07/46/1000280746.db2.gz VPDOZUZETNAGRD-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401217439 1000280750 /nfs/dbraw/zinc/28/07/50/1000280750.db2.gz VPDOZUZETNAGRD-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401229907 1000291794 /nfs/dbraw/zinc/29/17/94/1000291794.db2.gz ABMUTVHVLZBALO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1NCc1cn(C)nn1 ZINC001401300435 1000337146 /nfs/dbraw/zinc/33/71/46/1000337146.db2.gz QXRHANYZHPIFTN-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO Cn1nccc1CN[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001418640839 1000415220 /nfs/dbraw/zinc/41/52/20/1000415220.db2.gz ROBPIMDADUWYAF-OKILXGFUSA-N 1 3 307.442 0.746 20 0 DCADHO CCn1cc(CC[N@H+](C)CCN(C)C(=O)CN2CCCC2)cn1 ZINC001401440519 1000425250 /nfs/dbraw/zinc/42/52/50/1000425250.db2.gz SCEQSHOWECGVDA-UHFFFAOYSA-N 1 3 321.469 0.932 20 0 DCADHO CCn1cc(CC[N@@H+](C)CCN(C)C(=O)CN2CCCC2)cn1 ZINC001401440519 1000425253 /nfs/dbraw/zinc/42/52/53/1000425253.db2.gz SCEQSHOWECGVDA-UHFFFAOYSA-N 1 3 321.469 0.932 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001401534204 1000474992 /nfs/dbraw/zinc/47/49/92/1000474992.db2.gz CAHSTCLGKZPUJD-HOTGVXAUSA-N 1 3 322.453 0.543 20 0 DCADHO Cc1cncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001401539551 1000478769 /nfs/dbraw/zinc/47/87/69/1000478769.db2.gz KKXSKBYBOCVEEM-CVEARBPZSA-N 1 3 322.453 0.543 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCc2ccns2)CC1 ZINC001401577187 1000513546 /nfs/dbraw/zinc/51/35/46/1000513546.db2.gz SWFFFUGZNJKQGR-LLVKDONJSA-N 1 3 312.439 0.052 20 0 DCADHO Cc1nc(CN[C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001418792590 1000525021 /nfs/dbraw/zinc/52/50/21/1000525021.db2.gz NWJACWDEGFQBSN-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001418803694 1000531430 /nfs/dbraw/zinc/53/14/30/1000531430.db2.gz ALHFZHHKPOAZKE-APIJFGDWSA-N 1 3 315.458 0.159 20 0 DCADHO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001418803694 1000531434 /nfs/dbraw/zinc/53/14/34/1000531434.db2.gz ALHFZHHKPOAZKE-APIJFGDWSA-N 1 3 315.458 0.159 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@H]2CCCNC2=O)CC1 ZINC001418824651 1000552769 /nfs/dbraw/zinc/55/27/69/1000552769.db2.gz GFLIDYHBMSVUPT-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001418833358 1000559712 /nfs/dbraw/zinc/55/97/12/1000559712.db2.gz UQXWSFSZELSLTI-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001418833358 1000559717 /nfs/dbraw/zinc/55/97/17/1000559717.db2.gz UQXWSFSZELSLTI-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1=O ZINC001401665937 1000606263 /nfs/dbraw/zinc/60/62/63/1000606263.db2.gz GNSYEGLBBHASOF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001401673396 1000613243 /nfs/dbraw/zinc/61/32/43/1000613243.db2.gz QUVISZQNMBIJMS-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001418941525 1000634351 /nfs/dbraw/zinc/63/43/51/1000634351.db2.gz HTNMKCJKGIUPQI-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001418941525 1000634355 /nfs/dbraw/zinc/63/43/55/1000634355.db2.gz HTNMKCJKGIUPQI-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCCC1 ZINC001401858474 1000792155 /nfs/dbraw/zinc/79/21/55/1000792155.db2.gz BQIKWTMCTVBDDS-HOCLYGCPSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1ncnn1C ZINC001401863391 1000799328 /nfs/dbraw/zinc/79/93/28/1000799328.db2.gz GKOJNMJVZUEQKM-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO COC[C@H](O)CN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001419188596 1000863472 /nfs/dbraw/zinc/86/34/72/1000863472.db2.gz FHGKCDKBHPKYLK-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1cnnn1C ZINC001419199848 1000875029 /nfs/dbraw/zinc/87/50/29/1000875029.db2.gz PMNDDOHGNVJOBW-CYBMUJFWSA-N 1 3 320.441 0.428 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001419211410 1000882909 /nfs/dbraw/zinc/88/29/09/1000882909.db2.gz RWFKATZCLGFYHI-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001401951730 1000893531 /nfs/dbraw/zinc/89/35/31/1000893531.db2.gz ZCZYUQCPHYZLNZ-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001401951730 1000893536 /nfs/dbraw/zinc/89/35/36/1000893536.db2.gz ZCZYUQCPHYZLNZ-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC001401978229 1000921458 /nfs/dbraw/zinc/92/14/58/1000921458.db2.gz BTPMXSAREWQVKV-CJNGLKHVSA-N 1 3 318.421 0.926 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(C)C ZINC001419269415 1000934621 /nfs/dbraw/zinc/93/46/21/1000934621.db2.gz VLGQDWOVSULVDB-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001402052654 1000977912 /nfs/dbraw/zinc/97/79/12/1000977912.db2.gz MUZHNSPZHIEWTJ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001402083299 1001002130 /nfs/dbraw/zinc/00/21/30/1001002130.db2.gz TWUKBCVELYJNES-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001402083299 1001002134 /nfs/dbraw/zinc/00/21/34/1001002134.db2.gz TWUKBCVELYJNES-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419423369 1001039718 /nfs/dbraw/zinc/03/97/18/1001039718.db2.gz POLHUMQYPUKTSL-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419423369 1001039722 /nfs/dbraw/zinc/03/97/22/1001039722.db2.gz POLHUMQYPUKTSL-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001419426192 1001041706 /nfs/dbraw/zinc/04/17/06/1001041706.db2.gz OYWHEEBSMJADMM-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001419521947 1001112837 /nfs/dbraw/zinc/11/28/37/1001112837.db2.gz YEWCAXCQIIPZJA-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001419564731 1001142944 /nfs/dbraw/zinc/14/29/44/1001142944.db2.gz RWOZUIKJYCWMMO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC2CCC2)C1)N(C)C ZINC001402275272 1001167467 /nfs/dbraw/zinc/16/74/67/1001167467.db2.gz PSXZCUZZWLZRKE-DOTOQJQBSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC2CCC2)C1)N(C)C ZINC001402275272 1001167471 /nfs/dbraw/zinc/16/74/71/1001167471.db2.gz PSXZCUZZWLZRKE-DOTOQJQBSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001419658906 1001203410 /nfs/dbraw/zinc/20/34/10/1001203410.db2.gz YDEQTPKMVMLLJC-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001419670400 1001209967 /nfs/dbraw/zinc/20/99/67/1001209967.db2.gz IJAWSCYTTWPRMO-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001419679405 1001217462 /nfs/dbraw/zinc/21/74/62/1001217462.db2.gz GQTUJFXOLUYWES-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001402409755 1001284401 /nfs/dbraw/zinc/28/44/01/1001284401.db2.gz KXCIXOBTBBCOQN-KGLIPLIRSA-N 1 3 312.458 0.099 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001419773143 1001296580 /nfs/dbraw/zinc/29/65/80/1001296580.db2.gz VTTNCVHIWMUAAJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NCC)C1 ZINC001402436247 1001305933 /nfs/dbraw/zinc/30/59/33/1001305933.db2.gz SDBGOKXUGJQZON-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(CCN(C)CC(N)=O)CC2)C1 ZINC001419840903 1001348168 /nfs/dbraw/zinc/34/81/68/1001348168.db2.gz QXTUIRRRCDVIOH-CQSZACIVSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CCN(C)CC(N)=O)CC2)C1 ZINC001419840903 1001348172 /nfs/dbraw/zinc/34/81/72/1001348172.db2.gz QXTUIRRRCDVIOH-CQSZACIVSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001419853976 1001357252 /nfs/dbraw/zinc/35/72/52/1001357252.db2.gz REXVNRFBNCBVDG-KBPBESRZSA-N 1 3 307.442 0.399 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001402506477 1001368383 /nfs/dbraw/zinc/36/83/83/1001368383.db2.gz JAPGJNHQXOAHTM-IIAWOOMASA-N 1 3 321.469 0.786 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cncn3C)CCC2)CC[N@@H+]1C ZINC001402542619 1001396920 /nfs/dbraw/zinc/39/69/20/1001396920.db2.gz DBFRJPQVEXBAQA-UKRRQHHQSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cncn3C)CCC2)CC[N@H+]1C ZINC001402542619 1001396932 /nfs/dbraw/zinc/39/69/32/1001396932.db2.gz DBFRJPQVEXBAQA-UKRRQHHQSA-N 1 3 319.453 0.889 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001419936076 1001417642 /nfs/dbraw/zinc/41/76/42/1001417642.db2.gz MOWIDDFLTUVCBS-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001419941616 1001420684 /nfs/dbraw/zinc/42/06/84/1001420684.db2.gz VIQJAPGMWKEKFR-ZFWWWQNUSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](F)CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001402599801 1001433514 /nfs/dbraw/zinc/43/35/14/1001433514.db2.gz MAAPIYWCHKHMDY-UONOGXRCSA-N 1 3 313.417 0.647 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001402630068 1001450725 /nfs/dbraw/zinc/45/07/25/1001450725.db2.gz MBDAKKNBSGFYNH-SCRDCRAPSA-N 1 3 308.430 0.138 20 0 DCADHO CC(C)(C(=O)N1CCCC[C@@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001402757338 1001490959 /nfs/dbraw/zinc/49/09/59/1001490959.db2.gz PDBZBCYPMWVNFJ-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]C[C@@H](C)OC)CC1)N(C)C ZINC001402801956 1001508901 /nfs/dbraw/zinc/50/89/01/1001508901.db2.gz FMHXDBDSEGEQGC-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001402822631 1001517264 /nfs/dbraw/zinc/51/72/64/1001517264.db2.gz KMVQOYBDXDIATL-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001402900142 1001565210 /nfs/dbraw/zinc/56/52/10/1001565210.db2.gz OXYOGAJGVZLJPJ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)NCC)C1 ZINC001402987187 1001620509 /nfs/dbraw/zinc/62/05/09/1001620509.db2.gz SLJVAPHFZHOLQX-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)NCC)C1 ZINC001402987187 1001620514 /nfs/dbraw/zinc/62/05/14/1001620514.db2.gz SLJVAPHFZHOLQX-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001403017429 1001633173 /nfs/dbraw/zinc/63/31/73/1001633173.db2.gz ZCZBVZRTGFALFY-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001403041833 1001646362 /nfs/dbraw/zinc/64/63/62/1001646362.db2.gz HYHGNTWPVCPOFD-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001403254457 1001765045 /nfs/dbraw/zinc/76/50/45/1001765045.db2.gz QKJSKTDUQXIBJV-GOEBONIOSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505761015 1016533337 /nfs/dbraw/zinc/53/33/37/1016533337.db2.gz QFURJVSTKKRXHQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1 ZINC001420148146 1001943166 /nfs/dbraw/zinc/94/31/66/1001943166.db2.gz WJSBWFJNGBYYBX-INIZCTEOSA-N 1 3 320.437 0.441 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001403432488 1001958384 /nfs/dbraw/zinc/95/83/84/1001958384.db2.gz CGWSXQHRYDCFNZ-ZQDZILKHSA-N 1 3 324.469 0.336 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001403450050 1001975070 /nfs/dbraw/zinc/97/50/70/1001975070.db2.gz MNYPHOCDZUUQEM-TUVASFSCSA-N 1 3 324.469 0.099 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001403450050 1001975074 /nfs/dbraw/zinc/97/50/74/1001975074.db2.gz MNYPHOCDZUUQEM-TUVASFSCSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccsc1)N(C)C ZINC001420199769 1002025893 /nfs/dbraw/zinc/02/58/93/1002025893.db2.gz GAOGNUVGSPCCLS-ZIAGYGMSSA-N 1 3 313.467 0.901 20 0 DCADHO C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001424797449 1002034483 /nfs/dbraw/zinc/03/44/83/1002034483.db2.gz MDNRPBGFKFBYGN-NEPJUHHUSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@H](NCc1cnnn1C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001424830880 1002069201 /nfs/dbraw/zinc/06/92/01/1002069201.db2.gz RBVDANAQGFKHFM-STQMWFEESA-N 1 3 322.457 0.530 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420244355 1002106444 /nfs/dbraw/zinc/10/64/44/1002106444.db2.gz VZOTXYSASOPOMZ-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420244355 1002106446 /nfs/dbraw/zinc/10/64/46/1002106446.db2.gz VZOTXYSASOPOMZ-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)NC1CC1)C(=O)CN1CCCC1 ZINC001420246993 1002109795 /nfs/dbraw/zinc/10/97/95/1002109795.db2.gz CKURDMJZTPKJSY-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](NC[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001403556854 1002135591 /nfs/dbraw/zinc/13/55/91/1002135591.db2.gz TVOYZRNUYSQSHE-DGCLKSJQSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001420344435 1002254427 /nfs/dbraw/zinc/25/44/27/1002254427.db2.gz ODIVWABVOMHYGK-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420371629 1002293519 /nfs/dbraw/zinc/29/35/19/1002293519.db2.gz NMAIFQGGMBQLKM-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420371629 1002293527 /nfs/dbraw/zinc/29/35/27/1002293527.db2.gz NMAIFQGGMBQLKM-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)C[C@H]2CCNC(=O)CC2)C1 ZINC001403688704 1002354682 /nfs/dbraw/zinc/35/46/82/1002354682.db2.gz RHPXCDWYXCMZLO-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)C[C@H]2CCNC(=O)CC2)C1 ZINC001403688704 1002354687 /nfs/dbraw/zinc/35/46/87/1002354687.db2.gz RHPXCDWYXCMZLO-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001425110141 1002369006 /nfs/dbraw/zinc/36/90/06/1002369006.db2.gz XAXXYTSWXMDBBD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425110141 1002369019 /nfs/dbraw/zinc/36/90/19/1002369019.db2.gz XAXXYTSWXMDBBD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001420460062 1002448682 /nfs/dbraw/zinc/44/86/82/1002448682.db2.gz ZBSGCEBUALQQDG-FQUUOJAGSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001420460062 1002448686 /nfs/dbraw/zinc/44/86/86/1002448686.db2.gz ZBSGCEBUALQQDG-FQUUOJAGSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1cccc(C[NH2+][C@@H](CO)CNC(=O)CN(C)C(C)C)c1 ZINC001403747073 1002463594 /nfs/dbraw/zinc/46/35/94/1002463594.db2.gz IRPWOWVZBOWCAY-MRXNPFEDSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(CCO)C1 ZINC001425247797 1002477443 /nfs/dbraw/zinc/47/74/43/1002477443.db2.gz PESMUPJHQPTNRO-BLLLJJGKSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CN(CCO)C1 ZINC001425247797 1002477447 /nfs/dbraw/zinc/47/74/47/1002477447.db2.gz PESMUPJHQPTNRO-BLLLJJGKSA-N 1 3 315.433 0.628 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001403800663 1002540082 /nfs/dbraw/zinc/54/00/82/1002540082.db2.gz DZKDRQJUTRJMQV-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001420534249 1002570942 /nfs/dbraw/zinc/57/09/42/1002570942.db2.gz GUPVZWVKMIHDRQ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420567422 1002628009 /nfs/dbraw/zinc/62/80/09/1002628009.db2.gz KEIADUXJZVHNEO-IIAWOOMASA-N 1 3 321.469 0.739 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420567422 1002628019 /nfs/dbraw/zinc/62/80/19/1002628019.db2.gz KEIADUXJZVHNEO-IIAWOOMASA-N 1 3 321.469 0.739 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001425416263 1002656550 /nfs/dbraw/zinc/65/65/50/1002656550.db2.gz KOWLUIKLTWMDMJ-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001425488352 1002730109 /nfs/dbraw/zinc/73/01/09/1002730109.db2.gz NQYAPKFTJMDSFL-CABCVRRESA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CCNC(=O)CC1CC[NH+](C)CC1)CCn1cncn1 ZINC001403923522 1002747563 /nfs/dbraw/zinc/74/75/63/1002747563.db2.gz SHSRNJINNDYHDB-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO CN1CC[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C1=O ZINC001403981217 1002842752 /nfs/dbraw/zinc/84/27/52/1002842752.db2.gz FJVUTQKWHHCLDW-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001425638931 1002918940 /nfs/dbraw/zinc/91/89/40/1002918940.db2.gz LIPKNBRYLVPWDT-JSGCOSHPSA-N 1 3 321.425 0.400 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001425646334 1002922851 /nfs/dbraw/zinc/92/28/51/1002922851.db2.gz FBUQNEFTEZISGN-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001425646334 1002922860 /nfs/dbraw/zinc/92/28/60/1002922860.db2.gz FBUQNEFTEZISGN-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001425646334 1002922869 /nfs/dbraw/zinc/92/28/69/1002922869.db2.gz FBUQNEFTEZISGN-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001420879539 1003078073 /nfs/dbraw/zinc/07/80/73/1003078073.db2.gz UNVXFXVIMWDYFN-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO Cn1nccc1CN1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001420883942 1003083509 /nfs/dbraw/zinc/08/35/09/1003083509.db2.gz KHJJBUUNADTQIN-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1nccc1CN1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001420883942 1003083521 /nfs/dbraw/zinc/08/35/21/1003083521.db2.gz KHJJBUUNADTQIN-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001420945720 1003163349 /nfs/dbraw/zinc/16/33/49/1003163349.db2.gz FNNYGCJKZXSJFQ-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCN(C)C2=O)C1 ZINC001420945720 1003163351 /nfs/dbraw/zinc/16/33/51/1003163351.db2.gz FNNYGCJKZXSJFQ-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001405884018 1003170760 /nfs/dbraw/zinc/17/07/60/1003170760.db2.gz FNDXSMPOLCQTTH-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)C(N)=O ZINC001420974084 1003192244 /nfs/dbraw/zinc/19/22/44/1003192244.db2.gz OSCLAKVCHKUXRM-AVGNSLFASA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)C(N)=O ZINC001420974084 1003192250 /nfs/dbraw/zinc/19/22/50/1003192250.db2.gz OSCLAKVCHKUXRM-AVGNSLFASA-N 1 3 310.442 0.219 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)CC(C)C ZINC001405956339 1003220645 /nfs/dbraw/zinc/22/06/45/1003220645.db2.gz HUPVTYGVGZRCFE-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@H](N[C@H]2CCCNC2=O)C(C)(C)C1 ZINC001425968751 1003291752 /nfs/dbraw/zinc/29/17/52/1003291752.db2.gz SZMKBABZMNWAOE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C(C)C)N(C)C ZINC001406062524 1003312023 /nfs/dbraw/zinc/31/20/23/1003312023.db2.gz JCCHXNNNHPOKCG-QWHCGFSZSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC2CCCC2)C1 ZINC001426044863 1003371395 /nfs/dbraw/zinc/37/13/95/1003371395.db2.gz NADCYWOFRROABT-GOEBONIOSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001421169357 1003401397 /nfs/dbraw/zinc/40/13/97/1003401397.db2.gz LXDBBNMHVYMNKZ-OCCSQVGLSA-N 1 3 310.442 0.078 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001421172117 1003402681 /nfs/dbraw/zinc/40/26/81/1003402681.db2.gz MFKAVYIOCXHAFS-BPLDGKMQSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001421172117 1003402684 /nfs/dbraw/zinc/40/26/84/1003402684.db2.gz MFKAVYIOCXHAFS-BPLDGKMQSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001421325950 1003544901 /nfs/dbraw/zinc/54/49/01/1003544901.db2.gz DSQQJNXNJQMREC-UONOGXRCSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@@H](F)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001421325950 1003544903 /nfs/dbraw/zinc/54/49/03/1003544903.db2.gz DSQQJNXNJQMREC-UONOGXRCSA-N 1 3 315.433 0.941 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001406301525 1003585044 /nfs/dbraw/zinc/58/50/44/1003585044.db2.gz LGTDVKFTLMBWPS-OAHLLOKOSA-N 1 3 308.426 0.297 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001406301827 1003585564 /nfs/dbraw/zinc/58/55/64/1003585564.db2.gz LXJAWZQRROMPPC-QWHCGFSZSA-N 1 3 321.412 0.829 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001406358821 1003637427 /nfs/dbraw/zinc/63/74/27/1003637427.db2.gz IBXXFKUMPBLRJE-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001426242914 1003674399 /nfs/dbraw/zinc/67/43/99/1003674399.db2.gz DFTNYSKBXPRIDL-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C2CCC2)C1=O)NC(=O)CC[NH+](C)C ZINC001406517672 1003781760 /nfs/dbraw/zinc/78/17/60/1003781760.db2.gz YHNYAZQZVIVAHU-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406597635 1003904606 /nfs/dbraw/zinc/90/46/06/1003904606.db2.gz DRELOAUTNAXKFM-DZGCQCFKSA-N 1 3 320.441 0.056 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001406767986 1004075487 /nfs/dbraw/zinc/07/54/87/1004075487.db2.gz CWNXTVOIFORDKX-LSDHHAIUSA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001406767986 1004075498 /nfs/dbraw/zinc/07/54/98/1004075498.db2.gz CWNXTVOIFORDKX-LSDHHAIUSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001406918516 1004221165 /nfs/dbraw/zinc/22/11/65/1004221165.db2.gz LPRUMYZLXUHVFT-CQSZACIVSA-N 1 3 320.441 0.389 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001427146726 1004230912 /nfs/dbraw/zinc/23/09/12/1004230912.db2.gz WFDVEMVGSQFRHQ-ZDUSSCGKSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001407008768 1004303609 /nfs/dbraw/zinc/30/36/09/1004303609.db2.gz OOKPKDKOQMCYSK-HUUCEWRRSA-N 1 3 319.453 0.994 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001407100168 1004381187 /nfs/dbraw/zinc/38/11/87/1004381187.db2.gz KLCXACAAYMDPLZ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001407101367 1004382921 /nfs/dbraw/zinc/38/29/21/1004382921.db2.gz YMPJRDCFIHHXLE-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)C1CCC1 ZINC001429474966 1004620619 /nfs/dbraw/zinc/62/06/19/1004620619.db2.gz DYFOSKUMMCAMPK-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO Cn1ncnc1CNC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001407683124 1004805798 /nfs/dbraw/zinc/80/57/98/1004805798.db2.gz FDIJXYFMUXFRAL-HDJSIYSDSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001407834415 1004890846 /nfs/dbraw/zinc/89/08/46/1004890846.db2.gz IUWKHMNFQNKQLR-KBUPBQIOSA-N 1 3 324.469 0.430 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001407834415 1004890853 /nfs/dbraw/zinc/89/08/53/1004890853.db2.gz IUWKHMNFQNKQLR-KBUPBQIOSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001408094136 1005036748 /nfs/dbraw/zinc/03/67/48/1005036748.db2.gz BEXFWBIEKJSRSF-GXTWGEPZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001408316293 1005156182 /nfs/dbraw/zinc/15/61/82/1005156182.db2.gz RWWHVTNTYNIVCF-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001408409704 1005194077 /nfs/dbraw/zinc/19/40/77/1005194077.db2.gz GNGPQGTUPJQQPI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001415020782 1005443182 /nfs/dbraw/zinc/44/31/82/1005443182.db2.gz XGLIXCSEYPOORC-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(C(=O)Cc2c[nH]cn2)C2CC2)C1 ZINC001415856235 1005625093 /nfs/dbraw/zinc/62/50/93/1005625093.db2.gz RNVORPVQMWJOMG-GFCCVEGCSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCN(C(=O)Cc2c[nH]cn2)C2CC2)C1 ZINC001415856235 1005625095 /nfs/dbraw/zinc/62/50/95/1005625095.db2.gz RNVORPVQMWJOMG-GFCCVEGCSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001417136202 1005791483 /nfs/dbraw/zinc/79/14/83/1005791483.db2.gz BVZQFVHDBUIAJM-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001417136202 1005791485 /nfs/dbraw/zinc/79/14/85/1005791485.db2.gz BVZQFVHDBUIAJM-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001417139188 1005791691 /nfs/dbraw/zinc/79/16/91/1005791691.db2.gz XLMIVYUYQYXAQP-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001417139188 1005791692 /nfs/dbraw/zinc/79/16/92/1005791692.db2.gz XLMIVYUYQYXAQP-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001417259636 1005812487 /nfs/dbraw/zinc/81/24/87/1005812487.db2.gz VTMLARNARPDJOT-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001417259636 1005812488 /nfs/dbraw/zinc/81/24/88/1005812488.db2.gz VTMLARNARPDJOT-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001417265716 1005812987 /nfs/dbraw/zinc/81/29/87/1005812987.db2.gz DKVFCTVJNRERJN-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001417265716 1005812989 /nfs/dbraw/zinc/81/29/89/1005812989.db2.gz DKVFCTVJNRERJN-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CNC(=O)[C@H](C)N1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001417960847 1005940786 /nfs/dbraw/zinc/94/07/86/1005940786.db2.gz JTMVIXLGOXNEBH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+][C@H]2CCN(C)C2=O)C2CC2)CCC1 ZINC001417983703 1005947656 /nfs/dbraw/zinc/94/76/56/1005947656.db2.gz HZTWRLAYZFGXTI-KBPBESRZSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001418045438 1005974547 /nfs/dbraw/zinc/97/45/47/1005974547.db2.gz HSQLSFFSNWWZNA-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1)C(N)=O ZINC001418045658 1005975677 /nfs/dbraw/zinc/97/56/77/1005975677.db2.gz WDSWHQRWBANHSM-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1)C(N)=O ZINC001418045658 1005975682 /nfs/dbraw/zinc/97/56/82/1005975682.db2.gz WDSWHQRWBANHSM-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001418049781 1005978937 /nfs/dbraw/zinc/97/89/37/1005978937.db2.gz GNESJDCSUQWVRO-OCCSQVGLSA-N 1 3 310.442 0.184 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001438655821 1005996403 /nfs/dbraw/zinc/99/64/03/1005996403.db2.gz CZGQKPKIEBAQQJ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001438655821 1005996410 /nfs/dbraw/zinc/99/64/10/1005996410.db2.gz CZGQKPKIEBAQQJ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001418109946 1006051320 /nfs/dbraw/zinc/05/13/20/1006051320.db2.gz XERFSYQXQVKAHG-MHEUCROKSA-N 1 3 324.469 0.477 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001418135404 1006090480 /nfs/dbraw/zinc/09/04/80/1006090480.db2.gz FPJNGXINBJJDPW-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001418147952 1006105544 /nfs/dbraw/zinc/10/55/44/1006105544.db2.gz WFPFUYCBQXWXAM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001436700679 1006274505 /nfs/dbraw/zinc/27/45/05/1006274505.db2.gz CPSRUMRSVMFVPE-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001451631701 1006325332 /nfs/dbraw/zinc/32/53/32/1006325332.db2.gz SEOAORXYYAECMN-NSHDSACASA-N 1 3 309.414 0.081 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439129956 1006497500 /nfs/dbraw/zinc/49/75/00/1006497500.db2.gz IQFKQBPDTHOKBH-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439283848 1006655361 /nfs/dbraw/zinc/65/53/61/1006655361.db2.gz VBCNSIHRBOMZKL-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439283848 1006655366 /nfs/dbraw/zinc/65/53/66/1006655366.db2.gz VBCNSIHRBOMZKL-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCCCC1 ZINC001437244899 1006756406 /nfs/dbraw/zinc/75/64/06/1006756406.db2.gz IHVFKDHOGRBUTM-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437289810 1006806209 /nfs/dbraw/zinc/80/62/09/1006806209.db2.gz QNGWNDOLTAJSML-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001439491066 1006919795 /nfs/dbraw/zinc/91/97/95/1006919795.db2.gz SEVUCBVQZGXBTO-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001439491118 1006920363 /nfs/dbraw/zinc/92/03/63/1006920363.db2.gz SEVUCBVQZGXBTO-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCc2ccc(CO)cc2)CC1 ZINC001439641626 1007105352 /nfs/dbraw/zinc/10/53/52/1007105352.db2.gz NGXQVEWDHSUVBX-UHFFFAOYSA-N 1 3 305.422 0.869 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001439782743 1007194616 /nfs/dbraw/zinc/19/46/16/1007194616.db2.gz GFLIHMKMTQOYQA-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001440109922 1007495892 /nfs/dbraw/zinc/49/58/92/1007495892.db2.gz AVSCNHXSFOIEOX-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(CCCF)C2)C1 ZINC001440193775 1007571860 /nfs/dbraw/zinc/57/18/60/1007571860.db2.gz NYEDDULMRWJNND-DZGCQCFKSA-N 1 3 301.406 0.241 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCCN(CCCF)C2)C1 ZINC001440193775 1007571866 /nfs/dbraw/zinc/57/18/66/1007571866.db2.gz NYEDDULMRWJNND-DZGCQCFKSA-N 1 3 301.406 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)NC)C1 ZINC001438003644 1007579756 /nfs/dbraw/zinc/57/97/56/1007579756.db2.gz WAKQPUIUMHOGDE-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)NC)C1 ZINC001438003644 1007579761 /nfs/dbraw/zinc/57/97/61/1007579761.db2.gz WAKQPUIUMHOGDE-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NCC2(NCCF)CCC2)n1 ZINC001440302214 1007651983 /nfs/dbraw/zinc/65/19/83/1007651983.db2.gz ODKFTEFAEBFCCS-UHFFFAOYSA-N 1 3 311.405 0.656 20 0 DCADHO CC[C@H](C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1)OC ZINC001440396491 1007727423 /nfs/dbraw/zinc/72/74/23/1007727423.db2.gz JPMJBTKAALSSSR-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCCNC2=O)C1 ZINC001440464115 1007796012 /nfs/dbraw/zinc/79/60/12/1007796012.db2.gz JSVDQELIGZOULD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCCNC2=O)C1 ZINC001440464115 1007796020 /nfs/dbraw/zinc/79/60/20/1007796020.db2.gz JSVDQELIGZOULD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC1CC1 ZINC001438367924 1007864496 /nfs/dbraw/zinc/86/44/96/1007864496.db2.gz AFWFLDDMEQZBEL-STQMWFEESA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@](C)(C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001438420344 1007896089 /nfs/dbraw/zinc/89/60/89/1007896089.db2.gz JNHSDOXTGMKLGL-SUMWQHHRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@](C)(C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001438426631 1007901665 /nfs/dbraw/zinc/90/16/65/1007901665.db2.gz NKDXXUDEEZXRAC-WMLDXEAASA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001440586751 1007903451 /nfs/dbraw/zinc/90/34/51/1007903451.db2.gz FWGYJSJPJYDCFQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)[C@@H](C)C1 ZINC001440597557 1007911777 /nfs/dbraw/zinc/91/17/77/1007911777.db2.gz ULIJUGKSCOULNI-HOCLYGCPSA-N 1 3 321.469 0.739 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001438597131 1008020457 /nfs/dbraw/zinc/02/04/57/1008020457.db2.gz NRHZZEDBWITCMH-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001438597131 1008020461 /nfs/dbraw/zinc/02/04/61/1008020461.db2.gz NRHZZEDBWITCMH-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001441006355 1008171166 /nfs/dbraw/zinc/17/11/66/1008171166.db2.gz XDVGVZJZKXRPNU-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001441539987 1008396020 /nfs/dbraw/zinc/39/60/20/1008396020.db2.gz JVEKXGGOVBSHKY-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](N[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001441541899 1008397338 /nfs/dbraw/zinc/39/73/38/1008397338.db2.gz RPCQVIGFITZIRZ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@@H]1CCCNC1=O ZINC001441613338 1008425485 /nfs/dbraw/zinc/42/54/85/1008425485.db2.gz GAPIPJSIUMEUDK-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N(C)CC1CC1 ZINC001441657071 1008443887 /nfs/dbraw/zinc/44/38/87/1008443887.db2.gz KJAKUXKOHOTNIX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001441830701 1008530566 /nfs/dbraw/zinc/53/05/66/1008530566.db2.gz SBNWCMLNZVVDNZ-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001441830701 1008530577 /nfs/dbraw/zinc/53/05/77/1008530577.db2.gz SBNWCMLNZVVDNZ-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001441874299 1008609514 /nfs/dbraw/zinc/60/95/14/1008609514.db2.gz PGYHHQKXRVQZIA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001421542487 1008706688 /nfs/dbraw/zinc/70/66/88/1008706688.db2.gz KIRLACUOPVJHKB-SUYBPPKGSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001421542487 1008706701 /nfs/dbraw/zinc/70/67/01/1008706701.db2.gz KIRLACUOPVJHKB-SUYBPPKGSA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@](C)(C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001421583582 1008758251 /nfs/dbraw/zinc/75/82/51/1008758251.db2.gz KEWCYQOYHSAUKX-XJKSGUPXSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001421687217 1008931748 /nfs/dbraw/zinc/93/17/48/1008931748.db2.gz YDAMNXGSQLRFOB-CQSZACIVSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]1OC(=O)N[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001433628559 1009017956 /nfs/dbraw/zinc/01/79/56/1009017956.db2.gz CKMQCKWWTUVFBC-SMDDNHRTSA-N 1 3 324.425 0.158 20 0 DCADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001421755069 1009038310 /nfs/dbraw/zinc/03/83/10/1009038310.db2.gz QVEPUWWJYZSABH-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO Cn1cncc1CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001421805682 1009114115 /nfs/dbraw/zinc/11/41/15/1009114115.db2.gz SNTJZXNTQPLDAL-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001421829470 1009142474 /nfs/dbraw/zinc/14/24/74/1009142474.db2.gz DPIMYWIOGXGWTB-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001421829470 1009142478 /nfs/dbraw/zinc/14/24/78/1009142478.db2.gz DPIMYWIOGXGWTB-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1nnsc1CN[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001442337961 1009194958 /nfs/dbraw/zinc/19/49/58/1009194958.db2.gz LCHDWLIPQBDSGL-PWSUYJOCSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CN[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442337961 1009194962 /nfs/dbraw/zinc/19/49/62/1009194962.db2.gz LCHDWLIPQBDSGL-PWSUYJOCSA-N 1 3 311.455 0.783 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C2CCC2)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001421924104 1009269409 /nfs/dbraw/zinc/26/94/09/1009269409.db2.gz CDFRXNPWHHUZNZ-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O)CC1 ZINC001421964640 1009326534 /nfs/dbraw/zinc/32/65/34/1009326534.db2.gz JEGODYNOHWSZHR-OLZOCXBDSA-N 1 3 312.458 0.417 20 0 DCADHO Cc1nc(CNC[C@H](CC(C)C)NC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001422020645 1009405436 /nfs/dbraw/zinc/40/54/36/1009405436.db2.gz ZMEKENJSEGHTMX-KGLIPLIRSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNC[C@H](CC(C)C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001422020645 1009405450 /nfs/dbraw/zinc/40/54/50/1009405450.db2.gz ZMEKENJSEGHTMX-KGLIPLIRSA-N 1 3 322.457 0.685 20 0 DCADHO CC[N@H+](CCO)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001422212469 1009655489 /nfs/dbraw/zinc/65/54/89/1009655489.db2.gz VNFWYLKJTSANKU-OAHLLOKOSA-N 1 3 311.470 0.881 20 0 DCADHO CC[N@@H+](CCO)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001422212469 1009655500 /nfs/dbraw/zinc/65/55/00/1009655500.db2.gz VNFWYLKJTSANKU-OAHLLOKOSA-N 1 3 311.470 0.881 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001455426514 1009728793 /nfs/dbraw/zinc/72/87/93/1009728793.db2.gz JHDLHQODWJUEIB-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001422281372 1009767657 /nfs/dbraw/zinc/76/76/57/1009767657.db2.gz RHHYSSIGOOYHMV-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001443016189 1010055229 /nfs/dbraw/zinc/05/52/29/1010055229.db2.gz LJWOBJNKZYBCRW-HOTGVXAUSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001443016189 1010055244 /nfs/dbraw/zinc/05/52/44/1010055244.db2.gz LJWOBJNKZYBCRW-HOTGVXAUSA-N 1 3 309.454 0.966 20 0 DCADHO CCn1nncc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001434523987 1010059502 /nfs/dbraw/zinc/05/95/02/1010059502.db2.gz UWZFDCZLSFPMIP-HNNXBMFYSA-N 1 3 306.458 0.898 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001422455935 1010114051 /nfs/dbraw/zinc/11/40/51/1010114051.db2.gz QHIMJHZCWAEQHS-CHWSQXEVSA-N 1 3 300.447 0.334 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001443073513 1010114470 /nfs/dbraw/zinc/11/44/70/1010114470.db2.gz FGTCNPHKGMTGLD-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001443073513 1010114480 /nfs/dbraw/zinc/11/44/80/1010114480.db2.gz FGTCNPHKGMTGLD-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001422507298 1010207704 /nfs/dbraw/zinc/20/77/04/1010207704.db2.gz VXUHGTOSLNVAJM-NFAWXSAZSA-N 1 3 322.457 0.446 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001443362875 1010366472 /nfs/dbraw/zinc/36/64/72/1010366472.db2.gz MTTVJSWUENBVAE-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001443362875 1010366486 /nfs/dbraw/zinc/36/64/86/1010366486.db2.gz MTTVJSWUENBVAE-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1=O ZINC001422601145 1010385544 /nfs/dbraw/zinc/38/55/44/1010385544.db2.gz JLSGONLXZSYIDR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001422847402 1010669238 /nfs/dbraw/zinc/66/92/38/1010669238.db2.gz CGRNWPVICWRHAX-KGLIPLIRSA-N 1 3 315.458 0.162 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001422879212 1010696848 /nfs/dbraw/zinc/69/68/48/1010696848.db2.gz POMDECHVQUZDEC-MELADBBJSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](NC[C@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001422985043 1010789556 /nfs/dbraw/zinc/78/95/56/1010789556.db2.gz PEGPNRWFQVFIOB-IUODEOHRSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccnn1C ZINC001443989684 1010792259 /nfs/dbraw/zinc/79/22/59/1010792259.db2.gz UQEDNOQUEYIILU-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](CNCc1ccnn1C)C1CC1)[NH+](C)C ZINC001423027580 1010819557 /nfs/dbraw/zinc/81/95/57/1010819557.db2.gz NVGABOYPLBDSMP-HZPDHXFCSA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCCC1)N(C)C ZINC001444074382 1010839838 /nfs/dbraw/zinc/83/98/38/1010839838.db2.gz UZXJIEFIIVMDRG-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCCNC1=O ZINC001423099166 1010887385 /nfs/dbraw/zinc/88/73/85/1010887385.db2.gz PZLVDWDTNKFVRC-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001444248659 1010922942 /nfs/dbraw/zinc/92/29/42/1010922942.db2.gz KOPSQWZINGRKMY-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001444695025 1011134722 /nfs/dbraw/zinc/13/47/22/1011134722.db2.gz CGGCSWCSRFKLDZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001444695025 1011134724 /nfs/dbraw/zinc/13/47/24/1011134724.db2.gz CGGCSWCSRFKLDZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001444709126 1011141480 /nfs/dbraw/zinc/14/14/80/1011141480.db2.gz NCDGFLVTODPHKS-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444710969 1011142773 /nfs/dbraw/zinc/14/27/73/1011142773.db2.gz QFAANQWSFUBDBF-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444710969 1011142780 /nfs/dbraw/zinc/14/27/80/1011142780.db2.gz QFAANQWSFUBDBF-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H](C)C1 ZINC001444788173 1011172868 /nfs/dbraw/zinc/17/28/68/1011172868.db2.gz MHZKBGCNSWZYAY-ZFWWWQNUSA-N 1 3 322.457 0.482 20 0 DCADHO CC[C@H](C)NC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001423477576 1011176334 /nfs/dbraw/zinc/17/63/34/1011176334.db2.gz LJURAQBOLDVGKS-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)(C)[C@H](CNCC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001423602791 1011335094 /nfs/dbraw/zinc/33/50/94/1011335094.db2.gz VSUAYHUSVHFQKO-LBPRGKRZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001423631591 1011366852 /nfs/dbraw/zinc/36/68/52/1011366852.db2.gz BPOWUGUCALJCIK-DOTOQJQBSA-N 1 3 311.470 0.927 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445061408 1011367103 /nfs/dbraw/zinc/36/71/03/1011367103.db2.gz LWGKJVKYWXNKMG-HNNXBMFYSA-N 1 3 321.469 0.695 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445061408 1011367116 /nfs/dbraw/zinc/36/71/16/1011367116.db2.gz LWGKJVKYWXNKMG-HNNXBMFYSA-N 1 3 321.469 0.695 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001423639279 1011377144 /nfs/dbraw/zinc/37/71/44/1011377144.db2.gz TUMAILQMOSAHII-NVXWUHKLSA-N 1 3 319.453 0.843 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001423648889 1011386818 /nfs/dbraw/zinc/38/68/18/1011386818.db2.gz VWCRGTXDQVTZRR-PBHICJAKSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001423648861 1011388957 /nfs/dbraw/zinc/38/89/57/1011388957.db2.gz UZWSHHARVFWDOE-RHSMWYFYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001445386167 1011715725 /nfs/dbraw/zinc/71/57/25/1011715725.db2.gz AFYUFXIKQJRNGZ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001445405162 1011736036 /nfs/dbraw/zinc/73/60/36/1011736036.db2.gz YGPSSTAUAQVGFC-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001445405162 1011736048 /nfs/dbraw/zinc/73/60/48/1011736048.db2.gz YGPSSTAUAQVGFC-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001432036013 1011892031 /nfs/dbraw/zinc/89/20/31/1011892031.db2.gz MBUZMOVCEJJLRC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001432036013 1011892048 /nfs/dbraw/zinc/89/20/48/1011892048.db2.gz MBUZMOVCEJJLRC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COc1cc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)on1 ZINC001424064540 1011939675 /nfs/dbraw/zinc/93/96/75/1011939675.db2.gz NXXZCVYKTITBQU-STQMWFEESA-N 1 3 324.425 0.819 20 0 DCADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553425025 1011964783 /nfs/dbraw/zinc/96/47/83/1011964783.db2.gz REWGOXBYZFDPKO-UGUYLWEFSA-N 1 3 317.389 0.805 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC001553437940 1011974861 /nfs/dbraw/zinc/97/48/61/1011974861.db2.gz DSUXJYKBCKZZIT-CABCVRRESA-N 1 3 324.469 0.738 20 0 DCADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553493907 1012027435 /nfs/dbraw/zinc/02/74/35/1012027435.db2.gz ATGLNCGBSKUHBQ-GZNJTBKBSA-N 1 3 322.453 0.510 20 0 DCADHO CC1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[NH2+]CC1 ZINC001553495937 1012030055 /nfs/dbraw/zinc/03/00/55/1012030055.db2.gz JSHMUHYUKQNHKI-GJZGRUSLSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553513629 1012059501 /nfs/dbraw/zinc/05/95/01/1012059501.db2.gz ZELWASOBWKASJV-RRFJBIMHSA-N 1 3 322.453 0.369 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+](CC)CC ZINC001432347179 1012352222 /nfs/dbraw/zinc/35/22/22/1012352222.db2.gz CMEMTCAWOZLXRJ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1NCCc2ccccc21 ZINC001548557663 1012480795 /nfs/dbraw/zinc/48/07/95/1012480795.db2.gz JRALFIYFJVESIR-DOTOQJQBSA-N 1 3 303.406 0.494 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@@H](CC)C1 ZINC001446000953 1012508132 /nfs/dbraw/zinc/50/81/32/1012508132.db2.gz AXBNMMHAVTUCFL-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001458987732 1012512032 /nfs/dbraw/zinc/51/20/32/1012512032.db2.gz JJFIQVGWRNCOGH-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC2CC2)[C@@H](C)C1 ZINC001424479804 1012557181 /nfs/dbraw/zinc/55/71/81/1012557181.db2.gz ZTCZANBZBHPODI-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC2CC2)[C@@H](C)C1 ZINC001424479804 1012557200 /nfs/dbraw/zinc/55/72/00/1012557200.db2.gz ZTCZANBZBHPODI-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCNC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001548549728 1012698679 /nfs/dbraw/zinc/69/86/79/1012698679.db2.gz KVUQBGGAERCDPP-KRWDZBQOSA-N 1 3 316.449 0.802 20 0 DCADHO O=C([C@H]1CNCc2ccccc21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574525 1012746141 /nfs/dbraw/zinc/74/61/41/1012746141.db2.gz FIHBEVWRTQSQFD-ZBFHGGJFSA-N 1 3 303.406 0.446 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001432694619 1012779416 /nfs/dbraw/zinc/77/94/16/1012779416.db2.gz IUGUAFHOZUEOGL-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001432694619 1012779430 /nfs/dbraw/zinc/77/94/30/1012779430.db2.gz IUGUAFHOZUEOGL-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@H](N2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001446565564 1012839726 /nfs/dbraw/zinc/83/97/26/1012839726.db2.gz ROKJIMUXABFCMA-YOEHRIQHSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001506897616 1017650941 /nfs/dbraw/zinc/65/09/41/1017650941.db2.gz RNPGTOPLLKQRAJ-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](CC)C(N)=O)CC1 ZINC001499243374 1017772237 /nfs/dbraw/zinc/77/22/37/1017772237.db2.gz FMRWOOLQVQVEKH-OLZOCXBDSA-N 1 3 310.442 0.363 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](CC)C(N)=O)CC1 ZINC001499243374 1017772249 /nfs/dbraw/zinc/77/22/49/1017772249.db2.gz FMRWOOLQVQVEKH-OLZOCXBDSA-N 1 3 310.442 0.363 20 0 DCADHO C[N@@H+]1C[C@H](C(=O)NC[C@H](O)CNCCF)[C@@H](c2ccccc2)C1 ZINC001497058051 1017793469 /nfs/dbraw/zinc/79/34/69/1017793469.db2.gz RXLXSMLEIRTBAK-OAGGEKHMSA-N 1 3 323.412 0.368 20 0 DCADHO C[N@H+]1C[C@H](C(=O)NC[C@H](O)CNCCF)[C@@H](c2ccccc2)C1 ZINC001497058051 1017793480 /nfs/dbraw/zinc/79/34/80/1017793480.db2.gz RXLXSMLEIRTBAK-OAGGEKHMSA-N 1 3 323.412 0.368 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H]1CCCNC1=O ZINC001479851158 1017887746 /nfs/dbraw/zinc/88/77/46/1017887746.db2.gz RALZPGCFSSUREX-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H]1CCCNC1=O ZINC001479851158 1017887764 /nfs/dbraw/zinc/88/77/64/1017887764.db2.gz RALZPGCFSSUREX-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCC1 ZINC001499857055 1018105828 /nfs/dbraw/zinc/10/58/28/1018105828.db2.gz HSWYQNNIKRZZOP-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O ZINC001499883390 1018119291 /nfs/dbraw/zinc/11/92/91/1018119291.db2.gz VPYMTSKHOOSNQD-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CCCCN2C)C1=O ZINC001497654253 1018307186 /nfs/dbraw/zinc/30/71/86/1018307186.db2.gz ILRAEWIGRXTEOJ-WFVIONGDSA-N 1 3 322.453 0.354 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C/CNCc2ccc(CO)cc2)C1 ZINC001497751117 1018388817 /nfs/dbraw/zinc/38/88/17/1018388817.db2.gz XMNPYTLKZSGGQR-RCAFFNEUSA-N 1 3 317.433 0.893 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C/CNCc2ccc(CO)cc2)C1 ZINC001497751117 1018388827 /nfs/dbraw/zinc/38/88/27/1018388827.db2.gz XMNPYTLKZSGGQR-RCAFFNEUSA-N 1 3 317.433 0.893 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001480352232 1018458682 /nfs/dbraw/zinc/45/86/82/1018458682.db2.gz UMRKDPALTXPPKW-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001480352232 1018458687 /nfs/dbraw/zinc/45/86/87/1018458687.db2.gz UMRKDPALTXPPKW-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497889422 1018498410 /nfs/dbraw/zinc/49/84/10/1018498410.db2.gz GWJZEVIIZMBFET-RDBSUJKOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497889422 1018498422 /nfs/dbraw/zinc/49/84/22/1018498422.db2.gz GWJZEVIIZMBFET-RDBSUJKOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001497992176 1018567101 /nfs/dbraw/zinc/56/71/01/1018567101.db2.gz BODXZSXKOLJZQM-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001495614736 1018600901 /nfs/dbraw/zinc/60/09/01/1018600901.db2.gz ZDSAEHIKAGHGSJ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001480537877 1018637416 /nfs/dbraw/zinc/63/74/16/1018637416.db2.gz QYUUZOXPECUNLO-CHWSQXEVSA-N 1 3 322.457 0.331 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cnnn1C ZINC001495684560 1018647172 /nfs/dbraw/zinc/64/71/72/1018647172.db2.gz NHXUWYSVKNJETD-GFCCVEGCSA-N 1 3 308.430 0.141 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001501150166 1018924115 /nfs/dbraw/zinc/92/41/15/1018924115.db2.gz MSUJJVHIUMTBKN-KGLIPLIRSA-N 1 3 322.457 0.341 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCC(C)(C)C1 ZINC001496058492 1019022175 /nfs/dbraw/zinc/02/21/75/1019022175.db2.gz SNFQSCDNAUYXON-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCC(C)(C)C1 ZINC001496058492 1019022192 /nfs/dbraw/zinc/02/21/92/1019022192.db2.gz SNFQSCDNAUYXON-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498424023 1019106431 /nfs/dbraw/zinc/10/64/31/1019106431.db2.gz AFNIVRMXLPGVSI-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498424023 1019106436 /nfs/dbraw/zinc/10/64/36/1019106436.db2.gz AFNIVRMXLPGVSI-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+]Cc2cccnc2)C1 ZINC001501492776 1019240210 /nfs/dbraw/zinc/24/02/10/1019240210.db2.gz LFXVMCPKILSQEN-OAHLLOKOSA-N 1 3 320.437 0.334 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001493257455 1019258616 /nfs/dbraw/zinc/25/86/16/1019258616.db2.gz UBXHCAYOPPIIST-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001493257455 1019258620 /nfs/dbraw/zinc/25/86/20/1019258620.db2.gz UBXHCAYOPPIIST-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001498614106 1019269311 /nfs/dbraw/zinc/26/93/11/1019269311.db2.gz WMAYPDNFBQMISA-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001496474567 1019337228 /nfs/dbraw/zinc/33/72/28/1019337228.db2.gz FWSXDGNULQEYJF-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(=O)NC)C(C)C)CC[N@@H+]1C ZINC001496562555 1019415980 /nfs/dbraw/zinc/41/59/80/1019415980.db2.gz RQIGCXHEAXFHMT-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(=O)NC)C(C)C)CC[N@H+]1C ZINC001496562555 1019415986 /nfs/dbraw/zinc/41/59/86/1019415986.db2.gz RQIGCXHEAXFHMT-BFHYXJOUSA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCOC(C)C)C1)N(C)C ZINC001502088078 1019703378 /nfs/dbraw/zinc/70/33/78/1019703378.db2.gz VYQSLSJJLRNDID-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001502101515 1019722259 /nfs/dbraw/zinc/72/22/59/1019722259.db2.gz CVMGVFPGQXXMMI-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@H](O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001493902384 1019804826 /nfs/dbraw/zinc/80/48/26/1019804826.db2.gz BSBYMKUFCHAMOJ-GOEBONIOSA-N 1 3 317.433 0.910 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001494092651 1019978637 /nfs/dbraw/zinc/97/86/37/1019978637.db2.gz VVLDGJNXJUOMRL-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(C2CCCC2)CC1 ZINC000333697145 295672768 /nfs/dbraw/zinc/67/27/68/295672768.db2.gz QIGQAQFJYCCLMO-HNNXBMFYSA-N 1 3 310.442 0.635 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)CCN2CCN(CC)CC2)CC1 ZINC000237000317 202116204 /nfs/dbraw/zinc/11/62/04/202116204.db2.gz RBKRFAHYYVHKPA-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@@H](CN)c2ccccc2)CCOCC1 ZINC000178791759 198932158 /nfs/dbraw/zinc/93/21/58/198932158.db2.gz SEPRZVMBYBDHSR-HNNXBMFYSA-N 1 3 305.422 0.956 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000566008037 291263962 /nfs/dbraw/zinc/26/39/62/291263962.db2.gz FQDJADZNLANAGR-MJBXVCDLSA-N 1 3 300.447 0.912 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000410473466 239283376 /nfs/dbraw/zinc/28/33/76/239283376.db2.gz UZCCCJLKMGFDHD-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[NH+]1CCN(CCNC(=O)c2conc2C(C)(C)N)CC1 ZINC000566471934 291306084 /nfs/dbraw/zinc/30/60/84/291306084.db2.gz VBAJNEDCEHUJSR-UHFFFAOYSA-N 1 3 309.414 0.236 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000566689006 291318958 /nfs/dbraw/zinc/31/89/58/291318958.db2.gz HXYHGTFMJOBPGI-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420326815 240023792 /nfs/dbraw/zinc/02/37/92/240023792.db2.gz XVAJOWJQRUXROT-OJLVUWQFSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420326815 240023800 /nfs/dbraw/zinc/02/38/00/240023800.db2.gz XVAJOWJQRUXROT-OJLVUWQFSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420326815 240023804 /nfs/dbraw/zinc/02/38/04/240023804.db2.gz XVAJOWJQRUXROT-OJLVUWQFSA-N 1 3 305.422 0.503 20 0 DCADHO N[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)C1 ZINC000567179887 291341664 /nfs/dbraw/zinc/34/16/64/291341664.db2.gz XQARNZRFMPOZJP-HOTGVXAUSA-N 1 3 318.469 0.848 20 0 DCADHO CCN1CCN(CCCCNC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000479732959 241074746 /nfs/dbraw/zinc/07/47/46/241074746.db2.gz YOQNPUZUSYLARS-HNNXBMFYSA-N 1 3 313.490 0.653 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccncc1OCCN(C)C ZINC000567822088 291380917 /nfs/dbraw/zinc/38/09/17/291380917.db2.gz WYEXMVNNOIWAHY-QWHCGFSZSA-N 1 3 323.441 0.947 20 0 DCADHO COC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000567873967 291386823 /nfs/dbraw/zinc/38/68/23/291386823.db2.gz DTOCGKDZTOGPMC-IAGOWNOFSA-N 1 3 308.422 0.740 20 0 DCADHO COC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000567873967 291386825 /nfs/dbraw/zinc/38/68/25/291386825.db2.gz DTOCGKDZTOGPMC-IAGOWNOFSA-N 1 3 308.422 0.740 20 0 DCADHO [NH3+][C@H]1CCC[C@H](NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000568248748 291416951 /nfs/dbraw/zinc/41/69/51/291416951.db2.gz ZGNAHPXISGDECA-HOTGVXAUSA-N 1 3 308.470 0.790 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCN(CC)CCO)C1 ZINC000185391356 261120462 /nfs/dbraw/zinc/12/04/62/261120462.db2.gz MPBSCLDVXVBAGR-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCN(CC)CCO)C1 ZINC000185391356 261120464 /nfs/dbraw/zinc/12/04/64/261120464.db2.gz MPBSCLDVXVBAGR-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO Cn1ncc2c1ncnc2N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000569582618 291485896 /nfs/dbraw/zinc/48/58/96/291485896.db2.gz WZWKMWKBFIWNJE-ZDUSSCGKSA-N 1 3 315.425 0.485 20 0 DCADHO CSCC[C@H]([NH3+])CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001646740722 1172503054 /nfs/dbraw/zinc/50/30/54/1172503054.db2.gz QFTJKNQFJGLHGX-AVGNSLFASA-N 1 3 301.456 0.436 20 0 DCADHO CSCC[C@H]([NH3+])CC(=O)N(C)CCCN1CCN(C)CC1 ZINC001646751349 1172510296 /nfs/dbraw/zinc/51/02/96/1172510296.db2.gz IJQCDVHDKFDKLI-AWEZNQCLSA-N 1 3 316.515 0.553 20 0 DCADHO Cc1sc(CN)nc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001646842198 1172559865 /nfs/dbraw/zinc/55/98/65/1172559865.db2.gz NWVWYODGJCLMPA-ONGXEEELSA-N 1 3 311.455 0.274 20 0 DCADHO Cc1sc(CN)nc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001646842198 1172559869 /nfs/dbraw/zinc/55/98/69/1172559869.db2.gz NWVWYODGJCLMPA-ONGXEEELSA-N 1 3 311.455 0.274 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000339583420 253108123 /nfs/dbraw/zinc/10/81/23/253108123.db2.gz VXJDRZBPAVYXCE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000339583420 253108125 /nfs/dbraw/zinc/10/81/25/253108125.db2.gz VXJDRZBPAVYXCE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000339581160 253108604 /nfs/dbraw/zinc/10/86/04/253108604.db2.gz MFYDGMUPIALGPF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[NH+](CCNC(=O)C(=O)NC1CCN(C)CC1)C(C)C ZINC000339613203 253113788 /nfs/dbraw/zinc/11/37/88/253113788.db2.gz MDUHHYOTVUIJDM-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000339633606 253117391 /nfs/dbraw/zinc/11/73/91/253117391.db2.gz SBOKXCXVRPQLDG-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)N(C)C1CC1 ZINC000339647013 253121557 /nfs/dbraw/zinc/12/15/57/253121557.db2.gz FZNFXARRRJAUGA-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000346527043 254063146 /nfs/dbraw/zinc/06/31/46/254063146.db2.gz JVDLGPFDBRMUSC-YUELXQCFSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000346527043 254063147 /nfs/dbraw/zinc/06/31/47/254063147.db2.gz JVDLGPFDBRMUSC-YUELXQCFSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)n1cncn1 ZINC000348223823 254228136 /nfs/dbraw/zinc/22/81/36/254228136.db2.gz MIMPDBJKRSQKCG-GJZGRUSLSA-N 1 3 322.457 0.714 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)n1cncn1 ZINC000348223823 254228138 /nfs/dbraw/zinc/22/81/38/254228138.db2.gz MIMPDBJKRSQKCG-GJZGRUSLSA-N 1 3 322.457 0.714 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)C1=CC[N@H+](C)CC1 ZINC000348760932 254253457 /nfs/dbraw/zinc/25/34/57/254253457.db2.gz HUWYFVBTMWHICE-ZDUSSCGKSA-N 1 3 322.453 0.306 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000348760932 254253459 /nfs/dbraw/zinc/25/34/59/254253459.db2.gz HUWYFVBTMWHICE-ZDUSSCGKSA-N 1 3 322.453 0.306 20 0 DCADHO CSC1(C[NH2+]CCCCN2CCN(CCO)CC2)CC1 ZINC000348004380 254211432 /nfs/dbraw/zinc/21/14/32/254211432.db2.gz LHWWNHOCTALDBU-UHFFFAOYSA-N 1 3 301.500 0.862 20 0 DCADHO CC(C)(C)CCN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351554240 254346490 /nfs/dbraw/zinc/34/64/90/254346490.db2.gz CPMLVDAFLBPVQS-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000351863934 254376374 /nfs/dbraw/zinc/37/63/74/254376374.db2.gz VVJATGFEDKUHFV-AAEUAGOBSA-N 1 3 304.394 0.783 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000353636107 285321631 /nfs/dbraw/zinc/32/16/31/285321631.db2.gz FYUAXFDUAWHIAW-CABCVRRESA-N 1 3 313.490 0.509 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000417546591 262255332 /nfs/dbraw/zinc/25/53/32/262255332.db2.gz MNYCBYDSAHDTJJ-LBPRGKRZSA-N 1 3 300.447 0.912 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000048616441 395820369 /nfs/dbraw/zinc/82/03/69/395820369.db2.gz MISSSKLWUKJFEG-UHFFFAOYSA-N 1 3 306.410 0.755 20 0 DCADHO CCN(CCO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758429 395854232 /nfs/dbraw/zinc/85/42/32/395854232.db2.gz SCDIGTIMPGZGLA-UHFFFAOYSA-N 1 3 312.458 0.569 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236754447 395897964 /nfs/dbraw/zinc/89/79/64/395897964.db2.gz FINUSNVKJIANMJ-ZDUSSCGKSA-N 1 3 322.457 0.909 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237822165 395919371 /nfs/dbraw/zinc/91/93/71/395919371.db2.gz DCUPRTBUUILGOE-MRXNPFEDSA-N 1 3 305.422 0.913 20 0 DCADHO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCNCC1 ZINC000261637842 396051575 /nfs/dbraw/zinc/05/15/75/396051575.db2.gz IGJTXAHMMQXIKU-KGLIPLIRSA-N 1 3 303.472 0.732 20 0 DCADHO C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCNCC1 ZINC000261637842 396051580 /nfs/dbraw/zinc/05/15/80/396051580.db2.gz IGJTXAHMMQXIKU-KGLIPLIRSA-N 1 3 303.472 0.732 20 0 DCADHO CN(C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]CC1 ZINC000261637842 396051581 /nfs/dbraw/zinc/05/15/81/396051581.db2.gz IGJTXAHMMQXIKU-KGLIPLIRSA-N 1 3 303.472 0.732 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1C[NH+](C)C ZINC000261646919 396052582 /nfs/dbraw/zinc/05/25/82/396052582.db2.gz FKXJEIHXIOLXMM-INIZCTEOSA-N 1 3 320.437 0.464 20 0 DCADHO C[C@@H]1CN(CC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000261783917 396065649 /nfs/dbraw/zinc/06/56/49/396065649.db2.gz FPTUUHLITZQURU-CYBMUJFWSA-N 1 3 315.425 0.634 20 0 DCADHO CN1CCN(CCCNC(=O)CC[NH3+])[C@@H](c2ccccc2)C1 ZINC000262157255 396104798 /nfs/dbraw/zinc/10/47/98/396104798.db2.gz OPSADICGPNOPFK-MRXNPFEDSA-N 1 3 304.438 0.830 20 0 DCADHO C[NH2+]CCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000262345012 396127970 /nfs/dbraw/zinc/12/79/70/396127970.db2.gz IJDQYCSEEDMTPG-UHFFFAOYSA-N 1 3 304.438 0.660 20 0 DCADHO C[NH2+]CC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000263227084 396206763 /nfs/dbraw/zinc/20/67/63/396206763.db2.gz AYTONVACNLLRSL-UHFFFAOYSA-N 1 3 320.437 0.495 20 0 DCADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCN(C)C ZINC000176078684 396148980 /nfs/dbraw/zinc/14/89/80/396148980.db2.gz WKCKEEKKXODDTJ-UHFFFAOYSA-N 1 3 306.410 0.673 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000263266764 396210425 /nfs/dbraw/zinc/21/04/25/396210425.db2.gz VLHJNJDBQRSHHY-YDHLFZDLSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000263266764 396210428 /nfs/dbraw/zinc/21/04/28/396210428.db2.gz VLHJNJDBQRSHHY-YDHLFZDLSA-N 1 3 312.458 0.323 20 0 DCADHO CC[NH+]1CCN(CCNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000262623610 396163657 /nfs/dbraw/zinc/16/36/57/396163657.db2.gz ARKBPYHTFPDJMW-MRXNPFEDSA-N 1 3 304.438 0.310 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262782668 396181593 /nfs/dbraw/zinc/18/15/93/396181593.db2.gz NMFYGFXVSNXIOO-UONOGXRCSA-N 1 3 305.426 0.974 20 0 DCADHO CN(CCNC(=O)C1CCN(CC[NH3+])CC1)Cc1ccccc1 ZINC000263084496 396200453 /nfs/dbraw/zinc/20/04/53/396200453.db2.gz XUHWBDDMBGIAEQ-UHFFFAOYSA-N 1 3 318.465 0.905 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)c2n[nH]c3c2CNCC3)n1 ZINC000188749952 396385972 /nfs/dbraw/zinc/38/59/72/396385972.db2.gz QRCMCMCDVZKQSJ-UHFFFAOYSA-N 1 3 303.370 0.066 20 0 DCADHO C[NH+](C)CCOc1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1 ZINC000269232187 396397753 /nfs/dbraw/zinc/39/77/53/396397753.db2.gz JKLLCBPBVBFLGW-MRXNPFEDSA-N 1 3 321.421 0.622 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000269276429 396403148 /nfs/dbraw/zinc/40/31/48/396403148.db2.gz XCDBSGWVYUILPK-HNNXBMFYSA-N 1 3 305.422 0.895 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000372423155 396516647 /nfs/dbraw/zinc/51/66/47/396516647.db2.gz VWVCUCVHTKYFBV-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000372916170 396554163 /nfs/dbraw/zinc/55/41/63/396554163.db2.gz GLKWTLYDOKHHNT-QCEMKRCNSA-N 1 3 303.406 0.488 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NCCN(C)CCCOC)CC1 ZINC000562294712 396655490 /nfs/dbraw/zinc/65/54/90/396655490.db2.gz ZHCBAPJDNYXSAI-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@H](C)O1 ZINC000375257510 396722541 /nfs/dbraw/zinc/72/25/41/396722541.db2.gz YPEQPTVFZILVFF-QSJFSLAZSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1COCCN(CCOCC[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000374369251 396659376 /nfs/dbraw/zinc/65/93/76/396659376.db2.gz YGGFJVFNUJUGLV-HOTGVXAUSA-N 1 3 300.443 0.940 20 0 DCADHO C[C@@H]1COCCN(CCOCC[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000374369251 396659377 /nfs/dbraw/zinc/65/93/77/396659377.db2.gz YGGFJVFNUJUGLV-HOTGVXAUSA-N 1 3 300.443 0.940 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000563647302 396765276 /nfs/dbraw/zinc/76/52/76/396765276.db2.gz KFJHAEGUXHHTKE-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1CC[NH+](C2CC2)CC1 ZINC000375758779 396813985 /nfs/dbraw/zinc/81/39/85/396813985.db2.gz WCAYHYMMLNBAKU-JKSUJKDBSA-N 1 3 307.438 0.840 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332688081 396889431 /nfs/dbraw/zinc/88/94/31/396889431.db2.gz SUONQSODARHVLL-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CCOC(=O)CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000591272173 396892119 /nfs/dbraw/zinc/89/21/19/396892119.db2.gz NGPAYIVIHWEMEL-CYBMUJFWSA-N 1 3 311.426 0.601 20 0 DCADHO CCOC(=O)CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000591272173 396892122 /nfs/dbraw/zinc/89/21/22/396892122.db2.gz NGPAYIVIHWEMEL-CYBMUJFWSA-N 1 3 311.426 0.601 20 0 DCADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN(C)C1CCC1 ZINC000629955688 396894076 /nfs/dbraw/zinc/89/40/76/396894076.db2.gz JVJQFSOZHQPHHX-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CN(C)C1CCC1 ZINC000629955688 396894084 /nfs/dbraw/zinc/89/40/84/396894084.db2.gz JVJQFSOZHQPHHX-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000600999741 396986705 /nfs/dbraw/zinc/98/67/05/396986705.db2.gz FXSVRJXCCJUPSN-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO COCCN1CCC([NH2+][C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000349376603 397070662 /nfs/dbraw/zinc/07/06/62/397070662.db2.gz GEQQCXRGFCENLE-INIZCTEOSA-N 1 3 312.502 0.713 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000612552065 397093209 /nfs/dbraw/zinc/09/32/09/397093209.db2.gz SQFLNCTZYJMGOU-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000612552065 397093214 /nfs/dbraw/zinc/09/32/14/397093214.db2.gz SQFLNCTZYJMGOU-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000572361630 397051613 /nfs/dbraw/zinc/05/16/13/397051613.db2.gz VEVNKWIQRURVFB-WCQYABFASA-N 1 3 306.414 0.230 20 0 DCADHO COCC[C@H]([NH3+])Cc1cn(CCCN2CCSCC2)nn1 ZINC000630589373 397055144 /nfs/dbraw/zinc/05/51/44/397055144.db2.gz GUQYDHDCHMCNQZ-ZDUSSCGKSA-N 1 3 313.471 0.623 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000592219271 397134801 /nfs/dbraw/zinc/13/48/01/397134801.db2.gz HJGCRIPKNRBQGH-GJZGRUSLSA-N 1 3 308.470 0.611 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612777398 397137410 /nfs/dbraw/zinc/13/74/10/397137410.db2.gz WFQYLBHNHCIPDG-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612885888 397156028 /nfs/dbraw/zinc/15/60/28/397156028.db2.gz JRUZPXNJSLFACO-HOCLYGCPSA-N 1 3 311.474 0.311 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612981395 397170511 /nfs/dbraw/zinc/17/05/11/397170511.db2.gz BVSNEQHMNVOYMV-HUUCEWRRSA-N 1 3 323.485 0.454 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000573986943 397226331 /nfs/dbraw/zinc/22/63/31/397226331.db2.gz JBUOLHYFSSBBPZ-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000574217225 397247012 /nfs/dbraw/zinc/24/70/12/397247012.db2.gz POSBCTOGFDPTJD-UHFFFAOYSA-N 1 3 323.441 0.285 20 0 DCADHO O=C([C@H]1CCCN1C1CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478676 397277581 /nfs/dbraw/zinc/27/75/81/397277581.db2.gz FHCBSWVZMNDQJQ-JKSUJKDBSA-N 1 3 307.438 0.671 20 0 DCADHO O=C([C@H]1CCCN1C1CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620478676 397277587 /nfs/dbraw/zinc/27/75/87/397277587.db2.gz FHCBSWVZMNDQJQ-JKSUJKDBSA-N 1 3 307.438 0.671 20 0 DCADHO O=C(NC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000574744105 397296593 /nfs/dbraw/zinc/29/65/93/397296593.db2.gz AUOGQLYLCZEUFF-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592957277 397302635 /nfs/dbraw/zinc/30/26/35/397302635.db2.gz MULULOBJNLHMKC-CHWSQXEVSA-N 1 3 305.426 0.791 20 0 DCADHO C[C@H](CNC(=O)NCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000577269147 397317264 /nfs/dbraw/zinc/31/72/64/397317264.db2.gz BDVSKPNKGVMDKS-OAHLLOKOSA-N 1 3 311.474 0.311 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592964389 397306446 /nfs/dbraw/zinc/30/64/46/397306446.db2.gz ISBSSDHPGGGSBX-STQMWFEESA-N 1 3 305.426 0.791 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419781522 397383345 /nfs/dbraw/zinc/38/33/45/397383345.db2.gz SGXOUVQAOZDMRY-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419783318 397383389 /nfs/dbraw/zinc/38/33/89/397383389.db2.gz VHJMNMFFYDVWAW-AWEZNQCLSA-N 1 3 322.453 0.259 20 0 DCADHO CN(C)CCN(C(=O)c1cn(CCC[NH3+])nn1)C1CCCC1 ZINC000578063708 397383604 /nfs/dbraw/zinc/38/36/04/397383604.db2.gz YDARPXSHQQDRRR-UHFFFAOYSA-N 1 3 308.430 0.573 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423127717 397393823 /nfs/dbraw/zinc/39/38/23/397393823.db2.gz JXVCVVBMUBQVFH-AWEZNQCLSA-N 1 3 312.458 0.372 20 0 DCADHO CCN1CCN(CCCNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621647925 397408913 /nfs/dbraw/zinc/40/89/13/397408913.db2.gz QDFDXKACMHMIJF-INIZCTEOSA-N 1 3 310.486 0.910 20 0 DCADHO C[S@@](=O)C1(C(=O)NCCCN2CCCC2)CC[NH2+]CC1 ZINC000602467102 397410426 /nfs/dbraw/zinc/41/04/26/397410426.db2.gz JWXLCVUAEZPAMW-HXUWFJFHSA-N 1 3 301.456 0.089 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@H]23)C[C@@H](C)O1 ZINC000578618522 397460390 /nfs/dbraw/zinc/46/03/90/397460390.db2.gz CYTBDSQWQNYUSS-WRQOLXDDSA-N 1 3 311.470 0.673 20 0 DCADHO COc1cnccc1N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000487599219 397476334 /nfs/dbraw/zinc/47/63/34/397476334.db2.gz OZOQCYOHLXYDEG-KBPBESRZSA-N 1 3 318.421 0.937 20 0 DCADHO COc1cnccc1N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487599219 397476338 /nfs/dbraw/zinc/47/63/38/397476338.db2.gz OZOQCYOHLXYDEG-KBPBESRZSA-N 1 3 318.421 0.937 20 0 DCADHO COCC1(CNC(=O)C2CCN(C3CC3)CC2)CC[NH2+]CC1 ZINC000579110330 397524166 /nfs/dbraw/zinc/52/41/66/397524166.db2.gz FFYARAVAWAXTFH-UHFFFAOYSA-N 1 3 309.454 0.993 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nncn1C ZINC000607224781 397698745 /nfs/dbraw/zinc/69/87/45/397698745.db2.gz LQROPOAMNLLESG-GFCCVEGCSA-N 1 3 311.434 0.011 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000119070515 158182598 /nfs/dbraw/zinc/18/25/98/158182598.db2.gz OABWSGIVVLFSHA-CQSZACIVSA-N 1 3 312.458 0.372 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000120643271 158202685 /nfs/dbraw/zinc/20/26/85/158202685.db2.gz XLWNCUNXWFAQFS-MRXNPFEDSA-N 1 3 308.470 0.711 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000120643271 158202691 /nfs/dbraw/zinc/20/26/91/158202691.db2.gz XLWNCUNXWFAQFS-MRXNPFEDSA-N 1 3 308.470 0.711 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)[C@@H](N)Cc2ccccc2)n1 ZINC000166728439 158367411 /nfs/dbraw/zinc/36/74/11/158367411.db2.gz HFFUEJJNIWRJMQ-AWEZNQCLSA-N 1 3 301.394 0.953 20 0 DCADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cnn(C)c1 ZINC000168892174 158371772 /nfs/dbraw/zinc/37/17/72/158371772.db2.gz KTHRJUMOCMEHJI-KRWDZBQOSA-N 1 3 323.485 0.851 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000316702254 159002855 /nfs/dbraw/zinc/00/28/55/159002855.db2.gz IWNCTTMCIUZULK-HRCADAONSA-N 1 3 303.406 0.536 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000316702254 159002856 /nfs/dbraw/zinc/00/28/56/159002856.db2.gz IWNCTTMCIUZULK-HRCADAONSA-N 1 3 303.406 0.536 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000359272390 159260456 /nfs/dbraw/zinc/26/04/56/159260456.db2.gz AMAUGTFNOXLPAY-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000359272390 159260458 /nfs/dbraw/zinc/26/04/58/159260458.db2.gz AMAUGTFNOXLPAY-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1nccs1 ZINC000077801923 286921602 /nfs/dbraw/zinc/92/16/02/286921602.db2.gz HVSOEHOVKLXJJD-UHFFFAOYSA-N 1 3 313.471 0.820 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cn2cccn2)[C@@H](C)C1 ZINC000248941550 287103877 /nfs/dbraw/zinc/10/38/77/287103877.db2.gz CSGJOJKJQHYUGR-ULQDDVLXSA-N 1 3 324.469 0.971 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cn2cccn2)[C@@H](C)C1 ZINC000248941550 287103878 /nfs/dbraw/zinc/10/38/78/287103878.db2.gz CSGJOJKJQHYUGR-ULQDDVLXSA-N 1 3 324.469 0.971 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249065307 287106018 /nfs/dbraw/zinc/10/60/18/287106018.db2.gz ZHJAECMXJPJDEC-CABCVRRESA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249065307 287106023 /nfs/dbraw/zinc/10/60/23/287106023.db2.gz ZHJAECMXJPJDEC-CABCVRRESA-N 1 3 314.474 0.720 20 0 DCADHO C[C@H](NC(=O)N(CC[NH3+])CCO)[C@H](c1ccccc1)N(C)C ZINC000418185603 287241959 /nfs/dbraw/zinc/24/19/59/287241959.db2.gz RALKHNYDJKDDHB-DZGCQCFKSA-N 1 3 308.426 0.640 20 0 DCADHO C[C@]1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCC[NH2+]C1 ZINC000418536093 287250001 /nfs/dbraw/zinc/25/00/01/287250001.db2.gz IGJIZSCAJDKRTQ-HOCLYGCPSA-N 1 3 312.458 0.522 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])N(C)Cc1ccccc1 ZINC000418945749 287255909 /nfs/dbraw/zinc/25/59/09/287255909.db2.gz LVMRABXQDZUUGD-UONOGXRCSA-N 1 3 320.437 0.334 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419022653 287262411 /nfs/dbraw/zinc/26/24/11/287262411.db2.gz IKCDGPCXFHYCGG-XJFOESAGSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCC[NH3+] ZINC000419020851 287261496 /nfs/dbraw/zinc/26/14/96/287261496.db2.gz GFBJKQXWUOCSIJ-MGPQQGTHSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419044754 287263839 /nfs/dbraw/zinc/26/38/39/287263839.db2.gz LUKCDTVTNFQOHJ-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CN(C)[C@H](CNC(=O)CNCC1([NH3+])CCC1)c1ccccc1 ZINC000420310386 287289192 /nfs/dbraw/zinc/28/91/92/287289192.db2.gz PSVGDOFSOVKBJT-OAHLLOKOSA-N 1 3 304.438 0.877 20 0 DCADHO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)NC1CCN(C2CC2)CC1 ZINC000420391574 287296044 /nfs/dbraw/zinc/29/60/44/287296044.db2.gz IOOUPWSRVREONW-GASCZTMLSA-N 1 3 306.454 0.556 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000331594837 415142443 /nfs/dbraw/zinc/14/24/43/415142443.db2.gz HBUHOGBEHKVJJO-BPLDGKMQSA-N 1 3 322.453 0.315 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000342691278 415258368 /nfs/dbraw/zinc/25/83/68/415258368.db2.gz CFPMZLVQWVBQRV-MCIONIFRSA-N 1 3 313.442 0.751 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000332194750 415289054 /nfs/dbraw/zinc/28/90/54/415289054.db2.gz BSKVSYKNBRKPHF-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422914277 287303815 /nfs/dbraw/zinc/30/38/15/287303815.db2.gz SOPLLRQWMBRCDB-JYJNAYRXSA-N 1 3 324.469 0.027 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332448692 415402327 /nfs/dbraw/zinc/40/23/27/415402327.db2.gz KZIRIAOIWLXRRJ-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332448692 415402329 /nfs/dbraw/zinc/40/23/29/415402329.db2.gz KZIRIAOIWLXRRJ-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000343089902 415440249 /nfs/dbraw/zinc/44/02/49/415440249.db2.gz FQTNLRPSKYQVGD-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000343089902 415440260 /nfs/dbraw/zinc/44/02/60/415440260.db2.gz FQTNLRPSKYQVGD-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN(C)C2CC2)CC1 ZINC000353123627 415446613 /nfs/dbraw/zinc/44/66/13/415446613.db2.gz AHOCXKJPNOILDR-UHFFFAOYSA-N 1 3 312.458 0.615 20 0 DCADHO Cc1nccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000077783546 415460257 /nfs/dbraw/zinc/46/02/57/415460257.db2.gz PWTAMHDHKZAYFO-UHFFFAOYSA-N 1 3 308.430 0.420 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343294073 415536744 /nfs/dbraw/zinc/53/67/44/415536744.db2.gz ITYLZWSLKRCRTD-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343294073 415536751 /nfs/dbraw/zinc/53/67/51/415536751.db2.gz ITYLZWSLKRCRTD-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343316287 415553860 /nfs/dbraw/zinc/55/38/60/415553860.db2.gz ZDWNGYKTPZVQMM-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343316287 415553870 /nfs/dbraw/zinc/55/38/70/415553870.db2.gz ZDWNGYKTPZVQMM-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[C@@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353669975 415621530 /nfs/dbraw/zinc/62/15/30/415621530.db2.gz XQYVMUIMTAVODC-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333414796 415641393 /nfs/dbraw/zinc/64/13/93/415641393.db2.gz RSEXMDOBRWQJKD-HZPDHXFCSA-N 1 3 323.485 0.550 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000353554544 415591775 /nfs/dbraw/zinc/59/17/75/415591775.db2.gz XFTGTSJEQREFQW-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000353554544 415591781 /nfs/dbraw/zinc/59/17/81/415591781.db2.gz XFTGTSJEQREFQW-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[NH+]1CCC(NC(=O)NCCN(C)CCOC)CC1 ZINC000107329685 415662345 /nfs/dbraw/zinc/66/23/45/415662345.db2.gz YEHZICSCSBEOSM-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000343873952 415760277 /nfs/dbraw/zinc/76/02/77/415760277.db2.gz NIHNKFFBGIJCGT-VHDGCEQUSA-N 1 3 323.437 0.742 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000343873952 415760286 /nfs/dbraw/zinc/76/02/86/415760286.db2.gz NIHNKFFBGIJCGT-VHDGCEQUSA-N 1 3 323.437 0.742 20 0 DCADHO CN(C[C@@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336863052 415846414 /nfs/dbraw/zinc/84/64/14/415846414.db2.gz HQVZPUHNMOQCRZ-DOTOQJQBSA-N 1 3 311.470 0.486 20 0 DCADHO CN(C[C@@H](O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336863052 415846422 /nfs/dbraw/zinc/84/64/22/415846422.db2.gz HQVZPUHNMOQCRZ-DOTOQJQBSA-N 1 3 311.470 0.486 20 0 DCADHO C[N@H+](C[C@@H](O)CN1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336863052 415846426 /nfs/dbraw/zinc/84/64/26/415846426.db2.gz HQVZPUHNMOQCRZ-DOTOQJQBSA-N 1 3 311.470 0.486 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336863052 415846432 /nfs/dbraw/zinc/84/64/32/415846432.db2.gz HQVZPUHNMOQCRZ-DOTOQJQBSA-N 1 3 311.470 0.486 20 0 DCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000121983787 415824058 /nfs/dbraw/zinc/82/40/58/415824058.db2.gz IGUAOTQDZWLEPR-BFHYXJOUSA-N 1 3 324.469 0.467 20 0 DCADHO CCNC(=O)NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344029579 415825409 /nfs/dbraw/zinc/82/54/09/415825409.db2.gz NLHMSEYBPJWWPP-CYBMUJFWSA-N 1 3 315.462 0.036 20 0 DCADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)C1 ZINC000356247759 415890693 /nfs/dbraw/zinc/89/06/93/415890693.db2.gz XYDUUGUKKUDLQY-RDJZCZTQSA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)C1 ZINC000356247759 415890695 /nfs/dbraw/zinc/89/06/95/415890695.db2.gz XYDUUGUKKUDLQY-RDJZCZTQSA-N 1 3 306.454 0.321 20 0 DCADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128049575 415896638 /nfs/dbraw/zinc/89/66/38/415896638.db2.gz UPGJJMHKRXIKBD-WCVJEAGWSA-N 1 3 310.486 0.892 20 0 DCADHO CC[C@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CCC[NH2+]1 ZINC000296241587 415916698 /nfs/dbraw/zinc/91/66/98/415916698.db2.gz CPIVBLBKMOVDCJ-MRXNPFEDSA-N 1 3 303.410 0.962 20 0 DCADHO CSCC[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000133147600 415941743 /nfs/dbraw/zinc/94/17/43/415941743.db2.gz UAWVXOCIBRGRIM-TZMCWYRMSA-N 1 3 317.499 0.618 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCCC1=O ZINC000337589883 415981670 /nfs/dbraw/zinc/98/16/70/415981670.db2.gz WCVFFJYBUHENAQ-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCCC1=O ZINC000337589883 415981672 /nfs/dbraw/zinc/98/16/72/415981672.db2.gz WCVFFJYBUHENAQ-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)CC1 ZINC000345010998 416026739 /nfs/dbraw/zinc/02/67/39/416026739.db2.gz HAUXHMPNYMQKNT-IAGOWNOFSA-N 1 3 320.481 0.567 20 0 DCADHO CN(CCOCC[NH3+])CCN1CCN(c2ccccc2)CC1 ZINC000357073124 416030905 /nfs/dbraw/zinc/03/09/05/416030905.db2.gz DJINWEGTUXBWJQ-UHFFFAOYSA-N 1 3 306.454 0.716 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357845449 416141782 /nfs/dbraw/zinc/14/17/82/416141782.db2.gz DAPTXIZPDSEVEI-AWEZNQCLSA-N 1 3 312.458 0.904 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357845449 416141788 /nfs/dbraw/zinc/14/17/88/416141788.db2.gz DAPTXIZPDSEVEI-AWEZNQCLSA-N 1 3 312.458 0.904 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000346529792 416197817 /nfs/dbraw/zinc/19/78/17/416197817.db2.gz BQPQTBDBANOCJR-IUODEOHRSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000346529792 416197824 /nfs/dbraw/zinc/19/78/24/416197824.db2.gz BQPQTBDBANOCJR-IUODEOHRSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000346529792 416197828 /nfs/dbraw/zinc/19/78/28/416197828.db2.gz BQPQTBDBANOCJR-IUODEOHRSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@@H]1CN(CCOCC[N@@H+]2C[C@H](O)[C@H](CC)C2)C[C@@H]1O ZINC000341003520 416199447 /nfs/dbraw/zinc/19/94/47/416199447.db2.gz GHVNDJFSRIJGKZ-WCVJEAGWSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1CN(CCOCC[N@H+]2C[C@H](O)[C@H](CC)C2)C[C@@H]1O ZINC000341003520 416199450 /nfs/dbraw/zinc/19/94/50/416199450.db2.gz GHVNDJFSRIJGKZ-WCVJEAGWSA-N 1 3 300.443 0.408 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000339633060 416161044 /nfs/dbraw/zinc/16/10/44/416161044.db2.gz ZCSOJUMAJDQEBN-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC3(C2)CC[NH2+]CC3)C1 ZINC000358503417 416244705 /nfs/dbraw/zinc/24/47/05/416244705.db2.gz GCRZHBOUFPZECZ-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N(C)C1CC1 ZINC000342063241 416277621 /nfs/dbraw/zinc/27/76/21/416277621.db2.gz NTGBGYAGYNNSNC-VNHYZAJKSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N(C)C1CC1 ZINC000342063241 416277623 /nfs/dbraw/zinc/27/76/23/416277623.db2.gz NTGBGYAGYNNSNC-VNHYZAJKSA-N 1 3 324.469 0.384 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000331408831 416309591 /nfs/dbraw/zinc/30/95/91/416309591.db2.gz BSJANQRKQAHFKL-XQLPTFJDSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415603722 416348996 /nfs/dbraw/zinc/34/89/96/416348996.db2.gz UKNPCUYXXXCMDR-CYBMUJFWSA-N 1 3 318.421 0.727 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000415626741 416350051 /nfs/dbraw/zinc/35/00/51/416350051.db2.gz VCFPPAZFOZRZPV-CQSZACIVSA-N 1 3 318.421 0.945 20 0 DCADHO CCCC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000236740496 416328315 /nfs/dbraw/zinc/32/83/15/416328315.db2.gz MYEQVWOHCXKYPE-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)CN1CCN(C)CC1 ZINC000237555964 416328704 /nfs/dbraw/zinc/32/87/04/416328704.db2.gz YZYJBPUSLFFTNJ-KBPBESRZSA-N 1 3 314.499 0.081 20 0 DCADHO CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000360109830 416370948 /nfs/dbraw/zinc/37/09/48/416370948.db2.gz JKPMQIMDQWVHHC-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+]CCNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417151959 416382250 /nfs/dbraw/zinc/38/22/50/416382250.db2.gz LWDMXBWMAVHLPY-UHFFFAOYSA-N 1 3 319.453 0.847 20 0 DCADHO CCC[NH2+]CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000418486864 416387427 /nfs/dbraw/zinc/38/74/27/416387427.db2.gz GXHPXZFUWDYLMK-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662244 416388512 /nfs/dbraw/zinc/38/85/12/416388512.db2.gz SOVJDAHCOSLTGN-OWCLPIDISA-N 1 3 324.469 0.521 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H]1CN ZINC000418990416 416395574 /nfs/dbraw/zinc/39/55/74/416395574.db2.gz VRWPCCZKFSSZFD-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H]1CN ZINC000418990416 416395576 /nfs/dbraw/zinc/39/55/76/416395576.db2.gz VRWPCCZKFSSZFD-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@@H](C)CN)c1 ZINC000419274432 416398134 /nfs/dbraw/zinc/39/81/34/416398134.db2.gz YCYXNSPNIFYREA-ZDUSSCGKSA-N 1 3 320.437 0.608 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419414623 416401217 /nfs/dbraw/zinc/40/12/17/416401217.db2.gz UASNGQPZQOJVGF-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000419415997 416401425 /nfs/dbraw/zinc/40/14/25/416401425.db2.gz VPQFFUZEYZEVAB-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419525640 416403761 /nfs/dbraw/zinc/40/37/61/416403761.db2.gz RWQWWMYWZCDSPR-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N1CCCNCC1)[NH+]1CCCCC1 ZINC000419715131 416405252 /nfs/dbraw/zinc/40/52/52/416405252.db2.gz PADWEGSWUTVUJN-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000419729245 416406987 /nfs/dbraw/zinc/40/69/87/416406987.db2.gz HMMUFQPXLXUNCJ-UHFFFAOYSA-N 1 3 318.421 0.364 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419772484 416410446 /nfs/dbraw/zinc/41/04/46/416410446.db2.gz HXTWPHQWMFLWHR-ZDUSSCGKSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419772498 416410468 /nfs/dbraw/zinc/41/04/68/416410468.db2.gz IBXQLEYKTJOWNC-LBPRGKRZSA-N 1 3 310.442 0.221 20 0 DCADHO COCCCN(C)CCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458453626 416470369 /nfs/dbraw/zinc/47/03/69/416470369.db2.gz YWIIKABMRQIBEW-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO COCCCN(C)CCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458453626 416470375 /nfs/dbraw/zinc/47/03/75/416470375.db2.gz YWIIKABMRQIBEW-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000423156218 416470825 /nfs/dbraw/zinc/47/08/25/416470825.db2.gz KNVPNKAZDWPRAE-BPLDGKMQSA-N 1 3 313.467 0.862 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000423165939 416472725 /nfs/dbraw/zinc/47/27/25/416472725.db2.gz BVTMPVSWLCBUJF-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423171903 416473067 /nfs/dbraw/zinc/47/30/67/416473067.db2.gz QLUCCNXYQKZXBD-ZIAGYGMSSA-N 1 3 308.426 0.023 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000423243440 416480188 /nfs/dbraw/zinc/48/01/88/416480188.db2.gz WMFAWFXTXFXELO-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H](CC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CC[NH2+]CC1 ZINC000361717741 416483916 /nfs/dbraw/zinc/48/39/16/416483916.db2.gz HTJMAQWRHSKTFZ-KBMXLJTQSA-N 1 3 309.454 0.992 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC000361111811 416421562 /nfs/dbraw/zinc/42/15/62/416421562.db2.gz SJKZNXWIWOZGMT-CVEARBPZSA-N 1 3 308.470 0.518 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000422270420 416424018 /nfs/dbraw/zinc/42/40/18/416424018.db2.gz OLKIIPJKOVBUMK-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000422291071 416424774 /nfs/dbraw/zinc/42/47/74/416424774.db2.gz FTCZKMDLNCCJFH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000422291071 416424776 /nfs/dbraw/zinc/42/47/76/416424776.db2.gz FTCZKMDLNCCJFH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1CCOC1 ZINC000361483064 416440820 /nfs/dbraw/zinc/44/08/20/416440820.db2.gz BVHHIQNJTOCUMM-IAGOWNOFSA-N 1 3 313.486 0.781 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000536532969 416542352 /nfs/dbraw/zinc/54/23/52/416542352.db2.gz MEYPUWXPURNQBN-KRWDZBQOSA-N 1 3 320.481 0.853 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)[C@H]1CN ZINC000423728375 416551789 /nfs/dbraw/zinc/55/17/89/416551789.db2.gz JOAHBROGEWZQDZ-HIFRSBDPSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423379741 416501588 /nfs/dbraw/zinc/50/15/88/416501588.db2.gz NCBCLJPBXHDJDZ-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](CNC(=O)N1CCN(C)C[C@@H]1CN)C[NH+]1CCCCC1 ZINC000584161734 416503396 /nfs/dbraw/zinc/50/33/96/416503396.db2.gz SPDZLBHHKCJQMR-CABCVRRESA-N 1 3 311.474 0.393 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000423409707 416505320 /nfs/dbraw/zinc/50/53/20/416505320.db2.gz ZAYBBQTXCQORGP-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)CC1 ZINC000364853478 416593474 /nfs/dbraw/zinc/59/34/74/416593474.db2.gz YXRYDXKQDUMWQO-HZPDHXFCSA-N 1 3 308.470 0.755 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)C[C@H]1c1ccccc1F ZINC000424023702 416605898 /nfs/dbraw/zinc/60/58/98/416605898.db2.gz BNUVJMJQQFFYHL-DUVNUKRYSA-N 1 3 321.396 0.847 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000514797704 416677039 /nfs/dbraw/zinc/67/70/39/416677039.db2.gz YHAYXKGNFPOXJF-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229125 416628858 /nfs/dbraw/zinc/62/88/58/416628858.db2.gz WFTBWIGJPZBPPH-MYZSUADSSA-N 1 3 305.426 0.546 20 0 DCADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424226536 416630027 /nfs/dbraw/zinc/63/00/27/416630027.db2.gz OTWIYZNGXFIZMK-BFHYXJOUSA-N 1 3 307.442 0.697 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000424448701 416647032 /nfs/dbraw/zinc/64/70/32/416647032.db2.gz PQLFXPZBBYRSMJ-HIFRSBDPSA-N 1 3 316.405 0.555 20 0 DCADHO CC(=O)Nc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000543953829 416649498 /nfs/dbraw/zinc/64/94/98/416649498.db2.gz MMJODHIYEHLDLU-UHFFFAOYSA-N 1 3 321.425 0.605 20 0 DCADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[NH+]1CCC(C)CC1 ZINC000545177904 416665689 /nfs/dbraw/zinc/66/56/89/416665689.db2.gz LWTRIXBWJJHXLZ-GOEBONIOSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)N1CCC(C)CC1 ZINC000631813377 416749500 /nfs/dbraw/zinc/74/95/00/416749500.db2.gz TVORNZXFYHXGII-AWEZNQCLSA-N 1 3 305.488 0.978 20 0 DCADHO CC1([NH+]2CCCC2)CCN(CCC(=O)N2CCNCC2)CC1 ZINC000631836910 416755500 /nfs/dbraw/zinc/75/55/00/416755500.db2.gz JFPBWFBGTDDYQE-UHFFFAOYSA-N 1 3 308.470 0.759 20 0 DCADHO CC(CC(=O)NC[C@@H](C)N(C)C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000443952848 416792201 /nfs/dbraw/zinc/79/22/01/416792201.db2.gz YSBOTAAHTHDOPM-ZIAGYGMSSA-N 1 3 314.474 0.535 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369583749 416801331 /nfs/dbraw/zinc/80/13/31/416801331.db2.gz VHUYHHJZKMIPSB-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369583749 416801340 /nfs/dbraw/zinc/80/13/40/416801340.db2.gz VHUYHHJZKMIPSB-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000631940805 416817214 /nfs/dbraw/zinc/81/72/14/416817214.db2.gz HBKHTUXUZPRWOQ-KBPBESRZSA-N 1 3 303.472 0.589 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623635346 416861845 /nfs/dbraw/zinc/86/18/45/416861845.db2.gz DVHVCTLFNAPJRW-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623635346 416861849 /nfs/dbraw/zinc/86/18/49/416861849.db2.gz DVHVCTLFNAPJRW-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO CN(C)CCCS(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000632010008 416865050 /nfs/dbraw/zinc/86/50/50/416865050.db2.gz LFWBHYORMZSTQE-CQSZACIVSA-N 1 3 321.487 0.094 20 0 DCADHO CN(C)CCCS(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000632010008 416865060 /nfs/dbraw/zinc/86/50/60/416865060.db2.gz LFWBHYORMZSTQE-CQSZACIVSA-N 1 3 321.487 0.094 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000518945925 416883586 /nfs/dbraw/zinc/88/35/86/416883586.db2.gz MPGPQWIIKISHMR-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO Nc1nc(N)nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000623937348 416922502 /nfs/dbraw/zinc/92/25/02/416922502.db2.gz CADBNOXEYRSSCO-ZDUSSCGKSA-N 1 3 313.409 0.095 20 0 DCADHO Nc1nc(N)nc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000623937348 416922511 /nfs/dbraw/zinc/92/25/11/416922511.db2.gz CADBNOXEYRSSCO-ZDUSSCGKSA-N 1 3 313.409 0.095 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000565122123 416926475 /nfs/dbraw/zinc/92/64/75/416926475.db2.gz FIAXPWIBNGUDBF-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000641565509 416927737 /nfs/dbraw/zinc/92/77/37/416927737.db2.gz BHPOWZNJOGFMCN-CABCVRRESA-N 1 3 311.474 0.406 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4C[C@@]4(O)C3)CC2)CC1 ZINC000641585003 416933692 /nfs/dbraw/zinc/93/36/92/416933692.db2.gz YJQCECDWIBVTAA-CRAIPNDOSA-N 1 3 321.465 0.776 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000519780064 416937669 /nfs/dbraw/zinc/93/76/69/416937669.db2.gz VJXQOCNHKZAJPW-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376048841 417017920 /nfs/dbraw/zinc/01/79/20/417017920.db2.gz VFKLPRZBDKAYTA-UHFFFAOYSA-N 1 3 320.441 1.366 20 0 DCADHO COCCN(C)CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000376329162 417028460 /nfs/dbraw/zinc/02/84/60/417028460.db2.gz YVOGHRAPAZYWSA-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642119478 417029936 /nfs/dbraw/zinc/02/99/36/417029936.db2.gz TZIBWSCLOBKIPR-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637078985 416976781 /nfs/dbraw/zinc/97/67/81/416976781.db2.gz QJBJNNYAHLZULX-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026519 417099432 /nfs/dbraw/zinc/09/94/32/417099432.db2.gz FSBMNEGVHTXSKJ-KGLIPLIRSA-N 1 3 322.453 0.174 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390735789 417099751 /nfs/dbraw/zinc/09/97/51/417099751.db2.gz IBTURCBRUJSYMQ-KRWDZBQOSA-N 1 3 316.449 0.672 20 0 DCADHO CNC(=O)c1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430613740 417050006 /nfs/dbraw/zinc/05/00/06/417050006.db2.gz WNXBONJQCDFHDY-HNNXBMFYSA-N 1 3 318.421 0.333 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642431200 417052752 /nfs/dbraw/zinc/05/27/52/417052752.db2.gz TWPMLJZJUPXWLR-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000642439539 417053285 /nfs/dbraw/zinc/05/32/85/417053285.db2.gz LFIOSFXEVMARTH-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000637257795 417053821 /nfs/dbraw/zinc/05/38/21/417053821.db2.gz AKNFZSYIQBBYDJ-KFWWJZLASA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000637257795 417053827 /nfs/dbraw/zinc/05/38/27/417053827.db2.gz AKNFZSYIQBBYDJ-KFWWJZLASA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000637257801 417054279 /nfs/dbraw/zinc/05/42/79/417054279.db2.gz AKNFZSYIQBBYDJ-ZNMIVQPWSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000637257801 417054290 /nfs/dbraw/zinc/05/42/90/417054290.db2.gz AKNFZSYIQBBYDJ-ZNMIVQPWSA-N 1 3 310.442 0.369 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000642439959 417054660 /nfs/dbraw/zinc/05/46/60/417054660.db2.gz UAGKTQFCFSKTEV-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000642439913 417056567 /nfs/dbraw/zinc/05/65/67/417056567.db2.gz ROLRHLPFDHQDCD-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[C@@H]1C[NH3+] ZINC000642785811 417102926 /nfs/dbraw/zinc/10/29/26/417102926.db2.gz MBAPDPAPBUMWBD-VHDGCEQUSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC[NH2+]C1CC1 ZINC000637317831 417069499 /nfs/dbraw/zinc/06/94/99/417069499.db2.gz RSNYIACTYXKJHN-ZDUSSCGKSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642732151 417084173 /nfs/dbraw/zinc/08/41/73/417084173.db2.gz HROQBSIBDXTNNG-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]([NH3+])C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000430926783 417084315 /nfs/dbraw/zinc/08/43/15/417084315.db2.gz HHMAMFQEWNTAKM-GFCCVEGCSA-N 1 3 308.426 0.910 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000642733835 417084901 /nfs/dbraw/zinc/08/49/01/417084901.db2.gz PALSEBTYJSWPNA-HIFRSBDPSA-N 1 3 318.421 0.403 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000430937309 417085556 /nfs/dbraw/zinc/08/55/56/417085556.db2.gz AUWVDVRGBNNSRG-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COCC[NH3+] ZINC000398119628 417107643 /nfs/dbraw/zinc/10/76/43/417107643.db2.gz GQOUBWRKBOWDHL-ZBFHGGJFSA-N 1 3 305.422 0.989 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000642895847 417111709 /nfs/dbraw/zinc/11/17/09/417111709.db2.gz ODHKQOZQDIHHEN-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000449126379 417125056 /nfs/dbraw/zinc/12/50/56/417125056.db2.gz UVXQRGGVSZWMFZ-ZDUSSCGKSA-N 1 3 313.442 0.766 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000568292193 417119677 /nfs/dbraw/zinc/11/96/77/417119677.db2.gz HAKXHKZTOHFZQO-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642920118 417125347 /nfs/dbraw/zinc/12/53/47/417125347.db2.gz ZCXKZOWVADLCAX-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)N(C)CCOCC[NH3+])N1CCC[C@H](C)C1 ZINC000626934562 417176609 /nfs/dbraw/zinc/17/66/09/417176609.db2.gz IIHFQBLUMQDJOG-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000432523698 417186695 /nfs/dbraw/zinc/18/66/95/417186695.db2.gz OQGAGVOVHBZBPQ-QCEMKRCNSA-N 1 3 303.406 0.661 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000411025480 417188064 /nfs/dbraw/zinc/18/80/64/417188064.db2.gz MLVIKYZONCSPSA-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH2+]C1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000637837103 417201656 /nfs/dbraw/zinc/20/16/56/417201656.db2.gz CAICKAMSDDKTSD-INIZCTEOSA-N 1 3 304.438 0.656 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000637848690 417207906 /nfs/dbraw/zinc/20/79/06/417207906.db2.gz UPBBNUMIXGKBFW-LSDHHAIUSA-N 1 3 315.458 0.557 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000643451108 417210585 /nfs/dbraw/zinc/21/05/85/417210585.db2.gz FMWOWKBCEYTGCK-HZPDHXFCSA-N 1 3 318.469 0.576 20 0 DCADHO CN(C)C[C@@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569573767 417267325 /nfs/dbraw/zinc/26/73/25/417267325.db2.gz XBJDIOAZGQTSRC-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000433117987 417230989 /nfs/dbraw/zinc/23/09/89/417230989.db2.gz QLCFJQLLIGDFRI-UHFFFAOYSA-N 1 3 308.470 0.886 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000643571246 417247116 /nfs/dbraw/zinc/24/71/16/417247116.db2.gz ZWYBWMVEXAVRIA-GJZGRUSLSA-N 1 3 322.453 0.271 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433375923 417258807 /nfs/dbraw/zinc/25/88/07/417258807.db2.gz MWCVUMBCVHAMSY-CHWSQXEVSA-N 1 3 306.414 0.369 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000415270672 417351428 /nfs/dbraw/zinc/35/14/28/417351428.db2.gz YIGONWTZWIBBJS-DZGCQCFKSA-N 1 3 316.405 0.507 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000638139417 417353665 /nfs/dbraw/zinc/35/36/65/417353665.db2.gz DIVBDUSZFOJZGP-HZPDHXFCSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000638139417 417353672 /nfs/dbraw/zinc/35/36/72/417353672.db2.gz DIVBDUSZFOJZGP-HZPDHXFCSA-N 1 3 310.486 0.988 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000638168071 417361482 /nfs/dbraw/zinc/36/14/82/417361482.db2.gz BWRPSLGURUOSNW-KRWDZBQOSA-N 1 3 318.465 0.998 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]1 ZINC000414690005 417297478 /nfs/dbraw/zinc/29/74/78/417297478.db2.gz HEKPRDRYHXBEKM-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414842857 417306565 /nfs/dbraw/zinc/30/65/65/417306565.db2.gz NCUNQDBQIZGGPV-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO Cc1nn(-c2ccccn2)c(C)c1CNCCN1CC[NH2+]CC1 ZINC000414887352 417315107 /nfs/dbraw/zinc/31/51/07/417315107.db2.gz QXHHKIDCBWYDHC-UHFFFAOYSA-N 1 3 314.437 0.879 20 0 DCADHO Cc1ccc([C@H](CNC(=O)CN2CC[NH2+]CC2)N(C)C)cc1 ZINC000638077195 417315205 /nfs/dbraw/zinc/31/52/05/417315205.db2.gz YXSCEIAPDADIQI-INIZCTEOSA-N 1 3 304.438 0.619 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843742 417320445 /nfs/dbraw/zinc/32/04/45/417320445.db2.gz KRPNGPRHDNLPBR-KEYYUXOJSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638085435 417321201 /nfs/dbraw/zinc/32/12/01/417321201.db2.gz ZDJPFYDNIHCQPU-WBVHZDCISA-N 1 3 316.449 0.843 20 0 DCADHO CCN1CCN(c2ccccc2CN(C)C[C@H](O)C[NH3+])CC1 ZINC000415071339 417323787 /nfs/dbraw/zinc/32/37/87/417323787.db2.gz SORQAHFXNXOMSE-MRXNPFEDSA-N 1 3 306.454 0.580 20 0 DCADHO CNCc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000415259458 417346768 /nfs/dbraw/zinc/34/67/68/417346768.db2.gz DVCFQVPSUOPHEF-GFCCVEGCSA-N 1 3 306.410 0.658 20 0 DCADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000415249828 417347392 /nfs/dbraw/zinc/34/73/92/417347392.db2.gz GMSSFASXLHMYRT-OSAQELSMSA-N 1 3 316.405 0.807 20 0 DCADHO [NH3+]C[C@@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CCCOC1 ZINC000638242934 417389365 /nfs/dbraw/zinc/38/93/65/417389365.db2.gz VXFCNYLRBLBIKZ-INIZCTEOSA-N 1 3 305.378 0.863 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000570798157 417391807 /nfs/dbraw/zinc/39/18/07/417391807.db2.gz QMYSKFWSFXZJAB-HUUCEWRRSA-N 1 3 309.454 0.585 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638248887 417393147 /nfs/dbraw/zinc/39/31/47/417393147.db2.gz SCFINDZAWSDRKE-SOUVJXGZSA-N 1 3 308.401 0.262 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638248025 417393609 /nfs/dbraw/zinc/39/36/09/417393609.db2.gz RPDPINDJAZOOBP-IXDOHACOSA-N 1 3 316.449 0.656 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638264318 417395908 /nfs/dbraw/zinc/39/59/08/417395908.db2.gz GJFGNQMOXNYITR-AWEZNQCLSA-N 1 3 315.458 0.476 20 0 DCADHO CCN[C@@H](C)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638338937 417424305 /nfs/dbraw/zinc/42/43/05/417424305.db2.gz IQHGEZUWBOVIFT-AWEZNQCLSA-N 1 3 320.437 0.907 20 0 DCADHO CCN[C@H](C)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638338939 417424558 /nfs/dbraw/zinc/42/45/58/417424558.db2.gz IQHGEZUWBOVIFT-CQSZACIVSA-N 1 3 320.437 0.907 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638339478 417428819 /nfs/dbraw/zinc/42/88/19/417428819.db2.gz BFHKCGCMBMFVAQ-HYVNUMGLSA-N 1 3 318.465 0.889 20 0 DCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)C2 ZINC000622027155 417370410 /nfs/dbraw/zinc/37/04/10/417370410.db2.gz YHJWLSWXOCDXJD-KEYYUXOJSA-N 1 3 320.437 0.023 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000638385082 417437411 /nfs/dbraw/zinc/43/74/11/417437411.db2.gz BSGHZSQIFOFFBT-GJZGRUSLSA-N 1 3 311.426 0.077 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529329629 417440513 /nfs/dbraw/zinc/44/05/13/417440513.db2.gz YTEIAOXSPCTWCD-DZGCQCFKSA-N 1 3 312.458 0.737 20 0 DCADHO CN1CCC(N2CCC([NH2+][C@@H]3CCCNC(=O)C3)CC2)CC1 ZINC000638458168 417462899 /nfs/dbraw/zinc/46/28/99/417462899.db2.gz BAXBLFYTKJXTFM-OAHLLOKOSA-N 1 3 308.470 0.803 20 0 DCADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638527793 417483066 /nfs/dbraw/zinc/48/30/66/417483066.db2.gz YNSMGPBRIGPQNF-NWDGAFQWSA-N 1 3 306.410 0.900 20 0 DCADHO COC[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)OC ZINC000634711629 417529868 /nfs/dbraw/zinc/52/98/68/417529868.db2.gz RWADPEJOCONOHD-IRXDYDNUSA-N 1 3 308.422 0.874 20 0 DCADHO COC[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000634711629 417529876 /nfs/dbraw/zinc/52/98/76/417529876.db2.gz RWADPEJOCONOHD-IRXDYDNUSA-N 1 3 308.422 0.874 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000638592883 417498902 /nfs/dbraw/zinc/49/89/02/417498902.db2.gz UHQRBFILJTWESJ-XJKCOSOUSA-N 1 3 313.442 0.213 20 0 DCADHO O=C(CCN1CCN(c2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913839 417583561 /nfs/dbraw/zinc/58/35/61/417583561.db2.gz FHBOKXQTHRXDNG-RDJZCZTQSA-N 1 3 314.433 0.771 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ncnn1C ZINC000530545331 417583726 /nfs/dbraw/zinc/58/37/26/417583726.db2.gz RAAIJZPSYKHSCE-GFCCVEGCSA-N 1 3 311.434 0.011 20 0 DCADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638985397 417595448 /nfs/dbraw/zinc/59/54/48/417595448.db2.gz GEQPMBYEGXGXIM-BBRMVZONSA-N 1 3 319.409 0.197 20 0 DCADHO C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCNCC3)ccn2)CC[NH2+]1 ZINC000638983586 417596228 /nfs/dbraw/zinc/59/62/28/417596228.db2.gz CJCPDHDZXMEERY-STQMWFEESA-N 1 3 303.410 0.818 20 0 DCADHO CO[C@H]1CN[C@@](C)(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638985400 417597245 /nfs/dbraw/zinc/59/72/45/417597245.db2.gz GEQPMBYEGXGXIM-CZUORRHYSA-N 1 3 319.409 0.197 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000644562161 417618167 /nfs/dbraw/zinc/61/81/67/417618167.db2.gz ZUWXJBHJLZLVJX-CHWSQXEVSA-N 1 3 303.472 0.178 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561597 417619013 /nfs/dbraw/zinc/61/90/13/417619013.db2.gz BWCJRBMHNVIZFW-RDJZCZTQSA-N 1 3 313.486 0.778 20 0 DCADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000440250262 287395757 /nfs/dbraw/zinc/39/57/57/287395757.db2.gz ZNMZNSQWDNAMAQ-AWEZNQCLSA-N 1 3 300.447 0.689 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576648757 417627794 /nfs/dbraw/zinc/62/77/94/417627794.db2.gz QJAUYUJODUOVJN-FUHWJXTLSA-N 1 3 317.433 0.691 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576648757 417627800 /nfs/dbraw/zinc/62/78/00/417627800.db2.gz QJAUYUJODUOVJN-FUHWJXTLSA-N 1 3 317.433 0.691 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CCCC(=O)N1 ZINC000644635030 417635274 /nfs/dbraw/zinc/63/52/74/417635274.db2.gz NJAMHUFNDRWCGL-HOTGVXAUSA-N 1 3 305.422 0.738 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CCCC(=O)N1 ZINC000644635030 417635278 /nfs/dbraw/zinc/63/52/78/417635278.db2.gz NJAMHUFNDRWCGL-HOTGVXAUSA-N 1 3 305.422 0.738 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000635570764 417707752 /nfs/dbraw/zinc/70/77/52/417707752.db2.gz LSIHYCVOANZQQA-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000635570764 417707756 /nfs/dbraw/zinc/70/77/56/417707756.db2.gz LSIHYCVOANZQQA-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNC2CC2)CC1 ZINC000580560596 417712814 /nfs/dbraw/zinc/71/28/14/417712814.db2.gz NVOYUTHZEWVLSD-HUUCEWRRSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000645478471 417745805 /nfs/dbraw/zinc/74/58/05/417745805.db2.gz HILRHXKDPUQTJH-DLBZAZTESA-N 1 3 322.497 0.766 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444184186 287417596 /nfs/dbraw/zinc/41/75/96/287417596.db2.gz PAHCLCVQHZIQTB-WMLDXEAASA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000646213141 417807776 /nfs/dbraw/zinc/80/77/76/417807776.db2.gz CKYZQGDIQZEGPB-RRFJBIMHSA-N 1 3 311.474 0.534 20 0 DCADHO CC(C)OC[C@H](N)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000662571056 417808704 /nfs/dbraw/zinc/80/87/04/417808704.db2.gz KNEOTXKIIUOPSG-NRXISQOPSA-N 1 3 312.458 0.071 20 0 DCADHO CC(C)OC[C@H](N)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000662571056 417808710 /nfs/dbraw/zinc/80/87/10/417808710.db2.gz KNEOTXKIIUOPSG-NRXISQOPSA-N 1 3 312.458 0.071 20 0 DCADHO O=C(CNC[C@H]1CCCO1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662595225 417816463 /nfs/dbraw/zinc/81/64/63/417816463.db2.gz YRYPWBPTBWSCOB-JKSUJKDBSA-N 1 3 309.454 0.993 20 0 DCADHO CC(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000662598775 417817659 /nfs/dbraw/zinc/81/76/59/417817659.db2.gz WXKPKBSEHWXFBZ-DGCLKSJQSA-N 1 3 302.440 0.658 20 0 DCADHO [NH3+]CCOCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000645935967 417822277 /nfs/dbraw/zinc/82/22/77/417822277.db2.gz PUBFEQRWYPNTLC-UHFFFAOYSA-N 1 3 321.421 0.235 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000652154838 417854065 /nfs/dbraw/zinc/85/40/65/417854065.db2.gz PTLKVWRHYGYWTK-MRXNPFEDSA-N 1 3 324.469 0.881 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652167528 417854857 /nfs/dbraw/zinc/85/48/57/417854857.db2.gz WOLIBGMPQCBIBU-MYZSUADSSA-N 1 3 310.442 0.474 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000662703308 417860985 /nfs/dbraw/zinc/86/09/85/417860985.db2.gz JNQHOUINJOSQOB-QWHCGFSZSA-N 1 3 306.414 0.244 20 0 DCADHO CN1CCN(CCNC(=O)NCCC2(C[NH3+])CC2)CC1(C)C ZINC000652188304 417861171 /nfs/dbraw/zinc/86/11/71/417861171.db2.gz JAXHLXICYSLPOY-UHFFFAOYSA-N 1 3 311.474 0.441 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712130 417865411 /nfs/dbraw/zinc/86/54/11/417865411.db2.gz RILVADPZFQEREU-DGCLKSJQSA-N 1 3 323.359 0.755 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000652322717 417883791 /nfs/dbraw/zinc/88/37/91/417883791.db2.gz TWCWNEAHIVLYTI-OAHLLOKOSA-N 1 3 312.458 0.522 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)C1 ZINC000662757321 417891268 /nfs/dbraw/zinc/89/12/68/417891268.db2.gz LFPATGXGXUEWOT-HUUCEWRRSA-N 1 3 308.470 0.613 20 0 DCADHO NC1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC2(CCC2)C1 ZINC000662784445 417903931 /nfs/dbraw/zinc/90/39/31/417903931.db2.gz JZGKCNVDFWBXFJ-ZDUSSCGKSA-N 1 3 307.438 0.862 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000652429548 417906457 /nfs/dbraw/zinc/90/64/57/417906457.db2.gz YWHVWGMWCJOVGO-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016767 417976991 /nfs/dbraw/zinc/97/69/91/417976991.db2.gz FPABWKTTWJYSDL-QWHCGFSZSA-N 1 3 320.441 0.120 20 0 DCADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013231 417977875 /nfs/dbraw/zinc/97/78/75/417977875.db2.gz BNEAMMUIIHRRMQ-CHWSQXEVSA-N 1 3 320.441 0.263 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000658501564 417977997 /nfs/dbraw/zinc/97/79/97/417977997.db2.gz UWDAAHSSQKTHCB-HNNXBMFYSA-N 1 3 322.453 0.093 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662837252 417920251 /nfs/dbraw/zinc/92/02/51/417920251.db2.gz HRAYKEFBWOGOGJ-QLFBSQMISA-N 1 3 322.453 0.378 20 0 DCADHO CCN1CCC(NC(=O)Cn2cc(CCCC[NH3+])nn2)CC1 ZINC000640866579 417934671 /nfs/dbraw/zinc/93/46/71/417934671.db2.gz JIHRZNFNUAWBTD-UHFFFAOYSA-N 1 3 308.430 0.160 20 0 DCADHO CCN1CCC(NC(=O)Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000640868018 417937538 /nfs/dbraw/zinc/93/75/38/417937538.db2.gz WLVIFRZJUYSIPC-ZDUSSCGKSA-N 1 3 320.441 0.031 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000652675977 417940655 /nfs/dbraw/zinc/94/06/55/417940655.db2.gz LHUVNCQRPBZVSB-UHFFFAOYSA-N 1 3 322.453 0.235 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000662924910 417953734 /nfs/dbraw/zinc/95/37/34/417953734.db2.gz AIZIBKPZMCWVEJ-AWEZNQCLSA-N 1 3 324.469 0.659 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723794 417957265 /nfs/dbraw/zinc/95/72/65/417957265.db2.gz LUSKBIOCRSLWJT-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CCC[C@@H](N)c1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641005229 417958663 /nfs/dbraw/zinc/95/86/63/417958663.db2.gz VJMBEDWEHHBMMU-CQSZACIVSA-N 1 3 320.441 0.821 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)[C@H]1C[NH3+] ZINC000652732563 417959368 /nfs/dbraw/zinc/95/93/68/417959368.db2.gz NXCROWPCNGNXMA-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734231 417961721 /nfs/dbraw/zinc/96/17/21/417961721.db2.gz BGIBGTVITZXJLO-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653108377 418027746 /nfs/dbraw/zinc/02/77/46/418027746.db2.gz UYDOSBLQQALPCM-HNNXBMFYSA-N 1 3 308.426 0.845 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)CN1CCN(C)CC1 ZINC000653125394 418033511 /nfs/dbraw/zinc/03/35/11/418033511.db2.gz XZCBZFWLJLVMKX-FVQBIDKESA-N 1 3 308.470 0.517 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653125397 418033828 /nfs/dbraw/zinc/03/38/28/418033828.db2.gz YFQMGBIHWKEQHY-CVEARBPZSA-N 1 3 310.486 0.766 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C1 ZINC000653124849 418034214 /nfs/dbraw/zinc/03/42/14/418034214.db2.gz IXJBRSBTRDRFNA-HRCADAONSA-N 1 3 308.470 0.742 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)CN1CCN(C)CC1 ZINC000653125395 418034355 /nfs/dbraw/zinc/03/43/55/418034355.db2.gz XZCBZFWLJLVMKX-KBMXLJTQSA-N 1 3 308.470 0.517 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000659024364 418046181 /nfs/dbraw/zinc/04/61/81/418046181.db2.gz BHEMSCVDYLLQBK-MNOVXSKESA-N 1 3 324.347 0.429 20 0 DCADHO COCCNCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659526318 418111359 /nfs/dbraw/zinc/11/13/59/418111359.db2.gz ATFUFOCVWOLCCD-OAHLLOKOSA-N 1 3 312.458 0.644 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659534560 418113119 /nfs/dbraw/zinc/11/31/19/418113119.db2.gz DPDDEZFKYIUVCP-SNPRPXQTSA-N 1 3 310.442 0.537 20 0 DCADHO O=C(NC[C@H]1CNCCO1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648177362 418115134 /nfs/dbraw/zinc/11/51/34/418115134.db2.gz VMMVJJMFCPSRIK-OAHLLOKOSA-N 1 3 303.406 0.412 20 0 DCADHO CNCc1ccccc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000659095196 418058394 /nfs/dbraw/zinc/05/83/94/418058394.db2.gz ZNTJIPGHISNFIJ-GFCCVEGCSA-N 1 3 306.410 0.801 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000647965767 418080043 /nfs/dbraw/zinc/08/00/43/418080043.db2.gz KYZOVJBHQHHCQI-IXDOHACOSA-N 1 3 313.486 0.873 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000647965767 418080046 /nfs/dbraw/zinc/08/00/46/418080046.db2.gz KYZOVJBHQHHCQI-IXDOHACOSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@H](CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[NH+]1CCCCC1 ZINC000647996445 418085893 /nfs/dbraw/zinc/08/58/93/418085893.db2.gz FEJJJBVFOCJGDH-ILXRZTDVSA-N 1 3 312.458 0.567 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCC[NH+]2CCCCC2)n1 ZINC000659432295 418097300 /nfs/dbraw/zinc/09/73/00/418097300.db2.gz VFDULYPMOBTSBP-UHFFFAOYSA-N 1 3 322.413 0.316 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)CCN1C ZINC000664219891 418099145 /nfs/dbraw/zinc/09/91/45/418099145.db2.gz USBXXKYMIGGBPX-CABCVRRESA-N 1 3 313.490 0.652 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCN1 ZINC000648121690 418101675 /nfs/dbraw/zinc/10/16/75/418101675.db2.gz KSXHSUPQDDSETL-CHWSQXEVSA-N 1 3 306.414 0.273 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659607326 418124195 /nfs/dbraw/zinc/12/41/95/418124195.db2.gz AKNXGTCXQXWHNX-VNQPRFMTSA-N 1 3 322.453 0.776 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000659609035 418125908 /nfs/dbraw/zinc/12/59/08/418125908.db2.gz ICDULRGEEHAWOT-GJZGRUSLSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C)CN1 ZINC000659608086 418125931 /nfs/dbraw/zinc/12/59/31/418125931.db2.gz KFOLRLFOHPZBKK-UMVBOHGHSA-N 1 3 310.442 0.632 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659638068 418135217 /nfs/dbraw/zinc/13/52/17/418135217.db2.gz WNWHWXGGMDSAMU-CZUORRHYSA-N 1 3 320.437 0.660 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCOC1 ZINC000664642695 418142056 /nfs/dbraw/zinc/14/20/56/418142056.db2.gz BUCNCEXYDWBWGP-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCOC1 ZINC000664642695 418142059 /nfs/dbraw/zinc/14/20/59/418142059.db2.gz BUCNCEXYDWBWGP-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659676896 418142736 /nfs/dbraw/zinc/14/27/36/418142736.db2.gz KUZXGVCPXXJNCD-UHFFFAOYSA-N 1 3 322.453 0.174 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000659720324 418161952 /nfs/dbraw/zinc/16/19/52/418161952.db2.gz CBBCYRBPHCTEJQ-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000659723831 418163442 /nfs/dbraw/zinc/16/34/42/418163442.db2.gz LFTUXRIIQSWXEM-CQSZACIVSA-N 1 3 322.453 0.401 20 0 DCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734851 418168845 /nfs/dbraw/zinc/16/88/45/418168845.db2.gz PGDOUADAXLMILF-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649351585 418247147 /nfs/dbraw/zinc/24/71/47/418247147.db2.gz CHKBEKWFHKNVNZ-CQSZACIVSA-N 1 3 303.410 0.770 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000649370203 418248603 /nfs/dbraw/zinc/24/86/03/418248603.db2.gz HREYJVIGVASHGZ-HNNXBMFYSA-N 1 3 308.470 0.805 20 0 DCADHO CCN1CCN(C(=O)CC2CCN(C[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000649412358 418252220 /nfs/dbraw/zinc/25/22/20/418252220.db2.gz CILSMJGWPJDXAU-QGZVFWFLSA-N 1 3 322.497 0.862 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000665271205 418191947 /nfs/dbraw/zinc/19/19/47/418191947.db2.gz JAIZVXPLSOINBY-XGUBFFRZSA-N 1 3 310.442 0.320 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000665271205 418191949 /nfs/dbraw/zinc/19/19/49/418191949.db2.gz JAIZVXPLSOINBY-XGUBFFRZSA-N 1 3 310.442 0.320 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649318742 418235002 /nfs/dbraw/zinc/23/50/02/418235002.db2.gz HBMAXVMKINQFQB-RYUDHWBXSA-N 1 3 305.369 0.458 20 0 DCADHO CC1(OCC(=O)NCC2([NH+]3CCCC3)CCOCC2)CNC1 ZINC000649322848 418236016 /nfs/dbraw/zinc/23/60/16/418236016.db2.gz QOIYFTVVWIBMQV-UHFFFAOYSA-N 1 3 311.426 0.126 20 0 DCADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660838687 418293697 /nfs/dbraw/zinc/29/36/97/418293697.db2.gz YKZWDJYJYIFHRH-LSDHHAIUSA-N 1 3 310.442 0.633 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000655907280 418298954 /nfs/dbraw/zinc/29/89/54/418298954.db2.gz GRSRPXTVGLOVLD-LSDHHAIUSA-N 1 3 304.394 0.689 20 0 DCADHO [NH3+]C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C(F)(F)F ZINC000655925876 418302648 /nfs/dbraw/zinc/30/26/48/418302648.db2.gz GEMFLJXBMUAZPZ-VHSXEESVSA-N 1 3 312.336 0.022 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656020406 418317496 /nfs/dbraw/zinc/31/74/96/418317496.db2.gz RKFBBYLDBHDHHK-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656024612 418319814 /nfs/dbraw/zinc/31/98/14/418319814.db2.gz OCBPYWRFGQKKPQ-KGLIPLIRSA-N 1 3 324.469 0.753 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000656024576 418319898 /nfs/dbraw/zinc/31/98/98/418319898.db2.gz MUQACZSPPSTRBF-YUTCNCBUSA-N 1 3 310.442 0.077 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656025896 418320294 /nfs/dbraw/zinc/32/02/94/418320294.db2.gz VZHKLBVOEHGKGR-RBSFLKMASA-N 1 3 324.469 0.753 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467864 418265814 /nfs/dbraw/zinc/26/58/14/418265814.db2.gz OAYWPIUHRYNNNE-ZMSDIMECSA-N 1 3 309.454 0.945 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000655489372 418268026 /nfs/dbraw/zinc/26/80/26/418268026.db2.gz PGAIMYLJUKTPPR-QFRSUPTLSA-N 1 3 309.454 0.975 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000655493143 418269147 /nfs/dbraw/zinc/26/91/47/418269147.db2.gz CPZWAQVWFGCEDC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516347 418271491 /nfs/dbraw/zinc/27/14/91/418271491.db2.gz SWRJIBXLYYFKEI-FNOROQBZSA-N 1 3 309.332 0.525 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000660664127 418279685 /nfs/dbraw/zinc/27/96/85/418279685.db2.gz QEBIRHRACUXKRA-CABCVRRESA-N 1 3 315.483 0.686 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000660664127 418279688 /nfs/dbraw/zinc/27/96/88/418279688.db2.gz QEBIRHRACUXKRA-CABCVRRESA-N 1 3 315.483 0.686 20 0 DCADHO COCCN1CC[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000650896340 418332513 /nfs/dbraw/zinc/33/25/13/418332513.db2.gz XAZIKDBMVWKKNA-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CN1CCN(CCCCC[N@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000661808893 418363134 /nfs/dbraw/zinc/36/31/34/418363134.db2.gz SGSJFASQIXHOJG-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CN1CCN(CCCCC[N@@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000661808893 418363136 /nfs/dbraw/zinc/36/31/36/418363136.db2.gz SGSJFASQIXHOJG-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC000662306223 418398708 /nfs/dbraw/zinc/39/87/08/418398708.db2.gz PHMHXLIJGDEOBL-BFHRDPOASA-N 1 3 316.449 0.829 20 0 DCADHO C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000662260750 418394035 /nfs/dbraw/zinc/39/40/35/418394035.db2.gz BVPPCISXKKPAQN-JKSUJKDBSA-N 1 3 309.454 0.694 20 0 DCADHO C([C@H]1CCC2(CNC2)O1)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000662260750 418394036 /nfs/dbraw/zinc/39/40/36/418394036.db2.gz BVPPCISXKKPAQN-JKSUJKDBSA-N 1 3 309.454 0.694 20 0 DCADHO CN1CCC[C@H](N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000662265544 418395948 /nfs/dbraw/zinc/39/59/48/418395948.db2.gz QTWHUILZOJMTLP-KKUMJFAQSA-N 1 3 322.453 0.187 20 0 DCADHO O=C1c2ccccc2C(=O)N1CCCNC1(CO)CC[NH2+]CC1 ZINC000662286017 418397136 /nfs/dbraw/zinc/39/71/36/418397136.db2.gz PEEFTKQFGHBPLI-UHFFFAOYSA-N 1 3 317.389 0.377 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662497849 418413000 /nfs/dbraw/zinc/41/30/00/418413000.db2.gz LRBMNKVUCFLYNJ-BXUZGUMPSA-N 1 3 318.425 0.415 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000662305947 418399737 /nfs/dbraw/zinc/39/97/37/418399737.db2.gz LKWMCOJNXZEZLT-TWMKSMIVSA-N 1 3 317.433 0.518 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000662305947 418399739 /nfs/dbraw/zinc/39/97/39/418399739.db2.gz LKWMCOJNXZEZLT-TWMKSMIVSA-N 1 3 317.433 0.518 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000662305947 418399741 /nfs/dbraw/zinc/39/97/41/418399741.db2.gz LKWMCOJNXZEZLT-TWMKSMIVSA-N 1 3 317.433 0.518 20 0 DCADHO CCN(CCO)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000187167226 261123109 /nfs/dbraw/zinc/12/31/09/261123109.db2.gz OJRSQMDAOUYDBC-UHFFFAOYSA-N 1 3 312.458 0.474 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1([NH3+])CCCC1 ZINC000237017259 261156874 /nfs/dbraw/zinc/15/68/74/261156874.db2.gz CTAWYJXSKHXKMZ-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO [NH3+]CC1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC1 ZINC000238042324 261165365 /nfs/dbraw/zinc/16/53/65/261165365.db2.gz JCPPWIDDUXXNRL-UHFFFAOYSA-N 1 3 322.453 0.272 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354665140 261253460 /nfs/dbraw/zinc/25/34/60/261253460.db2.gz FAAHMZPTRJMVCG-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354703611 261262435 /nfs/dbraw/zinc/26/24/35/261262435.db2.gz ZSRPTWHMJXSYNX-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354809017 261273918 /nfs/dbraw/zinc/27/39/18/261273918.db2.gz UBCUFGXLWBMOPU-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354809017 261273919 /nfs/dbraw/zinc/27/39/19/261273919.db2.gz UBCUFGXLWBMOPU-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C1CCN(CCC2CC[NH2+]CC2)CC1)S(C)(=O)=O ZINC000359210897 261730216 /nfs/dbraw/zinc/73/02/16/261730216.db2.gz DVEMRLFKELDEPR-UHFFFAOYSA-N 1 3 303.472 0.732 20 0 DCADHO Cc1nccn1CCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000362690767 262061137 /nfs/dbraw/zinc/06/11/37/262061137.db2.gz VXSLHIWAXARARO-MRXNPFEDSA-N 1 3 319.453 0.820 20 0 DCADHO Cc1nccn1CCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000362690767 262061139 /nfs/dbraw/zinc/06/11/39/262061139.db2.gz VXSLHIWAXARARO-MRXNPFEDSA-N 1 3 319.453 0.820 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000363001709 262093343 /nfs/dbraw/zinc/09/33/43/262093343.db2.gz PTAIFDJFIWWZQD-NCOADZHNSA-N 1 3 322.497 0.669 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000363001709 262093345 /nfs/dbraw/zinc/09/33/45/262093345.db2.gz PTAIFDJFIWWZQD-NCOADZHNSA-N 1 3 322.497 0.669 20 0 DCADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363183209 262104325 /nfs/dbraw/zinc/10/43/25/262104325.db2.gz PYYBYXSDDAUHCN-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)N(C)C ZINC000363538121 262119397 /nfs/dbraw/zinc/11/93/97/262119397.db2.gz MNJKSMDWMLVCGI-KBPBESRZSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)N(C)C ZINC000363538121 262119399 /nfs/dbraw/zinc/11/93/99/262119399.db2.gz MNJKSMDWMLVCGI-KBPBESRZSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000363657190 262125895 /nfs/dbraw/zinc/12/58/95/262125895.db2.gz WLEKSWRQOQYDGW-CQSZACIVSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000363657190 262125896 /nfs/dbraw/zinc/12/58/96/262125896.db2.gz WLEKSWRQOQYDGW-CQSZACIVSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000363657190 262125898 /nfs/dbraw/zinc/12/58/98/262125898.db2.gz WLEKSWRQOQYDGW-CQSZACIVSA-N 1 3 310.442 0.267 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C2CC2)C2CC[NH2+]CC2)CC1=O ZINC000370788086 262150141 /nfs/dbraw/zinc/15/01/41/262150141.db2.gz PQEBHXFOGVLFJI-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](C[NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390951263 262160112 /nfs/dbraw/zinc/16/01/12/262160112.db2.gz WSCFBFNNBWLTRR-GDBMZVCRSA-N 1 3 305.422 0.989 20 0 DCADHO C[C@@H]1C[C@H](C)N(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000397400920 262164211 /nfs/dbraw/zinc/16/42/11/262164211.db2.gz NBGBNQHLKJYHIF-QPSCCSFWSA-N 1 3 317.499 0.963 20 0 DCADHO [NH3+]CCN(CCO)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416834441 262241027 /nfs/dbraw/zinc/24/10/27/262241027.db2.gz DJVVIOBJWJKKNL-HNNXBMFYSA-N 1 3 306.410 0.224 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000416970680 262242784 /nfs/dbraw/zinc/24/27/84/262242784.db2.gz AYHVBUALNPFDDM-AWEZNQCLSA-N 1 3 306.410 0.870 20 0 DCADHO COCCN(C)CC[C@H](NC(=O)NCC[NH3+])c1ccccc1 ZINC000417512089 262253949 /nfs/dbraw/zinc/25/39/49/262253949.db2.gz HCSWMGGBXUQHBN-HNNXBMFYSA-N 1 3 308.426 0.954 20 0 DCADHO CC(C)(C(=O)NCCN1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000417820609 262262370 /nfs/dbraw/zinc/26/23/70/262262370.db2.gz YFNKZCQPXRJRSQ-OAHLLOKOSA-N 1 3 304.438 0.734 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417827607 262263303 /nfs/dbraw/zinc/26/33/03/262263303.db2.gz PSFRLNOGRWCJQQ-WOPDTQHZSA-N 1 3 322.375 0.327 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]2CCC[NH2+]2)ccn1 ZINC000417955939 262266188 /nfs/dbraw/zinc/26/61/88/262266188.db2.gz SJCFHVKNUAYAOX-CQSZACIVSA-N 1 3 321.425 0.573 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418358939 262275180 /nfs/dbraw/zinc/27/51/80/262275180.db2.gz IWVPJNPIBKBNSC-CQSZACIVSA-N 1 3 300.447 0.507 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000418364010 262275477 /nfs/dbraw/zinc/27/54/77/262275477.db2.gz CQFWJIMCHQQQGV-CYBMUJFWSA-N 1 3 321.425 0.777 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000418405300 262276554 /nfs/dbraw/zinc/27/65/54/262276554.db2.gz KXMVPBJBAWTMKJ-AWEZNQCLSA-N 1 3 313.490 0.685 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418416800 262277028 /nfs/dbraw/zinc/27/70/28/262277028.db2.gz WDSKMXNUBCINNU-ZFWWWQNUSA-N 1 3 312.458 0.864 20 0 DCADHO COCCNCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000418514568 262280515 /nfs/dbraw/zinc/28/05/15/262280515.db2.gz WYDVRKHJUZIRLT-UHFFFAOYSA-N 1 3 312.458 0.882 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418670630 262285994 /nfs/dbraw/zinc/28/59/94/262285994.db2.gz LEHIFUFVMGVYHJ-ZSHCYNCHSA-N 1 3 323.485 0.263 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000418999081 262302539 /nfs/dbraw/zinc/30/25/39/262302539.db2.gz QJWAMRNCGRYCDQ-HNNXBMFYSA-N 1 3 318.421 0.233 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419075492 262306873 /nfs/dbraw/zinc/30/68/73/262306873.db2.gz GEVJTFBFRQCFPK-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419084613 262308049 /nfs/dbraw/zinc/30/80/49/262308049.db2.gz YVSCVFWCSJYYFH-WMLDXEAASA-N 1 3 324.469 0.564 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419172035 262316468 /nfs/dbraw/zinc/31/64/68/262316468.db2.gz QIQZFSVJEWKPRO-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419171810 262316475 /nfs/dbraw/zinc/31/64/75/262316475.db2.gz PRXQMDHOUGADBJ-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000419409635 262331061 /nfs/dbraw/zinc/33/10/61/262331061.db2.gz NHTDJETXIFUQAU-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419411323 262331416 /nfs/dbraw/zinc/33/14/16/262331416.db2.gz BNFINJPNIGZEDT-DZGCQCFKSA-N 1 3 318.421 0.403 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419430513 262332929 /nfs/dbraw/zinc/33/29/29/262332929.db2.gz VXVCZKKJVNCYFU-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+]CCNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419425779 262333148 /nfs/dbraw/zinc/33/31/48/262333148.db2.gz PSIAAOOBCYJBPO-AWEZNQCLSA-N 1 3 304.394 0.015 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000419485125 262334402 /nfs/dbraw/zinc/33/44/02/262334402.db2.gz VBCOCNYNMCYYPW-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000419485125 262334404 /nfs/dbraw/zinc/33/44/04/262334404.db2.gz VBCOCNYNMCYYPW-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419587165 262339000 /nfs/dbraw/zinc/33/90/00/262339000.db2.gz NLLLXURSAUYBDD-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419595679 262339486 /nfs/dbraw/zinc/33/94/86/262339486.db2.gz WXKUNMGHLFGSTN-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC[C@H]1[NH3+] ZINC000419691550 262345938 /nfs/dbraw/zinc/34/59/38/262345938.db2.gz DYQNFTLWHJLFBN-UMVBOHGHSA-N 1 3 322.453 0.315 20 0 DCADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000419694263 262346133 /nfs/dbraw/zinc/34/61/33/262346133.db2.gz KDAWUWAKGPIZKY-CQSZACIVSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699110 262347564 /nfs/dbraw/zinc/34/75/64/262347564.db2.gz VKIKCEOOCLNVGG-RDBSUJKOSA-N 1 3 322.453 0.315 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419838513 262348171 /nfs/dbraw/zinc/34/81/71/262348171.db2.gz FVFOMDZWHYWDGD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419880196 262351623 /nfs/dbraw/zinc/35/16/23/262351623.db2.gz UNFWZLZTJKDDHZ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419930240 262353404 /nfs/dbraw/zinc/35/34/04/262353404.db2.gz ANMMYJMLBZKQTN-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419959066 262353745 /nfs/dbraw/zinc/35/37/45/262353745.db2.gz CYJFNUVPCRPZHL-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419991555 262356190 /nfs/dbraw/zinc/35/61/90/262356190.db2.gz GVPWRPMTFVBUKE-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420092753 262359952 /nfs/dbraw/zinc/35/99/52/262359952.db2.gz WEGRINPDADKSPW-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000420190105 262366038 /nfs/dbraw/zinc/36/60/38/262366038.db2.gz GRSXNCNROQXITR-TUVASFSCSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000420397930 262373111 /nfs/dbraw/zinc/37/31/11/262373111.db2.gz GQCKKSGSOLQIFJ-UWVGGRQHSA-N 1 3 324.347 0.681 20 0 DCADHO CN1CCN(C(=O)CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000420408980 262373956 /nfs/dbraw/zinc/37/39/56/262373956.db2.gz WOXAQXJPNTWDSQ-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423378655 262442031 /nfs/dbraw/zinc/44/20/31/262442031.db2.gz MLVQWXBWKANKSB-CHWSQXEVSA-N 1 3 308.430 0.620 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423411600 262444011 /nfs/dbraw/zinc/44/40/11/262444011.db2.gz GBISQIMGESNGCS-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423766826 262461425 /nfs/dbraw/zinc/46/14/25/262461425.db2.gz CWKNWZXUTSZMOL-NFAWXSAZSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423766826 262461426 /nfs/dbraw/zinc/46/14/26/262461426.db2.gz CWKNWZXUTSZMOL-NFAWXSAZSA-N 1 3 310.442 0.171 20 0 DCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)[C@@H]2C1 ZINC000425386800 262526233 /nfs/dbraw/zinc/52/62/33/262526233.db2.gz MIOXQPIDUGMICY-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CN1CCN(CC2(C)CCN(C(=O)/C=C/C[NH+](C)C)CC2)CC1 ZINC000359962895 271152285 /nfs/dbraw/zinc/15/22/85/271152285.db2.gz XECJMTQOPCVERC-AATRIKPKSA-N 1 3 322.497 0.980 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418283596 271239507 /nfs/dbraw/zinc/23/95/07/271239507.db2.gz ADDIIGCTWDXWLG-HNNXBMFYSA-N 1 3 312.458 0.521 20 0 DCADHO COCCNCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418508831 271246937 /nfs/dbraw/zinc/24/69/37/271246937.db2.gz NJLJIZWUMHWFSG-CABCVRRESA-N 1 3 312.458 0.786 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418734444 271253208 /nfs/dbraw/zinc/25/32/08/271253208.db2.gz SFLNSQBZVUQNBH-KGLIPLIRSA-N 1 3 311.474 0.534 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419033726 271269351 /nfs/dbraw/zinc/26/93/51/271269351.db2.gz YXFUXZCADJPXTH-SFDCQRBFSA-N 1 3 324.469 0.323 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419043694 271270038 /nfs/dbraw/zinc/27/00/38/271270038.db2.gz KCORLHOAJVIQAZ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)C(C)(C)C ZINC000419141343 271276063 /nfs/dbraw/zinc/27/60/63/271276063.db2.gz WWPXIXPEEWWBPN-QWHCGFSZSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@@H]1CN ZINC000419143974 271276227 /nfs/dbraw/zinc/27/62/27/271276227.db2.gz DWLBXYWMJORMDY-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419403468 271289048 /nfs/dbraw/zinc/28/90/48/271289048.db2.gz DYFGAWXFJQAOGH-CABCVRRESA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000419401103 271289202 /nfs/dbraw/zinc/28/92/02/271289202.db2.gz ANZZTCLAJJQEAI-HZSPNIEDSA-N 1 3 310.442 0.078 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])C1CC1 ZINC000419521885 271296533 /nfs/dbraw/zinc/29/65/33/271296533.db2.gz LJIQEELORJZYAN-JSGCOSHPSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419529479 271297976 /nfs/dbraw/zinc/29/79/76/271297976.db2.gz YAAYCPDQKVHYSJ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000419630686 271312711 /nfs/dbraw/zinc/31/27/11/271312711.db2.gz UITFQYYRNJYDQU-JSGCOSHPSA-N 1 3 310.442 0.387 20 0 DCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N[C@@H](C)C[NH3+])c1ccccc1 ZINC000419653832 271316190 /nfs/dbraw/zinc/31/61/90/271316190.db2.gz RLJGNPOPOGKZGN-QWHCGFSZSA-N 1 3 320.437 0.695 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419704228 271323745 /nfs/dbraw/zinc/32/37/45/271323745.db2.gz XVSTWPALQYHJEN-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C[NH+]1CCCC1 ZINC000419833022 271331857 /nfs/dbraw/zinc/33/18/57/271331857.db2.gz SEAXPLGVUCXUDP-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419937569 271345634 /nfs/dbraw/zinc/34/56/34/271345634.db2.gz VXQQOWIMZRQOEF-OAHLLOKOSA-N 1 3 318.421 0.357 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000419942532 271346855 /nfs/dbraw/zinc/34/68/55/271346855.db2.gz GBTUNWORKSEKJY-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419958775 271350704 /nfs/dbraw/zinc/35/07/04/271350704.db2.gz VFABMPAJZIQYAT-CYBMUJFWSA-N 1 3 324.425 0.142 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000420014112 271351129 /nfs/dbraw/zinc/35/11/29/271351129.db2.gz NCIAUDHESWLUDE-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420047404 271354676 /nfs/dbraw/zinc/35/46/76/271354676.db2.gz COJGWKOOSOXSDO-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000420130489 271359234 /nfs/dbraw/zinc/35/92/34/271359234.db2.gz WEDBYDJLUPXTMR-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000420130489 271359236 /nfs/dbraw/zinc/35/92/36/271359236.db2.gz WEDBYDJLUPXTMR-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000459992409 272022863 /nfs/dbraw/zinc/02/28/63/272022863.db2.gz JGDOZBWBGJQKJL-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000459992409 272022866 /nfs/dbraw/zinc/02/28/66/272022866.db2.gz JGDOZBWBGJQKJL-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCNc1nc(NC[C@@H](C)C[NH+](C)C)nc(NC(C)(C)C)n1 ZINC000488978149 272054814 /nfs/dbraw/zinc/05/48/14/272054814.db2.gz JHXVEHUJHJNNDU-LLVKDONJSA-N 1 3 309.462 0.967 20 0 DCADHO CC(CNC(=O)/C=C\CN(C)C)CNC(=O)/C=C\C[NH+](C)C ZINC000492973410 272161196 /nfs/dbraw/zinc/16/11/96/272161196.db2.gz NMPGGTPCEJWDEL-VRHVFUOLSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494682762 272227995 /nfs/dbraw/zinc/22/79/95/272227995.db2.gz RUFFGNKWMYQXPP-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)Cc1ccccc1 ZINC000509338841 272396779 /nfs/dbraw/zinc/39/67/79/272396779.db2.gz QLXANZNJAYBFDG-OAGGEKHMSA-N 1 3 305.422 0.782 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000519649634 287676722 /nfs/dbraw/zinc/67/67/22/287676722.db2.gz YWMRPENLJIWCKC-KIGUWFBYSA-N 1 3 317.380 0.632 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cnccn1 ZINC000527467669 287694095 /nfs/dbraw/zinc/69/40/95/287694095.db2.gz NYBRUOSMOMYDES-UHFFFAOYSA-N 1 3 308.430 0.154 20 0 DCADHO CNC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000531118446 287767749 /nfs/dbraw/zinc/76/77/49/287767749.db2.gz WVVKNVHNVYCKSY-UHFFFAOYSA-N 1 3 321.425 0.007 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000414909148 277033269 /nfs/dbraw/zinc/03/32/69/277033269.db2.gz FYOLNOAJOKLGSS-OAHLLOKOSA-N 1 3 318.421 0.897 20 0 DCADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333536940 278979335 /nfs/dbraw/zinc/97/93/35/278979335.db2.gz ITNUNKFZGVRHAF-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000105329093 279031955 /nfs/dbraw/zinc/03/19/55/279031955.db2.gz YFZPPQDYRDLVPP-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000105329093 279031956 /nfs/dbraw/zinc/03/19/56/279031956.db2.gz YFZPPQDYRDLVPP-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000549944324 288208549 /nfs/dbraw/zinc/20/85/49/288208549.db2.gz CPUTXNACXSSKET-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000565255817 288839542 /nfs/dbraw/zinc/83/95/42/288839542.db2.gz VDBFRPZJTZGYAV-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000333894852 294610784 /nfs/dbraw/zinc/61/07/84/294610784.db2.gz YWEKQVKYQBUHTI-YHUYYLMFSA-N 1 3 324.469 0.879 20 0 DCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000333269326 303399928 /nfs/dbraw/zinc/39/99/28/303399928.db2.gz KEXBDAXTSAGXHP-HOTGVXAUSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000570271907 332733854 /nfs/dbraw/zinc/73/38/54/332733854.db2.gz PEMZTZAJJVBKBN-CHWSQXEVSA-N 1 3 308.426 0.829 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)C2)CC1 ZINC000571083041 333658685 /nfs/dbraw/zinc/65/86/85/333658685.db2.gz ZGMUUUIANBQEAX-RDJZCZTQSA-N 1 3 308.470 0.613 20 0 DCADHO CSC1(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC001574097712 1159244318 /nfs/dbraw/zinc/24/43/18/1159244318.db2.gz RRTNQJSHZGFXEW-GFCCVEGCSA-N 1 3 321.512 0.485 20 0 DCADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CNC2)C1 ZINC000582596142 337111435 /nfs/dbraw/zinc/11/14/35/337111435.db2.gz FFNMVXLAYGRIJU-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CNC2)C1 ZINC000582596142 337111436 /nfs/dbraw/zinc/11/14/36/337111436.db2.gz FFNMVXLAYGRIJU-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CSC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000576391190 341843716 /nfs/dbraw/zinc/84/37/16/341843716.db2.gz PTAHTSUFAQMTMK-AWEZNQCLSA-N 1 3 317.499 0.097 20 0 DCADHO C[NH2+]CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237221946 521961655 /nfs/dbraw/zinc/96/16/55/521961655.db2.gz LXJZPBCUWRDIGC-UHFFFAOYSA-N 1 3 304.438 0.530 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364266359 522813308 /nfs/dbraw/zinc/81/33/08/522813308.db2.gz IZJXPLLFGNXBNJ-HUUCEWRRSA-N 1 3 310.442 0.585 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364266359 522813318 /nfs/dbraw/zinc/81/33/18/522813318.db2.gz IZJXPLLFGNXBNJ-HUUCEWRRSA-N 1 3 310.442 0.585 20 0 DCADHO C[NH+]1CCC(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000364153415 523761310 /nfs/dbraw/zinc/76/13/10/523761310.db2.gz DRVREBLGQKHAPL-CABCVRRESA-N 1 3 310.442 0.491 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410847438 527802201 /nfs/dbraw/zinc/80/22/01/527802201.db2.gz WOOMXVQTHAOYEB-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000410847438 527802206 /nfs/dbraw/zinc/80/22/06/527802206.db2.gz WOOMXVQTHAOYEB-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420123757 535049145 /nfs/dbraw/zinc/04/91/45/535049145.db2.gz MHOWHBCPXKMEFW-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000497307762 536385217 /nfs/dbraw/zinc/38/52/17/536385217.db2.gz XELHXJPENLKCMC-GFCCVEGCSA-N 1 3 313.446 0.967 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000315025612 546026782 /nfs/dbraw/zinc/02/67/82/546026782.db2.gz MLXNHJZSQWQLAD-CYBMUJFWSA-N 1 3 322.375 0.282 20 0 DCADHO CN1CCN(c2ncc(CN[C@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000414935934 546236331 /nfs/dbraw/zinc/23/63/31/546236331.db2.gz YYDJYTXVICYLII-GJZGRUSLSA-N 1 3 304.442 0.588 20 0 DCADHO CC(C)N1CC[C@@H]([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000452110658 546261508 /nfs/dbraw/zinc/26/15/08/546261508.db2.gz AFMPQJUWHWPYQZ-YYIAUSFCSA-N 1 3 313.486 0.871 20 0 DCADHO CC(C)N1CC[C@@H]([N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000452110658 546261511 /nfs/dbraw/zinc/26/15/11/546261511.db2.gz AFMPQJUWHWPYQZ-YYIAUSFCSA-N 1 3 313.486 0.871 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000638069449 546336712 /nfs/dbraw/zinc/33/67/12/546336712.db2.gz PDHBPGYXFODIMH-UBHSHLNASA-N 1 3 301.456 0.307 20 0 DCADHO Cn1nc2c(cc1=O)CN(Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662256780 546372946 /nfs/dbraw/zinc/37/29/46/546372946.db2.gz KLTQDLSXQAVKPT-UHFFFAOYSA-N 1 3 310.401 0.984 20 0 DCADHO C[C@H](C[C@H](C)O)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760272 546395432 /nfs/dbraw/zinc/39/54/32/546395432.db2.gz DUPIKHFXFJYUAK-RDBSUJKOSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@H](C[C@H](C)O)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760272 546395436 /nfs/dbraw/zinc/39/54/36/546395436.db2.gz DUPIKHFXFJYUAK-RDBSUJKOSA-N 1 3 302.463 0.717 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000666922809 546528727 /nfs/dbraw/zinc/52/87/27/546528727.db2.gz XXBYGSPYLOYWIQ-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000666922809 546528729 /nfs/dbraw/zinc/52/87/29/546528729.db2.gz XXBYGSPYLOYWIQ-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666972527 546535710 /nfs/dbraw/zinc/53/57/10/546535710.db2.gz ADBVTIGOXHLQDO-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666971624 546535768 /nfs/dbraw/zinc/53/57/68/546535768.db2.gz BKUXYFXGCIDFCP-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC(=O)N1 ZINC000667811561 546656244 /nfs/dbraw/zinc/65/62/44/546656244.db2.gz PKCJBCLBKSNQLE-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC(=O)N1 ZINC000667811561 546656247 /nfs/dbraw/zinc/65/62/47/546656247.db2.gz PKCJBCLBKSNQLE-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCNC(C)(C)C3)C2)CC1 ZINC000669484149 546976861 /nfs/dbraw/zinc/97/68/61/546976861.db2.gz FEXQYMHYQPLDNF-CQSZACIVSA-N 1 3 323.485 0.548 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCNC(C)(C)C3)C2)CC1 ZINC000669484149 546976867 /nfs/dbraw/zinc/97/68/67/546976867.db2.gz FEXQYMHYQPLDNF-CQSZACIVSA-N 1 3 323.485 0.548 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000669490930 546978301 /nfs/dbraw/zinc/97/83/01/546978301.db2.gz FCZJWFQPVUFONU-CVEARBPZSA-N 1 3 321.469 0.160 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)CN1CCN(C)CC1 ZINC000669499774 546980174 /nfs/dbraw/zinc/98/01/74/546980174.db2.gz NVCVARNQNXSKLV-HUUCEWRRSA-N 1 3 311.474 0.311 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CCCCN1C1CC1 ZINC000669571213 546992778 /nfs/dbraw/zinc/99/27/78/546992778.db2.gz SLOAMUOQAZBSTJ-OAHLLOKOSA-N 1 3 309.458 0.208 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671963363 547307386 /nfs/dbraw/zinc/30/73/86/547307386.db2.gz ATBMIEVUYREHEB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671963363 547307388 /nfs/dbraw/zinc/30/73/88/547307388.db2.gz ATBMIEVUYREHEB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672098277 547318843 /nfs/dbraw/zinc/31/88/43/547318843.db2.gz GOVWVHGLXITORM-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672098277 547318845 /nfs/dbraw/zinc/31/88/45/547318845.db2.gz GOVWVHGLXITORM-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673085717 547444505 /nfs/dbraw/zinc/44/45/05/547444505.db2.gz XNYIAZKHLTVFKQ-AWEZNQCLSA-N 1 3 314.474 0.347 20 0 DCADHO C[C@H](CCN1CC[C@@H](CC(N)=O)C1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676871238 547828203 /nfs/dbraw/zinc/82/82/03/547828203.db2.gz RDEKVUGCWLAYQP-RDBSUJKOSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CCN1CC[C@@H](CC(N)=O)C1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676871238 547828207 /nfs/dbraw/zinc/82/82/07/547828207.db2.gz RDEKVUGCWLAYQP-RDBSUJKOSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@@H+]1CC[C@@H](CC(N)=O)C1)N1CC[C@@H](CC(N)=O)C1 ZINC000676871238 547828212 /nfs/dbraw/zinc/82/82/12/547828212.db2.gz RDEKVUGCWLAYQP-RDBSUJKOSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@H+]1CC[C@@H](CC(N)=O)C1)N1CC[C@@H](CC(N)=O)C1 ZINC000676871238 547828215 /nfs/dbraw/zinc/82/82/15/547828215.db2.gz RDEKVUGCWLAYQP-RDBSUJKOSA-N 1 3 310.442 0.160 20 0 DCADHO CC(CN1CC[C@@H](CC(N)=O)C1)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676908913 547832216 /nfs/dbraw/zinc/83/22/16/547832216.db2.gz QRXOTBUFLLOROQ-KBPBESRZSA-N 1 3 310.442 0.017 20 0 DCADHO CC(CN1CC[C@@H](CC(N)=O)C1)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676908913 547832220 /nfs/dbraw/zinc/83/22/20/547832220.db2.gz QRXOTBUFLLOROQ-KBPBESRZSA-N 1 3 310.442 0.017 20 0 DCADHO C(CN1CCOCC1)N1CC[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000677242340 547857939 /nfs/dbraw/zinc/85/79/39/547857939.db2.gz XWNBYGHPCPCOHK-KZNAEPCWSA-N 1 3 322.497 0.609 20 0 DCADHO C(CN1CCOCC1)N1CC[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000677242340 547857942 /nfs/dbraw/zinc/85/79/42/547857942.db2.gz XWNBYGHPCPCOHK-KZNAEPCWSA-N 1 3 322.497 0.609 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678581622 547992801 /nfs/dbraw/zinc/99/28/01/547992801.db2.gz ZGFXMVQKELEJTM-KGLIPLIRSA-N 1 3 301.456 0.628 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678581622 547992805 /nfs/dbraw/zinc/99/28/05/547992805.db2.gz ZGFXMVQKELEJTM-KGLIPLIRSA-N 1 3 301.456 0.628 20 0 DCADHO C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)CN1CCCC1 ZINC000678899626 548015426 /nfs/dbraw/zinc/01/54/26/548015426.db2.gz RHPBLBOLBNWPGP-VEAWUBTESA-N 1 3 308.426 0.829 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1=O ZINC000679064616 548024168 /nfs/dbraw/zinc/02/41/68/548024168.db2.gz KICPGYACWZNMHU-WBOJAVRRSA-N 1 3 320.437 0.923 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000679064616 548024172 /nfs/dbraw/zinc/02/41/72/548024172.db2.gz KICPGYACWZNMHU-WBOJAVRRSA-N 1 3 320.437 0.923 20 0 DCADHO CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000679064616 548024176 /nfs/dbraw/zinc/02/41/76/548024176.db2.gz KICPGYACWZNMHU-WBOJAVRRSA-N 1 3 320.437 0.923 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn2ncccc12 ZINC000683408700 548480478 /nfs/dbraw/zinc/48/04/78/548480478.db2.gz RICGZDZYZDXVHT-UHFFFAOYSA-N 1 3 304.398 0.295 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC(=O)NC2CC2)CCC1 ZINC001670123697 1174984226 /nfs/dbraw/zinc/98/42/26/1174984226.db2.gz BJGHLCPHXXZCFN-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680518 660611992 /nfs/dbraw/zinc/61/19/92/660611992.db2.gz GUBORYLWZMAGKZ-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680518 660611993 /nfs/dbraw/zinc/61/19/93/660611993.db2.gz GUBORYLWZMAGKZ-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO CC(C)(C)NS(=O)(=O)C1(CN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000925764575 660818834 /nfs/dbraw/zinc/81/88/34/660818834.db2.gz HCOROSRHSLPFGX-VXGBXAGGSA-N 1 3 303.472 0.954 20 0 DCADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980391694 660926247 /nfs/dbraw/zinc/92/62/47/660926247.db2.gz RETNZWJNZGBGCQ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980391694 660926249 /nfs/dbraw/zinc/92/62/49/660926249.db2.gz RETNZWJNZGBGCQ-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cncn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000980705411 660988102 /nfs/dbraw/zinc/98/81/02/660988102.db2.gz ZBBVDTWHOUUEEG-OLZOCXBDSA-N 1 3 316.409 0.713 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CNC2 ZINC000317230420 661033800 /nfs/dbraw/zinc/03/38/00/661033800.db2.gz CWODFOBZLXETOS-JKSUJKDBSA-N 1 3 301.390 0.883 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CNC2 ZINC000317230420 661033802 /nfs/dbraw/zinc/03/38/02/661033802.db2.gz CWODFOBZLXETOS-JKSUJKDBSA-N 1 3 301.390 0.883 20 0 DCADHO O=C(N1CC[C@@H](N[C@@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969198109 657555976 /nfs/dbraw/zinc/55/59/76/657555976.db2.gz ZFFQPVYZZBDLRD-ZIAGYGMSSA-N 1 3 320.437 0.084 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000970479604 657557079 /nfs/dbraw/zinc/55/70/79/657557079.db2.gz XABWLCFCIVEJQL-GDBMZVCRSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000970479604 657557083 /nfs/dbraw/zinc/55/70/83/657557083.db2.gz XABWLCFCIVEJQL-GDBMZVCRSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970484462 657561932 /nfs/dbraw/zinc/56/19/32/657561932.db2.gz SPRUPKKIFFMMIE-GOEBONIOSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970484462 657561936 /nfs/dbraw/zinc/56/19/36/657561936.db2.gz SPRUPKKIFFMMIE-GOEBONIOSA-N 1 3 317.437 0.817 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000970717795 657824967 /nfs/dbraw/zinc/82/49/67/657824967.db2.gz NJJBQNIMSCISNV-QGZVFWFLSA-N 1 3 317.433 0.965 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500151 657935876 /nfs/dbraw/zinc/93/58/76/657935876.db2.gz QCHBLWRATBJGFZ-BOLLXYOYSA-N 1 3 307.438 0.698 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500151 657935883 /nfs/dbraw/zinc/93/58/83/657935883.db2.gz QCHBLWRATBJGFZ-BOLLXYOYSA-N 1 3 307.438 0.698 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452992 657936909 /nfs/dbraw/zinc/93/69/09/657936909.db2.gz VOZFMAYILDZAIA-HJTLVLNNSA-N 1 3 305.422 0.496 20 0 DCADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(CCc2ccnn2C)C1 ZINC000970875888 658007663 /nfs/dbraw/zinc/00/76/63/658007663.db2.gz SBKHMOXJMGCCHM-KBPBESRZSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCc2ccnn2C)C1 ZINC000970875888 658007670 /nfs/dbraw/zinc/00/76/70/658007670.db2.gz SBKHMOXJMGCCHM-KBPBESRZSA-N 1 3 319.453 0.351 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926331998 658096515 /nfs/dbraw/zinc/09/65/15/658096515.db2.gz DJZTYRSIDNGABT-RBSFLKMASA-N 1 3 324.469 0.372 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cn1 ZINC001020588865 658159384 /nfs/dbraw/zinc/15/93/84/658159384.db2.gz OUAKLLRUQHNGMS-DAXOMENPSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001020588796 658159531 /nfs/dbraw/zinc/15/95/31/658159531.db2.gz MPBUGKDHQBMYIF-MGPQQGTHSA-N 1 3 305.426 0.499 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000969815458 658177482 /nfs/dbraw/zinc/17/74/82/658177482.db2.gz UJDWKGFBZROYMR-BXUZGUMPSA-N 1 3 320.441 0.706 20 0 DCADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000998994076 665559631 /nfs/dbraw/zinc/55/96/31/665559631.db2.gz KRCVTSCYEOFFRF-PIMMBPRGSA-N 1 3 320.441 0.378 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCc3ccnn3C)C2)C1 ZINC000969947740 658285727 /nfs/dbraw/zinc/28/57/27/658285727.db2.gz GZACYQKTEXRXRG-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCc3ccnn3C)C2)C1 ZINC000969947740 658285732 /nfs/dbraw/zinc/28/57/32/658285732.db2.gz GZACYQKTEXRXRG-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000969955048 658289744 /nfs/dbraw/zinc/28/97/44/658289744.db2.gz LGHSFKHSMNNKKQ-CZUORRHYSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000969955048 658289753 /nfs/dbraw/zinc/28/97/53/658289753.db2.gz LGHSFKHSMNNKKQ-CZUORRHYSA-N 1 3 319.453 0.761 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001023888920 658297399 /nfs/dbraw/zinc/29/73/99/658297399.db2.gz FWOGFHZBORHQKK-UKRRQHHQSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001022712738 658359903 /nfs/dbraw/zinc/35/99/03/658359903.db2.gz YPLWTUAFRHXSCO-BMFZPTHFSA-N 1 3 319.453 0.684 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCOC3)C2)C1 ZINC001022717480 658378223 /nfs/dbraw/zinc/37/82/23/658378223.db2.gz YIJLFCLJSOHOPC-QXSJWSMHSA-N 1 3 309.454 0.992 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001024263229 658548062 /nfs/dbraw/zinc/54/80/62/658548062.db2.gz BGBQCDFBVGYLCE-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024263229 658548072 /nfs/dbraw/zinc/54/80/72/658548072.db2.gz BGBQCDFBVGYLCE-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1)C(N)=O ZINC001022808704 658601701 /nfs/dbraw/zinc/60/17/01/658601701.db2.gz YZUFZGVSAFQGIY-LXTVHRRPSA-N 1 3 324.469 0.750 20 0 DCADHO C[C@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CC2CC2)C1 ZINC000970192198 658721110 /nfs/dbraw/zinc/72/11/10/658721110.db2.gz YJBBSQDCUMLQEJ-DXEFUBIOSA-N 1 3 319.449 0.696 20 0 DCADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001021049508 658727728 /nfs/dbraw/zinc/72/77/28/658727728.db2.gz OOKNQQTYZJZBHI-CRWXNKLISA-N 1 3 303.410 0.726 20 0 DCADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001021049508 658727733 /nfs/dbraw/zinc/72/77/33/658727733.db2.gz OOKNQQTYZJZBHI-CRWXNKLISA-N 1 3 303.410 0.726 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001021090749 658751643 /nfs/dbraw/zinc/75/16/43/658751643.db2.gz JWXKVRSPQOXEJZ-BIQWYFBQSA-N 1 3 320.441 0.388 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001021093106 658751686 /nfs/dbraw/zinc/75/16/86/658751686.db2.gz ZWZHKPVRFZUGCX-XDQVBPFNSA-N 1 3 310.442 0.362 20 0 DCADHO C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427105 658753166 /nfs/dbraw/zinc/75/31/66/658753166.db2.gz UFUJQSGTDAPYCX-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427105 658753171 /nfs/dbraw/zinc/75/31/71/658753171.db2.gz UFUJQSGTDAPYCX-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO COCCN(C)CCNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891493727 658891370 /nfs/dbraw/zinc/89/13/70/658891370.db2.gz ZPZJAYBMZFMOCS-INIZCTEOSA-N 1 3 312.458 0.740 20 0 DCADHO O=C(N[C@H]1C[C@@H](NCc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC001022981502 658891417 /nfs/dbraw/zinc/89/14/17/658891417.db2.gz ROUVAWWYFUZUBM-TXEJJXNPSA-N 1 3 306.435 0.976 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891493281 658892108 /nfs/dbraw/zinc/89/21/08/658892108.db2.gz ORZIAKVSPWEDGG-ZDUSSCGKSA-N 1 3 300.447 0.642 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[NH2+]CCC12CCC2 ZINC000891514186 658898885 /nfs/dbraw/zinc/89/88/85/658898885.db2.gz NRIQRLFJASJNLS-LSDHHAIUSA-N 1 3 322.453 0.777 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000891513932 658899079 /nfs/dbraw/zinc/89/90/79/658899079.db2.gz KCAIZLXLWSZEBM-QRJUGERDSA-N 1 3 322.453 0.679 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC000999347254 665633395 /nfs/dbraw/zinc/63/33/95/665633395.db2.gz HYKDTEPNCXZYAK-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC000999362624 665636667 /nfs/dbraw/zinc/63/66/67/665636667.db2.gz BFOOYEOXFRONQQ-ZBFHGGJFSA-N 1 3 322.453 0.140 20 0 DCADHO CCn1ccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027216121 659086449 /nfs/dbraw/zinc/08/64/49/659086449.db2.gz RLFGCDBUFUZNFF-HUUCEWRRSA-N 1 3 319.453 0.793 20 0 DCADHO CCn1ccc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027216121 659086453 /nfs/dbraw/zinc/08/64/53/659086453.db2.gz RLFGCDBUFUZNFF-HUUCEWRRSA-N 1 3 319.453 0.793 20 0 DCADHO C[C@@H](CN1C(=O)N[C@H](CN2CCCCC2)C1=O)[N@H+](C)C1CC1 ZINC000924582686 659086944 /nfs/dbraw/zinc/08/69/44/659086944.db2.gz NFWAGQOFJPGYKR-GXTWGEPZSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@@H](CN1C(=O)N[C@H](CN2CCCCC2)C1=O)[N@@H+](C)C1CC1 ZINC000924582686 659086948 /nfs/dbraw/zinc/08/69/48/659086948.db2.gz NFWAGQOFJPGYKR-GXTWGEPZSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999405739 665641767 /nfs/dbraw/zinc/64/17/67/665641767.db2.gz GYOSDNBXGPDJJK-HSBZDZAISA-N 1 3 320.441 0.378 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999405739 665641769 /nfs/dbraw/zinc/64/17/69/665641769.db2.gz GYOSDNBXGPDJJK-HSBZDZAISA-N 1 3 320.441 0.378 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001027217382 659089908 /nfs/dbraw/zinc/08/99/08/659089908.db2.gz JOULXEYFRUWNJG-GFCCVEGCSA-N 1 3 309.439 0.572 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974145590 659228067 /nfs/dbraw/zinc/22/80/67/659228067.db2.gz CJKBOELOUIABGI-BARDWOONSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000974145590 659228069 /nfs/dbraw/zinc/22/80/69/659228069.db2.gz CJKBOELOUIABGI-BARDWOONSA-N 1 3 322.453 0.186 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)C1 ZINC001026361766 659239449 /nfs/dbraw/zinc/23/94/49/659239449.db2.gz SYLGWVWRZKNYTP-IHRRRGAJSA-N 1 3 322.453 0.030 20 0 DCADHO CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857425 665661428 /nfs/dbraw/zinc/66/14/28/665661428.db2.gz UXWARCCUAONVHD-DFFOAJLQSA-N 1 3 321.465 0.944 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCCO1 ZINC000892790189 659458365 /nfs/dbraw/zinc/45/83/65/659458365.db2.gz YYKCSLPPMIXZAD-JKSUJKDBSA-N 1 3 318.421 0.460 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892803925 659461525 /nfs/dbraw/zinc/46/15/25/659461525.db2.gz PAHPGEKQSCTYGG-WBVHZDCISA-N 1 3 320.437 0.313 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000892943869 659541759 /nfs/dbraw/zinc/54/17/59/659541759.db2.gz LHKHUAFICUMMJQ-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000892943869 659541763 /nfs/dbraw/zinc/54/17/63/659541763.db2.gz LHKHUAFICUMMJQ-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019776142 659613958 /nfs/dbraw/zinc/61/39/58/659613958.db2.gz YKXDBTCPKALSTE-HNNXBMFYSA-N 1 3 305.426 0.515 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CNCc2nccn2C)C1)[NH+](C)C ZINC001026900767 659630373 /nfs/dbraw/zinc/63/03/73/659630373.db2.gz CGKPYUHLUMKSOI-HOCLYGCPSA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1)OC ZINC001026043565 659760196 /nfs/dbraw/zinc/76/01/96/659760196.db2.gz NBYHBPUUHBMXNS-NBFUAULTSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1)OC ZINC001026043565 659760198 /nfs/dbraw/zinc/76/01/98/659760198.db2.gz NBYHBPUUHBMXNS-NBFUAULTSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3nncn3C)C2)C1 ZINC001027065034 659762373 /nfs/dbraw/zinc/76/23/73/659762373.db2.gz PDIMNYWJYFANCW-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3nncn3C)C2)C1 ZINC001027065034 659762376 /nfs/dbraw/zinc/76/23/76/659762376.db2.gz PDIMNYWJYFANCW-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNCc1c2c(nn1C)CCOC2 ZINC000921828701 666013702 /nfs/dbraw/zinc/01/37/02/666013702.db2.gz XHGLCNLZVVQCLP-ZDUSSCGKSA-N 1 3 310.442 0.939 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC001000187947 665768090 /nfs/dbraw/zinc/76/80/90/665768090.db2.gz YSFFMEWRYBQYMF-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC001000195613 665771037 /nfs/dbraw/zinc/77/10/37/665771037.db2.gz YKDHIVPAUPTACV-HOTGVXAUSA-N 1 3 319.453 0.948 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2CCCN(CCCO)CC2)CC1 ZINC000983047179 661745962 /nfs/dbraw/zinc/74/59/62/661745962.db2.gz MNCKEXKKYBLZQJ-UHFFFAOYSA-N 1 3 313.442 0.014 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN([C@H]3CCCNC3=O)C2)CC1 ZINC001028779330 661821619 /nfs/dbraw/zinc/82/16/19/661821619.db2.gz ZDDMPAMKBDZRJX-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001028933874 661895604 /nfs/dbraw/zinc/89/56/04/661895604.db2.gz UUCHEGRTCDURBY-CQSZACIVSA-N 1 3 317.437 0.454 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(Cc3ccccn3)C2)C1 ZINC001028986309 661920335 /nfs/dbraw/zinc/92/03/35/661920335.db2.gz QDAKLZNKKSJVAJ-GJZGRUSLSA-N 1 3 302.422 0.971 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(Cc3ccccn3)C2)C1 ZINC001028986309 661920339 /nfs/dbraw/zinc/92/03/39/661920339.db2.gz QDAKLZNKKSJVAJ-GJZGRUSLSA-N 1 3 302.422 0.971 20 0 DCADHO COC(=O)[C@@H]1[C@@H](C[NH2+]CCN2CCN(C)C(C)(C)C2)C1(F)F ZINC000894659996 661992255 /nfs/dbraw/zinc/99/22/55/661992255.db2.gz GTRODDMFDJDKEG-NEPJUHHUSA-N 1 3 319.396 0.656 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1=O ZINC000237162492 662047156 /nfs/dbraw/zinc/04/71/56/662047156.db2.gz VDAVFOJARKELHR-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CNC(=O)NC(=O)CCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262129696 662100380 /nfs/dbraw/zinc/10/03/80/662100380.db2.gz CWESPJFDDLDQRY-KGLIPLIRSA-N 1 3 304.394 0.506 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000895849944 662222493 /nfs/dbraw/zinc/22/24/93/662222493.db2.gz BWAJJPYNMWAWJI-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000895849944 662222495 /nfs/dbraw/zinc/22/24/95/662222495.db2.gz BWAJJPYNMWAWJI-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896043116 662238264 /nfs/dbraw/zinc/23/82/64/662238264.db2.gz MFUYBZZURCNLSZ-ZNMIVQPWSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896043116 662238266 /nfs/dbraw/zinc/23/82/66/662238266.db2.gz MFUYBZZURCNLSZ-ZNMIVQPWSA-N 1 3 310.442 0.321 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000984732703 662293046 /nfs/dbraw/zinc/29/30/46/662293046.db2.gz WKBCJUKKFOGIEC-CTYIDZIISA-N 1 3 319.453 0.746 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@H]2C1 ZINC000896749085 662310295 /nfs/dbraw/zinc/31/02/95/662310295.db2.gz OGRXEKUEKAACBH-IJEWVQPXSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@H]2C1 ZINC000896749085 662310297 /nfs/dbraw/zinc/31/02/97/662310297.db2.gz OGRXEKUEKAACBH-IJEWVQPXSA-N 1 3 322.453 0.443 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984810874 662317306 /nfs/dbraw/zinc/31/73/06/662317306.db2.gz YUQJZSKVAAAAJB-RRCSTGOVSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984810874 662317309 /nfs/dbraw/zinc/31/73/09/662317309.db2.gz YUQJZSKVAAAAJB-RRCSTGOVSA-N 1 3 319.453 0.602 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001029788585 662474077 /nfs/dbraw/zinc/47/40/77/662474077.db2.gz YEHRZGDPRBIJKF-UJEKJILKSA-N 1 3 307.438 0.650 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001029788585 662474078 /nfs/dbraw/zinc/47/40/78/662474078.db2.gz YEHRZGDPRBIJKF-UJEKJILKSA-N 1 3 307.438 0.650 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1)N(C)C ZINC000985655241 662496776 /nfs/dbraw/zinc/49/67/76/662496776.db2.gz GNPULWCZDMFXPC-HNNXBMFYSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1)N(C)C ZINC000985655241 662496779 /nfs/dbraw/zinc/49/67/79/662496779.db2.gz GNPULWCZDMFXPC-HNNXBMFYSA-N 1 3 322.457 0.541 20 0 DCADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985752348 662508799 /nfs/dbraw/zinc/50/87/99/662508799.db2.gz SAIVINFQMMRXFR-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985752348 662508800 /nfs/dbraw/zinc/50/88/00/662508800.db2.gz SAIVINFQMMRXFR-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985786551 662512590 /nfs/dbraw/zinc/51/25/90/662512590.db2.gz DAOHLMVJCCPVBC-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985786551 662512591 /nfs/dbraw/zinc/51/25/91/662512591.db2.gz DAOHLMVJCCPVBC-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001000548203 665879570 /nfs/dbraw/zinc/87/95/70/665879570.db2.gz ULRZSQFSPPCUJS-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001000546344 665879044 /nfs/dbraw/zinc/87/90/44/665879044.db2.gz ONYRAQJHLZCDOK-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987352622 662671355 /nfs/dbraw/zinc/67/13/55/662671355.db2.gz ALEGLTWSZNIGTQ-ZFWWWQNUSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCCC1 ZINC000987529552 662684831 /nfs/dbraw/zinc/68/48/31/662684831.db2.gz DKBXEOFQTAQDNE-LSDHHAIUSA-N 1 3 305.426 0.558 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC000987520408 662685377 /nfs/dbraw/zinc/68/53/77/662685377.db2.gz RZWJHSVMXVGNCO-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988963490 662873881 /nfs/dbraw/zinc/87/38/81/662873881.db2.gz XANPNUHJBYGPNJ-ZFWWWQNUSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729620099 662905938 /nfs/dbraw/zinc/90/59/38/662905938.db2.gz VCPXYAGDQGAWEP-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729620099 662905939 /nfs/dbraw/zinc/90/59/39/662905939.db2.gz VCPXYAGDQGAWEP-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000989389197 662908694 /nfs/dbraw/zinc/90/86/94/662908694.db2.gz JFXCYSZQJLDDRQ-SMDDNHRTSA-N 1 3 320.441 0.534 20 0 DCADHO C[C@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391407 662909622 /nfs/dbraw/zinc/90/96/22/662909622.db2.gz RYFYKPKHLGAMDJ-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490838 662953287 /nfs/dbraw/zinc/95/32/87/662953287.db2.gz BEWWNBLVZJGFFR-DOMZBBRYSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000989492003 662953371 /nfs/dbraw/zinc/95/33/71/662953371.db2.gz LATCASFRIGEZQI-IUODEOHRSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCN1C ZINC000925322500 662959228 /nfs/dbraw/zinc/95/92/28/662959228.db2.gz FZHDPKGDLLTWES-ZFWWWQNUSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCN1C ZINC000925322500 662959229 /nfs/dbraw/zinc/95/92/29/662959229.db2.gz FZHDPKGDLLTWES-ZFWWWQNUSA-N 1 3 312.458 0.567 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC000989682876 662971481 /nfs/dbraw/zinc/97/14/81/662971481.db2.gz KJPSZUGWFQMIBZ-DGCLKSJQSA-N 1 3 318.425 0.288 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCn2cccn2)CN1C(=O)CN1CCCC1 ZINC000989796164 662979873 /nfs/dbraw/zinc/97/98/73/662979873.db2.gz ICQXHYYGMNZUKO-HUUCEWRRSA-N 1 3 305.426 0.558 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)CN1C(=O)CN1CCCC1 ZINC000989796515 662980325 /nfs/dbraw/zinc/98/03/25/662980325.db2.gz NFXRVRHWUHJNAE-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)CCn1nccc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000900574301 663256173 /nfs/dbraw/zinc/25/61/73/663256173.db2.gz HZGAKYVEEKBAQE-UHFFFAOYSA-N 1 3 307.442 0.859 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901132390 663323590 /nfs/dbraw/zinc/32/35/90/663323590.db2.gz DNLNFFKUTBSPLC-AWEZNQCLSA-N 1 3 323.441 0.021 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000916897 665960336 /nfs/dbraw/zinc/96/03/36/665960336.db2.gz JUNXHMAFDJCWFW-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000916897 665960337 /nfs/dbraw/zinc/96/03/37/665960337.db2.gz JUNXHMAFDJCWFW-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)nc[n-]1 ZINC000902504041 663416491 /nfs/dbraw/zinc/41/64/91/663416491.db2.gz ZTPYVPUAGWCFLM-DGAVXFQQSA-N 1 3 303.410 0.739 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CN2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000903441422 663454723 /nfs/dbraw/zinc/45/47/23/663454723.db2.gz RKEQRSWJZYTYLW-JKSUJKDBSA-N 1 3 308.470 0.744 20 0 DCADHO CCOC(=O)C1=C(CN2C[C@@H](C)[C@H](CC[NH3+])C2)NC(=O)N[C@@H]1C ZINC000903499249 663456978 /nfs/dbraw/zinc/45/69/78/663456978.db2.gz LGWDLBXMBIHOOM-IJLUTSLNSA-N 1 3 324.425 0.422 20 0 DCADHO O=C([C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1)N1CCOCC1 ZINC000903723203 663475112 /nfs/dbraw/zinc/47/51/12/663475112.db2.gz FRYRFDDEXORGLK-CVEARBPZSA-N 1 3 309.454 0.947 20 0 DCADHO O=C1NCCN1[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903725838 663475186 /nfs/dbraw/zinc/47/51/86/663475186.db2.gz ICYISMCXWHPLHZ-IIAWOOMASA-N 1 3 308.426 0.245 20 0 DCADHO Cn1nnnc1C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780514 663484187 /nfs/dbraw/zinc/48/41/87/663484187.db2.gz HUNJPSKHWMARGV-HIFRSBDPSA-N 1 3 306.414 0.158 20 0 DCADHO CC(C)[C@H]1CN(C)CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903903554 663494264 /nfs/dbraw/zinc/49/42/64/663494264.db2.gz VOUKESBUPWITNB-GDBMZVCRSA-N 1 3 306.458 0.975 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCN(C[C@H](C)O)C[C@H]2C)cnn1C ZINC000903927354 663496037 /nfs/dbraw/zinc/49/60/37/663496037.db2.gz RFKGAZGMAOXDGL-IJEWVQPXSA-N 1 3 323.485 0.233 20 0 DCADHO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@@H]21 ZINC000903986116 663499763 /nfs/dbraw/zinc/49/97/63/663499763.db2.gz FWPDOFRXOCGDST-KNCOVGOOSA-N 1 3 323.437 0.315 20 0 DCADHO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@@H]21 ZINC000903986116 663499766 /nfs/dbraw/zinc/49/97/66/663499766.db2.gz FWPDOFRXOCGDST-KNCOVGOOSA-N 1 3 323.437 0.315 20 0 DCADHO CSCC[C@H](N)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331932 668603119 /nfs/dbraw/zinc/60/31/19/668603119.db2.gz SVGJKMCADMSMSC-RYUDHWBXSA-N 1 3 301.456 0.342 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906679921 663630939 /nfs/dbraw/zinc/63/09/39/663630939.db2.gz OBCQSBGPNAMVEW-ZDUSSCGKSA-N 1 3 304.394 0.636 20 0 DCADHO CC(C)[C@@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)N(C)C ZINC000909318097 663792547 /nfs/dbraw/zinc/79/25/47/663792547.db2.gz CTQUWSLBVWALKE-HNNXBMFYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])N1CCCCC1 ZINC000910946704 663961457 /nfs/dbraw/zinc/96/14/57/663961457.db2.gz PNPGLOWYWUINQV-JKIFEVAISA-N 1 3 322.453 0.317 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911056037 663973306 /nfs/dbraw/zinc/97/33/06/663973306.db2.gz SPEXVUCMCXKHIQ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911030398 663973881 /nfs/dbraw/zinc/97/38/81/663973881.db2.gz VRYAEVUOKASXIJ-KBXIAJHMSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000911091156 663980878 /nfs/dbraw/zinc/98/08/78/663980878.db2.gz OVKKKLYNADNMMI-ZNMIVQPWSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000911161795 663995855 /nfs/dbraw/zinc/99/58/55/663995855.db2.gz MOWMVFOBPBWNDO-YOEHRIQHSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911531594 664069760 /nfs/dbraw/zinc/06/97/60/664069760.db2.gz IAQTYIHGEFXFJS-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000911532057 664069804 /nfs/dbraw/zinc/06/98/04/664069804.db2.gz JPUVDDBGZRVPKC-CQSZACIVSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C[C@@H]1C[NH3+] ZINC000911533728 664070618 /nfs/dbraw/zinc/07/06/18/664070618.db2.gz QMQHIKLNIRLQAN-KBPBESRZSA-N 1 3 324.469 0.278 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC000911663820 664096042 /nfs/dbraw/zinc/09/60/42/664096042.db2.gz HAEKUEJNRAPSHY-TZMCWYRMSA-N 1 3 321.421 0.955 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NC[C@@H]3CCC[NH2+]3)ccc2NC1=O ZINC000911751644 664105893 /nfs/dbraw/zinc/10/58/93/664105893.db2.gz NSCISCTVSHMMML-QWHCGFSZSA-N 1 3 302.378 0.380 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC000911774341 664107193 /nfs/dbraw/zinc/10/71/93/664107193.db2.gz KBPZVPPEDYSRKI-BXUZGUMPSA-N 1 3 316.405 0.580 20 0 DCADHO O=C(N[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008453 664647460 /nfs/dbraw/zinc/64/74/60/664647460.db2.gz CWIUKAXRVYFYOU-NUJGCVRESA-N 1 3 321.465 0.966 20 0 DCADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008453 664647461 /nfs/dbraw/zinc/64/74/61/664647461.db2.gz CWIUKAXRVYFYOU-NUJGCVRESA-N 1 3 321.465 0.966 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(CCOC)C1 ZINC000730732833 664803884 /nfs/dbraw/zinc/80/38/84/664803884.db2.gz DUHGHOYSMTVFRC-UONOGXRCSA-N 1 3 314.499 0.656 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(CCOC)C1 ZINC000730732833 664803886 /nfs/dbraw/zinc/80/38/86/664803886.db2.gz DUHGHOYSMTVFRC-UONOGXRCSA-N 1 3 314.499 0.656 20 0 DCADHO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000732412952 664924323 /nfs/dbraw/zinc/92/43/23/664924323.db2.gz NNNKMPLDGFJFPU-HOTGVXAUSA-N 1 3 309.454 0.920 20 0 DCADHO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000732412952 664924326 /nfs/dbraw/zinc/92/43/26/664924326.db2.gz NNNKMPLDGFJFPU-HOTGVXAUSA-N 1 3 309.454 0.920 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938318258 665335071 /nfs/dbraw/zinc/33/50/71/665335071.db2.gz BWLBTBWUBVJGBE-STQMWFEESA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938318258 665335075 /nfs/dbraw/zinc/33/50/75/665335075.db2.gz BWLBTBWUBVJGBE-STQMWFEESA-N 1 3 319.409 0.011 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000998083509 665397320 /nfs/dbraw/zinc/39/73/20/665397320.db2.gz VOTNIYMTOYPQEH-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1)N(C)C ZINC000941570880 666021098 /nfs/dbraw/zinc/02/10/98/666021098.db2.gz GPBMNAXWHITMBO-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO CC[C@H](C)CN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665976 666040813 /nfs/dbraw/zinc/04/08/13/666040813.db2.gz LQVZPPHHFQMDES-HOTGVXAUSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@H](C)CN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665976 666040814 /nfs/dbraw/zinc/04/08/14/666040814.db2.gz LQVZPPHHFQMDES-HOTGVXAUSA-N 1 3 322.497 0.813 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001032186357 666395291 /nfs/dbraw/zinc/39/52/91/666395291.db2.gz OWCOXJXXNFDSHQ-GJZGRUSLSA-N 1 3 309.454 0.801 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001032186357 666395293 /nfs/dbraw/zinc/39/52/93/666395293.db2.gz OWCOXJXXNFDSHQ-GJZGRUSLSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]3CC2)C1 ZINC000946779841 666651766 /nfs/dbraw/zinc/65/17/66/666651766.db2.gz UHRBOLLIGXFNLD-YESZJQIVSA-N 1 3 323.481 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]3CC2)C1 ZINC000946779841 666651767 /nfs/dbraw/zinc/65/17/67/666651767.db2.gz UHRBOLLIGXFNLD-YESZJQIVSA-N 1 3 323.481 0.881 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995913224 666721377 /nfs/dbraw/zinc/72/13/77/666721377.db2.gz GSLUZBRBVOMFIX-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995913224 666721379 /nfs/dbraw/zinc/72/13/79/666721379.db2.gz GSLUZBRBVOMFIX-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC000996129315 666742765 /nfs/dbraw/zinc/74/27/65/666742765.db2.gz VZPQFZDEAGJVJE-STQMWFEESA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996220815 666752045 /nfs/dbraw/zinc/75/20/45/666752045.db2.gz FURSYTXRYVGMMO-WCQYABFASA-N 1 3 310.442 0.029 20 0 DCADHO CN(C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1CCN(CCO)CC1 ZINC001005388555 666839983 /nfs/dbraw/zinc/83/99/83/666839983.db2.gz AOANROHJWSXIAT-GDBMZVCRSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CCN(CCO)CC1 ZINC001005388555 666839985 /nfs/dbraw/zinc/83/99/85/666839985.db2.gz AOANROHJWSXIAT-GDBMZVCRSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C)C(N)=O ZINC000996673185 666854566 /nfs/dbraw/zinc/85/45/66/666854566.db2.gz SCRMNAZVRSMQIK-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1)C1CC1 ZINC000996680024 666858625 /nfs/dbraw/zinc/85/86/25/666858625.db2.gz RZJWVHBFGJRLCO-MRXNPFEDSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC000996679118 666858871 /nfs/dbraw/zinc/85/88/71/666858871.db2.gz PYFKJWGRPOKKSS-KBPBESRZSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC000996679128 666858969 /nfs/dbraw/zinc/85/89/69/666858969.db2.gz PYFKJWGRPOKKSS-ZIAGYGMSSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1)N(C)C ZINC000996721559 666878087 /nfs/dbraw/zinc/87/80/87/666878087.db2.gz YXKHVFUUQMXVLK-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000861571619 666945925 /nfs/dbraw/zinc/94/59/25/666945925.db2.gz FYCDBEANTAOZLI-MJBXVCDLSA-N 1 3 308.426 0.433 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000861644034 666953134 /nfs/dbraw/zinc/95/31/34/666953134.db2.gz UCQGAAXBWYOPTJ-MRXNPFEDSA-N 1 3 320.437 0.751 20 0 DCADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000861643595 666953359 /nfs/dbraw/zinc/95/33/59/666953359.db2.gz IDMRNJIJJFJBOJ-HNNXBMFYSA-N 1 3 306.410 0.409 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996994359 667060331 /nfs/dbraw/zinc/06/03/31/667060331.db2.gz HNKAWKJXYMXILF-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996995734 667061940 /nfs/dbraw/zinc/06/19/40/667061940.db2.gz PSJNMJSXCJCJOP-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996995734 667061942 /nfs/dbraw/zinc/06/19/42/667061942.db2.gz PSJNMJSXCJCJOP-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996997672 667063260 /nfs/dbraw/zinc/06/32/60/667063260.db2.gz FJMZCOUDOCTKES-CQSZACIVSA-N 1 3 320.441 0.343 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996997852 667063504 /nfs/dbraw/zinc/06/35/04/667063504.db2.gz HXGGAIQUNWTQQD-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCn3cncn3)CC2)C1 ZINC000997007156 667069420 /nfs/dbraw/zinc/06/94/20/667069420.db2.gz OZDFOAGYKWEPTE-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997035864 667084801 /nfs/dbraw/zinc/08/48/01/667084801.db2.gz JDZWRUHLEUXNFU-UHFFFAOYSA-N 1 3 302.382 0.430 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034658801 667094018 /nfs/dbraw/zinc/09/40/18/667094018.db2.gz GXRPPFKSCWCDOI-TUVASFSCSA-N 1 3 324.469 0.752 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034749137 667132387 /nfs/dbraw/zinc/13/23/87/667132387.db2.gz HGSPCYLEDRYFEB-KKUMJFAQSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1)C(N)=O ZINC000997114715 667142429 /nfs/dbraw/zinc/14/24/29/667142429.db2.gz FYTPBLDLUXCTTC-ZDUSSCGKSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1)C(N)=O ZINC001034786689 667145564 /nfs/dbraw/zinc/14/55/64/667145564.db2.gz RDYIGMKQNJHNQM-JHJVBQTASA-N 1 3 321.425 0.542 20 0 DCADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nonc1C ZINC000736672216 667222623 /nfs/dbraw/zinc/22/26/23/667222623.db2.gz JQBAGPCIVJJOCK-ZDUSSCGKSA-N 1 3 309.414 0.866 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001035051191 667229727 /nfs/dbraw/zinc/22/97/27/667229727.db2.gz LAERVJLUNCRIEN-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001035100435 667239018 /nfs/dbraw/zinc/23/90/18/667239018.db2.gz ATEWITUFDGHORF-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001035100435 667239020 /nfs/dbraw/zinc/23/90/20/667239020.db2.gz ATEWITUFDGHORF-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO O=C1OC[C@]2(C[NH2+]C3CCN(CC4CC4)CC3)COCCN12 ZINC000866519959 667379454 /nfs/dbraw/zinc/37/94/54/667379454.db2.gz YTBJWPAGKZWOAB-INIZCTEOSA-N 1 3 309.410 0.672 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cncn1C ZINC001036208725 667429935 /nfs/dbraw/zinc/42/99/35/667429935.db2.gz XBFXJFWVVOPHIV-IUODEOHRSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1[NH2+]Cc1cnns1 ZINC001036293032 667434496 /nfs/dbraw/zinc/43/44/96/667434496.db2.gz FKEGMZCNOZQELY-OCCSQVGLSA-N 1 3 323.466 0.961 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@@H](O)COc1ccccc1F ZINC000923286977 667496284 /nfs/dbraw/zinc/49/62/84/667496284.db2.gz RTFIEITXICHWRA-CQSZACIVSA-N 1 3 311.401 0.402 20 0 DCADHO COCC[C@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000884202054 667497191 /nfs/dbraw/zinc/49/71/91/667497191.db2.gz OXUOWTIXIZKMIE-AWEZNQCLSA-N 1 3 309.410 0.607 20 0 DCADHO O[C@H](COc1ccccc1F)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923364613 667516625 /nfs/dbraw/zinc/51/66/25/667516625.db2.gz BZBIJTFQMHNELH-CABCVRRESA-N 1 3 323.412 0.545 20 0 DCADHO NCc1cn([C@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC000923374827 667519780 /nfs/dbraw/zinc/51/97/80/667519780.db2.gz CYOSFRXTANESRE-DLBZAZTESA-N 1 3 315.421 0.977 20 0 DCADHO NCc1cn([C@H]2CCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC000923374827 667519781 /nfs/dbraw/zinc/51/97/81/667519781.db2.gz CYOSFRXTANESRE-DLBZAZTESA-N 1 3 315.421 0.977 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923496482 667545863 /nfs/dbraw/zinc/54/58/63/667545863.db2.gz ADRPYYLYOCHZPF-GXTWGEPZSA-N 1 3 311.426 0.315 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000884442347 667546148 /nfs/dbraw/zinc/54/61/48/667546148.db2.gz BZUJBQJVANLIBQ-AWEZNQCLSA-N 1 3 313.442 0.454 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1(C)C ZINC000868404813 667566599 /nfs/dbraw/zinc/56/65/99/667566599.db2.gz GOTXEJOQLXUUOP-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@H]1[NH3+] ZINC000868406496 667566996 /nfs/dbraw/zinc/56/69/96/667566996.db2.gz NMVYNKDUBGJPCE-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO CCN(C(=O)C(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000884576173 667569396 /nfs/dbraw/zinc/56/93/96/667569396.db2.gz BIJKHFDXPXCWHC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[C@@H](N2CCCC2)C1 ZINC000868420103 667570378 /nfs/dbraw/zinc/57/03/78/667570378.db2.gz UIPKELWQQLAULV-ILXRZTDVSA-N 1 3 320.437 0.036 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C1=CCN(C)CC1 ZINC000884623625 667578139 /nfs/dbraw/zinc/57/81/39/667578139.db2.gz JTMPGYLWVAECFJ-YDHLFZDLSA-N 1 3 322.453 0.387 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631276 667579734 /nfs/dbraw/zinc/57/97/34/667579734.db2.gz FLLQJYZHHCCMQJ-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000884631606 667579841 /nfs/dbraw/zinc/57/98/41/667579841.db2.gz PWTRAFAWGWKUFU-AWEZNQCLSA-N 1 3 322.453 0.317 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884664890 667584612 /nfs/dbraw/zinc/58/46/12/667584612.db2.gz XMTBQANZOXPHIT-MJBXVCDLSA-N 1 3 322.453 0.186 20 0 DCADHO CN1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CCC1(C)C ZINC000884722858 667600240 /nfs/dbraw/zinc/60/02/40/667600240.db2.gz NWNXXCZZPGDRQS-UHFFFAOYSA-N 1 3 322.453 0.355 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCC1(C)C ZINC000884909115 667621878 /nfs/dbraw/zinc/62/18/78/667621878.db2.gz PQVHFQMQYCCWNH-HDJSIYSDSA-N 1 3 324.469 0.563 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872146679 667867926 /nfs/dbraw/zinc/86/79/26/667867926.db2.gz USOMSJGAWJXMEZ-ZQDZILKHSA-N 1 3 321.421 0.813 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@@H]([C@H]3CCCO3)C2)C1=O ZINC000887306138 667867992 /nfs/dbraw/zinc/86/79/92/667867992.db2.gz KGQWCEZTUPYOJC-QLFBSQMISA-N 1 3 323.437 0.567 20 0 DCADHO O=C1COC[C@]2(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)COCCN12 ZINC000873266869 668070493 /nfs/dbraw/zinc/07/04/93/668070493.db2.gz RSAOABHUAHDJTQ-MPTYRVRUSA-N 1 3 323.437 0.125 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(CCC[N@H+](C)Cc2ccccc2)C1=O ZINC000924453079 668208097 /nfs/dbraw/zinc/20/80/97/668208097.db2.gz XOQHEYAAXSINFI-OAHLLOKOSA-N 1 3 318.421 0.991 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(CCC[N@@H+](C)Cc2ccccc2)C1=O ZINC000924453079 668208100 /nfs/dbraw/zinc/20/81/00/668208100.db2.gz XOQHEYAAXSINFI-OAHLLOKOSA-N 1 3 318.421 0.991 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCN1C ZINC000925322678 668296797 /nfs/dbraw/zinc/29/67/97/668296797.db2.gz ALLFJXAFSRNGFD-HIFRSBDPSA-N 1 3 312.458 0.831 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000875459340 668325360 /nfs/dbraw/zinc/32/53/60/668325360.db2.gz ACRQKGCAODUCIA-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000875459340 668325365 /nfs/dbraw/zinc/32/53/65/668325365.db2.gz ACRQKGCAODUCIA-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1COC[C@@H]1N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925935926 668357486 /nfs/dbraw/zinc/35/74/86/668357486.db2.gz GXUDZMFXOGTXKI-PVAVHDDUSA-N 1 3 319.449 0.900 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O ZINC000926739851 668426431 /nfs/dbraw/zinc/42/64/31/668426431.db2.gz NFNZJFHQCIYGSM-YWDIDHNDSA-N 1 3 305.426 0.589 20 0 DCADHO C[C@H]1CN(CCCN2CCOC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764464381 668448859 /nfs/dbraw/zinc/44/88/59/668448859.db2.gz CFCYPRVVEIGXSZ-JKSUJKDBSA-N 1 3 324.469 0.787 20 0 DCADHO CN(C)[C@H](CNC(=O)c1c(C[NH3+])cnn1C)c1ccccc1 ZINC000876708371 668492609 /nfs/dbraw/zinc/49/26/09/668492609.db2.gz ODQAZSFQVZKERU-CQSZACIVSA-N 1 3 301.394 0.912 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876875787 668525574 /nfs/dbraw/zinc/52/55/74/668525574.db2.gz APUORVIOFWRRNR-MELADBBJSA-N 1 3 301.406 0.503 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876878944 668525964 /nfs/dbraw/zinc/52/59/64/668525964.db2.gz DYBISMNAYWDAIL-UKRRQHHQSA-N 1 3 308.401 0.919 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876880955 668527245 /nfs/dbraw/zinc/52/72/45/668527245.db2.gz QZZVKPMDORUJKH-FYCOFBDGSA-N 1 3 308.470 0.638 20 0 DCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876897498 668530930 /nfs/dbraw/zinc/53/09/30/668530930.db2.gz UPZDQFAGINULLW-CJNGLKHVSA-N 1 3 319.453 0.612 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967061 668544448 /nfs/dbraw/zinc/54/44/48/668544448.db2.gz BXNIAQPXDIGLND-SJORKVTESA-N 1 3 318.465 0.651 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967061 668544451 /nfs/dbraw/zinc/54/44/51/668544451.db2.gz BXNIAQPXDIGLND-SJORKVTESA-N 1 3 318.465 0.651 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000876973096 668545154 /nfs/dbraw/zinc/54/51/54/668545154.db2.gz ASKPQBKNDZGCRI-MMUFBJNOSA-N 1 3 307.438 0.768 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000876977858 668546629 /nfs/dbraw/zinc/54/66/29/668546629.db2.gz BFALDTAXLFYEQW-JHJVBQTASA-N 1 3 309.389 0.627 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000877147552 668567251 /nfs/dbraw/zinc/56/72/51/668567251.db2.gz FPBNLUQNZLRHBZ-UHFFFAOYSA-N 1 3 305.426 0.969 20 0 DCADHO O[C@H](CN[C@H]1CCCC[C@@H]1N1CCOCC1)C[NH+]1CCCC1 ZINC000769802240 668662967 /nfs/dbraw/zinc/66/29/67/668662967.db2.gz UAMXFXBKWKCZDT-IKGGRYGDSA-N 1 3 311.470 0.676 20 0 DCADHO CS[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1N(C)C ZINC000878320730 668712254 /nfs/dbraw/zinc/71/22/54/668712254.db2.gz QQHWGJCIFRWFFK-UONOGXRCSA-N 1 3 314.499 0.174 20 0 DCADHO CC(C)OC[C@@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000878326398 668712788 /nfs/dbraw/zinc/71/27/88/668712788.db2.gz ZBRQOBWYWJMRCL-IXDOHACOSA-N 1 3 313.486 0.730 20 0 DCADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](CO)C1CC1)c1ccccc1 ZINC000771821812 668754501 /nfs/dbraw/zinc/75/45/01/668754501.db2.gz VWMDUMSTRVUJHD-HZPDHXFCSA-N 1 3 305.422 0.766 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3COCCO3)CC2)CC1 ZINC000930750566 669075569 /nfs/dbraw/zinc/07/55/69/669075569.db2.gz HNXMVUVAQJSCKX-QGZVFWFLSA-N 1 3 311.470 0.894 20 0 DCADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3COCCO3)CC2)CC1 ZINC000930750566 669075574 /nfs/dbraw/zinc/07/55/74/669075574.db2.gz HNXMVUVAQJSCKX-QGZVFWFLSA-N 1 3 311.470 0.894 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000930948906 669109972 /nfs/dbraw/zinc/10/99/72/669109972.db2.gz KVVJNGGRBUFJQC-OKILXGFUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H](O)CO)C2)ccn1 ZINC000931094307 669133711 /nfs/dbraw/zinc/13/37/11/669133711.db2.gz LYCCZBMQKAVTPL-NVXWUHKLSA-N 1 3 323.437 0.728 20 0 DCADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H](O)CO)C2)ccn1 ZINC000931094307 669133714 /nfs/dbraw/zinc/13/37/14/669133714.db2.gz LYCCZBMQKAVTPL-NVXWUHKLSA-N 1 3 323.437 0.728 20 0 DCADHO C([C@@H]1C[C@@H]2COC[C@H]2O1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284438 669173759 /nfs/dbraw/zinc/17/37/59/669173759.db2.gz SIWGTHSSTIUQGO-HYVNUMGLSA-N 1 3 310.438 0.977 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCCCC1 ZINC000793721988 669738624 /nfs/dbraw/zinc/73/86/24/669738624.db2.gz UAIAATMOAUPCLA-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COCCCN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001692342493 1157951904 /nfs/dbraw/zinc/95/19/04/1157951904.db2.gz SOJDSGCBLVKZMR-UHFFFAOYSA-N 1 3 313.442 0.182 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)c1cccnc1 ZINC000849029063 670752785 /nfs/dbraw/zinc/75/27/85/670752785.db2.gz ZWPRMADDTIPWPR-HUUCEWRRSA-N 1 3 305.426 0.756 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857102335 670882581 /nfs/dbraw/zinc/88/25/81/670882581.db2.gz LGXMVLVZEXBMLY-ZDUSSCGKSA-N 1 3 300.447 0.912 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1cccc(C[NH3+])c1 ZINC000851644169 671003351 /nfs/dbraw/zinc/00/33/51/671003351.db2.gz LHWMCPIDFRWBCM-UHFFFAOYSA-N 1 3 306.410 0.237 20 0 DCADHO CC[C@](C)(O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820073621 671162081 /nfs/dbraw/zinc/16/20/81/671162081.db2.gz BVTVVTVRXTWQBF-ZFWWWQNUSA-N 1 3 302.463 0.719 20 0 DCADHO CC[C@](C)(O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820073621 671162084 /nfs/dbraw/zinc/16/20/84/671162084.db2.gz BVTVVTVRXTWQBF-ZFWWWQNUSA-N 1 3 302.463 0.719 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852861039 671177601 /nfs/dbraw/zinc/17/76/01/671177601.db2.gz YTGTXPXEZPCRCP-NSHDSACASA-N 1 3 306.366 0.799 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@H+](CC)C(C)C)C1 ZINC000830462759 671629214 /nfs/dbraw/zinc/62/92/14/671629214.db2.gz WQUPVLXEZNUTNR-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](CC)C(C)C)C1 ZINC000830462759 671629217 /nfs/dbraw/zinc/62/92/17/671629217.db2.gz WQUPVLXEZNUTNR-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831180426 671657478 /nfs/dbraw/zinc/65/74/78/671657478.db2.gz OIRQUNBYSSIQFU-MGPQQGTHSA-N 1 3 308.426 0.291 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CCO1 ZINC000841997597 671971894 /nfs/dbraw/zinc/97/18/94/671971894.db2.gz ODPTVDYMXDRQGX-APHBMKBZSA-N 1 3 318.421 0.631 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCCCC1 ZINC000842016019 671974683 /nfs/dbraw/zinc/97/46/83/671974683.db2.gz QNUIWBCLIMPVCE-RHSMWYFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N1CCCCC1 ZINC000842016498 671975349 /nfs/dbraw/zinc/97/53/49/671975349.db2.gz WKTZBQADVDYBHZ-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842097850 671982129 /nfs/dbraw/zinc/98/21/29/671982129.db2.gz OGKZKSUSCUWLGO-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001037926669 693968973 /nfs/dbraw/zinc/96/89/73/693968973.db2.gz OSZBXUOUPQUGDW-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954836379 686155058 /nfs/dbraw/zinc/15/50/58/686155058.db2.gz HZDGAZDXIAJCLG-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954836379 686155060 /nfs/dbraw/zinc/15/50/60/686155060.db2.gz HZDGAZDXIAJCLG-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954835766 686155193 /nfs/dbraw/zinc/15/51/93/686155193.db2.gz WJNRRVVXFNNHCN-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954835766 686155195 /nfs/dbraw/zinc/15/51/95/686155195.db2.gz WJNRRVVXFNNHCN-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000956947102 686916969 /nfs/dbraw/zinc/91/69/69/686916969.db2.gz RQVXLGKWZVWEBU-WBMJQRKESA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000956947102 686916971 /nfs/dbraw/zinc/91/69/71/686916971.db2.gz RQVXLGKWZVWEBU-WBMJQRKESA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC2CC(CNCc3ccn(C)n3)C2)C1 ZINC000962308203 688879371 /nfs/dbraw/zinc/87/93/71/688879371.db2.gz BDEZYVWITMGJBH-HLIUYOAVSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNCc3ccn(C)n3)C2)C1 ZINC000962308203 688879375 /nfs/dbraw/zinc/87/93/75/688879375.db2.gz BDEZYVWITMGJBH-HLIUYOAVSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1ncccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962551230 688938554 /nfs/dbraw/zinc/93/85/54/688938554.db2.gz HRGSGAHIPHLYPD-NCOADZHNSA-N 1 3 314.433 0.888 20 0 DCADHO Cc1ncccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962551230 688938555 /nfs/dbraw/zinc/93/85/55/688938555.db2.gz HRGSGAHIPHLYPD-NCOADZHNSA-N 1 3 314.433 0.888 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964436972 689243634 /nfs/dbraw/zinc/24/36/34/689243634.db2.gz IILSCYXQOUIQJR-YMAMQOFZSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000965065025 689348275 /nfs/dbraw/zinc/34/82/75/689348275.db2.gz TUZSXOQZGLGNDY-IZHXIGCISA-N 1 3 309.454 0.869 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000967980343 690141673 /nfs/dbraw/zinc/14/16/73/690141673.db2.gz UHJSKBXKFGLQFU-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000967980343 690141677 /nfs/dbraw/zinc/14/16/77/690141677.db2.gz UHJSKBXKFGLQFU-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968851259 690406277 /nfs/dbraw/zinc/40/62/77/690406277.db2.gz PVOXCQLKWQYXSK-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968851259 690406279 /nfs/dbraw/zinc/40/62/79/690406279.db2.gz PVOXCQLKWQYXSK-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](O)CN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015390414 692283906 /nfs/dbraw/zinc/28/39/06/692283906.db2.gz CRAVHXQLUNMCRW-GDBMZVCRSA-N 1 3 319.449 0.976 20 0 DCADHO CO[C@@H](C)CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015827085 692458593 /nfs/dbraw/zinc/45/85/93/692458593.db2.gz MPDHTSNBVSXSBV-ZFWWWQNUSA-N 1 3 323.441 0.284 20 0 DCADHO C[C@H](O)CN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970861 692528966 /nfs/dbraw/zinc/52/89/66/692528966.db2.gz UQELUBKHYPCPRQ-XJKSGUPXSA-N 1 3 309.454 0.680 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016614289 692731629 /nfs/dbraw/zinc/73/16/29/692731629.db2.gz LWBDAOYIGVLSFR-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001018634506 693170189 /nfs/dbraw/zinc/17/01/89/693170189.db2.gz IAWFXTMFNIISML-LSDHHAIUSA-N 1 3 320.441 0.180 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018866051 693268715 /nfs/dbraw/zinc/26/87/15/693268715.db2.gz PMNJBBAWEQRTED-VNQPRFMTSA-N 1 3 319.453 0.759 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018866051 693268716 /nfs/dbraw/zinc/26/87/16/693268716.db2.gz PMNJBBAWEQRTED-VNQPRFMTSA-N 1 3 319.453 0.759 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001019088577 693350492 /nfs/dbraw/zinc/35/04/92/693350492.db2.gz YLAWXBWVVYBGPU-STQMWFEESA-N 1 3 308.426 0.069 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019169903 693376413 /nfs/dbraw/zinc/37/64/13/693376413.db2.gz PUGWADCNTWVTCS-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC001019231968 693400415 /nfs/dbraw/zinc/40/04/15/693400415.db2.gz BVTRMXPLJKREMP-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001019383334 693455906 /nfs/dbraw/zinc/45/59/06/693455906.db2.gz CDUMUCWXLQHMMR-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3ccnn3C)C2)C1 ZINC001019382680 693456148 /nfs/dbraw/zinc/45/61/48/693456148.db2.gz GZACYQKTEXRXRG-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3ccnn3C)C2)C1 ZINC001019382680 693456152 /nfs/dbraw/zinc/45/61/52/693456152.db2.gz GZACYQKTEXRXRG-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001019394669 693461037 /nfs/dbraw/zinc/46/10/37/693461037.db2.gz MJBKCGOYXZROKG-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CCO)CC2)N(C)C ZINC001040836573 694619639 /nfs/dbraw/zinc/61/96/39/694619639.db2.gz SUFQKJLJKHGNAC-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001072800952 694666962 /nfs/dbraw/zinc/66/69/62/694666962.db2.gz ILRKEPBJYLZHNW-OCCSQVGLSA-N 1 3 321.425 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001072800952 694666965 /nfs/dbraw/zinc/66/69/65/694666965.db2.gz ILRKEPBJYLZHNW-OCCSQVGLSA-N 1 3 321.425 0.257 20 0 DCADHO COC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072814344 694669434 /nfs/dbraw/zinc/66/94/34/694669434.db2.gz AMUNNVNIGYXDKZ-HIFRSBDPSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072814344 694669436 /nfs/dbraw/zinc/66/94/36/694669436.db2.gz AMUNNVNIGYXDKZ-HIFRSBDPSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983507 694691181 /nfs/dbraw/zinc/69/11/81/694691181.db2.gz YOHBKZZGZCWYBV-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO COC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983507 694691182 /nfs/dbraw/zinc/69/11/82/694691182.db2.gz YOHBKZZGZCWYBV-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073599956 694749742 /nfs/dbraw/zinc/74/97/42/694749742.db2.gz SPLYKTQCCHRORM-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073599956 694749743 /nfs/dbraw/zinc/74/97/43/694749743.db2.gz SPLYKTQCCHRORM-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001075154837 694940185 /nfs/dbraw/zinc/94/01/85/694940185.db2.gz BWJIUXDOGOIWDC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCn2cccn2)C1)N(C)C ZINC001570578576 1162548384 /nfs/dbraw/zinc/54/83/84/1162548384.db2.gz YHFIMCXZPGZJBJ-NRXISQOPSA-N 1 3 307.442 0.708 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCO)[C@@H]2C1 ZINC001571514043 1162790411 /nfs/dbraw/zinc/79/04/11/1162790411.db2.gz ZRKGIJCVLPNCPL-XHSDSOJGSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001691476699 1157790138 /nfs/dbraw/zinc/79/01/38/1157790138.db2.gz PBTFZCBOVZZMTO-KBPBESRZSA-N 1 3 320.441 0.155 20 0 DCADHO CN1CCC(O)(C[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000397490231 1158100756 /nfs/dbraw/zinc/10/07/56/1158100756.db2.gz HWRIWRCZWXOMRA-OAHLLOKOSA-N 1 3 319.405 0.344 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001648970654 1158209146 /nfs/dbraw/zinc/20/91/46/1158209146.db2.gz SQNFMNLZNGZSGB-PNBKFKSVSA-N 1 3 307.438 0.888 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001649008494 1158417696 /nfs/dbraw/zinc/41/76/96/1158417696.db2.gz VCNKISOTMOYKRY-MJBXVCDLSA-N 1 3 315.483 0.812 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001687482143 1158645930 /nfs/dbraw/zinc/64/59/30/1158645930.db2.gz JVGCDQBPXVQVGA-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001687482143 1158645933 /nfs/dbraw/zinc/64/59/33/1158645933.db2.gz JVGCDQBPXVQVGA-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001419392069 1159252416 /nfs/dbraw/zinc/25/24/16/1159252416.db2.gz QJWBENQQALSBBZ-RBSFLKMASA-N 1 3 324.469 0.574 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001446450252 1159420451 /nfs/dbraw/zinc/42/04/51/1159420451.db2.gz DWQRGQUEQRORBD-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001446450252 1159420453 /nfs/dbraw/zinc/42/04/53/1159420453.db2.gz DWQRGQUEQRORBD-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NCC1CCC1 ZINC001447552365 1159658311 /nfs/dbraw/zinc/65/83/11/1159658311.db2.gz WZFILEOENHMVOZ-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C(C)C ZINC001456798772 1159763017 /nfs/dbraw/zinc/76/30/17/1159763017.db2.gz DSWRGUPXWGTMJJ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C(C)C ZINC001456798772 1159763023 /nfs/dbraw/zinc/76/30/23/1159763023.db2.gz DSWRGUPXWGTMJJ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cc(CN)oc1C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116849 1159815529 /nfs/dbraw/zinc/81/55/29/1159815529.db2.gz SHQHUZGRYRCHQM-ZDUSSCGKSA-N 1 3 306.410 0.509 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)n1 ZINC001567023505 1160212342 /nfs/dbraw/zinc/21/23/42/1160212342.db2.gz VVDHZUVRPQYSCA-LBPRGKRZSA-N 1 3 323.441 0.889 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001569213818 1160982354 /nfs/dbraw/zinc/98/23/54/1160982354.db2.gz MVJRDCSXPSLHOT-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO Nc1ccnc2c1CN(S(=O)(=O)C[C@H]1CCCC[NH2+]1)CC2 ZINC001574291580 1163683763 /nfs/dbraw/zinc/68/37/63/1163683763.db2.gz JVFCTUQSMARRJT-LLVKDONJSA-N 1 3 310.423 0.494 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001575139566 1163914210 /nfs/dbraw/zinc/91/42/10/1163914210.db2.gz NCEXPKBHSYDCFP-LSDHHAIUSA-N 1 3 323.485 0.548 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)CC[N@H+](C)CC ZINC001575341926 1163983215 /nfs/dbraw/zinc/98/32/15/1163983215.db2.gz WFPTZFMDNXITRE-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)CC[N@@H+](C)CC ZINC001575341926 1163983221 /nfs/dbraw/zinc/98/32/21/1163983221.db2.gz WFPTZFMDNXITRE-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](CCCNCc1cn[nH]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575532362 1164050584 /nfs/dbraw/zinc/05/05/84/1164050584.db2.gz YPEZTHNAOBEWEH-IUODEOHRSA-N 1 3 320.441 0.521 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCc1c[nH]nn1)[NH+]1CCCC1 ZINC001575556596 1164058817 /nfs/dbraw/zinc/05/88/17/1164058817.db2.gz ZOUBPDQJWYAPDV-DZGCQCFKSA-N 1 3 322.457 0.862 20 0 DCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001575557413 1164059934 /nfs/dbraw/zinc/05/99/34/1164059934.db2.gz AASSBFZGJITESY-LSDHHAIUSA-N 1 3 324.469 0.691 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1)CN1CCN(C)CC1 ZINC001576016737 1164211971 /nfs/dbraw/zinc/21/19/71/1164211971.db2.gz ATZZGTZWSACCAK-UONOGXRCSA-N 1 3 311.474 0.249 20 0 DCADHO C[C@H](CNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1)CN1CCN(C)CC1 ZINC001576016738 1164213356 /nfs/dbraw/zinc/21/33/56/1164213356.db2.gz ATZZGTZWSACCAK-ZIAGYGMSSA-N 1 3 311.474 0.249 20 0 DCADHO CCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC001576511258 1164370983 /nfs/dbraw/zinc/37/09/83/1164370983.db2.gz ZKGYZAYUMKWQOF-HNNXBMFYSA-N 1 3 322.457 0.612 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)CN1Cc1ccccc1 ZINC001576614217 1164413649 /nfs/dbraw/zinc/41/36/49/1164413649.db2.gz ACRUSRQWWRWUFV-SPCOIHFJSA-N 1 3 317.433 0.865 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[C@@](C)(O)C2CC2)CC2(CC[NH2+]CC2)O1 ZINC001576799941 1164468221 /nfs/dbraw/zinc/46/82/21/1164468221.db2.gz DUNKHNCUIYTBMH-FVQBIDKESA-N 1 3 312.454 0.741 20 0 DCADHO C[C@@H]1CN(CCNCc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC001576807091 1164470373 /nfs/dbraw/zinc/47/03/73/1164470373.db2.gz NBHBLJGUNWLDKZ-KGLIPLIRSA-N 1 3 308.430 0.013 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cn[nH]n3)C2)CC[N@@H+]1C ZINC001577186213 1164627839 /nfs/dbraw/zinc/62/78/39/1164627839.db2.gz GGJZTMQNYGMIRN-MLCFOIATSA-N 1 3 306.414 0.129 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3cn[nH]n3)C2)CC[N@H+]1C ZINC001577186213 1164627844 /nfs/dbraw/zinc/62/78/44/1164627844.db2.gz GGJZTMQNYGMIRN-MLCFOIATSA-N 1 3 306.414 0.129 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@H](C(F)(F)F)C[NH2+]2)CC1 ZINC001577778236 1164791097 /nfs/dbraw/zinc/79/10/97/1164791097.db2.gz NQPDMPDSLFPFRJ-RYUDHWBXSA-N 1 3 322.375 0.281 20 0 DCADHO C[NH2+]CCc1ccccc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001578716515 1165090316 /nfs/dbraw/zinc/09/03/16/1165090316.db2.gz VFWPCEMDVRTUPN-CQSZACIVSA-N 1 3 303.406 0.651 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001579375065 1165289963 /nfs/dbraw/zinc/28/99/63/1165289963.db2.gz AVEGPZQHMFWLDN-UONOGXRCSA-N 1 3 315.483 0.826 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001579827632 1165405508 /nfs/dbraw/zinc/40/55/08/1165405508.db2.gz MIDVDXJRLOWBPF-MGPQQGTHSA-N 1 3 305.426 0.938 20 0 DCADHO Cn1ccnc1N1CCN(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001579981451 1165458532 /nfs/dbraw/zinc/45/85/32/1165458532.db2.gz ICKJWELENHQRQM-MZBDJJRSSA-N 1 3 305.426 0.188 20 0 DCADHO NCC12CCC(CC1)[N@@H+]2CCC(=O)NC(=O)NCC(F)(F)F ZINC001580248218 1165548010 /nfs/dbraw/zinc/54/80/10/1165548010.db2.gz UAELLULDLDGJIK-UHFFFAOYSA-N 1 3 322.331 0.720 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@@H]1CCCS(=O)(=O)C1)CC2 ZINC001580257662 1165550249 /nfs/dbraw/zinc/55/02/49/1165550249.db2.gz VSVOGQHCURMFHL-UONOGXRCSA-N 1 3 316.467 0.641 20 0 DCADHO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001580478840 1165616302 /nfs/dbraw/zinc/61/63/02/1165616302.db2.gz GYIYSVVCBIEGGJ-JKQORVJESA-N 1 3 307.438 0.434 20 0 DCADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001580652145 1165673586 /nfs/dbraw/zinc/67/35/86/1165673586.db2.gz RWDZMTKTZDSGOA-JLJPHGGASA-N 1 3 307.438 0.746 20 0 DCADHO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](C[C@]2(O)CCCNC2)C1 ZINC001580722213 1165700991 /nfs/dbraw/zinc/70/09/91/1165700991.db2.gz WBGOQRXSIUOCNU-AEFFLSMTSA-N 1 3 317.433 0.739 20 0 DCADHO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](C[C@]2(O)CCCNC2)C1 ZINC001580722213 1165700998 /nfs/dbraw/zinc/70/09/98/1165700998.db2.gz WBGOQRXSIUOCNU-AEFFLSMTSA-N 1 3 317.433 0.739 20 0 DCADHO O=C1CNC(=O)N1CCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC001580849673 1165736918 /nfs/dbraw/zinc/73/69/18/1165736918.db2.gz FKOMJYDOMJOLNW-ZIAGYGMSSA-N 1 3 308.426 0.782 20 0 DCADHO c1cc(N2CC[NH2+]CC2)oc1CNCCN1CCCOCC1 ZINC001580890421 1165752979 /nfs/dbraw/zinc/75/29/79/1165752979.db2.gz KFMINWZFUZJOCE-UHFFFAOYSA-N 1 3 308.426 0.501 20 0 DCADHO C[C@@H](CC(N)=O)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001645611164 1172073225 /nfs/dbraw/zinc/07/32/25/1172073225.db2.gz HZSBISNZAANGMB-AWEZNQCLSA-N 1 3 304.438 0.788 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)C3([NH3+])CCC3)c2)CC1 ZINC001645864067 1172163097 /nfs/dbraw/zinc/16/30/97/1172163097.db2.gz ZBHVYLDCUMRUHR-UHFFFAOYSA-N 1 3 316.449 0.932 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001646516260 1172410981 /nfs/dbraw/zinc/41/09/81/1172410981.db2.gz HRLZBFRFESLMSZ-NVXWUHKLSA-N 1 3 324.469 0.929 20 0 DCADHO O=C(c1ccc2c(c1)OCCNC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001646742813 1172504956 /nfs/dbraw/zinc/50/49/56/1172504956.db2.gz CQBNTSQMIKWLTM-KRWDZBQOSA-N 1 3 301.390 0.994 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001646809978 1172545569 /nfs/dbraw/zinc/54/55/69/1172545569.db2.gz JANYYEHXYKNPAK-XEZPLFJOSA-N 1 3 319.405 0.469 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)N3CCC(OC4C[NH2+]C4)CC3)cc21 ZINC001646834147 1172556416 /nfs/dbraw/zinc/55/64/16/1172556416.db2.gz WRNZTWSEWKYMQD-CYBMUJFWSA-N 1 3 319.409 0.270 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2n[nH]cc2c1 ZINC001646981879 1172619008 /nfs/dbraw/zinc/61/90/08/1172619008.db2.gz ZKLRPCPXWSQGHI-LBPRGKRZSA-N 1 3 318.425 0.960 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2n[nH]cc2c1 ZINC001646981879 1172619018 /nfs/dbraw/zinc/61/90/18/1172619018.db2.gz ZKLRPCPXWSQGHI-LBPRGKRZSA-N 1 3 318.425 0.960 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001647225648 1172750617 /nfs/dbraw/zinc/75/06/17/1172750617.db2.gz FEOALTFBCPXUNW-AWEZNQCLSA-N 1 3 319.453 0.580 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N(C)C2(C[NH3+])CCOCC2)CN1C1CC1 ZINC001647567223 1172975705 /nfs/dbraw/zinc/97/57/05/1172975705.db2.gz XTZHZXIHIOPELM-STQMWFEESA-N 1 3 310.442 0.761 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001647582473 1172982593 /nfs/dbraw/zinc/98/25/93/1172982593.db2.gz PYGKONDPESUZDO-OCVGTWLNSA-N 1 3 322.453 0.774 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001649851668 1173261011 /nfs/dbraw/zinc/26/10/11/1173261011.db2.gz JFWZIHNQJUAMIA-AGIUHOORSA-N 1 3 301.456 0.422 20 0 DCADHO N[C@H](CC(F)F)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001649856905 1173264125 /nfs/dbraw/zinc/26/41/25/1173264125.db2.gz WNOWUAFMAPFQNI-NWDGAFQWSA-N 1 3 305.369 0.729 20 0 DCADHO O=C(N[C@H]1COC2(CNC2)C1)c1cccn1C1CC[NH2+]CC1 ZINC001650367652 1173596171 /nfs/dbraw/zinc/59/61/71/1173596171.db2.gz VVXZCLDDIALKKG-GFCCVEGCSA-N 1 3 304.394 0.273 20 0 DCADHO O=C(N1CCC2(CC1)CNCCO2)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001650403639 1173624042 /nfs/dbraw/zinc/62/40/42/1173624042.db2.gz WDAFOJIXGJYEAS-WMLDXEAASA-N 1 3 307.438 0.890 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCc2cnn(C)c2)CCC1 ZINC001663981765 1174378454 /nfs/dbraw/zinc/37/84/54/1174378454.db2.gz UMUNMODUJSNGGF-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001664018713 1174385263 /nfs/dbraw/zinc/38/52/63/1174385263.db2.gz ZBSOHITUEBKVHN-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO Cc1cc(CNCCN(C)C(=O)[C@H](C)C[NH+]2CCOCC2)on1 ZINC001664374756 1174426618 /nfs/dbraw/zinc/42/66/18/1174426618.db2.gz QMICTSDPYQPFEB-CYBMUJFWSA-N 1 3 324.425 0.499 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC)N(C)C ZINC001667284067 1174674611 /nfs/dbraw/zinc/67/46/11/1174674611.db2.gz CKKRANALGXELDA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001669206789 1174910209 /nfs/dbraw/zinc/91/02/09/1174910209.db2.gz HOOHCKRJQKHYQG-RGDDUWESSA-N 1 3 324.469 0.505 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001672621469 1175133951 /nfs/dbraw/zinc/13/39/51/1175133951.db2.gz MPVWWKLGUUAULT-HZSPNIEDSA-N 1 3 303.422 0.485 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001672621469 1175133953 /nfs/dbraw/zinc/13/39/53/1175133953.db2.gz MPVWWKLGUUAULT-HZSPNIEDSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001673288624 1175186688 /nfs/dbraw/zinc/18/66/88/1175186688.db2.gz MJBMJJOJQGRBMC-CABCVRRESA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001673288624 1175186689 /nfs/dbraw/zinc/18/66/89/1175186689.db2.gz MJBMJJOJQGRBMC-CABCVRRESA-N 1 3 315.433 0.893 20 0 DCADHO COc1cc(CN(C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001689887435 1177103386 /nfs/dbraw/zinc/10/33/86/1177103386.db2.gz BIXZJTZRUDUIPU-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO COc1cc(CN(C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001689887435 1177103390 /nfs/dbraw/zinc/10/33/90/1177103390.db2.gz BIXZJTZRUDUIPU-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO CC[C@@H](C(N)=O)N(CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001689932728 1177118664 /nfs/dbraw/zinc/11/86/64/1177118664.db2.gz LWMJDMCCWMGYAQ-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)C(=O)NC ZINC001689942538 1177122155 /nfs/dbraw/zinc/12/21/55/1177122155.db2.gz JFGRBYWGQLQIJP-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001690249941 1177197427 /nfs/dbraw/zinc/19/74/27/1177197427.db2.gz QNDHBYKSGHDNIM-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCn1cc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001698840818 1177689195 /nfs/dbraw/zinc/68/91/95/1177689195.db2.gz NASOAWBUSVRRPX-GOEBONIOSA-N 1 3 321.469 0.976 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001699280882 1178024178 /nfs/dbraw/zinc/02/41/78/1178024178.db2.gz ZTNZKJLIPXUTMV-RWCKICOTSA-N 1 3 324.469 0.503 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001699280882 1178024188 /nfs/dbraw/zinc/02/41/88/1178024188.db2.gz ZTNZKJLIPXUTMV-RWCKICOTSA-N 1 3 324.469 0.503 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001699364964 1178104017 /nfs/dbraw/zinc/10/40/17/1178104017.db2.gz SLKJKBMVMLQEBY-GDBMZVCRSA-N 1 3 321.469 0.931 20 0 DCADHO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)ncn1 ZINC001699500318 1178166346 /nfs/dbraw/zinc/16/63/46/1178166346.db2.gz SOTQRYRNGNNWAH-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@H]1CCCN(C)C1=O ZINC001699548359 1178195146 /nfs/dbraw/zinc/19/51/46/1178195146.db2.gz RMZAVWJNXDHOLJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001699763445 1178280223 /nfs/dbraw/zinc/28/02/23/1178280223.db2.gz XVEUZWCZZZEGRQ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001707178891 1180428669 /nfs/dbraw/zinc/42/86/69/1180428669.db2.gz POIZTMNUGMRMRY-UHFFFAOYSA-N 1 3 321.425 0.640 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001720136524 1180539468 /nfs/dbraw/zinc/53/94/68/1180539468.db2.gz YBJQAIBIGUATHF-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001720136524 1180539475 /nfs/dbraw/zinc/53/94/75/1180539475.db2.gz YBJQAIBIGUATHF-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCN2CC[NH+](CC3CC3)CC2)C1 ZINC001713070196 1180663125 /nfs/dbraw/zinc/66/31/25/1180663125.db2.gz DZOQPYZTLILHPP-MRXNPFEDSA-N 1 3 322.497 0.862 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001713350807 1180782089 /nfs/dbraw/zinc/78/20/89/1180782089.db2.gz ZOJOTEQIPYYKSR-GOEBONIOSA-N 1 3 319.453 0.495 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCC(=O)N(C)C)CC1 ZINC001714777482 1181540612 /nfs/dbraw/zinc/54/06/12/1181540612.db2.gz XBGLIHQPRNMVDV-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO Cn1cc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)cn1 ZINC001716277778 1182297642 /nfs/dbraw/zinc/29/76/42/1182297642.db2.gz UKYDYJJCPSRJKN-BWPKMQGJSA-N 1 3 305.426 0.319 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001716297156 1182312462 /nfs/dbraw/zinc/31/24/62/1182312462.db2.gz XLQAMVNLVCRVFS-GSMFTCMCSA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001716297156 1182312465 /nfs/dbraw/zinc/31/24/65/1182312465.db2.gz XLQAMVNLVCRVFS-GSMFTCMCSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CCn3cncn3)C2)C1 ZINC001717389845 1182817006 /nfs/dbraw/zinc/81/70/06/1182817006.db2.gz COCZQVJBTOVCBI-NFOMZHRRSA-N 1 3 320.441 0.104 20 0 DCADHO CCCN(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001721858245 1184083308 /nfs/dbraw/zinc/08/33/08/1184083308.db2.gz FPRZYFNPOFUBBW-GEXIGZQTSA-N 1 3 310.442 0.069 20 0 DCADHO CCCN(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001721858245 1184083315 /nfs/dbraw/zinc/08/33/15/1184083315.db2.gz FPRZYFNPOFUBBW-GEXIGZQTSA-N 1 3 310.442 0.069 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O ZINC001723981952 1184366058 /nfs/dbraw/zinc/36/60/58/1184366058.db2.gz PUTAGTSYHGJJMG-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001724739100 1184540960 /nfs/dbraw/zinc/54/09/60/1184540960.db2.gz PSNCBLGSKYGOJO-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO O=C(N1CCO[C@H](CNC/C=C\Cl)C1)C12CC[NH+](CC1)C2 ZINC001724820762 1184574773 /nfs/dbraw/zinc/57/47/73/1184574773.db2.gz DDBLKGURFRXINM-MAWXDTMDSA-N 1 3 313.829 0.652 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC2(CO[C@H](CNCCF)C2)CC1 ZINC001725350720 1184781865 /nfs/dbraw/zinc/78/18/65/1184781865.db2.gz ZLRQDLJBEHYHCU-AWEZNQCLSA-N 1 3 315.433 0.895 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001725367917 1184788343 /nfs/dbraw/zinc/78/83/43/1184788343.db2.gz FFWFOSHYLYIOBM-JYJNAYRXSA-N 1 3 321.469 0.954 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001725587454 1184899351 /nfs/dbraw/zinc/89/93/51/1184899351.db2.gz IBISEHJPORQIHX-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)CC[NH+](C)C)[C@@H]1CCCN(C)C1=O ZINC001731316343 1185261651 /nfs/dbraw/zinc/26/16/51/1185261651.db2.gz RBTBPKMFUIHIOX-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001731433192 1185331214 /nfs/dbraw/zinc/33/12/14/1185331214.db2.gz LHFDNAAJGGMDEO-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001731433192 1185331223 /nfs/dbraw/zinc/33/12/23/1185331223.db2.gz LHFDNAAJGGMDEO-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+]1CCC(C(=O)NCCC[C@H]2CCCN2CC(N)=O)CC1 ZINC001731754105 1185470151 /nfs/dbraw/zinc/47/01/51/1185470151.db2.gz JPXYCGTZAXIVBQ-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001731898011 1185556341 /nfs/dbraw/zinc/55/63/41/1185556341.db2.gz ILTGHTKGKXOASJ-AWEZNQCLSA-N 1 3 308.430 0.037 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001731944703 1185598062 /nfs/dbraw/zinc/59/80/62/1185598062.db2.gz SQXRNGBKUJCUAH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001731944703 1185598066 /nfs/dbraw/zinc/59/80/66/1185598066.db2.gz SQXRNGBKUJCUAH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCc2cnn(C)c2)CC1 ZINC001731967058 1185613917 /nfs/dbraw/zinc/61/39/17/1185613917.db2.gz UCINRVXVRZWGJR-UHFFFAOYSA-N 1 3 321.469 0.743 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001732872192 1186029284 /nfs/dbraw/zinc/02/92/84/1186029284.db2.gz BDJDFIYBNOWZKU-LRPXVYOUSA-N 1 3 322.453 0.257 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001732872192 1186029287 /nfs/dbraw/zinc/02/92/87/1186029287.db2.gz BDJDFIYBNOWZKU-LRPXVYOUSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@@]1(C[NH2+]CCn2cncn2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001733437773 1186271959 /nfs/dbraw/zinc/27/19/59/1186271959.db2.gz NASHXGGOJQXZCU-HNNXBMFYSA-N 1 3 317.397 0.072 20 0 DCADHO COCCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001734500701 1186667141 /nfs/dbraw/zinc/66/71/41/1186667141.db2.gz LSZDXSSZKMAQAN-CQSZACIVSA-N 1 3 324.425 0.442 20 0 DCADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)Cc1c[nH]cn1 ZINC001737176932 1187273011 /nfs/dbraw/zinc/27/30/11/1187273011.db2.gz ZHYXYWVPNHZTFE-UHFFFAOYSA-N 1 3 319.409 0.013 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)N(C)C ZINC001742424457 1187980554 /nfs/dbraw/zinc/98/05/54/1187980554.db2.gz GGKUGJOKKXGVPE-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)N(C)C ZINC001742424457 1187980557 /nfs/dbraw/zinc/98/05/57/1187980557.db2.gz GGKUGJOKKXGVPE-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001742445492 1187984424 /nfs/dbraw/zinc/98/44/24/1187984424.db2.gz JRXIAJYHEFSTRB-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001742445492 1187984427 /nfs/dbraw/zinc/98/44/27/1187984427.db2.gz JRXIAJYHEFSTRB-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001742878071 1188071146 /nfs/dbraw/zinc/07/11/46/1188071146.db2.gz GREJGCXIDJQQAU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001742878071 1188071151 /nfs/dbraw/zinc/07/11/51/1188071151.db2.gz GREJGCXIDJQQAU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001747228891 1188254624 /nfs/dbraw/zinc/25/46/24/1188254624.db2.gz ZSACWCDEZGNSQR-AATRIKPKSA-N 1 3 322.453 0.213 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCNC1=O ZINC001752182316 1188398376 /nfs/dbraw/zinc/39/83/76/1188398376.db2.gz XFTLFXTZQXRTFL-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCNC1=O ZINC001752182316 1188398379 /nfs/dbraw/zinc/39/83/79/1188398379.db2.gz XFTLFXTZQXRTFL-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)C(N)=O ZINC001752195197 1188400375 /nfs/dbraw/zinc/40/03/75/1188400375.db2.gz BQDBFMBJWLIVSO-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H](C(N)=O)N(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001752259640 1188408525 /nfs/dbraw/zinc/40/85/25/1188408525.db2.gz HXXVTBHZFIACJM-BPLDGKMQSA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@H](C(N)=O)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001752259640 1188408527 /nfs/dbraw/zinc/40/85/27/1188408527.db2.gz HXXVTBHZFIACJM-BPLDGKMQSA-N 1 3 324.469 0.561 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001753795416 1188656643 /nfs/dbraw/zinc/65/66/43/1188656643.db2.gz GHVBJSWFFNGZJG-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001771906058 1190549609 /nfs/dbraw/zinc/54/96/09/1190549609.db2.gz UXDDUUFPCKZXPE-AWEZNQCLSA-N 1 3 320.437 0.023 20 0 DCADHO NC(=O)[C@H]1CCCN1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001771906059 1190550257 /nfs/dbraw/zinc/55/02/57/1190550257.db2.gz UXDDUUFPCKZXPE-CQSZACIVSA-N 1 3 320.437 0.023 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001772074708 1190604150 /nfs/dbraw/zinc/60/41/50/1190604150.db2.gz ALYKVDFWUZTMSM-HOUHCIJLSA-N 1 3 323.485 0.582 20 0 DCADHO C[C@H]1NCCN(C(=O)c2cnn3cc(CC[NH3+])cnc23)[C@H]1C ZINC001772227254 1190636076 /nfs/dbraw/zinc/63/60/76/1190636076.db2.gz QWHTUKFIVHGBQX-MNOVXSKESA-N 1 3 302.382 0.053 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001772292989 1190655118 /nfs/dbraw/zinc/65/51/18/1190655118.db2.gz FWBJZCPCVZOPHC-TZMCWYRMSA-N 1 3 316.405 0.626 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001772294633 1190655895 /nfs/dbraw/zinc/65/58/95/1190655895.db2.gz LFWYKYGLFCRFOB-AWEZNQCLSA-N 1 3 318.421 0.922 20 0 DCADHO CN(C)C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC001772321874 1190662289 /nfs/dbraw/zinc/66/22/89/1190662289.db2.gz GRVYJWPHMMQPDH-LSDHHAIUSA-N 1 3 309.385 0.923 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1 ZINC001106909202 751536924 /nfs/dbraw/zinc/53/69/24/751536924.db2.gz FRWOVRWLTDLUFZ-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1C ZINC001127644257 751602455 /nfs/dbraw/zinc/60/24/55/751602455.db2.gz WZSYDUPUYKQEFZ-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1C ZINC001127644257 751602458 /nfs/dbraw/zinc/60/24/58/751602458.db2.gz WZSYDUPUYKQEFZ-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224875 747025500 /nfs/dbraw/zinc/02/55/00/747025500.db2.gz LSWDRYCBDGJYSC-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC)CC1)N(C)C ZINC001167260931 747045029 /nfs/dbraw/zinc/04/50/29/747045029.db2.gz QOOZTFYPWLCIMW-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001167486760 747287443 /nfs/dbraw/zinc/28/74/43/747287443.db2.gz QAWFJIFNVBHFRG-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676843 747826904 /nfs/dbraw/zinc/82/69/04/747826904.db2.gz ZXKHMVWVUCTEHK-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729342 747843344 /nfs/dbraw/zinc/84/33/44/747843344.db2.gz SWXNTSSEKQBRFA-NFAWXSAZSA-N 1 3 324.425 0.034 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326927 748137236 /nfs/dbraw/zinc/13/72/36/748137236.db2.gz LXCWYRMGPVBZRE-ZDUSSCGKSA-N 1 3 320.441 0.645 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326927 748137238 /nfs/dbraw/zinc/13/72/38/748137238.db2.gz LXCWYRMGPVBZRE-ZDUSSCGKSA-N 1 3 320.441 0.645 20 0 DCADHO C[C@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535904 748848597 /nfs/dbraw/zinc/84/85/97/748848597.db2.gz HFFRPUPUBKAEOJ-XEZPLFJOSA-N 1 3 306.410 0.551 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001086558626 761931389 /nfs/dbraw/zinc/93/13/89/761931389.db2.gz GBCCUUQPQMVKJW-TUVASFSCSA-N 1 3 324.469 0.609 20 0 DCADHO COCCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574655 749679038 /nfs/dbraw/zinc/67/90/38/749679038.db2.gz HZCXKWDYYKORHS-KGLIPLIRSA-N 1 3 323.441 0.284 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077310086 750338997 /nfs/dbraw/zinc/33/89/97/750338997.db2.gz WALQXCYWILCFHY-KCPJHIHWSA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077310086 750339003 /nfs/dbraw/zinc/33/90/03/750339003.db2.gz WALQXCYWILCFHY-KCPJHIHWSA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077310086 750339009 /nfs/dbraw/zinc/33/90/09/750339009.db2.gz WALQXCYWILCFHY-KCPJHIHWSA-N 1 3 318.377 0.144 20 0 DCADHO CCCNCc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098763021 750706917 /nfs/dbraw/zinc/70/69/17/750706917.db2.gz SNIJGMWHZGKVCN-HNNXBMFYSA-N 1 3 322.457 0.893 20 0 DCADHO CCCNCc1cn([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001098763021 750706920 /nfs/dbraw/zinc/70/69/20/750706920.db2.gz SNIJGMWHZGKVCN-HNNXBMFYSA-N 1 3 322.457 0.893 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1)N(C)C ZINC001106313308 751107387 /nfs/dbraw/zinc/10/73/87/751107387.db2.gz WMCGMRUHVUKZEU-RBSFLKMASA-N 1 3 322.457 0.302 20 0 DCADHO COCCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816849 752360112 /nfs/dbraw/zinc/36/01/12/752360112.db2.gz IXPTVZWSDJBDAV-GOEBONIOSA-N 1 3 313.442 0.324 20 0 DCADHO COCCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107816849 752360121 /nfs/dbraw/zinc/36/01/21/752360121.db2.gz IXPTVZWSDJBDAV-GOEBONIOSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001045149221 753061584 /nfs/dbraw/zinc/06/15/84/753061584.db2.gz WAXWYLFLKLYHRK-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)C1 ZINC001078175400 753082137 /nfs/dbraw/zinc/08/21/37/753082137.db2.gz YQDGTVPIGPNWCB-ARFHVFGLSA-N 1 3 309.454 0.680 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@H]2O)C1 ZINC001078175400 753082141 /nfs/dbraw/zinc/08/21/41/753082141.db2.gz YQDGTVPIGPNWCB-ARFHVFGLSA-N 1 3 309.454 0.680 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001045273444 753123497 /nfs/dbraw/zinc/12/34/97/753123497.db2.gz JRKYVZRWMXVMLS-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001045273444 753123502 /nfs/dbraw/zinc/12/35/02/753123502.db2.gz JRKYVZRWMXVMLS-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001045309003 753138327 /nfs/dbraw/zinc/13/83/27/753138327.db2.gz MLMJUGMJDQSTPY-KBPBESRZSA-N 1 3 320.441 0.330 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001045309003 753138332 /nfs/dbraw/zinc/13/83/32/753138332.db2.gz MLMJUGMJDQSTPY-KBPBESRZSA-N 1 3 320.441 0.330 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001045311357 753139952 /nfs/dbraw/zinc/13/99/52/753139952.db2.gz JDERFQRBKORNQD-HOTGVXAUSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001045311357 753139957 /nfs/dbraw/zinc/13/99/57/753139957.db2.gz JDERFQRBKORNQD-HOTGVXAUSA-N 1 3 317.437 0.817 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064673 753458607 /nfs/dbraw/zinc/45/86/07/753458607.db2.gz RMCYXSULTFFDJY-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064673 753458609 /nfs/dbraw/zinc/45/86/09/753458609.db2.gz RMCYXSULTFFDJY-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096106318 753787819 /nfs/dbraw/zinc/78/78/19/753787819.db2.gz UUVMEBVCTBZZEK-OJLVUWQFSA-N 1 3 309.454 0.821 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N[C@]2(C)CCN(CCO)C2)c1 ZINC001046853108 753981391 /nfs/dbraw/zinc/98/13/91/753981391.db2.gz STCNEWYIOWISEX-QGZVFWFLSA-N 1 3 305.422 0.935 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NCc1ccco1 ZINC001168755262 754407643 /nfs/dbraw/zinc/40/76/43/754407643.db2.gz LAQUGDWCHGWTMB-UHFFFAOYSA-N 1 3 324.425 0.334 20 0 DCADHO C[C@@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598753 754426000 /nfs/dbraw/zinc/42/60/00/754426000.db2.gz UTYAMRYXGSMKKA-RDBSUJKOSA-N 1 3 313.417 0.334 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860075 754982952 /nfs/dbraw/zinc/98/29/52/754982952.db2.gz FWVSUFFAVQSZTE-KFWWJZLASA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860075 754982959 /nfs/dbraw/zinc/98/29/59/754982959.db2.gz FWVSUFFAVQSZTE-KFWWJZLASA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862805 754985454 /nfs/dbraw/zinc/98/54/54/754985454.db2.gz AHKUWLOCCMKDHV-OJLVUWQFSA-N 1 3 309.454 0.752 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862805 754985456 /nfs/dbraw/zinc/98/54/56/754985456.db2.gz AHKUWLOCCMKDHV-OJLVUWQFSA-N 1 3 309.454 0.752 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875750 754991312 /nfs/dbraw/zinc/99/13/12/754991312.db2.gz LMPLCKHAMLOMGB-JONQDZQNSA-N 1 3 311.470 0.998 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875750 754991316 /nfs/dbraw/zinc/99/13/16/754991316.db2.gz LMPLCKHAMLOMGB-JONQDZQNSA-N 1 3 311.470 0.998 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001063100622 755104749 /nfs/dbraw/zinc/10/47/49/755104749.db2.gz NOUBBJOQJUSRAX-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001063100622 755104752 /nfs/dbraw/zinc/10/47/52/755104752.db2.gz NOUBBJOQJUSRAX-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049233389 755196470 /nfs/dbraw/zinc/19/64/70/755196470.db2.gz NRJNQLAWVYOCTK-CAOSSQGBSA-N 1 3 309.454 0.632 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049233389 755196472 /nfs/dbraw/zinc/19/64/72/755196472.db2.gz NRJNQLAWVYOCTK-CAOSSQGBSA-N 1 3 309.454 0.632 20 0 DCADHO COCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097079328 755593006 /nfs/dbraw/zinc/59/30/06/755593006.db2.gz JEYCMVDCDXIHRC-FPCVCCKLSA-N 1 3 307.438 0.696 20 0 DCADHO Cn1cc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001052931995 755871629 /nfs/dbraw/zinc/87/16/29/755871629.db2.gz FHWSONFSCLCBLW-HOTGVXAUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001052931995 755871632 /nfs/dbraw/zinc/87/16/32/755871632.db2.gz FHWSONFSCLCBLW-HOTGVXAUSA-N 1 3 319.453 0.843 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079495771 755882262 /nfs/dbraw/zinc/88/22/62/755882262.db2.gz VPENOIHXIFNWCN-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001080018503 756074419 /nfs/dbraw/zinc/07/44/19/756074419.db2.gz YQRVSLVLVAGYGX-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935279 756391568 /nfs/dbraw/zinc/39/15/68/756391568.db2.gz OYQBEPAJVVPYJY-FVQBIDKESA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935279 756391572 /nfs/dbraw/zinc/39/15/72/756391572.db2.gz OYQBEPAJVVPYJY-FVQBIDKESA-N 1 3 319.453 0.351 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001054298381 756428041 /nfs/dbraw/zinc/42/80/41/756428041.db2.gz BZQKHJMAICZUMQ-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699476 756779834 /nfs/dbraw/zinc/77/98/34/756779834.db2.gz YBPCRAMBUFHRTK-ZJIFWQFVSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2OC)CC[N@H+]1C ZINC001081699476 756779837 /nfs/dbraw/zinc/77/98/37/756779837.db2.gz YBPCRAMBUFHRTK-ZJIFWQFVSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082558279 757186046 /nfs/dbraw/zinc/18/60/46/757186046.db2.gz IRQHTYANTDRDFG-MGPQQGTHSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082558279 757186051 /nfs/dbraw/zinc/18/60/51/757186051.db2.gz IRQHTYANTDRDFG-MGPQQGTHSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001082562221 757188205 /nfs/dbraw/zinc/18/82/05/757188205.db2.gz YHHXHMIIWCUURJ-VHDGCEQUSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082784359 757255667 /nfs/dbraw/zinc/25/56/67/757255667.db2.gz RHLQUDCAJWJLLZ-VHDGCEQUSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccccn1 ZINC001082920097 757324157 /nfs/dbraw/zinc/32/41/57/757324157.db2.gz QLVOJKFWVDDGRL-IIAWOOMASA-N 1 3 302.422 0.970 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccccn1 ZINC001082920097 757324165 /nfs/dbraw/zinc/32/41/65/757324165.db2.gz QLVOJKFWVDDGRL-IIAWOOMASA-N 1 3 302.422 0.970 20 0 DCADHO O=C(N[C@H]1CCN(CCCF)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090394054 757393820 /nfs/dbraw/zinc/39/38/20/757393820.db2.gz SKKXRGMJVJCJNA-KBPBESRZSA-N 1 3 313.417 0.526 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001072544150 762558121 /nfs/dbraw/zinc/55/81/21/762558121.db2.gz CCNLMRLOXIQKOH-HNNXBMFYSA-N 1 3 317.437 0.512 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072544150 762558124 /nfs/dbraw/zinc/55/81/24/762558124.db2.gz CCNLMRLOXIQKOH-HNNXBMFYSA-N 1 3 317.437 0.512 20 0 DCADHO COCC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050542231 757820642 /nfs/dbraw/zinc/82/06/42/757820642.db2.gz AXPRALCZWNETOM-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001051348723 758587476 /nfs/dbraw/zinc/58/74/76/758587476.db2.gz LAHISVAPNUWPAI-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CCO1 ZINC001051722836 758894608 /nfs/dbraw/zinc/89/46/08/758894608.db2.gz WDJQMLHNNCYQIG-GYMHETDLSA-N 1 3 323.437 0.075 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073561 759159977 /nfs/dbraw/zinc/15/99/77/759159977.db2.gz IZKDJRSGLRGAKE-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147822837 767851589 /nfs/dbraw/zinc/85/15/89/767851589.db2.gz BLTKIOUSUSKGQE-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573235 759500499 /nfs/dbraw/zinc/50/04/99/759500499.db2.gz WESRVWCFENUCIP-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573235 759500503 /nfs/dbraw/zinc/50/05/03/759500503.db2.gz WESRVWCFENUCIP-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001086102145 759716138 /nfs/dbraw/zinc/71/61/38/759716138.db2.gz LGMSWBVOEMAHGW-LJISPDSOSA-N 1 3 324.469 0.609 20 0 DCADHO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086152363 759770802 /nfs/dbraw/zinc/77/08/02/759770802.db2.gz BOQYRNINODNJLG-CLEAANHHSA-N 1 3 319.449 0.744 20 0 DCADHO CC(C)(C)N1CC[C@@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977601 767891119 /nfs/dbraw/zinc/89/11/19/767891119.db2.gz TXJIETTUNSZSLZ-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086497275 760262345 /nfs/dbraw/zinc/26/23/45/760262345.db2.gz FOZBBUBALPZFJH-KBUPBQIOSA-N 1 3 324.469 0.608 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001123486758 767985912 /nfs/dbraw/zinc/98/59/12/767985912.db2.gz IBWCPVRQTJWBIN-DZGCQCFKSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001123486758 767985915 /nfs/dbraw/zinc/98/59/15/767985915.db2.gz IBWCPVRQTJWBIN-DZGCQCFKSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001123486758 767985918 /nfs/dbraw/zinc/98/59/18/767985918.db2.gz IBWCPVRQTJWBIN-DZGCQCFKSA-N 1 3 322.457 0.515 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768580 761038668 /nfs/dbraw/zinc/03/86/68/761038668.db2.gz BPZUGBALDUBYKI-SCRDCRAPSA-N 1 3 319.409 0.010 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070275562 761160871 /nfs/dbraw/zinc/16/08/71/761160871.db2.gz SMKZFYDOVQMTBY-ZNMIVQPWSA-N 1 3 320.441 0.512 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CCC ZINC001148579007 768020261 /nfs/dbraw/zinc/02/02/61/768020261.db2.gz ZGTXEIGRZHLNRS-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CCC ZINC001148579007 768020265 /nfs/dbraw/zinc/02/02/65/768020265.db2.gz ZGTXEIGRZHLNRS-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001070501099 761279056 /nfs/dbraw/zinc/27/90/56/761279056.db2.gz YWNUQRPHYLYPFY-GOEBONIOSA-N 1 3 319.453 0.808 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737942 768025621 /nfs/dbraw/zinc/02/56/21/768025621.db2.gz KXLNLOOYTCLJNC-INMHGKMJSA-N 1 3 309.454 0.753 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737942 768025624 /nfs/dbraw/zinc/02/56/24/768025624.db2.gz KXLNLOOYTCLJNC-INMHGKMJSA-N 1 3 309.454 0.753 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001070629136 761360678 /nfs/dbraw/zinc/36/06/78/761360678.db2.gz ARIRASCPVNWVMH-KFWWJZLASA-N 1 3 319.453 0.808 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070865372 761477884 /nfs/dbraw/zinc/47/78/84/761477884.db2.gz SIJJWDYBVMCWHD-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070865372 761477889 /nfs/dbraw/zinc/47/78/89/761477889.db2.gz SIJJWDYBVMCWHD-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071254493 761745043 /nfs/dbraw/zinc/74/50/43/761745043.db2.gz HVLOTBRCFCUREJ-CYBMUJFWSA-N 1 3 321.425 0.320 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001086551483 761828462 /nfs/dbraw/zinc/82/84/62/761828462.db2.gz BULRFIGOTAXVGG-KBUPBQIOSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001086551483 761828469 /nfs/dbraw/zinc/82/84/69/761828469.db2.gz BULRFIGOTAXVGG-KBUPBQIOSA-N 1 3 317.437 0.974 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC001129444839 762937137 /nfs/dbraw/zinc/93/71/37/762937137.db2.gz YXGUZDRVRSNWLD-NEPJUHHUSA-N 1 3 305.369 0.457 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCOCC(F)(F)F)C1CCC1 ZINC001129535160 762959922 /nfs/dbraw/zinc/95/99/22/762959922.db2.gz KKOLTROUGDXVRD-UHFFFAOYSA-N 1 3 311.348 0.755 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949672 763055146 /nfs/dbraw/zinc/05/51/46/763055146.db2.gz HKDOKHHQYMENNI-ZFWWWQNUSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949376 763055291 /nfs/dbraw/zinc/05/52/91/763055291.db2.gz BYSQQKREDSTYSV-CABCVRRESA-N 1 3 317.474 0.312 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001129947418 763065462 /nfs/dbraw/zinc/06/54/62/763065462.db2.gz YWYNWOBCLGDTFU-ZDUSSCGKSA-N 1 3 300.447 0.193 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130166612 763158629 /nfs/dbraw/zinc/15/86/29/763158629.db2.gz JHAFOKXMVLZYBZ-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736985 763466824 /nfs/dbraw/zinc/46/68/24/763466824.db2.gz SMPJTPUHJFEYLJ-DZGCQCFKSA-N 1 3 307.442 0.664 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001100457239 763588557 /nfs/dbraw/zinc/58/85/57/763588557.db2.gz VSFLJJJWDDPYOI-RUXDESIVSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NC(C)C)C1 ZINC001100769622 763773634 /nfs/dbraw/zinc/77/36/34/763773634.db2.gz SJQDYAFFFUFLAZ-UHFFFAOYSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](Nc1cncc(OCC[NH+]2CCCC2)n1)[C@H]1CNCCO1 ZINC001170561938 763825031 /nfs/dbraw/zinc/82/50/31/763825031.db2.gz HJSNYDOEGWEFPH-ZIAGYGMSSA-N 1 3 321.425 0.740 20 0 DCADHO C[C@@H](Nc1cncc(N2CCC([NH3+])CC2)n1)[C@H]1CNCCO1 ZINC001170563292 763833120 /nfs/dbraw/zinc/83/31/20/763833120.db2.gz LEBGZHWKTOQQHY-DGCLKSJQSA-N 1 3 306.414 0.193 20 0 DCADHO Cn1nncc1CNC1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100872818 763837935 /nfs/dbraw/zinc/83/79/35/763837935.db2.gz KWCKYECWWRHZKF-IYXRBSQSSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100872818 763837946 /nfs/dbraw/zinc/83/79/46/763837946.db2.gz KWCKYECWWRHZKF-IYXRBSQSSA-N 1 3 320.441 0.141 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2cnnn2CC)C1 ZINC001100901629 763847895 /nfs/dbraw/zinc/84/78/95/763847895.db2.gz FXPVCKYBCKZETB-UHFFFAOYSA-N 1 3 322.457 0.624 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1CC(NCc2cnnn2C)C1 ZINC001100898713 763848145 /nfs/dbraw/zinc/84/81/45/763848145.db2.gz YMZPIVVIFPWXOL-UHFFFAOYSA-N 1 3 322.457 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1CC(NCc2cnnn2C)C1 ZINC001100898713 763848155 /nfs/dbraw/zinc/84/81/55/763848155.db2.gz YMZPIVVIFPWXOL-UHFFFAOYSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)N(C)C ZINC001131790639 764014624 /nfs/dbraw/zinc/01/46/24/764014624.db2.gz ROWCEYBARSNDMO-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@@H](C)O)C[C@@]2(C)C1 ZINC001101285343 764038181 /nfs/dbraw/zinc/03/81/81/764038181.db2.gz ZMXLVUKIFKQMAZ-CPUCHLNUSA-N 1 3 311.470 0.878 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@]2(C)C1 ZINC001101285343 764038189 /nfs/dbraw/zinc/03/81/89/764038189.db2.gz ZMXLVUKIFKQMAZ-CPUCHLNUSA-N 1 3 311.470 0.878 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479118 764478643 /nfs/dbraw/zinc/47/86/43/764478643.db2.gz SQGPLUQPKWWCKY-AWEZNQCLSA-N 1 3 315.433 0.726 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479118 764478645 /nfs/dbraw/zinc/47/86/45/764478645.db2.gz SQGPLUQPKWWCKY-AWEZNQCLSA-N 1 3 315.433 0.726 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(N)=O ZINC001132795761 764654732 /nfs/dbraw/zinc/65/47/32/764654732.db2.gz XSAKDPMQFOYBFJ-GJZGRUSLSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(N)=O ZINC001132795761 764654738 /nfs/dbraw/zinc/65/47/38/764654738.db2.gz XSAKDPMQFOYBFJ-GJZGRUSLSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001132993034 764780548 /nfs/dbraw/zinc/78/05/48/764780548.db2.gz KGCSYNIQIHJFEJ-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)N2CCCCCC2)CC1 ZINC001132992824 764781354 /nfs/dbraw/zinc/78/13/54/764781354.db2.gz GLOJRYUNOQAOEZ-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040129 764798317 /nfs/dbraw/zinc/79/83/17/764798317.db2.gz CBZGSDKITOHHPN-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001133178373 764860062 /nfs/dbraw/zinc/86/00/62/764860062.db2.gz PGQULPKZMFBPDF-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(C)(C)C ZINC001133285747 764905845 /nfs/dbraw/zinc/90/58/45/764905845.db2.gz GWVUPVPOIFHICD-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291779 764909832 /nfs/dbraw/zinc/90/98/32/764909832.db2.gz ZYEOTMKHCNPCBQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001133415858 764956918 /nfs/dbraw/zinc/95/69/18/764956918.db2.gz RIKUFVHZHTUVJY-CQSZACIVSA-N 1 3 310.446 0.187 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133433835 764966516 /nfs/dbraw/zinc/96/65/16/764966516.db2.gz BYSQQKREDSTYSV-HUUCEWRRSA-N 1 3 317.474 0.312 20 0 DCADHO C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396680 765048036 /nfs/dbraw/zinc/04/80/36/765048036.db2.gz DUKQYJAXVZZPQL-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)NCC(C)C)[NH+](CC)CC ZINC001133689991 765095191 /nfs/dbraw/zinc/09/51/91/765095191.db2.gz GGEGWNYFTHNRQP-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCOCC(F)(F)F ZINC001133833744 765163669 /nfs/dbraw/zinc/16/36/69/765163669.db2.gz FLCLMCDGGFZXEM-NSHDSACASA-N 1 3 311.348 0.755 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC001133845743 765178190 /nfs/dbraw/zinc/17/81/90/765178190.db2.gz MNXUIEXUJLANAQ-GOEBONIOSA-N 1 3 311.470 0.975 20 0 DCADHO CCOCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133857009 765184047 /nfs/dbraw/zinc/18/40/47/765184047.db2.gz YXQRBDXXXAHRSC-OAHLLOKOSA-N 1 3 303.422 0.941 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133867410 765192619 /nfs/dbraw/zinc/19/26/19/765192619.db2.gz UFRZVTIVLOUWMG-GJZGRUSLSA-N 1 3 324.469 0.148 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133867410 765192624 /nfs/dbraw/zinc/19/26/24/765192624.db2.gz UFRZVTIVLOUWMG-GJZGRUSLSA-N 1 3 324.469 0.148 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCOCC(F)F)C1 ZINC001133896849 765215271 /nfs/dbraw/zinc/21/52/71/765215271.db2.gz RLYYHQTZTXEUAG-UHFFFAOYSA-N 1 3 307.385 0.706 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1)N(C)C ZINC001133965901 765258524 /nfs/dbraw/zinc/25/85/24/765258524.db2.gz ORVOVNSAFRZGGP-HOCLYGCPSA-N 1 3 323.437 0.472 20 0 DCADHO COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206506 765474516 /nfs/dbraw/zinc/47/45/16/765474516.db2.gz RWBPGBJZEFQYHM-QJPTWQEYSA-N 1 3 323.359 0.563 20 0 DCADHO COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206506 765474519 /nfs/dbraw/zinc/47/45/19/765474519.db2.gz RWBPGBJZEFQYHM-QJPTWQEYSA-N 1 3 323.359 0.563 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1)C1CC1 ZINC001112399457 765524404 /nfs/dbraw/zinc/52/44/04/765524404.db2.gz USCDEETYINDOBC-ZOBUZTSGSA-N 1 3 309.454 0.537 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780805 765671759 /nfs/dbraw/zinc/67/17/59/765671759.db2.gz XBKDIVBVKOXUQT-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093907 765800167 /nfs/dbraw/zinc/80/01/67/765800167.db2.gz VIUPHFDAXQGYIF-HIFRSBDPSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093907 765800176 /nfs/dbraw/zinc/80/01/76/765800176.db2.gz VIUPHFDAXQGYIF-HIFRSBDPSA-N 1 3 305.426 0.643 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC(N)=O)CCCCC1)N(C)C ZINC001115715785 765803143 /nfs/dbraw/zinc/80/31/43/765803143.db2.gz WAPHQDVAXHHJDV-CQSZACIVSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC)CCCCC1)N(C)C ZINC001115733027 765808116 /nfs/dbraw/zinc/80/81/16/765808116.db2.gz ILWAEWCNACGXFS-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC ZINC001135437416 765933299 /nfs/dbraw/zinc/93/32/99/765933299.db2.gz SASAECBVNYPHKA-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC ZINC001135437417 765933702 /nfs/dbraw/zinc/93/37/02/765933702.db2.gz SASAECBVNYPHKA-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001135475978 765950065 /nfs/dbraw/zinc/95/00/65/765950065.db2.gz HNPJPWPFJCWTCF-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135980668 766193560 /nfs/dbraw/zinc/19/35/60/766193560.db2.gz RGMKDZHBILJAAR-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090642238 766410476 /nfs/dbraw/zinc/41/04/76/766410476.db2.gz VXGRKPWANMJPKJ-JKSUJKDBSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](O)C1 ZINC001090828973 766647312 /nfs/dbraw/zinc/64/73/12/766647312.db2.gz VSBUJXZHHOYNCV-HZPDHXFCSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](O)C1 ZINC001090828973 766647314 /nfs/dbraw/zinc/64/73/14/766647314.db2.gz VSBUJXZHHOYNCV-HZPDHXFCSA-N 1 3 305.422 0.933 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCO[C@H](C(F)(F)F)C1 ZINC001160706039 767038879 /nfs/dbraw/zinc/03/88/79/767038879.db2.gz VTIPEBYMNLPDPH-QWRGUYRKSA-N 1 3 321.343 0.650 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCO[C@H](C(F)(F)F)C1 ZINC001160706039 767038887 /nfs/dbraw/zinc/03/88/87/767038887.db2.gz VTIPEBYMNLPDPH-QWRGUYRKSA-N 1 3 321.343 0.650 20 0 DCADHO C[C@@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001171236558 767096413 /nfs/dbraw/zinc/09/64/13/767096413.db2.gz NOVCFTCESWRWHX-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001171236563 767096707 /nfs/dbraw/zinc/09/67/07/767096707.db2.gz NOVCFTCESWRWHX-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001120653449 767117755 /nfs/dbraw/zinc/11/77/55/767117755.db2.gz PSBBHTIAWFDFAF-LSDHHAIUSA-N 1 3 311.474 0.454 20 0 DCADHO CCCNC(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383492 767452350 /nfs/dbraw/zinc/45/23/50/767452350.db2.gz HSFLLVUZSQZCRM-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001146594346 767485667 /nfs/dbraw/zinc/48/56/67/767485667.db2.gz SKHYOCAIALYYAF-ZIAGYGMSSA-N 1 3 303.447 0.208 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2)N(C)C ZINC001121267147 767490061 /nfs/dbraw/zinc/49/00/61/767490061.db2.gz GSCAAQDANRABMZ-XQEWBXBTSA-N 1 3 324.469 0.463 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001146719312 767511314 /nfs/dbraw/zinc/51/13/14/767511314.db2.gz PRJHRFAEXPFLFK-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001146719312 767511317 /nfs/dbraw/zinc/51/13/17/767511317.db2.gz PRJHRFAEXPFLFK-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)CCSCCC[NH3+])CC1 ZINC001121928751 767671888 /nfs/dbraw/zinc/67/18/88/767671888.db2.gz SVYYZHCHJUAGBT-CQSZACIVSA-N 1 3 316.515 0.601 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001138769418 768436113 /nfs/dbraw/zinc/43/61/13/768436113.db2.gz PDBZZJXIXNGFKT-WBVHZDCISA-N 1 3 308.422 0.802 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC001202990832 768504261 /nfs/dbraw/zinc/50/42/61/768504261.db2.gz FPAGXMBPRPJIHA-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001093466439 768571600 /nfs/dbraw/zinc/57/16/00/768571600.db2.gz NORCJOQMPGAOJF-JHNDHUHGSA-N 1 3 320.437 0.938 20 0 DCADHO CCC[NH+]1C[C@@H]2CN(C(=O)CCN3CCN(C)CC3)C[C@H]2C1 ZINC001143231712 768698248 /nfs/dbraw/zinc/69/82/48/768698248.db2.gz QISGWGRELWPWBT-HZPDHXFCSA-N 1 3 308.470 0.424 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCCNCc1cncc(OC)n1 ZINC001161226736 768698955 /nfs/dbraw/zinc/69/89/55/768698955.db2.gz NYAKZLVFBNNLJV-UHFFFAOYSA-N 1 3 323.441 0.811 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCCNCc1cncc(OC)n1 ZINC001161226736 768698957 /nfs/dbraw/zinc/69/89/57/768698957.db2.gz NYAKZLVFBNNLJV-UHFFFAOYSA-N 1 3 323.441 0.811 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149854218 768885405 /nfs/dbraw/zinc/88/54/05/768885405.db2.gz IQPHSSSQSWZKQZ-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149854218 768885419 /nfs/dbraw/zinc/88/54/19/768885419.db2.gz IQPHSSSQSWZKQZ-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001150624584 769142088 /nfs/dbraw/zinc/14/20/88/769142088.db2.gz CBTROJVCAHOVPG-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001150624584 769142093 /nfs/dbraw/zinc/14/20/93/769142093.db2.gz CBTROJVCAHOVPG-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](CCCF)CCCO1 ZINC001150777377 769184463 /nfs/dbraw/zinc/18/44/63/769184463.db2.gz CWYBIFCPFRFZCA-AWEZNQCLSA-N 1 3 303.422 0.893 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1 ZINC001150777377 769184471 /nfs/dbraw/zinc/18/44/71/769184471.db2.gz CWYBIFCPFRFZCA-AWEZNQCLSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CCC(C)CC1 ZINC001151065684 769251308 /nfs/dbraw/zinc/25/13/08/769251308.db2.gz MTTABVAJWJENKR-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCC(C)CC1 ZINC001151065684 769251311 /nfs/dbraw/zinc/25/13/11/769251311.db2.gz MTTABVAJWJENKR-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074459 769252230 /nfs/dbraw/zinc/25/22/30/769252230.db2.gz ZDXRWTPMRJKTBY-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074459 769252235 /nfs/dbraw/zinc/25/22/35/769252235.db2.gz ZDXRWTPMRJKTBY-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCCC1 ZINC001151073064 769253061 /nfs/dbraw/zinc/25/30/61/769253061.db2.gz FMZDQDGYHYEHQN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCCCCC1 ZINC001151073064 769253067 /nfs/dbraw/zinc/25/30/67/769253067.db2.gz FMZDQDGYHYEHQN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001171586418 769316336 /nfs/dbraw/zinc/31/63/36/769316336.db2.gz NNICTRXPVZQAFS-QWHCGFSZSA-N 1 3 314.474 0.855 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001171763154 769369845 /nfs/dbraw/zinc/36/98/45/769369845.db2.gz SRGVKJCPBGYIDG-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N[C@H](C)CC ZINC001171769886 769372435 /nfs/dbraw/zinc/37/24/35/769372435.db2.gz GWMIWKCLXNXDJN-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001152427394 769553970 /nfs/dbraw/zinc/55/39/70/769553970.db2.gz ZASNPTBKMSFGJL-INIZCTEOSA-N 1 3 307.438 0.636 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCc1nc(C)no1 ZINC001152452067 769561661 /nfs/dbraw/zinc/56/16/61/769561661.db2.gz ROGDMZAIYCNSSO-CQSZACIVSA-N 1 3 323.441 0.891 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001152459145 769566248 /nfs/dbraw/zinc/56/62/48/769566248.db2.gz ZTRCAHUWVRSLOR-UONOGXRCSA-N 1 3 320.441 0.346 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001152470500 769569486 /nfs/dbraw/zinc/56/94/86/769569486.db2.gz CIUUOEINPHCBCC-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO COCCC1([NH3+])CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173741243 769706735 /nfs/dbraw/zinc/70/67/35/769706735.db2.gz BMVIXNQCYHWWEP-KBPBESRZSA-N 1 3 308.430 0.987 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCCNC(=O)Cc2nc[nH]c2C)n1 ZINC001174692042 769781597 /nfs/dbraw/zinc/78/15/97/769781597.db2.gz QUCZBGHIINJTFS-UHFFFAOYSA-N 1 3 318.425 0.870 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCOCCO)N(C)C ZINC001175304867 769886337 /nfs/dbraw/zinc/88/63/37/769886337.db2.gz MYAMNKIAVOJNNT-GJZGRUSLSA-N 1 3 317.474 0.600 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3ccc([O-])cn3)C[C@H]1C2 ZINC001236029039 769970275 /nfs/dbraw/zinc/97/02/75/769970275.db2.gz IMHIKXXNWSMFKD-MVQRFQBOSA-N 1 3 317.389 0.618 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc([O-])cn3)C[C@H]1C2 ZINC001236029039 769970277 /nfs/dbraw/zinc/97/02/77/769970277.db2.gz IMHIKXXNWSMFKD-MVQRFQBOSA-N 1 3 317.389 0.618 20 0 DCADHO COC(=O)[C@H](N)C1CC[NH+](C[C@H](N)Cc2ccccc2)CC1 ZINC001236066403 769977610 /nfs/dbraw/zinc/97/76/10/769977610.db2.gz GVQUSJUPTNKNTG-HZPDHXFCSA-N 1 3 305.422 0.769 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930524 770006624 /nfs/dbraw/zinc/00/66/24/770006624.db2.gz ODVIBSRUALEWBC-KFWWJZLASA-N 1 3 317.474 0.407 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930524 770006637 /nfs/dbraw/zinc/00/66/37/770006637.db2.gz ODVIBSRUALEWBC-KFWWJZLASA-N 1 3 317.474 0.407 20 0 DCADHO COC(=O)[C@H]1CN(Cc2nc3c(s2)CNCC3)CC[C@@H]1[NH3+] ZINC001236417261 770009726 /nfs/dbraw/zinc/00/97/26/770009726.db2.gz YBJRXAQCPQJCLI-UWVGGRQHSA-N 1 3 310.423 0.111 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176072447 770012079 /nfs/dbraw/zinc/01/20/79/770012079.db2.gz UHVDIHOFQUGZKV-GFCCVEGCSA-N 1 3 307.398 0.033 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176072447 770012093 /nfs/dbraw/zinc/01/20/93/770012093.db2.gz UHVDIHOFQUGZKV-GFCCVEGCSA-N 1 3 307.398 0.033 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001176072405 770012462 /nfs/dbraw/zinc/01/24/62/770012462.db2.gz SFVCLJBACKMONZ-CYBMUJFWSA-N 1 3 306.410 0.638 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001176072405 770012476 /nfs/dbraw/zinc/01/24/76/770012476.db2.gz SFVCLJBACKMONZ-CYBMUJFWSA-N 1 3 306.410 0.638 20 0 DCADHO NCCS(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001238807741 770130084 /nfs/dbraw/zinc/13/00/84/770130084.db2.gz JYNBVANYLITYOS-UHFFFAOYSA-N 1 3 303.472 0.909 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC001238879660 770141766 /nfs/dbraw/zinc/14/17/66/770141766.db2.gz NSBNJCYJOIXXCU-UHFFFAOYSA-N 1 3 305.831 0.947 20 0 DCADHO CCC[NH+](CCC)CCN1CCN(S(=O)(=O)CCN)CC1 ZINC001239101835 770179888 /nfs/dbraw/zinc/17/98/88/770179888.db2.gz VWNNHUTVDDFDGJ-UHFFFAOYSA-N 1 3 320.503 0.015 20 0 DCADHO NCCS(=O)(=O)N(Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC001239136172 770194208 /nfs/dbraw/zinc/19/42/08/770194208.db2.gz HQXLMNMVDLIARZ-CYBMUJFWSA-N 1 3 315.414 0.668 20 0 DCADHO COCCCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363385 770211290 /nfs/dbraw/zinc/21/12/90/770211290.db2.gz PMKSNKVPZQRARI-GFCCVEGCSA-N 1 3 300.472 0.361 20 0 DCADHO Cc1cc(-c2ncc3c(n2)CNCC3)cnc1N1CC[NH2+]CC1 ZINC001239721712 770228601 /nfs/dbraw/zinc/22/86/01/770228601.db2.gz UXRQYURWIBBTTH-UHFFFAOYSA-N 1 3 310.405 0.902 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948310 770249767 /nfs/dbraw/zinc/24/97/67/770249767.db2.gz QOYLQQMWYBPMCG-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001176986421 770273372 /nfs/dbraw/zinc/27/33/72/770273372.db2.gz NURLYSZIVQCXEG-CQSZACIVSA-N 1 3 310.442 0.235 20 0 DCADHO [NH3+]C1CCN(c2cccc(NC[C@@H]3CCNC(=O)C3)n2)CC1 ZINC001154935376 770344739 /nfs/dbraw/zinc/34/47/39/770344739.db2.gz YZPZMMKEGMKVOO-GFCCVEGCSA-N 1 3 303.410 0.947 20 0 DCADHO c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc(N2CCOCC2)c1 ZINC001155527910 770536300 /nfs/dbraw/zinc/53/63/00/770536300.db2.gz SZTCEZOUSKIFTQ-RBSFLKMASA-N 1 3 318.421 0.955 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178702590 770844552 /nfs/dbraw/zinc/84/45/52/770844552.db2.gz SDSMUQFBBTUUMG-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179304109 770983115 /nfs/dbraw/zinc/98/31/15/770983115.db2.gz UHQAXLPDMZQZFF-ZQDZILKHSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001179852582 771024329 /nfs/dbraw/zinc/02/43/29/771024329.db2.gz WNSYLWFTHUYVPV-IPYPFGDCSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001179852582 771024336 /nfs/dbraw/zinc/02/43/36/771024336.db2.gz WNSYLWFTHUYVPV-IPYPFGDCSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180136263 771062189 /nfs/dbraw/zinc/06/21/89/771062189.db2.gz UWMUPNIPFNRTTB-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C)C(N)=O ZINC001180203888 771074005 /nfs/dbraw/zinc/07/40/05/771074005.db2.gz ABCFKKAOXGMGQJ-RDBSUJKOSA-N 1 3 310.442 0.315 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736692 771347049 /nfs/dbraw/zinc/34/70/49/771347049.db2.gz SUPVJHARCWIFOT-CXAGYDPISA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182607330 771521438 /nfs/dbraw/zinc/52/14/38/771521438.db2.gz GIGUEFHQGBTPOW-JKIFEVAISA-N 1 3 324.469 0.291 20 0 DCADHO COc1cc2c(cc1OC)[C@@H](CNC(=O)[C@@H](N)CCC[NH3+])C2 ZINC001157424755 771607303 /nfs/dbraw/zinc/60/73/03/771607303.db2.gz XUBFVRFCRSKDIG-YPMHNXCESA-N 1 3 307.394 0.526 20 0 DCADHO CS(=O)(=O)[C@H]1C[C@@H](Nc2cccc(N3CCC([NH3+])CC3)n2)C1 ZINC001157467390 771615349 /nfs/dbraw/zinc/61/53/49/771615349.db2.gz DIBFNUKMYZQOKK-BETUJISGSA-N 1 3 324.450 0.997 20 0 DCADHO N[C@H]1CN(C(=O)C[C@@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)C[C@H]1F ZINC001157535615 771627735 /nfs/dbraw/zinc/62/77/35/771627735.db2.gz COKKGBSHMTWNIO-JJXSEGSLSA-N 1 3 321.396 0.831 20 0 DCADHO N[C@H]1CN(C(=O)[C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)C[C@H]1F ZINC001157536213 771628206 /nfs/dbraw/zinc/62/82/06/771628206.db2.gz IUIBJVDMBWQWMH-QLFBSQMISA-N 1 3 319.380 0.844 20 0 DCADHO N[C@H]1CN(C(=O)c2ccc(CC[NH+]3CCCC3)nc2)C[C@H]1F ZINC001157545074 771630200 /nfs/dbraw/zinc/63/02/00/771630200.db2.gz NJNPSYMXGRZBOC-CABCVRRESA-N 1 3 306.385 0.841 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC1CC1 ZINC001183289042 771632265 /nfs/dbraw/zinc/63/22/65/771632265.db2.gz QFKVUBNFHKFDSI-GXTWGEPZSA-N 1 3 322.453 0.328 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288738 771632627 /nfs/dbraw/zinc/63/26/27/771632627.db2.gz MPBFDTQYQFXGSE-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO NC1(C(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]CC1 ZINC001157579335 771635670 /nfs/dbraw/zinc/63/56/70/771635670.db2.gz MCZPYQMXUOTTCS-UHFFFAOYSA-N 1 3 308.470 0.792 20 0 DCADHO CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001157593525 771638667 /nfs/dbraw/zinc/63/86/67/771638667.db2.gz VMTUTJCDEARXLV-QWRGUYRKSA-N 1 3 301.387 0.605 20 0 DCADHO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](N)CCCC[NH3+] ZINC001157679009 771653369 /nfs/dbraw/zinc/65/33/69/771653369.db2.gz MCUOWRPQTOTTCG-ZDUSSCGKSA-N 1 3 307.394 0.873 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001157715307 771657699 /nfs/dbraw/zinc/65/76/99/771657699.db2.gz DMKRFXKMAXYTDF-AXFHLTTASA-N 1 3 309.332 0.364 20 0 DCADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001157716624 771657871 /nfs/dbraw/zinc/65/78/71/771657871.db2.gz PWOIHHULTMTXML-SMDDNHRTSA-N 1 3 303.378 0.159 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001157720581 771658672 /nfs/dbraw/zinc/65/86/72/771658672.db2.gz MCYXLILGYNRWGI-OJYUVLBFSA-N 1 3 321.465 0.977 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1)N(C)C ZINC001183582424 771670780 /nfs/dbraw/zinc/67/07/80/771670780.db2.gz ZCFUJEOYHHCYMT-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C1C=CN=C2N=CC=C21 ZINC001183590489 771672102 /nfs/dbraw/zinc/67/21/02/771672102.db2.gz RKJPQQPAQJOGBR-VXGBXAGGSA-N 1 3 308.345 0.980 20 0 DCADHO COC(=O)c1nc(Cl)cnc1NC(=N)N1CC[NH+](C)CC1 ZINC001157915025 771692053 /nfs/dbraw/zinc/69/20/53/771692053.db2.gz KFBLBDFXBMIOHR-UHFFFAOYSA-N 1 3 312.761 0.511 20 0 DCADHO N[C@H](C(=O)N1CCc2cc3c(cc2C1)OCO3)C1CC[NH2+]CC1 ZINC001157983837 771707613 /nfs/dbraw/zinc/70/76/13/771707613.db2.gz UZTLNJQWPYMTMS-INIZCTEOSA-N 1 3 317.389 0.627 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160917 771731792 /nfs/dbraw/zinc/73/17/92/771731792.db2.gz LQEITQNXWZTFSC-HOCLYGCPSA-N 1 3 310.442 0.365 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178691 771734815 /nfs/dbraw/zinc/73/48/15/771734815.db2.gz APDUZIXXUWSBLV-VXGBXAGGSA-N 1 3 307.419 0.454 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)ncn1 ZINC001158196047 771738474 /nfs/dbraw/zinc/73/84/74/771738474.db2.gz ILBCLKQDIHJWCJ-MRXNPFEDSA-N 1 3 317.437 0.723 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001158202123 771739818 /nfs/dbraw/zinc/73/98/18/771739818.db2.gz BUFZESVBHXHUEV-INIZCTEOSA-N 1 3 317.437 0.723 20 0 DCADHO O=C([C@H]1C[NH2+]C[C@H](O)C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158326977 771759495 /nfs/dbraw/zinc/75/94/95/771759495.db2.gz CHISKNJEEYJSDC-LUYZLQTOSA-N 1 3 301.390 0.055 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CCC[C@@H]3[NH2+]C[C@@H]32)cc1 ZINC001158422329 771771929 /nfs/dbraw/zinc/77/19/29/771771929.db2.gz KDYJSYANBHWJJT-JYJNAYRXSA-N 1 3 303.406 0.918 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001184433198 771787237 /nfs/dbraw/zinc/78/72/37/771787237.db2.gz FIOZAOSENQMSHY-MYMJJRTCSA-N 1 3 311.401 0.400 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CNCc4ccnn4C3)C[C@@H]2CF)CC1 ZINC001158569361 771791737 /nfs/dbraw/zinc/79/17/37/771791737.db2.gz YIDGKCJXKXXGJW-OUCADQQQSA-N 1 3 321.400 0.138 20 0 DCADHO NC1(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001158903847 771833556 /nfs/dbraw/zinc/83/35/56/771833556.db2.gz QAMXAKUKSBTNFM-ABAIWWIYSA-N 1 3 320.368 0.566 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184877100 771840635 /nfs/dbraw/zinc/84/06/35/771840635.db2.gz RICWPJSGPPPZKU-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185221725 771880276 /nfs/dbraw/zinc/88/02/76/771880276.db2.gz PDNDCTBPCVIMTJ-OAHLLOKOSA-N 1 3 319.453 0.761 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291414 771891362 /nfs/dbraw/zinc/89/13/62/771891362.db2.gz OQHDTXXFSDEFST-CQSZACIVSA-N 1 3 303.410 0.224 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291414 771891365 /nfs/dbraw/zinc/89/13/65/771891365.db2.gz OQHDTXXFSDEFST-CQSZACIVSA-N 1 3 303.410 0.224 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385870 771910128 /nfs/dbraw/zinc/91/01/28/771910128.db2.gz WGYVZZFFVYHTRX-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001185401498 771912027 /nfs/dbraw/zinc/91/20/27/771912027.db2.gz RDKONBBNYYKEEE-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185651337 771939954 /nfs/dbraw/zinc/93/99/54/771939954.db2.gz YKCINCUVLFOIQM-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185651337 771939958 /nfs/dbraw/zinc/93/99/58/771939958.db2.gz YKCINCUVLFOIQM-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001185716584 771948538 /nfs/dbraw/zinc/94/85/38/771948538.db2.gz ZSGSQPDJRWFUGK-RDBSUJKOSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCCNCc2ccn(C)n2)C1 ZINC001159837833 771966788 /nfs/dbraw/zinc/96/67/88/771966788.db2.gz GQLZQXISUKXPMV-HNNXBMFYSA-N 1 3 321.469 0.994 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCCNCc2ccn(C)n2)C1 ZINC001159837833 771966791 /nfs/dbraw/zinc/96/67/91/771966791.db2.gz GQLZQXISUKXPMV-HNNXBMFYSA-N 1 3 321.469 0.994 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159860881 771969288 /nfs/dbraw/zinc/96/92/88/771969288.db2.gz GFPOJWDHISVYNP-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001159862191 771970020 /nfs/dbraw/zinc/97/00/20/771970020.db2.gz ZFPYYSQLWMKYTL-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915691 771976315 /nfs/dbraw/zinc/97/63/15/771976315.db2.gz LYSBIHIPSAEYFX-HNNXBMFYSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159914556 771976319 /nfs/dbraw/zinc/97/63/19/771976319.db2.gz DYTSIIXIZXRAFL-OAHLLOKOSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H](C2CC2)[NH+](C)C)nn1C ZINC001159914518 771976487 /nfs/dbraw/zinc/97/64/87/771976487.db2.gz DHDYUIXZBAAVCQ-OAHLLOKOSA-N 1 3 307.442 0.665 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC001185924924 771976806 /nfs/dbraw/zinc/97/68/06/771976806.db2.gz HMACVHLQIZSRET-UKRRQHHQSA-N 1 3 322.409 0.338 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160267082 772015567 /nfs/dbraw/zinc/01/55/67/772015567.db2.gz KIUWHOMJBHVKSN-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160267082 772015570 /nfs/dbraw/zinc/01/55/70/772015570.db2.gz KIUWHOMJBHVKSN-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427782 772036667 /nfs/dbraw/zinc/03/66/67/772036667.db2.gz TWPMNYHNHPVUAY-ZFWWWQNUSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427781 772036722 /nfs/dbraw/zinc/03/67/22/772036722.db2.gz TWPMNYHNHPVUAY-HIFRSBDPSA-N 1 3 314.474 0.583 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N(CCO)Cc1cccs1 ZINC001160446724 772040962 /nfs/dbraw/zinc/04/09/62/772040962.db2.gz OWKOMWHWVNJAFX-NSHDSACASA-N 1 3 303.453 0.088 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460700 772042964 /nfs/dbraw/zinc/04/29/64/772042964.db2.gz CWPKLEDAIDFCDO-GJZGRUSLSA-N 1 3 305.426 0.756 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460700 772042971 /nfs/dbraw/zinc/04/29/71/772042971.db2.gz CWPKLEDAIDFCDO-GJZGRUSLSA-N 1 3 305.426 0.756 20 0 DCADHO CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001160477077 772046909 /nfs/dbraw/zinc/04/69/09/772046909.db2.gz SPSMITBSLMKOOW-STQMWFEESA-N 1 3 323.437 0.376 20 0 DCADHO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)CC1 ZINC001160490775 772049395 /nfs/dbraw/zinc/04/93/95/772049395.db2.gz INOJTUJMWKTBTC-AWEZNQCLSA-N 1 3 313.442 0.452 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN(c2cccnn2)CC1 ZINC001160571988 772069384 /nfs/dbraw/zinc/06/93/84/772069384.db2.gz WIIOSLJEIVYRGZ-AWEZNQCLSA-N 1 3 320.441 0.184 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186732445 772080908 /nfs/dbraw/zinc/08/09/08/772080908.db2.gz XTWPGCZCECTILJ-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H](C(F)(F)F)CN3)C[C@H]2C1 ZINC001160704282 772099712 /nfs/dbraw/zinc/09/97/12/772099712.db2.gz JCLNROFQVRSNAI-KXNHARMFSA-N 1 3 305.344 0.937 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H](C(F)(F)F)CN3)C[C@H]2C1 ZINC001160704282 772099717 /nfs/dbraw/zinc/09/97/17/772099717.db2.gz JCLNROFQVRSNAI-KXNHARMFSA-N 1 3 305.344 0.937 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(n2ccnc2)CC1 ZINC001160725504 772103391 /nfs/dbraw/zinc/10/33/91/772103391.db2.gz BKXVDVYLIVZESP-OAHLLOKOSA-N 1 3 317.437 0.921 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160826686 772117532 /nfs/dbraw/zinc/11/75/32/772117532.db2.gz MKZDHLALYUJAAT-UHFFFAOYSA-N 1 3 319.453 0.892 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)CC)N(C)C ZINC001160889340 772132808 /nfs/dbraw/zinc/13/28/08/772132808.db2.gz JDZLBDQNSDOFML-CYBMUJFWSA-N 1 3 321.487 0.247 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1)N(C)C ZINC001160889739 772132987 /nfs/dbraw/zinc/13/29/87/772132987.db2.gz RAJXCPATRWYZIB-HUUCEWRRSA-N 1 3 315.458 0.618 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC001160893680 772133577 /nfs/dbraw/zinc/13/35/77/772133577.db2.gz IIINKRRFJWYZMA-GFCCVEGCSA-N 1 3 316.409 0.278 20 0 DCADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161132347 772173041 /nfs/dbraw/zinc/17/30/41/772173041.db2.gz YHDRJMSVWRAGKC-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161132347 772173043 /nfs/dbraw/zinc/17/30/43/772173043.db2.gz YHDRJMSVWRAGKC-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001161226398 772187237 /nfs/dbraw/zinc/18/72/37/772187237.db2.gz GTIYJMGEPSOUIK-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO [NH3+][C@H]1CC[C@H](N(c2ncc3c(n2)CCNC3)C2COC2)CC1 ZINC001161275338 772195445 /nfs/dbraw/zinc/19/54/45/772195445.db2.gz QCYUJRWASFYMCK-JOCQHMNTSA-N 1 3 303.410 0.597 20 0 DCADHO Cc1cccc(N(C(=O)[C@H]2CNCCN2)C2CC[NH2+]CC2)n1 ZINC001161303298 772199992 /nfs/dbraw/zinc/19/99/92/772199992.db2.gz WIDTYAFFYOVTBW-CQSZACIVSA-N 1 3 303.410 0.036 20 0 DCADHO Cc1c[nH+]ccc1N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC001161306604 772200751 /nfs/dbraw/zinc/20/07/51/772200751.db2.gz SDHUKDTWEKDFIO-NSHDSACASA-N 1 3 302.300 0.928 20 0 DCADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)c3ccc4c(c3)CNC4)C2)CC1 ZINC001161381871 772215102 /nfs/dbraw/zinc/21/51/02/772215102.db2.gz QJURWGJYUBNUPJ-QGZVFWFLSA-N 1 3 314.433 0.927 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825231 772227509 /nfs/dbraw/zinc/22/75/09/772227509.db2.gz GUEDEICKCWEBIL-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825231 772227514 /nfs/dbraw/zinc/22/75/14/772227514.db2.gz GUEDEICKCWEBIL-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC[C@@H]21 ZINC001161480898 772231750 /nfs/dbraw/zinc/23/17/50/772231750.db2.gz BRSNSAFUEHAEDN-ILXRZTDVSA-N 1 3 324.469 0.515 20 0 DCADHO COc1cccc([C@H](N)CC(=O)N2C[C@H]([NH3+])C3(COC3)C2)c1 ZINC001161508295 772236262 /nfs/dbraw/zinc/23/62/62/772236262.db2.gz CZHLSNJYQQQQDQ-KGLIPLIRSA-N 1 3 305.378 0.271 20 0 DCADHO COC(=O)[C@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])[C@H]1c1ccccc1 ZINC001161564934 772246196 /nfs/dbraw/zinc/24/61/96/772246196.db2.gz VOOQBBDLRIRAFQ-KKUMJFAQSA-N 1 3 319.405 0.815 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001188158295 772277142 /nfs/dbraw/zinc/27/71/42/772277142.db2.gz KIJJZBXSIZQIKL-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789207 772283329 /nfs/dbraw/zinc/28/33/29/772283329.db2.gz JBRLGCVXTYOPOK-UHFFFAOYSA-N 1 3 305.426 0.644 20 0 DCADHO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1-n1cnc(CN)c1 ZINC001162296283 772354431 /nfs/dbraw/zinc/35/44/31/772354431.db2.gz DAJFZNTZACRLSP-KGLIPLIRSA-N 1 3 315.377 0.510 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1ncnc2c1C[N@H+](C)CC2 ZINC001162532696 772387392 /nfs/dbraw/zinc/38/73/92/772387392.db2.gz ISROEJFMWZKFON-UHFFFAOYSA-N 1 3 316.365 0.286 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1ncnc2c1C[N@@H+](C)CC2 ZINC001162532696 772387400 /nfs/dbraw/zinc/38/74/00/772387400.db2.gz ISROEJFMWZKFON-UHFFFAOYSA-N 1 3 316.365 0.286 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1ccc2c(n1)C[NH2+]CC2 ZINC001162532916 772387696 /nfs/dbraw/zinc/38/76/96/772387696.db2.gz YWWWCJCZKRQLDA-UHFFFAOYSA-N 1 3 301.350 0.548 20 0 DCADHO COC(=O)Cc1cc(NCc2nnn3c2C[NH2+]CCC3)ccn1 ZINC001162977911 772438922 /nfs/dbraw/zinc/43/89/22/772438922.db2.gz PQEQQLYWJOXEIS-UHFFFAOYSA-N 1 3 316.365 0.494 20 0 DCADHO CCOC(=O)c1cncnc1NC(=N)NCC[NH+](CC)CC ZINC001163122342 772468036 /nfs/dbraw/zinc/46/80/36/772468036.db2.gz GPFFHHAKXLZDJE-UHFFFAOYSA-N 1 3 308.386 0.931 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cc(-n2cncn2)nc(C)n1 ZINC001163129574 772468893 /nfs/dbraw/zinc/46/88/93/772468893.db2.gz OQMYNRJERKVHMN-UHFFFAOYSA-N 1 3 317.401 0.644 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1 ZINC001163821230 772577722 /nfs/dbraw/zinc/57/77/22/772577722.db2.gz MAWBWPBURIJJOG-AWEZNQCLSA-N 1 3 320.441 0.285 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163822269 772578523 /nfs/dbraw/zinc/57/85/23/772578523.db2.gz XILGQPYHEFFVPX-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO NCc1cc(-n2cc(CN3CC[NH2+]CC3)c3cccnc32)ncn1 ZINC001165078915 772693948 /nfs/dbraw/zinc/69/39/48/772693948.db2.gz BMBKBQFRHKLOLG-UHFFFAOYSA-N 1 3 323.404 0.679 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(N(C)C)nc1 ZINC001191071909 772716214 /nfs/dbraw/zinc/71/62/14/772716214.db2.gz GMPMVRFOJMNXFD-UHFFFAOYSA-N 1 3 306.414 0.825 20 0 DCADHO CC(C)N(c1cc(CN)ncn1)c1ncnc2c1CC[NH2+]CC2 ZINC001165512817 772744319 /nfs/dbraw/zinc/74/43/19/772744319.db2.gz IKJRLEFVXZRBQQ-UHFFFAOYSA-N 1 3 313.409 0.960 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001166627009 772830914 /nfs/dbraw/zinc/83/09/14/772830914.db2.gz NYWGMMDPYFGGOL-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)nn1C ZINC001166668045 772837675 /nfs/dbraw/zinc/83/76/75/772837675.db2.gz PMHQSRKIJLKIPK-CYBMUJFWSA-N 1 3 307.442 0.666 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)nn1C ZINC001166668045 772837679 /nfs/dbraw/zinc/83/76/79/772837679.db2.gz PMHQSRKIJLKIPK-CYBMUJFWSA-N 1 3 307.442 0.666 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCc2ccnn2C)C1 ZINC001166676956 772838336 /nfs/dbraw/zinc/83/83/36/772838336.db2.gz FDLQUKJYRBIJDB-AWEZNQCLSA-N 1 3 307.442 0.400 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001166678573 772839023 /nfs/dbraw/zinc/83/90/23/772839023.db2.gz WKUKQXHGILHXIN-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001166677914 772839302 /nfs/dbraw/zinc/83/93/02/772839302.db2.gz PZRJXFILCATORC-ZIAGYGMSSA-N 1 3 320.441 0.203 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)nn1C ZINC001166709446 772846418 /nfs/dbraw/zinc/84/64/18/772846418.db2.gz ZVGNYLASWMCLOM-IUODEOHRSA-N 1 3 307.442 0.522 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)nn1C ZINC001166709446 772846421 /nfs/dbraw/zinc/84/64/21/772846421.db2.gz ZVGNYLASWMCLOM-IUODEOHRSA-N 1 3 307.442 0.522 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001166852194 772870654 /nfs/dbraw/zinc/87/06/54/772870654.db2.gz NLAHNJIMIXZZSF-KGLIPLIRSA-N 1 3 314.474 0.678 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793620 772924664 /nfs/dbraw/zinc/92/46/64/772924664.db2.gz SHHSJUWWIYEIMP-CHWSQXEVSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001203925495 772929689 /nfs/dbraw/zinc/92/96/89/772929689.db2.gz QEOLPQJSKHACMT-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC001203925617 772929752 /nfs/dbraw/zinc/92/97/52/772929752.db2.gz TVXMXKZGIXISGC-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204798440 772962537 /nfs/dbraw/zinc/96/25/37/772962537.db2.gz JKZSBPQWOYVLCG-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204798436 772962572 /nfs/dbraw/zinc/96/25/72/772962572.db2.gz JKZSBPQWOYVLCG-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204799434 772962599 /nfs/dbraw/zinc/96/25/99/772962599.db2.gz WWYIJVOXJCPUMI-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC001206287984 773063197 /nfs/dbraw/zinc/06/31/97/773063197.db2.gz LRFJBJIDKVKFHR-ZDUSSCGKSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC(=O)N(C)C)CC1 ZINC001206890409 773121234 /nfs/dbraw/zinc/12/12/34/773121234.db2.gz QENHVLOPOHZVMB-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO COCCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002737 773137452 /nfs/dbraw/zinc/13/74/52/773137452.db2.gz YETRRZSXTPCUIL-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002737 773137455 /nfs/dbraw/zinc/13/74/55/773137455.db2.gz YETRRZSXTPCUIL-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001206952199 773146355 /nfs/dbraw/zinc/14/63/55/773146355.db2.gz CPKOFQAOWRIUHL-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001206952216 773146427 /nfs/dbraw/zinc/14/64/27/773146427.db2.gz DNZFDPDNCGZDKL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001206954299 773147154 /nfs/dbraw/zinc/14/71/54/773147154.db2.gz CUMDRGQPSMFBAA-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cncn1CCOC ZINC001194663209 773228418 /nfs/dbraw/zinc/22/84/18/773228418.db2.gz UFNLROQACQQZAK-UHFFFAOYSA-N 1 3 310.402 0.207 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001208073168 773394507 /nfs/dbraw/zinc/39/45/07/773394507.db2.gz DNYJVEBFQITELW-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001208073168 773394514 /nfs/dbraw/zinc/39/45/14/773394514.db2.gz DNYJVEBFQITELW-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001208279281 773422822 /nfs/dbraw/zinc/42/28/22/773422822.db2.gz MPJJTNOPMYGBKR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001208279281 773422830 /nfs/dbraw/zinc/42/28/30/773422830.db2.gz MPJJTNOPMYGBKR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208280043 773423067 /nfs/dbraw/zinc/42/30/67/773423067.db2.gz XYMAQMCLXFRCSO-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208280043 773423069 /nfs/dbraw/zinc/42/30/69/773423069.db2.gz XYMAQMCLXFRCSO-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO COCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208640035 773510193 /nfs/dbraw/zinc/51/01/93/773510193.db2.gz XQBZOCAKYHVZJF-GWUWNPHMSA-N 1 3 323.437 0.077 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445107 773605328 /nfs/dbraw/zinc/60/53/28/773605328.db2.gz KXJBFBNOZLEBNZ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001209633413 773627452 /nfs/dbraw/zinc/62/74/52/773627452.db2.gz USXMQBRYZAQTSR-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659288 773631540 /nfs/dbraw/zinc/63/15/40/773631540.db2.gz BDZNGPZYNQRZKW-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661634 773631687 /nfs/dbraw/zinc/63/16/87/773631687.db2.gz YFWWALCTWFNWNA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001210216856 773685923 /nfs/dbraw/zinc/68/59/23/773685923.db2.gz AMNMSKSISPBYNR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001210482790 773711237 /nfs/dbraw/zinc/71/12/37/773711237.db2.gz QLRFBRLRIKVVTC-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC001210482790 773711245 /nfs/dbraw/zinc/71/12/45/773711245.db2.gz QLRFBRLRIKVVTC-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(C)C)C1 ZINC001210493222 773714135 /nfs/dbraw/zinc/71/41/35/773714135.db2.gz JXGHWWWKLCYPQZ-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(C)C)C1 ZINC001210493222 773714136 /nfs/dbraw/zinc/71/41/36/773714136.db2.gz JXGHWWWKLCYPQZ-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001211241090 773784101 /nfs/dbraw/zinc/78/41/01/773784101.db2.gz RVVJBEODRXHOMA-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211241674 773785597 /nfs/dbraw/zinc/78/55/97/773785597.db2.gz WEARSHNDBDQEEF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820137 773812576 /nfs/dbraw/zinc/81/25/76/773812576.db2.gz WARGBPXDTPHVNZ-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826238 773814091 /nfs/dbraw/zinc/81/40/91/773814091.db2.gz RYULACDITMSRLS-JBZXTQMFSA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)OC ZINC001197949591 773827271 /nfs/dbraw/zinc/82/72/71/773827271.db2.gz SSLKZHNKNDLBBO-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(C)nn1CCOC ZINC001198101769 773861527 /nfs/dbraw/zinc/86/15/27/773861527.db2.gz QZMARWXDTRKISE-UHFFFAOYSA-N 1 3 324.429 0.515 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@H]2O)C1 ZINC001198653199 773957753 /nfs/dbraw/zinc/95/77/53/773957753.db2.gz JPZNURVIGNWWNE-RRFJBIMHSA-N 1 3 311.470 0.926 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@H]2O)C1 ZINC001198653199 773957758 /nfs/dbraw/zinc/95/77/58/773957758.db2.gz JPZNURVIGNWWNE-RRFJBIMHSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214337940 773960202 /nfs/dbraw/zinc/96/02/02/773960202.db2.gz GLPFNXQZNRWBHU-BPLDGKMQSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214336141 773961010 /nfs/dbraw/zinc/96/10/10/773961010.db2.gz VPXAHCQYIQQKSG-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001203925458 774029807 /nfs/dbraw/zinc/02/98/07/774029807.db2.gz OEWDUSDMUJXDLR-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C)C(N)=O ZINC001215563432 774082609 /nfs/dbraw/zinc/08/26/09/774082609.db2.gz GELNSOHRYWJSMJ-FRRDWIJNSA-N 1 3 312.458 0.275 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001216459467 774117571 /nfs/dbraw/zinc/11/75/71/774117571.db2.gz XEGAVDXOOCMKBW-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835712 774141409 /nfs/dbraw/zinc/14/14/09/774141409.db2.gz CVNDOLSAWOHJJN-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cnc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c2ncnc1-2 ZINC001218493967 774227610 /nfs/dbraw/zinc/22/76/10/774227610.db2.gz APDOVFIUULESCF-JTQLQIEISA-N 1 3 305.386 0.313 20 0 DCADHO O=C(Nc1ccncc1C(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001218497472 774228710 /nfs/dbraw/zinc/22/87/10/774228710.db2.gz MRJKDZFJHJWJDG-SECBINFHSA-N 1 3 300.284 0.270 20 0 DCADHO CSc1nnc(NC(=O)[C@@H](N)CCC[NH3+])c(SC)n1 ZINC001218523589 774236365 /nfs/dbraw/zinc/23/63/65/774236365.db2.gz IBRBUOQNZOEHIU-LURJTMIESA-N 1 3 302.429 0.320 20 0 DCADHO CSc1nnc(NC(=O)[C@H](N)CCC[NH3+])c(SC)n1 ZINC001218523603 774236415 /nfs/dbraw/zinc/23/64/15/774236415.db2.gz IBRBUOQNZOEHIU-ZCFIWIBFSA-N 1 3 302.429 0.320 20 0 DCADHO O=C(Nc1cc2ccccc2oc1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218594966 774259309 /nfs/dbraw/zinc/25/93/09/774259309.db2.gz OOVGTQWJNKNXJJ-SJKOYZFVSA-N 1 3 313.357 0.931 20 0 DCADHO Cc1cc(C)n2nc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2n1 ZINC001218628530 774267777 /nfs/dbraw/zinc/26/77/77/774267777.db2.gz NUIXFFWWKNLSQE-NSHDSACASA-N 1 3 300.366 0.094 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ncnc2c1ncn2[C@H]1CCCO1 ZINC001218642868 774271320 /nfs/dbraw/zinc/27/13/20/774271320.db2.gz FHHGZCSFOONYKL-VHSXEESVSA-N 1 3 319.369 0.140 20 0 DCADHO COc1cnc(Cl)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218720944 774288408 /nfs/dbraw/zinc/28/84/08/774288408.db2.gz PRLNRTDLIXAHHU-AMIZOPFISA-N 1 3 311.773 0.276 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccccc1CN1CCOCC1 ZINC001218848307 774313989 /nfs/dbraw/zinc/31/39/89/774313989.db2.gz UPPXTGPHYIEFHO-AWEZNQCLSA-N 1 3 306.410 0.524 20 0 DCADHO COC(=O)C1(c2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc2)CC1 ZINC001218975990 774339251 /nfs/dbraw/zinc/33/92/51/774339251.db2.gz SYOHISMNMORWCF-ZDUSSCGKSA-N 1 3 305.378 0.896 20 0 DCADHO O[C@H]1CCCN(CCNC(=S)NCC[NH+]2CCCCC2)C1 ZINC001200440211 774342403 /nfs/dbraw/zinc/34/24/03/774342403.db2.gz LKUGYZBTYXNGAP-AWEZNQCLSA-N 1 3 314.499 0.393 20 0 DCADHO C[NH2+][C@H]1CCCN(CC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219028038 774350061 /nfs/dbraw/zinc/35/00/61/774350061.db2.gz NBADEUSEXJWJEN-HNNXBMFYSA-N 1 3 318.421 0.791 20 0 DCADHO COc1cc(NC(=O)[C@H](N)CCC[NH3+])ccc1N1CCOCC1 ZINC001219168109 774396842 /nfs/dbraw/zinc/39/68/42/774396842.db2.gz ULUTZGNAXHMNQF-CYBMUJFWSA-N 1 3 322.409 0.537 20 0 DCADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)[C@H]3CNCCN3)cc2)C1 ZINC001219233848 774417671 /nfs/dbraw/zinc/41/76/71/774417671.db2.gz XLVPACGFNBINKF-SWLSCSKDSA-N 1 3 303.410 0.114 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CCCO1 ZINC001201677489 774535570 /nfs/dbraw/zinc/53/55/70/774535570.db2.gz CIDKQCXNLFHAHZ-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001201679309 774537301 /nfs/dbraw/zinc/53/73/01/774537301.db2.gz VLLRKINLXYLEKB-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)OC)C1 ZINC001201931239 774572839 /nfs/dbraw/zinc/57/28/39/774572839.db2.gz JITLDGQAMHWUEI-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO N[C@H](C(=O)NC[C@]1(F)CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC001219767886 774601936 /nfs/dbraw/zinc/60/19/36/774601936.db2.gz HKBIQYQBZIAFEK-RDJZCZTQSA-N 1 3 305.397 0.937 20 0 DCADHO CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219803743 774613649 /nfs/dbraw/zinc/61/36/49/774613649.db2.gz FADDEJXUBFXQIH-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219803743 774613651 /nfs/dbraw/zinc/61/36/51/774613651.db2.gz FADDEJXUBFXQIH-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1cncc2c1CCNC2 ZINC001219802882 774613662 /nfs/dbraw/zinc/61/36/62/774613662.db2.gz FHXKREAPZWZIFR-CYBMUJFWSA-N 1 3 316.405 0.226 20 0 DCADHO [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](F)CCN2)COC1 ZINC001220020778 774672552 /nfs/dbraw/zinc/67/25/52/774672552.db2.gz VOBFQTYTLCEWOT-GJZGRUSLSA-N 1 3 321.396 0.833 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220062051 774684915 /nfs/dbraw/zinc/68/49/15/774684915.db2.gz LAZHHZYDBAKQHV-CHWSQXEVSA-N 1 3 313.446 0.143 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CCCNC(N)=O ZINC001220062051 774684919 /nfs/dbraw/zinc/68/49/19/774684919.db2.gz LAZHHZYDBAKQHV-CHWSQXEVSA-N 1 3 313.446 0.143 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001202496057 774724700 /nfs/dbraw/zinc/72/47/00/774724700.db2.gz MSNNNJSDDKYZNS-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO COCCCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237847 774741695 /nfs/dbraw/zinc/74/16/95/774741695.db2.gz FVERVRBJRHHNEN-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220260938 774748504 /nfs/dbraw/zinc/74/85/04/774748504.db2.gz LFDQYCDSHBJNTI-KGLIPLIRSA-N 1 3 307.442 0.879 20 0 DCADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccc2c(c1)CNC2 ZINC001220322953 774771812 /nfs/dbraw/zinc/77/18/12/774771812.db2.gz ADFBWNLQAYPRAM-DOTOQJQBSA-N 1 3 301.390 0.931 20 0 DCADHO CCS(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001220490108 774824885 /nfs/dbraw/zinc/82/48/85/774824885.db2.gz TWZDYUVAVMNROP-ZDUSSCGKSA-N 1 3 313.423 0.163 20 0 DCADHO C[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)[C@H](O)c1cccc(O)c1 ZINC001220546482 774842575 /nfs/dbraw/zinc/84/25/75/774842575.db2.gz RRDFWUAIBPBKCG-RCBQFDQVSA-N 1 3 323.437 0.990 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ncc(F)cn1 ZINC001220599065 774860732 /nfs/dbraw/zinc/86/07/32/774860732.db2.gz KYSKWZAPJTYJCU-ZYHUDNBSSA-N 1 3 307.373 0.667 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ncc(F)cn1 ZINC001220599065 774860742 /nfs/dbraw/zinc/86/07/42/774860742.db2.gz KYSKWZAPJTYJCU-ZYHUDNBSSA-N 1 3 307.373 0.667 20 0 DCADHO CC(C)(F)c1ncncc1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220670145 774885069 /nfs/dbraw/zinc/88/50/69/774885069.db2.gz GFXJCYGLEMKAHY-NSHDSACASA-N 1 3 307.373 0.106 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN1CCOC[C@H]1C ZINC001220725482 774902400 /nfs/dbraw/zinc/90/24/00/774902400.db2.gz SJJXNMYUHWAPQG-CABCVRRESA-N 1 3 314.474 0.319 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CCC2(CNC2)O1 ZINC001220788969 774915579 /nfs/dbraw/zinc/91/55/79/774915579.db2.gz HSEYDAAANDCWFY-RRFJBIMHSA-N 1 3 316.405 0.369 20 0 DCADHO CCOc1cc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)ccc1O ZINC001220816218 774922551 /nfs/dbraw/zinc/92/25/51/774922551.db2.gz CNJBXXBXQAPSQA-OAHLLOKOSA-N 1 3 307.394 0.734 20 0 DCADHO CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001221008769 774976904 /nfs/dbraw/zinc/97/69/04/774976904.db2.gz ZVEDUXYKKAGQLI-KKUMJFAQSA-N 1 3 324.469 0.513 20 0 DCADHO N[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC001221062941 774987450 /nfs/dbraw/zinc/98/74/50/774987450.db2.gz GFUOEOSEHKEQDJ-RDJZCZTQSA-N 1 3 302.422 0.458 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081938 774991738 /nfs/dbraw/zinc/99/17/38/774991738.db2.gz ZDPUGICUCKDPJI-KFWWJZLASA-N 1 3 315.433 0.772 20 0 DCADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1CNC[C@H](F)C1 ZINC001221121530 775000894 /nfs/dbraw/zinc/00/08/94/775000894.db2.gz IQQSUEYUDLVQLT-GXTWGEPZSA-N 1 3 306.385 0.724 20 0 DCADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1CNCc2ccnn2C1 ZINC001221246081 775042474 /nfs/dbraw/zinc/04/24/74/775042474.db2.gz OQSNBNZPLSIOAB-WMLDXEAASA-N 1 3 317.437 0.641 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1[nH]nc2c1CCNC2 ZINC001221402001 775086670 /nfs/dbraw/zinc/08/66/70/775086670.db2.gz RZGZSDSQKYKSBI-ZDUSSCGKSA-N 1 3 311.389 0.500 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[S@](C)=O)[C@H](C)C1 ZINC001221407804 775091537 /nfs/dbraw/zinc/09/15/37/775091537.db2.gz MTYXXAYZUYHSLI-WUVMZXDYSA-N 1 3 303.472 0.317 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[S@](C)=O)[C@H](C)C1 ZINC001221407804 775091541 /nfs/dbraw/zinc/09/15/41/775091541.db2.gz MTYXXAYZUYHSLI-WUVMZXDYSA-N 1 3 303.472 0.317 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945754 775233736 /nfs/dbraw/zinc/23/37/36/775233736.db2.gz YHQRLLJKVAJJMB-ARFHVFGLSA-N 1 3 309.454 0.897 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945754 775233743 /nfs/dbraw/zinc/23/37/43/775233743.db2.gz YHQRLLJKVAJJMB-ARFHVFGLSA-N 1 3 309.454 0.897 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228225151 776057775 /nfs/dbraw/zinc/05/77/75/776057775.db2.gz ROZZFBNOEDTUPE-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001229869006 776231067 /nfs/dbraw/zinc/23/10/67/776231067.db2.gz UFFJWMCMDMDWMA-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317656353 945147813 /nfs/dbraw/zinc/14/78/13/945147813.db2.gz YEMGAPVDDFIWJG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397489328 939136381 /nfs/dbraw/zinc/13/63/81/939136381.db2.gz GQMFRIYQFPHKMW-AWEZNQCLSA-N 1 3 305.422 0.738 20 0 DCADHO CN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)CN(C)C1CCC1 ZINC001266726291 939221823 /nfs/dbraw/zinc/22/18/23/939221823.db2.gz OWEMRWKVMLVPDD-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCCN1CCCC1=O ZINC001266971688 939294375 /nfs/dbraw/zinc/29/43/75/939294375.db2.gz OJKQPKQUCHAUHC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH2+]CCOCCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267208313 939387924 /nfs/dbraw/zinc/38/79/24/939387924.db2.gz NCNDXMVSZUDYFY-ZDUSSCGKSA-N 1 3 324.425 0.178 20 0 DCADHO CN(CC[NH2+]CCO[C@H]1CC1(F)F)C(=O)CN1CCCC1 ZINC001267469943 939468748 /nfs/dbraw/zinc/46/87/48/939468748.db2.gz RBFDCORQHPEAHU-LBPRGKRZSA-N 1 3 305.369 0.554 20 0 DCADHO CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496296603 939577701 /nfs/dbraw/zinc/57/77/01/939577701.db2.gz PQWYOXMBYSQXOV-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496296603 939577702 /nfs/dbraw/zinc/57/77/02/939577702.db2.gz PQWYOXMBYSQXOV-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCc2cnn(C)c2)C1 ZINC001481279793 939703816 /nfs/dbraw/zinc/70/38/16/939703816.db2.gz KSDDRCNRHOTXHG-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481436006 939789818 /nfs/dbraw/zinc/78/98/18/939789818.db2.gz WRNIXFUWYLWJHI-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481436006 939789819 /nfs/dbraw/zinc/78/98/19/939789819.db2.gz WRNIXFUWYLWJHI-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)CC[NH+]1CCCCC1 ZINC001268499842 940195321 /nfs/dbraw/zinc/19/53/21/940195321.db2.gz QREXGQNQFNEVDJ-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCNC2)cc1 ZINC001245985180 945306773 /nfs/dbraw/zinc/30/67/73/945306773.db2.gz ZZVMAZVTODQXTM-JKSUJKDBSA-N 1 3 308.422 0.957 20 0 DCADHO COc1cccc([C@H](O)CNC2CN(C3CC[NH2+]CC3)C2)c1 ZINC001245989669 945306497 /nfs/dbraw/zinc/30/64/97/945306497.db2.gz MUGNWOVGBFYSBK-QGZVFWFLSA-N 1 3 305.422 0.754 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)C1 ZINC001268582134 940265007 /nfs/dbraw/zinc/26/50/07/940265007.db2.gz GMTSKVMPPFKAQB-CTXXGXLOSA-N 1 3 310.442 0.244 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)C1 ZINC001268582134 940265010 /nfs/dbraw/zinc/26/50/10/940265010.db2.gz GMTSKVMPPFKAQB-CTXXGXLOSA-N 1 3 310.442 0.244 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)C(=O)N1CCCCC1 ZINC001268587390 940270815 /nfs/dbraw/zinc/27/08/15/940270815.db2.gz ISDJWONOGJRCQV-NFAHFFEMSA-N 1 3 324.469 0.601 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)C(=O)N1CCCCC1 ZINC001268587391 940270985 /nfs/dbraw/zinc/27/09/85/940270985.db2.gz ISDJWONOGJRCQV-YVACAVLKSA-N 1 3 324.469 0.601 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001268603992 940294963 /nfs/dbraw/zinc/29/49/63/940294963.db2.gz SQEUUXKHXVCPAU-MUBLQREKSA-N 1 3 318.421 0.498 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001246004328 945311613 /nfs/dbraw/zinc/31/16/13/945311613.db2.gz BSBJPNIHOPEWEO-STQMWFEESA-N 1 3 301.337 0.571 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)COCc1ccccc1 ZINC001246006454 945312074 /nfs/dbraw/zinc/31/20/74/945312074.db2.gz HXPIYXWQLKSZPM-GJZGRUSLSA-N 1 3 309.410 0.137 20 0 DCADHO COC(=O)[C@H](O)CN[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246003005 945312685 /nfs/dbraw/zinc/31/26/85/945312685.db2.gz WNIWUQXANMKIAQ-CABCVRRESA-N 1 3 310.369 0.990 20 0 DCADHO CCCOC[C@@H](O)C[N@@H+]1C[C@H]2CNCC[C@@]2(C(=O)OCC)C1 ZINC001246046733 945327343 /nfs/dbraw/zinc/32/73/43/945327343.db2.gz ORQGKQZIYBXBSX-IJEWVQPXSA-N 1 3 314.426 0.249 20 0 DCADHO CCCOC[C@@H](O)C[N@H+]1C[C@H]2CNCC[C@@]2(C(=O)OCC)C1 ZINC001246046733 945327352 /nfs/dbraw/zinc/32/73/52/945327352.db2.gz ORQGKQZIYBXBSX-IJEWVQPXSA-N 1 3 314.426 0.249 20 0 DCADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246089483 945335252 /nfs/dbraw/zinc/33/52/52/945335252.db2.gz QQBDDHMFIZRLKF-PWNZVWSESA-N 1 3 302.390 0.760 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O ZINC001270174342 940849914 /nfs/dbraw/zinc/84/99/14/940849914.db2.gz LCDUHCPFRFRSMY-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCOC(=O)c1ccnc(CN[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246195032 945361126 /nfs/dbraw/zinc/36/11/26/945361126.db2.gz VIBBARCOCINDDK-ZDUSSCGKSA-N 1 3 304.394 0.442 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338692 941005385 /nfs/dbraw/zinc/00/53/85/941005385.db2.gz JJOVLGQYVKLXRC-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482397661 941209669 /nfs/dbraw/zinc/20/96/69/941209669.db2.gz CKSHMUKTNDQOCL-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482397661 941209670 /nfs/dbraw/zinc/20/96/70/941209670.db2.gz CKSHMUKTNDQOCL-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1)[NH+](C)C ZINC001409087350 941460302 /nfs/dbraw/zinc/46/03/02/941460302.db2.gz ZXNAELJCWBUBGE-AWEZNQCLSA-N 1 3 324.469 0.384 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001271930725 941482320 /nfs/dbraw/zinc/48/23/20/941482320.db2.gz AUGVXXRVEMSWSV-GVDBMIGSSA-N 1 3 322.497 0.955 20 0 DCADHO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCN2C)nn1 ZINC001482860277 941690732 /nfs/dbraw/zinc/69/07/32/941690732.db2.gz GQWCXJOZCHJBBJ-TZMCWYRMSA-N 1 3 321.425 0.564 20 0 DCADHO COc1cncc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001482899363 941701128 /nfs/dbraw/zinc/70/11/28/941701128.db2.gz OQBYWZWDQAXXGM-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001482899363 941701130 /nfs/dbraw/zinc/70/11/30/941701130.db2.gz OQBYWZWDQAXXGM-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO C[NH+]1CCC(CC(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC1 ZINC001483067658 941824226 /nfs/dbraw/zinc/82/42/26/941824226.db2.gz ARKUCUQCTVENRR-GWQWAINWSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483161222 941916470 /nfs/dbraw/zinc/91/64/70/941916470.db2.gz ZBSGCEBUALQQDG-RQJABVFESA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483161222 941916472 /nfs/dbraw/zinc/91/64/72/941916472.db2.gz ZBSGCEBUALQQDG-RQJABVFESA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001409386377 941974671 /nfs/dbraw/zinc/97/46/71/941974671.db2.gz QUUVXORVOARGLE-QWHCGFSZSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCn1cccn1 ZINC001409470273 942010797 /nfs/dbraw/zinc/01/07/97/942010797.db2.gz QENABOLTQQFMAE-NEPJUHHUSA-N 1 3 304.398 0.640 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001276321636 942085647 /nfs/dbraw/zinc/08/56/47/942085647.db2.gz ONZDKUOFJDXIFB-INIZCTEOSA-N 1 3 306.410 0.002 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001276321636 942085652 /nfs/dbraw/zinc/08/56/52/942085652.db2.gz ONZDKUOFJDXIFB-INIZCTEOSA-N 1 3 306.410 0.002 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(C)(C)C ZINC001483280862 942235267 /nfs/dbraw/zinc/23/52/67/942235267.db2.gz DWDGXCLHZGLGLX-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(C)(C)C ZINC001483280862 942235272 /nfs/dbraw/zinc/23/52/72/942235272.db2.gz DWDGXCLHZGLGLX-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)C(=O)NC(C)(C)C ZINC001483494357 942386296 /nfs/dbraw/zinc/38/62/96/942386296.db2.gz FPRQWXHTVZTCQN-GFCCVEGCSA-N 1 3 323.441 0.694 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066776 942426473 /nfs/dbraw/zinc/42/64/73/942426473.db2.gz SEFOLFRMZZZUAS-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066776 942426476 /nfs/dbraw/zinc/42/64/76/942426476.db2.gz SEFOLFRMZZZUAS-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001483599112 942451198 /nfs/dbraw/zinc/45/11/98/942451198.db2.gz PVIMLPSYBMCKKB-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001483599112 942451205 /nfs/dbraw/zinc/45/12/05/942451205.db2.gz PVIMLPSYBMCKKB-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC1=CCCCC1 ZINC001272568079 942829478 /nfs/dbraw/zinc/82/94/78/942829478.db2.gz VIMQNZROCOSJIX-AWEZNQCLSA-N 1 3 306.410 0.828 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483952662 943051790 /nfs/dbraw/zinc/05/17/90/943051790.db2.gz KLWWTNVSVGWPRS-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483952662 943051799 /nfs/dbraw/zinc/05/17/99/943051799.db2.gz KLWWTNVSVGWPRS-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1nnc(CNC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001484376498 943341044 /nfs/dbraw/zinc/34/10/44/943341044.db2.gz ZYAUCEUZIQGFPY-JSGCOSHPSA-N 1 3 322.457 0.639 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001484663396 943498785 /nfs/dbraw/zinc/49/87/85/943498785.db2.gz SBFYNCXSYWDEMJ-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001484663396 943498787 /nfs/dbraw/zinc/49/87/87/943498787.db2.gz SBFYNCXSYWDEMJ-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001484679248 943509960 /nfs/dbraw/zinc/50/99/60/943509960.db2.gz ADPMOIITXATOFN-JQSFKPKSSA-N 1 3 303.834 0.896 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CCC[C@@H](C)O)C1 ZINC001484699904 943521633 /nfs/dbraw/zinc/52/16/33/943521633.db2.gz IIQORTSGJNDMPA-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@](CO)([NH2+]CCC2CC2)C1 ZINC001484850237 943597619 /nfs/dbraw/zinc/59/76/19/943597619.db2.gz CSZIFHSJMBHMCA-MRXNPFEDSA-N 1 3 306.410 0.695 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485158061 943730280 /nfs/dbraw/zinc/73/02/80/943730280.db2.gz WZJAHKPDQZUAKA-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001491252700 943867759 /nfs/dbraw/zinc/86/77/59/943867759.db2.gz CVCPHWIURCZYPS-ZIAGYGMSSA-N 1 3 322.453 0.459 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001491302292 943902328 /nfs/dbraw/zinc/90/23/28/943902328.db2.gz GJFWGSINPIINIX-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@H]([NH2+]CCF)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001485638932 944044816 /nfs/dbraw/zinc/04/48/16/944044816.db2.gz MXPXIGWBBGVRPB-GXTWGEPZSA-N 1 3 301.406 0.646 20 0 DCADHO CNC(=O)C[NH2+][C@H](CCNC(=O)Cc1nc[nH]c1C)C(C)C ZINC001485792318 944138259 /nfs/dbraw/zinc/13/82/59/944138259.db2.gz ZNMSJFLTGJJOHK-GFCCVEGCSA-N 1 3 309.414 0.127 20 0 DCADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001486087501 944546764 /nfs/dbraw/zinc/54/67/64/944546764.db2.gz LBSYVOQZVSKVFJ-DZGCQCFKSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001486087501 944546770 /nfs/dbraw/zinc/54/67/70/944546770.db2.gz LBSYVOQZVSKVFJ-DZGCQCFKSA-N 1 3 324.469 0.705 20 0 DCADHO COCCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001486132161 944588605 /nfs/dbraw/zinc/58/86/05/944588605.db2.gz ZWPZSLLYUZHMOA-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C[C@@H]1C ZINC001486127084 944605608 /nfs/dbraw/zinc/60/56/08/944605608.db2.gz FBAJMJPNIKLZKT-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)C1 ZINC001316924336 944650774 /nfs/dbraw/zinc/65/07/74/944650774.db2.gz NHSLSYIGRWWGDF-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)C1 ZINC001316924336 944650780 /nfs/dbraw/zinc/65/07/80/944650780.db2.gz NHSLSYIGRWWGDF-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001317058845 944766304 /nfs/dbraw/zinc/76/63/04/944766304.db2.gz KEUSOTBPMRBYAO-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(Cc2cn[nH]c2)C3)CC1 ZINC001277361922 944784208 /nfs/dbraw/zinc/78/42/08/944784208.db2.gz UKHKRUWYJATCIH-RHSMWYFYSA-N 1 3 317.437 0.784 20 0 DCADHO C[C@H](O)CN(CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835646 944829650 /nfs/dbraw/zinc/82/96/50/944829650.db2.gz PUQZTJFQQKLUJM-HNNXBMFYSA-N 1 3 322.453 0.722 20 0 DCADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001486466393 944903647 /nfs/dbraw/zinc/90/36/47/944903647.db2.gz IPZHMEKBOZYTSG-UHFFFAOYSA-N 1 3 319.453 0.983 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001317324373 944924264 /nfs/dbraw/zinc/92/42/64/944924264.db2.gz ADRTXUARLNGKQS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1ccnc1NC(=O)[C@@]12C[C@@H]1CCN2CC1CC[NH2+]CC1 ZINC001277824468 944996486 /nfs/dbraw/zinc/99/64/86/944996486.db2.gz RZHYXIVSUCLNDI-XJKSGUPXSA-N 1 3 303.410 0.823 20 0 DCADHO C[NH+]1CCC(NC(=O)[C@@H]2CC23CN(CC2(C)COC2)C3)CC1 ZINC001277934552 945049294 /nfs/dbraw/zinc/04/92/94/945049294.db2.gz WVJSBUQCWYYZQJ-AWEZNQCLSA-N 1 3 307.438 0.555 20 0 DCADHO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246366114 945394439 /nfs/dbraw/zinc/39/44/39/945394439.db2.gz LXEGPHNXWAVWSI-GXTWGEPZSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001486936082 945416198 /nfs/dbraw/zinc/41/61/98/945416198.db2.gz UXLJAHSKQCUXOD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001486936082 945416204 /nfs/dbraw/zinc/41/62/04/945416204.db2.gz UXLJAHSKQCUXOD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246627769 945446695 /nfs/dbraw/zinc/44/66/95/945446695.db2.gz XGARKXNOYRENGA-XHSDSOJGSA-N 1 3 303.406 0.927 20 0 DCADHO FC1(F)CCNC[C@]12CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)C2 ZINC001246638961 945448616 /nfs/dbraw/zinc/44/86/16/945448616.db2.gz NJAYJLBSNJHCHY-PIGZVRMJSA-N 1 3 301.381 0.827 20 0 DCADHO FC1(F)CCNC[C@]12CC[N@H+](C1C[C@@H]3COC[C@H](C1)N3)C2 ZINC001246638961 945448625 /nfs/dbraw/zinc/44/86/25/945448625.db2.gz NJAYJLBSNJHCHY-PIGZVRMJSA-N 1 3 301.381 0.827 20 0 DCADHO O=C1NCCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C12CNC2 ZINC001246636611 945449696 /nfs/dbraw/zinc/44/96/96/945449696.db2.gz ONJFMLRZIPFEKN-JKSUJKDBSA-N 1 3 314.433 0.124 20 0 DCADHO c1ncc(O[C@@H]2C[C@H]3CN(C4CC[NH2+]CC4)CCN3C2)cn1 ZINC001246709472 945466651 /nfs/dbraw/zinc/46/66/51/945466651.db2.gz ONPYPBKKZRZJAI-LSDHHAIUSA-N 1 3 303.410 0.366 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CCN1 ZINC001246713113 945469880 /nfs/dbraw/zinc/46/98/80/945469880.db2.gz BGCICBDUWAXQSA-XZDPQHSOSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CCN1 ZINC001246713113 945469883 /nfs/dbraw/zinc/46/98/83/945469883.db2.gz BGCICBDUWAXQSA-XZDPQHSOSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@H]1C[C@H](N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CC[NH2+]1 ZINC001246713113 945469885 /nfs/dbraw/zinc/46/98/85/945469885.db2.gz BGCICBDUWAXQSA-XZDPQHSOSA-N 1 3 317.437 0.849 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCn1cccn1)C1CCC1 ZINC001319078794 945492894 /nfs/dbraw/zinc/49/28/94/945492894.db2.gz SRXIQPXTYRDCBN-MRXNPFEDSA-N 1 3 319.453 0.948 20 0 DCADHO O=C1[C@H]2C[N@@H+]([C@@H]3CCCNC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246855921 945504516 /nfs/dbraw/zinc/50/45/16/945504516.db2.gz XYFJTKWYTDXLCM-OAGGEKHMSA-N 1 3 313.401 0.855 20 0 DCADHO O=C1[C@H]2C[N@H+]([C@@H]3CCCNC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246855921 945504531 /nfs/dbraw/zinc/50/45/31/945504531.db2.gz XYFJTKWYTDXLCM-OAGGEKHMSA-N 1 3 313.401 0.855 20 0 DCADHO COC(=O)[C@@H]1C[N@@H+](C2CCC(N3CCOCC3)CC2)C[C@H]1N ZINC001246929083 945518863 /nfs/dbraw/zinc/51/88/63/945518863.db2.gz CGRDRVXRVSSVBS-NEXFUWMNSA-N 1 3 311.426 0.062 20 0 DCADHO COC(=O)[C@@H]1C[N@H+](C2CCC(N3CCOCC3)CC2)C[C@H]1N ZINC001246929083 945518870 /nfs/dbraw/zinc/51/88/70/945518870.db2.gz CGRDRVXRVSSVBS-NEXFUWMNSA-N 1 3 311.426 0.062 20 0 DCADHO O[C@@H]1CC[NH2+]C[C@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247759739 945574151 /nfs/dbraw/zinc/57/41/51/945574151.db2.gz VYYISJMBUIYZGO-ZWNOBZJWSA-N 1 3 301.350 0.215 20 0 DCADHO c1cc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc2c1OCO2 ZINC001247828812 945576427 /nfs/dbraw/zinc/57/64/27/945576427.db2.gz GABHNJXSLVYICZ-SNVBAGLBSA-N 1 3 300.318 0.742 20 0 DCADHO c1cc(-c2noc([C@H]3COC4(C[NH2+]C4)C3)n2)nc2c1CNCC2 ZINC001247870313 945582128 /nfs/dbraw/zinc/58/21/28/945582128.db2.gz BTBUNHWDHWGDFV-LLVKDONJSA-N 1 3 313.361 0.623 20 0 DCADHO N[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CCC[NH2+]C1 ZINC001249228514 945623538 /nfs/dbraw/zinc/62/35/38/945623538.db2.gz IGLQXBREQGDTHM-HNNXBMFYSA-N 1 3 300.366 0.315 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F)N(C)C ZINC001320235682 945781251 /nfs/dbraw/zinc/78/12/51/945781251.db2.gz QAJLCFWEQFKFAW-QWRGUYRKSA-N 1 3 313.364 0.592 20 0 DCADHO C[C@H](C(=O)NC[C@H](O)C[NH2+]CCCF)N1CCCCCC1 ZINC001320282453 945800383 /nfs/dbraw/zinc/80/03/83/945800383.db2.gz HWDKCLADMWRCQA-ZIAGYGMSSA-N 1 3 303.422 0.677 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)CN(C)C1CCC1 ZINC001320445772 945882417 /nfs/dbraw/zinc/88/24/17/945882417.db2.gz KALLOVCJKLBUCJ-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001320549616 945921042 /nfs/dbraw/zinc/92/10/42/945921042.db2.gz SRZOLXPGWXHEIF-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ncnn21 ZINC001320998049 946109941 /nfs/dbraw/zinc/10/99/41/946109941.db2.gz MOMDRCCVLVBQDO-DTSKHDKYSA-N 1 3 318.425 0.122 20 0 DCADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCCCCN1C(=O)C=CC1=O ZINC001253405152 946115864 /nfs/dbraw/zinc/11/58/64/946115864.db2.gz QNEGXJDKJARCPU-ZDUSSCGKSA-N 1 3 311.426 0.420 20 0 DCADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCCCCN1C(=O)C=CC1=O ZINC001253405152 946115871 /nfs/dbraw/zinc/11/58/71/946115871.db2.gz QNEGXJDKJARCPU-ZDUSSCGKSA-N 1 3 311.426 0.420 20 0 DCADHO NC(=O)[C@@H]1CCCN1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254030052 946224101 /nfs/dbraw/zinc/22/41/01/946224101.db2.gz UPEZJNTWMIAKIX-INIZCTEOSA-N 1 3 317.433 0.963 20 0 DCADHO O=C1NC[C@@H](C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)O1 ZINC001254055512 946224986 /nfs/dbraw/zinc/22/49/86/946224986.db2.gz RDUJTCGFJGOYRR-OAHLLOKOSA-N 1 3 319.405 0.712 20 0 DCADHO CC(C)([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(N)=O ZINC001254050337 946226912 /nfs/dbraw/zinc/22/69/12/946226912.db2.gz JAEIAGONTUIHCT-UHFFFAOYSA-N 1 3 305.422 0.867 20 0 DCADHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CCn2cncn2)CC1 ZINC001321306273 946265794 /nfs/dbraw/zinc/26/57/94/946265794.db2.gz VCTBANLJFDENGV-IHWYPQMZSA-N 1 3 320.441 0.272 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC1 ZINC001254518118 946403122 /nfs/dbraw/zinc/40/31/22/946403122.db2.gz KMYLCMMURXXIBB-OAGGEKHMSA-N 1 3 317.437 0.850 20 0 DCADHO C[N@H+]1CCC[C@@H](N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC1 ZINC001254518118 946403125 /nfs/dbraw/zinc/40/31/25/946403125.db2.gz KMYLCMMURXXIBB-OAGGEKHMSA-N 1 3 317.437 0.850 20 0 DCADHO CS(=O)(=O)N([C@H]1CCC[NH2+]C1)[C@H]1CC2CCN(CC2)C1 ZINC001254868477 946442596 /nfs/dbraw/zinc/44/25/96/946442596.db2.gz OVWZYTJRUUXIFU-KBPBESRZSA-N 1 3 301.456 0.484 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCc1cnn(C)c1)[NH+](C)C ZINC001410474354 946464431 /nfs/dbraw/zinc/46/44/31/946464431.db2.gz MVCCONJWBFWJGX-DZGCQCFKSA-N 1 3 309.458 0.943 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](CNCCF)C1)[NH+](CC)CC ZINC001273316301 946491816 /nfs/dbraw/zinc/49/18/16/946491816.db2.gz QOZXWRAJWDRXKU-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO C[N@H+](CCO)CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255592533 946534486 /nfs/dbraw/zinc/53/44/86/946534486.db2.gz GATLNIWTTPLHLG-ZDUSSCGKSA-N 1 3 301.431 0.900 20 0 DCADHO C[N@@H+](CCO)CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255592533 946534489 /nfs/dbraw/zinc/53/44/89/946534489.db2.gz GATLNIWTTPLHLG-ZDUSSCGKSA-N 1 3 301.431 0.900 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN(C1CC[NH+](C)CC1)CCC2 ZINC001256205494 946596723 /nfs/dbraw/zinc/59/67/23/946596723.db2.gz UDWKBVXHEYYFBV-UHFFFAOYSA-N 1 3 319.453 0.605 20 0 DCADHO CC(C)NC(=O)c1nn(C2CC[NH+](C)CC2)c2c1CNCC2 ZINC001256208221 946598293 /nfs/dbraw/zinc/59/82/93/946598293.db2.gz ZUKXAVXCJYWFNL-UHFFFAOYSA-N 1 3 305.426 0.934 20 0 DCADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncccc1[O-] ZINC001273325482 946644656 /nfs/dbraw/zinc/64/46/56/946644656.db2.gz NFBWVWBPGUMBGY-HUUCEWRRSA-N 1 3 318.421 0.914 20 0 DCADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncccc1[O-] ZINC001273325482 946644661 /nfs/dbraw/zinc/64/46/61/946644661.db2.gz NFBWVWBPGUMBGY-HUUCEWRRSA-N 1 3 318.421 0.914 20 0 DCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001256626345 946650914 /nfs/dbraw/zinc/65/09/14/946650914.db2.gz OJEHSZPNTOLQBE-MYSGWJLTSA-N 1 3 320.437 0.034 20 0 DCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001256626345 946650918 /nfs/dbraw/zinc/65/09/18/946650918.db2.gz OJEHSZPNTOLQBE-MYSGWJLTSA-N 1 3 320.437 0.034 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2)CCC1 ZINC001410657712 946721877 /nfs/dbraw/zinc/72/18/77/946721877.db2.gz OMWLOLMXWNIOTC-HNNXBMFYSA-N 1 3 305.422 0.738 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)C1=O ZINC001322649365 946758883 /nfs/dbraw/zinc/75/88/83/946758883.db2.gz WCDKMPHLNZVRNV-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)CN1CCC([NH2+]CCNC(=O)N2CCOCC2)CC1 ZINC001258002855 946789636 /nfs/dbraw/zinc/78/96/36/946789636.db2.gz JGMLJWDZMKLDPO-UHFFFAOYSA-N 1 3 312.458 0.738 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322750609 946791121 /nfs/dbraw/zinc/79/11/21/946791121.db2.gz OILCSDJCMFJSLL-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001410726318 946847837 /nfs/dbraw/zinc/84/78/37/946847837.db2.gz ARLMEAHFQPMQNF-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001410726318 946847853 /nfs/dbraw/zinc/84/78/53/946847853.db2.gz ARLMEAHFQPMQNF-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001410758976 946904168 /nfs/dbraw/zinc/90/41/68/946904168.db2.gz XCHBFAFBXWPTDY-MRXNPFEDSA-N 1 3 317.433 0.658 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CCCCCC[NH3+])C2)nn1 ZINC001261493949 947322316 /nfs/dbraw/zinc/32/23/16/947322316.db2.gz YXVUQODVWJWQFE-AWEZNQCLSA-N 1 3 308.430 0.810 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCn2cccn2)C1 ZINC001324225075 947356912 /nfs/dbraw/zinc/35/69/12/947356912.db2.gz HYKTUWVAXYKDPF-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001411125748 947360891 /nfs/dbraw/zinc/36/08/91/947360891.db2.gz LYDJWUWCDVFTKQ-INIZCTEOSA-N 1 3 322.453 0.639 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001411125752 947362050 /nfs/dbraw/zinc/36/20/50/947362050.db2.gz LYDJWUWCDVFTKQ-MRXNPFEDSA-N 1 3 322.453 0.639 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001324565584 947460801 /nfs/dbraw/zinc/46/08/01/947460801.db2.gz WVKKDYDLMOOGEY-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc3c(n2)CNCC3)O1 ZINC001170270101 947614635 /nfs/dbraw/zinc/61/46/35/947614635.db2.gz FLQIDCKTRWABJF-MGPQQGTHSA-N 1 3 307.398 0.259 20 0 DCADHO CON(C)C(=O)CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262564629 947728442 /nfs/dbraw/zinc/72/84/42/947728442.db2.gz OBOFOPAXWXYGLJ-QGZVFWFLSA-N 1 3 321.421 0.623 20 0 DCADHO CON(C)C(=O)CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262564629 947728448 /nfs/dbraw/zinc/72/84/48/947728448.db2.gz OBOFOPAXWXYGLJ-QGZVFWFLSA-N 1 3 321.421 0.623 20 0 DCADHO CCC[NH2+]CCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001263103721 947808710 /nfs/dbraw/zinc/80/87/10/947808710.db2.gz JRHFRDLRCSCUHC-CYBMUJFWSA-N 1 3 304.394 0.628 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481998 947849262 /nfs/dbraw/zinc/84/92/62/947849262.db2.gz NWLSWCMBRARJQB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472244 947849424 /nfs/dbraw/zinc/84/94/24/947849424.db2.gz JJTHCYHDBRWSKI-ZFWWWQNUSA-N 1 3 307.442 0.759 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001179534336 947854019 /nfs/dbraw/zinc/85/40/19/947854019.db2.gz IAWPAMLWASMZGV-ILXRZTDVSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001179534426 947854369 /nfs/dbraw/zinc/85/43/69/947854369.db2.gz LUZCGVVNVXVPCR-IPYPFGDCSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C)C(N)=O ZINC001180156737 947905348 /nfs/dbraw/zinc/90/53/48/947905348.db2.gz DGQUEVAJIQENHK-KKUMJFAQSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCCF)C2)CC[N@@H+]1C ZINC001326977930 948351037 /nfs/dbraw/zinc/35/10/37/948351037.db2.gz JHHSRCTWYVVMIA-HZSPNIEDSA-N 1 3 301.406 0.503 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@H](CNCCF)C2)CC[N@H+]1C ZINC001326977930 948351045 /nfs/dbraw/zinc/35/10/45/948351045.db2.gz JHHSRCTWYVVMIA-HZSPNIEDSA-N 1 3 301.406 0.503 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001494911309 948399779 /nfs/dbraw/zinc/39/97/79/948399779.db2.gz TYGGFGYMLCYKEP-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC(=O)N1CCC1 ZINC001327943123 948670575 /nfs/dbraw/zinc/67/05/75/948670575.db2.gz ZCHFHSFLYQYMRO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001273921891 948681060 /nfs/dbraw/zinc/68/10/60/948681060.db2.gz MKUJVUGRPSASOR-GOSISDBHSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001273921891 948681064 /nfs/dbraw/zinc/68/10/64/948681064.db2.gz MKUJVUGRPSASOR-GOSISDBHSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H](C)C(=O)NC(C)(C)C ZINC001491566937 948731980 /nfs/dbraw/zinc/73/19/80/948731980.db2.gz SVKGNQBARADYTA-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO COCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001264097307 948879565 /nfs/dbraw/zinc/87/95/65/948879565.db2.gz NDUUHCGECKUDFE-KGLIPLIRSA-N 1 3 306.410 0.769 20 0 DCADHO COCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001264097307 948879584 /nfs/dbraw/zinc/87/95/84/948879584.db2.gz NDUUHCGECKUDFE-KGLIPLIRSA-N 1 3 306.410 0.769 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001328826440 949119379 /nfs/dbraw/zinc/11/93/79/949119379.db2.gz XUIIVIYXROXVKK-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001328826440 949119387 /nfs/dbraw/zinc/11/93/87/949119387.db2.gz XUIIVIYXROXVKK-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO CC(=O)[C@](C)(O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC001364381684 949155956 /nfs/dbraw/zinc/15/59/56/949155956.db2.gz MOLYNTFEODWFSH-QGZVFWFLSA-N 1 3 311.470 0.817 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC001488774006 949171143 /nfs/dbraw/zinc/17/11/43/949171143.db2.gz QTBIDQTYNCPWNV-XQLPTFJDSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001328916349 949194492 /nfs/dbraw/zinc/19/44/92/949194492.db2.gz ZUBKOXLQQHZPLE-GPANFISMSA-N 1 3 321.469 0.787 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001488879915 949343137 /nfs/dbraw/zinc/34/31/37/949343137.db2.gz JBYIWASVGVVDCY-HDJSIYSDSA-N 1 3 312.458 0.336 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)C1 ZINC001265181383 949418593 /nfs/dbraw/zinc/41/85/93/949418593.db2.gz YYXJSDCAQQMCAL-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)C1 ZINC001265181383 949418600 /nfs/dbraw/zinc/41/86/00/949418600.db2.gz YYXJSDCAQQMCAL-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](CCO)CCOC)C1)N(C)C ZINC001489171091 949525528 /nfs/dbraw/zinc/52/55/28/949525528.db2.gz XXWCNILANYEOEK-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](CCO)CCOC)C1)N(C)C ZINC001489171091 949525541 /nfs/dbraw/zinc/52/55/41/949525541.db2.gz XXWCNILANYEOEK-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001265930654 950158391 /nfs/dbraw/zinc/15/83/91/950158391.db2.gz HDTSQERRECYPSS-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265941749 950168896 /nfs/dbraw/zinc/16/88/96/950168896.db2.gz IWVOQZIRSRYYRC-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001280000560 950751069 /nfs/dbraw/zinc/75/10/69/950751069.db2.gz VZZXJMUPMQZQCE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO Cn1nccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001280000591 950751870 /nfs/dbraw/zinc/75/18/70/950751870.db2.gz WIDCZWRMJLZZMZ-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001330955751 950788847 /nfs/dbraw/zinc/78/88/47/950788847.db2.gz SZUTWFCONPHUFT-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001330955751 950788862 /nfs/dbraw/zinc/78/88/62/950788862.db2.gz SZUTWFCONPHUFT-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001490594910 950916093 /nfs/dbraw/zinc/91/60/93/950916093.db2.gz JLVMGNCAOBNJBR-ZFWWWQNUSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001490669505 950975080 /nfs/dbraw/zinc/97/50/80/950975080.db2.gz YBFZMJKJPKDMCT-CHWSQXEVSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC001331194956 951009631 /nfs/dbraw/zinc/00/96/31/951009631.db2.gz DHEHGBSWPSPKLJ-AAVRWANBSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2ccnn2C)C2CC2)C1 ZINC001490708855 951024838 /nfs/dbraw/zinc/02/48/38/951024838.db2.gz FBTVDBDZMPGVDI-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC001331946614 951403063 /nfs/dbraw/zinc/40/30/63/951403063.db2.gz AQROOPGMSKHAKG-ZFWWWQNUSA-N 1 3 320.437 0.129 20 0 DCADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC001332339272 951596745 /nfs/dbraw/zinc/59/67/45/951596745.db2.gz GRIMRXJITFQYNS-HDJSIYSDSA-N 1 3 322.453 0.317 20 0 DCADHO Cn1cncc1N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274758630 951826068 /nfs/dbraw/zinc/82/60/68/951826068.db2.gz LIPANDFDDYRCMN-INIZCTEOSA-N 1 3 321.425 0.037 20 0 DCADHO CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001275044789 951940729 /nfs/dbraw/zinc/94/07/29/951940729.db2.gz FVSQPQDFVWTBKP-ZIAGYGMSSA-N 1 3 316.405 0.429 20 0 DCADHO CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3cccc(=O)[nH]3)C[C@H]12 ZINC001275044789 951940733 /nfs/dbraw/zinc/94/07/33/951940733.db2.gz FVSQPQDFVWTBKP-ZIAGYGMSSA-N 1 3 316.405 0.429 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001275174150 951987672 /nfs/dbraw/zinc/98/76/72/951987672.db2.gz SLKJKBMVMLQEBY-GOEBONIOSA-N 1 3 321.469 0.931 20 0 DCADHO CN(C)C1(C(=O)NCC(=O)NCC[NH+]2CCCCC2)CCCC1 ZINC001412125026 952656883 /nfs/dbraw/zinc/65/68/83/952656883.db2.gz FGYQNNMGUOBSAX-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336422278 952695668 /nfs/dbraw/zinc/69/56/68/952695668.db2.gz QLPZRXDPEPPZHW-ZNMIVQPWSA-N 1 3 324.469 0.195 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336422276 952695771 /nfs/dbraw/zinc/69/57/71/952695771.db2.gz QLPZRXDPEPPZHW-RRFJBIMHSA-N 1 3 324.469 0.195 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC001336442913 952699462 /nfs/dbraw/zinc/69/94/62/952699462.db2.gz RXFQHWCFOGQRMU-GASCZTMLSA-N 1 3 324.469 0.197 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001412224613 952707030 /nfs/dbraw/zinc/70/70/30/952707030.db2.gz FJQVZNHUJBJTTR-ZQDZILKHSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001412224613 952707034 /nfs/dbraw/zinc/70/70/34/952707034.db2.gz FJQVZNHUJBJTTR-ZQDZILKHSA-N 1 3 324.469 0.289 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001336726927 952757914 /nfs/dbraw/zinc/75/79/14/952757914.db2.gz GTLGWIVATSKTCG-IRXDYDNUSA-N 1 3 313.486 0.516 20 0 DCADHO Cc1ccoc1C(=O)NCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC001336785744 952765001 /nfs/dbraw/zinc/76/50/01/952765001.db2.gz SYXREXSTNAOFRF-CQSZACIVSA-N 1 3 309.410 0.754 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001336830652 952773173 /nfs/dbraw/zinc/77/31/73/952773173.db2.gz IURMXVCETGHBSG-HNNXBMFYSA-N 1 3 311.474 0.394 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001412534333 952874525 /nfs/dbraw/zinc/87/45/25/952874525.db2.gz PPAYFABJTVHTDU-GVDBMIGSSA-N 1 3 322.497 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001412534333 952874528 /nfs/dbraw/zinc/87/45/28/952874528.db2.gz PPAYFABJTVHTDU-GVDBMIGSSA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001276214682 953012267 /nfs/dbraw/zinc/01/22/67/953012267.db2.gz MKXBTMGRYKYLGQ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO NC1(C(=O)NCC[C@H]2CSCC[NH2+]2)Cc2ccccc2C1 ZINC001548562670 953055277 /nfs/dbraw/zinc/05/52/77/953055277.db2.gz GZXDVEKFXGFRTB-AWEZNQCLSA-N 1 3 305.447 0.694 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001490852704 953124088 /nfs/dbraw/zinc/12/40/88/953124088.db2.gz WQLVNYKOQCQDGG-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001340119232 953146427 /nfs/dbraw/zinc/14/64/27/953146427.db2.gz CLTCMTYUVKAMGR-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C[C@H](C)O1 ZINC001340186168 953153296 /nfs/dbraw/zinc/15/32/96/953153296.db2.gz XBFCZNGLZIKVIQ-KLOLGFOXSA-N 1 3 309.454 0.975 20 0 DCADHO CCCNC(=O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366054428 953628452 /nfs/dbraw/zinc/62/84/52/953628452.db2.gz AIWKQINFBFUHHZ-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001366101031 953685534 /nfs/dbraw/zinc/68/55/34/953685534.db2.gz FNNSAWJEBONWEU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001366104366 953690324 /nfs/dbraw/zinc/69/03/24/953690324.db2.gz OYWFEQLBUDEBAG-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366105630 953690627 /nfs/dbraw/zinc/69/06/27/953690627.db2.gz XEYVBWRORVVWRL-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366105630 953690631 /nfs/dbraw/zinc/69/06/31/953690631.db2.gz XEYVBWRORVVWRL-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001366124016 953714281 /nfs/dbraw/zinc/71/42/81/953714281.db2.gz HISNUPGEOLFOIG-IHRRRGAJSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)nc2)C1)N(C)C ZINC001366126510 953716902 /nfs/dbraw/zinc/71/69/02/953716902.db2.gz MRVUPAFAMADOOK-KKUMJFAQSA-N 1 3 305.426 0.862 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366186910 953796452 /nfs/dbraw/zinc/79/64/52/953796452.db2.gz JMZFXQJGCJQPOO-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366186910 953796457 /nfs/dbraw/zinc/79/64/57/953796457.db2.gz JMZFXQJGCJQPOO-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001366200024 953810901 /nfs/dbraw/zinc/81/09/01/953810901.db2.gz GCHVYGKVXPLQDS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)NC1CC1 ZINC001366204193 953818625 /nfs/dbraw/zinc/81/86/25/953818625.db2.gz NPKPXSXOWQAGET-LBPRGKRZSA-N 1 3 319.409 0.059 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NC1CC1 ZINC001366215786 953837671 /nfs/dbraw/zinc/83/76/71/953837671.db2.gz BQTRRQNLHOEJSI-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NC1CC1 ZINC001366215786 953837691 /nfs/dbraw/zinc/83/76/91/953837691.db2.gz BQTRRQNLHOEJSI-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC001346340060 953861262 /nfs/dbraw/zinc/86/12/62/953861262.db2.gz OIMOJKQKWXJZFG-RDJZCZTQSA-N 1 3 323.485 0.537 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283035362 953942917 /nfs/dbraw/zinc/94/29/17/953942917.db2.gz MUJFBGGRVIEDNQ-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cncn1C ZINC001366298661 953982400 /nfs/dbraw/zinc/98/24/00/953982400.db2.gz YJSPUZUMOAKTOQ-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cncn1C ZINC001366298661 953982406 /nfs/dbraw/zinc/98/24/06/953982406.db2.gz YJSPUZUMOAKTOQ-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001283119551 954029946 /nfs/dbraw/zinc/02/99/46/954029946.db2.gz ZKAAIDXWGICGFW-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)CN1CCC[C@H]1C)[NH+](C)C ZINC001283158105 954079955 /nfs/dbraw/zinc/07/99/55/954079955.db2.gz JBDCBKBSGNSSPW-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001366367283 954105929 /nfs/dbraw/zinc/10/59/29/954105929.db2.gz NYTVMHSFMRKSPP-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)N(C)C ZINC001366393453 954145854 /nfs/dbraw/zinc/14/58/54/954145854.db2.gz TZQUGSVMBRCJJC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001366416676 954172425 /nfs/dbraw/zinc/17/24/25/954172425.db2.gz PGBIVIZEXGMHIB-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001366436608 954193970 /nfs/dbraw/zinc/19/39/70/954193970.db2.gz OUQTXXBLRHBWKC-QLFBSQMISA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001366436608 954193977 /nfs/dbraw/zinc/19/39/77/954193977.db2.gz OUQTXXBLRHBWKC-QLFBSQMISA-N 1 3 315.458 0.257 20 0 DCADHO CN(CC(=O)NCCCNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001283281509 954215800 /nfs/dbraw/zinc/21/58/00/954215800.db2.gz MKMMJKOYUKXPEA-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO Cc1nnsc1C[NH2+][C@@H](C)CCNC(=O)CN1CCCC1 ZINC001366503360 954287781 /nfs/dbraw/zinc/28/77/81/954287781.db2.gz AGJLWBYRNAGBOF-NSHDSACASA-N 1 3 311.455 0.927 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+][C@H]2CCNC2=O)CC1 ZINC001366783207 954843049 /nfs/dbraw/zinc/84/30/49/954843049.db2.gz OAFOBRDSRZEMHR-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001366855803 954943849 /nfs/dbraw/zinc/94/38/49/954943849.db2.gz KEIMMBVHHYIBET-ZIAGYGMSSA-N 1 3 324.425 0.096 20 0 DCADHO COC[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001366855803 954943860 /nfs/dbraw/zinc/94/38/60/954943860.db2.gz KEIMMBVHHYIBET-ZIAGYGMSSA-N 1 3 324.425 0.096 20 0 DCADHO CC(C)[C@H](C(=O)NCCCNC(=O)CN1CCCC1)[NH+](C)C ZINC001350068390 954981577 /nfs/dbraw/zinc/98/15/77/954981577.db2.gz BZRUNJSUWVJBMP-OAHLLOKOSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H](C)C(N)=O ZINC001367152322 955408213 /nfs/dbraw/zinc/40/82/13/955408213.db2.gz VNOXYVIULLMHAQ-WFASDCNBSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cnn(C)c1 ZINC001367274616 955570583 /nfs/dbraw/zinc/57/05/83/955570583.db2.gz WKWYLMXLQQFMRH-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001367282654 955582413 /nfs/dbraw/zinc/58/24/13/955582413.db2.gz BLEPGFBDFCOXBB-ZFWWWQNUSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001353279096 955999788 /nfs/dbraw/zinc/99/97/88/955999788.db2.gz TVKBRKSHWOSRRU-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001100404790 956197213 /nfs/dbraw/zinc/19/72/13/956197213.db2.gz UXXWMVUDFBZDRF-JXQTWKCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]([NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001100404851 956197444 /nfs/dbraw/zinc/19/74/44/956197444.db2.gz XPIPPMHBXKNDKK-IYXRBSQSSA-N 1 3 324.469 0.432 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001356226697 956802496 /nfs/dbraw/zinc/80/24/96/956802496.db2.gz AKSGCEXJJURVKR-RCBDCXJXSA-N 1 3 307.438 0.456 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001357391112 957268586 /nfs/dbraw/zinc/26/85/86/957268586.db2.gz FLOJZOZZOITHSE-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCN(CCCCNC(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001357431265 957285137 /nfs/dbraw/zinc/28/51/37/957285137.db2.gz RDHYGDVJVPKUNX-UHFFFAOYSA-N 1 3 322.497 0.910 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001367374498 957735223 /nfs/dbraw/zinc/73/52/23/957735223.db2.gz GVIQKLDCOQBHCN-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001367374501 957737509 /nfs/dbraw/zinc/73/75/09/957737509.db2.gz GVIQKLDCOQBHCN-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)N1CCCC1 ZINC001367395678 957764438 /nfs/dbraw/zinc/76/44/38/957764438.db2.gz KYWNEYLWDAWSAF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)N1CCCC1 ZINC001367395678 957764442 /nfs/dbraw/zinc/76/44/42/957764442.db2.gz KYWNEYLWDAWSAF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1cncn1C)[NH+](C)C ZINC001367402089 957772023 /nfs/dbraw/zinc/77/20/23/957772023.db2.gz QBODEZHOSAEIFV-ZFWWWQNUSA-N 1 3 309.458 0.943 20 0 DCADHO CCn1nncc1CNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367405208 957774841 /nfs/dbraw/zinc/77/48/41/957774841.db2.gz WMECXZYKDBYJAA-UKRRQHHQSA-N 1 3 324.473 0.821 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@H+](C)C[C@H]1CCc2ncnn21)N(C)C ZINC001367546949 958009200 /nfs/dbraw/zinc/00/92/00/958009200.db2.gz VWLVBLJBGBVPGK-ZIAGYGMSSA-N 1 3 322.457 0.496 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)C[C@H]1CCc2ncnn21)N(C)C ZINC001367546949 958009213 /nfs/dbraw/zinc/00/92/13/958009213.db2.gz VWLVBLJBGBVPGK-ZIAGYGMSSA-N 1 3 322.457 0.496 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001367623491 958205789 /nfs/dbraw/zinc/20/57/89/958205789.db2.gz OVPYGBLCTJWPST-JKSUJKDBSA-N 1 3 307.438 0.902 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001367623486 958207655 /nfs/dbraw/zinc/20/76/55/958207655.db2.gz OVPYGBLCTJWPST-CVEARBPZSA-N 1 3 307.438 0.902 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001367642277 958253205 /nfs/dbraw/zinc/25/32/05/958253205.db2.gz HJXDFXYKKJUPCC-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)c1cc2c(o1)CCCC2 ZINC001367673948 958331212 /nfs/dbraw/zinc/33/12/12/958331212.db2.gz JUORYUYUOAJCDA-PWSUYJOCSA-N 1 3 305.378 0.755 20 0 DCADHO CCN1C[C@@H](C(=O)N[C@H](C)C[NH2+]CC2CC(F)(F)C2)CC1=O ZINC001367674531 958331634 /nfs/dbraw/zinc/33/16/34/958331634.db2.gz IEEBTORHEXLHPJ-PWSUYJOCSA-N 1 3 317.380 0.994 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)Cc1cnn2c1CCCC2 ZINC001367674594 958331673 /nfs/dbraw/zinc/33/16/73/958331673.db2.gz ILVOMNADAKOLEB-OLZOCXBDSA-N 1 3 308.426 0.891 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccn(C(F)F)n1 ZINC001367673333 958331818 /nfs/dbraw/zinc/33/18/18/958331818.db2.gz CZFQLIXOVAIOAN-SECBINFHSA-N 1 3 317.340 0.464 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)c1sccc1Cl ZINC001367673384 958332522 /nfs/dbraw/zinc/33/25/22/958332522.db2.gz DHUFFJJJGCFPIG-VXNVDRBHSA-N 1 3 301.799 0.998 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367705211 958411874 /nfs/dbraw/zinc/41/18/74/958411874.db2.gz CFJMBAFGSSPRTP-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367705211 958411881 /nfs/dbraw/zinc/41/18/81/958411881.db2.gz CFJMBAFGSSPRTP-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001367739184 958474202 /nfs/dbraw/zinc/47/42/02/958474202.db2.gz IXVNFZRMIMUZHV-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC(C)CC1)NC(=O)CC[NH+](C)C ZINC001367751670 958500139 /nfs/dbraw/zinc/50/01/39/958500139.db2.gz CIZDQQROJBTVDN-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001367757400 958512880 /nfs/dbraw/zinc/51/28/80/958512880.db2.gz KJHZJQFEZMLSAT-XQQFMLRXSA-N 1 3 314.474 0.724 20 0 DCADHO C[C@H](CN(C)CCO)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001367831277 958670948 /nfs/dbraw/zinc/67/09/48/958670948.db2.gz IGQYLGNCPKFVTR-CQSZACIVSA-N 1 3 307.438 0.833 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001367854004 958715353 /nfs/dbraw/zinc/71/53/53/958715353.db2.gz VDCCCGFIDVSFQS-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001367854004 958715370 /nfs/dbraw/zinc/71/53/70/958715370.db2.gz VDCCCGFIDVSFQS-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001367854005 958718365 /nfs/dbraw/zinc/71/83/65/958718365.db2.gz VDCCCGFIDVSFQS-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001367854005 958718381 /nfs/dbraw/zinc/71/83/81/958718381.db2.gz VDCCCGFIDVSFQS-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)n[nH]1 ZINC001367886514 958780967 /nfs/dbraw/zinc/78/09/67/958780967.db2.gz LKMGFCAKRJVICB-HONMWMINSA-N 1 3 320.441 0.438 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)n[nH]1 ZINC001367886514 958780985 /nfs/dbraw/zinc/78/09/85/958780985.db2.gz LKMGFCAKRJVICB-HONMWMINSA-N 1 3 320.441 0.438 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)N1CCCC1)C1CC1 ZINC001367909922 958839393 /nfs/dbraw/zinc/83/93/93/958839393.db2.gz IAXXCMBJMMVGSB-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001367916402 958855635 /nfs/dbraw/zinc/85/56/35/958855635.db2.gz AEAVSOVQTBUASI-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001376794357 958858116 /nfs/dbraw/zinc/85/81/16/958858116.db2.gz VWNNYYCAIDFZSB-LBPRGKRZSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)CC1CC1 ZINC001491579365 958871831 /nfs/dbraw/zinc/87/18/31/958871831.db2.gz LEFPYNVMLMPBJI-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001376850739 958980934 /nfs/dbraw/zinc/98/09/34/958980934.db2.gz RADQLWAYKACNKN-CZUORRHYSA-N 1 3 322.453 0.566 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001491637023 958988317 /nfs/dbraw/zinc/98/83/17/958988317.db2.gz PSNFIVHPAVNNAG-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001491637023 958988331 /nfs/dbraw/zinc/98/83/31/958988331.db2.gz PSNFIVHPAVNNAG-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001491637416 958990921 /nfs/dbraw/zinc/99/09/21/958990921.db2.gz JWVUKIHAKDQFEA-OCCSQVGLSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001491637416 958990930 /nfs/dbraw/zinc/99/09/30/958990930.db2.gz JWVUKIHAKDQFEA-OCCSQVGLSA-N 1 3 307.442 0.665 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001376899099 959095744 /nfs/dbraw/zinc/09/57/44/959095744.db2.gz QUBGYJSQBUOKQZ-GJZGRUSLSA-N 1 3 322.453 0.043 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001376900022 959101160 /nfs/dbraw/zinc/10/11/60/959101160.db2.gz AZIXYUURVSNVOP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001376900022 959101163 /nfs/dbraw/zinc/10/11/63/959101163.db2.gz AZIXYUURVSNVOP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001368054685 959158560 /nfs/dbraw/zinc/15/85/60/959158560.db2.gz DLZCILYGQHZFTN-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001376948807 959188045 /nfs/dbraw/zinc/18/80/45/959188045.db2.gz GGSQXINBXRXAPO-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001376967089 959219406 /nfs/dbraw/zinc/21/94/06/959219406.db2.gz HBDZXAAOJQMCIO-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001491811225 959325398 /nfs/dbraw/zinc/32/53/98/959325398.db2.gz CFDSOTCTMTVGPS-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001368156196 959352539 /nfs/dbraw/zinc/35/25/39/959352539.db2.gz FNZLOPIVHFVOQD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001368156196 959352551 /nfs/dbraw/zinc/35/25/51/959352551.db2.gz FNZLOPIVHFVOQD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccn(C)n1 ZINC001492110987 959593734 /nfs/dbraw/zinc/59/37/34/959593734.db2.gz XWYPFWRRDHRDML-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccn(C)n1 ZINC001492110987 959593744 /nfs/dbraw/zinc/59/37/44/959593744.db2.gz XWYPFWRRDHRDML-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001368347055 959711116 /nfs/dbraw/zinc/71/11/16/959711116.db2.gz SVYFJDNYUGSSAH-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001368495188 959942809 /nfs/dbraw/zinc/94/28/09/959942809.db2.gz FTEKNKZOIZELDQ-LXTVHRRPSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC001377461911 960141108 /nfs/dbraw/zinc/14/11/08/960141108.db2.gz LLSVKCOCGNHIOB-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC001377461911 960141115 /nfs/dbraw/zinc/14/11/15/960141115.db2.gz LLSVKCOCGNHIOB-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNCC(F)(F)F ZINC001362959231 960227288 /nfs/dbraw/zinc/22/72/88/960227288.db2.gz USTRWLNEMVXEMW-NSHDSACASA-N 1 3 312.380 0.527 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNCC(F)(F)F ZINC001362959231 960227299 /nfs/dbraw/zinc/22/72/99/960227299.db2.gz USTRWLNEMVXEMW-NSHDSACASA-N 1 3 312.380 0.527 20 0 DCADHO CC[C@H](C(=O)NC1(CO)CC[NH+](CCCF)CC1)N(C)C ZINC001368763012 960237134 /nfs/dbraw/zinc/23/71/34/960237134.db2.gz FSLIVJTUHJGNMZ-CYBMUJFWSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@H](O)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001368779773 960257675 /nfs/dbraw/zinc/25/76/75/960257675.db2.gz LQLQFFPNKPWIOM-XGWLTEMNSA-N 1 3 305.422 0.691 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001368779220 960258200 /nfs/dbraw/zinc/25/82/00/960258200.db2.gz WTRPVOIZPKONSJ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001368779220 960258209 /nfs/dbraw/zinc/25/82/09/960258209.db2.gz WTRPVOIZPKONSJ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO COCC[NH+]1CCC(CO)(NC(=O)CN(C)C2CCC2)CC1 ZINC001377563006 960285181 /nfs/dbraw/zinc/28/51/81/960285181.db2.gz VZTKMQJDAVUWCF-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001368809123 960300798 /nfs/dbraw/zinc/30/07/98/960300798.db2.gz QKWOFYNBYYNHMK-GJZGRUSLSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001368809123 960300809 /nfs/dbraw/zinc/30/08/09/960300809.db2.gz QKWOFYNBYYNHMK-GJZGRUSLSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001377791708 960668040 /nfs/dbraw/zinc/66/80/40/960668040.db2.gz YEYZASCDBXQJHI-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001377791708 960668056 /nfs/dbraw/zinc/66/80/56/960668056.db2.gz YEYZASCDBXQJHI-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001378388113 960685683 /nfs/dbraw/zinc/68/56/83/960685683.db2.gz GHVQFBSEHCZXIK-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CCN2C(=O)CCC[NH+](C)C)CCC1 ZINC001378388114 960687012 /nfs/dbraw/zinc/68/70/12/960687012.db2.gz GHVQFBSEHCZXIK-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001377825290 960739312 /nfs/dbraw/zinc/73/93/12/960739312.db2.gz ZOTKRDIFGRRBNE-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCC(=O)N1CCCC1 ZINC001377834056 960764780 /nfs/dbraw/zinc/76/47/80/960764780.db2.gz APURIWFBUIMVIM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001377845350 960795237 /nfs/dbraw/zinc/79/52/37/960795237.db2.gz ZTTFEYOCZSRSGY-GHMZBOCLSA-N 1 3 308.430 0.438 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001378596125 961099571 /nfs/dbraw/zinc/09/95/71/961099571.db2.gz HOUJYEWVLKFOGX-ZDUSSCGKSA-N 1 3 319.453 0.969 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001378613454 961130037 /nfs/dbraw/zinc/13/00/37/961130037.db2.gz MKQFRZNDIKHXOM-GXTWGEPZSA-N 1 3 310.446 0.243 20 0 DCADHO CCn1ccc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001378655093 961204667 /nfs/dbraw/zinc/20/46/67/961204667.db2.gz YEVNAGOAJNSQRT-UONOGXRCSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001378655093 961204683 /nfs/dbraw/zinc/20/46/83/961204683.db2.gz YEVNAGOAJNSQRT-UONOGXRCSA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001378802387 961506690 /nfs/dbraw/zinc/50/66/90/961506690.db2.gz KCRSJNWVRWPEME-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001378817461 961538380 /nfs/dbraw/zinc/53/83/80/961538380.db2.gz QYAOFHUWAABAGC-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001378817461 961538389 /nfs/dbraw/zinc/53/83/89/961538389.db2.gz QYAOFHUWAABAGC-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)C[C@@H](O)COC)CC1)N(C)C ZINC001378905215 961684957 /nfs/dbraw/zinc/68/49/57/961684957.db2.gz PHQYGRGTGZAREV-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)C[C@@H](O)COC)CC1)N(C)C ZINC001378905215 961684967 /nfs/dbraw/zinc/68/49/67/961684967.db2.gz PHQYGRGTGZAREV-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001378917335 961700529 /nfs/dbraw/zinc/70/05/29/961700529.db2.gz GITTXTAFSHHHND-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001378917335 961700543 /nfs/dbraw/zinc/70/05/43/961700543.db2.gz GITTXTAFSHHHND-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](F)CNC[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379812087 962076729 /nfs/dbraw/zinc/07/67/29/962076729.db2.gz VWJGFSMHEQPDNV-KBPBESRZSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cnnn2C)C2CC2)CC[N@@H+]1C ZINC001379854833 962149807 /nfs/dbraw/zinc/14/98/07/962149807.db2.gz HWCVLDZVLVMGBW-DFBGVHRSSA-N 1 3 320.441 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cnnn2C)C2CC2)CC[N@H+]1C ZINC001379854833 962149821 /nfs/dbraw/zinc/14/98/21/962149821.db2.gz HWCVLDZVLVMGBW-DFBGVHRSSA-N 1 3 320.441 0.140 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnccc1C)N(C)C ZINC001379862165 962162786 /nfs/dbraw/zinc/16/27/86/962162786.db2.gz AHFFOIXIHNFVID-HOTGVXAUSA-N 1 3 322.453 0.639 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379278370 962530753 /nfs/dbraw/zinc/53/07/53/962530753.db2.gz BGOVTNMPRXNDNR-DZGCQCFKSA-N 1 3 322.453 0.662 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC1CCCC1 ZINC001379317618 962610365 /nfs/dbraw/zinc/61/03/65/962610365.db2.gz DANOQPQBLOZTND-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379325040 962628018 /nfs/dbraw/zinc/62/80/18/962628018.db2.gz YIMIZBVIHQPHFJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379325040 962628028 /nfs/dbraw/zinc/62/80/28/962628028.db2.gz YIMIZBVIHQPHFJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001379325689 962628324 /nfs/dbraw/zinc/62/83/24/962628324.db2.gz HGQGTZNOTRVMSF-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001379419644 962881750 /nfs/dbraw/zinc/88/17/50/962881750.db2.gz ODNFIGFBBFBSOU-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001380269626 962962085 /nfs/dbraw/zinc/96/20/85/962962085.db2.gz KKEQAODFLOOTJM-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001379470158 962995107 /nfs/dbraw/zinc/99/51/07/962995107.db2.gz WESGWDPEOBSIHF-GHMZBOCLSA-N 1 3 313.364 0.734 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CCCCC2)C1 ZINC001379480232 963021756 /nfs/dbraw/zinc/02/17/56/963021756.db2.gz RVJGBSHBGMWEJP-HOCLYGCPSA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001379483290 963026284 /nfs/dbraw/zinc/02/62/84/963026284.db2.gz ZJEVHRPGDBMLLO-CZUORRHYSA-N 1 3 315.433 0.676 20 0 DCADHO Cn1ccc(CNC[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001380410589 963170338 /nfs/dbraw/zinc/17/03/38/963170338.db2.gz BFSLWJNFJPPTRT-MRXNPFEDSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001379590282 963228505 /nfs/dbraw/zinc/22/85/05/963228505.db2.gz ULHAXCFXMQAGCH-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]([NH2+]CC(=O)NC1CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001380677157 963481994 /nfs/dbraw/zinc/48/19/94/963481994.db2.gz VZHMKFFRGGXZLK-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001380684342 963488524 /nfs/dbraw/zinc/48/85/24/963488524.db2.gz UZRYWPWIOGSVMT-BTTYYORXSA-N 1 3 306.410 0.612 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001380684342 963488530 /nfs/dbraw/zinc/48/85/30/963488530.db2.gz UZRYWPWIOGSVMT-BTTYYORXSA-N 1 3 306.410 0.612 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001380687122 963490156 /nfs/dbraw/zinc/49/01/56/963490156.db2.gz NHVUXMQDPZQOLN-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCC[NH2+]C1CCN(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001380719636 963521243 /nfs/dbraw/zinc/52/12/43/963521243.db2.gz MUFIATVUNFWDBN-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO CC[C@@H](C(=O)N1CCC(CC)([NH2+]CC(=O)NC)CC1)N(C)C ZINC001381024361 963768444 /nfs/dbraw/zinc/76/84/44/963768444.db2.gz DNVJOPPCTFVZMD-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001381123842 963830361 /nfs/dbraw/zinc/83/03/61/963830361.db2.gz OSKGXVMCVXEQLH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(=O)NC)CC1 ZINC001381127605 963831307 /nfs/dbraw/zinc/83/13/07/963831307.db2.gz GXGWSOWCEYXDAC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@H](O)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001381129476 963833716 /nfs/dbraw/zinc/83/37/16/963833716.db2.gz OFKWNEQUZFFGEX-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO Cc1cnc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)cn1 ZINC001381332854 963977931 /nfs/dbraw/zinc/97/79/31/963977931.db2.gz JMTAPDKHEJFLFD-UHFFFAOYSA-N 1 3 305.426 0.721 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001430431885 1013463835 /nfs/dbraw/zinc/46/38/35/1013463835.db2.gz FAPTYHCPTQFAHF-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001430431885 1013463841 /nfs/dbraw/zinc/46/38/41/1013463841.db2.gz FAPTYHCPTQFAHF-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cnn(C)c2)C2CC2)CC[N@@H+]1C ZINC001375224436 964144963 /nfs/dbraw/zinc/14/49/63/964144963.db2.gz MQHQABYYCHKJRK-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2cnn(C)c2)C2CC2)CC[N@H+]1C ZINC001375224436 964144971 /nfs/dbraw/zinc/14/49/71/964144971.db2.gz MQHQABYYCHKJRK-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+][C@H]1CCCNC1=O)C1CC1)C1CCC1 ZINC001375229601 964154453 /nfs/dbraw/zinc/15/44/53/964154453.db2.gz ODLPGWNVZWEKRR-LSDHHAIUSA-N 1 3 322.453 0.234 20 0 DCADHO Cn1ccc(CNC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC001375236853 964159311 /nfs/dbraw/zinc/15/93/11/964159311.db2.gz BBWNWBWOFAQTGY-JKSUJKDBSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CNC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)n1 ZINC001375236853 964159320 /nfs/dbraw/zinc/15/93/20/964159320.db2.gz BBWNWBWOFAQTGY-JKSUJKDBSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCc1ccnn1C ZINC001368943600 964169115 /nfs/dbraw/zinc/16/91/15/964169115.db2.gz VMTSPMCJYNOJSI-SQWLQELKSA-N 1 3 321.469 0.739 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCc1ccnn1C ZINC001368943600 964169121 /nfs/dbraw/zinc/16/91/21/964169121.db2.gz VMTSPMCJYNOJSI-SQWLQELKSA-N 1 3 321.469 0.739 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001375516350 964493868 /nfs/dbraw/zinc/49/38/68/964493868.db2.gz AIEHXOATPZXPAC-BETUJISGSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001375549483 964542398 /nfs/dbraw/zinc/54/23/98/964542398.db2.gz MBQFZSCYXKLLSL-KKUMJFAQSA-N 1 3 320.441 0.104 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1)[NH+](C)C ZINC001369292232 964666572 /nfs/dbraw/zinc/66/65/72/964666572.db2.gz KYGBHXYKKRFQPA-UKRRQHHQSA-N 1 3 312.458 0.241 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001375653646 964668722 /nfs/dbraw/zinc/66/87/22/964668722.db2.gz VAABVKWJWVZIJQ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001373846303 964708667 /nfs/dbraw/zinc/70/86/67/964708667.db2.gz WNAUCTJAIRBBHY-CYBMUJFWSA-N 1 3 310.442 0.363 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001373862968 964727900 /nfs/dbraw/zinc/72/79/00/964727900.db2.gz BUFPNNAAVCDBGW-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001373970660 964834627 /nfs/dbraw/zinc/83/46/27/964834627.db2.gz IODKEPHXMOAJGV-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cc(C)cc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001369378098 964853732 /nfs/dbraw/zinc/85/37/32/964853732.db2.gz ARXCVGMKQKQIJG-IAGOWNOFSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cc(C)cc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001369378098 964853743 /nfs/dbraw/zinc/85/37/43/964853743.db2.gz ARXCVGMKQKQIJG-IAGOWNOFSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)cn1 ZINC001369390459 964880290 /nfs/dbraw/zinc/88/02/90/964880290.db2.gz LBVVIQWOHYGRKL-IUODEOHRSA-N 1 3 305.426 0.816 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)C1=O ZINC001374111816 965025667 /nfs/dbraw/zinc/02/56/67/965025667.db2.gz FWNUGLZFDHJSJM-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCCF)C1 ZINC001369502401 965099100 /nfs/dbraw/zinc/09/91/00/965099100.db2.gz FSTFAXOHORZULH-KGLIPLIRSA-N 1 3 303.422 0.439 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCF)C1 ZINC001369502401 965099112 /nfs/dbraw/zinc/09/91/12/965099112.db2.gz FSTFAXOHORZULH-KGLIPLIRSA-N 1 3 303.422 0.439 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374306327 965256568 /nfs/dbraw/zinc/25/65/68/965256568.db2.gz QIRPBNMIJDPFCS-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](O)CCCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376135138 965263227 /nfs/dbraw/zinc/26/32/27/965263227.db2.gz PPVMDFSYXQLWNS-CABCVRRESA-N 1 3 309.454 0.966 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374311524 965265989 /nfs/dbraw/zinc/26/59/89/965265989.db2.gz HGLXTPRAEWCULT-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374311524 965266001 /nfs/dbraw/zinc/26/60/01/965266001.db2.gz HGLXTPRAEWCULT-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccnn1C)C1CC1 ZINC001376280318 965474527 /nfs/dbraw/zinc/47/45/27/965474527.db2.gz PFWYNUCOWAMLRG-OAHLLOKOSA-N 1 3 307.442 0.745 20 0 DCADHO Cn1cc(CN2CC[C@@H]3CN(C(=O)CC[NH+](C)C)CC[C@H]32)cn1 ZINC001374560803 965535657 /nfs/dbraw/zinc/53/56/57/965535657.db2.gz FUUAPHMJCLCJFC-HZPDHXFCSA-N 1 3 319.453 0.795 20 0 DCADHO CC[C@@H](F)CNC[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001374658675 965715995 /nfs/dbraw/zinc/71/59/95/965715995.db2.gz CQXIFBNBVQBJHY-HUUCEWRRSA-N 1 3 317.449 0.922 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCCC2)C1)N(C)C ZINC001376492151 965734067 /nfs/dbraw/zinc/73/40/67/965734067.db2.gz SYFSSBRPIDVLQO-ZNMIVQPWSA-N 1 3 324.469 0.622 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374713956 965801418 /nfs/dbraw/zinc/80/14/18/965801418.db2.gz PMVLFJNMQRDILT-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374713956 965801424 /nfs/dbraw/zinc/80/14/24/965801424.db2.gz PMVLFJNMQRDILT-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001370178610 965861111 /nfs/dbraw/zinc/86/11/11/965861111.db2.gz AVFYRCYXTCQNBQ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO NC(=O)CNC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001376609957 965889997 /nfs/dbraw/zinc/88/99/97/965889997.db2.gz HOQPZZDPRHSTAG-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001376610574 965890011 /nfs/dbraw/zinc/89/00/11/965890011.db2.gz OKKFFSZEXSSGLY-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)N(C)C)CC[N@H+]1C ZINC001376610574 965890014 /nfs/dbraw/zinc/89/00/14/965890014.db2.gz OKKFFSZEXSSGLY-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC001376612284 965892345 /nfs/dbraw/zinc/89/23/45/965892345.db2.gz PPOPVQSFDMLQOB-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC001376612284 965892354 /nfs/dbraw/zinc/89/23/54/965892354.db2.gz PPOPVQSFDMLQOB-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001374781543 965912679 /nfs/dbraw/zinc/91/26/79/965912679.db2.gz LSQSYRMKLPKENY-NEPJUHHUSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001374781543 965912691 /nfs/dbraw/zinc/91/26/91/965912691.db2.gz LSQSYRMKLPKENY-NEPJUHHUSA-N 1 3 312.458 0.608 20 0 DCADHO CC[C@@H](C(=O)NC1CCC([NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001376672096 965963587 /nfs/dbraw/zinc/96/35/87/965963587.db2.gz RJLQNCGVEDBTNI-WUCCLRPBSA-N 1 3 315.458 0.351 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001447872734 1013614429 /nfs/dbraw/zinc/61/44/29/1013614429.db2.gz SFZMAGTXHOQHDV-QWHCGFSZSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1cncn1C ZINC001447872114 1013614511 /nfs/dbraw/zinc/61/45/11/1013614511.db2.gz RXHTXUOAQQBSQG-QWHCGFSZSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC1CC1 ZINC001370391409 966075179 /nfs/dbraw/zinc/07/51/79/966075179.db2.gz BYIZUSJWXDEZDH-WFASDCNBSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447907330 1013640453 /nfs/dbraw/zinc/64/04/53/1013640453.db2.gz ROVOHQOOXFSYJB-NEPJUHHUSA-N 1 3 308.430 0.140 20 0 DCADHO COc1coc(CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001370666627 966354070 /nfs/dbraw/zinc/35/40/70/966354070.db2.gz OFFYUUXIMSEPSF-TXEJJXNPSA-N 1 3 323.393 0.337 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001381388968 966370329 /nfs/dbraw/zinc/37/03/29/966370329.db2.gz KYWNRKNMLFFRBE-QWHCGFSZSA-N 1 3 307.442 0.887 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447935756 1013657371 /nfs/dbraw/zinc/65/73/71/1013657371.db2.gz SSHZSVPWAYYRAZ-STQMWFEESA-N 1 3 319.453 0.807 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001370934478 966597735 /nfs/dbraw/zinc/59/77/35/966597735.db2.gz VRXRMFOFEPKOQB-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NC)N(C)C ZINC001447974219 1013677574 /nfs/dbraw/zinc/67/75/74/1013677574.db2.gz PGYCECBTIZRAES-GFCCVEGCSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H](C)C(=O)N(C)C ZINC001371268876 966860304 /nfs/dbraw/zinc/86/03/04/966860304.db2.gz UEXJKJCBSDYUJZ-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382034225 966878675 /nfs/dbraw/zinc/87/86/75/966878675.db2.gz QPDZYRRWDOFRIK-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001382091926 966931905 /nfs/dbraw/zinc/93/19/05/966931905.db2.gz NXBSACZRUSWZHH-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001371379048 966945871 /nfs/dbraw/zinc/94/58/71/966945871.db2.gz QNAZTKUQBCIDGO-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001382124194 966959837 /nfs/dbraw/zinc/95/98/37/966959837.db2.gz SXSVMJRCRDQVLT-ZDUSSCGKSA-N 1 3 318.425 0.902 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001382160360 966991463 /nfs/dbraw/zinc/99/14/63/966991463.db2.gz AKQPHBZBZPOMDZ-QWHCGFSZSA-N 1 3 320.437 0.672 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001382159740 966992698 /nfs/dbraw/zinc/99/26/98/966992698.db2.gz XDTKTDNEANMLGR-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001382159740 966992708 /nfs/dbraw/zinc/99/27/08/966992708.db2.gz XDTKTDNEANMLGR-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001382163665 966996954 /nfs/dbraw/zinc/99/69/54/966996954.db2.gz HWTFKDIVJDZZME-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001371473599 967023160 /nfs/dbraw/zinc/02/31/60/967023160.db2.gz KKYWCHASBKJNBC-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001371473595 967023728 /nfs/dbraw/zinc/02/37/28/967023728.db2.gz KKYWCHASBKJNBC-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC(C)CC1 ZINC001371475423 967024669 /nfs/dbraw/zinc/02/46/69/967024669.db2.gz SGTFDCLKVLDPFN-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC(C)CC1 ZINC001371475423 967024675 /nfs/dbraw/zinc/02/46/75/967024675.db2.gz SGTFDCLKVLDPFN-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(NC[C@H](CO)NCCC(F)(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC001382220559 967086761 /nfs/dbraw/zinc/08/67/61/967086761.db2.gz PXWISWZILBILLB-NEPJUHHUSA-N 1 3 323.359 0.347 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(=O)N(C)C ZINC001371543452 967103199 /nfs/dbraw/zinc/10/31/99/967103199.db2.gz JQKUXFZRJZBLPR-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC1CC(C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001382239859 967107592 /nfs/dbraw/zinc/10/75/92/967107592.db2.gz GVVDCCNTHUFRIQ-YMAMQOFZSA-N 1 3 311.470 0.974 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001371564223 967123182 /nfs/dbraw/zinc/12/31/82/967123182.db2.gz BZLXCDJWXCHBEK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NCc1cnns1 ZINC001371871096 967406838 /nfs/dbraw/zinc/40/68/38/967406838.db2.gz ZEQTZJLUCXLJHJ-NSHDSACASA-N 1 3 309.439 0.618 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CCN([C@H]2CCCNC2=O)CC1 ZINC001382563107 967500753 /nfs/dbraw/zinc/50/07/53/967500753.db2.gz VTKBYFRWIVRUQG-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001382616096 967545005 /nfs/dbraw/zinc/54/50/05/967545005.db2.gz WVRYRBSMLNHINT-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001372956258 968565297 /nfs/dbraw/zinc/56/52/97/968565297.db2.gz ZMGDNQSKFOAQFA-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001372987466 968600993 /nfs/dbraw/zinc/60/09/93/968600993.db2.gz UMVCPBKBRWLKGJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001372987466 968601001 /nfs/dbraw/zinc/60/10/01/968601001.db2.gz UMVCPBKBRWLKGJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cncc1C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001373155890 968767203 /nfs/dbraw/zinc/76/72/03/968767203.db2.gz KWYNHOGTRSBEQE-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001373155890 968767209 /nfs/dbraw/zinc/76/72/09/968767209.db2.gz KWYNHOGTRSBEQE-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001373330568 968946406 /nfs/dbraw/zinc/94/64/06/968946406.db2.gz SZOGMVRTHFXDFF-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001373330568 968946412 /nfs/dbraw/zinc/94/64/12/968946412.db2.gz SZOGMVRTHFXDFF-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1nccn1C ZINC001448561182 1013951488 /nfs/dbraw/zinc/95/14/88/1013951488.db2.gz KIXUWOGACBUWAU-HUUCEWRRSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1nccn1C ZINC001448561182 1013951493 /nfs/dbraw/zinc/95/14/93/1013951493.db2.gz KIXUWOGACBUWAU-HUUCEWRRSA-N 1 3 321.469 0.992 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001448582833 1013957189 /nfs/dbraw/zinc/95/71/89/1013957189.db2.gz GMLAAHKIKDWAGP-TZMCWYRMSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C(=O)CC1CC[NH+](C)CC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001448605598 1013966227 /nfs/dbraw/zinc/96/62/27/1013966227.db2.gz OPLVDGYITFJTNJ-AWEZNQCLSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001431270480 1013974247 /nfs/dbraw/zinc/97/42/47/1013974247.db2.gz NSQVNNAHKRFOMA-OAHLLOKOSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001448664745 1013988526 /nfs/dbraw/zinc/98/85/26/1013988526.db2.gz UKUZDSMDTKRHGE-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448778381 1014034513 /nfs/dbraw/zinc/03/45/13/1014034513.db2.gz VWTHLQLNPKXKGL-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001449010543 1014132585 /nfs/dbraw/zinc/13/25/85/1014132585.db2.gz JYQWTTIGKJEUJD-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)C[C@@H]1C ZINC001449021218 1014139051 /nfs/dbraw/zinc/13/90/51/1014139051.db2.gz QSSBWRJSMBUJLW-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001522827461 1014405460 /nfs/dbraw/zinc/40/54/60/1014405460.db2.gz PYSZLWGWCVRERZ-KFWWJZLASA-N 1 3 315.458 0.569 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001522827461 1014405471 /nfs/dbraw/zinc/40/54/71/1014405471.db2.gz PYSZLWGWCVRERZ-KFWWJZLASA-N 1 3 315.458 0.569 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001449324623 1014411288 /nfs/dbraw/zinc/41/12/88/1014411288.db2.gz MRDXWFDEFFHVOM-UKRRQHHQSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001449324623 1014411291 /nfs/dbraw/zinc/41/12/91/1014411291.db2.gz MRDXWFDEFFHVOM-UKRRQHHQSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cnc([C@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@@H]2[NH3+])c1 ZINC001549738771 1014436177 /nfs/dbraw/zinc/43/61/77/1014436177.db2.gz KMFMTOVFKBBBCT-GJZGRUSLSA-N 1 3 311.389 0.590 20 0 DCADHO CCn1nncc1CNC1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001449401204 1014459172 /nfs/dbraw/zinc/45/91/72/1014459172.db2.gz YYDHVOYQQVTLQK-UHFFFAOYSA-N 1 3 322.457 0.719 20 0 DCADHO CCn1nncc1CNC1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001449401204 1014459180 /nfs/dbraw/zinc/45/91/80/1014459180.db2.gz YYDHVOYQQVTLQK-UHFFFAOYSA-N 1 3 322.457 0.719 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550062358 1014540454 /nfs/dbraw/zinc/54/04/54/1014540454.db2.gz JBZJVYBXVWRBEV-TZMCWYRMSA-N 1 3 306.414 0.242 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550062358 1014540460 /nfs/dbraw/zinc/54/04/60/1014540460.db2.gz JBZJVYBXVWRBEV-TZMCWYRMSA-N 1 3 306.414 0.242 20 0 DCADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001550076536 1014552011 /nfs/dbraw/zinc/55/20/11/1014552011.db2.gz WPOPUYACIRQZAX-VQHPVUNQSA-N 1 3 315.417 0.721 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)CCC34CC(C3)C[NH2+]4)C2)nn1 ZINC001550095182 1014566727 /nfs/dbraw/zinc/56/67/27/1014566727.db2.gz BNWDHSXTUWQGDV-GLWUULTISA-N 1 3 304.398 0.042 20 0 DCADHO C[NH2+][C@H](CC(C)C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001550182800 1014614118 /nfs/dbraw/zinc/61/41/18/1014614118.db2.gz ALBFEMSLWKYZDE-UONOGXRCSA-N 1 3 308.430 0.534 20 0 DCADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202010 1014624809 /nfs/dbraw/zinc/62/48/09/1014624809.db2.gz LWQFHMCHUJKLDR-ZDUSSCGKSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH+](C)[C@@H]1CN(c2cc(N)ncc2Cl)C[C@@H]1n1ccnn1 ZINC001550633576 1014787067 /nfs/dbraw/zinc/78/70/67/1014787067.db2.gz FXOBBQLDUQRXJU-NEPJUHHUSA-N 1 3 307.789 0.900 20 0 DCADHO O=C(CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)NC1CCCC1 ZINC001550914389 1014913451 /nfs/dbraw/zinc/91/34/51/1014913451.db2.gz UWBOKWWVYDRMHU-YOEHRIQHSA-N 1 3 322.453 0.282 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550910959 1014909249 /nfs/dbraw/zinc/90/92/49/1014909249.db2.gz CPJWWPLYHZAKJP-XJKSGUPXSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC001550980039 1014927779 /nfs/dbraw/zinc/92/77/79/1014927779.db2.gz BYPLZALLCZMECD-LSDHHAIUSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001550980039 1014927792 /nfs/dbraw/zinc/92/77/92/1014927792.db2.gz BYPLZALLCZMECD-LSDHHAIUSA-N 1 3 310.442 0.585 20 0 DCADHO CCCN(C)CC(=O)NC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001383423646 984827280 /nfs/dbraw/zinc/82/72/80/984827280.db2.gz FEKYDDPUCUWTBB-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001383423646 984827300 /nfs/dbraw/zinc/82/73/00/984827300.db2.gz FEKYDDPUCUWTBB-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551495211 1015116515 /nfs/dbraw/zinc/11/65/15/1015116515.db2.gz BKFKXLIJHZNHNG-GJEMEMOUSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@H]1C[NH2+]C[C@H]1NC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551495221 1015116535 /nfs/dbraw/zinc/11/65/35/1015116535.db2.gz BKFKXLIJHZNHNG-UJEKJILKSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001384743338 985786877 /nfs/dbraw/zinc/78/68/77/985786877.db2.gz RCUKRLAWWFIDLZ-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001385943821 986701292 /nfs/dbraw/zinc/70/12/92/986701292.db2.gz UESMIOJWXRORAB-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001386102402 986832170 /nfs/dbraw/zinc/83/21/70/986832170.db2.gz XVUGBYXFDAZQPF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)C1 ZINC001552105574 1015271497 /nfs/dbraw/zinc/27/14/97/1015271497.db2.gz FKCBGUVPEASGMR-GBJTYRQASA-N 1 3 310.442 0.368 20 0 DCADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)C1 ZINC001552105574 1015271503 /nfs/dbraw/zinc/27/15/03/1015271503.db2.gz FKCBGUVPEASGMR-GBJTYRQASA-N 1 3 310.442 0.368 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001386350135 987100599 /nfs/dbraw/zinc/10/05/99/987100599.db2.gz UESMIOJWXRORAB-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO COCCN1CCC(NC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552151520 1015292241 /nfs/dbraw/zinc/29/22/41/1015292241.db2.gz ZHXUUOBWFMUCPT-HOTGVXAUSA-N 1 3 309.454 0.849 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001386727056 987343171 /nfs/dbraw/zinc/34/31/71/987343171.db2.gz CQWNVILQCDFPKQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001387785523 988149702 /nfs/dbraw/zinc/14/97/02/988149702.db2.gz PAAFXUDESSEOJF-ZIAGYGMSSA-N 1 3 312.458 0.240 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001387854004 988219624 /nfs/dbraw/zinc/21/96/24/988219624.db2.gz HMJRYJNUODIPCH-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001388723118 988538233 /nfs/dbraw/zinc/53/82/33/988538233.db2.gz WTSFXIUJBMKHFJ-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001388758011 988562155 /nfs/dbraw/zinc/56/21/55/988562155.db2.gz NKSTWTMYJCMVMJ-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](CCO)CCCF)C1)N(C)C ZINC001388779418 988586093 /nfs/dbraw/zinc/58/60/93/988586093.db2.gz OYECNMNQTJIBSN-HUUCEWRRSA-N 1 3 317.449 0.972 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](CCO)CCCF)C1)N(C)C ZINC001388779418 988586100 /nfs/dbraw/zinc/58/61/00/988586100.db2.gz OYECNMNQTJIBSN-HUUCEWRRSA-N 1 3 317.449 0.972 20 0 DCADHO Cn1cc([C@H]2CN(C(=O)NC[C@H]3CCCCN3C)C[C@H]2[NH3+])cn1 ZINC001552352844 1015403021 /nfs/dbraw/zinc/40/30/21/1015403021.db2.gz WORFFFAJKPPGNH-RBSFLKMASA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H](N[C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001388812174 988609955 /nfs/dbraw/zinc/60/99/55/988609955.db2.gz SFAHWPSGDVTYHD-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)CC[NH+](C)C ZINC001388853046 988629217 /nfs/dbraw/zinc/62/92/17/988629217.db2.gz VFIKENCWTYJKLY-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC001388984154 988716432 /nfs/dbraw/zinc/71/64/32/988716432.db2.gz OHCFJHRLIYOVGI-RBSFLKMASA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC001388984154 988716433 /nfs/dbraw/zinc/71/64/33/988716433.db2.gz OHCFJHRLIYOVGI-RBSFLKMASA-N 1 3 324.469 0.338 20 0 DCADHO CN1C(=O)N[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001552414156 1015421322 /nfs/dbraw/zinc/42/13/22/1015421322.db2.gz AGXMMRSDDPKBDN-HOTGVXAUSA-N 1 3 300.406 0.930 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001389382427 989182582 /nfs/dbraw/zinc/18/25/82/989182582.db2.gz QHJMIEKVGAMIBE-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001389382427 989182584 /nfs/dbraw/zinc/18/25/84/989182584.db2.gz QHJMIEKVGAMIBE-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001389510892 989349174 /nfs/dbraw/zinc/34/91/74/989349174.db2.gz WBJPOGSJJXVHSN-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001389738802 989532558 /nfs/dbraw/zinc/53/25/58/989532558.db2.gz XJSOLKHEPLQURD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)CCC1 ZINC001389777720 989564961 /nfs/dbraw/zinc/56/49/61/989564961.db2.gz WTVRODIVHUFBBX-ZDUSSCGKSA-N 1 3 322.453 0.282 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)C[C@@H]1n1ccnn1 ZINC001552679707 1015489301 /nfs/dbraw/zinc/48/93/01/1015489301.db2.gz JHGUNALDRRVKDO-ILXRZTDVSA-N 1 3 312.377 0.223 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001390063924 989787245 /nfs/dbraw/zinc/78/72/45/989787245.db2.gz FHQXRMSEJQPNRB-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001390063924 989787247 /nfs/dbraw/zinc/78/72/47/989787247.db2.gz FHQXRMSEJQPNRB-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COC)C1)N(C)C ZINC001390072569 989795230 /nfs/dbraw/zinc/79/52/30/989795230.db2.gz RAXOMBUZBDCOPL-ILXRZTDVSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COC)C1)N(C)C ZINC001390072569 989795235 /nfs/dbraw/zinc/79/52/35/989795235.db2.gz RAXOMBUZBDCOPL-ILXRZTDVSA-N 1 3 315.458 0.162 20 0 DCADHO CN1CCC[C@H](N2CCC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001390075566 989797396 /nfs/dbraw/zinc/79/73/96/989797396.db2.gz YTEFGDBDDBAUIO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001390099443 989819740 /nfs/dbraw/zinc/81/97/40/989819740.db2.gz WHRMDSRNJHMEGV-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001390404844 990063560 /nfs/dbraw/zinc/06/35/60/990063560.db2.gz ORKKDTVIXKNQJL-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001390404844 990063564 /nfs/dbraw/zinc/06/35/64/990063564.db2.gz ORKKDTVIXKNQJL-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C1CC1 ZINC001390464347 990125083 /nfs/dbraw/zinc/12/50/83/990125083.db2.gz DNKSPYLOEBQSAS-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001390535277 990181266 /nfs/dbraw/zinc/18/12/66/990181266.db2.gz OTQXSCPYMCAOEA-STQMWFEESA-N 1 3 320.437 0.591 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001391226543 990685183 /nfs/dbraw/zinc/68/51/83/990685183.db2.gz NFVCTCCPTPPGPI-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001391303355 990731881 /nfs/dbraw/zinc/73/18/81/990731881.db2.gz ZNDLMYMPFGBROC-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001391303355 990731888 /nfs/dbraw/zinc/73/18/88/990731888.db2.gz ZNDLMYMPFGBROC-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001391815419 991198653 /nfs/dbraw/zinc/19/86/53/991198653.db2.gz QRAZHMWCRJRUNJ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC001391826699 991205932 /nfs/dbraw/zinc/20/59/32/991205932.db2.gz NPEYIJSRSXCHGE-TUVASFSCSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001392136137 991533797 /nfs/dbraw/zinc/53/37/97/991533797.db2.gz CFXDQPXSUANSMK-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001392137871 991535439 /nfs/dbraw/zinc/53/54/39/991535439.db2.gz KVBNSMDYNHQRAM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001392138633 991535625 /nfs/dbraw/zinc/53/56/25/991535625.db2.gz OQCUQJAQDBLEAB-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001392137884 991536421 /nfs/dbraw/zinc/53/64/21/991536421.db2.gz KWTZLGWZFWKWGQ-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO CCn1cc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)nn1 ZINC001392184548 991585063 /nfs/dbraw/zinc/58/50/63/991585063.db2.gz OINKYSAATZOBAA-UKRRQHHQSA-N 1 3 322.457 0.576 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2ccns2)C1 ZINC001392424437 991913595 /nfs/dbraw/zinc/91/35/95/991913595.db2.gz NZIHGDJGLMDHOQ-NWDGAFQWSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2ccns2)C1 ZINC001392424437 991913603 /nfs/dbraw/zinc/91/36/03/991913603.db2.gz NZIHGDJGLMDHOQ-NWDGAFQWSA-N 1 3 312.439 0.052 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CCN[C@H](C)C(N)=O)C1 ZINC001392452377 991946774 /nfs/dbraw/zinc/94/67/74/991946774.db2.gz DOJBEABZWOGUKB-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)CCN[C@H](C)C(N)=O)C1 ZINC001392452377 991946785 /nfs/dbraw/zinc/94/67/85/991946785.db2.gz DOJBEABZWOGUKB-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001392511797 992028208 /nfs/dbraw/zinc/02/82/08/992028208.db2.gz KULBKILMQHKGGX-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)CN2CCOCC2)on1 ZINC001392618363 992164961 /nfs/dbraw/zinc/16/49/61/992164961.db2.gz VNFARXNGLLVHQW-OCCSQVGLSA-N 1 3 324.425 0.546 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CC1)C(N)=O ZINC001392793978 992402117 /nfs/dbraw/zinc/40/21/17/992402117.db2.gz PRFCCVSZFMPUKD-WCQYABFASA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001393599362 993115056 /nfs/dbraw/zinc/11/50/56/993115056.db2.gz XMHWJJOYTYSQBR-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001393739379 993214393 /nfs/dbraw/zinc/21/43/93/993214393.db2.gz HVPSZIHOSVHKOH-UONOGXRCSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001394298161 993604819 /nfs/dbraw/zinc/60/48/19/993604819.db2.gz DOAYMMZWKYMIQQ-YHUYYLMFSA-N 1 3 323.481 0.926 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001394298161 993604824 /nfs/dbraw/zinc/60/48/24/993604824.db2.gz DOAYMMZWKYMIQQ-YHUYYLMFSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001394394594 993678338 /nfs/dbraw/zinc/67/83/38/993678338.db2.gz UJTSYRWQMWTEKD-FVQBIDKESA-N 1 3 321.469 0.991 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001394396855 993678902 /nfs/dbraw/zinc/67/89/02/993678902.db2.gz GYCBESJPQKPZAE-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001394396855 993678899 /nfs/dbraw/zinc/67/88/99/993678899.db2.gz GYCBESJPQKPZAE-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)[C@@H]2CCN(C)C2=O)CC1 ZINC001394401191 993681295 /nfs/dbraw/zinc/68/12/95/993681295.db2.gz XBHSOOGEYZRJTI-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@@H]2CCN(C)C2=O)CC1 ZINC001394401191 993681298 /nfs/dbraw/zinc/68/12/98/993681298.db2.gz XBHSOOGEYZRJTI-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N(C)CC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001394672019 993999818 /nfs/dbraw/zinc/99/98/18/993999818.db2.gz NQZNBHUZAZFYHM-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001394674794 994008305 /nfs/dbraw/zinc/00/83/05/994008305.db2.gz VTHYLXQXANQWPN-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)CN1CCCC1 ZINC001394678202 994009611 /nfs/dbraw/zinc/00/96/11/994009611.db2.gz NUJVPJGFLKVMBU-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)C1CC[NH+](C)CC1 ZINC001400016235 994058656 /nfs/dbraw/zinc/05/86/56/994058656.db2.gz WEJFWBGDJMEFPE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CC1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001394751511 994103973 /nfs/dbraw/zinc/10/39/73/994103973.db2.gz CLECJNXZKAXKGY-HNNXBMFYSA-N 1 3 308.426 0.941 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001400053766 994109155 /nfs/dbraw/zinc/10/91/55/994109155.db2.gz NBLJYCSWPJFQBC-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001400053766 994109159 /nfs/dbraw/zinc/10/91/59/994109159.db2.gz NBLJYCSWPJFQBC-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)C(N)=O)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001400083821 994143309 /nfs/dbraw/zinc/14/33/09/994143309.db2.gz GMYWATXJMFEIEZ-OLZOCXBDSA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001400110743 994162947 /nfs/dbraw/zinc/16/29/47/994162947.db2.gz RMDIZDJIOISVIV-SMDDNHRTSA-N 1 3 321.425 0.433 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(CC(=O)NC3CC3)C2)C1 ZINC001400182859 994245853 /nfs/dbraw/zinc/24/58/53/994245853.db2.gz IVWQAVWUWYIKMB-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(CC(=O)NC3CC3)C2)C1 ZINC001400182859 994245863 /nfs/dbraw/zinc/24/58/63/994245863.db2.gz IVWQAVWUWYIKMB-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CCN1CC[NH+](CC2CC2)CC1)C(=O)[C@@H]1CCCN1C ZINC001400206680 994279331 /nfs/dbraw/zinc/27/93/31/994279331.db2.gz UHGJICQYNRGTOW-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001394968954 994318286 /nfs/dbraw/zinc/31/82/86/994318286.db2.gz BISHQDJLXLYOGG-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001400300108 994395621 /nfs/dbraw/zinc/39/56/21/994395621.db2.gz KSCGMGRXJCFAGF-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001400300108 994395632 /nfs/dbraw/zinc/39/56/32/994395632.db2.gz KSCGMGRXJCFAGF-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001395174276 994486270 /nfs/dbraw/zinc/48/62/70/994486270.db2.gz XYECOPRFWCFVSE-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001507033798 1015908873 /nfs/dbraw/zinc/90/88/73/1015908873.db2.gz AEQMNVXRYFDGTG-TZMCWYRMSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)N(C)C ZINC001400900708 995048265 /nfs/dbraw/zinc/04/82/65/995048265.db2.gz HVEXKJHUYNSKIO-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001400903154 995050418 /nfs/dbraw/zinc/05/04/18/995050418.db2.gz UVRPGBCMTNWRII-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001400903154 995050428 /nfs/dbraw/zinc/05/04/28/995050428.db2.gz UVRPGBCMTNWRII-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001401050564 995136613 /nfs/dbraw/zinc/13/66/13/995136613.db2.gz WDIAKMOVENNGLY-XUXIUFHCSA-N 1 3 312.458 0.463 20 0 DCADHO C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001401090518 995165728 /nfs/dbraw/zinc/16/57/28/995165728.db2.gz SGNRLEKGWRBTAW-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001396477283 995421250 /nfs/dbraw/zinc/42/12/50/995421250.db2.gz IBRYAZGKPCHBPB-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396477283 995421253 /nfs/dbraw/zinc/42/12/53/995421253.db2.gz IBRYAZGKPCHBPB-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001396514776 995442929 /nfs/dbraw/zinc/44/29/29/995442929.db2.gz SLYVQUIHVLJVLR-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396514776 995442931 /nfs/dbraw/zinc/44/29/31/995442931.db2.gz SLYVQUIHVLJVLR-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cncn1C ZINC001507092603 1015976191 /nfs/dbraw/zinc/97/61/91/1015976191.db2.gz ZGIUSECWRGPWQL-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001397668740 996123279 /nfs/dbraw/zinc/12/32/79/996123279.db2.gz VVDUUMWHHXYXTM-KKUMJFAQSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H](CN(C)C(=O)CCCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001507163577 1016045054 /nfs/dbraw/zinc/04/50/54/1016045054.db2.gz MEDRGRYOYRPEQK-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001398618324 996607588 /nfs/dbraw/zinc/60/75/88/996607588.db2.gz FQZZXFUVAPASKR-IGQOVBAYSA-N 1 3 312.458 0.286 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001398662485 996628141 /nfs/dbraw/zinc/62/81/41/996628141.db2.gz VKVFXWDJUQKKGH-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001398662485 996628142 /nfs/dbraw/zinc/62/81/42/996628142.db2.gz VKVFXWDJUQKKGH-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001398724666 996658803 /nfs/dbraw/zinc/65/88/03/996658803.db2.gz KTIOXRXEFVENLB-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001398789125 996688373 /nfs/dbraw/zinc/68/83/73/996688373.db2.gz FYLMMYUSTPUEFH-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001398789125 996688375 /nfs/dbraw/zinc/68/83/75/996688375.db2.gz FYLMMYUSTPUEFH-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NC1CCC([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001398836537 996709092 /nfs/dbraw/zinc/70/90/92/996709092.db2.gz BAFDUXGKAMBBAE-NRXISQOPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccnn1C ZINC001399029050 996856388 /nfs/dbraw/zinc/85/63/88/996856388.db2.gz LVRRQPHXOVDWFO-RDBSUJKOSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccnn1C ZINC001399029050 996856398 /nfs/dbraw/zinc/85/63/98/996856398.db2.gz LVRRQPHXOVDWFO-RDBSUJKOSA-N 1 3 307.442 0.745 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001399096066 996952244 /nfs/dbraw/zinc/95/22/44/996952244.db2.gz AQJSEFFWJVFESH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001399096066 996952258 /nfs/dbraw/zinc/95/22/58/996952258.db2.gz AQJSEFFWJVFESH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001399107639 996972265 /nfs/dbraw/zinc/97/22/65/996972265.db2.gz JSXOGUKSNHRXIT-YPMHNXCESA-N 1 3 315.849 0.971 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001404344946 997014304 /nfs/dbraw/zinc/01/43/04/997014304.db2.gz OPNCPLIHHZMSEQ-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001399175490 997052791 /nfs/dbraw/zinc/05/27/91/997052791.db2.gz RBPSZLVYAXQKAC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001399175490 997052805 /nfs/dbraw/zinc/05/28/05/997052805.db2.gz RBPSZLVYAXQKAC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001399243714 997118139 /nfs/dbraw/zinc/11/81/39/997118139.db2.gz NXOLGHNMSBCCCQ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC(O)(CNCCF)CC2)CC1 ZINC001502883162 1016115985 /nfs/dbraw/zinc/11/59/85/1016115985.db2.gz ASSNPNHKGQQXBX-UHFFFAOYSA-N 1 3 301.406 0.241 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001507234533 1016159922 /nfs/dbraw/zinc/15/99/22/1016159922.db2.gz ZOSOJZUDRSMDQY-GDBMZVCRSA-N 1 3 323.481 0.975 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(CC)C1=O ZINC001405368210 998158236 /nfs/dbraw/zinc/15/82/36/998158236.db2.gz JKDAQMFRFDCRLX-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001405562401 998330597 /nfs/dbraw/zinc/33/05/97/998330597.db2.gz IYEORAWOFRSLDT-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCC2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001405581464 998352234 /nfs/dbraw/zinc/35/22/34/998352234.db2.gz PFLCUQIZZDELKZ-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCC2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001405581464 998352247 /nfs/dbraw/zinc/35/22/47/998352247.db2.gz PFLCUQIZZDELKZ-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001511202044 1016210586 /nfs/dbraw/zinc/21/05/86/1016210586.db2.gz DNQWKBWZUARAPP-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001507331020 1016257954 /nfs/dbraw/zinc/25/79/54/1016257954.db2.gz ISHQZMNWYCPVPP-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001468991385 1016296827 /nfs/dbraw/zinc/29/68/27/1016296827.db2.gz CWFZAAOGPVDYSF-AVOUXACISA-N 1 3 310.442 0.632 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001468991385 1016296831 /nfs/dbraw/zinc/29/68/31/1016296831.db2.gz CWFZAAOGPVDYSF-AVOUXACISA-N 1 3 310.442 0.632 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001507444180 1016332176 /nfs/dbraw/zinc/33/21/76/1016332176.db2.gz TXJLQPNRWBQTKR-CHWSQXEVSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001401121411 1000208723 /nfs/dbraw/zinc/20/87/23/1000208723.db2.gz MZMJLIFEAFPQRH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)N1CCC[C@@H]1CNC(=O)CN1CCCC1 ZINC001418645309 1000415979 /nfs/dbraw/zinc/41/59/79/1000415979.db2.gz FIWLHGFJNHVERI-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001418819936 1000547331 /nfs/dbraw/zinc/54/73/31/1000547331.db2.gz GUYBFNQDKODAAA-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H](C)C(=O)NC(C)(C)C ZINC001418833339 1000558412 /nfs/dbraw/zinc/55/84/12/1000558412.db2.gz UFLXRXAHCJOEFQ-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H](C)C(=O)NC(C)(C)C ZINC001418833339 1000558419 /nfs/dbraw/zinc/55/84/19/1000558419.db2.gz UFLXRXAHCJOEFQ-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(C)(C)C ZINC001401651885 1000592024 /nfs/dbraw/zinc/59/20/24/1000592024.db2.gz DWDGXCLHZGLGLX-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(C)(C)C ZINC001401651885 1000592031 /nfs/dbraw/zinc/59/20/31/1000592031.db2.gz DWDGXCLHZGLGLX-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001401725833 1000661808 /nfs/dbraw/zinc/66/18/08/1000661808.db2.gz XGDTXKXVMSOWDK-XJKSGUPXSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001401824141 1000761237 /nfs/dbraw/zinc/76/12/37/1000761237.db2.gz MNNXOTRINHMZIT-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1)C1CCC1 ZINC001401846801 1000783096 /nfs/dbraw/zinc/78/30/96/1000783096.db2.gz VEHVNIRXKKYDSH-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001401862166 1000796424 /nfs/dbraw/zinc/79/64/24/1000796424.db2.gz FFAFZJVHEHULED-IUODEOHRSA-N 1 3 306.410 0.782 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1ncnn1C ZINC001401863405 1000797706 /nfs/dbraw/zinc/79/77/06/1000797706.db2.gz GKOJNMJVZUEQKM-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCCC1 ZINC001419217208 1000886390 /nfs/dbraw/zinc/88/63/90/1000886390.db2.gz GGAWIWZKWCGSDM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](N[C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1)C(N)=O ZINC001419332476 1000981086 /nfs/dbraw/zinc/98/10/86/1000981086.db2.gz YTHPIDTWUNFJAW-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]([NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001419346586 1000991356 /nfs/dbraw/zinc/99/13/56/1000991356.db2.gz WFLOZJKOVMZUJI-BZNIZROVSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](C(=O)NC1(C)CC[NH+](CCn2cncn2)CC1)N(C)C ZINC001402087550 1001005532 /nfs/dbraw/zinc/00/55/32/1001005532.db2.gz GGTRCESAZDFABO-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1)N(C)C ZINC001419522337 1001113360 /nfs/dbraw/zinc/11/33/60/1001113360.db2.gz SRPKZHRTSNEESK-MJBXVCDLSA-N 1 3 312.458 0.430 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC12CCN([C@@H](C)C(=O)NC)CC2 ZINC001402249634 1001137411 /nfs/dbraw/zinc/13/74/11/1001137411.db2.gz VAYZEICQQPBEID-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CCN([C@@H](C)C(=O)NC)CC2 ZINC001402249634 1001137415 /nfs/dbraw/zinc/13/74/15/1001137415.db2.gz VAYZEICQQPBEID-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccnn1C)C1CC1)N(C)C ZINC001402312602 1001205682 /nfs/dbraw/zinc/20/56/82/1001205682.db2.gz HCWCCRZIUPXVNQ-LSDHHAIUSA-N 1 3 307.442 0.745 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001419678751 1001217668 /nfs/dbraw/zinc/21/76/68/1001217668.db2.gz WQPHWBSGXACOJH-NQBHXWOUSA-N 1 3 308.430 0.390 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001419678751 1001217672 /nfs/dbraw/zinc/21/76/72/1001217672.db2.gz WQPHWBSGXACOJH-NQBHXWOUSA-N 1 3 308.430 0.390 20 0 DCADHO C[C@@H](O)CCCN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402460283 1001330670 /nfs/dbraw/zinc/33/06/70/1001330670.db2.gz HHDHZKVWSPLARY-GDBMZVCRSA-N 1 3 315.458 0.042 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN([C@@H](C)COC)C1 ZINC001402476488 1001347465 /nfs/dbraw/zinc/34/74/65/1001347465.db2.gz WKZTVYMVQACDOJ-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN([C@@H](C)COC)C1 ZINC001402476488 1001347469 /nfs/dbraw/zinc/34/74/69/1001347469.db2.gz WKZTVYMVQACDOJ-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001402554755 1001404583 /nfs/dbraw/zinc/40/45/83/1001404583.db2.gz WDUQWPYYLWUZRV-SHTZXODSSA-N 1 3 307.442 0.540 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001402610092 1001440730 /nfs/dbraw/zinc/44/07/30/1001440730.db2.gz HETHZOZFXXFQBH-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001402610092 1001440732 /nfs/dbraw/zinc/44/07/32/1001440732.db2.gz HETHZOZFXXFQBH-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CN1CCC[C@H](N2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001402624863 1001447418 /nfs/dbraw/zinc/44/74/18/1001447418.db2.gz OCIYJUYKWIMBCX-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001402775551 1001496870 /nfs/dbraw/zinc/49/68/70/1001496870.db2.gz AMERECHGPOLRQS-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001402775551 1001496872 /nfs/dbraw/zinc/49/68/72/1001496872.db2.gz AMERECHGPOLRQS-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001402777988 1001497711 /nfs/dbraw/zinc/49/77/11/1001497711.db2.gz NJSWPSJYZWZBKF-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC(N)=O ZINC001402776365 1001497993 /nfs/dbraw/zinc/49/79/93/1001497993.db2.gz VHSGFMZSAGNMML-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC1CC1 ZINC001402779577 1001498865 /nfs/dbraw/zinc/49/88/65/1001498865.db2.gz BDHPLWJRJSCERR-SWLSCSKDSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402895841 1001562036 /nfs/dbraw/zinc/56/20/36/1001562036.db2.gz VZKBFSLGDFXBPI-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402895841 1001562040 /nfs/dbraw/zinc/56/20/40/1001562040.db2.gz VZKBFSLGDFXBPI-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403046999 1001648779 /nfs/dbraw/zinc/64/87/79/1001648779.db2.gz NGZPJRGQZUNULO-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001403254455 1001765057 /nfs/dbraw/zinc/76/50/57/1001765057.db2.gz QKJSKTDUQXIBJV-GDBMZVCRSA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)Cc1ccn(C)c(=O)c1 ZINC001420036536 1001777568 /nfs/dbraw/zinc/77/75/68/1001777568.db2.gz OSEKOCXISBHGGL-UHFFFAOYSA-N 1 3 322.453 0.617 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)Cc1ccn(C)c(=O)c1 ZINC001420036536 1001777571 /nfs/dbraw/zinc/77/75/71/1001777571.db2.gz OSEKOCXISBHGGL-UHFFFAOYSA-N 1 3 322.453 0.617 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)C1 ZINC001403314328 1001803982 /nfs/dbraw/zinc/80/39/82/1001803982.db2.gz CTSCEQLIKQAXOI-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)C1 ZINC001403314328 1001803990 /nfs/dbraw/zinc/80/39/90/1001803990.db2.gz CTSCEQLIKQAXOI-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001420087741 1001830867 /nfs/dbraw/zinc/83/08/67/1001830867.db2.gz NOOLFISBQRSWJU-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NCC(=O)N1CCC1 ZINC001505761017 1016532508 /nfs/dbraw/zinc/53/25/08/1016532508.db2.gz QFURJVSTKKRXHQ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001403432482 1001958349 /nfs/dbraw/zinc/95/83/49/1001958349.db2.gz CGWSXQHRYDCFNZ-KBUPBQIOSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001420232888 1002084473 /nfs/dbraw/zinc/08/44/73/1002084473.db2.gz HXLPJANUKJOXIH-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cnn(C)c1 ZINC001403562061 1002142838 /nfs/dbraw/zinc/14/28/38/1002142838.db2.gz QBQFWPBRPPXKCF-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cnn(C)c1 ZINC001403562061 1002142841 /nfs/dbraw/zinc/14/28/41/1002142841.db2.gz QBQFWPBRPPXKCF-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001403596849 1002186624 /nfs/dbraw/zinc/18/66/24/1002186624.db2.gz HRMSMYWKWJWUBQ-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C[C@H]1C ZINC001403746710 1002458937 /nfs/dbraw/zinc/45/89/37/1002458937.db2.gz JPKNQVCCWRXUMX-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C[C@H]1C ZINC001403746710 1002458943 /nfs/dbraw/zinc/45/89/43/1002458943.db2.gz JPKNQVCCWRXUMX-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C[C@@H]1C ZINC001403746706 1002459175 /nfs/dbraw/zinc/45/91/75/1002459175.db2.gz JPKNQVCCWRXUMX-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C[C@@H]1C ZINC001403746706 1002459182 /nfs/dbraw/zinc/45/91/82/1002459182.db2.gz JPKNQVCCWRXUMX-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001403762077 1002483650 /nfs/dbraw/zinc/48/36/50/1002483650.db2.gz RCTRYIHDULUSOW-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001403782523 1002517938 /nfs/dbraw/zinc/51/79/38/1002517938.db2.gz ZTXQWRZJRLGQGA-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C)C(N)=O ZINC001403803193 1002543821 /nfs/dbraw/zinc/54/38/21/1002543821.db2.gz IXCORFJRMLAZFE-NWDGAFQWSA-N 1 3 310.442 0.029 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001420560033 1002615831 /nfs/dbraw/zinc/61/58/31/1002615831.db2.gz YYBNXDUWXGZILO-JSGCOSHPSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC001420560033 1002615838 /nfs/dbraw/zinc/61/58/38/1002615838.db2.gz YYBNXDUWXGZILO-JSGCOSHPSA-N 1 3 308.426 0.860 20 0 DCADHO C[C@@H](C(=O)N(C)C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001425432158 1002669624 /nfs/dbraw/zinc/66/96/24/1002669624.db2.gz GTEPDGSNYXFCOA-UONOGXRCSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H](C(=O)N(C)C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001425432158 1002669629 /nfs/dbraw/zinc/66/96/29/1002669629.db2.gz GTEPDGSNYXFCOA-UONOGXRCSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)N[C@H](C)C(N)=O ZINC001425587939 1002855525 /nfs/dbraw/zinc/85/55/25/1002855525.db2.gz BGFNJEKKOWPEMG-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001420746370 1002908149 /nfs/dbraw/zinc/90/81/49/1002908149.db2.gz YEXCZINJYVNYLK-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001425664402 1002941010 /nfs/dbraw/zinc/94/10/10/1002941010.db2.gz UYQIZNHUVMREPQ-IUODEOHRSA-N 1 3 303.422 0.628 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001425667804 1002943560 /nfs/dbraw/zinc/94/35/60/1002943560.db2.gz XSZIWOSBYYSDLI-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001404066372 1002965475 /nfs/dbraw/zinc/96/54/75/1002965475.db2.gz BWIXUMVKSPAIDR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001404066372 1002965483 /nfs/dbraw/zinc/96/54/83/1002965483.db2.gz BWIXUMVKSPAIDR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405821698 1003110872 /nfs/dbraw/zinc/11/08/72/1003110872.db2.gz FFOCDCVAOXHSRS-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001425879587 1003211583 /nfs/dbraw/zinc/21/15/83/1003211583.db2.gz ACFGVKSGEHHZBJ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NCC2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001425883529 1003220958 /nfs/dbraw/zinc/22/09/58/1003220958.db2.gz RHNLPORWQWEULC-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cn(C)nn2)[C@@H](C)C1 ZINC001405966986 1003227604 /nfs/dbraw/zinc/22/76/04/1003227604.db2.gz JRDAAOPWLKIHMC-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cn(C)nn2)[C@@H](C)C1 ZINC001405966986 1003227610 /nfs/dbraw/zinc/22/76/10/1003227610.db2.gz JRDAAOPWLKIHMC-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO CCCC[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001421006327 1003230452 /nfs/dbraw/zinc/23/04/52/1003230452.db2.gz ZGLLNRBBXIPMES-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CCCC[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001421006327 1003230457 /nfs/dbraw/zinc/23/04/57/1003230457.db2.gz ZGLLNRBBXIPMES-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(N)=O ZINC001406007057 1003258609 /nfs/dbraw/zinc/25/86/09/1003258609.db2.gz WAFKERFUMRSJQU-KGLIPLIRSA-N 1 3 321.425 0.577 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN(C)CCc1cnn(C)c1)[NH+](C)C ZINC001406148654 1003419107 /nfs/dbraw/zinc/41/91/07/1003419107.db2.gz BDSBYKJQBQWCSB-INIZCTEOSA-N 1 3 323.485 0.939 20 0 DCADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001421242100 1003476455 /nfs/dbraw/zinc/47/64/55/1003476455.db2.gz WDQXFHWVASLVBD-IUODEOHRSA-N 1 3 310.442 0.173 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001406212409 1003482809 /nfs/dbraw/zinc/48/28/09/1003482809.db2.gz KSOBZOBEHMRGEG-KGLIPLIRSA-N 1 3 315.458 0.353 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCc1cccnc1 ZINC001406250979 1003526360 /nfs/dbraw/zinc/52/63/60/1003526360.db2.gz UYNSNEMMKQVPGY-JKSUJKDBSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)CNCc1cccnc1 ZINC001406250979 1003526367 /nfs/dbraw/zinc/52/63/67/1003526367.db2.gz UYNSNEMMKQVPGY-JKSUJKDBSA-N 1 3 320.437 0.523 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001421317042 1003532657 /nfs/dbraw/zinc/53/26/57/1003532657.db2.gz GJAXAVYWXFJECQ-CYBMUJFWSA-N 1 3 321.412 0.784 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001421317042 1003532662 /nfs/dbraw/zinc/53/26/62/1003532662.db2.gz GJAXAVYWXFJECQ-CYBMUJFWSA-N 1 3 321.412 0.784 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCCF)C1)C1CCC1 ZINC001421358258 1003583519 /nfs/dbraw/zinc/58/35/19/1003583519.db2.gz BTGYCMQEPSCIDK-OAHLLOKOSA-N 1 3 301.406 0.383 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1)C1CCC1 ZINC001421358258 1003583525 /nfs/dbraw/zinc/58/35/25/1003583525.db2.gz BTGYCMQEPSCIDK-OAHLLOKOSA-N 1 3 301.406 0.383 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406520352 1003784543 /nfs/dbraw/zinc/78/45/43/1003784543.db2.gz NYUCDTPBWZZZFY-RYUDHWBXSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCc1ccnn1C ZINC001505989100 1016829575 /nfs/dbraw/zinc/82/95/75/1016829575.db2.gz QIXGRCJWTXKFNZ-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)NC(=O)CN1CCCC1 ZINC001428594364 1004043614 /nfs/dbraw/zinc/04/36/14/1004043614.db2.gz XRBQEHNSNJIUMJ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001406769827 1004075953 /nfs/dbraw/zinc/07/59/53/1004075953.db2.gz FLRPIOBYRZSQSW-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001406769827 1004075960 /nfs/dbraw/zinc/07/59/60/1004075960.db2.gz FLRPIOBYRZSQSW-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001428656668 1004094768 /nfs/dbraw/zinc/09/47/68/1004094768.db2.gz JPJWFJSMMXOPST-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428656668 1004094774 /nfs/dbraw/zinc/09/47/74/1004094774.db2.gz JPJWFJSMMXOPST-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001428743756 1004142830 /nfs/dbraw/zinc/14/28/30/1004142830.db2.gz QQXKGNCXTWXHFE-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001428743756 1004142837 /nfs/dbraw/zinc/14/28/37/1004142837.db2.gz QQXKGNCXTWXHFE-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001428871746 1004231900 /nfs/dbraw/zinc/23/19/00/1004231900.db2.gz GHTFQQVDRKVMRY-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001407108146 1004389177 /nfs/dbraw/zinc/38/91/77/1004389177.db2.gz HUBCFQBJQYHXHX-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001427645213 1004507704 /nfs/dbraw/zinc/50/77/04/1004507704.db2.gz LKPHIAHIOHRJMX-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001407300038 1004526587 /nfs/dbraw/zinc/52/65/87/1004526587.db2.gz RCGJHSXPDMVRMG-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001407300038 1004526595 /nfs/dbraw/zinc/52/65/95/1004526595.db2.gz RCGJHSXPDMVRMG-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO COCCN1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001407387070 1004616038 /nfs/dbraw/zinc/61/60/38/1004616038.db2.gz ICZFWTWGEYECKM-GDBMZVCRSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001407387070 1004616044 /nfs/dbraw/zinc/61/60/44/1004616044.db2.gz ICZFWTWGEYECKM-GDBMZVCRSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001407781940 1004857422 /nfs/dbraw/zinc/85/74/22/1004857422.db2.gz XCSYLQPSZSRHPZ-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001407781940 1004857427 /nfs/dbraw/zinc/85/74/27/1004857427.db2.gz XCSYLQPSZSRHPZ-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001408303628 1005150732 /nfs/dbraw/zinc/15/07/32/1005150732.db2.gz LAAJNDOFOAXHHQ-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001414539724 1005356183 /nfs/dbraw/zinc/35/61/83/1005356183.db2.gz ZFHSHMIATXXTGJ-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001414539724 1005356184 /nfs/dbraw/zinc/35/61/84/1005356184.db2.gz ZFHSHMIATXXTGJ-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001414637064 1005374017 /nfs/dbraw/zinc/37/40/17/1005374017.db2.gz XXVUQWBIKQGBCT-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001415009202 1005441303 /nfs/dbraw/zinc/44/13/03/1005441303.db2.gz PSIKZRXCSLMPJB-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001415009202 1005441304 /nfs/dbraw/zinc/44/13/04/1005441304.db2.gz PSIKZRXCSLMPJB-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001415191774 1005479014 /nfs/dbraw/zinc/47/90/14/1005479014.db2.gz SQLFIEKEVBVODD-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415191774 1005479016 /nfs/dbraw/zinc/47/90/16/1005479016.db2.gz SQLFIEKEVBVODD-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001415532021 1005555407 /nfs/dbraw/zinc/55/54/07/1005555407.db2.gz GAEIJEBVRHCIKQ-ZIAGYGMSSA-N 1 3 314.474 0.487 20 0 DCADHO CN1C[C@]23C[N@H+](CCCN4C(=O)CNC4=O)C[C@@]2(C1)CCCC3 ZINC001473900743 1016992282 /nfs/dbraw/zinc/99/22/82/1016992282.db2.gz FLTKYCINKLEQDM-CALCHBBNSA-N 1 3 320.437 0.736 20 0 DCADHO CN1C[C@]23C[N@@H+](CCCN4C(=O)CNC4=O)C[C@@]2(C1)CCCC3 ZINC001473900743 1016992286 /nfs/dbraw/zinc/99/22/86/1016992286.db2.gz FLTKYCINKLEQDM-CALCHBBNSA-N 1 3 320.437 0.736 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001417160259 1005795756 /nfs/dbraw/zinc/79/57/56/1005795756.db2.gz GPCVVPJKQUXHID-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001417160259 1005795757 /nfs/dbraw/zinc/79/57/57/1005795757.db2.gz GPCVVPJKQUXHID-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001417766956 1005886500 /nfs/dbraw/zinc/88/65/00/1005886500.db2.gz AGXFDLONIYQBSO-IGQOVBAYSA-N 1 3 312.458 0.192 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCCO)C1 ZINC001417824187 1005897222 /nfs/dbraw/zinc/89/72/22/1005897222.db2.gz UZOYGIRXAZJOEI-QAETUUGQSA-N 1 3 323.481 0.879 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCCO)C1 ZINC001417824187 1005897223 /nfs/dbraw/zinc/89/72/23/1005897223.db2.gz UZOYGIRXAZJOEI-QAETUUGQSA-N 1 3 323.481 0.879 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001417896382 1005918013 /nfs/dbraw/zinc/91/80/13/1005918013.db2.gz PPFBLBBEEUQBJK-AWEZNQCLSA-N 1 3 303.422 0.581 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C2CC2)CCC1 ZINC001417983707 1005947728 /nfs/dbraw/zinc/94/77/28/1005947728.db2.gz HZTWRLAYZFGXTI-KGLIPLIRSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001418101453 1006040697 /nfs/dbraw/zinc/04/06/97/1006040697.db2.gz FTILBJKFVXVUMZ-BETUJISGSA-N 1 3 320.441 0.761 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418104647 1006047074 /nfs/dbraw/zinc/04/70/74/1006047074.db2.gz SLZCWNHXPGFYPK-HZSPNIEDSA-N 1 3 315.458 0.208 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001418118175 1006065549 /nfs/dbraw/zinc/06/55/49/1006065549.db2.gz DUOZYWMSXMNOIP-ZIAGYGMSSA-N 1 3 303.422 0.487 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001418118175 1006065563 /nfs/dbraw/zinc/06/55/63/1006065563.db2.gz DUOZYWMSXMNOIP-ZIAGYGMSSA-N 1 3 303.422 0.487 20 0 DCADHO CCN1CC[C@H](NC[C@H]2CCCCN2C(=O)CC[NH+](C)C)C1=O ZINC001418164388 1006118847 /nfs/dbraw/zinc/11/88/47/1006118847.db2.gz SBJLZHQEYNJLTM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001418233345 1006216086 /nfs/dbraw/zinc/21/60/86/1006216086.db2.gz XWLKDFDGKLIKQW-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001418233345 1006216090 /nfs/dbraw/zinc/21/60/90/1006216090.db2.gz XWLKDFDGKLIKQW-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001436672934 1006250492 /nfs/dbraw/zinc/25/04/92/1006250492.db2.gz RYSIOYWIVBWORN-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001418300987 1006333027 /nfs/dbraw/zinc/33/30/27/1006333027.db2.gz KSUKRKFFHQYIRB-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001418300987 1006333042 /nfs/dbraw/zinc/33/30/42/1006333042.db2.gz KSUKRKFFHQYIRB-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO NC(=O)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001436797253 1006371257 /nfs/dbraw/zinc/37/12/57/1006371257.db2.gz VDZONAMWPKMEQQ-CABCVRRESA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001436797253 1006371269 /nfs/dbraw/zinc/37/12/69/1006371269.db2.gz VDZONAMWPKMEQQ-CABCVRRESA-N 1 3 322.453 0.363 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2ccsc2)C1 ZINC001439025630 1006376418 /nfs/dbraw/zinc/37/64/18/1006376418.db2.gz XAPQEPOGTGSIRD-TZMCWYRMSA-N 1 3 311.451 0.657 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001418334879 1006395618 /nfs/dbraw/zinc/39/56/18/1006395618.db2.gz SUYCXFMAASIWLG-AWEZNQCLSA-N 1 3 307.442 0.493 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439108676 1006477665 /nfs/dbraw/zinc/47/76/65/1006477665.db2.gz LIKFJYXFQRGTGF-UXIGCNINSA-N 1 3 307.442 0.663 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439108676 1006477675 /nfs/dbraw/zinc/47/76/75/1006477675.db2.gz LIKFJYXFQRGTGF-UXIGCNINSA-N 1 3 307.442 0.663 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001439116481 1006487088 /nfs/dbraw/zinc/48/70/88/1006487088.db2.gz XSWKBZLIFRMSTQ-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001439116481 1006487091 /nfs/dbraw/zinc/48/70/91/1006487091.db2.gz XSWKBZLIFRMSTQ-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N(C)C)N(C)C ZINC001437052452 1006555931 /nfs/dbraw/zinc/55/59/31/1006555931.db2.gz KQXQTDBPDOESPF-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439283845 1006656766 /nfs/dbraw/zinc/65/67/66/1006656766.db2.gz VBCNSIHRBOMZKL-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439283845 1006656772 /nfs/dbraw/zinc/65/67/72/1006656772.db2.gz VBCNSIHRBOMZKL-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C)C(N)=O ZINC001437186783 1006681869 /nfs/dbraw/zinc/68/18/69/1006681869.db2.gz ZVRCTDJZFVEBJR-QWHCGFSZSA-N 1 3 320.437 0.372 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001437377189 1006904124 /nfs/dbraw/zinc/90/41/24/1006904124.db2.gz BLRLUVXCMWTJTP-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)N1CCCC1)C1CC1)N(C)C ZINC001439479192 1006907908 /nfs/dbraw/zinc/90/79/08/1006907908.db2.gz KSVMDHQGAFMSRZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCN(CC(N)=O)C2)CC1 ZINC001439686004 1007134491 /nfs/dbraw/zinc/13/44/91/1007134491.db2.gz OICQMZCWSBVDLG-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCN(CC(N)=O)C2)CC1 ZINC001439686004 1007134496 /nfs/dbraw/zinc/13/44/96/1007134496.db2.gz OICQMZCWSBVDLG-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CN(CC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001437921698 1007499136 /nfs/dbraw/zinc/49/91/36/1007499136.db2.gz GVPWXLPFYWLSFA-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001437921698 1007499144 /nfs/dbraw/zinc/49/91/44/1007499144.db2.gz GVPWXLPFYWLSFA-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001440134461 1007512534 /nfs/dbraw/zinc/51/25/34/1007512534.db2.gz IVWZQBRDAOVDDO-HOCLYGCPSA-N 1 3 321.469 0.944 20 0 DCADHO Cn1cc(CN2CC[C@@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001437945699 1007522497 /nfs/dbraw/zinc/52/24/97/1007522497.db2.gz JIZAPRATNUCZHO-GDBMZVCRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CN2CC[C@@H](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001437945699 1007522506 /nfs/dbraw/zinc/52/25/06/1007522506.db2.gz JIZAPRATNUCZHO-GDBMZVCRSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001438312991 1007812738 /nfs/dbraw/zinc/81/27/38/1007812738.db2.gz PKJAFJUTWFRBIL-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001440804092 1008036858 /nfs/dbraw/zinc/03/68/58/1008036858.db2.gz XXAPIIITBGFEPI-QWHCGFSZSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001440853288 1008070544 /nfs/dbraw/zinc/07/05/44/1008070544.db2.gz GNHRPMNJCAYXEN-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN2CC[NH+](CC3CC3)CC2)C1 ZINC001441067712 1008205423 /nfs/dbraw/zinc/20/54/23/1008205423.db2.gz DKKMCECSAIQLOZ-HNNXBMFYSA-N 1 3 308.470 0.472 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441510117 1008382212 /nfs/dbraw/zinc/38/22/12/1008382212.db2.gz NYNJZIONDAOFNT-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001441598933 1008420259 /nfs/dbraw/zinc/42/02/59/1008420259.db2.gz NOQZAJNYIAUESK-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CN(CC(=O)NC[C@@H](CO)[NH2+]CC1CC(F)(F)C1)C1CCC1 ZINC001441704427 1008468672 /nfs/dbraw/zinc/46/86/72/1008468672.db2.gz BOVVZVVHSNFCAT-LBPRGKRZSA-N 1 3 319.396 0.583 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1n[nH]c(C)n1 ZINC001421422438 1008563637 /nfs/dbraw/zinc/56/36/37/1008563637.db2.gz OVQYJUHGYZNATR-KGLIPLIRSA-N 1 3 320.441 0.439 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001421428684 1008574226 /nfs/dbraw/zinc/57/42/26/1008574226.db2.gz SYOGYMLZTLAHLY-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001421428691 1008574800 /nfs/dbraw/zinc/57/48/00/1008574800.db2.gz SYOGYMLZTLAHLY-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccnn1C ZINC001421446052 1008601688 /nfs/dbraw/zinc/60/16/88/1008601688.db2.gz ALOZZKLCSCGMMH-CABCVRRESA-N 1 3 321.469 0.789 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001421468124 1008626950 /nfs/dbraw/zinc/62/69/50/1008626950.db2.gz HQQHNFULARSHNR-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001421468124 1008626961 /nfs/dbraw/zinc/62/69/61/1008626961.db2.gz HQQHNFULARSHNR-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCCC1)N(C)C ZINC001421514179 1008680218 /nfs/dbraw/zinc/68/02/18/1008680218.db2.gz UZXJIEFIIVMDRG-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001421583530 1008757543 /nfs/dbraw/zinc/75/75/43/1008757543.db2.gz OMLBEIHHMXKTCK-TZMCWYRMSA-N 1 3 321.425 0.434 20 0 DCADHO CN(C[C@H](O)CNCc1ccns1)C(=O)CC[NH+](C)C ZINC001441999442 1008781297 /nfs/dbraw/zinc/78/12/97/1008781297.db2.gz PORVEURSYVOUQY-LLVKDONJSA-N 1 3 300.428 0.004 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@H](C)C[NH+]2CCOCC2)o1 ZINC001442041760 1008859503 /nfs/dbraw/zinc/85/95/03/1008859503.db2.gz BUJULGFIZVBCGR-OLZOCXBDSA-N 1 3 324.425 0.546 20 0 DCADHO Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)CN2CCOCC2)o1 ZINC001442041760 1008859515 /nfs/dbraw/zinc/85/95/15/1008859515.db2.gz BUJULGFIZVBCGR-OLZOCXBDSA-N 1 3 324.425 0.546 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001421703242 1008961736 /nfs/dbraw/zinc/96/17/36/1008961736.db2.gz ZGQZHDXGDMMWID-CHWSQXEVSA-N 1 3 316.421 0.122 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001442105984 1008975040 /nfs/dbraw/zinc/97/50/40/1008975040.db2.gz BVPOCDSGHFDMJK-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001421925909 1009271041 /nfs/dbraw/zinc/27/10/41/1009271041.db2.gz CSAZJHKDKWSAMC-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1nnc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001422032284 1009418093 /nfs/dbraw/zinc/41/80/93/1009418093.db2.gz QAHYNKGRTZBEAK-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)CCn1cccn1 ZINC001422191769 1009627385 /nfs/dbraw/zinc/62/73/85/1009627385.db2.gz HJYWQALDZDTZEE-UHFFFAOYSA-N 1 3 307.442 0.615 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2cncn2C)C1 ZINC001422292453 1009795791 /nfs/dbraw/zinc/79/57/91/1009795791.db2.gz RHIVENNQYYJRHV-UHFFFAOYSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001443072011 1010109534 /nfs/dbraw/zinc/10/95/34/1010109534.db2.gz BRUOINPCJLWQIC-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001422548685 1010280186 /nfs/dbraw/zinc/28/01/86/1010280186.db2.gz GDHQDUHNDMAAOV-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001422575879 1010331380 /nfs/dbraw/zinc/33/13/80/1010331380.db2.gz VVODPOIYSSOXPY-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001422575879 1010331395 /nfs/dbraw/zinc/33/13/95/1010331395.db2.gz VVODPOIYSSOXPY-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](C(=O)NC1CC1)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443346714 1010354133 /nfs/dbraw/zinc/35/41/33/1010354133.db2.gz YMIUOQDRQDUHHL-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[C@H](C)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422589839 1010361886 /nfs/dbraw/zinc/36/18/86/1010361886.db2.gz JJKLAVZPQHWSDB-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001506477441 1017307373 /nfs/dbraw/zinc/30/73/73/1017307373.db2.gz BYAPWGYTOMJZDM-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001422892456 1010710369 /nfs/dbraw/zinc/71/03/69/1010710369.db2.gz GLTKDSWWLXARRE-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OCC(N)=O)cc3)[C@H]2C1 ZINC001422974649 1010779543 /nfs/dbraw/zinc/77/95/43/1010779543.db2.gz SQSBXAMIPKEBKY-CWRNSKLLSA-N 1 3 303.406 0.981 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCn1cncn1 ZINC001444012452 1010800983 /nfs/dbraw/zinc/80/09/83/1010800983.db2.gz CWTHVASCVOTGCN-LBPRGKRZSA-N 1 3 305.386 0.037 20 0 DCADHO CCCN(C)CC(=O)NCCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001444224859 1010912648 /nfs/dbraw/zinc/91/26/48/1010912648.db2.gz NALUUFPUSVJBPK-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001423156077 1010930363 /nfs/dbraw/zinc/93/03/63/1010930363.db2.gz WCSOOAZGWYNVLX-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001423156077 1010930365 /nfs/dbraw/zinc/93/03/65/1010930365.db2.gz WCSOOAZGWYNVLX-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001423173795 1010943436 /nfs/dbraw/zinc/94/34/36/1010943436.db2.gz RDOFHGWCXULVEO-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001444382996 1010990569 /nfs/dbraw/zinc/99/05/69/1010990569.db2.gz DNBCDEAZZWBHIV-ZFWWWQNUSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001444382996 1010990575 /nfs/dbraw/zinc/99/05/75/1010990575.db2.gz DNBCDEAZZWBHIV-ZFWWWQNUSA-N 1 3 319.453 0.969 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001423393692 1011121151 /nfs/dbraw/zinc/12/11/51/1011121151.db2.gz WCLDYEVBZAFJRG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)NCC ZINC001423448429 1011156563 /nfs/dbraw/zinc/15/65/63/1011156563.db2.gz CIUFOHRAOZIYDU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)NCC ZINC001423448429 1011156567 /nfs/dbraw/zinc/15/65/67/1011156567.db2.gz CIUFOHRAOZIYDU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423487724 1011182552 /nfs/dbraw/zinc/18/25/52/1011182552.db2.gz URZYBDWBGVVCKI-CABCVRRESA-N 1 3 320.437 0.251 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423487724 1011182555 /nfs/dbraw/zinc/18/25/55/1011182555.db2.gz URZYBDWBGVVCKI-CABCVRRESA-N 1 3 320.437 0.251 20 0 DCADHO CN(C)C1(C(=O)N(C)CCNC(=O)CCC[NH+](C)C)CCC1 ZINC001431469652 1011283994 /nfs/dbraw/zinc/28/39/94/1011283994.db2.gz DHGWBFOJXQAKEL-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445068983 1011375814 /nfs/dbraw/zinc/37/58/14/1011375814.db2.gz BCZMDZNEVZYOOZ-UHFFFAOYSA-N 1 3 319.453 0.449 20 0 DCADHO Cn1nncc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001423640726 1011381869 /nfs/dbraw/zinc/38/18/69/1011381869.db2.gz VPBATLHPHUWESF-GOEBONIOSA-N 1 3 320.441 0.238 20 0 DCADHO CCN(C)C(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001445109533 1011410327 /nfs/dbraw/zinc/41/03/27/1011410327.db2.gz CMDMLHGZRIQRSS-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001456758214 1011443070 /nfs/dbraw/zinc/44/30/70/1011443070.db2.gz KROCNGVRKWMJNB-CQSZACIVSA-N 1 3 305.426 0.516 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCc2ccns2)CC1 ZINC001445225830 1011545168 /nfs/dbraw/zinc/54/51/68/1011545168.db2.gz ONXNBPNROWVOFF-GFCCVEGCSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2cncc(F)c2)C1 ZINC001445273893 1011605889 /nfs/dbraw/zinc/60/58/89/1011605889.db2.gz JMCXTEYMZNVJBD-IUODEOHRSA-N 1 3 324.400 0.129 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2cncc(F)c2)C1 ZINC001445273893 1011605899 /nfs/dbraw/zinc/60/58/99/1011605899.db2.gz JMCXTEYMZNVJBD-IUODEOHRSA-N 1 3 324.400 0.129 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001457205791 1011610378 /nfs/dbraw/zinc/61/03/78/1011610378.db2.gz GDLJWRBYPOUXRD-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001457205791 1011610385 /nfs/dbraw/zinc/61/03/85/1011610385.db2.gz GDLJWRBYPOUXRD-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423923362 1011738338 /nfs/dbraw/zinc/73/83/38/1011738338.db2.gz JCUYHFUAXVVCMA-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH2+]CC(=O)NC1CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001423947134 1011761028 /nfs/dbraw/zinc/76/10/28/1011761028.db2.gz NAQXXHTXUJSWPA-RYUDHWBXSA-N 1 3 319.409 0.057 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001457796677 1011881119 /nfs/dbraw/zinc/88/11/19/1011881119.db2.gz MMVZPCNFOXPKFM-UHFFFAOYSA-N 1 3 300.447 0.195 20 0 DCADHO CCN1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553439620 1011974544 /nfs/dbraw/zinc/97/45/44/1011974544.db2.gz UTMNAFWQWWIPNN-ZIAGYGMSSA-N 1 3 310.442 0.539 20 0 DCADHO [NH3+]CC1([C@@H]2CCCCN2C(=O)NC[C@H]2CNCCO2)CCC1 ZINC001553502537 1012041929 /nfs/dbraw/zinc/04/19/29/1012041929.db2.gz KUBIWQMHXLCXMB-KGLIPLIRSA-N 1 3 310.442 0.668 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553507681 1012049482 /nfs/dbraw/zinc/04/94/82/1012049482.db2.gz QZLMFLKZGNWQJQ-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553508967 1012053446 /nfs/dbraw/zinc/05/34/46/1012053446.db2.gz VXGUCDFTZORDPJ-CBBWQLFWSA-N 1 3 310.442 0.225 20 0 DCADHO [NH3+]CCC1CC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553543537 1012094570 /nfs/dbraw/zinc/09/45/70/1012094570.db2.gz AKBVGSSDKILNRZ-NEXFUWMNSA-N 1 3 310.442 0.354 20 0 DCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553548568 1012097718 /nfs/dbraw/zinc/09/77/18/1012097718.db2.gz QOEHQNBWGMGRMM-HRCADAONSA-N 1 3 324.469 0.759 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001424212893 1012176833 /nfs/dbraw/zinc/17/68/33/1012176833.db2.gz SUGOOZNJCCDNEW-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@H](CC)C1 ZINC001446000948 1012506504 /nfs/dbraw/zinc/50/65/04/1012506504.db2.gz AXBNMMHAVTUCFL-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1cncn1C)C1CC1 ZINC001446021109 1012530404 /nfs/dbraw/zinc/53/04/04/1012530404.db2.gz VPJQXDFFTQXCQZ-OAHLLOKOSA-N 1 3 307.442 0.745 20 0 DCADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@@H]3COC4(CNC4)C3)cc21 ZINC001548568425 1012727004 /nfs/dbraw/zinc/72/70/04/1012727004.db2.gz GTTDZDQCXBMUJA-GJZGRUSLSA-N 1 3 315.417 0.926 20 0 DCADHO O=C([C@H]1CNCc2ccccc21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574524 1012748427 /nfs/dbraw/zinc/74/84/27/1012748427.db2.gz FIHBEVWRTQSQFD-HOCLYGCPSA-N 1 3 303.406 0.446 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001479298859 1017486627 /nfs/dbraw/zinc/48/66/27/1017486627.db2.gz GFGVSWPUGIEWRD-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC001506894296 1017648296 /nfs/dbraw/zinc/64/82/96/1017648296.db2.gz FBYNIDKMWWLGHT-HAQNSBGRSA-N 1 3 311.455 0.864 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001499230615 1017763879 /nfs/dbraw/zinc/76/38/79/1017763879.db2.gz AUBJTZIJVKSMMC-RWMBFGLXSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1)C(N)=O ZINC001499230615 1017763894 /nfs/dbraw/zinc/76/38/94/1017763894.db2.gz AUBJTZIJVKSMMC-RWMBFGLXSA-N 1 3 310.442 0.219 20 0 DCADHO CNC(=O)[C@H](C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001479875758 1017922390 /nfs/dbraw/zinc/92/23/90/1017922390.db2.gz GRDFSHOXMWIODS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001479875758 1017922401 /nfs/dbraw/zinc/92/24/01/1017922401.db2.gz GRDFSHOXMWIODS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497256112 1017998137 /nfs/dbraw/zinc/99/81/37/1017998137.db2.gz MKIMTCLUENGARK-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CCNCC(=O)NCC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383946 1018099210 /nfs/dbraw/zinc/09/92/10/1018099210.db2.gz PYIMFDQZTHXBNP-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNCC(=O)NCC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497383946 1018099226 /nfs/dbraw/zinc/09/92/26/1018099226.db2.gz PYIMFDQZTHXBNP-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001499957437 1018152572 /nfs/dbraw/zinc/15/25/72/1018152572.db2.gz CLCZHLHDDBQSDY-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001494980862 1018203769 /nfs/dbraw/zinc/20/37/69/1018203769.db2.gz IJOYQIJNRJMEGJ-HOTGVXAUSA-N 1 3 319.453 0.746 20 0 DCADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001494980999 1018204269 /nfs/dbraw/zinc/20/42/69/1018204269.db2.gz JPRMWRVTRZDXFJ-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001494980999 1018204275 /nfs/dbraw/zinc/20/42/75/1018204275.db2.gz JPRMWRVTRZDXFJ-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001497585172 1018253661 /nfs/dbraw/zinc/25/36/61/1018253661.db2.gz GFTJAFUZQNJRJR-KEHVYPQJSA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H](C)C(=O)NC)CC[N@H+]1C ZINC001497585172 1018253672 /nfs/dbraw/zinc/25/36/72/1018253672.db2.gz GFTJAFUZQNJRJR-KEHVYPQJSA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cn(C)nc1C ZINC001495106953 1018316063 /nfs/dbraw/zinc/31/60/63/1018316063.db2.gz JDYABNFUDQSJLZ-UKRRQHHQSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cn(C)nc1C ZINC001495106953 1018316070 /nfs/dbraw/zinc/31/60/70/1018316070.db2.gz JDYABNFUDQSJLZ-UKRRQHHQSA-N 1 3 307.442 0.665 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(CCn3cncn3)C2)C1 ZINC001500279068 1018373581 /nfs/dbraw/zinc/37/35/81/1018373581.db2.gz AZBGEZADKCDVCM-GOEBONIOSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(CCn3cncn3)C2)C1 ZINC001500279068 1018373592 /nfs/dbraw/zinc/37/35/92/1018373592.db2.gz AZBGEZADKCDVCM-GOEBONIOSA-N 1 3 320.441 0.201 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC001480359717 1018462642 /nfs/dbraw/zinc/46/26/42/1018462642.db2.gz PPXHTTSRPLHBGM-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498043893 1018608759 /nfs/dbraw/zinc/60/87/59/1018608759.db2.gz PCPFNJUKTDSSDU-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001480537878 1018637988 /nfs/dbraw/zinc/63/79/88/1018637988.db2.gz QYUUZOXPECUNLO-OLZOCXBDSA-N 1 3 322.457 0.331 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001495731459 1018672761 /nfs/dbraw/zinc/67/27/61/1018672761.db2.gz XVGSLLNEVRTTCL-NSHDSACASA-N 1 3 311.455 0.722 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)NC(C)(C)C ZINC001480575007 1018674600 /nfs/dbraw/zinc/67/46/00/1018674600.db2.gz PJQXLSYDWRYHEG-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccn(C)n1 ZINC001495743190 1018678654 /nfs/dbraw/zinc/67/86/54/1018678654.db2.gz NDSAQBRTMUHJAP-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)n1 ZINC001480595478 1018693577 /nfs/dbraw/zinc/69/35/77/1018693577.db2.gz BDCSAXNNIRIHAG-LBPRGKRZSA-N 1 3 310.446 0.329 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001498205604 1018752182 /nfs/dbraw/zinc/75/21/82/1018752182.db2.gz COLTVHJXRHAFGB-TZMCWYRMSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001498205604 1018752198 /nfs/dbraw/zinc/75/21/98/1018752198.db2.gz COLTVHJXRHAFGB-TZMCWYRMSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001501073761 1018861156 /nfs/dbraw/zinc/86/11/56/1018861156.db2.gz BERSJQQZPUXCCX-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001501073761 1018861174 /nfs/dbraw/zinc/86/11/74/1018861174.db2.gz BERSJQQZPUXCCX-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]2C1 ZINC001501238732 1018977848 /nfs/dbraw/zinc/97/78/48/1018977848.db2.gz ZWEDKSYXYUEMAI-SOUVJXGZSA-N 1 3 324.469 0.195 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)N(C)C)C[C@H]2C1 ZINC001501238732 1018977860 /nfs/dbraw/zinc/97/78/60/1018977860.db2.gz ZWEDKSYXYUEMAI-SOUVJXGZSA-N 1 3 324.469 0.195 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001496229958 1019178784 /nfs/dbraw/zinc/17/87/84/1019178784.db2.gz NYTGSSIBUHTMMX-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCNC/C=C\Cl)CC[N@@H+]1C ZINC001501487438 1019233450 /nfs/dbraw/zinc/23/34/50/1019233450.db2.gz DZVTUWNDTUCNPL-DWMAKUKJSA-N 1 3 317.861 0.880 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCNC/C=C\Cl)CC[N@H+]1C ZINC001501487438 1019233460 /nfs/dbraw/zinc/23/34/60/1019233460.db2.gz DZVTUWNDTUCNPL-DWMAKUKJSA-N 1 3 317.861 0.880 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001498612819 1019267338 /nfs/dbraw/zinc/26/73/38/1019267338.db2.gz MJVHVNDFXBTKFA-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+]Cc1ccnn1C)C1CC1)C1CCC1 ZINC001498771654 1019414172 /nfs/dbraw/zinc/41/41/72/1019414172.db2.gz XFUSZAYIVDIIHB-MRXNPFEDSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001498771165 1019415265 /nfs/dbraw/zinc/41/52/65/1019415265.db2.gz UGVRGHMIZFHMPG-OLZOCXBDSA-N 1 3 310.442 0.219 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001498805433 1019442004 /nfs/dbraw/zinc/44/20/04/1019442004.db2.gz ZIWARGIFXRBXPS-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1)C1CC1 ZINC001498863626 1019483430 /nfs/dbraw/zinc/48/34/30/1019483430.db2.gz MGGUKNBVZUWPDG-HIFRSBDPSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1)C1CC1 ZINC001498863626 1019483441 /nfs/dbraw/zinc/48/34/41/1019483441.db2.gz MGGUKNBVZUWPDG-HIFRSBDPSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC/C=C/CNC(=O)CN1CCCC1 ZINC001501864869 1019528311 /nfs/dbraw/zinc/52/83/11/1019528311.db2.gz NPAGYJRNJILWAL-FAAWYNLUSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC/C=C/CNC(=O)CN1CCCC1 ZINC001501864869 1019528321 /nfs/dbraw/zinc/52/83/21/1019528321.db2.gz NPAGYJRNJILWAL-FAAWYNLUSA-N 1 3 322.453 0.355 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001493681782 1019626375 /nfs/dbraw/zinc/62/63/75/1019626375.db2.gz CNMWZRGCZVWYKC-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CC(N)=O ZINC001493870961 1019783885 /nfs/dbraw/zinc/78/38/85/1019783885.db2.gz HFNMAOWABCXWSG-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CC(N)=O ZINC001493870961 1019783900 /nfs/dbraw/zinc/78/39/00/1019783900.db2.gz HFNMAOWABCXWSG-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)C1CCC1 ZINC001496994093 1019893773 /nfs/dbraw/zinc/89/37/73/1019893773.db2.gz FFAPXGITEUIBIA-HNNXBMFYSA-N 1 3 306.410 0.133 20 0 DCADHO CC(C)[NH+]1CCN(CCN(C)C(=O)CN(C)C2CCC2)CC1 ZINC001494093237 1019980806 /nfs/dbraw/zinc/98/08/06/1019980806.db2.gz YXZOOOQIBAFXHW-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C1CC(O)C1 ZINC000665760844 546395627 /nfs/dbraw/zinc/39/56/27/546395627.db2.gz QCRUDSATMFDVJT-HSBZDZAISA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C1CC(O)C1 ZINC000665760844 546395635 /nfs/dbraw/zinc/39/56/35/546395635.db2.gz QCRUDSATMFDVJT-HSBZDZAISA-N 1 3 300.447 0.423 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332578777 282191240 /nfs/dbraw/zinc/19/12/40/282191240.db2.gz ZOPOPPRFHATBFJ-ZNMIVQPWSA-N 1 3 322.453 0.282 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073642696 545666309 /nfs/dbraw/zinc/66/63/09/545666309.db2.gz JHZHJFOKEKTZNL-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418706339 295853309 /nfs/dbraw/zinc/85/33/09/295853309.db2.gz OQGFJPJYOBPIMI-UONOGXRCSA-N 1 3 300.447 0.866 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332578774 235136208 /nfs/dbraw/zinc/13/62/08/235136208.db2.gz ZOPOPPRFHATBFJ-RRFJBIMHSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419414471 295902013 /nfs/dbraw/zinc/90/20/13/295902013.db2.gz DXBHDXDBUAQYKJ-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000121756559 295905292 /nfs/dbraw/zinc/90/52/92/295905292.db2.gz UZAOOEUXHZTEQT-DZGCQCFKSA-N 1 3 300.447 0.473 20 0 DCADHO CCc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C ZINC001645997480 1172210116 /nfs/dbraw/zinc/21/01/16/1172210116.db2.gz ZSJUCJQXTHDGDD-ZDUSSCGKSA-N 1 3 309.458 0.984 20 0 DCADHO CCc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C ZINC001645997480 1172210126 /nfs/dbraw/zinc/21/01/26/1172210126.db2.gz ZSJUCJQXTHDGDD-ZDUSSCGKSA-N 1 3 309.458 0.984 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261963315 295939107 /nfs/dbraw/zinc/93/91/07/295939107.db2.gz SHLTYQHQASHVOY-AWEZNQCLSA-N 1 3 315.421 0.819 20 0 DCADHO CCC[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000423629967 283473728 /nfs/dbraw/zinc/47/37/28/283473728.db2.gz KWLHTNKWHUYHDF-RYUDHWBXSA-N 1 3 324.391 0.669 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000566120803 291272071 /nfs/dbraw/zinc/27/20/71/291272071.db2.gz PTIDSOWENUXINN-INIZCTEOSA-N 1 3 301.475 0.636 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)C2)CC1 ZINC000566190487 291279336 /nfs/dbraw/zinc/27/93/36/291279336.db2.gz BCSWMJJSCWOHTJ-BZUAXINKSA-N 1 3 308.470 0.469 20 0 DCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000566209620 291282868 /nfs/dbraw/zinc/28/28/68/291282868.db2.gz YSGYJNSNIQFPBY-GJZGRUSLSA-N 1 3 309.454 0.977 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566288671 291291079 /nfs/dbraw/zinc/29/10/79/291291079.db2.gz LFHXTBGFSWURFZ-KBPBESRZSA-N 1 3 320.441 0.444 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414913919 239500538 /nfs/dbraw/zinc/50/05/38/239500538.db2.gz NFOXYUKWDJZKBL-OAHLLOKOSA-N 1 3 316.405 0.781 20 0 DCADHO N[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424081563 240253043 /nfs/dbraw/zinc/25/30/43/240253043.db2.gz VJWKZCIPXDBZEX-ZIAGYGMSSA-N 1 3 314.393 0.632 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000567222487 291342914 /nfs/dbraw/zinc/34/29/14/291342914.db2.gz XVTWWMAXOBYYGI-CABCVRRESA-N 1 3 311.474 0.311 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000567348771 291350200 /nfs/dbraw/zinc/35/02/00/291350200.db2.gz NHSHJANBPTYHMW-OLZOCXBDSA-N 1 3 306.414 0.196 20 0 DCADHO CCCN1CCC([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000092165808 193169379 /nfs/dbraw/zinc/16/93/79/193169379.db2.gz RZTJLHDUJFTBMV-UHFFFAOYSA-N 1 3 308.426 0.390 20 0 DCADHO CCCN1CCC([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000092165808 193169380 /nfs/dbraw/zinc/16/93/80/193169380.db2.gz RZTJLHDUJFTBMV-UHFFFAOYSA-N 1 3 308.426 0.390 20 0 DCADHO CNCc1ccccc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569810728 291496710 /nfs/dbraw/zinc/49/67/10/291496710.db2.gz ANQPBICETKJLCP-CQSZACIVSA-N 1 3 304.394 0.603 20 0 DCADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000572720462 291584752 /nfs/dbraw/zinc/58/47/52/291584752.db2.gz QUTWYLVMWJPHMS-KBPBESRZSA-N 1 3 322.457 0.925 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C3(C[NH3+])CCCC3)C2)nn1 ZINC000573562680 291639982 /nfs/dbraw/zinc/63/99/82/291639982.db2.gz BSPGARDAHOHHBA-CYBMUJFWSA-N 1 3 306.414 0.419 20 0 DCADHO COCCNCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000237176543 285075432 /nfs/dbraw/zinc/07/54/32/285075432.db2.gz KMJHVVPMLHVBFB-UHFFFAOYSA-N 1 3 315.483 0.700 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000339583651 253108649 /nfs/dbraw/zinc/10/86/49/253108649.db2.gz XCSKPYOTMMPOMX-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000339753041 253138389 /nfs/dbraw/zinc/13/83/89/253138389.db2.gz JSOSXMRZMWKESD-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000340205152 253217451 /nfs/dbraw/zinc/21/74/51/253217451.db2.gz PHKLQRBSMKRQCS-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000340205152 253217454 /nfs/dbraw/zinc/21/74/54/253217454.db2.gz PHKLQRBSMKRQCS-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340508025 253269241 /nfs/dbraw/zinc/26/92/41/253269241.db2.gz HYKICHKDDMSTMX-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340508025 253269243 /nfs/dbraw/zinc/26/92/43/253269243.db2.gz HYKICHKDDMSTMX-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000340822510 253310481 /nfs/dbraw/zinc/31/04/81/253310481.db2.gz LQZZOJRKDOAYNL-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000340822510 253310484 /nfs/dbraw/zinc/31/04/84/253310484.db2.gz LQZZOJRKDOAYNL-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC000340691295 253292321 /nfs/dbraw/zinc/29/23/21/253292321.db2.gz VROORFHTIDBUQK-CQSZACIVSA-N 1 3 311.426 0.568 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000341012262 253335693 /nfs/dbraw/zinc/33/56/93/253335693.db2.gz FCZNYBOEYDXOKL-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000341012262 253335696 /nfs/dbraw/zinc/33/56/96/253335696.db2.gz FCZNYBOEYDXOKL-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000347049622 254125297 /nfs/dbraw/zinc/12/52/97/254125297.db2.gz NDIUVPIEQQELLW-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000347049622 254125298 /nfs/dbraw/zinc/12/52/98/254125298.db2.gz NDIUVPIEQQELLW-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO CCN1CCN(CCNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347660899 254176344 /nfs/dbraw/zinc/17/63/44/254176344.db2.gz UGEBQPVVGPTSLS-UHFFFAOYSA-N 1 3 302.422 0.657 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000349909749 254303698 /nfs/dbraw/zinc/30/36/98/254303698.db2.gz ZFVNZVLBZNTLTM-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000349909749 254303700 /nfs/dbraw/zinc/30/37/00/254303700.db2.gz ZFVNZVLBZNTLTM-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC000350252820 254314800 /nfs/dbraw/zinc/31/48/00/254314800.db2.gz NHNLTGMBEFSDIM-HOTGVXAUSA-N 1 3 310.442 0.677 20 0 DCADHO CN(CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000351558768 254346839 /nfs/dbraw/zinc/34/68/39/254346839.db2.gz SQANFGNGUXSGAG-OAHLLOKOSA-N 1 3 318.421 0.103 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CCCN1C ZINC000351713342 254360959 /nfs/dbraw/zinc/36/09/59/254360959.db2.gz TYUOKDGSRWXAIL-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)C[NH2+]C)CC1=O ZINC000154566497 285255267 /nfs/dbraw/zinc/25/52/67/285255267.db2.gz HQJSMBLLXKISRP-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000337574234 285279524 /nfs/dbraw/zinc/27/95/24/285279524.db2.gz GODGAKFCTXTYFJ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000337574234 285279525 /nfs/dbraw/zinc/27/95/25/285279525.db2.gz GODGAKFCTXTYFJ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO COCCN1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194830390 395809152 /nfs/dbraw/zinc/80/91/52/395809152.db2.gz RNEFCEZGKAWUSG-UHFFFAOYSA-N 1 3 312.439 0.485 20 0 DCADHO CC(C)C[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000236681830 395895736 /nfs/dbraw/zinc/89/57/36/395895736.db2.gz SIOAGKKHNAIASP-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000127605090 395915969 /nfs/dbraw/zinc/91/59/69/395915969.db2.gz RZGPHPZDIZIECM-OAHLLOKOSA-N 1 3 302.422 0.677 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000121933441 395885623 /nfs/dbraw/zinc/88/56/23/395885623.db2.gz QLISZARMDKQWTR-KKUMJFAQSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246462184 395950591 /nfs/dbraw/zinc/95/05/91/395950591.db2.gz DPLQCAUNIWVKTR-DZGCQCFKSA-N 1 3 300.447 0.330 20 0 DCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261845362 396071661 /nfs/dbraw/zinc/07/16/61/396071661.db2.gz QXEDAMBPIJTZEM-XHSDSOJGSA-N 1 3 305.422 0.782 20 0 DCADHO COCC1(CNC(=O)[C@H](CN)c2ccccc2)CC[NH2+]CC1 ZINC000261793040 396066304 /nfs/dbraw/zinc/06/63/04/396066304.db2.gz UPYUIFYLTMOYNJ-OAHLLOKOSA-N 1 3 305.422 0.861 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000261988294 396087311 /nfs/dbraw/zinc/08/73/11/396087311.db2.gz SPJADPHCIGYWBP-OWCLPIDISA-N 1 3 303.406 0.663 20 0 DCADHO CCC[NH+]1CCC(N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000262101537 396098695 /nfs/dbraw/zinc/09/86/95/396098695.db2.gz IVDURYUADXLHEC-HNNXBMFYSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1CN(CCC2CCN(C(=O)C3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000262227929 396113138 /nfs/dbraw/zinc/11/31/38/396113138.db2.gz LRUOOMINIVJJTD-OKILXGFUSA-N 1 3 309.454 0.944 20 0 DCADHO C[NH2+]CCC(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262347672 396128584 /nfs/dbraw/zinc/12/85/84/396128584.db2.gz IPVRQIZFZJYGGE-CQSZACIVSA-N 1 3 318.421 0.932 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCn2cccn2)C1)[C@H]1CCC[NH2+]1 ZINC000262386930 396133941 /nfs/dbraw/zinc/13/39/41/396133941.db2.gz ZIHYXCKASJSFEM-LSDHHAIUSA-N 1 3 305.426 0.463 20 0 DCADHO CC[NH+](CC)CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000072794671 396135707 /nfs/dbraw/zinc/13/57/07/396135707.db2.gz QISZWOWGWNPNRF-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH+](C)C)CCCC2)CC1=O ZINC000072969524 396139499 /nfs/dbraw/zinc/13/94/99/396139499.db2.gz YFMXKTIUAUDBLF-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CC1CCN(CCN(C)C)CC1 ZINC000182834651 396254913 /nfs/dbraw/zinc/25/49/13/396254913.db2.gz PQHZKEXDLMKAEN-CQSZACIVSA-N 1 3 319.515 0.673 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185681288 396332544 /nfs/dbraw/zinc/33/25/44/396332544.db2.gz YGNNDCQEIQMIQP-HNNXBMFYSA-N 1 3 313.490 0.652 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185681288 396332547 /nfs/dbraw/zinc/33/25/47/396332547.db2.gz YGNNDCQEIQMIQP-HNNXBMFYSA-N 1 3 313.490 0.652 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000265690583 396337519 /nfs/dbraw/zinc/33/75/19/396337519.db2.gz NFVYGYWWLZHREH-BQYQJAHWSA-N 1 3 310.442 0.117 20 0 DCADHO CC[NH+](CC)CCCN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000191809259 396425271 /nfs/dbraw/zinc/42/52/71/396425271.db2.gz JVWJWMAILWAUOM-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000580191252 396493028 /nfs/dbraw/zinc/49/30/28/396493028.db2.gz VDZTXGWDVMKCDV-YUMQZZPRSA-N 1 3 312.395 0.178 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000594872360 396532537 /nfs/dbraw/zinc/53/25/37/396532537.db2.gz ACUHOSJFCHQZAD-INIZCTEOSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000594872360 396532541 /nfs/dbraw/zinc/53/25/41/396532541.db2.gz ACUHOSJFCHQZAD-INIZCTEOSA-N 1 3 308.470 0.615 20 0 DCADHO CS(=O)(=O)N1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000581552682 396564296 /nfs/dbraw/zinc/56/42/96/396564296.db2.gz JSSFGUDYRZDNKG-AWEZNQCLSA-N 1 3 301.456 0.484 20 0 DCADHO C[C@H](CC[NH+](C)C)NC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000581662530 396573380 /nfs/dbraw/zinc/57/33/80/396573380.db2.gz NIQIWSOEZAZQOJ-OLZOCXBDSA-N 1 3 319.405 0.573 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000561999451 396650393 /nfs/dbraw/zinc/65/03/93/396650393.db2.gz NXHPZQHCFMLMBB-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC[N@H+]1C ZINC000561999451 396650398 /nfs/dbraw/zinc/65/03/98/396650398.db2.gz NXHPZQHCFMLMBB-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO CCOC(=O)CC1([NH2+]C[C@@H](O)CN(C)C(C)C)CCOCC1 ZINC000595878684 396674925 /nfs/dbraw/zinc/67/49/25/396674925.db2.gz ZQEWPQQLVGIFDG-CQSZACIVSA-N 1 3 316.442 0.780 20 0 DCADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900224 396679624 /nfs/dbraw/zinc/67/96/24/396679624.db2.gz BPTQMPABGBWJFH-GXTWGEPZSA-N 1 3 310.442 0.932 20 0 DCADHO CN(C)CCN(C(=O)NC[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000562821047 396683036 /nfs/dbraw/zinc/68/30/36/396683036.db2.gz PBOKIBHLKIFMLM-OAHLLOKOSA-N 1 3 311.474 0.406 20 0 DCADHO COCCN(C)CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000588982430 396702117 /nfs/dbraw/zinc/70/21/17/396702117.db2.gz AHJOANFRGHGUEB-UHFFFAOYSA-N 1 3 321.425 0.491 20 0 DCADHO O[C@@H]1CCN(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000629546941 396782870 /nfs/dbraw/zinc/78/28/70/396782870.db2.gz RETMQVMDRCWVOF-QGPMSJSTSA-N 1 3 317.433 0.899 20 0 DCADHO CC[N@H+](CCN)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000629556345 396784327 /nfs/dbraw/zinc/78/43/27/396784327.db2.gz HFJHZQQGVADWHF-UHFFFAOYSA-N 1 3 305.426 0.401 20 0 DCADHO CC[N@@H+](CCN)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000629556345 396784336 /nfs/dbraw/zinc/78/43/36/396784336.db2.gz HFJHZQQGVADWHF-UHFFFAOYSA-N 1 3 305.426 0.401 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000629812190 396847096 /nfs/dbraw/zinc/84/70/96/396847096.db2.gz OEVGJUGNRNIUSZ-UHFFFAOYSA-N 1 3 324.425 0.367 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000564645097 396850454 /nfs/dbraw/zinc/85/04/54/396850454.db2.gz ZHHJGOFFPVCDLP-OAHLLOKOSA-N 1 3 311.474 0.393 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000564654953 396852577 /nfs/dbraw/zinc/85/25/77/396852577.db2.gz DTASUIVLMXNCDU-HNNXBMFYSA-N 1 3 320.441 0.632 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000564654954 396853065 /nfs/dbraw/zinc/85/30/65/396853065.db2.gz DTASUIVLMXNCDU-OAHLLOKOSA-N 1 3 320.441 0.632 20 0 DCADHO O[C@H](CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O)C[NH+]1CCCC1 ZINC000629597982 396804038 /nfs/dbraw/zinc/80/40/38/396804038.db2.gz VDQCIWRUDDOSPC-ARFHVFGLSA-N 1 3 312.454 0.600 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCN1CC[C@H](O)C1 ZINC000629616993 396811505 /nfs/dbraw/zinc/81/15/05/396811505.db2.gz DHUAXMULEJFOFC-DLBZAZTESA-N 1 3 307.438 0.136 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCN1CC[C@H](O)C1 ZINC000629616993 396811513 /nfs/dbraw/zinc/81/15/13/396811513.db2.gz DHUAXMULEJFOFC-DLBZAZTESA-N 1 3 307.438 0.136 20 0 DCADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCCNCC1 ZINC000331519861 396872572 /nfs/dbraw/zinc/87/25/72/396872572.db2.gz NMTUOCMMGSECKP-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000564843997 396878769 /nfs/dbraw/zinc/87/87/69/396878769.db2.gz HATXIDMXCISFKF-OWCLPIDISA-N 1 3 313.486 0.921 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CNCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000564843998 396879911 /nfs/dbraw/zinc/87/99/11/396879911.db2.gz HATXIDMXCISFKF-XHSDSOJGSA-N 1 3 313.486 0.921 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000376181268 396890965 /nfs/dbraw/zinc/89/09/65/396890965.db2.gz LDZGIZSGUWQHHK-MRXNPFEDSA-N 1 3 311.470 0.630 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000376181268 396890967 /nfs/dbraw/zinc/89/09/67/396890967.db2.gz LDZGIZSGUWQHHK-MRXNPFEDSA-N 1 3 311.470 0.630 20 0 DCADHO CN1CCC[C@@H]1CC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000376181268 396890970 /nfs/dbraw/zinc/89/09/70/396890970.db2.gz LDZGIZSGUWQHHK-MRXNPFEDSA-N 1 3 311.470 0.630 20 0 DCADHO C[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N(C)C1CC1 ZINC000333436094 396924916 /nfs/dbraw/zinc/92/49/16/396924916.db2.gz VIMQJDBFLHAAOY-HIFRSBDPSA-N 1 3 309.458 0.158 20 0 DCADHO CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000571443354 396953017 /nfs/dbraw/zinc/95/30/17/396953017.db2.gz AIWNVZUHTVMZAU-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339300839 396956586 /nfs/dbraw/zinc/95/65/86/396956586.db2.gz KGTLZALHCSPEJD-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339300839 396956591 /nfs/dbraw/zinc/95/65/91/396956591.db2.gz KGTLZALHCSPEJD-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000339572047 396960159 /nfs/dbraw/zinc/96/01/59/396960159.db2.gz AJCJFIKSWFTODP-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNCCC(=O)NC(N)=O ZINC000591728220 396992511 /nfs/dbraw/zinc/99/25/11/396992511.db2.gz VQCQYLXZIMDICV-UHFFFAOYSA-N 1 3 308.382 0.302 20 0 DCADHO NC(=O)NC(=O)CC[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000591758189 396999184 /nfs/dbraw/zinc/99/91/84/396999184.db2.gz AEJHVFXVFIGSPD-UHFFFAOYSA-N 1 3 305.382 0.473 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000571921535 397000863 /nfs/dbraw/zinc/00/08/63/397000863.db2.gz XLTWASHQSDEAIG-RQJABVFESA-N 1 3 310.442 0.314 20 0 DCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343902573 397001452 /nfs/dbraw/zinc/00/14/52/397001452.db2.gz CAUWWRVCEGBHIS-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CO[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)[C@](C)(C[NH3+])C1 ZINC000630376540 397002402 /nfs/dbraw/zinc/00/24/02/397002402.db2.gz DNVUUHMLAYFXNL-ABAIWWIYSA-N 1 3 309.435 0.972 20 0 DCADHO CO[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)[C@](C)(C[NH3+])C1 ZINC000630376554 397002419 /nfs/dbraw/zinc/00/24/19/397002419.db2.gz DNVUUHMLAYFXNL-NHYWBVRUSA-N 1 3 309.435 0.972 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000571985869 397009231 /nfs/dbraw/zinc/00/92/31/397009231.db2.gz IBVVFWGURUPDTG-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)CC[N@@H+]1C ZINC000348000205 397035215 /nfs/dbraw/zinc/03/52/15/397035215.db2.gz GNMITHDJLYECGI-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)CC[N@H+]1C ZINC000348000205 397035222 /nfs/dbraw/zinc/03/52/22/397035222.db2.gz GNMITHDJLYECGI-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO C[NH+](C)CCOCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625941838 397035651 /nfs/dbraw/zinc/03/56/51/397035651.db2.gz IPVYQHYAIHQBDI-UHFFFAOYSA-N 1 3 322.409 0.868 20 0 DCADHO CCC[C@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+](C)C ZINC000571640679 396971938 /nfs/dbraw/zinc/97/19/38/396971938.db2.gz NGIFWKSKKVCHCU-UONOGXRCSA-N 1 3 308.430 0.631 20 0 DCADHO CCC[C@@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+](C)C ZINC000571640678 396972295 /nfs/dbraw/zinc/97/22/95/396972295.db2.gz NGIFWKSKKVCHCU-KGLIPLIRSA-N 1 3 308.430 0.631 20 0 DCADHO CCNCc1ccn(Cc2cn(CC[NH+]3CCCC3)nn2)n1 ZINC000630618305 397064209 /nfs/dbraw/zinc/06/42/09/397064209.db2.gz UQMQFXVGQNOPBD-UHFFFAOYSA-N 1 3 303.414 0.728 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000630714846 397087358 /nfs/dbraw/zinc/08/73/58/397087358.db2.gz BBDHRYNONHLTPZ-XJFOESAGSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000630714846 397087362 /nfs/dbraw/zinc/08/73/62/397087362.db2.gz BBDHRYNONHLTPZ-XJFOESAGSA-N 1 3 312.458 0.145 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CCC)C2)C1 ZINC000612550265 397093947 /nfs/dbraw/zinc/09/39/47/397093947.db2.gz DIGPCORPUFHDOB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000612550265 397093952 /nfs/dbraw/zinc/09/39/52/397093952.db2.gz DIGPCORPUFHDOB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000612974079 397167766 /nfs/dbraw/zinc/16/77/66/397167766.db2.gz OMEOPTMOAHNJJN-CABCVRRESA-N 1 3 323.485 0.311 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000574070462 397233743 /nfs/dbraw/zinc/23/37/43/397233743.db2.gz CRLISBXUMCOFDU-SOUVJXGZSA-N 1 3 322.453 0.411 20 0 DCADHO CN1CCC(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000365340202 397269015 /nfs/dbraw/zinc/26/90/15/397269015.db2.gz NSJPXKOLFSWCAW-MRXNPFEDSA-N 1 3 323.485 0.502 20 0 DCADHO CN1CCC(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000365340202 397269019 /nfs/dbraw/zinc/26/90/19/397269019.db2.gz NSJPXKOLFSWCAW-MRXNPFEDSA-N 1 3 323.485 0.502 20 0 DCADHO CCC[NH+]1CCC(CNC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000574503605 397272617 /nfs/dbraw/zinc/27/26/17/397272617.db2.gz PQFOCADKPCQLLH-UHFFFAOYSA-N 1 3 310.442 0.492 20 0 DCADHO CC[NH+]1CCC(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000574979805 397310329 /nfs/dbraw/zinc/31/03/29/397310329.db2.gz AATWOBMUQUSVRP-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH+]1CCC(O)(CNCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000397501083 397313276 /nfs/dbraw/zinc/31/32/76/397313276.db2.gz YHQWPCPWHGGMOC-UHFFFAOYSA-N 1 3 312.435 0.636 20 0 DCADHO C[C@H](CNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCC1 ZINC000577859180 397366707 /nfs/dbraw/zinc/36/67/07/397366707.db2.gz PACYIPMFLGYNQL-VQHPVUNQSA-N 1 3 313.486 0.778 20 0 DCADHO C[C@H](C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)CN1CCCC1 ZINC000577859180 397366711 /nfs/dbraw/zinc/36/67/11/397366711.db2.gz PACYIPMFLGYNQL-VQHPVUNQSA-N 1 3 313.486 0.778 20 0 DCADHO CC[C@H](C)NC(=O)CN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414671242 397367432 /nfs/dbraw/zinc/36/74/32/397367432.db2.gz FQRLUDWHXKLCDK-XHSDSOJGSA-N 1 3 310.486 0.907 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000419528074 397380519 /nfs/dbraw/zinc/38/05/19/397380519.db2.gz VZKKUXMZIMXCKT-HZSPNIEDSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000419528074 397380523 /nfs/dbraw/zinc/38/05/23/397380523.db2.gz VZKKUXMZIMXCKT-HZSPNIEDSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000577281213 397319185 /nfs/dbraw/zinc/31/91/85/397319185.db2.gz ULTRHJMYTOTONK-GUTXKFCHSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000577281213 397319190 /nfs/dbraw/zinc/31/91/90/397319190.db2.gz ULTRHJMYTOTONK-GUTXKFCHSA-N 1 3 310.442 0.029 20 0 DCADHO CCN(C)C[C@@H](O)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000578518791 397446817 /nfs/dbraw/zinc/44/68/17/397446817.db2.gz FGKYAHQOWVDANC-QGZVFWFLSA-N 1 3 313.486 0.733 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CCC(CCN2CCOCC2)CC1 ZINC000578518791 397446823 /nfs/dbraw/zinc/44/68/23/397446823.db2.gz FGKYAHQOWVDANC-QGZVFWFLSA-N 1 3 313.486 0.733 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(CCN2CCOCC2)CC1 ZINC000578518791 397446827 /nfs/dbraw/zinc/44/68/27/397446827.db2.gz FGKYAHQOWVDANC-QGZVFWFLSA-N 1 3 313.486 0.733 20 0 DCADHO CC(C)N1CCCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471634334 397448299 /nfs/dbraw/zinc/44/82/99/397448299.db2.gz JLCWKVFAOSADCY-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)NCCOCCN(C)C)CC1 ZINC000471640178 397448393 /nfs/dbraw/zinc/44/83/93/397448393.db2.gz VXDDKVJRLGNEKC-UHFFFAOYSA-N 1 3 314.474 0.984 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCOCC[NH+](C)C ZINC000471643428 397449458 /nfs/dbraw/zinc/44/94/58/397449458.db2.gz IJUVLXBBBOPXHB-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO COC(=O)CCCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000599332661 397409372 /nfs/dbraw/zinc/40/93/72/397409372.db2.gz VMPVJPJECKIZFQ-UHFFFAOYSA-N 1 3 313.442 0.720 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC1(C[NH3+])CC1 ZINC000579001547 397512908 /nfs/dbraw/zinc/51/29/08/397512908.db2.gz UXLVHZGQSNDFDR-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000579333473 397552652 /nfs/dbraw/zinc/55/26/52/397552652.db2.gz JOEZWEJBJBKVLN-MRXNPFEDSA-N 1 3 323.485 0.550 20 0 DCADHO CN1CCC(N2CCC([NH2+]C[C@H](O)Cn3cccn3)CC2)CC1 ZINC000579463244 397570188 /nfs/dbraw/zinc/57/01/88/397570188.db2.gz KQJWNWDEVPXTDR-KRWDZBQOSA-N 1 3 321.469 0.392 20 0 DCADHO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000371344406 397575154 /nfs/dbraw/zinc/57/51/54/397575154.db2.gz MCUCYQYYWBGFCK-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CN(C)C ZINC000496126000 397575774 /nfs/dbraw/zinc/57/57/74/397575774.db2.gz SDMNODUZVJHRHB-LLVKDONJSA-N 1 3 301.435 0.823 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000579580686 397581079 /nfs/dbraw/zinc/58/10/79/397581079.db2.gz UQKQGXLJCRQSPT-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO O=C1CCCCN1CC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000579239600 397541919 /nfs/dbraw/zinc/54/19/19/397541919.db2.gz DHMFRKXQUDCGBE-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCN1C ZINC000579833671 397594431 /nfs/dbraw/zinc/59/44/31/397594431.db2.gz DLQXJWZVHUNKLV-FRRDWIJNSA-N 1 3 306.414 0.243 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000605413669 397664224 /nfs/dbraw/zinc/66/42/24/397664224.db2.gz SSBRLPKHODCENT-LSDHHAIUSA-N 1 3 312.458 0.737 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000605413669 397664228 /nfs/dbraw/zinc/66/42/28/397664228.db2.gz SSBRLPKHODCENT-LSDHHAIUSA-N 1 3 312.458 0.737 20 0 DCADHO CC1CCN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000121703111 158213801 /nfs/dbraw/zinc/21/38/01/158213801.db2.gz FBHGQPYUPUTXJI-HNNXBMFYSA-N 1 3 300.447 0.330 20 0 DCADHO CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)NC(=O)[C@@H](CC)N(C)C ZINC000359248601 159256026 /nfs/dbraw/zinc/25/60/26/159256026.db2.gz HFGXNXQERWZJKT-HZSPNIEDSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)NC(=O)[C@@H](CC)[NH+](C)C ZINC000359248601 159256029 /nfs/dbraw/zinc/25/60/29/159256029.db2.gz HFGXNXQERWZJKT-HZSPNIEDSA-N 1 3 314.474 0.678 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000366993688 159303709 /nfs/dbraw/zinc/30/37/09/159303709.db2.gz MLRHEQHBZAHPPB-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO CCN(CCO)CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000187081772 287058498 /nfs/dbraw/zinc/05/84/98/287058498.db2.gz WLXCSLYHPJJPPH-UHFFFAOYSA-N 1 3 314.474 0.864 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000342088790 287152283 /nfs/dbraw/zinc/15/22/83/287152283.db2.gz ANGOZWWIUXLCBM-CAOSSQGBSA-N 1 3 308.470 0.598 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[N@@H+]1C1CC1 ZINC000363953046 287221044 /nfs/dbraw/zinc/22/10/44/287221044.db2.gz OBDJWUXOLFWZJI-BFJAYTPKSA-N 1 3 322.453 0.774 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[N@H+]1C1CC1 ZINC000363953046 287221047 /nfs/dbraw/zinc/22/10/47/287221047.db2.gz OBDJWUXOLFWZJI-BFJAYTPKSA-N 1 3 322.453 0.774 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415758466 287237180 /nfs/dbraw/zinc/23/71/80/287237180.db2.gz PESLJBNSBCGBRP-HNNXBMFYSA-N 1 3 308.430 0.956 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418393928 287247605 /nfs/dbraw/zinc/24/76/05/287247605.db2.gz FRSOCACETIRYOR-HNNXBMFYSA-N 1 3 305.426 0.892 20 0 DCADHO C[C@@]1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCC[NH2+]C1 ZINC000418536092 287250007 /nfs/dbraw/zinc/25/00/07/287250007.db2.gz IGJIZSCAJDKRTQ-GOEBONIOSA-N 1 3 312.458 0.522 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419021330 287261667 /nfs/dbraw/zinc/26/16/67/287261667.db2.gz GVIXOLZXTMEOTC-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419046194 287263810 /nfs/dbraw/zinc/26/38/10/287263810.db2.gz PINQFUGUDDGXPX-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419227555 287276171 /nfs/dbraw/zinc/27/61/71/287276171.db2.gz KVQSNSRGKBKDRK-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000419338442 287281133 /nfs/dbraw/zinc/28/11/33/287281133.db2.gz SOOFDOCYFFWORN-BZPMIXESSA-N 1 3 310.442 0.075 20 0 DCADHO NC(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420301591 287287695 /nfs/dbraw/zinc/28/76/95/287287695.db2.gz LNSPVSLLEKUJIR-PMPSAXMXSA-N 1 3 305.422 0.647 20 0 DCADHO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420301591 287287696 /nfs/dbraw/zinc/28/76/96/287287696.db2.gz LNSPVSLLEKUJIR-PMPSAXMXSA-N 1 3 305.422 0.647 20 0 DCADHO NC(=O)C[C@H]1CCCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420301591 287287698 /nfs/dbraw/zinc/28/76/98/287287698.db2.gz LNSPVSLLEKUJIR-PMPSAXMXSA-N 1 3 305.422 0.647 20 0 DCADHO CC(C)CNC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345377 287293039 /nfs/dbraw/zinc/29/30/39/287293039.db2.gz WAPDLFIEPPCFDS-UONOGXRCSA-N 1 3 310.442 0.790 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000342765414 415284376 /nfs/dbraw/zinc/28/43/76/415284376.db2.gz NXAGGCOIZXXFMJ-NEPJUHHUSA-N 1 3 301.431 0.750 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332271955 415325018 /nfs/dbraw/zinc/32/50/18/415325018.db2.gz CGXXLHHTYVOCRJ-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO COCCCN(C)CCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000074085678 415430284 /nfs/dbraw/zinc/43/02/84/415430284.db2.gz DFCQHGUJXSFPNO-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO COc1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000077760370 415462499 /nfs/dbraw/zinc/46/24/99/415462499.db2.gz AAXYDUCTDWQNEN-UHFFFAOYSA-N 1 3 323.441 0.725 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279076524 415513751 /nfs/dbraw/zinc/51/37/51/415513751.db2.gz UQPNCTUSOSJVRE-ZETOZRRWSA-N 1 3 303.410 0.699 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343291905 415537811 /nfs/dbraw/zinc/53/78/11/415537811.db2.gz DAWAWLBBNLAUDI-BZUAXINKSA-N 1 3 308.470 0.565 20 0 DCADHO NC(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(F)(F)F ZINC000353442711 415547128 /nfs/dbraw/zinc/54/71/28/415547128.db2.gz GJKRIJFZQNRFAG-MWLCHTKSSA-N 1 3 309.332 0.493 20 0 DCADHO CCCC[C@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353670168 415620681 /nfs/dbraw/zinc/62/06/81/415620681.db2.gz ZGGQARKICPWCDA-AWEZNQCLSA-N 1 3 312.458 0.563 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000343708097 415691495 /nfs/dbraw/zinc/69/14/95/415691495.db2.gz AIFOJCQUYMGYQK-DLBZAZTESA-N 1 3 320.481 0.853 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000343710662 415696758 /nfs/dbraw/zinc/69/67/58/415696758.db2.gz FWIXYJXHIVTUAM-CVEARBPZSA-N 1 3 306.454 0.321 20 0 DCADHO CC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000343769899 415720002 /nfs/dbraw/zinc/72/00/02/415720002.db2.gz QTZLFTXAQRBUEZ-YOEHRIQHSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@H]1C ZINC000333642465 415700818 /nfs/dbraw/zinc/70/08/18/415700818.db2.gz IMFHLPFCODSIEO-FXQLRMTLSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@H]1C ZINC000333642465 415700822 /nfs/dbraw/zinc/70/08/22/415700822.db2.gz IMFHLPFCODSIEO-FXQLRMTLSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000333826763 415745001 /nfs/dbraw/zinc/74/50/01/415745001.db2.gz LSTKWHSMQYWSRZ-SQWLQELKSA-N 1 3 324.469 0.879 20 0 DCADHO CO[C@@H](CN)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000289994706 415746029 /nfs/dbraw/zinc/74/60/29/415746029.db2.gz OZSUMFWTFNYKEG-INIZCTEOSA-N 1 3 305.422 0.989 20 0 DCADHO CC1CCN(CCNC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000333945847 415767604 /nfs/dbraw/zinc/76/76/04/415767604.db2.gz UBLJXUVQVQBRIQ-INIZCTEOSA-N 1 3 323.485 0.407 20 0 DCADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C[NH3+])OC)cc2)CC1 ZINC000290254728 415781082 /nfs/dbraw/zinc/78/10/82/415781082.db2.gz WULGCGSLXXYTSP-INIZCTEOSA-N 1 3 320.437 0.736 20 0 DCADHO C[C@@H]1CN(CCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337307680 415940475 /nfs/dbraw/zinc/94/04/75/415940475.db2.gz WVRROCXUAIDMIA-RCCFBDPRSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337307680 415940478 /nfs/dbraw/zinc/94/04/78/415940478.db2.gz WVRROCXUAIDMIA-RCCFBDPRSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337307680 415940484 /nfs/dbraw/zinc/94/04/84/415940484.db2.gz WVRROCXUAIDMIA-RCCFBDPRSA-N 1 3 324.513 0.665 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnn(C)c1 ZINC000337589874 415980767 /nfs/dbraw/zinc/98/07/67/415980767.db2.gz WCQANPCQQCBASB-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnn(C)c1 ZINC000337589874 415980771 /nfs/dbraw/zinc/98/07/71/415980771.db2.gz WCQANPCQQCBASB-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CNC)c1 ZINC000164759368 416018898 /nfs/dbraw/zinc/01/88/98/416018898.db2.gz MXKGDJAEFIZSGQ-UHFFFAOYSA-N 1 3 306.410 0.916 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000357162405 416040233 /nfs/dbraw/zinc/04/02/33/416040233.db2.gz ZUVKIVKYDYVAPO-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC2(C)CC[NH+](C)CC2)CC1=O ZINC000357460395 416084448 /nfs/dbraw/zinc/08/44/48/416084448.db2.gz BUSYCWXANMAYII-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1ccnn1 ZINC000338387121 416089372 /nfs/dbraw/zinc/08/93/72/416089372.db2.gz PCCUSRKZSVSXPI-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1ccnn1 ZINC000338387121 416089376 /nfs/dbraw/zinc/08/93/76/416089376.db2.gz PCCUSRKZSVSXPI-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CCN1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@H]1C ZINC000345731515 416140871 /nfs/dbraw/zinc/14/08/71/416140871.db2.gz HQGKKYQDTZKOLT-QLFBSQMISA-N 1 3 312.458 0.831 20 0 DCADHO CCN1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@H]1C ZINC000345731515 416140876 /nfs/dbraw/zinc/14/08/76/416140876.db2.gz HQGKKYQDTZKOLT-QLFBSQMISA-N 1 3 312.458 0.831 20 0 DCADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 ZINC000357927374 416154232 /nfs/dbraw/zinc/15/42/32/416154232.db2.gz QUMHKDAHWAVAEZ-KGLIPLIRSA-N 1 3 320.393 0.238 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206377 416180746 /nfs/dbraw/zinc/18/07/46/416180746.db2.gz WTWJMENXMZPPMZ-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347999136 416229060 /nfs/dbraw/zinc/22/90/60/416229060.db2.gz GBRIBACDTVXSQM-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000347999136 416229063 /nfs/dbraw/zinc/22/90/63/416229063.db2.gz GBRIBACDTVXSQM-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)C1 ZINC000357950746 416159075 /nfs/dbraw/zinc/15/90/75/416159075.db2.gz AKHINBRFZUPJIB-KGLIPLIRSA-N 1 3 300.447 0.735 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000357950746 416159078 /nfs/dbraw/zinc/15/90/78/416159078.db2.gz AKHINBRFZUPJIB-KGLIPLIRSA-N 1 3 300.447 0.735 20 0 DCADHO O[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339780906 416165157 /nfs/dbraw/zinc/16/51/57/416165157.db2.gz KLOSLABZNDKVNN-HZPDHXFCSA-N 1 3 300.443 0.697 20 0 DCADHO O[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339780906 416165162 /nfs/dbraw/zinc/16/51/62/416165162.db2.gz KLOSLABZNDKVNN-HZPDHXFCSA-N 1 3 300.443 0.697 20 0 DCADHO CN1CCCN(c2cc(N3CCC[N@H+](C)CC3)ncn2)CC1 ZINC000185086281 416252694 /nfs/dbraw/zinc/25/26/94/416252694.db2.gz VRYVEEHXFPTJLU-UHFFFAOYSA-N 1 3 304.442 0.760 20 0 DCADHO CN1CCCN(c2cc(N3CCC[N@@H+](C)CC3)ncn2)CC1 ZINC000185086281 416252698 /nfs/dbraw/zinc/25/26/98/416252698.db2.gz VRYVEEHXFPTJLU-UHFFFAOYSA-N 1 3 304.442 0.760 20 0 DCADHO CC1CC[NH+](CCCNC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000358683642 416268948 /nfs/dbraw/zinc/26/89/48/416268948.db2.gz RLYAEGMESGZJFC-MRXNPFEDSA-N 1 3 312.458 0.474 20 0 DCADHO CCC[C@H]1C[NH2+]CCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000359048505 416300879 /nfs/dbraw/zinc/30/08/79/416300879.db2.gz VRPRJUUVTGGCPI-INIZCTEOSA-N 1 3 308.470 0.803 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000359261078 416317070 /nfs/dbraw/zinc/31/70/70/416317070.db2.gz JSJPOPRMVRWDNR-KGLIPLIRSA-N 1 3 324.469 0.600 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000359261078 416317073 /nfs/dbraw/zinc/31/70/73/416317073.db2.gz JSJPOPRMVRWDNR-KGLIPLIRSA-N 1 3 324.469 0.600 20 0 DCADHO [NH3+]CCc1nc(C(=O)NCCCN2CCC(O)CC2)cs1 ZINC000358859302 416285592 /nfs/dbraw/zinc/28/55/92/416285592.db2.gz PLRPFHSJWVXVGB-UHFFFAOYSA-N 1 3 312.439 0.221 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NCCNc1ccncc1)C(F)(F)F ZINC000416009905 416358284 /nfs/dbraw/zinc/35/82/84/416358284.db2.gz PUORMIDMVKBKPS-JTQLQIEISA-N 1 3 305.304 0.494 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000263339132 416337842 /nfs/dbraw/zinc/33/78/42/416337842.db2.gz OKYGQUPQRDKKIW-MRXNPFEDSA-N 1 3 304.438 0.830 20 0 DCADHO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCC2)ccc1CN(C)C ZINC000415560889 416348056 /nfs/dbraw/zinc/34/80/56/416348056.db2.gz NKGHVODNYXCDFG-UHFFFAOYSA-N 1 3 318.421 0.993 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000417560385 416383421 /nfs/dbraw/zinc/38/34/21/416383421.db2.gz ZRVICSMDEVWJDW-GJZGRUSLSA-N 1 3 312.458 0.929 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000417560385 416383423 /nfs/dbraw/zinc/38/34/23/416383423.db2.gz ZRVICSMDEVWJDW-GJZGRUSLSA-N 1 3 312.458 0.929 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CNCCO1)C(C)(C)C ZINC000417683223 416384047 /nfs/dbraw/zinc/38/40/47/416384047.db2.gz UPQHUTWGQRXVHH-OLZOCXBDSA-N 1 3 300.447 0.640 20 0 DCADHO C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)[C@@H]1CCC[NH2+]C1 ZINC000418307235 416385897 /nfs/dbraw/zinc/38/58/97/416385897.db2.gz CPKSXEICDHNZSD-RRFJBIMHSA-N 1 3 312.458 0.521 20 0 DCADHO N[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000418442365 416386841 /nfs/dbraw/zinc/38/68/41/416386841.db2.gz DQSJUMLTTJOCSI-CVEARBPZSA-N 1 3 317.437 0.376 20 0 DCADHO N[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000418442374 416387059 /nfs/dbraw/zinc/38/70/59/416387059.db2.gz DQSJUMLTTJOCSI-JKSUJKDBSA-N 1 3 317.437 0.376 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000418832335 416391774 /nfs/dbraw/zinc/39/17/74/416391774.db2.gz JZWRJCWMGGJQTG-UONOGXRCSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419416013 416401548 /nfs/dbraw/zinc/40/15/48/416401548.db2.gz VQQIFTGGYMTOIO-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000360776991 416409905 /nfs/dbraw/zinc/40/99/05/416409905.db2.gz ISOALVOEMJSQCG-ZBFHGGJFSA-N 1 3 308.470 0.885 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000360776991 416409906 /nfs/dbraw/zinc/40/99/06/416409906.db2.gz ISOALVOEMJSQCG-ZBFHGGJFSA-N 1 3 308.470 0.885 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419777032 416410932 /nfs/dbraw/zinc/41/09/32/416410932.db2.gz MMDBXOKUVHMZCX-STQMWFEESA-N 1 3 310.442 0.077 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419784260 416411506 /nfs/dbraw/zinc/41/15/06/416411506.db2.gz WLOLZWLVJVTZMC-MCIONIFRSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423061342 416462896 /nfs/dbraw/zinc/46/28/96/416462896.db2.gz KIPHXWVFGMDJQA-QGZVFWFLSA-N 1 3 324.469 0.245 20 0 DCADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@@H]1CCN(C2CC2)C1 ZINC000458396342 416463699 /nfs/dbraw/zinc/46/36/99/416463699.db2.gz DPVBWVGUFZGPNF-UKRRQHHQSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@@H]1CCN(C2CC2)C1 ZINC000458396342 416463704 /nfs/dbraw/zinc/46/37/04/416463704.db2.gz DPVBWVGUFZGPNF-UKRRQHHQSA-N 1 3 310.442 0.369 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000423063249 416464108 /nfs/dbraw/zinc/46/41/08/416464108.db2.gz OJRPCUKAETXARD-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000423156219 416470237 /nfs/dbraw/zinc/47/02/37/416470237.db2.gz KNVPNKAZDWPRAE-CFVMTHIKSA-N 1 3 313.467 0.862 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423158621 416471409 /nfs/dbraw/zinc/47/14/09/416471409.db2.gz WWENLHZIDQPYCP-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CN(CCN)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423249312 416482333 /nfs/dbraw/zinc/48/23/33/416482333.db2.gz OPMRQDJCTWUDQO-OAHLLOKOSA-N 1 3 324.469 0.518 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CN1C1CC1 ZINC000422410457 416429570 /nfs/dbraw/zinc/42/95/70/416429570.db2.gz GDNCYOKVTWVIJE-VNHYZAJKSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CN1C1CC1 ZINC000422410457 416429572 /nfs/dbraw/zinc/42/95/72/416429572.db2.gz GDNCYOKVTWVIJE-VNHYZAJKSA-N 1 3 322.453 0.280 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422609997 416441927 /nfs/dbraw/zinc/44/19/27/416441927.db2.gz XKWWSPJCQLSYGT-CQSZACIVSA-N 1 3 313.490 0.687 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459068933 416521428 /nfs/dbraw/zinc/52/14/28/416521428.db2.gz WUIKSZRPLXZLMX-GOOCMWNKSA-N 1 3 312.458 0.831 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459068933 416521433 /nfs/dbraw/zinc/52/14/33/416521433.db2.gz WUIKSZRPLXZLMX-GOOCMWNKSA-N 1 3 312.458 0.831 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000423589893 416524949 /nfs/dbraw/zinc/52/49/49/416524949.db2.gz IJQJCEAFMOQACG-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535718493 416525716 /nfs/dbraw/zinc/52/57/16/416525716.db2.gz WKCPEDDTBJBGMY-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535718493 416525719 /nfs/dbraw/zinc/52/57/19/416525719.db2.gz WKCPEDDTBJBGMY-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CCCN(C(=O)C(=O)N(C)CC1(N(C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000423636431 416533282 /nfs/dbraw/zinc/53/32/82/416533282.db2.gz BDWOUMBGHPDZNP-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000423740719 416554487 /nfs/dbraw/zinc/55/44/87/416554487.db2.gz GXZGTWLJJWRAFY-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000584166947 416503190 /nfs/dbraw/zinc/50/31/90/416503190.db2.gz VYAXMCXDDDQXQK-BYNSBNAKSA-N 1 3 322.453 0.123 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423419428 416507980 /nfs/dbraw/zinc/50/79/80/416507980.db2.gz WCUVUEUHZMMUSH-AWEZNQCLSA-N 1 3 312.458 0.374 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Nc2ccncc2)cc1 ZINC000423997261 416602109 /nfs/dbraw/zinc/60/21/09/416602109.db2.gz YBYJDDBATBSHPH-MRXNPFEDSA-N 1 3 312.373 0.965 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CCOC2CNC2)C[C@H]1c1cccc(F)c1 ZINC000424015150 416604799 /nfs/dbraw/zinc/60/47/99/416604799.db2.gz YHUJLTWCZHYZCA-LSDHHAIUSA-N 1 3 307.369 0.457 20 0 DCADHO NC(C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C(F)(F)F ZINC000424033980 416606971 /nfs/dbraw/zinc/60/69/71/416606971.db2.gz ZCLIFDPHDORZPJ-GDPRMGEGSA-N 1 3 305.275 0.968 20 0 DCADHO C[C@H]1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000540011968 416588098 /nfs/dbraw/zinc/58/80/98/416588098.db2.gz CUIUIOWPFDCHDA-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CN1C1CC1 ZINC000424160854 416619471 /nfs/dbraw/zinc/61/94/71/416619471.db2.gz XLOHBXKTWABRJC-DYEKYZERSA-N 1 3 318.425 0.558 20 0 DCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000424193958 416626418 /nfs/dbraw/zinc/62/64/18/416626418.db2.gz KZKYLEKCMDYYEW-UONOGXRCSA-N 1 3 317.437 0.930 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000609291429 416653194 /nfs/dbraw/zinc/65/31/94/416653194.db2.gz UHUGFNBZIKUUNM-JKSUJKDBSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC000609291429 416653196 /nfs/dbraw/zinc/65/31/96/416653196.db2.gz UHUGFNBZIKUUNM-JKSUJKDBSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440975807 416656015 /nfs/dbraw/zinc/65/60/15/416656015.db2.gz AVNJLMYCFPCIAT-CQSZACIVSA-N 1 3 313.490 0.652 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425657862 416719506 /nfs/dbraw/zinc/71/95/06/416719506.db2.gz RVFCSQHNNWNEKV-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425657862 416719509 /nfs/dbraw/zinc/71/95/09/416719509.db2.gz RVFCSQHNNWNEKV-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)C1 ZINC000443062652 416728778 /nfs/dbraw/zinc/72/87/78/416728778.db2.gz UPUNZKGDEGBHLS-HUUCEWRRSA-N 1 3 310.442 0.174 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000557201443 416729546 /nfs/dbraw/zinc/72/95/46/416729546.db2.gz YEFUXLAJRNYZEM-KBPBESRZSA-N 1 3 311.474 0.310 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426340429 416758524 /nfs/dbraw/zinc/75/85/24/416758524.db2.gz QQAYEXROISWXMW-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426340429 416758529 /nfs/dbraw/zinc/75/85/29/416758529.db2.gz QQAYEXROISWXMW-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631905247 416788158 /nfs/dbraw/zinc/78/81/58/416788158.db2.gz IRHVARQTVGIIQE-KGLIPLIRSA-N 1 3 303.472 0.861 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000517582703 416811113 /nfs/dbraw/zinc/81/11/13/416811113.db2.gz SSJNNKWWHMRQSD-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623635348 416860617 /nfs/dbraw/zinc/86/06/17/416860617.db2.gz DVHVCTLFNAPJRW-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623635348 416860621 /nfs/dbraw/zinc/86/06/21/416860621.db2.gz DVHVCTLFNAPJRW-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000632016753 416870367 /nfs/dbraw/zinc/87/03/67/416870367.db2.gz BJFOIXVVEYPRMM-CQSZACIVSA-N 1 3 303.472 0.686 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000615615693 416870603 /nfs/dbraw/zinc/87/06/03/416870603.db2.gz BWDJHJYUAHIQOZ-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000615615693 416870609 /nfs/dbraw/zinc/87/06/09/416870609.db2.gz BWDJHJYUAHIQOZ-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623710077 416872135 /nfs/dbraw/zinc/87/21/35/416872135.db2.gz SZKLXNWITTZDSO-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623710077 416872141 /nfs/dbraw/zinc/87/21/41/416872141.db2.gz SZKLXNWITTZDSO-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000518942790 416881673 /nfs/dbraw/zinc/88/16/73/416881673.db2.gz VUEQCQYOSIATQS-HNNXBMFYSA-N 1 3 313.490 0.653 20 0 DCADHO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632046765 416885207 /nfs/dbraw/zinc/88/52/07/416885207.db2.gz TVNCGDMRSZCBEL-CQSZACIVSA-N 1 3 305.488 0.932 20 0 DCADHO COCCCN(C)CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445876321 416902200 /nfs/dbraw/zinc/90/22/00/416902200.db2.gz UZZLYVKWDGXMDE-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000519396033 416904410 /nfs/dbraw/zinc/90/44/10/416904410.db2.gz UDPSUKNPHBBVIO-TVRNETQVSA-N 1 3 307.438 0.587 20 0 DCADHO NC(=O)c1cccnc1N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000565046882 416916933 /nfs/dbraw/zinc/91/69/33/416916933.db2.gz WJASZMMGPAPMAS-CYBMUJFWSA-N 1 3 303.410 0.302 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000565122124 416924480 /nfs/dbraw/zinc/92/44/80/416924480.db2.gz FIAXPWIBNGUDBF-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000519706059 416931488 /nfs/dbraw/zinc/93/14/88/416931488.db2.gz PCWVYGBJUWJOAB-UHFFFAOYSA-N 1 3 312.458 0.868 20 0 DCADHO C[C@H]1C[C@@H](O)CCN1CCOCC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429123158 416946868 /nfs/dbraw/zinc/94/68/68/416946868.db2.gz ORGKHCHFGASOOH-VGWMRTNUSA-N 1 3 300.443 0.693 20 0 DCADHO C[C@H]1C[C@@H](O)CCN1CCOCC[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429123158 416946872 /nfs/dbraw/zinc/94/68/72/416946872.db2.gz ORGKHCHFGASOOH-VGWMRTNUSA-N 1 3 300.443 0.693 20 0 DCADHO CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000521516082 417017527 /nfs/dbraw/zinc/01/75/27/417017527.db2.gz QRTYPSWOFUJILH-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000521592108 417019301 /nfs/dbraw/zinc/01/93/01/417019301.db2.gz YMOBZAKJGLHUMI-GFCCVEGCSA-N 1 3 318.421 0.320 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000565528777 416987073 /nfs/dbraw/zinc/98/70/73/416987073.db2.gz AUPHWPXOTHKWBE-GJZGRUSLSA-N 1 3 309.458 0.160 20 0 DCADHO COC[C@@]1(CNC(=O)N(C)C[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000641800415 417004467 /nfs/dbraw/zinc/00/44/67/417004467.db2.gz JBCPWIBAQYHNFN-HOCLYGCPSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2)C[NH+](C)C ZINC000521359207 417007188 /nfs/dbraw/zinc/00/71/88/417007188.db2.gz BREPNQYKTMUEEX-GFCCVEGCSA-N 1 3 318.421 0.585 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642439391 417051135 /nfs/dbraw/zinc/05/11/35/417051135.db2.gz DWYIEHAUAHBNPA-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000522138272 417051305 /nfs/dbraw/zinc/05/13/05/417051305.db2.gz WWTJVEQTPIWMAX-INIZCTEOSA-N 1 3 308.470 0.424 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000522138272 417051312 /nfs/dbraw/zinc/05/13/12/417051312.db2.gz WWTJVEQTPIWMAX-INIZCTEOSA-N 1 3 308.470 0.424 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000642431188 417053545 /nfs/dbraw/zinc/05/35/45/417053545.db2.gz QJGMHFASASMFON-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CCC(C)CC1 ZINC000642644541 417065441 /nfs/dbraw/zinc/06/54/41/417065441.db2.gz ZKGPWEDBKJKYNS-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCC(C)CC1 ZINC000642644508 417065508 /nfs/dbraw/zinc/06/55/08/417065508.db2.gz VHRNWUAFLNKEBV-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000377935148 417071775 /nfs/dbraw/zinc/07/17/75/417071775.db2.gz DCBDLWLOEZBIDJ-INIZCTEOSA-N 1 3 320.481 0.853 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2CC)CC[C@@H]1[NH3+] ZINC000642773444 417093707 /nfs/dbraw/zinc/09/37/07/417093707.db2.gz ZVORGECDHCKLDH-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000430635336 287348997 /nfs/dbraw/zinc/34/89/97/287348997.db2.gz GSDDVCXCTLKSPC-CYBMUJFWSA-N 1 3 309.385 0.991 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000642908454 417117770 /nfs/dbraw/zinc/11/77/70/417117770.db2.gz RZZKPOTWLUIOHY-GFCCVEGCSA-N 1 3 324.400 0.179 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000642911628 417120994 /nfs/dbraw/zinc/12/09/94/417120994.db2.gz KRFOVZHCVLBDHE-KFWWJZLASA-N 1 3 322.453 0.459 20 0 DCADHO CCC(CC)[C@H](CNC(=O)C(=O)NC1CNC1)[NH+]1CCCC1 ZINC000642926326 417126483 /nfs/dbraw/zinc/12/64/83/417126483.db2.gz HVXOKBNNPCBVLT-AWEZNQCLSA-N 1 3 310.442 0.091 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000642988260 417138386 /nfs/dbraw/zinc/13/83/86/417138386.db2.gz SFIZTWSJJUYSQF-UONOGXRCSA-N 1 3 312.458 0.609 20 0 DCADHO COCCOCCN(C)CCC(=O)N(C)C1CC[NH2+]CC1 ZINC000637810556 417191400 /nfs/dbraw/zinc/19/14/00/417191400.db2.gz HXXQDEDUQKNARE-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000627023109 417213201 /nfs/dbraw/zinc/21/32/01/417213201.db2.gz LMUVANSNBVMJAF-ZDUSSCGKSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN(C)S(C)(=O)=O ZINC000643460812 417213835 /nfs/dbraw/zinc/21/38/35/417213835.db2.gz HRDCXCFRMASRRP-HIFRSBDPSA-N 1 3 313.467 0.816 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643482901 417222994 /nfs/dbraw/zinc/22/29/94/417222994.db2.gz TWEMWESJMZVEPN-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000643498724 417226669 /nfs/dbraw/zinc/22/66/69/417226669.db2.gz JOQHNKSLQKWAAI-CABCVRRESA-N 1 3 322.453 0.271 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000637986567 417267555 /nfs/dbraw/zinc/26/75/55/417267555.db2.gz VQNGNKHTQQCRBC-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO CN1CCC(C[NH2+][C@H]2CCOC2(C)C)(N2CCOCC2)CC1 ZINC000414202761 417268064 /nfs/dbraw/zinc/26/80/64/417268064.db2.gz USZGVNPWBZNQOD-HNNXBMFYSA-N 1 3 311.470 0.940 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000643592601 417249952 /nfs/dbraw/zinc/24/99/52/417249952.db2.gz CNUYWVGFQWBBGQ-VNHYZAJKSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000643592601 417249960 /nfs/dbraw/zinc/24/99/60/417249960.db2.gz CNUYWVGFQWBBGQ-VNHYZAJKSA-N 1 3 322.453 0.267 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)ccc1CN(C)C ZINC000415271765 417351755 /nfs/dbraw/zinc/35/17/55/417351755.db2.gz OSPIYQCPXYRSEP-CQSZACIVSA-N 1 3 318.421 0.945 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415298269 417360902 /nfs/dbraw/zinc/36/09/02/417360902.db2.gz LFDRVHCHLDQIHF-AWEZNQCLSA-N 1 3 318.421 0.550 20 0 DCADHO COc1cc2c(cc1CNCCCN1CC[NH2+]CC1)OCO2 ZINC000414785771 417304583 /nfs/dbraw/zinc/30/45/83/417304583.db2.gz WEPMWELTJPWRKU-UHFFFAOYSA-N 1 3 307.394 0.809 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414878026 417310901 /nfs/dbraw/zinc/31/09/01/417310901.db2.gz MYEXROFVYGENDG-UHFFFAOYSA-N 1 3 306.410 0.932 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000621831203 417311315 /nfs/dbraw/zinc/31/13/15/417311315.db2.gz URSKMLUKSRVBAA-LBPRGKRZSA-N 1 3 322.409 0.419 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621839384 417316795 /nfs/dbraw/zinc/31/67/95/417316795.db2.gz RWHWWUDWBATSDK-CPUCHLNUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638084356 417319290 /nfs/dbraw/zinc/31/92/90/417319290.db2.gz KDWMCVPWOHTQKK-GOEBONIOSA-N 1 3 306.454 0.902 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627268666 417322539 /nfs/dbraw/zinc/32/25/39/417322539.db2.gz GRUBNCSCJVHRQG-IRXDYDNUSA-N 1 3 321.465 0.918 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638091527 417322660 /nfs/dbraw/zinc/32/26/60/417322660.db2.gz WZKSOPQYAXPFCU-LVQVYYBASA-N 1 3 324.469 0.120 20 0 DCADHO CCS(=O)(=O)NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415077737 417326687 /nfs/dbraw/zinc/32/66/87/417326687.db2.gz HZHUONLMNOJJDH-BFHYXJOUSA-N 1 3 303.472 0.826 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000627304003 417339951 /nfs/dbraw/zinc/33/99/51/417339951.db2.gz JOAQQDMHMDEVAN-CQSZACIVSA-N 1 3 320.437 0.430 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)n1 ZINC000415216627 417343569 /nfs/dbraw/zinc/34/35/69/417343569.db2.gz PLWRIISCNNRCKM-CYBMUJFWSA-N 1 3 308.430 0.956 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000638242756 417390167 /nfs/dbraw/zinc/39/01/67/417390167.db2.gz SMFAZKUGIJHBCF-XJKSGUPXSA-N 1 3 305.378 0.874 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000638257957 417394984 /nfs/dbraw/zinc/39/49/84/417394984.db2.gz DNZKIFVZFNXQOC-QWHCGFSZSA-N 1 3 314.380 0.544 20 0 DCADHO COC[C@]1(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCCN1 ZINC000638264555 417395747 /nfs/dbraw/zinc/39/57/47/417395747.db2.gz YFFXWABQOYDOKB-UXLLHSPISA-N 1 3 309.454 0.993 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000638337164 417424139 /nfs/dbraw/zinc/42/41/39/417424139.db2.gz PFOTXFKUSPQXCF-UWWQBHOKSA-N 1 3 318.465 0.889 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000638342958 417427003 /nfs/dbraw/zinc/42/70/03/417427003.db2.gz PFMHRUVEQDLMJA-LSDHHAIUSA-N 1 3 315.458 0.415 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638201547 417371888 /nfs/dbraw/zinc/37/18/88/417371888.db2.gz MNOPKLCHBCBGQQ-YESZJQIVSA-N 1 3 316.449 0.656 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622029176 417372430 /nfs/dbraw/zinc/37/24/30/417372430.db2.gz BBULKPUHZUDDDL-JKIFEVAISA-N 1 3 322.453 0.267 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000638209566 417376407 /nfs/dbraw/zinc/37/64/07/417376407.db2.gz DRDALDJFPJGXPD-VNQPRFMTSA-N 1 3 304.438 0.702 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638207520 417377418 /nfs/dbraw/zinc/37/74/18/417377418.db2.gz ZDTNBMQZEBNLOL-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638207520 417377424 /nfs/dbraw/zinc/37/74/24/417377424.db2.gz ZDTNBMQZEBNLOL-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO [NH3+][C@H]1CC=C(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000638407731 417447224 /nfs/dbraw/zinc/44/72/24/417447224.db2.gz WJOOEPMECIBGFU-IRXDYDNUSA-N 1 3 315.417 0.917 20 0 DCADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638414703 417450589 /nfs/dbraw/zinc/45/05/89/417450589.db2.gz BFUGKJVAOLWZSS-YESZJQIVSA-N 1 3 317.433 0.878 20 0 DCADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638414703 417450595 /nfs/dbraw/zinc/45/05/95/417450595.db2.gz BFUGKJVAOLWZSS-YESZJQIVSA-N 1 3 317.433 0.878 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCCOC[C@H]2CCOC2)CC1 ZINC000638522747 417480812 /nfs/dbraw/zinc/48/08/12/417480812.db2.gz VURPBFIDHYFTBN-AWEZNQCLSA-N 1 3 300.443 0.864 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000638526528 417482257 /nfs/dbraw/zinc/48/22/57/417482257.db2.gz MAQUUTJUHSYMBR-YUELXQCFSA-N 1 3 316.405 0.667 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000638525424 417483281 /nfs/dbraw/zinc/48/32/81/417483281.db2.gz XSAUCTWJXQJKGX-CQSZACIVSA-N 1 3 304.394 0.669 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000638727646 417540459 /nfs/dbraw/zinc/54/04/59/417540459.db2.gz HNZOSKSKPWWHJH-KFWWJZLASA-N 1 3 307.438 0.840 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000575741160 417543692 /nfs/dbraw/zinc/54/36/92/417543692.db2.gz RUSCKLWOYVQXMQ-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO N[C@@H](CC1CCCCC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000638754434 417550573 /nfs/dbraw/zinc/55/05/73/417550573.db2.gz ZNZHXIFLLIQLOI-CABCVRRESA-N 1 3 320.441 0.726 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)nn1 ZINC000635000313 417554767 /nfs/dbraw/zinc/55/47/67/417554767.db2.gz LRUSMYMETCCWDD-INIZCTEOSA-N 1 3 324.392 0.765 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)nn1 ZINC000635000313 417554775 /nfs/dbraw/zinc/55/47/75/417554775.db2.gz LRUSMYMETCCWDD-INIZCTEOSA-N 1 3 324.392 0.765 20 0 DCADHO O[C@]1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000634642549 417521738 /nfs/dbraw/zinc/52/17/38/417521738.db2.gz LYHYDLNDLFWXFU-OKZBNKHCSA-N 1 3 301.434 0.775 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](n2cc(CN)nn2)C1)[NH+](CC)CC ZINC000638906540 417581435 /nfs/dbraw/zinc/58/14/35/417581435.db2.gz UYOKYKDKBMEXQC-KGLIPLIRSA-N 1 3 308.430 0.631 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000576350798 417601837 /nfs/dbraw/zinc/60/18/37/417601837.db2.gz OBQCTSBIQQUAAF-HUUCEWRRSA-N 1 3 313.442 0.369 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000639024686 417607015 /nfs/dbraw/zinc/60/70/15/417607015.db2.gz WJRYDODAGZECDP-ZFWWWQNUSA-N 1 3 305.426 0.659 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000454617255 417571287 /nfs/dbraw/zinc/57/12/87/417571287.db2.gz KETDRPXRHRBLDB-CABCVRRESA-N 1 3 313.490 0.509 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457108952 417686631 /nfs/dbraw/zinc/68/66/31/417686631.db2.gz GMVRPMGSLQCNAY-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457108952 417686635 /nfs/dbraw/zinc/68/66/35/417686635.db2.gz GMVRPMGSLQCNAY-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCN1C ZINC000639261033 417647587 /nfs/dbraw/zinc/64/75/87/417647587.db2.gz KDDJFSHIGKMDGY-IAGOWNOFSA-N 1 3 324.513 0.855 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N(C)CCC[NH3+])ccn1 ZINC000577074734 417662512 /nfs/dbraw/zinc/66/25/12/417662512.db2.gz KLDSCYFCQYNVHV-UHFFFAOYSA-N 1 3 309.414 0.512 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000580566686 417714006 /nfs/dbraw/zinc/71/40/06/417714006.db2.gz BCHLSKVYFNVWNA-DOTOQJQBSA-N 1 3 313.486 0.732 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000580566686 417714009 /nfs/dbraw/zinc/71/40/09/417714009.db2.gz BCHLSKVYFNVWNA-DOTOQJQBSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1nc(N)nc2c1CCCC2 ZINC000645216489 417714817 /nfs/dbraw/zinc/71/48/17/417714817.db2.gz PTXUYDYIAPGIJP-ZDUSSCGKSA-N 1 3 318.469 0.797 20 0 DCADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000580579916 417715685 /nfs/dbraw/zinc/71/56/85/417715685.db2.gz AISHXYROSSWBOT-YVSFHVDLSA-N 1 3 313.486 0.873 20 0 DCADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000580579916 417715689 /nfs/dbraw/zinc/71/56/89/417715689.db2.gz AISHXYROSSWBOT-YVSFHVDLSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580569058 417715969 /nfs/dbraw/zinc/71/59/69/417715969.db2.gz YPDIDQZYOYYFEQ-IUODEOHRSA-N 1 3 305.426 0.657 20 0 DCADHO C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1CCN(C3CC3)C1)CCO2 ZINC000645295071 417725954 /nfs/dbraw/zinc/72/59/54/417725954.db2.gz XJBRYSXXWCPIOO-AWEZNQCLSA-N 1 3 322.453 0.729 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)nn1 ZINC000645953152 417830918 /nfs/dbraw/zinc/83/09/18/417830918.db2.gz FLKVGXDSGCOUAW-CYBMUJFWSA-N 1 3 306.414 0.231 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000645953533 417831180 /nfs/dbraw/zinc/83/11/80/417831180.db2.gz YZQFRWSZSCXWCG-CHWSQXEVSA-N 1 3 303.410 0.701 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CCN1 ZINC000646327702 417835261 /nfs/dbraw/zinc/83/52/61/417835261.db2.gz PHBDVUWGTZXODX-CYBMUJFWSA-N 1 3 306.414 0.273 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)CN1C1CC1 ZINC000662539981 417799295 /nfs/dbraw/zinc/79/92/95/417799295.db2.gz QCOWIHZTCDXDSH-NWDGAFQWSA-N 1 3 318.425 0.558 20 0 DCADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662572696 417810644 /nfs/dbraw/zinc/81/06/44/417810644.db2.gz AWPAYDBDGRUHMK-DZGCQCFKSA-N 1 3 322.457 0.911 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000646012274 417847648 /nfs/dbraw/zinc/84/76/48/417847648.db2.gz KRMDCCXYUGFAQD-JALIKCBVSA-N 1 3 307.438 0.792 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662704639 417862470 /nfs/dbraw/zinc/86/24/70/417862470.db2.gz JKJXZYOIKHYNID-CYBMUJFWSA-N 1 3 322.453 0.365 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662704639 417862474 /nfs/dbraw/zinc/86/24/74/417862474.db2.gz JKJXZYOIKHYNID-CYBMUJFWSA-N 1 3 322.453 0.365 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cn1 ZINC000636110073 417872191 /nfs/dbraw/zinc/87/21/91/417872191.db2.gz HOQGBXRDSLRLNX-KBPBESRZSA-N 1 3 307.442 0.903 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCN1C ZINC000662731304 417876521 /nfs/dbraw/zinc/87/65/21/417876521.db2.gz BJAUXPJFGYTHEG-HZSPNIEDSA-N 1 3 320.441 0.805 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000662730542 417878086 /nfs/dbraw/zinc/87/80/86/417878086.db2.gz IMDQYFAECPJHPZ-VNQPRFMTSA-N 1 3 305.422 0.987 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC000662744447 417881032 /nfs/dbraw/zinc/88/10/32/417881032.db2.gz DVFHKEMTIKTGGC-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]1(C)CCN(C)C1=O ZINC000636161713 417887486 /nfs/dbraw/zinc/88/74/86/417887486.db2.gz OKULBKLBWOZKNX-XJKSGUPXSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]1(C)CCN(C)C1=O ZINC000636161713 417887490 /nfs/dbraw/zinc/88/74/90/417887490.db2.gz OKULBKLBWOZKNX-XJKSGUPXSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCN(CCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662754390 417892667 /nfs/dbraw/zinc/89/26/67/417892667.db2.gz MDTPOERAYDTPEY-KRWDZBQOSA-N 1 3 316.449 0.975 20 0 DCADHO C[C@@H]1NCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@H]1C ZINC000662772869 417898660 /nfs/dbraw/zinc/89/86/60/417898660.db2.gz HKBGOIUSKSUMNW-AVGNSLFASA-N 1 3 306.414 0.415 20 0 DCADHO C[C@@H](Cn1cncn1)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000657934698 417918618 /nfs/dbraw/zinc/91/86/18/417918618.db2.gz FDJMRFKEIRNSFK-ZDUSSCGKSA-N 1 3 304.398 0.792 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000652490961 417919300 /nfs/dbraw/zinc/91/93/00/417919300.db2.gz JWKKVUJQBQYSOP-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000652490961 417919307 /nfs/dbraw/zinc/91/93/07/417919307.db2.gz JWKKVUJQBQYSOP-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)nn1 ZINC000662835082 417920858 /nfs/dbraw/zinc/92/08/58/417920858.db2.gz KYDJEGKDDFSKLH-GXTWGEPZSA-N 1 3 306.414 0.374 20 0 DCADHO [NH3+]C1(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000662857347 417929320 /nfs/dbraw/zinc/92/93/20/417929320.db2.gz AIIKPYLSLRPUOK-HNNXBMFYSA-N 1 3 303.406 0.751 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000652612413 417931254 /nfs/dbraw/zinc/93/12/54/417931254.db2.gz RERVUIUPYWOOBT-OKILXGFUSA-N 1 3 320.441 0.908 20 0 DCADHO C[C@H]1CCN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000652612599 417931789 /nfs/dbraw/zinc/93/17/89/417931789.db2.gz WWHRRZGAWXEBKH-QWHCGFSZSA-N 1 3 308.430 0.893 20 0 DCADHO CN(C)CCn1cc(NC(=O)NCCC2=CC[NH2+]CC2)cn1 ZINC000652611951 417932157 /nfs/dbraw/zinc/93/21/57/417932157.db2.gz CDGJFQFJQHZTAW-UHFFFAOYSA-N 1 3 306.414 0.876 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000652612548 417932244 /nfs/dbraw/zinc/93/22/44/417932244.db2.gz VQCGRPPXKFVEGM-BFHYXJOUSA-N 1 3 320.441 0.954 20 0 DCADHO CN(C(=O)c1ccc(CN)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900544 417942492 /nfs/dbraw/zinc/94/24/92/417942492.db2.gz NHNCVEBGHJVVIV-AWEZNQCLSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1ccc(CN)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900544 417942494 /nfs/dbraw/zinc/94/24/94/417942494.db2.gz NHNCVEBGHJVVIV-AWEZNQCLSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1ccc(CN)o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900544 417942499 /nfs/dbraw/zinc/94/24/99/417942499.db2.gz NHNCVEBGHJVVIV-AWEZNQCLSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1coc(CN)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900914 417943614 /nfs/dbraw/zinc/94/36/14/417943614.db2.gz QEKAMEHOBHEVEW-HNNXBMFYSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1coc(CN)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900914 417943616 /nfs/dbraw/zinc/94/36/16/417943616.db2.gz QEKAMEHOBHEVEW-HNNXBMFYSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1coc(CN)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900914 417943618 /nfs/dbraw/zinc/94/36/18/417943618.db2.gz QEKAMEHOBHEVEW-HNNXBMFYSA-N 1 3 320.437 0.979 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000652697798 417947620 /nfs/dbraw/zinc/94/76/20/417947620.db2.gz NMUFSYVIQKBATK-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652701963 417949610 /nfs/dbraw/zinc/94/96/10/417949610.db2.gz MMBRBWDBBZXMOV-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000662924983 417953566 /nfs/dbraw/zinc/95/35/66/417953566.db2.gz CRULPZYSJZFHKX-CYBMUJFWSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714591 417953667 /nfs/dbraw/zinc/95/36/67/417953667.db2.gz NMOXVNYHCXFYLF-OKILXGFUSA-N 1 3 324.469 0.611 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724063 417956499 /nfs/dbraw/zinc/95/64/99/417956499.db2.gz SZBOOEYVPANPJP-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725749 417957700 /nfs/dbraw/zinc/95/77/00/417957700.db2.gz SALDEGXNGFVECH-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000662943155 417958775 /nfs/dbraw/zinc/95/87/75/417958775.db2.gz PAWWSUZFRVPZHR-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1C[NH2+]C[C@H](NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000647549078 418021753 /nfs/dbraw/zinc/02/17/53/418021753.db2.gz HPHHNKSPSYQRDS-DGCLKSJQSA-N 1 3 301.456 0.531 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC000658820079 418026135 /nfs/dbraw/zinc/02/61/35/418026135.db2.gz BWBIKHUBXSTZCJ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(CC)C1 ZINC000658820093 418026201 /nfs/dbraw/zinc/02/62/01/418026201.db2.gz CAXSHARHFNFEOJ-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(CC)C1 ZINC000658820093 418026205 /nfs/dbraw/zinc/02/62/05/418026205.db2.gz CAXSHARHFNFEOJ-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663503539 418026990 /nfs/dbraw/zinc/02/69/90/418026990.db2.gz OPDBKMSAEMSYJF-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663503539 418026995 /nfs/dbraw/zinc/02/69/95/418026995.db2.gz OPDBKMSAEMSYJF-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)CC[C@H](N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000653110109 418028263 /nfs/dbraw/zinc/02/82/63/418028263.db2.gz YBUCUYFXDBEFIP-KRWDZBQOSA-N 1 3 318.465 0.830 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653111751 418028282 /nfs/dbraw/zinc/02/82/82/418028282.db2.gz ZJNSWGBTNCGOJC-CYBMUJFWSA-N 1 3 308.426 0.974 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124592 418032090 /nfs/dbraw/zinc/03/20/90/418032090.db2.gz BFERGTYXNLEXSU-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC000658956843 418041863 /nfs/dbraw/zinc/04/18/63/418041863.db2.gz ATQUYJCCMHBSGW-DGCLKSJQSA-N 1 3 302.440 0.658 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(=O)N(C)C ZINC000663690770 418048387 /nfs/dbraw/zinc/04/83/87/418048387.db2.gz XRGRZCREBVRBDL-QWHCGFSZSA-N 1 3 315.462 0.034 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(=O)N(C)C ZINC000663690770 418048391 /nfs/dbraw/zinc/04/83/91/418048391.db2.gz XRGRZCREBVRBDL-QWHCGFSZSA-N 1 3 315.462 0.034 20 0 DCADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)COCC[NH3+])cc1 ZINC000648169570 418112194 /nfs/dbraw/zinc/11/21/94/418112194.db2.gz YEHKABSLAFUZKE-MRXNPFEDSA-N 1 3 321.421 0.924 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000648199087 418116795 /nfs/dbraw/zinc/11/67/95/418116795.db2.gz NLVWGFISXNGGMM-HOCLYGCPSA-N 1 3 318.421 0.171 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659555458 418117670 /nfs/dbraw/zinc/11/76/70/418117670.db2.gz QLMHIQFVLCGYQZ-HUUCEWRRSA-N 1 3 310.442 0.396 20 0 DCADHO C[NH+]1CCC(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000664002250 418073485 /nfs/dbraw/zinc/07/34/85/418073485.db2.gz FKTMNSZUIGSBAK-INIZCTEOSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664003330 418073931 /nfs/dbraw/zinc/07/39/31/418073931.db2.gz QBXDNROATNRQMX-ILXRZTDVSA-N 1 3 312.458 0.423 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664003330 418073933 /nfs/dbraw/zinc/07/39/33/418073933.db2.gz QBXDNROATNRQMX-ILXRZTDVSA-N 1 3 312.458 0.423 20 0 DCADHO CN1CCN(C(=O)CCN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647904245 418074001 /nfs/dbraw/zinc/07/40/01/418074001.db2.gz ZPMBNYMBMHAVMY-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659479640 418103088 /nfs/dbraw/zinc/10/30/88/418103088.db2.gz AIAKLUUCXCHKMK-CHWSQXEVSA-N 1 3 304.410 0.426 20 0 DCADHO CN1CCN(CCNC(=O)N2CC3CC2(C[NH3+])C3)CC1(C)C ZINC000659490773 418104279 /nfs/dbraw/zinc/10/42/79/418104279.db2.gz HEXYYKGUJPOFNG-UHFFFAOYSA-N 1 3 309.458 0.145 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000653766687 418106362 /nfs/dbraw/zinc/10/63/62/418106362.db2.gz QKPGMPXBSYLSFT-HNNXBMFYSA-N 1 3 301.475 0.732 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659609075 418125980 /nfs/dbraw/zinc/12/59/80/418125980.db2.gz RUNSSKKNKKJYPV-WBVHZDCISA-N 1 3 322.453 0.635 20 0 DCADHO CCCN(CCC[NH+](C)C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659631470 418133253 /nfs/dbraw/zinc/13/32/53/418133253.db2.gz WFYNIRUUQOEGFP-UHFFFAOYSA-N 1 3 324.429 0.514 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631792 418133392 /nfs/dbraw/zinc/13/33/92/418133392.db2.gz GOOIVHIHRCPELG-GFCCVEGCSA-N 1 3 322.413 0.267 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000659634481 418133812 /nfs/dbraw/zinc/13/38/12/418133812.db2.gz ASTDFIONJATAND-ILXRZTDVSA-N 1 3 311.474 0.262 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+]1CCC[C@H](C)C1 ZINC000654373357 418137071 /nfs/dbraw/zinc/13/70/71/418137071.db2.gz ACFYUIRAJWZRLL-YHUYYLMFSA-N 1 3 324.469 0.567 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+]1CCC[C@H](C)C1 ZINC000654373357 418137074 /nfs/dbraw/zinc/13/70/74/418137074.db2.gz ACFYUIRAJWZRLL-YHUYYLMFSA-N 1 3 324.469 0.567 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+]1CCCC[C@@H]1C ZINC000654373403 418137251 /nfs/dbraw/zinc/13/72/51/418137251.db2.gz BIYBMZPWGMQKFT-YHUYYLMFSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+]1CCCC[C@@H]1C ZINC000654373403 418137253 /nfs/dbraw/zinc/13/72/53/418137253.db2.gz BIYBMZPWGMQKFT-YHUYYLMFSA-N 1 3 324.469 0.710 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654733008 418179831 /nfs/dbraw/zinc/17/98/31/418179831.db2.gz LKBHKJJYAUXFKG-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654733008 418179834 /nfs/dbraw/zinc/17/98/34/418179834.db2.gz LKBHKJJYAUXFKG-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659689816 418148931 /nfs/dbraw/zinc/14/89/31/418148931.db2.gz AJLMINYTKBWMSU-UHFFFAOYSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)C1CC[NH+](C)CC1 ZINC000659697530 418150690 /nfs/dbraw/zinc/15/06/90/418150690.db2.gz XLKQTECDUHLZID-NFAWXSAZSA-N 1 3 324.469 0.419 20 0 DCADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN ZINC000659708230 418155017 /nfs/dbraw/zinc/15/50/17/418155017.db2.gz QAXISMBCRHNTAR-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654541368 418158679 /nfs/dbraw/zinc/15/86/79/418158679.db2.gz JEUXRWBMPVYFDW-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000659716191 418159040 /nfs/dbraw/zinc/15/90/40/418159040.db2.gz URJCAAQPFIIGBT-MJBXVCDLSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000659714973 418159140 /nfs/dbraw/zinc/15/91/40/418159140.db2.gz OGRYIUSHXCJDRD-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659718219 418160454 /nfs/dbraw/zinc/16/04/54/418160454.db2.gz MSGWASBUJAZGJB-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000648831430 418162834 /nfs/dbraw/zinc/16/28/34/418162834.db2.gz YLQNTZKSQCBAEJ-RBSFLKMASA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000648831430 418162836 /nfs/dbraw/zinc/16/28/36/418162836.db2.gz YLQNTZKSQCBAEJ-RBSFLKMASA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H](CN)C1 ZINC000659726282 418164970 /nfs/dbraw/zinc/16/49/70/418164970.db2.gz IVJNXIHVYSDWCY-MQYQWHSLSA-N 1 3 310.442 0.029 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000659728572 418166580 /nfs/dbraw/zinc/16/65/80/418166580.db2.gz WJIDHRJOWOFUFP-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659738010 418170484 /nfs/dbraw/zinc/17/04/84/418170484.db2.gz XQBCQWWGWKEHPG-STQMWFEESA-N 1 3 308.426 0.069 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000659741053 418172454 /nfs/dbraw/zinc/17/24/54/418172454.db2.gz KCBOYTWOLCZIKI-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659743689 418173476 /nfs/dbraw/zinc/17/34/76/418173476.db2.gz ZNTOLUWLCWNXJA-CBCUQQMYSA-N 1 3 322.453 0.173 20 0 DCADHO COC1CCN(CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649343347 418244494 /nfs/dbraw/zinc/24/44/94/418244494.db2.gz ZUIRZWAYYHPVMT-LBPRGKRZSA-N 1 3 305.369 0.458 20 0 DCADHO O=C(CN(C1CC1)C1CC[NH2+]CC1)NC1CCN(C2CC2)CC1 ZINC000649408882 418252597 /nfs/dbraw/zinc/25/25/97/418252597.db2.gz BQBRHMWUZSYTMG-UHFFFAOYSA-N 1 3 320.481 0.946 20 0 DCADHO O=C(CN1CCNC[C@H]1C(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000649417605 418253254 /nfs/dbraw/zinc/25/32/54/418253254.db2.gz UQVJSHQMQBDOFD-ZDUSSCGKSA-N 1 3 316.396 0.268 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000649234742 418213463 /nfs/dbraw/zinc/21/34/63/418213463.db2.gz OEMXSXXJIBUPHO-HUUCEWRRSA-N 1 3 324.469 0.829 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000649234742 418213465 /nfs/dbraw/zinc/21/34/65/418213465.db2.gz OEMXSXXJIBUPHO-HUUCEWRRSA-N 1 3 324.469 0.829 20 0 DCADHO CCN1CCC(n2nccc2NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649281813 418221429 /nfs/dbraw/zinc/22/14/29/418221429.db2.gz DERHPXQWQUOPTE-NHAGDIPZSA-N 1 3 303.410 0.944 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c2ncnn21 ZINC000665602383 418225730 /nfs/dbraw/zinc/22/57/30/418225730.db2.gz PFCXMHLECWUJEW-OLZOCXBDSA-N 1 3 323.445 0.419 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C)C1 ZINC000665637779 418228538 /nfs/dbraw/zinc/22/85/38/418228538.db2.gz ONNKANQIMTZAFU-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C)C1 ZINC000665637779 418228541 /nfs/dbraw/zinc/22/85/41/418228541.db2.gz ONNKANQIMTZAFU-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC(C)(C)[NH3+] ZINC000649318503 418235311 /nfs/dbraw/zinc/23/53/11/418235311.db2.gz QBFPBYSOICILMU-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000656024588 418319521 /nfs/dbraw/zinc/31/95/21/418319521.db2.gz NBMWSERIQQOBNH-RBSFLKMASA-N 1 3 322.453 0.378 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656025461 418320555 /nfs/dbraw/zinc/32/05/55/418320555.db2.gz KRZJYVSCEVUJOD-HUUCEWRRSA-N 1 3 320.437 0.155 20 0 DCADHO CN(C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000656028251 418321002 /nfs/dbraw/zinc/32/10/02/418321002.db2.gz JKCIHPSPABKTEH-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1CN ZINC000656042885 418322233 /nfs/dbraw/zinc/32/22/33/418322233.db2.gz WMWDKBWFVIKOBR-IGQOVBAYSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000660589440 418273494 /nfs/dbraw/zinc/27/34/94/418273494.db2.gz JBHQODSDZGCRNA-NVXWUHKLSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000660589440 418273495 /nfs/dbraw/zinc/27/34/95/418273495.db2.gz JBHQODSDZGCRNA-NVXWUHKLSA-N 1 3 313.486 0.873 20 0 DCADHO CO[C@]1(CO)CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000661391530 418336182 /nfs/dbraw/zinc/33/61/82/418336182.db2.gz HIPUQCAEXQNBJI-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO CO[C@]1(CO)CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000661391530 418336185 /nfs/dbraw/zinc/33/61/85/418336185.db2.gz HIPUQCAEXQNBJI-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1ccc2c(c1)OCO2 ZINC000662287381 418396718 /nfs/dbraw/zinc/39/67/18/418396718.db2.gz ZEGONBWWFNHJTF-UHFFFAOYSA-N 1 3 321.377 0.448 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662403277 418407411 /nfs/dbraw/zinc/40/74/11/418407411.db2.gz CWINAJZMQUBLCH-ZDUSSCGKSA-N 1 3 316.405 0.217 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294436 418399384 /nfs/dbraw/zinc/39/93/84/418399384.db2.gz WCCIBUDIQMWDSP-HNNXBMFYSA-N 1 3 317.499 0.980 20 0 DCADHO CN(C)CCOCCNC(=O)NCCC[NH+]1CCCCC1 ZINC000471642089 287518275 /nfs/dbraw/zinc/51/82/75/287518275.db2.gz AGCAAMGQAVRQLO-UHFFFAOYSA-N 1 3 300.447 0.740 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000187205583 261123061 /nfs/dbraw/zinc/12/30/61/261123061.db2.gz ZHJAECMXJPJDEC-LSDHHAIUSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000187205583 261123063 /nfs/dbraw/zinc/12/30/63/261123063.db2.gz ZHJAECMXJPJDEC-LSDHHAIUSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000187349199 261124101 /nfs/dbraw/zinc/12/41/01/261124101.db2.gz QSFWMMRATWBVGV-KGLIPLIRSA-N 1 3 300.447 0.473 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000187360101 261124212 /nfs/dbraw/zinc/12/42/12/261124212.db2.gz QXNHPOLLOZMBMO-HNNXBMFYSA-N 1 3 314.474 0.578 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000187360101 261124213 /nfs/dbraw/zinc/12/42/13/261124213.db2.gz QXNHPOLLOZMBMO-HNNXBMFYSA-N 1 3 314.474 0.578 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C2CCCC2)CC1 ZINC000354684413 261258746 /nfs/dbraw/zinc/25/87/46/261258746.db2.gz DJAOXZYSVNCFCU-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@H](C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)N(C)C ZINC000354985623 261293936 /nfs/dbraw/zinc/29/39/36/261293936.db2.gz RUAJJROFBNQGJY-GDBMZVCRSA-N 1 3 310.486 0.954 20 0 DCADHO CCOC(=O)[C@](C)(O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000355071052 261303717 /nfs/dbraw/zinc/30/37/17/261303717.db2.gz BEXAMUCUPVDJNJ-MRXNPFEDSA-N 1 3 315.458 0.258 20 0 DCADHO CCOC(=O)[C@](C)(O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000355071052 261303719 /nfs/dbraw/zinc/30/37/19/261303719.db2.gz BEXAMUCUPVDJNJ-MRXNPFEDSA-N 1 3 315.458 0.258 20 0 DCADHO COCCN(C)CCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000355750145 261362889 /nfs/dbraw/zinc/36/28/89/261362889.db2.gz YZMHSXXJUPRQBM-UHFFFAOYSA-N 1 3 300.447 0.692 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN(C)CCCOC)C1 ZINC000362348896 262024626 /nfs/dbraw/zinc/02/46/26/262024626.db2.gz OOJPTLUJIBISMJ-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN(C)CCCOC)C1 ZINC000362348896 262024628 /nfs/dbraw/zinc/02/46/28/262024628.db2.gz OOJPTLUJIBISMJ-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000362970191 262090708 /nfs/dbraw/zinc/09/07/08/262090708.db2.gz IWIYNPDVLOPXIN-KKUMJFAQSA-N 1 3 312.458 0.879 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000362970191 262090709 /nfs/dbraw/zinc/09/07/09/262090709.db2.gz IWIYNPDVLOPXIN-KKUMJFAQSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000362969240 262090837 /nfs/dbraw/zinc/09/08/37/262090837.db2.gz JWDVVMQTNYIFJN-GXTWGEPZSA-N 1 3 306.410 0.546 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000362969240 262090840 /nfs/dbraw/zinc/09/08/40/262090840.db2.gz JWDVVMQTNYIFJN-GXTWGEPZSA-N 1 3 306.410 0.546 20 0 DCADHO CN(C)[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000416796951 262240279 /nfs/dbraw/zinc/24/02/79/262240279.db2.gz AJMSBTAJNHJLDQ-INIZCTEOSA-N 1 3 319.453 0.494 20 0 DCADHO COCCN(C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000417087328 262245385 /nfs/dbraw/zinc/24/53/85/262245385.db2.gz FEELODNJDFAVRX-RRFJBIMHSA-N 1 3 312.458 0.724 20 0 DCADHO COCCN(C)CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417087330 262245776 /nfs/dbraw/zinc/24/57/76/262245776.db2.gz FEELODNJDFAVRX-ZNMIVQPWSA-N 1 3 312.458 0.724 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417098670 262246355 /nfs/dbraw/zinc/24/63/55/262246355.db2.gz YVIAUTYYFMJHMA-KGLIPLIRSA-N 1 3 300.447 0.581 20 0 DCADHO CN(CCNC(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000417235078 262248344 /nfs/dbraw/zinc/24/83/44/262248344.db2.gz XMMSAWFSVVPKFA-UHFFFAOYSA-N 1 3 319.453 0.323 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417434711 262251515 /nfs/dbraw/zinc/25/15/15/262251515.db2.gz AGWBTTPSFUMDHF-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417584652 262255695 /nfs/dbraw/zinc/25/56/95/262255695.db2.gz NKVHMERGIHZPFV-HOCLYGCPSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H](CNC(=O)N(CC[NH3+])CCO)N(C)Cc1ccccc1 ZINC000417575261 262255737 /nfs/dbraw/zinc/25/57/37/262255737.db2.gz FKGZNBQBPQHIEW-AWEZNQCLSA-N 1 3 308.426 0.470 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417744006 262259888 /nfs/dbraw/zinc/25/98/88/262259888.db2.gz CIMCGVSPXAAYNS-SOUVJXGZSA-N 1 3 312.458 0.642 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000417761843 262261068 /nfs/dbraw/zinc/26/10/68/262261068.db2.gz ZMDBHHJKZAHONH-LSDHHAIUSA-N 1 3 313.490 0.415 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417941580 262265819 /nfs/dbraw/zinc/26/58/19/262265819.db2.gz ASNZZRGZOCBRPA-CQSZACIVSA-N 1 3 323.441 0.805 20 0 DCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418114064 262269893 /nfs/dbraw/zinc/26/98/93/262269893.db2.gz KYULUZJGYGAXOX-RRFJBIMHSA-N 1 3 312.458 0.866 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418162200 262271563 /nfs/dbraw/zinc/27/15/63/262271563.db2.gz FPQDXYYTBVDTBH-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418190841 262272106 /nfs/dbraw/zinc/27/21/06/262272106.db2.gz JUKNMSIKAHTUSI-CQSZACIVSA-N 1 3 321.425 0.573 20 0 DCADHO COCCNCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000418483424 262279220 /nfs/dbraw/zinc/27/92/20/262279220.db2.gz CGBRQCSHZAUEDR-HNNXBMFYSA-N 1 3 312.458 0.596 20 0 DCADHO COCCNCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000418483424 262279221 /nfs/dbraw/zinc/27/92/21/262279221.db2.gz CGBRQCSHZAUEDR-HNNXBMFYSA-N 1 3 312.458 0.596 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418500814 262279844 /nfs/dbraw/zinc/27/98/44/262279844.db2.gz ZLCDJMPXCXZFNF-PBHICJAKSA-N 1 3 320.437 0.517 20 0 DCADHO C[C@]1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCC[NH2+]C1 ZINC000418546212 262282299 /nfs/dbraw/zinc/28/22/99/262282299.db2.gz QKVJTQHMQFMYAX-HOCLYGCPSA-N 1 3 312.458 0.522 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418588588 262283442 /nfs/dbraw/zinc/28/34/42/262283442.db2.gz HYXOOJFAQFRPEA-RBSFLKMASA-N 1 3 312.458 0.376 20 0 DCADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H]1CCCN1CCCO ZINC000418744583 262286907 /nfs/dbraw/zinc/28/69/07/262286907.db2.gz FHZZYUSZQMWLQX-HUUCEWRRSA-N 1 3 312.458 0.665 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418828541 262291378 /nfs/dbraw/zinc/29/13/78/262291378.db2.gz FWLUXCWTZOPCDG-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418828540 262291743 /nfs/dbraw/zinc/29/17/43/262291743.db2.gz FWLUXCWTZOPCDG-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418932846 262299594 /nfs/dbraw/zinc/29/95/94/262299594.db2.gz HXOOKVDJGUUOSO-CJNGLKHVSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419017672 262305431 /nfs/dbraw/zinc/30/54/31/262305431.db2.gz BFTXCLNTMUGDFJ-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419017676 262305667 /nfs/dbraw/zinc/30/56/67/262305667.db2.gz BFXHTSIQVTZEPS-MQYQWHSLSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419079521 262307258 /nfs/dbraw/zinc/30/72/58/262307258.db2.gz NACIYGCNXJJKOO-QLFBSQMISA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419153320 262313692 /nfs/dbraw/zinc/31/36/92/262313692.db2.gz PIEQXINXYWPZGX-JSGCOSHPSA-N 1 3 306.410 0.259 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000419154660 262314138 /nfs/dbraw/zinc/31/41/38/262314138.db2.gz QGDKWXSTBZKCCB-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000419154660 262314139 /nfs/dbraw/zinc/31/41/39/262314139.db2.gz QGDKWXSTBZKCCB-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000419163444 262315048 /nfs/dbraw/zinc/31/50/48/262315048.db2.gz WLMYPZKVIHMSJN-QLFBSQMISA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419172015 262316522 /nfs/dbraw/zinc/31/65/22/262316522.db2.gz QGOZWQZKDYUULT-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C ZINC000419171808 262316569 /nfs/dbraw/zinc/31/65/69/262316569.db2.gz PRXQMDHOUGADBJ-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419220658 262320669 /nfs/dbraw/zinc/32/06/69/262320669.db2.gz BSGJZKBDOVSLEU-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419230099 262320839 /nfs/dbraw/zinc/32/08/39/262320839.db2.gz PLXYBZXWKFUSJR-GJZGRUSLSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000419408501 262331170 /nfs/dbraw/zinc/33/11/70/262331170.db2.gz LXTCWDRUUAIKCL-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000419409684 262331319 /nfs/dbraw/zinc/33/13/19/262331319.db2.gz NORSXKPJFIOTHS-UHFFFAOYSA-N 1 3 322.453 0.261 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000419412494 262331666 /nfs/dbraw/zinc/33/16/66/262331666.db2.gz QXWIYMPZTSWPIM-GJZGRUSLSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419418655 262331980 /nfs/dbraw/zinc/33/19/80/262331980.db2.gz IPZQPHCVFYPTSH-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419422872 262332353 /nfs/dbraw/zinc/33/23/53/262332353.db2.gz MWEIASWIEDEXKO-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419422196 262332687 /nfs/dbraw/zinc/33/26/87/262332687.db2.gz MBXFUAGLPIJDPX-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419426250 262332938 /nfs/dbraw/zinc/33/29/38/262332938.db2.gz QOFQPVKONJZKMA-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419427601 262333016 /nfs/dbraw/zinc/33/30/16/262333016.db2.gz RWGPKMPVSJUQDN-ZFWWWQNUSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H](C)CN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000419424891 262333110 /nfs/dbraw/zinc/33/31/10/262333110.db2.gz PAAGYUQCHHFATJ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419428999 262333222 /nfs/dbraw/zinc/33/32/22/262333222.db2.gz UGOBTAYODQWZAS-PBHICJAKSA-N 1 3 324.469 0.483 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419553182 262337765 /nfs/dbraw/zinc/33/77/65/262337765.db2.gz YINLDRUKWMBDSE-QWHCGFSZSA-N 1 3 314.474 0.713 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419695048 262346512 /nfs/dbraw/zinc/34/65/12/262346512.db2.gz LWOLCYFAYNMHGJ-DZGCQCFKSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCC[C@@H](C)C1 ZINC000419875974 262351079 /nfs/dbraw/zinc/35/10/79/262351079.db2.gz WZMLCJYRWMPFIH-MBNYWOFBSA-N 1 3 310.442 0.077 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420087155 262360226 /nfs/dbraw/zinc/36/02/26/262360226.db2.gz PKGNKEPWSBKOOM-UONOGXRCSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000420099153 262360751 /nfs/dbraw/zinc/36/07/51/262360751.db2.gz JUBHBYYHNRHANV-YOEHRIQHSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420113422 262361556 /nfs/dbraw/zinc/36/15/56/262361556.db2.gz CESGNNCTJQJULE-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1[NH3+] ZINC000420366682 262371753 /nfs/dbraw/zinc/37/17/53/262371753.db2.gz JNXPXANSXATEDA-FVQBIDKESA-N 1 3 304.438 0.685 20 0 DCADHO Cc1ccc(S(=O)(=O)NCCN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422939121 262424034 /nfs/dbraw/zinc/42/40/34/262424034.db2.gz QUIMZRKEFSMEMB-HIFRSBDPSA-N 1 3 311.451 0.990 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000423740279 262458446 /nfs/dbraw/zinc/45/84/46/262458446.db2.gz SBCJFNYZLHXGRP-HIFRSBDPSA-N 1 3 324.469 0.561 20 0 DCADHO COC[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](COC)C3)COC2)C1 ZINC000360028300 271159385 /nfs/dbraw/zinc/15/93/85/271159385.db2.gz SRCNDHMELRTLMH-IYBDPMFKSA-N 1 3 312.454 0.940 20 0 DCADHO COC[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](COC)C3)COC2)C1 ZINC000360028300 271159388 /nfs/dbraw/zinc/15/93/88/271159388.db2.gz SRCNDHMELRTLMH-IYBDPMFKSA-N 1 3 312.454 0.940 20 0 DCADHO COC[C@@H]1CC[N@@H+](CC2(CN3CC[C@H](COC)C3)COC2)C1 ZINC000360028300 271159392 /nfs/dbraw/zinc/15/93/92/271159392.db2.gz SRCNDHMELRTLMH-IYBDPMFKSA-N 1 3 312.454 0.940 20 0 DCADHO COC[C@@H]1CC[N@H+](CC2(CN3CC[C@H](COC)C3)COC2)C1 ZINC000360028300 271159397 /nfs/dbraw/zinc/15/93/97/271159397.db2.gz SRCNDHMELRTLMH-IYBDPMFKSA-N 1 3 312.454 0.940 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000418722274 271252113 /nfs/dbraw/zinc/25/21/13/271252113.db2.gz MQTQISRCDKHAON-KFWWJZLASA-N 1 3 312.458 0.650 20 0 DCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418731460 271253774 /nfs/dbraw/zinc/25/37/74/271253774.db2.gz SVXUWBUHXKCYCE-IHRRRGAJSA-N 1 3 311.474 0.532 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000418843613 271258706 /nfs/dbraw/zinc/25/87/06/271258706.db2.gz SADSXDYXKYCISZ-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418846181 271259208 /nfs/dbraw/zinc/25/92/08/271259208.db2.gz XIRFMVILVGDDMQ-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000418876120 271260454 /nfs/dbraw/zinc/26/04/54/271260454.db2.gz YIEPEJWJKBQWRE-AWEZNQCLSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419026831 271265715 /nfs/dbraw/zinc/26/57/15/271265715.db2.gz OABMAQXCWHPSCV-KBPBESRZSA-N 1 3 322.453 0.259 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419137684 271274010 /nfs/dbraw/zinc/27/40/10/271274010.db2.gz PKHAAGXSAZEAKZ-BFHYXJOUSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000419246422 271278394 /nfs/dbraw/zinc/27/83/94/271278394.db2.gz WHKNNTTVWGROTD-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000419247550 271278695 /nfs/dbraw/zinc/27/86/95/271278695.db2.gz XFFCYXYZQRDADQ-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000419401106 271289136 /nfs/dbraw/zinc/28/91/36/271289136.db2.gz ANZZTCLAJJQEAI-RDBSUJKOSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000419578477 271309160 /nfs/dbraw/zinc/30/91/60/271309160.db2.gz DVTKQEMEVBJQPQ-RWMBFGLXSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419703872 271322381 /nfs/dbraw/zinc/32/23/81/271322381.db2.gz XBKUERUXVLIYGW-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CN)C[NH+]1CCCC1 ZINC000419830540 271331162 /nfs/dbraw/zinc/33/11/62/271331162.db2.gz QLKPKAAXASFVAP-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000422773050 271384020 /nfs/dbraw/zinc/38/40/20/271384020.db2.gz XXVYBJPNQZFGIF-LSDHHAIUSA-N 1 3 324.469 0.598 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000415089653 274944277 /nfs/dbraw/zinc/94/42/77/274944277.db2.gz ZDBXHFLIIZOKFD-DZGCQCFKSA-N 1 3 303.406 0.777 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000345098557 276246735 /nfs/dbraw/zinc/24/67/35/276246735.db2.gz NWIHTBIZVLOEOH-JKSUJKDBSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000545251210 287991008 /nfs/dbraw/zinc/99/10/08/287991008.db2.gz VVUASCAKXDNXJB-ZIAGYGMSSA-N 1 3 300.447 0.546 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000545884302 288003713 /nfs/dbraw/zinc/00/37/13/288003713.db2.gz DBSABUASVAWBPJ-MRXNPFEDSA-N 1 3 310.442 0.227 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000418554489 278547454 /nfs/dbraw/zinc/54/74/54/278547454.db2.gz IHTQYAOSVSGJJA-ZNMIVQPWSA-N 1 3 312.458 0.519 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000419501396 279191035 /nfs/dbraw/zinc/19/10/35/279191035.db2.gz BGHLILRIPVFXPX-MRXNPFEDSA-N 1 3 310.442 0.093 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCCNCC2)CC1=O ZINC000178357077 279330833 /nfs/dbraw/zinc/33/08/33/279330833.db2.gz SVYREURKAQYYJC-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCCNCC2)CC1=O ZINC000178357077 279330835 /nfs/dbraw/zinc/33/08/35/279330835.db2.gz SVYREURKAQYYJC-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1C[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1C ZINC000548485261 288147792 /nfs/dbraw/zinc/14/77/92/288147792.db2.gz HZHOYHJKCDVZON-CHWSQXEVSA-N 1 3 308.426 0.923 20 0 DCADHO C[C@@H]1C[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000548485261 288147794 /nfs/dbraw/zinc/14/77/94/288147794.db2.gz HZHOYHJKCDVZON-CHWSQXEVSA-N 1 3 308.426 0.923 20 0 DCADHO CC(C)[C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)N1CCN(C)CC1 ZINC000416958275 280246360 /nfs/dbraw/zinc/24/63/60/280246360.db2.gz OXNIZOUXFQWDNP-CABCVRRESA-N 1 3 313.490 0.541 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000332567736 288300756 /nfs/dbraw/zinc/30/07/56/288300756.db2.gz VBKLFASVVQJOHM-ZOBORPQBSA-N 1 3 308.426 0.068 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000332567733 288300776 /nfs/dbraw/zinc/30/07/76/288300776.db2.gz VBKLFASVVQJOHM-AAVRWANBSA-N 1 3 308.426 0.068 20 0 DCADHO NC[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564935201 288791985 /nfs/dbraw/zinc/79/19/85/288791985.db2.gz QRCVIEVDRVJIEV-GDBMZVCRSA-N 1 3 318.421 0.633 20 0 DCADHO COc1cncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000565779257 288877729 /nfs/dbraw/zinc/87/77/29/288877729.db2.gz VOYVSSIZWQFOCB-UHFFFAOYSA-N 1 3 310.402 0.442 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332067750 295244530 /nfs/dbraw/zinc/24/45/30/295244530.db2.gz SSKAJNNZIFRCOZ-MJBXVCDLSA-N 1 3 308.426 0.069 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332067750 295244531 /nfs/dbraw/zinc/24/45/31/295244531.db2.gz SSKAJNNZIFRCOZ-MJBXVCDLSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418832325 300489632 /nfs/dbraw/zinc/48/96/32/300489632.db2.gz JYRREMLMUKPVIR-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO O=C(NC1CCN(CCN2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000584292479 332220919 /nfs/dbraw/zinc/22/09/19/332220919.db2.gz ZUBOHTJTXFLZCU-UHFFFAOYSA-N 1 3 316.449 0.786 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000580332358 333308862 /nfs/dbraw/zinc/30/88/62/333308862.db2.gz PWZFBADHUVVXMI-HIFRSBDPSA-N 1 3 305.426 0.879 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000583148650 337246371 /nfs/dbraw/zinc/24/63/71/337246371.db2.gz KDQZUINCFNRCMO-GASCZTMLSA-N 1 3 318.421 0.332 20 0 DCADHO CC[C@H](C)N(C)CC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000584585731 337369237 /nfs/dbraw/zinc/36/92/37/337369237.db2.gz UGYUIMAKAAJGSS-JONQDZQNSA-N 1 3 301.475 0.776 20 0 DCADHO CS(=O)(=O)N1CC(CN2C[C@H]3CCCC[C@]3(C[NH3+])C2)C1 ZINC001579342179 1159271421 /nfs/dbraw/zinc/27/14/21/1159271421.db2.gz IZZKXTDCUSEMMT-KGLIPLIRSA-N 1 3 301.456 0.329 20 0 DCADHO Cc1cc(NC(=O)C(=O)N(C)CCC[NH3+])ccc1CN(C)C ZINC000576011182 341820050 /nfs/dbraw/zinc/82/00/50/341820050.db2.gz OKOMHWFIFRWJRA-UHFFFAOYSA-N 1 3 306.410 0.802 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)C2)nn1 ZINC000576823272 341864908 /nfs/dbraw/zinc/86/49/08/341864908.db2.gz VHNQAQXOVYHFLV-IVMMDQJWSA-N 1 3 318.425 0.290 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567575879 1160426954 /nfs/dbraw/zinc/42/69/54/1160426954.db2.gz MSWKSUISKGNJMS-UHFFFAOYSA-N 1 3 306.410 0.156 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(N)=O ZINC001568970225 1160904337 /nfs/dbraw/zinc/90/43/37/1160904337.db2.gz VPZPBIWOIGIASL-AGKLADILSA-N 1 3 310.442 0.387 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(N)=O ZINC001568970225 1160904343 /nfs/dbraw/zinc/90/43/43/1160904343.db2.gz VPZPBIWOIGIASL-AGKLADILSA-N 1 3 310.442 0.387 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N(CCO)CCNC/C=C/Cl ZINC001569932743 1161328944 /nfs/dbraw/zinc/32/89/44/1161328944.db2.gz AYCSENFFEVLFOO-ZJHLSUJBSA-N 1 3 315.845 0.491 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000237215066 523909551 /nfs/dbraw/zinc/90/95/51/523909551.db2.gz ZRYIQCCVHPNBBI-QGZVFWFLSA-N 1 3 316.449 0.660 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000331716281 528975307 /nfs/dbraw/zinc/97/53/07/528975307.db2.gz OIRBAEQNLCVYAT-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000331716281 528975309 /nfs/dbraw/zinc/97/53/09/528975309.db2.gz OIRBAEQNLCVYAT-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420084477 535866170 /nfs/dbraw/zinc/86/61/70/535866170.db2.gz AAGCFFBMPHTBMV-UHFFFAOYSA-N 1 3 322.409 0.167 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(CCO)CC1 ZINC000665762390 546396541 /nfs/dbraw/zinc/39/65/41/546396541.db2.gz CILSGRJHJVCCIK-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(CCO)CC1 ZINC000665762390 546396543 /nfs/dbraw/zinc/39/65/43/546396543.db2.gz CILSGRJHJVCCIK-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)[NH+](C)C ZINC000666979070 546540003 /nfs/dbraw/zinc/54/00/03/546540003.db2.gz LKYPXAGCRFJTFA-DZGCQCFKSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667156064 546563646 /nfs/dbraw/zinc/56/36/46/546563646.db2.gz OIGOQFPYXIOOHG-DGCLKSJQSA-N 1 3 324.429 0.679 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000668397881 546753874 /nfs/dbraw/zinc/75/38/74/546753874.db2.gz QTDKDLUEBNMPHN-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000668420823 546757163 /nfs/dbraw/zinc/75/71/63/546757163.db2.gz MMJAQURCMFTWOI-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000668933606 546885818 /nfs/dbraw/zinc/88/58/18/546885818.db2.gz IPUHOZUXICEKHR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CCO1 ZINC000669406213 546967869 /nfs/dbraw/zinc/96/78/69/546967869.db2.gz UUHUDNSFBRQUEW-GOEBONIOSA-N 1 3 320.437 0.876 20 0 DCADHO CN(C)C1(CNC(=O)NCC2C[NH2+]C2)Cc2ccccc2C1 ZINC000669496437 546980597 /nfs/dbraw/zinc/98/05/97/546980597.db2.gz PAWJLHRXTSVLLG-UHFFFAOYSA-N 1 3 302.422 0.604 20 0 DCADHO COC[C@]1(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)CCC[NH2+]1 ZINC000669555717 546991059 /nfs/dbraw/zinc/99/10/59/546991059.db2.gz BOXAAQVRWCQTJB-XJKSGUPXSA-N 1 3 310.442 0.705 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCO1 ZINC000669573484 546993605 /nfs/dbraw/zinc/99/36/05/546993605.db2.gz VVMXWPOJDGANIY-BFHYXJOUSA-N 1 3 312.458 0.864 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671365606 547196531 /nfs/dbraw/zinc/19/65/31/547196531.db2.gz CKZNNPHDMFZQCR-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000671418976 547207571 /nfs/dbraw/zinc/20/75/71/547207571.db2.gz MPKDUAUUDJAUPC-CYBMUJFWSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672010594 547311800 /nfs/dbraw/zinc/31/18/00/547311800.db2.gz NYQGOMQTKDCANO-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)N(C)C1CC1 ZINC000672014549 547313106 /nfs/dbraw/zinc/31/31/06/547313106.db2.gz VNBSYZOVUANTDD-STQMWFEESA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000674287773 547576524 /nfs/dbraw/zinc/57/65/24/547576524.db2.gz CDBDJNOVAMRZPV-HNNXBMFYSA-N 1 3 319.453 0.660 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000674329745 547581844 /nfs/dbraw/zinc/58/18/44/547581844.db2.gz MLQBTGORCTVMON-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000674329745 547581848 /nfs/dbraw/zinc/58/18/48/547581848.db2.gz MLQBTGORCTVMON-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000681562525 548263882 /nfs/dbraw/zinc/26/38/82/548263882.db2.gz VNYSPFPVGRSMEP-ZDUSSCGKSA-N 1 3 308.430 0.860 20 0 DCADHO Cc1nc(N2CC([NH+](C)C)C2)nc(N2CC(N(C)C)C2)c1F ZINC000681803257 548296740 /nfs/dbraw/zinc/29/67/40/548296740.db2.gz JSLVSVKIKLLQTA-UHFFFAOYSA-N 1 3 308.405 0.425 20 0 DCADHO Cc1nc(N2CC(N(C)C)C2)nc(N2CC([NH+](C)C)C2)c1F ZINC000681803257 548296745 /nfs/dbraw/zinc/29/67/45/548296745.db2.gz JSLVSVKIKLLQTA-UHFFFAOYSA-N 1 3 308.405 0.425 20 0 DCADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000683227238 548459201 /nfs/dbraw/zinc/45/92/01/548459201.db2.gz PLWNJIWTHWXXME-PMPSAXMXSA-N 1 3 300.443 0.959 20 0 DCADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000683227238 548459202 /nfs/dbraw/zinc/45/92/02/548459202.db2.gz PLWNJIWTHWXXME-PMPSAXMXSA-N 1 3 300.443 0.959 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)N[C@H]2CCCN(C)C2)CCCO1 ZINC000683374864 548475352 /nfs/dbraw/zinc/47/53/52/548475352.db2.gz TXYCJKJRIQZYDV-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCCN(C)C2)CCCO1 ZINC000683374864 548475357 /nfs/dbraw/zinc/47/53/57/548475357.db2.gz TXYCJKJRIQZYDV-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)[C@@H]1CCCN1C ZINC001666871137 1174641947 /nfs/dbraw/zinc/64/19/47/1174641947.db2.gz UUNCWSYCLGBAEB-HIFRSBDPSA-N 1 3 307.442 0.493 20 0 DCADHO CC(C)=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001674066054 1175249077 /nfs/dbraw/zinc/24/90/77/1175249077.db2.gz ALUKLFMSROUTPG-OAHLLOKOSA-N 1 3 309.454 0.990 20 0 DCADHO CCC[NH+](CCC)CCCNS(=O)(=O)N1CCNCC1 ZINC000923606487 667626422 /nfs/dbraw/zinc/62/64/22/667626422.db2.gz XZXYCNOJIAYLDM-UHFFFAOYSA-N 1 3 306.476 0.238 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000978803470 660606588 /nfs/dbraw/zinc/60/65/88/660606588.db2.gz YXMHJXJDBVIRSH-LVQVYYBASA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000978803470 660606589 /nfs/dbraw/zinc/60/65/89/660606589.db2.gz YXMHJXJDBVIRSH-LVQVYYBASA-N 1 3 309.454 0.536 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980232525 660897220 /nfs/dbraw/zinc/89/72/20/660897220.db2.gz QAGXPVBPSVQVEQ-MELADBBJSA-N 1 3 306.410 0.470 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC000980232525 660897222 /nfs/dbraw/zinc/89/72/22/660897222.db2.gz QAGXPVBPSVQVEQ-MELADBBJSA-N 1 3 306.410 0.470 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2nccn2C)CN1C(=O)CN1CCCC1 ZINC000980802367 661014127 /nfs/dbraw/zinc/01/41/27/661014127.db2.gz YJTJSQOLBUWCAA-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2cncn2C)CN1C(=O)CN1CCCC1 ZINC000980799705 661015437 /nfs/dbraw/zinc/01/54/37/661015437.db2.gz KLVSSBCBJZYMLJ-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981815815 661223807 /nfs/dbraw/zinc/22/38/07/661223807.db2.gz BTSAKMKLSUMWMB-CQSZACIVSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981815815 661223808 /nfs/dbraw/zinc/22/38/08/661223808.db2.gz BTSAKMKLSUMWMB-CQSZACIVSA-N 1 3 309.454 0.776 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891538460 657466109 /nfs/dbraw/zinc/46/61/09/657466109.db2.gz ZRMMRVFIQKEHQK-FMKPAKJESA-N 1 3 310.442 0.681 20 0 DCADHO COc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001023084455 657485067 /nfs/dbraw/zinc/48/50/67/657485067.db2.gz PHDBPJMSXFGEQI-AEGPPILISA-N 1 3 318.421 0.779 20 0 DCADHO COc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023084455 657485073 /nfs/dbraw/zinc/48/50/73/657485073.db2.gz PHDBPJMSXFGEQI-AEGPPILISA-N 1 3 318.421 0.779 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000891575550 657493098 /nfs/dbraw/zinc/49/30/98/657493098.db2.gz HHCYCUJHMKYBFX-ZIAGYGMSSA-N 1 3 312.458 0.785 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000891580401 657499158 /nfs/dbraw/zinc/49/91/58/657499158.db2.gz XLBPTYGZPLZSJI-LSDHHAIUSA-N 1 3 311.474 0.583 20 0 DCADHO C[C@H](CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)CN1CCN(C)CC1 ZINC000891601991 657515679 /nfs/dbraw/zinc/51/56/79/657515679.db2.gz JOIJVZNXSQVFST-BFYDXBDKSA-N 1 3 323.485 0.454 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC000970446978 657526839 /nfs/dbraw/zinc/52/68/39/657526839.db2.gz IEULQOILZRTWOY-SWLSCSKDSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000969403622 657811798 /nfs/dbraw/zinc/81/17/98/657811798.db2.gz NCTFDIYJXQEZOL-DGNOSDGRSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)NCc2cc(N)ccn2)CCCO1 ZINC000891857404 657831355 /nfs/dbraw/zinc/83/13/55/657831355.db2.gz AMCUHNOJLGRHQB-ZDUSSCGKSA-N 1 3 321.425 0.964 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)NCc2cc(N)ccn2)CCCO1 ZINC000891857404 657831362 /nfs/dbraw/zinc/83/13/62/657831362.db2.gz AMCUHNOJLGRHQB-ZDUSSCGKSA-N 1 3 321.425 0.964 20 0 DCADHO CN1CCN(CCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1(C)C ZINC000891880988 657870063 /nfs/dbraw/zinc/87/00/63/657870063.db2.gz RHHPGFUQGKZMTA-LSDHHAIUSA-N 1 3 323.485 0.548 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000970792264 657909823 /nfs/dbraw/zinc/90/98/23/657909823.db2.gz HNIBKSIXBBZBAU-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC000970792525 657909848 /nfs/dbraw/zinc/90/98/48/657909848.db2.gz MROWQMPBTYCRLK-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022452487 657934628 /nfs/dbraw/zinc/93/46/28/657934628.db2.gz MXYOHQOPRUFUCW-SYGRHNPNSA-N 1 3 319.449 0.887 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC000969594974 658011937 /nfs/dbraw/zinc/01/19/37/658011937.db2.gz DBYCZWPHIMVQGC-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC000969721595 658103805 /nfs/dbraw/zinc/10/38/05/658103805.db2.gz HVIDBQDMYKQXPT-SOUVJXGZSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC000969721595 658103808 /nfs/dbraw/zinc/10/38/08/658103808.db2.gz HVIDBQDMYKQXPT-SOUVJXGZSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2CN1 ZINC000892067491 658155515 /nfs/dbraw/zinc/15/55/15/658155515.db2.gz VKXBNUXBWLJARW-INIZCTEOSA-N 1 3 300.406 0.920 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001020588709 658159700 /nfs/dbraw/zinc/15/97/00/658159700.db2.gz JVGZEUYMOMQIOL-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001020590192 658169120 /nfs/dbraw/zinc/16/91/20/658169120.db2.gz ONOKOCZKYCWCMI-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020592483 658171388 /nfs/dbraw/zinc/17/13/88/658171388.db2.gz GOYUHYQXCCBOOE-OJAKKHQRSA-N 1 3 323.466 0.781 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020592483 658171394 /nfs/dbraw/zinc/17/13/94/658171394.db2.gz GOYUHYQXCCBOOE-OJAKKHQRSA-N 1 3 323.466 0.781 20 0 DCADHO CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001020591216 658171636 /nfs/dbraw/zinc/17/16/36/658171636.db2.gz HQYFMJVOPSUNIU-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)ncn1 ZINC001020592775 658178951 /nfs/dbraw/zinc/17/89/51/658178951.db2.gz OGUXLBFOGFTCAW-ATVPRXPUSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)ncn1 ZINC001020592775 658178955 /nfs/dbraw/zinc/17/89/55/658178955.db2.gz OGUXLBFOGFTCAW-ATVPRXPUSA-N 1 3 317.437 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892386815 658179498 /nfs/dbraw/zinc/17/94/98/658179498.db2.gz MXWIIERECBWNFD-ZDUSSCGKSA-N 1 3 300.447 0.378 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000892176491 658266913 /nfs/dbraw/zinc/26/69/13/658266913.db2.gz VNQKWUPWPFMPHE-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998993511 665562029 /nfs/dbraw/zinc/56/20/29/665562029.db2.gz FMKNYSCLDAXDAF-ZBCRRDGASA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CCN1c1cc[nH+]cc1 ZINC000892184024 658279430 /nfs/dbraw/zinc/27/94/30/658279430.db2.gz NSJBUZMAFADZST-UKRRQHHQSA-N 1 3 319.409 0.290 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000969949791 658285345 /nfs/dbraw/zinc/28/53/45/658285345.db2.gz XLMXNSIKLDLFEH-ZIAGYGMSSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000969949791 658285347 /nfs/dbraw/zinc/28/53/47/658285347.db2.gz XLMXNSIKLDLFEH-ZIAGYGMSSA-N 1 3 305.426 0.595 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001022714552 658364837 /nfs/dbraw/zinc/36/48/37/658364837.db2.gz WTDHCXARIJEQLB-KBXIAJHMSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)C1 ZINC001022716421 658371457 /nfs/dbraw/zinc/37/14/57/658371457.db2.gz XJQGMLUTYIUQIZ-QXSJWSMHSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022718968 658381056 /nfs/dbraw/zinc/38/10/56/658381056.db2.gz GOYUHYQXCCBOOE-FTYKPCCVSA-N 1 3 323.466 0.781 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022718968 658381067 /nfs/dbraw/zinc/38/10/67/658381067.db2.gz GOYUHYQXCCBOOE-FTYKPCCVSA-N 1 3 323.466 0.781 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000892435598 658489759 /nfs/dbraw/zinc/48/97/59/658489759.db2.gz BXWIEGITRNDOJA-KKUMJFAQSA-N 1 3 312.458 0.650 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024176577 658505990 /nfs/dbraw/zinc/50/59/90/658505990.db2.gz CNTBLQAKEAWGIJ-CYBMUJFWSA-N 1 3 316.409 0.714 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020927242 658586840 /nfs/dbraw/zinc/58/68/40/658586840.db2.gz JRDRNSLPSKGBHM-IHRRRGAJSA-N 1 3 320.441 0.377 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020927242 658586850 /nfs/dbraw/zinc/58/68/50/658586850.db2.gz JRDRNSLPSKGBHM-IHRRRGAJSA-N 1 3 320.441 0.377 20 0 DCADHO COc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001021895768 658627295 /nfs/dbraw/zinc/62/72/95/658627295.db2.gz QZRXKADPTRUOKT-QLFBSQMISA-N 1 3 318.421 0.921 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001020980455 658649294 /nfs/dbraw/zinc/64/92/94/658649294.db2.gz IWLHXFPCPLZXKX-JOCQHMNTSA-N 1 3 316.409 0.474 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001024561679 658717644 /nfs/dbraw/zinc/71/76/44/658717644.db2.gz VHAVRBNWOIIXSL-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001024561679 658717651 /nfs/dbraw/zinc/71/76/51/658717651.db2.gz VHAVRBNWOIIXSL-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001021090167 658750559 /nfs/dbraw/zinc/75/05/59/658750559.db2.gz FOFYCKCCEGHKMA-VGWMRTNUSA-N 1 3 319.453 0.993 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021096468 658764365 /nfs/dbraw/zinc/76/43/65/658764365.db2.gz ULQVHPDOJJQDNB-AJNGGQMLSA-N 1 3 322.453 0.376 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954835769 658799428 /nfs/dbraw/zinc/79/94/28/658799428.db2.gz WJNRRVVXFNNHCN-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954835769 658799435 /nfs/dbraw/zinc/79/94/35/658799435.db2.gz WJNRRVVXFNNHCN-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C2CN(CCCO)C2)C1 ZINC000970319262 658860296 /nfs/dbraw/zinc/86/02/96/658860296.db2.gz SLXGSHHSARFAEZ-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C2CN(CCCO)C2)C1 ZINC000970319262 658860299 /nfs/dbraw/zinc/86/02/99/658860299.db2.gz SLXGSHHSARFAEZ-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO [NH3+][C@@H]1CCCCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891513860 658899526 /nfs/dbraw/zinc/89/95/26/658899526.db2.gz IFYUEFONURDBIQ-RBSFLKMASA-N 1 3 310.442 0.763 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999347681 665633825 /nfs/dbraw/zinc/63/38/25/665633825.db2.gz JZWOKKFZLGQLSB-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999347681 665633827 /nfs/dbraw/zinc/63/38/27/665633827.db2.gz JZWOKKFZLGQLSB-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000999373516 665634827 /nfs/dbraw/zinc/63/48/27/665634827.db2.gz QOFQSBXYWNXJBW-ZFWWWQNUSA-N 1 3 322.453 0.459 20 0 DCADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999373516 665634828 /nfs/dbraw/zinc/63/48/28/665634828.db2.gz QOFQSBXYWNXJBW-ZFWWWQNUSA-N 1 3 322.453 0.459 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)C1 ZINC000999402678 665640939 /nfs/dbraw/zinc/64/09/39/665640939.db2.gz IUDRENLOYCEJLD-HLIUYOAVSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1C ZINC001027215008 659085221 /nfs/dbraw/zinc/08/52/21/659085221.db2.gz BDQSJJVCDBMCHD-CABCVRRESA-N 1 3 319.453 0.618 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001027215008 659085227 /nfs/dbraw/zinc/08/52/27/659085227.db2.gz BDQSJJVCDBMCHD-CABCVRRESA-N 1 3 319.453 0.618 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217900 659089568 /nfs/dbraw/zinc/08/95/68/659089568.db2.gz RSIJMAQWDULGKY-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)ncn1 ZINC001027217934 659089797 /nfs/dbraw/zinc/08/97/97/659089797.db2.gz TUQMVLSNXDZZMQ-OAHLLOKOSA-N 1 3 317.437 0.819 20 0 DCADHO c1ccc(N2CCN(CCCN[C@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000925537987 659112707 /nfs/dbraw/zinc/11/27/07/659112707.db2.gz NQYCFTMVXSXFOQ-KRWDZBQOSA-N 1 3 318.465 0.777 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000974145592 659228216 /nfs/dbraw/zinc/22/82/16/659228216.db2.gz CJKBOELOUIABGI-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974145592 659228220 /nfs/dbraw/zinc/22/82/20/659228220.db2.gz CJKBOELOUIABGI-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)C[NH+]1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031856576 665657069 /nfs/dbraw/zinc/65/70/69/665657069.db2.gz CJTNYWKBAYYBPC-GULBITTBSA-N 1 3 307.438 0.554 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC001026386940 659271920 /nfs/dbraw/zinc/27/19/20/659271920.db2.gz VAOAJQPFGOIGFO-JYJNAYRXSA-N 1 3 309.454 0.537 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)NCCCN1CCCCC1 ZINC000722213489 659366860 /nfs/dbraw/zinc/36/68/60/659366860.db2.gz XMBBHOCCKBMSMT-UHFFFAOYSA-N 1 3 303.472 0.781 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCO1 ZINC000892789010 659457336 /nfs/dbraw/zinc/45/73/36/659457336.db2.gz KDBYFLIXGOKBSC-LSDHHAIUSA-N 1 3 304.394 0.070 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000892817885 659470222 /nfs/dbraw/zinc/47/02/22/659470222.db2.gz HFHHGDSRXQOPAO-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000892817885 659470223 /nfs/dbraw/zinc/47/02/23/659470223.db2.gz HFHHGDSRXQOPAO-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892817883 659470486 /nfs/dbraw/zinc/47/04/86/659470486.db2.gz HFHHGDSRXQOPAO-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892817883 659470489 /nfs/dbraw/zinc/47/04/89/659470489.db2.gz HFHHGDSRXQOPAO-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001026733056 659489726 /nfs/dbraw/zinc/48/97/26/659489726.db2.gz HHWBRDLDAAPDDK-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001026733931 659490715 /nfs/dbraw/zinc/49/07/15/659490715.db2.gz KCLZGOAOMCIZLF-AAEUAGOBSA-N 1 3 309.439 0.570 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000892945226 659541015 /nfs/dbraw/zinc/54/10/15/659541015.db2.gz ZFIVIOURVAICGP-OWCLPIDISA-N 1 3 324.469 0.975 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000892945226 659541017 /nfs/dbraw/zinc/54/10/17/659541017.db2.gz ZFIVIOURVAICGP-OWCLPIDISA-N 1 3 324.469 0.975 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019822974 659621459 /nfs/dbraw/zinc/62/14/59/659621459.db2.gz UBRHPNQYYDKEND-GJZGRUSLSA-N 1 3 320.441 0.343 20 0 DCADHO Cn1cc(CNC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001026887994 659627847 /nfs/dbraw/zinc/62/78/47/659627847.db2.gz YZRMJGZFIVMUQP-WFASDCNBSA-N 1 3 320.441 0.093 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC1CN(C(=O)[C@H]2CCCCN2C)C1 ZINC000999849060 665691573 /nfs/dbraw/zinc/69/15/73/665691573.db2.gz PZMZLURRJJIHCO-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@H]2CCCCN2C)C1 ZINC000999849060 665691574 /nfs/dbraw/zinc/69/15/74/665691574.db2.gz PZMZLURRJJIHCO-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C)C2)sn1 ZINC001020026387 659659369 /nfs/dbraw/zinc/65/93/69/659659369.db2.gz RNZVPCPUWAALRR-GVXVVHGQSA-N 1 3 324.450 0.983 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001027042953 659728725 /nfs/dbraw/zinc/72/87/25/659728725.db2.gz SELNLWWVJOUHKO-GOEBONIOSA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001027070064 659783889 /nfs/dbraw/zinc/78/38/89/659783889.db2.gz IGHVWPKJJYUEES-ZFWWWQNUSA-N 1 3 322.457 0.576 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000999878159 665706206 /nfs/dbraw/zinc/70/62/06/665706206.db2.gz QEXOFDHABVOZSF-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000999878159 665706208 /nfs/dbraw/zinc/70/62/08/665706208.db2.gz QEXOFDHABVOZSF-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)CCc1ccccc1C(=O)NCC1CN(CCCO)C1 ZINC001031875054 665719813 /nfs/dbraw/zinc/71/98/13/665719813.db2.gz DSPTXMNDYUMNCQ-UHFFFAOYSA-N 1 3 319.449 0.835 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000192389 665770094 /nfs/dbraw/zinc/77/00/94/665770094.db2.gz MEWMWHKQHVWOIH-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](CCCO)C[C@]3(C)C2)C1 ZINC000982557563 661566687 /nfs/dbraw/zinc/56/66/87/661566687.db2.gz QZYVLNCIEMSUJD-NXHRZFHOSA-N 1 3 323.481 0.881 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](CCCO)C[C@]3(C)C2)C1 ZINC000982557563 661566688 /nfs/dbraw/zinc/56/66/88/661566688.db2.gz QZYVLNCIEMSUJD-NXHRZFHOSA-N 1 3 323.481 0.881 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940626166 665816383 /nfs/dbraw/zinc/81/63/83/665816383.db2.gz ZWDUSLJUSHOTCR-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940626166 665816385 /nfs/dbraw/zinc/81/63/85/665816385.db2.gz ZWDUSLJUSHOTCR-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001000311469 665820163 /nfs/dbraw/zinc/82/01/63/665820163.db2.gz IPCZRYDKKOLPOK-AWEZNQCLSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001000378560 665831992 /nfs/dbraw/zinc/83/19/92/665831992.db2.gz OFVZUEYEGAISJN-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CN1CC[C@H]1CNC(=O)C(C)(C)CCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928561424 662128053 /nfs/dbraw/zinc/12/80/53/662128053.db2.gz BDSAIQJHZDCYAW-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@H]1CNC(=O)C(C)(C)CCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928561424 662128055 /nfs/dbraw/zinc/12/80/55/662128055.db2.gz BDSAIQJHZDCYAW-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000984799683 662315814 /nfs/dbraw/zinc/31/58/14/662315814.db2.gz IRCVUXQZTGUEEE-KKUMJFAQSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC000984803787 662316657 /nfs/dbraw/zinc/31/66/57/662316657.db2.gz JOOGXCPGKHEQAI-TUVASFSCSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985431940 662443440 /nfs/dbraw/zinc/44/34/40/662443440.db2.gz AXGOASXJOQNZNL-IUODEOHRSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985467073 662460137 /nfs/dbraw/zinc/46/01/37/662460137.db2.gz HGTFSVCNSQFVKR-HUUCEWRRSA-N 1 3 324.469 0.513 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985467073 662460138 /nfs/dbraw/zinc/46/01/38/662460138.db2.gz HGTFSVCNSQFVKR-HUUCEWRRSA-N 1 3 324.469 0.513 20 0 DCADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985614718 662492617 /nfs/dbraw/zinc/49/26/17/662492617.db2.gz LKYIOYJNLHAYKT-OAHLLOKOSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985686657 662500432 /nfs/dbraw/zinc/50/04/32/662500432.db2.gz QFWDZINLFGEZIZ-OAHLLOKOSA-N 1 3 324.469 0.657 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985686657 662500433 /nfs/dbraw/zinc/50/04/33/662500433.db2.gz QFWDZINLFGEZIZ-OAHLLOKOSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985802375 662514906 /nfs/dbraw/zinc/51/49/06/662514906.db2.gz RIIYFPIBJOSNSQ-BETUJISGSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985802375 662514907 /nfs/dbraw/zinc/51/49/07/662514907.db2.gz RIIYFPIBJOSNSQ-BETUJISGSA-N 1 3 310.442 0.267 20 0 DCADHO CN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904587 662554305 /nfs/dbraw/zinc/55/43/05/662554305.db2.gz YSVMWBYZXSBXIS-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904587 662554306 /nfs/dbraw/zinc/55/43/06/662554306.db2.gz YSVMWBYZXSBXIS-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN(C)C1CCC1 ZINC000986352138 662585263 /nfs/dbraw/zinc/58/52/63/662585263.db2.gz GBSRFWQZBLEOIA-DZGCQCFKSA-N 1 3 320.441 0.341 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029947088 662597480 /nfs/dbraw/zinc/59/74/80/662597480.db2.gz HVEWXGCTWAZSOG-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029947088 662597482 /nfs/dbraw/zinc/59/74/82/662597482.db2.gz HVEWXGCTWAZSOG-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1)N(C)C ZINC001029972645 662603432 /nfs/dbraw/zinc/60/34/32/662603432.db2.gz LKHYVSJUZMAVFA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1)N(C)C ZINC001029972645 662603433 /nfs/dbraw/zinc/60/34/33/662603433.db2.gz LKHYVSJUZMAVFA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC000987522076 662685696 /nfs/dbraw/zinc/68/56/96/662685696.db2.gz FDCSMBSZLOUSRX-GOEBONIOSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCn2cccn2)CN1C(=O)CN(C)C1CCC1 ZINC000988956132 662873206 /nfs/dbraw/zinc/87/32/06/662873206.db2.gz OFQMGVCAECXMTB-CABCVRRESA-N 1 3 319.453 0.946 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cncn2C)CN1C(=O)CN(C)C1CCC1 ZINC000988957325 662873462 /nfs/dbraw/zinc/87/34/62/662873462.db2.gz FLUPPDIVVGNGJK-KGLIPLIRSA-N 1 3 319.453 0.983 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001000689547 665910561 /nfs/dbraw/zinc/91/05/61/665910561.db2.gz QEFXZLOOQMFEFB-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000689547 665910563 /nfs/dbraw/zinc/91/05/63/665910563.db2.gz QEFXZLOOQMFEFB-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2)C1CC1 ZINC001040241329 662965980 /nfs/dbraw/zinc/96/59/80/662965980.db2.gz NHGZIOCEGZTYRT-WBVHZDCISA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2)C1CC1 ZINC001040241329 662965981 /nfs/dbraw/zinc/96/59/81/662965981.db2.gz NHGZIOCEGZTYRT-WBVHZDCISA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000989664611 662969781 /nfs/dbraw/zinc/96/97/81/662969781.db2.gz KEOQLDDAJKHRKZ-SWLSCSKDSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)CN1C(=O)CN1CCCC1 ZINC000989796516 662980348 /nfs/dbraw/zinc/98/03/48/662980348.db2.gz NFXRVRHWUHJNAE-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)CN1C(=O)CN1CCCC1 ZINC000989796550 662980355 /nfs/dbraw/zinc/98/03/55/662980355.db2.gz NPBYPRDJOWQBEK-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000990024738 662994998 /nfs/dbraw/zinc/99/49/98/662994998.db2.gz DRVIUUNRCAINGG-JKIFEVAISA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000990024738 662994999 /nfs/dbraw/zinc/99/49/99/662994999.db2.gz DRVIUUNRCAINGG-JKIFEVAISA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941102749 665923626 /nfs/dbraw/zinc/92/36/26/665923626.db2.gz RLEMBEKAEXBURG-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941102749 665923630 /nfs/dbraw/zinc/92/36/30/665923630.db2.gz RLEMBEKAEXBURG-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1C[C@H](NC(=O)c2ccnn2CC[NH+](C)C)CN1C1CC1 ZINC000900994483 663302966 /nfs/dbraw/zinc/30/29/66/663302966.db2.gz HPVASIYNZFCNAG-STQMWFEESA-N 1 3 305.426 0.800 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2ccnn2CC[NH+](C)C)CN1C1CC1 ZINC000900994477 663302997 /nfs/dbraw/zinc/30/29/97/663302997.db2.gz HPVASIYNZFCNAG-CHWSQXEVSA-N 1 3 305.426 0.800 20 0 DCADHO CC1(C)CN([C@H]2CCNC2=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221396 665948617 /nfs/dbraw/zinc/94/86/17/665948617.db2.gz SNXVASGTBHCPPL-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO OCCO[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOC1 ZINC000903198765 663448755 /nfs/dbraw/zinc/44/87/55/663448755.db2.gz FSRQQXAUOUOCDD-CVGRLMLNSA-N 1 3 310.438 0.902 20 0 DCADHO OCCO[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC1 ZINC000903198765 663448756 /nfs/dbraw/zinc/44/87/56/663448756.db2.gz FSRQQXAUOUOCDD-CVGRLMLNSA-N 1 3 310.438 0.902 20 0 DCADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@@H]1[NH3+] ZINC000903737736 663478232 /nfs/dbraw/zinc/47/82/32/663478232.db2.gz DMLHKEBLVUDALF-KGLIPLIRSA-N 1 3 322.453 0.269 20 0 DCADHO C([C@H]1CCOC1)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903740297 663478958 /nfs/dbraw/zinc/47/89/58/663478958.db2.gz FZXXOHOKOXGZSH-IAGOWNOFSA-N 1 3 323.481 0.799 20 0 DCADHO COCCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903811078 663487064 /nfs/dbraw/zinc/48/70/64/663487064.db2.gz JITPVVDDSYXZPE-LSDHHAIUSA-N 1 3 300.443 0.994 20 0 DCADHO COCCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903811078 663487066 /nfs/dbraw/zinc/48/70/66/663487066.db2.gz JITPVVDDSYXZPE-LSDHHAIUSA-N 1 3 300.443 0.994 20 0 DCADHO CC(C)[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1C ZINC000903937673 663497373 /nfs/dbraw/zinc/49/73/73/663497373.db2.gz PKHCIHLIAQSFKZ-GDBMZVCRSA-N 1 3 306.458 0.975 20 0 DCADHO O=S1(=O)CCNC[C@@H]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000903970451 663498761 /nfs/dbraw/zinc/49/87/61/663498761.db2.gz XJTFCRDZPSYJLU-YJNKXOJESA-N 1 3 315.483 0.273 20 0 DCADHO CN(C)CCN1C[C@H](c2nc(CC3CC[NH2+]CC3)no2)CC1=O ZINC000905312490 663545677 /nfs/dbraw/zinc/54/56/77/663545677.db2.gz ADGZGEQELZOVMT-CYBMUJFWSA-N 1 3 321.425 0.489 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001001006451 665974248 /nfs/dbraw/zinc/97/42/48/665974248.db2.gz GPWFNFBTXRXDDG-UKRRQHHQSA-N 1 3 310.442 0.173 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000905336528 663550071 /nfs/dbraw/zinc/55/00/71/663550071.db2.gz RICZGTDIKNBWBD-CQSZACIVSA-N 1 3 301.456 0.390 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941345373 665978286 /nfs/dbraw/zinc/97/82/86/665978286.db2.gz TXSKZLCXUATWCM-KRWDZBQOSA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC000908400744 663753754 /nfs/dbraw/zinc/75/37/54/663753754.db2.gz VZNGJHPYQHFMAT-IAGOWNOFSA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC000908400744 663753755 /nfs/dbraw/zinc/75/37/55/663753755.db2.gz VZNGJHPYQHFMAT-IAGOWNOFSA-N 1 3 320.481 0.709 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909315510 663795018 /nfs/dbraw/zinc/79/50/18/663795018.db2.gz LJGXHSCQPZAQGO-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909315510 663795019 /nfs/dbraw/zinc/79/50/19/663795019.db2.gz LJGXHSCQPZAQGO-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CCCCC1 ZINC000910959912 663958834 /nfs/dbraw/zinc/95/88/34/663958834.db2.gz SMGNGDDIJHATGJ-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911054195 663973097 /nfs/dbraw/zinc/97/30/97/663973097.db2.gz GRPQOABNMJHNNQ-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911160539 663995356 /nfs/dbraw/zinc/99/53/56/663995356.db2.gz DTISVKKVQGAXCY-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911209029 664005459 /nfs/dbraw/zinc/00/54/59/664005459.db2.gz KXTJHRCAZMTBIT-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[C@H]1C[NH3+] ZINC000911224007 664010984 /nfs/dbraw/zinc/01/09/84/664010984.db2.gz UGRYJSDREAADER-VHDGCEQUSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000911389440 664042812 /nfs/dbraw/zinc/04/28/12/664042812.db2.gz RNNXGGXZSCEJST-MGPQQGTHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@H]1C[NH3+] ZINC000911532462 664069905 /nfs/dbraw/zinc/06/99/05/664069905.db2.gz LSLFUIRXUZVOOO-KGLIPLIRSA-N 1 3 324.469 0.278 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCC1(C)C ZINC000911534368 664070450 /nfs/dbraw/zinc/07/04/50/664070450.db2.gz MKCOLAZWKJAODP-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000913005785 664253091 /nfs/dbraw/zinc/25/30/91/664253091.db2.gz IASOSTBWOGINFX-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000913005785 664253094 /nfs/dbraw/zinc/25/30/94/664253094.db2.gz IASOSTBWOGINFX-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCN1C ZINC000925409888 664788027 /nfs/dbraw/zinc/78/80/27/664788027.db2.gz XWJGDXZTGZSIPP-HNNXBMFYSA-N 1 3 311.474 0.358 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCN1C ZINC000925409888 664788028 /nfs/dbraw/zinc/78/80/28/664788028.db2.gz XWJGDXZTGZSIPP-HNNXBMFYSA-N 1 3 311.474 0.358 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCN1C ZINC000925409888 664788029 /nfs/dbraw/zinc/78/80/29/664788029.db2.gz XWJGDXZTGZSIPP-HNNXBMFYSA-N 1 3 311.474 0.358 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731120486 664836185 /nfs/dbraw/zinc/83/61/85/664836185.db2.gz AJKUYCZMZJWZTJ-OWCLPIDISA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000731120486 664836187 /nfs/dbraw/zinc/83/61/87/664836187.db2.gz AJKUYCZMZJWZTJ-OWCLPIDISA-N 1 3 322.453 0.633 20 0 DCADHO CN1CC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000918906862 665189382 /nfs/dbraw/zinc/18/93/82/665189382.db2.gz RUETVOUDEAJABW-HIFRSBDPSA-N 1 3 309.458 0.158 20 0 DCADHO CN1CC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000918906862 665189383 /nfs/dbraw/zinc/18/93/83/665189383.db2.gz RUETVOUDEAJABW-HIFRSBDPSA-N 1 3 309.458 0.158 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000941673737 666038649 /nfs/dbraw/zinc/03/86/49/666038649.db2.gz PFTCVPUQZAFSNJ-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000941673737 666038650 /nfs/dbraw/zinc/03/86/50/666038650.db2.gz PFTCVPUQZAFSNJ-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032206509 666446385 /nfs/dbraw/zinc/44/63/85/666446385.db2.gz CKGUZOZVELSWMI-ZDUSSCGKSA-N 1 3 305.422 0.791 20 0 DCADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CCN(CCCO)C1 ZINC001033181995 666608815 /nfs/dbraw/zinc/60/88/15/666608815.db2.gz LHHCJODUNQFMRA-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]3CC2)C1 ZINC000946779844 666651720 /nfs/dbraw/zinc/65/17/20/666651720.db2.gz UHRBOLLIGXFNLD-ZACQAIPSSA-N 1 3 323.481 0.881 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]3CC2)C1 ZINC000946779844 666651722 /nfs/dbraw/zinc/65/17/22/666651722.db2.gz UHRBOLLIGXFNLD-ZACQAIPSSA-N 1 3 323.481 0.881 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033398968 666700580 /nfs/dbraw/zinc/70/05/80/666700580.db2.gz ZMGJBGBZGVHBKN-INIZCTEOSA-N 1 3 319.453 0.758 20 0 DCADHO CC(C)(C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996136554 666743708 /nfs/dbraw/zinc/74/37/08/666743708.db2.gz PMQBPXAIBCIWAZ-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996610054 666836995 /nfs/dbraw/zinc/83/69/95/666836995.db2.gz JEMKODFYZODPTG-LSDHHAIUSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996610054 666836996 /nfs/dbraw/zinc/83/69/96/666836996.db2.gz JEMKODFYZODPTG-LSDHHAIUSA-N 1 3 319.453 0.698 20 0 DCADHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC(N)=O ZINC000996665532 666853902 /nfs/dbraw/zinc/85/39/02/666853902.db2.gz CVGXKZVHQSQCOH-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cncn2C)CC1)N(C)C ZINC000996721557 666878231 /nfs/dbraw/zinc/87/82/31/666878231.db2.gz YWCQKBOBGFQVAM-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034318682 666988622 /nfs/dbraw/zinc/98/86/22/666988622.db2.gz DRQNDRRXLLNXHE-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034318682 666988624 /nfs/dbraw/zinc/98/86/24/666988624.db2.gz DRQNDRRXLLNXHE-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NN3CCOC3=O)CC2)CC1 ZINC000862703098 667072528 /nfs/dbraw/zinc/07/25/28/667072528.db2.gz JYOUATUAOMWQKF-UHFFFAOYSA-N 1 3 324.425 0.666 20 0 DCADHO CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001034693829 667112014 /nfs/dbraw/zinc/11/20/14/667112014.db2.gz HWWGRPSREATYGN-VXSWHIBVSA-N 1 3 307.438 0.887 20 0 DCADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034791622 667148446 /nfs/dbraw/zinc/14/84/46/667148446.db2.gz OFIHIEUOSKUJDE-KKUMJFAQSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034791622 667148449 /nfs/dbraw/zinc/14/84/49/667148449.db2.gz OFIHIEUOSKUJDE-KKUMJFAQSA-N 1 3 319.453 0.889 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C)C1CC1 ZINC001034959271 667199051 /nfs/dbraw/zinc/19/90/51/667199051.db2.gz VRMFBVCJWKTVMQ-HZPDHXFCSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cncn2C)CC[N@@H+]1C ZINC001034940060 667199778 /nfs/dbraw/zinc/19/97/78/667199778.db2.gz VIVBWZFQOJXTEP-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cncn2C)CC[N@H+]1C ZINC001034940060 667199779 /nfs/dbraw/zinc/19/97/79/667199779.db2.gz VIVBWZFQOJXTEP-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC2(O)CCOCC2)[C@@H](C)C1 ZINC000863969436 667203950 /nfs/dbraw/zinc/20/39/50/667203950.db2.gz VFHVNSQFQHHUTI-XHSDSOJGSA-N 1 3 314.470 0.941 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC2(O)CCOCC2)[C@@H](C)C1 ZINC000863969436 667203951 /nfs/dbraw/zinc/20/39/51/667203951.db2.gz VFHVNSQFQHHUTI-XHSDSOJGSA-N 1 3 314.470 0.941 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1)[NH+](C)C ZINC001032459549 667277793 /nfs/dbraw/zinc/27/77/93/667277793.db2.gz GPGVCQPLKDKRBD-VGWMRTNUSA-N 1 3 309.454 0.894 20 0 DCADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](CCCO)C2)CC1 ZINC001035254824 667282443 /nfs/dbraw/zinc/28/24/43/667282443.db2.gz SPPIDIURKPQDGU-UHFFFAOYSA-N 1 3 309.454 0.779 20 0 DCADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](CCCO)C2)CC1 ZINC001035254824 667282445 /nfs/dbraw/zinc/28/24/45/667282445.db2.gz SPPIDIURKPQDGU-UHFFFAOYSA-N 1 3 309.454 0.779 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000997376767 667283455 /nfs/dbraw/zinc/28/34/55/667283455.db2.gz XCOPVLOAMPUOER-AWEZNQCLSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000997615822 667349128 /nfs/dbraw/zinc/34/91/28/667349128.db2.gz XAWWRFUXUAKBPY-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035717633 667403637 /nfs/dbraw/zinc/40/36/37/667403637.db2.gz PAMZGJGSXCOQHV-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035717633 667403639 /nfs/dbraw/zinc/40/36/39/667403639.db2.gz PAMZGJGSXCOQHV-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035795504 667410373 /nfs/dbraw/zinc/41/03/73/667410373.db2.gz UVZQAUCLERTYFZ-LSDHHAIUSA-N 1 3 309.454 0.755 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035795504 667410374 /nfs/dbraw/zinc/41/03/74/667410374.db2.gz UVZQAUCLERTYFZ-LSDHHAIUSA-N 1 3 309.454 0.755 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035795500 667410589 /nfs/dbraw/zinc/41/05/89/667410589.db2.gz UVZQAUCLERTYFZ-CABCVRRESA-N 1 3 309.454 0.755 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035795500 667410590 /nfs/dbraw/zinc/41/05/90/667410590.db2.gz UVZQAUCLERTYFZ-CABCVRRESA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001036203968 667429781 /nfs/dbraw/zinc/42/97/81/667429781.db2.gz IRSLIZOIZVCVKI-TZMCWYRMSA-N 1 3 317.397 0.071 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CN)OC)[C@H](C)C1 ZINC000884220736 667502636 /nfs/dbraw/zinc/50/26/36/667502636.db2.gz AWUHAVPGTXJESU-MCIONIFRSA-N 1 3 301.431 0.213 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H](CN)OC)[C@H](C)C1 ZINC000884220736 667502639 /nfs/dbraw/zinc/50/26/39/667502639.db2.gz AWUHAVPGTXJESU-MCIONIFRSA-N 1 3 301.431 0.213 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CCOC)[C@@H](C)C1 ZINC000884221305 667502714 /nfs/dbraw/zinc/50/27/14/667502714.db2.gz OSUZGVPHHTXSNH-ZNMIVQPWSA-N 1 3 315.458 0.603 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CCOC)[C@@H](C)C1 ZINC000884221305 667502715 /nfs/dbraw/zinc/50/27/15/667502715.db2.gz OSUZGVPHHTXSNH-ZNMIVQPWSA-N 1 3 315.458 0.603 20 0 DCADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000884234766 667506243 /nfs/dbraw/zinc/50/62/43/667506243.db2.gz COSAIQICWXVJNO-HUUCEWRRSA-N 1 3 312.502 0.996 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000923323389 667507744 /nfs/dbraw/zinc/50/77/44/667507744.db2.gz SXGLJOUHCFDZCU-VHDGCEQUSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000923323389 667507747 /nfs/dbraw/zinc/50/77/47/667507747.db2.gz SXGLJOUHCFDZCU-VHDGCEQUSA-N 1 3 310.442 0.632 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364180 667516635 /nfs/dbraw/zinc/51/66/35/667516635.db2.gz JAPXUGSHQGLIPU-CAOSSQGBSA-N 1 3 300.443 0.863 20 0 DCADHO COC(=O)[C@H](NC(CN)C[NH3+])c1ccccc1C(F)(F)F ZINC000923359472 667518970 /nfs/dbraw/zinc/51/89/70/667518970.db2.gz QQFKPZLMHBYFIG-LLVKDONJSA-N 1 3 305.300 0.795 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884328493 667525134 /nfs/dbraw/zinc/52/51/34/667525134.db2.gz QZRDWUXSYDIWHY-KBMXLJTQSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884328493 667525137 /nfs/dbraw/zinc/52/51/37/667525137.db2.gz QZRDWUXSYDIWHY-KBMXLJTQSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884328490 667525492 /nfs/dbraw/zinc/52/54/92/667525492.db2.gz QZRDWUXSYDIWHY-BMFZPTHFSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884328490 667525495 /nfs/dbraw/zinc/52/54/95/667525495.db2.gz QZRDWUXSYDIWHY-BMFZPTHFSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884328491 667525558 /nfs/dbraw/zinc/52/55/58/667525558.db2.gz QZRDWUXSYDIWHY-BPUTZDHNSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884328491 667525560 /nfs/dbraw/zinc/52/55/60/667525560.db2.gz QZRDWUXSYDIWHY-BPUTZDHNSA-N 1 3 305.422 0.987 20 0 DCADHO COCC[C@@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000884345487 667529053 /nfs/dbraw/zinc/52/90/53/667529053.db2.gz HHLFRUDSBLFNMJ-KFWWJZLASA-N 1 3 309.385 0.833 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000923489907 667545938 /nfs/dbraw/zinc/54/59/38/667545938.db2.gz FOYNBGQTZICIQW-HNNXBMFYSA-N 1 3 324.469 0.566 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000868403955 667566759 /nfs/dbraw/zinc/56/67/59/667566759.db2.gz BKINQSQTMZBDHX-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC1(C)C ZINC000868406062 667567128 /nfs/dbraw/zinc/56/71/28/667567128.db2.gz LLZRELXBBUCHAZ-QGZVFWFLSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868418933 667569839 /nfs/dbraw/zinc/56/98/39/667569839.db2.gz SLECCXFWMSOSOD-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000884578108 667570026 /nfs/dbraw/zinc/57/00/26/667570026.db2.gz TUCFEQVHBUXRML-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000884578058 667570182 /nfs/dbraw/zinc/57/01/82/667570182.db2.gz RYURKESABNJLJA-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884617382 667576182 /nfs/dbraw/zinc/57/61/82/667576182.db2.gz LNGQVMGIPCLWIT-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884617623 667576479 /nfs/dbraw/zinc/57/64/79/667576479.db2.gz OYXXQEAAFPHGJV-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CCC1(C)C ZINC000884691496 667592929 /nfs/dbraw/zinc/59/29/29/667592929.db2.gz JKRXUDGVOBTAFZ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966537 667629205 /nfs/dbraw/zinc/62/92/05/667629205.db2.gz MZBJSNMRIIVRND-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000885195321 667651349 /nfs/dbraw/zinc/65/13/49/667651349.db2.gz KSDHZYZNLNWELY-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CN([C@H]1CCOC1=O)[C@H]1CC[C@H]([N@H+](C)[C@H]2CCOC2=O)CC1 ZINC000886394218 667762174 /nfs/dbraw/zinc/76/21/74/667762174.db2.gz VIUGMYXICHNECJ-XUXIUFHCSA-N 1 3 310.394 0.792 20 0 DCADHO CN([C@H]1CCOC1=O)[C@H]1CC[C@H]([N@@H+](C)[C@H]2CCOC2=O)CC1 ZINC000886394218 667762176 /nfs/dbraw/zinc/76/21/76/667762176.db2.gz VIUGMYXICHNECJ-XUXIUFHCSA-N 1 3 310.394 0.792 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870903054 667771790 /nfs/dbraw/zinc/77/17/90/667771790.db2.gz QXMHKPOJXYKHQJ-IVSAIRAKSA-N 1 3 308.470 0.504 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809684 667851800 /nfs/dbraw/zinc/85/18/00/667851800.db2.gz FAZOHKQOLWXQPE-CYBMUJFWSA-N 1 3 319.471 0.016 20 0 DCADHO O=C1C[C@@H]([N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C(=O)N1 ZINC000887306577 667868480 /nfs/dbraw/zinc/86/84/80/667868480.db2.gz VVFLRDHBBNDRGP-ARFHVFGLSA-N 1 3 313.401 0.855 20 0 DCADHO O=C1C[C@@H]([N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C(=O)N1 ZINC000887306577 667868484 /nfs/dbraw/zinc/86/84/84/667868484.db2.gz VVFLRDHBBNDRGP-ARFHVFGLSA-N 1 3 313.401 0.855 20 0 DCADHO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCCCCC[NH3+] ZINC000872155083 667870273 /nfs/dbraw/zinc/87/02/73/667870273.db2.gz LBJLFAPLOCKTEA-ZDUSSCGKSA-N 1 3 312.458 0.550 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC000889748432 667987381 /nfs/dbraw/zinc/98/73/81/667987381.db2.gz FRHKGESGPHXWOY-JJXSEGSLSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC000889748432 667987382 /nfs/dbraw/zinc/98/73/82/667987382.db2.gz FRHKGESGPHXWOY-JJXSEGSLSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@H]1C[NH2+]C[C@@H](NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000873216170 668065879 /nfs/dbraw/zinc/06/58/79/668065879.db2.gz JHWRCMAAXVQHMT-OCCSQVGLSA-N 1 3 300.410 0.814 20 0 DCADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873248561 668068431 /nfs/dbraw/zinc/06/84/31/668068431.db2.gz GKJPYLYETBTURI-KGLIPLIRSA-N 1 3 302.378 0.708 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C1[C@@H]2CC[C@H]1CN(C)C2 ZINC000924901380 668249448 /nfs/dbraw/zinc/24/94/48/668249448.db2.gz HKNKHBXECFHKEC-LVYZTWJOSA-N 1 3 322.497 0.859 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@H](C2CCCCC2)[NH+](C)C)C1=O ZINC000925280914 668289297 /nfs/dbraw/zinc/28/92/97/668289297.db2.gz BWDUTIWTSFAJMI-UONOGXRCSA-N 1 3 310.442 0.979 20 0 DCADHO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000925424071 668316818 /nfs/dbraw/zinc/31/68/18/668316818.db2.gz IYBNUBJENSSADD-LSDHHAIUSA-N 1 3 310.442 0.444 20 0 DCADHO C[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000925424071 668316823 /nfs/dbraw/zinc/31/68/23/668316823.db2.gz IYBNUBJENSSADD-LSDHHAIUSA-N 1 3 310.442 0.444 20 0 DCADHO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000925424068 668317336 /nfs/dbraw/zinc/31/73/36/668317336.db2.gz IYBNUBJENSSADD-CABCVRRESA-N 1 3 310.442 0.444 20 0 DCADHO C[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000925424068 668317341 /nfs/dbraw/zinc/31/73/41/668317341.db2.gz IYBNUBJENSSADD-CABCVRRESA-N 1 3 310.442 0.444 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926199123 668384637 /nfs/dbraw/zinc/38/46/37/668384637.db2.gz YKWFLCDCSDQCPH-JRBZFYFNSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926199123 668384642 /nfs/dbraw/zinc/38/46/42/668384642.db2.gz YKWFLCDCSDQCPH-JRBZFYFNSA-N 1 3 311.470 0.923 20 0 DCADHO CCN(CCO)CCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110084 668414446 /nfs/dbraw/zinc/41/44/46/668414446.db2.gz FFAKZJUGYOVJHW-UHFFFAOYSA-N 1 3 314.474 0.863 20 0 DCADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927635528 668489084 /nfs/dbraw/zinc/48/90/84/668489084.db2.gz HCVOQKNZEVTINH-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927635528 668489085 /nfs/dbraw/zinc/48/90/85/668489085.db2.gz HCVOQKNZEVTINH-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927639932 668489698 /nfs/dbraw/zinc/48/96/98/668489698.db2.gz CWKTYUPGJLQBKO-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000927639530 668489892 /nfs/dbraw/zinc/48/98/92/668489892.db2.gz DRFNOTYKCHAYJB-ZBFHGGJFSA-N 1 3 324.469 0.833 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)N1CCc2ccccc2C1 ZINC000876723335 668496565 /nfs/dbraw/zinc/49/65/65/668496565.db2.gz TZFVMUMMFJYRII-SJORKVTESA-N 1 3 318.465 0.828 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876738927 668499313 /nfs/dbraw/zinc/49/93/13/668499313.db2.gz AOIOGRHPTQIHRD-JYJNAYRXSA-N 1 3 310.486 0.988 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876738927 668499316 /nfs/dbraw/zinc/49/93/16/668499316.db2.gz AOIOGRHPTQIHRD-JYJNAYRXSA-N 1 3 310.486 0.988 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@@H](C)C1 ZINC000876763248 668505232 /nfs/dbraw/zinc/50/52/32/668505232.db2.gz DRSYKYRVJQGTIN-SOUVJXGZSA-N 1 3 314.474 0.129 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@@H](C)C1 ZINC000876763248 668505234 /nfs/dbraw/zinc/50/52/34/668505234.db2.gz DRSYKYRVJQGTIN-SOUVJXGZSA-N 1 3 314.474 0.129 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876782854 668510524 /nfs/dbraw/zinc/51/05/24/668510524.db2.gz WCGGZQOPWHLGHM-TZNMXKOXSA-N 1 3 322.497 0.932 20 0 DCADHO C[C@H](NC(=O)[C@@H](N)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000877253752 668585360 /nfs/dbraw/zinc/58/53/60/668585360.db2.gz HBPNCQVWQXMSPL-YOEHRIQHSA-N 1 3 318.465 0.950 20 0 DCADHO CS[C@H]1CN(CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1N(C)C ZINC000878320728 668712397 /nfs/dbraw/zinc/71/23/97/668712397.db2.gz QQHWGJCIFRWFFK-KBPBESRZSA-N 1 3 314.499 0.174 20 0 DCADHO [NH3+][C@H](C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1)C1CCCC1 ZINC000923671221 668722518 /nfs/dbraw/zinc/72/25/18/668722518.db2.gz IYCZTBKKZBRLLA-SWLSCSKDSA-N 1 3 315.483 0.908 20 0 DCADHO CCOCCOCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930136262 668966448 /nfs/dbraw/zinc/96/64/48/668966448.db2.gz KOOLAHWHENCOLR-IAGOWNOFSA-N 1 3 313.486 0.997 20 0 DCADHO CCOCCOCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000930136262 668966451 /nfs/dbraw/zinc/96/64/51/668966451.db2.gz KOOLAHWHENCOLR-IAGOWNOFSA-N 1 3 313.486 0.997 20 0 DCADHO CCOCCOCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000930136262 668966456 /nfs/dbraw/zinc/96/64/56/668966456.db2.gz KOOLAHWHENCOLR-IAGOWNOFSA-N 1 3 313.486 0.997 20 0 DCADHO C[C@H]1CN(CCN2CCC([NH+]3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000879594843 669069644 /nfs/dbraw/zinc/06/96/44/669069644.db2.gz SFLPSJBCTSKRIA-IRXDYDNUSA-N 1 3 324.513 0.807 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N1CCCCC1 ZINC000848986421 670745933 /nfs/dbraw/zinc/74/59/33/670745933.db2.gz PZHANWOKVQYRJB-AWEZNQCLSA-N 1 3 309.458 0.987 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN(C(C)=O)C1 ZINC000849024466 670751246 /nfs/dbraw/zinc/75/12/46/670751246.db2.gz JPAZWHXPSCEZBO-HUUCEWRRSA-N 1 3 309.458 0.843 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849497874 670810914 /nfs/dbraw/zinc/81/09/14/670810914.db2.gz PHEAUHFMVMIHRY-VHDGCEQUSA-N 1 3 307.442 0.522 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000851691032 671016319 /nfs/dbraw/zinc/01/63/19/671016319.db2.gz JLJHWSPBWYYDRR-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000823863295 671411808 /nfs/dbraw/zinc/41/18/08/671411808.db2.gz DGYUXVMAOVCWJF-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCCC1 ZINC000827474140 671529100 /nfs/dbraw/zinc/52/91/00/671529100.db2.gz RRTJNELNYWNNDA-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000829436488 671575621 /nfs/dbraw/zinc/57/56/21/671575621.db2.gz RSAMRRQELWELSB-HNNXBMFYSA-N 1 3 315.389 0.079 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841790519 671955491 /nfs/dbraw/zinc/95/54/91/671955491.db2.gz DSAOBAGPEOCMCP-RBSFLKMASA-N 1 3 312.458 0.864 20 0 DCADHO [NH3+][C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000841791014 671956416 /nfs/dbraw/zinc/95/64/16/671956416.db2.gz LLYUBGGYPHVCCE-HRCADAONSA-N 1 3 318.421 0.849 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016052 671974801 /nfs/dbraw/zinc/97/48/01/671974801.db2.gz RBBHAOCEGFUZLJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842097845 671981991 /nfs/dbraw/zinc/98/19/91/671981991.db2.gz OGKZKSUSCUWLGO-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCCC[NH3+] ZINC000842221872 671996688 /nfs/dbraw/zinc/99/66/88/671996688.db2.gz AQHJYQUBCGMDGC-UHFFFAOYSA-N 1 3 320.437 0.084 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843488591 672103763 /nfs/dbraw/zinc/10/37/63/672103763.db2.gz GNMVNLKFSFXSNI-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCCCC1 ZINC000846335262 672307432 /nfs/dbraw/zinc/30/74/32/672307432.db2.gz LWRUSRLMIZKSTD-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCCCC1 ZINC000846335261 672307572 /nfs/dbraw/zinc/30/75/72/672307572.db2.gz LWRUSRLMIZKSTD-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001649008486 1158417670 /nfs/dbraw/zinc/41/76/70/1158417670.db2.gz VCNKISOTMOYKRY-BFHYXJOUSA-N 1 3 315.483 0.812 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1C)N(C)C ZINC001020368614 693784243 /nfs/dbraw/zinc/78/42/43/693784243.db2.gz SHLTZEFXSWZXFN-ZQDZILKHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1C)N(C)C ZINC001020368614 693784247 /nfs/dbraw/zinc/78/42/47/693784247.db2.gz SHLTZEFXSWZXFN-ZQDZILKHSA-N 1 3 324.469 0.384 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001024264189 693805547 /nfs/dbraw/zinc/80/55/47/693805547.db2.gz NDSFAQWRTQHOCP-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001024264189 693805552 /nfs/dbraw/zinc/80/55/52/693805552.db2.gz NDSFAQWRTQHOCP-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO CN(CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000954324521 685995323 /nfs/dbraw/zinc/99/53/23/685995323.db2.gz VQPBFFZFZONULP-CYBMUJFWSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000954324521 685995325 /nfs/dbraw/zinc/99/53/25/685995325.db2.gz VQPBFFZFZONULP-CYBMUJFWSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC(N(C)C(=O)CN3CCCC3)C2)C1 ZINC000954325058 685995714 /nfs/dbraw/zinc/99/57/14/685995714.db2.gz WMBACIVAIJMTOG-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)CN3CCCC3)C2)C1 ZINC000954325058 685995716 /nfs/dbraw/zinc/99/57/16/685995716.db2.gz WMBACIVAIJMTOG-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)cn1 ZINC000959915811 688259636 /nfs/dbraw/zinc/25/96/36/688259636.db2.gz STMWMYCLYPMRRB-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O)N(C)C ZINC000960044802 688287475 /nfs/dbraw/zinc/28/74/75/688287475.db2.gz VIHHZRFLCFHHJA-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC000960130125 688307271 /nfs/dbraw/zinc/30/72/71/688307271.db2.gz FOEZMZHXSPVWAS-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961285941 688588199 /nfs/dbraw/zinc/58/81/99/688588199.db2.gz VZEAHSPSZIKTLY-ZBKZBXIDSA-N 1 3 317.433 0.306 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961285941 688588201 /nfs/dbraw/zinc/58/82/01/688588201.db2.gz VZEAHSPSZIKTLY-ZBKZBXIDSA-N 1 3 317.433 0.306 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)C1 ZINC000961767438 688727334 /nfs/dbraw/zinc/72/73/34/688727334.db2.gz XIEQGFZGIQWCEX-KMANFZQXSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)C1 ZINC000961767438 688727336 /nfs/dbraw/zinc/72/73/36/688727336.db2.gz XIEQGFZGIQWCEX-KMANFZQXSA-N 1 3 321.465 0.801 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000962710991 688969711 /nfs/dbraw/zinc/96/97/11/688969711.db2.gz PTOILDFYWNBGBL-ROKHWSDSSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962710991 688969712 /nfs/dbraw/zinc/96/97/12/688969712.db2.gz PTOILDFYWNBGBL-ROKHWSDSSA-N 1 3 305.426 0.356 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1C ZINC000962709032 688969802 /nfs/dbraw/zinc/96/98/02/688969802.db2.gz LBBVDQLFFMKLNX-SLTAFYQDSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1C ZINC000962709032 688969804 /nfs/dbraw/zinc/96/98/04/688969804.db2.gz LBBVDQLFFMKLNX-SLTAFYQDSA-N 1 3 319.453 0.665 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962772690 688977591 /nfs/dbraw/zinc/97/75/91/688977591.db2.gz JKARAFOBASTGDM-ZSHCYNCHSA-N 1 3 303.406 0.401 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962772690 688977594 /nfs/dbraw/zinc/97/75/94/688977594.db2.gz JKARAFOBASTGDM-ZSHCYNCHSA-N 1 3 303.406 0.401 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)O)C2 ZINC000965885877 689570517 /nfs/dbraw/zinc/57/05/17/689570517.db2.gz FQTREAXXEYMWSN-ZJMBPCIDSA-N 1 3 306.410 0.658 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000967925076 690124603 /nfs/dbraw/zinc/12/46/03/690124603.db2.gz NGWSNOLVZBNQFA-CVEARBPZSA-N 1 3 319.453 0.785 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000968850973 690405467 /nfs/dbraw/zinc/40/54/67/690405467.db2.gz IVFJKGQBHSXRRW-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000968850973 690405471 /nfs/dbraw/zinc/40/54/71/690405471.db2.gz IVFJKGQBHSXRRW-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015323019 692263803 /nfs/dbraw/zinc/26/38/03/692263803.db2.gz GXCANVRQEJVMNY-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015323019 692263808 /nfs/dbraw/zinc/26/38/08/692263808.db2.gz GXCANVRQEJVMNY-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015324714 692264638 /nfs/dbraw/zinc/26/46/38/692264638.db2.gz PMZVJODZQVBVQG-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015324714 692264641 /nfs/dbraw/zinc/26/46/41/692264641.db2.gz PMZVJODZQVBVQG-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713246 692411834 /nfs/dbraw/zinc/41/18/34/692411834.db2.gz LDPLXPDOMZSBBN-PBHICJAKSA-N 1 3 319.449 0.976 20 0 DCADHO COC[C@H](C)N1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826812 692457303 /nfs/dbraw/zinc/45/73/03/692457303.db2.gz JJDIPFOPHBJAQQ-DZGCQCFKSA-N 1 3 323.441 0.284 20 0 DCADHO Cn1cc(CCN2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001015999724 692542192 /nfs/dbraw/zinc/54/21/92/692542192.db2.gz WXUMOOYGTBXOOM-GOEBONIOSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001015999724 692542195 /nfs/dbraw/zinc/54/21/95/692542195.db2.gz WXUMOOYGTBXOOM-GOEBONIOSA-N 1 3 319.453 0.495 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016652572 692740210 /nfs/dbraw/zinc/74/02/10/692740210.db2.gz UOAMTWYNUGHWFA-GJZGRUSLSA-N 1 3 309.454 0.824 20 0 DCADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN2CCCC2)C1)[C@H]1CCNC1=O ZINC001017259407 692876017 /nfs/dbraw/zinc/87/60/17/692876017.db2.gz DWRSYGYIFZSEKF-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN2CCCC2)C1)[C@H]1CCNC1=O ZINC001017259407 692876021 /nfs/dbraw/zinc/87/60/21/692876021.db2.gz DWRSYGYIFZSEKF-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)CCC1 ZINC001018962643 693298642 /nfs/dbraw/zinc/29/86/42/693298642.db2.gz HYTKHTDWAKZIRX-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC001019290165 693422426 /nfs/dbraw/zinc/42/24/26/693422426.db2.gz TYSMBDUKBYNVSZ-KKUMJFAQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC001019290165 693422430 /nfs/dbraw/zinc/42/24/30/693422430.db2.gz TYSMBDUKBYNVSZ-KKUMJFAQSA-N 1 3 319.453 0.841 20 0 DCADHO CN1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001019816150 693596384 /nfs/dbraw/zinc/59/63/84/693596384.db2.gz TVOLDAAOVJEONH-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)CC[N@@H+]1C ZINC001020174420 693722519 /nfs/dbraw/zinc/72/25/19/693722519.db2.gz AHMVDQABFXZROK-NZBPQXDJSA-N 1 3 320.441 0.282 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)CC[N@H+]1C ZINC001020174420 693722523 /nfs/dbraw/zinc/72/25/23/693722523.db2.gz AHMVDQABFXZROK-NZBPQXDJSA-N 1 3 320.441 0.282 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072678003 694651495 /nfs/dbraw/zinc/65/14/95/694651495.db2.gz WYNAAAQWBAYLNA-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001072800950 694666819 /nfs/dbraw/zinc/66/68/19/694666819.db2.gz ILRKEPBJYLZHNW-GXTWGEPZSA-N 1 3 321.425 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001072800950 694666820 /nfs/dbraw/zinc/66/68/20/694666820.db2.gz ILRKEPBJYLZHNW-GXTWGEPZSA-N 1 3 321.425 0.257 20 0 DCADHO CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073709651 694770652 /nfs/dbraw/zinc/77/06/52/694770652.db2.gz CGVGBFZTYXKWSC-DGNOSDGRSA-N 1 3 323.437 0.077 20 0 DCADHO CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073709651 694770653 /nfs/dbraw/zinc/77/06/53/694770653.db2.gz CGVGBFZTYXKWSC-DGNOSDGRSA-N 1 3 323.437 0.077 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)C1=O ZINC001074803677 694924314 /nfs/dbraw/zinc/92/43/14/694924314.db2.gz JYRREBRCVBHULD-ZQDZILKHSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001074877840 694928085 /nfs/dbraw/zinc/92/80/85/694928085.db2.gz OUQSJFZGGIXLGK-KKUMJFAQSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)[C@@H]1C)N(C)C ZINC001074885797 694928537 /nfs/dbraw/zinc/92/85/37/694928537.db2.gz XNXZSUJMSQNIRF-BPUTZDHNSA-N 1 3 321.469 0.882 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)[C@@H]1C)N(C)C ZINC001074885395 694928602 /nfs/dbraw/zinc/92/86/02/694928602.db2.gz BACILDMLTKQZHT-AJNGGQMLSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C)N(C)C ZINC001074885493 694928612 /nfs/dbraw/zinc/92/86/12/694928612.db2.gz HLLGYLBZQQXLPZ-FQUUOJAGSA-N 1 3 310.442 0.136 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106619 694938344 /nfs/dbraw/zinc/93/83/44/694938344.db2.gz FOQCCBKPATZPER-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106619 694938345 /nfs/dbraw/zinc/93/83/45/694938345.db2.gz FOQCCBKPATZPER-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)CC[NH+](C)C ZINC001076951009 695107121 /nfs/dbraw/zinc/10/71/21/695107121.db2.gz QKWJHKALLYJPHP-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@H+](C)CCc2ccnn2C)CCC1 ZINC001751988964 1157764245 /nfs/dbraw/zinc/76/42/45/1157764245.db2.gz HFFBIJZGGXUFMJ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@@H+](C)CCc2ccnn2C)CCC1 ZINC001751988964 1157764248 /nfs/dbraw/zinc/76/42/48/1157764248.db2.gz HFFBIJZGGXUFMJ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001691479593 1157798522 /nfs/dbraw/zinc/79/85/22/1157798522.db2.gz YUMZZOYQDXLKJU-OLZOCXBDSA-N 1 3 308.430 0.154 20 0 DCADHO CC(C)N1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001752355647 1157916762 /nfs/dbraw/zinc/91/67/62/1157916762.db2.gz XXRZWTXSGJIOKZ-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)N1CCN(CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752355647 1157916767 /nfs/dbraw/zinc/91/67/67/1157916767.db2.gz XXRZWTXSGJIOKZ-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CN1CCC(O)(C[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000397490230 1158100582 /nfs/dbraw/zinc/10/05/82/1158100582.db2.gz HWRIWRCZWXOMRA-HNNXBMFYSA-N 1 3 319.405 0.344 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001648975104 1158223052 /nfs/dbraw/zinc/22/30/52/1158223052.db2.gz DYLGZDHJFNSJCF-YOEHRIQHSA-N 1 3 309.454 0.992 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691619695 1158360327 /nfs/dbraw/zinc/36/03/27/1158360327.db2.gz WSQYDTIRCAAEKS-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC/C=C/CN[C@H]1CCCNC1=O ZINC001483097743 1158373369 /nfs/dbraw/zinc/37/33/69/1158373369.db2.gz MGUWLYVXWARVGS-FAAWYNLUSA-N 1 3 322.453 0.403 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001446442858 1159417577 /nfs/dbraw/zinc/41/75/77/1159417577.db2.gz PMUYDHMWYDTCEB-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001446442858 1159417579 /nfs/dbraw/zinc/41/75/79/1159417579.db2.gz PMUYDHMWYDTCEB-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001447551876 1159656813 /nfs/dbraw/zinc/65/68/13/1159656813.db2.gz SSKHXTJWJAQVHY-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CCOCCO)C1 ZINC001565973407 1159934489 /nfs/dbraw/zinc/93/44/89/1159934489.db2.gz ZJYFSUIGDYBBSL-HIFRSBDPSA-N 1 3 324.425 0.178 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001567140427 1160254356 /nfs/dbraw/zinc/25/43/56/1160254356.db2.gz LSIOTNRHKGPAKT-CZUORRHYSA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001567140428 1160254980 /nfs/dbraw/zinc/25/49/80/1160254980.db2.gz LSIOTNRHKGPAKT-XJKSGUPXSA-N 1 3 315.433 0.629 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CCN1CCCC1=O ZINC001568204956 1160598485 /nfs/dbraw/zinc/59/84/85/1160598485.db2.gz HCVMZHHFMNBQRH-GFCCVEGCSA-N 1 3 321.425 0.225 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC/C=C\C[NH2+]CCCO)C1 ZINC001568919720 1160865738 /nfs/dbraw/zinc/86/57/38/1160865738.db2.gz HNGUZOGVVATMFG-AWFCHZOYSA-N 1 3 315.433 0.843 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001568931235 1160875563 /nfs/dbraw/zinc/87/55/63/1160875563.db2.gz XYXNIFVLMMYADI-IHVVCDCBSA-N 1 3 310.442 0.115 20 0 DCADHO C[C@H](C[NH2+]CCCO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001569019018 1160919908 /nfs/dbraw/zinc/91/99/08/1160919908.db2.gz ITORRVAFXLLTKH-DOMZBBRYSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCn2cncn2)C1 ZINC001569556177 1161130165 /nfs/dbraw/zinc/13/01/65/1161130165.db2.gz XSAANTFPWNDTHG-HUUCEWRRSA-N 1 3 320.441 0.201 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001569946342 1161339180 /nfs/dbraw/zinc/33/91/80/1161339180.db2.gz LNBJFEFTRWSDKA-AWEZNQCLSA-N 1 3 303.422 0.487 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H](N)C(C)(C)C)CC1 ZINC001573859069 1163569752 /nfs/dbraw/zinc/56/97/52/1163569752.db2.gz PAAVNAKHMDWWES-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)ccc1=O ZINC001573864162 1163571267 /nfs/dbraw/zinc/57/12/67/1163571267.db2.gz VCBRPDDJGFNRIS-XJKSGUPXSA-N 1 3 304.394 0.348 20 0 DCADHO C[C@@H](CNC(=O)N1CCC2(C[NH2+]C2)CC1)CN1CCN(C)CC1 ZINC001576016828 1164212375 /nfs/dbraw/zinc/21/23/75/1164212375.db2.gz FGEWUIFOTJWCGO-HNNXBMFYSA-N 1 3 323.485 0.265 20 0 DCADHO C[NH+](C)CCC(=O)NCCCNC(=O)CN1CCC(C)(C)C1 ZINC001576079575 1164233730 /nfs/dbraw/zinc/23/37/30/1164233730.db2.gz OTLLAMJDUVLBJU-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCc1c[nH]nn1 ZINC001576106751 1164241552 /nfs/dbraw/zinc/24/15/52/1164241552.db2.gz FOQQXIHZLQELQL-TZMCWYRMSA-N 1 3 308.430 0.473 20 0 DCADHO C[C@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC001576732502 1164446139 /nfs/dbraw/zinc/44/61/39/1164446139.db2.gz WONOWLRDUKLVLB-JSGCOSHPSA-N 1 3 311.451 0.793 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](NCc2cn[nH]n2)C2CC2)CC1 ZINC001576877332 1164512215 /nfs/dbraw/zinc/51/22/15/1164512215.db2.gz UJJSZGVOUVAESA-CQSZACIVSA-N 1 3 306.414 0.131 20 0 DCADHO CCCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCN(C)C1 ZINC001577488866 1164701678 /nfs/dbraw/zinc/70/16/78/1164701678.db2.gz KWIGSALERPLPBZ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC(C)(C)C[NH3+])CC1 ZINC001577684789 1164765067 /nfs/dbraw/zinc/76/50/67/1164765067.db2.gz KNKZEKGCPISYJS-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H](NCc2cn[nH]n2)C1 ZINC001577805040 1164801302 /nfs/dbraw/zinc/80/13/02/1164801302.db2.gz GXRSRXREJSNNJE-HDJSIYSDSA-N 1 3 320.441 0.808 20 0 DCADHO CCOC(=O)[C@@H](CC1C[NH2+]C1)NC(=O)CN(C)CC(C)(C)C ZINC001577911131 1164835547 /nfs/dbraw/zinc/83/55/47/1164835547.db2.gz LZXYVQULYBHBHL-CYBMUJFWSA-N 1 3 313.442 0.622 20 0 DCADHO CCOC(=O)C1(CNC[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC001577927662 1164845940 /nfs/dbraw/zinc/84/59/40/1164845940.db2.gz CJFBLUMEOGXQIY-CYBMUJFWSA-N 1 3 308.426 0.779 20 0 DCADHO CCOC(=O)C1(C[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CC1 ZINC001577927662 1164845945 /nfs/dbraw/zinc/84/59/45/1164845945.db2.gz CJFBLUMEOGXQIY-CYBMUJFWSA-N 1 3 308.426 0.779 20 0 DCADHO CCc1nnc(N2CCN(C3CCOCC3)CC2)n1CCC[NH3+] ZINC001578324396 1164974562 /nfs/dbraw/zinc/97/45/62/1164974562.db2.gz OHBKTQDMFGTSOC-UHFFFAOYSA-N 1 3 322.457 0.490 20 0 DCADHO CN(C)CCn1nccc1NC(=O)c1ccn(CCC[NH3+])n1 ZINC001578419026 1165008467 /nfs/dbraw/zinc/00/84/67/1165008467.db2.gz LATPCMXZUNAPCH-UHFFFAOYSA-N 1 3 305.386 0.242 20 0 DCADHO CN(C)S(=O)(=O)CCCN[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001578420347 1165008952 /nfs/dbraw/zinc/00/89/52/1165008952.db2.gz HPJSDFKPGYEVJC-RWMBFGLXSA-N 1 3 303.472 0.634 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001578451776 1165021849 /nfs/dbraw/zinc/02/18/49/1165021849.db2.gz NDFVFCOANCQXHU-QWHCGFSZSA-N 1 3 306.414 0.369 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001578533191 1165048166 /nfs/dbraw/zinc/04/81/66/1165048166.db2.gz ATKSVZPIOXOKKX-UHFFFAOYSA-N 1 3 323.485 0.535 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001578639910 1165073410 /nfs/dbraw/zinc/07/34/10/1165073410.db2.gz DCNLHVBPFXTFMG-GYTBAZASSA-N 1 3 311.470 0.926 20 0 DCADHO COCC[C@H]([NH3+])CN[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC001579001895 1165185095 /nfs/dbraw/zinc/18/50/95/1165185095.db2.gz MXJGSYDYALBIDC-ZWKOTPCHSA-N 1 3 320.481 0.929 20 0 DCADHO COCC[C@H]1CNCCN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001579011321 1165188459 /nfs/dbraw/zinc/18/84/59/1165188459.db2.gz XSVOGBAZLUYOLY-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[C@H]1CNCCN1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC001579011321 1165188466 /nfs/dbraw/zinc/18/84/66/1165188466.db2.gz XSVOGBAZLUYOLY-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO Cc1c(C[NH3+])c(NC(=O)N[C@@H]2CCCN(CCCO)C2)nn1C ZINC001579531634 1165340672 /nfs/dbraw/zinc/34/06/72/1165340672.db2.gz XWYJWCGFMAXQAQ-GFCCVEGCSA-N 1 3 324.429 0.156 20 0 DCADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)C1 ZINC001580402140 1165593207 /nfs/dbraw/zinc/59/32/07/1165593207.db2.gz OFBGHYSHCLDIAI-KKBGWUFQSA-N 1 3 307.438 0.608 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001580509285 1165625768 /nfs/dbraw/zinc/62/57/68/1165625768.db2.gz TURBVGLKGZZJEA-SLUKUZTOSA-N 1 3 321.465 0.965 20 0 DCADHO O=C(CNC(=O)C1=CCC[NH2+]CC1)NCCN1CCCCC1 ZINC001580551465 1165636046 /nfs/dbraw/zinc/63/60/46/1165636046.db2.gz JFQZZTXIGZNIIJ-UHFFFAOYSA-N 1 3 308.426 0.015 20 0 DCADHO O=C(NC1(CCO)C[NH2+]C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001580595542 1165648189 /nfs/dbraw/zinc/64/81/89/1165648189.db2.gz LDMIRMZSBDUSPT-HNNXBMFYSA-N 1 3 318.421 0.134 20 0 DCADHO O=C1O[C@H](CNCc2cnn3c2CCC3)CC12CC[NH2+]CC2 ZINC001580859264 1165741030 /nfs/dbraw/zinc/74/10/30/1165741030.db2.gz XSBYQYUDCIWFTK-ZDUSSCGKSA-N 1 3 304.394 0.604 20 0 DCADHO OCCCN1CCC[C@H](NCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001580882756 1165750771 /nfs/dbraw/zinc/75/07/71/1165750771.db2.gz CCOBVJVVFLMZSF-GJZGRUSLSA-N 1 3 322.457 0.139 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C ZINC001583525880 1166263904 /nfs/dbraw/zinc/26/39/04/1166263904.db2.gz ZPDGRYNLBOFSGI-VUBDOFJKSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C ZINC001583525880 1166263910 /nfs/dbraw/zinc/26/39/10/1166263910.db2.gz ZPDGRYNLBOFSGI-VUBDOFJKSA-N 1 3 322.453 0.354 20 0 DCADHO [NH3+][C@H]1C[C@@H](C[NH+]2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001592752063 1167631059 /nfs/dbraw/zinc/63/10/59/1167631059.db2.gz LFZMTLIIFRWDOT-TXEJJXNPSA-N 1 3 314.397 0.121 20 0 DCADHO COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1-c1nnn[n-]1 ZINC001605217682 1169877186 /nfs/dbraw/zinc/87/71/86/1169877186.db2.gz ICJDVBCPZNLZLW-LLVKDONJSA-N 1 3 302.382 0.965 20 0 DCADHO COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1-c1nn[n-]n1 ZINC001605217682 1169877192 /nfs/dbraw/zinc/87/71/92/1169877192.db2.gz ICJDVBCPZNLZLW-LLVKDONJSA-N 1 3 302.382 0.965 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)CC1 ZINC001646743016 1172504686 /nfs/dbraw/zinc/50/46/86/1172504686.db2.gz JDIYSZDVAOJBHU-IXDOHACOSA-N 1 3 322.497 0.908 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001646800729 1172540123 /nfs/dbraw/zinc/54/01/23/1172540123.db2.gz VJVCLURAYNQEFZ-NWDGAFQWSA-N 1 3 301.456 0.423 20 0 DCADHO O=C([C@H]1CC[NH2+]1)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001646810502 1172545539 /nfs/dbraw/zinc/54/55/39/1172545539.db2.gz LTFSOVJKJWAYCH-KCQAQPDRSA-N 1 3 301.390 0.857 20 0 DCADHO CC1(C)CCN(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC001646819962 1172549194 /nfs/dbraw/zinc/54/91/94/1172549194.db2.gz PKLVFYGYPLCLAR-UHFFFAOYSA-N 1 3 320.441 0.664 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001647225649 1172750248 /nfs/dbraw/zinc/75/02/48/1172750248.db2.gz FEOALTFBCPXUNW-CQSZACIVSA-N 1 3 319.453 0.580 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC001650158703 1173489024 /nfs/dbraw/zinc/48/90/24/1173489024.db2.gz OKLYURJWDQHCEI-HNNXBMFYSA-N 1 3 312.458 0.929 20 0 DCADHO NC(=O)[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Cc1ccc(F)cc1 ZINC001650159138 1173489721 /nfs/dbraw/zinc/48/97/21/1173489721.db2.gz UGBJEOQEGLHOKZ-HOCLYGCPSA-N 1 3 323.412 0.516 20 0 DCADHO CN1CCN(CCNC(=O)N[C@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC001650169292 1173494614 /nfs/dbraw/zinc/49/46/14/1173494614.db2.gz HZGDUFWEBIOLAT-ZDUSSCGKSA-N 1 3 311.474 0.310 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)NC[C@H]1CCCCC[NH2+]1 ZINC001650185205 1173505125 /nfs/dbraw/zinc/50/51/25/1173505125.db2.gz LBVRDEBAUISFIA-CABCVRRESA-N 1 3 312.458 0.665 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC001650346660 1173583907 /nfs/dbraw/zinc/58/39/07/1173583907.db2.gz OJBLXXXQEGTCDI-XUWVNRHRSA-N 1 3 308.470 0.754 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC001650346660 1173583909 /nfs/dbraw/zinc/58/39/09/1173583909.db2.gz OJBLXXXQEGTCDI-XUWVNRHRSA-N 1 3 308.470 0.754 20 0 DCADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCCO ZINC001656448662 1173862964 /nfs/dbraw/zinc/86/29/64/1173862964.db2.gz UALDPPARCKUKIE-HIFRSBDPSA-N 1 3 308.426 0.941 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)N2CCC2)C1 ZINC001664134356 1174400407 /nfs/dbraw/zinc/40/04/07/1174400407.db2.gz BUHYZCHXLGAFBJ-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)N2CCC2)C1 ZINC001664134356 1174400409 /nfs/dbraw/zinc/40/04/09/1174400409.db2.gz BUHYZCHXLGAFBJ-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001666476263 1174603900 /nfs/dbraw/zinc/60/39/00/1174603900.db2.gz NREFQKPDPNBFIC-HZPDHXFCSA-N 1 3 321.469 0.883 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCO[C@H]1CC1(F)F ZINC001668745879 1174829637 /nfs/dbraw/zinc/82/96/37/1174829637.db2.gz NVXSNVUNGJCHFJ-XDYXTIEYSA-N 1 3 317.380 0.767 20 0 DCADHO CCN1CC[C@@H](NC/C=C/CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001669001066 1174875218 /nfs/dbraw/zinc/87/52/18/1174875218.db2.gz KEZQXOLQYYEGMF-VBROQKIQSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CCCCN1C ZINC001670213079 1174991685 /nfs/dbraw/zinc/99/16/85/1174991685.db2.gz BDBCQXGQDOEOIX-AWEZNQCLSA-N 1 3 308.430 0.238 20 0 DCADHO COCCOCCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001671692887 1175031125 /nfs/dbraw/zinc/03/11/25/1175031125.db2.gz FYNXQNHXPGAFPZ-GDBMZVCRSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001671692887 1175031129 /nfs/dbraw/zinc/03/11/29/1175031129.db2.gz FYNXQNHXPGAFPZ-GDBMZVCRSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001686661276 1176185853 /nfs/dbraw/zinc/18/58/53/1176185853.db2.gz VQYACTJCJDSFRS-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001686661276 1176185856 /nfs/dbraw/zinc/18/58/56/1176185856.db2.gz VQYACTJCJDSFRS-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699210847 1177943062 /nfs/dbraw/zinc/94/30/62/1177943062.db2.gz LYKKDOVCXZPCGE-UHFFFAOYSA-N 1 3 306.410 0.285 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001699264375 1178004451 /nfs/dbraw/zinc/00/44/51/1178004451.db2.gz YTMAYIQWFQWNSK-AILAAAALSA-N 1 3 322.453 0.256 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001699264375 1178004461 /nfs/dbraw/zinc/00/44/61/1178004461.db2.gz YTMAYIQWFQWNSK-AILAAAALSA-N 1 3 322.453 0.256 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001700080460 1178471199 /nfs/dbraw/zinc/47/11/99/1178471199.db2.gz TVKQKKPSWCPLBV-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001700591999 1178670912 /nfs/dbraw/zinc/67/09/12/1178670912.db2.gz KKNQIOSSTMKMJH-FPCVCCKLSA-N 1 3 309.454 0.659 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@@H](C)C3)[C@@H]2C1 ZINC001700591999 1178670918 /nfs/dbraw/zinc/67/09/18/1178670918.db2.gz KKNQIOSSTMKMJH-FPCVCCKLSA-N 1 3 309.454 0.659 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001703371824 1179506508 /nfs/dbraw/zinc/50/65/08/1179506508.db2.gz GYBFELXZDDYTBJ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001703371824 1179506513 /nfs/dbraw/zinc/50/65/13/1179506513.db2.gz GYBFELXZDDYTBJ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)CN1CCCC1)[NH+](C)C ZINC001705042913 1180239402 /nfs/dbraw/zinc/23/94/02/1180239402.db2.gz UEWRDVSUDNRFPC-KJPDOMRESA-N 1 3 324.469 0.457 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001713283719 1180751739 /nfs/dbraw/zinc/75/17/39/1180751739.db2.gz PSHIICJHXUDCHB-NPCUJANDSA-N 1 3 309.454 0.942 20 0 DCADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001713283719 1180751745 /nfs/dbraw/zinc/75/17/45/1180751745.db2.gz PSHIICJHXUDCHB-NPCUJANDSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cncn1C ZINC001713590772 1180948337 /nfs/dbraw/zinc/94/83/37/1180948337.db2.gz PZLCIHZALNGEGE-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cncn1C ZINC001713590772 1180948343 /nfs/dbraw/zinc/94/83/43/1180948343.db2.gz PZLCIHZALNGEGE-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC001714562865 1181418030 /nfs/dbraw/zinc/41/80/30/1181418030.db2.gz MSKHTFTXOBRFAX-HIFRSBDPSA-N 1 3 307.442 0.493 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714752294 1181524147 /nfs/dbraw/zinc/52/41/47/1181524147.db2.gz GUBPFDXQFYGBBA-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001714752294 1181524150 /nfs/dbraw/zinc/52/41/50/1181524150.db2.gz GUBPFDXQFYGBBA-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001714882132 1181582918 /nfs/dbraw/zinc/58/29/18/1181582918.db2.gz GUMWDBKIOJLHOO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)CNC/C=C\Cl)C1 ZINC001715598830 1181886454 /nfs/dbraw/zinc/88/64/54/1181886454.db2.gz LAADPKMPLSUGMT-PSVOHZHUSA-N 1 3 317.861 0.928 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](O)CNC/C=C\Cl)C1 ZINC001715598830 1181886456 /nfs/dbraw/zinc/88/64/56/1181886456.db2.gz LAADPKMPLSUGMT-PSVOHZHUSA-N 1 3 317.861 0.928 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001715775193 1181990872 /nfs/dbraw/zinc/99/08/72/1181990872.db2.gz JYZMQAGCHGUMGV-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001715775193 1181990877 /nfs/dbraw/zinc/99/08/77/1181990877.db2.gz JYZMQAGCHGUMGV-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001715899036 1182087428 /nfs/dbraw/zinc/08/74/28/1182087428.db2.gz ZSJDNYPKKQGROU-YWVDXFKGSA-N 1 3 320.437 0.011 20 0 DCADHO CCN(CCNCC(=O)N(C)C(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716253946 1182279803 /nfs/dbraw/zinc/27/98/03/1182279803.db2.gz NMFXMMOKRHPVPX-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNCC(=O)N(C)C(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716253946 1182279807 /nfs/dbraw/zinc/27/98/07/1182279807.db2.gz NMFXMMOKRHPVPX-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNCc1ccc(OC)nc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716254048 1182280191 /nfs/dbraw/zinc/28/01/91/1182280191.db2.gz RPAYPISFTZALNB-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO CCN(CCNCc1ccc(OC)nc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716254048 1182280194 /nfs/dbraw/zinc/28/01/94/1182280194.db2.gz RPAYPISFTZALNB-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001716378853 1182366072 /nfs/dbraw/zinc/36/60/72/1182366072.db2.gz MNPOMCDZTMQZNL-LLYBFZRZSA-N 1 3 324.469 0.601 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNCCF ZINC001717061917 1182659261 /nfs/dbraw/zinc/65/92/61/1182659261.db2.gz YZQOSUQYQSLBFQ-CQSZACIVSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNCCF ZINC001717061917 1182659263 /nfs/dbraw/zinc/65/92/63/1182659263.db2.gz YZQOSUQYQSLBFQ-CQSZACIVSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1C ZINC001720491527 1183628163 /nfs/dbraw/zinc/62/81/63/1183628163.db2.gz XSXLRENMPNQGFE-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1C ZINC001720491527 1183628167 /nfs/dbraw/zinc/62/81/67/1183628167.db2.gz XSXLRENMPNQGFE-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccnn1C)N(C)C ZINC001723181676 1184273575 /nfs/dbraw/zinc/27/35/75/1184273575.db2.gz STBDNMNOJSQFAC-HNNXBMFYSA-N 1 3 309.458 0.944 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001731323500 1185267785 /nfs/dbraw/zinc/26/77/85/1185267785.db2.gz YRRQGGOLPGRDKS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001731323500 1185267787 /nfs/dbraw/zinc/26/77/87/1185267787.db2.gz YRRQGGOLPGRDKS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCC(F)F)C1 ZINC001731654052 1185431213 /nfs/dbraw/zinc/43/12/13/1185431213.db2.gz QUPMCHBLNGNSEQ-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO CN1CCC[C@@H](NC2(CNC(=O)CCCC[NH+](C)C)CC2)C1=O ZINC001733262860 1186207448 /nfs/dbraw/zinc/20/74/48/1186207448.db2.gz KKXQULMQULTBGD-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)CCCC[NH+](C)C ZINC001734431401 1186651914 /nfs/dbraw/zinc/65/19/14/1186651914.db2.gz ZRATYFIVZZVTDB-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNC(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC001742900285 1188074482 /nfs/dbraw/zinc/07/44/82/1188074482.db2.gz CDUIKSIQMXQNAF-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNC(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC001742900285 1188074486 /nfs/dbraw/zinc/07/44/86/1188074486.db2.gz CDUIKSIQMXQNAF-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001747135508 1188242559 /nfs/dbraw/zinc/24/25/59/1188242559.db2.gz JLODUSFDBZPBIB-JZIMQPMSSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001753029125 1188480419 /nfs/dbraw/zinc/48/04/19/1188480419.db2.gz VRBRPJRYVLWZGR-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001753029125 1188480421 /nfs/dbraw/zinc/48/04/21/1188480421.db2.gz VRBRPJRYVLWZGR-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753926475 1188685150 /nfs/dbraw/zinc/68/51/50/1188685150.db2.gz SROKHFIXQARVHS-HUUCEWRRSA-N 1 3 315.433 0.820 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753926475 1188685153 /nfs/dbraw/zinc/68/51/53/1188685153.db2.gz SROKHFIXQARVHS-HUUCEWRRSA-N 1 3 315.433 0.820 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753965799 1188698894 /nfs/dbraw/zinc/69/88/94/1188698894.db2.gz IUCZGVGPAWCQRX-BXUZGUMPSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001754133405 1188754800 /nfs/dbraw/zinc/75/48/00/1188754800.db2.gz JEKZEZPQKINWGP-WHJWBVKISA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001754133405 1188754804 /nfs/dbraw/zinc/75/48/04/1188754804.db2.gz JEKZEZPQKINWGP-WHJWBVKISA-N 1 3 324.469 0.600 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@H]2CCCN(C)C2=O)CCC1 ZINC001754375827 1188837332 /nfs/dbraw/zinc/83/73/32/1188837332.db2.gz PQJHUFFMRYMVBJ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)NCCCNC(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC001758197673 1189777679 /nfs/dbraw/zinc/77/76/79/1189777679.db2.gz QGIUWODGOLWVCL-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456478 1190408360 /nfs/dbraw/zinc/40/83/60/1190408360.db2.gz RJVVWDSILAYZPN-TZMCWYRMSA-N 1 3 311.386 0.472 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456478 1190408362 /nfs/dbraw/zinc/40/83/62/1190408362.db2.gz RJVVWDSILAYZPN-TZMCWYRMSA-N 1 3 311.386 0.472 20 0 DCADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456478 1190408364 /nfs/dbraw/zinc/40/83/64/1190408364.db2.gz RJVVWDSILAYZPN-TZMCWYRMSA-N 1 3 311.386 0.472 20 0 DCADHO O=C(CCC12CC(C1)C[NH2+]2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001772315727 1190661176 /nfs/dbraw/zinc/66/11/76/1190661176.db2.gz JVJVZFRJPGBSHF-DGNOSDGRSA-N 1 3 307.438 0.576 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC(C)(C)C ZINC001127466437 751406810 /nfs/dbraw/zinc/40/68/10/751406810.db2.gz FGKPHBCDMWJLNL-JSGCOSHPSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466486 751406893 /nfs/dbraw/zinc/40/68/93/751406893.db2.gz MPAANNDYKCHFNI-DZGCQCFKSA-N 1 3 324.469 0.195 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC001106910487 751552342 /nfs/dbraw/zinc/55/23/42/751552342.db2.gz ABGYLKIZHLPLAD-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C1 ZINC001106910760 751553438 /nfs/dbraw/zinc/55/34/38/751553438.db2.gz NMPVTYPQFMVOLY-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCC[C@H]2C)CC[N@@H+]1C ZINC001127685188 751628321 /nfs/dbraw/zinc/62/83/21/751628321.db2.gz GXGCRAOMZYASSD-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCC[C@H]2C)CC[N@H+]1C ZINC001127685188 751628329 /nfs/dbraw/zinc/62/83/29/751628329.db2.gz GXGCRAOMZYASSD-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001127691051 751639767 /nfs/dbraw/zinc/63/97/67/751639767.db2.gz ZJCDIIAOBYFLNZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001127691051 751639775 /nfs/dbraw/zinc/63/97/75/751639775.db2.gz ZJCDIIAOBYFLNZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001089869318 751713319 /nfs/dbraw/zinc/71/33/19/751713319.db2.gz JQIVQCPBLMTCPC-XZDPQHSOSA-N 1 3 318.421 0.767 20 0 DCADHO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001089869318 751713322 /nfs/dbraw/zinc/71/33/22/751713322.db2.gz JQIVQCPBLMTCPC-XZDPQHSOSA-N 1 3 318.421 0.767 20 0 DCADHO CNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167223837 747025991 /nfs/dbraw/zinc/02/59/91/747025991.db2.gz BCPIRXMIFQPVMK-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001167480345 747277111 /nfs/dbraw/zinc/27/71/11/747277111.db2.gz AWIYUYXUUNKYPD-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167636269 747439688 /nfs/dbraw/zinc/43/96/88/747439688.db2.gz QQKSPXHVOVFJIU-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001087259444 747573446 /nfs/dbraw/zinc/57/34/46/747573446.db2.gz OQAMUCYHFFXUON-PWSUYJOCSA-N 1 3 307.398 0.106 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001087259444 747573450 /nfs/dbraw/zinc/57/34/50/747573450.db2.gz OQAMUCYHFFXUON-PWSUYJOCSA-N 1 3 307.398 0.106 20 0 DCADHO CC1(C)[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]2CCCN(CC(N)=O)[C@@H]21 ZINC001087317507 747652105 /nfs/dbraw/zinc/65/21/05/747652105.db2.gz JGGAFTFEJKBQAW-MAZHCROVSA-N 1 3 322.453 0.173 20 0 DCADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213859510 748204473 /nfs/dbraw/zinc/20/44/73/748204473.db2.gz DZKYZKKZSARGCC-RBSFLKMASA-N 1 3 313.442 0.180 20 0 DCADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213859510 748204477 /nfs/dbraw/zinc/20/44/77/748204477.db2.gz DZKYZKKZSARGCC-RBSFLKMASA-N 1 3 313.442 0.180 20 0 DCADHO CC[C@H](C(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001067713060 748363891 /nfs/dbraw/zinc/36/38/91/748363891.db2.gz CCZWBDXPZKYXHN-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CCOC(=O)c1cn2cc(NC(=N)NCCCC[NH3+])ncc2n1 ZINC001167878335 748458248 /nfs/dbraw/zinc/45/82/48/748458248.db2.gz JUBSBOMOOQOELK-UHFFFAOYSA-N 1 3 319.369 0.581 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001105362574 748514101 /nfs/dbraw/zinc/51/41/01/748514101.db2.gz FCGINMFGCMBAGJ-UHFFFAOYSA-N 1 3 322.457 0.893 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]2C1 ZINC001088121441 749245542 /nfs/dbraw/zinc/24/55/42/749245542.db2.gz GVCNOMUQGBXPEL-KFWWJZLASA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@@H]2C1 ZINC001088121441 749245547 /nfs/dbraw/zinc/24/55/47/749245547.db2.gz GVCNOMUQGBXPEL-KFWWJZLASA-N 1 3 318.421 0.769 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121593 749247181 /nfs/dbraw/zinc/24/71/81/749247181.db2.gz NLWQFDUPSQMWMP-MJBXVCDLSA-N 1 3 306.410 0.767 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121593 749247187 /nfs/dbraw/zinc/24/71/87/749247187.db2.gz NLWQFDUPSQMWMP-MJBXVCDLSA-N 1 3 306.410 0.767 20 0 DCADHO C[C@H](NC(=O)CN)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001212018915 749742715 /nfs/dbraw/zinc/74/27/15/749742715.db2.gz COTUWCTVAUWDNY-JTQLQIEISA-N 1 3 303.366 0.934 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001168335690 749922105 /nfs/dbraw/zinc/92/21/05/749922105.db2.gz QFLXKJRYUZIHBU-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001083523497 750093801 /nfs/dbraw/zinc/09/38/01/750093801.db2.gz GUVYXVJIYPTCCO-ZACQAIPSSA-N 1 3 321.465 0.965 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001083523497 750093803 /nfs/dbraw/zinc/09/38/03/750093803.db2.gz GUVYXVJIYPTCCO-ZACQAIPSSA-N 1 3 321.465 0.965 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083559756 750175223 /nfs/dbraw/zinc/17/52/23/750175223.db2.gz AYLICTVWKYJFFS-CABCVRRESA-N 1 3 307.438 0.434 20 0 DCADHO Cn1nccc1CC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322013 751111215 /nfs/dbraw/zinc/11/12/15/751111215.db2.gz JKRWREUXJMGYPC-UHFFFAOYSA-N 1 3 321.469 0.933 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001203460135 752666879 /nfs/dbraw/zinc/66/68/79/752666879.db2.gz NCSBOOBVJPKIRX-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001168594977 752670119 /nfs/dbraw/zinc/67/01/19/752670119.db2.gz FLVZKTCBHZWSLX-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCCC1 ZINC001044857415 752903781 /nfs/dbraw/zinc/90/37/81/752903781.db2.gz JFMLAWWTNSAGDZ-HZPDHXFCSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2nccn2C)CCN1C(=O)CN1CCCC1 ZINC001044858704 752905886 /nfs/dbraw/zinc/90/58/86/752905886.db2.gz VCBSPJNCAFKPEG-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2nccn2C)CCN1C(=O)CN1CCCC1 ZINC001044858707 752906104 /nfs/dbraw/zinc/90/61/04/752906104.db2.gz VCBSPJNCAFKPEG-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO O=C(N1CCC[C@H]1CN[C@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001045105504 753048365 /nfs/dbraw/zinc/04/83/65/753048365.db2.gz BFIYAVRUYAUACZ-KBPBESRZSA-N 1 3 320.437 0.084 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001045309323 753139434 /nfs/dbraw/zinc/13/94/34/753139434.db2.gz PHHXZCRLMIZQGR-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001045309323 753139439 /nfs/dbraw/zinc/13/94/39/753139439.db2.gz PHHXZCRLMIZQGR-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001045312065 753141758 /nfs/dbraw/zinc/14/17/58/753141758.db2.gz VOTAZAMDBJJJRQ-OLZOCXBDSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001045312065 753141761 /nfs/dbraw/zinc/14/17/61/753141761.db2.gz VOTAZAMDBJJJRQ-OLZOCXBDSA-N 1 3 306.414 0.145 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046011131 753415388 /nfs/dbraw/zinc/41/53/88/753415388.db2.gz ZUMFEYILVORNRO-HOTGVXAUSA-N 1 3 308.470 0.708 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046011131 753415391 /nfs/dbraw/zinc/41/53/91/753415391.db2.gz ZUMFEYILVORNRO-HOTGVXAUSA-N 1 3 308.470 0.708 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035632 753439595 /nfs/dbraw/zinc/43/95/95/753439595.db2.gz RDIKQHXTYLWRIW-CVEARBPZSA-N 1 3 308.470 0.565 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035632 753439599 /nfs/dbraw/zinc/43/95/99/753439599.db2.gz RDIKQHXTYLWRIW-CVEARBPZSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046063900 753457514 /nfs/dbraw/zinc/45/75/14/753457514.db2.gz BFTFSTAZHJABSS-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046063900 753457517 /nfs/dbraw/zinc/45/75/17/753457517.db2.gz BFTFSTAZHJABSS-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001046831158 753965982 /nfs/dbraw/zinc/96/59/82/753965982.db2.gz GSUXWRTXZAMGPJ-GOEBONIOSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001046831158 753965985 /nfs/dbraw/zinc/96/59/85/753965985.db2.gz GSUXWRTXZAMGPJ-GOEBONIOSA-N 1 3 305.426 0.415 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)CN(CC)CC ZINC001128551897 754088667 /nfs/dbraw/zinc/08/86/67/754088667.db2.gz HSZNTDLPNLBVAW-CHWSQXEVSA-N 1 3 318.437 0.287 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047401076 754246452 /nfs/dbraw/zinc/24/64/52/754246452.db2.gz BXOJBHKPSSUYOX-PMPSAXMXSA-N 1 3 309.454 0.774 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047401076 754246455 /nfs/dbraw/zinc/24/64/55/754246455.db2.gz BXOJBHKPSSUYOX-PMPSAXMXSA-N 1 3 309.454 0.774 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763048 755078906 /nfs/dbraw/zinc/07/89/06/755078906.db2.gz IZMRPERJWSJDOZ-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1)N(C)C ZINC001063101614 755105991 /nfs/dbraw/zinc/10/59/91/755105991.db2.gz WNJYQCGFKCRQKX-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1)N(C)C ZINC001063101614 755105996 /nfs/dbraw/zinc/10/59/96/755105996.db2.gz WNJYQCGFKCRQKX-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001049083430 755107708 /nfs/dbraw/zinc/10/77/08/755107708.db2.gz DAICASLOGINDAY-SOUVJXGZSA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2C1 ZINC001049083430 755107710 /nfs/dbraw/zinc/10/77/10/755107710.db2.gz DAICASLOGINDAY-SOUVJXGZSA-N 1 3 318.421 0.769 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001168763476 755170625 /nfs/dbraw/zinc/17/06/25/755170625.db2.gz ODLGJYBQFVOOTR-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(OC)nc1)C2 ZINC000903494765 755234293 /nfs/dbraw/zinc/23/42/93/755234293.db2.gz NXMUFTFLGIJWFH-ZENOOKHLSA-N 1 3 305.378 0.803 20 0 DCADHO O=C(N1CCC[C@@H]2[C@@H]1CCN2CCO)C12CCC[NH+]1CCC2 ZINC001049569255 755318372 /nfs/dbraw/zinc/31/83/72/755318372.db2.gz XVGUOKIFHSKHAH-CABCVRRESA-N 1 3 307.438 0.672 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001064365238 755388476 /nfs/dbraw/zinc/38/84/76/755388476.db2.gz ZFLGVPUGKNSJBU-UHFFFAOYSA-N 1 3 321.425 0.367 20 0 DCADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315468 755643996 /nfs/dbraw/zinc/64/39/96/755643996.db2.gz AYOQOHJFDZHZMM-JJXSEGSLSA-N 1 3 321.465 0.965 20 0 DCADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315467 755644190 /nfs/dbraw/zinc/64/41/90/755644190.db2.gz AYOQOHJFDZHZMM-FPCVCCKLSA-N 1 3 321.465 0.965 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680920 755777898 /nfs/dbraw/zinc/77/78/98/755777898.db2.gz YIIOLPHUNFFPKK-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001080443470 756215849 /nfs/dbraw/zinc/21/58/49/756215849.db2.gz NSRKCQXCITTZHH-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C[C@H]1C ZINC001118515466 756228768 /nfs/dbraw/zinc/22/87/68/756228768.db2.gz PLEFHWSBEKBBGF-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C[C@H]1C ZINC001118515466 756228772 /nfs/dbraw/zinc/22/87/72/756228772.db2.gz PLEFHWSBEKBBGF-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001080629546 756270248 /nfs/dbraw/zinc/27/02/48/756270248.db2.gz MZMYNNNJLYGJKV-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001080629546 756270251 /nfs/dbraw/zinc/27/02/51/756270251.db2.gz MZMYNNNJLYGJKV-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001054297676 756427868 /nfs/dbraw/zinc/42/78/68/756427868.db2.gz OOWZTIQBDTZSFY-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001054297676 756427869 /nfs/dbraw/zinc/42/78/69/756427869.db2.gz OOWZTIQBDTZSFY-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1NCC(N)=O ZINC001054646088 756596520 /nfs/dbraw/zinc/59/65/20/756596520.db2.gz AEAPCBLRTYRLDF-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959756 756880096 /nfs/dbraw/zinc/88/00/96/756880096.db2.gz WSUVHQHDKRTZKS-VXSWHIBVSA-N 1 3 323.437 0.075 20 0 DCADHO CCCN1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959756 756880098 /nfs/dbraw/zinc/88/00/98/756880098.db2.gz WSUVHQHDKRTZKS-VXSWHIBVSA-N 1 3 323.437 0.075 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCn1cccn1 ZINC001082741041 757252392 /nfs/dbraw/zinc/25/23/92/757252392.db2.gz NPKBZOJMXDASIM-OWCLPIDISA-N 1 3 319.453 0.804 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083084022 757483315 /nfs/dbraw/zinc/48/33/15/757483315.db2.gz WDXUBHICVRPXSU-IXDOHACOSA-N 1 3 321.465 0.896 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001083083985 757484376 /nfs/dbraw/zinc/48/43/76/757484376.db2.gz USXMMWBTNLEVFH-IXDOHACOSA-N 1 3 319.449 0.650 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CC[N@@H+]1C ZINC001084609863 757928981 /nfs/dbraw/zinc/92/89/81/757928981.db2.gz XAUWNOIWSUYFFO-CAOSSQGBSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CC[N@H+]1C ZINC001084609863 757928984 /nfs/dbraw/zinc/92/89/84/757928984.db2.gz XAUWNOIWSUYFFO-CAOSSQGBSA-N 1 3 309.454 0.632 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001051348722 758587108 /nfs/dbraw/zinc/58/71/08/758587108.db2.gz LAHISVAPNUWPAI-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085352737 758829117 /nfs/dbraw/zinc/82/91/17/758829117.db2.gz USWQJBCDMCELLG-RBSFLKMASA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671029 758848568 /nfs/dbraw/zinc/84/85/68/758848568.db2.gz CNCLGIFZBSEUEF-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](CCO)CCCF)CC1 ZINC001098449690 762676346 /nfs/dbraw/zinc/67/63/46/762676346.db2.gz IOOBXPAPHOFAFC-OAHLLOKOSA-N 1 3 315.433 0.726 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CCCF)CC1 ZINC001098449690 762676350 /nfs/dbraw/zinc/67/63/50/762676350.db2.gz IOOBXPAPHOFAFC-OAHLLOKOSA-N 1 3 315.433 0.726 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001147900173 767878678 /nfs/dbraw/zinc/87/86/78/767878678.db2.gz JAOXMTKQTZFRAU-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001147900173 767878686 /nfs/dbraw/zinc/87/86/86/767878686.db2.gz JAOXMTKQTZFRAU-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086085014 759694488 /nfs/dbraw/zinc/69/44/88/759694488.db2.gz NZWGSDUIHHUACJ-XGUBFFRZSA-N 1 3 322.453 0.232 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](CCCCOC)C[C@H]1O ZINC001100042232 759829846 /nfs/dbraw/zinc/82/98/46/759829846.db2.gz WECHIOXFCAPTOM-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](CCCCOC)C[C@H]1O ZINC001100042232 759829854 /nfs/dbraw/zinc/82/98/54/759829854.db2.gz WECHIOXFCAPTOM-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001086270607 759937642 /nfs/dbraw/zinc/93/76/42/759937642.db2.gz LWIUIQLDUCNIBA-SOUVJXGZSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001086270607 759937650 /nfs/dbraw/zinc/93/76/50/759937650.db2.gz LWIUIQLDUCNIBA-SOUVJXGZSA-N 1 3 317.437 0.721 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001066493922 760036390 /nfs/dbraw/zinc/03/63/90/760036390.db2.gz HRPZHVWJEHGXRT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086364599 760106239 /nfs/dbraw/zinc/10/62/39/760106239.db2.gz KJRNIZQBYINGKG-XDQVBPFNSA-N 1 3 310.442 0.217 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086497276 760262688 /nfs/dbraw/zinc/26/26/88/760262688.db2.gz FOZBBUBALPZFJH-TUVASFSCSA-N 1 3 324.469 0.608 20 0 DCADHO COCCN(C)Cc1ccnc(-n2cncc2C[C@@H]([NH3+])CO)c1 ZINC001169072973 760571842 /nfs/dbraw/zinc/57/18/42/760571842.db2.gz WMBYKOQBCJDCSD-CQSZACIVSA-N 1 3 319.409 0.208 20 0 DCADHO NCc1cnnn1-c1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC001169312176 760631067 /nfs/dbraw/zinc/63/10/67/760631067.db2.gz PYERLTDCEMPSLI-UHFFFAOYSA-N 1 3 315.381 0.600 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCN(C(C)(C)C)C2=O)CCC1 ZINC001129356757 761002735 /nfs/dbraw/zinc/00/27/35/761002735.db2.gz GZNRGNNJWJIEAW-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363139 761046226 /nfs/dbraw/zinc/04/62/26/761046226.db2.gz GJAFVCHUEJFDBT-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364821 761054350 /nfs/dbraw/zinc/05/43/50/761054350.db2.gz ZNJPECACZXUEOZ-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209061 761136830 /nfs/dbraw/zinc/13/68/30/761136830.db2.gz KSKMLKMYGUXRJF-QLFBSQMISA-N 1 3 320.441 0.368 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCn1c(C)csc1=O ZINC001148642710 768021981 /nfs/dbraw/zinc/02/19/81/768021981.db2.gz LYXOJOMCHKLBNV-UHFFFAOYSA-N 1 3 314.455 0.266 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC001148655653 768025154 /nfs/dbraw/zinc/02/51/54/768025154.db2.gz QQJNAWZEUBBBOM-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129448823 762938260 /nfs/dbraw/zinc/93/82/60/762938260.db2.gz INDHKDNEPYPZQX-GJZGRUSLSA-N 1 3 315.458 0.066 20 0 DCADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC1CCCCC1)C1CC1 ZINC001129436526 762942551 /nfs/dbraw/zinc/94/25/51/762942551.db2.gz QLMSHUFUHKUSIM-INIZCTEOSA-N 1 3 324.469 0.481 20 0 DCADHO COc1ncc(CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)c(C)n1 ZINC001129436988 762943936 /nfs/dbraw/zinc/94/39/36/762943936.db2.gz UKXXFIBEGFYNRB-CQSZACIVSA-N 1 3 321.425 0.340 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950477 763055311 /nfs/dbraw/zinc/05/53/11/763055311.db2.gz VKAXNPWPUKJOOO-AWEZNQCLSA-N 1 3 300.447 0.051 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)C23CCC[NH+](CCC2)C3)C1=O ZINC001130173998 763153888 /nfs/dbraw/zinc/15/38/88/763153888.db2.gz YJUOGCNIODQJEG-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(CCCF)C[C@H]2O)CC1 ZINC001099972083 763177632 /nfs/dbraw/zinc/17/76/32/763177632.db2.gz RAGSWSYCIYRADI-CHWSQXEVSA-N 1 3 301.406 0.239 20 0 DCADHO Cc1cccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001099986703 763189230 /nfs/dbraw/zinc/18/92/30/763189230.db2.gz OBMFOHMCCIXADF-SJORKVTESA-N 1 3 319.449 0.998 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130418938 763304890 /nfs/dbraw/zinc/30/48/90/763304890.db2.gz DAJADUIUTRQULU-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130418938 763304900 /nfs/dbraw/zinc/30/49/00/763304900.db2.gz DAJADUIUTRQULU-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)C(=O)N(C)C ZINC001130558872 763383098 /nfs/dbraw/zinc/38/30/98/763383098.db2.gz SGUMZQBWJRIJIP-CYBMUJFWSA-N 1 3 321.425 0.090 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O)N(C)C ZINC001171370098 768150145 /nfs/dbraw/zinc/15/01/45/768150145.db2.gz XREWBAHMIVWHSZ-JSGCOSHPSA-N 1 3 300.447 0.323 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCn2cncn2)C1)N(C)C ZINC001100647178 763700950 /nfs/dbraw/zinc/70/09/50/763700950.db2.gz HLHBFUGUJBTUEO-YMAMQOFZSA-N 1 3 322.457 0.349 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001100770548 763774776 /nfs/dbraw/zinc/77/47/76/763774776.db2.gz INOASEKJJJPHJO-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO COC(OC)c1c(C[NH3+])ccnc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170562349 763828872 /nfs/dbraw/zinc/82/88/72/763828872.db2.gz ILYJCEPVTNTBJM-PWSUYJOCSA-N 1 3 310.398 0.621 20 0 DCADHO O=C(NCC[NH2+]CC[C@H]1CCCO1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519850 763844846 /nfs/dbraw/zinc/84/48/46/763844846.db2.gz LEKUTOMKOIMCIT-GYMHETDLSA-N 1 3 323.437 0.125 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479033 764452948 /nfs/dbraw/zinc/45/29/48/764452948.db2.gz OXIXNUVORCKBBZ-HIFRSBDPSA-N 1 3 315.433 0.439 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479033 764452955 /nfs/dbraw/zinc/45/29/55/764452955.db2.gz OXIXNUVORCKBBZ-HIFRSBDPSA-N 1 3 315.433 0.439 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047827 764508021 /nfs/dbraw/zinc/50/80/21/764508021.db2.gz UMINKJFYUBJYDY-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102047827 764508029 /nfs/dbraw/zinc/50/80/29/764508029.db2.gz UMINKJFYUBJYDY-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051921 764510080 /nfs/dbraw/zinc/51/00/80/764510080.db2.gz SYSOLHALQXQCSB-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051921 764510086 /nfs/dbraw/zinc/51/00/86/764510086.db2.gz SYSOLHALQXQCSB-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C)N(C)C ZINC001102088046 764522256 /nfs/dbraw/zinc/52/22/56/764522256.db2.gz JPMJGVMEZFBSLD-RBSFLKMASA-N 1 3 322.457 0.302 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C)N(C)C ZINC001102088046 764522266 /nfs/dbraw/zinc/52/22/66/764522266.db2.gz JPMJGVMEZFBSLD-RBSFLKMASA-N 1 3 322.457 0.302 20 0 DCADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520792 764676677 /nfs/dbraw/zinc/67/66/77/764676677.db2.gz BANVUKJLLXHQEJ-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102525777 764678690 /nfs/dbraw/zinc/67/86/90/764678690.db2.gz UUVIGQRYJMWYPK-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102525777 764678701 /nfs/dbraw/zinc/67/87/01/764678701.db2.gz UUVIGQRYJMWYPK-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102525200 764680404 /nfs/dbraw/zinc/68/04/04/764680404.db2.gz POSTZOGDMJRMDW-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102525200 764680408 /nfs/dbraw/zinc/68/04/08/764680408.db2.gz POSTZOGDMJRMDW-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600391 764719870 /nfs/dbraw/zinc/71/98/70/764719870.db2.gz CQSDBBVDSHMOOU-HZSPNIEDSA-N 1 3 312.458 0.145 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600391 764719873 /nfs/dbraw/zinc/71/98/73/764719873.db2.gz CQSDBBVDSHMOOU-HZSPNIEDSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001132993033 764780865 /nfs/dbraw/zinc/78/08/65/764780865.db2.gz KGCSYNIQIHJFEJ-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051395 764803149 /nfs/dbraw/zinc/80/31/49/764803149.db2.gz FOMTUULQIOGHMW-CYBMUJFWSA-N 1 3 300.447 0.291 20 0 DCADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1cn(C)nn1 ZINC001133091723 764822046 /nfs/dbraw/zinc/82/20/46/764822046.db2.gz UVVJLIBSHIRFOZ-KBPBESRZSA-N 1 3 322.457 0.341 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCO)C2)CC1 ZINC001133195022 764869714 /nfs/dbraw/zinc/86/97/14/764869714.db2.gz OCFYWLRJMACBHB-HZPDHXFCSA-N 1 3 311.470 0.785 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001133194849 764870537 /nfs/dbraw/zinc/87/05/37/764870537.db2.gz LUXOSSVOYITGOU-CABCVRRESA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291725 764909850 /nfs/dbraw/zinc/90/98/50/764909850.db2.gz XRPRGSXGJSXOER-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103086575 764940375 /nfs/dbraw/zinc/94/03/75/764940375.db2.gz IGPAOMKXSXBGQX-XPKDYRNWSA-N 1 3 324.469 0.147 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001103086575 764940382 /nfs/dbraw/zinc/94/03/82/764940382.db2.gz IGPAOMKXSXBGQX-XPKDYRNWSA-N 1 3 324.469 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1)N(C)C ZINC001133415679 764956436 /nfs/dbraw/zinc/95/64/36/764956436.db2.gz JYWJIKYCSWPDMG-MRXNPFEDSA-N 1 3 321.469 0.940 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103550350 765080267 /nfs/dbraw/zinc/08/02/67/765080267.db2.gz LQEGUVHVOJMSQE-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103550350 765080276 /nfs/dbraw/zinc/08/02/76/765080276.db2.gz LQEGUVHVOJMSQE-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+](CC)CC ZINC001133685688 765093384 /nfs/dbraw/zinc/09/33/84/765093384.db2.gz ZNWBPMFYSSZZLY-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103755740 765120323 /nfs/dbraw/zinc/12/03/23/765120323.db2.gz OJHFNXYQRIANJN-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103755740 765120328 /nfs/dbraw/zinc/12/03/28/765120328.db2.gz OJHFNXYQRIANJN-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001133834205 765164914 /nfs/dbraw/zinc/16/49/14/765164914.db2.gz QPPIDIBGYYCRFO-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C)C1CC1 ZINC001133834205 765164916 /nfs/dbraw/zinc/16/49/16/765164916.db2.gz QPPIDIBGYYCRFO-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133851128 765170742 /nfs/dbraw/zinc/17/07/42/765170742.db2.gz XNEOUZXVPNYXIU-HNNXBMFYSA-N 1 3 316.421 0.041 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133851128 765170748 /nfs/dbraw/zinc/17/07/48/765170748.db2.gz XNEOUZXVPNYXIU-HNNXBMFYSA-N 1 3 316.421 0.041 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001133853669 765171619 /nfs/dbraw/zinc/17/16/19/765171619.db2.gz OASHOICWUOMAJU-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001133853669 765171625 /nfs/dbraw/zinc/17/16/25/765171625.db2.gz OASHOICWUOMAJU-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001133845284 765178698 /nfs/dbraw/zinc/17/86/98/765178698.db2.gz ALTSCWLRCQAWFE-GHMZBOCLSA-N 1 3 311.348 0.347 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001134612166 765589667 /nfs/dbraw/zinc/58/96/67/765589667.db2.gz ISCJOCCNBCXVFF-CHWSQXEVSA-N 1 3 324.469 0.622 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134613933 765591895 /nfs/dbraw/zinc/59/18/95/765591895.db2.gz YUHXHQYXBJKDLJ-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO OC[C@@H]1C[NH2+]C[C@H]1Nc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001170780883 765734562 /nfs/dbraw/zinc/73/45/62/765734562.db2.gz IMUDZRFGKHIOBN-IMJJTQAJSA-N 1 3 316.405 0.592 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)N1CCCCC1 ZINC001124867143 768316867 /nfs/dbraw/zinc/31/68/67/768316867.db2.gz SNQIWAPSPXYWFR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001135513454 765967656 /nfs/dbraw/zinc/96/76/56/765967656.db2.gz OUJNIJNDLZZZAP-CQSZACIVSA-N 1 3 301.431 0.230 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743745 766085429 /nfs/dbraw/zinc/08/54/29/766085429.db2.gz PASMVALPIXECSY-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)NCCC[NH3+])c2)CC1 ZINC001117966612 766178720 /nfs/dbraw/zinc/17/87/20/766178720.db2.gz QWJBAOJBPALWBG-UHFFFAOYSA-N 1 3 319.453 0.582 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135977574 766197731 /nfs/dbraw/zinc/19/77/31/766197731.db2.gz VUXSCKVIRJLZPL-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001135976279 766197735 /nfs/dbraw/zinc/19/77/35/766197735.db2.gz IMKRQRXUBRTXFO-QWHCGFSZSA-N 1 3 310.446 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135976462 766197883 /nfs/dbraw/zinc/19/78/83/766197883.db2.gz JXVKMOPTYHFLJP-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCOC(=O)[C@@H]1NC(=O)c2cc(N[C@@H](N)CCC[NH3+])ccc2O1 ZINC001170901014 766250602 /nfs/dbraw/zinc/25/06/02/766250602.db2.gz TUVNXUMTKZUVLM-TZMCWYRMSA-N 1 3 322.365 0.134 20 0 DCADHO N[C@@H](CCC[NH3+])Nc1ccc(=O)n(Cc2ccc(F)cc2)n1 ZINC001170906534 766254385 /nfs/dbraw/zinc/25/43/85/766254385.db2.gz XAFHJMNLOSCOHV-CYBMUJFWSA-N 1 3 305.357 0.866 20 0 DCADHO CCOC(=O)CN(CC[NH3+])c1ccc(N2CCN(C)CC2)cc1 ZINC001170995444 766382653 /nfs/dbraw/zinc/38/26/53/766382653.db2.gz LEJGBIDGCFHJPZ-UHFFFAOYSA-N 1 3 320.437 0.767 20 0 DCADHO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](O)C1 ZINC001090829604 766647521 /nfs/dbraw/zinc/64/75/21/766647521.db2.gz DHAGONPZVCPTIW-JKSUJKDBSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](O)C1 ZINC001090829604 766647527 /nfs/dbraw/zinc/64/75/27/766647527.db2.gz DHAGONPZVCPTIW-JKSUJKDBSA-N 1 3 305.422 0.933 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120450384 767020624 /nfs/dbraw/zinc/02/06/24/767020624.db2.gz VPEFISVJASMJJE-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120450384 767020634 /nfs/dbraw/zinc/02/06/34/767020634.db2.gz VPEFISVJASMJJE-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001120626539 767098420 /nfs/dbraw/zinc/09/84/20/767098420.db2.gz RKAYCLHRKIWRMR-LSDHHAIUSA-N 1 3 310.442 0.369 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(=O)N2CCCC2)CC1 ZINC001146356513 767441153 /nfs/dbraw/zinc/44/11/53/767441153.db2.gz XZNVVARYJSRHCE-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001146581488 767483267 /nfs/dbraw/zinc/48/32/67/767483267.db2.gz CFZJJWBLFULHDE-STQMWFEESA-N 1 3 320.437 0.720 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146591886 767485789 /nfs/dbraw/zinc/48/57/89/767485789.db2.gz HWOVCUOSBWGBKO-ZIAGYGMSSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCc1ccc2nonc2c1 ZINC001146704507 767498309 /nfs/dbraw/zinc/49/83/09/767498309.db2.gz CEYYSCWVFPWGRA-UHFFFAOYSA-N 1 3 305.382 0.770 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc2nonc2c1 ZINC001146704507 767498314 /nfs/dbraw/zinc/49/83/14/767498314.db2.gz CEYYSCWVFPWGRA-UHFFFAOYSA-N 1 3 305.382 0.770 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711520 767509328 /nfs/dbraw/zinc/50/93/28/767509328.db2.gz UPVXPDSOSXWVGD-CYBMUJFWSA-N 1 3 300.447 0.291 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711520 767509332 /nfs/dbraw/zinc/50/93/32/767509332.db2.gz UPVXPDSOSXWVGD-CYBMUJFWSA-N 1 3 300.447 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N1CCCCC1 ZINC001146710724 767509519 /nfs/dbraw/zinc/50/95/19/767509519.db2.gz LWNJUCZOLQBOOV-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N1CCCCC1 ZINC001146710724 767509520 /nfs/dbraw/zinc/50/95/20/767509520.db2.gz LWNJUCZOLQBOOV-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC001121935471 767672963 /nfs/dbraw/zinc/67/29/63/767672963.db2.gz PJSOYJHOWSYDOS-OPFKTAGGSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCNC[C@@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001121998248 767692988 /nfs/dbraw/zinc/69/29/88/767692988.db2.gz UFEZRDOLZBFFIV-MRXNPFEDSA-N 1 3 320.437 0.859 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC001203005250 768513773 /nfs/dbraw/zinc/51/37/73/768513773.db2.gz OIQCUMLVLMVVPS-UHFFFAOYSA-N 1 3 322.457 0.720 20 0 DCADHO CN1CCN(CCC(=O)N(CC[NH3+])c2ccc(F)cc2)CC1 ZINC001143238074 768700138 /nfs/dbraw/zinc/70/01/38/768700138.db2.gz WNCSQXDINYQCLL-UHFFFAOYSA-N 1 3 308.401 0.755 20 0 DCADHO COC[C@@H](C)N1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195099 769034223 /nfs/dbraw/zinc/03/42/23/769034223.db2.gz XULPZQWPOMKNSF-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](CCCOC)CCCO1 ZINC001150469073 769104613 /nfs/dbraw/zinc/10/46/13/769104613.db2.gz BMECUVCUKMJRGM-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](CCCOC)CCCO1 ZINC001150469073 769104614 /nfs/dbraw/zinc/10/46/14/769104614.db2.gz BMECUVCUKMJRGM-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150625391 769144307 /nfs/dbraw/zinc/14/43/07/769144307.db2.gz MDHZHJCHYUTKTM-HNNXBMFYSA-N 1 3 315.458 0.308 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150625391 769144313 /nfs/dbraw/zinc/14/43/13/769144313.db2.gz MDHZHJCHYUTKTM-HNNXBMFYSA-N 1 3 315.458 0.308 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCCO[C@H]1CCOC1 ZINC001171770632 769372807 /nfs/dbraw/zinc/37/28/07/769372807.db2.gz VUJQZUNYEBKAEK-HNNXBMFYSA-N 1 3 315.458 0.620 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)c2ccccc2C[NH+](C)C)C1=O ZINC001152384653 769540776 /nfs/dbraw/zinc/54/07/76/769540776.db2.gz VZDQURCXDNCTLJ-OAHLLOKOSA-N 1 3 318.421 0.298 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152394076 769546616 /nfs/dbraw/zinc/54/66/16/769546616.db2.gz ZTFMEQGZPVSWQC-UHFFFAOYSA-N 1 3 320.437 0.592 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(CCCO)CCCO1)[NH+](C)C ZINC001150290515 769727569 /nfs/dbraw/zinc/72/75/69/769727569.db2.gz ACMCPWAJBFRKCD-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO COc1ccc2nc(CN3CCNC[C@]34CC[NH2+]C4)[nH]c2c1 ZINC001234994248 769738869 /nfs/dbraw/zinc/73/88/69/769738869.db2.gz QQNBQIDGFQNPHV-MRXNPFEDSA-N 1 3 301.394 0.709 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001174691410 769779380 /nfs/dbraw/zinc/77/93/80/769779380.db2.gz KYWDUEVSNUHLPE-BBRMVZONSA-N 1 3 306.410 0.783 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCNC(=O)NC(C)C ZINC001174690092 769779521 /nfs/dbraw/zinc/77/95/21/769779521.db2.gz AUXBHTLXCOHIET-UHFFFAOYSA-N 1 3 324.429 0.064 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001175263053 769883911 /nfs/dbraw/zinc/88/39/11/769883911.db2.gz NUZKAGZGIJZOOB-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO O=c1[n-]c(Cl)c(CN2CC[NH2+]CCNCC[NH2+]CC2)s1 ZINC001235875086 769957561 /nfs/dbraw/zinc/95/75/61/769957561.db2.gz ZYBZAOGJSBJQNC-UHFFFAOYSA-N 1 3 319.862 0.087 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](O)COC ZINC001175766738 769958877 /nfs/dbraw/zinc/95/88/77/769958877.db2.gz AHNKSMILQXYLAG-CABCVRRESA-N 1 3 317.474 0.600 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3c[nH]c(C)n3)C[C@H]1C2 ZINC001236028607 769970050 /nfs/dbraw/zinc/97/00/50/769970050.db2.gz VUFATHJVTMBQMO-UJDVCPFMSA-N 1 3 304.394 0.549 20 0 DCADHO [NH3+]C1CCN([C@@H]2CCN(Cc3nc4c(s3)CNCC4)C2)CC1 ZINC001236621839 770013528 /nfs/dbraw/zinc/01/35/28/770013528.db2.gz KHOOCLYSBQXJDK-CYBMUJFWSA-N 1 3 321.494 0.786 20 0 DCADHO COc1ncccc1C[NH2+]CCCNC(=O)CN1CCCC1 ZINC001176095635 770017752 /nfs/dbraw/zinc/01/77/52/770017752.db2.gz GHUWYNHUIUNXFI-UHFFFAOYSA-N 1 3 306.410 0.782 20 0 DCADHO CCOC(=O)[C@H]1CN(Cc2ccc(N)nc2)CCC12C[NH2+]C2 ZINC001237431106 770040723 /nfs/dbraw/zinc/04/07/23/770040723.db2.gz NHWZIPMIUGMCME-CYBMUJFWSA-N 1 3 304.394 0.638 20 0 DCADHO CC1(C)COc2c(C(=O)N(CCCC[NH3+])C(=N)N)cnn2C1 ZINC001154369072 770156338 /nfs/dbraw/zinc/15/63/38/770156338.db2.gz DXQGATVGSFOBDK-UHFFFAOYSA-N 1 3 308.386 0.376 20 0 DCADHO NCCS(=O)(=O)N(Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001239140933 770193756 /nfs/dbraw/zinc/19/37/56/770193756.db2.gz GWXUBXVMELBATH-AWEZNQCLSA-N 1 3 315.414 0.668 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971808 770264318 /nfs/dbraw/zinc/26/43/18/770264318.db2.gz IPVJNYCIEYGMCJ-UHFFFAOYSA-N 1 3 310.446 0.543 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001176986193 770271820 /nfs/dbraw/zinc/27/18/20/770271820.db2.gz HGYLOMLSEOBSEX-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178678811 770826587 /nfs/dbraw/zinc/82/65/87/770826587.db2.gz SKACNLLUZALYBK-IHRRRGAJSA-N 1 3 310.442 0.184 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178678811 770826601 /nfs/dbraw/zinc/82/66/01/770826601.db2.gz SKACNLLUZALYBK-IHRRRGAJSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124706 771066557 /nfs/dbraw/zinc/06/65/57/771066557.db2.gz NXVKPLBGYVERPK-CFVMTHIKSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180124706 771066560 /nfs/dbraw/zinc/06/65/60/771066560.db2.gz NXVKPLBGYVERPK-CFVMTHIKSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)[C@@H]1C ZINC001180226928 771077767 /nfs/dbraw/zinc/07/77/67/771077767.db2.gz UFXFGZWBZZUPQQ-HOCLYGCPSA-N 1 3 321.469 0.882 20 0 DCADHO C[C@H](C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C)N1CCCC1 ZINC001180578893 771131573 /nfs/dbraw/zinc/13/15/73/771131573.db2.gz IJXQGEMTBNBDHT-OWCLPIDISA-N 1 3 308.470 0.708 20 0 DCADHO CCc1nocc1C[NH2+]CCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151160921 771467087 /nfs/dbraw/zinc/46/70/87/771467087.db2.gz ZZACHLDMSCIPDS-CYBMUJFWSA-N 1 3 324.425 0.411 20 0 DCADHO COc1cnccc1[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001157082034 771529955 /nfs/dbraw/zinc/52/99/55/771529955.db2.gz GDOGJAKWNKXOBS-JKSUJKDBSA-N 1 3 318.421 0.984 20 0 DCADHO N=C(NCCCC[NH3+])Nc1ccnc(-n2ccccc2=O)n1 ZINC001157098852 771533792 /nfs/dbraw/zinc/53/37/92/771533792.db2.gz CJYQZQWGCNYFRB-UHFFFAOYSA-N 1 3 301.354 0.303 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183230235 771622380 /nfs/dbraw/zinc/62/23/80/771622380.db2.gz VXITWUSZFQKDAY-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1)C1CCC1 ZINC001183289475 771632393 /nfs/dbraw/zinc/63/23/93/771632393.db2.gz ZMKDSXHYJGDFIB-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1 ZINC001157716965 771657605 /nfs/dbraw/zinc/65/76/05/771657605.db2.gz VHZVCEFHQVPPRO-GARJFASQSA-N 1 3 309.332 0.364 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CC(F)(F)CC[C@H]1CO ZINC001157731041 771660177 /nfs/dbraw/zinc/66/01/77/771660177.db2.gz UTWTZLXLFPGJKH-RYUDHWBXSA-N 1 3 317.380 0.479 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CC(F)(F)CC[C@H]1CO ZINC001157731041 771660179 /nfs/dbraw/zinc/66/01/79/771660179.db2.gz UTWTZLXLFPGJKH-RYUDHWBXSA-N 1 3 317.380 0.479 20 0 DCADHO CN1C[C@@H](CNc2cccc(N3CCC([NH3+])CC3)n2)CC1=O ZINC001157908492 771691351 /nfs/dbraw/zinc/69/13/51/771691351.db2.gz GVQDCNINIJNLGC-GFCCVEGCSA-N 1 3 303.410 0.899 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCNCC(F)(F)C1 ZINC001157947404 771700519 /nfs/dbraw/zinc/70/05/19/771700519.db2.gz UKYNHDJBMPLXQQ-LBPRGKRZSA-N 1 3 306.401 0.549 20 0 DCADHO N[C@@H](C(=O)N1CCc2cc3c(cc2C1)OCO3)C1CC[NH2+]CC1 ZINC001157983838 771707577 /nfs/dbraw/zinc/70/75/77/771707577.db2.gz UZTLNJQWPYMTMS-MRXNPFEDSA-N 1 3 317.389 0.627 20 0 DCADHO O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161270 771731827 /nfs/dbraw/zinc/73/18/27/771731827.db2.gz ORZRMXDOXNFAGB-OIISXLGYSA-N 1 3 307.438 0.890 20 0 DCADHO N[C@@H](C(=O)N1C[C@H]2c3ccccc3C(=O)[C@H]2C1)C1CC[NH2+]CC1 ZINC001158179550 771734964 /nfs/dbraw/zinc/73/49/64/771734964.db2.gz NVDVUWJSMYSIHD-HRCADAONSA-N 1 3 313.401 0.752 20 0 DCADHO N[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CCC2(CC1)OCCO2 ZINC001158215292 771742381 /nfs/dbraw/zinc/74/23/81/771742381.db2.gz MNMFLHIECKJXEU-MJBXVCDLSA-N 1 3 309.410 0.210 20 0 DCADHO CCn1cnc2c1ncnc2N1CCC([N@@H+]2CC[C@@H](N)C2)CC1 ZINC001158266562 771750862 /nfs/dbraw/zinc/75/08/62/771750862.db2.gz CUKJKUWTIZCTNY-GFCCVEGCSA-N 1 3 315.425 0.848 20 0 DCADHO CCn1cnc2c1ncnc2N1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001158266562 771750864 /nfs/dbraw/zinc/75/08/64/771750864.db2.gz CUKJKUWTIZCTNY-GFCCVEGCSA-N 1 3 315.425 0.848 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)on1 ZINC001158487206 771781859 /nfs/dbraw/zinc/78/18/59/771781859.db2.gz WVGIFVOTHAJKRI-UKRRQHHQSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)on1 ZINC001158487206 771781864 /nfs/dbraw/zinc/78/18/64/771781864.db2.gz WVGIFVOTHAJKRI-UKRRQHHQSA-N 1 3 322.409 0.442 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@@H]2CF)CC1 ZINC001158582156 771793037 /nfs/dbraw/zinc/79/30/37/771793037.db2.gz LWOWMWFNZZHSER-GXSJLCMTSA-N 1 3 307.373 0.204 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)c3ccc4c(n3)CCNC4)C[C@@H]2CF)CC1 ZINC001158584151 771793056 /nfs/dbraw/zinc/79/30/56/771793056.db2.gz YYKQDBKWKGCEPV-QWHCGFSZSA-N 1 3 318.396 0.876 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184553983 771798404 /nfs/dbraw/zinc/79/84/04/771798404.db2.gz HCRYKQNVEYSWCC-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)CC1 ZINC001185221602 771880737 /nfs/dbraw/zinc/88/07/37/771880737.db2.gz KBKWTAJUGAKBJL-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001185229748 771882461 /nfs/dbraw/zinc/88/24/61/771882461.db2.gz GQSCIWGNGMCLGL-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO COc1coc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1=O ZINC001185401187 771912023 /nfs/dbraw/zinc/91/20/23/771912023.db2.gz MFAZXEROEAOKEG-GFCCVEGCSA-N 1 3 323.393 0.291 20 0 DCADHO COC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159623045 771935519 /nfs/dbraw/zinc/93/55/19/771935519.db2.gz BKOHZSWSUQCPRZ-LZWOXQAQSA-N 1 3 313.442 0.487 20 0 DCADHO C[C@@H](C[NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668143 771941544 /nfs/dbraw/zinc/94/15/44/771941544.db2.gz WLBYDYGBCCVTBZ-IMJJTQAJSA-N 1 3 318.421 0.478 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001185668614 771945815 /nfs/dbraw/zinc/94/58/15/771945815.db2.gz FESLYEKYMQOODB-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001185668614 771945819 /nfs/dbraw/zinc/94/58/19/771945819.db2.gz FESLYEKYMQOODB-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@@H]2C[C@]23CCOC3)CCC1 ZINC001159861840 771969694 /nfs/dbraw/zinc/96/96/94/771969694.db2.gz SCFKTZUIUOOQIX-HOCLYGCPSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001185924850 771976888 /nfs/dbraw/zinc/97/68/88/771976888.db2.gz GLSPEJUNEVXADT-CYBMUJFWSA-N 1 3 319.409 0.155 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1)C1CC1 ZINC001159932380 771980417 /nfs/dbraw/zinc/98/04/17/771980417.db2.gz PZPCGAHPSQPBBB-CJNGLKHVSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001160420908 772034603 /nfs/dbraw/zinc/03/46/03/772034603.db2.gz LKRFFKXOJJMGIY-HNNXBMFYSA-N 1 3 312.458 0.291 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160420563 772035055 /nfs/dbraw/zinc/03/50/55/772035055.db2.gz HIMOXFLPQIZLMB-AWEZNQCLSA-N 1 3 310.446 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001160426599 772036097 /nfs/dbraw/zinc/03/60/97/772036097.db2.gz ICLXUUSAYBLWLX-HNNXBMFYSA-N 1 3 314.474 0.535 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N(CCO)Cc1cccs1 ZINC001160443299 772039852 /nfs/dbraw/zinc/03/98/52/772039852.db2.gz GRTFIMDPUJPLJZ-CQSZACIVSA-N 1 3 323.462 0.943 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N(CCO)Cc1cccs1 ZINC001160443299 772039860 /nfs/dbraw/zinc/03/98/60/772039860.db2.gz GRTFIMDPUJPLJZ-CQSZACIVSA-N 1 3 323.462 0.943 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001186496336 772046775 /nfs/dbraw/zinc/04/67/75/772046775.db2.gz FGZKQFVCHVZJPQ-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO [NH3+]C1CCN(C(=O)c2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC001160522890 772057990 /nfs/dbraw/zinc/05/79/90/772057990.db2.gz OYEWYETZRLMQOS-MRXNPFEDSA-N 1 3 303.406 0.817 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001160530828 772059229 /nfs/dbraw/zinc/05/92/29/772059229.db2.gz PSCJSPSLBMWXKF-KBPBESRZSA-N 1 3 309.435 0.606 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC001160754896 772106434 /nfs/dbraw/zinc/10/64/34/772106434.db2.gz OPCMAWUPYWEQJW-LSDHHAIUSA-N 1 3 307.394 0.359 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766198 772109014 /nfs/dbraw/zinc/10/90/14/772109014.db2.gz LXKFYQSDESGWDH-FIQHERPVSA-N 1 3 323.359 0.976 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203652090 772130060 /nfs/dbraw/zinc/13/00/60/772130060.db2.gz RKKPIYIIVLONCN-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001187106163 772131424 /nfs/dbraw/zinc/13/14/24/772131424.db2.gz CNKIFMKSKNTZJC-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001187106163 772131427 /nfs/dbraw/zinc/13/14/27/772131427.db2.gz CNKIFMKSKNTZJC-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CN[C@H](C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)[C@@H](C)OC(C)(C)C ZINC001160971608 772145089 /nfs/dbraw/zinc/14/50/89/772145089.db2.gz KGOJCUSXRZEMDM-VWYCJHECSA-N 1 3 307.385 0.973 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)CC1 ZINC001160992032 772146179 /nfs/dbraw/zinc/14/61/79/772146179.db2.gz HJJNRQSBVDZTIH-AWEZNQCLSA-N 1 3 305.426 0.614 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC2)CC1 ZINC001160992032 772146184 /nfs/dbraw/zinc/14/61/84/772146184.db2.gz HJJNRQSBVDZTIH-AWEZNQCLSA-N 1 3 305.426 0.614 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001187323047 772165320 /nfs/dbraw/zinc/16/53/20/772165320.db2.gz VRMOLFDNIRCXPJ-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001187323076 772165760 /nfs/dbraw/zinc/16/57/60/772165760.db2.gz XKGFHSJQFMAZOM-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO C[NH+](C)CCC(=O)NCCC1=CCN(CCn2cccn2)CC1 ZINC001161106742 772170606 /nfs/dbraw/zinc/17/06/06/772170606.db2.gz JBKMEUCRHFGRTF-UHFFFAOYSA-N 1 3 319.453 0.973 20 0 DCADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161132343 772173126 /nfs/dbraw/zinc/17/31/26/772173126.db2.gz YHDRJMSVWRAGKC-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161132343 772173128 /nfs/dbraw/zinc/17/31/28/772173128.db2.gz YHDRJMSVWRAGKC-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])Cc2nnc(C(F)(F)F)n21 ZINC001161146773 772175250 /nfs/dbraw/zinc/17/52/50/772175250.db2.gz SDFZYBZECDNDBD-HTQZYQBOSA-N 1 3 320.319 0.266 20 0 DCADHO C[C@H]1CN(C(=O)c2cccc(CN3CC[NH2+]CC3)c2)C[C@H](C)N1 ZINC001161231313 772187151 /nfs/dbraw/zinc/18/71/51/772187151.db2.gz HNUBWBLJOWDIQF-GJZGRUSLSA-N 1 3 316.449 0.914 20 0 DCADHO CC1(C)OCCC12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001161240041 772189569 /nfs/dbraw/zinc/18/95/69/772189569.db2.gz UYTIOBIGBAFXRW-CYBMUJFWSA-N 1 3 307.438 0.603 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187843218 772233021 /nfs/dbraw/zinc/23/30/21/772233021.db2.gz XTCSJZPVNNBIHT-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO NC[C@H](N)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577053 772247686 /nfs/dbraw/zinc/24/76/86/772247686.db2.gz UDVBPWWNUOAPJW-ZACQAIPSSA-N 1 3 316.449 0.643 20 0 DCADHO NC[C@H](N)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577053 772247688 /nfs/dbraw/zinc/24/76/88/772247688.db2.gz UDVBPWWNUOAPJW-ZACQAIPSSA-N 1 3 316.449 0.643 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1)C1CC1 ZINC001188157960 772276925 /nfs/dbraw/zinc/27/69/25/772276925.db2.gz ASKODCRSCLSZOQ-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001188158874 772277158 /nfs/dbraw/zinc/27/71/58/772277158.db2.gz XUARDWCLHYGRKO-OLZOCXBDSA-N 1 3 319.396 0.941 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001188158314 772277363 /nfs/dbraw/zinc/27/73/63/772277363.db2.gz KUCBLUKZWLYWOB-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO COC(=O)c1ccc(C[NH3+])n1-c1nc(Cl)nc2c1CNCC2 ZINC001161934543 772301561 /nfs/dbraw/zinc/30/15/61/772301561.db2.gz AIBWAGKTNFJNMS-UHFFFAOYSA-N 1 3 321.768 0.812 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001162540984 772389338 /nfs/dbraw/zinc/38/93/38/772389338.db2.gz LZFNUYAKHMXEPY-UHFFFAOYSA-N 1 3 317.349 0.253 20 0 DCADHO CCOCCN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801183 772543151 /nfs/dbraw/zinc/54/31/51/772543151.db2.gz BDPCEDIKBQQHDH-LSDHHAIUSA-N 1 3 307.438 0.651 20 0 DCADHO CN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC001163821222 772577397 /nfs/dbraw/zinc/57/73/97/772577397.db2.gz LYOUBOWLSJNEBO-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](NCCCNC(=O)C1(C[NH+](C)C)CC1)c1cnccn1 ZINC001165263948 772712865 /nfs/dbraw/zinc/71/28/65/772712865.db2.gz XTAAVLAGQHMIPZ-ZDUSSCGKSA-N 1 3 305.426 0.975 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001165617007 772750400 /nfs/dbraw/zinc/75/04/00/772750400.db2.gz GHCPFVIYKHELRT-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001166627144 772831061 /nfs/dbraw/zinc/83/10/61/772831061.db2.gz QYFMTMRMAHFRJC-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001166667389 772836213 /nfs/dbraw/zinc/83/62/13/772836213.db2.gz ABNDFSQGGZQURC-AWEZNQCLSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCCCC2)C1 ZINC001166667966 772837362 /nfs/dbraw/zinc/83/73/62/772837362.db2.gz MWGNBWCYEREQJZ-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667613 772837510 /nfs/dbraw/zinc/83/75/10/772837510.db2.gz DXXDPYGBLVURMT-ZDUSSCGKSA-N 1 3 307.442 0.666 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001166678571 772838968 /nfs/dbraw/zinc/83/89/68/772838968.db2.gz WKUKQXHGILHXIN-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001166677883 772839296 /nfs/dbraw/zinc/83/92/96/772839296.db2.gz PHZUFJQPMAURIF-CYBMUJFWSA-N 1 3 305.426 0.723 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CCCO)C1 ZINC001166687204 772840807 /nfs/dbraw/zinc/84/08/07/772840807.db2.gz INGDAISNLLBDKJ-HNNXBMFYSA-N 1 3 303.422 0.677 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(N)=O ZINC001166687477 772841250 /nfs/dbraw/zinc/84/12/50/772841250.db2.gz SOJKTFXRDGYMFQ-XHDPSFHLSA-N 1 3 316.421 0.169 20 0 DCADHO CN1CC[C@H]([NH2+]CCCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001166736059 772854222 /nfs/dbraw/zinc/85/42/22/772854222.db2.gz BSCPCWAQRTZCMJ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001166764874 772856901 /nfs/dbraw/zinc/85/69/01/772856901.db2.gz LSFQHAAFBVMVRL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019269 772858746 /nfs/dbraw/zinc/85/87/46/772858746.db2.gz WHHCJHRGLMUNBS-AWEZNQCLSA-N 1 3 320.441 0.153 20 0 DCADHO Cn1nncc1CNCC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971878 772895039 /nfs/dbraw/zinc/89/50/39/772895039.db2.gz PZNHAVYZQLNISK-UHFFFAOYSA-N 1 3 308.430 0.143 20 0 DCADHO CN(C(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC001203705342 772920350 /nfs/dbraw/zinc/92/03/50/772920350.db2.gz VGJWOOYFLCVODP-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO N[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@@H]1F ZINC001204891954 772967684 /nfs/dbraw/zinc/96/76/84/772967684.db2.gz RLEGGRZDSKSPKD-KBPBESRZSA-N 1 3 318.400 0.677 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559775 773085018 /nfs/dbraw/zinc/08/50/18/773085018.db2.gz LOFRZDIXXAPIKO-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208280041 773423036 /nfs/dbraw/zinc/42/30/36/773423036.db2.gz XYMAQMCLXFRCSO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208280041 773423039 /nfs/dbraw/zinc/42/30/39/773423039.db2.gz XYMAQMCLXFRCSO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447710 773464143 /nfs/dbraw/zinc/46/41/43/773464143.db2.gz NAOYLZUHJFMGGS-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491375 773477924 /nfs/dbraw/zinc/47/79/24/773477924.db2.gz HMORJABZFKNHAL-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)N(C)C ZINC001209304778 773587984 /nfs/dbraw/zinc/58/79/84/773587984.db2.gz UFLUGZLPEXCJNW-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323792 773591400 /nfs/dbraw/zinc/59/14/00/773591400.db2.gz MIKVNKJZIULHOI-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001209633410 773627430 /nfs/dbraw/zinc/62/74/30/773627430.db2.gz USXMQBRYZAQTSR-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001210218906 773686048 /nfs/dbraw/zinc/68/60/48/773686048.db2.gz RCLGYCULQGZKDQ-CQSZACIVSA-N 1 3 308.430 0.201 20 0 DCADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210299190 773696289 /nfs/dbraw/zinc/69/62/89/773696289.db2.gz ZKDVZHQCDUBKEM-HUUCEWRRSA-N 1 3 315.458 0.426 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnn(C2CCOCC2)c1 ZINC001197119257 773699080 /nfs/dbraw/zinc/69/90/80/773699080.db2.gz MMEDMOCHLYGNDO-UHFFFAOYSA-N 1 3 308.386 0.309 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673677 773728909 /nfs/dbraw/zinc/72/89/09/773728909.db2.gz GBDSLSJNQDMYNV-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673677 773728912 /nfs/dbraw/zinc/72/89/12/773728912.db2.gz GBDSLSJNQDMYNV-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N(C)C ZINC001210685062 773729979 /nfs/dbraw/zinc/72/99/79/773729979.db2.gz MCULDCGVWXIRNX-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](NCc2ccccn2)C1 ZINC001210677746 773730008 /nfs/dbraw/zinc/73/00/08/773730008.db2.gz OMVNWEZEAMZORD-MRXNPFEDSA-N 1 3 320.437 0.740 20 0 DCADHO Cc1nc(Nc2c[nH+]cn2C)cc(N2CCN(CCO)CC2)n1 ZINC001211245480 773785446 /nfs/dbraw/zinc/78/54/46/773785446.db2.gz ODMHVNHTZDMWIZ-UHFFFAOYSA-N 1 3 317.397 0.376 20 0 DCADHO CN1CC[C@H](NCCNC(=O)c2ccccc2C[NH+](C)C)C1=O ZINC001152384652 773832596 /nfs/dbraw/zinc/83/25/96/773832596.db2.gz VZDQURCXDNCTLJ-HNNXBMFYSA-N 1 3 318.421 0.298 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC001152445263 773906412 /nfs/dbraw/zinc/90/64/12/773906412.db2.gz GADREWWOLLSTNB-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023218 774013791 /nfs/dbraw/zinc/01/37/91/774013791.db2.gz CPOGJHXOCDEQPL-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCC(=O)N(C)C ZINC001214889127 774022611 /nfs/dbraw/zinc/02/26/11/774022611.db2.gz ICLRPFGBROMCKB-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC(=O)N(C)C ZINC001214889127 774022617 /nfs/dbraw/zinc/02/26/17/774022617.db2.gz ICLRPFGBROMCKB-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC001203925820 774027934 /nfs/dbraw/zinc/02/79/34/774027934.db2.gz VMXFMOBUZFTELK-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1nc([C@H](C)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001215461075 774074570 /nfs/dbraw/zinc/07/45/70/774074570.db2.gz QRSKTKMWTJZERF-NTZNESFSSA-N 1 3 308.430 0.562 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754310 774133369 /nfs/dbraw/zinc/13/33/69/774133369.db2.gz OVIXOTNDCKGJPP-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754310 774133375 /nfs/dbraw/zinc/13/33/75/774133375.db2.gz OVIXOTNDCKGJPP-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001216851596 774143478 /nfs/dbraw/zinc/14/34/78/774143478.db2.gz BLFPPBKMNOWAPN-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO Cc1noc2nc(O[C@@H]3COC4(C[NH2+]C4)C3)c3c(c12)CCNC3 ZINC001218058658 774210945 /nfs/dbraw/zinc/21/09/45/774210945.db2.gz MLBNLRIBPWDLRL-JTQLQIEISA-N 1 3 316.361 0.687 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199826363 774218882 /nfs/dbraw/zinc/21/88/82/774218882.db2.gz JZOHAJIDJSHPKS-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(Nc1nnc(Br)s1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218511386 774232035 /nfs/dbraw/zinc/23/20/35/774232035.db2.gz PSEFFNLUUINMNW-YFKPBYRVSA-N 1 3 318.200 0.048 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534163 774239494 /nfs/dbraw/zinc/23/94/94/774239494.db2.gz VHFPTBUDWJUOLO-SCZZXKLOSA-N 1 3 320.422 0.201 20 0 DCADHO CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@@H](N)CCC[NH3+])ncn1 ZINC001218575122 774253373 /nfs/dbraw/zinc/25/33/73/774253373.db2.gz CIQQCGUHGAJNDN-VIFPVBQESA-N 1 3 324.385 0.828 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC001218603004 774260970 /nfs/dbraw/zinc/26/09/70/774260970.db2.gz KWECQVYBLSEWIB-LBPRGKRZSA-N 1 3 301.350 0.854 20 0 DCADHO CC(=O)Nc1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)ncn1 ZINC001218609900 774261767 /nfs/dbraw/zinc/26/17/67/774261767.db2.gz LMAUGTVPHSBEJT-NSHDSACASA-N 1 3 308.386 0.433 20 0 DCADHO N[C@@H]1C[NH2+][C@H](C(=O)Nc2ncnc3c2cnn3-c2ccccc2)C1 ZINC001218610728 774262735 /nfs/dbraw/zinc/26/27/35/774262735.db2.gz XKZGAYWGVPSTGU-GWCFXTLKSA-N 1 3 323.360 0.443 20 0 DCADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218714418 774286748 /nfs/dbraw/zinc/28/67/48/774286748.db2.gz YKRVCJLWPBEXAR-MXWKQRLJSA-N 1 3 322.365 0.436 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746627 774295203 /nfs/dbraw/zinc/29/52/03/774295203.db2.gz LUFUPHYHGVIQRU-AWEZNQCLSA-N 1 3 307.398 0.313 20 0 DCADHO O=C(Nc1cccc2c1CNC2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001218994803 774343398 /nfs/dbraw/zinc/34/33/98/774343398.db2.gz PDUJKQREBJEGDM-CYBMUJFWSA-N 1 3 314.389 0.344 20 0 DCADHO CN(CC(=O)Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[NH2+]C1 ZINC001219028164 774349745 /nfs/dbraw/zinc/34/97/45/774349745.db2.gz RUCNGHHJQGIIQX-HNNXBMFYSA-N 1 3 318.421 0.791 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200634604 774381083 /nfs/dbraw/zinc/38/10/83/774381083.db2.gz HCJYRWBHLWPKBW-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC001219163897 774395255 /nfs/dbraw/zinc/39/52/55/774395255.db2.gz MFFGBGWCGPCWKH-GFCCVEGCSA-N 1 3 310.373 0.667 20 0 DCADHO CN[C@H](C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1)[C@@H](C)O ZINC001219283606 774434969 /nfs/dbraw/zinc/43/49/69/774434969.db2.gz VQWXOEWXOBYEDM-BMIGLBTASA-N 1 3 324.400 0.462 20 0 DCADHO [NH3+]C1CCN(c2cccc(F)c2NC(=O)[C@H]2CNCCN2)CC1 ZINC001219290775 774437178 /nfs/dbraw/zinc/43/71/78/774437178.db2.gz LGCRWYDRFLMDKS-CYBMUJFWSA-N 1 3 321.400 0.253 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219302990 774441024 /nfs/dbraw/zinc/44/10/24/774441024.db2.gz DVMCKYDIABDZIB-ZDUSSCGKSA-N 1 3 311.357 0.869 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201481833 774520970 /nfs/dbraw/zinc/52/09/70/774520970.db2.gz GWHQHIDVOSLLKA-OCCSQVGLSA-N 1 3 310.398 0.194 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1cncc2c1CCNC2 ZINC001219613586 774557882 /nfs/dbraw/zinc/55/78/82/774557882.db2.gz NIBVTOOZMWMRAR-CYBMUJFWSA-N 1 3 314.311 0.752 20 0 DCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)N2 ZINC001219686944 774578713 /nfs/dbraw/zinc/57/87/13/774578713.db2.gz ASPZLKZNEAZGST-ZIAGYGMSSA-N 1 3 302.378 0.431 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCCF)C1 ZINC001201924453 774582307 /nfs/dbraw/zinc/58/23/07/774582307.db2.gz LXJJUTHQNMGAAG-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCCF)C1 ZINC001201924453 774582310 /nfs/dbraw/zinc/58/23/10/774582310.db2.gz LXJJUTHQNMGAAG-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO N[C@H](C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C1Cc2ccccc2C1 ZINC001219737480 774594999 /nfs/dbraw/zinc/59/49/99/774594999.db2.gz XEDGWIAIVSREMZ-HOTGVXAUSA-N 1 3 315.417 0.223 20 0 DCADHO O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)c1[nH]nc2c1CNCC2 ZINC001219747447 774598468 /nfs/dbraw/zinc/59/84/68/774598468.db2.gz VPQOZUYFKSZFEU-LLVKDONJSA-N 1 3 319.409 0.086 20 0 DCADHO O=C(C[C@H]1CNCCO1)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788133 774607534 /nfs/dbraw/zinc/60/75/34/774607534.db2.gz OROSNCQNSFSKLS-ZFWWWQNUSA-N 1 3 306.410 0.092 20 0 DCADHO COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202163898 774609443 /nfs/dbraw/zinc/60/94/43/774609443.db2.gz JSFMIIUZPCAFLD-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831226 774623390 /nfs/dbraw/zinc/62/33/90/774623390.db2.gz CHXCMQGNRXZPEB-NCOADZHNSA-N 1 3 317.433 0.830 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219847450 774626042 /nfs/dbraw/zinc/62/60/42/774626042.db2.gz HIASLVPGGDNYTM-CBBWQLFWSA-N 1 3 307.438 0.792 20 0 DCADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219856331 774629553 /nfs/dbraw/zinc/62/95/53/774629553.db2.gz ILZQRFBQPHQHEE-OVYGPGRDSA-N 1 3 315.417 0.973 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202495752 774722082 /nfs/dbraw/zinc/72/20/82/774722082.db2.gz HZIXUNQPRFMBDV-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496098 774724810 /nfs/dbraw/zinc/72/48/10/774724810.db2.gz OHXHGYKNTIVMHO-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220260937 774748788 /nfs/dbraw/zinc/74/87/88/774748788.db2.gz LFDQYCDSHBJNTI-KBPBESRZSA-N 1 3 307.442 0.879 20 0 DCADHO O=C(CCNC(=O)[C@H]1C[NH2+]CC12CNC2)Nc1ccc(F)cc1 ZINC001220266010 774749963 /nfs/dbraw/zinc/74/99/63/774749963.db2.gz FPWXTNSROHMGCD-CYBMUJFWSA-N 1 3 320.368 0.080 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O)N(C)C ZINC001220290181 774760025 /nfs/dbraw/zinc/76/00/25/774760025.db2.gz QBMPILCLGLGVFJ-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O)N(C)C ZINC001220290181 774760028 /nfs/dbraw/zinc/76/00/28/774760028.db2.gz QBMPILCLGLGVFJ-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC001114353486 774811364 /nfs/dbraw/zinc/81/13/64/774811364.db2.gz SOBDETPZLNGMAT-RQJABVFESA-N 1 3 301.406 0.359 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001114353486 774811373 /nfs/dbraw/zinc/81/13/73/774811373.db2.gz SOBDETPZLNGMAT-RQJABVFESA-N 1 3 301.406 0.359 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220517683 774832258 /nfs/dbraw/zinc/83/22/58/774832258.db2.gz VXHHZPHSTSXNCM-HZPDHXFCSA-N 1 3 304.438 0.877 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220517554 774832695 /nfs/dbraw/zinc/83/26/95/774832695.db2.gz PUVUEWQGLLWMES-RDVIWEACSA-N 1 3 308.470 0.537 20 0 DCADHO CCOC(=O)C1=C(NC(=O)c2ccc3c(c2)CNC3)CC[NH2+]C1 ZINC001220525614 774835696 /nfs/dbraw/zinc/83/56/96/774835696.db2.gz LXEMDXZGJXDWCH-UHFFFAOYSA-N 1 3 315.373 0.830 20 0 DCADHO COC(=O)C[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cccnc1 ZINC001220530444 774837163 /nfs/dbraw/zinc/83/71/63/774837163.db2.gz QMKGRCKZRQSSGE-HIFRSBDPSA-N 1 3 320.393 0.129 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)CCC1 ZINC001114406848 774843335 /nfs/dbraw/zinc/84/33/35/774843335.db2.gz LZMGQMNSYBKKCH-ZSHCYNCHSA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)CCC1 ZINC001114406848 774843345 /nfs/dbraw/zinc/84/33/45/774843345.db2.gz LZMGQMNSYBKKCH-ZSHCYNCHSA-N 1 3 321.465 0.944 20 0 DCADHO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1)OC ZINC001114406918 774844121 /nfs/dbraw/zinc/84/41/21/774844121.db2.gz MZYINJNCGXDYTH-KBXIAJHMSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1)OC ZINC001114406918 774844132 /nfs/dbraw/zinc/84/41/32/774844132.db2.gz MZYINJNCGXDYTH-KBXIAJHMSA-N 1 3 309.454 0.942 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21)C1CCC1 ZINC001114414272 774852043 /nfs/dbraw/zinc/85/20/43/774852043.db2.gz PMQWESLNBKWPPB-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21)C1CCC1 ZINC001114414272 774852051 /nfs/dbraw/zinc/85/20/51/774852051.db2.gz PMQWESLNBKWPPB-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@H](N)CCC[NH3+] ZINC001220628176 774868841 /nfs/dbraw/zinc/86/88/41/774868841.db2.gz UCPVGYSSMRSTJQ-CJNGLKHVSA-N 1 3 307.394 0.343 20 0 DCADHO O=C(N[C@@H]1COCc2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220658792 774879221 /nfs/dbraw/zinc/87/92/21/774879221.db2.gz XJZPXQZCLCNQAT-FRFSOERESA-N 1 3 301.390 0.573 20 0 DCADHO CC(C)(CC(=O)N1CCCC1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220687004 774890518 /nfs/dbraw/zinc/89/05/18/774890518.db2.gz BXFUJNOCEFRQNK-CXAGYDPISA-N 1 3 322.453 0.093 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001114483830 774894725 /nfs/dbraw/zinc/89/47/25/774894725.db2.gz NEAQDDHLUCMMEX-BYNSBNAKSA-N 1 3 309.454 0.800 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001114483830 774894734 /nfs/dbraw/zinc/89/47/34/774894734.db2.gz NEAQDDHLUCMMEX-BYNSBNAKSA-N 1 3 309.454 0.800 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC001220706663 774897208 /nfs/dbraw/zinc/89/72/08/774897208.db2.gz IBDGFXPBQXLOMA-HNNXBMFYSA-N 1 3 301.394 0.614 20 0 DCADHO O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220955912 774961744 /nfs/dbraw/zinc/96/17/44/774961744.db2.gz RPELTJDCADSXRO-NWDGAFQWSA-N 1 3 307.781 0.699 20 0 DCADHO COC(=O)c1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)[nH]1 ZINC001221079497 774991272 /nfs/dbraw/zinc/99/12/72/774991272.db2.gz CBLBADQPAONRGB-LBPRGKRZSA-N 1 3 320.393 0.292 20 0 DCADHO COC(=O)c1ccc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)[nH]1 ZINC001221079497 774991276 /nfs/dbraw/zinc/99/12/76/774991276.db2.gz CBLBADQPAONRGB-LBPRGKRZSA-N 1 3 320.393 0.292 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221125811 775002000 /nfs/dbraw/zinc/00/20/00/775002000.db2.gz KBGLFUKDINPASN-HNNXBMFYSA-N 1 3 319.453 0.956 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221125811 775002007 /nfs/dbraw/zinc/00/20/07/775002007.db2.gz KBGLFUKDINPASN-HNNXBMFYSA-N 1 3 319.453 0.956 20 0 DCADHO COc1cccnc1C(C)(C)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221170595 775016107 /nfs/dbraw/zinc/01/61/07/775016107.db2.gz OJIMGRPRTFAQMF-CQSZACIVSA-N 1 3 320.437 0.811 20 0 DCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)c1cc2c(s1)CNCC2 ZINC001221190667 775022322 /nfs/dbraw/zinc/02/23/22/775022322.db2.gz XXQJWQORHXETML-JTQLQIEISA-N 1 3 311.407 0.404 20 0 DCADHO O=C(N[C@H](c1ncccc1F)C1CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221218779 775031260 /nfs/dbraw/zinc/03/12/60/775031260.db2.gz GBQAPXOFKWFFDK-AAEUAGOBSA-N 1 3 304.369 0.597 20 0 DCADHO O=C(NC1(Cc2ccc(O)cc2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221329195 775070365 /nfs/dbraw/zinc/07/03/65/775070365.db2.gz IVUNRVNWUOZMQN-AWEZNQCLSA-N 1 3 301.390 0.393 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221390247 775082119 /nfs/dbraw/zinc/08/21/19/775082119.db2.gz CGFOZSPNXVRXQA-WFASDCNBSA-N 1 3 304.438 0.943 20 0 DCADHO C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001221402604 775087681 /nfs/dbraw/zinc/08/76/81/775087681.db2.gz JNGGIEZCJHTDMZ-AKIQGSOASA-N 1 3 303.472 0.319 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001222088771 775266486 /nfs/dbraw/zinc/26/64/86/775266486.db2.gz XPXGCCZPNWSJQY-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001222088770 775267120 /nfs/dbraw/zinc/26/71/20/775267120.db2.gz XPXGCCZPNWSJQY-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095784411 775668492 /nfs/dbraw/zinc/66/84/92/775668492.db2.gz QLHBBEMAYFXITE-JYLOQLTNSA-N 1 3 305.422 0.591 20 0 DCADHO CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095784411 775668494 /nfs/dbraw/zinc/66/84/94/775668494.db2.gz QLHBBEMAYFXITE-JYLOQLTNSA-N 1 3 305.422 0.591 20 0 DCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001095812941 775748798 /nfs/dbraw/zinc/74/87/98/775748798.db2.gz VGHACBIAZZZOQS-QZWWFDLISA-N 1 3 321.465 0.965 20 0 DCADHO CCn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366889 776075898 /nfs/dbraw/zinc/07/58/98/776075898.db2.gz WHBNNPRZVXULBO-HUUCEWRRSA-N 1 3 322.457 0.767 20 0 DCADHO Cc1nc(C)n(CCN2CCC(NC(=O)CC[NH+](C)C)CC2)n1 ZINC001228999792 776147438 /nfs/dbraw/zinc/14/74/38/776147438.db2.gz WBSFHLHOQYXACL-UHFFFAOYSA-N 1 3 322.457 0.427 20 0 DCADHO CCn1cc(CCN2CCC(NC(=O)CC[NH+](C)C)CC2)cn1 ZINC001228999798 776147547 /nfs/dbraw/zinc/14/75/47/776147547.db2.gz WPLSKSHFPGBEOZ-UHFFFAOYSA-N 1 3 321.469 0.978 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115535177 776156024 /nfs/dbraw/zinc/15/60/24/776156024.db2.gz MHIPVJAOCAHQNZ-AWEZNQCLSA-N 1 3 324.469 0.753 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)C2CC[NH+](C)CC2)cn1 ZINC001317623310 945123335 /nfs/dbraw/zinc/12/33/35/945123335.db2.gz KEULWVFQAMSLCE-UHFFFAOYSA-N 1 3 305.426 0.675 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)CC1CC[NH+](C)CC1 ZINC001317635989 945131368 /nfs/dbraw/zinc/13/13/68/945131368.db2.gz KEGGSIZJYWGMQW-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO C[N@@H+]1CCC[C@@H](CN2C[C@H]3C[C@@]3(C(=O)Nc3nnco3)C2)C1 ZINC001278141988 945153641 /nfs/dbraw/zinc/15/36/41/945153641.db2.gz CQUPVPJSYJPKBQ-LALPHHSUSA-N 1 3 305.382 0.672 20 0 DCADHO C[N@H+]1CCC[C@@H](CN2C[C@H]3C[C@@]3(C(=O)Nc3nnco3)C2)C1 ZINC001278141988 945153643 /nfs/dbraw/zinc/15/36/43/945153643.db2.gz CQUPVPJSYJPKBQ-LALPHHSUSA-N 1 3 305.382 0.672 20 0 DCADHO C[N@@H+]1CCC[C@H](CN2CC3(C[C@@H]3C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278148117 945155302 /nfs/dbraw/zinc/15/53/02/945155302.db2.gz LYHGBBSQIUXMOJ-DZGCQCFKSA-N 1 3 317.437 0.690 20 0 DCADHO C[N@H+]1CCC[C@H](CN2CC3(C[C@@H]3C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278148117 945155308 /nfs/dbraw/zinc/15/53/08/945155308.db2.gz LYHGBBSQIUXMOJ-DZGCQCFKSA-N 1 3 317.437 0.690 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H](CO)[NH2+]CCCF)C1 ZINC001278154432 945158255 /nfs/dbraw/zinc/15/82/55/945158255.db2.gz DGGXFBGXRHPXRL-IUODEOHRSA-N 1 3 321.412 0.625 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)CCOCC1CCC1 ZINC001266350262 939089103 /nfs/dbraw/zinc/08/91/03/939089103.db2.gz JCPRXDRSMHIQGI-UHFFFAOYSA-N 1 3 309.454 0.947 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001266551990 939161396 /nfs/dbraw/zinc/16/13/96/939161396.db2.gz HMACVHLQIZSRET-ZFWWWQNUSA-N 1 3 322.409 0.338 20 0 DCADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266731080 939223135 /nfs/dbraw/zinc/22/31/35/939223135.db2.gz QFUNJSNXMKZOKJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266731080 939223137 /nfs/dbraw/zinc/22/31/37/939223137.db2.gz QFUNJSNXMKZOKJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCN2CCCC2=O)CC1 ZINC001266911175 939275070 /nfs/dbraw/zinc/27/50/70/939275070.db2.gz HABDVXMTJGTYHV-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)COC1CC[NH+](C)CC1 ZINC001267446934 939458608 /nfs/dbraw/zinc/45/86/08/939458608.db2.gz FDBZMKZSXDYXQT-UHFFFAOYSA-N 1 3 323.441 0.079 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001267470188 939468733 /nfs/dbraw/zinc/46/87/33/939468733.db2.gz YICARSXXYVUMOZ-ZDUSSCGKSA-N 1 3 324.425 0.499 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001481231578 939654695 /nfs/dbraw/zinc/65/46/95/939654695.db2.gz GUPJTOOPWPIPBU-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)N2CCCCC2)CC[N@H+]1C ZINC001481231578 939654697 /nfs/dbraw/zinc/65/46/97/939654697.db2.gz GUPJTOOPWPIPBU-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(N)=O ZINC001481246905 939668804 /nfs/dbraw/zinc/66/88/04/939668804.db2.gz BYQBXOWQFBLXIA-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)N(C)C ZINC001408836341 939689303 /nfs/dbraw/zinc/68/93/03/939689303.db2.gz ZLNFUISQOLGZTG-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001481315296 939742991 /nfs/dbraw/zinc/74/29/91/939742991.db2.gz VMRRVOGXFZVUEL-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001481315296 939742993 /nfs/dbraw/zinc/74/29/93/939742993.db2.gz VMRRVOGXFZVUEL-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001481320027 939746977 /nfs/dbraw/zinc/74/69/77/939746977.db2.gz TVYFBMVJKZTJEB-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268085154 939931702 /nfs/dbraw/zinc/93/17/02/939931702.db2.gz GYNHWDWRFKKUEH-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CCCC[NH+](C)C ZINC001268096125 939946455 /nfs/dbraw/zinc/94/64/55/939946455.db2.gz YUZQZXMVBQDOKI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1)N(C)C ZINC001408924767 940189193 /nfs/dbraw/zinc/18/91/93/940189193.db2.gz VMANNIQOOYPJHB-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1)N(C)C ZINC001408924767 940189195 /nfs/dbraw/zinc/18/91/95/940189195.db2.gz VMANNIQOOYPJHB-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCCN(C)C1=O ZINC001482107029 940259168 /nfs/dbraw/zinc/25/91/68/940259168.db2.gz FLOKNWKDUNNSSA-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C(=O)CC[NH+](C)C)C2CC2)C1 ZINC001408945823 940279009 /nfs/dbraw/zinc/27/90/09/940279009.db2.gz PZLYBBMYFAMWGK-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO COc1cccc([C@H](O)CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001246030819 945326429 /nfs/dbraw/zinc/32/64/29/945326429.db2.gz PCRNQXSXKAMXCS-MRXNPFEDSA-N 1 3 305.422 0.756 20 0 DCADHO CCOC(=O)C1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246081275 945335628 /nfs/dbraw/zinc/33/56/28/945335628.db2.gz JLOISYMOJQQIGN-NSOJWWLLSA-N 1 3 302.390 0.760 20 0 DCADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)C1=O ZINC001270173559 940849255 /nfs/dbraw/zinc/84/92/55/940849255.db2.gz CUNQYSHQLIHGTH-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOCC2CC2)C1 ZINC001318444692 945365111 /nfs/dbraw/zinc/36/51/11/945365111.db2.gz FNWNJLPDMXFYCM-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOCC2CC2)C1 ZINC001318444692 945365123 /nfs/dbraw/zinc/36/51/23/945365123.db2.gz FNWNJLPDMXFYCM-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482390899 941035561 /nfs/dbraw/zinc/03/55/61/941035561.db2.gz JKADNBDETSJXPX-MELADBBJSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482390899 941035565 /nfs/dbraw/zinc/03/55/65/941035565.db2.gz JKADNBDETSJXPX-MELADBBJSA-N 1 3 312.458 0.323 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001482432183 941218867 /nfs/dbraw/zinc/21/88/67/941218867.db2.gz GGSHCCUXLNSIGT-DZGCQCFKSA-N 1 3 324.425 0.442 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001482450265 941245016 /nfs/dbraw/zinc/24/50/16/941245016.db2.gz LLAMXSZWUHZMAG-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCn4ccnc4)C[C@H]32)C1 ZINC001271223056 941328397 /nfs/dbraw/zinc/32/83/97/941328397.db2.gz LXEYWOMOOUSHEL-ARFHVFGLSA-N 1 3 317.437 0.368 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCn4ccnc4)C[C@H]32)C1 ZINC001271223056 941328399 /nfs/dbraw/zinc/32/83/99/941328399.db2.gz LXEYWOMOOUSHEL-ARFHVFGLSA-N 1 3 317.437 0.368 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482925697 941713712 /nfs/dbraw/zinc/71/37/12/941713712.db2.gz WDGWPRKLVAIWEQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482925697 941713716 /nfs/dbraw/zinc/71/37/16/941713716.db2.gz WDGWPRKLVAIWEQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001483009671 941773815 /nfs/dbraw/zinc/77/38/15/941773815.db2.gz VKKODYLIJPKYOG-FRVVEFSOSA-N 1 3 310.442 0.065 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001483009671 941773818 /nfs/dbraw/zinc/77/38/18/941773818.db2.gz VKKODYLIJPKYOG-FRVVEFSOSA-N 1 3 310.442 0.065 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001483038052 941791917 /nfs/dbraw/zinc/79/19/17/941791917.db2.gz RPNKJXHIKHTOLS-NPQIQWPPSA-N 1 3 324.469 0.634 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)n1 ZINC001483137997 941903468 /nfs/dbraw/zinc/90/34/68/941903468.db2.gz UQLVKZLIAMKHGD-GFCCVEGCSA-N 1 3 322.457 0.474 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cccn1 ZINC001483232499 941975106 /nfs/dbraw/zinc/97/51/06/941975106.db2.gz DBHPHOXRMUVUHO-LSDHHAIUSA-N 1 3 307.442 0.852 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001409432468 941997157 /nfs/dbraw/zinc/99/71/57/941997157.db2.gz MAIFNNXWUDWVBL-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483274704 942226189 /nfs/dbraw/zinc/22/61/89/942226189.db2.gz LQONSZLSZRKMNJ-QWHCGFSZSA-N 1 3 320.437 0.591 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483274705 942226493 /nfs/dbraw/zinc/22/64/93/942226493.db2.gz LQONSZLSZRKMNJ-STQMWFEESA-N 1 3 320.437 0.591 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284451 942238459 /nfs/dbraw/zinc/23/84/59/942238459.db2.gz NJQWDYCLEZBERA-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483378086 942312568 /nfs/dbraw/zinc/31/25/68/942312568.db2.gz MUWFHOVQDKDPGY-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001483560276 942418067 /nfs/dbraw/zinc/41/80/67/942418067.db2.gz DJKIXAWLFPLJDR-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001483598521 942456563 /nfs/dbraw/zinc/45/65/63/942456563.db2.gz NKNRSLUKPBCAPK-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001483598521 942456565 /nfs/dbraw/zinc/45/65/65/942456565.db2.gz NKNRSLUKPBCAPK-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO COC(=O)CCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272499445 942787869 /nfs/dbraw/zinc/78/78/69/942787869.db2.gz XBUCUAVMPKBISU-INIZCTEOSA-N 1 3 311.426 0.426 20 0 DCADHO COC(=O)CCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272499445 942787873 /nfs/dbraw/zinc/78/78/73/942787873.db2.gz XBUCUAVMPKBISU-INIZCTEOSA-N 1 3 311.426 0.426 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001272524866 942803373 /nfs/dbraw/zinc/80/33/73/942803373.db2.gz VVLMDQDVLRFPHE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccnn1C)N(C)C ZINC001483944846 943042094 /nfs/dbraw/zinc/04/20/94/943042094.db2.gz HFUJUQCSRNOPSB-HOTGVXAUSA-N 1 3 321.469 0.883 20 0 DCADHO Cn1nncc1CNCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484548349 943448649 /nfs/dbraw/zinc/44/86/49/943448649.db2.gz BVORDIKSJXUQKE-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1nncc1CNCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484548349 943448651 /nfs/dbraw/zinc/44/86/51/943448651.db2.gz BVORDIKSJXUQKE-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001484663351 943499413 /nfs/dbraw/zinc/49/94/13/943499413.db2.gz QLBXAJQGLLCCTA-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001484679246 943509541 /nfs/dbraw/zinc/50/95/41/943509541.db2.gz ADPMOIITXATOFN-FBVTZJDUSA-N 1 3 303.834 0.896 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@]23CCOC3)C1 ZINC001491079535 943736331 /nfs/dbraw/zinc/73/63/31/943736331.db2.gz DERSDIIVONECKB-PNBKFKSVSA-N 1 3 309.454 0.990 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CNCc2cn(C)nn2)C1 ZINC001491178555 943806940 /nfs/dbraw/zinc/80/69/40/943806940.db2.gz FCBFUNIGWPXSNL-AWEZNQCLSA-N 1 3 322.457 0.485 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CNCc2cn(C)nn2)C1 ZINC001491178555 943806946 /nfs/dbraw/zinc/80/69/46/943806946.db2.gz FCBFUNIGWPXSNL-AWEZNQCLSA-N 1 3 322.457 0.485 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNC(=O)CN1CCC(C)(C)C1 ZINC001491527310 944075763 /nfs/dbraw/zinc/07/57/63/944075763.db2.gz CBQLSSPCGYOIPS-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO COCCOCN1CCC2(C[NH+](C[C@@H]3CCCN(C)C3)C2)C1 ZINC001276496834 944191916 /nfs/dbraw/zinc/19/19/16/944191916.db2.gz NHSJIFSTIUVZQX-MRXNPFEDSA-N 1 3 311.470 0.956 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001485959311 944448177 /nfs/dbraw/zinc/44/81/77/944448177.db2.gz OXTYKIKGYBGKNX-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001486123196 944579811 /nfs/dbraw/zinc/57/98/11/944579811.db2.gz ZEMWTYHVLNPHJL-OCCSQVGLSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@H](NCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001493593531 944641015 /nfs/dbraw/zinc/64/10/15/944641015.db2.gz YRHUNACLQSSWBI-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)N1CCCCCC1 ZINC001486301987 944744719 /nfs/dbraw/zinc/74/47/19/944744719.db2.gz BENVDARRRKKDAH-LSDHHAIUSA-N 1 3 315.458 0.042 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355616 944781245 /nfs/dbraw/zinc/78/12/45/944781245.db2.gz KYIMDHCIUYOUAG-QWHCGFSZSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277355616 944781252 /nfs/dbraw/zinc/78/12/52/944781252.db2.gz KYIMDHCIUYOUAG-QWHCGFSZSA-N 1 3 308.430 0.141 20 0 DCADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4cn[nH]n4)(C2)C3)CC1 ZINC001277378305 944793744 /nfs/dbraw/zinc/79/37/44/944793744.db2.gz FDUQZOXZWCWPGB-UHFFFAOYSA-N 1 3 318.425 0.370 20 0 DCADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4c[nH]nn4)(C2)C3)CC1 ZINC001277378305 944793749 /nfs/dbraw/zinc/79/37/49/944793749.db2.gz FDUQZOXZWCWPGB-UHFFFAOYSA-N 1 3 318.425 0.370 20 0 DCADHO CNC(=O)C(C)(C)[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001277640091 944923127 /nfs/dbraw/zinc/92/31/27/944923127.db2.gz YILXQNUJXGWGLD-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO O=C1CNCCN1CC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246354437 945391459 /nfs/dbraw/zinc/39/14/59/945391459.db2.gz FGMLYCQAIGMSMW-HOTGVXAUSA-N 1 3 302.422 0.501 20 0 DCADHO O=C1CNCCN1CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246354437 945391467 /nfs/dbraw/zinc/39/14/67/945391467.db2.gz FGMLYCQAIGMSMW-HOTGVXAUSA-N 1 3 302.422 0.501 20 0 DCADHO O=C(C1CCOCC1)N1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246366702 945397785 /nfs/dbraw/zinc/39/77/85/945397785.db2.gz PTXXNHZISUPXTM-UHFFFAOYSA-N 1 3 309.454 0.993 20 0 DCADHO COCCC1(N[C@H]2CC[NH2+][C@@H](C)C2)CCS(=O)(=O)CC1 ZINC001246391857 945402240 /nfs/dbraw/zinc/40/22/40/945402240.db2.gz PKKWQMMMWJYGQM-STQMWFEESA-N 1 3 304.456 0.700 20 0 DCADHO COCCC1([NH2+][C@H]2CCN[C@@H](C)C2)CCS(=O)(=O)CC1 ZINC001246391857 945402245 /nfs/dbraw/zinc/40/22/45/945402245.db2.gz PKKWQMMMWJYGQM-STQMWFEESA-N 1 3 304.456 0.700 20 0 DCADHO CC[C@@H]1C[C@H](N2CCOC[C@]3(CNCCO3)C2)C[C@H](CC)[NH2+]1 ZINC001246599603 945441675 /nfs/dbraw/zinc/44/16/75/945441675.db2.gz DOJIDLPBQUYLDG-HZMVEIRTSA-N 1 3 311.470 0.986 20 0 DCADHO c1nnn([C@@H]2CCC[C@@H](N3CC[NH2+]C[C@]4(CCCCN4)C3)C2)n1 ZINC001246637622 945448989 /nfs/dbraw/zinc/44/89/89/945448989.db2.gz ZAOMHHXDXUHFPI-BZUAXINKSA-N 1 3 319.457 0.574 20 0 DCADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001246701895 945464825 /nfs/dbraw/zinc/46/48/25/945464825.db2.gz GACCQOIWELCBRX-KNABHZPTSA-N 1 3 307.438 0.742 20 0 DCADHO O=C(c1nn([C@@H]2CCC[NH2+]C2)c2c1CNCC2)N1CC=CC1 ZINC001246704620 945464976 /nfs/dbraw/zinc/46/49/76/945464976.db2.gz IABFLEBGSLLVOB-GFCCVEGCSA-N 1 3 301.394 0.465 20 0 DCADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCN[C@H](C)C2)O1 ZINC001246705186 945465717 /nfs/dbraw/zinc/46/57/17/945465717.db2.gz XORMBSZOJHOTJX-RYPNDVFKSA-N 1 3 311.426 0.121 20 0 DCADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCN[C@H](C)C2)O1 ZINC001246705186 945465722 /nfs/dbraw/zinc/46/57/22/945465722.db2.gz XORMBSZOJHOTJX-RYPNDVFKSA-N 1 3 311.426 0.121 20 0 DCADHO C[C@@H]1CC[C@H](N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)C[NH2+]1 ZINC001246710304 945468613 /nfs/dbraw/zinc/46/86/13/945468613.db2.gz QXGUCMRBCHKHBG-FXUDXRNXSA-N 1 3 317.437 0.754 20 0 DCADHO C[C@@H]1C[C@@H](N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CC[NH2+]1 ZINC001246737373 945477490 /nfs/dbraw/zinc/47/74/90/945477490.db2.gz BJZLHOJROCJGTG-KEYYUXOJSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCN1 ZINC001246737373 945477494 /nfs/dbraw/zinc/47/74/94/945477494.db2.gz BJZLHOJROCJGTG-KEYYUXOJSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCN1 ZINC001246737373 945477499 /nfs/dbraw/zinc/47/74/99/945477499.db2.gz BJZLHOJROCJGTG-KEYYUXOJSA-N 1 3 317.437 0.989 20 0 DCADHO FC(F)(F)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246861557 945506976 /nfs/dbraw/zinc/50/69/76/945506976.db2.gz KTBIJIRIYAUMPB-VIFPVBQESA-N 1 3 315.343 0.814 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCc1cnn(C)c1 ZINC001319243319 945531510 /nfs/dbraw/zinc/53/15/10/945531510.db2.gz CMZBAURPDJTWQD-LSDHHAIUSA-N 1 3 321.469 0.646 20 0 DCADHO c1cnc2cc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)ccc2n1 ZINC001247832265 945575805 /nfs/dbraw/zinc/57/58/05/945575805.db2.gz XDNXWSACBVHTCS-LLVKDONJSA-N 1 3 308.345 0.956 20 0 DCADHO COCOc1ccccc1-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247828817 945576649 /nfs/dbraw/zinc/57/66/49/945576649.db2.gz GDERLOJUJUUUGW-GFCCVEGCSA-N 1 3 316.361 0.996 20 0 DCADHO CCC[C@@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252782930 946002326 /nfs/dbraw/zinc/00/23/26/946002326.db2.gz WYTZFLLNXIFBSJ-QXSJWSMHSA-N 1 3 307.442 0.834 20 0 DCADHO CCC[C@@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252782930 946002337 /nfs/dbraw/zinc/00/23/37/946002337.db2.gz WYTZFLLNXIFBSJ-QXSJWSMHSA-N 1 3 307.442 0.834 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001410230235 946067697 /nfs/dbraw/zinc/06/76/97/946067697.db2.gz VFIWZKXIZQBTHT-UMVBOHGHSA-N 1 3 322.457 0.386 20 0 DCADHO CC[NH+](CC)C[C@@H](O)CNc1ncnc2[nH]cc(C(=O)OC)c21 ZINC001253181266 946084277 /nfs/dbraw/zinc/08/42/77/946084277.db2.gz RUJDROQZUDUAOR-JTQLQIEISA-N 1 3 321.381 0.811 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+]C1(CC(=O)OC)CCOCC1 ZINC001253213090 946096693 /nfs/dbraw/zinc/09/66/93/946096693.db2.gz KZNFRZDCQFJHTE-ZDUSSCGKSA-N 1 3 302.415 0.391 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCN2CCCC2=O)C1 ZINC001321252757 946238255 /nfs/dbraw/zinc/23/82/55/946238255.db2.gz XIBTWRPYPYWOCB-MPNWYJEXSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001321336023 946282763 /nfs/dbraw/zinc/28/27/63/946282763.db2.gz IZALUEPKGNIWJQ-KBIGUFJUSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001321336023 946282766 /nfs/dbraw/zinc/28/27/66/946282766.db2.gz IZALUEPKGNIWJQ-KBIGUFJUSA-N 1 3 322.453 0.257 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001410394500 946299606 /nfs/dbraw/zinc/29/96/06/946299606.db2.gz MZUZWYSSNHBBPP-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001410394500 946299614 /nfs/dbraw/zinc/29/96/14/946299614.db2.gz MZUZWYSSNHBBPP-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nccc1CC[NH2+]C/C=C\CNC(=O)CN1CCCC1 ZINC001321406487 946316380 /nfs/dbraw/zinc/31/63/80/946316380.db2.gz XAQLNNFXNJKJNV-IHWYPQMZSA-N 1 3 305.426 0.320 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001410418376 946334717 /nfs/dbraw/zinc/33/47/17/946334717.db2.gz HYAIBTHWPFGZHT-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001410436637 946368768 /nfs/dbraw/zinc/36/87/68/946368768.db2.gz NWMAYHRTQMTDTH-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001410447362 946389053 /nfs/dbraw/zinc/38/90/53/946389053.db2.gz YXZUAFQKIXHLHM-KBPBESRZSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001410446683 946389591 /nfs/dbraw/zinc/38/95/91/946389591.db2.gz XMCQSDLYMANILM-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001410446683 946389599 /nfs/dbraw/zinc/38/95/99/946389599.db2.gz XMCQSDLYMANILM-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[N@@H+]1CCC[C@H](NCCOCCOCCOCCO)CC1 ZINC001254501833 946399929 /nfs/dbraw/zinc/39/99/29/946399929.db2.gz YXOCLPQPMNUUEF-HNNXBMFYSA-N 1 3 304.431 0.102 20 0 DCADHO C[N@H+]1CCC[C@H](NCCOCCOCCOCCO)CC1 ZINC001254501833 946399938 /nfs/dbraw/zinc/39/99/38/946399938.db2.gz YXOCLPQPMNUUEF-HNNXBMFYSA-N 1 3 304.431 0.102 20 0 DCADHO CN(C)C(=O)c1nn([C@@H]2CC3CC[NH+](CC3)C2)c2c1CNCC2 ZINC001254857553 946439855 /nfs/dbraw/zinc/43/98/55/946439855.db2.gz BEFNISUTIQRUFY-CYBMUJFWSA-N 1 3 317.437 0.887 20 0 DCADHO CC(C)(C(=O)N1CCO[C@H](C[NH2+]CCCO)C1)N1CCCC1 ZINC001273301516 946450211 /nfs/dbraw/zinc/45/02/11/946450211.db2.gz VPCHKWNGIGNCOH-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NCC1CCC1 ZINC001410511373 946502634 /nfs/dbraw/zinc/50/26/34/946502634.db2.gz SEXYNSWBEBFSCC-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[NH+](CC)CC[C@H](C)NCCCN1CCS(=O)(=O)CC1 ZINC001255950785 946560964 /nfs/dbraw/zinc/56/09/64/946560964.db2.gz LHZDZSIGCMNDPT-HNNXBMFYSA-N 1 3 319.515 0.817 20 0 DCADHO CCN(CC)CC[C@H](C)[NH2+]CCCN1CCS(=O)(=O)CC1 ZINC001255950785 946560976 /nfs/dbraw/zinc/56/09/76/946560976.db2.gz LHZDZSIGCMNDPT-HNNXBMFYSA-N 1 3 319.515 0.817 20 0 DCADHO c1cnc(N2CC([NH2+]C3CCC(N4CCOCC4)CC3)C2)cn1 ZINC001256686758 946655604 /nfs/dbraw/zinc/65/56/04/946655604.db2.gz ULYDDZGQSHHYMP-UHFFFAOYSA-N 1 3 317.437 0.898 20 0 DCADHO C[N@H+](CCN1CCOCC1)C1CCC(N2CCOCC2)CC1 ZINC001256688565 946655694 /nfs/dbraw/zinc/65/56/94/946655694.db2.gz FNKNHBFPWZKLBM-UHFFFAOYSA-N 1 3 311.470 0.894 20 0 DCADHO C[N@@H+](CCN1CCOCC1)C1CCC(N2CCOCC2)CC1 ZINC001256688565 946655697 /nfs/dbraw/zinc/65/56/97/946655697.db2.gz FNKNHBFPWZKLBM-UHFFFAOYSA-N 1 3 311.470 0.894 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001256768760 946660730 /nfs/dbraw/zinc/66/07/30/946660730.db2.gz TZYOJGVJTSXPGG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCC(N([C@@H]2CCC[NH2+]C2)S(C)(=O)=O)CC1 ZINC001257223472 946709715 /nfs/dbraw/zinc/70/97/15/946709715.db2.gz QZMSELRAXCXYQS-CQSZACIVSA-N 1 3 303.472 0.873 20 0 DCADHO CN1CC2(C1)CC[NH+](C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001257240149 946716660 /nfs/dbraw/zinc/71/66/60/946716660.db2.gz AQHUGOBUNNNBEA-UHFFFAOYSA-N 1 3 301.456 0.438 20 0 DCADHO CN(CCC[NH2+]C[C@H]1CCc2ncnn21)C(=O)[C@H]1CCCN1C ZINC001322649347 946759119 /nfs/dbraw/zinc/75/91/19/946759119.db2.gz VIADBNWBQISEDW-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO CCOC(=O)CC[C@@H](C)N1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001258498057 946844218 /nfs/dbraw/zinc/84/42/18/946844218.db2.gz HOSXWDWPQLETSW-CQSZACIVSA-N 1 3 313.442 0.814 20 0 DCADHO CC(C)[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001410726582 946848634 /nfs/dbraw/zinc/84/86/34/946848634.db2.gz OUSUGPQBDDZVON-SWLSCSKDSA-N 1 3 303.422 0.674 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001410842730 947016646 /nfs/dbraw/zinc/01/66/46/947016646.db2.gz FWSXFDSDUAVCLU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001410851501 947029098 /nfs/dbraw/zinc/02/90/98/947029098.db2.gz ATXCMNYYZFUHST-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001410859769 947042363 /nfs/dbraw/zinc/04/23/63/947042363.db2.gz MESVYSTVSCYAAD-DGCLKSJQSA-N 1 3 320.441 0.534 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410868013 947056033 /nfs/dbraw/zinc/05/60/33/947056033.db2.gz QACNFNMQRJYSLG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)C1CC1 ZINC001323499951 947105375 /nfs/dbraw/zinc/10/53/75/947105375.db2.gz FJJFYMNFNPKLNZ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1ccnc1CNC[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001410938866 947151144 /nfs/dbraw/zinc/15/11/44/947151144.db2.gz IGPBUNWCTHNGJH-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](F)CNC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001411074943 947298976 /nfs/dbraw/zinc/29/89/76/947298976.db2.gz IVEKFILGOUBNCP-UONOGXRCSA-N 1 3 303.422 0.485 20 0 DCADHO C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)[C@@H]1CN(C)CCN1C ZINC001462589058 1013072866 /nfs/dbraw/zinc/07/28/66/1013072866.db2.gz JBRSTZKWNHNBKX-ZBFHGGJFSA-N 1 3 312.502 0.446 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001324236662 947362082 /nfs/dbraw/zinc/36/20/82/947362082.db2.gz PQMVMZAQGPGDHA-OAHLLOKOSA-N 1 3 316.409 0.509 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262064283 947545057 /nfs/dbraw/zinc/54/50/57/947545057.db2.gz WMCUOUBJGFFWHZ-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CC[NH2+]C[C@H]1C[C@]12CCOC2)C(=O)CN1CCCC1 ZINC001273753187 948067372 /nfs/dbraw/zinc/06/73/72/948067372.db2.gz RJACQGCGLCPMDU-WBVHZDCISA-N 1 3 309.454 0.947 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001326594017 948209102 /nfs/dbraw/zinc/20/91/02/948209102.db2.gz YUAFKRWXWLUZFR-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCOC[C@@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001252046185 948643356 /nfs/dbraw/zinc/64/33/56/948643356.db2.gz ZEACFGHXFWXXFI-SFHVURJKSA-N 1 3 321.465 0.921 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@H](O)C(C)(C)C)C2)C1=O ZINC001273891085 948663090 /nfs/dbraw/zinc/66/30/90/948663090.db2.gz HWZZXTVGOHOHCB-WMLDXEAASA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)C(C)(C)C)C2)C1=O ZINC001273891085 948663098 /nfs/dbraw/zinc/66/30/98/948663098.db2.gz HWZZXTVGOHOHCB-WMLDXEAASA-N 1 3 311.470 0.879 20 0 DCADHO COC(=O)[C@@H](O)C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383175230 948739712 /nfs/dbraw/zinc/73/97/12/948739712.db2.gz FCDQJVUCEDDBLK-CVEARBPZSA-N 1 3 306.406 0.974 20 0 DCADHO COC(=O)[C@@H](O)C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000383175230 948739721 /nfs/dbraw/zinc/73/97/21/948739721.db2.gz FCDQJVUCEDDBLK-CVEARBPZSA-N 1 3 306.406 0.974 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001328826438 949120995 /nfs/dbraw/zinc/12/09/95/949120995.db2.gz XUIIVIYXROXVKK-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001328826438 949121010 /nfs/dbraw/zinc/12/10/10/949121010.db2.gz XUIIVIYXROXVKK-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)C1CCC1 ZINC001488739862 949124252 /nfs/dbraw/zinc/12/42/52/949124252.db2.gz HWHZGFSIBTVNPN-GASCZTMLSA-N 1 3 319.453 0.852 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCNC1=O ZINC001265129483 949343204 /nfs/dbraw/zinc/34/32/04/949343204.db2.gz MEXZGIUJDMPRMI-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCNC1=O ZINC001265129483 949343229 /nfs/dbraw/zinc/34/32/29/949343229.db2.gz MEXZGIUJDMPRMI-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCCNC1=O ZINC001265129439 949345081 /nfs/dbraw/zinc/34/50/81/949345081.db2.gz LFIAEOGFXLUGJV-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001488954238 949388638 /nfs/dbraw/zinc/38/86/38/949388638.db2.gz GLJFMXMHLIKVBI-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO O[C@H](CN1CCC(O)(C[NH+]2CCCCC2)CC1)C1(O)CCC1 ZINC001364545548 949528491 /nfs/dbraw/zinc/52/84/91/949528491.db2.gz JGTNDUREPSHKAG-OAHLLOKOSA-N 1 3 312.454 0.575 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001489768014 950083517 /nfs/dbraw/zinc/08/35/17/950083517.db2.gz ZPIGEVDEAHZMNV-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO COCCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001265963788 950199995 /nfs/dbraw/zinc/19/99/95/950199995.db2.gz LIJOKVGKAXVNKP-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H](C)C(=O)N(C)C ZINC001266028022 950270398 /nfs/dbraw/zinc/27/03/98/950270398.db2.gz GKHISWXMWNKPIF-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H](C)C(=O)N(C)C ZINC001266028022 950270414 /nfs/dbraw/zinc/27/04/14/950270414.db2.gz GKHISWXMWNKPIF-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001490605306 950943201 /nfs/dbraw/zinc/94/32/01/950943201.db2.gz AVKMFSAXBNZAFF-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001490605306 950943219 /nfs/dbraw/zinc/94/32/19/950943219.db2.gz AVKMFSAXBNZAFF-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2cncn2C)C2CC2)C1 ZINC001490711721 951026103 /nfs/dbraw/zinc/02/61/03/951026103.db2.gz ZZVIILGQXJCIFL-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001490718438 951031673 /nfs/dbraw/zinc/03/16/73/951031673.db2.gz UHSUNFQHPDZUEN-UONOGXRCSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC001331318551 951070690 /nfs/dbraw/zinc/07/06/90/951070690.db2.gz ILEXXTAUCAQEGF-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 ZINC001365618466 951329852 /nfs/dbraw/zinc/32/98/52/951329852.db2.gz GSZDMHVFJFYAIF-FPMFFAJLSA-N 1 3 301.456 0.340 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001365813743 951573296 /nfs/dbraw/zinc/57/32/96/951573296.db2.gz ODKMQAUJJDAATF-OKILXGFUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001365825599 951586386 /nfs/dbraw/zinc/58/63/86/951586386.db2.gz IBZSLRPVNIPJBR-OWCLPIDISA-N 1 3 321.469 0.954 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001365829854 951591768 /nfs/dbraw/zinc/59/17/68/951591768.db2.gz PXZVHYCLRBXNAC-OKILXGFUSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001365861102 951622676 /nfs/dbraw/zinc/62/26/76/951622676.db2.gz PGLOCKQITQHEPF-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C1CC1 ZINC001276173162 952967521 /nfs/dbraw/zinc/96/75/21/952967521.db2.gz CEXBPARRBBGXPT-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001490836748 953066566 /nfs/dbraw/zinc/06/65/66/953066566.db2.gz YKCQJYFHTADHAM-QJPTWQEYSA-N 1 3 323.359 0.584 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C ZINC001339951094 953133290 /nfs/dbraw/zinc/13/32/90/953133290.db2.gz ITYHKBCCPHUQDS-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C ZINC001339951094 953133292 /nfs/dbraw/zinc/13/32/92/953133292.db2.gz ITYHKBCCPHUQDS-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO C[NH2+]CCCN(C)C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001343686943 953365300 /nfs/dbraw/zinc/36/53/00/953365300.db2.gz QNQJJHHXYCTRKT-ZDUSSCGKSA-N 1 3 304.394 0.580 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001366067420 953645415 /nfs/dbraw/zinc/64/54/15/953645415.db2.gz VZRPFKFUMMMQSS-GOEBONIOSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1)[NH+](CC)CC ZINC001366097898 953679608 /nfs/dbraw/zinc/67/96/08/953679608.db2.gz HLWWGGFFGJNTTC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)NCC2CCC2)C1 ZINC001366098860 953683090 /nfs/dbraw/zinc/68/30/90/953683090.db2.gz PPJMYBBOGSLEPC-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001366102442 953688199 /nfs/dbraw/zinc/68/81/99/953688199.db2.gz JXHBABWCGLPENT-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001366104655 953691312 /nfs/dbraw/zinc/69/13/12/953691312.db2.gz UASHJAWUUZVASD-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCC2)C1)N(C)C ZINC001366136864 953726971 /nfs/dbraw/zinc/72/69/71/953726971.db2.gz SYFSSBRPIDVLQO-KKUMJFAQSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366157614 953755729 /nfs/dbraw/zinc/75/57/29/953755729.db2.gz SLVYSQJRARYUKK-VNHYZAJKSA-N 1 3 312.458 0.334 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N2CC[C@H](N3CCCC3)C2)nn1 ZINC001346088674 953799511 /nfs/dbraw/zinc/79/95/11/953799511.db2.gz AYTPYJJOISARIL-ZDUSSCGKSA-N 1 3 306.414 0.327 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001366246151 953886482 /nfs/dbraw/zinc/88/64/82/953886482.db2.gz FXVRIHIMVKHLAN-RUXDESIVSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001366279663 953945839 /nfs/dbraw/zinc/94/58/39/953945839.db2.gz UYKAOOSBNLSAEC-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001366279663 953945849 /nfs/dbraw/zinc/94/58/49/953945849.db2.gz UYKAOOSBNLSAEC-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)CN1CCC[C@@H]1C)[NH+](C)C ZINC001283158104 954078515 /nfs/dbraw/zinc/07/85/15/954078515.db2.gz JBDCBKBSGNSSPW-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CCO[C@@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001366386151 954134159 /nfs/dbraw/zinc/13/41/59/954134159.db2.gz YUIPCWDJJWRYFW-ZFWWWQNUSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001366415624 954169957 /nfs/dbraw/zinc/16/99/57/954169957.db2.gz ZRJGJQHBTXOMFR-QWHCGFSZSA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001283256980 954194939 /nfs/dbraw/zinc/19/49/39/954194939.db2.gz XEEVPEFQKTVRHZ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001283256980 954194945 /nfs/dbraw/zinc/19/49/45/954194945.db2.gz XEEVPEFQKTVRHZ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001366444146 954203037 /nfs/dbraw/zinc/20/30/37/954203037.db2.gz OUQTXXBLRHBWKC-ILXRZTDVSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001366444146 954203048 /nfs/dbraw/zinc/20/30/48/954203048.db2.gz OUQTXXBLRHBWKC-ILXRZTDVSA-N 1 3 315.458 0.257 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001366584771 954466742 /nfs/dbraw/zinc/46/67/42/954466742.db2.gz MFPCPDAVSJPEOM-UHFFFAOYSA-N 1 3 321.425 0.454 20 0 DCADHO C[C@@H](CN(C)C(=O)CCCC[NH+](C)C)N[C@H]1CCN(C)C1=O ZINC001283702534 954547387 /nfs/dbraw/zinc/54/73/87/954547387.db2.gz MYMDXIDJTRAICA-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283928128 954722007 /nfs/dbraw/zinc/72/20/07/954722007.db2.gz QEFMMDYDFUDTAG-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001446945658 1013128545 /nfs/dbraw/zinc/12/85/45/1013128545.db2.gz NXSCFZOQDFMTTJ-ZIAGYGMSSA-N 1 3 322.457 0.482 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001366783197 954843117 /nfs/dbraw/zinc/84/31/17/954843117.db2.gz OAFOBRDSRZEMHR-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)NCC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001366832121 954907711 /nfs/dbraw/zinc/90/77/11/954907711.db2.gz FVLZOSILKSAWIC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001350234050 955027741 /nfs/dbraw/zinc/02/77/41/955027741.db2.gz IUFAKKKHUSIBBU-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001350234050 955027754 /nfs/dbraw/zinc/02/77/54/955027754.db2.gz IUFAKKKHUSIBBU-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001367218270 955472583 /nfs/dbraw/zinc/47/25/83/955472583.db2.gz ZCQRBUASSQFMDX-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001367285130 955589792 /nfs/dbraw/zinc/58/97/92/955589792.db2.gz HRROVLSLOBOWKN-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC001353234319 955989096 /nfs/dbraw/zinc/98/90/96/955989096.db2.gz IIHXCKFARRWDNX-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CCCO1 ZINC001200688032 956416163 /nfs/dbraw/zinc/41/61/63/956416163.db2.gz JJGUUIFDOOUYNN-HUUCEWRRSA-N 1 3 313.442 0.180 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001292854979 957173317 /nfs/dbraw/zinc/17/33/17/957173317.db2.gz FVMYEGOZZBKZNA-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001367358151 957714677 /nfs/dbraw/zinc/71/46/77/957714677.db2.gz OVJYMJZCYWTZNN-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001367358151 957714683 /nfs/dbraw/zinc/71/46/83/957714683.db2.gz OVJYMJZCYWTZNN-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001367367004 957726437 /nfs/dbraw/zinc/72/64/37/957726437.db2.gz VRCSEGGJJXKTCZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367390471 957757415 /nfs/dbraw/zinc/75/74/15/957757415.db2.gz XBNIBGAJHZQXAK-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367422817 957799213 /nfs/dbraw/zinc/79/92/13/957799213.db2.gz AJSWYZJHJVHUBC-HOTGVXAUSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367422817 957799224 /nfs/dbraw/zinc/79/92/24/957799224.db2.gz AJSWYZJHJVHUBC-HOTGVXAUSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001367486425 957881300 /nfs/dbraw/zinc/88/13/00/957881300.db2.gz NKIFCTYDOOMENM-GOEBONIOSA-N 1 3 321.469 0.992 20 0 DCADHO COC[C@H](C)N(C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367543174 958005865 /nfs/dbraw/zinc/00/58/65/958005865.db2.gz TUKLQEWTOUNFDZ-AWEZNQCLSA-N 1 3 315.458 0.522 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccsc2)CCC1 ZINC001367589633 958130375 /nfs/dbraw/zinc/13/03/75/958130375.db2.gz BBUDLDNTOTXJIV-ZDUSSCGKSA-N 1 3 311.451 0.799 20 0 DCADHO C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)C[C@@H](C)NC(N)=O ZINC001367673580 958330594 /nfs/dbraw/zinc/33/05/94/958330594.db2.gz UFSKHEZLCKTURO-GHMZBOCLSA-N 1 3 310.373 0.867 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367693362 958381628 /nfs/dbraw/zinc/38/16/28/958381628.db2.gz SACALDKGHMCVBM-IUODEOHRSA-N 1 3 309.458 0.909 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001367770288 958537247 /nfs/dbraw/zinc/53/72/47/958537247.db2.gz FRYWIZWMSZHXMH-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001367770288 958537255 /nfs/dbraw/zinc/53/72/55/958537255.db2.gz FRYWIZWMSZHXMH-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO CC[N@H+](C)CCC(=O)NC/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001298312818 958540237 /nfs/dbraw/zinc/54/02/37/958540237.db2.gz RVODFAFUHPWALW-GXMNPTEKSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001298312818 958540250 /nfs/dbraw/zinc/54/02/50/958540250.db2.gz RVODFAFUHPWALW-GXMNPTEKSA-N 1 3 310.442 0.211 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)[NH+]1CCCC1 ZINC001367775612 958552625 /nfs/dbraw/zinc/55/26/25/958552625.db2.gz SAJROFQYLMTHIR-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)CCC[NH+]1CCCC1 ZINC001367775832 958554252 /nfs/dbraw/zinc/55/42/52/958554252.db2.gz HXWATUIDAMJACE-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CC1CCN(CC(=O)NC/C=C\CNC(=O)CC[NH+](C)C)CC1 ZINC001298513274 958634017 /nfs/dbraw/zinc/63/40/17/958634017.db2.gz ROWMTRVFSUWATR-PLNGDYQASA-N 1 3 324.469 0.459 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cnn(C)c2)CCC1 ZINC001376806783 958887030 /nfs/dbraw/zinc/88/70/30/958887030.db2.gz GSVAZYCKJWICQC-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NCC1CCC1 ZINC001491569968 958925487 /nfs/dbraw/zinc/92/54/87/958925487.db2.gz WQSOWXSENOQQCN-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001491636716 958986704 /nfs/dbraw/zinc/98/67/04/958986704.db2.gz LVKQGFOTFPUVDI-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001491636716 958986715 /nfs/dbraw/zinc/98/67/15/958986715.db2.gz LVKQGFOTFPUVDI-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376856006 958992442 /nfs/dbraw/zinc/99/24/42/958992442.db2.gz PDEDXOTYBLBODV-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@H](C)C(N)=O ZINC001492130194 959611153 /nfs/dbraw/zinc/61/11/53/959611153.db2.gz ZVIBFMOATDZRGF-CHWSQXEVSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001492085243 959620433 /nfs/dbraw/zinc/62/04/33/959620433.db2.gz NQTJZCAPOJJDJJ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001362634099 959734202 /nfs/dbraw/zinc/73/42/02/959734202.db2.gz OQUMXOQUCTXXKX-IRXDYDNUSA-N 1 3 322.497 0.813 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C[C@@H]1CCc2ncnn21 ZINC001377258558 959810091 /nfs/dbraw/zinc/81/00/91/959810091.db2.gz JQGHQOIGEARJEF-AWEZNQCLSA-N 1 3 320.441 0.155 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001377280488 959849525 /nfs/dbraw/zinc/84/95/25/959849525.db2.gz HZNNZCRGNPIMEM-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001368447847 959878371 /nfs/dbraw/zinc/87/83/71/959878371.db2.gz JEWUPSYAKBGYCW-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001368450194 959882252 /nfs/dbraw/zinc/88/22/52/959882252.db2.gz KKXHFVNWMSUZLD-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCn1nc(C)cc1C ZINC001377363475 959980203 /nfs/dbraw/zinc/98/02/03/959980203.db2.gz CMYXNXDGFFQTLJ-INIZCTEOSA-N 1 3 321.469 0.890 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCn1nc(C)cc1C ZINC001377363475 959980208 /nfs/dbraw/zinc/98/02/08/959980208.db2.gz CMYXNXDGFFQTLJ-INIZCTEOSA-N 1 3 321.469 0.890 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001377694376 960446769 /nfs/dbraw/zinc/44/67/69/960446769.db2.gz IDKVAPVGBMZXQU-BFHYXJOUSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)C1(N(C)C)CCC1 ZINC001377694376 960446779 /nfs/dbraw/zinc/44/67/79/960446779.db2.gz IDKVAPVGBMZXQU-BFHYXJOUSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC1CCN(C(=O)CC[NH+](C)C)CC1)[C@H]1CCN(C)C1=O ZINC001377796861 960682691 /nfs/dbraw/zinc/68/26/91/960682691.db2.gz VRGGVHJGZKEDKR-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001377877094 960879151 /nfs/dbraw/zinc/87/91/51/960879151.db2.gz FFNDKPVUDKBYAV-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001378506878 960892450 /nfs/dbraw/zinc/89/24/50/960892450.db2.gz XNTBZPXKLGQLFN-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCCC1 ZINC001378713441 961327946 /nfs/dbraw/zinc/32/79/46/961327946.db2.gz FRYFNKRUHMRGRD-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001378721556 961340658 /nfs/dbraw/zinc/34/06/58/961340658.db2.gz YRHDOVXKKTYRSI-UHFFFAOYSA-N 1 3 324.469 0.627 20 0 DCADHO C[C@@H](NCc1cccnc1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001378760904 961425592 /nfs/dbraw/zinc/42/55/92/961425592.db2.gz LXFKXOFOSUSVEI-GDBMZVCRSA-N 1 3 320.437 0.739 20 0 DCADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001378111285 961451463 /nfs/dbraw/zinc/45/14/63/961451463.db2.gz HWQQTVUVRPNPNN-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001378111285 961451475 /nfs/dbraw/zinc/45/14/75/961451475.db2.gz HWQQTVUVRPNPNN-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001378810134 961524007 /nfs/dbraw/zinc/52/40/07/961524007.db2.gz OORHSKYXTOETLT-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001378810134 961524025 /nfs/dbraw/zinc/52/40/25/961524025.db2.gz OORHSKYXTOETLT-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001378932372 961725735 /nfs/dbraw/zinc/72/57/35/961725735.db2.gz NQWUCSBBYDVNMG-AWEZNQCLSA-N 1 3 312.458 0.513 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001378932372 961725741 /nfs/dbraw/zinc/72/57/41/961725741.db2.gz NQWUCSBBYDVNMG-AWEZNQCLSA-N 1 3 312.458 0.513 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H](CNCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001379013684 961882245 /nfs/dbraw/zinc/88/22/45/961882245.db2.gz MUAOREBYQHDJRP-YUELXQCFSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H](CNCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001379013684 961882268 /nfs/dbraw/zinc/88/22/68/961882268.db2.gz MUAOREBYQHDJRP-YUELXQCFSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H](C[N@H+](C)CCc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001379739128 961907165 /nfs/dbraw/zinc/90/71/65/961907165.db2.gz IENNDMDHNMYIEO-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](C[N@@H+](C)CCc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001379739128 961907172 /nfs/dbraw/zinc/90/71/72/961907172.db2.gz IENNDMDHNMYIEO-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001379025959 961911860 /nfs/dbraw/zinc/91/18/60/961911860.db2.gz ALHFLTNISUPXPQ-XJKSGUPXSA-N 1 3 317.449 0.922 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC001363839863 962000237 /nfs/dbraw/zinc/00/02/37/962000237.db2.gz VCYAZIKRUPSDFY-VNQPRFMTSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H](CC[NH+](C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001363889538 962083844 /nfs/dbraw/zinc/08/38/44/962083844.db2.gz UZZCSWMYJMFJDK-CYBMUJFWSA-N 1 3 300.447 0.053 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001379132031 962167994 /nfs/dbraw/zinc/16/79/94/962167994.db2.gz OFWOIDRLDHCJTC-DMDPSCGWSA-N 1 3 308.430 0.390 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001379132031 962168006 /nfs/dbraw/zinc/16/80/06/962168006.db2.gz OFWOIDRLDHCJTC-DMDPSCGWSA-N 1 3 308.430 0.390 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001379940690 962341969 /nfs/dbraw/zinc/34/19/69/962341969.db2.gz SDNPODQCCRYWJA-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001379940690 962341987 /nfs/dbraw/zinc/34/19/87/962341987.db2.gz SDNPODQCCRYWJA-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001379216629 962390602 /nfs/dbraw/zinc/39/06/02/962390602.db2.gz ACTZTKJFPMDPHF-TZMCWYRMSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001379329097 962635293 /nfs/dbraw/zinc/63/52/93/962635293.db2.gz NENXMQRHOHAKSO-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@@H]21 ZINC001364223106 962701235 /nfs/dbraw/zinc/70/12/35/962701235.db2.gz YAPDURGKDRXDDX-KBXIAJHMSA-N 1 3 308.426 0.195 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C[C@@H]21 ZINC001364223106 962701256 /nfs/dbraw/zinc/70/12/56/962701256.db2.gz YAPDURGKDRXDDX-KBXIAJHMSA-N 1 3 308.426 0.195 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001379412077 962869485 /nfs/dbraw/zinc/86/94/85/962869485.db2.gz PVEUHBOWMICGDN-KGLIPLIRSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CN(C)CC(C)(C)C ZINC001379413704 962872085 /nfs/dbraw/zinc/87/20/85/962872085.db2.gz CZJJLXMSVDVWNW-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001380261289 962943117 /nfs/dbraw/zinc/94/31/17/962943117.db2.gz CCWPOWZQTDRANY-CHWSQXEVSA-N 1 3 321.425 0.400 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001379469525 962992929 /nfs/dbraw/zinc/99/29/29/962992929.db2.gz NQCQMGIDQQETOM-QGZVFWFLSA-N 1 3 319.449 0.904 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cncn2C)[C@H]1C ZINC001379564484 963185846 /nfs/dbraw/zinc/18/58/46/963185846.db2.gz DRPDRNSIQWMYKW-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cncn2C)[C@H]1C ZINC001379564484 963185851 /nfs/dbraw/zinc/18/58/51/963185851.db2.gz DRPDRNSIQWMYKW-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001379581172 963214011 /nfs/dbraw/zinc/21/40/11/963214011.db2.gz GABBZAVDPSIIPN-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001379595682 963238066 /nfs/dbraw/zinc/23/80/66/963238066.db2.gz JFRIZERSSUOCKS-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001379598171 963240245 /nfs/dbraw/zinc/24/02/45/963240245.db2.gz JFIYQUKMFFIYOM-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccnn1C ZINC001379598261 963241991 /nfs/dbraw/zinc/24/19/91/963241991.db2.gz KOUOZVGHQVIRMA-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(NCCF)CCOCC2)CC[N@@H+]1C ZINC001380502524 963264572 /nfs/dbraw/zinc/26/45/72/963264572.db2.gz FQNCMEATFGREJN-KBPBESRZSA-N 1 3 315.433 0.941 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(NCCF)CCOCC2)CC[N@H+]1C ZINC001380502524 963264583 /nfs/dbraw/zinc/26/45/83/963264583.db2.gz FQNCMEATFGREJN-KBPBESRZSA-N 1 3 315.433 0.941 20 0 DCADHO CO[C@@H](C)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001380505792 963269920 /nfs/dbraw/zinc/26/99/20/963269920.db2.gz OAYZRJLLCTZUAF-LBPRGKRZSA-N 1 3 324.425 0.551 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001380785841 963580608 /nfs/dbraw/zinc/58/06/08/963580608.db2.gz YHBBBPPMRXYGEO-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)C1 ZINC001380791313 963584720 /nfs/dbraw/zinc/58/47/20/963584720.db2.gz OBKMLNXMABBLLZ-MGPQQGTHSA-N 1 3 310.442 0.078 20 0 DCADHO COC[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001380960030 963721863 /nfs/dbraw/zinc/72/18/63/963721863.db2.gz BYIXCJXHDBNWEX-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001380960030 963721866 /nfs/dbraw/zinc/72/18/66/963721866.db2.gz BYIXCJXHDBNWEX-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001381123693 963829732 /nfs/dbraw/zinc/82/97/32/963829732.db2.gz NZRNAHZSHKRDDU-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001381304890 963960659 /nfs/dbraw/zinc/96/06/59/963960659.db2.gz YTZGVDFJBZKKEF-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001375131992 964027812 /nfs/dbraw/zinc/02/78/12/964027812.db2.gz GJNGJIHZTDBLEQ-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001375131992 964027826 /nfs/dbraw/zinc/02/78/26/964027826.db2.gz GJNGJIHZTDBLEQ-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cnnn1C ZINC001368922997 964133435 /nfs/dbraw/zinc/13/34/35/964133435.db2.gz BLHRJGUQUUDXPJ-UHFFFAOYSA-N 1 3 324.473 0.730 20 0 DCADHO CN1CCC[C@@H](NC2(CNC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001375468945 964438716 /nfs/dbraw/zinc/43/87/16/964438716.db2.gz FJGSUEOLVLKCKT-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](NCCF)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001369157175 964468358 /nfs/dbraw/zinc/46/83/58/964468358.db2.gz SVTJMXXGXQGHLR-GXTWGEPZSA-N 1 3 301.406 0.503 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001369171357 964484149 /nfs/dbraw/zinc/48/41/49/964484149.db2.gz ZLXRHDQUANYOBX-JOCQHMNTSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001369181271 964496508 /nfs/dbraw/zinc/49/65/08/964496508.db2.gz NLKQYUNNMYXRJA-XNRPHZJLSA-N 1 3 324.469 0.336 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369281240 964644682 /nfs/dbraw/zinc/64/46/82/964644682.db2.gz BTRQZOPGQJQNBT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369281240 964644688 /nfs/dbraw/zinc/64/46/88/964644688.db2.gz BTRQZOPGQJQNBT-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001375769845 964822187 /nfs/dbraw/zinc/82/21/87/964822187.db2.gz ZSBZQZKWLFCXIA-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001369393773 964887920 /nfs/dbraw/zinc/88/79/20/964887920.db2.gz AZBFEHNSXADJKU-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375875819 964953310 /nfs/dbraw/zinc/95/33/10/964953310.db2.gz VKORFCAPNNRING-MRXNPFEDSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001375895893 964963662 /nfs/dbraw/zinc/96/36/62/964963662.db2.gz KDUILAQELCNGHA-WMLDXEAASA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncsc1CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001369480795 965051891 /nfs/dbraw/zinc/05/18/91/965051891.db2.gz FPRNGFUADPNAIO-LBPRGKRZSA-N 1 3 314.455 0.312 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001374172159 965090025 /nfs/dbraw/zinc/09/00/25/965090025.db2.gz MDTNILIKYMSPFX-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001374214034 965142770 /nfs/dbraw/zinc/14/27/70/965142770.db2.gz ADMWPZUGZXNDBZ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001374214034 965142776 /nfs/dbraw/zinc/14/27/76/965142776.db2.gz ADMWPZUGZXNDBZ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)cn1 ZINC001369562698 965176699 /nfs/dbraw/zinc/17/66/99/965176699.db2.gz KLBYCQLWZZWICK-CQSZACIVSA-N 1 3 309.458 0.992 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001369573330 965183394 /nfs/dbraw/zinc/18/33/94/965183394.db2.gz BEAPQDZHSXRFHE-ZBCRRDGASA-N 1 3 324.469 0.430 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374310292 965262544 /nfs/dbraw/zinc/26/25/44/965262544.db2.gz DIUFXEXBPUPUJJ-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374310292 965262558 /nfs/dbraw/zinc/26/25/58/965262558.db2.gz DIUFXEXBPUPUJJ-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C(C)C ZINC001374365081 965314516 /nfs/dbraw/zinc/31/45/16/965314516.db2.gz FXXFCAJMMOUZRC-KGLIPLIRSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](O)CCCN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001369850175 965487170 /nfs/dbraw/zinc/48/71/70/965487170.db2.gz YNPCJQFOGPLOPM-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001374535546 965496997 /nfs/dbraw/zinc/49/69/97/965496997.db2.gz GCECQIGOUXPMJA-XJKSGUPXSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001374535546 965497005 /nfs/dbraw/zinc/49/70/05/965497005.db2.gz GCECQIGOUXPMJA-XJKSGUPXSA-N 1 3 317.449 0.970 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001430552692 1013579177 /nfs/dbraw/zinc/57/91/77/1013579177.db2.gz PJMKJZXDNISRCZ-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001430552692 1013579185 /nfs/dbraw/zinc/57/91/85/1013579185.db2.gz PJMKJZXDNISRCZ-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001376397968 965611128 /nfs/dbraw/zinc/61/11/28/965611128.db2.gz GRECXLXBVFOSTB-UMVBOHGHSA-N 1 3 307.442 0.743 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001376410484 965627303 /nfs/dbraw/zinc/62/73/03/965627303.db2.gz SKRGNNBZCQDDGE-IHRRRGAJSA-N 1 3 310.442 0.232 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001374639249 965684624 /nfs/dbraw/zinc/68/46/24/965684624.db2.gz SYAJCMZQRQKDOX-AWEZNQCLSA-N 1 3 320.437 0.299 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001376482113 965717964 /nfs/dbraw/zinc/71/79/64/965717964.db2.gz ZWSJZCIHZDJWBP-ZQDZILKHSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)NC1CC1)C(=O)C1(N(C)C)CCC1 ZINC001374711581 965798628 /nfs/dbraw/zinc/79/86/28/965798628.db2.gz GUMWYTTXJNFOGU-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001376583272 965855777 /nfs/dbraw/zinc/85/57/77/965855777.db2.gz YFWSYLQQRKTCOT-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001376607441 965884362 /nfs/dbraw/zinc/88/43/62/965884362.db2.gz VTFLCXXUEBPIPT-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1)N(C)C ZINC001374772584 965898531 /nfs/dbraw/zinc/89/85/31/965898531.db2.gz NXCFERJVMWZJGE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21)N(C)C ZINC001376643001 965930805 /nfs/dbraw/zinc/93/08/05/965930805.db2.gz CAZJCGUSGXXMLT-LJIZCISZSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21)N(C)C ZINC001376643001 965930811 /nfs/dbraw/zinc/93/08/11/965930811.db2.gz CAZJCGUSGXXMLT-LJIZCISZSA-N 1 3 309.454 0.800 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001374811396 965964755 /nfs/dbraw/zinc/96/47/55/965964755.db2.gz PAWHLNBSBNBBNM-GFCCVEGCSA-N 1 3 322.457 0.543 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376675853 965967051 /nfs/dbraw/zinc/96/70/51/965967051.db2.gz LOSOWLDDDCURRH-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376675853 965967057 /nfs/dbraw/zinc/96/70/57/965967057.db2.gz LOSOWLDDDCURRH-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H](NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001370387668 966072755 /nfs/dbraw/zinc/07/27/55/966072755.db2.gz AOBDEURKPIUHGW-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001370395332 966077012 /nfs/dbraw/zinc/07/70/12/966077012.db2.gz QVPRGXWINNUHHI-VHDGCEQUSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001370402789 966084979 /nfs/dbraw/zinc/08/49/79/966084979.db2.gz FOSSPDOKIHYJDF-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001370402789 966084991 /nfs/dbraw/zinc/08/49/91/966084991.db2.gz FOSSPDOKIHYJDF-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001376757209 966126724 /nfs/dbraw/zinc/12/67/24/966126724.db2.gz QJEHEQFDJYWPFI-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001376757209 966126728 /nfs/dbraw/zinc/12/67/28/966126728.db2.gz QJEHEQFDJYWPFI-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001374978102 966191005 /nfs/dbraw/zinc/19/10/05/966191005.db2.gz GNLFASZMEDWPGZ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001370636124 966309798 /nfs/dbraw/zinc/30/97/98/966309798.db2.gz KGLUAWSQYOXPPA-XGUBFFRZSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001381390458 966371346 /nfs/dbraw/zinc/37/13/46/966371346.db2.gz MHNFBGKYZWSHBA-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](NCC(=O)NC(C)(C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381413357 966394967 /nfs/dbraw/zinc/39/49/67/966394967.db2.gz CBNUIQRHEBDUCC-NEPJUHHUSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1CCCN(CCF)C1 ZINC001370791544 966482833 /nfs/dbraw/zinc/48/28/33/966482833.db2.gz ORLQUIOTILWRMA-GJZGRUSLSA-N 1 3 315.433 0.752 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](CCF)C1 ZINC001370791544 966482837 /nfs/dbraw/zinc/48/28/37/966482837.db2.gz ORLQUIOTILWRMA-GJZGRUSLSA-N 1 3 315.433 0.752 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](CCF)C1 ZINC001370791544 966482842 /nfs/dbraw/zinc/48/28/42/966482842.db2.gz ORLQUIOTILWRMA-GJZGRUSLSA-N 1 3 315.433 0.752 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001370871593 966556700 /nfs/dbraw/zinc/55/67/00/966556700.db2.gz FTSXBGPXWNHPTB-GXTWGEPZSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001370871593 966556706 /nfs/dbraw/zinc/55/67/06/966556706.db2.gz FTSXBGPXWNHPTB-GXTWGEPZSA-N 1 3 321.425 0.400 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001371183252 966791090 /nfs/dbraw/zinc/79/10/90/966791090.db2.gz YCTWQSHYKRENAG-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001371183252 966791096 /nfs/dbraw/zinc/79/10/96/966791096.db2.gz YCTWQSHYKRENAG-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001381963643 966820459 /nfs/dbraw/zinc/82/04/59/966820459.db2.gz SXVQWZIFNGVCSA-JOCQHMNTSA-N 1 3 320.441 0.284 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382021669 966871183 /nfs/dbraw/zinc/87/11/83/966871183.db2.gz VNDMGOJMJQRGEX-JSGCOSHPSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001382029983 966877436 /nfs/dbraw/zinc/87/74/36/966877436.db2.gz IGGMIDWZPGZTHI-GJZGRUSLSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001382029983 966877441 /nfs/dbraw/zinc/87/74/41/966877441.db2.gz IGGMIDWZPGZTHI-GJZGRUSLSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001447994161 1013692997 /nfs/dbraw/zinc/69/29/97/1013692997.db2.gz VQBABZRPCKOIHI-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001447994161 1013692999 /nfs/dbraw/zinc/69/29/99/1013692999.db2.gz VQBABZRPCKOIHI-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001371473669 967024080 /nfs/dbraw/zinc/02/40/80/967024080.db2.gz KQCXWEXVSXBBRJ-OLZOCXBDSA-N 1 3 308.430 0.200 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC(C)CC1 ZINC001371475417 967025295 /nfs/dbraw/zinc/02/52/95/967025295.db2.gz SGTFDCLKVLDPFN-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC(C)CC1 ZINC001371475417 967025301 /nfs/dbraw/zinc/02/53/01/967025301.db2.gz SGTFDCLKVLDPFN-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001371495928 967040895 /nfs/dbraw/zinc/04/08/95/967040895.db2.gz KWDJOKVHVBMILV-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001371495928 967040902 /nfs/dbraw/zinc/04/09/02/967040902.db2.gz KWDJOKVHVBMILV-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001371510803 967060483 /nfs/dbraw/zinc/06/04/83/967060483.db2.gz TUUGUAGURVTMQE-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+]1CCC(CC(=O)NC[C@@H](CO)NCc2ccccc2)CC1 ZINC001382250585 967121438 /nfs/dbraw/zinc/12/14/38/967121438.db2.gz UCLUNCFSABVCCK-KRWDZBQOSA-N 1 3 319.449 0.985 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001371613955 967172219 /nfs/dbraw/zinc/17/22/19/967172219.db2.gz IGIGXRHTYAWMKD-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001371625570 967180886 /nfs/dbraw/zinc/18/08/86/967180886.db2.gz BPPVIKJEHBLRPP-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001371624711 967181042 /nfs/dbraw/zinc/18/10/42/967181042.db2.gz FQAFRASTRNPZNS-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001382300280 967182515 /nfs/dbraw/zinc/18/25/15/967182515.db2.gz CJZFOXQUBGNPGM-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001382505689 967452027 /nfs/dbraw/zinc/45/20/27/967452027.db2.gz PNTLIMQTDAPOAX-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001382505689 967452030 /nfs/dbraw/zinc/45/20/30/967452030.db2.gz PNTLIMQTDAPOAX-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001430863061 1013769524 /nfs/dbraw/zinc/76/95/24/1013769524.db2.gz RKQNBJXPRUWNPG-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430863061 1013769526 /nfs/dbraw/zinc/76/95/26/1013769526.db2.gz RKQNBJXPRUWNPG-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001372523295 968080574 /nfs/dbraw/zinc/08/05/74/968080574.db2.gz BLAIMGCHYATAKW-LBPRGKRZSA-N 1 3 307.398 0.011 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372672407 968236240 /nfs/dbraw/zinc/23/62/40/968236240.db2.gz SSFGYYISQINGKJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001372988944 968600135 /nfs/dbraw/zinc/60/01/35/968600135.db2.gz VDYIYRUIOBNCDG-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001372992992 968605290 /nfs/dbraw/zinc/60/52/90/968605290.db2.gz PQMUYLXBXCTLEY-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001372995963 968608532 /nfs/dbraw/zinc/60/85/32/968608532.db2.gz XDXXHQYNUZRNCT-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001372995963 968608544 /nfs/dbraw/zinc/60/85/44/968608544.db2.gz XDXXHQYNUZRNCT-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001373089376 968702982 /nfs/dbraw/zinc/70/29/82/968702982.db2.gz QAQSQGIBAVMFCE-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001373089376 968702988 /nfs/dbraw/zinc/70/29/88/968702988.db2.gz QAQSQGIBAVMFCE-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373161857 968773134 /nfs/dbraw/zinc/77/31/34/968773134.db2.gz UDOXJCFGMBUVKM-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373161857 968773145 /nfs/dbraw/zinc/77/31/45/968773145.db2.gz UDOXJCFGMBUVKM-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001373286996 968901866 /nfs/dbraw/zinc/90/18/66/968901866.db2.gz HFBBYRSDBWGKEA-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001373286996 968901871 /nfs/dbraw/zinc/90/18/71/968901871.db2.gz HFBBYRSDBWGKEA-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NCc1ccnn1C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001448471511 1013923270 /nfs/dbraw/zinc/92/32/70/1013923270.db2.gz UAFGAPSXIJKDFN-DZGCQCFKSA-N 1 3 323.441 0.077 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549121990 1014139155 /nfs/dbraw/zinc/13/91/55/1014139155.db2.gz AWEHRMQOFPHTOY-BLLLJJGKSA-N 1 3 303.362 0.343 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(C)C)C[C@@H]1C ZINC001449022644 1014139683 /nfs/dbraw/zinc/13/96/83/1014139683.db2.gz VZKXYAVNMHZDFJ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(C)C)C[C@@H]1C ZINC001449022644 1014139689 /nfs/dbraw/zinc/13/96/89/1014139689.db2.gz VZKXYAVNMHZDFJ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001449027338 1014143906 /nfs/dbraw/zinc/14/39/06/1014143906.db2.gz ZCXOJYWNPHVCHX-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549169713 1014159810 /nfs/dbraw/zinc/15/98/10/1014159810.db2.gz CXWDFVGNEVEFBI-TZMCWYRMSA-N 1 3 306.414 0.290 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+](CC)CC ZINC001449074598 1014168775 /nfs/dbraw/zinc/16/87/75/1014168775.db2.gz CINPHYDRWCCCSE-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449076111 1014170220 /nfs/dbraw/zinc/17/02/20/1014170220.db2.gz JMFAQGCXGBCFNQ-CYBMUJFWSA-N 1 3 321.425 0.177 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449076111 1014170225 /nfs/dbraw/zinc/17/02/25/1014170225.db2.gz JMFAQGCXGBCFNQ-CYBMUJFWSA-N 1 3 321.425 0.177 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549215747 1014174946 /nfs/dbraw/zinc/17/49/46/1014174946.db2.gz SSRVFKYSPHRPMJ-JYJNAYRXSA-N 1 3 318.421 0.420 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3CC[NH2+]C[C@@H]3F)C2)nn1 ZINC001549292420 1014198908 /nfs/dbraw/zinc/19/89/08/1014198908.db2.gz CCOOHENHGJHWAA-BNOWGMLFSA-N 1 3 324.404 0.238 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549298431 1014206394 /nfs/dbraw/zinc/20/63/94/1014206394.db2.gz DHQJQJJVELPTGR-PMPSAXMXSA-N 1 3 303.406 0.627 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC[C@@H](C)C1 ZINC001522694369 1014306105 /nfs/dbraw/zinc/30/61/05/1014306105.db2.gz ZMQYYHDJACGHOO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC[C@@H](C)C1 ZINC001522694369 1014306117 /nfs/dbraw/zinc/30/61/17/1014306117.db2.gz ZMQYYHDJACGHOO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)N(C)C1 ZINC001549615369 1014350457 /nfs/dbraw/zinc/35/04/57/1014350457.db2.gz AKTAGOUTCNVGSF-BFHYXJOUSA-N 1 3 310.442 0.632 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001522969085 1014495536 /nfs/dbraw/zinc/49/55/36/1014495536.db2.gz YJSFBPUZBKKTEB-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001523030267 1014524996 /nfs/dbraw/zinc/52/49/96/1014524996.db2.gz ZTOVIYQBSVQYOV-RRFJBIMHSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001523030267 1014525003 /nfs/dbraw/zinc/52/50/03/1014525003.db2.gz ZTOVIYQBSVQYOV-RRFJBIMHSA-N 1 3 324.469 0.241 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2OCC[C@H]2[NH3+])CC1 ZINC001550085504 1014557065 /nfs/dbraw/zinc/55/70/65/1014557065.db2.gz QETFXOIXFVKZRC-KGLIPLIRSA-N 1 3 311.426 0.206 20 0 DCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc2c1CNC2 ZINC001550088883 1014560158 /nfs/dbraw/zinc/56/01/58/1014560158.db2.gz ZFIXHOMCCMJFKB-CYBMUJFWSA-N 1 3 312.377 0.346 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001550114419 1014580678 /nfs/dbraw/zinc/58/06/78/1014580678.db2.gz RZQRSRPUBZBXNO-YQQAZPJKSA-N 1 3 301.390 0.053 20 0 DCADHO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202426 1014625265 /nfs/dbraw/zinc/62/52/65/1014625265.db2.gz MGHMPPVJBDLBSI-KBPBESRZSA-N 1 3 322.453 0.174 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202499 1014625352 /nfs/dbraw/zinc/62/53/52/1014625352.db2.gz OHCXVNLRHNPRBZ-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC[NH2+]1 ZINC001550204918 1014627828 /nfs/dbraw/zinc/62/78/28/1014627828.db2.gz UTTZOQFESAYMAX-MRXNPFEDSA-N 1 3 322.453 0.461 20 0 DCADHO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204936 1014628880 /nfs/dbraw/zinc/62/88/80/1014628880.db2.gz UXVIBYUFLQOYBW-CYBMUJFWSA-N 1 3 322.453 0.459 20 0 DCADHO N[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[C@H]1F ZINC001550270081 1014643750 /nfs/dbraw/zinc/64/37/50/1014643750.db2.gz BOJFRUIJKCNNMT-CABCVRRESA-N 1 3 306.385 0.913 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449924162 1014788595 /nfs/dbraw/zinc/78/85/95/1014788595.db2.gz MWAICANWPLFTTK-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449924162 1014788606 /nfs/dbraw/zinc/78/86/06/1014788606.db2.gz MWAICANWPLFTTK-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550725052 1014816720 /nfs/dbraw/zinc/81/67/20/1014816720.db2.gz YSYXUGMCARXMOO-KCQAQPDRSA-N 1 3 303.362 0.627 20 0 DCADHO [NH3+]C1(CNC(=O)N2CCNC[C@H](O)C2)C2CC3CC(C2)CC1C3 ZINC001550735214 1014824711 /nfs/dbraw/zinc/82/47/11/1014824711.db2.gz LNHUACXMZLQPRZ-RWUOKQAASA-N 1 3 322.453 0.116 20 0 DCADHO [NH3+][C@@H]1CCOC[C@@H]1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC001550733461 1014825071 /nfs/dbraw/zinc/82/50/71/1014825071.db2.gz HFJCAEDXNJWEGU-KFWWJZLASA-N 1 3 304.394 0.289 20 0 DCADHO [NH3+][C@H]1CC12CC(NC(=O)NC[C@H]1Cc3ccccc3CN1)C2 ZINC001550754317 1014839012 /nfs/dbraw/zinc/83/90/12/1014839012.db2.gz HMSJUACRCZZYFZ-GJEMEMOUSA-N 1 3 300.406 0.880 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[C@@H](C)CN1 ZINC001550756118 1014843036 /nfs/dbraw/zinc/84/30/36/1014843036.db2.gz ODCGGVOJGASLIJ-HZSPNIEDSA-N 1 3 310.442 0.537 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001550758956 1014850836 /nfs/dbraw/zinc/85/08/36/1014850836.db2.gz XFJFMCKFUIRYSA-HRCADAONSA-N 1 3 318.421 0.459 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001524170281 1014884216 /nfs/dbraw/zinc/88/42/16/1014884216.db2.gz DLWQKWDFHSHXLE-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[NH+](C)C1CC(CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC001550980202 1014927434 /nfs/dbraw/zinc/92/74/34/1014927434.db2.gz JZUVRRKZDUVQSQ-OGVSOVDVSA-N 1 3 324.469 0.879 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C(=O)CC[NH+](C)C ZINC001450133979 1014935192 /nfs/dbraw/zinc/93/51/92/1014935192.db2.gz VUAQKOOJQOWNPS-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001525155532 1015104060 /nfs/dbraw/zinc/10/40/60/1015104060.db2.gz KIQDXGXCWZXHJL-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC001551495192 1015117209 /nfs/dbraw/zinc/11/72/09/1015117209.db2.gz BHMNYGITYJSZJG-HLIUYOAVSA-N 1 3 310.442 0.763 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001384476938 985609940 /nfs/dbraw/zinc/60/99/40/985609940.db2.gz FJQVZNHUJBJTTR-BYNSBNAKSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001384476938 985609942 /nfs/dbraw/zinc/60/99/42/985609942.db2.gz FJQVZNHUJBJTTR-BYNSBNAKSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2)N(C)C ZINC001385012010 986021200 /nfs/dbraw/zinc/02/12/00/986021200.db2.gz RGXVZXJBEKMIPZ-TUVASFSCSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001385706671 986536388 /nfs/dbraw/zinc/53/63/88/986536388.db2.gz VXKLPGKOQBPYFL-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001385741299 986563090 /nfs/dbraw/zinc/56/30/90/986563090.db2.gz PORHRNHMNOUWIS-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001386116159 986845405 /nfs/dbraw/zinc/84/54/05/986845405.db2.gz YTUBCJXKQHGDKG-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001386116159 986845418 /nfs/dbraw/zinc/84/54/18/986845418.db2.gz YTUBCJXKQHGDKG-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001450635451 1015264775 /nfs/dbraw/zinc/26/47/75/1015264775.db2.gz ROYPIQRNBATVQQ-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001450635451 1015264787 /nfs/dbraw/zinc/26/47/87/1015264787.db2.gz ROYPIQRNBATVQQ-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001552188170 1015311796 /nfs/dbraw/zinc/31/17/96/1015311796.db2.gz UGMFHFZODXOFIW-BFYDXBDKSA-N 1 3 324.469 0.868 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001387111534 987641138 /nfs/dbraw/zinc/64/11/38/987641138.db2.gz PVYOFAQWPKGWKE-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001387111534 987641142 /nfs/dbraw/zinc/64/11/42/987641142.db2.gz PVYOFAQWPKGWKE-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001387146168 987660262 /nfs/dbraw/zinc/66/02/62/987660262.db2.gz QRDULRMMRBKJCH-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CCC[C@H]1C ZINC001526727545 1015328693 /nfs/dbraw/zinc/32/86/93/1015328693.db2.gz CEKRXSJYNHVUJQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001387728786 988094551 /nfs/dbraw/zinc/09/45/51/988094551.db2.gz SEJFTIFETSDKPK-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CN(C)C1CCC1 ZINC001387861456 988228870 /nfs/dbraw/zinc/22/88/70/988228870.db2.gz GYTOHNQQXJWWEO-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](O)CCCN1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001388648844 988473191 /nfs/dbraw/zinc/47/31/91/988473191.db2.gz ANLSCVNBNINTSB-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001388737562 988548567 /nfs/dbraw/zinc/54/85/67/988548567.db2.gz VBXDTOCLGQFWCE-OBJOEFQTSA-N 1 3 308.430 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001389348867 989144804 /nfs/dbraw/zinc/14/48/04/989144804.db2.gz VPRXLJZINBYSBI-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)CCC[NH+](C)C ZINC001389659236 989469932 /nfs/dbraw/zinc/46/99/32/989469932.db2.gz GROXJYVBZOHJKA-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCN2C(=O)CCC[NH+](C)C)C1 ZINC001389775628 989562350 /nfs/dbraw/zinc/56/23/50/989562350.db2.gz WYPOYRWQILCBKR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001389826545 989616570 /nfs/dbraw/zinc/61/65/70/989616570.db2.gz WDUAUAVATHRACC-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001389984410 989729083 /nfs/dbraw/zinc/72/90/83/989729083.db2.gz XLUZELVKIYHIEK-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001390003058 989740966 /nfs/dbraw/zinc/74/09/66/989740966.db2.gz WPJWMYZRTFUQRS-FQUUOJAGSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001390151519 989870982 /nfs/dbraw/zinc/87/09/82/989870982.db2.gz OMZNBJVNPLHFJL-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001390155925 989873997 /nfs/dbraw/zinc/87/39/97/989873997.db2.gz KRGMCJZMJJSRLT-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)N1CCCCC1 ZINC001390475502 990133044 /nfs/dbraw/zinc/13/30/44/990133044.db2.gz UYFZPGRAQCWDBK-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NC/C=C/Cl ZINC001390497960 990151200 /nfs/dbraw/zinc/15/12/00/990151200.db2.gz UWOJNGPECYFPQC-ZYOFXKKJSA-N 1 3 313.833 0.905 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C(C)C)[NH+](C)C ZINC001390504672 990157345 /nfs/dbraw/zinc/15/73/45/990157345.db2.gz FKCMEAMPBFXFCI-HIFRSBDPSA-N 1 3 314.474 0.534 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](CNCc2cc3n(n2)CCC3)C1 ZINC001390597752 990233754 /nfs/dbraw/zinc/23/37/54/990233754.db2.gz UVDCETFHPYLIDQ-CQSZACIVSA-N 1 3 319.453 0.719 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001390601925 990235246 /nfs/dbraw/zinc/23/52/46/990235246.db2.gz ZYMRPTVXOINDJT-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001390843707 990431449 /nfs/dbraw/zinc/43/14/49/990431449.db2.gz HTSNEDABDFJCDD-AWEZNQCLSA-N 1 3 320.437 0.275 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001390843707 990431453 /nfs/dbraw/zinc/43/14/53/990431453.db2.gz HTSNEDABDFJCDD-AWEZNQCLSA-N 1 3 320.437 0.275 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN(Cc2cnn(C)c2)C1)[NH+](C)C ZINC001391107867 990592666 /nfs/dbraw/zinc/59/26/66/990592666.db2.gz CARDOHIEQXIVIX-GOEBONIOSA-N 1 3 321.469 0.944 20 0 DCADHO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCN1C1CCCC1 ZINC001552967000 1015578403 /nfs/dbraw/zinc/57/84/03/1015578403.db2.gz CSUQXDNCWUKVQJ-VNQPRFMTSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCN1C1CCCC1 ZINC001552967000 1015578413 /nfs/dbraw/zinc/57/84/13/1015578413.db2.gz CSUQXDNCWUKVQJ-VNQPRFMTSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001391850447 991219844 /nfs/dbraw/zinc/21/98/44/991219844.db2.gz XEZMOHYHOMLRFG-CYBMUJFWSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001392076365 991468467 /nfs/dbraw/zinc/46/84/67/991468467.db2.gz OWBMQAOFFKOHBD-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001392179021 991581964 /nfs/dbraw/zinc/58/19/64/991581964.db2.gz KLXHRMBEZCWQSE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CCN[C@H](C)C(N)=O)C1 ZINC001392452379 991946915 /nfs/dbraw/zinc/94/69/15/991946915.db2.gz DOJBEABZWOGUKB-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)CCN[C@H](C)C(N)=O)C1 ZINC001392452379 991946922 /nfs/dbraw/zinc/94/69/22/991946922.db2.gz DOJBEABZWOGUKB-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001392775122 992380823 /nfs/dbraw/zinc/38/08/23/992380823.db2.gz RSVRQEFDUVFEOB-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001392883260 992493400 /nfs/dbraw/zinc/49/34/00/992493400.db2.gz KFFIPYFREIWZFJ-MJBXVCDLSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001392883260 992493403 /nfs/dbraw/zinc/49/34/03/992493403.db2.gz KFFIPYFREIWZFJ-MJBXVCDLSA-N 1 3 312.458 0.145 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1CNCC(=O)NC)[NH+](CC)CC ZINC001393059392 992657278 /nfs/dbraw/zinc/65/72/78/992657278.db2.gz WOGNXQWYQFHETM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001393588525 993108218 /nfs/dbraw/zinc/10/82/18/993108218.db2.gz NDSMDIRUXIRRLS-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H](C)COC)CCOCC1)N(C)C ZINC001393715432 993197879 /nfs/dbraw/zinc/19/78/79/993197879.db2.gz GYXRYVOHBPNQFG-KGLIPLIRSA-N 1 3 315.458 0.617 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001393751432 993225442 /nfs/dbraw/zinc/22/54/42/993225442.db2.gz YRENMZHJEIARNA-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC1CC(CN2CC(N3CCN(C(=O)CC[NH+](C)C)CC3)C2)C1 ZINC001393768512 993238582 /nfs/dbraw/zinc/23/85/82/993238582.db2.gz NOYMIHNQFMMPPL-UHFFFAOYSA-N 1 3 322.497 0.813 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)NC ZINC001393861232 993302894 /nfs/dbraw/zinc/30/28/94/993302894.db2.gz PADZGONXYLOFQZ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)NC ZINC001393861232 993302899 /nfs/dbraw/zinc/30/28/99/993302899.db2.gz PADZGONXYLOFQZ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393996593 993400034 /nfs/dbraw/zinc/40/00/34/993400034.db2.gz MOMWHDQTUDMRSW-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO COCCN(C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001394118954 993490825 /nfs/dbraw/zinc/49/08/25/993490825.db2.gz BVLJKYMMVHOMOY-CYBMUJFWSA-N 1 3 301.431 0.180 20 0 DCADHO CCCC[C@H](CN[C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001394205906 993539943 /nfs/dbraw/zinc/53/99/43/993539943.db2.gz PPGFKWDXNQARAA-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001394442198 993710263 /nfs/dbraw/zinc/71/02/63/993710263.db2.gz XQJOTWAGOGAGOT-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)NC1CC1 ZINC001394487980 993762737 /nfs/dbraw/zinc/76/27/37/993762737.db2.gz CSYUHQOOPZSLFV-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)NC1CC1 ZINC001394487980 993762747 /nfs/dbraw/zinc/76/27/47/993762747.db2.gz CSYUHQOOPZSLFV-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC(N)=O)CC1)N(C)C ZINC001400083712 994142874 /nfs/dbraw/zinc/14/28/74/994142874.db2.gz FOWSTNOWYAGHOP-WFASDCNBSA-N 1 3 312.458 0.275 20 0 DCADHO CCN(C)C(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001400187398 994255925 /nfs/dbraw/zinc/25/59/25/994255925.db2.gz RXOJXAXXLKLGKU-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(C)C(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400187398 994255937 /nfs/dbraw/zinc/25/59/37/994255937.db2.gz RXOJXAXXLKLGKU-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001400445838 994524069 /nfs/dbraw/zinc/52/40/69/994524069.db2.gz OTTHKWAXFRNRFT-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)CCC[NH+](C)C)CCC1 ZINC001400487342 994576116 /nfs/dbraw/zinc/57/61/16/994576116.db2.gz URMYZLIRAFZNEP-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001395313282 994585372 /nfs/dbraw/zinc/58/53/72/994585372.db2.gz UPPGWOISDLJMJS-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001400850913 995007933 /nfs/dbraw/zinc/00/79/33/995007933.db2.gz KXNNFVANRAZAPG-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)N(C)C ZINC001400900705 995049683 /nfs/dbraw/zinc/04/96/83/995049683.db2.gz HVEXKJHUYNSKIO-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001401048263 995134185 /nfs/dbraw/zinc/13/41/85/995134185.db2.gz OTPMMUUZDBVNOO-YDHLFZDLSA-N 1 3 324.469 0.752 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001401092074 995168362 /nfs/dbraw/zinc/16/83/62/995168362.db2.gz VUHHZSRBJYSVDO-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001401092074 995168366 /nfs/dbraw/zinc/16/83/66/995168366.db2.gz VUHHZSRBJYSVDO-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001396762754 995595763 /nfs/dbraw/zinc/59/57/63/995595763.db2.gz DMEYXGNPSWWGNO-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001502573380 1015978588 /nfs/dbraw/zinc/97/85/88/1015978588.db2.gz NXHGPKRPOZHICP-GOEBONIOSA-N 1 3 315.458 0.162 20 0 DCADHO COCCN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001397253098 995887654 /nfs/dbraw/zinc/88/76/54/995887654.db2.gz GPJPHQQHPPMYQW-HIFRSBDPSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001507129374 1016007583 /nfs/dbraw/zinc/00/75/83/1016007583.db2.gz XJVVMMOUTSEAQD-OLZOCXBDSA-N 1 3 314.474 0.665 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001397982560 996292685 /nfs/dbraw/zinc/29/26/85/996292685.db2.gz ARIAHVIERKIEHL-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+]([C@H](CC)C(N)=O)CC2 ZINC001398368262 996489152 /nfs/dbraw/zinc/48/91/52/996489152.db2.gz WHXWZHUGNVOSBV-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CCCNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001398408234 996504288 /nfs/dbraw/zinc/50/42/88/996504288.db2.gz LTZIQRWYIARJOD-BPLDGKMQSA-N 1 3 324.469 0.337 20 0 DCADHO CCCNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001398408234 996504292 /nfs/dbraw/zinc/50/42/92/996504292.db2.gz LTZIQRWYIARJOD-BPLDGKMQSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC(=O)N(C)C ZINC001502723796 1016039880 /nfs/dbraw/zinc/03/98/80/1016039880.db2.gz BLJCJDJZDIFOPL-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001398473348 996534402 /nfs/dbraw/zinc/53/44/02/996534402.db2.gz YLRGQEDSJBRIKR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001398473348 996534407 /nfs/dbraw/zinc/53/44/07/996534407.db2.gz YLRGQEDSJBRIKR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)CC[NH+](C)C ZINC001398503245 996544009 /nfs/dbraw/zinc/54/40/09/996544009.db2.gz VUAQKOOJQOWNPS-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001398523047 996552003 /nfs/dbraw/zinc/55/20/03/996552003.db2.gz FESLYEKYMQOODB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001398523047 996552009 /nfs/dbraw/zinc/55/20/09/996552009.db2.gz FESLYEKYMQOODB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC001398562109 996574343 /nfs/dbraw/zinc/57/43/43/996574343.db2.gz MRPJCIGUGRTTOJ-JOCQHMNTSA-N 1 3 308.430 0.377 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001398961144 996776378 /nfs/dbraw/zinc/77/63/78/996776378.db2.gz XSYRJIOBDKEBIC-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](N[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001398969856 996783212 /nfs/dbraw/zinc/78/32/12/996783212.db2.gz GZZUCPCLMDRCCS-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001399040313 996877299 /nfs/dbraw/zinc/87/72/99/996877299.db2.gz WEQKFIUWKLYTGV-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001399040313 996877307 /nfs/dbraw/zinc/87/73/07/996877307.db2.gz WEQKFIUWKLYTGV-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001404312295 996959135 /nfs/dbraw/zinc/95/91/35/996959135.db2.gz FXCXOCHYQKEDBD-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001404344950 997013947 /nfs/dbraw/zinc/01/39/47/997013947.db2.gz OPNCPLIHHZMSEQ-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399187743 997071586 /nfs/dbraw/zinc/07/15/86/997071586.db2.gz LZEDPYCJOJLSJR-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001404528305 997207953 /nfs/dbraw/zinc/20/79/53/997207953.db2.gz ZMWABTLJYGZKHX-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001404528305 997207966 /nfs/dbraw/zinc/20/79/66/997207966.db2.gz ZMWABTLJYGZKHX-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCC1 ZINC001405287818 998063908 /nfs/dbraw/zinc/06/39/08/998063908.db2.gz JUGDQRNQTMPVHP-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001507252344 1016184610 /nfs/dbraw/zinc/18/46/10/1016184610.db2.gz JFGUSVPACJVCMF-DLBZAZTESA-N 1 3 319.449 0.904 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001507252344 1016184615 /nfs/dbraw/zinc/18/46/15/1016184615.db2.gz JFGUSVPACJVCMF-DLBZAZTESA-N 1 3 319.449 0.904 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001405383883 998176390 /nfs/dbraw/zinc/17/63/90/998176390.db2.gz GKVPOCSARBSOTE-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001405383883 998176394 /nfs/dbraw/zinc/17/63/94/998176394.db2.gz GKVPOCSARBSOTE-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001405383895 998177408 /nfs/dbraw/zinc/17/74/08/998177408.db2.gz GKVPOCSARBSOTE-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001405383895 998177410 /nfs/dbraw/zinc/17/74/10/998177410.db2.gz GKVPOCSARBSOTE-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)CNCc1cnns1)[NH+](C)C ZINC001405703343 998486777 /nfs/dbraw/zinc/48/67/77/998486777.db2.gz WDCCFFKVQSHDHH-WCQYABFASA-N 1 3 313.471 0.966 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001507331021 1016257690 /nfs/dbraw/zinc/25/76/90/1016257690.db2.gz ISHQZMNWYCPVPP-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001507435047 1016327845 /nfs/dbraw/zinc/32/78/45/1016327845.db2.gz JGFPIHPMIPLDKW-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401240375 1000300292 /nfs/dbraw/zinc/30/02/92/1000300292.db2.gz AODDKFPESFGVQA-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001418537361 1000326831 /nfs/dbraw/zinc/32/68/31/1000326831.db2.gz XJGJLOZOGWRFLC-YRGRVCCFSA-N 1 3 322.457 0.952 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCO)C[C@H]1c1ccccc1 ZINC001418714293 1000470451 /nfs/dbraw/zinc/47/04/51/1000470451.db2.gz YPVBPWRJLPMRMA-JKSUJKDBSA-N 1 3 305.422 0.515 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)[C@H]1CCCN1C ZINC001401596991 1000531935 /nfs/dbraw/zinc/53/19/35/1000531935.db2.gz FVQADKCSNGSMJJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001401600017 1000534891 /nfs/dbraw/zinc/53/48/91/1000534891.db2.gz JQUGMOAHRSQFCH-QWHCGFSZSA-N 1 3 320.437 0.720 20 0 DCADHO CCCC[C@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001418830110 1000557421 /nfs/dbraw/zinc/55/74/21/1000557421.db2.gz OHTUPIDYJKVION-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001418894742 1000596482 /nfs/dbraw/zinc/59/64/82/1000596482.db2.gz ILTSPZKRRLMJJJ-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)N1CCCC1)[NH+](C)C ZINC001401658774 1000598462 /nfs/dbraw/zinc/59/84/62/1000598462.db2.gz GJASLYKKWYBPSG-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001418948104 1000636845 /nfs/dbraw/zinc/63/68/45/1000636845.db2.gz RDCXMXNNQDJIIO-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001418948104 1000636849 /nfs/dbraw/zinc/63/68/49/1000636849.db2.gz RDCXMXNNQDJIIO-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001418949497 1000639229 /nfs/dbraw/zinc/63/92/29/1000639229.db2.gz CCMCYTBJHZMWBA-SNPRPXQTSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCCC1 ZINC001401723829 1000659819 /nfs/dbraw/zinc/65/98/19/1000659819.db2.gz OATVTZIWSYSHGE-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC001419063274 1000735618 /nfs/dbraw/zinc/73/56/18/1000735618.db2.gz ZSLYMDWZFSJYAQ-DLBZAZTESA-N 1 3 319.449 0.732 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001401880199 1000812201 /nfs/dbraw/zinc/81/22/01/1000812201.db2.gz VKLBLLHMJUIWOF-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001419194649 1000871136 /nfs/dbraw/zinc/87/11/36/1000871136.db2.gz ODOBUWBXYXLSDA-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cnnn2C)C2CC2)CC[N@@H+]1C ZINC001419253985 1000922572 /nfs/dbraw/zinc/92/25/72/1000922572.db2.gz SOTYIMMQPCOHOF-KCPJHIHWSA-N 1 3 320.441 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cnnn2C)C2CC2)CC[N@H+]1C ZINC001419253985 1000922576 /nfs/dbraw/zinc/92/25/76/1000922576.db2.gz SOTYIMMQPCOHOF-KCPJHIHWSA-N 1 3 320.441 0.140 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N[C@H]1CCNC1=O ZINC001419259946 1000926850 /nfs/dbraw/zinc/92/68/50/1000926850.db2.gz IBMHTYKGQVYZNI-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(C)C ZINC001419269418 1000934209 /nfs/dbraw/zinc/93/42/09/1000934209.db2.gz VLGQDWOVSULVDB-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402047072 1000971417 /nfs/dbraw/zinc/97/14/17/1000971417.db2.gz AZCRKEHJFNMBII-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402047072 1000971427 /nfs/dbraw/zinc/97/14/27/1000971427.db2.gz AZCRKEHJFNMBII-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402065679 1000987500 /nfs/dbraw/zinc/98/75/00/1000987500.db2.gz YORACHZOODEQHW-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402065679 1000987505 /nfs/dbraw/zinc/98/75/05/1000987505.db2.gz YORACHZOODEQHW-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CCCC1)C(N)=O ZINC001402103279 1001016467 /nfs/dbraw/zinc/01/64/67/1001016467.db2.gz XRUPNOSHPSTGMH-IUODEOHRSA-N 1 3 324.469 0.609 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001419415101 1001032729 /nfs/dbraw/zinc/03/27/29/1001032729.db2.gz USNVKTVPFZYEJP-XUXIUFHCSA-N 1 3 312.458 0.478 20 0 DCADHO CC[C@H](C)NC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001419422751 1001036904 /nfs/dbraw/zinc/03/69/04/1001036904.db2.gz LJURAQBOLDVGKS-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1oncc1CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402257867 1001144344 /nfs/dbraw/zinc/14/43/44/1001144344.db2.gz IHFVIERZZNPSJD-HOCLYGCPSA-N 1 3 322.409 0.130 20 0 DCADHO Cc1oncc1CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402257867 1001144348 /nfs/dbraw/zinc/14/43/48/1001144348.db2.gz IHFVIERZZNPSJD-HOCLYGCPSA-N 1 3 322.409 0.130 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001419756659 1001282569 /nfs/dbraw/zinc/28/25/69/1001282569.db2.gz CXRPMBXBGKBECO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001419773059 1001296514 /nfs/dbraw/zinc/29/65/14/1001296514.db2.gz MKMCODOLQQBIGQ-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001419794237 1001312516 /nfs/dbraw/zinc/31/25/16/1001312516.db2.gz PTACRAKCFJPPGD-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419881395 1001381236 /nfs/dbraw/zinc/38/12/36/1001381236.db2.gz VXXRIPOHGRHYAM-QWHCGFSZSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@H](C)C(N)=O ZINC001419893988 1001391714 /nfs/dbraw/zinc/39/17/14/1001391714.db2.gz KKBLVPFAKPOELE-VXGBXAGGSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccnn1C ZINC001419903500 1001398030 /nfs/dbraw/zinc/39/80/30/1001398030.db2.gz MRAJYOGVFPBZDO-MRXNPFEDSA-N 1 3 321.469 0.992 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001402552538 1001403437 /nfs/dbraw/zinc/40/34/37/1001403437.db2.gz RZJUYLUGBWROER-JOCQHMNTSA-N 1 3 320.441 0.761 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001402552538 1001403439 /nfs/dbraw/zinc/40/34/39/1001403439.db2.gz RZJUYLUGBWROER-JOCQHMNTSA-N 1 3 320.441 0.761 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001402606583 1001438094 /nfs/dbraw/zinc/43/80/94/1001438094.db2.gz JALSFZGGAXIXPY-UPJWGTAASA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001402759574 1001491968 /nfs/dbraw/zinc/49/19/68/1001491968.db2.gz XAFPCWPSVDICMW-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCc1ccnn1C ZINC001402782681 1001500040 /nfs/dbraw/zinc/50/00/40/1001500040.db2.gz SHJXEPBQHXWEFI-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO Cc1ncc(CN[C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001505733289 1016504485 /nfs/dbraw/zinc/50/44/85/1016504485.db2.gz RBFZPGJSNNFLTA-CHWSQXEVSA-N 1 3 317.437 0.864 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](O)COC)N(C)C ZINC001402919611 1001579141 /nfs/dbraw/zinc/57/91/41/1001579141.db2.gz IHXQSRBDZMEQNP-ZNMIVQPWSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)C[C@@H](O)COC)N(C)C ZINC001402919611 1001579142 /nfs/dbraw/zinc/57/91/42/1001579142.db2.gz IHXQSRBDZMEQNP-ZNMIVQPWSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCn1cncn1 ZINC001402986167 1001619515 /nfs/dbraw/zinc/61/95/15/1001619515.db2.gz BYJCNYQVTZDJQX-CYBMUJFWSA-N 1 3 308.430 0.247 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001402989536 1001620819 /nfs/dbraw/zinc/62/08/19/1001620819.db2.gz FDCRXTAYGRDOEP-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001402989536 1001620821 /nfs/dbraw/zinc/62/08/21/1001620821.db2.gz FDCRXTAYGRDOEP-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCn1cncn1 ZINC001402999627 1001625957 /nfs/dbraw/zinc/62/59/57/1001625957.db2.gz JCPLXLSMDMEKIE-CYBMUJFWSA-N 1 3 310.446 0.350 20 0 DCADHO C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001403028970 1001638889 /nfs/dbraw/zinc/63/88/89/1001638889.db2.gz TUHILSUFHVROIS-OLZOCXBDSA-N 1 3 308.430 0.245 20 0 DCADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)NCC(=O)N1CCC1 ZINC001403030100 1001640502 /nfs/dbraw/zinc/64/05/02/1001640502.db2.gz YGCCKWRLYUQXFY-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1ccnn1C ZINC001403034803 1001643031 /nfs/dbraw/zinc/64/30/31/1001643031.db2.gz WBRKJIPWBWEZIZ-CHWSQXEVSA-N 1 3 307.442 0.887 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001403273669 1001773703 /nfs/dbraw/zinc/77/37/03/1001773703.db2.gz HFDZTWLNVHFYJV-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001403273774 1001773795 /nfs/dbraw/zinc/77/37/95/1001773795.db2.gz XYOMCKHZZPPLHB-CQSZACIVSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(CCCN2CCCC2=O)C1 ZINC001403323929 1001816097 /nfs/dbraw/zinc/81/60/97/1001816097.db2.gz MOOLHURKVKTXCM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001505775502 1016549439 /nfs/dbraw/zinc/54/94/39/1016549439.db2.gz YVPKCNWRRJDBQG-NRXISQOPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001424856414 1002097441 /nfs/dbraw/zinc/09/74/41/1002097441.db2.gz MQVGVPCHILWHFA-UONOGXRCSA-N 1 3 309.458 0.786 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001403545974 1002116244 /nfs/dbraw/zinc/11/62/44/1002116244.db2.gz KNGYWKOLCPUEMK-FPMFFAJLSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001403545974 1002116255 /nfs/dbraw/zinc/11/62/55/1002116255.db2.gz KNGYWKOLCPUEMK-FPMFFAJLSA-N 1 3 310.442 0.029 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001403554588 1002134638 /nfs/dbraw/zinc/13/46/38/1002134638.db2.gz MFERGIJTJBRKRV-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001403554588 1002134644 /nfs/dbraw/zinc/13/46/44/1002134644.db2.gz MFERGIJTJBRKRV-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCc1cncn1C)[NH+](C)C ZINC001403598762 1002189454 /nfs/dbraw/zinc/18/94/54/1002189454.db2.gz KAHKYSIWFNWZKG-DZGCQCFKSA-N 1 3 309.458 0.943 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420322676 1002225393 /nfs/dbraw/zinc/22/53/93/1002225393.db2.gz TUGUJODYXSGSIU-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001420345825 1002258112 /nfs/dbraw/zinc/25/81/12/1002258112.db2.gz SYUAKVKNTHHHKV-VWYCJHECSA-N 1 3 313.364 0.734 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001420378451 1002309271 /nfs/dbraw/zinc/30/92/71/1002309271.db2.gz USEOYRWVPGDLAE-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cncn1C ZINC001420422132 1002393834 /nfs/dbraw/zinc/39/38/34/1002393834.db2.gz SORJNUKHOIEHQZ-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cncn1C ZINC001420422132 1002393848 /nfs/dbraw/zinc/39/38/48/1002393848.db2.gz SORJNUKHOIEHQZ-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420423433 1002396261 /nfs/dbraw/zinc/39/62/61/1002396261.db2.gz MYIUNQLUUIUVRC-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420423433 1002396275 /nfs/dbraw/zinc/39/62/75/1002396275.db2.gz MYIUNQLUUIUVRC-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNCc1cc(CO)ccc1F)NC(=O)CC[NH+](C)C ZINC001420465629 1002458338 /nfs/dbraw/zinc/45/83/38/1002458338.db2.gz XMJAPBWTUZQUOY-LBPRGKRZSA-N 1 3 311.401 0.864 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001403766707 1002491189 /nfs/dbraw/zinc/49/11/89/1002491189.db2.gz KDXIIIHJNRIDBM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001403766707 1002491193 /nfs/dbraw/zinc/49/11/93/1002491193.db2.gz KDXIIIHJNRIDBM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001420519816 1002548142 /nfs/dbraw/zinc/54/81/42/1002548142.db2.gz VQGWNKOUZCDVLJ-QWHCGFSZSA-N 1 3 314.474 0.724 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)N1CCCC1)C1CC1 ZINC001425501307 1002741768 /nfs/dbraw/zinc/74/17/68/1002741768.db2.gz WKFBJWYBTLGVHO-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001425685534 1002957347 /nfs/dbraw/zinc/95/73/47/1002957347.db2.gz RNCMVTCCJUNHDZ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001405855687 1003143278 /nfs/dbraw/zinc/14/32/78/1003143278.db2.gz ZPSDHZAUMZNBMG-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)CC(C)(C)C ZINC001421113883 1003332834 /nfs/dbraw/zinc/33/28/34/1003332834.db2.gz ZZUWVDHSMRAANI-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO O=C(C[NH+]1CCCC1)NC[C@@]1(O)CCN(C/C=C\Cl)C1 ZINC001421384240 1003609872 /nfs/dbraw/zinc/60/98/72/1003609872.db2.gz FDNAAFHDNGPACY-MFBWXBCUSA-N 1 3 301.818 0.388 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001406367546 1003647025 /nfs/dbraw/zinc/64/70/25/1003647025.db2.gz XJRNHJHQBCVALM-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001428305281 1003850062 /nfs/dbraw/zinc/85/00/62/1003850062.db2.gz RCZWSLBNBULZQQ-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001428305281 1003850071 /nfs/dbraw/zinc/85/00/71/1003850071.db2.gz RCZWSLBNBULZQQ-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)N(C)C ZINC001426730656 1003991539 /nfs/dbraw/zinc/99/15/39/1003991539.db2.gz DAADSZIXEICMOB-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)cn1 ZINC001406790216 1004099046 /nfs/dbraw/zinc/09/90/46/1004099046.db2.gz UHMDWVCAQUFRKO-OAHLLOKOSA-N 1 3 317.437 0.500 20 0 DCADHO C[C@@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCCCC1 ZINC001406794682 1004102468 /nfs/dbraw/zinc/10/24/68/1004102468.db2.gz VOBGOQPELFJDNJ-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001428683867 1004109791 /nfs/dbraw/zinc/10/97/91/1004109791.db2.gz KZDHBRNEAWFCPN-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001407050285 1004332839 /nfs/dbraw/zinc/33/28/39/1004332839.db2.gz HUEKKKSAQXDBCE-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001407050285 1004332849 /nfs/dbraw/zinc/33/28/49/1004332849.db2.gz HUEKKKSAQXDBCE-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C[C@@H]1C ZINC001407078243 1004358172 /nfs/dbraw/zinc/35/81/72/1004358172.db2.gz AZFGRXMNROXIID-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001429115574 1004395041 /nfs/dbraw/zinc/39/50/41/1004395041.db2.gz YDPLYMZYCNMTST-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C1(C(=O)N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001429389119 1004567913 /nfs/dbraw/zinc/56/79/13/1004567913.db2.gz RAOPXKYXLSDAIB-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001429389119 1004567919 /nfs/dbraw/zinc/56/79/19/1004567919.db2.gz RAOPXKYXLSDAIB-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)CCC1 ZINC001429482449 1004625697 /nfs/dbraw/zinc/62/56/97/1004625697.db2.gz WREJRVMHGXYFSQ-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001473262803 1016915995 /nfs/dbraw/zinc/91/59/95/1016915995.db2.gz FBPUNUYUCIOCOA-QZTJIDSGSA-N 1 3 324.513 0.667 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001473262803 1016916005 /nfs/dbraw/zinc/91/60/05/1016916005.db2.gz FBPUNUYUCIOCOA-QZTJIDSGSA-N 1 3 324.513 0.667 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001473262805 1016916730 /nfs/dbraw/zinc/91/67/30/1016916730.db2.gz FBPUNUYUCIOCOA-ZWKOTPCHSA-N 1 3 324.513 0.667 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001473262805 1016916752 /nfs/dbraw/zinc/91/67/52/1016916752.db2.gz FBPUNUYUCIOCOA-ZWKOTPCHSA-N 1 3 324.513 0.667 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001414781683 1005401295 /nfs/dbraw/zinc/40/12/95/1005401295.db2.gz JFRNQLHDOLOBDO-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001414781683 1005401296 /nfs/dbraw/zinc/40/12/96/1005401296.db2.gz JFRNQLHDOLOBDO-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001415304810 1005498751 /nfs/dbraw/zinc/49/87/51/1005498751.db2.gz IIIVGUZFUYRCGV-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@H]1C(=O)N(CCNC(=O)CCC[NH+](C)C)C1CC1 ZINC001415880025 1005628391 /nfs/dbraw/zinc/62/83/91/1005628391.db2.gz PENWIMRAZJZCRY-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001416005898 1005647242 /nfs/dbraw/zinc/64/72/42/1005647242.db2.gz FXRIOCMQJICABZ-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001416005898 1005647245 /nfs/dbraw/zinc/64/72/45/1005647245.db2.gz FXRIOCMQJICABZ-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001417076341 1005779862 /nfs/dbraw/zinc/77/98/62/1005779862.db2.gz YDJNQBVPAVUSFA-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001417319341 1005820247 /nfs/dbraw/zinc/82/02/47/1005820247.db2.gz ADYWSZPIKHYFQV-MRXNPFEDSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001417636987 1005857375 /nfs/dbraw/zinc/85/73/75/1005857375.db2.gz DFQBNZGBHWFTJM-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001438664664 1006001409 /nfs/dbraw/zinc/00/14/09/1006001409.db2.gz PDMDRFCEEFNBQB-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001438718296 1006063634 /nfs/dbraw/zinc/06/36/34/1006063634.db2.gz GEMGWIHDPRMAHX-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C(=O)CN1CCCC1 ZINC001438727292 1006074210 /nfs/dbraw/zinc/07/42/10/1006074210.db2.gz ZWOUQGDLQHXFTO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001438770243 1006104817 /nfs/dbraw/zinc/10/48/17/1006104817.db2.gz LUNYIFSYTFVXHK-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO COc1cc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)ccn1 ZINC001436283194 1006105796 /nfs/dbraw/zinc/10/57/96/1006105796.db2.gz PXTFCAXLJCHUPQ-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001418188557 1006145690 /nfs/dbraw/zinc/14/56/90/1006145690.db2.gz GJDYZLZWIAMSOB-YMAMQOFZSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001436380205 1006151901 /nfs/dbraw/zinc/15/19/01/1006151901.db2.gz SGOJOYKOYLUBQX-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001436397681 1006162952 /nfs/dbraw/zinc/16/29/52/1006162952.db2.gz IBZSLRPVNIPJBR-JYJNAYRXSA-N 1 3 321.469 0.954 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418226026 1006200216 /nfs/dbraw/zinc/20/02/16/1006200216.db2.gz KIXKPMQCUULUSE-NJZAAPMLSA-N 1 3 307.442 0.663 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418226026 1006200221 /nfs/dbraw/zinc/20/02/21/1006200221.db2.gz KIXKPMQCUULUSE-NJZAAPMLSA-N 1 3 307.442 0.663 20 0 DCADHO CCn1cc(CC[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001438897820 1006205580 /nfs/dbraw/zinc/20/55/80/1006205580.db2.gz DWZSIUISZPHDDE-MRXNPFEDSA-N 1 3 321.469 0.930 20 0 DCADHO CCn1cc(CC[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001438897820 1006205589 /nfs/dbraw/zinc/20/55/89/1006205589.db2.gz DWZSIUISZPHDDE-MRXNPFEDSA-N 1 3 321.469 0.930 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1cnn(C)c1 ZINC001418237752 1006223161 /nfs/dbraw/zinc/22/31/61/1006223161.db2.gz QGLUIDGKURCQTD-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC(=O)NC2CC2)C2CC2)C1 ZINC001436805684 1006380868 /nfs/dbraw/zinc/38/08/68/1006380868.db2.gz IQKHAJVNIPJGOF-DOMZBBRYSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)NC(=O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001436829701 1006400181 /nfs/dbraw/zinc/40/01/81/1006400181.db2.gz RVLXIDVNFDOLRT-AWEZNQCLSA-N 1 3 322.453 0.091 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)CC)C1 ZINC001418350637 1006414978 /nfs/dbraw/zinc/41/49/78/1006414978.db2.gz SAMWACOQBSOESX-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCO)C1 ZINC001437057901 1006555846 /nfs/dbraw/zinc/55/58/46/1006555846.db2.gz CWCHWHANLLQVTD-OCCSQVGLSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCCO)C1 ZINC001437057901 1006555862 /nfs/dbraw/zinc/55/58/62/1006555862.db2.gz CWCHWHANLLQVTD-OCCSQVGLSA-N 1 3 308.426 0.860 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC ZINC001437058871 1006557131 /nfs/dbraw/zinc/55/71/31/1006557131.db2.gz SVFBQMLMTKMGSY-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001439282289 1006652420 /nfs/dbraw/zinc/65/24/20/1006652420.db2.gz JCJCLIPBFHISCY-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439282289 1006652426 /nfs/dbraw/zinc/65/24/26/1006652426.db2.gz JCJCLIPBFHISCY-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)N[C@@H](C)C(N)=O ZINC001437186780 1006682354 /nfs/dbraw/zinc/68/23/54/1006682354.db2.gz ZVRCTDJZFVEBJR-OLZOCXBDSA-N 1 3 320.437 0.372 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001437203955 1006700590 /nfs/dbraw/zinc/70/05/90/1006700590.db2.gz UJFMGDYCZUZJLY-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NCC1CCC1 ZINC001437205158 1006706559 /nfs/dbraw/zinc/70/65/59/1006706559.db2.gz LEOHXHNOVIRYSH-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001437289018 1006801860 /nfs/dbraw/zinc/80/18/60/1006801860.db2.gz FWYGQBZAVUABSG-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001437289018 1006801881 /nfs/dbraw/zinc/80/18/81/1006801881.db2.gz FWYGQBZAVUABSG-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)n1cc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001437315955 1006833708 /nfs/dbraw/zinc/83/37/08/1006833708.db2.gz WOEJZXBUBHPGAS-AWEZNQCLSA-N 1 3 322.457 0.749 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001439648241 1007112371 /nfs/dbraw/zinc/11/23/71/1007112371.db2.gz YLYSRNDZIAIPQT-OAHLLOKOSA-N 1 3 301.406 0.430 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001452884880 1007130772 /nfs/dbraw/zinc/13/07/72/1007130772.db2.gz LTFOBSOXSQFSDW-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001452884880 1007130777 /nfs/dbraw/zinc/13/07/77/1007130777.db2.gz LTFOBSOXSQFSDW-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001439784266 1007197114 /nfs/dbraw/zinc/19/71/14/1007197114.db2.gz QVEPUWWJYZSABH-HNNXBMFYSA-N 1 3 307.442 0.761 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCCC2)C1 ZINC001439787911 1007200170 /nfs/dbraw/zinc/20/01/70/1007200170.db2.gz UIUUSECLDQVCMS-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCCC2)C1 ZINC001439787911 1007200174 /nfs/dbraw/zinc/20/01/74/1007200174.db2.gz UIUUSECLDQVCMS-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCN2CCCC2=O)C1)N(C)C ZINC001437730710 1007324660 /nfs/dbraw/zinc/32/46/60/1007324660.db2.gz WRJGIDODKGVRFS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1)N(C)C ZINC001437730710 1007324679 /nfs/dbraw/zinc/32/46/79/1007324679.db2.gz WRJGIDODKGVRFS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+]1CCC(C(=O)NCCN(CCn2cccn2)C2CC2)CC1 ZINC001437809696 1007423004 /nfs/dbraw/zinc/42/30/04/1007423004.db2.gz RHSDMJLYJKEVGX-UHFFFAOYSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001453392570 1007451408 /nfs/dbraw/zinc/45/14/08/1007451408.db2.gz QQXDXDRVEFXJOY-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001453392570 1007451412 /nfs/dbraw/zinc/45/14/12/1007451412.db2.gz QQXDXDRVEFXJOY-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001453392568 1007451841 /nfs/dbraw/zinc/45/18/41/1007451841.db2.gz QQXDXDRVEFXJOY-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001453392568 1007451846 /nfs/dbraw/zinc/45/18/46/1007451846.db2.gz QQXDXDRVEFXJOY-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](NCCO)c2ccccc2)C1 ZINC001437869503 1007473604 /nfs/dbraw/zinc/47/36/04/1007473604.db2.gz HLVRYGOCELUJHU-HOCLYGCPSA-N 1 3 305.422 0.768 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](NCCO)c2ccccc2)C1 ZINC001437869503 1007473612 /nfs/dbraw/zinc/47/36/12/1007473612.db2.gz HLVRYGOCELUJHU-HOCLYGCPSA-N 1 3 305.422 0.768 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001440121630 1007501173 /nfs/dbraw/zinc/50/11/73/1007501173.db2.gz MQZWVJZONPFSCE-STQMWFEESA-N 1 3 312.458 0.276 20 0 DCADHO CCN1CCN(CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001437956978 1007536442 /nfs/dbraw/zinc/53/64/42/1007536442.db2.gz NZKBZXPRHKMAMJ-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCN1CCN(CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001437956978 1007536454 /nfs/dbraw/zinc/53/64/54/1007536454.db2.gz NZKBZXPRHKMAMJ-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437983991 1007558692 /nfs/dbraw/zinc/55/86/92/1007558692.db2.gz AHAMOXPVGGJMGY-OCCSQVGLSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437983991 1007558700 /nfs/dbraw/zinc/55/87/00/1007558700.db2.gz AHAMOXPVGGJMGY-OCCSQVGLSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437994268 1007573138 /nfs/dbraw/zinc/57/31/38/1007573138.db2.gz VIKUTVJWDKWPIF-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001440350030 1007685780 /nfs/dbraw/zinc/68/57/80/1007685780.db2.gz NBUADXMBFJLHFV-HDJSIYSDSA-N 1 3 322.457 0.543 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440461820 1007795027 /nfs/dbraw/zinc/79/50/27/1007795027.db2.gz MLAJQIXWRBGJHZ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001440598537 1007912029 /nfs/dbraw/zinc/91/20/29/1007912029.db2.gz WWKRLNCTQKBNGD-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)CCN1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001440623266 1007923750 /nfs/dbraw/zinc/92/37/50/1007923750.db2.gz JOUJFYPKLJJGHG-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(N)=O ZINC001441400561 1008346688 /nfs/dbraw/zinc/34/66/88/1008346688.db2.gz CCRRKFNLJQRNLW-QWHCGFSZSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCc1ccnn1C ZINC001441536145 1008395381 /nfs/dbraw/zinc/39/53/81/1008395381.db2.gz JSTNKNLSCZFMMP-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001441543107 1008397903 /nfs/dbraw/zinc/39/79/03/1008397903.db2.gz VXLVVTIWOKVOLI-OKILXGFUSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C)C1=O ZINC001441663675 1008446628 /nfs/dbraw/zinc/44/66/28/1008446628.db2.gz YEYVQXQEPGRKTF-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NC2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001441832538 1008537822 /nfs/dbraw/zinc/53/78/22/1008537822.db2.gz GQKNKKMZLZCSBN-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001453559366 1008579300 /nfs/dbraw/zinc/57/93/00/1008579300.db2.gz ZTOVIYQBSVQYOV-KFWWJZLASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001453559366 1008579309 /nfs/dbraw/zinc/57/93/09/1008579309.db2.gz ZTOVIYQBSVQYOV-KFWWJZLASA-N 1 3 324.469 0.241 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001453674329 1008657123 /nfs/dbraw/zinc/65/71/23/1008657123.db2.gz HXKBFBSMWHVHPM-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC[C@@H](C(=O)NCCN1CCC([NH2+]CCF)CC1)N(C)C ZINC001421586362 1008761206 /nfs/dbraw/zinc/76/12/06/1008761206.db2.gz LTNQOTXLPJDLAW-AWEZNQCLSA-N 1 3 302.438 0.466 20 0 DCADHO C[C@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001433481643 1008838937 /nfs/dbraw/zinc/83/89/37/1008838937.db2.gz CRXBZPNNLZKZFV-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC2(CCN(CC(=O)NC)C2)CC1 ZINC001421656194 1008878737 /nfs/dbraw/zinc/87/87/37/1008878737.db2.gz FVWUSXUGFVZUPD-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC2(CCN(CC(=O)NC)C2)CC1 ZINC001421656194 1008878755 /nfs/dbraw/zinc/87/87/55/1008878755.db2.gz FVWUSXUGFVZUPD-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001421687213 1008932781 /nfs/dbraw/zinc/93/27/81/1008932781.db2.gz YDAMNXGSQLRFOB-AWEZNQCLSA-N 1 3 324.469 0.515 20 0 DCADHO Cn1cc(CNC2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)cn1 ZINC001421776642 1009070456 /nfs/dbraw/zinc/07/04/56/1009070456.db2.gz QQXXKGWWORCEGX-UHFFFAOYSA-N 1 3 319.453 0.890 20 0 DCADHO CC[C@@H](F)CNC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001421814247 1009125252 /nfs/dbraw/zinc/12/52/52/1009125252.db2.gz FPOVTXIJLNDIEK-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@@H](F)CNC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001421814247 1009125257 /nfs/dbraw/zinc/12/52/57/1009125257.db2.gz FPOVTXIJLNDIEK-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC001421875801 1009194865 /nfs/dbraw/zinc/19/48/65/1009194865.db2.gz UZUNCYCINLPDSZ-HIFRSBDPSA-N 1 3 320.437 0.416 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001421906618 1009241599 /nfs/dbraw/zinc/24/15/99/1009241599.db2.gz XCFSAIIYTWSKCN-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001421989260 1009368316 /nfs/dbraw/zinc/36/83/16/1009368316.db2.gz SLVXJZYWOYJDLW-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nnc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001422032279 1009416119 /nfs/dbraw/zinc/41/61/19/1009416119.db2.gz QAHYNKGRTZBEAK-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)[C@@H](C)C1 ZINC001422036294 1009422118 /nfs/dbraw/zinc/42/21/18/1009422118.db2.gz XVEKBFIIUDELAE-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001422060668 1009445409 /nfs/dbraw/zinc/44/54/09/1009445409.db2.gz JXERKDQKERCGRC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)CCn1cccn1 ZINC001422160539 1009584217 /nfs/dbraw/zinc/58/42/17/1009584217.db2.gz IOEXXQHQTSSWDZ-MRXNPFEDSA-N 1 3 319.453 0.615 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001442907072 1009919351 /nfs/dbraw/zinc/91/93/51/1009919351.db2.gz OMXCHVVPEFYHNG-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001442907072 1009919363 /nfs/dbraw/zinc/91/93/63/1009919363.db2.gz OMXCHVVPEFYHNG-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422357794 1009945912 /nfs/dbraw/zinc/94/59/12/1009945912.db2.gz GCCANUYRHJVGNF-DOMZBBRYSA-N 1 3 303.422 0.674 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001422416079 1010051628 /nfs/dbraw/zinc/05/16/28/1010051628.db2.gz LYDSHQQXZPNMSA-UONOGXRCSA-N 1 3 322.453 0.710 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001506162618 1017082110 /nfs/dbraw/zinc/08/21/10/1017082110.db2.gz ZCQUGHHGCRXJPM-UHFFFAOYSA-N 1 3 321.425 0.367 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001506162618 1017082127 /nfs/dbraw/zinc/08/21/27/1017082127.db2.gz ZCQUGHHGCRXJPM-UHFFFAOYSA-N 1 3 321.425 0.367 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001422436468 1010080144 /nfs/dbraw/zinc/08/01/44/1010080144.db2.gz FGWFIZHQTBNJDV-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001422435901 1010080237 /nfs/dbraw/zinc/08/02/37/1010080237.db2.gz AZAFCTWIVKIVEQ-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1CC)C(N)=O ZINC001422451962 1010107746 /nfs/dbraw/zinc/10/77/46/1010107746.db2.gz QANDNTFOHJZKCS-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001443150171 1010174784 /nfs/dbraw/zinc/17/47/84/1010174784.db2.gz VSCJLGJQDZYZAQ-OLZOCXBDSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001456298891 1010178175 /nfs/dbraw/zinc/17/81/75/1010178175.db2.gz LPUVJKQRMCRSRO-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001456298891 1010178184 /nfs/dbraw/zinc/17/81/84/1010178184.db2.gz LPUVJKQRMCRSRO-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(CCCO)C1 ZINC001443191401 1010206073 /nfs/dbraw/zinc/20/60/73/1010206073.db2.gz UUYUWGMOBKNRSP-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001443228556 1010243008 /nfs/dbraw/zinc/24/30/08/1010243008.db2.gz KGWUASMOKWBGOW-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001443228556 1010243017 /nfs/dbraw/zinc/24/30/17/1010243017.db2.gz KGWUASMOKWBGOW-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](NC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001422581663 1010346208 /nfs/dbraw/zinc/34/62/08/1010346208.db2.gz JOMYSCMLOHWZGK-DOMZBBRYSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001422601493 1010385850 /nfs/dbraw/zinc/38/58/50/1010385850.db2.gz KHAYQJLLQQRMEH-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001422697769 1010497356 /nfs/dbraw/zinc/49/73/56/1010497356.db2.gz DLXYQTLBIGTNNI-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C12CCC[NH+]1CCC2 ZINC001422846278 1010667922 /nfs/dbraw/zinc/66/79/22/1010667922.db2.gz DSJQADRTPOSAST-CQSZACIVSA-N 1 3 320.441 0.343 20 0 DCADHO CN(C)C(=O)CN(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001422925154 1010744490 /nfs/dbraw/zinc/74/44/90/1010744490.db2.gz GMWJMWLAHFFALQ-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1nnc(CN[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)[nH]1 ZINC001422973918 1010777172 /nfs/dbraw/zinc/77/71/72/1010777172.db2.gz ZUFCRHXHCYIUIG-UONOGXRCSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nnc(CN[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)[nH]1 ZINC001422973918 1010777175 /nfs/dbraw/zinc/77/71/75/1010777175.db2.gz ZUFCRHXHCYIUIG-UONOGXRCSA-N 1 3 322.457 0.685 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001443965866 1010779388 /nfs/dbraw/zinc/77/93/88/1010779388.db2.gz GBVQQYYHYABTAD-IHRRRGAJSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001443965866 1010779391 /nfs/dbraw/zinc/77/93/91/1010779391.db2.gz GBVQQYYHYABTAD-IHRRRGAJSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001422985041 1010788223 /nfs/dbraw/zinc/78/82/23/1010788223.db2.gz PEGPNRWFQVFIOB-DOMZBBRYSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](NC[C@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001422985045 1010789440 /nfs/dbraw/zinc/78/94/40/1010789440.db2.gz PEGPNRWFQVFIOB-SWLSCSKDSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)N[C@@H](C)C(N)=O ZINC001423047433 1010837512 /nfs/dbraw/zinc/83/75/12/1010837512.db2.gz GWKXOKDPEZBQAU-OLZOCXBDSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001423060040 1010851222 /nfs/dbraw/zinc/85/12/22/1010851222.db2.gz NDVWAXUEHVVDFR-CABCVRRESA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001423060040 1010851229 /nfs/dbraw/zinc/85/12/29/1010851229.db2.gz NDVWAXUEHVVDFR-CABCVRRESA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@H]1CCCNC1=O ZINC001423099160 1010887186 /nfs/dbraw/zinc/88/71/86/1010887186.db2.gz PZLVDWDTNKFVRC-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001444240369 1010919268 /nfs/dbraw/zinc/91/92/68/1010919268.db2.gz DGBIXHDZORYQKQ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001444240369 1010919273 /nfs/dbraw/zinc/91/92/73/1010919273.db2.gz DGBIXHDZORYQKQ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)[C@@H](C)C1 ZINC001444787832 1011172893 /nfs/dbraw/zinc/17/28/93/1011172893.db2.gz LPXZDDSHCKPXBH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C1CCCC1 ZINC001423539696 1011229460 /nfs/dbraw/zinc/22/94/60/1011229460.db2.gz ZEXDDLXNUYQSHM-GXTWGEPZSA-N 1 3 312.458 0.465 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C2CCCC2)C1 ZINC001423546450 1011241409 /nfs/dbraw/zinc/24/14/09/1011241409.db2.gz VBRDOHXKUZDTOQ-JSGCOSHPSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C2CCCC2)C1 ZINC001423546450 1011241424 /nfs/dbraw/zinc/24/14/24/1011241424.db2.gz VBRDOHXKUZDTOQ-JSGCOSHPSA-N 1 3 310.442 0.078 20 0 DCADHO CCN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001445109511 1011411360 /nfs/dbraw/zinc/41/13/60/1011411360.db2.gz CMDMLHGZRIQRSS-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001533511273 1011430197 /nfs/dbraw/zinc/43/01/97/1011430197.db2.gz VJNCBUOQJRYFLF-GXMNPTEKSA-N 1 3 310.442 0.067 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001533511273 1011430200 /nfs/dbraw/zinc/43/02/00/1011430200.db2.gz VJNCBUOQJRYFLF-GXMNPTEKSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001533929860 1011517065 /nfs/dbraw/zinc/51/70/65/1011517065.db2.gz LATAIDWHCRVPMY-SYQHCUMBSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001533929860 1011517075 /nfs/dbraw/zinc/51/70/75/1011517075.db2.gz LATAIDWHCRVPMY-SYQHCUMBSA-N 1 3 312.458 0.288 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCCN(C)C1=O ZINC001445484111 1011816976 /nfs/dbraw/zinc/81/69/76/1011816976.db2.gz UCXVHKUIQFQJOA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCCN(C)C1=O ZINC001445484111 1011816984 /nfs/dbraw/zinc/81/69/84/1011816984.db2.gz UCXVHKUIQFQJOA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2CCn1cncn1 ZINC001424032178 1011883588 /nfs/dbraw/zinc/88/35/88/1011883588.db2.gz BVHKTXHFZGOTDO-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[NH2+]CCC23CCOCC3)C1 ZINC001553413172 1011953651 /nfs/dbraw/zinc/95/36/51/1011953651.db2.gz QUGKJZPTLFEZEU-AWEZNQCLSA-N 1 3 310.442 0.635 20 0 DCADHO CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001424082601 1011967325 /nfs/dbraw/zinc/96/73/25/1011967325.db2.gz KGIYIQSWLRWRBH-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553467438 1012005139 /nfs/dbraw/zinc/00/51/39/1012005139.db2.gz XCQUEHHOKGPLNG-BPLDGKMQSA-N 1 3 322.453 0.618 20 0 DCADHO [NH3+]C1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CCCCC1 ZINC001553491016 1012024207 /nfs/dbraw/zinc/02/42/07/1012024207.db2.gz JPDYIQGTZWJPOC-GJZGRUSLSA-N 1 3 324.469 0.889 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553497489 1012035651 /nfs/dbraw/zinc/03/56/51/1012035651.db2.gz SGLDSJOPTLXAML-LSDHHAIUSA-N 1 3 310.442 0.227 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC12CCC2 ZINC001553510894 1012054716 /nfs/dbraw/zinc/05/47/16/1012054716.db2.gz RWXPVLOAXBRBJB-HUUCEWRRSA-N 1 3 322.453 0.763 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553533364 1012087533 /nfs/dbraw/zinc/08/75/33/1012087533.db2.gz KAVWWAJXPUOIIL-RDBSUJKOSA-N 1 3 310.442 0.225 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)N1CC[C@@H]3[C@H]1CCCN3CCO)C2 ZINC001553550399 1012097884 /nfs/dbraw/zinc/09/78/84/1012097884.db2.gz BVBOSAURRPPINI-KDUKZITGSA-N 1 3 322.453 0.497 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001432253601 1012204061 /nfs/dbraw/zinc/20/40/61/1012204061.db2.gz MQCFUIDUAKISNF-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1NCCc2ccccc21 ZINC001548557667 1012478610 /nfs/dbraw/zinc/47/86/10/1012478610.db2.gz JRALFIYFJVESIR-NVXWUHKLSA-N 1 3 303.406 0.494 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424487751 1012568547 /nfs/dbraw/zinc/56/85/47/1012568547.db2.gz SABRPESKKKVUEG-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO Cc1nocc1CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001424537031 1012627947 /nfs/dbraw/zinc/62/79/47/1012627947.db2.gz IEHSJQAWAKESMX-UHFFFAOYSA-N 1 3 324.425 0.378 20 0 DCADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@H]3COC4(CNC4)C3)cc21 ZINC001548568428 1012728410 /nfs/dbraw/zinc/72/84/10/1012728410.db2.gz GTTDZDQCXBMUJA-LSDHHAIUSA-N 1 3 315.417 0.926 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001548583238 1012765313 /nfs/dbraw/zinc/76/53/13/1012765313.db2.gz XLSPYBDTDHYFTE-HIFRSBDPSA-N 1 3 319.405 0.722 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001446447072 1012800149 /nfs/dbraw/zinc/80/01/49/1012800149.db2.gz HUEKKKSAQXDBCE-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001446447072 1012800131 /nfs/dbraw/zinc/80/01/31/1012800131.db2.gz HUEKKKSAQXDBCE-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO COCCN1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001446795778 1012991980 /nfs/dbraw/zinc/99/19/80/1012991980.db2.gz RAZDQDBQVVIOHT-INIZCTEOSA-N 1 3 313.442 0.062 20 0 DCADHO CN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001506313220 1017200344 /nfs/dbraw/zinc/20/03/44/1017200344.db2.gz BXSYTGFICDUJIA-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)CN2CCCC2)C1 ZINC001509509525 1017338972 /nfs/dbraw/zinc/33/89/72/1017338972.db2.gz IMNIMCAQOVXOQW-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)CN2CCCC2)C1 ZINC001509509525 1017338977 /nfs/dbraw/zinc/33/89/77/1017338977.db2.gz IMNIMCAQOVXOQW-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001479370799 1017526457 /nfs/dbraw/zinc/52/64/57/1017526457.db2.gz BRZHEAIQZRKHIL-CTYIDZIISA-N 1 3 319.453 0.889 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001506826646 1017587373 /nfs/dbraw/zinc/58/73/73/1017587373.db2.gz SQRZNBROAIWCLS-NGFQHRJXSA-N 1 3 320.437 0.716 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001506826646 1017587386 /nfs/dbraw/zinc/58/73/86/1017587386.db2.gz SQRZNBROAIWCLS-NGFQHRJXSA-N 1 3 320.437 0.716 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCCC1 ZINC001479589528 1017588051 /nfs/dbraw/zinc/58/80/51/1017588051.db2.gz AXPJXNYOAXKXAP-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1C[C@H](C(=O)NC[C@@H](O)CNCCF)[C@@H](c2ccccc2)C1 ZINC001497058057 1017796342 /nfs/dbraw/zinc/79/63/42/1017796342.db2.gz RXLXSMLEIRTBAK-XHSDSOJGSA-N 1 3 323.412 0.368 20 0 DCADHO C[N@H+]1C[C@H](C(=O)NC[C@@H](O)CNCCF)[C@@H](c2ccccc2)C1 ZINC001497058057 1017796358 /nfs/dbraw/zinc/79/63/58/1017796358.db2.gz RXLXSMLEIRTBAK-XHSDSOJGSA-N 1 3 323.412 0.368 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001497096513 1017862258 /nfs/dbraw/zinc/86/22/58/1017862258.db2.gz CMYAUOKRHJEVSB-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCN(C)C1=O ZINC001479845878 1017877600 /nfs/dbraw/zinc/87/76/00/1017877600.db2.gz YRVZRGUOAIRHHD-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCN(C)C1=O ZINC001479845878 1017877616 /nfs/dbraw/zinc/87/76/16/1017877616.db2.gz YRVZRGUOAIRHHD-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(N)=O)N(CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001479875136 1017923765 /nfs/dbraw/zinc/92/37/65/1017923765.db2.gz ONBNKOUWBYWGJU-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cncn1C)NC(=O)C1(N(C)C)CCC1 ZINC001497206904 1017968818 /nfs/dbraw/zinc/96/88/18/1017968818.db2.gz WGBHUCSOFSIVJM-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(CCn2cccn2)C1 ZINC001494841025 1018093803 /nfs/dbraw/zinc/09/38/03/1018093803.db2.gz DFBCCLNRLNVRPQ-HNNXBMFYSA-N 1 3 319.453 0.758 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOCC(F)F ZINC001499882050 1018116733 /nfs/dbraw/zinc/11/67/33/1018116733.db2.gz CMOWBMXRJQPFFI-STQMWFEESA-N 1 3 319.396 0.943 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001480112094 1018215856 /nfs/dbraw/zinc/21/58/56/1018215856.db2.gz ZQMOXACNIUQMHB-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495045328 1018264771 /nfs/dbraw/zinc/26/47/71/1018264771.db2.gz CGGVQAAEMHPFEA-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495045328 1018264783 /nfs/dbraw/zinc/26/47/83/1018264783.db2.gz CGGVQAAEMHPFEA-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cncn1C ZINC001495057012 1018272766 /nfs/dbraw/zinc/27/27/66/1018272766.db2.gz CEBZUBPIDHARAW-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001495094604 1018307422 /nfs/dbraw/zinc/30/74/22/1018307422.db2.gz PSMWVKGTNBLGHJ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001495094604 1018307433 /nfs/dbraw/zinc/30/74/33/1018307433.db2.gz PSMWVKGTNBLGHJ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001480207598 1018315341 /nfs/dbraw/zinc/31/53/41/1018315341.db2.gz DEPZDJIGMODFAH-MCIONIFRSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001480237493 1018348996 /nfs/dbraw/zinc/34/89/96/1018348996.db2.gz AVBAQPJTBAPNGF-YUELXQCFSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001480301453 1018413145 /nfs/dbraw/zinc/41/31/45/1018413145.db2.gz XCGWVUKWDFVNQN-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480307721 1018416018 /nfs/dbraw/zinc/41/60/18/1018416018.db2.gz VNAQIRFEVHBELO-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001480352233 1018459261 /nfs/dbraw/zinc/45/92/61/1018459261.db2.gz UMRKDPALTXPPKW-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001480352233 1018459264 /nfs/dbraw/zinc/45/92/64/1018459264.db2.gz UMRKDPALTXPPKW-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2(C)CCN([C@H]3CCNC3=O)CC2)C1 ZINC001500463388 1018460598 /nfs/dbraw/zinc/46/05/98/1018460598.db2.gz ZBAQPMWRUFJFPT-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2(C)CCN([C@H]3CCNC3=O)CC2)C1 ZINC001500463388 1018460594 /nfs/dbraw/zinc/46/05/94/1018460594.db2.gz ZBAQPMWRUFJFPT-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497961661 1018544426 /nfs/dbraw/zinc/54/44/26/1018544426.db2.gz BVWYZAUPSXQZIO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983842 1018559618 /nfs/dbraw/zinc/55/96/18/1018559618.db2.gz NUKSFTCCLAOXQB-YPMHNXCESA-N 1 3 308.430 0.152 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983842 1018559626 /nfs/dbraw/zinc/55/96/26/1018559626.db2.gz NUKSFTCCLAOXQB-YPMHNXCESA-N 1 3 308.430 0.152 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001498077625 1018635497 /nfs/dbraw/zinc/63/54/97/1018635497.db2.gz LSLXMCLRJLGHMJ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@H]1CCNC1=O ZINC001495720780 1018668725 /nfs/dbraw/zinc/66/87/25/1018668725.db2.gz VUEPVXWBZFAGFZ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495730195 1018672808 /nfs/dbraw/zinc/67/28/08/1018672808.db2.gz KRMPLQZLTRSILY-ILXRZTDVSA-N 1 3 321.469 0.992 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495730195 1018672810 /nfs/dbraw/zinc/67/28/10/1018672810.db2.gz KRMPLQZLTRSILY-ILXRZTDVSA-N 1 3 321.469 0.992 20 0 DCADHO CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480609698 1018705600 /nfs/dbraw/zinc/70/56/00/1018705600.db2.gz YPDNFWSUGMMTKW-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)NC1CC1 ZINC001480664805 1018757182 /nfs/dbraw/zinc/75/71/82/1018757182.db2.gz DCOLKGSJMXOWLG-NEPJUHHUSA-N 1 3 319.409 0.057 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001480672013 1018761657 /nfs/dbraw/zinc/76/16/57/1018761657.db2.gz IQPZYFPKJIBWAB-GXTWGEPZSA-N 1 3 322.457 0.954 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001480672013 1018761667 /nfs/dbraw/zinc/76/16/67/1018761667.db2.gz IQPZYFPKJIBWAB-GXTWGEPZSA-N 1 3 322.457 0.954 20 0 DCADHO Cn1cc(CN[C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)nn1 ZINC001480699059 1018789121 /nfs/dbraw/zinc/78/91/21/1018789121.db2.gz RNGYQKBYIAOZGP-KGLIPLIRSA-N 1 3 322.457 0.674 20 0 DCADHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC(N)=O)CCC1 ZINC001480827040 1018947647 /nfs/dbraw/zinc/94/76/47/1018947647.db2.gz XLFQERCUZYDFJD-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)C1(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(N)=O)CCC1 ZINC001480827040 1018947663 /nfs/dbraw/zinc/94/76/63/1018947663.db2.gz XLFQERCUZYDFJD-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496128610 1019095903 /nfs/dbraw/zinc/09/59/03/1019095903.db2.gz OUUYHJYAGBLPOD-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001496206308 1019164310 /nfs/dbraw/zinc/16/43/10/1019164310.db2.gz HWETUGUGXRVDGW-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001496206308 1019164318 /nfs/dbraw/zinc/16/43/18/1019164318.db2.gz HWETUGUGXRVDGW-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)C1CC1 ZINC001496230026 1019179104 /nfs/dbraw/zinc/17/91/04/1019179104.db2.gz PCXTVKZDGLUXTN-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001501469517 1019209730 /nfs/dbraw/zinc/20/97/30/1019209730.db2.gz NUQLEWCCYSSNDG-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001498559032 1019227976 /nfs/dbraw/zinc/22/79/76/1019227976.db2.gz ALEKOYUBMHMAGM-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001501618226 1019332333 /nfs/dbraw/zinc/33/23/33/1019332333.db2.gz JJORBGAKQRVFTN-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001498707220 1019333591 /nfs/dbraw/zinc/33/35/91/1019333591.db2.gz IOBXTKPKPABIMT-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001498707220 1019333599 /nfs/dbraw/zinc/33/35/99/1019333599.db2.gz IOBXTKPKPABIMT-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001498773353 1019413172 /nfs/dbraw/zinc/41/31/72/1019413172.db2.gz IJDUJCHTJHICNZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001498773353 1019413184 /nfs/dbraw/zinc/41/31/84/1019413184.db2.gz IJDUJCHTJHICNZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(=O)NC)C(C)C)CC[N@@H+]1C ZINC001496562556 1019415080 /nfs/dbraw/zinc/41/50/80/1019415080.db2.gz RQIGCXHEAXFHMT-MELADBBJSA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(=O)NC)C(C)C)CC[N@H+]1C ZINC001496562556 1019415092 /nfs/dbraw/zinc/41/50/92/1019415092.db2.gz RQIGCXHEAXFHMT-MELADBBJSA-N 1 3 312.458 0.193 20 0 DCADHO Cc1ncccc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001502075213 1019685203 /nfs/dbraw/zinc/68/52/03/1019685203.db2.gz XNGRPRXTHVFJKW-MRXNPFEDSA-N 1 3 320.437 0.659 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCO[C@@H](CNCCF)C2)CC1 ZINC001502081219 1019693415 /nfs/dbraw/zinc/69/34/15/1019693415.db2.gz MMQUIGPIIFJIJV-AWEZNQCLSA-N 1 3 301.406 0.505 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001493807124 1019724411 /nfs/dbraw/zinc/72/44/11/1019724411.db2.gz VWNGXNAOLUEHLR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001493848444 1019757453 /nfs/dbraw/zinc/75/74/53/1019757453.db2.gz FDFGQPPXEKXSOC-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO O=C(NC[C@H](NCCO)c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001493889055 1019791726 /nfs/dbraw/zinc/79/17/26/1019791726.db2.gz NEPUFEOTAZCWOX-SJORKVTESA-N 1 3 317.433 0.768 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC(C)(C)O ZINC000665760078 546395879 /nfs/dbraw/zinc/39/58/79/546395879.db2.gz YNHKPOSPPZYBND-ZDUSSCGKSA-N 1 3 302.463 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC(C)(C)O ZINC000665760078 546395885 /nfs/dbraw/zinc/39/58/85/546395885.db2.gz YNHKPOSPPZYBND-ZDUSSCGKSA-N 1 3 302.463 0.671 20 0 DCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000331698383 282195031 /nfs/dbraw/zinc/19/50/31/282195031.db2.gz ZSLMQPAYAADJAQ-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415365521 529975091 /nfs/dbraw/zinc/97/50/91/529975091.db2.gz WDCVSHWWOURRMA-UHFFFAOYSA-N 1 3 318.421 0.947 20 0 DCADHO C[C@@H]1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC000566055785 291265494 /nfs/dbraw/zinc/26/54/94/291265494.db2.gz QXHMFKNSKGGYSI-KFWWJZLASA-N 1 3 314.474 0.935 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000566193699 291279683 /nfs/dbraw/zinc/27/96/83/291279683.db2.gz OINXFTFTJSXCHF-UHFFFAOYSA-N 1 3 316.409 0.619 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)C2)CC1 ZINC000566190495 291279530 /nfs/dbraw/zinc/27/95/30/291279530.db2.gz BCSWMJJSCWOHTJ-OWCLPIDISA-N 1 3 308.470 0.469 20 0 DCADHO [NH3+][C@H]1C[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000566296992 291291755 /nfs/dbraw/zinc/29/17/55/291291755.db2.gz BOLRHBZJYQQNBH-GASCZTMLSA-N 1 3 317.437 0.447 20 0 DCADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329792 240023505 /nfs/dbraw/zinc/02/35/05/240023505.db2.gz HLKVOWBJXNSIDK-UPJWGTAASA-N 1 3 310.442 0.931 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000420031007 240010999 /nfs/dbraw/zinc/01/09/99/240010999.db2.gz RCBRQCVDOZNWJP-GFCCVEGCSA-N 1 3 324.400 0.179 20 0 DCADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420032844 240011531 /nfs/dbraw/zinc/01/15/31/240011531.db2.gz VEXPTQBCAQODFB-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420032844 240011538 /nfs/dbraw/zinc/01/15/38/240011538.db2.gz VEXPTQBCAQODFB-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1CCC[C@@H](C)C1 ZINC000420068394 240013882 /nfs/dbraw/zinc/01/38/82/240013882.db2.gz USDBVTSKLQFUHU-DYEKYZERSA-N 1 3 310.442 0.077 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](CN)C1CCCC1)C(C)C ZINC000420065128 240014259 /nfs/dbraw/zinc/01/42/59/240014259.db2.gz VBTWXSGYPBPDLW-CQSZACIVSA-N 1 3 312.458 0.467 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](CN)C1CCCC1)C(C)C ZINC000420065128 240014261 /nfs/dbraw/zinc/01/42/61/240014261.db2.gz VBTWXSGYPBPDLW-CQSZACIVSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1C[NH2+]C1 ZINC000423035303 240188916 /nfs/dbraw/zinc/18/89/16/240188916.db2.gz YRBRJURUTFVMDY-PBHICJAKSA-N 1 3 318.465 0.473 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422690769 240177745 /nfs/dbraw/zinc/17/77/45/240177745.db2.gz GVZAEGNQFOUDFK-JKSUJKDBSA-N 1 3 318.469 0.706 20 0 DCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000422690769 240177753 /nfs/dbraw/zinc/17/77/53/240177753.db2.gz GVZAEGNQFOUDFK-JKSUJKDBSA-N 1 3 318.469 0.706 20 0 DCADHO N[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000567586723 291362814 /nfs/dbraw/zinc/36/28/14/291362814.db2.gz BPBHLATWVDGJPV-KBPBESRZSA-N 1 3 314.393 0.460 20 0 DCADHO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)[C@H]1CCN1 ZINC000567675054 291368707 /nfs/dbraw/zinc/36/87/07/291368707.db2.gz YUYHONAFUSGLSS-CQSZACIVSA-N 1 3 304.394 0.271 20 0 DCADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567990528 291395971 /nfs/dbraw/zinc/39/59/71/291395971.db2.gz FIIHLWNCTYBWLZ-HZPDHXFCSA-N 1 3 319.453 0.700 20 0 DCADHO CCOCC[C@@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000574565250 291702214 /nfs/dbraw/zinc/70/22/14/291702214.db2.gz MMHSSEANOULGTB-QGZVFWFLSA-N 1 3 313.486 0.922 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000415306441 532955977 /nfs/dbraw/zinc/95/59/77/532955977.db2.gz WSGGMTCRLZWSSU-OAHLLOKOSA-N 1 3 318.421 0.815 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000339668994 253122535 /nfs/dbraw/zinc/12/25/35/253122535.db2.gz IDXPCKQICIGUIC-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000339668994 253122538 /nfs/dbraw/zinc/12/25/38/253122538.db2.gz IDXPCKQICIGUIC-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339965909 253171453 /nfs/dbraw/zinc/17/14/53/253171453.db2.gz QOHPNMKLLZHGSD-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C ZINC000340520012 253271369 /nfs/dbraw/zinc/27/13/69/253271369.db2.gz XHNOJYUIMFGBSC-RDBSUJKOSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000340520012 253271371 /nfs/dbraw/zinc/27/13/71/253271371.db2.gz XHNOJYUIMFGBSC-RDBSUJKOSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347027573 254122937 /nfs/dbraw/zinc/12/29/37/254122937.db2.gz IKSPVYYYSKSHOM-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347027573 254122939 /nfs/dbraw/zinc/12/29/39/254122939.db2.gz IKSPVYYYSKSHOM-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347978847 254208482 /nfs/dbraw/zinc/20/84/82/254208482.db2.gz QCEJQPBLGWYKPV-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347978847 254208483 /nfs/dbraw/zinc/20/84/83/254208483.db2.gz QCEJQPBLGWYKPV-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CCOC[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000348831998 254259474 /nfs/dbraw/zinc/25/94/74/254259474.db2.gz HORUTSQAMCEQFF-INIZCTEOSA-N 1 3 313.486 0.733 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000349902543 254302837 /nfs/dbraw/zinc/30/28/37/254302837.db2.gz BEEAJAQMCHUQNU-HNNXBMFYSA-N 1 3 312.458 0.882 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000349938921 254305139 /nfs/dbraw/zinc/30/51/39/254305139.db2.gz VFWJJBAZYSTFSI-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000349938921 254305140 /nfs/dbraw/zinc/30/51/40/254305140.db2.gz VFWJJBAZYSTFSI-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO CN(C)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351563504 254347446 /nfs/dbraw/zinc/34/74/46/254347446.db2.gz KXYZCLWRYNYJPN-GJZGRUSLSA-N 1 3 318.421 0.274 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000351872437 254376726 /nfs/dbraw/zinc/37/67/26/254376726.db2.gz AYASCJIPTFLJLB-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)NC1 ZINC000337590411 285246885 /nfs/dbraw/zinc/24/68/85/285246885.db2.gz WTUJODUZFUNBAZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)NC1 ZINC000337590411 285246887 /nfs/dbraw/zinc/24/68/87/285246887.db2.gz WTUJODUZFUNBAZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)CC1=O ZINC000247297815 285254690 /nfs/dbraw/zinc/25/46/90/285254690.db2.gz OMBLUNXDLHNSSQ-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417752911 262260571 /nfs/dbraw/zinc/26/05/71/262260571.db2.gz NMOYHRUGIKVUEL-UONOGXRCSA-N 1 3 300.447 0.771 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418931726 262299539 /nfs/dbraw/zinc/29/95/39/262299539.db2.gz HGMMJFDHLIMECB-UONOGXRCSA-N 1 3 314.474 0.665 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236656712 395896039 /nfs/dbraw/zinc/89/60/39/395896039.db2.gz QLISZARMDKQWTR-QLFBSQMISA-N 1 3 324.469 0.467 20 0 DCADHO CN(C(=O)c1ccc(NC(=O)CN)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000237120697 395902737 /nfs/dbraw/zinc/90/27/37/395902737.db2.gz FIUNIZSDFZIIOQ-CQSZACIVSA-N 1 3 304.394 0.750 20 0 DCADHO CN(C(=O)c1ccc(NC(=O)CN)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000237120697 395902741 /nfs/dbraw/zinc/90/27/41/395902741.db2.gz FIUNIZSDFZIIOQ-CQSZACIVSA-N 1 3 304.394 0.750 20 0 DCADHO CC[NH+](CC)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000119667083 395873902 /nfs/dbraw/zinc/87/39/02/395873902.db2.gz SYCTWBCQJQLBST-KRWDZBQOSA-N 1 3 319.449 0.864 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000252851560 396024953 /nfs/dbraw/zinc/02/49/53/396024953.db2.gz IEJHHYTUFBSEPU-QPSCCSFWSA-N 1 3 315.483 0.717 20 0 DCADHO COC(=O)c1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261615982 396049400 /nfs/dbraw/zinc/04/94/00/396049400.db2.gz AFDUCGMRGALVJF-OAHLLOKOSA-N 1 3 319.405 0.760 20 0 DCADHO COc1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1OC ZINC000261730514 396059991 /nfs/dbraw/zinc/05/99/91/396059991.db2.gz MRVUCEPMPWJQCU-CQSZACIVSA-N 1 3 321.421 0.991 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261797232 396067192 /nfs/dbraw/zinc/06/71/92/396067192.db2.gz IRSLEPCHUQCWPM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278922272 396141108 /nfs/dbraw/zinc/14/11/08/396141108.db2.gz DGJAALYNOWSGFL-FRRDWIJNSA-N 1 3 303.410 0.795 20 0 DCADHO C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N(C)C1CC1 ZINC000262056031 396094780 /nfs/dbraw/zinc/09/47/80/396094780.db2.gz AMWSORRLUBWVNM-CYBMUJFWSA-N 1 3 305.426 0.561 20 0 DCADHO C[NH+](C)CCOc1ccc(NC(=O)C[C@H]2CNCCO2)cc1 ZINC000262351871 396128685 /nfs/dbraw/zinc/12/86/85/396128685.db2.gz VGUCJGXCGYWVOZ-HNNXBMFYSA-N 1 3 307.394 0.944 20 0 DCADHO O=C(NC[C@H]1CCCN(CCn2cccn2)C1)[C@H]1CCC[NH2+]1 ZINC000262386928 396134034 /nfs/dbraw/zinc/13/40/34/396134034.db2.gz ZIHYXCKASJSFEM-HUUCEWRRSA-N 1 3 305.426 0.463 20 0 DCADHO C[NH2+]CCC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000262435638 396139841 /nfs/dbraw/zinc/13/98/41/396139841.db2.gz UHMSCTMFAABAMA-CQSZACIVSA-N 1 3 318.421 0.932 20 0 DCADHO NC(=O)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261942613 396081903 /nfs/dbraw/zinc/08/19/03/396081903.db2.gz LSTSZMSMKZEXIL-CQSZACIVSA-N 1 3 304.394 0.072 20 0 DCADHO CNCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000178753241 396207934 /nfs/dbraw/zinc/20/79/34/396207934.db2.gz VWYDUCRJIMWSBA-CYBMUJFWSA-N 1 3 304.394 0.542 20 0 DCADHO CNCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000178753241 396207936 /nfs/dbraw/zinc/20/79/36/396207936.db2.gz VWYDUCRJIMWSBA-CYBMUJFWSA-N 1 3 304.394 0.542 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000263251418 396209357 /nfs/dbraw/zinc/20/93/57/396209357.db2.gz OTGUGLUYNVBDHQ-WFASDCNBSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000263251418 396209360 /nfs/dbraw/zinc/20/93/60/396209360.db2.gz OTGUGLUYNVBDHQ-WFASDCNBSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262520889 396150020 /nfs/dbraw/zinc/15/00/20/396150020.db2.gz ILERKXDARMRUPB-STQMWFEESA-N 1 3 320.437 0.578 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074181133 396160230 /nfs/dbraw/zinc/16/02/30/396160230.db2.gz IRUZUYBQZFXYKJ-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074181133 396160232 /nfs/dbraw/zinc/16/02/32/396160232.db2.gz IRUZUYBQZFXYKJ-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO [NH3+]CCC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262656879 396168906 /nfs/dbraw/zinc/16/89/06/396168906.db2.gz CTPRVHZROQHBSZ-MRXNPFEDSA-N 1 3 305.422 0.897 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)[C@@H]2C1 ZINC000262823943 396185077 /nfs/dbraw/zinc/18/50/77/396185077.db2.gz RKWDEGQWBOHMFI-IJEWVQPXSA-N 1 3 317.437 0.974 20 0 DCADHO CN(C)CCN1CCC(C[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000182834168 396255350 /nfs/dbraw/zinc/25/53/50/396255350.db2.gz ZNKXNXVEANVDEH-HNNXBMFYSA-N 1 3 317.499 0.427 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000183075382 396260592 /nfs/dbraw/zinc/26/05/92/396260592.db2.gz JMESTRDJOOQKMY-CYBMUJFWSA-N 1 3 305.488 0.425 20 0 DCADHO Cc1occc1C(=O)NCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000081737741 396308073 /nfs/dbraw/zinc/30/80/73/396308073.db2.gz VPVSMNJHBWVDRX-UHFFFAOYSA-N 1 3 324.425 0.270 20 0 DCADHO CN(CCC(N)=O)Cc1cccc(C[N@H+](C)CCC(N)=O)c1 ZINC000286342546 396389190 /nfs/dbraw/zinc/38/91/90/396389190.db2.gz GNRRDPGGZVLLJR-UHFFFAOYSA-N 1 3 306.410 0.301 20 0 DCADHO CN(CCC(N)=O)Cc1cccc(C[N@@H+](C)CCC(N)=O)c1 ZINC000286342546 396389192 /nfs/dbraw/zinc/38/91/92/396389192.db2.gz GNRRDPGGZVLLJR-UHFFFAOYSA-N 1 3 306.410 0.301 20 0 DCADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@H]2CNCCO2)CC1 ZINC000269250396 396400041 /nfs/dbraw/zinc/40/00/41/396400041.db2.gz XNKPZVKDARBVMX-AWEZNQCLSA-N 1 3 321.425 0.857 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000187924073 396376488 /nfs/dbraw/zinc/37/64/88/396376488.db2.gz JNUFHKOCXZXRSR-ZQDZILKHSA-N 1 3 313.442 0.369 20 0 DCADHO N[C@H]1C[C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCN2C1=O ZINC000594738095 396503683 /nfs/dbraw/zinc/50/36/83/396503683.db2.gz GVQLIMRVOZRZFO-HOTGVXAUSA-N 1 3 300.406 0.076 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000372025309 396483542 /nfs/dbraw/zinc/48/35/42/396483542.db2.gz HSQNTZACLPANNN-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000372025309 396483546 /nfs/dbraw/zinc/48/35/46/396483546.db2.gz HSQNTZACLPANNN-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000581378886 396550362 /nfs/dbraw/zinc/55/03/62/396550362.db2.gz WNUNASKREDSKRB-HIFRSBDPSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000581378886 396550364 /nfs/dbraw/zinc/55/03/64/396550364.db2.gz WNUNASKREDSKRB-HIFRSBDPSA-N 1 3 307.442 0.857 20 0 DCADHO CNC(=O)c1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000530642048 396580383 /nfs/dbraw/zinc/58/03/83/396580383.db2.gz JSOXFQAWBHQZAC-UHFFFAOYSA-N 1 3 320.437 0.612 20 0 DCADHO C[C@@H](NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000583625078 396611975 /nfs/dbraw/zinc/61/19/75/396611975.db2.gz DXJMOQZHFNEXQW-WBVHZDCISA-N 1 3 322.497 0.908 20 0 DCADHO CN1CCN(C(=O)NCC[NH2+]C2CCCCCC2)[C@H](CN)C1 ZINC000563799332 396780430 /nfs/dbraw/zinc/78/04/30/396780430.db2.gz SORQUIZHXMKAMZ-OAHLLOKOSA-N 1 3 311.474 0.583 20 0 DCADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563588030 396753744 /nfs/dbraw/zinc/75/37/44/396753744.db2.gz RAADQKPRNPKAIZ-ZSHCYNCHSA-N 1 3 315.421 0.815 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000629789240 396834076 /nfs/dbraw/zinc/83/40/76/396834076.db2.gz QHKNOPUIFVLJIV-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CCN1CC[C@H](N(C)C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H]1C ZINC000564800120 396870467 /nfs/dbraw/zinc/87/04/67/396870467.db2.gz CAAQKFMOVCEMML-KBPBESRZSA-N 1 3 322.457 0.962 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000629613979 396810012 /nfs/dbraw/zinc/81/00/12/396810012.db2.gz ULVCWTGZINGENP-QWRGUYRKSA-N 1 3 310.364 0.279 20 0 DCADHO [NH3+]C[C@H]1CCC[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000564825830 396874625 /nfs/dbraw/zinc/87/46/25/396874625.db2.gz LHEDCXVUKYXVSI-CVEARBPZSA-N 1 3 308.470 0.648 20 0 DCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000564825830 396874628 /nfs/dbraw/zinc/87/46/28/396874628.db2.gz LHEDCXVUKYXVSI-CVEARBPZSA-N 1 3 308.470 0.648 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CCC1 ZINC000629973046 396900857 /nfs/dbraw/zinc/90/08/57/396900857.db2.gz JQZXQEFLLKVSIG-HNNXBMFYSA-N 1 3 322.453 0.236 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1CCC1 ZINC000629973046 396900860 /nfs/dbraw/zinc/90/08/60/396900860.db2.gz JQZXQEFLLKVSIG-HNNXBMFYSA-N 1 3 322.453 0.236 20 0 DCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618307935 396954773 /nfs/dbraw/zinc/95/47/73/396954773.db2.gz ZQOBQECTAWQAFD-ZDUSSCGKSA-N 1 3 314.474 0.632 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000339572044 396960036 /nfs/dbraw/zinc/96/00/36/396960036.db2.gz AJCJFIKSWFTODP-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCC[C@H]1CC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625810801 397009802 /nfs/dbraw/zinc/00/98/02/397009802.db2.gz XJPRTYDJQODGEK-LBPRGKRZSA-N 1 3 306.414 0.498 20 0 DCADHO CC(C)N(C)C[C@H](C)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000572029368 397013678 /nfs/dbraw/zinc/01/36/78/397013678.db2.gz KVRSVQHNABUAEV-JONQDZQNSA-N 1 3 301.475 0.775 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000572534231 397069198 /nfs/dbraw/zinc/06/91/98/397069198.db2.gz SUVBUZIFXXYCSA-UHFFFAOYSA-N 1 3 312.458 0.422 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000349819694 397078295 /nfs/dbraw/zinc/07/82/95/397078295.db2.gz CPFPPRDKTGDOBY-UHFFFAOYSA-N 1 3 310.442 0.092 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000349819694 397078299 /nfs/dbraw/zinc/07/82/99/397078299.db2.gz CPFPPRDKTGDOBY-UHFFFAOYSA-N 1 3 310.442 0.092 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000612543384 397086343 /nfs/dbraw/zinc/08/63/43/397086343.db2.gz PRATXSLHSLZZQB-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000612543384 397086345 /nfs/dbraw/zinc/08/63/45/397086345.db2.gz PRATXSLHSLZZQB-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCC[C@@H]2CCC[NH2+]C2)N(C)C1 ZINC000572739113 397090774 /nfs/dbraw/zinc/09/07/74/397090774.db2.gz RVIYZIKBACEJTK-KKUMJFAQSA-N 1 3 312.458 0.737 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377773802 397139023 /nfs/dbraw/zinc/13/90/23/397139023.db2.gz JHRHSUOTSXGEMQ-DLBZAZTESA-N 1 3 322.497 0.718 20 0 DCADHO Cc1c(C(=O)N(C)CCN(C)C2CC2)nnn1C1CC[NH2+]CC1 ZINC000573246141 397148965 /nfs/dbraw/zinc/14/89/65/397148965.db2.gz WAHKHUTYIJWGAA-UHFFFAOYSA-N 1 3 320.441 0.677 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612878729 397155080 /nfs/dbraw/zinc/15/50/80/397155080.db2.gz MESOGNYATAFUQH-MRXNPFEDSA-N 1 3 312.458 0.927 20 0 DCADHO COC(=O)COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000592428346 397174011 /nfs/dbraw/zinc/17/40/11/397174011.db2.gz AJFIFROREYUUJO-UHFFFAOYSA-N 1 3 321.421 0.575 20 0 DCADHO CC[C@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1[NH3+] ZINC000592488283 397189979 /nfs/dbraw/zinc/18/99/79/397189979.db2.gz JDKJDTDWLBZJFF-VHSXEESVSA-N 1 3 324.347 0.824 20 0 DCADHO COC(=O)[C@@H]1CNCCCN1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000592487628 397190588 /nfs/dbraw/zinc/19/05/88/397190588.db2.gz WGPQAQDNVWUSHV-ZBFHGGJFSA-N 1 3 321.421 0.574 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000364461974 397205741 /nfs/dbraw/zinc/20/57/41/397205741.db2.gz BSFZEMAHOWWZKM-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CCO1 ZINC000592560475 397215564 /nfs/dbraw/zinc/21/55/64/397215564.db2.gz UYSMCNOILLFRSP-STQMWFEESA-N 1 3 321.425 0.122 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)C2)CC1 ZINC000574568784 397279394 /nfs/dbraw/zinc/27/93/94/397279394.db2.gz ADYCHVOVZJTCPI-OAGGEKHMSA-N 1 3 324.469 0.120 20 0 DCADHO CCN1CCC[C@H](NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592955668 397301066 /nfs/dbraw/zinc/30/10/66/397301066.db2.gz BXWFCHKBVJMCJX-OLZOCXBDSA-N 1 3 305.426 0.933 20 0 DCADHO COCCN(C)CCCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958042 397303167 /nfs/dbraw/zinc/30/31/67/397303167.db2.gz UNESGVIGKUOEKO-CYBMUJFWSA-N 1 3 323.441 0.417 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000577486798 397336259 /nfs/dbraw/zinc/33/62/59/397336259.db2.gz RAJWELYZCICAGB-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000577833747 397364314 /nfs/dbraw/zinc/36/43/14/397364314.db2.gz BJWDUWOXIIKJHG-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CCN(C2CCC2)C1 ZINC000577999374 397377736 /nfs/dbraw/zinc/37/77/36/397377736.db2.gz PZTMUVKZQQEXII-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419778411 397382832 /nfs/dbraw/zinc/38/28/32/397382832.db2.gz OSTOXNHFVYWEIE-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419779865 397383021 /nfs/dbraw/zinc/38/30/21/397383021.db2.gz PZCGWDGPPYEZCJ-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC[C@H](C)[NH3+])CC1=O ZINC000621704557 397419274 /nfs/dbraw/zinc/41/92/74/397419274.db2.gz ZVJFBYHYJCHMEU-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000578323856 397420001 /nfs/dbraw/zinc/42/00/01/397420001.db2.gz ZAJSZEDIHHIWAO-ZNMIVQPWSA-N 1 3 324.469 0.705 20 0 DCADHO [NH3+]CCC1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000578659196 397468752 /nfs/dbraw/zinc/46/87/52/397468752.db2.gz HFZZLCRKJQWTDW-UHFFFAOYSA-N 1 3 308.426 0.912 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000487947949 397480316 /nfs/dbraw/zinc/48/03/16/397480316.db2.gz LSPZSWIKQMZRHJ-YHUYYLMFSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000487947949 397480320 /nfs/dbraw/zinc/48/03/20/397480320.db2.gz LSPZSWIKQMZRHJ-YHUYYLMFSA-N 1 3 309.454 0.896 20 0 DCADHO CCOC(=O)[C@@](C)(O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845945 397500563 /nfs/dbraw/zinc/50/05/63/397500563.db2.gz NQGNKBWFWMIZEE-INIZCTEOSA-N 1 3 307.394 0.908 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](O)C3)CC2)CC1 ZINC000579387760 397562312 /nfs/dbraw/zinc/56/23/12/397562312.db2.gz JXPVMTADNLSUEU-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000579120769 397526158 /nfs/dbraw/zinc/52/61/58/397526158.db2.gz PWIHMUUOYXZOAI-QGZVFWFLSA-N 1 3 316.449 0.627 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000603782761 397620698 /nfs/dbraw/zinc/62/06/98/397620698.db2.gz IFDGEVHPSSUEIT-HOTGVXAUSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000603782761 397620704 /nfs/dbraw/zinc/62/07/04/397620704.db2.gz IFDGEVHPSSUEIT-HOTGVXAUSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000603782761 397620708 /nfs/dbraw/zinc/62/07/08/397620708.db2.gz IFDGEVHPSSUEIT-HOTGVXAUSA-N 1 3 308.470 0.708 20 0 DCADHO C[C@H](NC(=O)NCC1(O)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000607246953 397699703 /nfs/dbraw/zinc/69/97/03/397699703.db2.gz XILAJVQKQPSFBD-ZDUSSCGKSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@@H](CC(=O)NCCCN1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000165003572 158363927 /nfs/dbraw/zinc/36/39/27/158363927.db2.gz AVWHRPCNHQZKQZ-GJZGRUSLSA-N 1 3 311.470 0.975 20 0 DCADHO COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1O ZINC000261854745 158746916 /nfs/dbraw/zinc/74/69/16/158746916.db2.gz FCGOFPWLEMFRKK-CYBMUJFWSA-N 1 3 307.394 0.688 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000316702261 159002912 /nfs/dbraw/zinc/00/29/12/159002912.db2.gz IWNCTTMCIUZULK-PMPSAXMXSA-N 1 3 303.406 0.536 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000316702261 159002913 /nfs/dbraw/zinc/00/29/13/159002913.db2.gz IWNCTTMCIUZULK-PMPSAXMXSA-N 1 3 303.406 0.536 20 0 DCADHO CN1CCN(CCCNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000316971315 159003891 /nfs/dbraw/zinc/00/38/91/159003891.db2.gz GCRMPMKKYYVZPR-UHFFFAOYSA-N 1 3 302.422 0.657 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[NH+]1CCCCCC1 ZINC000352014243 159245310 /nfs/dbraw/zinc/24/53/10/159245310.db2.gz MLHJIVVABPJFEX-OAHLLOKOSA-N 1 3 312.458 0.468 20 0 DCADHO CN1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000367647836 159348780 /nfs/dbraw/zinc/34/87/80/159348780.db2.gz CPWNWKNXZFBKMI-DOTOQJQBSA-N 1 3 308.470 0.520 20 0 DCADHO CN(CCN1C[C@H]2CC[C@@H](C1)O2)CC[N@H+](C)C1CCN(C)CC1 ZINC000367752889 159354075 /nfs/dbraw/zinc/35/40/75/159354075.db2.gz INHFMJDDSYTCLS-HDICACEKSA-N 1 3 324.513 0.807 20 0 DCADHO CN(CCN1C[C@H]2CC[C@@H](C1)O2)CC[N@@H+](C)C1CCN(C)CC1 ZINC000367752889 159354078 /nfs/dbraw/zinc/35/40/78/159354078.db2.gz INHFMJDDSYTCLS-HDICACEKSA-N 1 3 324.513 0.807 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN(C)C)[C@@H](C)C1 ZINC000245639666 287071414 /nfs/dbraw/zinc/07/14/14/287071414.db2.gz ADPOXNWGMLIWFC-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN(C)C)[C@@H](C)C1 ZINC000245639666 287071416 /nfs/dbraw/zinc/07/14/16/287071416.db2.gz ADPOXNWGMLIWFC-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248913092 287103485 /nfs/dbraw/zinc/10/34/85/287103485.db2.gz CLAIWTNJFQKISN-HUUCEWRRSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248913092 287103486 /nfs/dbraw/zinc/10/34/86/287103486.db2.gz CLAIWTNJFQKISN-HUUCEWRRSA-N 1 3 314.474 0.720 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)C[NH2+]C)CC1=O ZINC000252656513 287120829 /nfs/dbraw/zinc/12/08/29/287120829.db2.gz HQJSMBLLXKISRP-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(CC[NH3+])CCO)N(C)C ZINC000418179748 287241100 /nfs/dbraw/zinc/24/11/00/287241100.db2.gz JTLQRKZGBWSCCH-GOEBONIOSA-N 1 3 322.453 0.949 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418398985 287248157 /nfs/dbraw/zinc/24/81/57/287248157.db2.gz WVSVNOVCNCWVGT-KBPBESRZSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N(C)Cc1ccccc1 ZINC000418941438 287254226 /nfs/dbraw/zinc/25/42/26/287254226.db2.gz HWWJFMQUMFAKCC-ZDUSSCGKSA-N 1 3 320.437 0.477 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])N(C)Cc1ccccc1 ZINC000418946562 287256458 /nfs/dbraw/zinc/25/64/58/287256458.db2.gz NDFUKJRLYBLWTR-ZDUSSCGKSA-N 1 3 306.410 0.040 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@H]1CN ZINC000418992563 287259225 /nfs/dbraw/zinc/25/92/25/287259225.db2.gz GHBHPAUTAMULFY-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCC[NH3+] ZINC000419020848 287261411 /nfs/dbraw/zinc/26/14/11/287261411.db2.gz GFBJKQXWUOCSIJ-HZSPNIEDSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419024466 287263325 /nfs/dbraw/zinc/26/33/25/287263325.db2.gz KWPXUKMUUWSDHT-BARDWOONSA-N 1 3 324.469 0.276 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419149606 287269550 /nfs/dbraw/zinc/26/95/50/287269550.db2.gz FIILNUCJYBIYGH-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CCCCNC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340697 287292343 /nfs/dbraw/zinc/29/23/43/287292343.db2.gz NJJDBIBNPUUVCE-KGLIPLIRSA-N 1 3 310.442 0.934 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331588652 415142152 /nfs/dbraw/zinc/14/21/52/415142152.db2.gz XZUWIYYQIMEPRK-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331588652 415142158 /nfs/dbraw/zinc/14/21/58/415142158.db2.gz XZUWIYYQIMEPRK-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000331605485 415148521 /nfs/dbraw/zinc/14/85/21/415148521.db2.gz IALIYAQXBKACLR-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000331608814 415149080 /nfs/dbraw/zinc/14/90/80/415149080.db2.gz OUCXJGYQWYSTFM-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000331608814 415149087 /nfs/dbraw/zinc/14/90/87/415149087.db2.gz OUCXJGYQWYSTFM-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CN)CC[C@@H]21 ZINC000332582118 415418650 /nfs/dbraw/zinc/41/86/50/415418650.db2.gz GRZBBZSJOTZOJF-KFWWJZLASA-N 1 3 322.453 0.269 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CN)CC[C@@H]21 ZINC000332582118 415418657 /nfs/dbraw/zinc/41/86/57/415418657.db2.gz GRZBBZSJOTZOJF-KFWWJZLASA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000343134538 415467298 /nfs/dbraw/zinc/46/72/98/415467298.db2.gz CZQWRSCTUOVVHK-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000343134538 415467308 /nfs/dbraw/zinc/46/73/08/415467308.db2.gz CZQWRSCTUOVVHK-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000343285011 415532899 /nfs/dbraw/zinc/53/28/99/415532899.db2.gz IRHBIZSVLUKAHP-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210742 415612821 /nfs/dbraw/zinc/61/28/21/415612821.db2.gz FLOHGORBTPRXJR-ZDUSSCGKSA-N 1 3 314.474 0.489 20 0 DCADHO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@H]1CCC[NH2+]C1 ZINC000333368048 415627197 /nfs/dbraw/zinc/62/71/97/415627197.db2.gz FBMFPPMFBHWZLJ-NZBPQXDJSA-N 1 3 320.441 0.244 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2nncn2c1 ZINC000104533919 415628117 /nfs/dbraw/zinc/62/81/17/415628117.db2.gz JNXCPPRYMVDLPG-UHFFFAOYSA-N 1 3 304.398 0.295 20 0 DCADHO COCC1(CNC(=O)N2CCN3CCC[C@@H]3C2)CC[NH2+]CC1 ZINC000333494143 415666637 /nfs/dbraw/zinc/66/66/37/415666637.db2.gz DQMYUJZZGXUJPI-CQSZACIVSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C(C)(C)CN(C)C ZINC000343765579 415716955 /nfs/dbraw/zinc/71/69/55/415716955.db2.gz CJWMBQNTKGNGNS-FUDCBSFHSA-N 1 3 309.454 0.894 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000343821360 415742475 /nfs/dbraw/zinc/74/24/75/415742475.db2.gz FTCLCVKHLAGJOR-HOCLYGCPSA-N 1 3 308.470 0.613 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000343821360 415742483 /nfs/dbraw/zinc/74/24/83/415742483.db2.gz FTCLCVKHLAGJOR-HOCLYGCPSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)CN1 ZINC000333834834 415749869 /nfs/dbraw/zinc/74/98/69/415749869.db2.gz UDPYMNNSHMYHJO-KGLIPLIRSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)CN1 ZINC000333834834 415749873 /nfs/dbraw/zinc/74/98/73/415749873.db2.gz UDPYMNNSHMYHJO-KGLIPLIRSA-N 1 3 311.474 0.404 20 0 DCADHO CC(C)CN(CC[NH+](C)C)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336838155 415829974 /nfs/dbraw/zinc/82/99/74/415829974.db2.gz GRZUOWZHRPUGMA-CQSZACIVSA-N 1 3 300.447 0.132 20 0 DCADHO CC(C)C[C@H](CNC(=O)CNC(=O)[C@H](N)C(C)C)[NH+](C)C ZINC000336842819 415833899 /nfs/dbraw/zinc/83/38/99/415833899.db2.gz UDRKGYRHQSECHV-TZMCWYRMSA-N 1 3 300.447 0.178 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343977646 415807001 /nfs/dbraw/zinc/80/70/01/415807001.db2.gz JWXGPPJQVNMGKS-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343977646 415807005 /nfs/dbraw/zinc/80/70/05/415807005.db2.gz JWXGPPJQVNMGKS-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CCCN(C)CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000356458139 415925347 /nfs/dbraw/zinc/92/53/47/415925347.db2.gz LSYSMOTUJBSVMG-UHFFFAOYSA-N 1 3 308.426 0.980 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)N(C)C)CC1=O ZINC000356523268 415940804 /nfs/dbraw/zinc/94/08/04/415940804.db2.gz MIXLRYNBMDOQCG-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)N(C)C)CC1=O ZINC000356523268 415940808 /nfs/dbraw/zinc/94/08/08/415940808.db2.gz MIXLRYNBMDOQCG-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO Cn1nccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000133130833 415941241 /nfs/dbraw/zinc/94/12/41/415941241.db2.gz ZWGCNVXUVACPLM-UHFFFAOYSA-N 1 3 305.426 0.709 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N(C)C ZINC000345093664 416042378 /nfs/dbraw/zinc/04/23/78/416042378.db2.gz UQHIKSDPPVFSHV-OAGGEKHMSA-N 1 3 310.486 0.811 20 0 DCADHO NC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1 ZINC000357247061 416053468 /nfs/dbraw/zinc/05/34/68/416053468.db2.gz YYSNWJSYBPOSRD-LLVKDONJSA-N 1 3 322.375 0.600 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000173397520 416057222 /nfs/dbraw/zinc/05/72/22/416057222.db2.gz BECKYJYVDOXBGC-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000173397520 416057228 /nfs/dbraw/zinc/05/72/28/416057228.db2.gz BECKYJYVDOXBGC-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000166456395 416021932 /nfs/dbraw/zinc/02/19/32/416021932.db2.gz NHTBSXYGFBGQCP-OAHLLOKOSA-N 1 3 318.421 0.204 20 0 DCADHO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOCC[NH3+] ZINC000357031615 416023086 /nfs/dbraw/zinc/02/30/86/416023086.db2.gz QPNBHZJHOOFWIA-NSHDSACASA-N 1 3 301.412 0.302 20 0 DCADHO CCN1CCN(CCC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000338000824 416033288 /nfs/dbraw/zinc/03/32/88/416033288.db2.gz ITVRAXOARUHPHF-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000338000824 416033291 /nfs/dbraw/zinc/03/32/91/416033291.db2.gz ITVRAXOARUHPHF-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCCCC1 ZINC000345743420 416144371 /nfs/dbraw/zinc/14/43/71/416144371.db2.gz BNCFLBJNONZYII-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000357927377 416154387 /nfs/dbraw/zinc/15/43/87/416154387.db2.gz QUMHKDAHWAVAEZ-UONOGXRCSA-N 1 3 320.393 0.238 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000340202438 416180487 /nfs/dbraw/zinc/18/04/87/416180487.db2.gz IXTGHZOWXPFPSS-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000341655746 416219713 /nfs/dbraw/zinc/21/97/13/416219713.db2.gz VFIBACGKSDXLOX-HIFRSBDPSA-N 1 3 312.458 0.737 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000341655746 416219718 /nfs/dbraw/zinc/21/97/18/416219718.db2.gz VFIBACGKSDXLOX-HIFRSBDPSA-N 1 3 312.458 0.737 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000357950747 416157882 /nfs/dbraw/zinc/15/78/82/416157882.db2.gz AKHINBRFZUPJIB-UONOGXRCSA-N 1 3 300.447 0.735 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000357950747 416157886 /nfs/dbraw/zinc/15/78/86/416157886.db2.gz AKHINBRFZUPJIB-UONOGXRCSA-N 1 3 300.447 0.735 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000358703641 416271210 /nfs/dbraw/zinc/27/12/10/416271210.db2.gz HFUQWCIHABQNDJ-INIZCTEOSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)C(C)(C)C[NH+](C)C ZINC000358712546 416272618 /nfs/dbraw/zinc/27/26/18/416272618.db2.gz VJKLEPXIHQBLQX-WFASDCNBSA-N 1 3 300.447 0.329 20 0 DCADHO COCCN(C)CCCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000262348257 416336851 /nfs/dbraw/zinc/33/68/51/416336851.db2.gz IEIQSEQEFTXSFT-UHFFFAOYSA-N 1 3 301.431 0.087 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419844094 416413980 /nfs/dbraw/zinc/41/39/80/416413980.db2.gz KSXXSSWNYVEBSV-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419892930 416414789 /nfs/dbraw/zinc/41/47/89/416414789.db2.gz PCXLCZMMAXQPDS-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000416817359 416377669 /nfs/dbraw/zinc/37/76/69/416377669.db2.gz YHIYJCJZVCNZJP-HUUCEWRRSA-N 1 3 306.410 0.577 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418118836 416385290 /nfs/dbraw/zinc/38/52/90/416385290.db2.gz UKVRKHFJAAELMB-UONOGXRCSA-N 1 3 300.447 0.770 20 0 DCADHO C[C@@H]1CN(CCC2CCN(C(=O)NCC[NH3+])CC2)C[C@H](C)O1 ZINC000418305533 416386043 /nfs/dbraw/zinc/38/60/43/416386043.db2.gz OMUUIZAPVDXFMJ-OKILXGFUSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@H]1CN(CC2CCN(C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000418307566 416386097 /nfs/dbraw/zinc/38/60/97/416386097.db2.gz DMKQHENHJSXWOY-KBPBESRZSA-N 1 3 312.458 0.866 20 0 DCADHO COC[C@]1(CNC(=O)NCc2ccc3c(c2)CNC3)CCC[NH2+]1 ZINC000418552446 416387533 /nfs/dbraw/zinc/38/75/33/416387533.db2.gz KXFLOGRJQVOIAW-QGZVFWFLSA-N 1 3 318.421 0.858 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419117426 416396871 /nfs/dbraw/zinc/39/68/71/416396871.db2.gz HEBGGBZRHDFVCL-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1CCC(C)CC1 ZINC000419142977 416397468 /nfs/dbraw/zinc/39/74/68/416397468.db2.gz DDOZYXIABPIYLO-OCCSQVGLSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419415084 416401153 /nfs/dbraw/zinc/40/11/53/416401153.db2.gz UQGLWXJSVMNCTA-HUUCEWRRSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000419415627 416401285 /nfs/dbraw/zinc/40/12/85/416401285.db2.gz VMJASIIFVQMJIO-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)C1CC1 ZINC000419525655 416403576 /nfs/dbraw/zinc/40/35/76/416403576.db2.gz SAFZJDLAFGBSHV-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)[NH+]1CCCCC1 ZINC000419716697 416405044 /nfs/dbraw/zinc/40/50/44/416405044.db2.gz RRJPYMPVZPCJLW-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCCC[C@H]1CN)C(C)C ZINC000419796690 416412607 /nfs/dbraw/zinc/41/26/07/416412607.db2.gz PKFBVKDSJWYDJF-AWEZNQCLSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419803104 416412916 /nfs/dbraw/zinc/41/29/16/416412916.db2.gz MPPVNQTXUMIMJW-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423066600 416465992 /nfs/dbraw/zinc/46/59/92/416465992.db2.gz XKTKYRILTZFXPP-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423151326 416469936 /nfs/dbraw/zinc/46/99/36/416469936.db2.gz JVAKKIZYOGADFJ-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@@H]2COC[C@H]2OCC)CC[NH2+]CC1 ZINC000423151793 416471460 /nfs/dbraw/zinc/47/14/60/416471460.db2.gz DYYKQVWZERQIQJ-MGPQQGTHSA-N 1 3 314.426 0.701 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423173261 416472516 /nfs/dbraw/zinc/47/25/16/416472516.db2.gz XRWMWFXFRYKGFW-GJZGRUSLSA-N 1 3 322.453 0.413 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423221028 416477175 /nfs/dbraw/zinc/47/71/75/416477175.db2.gz ZCHKDTJYAAOXHN-AWEZNQCLSA-N 1 3 310.442 0.128 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000423243438 416481526 /nfs/dbraw/zinc/48/15/26/416481526.db2.gz WMFAWFXTXFXELO-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CN(CCN1CCCOCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000361328523 416429771 /nfs/dbraw/zinc/42/97/71/416429771.db2.gz MYDHTEQSBJELEA-UHFFFAOYSA-N 1 3 312.502 0.667 20 0 DCADHO CN(CCN1CCCOCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000361328523 416429772 /nfs/dbraw/zinc/42/97/72/416429772.db2.gz MYDHTEQSBJELEA-UHFFFAOYSA-N 1 3 312.502 0.667 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422419867 416430190 /nfs/dbraw/zinc/43/01/90/416430190.db2.gz AHUSFHWFLCBGPF-VHDGCEQUSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422419867 416430192 /nfs/dbraw/zinc/43/01/92/416430192.db2.gz AHUSFHWFLCBGPF-VHDGCEQUSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361569610 416453331 /nfs/dbraw/zinc/45/33/31/416453331.db2.gz ZGPZQZOUJDKBRX-MRXNPFEDSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423760618 416561699 /nfs/dbraw/zinc/56/16/99/416561699.db2.gz QKXHEJXEHODURI-CVEARBPZSA-N 1 3 310.486 0.990 20 0 DCADHO CC1CCN(CC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423615984 416529562 /nfs/dbraw/zinc/52/95/62/416529562.db2.gz RONDBTKGTDNNKO-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN(C(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000423669467 416536917 /nfs/dbraw/zinc/53/69/17/416536917.db2.gz YCCOWOXPSGETLG-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423360380 416496437 /nfs/dbraw/zinc/49/64/37/416496437.db2.gz LIMZZQRMOGWKLC-CYBMUJFWSA-N 1 3 322.457 0.867 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423516201 416519458 /nfs/dbraw/zinc/51/94/58/416519458.db2.gz GJOPVIHSYWAYTK-AEGPPILISA-N 1 3 322.453 0.125 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000541720156 416609899 /nfs/dbraw/zinc/60/98/99/416609899.db2.gz KKUDMNQZSYABRO-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000541720156 416609903 /nfs/dbraw/zinc/60/99/03/416609903.db2.gz KKUDMNQZSYABRO-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000424157800 416620606 /nfs/dbraw/zinc/62/06/06/416620606.db2.gz RMVLFEZVIPAYOO-DLBZAZTESA-N 1 3 316.449 0.658 20 0 DCADHO CN1CCN(CC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000543609623 416643081 /nfs/dbraw/zinc/64/30/81/416643081.db2.gz PDWDORDSMXUTRL-MRXNPFEDSA-N 1 3 322.497 0.814 20 0 DCADHO CN1CCN(CC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000543609623 416643084 /nfs/dbraw/zinc/64/30/84/416643084.db2.gz PDWDORDSMXUTRL-MRXNPFEDSA-N 1 3 322.497 0.814 20 0 DCADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)[C@@H]2C1 ZINC000425386799 416696887 /nfs/dbraw/zinc/69/68/87/416696887.db2.gz MIOXQPIDUGMICY-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CCNC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368827420 416697234 /nfs/dbraw/zinc/69/72/34/416697234.db2.gz WDMQGUADJUIECR-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614848721 416712612 /nfs/dbraw/zinc/71/26/12/416712612.db2.gz SNJXVBLWAWEVSD-IRXDYDNUSA-N 1 3 319.449 0.905 20 0 DCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000442800383 416714173 /nfs/dbraw/zinc/71/41/73/416714173.db2.gz ZYTHOVMMTCJEGJ-RDBSUJKOSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000614854252 416714647 /nfs/dbraw/zinc/71/46/47/416714647.db2.gz LYPFSEZERGMANT-INIZCTEOSA-N 1 3 314.389 0.899 20 0 DCADHO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H](CC[NH3+])C1 ZINC000443064319 416729336 /nfs/dbraw/zinc/72/93/36/416729336.db2.gz XXSKDNUWWDQQFM-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](NS(=O)(=O)CCCN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000631902804 416784742 /nfs/dbraw/zinc/78/47/42/416784742.db2.gz RCXOOISIMKDECZ-ZIAGYGMSSA-N 1 3 303.472 0.780 20 0 DCADHO C[NH+](C)CCCS(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000631923167 416803351 /nfs/dbraw/zinc/80/33/51/416803351.db2.gz OMFKALVCUKAIOZ-AWEZNQCLSA-N 1 3 303.472 0.828 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000559386668 416812452 /nfs/dbraw/zinc/81/24/52/416812452.db2.gz APGLXTZPQZEDLE-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631938471 416819267 /nfs/dbraw/zinc/81/92/67/416819267.db2.gz FCADXFSSCHDZTQ-UONOGXRCSA-N 1 3 301.456 0.486 20 0 DCADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000615610700 416871561 /nfs/dbraw/zinc/87/15/61/416871561.db2.gz ZZORUXAHGKVSJA-WBVHZDCISA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000615610700 416871566 /nfs/dbraw/zinc/87/15/66/416871566.db2.gz ZZORUXAHGKVSJA-WBVHZDCISA-N 1 3 306.454 0.321 20 0 DCADHO C[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000641506418 416889170 /nfs/dbraw/zinc/88/91/70/416889170.db2.gz UEWBPXCVNCSPQF-NUEKZKHPSA-N 1 3 320.437 0.516 20 0 DCADHO CN(C)C1CN(c2nc(C3CC3)cc(N3CC([NH+](C)C)C3)n2)C1 ZINC000428357567 416889782 /nfs/dbraw/zinc/88/97/82/416889782.db2.gz ZLZLLDQJISAUBE-UHFFFAOYSA-N 1 3 316.453 0.854 20 0 DCADHO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)CCCN1CCCC1)C2 ZINC000631953192 416829323 /nfs/dbraw/zinc/82/93/23/416829323.db2.gz FAOXFMXVUMTYMU-ZIAGYGMSSA-N 1 3 301.456 0.615 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000641413409 416839236 /nfs/dbraw/zinc/83/92/36/416839236.db2.gz HHUHYRNTFBUAGX-BBRMVZONSA-N 1 3 306.410 0.270 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2CCCN2C)CC1 ZINC000520986692 416984588 /nfs/dbraw/zinc/98/45/88/416984588.db2.gz ALZXHLMPOCPANV-CABCVRRESA-N 1 3 312.458 0.473 20 0 DCADHO C[NH+](C)CCOc1cnccc1CNCC1(O)CCOCC1 ZINC000521032332 416987616 /nfs/dbraw/zinc/98/76/16/416987616.db2.gz FMFOTMWWICFQSE-UHFFFAOYSA-N 1 3 309.410 0.653 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[C@H]1[NH3+] ZINC000642785987 417101423 /nfs/dbraw/zinc/10/14/23/417101423.db2.gz WBRLSEDFXGXADF-QLFBSQMISA-N 1 3 322.453 0.173 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000642785853 417101855 /nfs/dbraw/zinc/10/18/55/417101855.db2.gz NWDITAUNYWBYNE-CQSZACIVSA-N 1 3 322.453 0.365 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(CCn2cccn2)CC1 ZINC000522138154 417050891 /nfs/dbraw/zinc/05/08/91/417050891.db2.gz HALRDHJMNQLPAJ-HNNXBMFYSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(CCn2cccn2)CC1 ZINC000522138154 417050895 /nfs/dbraw/zinc/05/08/95/417050895.db2.gz HALRDHJMNQLPAJ-HNNXBMFYSA-N 1 3 319.453 0.758 20 0 DCADHO Cc1c(C(=O)N2CCC[C@@H](N(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000430885163 417074815 /nfs/dbraw/zinc/07/48/15/417074815.db2.gz ZYKXYAIBIVOCHK-CQSZACIVSA-N 1 3 320.441 0.677 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000430876566 417075989 /nfs/dbraw/zinc/07/59/89/417075989.db2.gz RHFXSPHMPPZJBA-XJKSGUPXSA-N 1 3 310.442 0.045 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642712996 417077882 /nfs/dbraw/zinc/07/78/82/417077882.db2.gz AWHUACGRVBXIJZ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000642724571 417079420 /nfs/dbraw/zinc/07/94/20/417079420.db2.gz YOANLDNNHUVOJH-TZMCWYRMSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000430968202 417089730 /nfs/dbraw/zinc/08/97/30/417089730.db2.gz VWPQCDRQEKIOFP-FZMZJTMJSA-N 1 3 304.394 0.783 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000642801251 417103639 /nfs/dbraw/zinc/10/36/39/417103639.db2.gz QXFLJZSIJASHBB-INIZCTEOSA-N 1 3 310.442 0.047 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642773424 417094943 /nfs/dbraw/zinc/09/49/43/417094943.db2.gz XKEVXMLIPZUJEA-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC[NH3+])C1 ZINC000642892604 417110625 /nfs/dbraw/zinc/11/06/25/417110625.db2.gz WEOYJWGMWHERGI-HNNXBMFYSA-N 1 3 318.421 0.184 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642904242 417114074 /nfs/dbraw/zinc/11/40/74/417114074.db2.gz SVAGRWYFOHSVOV-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000642906545 417116571 /nfs/dbraw/zinc/11/65/71/417116571.db2.gz RBSZMZKFCIIVHA-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642906607 417117247 /nfs/dbraw/zinc/11/72/47/417117247.db2.gz WLALSMQIPSHTFP-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000642911627 417121463 /nfs/dbraw/zinc/12/14/63/417121463.db2.gz KRFOVZHCVLBDHE-ILXRZTDVSA-N 1 3 322.453 0.459 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000637746294 417172971 /nfs/dbraw/zinc/17/29/71/417172971.db2.gz QJXAJDNQXDLOFY-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C(C)[C@H]1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000449804834 417176753 /nfs/dbraw/zinc/17/67/53/417176753.db2.gz TZSURANPESSQAJ-HBJVGIJOSA-N 1 3 312.458 0.001 20 0 DCADHO CCN1CCC[C@H](NC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000626945964 417182451 /nfs/dbraw/zinc/18/24/51/417182451.db2.gz JWOQGDRFDDTLDX-JSGCOSHPSA-N 1 3 321.429 0.096 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000643398186 417189453 /nfs/dbraw/zinc/18/94/53/417189453.db2.gz DAFYZBUWHDXXFP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856986 417210998 /nfs/dbraw/zinc/21/09/98/417210998.db2.gz RQRKSDLVMDIJOD-HOTGVXAUSA-N 1 3 307.438 0.840 20 0 DCADHO CN(C)C1(CNC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCC1 ZINC000627018377 417211600 /nfs/dbraw/zinc/21/16/00/417211600.db2.gz UWOVNDQDIXCVRQ-CYBMUJFWSA-N 1 3 321.429 0.096 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC[C@H]1[NH3+] ZINC000643505767 417230616 /nfs/dbraw/zinc/23/06/16/417230616.db2.gz IOJGBZUKOLEFEM-MGPQQGTHSA-N 1 3 310.442 0.125 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000643500347 417228441 /nfs/dbraw/zinc/22/84/41/417228441.db2.gz HXSAIZVQUCHJOU-KKUMJFAQSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCN(C)C)CCCO1 ZINC000433451291 417273004 /nfs/dbraw/zinc/27/30/04/417273004.db2.gz BPBAUQQHRHSOSQ-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCN(C)C)CCCO1 ZINC000433451291 417273009 /nfs/dbraw/zinc/27/30/09/417273009.db2.gz BPBAUQQHRHSOSQ-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433610910 417279341 /nfs/dbraw/zinc/27/93/41/417279341.db2.gz WSJLGRZPPVFIES-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433610910 417279351 /nfs/dbraw/zinc/27/93/51/417279351.db2.gz WSJLGRZPPVFIES-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H](N)CC ZINC000569245083 417233095 /nfs/dbraw/zinc/23/30/95/417233095.db2.gz AIXAQLDKOXCHJO-ZIAGYGMSSA-N 1 3 313.442 0.990 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H](N)CC ZINC000569245083 417233102 /nfs/dbraw/zinc/23/31/02/417233102.db2.gz AIXAQLDKOXCHJO-ZIAGYGMSSA-N 1 3 313.442 0.990 20 0 DCADHO CCCN1CC[C@@H](NC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000627117072 417237689 /nfs/dbraw/zinc/23/76/89/417237689.db2.gz PXUDCEOFFZKGSL-OCCSQVGLSA-N 1 3 321.429 0.096 20 0 DCADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000643571247 417247069 /nfs/dbraw/zinc/24/70/69/417247069.db2.gz ZWYBWMVEXAVRIA-HUUCEWRRSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)[C@H]1C[NH3+] ZINC000643593272 417251045 /nfs/dbraw/zinc/25/10/45/417251045.db2.gz WBYSUUZSYZDFPA-ILXRZTDVSA-N 1 3 322.453 0.269 20 0 DCADHO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)NCCN)cc1 ZINC000415269369 417349192 /nfs/dbraw/zinc/34/91/92/417349192.db2.gz LHQCYNLDAHQMIV-UHFFFAOYSA-N 1 3 322.409 0.421 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000638145244 417351311 /nfs/dbraw/zinc/35/13/11/417351311.db2.gz KEDYIQBSITZKOG-KBPBESRZSA-N 1 3 301.431 0.167 20 0 DCADHO [NH3+]CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415277907 417353310 /nfs/dbraw/zinc/35/33/10/417353310.db2.gz ZAEONSFATNQRNV-UHFFFAOYSA-N 1 3 304.394 0.686 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)C2 ZINC000570451660 417355010 /nfs/dbraw/zinc/35/50/10/417355010.db2.gz QVJUAXUTKPAJNK-ZFWWWQNUSA-N 1 3 322.453 0.086 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@H](NC[C@H](O)C[N@H+](C)C1CC1)C2 ZINC000570451660 417355017 /nfs/dbraw/zinc/35/50/17/417355017.db2.gz QVJUAXUTKPAJNK-ZFWWWQNUSA-N 1 3 322.453 0.086 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638157873 417358482 /nfs/dbraw/zinc/35/84/82/417358482.db2.gz GGHFDHRPCHDDNR-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638157873 417358489 /nfs/dbraw/zinc/35/84/89/417358489.db2.gz GGHFDHRPCHDDNR-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@H]1N1CCN(C)CC1 ZINC000627249787 417300958 /nfs/dbraw/zinc/30/09/58/417300958.db2.gz FNORJILLPZWPAH-RBSFLKMASA-N 1 3 309.458 0.016 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414797997 417303143 /nfs/dbraw/zinc/30/31/43/417303143.db2.gz XDIGBNDJHDDUPM-GFCCVEGCSA-N 1 3 318.421 0.727 20 0 DCADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638085433 417319661 /nfs/dbraw/zinc/31/96/61/417319661.db2.gz ZDJPFYDNIHCQPU-RDJZCZTQSA-N 1 3 316.449 0.843 20 0 DCADHO CCOC(=O)COc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000415136192 417331441 /nfs/dbraw/zinc/33/14/41/417331441.db2.gz CCLZYLFHCHHRAR-UHFFFAOYSA-N 1 3 322.405 0.914 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297988 417338405 /nfs/dbraw/zinc/33/84/05/417338405.db2.gz YIRUCIGKPLUULJ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297988 417338413 /nfs/dbraw/zinc/33/84/13/417338413.db2.gz YIRUCIGKPLUULJ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000570798158 417392716 /nfs/dbraw/zinc/39/27/16/417392716.db2.gz QMYSKFWSFXZJAB-LSDHHAIUSA-N 1 3 309.454 0.585 20 0 DCADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638257112 417395261 /nfs/dbraw/zinc/39/52/61/417395261.db2.gz SWHPYTZLOFTLMM-QWRGUYRKSA-N 1 3 319.409 0.769 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638332724 417424662 /nfs/dbraw/zinc/42/46/62/417424662.db2.gz QVJAZPFXFREXNE-CVEARBPZSA-N 1 3 304.438 0.641 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000633117118 417371527 /nfs/dbraw/zinc/37/15/27/417371527.db2.gz ZMXSVDPCEFBRNJ-RDBSUJKOSA-N 1 3 308.426 0.021 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638203394 417374298 /nfs/dbraw/zinc/37/42/98/417374298.db2.gz MHSMXDIBGWYABV-VNQPRFMTSA-N 1 3 304.438 0.560 20 0 DCADHO CN(C)[C@]1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CCSC1 ZINC000571184335 417433788 /nfs/dbraw/zinc/43/37/88/417433788.db2.gz QEQLBJVISCMFHF-JSGCOSHPSA-N 1 3 300.472 0.723 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC[N@@H+]1C ZINC000638365464 417436403 /nfs/dbraw/zinc/43/64/03/417436403.db2.gz DLJLYCNQCVMPAW-BYNSBNAKSA-N 1 3 305.426 0.404 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC[N@H+]1C ZINC000638365464 417436408 /nfs/dbraw/zinc/43/64/08/417436408.db2.gz DLJLYCNQCVMPAW-BYNSBNAKSA-N 1 3 305.426 0.404 20 0 DCADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1CCCN(CCCO)C1 ZINC000529349930 417445318 /nfs/dbraw/zinc/44/53/18/417445318.db2.gz IPMMREUKPRRFRD-KBPBESRZSA-N 1 3 310.442 0.417 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638512101 417479107 /nfs/dbraw/zinc/47/91/07/417479107.db2.gz ILMKJBFMJJLJTK-JKSUJKDBSA-N 1 3 316.449 0.847 20 0 DCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000638674346 417531699 /nfs/dbraw/zinc/53/16/99/417531699.db2.gz UKKYCSOJHDZVOQ-CJNGLKHVSA-N 1 3 305.378 0.874 20 0 DCADHO CC(CO)(CO)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720703 417536190 /nfs/dbraw/zinc/53/61/90/417536190.db2.gz OAANZFWKJFUDCQ-KRWDZBQOSA-N 1 3 308.422 0.204 20 0 DCADHO CC(CO)(CO)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720703 417536192 /nfs/dbraw/zinc/53/61/92/417536192.db2.gz OAANZFWKJFUDCQ-KRWDZBQOSA-N 1 3 308.422 0.204 20 0 DCADHO O=S1(=O)CCC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000635009043 417554498 /nfs/dbraw/zinc/55/44/98/417554498.db2.gz LTFUMISLPBKWSN-GFCCVEGCSA-N 1 3 310.423 0.480 20 0 DCADHO CCS(=O)(=O)C[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007151 417555620 /nfs/dbraw/zinc/55/56/20/417555620.db2.gz FCMQJMFWXPCMMK-LBPRGKRZSA-N 1 3 312.439 0.726 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)N(C)CCOCC[NH2+]C)C1(C)C ZINC000638593034 417500177 /nfs/dbraw/zinc/50/01/77/417500177.db2.gz ZONOLBHLFIMQOL-SWLSCSKDSA-N 1 3 301.431 0.213 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)C[C@H]3CNCCO3)cn2)CC1 ZINC000638977848 417594648 /nfs/dbraw/zinc/59/46/48/417594648.db2.gz QKYIEHMUKQHDIZ-AWEZNQCLSA-N 1 3 307.398 0.467 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638985625 417597531 /nfs/dbraw/zinc/59/75/31/417597531.db2.gz MLWDWXSWSVDWHV-CABCVRRESA-N 1 3 315.421 0.960 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000576450589 417610413 /nfs/dbraw/zinc/61/04/13/417610413.db2.gz HZEXHOIVCUKWHC-INIZCTEOSA-N 1 3 313.490 0.511 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000576041477 417574026 /nfs/dbraw/zinc/57/40/26/417574026.db2.gz GIJQUDWKPYLHEL-YDHLFZDLSA-N 1 3 310.442 0.077 20 0 DCADHO CCCN(CC)CC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000576937102 417648013 /nfs/dbraw/zinc/64/80/13/417648013.db2.gz WTBZKAFMMTVVCT-XHSDSOJGSA-N 1 3 301.475 0.778 20 0 DCADHO COC[C@@]1(C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000645221448 417714157 /nfs/dbraw/zinc/71/41/57/417714157.db2.gz NDLDENBJJKNWTO-MRXNPFEDSA-N 1 3 304.394 0.356 20 0 DCADHO COC[C@]1(C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000645221447 417714946 /nfs/dbraw/zinc/71/49/46/417714946.db2.gz NDLDENBJJKNWTO-INIZCTEOSA-N 1 3 304.394 0.356 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458237122 417729591 /nfs/dbraw/zinc/72/95/91/417729591.db2.gz KWIHEZRVIZQEQL-LSDHHAIUSA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458237122 417729596 /nfs/dbraw/zinc/72/95/96/417729596.db2.gz KWIHEZRVIZQEQL-LSDHHAIUSA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458237121 417730894 /nfs/dbraw/zinc/73/08/94/417730894.db2.gz KWIHEZRVIZQEQL-HUUCEWRRSA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458237121 417730900 /nfs/dbraw/zinc/73/09/00/417730900.db2.gz KWIHEZRVIZQEQL-HUUCEWRRSA-N 1 3 314.474 0.863 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCN2CCC1CC2 ZINC000635847313 417773412 /nfs/dbraw/zinc/77/34/12/417773412.db2.gz FOOXHQYQDSJMIN-UHFFFAOYSA-N 1 3 313.442 0.278 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN2CCC1CC2 ZINC000635847313 417773416 /nfs/dbraw/zinc/77/34/16/417773416.db2.gz FOOXHQYQDSJMIN-UHFFFAOYSA-N 1 3 313.442 0.278 20 0 DCADHO COCCN1CCC(NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000645768032 417791933 /nfs/dbraw/zinc/79/19/33/417791933.db2.gz SKJHMSHWDRLLKL-UHFFFAOYSA-N 1 3 313.442 0.500 20 0 DCADHO C[C@H]1C[C@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)CN1C1CC1 ZINC000662539982 417798053 /nfs/dbraw/zinc/79/80/53/417798053.db2.gz QCOWIHZTCDXDSH-RYUDHWBXSA-N 1 3 318.425 0.558 20 0 DCADHO O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)C12CCC[NH+](CCC1)C2 ZINC000635928548 417799845 /nfs/dbraw/zinc/79/98/45/417799845.db2.gz ITRXKQKHFOFVJI-GJZGRUSLSA-N 1 3 307.438 0.530 20 0 DCADHO CC1(C)CN[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662614327 417820687 /nfs/dbraw/zinc/82/06/87/417820687.db2.gz PXIRLPVSJMBXDI-OAHLLOKOSA-N 1 3 309.454 0.992 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@H](C)CN2CCCCC2)C[C@H]1C[NH3+] ZINC000652128326 417849969 /nfs/dbraw/zinc/84/99/69/417849969.db2.gz WWAORPFMJCXZSB-RBSFLKMASA-N 1 3 312.458 0.866 20 0 DCADHO CC(C)(CNCc1ccnn1-c1ccncc1)NS(C)(=O)=O ZINC000657359208 417851020 /nfs/dbraw/zinc/85/10/20/417851020.db2.gz UCIITIFUWZXFFR-UHFFFAOYSA-N 1 3 323.422 0.685 20 0 DCADHO C[C@H](CNC(=O)NCCC1(C[NH3+])CC1)CN1CCN(C)CC1 ZINC000652159309 417853088 /nfs/dbraw/zinc/85/30/88/417853088.db2.gz VRPIPPPTAFJWTH-CQSZACIVSA-N 1 3 311.474 0.298 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000652154595 417854162 /nfs/dbraw/zinc/85/41/62/417854162.db2.gz JSAKASGCEMGNPG-INIZCTEOSA-N 1 3 320.437 0.926 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662700889 417859054 /nfs/dbraw/zinc/85/90/54/417859054.db2.gz MBUOVLNMSIZNGJ-GFCCVEGCSA-N 1 3 306.414 0.274 20 0 DCADHO CN(CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CC1 ZINC000662696758 417859374 /nfs/dbraw/zinc/85/93/74/417859374.db2.gz UKFBJTBOWREDEW-CYBMUJFWSA-N 1 3 306.414 0.417 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662726451 417873651 /nfs/dbraw/zinc/87/36/51/417873651.db2.gz PTNNUWOBYIRPBG-UONOGXRCSA-N 1 3 313.442 0.356 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000662749205 417885047 /nfs/dbraw/zinc/88/50/47/417885047.db2.gz AKUXBYJNCUGUNZ-CYBMUJFWSA-N 1 3 315.377 0.737 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000662794367 417907735 /nfs/dbraw/zinc/90/77/35/417907735.db2.gz NNBLRFWTZMVZBZ-CVEARBPZSA-N 1 3 318.421 0.778 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])Cc1ccccc1 ZINC000662662540 417840237 /nfs/dbraw/zinc/84/02/37/417840237.db2.gz GJJQQWMUOIARFV-HRCADAONSA-N 1 3 305.422 0.639 20 0 DCADHO CC(C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000646375748 417841164 /nfs/dbraw/zinc/84/11/64/417841164.db2.gz HNXXCEWYYGDHQA-FRRDWIJNSA-N 1 3 302.440 0.658 20 0 DCADHO C[C@@H](NC(=O)c1cnn(CCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000631277705 417843768 /nfs/dbraw/zinc/84/37/68/417843768.db2.gz IQOWSNJBLOYMOH-CYBMUJFWSA-N 1 3 307.442 0.905 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000252 417974982 /nfs/dbraw/zinc/97/49/82/417974982.db2.gz FMAGDQJRVSBHIW-HOTGVXAUSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000252 417974987 /nfs/dbraw/zinc/97/49/87/417974987.db2.gz FMAGDQJRVSBHIW-HOTGVXAUSA-N 1 3 309.454 0.993 20 0 DCADHO [NH3+]CCCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013283 417977347 /nfs/dbraw/zinc/97/73/47/417977347.db2.gz BZTNNLPSHNYUKU-ZDUSSCGKSA-N 1 3 320.441 0.264 20 0 DCADHO [NH3+]CC1(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000662858847 417927593 /nfs/dbraw/zinc/92/75/93/417927593.db2.gz IREMUGLMRLYAEL-MRXNPFEDSA-N 1 3 317.433 0.998 20 0 DCADHO C[C@@H](C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000662858638 417928552 /nfs/dbraw/zinc/92/85/52/417928552.db2.gz HAWIPMKTUAPVHZ-WWGRRREGSA-N 1 3 305.422 0.853 20 0 DCADHO NC1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCC1 ZINC000662860910 417930852 /nfs/dbraw/zinc/93/08/52/417930852.db2.gz VJAYIWOVSNHLJE-OAHLLOKOSA-N 1 3 303.406 0.751 20 0 DCADHO NC1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCC1 ZINC000662860910 417930858 /nfs/dbraw/zinc/93/08/58/417930858.db2.gz VJAYIWOVSNHLJE-OAHLLOKOSA-N 1 3 303.406 0.751 20 0 DCADHO COCCNCC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662860129 417931325 /nfs/dbraw/zinc/93/13/25/417931325.db2.gz QSLNBJSUFUSMHG-MRXNPFEDSA-N 1 3 321.421 0.105 20 0 DCADHO COCCNCC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662860129 417931328 /nfs/dbraw/zinc/93/13/28/417931328.db2.gz QSLNBJSUFUSMHG-MRXNPFEDSA-N 1 3 321.421 0.105 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000652612549 417932773 /nfs/dbraw/zinc/93/27/73/417932773.db2.gz VQCGRPPXKFVEGM-HZSPNIEDSA-N 1 3 320.441 0.954 20 0 DCADHO C[C@@H](CS(C)(=O)=O)[NH2+]CC1CCN(C2CCOCC2)CC1 ZINC000658068079 417935856 /nfs/dbraw/zinc/93/58/56/417935856.db2.gz TYFQXYWPTUZZIN-ZDUSSCGKSA-N 1 3 318.483 0.900 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652674671 417941184 /nfs/dbraw/zinc/94/11/84/417941184.db2.gz DBWDQEQSUCVXHQ-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CN(C(=O)[C@H](N)CC(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901347 417943955 /nfs/dbraw/zinc/94/39/55/417943955.db2.gz VSCHHIWGWUHDRD-CHWSQXEVSA-N 1 3 318.412 0.596 20 0 DCADHO CN(C(=O)[C@H](N)CC(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901347 417943958 /nfs/dbraw/zinc/94/39/58/417943958.db2.gz VSCHHIWGWUHDRD-CHWSQXEVSA-N 1 3 318.412 0.596 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000652701707 417949183 /nfs/dbraw/zinc/94/91/83/417949183.db2.gz HTIVSIWWNANTMD-QGZVFWFLSA-N 1 3 324.469 0.437 20 0 DCADHO CN(CCC[NH3+])C(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000662930427 417955192 /nfs/dbraw/zinc/95/51/92/417955192.db2.gz QEVMUOMNPFFDKM-CQSZACIVSA-N 1 3 310.442 0.271 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652722940 417955243 /nfs/dbraw/zinc/95/52/43/417955243.db2.gz DSGQQCDAHRLNEO-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652731260 417958631 /nfs/dbraw/zinc/95/86/31/417958631.db2.gz FXKDRCFPDFPLHQ-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000652732085 417960171 /nfs/dbraw/zinc/96/01/71/417960171.db2.gz BRXUYUYLHDKKPA-HNNXBMFYSA-N 1 3 324.469 0.518 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@H](C[NH3+])C1 ZINC000662985867 417972434 /nfs/dbraw/zinc/97/24/34/417972434.db2.gz CJECROCFVCTTAR-RDBSUJKOSA-N 1 3 310.442 0.125 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000647489693 418014520 /nfs/dbraw/zinc/01/45/20/418014520.db2.gz ZHEXULVFHSQDNX-ZDUSSCGKSA-N 1 3 301.394 0.621 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1ccccc1-n1cncn1 ZINC000647492987 418014684 /nfs/dbraw/zinc/01/46/84/418014684.db2.gz MYWSJPPRTLFRFK-UHFFFAOYSA-N 1 3 300.410 0.604 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653151292 418037557 /nfs/dbraw/zinc/03/75/57/418037557.db2.gz BXFZCDFLTMBNHJ-HYVNUMGLSA-N 1 3 318.465 0.902 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000663628782 418041153 /nfs/dbraw/zinc/04/11/53/418041153.db2.gz MIMGGPRXRNATRA-AJNGGQMLSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+]1CCCC[C@@H]1C ZINC000663628782 418041156 /nfs/dbraw/zinc/04/11/56/418041156.db2.gz MIMGGPRXRNATRA-AJNGGQMLSA-N 1 3 312.458 0.566 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000641180934 417982342 /nfs/dbraw/zinc/98/23/42/417982342.db2.gz ILDQYVWYZBESGP-JYJNAYRXSA-N 1 3 323.485 0.678 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659513608 418109398 /nfs/dbraw/zinc/10/93/98/418109398.db2.gz WYWHLGMGYIVSEZ-HNNXBMFYSA-N 1 3 312.458 0.927 20 0 DCADHO CC1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659529071 418111848 /nfs/dbraw/zinc/11/18/48/418111848.db2.gz IQCRFLSNAARCKH-OAHLLOKOSA-N 1 3 324.469 0.929 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)NC[C@H]1CNCCO1 ZINC000659552758 418117489 /nfs/dbraw/zinc/11/74/89/418117489.db2.gz FWLVJUXVKHQDQR-OAHLLOKOSA-N 1 3 310.442 0.396 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000659102742 418060636 /nfs/dbraw/zinc/06/06/36/418060636.db2.gz HJRXNIJTUWBJOK-CQSZACIVSA-N 1 3 318.421 0.945 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000659103975 418061256 /nfs/dbraw/zinc/06/12/56/418061256.db2.gz VUFCNPQKEMBKQO-AWEZNQCLSA-N 1 3 304.394 0.684 20 0 DCADHO [NH3+]CCn1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)nn1 ZINC000659364222 418086623 /nfs/dbraw/zinc/08/66/23/418086623.db2.gz KFEMZFHOIQNCCK-AWEZNQCLSA-N 1 3 316.365 0.150 20 0 DCADHO C[C@H](CCNC(=O)NCCCCN1CCN(C)CC1)[NH+](C)C ZINC000664175524 418094147 /nfs/dbraw/zinc/09/41/47/418094147.db2.gz PVAZLHLPSOFGRC-OAHLLOKOSA-N 1 3 313.490 0.653 20 0 DCADHO CN1CCN(CC2CCN(C(=O)CCC(C)(C)[NH3+])CC2)CC1 ZINC000648150841 418107174 /nfs/dbraw/zinc/10/71/74/418107174.db2.gz FAQQCJWRSDFMIO-UHFFFAOYSA-N 1 3 310.486 0.990 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664396570 418121664 /nfs/dbraw/zinc/12/16/64/418121664.db2.gz LOZLJJLYYYSONI-KKUMJFAQSA-N 1 3 312.458 0.281 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664396570 418121667 /nfs/dbraw/zinc/12/16/67/418121667.db2.gz LOZLJJLYYYSONI-KKUMJFAQSA-N 1 3 312.458 0.281 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659607994 418125810 /nfs/dbraw/zinc/12/58/10/418125810.db2.gz IVFVVQUBLKYNIL-HUUCEWRRSA-N 1 3 312.458 0.912 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H]1C ZINC000659608119 418125871 /nfs/dbraw/zinc/12/58/71/418125871.db2.gz KWEVPGJFSJRSHG-KCQAQPDRSA-N 1 3 310.442 0.632 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000659618043 418128934 /nfs/dbraw/zinc/12/89/34/418128934.db2.gz CXXVZUBCBFHIBE-UONOGXRCSA-N 1 3 323.445 0.457 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659686645 418146442 /nfs/dbraw/zinc/14/64/42/418146442.db2.gz WFCUOTZPQJRCNQ-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000659702382 418152567 /nfs/dbraw/zinc/15/25/67/418152567.db2.gz PAWDOPXQNQLBSE-LBPRGKRZSA-N 1 3 306.410 0.089 20 0 DCADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CC2CC1(CN)C2)C(C)C ZINC000659705568 418154507 /nfs/dbraw/zinc/15/45/07/418154507.db2.gz YQMQXZIYFGVKCS-UHFFFAOYSA-N 1 3 324.469 0.561 20 0 DCADHO CC1(C)CC(NC(=O)C(=O)N2CC3CC2(CN)C3)CC(C)(C)[NH2+]1 ZINC000659706066 418154556 /nfs/dbraw/zinc/15/45/56/418154556.db2.gz FZSIZCLHVZUKDK-UHFFFAOYSA-N 1 3 322.453 0.362 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000659710374 418156259 /nfs/dbraw/zinc/15/62/59/418156259.db2.gz QVTUYLRJCMUKHK-CYBMUJFWSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000659709320 418156621 /nfs/dbraw/zinc/15/66/21/418156621.db2.gz HDDDBOAWLBXQJK-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000654529603 418157511 /nfs/dbraw/zinc/15/75/11/418157511.db2.gz OIBAMFPLCDNTIO-KGLIPLIRSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000654529603 418157513 /nfs/dbraw/zinc/15/75/13/418157513.db2.gz OIBAMFPLCDNTIO-KGLIPLIRSA-N 1 3 305.426 0.801 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659713386 418158431 /nfs/dbraw/zinc/15/84/31/418158431.db2.gz IRBFREJNDREKFY-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000659717813 418160436 /nfs/dbraw/zinc/16/04/36/418160436.db2.gz JYKVUUBHQLSDLB-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000659720325 418161083 /nfs/dbraw/zinc/16/10/83/418161083.db2.gz CBBCYRBPHCTEJQ-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000659723016 418164247 /nfs/dbraw/zinc/16/42/47/418164247.db2.gz JUQVHEMWPPYMRG-CZUORRHYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1=CCOCC1 ZINC000664988237 418165923 /nfs/dbraw/zinc/16/59/23/418165923.db2.gz OGSYKELGRNNMEH-AWEZNQCLSA-N 1 3 312.458 0.904 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1=CCOCC1 ZINC000664988237 418165926 /nfs/dbraw/zinc/16/59/26/418165926.db2.gz OGSYKELGRNNMEH-AWEZNQCLSA-N 1 3 312.458 0.904 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@@H]2CNCCC2(F)F)CCOCC1 ZINC000649332394 418239955 /nfs/dbraw/zinc/23/99/55/418239955.db2.gz YOXOZYOTHPBDBV-NSHDSACASA-N 1 3 305.369 0.458 20 0 DCADHO C[NH+](C)[C@@H](CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655295197 418248711 /nfs/dbraw/zinc/24/87/11/418248711.db2.gz AVRWWOQBJORJSQ-BBWFWOEESA-N 1 3 317.433 0.957 20 0 DCADHO CN(CCc1nc2ccccc2n1C)CCN1CC[NH2+]CC1 ZINC000649409617 418252481 /nfs/dbraw/zinc/25/24/81/418252481.db2.gz DPNCMVVJIFKODN-UHFFFAOYSA-N 1 3 301.438 0.953 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000660366234 418252671 /nfs/dbraw/zinc/25/26/71/418252671.db2.gz BVNUNOAFRDKEDF-LSDHHAIUSA-N 1 3 301.475 0.465 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000660366234 418252673 /nfs/dbraw/zinc/25/26/73/418252673.db2.gz BVNUNOAFRDKEDF-LSDHHAIUSA-N 1 3 301.475 0.465 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553943 418220854 /nfs/dbraw/zinc/22/08/54/418220854.db2.gz CBTPNAKQPHZPHA-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553943 418220857 /nfs/dbraw/zinc/22/08/57/418220857.db2.gz CBTPNAKQPHZPHA-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649320339 418236020 /nfs/dbraw/zinc/23/60/20/418236020.db2.gz WDTNHXXEVUKHLF-UHFFFAOYSA-N 1 3 312.458 0.517 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000649322790 418236295 /nfs/dbraw/zinc/23/62/95/418236295.db2.gz MLAWZEUAZFFKJV-OAHLLOKOSA-N 1 3 317.437 0.562 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660844555 418293936 /nfs/dbraw/zinc/29/39/36/418293936.db2.gz PEONDEDWRZEOMO-ZFWWWQNUSA-N 1 3 312.458 0.879 20 0 DCADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655928498 418303756 /nfs/dbraw/zinc/30/37/56/418303756.db2.gz NDAZILGHOCLUKB-UWVGGRQHSA-N 1 3 314.352 0.268 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000655973819 418310339 /nfs/dbraw/zinc/31/03/39/418310339.db2.gz IRPJABGJLQYKRK-QLFBSQMISA-N 1 3 310.442 0.763 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656020080 418317578 /nfs/dbraw/zinc/31/75/78/418317578.db2.gz MXUBTIUAWQVKFX-ZNMIVQPWSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656023159 418319732 /nfs/dbraw/zinc/31/97/32/418319732.db2.gz XCPXPMQSEOSYTL-MGPQQGTHSA-N 1 3 310.442 0.219 20 0 DCADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028271 418321359 /nfs/dbraw/zinc/32/13/59/418321359.db2.gz KDYHQGFRACYOTC-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCC1 ZINC000656084372 418325761 /nfs/dbraw/zinc/32/57/61/418325761.db2.gz IFUYHPXAUZJEJK-OKILXGFUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](N2CCOCC2)CC1 ZINC000660474875 418262345 /nfs/dbraw/zinc/26/23/45/418262345.db2.gz OEPBJQUNDMEZSP-IRXDYDNUSA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H](N2CCOCC2)CC1 ZINC000660474875 418262348 /nfs/dbraw/zinc/26/23/48/418262348.db2.gz OEPBJQUNDMEZSP-IRXDYDNUSA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474875 418262352 /nfs/dbraw/zinc/26/23/52/418262352.db2.gz OEPBJQUNDMEZSP-IRXDYDNUSA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474875 418262354 /nfs/dbraw/zinc/26/23/54/418262354.db2.gz OEPBJQUNDMEZSP-IRXDYDNUSA-N 1 3 313.486 0.874 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656303647 418342843 /nfs/dbraw/zinc/34/28/43/418342843.db2.gz LNENLYLUPDXTSW-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)N(C)C)cc1 ZINC000662418542 418408963 /nfs/dbraw/zinc/40/89/63/418408963.db2.gz VIEAITZGWWBSTE-OAHLLOKOSA-N 1 3 316.409 0.578 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662359925 418403172 /nfs/dbraw/zinc/40/31/72/418403172.db2.gz CKAYQWLTKZCCOU-CYBMUJFWSA-N 1 3 306.414 0.417 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662366029 418403419 /nfs/dbraw/zinc/40/34/19/418403419.db2.gz ZETZDOXCLVULDJ-LLVKDONJSA-N 1 3 303.410 0.843 20 0 DCADHO CC1CCN(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662388820 418405268 /nfs/dbraw/zinc/40/52/68/418405268.db2.gz UORSCZCAASHHGK-UHFFFAOYSA-N 1 3 320.441 0.664 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN(CC)CCO)C1 ZINC000185391375 261120369 /nfs/dbraw/zinc/12/03/69/261120369.db2.gz MPBSCLDVXVBAGR-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCN(CC)CCO)C1 ZINC000185391375 261120370 /nfs/dbraw/zinc/12/03/70/261120370.db2.gz MPBSCLDVXVBAGR-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000237018710 261156970 /nfs/dbraw/zinc/15/69/70/261156970.db2.gz AFOLIVBIXALBNH-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354804876 261274067 /nfs/dbraw/zinc/27/40/67/261274067.db2.gz ORZQVZXMJAJYEJ-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CC[NH+]1CCC(CNC(=O)c2ccnc(CN)c2)CC1 ZINC000361609667 261944622 /nfs/dbraw/zinc/94/46/22/261944622.db2.gz JJBTYZBFMCEQSD-UHFFFAOYSA-N 1 3 319.453 0.544 20 0 DCADHO COCCN(C)CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362553643 262046671 /nfs/dbraw/zinc/04/66/71/262046671.db2.gz PAUPVZZURJHVKC-LBPRGKRZSA-N 1 3 309.414 0.185 20 0 DCADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000363389924 262113043 /nfs/dbraw/zinc/11/30/43/262113043.db2.gz OLVCGBYUJPHOLM-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000363389924 262113045 /nfs/dbraw/zinc/11/30/45/262113045.db2.gz OLVCGBYUJPHOLM-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NCCCN1CCc2ccccc2C1)NCC1C[NH2+]C1 ZINC000417039276 262244196 /nfs/dbraw/zinc/24/41/96/262244196.db2.gz VDLYFEKLOOHRDD-UHFFFAOYSA-N 1 3 302.422 0.953 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCCCN(C)CCOC)C1 ZINC000417091384 262245525 /nfs/dbraw/zinc/24/55/25/262245525.db2.gz JRLANGCLYAHZNZ-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417584981 262255798 /nfs/dbraw/zinc/25/57/98/262255798.db2.gz NYUATVATDHMOHO-HNNXBMFYSA-N 1 3 311.474 0.455 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417698623 262257851 /nfs/dbraw/zinc/25/78/51/262257851.db2.gz DUTWGFFTYMKEIF-CABCVRRESA-N 1 3 306.410 0.706 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000417741653 262259899 /nfs/dbraw/zinc/25/98/99/262259899.db2.gz AMNMJPPGIGYKAP-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000417749324 262260053 /nfs/dbraw/zinc/26/00/53/262260053.db2.gz JKATVVUATICDLO-GJZGRUSLSA-N 1 3 313.490 0.543 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000417808829 262262120 /nfs/dbraw/zinc/26/21/20/262262120.db2.gz LSJVJKGUFPQUPG-CYBMUJFWSA-N 1 3 300.447 0.912 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)F)CCSC1 ZINC000417832127 262263225 /nfs/dbraw/zinc/26/32/25/262263225.db2.gz RAFLDZCGPANUCU-JOYOIKCWSA-N 1 3 310.414 0.705 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417992173 262267300 /nfs/dbraw/zinc/26/73/00/262267300.db2.gz MBXGWYSUVSMOND-CVEARBPZSA-N 1 3 320.437 0.790 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000418072297 262269352 /nfs/dbraw/zinc/26/93/52/262269352.db2.gz VATMVQXBMLAONW-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000418376000 262275954 /nfs/dbraw/zinc/27/59/54/262275954.db2.gz XWWXXUVVULDHHZ-GJZGRUSLSA-N 1 3 312.458 0.521 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418413641 262276897 /nfs/dbraw/zinc/27/68/97/262276897.db2.gz QXKVGAVJECMWEF-SOUVJXGZSA-N 1 3 312.458 0.650 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418639074 262284584 /nfs/dbraw/zinc/28/45/84/262284584.db2.gz PFODXYANOPNHIQ-GOEBONIOSA-N 1 3 317.437 0.076 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418792925 262290098 /nfs/dbraw/zinc/29/00/98/262290098.db2.gz PLLGSDWECRGFLW-CQSZACIVSA-N 1 3 300.447 0.594 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418925168 262298491 /nfs/dbraw/zinc/29/84/91/262298491.db2.gz QDIJXDDJZMRBFU-IOASZLSFSA-N 1 3 312.458 0.419 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCCNCC1 ZINC000418931930 262299662 /nfs/dbraw/zinc/29/96/62/262299662.db2.gz GUVXDAYZNBZCRC-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419017509 262305303 /nfs/dbraw/zinc/30/53/03/262305303.db2.gz AYAQKVSJSXWPGJ-CBBWQLFWSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419017673 262305320 /nfs/dbraw/zinc/30/53/20/262305320.db2.gz BFTXCLNTMUGDFJ-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419083258 262307625 /nfs/dbraw/zinc/30/76/25/262307625.db2.gz VZZVPVCCSOLDHP-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419097365 262309315 /nfs/dbraw/zinc/30/93/15/262309315.db2.gz DWUMQSLCHBYXDJ-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419118379 262310008 /nfs/dbraw/zinc/31/00/08/262310008.db2.gz IQPUOIPSFYPTSD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)CN)CC(C)C ZINC000419128108 262311528 /nfs/dbraw/zinc/31/15/28/262311528.db2.gz VCPNIWJRHNCXAI-QWHCGFSZSA-N 1 3 300.447 0.323 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419168121 262316117 /nfs/dbraw/zinc/31/61/17/262316117.db2.gz KDTUCGOVOFJWMR-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N(C)CCN)[N@H+](C)Cc1ccccc1 ZINC000419201632 262319086 /nfs/dbraw/zinc/31/90/86/262319086.db2.gz MMXVSWAMBSSFJM-CQSZACIVSA-N 1 3 320.437 0.430 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N(C)CCN)[N@@H+](C)Cc1ccccc1 ZINC000419201632 262319088 /nfs/dbraw/zinc/31/90/88/262319088.db2.gz MMXVSWAMBSSFJM-CQSZACIVSA-N 1 3 320.437 0.430 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419222684 262320336 /nfs/dbraw/zinc/32/03/36/262320336.db2.gz BVTZUWIABNWSJG-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232828 262322087 /nfs/dbraw/zinc/32/20/87/262322087.db2.gz VIZWYUJEZBCAFJ-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419369052 262327786 /nfs/dbraw/zinc/32/77/86/262327786.db2.gz GZIFDEDTFNPVPP-CABCVRRESA-N 1 3 324.469 0.337 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000419405876 262330355 /nfs/dbraw/zinc/33/03/55/262330355.db2.gz IAMDFOKADDSTQG-OAHLLOKOSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419409288 262331242 /nfs/dbraw/zinc/33/12/42/262331242.db2.gz MXXGXWHGRHUCNS-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000419411193 262331509 /nfs/dbraw/zinc/33/15/09/262331509.db2.gz BDTSIOUZDXCWLA-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419429464 262333167 /nfs/dbraw/zinc/33/31/67/262333167.db2.gz UUZZLTIIFDLRCG-BBRMVZONSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419480389 262334079 /nfs/dbraw/zinc/33/40/79/262334079.db2.gz NEJFOLNDGJJAPH-MJBXVCDLSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419480389 262334080 /nfs/dbraw/zinc/33/40/80/262334080.db2.gz NEJFOLNDGJJAPH-MJBXVCDLSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419695630 262346188 /nfs/dbraw/zinc/34/61/88/262346188.db2.gz LERRWLMVOOMCAA-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)C1CC1 ZINC000419879703 262351516 /nfs/dbraw/zinc/35/15/16/262351516.db2.gz ZSNCPWSISIAHPK-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419964468 262354271 /nfs/dbraw/zinc/35/42/71/262354271.db2.gz WFJDATJUUNOLIS-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420073996 262359507 /nfs/dbraw/zinc/35/95/07/262359507.db2.gz PTHZBQNQLHVNJM-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420073996 262359508 /nfs/dbraw/zinc/35/95/08/262359508.db2.gz PTHZBQNQLHVNJM-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420159458 262365079 /nfs/dbraw/zinc/36/50/79/262365079.db2.gz CONRRPTWPLWXMG-UHFFFAOYSA-N 1 3 324.469 0.459 20 0 DCADHO CC[C@@H](C)NC(=O)CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420352831 262370489 /nfs/dbraw/zinc/37/04/89/262370489.db2.gz AVCKXFGCKKDRCD-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420367359 262371678 /nfs/dbraw/zinc/37/16/78/262371678.db2.gz VOBJDGUPWHQRBK-JYJNAYRXSA-N 1 3 306.406 0.945 20 0 DCADHO COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420367359 262371680 /nfs/dbraw/zinc/37/16/80/262371680.db2.gz VOBJDGUPWHQRBK-JYJNAYRXSA-N 1 3 306.406 0.945 20 0 DCADHO COC(=O)C[C@@H]1CCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420367359 262371681 /nfs/dbraw/zinc/37/16/81/262371681.db2.gz VOBJDGUPWHQRBK-JYJNAYRXSA-N 1 3 306.406 0.945 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@H]1C[NH3+] ZINC000420399850 262373506 /nfs/dbraw/zinc/37/35/06/262373506.db2.gz IHZSUVVKNQCNLS-UONOGXRCSA-N 1 3 308.470 0.646 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423418120 262444016 /nfs/dbraw/zinc/44/40/16/262444016.db2.gz UFPVNOVKNPWSNO-AWEZNQCLSA-N 1 3 312.458 0.517 20 0 DCADHO O=C([C@H]1CCCN1C1CCOCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000361276275 271178062 /nfs/dbraw/zinc/17/80/62/271178062.db2.gz YBQHXKWDRCGACD-NVXWUHKLSA-N 1 3 307.438 0.842 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418401482 271244921 /nfs/dbraw/zinc/24/49/21/271244921.db2.gz GQWWIYIUNOLPRY-KFWWJZLASA-N 1 3 312.458 0.506 20 0 DCADHO CN(C)C[C@](C)(O)CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418463668 271245983 /nfs/dbraw/zinc/24/59/83/271245983.db2.gz OUWAYKLEEFLGOR-MRXNPFEDSA-N 1 3 314.474 0.911 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000418461412 271245993 /nfs/dbraw/zinc/24/59/93/271245993.db2.gz JCFYRHCMVZJHMX-LSDHHAIUSA-N 1 3 313.490 0.829 20 0 DCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418731473 271253726 /nfs/dbraw/zinc/25/37/26/271253726.db2.gz SVXUWBUHXKCYCE-RDBSUJKOSA-N 1 3 311.474 0.532 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418824966 271257182 /nfs/dbraw/zinc/25/71/82/271257182.db2.gz AYCFJIVXCSXNHM-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418948270 271262829 /nfs/dbraw/zinc/26/28/29/271262829.db2.gz QBPXITSEMGYXNF-ZDUSSCGKSA-N 1 3 310.442 0.259 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H](C)CN(CC)CC)[C@H]1CC[NH2+]C1 ZINC000418951624 271262971 /nfs/dbraw/zinc/26/29/71/271262971.db2.gz UQYYTLLJQVRHTC-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO NC[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CCCC1 ZINC000418990972 271263652 /nfs/dbraw/zinc/26/36/52/271263652.db2.gz DDCXGTHXYOAELQ-OAHLLOKOSA-N 1 3 324.469 0.612 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419029248 271267073 /nfs/dbraw/zinc/26/70/73/271267073.db2.gz RJJYJWMCVJOCPN-MBNYWOFBSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419030145 271267612 /nfs/dbraw/zinc/26/76/12/271267612.db2.gz SPHWLLMKMUCJIM-HZSPNIEDSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419043984 271268930 /nfs/dbraw/zinc/26/89/30/271268930.db2.gz KTMGWEDCQMPMBB-GXTWGEPZSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419033169 271270063 /nfs/dbraw/zinc/27/00/63/271270063.db2.gz XZLGIIYPXUCQCF-ZUJMUWTESA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H](CN)C1CC1)C(C)(C)C ZINC000419141344 271275638 /nfs/dbraw/zinc/27/56/38/271275638.db2.gz WWPXIXPEEWWBPN-STQMWFEESA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419141009 271275910 /nfs/dbraw/zinc/27/59/10/271275910.db2.gz AGOWMFJUNAIOBC-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)C(C)(C)C[NH+](C)C ZINC000419537902 271301134 /nfs/dbraw/zinc/30/11/34/271301134.db2.gz DJVCSXHWXFZGIM-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000419581963 271310683 /nfs/dbraw/zinc/31/06/83/271310683.db2.gz IWKVROJCTOKWKO-YRGRVCCFSA-N 1 3 310.442 0.219 20 0 DCADHO CC[N@H+](CCC1CCN(C(=O)C(=O)NCCN)CC1)CC1CC1 ZINC000419818737 271327720 /nfs/dbraw/zinc/32/77/20/271327720.db2.gz OTCDEDSTZVMITJ-UHFFFAOYSA-N 1 3 324.469 0.422 20 0 DCADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)NCCN)CC1)CC1CC1 ZINC000419818737 271327723 /nfs/dbraw/zinc/32/77/23/271327723.db2.gz OTCDEDSTZVMITJ-UHFFFAOYSA-N 1 3 324.469 0.422 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419886281 271337517 /nfs/dbraw/zinc/33/75/17/271337517.db2.gz CAPALVXGINSFFQ-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419895626 271339107 /nfs/dbraw/zinc/33/91/07/271339107.db2.gz SJMILKQBLTXOAL-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](N)c1ccccc1)C(C)C ZINC000419903973 271341819 /nfs/dbraw/zinc/34/18/19/271341819.db2.gz AYRPQDJYKKHBMN-HNNXBMFYSA-N 1 3 320.437 0.649 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](N)c1ccccc1)C(C)C ZINC000419903973 271341822 /nfs/dbraw/zinc/34/18/22/271341822.db2.gz AYRPQDJYKKHBMN-HNNXBMFYSA-N 1 3 320.437 0.649 20 0 DCADHO CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)CN)[NH+]1CCCC1 ZINC000420015490 271351648 /nfs/dbraw/zinc/35/16/48/271351648.db2.gz QTDRAOGZQIYQBW-OCCSQVGLSA-N 1 3 312.458 0.467 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000420130483 271359402 /nfs/dbraw/zinc/35/94/02/271359402.db2.gz WEDBYDJLUPXTMR-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000420130483 271359408 /nfs/dbraw/zinc/35/94/08/271359408.db2.gz WEDBYDJLUPXTMR-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422849921 271390018 /nfs/dbraw/zinc/39/00/18/271390018.db2.gz VGNLFOMRKUIQOW-CABCVRRESA-N 1 3 319.453 0.836 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000459901029 272018048 /nfs/dbraw/zinc/01/80/48/272018048.db2.gz UADXRQVLRNPYIR-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000459901029 272018049 /nfs/dbraw/zinc/01/80/49/272018049.db2.gz UADXRQVLRNPYIR-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)C/C=C/C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000491841317 272106705 /nfs/dbraw/zinc/10/67/05/272106705.db2.gz CCBJXRRLMLPPAT-AATRIKPKSA-N 1 3 310.442 0.163 20 0 DCADHO CN(C)C/C=C/C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000492854932 272154299 /nfs/dbraw/zinc/15/42/99/272154299.db2.gz RTGYMPIJFPJJMX-BQYQJAHWSA-N 1 3 310.442 0.213 20 0 DCADHO CC[C@@]1(O)CCN(CCOCC[N@@H+]2CC[C@@](O)(CC)C2)C1 ZINC000495228898 272242558 /nfs/dbraw/zinc/24/25/58/272242558.db2.gz MKUUYCPRBKPQJC-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO CC[C@@]1(O)CCN(CCOCC[N@H+]2CC[C@@](O)(CC)C2)C1 ZINC000495228898 272242561 /nfs/dbraw/zinc/24/25/61/272242561.db2.gz MKUUYCPRBKPQJC-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO CC[C@@]1(O)CC[N@@H+](CCOCCN2CC[C@@](O)(CC)C2)C1 ZINC000495228898 272242562 /nfs/dbraw/zinc/24/25/62/272242562.db2.gz MKUUYCPRBKPQJC-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO CC[C@@]1(O)CC[N@H+](CCOCCN2CC[C@@](O)(CC)C2)C1 ZINC000495228898 272242564 /nfs/dbraw/zinc/24/25/64/272242564.db2.gz MKUUYCPRBKPQJC-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)C[NH+]1CCCCC1 ZINC000545884044 288003606 /nfs/dbraw/zinc/00/36/06/288003606.db2.gz FDBUJNLYELUIOI-HOCLYGCPSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H](CN1CCOCC1)[N@H+](C)CCCN(C)CCN(C)C ZINC000344028350 278193351 /nfs/dbraw/zinc/19/33/51/278193351.db2.gz NAKVVGCWTKZPRM-MRXNPFEDSA-N 1 3 300.491 0.522 20 0 DCADHO C[C@H](CN1CCOCC1)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344028350 278193352 /nfs/dbraw/zinc/19/33/52/278193352.db2.gz NAKVVGCWTKZPRM-MRXNPFEDSA-N 1 3 300.491 0.522 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000548001039 288100596 /nfs/dbraw/zinc/10/05/96/288100596.db2.gz GKWPFUSQVOYBHI-HUUCEWRRSA-N 1 3 314.474 0.672 20 0 DCADHO C[C@@H]1CN(C2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)CCO1 ZINC000336867767 288134629 /nfs/dbraw/zinc/13/46/29/288134629.db2.gz UEHJELJNKJWQKZ-PBHICJAKSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)CCO1 ZINC000336867767 288134630 /nfs/dbraw/zinc/13/46/30/288134630.db2.gz UEHJELJNKJWQKZ-PBHICJAKSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000332535184 288300779 /nfs/dbraw/zinc/30/07/79/288300779.db2.gz ADZLPDILMGWCPU-KBUPBQIOSA-N 1 3 322.453 0.315 20 0 DCADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332626034 288307758 /nfs/dbraw/zinc/30/77/58/288307758.db2.gz OPEKVBBJWKTENL-LSDHHAIUSA-N 1 3 322.453 0.269 20 0 DCADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332626030 288314362 /nfs/dbraw/zinc/31/43/62/288314362.db2.gz OPEKVBBJWKTENL-GJZGRUSLSA-N 1 3 322.453 0.269 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)CCC[NH+](C)C)CCC1 ZINC000562689594 288591239 /nfs/dbraw/zinc/59/12/39/288591239.db2.gz XBTUFZVCLIAUEW-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@@H](C)N)[C@H]1CC12CC[NH2+]CC2 ZINC000564084980 288724841 /nfs/dbraw/zinc/72/48/41/288724841.db2.gz OSWLQBBSMMTWLS-OLZOCXBDSA-N 1 3 305.426 0.721 20 0 DCADHO O=C(NC[C@@]1(O)CN2CCC1CC2)C1C[NH+](C2CCCCC2)C1 ZINC000565196004 288828478 /nfs/dbraw/zinc/82/84/78/288828478.db2.gz HUWKTLBNHGYDQT-GOSISDBHSA-N 1 3 321.465 0.824 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000343305373 289376970 /nfs/dbraw/zinc/37/69/70/289376970.db2.gz XGHMHHRNMUATFA-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000332358827 295273073 /nfs/dbraw/zinc/27/30/73/295273073.db2.gz XCRMBMONKNKLTA-HZPDHXFCSA-N 1 3 324.469 0.868 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000296400441 295311235 /nfs/dbraw/zinc/31/12/35/295311235.db2.gz LLCNNWNJSHRXFQ-QWHCGFSZSA-N 1 3 303.410 0.947 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000331474967 298557780 /nfs/dbraw/zinc/55/77/80/298557780.db2.gz WONDCXVWHZZOHP-ILXRZTDVSA-N 1 3 322.453 0.045 20 0 DCADHO NC[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000294969158 303413905 /nfs/dbraw/zinc/41/39/05/303413905.db2.gz IYDXILFFQCAJJJ-HOTGVXAUSA-N 1 3 302.422 0.235 20 0 DCADHO NC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000420068751 303415285 /nfs/dbraw/zinc/41/52/85/303415285.db2.gz VCUHQJUJNIOHNX-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000580055735 332919077 /nfs/dbraw/zinc/91/90/77/332919077.db2.gz MZVHVOMQYAUDBG-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000582725548 337125755 /nfs/dbraw/zinc/12/57/55/337125755.db2.gz QDTSZSWIUASPPD-BHYGNILZSA-N 1 3 316.449 0.610 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCn2cncc2C1 ZINC000583254210 337289904 /nfs/dbraw/zinc/28/99/04/337289904.db2.gz ZYGPEUSGXNQAJE-CQSZACIVSA-N 1 3 307.442 0.397 20 0 DCADHO CC[NH+](CC)CCSCC(=O)N1CCN(C)C[C@@H]1CN ZINC000580649881 341892029 /nfs/dbraw/zinc/89/20/29/341892029.db2.gz NKRYXMIAQRIPPV-ZDUSSCGKSA-N 1 3 302.488 0.163 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001540430670 1159799733 /nfs/dbraw/zinc/79/97/33/1159799733.db2.gz ULTADXAZLIOUPH-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H](C[NH2+]CCO[C@H]1CC1(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001568302486 1160625477 /nfs/dbraw/zinc/62/54/77/1160625477.db2.gz AUMBBAJEDUMINT-PWSUYJOCSA-N 1 3 316.352 0.813 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](F)CN2)c1 ZINC000188713948 521800793 /nfs/dbraw/zinc/80/07/93/521800793.db2.gz WZDWMMMLXPCRCH-DZGCQCFKSA-N 1 3 309.385 0.943 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410429031 527824210 /nfs/dbraw/zinc/82/42/10/527824210.db2.gz BMVBOLRNSNONAG-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410429031 527824214 /nfs/dbraw/zinc/82/42/14/527824214.db2.gz BMVBOLRNSNONAG-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420325035 535636177 /nfs/dbraw/zinc/63/61/77/535636177.db2.gz HXHHGLXTKUJQJC-BBWFWOEESA-N 1 3 322.497 0.861 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419890557 535866797 /nfs/dbraw/zinc/86/67/97/535866797.db2.gz IOXPLAAKPIRZKN-CYBMUJFWSA-N 1 3 322.409 0.038 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCSC1 ZINC000417813318 546245194 /nfs/dbraw/zinc/24/51/94/546245194.db2.gz GGMVOMYITABZQS-DYEKYZERSA-N 1 3 300.472 0.993 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000416970036 546243755 /nfs/dbraw/zinc/24/37/55/546243755.db2.gz DAWUYBQJPUEZLF-HIFRSBDPSA-N 1 3 311.474 0.582 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCn1cccn1 ZINC000665757177 546392999 /nfs/dbraw/zinc/39/29/99/546392999.db2.gz AKEHCHOEDQIHKX-HNNXBMFYSA-N 1 3 324.473 0.797 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCn1cccn1 ZINC000665757177 546393001 /nfs/dbraw/zinc/39/30/01/546393001.db2.gz AKEHCHOEDQIHKX-HNNXBMFYSA-N 1 3 324.473 0.797 20 0 DCADHO CCn1nccc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764961 546398903 /nfs/dbraw/zinc/39/89/03/546398903.db2.gz VWDIPWJCQKYUOA-AWEZNQCLSA-N 1 3 324.473 0.974 20 0 DCADHO CCn1nccc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764961 546398905 /nfs/dbraw/zinc/39/89/05/546398905.db2.gz VWDIPWJCQKYUOA-AWEZNQCLSA-N 1 3 324.473 0.974 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nccn1C ZINC000667255631 546579173 /nfs/dbraw/zinc/57/91/73/546579173.db2.gz UYHRIWUODWPSOO-CYBMUJFWSA-N 1 3 310.446 0.616 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC)CC2)C1 ZINC000668374312 546745347 /nfs/dbraw/zinc/74/53/47/546745347.db2.gz YMWOKTHJNQRHKR-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@H+](CC)CCC)C1 ZINC000669220229 546939491 /nfs/dbraw/zinc/93/94/91/546939491.db2.gz GOTWXIYSOCJIKL-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](CC)CCC)C1 ZINC000669220229 546939494 /nfs/dbraw/zinc/93/94/94/546939494.db2.gz GOTWXIYSOCJIKL-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000669407324 546967441 /nfs/dbraw/zinc/96/74/41/546967441.db2.gz MOYLSNSJFWZSLZ-CBBWQLFWSA-N 1 3 312.458 0.864 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000669508615 546982639 /nfs/dbraw/zinc/98/26/39/546982639.db2.gz CXPYZZMADVVCHH-WCQYABFASA-N 1 3 309.435 0.906 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCO1 ZINC000669570921 546992869 /nfs/dbraw/zinc/99/28/69/546992869.db2.gz QPXPSQLYAWNJFW-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671365605 547196636 /nfs/dbraw/zinc/19/66/36/547196636.db2.gz CKZNNPHDMFZQCR-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC(O)(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673866565 547532033 /nfs/dbraw/zinc/53/20/33/547532033.db2.gz VXBKXGWBRBGETG-UHFFFAOYSA-N 1 3 324.429 0.023 20 0 DCADHO C[C@H](CCN1CC[C@@H](CC(N)=O)C1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676871235 547828109 /nfs/dbraw/zinc/82/81/09/547828109.db2.gz RDEKVUGCWLAYQP-HZSPNIEDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CCN1CC[C@@H](CC(N)=O)C1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000676871235 547828113 /nfs/dbraw/zinc/82/81/13/547828113.db2.gz RDEKVUGCWLAYQP-HZSPNIEDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@@H+]1CC[C@@H](CC(N)=O)C1)N1CC[C@H](CC(N)=O)C1 ZINC000676871235 547828117 /nfs/dbraw/zinc/82/81/17/547828117.db2.gz RDEKVUGCWLAYQP-HZSPNIEDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@H+]1CC[C@@H](CC(N)=O)C1)N1CC[C@H](CC(N)=O)C1 ZINC000676871235 547828121 /nfs/dbraw/zinc/82/81/21/547828121.db2.gz RDEKVUGCWLAYQP-HZSPNIEDSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677904506 547918512 /nfs/dbraw/zinc/91/85/12/547918512.db2.gz RBBAARKUGBQXBA-WBVHZDCISA-N 1 3 318.465 0.843 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678770901 548003133 /nfs/dbraw/zinc/00/31/33/548003133.db2.gz JEGUDSLMENUUJR-ZIAGYGMSSA-N 1 3 317.499 0.568 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000683364210 548473320 /nfs/dbraw/zinc/47/33/20/548473320.db2.gz UCFBGLWKYOUSIG-ZIAGYGMSSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000683364210 548473315 /nfs/dbraw/zinc/47/33/15/548473315.db2.gz UCFBGLWKYOUSIG-ZIAGYGMSSA-N 1 3 314.474 0.676 20 0 DCADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000683822814 548520754 /nfs/dbraw/zinc/52/07/54/548520754.db2.gz UKRUXABBCYQYSV-HUUCEWRRSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000683822814 548520760 /nfs/dbraw/zinc/52/07/60/548520760.db2.gz UKRUXABBCYQYSV-HUUCEWRRSA-N 1 3 324.469 0.975 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001668574193 1174809148 /nfs/dbraw/zinc/80/91/48/1174809148.db2.gz IHCOKPBFGJDYQL-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001668973249 1174870917 /nfs/dbraw/zinc/87/09/17/1174870917.db2.gz NHYZXISVUYUTOV-URWSZGRFSA-N 1 3 310.442 0.387 20 0 DCADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)CCN(C)CC1 ZINC000893625032 661048421 /nfs/dbraw/zinc/04/84/21/661048421.db2.gz DPWJMPNEXIYIHW-GOEBONIOSA-N 1 3 323.485 0.358 20 0 DCADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)CCN(C)CC1 ZINC000893625032 661048422 /nfs/dbraw/zinc/04/84/22/661048422.db2.gz DPWJMPNEXIYIHW-GOEBONIOSA-N 1 3 323.485 0.358 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037496 661094119 /nfs/dbraw/zinc/09/41/19/661094119.db2.gz ZFUDPCBDYFBZQE-DGNOSDGRSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037496 661094121 /nfs/dbraw/zinc/09/41/21/661094121.db2.gz ZFUDPCBDYFBZQE-DGNOSDGRSA-N 1 3 307.438 0.839 20 0 DCADHO CCC[N@@H+]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981647355 661189373 /nfs/dbraw/zinc/18/93/73/661189373.db2.gz ZUXFFOLGCXAGMZ-ISXOHVOVSA-N 1 3 307.438 0.794 20 0 DCADHO CCC[N@H+]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981647355 661189375 /nfs/dbraw/zinc/18/93/75/661189375.db2.gz ZUXFFOLGCXAGMZ-ISXOHVOVSA-N 1 3 307.438 0.794 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC2(C1)CCCN(CCO)C2 ZINC000981823034 661224867 /nfs/dbraw/zinc/22/48/67/661224867.db2.gz XKZXABQWQIURGF-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC2(C1)CCCN(CCO)C2 ZINC000981823034 661224868 /nfs/dbraw/zinc/22/48/68/661224868.db2.gz XKZXABQWQIURGF-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)O)C2)N(C)C ZINC000981827939 661225866 /nfs/dbraw/zinc/22/58/66/661225866.db2.gz SJGPEXPXQCKUGB-CABCVRRESA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)O)C2)N(C)C ZINC000981827939 661225867 /nfs/dbraw/zinc/22/58/67/661225867.db2.gz SJGPEXPXQCKUGB-CABCVRRESA-N 1 3 311.470 0.878 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022165736 657514301 /nfs/dbraw/zinc/51/43/01/657514301.db2.gz DMNVYRAQJHNFPL-VNHYZAJKSA-N 1 3 320.441 0.426 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022165736 657514304 /nfs/dbraw/zinc/51/43/04/657514304.db2.gz DMNVYRAQJHNFPL-VNHYZAJKSA-N 1 3 320.441 0.426 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCn3cccn3)C2)CCC1 ZINC000971673964 657550276 /nfs/dbraw/zinc/55/02/76/657550276.db2.gz LGLKZVBPCFIHNA-HNNXBMFYSA-N 1 3 319.453 0.900 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCn3cccn3)C2)CCC1 ZINC000971673964 657550280 /nfs/dbraw/zinc/55/02/80/657550280.db2.gz LGLKZVBPCFIHNA-HNNXBMFYSA-N 1 3 319.453 0.900 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970484461 657562163 /nfs/dbraw/zinc/56/21/63/657562163.db2.gz SPRUPKKIFFMMIE-GDBMZVCRSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970484461 657562164 /nfs/dbraw/zinc/56/21/64/657562164.db2.gz SPRUPKKIFFMMIE-GDBMZVCRSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000970785562 657906329 /nfs/dbraw/zinc/90/63/29/657906329.db2.gz BTQODATYIKVVQN-XJKSGUPXSA-N 1 3 305.422 0.933 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001022452485 657934518 /nfs/dbraw/zinc/93/45/18/657934518.db2.gz MXYOHQOPRUFUCW-OWQJAQGESA-N 1 3 319.449 0.887 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCOC3)C2)C1 ZINC001020589167 658160933 /nfs/dbraw/zinc/16/09/33/658160933.db2.gz YIJLFCLJSOHOPC-FZKCQIBNSA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1C)N(C)C ZINC001020592201 658169873 /nfs/dbraw/zinc/16/98/73/658169873.db2.gz SHLTZEFXSWZXFN-XGUBFFRZSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H]1C)N(C)C ZINC001020592201 658169878 /nfs/dbraw/zinc/16/98/78/658169878.db2.gz SHLTZEFXSWZXFN-XGUBFFRZSA-N 1 3 324.469 0.384 20 0 DCADHO Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020591331 658171854 /nfs/dbraw/zinc/17/18/54/658171854.db2.gz LBCYORWMRWRLAL-JOCQHMNTSA-N 1 3 320.441 0.284 20 0 DCADHO [NH3+]CC[C@@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)C(F)F ZINC000892149702 658227032 /nfs/dbraw/zinc/22/70/32/658227032.db2.gz DFAOUXVYOQKQRN-CHWSQXEVSA-N 1 3 312.364 0.983 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000892176489 658267105 /nfs/dbraw/zinc/26/71/05/658267105.db2.gz VNQKWUPWPFMPHE-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO [NH3+][C@H](CCNC(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000892181433 658273613 /nfs/dbraw/zinc/27/36/13/658273613.db2.gz SJCAMTCQNMZMKA-HUUCEWRRSA-N 1 3 306.410 0.234 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001022713293 658357204 /nfs/dbraw/zinc/35/72/04/658357204.db2.gz JVGZEUYMOMQIOL-SOUVJXGZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001022712739 658360082 /nfs/dbraw/zinc/36/00/82/658360082.db2.gz YPLWTUAFRHXSCO-CWRNSKLLSA-N 1 3 319.453 0.684 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001022716019 658369068 /nfs/dbraw/zinc/36/90/68/658369068.db2.gz PMYLJEJVAZCIMG-AEGPPILISA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001022716019 658369077 /nfs/dbraw/zinc/36/90/77/658369077.db2.gz PMYLJEJVAZCIMG-AEGPPILISA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001022720531 658383949 /nfs/dbraw/zinc/38/39/49/658383949.db2.gz RIHGYFXBZBBIMA-RMRHIDDWSA-N 1 3 305.426 0.355 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001022720531 658383962 /nfs/dbraw/zinc/38/39/62/658383962.db2.gz RIHGYFXBZBBIMA-RMRHIDDWSA-N 1 3 305.426 0.355 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022721660 658387410 /nfs/dbraw/zinc/38/74/10/658387410.db2.gz YHIHIZHVDRTKDQ-MHEUCROKSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022721660 658387420 /nfs/dbraw/zinc/38/74/20/658387420.db2.gz YHIHIZHVDRTKDQ-MHEUCROKSA-N 1 3 317.437 0.720 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517855 665584992 /nfs/dbraw/zinc/58/49/92/665584992.db2.gz JTZGEHXXKNQHCQ-LVQVYYBASA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517855 665584994 /nfs/dbraw/zinc/58/49/94/665584994.db2.gz JTZGEHXXKNQHCQ-LVQVYYBASA-N 1 3 309.454 0.632 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001024180450 658511097 /nfs/dbraw/zinc/51/10/97/658511097.db2.gz XXAOZGFZHKCYOE-UONOGXRCSA-N 1 3 306.410 0.817 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000972333163 658579473 /nfs/dbraw/zinc/57/94/73/658579473.db2.gz UFDUUVNFMLIBDU-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000972333163 658579476 /nfs/dbraw/zinc/57/94/76/658579476.db2.gz UFDUUVNFMLIBDU-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO O=C(N[C@H]1C[C@H](NCc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC001020933439 658596490 /nfs/dbraw/zinc/59/64/90/658596490.db2.gz ICIZTCSMLMQRSI-HAQNSBGRSA-N 1 3 306.435 0.976 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC(N)=O)C2)CC1)N(C)C ZINC001039159792 658815613 /nfs/dbraw/zinc/81/56/13/658815613.db2.gz YFWWODNUMLORQA-CABCVRRESA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1)N(C)C ZINC001039159792 658815623 /nfs/dbraw/zinc/81/56/23/658815623.db2.gz YFWWODNUMLORQA-CABCVRRESA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001022077037 658835634 /nfs/dbraw/zinc/83/56/34/658835634.db2.gz IHVXJEXBNVAGPO-UPJWGTAASA-N 1 3 310.442 0.362 20 0 DCADHO COCCN(C)CCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891492217 658889640 /nfs/dbraw/zinc/88/96/40/658889640.db2.gz GXNCRMSLZNUTCF-UHFFFAOYSA-N 1 3 300.447 0.868 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC000999363828 665637081 /nfs/dbraw/zinc/63/70/81/665637081.db2.gz KHZLRVAGNDENMA-ZFWWWQNUSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001027217560 659089820 /nfs/dbraw/zinc/08/98/20/659089820.db2.gz LUYKQXMUTUSHOH-OAHLLOKOSA-N 1 3 317.437 0.819 20 0 DCADHO CN1CCC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217904 659090121 /nfs/dbraw/zinc/09/01/21/659090121.db2.gz RWCIMONCYNHTSD-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+](CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000892663087 659100557 /nfs/dbraw/zinc/10/05/57/659100557.db2.gz RZIWFGVKHPZCBE-HOTGVXAUSA-N 1 3 324.469 0.711 20 0 DCADHO CC[N@@H+](CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000892663087 659100559 /nfs/dbraw/zinc/10/05/59/659100559.db2.gz RZIWFGVKHPZCBE-HOTGVXAUSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000973291704 659228293 /nfs/dbraw/zinc/22/82/93/659228293.db2.gz BHKPHCPASHROLU-KBUPBQIOSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000973291704 659228296 /nfs/dbraw/zinc/22/82/96/659228296.db2.gz BHKPHCPASHROLU-KBUPBQIOSA-N 1 3 322.453 0.043 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)C1 ZINC001026361763 659239685 /nfs/dbraw/zinc/23/96/85/659239685.db2.gz SYLGWVWRZKNYTP-BFHYXJOUSA-N 1 3 322.453 0.030 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999571882 665658401 /nfs/dbraw/zinc/65/84/01/665658401.db2.gz BBXOOIFVYJWOAY-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999571882 665658402 /nfs/dbraw/zinc/65/84/02/665658402.db2.gz BBXOOIFVYJWOAY-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892798346 659459398 /nfs/dbraw/zinc/45/93/98/659459398.db2.gz BVOUXBAXFSJDJP-WBVHZDCISA-N 1 3 318.421 0.067 20 0 DCADHO C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892798346 659459400 /nfs/dbraw/zinc/45/94/00/659459400.db2.gz BVOUXBAXFSJDJP-WBVHZDCISA-N 1 3 318.421 0.067 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026727329 659482558 /nfs/dbraw/zinc/48/25/58/659482558.db2.gz NBUPHIAIKLIOMC-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO CCn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001026734974 659488055 /nfs/dbraw/zinc/48/80/55/659488055.db2.gz XDFOHXGHJAFVCZ-ZBFHGGJFSA-N 1 3 319.453 0.935 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001026733934 659490497 /nfs/dbraw/zinc/49/04/97/659490497.db2.gz KCLZGOAOMCIZLF-YPMHNXCESA-N 1 3 309.439 0.570 20 0 DCADHO CCC1([NH3+])CCN(C(=O)N(CCOC)CCN(C)C)CC1 ZINC000892923945 659511101 /nfs/dbraw/zinc/51/11/01/659511101.db2.gz WAKPDVKNWRLBER-UHFFFAOYSA-N 1 3 300.447 0.820 20 0 DCADHO CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999760390 665680888 /nfs/dbraw/zinc/68/08/88/665680888.db2.gz GKDCWLBFQLJEFA-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001025778785 659555192 /nfs/dbraw/zinc/55/51/92/659555192.db2.gz BZEIYPRNWRKHRE-LJIZCISZSA-N 1 3 309.454 0.941 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001025778785 659555195 /nfs/dbraw/zinc/55/51/95/659555195.db2.gz BZEIYPRNWRKHRE-LJIZCISZSA-N 1 3 309.454 0.941 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799133 659565441 /nfs/dbraw/zinc/56/54/41/659565441.db2.gz YXDYMMQPRPUQRW-LJIZCISZSA-N 1 3 305.422 0.306 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799133 659565444 /nfs/dbraw/zinc/56/54/44/659565444.db2.gz YXDYMMQPRPUQRW-LJIZCISZSA-N 1 3 305.422 0.306 20 0 DCADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799041 659565586 /nfs/dbraw/zinc/56/55/86/659565586.db2.gz QFJGDYYOVCBYCJ-UUAJXVIYSA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799041 659565590 /nfs/dbraw/zinc/56/55/90/659565590.db2.gz QFJGDYYOVCBYCJ-UUAJXVIYSA-N 1 3 319.449 0.862 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025808939 659567639 /nfs/dbraw/zinc/56/76/39/659567639.db2.gz BUXRXQBYHDXHPQ-FIDHJVLJSA-N 1 3 321.465 0.944 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025808939 659567644 /nfs/dbraw/zinc/56/76/44/659567644.db2.gz BUXRXQBYHDXHPQ-FIDHJVLJSA-N 1 3 321.465 0.944 20 0 DCADHO CC1(C)CN(CCCO)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000974575277 659578451 /nfs/dbraw/zinc/57/84/51/659578451.db2.gz DGGPIUDTTGEMJH-CABCVRRESA-N 1 3 309.454 0.537 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001019776089 659613843 /nfs/dbraw/zinc/61/38/43/659613843.db2.gz VPVFSTGIKGENEF-HNNXBMFYSA-N 1 3 320.441 0.181 20 0 DCADHO COc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001020026369 659659305 /nfs/dbraw/zinc/65/93/05/659659305.db2.gz QZRXKADPTRUOKT-KKUMJFAQSA-N 1 3 318.421 0.921 20 0 DCADHO CN1CCC(O)(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893042961 659702709 /nfs/dbraw/zinc/70/27/09/659702709.db2.gz XKIWPTRPOWXHDI-STQMWFEESA-N 1 3 302.390 0.666 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027035235 659725161 /nfs/dbraw/zinc/72/51/61/659725161.db2.gz AKLQNSWFSIOZQD-AWEZNQCLSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1)[NH+](C)C ZINC001027043778 659730214 /nfs/dbraw/zinc/73/02/14/659730214.db2.gz LJGUUONSFKEJCV-DZGCQCFKSA-N 1 3 322.457 0.339 20 0 DCADHO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C)OC ZINC001026043428 659759050 /nfs/dbraw/zinc/75/90/50/659759050.db2.gz SMUGWMLEHHNWIG-LVNYTYFRSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C)OC ZINC001026043428 659759054 /nfs/dbraw/zinc/75/90/54/659759054.db2.gz SMUGWMLEHHNWIG-LVNYTYFRSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2nccn2C)C1 ZINC001027063519 659759546 /nfs/dbraw/zinc/75/95/46/659759546.db2.gz MYIVLDSPCFBDKR-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2nccn2C)C1 ZINC001027063519 659759550 /nfs/dbraw/zinc/75/95/50/659759550.db2.gz MYIVLDSPCFBDKR-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)no2)C1)N(C)C ZINC001027070751 659783768 /nfs/dbraw/zinc/78/37/68/659783768.db2.gz XCNVOEQNKTYSGA-JSGCOSHPSA-N 1 3 324.425 0.962 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091522 659798118 /nfs/dbraw/zinc/79/81/18/659798118.db2.gz OMYIKCBAFOCYBF-CYBMUJFWSA-N 1 3 316.409 0.632 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000999869918 665704560 /nfs/dbraw/zinc/70/45/60/665704560.db2.gz JJKDCUZWOCLQCZ-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000999869918 665704562 /nfs/dbraw/zinc/70/45/62/665704562.db2.gz JJKDCUZWOCLQCZ-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1ccnc(N)c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000893978487 661421995 /nfs/dbraw/zinc/42/19/95/661421995.db2.gz RLVWYWKSYFSPRK-UHFFFAOYSA-N 1 3 319.453 0.862 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001000188703 665768203 /nfs/dbraw/zinc/76/82/03/665768203.db2.gz BTDNSZHGTDNIJS-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC001000188718 665768243 /nfs/dbraw/zinc/76/82/43/665768243.db2.gz BTKOPNSZJSYRRQ-KGLIPLIRSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC001000188718 665768246 /nfs/dbraw/zinc/76/82/46/665768246.db2.gz BTKOPNSZJSYRRQ-KGLIPLIRSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001000188691 665768424 /nfs/dbraw/zinc/76/84/24/665768424.db2.gz BTDNSZHGTDNIJS-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000192387 665770345 /nfs/dbraw/zinc/77/03/45/665770345.db2.gz MEWMWHKQHVWOIH-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001000195615 665770779 /nfs/dbraw/zinc/77/07/79/665770779.db2.gz YKDHIVPAUPTACV-JKSUJKDBSA-N 1 3 319.453 0.948 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001000198193 665773270 /nfs/dbraw/zinc/77/32/70/665773270.db2.gz KXTFNCXWGRQNQH-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001000217630 665785283 /nfs/dbraw/zinc/78/52/83/665785283.db2.gz IGWVTBIMOBPCSU-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001000219737 665787181 /nfs/dbraw/zinc/78/71/81/665787181.db2.gz QHUPYAOMMXVQAZ-CABCVRRESA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001028764396 661813245 /nfs/dbraw/zinc/81/32/45/661813245.db2.gz GBQWDAHEESGEOC-GFCCVEGCSA-N 1 3 322.409 0.139 20 0 DCADHO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001028764396 661813247 /nfs/dbraw/zinc/81/32/47/661813247.db2.gz GBQWDAHEESGEOC-GFCCVEGCSA-N 1 3 322.409 0.139 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029345291 662112023 /nfs/dbraw/zinc/11/20/23/662112023.db2.gz QQXJBBCAUHZSPE-OAGGEKHMSA-N 1 3 309.454 0.918 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029345291 662112024 /nfs/dbraw/zinc/11/20/24/662112024.db2.gz QQXJBBCAUHZSPE-OAGGEKHMSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000378748 665832112 /nfs/dbraw/zinc/83/21/12/665832112.db2.gz PFCCSHFZUNNSIF-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000378748 665832114 /nfs/dbraw/zinc/83/21/14/665832114.db2.gz PFCCSHFZUNNSIF-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000984732914 662293090 /nfs/dbraw/zinc/29/30/90/662293090.db2.gz XEQQWPXYQOIYPG-SAZUREKKSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985470196 662463678 /nfs/dbraw/zinc/46/36/78/662463678.db2.gz NNKHBUJKIQCUBA-LBPRGKRZSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985470196 662463681 /nfs/dbraw/zinc/46/36/81/662463681.db2.gz NNKHBUJKIQCUBA-LBPRGKRZSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H](CC)C(N)=O)CC1)N(C)C ZINC000985496136 662467637 /nfs/dbraw/zinc/46/76/37/662467637.db2.gz MMAUJHLEPJACIT-ZIAGYGMSSA-N 1 3 312.458 0.513 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H](CC)C(N)=O)CC1)N(C)C ZINC000985496136 662467638 /nfs/dbraw/zinc/46/76/38/662467638.db2.gz MMAUJHLEPJACIT-ZIAGYGMSSA-N 1 3 312.458 0.513 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029947087 662597353 /nfs/dbraw/zinc/59/73/53/662597353.db2.gz HVEWXGCTWAZSOG-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001029947087 662597355 /nfs/dbraw/zinc/59/73/55/662597355.db2.gz HVEWXGCTWAZSOG-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000937978071 662847526 /nfs/dbraw/zinc/84/75/26/662847526.db2.gz HSILRBUHXBROOF-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000937978071 662847527 /nfs/dbraw/zinc/84/75/27/662847527.db2.gz HSILRBUHXBROOF-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988957299 662873448 /nfs/dbraw/zinc/87/34/48/662873448.db2.gz FCUHPAXTYXMSKJ-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001000689540 665910573 /nfs/dbraw/zinc/91/05/73/665910573.db2.gz QEFXZLOOQMFEFB-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000689540 665910574 /nfs/dbraw/zinc/91/05/74/665910574.db2.gz QEFXZLOOQMFEFB-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000729499904 662892514 /nfs/dbraw/zinc/89/25/14/662892514.db2.gz AXKFUPFNGOREIZ-KLHDSHLOSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000729499904 662892515 /nfs/dbraw/zinc/89/25/15/662892515.db2.gz AXKFUPFNGOREIZ-KLHDSHLOSA-N 1 3 322.453 0.776 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001000691498 665911345 /nfs/dbraw/zinc/91/13/45/665911345.db2.gz ZJXPQGQRMXWLLU-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001000691498 665911347 /nfs/dbraw/zinc/91/13/47/665911347.db2.gz ZJXPQGQRMXWLLU-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@H](C)C1 ZINC000897830791 662927994 /nfs/dbraw/zinc/92/79/94/662927994.db2.gz OEZJHDPGHTXYBN-ZIAGYGMSSA-N 1 3 303.472 0.732 20 0 DCADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990279122 663028478 /nfs/dbraw/zinc/02/84/78/663028478.db2.gz VPCBTUCHMFDZME-MRXNPFEDSA-N 1 3 317.437 0.960 20 0 DCADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990279691 663028554 /nfs/dbraw/zinc/02/85/54/663028554.db2.gz ZFEYIUBMUPFJRV-OAHLLOKOSA-N 1 3 320.441 0.473 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000899558718 663153471 /nfs/dbraw/zinc/15/34/71/663153471.db2.gz WHEVRZGOYFXMDN-MRXNPFEDSA-N 1 3 320.481 0.853 20 0 DCADHO COCCN(CC[NH+](C)C)C(=O)c1ccnn1CCN(C)C ZINC000900587308 663257691 /nfs/dbraw/zinc/25/76/91/663257691.db2.gz MSCDYEZXJHYBQW-UHFFFAOYSA-N 1 3 311.430 0.095 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001000843736 665935688 /nfs/dbraw/zinc/93/56/88/665935688.db2.gz YLFMLIMTZRBQPJ-CVEARBPZSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001000843736 665935692 /nfs/dbraw/zinc/93/56/92/665935692.db2.gz YLFMLIMTZRBQPJ-CVEARBPZSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001000843739 665935803 /nfs/dbraw/zinc/93/58/03/665935803.db2.gz YLFMLIMTZRBQPJ-JKSUJKDBSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001000843739 665935805 /nfs/dbraw/zinc/93/58/05/665935805.db2.gz YLFMLIMTZRBQPJ-JKSUJKDBSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215335 665945853 /nfs/dbraw/zinc/94/58/53/665945853.db2.gz QOUZVIWZDPNXEW-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000902503882 663416540 /nfs/dbraw/zinc/41/65/40/663416540.db2.gz YKULBTZTHLVUEJ-DHUALAOXSA-N 1 3 303.410 0.866 20 0 DCADHO CC[C@H](C)[C@@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)OC ZINC000903499117 663456955 /nfs/dbraw/zinc/45/69/55/663456955.db2.gz GOSBODFQPCFTHT-KYEXWDHISA-N 1 3 313.442 0.607 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000903747063 663476687 /nfs/dbraw/zinc/47/66/87/663476687.db2.gz OVEXMWZFTJESBM-MELADBBJSA-N 1 3 311.426 0.505 20 0 DCADHO COCCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903811075 663486882 /nfs/dbraw/zinc/48/68/82/663486882.db2.gz JITPVVDDSYXZPE-GJZGRUSLSA-N 1 3 300.443 0.994 20 0 DCADHO COCCOC[C@@H](O)C[N@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903811075 663486883 /nfs/dbraw/zinc/48/68/83/663486883.db2.gz JITPVVDDSYXZPE-GJZGRUSLSA-N 1 3 300.443 0.994 20 0 DCADHO COCCn1cc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cn1 ZINC000903978831 663499022 /nfs/dbraw/zinc/49/90/22/663499022.db2.gz MZKMUQAAMAOFPX-LZWOXQAQSA-N 1 3 322.409 0.242 20 0 DCADHO COC(=O)N1CCC(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903969218 663499612 /nfs/dbraw/zinc/49/96/12/663499612.db2.gz CWUKHTHEBPVJSY-AWEZNQCLSA-N 1 3 311.426 0.966 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905070223 663530564 /nfs/dbraw/zinc/53/05/64/663530564.db2.gz IFBGGSOZDBHGML-OWCLPIDISA-N 1 3 300.443 0.599 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905070223 663530566 /nfs/dbraw/zinc/53/05/66/663530566.db2.gz IFBGGSOZDBHGML-OWCLPIDISA-N 1 3 300.443 0.599 20 0 DCADHO CN1CCC(C[NH2+]C[C@](C)(O)C(F)F)(N2CCOCC2)CC1 ZINC000905286396 663545491 /nfs/dbraw/zinc/54/54/91/663545491.db2.gz MGIFJRQUFYNLDF-AWEZNQCLSA-N 1 3 321.412 0.389 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040395806 663555446 /nfs/dbraw/zinc/55/54/46/663555446.db2.gz QRZTWDFGKZEXKV-WBVHZDCISA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040395806 663555448 /nfs/dbraw/zinc/55/54/48/663555448.db2.gz QRZTWDFGKZEXKV-WBVHZDCISA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)c1 ZINC001000996692 665977729 /nfs/dbraw/zinc/97/77/29/665977729.db2.gz RQQLAQGJYADLJA-HNNXBMFYSA-N 1 3 318.421 0.428 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC000906738205 663637061 /nfs/dbraw/zinc/63/70/61/663637061.db2.gz CGKBFMBVJXNTMQ-MQMHXKEQSA-N 1 3 304.394 0.540 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000908200524 663742412 /nfs/dbraw/zinc/74/24/12/663742412.db2.gz ITQRZCDCUCIGTL-XHSDSOJGSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000908200524 663742413 /nfs/dbraw/zinc/74/24/13/663742413.db2.gz ITQRZCDCUCIGTL-XHSDSOJGSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000909915675 663816308 /nfs/dbraw/zinc/81/63/08/663816308.db2.gz ZSQPCQYKVPUAQV-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000909915675 663816309 /nfs/dbraw/zinc/81/63/09/663816309.db2.gz ZSQPCQYKVPUAQV-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCCCC1 ZINC000910947545 663961504 /nfs/dbraw/zinc/96/15/04/663961504.db2.gz ZWLYFHLYJRKWHG-MJBXVCDLSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)N1CCCCC1 ZINC000910946669 663961537 /nfs/dbraw/zinc/96/15/37/663961537.db2.gz OTNGCDZEKGAQHD-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911054563 663972978 /nfs/dbraw/zinc/97/29/78/663972978.db2.gz IJABUJLXGLGAGW-IHRRRGAJSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911055485 663973117 /nfs/dbraw/zinc/97/31/17/663973117.db2.gz PROBYLDRFFWYAT-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N[C@@H](C)CN1CCCCC1)C(C)C ZINC000911163345 663996426 /nfs/dbraw/zinc/99/64/26/663996426.db2.gz WNNLZVDNXMHHQN-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911205819 664004685 /nfs/dbraw/zinc/00/46/85/664004685.db2.gz CGOBXXJZKOGQEL-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000911290675 664019819 /nfs/dbraw/zinc/01/98/19/664019819.db2.gz HOFGDCRMWIORGY-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])C1 ZINC000911337083 664037781 /nfs/dbraw/zinc/03/77/81/664037781.db2.gz PSKYKVTXOSEGIZ-ZQIUZPCESA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911380321 664041338 /nfs/dbraw/zinc/04/13/38/664041338.db2.gz NOWGJLWQUVBFAT-BARDWOONSA-N 1 3 322.453 0.043 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911440985 664052873 /nfs/dbraw/zinc/05/28/73/664052873.db2.gz OZJNCZQYCMHLGN-CKEIUWERSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCC[C@H](C)C1 ZINC000911494428 664064764 /nfs/dbraw/zinc/06/47/64/664064764.db2.gz QJWVOGCSDUUOJZ-XQLPTFJDSA-N 1 3 324.469 0.467 20 0 DCADHO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000911555217 664078080 /nfs/dbraw/zinc/07/80/80/664078080.db2.gz GFQNIHQGISOBGI-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564984 664082707 /nfs/dbraw/zinc/08/27/07/664082707.db2.gz XNXBDTAGCKIFJN-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc3c(c2)OCCNC3)CCO1 ZINC000911885059 664119560 /nfs/dbraw/zinc/11/95/60/664119560.db2.gz TVZDLTLKIOWHOX-XHDPSFHLSA-N 1 3 305.378 0.357 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000912464808 664176052 /nfs/dbraw/zinc/17/60/52/664176052.db2.gz ZWFBAXDLEJMATL-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000912464808 664176054 /nfs/dbraw/zinc/17/60/54/664176054.db2.gz ZWFBAXDLEJMATL-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912464809 664176123 /nfs/dbraw/zinc/17/61/23/664176123.db2.gz ZWFBAXDLEJMATL-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912464809 664176124 /nfs/dbraw/zinc/17/61/24/664176124.db2.gz ZWFBAXDLEJMATL-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000991436733 664293118 /nfs/dbraw/zinc/29/31/18/664293118.db2.gz GWDOWRSGFAJPQZ-HNNXBMFYSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000913427144 664312775 /nfs/dbraw/zinc/31/27/75/664312775.db2.gz DEGNASDWTADNMM-ZDUSSCGKSA-N 1 3 323.441 0.020 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000913427144 664312777 /nfs/dbraw/zinc/31/27/77/664312777.db2.gz DEGNASDWTADNMM-ZDUSSCGKSA-N 1 3 323.441 0.020 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991724263 664532237 /nfs/dbraw/zinc/53/22/37/664532237.db2.gz UGRKTDDBIXFBFM-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991724263 664532238 /nfs/dbraw/zinc/53/22/38/664532238.db2.gz UGRKTDDBIXFBFM-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000992370014 664703214 /nfs/dbraw/zinc/70/32/14/664703214.db2.gz ACFUMPRQDREIMC-ZNMIVQPWSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000992370014 664703216 /nfs/dbraw/zinc/70/32/16/664703216.db2.gz ACFUMPRQDREIMC-ZNMIVQPWSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)CCC1 ZINC000992722892 664761352 /nfs/dbraw/zinc/76/13/52/664761352.db2.gz SQVPHSCWWOWUDL-SOUVJXGZSA-N 1 3 309.454 0.680 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000993870739 665015779 /nfs/dbraw/zinc/01/57/79/665015779.db2.gz PHTFSHOMQVLCOA-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993870739 665015780 /nfs/dbraw/zinc/01/57/80/665015780.db2.gz PHTFSHOMQVLCOA-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000733040193 665051726 /nfs/dbraw/zinc/05/17/26/665051726.db2.gz HGDHOGQCOAEZNE-LSDHHAIUSA-N 1 3 310.442 0.587 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000998115818 665402290 /nfs/dbraw/zinc/40/22/90/665402290.db2.gz QDSFCJFDCMJAST-CQSZACIVSA-N 1 3 319.409 0.059 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567332 666020397 /nfs/dbraw/zinc/02/03/97/666020397.db2.gz REXOCOCHVVUFOD-INIZCTEOSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567332 666020398 /nfs/dbraw/zinc/02/03/98/666020398.db2.gz REXOCOCHVVUFOD-INIZCTEOSA-N 1 3 322.497 0.955 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016249861 666022073 /nfs/dbraw/zinc/02/20/73/666022073.db2.gz JZVXKZJNAVGIIP-UONOGXRCSA-N 1 3 305.426 0.105 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016249861 666022074 /nfs/dbraw/zinc/02/20/74/666022074.db2.gz JZVXKZJNAVGIIP-UONOGXRCSA-N 1 3 305.426 0.105 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000941673924 666038459 /nfs/dbraw/zinc/03/84/59/666038459.db2.gz QKDHJFGBAMGTDO-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000941673924 666038461 /nfs/dbraw/zinc/03/84/61/666038461.db2.gz QKDHJFGBAMGTDO-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666233 666041184 /nfs/dbraw/zinc/04/11/84/666041184.db2.gz RJCLHZHQCSJCQC-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666233 666041185 /nfs/dbraw/zinc/04/11/85/666041185.db2.gz RJCLHZHQCSJCQC-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1)N(C)C ZINC000946633018 666567150 /nfs/dbraw/zinc/56/71/50/666567150.db2.gz CLMGBKOEAJVAAM-XHSDSOJGSA-N 1 3 311.470 0.735 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1)N(C)C ZINC000946633018 666567151 /nfs/dbraw/zinc/56/71/51/666567151.db2.gz CLMGBKOEAJVAAM-XHSDSOJGSA-N 1 3 311.470 0.735 20 0 DCADHO C[C@H](C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCCCC1 ZINC000996381813 666779247 /nfs/dbraw/zinc/77/92/47/666779247.db2.gz ZSBGMPXSQBMYAK-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000996438226 666785433 /nfs/dbraw/zinc/78/54/33/666785433.db2.gz YCSQEZXNZVAIDP-XJKSGUPXSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000996438226 666785435 /nfs/dbraw/zinc/78/54/35/666785435.db2.gz YCSQEZXNZVAIDP-XJKSGUPXSA-N 1 3 324.469 0.241 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1)C1CC1 ZINC000996678527 666857817 /nfs/dbraw/zinc/85/78/17/666857817.db2.gz OBDYPVJQAYQPGW-HUUCEWRRSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861600385 666948174 /nfs/dbraw/zinc/94/81/74/666948174.db2.gz MNLWQSRGSIIEIV-ZDUSSCGKSA-N 1 3 300.447 0.864 20 0 DCADHO O=C(N[C@@H]1CCCCN(CCCO)C1)C12CCC[NH+]1CCC2 ZINC001034291119 666979252 /nfs/dbraw/zinc/97/92/52/666979252.db2.gz PXVMOUGARMQFJX-OAHLLOKOSA-N 1 3 309.454 0.968 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCN(C)C3=O)CC2)C1 ZINC000997007005 667069123 /nfs/dbraw/zinc/06/91/23/667069123.db2.gz NTLWNSNQXFWWPK-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000997003487 667072131 /nfs/dbraw/zinc/07/21/31/667072131.db2.gz BIHZOXFYFXECRP-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000997003487 667072134 /nfs/dbraw/zinc/07/21/34/667072134.db2.gz BIHZOXFYFXECRP-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)(C)OC(=O)N1CC(CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863554326 667157155 /nfs/dbraw/zinc/15/71/55/667157155.db2.gz WOGBTNJASMGJSL-CQSZACIVSA-N 1 3 313.442 0.900 20 0 DCADHO C[NH2+]C1(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CCC1 ZINC000863921859 667193723 /nfs/dbraw/zinc/19/37/23/667193723.db2.gz NCZILRXZLPNOGB-HUUCEWRRSA-N 1 3 319.453 0.714 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O)C1CCC1 ZINC001034957764 667198012 /nfs/dbraw/zinc/19/80/12/667198012.db2.gz IJEJGYKIYSDNDH-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C)C1CC1 ZINC001034958887 667199374 /nfs/dbraw/zinc/19/93/74/667199374.db2.gz NPRDMAASMIWGHA-ZBFHGGJFSA-N 1 3 319.453 0.841 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997181977 667209436 /nfs/dbraw/zinc/20/94/36/667209436.db2.gz FIBWQAFYHRYXTQ-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997181977 667209437 /nfs/dbraw/zinc/20/94/37/667209437.db2.gz FIBWQAFYHRYXTQ-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001035085623 667236212 /nfs/dbraw/zinc/23/62/12/667236212.db2.gz HTXBKJYVQAQBIQ-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000997374839 667282975 /nfs/dbraw/zinc/28/29/75/667282975.db2.gz JPPSBHSLSBNOCS-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCN(C(=O)CCN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925493845 667339266 /nfs/dbraw/zinc/33/92/66/667339266.db2.gz ZUGQOZUFXCYCMI-KBMXLJTQSA-N 1 3 308.470 0.517 20 0 DCADHO CN(C(=O)[C@@H](O)c1cnc[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865727660 667341734 /nfs/dbraw/zinc/34/17/34/667341734.db2.gz DVIXVPIULIJFIR-HIFRSBDPSA-N 1 3 321.425 0.070 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997614512 667348522 /nfs/dbraw/zinc/34/85/22/667348522.db2.gz RASPDAQSJWWKLR-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC001036293065 667434517 /nfs/dbraw/zinc/43/45/17/667434517.db2.gz FPGNQJVFWGAFJW-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867573093 667470515 /nfs/dbraw/zinc/47/05/15/667470515.db2.gz XCSKKPYDMZBCNO-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867573093 667470518 /nfs/dbraw/zinc/47/05/18/667470518.db2.gz XCSKKPYDMZBCNO-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867607349 667475502 /nfs/dbraw/zinc/47/55/02/667475502.db2.gz NHQWMGIJQJXVEB-ILXRZTDVSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867607349 667475504 /nfs/dbraw/zinc/47/55/04/667475504.db2.gz NHQWMGIJQJXVEB-ILXRZTDVSA-N 1 3 322.453 0.092 20 0 DCADHO COCC[C@H]([NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000884196387 667495850 /nfs/dbraw/zinc/49/58/50/667495850.db2.gz PPBMBNOXVRXCGE-MCIONIFRSA-N 1 3 301.431 0.356 20 0 DCADHO CNC(=O)c1ccc(CN(C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923302348 667500557 /nfs/dbraw/zinc/50/05/57/667500557.db2.gz VUBSGCCXLXKCCA-HNNXBMFYSA-N 1 3 303.406 0.857 20 0 DCADHO C[C@@H]1CCCN(C(=O)C2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC000923305477 667502352 /nfs/dbraw/zinc/50/23/52/667502352.db2.gz JBCCHTALUBGOHY-OEAJRASXSA-N 1 3 309.454 0.808 20 0 DCADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000884240296 667507547 /nfs/dbraw/zinc/50/75/47/667507547.db2.gz OKMPNXDKDSJSBZ-KFWWJZLASA-N 1 3 322.453 0.221 20 0 DCADHO Cc1nc(C)n([C@@H]2CCCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000923323078 667507895 /nfs/dbraw/zinc/50/78/95/667507895.db2.gz PWASQGCVKNQMKL-HUUCEWRRSA-N 1 3 305.426 0.910 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@@H](C)CN1 ZINC000884244840 667508302 /nfs/dbraw/zinc/50/83/02/667508302.db2.gz LWNOHUOTDJASGU-OLZOCXBDSA-N 1 3 303.410 0.314 20 0 DCADHO CN1CC(=O)N(CCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000923375409 667520175 /nfs/dbraw/zinc/52/01/75/667520175.db2.gz LTPCNFMOFYNUDG-HIFRSBDPSA-N 1 3 324.425 0.099 20 0 DCADHO CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000923411011 667529475 /nfs/dbraw/zinc/52/94/75/667529475.db2.gz LXNWKPJCACVBBH-JGGQBBKZSA-N 1 3 321.421 0.911 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)nn1 ZINC000923412186 667529608 /nfs/dbraw/zinc/52/96/08/667529608.db2.gz VBJUMFPUZAKDIC-GJZGRUSLSA-N 1 3 305.357 0.856 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)nn1 ZINC000923412186 667529612 /nfs/dbraw/zinc/52/96/12/667529612.db2.gz VBJUMFPUZAKDIC-GJZGRUSLSA-N 1 3 305.357 0.856 20 0 DCADHO COCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000884405331 667538692 /nfs/dbraw/zinc/53/86/92/667538692.db2.gz NLFOAZKHSZDHLA-QLFBSQMISA-N 1 3 309.385 0.751 20 0 DCADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@H](CC[NH3+])C1 ZINC000923487339 667543068 /nfs/dbraw/zinc/54/30/68/667543068.db2.gz ZVOCRXBUFYTALA-BDAKNGLRSA-N 1 3 310.320 0.434 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NC(=O)NCc2cccs2)C1 ZINC000923488970 667546389 /nfs/dbraw/zinc/54/63/89/667546389.db2.gz VDEQVKRIHQIOSK-NSHDSACASA-N 1 3 310.423 0.745 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868281518 667551985 /nfs/dbraw/zinc/55/19/85/667551985.db2.gz QARMSDWCYOHCMT-XHSDSOJGSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868281518 667551990 /nfs/dbraw/zinc/55/19/90/667551990.db2.gz QARMSDWCYOHCMT-XHSDSOJGSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868281516 667552149 /nfs/dbraw/zinc/55/21/49/667552149.db2.gz QARMSDWCYOHCMT-OAGGEKHMSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868281516 667552150 /nfs/dbraw/zinc/55/21/50/667552150.db2.gz QARMSDWCYOHCMT-OAGGEKHMSA-N 1 3 324.469 0.833 20 0 DCADHO NS(=O)(=O)C[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000923532057 667556085 /nfs/dbraw/zinc/55/60/85/667556085.db2.gz YJKQSVTZZIQBLR-ZDUSSCGKSA-N 1 3 309.435 0.443 20 0 DCADHO C[NH+](C)CCOc1ccc(CNS(=O)(=O)C2CNC2)cc1 ZINC000923590886 667574125 /nfs/dbraw/zinc/57/41/25/667574125.db2.gz HGRUEPKYHLKRKP-UHFFFAOYSA-N 1 3 313.423 0.018 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000884664309 667584643 /nfs/dbraw/zinc/58/46/43/667584643.db2.gz HZIDSIDWOQMNJE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000884664002 667584767 /nfs/dbraw/zinc/58/47/67/667584767.db2.gz ADCQQGBSMLJRJO-JHJVBQTASA-N 1 3 310.442 0.171 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCC1(C)C ZINC000884723932 667600684 /nfs/dbraw/zinc/60/06/84/667600684.db2.gz DETIVFSRJAGSIJ-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884786378 667607380 /nfs/dbraw/zinc/60/73/80/667607380.db2.gz POXWJBOALSDTLF-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966466 667628884 /nfs/dbraw/zinc/62/88/84/667628884.db2.gz LTDPECYYNJGZCL-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[NH2+]CC2CC2)CC1 ZINC000870903324 667771833 /nfs/dbraw/zinc/77/18/33/667771833.db2.gz VJVHUYLVFQAJBX-HNNXBMFYSA-N 1 3 310.486 0.766 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CC[NH2+]CC3CC3)C2)nn1 ZINC000870945657 667776917 /nfs/dbraw/zinc/77/69/17/667776917.db2.gz MDIQNNOTCWUAML-AWEZNQCLSA-N 1 3 306.414 0.290 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874863 667812268 /nfs/dbraw/zinc/81/22/68/667812268.db2.gz YQASENFHVOYEEQ-MRXNPFEDSA-N 1 3 311.426 0.474 20 0 DCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302796 667888184 /nfs/dbraw/zinc/88/81/84/667888184.db2.gz MPNOKHHQLXIQPE-RQJABVFESA-N 1 3 324.425 0.143 20 0 DCADHO CCS(=O)(=O)NCCC[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212685 668066241 /nfs/dbraw/zinc/06/62/41/668066241.db2.gz PBKDIYIXYHVKMF-UHFFFAOYSA-N 1 3 317.480 0.813 20 0 DCADHO C[C@H]1NCCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000925535073 668327577 /nfs/dbraw/zinc/32/75/77/668327577.db2.gz BMVQNHJTGDTZMV-CVEARBPZSA-N 1 3 318.469 0.719 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000925535073 668327581 /nfs/dbraw/zinc/32/75/81/668327581.db2.gz BMVQNHJTGDTZMV-CVEARBPZSA-N 1 3 318.469 0.719 20 0 DCADHO O=C(NCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccn[nH]1 ZINC000925631994 668337752 /nfs/dbraw/zinc/33/77/52/668337752.db2.gz NBVPPDQMNKKJLW-ZIAGYGMSSA-N 1 3 305.426 0.897 20 0 DCADHO CC(C)S(=O)(=O)N1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925658016 668339266 /nfs/dbraw/zinc/33/92/66/668339266.db2.gz GHLLSWBSQTYPPE-TZMCWYRMSA-N 1 3 303.472 0.919 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)CN(C)C ZINC000926469156 668409370 /nfs/dbraw/zinc/40/93/70/668409370.db2.gz FXMACGCWMWAYRN-CHWSQXEVSA-N 1 3 305.488 0.834 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCOC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000764468378 668448601 /nfs/dbraw/zinc/44/86/01/668448601.db2.gz HBRKWLYPQAQJSX-CABCVRRESA-N 1 3 310.442 0.396 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCOC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000764468378 668448604 /nfs/dbraw/zinc/44/86/04/668448604.db2.gz HBRKWLYPQAQJSX-CABCVRRESA-N 1 3 310.442 0.396 20 0 DCADHO CN(C)C[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000876714441 668494103 /nfs/dbraw/zinc/49/41/03/668494103.db2.gz XYYALWAEMLWNAU-INIZCTEOSA-N 1 3 304.438 0.788 20 0 DCADHO CN(C)C[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000876719992 668495579 /nfs/dbraw/zinc/49/55/79/668495579.db2.gz YNOVKMALKBXTID-KRWDZBQOSA-N 1 3 318.465 0.699 20 0 DCADHO CN(C)C[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000876834579 668518186 /nfs/dbraw/zinc/51/81/86/668518186.db2.gz RRGTXIJQCTVKIE-NSHDSACASA-N 1 3 304.316 0.992 20 0 DCADHO [NH3+]C[C@@]1(C(=O)NC[C@@H]2NCCc3ccccc32)CCCOC1 ZINC000876847804 668520006 /nfs/dbraw/zinc/52/00/06/668520006.db2.gz ZDZFGGXWEYHXHE-RDJZCZTQSA-N 1 3 303.406 0.745 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)/C=C\[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000876919603 668536012 /nfs/dbraw/zinc/53/60/12/668536012.db2.gz XFAZPQQQTOAYNM-PKFHVXLBSA-N 1 3 318.425 0.456 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3CCC[NH2+]3)c2)nn1 ZINC000877208025 668576648 /nfs/dbraw/zinc/57/66/48/668576648.db2.gz QVGSFFMDXLXDPD-CQSZACIVSA-N 1 3 300.366 0.094 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207366 668576807 /nfs/dbraw/zinc/57/68/07/668576807.db2.gz UKNCUDZEMQCMKV-ABAIWWIYSA-N 1 3 314.393 0.340 20 0 DCADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2n[nH]c3c2CNCC3)C1 ZINC000877269585 668588227 /nfs/dbraw/zinc/58/82/27/668588227.db2.gz AMDGVRZJQUOIOV-LLVKDONJSA-N 1 3 311.389 0.833 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928554077 668597994 /nfs/dbraw/zinc/59/79/94/668597994.db2.gz PBYSLIIWIPBWFQ-PYHGIMPFSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928554077 668597995 /nfs/dbraw/zinc/59/79/95/668597995.db2.gz PBYSLIIWIPBWFQ-PYHGIMPFSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928554077 668597998 /nfs/dbraw/zinc/59/79/98/668597998.db2.gz PBYSLIIWIPBWFQ-PYHGIMPFSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928554077 668597999 /nfs/dbraw/zinc/59/79/99/668597999.db2.gz PBYSLIIWIPBWFQ-PYHGIMPFSA-N 1 3 322.453 0.043 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336227 668604072 /nfs/dbraw/zinc/60/40/72/668604072.db2.gz HXQBVQPYFFJTST-HZPDHXFCSA-N 1 3 317.433 0.831 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877338571 668604533 /nfs/dbraw/zinc/60/45/33/668604533.db2.gz HXQBVQPYFFJTST-CVEARBPZSA-N 1 3 317.433 0.831 20 0 DCADHO [NH3+]C[C@@]1(C(=O)NC[C@H]2Cc3ccccc3CN2)CCCOC1 ZINC000877339270 668604957 /nfs/dbraw/zinc/60/49/57/668604957.db2.gz WPMAVJNDOQRWPE-WBVHZDCISA-N 1 3 303.406 0.573 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929094713 668651070 /nfs/dbraw/zinc/65/10/70/668651070.db2.gz ZUAKSGHWISOIFK-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC(C)OC[C@@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000878326403 668712906 /nfs/dbraw/zinc/71/29/06/668712906.db2.gz ZBRQOBWYWJMRCL-YESZJQIVSA-N 1 3 313.486 0.730 20 0 DCADHO CNC(=O)CC[C@@H]1CCCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878612186 668747687 /nfs/dbraw/zinc/74/76/87/668747687.db2.gz XWCDWZJOUSQYEW-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC1 ZINC000782570920 669106038 /nfs/dbraw/zinc/10/60/38/669106038.db2.gz XBGYFQIGDJUBES-KBPBESRZSA-N 1 3 310.442 0.633 20 0 DCADHO O[C@H](C[NH+]1CCC(N2CCCOCC2)CC1)CC1(O)CCC1 ZINC000931285655 669173999 /nfs/dbraw/zinc/17/39/99/669173999.db2.gz RNICXIWQANRBEJ-INIZCTEOSA-N 1 3 312.454 0.839 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585337 669242690 /nfs/dbraw/zinc/24/26/90/669242690.db2.gz PVWNZUIPELAQBQ-GJZGRUSLSA-N 1 3 300.443 0.551 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585337 669242692 /nfs/dbraw/zinc/24/26/92/669242692.db2.gz PVWNZUIPELAQBQ-GJZGRUSLSA-N 1 3 300.443 0.551 20 0 DCADHO Cn1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nn1 ZINC000813010768 670606328 /nfs/dbraw/zinc/60/63/28/670606328.db2.gz VYALZEIQUMAFJF-UHFFFAOYSA-N 1 3 321.429 0.495 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(F)(F)F ZINC000848596246 670700179 /nfs/dbraw/zinc/70/01/79/670700179.db2.gz UQIWGXXTYIJTMN-AEJSXWLSSA-N 1 3 310.320 0.038 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](CO)c1cccnc1 ZINC000849029061 670752770 /nfs/dbraw/zinc/75/27/70/670752770.db2.gz ZWPRMADDTIPWPR-CABCVRRESA-N 1 3 305.426 0.756 20 0 DCADHO CC(C)[C@H](NC=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858927587 671052585 /nfs/dbraw/zinc/05/25/85/671052585.db2.gz NXCVKTMFUHONEO-INIZCTEOSA-N 1 3 324.469 0.432 20 0 DCADHO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CC2(N)CCC2)CC1 ZINC000852746150 671155151 /nfs/dbraw/zinc/15/51/51/671155151.db2.gz FFYWEEUCAKOGBQ-LBPRGKRZSA-N 1 3 312.414 0.147 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)CCO1 ZINC000852754609 671156730 /nfs/dbraw/zinc/15/67/30/671156730.db2.gz XWUWUVIDTBDJED-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H](C)C1 ZINC000820081130 671163671 /nfs/dbraw/zinc/16/36/71/671163671.db2.gz USLPZDPDSRZGPQ-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H](C)C1 ZINC000820081130 671163673 /nfs/dbraw/zinc/16/36/73/671163673.db2.gz USLPZDPDSRZGPQ-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO Cc1nonc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820080846 671163755 /nfs/dbraw/zinc/16/37/55/671163755.db2.gz MSOUIXSOVPUDFX-NSHDSACASA-N 1 3 312.418 0.449 20 0 DCADHO Cc1nonc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820080846 671163757 /nfs/dbraw/zinc/16/37/57/671163757.db2.gz MSOUIXSOVPUDFX-NSHDSACASA-N 1 3 312.418 0.449 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)=NO1 ZINC000852860593 671176678 /nfs/dbraw/zinc/17/66/78/671176678.db2.gz SFWLUXOZPFMLEP-GJZGRUSLSA-N 1 3 316.405 0.871 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CCCCC1 ZINC000827473750 671529050 /nfs/dbraw/zinc/52/90/50/671529050.db2.gz MADXNUVQXPNTFH-ZDUSSCGKSA-N 1 3 308.430 0.621 20 0 DCADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1[nH]nc2c1CNCC2 ZINC000831881215 671689337 /nfs/dbraw/zinc/68/93/37/671689337.db2.gz RMQJJAFAVZBJNI-LBPRGKRZSA-N 1 3 321.425 0.238 20 0 DCADHO COCC[NH2+]CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000834408231 671758967 /nfs/dbraw/zinc/75/89/67/671758967.db2.gz MWKMRQMOQAUEDN-GFCCVEGCSA-N 1 3 314.817 0.786 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842014281 671974189 /nfs/dbraw/zinc/97/41/89/671974189.db2.gz BPRIWUHSKXTLHA-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000842016307 671974777 /nfs/dbraw/zinc/97/47/77/671974777.db2.gz UALKXXBVSQZZKQ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842194183 671992516 /nfs/dbraw/zinc/99/25/16/671992516.db2.gz YBYJSSVZMNRTPV-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2C[NH2+]CCO2)cc(Cl)n1 ZINC000842510806 672015799 /nfs/dbraw/zinc/01/57/99/672015799.db2.gz SWVZMSIFLHBACG-RYUDHWBXSA-N 1 3 312.801 0.538 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000844037601 672141119 /nfs/dbraw/zinc/14/11/19/672141119.db2.gz KQBBAHFGDRACJI-ZDUSSCGKSA-N 1 3 322.453 0.439 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCCCCC[NH3+] ZINC000846347980 672308824 /nfs/dbraw/zinc/30/88/24/672308824.db2.gz LECSHHYREHHTOM-UHFFFAOYSA-N 1 3 312.458 0.566 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001024264190 693805789 /nfs/dbraw/zinc/80/57/89/693805789.db2.gz NDSFAQWRTQHOCP-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001024264190 693805795 /nfs/dbraw/zinc/80/57/95/693805795.db2.gz NDSFAQWRTQHOCP-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000073378234 685076251 /nfs/dbraw/zinc/07/62/51/685076251.db2.gz NCHONXFWZDHCJD-HNNXBMFYSA-N 1 3 322.453 0.237 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000073378234 685076258 /nfs/dbraw/zinc/07/62/58/685076258.db2.gz NCHONXFWZDHCJD-HNNXBMFYSA-N 1 3 322.453 0.237 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000953899656 685893431 /nfs/dbraw/zinc/89/34/31/685893431.db2.gz LOEXIZQTIFUZQN-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953899656 685893433 /nfs/dbraw/zinc/89/34/33/685893433.db2.gz LOEXIZQTIFUZQN-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000954325312 685995823 /nfs/dbraw/zinc/99/58/23/685995823.db2.gz GNCGEWLGKUQCOR-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000954325312 685995825 /nfs/dbraw/zinc/99/58/25/685995825.db2.gz GNCGEWLGKUQCOR-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000955337114 686367408 /nfs/dbraw/zinc/36/74/08/686367408.db2.gz FJTDFZNPUDZEEJ-HIFRSBDPSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000955337114 686367414 /nfs/dbraw/zinc/36/74/14/686367414.db2.gz FJTDFZNPUDZEEJ-HIFRSBDPSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)CN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534873 694109905 /nfs/dbraw/zinc/10/99/05/694109905.db2.gz IELQQFACHLAHDO-KRIMKBQASA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)CN1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534873 694109907 /nfs/dbraw/zinc/10/99/07/694109907.db2.gz IELQQFACHLAHDO-KRIMKBQASA-N 1 3 307.438 0.696 20 0 DCADHO CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000958727024 687880408 /nfs/dbraw/zinc/88/04/08/687880408.db2.gz BZFLUNOHKZXVJO-GOEBONIOSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000958727024 687880415 /nfs/dbraw/zinc/88/04/15/687880415.db2.gz BZFLUNOHKZXVJO-GOEBONIOSA-N 1 3 305.422 0.791 20 0 DCADHO CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000960070302 688293119 /nfs/dbraw/zinc/29/31/19/688293119.db2.gz HQUJZCJMUVCWME-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)C1 ZINC000960329106 688351144 /nfs/dbraw/zinc/35/11/44/688351144.db2.gz KKPKSVSAXQRHHS-NUEKZKHPSA-N 1 3 303.406 0.302 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)C1 ZINC000960329106 688351150 /nfs/dbraw/zinc/35/11/50/688351150.db2.gz KKPKSVSAXQRHHS-NUEKZKHPSA-N 1 3 303.406 0.302 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC000962705738 688969131 /nfs/dbraw/zinc/96/91/31/688969131.db2.gz ZJAFUNVEQDTEQT-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC000962705738 688969134 /nfs/dbraw/zinc/96/91/34/688969134.db2.gz ZJAFUNVEQDTEQT-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000965933194 689586554 /nfs/dbraw/zinc/58/65/54/689586554.db2.gz RXJCTDXYFPKZOF-OPFKTAGGSA-N 1 3 322.453 0.363 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCO)C1 ZINC001039238973 694328812 /nfs/dbraw/zinc/32/88/12/694328812.db2.gz PTJVFPOBXGWJDU-UKRRQHHQSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCO)C1 ZINC001039238973 694328813 /nfs/dbraw/zinc/32/88/13/694328813.db2.gz PTJVFPOBXGWJDU-UKRRQHHQSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC000968672705 690362516 /nfs/dbraw/zinc/36/25/16/690362516.db2.gz KROPBCOUDAOVHN-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC000968922107 690425232 /nfs/dbraw/zinc/42/52/32/690425232.db2.gz QKZSQJRAFWSNAK-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000968967437 690437753 /nfs/dbraw/zinc/43/77/53/690437753.db2.gz OQDXISAVJSVSTG-ZIAGYGMSSA-N 1 3 320.441 0.678 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000968967437 690437756 /nfs/dbraw/zinc/43/77/56/690437756.db2.gz OQDXISAVJSVSTG-ZIAGYGMSSA-N 1 3 320.441 0.678 20 0 DCADHO C[C@H](O)CN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008830482 690931984 /nfs/dbraw/zinc/93/19/84/690931984.db2.gz XXSWPPCLDYHVKW-ZFWWWQNUSA-N 1 3 323.441 0.020 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)N(C)C ZINC001011263943 691497100 /nfs/dbraw/zinc/49/71/00/691497100.db2.gz SVRNMTNHYQKPRX-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015323777 692263187 /nfs/dbraw/zinc/26/31/87/692263187.db2.gz KFDUGWOUGWHBEH-DGNOSDGRSA-N 1 3 305.422 0.450 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015323777 692263193 /nfs/dbraw/zinc/26/31/93/692263193.db2.gz KFDUGWOUGWHBEH-DGNOSDGRSA-N 1 3 305.422 0.450 20 0 DCADHO COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)ccn1 ZINC001018628854 693168629 /nfs/dbraw/zinc/16/86/29/693168629.db2.gz RWXNBYVTBMKSDE-LSDHHAIUSA-N 1 3 318.421 0.875 20 0 DCADHO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001018634609 693170627 /nfs/dbraw/zinc/17/06/27/693170627.db2.gz LTRSXQXHAIVAJG-GJZGRUSLSA-N 1 3 305.426 0.247 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC001019343068 693439392 /nfs/dbraw/zinc/43/93/92/693439392.db2.gz WMLUYGUBPJMSCY-SOUVJXGZSA-N 1 3 324.469 0.384 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001019382804 693456219 /nfs/dbraw/zinc/45/62/19/693456219.db2.gz LGHSFKHSMNNKKQ-CJNGLKHVSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001019382804 693456225 /nfs/dbraw/zinc/45/62/25/693456225.db2.gz LGHSFKHSMNNKKQ-CJNGLKHVSA-N 1 3 319.453 0.761 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2cnn(CC)c2)C1)N(C)C ZINC001019395040 693461130 /nfs/dbraw/zinc/46/11/30/693461130.db2.gz XODNLPJRVFKPMD-HOTGVXAUSA-N 1 3 321.469 0.976 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659488 693558747 /nfs/dbraw/zinc/55/87/47/693558747.db2.gz CXHNBRHFVODVLT-ZDUSSCGKSA-N 1 3 303.410 0.206 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2)N(C)C ZINC001072851316 694674855 /nfs/dbraw/zinc/67/48/55/694674855.db2.gz QUUKVOCOIRZIPB-OAHLLOKOSA-N 1 3 319.453 0.758 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2)N(C)C ZINC001072851316 694674856 /nfs/dbraw/zinc/67/48/56/694674856.db2.gz QUUKVOCOIRZIPB-OAHLLOKOSA-N 1 3 319.453 0.758 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2)N(C)C ZINC001072989964 694692229 /nfs/dbraw/zinc/69/22/29/694692229.db2.gz QOTLDHIEIPZJGX-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2)N(C)C ZINC001072989964 694692232 /nfs/dbraw/zinc/69/22/32/694692232.db2.gz QOTLDHIEIPZJGX-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)[C@H]1CCCN1C ZINC001074564880 694908181 /nfs/dbraw/zinc/90/81/81/694908181.db2.gz IDJMZLOYIYKMCD-CWRNSKLLSA-N 1 3 319.453 0.636 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001074877703 694927815 /nfs/dbraw/zinc/92/78/15/694927815.db2.gz HYECIULPXGGRKH-KKUMJFAQSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H](C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)[NH+]1CCCCCC1 ZINC001074940064 694931100 /nfs/dbraw/zinc/93/11/00/694931100.db2.gz RHXUSLSHJRCFGX-MJBXVCDLSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](C(=O)N1CC[C@H]2CN(CCO)C[C@H]21)[NH+]1CCCCCC1 ZINC001076323850 695014152 /nfs/dbraw/zinc/01/41/52/695014152.db2.gz HVOWUXSYGINDCT-HRCADAONSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCC2CC2)CC1 ZINC001570410656 1162506561 /nfs/dbraw/zinc/50/65/61/1162506561.db2.gz ISMQRBNOFSKCLW-HNNXBMFYSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001571549913 1162806425 /nfs/dbraw/zinc/80/64/25/1162806425.db2.gz IOYGNCIIPXFVQZ-GJZGRUSLSA-N 1 3 322.457 0.493 20 0 DCADHO C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCN(C2CCOCC2)CC1 ZINC001772535008 1157524858 /nfs/dbraw/zinc/52/48/58/1157524858.db2.gz ZFHZIQOPBTVKGY-IRXDYDNUSA-N 1 3 309.454 0.552 20 0 DCADHO CCN1CCC[C@@H]1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000129591916 1157651887 /nfs/dbraw/zinc/65/18/87/1157651887.db2.gz CCPDABQUPIBSHF-MRXNPFEDSA-N 1 3 318.469 0.802 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNCc1cnc(N2CCN(C)CC2)nc1 ZINC000129591916 1157651889 /nfs/dbraw/zinc/65/18/89/1157651889.db2.gz CCPDABQUPIBSHF-MRXNPFEDSA-N 1 3 318.469 0.802 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNCc1cnc(N2CCN(C)CC2)nc1 ZINC000129591916 1157651892 /nfs/dbraw/zinc/65/18/92/1157651892.db2.gz CCPDABQUPIBSHF-MRXNPFEDSA-N 1 3 318.469 0.802 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)C[C@H]1C ZINC001671256456 1158094694 /nfs/dbraw/zinc/09/46/94/1158094694.db2.gz GBKOQYLKZQMZEB-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CN(C)[C@@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)Cc1ccccc1 ZINC001648962056 1158188912 /nfs/dbraw/zinc/18/89/12/1158188912.db2.gz LAEOIOHUNNVHRA-AEFFLSMTSA-N 1 3 319.449 0.780 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001648970656 1158209164 /nfs/dbraw/zinc/20/91/64/1158209164.db2.gz SQNFMNLZNGZSGB-QSJFSLAZSA-N 1 3 307.438 0.888 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001648970655 1158209178 /nfs/dbraw/zinc/20/91/78/1158209178.db2.gz SQNFMNLZNGZSGB-QBYUYEEZSA-N 1 3 307.438 0.888 20 0 DCADHO COCCC1(NC(=O)c2cc3n(n2)CCC[C@@H]3N)CC[NH2+]CC1 ZINC001649049412 1158623591 /nfs/dbraw/zinc/62/35/91/1158623591.db2.gz NZIHPBWQSMPSFZ-LBPRGKRZSA-N 1 3 321.425 0.565 20 0 DCADHO CC[C@H](C)C[C@H](N)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001649061838 1158628602 /nfs/dbraw/zinc/62/86/02/1158628602.db2.gz BCRFTLVBMLNILX-DJUFWWRVSA-N 1 3 311.426 0.489 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001447475951 1159648991 /nfs/dbraw/zinc/64/89/91/1159648991.db2.gz WYGVRKLRFLCBNU-HDJSIYSDSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2nc(C)no2)C1)N(C)C ZINC001566811731 1160159325 /nfs/dbraw/zinc/15/93/25/1160159325.db2.gz XVDDFTOOXFTWNA-MGPQQGTHSA-N 1 3 323.441 0.888 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001567088269 1160236136 /nfs/dbraw/zinc/23/61/36/1160236136.db2.gz JFEVGFBTXZVONA-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)n1 ZINC001567560572 1160420315 /nfs/dbraw/zinc/42/03/15/1160420315.db2.gz JVGBOJACUXDMBK-AWEZNQCLSA-N 1 3 321.469 0.890 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC1CC1 ZINC001568713563 1160746022 /nfs/dbraw/zinc/74/60/22/1160746022.db2.gz HLTIDCDHZYTVBC-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001568714696 1160746299 /nfs/dbraw/zinc/74/62/99/1160746299.db2.gz XVPAARCZRLVKDG-CQSZACIVSA-N 1 3 322.453 0.710 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568872380 1160832430 /nfs/dbraw/zinc/83/24/30/1160832430.db2.gz WOMIVSIDUUEBDX-NQHOJNORSA-N 1 3 322.453 0.259 20 0 DCADHO COc1ccc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001569266783 1160997931 /nfs/dbraw/zinc/99/79/31/1160997931.db2.gz GTFACMCEKFLYDD-ZDUSSCGKSA-N 1 3 321.425 0.375 20 0 DCADHO COc1ccc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001569266783 1160997935 /nfs/dbraw/zinc/99/79/35/1160997935.db2.gz GTFACMCEKFLYDD-ZDUSSCGKSA-N 1 3 321.425 0.375 20 0 DCADHO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@]2(O)CCCNC2)C1 ZINC001573408362 1163430229 /nfs/dbraw/zinc/43/02/29/1163430229.db2.gz XDRWQOVFFBFCSI-WMLDXEAASA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@]2(O)CCCNC2)C1 ZINC001573408362 1163430231 /nfs/dbraw/zinc/43/02/31/1163430231.db2.gz XDRWQOVFFBFCSI-WMLDXEAASA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1cn[nH]n1)C1CC1 ZINC001575420142 1164007390 /nfs/dbraw/zinc/00/73/90/1164007390.db2.gz JEXYYDWBEAAAMB-HUUCEWRRSA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCc1cn[nH]n1)C1CC1 ZINC001575420142 1164007397 /nfs/dbraw/zinc/00/73/97/1164007397.db2.gz JEXYYDWBEAAAMB-HUUCEWRRSA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cn[nH]n2)C1 ZINC001575419522 1164008505 /nfs/dbraw/zinc/00/85/05/1164008505.db2.gz BMHAFWZQSTUVQI-UKRRQHHQSA-N 1 3 320.441 0.758 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cn[nH]n2)C1 ZINC001575419522 1164008509 /nfs/dbraw/zinc/00/85/09/1164008509.db2.gz BMHAFWZQSTUVQI-UKRRQHHQSA-N 1 3 320.441 0.758 20 0 DCADHO CC(C)O[C@]1(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCOC1 ZINC001575749494 1164133867 /nfs/dbraw/zinc/13/38/67/1164133867.db2.gz GNCYRFJCJCLKDX-ZBFHGGJFSA-N 1 3 313.442 0.357 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001576646941 1164422217 /nfs/dbraw/zinc/42/22/17/1164422217.db2.gz BZGYPLHHSSBVNN-XNJGSVPQSA-N 1 3 317.437 0.856 20 0 DCADHO C[C@@H]1NC(=O)N(CCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC001576878474 1164512636 /nfs/dbraw/zinc/51/26/36/1164512636.db2.gz HTMGRSMBZPBGTH-UBHSHLNASA-N 1 3 324.425 0.145 20 0 DCADHO CN(C[C@@H]1CCN1CCc1c[nH]nn1)C(=O)C1CC[NH+](C)CC1 ZINC001576880114 1164512788 /nfs/dbraw/zinc/51/27/88/1164512788.db2.gz QQLIADACVKMPEB-HNNXBMFYSA-N 1 3 320.441 0.222 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCc1c[nH]nn1)C1CC1 ZINC001576907592 1164526905 /nfs/dbraw/zinc/52/69/05/1164526905.db2.gz QPDHAHIQOCGFDV-HUUCEWRRSA-N 1 3 320.441 0.664 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCc1c[nH]nn1)C1CC1 ZINC001576907592 1164526914 /nfs/dbraw/zinc/52/69/14/1164526914.db2.gz QPDHAHIQOCGFDV-HUUCEWRRSA-N 1 3 320.441 0.664 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC(n3cc(CN)nn3)C2)C1 ZINC001577534344 1164716444 /nfs/dbraw/zinc/71/64/44/1164716444.db2.gz WGGBSXDGBNUFGC-LBPRGKRZSA-N 1 3 306.414 0.242 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC(n3cc(CN)nn3)C2)C1 ZINC001577534344 1164716454 /nfs/dbraw/zinc/71/64/54/1164716454.db2.gz WGGBSXDGBNUFGC-LBPRGKRZSA-N 1 3 306.414 0.242 20 0 DCADHO CCN1C[C@@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C(C)(C)C1 ZINC001577760114 1164784476 /nfs/dbraw/zinc/78/44/76/1164784476.db2.gz MLFSXWSDAGKHOV-SMDDNHRTSA-N 1 3 305.426 0.947 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@H]([NH3+])CCSC)CC1 ZINC001577775960 1164789121 /nfs/dbraw/zinc/78/91/21/1164789121.db2.gz SLRMJVKNLPOFCZ-KBPBESRZSA-N 1 3 316.515 0.599 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001578474298 1165028969 /nfs/dbraw/zinc/02/89/69/1165028969.db2.gz VCWPQJJXXBOALM-HZPDHXFCSA-N 1 3 305.422 0.105 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001578533408 1165049349 /nfs/dbraw/zinc/04/93/49/1165049349.db2.gz GCNSYBIJKGUDQJ-WBVHZDCISA-N 1 3 323.485 0.537 20 0 DCADHO CN1CCN(CC2CN(C(=O)C3([NH2+]C4CC4)CCC3)C2)CC1 ZINC001578533798 1165050163 /nfs/dbraw/zinc/05/01/63/1165050163.db2.gz YQRXFIQDNGPROX-UHFFFAOYSA-N 1 3 306.454 0.367 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001579212329 1165239236 /nfs/dbraw/zinc/23/92/36/1165239236.db2.gz RLROMXGCNVJOMS-AWEZNQCLSA-N 1 3 306.410 0.599 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001580206826 1165536559 /nfs/dbraw/zinc/53/65/59/1165536559.db2.gz LNANABAKJRQYKF-BPUTZDHNSA-N 1 3 309.454 0.836 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC001580461457 1165608693 /nfs/dbraw/zinc/60/86/93/1165608693.db2.gz PSNRRYWWBVTRFF-HNNXBMFYSA-N 1 3 319.409 0.716 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC001580461457 1165608696 /nfs/dbraw/zinc/60/86/96/1165608696.db2.gz PSNRRYWWBVTRFF-HNNXBMFYSA-N 1 3 319.409 0.716 20 0 DCADHO O=C(N[C@H]1CCCN(CCCO)C1)c1cccc2c1CC[NH2+]C2 ZINC001580606993 1165654567 /nfs/dbraw/zinc/65/45/67/1165654567.db2.gz HAVAOYJXTYQBOW-HNNXBMFYSA-N 1 3 317.433 0.909 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001580660379 1165676753 /nfs/dbraw/zinc/67/67/53/1165676753.db2.gz AUMBKEBISXACOB-AYDFFVQHSA-N 1 3 308.426 0.433 20 0 DCADHO OCCCN1CCC[C@H](NCc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001580882758 1165752501 /nfs/dbraw/zinc/75/25/01/1165752501.db2.gz CCOBVJVVFLMZSF-LSDHHAIUSA-N 1 3 322.457 0.139 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(=O)OC ZINC001629101006 1171542509 /nfs/dbraw/zinc/54/25/09/1171542509.db2.gz KWSGMQUROSTANE-QWHCGFSZSA-N 1 3 301.431 0.574 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(=O)OC ZINC001629101006 1171542511 /nfs/dbraw/zinc/54/25/11/1171542511.db2.gz KWSGMQUROSTANE-QWHCGFSZSA-N 1 3 301.431 0.574 20 0 DCADHO CC[NH+](CC)CCSCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001635942725 1171718310 /nfs/dbraw/zinc/71/83/10/1171718310.db2.gz YFLBDXDZUDFQAO-ZDUSSCGKSA-N 1 3 315.483 0.651 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1=O ZINC001645583540 1172064705 /nfs/dbraw/zinc/06/47/05/1172064705.db2.gz JNBAWOUBSTTWIP-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1CCCCC[NH2+]1 ZINC001646522385 1172412664 /nfs/dbraw/zinc/41/26/64/1172412664.db2.gz OLYPPCVVWYVTAU-RRFJBIMHSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1[NH2+]CC12CCOCC2 ZINC001646720727 1172490821 /nfs/dbraw/zinc/49/08/21/1172490821.db2.gz HOLKEIJZWVAHIL-HZPDHXFCSA-N 1 3 315.417 0.758 20 0 DCADHO C[C@@H](N)c1nc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cs1 ZINC001646744575 1172506340 /nfs/dbraw/zinc/50/63/40/1172506340.db2.gz ULYFZGURUZHRFV-GHMZBOCLSA-N 1 3 311.455 0.529 20 0 DCADHO COC1CCN(CCNC(=O)C2([C@H](C)[NH3+])CCOCC2)CC1 ZINC001646746766 1172507363 /nfs/dbraw/zinc/50/73/63/1172507363.db2.gz GAXMTNLTNFFCGD-ZDUSSCGKSA-N 1 3 313.442 0.357 20 0 DCADHO O=C([C@H]1CC[NH2+]1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001646810506 1172545337 /nfs/dbraw/zinc/54/53/37/1172545337.db2.gz LTFSOVJKJWAYCH-VNHYZAJKSA-N 1 3 301.390 0.857 20 0 DCADHO C[NH+](C)C1CCN(C(=O)Cc2noc([C@@]3(C)CCCN3)n2)CC1 ZINC001647547802 1172964607 /nfs/dbraw/zinc/96/46/07/1172964607.db2.gz RXTZWFUVRREYTL-MRXNPFEDSA-N 1 3 321.425 0.763 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC1CC1 ZINC001649439684 1173134937 /nfs/dbraw/zinc/13/49/37/1173134937.db2.gz GFDKCODYRNHVEV-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC1CC1 ZINC001649439684 1173134941 /nfs/dbraw/zinc/13/49/41/1173134941.db2.gz GFDKCODYRNHVEV-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)c1ncoc1CN)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001649976218 1173353640 /nfs/dbraw/zinc/35/36/40/1173353640.db2.gz GGAOUJKYWYPAOY-CYBMUJFWSA-N 1 3 321.425 0.374 20 0 DCADHO CN(C(=O)c1ncoc1CN)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001649976218 1173353647 /nfs/dbraw/zinc/35/36/47/1173353647.db2.gz GGAOUJKYWYPAOY-CYBMUJFWSA-N 1 3 321.425 0.374 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001649996615 1173364780 /nfs/dbraw/zinc/36/47/80/1173364780.db2.gz UDGLEGCWPXVRTD-OAHLLOKOSA-N 1 3 323.485 0.407 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001649998820 1173366648 /nfs/dbraw/zinc/36/66/48/1173366648.db2.gz BNEAJIIYCZVLRI-ISXOHVOVSA-N 1 3 322.453 0.905 20 0 DCADHO CSC[C@H](O)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001650159514 1173489002 /nfs/dbraw/zinc/48/90/02/1173489002.db2.gz UFWNAKMPYNBOGA-CVEARBPZSA-N 1 3 310.463 0.937 20 0 DCADHO CSC[C@H](O)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001650159514 1173489004 /nfs/dbraw/zinc/48/90/04/1173489004.db2.gz UFWNAKMPYNBOGA-CVEARBPZSA-N 1 3 310.463 0.937 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001650349036 1173585177 /nfs/dbraw/zinc/58/51/77/1173585177.db2.gz YFJWTMIMXWZPMH-ZDUSSCGKSA-N 1 3 320.462 0.514 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001661294882 1174113286 /nfs/dbraw/zinc/11/32/86/1174113286.db2.gz XNMRDENJTORYDM-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001664160377 1174404160 /nfs/dbraw/zinc/40/41/60/1174404160.db2.gz LPMBSFXGOGIPCC-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001666992080 1174653960 /nfs/dbraw/zinc/65/39/60/1174653960.db2.gz LDHJNRZTFTUIEQ-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001673283884 1175185101 /nfs/dbraw/zinc/18/51/01/1175185101.db2.gz DIYLPLWGXIFKAN-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO COc1ccc(CN(C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001689887658 1177103048 /nfs/dbraw/zinc/10/30/48/1177103048.db2.gz LLOQXTXZJJTYNO-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ccc(CN(C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001689887658 1177103057 /nfs/dbraw/zinc/10/30/57/1177103057.db2.gz LLOQXTXZJJTYNO-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO Cc1noc(CCC[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001690661438 1177299005 /nfs/dbraw/zinc/29/90/05/1177299005.db2.gz JJXKUSRCHMXMMB-KBPBESRZSA-N 1 3 321.425 0.595 20 0 DCADHO Cn1cnnc1CNCCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001698702899 1177612716 /nfs/dbraw/zinc/61/27/16/1177612716.db2.gz KTCOXHOQGSNKGH-UHFFFAOYSA-N 1 3 322.457 0.485 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCCO)[C@H](C)C2)CC1 ZINC001698890741 1177708414 /nfs/dbraw/zinc/70/84/14/1177708414.db2.gz FDMVSTUQHVXZOT-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNCC(=O)N1CCC1)[NH+](C)C ZINC001699305070 1178048087 /nfs/dbraw/zinc/04/80/87/1178048087.db2.gz ZTGPSGUZGKVUSJ-LLYBFZRZSA-N 1 3 310.442 0.067 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)n1 ZINC001699380342 1178111365 /nfs/dbraw/zinc/11/13/65/1178111365.db2.gz JMDIRKWZSMPNNS-UKRRQHHQSA-N 1 3 321.469 0.936 20 0 DCADHO C[C@@H](C[NH2+]CCO[C@H]1CC1(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001699405687 1178122131 /nfs/dbraw/zinc/12/21/31/1178122131.db2.gz GRLLXJIOZGXDNR-RYUDHWBXSA-N 1 3 319.396 0.989 20 0 DCADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)Cc1c[nH]cn1 ZINC001703645317 1179629832 /nfs/dbraw/zinc/62/98/32/1179629832.db2.gz CMNBJDIQOXLDGM-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCCN2C)CC[N@@H+]1C ZINC001704998614 1180215204 /nfs/dbraw/zinc/21/52/04/1180215204.db2.gz RCYVXVYUBDICHZ-SXEWGOIYSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCCN2C)CC[N@H+]1C ZINC001704998614 1180215208 /nfs/dbraw/zinc/21/52/08/1180215208.db2.gz RCYVXVYUBDICHZ-SXEWGOIYSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001720137077 1180539602 /nfs/dbraw/zinc/53/96/02/1180539602.db2.gz GIOWLLOWHWCVPF-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001720137077 1180539607 /nfs/dbraw/zinc/53/96/07/1180539607.db2.gz GIOWLLOWHWCVPF-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CCO)C2)CC1 ZINC001714232357 1181288472 /nfs/dbraw/zinc/28/84/72/1181288472.db2.gz OWJXBBKVGSKENP-INIZCTEOSA-N 1 3 311.470 0.929 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCn1cncn1 ZINC001714797641 1181551919 /nfs/dbraw/zinc/55/19/19/1181551919.db2.gz LZAYBVVMSMZMQB-CQSZACIVSA-N 1 3 308.430 0.201 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001715159836 1181703703 /nfs/dbraw/zinc/70/37/03/1181703703.db2.gz HFPHGITYELBYNB-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCN2C)cn1 ZINC001715630714 1181909654 /nfs/dbraw/zinc/90/96/54/1181909654.db2.gz JYMNRUOCWQRYEK-WFASDCNBSA-N 1 3 305.426 0.864 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001715840911 1182042959 /nfs/dbraw/zinc/04/29/59/1182042959.db2.gz JLHBHMBACUJHOG-UUSXEQNQSA-N 1 3 310.442 0.243 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001715840911 1182042965 /nfs/dbraw/zinc/04/29/65/1182042965.db2.gz JLHBHMBACUJHOG-UUSXEQNQSA-N 1 3 310.442 0.243 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001716010014 1182143493 /nfs/dbraw/zinc/14/34/93/1182143493.db2.gz UBDABSXZSHDOFW-LBPRGKRZSA-N 1 3 310.446 0.329 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001716218187 1182260099 /nfs/dbraw/zinc/26/00/99/1182260099.db2.gz XCCXNVKMTVUALL-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001716788411 1182526165 /nfs/dbraw/zinc/52/61/65/1182526165.db2.gz HROCONTWDPCIDA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001716789560 1182526734 /nfs/dbraw/zinc/52/67/34/1182526734.db2.gz AYUNQJZDYRCEME-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](O)C[NH2+]CCN(CCO)C(=O)C(C)(C)N1CCCCC1 ZINC001717050749 1182649400 /nfs/dbraw/zinc/64/94/00/1182649400.db2.gz HEEPCJAWGVKVQW-AWEZNQCLSA-N 1 3 315.458 0.042 20 0 DCADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]CC1CC2(CCC2)C1 ZINC001717060655 1182658006 /nfs/dbraw/zinc/65/80/06/1182658006.db2.gz DTAXCVDFIWVUMD-UHFFFAOYSA-N 1 3 320.437 0.943 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001720281647 1183547290 /nfs/dbraw/zinc/54/72/90/1183547290.db2.gz HQYGBRXUSWEQAC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001720281647 1183547296 /nfs/dbraw/zinc/54/72/96/1183547296.db2.gz HQYGBRXUSWEQAC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](C(=O)N(CCO)CC[NH2+]C[C@H](C)O)N1CCCCCC1 ZINC001724682225 1184517602 /nfs/dbraw/zinc/51/76/02/1184517602.db2.gz SPUMJADMCLTQIK-LSDHHAIUSA-N 1 3 315.458 0.042 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]CCN(CCO)C(=O)Cc2c[nH]cn2)CCO1 ZINC001724682738 1184518463 /nfs/dbraw/zinc/51/84/63/1184518463.db2.gz ZYTIROSQIZXQTR-ZIAGYGMSSA-N 1 3 324.425 0.178 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001724815307 1184569949 /nfs/dbraw/zinc/56/99/49/1184569949.db2.gz YIXHRRIIKASHBJ-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001724922752 1184621296 /nfs/dbraw/zinc/62/12/96/1184621296.db2.gz NNJNQPOJURYPIF-OKILXGFUSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC/C=C/Cl)CC[N@@H+]1C ZINC001725695166 1184947109 /nfs/dbraw/zinc/94/71/09/1184947109.db2.gz LFNHEAMDKHSHIW-MQGFNKPDSA-N 1 3 303.834 0.488 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNC/C=C/Cl)CC[N@H+]1C ZINC001725695166 1184947113 /nfs/dbraw/zinc/94/71/13/1184947113.db2.gz LFNHEAMDKHSHIW-MQGFNKPDSA-N 1 3 303.834 0.488 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)n1 ZINC001731617829 1185414477 /nfs/dbraw/zinc/41/44/77/1185414477.db2.gz MYSJLUJJIFZUFG-STQMWFEESA-N 1 3 323.441 0.747 20 0 DCADHO Cc1nc(CN2CCC[C@@H]2CCCNC(=O)CC[NH+](C)C)n[nH]1 ZINC001731753287 1185470323 /nfs/dbraw/zinc/47/03/23/1185470323.db2.gz ACVFSAUDNNRBBB-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731911214 1185567778 /nfs/dbraw/zinc/56/77/78/1185567778.db2.gz QBZKQKKIOYULKZ-HNNXBMFYSA-N 1 3 305.426 0.310 20 0 DCADHO CC[C@H](C(=O)N1CCC(CC[NH2+]CC(=O)NC)CC1)N(C)C ZINC001732302273 1185761433 /nfs/dbraw/zinc/76/14/33/1185761433.db2.gz XGWKGZGXDABSFC-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CC[NH2+]CCO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732729098 1185939609 /nfs/dbraw/zinc/93/96/09/1185939609.db2.gz RUJOVIMRWQLIHH-SWLSCSKDSA-N 1 3 303.422 0.676 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001732908198 1186052435 /nfs/dbraw/zinc/05/24/35/1186052435.db2.gz JYVSEXOFXBXAOT-CNBITHIKSA-N 1 3 324.469 0.777 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1)C(=O)N(C)C ZINC001733127012 1186152471 /nfs/dbraw/zinc/15/24/71/1186152471.db2.gz WIBBXHRXUPDFRO-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001733136129 1186158521 /nfs/dbraw/zinc/15/85/21/1186158521.db2.gz ROHYWLYDGOMLTK-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nnsc1CNCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001733142337 1186160262 /nfs/dbraw/zinc/16/02/62/1186160262.db2.gz ASAZSADHPMLCAJ-UHFFFAOYSA-N 1 3 323.466 0.880 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1C[C@]12CCOC2)C(=O)CN1CCCC1 ZINC001733143263 1186160978 /nfs/dbraw/zinc/16/09/78/1186160978.db2.gz GUFQOQPQWHGSKR-RDJZCZTQSA-N 1 3 309.454 0.947 20 0 DCADHO CN(CCC[NH2+]CC(=O)NC1CCCC1)C(=O)CN1CCCC1 ZINC001733144607 1186161586 /nfs/dbraw/zinc/16/15/86/1186161586.db2.gz WFNOABDLTVUJCY-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001733348086 1186237066 /nfs/dbraw/zinc/23/70/66/1186237066.db2.gz XFSDVQJQYWOEGR-AWEZNQCLSA-N 1 3 319.409 0.059 20 0 DCADHO CCN(CC)CC(=O)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001747228892 1188254445 /nfs/dbraw/zinc/25/44/45/1188254445.db2.gz ZSACWCDEZGNSQR-WAYWQWQTSA-N 1 3 322.453 0.213 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001753252442 1188549438 /nfs/dbraw/zinc/54/94/38/1188549438.db2.gz YNDREXOIEQNGND-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001753252442 1188549440 /nfs/dbraw/zinc/54/94/40/1188549440.db2.gz YNDREXOIEQNGND-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCCCO)c2ccccc2)C1 ZINC001753302382 1188560496 /nfs/dbraw/zinc/56/04/96/1188560496.db2.gz AGORNAACHUWDKL-JKSUJKDBSA-N 1 3 305.422 0.768 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCCCO)c2ccccc2)C1 ZINC001753302382 1188560499 /nfs/dbraw/zinc/56/04/99/1188560499.db2.gz AGORNAACHUWDKL-JKSUJKDBSA-N 1 3 305.422 0.768 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001754007398 1188709562 /nfs/dbraw/zinc/70/95/62/1188709562.db2.gz LUTATCINYLJPKQ-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CN(C)C(=O)C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001754395588 1188843830 /nfs/dbraw/zinc/84/38/30/1188843830.db2.gz IIDDQLBYPGBYIG-UHFFFAOYSA-N 1 3 314.474 0.491 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001755236557 1189061996 /nfs/dbraw/zinc/06/19/96/1189061996.db2.gz HQAJTRFTQMBANV-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO COCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001755443770 1189113546 /nfs/dbraw/zinc/11/35/46/1189113546.db2.gz DAPDWROJVXHBBE-DZGCQCFKSA-N 1 3 324.425 0.584 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C)C(N)=O ZINC001755762460 1189203429 /nfs/dbraw/zinc/20/34/29/1189203429.db2.gz CTZIFRLNWDBPAF-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001758089852 1189717498 /nfs/dbraw/zinc/71/74/98/1189717498.db2.gz PHBDEGDXMPNUSO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001758214477 1189784661 /nfs/dbraw/zinc/78/46/61/1189784661.db2.gz GLGWIFAKHUKNAF-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001758214477 1189784668 /nfs/dbraw/zinc/78/46/68/1189784668.db2.gz GLGWIFAKHUKNAF-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO N[C@H]1CCc2cc(C(=O)N[C@H]3CCC[NH2+]CC3)ccc2NC1=O ZINC001772226632 1190635284 /nfs/dbraw/zinc/63/52/84/1190635284.db2.gz LAUHOKFQMREKRK-KBPBESRZSA-N 1 3 316.405 0.771 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC001772235436 1190639070 /nfs/dbraw/zinc/63/90/70/1190639070.db2.gz WEENZIGXCSEXSO-HIFRSBDPSA-N 1 3 308.426 0.188 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@]34CC[C@H]3C[NH2+]C4)CC2)CC1 ZINC001772262850 1190647729 /nfs/dbraw/zinc/64/77/29/1190647729.db2.gz XPKAGGSSQBROOQ-YOEHRIQHSA-N 1 3 306.454 0.224 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001575139880 1163913786 /nfs/dbraw/zinc/91/37/86/1163913786.db2.gz OJNCREAXQFHFRI-LBPRGKRZSA-N 1 3 308.430 0.620 20 0 DCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(CN)ncn2)C1 ZINC001164730764 720511397 /nfs/dbraw/zinc/51/13/97/720511397.db2.gz NJMQAOJJLFAUMZ-LBPRGKRZSA-N 1 3 301.398 0.330 20 0 DCADHO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc2c(n1)CNC2 ZINC001164922351 721862799 /nfs/dbraw/zinc/86/27/99/721862799.db2.gz FWTIZXCFVOOQMW-CABCVRRESA-N 1 3 302.426 0.294 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)s1 ZINC001127475092 751412210 /nfs/dbraw/zinc/41/22/10/751412210.db2.gz QHNPKXWGWOVEDW-CQSZACIVSA-N 1 3 308.451 0.999 20 0 DCADHO COc1cc(CNCCNC(=O)[C@H]2C[NH+]3CCC2CC3)ccn1 ZINC001127475665 751413389 /nfs/dbraw/zinc/41/33/89/751413389.db2.gz YKGSLMYAWKZKFS-HNNXBMFYSA-N 1 3 318.421 0.638 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480487 751414702 /nfs/dbraw/zinc/41/47/02/751414702.db2.gz KLHJNRLEKRZPLR-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NCCNCc2cccnc2)n1 ZINC001127576000 751523773 /nfs/dbraw/zinc/52/37/73/751523773.db2.gz GXZJNXWPJJCKOD-UHFFFAOYSA-N 1 3 316.409 0.359 20 0 DCADHO CC1(C)CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(CCO)C1 ZINC001089722614 751538235 /nfs/dbraw/zinc/53/82/35/751538235.db2.gz BBDNGSOXOCZNKD-AWEZNQCLSA-N 1 3 309.454 0.681 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC001106909740 751540128 /nfs/dbraw/zinc/54/01/28/751540128.db2.gz LBXDRCXMWDFZND-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106910850 751554340 /nfs/dbraw/zinc/55/43/40/751554340.db2.gz RRUYLXDKMSHAAD-HUUCEWRRSA-N 1 3 315.458 0.021 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643834 751602842 /nfs/dbraw/zinc/60/28/42/751602842.db2.gz NEVUYQHSGMOMEX-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643834 751602846 /nfs/dbraw/zinc/60/28/46/751602846.db2.gz NEVUYQHSGMOMEX-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC2CC2)CC[N@@H+]1C ZINC001127706650 751712583 /nfs/dbraw/zinc/71/25/83/751712583.db2.gz PSYFINOKHWSJFF-KWCYVHTRSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC2CC2)CC[N@H+]1C ZINC001127706650 751712585 /nfs/dbraw/zinc/71/25/85/751712585.db2.gz PSYFINOKHWSJFF-KWCYVHTRSA-N 1 3 310.442 0.090 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224433 747025161 /nfs/dbraw/zinc/02/51/61/747025161.db2.gz JSIOWUPNHIIFBR-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167223836 747025947 /nfs/dbraw/zinc/02/59/47/747025947.db2.gz BCPIRXMIFQPVMK-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001067463256 747539844 /nfs/dbraw/zinc/53/98/44/747539844.db2.gz WXHSSLYXDYSSHW-CYBMUJFWSA-N 1 3 321.425 0.211 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001067463256 747539846 /nfs/dbraw/zinc/53/98/46/747539846.db2.gz WXHSSLYXDYSSHW-CYBMUJFWSA-N 1 3 321.425 0.211 20 0 DCADHO CCCCNCc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315369 748123861 /nfs/dbraw/zinc/12/38/61/748123861.db2.gz JNWWTVSECHCNGS-UHFFFAOYSA-N 1 3 322.457 0.893 20 0 DCADHO [NH3+]CCc1nnn(-c2cccc3cc([C@@H]4CNCCO4)cn32)n1 ZINC001167791698 748314237 /nfs/dbraw/zinc/31/42/37/748314237.db2.gz IVLQQEHIFOWQKI-ZDUSSCGKSA-N 1 3 313.365 0.077 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059352033 749016887 /nfs/dbraw/zinc/01/68/87/749016887.db2.gz NSSAXVWQXNWUQG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086558865 761931557 /nfs/dbraw/zinc/93/15/57/761931557.db2.gz XWKOQAXAWSRVPH-XDQVBPFNSA-N 1 3 310.442 0.219 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC001100921726 749562967 /nfs/dbraw/zinc/56/29/67/749562967.db2.gz YXHGVKPTRCTHPL-HSBZDZAISA-N 1 3 306.410 0.782 20 0 DCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563644 750202387 /nfs/dbraw/zinc/20/23/87/750202387.db2.gz YUVPIDCJWOHLHQ-CVEARBPZSA-N 1 3 321.465 0.824 20 0 DCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299617 750332528 /nfs/dbraw/zinc/33/25/28/750332528.db2.gz KDKPDIHSLMRQOU-HUUCEWRRSA-N 1 3 307.438 0.576 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037100 750847726 /nfs/dbraw/zinc/84/77/26/750847726.db2.gz MFWXLZFUFQPPRQ-CVEARBPZSA-N 1 3 310.486 0.811 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037100 750847734 /nfs/dbraw/zinc/84/77/34/750847734.db2.gz MFWXLZFUFQPPRQ-CVEARBPZSA-N 1 3 310.486 0.811 20 0 DCADHO COCCN1CCC(NC(=O)CCSCCC[NH3+])CC1 ZINC001121913255 750942489 /nfs/dbraw/zinc/94/24/89/750942489.db2.gz CFGUJCVOYCRKTB-UHFFFAOYSA-N 1 3 303.472 0.686 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)N(C)C ZINC001106312752 751107341 /nfs/dbraw/zinc/10/73/41/751107341.db2.gz NLNQCACTDMAJQT-MGPQQGTHSA-N 1 3 312.458 0.099 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001127344395 751156993 /nfs/dbraw/zinc/15/69/93/751156993.db2.gz KYUCXNORVBLRHC-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001127344395 751156996 /nfs/dbraw/zinc/15/69/96/751156996.db2.gz KYUCXNORVBLRHC-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001106622745 751207422 /nfs/dbraw/zinc/20/74/22/751207422.db2.gz OGXYAFUQOOTCNS-ZIAGYGMSSA-N 1 3 307.442 0.556 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC001044858279 752904948 /nfs/dbraw/zinc/90/49/48/752904948.db2.gz RATZGYYZWWZYOG-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001045218724 753097587 /nfs/dbraw/zinc/09/75/87/753097587.db2.gz ZIAORAZRBLLULG-HIFRSBDPSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001078200465 753118804 /nfs/dbraw/zinc/11/88/04/753118804.db2.gz ZOBVGLRGRQNXTC-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2)N1CCCC1 ZINC001078700018 753342920 /nfs/dbraw/zinc/34/29/20/753342920.db2.gz FLZDHVPTXXESPJ-CHWSQXEVSA-N 1 3 322.453 0.363 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046010076 753412079 /nfs/dbraw/zinc/41/20/79/753412079.db2.gz HVSVLYYTZKLQNG-SJORKVTESA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046010076 753412086 /nfs/dbraw/zinc/41/20/86/753412086.db2.gz HVSVLYYTZKLQNG-SJORKVTESA-N 1 3 320.481 0.709 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046009908 753412192 /nfs/dbraw/zinc/41/21/92/753412192.db2.gz FUTDTYHGLQUCJY-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046009908 753412195 /nfs/dbraw/zinc/41/21/95/753412195.db2.gz FUTDTYHGLQUCJY-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046063899 753457036 /nfs/dbraw/zinc/45/70/36/753457036.db2.gz BFTFSTAZHJABSS-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046063899 753457042 /nfs/dbraw/zinc/45/70/42/753457042.db2.gz BFTFSTAZHJABSS-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@@H](C)CC ZINC001128774362 754267657 /nfs/dbraw/zinc/26/76/57/754267657.db2.gz QCASXJUVKXKPDK-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@@H](C)CC ZINC001128774362 754267661 /nfs/dbraw/zinc/26/76/61/754267661.db2.gz QCASXJUVKXKPDK-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]([NH2+]Cc1cnns1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066796 754598999 /nfs/dbraw/zinc/59/89/99/754598999.db2.gz PZXYHVLFBHKTBV-OLZOCXBDSA-N 1 3 323.466 0.961 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829684 754965163 /nfs/dbraw/zinc/96/51/63/754965163.db2.gz YTZBONXPWSEHSF-FZKCQIBNSA-N 1 3 307.438 0.650 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829684 754965169 /nfs/dbraw/zinc/96/51/69/754965169.db2.gz YTZBONXPWSEHSF-FZKCQIBNSA-N 1 3 307.438 0.650 20 0 DCADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832503 754966354 /nfs/dbraw/zinc/96/63/54/754966354.db2.gz BZVVUMSJTALBHX-QKPAOTATSA-N 1 3 307.438 0.648 20 0 DCADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832503 754966356 /nfs/dbraw/zinc/96/63/56/754966356.db2.gz BZVVUMSJTALBHX-QKPAOTATSA-N 1 3 307.438 0.648 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057091 755095111 /nfs/dbraw/zinc/09/51/11/755095111.db2.gz LKLWQLMPTSBDLW-QXSJWSMHSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057091 755095114 /nfs/dbraw/zinc/09/51/14/755095114.db2.gz LKLWQLMPTSBDLW-QXSJWSMHSA-N 1 3 309.454 0.896 20 0 DCADHO CN(CC(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1)C1CCC1 ZINC001063401037 755169840 /nfs/dbraw/zinc/16/98/40/755169840.db2.gz XVKYTTVRETWRTG-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)C12CCC[NH+](CCC1)C2 ZINC001097317939 755644669 /nfs/dbraw/zinc/64/46/69/755644669.db2.gz IXXAXTPUZLCYPH-OAGGEKHMSA-N 1 3 321.465 0.966 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079495770 755882187 /nfs/dbraw/zinc/88/21/87/755882187.db2.gz VPENOIHXIFNWCN-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001053038647 755904875 /nfs/dbraw/zinc/90/48/75/755904875.db2.gz JUFDHCJRAWFZOK-HUUCEWRRSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001053038647 755904878 /nfs/dbraw/zinc/90/48/78/755904878.db2.gz JUFDHCJRAWFZOK-HUUCEWRRSA-N 1 3 320.437 0.895 20 0 DCADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079818064 756007271 /nfs/dbraw/zinc/00/72/71/756007271.db2.gz ZHDUBGZNJMYTBZ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079818064 756007278 /nfs/dbraw/zinc/00/72/78/756007278.db2.gz ZHDUBGZNJMYTBZ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079802495 756011668 /nfs/dbraw/zinc/01/16/68/756011668.db2.gz LABCUJYIMLDSFK-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079802495 756011673 /nfs/dbraw/zinc/01/16/73/756011673.db2.gz LABCUJYIMLDSFK-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935280 756390496 /nfs/dbraw/zinc/39/04/96/756390496.db2.gz OYQBEPAJVVPYJY-VNQPRFMTSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935280 756390502 /nfs/dbraw/zinc/39/05/02/756390502.db2.gz OYQBEPAJVVPYJY-VNQPRFMTSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]Cc1cncn1C ZINC001082447688 757136333 /nfs/dbraw/zinc/13/63/33/757136333.db2.gz KLNIGABVVXANIN-YUELXQCFSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cncn1C ZINC001082741919 757253153 /nfs/dbraw/zinc/25/31/53/757253153.db2.gz JZXSGFXLCXNUHK-SQWLQELKSA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166857296 757950880 /nfs/dbraw/zinc/95/08/80/757950880.db2.gz BVASAVSJTFSWQP-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO COC[C@H](C)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778306 758036762 /nfs/dbraw/zinc/03/67/62/758036762.db2.gz PRSHHJWYCBGTDW-RRFJBIMHSA-N 1 3 307.438 0.650 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001157716967 762607613 /nfs/dbraw/zinc/60/76/13/762607613.db2.gz VHZVCEFHQVPPRO-VWYCJHECSA-N 1 3 309.332 0.364 20 0 DCADHO CN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC001051348531 758587304 /nfs/dbraw/zinc/58/73/04/758587304.db2.gz CBEMJYFKQQGURP-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)OCCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985263 759072743 /nfs/dbraw/zinc/07/27/43/759072743.db2.gz AIMLFKKHEAFAMN-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877924 767871050 /nfs/dbraw/zinc/87/10/50/767871050.db2.gz POCSIRLTPRWKDB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877924 767871058 /nfs/dbraw/zinc/87/10/58/767871058.db2.gz POCSIRLTPRWKDB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001147900172 767878449 /nfs/dbraw/zinc/87/84/49/767878449.db2.gz JAOXMTKQTZFRAU-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001147900172 767878455 /nfs/dbraw/zinc/87/84/55/767878455.db2.gz JAOXMTKQTZFRAU-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001086271516 759930279 /nfs/dbraw/zinc/93/02/79/759930279.db2.gz BULRFIGOTAXVGG-TUVASFSCSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001086271516 759930281 /nfs/dbraw/zinc/93/02/81/759930281.db2.gz BULRFIGOTAXVGG-TUVASFSCSA-N 1 3 317.437 0.974 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001086382515 760119429 /nfs/dbraw/zinc/11/94/29/760119429.db2.gz LGMSWBVOEMAHGW-TUVASFSCSA-N 1 3 324.469 0.609 20 0 DCADHO CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086432455 760179919 /nfs/dbraw/zinc/17/99/19/760179919.db2.gz WACNCIPIYVZXEZ-RJZXRHAOSA-N 1 3 307.438 0.744 20 0 DCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001169139876 760594656 /nfs/dbraw/zinc/59/46/56/760594656.db2.gz OJEHSZPNTOLQBE-JYYAWHABSA-N 1 3 320.437 0.034 20 0 DCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001169139876 760594660 /nfs/dbraw/zinc/59/46/60/760594660.db2.gz OJEHSZPNTOLQBE-JYYAWHABSA-N 1 3 320.437 0.034 20 0 DCADHO CC[NH+]1CCC(N2CC[C@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)CC1 ZINC001169254251 760615446 /nfs/dbraw/zinc/61/54/46/760615446.db2.gz AMFQRQBJVKTEDD-GJZGRUSLSA-N 1 3 322.453 0.234 20 0 DCADHO CC(=O)N1CC[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001169563374 760729884 /nfs/dbraw/zinc/72/98/84/760729884.db2.gz NPNVVKKNTOLPGD-KRWDZBQOSA-N 1 3 308.470 0.567 20 0 DCADHO CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769441 761039435 /nfs/dbraw/zinc/03/94/35/761039435.db2.gz RHGDGLQJWJSBLY-YDHLFZDLSA-N 1 3 306.410 0.958 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097318 761081985 /nfs/dbraw/zinc/08/19/85/761081985.db2.gz MBOVKAOASWETKL-KFWWJZLASA-N 1 3 320.441 0.227 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097318 761081995 /nfs/dbraw/zinc/08/19/95/761081995.db2.gz MBOVKAOASWETKL-KFWWJZLASA-N 1 3 320.441 0.227 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001148551038 768013497 /nfs/dbraw/zinc/01/34/97/768013497.db2.gz FCFXWUDIPHBJEB-UHFFFAOYSA-N 1 3 320.441 0.154 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001148551038 768013505 /nfs/dbraw/zinc/01/35/05/768013505.db2.gz FCFXWUDIPHBJEB-UHFFFAOYSA-N 1 3 320.441 0.154 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209317 761136652 /nfs/dbraw/zinc/13/66/52/761136652.db2.gz YOCNDCFUMZQNFF-ILXRZTDVSA-N 1 3 320.441 0.370 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001148651419 768024347 /nfs/dbraw/zinc/02/43/47/768024347.db2.gz GMCJNQSWWJWMTE-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001148651419 768024350 /nfs/dbraw/zinc/02/43/50/768024350.db2.gz GMCJNQSWWJWMTE-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1 ZINC001148639054 768027705 /nfs/dbraw/zinc/02/77/05/768027705.db2.gz ZCYVXSLALWERNC-UHFFFAOYSA-N 1 3 307.442 0.695 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001070871935 761481483 /nfs/dbraw/zinc/48/14/83/761481483.db2.gz IFSTVFYLQPGHOO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099222962 762836791 /nfs/dbraw/zinc/83/67/91/762836791.db2.gz AGSLKTVHQUCJQP-MXWKQRLJSA-N 1 3 309.332 0.052 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC(C)(C)CN2CCO)C1 ZINC001099310743 762859710 /nfs/dbraw/zinc/85/97/10/762859710.db2.gz ULBBWAFMVZNMRA-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC(C)(C)CN2CCO)C1 ZINC001099310743 762859717 /nfs/dbraw/zinc/85/97/17/762859717.db2.gz ULBBWAFMVZNMRA-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC001129444841 762937159 /nfs/dbraw/zinc/93/71/59/762937159.db2.gz YXGUZDRVRSNWLD-RYUDHWBXSA-N 1 3 305.369 0.457 20 0 DCADHO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262616 762907884 /nfs/dbraw/zinc/90/78/84/762907884.db2.gz HEQPXNBKKAVMLC-XUWVNRHRSA-N 1 3 309.454 0.942 20 0 DCADHO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262616 762907887 /nfs/dbraw/zinc/90/78/87/762907887.db2.gz HEQPXNBKKAVMLC-XUWVNRHRSA-N 1 3 309.454 0.942 20 0 DCADHO CN(C)c1cc(C[NH2+]CCNC(=O)CN(C)C2CCC2)ccn1 ZINC001129526710 762951894 /nfs/dbraw/zinc/95/18/94/762951894.db2.gz OOYLFZXYQNJBPU-UHFFFAOYSA-N 1 3 319.453 0.838 20 0 DCADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001129855579 763023979 /nfs/dbraw/zinc/02/39/79/763023979.db2.gz HIYIAUZERBVQOK-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001129855579 763023984 /nfs/dbraw/zinc/02/39/84/763023984.db2.gz HIYIAUZERBVQOK-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001129856194 763026664 /nfs/dbraw/zinc/02/66/64/763026664.db2.gz OEIZKHRHIACOKR-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001129856194 763026670 /nfs/dbraw/zinc/02/66/70/763026670.db2.gz OEIZKHRHIACOKR-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@@H]1n1ccnn1 ZINC001129919342 763050225 /nfs/dbraw/zinc/05/02/25/763050225.db2.gz UTBMTMXVTZRRFV-OLZOCXBDSA-N 1 3 308.430 0.370 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001086997116 768113431 /nfs/dbraw/zinc/11/34/31/768113431.db2.gz LUSRMQWEMVTFPF-CWRNSKLLSA-N 1 3 319.453 0.666 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169222 763161071 /nfs/dbraw/zinc/16/10/71/763161071.db2.gz BGLBBLOJUHYFKS-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157945166 763259849 /nfs/dbraw/zinc/25/98/49/763259849.db2.gz KNELNEGFCNSQOB-LZWOXQAQSA-N 1 3 315.458 0.074 20 0 DCADHO CC[C@@H](C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1)N(C)C ZINC001130430510 763300220 /nfs/dbraw/zinc/30/02/20/763300220.db2.gz BBULQIAABJADBM-OCCSQVGLSA-N 1 3 323.441 0.148 20 0 DCADHO CC[C@@H](C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1)N(C)C ZINC001130430510 763300229 /nfs/dbraw/zinc/30/02/29/763300229.db2.gz BBULQIAABJADBM-OCCSQVGLSA-N 1 3 323.441 0.148 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCc1ccco1 ZINC001130419065 763305034 /nfs/dbraw/zinc/30/50/34/763305034.db2.gz KBAODGZJFHRTAD-UHFFFAOYSA-N 1 3 324.425 0.332 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCc1ccco1 ZINC001130419065 763305025 /nfs/dbraw/zinc/30/50/25/763305025.db2.gz KBAODGZJFHRTAD-UHFFFAOYSA-N 1 3 324.425 0.332 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O)N1CCCC1 ZINC001090488867 763417659 /nfs/dbraw/zinc/41/76/59/763417659.db2.gz GSXAORWMWZHUJR-ZIAGYGMSSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O)N1CCCC1 ZINC001090488867 763417663 /nfs/dbraw/zinc/41/76/63/763417663.db2.gz GSXAORWMWZHUJR-ZIAGYGMSSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O)N1CCCC1 ZINC001090490028 763431444 /nfs/dbraw/zinc/43/14/44/763431444.db2.gz QFXVFWKGPFCCIM-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O)N1CCCC1 ZINC001090490028 763431447 /nfs/dbraw/zinc/43/14/47/763431447.db2.gz QFXVFWKGPFCCIM-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410520 763560401 /nfs/dbraw/zinc/56/04/01/763560401.db2.gz ABNPSRCNJTWHRR-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001100442708 763581938 /nfs/dbraw/zinc/58/19/38/763581938.db2.gz RNJBIFVLOCSJHP-UXUKBGGZSA-N 1 3 310.442 0.090 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CC(NCc2cnnn2C)C1 ZINC001100829805 763812795 /nfs/dbraw/zinc/81/27/95/763812795.db2.gz LWBAZWDGXCHAKI-UHFFFAOYSA-N 1 3 308.430 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CC(NCc2cnnn2C)C1 ZINC001100829805 763812802 /nfs/dbraw/zinc/81/28/02/763812802.db2.gz LWBAZWDGXCHAKI-UHFFFAOYSA-N 1 3 308.430 0.141 20 0 DCADHO Cc1cc(OC2CC[NH2+]CC2)nc(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001170563898 763840577 /nfs/dbraw/zinc/84/05/77/763840577.db2.gz OCFFFRJJXDNZSW-TZMCWYRMSA-N 1 3 321.425 0.705 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001100905073 763849873 /nfs/dbraw/zinc/84/98/73/763849873.db2.gz VFTZSKFVEHUJPB-OPFPJEHXSA-N 1 3 324.469 0.480 20 0 DCADHO COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@@H](C)[C@@H]2CNCCO2)cc1 ZINC001170573193 763881095 /nfs/dbraw/zinc/88/10/95/763881095.db2.gz JPVDBLKZDBKKIL-NOLJZWGESA-N 1 3 321.421 0.766 20 0 DCADHO COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@@H](C)[C@H]2CNCCO2)cc1 ZINC001170573190 763881278 /nfs/dbraw/zinc/88/12/78/763881278.db2.gz JPVDBLKZDBKKIL-DUVNUKRYSA-N 1 3 321.421 0.766 20 0 DCADHO COCCN1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681769 763934322 /nfs/dbraw/zinc/93/43/22/763934322.db2.gz HXRSDPZWSNISSV-GDBMZVCRSA-N 1 3 313.442 0.276 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131791031 764017087 /nfs/dbraw/zinc/01/70/87/764017087.db2.gz ZOMYYLVVGUHEOW-HNNXBMFYSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(C(=O)NCCNCC(=O)NC1CCCC1)[NH+]1CCCC1 ZINC001132284045 764351663 /nfs/dbraw/zinc/35/16/63/764351663.db2.gz TXVPWQJZZSZYFL-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCc1cnn(C)c1 ZINC001132278475 764361282 /nfs/dbraw/zinc/36/12/82/764361282.db2.gz PKFSYYUAOQKSDA-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102495953 764667556 /nfs/dbraw/zinc/66/75/56/764667556.db2.gz VSGUZPJBJCDADJ-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1C ZINC001102495953 764667561 /nfs/dbraw/zinc/66/75/61/764667561.db2.gz VSGUZPJBJCDADJ-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)c2cnccn2)C1 ZINC001132849021 764690960 /nfs/dbraw/zinc/69/09/60/764690960.db2.gz ZBYPOEMOHHKZFZ-ZFWWWQNUSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001132882800 764719197 /nfs/dbraw/zinc/71/91/97/764719197.db2.gz ITBBKMOCKACHGS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCCCC2)CC[N@H+]1C ZINC001132882800 764719201 /nfs/dbraw/zinc/71/92/01/764719201.db2.gz ITBBKMOCKACHGS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102600657 764719765 /nfs/dbraw/zinc/71/97/65/764719765.db2.gz OVGFTPYNQPQFIL-HUUCEWRRSA-N 1 3 315.458 0.020 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102600657 764719769 /nfs/dbraw/zinc/71/97/69/764719769.db2.gz OVGFTPYNQPQFIL-HUUCEWRRSA-N 1 3 315.458 0.020 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993490 764781854 /nfs/dbraw/zinc/78/18/54/764781854.db2.gz WOAHXLMPSLTDBT-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132996969 764783546 /nfs/dbraw/zinc/78/35/46/764783546.db2.gz CERQGFHPVNYRDI-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103005207 764897317 /nfs/dbraw/zinc/89/73/17/764897317.db2.gz WTJUAGSIYBHVNU-APIJFGDWSA-N 1 3 324.469 0.276 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)CC[N@H+]1C ZINC001103005207 764897328 /nfs/dbraw/zinc/89/73/28/764897328.db2.gz WTJUAGSIYBHVNU-APIJFGDWSA-N 1 3 324.469 0.276 20 0 DCADHO C[NH+]1CCC(C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001133281939 764900646 /nfs/dbraw/zinc/90/06/46/764900646.db2.gz UIHACAIRTVCWCU-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NCc1ccccc1 ZINC001133290795 764908359 /nfs/dbraw/zinc/90/83/59/764908359.db2.gz CJNYFAWKBNBCGP-CQSZACIVSA-N 1 3 320.437 0.349 20 0 DCADHO CC[C@@H]1CCCCN1C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290752 764908609 /nfs/dbraw/zinc/90/86/09/764908609.db2.gz AODJNDCAHOVSAZ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO COc1cc(CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C)ccn1 ZINC001133415776 764957239 /nfs/dbraw/zinc/95/72/39/764957239.db2.gz NRDSTHWCGCVETN-OAHLLOKOSA-N 1 3 308.426 0.882 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F)N(C)C ZINC001133419681 764958578 /nfs/dbraw/zinc/95/85/78/764958578.db2.gz UFCDABLXUWJJCE-NWDGAFQWSA-N 1 3 307.385 0.703 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103662603 765103370 /nfs/dbraw/zinc/10/33/70/765103370.db2.gz FPZXNYJBKFFJBZ-ZIAGYGMSSA-N 1 3 312.458 0.278 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103662603 765103377 /nfs/dbraw/zinc/10/33/77/765103377.db2.gz FPZXNYJBKFFJBZ-ZIAGYGMSSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001133853627 765171401 /nfs/dbraw/zinc/17/14/01/765171401.db2.gz MRLDYNLNSJSXRX-ZDUSSCGKSA-N 1 3 318.421 0.333 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCn2cc(Cl)cn2)C1 ZINC001133845811 765178688 /nfs/dbraw/zinc/17/86/88/765178688.db2.gz NRJHFEURCRTDQI-LBPRGKRZSA-N 1 3 313.833 0.584 20 0 DCADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(C)(C)C ZINC001133849738 765181595 /nfs/dbraw/zinc/18/15/95/765181595.db2.gz CTMDEFUDIYITRQ-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC(C)(C)C ZINC001133849738 765181598 /nfs/dbraw/zinc/18/15/98/765181598.db2.gz CTMDEFUDIYITRQ-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001133856824 765182502 /nfs/dbraw/zinc/18/25/02/765182502.db2.gz RZMYMKUZASBTQQ-CZUORRHYSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@@H](NCCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(N)=O ZINC001133893360 765212334 /nfs/dbraw/zinc/21/23/34/765212334.db2.gz FHEYMTAPQOFTCM-OAHLLOKOSA-N 1 3 320.437 0.374 20 0 DCADHO Cn1nccc1CC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896056 765213859 /nfs/dbraw/zinc/21/38/59/765213859.db2.gz BTNLZZQIDNCAAE-UHFFFAOYSA-N 1 3 307.442 0.400 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001133908361 765221365 /nfs/dbraw/zinc/22/13/65/765221365.db2.gz NZXSBIMEVHGTRE-GFCCVEGCSA-N 1 3 300.447 0.147 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001114985080 765545375 /nfs/dbraw/zinc/54/53/75/765545375.db2.gz WPXFZTCDVZPIRY-AIANPOQGSA-N 1 3 311.470 0.926 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001114985080 765545384 /nfs/dbraw/zinc/54/53/84/765545384.db2.gz WPXFZTCDVZPIRY-AIANPOQGSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)C1(N(C)C)CCC1 ZINC001134584172 765580350 /nfs/dbraw/zinc/58/03/50/765580350.db2.gz RHXFNQGCJZJXKO-KBPBESRZSA-N 1 3 322.457 0.635 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001115143897 765606457 /nfs/dbraw/zinc/60/64/57/765606457.db2.gz NHJTWFIGTWQTRM-FOLVSLTJSA-N 1 3 320.441 0.056 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780493 765671125 /nfs/dbraw/zinc/67/11/25/765671125.db2.gz JFVQFNYHCUEMKS-UHFFFAOYSA-N 1 3 312.458 0.196 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124867631 768317192 /nfs/dbraw/zinc/31/71/92/768317192.db2.gz WRIAYYKQYFAPED-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cn1 ZINC001135093055 765800861 /nfs/dbraw/zinc/80/08/61/765800861.db2.gz GVEBMCHTIDQAGJ-HUUCEWRRSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cn1 ZINC001135093055 765800869 /nfs/dbraw/zinc/80/08/69/765800869.db2.gz GVEBMCHTIDQAGJ-HUUCEWRRSA-N 1 3 305.426 0.643 20 0 DCADHO COc1nccc(CN[C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001135371639 765907409 /nfs/dbraw/zinc/90/74/09/765907409.db2.gz HCIXBVQVCOANCX-OLZOCXBDSA-N 1 3 323.441 0.810 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001135512973 765965745 /nfs/dbraw/zinc/96/57/45/765965745.db2.gz CHLGYXWHOZRTOF-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135743088 766085406 /nfs/dbraw/zinc/08/54/06/766085406.db2.gz DUCRLYVYHVVEDY-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092603077 768349812 /nfs/dbraw/zinc/34/98/12/768349812.db2.gz SWTYITVPVQZTDP-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092603077 768349820 /nfs/dbraw/zinc/34/98/20/768349820.db2.gz SWTYITVPVQZTDP-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135977576 766197875 /nfs/dbraw/zinc/19/78/75/766197875.db2.gz VUXSCKVIRJLZPL-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001092658155 768363333 /nfs/dbraw/zinc/36/33/33/768363333.db2.gz JVPVHXDWTKUDEC-OAGGEKHMSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001092658155 768363340 /nfs/dbraw/zinc/36/33/40/768363340.db2.gz JVPVHXDWTKUDEC-OAGGEKHMSA-N 1 3 311.470 0.927 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@H]1CCN(CCC(F)(F)F)C[C@H]1O ZINC001090818255 766631554 /nfs/dbraw/zinc/63/15/54/766631554.db2.gz UMKHRTUAAVLMNT-NWDGAFQWSA-N 1 3 323.359 0.586 20 0 DCADHO CCN1C(=O)CN(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001120255653 766949567 /nfs/dbraw/zinc/94/95/67/766949567.db2.gz LLYCCRGUCQUMIE-MJBXVCDLSA-N 1 3 308.426 0.890 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCO[C@H](C(F)(F)F)C1 ZINC001160706038 767038710 /nfs/dbraw/zinc/03/87/10/767038710.db2.gz VTIPEBYMNLPDPH-MNOVXSKESA-N 1 3 321.343 0.650 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCO[C@H](C(F)(F)F)C1 ZINC001160706038 767038719 /nfs/dbraw/zinc/03/87/19/767038719.db2.gz VTIPEBYMNLPDPH-MNOVXSKESA-N 1 3 321.343 0.650 20 0 DCADHO [NH3+]CCCCCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001120544835 767072269 /nfs/dbraw/zinc/07/22/69/767072269.db2.gz DAXCLKMMPQYQDE-HUUCEWRRSA-N 1 3 312.458 0.746 20 0 DCADHO CN1CCN(CCCCNC(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001120661012 767122032 /nfs/dbraw/zinc/12/20/32/767122032.db2.gz YLJPUIKOPWHVIL-UHFFFAOYSA-N 1 3 323.485 0.583 20 0 DCADHO N[C@@H](C(=O)N1CC[C@]2(C1)CC(F)(F)CO2)C1CC[NH2+]CC1 ZINC001160771844 767303877 /nfs/dbraw/zinc/30/38/77/767303877.db2.gz HQZZWYXIAKXVIJ-DGCLKSJQSA-N 1 3 303.353 0.340 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1 ZINC001160839270 767349328 /nfs/dbraw/zinc/34/93/28/767349328.db2.gz RVUSGJPUUVANRK-TUAOUCFPSA-N 1 3 323.359 0.706 20 0 DCADHO C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121246383 767479826 /nfs/dbraw/zinc/47/98/26/767479826.db2.gz NTPYZLYHSWYPAT-VZDCRRDASA-N 1 3 309.454 0.724 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711763 767509125 /nfs/dbraw/zinc/50/91/25/767509125.db2.gz WPCVMIZDMDNPRG-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711763 767509133 /nfs/dbraw/zinc/50/91/33/767509133.db2.gz WPCVMIZDMDNPRG-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001146711096 767509172 /nfs/dbraw/zinc/50/91/72/767509172.db2.gz OHMFPAWEQQDNGR-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001146711096 767509180 /nfs/dbraw/zinc/50/91/80/767509180.db2.gz OHMFPAWEQQDNGR-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1ccc(CNC2CC3(C2)CC(NC(=O)CC[NH+](C)C)C3)n1 ZINC001121703486 767624099 /nfs/dbraw/zinc/62/40/99/767624099.db2.gz USSPARJGYWGDPQ-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(=O)NC)C2)N(C)C ZINC001121798950 767637043 /nfs/dbraw/zinc/63/70/43/767637043.db2.gz VEBNDXCJFLHAAH-XQEWBXBTSA-N 1 3 324.469 0.478 20 0 DCADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC001121935472 767672878 /nfs/dbraw/zinc/67/28/78/767672878.db2.gz PJSOYJHOWSYDOS-XJIRZWNVSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H](NCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001147340114 767714703 /nfs/dbraw/zinc/71/47/03/767714703.db2.gz LHHCTMZINKLONY-CQSZACIVSA-N 1 3 310.442 0.078 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122195604 767738400 /nfs/dbraw/zinc/73/84/00/767738400.db2.gz KJEFFZICAJLKMA-KRWDZBQOSA-N 1 3 318.465 0.748 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001147449061 767756571 /nfs/dbraw/zinc/75/65/71/767756571.db2.gz GZIWJTUQJBWFFJ-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093821237 768736665 /nfs/dbraw/zinc/73/66/65/768736665.db2.gz XZNVRIFYAOBTLW-MGPQQGTHSA-N 1 3 322.453 0.043 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1[nH]nc2ncccc21 ZINC001149410904 768747231 /nfs/dbraw/zinc/74/72/31/768747231.db2.gz BJLMDGFZWOYDTC-UHFFFAOYSA-N 1 3 303.370 0.635 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149860992 768887728 /nfs/dbraw/zinc/88/77/28/768887728.db2.gz KSYPEFYMJFEFLV-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149860992 768887742 /nfs/dbraw/zinc/88/77/42/768887742.db2.gz KSYPEFYMJFEFLV-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072950 769253338 /nfs/dbraw/zinc/25/33/38/769253338.db2.gz BCMKCTJNCLOIHF-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072950 769253343 /nfs/dbraw/zinc/25/33/43/769253343.db2.gz BCMKCTJNCLOIHF-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO COCCN1CCC(CCOC)(NC(=O)CC[NH+](C)C)CC1 ZINC001151287891 769307208 /nfs/dbraw/zinc/30/72/08/769307208.db2.gz FBYIOHLUNRKJRZ-UHFFFAOYSA-N 1 3 315.458 0.572 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C[C@H](O)COC)N(C)C ZINC001171508622 769311965 /nfs/dbraw/zinc/31/19/65/769311965.db2.gz HFOHHQAHXCJTRJ-SOUVJXGZSA-N 1 3 317.474 0.599 20 0 DCADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)N1CCOCC1)C2 ZINC001172104864 769435544 /nfs/dbraw/zinc/43/55/44/769435544.db2.gz GKFXKSUNTDUEPU-QKDCVEJESA-N 1 3 310.442 0.633 20 0 DCADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCNC(=O)N1CCOCC1)C2 ZINC001172104864 769435575 /nfs/dbraw/zinc/43/55/75/769435575.db2.gz GKFXKSUNTDUEPU-QKDCVEJESA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)c1cccc(CN(C)C)c1)C(=O)N(C)C ZINC001152245416 769514904 /nfs/dbraw/zinc/51/49/04/769514904.db2.gz GFGFXAKCAKFQJD-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO CC[C@H](NCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(N)=O ZINC001152480694 769575132 /nfs/dbraw/zinc/57/51/32/769575132.db2.gz ZOXOCXKZALDZBJ-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO CC[N@@H+]1CC[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001173358789 769603188 /nfs/dbraw/zinc/60/31/88/769603188.db2.gz BOZYYWDUGRLSTK-ZDUSSCGKSA-N 1 3 317.437 0.935 20 0 DCADHO CC[N@H+]1CC[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001173358789 769603190 /nfs/dbraw/zinc/60/31/90/769603190.db2.gz BOZYYWDUGRLSTK-ZDUSSCGKSA-N 1 3 317.437 0.935 20 0 DCADHO COCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345845 769630519 /nfs/dbraw/zinc/63/05/19/769630519.db2.gz LTFZDOJDMVQLNU-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173736670 769705545 /nfs/dbraw/zinc/70/55/45/769705545.db2.gz GKEKHWUZFMFIFS-HOTGVXAUSA-N 1 3 321.473 0.772 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CCCC[NH+]2CCCC2)C1=O ZINC001153314282 769781069 /nfs/dbraw/zinc/78/10/69/769781069.db2.gz HPDCXSPXZZZTKD-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO [NH3+]CC1CN([C@H]2CCCN(Cc3nc4c(s3)CNCC4)C2)C1 ZINC001236079206 769978620 /nfs/dbraw/zinc/97/86/20/769978620.db2.gz MBNJFWUHYYBMEP-ZDUSSCGKSA-N 1 3 321.494 0.644 20 0 DCADHO Cc1cc(NS(=O)(=O)CCN)ccc1OC1CC[NH2+]CC1 ZINC001237921743 770086557 /nfs/dbraw/zinc/08/65/57/770086557.db2.gz MXBJEPHEEYRGND-UHFFFAOYSA-N 1 3 313.423 0.826 20 0 DCADHO CC[C@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001176352155 770092304 /nfs/dbraw/zinc/09/23/04/770092304.db2.gz ZSUZYJVRZKHDAN-AAEUAGOBSA-N 1 3 323.441 0.789 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CCCC1 ZINC001238244203 770110459 /nfs/dbraw/zinc/11/04/59/770110459.db2.gz XQJRTAOCULOFOR-LBPRGKRZSA-N 1 3 301.456 0.723 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)C1CCCC1 ZINC001238244203 770110462 /nfs/dbraw/zinc/11/04/62/770110462.db2.gz XQJRTAOCULOFOR-LBPRGKRZSA-N 1 3 301.456 0.723 20 0 DCADHO NCCS(=O)(=O)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001238753759 770128441 /nfs/dbraw/zinc/12/84/41/770128441.db2.gz WWLWSQIIGBZTRG-UHFFFAOYSA-N 1 3 301.387 0.283 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1cccc2nccnc21 ZINC001238879763 770141462 /nfs/dbraw/zinc/14/14/62/770141462.db2.gz VZCPRVJOBUYZDS-UHFFFAOYSA-N 1 3 323.422 0.237 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753302 770168622 /nfs/dbraw/zinc/16/86/22/770168622.db2.gz FOHMMZLHNDOSPX-UONOGXRCSA-N 1 3 314.474 0.726 20 0 DCADHO CCOC(=O)NC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364362 770211679 /nfs/dbraw/zinc/21/16/79/770211679.db2.gz WFYTVOAGSYFSES-JTQLQIEISA-N 1 3 300.428 0.481 20 0 DCADHO [NH3+]C[C@]1(O)CCCCN(C(=S)NCCN2CCCCC2)C1 ZINC001239405624 770217633 /nfs/dbraw/zinc/21/76/33/770217633.db2.gz DWRLKXSTMYRAQC-OAHLLOKOSA-N 1 3 314.499 0.523 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001176975379 770265976 /nfs/dbraw/zinc/26/59/76/770265976.db2.gz OTNKQILPTAFZDZ-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001176975380 770266739 /nfs/dbraw/zinc/26/67/39/770266739.db2.gz OTNKQILPTAFZDZ-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001176986822 770273270 /nfs/dbraw/zinc/27/32/70/770273270.db2.gz WTYPHVVZXPCJIA-AWEZNQCLSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085505 770392539 /nfs/dbraw/zinc/39/25/39/770392539.db2.gz NZUGWHHRODRVMG-HUUCEWRRSA-N 1 3 317.474 0.408 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085505 770392550 /nfs/dbraw/zinc/39/25/50/770392550.db2.gz NZUGWHHRODRVMG-HUUCEWRRSA-N 1 3 317.474 0.408 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226383 770440128 /nfs/dbraw/zinc/44/01/28/770440128.db2.gz KIUXKUBUDPUXPJ-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155226383 770440132 /nfs/dbraw/zinc/44/01/32/770440132.db2.gz KIUXKUBUDPUXPJ-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO CN(C1CN(C(=O)c2cccc3c[nH+]cn32)C1)[C@H]1CCOC1 ZINC001155793076 770620520 /nfs/dbraw/zinc/62/05/20/770620520.db2.gz JFWNAFLHLPQKCF-ZDUSSCGKSA-N 1 3 300.362 0.879 20 0 DCADHO COc1coc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)cc1=O ZINC001155822211 770629495 /nfs/dbraw/zinc/62/94/95/770629495.db2.gz LEISAFVROJRUJE-CYBMUJFWSA-N 1 3 323.393 0.339 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409301 770806743 /nfs/dbraw/zinc/80/67/43/770806743.db2.gz JLOUJUKFJHUABC-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730753 770848375 /nfs/dbraw/zinc/84/83/75/770848375.db2.gz AUOIULRCVGQRKB-BARDWOONSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730753 770848389 /nfs/dbraw/zinc/84/83/89/770848389.db2.gz AUOIULRCVGQRKB-BARDWOONSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001178754689 770854008 /nfs/dbraw/zinc/85/40/08/770854008.db2.gz BYQIQMRXWZPTEV-KBPBESRZSA-N 1 3 314.474 0.713 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001178815922 770883945 /nfs/dbraw/zinc/88/39/45/770883945.db2.gz OJUVNNKNGYZROB-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC[N@H+](C)CC)[C@H]2C)C1=O ZINC001179861398 771030632 /nfs/dbraw/zinc/03/06/32/771030632.db2.gz UMMLMXUBFCXFHJ-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@H]2C)C1=O ZINC001179861398 771030639 /nfs/dbraw/zinc/03/06/39/771030639.db2.gz UMMLMXUBFCXFHJ-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(=O)NC1CC1 ZINC001180131789 771060922 /nfs/dbraw/zinc/06/09/22/771060922.db2.gz LWSOLHMCURXGND-YDHLFZDLSA-N 1 3 322.453 0.328 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCOCCO ZINC001180123654 771065499 /nfs/dbraw/zinc/06/54/99/771065499.db2.gz JKWKDAXNKKEUCA-UHFFFAOYSA-N 1 3 317.474 0.603 20 0 DCADHO CCN(CC)CC(=O)N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001180388055 771111163 /nfs/dbraw/zinc/11/11/63/771111163.db2.gz LCSUBTUHECAPGM-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)CC(=O)N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001180388055 771111165 /nfs/dbraw/zinc/11/11/65/771111165.db2.gz LCSUBTUHECAPGM-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157730974 771660041 /nfs/dbraw/zinc/66/00/41/771660041.db2.gz QGGASWKFHITIMD-MCIONIFRSA-N 1 3 303.422 0.661 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158083115 771723591 /nfs/dbraw/zinc/72/35/91/771723591.db2.gz UWQHDFAMJLOCPY-UHFFFAOYSA-N 1 3 301.390 0.884 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC001158168715 771733782 /nfs/dbraw/zinc/73/37/82/771733782.db2.gz XYPWTZVDKACXMN-IXDOHACOSA-N 1 3 317.433 0.620 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001158179000 771735150 /nfs/dbraw/zinc/73/51/50/771735150.db2.gz HPNYPOCCEHENKW-KKUMJFAQSA-N 1 3 301.390 0.881 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001158196019 771738412 /nfs/dbraw/zinc/73/84/12/771738412.db2.gz HUXOMXHXPHZBLE-OAHLLOKOSA-N 1 3 305.426 0.358 20 0 DCADHO O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327742 771760375 /nfs/dbraw/zinc/76/03/75/771760375.db2.gz OUKVYMTXRXVXFX-DRRXZNNHSA-N 1 3 313.401 0.319 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)c3ccc4c(n3)CCNC4)C[C@H]2CF)CC1 ZINC001158584149 771792848 /nfs/dbraw/zinc/79/28/48/771792848.db2.gz YYKQDBKWKGCEPV-CHWSQXEVSA-N 1 3 318.396 0.876 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]CCCO ZINC001184566078 771799829 /nfs/dbraw/zinc/79/98/29/771799829.db2.gz OBGDIDLIVIOTKM-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc(CN(C)C)ccn1)CC2 ZINC001158643506 771800440 /nfs/dbraw/zinc/80/04/40/771800440.db2.gz VLRORMMCKWDBNT-YOEHRIQHSA-N 1 3 318.421 0.875 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001184584222 771801925 /nfs/dbraw/zinc/80/19/25/771801925.db2.gz AKOOMNFKGQSXFL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H](F)CN(CC)CC ZINC001159155911 771868141 /nfs/dbraw/zinc/86/81/41/771868141.db2.gz WNGLLUQBYVVBBT-CYBMUJFWSA-N 1 3 318.437 0.288 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(C)(C)C ZINC001185401439 771911847 /nfs/dbraw/zinc/91/18/47/771911847.db2.gz QDSKQBMSTBSQEY-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185445731 771915823 /nfs/dbraw/zinc/91/58/23/771915823.db2.gz DNXCLDQCSTWJFA-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001185456056 771918272 /nfs/dbraw/zinc/91/82/72/771918272.db2.gz YPGKGUOXYWIAOI-MGPQQGTHSA-N 1 3 312.458 0.240 20 0 DCADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(Cl)nc2c1CCNC2 ZINC001159755668 771953213 /nfs/dbraw/zinc/95/32/13/771953213.db2.gz IGQDEEQDQGVUAD-ZWNOBZJWSA-N 1 3 324.812 0.944 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854909 771969052 /nfs/dbraw/zinc/96/90/52/771969052.db2.gz WSCBAUNUZUQXGZ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC001159931226 771979145 /nfs/dbraw/zinc/97/91/45/771979145.db2.gz BEPXVJTXLFZVMW-OLZOCXBDSA-N 1 3 319.396 0.847 20 0 DCADHO C[NH+](C)[C@@H](C(=O)NCCCNCc1cc2n(n1)CCC2)C1CC1 ZINC001159932237 771980000 /nfs/dbraw/zinc/98/00/00/771980000.db2.gz OZHKNNDHIHKVCX-MRXNPFEDSA-N 1 3 319.453 0.765 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)n1 ZINC001159932453 771980324 /nfs/dbraw/zinc/98/03/24/771980324.db2.gz RRBWVRIUWFWGDD-INIZCTEOSA-N 1 3 321.469 0.936 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082655 771997723 /nfs/dbraw/zinc/99/77/23/771997723.db2.gz MLVHMNBAXSODJU-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(CN(C)C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)n(C)n1 ZINC001160474395 772045863 /nfs/dbraw/zinc/04/58/63/772045863.db2.gz CYRCJPOMNJZQSY-CQSZACIVSA-N 1 3 305.426 0.561 20 0 DCADHO Cc1cc(CN(C)C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)n(C)n1 ZINC001160474395 772045870 /nfs/dbraw/zinc/04/58/70/772045870.db2.gz CYRCJPOMNJZQSY-CQSZACIVSA-N 1 3 305.426 0.561 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001186496539 772046314 /nfs/dbraw/zinc/04/63/14/772046314.db2.gz KAZRKXAUGMLBLK-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160582581 772071257 /nfs/dbraw/zinc/07/12/57/772071257.db2.gz OUCWDJOAUIHWAT-XJKCOSOUSA-N 1 3 309.410 0.130 20 0 DCADHO [NH3+]CCCNCC(=O)N1CCN(c2cccc3[nH]ncc32)CC1 ZINC001160666994 772090217 /nfs/dbraw/zinc/09/02/17/772090217.db2.gz BSKWVEQOCSTCQV-UHFFFAOYSA-N 1 3 316.409 0.150 20 0 DCADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160831914 772117641 /nfs/dbraw/zinc/11/76/41/772117641.db2.gz FKUFSCUZZVZFGX-UONOGXRCSA-N 1 3 323.437 0.662 20 0 DCADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160831914 772117643 /nfs/dbraw/zinc/11/76/43/772117643.db2.gz FKUFSCUZZVZFGX-UONOGXRCSA-N 1 3 323.437 0.662 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883611 772132307 /nfs/dbraw/zinc/13/23/07/772132307.db2.gz PNXCUSIOEBNEFG-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](NCc2ccccc2)C(C)(C)[NH3+])CCN1 ZINC001161014789 772149090 /nfs/dbraw/zinc/14/90/90/772149090.db2.gz OPBGNLANWSKFLG-UKRRQHHQSA-N 1 3 304.438 0.702 20 0 DCADHO CC(=O)N(C(C)C)C1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001161047813 772158591 /nfs/dbraw/zinc/15/85/91/772158591.db2.gz LTBFPMDDVRQNBA-HNNXBMFYSA-N 1 3 312.458 0.691 20 0 DCADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161132135 772171993 /nfs/dbraw/zinc/17/19/93/772171993.db2.gz VGVBKZRWRZOHKE-GJZGRUSLSA-N 1 3 312.458 0.515 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)C(C)(C)N(C)CC)C(N)=O ZINC001161226265 772186932 /nfs/dbraw/zinc/18/69/32/772186932.db2.gz APURZMOENYQLPW-CYBMUJFWSA-N 1 3 314.474 0.857 20 0 DCADHO N[C@@H](C(=O)N1CCCN(c2cccnc2)CC1)C1CC[NH2+]CC1 ZINC001161240409 772189373 /nfs/dbraw/zinc/18/93/73/772189373.db2.gz ZYMAIYZJWNQFOG-MRXNPFEDSA-N 1 3 317.437 0.447 20 0 DCADHO CN1CCNC[C@H]1C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430935 772222907 /nfs/dbraw/zinc/22/29/07/772222907.db2.gz QJYFGCGTABTMGU-KRWDZBQOSA-N 1 3 316.449 0.671 20 0 DCADHO CCOC(=O)C[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1C ZINC001161499168 772235724 /nfs/dbraw/zinc/23/57/24/772235724.db2.gz INSCSIPKAOZTCA-MJBXVCDLSA-N 1 3 313.442 0.881 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)c2csc([C@H]3CCCN3)n2)CC12COC2 ZINC001161509836 772236998 /nfs/dbraw/zinc/23/69/98/772236998.db2.gz LJNTVFPDQADAPH-MWLCHTKSSA-N 1 3 308.407 0.367 20 0 DCADHO CN1CCN(CCCNc2c[nH+]ccc2N2CCOCC2)CC1 ZINC001161708439 772269988 /nfs/dbraw/zinc/26/99/88/772269988.db2.gz JMYBOBZPCIDDSI-UHFFFAOYSA-N 1 3 319.453 0.968 20 0 DCADHO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1-n1nccc1CN ZINC001162591615 772395826 /nfs/dbraw/zinc/39/58/26/772395826.db2.gz YCGUYTKMHVAXSQ-KGLIPLIRSA-N 1 3 315.377 0.510 20 0 DCADHO CCOCCN1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189035363 772406453 /nfs/dbraw/zinc/40/64/53/772406453.db2.gz WGYSCDJVGMIMGM-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCC(F)F)C1 ZINC001189391001 772464096 /nfs/dbraw/zinc/46/40/96/772464096.db2.gz VGHVOVBWHDTYII-QWHCGFSZSA-N 1 3 319.396 0.895 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCC(F)F)C1 ZINC001189391001 772464101 /nfs/dbraw/zinc/46/41/01/772464101.db2.gz VGHVOVBWHDTYII-QWHCGFSZSA-N 1 3 319.396 0.895 20 0 DCADHO O=c1[nH]cc2[nH]c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc1-2 ZINC001163272299 772496981 /nfs/dbraw/zinc/49/69/81/772496981.db2.gz VDOJHUZNFWRXBO-ZBEGNZNMSA-N 1 3 302.378 0.896 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189912658 772556848 /nfs/dbraw/zinc/55/68/48/772556848.db2.gz DBKVBVAPUOSQSB-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189912658 772556849 /nfs/dbraw/zinc/55/68/49/772556849.db2.gz DBKVBVAPUOSQSB-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001190443532 772625904 /nfs/dbraw/zinc/62/59/04/772625904.db2.gz IPZPKIISYRJNQN-KBPBESRZSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001190443532 772625907 /nfs/dbraw/zinc/62/59/07/772625907.db2.gz IPZPKIISYRJNQN-KBPBESRZSA-N 1 3 303.422 0.581 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)C1CCC1 ZINC001190674728 772661796 /nfs/dbraw/zinc/66/17/96/772661796.db2.gz CKAGIEWPODKGBJ-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)C1CCC1 ZINC001190674728 772661802 /nfs/dbraw/zinc/66/18/02/772661802.db2.gz CKAGIEWPODKGBJ-OAHLLOKOSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675372 772662761 /nfs/dbraw/zinc/66/27/61/772662761.db2.gz LQXCMPYXRMUADA-GJZGRUSLSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675372 772662762 /nfs/dbraw/zinc/66/27/62/772662762.db2.gz LQXCMPYXRMUADA-GJZGRUSLSA-N 1 3 313.442 0.011 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165484260 772742263 /nfs/dbraw/zinc/74/22/63/772742263.db2.gz BVCNOQWZZPUYKB-JSGCOSHPSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1cc(CNCCCNC(=O)C2CC[NH+](C)CC2)ncn1 ZINC001165775846 772761679 /nfs/dbraw/zinc/76/16/79/772761679.db2.gz AWKSPDJDNQRTBE-UHFFFAOYSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(=O)NC1CC1 ZINC001166626409 772830191 /nfs/dbraw/zinc/83/01/91/772830191.db2.gz FTGQOJAWXNMFLM-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO Cc1nccnc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627259 772831156 /nfs/dbraw/zinc/83/11/56/772831156.db2.gz UFTDFOQQCMJAPH-ZDUSSCGKSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001166633841 772832235 /nfs/dbraw/zinc/83/22/35/772832235.db2.gz KPSMVMZIKQESRR-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCOCC(F)F)C1 ZINC001166678406 772839273 /nfs/dbraw/zinc/83/92/73/772839273.db2.gz UYMGKCQAUORPCY-LBPRGKRZSA-N 1 3 307.385 0.706 20 0 DCADHO Cc1nnsc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677947 772839327 /nfs/dbraw/zinc/83/93/27/772839327.db2.gz QYPVUZCOXXYLQW-LLVKDONJSA-N 1 3 311.455 0.784 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001166678112 772839470 /nfs/dbraw/zinc/83/94/70/772839470.db2.gz SCAPDWSJODKPLJ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](O)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687024 772840090 /nfs/dbraw/zinc/84/00/90/772840090.db2.gz HHSPEHOUCILZOX-IUODEOHRSA-N 1 3 303.422 0.676 20 0 DCADHO Cn1cc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cn1 ZINC001166758500 772856704 /nfs/dbraw/zinc/85/67/04/772856704.db2.gz JYMMOQLOMXFDRV-UHFFFAOYSA-N 1 3 307.442 0.748 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F)N(C)C ZINC001166865547 772872540 /nfs/dbraw/zinc/87/25/40/772872540.db2.gz GOIJCAYZHJETEH-RYUDHWBXSA-N 1 3 307.385 0.847 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203790986 772924710 /nfs/dbraw/zinc/92/47/10/772924710.db2.gz BFCNTWAJZFOLPT-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001203925572 772929713 /nfs/dbraw/zinc/92/97/13/772929713.db2.gz SMOHBFNWOCCHKJ-AWEZNQCLSA-N 1 3 310.442 0.138 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193102616 773005925 /nfs/dbraw/zinc/00/59/25/773005925.db2.gz LDZSOZHHNVAGGO-PKZVNOGPSA-N 1 3 309.454 0.844 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193102616 773005929 /nfs/dbraw/zinc/00/59/29/773005929.db2.gz LDZSOZHHNVAGGO-PKZVNOGPSA-N 1 3 309.454 0.844 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001206301276 773064527 /nfs/dbraw/zinc/06/45/27/773064527.db2.gz MJDSLGIIVQRISC-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CN(CCOCC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194011319 773138040 /nfs/dbraw/zinc/13/80/40/773138040.db2.gz RNLDZCOLTHRCPO-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO CN(CCOCC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194011319 773138043 /nfs/dbraw/zinc/13/80/43/773138043.db2.gz RNLDZCOLTHRCPO-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC001194284636 773176278 /nfs/dbraw/zinc/17/62/78/773176278.db2.gz KORPPRGTJWHUCR-INIZCTEOSA-N 1 3 321.469 0.836 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC001194284636 773176282 /nfs/dbraw/zinc/17/62/82/773176282.db2.gz KORPPRGTJWHUCR-INIZCTEOSA-N 1 3 321.469 0.836 20 0 DCADHO C[NH+]1CCC(CN2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)CC1 ZINC001207396648 773198969 /nfs/dbraw/zinc/19/89/69/773198969.db2.gz OTDOTNPDYMRXEI-BRWVUGGUSA-N 1 3 321.465 0.944 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208280042 773422866 /nfs/dbraw/zinc/42/28/66/773422866.db2.gz XYMAQMCLXFRCSO-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208280042 773422871 /nfs/dbraw/zinc/42/28/71/773422871.db2.gz XYMAQMCLXFRCSO-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208329421 773434962 /nfs/dbraw/zinc/43/49/62/773434962.db2.gz VSMIJBZDJRQBIN-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208373181 773445544 /nfs/dbraw/zinc/44/55/44/773445544.db2.gz HJSLEOWSGPRIFL-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152236531 773461707 /nfs/dbraw/zinc/46/17/07/773461707.db2.gz AUJADETYWPQRBH-UHFFFAOYSA-N 1 3 320.437 0.592 20 0 DCADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492828 773477708 /nfs/dbraw/zinc/47/77/08/773477708.db2.gz QVGNOPBYKZTIEZ-UKRRQHHQSA-N 1 3 307.442 0.351 20 0 DCADHO C[N@@H+]1CCC[C@@H](CN2CCC(NC(=O)N3CCOCC3)CC2)C1 ZINC001208615123 773506167 /nfs/dbraw/zinc/50/61/67/773506167.db2.gz GTIIYTFSFKMLQN-OAHLLOKOSA-N 1 3 324.469 0.834 20 0 DCADHO C[N@H+]1CCC[C@@H](CN2CCC(NC(=O)N3CCOCC3)CC2)C1 ZINC001208615123 773506170 /nfs/dbraw/zinc/50/61/70/773506170.db2.gz GTIIYTFSFKMLQN-OAHLLOKOSA-N 1 3 324.469 0.834 20 0 DCADHO C[C@H](O)CN1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367472 773584834 /nfs/dbraw/zinc/58/48/34/773584834.db2.gz ZCDPZLYONJSMTD-HNNXBMFYSA-N 1 3 320.437 0.823 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001209325301 773592319 /nfs/dbraw/zinc/59/23/19/773592319.db2.gz YITFUOAAOOXJSE-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952351 773662238 /nfs/dbraw/zinc/66/22/38/773662238.db2.gz PSVPDKAQPWSBBP-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952351 773662243 /nfs/dbraw/zinc/66/22/43/773662243.db2.gz PSVPDKAQPWSBBP-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952354 773662270 /nfs/dbraw/zinc/66/22/70/773662270.db2.gz PSVPDKAQPWSBBP-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952354 773662275 /nfs/dbraw/zinc/66/22/75/773662275.db2.gz PSVPDKAQPWSBBP-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)C(C)C ZINC001210189394 773682973 /nfs/dbraw/zinc/68/29/73/773682973.db2.gz DVPOFKLDJJUSPL-DZGCQCFKSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001210217378 773686558 /nfs/dbraw/zinc/68/65/58/773686558.db2.gz HWUFIVQVLRHUNE-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001210493891 773713454 /nfs/dbraw/zinc/71/34/54/773713454.db2.gz OUFHUTRHALSNIN-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001210493891 773713459 /nfs/dbraw/zinc/71/34/59/773713459.db2.gz OUFHUTRHALSNIN-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210745171 773734472 /nfs/dbraw/zinc/73/44/72/773734472.db2.gz YZPGJRWLXWBZFH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NCC)C1 ZINC001210782295 773736035 /nfs/dbraw/zinc/73/60/35/773736035.db2.gz KNFCJILOICWWGD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NCC)C1 ZINC001210782295 773736036 /nfs/dbraw/zinc/73/60/36/773736036.db2.gz KNFCJILOICWWGD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001210774510 773736679 /nfs/dbraw/zinc/73/66/79/773736679.db2.gz VGVVZPFTFKEKJV-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001210774510 773736682 /nfs/dbraw/zinc/73/66/82/773736682.db2.gz VGVVZPFTFKEKJV-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001210788593 773739815 /nfs/dbraw/zinc/73/98/15/773739815.db2.gz GAQHLQVDZSAJFM-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001210796172 773740606 /nfs/dbraw/zinc/74/06/06/773740606.db2.gz DPGMKDSPZSZKFB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001210796172 773740608 /nfs/dbraw/zinc/74/06/08/773740608.db2.gz DPGMKDSPZSZKFB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240779 773784221 /nfs/dbraw/zinc/78/42/21/773784221.db2.gz POAZTBHIMNOXEO-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211251062 773785384 /nfs/dbraw/zinc/78/53/84/773785384.db2.gz ZGGBCTQXRZPTDJ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819798 773812542 /nfs/dbraw/zinc/81/25/42/773812542.db2.gz NNJBNKDAOYNLCC-KSLSASGISA-N 1 3 321.465 0.990 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1O ZINC001198028531 773846875 /nfs/dbraw/zinc/84/68/75/773846875.db2.gz CLJCBIJXUVHWDI-BFHYXJOUSA-N 1 3 303.422 0.628 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1O ZINC001198028531 773846876 /nfs/dbraw/zinc/84/68/76/773846876.db2.gz CLJCBIJXUVHWDI-BFHYXJOUSA-N 1 3 303.422 0.628 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214336091 773960373 /nfs/dbraw/zinc/96/03/73/773960373.db2.gz TZYDXMIELOSFCO-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214344431 773962048 /nfs/dbraw/zinc/96/20/48/773962048.db2.gz SOCCLGWEPVQZPA-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O)[NH+]1CCCC1 ZINC001199127557 774033020 /nfs/dbraw/zinc/03/30/20/774033020.db2.gz HPZOCRKXANHXCS-BZUAXINKSA-N 1 3 309.454 0.678 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001215217354 774051314 /nfs/dbraw/zinc/05/13/14/774051314.db2.gz IDOVXNNPPDUPCI-XPKDYRNWSA-N 1 3 322.453 0.043 20 0 DCADHO C[NH2+][C@H]1C[C@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)C1 ZINC001217956644 774207080 /nfs/dbraw/zinc/20/70/80/774207080.db2.gz VSAALUMYIBNCMN-AVGNSLFASA-N 1 3 307.394 0.479 20 0 DCADHO c1cc(O[C@H]2CC[C@@H]3NCCO[C@@H]32)ccc1CN1CC[NH2+]CC1 ZINC001218118041 774212794 /nfs/dbraw/zinc/21/27/94/774212794.db2.gz AKTGSRDBHAWKBJ-BZSNNMDCSA-N 1 3 317.433 0.990 20 0 DCADHO c1cc(CN2CC[NH2+]CC2)cc(O[C@H]2CC[C@@H]3NCCO[C@H]32)c1 ZINC001218150859 774214272 /nfs/dbraw/zinc/21/42/72/774214272.db2.gz YIWGNEOWEGFCHJ-OKZBNKHCSA-N 1 3 317.433 0.990 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1nnc(Br)s1 ZINC001218511370 774232446 /nfs/dbraw/zinc/23/24/46/774232446.db2.gz POVHMKXRIGMMBV-YFKPBYRVSA-N 1 3 308.205 0.695 20 0 DCADHO Nc1cc(Cl)nc(Cl)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218584484 774256382 /nfs/dbraw/zinc/25/63/82/774256382.db2.gz CDWRWYYTMFNXOQ-LURJTMIESA-N 1 3 316.192 0.718 20 0 DCADHO Nc1ccnc(-c2cc(NC(=O)[C@H](N)CCC[NH3+])ccn2)c1 ZINC001218612158 774263157 /nfs/dbraw/zinc/26/31/57/774263157.db2.gz OOSYKKSGNGJNLD-GFCCVEGCSA-N 1 3 300.366 0.731 20 0 DCADHO N[C@@H](C(=O)Nc1cncc(C[NH3+])c1)C1CCC2(CC1)OCCO2 ZINC001218705488 774284760 /nfs/dbraw/zinc/28/47/60/774284760.db2.gz QZFRYTSUBAFNJB-CQSZACIVSA-N 1 3 320.393 0.739 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218711620 774285558 /nfs/dbraw/zinc/28/55/58/774285558.db2.gz LJMCLRMEOLWWNU-XRRVDJEJSA-N 1 3 306.366 0.805 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ncccc1N1CCOCC1 ZINC001218712328 774286957 /nfs/dbraw/zinc/28/69/57/774286957.db2.gz HDEALLCWWNNAJF-LBPRGKRZSA-N 1 3 307.398 0.313 20 0 DCADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724407 774289219 /nfs/dbraw/zinc/28/92/19/774289219.db2.gz QKQBRMBSHBADKO-NSHDSACASA-N 1 3 313.352 0.930 20 0 DCADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3CNC[C@H](F)C3)cn2)CC1 ZINC001218725678 774289276 /nfs/dbraw/zinc/28/92/76/774289276.db2.gz ZWXBKJJETMHGLD-VXGBXAGGSA-N 1 3 321.400 0.895 20 0 DCADHO CC(=O)N1CCC(n2nccc2NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001218735007 774290902 /nfs/dbraw/zinc/29/09/02/774290902.db2.gz QEXBZFVIKBOFDB-ZDUSSCGKSA-N 1 3 322.413 0.071 20 0 DCADHO N[C@H](C(=O)Nc1ccnn1CC(F)(F)F)C1CC[NH2+]CC1 ZINC001218751825 774298000 /nfs/dbraw/zinc/29/80/00/774298000.db2.gz PNGGEYQMSRJNRQ-JTQLQIEISA-N 1 3 305.304 0.711 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(cnn2CCO)c1 ZINC001218879086 774319068 /nfs/dbraw/zinc/31/90/68/774319068.db2.gz MRLBBCDRMGNSRN-ZDUSSCGKSA-N 1 3 305.382 0.423 20 0 DCADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2COC3(CNC3)CN2)cc1 ZINC001218898343 774323352 /nfs/dbraw/zinc/32/33/52/774323352.db2.gz NYVUXPOIAAQWET-AWEZNQCLSA-N 1 3 318.421 0.192 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001219027964 774350406 /nfs/dbraw/zinc/35/04/06/774350406.db2.gz JISZYBGJIBYJKV-WCQYABFASA-N 1 3 302.334 0.081 20 0 DCADHO COC(=O)c1cc([O-])c(F)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219081424 774361088 /nfs/dbraw/zinc/36/10/88/774361088.db2.gz VZUJMPLVCLHUKC-JTQLQIEISA-N 1 3 313.329 0.713 20 0 DCADHO CN(C)C1(C(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)CCC1 ZINC001200687424 774390146 /nfs/dbraw/zinc/39/01/46/774390146.db2.gz AUMOQSNVVZFNFV-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200703920 774395371 /nfs/dbraw/zinc/39/53/71/774395371.db2.gz FPTTYEIUDBMHOH-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200704574 774395533 /nfs/dbraw/zinc/39/55/33/774395533.db2.gz NEELCLXPOMEFPR-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO CN1CCNC[C@H]1C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236169 774418718 /nfs/dbraw/zinc/41/87/18/774418718.db2.gz NTOQZPFMMPHYCS-CJNGLKHVSA-N 1 3 317.437 0.456 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201065811 774441357 /nfs/dbraw/zinc/44/13/57/774441357.db2.gz ADFIHJDYHKZJHW-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO COCCOc1c(F)cccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219306834 774442732 /nfs/dbraw/zinc/44/27/32/774442732.db2.gz AJOVUYJHPGURPW-LLVKDONJSA-N 1 3 323.368 0.598 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052402 774445568 /nfs/dbraw/zinc/44/55/68/774445568.db2.gz DZKVSUBCKNJLJT-MRXNPFEDSA-N 1 3 324.469 0.432 20 0 DCADHO N[C@H](C(=O)Nc1c(F)cccc1OC1COC1)C1CC[NH2+]CC1 ZINC001219382609 774472399 /nfs/dbraw/zinc/47/23/99/774472399.db2.gz UIXWDSWJOPRZEC-AWEZNQCLSA-N 1 3 323.368 0.869 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNC/C=C/Cl)C1 ZINC001201320365 774487553 /nfs/dbraw/zinc/48/75/53/774487553.db2.gz YDTBSPGPXOEKSR-VUUYWXRKSA-N 1 3 303.834 0.898 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCCO1 ZINC001201344681 774497331 /nfs/dbraw/zinc/49/73/31/774497331.db2.gz VWJMKEHXIGNXJA-HUUCEWRRSA-N 1 3 315.458 0.426 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCCF)C2)C1 ZINC001201402773 774501619 /nfs/dbraw/zinc/50/16/19/774501619.db2.gz GCHDZWXMJSCGSW-CABCVRRESA-N 1 3 315.433 0.895 20 0 DCADHO CC1(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2)COC1 ZINC001219488971 774512861 /nfs/dbraw/zinc/51/28/61/774512861.db2.gz DJGVLYMNLWJSMA-AWEZNQCLSA-N 1 3 301.390 0.722 20 0 DCADHO N[C@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)C1CCOCC1 ZINC001219537185 774528047 /nfs/dbraw/zinc/52/80/47/774528047.db2.gz JNEUIXXRHXUYSR-XFJVYGCCSA-N 1 3 317.389 0.827 20 0 DCADHO COc1ccc(C(=O)CNC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001219560431 774537572 /nfs/dbraw/zinc/53/75/72/774537572.db2.gz VNUKCNAVKCBEMK-HNNXBMFYSA-N 1 3 305.378 0.321 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN1CCCCC1=O ZINC001219569551 774540109 /nfs/dbraw/zinc/54/01/09/774540109.db2.gz WEMHDOPUXQTCNV-AWEZNQCLSA-N 1 3 312.458 0.611 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001219609742 774555909 /nfs/dbraw/zinc/55/59/09/774555909.db2.gz CTGNPYVHDKUYDD-KGYLQXTDSA-N 1 3 321.343 0.556 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NCCc1ccc(C(F)(F)F)nc1 ZINC001219691929 774581272 /nfs/dbraw/zinc/58/12/72/774581272.db2.gz ZXPVNVKTDWSKTG-SNVBAGLBSA-N 1 3 304.316 0.825 20 0 DCADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744172 774597344 /nfs/dbraw/zinc/59/73/44/774597344.db2.gz UIWDLDONDVMCQB-IHRRRGAJSA-N 1 3 313.417 0.742 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219848564 774627164 /nfs/dbraw/zinc/62/71/64/774627164.db2.gz ZDLXMYUMWLHVQW-RUCLQGLUSA-N 1 3 323.437 0.171 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001202359457 774640548 /nfs/dbraw/zinc/64/05/48/774640548.db2.gz SOADZEPXNKARAD-MRXNPFEDSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)[C@H](N)CCC(=O)OCc1ccccc1 ZINC001219916455 774645817 /nfs/dbraw/zinc/64/58/17/774645817.db2.gz WCZPXXTZSDRLKJ-UKRRQHHQSA-N 1 3 321.421 0.904 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219925567 774647920 /nfs/dbraw/zinc/64/79/20/774647920.db2.gz ORMFFUSFIBFSQD-LSDHHAIUSA-N 1 3 315.417 0.981 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2O1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219925567 774647924 /nfs/dbraw/zinc/64/79/24/774647924.db2.gz ORMFFUSFIBFSQD-LSDHHAIUSA-N 1 3 315.417 0.981 20 0 DCADHO N[C@@H](CC(F)F)C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022201 774673025 /nfs/dbraw/zinc/67/30/25/774673025.db2.gz BUSRMXRVFAMVIJ-LBPRGKRZSA-N 1 3 313.348 0.725 20 0 DCADHO Cn1cc2cccc(CNC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)c2n1 ZINC001220143586 774706912 /nfs/dbraw/zinc/70/69/12/774706912.db2.gz NUKPKYZAZRRRNN-RHSMWYFYSA-N 1 3 313.405 0.389 20 0 DCADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CNCc2ccnn2C1 ZINC001220159641 774713555 /nfs/dbraw/zinc/71/35/55/774713555.db2.gz PSNWUZAZBFQJQX-CKEIUWERSA-N 1 3 317.437 0.641 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202496131 774724855 /nfs/dbraw/zinc/72/48/55/774724855.db2.gz OQRIKDBEBIXSAS-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO CCOC(CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)OCC ZINC001220230794 774741142 /nfs/dbraw/zinc/74/11/42/774741142.db2.gz QHENEYYXORVYOC-ZDUSSCGKSA-N 1 3 313.442 0.766 20 0 DCADHO CCOC(CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)OCC ZINC001220230794 774741147 /nfs/dbraw/zinc/74/11/47/774741147.db2.gz QHENEYYXORVYOC-ZDUSSCGKSA-N 1 3 313.442 0.766 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@@H]1O ZINC001220273359 774752330 /nfs/dbraw/zinc/75/23/30/774752330.db2.gz JBXXGXJMBWDAAF-SJORKVTESA-N 1 3 319.449 0.732 20 0 DCADHO O=C(NCc1ncn2c1C[NH2+]CCC2)c1ccc2c(c1)CNC2 ZINC001220313404 774768086 /nfs/dbraw/zinc/76/80/86/774768086.db2.gz OYBOXVWTCMYGTG-UHFFFAOYSA-N 1 3 311.389 0.910 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ncn2c1CNCCC2 ZINC001220313470 774768356 /nfs/dbraw/zinc/76/83/56/774768356.db2.gz QLPTVQOHWHDXSN-AGUYFDCRSA-N 1 3 317.437 0.913 20 0 DCADHO COc1cc2c(cc1C)C[C@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001220379512 774788192 /nfs/dbraw/zinc/78/81/92/774788192.db2.gz WJMZMUAQZINUNF-GJZGRUSLSA-N 1 3 315.417 0.396 20 0 DCADHO N[C@@H](C(=O)NC[C@H](CO)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001220406975 774798942 /nfs/dbraw/zinc/79/89/42/774798942.db2.gz ZNNHVDNEWAQBQJ-GDBMZVCRSA-N 1 3 305.422 0.281 20 0 DCADHO N[C@H](C(=O)NC[C@H](CO)Cc1ccccc1)C1CC[NH2+]CC1 ZINC001220406978 774799265 /nfs/dbraw/zinc/79/92/65/774799265.db2.gz ZNNHVDNEWAQBQJ-ZBFHGGJFSA-N 1 3 305.422 0.281 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C2CC3(CC([NH3+])C3)C2)CCNC1 ZINC001220521900 774833433 /nfs/dbraw/zinc/83/34/33/774833433.db2.gz SNZKGYSCAJLKME-UHFFFAOYSA-N 1 3 307.394 0.431 20 0 DCADHO CCOC(=O)C1=C(NC(=O)c2ccc(CN)nc2)CC[NH2+]C1 ZINC001220525486 774836838 /nfs/dbraw/zinc/83/68/38/774836838.db2.gz GDVMIJDJHCRUEF-UHFFFAOYSA-N 1 3 304.350 0.081 20 0 DCADHO N[C@@H](C(=O)N[C@@H]1CCc2ccc(O)cc2C1)C1CC[NH2+]CC1 ZINC001220591912 774856077 /nfs/dbraw/zinc/85/60/77/774856077.db2.gz BQEAUWPGHLVQJB-GDBMZVCRSA-N 1 3 303.406 0.693 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CN(c2ccccc2)CCO1 ZINC001220737034 774905637 /nfs/dbraw/zinc/90/56/37/774905637.db2.gz ZSDCEMWJOZLZSK-CVEARBPZSA-N 1 3 320.437 0.464 20 0 DCADHO COC1CCC(CCNC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001220754807 774907858 /nfs/dbraw/zinc/90/78/58/774907858.db2.gz QASUOXZTRYWROF-BPCQOVAHSA-N 1 3 303.472 0.717 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786276 774914695 /nfs/dbraw/zinc/91/46/95/774914695.db2.gz SWLGVBWDBAJOJB-SNPRPXQTSA-N 1 3 314.393 0.142 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786276 774914697 /nfs/dbraw/zinc/91/46/97/774914697.db2.gz SWLGVBWDBAJOJB-SNPRPXQTSA-N 1 3 314.393 0.142 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN1CCC(F)(F)C1 ZINC001220808702 774921724 /nfs/dbraw/zinc/92/17/24/774921724.db2.gz VHBQRDDCAJBHKL-ZDUSSCGKSA-N 1 3 320.428 0.939 20 0 DCADHO COC(=O)C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccccn1 ZINC001220900281 774947587 /nfs/dbraw/zinc/94/75/87/774947587.db2.gz GBIPDPRYCRBTBO-ZFWWWQNUSA-N 1 3 320.393 0.129 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918996 774952222 /nfs/dbraw/zinc/95/22/22/774952222.db2.gz OBNIYYRGCYAWPZ-DOMZBBRYSA-N 1 3 305.426 0.803 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918996 774952227 /nfs/dbraw/zinc/95/22/27/774952227.db2.gz OBNIYYRGCYAWPZ-DOMZBBRYSA-N 1 3 305.426 0.803 20 0 DCADHO COc1cccc([C@H](N)CC(=O)NCCO[C@@H]2CC[NH2+]C2)c1 ZINC001220936166 774956671 /nfs/dbraw/zinc/95/66/71/774956671.db2.gz DAXZUNWUKZLDHQ-HUUCEWRRSA-N 1 3 307.394 0.580 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](CCO)c1ccc(N)cc1 ZINC001220953447 774960686 /nfs/dbraw/zinc/96/06/86/774960686.db2.gz RIGSVSORHXSLQC-HOTGVXAUSA-N 1 3 322.453 0.868 20 0 DCADHO Cc1cccc(C(C)(C)CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001220994741 774972169 /nfs/dbraw/zinc/97/21/69/774972169.db2.gz FHCXUHNVPLIQEG-RDTXWAMCSA-N 1 3 316.449 0.983 20 0 DCADHO COc1ncccc1[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001221022138 774981201 /nfs/dbraw/zinc/98/12/01/774981201.db2.gz UKSJSRWEZPVORG-CABCVRRESA-N 1 3 318.421 0.984 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202668134 774985102 /nfs/dbraw/zinc/98/51/02/774985102.db2.gz QMYAMFQKPMWDCL-UHFFFAOYSA-N 1 3 307.398 0.011 20 0 DCADHO CCOc1cccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001221065334 774988854 /nfs/dbraw/zinc/98/88/54/774988854.db2.gz HCFWOFZLDVYBBR-CQSZACIVSA-N 1 3 318.421 0.971 20 0 DCADHO CCOc1cccc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001221065334 774988860 /nfs/dbraw/zinc/98/88/60/774988860.db2.gz HCFWOFZLDVYBBR-CQSZACIVSA-N 1 3 318.421 0.971 20 0 DCADHO COCCC1([NH3+])CCN(C(=O)[C@@H](N)C2CCC(O)CC2)CC1 ZINC001221134519 775002539 /nfs/dbraw/zinc/00/25/39/775002539.db2.gz ZSKNZVDXRPGIBH-RUXDESIVSA-N 1 3 313.442 0.221 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC001221295193 775057341 /nfs/dbraw/zinc/05/73/41/775057341.db2.gz BKJFTZCJTPIXPS-OLZOCXBDSA-N 1 3 307.394 0.789 20 0 DCADHO CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001221305678 775062986 /nfs/dbraw/zinc/06/29/86/775062986.db2.gz GJNHUHMYWTUSPD-JTQLQIEISA-N 1 3 319.471 0.490 20 0 DCADHO COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001221321085 775067211 /nfs/dbraw/zinc/06/72/11/775067211.db2.gz KJEQWDZUXQWDPU-DOMZBBRYSA-N 1 3 321.421 0.819 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221391962 775083523 /nfs/dbraw/zinc/08/35/23/775083523.db2.gz PYZOWZATXKUYMZ-WBMJQRKESA-N 1 3 304.438 0.943 20 0 DCADHO C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221391960 775083841 /nfs/dbraw/zinc/08/38/41/775083841.db2.gz PYZOWZATXKUYMZ-LRDDRELGSA-N 1 3 304.438 0.943 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001221394929 775085306 /nfs/dbraw/zinc/08/53/06/775085306.db2.gz YKQRJLPASUFDSC-STQMWFEESA-N 1 3 314.474 0.839 20 0 DCADHO NC(=[NH2+])NCCCCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221398619 775086527 /nfs/dbraw/zinc/08/65/27/775086527.db2.gz FISSVYJGCRSHGI-AWEZNQCLSA-N 1 3 303.410 0.470 20 0 DCADHO C[NH+](C)CC1CCC(NC(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001221402605 775088185 /nfs/dbraw/zinc/08/81/85/775088185.db2.gz JNGGIEZCJHTDMZ-RKIMZQDBSA-N 1 3 303.472 0.319 20 0 DCADHO O=C(N[C@H](C1CCC1)C1C[NH2+]C1)c1ccc2c(n1)CCNC2 ZINC001221410345 775092605 /nfs/dbraw/zinc/09/26/05/775092605.db2.gz TWIWHAJIMMGZMR-MRXNPFEDSA-N 1 3 300.406 0.845 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N[C@H](C2CCC2)C2C[NH2+]C2)cn1 ZINC001221411134 775092898 /nfs/dbraw/zinc/09/28/98/775092898.db2.gz UKZHLHINPZJZEM-WMLDXEAASA-N 1 3 318.421 0.984 20 0 DCADHO COC[C@H](C)N1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950497 775232584 /nfs/dbraw/zinc/23/25/84/775232584.db2.gz KNGDNSOVCLYZJA-RRFJBIMHSA-N 1 3 313.442 0.132 20 0 DCADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492107 775366679 /nfs/dbraw/zinc/36/66/79/775366679.db2.gz OLNXOBIZKUWVTJ-CRWXNKLISA-N 1 3 302.413 0.503 20 0 DCADHO CC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@@]3(CCCCN3)C2)C1 ZINC001222669078 775410924 /nfs/dbraw/zinc/41/09/24/775410924.db2.gz RLLPOAHJWPZTQX-SJORKVTESA-N 1 3 308.470 0.662 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CCn2cncn2)CC1 ZINC001225582531 775696239 /nfs/dbraw/zinc/69/62/39/775696239.db2.gz OUFYOETUKSACMF-UHFFFAOYSA-N 1 3 322.457 0.447 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCCCC1 ZINC001114618408 775973751 /nfs/dbraw/zinc/97/37/51/775973751.db2.gz CXLRZSMQHPRQLI-FICVDOATSA-N 1 3 309.454 0.537 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001067009845 776613809 /nfs/dbraw/zinc/61/38/09/776613809.db2.gz CQBWQHLBHWVYLN-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001067009845 776613814 /nfs/dbraw/zinc/61/38/14/776613814.db2.gz CQBWQHLBHWVYLN-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317617600 945116878 /nfs/dbraw/zinc/11/68/78/945116878.db2.gz TZPYYRRRVMAYCI-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOCC1CC1 ZINC001266275290 939041468 /nfs/dbraw/zinc/04/14/68/939041468.db2.gz UHRHPULGCUSDKY-INIZCTEOSA-N 1 3 309.454 0.803 20 0 DCADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOCC(F)F ZINC001480865113 939051436 /nfs/dbraw/zinc/05/14/36/939051436.db2.gz BXUBOGHURBMYOQ-CYBMUJFWSA-N 1 3 319.396 0.658 20 0 DCADHO CN1CC[C@H](N2CC[C@@H](CNC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001267305433 939421018 /nfs/dbraw/zinc/42/10/18/939421018.db2.gz AOFREYPXCWMINO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)C1(N(C)C)CCC1 ZINC001408596138 939422091 /nfs/dbraw/zinc/42/20/91/939422091.db2.gz UIAIPFBWJPWAOY-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)C1(N(C)C)CCC1 ZINC001408596138 939422092 /nfs/dbraw/zinc/42/20/92/939422092.db2.gz UIAIPFBWJPWAOY-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CN(C)C1CCC1 ZINC001408669058 939541756 /nfs/dbraw/zinc/54/17/56/939541756.db2.gz AUWIIHQQEWVUBG-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[NH2+]Cc1ccc2nonc2c1)C(=O)[C@H]1CCCN1C ZINC001481215813 939642319 /nfs/dbraw/zinc/64/23/19/939642319.db2.gz OAUMJZMOMLCZLY-OAHLLOKOSA-N 1 3 317.393 0.865 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(=O)NC1CC1 ZINC001481246152 939667609 /nfs/dbraw/zinc/66/76/09/939667609.db2.gz NRIKWDASJHZMLG-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C2CC[NH+](C)CC2)ccn1 ZINC001481276377 939697483 /nfs/dbraw/zinc/69/74/83/939697483.db2.gz VFPIZUBVICNFRT-UHFFFAOYSA-N 1 3 320.437 0.980 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)C(=O)NC1CC1 ZINC001481294502 939724466 /nfs/dbraw/zinc/72/44/66/939724466.db2.gz AFNBEWOGHSVULP-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCn2cccn2)CC1 ZINC001481295361 939725087 /nfs/dbraw/zinc/72/50/87/939725087.db2.gz RYKNEFBRDLBUGN-UHFFFAOYSA-N 1 3 307.442 0.663 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCc1ccnn1C ZINC001268005016 939730710 /nfs/dbraw/zinc/73/07/10/939730710.db2.gz ZYXWCMOAZVGHQR-LSDHHAIUSA-N 1 3 321.469 0.646 20 0 DCADHO CN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001481315018 939742801 /nfs/dbraw/zinc/74/28/01/939742801.db2.gz QMZRKWARYAMJIG-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481436007 939789838 /nfs/dbraw/zinc/78/98/38/939789838.db2.gz WRNIXFUWYLWJHI-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481436007 939789839 /nfs/dbraw/zinc/78/98/39/939789839.db2.gz WRNIXFUWYLWJHI-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481444036 939794683 /nfs/dbraw/zinc/79/46/83/939794683.db2.gz JHTKWXNHNKZLBO-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001273122999 945277277 /nfs/dbraw/zinc/27/72/77/945277277.db2.gz MCGXUZZURROOMS-DZGCQCFKSA-N 1 3 322.453 0.710 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001268399867 940104663 /nfs/dbraw/zinc/10/46/63/940104663.db2.gz NCXZPBHRXRZOJG-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1n[nH]c(C)n1 ZINC001481821150 940150485 /nfs/dbraw/zinc/15/04/85/940150485.db2.gz LTZZOEAFKWXPSP-UONOGXRCSA-N 1 3 322.457 0.972 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1n[nH]c(C)n1 ZINC001481821150 940150486 /nfs/dbraw/zinc/15/04/86/940150486.db2.gz LTZZOEAFKWXPSP-UONOGXRCSA-N 1 3 322.457 0.972 20 0 DCADHO O[C@]1(CN[C@H]2CCNC[C@@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001245971744 945302817 /nfs/dbraw/zinc/30/28/17/945302817.db2.gz GYNAFOWXCDTRIC-ULQDDVLXSA-N 1 3 307.413 0.913 20 0 DCADHO O[C@]1(CN[C@H]2CCNC[C@@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001245971744 945302823 /nfs/dbraw/zinc/30/28/23/945302823.db2.gz GYNAFOWXCDTRIC-ULQDDVLXSA-N 1 3 307.413 0.913 20 0 DCADHO Cc1ccc(OC[C@@H](O)CNC2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245990745 945307040 /nfs/dbraw/zinc/30/70/40/945307040.db2.gz SMZLPZPMAIGXMT-KRWDZBQOSA-N 1 3 319.449 0.761 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)ncn1 ZINC001482143705 940281278 /nfs/dbraw/zinc/28/12/78/940281278.db2.gz OYJLLYDZTVFBLH-ZIAGYGMSSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C/C=C/CNC(=O)CN2CCCC2)n1 ZINC001268624920 940306663 /nfs/dbraw/zinc/30/66/63/940306663.db2.gz ILKANTFWNZNTNK-ONEGZZNKSA-N 1 3 320.441 0.253 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)c1cccc(OC)c1 ZINC001246019595 945316186 /nfs/dbraw/zinc/31/61/86/945316186.db2.gz LFINVHFYSPNLBZ-GJZGRUSLSA-N 1 3 309.410 0.562 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)COc1ccccc1C ZINC001246017812 945316642 /nfs/dbraw/zinc/31/66/42/945316642.db2.gz CNBOUQSJJLBHCX-CABCVRRESA-N 1 3 323.437 0.568 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001268784515 940359326 /nfs/dbraw/zinc/35/93/26/940359326.db2.gz WHVQWKLQLNPLPH-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO Cc1ccc(OC[C@H](O)C[NH2+]CCCC[C@H](N)C(N)=O)cc1 ZINC001246006038 945312626 /nfs/dbraw/zinc/31/26/26/945312626.db2.gz GRHSGDUIXXUJKR-HIFRSBDPSA-N 1 3 309.410 0.307 20 0 DCADHO COC(=O)[C@H](O)CN[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246001114 945312672 /nfs/dbraw/zinc/31/26/72/945312672.db2.gz PTDNLGHBGXGGCC-HUUCEWRRSA-N 1 3 310.369 0.990 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001268838474 940379417 /nfs/dbraw/zinc/37/94/17/940379417.db2.gz BGUICVOTKRMAMP-OAHLLOKOSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CCn2cccn2)C2CC2)CCC1 ZINC001269080263 940612032 /nfs/dbraw/zinc/61/20/32/940612032.db2.gz YIJXNKGOIKVSBQ-HNNXBMFYSA-N 1 3 319.453 0.852 20 0 DCADHO O=C(CC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)N1CCNCC1 ZINC001246108030 945337236 /nfs/dbraw/zinc/33/72/36/945337236.db2.gz JVJZRURTYAFYMJ-SJORKVTESA-N 1 3 316.449 0.891 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246135565 945342121 /nfs/dbraw/zinc/34/21/21/945342121.db2.gz ZRLIJFVKGLVCSH-HEHGZKQESA-N 1 3 311.426 0.171 20 0 DCADHO CC(C)(C(=O)NCC1([NH2+]CC(N)=O)CCCC1)N1CCCCC1 ZINC001482220208 940711207 /nfs/dbraw/zinc/71/12/07/940711207.db2.gz VIIGTEVJLIVJAG-UHFFFAOYSA-N 1 3 324.469 0.755 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH]cn1 ZINC001269741352 940768036 /nfs/dbraw/zinc/76/80/36/940768036.db2.gz OUYLFXSMDMBCTN-GJZGRUSLSA-N 1 3 305.426 0.579 20 0 DCADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH]cn1 ZINC001269741352 940768038 /nfs/dbraw/zinc/76/80/38/940768038.db2.gz OUYLFXSMDMBCTN-GJZGRUSLSA-N 1 3 305.426 0.579 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1cnn(C)c1 ZINC001270193224 940852792 /nfs/dbraw/zinc/85/27/92/940852792.db2.gz IAFGFEZMOPEGBM-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001271931409 941483303 /nfs/dbraw/zinc/48/33/03/941483303.db2.gz PDAPWKPZUKVWQB-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001482840378 941686895 /nfs/dbraw/zinc/68/68/95/941686895.db2.gz UVCBQJDNGFFLJJ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482930276 941715127 /nfs/dbraw/zinc/71/51/27/941715127.db2.gz PMPNBFQFDITRJG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482930276 941715129 /nfs/dbraw/zinc/71/51/29/941715129.db2.gz PMPNBFQFDITRJG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNCC(=O)N1CCCC1)[NH+](C)C ZINC001483057898 941815175 /nfs/dbraw/zinc/81/51/75/941815175.db2.gz RXHFSZFFJJUOKV-SQRWCISFSA-N 1 3 324.469 0.457 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001409268416 941821716 /nfs/dbraw/zinc/82/17/16/941821716.db2.gz ADZUNMMOYNTIFA-JXQTWKCFSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483161221 941916651 /nfs/dbraw/zinc/91/66/51/941916651.db2.gz ZBSGCEBUALQQDG-RFGFWPKPSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483161221 941916652 /nfs/dbraw/zinc/91/66/52/941916652.db2.gz ZBSGCEBUALQQDG-RFGFWPKPSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCn1cccn1 ZINC001409470287 942011117 /nfs/dbraw/zinc/01/11/17/942011117.db2.gz QENABOLTQQFMAE-VXGBXAGGSA-N 1 3 304.398 0.640 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001483296650 942249536 /nfs/dbraw/zinc/24/95/36/942249536.db2.gz MYBVKQWEHLGQNQ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001483560277 942418470 /nfs/dbraw/zinc/41/84/70/942418470.db2.gz DJKIXAWLFPLJDR-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001127067074 942427316 /nfs/dbraw/zinc/42/73/16/942427316.db2.gz VYCSWYBWEYPOGU-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001127067074 942427320 /nfs/dbraw/zinc/42/73/20/942427320.db2.gz VYCSWYBWEYPOGU-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCCF)[NH+]1CCCCC1 ZINC001272582891 942847935 /nfs/dbraw/zinc/84/79/35/942847935.db2.gz CPIKICLYOBXRKS-KGLIPLIRSA-N 1 3 303.422 0.533 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](NC(=O)CC[NH+](C)C)C(C)C ZINC001409894546 942881069 /nfs/dbraw/zinc/88/10/69/942881069.db2.gz GGUNSMPMKTWMOY-CQSZACIVSA-N 1 3 323.441 0.469 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCN(CC(N)=O)C2)CC1 ZINC001483799718 942960782 /nfs/dbraw/zinc/96/07/82/942960782.db2.gz RQUFOTWAYXMHEP-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC)CC[N@@H+]1C ZINC001483928949 943031160 /nfs/dbraw/zinc/03/11/60/943031160.db2.gz DVBILRQUXOFQFA-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC)CC[N@H+]1C ZINC001483928949 943031168 /nfs/dbraw/zinc/03/11/68/943031168.db2.gz DVBILRQUXOFQFA-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483930638 943032082 /nfs/dbraw/zinc/03/20/82/943032082.db2.gz DEJXXTBRVSWTNQ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483930638 943032086 /nfs/dbraw/zinc/03/20/86/943032086.db2.gz DEJXXTBRVSWTNQ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1 ZINC001483959323 943046365 /nfs/dbraw/zinc/04/63/65/943046365.db2.gz QOLDZUQNCDCIHQ-AWEZNQCLSA-N 1 3 308.430 0.199 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001483959499 943047340 /nfs/dbraw/zinc/04/73/40/943047340.db2.gz VZBLDWBHTKVOGD-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2cccnc2)C1 ZINC001484207700 943200873 /nfs/dbraw/zinc/20/08/73/943200873.db2.gz IXQZIQDFKGPYNG-DOTOQJQBSA-N 1 3 318.421 0.229 20 0 DCADHO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001484207700 943200878 /nfs/dbraw/zinc/20/08/78/943200878.db2.gz IXQZIQDFKGPYNG-DOTOQJQBSA-N 1 3 318.421 0.229 20 0 DCADHO COc1nccc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)n1 ZINC001276386905 943605371 /nfs/dbraw/zinc/60/53/71/943605371.db2.gz RLQVNEXINDQLOL-UHFFFAOYSA-N 1 3 321.425 0.519 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001490927789 943680211 /nfs/dbraw/zinc/68/02/11/943680211.db2.gz CHFWPAZXBDSBIW-TUVASFSCSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001491416815 943980359 /nfs/dbraw/zinc/98/03/59/943980359.db2.gz FKHLLXKKFTWPTH-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCn1cncn1 ZINC001491455748 944012214 /nfs/dbraw/zinc/01/22/14/944012214.db2.gz JKEZCWIUPKHLHM-AWEZNQCLSA-N 1 3 322.457 0.637 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)N[C@@H]1CCNC1=O ZINC001491503559 944056182 /nfs/dbraw/zinc/05/61/82/944056182.db2.gz BGIKJONPHNBMBP-TZMCWYRMSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)N[C@@H]1CCNC1=O ZINC001491503559 944056183 /nfs/dbraw/zinc/05/61/83/944056183.db2.gz BGIKJONPHNBMBP-TZMCWYRMSA-N 1 3 324.469 0.622 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491539052 944083889 /nfs/dbraw/zinc/08/38/89/944083889.db2.gz PKDBOJKRYPPTNH-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC001203010846 944142747 /nfs/dbraw/zinc/14/27/47/944142747.db2.gz XELCGPZDROCPCP-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO CCN(CCN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890590 944154979 /nfs/dbraw/zinc/15/49/79/944154979.db2.gz PSCOOKUNHDJZAN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890590 944154987 /nfs/dbraw/zinc/15/49/87/944154987.db2.gz PSCOOKUNHDJZAN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890296 944155554 /nfs/dbraw/zinc/15/55/54/944155554.db2.gz LKWIUAUKFIHKFZ-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890296 944155556 /nfs/dbraw/zinc/15/55/56/944155556.db2.gz LKWIUAUKFIHKFZ-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000715511876 944232009 /nfs/dbraw/zinc/23/20/09/944232009.db2.gz NDKDFGIQVHCDGK-KBPBESRZSA-N 1 3 303.472 0.873 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCn1cncn1 ZINC001485882966 944379162 /nfs/dbraw/zinc/37/91/62/944379162.db2.gz YGKAOYATTPVOLN-ZDUSSCGKSA-N 1 3 308.430 0.199 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N(C)C ZINC001485886784 944383294 /nfs/dbraw/zinc/38/32/94/944383294.db2.gz ZZPQFWWUHRUSSG-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N(C)C ZINC001485886784 944383300 /nfs/dbraw/zinc/38/33/00/944383300.db2.gz ZZPQFWWUHRUSSG-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C(=O)N(C)C[C@@H](O)CNCCF)[NH+]1CCCCCC1 ZINC001486303831 944748278 /nfs/dbraw/zinc/74/82/78/944748278.db2.gz XDBOQFPGSVKZMI-KGLIPLIRSA-N 1 3 303.422 0.629 20 0 DCADHO CN(C[C@@H](O)CNCc1cncs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486317968 944763179 /nfs/dbraw/zinc/76/31/79/944763179.db2.gz RMZXFRGSTVAJIO-RYUDHWBXSA-N 1 3 312.439 0.004 20 0 DCADHO CN(C[C@@H](O)CNCc1cncs1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486317968 944763183 /nfs/dbraw/zinc/76/31/83/944763183.db2.gz RMZXFRGSTVAJIO-RYUDHWBXSA-N 1 3 312.439 0.004 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1)N(C)C ZINC001317060924 944766909 /nfs/dbraw/zinc/76/69/09/944766909.db2.gz PTKWMODPDGNDCX-YNEHKIRRSA-N 1 3 319.396 0.941 20 0 DCADHO C[C@@H](O)CN(CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835647 944831531 /nfs/dbraw/zinc/83/15/31/944831531.db2.gz PUQZTJFQQKLUJM-OAHLLOKOSA-N 1 3 322.453 0.722 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001486412304 944863140 /nfs/dbraw/zinc/86/31/40/944863140.db2.gz WTEBUOVXCGLRRK-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001486409933 944864031 /nfs/dbraw/zinc/86/40/31/944864031.db2.gz JYIKJSMUEHCDLL-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)N2CCC2)C(C)(C)C)C1 ZINC001486424317 944870706 /nfs/dbraw/zinc/87/07/06/944870706.db2.gz RKUJAZRLLBNHHT-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)N2CCC2)C(C)(C)C)C1 ZINC001486424317 944870715 /nfs/dbraw/zinc/87/07/15/944870715.db2.gz RKUJAZRLLBNHHT-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1 ZINC001277544881 944874637 /nfs/dbraw/zinc/87/46/37/944874637.db2.gz VACLRQZXIHJRQP-GOOCMWNKSA-N 1 3 305.426 0.556 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317297341 944904448 /nfs/dbraw/zinc/90/44/48/944904448.db2.gz UUBPMEROEJNNSK-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCC[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(N)=O ZINC001486482426 944916137 /nfs/dbraw/zinc/91/61/37/944916137.db2.gz DGBFYLBOTQHDQF-NRXISQOPSA-N 1 3 324.469 0.705 20 0 DCADHO CN(CCOCC[NH2+]Cc1cnn(C)c1)C(=O)[C@H]1CCCN1C ZINC001486496015 944927434 /nfs/dbraw/zinc/92/74/34/944927434.db2.gz IGPQJBAOYHTAAI-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO O=C1CC[C@H]([NH2+][C@H]2CNC[C@H]2CO)CCN1Cc1ccccc1 ZINC001246301140 945379527 /nfs/dbraw/zinc/37/95/27/945379527.db2.gz VRIHBKDXKUSJJA-ULQDDVLXSA-N 1 3 317.433 0.738 20 0 DCADHO c1cncc([C@@H]2NCC[C@@H]2C[NH2+]C2C[C@@H]3COC[C@H](C2)N3)c1 ZINC001246342310 945389812 /nfs/dbraw/zinc/38/98/12/945389812.db2.gz SGPGQGXYJZLPLE-ZCRFILTFSA-N 1 3 302.422 0.841 20 0 DCADHO O=C1CNCCN1CCN[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246358196 945392731 /nfs/dbraw/zinc/39/27/31/945392731.db2.gz YKHOLNQFOAKRRN-IAGOWNOFSA-N 1 3 316.449 0.371 20 0 DCADHO O=S1(=O)CCC(Cc2cccnc2)([NH2+][C@@H]2CCCNC2)CC1 ZINC001246390192 945402561 /nfs/dbraw/zinc/40/25/61/945402561.db2.gz JAOVJEPXQVVRCO-OAHLLOKOSA-N 1 3 323.462 0.913 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(C3=CC=C(N)CN3)CC2)CCN1 ZINC001246496221 945419250 /nfs/dbraw/zinc/41/92/50/945419250.db2.gz SZOXTJZMKBAXDB-HOCLYGCPSA-N 1 3 320.437 0.322 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](F)[C@@H](N)CC2)C[C@@H]1C(=O)OC ZINC001246566246 945433414 /nfs/dbraw/zinc/43/34/14/945433414.db2.gz FIUWGPJHEJAMHN-LBELIVKGSA-N 1 3 316.373 0.488 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](F)[C@@H](N)CC2)C[C@@H]1C(=O)OC ZINC001246566246 945433417 /nfs/dbraw/zinc/43/34/17/945433417.db2.gz FIUWGPJHEJAMHN-LBELIVKGSA-N 1 3 316.373 0.488 20 0 DCADHO [NH3+]C[C@H]1CN(C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1O ZINC001246578321 945434729 /nfs/dbraw/zinc/43/47/29/945434729.db2.gz ATOQAIYQFXRFSN-HOCLYGCPSA-N 1 3 303.406 0.543 20 0 DCADHO C1C[C@@]2(C[NH2+]1)CNCCN2C1CCC(N2CCOCC2)CC1 ZINC001246628776 945446138 /nfs/dbraw/zinc/44/61/38/945446138.db2.gz ZOUUGOYRKRVVHA-OFLPRAFFSA-N 1 3 308.470 0.267 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CNCCC3(F)F)CCN1 ZINC001246635613 945449300 /nfs/dbraw/zinc/44/93/00/945449300.db2.gz DMKHFXAZFANHRW-DYEKYZERSA-N 1 3 317.380 0.601 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CNCCC3(F)F)CCN1 ZINC001246635613 945449306 /nfs/dbraw/zinc/44/93/06/945449306.db2.gz DMKHFXAZFANHRW-DYEKYZERSA-N 1 3 317.380 0.601 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246707045 945467612 /nfs/dbraw/zinc/46/76/12/945467612.db2.gz YNXKSVAVTQYVBO-UYJHQMFVSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246707045 945467616 /nfs/dbraw/zinc/46/76/16/945467616.db2.gz YNXKSVAVTQYVBO-UYJHQMFVSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1C[C@H](N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)CC[NH2+]1 ZINC001246707045 945467624 /nfs/dbraw/zinc/46/76/24/945467624.db2.gz YNXKSVAVTQYVBO-UYJHQMFVSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1CC[C@@H](N2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)C[NH2+]1 ZINC001246740832 945479441 /nfs/dbraw/zinc/47/94/41/945479441.db2.gz HODOGALEIALMAC-GCSSGZNBSA-N 1 3 323.437 0.485 20 0 DCADHO O=C(NC1CCC1)c1nn([C@@H]2CCC[NH2+]C2)c2c1CNCC2 ZINC001246744105 945481471 /nfs/dbraw/zinc/48/14/71/945481471.db2.gz JCLVXVUUCSQDBC-GFCCVEGCSA-N 1 3 303.410 0.736 20 0 DCADHO COc1cccc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246864713 945507966 /nfs/dbraw/zinc/50/79/66/945507966.db2.gz PTNRLMKEQTZITP-AWEZNQCLSA-N 1 3 317.437 0.306 20 0 DCADHO C[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)C[NH2+]CC[C@H]1O ZINC001247754055 945572167 /nfs/dbraw/zinc/57/21/67/945572167.db2.gz PYMHLLUGYQQWQT-CZUORRHYSA-N 1 3 315.377 0.389 20 0 DCADHO COc1ccnc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1F ZINC001247839024 945575699 /nfs/dbraw/zinc/57/56/99/945575699.db2.gz ZHDBLEATVJHCIZ-MRVPVSSYSA-N 1 3 305.313 0.556 20 0 DCADHO COc1c(F)cccc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247850247 945580147 /nfs/dbraw/zinc/58/01/47/945580147.db2.gz JHSFOQXUTSWQPJ-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO O[C@@H](C[NH2+]CCc1c[nH]c2ccncc12)CN1CCOCC1 ZINC001251046734 945729772 /nfs/dbraw/zinc/72/97/72/945729772.db2.gz SJUBTCUPXAFYAF-AWEZNQCLSA-N 1 3 304.394 0.388 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001273201005 945777945 /nfs/dbraw/zinc/77/79/45/945777945.db2.gz ACEIJJXAAMPZSU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCOC[C@@H](O)CN1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001252024891 945837782 /nfs/dbraw/zinc/83/77/82/945837782.db2.gz QZPXPGFLSJVEQO-OWCLPIDISA-N 1 3 316.442 0.053 20 0 DCADHO CCOC[C@@H](O)CN1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001252024891 945837789 /nfs/dbraw/zinc/83/77/89/945837789.db2.gz QZPXPGFLSJVEQO-OWCLPIDISA-N 1 3 316.442 0.053 20 0 DCADHO CN1CC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC001320380732 945847052 /nfs/dbraw/zinc/84/70/52/945847052.db2.gz BQYWDCWPSRXUET-OAHLLOKOSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C)N(C)C ZINC001320615235 945950618 /nfs/dbraw/zinc/95/06/18/945950618.db2.gz QRDGTBJDRKBMHE-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001320864513 946046488 /nfs/dbraw/zinc/04/64/88/946046488.db2.gz XOAPRELRZHLPIV-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001410232121 946070915 /nfs/dbraw/zinc/07/09/15/946070915.db2.gz YAAXRDXTKMODAU-ZQDZILKHSA-N 1 3 324.469 0.288 20 0 DCADHO CC[NH+](CC)C[C@@H](O)CN[C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001253204917 946093489 /nfs/dbraw/zinc/09/34/89/946093489.db2.gz YAYPZTUSQTYCNC-GJZGRUSLSA-N 1 3 307.438 0.535 20 0 DCADHO C=CC(=O)NCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001253357599 946110007 /nfs/dbraw/zinc/11/00/07/946110007.db2.gz JMNKWDHCWVJMJA-UHFFFAOYSA-N 1 3 322.453 0.354 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001410265990 946116504 /nfs/dbraw/zinc/11/65/04/946116504.db2.gz SQSPWCYYDVLHMB-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO Cn1cc(CC[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)cn1 ZINC001321190348 946208264 /nfs/dbraw/zinc/20/82/64/946208264.db2.gz UKYDYJJCPSRJKN-ABCZVMIZSA-N 1 3 305.426 0.319 20 0 DCADHO CN(CCN(C)C(=O)Cc1c[nH]cn1)C(=O)CCC[NH+](C)C ZINC001433193415 946232174 /nfs/dbraw/zinc/23/21/74/946232174.db2.gz SKEIRBWDJOJMRQ-UHFFFAOYSA-N 1 3 309.414 0.211 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001321421000 946326633 /nfs/dbraw/zinc/32/66/33/946326633.db2.gz VIQZRXHOFHXOIU-NNTXTVRGSA-N 1 3 320.441 0.368 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410427197 946351854 /nfs/dbraw/zinc/35/18/54/946351854.db2.gz CUCLCKVDGOSXCG-CYZMBNFOSA-N 1 3 321.425 0.222 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410427197 946351864 /nfs/dbraw/zinc/35/18/64/946351864.db2.gz CUCLCKVDGOSXCG-CYZMBNFOSA-N 1 3 321.425 0.222 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001410446611 946391269 /nfs/dbraw/zinc/39/12/69/946391269.db2.gz XKGNYOLKTXALIU-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001273314574 946482601 /nfs/dbraw/zinc/48/26/01/946482601.db2.gz BBXJCURQGMEROO-CABCVRRESA-N 1 3 323.441 0.040 20 0 DCADHO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255683057 946544644 /nfs/dbraw/zinc/54/46/44/946544644.db2.gz PZOZACYZFBJPRM-IXXDHKBRSA-N 1 3 323.437 0.755 20 0 DCADHO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255683057 946544650 /nfs/dbraw/zinc/54/46/50/946544650.db2.gz PZOZACYZFBJPRM-IXXDHKBRSA-N 1 3 323.437 0.755 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001256779466 946660574 /nfs/dbraw/zinc/66/05/74/946660574.db2.gz KQFJNHHBZDQCIQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CS(=O)(=O)N(C1CNC1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256921026 946677690 /nfs/dbraw/zinc/67/76/90/946677690.db2.gz VNLSBEVMRRXKCN-ZDUSSCGKSA-N 1 3 301.456 0.627 20 0 DCADHO CS(=O)(=O)N(C1CNC1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256921026 946677697 /nfs/dbraw/zinc/67/76/97/946677697.db2.gz VNLSBEVMRRXKCN-ZDUSSCGKSA-N 1 3 301.456 0.627 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001322652268 946758988 /nfs/dbraw/zinc/75/89/88/946758988.db2.gz ULBLPXJFTFQZCA-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001410842767 947016273 /nfs/dbraw/zinc/01/62/73/947016273.db2.gz FWSXFDSDUAVCLU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001410845113 947019016 /nfs/dbraw/zinc/01/90/16/947019016.db2.gz GNZYAKLHIMPNQA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001410844690 947019895 /nfs/dbraw/zinc/01/98/95/947019895.db2.gz JKIQSQJRQZEVKL-ZIAGYGMSSA-N 1 3 312.458 0.430 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001410978604 947187144 /nfs/dbraw/zinc/18/71/44/947187144.db2.gz ZSPYKVFBIWVPSC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001410978609 947187930 /nfs/dbraw/zinc/18/79/30/947187930.db2.gz ZSPYKVFBIWVPSC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001411028135 947247813 /nfs/dbraw/zinc/24/78/13/947247813.db2.gz WRCSYNDIGXYCHU-INIZCTEOSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001273428220 947350571 /nfs/dbraw/zinc/35/05/71/947350571.db2.gz RIACCECEISCOJG-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001273428220 947350585 /nfs/dbraw/zinc/35/05/85/947350585.db2.gz RIACCECEISCOJG-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]Cc3cnnn3C)C2)CCC1 ZINC001411236450 947523640 /nfs/dbraw/zinc/52/36/40/947523640.db2.gz LMMSIHCOBXUHOL-UHFFFAOYSA-N 1 3 320.441 0.378 20 0 DCADHO COc1cccc([C@@H](CNC(=O)CNCC[NH3+])N2CCCC2)c1 ZINC001263093142 947806239 /nfs/dbraw/zinc/80/62/39/947806239.db2.gz QGQOVFCALWIGRC-MRXNPFEDSA-N 1 3 320.437 0.497 20 0 DCADHO Cc1cc([C@H](N)CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)cc(Cl)n1 ZINC001263155761 947813923 /nfs/dbraw/zinc/81/39/23/947813923.db2.gz FHVCCNMNOYMFBB-VXGBXAGGSA-N 1 3 324.812 0.680 20 0 DCADHO C[C@H]([NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001179580353 947877821 /nfs/dbraw/zinc/87/78/21/947877821.db2.gz DVCCDIMQFCEPQU-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001487782994 948271363 /nfs/dbraw/zinc/27/13/63/948271363.db2.gz FLMAEEMNHJEOBL-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001487782994 948271371 /nfs/dbraw/zinc/27/13/71/948271371.db2.gz FLMAEEMNHJEOBL-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC001327681523 948594359 /nfs/dbraw/zinc/59/43/59/948594359.db2.gz DAWBHQNMOJJZEY-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@@H](O)C(C)(C)C)C2)C1=O ZINC001273891083 948663626 /nfs/dbraw/zinc/66/36/26/948663626.db2.gz HWZZXTVGOHOHCB-PBHICJAKSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@@H](O)C(C)(C)C)C2)C1=O ZINC001273891083 948663630 /nfs/dbraw/zinc/66/36/30/948663630.db2.gz HWZZXTVGOHOHCB-PBHICJAKSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001489089532 949516684 /nfs/dbraw/zinc/51/66/84/949516684.db2.gz SJQJLYMRCUSEKN-JJXSEGSLSA-N 1 3 309.454 0.488 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001489089532 949516687 /nfs/dbraw/zinc/51/66/87/949516687.db2.gz SJQJLYMRCUSEKN-JJXSEGSLSA-N 1 3 309.454 0.488 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](CCO)CCOC)C1)N(C)C ZINC001489171065 949527454 /nfs/dbraw/zinc/52/74/54/949527454.db2.gz XXWCNILANYEOEK-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](CCO)CCOC)C1)N(C)C ZINC001489171065 949527468 /nfs/dbraw/zinc/52/74/68/949527468.db2.gz XXWCNILANYEOEK-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001489240366 949658134 /nfs/dbraw/zinc/65/81/34/949658134.db2.gz OQQNBLNLIVKIBR-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001489240366 949658144 /nfs/dbraw/zinc/65/81/44/949658144.db2.gz OQQNBLNLIVKIBR-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])NCCC1CC1 ZINC001330274728 950244199 /nfs/dbraw/zinc/24/41/99/950244199.db2.gz NKWZNFIILAUBPQ-AWEZNQCLSA-N 1 3 309.458 0.843 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001365150648 950615789 /nfs/dbraw/zinc/61/57/89/950615789.db2.gz GRDDJKUTDOYVSF-UHFFFAOYSA-N 1 3 306.410 0.792 20 0 DCADHO CC(C)(C(=O)N1CCO[C@@H](CNCCF)C1)[NH+]1CCCC1 ZINC001280620064 950993522 /nfs/dbraw/zinc/99/35/22/950993522.db2.gz JWJSLRYOXYMWJC-ZDUSSCGKSA-N 1 3 301.406 0.647 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3ccc(=O)[nH]n3)C2)C1=O ZINC001274271024 951529052 /nfs/dbraw/zinc/52/90/52/951529052.db2.gz ZDLOETBDXLZUKM-INIZCTEOSA-N 1 3 319.409 0.168 20 0 DCADHO C[N@H+](Cc1ccccc1)C1CCN(S(=O)(=O)CCN)CC1 ZINC000717621204 951596333 /nfs/dbraw/zinc/59/63/33/951596333.db2.gz WXMZFCNGWAZKCE-UHFFFAOYSA-N 1 3 311.451 0.871 20 0 DCADHO C[N@@H+](Cc1ccccc1)C1CCN(S(=O)(=O)CCN)CC1 ZINC000717621204 951596340 /nfs/dbraw/zinc/59/63/40/951596340.db2.gz WXMZFCNGWAZKCE-UHFFFAOYSA-N 1 3 311.451 0.871 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001274579735 951712581 /nfs/dbraw/zinc/71/25/81/951712581.db2.gz WMXVHKLYJSRNIP-MHKRFPNSSA-N 1 3 324.469 0.457 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001274579735 951712588 /nfs/dbraw/zinc/71/25/88/951712588.db2.gz WMXVHKLYJSRNIP-MHKRFPNSSA-N 1 3 324.469 0.457 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC=CCC1 ZINC001333074341 951907904 /nfs/dbraw/zinc/90/79/04/951907904.db2.gz VSUXDQKRJVTABJ-UHFFFAOYSA-N 1 3 324.469 0.553 20 0 DCADHO O=C1CC[C@H](C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)N1 ZINC001275187410 951995771 /nfs/dbraw/zinc/99/57/71/951995771.db2.gz JQMFMOFNRGSBJA-OAHLLOKOSA-N 1 3 317.437 0.560 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC001333349793 952015815 /nfs/dbraw/zinc/01/58/15/952015815.db2.gz HGNPBXFWBBCLMG-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NC/C=C/CO)CC2)CC1 ZINC001334528557 952337485 /nfs/dbraw/zinc/33/74/85/952337485.db2.gz UJHAHLWWOQFYGQ-ONEGZZNKSA-N 1 3 309.454 0.847 20 0 DCADHO CC(=O)N1CCC(NC(=O)CN(C)CCCCCC[NH3+])CC1 ZINC001335836718 952607640 /nfs/dbraw/zinc/60/76/40/952607640.db2.gz DYLMTDCQSYYLHH-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO CN1CCN(C[C@@H](O)C[NH2+]CCN2CCCC(C)(C)C2)CC1 ZINC001335986326 952629084 /nfs/dbraw/zinc/62/90/84/952629084.db2.gz NHKHBAAURQBSDQ-INIZCTEOSA-N 1 3 312.502 0.306 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001412529567 952871161 /nfs/dbraw/zinc/87/11/61/952871161.db2.gz BNFVEOPDHYIFQZ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001412529567 952871166 /nfs/dbraw/zinc/87/11/66/952871166.db2.gz BNFVEOPDHYIFQZ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001338507067 953023473 /nfs/dbraw/zinc/02/34/73/953023473.db2.gz VLJJXVKCUOAGQG-HNNXBMFYSA-N 1 3 313.348 0.950 20 0 DCADHO C[N@H+]1CC[C@](O)(CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001338507067 953023478 /nfs/dbraw/zinc/02/34/78/953023478.db2.gz VLJJXVKCUOAGQG-HNNXBMFYSA-N 1 3 313.348 0.950 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC1CC1 ZINC001326989442 953025629 /nfs/dbraw/zinc/02/56/29/953025629.db2.gz AASLZPPFIYIBJS-UHFFFAOYSA-N 1 3 312.458 0.197 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001339064826 953070489 /nfs/dbraw/zinc/07/04/89/953070489.db2.gz YFMRNNAMWZQYTI-HNNXBMFYSA-N 1 3 324.469 0.659 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCCN1C ZINC001339951096 953133381 /nfs/dbraw/zinc/13/33/81/953133381.db2.gz ITYHKBCCPHUQDS-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCCN1C ZINC001339951096 953133379 /nfs/dbraw/zinc/13/33/79/953133379.db2.gz ITYHKBCCPHUQDS-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO N[C@H](Cc1ccccn1)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341074247 953209259 /nfs/dbraw/zinc/20/92/59/953209259.db2.gz XJWJNCQMXZAWOI-MRXNPFEDSA-N 1 3 319.453 0.143 20 0 DCADHO C[NH2+]CCCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001341605658 953239482 /nfs/dbraw/zinc/23/94/82/953239482.db2.gz QKXRYUXTAMCGJV-UHFFFAOYSA-N 1 3 310.442 0.143 20 0 DCADHO CCN(C)C(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366068994 953644743 /nfs/dbraw/zinc/64/47/43/953644743.db2.gz UKKIHLDLVXAXOL-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366068994 953644751 /nfs/dbraw/zinc/64/47/51/953644751.db2.gz UKKIHLDLVXAXOL-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCOCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001282833347 953689938 /nfs/dbraw/zinc/68/99/38/953689938.db2.gz NJUHFLANIIEBHD-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001282873010 953710141 /nfs/dbraw/zinc/71/01/41/953710141.db2.gz DGYQHTSGRMTFEE-LVQVYYBASA-N 1 3 311.470 0.903 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001282873010 953710153 /nfs/dbraw/zinc/71/01/53/953710153.db2.gz DGYQHTSGRMTFEE-LVQVYYBASA-N 1 3 311.470 0.903 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001366199264 953812137 /nfs/dbraw/zinc/81/21/37/953812137.db2.gz GCHVYGKVXPLQDS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366201850 953814484 /nfs/dbraw/zinc/81/44/84/953814484.db2.gz KZZRVGFKDDHYIA-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001366231783 953862046 /nfs/dbraw/zinc/86/20/46/953862046.db2.gz ZFJKGDUJGZOAGA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001366279660 953946700 /nfs/dbraw/zinc/94/67/00/953946700.db2.gz UYKAOOSBNLSAEC-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001366279660 953946710 /nfs/dbraw/zinc/94/67/10/953946710.db2.gz UYKAOOSBNLSAEC-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001366350073 954075892 /nfs/dbraw/zinc/07/58/92/954075892.db2.gz YPSUITOSLUEPJS-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CN1CCN(CC2CN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001347787988 954167055 /nfs/dbraw/zinc/16/70/55/954167055.db2.gz WITPVSHQFQBBST-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366417019 954172824 /nfs/dbraw/zinc/17/28/24/954172824.db2.gz WBSGAFIOVVKIFC-ZFWWWQNUSA-N 1 3 312.458 0.147 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001366426508 954185790 /nfs/dbraw/zinc/18/57/90/954185790.db2.gz GOSCIBRPQJPKAJ-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001366426508 954185798 /nfs/dbraw/zinc/18/57/98/954185798.db2.gz GOSCIBRPQJPKAJ-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1ccn(C)n1 ZINC001366480047 954257786 /nfs/dbraw/zinc/25/77/86/954257786.db2.gz ATFJWQCRZHNQTE-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NCc1ccn(C)n1 ZINC001366480047 954257803 /nfs/dbraw/zinc/25/78/03/954257803.db2.gz ATFJWQCRZHNQTE-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CO[C@H](C)CN(C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001366580663 954459752 /nfs/dbraw/zinc/45/97/52/954459752.db2.gz WKEOTSSQIDWQFO-CYBMUJFWSA-N 1 3 301.431 0.180 20 0 DCADHO C[NH+](C)CCCC(=O)NCC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001366832119 954905929 /nfs/dbraw/zinc/90/59/29/954905929.db2.gz FVLZOSILKSAWIC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)[C@H]1CC[NH2+]C1 ZINC001349971000 954949416 /nfs/dbraw/zinc/94/94/16/954949416.db2.gz UXOMGGZLJUGOOZ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN1CC[NH+](CC2CC2)CC1)N(C)C ZINC001366866230 954963369 /nfs/dbraw/zinc/96/33/69/954963369.db2.gz ZURPAUHTJRLQOU-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC001350063958 954981696 /nfs/dbraw/zinc/98/16/96/954981696.db2.gz VZTWRILDMOKCSG-KKUMJFAQSA-N 1 3 322.453 0.317 20 0 DCADHO COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001367048306 955261706 /nfs/dbraw/zinc/26/17/06/955261706.db2.gz VDRWIRQYANCNAB-ILXRZTDVSA-N 1 3 315.458 0.113 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001367128091 955363820 /nfs/dbraw/zinc/36/38/20/955363820.db2.gz QLIIUDZGVGGYBU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1 ZINC001367199784 955452209 /nfs/dbraw/zinc/45/22/09/955452209.db2.gz FXVRIHIMVKHLAN-IHRRRGAJSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001367202565 955455229 /nfs/dbraw/zinc/45/52/29/955455229.db2.gz WTTAUXBKUKXAMC-IHRRRGAJSA-N 1 3 310.442 0.232 20 0 DCADHO CN(C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C1CC1 ZINC001367213383 955464801 /nfs/dbraw/zinc/46/48/01/955464801.db2.gz ADOXPCUOAOABSH-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001353308306 956012097 /nfs/dbraw/zinc/01/20/97/956012097.db2.gz AXJHMXCNTSBGTP-MCIONIFRSA-N 1 3 310.442 0.077 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001416049415 956207393 /nfs/dbraw/zinc/20/73/93/956207393.db2.gz GQVZPDVZQBQNSY-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001416049415 956207404 /nfs/dbraw/zinc/20/74/04/956207404.db2.gz GQVZPDVZQBQNSY-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367390212 957757662 /nfs/dbraw/zinc/75/76/62/957757662.db2.gz WGXGBFZUZPJZNA-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367390212 957757674 /nfs/dbraw/zinc/75/76/74/957757674.db2.gz WGXGBFZUZPJZNA-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001367494073 957897490 /nfs/dbraw/zinc/89/74/90/957897490.db2.gz QOQFOMWLKBVVLJ-ZIAGYGMSSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@H+](C)C[C@@H]1CCc2ncnn21)N(C)C ZINC001367546947 958010246 /nfs/dbraw/zinc/01/02/46/958010246.db2.gz VWLVBLJBGBVPGK-UONOGXRCSA-N 1 3 322.457 0.496 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)C[C@@H]1CCc2ncnn21)N(C)C ZINC001367546947 958010262 /nfs/dbraw/zinc/01/02/62/958010262.db2.gz VWLVBLJBGBVPGK-UONOGXRCSA-N 1 3 322.457 0.496 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cncc(C)c1)N(C)C ZINC001367594700 958141569 /nfs/dbraw/zinc/14/15/69/958141569.db2.gz QYSNQLHMCGLMPK-LSDHHAIUSA-N 1 3 308.426 0.297 20 0 DCADHO Cc1cncc(C[NH2+]C[C@@H](O)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001367595972 958145084 /nfs/dbraw/zinc/14/50/84/958145084.db2.gz WIEIQIRJJKDVIP-OAHLLOKOSA-N 1 3 320.437 0.441 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnn2c1CCC2 ZINC001367673635 958329797 /nfs/dbraw/zinc/32/97/97/958329797.db2.gz GGJBHWPUEYDXTI-GFCCVEGCSA-N 1 3 321.425 0.309 20 0 DCADHO Cc1ccc(C(=O)N[C@H](C)C[NH2+]CC(=O)N2CCCC2)nn1 ZINC001367674226 958331966 /nfs/dbraw/zinc/33/19/66/958331966.db2.gz YLVLHOVHBWWGRU-GFCCVEGCSA-N 1 3 305.382 0.115 20 0 DCADHO CCOc1cccc(C[NH2+]C[C@@H](C)NC(=O)c2ncn(C)n2)n1 ZINC001367673265 958332155 /nfs/dbraw/zinc/33/21/55/958332155.db2.gz XPKQLLWLAWLMTO-LLVKDONJSA-N 1 3 318.381 0.517 20 0 DCADHO COc1cc(C(=O)N[C@H](C)C[NH2+]Cc2cncs2)ncn1 ZINC001367673242 958332242 /nfs/dbraw/zinc/33/22/42/958332242.db2.gz BVZXFMHHAFPEIK-SECBINFHSA-N 1 3 307.379 0.850 20 0 DCADHO CNC(=O)NCC(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001367673532 958332802 /nfs/dbraw/zinc/33/28/02/958332802.db2.gz FDIYIDXLCSSKCO-RISCZKNCSA-N 1 3 304.394 0.697 20 0 DCADHO C[C@H](C[NH2+]Cc1cncn1C)NC(=O)CCc1ccnn1C ZINC001367674055 958332814 /nfs/dbraw/zinc/33/28/14/958332814.db2.gz DFZUHQVSTJDLFL-GFCCVEGCSA-N 1 3 304.398 0.381 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001367689839 958369908 /nfs/dbraw/zinc/36/99/08/958369908.db2.gz BHIOTUWAAXEBNW-GFCCVEGCSA-N 1 3 322.457 0.864 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367695342 958390009 /nfs/dbraw/zinc/39/00/09/958390009.db2.gz VCANWGOELRNMGK-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001367737724 958475350 /nfs/dbraw/zinc/47/53/50/958475350.db2.gz BCZBHEMPFSWVTJ-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001376790131 958842065 /nfs/dbraw/zinc/84/20/65/958842065.db2.gz UQXWUZHYIPYXLA-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001376790131 958842083 /nfs/dbraw/zinc/84/20/83/958842083.db2.gz UQXWUZHYIPYXLA-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H](C)CNC(=O)CCC[NH+](C)C)C1=O ZINC001376804027 958882092 /nfs/dbraw/zinc/88/20/92/958882092.db2.gz NWQZCPZLEITMPT-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001376805845 958887196 /nfs/dbraw/zinc/88/71/96/958887196.db2.gz DOYVMOCWCZIHMQ-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)NCC2(NCC(N)=O)CCC2)c1 ZINC001376815602 958905862 /nfs/dbraw/zinc/90/58/62/958905862.db2.gz GYBHBDCCCYYDGD-UHFFFAOYSA-N 1 3 318.421 0.476 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001376850743 958982004 /nfs/dbraw/zinc/98/20/04/958982004.db2.gz RADQLWAYKACNKN-XJKSGUPXSA-N 1 3 322.453 0.566 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC001491646005 959004628 /nfs/dbraw/zinc/00/46/28/959004628.db2.gz NMYRBADIGNMOMG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC001491646005 959004647 /nfs/dbraw/zinc/00/46/47/959004647.db2.gz NMYRBADIGNMOMG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001367997006 959050957 /nfs/dbraw/zinc/05/09/57/959050957.db2.gz MADRPQQWLFYTGW-KGLIPLIRSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001367997006 959050972 /nfs/dbraw/zinc/05/09/72/959050972.db2.gz MADRPQQWLFYTGW-KGLIPLIRSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cccc(C(N)=O)c1 ZINC001491674759 959117606 /nfs/dbraw/zinc/11/76/06/959117606.db2.gz VUMGMSZWQAKCJT-IUODEOHRSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cccc(C(N)=O)c1 ZINC001491674759 959117614 /nfs/dbraw/zinc/11/76/14/959117614.db2.gz VUMGMSZWQAKCJT-IUODEOHRSA-N 1 3 318.421 0.332 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001376948190 959189521 /nfs/dbraw/zinc/18/95/21/959189521.db2.gz GYZSARJHPNCXSN-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001376948190 959189528 /nfs/dbraw/zinc/18/95/28/959189528.db2.gz GYZSARJHPNCXSN-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001368122663 959286791 /nfs/dbraw/zinc/28/67/91/959286791.db2.gz NFGLZUWZWUABCE-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCN2C)cn1 ZINC001377009402 959304304 /nfs/dbraw/zinc/30/43/04/959304304.db2.gz FBTPJBFBXVCAEE-SWLSCSKDSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001368196285 959432139 /nfs/dbraw/zinc/43/21/39/959432139.db2.gz NZGLDABRRPWSAW-HOCLYGCPSA-N 1 3 322.457 0.484 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC/C=C\Cl)C2)C1 ZINC001377174788 959626615 /nfs/dbraw/zinc/62/66/15/959626615.db2.gz MRACRVXNVHLVNX-GLPPDTDBSA-N 1 3 315.845 0.634 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC/C=C\Cl)C2)C1 ZINC001377174788 959626625 /nfs/dbraw/zinc/62/66/25/959626625.db2.gz MRACRVXNVHLVNX-GLPPDTDBSA-N 1 3 315.845 0.634 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)n[nH]1 ZINC001377281810 959854091 /nfs/dbraw/zinc/85/40/91/959854091.db2.gz UNSSHIHQSDLLTA-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001368474859 959916812 /nfs/dbraw/zinc/91/68/12/959916812.db2.gz JQQMYNMUQKJITO-MELADBBJSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NCC(N)=O)CCC1)[NH+]1CCCC1 ZINC001368498906 959945717 /nfs/dbraw/zinc/94/57/17/959945717.db2.gz VTKFVUQIBVSVTJ-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO CN1CCN(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001362791255 959993067 /nfs/dbraw/zinc/99/30/67/959993067.db2.gz LFZRILAXHHQGOH-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001377488444 960178905 /nfs/dbraw/zinc/17/89/05/960178905.db2.gz LNKXVRAJWLWQFR-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001368754450 960227440 /nfs/dbraw/zinc/22/74/40/960227440.db2.gz HNZNXSAGEFYUFA-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CN(CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O)CC(C)(C)C ZINC001377592275 960331253 /nfs/dbraw/zinc/33/12/53/960331253.db2.gz MUIAUJWEZCYMNG-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001378286615 960502473 /nfs/dbraw/zinc/50/24/73/960502473.db2.gz JCPATANMTJCVTR-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001378286615 960502489 /nfs/dbraw/zinc/50/24/89/960502489.db2.gz JCPATANMTJCVTR-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001377726250 960509016 /nfs/dbraw/zinc/50/90/16/960509016.db2.gz ISZIKEWUTKGGRI-RUXDESIVSA-N 1 3 312.458 0.336 20 0 DCADHO Cn1cnnc1C[C@@]1(O)CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC001548945263 1013196900 /nfs/dbraw/zinc/19/69/00/1013196900.db2.gz FWXOYFGXPQIVGO-ZBFHGGJFSA-N 1 3 307.442 0.669 20 0 DCADHO Cn1cnnc1C[C@@]1(O)CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC001548945263 1013196906 /nfs/dbraw/zinc/19/69/06/1013196906.db2.gz FWXOYFGXPQIVGO-ZBFHGGJFSA-N 1 3 307.442 0.669 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001377791909 960668964 /nfs/dbraw/zinc/66/89/64/960668964.db2.gz YEYZASCDBXQJHI-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001377791909 960668975 /nfs/dbraw/zinc/66/89/75/960668975.db2.gz YEYZASCDBXQJHI-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001378396138 960695992 /nfs/dbraw/zinc/69/59/92/960695992.db2.gz YDAFNSJULYSVNM-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001378396138 960696003 /nfs/dbraw/zinc/69/60/03/960696003.db2.gz YDAFNSJULYSVNM-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)C12CCC[NH+]1CCC2 ZINC001378437642 960755641 /nfs/dbraw/zinc/75/56/41/960755641.db2.gz BZUVUOWEMQGOLE-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001447018504 1013198915 /nfs/dbraw/zinc/19/89/15/1013198915.db2.gz CVCVYYLSUZCPME-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001447018504 1013198921 /nfs/dbraw/zinc/19/89/21/1013198921.db2.gz CVCVYYLSUZCPME-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NCC(=O)NC1CCCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377852030 960816062 /nfs/dbraw/zinc/81/60/62/960816062.db2.gz SCRHXIFDQSSPHR-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](NC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001378506875 960895159 /nfs/dbraw/zinc/89/51/59/960895159.db2.gz XNTBZPXKLGQLFN-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(=O)NC1CC1 ZINC001378510914 960902667 /nfs/dbraw/zinc/90/26/67/960902667.db2.gz JJWZIPBRLFCPSS-NWANDNLSSA-N 1 3 322.453 0.328 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001378809016 961515924 /nfs/dbraw/zinc/51/59/24/961515924.db2.gz JKIAFZSTUGKEJA-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCC(=O)N(C)C)[NH+](C)C ZINC001378807638 961516803 /nfs/dbraw/zinc/51/68/03/961516803.db2.gz FGDFATKSDLYTDU-TZMCWYRMSA-N 1 3 300.447 0.097 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001378836746 961558425 /nfs/dbraw/zinc/55/84/25/961558425.db2.gz AFOVAJZROXPOPL-QWHCGFSZSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001378875701 961646159 /nfs/dbraw/zinc/64/61/59/961646159.db2.gz DIRWQNDPXOPWOM-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001378875701 961646175 /nfs/dbraw/zinc/64/61/75/961646175.db2.gz DIRWQNDPXOPWOM-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001430262403 1013298441 /nfs/dbraw/zinc/29/84/41/1013298441.db2.gz QAPLTNFZQIBSBY-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001430262403 1013298445 /nfs/dbraw/zinc/29/84/45/1013298445.db2.gz QAPLTNFZQIBSBY-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C[C@@H](O)CNCc1ccns1)C(=O)C12CC[NH+](CC1)C2 ZINC001379864993 962173266 /nfs/dbraw/zinc/17/32/66/962173266.db2.gz FIAZGBDZPBHCAL-LBPRGKRZSA-N 1 3 324.450 0.148 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001379873248 962189916 /nfs/dbraw/zinc/18/99/16/962189916.db2.gz NCAGROTYBFXFBA-LSDHHAIUSA-N 1 3 307.442 0.745 20 0 DCADHO Cn1cc(CNC2(CNC(=O)CCC[NH+](C)C)CCC2)cn1 ZINC001447232979 1013324418 /nfs/dbraw/zinc/32/44/18/1013324418.db2.gz YHCPQAWRJVYCEV-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001379167144 962249800 /nfs/dbraw/zinc/24/98/00/962249800.db2.gz HFVPYPNKOGVDJY-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1cnn(C)c1)C1CC1 ZINC001379917091 962293182 /nfs/dbraw/zinc/29/31/82/962293182.db2.gz MEWCOOVFNOCVRZ-OAHLLOKOSA-N 1 3 307.442 0.745 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCCN2C)o1 ZINC001379236873 962434528 /nfs/dbraw/zinc/43/45/28/962434528.db2.gz XYMPUEUCAOGQIY-TZMCWYRMSA-N 1 3 310.398 0.034 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1cc2ccccc2o1 ZINC001379240670 962441193 /nfs/dbraw/zinc/44/11/93/962441193.db2.gz QXCOCOMZUWRVHY-AWEZNQCLSA-N 1 3 319.405 0.951 20 0 DCADHO CC[C@H](F)CNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001447285131 1013344277 /nfs/dbraw/zinc/34/42/77/1013344277.db2.gz ZPYLPRQLIBXJSM-UONOGXRCSA-N 1 3 315.433 0.893 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001380071264 962615316 /nfs/dbraw/zinc/61/53/16/962615316.db2.gz LHMYXTRAZFHXBO-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001379431810 962907009 /nfs/dbraw/zinc/90/70/09/962907009.db2.gz IOIBPNIGDZYRGU-QLFBSQMISA-N 1 3 315.458 0.351 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001379445842 962939377 /nfs/dbraw/zinc/93/93/77/962939377.db2.gz AVTKZQOIKMLERU-DOMZBBRYSA-N 1 3 324.473 0.787 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001380274814 962973552 /nfs/dbraw/zinc/97/35/52/962973552.db2.gz WVMCKEYVNAIWJD-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001380284452 962988389 /nfs/dbraw/zinc/98/83/89/962988389.db2.gz JNJWQUBRSOBSQK-RBSFLKMASA-N 1 3 315.458 0.161 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001380287595 962994659 /nfs/dbraw/zinc/99/46/59/962994659.db2.gz BEGLNICQMCRXMO-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC1(C)CC[NH+](CCO)CC1 ZINC001380297074 963010463 /nfs/dbraw/zinc/01/04/63/963010463.db2.gz DRIGNPYYSIRXIY-ZDUSSCGKSA-N 1 3 303.422 0.629 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CCCC1 ZINC001380330721 963043610 /nfs/dbraw/zinc/04/36/10/963043610.db2.gz XNOQRADNKXUBHI-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNCc1cccc(C(N)=O)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379596463 963240303 /nfs/dbraw/zinc/24/03/03/963240303.db2.gz GODDJULUFCGYKF-SWLSCSKDSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H](CNCc1cccc(C(N)=O)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379596463 963240317 /nfs/dbraw/zinc/24/03/17/963240317.db2.gz GODDJULUFCGYKF-SWLSCSKDSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H](C[N@H+](C)CCc1ccnn1C)NC(=O)CN(C)C1CCC1 ZINC001379680427 963374505 /nfs/dbraw/zinc/37/45/05/963374505.db2.gz ONHVTRCSPXJPCA-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](C[N@@H+](C)CCc1ccnn1C)NC(=O)CN(C)C1CCC1 ZINC001379680427 963374516 /nfs/dbraw/zinc/37/45/16/963374516.db2.gz ONHVTRCSPXJPCA-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001380676472 963481279 /nfs/dbraw/zinc/48/12/79/963481279.db2.gz LQFNKGZINLRVMJ-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001380692710 963494701 /nfs/dbraw/zinc/49/47/01/963494701.db2.gz UUMSTOQYGRVIIL-STQMWFEESA-N 1 3 312.458 0.134 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001380785829 963580998 /nfs/dbraw/zinc/58/09/98/963580998.db2.gz YHBBBPPMRXYGEO-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001381111660 963822089 /nfs/dbraw/zinc/82/20/89/963822089.db2.gz UDYVFQIYUIEBOP-GXTWGEPZSA-N 1 3 310.442 0.042 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001381193378 963882803 /nfs/dbraw/zinc/88/28/03/963882803.db2.gz CQZIKVBGVYCQOD-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCn1cncn1)N(C)C ZINC001381301319 963956468 /nfs/dbraw/zinc/95/64/68/963956468.db2.gz PCJDULNHLLTXON-LSDHHAIUSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCn1cncn1)N(C)C ZINC001381301319 963956471 /nfs/dbraw/zinc/95/64/71/963956471.db2.gz PCJDULNHLLTXON-LSDHHAIUSA-N 1 3 322.457 0.541 20 0 DCADHO C[C@H](NCC(=O)N(C)C1CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001368875513 964074110 /nfs/dbraw/zinc/07/41/10/964074110.db2.gz YVMMPGYBBLGLEP-STQMWFEESA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001368877723 964086573 /nfs/dbraw/zinc/08/65/73/964086573.db2.gz UYNNWAFUBVZTRE-VXGBXAGGSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001368877723 964086591 /nfs/dbraw/zinc/08/65/91/964086591.db2.gz UYNNWAFUBVZTRE-VXGBXAGGSA-N 1 3 312.458 0.608 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001368880200 964088095 /nfs/dbraw/zinc/08/80/95/964088095.db2.gz QFAAPTPMLMZCKX-OLZOCXBDSA-N 1 3 320.437 0.591 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1)C1CCC1 ZINC001375229600 964155553 /nfs/dbraw/zinc/15/55/53/964155553.db2.gz ODLPGWNVZWEKRR-HUUCEWRRSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccnn1C)C1CC1 ZINC001375279221 964199086 /nfs/dbraw/zinc/19/90/86/964199086.db2.gz VXCXTXRTMLUZSO-HNNXBMFYSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1nncn1C ZINC001369197412 964510935 /nfs/dbraw/zinc/51/09/35/964510935.db2.gz CUVFZUXSLWCIRL-ZIAGYGMSSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1nncn1C ZINC001369197412 964510943 /nfs/dbraw/zinc/51/09/43/964510943.db2.gz CUVFZUXSLWCIRL-ZIAGYGMSSA-N 1 3 322.457 0.387 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001369227170 964549890 /nfs/dbraw/zinc/54/98/90/964549890.db2.gz MMAJBQTVNUAXRZ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001369267604 964625764 /nfs/dbraw/zinc/62/57/64/964625764.db2.gz WMHWOCFSRBIYKL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001375748908 964789975 /nfs/dbraw/zinc/78/99/75/964789975.db2.gz VYWGIOZHSQLLEZ-VXGBXAGGSA-N 1 3 307.398 0.010 20 0 DCADHO Cc1cccc(C)c1CN[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001369345876 964791996 /nfs/dbraw/zinc/79/19/96/964791996.db2.gz IKCFMMYIBICKGX-HNNXBMFYSA-N 1 3 307.438 0.822 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001375792372 964840392 /nfs/dbraw/zinc/84/03/92/964840392.db2.gz IOYWLVPJHZRUIR-QEJZJMRPSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001375792372 964840398 /nfs/dbraw/zinc/84/03/98/964840398.db2.gz IOYWLVPJHZRUIR-QEJZJMRPSA-N 1 3 324.469 0.467 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369379911 964857099 /nfs/dbraw/zinc/85/70/99/964857099.db2.gz FJRVYPVRGPTNIH-HOTGVXAUSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369379911 964857106 /nfs/dbraw/zinc/85/71/06/964857106.db2.gz FJRVYPVRGPTNIH-HOTGVXAUSA-N 1 3 305.422 0.513 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C[C@@H]1C ZINC001369406087 964918228 /nfs/dbraw/zinc/91/82/28/964918228.db2.gz RCFBZAFFJJEAOB-LSDHHAIUSA-N 1 3 321.469 0.883 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001375865072 964934797 /nfs/dbraw/zinc/93/47/97/964934797.db2.gz BTMORXZDXYHZPO-CZUORRHYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1)N1CCCC1 ZINC001369423924 964955879 /nfs/dbraw/zinc/95/58/79/964955879.db2.gz QJYAZRCBKPTABU-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccnn1C ZINC001374070651 964974665 /nfs/dbraw/zinc/97/46/65/964974665.db2.gz DUGUBDLEUJJBBC-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)cn1 ZINC001374112716 965024538 /nfs/dbraw/zinc/02/45/38/965024538.db2.gz QYKYPIUMSKZQBI-CYBMUJFWSA-N 1 3 307.442 0.967 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCn2cncn2)CCCC1)N(C)C ZINC001374178512 965098209 /nfs/dbraw/zinc/09/82/09/965098209.db2.gz YYBJZABGWCTKBJ-CQSZACIVSA-N 1 3 322.457 0.637 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CCCF)C1 ZINC001369502410 965100920 /nfs/dbraw/zinc/10/09/20/965100920.db2.gz FSTFAXOHORZULH-UONOGXRCSA-N 1 3 303.422 0.439 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCCF)C1 ZINC001369502410 965100925 /nfs/dbraw/zinc/10/09/25/965100925.db2.gz FSTFAXOHORZULH-UONOGXRCSA-N 1 3 303.422 0.439 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001369580783 965191390 /nfs/dbraw/zinc/19/13/90/965191390.db2.gz CLNUAGIMOXPIQS-YMAMQOFZSA-N 1 3 324.469 0.574 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374304579 965254681 /nfs/dbraw/zinc/25/46/81/965254681.db2.gz MBHVZJCGXLEZKI-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374310286 965260260 /nfs/dbraw/zinc/26/02/60/965260260.db2.gz DIUFXEXBPUPUJJ-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374310286 965260273 /nfs/dbraw/zinc/26/02/73/965260273.db2.gz DIUFXEXBPUPUJJ-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2ccnn2C)C2CC2)CCC1 ZINC001376219806 965401734 /nfs/dbraw/zinc/40/17/34/965401734.db2.gz UEVLYTBKJREYOR-OAHLLOKOSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)N1CCC1 ZINC001374453176 965405626 /nfs/dbraw/zinc/40/56/26/965405626.db2.gz NGDHPCJHJAKGAC-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001369895030 965536378 /nfs/dbraw/zinc/53/63/78/965536378.db2.gz NYFKGEPSJJPZPX-MRXNPFEDSA-N 1 3 308.470 0.472 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001376481833 965715234 /nfs/dbraw/zinc/71/52/34/965715234.db2.gz YBXFMONHNVYVOI-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001374703824 965783952 /nfs/dbraw/zinc/78/39/52/965783952.db2.gz GBFXOTXJMPTWCD-KBPBESRZSA-N 1 3 314.474 0.487 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001374719045 965808990 /nfs/dbraw/zinc/80/89/90/965808990.db2.gz SHBIMHBLNDMAOU-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001374719045 965809000 /nfs/dbraw/zinc/80/90/00/965809000.db2.gz SHBIMHBLNDMAOU-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COC)C1)N(C)C ZINC001376542951 965809103 /nfs/dbraw/zinc/80/91/03/965809103.db2.gz RAXOMBUZBDCOPL-KFWWJZLASA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1)N(C)C ZINC001376542951 965809116 /nfs/dbraw/zinc/80/91/16/965809116.db2.gz RAXOMBUZBDCOPL-KFWWJZLASA-N 1 3 315.458 0.162 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001376550783 965817264 /nfs/dbraw/zinc/81/72/64/965817264.db2.gz PJLULAFHCWRQBW-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001374765371 965888885 /nfs/dbraw/zinc/88/88/85/965888885.db2.gz LEJDJKXIKIYKOH-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001374765371 965888892 /nfs/dbraw/zinc/88/88/92/965888892.db2.gz LEJDJKXIKIYKOH-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001376616601 965896892 /nfs/dbraw/zinc/89/68/92/965896892.db2.gz QECOPWCENCSPEI-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001370388955 966071292 /nfs/dbraw/zinc/07/12/92/966071292.db2.gz GYKBTKPCBJVKDO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(=O)N(C)C ZINC001370389827 966071583 /nfs/dbraw/zinc/07/15/83/966071583.db2.gz KTVWRXXWMYKDOG-XGUBFFRZSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(=O)N(C)C ZINC001370389827 966071596 /nfs/dbraw/zinc/07/15/96/966071596.db2.gz KTVWRXXWMYKDOG-XGUBFFRZSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001376749643 966114613 /nfs/dbraw/zinc/11/46/13/966114613.db2.gz NLNFOTRDFSWQAZ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001370636313 966309621 /nfs/dbraw/zinc/30/96/21/966309621.db2.gz LUEVWSOLMNWAQR-BETUJISGSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001447909962 1013642736 /nfs/dbraw/zinc/64/27/36/1013642736.db2.gz PLCIILWLBNIOCE-CHWSQXEVSA-N 1 3 314.474 0.535 20 0 DCADHO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001381471129 966443378 /nfs/dbraw/zinc/44/33/78/966443378.db2.gz WBCLWHHXXZKDMX-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001371027521 966678486 /nfs/dbraw/zinc/67/84/86/966678486.db2.gz VVURSNOHVYKNDX-NMNMXBMNSA-N 1 3 309.454 0.536 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001371027521 966678488 /nfs/dbraw/zinc/67/84/88/966678488.db2.gz VVURSNOHVYKNDX-NMNMXBMNSA-N 1 3 309.454 0.536 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001371072904 966705204 /nfs/dbraw/zinc/70/52/04/966705204.db2.gz RALYCCXGKZNZTJ-UHFFFAOYSA-N 1 3 322.457 0.637 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001371418446 966976070 /nfs/dbraw/zinc/97/60/70/966976070.db2.gz METCQGWKMHQAGK-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001371435073 966988601 /nfs/dbraw/zinc/98/86/01/966988601.db2.gz CMPOGTSSVSKWBM-SOUVJXGZSA-N 1 3 324.469 0.338 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001371473601 967023316 /nfs/dbraw/zinc/02/33/16/967023316.db2.gz KKYWCHASBKJNBC-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371526738 967080628 /nfs/dbraw/zinc/08/06/28/967080628.db2.gz BWWCOBIJOYAXHJ-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001382244914 967115568 /nfs/dbraw/zinc/11/55/68/967115568.db2.gz HKIMUTKMYSOILG-QWRGUYRKSA-N 1 3 311.348 0.347 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001371573409 967133521 /nfs/dbraw/zinc/13/35/21/967133521.db2.gz OPFFYTKWTWOTFO-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CCC[C@@H]1C ZINC001430738064 1013702776 /nfs/dbraw/zinc/70/27/76/1013702776.db2.gz IUXXPMAKWCYJNA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NC2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001382279647 967159470 /nfs/dbraw/zinc/15/94/70/967159470.db2.gz AZOBHKCHCHVESI-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001382293180 967175954 /nfs/dbraw/zinc/17/59/54/967175954.db2.gz XQROEZHAEBLGFM-TZMCWYRMSA-N 1 3 322.453 0.186 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001382306826 967191875 /nfs/dbraw/zinc/19/18/75/967191875.db2.gz CJUOLLNKXIRRHN-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001382306826 967191882 /nfs/dbraw/zinc/19/18/82/967191882.db2.gz CJUOLLNKXIRRHN-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NCC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001382320949 967215222 /nfs/dbraw/zinc/21/52/22/967215222.db2.gz WHKOBFHQJJEVMT-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(N)=O)[C@@H]2C1 ZINC001382327441 967223751 /nfs/dbraw/zinc/22/37/51/967223751.db2.gz GJDBZYWEKNFNPT-MJBXVCDLSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001372261337 967808959 /nfs/dbraw/zinc/80/89/59/967808959.db2.gz TZTSTOURQLVLKT-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001372261337 967808974 /nfs/dbraw/zinc/80/89/74/967808974.db2.gz TZTSTOURQLVLKT-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001372672408 968234554 /nfs/dbraw/zinc/23/45/54/968234554.db2.gz SSFGYYISQINGKJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCc1cnn(C)c1 ZINC001448727860 1014013478 /nfs/dbraw/zinc/01/34/78/1014013478.db2.gz GYBAMDGCMRRAHB-LBPRGKRZSA-N 1 3 304.398 0.365 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001448763925 1014030109 /nfs/dbraw/zinc/03/01/09/1014030109.db2.gz AFZOGBPLUGRLDC-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001448763925 1014030112 /nfs/dbraw/zinc/03/01/12/1014030112.db2.gz AFZOGBPLUGRLDC-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001449010538 1014133341 /nfs/dbraw/zinc/13/33/41/1014133341.db2.gz JYQWTTIGKJEUJD-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549121600 1014138919 /nfs/dbraw/zinc/13/89/19/1014138919.db2.gz HRFRXRCLVLOTKE-KMFMINBZSA-N 1 3 301.390 0.226 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001549292149 1014198934 /nfs/dbraw/zinc/19/89/34/1014198934.db2.gz PVVSFRAXPXGTQU-GDBMZVCRSA-N 1 3 324.469 0.324 20 0 DCADHO Cn1cc([C@H]2CN(C(=O)c3cccc4c3CNC4)C[C@@H]2[NH3+])cn1 ZINC001549293011 1014200145 /nfs/dbraw/zinc/20/01/45/1014200145.db2.gz QOPQYZVCAPXUHW-CVEARBPZSA-N 1 3 311.389 0.590 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)C[C@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001449227659 1014324671 /nfs/dbraw/zinc/32/46/71/1014324671.db2.gz JDLSDZABQXYZTG-UKRRQHHQSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)C[C@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001449227659 1014324681 /nfs/dbraw/zinc/32/46/81/1014324681.db2.gz JDLSDZABQXYZTG-UKRRQHHQSA-N 1 3 324.425 0.130 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CNCC(=O)NC)C(C)(C)C ZINC001449314945 1014405076 /nfs/dbraw/zinc/40/50/76/1014405076.db2.gz JMNXXLHWABMIFK-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CNCC(=O)NC)C(C)(C)C ZINC001449314945 1014405079 /nfs/dbraw/zinc/40/50/79/1014405079.db2.gz JMNXXLHWABMIFK-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549726389 1014427681 /nfs/dbraw/zinc/42/76/81/1014427681.db2.gz IHVCYHMTGRWWFB-LBPRGKRZSA-N 1 3 314.393 0.509 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC001550061464 1014540782 /nfs/dbraw/zinc/54/07/82/1014540782.db2.gz VRYFEGRKSSLVTL-KBPBESRZSA-N 1 3 317.368 0.585 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)C2)nn1 ZINC001550062362 1014541408 /nfs/dbraw/zinc/54/14/08/1014541408.db2.gz JGVFSCHBYCHDTM-IJEWVQPXSA-N 1 3 318.425 0.433 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001550085507 1014556457 /nfs/dbraw/zinc/55/64/57/1014556457.db2.gz QETFXOIXFVKZRC-ZIAGYGMSSA-N 1 3 311.426 0.206 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202429 1014625845 /nfs/dbraw/zinc/62/58/45/1014625845.db2.gz MGHMPPVJBDLBSI-KGLIPLIRSA-N 1 3 322.453 0.174 20 0 DCADHO CC(C)[C@H]([NH3+])CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200210 1014626229 /nfs/dbraw/zinc/62/62/29/1014626229.db2.gz DJDGZTZCPNTWIW-CQSZACIVSA-N 1 3 324.469 0.692 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC001550204027 1014628981 /nfs/dbraw/zinc/62/89/81/1014628981.db2.gz RXHUQWTUZNVUKK-UHFFFAOYSA-N 1 3 322.453 0.318 20 0 DCADHO CC[C@H](C(=O)N(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001523410043 1014694108 /nfs/dbraw/zinc/69/41/08/1014694108.db2.gz CADBWGMTHZPMCO-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001523410043 1014694112 /nfs/dbraw/zinc/69/41/12/1014694112.db2.gz CADBWGMTHZPMCO-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001550736517 1014826996 /nfs/dbraw/zinc/82/69/96/1014826996.db2.gz ROPUCKVXPCJOJZ-LZWOXQAQSA-N 1 3 318.421 0.631 20 0 DCADHO C[C@@H]1NCCN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)[C@H]1C ZINC001550755912 1014842751 /nfs/dbraw/zinc/84/27/51/1014842751.db2.gz MZQPRGQEFNGYPH-IHRRRGAJSA-N 1 3 310.442 0.537 20 0 DCADHO CN(C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C(=O)CC[NH+](C)C ZINC001450133973 1014936059 /nfs/dbraw/zinc/93/60/59/1014936059.db2.gz VUAQKOOJQOWNPS-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+]1C[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@H]2C1 ZINC001551201310 1014991323 /nfs/dbraw/zinc/99/13/23/1014991323.db2.gz OGRXEKUEKAACBH-IIAWOOMASA-N 1 3 322.453 0.443 20 0 DCADHO CC1([NH+]2CCCC2)CCC(NC(=O)N2CCNC[C@H](O)C2)CC1 ZINC001551469658 1015105220 /nfs/dbraw/zinc/10/52/20/1015105220.db2.gz CCMCZKTYPVXNCO-CKDBGZEDSA-N 1 3 324.469 0.759 20 0 DCADHO CC1([NH+]2CCC2)CCC(NC(=O)NC[C@@H]2CNCCO2)CC1 ZINC001551472748 1015107339 /nfs/dbraw/zinc/10/73/39/1015107339.db2.gz MRFGTPHBKRZVLM-BBBYJDLNSA-N 1 3 310.442 0.681 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001384427807 985568307 /nfs/dbraw/zinc/56/83/07/985568307.db2.gz XWHSDBKZTMYVAT-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1)N(C)C ZINC001384565150 985667232 /nfs/dbraw/zinc/66/72/32/985667232.db2.gz QSYHWHIXSYGAEP-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001385270395 986199358 /nfs/dbraw/zinc/19/93/58/986199358.db2.gz JZDJRAOXRIPQLI-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001386065298 986792669 /nfs/dbraw/zinc/79/26/69/986792669.db2.gz WSSBNERYKLZELW-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001386310990 987062002 /nfs/dbraw/zinc/06/20/02/987062002.db2.gz BQZYOBOICOVHMZ-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001386413992 987135013 /nfs/dbraw/zinc/13/50/13/987135013.db2.gz OEYMTPZLJRYZEW-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001552188173 1015311540 /nfs/dbraw/zinc/31/15/40/1015311540.db2.gz UGMFHFZODXOFIW-INMHGKMJSA-N 1 3 324.469 0.868 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)CNC(=O)C1(N(C)C)CCC1 ZINC001532238345 1015318255 /nfs/dbraw/zinc/31/82/55/1015318255.db2.gz XXBJFSXNOZCRPE-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)CNC(=O)C1(N(C)C)CCC1 ZINC001532238345 1015318268 /nfs/dbraw/zinc/31/82/68/1015318268.db2.gz XXBJFSXNOZCRPE-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001526693961 1015321029 /nfs/dbraw/zinc/32/10/29/1015321029.db2.gz HIXBSXJBAXBWGE-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001526693961 1015321034 /nfs/dbraw/zinc/32/10/34/1015321034.db2.gz HIXBSXJBAXBWGE-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001387259915 987735796 /nfs/dbraw/zinc/73/57/96/987735796.db2.gz WEHFFUXXOFSIHH-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)CCC[NH+](C)C)C1 ZINC001388101748 988043616 /nfs/dbraw/zinc/04/36/16/988043616.db2.gz CSSUSIGVHQCXPF-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)N(C)C ZINC001387756152 988121768 /nfs/dbraw/zinc/12/17/68/988121768.db2.gz JFUBHFOQQFRUBU-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)N(C)C ZINC001387756152 988121772 /nfs/dbraw/zinc/12/17/72/988121772.db2.gz JFUBHFOQQFRUBU-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001387894363 988261005 /nfs/dbraw/zinc/26/10/05/988261005.db2.gz RXZUTRAWEDFJNW-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001388680543 988505745 /nfs/dbraw/zinc/50/57/45/988505745.db2.gz GJGXBSHGWJFGEF-OKILXGFUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC1CC[NH+](CC(=O)[O-])CC1 ZINC001599835830 988740726 /nfs/dbraw/zinc/74/07/26/988740726.db2.gz IYNDERXFEVUFLC-AWEZNQCLSA-N 1 3 314.474 0.397 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCN1CC[NH+](C(C)C)CC1 ZINC001389410511 989212356 /nfs/dbraw/zinc/21/23/56/989212356.db2.gz OMNAUDZEUBUSGG-OAHLLOKOSA-N 1 3 316.465 0.809 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CCN2C(=O)CCC[NH+](C)C)C1 ZINC001389775633 989563263 /nfs/dbraw/zinc/56/32/63/989563263.db2.gz WYPOYRWQILCBKR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(Cc1n[nH]c([C@@H]2C[C@@H](F)CN2)n1)C(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552679219 1015487798 /nfs/dbraw/zinc/48/77/98/1015487798.db2.gz DTJGUNHHHBMHMX-UTUOFQBUSA-N 1 3 324.404 0.525 20 0 DCADHO CCC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001389800478 989591651 /nfs/dbraw/zinc/59/16/51/989591651.db2.gz VUQUDKYJAKRHRS-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC1(C)CN(C(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CCN1 ZINC001552701481 1015499648 /nfs/dbraw/zinc/49/96/48/1015499648.db2.gz YIEBVABZNXYYAV-AAEUAGOBSA-N 1 3 306.414 0.545 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001390594441 990229025 /nfs/dbraw/zinc/22/90/25/990229025.db2.gz PSKSXCUCBJSUJS-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC001552851147 1015552314 /nfs/dbraw/zinc/55/23/14/1015552314.db2.gz LQVZERCSMXQWSR-WMZOPIPTSA-N 1 3 320.481 0.757 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cnc(C)nc1 ZINC001391747126 991154396 /nfs/dbraw/zinc/15/43/96/991154396.db2.gz ZMCFCILDFNDBHU-HNNXBMFYSA-N 1 3 317.437 0.865 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC2(CCN([C@@H]3CCNC3=O)C2)CC1 ZINC001391870906 991241464 /nfs/dbraw/zinc/24/14/64/991241464.db2.gz RAHYADXBGQBMHY-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001392070492 991461578 /nfs/dbraw/zinc/46/15/78/991461578.db2.gz AGHLQRNYSKLWIS-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001392160477 991560452 /nfs/dbraw/zinc/56/04/52/991560452.db2.gz CDLVYWFKAIRNLZ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001392160477 991560460 /nfs/dbraw/zinc/56/04/60/991560460.db2.gz CDLVYWFKAIRNLZ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1)CC(C)(C)C ZINC001392348154 991786517 /nfs/dbraw/zinc/78/65/17/991786517.db2.gz OUSQGTGXAWCXBC-HUUCEWRRSA-N 1 3 311.470 0.879 20 0 DCADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1)CC(C)(C)C ZINC001392348154 991786524 /nfs/dbraw/zinc/78/65/24/991786524.db2.gz OUSQGTGXAWCXBC-HUUCEWRRSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN(C)C1CCC1 ZINC001392421062 991907984 /nfs/dbraw/zinc/90/79/84/991907984.db2.gz ZIJQQPABXRBOJO-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392483132 991988686 /nfs/dbraw/zinc/98/86/86/991988686.db2.gz XWEMHVYQKAMKTK-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392483132 991988691 /nfs/dbraw/zinc/98/86/91/991988691.db2.gz XWEMHVYQKAMKTK-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392506787 992023087 /nfs/dbraw/zinc/02/30/87/992023087.db2.gz SXKMZZOXLIMZAO-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CCCC1)NC(=O)CC[NH+](C)C ZINC001392592228 992135200 /nfs/dbraw/zinc/13/52/00/992135200.db2.gz JYHXYUWTNMILPE-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392731027 992333676 /nfs/dbraw/zinc/33/36/76/992333676.db2.gz VRICNJWRWSPJKP-UONOGXRCSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392731027 992333687 /nfs/dbraw/zinc/33/36/87/992333687.db2.gz VRICNJWRWSPJKP-UONOGXRCSA-N 1 3 307.442 0.351 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCN2CCCC2=O)CC1 ZINC001392964916 992589515 /nfs/dbraw/zinc/58/95/15/992589515.db2.gz NAHFUKOVJOEFSZ-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001393045192 992646920 /nfs/dbraw/zinc/64/69/20/992646920.db2.gz SMLHPMCYONLLAX-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001393045192 992646923 /nfs/dbraw/zinc/64/69/23/992646923.db2.gz SMLHPMCYONLLAX-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(=O)N(C)C ZINC001393051637 992651731 /nfs/dbraw/zinc/65/17/31/992651731.db2.gz HOQKDBBTXWYZJI-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001393051349 992651895 /nfs/dbraw/zinc/65/18/95/992651895.db2.gz GJRBEQKUQVSRSL-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001393058916 992657939 /nfs/dbraw/zinc/65/79/39/992657939.db2.gz UOJMIEDZZQCEHJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CCCC(=O)NCC1(C)CCN([C@@H]2CCNC2=O)CC1 ZINC001393180623 992729753 /nfs/dbraw/zinc/72/97/53/992729753.db2.gz LSNLFRMHNFUVBA-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001393496263 993033484 /nfs/dbraw/zinc/03/34/84/993033484.db2.gz YMPRYCWCFAFFRP-LXTVHRRPSA-N 1 3 324.469 0.467 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001393583673 993104847 /nfs/dbraw/zinc/10/48/47/993104847.db2.gz KJTCPRHHUKIPCP-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCc2cnn(C)c2)C1 ZINC001393583673 993104853 /nfs/dbraw/zinc/10/48/53/993104853.db2.gz KJTCPRHHUKIPCP-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001393601468 993118391 /nfs/dbraw/zinc/11/83/91/993118391.db2.gz SEGLRJHLKMXNAP-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C(C)C)CC1 ZINC001393601468 993118394 /nfs/dbraw/zinc/11/83/94/993118394.db2.gz SEGLRJHLKMXNAP-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001393650004 993155348 /nfs/dbraw/zinc/15/53/48/993155348.db2.gz WYHJJWLNNDUCLO-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001393650004 993155351 /nfs/dbraw/zinc/15/53/51/993155351.db2.gz WYHJJWLNNDUCLO-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001393746561 993219486 /nfs/dbraw/zinc/21/94/86/993219486.db2.gz KLNSFCACGRGHQD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001393751178 993224947 /nfs/dbraw/zinc/22/49/47/993224947.db2.gz OFKWNEQUZFFGEX-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCn1cccn1 ZINC001394070649 993454625 /nfs/dbraw/zinc/45/46/25/993454625.db2.gz SARUKMQMCOHIES-ZBFHGGJFSA-N 1 3 319.453 0.661 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)N(C)CCn1cccn1)[NH+](C)C ZINC001394081207 993462732 /nfs/dbraw/zinc/46/27/32/993462732.db2.gz WWJDDYFOQLNFKH-GJZGRUSLSA-N 1 3 309.458 0.906 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001394092872 993471759 /nfs/dbraw/zinc/47/17/59/993471759.db2.gz UYQSRPBQAVVUJK-CYBMUJFWSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)CCn1cncn1)[NH+](C)C ZINC001394125204 993497020 /nfs/dbraw/zinc/49/70/20/993497020.db2.gz LEWZRKWIPVJZCM-UONOGXRCSA-N 1 3 310.446 0.301 20 0 DCADHO CNC(=O)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCN1C)C(C)C ZINC001394176883 993531048 /nfs/dbraw/zinc/53/10/48/993531048.db2.gz VWVINWOXYKTSHO-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001394193611 993534567 /nfs/dbraw/zinc/53/45/67/993534567.db2.gz UUNVTIOHWUHSJB-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC001394394203 993675650 /nfs/dbraw/zinc/67/56/50/993675650.db2.gz FGNVUQNOYDBNSA-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC001394394203 993675654 /nfs/dbraw/zinc/67/56/54/993675654.db2.gz FGNVUQNOYDBNSA-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001394494380 993765088 /nfs/dbraw/zinc/76/50/88/993765088.db2.gz FFSZCQWWAJHFFG-CHWSQXEVSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N1CC[C@@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399921873 993930165 /nfs/dbraw/zinc/93/01/65/993930165.db2.gz CKWAFQAOQOGVQE-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001394676257 994007202 /nfs/dbraw/zinc/00/72/02/994007202.db2.gz UHPPPAMBRQETID-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001394676264 994007950 /nfs/dbraw/zinc/00/79/50/994007950.db2.gz UHPPPAMBRQETID-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@H]1C ZINC001394682309 994015886 /nfs/dbraw/zinc/01/58/86/994015886.db2.gz VOTLCTRCNXAAIF-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@H]1C ZINC001394682309 994015891 /nfs/dbraw/zinc/01/58/91/994015891.db2.gz VOTLCTRCNXAAIF-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001400092492 994148849 /nfs/dbraw/zinc/14/88/49/994148849.db2.gz LMPVEXIXVSJKFW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001400092492 994148855 /nfs/dbraw/zinc/14/88/55/994148855.db2.gz LMPVEXIXVSJKFW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001400187384 994253825 /nfs/dbraw/zinc/25/38/25/994253825.db2.gz RXOJXAXXLKLGKU-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(C)C(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001400187384 994253837 /nfs/dbraw/zinc/25/38/37/994253837.db2.gz RXOJXAXXLKLGKU-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001395110960 994438794 /nfs/dbraw/zinc/43/87/94/994438794.db2.gz PZQKWLQWMMLCJU-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001400488974 994578664 /nfs/dbraw/zinc/57/86/64/994578664.db2.gz XZWPEEBWXNGUBJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001400488974 994578674 /nfs/dbraw/zinc/57/86/74/994578674.db2.gz XZWPEEBWXNGUBJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001400583576 994677796 /nfs/dbraw/zinc/67/77/96/994677796.db2.gz RJFTVFGTMQAQCL-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001400583576 994677797 /nfs/dbraw/zinc/67/77/97/994677797.db2.gz RJFTVFGTMQAQCL-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001401089318 995163828 /nfs/dbraw/zinc/16/38/28/995163828.db2.gz CFLFFWDSIUCDFQ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001401089318 995163834 /nfs/dbraw/zinc/16/38/34/995163834.db2.gz CFLFFWDSIUCDFQ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC1CC1)N(C)C ZINC001401089809 995165408 /nfs/dbraw/zinc/16/54/08/995165408.db2.gz HZYSHIBCAKYHPF-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001396362753 995342821 /nfs/dbraw/zinc/34/28/21/995342821.db2.gz OCRXLIWYEGYJIY-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001396832968 995636524 /nfs/dbraw/zinc/63/65/24/995636524.db2.gz MFAJSWWTZAPQJC-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001396832968 995636528 /nfs/dbraw/zinc/63/65/28/995636528.db2.gz MFAJSWWTZAPQJC-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001396931977 995691329 /nfs/dbraw/zinc/69/13/29/995691329.db2.gz BHTLFFKDGQDRHB-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001396931977 995691332 /nfs/dbraw/zinc/69/13/32/995691332.db2.gz BHTLFFKDGQDRHB-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001397075005 995783709 /nfs/dbraw/zinc/78/37/09/995783709.db2.gz DAQNIAXGMWDZIY-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001397129844 995813623 /nfs/dbraw/zinc/81/36/23/995813623.db2.gz FCJORVIKMQOGNY-SYQHCUMBSA-N 1 3 312.458 0.321 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001397213538 995868428 /nfs/dbraw/zinc/86/84/28/995868428.db2.gz PGCHLXPROPQZTJ-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397213538 995868433 /nfs/dbraw/zinc/86/84/33/995868433.db2.gz PGCHLXPROPQZTJ-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397234899 995877595 /nfs/dbraw/zinc/87/75/95/995877595.db2.gz UNIWPYZTMVWLMN-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397234899 995877598 /nfs/dbraw/zinc/87/75/98/995877598.db2.gz UNIWPYZTMVWLMN-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1nc([C@H](C)N[C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001507116334 1015997820 /nfs/dbraw/zinc/99/78/20/1015997820.db2.gz FJPGYQADIIBKLU-RYUDHWBXSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001398038323 996328191 /nfs/dbraw/zinc/32/81/91/996328191.db2.gz GTISOPCBYDENQP-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398038323 996328198 /nfs/dbraw/zinc/32/81/98/996328198.db2.gz GTISOPCBYDENQP-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCn2cccn2)C2CC2)C1 ZINC001398458215 996528143 /nfs/dbraw/zinc/52/81/43/996528143.db2.gz SPWFBAUXJUQFQA-GDBMZVCRSA-N 1 3 319.453 0.709 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001398632563 996614296 /nfs/dbraw/zinc/61/42/96/996614296.db2.gz YOQLHQAJSFFUQV-BETUJISGSA-N 1 3 308.430 0.295 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001398632617 996614702 /nfs/dbraw/zinc/61/47/02/996614702.db2.gz YTUNMEGCZUTRHA-XJFOESAGSA-N 1 3 310.442 0.088 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001398723851 996657756 /nfs/dbraw/zinc/65/77/56/996657756.db2.gz INAKXAAILGJXHY-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001398773553 996682112 /nfs/dbraw/zinc/68/21/12/996682112.db2.gz RPEKDTYKEVCEKI-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO COc1ncc(CN[C@H](C)CNC(=O)CC[NH+](C)C)c(C)n1 ZINC001399023253 996844930 /nfs/dbraw/zinc/84/49/30/996844930.db2.gz JGVQJDDHXOSKKA-LLVKDONJSA-N 1 3 309.414 0.340 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)NC(C)(C)C)[NH+](C)C ZINC001399037444 996873537 /nfs/dbraw/zinc/87/35/37/996873537.db2.gz MPRZLELDWKUYGK-GXTWGEPZSA-N 1 3 314.474 0.582 20 0 DCADHO CC1([NH2+]CCOCCO)CCN(C(=O)CN2CCCC2)CC1 ZINC001502809533 1016077832 /nfs/dbraw/zinc/07/78/32/1016077832.db2.gz ISJKGWHPUWKWMV-UHFFFAOYSA-N 1 3 313.442 0.062 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCCCN2C)C1=O ZINC001404324358 996982796 /nfs/dbraw/zinc/98/27/96/996982796.db2.gz NPSQGBPYSCBRKZ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001404490587 997165401 /nfs/dbraw/zinc/16/54/01/997165401.db2.gz YQXMIQKYRXCHCH-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1)N(C)C ZINC001404530201 997208968 /nfs/dbraw/zinc/20/89/68/997208968.db2.gz LPDJDIJDMWGTCT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1)N(C)C ZINC001404530201 997208976 /nfs/dbraw/zinc/20/89/76/997208976.db2.gz LPDJDIJDMWGTCT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404549114 997230169 /nfs/dbraw/zinc/23/01/69/997230169.db2.gz NSKPIHFYPBVKSV-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001507197605 1016114171 /nfs/dbraw/zinc/11/41/71/1016114171.db2.gz BZSDSWIIVKTHCY-DJIMGWMZSA-N 1 3 319.449 0.902 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001507197605 1016114176 /nfs/dbraw/zinc/11/41/76/1016114176.db2.gz BZSDSWIIVKTHCY-DJIMGWMZSA-N 1 3 319.449 0.902 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001507234536 1016159249 /nfs/dbraw/zinc/15/92/49/1016159249.db2.gz ZOSOJZUDRSMDQY-ZBFHGGJFSA-N 1 3 323.481 0.975 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H]1CCCNC1=O ZINC001405262307 998030386 /nfs/dbraw/zinc/03/03/86/998030386.db2.gz BUKSRKIBNARHHU-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(N)=O ZINC001405273076 998044686 /nfs/dbraw/zinc/04/46/86/998044686.db2.gz UVFJIZOPGOKRHU-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001507252346 1016184419 /nfs/dbraw/zinc/18/44/19/1016184419.db2.gz JFGUSVPACJVCMF-IAGOWNOFSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001507252346 1016184424 /nfs/dbraw/zinc/18/44/24/1016184424.db2.gz JFGUSVPACJVCMF-IAGOWNOFSA-N 1 3 319.449 0.904 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@@H](CO)[NH2+]CC2CC2)c1 ZINC001507266278 1016197942 /nfs/dbraw/zinc/19/79/42/1016197942.db2.gz YDNXAVSLYSJZCL-INIZCTEOSA-N 1 3 305.422 0.839 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001405649390 998432638 /nfs/dbraw/zinc/43/26/38/998432638.db2.gz RHWPGFFBOKPDGC-JGGQBBKZSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001405649390 998432650 /nfs/dbraw/zinc/43/26/50/998432650.db2.gz RHWPGFFBOKPDGC-JGGQBBKZSA-N 1 3 319.453 0.967 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCOCC2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001507290079 1016220559 /nfs/dbraw/zinc/22/05/59/1016220559.db2.gz WCAVDAVUXLQNSB-DOMZBBRYSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(=O)NC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001507295619 1016225100 /nfs/dbraw/zinc/22/51/00/1016225100.db2.gz NPZLTIKHPVFWRG-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@H]1C ZINC001507295346 1016225481 /nfs/dbraw/zinc/22/54/81/1016225481.db2.gz ALCUDMLQWZNTFM-HIFRSBDPSA-N 1 3 307.442 0.839 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001511293460 1016248944 /nfs/dbraw/zinc/24/89/44/1016248944.db2.gz WRNRMWADNIXPJV-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001505502109 1016277611 /nfs/dbraw/zinc/27/76/11/1016277611.db2.gz WXWXLWKJUNAYPL-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ns[nH]c1=O ZINC001470026085 1016380701 /nfs/dbraw/zinc/38/07/01/1016380701.db2.gz KOUMDZWBQSBSCH-VIFPVBQESA-N 1 3 301.416 0.246 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ns[nH]c1=O ZINC001470026085 1016380711 /nfs/dbraw/zinc/38/07/11/1016380711.db2.gz KOUMDZWBQSBSCH-VIFPVBQESA-N 1 3 301.416 0.246 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001401117542 1000205448 /nfs/dbraw/zinc/20/54/48/1000205448.db2.gz IHGOJRLIGWYRJJ-DZGCQCFKSA-N 1 3 322.457 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001401117542 1000205451 /nfs/dbraw/zinc/20/54/51/1000205451.db2.gz IHGOJRLIGWYRJJ-DZGCQCFKSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C[C@@H]2CCc3ncnn32)C1 ZINC001418496264 1000284490 /nfs/dbraw/zinc/28/44/90/1000284490.db2.gz RFSOPPJSNRRPDQ-KGLIPLIRSA-N 1 3 320.441 0.155 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C[C@@H]2CCc3ncnn32)C1 ZINC001418496264 1000284491 /nfs/dbraw/zinc/28/44/91/1000284491.db2.gz RFSOPPJSNRRPDQ-KGLIPLIRSA-N 1 3 320.441 0.155 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C)C1=O ZINC001401234467 1000295217 /nfs/dbraw/zinc/29/52/17/1000295217.db2.gz APRZDSUIORFGLT-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1CNCC(N)=O ZINC001401307743 1000341779 /nfs/dbraw/zinc/34/17/79/1000341779.db2.gz GUWAMDZILOCCQF-JSGCOSHPSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001418637162 1000411514 /nfs/dbraw/zinc/41/15/14/1000411514.db2.gz WTSFXIUJBMKHFJ-MELADBBJSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001418644920 1000416516 /nfs/dbraw/zinc/41/65/16/1000416516.db2.gz SNULRHLRDLCOTI-IJEWVQPXSA-N 1 3 321.469 0.787 20 0 DCADHO CCn1cc(CCN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001401440270 1000425192 /nfs/dbraw/zinc/42/51/92/1000425192.db2.gz RPRZWIMEEIQQRW-INIZCTEOSA-N 1 3 321.469 0.787 20 0 DCADHO CCn1cc(CCN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001401440270 1000425195 /nfs/dbraw/zinc/42/51/95/1000425195.db2.gz RPRZWIMEEIQQRW-INIZCTEOSA-N 1 3 321.469 0.787 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1)C1CCC1 ZINC001401547900 1000484082 /nfs/dbraw/zinc/48/40/82/1000484082.db2.gz IATDVPHYVROSSO-INIZCTEOSA-N 1 3 305.422 0.738 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418789308 1000521093 /nfs/dbraw/zinc/52/10/93/1000521093.db2.gz ILJQSUPUVBRMOL-DZGCQCFKSA-N 1 3 324.425 0.320 20 0 DCADHO CN(CC[NH2+][C@H]1CCN(C2CCC2)C1=O)C(=O)[C@H]1CCCN1C ZINC001418806445 1000535868 /nfs/dbraw/zinc/53/58/68/1000535868.db2.gz CLXQJTXKGZEIIC-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001418892987 1000596708 /nfs/dbraw/zinc/59/67/08/1000596708.db2.gz ROMSUTGVWZWSFW-HIFRSBDPSA-N 1 3 312.458 0.147 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCc2n[nH]c(C)n2)C1 ZINC001401700028 1000639982 /nfs/dbraw/zinc/63/99/82/1000639982.db2.gz ZNDJPMYQQAQNNB-JSGCOSHPSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCc2n[nH]c(C)n2)C1 ZINC001401700028 1000639986 /nfs/dbraw/zinc/63/99/86/1000639986.db2.gz ZNDJPMYQQAQNNB-JSGCOSHPSA-N 1 3 322.457 0.829 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001401776357 1000715134 /nfs/dbraw/zinc/71/51/34/1000715134.db2.gz FTFZERDTINWHEE-LBPRGKRZSA-N 1 3 310.446 0.283 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401875044 1000808186 /nfs/dbraw/zinc/80/81/86/1000808186.db2.gz SYWRWADLMNVNCU-UKRRQHHQSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401875044 1000808196 /nfs/dbraw/zinc/80/81/96/1000808196.db2.gz SYWRWADLMNVNCU-UKRRQHHQSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401873754 1000808311 /nfs/dbraw/zinc/80/83/11/1000808311.db2.gz SYWRWADLMNVNCU-DZGCQCFKSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401873754 1000808321 /nfs/dbraw/zinc/80/83/21/1000808321.db2.gz SYWRWADLMNVNCU-DZGCQCFKSA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)CC ZINC001419201700 1000877126 /nfs/dbraw/zinc/87/71/26/1000877126.db2.gz SZLNNYWXAZAMFU-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001402057648 1000981730 /nfs/dbraw/zinc/98/17/30/1000981730.db2.gz LKJAUAQKIVQWTG-ZDUSSCGKSA-N 1 3 308.430 0.238 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001402061768 1000985606 /nfs/dbraw/zinc/98/56/06/1000985606.db2.gz NXQAPQLSHQMNPA-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001419355401 1000996780 /nfs/dbraw/zinc/99/67/80/1000996780.db2.gz SSGWWBFJAJUFKL-DCGLDWPTSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001419355401 1000996785 /nfs/dbraw/zinc/99/67/85/1000996785.db2.gz SSGWWBFJAJUFKL-DCGLDWPTSA-N 1 3 324.469 0.337 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001419377230 1001008487 /nfs/dbraw/zinc/00/84/87/1001008487.db2.gz WYIBUYQPMMPJMF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)CNCCF)[NH+]1CCCC1 ZINC001507567987 1016457893 /nfs/dbraw/zinc/45/78/93/1016457893.db2.gz PCDQVHQZJQHTBX-ZIAGYGMSSA-N 1 3 303.422 0.485 20 0 DCADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001402175379 1001085578 /nfs/dbraw/zinc/08/55/78/1001085578.db2.gz YGYABIFYXLNSDN-IIAWOOMASA-N 1 3 315.458 0.162 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001402186796 1001094867 /nfs/dbraw/zinc/09/48/67/1001094867.db2.gz FBQSYZZHPDTCPE-XJKSGUPXSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001402200732 1001106506 /nfs/dbraw/zinc/10/65/06/1001106506.db2.gz SSSYLDKUYPLCHF-MRXNPFEDSA-N 1 3 312.458 0.278 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001419539410 1001125182 /nfs/dbraw/zinc/12/51/82/1001125182.db2.gz QBSRGSYCYQNZMO-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001402267404 1001158387 /nfs/dbraw/zinc/15/83/87/1001158387.db2.gz JFXLFBXAKWLFIQ-DOTOQJQBSA-N 1 3 309.454 0.824 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001402267404 1001158400 /nfs/dbraw/zinc/15/84/00/1001158400.db2.gz JFXLFBXAKWLFIQ-DOTOQJQBSA-N 1 3 309.454 0.824 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC001402270348 1001159835 /nfs/dbraw/zinc/15/98/35/1001159835.db2.gz VIYJOYUXMVAOID-WBVHZDCISA-N 1 3 318.421 0.229 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001402270348 1001159838 /nfs/dbraw/zinc/15/98/38/1001159838.db2.gz VIYJOYUXMVAOID-WBVHZDCISA-N 1 3 318.421 0.229 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402414093 1001288165 /nfs/dbraw/zinc/28/81/65/1001288165.db2.gz ROMHPYFTLRUYNL-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC(C)(C)C)C1 ZINC001402445701 1001315802 /nfs/dbraw/zinc/31/58/02/1001315802.db2.gz TWAZVSFDLSQKJL-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001419817719 1001331138 /nfs/dbraw/zinc/33/11/38/1001331138.db2.gz IMTILDWWDZWTPJ-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419818262 1001331292 /nfs/dbraw/zinc/33/12/92/1001331292.db2.gz PMQUUNZDUXPKRI-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001419881387 1001381886 /nfs/dbraw/zinc/38/18/86/1001381886.db2.gz VXXRIPOHGRHYAM-CHWSQXEVSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001402627431 1001448498 /nfs/dbraw/zinc/44/84/98/1001448498.db2.gz CLFOUHMWUVOBKF-MGPQQGTHSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001402627431 1001448502 /nfs/dbraw/zinc/44/85/02/1001448502.db2.gz CLFOUHMWUVOBKF-MGPQQGTHSA-N 1 3 312.458 0.371 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001402751412 1001488967 /nfs/dbraw/zinc/48/89/67/1001488967.db2.gz AYUARARBRKZBLH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001402755906 1001490515 /nfs/dbraw/zinc/49/05/15/1001490515.db2.gz COIZOJRWPHPWFZ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001402882036 1001554704 /nfs/dbraw/zinc/55/47/04/1001554704.db2.gz MQBBENMXLNVXDR-KBPBESRZSA-N 1 3 315.458 0.353 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001402882027 1001554803 /nfs/dbraw/zinc/55/48/03/1001554803.db2.gz MOODTTAVFWQTGE-BLLLJJGKSA-N 1 3 319.453 0.665 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001402894294 1001560450 /nfs/dbraw/zinc/56/04/50/1001560450.db2.gz KKXHFVNWMSUZLD-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001402921919 1001579978 /nfs/dbraw/zinc/57/99/78/1001579978.db2.gz QNGBIZVWDKRIGQ-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCCCC1 ZINC001402978040 1001615116 /nfs/dbraw/zinc/61/51/16/1001615116.db2.gz JOTHUBWTSRHUFU-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001402985112 1001618243 /nfs/dbraw/zinc/61/82/43/1001618243.db2.gz BDBYSUKQCNMVOL-IUODEOHRSA-N 1 3 307.442 0.966 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001403017447 1001633890 /nfs/dbraw/zinc/63/38/90/1001633890.db2.gz ZCZBVZRTGFALFY-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N[C@H]2CCNC2=O)CC1 ZINC001403074228 1001662220 /nfs/dbraw/zinc/66/22/20/1001662220.db2.gz BIUWYPBVOQMBGG-OCCSQVGLSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCn1cccn1 ZINC001403181643 1001709851 /nfs/dbraw/zinc/70/98/51/1001709851.db2.gz LAZGMCSOUGMQPL-AWEZNQCLSA-N 1 3 305.426 0.415 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001419975459 1001737450 /nfs/dbraw/zinc/73/74/50/1001737450.db2.gz YYKORWKWGFWOLV-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001419975459 1001737457 /nfs/dbraw/zinc/73/74/57/1001737457.db2.gz YYKORWKWGFWOLV-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001403307009 1001797892 /nfs/dbraw/zinc/79/78/92/1001797892.db2.gz GOSCIBRPQJPKAJ-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001403307009 1001797896 /nfs/dbraw/zinc/79/78/96/1001797896.db2.gz GOSCIBRPQJPKAJ-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001403366717 1001885910 /nfs/dbraw/zinc/88/59/10/1001885910.db2.gz XCCYMLYTESZLDI-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001505763981 1016536427 /nfs/dbraw/zinc/53/64/27/1016536427.db2.gz XHMDBXFZSGBBDD-ZFWWWQNUSA-N 1 3 312.458 0.241 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001424728849 1001957718 /nfs/dbraw/zinc/95/77/18/1001957718.db2.gz YBQWUCNQKQIHHI-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCc2ccccc2F)CC1 ZINC001420162473 1001958416 /nfs/dbraw/zinc/95/84/16/1001958416.db2.gz ZLUBJBIWOGFVOJ-AWEZNQCLSA-N 1 3 323.412 0.734 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001403490485 1002023626 /nfs/dbraw/zinc/02/36/26/1002023626.db2.gz SHVRIIZHQKSIGP-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001403490485 1002023636 /nfs/dbraw/zinc/02/36/36/1002023636.db2.gz SHVRIIZHQKSIGP-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001424791743 1002030887 /nfs/dbraw/zinc/03/08/87/1002030887.db2.gz QMDXCLAVVVYLDA-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO COc1ncc(CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)c(C)n1 ZINC001424804263 1002040769 /nfs/dbraw/zinc/04/07/69/1002040769.db2.gz KOKRNPFTJOYMSX-RYUDHWBXSA-N 1 3 323.441 0.728 20 0 DCADHO CC(C)c1nc(CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)n[nH]1 ZINC001424808230 1002048492 /nfs/dbraw/zinc/04/84/92/1002048492.db2.gz QURRVYALIPWXFR-RYUDHWBXSA-N 1 3 310.446 0.863 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001424850096 1002095650 /nfs/dbraw/zinc/09/56/50/1002095650.db2.gz HGMYMOHVEWLPEJ-QWHCGFSZSA-N 1 3 314.474 0.724 20 0 DCADHO CN(CCNC(=O)CCC[NH+](C)C)C[C@@H]1CCc2ncnn21 ZINC001420294533 1002181392 /nfs/dbraw/zinc/18/13/92/1002181392.db2.gz QIDMXXDHMLKXER-ZDUSSCGKSA-N 1 3 308.430 0.155 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCc1cncn1C)[NH+](C)C ZINC001403598765 1002187857 /nfs/dbraw/zinc/18/78/57/1002187857.db2.gz KAHKYSIWFNWZKG-UKRRQHHQSA-N 1 3 309.458 0.943 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420366267 1002287072 /nfs/dbraw/zinc/28/70/72/1002287072.db2.gz NQSXCQZLJQYBGO-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420366267 1002287080 /nfs/dbraw/zinc/28/70/80/1002287080.db2.gz NQSXCQZLJQYBGO-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCc1ccnn1C ZINC001425079688 1002331248 /nfs/dbraw/zinc/33/12/48/1002331248.db2.gz UNEYDBTZHVKDEM-KBPBESRZSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCc1ccnn1C ZINC001425079688 1002331258 /nfs/dbraw/zinc/33/12/58/1002331258.db2.gz UNEYDBTZHVKDEM-KBPBESRZSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1 ZINC001505851609 1016613757 /nfs/dbraw/zinc/61/37/57/1016613757.db2.gz VPROIWQQEKQNDK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001505851808 1016614999 /nfs/dbraw/zinc/61/49/99/1016614999.db2.gz ZZSCGPQECOCXFR-ZDUSSCGKSA-N 1 3 319.409 0.011 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001420425695 1002401016 /nfs/dbraw/zinc/40/10/16/1002401016.db2.gz XWEMHVYQKAMKTK-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001420425695 1002401018 /nfs/dbraw/zinc/40/10/18/1002401018.db2.gz XWEMHVYQKAMKTK-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](NC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001420431862 1002409926 /nfs/dbraw/zinc/40/99/26/1002409926.db2.gz DETQOJJTUQENPB-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCc1ccnn1C ZINC001420448513 1002433945 /nfs/dbraw/zinc/43/39/45/1002433945.db2.gz NWZFLLOLNMLEOO-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCc1ccnn1C ZINC001420448513 1002433953 /nfs/dbraw/zinc/43/39/53/1002433953.db2.gz NWZFLLOLNMLEOO-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001403737936 1002447919 /nfs/dbraw/zinc/44/79/19/1002447919.db2.gz YIRRRKSZSVYFKX-IRXDYDNUSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001403737936 1002447925 /nfs/dbraw/zinc/44/79/25/1002447925.db2.gz YIRRRKSZSVYFKX-IRXDYDNUSA-N 1 3 319.449 0.904 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001403747336 1002462339 /nfs/dbraw/zinc/46/23/39/1002462339.db2.gz OIRAYYVECFMGEL-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC001425254309 1002483268 /nfs/dbraw/zinc/48/32/68/1002483268.db2.gz LNLCAMRGRYECLM-TZMCWYRMSA-N 1 3 320.441 0.154 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001403793209 1002528144 /nfs/dbraw/zinc/52/81/44/1002528144.db2.gz UCNGSKKPIGGNDP-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001425418090 1002659435 /nfs/dbraw/zinc/65/94/35/1002659435.db2.gz ZHBRJGONXDXYBS-HDJSIYSDSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001508155042 1016673144 /nfs/dbraw/zinc/67/31/44/1016673144.db2.gz LKKRXOIORQXEAQ-LRVUVFPRSA-N 1 3 324.469 0.573 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001403962145 1002806648 /nfs/dbraw/zinc/80/66/48/1002806648.db2.gz HBAPWVLQEZNAPW-ZIAGYGMSSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001425664411 1002941175 /nfs/dbraw/zinc/94/11/75/1002941175.db2.gz UYQIZNHUVMREPQ-WFASDCNBSA-N 1 3 303.422 0.628 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN([C@@H]3CCCNC3=O)C2)CC1 ZINC001404078497 1002981407 /nfs/dbraw/zinc/98/14/07/1002981407.db2.gz YEPBXHAFJTWXRW-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001425813588 1003139291 /nfs/dbraw/zinc/13/92/91/1003139291.db2.gz ZAJKFWYLCAXXNS-WFASDCNBSA-N 1 3 311.401 0.905 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001420940275 1003156884 /nfs/dbraw/zinc/15/68/84/1003156884.db2.gz OQRJSBZZJOXZIQ-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001420940275 1003156886 /nfs/dbraw/zinc/15/68/86/1003156886.db2.gz OQRJSBZZJOXZIQ-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C[C@@H]1C ZINC001425887758 1003224757 /nfs/dbraw/zinc/22/47/57/1003224757.db2.gz KTTJIHQVPMNNSM-UONOGXRCSA-N 1 3 307.442 0.839 20 0 DCADHO CCCC[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001421006324 1003231020 /nfs/dbraw/zinc/23/10/20/1003231020.db2.gz ZGLLNRBBXIPMES-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CCCC[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001421006324 1003231028 /nfs/dbraw/zinc/23/10/28/1003231028.db2.gz ZGLLNRBBXIPMES-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(N)=O ZINC001406006594 1003257728 /nfs/dbraw/zinc/25/77/28/1003257728.db2.gz VJIQRPLTGMJFHC-YPMHNXCESA-N 1 3 307.398 0.187 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C(C)(C)C1 ZINC001425960786 1003286930 /nfs/dbraw/zinc/28/69/30/1003286930.db2.gz IEMQYGILEXSXAL-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1cncc(C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C(C)C)c1 ZINC001426056854 1003384837 /nfs/dbraw/zinc/38/48/37/1003384837.db2.gz SIUYQEUWUXXOKX-MRXNPFEDSA-N 1 3 322.453 0.639 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001406183146 1003451976 /nfs/dbraw/zinc/45/19/76/1003451976.db2.gz MPWWMJKPUFFJRU-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001421248870 1003480911 /nfs/dbraw/zinc/48/09/11/1003480911.db2.gz CBCHFIDJAKYEFK-YOEHRIQHSA-N 1 3 324.469 0.293 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C)n[nH]1 ZINC001426166699 1003633147 /nfs/dbraw/zinc/63/31/47/1003633147.db2.gz OGEMTSSVMWOYEQ-STQMWFEESA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C)n[nH]1 ZINC001426166699 1003633150 /nfs/dbraw/zinc/63/31/50/1003633150.db2.gz OGEMTSSVMWOYEQ-STQMWFEESA-N 1 3 322.457 0.685 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001406365007 1003643406 /nfs/dbraw/zinc/64/34/06/1003643406.db2.gz KODNZYYMJBNVFV-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001406365007 1003643410 /nfs/dbraw/zinc/64/34/10/1003643410.db2.gz KODNZYYMJBNVFV-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001406369613 1003649248 /nfs/dbraw/zinc/64/92/48/1003649248.db2.gz UWDPNNADHOKORX-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001426237915 1003670542 /nfs/dbraw/zinc/67/05/42/1003670542.db2.gz PMNZEAWPPVHMMT-LRVUVFPRSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001406433767 1003714072 /nfs/dbraw/zinc/71/40/72/1003714072.db2.gz RCZIIRPJYSPVOB-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406511915 1003776262 /nfs/dbraw/zinc/77/62/62/1003776262.db2.gz FRKTWSOXBRDEGQ-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406511915 1003776269 /nfs/dbraw/zinc/77/62/69/1003776269.db2.gz FRKTWSOXBRDEGQ-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001406522265 1003786963 /nfs/dbraw/zinc/78/69/63/1003786963.db2.gz RFTREJJBAZMMRB-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001428657823 1004094403 /nfs/dbraw/zinc/09/44/03/1004094403.db2.gz OAJZHQZAYYFYNI-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428657823 1004094406 /nfs/dbraw/zinc/09/44/06/1004094406.db2.gz OAJZHQZAYYFYNI-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001406786177 1004095694 /nfs/dbraw/zinc/09/56/94/1004095694.db2.gz PZDWZQCJCKMKAV-CQSZACIVSA-N 1 3 322.453 0.091 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1)CC(C)(C)C ZINC001406798740 1004105178 /nfs/dbraw/zinc/10/51/78/1004105178.db2.gz RARASRNGTVYENW-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001406996939 1004296437 /nfs/dbraw/zinc/29/64/37/1004296437.db2.gz XSVCGIWIUREHHK-ZDUSSCGKSA-N 1 3 306.410 0.926 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001427362768 1004344111 /nfs/dbraw/zinc/34/41/11/1004344111.db2.gz PVKPVHNPWCIORK-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001427362768 1004344112 /nfs/dbraw/zinc/34/41/12/1004344112.db2.gz PVKPVHNPWCIORK-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001429093364 1004381590 /nfs/dbraw/zinc/38/15/90/1004381590.db2.gz YXKJAKANVQHNAL-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001407264771 1004504055 /nfs/dbraw/zinc/50/40/55/1004504055.db2.gz MHUTWAJJVFNTMK-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(C)CCN([C@@H]2CCNC2=O)CC1 ZINC001407270255 1004507467 /nfs/dbraw/zinc/50/74/67/1004507467.db2.gz DKQJLOAKJIYOHO-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001429584797 1004683450 /nfs/dbraw/zinc/68/34/50/1004683450.db2.gz KTZBEDUDVPFGKN-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001429584797 1004683461 /nfs/dbraw/zinc/68/34/61/1004683461.db2.gz KTZBEDUDVPFGKN-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407537023 1004717695 /nfs/dbraw/zinc/71/76/95/1004717695.db2.gz KCNHYHQXHXOCAP-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO CCN(CC)CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001429667987 1004721886 /nfs/dbraw/zinc/72/18/86/1004721886.db2.gz WJCLQYLTESXONZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001429667987 1004721891 /nfs/dbraw/zinc/72/18/91/1004721891.db2.gz WJCLQYLTESXONZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001408071893 1005018069 /nfs/dbraw/zinc/01/80/69/1005018069.db2.gz SVVKOMADUKJUQI-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001408293924 1005145113 /nfs/dbraw/zinc/14/51/13/1005145113.db2.gz OHHGBHBAAVYHNM-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001408293924 1005145115 /nfs/dbraw/zinc/14/51/15/1005145115.db2.gz OHHGBHBAAVYHNM-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001414971661 1005434709 /nfs/dbraw/zinc/43/47/09/1005434709.db2.gz OUNZTNHHKPSSEC-KJWHEZOQSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001414971661 1005434711 /nfs/dbraw/zinc/43/47/11/1005434711.db2.gz OUNZTNHHKPSSEC-KJWHEZOQSA-N 1 3 324.469 0.430 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001415168956 1005474708 /nfs/dbraw/zinc/47/47/08/1005474708.db2.gz MGDXJSMSUUGZQI-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001415168956 1005474709 /nfs/dbraw/zinc/47/47/09/1005474709.db2.gz MGDXJSMSUUGZQI-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)CN(C)C1CCC1 ZINC001415525908 1005554270 /nfs/dbraw/zinc/55/42/70/1005554270.db2.gz YIUNLLUACKOGFY-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)CN(C)C1CCC1 ZINC001415525908 1005554271 /nfs/dbraw/zinc/55/42/71/1005554271.db2.gz YIUNLLUACKOGFY-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001417268598 1005813243 /nfs/dbraw/zinc/81/32/43/1005813243.db2.gz YBLPFEGINJLBPD-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001417268598 1005813245 /nfs/dbraw/zinc/81/32/45/1005813245.db2.gz YBLPFEGINJLBPD-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001417771555 1005887385 /nfs/dbraw/zinc/88/73/85/1005887385.db2.gz YPRABGLRQVYQLH-KFWWJZLASA-N 1 3 322.453 0.045 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001417786221 1005891015 /nfs/dbraw/zinc/89/10/15/1005891015.db2.gz GFGVSWPUGIEWRD-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001417818775 1005896667 /nfs/dbraw/zinc/89/66/67/1005896667.db2.gz BNLABBWWUDQGOK-HNNXBMFYSA-N 1 3 323.441 0.883 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001417842068 1005901358 /nfs/dbraw/zinc/90/13/58/1005901358.db2.gz WPLYQAAOSBFAHT-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CCC2)C1 ZINC001418043861 1005973164 /nfs/dbraw/zinc/97/31/64/1005973164.db2.gz MNOWSPAKPMAXIE-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CCC2)C1 ZINC001418043861 1005973170 /nfs/dbraw/zinc/97/31/70/1005973170.db2.gz MNOWSPAKPMAXIE-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001418060449 1005992481 /nfs/dbraw/zinc/99/24/81/1005992481.db2.gz HATNHIRHCZTXTJ-XEZPLFJOSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001438664668 1006002982 /nfs/dbraw/zinc/00/29/82/1006002982.db2.gz PDMDRFCEEFNBQB-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001418077575 1006009777 /nfs/dbraw/zinc/00/97/77/1006009777.db2.gz MVCIGLSYBSIVDI-MRVWCRGKSA-N 1 3 310.442 0.231 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001438676723 1006017916 /nfs/dbraw/zinc/01/79/16/1006017916.db2.gz AGFWTYBIPCBRKD-ZDUSSCGKSA-N 1 3 320.437 0.326 20 0 DCADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001438711823 1006055453 /nfs/dbraw/zinc/05/54/53/1006055453.db2.gz IBHFNVDCLWPQAZ-GFCCVEGCSA-N 1 3 306.410 0.284 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001418113781 1006057895 /nfs/dbraw/zinc/05/78/95/1006057895.db2.gz NAFINAXEWOIQPQ-YIYPIFLZSA-N 1 3 310.442 0.232 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001438718294 1006064393 /nfs/dbraw/zinc/06/43/93/1006064393.db2.gz GEMGWIHDPRMAHX-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNC[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001438744443 1006092035 /nfs/dbraw/zinc/09/20/35/1006092035.db2.gz VBANNSIHFDHIDF-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418147259 1006104686 /nfs/dbraw/zinc/10/46/86/1006104686.db2.gz PVHZYBYJMMTSSL-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCCNC1=O)C(C)C ZINC001438836598 1006153371 /nfs/dbraw/zinc/15/33/71/1006153371.db2.gz BWKFAFXOZWEOQW-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001418241617 1006232849 /nfs/dbraw/zinc/23/28/49/1006232849.db2.gz PYBPXKORELYVSR-YPMHNXCESA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001418241617 1006232860 /nfs/dbraw/zinc/23/28/60/1006232860.db2.gz PYBPXKORELYVSR-YPMHNXCESA-N 1 3 308.430 0.582 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001418241381 1006234100 /nfs/dbraw/zinc/23/41/00/1006234100.db2.gz CWSFYROXQGBYPB-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001418241381 1006234101 /nfs/dbraw/zinc/23/41/01/1006234101.db2.gz CWSFYROXQGBYPB-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001418278744 1006294862 /nfs/dbraw/zinc/29/48/62/1006294862.db2.gz AGHUOXDCWXRGMT-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1)C(N)=O ZINC001436805199 1006378456 /nfs/dbraw/zinc/37/84/56/1006378456.db2.gz GSGKHPLUVRVAPO-DGCLKSJQSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001418361066 1006424816 /nfs/dbraw/zinc/42/48/16/1006424816.db2.gz RDBQDTVZHSIXMG-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCC(=O)Nc2ccccc2)C1 ZINC001436912499 1006451437 /nfs/dbraw/zinc/45/14/37/1006451437.db2.gz QSCSJPKEVPUNOS-SHTZXODSSA-N 1 3 318.421 0.814 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439085658 1006452466 /nfs/dbraw/zinc/45/24/66/1006452466.db2.gz URMBWWSJKPVFBN-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439085658 1006452471 /nfs/dbraw/zinc/45/24/71/1006452471.db2.gz URMBWWSJKPVFBN-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CN1CCC(C)CC1 ZINC001439086383 1006455565 /nfs/dbraw/zinc/45/55/65/1006455565.db2.gz XPCAIIZREXOMTM-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccnn1C ZINC001418404246 1006478608 /nfs/dbraw/zinc/47/86/08/1006478608.db2.gz UXPVXGKSRQKGBG-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1cc(NC(=O)CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)on1 ZINC001436962149 1006486459 /nfs/dbraw/zinc/48/64/59/1006486459.db2.gz CQNYVHASQGTEOS-TXEJJXNPSA-N 1 3 323.397 0.110 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001439182635 1006554497 /nfs/dbraw/zinc/55/44/97/1006554497.db2.gz RPFFUYIUGJNNPE-CYBMUJFWSA-N 1 3 320.437 0.720 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001437076079 1006571722 /nfs/dbraw/zinc/57/17/22/1006571722.db2.gz WPQUDEOLMNQJGQ-DGTMBMJNSA-N 1 3 301.406 0.094 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001437076079 1006571727 /nfs/dbraw/zinc/57/17/27/1006571727.db2.gz WPQUDEOLMNQJGQ-DGTMBMJNSA-N 1 3 301.406 0.094 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001439246967 1006624336 /nfs/dbraw/zinc/62/43/36/1006624336.db2.gz XITAGXJLOQKRQZ-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001439246967 1006624338 /nfs/dbraw/zinc/62/43/38/1006624338.db2.gz XITAGXJLOQKRQZ-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439267796 1006643911 /nfs/dbraw/zinc/64/39/11/1006643911.db2.gz AUHIMEXWRACXNR-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439267796 1006643918 /nfs/dbraw/zinc/64/39/18/1006643918.db2.gz AUHIMEXWRACXNR-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001437207636 1006709495 /nfs/dbraw/zinc/70/94/95/1006709495.db2.gz NSGUHLGLFFLUNH-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439365848 1006760813 /nfs/dbraw/zinc/76/08/13/1006760813.db2.gz MDSAFPHSGNMFAM-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439365848 1006760824 /nfs/dbraw/zinc/76/08/24/1006760824.db2.gz MDSAFPHSGNMFAM-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001437311465 1006831327 /nfs/dbraw/zinc/83/13/27/1006831327.db2.gz MJHNDRPUZLOZCZ-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439485557 1006914064 /nfs/dbraw/zinc/91/40/64/1006914064.db2.gz SHZLXTNDWJYBKG-KGLIPLIRSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001439775136 1007189403 /nfs/dbraw/zinc/18/94/03/1007189403.db2.gz YIAQBDFJDAPJNB-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001437953152 1007531950 /nfs/dbraw/zinc/53/19/50/1007531950.db2.gz QFFCCTZDZZDCBR-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001437953152 1007531965 /nfs/dbraw/zinc/53/19/65/1007531965.db2.gz QFFCCTZDZZDCBR-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001440218154 1007588530 /nfs/dbraw/zinc/58/85/30/1007588530.db2.gz ILJVWJLBMGQUCT-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1nccc1CN[C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001440350763 1007688764 /nfs/dbraw/zinc/68/87/64/1007688764.db2.gz ROBPIMDADUWYAF-HDJSIYSDSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cnnn1C ZINC001438351660 1007852045 /nfs/dbraw/zinc/85/20/45/1007852045.db2.gz WIONIMCTSGJAOZ-CQSZACIVSA-N 1 3 322.457 0.531 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001438398296 1007881789 /nfs/dbraw/zinc/88/17/89/1007881789.db2.gz SWNUCFXZKREJOS-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](F)CN[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001440554425 1007883156 /nfs/dbraw/zinc/88/31/56/1007883156.db2.gz YMQGJKPZHMQWQD-UKRRQHHQSA-N 1 3 303.422 0.629 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001440596461 1007909730 /nfs/dbraw/zinc/90/97/30/1007909730.db2.gz SKEIEVLCJRREGO-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCC2)CC1 ZINC001438444396 1007912819 /nfs/dbraw/zinc/91/28/19/1007912819.db2.gz DARMZIIFLVKLRI-SHTZXODSSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001441213067 1008273843 /nfs/dbraw/zinc/27/38/43/1008273843.db2.gz YWBBGSMISSPFPG-HUUCEWRRSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001441213067 1008273849 /nfs/dbraw/zinc/27/38/49/1008273849.db2.gz YWBBGSMISSPFPG-HUUCEWRRSA-N 1 3 324.469 0.337 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001441356649 1008331733 /nfs/dbraw/zinc/33/17/33/1008331733.db2.gz YXYQONJMLGAXOM-YDHLFZDLSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001441361216 1008332568 /nfs/dbraw/zinc/33/25/68/1008332568.db2.gz XKEPKBSASPCCKE-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001441366776 1008334128 /nfs/dbraw/zinc/33/41/28/1008334128.db2.gz SEMRVQYLNRGEFJ-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001441395725 1008344803 /nfs/dbraw/zinc/34/48/03/1008344803.db2.gz CHFWPAZXBDSBIW-ZQDZILKHSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1)C1CCC1 ZINC001441494527 1008375837 /nfs/dbraw/zinc/37/58/37/1008375837.db2.gz ZVTGAPOOOCLCQY-BETUJISGSA-N 1 3 324.469 0.622 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)CC(C)(C)C ZINC001441506510 1008381714 /nfs/dbraw/zinc/38/17/14/1008381714.db2.gz HYEKFOHQKVCMPH-HZSPNIEDSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001441508901 1008383136 /nfs/dbraw/zinc/38/31/36/1008383136.db2.gz HADDICSWLMWGTD-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@H]1CCCNC1=O ZINC001441613333 1008425762 /nfs/dbraw/zinc/42/57/62/1008425762.db2.gz GAPIPJSIUMEUDK-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001441801398 1008510189 /nfs/dbraw/zinc/51/01/89/1008510189.db2.gz SJCGLEZAAQGVFD-DLBZAZTESA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001441801398 1008510193 /nfs/dbraw/zinc/51/01/93/1008510193.db2.gz SJCGLEZAAQGVFD-DLBZAZTESA-N 1 3 319.449 0.822 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(C)C ZINC001421414203 1008550265 /nfs/dbraw/zinc/55/02/65/1008550265.db2.gz BEVGGPRZZQYIRP-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(C)C ZINC001421414203 1008550278 /nfs/dbraw/zinc/55/02/78/1008550278.db2.gz BEVGGPRZZQYIRP-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001441842813 1008557951 /nfs/dbraw/zinc/55/79/51/1008557951.db2.gz NQUISQFXHPVUAI-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001441842813 1008557959 /nfs/dbraw/zinc/55/79/59/1008557959.db2.gz NQUISQFXHPVUAI-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)CC ZINC001441861545 1008586334 /nfs/dbraw/zinc/58/63/34/1008586334.db2.gz LTBCBTAOPBKISQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)CC ZINC001441861545 1008586349 /nfs/dbraw/zinc/58/63/49/1008586349.db2.gz LTBCBTAOPBKISQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1n[nH]c(C2CC2)n1 ZINC001421483238 1008646323 /nfs/dbraw/zinc/64/63/23/1008646323.db2.gz AGDBDJGTQTXQAG-OLZOCXBDSA-N 1 3 320.441 0.618 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C2CC2)n1 ZINC001421483238 1008646325 /nfs/dbraw/zinc/64/63/25/1008646325.db2.gz AGDBDJGTQTXQAG-OLZOCXBDSA-N 1 3 320.441 0.618 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2nnc(C)[nH]2)C1 ZINC001421533405 1008696377 /nfs/dbraw/zinc/69/63/77/1008696377.db2.gz ZOPRERMXXUXBCF-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2nnc(C)[nH]2)C1 ZINC001421533405 1008696383 /nfs/dbraw/zinc/69/63/83/1008696383.db2.gz ZOPRERMXXUXBCF-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001441993875 1008773625 /nfs/dbraw/zinc/77/36/25/1008773625.db2.gz IPMQFJVVOANCPU-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001421636475 1008849627 /nfs/dbraw/zinc/84/96/27/1008849627.db2.gz SINZREUMCVIZMR-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001442071876 1008929087 /nfs/dbraw/zinc/92/90/87/1008929087.db2.gz XXKOBMNZLKPMBW-STQMWFEESA-N 1 3 314.474 0.724 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001433603377 1008990249 /nfs/dbraw/zinc/99/02/49/1008990249.db2.gz CRXBZPNNLZKZFV-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001442176917 1009058164 /nfs/dbraw/zinc/05/81/64/1009058164.db2.gz KBCRPQRMJMSUEG-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC001442255903 1009139389 /nfs/dbraw/zinc/13/93/89/1009139389.db2.gz CBVOXYVONIFPTF-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001442531271 1009446071 /nfs/dbraw/zinc/44/60/71/1009446071.db2.gz RURJJXVZEXGNMN-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001422262167 1009724772 /nfs/dbraw/zinc/72/47/72/1009724772.db2.gz CVTXJIBHOPARFG-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001422273727 1009750048 /nfs/dbraw/zinc/75/00/48/1009750048.db2.gz OQYQWVBPILXRGY-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001422290880 1009793128 /nfs/dbraw/zinc/79/31/28/1009793128.db2.gz XMHNARCLDDSMMJ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N(CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001455623373 1009863567 /nfs/dbraw/zinc/86/35/67/1009863567.db2.gz FQBFZGBEHABDIA-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422355378 1009937719 /nfs/dbraw/zinc/93/77/19/1009937719.db2.gz WQVIIGYIXYJMSB-STQMWFEESA-N 1 3 322.453 0.376 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001442958547 1009979903 /nfs/dbraw/zinc/97/99/03/1009979903.db2.gz ZYCTXXAYRXFLEM-LBPRGKRZSA-N 1 3 309.414 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001442958547 1009979919 /nfs/dbraw/zinc/97/99/19/1009979919.db2.gz ZYCTXXAYRXFLEM-LBPRGKRZSA-N 1 3 309.414 0.257 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001422436413 1010081509 /nfs/dbraw/zinc/08/15/09/1010081509.db2.gz FGWFIZHQTBNJDV-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001443073506 1010113476 /nfs/dbraw/zinc/11/34/76/1010113476.db2.gz FGTCNPHKGMTGLD-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001443073506 1010113483 /nfs/dbraw/zinc/11/34/83/1010113483.db2.gz FGTCNPHKGMTGLD-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001443244840 1010260300 /nfs/dbraw/zinc/26/03/00/1010260300.db2.gz ORFINTHATISQDW-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001443244840 1010260309 /nfs/dbraw/zinc/26/03/09/1010260309.db2.gz ORFINTHATISQDW-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001443258633 1010269941 /nfs/dbraw/zinc/26/99/41/1010269941.db2.gz ZKZIEJMCVZIYPR-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001443258633 1010269952 /nfs/dbraw/zinc/26/99/52/1010269952.db2.gz ZKZIEJMCVZIYPR-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443325857 1010334646 /nfs/dbraw/zinc/33/46/46/1010334646.db2.gz RHRKJWZLEXDDLJ-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443346711 1010355271 /nfs/dbraw/zinc/35/52/71/1010355271.db2.gz YMIUOQDRQDUHHL-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)N(C)C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001443369276 1010372736 /nfs/dbraw/zinc/37/27/36/1010372736.db2.gz IPJPGKHPVQZGFE-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO CN(CC(=O)N(C)C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001443369276 1010372750 /nfs/dbraw/zinc/37/27/50/1010372750.db2.gz IPJPGKHPVQZGFE-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001422737831 1010548530 /nfs/dbraw/zinc/54/85/30/1010548530.db2.gz WLTJZVPUAMTNEB-KBPBESRZSA-N 1 3 309.454 0.944 20 0 DCADHO COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001422743475 1010555688 /nfs/dbraw/zinc/55/56/88/1010555688.db2.gz LBDAPMDSCGCFEG-JSGCOSHPSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001422743475 1010555694 /nfs/dbraw/zinc/55/56/94/1010555694.db2.gz LBDAPMDSCGCFEG-JSGCOSHPSA-N 1 3 306.410 0.636 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001422935448 1010753761 /nfs/dbraw/zinc/75/37/61/1010753761.db2.gz YCLHHACEQXHMNU-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C(C)C)C1=O ZINC001443987813 1010790648 /nfs/dbraw/zinc/79/06/48/1010790648.db2.gz TWFQZGSVSSWUND-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001444000202 1010796678 /nfs/dbraw/zinc/79/66/78/1010796678.db2.gz FOPVMLCFRWZILE-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)NC1CC1 ZINC001423110172 1010895508 /nfs/dbraw/zinc/89/55/08/1010895508.db2.gz QTSFPYKZQIPVMQ-CHWSQXEVSA-N 1 3 324.469 0.432 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001444207615 1010906093 /nfs/dbraw/zinc/90/60/93/1010906093.db2.gz IYEORAWOFRSLDT-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001423153541 1010928013 /nfs/dbraw/zinc/92/80/13/1010928013.db2.gz FOOPJZMKFATAFZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001423153541 1010928018 /nfs/dbraw/zinc/92/80/18/1010928018.db2.gz FOOPJZMKFATAFZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001423171473 1010939344 /nfs/dbraw/zinc/93/93/44/1010939344.db2.gz MMVOVXQVUNPZCE-UONOGXRCSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001444312963 1010958195 /nfs/dbraw/zinc/95/81/95/1010958195.db2.gz YFRMIZNGPKRIQO-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001444647416 1011114499 /nfs/dbraw/zinc/11/44/99/1011114499.db2.gz HTSVMGRPTVQDMT-CYBMUJFWSA-N 1 3 320.437 0.326 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001423415660 1011134340 /nfs/dbraw/zinc/13/43/40/1011134340.db2.gz REHJLNFURXCBLL-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423478366 1011177859 /nfs/dbraw/zinc/17/78/59/1011177859.db2.gz PVVGHHAUYCWIPW-CYBMUJFWSA-N 1 3 320.441 0.238 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001423561286 1011264466 /nfs/dbraw/zinc/26/44/66/1011264466.db2.gz KYNAQCLQCYSPTA-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001423561286 1011264481 /nfs/dbraw/zinc/26/44/81/1011264481.db2.gz KYNAQCLQCYSPTA-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO Cc1noc(CCCN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001423594070 1011324838 /nfs/dbraw/zinc/32/48/38/1011324838.db2.gz XEHLSQUGTSILCZ-INIZCTEOSA-N 1 3 323.441 0.843 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001456562836 1011341109 /nfs/dbraw/zinc/34/11/09/1011341109.db2.gz YZBDSIVJQXZLJV-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001456562836 1011341120 /nfs/dbraw/zinc/34/11/20/1011341120.db2.gz YZBDSIVJQXZLJV-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001423611189 1011342663 /nfs/dbraw/zinc/34/26/63/1011342663.db2.gz WUTHCZHLKUIVEG-QWHCGFSZSA-N 1 3 312.458 0.465 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)C(=O)NC)C1 ZINC001423641773 1011379799 /nfs/dbraw/zinc/37/97/99/1011379799.db2.gz GCSWNKCAXFHDJO-CZUORRHYSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)N1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001506486738 1017314396 /nfs/dbraw/zinc/31/43/96/1017314396.db2.gz SMDYVNPDRKRXTK-QGZVFWFLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001533511267 1011430900 /nfs/dbraw/zinc/43/09/00/1011430900.db2.gz VJNCBUOQJRYFLF-GEXIGZQTSA-N 1 3 310.442 0.067 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001533511267 1011430905 /nfs/dbraw/zinc/43/09/05/1011430905.db2.gz VJNCBUOQJRYFLF-GEXIGZQTSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC001533524534 1011431754 /nfs/dbraw/zinc/43/17/54/1011431754.db2.gz RCYVXVYUBDICHZ-FYFCFCJWSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC001533524534 1011431761 /nfs/dbraw/zinc/43/17/61/1011431761.db2.gz RCYVXVYUBDICHZ-FYFCFCJWSA-N 1 3 322.453 0.209 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001533549250 1011443749 /nfs/dbraw/zinc/44/37/49/1011443749.db2.gz JKHAIMKVUWZCRZ-VBROQKIQSA-N 1 3 322.453 0.211 20 0 DCADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CC3CCC3)C2)CCC1 ZINC001423760871 1011502186 /nfs/dbraw/zinc/50/21/86/1011502186.db2.gz PLJVRXGROJDKJE-INIZCTEOSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CC3CCC3)C2)CCC1 ZINC001423760871 1011502195 /nfs/dbraw/zinc/50/21/95/1011502195.db2.gz PLJVRXGROJDKJE-INIZCTEOSA-N 1 3 309.454 0.824 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001431690861 1011549424 /nfs/dbraw/zinc/54/94/24/1011549424.db2.gz CZCVRDYBANRVQS-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2cncc(F)c2)C1 ZINC001445273896 1011607080 /nfs/dbraw/zinc/60/70/80/1011607080.db2.gz JMCXTEYMZNVJBD-SWLSCSKDSA-N 1 3 324.400 0.129 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2cncc(F)c2)C1 ZINC001445273896 1011607084 /nfs/dbraw/zinc/60/70/84/1011607084.db2.gz JMCXTEYMZNVJBD-SWLSCSKDSA-N 1 3 324.400 0.129 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445361335 1011694844 /nfs/dbraw/zinc/69/48/44/1011694844.db2.gz ASMJKTBPEYXBJE-IUODEOHRSA-N 1 3 322.453 0.043 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001445363336 1011696957 /nfs/dbraw/zinc/69/69/57/1011696957.db2.gz NNBBKIAUIPXKLY-LALPHHSUSA-N 1 3 305.426 0.720 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001445363336 1011696963 /nfs/dbraw/zinc/69/69/63/1011696963.db2.gz NNBBKIAUIPXKLY-LALPHHSUSA-N 1 3 305.426 0.720 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001445397842 1011725807 /nfs/dbraw/zinc/72/58/07/1011725807.db2.gz DJQZZDAPGHUIKX-CHWSQXEVSA-N 1 3 322.453 0.376 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001535035779 1011778294 /nfs/dbraw/zinc/77/82/94/1011778294.db2.gz LLVMNOOLKFAEHJ-CYBMUJFWSA-N 1 3 307.398 0.011 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001535035779 1011778302 /nfs/dbraw/zinc/77/83/02/1011778302.db2.gz LLVMNOOLKFAEHJ-CYBMUJFWSA-N 1 3 307.398 0.011 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC001432036286 1011894978 /nfs/dbraw/zinc/89/49/78/1011894978.db2.gz CHBBZEMLYGWPNU-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)c2cnc([C@@H]3CCCN3)nc2)C1 ZINC001553343532 1011906271 /nfs/dbraw/zinc/90/62/71/1011906271.db2.gz LBOCTBYIFFPONX-OCCSQVGLSA-N 1 3 303.410 0.973 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H]1CCNC(=O)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001445556398 1011924473 /nfs/dbraw/zinc/92/44/73/1011924473.db2.gz CEZWQYTVDFXXML-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001445557671 1011926971 /nfs/dbraw/zinc/92/69/71/1011926971.db2.gz LEPPMVWUIPZBND-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001445611255 1011999102 /nfs/dbraw/zinc/99/91/02/1011999102.db2.gz NSRHDMKMUXZBFI-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)CC1(C)C ZINC001553483532 1012016930 /nfs/dbraw/zinc/01/69/30/1012016930.db2.gz XKHWHKVJKLKGAY-BBRMVZONSA-N 1 3 309.458 0.145 20 0 DCADHO [NH3+]CC1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553517678 1012061889 /nfs/dbraw/zinc/06/18/89/1012061889.db2.gz JZLCEWWHNSNCIK-FJBKBRRZSA-N 1 3 324.469 0.745 20 0 DCADHO C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CC[NH2+]CC1 ZINC001553517262 1012062552 /nfs/dbraw/zinc/06/25/52/1012062552.db2.gz JUJPPHXTRMZQSD-NUEKZKHPSA-N 1 3 324.469 0.615 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001432329993 1012332562 /nfs/dbraw/zinc/33/25/62/1012332562.db2.gz PTTWLYCVRPCDHZ-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001424480982 1012560109 /nfs/dbraw/zinc/56/01/09/1012560109.db2.gz KPXLYEFVSKGQFC-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1ccccc1CN1CCCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001548548796 1012697033 /nfs/dbraw/zinc/69/70/33/1012697033.db2.gz RICUBYKPWQIFEX-INIZCTEOSA-N 1 3 305.422 0.739 20 0 DCADHO CCN(C)[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC001475809291 1017160254 /nfs/dbraw/zinc/16/02/54/1017160254.db2.gz STQWUWNMIAXOIK-CQSZACIVSA-N 1 3 303.472 0.828 20 0 DCADHO CCCC[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001506539364 1017350725 /nfs/dbraw/zinc/35/07/25/1017350725.db2.gz SSUILPOGRQAOAG-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CN(CCCCCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001479626740 1017608504 /nfs/dbraw/zinc/60/85/04/1017608504.db2.gz KMWJATCGCAHZHW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001479696247 1017655094 /nfs/dbraw/zinc/65/50/94/1017655094.db2.gz VMJMNRVKEJXVDN-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@H](C)C1 ZINC001497054071 1017791242 /nfs/dbraw/zinc/79/12/42/1017791242.db2.gz NKGJTPIDMCDVED-BBRMVZONSA-N 1 3 320.437 0.299 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479829213 1017843278 /nfs/dbraw/zinc/84/32/78/1017843278.db2.gz KXISQFLDZLPMBW-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H](C)C(N)=O ZINC001479844070 1017874621 /nfs/dbraw/zinc/87/46/21/1017874621.db2.gz XKVURIKQDKNHDD-OCCSQVGLSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499614019 1017998168 /nfs/dbraw/zinc/99/81/68/1017998168.db2.gz JPJWUGATIMJVCD-WMLDXEAASA-N 1 3 324.469 0.517 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCOCC(F)F ZINC001499929784 1018141977 /nfs/dbraw/zinc/14/19/77/1018141977.db2.gz LWZNZNXHOFOHLX-LBPRGKRZSA-N 1 3 316.352 0.815 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1)C(N)=O ZINC001500106400 1018225891 /nfs/dbraw/zinc/22/58/91/1018225891.db2.gz DSEIKBZXWJYGBP-DOMZBBRYSA-N 1 3 324.469 0.467 20 0 DCADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)nn1 ZINC001480154813 1018262587 /nfs/dbraw/zinc/26/25/87/1018262587.db2.gz YWMRYUVPADDGDJ-HDJSIYSDSA-N 1 3 321.425 0.564 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cccn1 ZINC001495059789 1018275714 /nfs/dbraw/zinc/27/57/14/1018275714.db2.gz WHZDQPBBWIYCBW-GJZGRUSLSA-N 1 3 307.442 0.709 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)n1 ZINC001497649131 1018305852 /nfs/dbraw/zinc/30/58/52/1018305852.db2.gz GQKGUUXTIVEPPW-MBVDDHJVSA-N 1 3 320.441 0.251 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001497679439 1018329911 /nfs/dbraw/zinc/32/99/11/1018329911.db2.gz IFKWYNYNBWJBTB-NWRQEBOHSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001497679439 1018329921 /nfs/dbraw/zinc/32/99/21/1018329921.db2.gz IFKWYNYNBWJBTB-NWRQEBOHSA-N 1 3 322.453 0.211 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001480232493 1018343137 /nfs/dbraw/zinc/34/31/37/1018343137.db2.gz UUSNYTOSELLLMZ-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@]1(NC(=O)C[NH+]2CCCC2)CCN(CCOCC(F)F)C1 ZINC001500290532 1018386474 /nfs/dbraw/zinc/38/64/74/1018386474.db2.gz UBQOXVIFVDSRHA-HNNXBMFYSA-N 1 3 319.396 0.945 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001497900552 1018506354 /nfs/dbraw/zinc/50/63/54/1018506354.db2.gz SRFWZBUFTMOCAO-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001497910972 1018511691 /nfs/dbraw/zinc/51/16/91/1018511691.db2.gz QLWOWPOXUYWBLE-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497963552 1018546712 /nfs/dbraw/zinc/54/67/12/1018546712.db2.gz YMIFAMZGIIVHFX-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497963552 1018546720 /nfs/dbraw/zinc/54/67/20/1018546720.db2.gz YMIFAMZGIIVHFX-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001498048728 1018612026 /nfs/dbraw/zinc/61/20/26/1018612026.db2.gz PRBUEMNXEJTXQG-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001498048728 1018612031 /nfs/dbraw/zinc/61/20/31/1018612031.db2.gz PRBUEMNXEJTXQG-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccnn1C ZINC001480535851 1018635001 /nfs/dbraw/zinc/63/50/01/1018635001.db2.gz ABRBIJDQDAYHHX-ZIAGYGMSSA-N 1 3 307.442 0.399 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495678969 1018643323 /nfs/dbraw/zinc/64/33/23/1018643323.db2.gz GBZIUWNEKZIIOO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001495743912 1018678602 /nfs/dbraw/zinc/67/86/02/1018678602.db2.gz TYQOHPMPOLLMKM-CHWSQXEVSA-N 1 3 314.474 0.441 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001498321986 1018949017 /nfs/dbraw/zinc/94/90/17/1018949017.db2.gz WWDVLDBYEGBDOE-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103966 1019072188 /nfs/dbraw/zinc/07/21/88/1019072188.db2.gz PVWVNNXXAMRDAF-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO COc1cc(CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C)ccn1 ZINC001496148012 1019111521 /nfs/dbraw/zinc/11/15/21/1019111521.db2.gz AFQLVBKLWCRQLB-CYBMUJFWSA-N 1 3 308.426 0.978 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001498487691 1019163633 /nfs/dbraw/zinc/16/36/33/1019163633.db2.gz SBAKRTZFPXTLOA-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001496229956 1019179147 /nfs/dbraw/zinc/17/91/47/1019179147.db2.gz NYTGSSIBUHTMMX-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001496249797 1019193034 /nfs/dbraw/zinc/19/30/34/1019193034.db2.gz OYVQGCKLZXROQX-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCNC/C=C/Cl)CC[N@@H+]1C ZINC001501487439 1019234035 /nfs/dbraw/zinc/23/40/35/1019234035.db2.gz DZVTUWNDTUCNPL-RDJPRVRMSA-N 1 3 317.861 0.880 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(CCO)CCNC/C=C/Cl)CC[N@H+]1C ZINC001501487439 1019234042 /nfs/dbraw/zinc/23/40/42/1019234042.db2.gz DZVTUWNDTUCNPL-RDJPRVRMSA-N 1 3 317.861 0.880 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001498612820 1019267902 /nfs/dbraw/zinc/26/79/02/1019267902.db2.gz MJVHVNDFXBTKFA-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001496429246 1019304216 /nfs/dbraw/zinc/30/42/16/1019304216.db2.gz QXIZSHAEXWHZEI-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO Cc1nnc(CN[C@@H](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001496449295 1019319454 /nfs/dbraw/zinc/31/94/54/1019319454.db2.gz OIQPMCGSWIKKDX-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001498842124 1019463713 /nfs/dbraw/zinc/46/37/13/1019463713.db2.gz DKJPFSMONGOBIE-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001501864681 1019530065 /nfs/dbraw/zinc/53/00/65/1019530065.db2.gz KBFBZIHURRORBO-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001501864681 1019530123 /nfs/dbraw/zinc/53/01/23/1019530123.db2.gz KBFBZIHURRORBO-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001493570891 1019530550 /nfs/dbraw/zinc/53/05/50/1019530550.db2.gz RJGQVOGDCXZKJU-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001493570891 1019530559 /nfs/dbraw/zinc/53/05/59/1019530559.db2.gz RJGQVOGDCXZKJU-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCCOC)C1)N(C)C ZINC001502077520 1019690423 /nfs/dbraw/zinc/69/04/23/1019690423.db2.gz XHVFYCHXCWOBBZ-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494056477 1019952872 /nfs/dbraw/zinc/95/28/72/1019952872.db2.gz WVSVUZUOXUFPQY-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494056477 1019952877 /nfs/dbraw/zinc/95/28/77/1019952877.db2.gz WVSVUZUOXUFPQY-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC001625365064 1171471247 /nfs/dbraw/zinc/47/12/47/1171471247.db2.gz ITXRUXFIYBINET-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC001625365064 1171471254 /nfs/dbraw/zinc/47/12/54/1171471254.db2.gz ITXRUXFIYBINET-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000286538892 219043955 /nfs/dbraw/zinc/04/39/55/219043955.db2.gz QNLZVFDENJMZED-OLZOCXBDSA-N 1 3 310.442 0.209 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000331408818 529949190 /nfs/dbraw/zinc/94/91/90/529949190.db2.gz BSJANQRKQAHFKL-AJNGGQMLSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)N1CCCCCC1 ZINC000344399301 295735261 /nfs/dbraw/zinc/73/52/61/295735261.db2.gz JDCGGKIWJCKIMD-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332550090 235086081 /nfs/dbraw/zinc/08/60/81/235086081.db2.gz JBPFAYXBAYURPC-YMAMQOFZSA-N 1 3 322.453 0.282 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236840580 202034631 /nfs/dbraw/zinc/03/46/31/202034631.db2.gz OCDLFWPOBRCCSZ-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H]1C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)O1 ZINC000566055786 291265440 /nfs/dbraw/zinc/26/54/40/291265440.db2.gz QXHMFKNSKGGYSI-QLFBSQMISA-N 1 3 314.474 0.935 20 0 DCADHO CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000566800272 291324012 /nfs/dbraw/zinc/32/40/12/291324012.db2.gz WIKSWZFCGSLILW-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(NC1CNC1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000566846184 291325676 /nfs/dbraw/zinc/32/56/76/291325676.db2.gz ZVHHERBGTICEDY-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO [NH3+]C[C@H]1CCC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422689298 240176763 /nfs/dbraw/zinc/17/67/63/240176763.db2.gz FCCAAQZTZQTGOC-HUUCEWRRSA-N 1 3 304.442 0.316 20 0 DCADHO NC[C@H]1CCC[C@H]1[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000422689298 240176766 /nfs/dbraw/zinc/17/67/66/240176766.db2.gz FCCAAQZTZQTGOC-HUUCEWRRSA-N 1 3 304.442 0.316 20 0 DCADHO CN(C(=O)COC1C[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423711279 240241633 /nfs/dbraw/zinc/24/16/33/240241633.db2.gz MHVURBCAWOEQCE-OAHLLOKOSA-N 1 3 303.406 0.708 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000567498206 291358396 /nfs/dbraw/zinc/35/83/96/291358396.db2.gz JYZCTRMWFJYDTP-INIZCTEOSA-N 1 3 311.426 0.377 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000457784097 241037243 /nfs/dbraw/zinc/03/72/43/241037243.db2.gz GSQJXGXRYWADNA-GJZGRUSLSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000457784097 241037246 /nfs/dbraw/zinc/03/72/46/241037246.db2.gz GSQJXGXRYWADNA-GJZGRUSLSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCCN(CCCO)C1 ZINC000457837534 241040973 /nfs/dbraw/zinc/04/09/73/241040973.db2.gz OTXOFIIUSCBIKI-BZUAXINKSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCCN(CCCO)C1 ZINC000457837534 241040976 /nfs/dbraw/zinc/04/09/76/241040976.db2.gz OTXOFIIUSCBIKI-BZUAXINKSA-N 1 3 324.469 0.759 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567610386 291364286 /nfs/dbraw/zinc/36/42/86/291364286.db2.gz FXLVHKNUUKTKMS-UHFFFAOYSA-N 1 3 308.426 0.865 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000567695900 291370685 /nfs/dbraw/zinc/37/06/85/291370685.db2.gz IEQYXNFRXUSCGY-HJQPHTCJSA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000567695900 291370686 /nfs/dbraw/zinc/37/06/86/291370686.db2.gz IEQYXNFRXUSCGY-HJQPHTCJSA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H](C)O1 ZINC000567695900 291370688 /nfs/dbraw/zinc/37/06/88/291370688.db2.gz IEQYXNFRXUSCGY-HJQPHTCJSA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000568637636 291438998 /nfs/dbraw/zinc/43/89/98/291438998.db2.gz VUWQTMBAHQEYEZ-GFCCVEGCSA-N 1 3 303.410 0.912 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000288569960 220247046 /nfs/dbraw/zinc/24/70/46/220247046.db2.gz HLBCIQDYNMHQCS-KGLIPLIRSA-N 1 3 307.394 0.686 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000573628607 291645574 /nfs/dbraw/zinc/64/55/74/291645574.db2.gz ZMQVWKSXTBORKG-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000574451307 291695710 /nfs/dbraw/zinc/69/57/10/291695710.db2.gz FXDQKPWHUJASFI-QWRGUYRKSA-N 1 3 307.402 0.060 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)nn1 ZINC000574636015 291707246 /nfs/dbraw/zinc/70/72/46/291707246.db2.gz ZPVUJUOPPQBNOY-ZDUSSCGKSA-N 1 3 306.414 0.327 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000339575854 253107548 /nfs/dbraw/zinc/10/75/48/253107548.db2.gz CBDOPLIWSXYDMQ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000339583169 253108713 /nfs/dbraw/zinc/10/87/13/253108713.db2.gz VQPSFYYLOAYOFW-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000339583169 253108715 /nfs/dbraw/zinc/10/87/15/253108715.db2.gz VQPSFYYLOAYOFW-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000339632750 253117858 /nfs/dbraw/zinc/11/78/58/253117858.db2.gz VODPZVVATJFLPL-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636449 253119660 /nfs/dbraw/zinc/11/96/60/253119660.db2.gz MSEAFOWXEQBRBP-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)C1CC1 ZINC000339643277 253120215 /nfs/dbraw/zinc/12/02/15/253120215.db2.gz FWLIJZOECXUXDY-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000339666877 253122793 /nfs/dbraw/zinc/12/27/93/253122793.db2.gz AKIRIXBSYFDDTO-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000340123425 253204423 /nfs/dbraw/zinc/20/44/23/253204423.db2.gz QRSXRUARRNEGBO-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341202577 253356233 /nfs/dbraw/zinc/35/62/33/253356233.db2.gz NBZNYOGVJPPYMY-ZIAGYGMSSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341202577 253356236 /nfs/dbraw/zinc/35/62/36/253356236.db2.gz NBZNYOGVJPPYMY-ZIAGYGMSSA-N 1 3 300.447 0.689 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346286862 254032160 /nfs/dbraw/zinc/03/21/60/254032160.db2.gz ONSLBUVDBCIFLG-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000346529073 254063441 /nfs/dbraw/zinc/06/34/41/254063441.db2.gz MCFJTUFTHYFJQW-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CC(=O)Nc1ccccc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347029629 254123063 /nfs/dbraw/zinc/12/30/63/254123063.db2.gz XBFMNYFSZBVXPR-HNNXBMFYSA-N 1 3 318.421 0.932 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000347117621 254130793 /nfs/dbraw/zinc/13/07/93/254130793.db2.gz WULHQBPVEPWZAW-AWEZNQCLSA-N 1 3 319.405 0.745 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000348836869 254259851 /nfs/dbraw/zinc/25/98/51/254259851.db2.gz DZYZDMGSWLFMPS-UHFFFAOYSA-N 1 3 324.513 0.668 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000349909751 254303978 /nfs/dbraw/zinc/30/39/78/254303978.db2.gz ZFVNZVLBZNTLTM-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000349909751 254303979 /nfs/dbraw/zinc/30/39/79/254303979.db2.gz ZFVNZVLBZNTLTM-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351523150 254343197 /nfs/dbraw/zinc/34/31/97/254343197.db2.gz NJSRSKQGSOAQSO-OAHLLOKOSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCCC[C@H]1C ZINC000351534667 254344429 /nfs/dbraw/zinc/34/44/29/254344429.db2.gz DICIGVCHKPODFQ-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000351657608 254356811 /nfs/dbraw/zinc/35/68/11/254356811.db2.gz VDOFYVNZCUBLBV-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000351657608 254356812 /nfs/dbraw/zinc/35/68/12/254356812.db2.gz VDOFYVNZCUBLBV-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417087323 262245448 /nfs/dbraw/zinc/24/54/48/262245448.db2.gz FDQIBLUNWSOQTB-OAHLLOKOSA-N 1 3 300.447 0.644 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417753119 262260576 /nfs/dbraw/zinc/26/05/76/262260576.db2.gz NZMSODNFYHSZMR-KBPBESRZSA-N 1 3 300.447 0.581 20 0 DCADHO CN(C)CCNc1nc2ncccc2nc1NCC[NH+](C)C ZINC000090998094 395720063 /nfs/dbraw/zinc/72/00/63/395720063.db2.gz KDOCFCYNNHRKLE-UHFFFAOYSA-N 1 3 303.414 0.972 20 0 DCADHO COCCCN(C)CCNC(=O)c1csc(CC[NH3+])n1 ZINC000194838257 395809199 /nfs/dbraw/zinc/80/91/99/395809199.db2.gz XWSHGJOOECXSPW-UHFFFAOYSA-N 1 3 300.428 0.342 20 0 DCADHO C[C@H](CO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761798 395854296 /nfs/dbraw/zinc/85/42/96/395854296.db2.gz XBDCHJMCPWINRU-ZDUSSCGKSA-N 1 3 312.458 0.473 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000119753501 395875317 /nfs/dbraw/zinc/87/53/17/395875317.db2.gz VARNFXLNXQGZGW-KRWDZBQOSA-N 1 3 310.486 0.910 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000277540606 396073546 /nfs/dbraw/zinc/07/35/46/396073546.db2.gz LZQQZMVVGQUNKD-QSPRXWTASA-N 1 3 317.433 0.879 20 0 DCADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261803023 396067787 /nfs/dbraw/zinc/06/77/87/396067787.db2.gz UWPNHPVKFJIVLQ-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000249414041 396007993 /nfs/dbraw/zinc/00/79/93/396007993.db2.gz FYJAQEATFMZHQH-QWHCGFSZSA-N 1 3 314.430 0.169 20 0 DCADHO O=C(NC[C@H]1CCCN(CCOCC(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000262075736 396095893 /nfs/dbraw/zinc/09/58/93/396095893.db2.gz DFNNRVRYABGCMX-CHWSQXEVSA-N 1 3 319.396 0.848 20 0 DCADHO CC[NH+](CC)CCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072794669 396135464 /nfs/dbraw/zinc/13/54/64/396135464.db2.gz QISZWOWGWNPNRF-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@H]1C ZINC000263249003 396209451 /nfs/dbraw/zinc/20/94/51/396209451.db2.gz OCBXAKBODRQIHW-IPYPFGDCSA-N 1 3 312.458 0.417 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@H]1C ZINC000263249003 396209453 /nfs/dbraw/zinc/20/94/53/396209453.db2.gz OCBXAKBODRQIHW-IPYPFGDCSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H]1CN(CC2CC[NH+](CCOCCO)CC2)C[C@H](C)O1 ZINC000074353901 396164844 /nfs/dbraw/zinc/16/48/44/396164844.db2.gz CERPTIHFTSREPU-GASCZTMLSA-N 1 3 300.443 0.817 20 0 DCADHO C[N@H+](CCNC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000077596684 396227168 /nfs/dbraw/zinc/22/71/68/396227168.db2.gz FVJFMCSRKHICIN-UHFFFAOYSA-N 1 3 324.469 0.834 20 0 DCADHO C[N@@H+](CCNC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000077596684 396227170 /nfs/dbraw/zinc/22/71/70/396227170.db2.gz FVJFMCSRKHICIN-UHFFFAOYSA-N 1 3 324.469 0.834 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C[NH+]1CCCC1 ZINC000081266342 396295966 /nfs/dbraw/zinc/29/59/66/396295966.db2.gz WDLGCBWFQCXRQR-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000285779733 396353094 /nfs/dbraw/zinc/35/30/94/396353094.db2.gz MXOMJSUVHKZOBU-ZDUSSCGKSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)O1 ZINC000188733906 396384996 /nfs/dbraw/zinc/38/49/96/396384996.db2.gz KAXKFXVRDXSVEJ-XDQVBPFNSA-N 1 3 301.406 0.692 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000581139734 396529638 /nfs/dbraw/zinc/52/96/38/396529638.db2.gz GAUKSCWDFZPYAJ-OWCLPIDISA-N 1 3 310.442 0.705 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000581139734 396529641 /nfs/dbraw/zinc/52/96/41/396529641.db2.gz GAUKSCWDFZPYAJ-OWCLPIDISA-N 1 3 310.442 0.705 20 0 DCADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000581666563 396573640 /nfs/dbraw/zinc/57/36/40/396573640.db2.gz NDYNFDMJUUNCQB-LZWOXQAQSA-N 1 3 311.426 0.110 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000581725233 396579215 /nfs/dbraw/zinc/57/92/15/396579215.db2.gz CWJCWNLMTXEILW-MCIONIFRSA-N 1 3 306.414 0.288 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000582418456 396609194 /nfs/dbraw/zinc/60/91/94/396609194.db2.gz YQFUKMAQWQWNSR-CQSZACIVSA-N 1 3 311.426 0.505 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)N(C)C1 ZINC000561218628 396634272 /nfs/dbraw/zinc/63/42/72/396634272.db2.gz HVLNOXXSQDARRJ-XGUBFFRZSA-N 1 3 312.458 0.864 20 0 DCADHO N[C@H]1C[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000595902659 396679651 /nfs/dbraw/zinc/67/96/51/396679651.db2.gz DJAXDPJZFMKGRS-HOCLYGCPSA-N 1 3 300.406 0.076 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563209220 396713974 /nfs/dbraw/zinc/71/39/74/396713974.db2.gz RFDOWUNWCIGEET-HUUCEWRRSA-N 1 3 320.441 0.775 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563209220 396713978 /nfs/dbraw/zinc/71/39/78/396713978.db2.gz RFDOWUNWCIGEET-HUUCEWRRSA-N 1 3 320.441 0.775 20 0 DCADHO CC(C)[C@H](CNC[C@@H](O)C[NH+]1CCCC1)N1CCN(C)CC1 ZINC000629562568 396787458 /nfs/dbraw/zinc/78/74/58/396787458.db2.gz OJHPMDNWPORJME-SJORKVTESA-N 1 3 312.502 0.305 20 0 DCADHO CC(C)[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)N1CCN(C)CC1 ZINC000629562568 396787462 /nfs/dbraw/zinc/78/74/62/396787462.db2.gz OJHPMDNWPORJME-SJORKVTESA-N 1 3 312.502 0.305 20 0 DCADHO O=C(NCCCNC[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000629559541 396788333 /nfs/dbraw/zinc/78/83/33/396788333.db2.gz BHOJVMAYPQNBPS-INIZCTEOSA-N 1 3 323.412 0.992 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC000563952724 396797633 /nfs/dbraw/zinc/79/76/33/396797633.db2.gz QYDKMDWBRSEYAH-HUUCEWRRSA-N 1 3 300.443 0.864 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC000563952724 396797638 /nfs/dbraw/zinc/79/76/38/396797638.db2.gz QYDKMDWBRSEYAH-HUUCEWRRSA-N 1 3 300.443 0.864 20 0 DCADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000563952724 396797643 /nfs/dbraw/zinc/79/76/43/396797643.db2.gz QYDKMDWBRSEYAH-HUUCEWRRSA-N 1 3 300.443 0.864 20 0 DCADHO C[NH+](C)CCCOc1ccc(CNCCC(=O)NC(N)=O)cc1 ZINC000564843641 396880540 /nfs/dbraw/zinc/88/05/40/396880540.db2.gz BOMRHMDREQEUOS-UHFFFAOYSA-N 1 3 322.409 0.692 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)CN1CCN(C)CC1 ZINC000333456949 396926227 /nfs/dbraw/zinc/92/62/27/396926227.db2.gz YKZYIWRGFOQMSP-RBSFLKMASA-N 1 3 311.474 0.167 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333792676 396932443 /nfs/dbraw/zinc/93/24/43/396932443.db2.gz GKVFLMGAHRFARD-ZBFHGGJFSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000571449405 396953170 /nfs/dbraw/zinc/95/31/70/396953170.db2.gz RTHRZSXUUVFJFW-CQSZACIVSA-N 1 3 305.426 0.420 20 0 DCADHO CN(C)c1ncc(CNCCC[N@@H+]2CCCN(C)CC2)cn1 ZINC000591718883 396989911 /nfs/dbraw/zinc/98/99/11/396989911.db2.gz MBJSYQCFGGSIIG-UHFFFAOYSA-N 1 3 306.458 0.660 20 0 DCADHO CN(C)c1ncc(CNCCC[N@H+]2CCCN(C)CC2)cn1 ZINC000591718883 396989917 /nfs/dbraw/zinc/98/99/17/396989917.db2.gz MBJSYQCFGGSIIG-UHFFFAOYSA-N 1 3 306.458 0.660 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000612547822 397091720 /nfs/dbraw/zinc/09/17/20/397091720.db2.gz HGIIONXPJBPEIQ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO COCC[NH2+]CCc1cn(CCCN2CCSCC2)nn1 ZINC000630589010 397054777 /nfs/dbraw/zinc/05/47/77/397054777.db2.gz AWJBDFLMSJTPAY-UHFFFAOYSA-N 1 3 313.471 0.496 20 0 DCADHO COCCN(C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377769880 397137979 /nfs/dbraw/zinc/13/79/79/397137979.db2.gz OXDOHNQJKVNEGU-HNNXBMFYSA-N 1 3 303.422 0.893 20 0 DCADHO COCCN(C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377769880 397137985 /nfs/dbraw/zinc/13/79/85/397137985.db2.gz OXDOHNQJKVNEGU-HNNXBMFYSA-N 1 3 303.422 0.893 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612885886 397155790 /nfs/dbraw/zinc/15/57/90/397155790.db2.gz JRUZPXNJSLFACO-GDBMZVCRSA-N 1 3 311.474 0.311 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000573457543 397169897 /nfs/dbraw/zinc/16/98/97/397169897.db2.gz CKMBUZGYEMWKJM-AGUYFDCRSA-N 1 3 305.426 0.800 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000573457543 397169903 /nfs/dbraw/zinc/16/99/03/397169903.db2.gz CKMBUZGYEMWKJM-AGUYFDCRSA-N 1 3 305.426 0.800 20 0 DCADHO CC[NH2+]CCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000573668183 397192887 /nfs/dbraw/zinc/19/28/87/397192887.db2.gz WMTVUIJWYAJWAM-CQSZACIVSA-N 1 3 300.447 0.786 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620486129 397279870 /nfs/dbraw/zinc/27/98/70/397279870.db2.gz BFBYTYAGFJECKY-CVEARBPZSA-N 1 3 309.454 0.918 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620486129 397279874 /nfs/dbraw/zinc/27/98/74/397279874.db2.gz BFBYTYAGFJECKY-CVEARBPZSA-N 1 3 309.454 0.918 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000387327070 397294789 /nfs/dbraw/zinc/29/47/89/397294789.db2.gz UHQVQIIEOPCXNC-LBPRGKRZSA-N 1 3 311.426 0.457 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592957283 397303076 /nfs/dbraw/zinc/30/30/76/397303076.db2.gz MULULOBJNLHMKC-STQMWFEESA-N 1 3 305.426 0.791 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592960685 397304703 /nfs/dbraw/zinc/30/47/03/397304703.db2.gz CJAZXBLBIMWQNO-LALPHHSUSA-N 1 3 317.437 0.932 20 0 DCADHO CC(C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)S(C)(=O)=O ZINC000577512783 397338354 /nfs/dbraw/zinc/33/83/54/397338354.db2.gz WHCYGWJJYJGCFY-CMPLNLGQSA-N 1 3 302.440 0.656 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000577630626 397348444 /nfs/dbraw/zinc/34/84/44/397348444.db2.gz QTWVPFMMGTUUKJ-WBVHZDCISA-N 1 3 302.422 0.971 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCC[C@H](C)C1 ZINC000420085394 397386224 /nfs/dbraw/zinc/38/62/24/397386224.db2.gz BFVCMLSNEQEIED-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000578352399 397424881 /nfs/dbraw/zinc/42/48/81/397424881.db2.gz YPXXPPDEHKVPAT-OWCLPIDISA-N 1 3 305.422 0.652 20 0 DCADHO CNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593739116 397436423 /nfs/dbraw/zinc/43/64/23/397436423.db2.gz WVKZUIMWZFXHLU-CYDGBPFRSA-N 1 3 312.414 0.049 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000578440579 397436660 /nfs/dbraw/zinc/43/66/60/397436660.db2.gz AANUWBRMUQRSKM-VNHYZAJKSA-N 1 3 320.441 0.442 20 0 DCADHO CC1(C)CCCN(CCNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000578490207 397441871 /nfs/dbraw/zinc/44/18/71/397441871.db2.gz QDNNCLDDAAREAE-AWEZNQCLSA-N 1 3 312.458 0.786 20 0 DCADHO CCOC(=O)c1cc(CN[C@@H](C)CC[NH+]2CCN(C)CC2)on1 ZINC000602619680 397451203 /nfs/dbraw/zinc/45/12/03/397451203.db2.gz PDEJBBNPBBSNGQ-ZDUSSCGKSA-N 1 3 324.425 0.967 20 0 DCADHO O=C(NCCCN1CCC(O)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000367654277 397406496 /nfs/dbraw/zinc/40/64/96/397406496.db2.gz UVHOFYGIGANKCJ-WMLDXEAASA-N 1 3 309.454 0.729 20 0 DCADHO OCCN1CCN(CCCC[NH2+]C[C@@H]2CCSC2)CC1 ZINC000487294063 397467929 /nfs/dbraw/zinc/46/79/29/397467929.db2.gz AIWXOHUFUIJXCN-HNNXBMFYSA-N 1 3 301.500 0.719 20 0 DCADHO CN1CCC(C[NH2+]CC2(O)CCCC2)(N2CCOCC2)CC1 ZINC000578858943 397493345 /nfs/dbraw/zinc/49/33/45/397493345.db2.gz CJBKTMAOHYZWKV-UHFFFAOYSA-N 1 3 311.470 0.678 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CCCCN1C ZINC000606371689 397679387 /nfs/dbraw/zinc/67/93/87/397679387.db2.gz PYRKGLNWTJXVAM-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CCCCN1C ZINC000606371689 397679388 /nfs/dbraw/zinc/67/93/88/397679388.db2.gz PYRKGLNWTJXVAM-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606667940 397685759 /nfs/dbraw/zinc/68/57/59/397685759.db2.gz YPTDDQCSEWBNQZ-ZDUSSCGKSA-N 1 3 300.447 0.594 20 0 DCADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126141035 158261967 /nfs/dbraw/zinc/26/19/67/158261967.db2.gz UVNJAZVGXIXSGO-OCCSQVGLSA-N 1 3 300.447 0.178 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000129740469 158291224 /nfs/dbraw/zinc/29/12/24/158291224.db2.gz LMOPZRQZIGJQIE-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC000136843797 158343622 /nfs/dbraw/zinc/34/36/22/158343622.db2.gz UIMFGVQHEANQMC-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000134592022 287017511 /nfs/dbraw/zinc/01/75/11/287017511.db2.gz QTZLFTXAQRBUEZ-PBHICJAKSA-N 1 3 324.469 0.578 20 0 DCADHO CCOC[C@@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000341027099 287151110 /nfs/dbraw/zinc/15/11/10/287151110.db2.gz TZZCBZUYTYTKML-KRWDZBQOSA-N 1 3 313.486 0.874 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418398990 287248175 /nfs/dbraw/zinc/24/81/75/287248175.db2.gz WVSVNOVCNCWVGT-ZIAGYGMSSA-N 1 3 312.458 0.737 20 0 DCADHO COCCNCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418510855 287248861 /nfs/dbraw/zinc/24/88/61/287248861.db2.gz QRBHYNGBFRWRSA-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO COCCNCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418510855 287248863 /nfs/dbraw/zinc/24/88/63/287248863.db2.gz QRBHYNGBFRWRSA-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418953024 287256877 /nfs/dbraw/zinc/25/68/77/287256877.db2.gz VZNLKDJGRUIXRH-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418957516 287258215 /nfs/dbraw/zinc/25/82/15/287258215.db2.gz ZZSYFRKQCKVZGK-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419021294 287261422 /nfs/dbraw/zinc/26/14/22/287261422.db2.gz GSLZKBKHMHNEKA-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419021329 287261720 /nfs/dbraw/zinc/26/17/20/287261720.db2.gz GVIXOLZXTMEOTC-ILXRZTDVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419024470 287263122 /nfs/dbraw/zinc/26/31/22/287263122.db2.gz KWPXUKMUUWSDHT-LXTVHRRPSA-N 1 3 324.469 0.276 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419145994 287267347 /nfs/dbraw/zinc/26/73/47/287267347.db2.gz HCVJHMGFXRZFFW-QLFBSQMISA-N 1 3 324.469 0.467 20 0 DCADHO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419227556 287276064 /nfs/dbraw/zinc/27/60/64/287276064.db2.gz KVQSNSRGKBKDRK-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419227062 287275506 /nfs/dbraw/zinc/27/55/06/287275506.db2.gz JTBFMJVJLAPPFO-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO CCS(=O)(=O)NCCC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000331688752 415187036 /nfs/dbraw/zinc/18/70/36/415187036.db2.gz SSUWSPXRBLIXSE-AWEZNQCLSA-N 1 3 303.472 0.734 20 0 DCADHO CCS(=O)(=O)NCCC[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000331688752 415187039 /nfs/dbraw/zinc/18/70/39/415187039.db2.gz SSUWSPXRBLIXSE-AWEZNQCLSA-N 1 3 303.472 0.734 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000342711751 415265151 /nfs/dbraw/zinc/26/51/51/415265151.db2.gz QYCGAWSUFXSPPI-CQSZACIVSA-N 1 3 311.426 0.790 20 0 DCADHO NC(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422890210 287301882 /nfs/dbraw/zinc/30/18/82/287301882.db2.gz ROCPAMQMYXTCJH-FPCVCCKLSA-N 1 3 308.470 0.837 20 0 DCADHO Cc1nccn1CCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000342858548 415319872 /nfs/dbraw/zinc/31/98/72/415319872.db2.gz ALXJBBQJEDKLQI-UHFFFAOYSA-N 1 3 321.469 0.971 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000352833748 415342873 /nfs/dbraw/zinc/34/28/73/415342873.db2.gz ZFZNGFMCSCQRCG-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000332332845 415349902 /nfs/dbraw/zinc/34/99/02/415349902.db2.gz RDYBUNKMMMZVDY-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332678625 415434623 /nfs/dbraw/zinc/43/46/23/415434623.db2.gz TYRRAAINDXWSLR-IHRRRGAJSA-N 1 3 308.426 0.021 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343152541 415473578 /nfs/dbraw/zinc/47/35/78/415473578.db2.gz OUQWRSQOIRLTTK-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343152541 415473585 /nfs/dbraw/zinc/47/35/85/415473585.db2.gz OUQWRSQOIRLTTK-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](CN)OC)cc1 ZINC000353449174 415547696 /nfs/dbraw/zinc/54/76/96/415547696.db2.gz NPADCZKAFWVSBE-KKUMJFAQSA-N 1 3 307.394 0.231 20 0 DCADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343309569 415550971 /nfs/dbraw/zinc/55/09/71/415550971.db2.gz MGQVUBOKMMISQL-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc2c(c1)OCO2 ZINC000103213067 415612898 /nfs/dbraw/zinc/61/28/98/415612898.db2.gz YSGCYALNSIMLQA-UHFFFAOYSA-N 1 3 321.421 0.910 20 0 DCADHO CSCC[C@H](N)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353652335 415615586 /nfs/dbraw/zinc/61/55/86/415615586.db2.gz YAFXPFVUCKHYLW-ZDUSSCGKSA-N 1 3 315.483 0.828 20 0 DCADHO CC(C)C[C@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353669974 415619714 /nfs/dbraw/zinc/61/97/14/415619714.db2.gz XQYVMUIMTAVODC-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1OCO2 ZINC000104533568 415626827 /nfs/dbraw/zinc/62/68/27/415626827.db2.gz FYCIPROAMQZXBN-UHFFFAOYSA-N 1 3 307.394 0.981 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC2CCC(C[NH3+])CC2)CC1=O ZINC000343601086 415652851 /nfs/dbraw/zinc/65/28/51/415652851.db2.gz PTFLQSOLIMEQPB-NRXISQOPSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1C ZINC000333560725 415685543 /nfs/dbraw/zinc/68/55/43/415685543.db2.gz KWULIRLBCKFDPG-CYUUQNCZSA-N 1 3 320.441 0.339 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333708896 415722809 /nfs/dbraw/zinc/72/28/09/415722809.db2.gz RXVOYXYKVCRMBW-UONOGXRCSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333763743 415734644 /nfs/dbraw/zinc/73/46/44/415734644.db2.gz AVRMATUXQHTJGX-UONOGXRCSA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C(=O)c1cccn1C ZINC000354087023 415750936 /nfs/dbraw/zinc/75/09/36/415750936.db2.gz WGHPIKLOEBUSSQ-UHFFFAOYSA-N 1 3 322.453 0.940 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000343976444 415807711 /nfs/dbraw/zinc/80/77/11/415807711.db2.gz JQVNPGKNZRLMPU-SJORKVTESA-N 1 3 320.481 0.757 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000343976444 415807717 /nfs/dbraw/zinc/80/77/17/415807717.db2.gz JQVNPGKNZRLMPU-SJORKVTESA-N 1 3 320.481 0.757 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000122105324 415827898 /nfs/dbraw/zinc/82/78/98/415827898.db2.gz HGCLBZITPFDQOT-KRWDZBQOSA-N 1 3 322.453 0.860 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000126203569 415875101 /nfs/dbraw/zinc/87/51/01/415875101.db2.gz APVRCMKENNLYFD-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000126203569 415875107 /nfs/dbraw/zinc/87/51/07/415875107.db2.gz APVRCMKENNLYFD-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(F)c1 ZINC000130552126 415920952 /nfs/dbraw/zinc/92/09/52/415920952.db2.gz VGWMAZPBSNSALO-UHFFFAOYSA-N 1 3 324.400 0.716 20 0 DCADHO CO[C@H](CN)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000296377288 415923628 /nfs/dbraw/zinc/92/36/28/415923628.db2.gz KFFBPZLBBNDZQN-SMDDNHRTSA-N 1 3 321.377 0.508 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000344176895 415860285 /nfs/dbraw/zinc/86/02/85/415860285.db2.gz JDBQUUNZYHBWND-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000344176895 415860288 /nfs/dbraw/zinc/86/02/88/415860288.db2.gz JDBQUUNZYHBWND-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO COCCn1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC000344633996 415962979 /nfs/dbraw/zinc/96/29/79/415962979.db2.gz XOUNIVLQSYXBLZ-UHFFFAOYSA-N 1 3 310.442 0.854 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000175737555 416112392 /nfs/dbraw/zinc/11/23/92/416112392.db2.gz BMLCXZBCBGCYQC-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CNC(=O)[C@H](C)CN(C)CC(C)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000176351125 416123711 /nfs/dbraw/zinc/12/37/11/416123711.db2.gz QIDMEEDFNDTCEK-AGUYFDCRSA-N 1 3 314.474 0.250 20 0 DCADHO CNC(=O)[C@H](C)CN(C)CC(C)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000176351125 416123713 /nfs/dbraw/zinc/12/37/13/416123713.db2.gz QIDMEEDFNDTCEK-AGUYFDCRSA-N 1 3 314.474 0.250 20 0 DCADHO CNC(=O)[C@H](C)C[N@@H+](C)CC(C)CN(C)C[C@H](C)C(=O)NC ZINC000176351125 416123715 /nfs/dbraw/zinc/12/37/15/416123715.db2.gz QIDMEEDFNDTCEK-AGUYFDCRSA-N 1 3 314.474 0.250 20 0 DCADHO CNC(=O)[C@H](C)C[N@H+](C)CC(C)CN(C)C[C@H](C)C(=O)NC ZINC000176351125 416123716 /nfs/dbraw/zinc/12/37/16/416123716.db2.gz QIDMEEDFNDTCEK-AGUYFDCRSA-N 1 3 314.474 0.250 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])CN1CCN(C)CC1 ZINC000345687990 416133756 /nfs/dbraw/zinc/13/37/56/416133756.db2.gz HYMBCFTXEWDYTR-VYDXJSESSA-N 1 3 310.486 0.894 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000345729451 416139955 /nfs/dbraw/zinc/13/99/55/416139955.db2.gz WYEDPNQYRWZOFV-GHMZBOCLSA-N 1 3 320.384 0.028 20 0 DCADHO CS(=O)(=O)N1CCC(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339069774 416151550 /nfs/dbraw/zinc/15/15/50/416151550.db2.gz VRWCYVTUDOUVET-HUUCEWRRSA-N 1 3 315.483 0.874 20 0 DCADHO CS(=O)(=O)N1CCC(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339069774 416151553 /nfs/dbraw/zinc/15/15/53/416151553.db2.gz VRWCYVTUDOUVET-HUUCEWRRSA-N 1 3 315.483 0.874 20 0 DCADHO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000339069774 416151556 /nfs/dbraw/zinc/15/15/56/416151556.db2.gz VRWCYVTUDOUVET-HUUCEWRRSA-N 1 3 315.483 0.874 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000346265383 416192793 /nfs/dbraw/zinc/19/27/93/416192793.db2.gz ANBOPYFFNYEGAQ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCC2(CO)COC2)[C@@H](C)C1 ZINC000358350343 416226819 /nfs/dbraw/zinc/22/68/19/416226819.db2.gz JBYWMJCXOLURMQ-GJZGRUSLSA-N 1 3 300.443 0.722 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCC2(CO)COC2)[C@@H](C)C1 ZINC000358350343 416226822 /nfs/dbraw/zinc/22/68/22/416226822.db2.gz JBYWMJCXOLURMQ-GJZGRUSLSA-N 1 3 300.443 0.722 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000339633196 416161671 /nfs/dbraw/zinc/16/16/71/416161671.db2.gz NERCUIPMTGJJGB-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000349048565 416251863 /nfs/dbraw/zinc/25/18/63/416251863.db2.gz HXJRXJUFMROHCM-KBPBESRZSA-N 1 3 313.442 0.371 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[N@H+](C)CCCOC)C1(C)C ZINC000188232245 416263309 /nfs/dbraw/zinc/26/33/09/416263309.db2.gz BEWHVTJDEFDAFA-CJNGLKHVSA-N 1 3 315.458 0.603 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[N@@H+](C)CCCOC)C1(C)C ZINC000188232245 416263312 /nfs/dbraw/zinc/26/33/12/416263312.db2.gz BEWHVTJDEFDAFA-CJNGLKHVSA-N 1 3 315.458 0.603 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C1CC1 ZINC000359319790 416321494 /nfs/dbraw/zinc/32/14/94/416321494.db2.gz IVHLVLKNYWCURA-SWLSCSKDSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C1CC1 ZINC000359319790 416321496 /nfs/dbraw/zinc/32/14/96/416321496.db2.gz IVHLVLKNYWCURA-SWLSCSKDSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000351767166 416283193 /nfs/dbraw/zinc/28/31/93/416283193.db2.gz FIYUZKWLMNKAJR-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)ccc1CN(C)C ZINC000415540320 416346711 /nfs/dbraw/zinc/34/67/11/416346711.db2.gz OCFMUKVOAVPDPD-HNNXBMFYSA-N 1 3 318.421 0.849 20 0 DCADHO Cc1ccc(NC(=O)C(=O)N(C)CC[NH3+])c(OCCN(C)C)c1 ZINC000415876741 416357213 /nfs/dbraw/zinc/35/72/13/416357213.db2.gz GKSQCLRPJUJJJU-UHFFFAOYSA-N 1 3 322.409 0.291 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000416897947 416378725 /nfs/dbraw/zinc/37/87/25/416378725.db2.gz YJXDVDCEQKSRDT-MRXNPFEDSA-N 1 3 319.453 0.451 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)NCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000418307569 416386045 /nfs/dbraw/zinc/38/60/45/416386045.db2.gz DMKQHENHJSXWOY-ZIAGYGMSSA-N 1 3 312.458 0.866 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000418382465 416386474 /nfs/dbraw/zinc/38/64/74/416386474.db2.gz HXESVVKVZWDHSN-CQSZACIVSA-N 1 3 313.490 0.685 20 0 DCADHO COC[C@]1(CNC(=O)N(C)CC2(N(C)C)CCC2)CCC[NH2+]1 ZINC000418657004 416388473 /nfs/dbraw/zinc/38/84/73/416388473.db2.gz QOABMIPAVXOKMY-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000418663460 416388643 /nfs/dbraw/zinc/38/86/43/416388643.db2.gz XDKHMDXGUYAOPJ-OWCLPIDISA-N 1 3 324.469 0.521 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[NH2+]1 ZINC000419754564 416408891 /nfs/dbraw/zinc/40/88/91/416408891.db2.gz ANNHIYMQUNQQFR-MGPQQGTHSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419770306 416410270 /nfs/dbraw/zinc/41/02/70/416410270.db2.gz WROHYFKRBHZDGB-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419778399 416410787 /nfs/dbraw/zinc/41/07/87/416410787.db2.gz OSTOXNHFVYWEIE-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000360800985 416410953 /nfs/dbraw/zinc/41/09/53/416410953.db2.gz PAGBWVNCGYUTSP-ZFWWWQNUSA-N 1 3 300.447 0.473 20 0 DCADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000360800985 416410954 /nfs/dbraw/zinc/41/09/54/416410954.db2.gz PAGBWVNCGYUTSP-ZFWWWQNUSA-N 1 3 300.447 0.473 20 0 DCADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1CCN(C2CC2)C1 ZINC000458396340 416462857 /nfs/dbraw/zinc/46/28/57/416462857.db2.gz DPVBWVGUFZGPNF-DZGCQCFKSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)N[C@H]1CCN(C2CC2)C1 ZINC000458396340 416462859 /nfs/dbraw/zinc/46/28/59/416462859.db2.gz DPVBWVGUFZGPNF-DZGCQCFKSA-N 1 3 310.442 0.369 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423065958 416465955 /nfs/dbraw/zinc/46/59/55/416465955.db2.gz VSGURZBNBQHZKW-UONOGXRCSA-N 1 3 312.458 0.228 20 0 DCADHO CN1CCN(CC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1(C)C ZINC000423100949 416466019 /nfs/dbraw/zinc/46/60/19/416466019.db2.gz NDBCIVRNRSXYCE-HOTGVXAUSA-N 1 3 310.486 0.369 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000423067185 416466362 /nfs/dbraw/zinc/46/63/62/416466362.db2.gz YUOIJHXRRFWWRM-AWEZNQCLSA-N 1 3 312.458 0.101 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN2CCCO)CC[N@@H+]1C ZINC000458446866 416470694 /nfs/dbraw/zinc/47/06/94/416470694.db2.gz RANSKNGAARGKMF-ILXRZTDVSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN2CCCO)CC[N@H+]1C ZINC000458446866 416470695 /nfs/dbraw/zinc/47/06/95/416470695.db2.gz RANSKNGAARGKMF-ILXRZTDVSA-N 1 3 312.458 0.615 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000423208772 416477568 /nfs/dbraw/zinc/47/75/68/416477568.db2.gz DUIWTNYZOHMLSI-CYBMUJFWSA-N 1 3 308.426 0.023 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000583683927 416481609 /nfs/dbraw/zinc/48/16/09/416481609.db2.gz QFXSBWGFZIYYSB-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458553147 416481834 /nfs/dbraw/zinc/48/18/34/416481834.db2.gz KSEOKLASVQHSIF-VNQPRFMTSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458553147 416481836 /nfs/dbraw/zinc/48/18/36/416481836.db2.gz KSEOKLASVQHSIF-VNQPRFMTSA-N 1 3 324.469 0.615 20 0 DCADHO CC1=CCN(CCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458651640 416486835 /nfs/dbraw/zinc/48/68/35/416486835.db2.gz JAUZLLMDDCZKEC-MRXNPFEDSA-N 1 3 324.469 0.784 20 0 DCADHO CC1=CCN(CCNC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458651640 416486840 /nfs/dbraw/zinc/48/68/40/416486840.db2.gz JAUZLLMDDCZKEC-MRXNPFEDSA-N 1 3 324.469 0.784 20 0 DCADHO O=C(CNC1CC[NH+](Cc2ccccc2)CC1)N1CCNCC1 ZINC000583988421 416491567 /nfs/dbraw/zinc/49/15/67/416491567.db2.gz FPFSDMBLTWQGBK-UHFFFAOYSA-N 1 3 316.449 0.672 20 0 DCADHO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCNCC1 ZINC000583988421 416491574 /nfs/dbraw/zinc/49/15/74/416491574.db2.gz FPFSDMBLTWQGBK-UHFFFAOYSA-N 1 3 316.449 0.672 20 0 DCADHO CC(C)(CNC(=O)[C@H]1CN2CCN1CCC2)C[NH+]1CCCC1 ZINC000361384513 416433669 /nfs/dbraw/zinc/43/36/69/416433669.db2.gz KWKFUHCGOZQHGQ-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H]([NH3+])CCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000434676992 416490082 /nfs/dbraw/zinc/49/00/82/416490082.db2.gz VDVPZQDWMFZZBP-OAHLLOKOSA-N 1 3 319.453 0.837 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)CC1 ZINC000422638482 416443952 /nfs/dbraw/zinc/44/39/52/416443952.db2.gz QJABQGCASJJGOO-ZNMIVQPWSA-N 1 3 310.486 0.892 20 0 DCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423602915 416524734 /nfs/dbraw/zinc/52/47/34/416524734.db2.gz DEMYKQNVGBTGSL-ZDUSSCGKSA-N 1 3 324.450 0.198 20 0 DCADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423630888 416531471 /nfs/dbraw/zinc/53/14/71/416531471.db2.gz FMFONBNPZWFZPI-HOTGVXAUSA-N 1 3 308.470 0.790 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)[C@H]1C[NH3+] ZINC000423725644 416549741 /nfs/dbraw/zinc/54/97/41/416549741.db2.gz HXUZXPNDCORDJH-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)[C@H](C)CN)C(C)C ZINC000423727501 416551737 /nfs/dbraw/zinc/55/17/37/416551737.db2.gz VDHKYUTTZPVRGI-CYBMUJFWSA-N 1 3 300.447 0.369 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000584166949 416502821 /nfs/dbraw/zinc/50/28/21/416502821.db2.gz VYAXMCXDDDQXQK-ZQDZILKHSA-N 1 3 322.453 0.123 20 0 DCADHO CN1CC[C@@H]2OCCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)[C@H]2C1 ZINC000423934995 416595996 /nfs/dbraw/zinc/59/59/96/416595996.db2.gz XTKRJTFTVHUBHE-PMPSAXMXSA-N 1 3 321.396 0.800 20 0 DCADHO CCN(CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424142205 416615209 /nfs/dbraw/zinc/61/52/09/416615209.db2.gz DMEQUWGVWJMCQZ-CYBMUJFWSA-N 1 3 306.414 0.417 20 0 DCADHO N[C@@H]1C[C@@H]1C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000424150679 416617617 /nfs/dbraw/zinc/61/76/17/416617617.db2.gz DRFZNTSNGKLXFJ-TUAOUCFPSA-N 1 3 306.435 0.961 20 0 DCADHO CN(C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[C@H]1CCN(C2CC2)C1 ZINC000424158511 416620808 /nfs/dbraw/zinc/62/08/08/416620808.db2.gz RBGKLAFSDMENKK-KBPBESRZSA-N 1 3 318.425 0.511 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)C[C@H]2N)cn1 ZINC000424221457 416629620 /nfs/dbraw/zinc/62/96/20/416629620.db2.gz BTKJQBNFBAKBGU-LJIGWXMPSA-N 1 3 317.437 0.453 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC000542818839 416632510 /nfs/dbraw/zinc/63/25/10/416632510.db2.gz CRJQCSTWXAXUTF-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424476068 416654273 /nfs/dbraw/zinc/65/42/73/416654273.db2.gz KAIHEVXNXUXFJF-AEGPPILISA-N 1 3 322.457 0.585 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424476068 416654276 /nfs/dbraw/zinc/65/42/76/416654276.db2.gz KAIHEVXNXUXFJF-AEGPPILISA-N 1 3 322.457 0.585 20 0 DCADHO CC[N@H+](C)C[C@H](O)Cn1cc(COc2ccccc2CN)nn1 ZINC000641224395 416744458 /nfs/dbraw/zinc/74/44/58/416744458.db2.gz YSGIKGXFWCTDFV-HNNXBMFYSA-N 1 3 319.409 0.628 20 0 DCADHO CC[N@@H+](C)C[C@H](O)Cn1cc(COc2ccccc2CN)nn1 ZINC000641224395 416744461 /nfs/dbraw/zinc/74/44/61/416744461.db2.gz YSGIKGXFWCTDFV-HNNXBMFYSA-N 1 3 319.409 0.628 20 0 DCADHO COCCN(C)C[C@@H](O)Cn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000641224870 416744869 /nfs/dbraw/zinc/74/48/69/416744869.db2.gz YDYLZCGPWILJJR-OAHLLOKOSA-N 1 3 319.409 0.343 20 0 DCADHO C[N@H+](C[C@@H](O)Cn1cc(CCN2CCCCC2)nn1)C1CC1 ZINC000641224738 416744916 /nfs/dbraw/zinc/74/49/16/416744916.db2.gz OMRJMLYFAXOSOS-MRXNPFEDSA-N 1 3 307.442 0.762 20 0 DCADHO C[N@@H+](C[C@@H](O)Cn1cc(CCN2CCCCC2)nn1)C1CC1 ZINC000641224738 416744924 /nfs/dbraw/zinc/74/49/24/416744924.db2.gz OMRJMLYFAXOSOS-MRXNPFEDSA-N 1 3 307.442 0.762 20 0 DCADHO CC[NH+](CC)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442443016 416694838 /nfs/dbraw/zinc/69/48/38/416694838.db2.gz JEVUKPHKMHNMQX-UHFFFAOYSA-N 1 3 313.490 0.653 20 0 DCADHO C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCCN2C2CC2)CC1(C)C ZINC000442962507 416722490 /nfs/dbraw/zinc/72/24/90/416722490.db2.gz HCQJXGTYGLYZIH-HNNXBMFYSA-N 1 3 308.470 0.755 20 0 DCADHO C[N@H+]1CCN(CCNC(=O)[C@@H]2CCCN2C2CC2)CC1(C)C ZINC000442962507 416722496 /nfs/dbraw/zinc/72/24/96/416722496.db2.gz HCQJXGTYGLYZIH-HNNXBMFYSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000516571271 416728128 /nfs/dbraw/zinc/72/81/28/416728128.db2.gz QBPJBLZQIVPJOM-CHWSQXEVSA-N 1 3 320.437 0.606 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000557246381 416729901 /nfs/dbraw/zinc/72/99/01/416729901.db2.gz BCKBNLRSUCLMDW-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000557256589 416730163 /nfs/dbraw/zinc/73/01/63/416730163.db2.gz QPVIBXYLSMGRRH-UHFFFAOYSA-N 1 3 318.421 0.231 20 0 DCADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000557256589 416730168 /nfs/dbraw/zinc/73/01/68/416730168.db2.gz QPVIBXYLSMGRRH-UHFFFAOYSA-N 1 3 318.421 0.231 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)nn1 ZINC000631845441 416762033 /nfs/dbraw/zinc/76/20/33/416762033.db2.gz BIOWLOGEBIBIIE-AWEZNQCLSA-N 1 3 306.414 0.433 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](CCC(=O)NC3CCCC3)C2)nn1 ZINC000631845441 416762039 /nfs/dbraw/zinc/76/20/39/416762039.db2.gz BIOWLOGEBIBIIE-AWEZNQCLSA-N 1 3 306.414 0.433 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000631853041 416768696 /nfs/dbraw/zinc/76/86/96/416768696.db2.gz MRUTUTOCTUKYRG-BBWFWOEESA-N 1 3 316.449 0.842 20 0 DCADHO C[NH2+]C[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631900980 416785943 /nfs/dbraw/zinc/78/59/43/416785943.db2.gz NUYXFDAYZFUDBZ-CQSZACIVSA-N 1 3 303.472 0.734 20 0 DCADHO O=S(=O)(CCC[NH+]1CCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000631927214 416808614 /nfs/dbraw/zinc/80/86/14/416808614.db2.gz TUWKEZRKUHIYHM-OAHLLOKOSA-N 1 3 315.483 0.876 20 0 DCADHO C[C@H]1CCN(CCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632056868 416886548 /nfs/dbraw/zinc/88/65/48/416886548.db2.gz MCUKNNQSAFDQRI-AWEZNQCLSA-N 1 3 303.472 0.734 20 0 DCADHO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)CCCN1CCCC1)C2 ZINC000631953190 416830071 /nfs/dbraw/zinc/83/00/71/416830071.db2.gz FAOXFMXVUMTYMU-KGLIPLIRSA-N 1 3 301.456 0.615 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000560314655 416837282 /nfs/dbraw/zinc/83/72/82/416837282.db2.gz CKMOEGUINGYNLX-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623635347 416858826 /nfs/dbraw/zinc/85/88/26/416858826.db2.gz DVHVCTLFNAPJRW-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623635347 416858837 /nfs/dbraw/zinc/85/88/37/416858837.db2.gz DVHVCTLFNAPJRW-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO Cc1c(C(=O)N2CCN[C@H](C)[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000564994767 416905081 /nfs/dbraw/zinc/90/50/81/416905081.db2.gz HQAMNIMKNCYWJK-MNOVXSKESA-N 1 3 306.414 0.333 20 0 DCADHO CCN1CC[C@H](N(C)C(=O)c2cn(CCC[NH3+])nn2)C[C@H]1C ZINC000565040739 416912945 /nfs/dbraw/zinc/91/29/45/416912945.db2.gz WBUZCTAANURJRB-OLZOCXBDSA-N 1 3 308.430 0.572 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1=O ZINC000519550906 416918320 /nfs/dbraw/zinc/91/83/20/416918320.db2.gz YWWWSHSDHAFWGF-KBUPBQIOSA-N 1 3 324.469 0.561 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428866644 416928652 /nfs/dbraw/zinc/92/86/52/416928652.db2.gz KDZOYYHRUYXWBM-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428980024 416938731 /nfs/dbraw/zinc/93/87/31/416938731.db2.gz MZOYCTAMWLSNAD-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1COCCN1C1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000520248774 416953857 /nfs/dbraw/zinc/95/38/57/416953857.db2.gz KOMDSOXNOJJACV-WMLDXEAASA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H]1COCCN1C1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000520248774 416953864 /nfs/dbraw/zinc/95/38/64/416953864.db2.gz KOMDSOXNOJJACV-WMLDXEAASA-N 1 3 311.470 0.627 20 0 DCADHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)[C@H](C)C1 ZINC000429457659 416975417 /nfs/dbraw/zinc/97/54/17/416975417.db2.gz VGKBVESWAMFEOG-OLZOCXBDSA-N 1 3 306.476 0.139 20 0 DCADHO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC[C@H]2CCCN2C)C1 ZINC000447399312 416996244 /nfs/dbraw/zinc/99/62/44/416996244.db2.gz WWBUXUICJWFNNG-BZUAXINKSA-N 1 3 300.443 0.817 20 0 DCADHO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000447399312 416996250 /nfs/dbraw/zinc/99/62/50/416996250.db2.gz WWBUXUICJWFNNG-BZUAXINKSA-N 1 3 300.443 0.817 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785669 417097065 /nfs/dbraw/zinc/09/70/65/417097065.db2.gz CNBIMKWATJVFNG-ZDUSSCGKSA-N 1 3 310.442 0.030 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785762 417101221 /nfs/dbraw/zinc/10/12/21/417101221.db2.gz HVVXUZFTTMXUGH-UONOGXRCSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642329781 417044154 /nfs/dbraw/zinc/04/41/54/417044154.db2.gz OVGLZXGHAPOHPI-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785756 417102620 /nfs/dbraw/zinc/10/26/20/417102620.db2.gz HTNKAQCYZGSMBE-CABCVRRESA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000642439640 417052338 /nfs/dbraw/zinc/05/23/38/417052338.db2.gz MLJFUNSDRXZETM-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430652478 417056691 /nfs/dbraw/zinc/05/66/91/417056691.db2.gz NCPHTFAXXWEEEO-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CCCOC1 ZINC000637324694 417072648 /nfs/dbraw/zinc/07/26/48/417072648.db2.gz FFOJDKOCDZTWQL-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[NH2+]CC1CC1 ZINC000430880451 417077025 /nfs/dbraw/zinc/07/70/25/417077025.db2.gz XTFKHPIGIODDAQ-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642773333 417093124 /nfs/dbraw/zinc/09/31/24/417093124.db2.gz REBWCTAOWASDPA-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918442 417124437 /nfs/dbraw/zinc/12/44/37/417124437.db2.gz UXACOXMNOQDUDG-UHFFFAOYSA-N 1 3 322.409 0.038 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000642905837 417113833 /nfs/dbraw/zinc/11/38/33/417113833.db2.gz VHERMEODYMUPKW-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO Cc1csc(=O)n1CCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430619243 287346940 /nfs/dbraw/zinc/34/69/40/287346940.db2.gz GAYDAAASIBUQEZ-LBPRGKRZSA-N 1 3 312.439 0.005 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000642908914 417119965 /nfs/dbraw/zinc/11/99/65/417119965.db2.gz BJCAXELUYNAHIU-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)CN1C1CC1 ZINC000568391139 417130804 /nfs/dbraw/zinc/13/08/04/417130804.db2.gz DJIGXVYAZCRHEO-NWDGAFQWSA-N 1 3 306.414 0.372 20 0 DCADHO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642981317 417134483 /nfs/dbraw/zinc/13/44/83/417134483.db2.gz YIOYIJHULZYNRN-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO COC(=O)COC[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449303474 417136191 /nfs/dbraw/zinc/13/61/91/417136191.db2.gz MOSBUPYZMIQVSV-CYBMUJFWSA-N 1 3 301.431 0.180 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+](C)C ZINC000568517457 417148929 /nfs/dbraw/zinc/14/89/29/417148929.db2.gz MXACLIPDUVXMLS-UONOGXRCSA-N 1 3 308.430 0.487 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000449642653 417157213 /nfs/dbraw/zinc/15/72/13/417157213.db2.gz GWEUKLTXQUXLRS-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449706973 417168882 /nfs/dbraw/zinc/16/88/82/417168882.db2.gz CKKFHMMGCTZJGI-CQSZACIVSA-N 1 3 321.421 0.735 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449706972 417169745 /nfs/dbraw/zinc/16/97/45/417169745.db2.gz CKKFHMMGCTZJGI-AWEZNQCLSA-N 1 3 321.421 0.735 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643513925 417229709 /nfs/dbraw/zinc/22/97/09/417229709.db2.gz NVAIKGDUPUMTON-YOEHRIQHSA-N 1 3 322.453 0.141 20 0 DCADHO COC[C@@]1(C(=O)NC[C@@H](N)c2ccccc2OC)CCCC[NH2+]1 ZINC000637804922 417189140 /nfs/dbraw/zinc/18/91/40/417189140.db2.gz SVRYOBOXZDFAGF-RHSMWYFYSA-N 1 3 321.421 0.970 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000637811034 417191727 /nfs/dbraw/zinc/19/17/27/417191727.db2.gz MOZTXLTXHUMRCK-INIZCTEOSA-N 1 3 304.438 0.656 20 0 DCADHO CNS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000643454619 417212946 /nfs/dbraw/zinc/21/29/46/417212946.db2.gz SFXGRTWAUSHCKG-CABCVRRESA-N 1 3 311.451 0.953 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643500439 417226411 /nfs/dbraw/zinc/22/64/11/417226411.db2.gz WCGYKWQSGUDMER-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCCO1 ZINC000414183029 417266029 /nfs/dbraw/zinc/26/60/29/417266029.db2.gz DPGUYQIJCMPHBB-HOTGVXAUSA-N 1 3 311.470 0.940 20 0 DCADHO CO[C@]1(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CCOC1 ZINC000637982586 417266863 /nfs/dbraw/zinc/26/68/63/417266863.db2.gz WDNZHYSGFKHAGX-INIZCTEOSA-N 1 3 313.442 0.182 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000569455515 417255370 /nfs/dbraw/zinc/25/53/70/417255370.db2.gz LHRQLMMFCWBUOV-NFAWXSAZSA-N 1 3 313.467 0.436 20 0 DCADHO C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)N(C)C1CC1 ZINC000433382338 417260603 /nfs/dbraw/zinc/26/06/03/417260603.db2.gz CTIPWTGGMUZPOM-WCQYABFASA-N 1 3 306.414 0.415 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638137853 417349129 /nfs/dbraw/zinc/34/91/29/417349129.db2.gz PIBWAMUQXQIOEE-ZDUSSCGKSA-N 1 3 301.394 0.819 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C1 ZINC000638140499 417350886 /nfs/dbraw/zinc/35/08/86/417350886.db2.gz JURXBZVGNCTIBK-GJZGRUSLSA-N 1 3 309.458 0.145 20 0 DCADHO C[C@@H]1C[NH+](CCCCNC(=O)[C@@]2(C)CNCCO2)C[C@@H](C)O1 ZINC000638074894 417310286 /nfs/dbraw/zinc/31/02/86/417310286.db2.gz BPRQCDROYYEMRG-IIAWOOMASA-N 1 3 313.442 0.371 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414913918 417312406 /nfs/dbraw/zinc/31/24/06/417312406.db2.gz NFOXYUKWDJZKBL-HNNXBMFYSA-N 1 3 316.405 0.781 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN(C)C(C)C)c1 ZINC000414880116 417312834 /nfs/dbraw/zinc/31/28/34/417312834.db2.gz PZJRVGSUPCNVGP-UHFFFAOYSA-N 1 3 306.410 0.801 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621839383 417317238 /nfs/dbraw/zinc/31/72/38/417317238.db2.gz RWHWWUDWBATSDK-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638086688 417318641 /nfs/dbraw/zinc/31/86/41/417318641.db2.gz IZRSZJCZUHLLBN-DZGCQCFKSA-N 1 3 320.393 0.632 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000638084574 417319620 /nfs/dbraw/zinc/31/96/20/417319620.db2.gz FGIIAJXZGPXIDQ-BBWFWOEESA-N 1 3 317.433 0.783 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000638084574 417319627 /nfs/dbraw/zinc/31/96/27/417319627.db2.gz FGIIAJXZGPXIDQ-BBWFWOEESA-N 1 3 317.433 0.783 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000638095722 417324035 /nfs/dbraw/zinc/32/40/35/417324035.db2.gz CLJLEZQZIWZFSZ-IRXDYDNUSA-N 1 3 318.465 0.998 20 0 DCADHO CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638097848 417327197 /nfs/dbraw/zinc/32/71/97/417327197.db2.gz HQUWXPZNHUSXRT-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638101651 417328746 /nfs/dbraw/zinc/32/87/46/417328746.db2.gz WAVFSTWOAYBHOX-GOEBONIOSA-N 1 3 313.442 0.372 20 0 DCADHO C[NH+](C)CCCOc1ccc(NC(=O)CN2CCNCC2)cc1 ZINC000638109904 417336177 /nfs/dbraw/zinc/33/61/77/417336177.db2.gz XLBDMZYDZFLOMK-UHFFFAOYSA-N 1 3 320.437 0.861 20 0 DCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415206493 417340989 /nfs/dbraw/zinc/34/09/89/417340989.db2.gz BNBQUTICASEOGL-OAHLLOKOSA-N 1 3 310.446 1.330 20 0 DCADHO Cc1cc(CN)oc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000638138161 417346999 /nfs/dbraw/zinc/34/69/99/417346999.db2.gz WUHVIONXKZCFGS-GFCCVEGCSA-N 1 3 308.426 0.660 20 0 DCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638257111 417395319 /nfs/dbraw/zinc/39/53/19/417395319.db2.gz SWHPYTZLOFTLMM-MNOVXSKESA-N 1 3 319.409 0.769 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622025187 417369518 /nfs/dbraw/zinc/36/95/18/417369518.db2.gz MDYIVDLUBGNLSD-PBHICJAKSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638211239 417375965 /nfs/dbraw/zinc/37/59/65/417375965.db2.gz OSRVIFUPTMCBSI-SNVBAGLBSA-N 1 3 305.382 0.381 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)CCOC2CNC2)CC[C@@H]1C(F)(F)F ZINC000638556486 417489275 /nfs/dbraw/zinc/48/92/75/417489275.db2.gz LFJNGNAMVYSMBI-ONGXEEELSA-N 1 3 309.332 0.351 20 0 DCADHO C[C@@H](Cc1cnccn1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638571260 417490733 /nfs/dbraw/zinc/49/07/33/417490733.db2.gz MPQUXLMCRLNPOR-UONOGXRCSA-N 1 3 305.426 0.585 20 0 DCADHO C[C@@H](Cc1cnccn1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638571260 417490736 /nfs/dbraw/zinc/49/07/36/417490736.db2.gz MPQUXLMCRLNPOR-UONOGXRCSA-N 1 3 305.426 0.585 20 0 DCADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000644149177 417482270 /nfs/dbraw/zinc/48/22/70/417482270.db2.gz FYJRRAIUAJVFEV-JSGCOSHPSA-N 1 3 306.414 0.183 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000638525421 417482559 /nfs/dbraw/zinc/48/25/59/417482559.db2.gz XSAUCTWJXQJKGX-AWEZNQCLSA-N 1 3 304.394 0.669 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638669865 417529786 /nfs/dbraw/zinc/52/97/86/417529786.db2.gz WWWXYEDXSPUKPJ-AWEZNQCLSA-N 1 3 305.378 0.876 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000575741162 417542936 /nfs/dbraw/zinc/54/29/36/417542936.db2.gz RUSCKLWOYVQXMQ-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO N[C@@H](CC1CCCCC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000638754435 417550145 /nfs/dbraw/zinc/55/01/45/417550145.db2.gz ZNZHXIFLLIQLOI-GJZGRUSLSA-N 1 3 320.441 0.726 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000638592881 417499692 /nfs/dbraw/zinc/49/96/92/417499692.db2.gz UHQRBFILJTWESJ-HEHGZKQESA-N 1 3 313.442 0.213 20 0 DCADHO CN1CC[C@H]2CN(C(=O)c3ccnc(OCC[NH+](C)C)c3)C[C@H]21 ZINC000452976783 417513500 /nfs/dbraw/zinc/51/35/00/417513500.db2.gz PLUCZOFRUDLSET-LSDHHAIUSA-N 1 3 318.421 0.798 20 0 DCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453023471 417518214 /nfs/dbraw/zinc/51/82/14/417518214.db2.gz DDUNYGFUNGWAKN-NUEKZKHPSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)C[C@@H](C)O1 ZINC000576148930 417583286 /nfs/dbraw/zinc/58/32/86/417583286.db2.gz BFPISXJBCQXFTD-PNBKFKSVSA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000576148930 417583290 /nfs/dbraw/zinc/58/32/90/417583290.db2.gz BFPISXJBCQXFTD-PNBKFKSVSA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000576148930 417583296 /nfs/dbraw/zinc/58/32/96/417583296.db2.gz BFPISXJBCQXFTD-PNBKFKSVSA-N 1 3 311.470 0.530 20 0 DCADHO CN1CCC(n2cc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cn2)CC1 ZINC000638976915 417593727 /nfs/dbraw/zinc/59/37/27/417593727.db2.gz HENICNDDHXKORD-KBPBESRZSA-N 1 3 307.398 0.452 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638983439 417596157 /nfs/dbraw/zinc/59/61/57/417596157.db2.gz ACRIBKIKEIOFQR-UONOGXRCSA-N 1 3 303.410 0.818 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000644527185 417614846 /nfs/dbraw/zinc/61/48/46/417614846.db2.gz SYVIYGKPAZYHQI-GOSISDBHSA-N 1 3 321.465 0.921 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000644527185 417614852 /nfs/dbraw/zinc/61/48/52/417614852.db2.gz SYVIYGKPAZYHQI-GOSISDBHSA-N 1 3 321.465 0.921 20 0 DCADHO CO[C@]1(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOC1 ZINC000639172815 417634214 /nfs/dbraw/zinc/63/42/14/417634214.db2.gz OQHSGXXGQFKOTO-SJORKVTESA-N 1 3 311.470 0.892 20 0 DCADHO CO[C@]1(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCOC1 ZINC000639172815 417634220 /nfs/dbraw/zinc/63/42/20/417634220.db2.gz OQHSGXXGQFKOTO-SJORKVTESA-N 1 3 311.470 0.892 20 0 DCADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000644639751 417635445 /nfs/dbraw/zinc/63/54/45/417635445.db2.gz XTYPVIZFRBENQD-CABCVRRESA-N 1 3 317.474 0.014 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]C[C@@H]2CCCN2CCCO)CC1 ZINC000639218074 417641723 /nfs/dbraw/zinc/64/17/23/417641723.db2.gz KRSKWAYVAKJZFE-INIZCTEOSA-N 1 3 313.486 0.658 20 0 DCADHO C[C@@H]1C[N@H+](CCc2cnccn2)CC[C@H]1N1CCN(C)CC1 ZINC000639553334 417693358 /nfs/dbraw/zinc/69/33/58/417693358.db2.gz MJOUJWHFQVYTGQ-NVXWUHKLSA-N 1 3 303.454 0.977 20 0 DCADHO C[C@@H]1C[N@@H+](CCc2cnccn2)CC[C@H]1N1CCN(C)CC1 ZINC000639553334 417693361 /nfs/dbraw/zinc/69/33/61/417693361.db2.gz MJOUJWHFQVYTGQ-NVXWUHKLSA-N 1 3 303.454 0.977 20 0 DCADHO CC[C@@H]1CN(CC)CCN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000456386234 417647361 /nfs/dbraw/zinc/64/73/61/417647361.db2.gz RICAEWWZNGMIEF-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCN1C ZINC000639261032 417647406 /nfs/dbraw/zinc/64/74/06/417647406.db2.gz KDDJFSHIGKMDGY-DLBZAZTESA-N 1 3 324.513 0.855 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000576966424 417650366 /nfs/dbraw/zinc/65/03/66/417650366.db2.gz XHKXAMATEDQMEW-OKILXGFUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000635749638 417755125 /nfs/dbraw/zinc/75/51/25/417755125.db2.gz MMDDRWGQUXELAX-HOTGVXAUSA-N 1 3 322.497 0.813 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)C2(C[NH+](C)C)CC2)ccn1 ZINC000635747242 417755296 /nfs/dbraw/zinc/75/52/96/417755296.db2.gz RDQVSMSTRIFXTQ-UHFFFAOYSA-N 1 3 320.437 0.980 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000580566687 417714519 /nfs/dbraw/zinc/71/45/19/417714519.db2.gz BCHLSKVYFNVWNA-NVXWUHKLSA-N 1 3 313.486 0.732 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000580566687 417714524 /nfs/dbraw/zinc/71/45/24/417714524.db2.gz BCHLSKVYFNVWNA-NVXWUHKLSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645262816 417721273 /nfs/dbraw/zinc/72/12/73/417721273.db2.gz HHEVFEDWQOJKEQ-STQMWFEESA-N 1 3 313.446 0.088 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635704547 417744270 /nfs/dbraw/zinc/74/42/70/417744270.db2.gz WIYYDCVSKMLTMO-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)nn1 ZINC000645953153 417830460 /nfs/dbraw/zinc/83/04/60/417830460.db2.gz FLKVGXDSGCOUAW-ZDUSSCGKSA-N 1 3 306.414 0.231 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000645953460 417831287 /nfs/dbraw/zinc/83/12/87/417831287.db2.gz UVJKQYIZSSZGQR-KBPBESRZSA-N 1 3 318.425 0.417 20 0 DCADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662517700 417792385 /nfs/dbraw/zinc/79/23/85/417792385.db2.gz WSOKZEYQZBVTSS-RDJZCZTQSA-N 1 3 314.433 0.727 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000646189710 417801007 /nfs/dbraw/zinc/80/10/07/417801007.db2.gz LAZFBDWNCRAVEW-KFWWJZLASA-N 1 3 313.490 0.685 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)[nH]1 ZINC000662556753 417806344 /nfs/dbraw/zinc/80/63/44/417806344.db2.gz CMNLKULPOUXCFQ-NEPJUHHUSA-N 1 3 300.366 0.996 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662674172 417847058 /nfs/dbraw/zinc/84/70/58/417847058.db2.gz ZHZGRUMQLAUVKV-GJZGRUSLSA-N 1 3 307.394 0.929 20 0 DCADHO O=C(NC[C@H]1CCN(C2CC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646419084 417847459 /nfs/dbraw/zinc/84/74/59/417847459.db2.gz MHQCZEZPWQROCN-CHWSQXEVSA-N 1 3 318.425 0.244 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646012555 417847753 /nfs/dbraw/zinc/84/77/53/417847753.db2.gz RTKBGYKBYZDPQA-ZIAGYGMSSA-N 1 3 320.441 0.634 20 0 DCADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662684880 417851476 /nfs/dbraw/zinc/85/14/76/417851476.db2.gz KZGBZKFSWCCORB-LXZKKBNFSA-N 1 3 317.389 0.522 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000662689298 417854539 /nfs/dbraw/zinc/85/45/39/417854539.db2.gz TVIVCIKSTMJFIW-LXTVHRRPSA-N 1 3 313.442 0.356 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)CC3([NH3+])CC3)ccc2oc1=O ZINC000662701476 417861661 /nfs/dbraw/zinc/86/16/61/417861661.db2.gz PTJYUXVDPWVLNB-UHFFFAOYSA-N 1 3 318.377 0.976 20 0 DCADHO C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)N(C)C1CC1 ZINC000662714111 417868971 /nfs/dbraw/zinc/86/89/71/417868971.db2.gz WLXMBJRCHMYJPI-TZMCWYRMSA-N 1 3 320.441 0.805 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662713465 417869343 /nfs/dbraw/zinc/86/93/43/417869343.db2.gz WOSVDXNJUKRRMT-UONOGXRCSA-N 1 3 320.441 0.759 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000636096947 417869517 /nfs/dbraw/zinc/86/95/17/417869517.db2.gz ANNJQLUATLPNDA-IYBDPMFKSA-N 1 3 308.470 0.757 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCN2C(=O)CCC2=O)C1 ZINC000652361436 417890477 /nfs/dbraw/zinc/89/04/77/417890477.db2.gz HKLRXSQKJAIWBY-MGPQQGTHSA-N 1 3 309.410 0.496 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662756021 417890763 /nfs/dbraw/zinc/89/07/63/417890763.db2.gz GXIGTKMWXRLHFN-HUUCEWRRSA-N 1 3 310.486 0.764 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662756997 417893376 /nfs/dbraw/zinc/89/33/76/417893376.db2.gz JOBRWMLXLNXJTB-AWEZNQCLSA-N 1 3 308.470 0.790 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)[nH]1 ZINC000662775497 417897949 /nfs/dbraw/zinc/89/79/49/417897949.db2.gz ROCZANXCYIFPQU-VXGBXAGGSA-N 1 3 316.365 0.233 20 0 DCADHO C[C@@H](CC(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@H]1CCC[NH2+]C1 ZINC000646803556 417916961 /nfs/dbraw/zinc/91/69/61/417916961.db2.gz IDXYNVUEJNXGPU-RYUDHWBXSA-N 1 3 321.429 0.179 20 0 DCADHO CN(C)[C@H](CNC(=O)Cn1cc(CC[NH3+])nn1)c1ccccc1 ZINC000640837370 417925512 /nfs/dbraw/zinc/92/55/12/417925512.db2.gz QHLSZXAWUPKFCE-OAHLLOKOSA-N 1 3 316.409 0.198 20 0 DCADHO O=C(C[NH2+]CC1CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858901 417926273 /nfs/dbraw/zinc/92/62/73/417926273.db2.gz JRJKEWIGLBBXDR-QGZVFWFLSA-N 1 3 317.433 0.869 20 0 DCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652701961 417948738 /nfs/dbraw/zinc/94/87/38/417948738.db2.gz MMBRBWDBBZXMOV-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662928897 417954315 /nfs/dbraw/zinc/95/43/15/417954315.db2.gz VIDLVBPWFLPRTE-LBPRGKRZSA-N 1 3 312.458 0.371 20 0 DCADHO CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H](CN)C(F)(F)F ZINC000662985483 417971536 /nfs/dbraw/zinc/97/15/36/417971536.db2.gz VPPJEAVGIMCNBO-OIBJUYFYSA-N 1 3 305.304 0.448 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000647479555 418013128 /nfs/dbraw/zinc/01/31/28/418013128.db2.gz LLHDVXNWWQYVFT-BZUAXINKSA-N 1 3 308.470 0.648 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1cn(C)nc1-c1cccnc1 ZINC000647492822 418014785 /nfs/dbraw/zinc/01/47/85/418014785.db2.gz BRUULWZIAOLHKO-UHFFFAOYSA-N 1 3 314.437 0.819 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653047746 418016604 /nfs/dbraw/zinc/01/66/04/418016604.db2.gz PWLXSFZZUJBBCR-CABCVRRESA-N 1 3 315.421 0.960 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCN(CC)C1 ZINC000658820078 418026351 /nfs/dbraw/zinc/02/63/51/418026351.db2.gz BWBIKHUBXSTZCJ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000653105795 418027108 /nfs/dbraw/zinc/02/71/08/418027108.db2.gz JVSQHJCYTXQCTN-JKSUJKDBSA-N 1 3 304.438 0.656 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124591 418032256 /nfs/dbraw/zinc/03/22/56/418032256.db2.gz BFERGTYXNLEXSU-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653151293 418036997 /nfs/dbraw/zinc/03/69/97/418036997.db2.gz BXFZCDFLTMBNHJ-OIISXLGYSA-N 1 3 318.465 0.902 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)C2)nn1 ZINC000653163696 418040142 /nfs/dbraw/zinc/04/01/42/418040142.db2.gz OQGHBWFEPKXECL-ILXRZTDVSA-N 1 3 318.425 0.431 20 0 DCADHO CC(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000658944886 418041119 /nfs/dbraw/zinc/04/11/19/418041119.db2.gz LDSAWXRXLWMUFR-JHJVBQTASA-N 1 3 302.440 0.800 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000653180250 418042466 /nfs/dbraw/zinc/04/24/66/418042466.db2.gz SNAOVLWACANAOB-GFCCVEGCSA-N 1 3 305.369 0.458 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)NC[C@@H]1CNCCO1 ZINC000659552755 418117309 /nfs/dbraw/zinc/11/73/09/418117309.db2.gz FWLVJUXVKHQDQR-HNNXBMFYSA-N 1 3 310.442 0.396 20 0 DCADHO CC(C)OC[C@H](N)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000659246778 418073206 /nfs/dbraw/zinc/07/32/06/418073206.db2.gz PSCAXUIWJJFFDK-ZDUSSCGKSA-N 1 3 321.425 0.524 20 0 DCADHO [NH3+]C1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCCC1 ZINC000659575610 418121342 /nfs/dbraw/zinc/12/13/42/418121342.db2.gz RAFQSBLMLXJWDQ-AWEZNQCLSA-N 1 3 310.442 0.810 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659608513 418125381 /nfs/dbraw/zinc/12/53/81/418125381.db2.gz OSJXJZBFYNWBNE-AWEZNQCLSA-N 1 3 312.458 0.866 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659609116 418125767 /nfs/dbraw/zinc/12/57/67/418125767.db2.gz SSNGUWGKJYUHMT-GUTXKFCHSA-N 1 3 308.426 0.101 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000659611667 418126833 /nfs/dbraw/zinc/12/68/33/418126833.db2.gz STRNIDWUWDAAAC-LSDHHAIUSA-N 1 3 324.469 0.868 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000659618574 418128709 /nfs/dbraw/zinc/12/87/09/418128709.db2.gz IXTBOXPNQVOBHF-UONOGXRCSA-N 1 3 300.447 0.506 20 0 DCADHO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654361174 418136639 /nfs/dbraw/zinc/13/66/39/418136639.db2.gz GKZFETQTSGOODX-LSDHHAIUSA-N 1 3 308.426 0.074 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000659648339 418137170 /nfs/dbraw/zinc/13/71/70/418137170.db2.gz RWLMLGMSPDZKGS-PBHICJAKSA-N 1 3 320.437 0.531 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659685100 418145985 /nfs/dbraw/zinc/14/59/85/418145985.db2.gz MSXLVCNWZCWYFQ-UHFFFAOYSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC[C@@H]1C ZINC000664758192 418151737 /nfs/dbraw/zinc/15/17/37/418151737.db2.gz NCIRNORZZPBDHF-KKUMJFAQSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC[C@@H]1C ZINC000664758192 418151738 /nfs/dbraw/zinc/15/17/38/418151738.db2.gz NCIRNORZZPBDHF-KKUMJFAQSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000659704318 418153773 /nfs/dbraw/zinc/15/37/73/418153773.db2.gz JZPMFGFIVDHTIA-YUELXQCFSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659710114 418156628 /nfs/dbraw/zinc/15/66/28/418156628.db2.gz MNUZLRYFWLCNBI-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000659713968 418158714 /nfs/dbraw/zinc/15/87/14/418158714.db2.gz SETFUJUHPVKQBW-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664934504 418162168 /nfs/dbraw/zinc/16/21/68/418162168.db2.gz CVWPDTJQFSPHNB-RDBSUJKOSA-N 1 3 300.447 0.423 20 0 DCADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664934504 418162171 /nfs/dbraw/zinc/16/21/71/418162171.db2.gz CVWPDTJQFSPHNB-RDBSUJKOSA-N 1 3 300.447 0.423 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000659725965 418165015 /nfs/dbraw/zinc/16/50/15/418165015.db2.gz FOTKWICEHNXEDG-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCC2)CCN1C ZINC000659732858 418168564 /nfs/dbraw/zinc/16/85/64/418168564.db2.gz UVNDJPPQVDBNTD-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659734710 418168695 /nfs/dbraw/zinc/16/86/95/418168695.db2.gz BQNISWHYISVJJF-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659001 418173125 /nfs/dbraw/zinc/17/31/25/418173125.db2.gz ZDKGUIKQFWXBCV-OKILXGFUSA-N 1 3 300.447 0.546 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000659741878 418173738 /nfs/dbraw/zinc/17/37/38/418173738.db2.gz QCXFUBNEKWQTTG-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO COC[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OC ZINC000660276195 418245010 /nfs/dbraw/zinc/24/50/10/418245010.db2.gz OVCNXHSFADTVAT-INIZCTEOSA-N 1 3 313.486 0.997 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649351825 418246491 /nfs/dbraw/zinc/24/64/91/418246491.db2.gz VUGWYJYMJBDCQS-JYAVWHMHSA-N 1 3 301.394 0.237 20 0 DCADHO CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCN(C)C1 ZINC000649000559 418184352 /nfs/dbraw/zinc/18/43/52/418184352.db2.gz XRHAVGILOHVRKL-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665229932 418187021 /nfs/dbraw/zinc/18/70/21/418187021.db2.gz GPZSZUROTMCQSZ-LLVKDONJSA-N 1 3 314.455 0.781 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NCCCN2CCC(O)CC2)n1 ZINC000654810913 418190384 /nfs/dbraw/zinc/19/03/84/418190384.db2.gz CSEQXNKZUIZQTC-UHFFFAOYSA-N 1 3 323.441 0.021 20 0 DCADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294031 418192939 /nfs/dbraw/zinc/19/29/39/418192939.db2.gz HBRHRTXMCVEYRB-FZMZJTMJSA-N 1 3 301.394 0.689 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660844553 418293718 /nfs/dbraw/zinc/29/37/18/418293718.db2.gz PEONDEDWRZEOMO-HIFRSBDPSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022028 418318119 /nfs/dbraw/zinc/31/81/19/418318119.db2.gz RYRJBKUQWWWOGC-ZNMIVQPWSA-N 1 3 322.453 0.235 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656026008 418320495 /nfs/dbraw/zinc/32/04/95/418320495.db2.gz ZIRUUSICYASOSK-LXTVHRRPSA-N 1 3 322.453 0.363 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000650715226 418321819 /nfs/dbraw/zinc/32/18/19/418321819.db2.gz VGVOYRABARFPIM-UKRRQHHQSA-N 1 3 302.422 0.810 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449984 418263256 /nfs/dbraw/zinc/26/32/56/418263256.db2.gz YHBMGCWUYNMLTH-RDJZCZTQSA-N 1 3 308.470 0.520 20 0 DCADHO CO[C@@]1(CO)CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000661391529 418336246 /nfs/dbraw/zinc/33/62/46/418336246.db2.gz HIPUQCAEXQNBJI-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO CO[C@@]1(CO)CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000661391529 418336251 /nfs/dbraw/zinc/33/62/51/418336251.db2.gz HIPUQCAEXQNBJI-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO C[NH+]1CCC(O)(CNCc2cnnn2-c2ccccc2)CC1 ZINC000651721196 418406313 /nfs/dbraw/zinc/40/63/13/418406313.db2.gz XAYIKDVNUJRPHG-UHFFFAOYSA-N 1 3 301.394 0.814 20 0 DCADHO CC1(C)CNCCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662423044 418409009 /nfs/dbraw/zinc/40/90/09/418409009.db2.gz TVIDQOVOPPDWHX-GFCCVEGCSA-N 1 3 306.414 0.417 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294438 418399414 /nfs/dbraw/zinc/39/94/14/418399414.db2.gz WCCIBUDIQMWDSP-OAHLLOKOSA-N 1 3 317.499 0.980 20 0 DCADHO C(C[N@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1)N1CCOCC1 ZINC000662314849 418400481 /nfs/dbraw/zinc/40/04/81/418400481.db2.gz IGLOMVGDDQKHHF-MRXNPFEDSA-N 1 3 309.454 0.552 20 0 DCADHO C(C[N@@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1)N1CCOCC1 ZINC000662314849 418400483 /nfs/dbraw/zinc/40/04/83/418400483.db2.gz IGLOMVGDDQKHHF-MRXNPFEDSA-N 1 3 309.454 0.552 20 0 DCADHO C[C@H](CNC(=O)NCCOCCN(C)C)C[NH+]1CCCCC1 ZINC000471647118 287518853 /nfs/dbraw/zinc/51/88/53/287518853.db2.gz OUGZAFMBGXEOAQ-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000354703381 261262412 /nfs/dbraw/zinc/26/24/12/261262412.db2.gz YZHONDMBINGETN-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CCOC(=O)[C@@](C)(O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000355071051 261303763 /nfs/dbraw/zinc/30/37/63/261303763.db2.gz BEXAMUCUPVDJNJ-INIZCTEOSA-N 1 3 315.458 0.258 20 0 DCADHO CCOC(=O)[C@@](C)(O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000355071051 261303765 /nfs/dbraw/zinc/30/37/65/261303765.db2.gz BEXAMUCUPVDJNJ-INIZCTEOSA-N 1 3 315.458 0.258 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000355276021 261324996 /nfs/dbraw/zinc/32/49/96/261324996.db2.gz SLCOHOCQUDOKMC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000363145824 262101557 /nfs/dbraw/zinc/10/15/57/262101557.db2.gz SLQMBMUCYOOTKZ-INIZCTEOSA-N 1 3 308.470 0.757 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417093456 262245389 /nfs/dbraw/zinc/24/53/89/262245389.db2.gz OKUOUVOTIPXLII-ZIAGYGMSSA-N 1 3 300.447 0.771 20 0 DCADHO CN(CCNC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000417227268 262247909 /nfs/dbraw/zinc/24/79/09/262247909.db2.gz CCFULZRXJNYIRG-INIZCTEOSA-N 1 3 320.437 0.878 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417741666 262260103 /nfs/dbraw/zinc/26/01/03/262260103.db2.gz AMNMJPPGIGYKAP-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000417757257 262260757 /nfs/dbraw/zinc/26/07/57/262260757.db2.gz SZBSZYZXCGKVFR-KGLIPLIRSA-N 1 3 300.447 0.642 20 0 DCADHO COCC[NH2+]CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418116204 262270384 /nfs/dbraw/zinc/27/03/84/262270384.db2.gz QAVQZIHVDNENAP-AWEZNQCLSA-N 1 3 316.446 0.023 20 0 DCADHO C[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418318876 262274897 /nfs/dbraw/zinc/27/48/97/262274897.db2.gz CGOHPHZJSPPRBD-HOTGVXAUSA-N 1 3 320.437 0.388 20 0 DCADHO C[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418318877 262274946 /nfs/dbraw/zinc/27/49/46/262274946.db2.gz CGOHPHZJSPPRBD-HZPDHXFCSA-N 1 3 320.437 0.388 20 0 DCADHO COCC1(CNC(=O)N(CCN(C)C)C(C)C)CC[NH2+]CC1 ZINC000418642280 262284575 /nfs/dbraw/zinc/28/45/75/262284575.db2.gz SZMJISYZISGUPG-UHFFFAOYSA-N 1 3 314.474 0.984 20 0 DCADHO COCC1(CNC(=O)NC(C)(C)CN(C)C)CC[NH2+]CC1 ZINC000418639750 262284579 /nfs/dbraw/zinc/28/45/79/262284579.db2.gz NJAKHYVJOXDALL-UHFFFAOYSA-N 1 3 300.447 0.642 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418827653 262291559 /nfs/dbraw/zinc/29/15/59/262291559.db2.gz DRPWOFGTJWRLLY-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418829525 262292028 /nfs/dbraw/zinc/29/20/28/262292028.db2.gz HAGVYNDWMXOBMA-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[NH2+]C)C1 ZINC000418862088 262293801 /nfs/dbraw/zinc/29/38/01/262293801.db2.gz HJWXGJVXEYAJKB-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000419005006 262303497 /nfs/dbraw/zinc/30/34/97/262303497.db2.gz VJZLUQJWOSLBIR-OAHLLOKOSA-N 1 3 318.421 0.185 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419006972 262303852 /nfs/dbraw/zinc/30/38/52/262303852.db2.gz WYIWOFNDDLGHGH-UHFFFAOYSA-N 1 3 320.437 0.480 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000419119462 262310186 /nfs/dbraw/zinc/31/01/86/262310186.db2.gz JWIDUOTYCITPQE-ZNMIVQPWSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)[C@@H]1C[NH3+] ZINC000419120762 262310650 /nfs/dbraw/zinc/31/06/50/262310650.db2.gz ULMSGZWWXVGTSG-SWLSCSKDSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419125825 262310826 /nfs/dbraw/zinc/31/08/26/262310826.db2.gz USYUHHUNHMVOOP-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCC(C)CC1 ZINC000419164063 262315259 /nfs/dbraw/zinc/31/52/59/262315259.db2.gz YCJPQOJSPBUKNI-OCCSQVGLSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000419162520 262315314 /nfs/dbraw/zinc/31/53/14/262315314.db2.gz UOMDIZDARNRRCR-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419170522 262316811 /nfs/dbraw/zinc/31/68/11/262316811.db2.gz NQKYRTZADVOYQT-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000419234732 262322164 /nfs/dbraw/zinc/32/21/64/262322164.db2.gz IIKCZEOZELVBBT-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419285066 262323878 /nfs/dbraw/zinc/32/38/78/262323878.db2.gz MDDZBMHVSZGRBK-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000419406294 262330277 /nfs/dbraw/zinc/33/02/77/262330277.db2.gz IJNOMYZXJLQYEO-LSDHHAIUSA-N 1 3 324.469 0.422 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419409678 262331475 /nfs/dbraw/zinc/33/14/75/262331475.db2.gz NNYAPBBFHNFJKZ-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000419416578 262331721 /nfs/dbraw/zinc/33/17/21/262331721.db2.gz WJUDFOZZPVWNMT-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419429004 262333297 /nfs/dbraw/zinc/33/32/97/262333297.db2.gz UGOBTAYODQWZAS-WMLDXEAASA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419596443 262339987 /nfs/dbraw/zinc/33/99/87/262339987.db2.gz YNBMSTYGJAOFTL-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419698409 262347071 /nfs/dbraw/zinc/34/70/71/262347071.db2.gz SISIETUQTLWGGK-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699193 262347496 /nfs/dbraw/zinc/34/74/96/262347496.db2.gz VQKXROFLXTVMOV-YDHLFZDLSA-N 1 3 322.453 0.363 20 0 DCADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000419837148 262347971 /nfs/dbraw/zinc/34/79/71/262347971.db2.gz WGTHGXTVENERSR-KKUMJFAQSA-N 1 3 322.453 0.363 20 0 DCADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000419837148 262347973 /nfs/dbraw/zinc/34/79/73/262347973.db2.gz WGTHGXTVENERSR-KKUMJFAQSA-N 1 3 322.453 0.363 20 0 DCADHO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)C1CC1 ZINC000419879707 262351597 /nfs/dbraw/zinc/35/15/97/262351597.db2.gz ZSNCPWSISIAHPK-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419993032 262356134 /nfs/dbraw/zinc/35/61/34/262356134.db2.gz KDMUCQRCEAHQRN-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420070495 262358880 /nfs/dbraw/zinc/35/88/80/262358880.db2.gz CNIVPXWIMCQZAF-UHFFFAOYSA-N 1 3 300.447 0.420 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420073994 262359511 /nfs/dbraw/zinc/35/95/11/262359511.db2.gz PTHZBQNQLHVNJM-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420073994 262359512 /nfs/dbraw/zinc/35/95/12/262359512.db2.gz PTHZBQNQLHVNJM-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420077265 262359610 /nfs/dbraw/zinc/35/96/10/262359610.db2.gz YDDSHGJOUCCLFB-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CCC1 ZINC000420091549 262359934 /nfs/dbraw/zinc/35/99/34/262359934.db2.gz NAGQOKIIPQBDJF-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420098532 262360718 /nfs/dbraw/zinc/36/07/18/262360718.db2.gz DMSKTBGWPMANQJ-MRXNPFEDSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000420102019 262361357 /nfs/dbraw/zinc/36/13/57/262361357.db2.gz MNOWANKFXABABP-CJNGLKHVSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420137997 262362586 /nfs/dbraw/zinc/36/25/86/262362586.db2.gz FFQIQWFYFLJTHF-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420138000 262362722 /nfs/dbraw/zinc/36/27/22/262362722.db2.gz FFQIQWFYFLJTHF-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCNc1nc(N[C@H]2CC[C@H](C[NH3+])C2)nc(NC(C)(C)C)n1 ZINC000420278694 262368864 /nfs/dbraw/zinc/36/88/64/262368864.db2.gz RUFRXQQGNCIUER-QWRGUYRKSA-N 1 3 307.446 0.897 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H](C[NH3+])C2CCCC2)CC1=O ZINC000423967614 262474213 /nfs/dbraw/zinc/47/42/13/262474213.db2.gz SWNGYABVXYIMDA-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418713299 271250266 /nfs/dbraw/zinc/25/02/66/271250266.db2.gz WHQIFOCPNBYOCH-UONOGXRCSA-N 1 3 300.447 0.506 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000418722275 271251443 /nfs/dbraw/zinc/25/14/43/271251443.db2.gz MQTQISRCDKHAON-RBSFLKMASA-N 1 3 312.458 0.650 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000418732362 271254137 /nfs/dbraw/zinc/25/41/37/271254137.db2.gz UNNYGFWWHYIPNN-RBSFLKMASA-N 1 3 312.458 0.650 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000418845343 271258636 /nfs/dbraw/zinc/25/86/36/271258636.db2.gz VARSHAMSKHOIRH-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CN(CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418991545 271264190 /nfs/dbraw/zinc/26/41/90/271264190.db2.gz DXGGDUVFCLRTSP-HNNXBMFYSA-N 1 3 318.421 0.103 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419029746 271267731 /nfs/dbraw/zinc/26/77/31/271267731.db2.gz RZKUMJYZPUIJKX-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419029192 271267829 /nfs/dbraw/zinc/26/78/29/271267829.db2.gz RDXJMIPHUAEIJR-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000419140985 271275485 /nfs/dbraw/zinc/27/54/85/271275485.db2.gz AAIFHGJTMXQPIP-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419430866 271290356 /nfs/dbraw/zinc/29/03/56/271290356.db2.gz WKMIMSCNKUFXCG-RDBSUJKOSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)N(C)C1CC1 ZINC000419577455 271309313 /nfs/dbraw/zinc/30/93/13/271309313.db2.gz DDGUURUAKVGARO-SWLSCSKDSA-N 1 3 324.469 0.609 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419583984 271311591 /nfs/dbraw/zinc/31/15/91/271311591.db2.gz KUSVKQPBSOAUOX-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419703158 271321907 /nfs/dbraw/zinc/32/19/07/271321907.db2.gz VUHGIZCNWSVLFY-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419941624 271347004 /nfs/dbraw/zinc/34/70/04/271347004.db2.gz XIFBVCQXIFGVMK-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419946571 271347897 /nfs/dbraw/zinc/34/78/97/271347897.db2.gz BBNIXRJFNFPRCE-KFWWJZLASA-N 1 3 324.469 0.561 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419951422 271349347 /nfs/dbraw/zinc/34/93/47/271349347.db2.gz JJALLGPQVGPGMN-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419951422 271349348 /nfs/dbraw/zinc/34/93/48/271349348.db2.gz JJALLGPQVGPGMN-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422824575 271386679 /nfs/dbraw/zinc/38/66/79/271386679.db2.gz HJEMRWKCSOPLNJ-JKSUJKDBSA-N 1 3 318.469 0.706 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000459893383 272017048 /nfs/dbraw/zinc/01/70/48/272017048.db2.gz GKRBXHYRZVJFJX-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)C/C=C\C(=O)N(CCNC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491848252 272107554 /nfs/dbraw/zinc/10/75/54/272107554.db2.gz MSDARXWBDPGZCU-SFECMWDFSA-N 1 3 322.453 0.329 20 0 DCADHO CN(C)C/C=C\C(=O)NCCN(C(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491848252 272107557 /nfs/dbraw/zinc/10/75/57/272107557.db2.gz MSDARXWBDPGZCU-SFECMWDFSA-N 1 3 322.453 0.329 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491866269 272108237 /nfs/dbraw/zinc/10/82/37/272108237.db2.gz JEXVWQBFWJYQMZ-PLNGDYQASA-N 1 3 303.410 0.890 20 0 DCADHO C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[C@H]1N1CCN(C)CC1 ZINC000492322645 272123656 /nfs/dbraw/zinc/12/36/56/272123656.db2.gz SOTFDNFAYCMESV-ILNYKDOHSA-N 1 3 308.470 0.589 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237324417 278243987 /nfs/dbraw/zinc/24/39/87/278243987.db2.gz BICHJBIYKUIGEK-HNNXBMFYSA-N 1 3 304.438 0.910 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353581366 279176258 /nfs/dbraw/zinc/17/62/58/279176258.db2.gz WZRJCZSVMCVRMF-CVEARBPZSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000353581366 279176264 /nfs/dbraw/zinc/17/62/64/279176264.db2.gz WZRJCZSVMCVRMF-CVEARBPZSA-N 1 3 310.486 0.988 20 0 DCADHO CCN1CCN(CCC[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000341757438 279357335 /nfs/dbraw/zinc/35/73/35/279357335.db2.gz JGICICIOJUREIS-AWEZNQCLSA-N 1 3 303.472 0.181 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000343438948 279362134 /nfs/dbraw/zinc/36/21/34/279362134.db2.gz NXIXVYRAVMALCM-OAGGEKHMSA-N 1 3 310.486 0.764 20 0 DCADHO C[N@H+](C[C@H](O)CN[C@@H]1CCCC[C@@H]1N1CCOCC1)C1CC1 ZINC000554939672 288341649 /nfs/dbraw/zinc/34/16/49/288341649.db2.gz IZPKYYQGZXQVMI-ZACQAIPSSA-N 1 3 311.470 0.675 20 0 DCADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCCC[C@@H]1N1CCOCC1)C1CC1 ZINC000554939672 288341654 /nfs/dbraw/zinc/34/16/54/288341654.db2.gz IZPKYYQGZXQVMI-ZACQAIPSSA-N 1 3 311.470 0.675 20 0 DCADHO CN(C)[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC000561148520 288528547 /nfs/dbraw/zinc/52/85/47/288528547.db2.gz DFFFUDZSDVREBX-CAOSSQGBSA-N 1 3 302.422 0.676 20 0 DCADHO Cc1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000561523446 288546503 /nfs/dbraw/zinc/54/65/03/288546503.db2.gz BCOZJBRFKHIWIG-UHFFFAOYSA-N 1 3 310.446 0.363 20 0 DCADHO CSC[C@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000562988121 288612858 /nfs/dbraw/zinc/61/28/58/288612858.db2.gz UCJNYUDLEFSMDW-OAHLLOKOSA-N 1 3 301.500 0.859 20 0 DCADHO NC(=O)CCNCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000564204620 288729837 /nfs/dbraw/zinc/72/98/37/288729837.db2.gz QAXQJIJRJUUKOV-UHFFFAOYSA-N 1 3 318.421 0.349 20 0 DCADHO [NH3+][C@H]1CCc2ncc(NC(=O)CNC[C@@H]3CCCO3)cc2C1 ZINC000564442942 288743636 /nfs/dbraw/zinc/74/36/36/288743636.db2.gz KMSVDDCVKLSQHQ-JSGCOSHPSA-N 1 3 304.394 0.605 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418304397 289148878 /nfs/dbraw/zinc/14/88/78/289148878.db2.gz XNUDAULNPAXIEH-UHFFFAOYSA-N 1 3 323.441 0.258 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000343305375 289298004 /nfs/dbraw/zinc/29/80/04/289298004.db2.gz XGHMHHRNMUATFA-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)nc(C)n1 ZINC000570070772 332708411 /nfs/dbraw/zinc/70/84/11/332708411.db2.gz KEMWZACSBLCZOR-UHFFFAOYSA-N 1 3 322.457 0.728 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1(C)C ZINC000580194062 332996800 /nfs/dbraw/zinc/99/68/00/332996800.db2.gz PWOJLZSTCGZODT-YGOYTEALSA-N 1 3 311.348 0.915 20 0 DCADHO CN1CCN(CC2CCN(C(=O)C[NH2+]CC3CC3)CC2)CC1 ZINC000584351725 336066740 /nfs/dbraw/zinc/06/67/40/336066740.db2.gz DFRLLOASIXSDOV-UHFFFAOYSA-N 1 3 308.470 0.472 20 0 DCADHO C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000583018792 337225410 /nfs/dbraw/zinc/22/54/10/337225410.db2.gz BKOMDIVLWCRRHX-CHWSQXEVSA-N 1 3 308.426 0.829 20 0 DCADHO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCNC1 ZINC000583018792 337225411 /nfs/dbraw/zinc/22/54/11/337225411.db2.gz BKOMDIVLWCRRHX-CHWSQXEVSA-N 1 3 308.426 0.829 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000583092565 337239782 /nfs/dbraw/zinc/23/97/82/337239782.db2.gz SNCKIXDWCVCGGK-QGZVFWFLSA-N 1 3 306.454 0.900 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000583092565 337239783 /nfs/dbraw/zinc/23/97/83/337239783.db2.gz SNCKIXDWCVCGGK-QGZVFWFLSA-N 1 3 306.454 0.900 20 0 DCADHO CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000576205849 341833012 /nfs/dbraw/zinc/83/30/12/341833012.db2.gz KPMTXGDHSZBENJ-OKILXGFUSA-N 1 3 300.447 0.689 20 0 DCADHO CO[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000577953438 341957623 /nfs/dbraw/zinc/95/76/23/341957623.db2.gz UDQXNQXFZFXABR-IIAWOOMASA-N 1 3 303.406 0.838 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCCF)CCOCC2)CC[N@@H+]1C ZINC001446704681 1159506392 /nfs/dbraw/zinc/50/63/92/1159506392.db2.gz XKGQWXQTFNDHFP-UONOGXRCSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCCF)CCOCC2)CC[N@H+]1C ZINC001446704681 1159506398 /nfs/dbraw/zinc/50/63/98/1159506398.db2.gz XKGQWXQTFNDHFP-UONOGXRCSA-N 1 3 315.433 0.941 20 0 DCADHO CCCN(C(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000332612006 527721337 /nfs/dbraw/zinc/72/13/37/527721337.db2.gz RHYAENNBKLPFIX-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000332561839 528975696 /nfs/dbraw/zinc/97/56/96/528975696.db2.gz QXALNSNAPUNHFU-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[C@H]1CN(C)CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000423782411 535232248 /nfs/dbraw/zinc/23/22/48/535232248.db2.gz ZJOBNIPLGRPUBY-SWLSCSKDSA-N 1 3 305.426 0.899 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073642692 545664680 /nfs/dbraw/zinc/66/46/80/545664680.db2.gz JHZHJFOKEKTZNL-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)C[C@H]2N)cn1 ZINC000333596905 546085990 /nfs/dbraw/zinc/08/59/90/546085990.db2.gz PWCQUXFOKOKEDD-MJBXVCDLSA-N 1 3 305.426 0.451 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000342978322 546125158 /nfs/dbraw/zinc/12/51/58/546125158.db2.gz ADTRVSQZDCQAEA-CQSZACIVSA-N 1 3 314.474 0.632 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342981095 546126297 /nfs/dbraw/zinc/12/62/97/546126297.db2.gz ZWAZHFVGKSWAAB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1C[C@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000358696806 546193975 /nfs/dbraw/zinc/19/39/75/546193975.db2.gz URHRUZWHJZFZRG-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)Cc1cnc[nH]1 ZINC000665763726 546396772 /nfs/dbraw/zinc/39/67/72/546396772.db2.gz KJOSWBRNDMVEFJ-ZDUSSCGKSA-N 1 3 310.446 0.823 20 0 DCADHO CC(C)[C@](C)(CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762953 546397124 /nfs/dbraw/zinc/39/71/24/546397124.db2.gz VKVJQOUGPKIEDS-HOCLYGCPSA-N 1 3 316.490 0.965 20 0 DCADHO CC(C)[C@](C)(CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762953 546397127 /nfs/dbraw/zinc/39/71/27/546397127.db2.gz VKVJQOUGPKIEDS-HOCLYGCPSA-N 1 3 316.490 0.965 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000665762386 546397316 /nfs/dbraw/zinc/39/73/16/546397316.db2.gz CCQXBHJWDQEDQA-BYNSBNAKSA-N 1 3 312.458 0.138 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000665762386 546397319 /nfs/dbraw/zinc/39/73/19/546397319.db2.gz CCQXBHJWDQEDQA-BYNSBNAKSA-N 1 3 312.458 0.138 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000666922141 546528206 /nfs/dbraw/zinc/52/82/06/546528206.db2.gz KWIMCOPYINNPSS-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000666922141 546528209 /nfs/dbraw/zinc/52/82/09/546528209.db2.gz KWIMCOPYINNPSS-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000668302261 546724622 /nfs/dbraw/zinc/72/46/22/546724622.db2.gz CIXJRTPFVLYCKD-ZIAGYGMSSA-N 1 3 307.442 0.475 20 0 DCADHO CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@H]1CCN(CC)C1 ZINC000668361884 546741601 /nfs/dbraw/zinc/74/16/01/546741601.db2.gz LIWFCCNTASGQNQ-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000668670353 546817951 /nfs/dbraw/zinc/81/79/51/546817951.db2.gz KLRQHSFSJCSSAX-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CCO1 ZINC000669406212 546967571 /nfs/dbraw/zinc/96/75/71/546967571.db2.gz UUHUDNSFBRQUEW-GDBMZVCRSA-N 1 3 320.437 0.876 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000669491519 546979360 /nfs/dbraw/zinc/97/93/60/546979360.db2.gz NOQSGDLBOYELCA-KGLIPLIRSA-N 1 3 312.458 0.785 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672015023 547313655 /nfs/dbraw/zinc/31/36/55/547313655.db2.gz QKLXTGTWSBMNRE-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000672207897 547329577 /nfs/dbraw/zinc/32/95/77/547329577.db2.gz XJGYAPIWJOGJNF-KBPBESRZSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673085718 547444523 /nfs/dbraw/zinc/44/45/23/547444523.db2.gz XNYIAZKHLTVFKQ-CQSZACIVSA-N 1 3 314.474 0.347 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000674329744 547581894 /nfs/dbraw/zinc/58/18/94/547581894.db2.gz MLQBTGORCTVMON-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000674329744 547581895 /nfs/dbraw/zinc/58/18/95/547581895.db2.gz MLQBTGORCTVMON-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000674329865 547582272 /nfs/dbraw/zinc/58/22/72/547582272.db2.gz RJAINKSYMGGNEG-ZDUSSCGKSA-N 1 3 310.442 0.633 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000674329865 547582277 /nfs/dbraw/zinc/58/22/77/547582277.db2.gz RJAINKSYMGGNEG-ZDUSSCGKSA-N 1 3 310.442 0.633 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000675192127 547668721 /nfs/dbraw/zinc/66/87/21/547668721.db2.gz ULKFLFRIQCHLHK-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCOc1ccc(C[NH2+]CCc2nnnn2C)cc1 ZINC000678499455 547980055 /nfs/dbraw/zinc/98/00/55/547980055.db2.gz LSJXGRCBJFJFJQ-UHFFFAOYSA-N 1 3 304.398 0.483 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)CCn1ccccc1=O ZINC000678719751 548000952 /nfs/dbraw/zinc/00/09/52/548000952.db2.gz MJUMGIALHQCRJY-UHFFFAOYSA-N 1 3 306.454 0.806 20 0 DCADHO C[N@H+](C[C@H](O)CN1CCCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000685561344 548722695 /nfs/dbraw/zinc/72/26/95/548722695.db2.gz WZJLLAHVJABXAN-DLBZAZTESA-N 1 3 311.470 0.628 20 0 DCADHO C[N@@H+](C[C@H](O)CN1CCCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000685561344 548722699 /nfs/dbraw/zinc/72/26/99/548722699.db2.gz WZJLLAHVJABXAN-DLBZAZTESA-N 1 3 311.470 0.628 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](CO)C1 ZINC000923199363 667474548 /nfs/dbraw/zinc/47/45/48/667474548.db2.gz QHZLOCZFWLLDFY-IHRRRGAJSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](CO)C1 ZINC000923199363 667474550 /nfs/dbraw/zinc/47/45/50/667474550.db2.gz QHZLOCZFWLLDFY-IHRRRGAJSA-N 1 3 300.447 0.329 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000977768789 660430955 /nfs/dbraw/zinc/43/09/55/660430955.db2.gz GRZPCQNNEPGEDW-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977768789 660430956 /nfs/dbraw/zinc/43/09/56/660430956.db2.gz GRZPCQNNEPGEDW-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978151308 660490762 /nfs/dbraw/zinc/49/07/62/660490762.db2.gz UNKKLXYVKQNBCH-JONQDZQNSA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000978151308 660490763 /nfs/dbraw/zinc/49/07/63/660490763.db2.gz UNKKLXYVKQNBCH-JONQDZQNSA-N 1 3 309.454 0.536 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680519 660611810 /nfs/dbraw/zinc/61/18/10/660611810.db2.gz GUBORYLWZMAGKZ-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680519 660611811 /nfs/dbraw/zinc/61/18/11/660611811.db2.gz GUBORYLWZMAGKZ-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cn1 ZINC000979070856 660657757 /nfs/dbraw/zinc/65/77/57/660657757.db2.gz LQUFJCKOZHUJHG-YHUYYLMFSA-N 1 3 317.437 0.166 20 0 DCADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cn1 ZINC000979070856 660657760 /nfs/dbraw/zinc/65/77/60/660657760.db2.gz LQUFJCKOZHUJHG-YHUYYLMFSA-N 1 3 317.437 0.166 20 0 DCADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NCc1nnc2n1CCNC2=O ZINC000925765189 660821514 /nfs/dbraw/zinc/82/15/14/660821514.db2.gz KOYCWCFALMSPQC-UYVFGJEYSA-N 1 3 304.398 0.017 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980232526 660897068 /nfs/dbraw/zinc/89/70/68/660897068.db2.gz QAGXPVBPSVQVEQ-MGPQQGTHSA-N 1 3 306.410 0.470 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC000980232526 660897070 /nfs/dbraw/zinc/89/70/70/660897070.db2.gz QAGXPVBPSVQVEQ-MGPQQGTHSA-N 1 3 306.410 0.470 20 0 DCADHO C[C@@H](O)CN1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964801 660988819 /nfs/dbraw/zinc/98/88/19/660988819.db2.gz PBVWHYAWIIQSEM-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2nccn2C)CN1C(=O)CN1CCCC1 ZINC000980802365 661014134 /nfs/dbraw/zinc/01/41/34/661014134.db2.gz YJTJSQOLBUWCAA-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCC[C@H]2CNCCS2(=O)=O)C1 ZINC000925789656 661070750 /nfs/dbraw/zinc/07/07/50/661070750.db2.gz WJONSWRTQTUTJD-UPJWGTAASA-N 1 3 303.472 0.259 20 0 DCADHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)C1 ZINC000925789656 661070751 /nfs/dbraw/zinc/07/07/51/661070751.db2.gz WJONSWRTQTUTJD-UPJWGTAASA-N 1 3 303.472 0.259 20 0 DCADHO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCN(CCCF)CC1 ZINC000981211029 661103978 /nfs/dbraw/zinc/10/39/78/661103978.db2.gz ZFZUODCAPPMCRY-CABCVRRESA-N 1 3 313.417 0.744 20 0 DCADHO O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCN(CCCF)CC1 ZINC000981211029 661103979 /nfs/dbraw/zinc/10/39/79/661103979.db2.gz ZFZUODCAPPMCRY-CABCVRRESA-N 1 3 313.417 0.744 20 0 DCADHO CC(C)[NH2+]C1(CO)CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000917545440 665136091 /nfs/dbraw/zinc/13/60/91/665136091.db2.gz UHYIXGOLGZXFCG-UHFFFAOYSA-N 1 3 321.487 0.093 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCN(C[C@H](C)O)CC2)C1 ZINC000981323909 661134283 /nfs/dbraw/zinc/13/42/83/661134283.db2.gz ABUFEAWMMOHNNC-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCN(C[C@H](C)O)CC2)C1 ZINC000981323909 661134284 /nfs/dbraw/zinc/13/42/84/661134284.db2.gz ABUFEAWMMOHNNC-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000998167498 665409288 /nfs/dbraw/zinc/40/92/88/665409288.db2.gz FKLINZCMPUVPGS-YDHLFZDLSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000998167498 665409291 /nfs/dbraw/zinc/40/92/91/665409291.db2.gz FKLINZCMPUVPGS-YDHLFZDLSA-N 1 3 324.469 0.384 20 0 DCADHO Cn1ccnc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998270559 665427583 /nfs/dbraw/zinc/42/75/83/665427583.db2.gz UWOYRTKUEQJKAE-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC000970385317 657462086 /nfs/dbraw/zinc/46/20/86/657462086.db2.gz LRYDBPLGILHHKM-CABCVRRESA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001023128527 657539473 /nfs/dbraw/zinc/53/94/73/657539473.db2.gz ILCKFIJRHACMJD-XGUBFFRZSA-N 1 3 322.453 0.328 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001023131039 657541739 /nfs/dbraw/zinc/54/17/39/657541739.db2.gz ULQVHPDOJJQDNB-LJISPDSOSA-N 1 3 322.453 0.376 20 0 DCADHO O=C(N1CC[C@@H](N[C@H]2CCCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969198108 657555844 /nfs/dbraw/zinc/55/58/44/657555844.db2.gz ZFFQPVYZZBDLRD-KGLIPLIRSA-N 1 3 320.437 0.084 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1)N(C)C ZINC000971777986 657666167 /nfs/dbraw/zinc/66/61/67/657666167.db2.gz JNEKSLJJSOADTB-LSDHHAIUSA-N 1 3 307.442 0.756 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1)N(C)C ZINC000971777986 657666169 /nfs/dbraw/zinc/66/61/69/657666169.db2.gz JNEKSLJJSOADTB-LSDHHAIUSA-N 1 3 307.442 0.756 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000969403573 657811500 /nfs/dbraw/zinc/81/15/00/657811500.db2.gz MEBWRAIGUWGDOQ-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000969403732 657811767 /nfs/dbraw/zinc/81/17/67/657811767.db2.gz PUGWADCNTWVTCS-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC000970796742 657914157 /nfs/dbraw/zinc/91/41/57/657914157.db2.gz UBDAUIRKAPEMBI-DZGCQCFKSA-N 1 3 305.422 0.933 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001020588833 658159639 /nfs/dbraw/zinc/15/96/39/658159639.db2.gz NUUYMWKDFJIVPY-KKUMJFAQSA-N 1 3 319.453 0.541 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892079787 658167402 /nfs/dbraw/zinc/16/74/02/658167402.db2.gz ZYZIJSSVWGTTIB-GOEBONIOSA-N 1 3 323.485 0.406 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1)[NH+](C)C ZINC000969846618 658203463 /nfs/dbraw/zinc/20/34/63/658203463.db2.gz ZOWBWVQTVNCVEW-HUUCEWRRSA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972674304 658223392 /nfs/dbraw/zinc/22/33/92/658223392.db2.gz NUFGLIFDKMDDFR-NVXWUHKLSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972674304 658223400 /nfs/dbraw/zinc/22/34/00/658223400.db2.gz NUFGLIFDKMDDFR-NVXWUHKLSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@@H](O)CN1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969946626 658283914 /nfs/dbraw/zinc/28/39/14/658283914.db2.gz CPHCGGABIWYSDT-ZIAGYGMSSA-N 1 3 309.454 0.680 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC001022716773 658373062 /nfs/dbraw/zinc/37/30/62/658373062.db2.gz HZISPGCDYOSNJN-YYWXWVFPSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001022716773 658373073 /nfs/dbraw/zinc/37/30/73/658373073.db2.gz HZISPGCDYOSNJN-YYWXWVFPSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)n[nH]1 ZINC000970178201 658701138 /nfs/dbraw/zinc/70/11/38/658701138.db2.gz NSJKBXUKDFCFFH-CQSZACIVSA-N 1 3 320.441 0.536 20 0 DCADHO CC[NH+](CC)CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891413657 658715096 /nfs/dbraw/zinc/71/50/96/658715096.db2.gz ZUBICAPMZIXMKO-LSDHHAIUSA-N 1 3 312.458 0.569 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001021047689 658726732 /nfs/dbraw/zinc/72/67/32/658726732.db2.gz LNSPMPWOSPKFFK-IHRRRGAJSA-N 1 3 318.421 0.779 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001021047689 658726736 /nfs/dbraw/zinc/72/67/36/658726736.db2.gz LNSPMPWOSPKFFK-IHRRRGAJSA-N 1 3 318.421 0.779 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001021089423 658750941 /nfs/dbraw/zinc/75/09/41/658750941.db2.gz CHNXEKVLSGWUTC-RCBQFDQVSA-N 1 3 305.422 0.979 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1)C(N)=O ZINC000970270085 658796318 /nfs/dbraw/zinc/79/63/18/658796318.db2.gz HFMBTADCCWPSEI-IUODEOHRSA-N 1 3 318.421 0.426 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000999353422 665634519 /nfs/dbraw/zinc/63/45/19/665634519.db2.gz MNKKYJLQQDNLNG-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC000999362618 665636419 /nfs/dbraw/zinc/63/64/19/665636419.db2.gz BFOOYEOXFRONQQ-GOEBONIOSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC000999363104 665636995 /nfs/dbraw/zinc/63/69/95/665636995.db2.gz FSOZNCUMZNWCCJ-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC000999366380 665637331 /nfs/dbraw/zinc/63/73/31/665637331.db2.gz XNPASIVWARAPJA-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1)C1CC1 ZINC000999372213 665638689 /nfs/dbraw/zinc/63/86/89/665638689.db2.gz OMZVIWJGYYHJFX-JKSUJKDBSA-N 1 3 319.453 0.804 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC001027215011 659084728 /nfs/dbraw/zinc/08/47/28/659084728.db2.gz BDQSJJVCDBMCHD-LSDHHAIUSA-N 1 3 319.453 0.618 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001027215011 659084735 /nfs/dbraw/zinc/08/47/35/659084735.db2.gz BDQSJJVCDBMCHD-LSDHHAIUSA-N 1 3 319.453 0.618 20 0 DCADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027215640 659085799 /nfs/dbraw/zinc/08/57/99/659085799.db2.gz KSHDXLAWJLUFHE-KBPBESRZSA-N 1 3 320.441 0.188 20 0 DCADHO CCn1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027215640 659085806 /nfs/dbraw/zinc/08/58/06/659085806.db2.gz KSHDXLAWJLUFHE-KBPBESRZSA-N 1 3 320.441 0.188 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027216063 659086650 /nfs/dbraw/zinc/08/66/50/659086650.db2.gz QQLHFCRLRDQRCI-NEPJUHHUSA-N 1 3 309.439 0.428 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027216063 659086656 /nfs/dbraw/zinc/08/66/56/659086656.db2.gz QQLHFCRLRDQRCI-NEPJUHHUSA-N 1 3 309.439 0.428 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001027217309 659090038 /nfs/dbraw/zinc/09/00/38/659090038.db2.gz IDJWXXVTGJGBSX-CQSZACIVSA-N 1 3 305.426 0.454 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC000999481126 665649855 /nfs/dbraw/zinc/64/98/55/665649855.db2.gz BAMMOXAIAPYSBR-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892819234 659471125 /nfs/dbraw/zinc/47/11/25/659471125.db2.gz PHLFJNKRGZJPHQ-HUUCEWRRSA-N 1 3 324.469 0.881 20 0 DCADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892819234 659471128 /nfs/dbraw/zinc/47/11/28/659471128.db2.gz PHLFJNKRGZJPHQ-HUUCEWRRSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1)C1CC1 ZINC001026886948 659627013 /nfs/dbraw/zinc/62/70/13/659627013.db2.gz IKGKMZWMOOHUQD-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001026901376 659630300 /nfs/dbraw/zinc/63/03/00/659630300.db2.gz NYRBIWJCETUPCU-HIFRSBDPSA-N 1 3 322.457 0.339 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000999849674 665691890 /nfs/dbraw/zinc/69/18/90/665691890.db2.gz UTLFXLBINONLOG-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001027062732 659758836 /nfs/dbraw/zinc/75/88/36/659758836.db2.gz ATNLWHWSDNWJBS-QWHCGFSZSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001027062732 659758840 /nfs/dbraw/zinc/75/88/40/659758840.db2.gz ATNLWHWSDNWJBS-QWHCGFSZSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001026043351 659758976 /nfs/dbraw/zinc/75/89/76/659758976.db2.gz LTCDPPJTAQBQJG-NMNMXBMNSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001026043351 659758980 /nfs/dbraw/zinc/75/89/80/659758980.db2.gz LTCDPPJTAQBQJG-NMNMXBMNSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3nncn3C)C2)C1 ZINC001027065032 659761678 /nfs/dbraw/zinc/76/16/78/659761678.db2.gz PDIMNYWJYFANCW-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3nncn3C)C2)C1 ZINC001027065032 659761681 /nfs/dbraw/zinc/76/16/81/659761681.db2.gz PDIMNYWJYFANCW-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001026089144 659775091 /nfs/dbraw/zinc/77/50/91/659775091.db2.gz ISPICHXNBBAMKP-OWYFMNJBSA-N 1 3 309.454 0.677 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001026089144 659775094 /nfs/dbraw/zinc/77/50/94/659775094.db2.gz ISPICHXNBBAMKP-OWYFMNJBSA-N 1 3 309.454 0.677 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001026088792 659775794 /nfs/dbraw/zinc/77/57/94/659775794.db2.gz VKDMICZKBNBIRY-SUJAAXHWSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001026088792 659775796 /nfs/dbraw/zinc/77/57/96/659775796.db2.gz VKDMICZKBNBIRY-SUJAAXHWSA-N 1 3 309.454 0.678 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001027090985 659797249 /nfs/dbraw/zinc/79/72/49/659797249.db2.gz BGFMXCJYLOWUMQ-ZDUSSCGKSA-N 1 3 314.393 0.689 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295898 661343181 /nfs/dbraw/zinc/34/31/81/661343181.db2.gz FPSQOBVMHONXGS-UNQWWWNPSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295898 661343183 /nfs/dbraw/zinc/34/31/83/661343183.db2.gz FPSQOBVMHONXGS-UNQWWWNPSA-N 1 3 323.481 0.878 20 0 DCADHO CS(=O)(=O)C[C@H](O)CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925861834 661349920 /nfs/dbraw/zinc/34/99/20/661349920.db2.gz UBWUCDDELMQRGW-KGLIPLIRSA-N 1 3 300.424 0.462 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](NCc3cnnn3C)C2)C1 ZINC001000193499 665769510 /nfs/dbraw/zinc/76/95/10/665769510.db2.gz QMBCAZUXZNNIST-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NCc3cnnn3C)C2)C1 ZINC001000193499 665769512 /nfs/dbraw/zinc/76/95/12/665769512.db2.gz QMBCAZUXZNNIST-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cnc[nH]2)c1 ZINC000894222452 661684041 /nfs/dbraw/zinc/68/40/41/661684041.db2.gz TVNFWNDMXZXULH-UHFFFAOYSA-N 1 3 301.394 0.991 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001000314916 665821468 /nfs/dbraw/zinc/82/14/68/665821468.db2.gz ZZIPLIJEPOHACI-ZDUSSCGKSA-N 1 3 319.409 0.155 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896565421 662292049 /nfs/dbraw/zinc/29/20/49/662292049.db2.gz UWAAYSNIFBTHOT-ZFWWWQNUSA-N 1 3 307.442 0.722 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896565421 662292051 /nfs/dbraw/zinc/29/20/51/662292051.db2.gz UWAAYSNIFBTHOT-ZFWWWQNUSA-N 1 3 307.442 0.722 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000984798872 662315836 /nfs/dbraw/zinc/31/58/36/662315836.db2.gz DAHWMGRZGGECHV-QKPAOTATSA-N 1 3 309.454 0.992 20 0 DCADHO C[NH+]1CCC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3CCCO)CC1 ZINC001029504051 662346684 /nfs/dbraw/zinc/34/66/84/662346684.db2.gz WPADVPVAVXGCJN-IYBDPMFKSA-N 1 3 309.454 0.776 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000985120271 662368705 /nfs/dbraw/zinc/36/87/05/662368705.db2.gz PTOILDFYWNBGBL-MGPQQGTHSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000985120271 662368707 /nfs/dbraw/zinc/36/87/07/662368707.db2.gz PTOILDFYWNBGBL-MGPQQGTHSA-N 1 3 305.426 0.356 20 0 DCADHO Cc1nnsc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000985120857 662370252 /nfs/dbraw/zinc/37/02/52/662370252.db2.gz ZGKNQTAJVCEDLU-JHJVBQTASA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000985120857 662370254 /nfs/dbraw/zinc/37/02/54/662370254.db2.gz ZGKNQTAJVCEDLU-JHJVBQTASA-N 1 3 323.466 0.783 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985466590 662459905 /nfs/dbraw/zinc/45/99/05/662459905.db2.gz AEWRMLKYCMDFEB-BXUZGUMPSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985466590 662459906 /nfs/dbraw/zinc/45/99/06/662459906.db2.gz AEWRMLKYCMDFEB-BXUZGUMPSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985470192 662463738 /nfs/dbraw/zinc/46/37/38/662463738.db2.gz NNKHBUJKIQCUBA-GFCCVEGCSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985470192 662463740 /nfs/dbraw/zinc/46/37/40/662463740.db2.gz NNKHBUJKIQCUBA-GFCCVEGCSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000985482379 662465568 /nfs/dbraw/zinc/46/55/68/662465568.db2.gz REPYBMUQBVOTTB-JSGCOSHPSA-N 1 3 312.458 0.369 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1)N(C)C ZINC000985492110 662466857 /nfs/dbraw/zinc/46/68/57/662466857.db2.gz KYQGGLYIFYHYKB-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1)N(C)C ZINC000985492110 662466859 /nfs/dbraw/zinc/46/68/59/662466859.db2.gz KYQGGLYIFYHYKB-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986824177 662622316 /nfs/dbraw/zinc/62/23/16/662622316.db2.gz KWJKIOAREYCURH-CJNGLKHVSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986831793 662623353 /nfs/dbraw/zinc/62/33/53/662623353.db2.gz VXNJIKCNGKGRCE-CJNGLKHVSA-N 1 3 319.453 0.841 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897551019 662899187 /nfs/dbraw/zinc/89/91/87/662899187.db2.gz BQUXKHMUKZXJAZ-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897551019 662899188 /nfs/dbraw/zinc/89/91/88/662899188.db2.gz BQUXKHMUKZXJAZ-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001000711640 665920385 /nfs/dbraw/zinc/92/03/85/665920385.db2.gz PDTAVECVEFEPSW-ZDUSSCGKSA-N 1 3 318.425 0.290 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000899991778 663207828 /nfs/dbraw/zinc/20/78/28/663207828.db2.gz ZLZBQNVICQYDOT-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000899991778 663207829 /nfs/dbraw/zinc/20/78/29/663207829.db2.gz ZLZBQNVICQYDOT-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000900240039 663227909 /nfs/dbraw/zinc/22/79/09/663227909.db2.gz JAIDZRDCQUUOFG-ZIAGYGMSSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000900240039 663227911 /nfs/dbraw/zinc/22/79/11/663227911.db2.gz JAIDZRDCQUUOFG-ZIAGYGMSSA-N 1 3 305.426 0.801 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000900667119 663268403 /nfs/dbraw/zinc/26/84/03/663268403.db2.gz MDHHQNQXMXRYTF-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000900667119 663268405 /nfs/dbraw/zinc/26/84/05/663268405.db2.gz MDHHQNQXMXRYTF-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000900667119 663268406 /nfs/dbraw/zinc/26/84/06/663268406.db2.gz MDHHQNQXMXRYTF-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000900667119 663268409 /nfs/dbraw/zinc/26/84/09/663268409.db2.gz MDHHQNQXMXRYTF-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CC1(C)C[NH2+]CC[C@@H](NCC[C@@H]2CNCCS2(=O)=O)C1 ZINC000902401959 663412382 /nfs/dbraw/zinc/41/23/82/663412382.db2.gz GHJGNPLNXJCPFD-CHWSQXEVSA-N 1 3 303.472 0.131 20 0 DCADHO COCc1noc(CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903456269 663455641 /nfs/dbraw/zinc/45/56/41/663455641.db2.gz DXOBFBRDNMISPH-OLZOCXBDSA-N 1 3 309.414 0.461 20 0 DCADHO CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@H]1[NH3+] ZINC000903737737 663478228 /nfs/dbraw/zinc/47/82/28/663478228.db2.gz DMLHKEBLVUDALF-UONOGXRCSA-N 1 3 322.453 0.269 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)C(C)C ZINC000903809348 663486222 /nfs/dbraw/zinc/48/62/22/663486222.db2.gz QWBJMHJOJCDORB-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](CCC(N)=O)C2)cnn1C ZINC000903888447 663490038 /nfs/dbraw/zinc/49/00/38/663490038.db2.gz CGECFPMOYZRMKJ-GJZGRUSLSA-N 1 3 321.469 0.823 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN[C@@H](C)[C@H](C)N2CCOCC2)cnn1C ZINC000903922768 663495973 /nfs/dbraw/zinc/49/59/73/663495973.db2.gz DNTGFNAFEKBJJB-OFQRWUPVSA-N 1 3 323.485 0.545 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903937143 663496976 /nfs/dbraw/zinc/49/69/76/663496976.db2.gz CHUJBFMBLSZTHZ-GFCCVEGCSA-N 1 3 318.412 0.775 20 0 DCADHO CC(=O)N1C[C@H]2CN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C[C@H]2C1 ZINC000903939817 663497817 /nfs/dbraw/zinc/49/78/17/663497817.db2.gz NLVOGINWFXVJEK-BHYGNILZSA-N 1 3 319.453 0.256 20 0 DCADHO C[C@@]1(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)CCC[NH2+]C1 ZINC000904305598 663507797 /nfs/dbraw/zinc/50/77/97/663507797.db2.gz QEZIKSDFBRYKBL-NVXWUHKLSA-N 1 3 309.454 0.947 20 0 DCADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905055189 663526265 /nfs/dbraw/zinc/52/62/65/663526265.db2.gz MWYXSDRULRVMMU-HOCLYGCPSA-N 1 3 300.443 0.741 20 0 DCADHO CC(C)CN1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905067438 663530025 /nfs/dbraw/zinc/53/00/25/663530025.db2.gz XVSKBWKKBFQMBF-CVEARBPZSA-N 1 3 300.443 0.599 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCCC1 ZINC001001008373 665974454 /nfs/dbraw/zinc/97/44/54/665974454.db2.gz PCGLFYCDZZLWDE-ZBFHGGJFSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905343148 663551224 /nfs/dbraw/zinc/55/12/24/663551224.db2.gz NWKBFBWBWWXENT-LSDHHAIUSA-N 1 3 315.483 0.732 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001000991560 665976740 /nfs/dbraw/zinc/97/67/40/665976740.db2.gz HTMXREDEZQMZLZ-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CN1CC[N@H+](C)CC(C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000905924556 663589606 /nfs/dbraw/zinc/58/96/06/663589606.db2.gz PYWZCERKQMIWBN-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000905924556 663589607 /nfs/dbraw/zinc/58/96/07/663589607.db2.gz PYWZCERKQMIWBN-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CC[N@H+](C)CC(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000906523694 663619857 /nfs/dbraw/zinc/61/98/57/663619857.db2.gz SOXSQBFRIKQNIN-UHFFFAOYSA-N 1 3 314.393 0.699 20 0 DCADHO CN1CC[N@@H+](C)CC(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000906523694 663619860 /nfs/dbraw/zinc/61/98/60/663619860.db2.gz SOXSQBFRIKQNIN-UHFFFAOYSA-N 1 3 314.393 0.699 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)N1CCCCC1 ZINC000910946668 663961549 /nfs/dbraw/zinc/96/15/49/663961549.db2.gz OTNGCDZEKGAQHD-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911053838 663972654 /nfs/dbraw/zinc/97/26/54/663972654.db2.gz CYSZHKVEZCDXRQ-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911056730 663973301 /nfs/dbraw/zinc/97/33/01/663973301.db2.gz ZTYXKWFALPKJHR-JJRVBVJISA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911030474 663974008 /nfs/dbraw/zinc/97/40/08/663974008.db2.gz XKTDTQQLPYLFQU-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911160972 663995258 /nfs/dbraw/zinc/99/52/58/663995258.db2.gz IAQQTXROFGMRSU-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911161557 663995634 /nfs/dbraw/zinc/99/56/34/663995634.db2.gz LVKVYKCRYYWLFV-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)C[C@H]1CC[NH3+] ZINC000911162517 663996184 /nfs/dbraw/zinc/99/61/84/663996184.db2.gz SRHFTKHJHDSXEB-HUUCEWRRSA-N 1 3 324.469 0.278 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000911299242 664021937 /nfs/dbraw/zinc/02/19/37/664021937.db2.gz SNZATZKGJYYVJF-KRWDZBQOSA-N 1 3 324.469 0.340 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000911309512 664025361 /nfs/dbraw/zinc/02/53/61/664025361.db2.gz FFUBWBHGBDHCMY-OLZOCXBDSA-N 1 3 310.442 0.078 20 0 DCADHO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC000911324360 664027807 /nfs/dbraw/zinc/02/78/07/664027807.db2.gz BESSYWRLQKUIFF-HZSPNIEDSA-N 1 3 322.453 0.315 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911529684 664069072 /nfs/dbraw/zinc/06/90/72/664069072.db2.gz FVETXMXRPFVBPX-CYBMUJFWSA-N 1 3 310.442 0.032 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000911529686 664069184 /nfs/dbraw/zinc/06/91/84/664069184.db2.gz FVETXMXRPFVBPX-ZDUSSCGKSA-N 1 3 310.442 0.032 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911531449 664070209 /nfs/dbraw/zinc/07/02/09/664070209.db2.gz HEADDTXTKSVZMR-LBPRGKRZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911533185 664070525 /nfs/dbraw/zinc/07/05/25/664070525.db2.gz NNDQWUNTIGMVFM-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911534323 664070552 /nfs/dbraw/zinc/07/05/52/664070552.db2.gz UQUUVLUUTGPQFS-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911533184 664070698 /nfs/dbraw/zinc/07/06/98/664070698.db2.gz NNDQWUNTIGMVFM-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000911544166 664075553 /nfs/dbraw/zinc/07/55/53/664075553.db2.gz GZUGUCYFLTVNGE-LSDHHAIUSA-N 1 3 324.469 0.687 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000911544166 664075554 /nfs/dbraw/zinc/07/55/54/664075554.db2.gz GZUGUCYFLTVNGE-LSDHHAIUSA-N 1 3 324.469 0.687 20 0 DCADHO N[C@H]1CCc2cc(C(=O)N[C@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000911674309 664099478 /nfs/dbraw/zinc/09/94/78/664099478.db2.gz SSWYIDZNVXKMIJ-STQMWFEESA-N 1 3 302.378 0.380 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991479768 664361647 /nfs/dbraw/zinc/36/16/47/664361647.db2.gz PRKDLUITKXUYOO-GJZGRUSLSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000991479768 664361651 /nfs/dbraw/zinc/36/16/51/664361651.db2.gz PRKDLUITKXUYOO-GJZGRUSLSA-N 1 3 324.469 0.526 20 0 DCADHO O=C(CCCC(=O)NC12CC[NH+](CC1)C2)NC12CCN(CC1)C2 ZINC000913629778 664708401 /nfs/dbraw/zinc/70/84/01/664708401.db2.gz MGXSHPPMKXPOQM-UHFFFAOYSA-N 1 3 320.437 0.086 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccnn1CC[NH+](C)C ZINC000913815860 664724734 /nfs/dbraw/zinc/72/47/34/664724734.db2.gz SUGPMXKOQCKVDY-UONOGXRCSA-N 1 3 305.426 0.753 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)CCC1 ZINC000992722890 664761283 /nfs/dbraw/zinc/76/12/83/664761283.db2.gz SQVPHSCWWOWUDL-RRFJBIMHSA-N 1 3 309.454 0.680 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000732889590 664970419 /nfs/dbraw/zinc/97/04/19/664970419.db2.gz AZFQEODKXGPXAX-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000732889590 664970421 /nfs/dbraw/zinc/97/04/21/664970421.db2.gz AZFQEODKXGPXAX-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000733040192 665051541 /nfs/dbraw/zinc/05/15/41/665051541.db2.gz HGDHOGQCOAEZNE-HUUCEWRRSA-N 1 3 310.442 0.587 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[N@@H+]1C ZINC000925334454 665288583 /nfs/dbraw/zinc/28/85/83/665288583.db2.gz KIHXTOLKHDQTCT-SQWLQELKSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC[N@H+]1C ZINC000925334454 665288585 /nfs/dbraw/zinc/28/85/85/665288585.db2.gz KIHXTOLKHDQTCT-SQWLQELKSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730325 665360446 /nfs/dbraw/zinc/36/04/46/665360446.db2.gz KCXMHYDRSUVCBG-BBRMVZONSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730325 665360448 /nfs/dbraw/zinc/36/04/48/665360448.db2.gz KCXMHYDRSUVCBG-BBRMVZONSA-N 1 3 309.454 0.822 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001001252004 666023252 /nfs/dbraw/zinc/02/32/52/666023252.db2.gz JDZMXPUTIRXUJT-JKSUJKDBSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001001252004 666023254 /nfs/dbraw/zinc/02/32/54/666023254.db2.gz JDZMXPUTIRXUJT-JKSUJKDBSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031979560 666078763 /nfs/dbraw/zinc/07/87/63/666078763.db2.gz ZKXVJKVRJVDOEH-AWEZNQCLSA-N 1 3 319.449 0.833 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)C1 ZINC001002121997 666134079 /nfs/dbraw/zinc/13/40/79/666134079.db2.gz XBILLPRIVTWWQW-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN([C@H]3CCCNC3=O)CC2)C1 ZINC001002121997 666134080 /nfs/dbraw/zinc/13/40/80/666134080.db2.gz XBILLPRIVTWWQW-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](O)CN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016333900 666224583 /nfs/dbraw/zinc/22/45/83/666224583.db2.gz ZUIJFQATDVGOCB-CZUORRHYSA-N 1 3 305.422 0.933 20 0 DCADHO O=C(NC1CCN(CCO)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001003016542 666262159 /nfs/dbraw/zinc/26/21/59/666262159.db2.gz MOFUDWVWZFJRHG-INIZCTEOSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NC1CCN(CCO)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001003016542 666262160 /nfs/dbraw/zinc/26/21/60/666262160.db2.gz MOFUDWVWZFJRHG-INIZCTEOSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003625512 666335692 /nfs/dbraw/zinc/33/56/92/666335692.db2.gz HJOSEGCCOZKUJH-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001003969782 666418330 /nfs/dbraw/zinc/41/83/30/666418330.db2.gz CCXKIZXIXWYAOI-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001003969782 666418331 /nfs/dbraw/zinc/41/83/31/666418331.db2.gz CCXKIZXIXWYAOI-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]([NH2+][C@@H]3CCNC3=O)C(C)(C)C2)CCC1 ZINC000995887405 666719497 /nfs/dbraw/zinc/71/94/97/666719497.db2.gz OTHFMCVGYMXRJD-OLZOCXBDSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C)C(N)=O ZINC000995915723 666721990 /nfs/dbraw/zinc/72/19/90/666721990.db2.gz GMHCRXNJBONNCV-ZIAGYGMSSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996004400 666729820 /nfs/dbraw/zinc/72/98/20/666729820.db2.gz MZAVEBFVJDEURR-KBPBESRZSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996004400 666729822 /nfs/dbraw/zinc/72/98/22/666729822.db2.gz MZAVEBFVJDEURR-KBPBESRZSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)(C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCC1 ZINC000996136561 666743964 /nfs/dbraw/zinc/74/39/64/666743964.db2.gz PMQBPXAIBCIWAZ-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1)C1CCC1 ZINC000996664766 666853519 /nfs/dbraw/zinc/85/35/19/666853519.db2.gz IUSMHIALDWDTEX-UHFFFAOYSA-N 1 3 320.441 0.380 20 0 DCADHO Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)n1 ZINC000996730452 666882044 /nfs/dbraw/zinc/88/20/44/666882044.db2.gz TVERCJILOMVCSS-MRXNPFEDSA-N 1 3 319.453 0.985 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000996822288 666932401 /nfs/dbraw/zinc/93/24/01/666932401.db2.gz LTEPGQLOFDVJGO-BFHRDPOASA-N 1 3 319.449 0.840 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000861730215 666968143 /nfs/dbraw/zinc/96/81/43/666968143.db2.gz OKUMJPQBTZTODW-UKRRQHHQSA-N 1 3 320.437 0.081 20 0 DCADHO CC[C@@H](C(=O)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001034570451 667074827 /nfs/dbraw/zinc/07/48/27/667074827.db2.gz XVSGJLGXCONPSK-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034643475 667088887 /nfs/dbraw/zinc/08/88/87/667088887.db2.gz WCLJCUXRMUHYNZ-KBUPBQIOSA-N 1 3 324.469 0.750 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1)C(N)=O ZINC001034786688 667145242 /nfs/dbraw/zinc/14/52/42/667145242.db2.gz RDYIGMKQNJHNQM-AVGNSLFASA-N 1 3 321.425 0.542 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCN1C ZINC000925341107 667152659 /nfs/dbraw/zinc/15/26/59/667152659.db2.gz FKFUDJGQMVRONV-QLFBSQMISA-N 1 3 312.458 0.831 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C)N(C)C ZINC001034975246 667202376 /nfs/dbraw/zinc/20/23/76/667202376.db2.gz PCMVWGJSCVTUTA-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC001035014528 667215656 /nfs/dbraw/zinc/21/56/56/667215656.db2.gz WYQVGPBGDMGUKZ-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997191972 667217131 /nfs/dbraw/zinc/21/71/31/667217131.db2.gz IAOXSYCKFSQWBG-UHFFFAOYSA-N 1 3 317.437 0.597 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001035123582 667251203 /nfs/dbraw/zinc/25/12/03/667251203.db2.gz PZEMZVUPAWOIPJ-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001035123582 667251205 /nfs/dbraw/zinc/25/12/05/667251205.db2.gz PZEMZVUPAWOIPJ-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO CCCn1cc(CN[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000865460113 667327130 /nfs/dbraw/zinc/32/71/30/667327130.db2.gz FXFIWYHOZALTHV-CQSZACIVSA-N 1 3 306.458 0.946 20 0 DCADHO CCCn1cc(CN[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000865460113 667327133 /nfs/dbraw/zinc/32/71/33/667327133.db2.gz FXFIWYHOZALTHV-CQSZACIVSA-N 1 3 306.458 0.946 20 0 DCADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035732697 667405232 /nfs/dbraw/zinc/40/52/32/667405232.db2.gz FSJNCIIKSABJIC-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035732697 667405234 /nfs/dbraw/zinc/40/52/34/667405234.db2.gz FSJNCIIKSABJIC-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](C[C@H](C)O)C2)CC1)N(C)C ZINC001035786636 667409704 /nfs/dbraw/zinc/40/97/04/667409704.db2.gz BGIPAPXMFIYZJI-LSDHHAIUSA-N 1 3 311.470 0.878 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035857363 667414827 /nfs/dbraw/zinc/41/48/27/667414827.db2.gz MLLWURXVUXMPRQ-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035857363 667414828 /nfs/dbraw/zinc/41/48/28/667414828.db2.gz MLLWURXVUXMPRQ-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC000923411927 667529539 /nfs/dbraw/zinc/52/95/39/667529539.db2.gz TXOHCWHZNDLCHR-CVEARBPZSA-N 1 3 301.394 0.587 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC000923411927 667529541 /nfs/dbraw/zinc/52/95/41/667529541.db2.gz TXOHCWHZNDLCHR-CVEARBPZSA-N 1 3 301.394 0.587 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923496101 667545723 /nfs/dbraw/zinc/54/57/23/667545723.db2.gz GOKFTDGIKQHUHK-VHDGCEQUSA-N 1 3 310.442 0.030 20 0 DCADHO CC(=O)Nc1ccc(OC[C@@H](O)CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923514973 667551876 /nfs/dbraw/zinc/55/18/76/667551876.db2.gz LXNWKPJCACVBBH-XPKDYRNWSA-N 1 3 321.421 0.911 20 0 DCADHO COC(=O)CCN1CCC[C@@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518370 667552553 /nfs/dbraw/zinc/55/25/53/667552553.db2.gz DQKBVUZNFYGSCG-BFHYXJOUSA-N 1 3 309.410 0.082 20 0 DCADHO COc1ccccc1[C@@H](N)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923561948 667564523 /nfs/dbraw/zinc/56/45/23/667564523.db2.gz AZNWDKSJSUETPY-YPMHNXCESA-N 1 3 313.423 0.366 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868407071 667567979 /nfs/dbraw/zinc/56/79/79/667567979.db2.gz RRTJRWWLGABZJW-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C(=O)C(=O)NCCN1CCC[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000884576170 667569548 /nfs/dbraw/zinc/56/95/48/667569548.db2.gz BIJKHFDXPXCWHC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884576112 667569620 /nfs/dbraw/zinc/56/96/20/667569620.db2.gz ACQJZXVUZKXAPX-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CCC1(C)C ZINC000884715968 667597922 /nfs/dbraw/zinc/59/79/22/667597922.db2.gz JFUQIVABMFIXAI-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884720512 667599380 /nfs/dbraw/zinc/59/93/80/667599380.db2.gz OLTMMNOZDSDDHS-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000884775407 667605312 /nfs/dbraw/zinc/60/53/12/667605312.db2.gz CZJYUNSEBWFLNY-RDBSUJKOSA-N 1 3 308.426 0.069 20 0 DCADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884776407 667605649 /nfs/dbraw/zinc/60/56/49/667605649.db2.gz ROFRGZGIYYSTSO-LJISPDSOSA-N 1 3 320.437 0.082 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966538 667629040 /nfs/dbraw/zinc/62/90/40/667629040.db2.gz MZBJSNMRIIVRND-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923610483 667655981 /nfs/dbraw/zinc/65/59/81/667655981.db2.gz GGVPPLPYTUHJBY-UONOGXRCSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923610483 667655982 /nfs/dbraw/zinc/65/59/82/667655982.db2.gz GGVPPLPYTUHJBY-UONOGXRCSA-N 1 3 315.483 0.874 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)n1 ZINC000869776764 667680964 /nfs/dbraw/zinc/68/09/64/667680964.db2.gz USIYFZMKADIDGL-ZDUSSCGKSA-N 1 3 323.441 0.020 20 0 DCADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)N1CCNCC1 ZINC000923623378 667763473 /nfs/dbraw/zinc/76/34/73/667763473.db2.gz BDSIHXKDSPSUQV-MGPQQGTHSA-N 1 3 318.487 0.092 20 0 DCADHO CC(C)N1CCC([NH2+]CC2(S(=O)(=O)N(C)C)CC2)CC1 ZINC000886732370 667792765 /nfs/dbraw/zinc/79/27/65/667792765.db2.gz CUNRTBMTKWDFPP-UHFFFAOYSA-N 1 3 303.472 0.873 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCCCCC[NH3+] ZINC000872154877 667870354 /nfs/dbraw/zinc/87/03/54/667870354.db2.gz DCPVQUNURNPVAZ-KBPBESRZSA-N 1 3 312.458 0.550 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000887931965 667931770 /nfs/dbraw/zinc/93/17/70/667931770.db2.gz PEAYQEUGLXOLCH-DOTOQJQBSA-N 1 3 308.470 0.424 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000887931965 667931773 /nfs/dbraw/zinc/93/17/73/667931773.db2.gz PEAYQEUGLXOLCH-DOTOQJQBSA-N 1 3 308.470 0.424 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925556774 668329632 /nfs/dbraw/zinc/32/96/32/668329632.db2.gz LENGNQJUBNDBME-HUUCEWRRSA-N 1 3 308.470 0.803 20 0 DCADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000925606514 668335705 /nfs/dbraw/zinc/33/57/05/668335705.db2.gz KJYSYPQISDGWBD-JHJVBQTASA-N 1 3 303.472 0.906 20 0 DCADHO [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2NCc1nnnn1-c1ccccc1 ZINC000925711310 668342135 /nfs/dbraw/zinc/34/21/35/668342135.db2.gz ZUGNDNMYZUFSRD-HUZYZPTCSA-N 1 3 314.393 0.504 20 0 DCADHO C[C@H](NCCN1Cc2ccccc2OCC1=O)[C@H]1CC[NH2+]C1 ZINC000925806033 668351245 /nfs/dbraw/zinc/35/12/45/668351245.db2.gz NUCWYOLEMCRRPN-KBPBESRZSA-N 1 3 303.406 0.995 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876738929 668499358 /nfs/dbraw/zinc/49/93/58/668499358.db2.gz AOIOGRHPTQIHRD-OAGGEKHMSA-N 1 3 310.486 0.988 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876738929 668499359 /nfs/dbraw/zinc/49/93/59/668499359.db2.gz AOIOGRHPTQIHRD-OAGGEKHMSA-N 1 3 310.486 0.988 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876767489 668506268 /nfs/dbraw/zinc/50/62/68/668506268.db2.gz KNVPDXUMXYORAA-BHYGNILZSA-N 1 3 318.465 0.902 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876767489 668506270 /nfs/dbraw/zinc/50/62/70/668506270.db2.gz KNVPDXUMXYORAA-BHYGNILZSA-N 1 3 318.465 0.902 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)c2ccccc2O1 ZINC000876778600 668508638 /nfs/dbraw/zinc/50/86/38/668508638.db2.gz JGFWVYOIWYCFRU-STQMWFEESA-N 1 3 306.410 0.231 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876776222 668509060 /nfs/dbraw/zinc/50/90/60/668509060.db2.gz ADNZHAGWEXQUIT-STQMWFEESA-N 1 3 319.396 0.832 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876782848 668510318 /nfs/dbraw/zinc/51/03/18/668510318.db2.gz WCGGZQOPWHLGHM-KGVXHEBISA-N 1 3 322.497 0.932 20 0 DCADHO C[NH2+]CCOCCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000877025321 668554512 /nfs/dbraw/zinc/55/45/12/668554512.db2.gz HRMLZHWGZSVJCH-GFCCVEGCSA-N 1 3 314.817 0.786 20 0 DCADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CC(F)F ZINC000877132390 668565662 /nfs/dbraw/zinc/56/56/62/668565662.db2.gz CBZJHCQUEVVREN-LBPRGKRZSA-N 1 3 307.385 0.786 20 0 DCADHO O=C(COC1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2CN1 ZINC000877340246 668604909 /nfs/dbraw/zinc/60/49/09/668604909.db2.gz HRGQEGXBHYJAOS-OAHLLOKOSA-N 1 3 303.406 0.586 20 0 DCADHO COC[C@]1(C(=O)NC[C@H]2Cc3ccccc3CN2)CC[NH2+]C1 ZINC000877341871 668605287 /nfs/dbraw/zinc/60/52/87/668605287.db2.gz XCPPWXBEVHMVPS-WBVHZDCISA-N 1 3 303.406 0.443 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000877450495 668620012 /nfs/dbraw/zinc/62/00/12/668620012.db2.gz CQKAAGSVURKECN-AEGPPILISA-N 1 3 318.425 0.511 20 0 DCADHO C[NH+]1CCC(NC(=O)CNC2(CO)Cc3ccccc3C2)CC1 ZINC000878106620 668683753 /nfs/dbraw/zinc/68/37/53/668683753.db2.gz OPZUWHYSXCWAPT-UHFFFAOYSA-N 1 3 317.433 0.316 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000881623092 669357513 /nfs/dbraw/zinc/35/75/13/669357513.db2.gz UHGRAZDMQSZBKB-AWEZNQCLSA-N 1 3 322.453 0.271 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000881623092 669357515 /nfs/dbraw/zinc/35/75/15/669357515.db2.gz UHGRAZDMQSZBKB-AWEZNQCLSA-N 1 3 322.453 0.271 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788484213 669443067 /nfs/dbraw/zinc/44/30/67/669443067.db2.gz XOBXICOCLPLGJA-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933853153 669542157 /nfs/dbraw/zinc/54/21/57/669542157.db2.gz INKXOCJGGWHEIL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933853153 669542163 /nfs/dbraw/zinc/54/21/63/669542163.db2.gz INKXOCJGGWHEIL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000883417400 669683067 /nfs/dbraw/zinc/68/30/67/669683067.db2.gz YXTWOCRCJLZHDK-MRXNPFEDSA-N 1 3 311.470 0.799 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883447688 669689506 /nfs/dbraw/zinc/68/95/06/669689506.db2.gz IPKHQIJOFNZIBM-KBPBESRZSA-N 1 3 312.433 0.492 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)N1CCCCC1 ZINC000793694719 669734713 /nfs/dbraw/zinc/73/47/13/669734713.db2.gz BKGMLGJRSWDRMO-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CC1)N1CCCCC1 ZINC000793694719 669734717 /nfs/dbraw/zinc/73/47/17/669734717.db2.gz BKGMLGJRSWDRMO-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000950247595 669985045 /nfs/dbraw/zinc/98/50/45/669985045.db2.gz APXJFUWFVWOJHH-KWCYVHTRSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000950247595 669985047 /nfs/dbraw/zinc/98/50/47/669985047.db2.gz APXJFUWFVWOJHH-KWCYVHTRSA-N 1 3 319.409 0.010 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)CC1 ZINC000950826675 670134514 /nfs/dbraw/zinc/13/45/14/670134514.db2.gz HMYQGRBWFOOEHE-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCO)C2)C1 ZINC001036820669 670204747 /nfs/dbraw/zinc/20/47/47/670204747.db2.gz MVFSRIYYMHLLJP-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)C1 ZINC001036820669 670204750 /nfs/dbraw/zinc/20/47/50/670204750.db2.gz MVFSRIYYMHLLJP-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650166 670708968 /nfs/dbraw/zinc/70/89/68/670708968.db2.gz KXAFSQOQFZTNGJ-HZSPNIEDSA-N 1 3 312.483 0.096 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650166 670708970 /nfs/dbraw/zinc/70/89/70/670708970.db2.gz KXAFSQOQFZTNGJ-HZSPNIEDSA-N 1 3 312.483 0.096 20 0 DCADHO COc1ccc(CNC(=[NH2+])NC[C@@]2(O)CCN(C)C2)cc1OC ZINC000849085492 670757428 /nfs/dbraw/zinc/75/74/28/670757428.db2.gz OPBMUFTZUCZFDW-INIZCTEOSA-N 1 3 322.409 0.384 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000858191792 670978360 /nfs/dbraw/zinc/97/83/60/670978360.db2.gz CBBFEQXLAOTWFM-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000858191792 670978364 /nfs/dbraw/zinc/97/83/64/670978364.db2.gz CBBFEQXLAOTWFM-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000858191796 670978530 /nfs/dbraw/zinc/97/85/30/670978530.db2.gz CBBFEQXLAOTWFM-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000858191796 670978532 /nfs/dbraw/zinc/97/85/32/670978532.db2.gz CBBFEQXLAOTWFM-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccnc(CO)c2)CC1 ZINC000858455634 671006577 /nfs/dbraw/zinc/00/65/77/671006577.db2.gz QNDAITLWAHTTMS-OAHLLOKOSA-N 1 3 304.394 0.492 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccnc(CO)c2)CC1 ZINC000858455634 671006581 /nfs/dbraw/zinc/00/65/81/671006581.db2.gz QNDAITLWAHTTMS-OAHLLOKOSA-N 1 3 304.394 0.492 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000851686870 671014275 /nfs/dbraw/zinc/01/42/75/671014275.db2.gz IOKQMBCTVNPCOY-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852826337 671168628 /nfs/dbraw/zinc/16/86/28/671168628.db2.gz UKHFXFKLMKNBJC-UKRRQHHQSA-N 1 3 319.405 0.580 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884102 671185037 /nfs/dbraw/zinc/18/50/37/671185037.db2.gz DPNMOEUWNCKXSG-XNRPHZJLSA-N 1 3 316.405 0.727 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)c2[nH]nc3c2CNCC3)CCO1 ZINC000852924760 671196260 /nfs/dbraw/zinc/19/62/60/671196260.db2.gz UHZBVJLYVADTNA-GFCCVEGCSA-N 1 3 321.425 0.238 20 0 DCADHO CC(C)(C)[NH2+]CCC(=O)NCC(=O)NCCN1CCCCC1 ZINC000821928474 671298963 /nfs/dbraw/zinc/29/89/63/671298963.db2.gz GLAGJSJSBJVMFD-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ncn1 ZINC000824827221 671441327 /nfs/dbraw/zinc/44/13/27/671441327.db2.gz YHGCPKKWIWXOBC-LBPRGKRZSA-N 1 3 309.414 0.487 20 0 DCADHO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncn1 ZINC000824827221 671441328 /nfs/dbraw/zinc/44/13/28/671441328.db2.gz YHGCPKKWIWXOBC-LBPRGKRZSA-N 1 3 309.414 0.487 20 0 DCADHO Nc1nc2c(c(N3CC[NH+](CCCCO)CC3)n1)CCCC2 ZINC000825775773 671471944 /nfs/dbraw/zinc/47/19/44/671471944.db2.gz BVUZXGFIZBNLTP-UHFFFAOYSA-N 1 3 305.426 0.832 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000827309321 671522214 /nfs/dbraw/zinc/52/22/14/671522214.db2.gz GROYZGHCHCMAGC-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000827309321 671522215 /nfs/dbraw/zinc/52/22/15/671522215.db2.gz GROYZGHCHCMAGC-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NCCCCCC[NH3+] ZINC000831275574 671662647 /nfs/dbraw/zinc/66/26/47/671662647.db2.gz YEOVEKDPQNGSJK-UHFFFAOYSA-N 1 3 313.490 0.784 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000841788191 671955133 /nfs/dbraw/zinc/95/51/33/671955133.db2.gz CUDXROCXJULKJD-YHUYYLMFSA-N 1 3 324.469 0.914 20 0 DCADHO O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)CNCCO2 ZINC000841852103 671959917 /nfs/dbraw/zinc/95/99/17/671959917.db2.gz DEVALJSBBZMRFZ-CQSZACIVSA-N 1 3 305.378 0.876 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000842014305 671973945 /nfs/dbraw/zinc/97/39/45/671973945.db2.gz BVSODCHCHVTQDH-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CCCCC1 ZINC000842014276 671974110 /nfs/dbraw/zinc/97/41/10/671974110.db2.gz BOCJJEDGQRWJNE-CJNGLKHVSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842016728 671975170 /nfs/dbraw/zinc/97/51/70/671975170.db2.gz XHBIRTPMIDVCGB-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000842174252 671989377 /nfs/dbraw/zinc/98/93/77/671989377.db2.gz CWBUHLHKVQEFJM-NFOMZHRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C)C[C@@H](N)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001649061840 1158628657 /nfs/dbraw/zinc/62/86/57/1158628657.db2.gz BCRFTLVBMLNILX-WKIHFJMMSA-N 1 3 311.426 0.489 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954318407 685991226 /nfs/dbraw/zinc/99/12/26/685991226.db2.gz SQYCZGHNILHYOZ-UKRRQHHQSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954318407 685991230 /nfs/dbraw/zinc/99/12/30/685991230.db2.gz SQYCZGHNILHYOZ-UKRRQHHQSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961950422 688775326 /nfs/dbraw/zinc/77/53/26/688775326.db2.gz XLRUUYMODWGIJQ-QXSJWSMHSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000961950422 688775330 /nfs/dbraw/zinc/77/53/30/688775330.db2.gz XLRUUYMODWGIJQ-QXSJWSMHSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N1CCCCCC1 ZINC000961961854 688778112 /nfs/dbraw/zinc/77/81/12/688778112.db2.gz SGNMHCVEZHTEDF-WCVJEAGWSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1CCCCCC1 ZINC000961961854 688778114 /nfs/dbraw/zinc/77/81/14/688778114.db2.gz SGNMHCVEZHTEDF-WCVJEAGWSA-N 1 3 309.454 0.680 20 0 DCADHO O=C(NC[C@@H]1CCN1C[C@@H]1CCCOC1)C12CC[NH+](CC1)C2 ZINC001038924619 694242124 /nfs/dbraw/zinc/24/21/24/694242124.db2.gz DMUIQLJQHKTXLI-GJZGRUSLSA-N 1 3 307.438 0.699 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000962528680 688932314 /nfs/dbraw/zinc/93/23/14/688932314.db2.gz DKBOBYCRVIBGDL-WLYUNCDWSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000962528680 688932315 /nfs/dbraw/zinc/93/23/15/688932315.db2.gz DKBOBYCRVIBGDL-WLYUNCDWSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963908328 689109729 /nfs/dbraw/zinc/10/97/29/689109729.db2.gz RCWUCAVFXIZOBW-IYXRBSQSSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC000969074529 690464026 /nfs/dbraw/zinc/46/40/26/690464026.db2.gz HSXSVTYXYSKFFI-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015390423 692283967 /nfs/dbraw/zinc/28/39/67/692283967.db2.gz CRAVHXQLUNMCRW-HOCLYGCPSA-N 1 3 319.449 0.976 20 0 DCADHO COC[C@@H](C)N1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826813 692458148 /nfs/dbraw/zinc/45/81/48/692458148.db2.gz JJDIPFOPHBJAQQ-HIFRSBDPSA-N 1 3 323.441 0.284 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCO)C3)C1 ZINC001040395391 694545941 /nfs/dbraw/zinc/54/59/41/694545941.db2.gz PHRGBHJMLWRINH-DOTOQJQBSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCO)C3)C1 ZINC001040395391 694545943 /nfs/dbraw/zinc/54/59/43/694545943.db2.gz PHRGBHJMLWRINH-DOTOQJQBSA-N 1 3 309.454 0.635 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n[nH]1 ZINC001018853991 693263547 /nfs/dbraw/zinc/26/35/47/693263547.db2.gz BHONZZSALBIZNM-KBPBESRZSA-N 1 3 318.425 0.145 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC001018869754 693269186 /nfs/dbraw/zinc/26/91/86/693269186.db2.gz BEYVFTYHEVXZSO-CWRNSKLLSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC001018869754 693269188 /nfs/dbraw/zinc/26/91/88/693269188.db2.gz BEYVFTYHEVXZSO-CWRNSKLLSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001018867715 693269302 /nfs/dbraw/zinc/26/93/02/693269302.db2.gz WFUCLDGBPTVHPY-UHOFOFEASA-N 1 3 317.437 0.816 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001018867715 693269306 /nfs/dbraw/zinc/26/93/06/693269306.db2.gz WFUCLDGBPTVHPY-UHOFOFEASA-N 1 3 317.437 0.816 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001019386086 693458269 /nfs/dbraw/zinc/45/82/69/693458269.db2.gz BGYXCRCWZJNQFG-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC1(C)CO[C@@H](C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001019435779 693473100 /nfs/dbraw/zinc/47/31/00/693473100.db2.gz MSIOHOQDOFQLTD-GXTWGEPZSA-N 1 3 306.410 0.958 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC001019437940 693473657 /nfs/dbraw/zinc/47/36/57/693473657.db2.gz BLSINEAYYMMWTA-AWEZNQCLSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001019593160 693533740 /nfs/dbraw/zinc/53/37/40/693533740.db2.gz LRYDBPLGILHHKM-LSDHHAIUSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC001019630702 693547321 /nfs/dbraw/zinc/54/73/21/693547321.db2.gz IEULQOILZRTWOY-WFASDCNBSA-N 1 3 322.453 0.173 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019652095 693554139 /nfs/dbraw/zinc/55/41/39/693554139.db2.gz HNRPHKHWDLQSPH-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019652095 693554144 /nfs/dbraw/zinc/55/41/44/693554144.db2.gz HNRPHKHWDLQSPH-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072678002 694651413 /nfs/dbraw/zinc/65/14/13/694651413.db2.gz WYNAAAQWBAYLNA-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073461658 694729323 /nfs/dbraw/zinc/72/93/23/694729323.db2.gz HKYYIXBEIGBUHE-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073461658 694729324 /nfs/dbraw/zinc/72/93/24/694729324.db2.gz HKYYIXBEIGBUHE-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)[C@H]1CCCN1C ZINC001074561636 694907782 /nfs/dbraw/zinc/90/77/82/694907782.db2.gz HXQOWRUZSHSREC-AEGPPILISA-N 1 3 305.426 0.593 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074684321 694916981 /nfs/dbraw/zinc/91/69/81/694916981.db2.gz ODVARKXBWIMLIR-IHRRRGAJSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074684321 694916982 /nfs/dbraw/zinc/91/69/82/694916982.db2.gz ODVARKXBWIMLIR-IHRRRGAJSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001074942701 694931206 /nfs/dbraw/zinc/93/12/06/694931206.db2.gz GEASKSATTJMZPU-OBJOEFQTSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042203 694935850 /nfs/dbraw/zinc/93/58/50/694935850.db2.gz BHQCCULJWJULLO-LZWOXQAQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075042203 694935851 /nfs/dbraw/zinc/93/58/51/694935851.db2.gz BHQCCULJWJULLO-LZWOXQAQSA-N 1 3 319.453 0.841 20 0 DCADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070696 694996948 /nfs/dbraw/zinc/99/69/48/694996948.db2.gz XCISJYIEHHMQQW-SYGRHNPNSA-N 1 3 319.449 0.792 20 0 DCADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070696 694996949 /nfs/dbraw/zinc/99/69/49/694996949.db2.gz XCISJYIEHHMQQW-SYGRHNPNSA-N 1 3 319.449 0.792 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713106 695040103 /nfs/dbraw/zinc/04/01/03/695040103.db2.gz JZWNVTUAUUNXGO-ZIAGYGMSSA-N 1 3 320.393 0.537 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713106 695040104 /nfs/dbraw/zinc/04/01/04/695040104.db2.gz JZWNVTUAUUNXGO-ZIAGYGMSSA-N 1 3 320.393 0.537 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCF ZINC001571580266 1162822784 /nfs/dbraw/zinc/82/27/84/1162822784.db2.gz MUFOTFZQRGGNTP-KBPBESRZSA-N 1 3 303.422 0.628 20 0 DCADHO CCN(CC)[C@H]1CCN(S(=O)(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC000249922516 1157406765 /nfs/dbraw/zinc/40/67/65/1157406765.db2.gz BBTCIWNHKBNIOT-KGLIPLIRSA-N 1 3 303.472 0.874 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001691339239 1157647239 /nfs/dbraw/zinc/64/72/39/1157647239.db2.gz DKSBTBJFOSCGLF-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001691339239 1157647241 /nfs/dbraw/zinc/64/72/41/1157647241.db2.gz DKSBTBJFOSCGLF-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCNC/C=C/Cl)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001691508909 1158130346 /nfs/dbraw/zinc/13/03/46/1158130346.db2.gz ZUAIBBBCIFRCNS-SNAWJCMRSA-N 1 3 313.833 0.859 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC001648962147 1158189196 /nfs/dbraw/zinc/18/91/96/1158189196.db2.gz MFTQXNODFYZLIF-YQQAZPJKSA-N 1 3 305.422 0.388 20 0 DCADHO C[C@H]([NH3+])C1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC001648970555 1158206399 /nfs/dbraw/zinc/20/63/99/1158206399.db2.gz QDNAUESBVXQTII-MELADBBJSA-N 1 3 311.426 0.110 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001649051339 1158624742 /nfs/dbraw/zinc/62/47/42/1158624742.db2.gz RWOOOJONBHWFTP-CVEARBPZSA-N 1 3 315.417 0.586 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001649143271 1158790783 /nfs/dbraw/zinc/79/07/83/1158790783.db2.gz NUDGBAUNSBUXFO-JZXOWHBKSA-N 1 3 316.449 0.704 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1)C(N)=O ZINC001445956663 1159324928 /nfs/dbraw/zinc/32/49/28/1159324928.db2.gz PFNYQMVXSBMKNI-OCCSQVGLSA-N 1 3 322.453 0.221 20 0 DCADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001446553673 1159470292 /nfs/dbraw/zinc/47/02/92/1159470292.db2.gz JXVVMWBOIUXPCU-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001447573434 1159663542 /nfs/dbraw/zinc/66/35/42/1159663542.db2.gz FTGMWXVALOMQFK-KBXIAJHMSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001447573434 1159663543 /nfs/dbraw/zinc/66/35/43/1159663543.db2.gz FTGMWXVALOMQFK-KBXIAJHMSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC[NH2+]CC(=O)N(C)CC1CC1)C(=O)[C@H]1CCCCN1C ZINC001567517324 1160405419 /nfs/dbraw/zinc/40/54/19/1160405419.db2.gz GDYZPCCAQBNXQZ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001567610559 1160439758 /nfs/dbraw/zinc/43/97/58/1160439758.db2.gz FJBLUCOMXOYGGB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCc1cnn(C)c1 ZINC001568176027 1160590885 /nfs/dbraw/zinc/59/08/85/1160590885.db2.gz POFBKLBAVAZJBR-AWEZNQCLSA-N 1 3 321.469 0.789 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC ZINC001568859190 1160823438 /nfs/dbraw/zinc/82/34/38/1160823438.db2.gz YAAJOFNDZRWXBM-BUHQSOCUSA-N 1 3 310.442 0.257 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC ZINC001568859190 1160823446 /nfs/dbraw/zinc/82/34/46/1160823446.db2.gz YAAJOFNDZRWXBM-BUHQSOCUSA-N 1 3 310.442 0.257 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC001569209714 1160979748 /nfs/dbraw/zinc/97/97/48/1160979748.db2.gz HSKOSPDLIIGLNY-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H]([NH2+]CCCN(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001569252086 1160994942 /nfs/dbraw/zinc/99/49/42/1160994942.db2.gz UXEBXRXIFXJARE-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001569267516 1160998953 /nfs/dbraw/zinc/99/89/53/1160998953.db2.gz YEHUOECEHDVRCF-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC001575141204 1163914560 /nfs/dbraw/zinc/91/45/60/1163914560.db2.gz VVEKYXNPKKZFDX-ZDUSSCGKSA-N 1 3 309.458 0.158 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001575348447 1163982595 /nfs/dbraw/zinc/98/25/95/1163982595.db2.gz SQEMVBYACIEUDT-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001575348447 1163982600 /nfs/dbraw/zinc/98/26/00/1163982600.db2.gz SQEMVBYACIEUDT-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](NCc1cn[nH]n1)C1CC1)[NH+](C)C ZINC001575441959 1164015500 /nfs/dbraw/zinc/01/55/00/1164015500.db2.gz AEIYTCVTPWFNDG-UONOGXRCSA-N 1 3 308.430 0.375 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c(CN)cnn2C)C1 ZINC001575600817 1164077636 /nfs/dbraw/zinc/07/76/36/1164077636.db2.gz LNEPAZXQDLBFBD-ZDUSSCGKSA-N 1 3 307.442 0.977 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c(CN)cnn2C)C1 ZINC001575600817 1164077645 /nfs/dbraw/zinc/07/76/45/1164077645.db2.gz LNEPAZXQDLBFBD-ZDUSSCGKSA-N 1 3 307.442 0.977 20 0 DCADHO C[C@H](CC(=O)N[C@H](CO)CN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001575920943 1164185679 /nfs/dbraw/zinc/18/56/79/1164185679.db2.gz HLJXNSFMLVJKMF-OAGGEKHMSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC001576033762 1164218444 /nfs/dbraw/zinc/21/84/44/1164218444.db2.gz VRKYMWIQGIBTCU-STQMWFEESA-N 1 3 313.442 0.751 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1([C@]2(O)CCC[NH2+]C2)CCC1 ZINC001576797224 1164466361 /nfs/dbraw/zinc/46/63/61/1164466361.db2.gz AYKUYGHZKUWZRB-XUWXXGDYSA-N 1 3 321.465 0.870 20 0 DCADHO CCCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCN(C)C1 ZINC001577488867 1164702253 /nfs/dbraw/zinc/70/22/53/1164702253.db2.gz KWIGSALERPLPBZ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001577778351 1164790298 /nfs/dbraw/zinc/79/02/98/1164790298.db2.gz VGROLUPJZDRZDN-HRCADAONSA-N 1 3 323.485 0.263 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CNCc1c[nH]nn1 ZINC001577872696 1164820874 /nfs/dbraw/zinc/82/08/74/1164820874.db2.gz IPSODCFDXINOOS-OAHLLOKOSA-N 1 3 320.441 0.761 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1(F)CC[NH2+]CC1 ZINC001578416988 1165007082 /nfs/dbraw/zinc/00/70/82/1165007082.db2.gz JIGUKRVBIOIWNK-ZDUSSCGKSA-N 1 3 301.406 0.647 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)C1 ZINC001578526014 1165044984 /nfs/dbraw/zinc/04/49/84/1165044984.db2.gz WXGCWRJYTQMQIH-WMLDXEAASA-N 1 3 316.405 0.221 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)C1 ZINC001578526014 1165044993 /nfs/dbraw/zinc/04/49/93/1165044993.db2.gz WXGCWRJYTQMQIH-WMLDXEAASA-N 1 3 316.405 0.221 20 0 DCADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC001578768925 1165098881 /nfs/dbraw/zinc/09/88/81/1165098881.db2.gz QQLKSQFWVQKHBL-CYBMUJFWSA-N 1 3 322.405 0.913 20 0 DCADHO COc1cccc([C@@H](CNC(=O)C[C@@H](O)C[NH3+])N2CCCC2)c1 ZINC001579258759 1165251777 /nfs/dbraw/zinc/25/17/77/1165251777.db2.gz APZKLOLCOMKFER-GDBMZVCRSA-N 1 3 321.421 0.658 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001579500042 1165333195 /nfs/dbraw/zinc/33/31/95/1165333195.db2.gz PYUNKTBGGVRPGA-NGFQHRJXSA-N 1 3 305.426 0.322 20 0 DCADHO Cn1ccc([C@H]2CCCN(C[C@H]3CC4(C[NH2+]C4)C(=O)O3)C2)n1 ZINC001579970836 1165455591 /nfs/dbraw/zinc/45/55/91/1165455591.db2.gz DRHRZVYHGVZHKW-QWHCGFSZSA-N 1 3 304.394 0.505 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC001580084813 1165496468 /nfs/dbraw/zinc/49/64/68/1165496468.db2.gz KXWFXRINRHCRCV-AWEZNQCLSA-N 1 3 320.437 0.366 20 0 DCADHO O=C(N[C@H]1CCC[C@H]1N1CCC(O)CC1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580609871 1165655460 /nfs/dbraw/zinc/65/54/60/1165655460.db2.gz VPYYJTHMPUYYKN-AKSVOJBYSA-N 1 3 307.438 0.621 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001583567570 1166269877 /nfs/dbraw/zinc/26/98/77/1166269877.db2.gz KZGCATITVQDLAK-KXLSMFKISA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001583567570 1166269880 /nfs/dbraw/zinc/26/98/80/1166269880.db2.gz KZGCATITVQDLAK-KXLSMFKISA-N 1 3 324.469 0.457 20 0 DCADHO [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592744352 1167627536 /nfs/dbraw/zinc/62/75/36/1167627536.db2.gz IESIYCUYMLRWPA-SWLSCSKDSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592744352 1167627540 /nfs/dbraw/zinc/62/75/40/1167627540.db2.gz IESIYCUYMLRWPA-SWLSCSKDSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592744352 1167627544 /nfs/dbraw/zinc/62/75/44/1167627544.db2.gz IESIYCUYMLRWPA-SWLSCSKDSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592744352 1167627548 /nfs/dbraw/zinc/62/75/48/1167627548.db2.gz IESIYCUYMLRWPA-SWLSCSKDSA-N 1 3 316.409 0.961 20 0 DCADHO C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001609283726 1170911423 /nfs/dbraw/zinc/91/14/23/1170911423.db2.gz MBOFCNMSXZCTGL-UHFFFAOYSA-N 1 3 320.372 0.552 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCNC3)CCCO1 ZINC001646758249 1172514572 /nfs/dbraw/zinc/51/45/72/1172514572.db2.gz WYPOFIHVTKCKRA-CQSZACIVSA-N 1 3 305.378 0.358 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)NCCN2CCC([NH3+])CC2)C1(C)C ZINC001646791916 1172534629 /nfs/dbraw/zinc/53/46/29/1172534629.db2.gz ZXSOWPSUAQAJME-XJKSGUPXSA-N 1 3 312.458 0.058 20 0 DCADHO O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001646835867 1172557479 /nfs/dbraw/zinc/55/74/79/1172557479.db2.gz GKZOYQJCFOSRSV-IAGOWNOFSA-N 1 3 315.417 0.961 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001647393064 1172859771 /nfs/dbraw/zinc/85/97/71/1172859771.db2.gz WRWUUTBETIYOJM-HUUCEWRRSA-N 1 3 311.474 0.393 20 0 DCADHO COc1ccccc1COC[C@H](O)CNC[C@]1(O)CC[N@H+](C)C1 ZINC001647560768 1172972332 /nfs/dbraw/zinc/97/23/32/1172972332.db2.gz SNIOTKJAWRECIO-NVXWUHKLSA-N 1 3 324.421 0.229 20 0 DCADHO COc1ccccc1COC[C@H](O)CNC[C@]1(O)CC[N@@H+](C)C1 ZINC001647560768 1172972338 /nfs/dbraw/zinc/97/23/38/1172972338.db2.gz SNIOTKJAWRECIO-NVXWUHKLSA-N 1 3 324.421 0.229 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N(C)C2(C[NH3+])CCOCC2)CN1C1CC1 ZINC001647567221 1172975032 /nfs/dbraw/zinc/97/50/32/1172975032.db2.gz XTZHZXIHIOPELM-QWHCGFSZSA-N 1 3 310.442 0.761 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]([NH3+])C3CCCCC3)C2)nn1 ZINC001649856605 1173263694 /nfs/dbraw/zinc/26/36/94/1173263694.db2.gz YYXHAQQATVPERW-GJZGRUSLSA-N 1 3 320.441 0.808 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001649881197 1173280013 /nfs/dbraw/zinc/28/00/13/1173280013.db2.gz QVNSKPMVICWAIH-BPLDGKMQSA-N 1 3 310.442 0.618 20 0 DCADHO CCN1CCN(CCC(=O)N(CC[NH3+])CC(F)(F)F)CC1 ZINC001649975974 1173354681 /nfs/dbraw/zinc/35/46/81/1173354681.db2.gz DAORSRDGMMKXAN-UHFFFAOYSA-N 1 3 310.364 0.364 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001650338877 1173576432 /nfs/dbraw/zinc/57/64/32/1173576432.db2.gz DSFPNJIEJHFKIQ-WBMJQRKESA-N 1 3 313.442 0.105 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001650343758 1173580371 /nfs/dbraw/zinc/58/03/71/1173580371.db2.gz PSSLJHCVMLVGCN-ZWNOBZJWSA-N 1 3 304.394 0.626 20 0 DCADHO C[C@@H](C(=O)N1NC(=O)CC12CC[NH2+]CC2)[C@H](N)c1ccccc1 ZINC001650396158 1173617077 /nfs/dbraw/zinc/61/70/77/1173617077.db2.gz METUUCOHWOPMOZ-DOMZBBRYSA-N 1 3 316.405 0.708 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCCNC1=O ZINC001660529371 1174004022 /nfs/dbraw/zinc/00/40/22/1174004022.db2.gz UAADRDRZTKHXOR-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCCNC1=O ZINC001660529371 1174004028 /nfs/dbraw/zinc/00/40/28/1174004028.db2.gz UAADRDRZTKHXOR-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001662443438 1174211415 /nfs/dbraw/zinc/21/14/15/1174211415.db2.gz YHDWERDTUMJUCD-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO NC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663067585 1174261532 /nfs/dbraw/zinc/26/15/32/1174261532.db2.gz WAUFZEVOPWCJRX-CABCVRRESA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001668086932 1174754020 /nfs/dbraw/zinc/75/40/20/1174754020.db2.gz LXSQLNMYOTYDQP-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CCNCC(=O)N[C@@H](C)C1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668644833 1174815876 /nfs/dbraw/zinc/81/58/76/1174815876.db2.gz HYKJNCCWWMLMMD-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNCC(=O)N[C@@H](C)C1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668644833 1174815881 /nfs/dbraw/zinc/81/58/81/1174815881.db2.gz HYKJNCCWWMLMMD-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC[NH2+]CCn1nc(C)nc1C)C(=O)CN1CCCC1 ZINC001668645883 1174816063 /nfs/dbraw/zinc/81/60/63/1174816063.db2.gz SPDSMEKVNFTJRK-UHFFFAOYSA-N 1 3 322.457 0.429 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CN[C@H]2CCCN(C)C2=O)C1 ZINC001669040639 1174882259 /nfs/dbraw/zinc/88/22/59/1174882259.db2.gz YLULJLYCRXGQQP-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CN[C@H]2CCCN(C)C2=O)C1 ZINC001669040639 1174882265 /nfs/dbraw/zinc/88/22/65/1174882265.db2.gz YLULJLYCRXGQQP-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCCC1=O ZINC001669289247 1174918067 /nfs/dbraw/zinc/91/80/67/1174918067.db2.gz UOIRZSPLIGFSDD-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCNC(=O)CN1CCCC1)[NH+](C)C ZINC001687023445 1176265846 /nfs/dbraw/zinc/26/58/46/1176265846.db2.gz BZRUNJSUWVJBMP-HNNXBMFYSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001687097175 1176276674 /nfs/dbraw/zinc/27/66/74/1176276674.db2.gz ZVJCPOYQXRLIJH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001687097175 1176276676 /nfs/dbraw/zinc/27/66/76/1176276676.db2.gz ZVJCPOYQXRLIJH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@H](N(CCCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)C1=O ZINC001690014505 1177143540 /nfs/dbraw/zinc/14/35/40/1177143540.db2.gz GBHIYRGJHSYDHE-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CC[C@H](N(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)C1=O ZINC001690014505 1177143543 /nfs/dbraw/zinc/14/35/43/1177143543.db2.gz GBHIYRGJHSYDHE-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCn1cc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)cn1 ZINC001699238306 1177968123 /nfs/dbraw/zinc/96/81/23/1177968123.db2.gz WAWPDOOUDHEHRJ-AWFCHZOYSA-N 1 3 319.453 0.802 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001699256536 1177993347 /nfs/dbraw/zinc/99/33/47/1177993347.db2.gz BLQJXZDLYDCZPY-LRPXVYOUSA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001699256536 1177993357 /nfs/dbraw/zinc/99/33/57/1177993357.db2.gz BLQJXZDLYDCZPY-LRPXVYOUSA-N 1 3 322.453 0.400 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001699847359 1178315608 /nfs/dbraw/zinc/31/56/08/1178315608.db2.gz YDKNCEVLFMNDNY-HOCLYGCPSA-N 1 3 322.457 0.447 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001703222658 1179403144 /nfs/dbraw/zinc/40/31/44/1179403144.db2.gz LSQJNLWIVWEVGQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001703222658 1179403146 /nfs/dbraw/zinc/40/31/46/1179403146.db2.gz LSQJNLWIVWEVGQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001703222987 1179404230 /nfs/dbraw/zinc/40/42/30/1179404230.db2.gz YOKJJHFFCKBXKE-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001713283718 1180751245 /nfs/dbraw/zinc/75/12/45/1180751245.db2.gz PSHIICJHXUDCHB-NBFUAULTSA-N 1 3 309.454 0.942 20 0 DCADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001713283718 1180751256 /nfs/dbraw/zinc/75/12/56/1180751256.db2.gz PSHIICJHXUDCHB-NBFUAULTSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCO ZINC001713334533 1180772041 /nfs/dbraw/zinc/77/20/41/1180772041.db2.gz BMJOYHFQNGNPLT-IUODEOHRSA-N 1 3 303.422 0.676 20 0 DCADHO CN(CC(=O)N1CCC(CC[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001714267896 1181300638 /nfs/dbraw/zinc/30/06/38/1181300638.db2.gz HLKSNWQMTZLQRG-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001714762038 1181530670 /nfs/dbraw/zinc/53/06/70/1181530670.db2.gz BYOCVLVCVSZKOX-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNCC(=O)NCC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001714782357 1181543228 /nfs/dbraw/zinc/54/32/28/1181543228.db2.gz BVBRVHCUIXCJFX-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CN(C)c1cc(C[NH2+]CCN(C)C(=O)CN2CCCC2)ccn1 ZINC001714793618 1181550503 /nfs/dbraw/zinc/55/05/03/1181550503.db2.gz DUPSWNIHGPQYMS-UHFFFAOYSA-N 1 3 319.453 0.791 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715907076 1182092493 /nfs/dbraw/zinc/09/24/93/1182092493.db2.gz IGEVBQBHOPIVNB-MEWZEZIVSA-N 1 3 310.442 0.115 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715907076 1182092497 /nfs/dbraw/zinc/09/24/97/1182092497.db2.gz IGEVBQBHOPIVNB-MEWZEZIVSA-N 1 3 310.442 0.115 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716239619 1182272670 /nfs/dbraw/zinc/27/26/70/1182272670.db2.gz NSYGSICBOBTWNV-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001716239619 1182272674 /nfs/dbraw/zinc/27/26/74/1182272674.db2.gz NSYGSICBOBTWNV-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)CN1CCCC1 ZINC001716254121 1182280285 /nfs/dbraw/zinc/28/02/85/1182280285.db2.gz VIYBTSFDIXPFES-UHFFFAOYSA-N 1 3 307.442 0.497 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001716350356 1182352160 /nfs/dbraw/zinc/35/21/60/1182352160.db2.gz FZCZXQBNSRVBRR-LAWSMPECSA-N 1 3 310.442 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CCCOC)C1)N(C)C ZINC001717254193 1182752255 /nfs/dbraw/zinc/75/22/55/1182752255.db2.gz LWFNEWBWBCIECY-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO CC1CCN(CC(=O)N2CCC(O)(C[NH2+]CCF)CC2)CC1 ZINC001717323503 1182780966 /nfs/dbraw/zinc/78/09/66/1182780966.db2.gz DVVOHTXVPKTNST-UHFFFAOYSA-N 1 3 315.433 0.631 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001722992244 1184242476 /nfs/dbraw/zinc/24/24/76/1184242476.db2.gz VXTPLRUZZUJQHJ-HNNXBMFYSA-N 1 3 322.457 0.427 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCOCCO)CCC1 ZINC001723906278 1184361463 /nfs/dbraw/zinc/36/14/63/1184361463.db2.gz PWCSSRWDATUCGQ-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO COCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001725315638 1184766051 /nfs/dbraw/zinc/76/60/51/1184766051.db2.gz YZFCZRQLPJHSMZ-QKDCVEJESA-N 1 3 309.454 0.801 20 0 DCADHO COCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001725315638 1184766057 /nfs/dbraw/zinc/76/60/57/1184766057.db2.gz YZFCZRQLPJHSMZ-QKDCVEJESA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H](CCC[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001725410849 1184810328 /nfs/dbraw/zinc/81/03/28/1184810328.db2.gz AAODNVWAFOMAHQ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)NCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001725514196 1184853486 /nfs/dbraw/zinc/85/34/86/1184853486.db2.gz XITPQQNYRIDFED-GFCCVEGCSA-N 1 3 324.429 0.096 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)[C@@H]2CCCNC2=O)C1 ZINC001731265279 1185228914 /nfs/dbraw/zinc/22/89/14/1185228914.db2.gz GQMZURFMJPAHKZ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@@H]2CCCNC2=O)C1 ZINC001731265279 1185228918 /nfs/dbraw/zinc/22/89/18/1185228918.db2.gz GQMZURFMJPAHKZ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCNC(=O)C3CC3)C2)CCC1 ZINC001731479315 1185351698 /nfs/dbraw/zinc/35/16/98/1185351698.db2.gz LUYYPUBNAAVSFT-OKILXGFUSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001731654445 1185430652 /nfs/dbraw/zinc/43/06/52/1185430652.db2.gz RPVWZYVRZTZPIQ-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CC(=O)NCCC[C@H]1CCC[N@@H+]1CC(N)=O)C1CCC1 ZINC001731751847 1185470199 /nfs/dbraw/zinc/47/01/99/1185470199.db2.gz ZUFOONSHTRWLHI-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CC(=O)NCCC[C@H]1CCC[N@H+]1CC(N)=O)C1CCC1 ZINC001731751847 1185470202 /nfs/dbraw/zinc/47/02/02/1185470202.db2.gz ZUFOONSHTRWLHI-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001731952180 1185601393 /nfs/dbraw/zinc/60/13/93/1185601393.db2.gz IMECXDUIDWKRMQ-DOMZBBRYSA-N 1 3 303.422 0.628 20 0 DCADHO COCCOCCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001732175564 1185720618 /nfs/dbraw/zinc/72/06/18/1185720618.db2.gz IVKOBVWEVLTXKS-CABCVRRESA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001732175564 1185720623 /nfs/dbraw/zinc/72/06/23/1185720623.db2.gz IVKOBVWEVLTXKS-CABCVRRESA-N 1 3 313.442 0.134 20 0 DCADHO C[C@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001732727632 1185938664 /nfs/dbraw/zinc/93/86/64/1185938664.db2.gz APVOMXXEUZBJMP-HUUCEWRRSA-N 1 3 321.469 0.789 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001732728703 1185938934 /nfs/dbraw/zinc/93/89/34/1185938934.db2.gz LDWWEBNTJMLDML-STQMWFEESA-N 1 3 308.430 0.141 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001733136128 1186157912 /nfs/dbraw/zinc/15/79/12/1186157912.db2.gz ROHYWLYDGOMLTK-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001733351955 1186237951 /nfs/dbraw/zinc/23/79/51/1186237951.db2.gz QKKNSYMRWSRNGA-INIZCTEOSA-N 1 3 319.453 0.639 20 0 DCADHO COCCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001733855933 1186477371 /nfs/dbraw/zinc/47/73/71/1186477371.db2.gz WHZQPVROBPSFEU-GXTWGEPZSA-N 1 3 310.398 0.052 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001734427310 1186650064 /nfs/dbraw/zinc/65/00/64/1186650064.db2.gz YOQRSERXNVUHOG-FZMZJTMJSA-N 1 3 319.409 0.057 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001736952802 1187192304 /nfs/dbraw/zinc/19/23/04/1187192304.db2.gz NALBBYFWCRWXBH-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001736952802 1187192306 /nfs/dbraw/zinc/19/23/06/1187192306.db2.gz NALBBYFWCRWXBH-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CCNC1=O ZINC001752181774 1188398889 /nfs/dbraw/zinc/39/88/89/1188398889.db2.gz KQKUNTFDJMQKEF-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CCNC1=O ZINC001752181774 1188398891 /nfs/dbraw/zinc/39/88/91/1188398891.db2.gz KQKUNTFDJMQKEF-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001752808194 1188444227 /nfs/dbraw/zinc/44/42/27/1188444227.db2.gz WGQPWQUXOVBALD-CYBMUJFWSA-N 1 3 317.397 0.072 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753965802 1188698993 /nfs/dbraw/zinc/69/89/93/1188698993.db2.gz IUCZGVGPAWCQRX-SMDDNHRTSA-N 1 3 323.466 0.864 20 0 DCADHO CCOCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001755443968 1189114547 /nfs/dbraw/zinc/11/45/47/1189114547.db2.gz FCEZSDSOJTVHLR-OCCSQVGLSA-N 1 3 310.398 0.194 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001758086909 1189715617 /nfs/dbraw/zinc/71/56/17/1189715617.db2.gz SYIAHOQYLVCLKM-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001758086909 1189715619 /nfs/dbraw/zinc/71/56/19/1189715619.db2.gz SYIAHOQYLVCLKM-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001759716157 1190278428 /nfs/dbraw/zinc/27/84/28/1190278428.db2.gz RYFUWNFFIZZGDL-WLBISTCBSA-N 1 3 324.469 0.457 20 0 DCADHO CCCN(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001759716157 1190278433 /nfs/dbraw/zinc/27/84/33/1190278433.db2.gz RYFUWNFFIZZGDL-WLBISTCBSA-N 1 3 324.469 0.457 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001759740747 1190285736 /nfs/dbraw/zinc/28/57/36/1190285736.db2.gz SQKPGKPBXKLDEG-VUBDOFJKSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001759740747 1190285739 /nfs/dbraw/zinc/28/57/39/1190285739.db2.gz SQKPGKPBXKLDEG-VUBDOFJKSA-N 1 3 322.453 0.211 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001771930581 1190562363 /nfs/dbraw/zinc/56/23/63/1190562363.db2.gz KYNRYGOVVIEIHB-STQMWFEESA-N 1 3 302.440 0.251 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001772292988 1190655272 /nfs/dbraw/zinc/65/52/72/1190655272.db2.gz FWBJZCPCVZOPHC-OCCSQVGLSA-N 1 3 316.405 0.626 20 0 DCADHO O=C(N1CC[C@H]2[C@@H]1CCCN2CCO)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001772315294 1190660980 /nfs/dbraw/zinc/66/09/80/1190660980.db2.gz FDLMDXVGKOHCLH-NBOOPKSLSA-N 1 3 321.465 0.966 20 0 DCADHO O=C(N1CC[C@H]2[C@@H]1CCCN2CCO)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001772316253 1190661362 /nfs/dbraw/zinc/66/13/62/1190661362.db2.gz RCKITOVWMFUOAZ-MPTYRVRUSA-N 1 3 307.438 0.576 20 0 DCADHO COCCN1CCC[C@H]1COC(=O)COC1CC[NH+](C)CC1 ZINC001772386360 1190671249 /nfs/dbraw/zinc/67/12/49/1190671249.db2.gz MOORTIJKBJJZTA-AWEZNQCLSA-N 1 3 314.426 0.751 20 0 DCADHO COCC[N@@H+]1CCO[C@H]2CN(c3cccc(N)n3)CC[C@@H]2C1 ZINC001164854727 720843860 /nfs/dbraw/zinc/84/38/60/720843860.db2.gz RWGMKPZYWLYIKR-KGLIPLIRSA-N 1 3 306.410 0.837 20 0 DCADHO COCC[N@H+]1CCO[C@H]2CN(c3cccc(N)n3)CC[C@@H]2C1 ZINC001164854727 720843861 /nfs/dbraw/zinc/84/38/61/720843861.db2.gz RWGMKPZYWLYIKR-KGLIPLIRSA-N 1 3 306.410 0.837 20 0 DCADHO CCC1(N2CCOCC2)CCN([C@@H]2C[NH2+]CC[C@]2(C)O)CC1 ZINC001577230648 1164645466 /nfs/dbraw/zinc/64/54/66/1164645466.db2.gz UMUKSVVMAIJBQL-CVEARBPZSA-N 1 3 311.470 0.676 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CCCC1 ZINC001127474848 751412670 /nfs/dbraw/zinc/41/26/70/751412670.db2.gz PLTGJNIMNSSZOC-HNNXBMFYSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)CC[N@@H+]1C ZINC001127643560 751601300 /nfs/dbraw/zinc/60/13/00/751601300.db2.gz AMVUUUHKOJVEEV-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)CC[N@H+]1C ZINC001127643560 751601304 /nfs/dbraw/zinc/60/13/04/751601304.db2.gz AMVUUUHKOJVEEV-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001107035873 751782160 /nfs/dbraw/zinc/78/21/60/751782160.db2.gz CNEUTVPDYGECIC-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)C1CCC1 ZINC001107438846 752049099 /nfs/dbraw/zinc/04/90/99/752049099.db2.gz KOGLDDMRHCMSEQ-NVXWUHKLSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)C1CCC1 ZINC001107438846 752049103 /nfs/dbraw/zinc/04/91/03/752049103.db2.gz KOGLDDMRHCMSEQ-NVXWUHKLSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779651 752064924 /nfs/dbraw/zinc/06/49/24/752064924.db2.gz PGWIWPWTLNMMMU-HUUCEWRRSA-N 1 3 304.394 0.151 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779651 752064931 /nfs/dbraw/zinc/06/49/31/752064931.db2.gz PGWIWPWTLNMMMU-HUUCEWRRSA-N 1 3 304.394 0.151 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779504 752064983 /nfs/dbraw/zinc/06/49/83/752064983.db2.gz MMQGHMHDZLHVQR-JKSUJKDBSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779504 752064987 /nfs/dbraw/zinc/06/49/87/752064987.db2.gz MMQGHMHDZLHVQR-JKSUJKDBSA-N 1 3 318.421 0.459 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001167223829 747025655 /nfs/dbraw/zinc/02/56/55/747025655.db2.gz AXMPIPORTSCYIQ-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC)CC1)N(C)C ZINC001167260930 747044837 /nfs/dbraw/zinc/04/48/37/747044837.db2.gz QOOZTFYPWLCIMW-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104287826 747097139 /nfs/dbraw/zinc/09/71/39/747097139.db2.gz LVXXJMDCVOMNMH-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001210811794 747138192 /nfs/dbraw/zinc/13/81/92/747138192.db2.gz RHEVWBPKUDVRLF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161330377 747209148 /nfs/dbraw/zinc/20/91/48/747209148.db2.gz MXCMKHORYSYVJT-MJBXVCDLSA-N 1 3 312.458 0.465 20 0 DCADHO COCC[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561405 747343020 /nfs/dbraw/zinc/34/30/20/747343020.db2.gz BONPBLJPOBQZEC-UHFFFAOYSA-N 1 3 313.442 0.014 20 0 DCADHO COCC[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098561405 747343025 /nfs/dbraw/zinc/34/30/25/747343025.db2.gz BONPBLJPOBQZEC-UHFFFAOYSA-N 1 3 313.442 0.014 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC001100769768 747901069 /nfs/dbraw/zinc/90/10/69/747901069.db2.gz ZSDLCYSALFPAQY-JXQTWKCFSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001087393112 747916665 /nfs/dbraw/zinc/91/66/65/747916665.db2.gz RHIFYJMDZMGQLZ-MHEUCROKSA-N 1 3 304.394 0.113 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087393112 747916671 /nfs/dbraw/zinc/91/66/71/747916671.db2.gz RHIFYJMDZMGQLZ-MHEUCROKSA-N 1 3 304.394 0.113 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064253 748018499 /nfs/dbraw/zinc/01/84/99/748018499.db2.gz FVKLSLGYPZZLPF-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CCNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105321144 748131653 /nfs/dbraw/zinc/13/16/53/748131653.db2.gz WVPBKMNRYZPIBI-UHFFFAOYSA-N 1 3 322.457 0.749 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327158 748137890 /nfs/dbraw/zinc/13/78/90/748137890.db2.gz UKUWOSAYVVRBMV-ZDUSSCGKSA-N 1 3 320.441 0.503 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327158 748137895 /nfs/dbraw/zinc/13/78/95/748137895.db2.gz UKUWOSAYVVRBMV-ZDUSSCGKSA-N 1 3 320.441 0.503 20 0 DCADHO CC[C@@H](C(=O)N1CC(n2cc(C[NH2+]CC(C)C)nn2)C1)N(C)C ZINC001105328478 748138168 /nfs/dbraw/zinc/13/81/68/748138168.db2.gz GWRUKDXNASNIEU-HNNXBMFYSA-N 1 3 322.457 0.747 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360643 748481336 /nfs/dbraw/zinc/48/13/36/748481336.db2.gz DQCVETXLXDEIAE-UHFFFAOYSA-N 1 3 318.425 0.257 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372403 748637416 /nfs/dbraw/zinc/63/74/16/748637416.db2.gz DZLMEVFGOZOKHC-LBPRGKRZSA-N 1 3 306.414 0.113 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372403 748637420 /nfs/dbraw/zinc/63/74/20/748637420.db2.gz DZLMEVFGOZOKHC-LBPRGKRZSA-N 1 3 306.414 0.113 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)N(C)C2CC2)CC1 ZINC001203437256 748866298 /nfs/dbraw/zinc/86/62/98/748866298.db2.gz IQAFDZMAEUFHSW-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992115 749179492 /nfs/dbraw/zinc/17/94/92/749179492.db2.gz DUKHHHREUGCMNU-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992115 749179495 /nfs/dbraw/zinc/17/94/95/749179495.db2.gz DUKHHHREUGCMNU-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086558863 761931453 /nfs/dbraw/zinc/93/14/53/761931453.db2.gz XWKOQAXAWSRVPH-AAVRWANBSA-N 1 3 310.442 0.219 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)C1 ZINC001088107185 749241103 /nfs/dbraw/zinc/24/11/03/749241103.db2.gz LKOUMQZTJLEVID-CABCVRRESA-N 1 3 309.454 0.491 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)C1 ZINC001088107185 749241109 /nfs/dbraw/zinc/24/11/09/749241109.db2.gz LKOUMQZTJLEVID-CABCVRRESA-N 1 3 309.454 0.491 20 0 DCADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001088315097 749364767 /nfs/dbraw/zinc/36/47/67/749364767.db2.gz OESACZMLWXXMKA-HUUCEWRRSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001088382340 749411851 /nfs/dbraw/zinc/41/18/51/749411851.db2.gz ZFIGUKWZYGRVTC-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CNC(=O)CNCCNC(=O)OC(C)(C)C)[NH+](C)C ZINC001579398994 1165299071 /nfs/dbraw/zinc/29/90/71/1165299071.db2.gz UPLGTHBYBPHZTL-NSHDSACASA-N 1 3 302.419 0.167 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001077507419 750875050 /nfs/dbraw/zinc/87/50/50/750875050.db2.gz IRJMFYZGDXNVKI-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255349 750936669 /nfs/dbraw/zinc/93/66/69/750936669.db2.gz IVPCHDIKBQIATJ-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255349 750936673 /nfs/dbraw/zinc/93/66/73/750936673.db2.gz IVPCHDIKBQIATJ-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247324 751063216 /nfs/dbraw/zinc/06/32/16/751063216.db2.gz WZUICRFAOZTNGX-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1)N(C)C ZINC001106312314 751107019 /nfs/dbraw/zinc/10/70/19/751107019.db2.gz BQFGFSXIYYNWKD-BZUAXINKSA-N 1 3 321.469 0.907 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001127343882 751156344 /nfs/dbraw/zinc/15/63/44/751156344.db2.gz CKUQSSCCZDQGKY-DZGCQCFKSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001127343882 751156346 /nfs/dbraw/zinc/15/63/46/751156346.db2.gz CKUQSSCCZDQGKY-DZGCQCFKSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC001044857039 752903636 /nfs/dbraw/zinc/90/36/36/752903636.db2.gz DPXCSXMUPAPTMH-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001045070525 753032614 /nfs/dbraw/zinc/03/26/14/753032614.db2.gz JMJAXIAOMFIFCO-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001078200466 753118995 /nfs/dbraw/zinc/11/89/95/753118995.db2.gz ZOBVGLRGRQNXTC-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045310464 753140276 /nfs/dbraw/zinc/14/02/76/753140276.db2.gz NBCJZHPZADWTMU-INIZCTEOSA-N 1 3 319.453 0.905 20 0 DCADHO C[C@H](O)CN1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046694204 753878017 /nfs/dbraw/zinc/87/80/17/753878017.db2.gz FFRSDIQVNGBVBV-XJKSGUPXSA-N 1 3 323.441 0.020 20 0 DCADHO Cn1cc(CCN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001046831377 753965812 /nfs/dbraw/zinc/96/58/12/753965812.db2.gz KFINCOBJZXJYDX-RDJZCZTQSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001046831377 753965815 /nfs/dbraw/zinc/96/58/15/753965815.db2.gz KFINCOBJZXJYDX-RDJZCZTQSA-N 1 3 319.453 0.495 20 0 DCADHO CN1CCN(C(=N)Nc2ncc(F)c(C3CC[NH2+]CC3)n2)CC1 ZINC001168735436 753968042 /nfs/dbraw/zinc/96/80/42/753968042.db2.gz PCPUPDYVQZGPEF-UHFFFAOYSA-N 1 3 321.404 0.677 20 0 DCADHO C[C@@]1(C[NH2+][C@@H]2CCCNC2=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001046903470 754011929 /nfs/dbraw/zinc/01/19/29/754011929.db2.gz QUPBDAXMRORMLD-CJNGLKHVSA-N 1 3 319.409 0.059 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2)N1CCCC1 ZINC001047123522 754095649 /nfs/dbraw/zinc/09/56/49/754095649.db2.gz SKRZHASGGUAUGY-KKUMJFAQSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2)N1CCCC1 ZINC001047123522 754095658 /nfs/dbraw/zinc/09/56/58/754095658.db2.gz SKRZHASGGUAUGY-KKUMJFAQSA-N 1 3 309.454 0.822 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001128774166 754271388 /nfs/dbraw/zinc/27/13/88/754271388.db2.gz NIMICLVUGOIEIX-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001128774166 754271392 /nfs/dbraw/zinc/27/13/92/754271392.db2.gz NIMICLVUGOIEIX-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(OC)nn1 ZINC001168756463 754443461 /nfs/dbraw/zinc/44/34/61/754443461.db2.gz ZIDCKFDFUQHGNY-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860145 754982771 /nfs/dbraw/zinc/98/27/71/754982771.db2.gz INWMWSINYMDIKB-HZSPNIEDSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860145 754982774 /nfs/dbraw/zinc/98/27/74/754982774.db2.gz INWMWSINYMDIKB-HZSPNIEDSA-N 1 3 322.453 0.125 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057090 755095150 /nfs/dbraw/zinc/09/51/50/755095150.db2.gz LKLWQLMPTSBDLW-FPCVCCKLSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057090 755095155 /nfs/dbraw/zinc/09/51/55/755095155.db2.gz LKLWQLMPTSBDLW-FPCVCCKLSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001063100625 755104987 /nfs/dbraw/zinc/10/49/87/755104987.db2.gz NOUBBJOQJUSRAX-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001063100625 755104991 /nfs/dbraw/zinc/10/49/91/755104991.db2.gz NOUBBJOQJUSRAX-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763872 755364444 /nfs/dbraw/zinc/36/44/44/755364444.db2.gz RUTJFKDBYBSPAK-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908172 755449589 /nfs/dbraw/zinc/44/95/89/755449589.db2.gz VTNOREWLTVBXLC-CVEARBPZSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079807181 756016314 /nfs/dbraw/zinc/01/63/14/756016314.db2.gz MQQYQLXYJIQWAH-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C[C@@H]1C ZINC001118515461 756228676 /nfs/dbraw/zinc/22/86/76/756228676.db2.gz PLEFHWSBEKBBGF-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C[C@@H]1C ZINC001118515461 756228679 /nfs/dbraw/zinc/22/86/79/756228679.db2.gz PLEFHWSBEKBBGF-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001054296471 756426425 /nfs/dbraw/zinc/42/64/25/756426425.db2.gz KMDADEJEYZBWIZ-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054738515 756623243 /nfs/dbraw/zinc/62/32/43/756623243.db2.gz QRIPYSDAEZBHCG-KBPBESRZSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCn1cncn1 ZINC001082559999 757186224 /nfs/dbraw/zinc/18/62/24/757186224.db2.gz WOGQKXDPNUJCKH-YUELXQCFSA-N 1 3 320.441 0.055 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001082589032 757195886 /nfs/dbraw/zinc/19/58/86/757195886.db2.gz DVBVAWPGWDMVOT-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC001082766749 757262025 /nfs/dbraw/zinc/26/20/25/757262025.db2.gz WUYCLPNKDFAZCA-VHDGCEQUSA-N 1 3 306.410 0.958 20 0 DCADHO COCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608736 757929855 /nfs/dbraw/zinc/92/98/55/757929855.db2.gz JHQNBHVFNITZJD-CAOSSQGBSA-N 1 3 309.454 0.896 20 0 DCADHO COCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608736 757929862 /nfs/dbraw/zinc/92/98/62/757929862.db2.gz JHQNBHVFNITZJD-CAOSSQGBSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050662677 757942084 /nfs/dbraw/zinc/94/20/84/757942084.db2.gz MABJOTYOPQNIOB-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO COC(=O)Cc1cc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])ccn1 ZINC001170281617 762600844 /nfs/dbraw/zinc/60/08/44/762600844.db2.gz GKLHMCUEDHDMLU-IIAWOOMASA-N 1 3 323.393 0.934 20 0 DCADHO CN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC001051348532 758587490 /nfs/dbraw/zinc/58/74/90/758587490.db2.gz CBEMJYFKQQGURP-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3cccnc3)C2)C1 ZINC001051930188 759042242 /nfs/dbraw/zinc/04/22/42/759042242.db2.gz JTTOHSOUKCBAOP-JKSUJKDBSA-N 1 3 318.421 0.350 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCc3cccnc3)C2)C1 ZINC001051930188 759042252 /nfs/dbraw/zinc/04/22/52/759042252.db2.gz JTTOHSOUKCBAOP-JKSUJKDBSA-N 1 3 318.421 0.350 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001052042561 759136817 /nfs/dbraw/zinc/13/68/17/759136817.db2.gz DHKYIFKAKLMUNT-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073562 759160114 /nfs/dbraw/zinc/16/01/14/759160114.db2.gz IZKDJRSGLRGAKE-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001147825667 767852965 /nfs/dbraw/zinc/85/29/65/767852965.db2.gz PYSXIVSQIDWYMF-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001147825085 767853211 /nfs/dbraw/zinc/85/32/11/767853211.db2.gz NZXHFXMYOUPFHB-OCCSQVGLSA-N 1 3 310.442 0.091 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001147885840 767861431 /nfs/dbraw/zinc/86/14/31/767861431.db2.gz PNAUNMYCNHAFCZ-CYBMUJFWSA-N 1 3 312.458 0.196 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001147885840 767861439 /nfs/dbraw/zinc/86/14/39/767861439.db2.gz PNAUNMYCNHAFCZ-CYBMUJFWSA-N 1 3 312.458 0.196 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147900269 767879985 /nfs/dbraw/zinc/87/99/85/767879985.db2.gz LDOKCKIMLWNPMD-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147900269 767879990 /nfs/dbraw/zinc/87/99/90/767879990.db2.gz LDOKCKIMLWNPMD-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccn2ncnc2c1 ZINC001155593446 759977967 /nfs/dbraw/zinc/97/79/67/759977967.db2.gz ASIATVAUCJPJJP-UHFFFAOYSA-N 1 3 303.370 0.407 20 0 DCADHO C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315123 767968277 /nfs/dbraw/zinc/96/82/77/767968277.db2.gz CJQAHSCWZZEDFA-AWEZNQCLSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315123 767968280 /nfs/dbraw/zinc/96/82/80/767968280.db2.gz CJQAHSCWZZEDFA-AWEZNQCLSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)CCC1 ZINC001129356782 761002663 /nfs/dbraw/zinc/00/26/63/761002663.db2.gz HXHPKKQPMSKYPD-SNVBAGLBSA-N 1 3 311.348 0.490 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)CCC1 ZINC001129364527 761054321 /nfs/dbraw/zinc/05/43/21/761054321.db2.gz WKZSDGUKCJOSDU-AWEZNQCLSA-N 1 3 313.442 0.372 20 0 DCADHO CC[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060153 761064854 /nfs/dbraw/zinc/06/48/54/761064854.db2.gz HFOINHXKMNQRJL-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO CC[N@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060153 761064862 /nfs/dbraw/zinc/06/48/62/761064862.db2.gz HFOINHXKMNQRJL-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO CCN1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060153 761064870 /nfs/dbraw/zinc/06/48/70/761064870.db2.gz HFOINHXKMNQRJL-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070505997 761281367 /nfs/dbraw/zinc/28/13/67/761281367.db2.gz SLQBFSRFVBSYEU-NWANDNLSSA-N 1 3 307.442 0.664 20 0 DCADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1)C1CCC1 ZINC001091740763 768025598 /nfs/dbraw/zinc/02/55/98/768025598.db2.gz GWYBPTNPTQKPTM-PBHICJAKSA-N 1 3 309.454 0.633 20 0 DCADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1)C1CCC1 ZINC001091740763 768025601 /nfs/dbraw/zinc/02/56/01/768025601.db2.gz GWYBPTNPTQKPTM-PBHICJAKSA-N 1 3 309.454 0.633 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCCOC)C[C@H]1O ZINC001099895174 768033354 /nfs/dbraw/zinc/03/33/54/768033354.db2.gz VOHGTADAEAMRQT-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001099895174 768033358 /nfs/dbraw/zinc/03/33/58/768033358.db2.gz VOHGTADAEAMRQT-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC ZINC001109932883 761610395 /nfs/dbraw/zinc/61/03/95/761610395.db2.gz XLXKWGPQPFOMLI-KBXIAJHMSA-N 1 3 313.442 0.057 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC ZINC001109932883 761610399 /nfs/dbraw/zinc/61/03/99/761610399.db2.gz XLXKWGPQPFOMLI-KBXIAJHMSA-N 1 3 313.442 0.057 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071255930 761746796 /nfs/dbraw/zinc/74/67/96/761746796.db2.gz AGKPMQAQXDVIJF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001071256407 761748020 /nfs/dbraw/zinc/74/80/20/761748020.db2.gz WJOQVGNCIOCSPG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO COc1coc(CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)cc1=O ZINC001129449609 762938290 /nfs/dbraw/zinc/93/82/90/762938290.db2.gz QEAXXBIKXDPCSR-OAHLLOKOSA-N 1 3 323.393 0.194 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535054 762960158 /nfs/dbraw/zinc/96/01/58/762960158.db2.gz HPMQRIXAFLHBPT-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129842063 763023427 /nfs/dbraw/zinc/02/34/27/763023427.db2.gz SHFGSAROZPNMQQ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842063 763023433 /nfs/dbraw/zinc/02/34/33/763023433.db2.gz SHFGSAROZPNMQQ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129855514 763024614 /nfs/dbraw/zinc/02/46/14/763024614.db2.gz GQQBSHJYKDVHFB-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129855514 763024623 /nfs/dbraw/zinc/02/46/23/763024623.db2.gz GQQBSHJYKDVHFB-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O)[NH+](C)C ZINC001129949426 763054996 /nfs/dbraw/zinc/05/49/96/763054996.db2.gz CYSHZJOSICUTHU-KGLIPLIRSA-N 1 3 312.458 0.288 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CCCF)C[C@H]2O)CC1 ZINC001099972085 763176789 /nfs/dbraw/zinc/17/67/89/763176789.db2.gz RAGSWSYCIYRADI-QWHCGFSZSA-N 1 3 301.406 0.239 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421802 763293862 /nfs/dbraw/zinc/29/38/62/763293862.db2.gz JWIPSOAGPVJAJC-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421802 763293869 /nfs/dbraw/zinc/29/38/69/763293869.db2.gz JWIPSOAGPVJAJC-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001100405738 763554953 /nfs/dbraw/zinc/55/49/53/763554953.db2.gz KXUKHWZJNQCDEQ-RUXDESIVSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001100408063 763557290 /nfs/dbraw/zinc/55/72/90/763557290.db2.gz TVGXIILIJXEKCW-HFLCMSJXSA-N 1 3 322.453 0.090 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001100426571 763571196 /nfs/dbraw/zinc/57/11/96/763571196.db2.gz OUNBPFNFTXUFKG-PXCJXSSVSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2cncn2C)C1)N(C)C ZINC001100651989 763703196 /nfs/dbraw/zinc/70/31/96/763703196.db2.gz SOMGTGUDKKZJCO-ZBCRRDGASA-N 1 3 321.469 0.991 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2cnnn2C)C1 ZINC001100676150 763717408 /nfs/dbraw/zinc/71/74/08/763717408.db2.gz ILMRQWNDNXRUNT-IYXRBSQSSA-N 1 3 320.441 0.284 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001100683487 763722781 /nfs/dbraw/zinc/72/27/81/763722781.db2.gz DNINJKQAKIOQNM-NRXISQOPSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001100683848 763723667 /nfs/dbraw/zinc/72/36/67/763723667.db2.gz VBXDTOCLGQFWCE-YIZWMMSDSA-N 1 3 308.430 0.140 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001100904882 763849855 /nfs/dbraw/zinc/84/98/55/763849855.db2.gz MOXYSIDTFWRNFP-JXQTWKCFSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001101039312 763932872 /nfs/dbraw/zinc/93/28/72/763932872.db2.gz GIJITEHQSVFMFZ-UHFFFAOYSA-N 1 3 310.442 0.090 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131790536 764014145 /nfs/dbraw/zinc/01/41/45/764014145.db2.gz PALMPSDIACXPSM-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790430 764014503 /nfs/dbraw/zinc/01/45/03/764014503.db2.gz NKOXBJDVPKUOJZ-XJKSGUPXSA-N 1 3 324.469 0.481 20 0 DCADHO Cn1nccc1CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131835625 764071547 /nfs/dbraw/zinc/07/15/47/764071547.db2.gz ZZNBTWLGRHOUSJ-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CN1CCO ZINC001132140575 764268690 /nfs/dbraw/zinc/26/86/90/764268690.db2.gz JFDSTRSDICUGCC-LSDHHAIUSA-N 1 3 320.437 0.869 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479119 764470996 /nfs/dbraw/zinc/47/09/96/764470996.db2.gz SQGPLUQPKWWCKY-CQSZACIVSA-N 1 3 315.433 0.726 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479119 764470998 /nfs/dbraw/zinc/47/09/98/764470998.db2.gz SQGPLUQPKWWCKY-CQSZACIVSA-N 1 3 315.433 0.726 20 0 DCADHO C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292342 764580964 /nfs/dbraw/zinc/58/09/64/764580964.db2.gz KDKYNGICJBFTFR-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)NC2CC2)C1 ZINC001132743229 764619915 /nfs/dbraw/zinc/61/99/15/764619915.db2.gz ZEODHWSCGFPLEU-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)NC2CC2)C1 ZINC001132743229 764619925 /nfs/dbraw/zinc/61/99/25/764619925.db2.gz ZEODHWSCGFPLEU-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086695484 764668116 /nfs/dbraw/zinc/66/81/16/764668116.db2.gz SLZKUIHEDUSEFW-MJBXVCDLSA-N 1 3 310.442 0.219 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102525150 764679466 /nfs/dbraw/zinc/67/94/66/764679466.db2.gz NJPPZBLJGQNRBL-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102525150 764679476 /nfs/dbraw/zinc/67/94/76/764679476.db2.gz NJPPZBLJGQNRBL-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)c2cnccn2)C1 ZINC001132849020 764691143 /nfs/dbraw/zinc/69/11/43/764691143.db2.gz ZBYPOEMOHHKZFZ-UKRRQHHQSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCCO ZINC001132892744 764711546 /nfs/dbraw/zinc/71/15/46/764711546.db2.gz ISIPEENELMHJFA-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051805 764802973 /nfs/dbraw/zinc/80/29/73/764802973.db2.gz PLVCNRIBLMKZOZ-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001133091730 764823185 /nfs/dbraw/zinc/82/31/85/764823185.db2.gz UWJBTMGWJKQNHC-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1CCCCC1 ZINC001133290997 764908397 /nfs/dbraw/zinc/90/83/97/764908397.db2.gz HDJHGZZQMWFNAQ-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H]1C[C@H](C)CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1 ZINC001133291679 764910098 /nfs/dbraw/zinc/91/00/98/764910098.db2.gz VXSQUWJOLGVSQN-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)N[C@@H](C)C(C)C)[NH+](C)C ZINC001133415967 764957419 /nfs/dbraw/zinc/95/74/19/764957419.db2.gz WYDLBPHPUHGXGV-DZGCQCFKSA-N 1 3 314.474 0.439 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001133433707 764966586 /nfs/dbraw/zinc/96/65/86/764966586.db2.gz AMUBOOOPQWVFID-TZMCWYRMSA-N 1 3 308.430 0.057 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCCO)C[C@H]2C)C1 ZINC001103435963 765054309 /nfs/dbraw/zinc/05/43/09/765054309.db2.gz GCOGWAYGYBEQBV-ARFHVFGLSA-N 1 3 311.470 0.785 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCCO)C[C@H]2C)C1 ZINC001103435963 765054319 /nfs/dbraw/zinc/05/43/19/765054319.db2.gz GCOGWAYGYBEQBV-ARFHVFGLSA-N 1 3 311.470 0.785 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684705 765092084 /nfs/dbraw/zinc/09/20/84/765092084.db2.gz LNUFIJWTHIRNOK-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103718989 765111600 /nfs/dbraw/zinc/11/16/00/765111600.db2.gz MTGZDRXHLKECMJ-KFWWJZLASA-N 1 3 324.469 0.148 20 0 DCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103718989 765111604 /nfs/dbraw/zinc/11/16/04/765111604.db2.gz MTGZDRXHLKECMJ-KFWWJZLASA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001133820013 765150740 /nfs/dbraw/zinc/15/07/40/765150740.db2.gz VRRYIDULWILXIR-GHMZBOCLSA-N 1 3 311.348 0.490 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001133823721 765154981 /nfs/dbraw/zinc/15/49/81/765154981.db2.gz MQIONBQVDAAGEP-GJZGRUSLSA-N 1 3 313.442 0.372 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001133824027 765167832 /nfs/dbraw/zinc/16/78/32/765167832.db2.gz WCVJCYVPIOWXFE-LBPRGKRZSA-N 1 3 313.833 0.727 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCn2cc(Cl)cn2)C1 ZINC001133845810 765178599 /nfs/dbraw/zinc/17/85/99/765178599.db2.gz NRJHFEURCRTDQI-GFCCVEGCSA-N 1 3 313.833 0.584 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849772 765181269 /nfs/dbraw/zinc/18/12/69/765181269.db2.gz DHGCVYDZHHLPMR-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849772 765181272 /nfs/dbraw/zinc/18/12/72/765181272.db2.gz DHGCVYDZHHLPMR-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133866545 765191336 /nfs/dbraw/zinc/19/13/36/765191336.db2.gz MSQQCAJVFVFOIK-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133866545 765191339 /nfs/dbraw/zinc/19/13/39/765191339.db2.gz MSQQCAJVFVFOIK-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133869522 765195507 /nfs/dbraw/zinc/19/55/07/765195507.db2.gz FYXUKDXOLRZXHV-DOMZBBRYSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133869522 765195510 /nfs/dbraw/zinc/19/55/10/765195510.db2.gz FYXUKDXOLRZXHV-DOMZBBRYSA-N 1 3 318.421 0.189 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968310 765260435 /nfs/dbraw/zinc/26/04/35/765260435.db2.gz VEBDVOIZCTVBSY-JSGCOSHPSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001133965990 765259043 /nfs/dbraw/zinc/25/90/43/765259043.db2.gz SKTAAFHTRKTIGD-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C(N)C(F)(F)F)C1 ZINC001159134738 765458329 /nfs/dbraw/zinc/45/83/29/765458329.db2.gz OWRQPPONGMQBHW-MWLCHTKSSA-N 1 3 319.331 0.293 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCO)C2)CCC1 ZINC001112397219 765523798 /nfs/dbraw/zinc/52/37/98/765523798.db2.gz XKJQPTGHKYKGSY-HOCLYGCPSA-N 1 3 309.454 0.681 20 0 DCADHO CCN(C(=O)CNCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001134782413 765673124 /nfs/dbraw/zinc/67/31/24/765673124.db2.gz FSTASNHYOXUKBU-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC1CCCC1 ZINC001124867199 768317761 /nfs/dbraw/zinc/31/77/61/768317761.db2.gz TYHRNOFXTPOAPG-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO OC[C@@H]1C[NH2+]C[C@@H]1Nc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001170779000 765730327 /nfs/dbraw/zinc/73/03/27/765730327.db2.gz ONFMHQISGDTMHV-MJBXVCDLSA-N 1 3 303.410 0.278 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866407 768316434 /nfs/dbraw/zinc/31/64/34/768316434.db2.gz BRONLKOSJZKEMI-TZMCWYRMSA-N 1 3 312.458 0.480 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NCCNCC(=O)N2CCC2)cc1 ZINC001135340574 765888615 /nfs/dbraw/zinc/88/86/15/765888615.db2.gz DDOOFHZZBIQKOR-UHFFFAOYSA-N 1 3 318.421 0.300 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135476174 765950503 /nfs/dbraw/zinc/95/05/03/765950503.db2.gz ITPIBHRPYDOZOP-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001135743274 766085421 /nfs/dbraw/zinc/08/54/21/766085421.db2.gz HSCRBXNEKXCYOF-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCOC ZINC001135980763 766193675 /nfs/dbraw/zinc/19/36/75/766193675.db2.gz SDYBGPGLAPZOCI-GJZGRUSLSA-N 1 3 317.474 0.864 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001135980521 766194028 /nfs/dbraw/zinc/19/40/28/766194028.db2.gz PKFMLPVUMMMQHL-KBPBESRZSA-N 1 3 310.446 0.493 20 0 DCADHO COc1cc(CN2CCOCC2)ccc1N[C@@H](N)CCC[NH3+] ZINC001170902491 766251448 /nfs/dbraw/zinc/25/14/48/766251448.db2.gz DLVXAARATZOWII-MRXNPFEDSA-N 1 3 308.426 0.963 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001160003041 766338945 /nfs/dbraw/zinc/33/89/45/766338945.db2.gz AXNHGNZVOLOWGC-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)=CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731552 766528577 /nfs/dbraw/zinc/52/85/77/766528577.db2.gz SPBAVFPIXUUDNN-GJZGRUSLSA-N 1 3 307.438 0.600 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001160688430 767018133 /nfs/dbraw/zinc/01/81/33/767018133.db2.gz CEVUTOZPITVMPK-LBPRGKRZSA-N 1 3 311.817 0.450 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001171225908 767049877 /nfs/dbraw/zinc/04/98/77/767049877.db2.gz AZLYNRZBLGIYJG-AWEZNQCLSA-N 1 3 319.453 0.767 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001171225908 767049887 /nfs/dbraw/zinc/04/98/87/767049887.db2.gz AZLYNRZBLGIYJG-AWEZNQCLSA-N 1 3 319.453 0.767 20 0 DCADHO Cc1nocc1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091365752 767213540 /nfs/dbraw/zinc/21/35/40/767213540.db2.gz YYWSRRPPISMDMP-JVWICGRDSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091365752 767213545 /nfs/dbraw/zinc/21/35/45/767213545.db2.gz YYWSRRPPISMDMP-JVWICGRDSA-N 1 3 306.410 0.919 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(n2cccn2)CC1 ZINC001160846847 767352668 /nfs/dbraw/zinc/35/26/68/767352668.db2.gz YYTRSFJZVUVTKT-HNNXBMFYSA-N 1 3 317.437 0.921 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(n2cccn2)CC1 ZINC001160846847 767352673 /nfs/dbraw/zinc/35/26/73/767352673.db2.gz YYTRSFJZVUVTKT-HNNXBMFYSA-N 1 3 317.437 0.921 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001146591521 767485465 /nfs/dbraw/zinc/48/54/65/767485465.db2.gz HJXARDLNIYQSJB-OLZOCXBDSA-N 1 3 310.446 0.528 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146710265 767509505 /nfs/dbraw/zinc/50/95/05/767509505.db2.gz ILVLRYSMJFUJCV-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146710265 767509508 /nfs/dbraw/zinc/50/95/08/767509508.db2.gz ILVLRYSMJFUJCV-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333763 767712084 /nfs/dbraw/zinc/71/20/84/767712084.db2.gz XZZIYLFPDSYUDS-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001147359914 767724622 /nfs/dbraw/zinc/72/46/22/767724622.db2.gz WVEAJXWMPGKNMX-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001147359914 767724627 /nfs/dbraw/zinc/72/46/27/767724627.db2.gz WVEAJXWMPGKNMX-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCN[C@H](C)C(=O)NC ZINC001147449094 767756931 /nfs/dbraw/zinc/75/69/31/767756931.db2.gz IKTIGWWWBIPCEX-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093194331 768483942 /nfs/dbraw/zinc/48/39/42/768483942.db2.gz XZFDWSRLSIVOOG-RBSFLKMASA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(Cc2cncn2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093194331 768483946 /nfs/dbraw/zinc/48/39/46/768483946.db2.gz XZFDWSRLSIVOOG-RBSFLKMASA-N 1 3 319.453 0.556 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203035681 768528999 /nfs/dbraw/zinc/52/89/99/768528999.db2.gz FNDCSWOKWMHYGT-UONOGXRCSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001093673826 768687552 /nfs/dbraw/zinc/68/75/52/768687552.db2.gz ZFLNKFBRINEBCV-KFWWJZLASA-N 1 3 319.453 0.698 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001161227317 768702547 /nfs/dbraw/zinc/70/25/47/768702547.db2.gz YSSQCNYRSCKEOW-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc2nonc2c1 ZINC001149432701 768750067 /nfs/dbraw/zinc/75/00/67/768750067.db2.gz GJVPAEHNFOULCV-UHFFFAOYSA-N 1 3 304.354 0.900 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1)N(C)C ZINC001093859262 768752834 /nfs/dbraw/zinc/75/28/34/768752834.db2.gz QKYNKLLVHJGDQO-IIAWOOMASA-N 1 3 321.469 0.944 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@H]1C[N@H+](CCCF)CCCO1)C1CC1 ZINC001149847380 768819698 /nfs/dbraw/zinc/81/96/98/768819698.db2.gz DPWXHNHJKMMCTI-LSDHHAIUSA-N 1 3 315.433 0.893 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1)C1CC1 ZINC001149847380 768819711 /nfs/dbraw/zinc/81/97/11/768819711.db2.gz DPWXHNHJKMMCTI-LSDHHAIUSA-N 1 3 315.433 0.893 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)[nH]1 ZINC001094219810 768886581 /nfs/dbraw/zinc/88/65/81/768886581.db2.gz RNELRTYTMWVCTC-KWCYVHTRSA-N 1 3 320.441 0.249 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)[nH]1 ZINC001094219810 768886593 /nfs/dbraw/zinc/88/65/93/768886593.db2.gz RNELRTYTMWVCTC-KWCYVHTRSA-N 1 3 320.441 0.249 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881340 768897984 /nfs/dbraw/zinc/89/79/84/768897984.db2.gz LGPQDQQDJYASMC-GJZGRUSLSA-N 1 3 315.458 0.426 20 0 DCADHO COC[C@H](C)N1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242518 769044923 /nfs/dbraw/zinc/04/49/23/769044923.db2.gz YXTNXPKGFMKXSR-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)OC)CCCO1 ZINC001150546835 769120857 /nfs/dbraw/zinc/12/08/57/769120857.db2.gz JWHDZAXHCNZCIE-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)OC)CCCO1 ZINC001150546835 769120862 /nfs/dbraw/zinc/12/08/62/769120862.db2.gz JWHDZAXHCNZCIE-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)COC)CCCO1 ZINC001150626785 769144882 /nfs/dbraw/zinc/14/48/82/769144882.db2.gz YWDJAOVFADCBEA-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)COC)CCCO1 ZINC001150626785 769144886 /nfs/dbraw/zinc/14/48/86/769144886.db2.gz YWDJAOVFADCBEA-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150777006 769185127 /nfs/dbraw/zinc/18/51/27/769185127.db2.gz BYTRWBHGJZIKAZ-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO CO[C@@H](C)C[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150777006 769185131 /nfs/dbraw/zinc/18/51/31/769185131.db2.gz BYTRWBHGJZIKAZ-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO Cc1nocc1C[NH2+]CCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151158601 769278657 /nfs/dbraw/zinc/27/86/57/769278657.db2.gz PUXIUZZCXNSXLM-GFCCVEGCSA-N 1 3 310.398 0.157 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC ZINC001171586333 769316645 /nfs/dbraw/zinc/31/66/45/769316645.db2.gz LXUANANOCMKTOP-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO COc1cncc(CNCCCNC(=O)CCCC[NH+](C)C)n1 ZINC001171578774 769323217 /nfs/dbraw/zinc/32/32/17/769323217.db2.gz IFFKPDDEOCIPEO-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCCNCc1ccc(OC)nn1 ZINC001171725800 769358387 /nfs/dbraw/zinc/35/83/87/769358387.db2.gz RDWZNPCZCWUODG-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1ccc(OC)nn1 ZINC001171725800 769358400 /nfs/dbraw/zinc/35/84/00/769358400.db2.gz RDWZNPCZCWUODG-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)CN(C)CCC ZINC001171762432 769370337 /nfs/dbraw/zinc/37/03/37/769370337.db2.gz DNAGGEKXKPEYGL-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001171762578 769370060 /nfs/dbraw/zinc/37/00/60/769370060.db2.gz GVDXAAUUSXYCQJ-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)CCC ZINC001171769790 769371815 /nfs/dbraw/zinc/37/18/15/769371815.db2.gz FKGXHFWBOWZGME-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)N1CCN(CC[NH2+]C2C[C@@H]3COC[C@H](C2)N3C)CC1 ZINC001172125740 769429574 /nfs/dbraw/zinc/42/95/74/769429574.db2.gz BJBZFOSFCBJIRF-ALOPSCKCSA-N 1 3 310.486 0.464 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001152452180 769562369 /nfs/dbraw/zinc/56/23/69/769562369.db2.gz VVNKCPWYSLVHEG-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001152451701 769562806 /nfs/dbraw/zinc/56/28/06/769562806.db2.gz DRENZXJDAPCLKY-HNNXBMFYSA-N 1 3 322.457 0.475 20 0 DCADHO COC(=O)[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C(=O)OC ZINC001173567245 769661103 /nfs/dbraw/zinc/66/11/03/769661103.db2.gz XYJKHBPCOJNTIR-FQUUOJAGSA-N 1 3 312.410 0.659 20 0 DCADHO COC(=O)[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C(=O)OC ZINC001173567245 769661112 /nfs/dbraw/zinc/66/11/12/769661112.db2.gz XYJKHBPCOJNTIR-FQUUOJAGSA-N 1 3 312.410 0.659 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCOCCO ZINC001175766932 769959001 /nfs/dbraw/zinc/95/90/01/769959001.db2.gz CEDXFXQMQPTDQA-HNNXBMFYSA-N 1 3 317.474 0.602 20 0 DCADHO COC(=O)[C@@H](N)C1CC[NH+](C[C@H](N)Cc2ccccc2)CC1 ZINC001236066400 769978229 /nfs/dbraw/zinc/97/82/29/769978229.db2.gz GVQUSJUPTNKNTG-CVEARBPZSA-N 1 3 305.422 0.769 20 0 DCADHO OC1([C@@H]2CCCC[NH2+]2)CN(Cc2nc3c(s2)CNCC3)C1 ZINC001236165064 769980914 /nfs/dbraw/zinc/98/09/14/769980914.db2.gz HUUMVSYORQWNNF-ZDUSSCGKSA-N 1 3 308.451 0.478 20 0 DCADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc([O-])c1F ZINC001236311421 769994626 /nfs/dbraw/zinc/99/46/26/769994626.db2.gz IUNCIHIAOODBJP-UHFFFAOYSA-N 1 3 312.389 0.147 20 0 DCADHO COC(=O)[C@H]1CN(C[C@H]2[C@@H](C)CNCC2(F)F)CC[C@@H]1[NH3+] ZINC001236411684 770008713 /nfs/dbraw/zinc/00/87/13/770008713.db2.gz PHJYESNWQXJLOF-BJDJZHNGSA-N 1 3 305.369 0.299 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1ccc3n1CCNC3)CC2 ZINC001237062583 770032472 /nfs/dbraw/zinc/03/24/72/770032472.db2.gz NOHIYLGPVMHECD-DOTOQJQBSA-N 1 3 318.421 0.318 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)[N-]c1cnn([C@H]2CC[NH2+]C2)c1 ZINC001237549175 770052710 /nfs/dbraw/zinc/05/27/10/770052710.db2.gz NCWQYZZUYRKEHD-ZDUSSCGKSA-N 1 3 313.427 0.159 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350510 770092458 /nfs/dbraw/zinc/09/24/58/770092458.db2.gz FZZYAMVJJUYVRD-DGCLKSJQSA-N 1 3 323.441 0.660 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001176350410 770092612 /nfs/dbraw/zinc/09/26/12/770092612.db2.gz DDOZBCRKCNOOTR-JQWIXIFHSA-N 1 3 309.414 0.399 20 0 DCADHO Cc1ccnc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238243223 770108806 /nfs/dbraw/zinc/10/88/06/770108806.db2.gz SNGBHIZGEPJGIK-ZDUSSCGKSA-N 1 3 324.450 0.543 20 0 DCADHO O=S(=O)(CC1CCC1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238241885 770108922 /nfs/dbraw/zinc/10/89/22/770108922.db2.gz MPVGJBMJIFJEHU-ZDUSSCGKSA-N 1 3 301.456 0.580 20 0 DCADHO O=S(=O)(CC1CCC1)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238241885 770108928 /nfs/dbraw/zinc/10/89/28/770108928.db2.gz MPVGJBMJIFJEHU-ZDUSSCGKSA-N 1 3 301.456 0.580 20 0 DCADHO NCCS(=O)(=O)N[C@@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001238833379 770134441 /nfs/dbraw/zinc/13/44/41/770134441.db2.gz BINWNUHSYVEMEY-CQSZACIVSA-N 1 3 315.414 0.745 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)Cc1c(F)cccc1F ZINC001238878687 770139857 /nfs/dbraw/zinc/13/98/57/770139857.db2.gz JNRMXRRVNAPDCQ-UHFFFAOYSA-N 1 3 321.393 0.713 20 0 DCADHO Cc1cc(S(=O)(=O)NCCC[NH2+]CCCN)ccc1F ZINC001238878638 770139972 /nfs/dbraw/zinc/13/99/72/770139972.db2.gz JBOSYRVNDYQNDL-UHFFFAOYSA-N 1 3 303.403 0.741 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1cc(F)cc(F)c1 ZINC001238879474 770140312 /nfs/dbraw/zinc/14/03/12/770140312.db2.gz SCWRVJBAFOUJOC-UHFFFAOYSA-N 1 3 307.366 0.572 20 0 DCADHO NCCS(=O)(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001239069208 770173098 /nfs/dbraw/zinc/17/30/98/770173098.db2.gz AACMEAGLTDFXGR-CABCVRRESA-N 1 3 309.435 0.354 20 0 DCADHO [NH3+]CCS(=O)(=O)N1C[C@@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001239075276 770173903 /nfs/dbraw/zinc/17/39/03/770173903.db2.gz RXBYUMDATPOWPY-RYUDHWBXSA-N 1 3 315.464 0.400 20 0 DCADHO S=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)NC[C@H]1CCCO1 ZINC001239363825 770211317 /nfs/dbraw/zinc/21/13/17/770211317.db2.gz QBKWMFYPNXMJNW-CHWSQXEVSA-N 1 3 312.483 0.504 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001176992209 770283034 /nfs/dbraw/zinc/28/30/34/770283034.db2.gz JOAOGIHDJCYQBU-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066831 770383649 /nfs/dbraw/zinc/38/36/49/770383649.db2.gz ODVIBSRUALEWBC-QLFBSQMISA-N 1 3 317.474 0.407 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066831 770383659 /nfs/dbraw/zinc/38/36/59/770383659.db2.gz ODVIBSRUALEWBC-QLFBSQMISA-N 1 3 317.474 0.407 20 0 DCADHO c1nc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc2c1CNCC2 ZINC001155592438 770558811 /nfs/dbraw/zinc/55/88/11/770558811.db2.gz PDYITVZEGOSKBJ-LRDDRELGSA-N 1 3 303.410 0.693 20 0 DCADHO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)no1 ZINC001155791563 770621010 /nfs/dbraw/zinc/62/10/10/770621010.db2.gz WTRNPLJVYLBECK-LBPRGKRZSA-N 1 3 323.397 0.112 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCOCCO)N(C)C ZINC001178815616 770884184 /nfs/dbraw/zinc/88/41/84/770884184.db2.gz GNUOJFYUGHUQKM-OAHLLOKOSA-N 1 3 317.474 0.602 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C)N(C)C ZINC001178985403 770922759 /nfs/dbraw/zinc/92/27/59/770922759.db2.gz HYWWXUCBAQTCSZ-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(=O)NC1CC1 ZINC001179303484 770982168 /nfs/dbraw/zinc/98/21/68/770982168.db2.gz DXZHURSCUVSDSS-NZBPQXDJSA-N 1 3 322.453 0.327 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(=O)N(C)C ZINC001179303532 770983623 /nfs/dbraw/zinc/98/36/23/770983623.db2.gz GOTSTUCFCBTSIV-XDQVBPFNSA-N 1 3 310.442 0.136 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(=O)N(C)C ZINC001179434931 771003904 /nfs/dbraw/zinc/00/39/04/771003904.db2.gz FBCJEXDTPNZZNT-RDBSUJKOSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001179766319 771014692 /nfs/dbraw/zinc/01/46/92/771014692.db2.gz RNMWYYFCRLESJY-KBPBESRZSA-N 1 3 308.430 0.199 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180139005 771061991 /nfs/dbraw/zinc/06/19/91/771061991.db2.gz WAMWMXLREDOCID-ZNMIVQPWSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180139005 771061994 /nfs/dbraw/zinc/06/19/94/771061994.db2.gz WAMWMXLREDOCID-ZNMIVQPWSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)CN1CCCC1 ZINC001180136132 771062111 /nfs/dbraw/zinc/06/21/11/771062111.db2.gz RETZNTRWMKREKG-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226918 771078239 /nfs/dbraw/zinc/07/82/39/771078239.db2.gz SZBXUAUWOIWXAY-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CCn1cncn1 ZINC001180369628 771114446 /nfs/dbraw/zinc/11/44/46/771114446.db2.gz PFYLYVIVSBVLKY-UHFFFAOYSA-N 1 3 324.473 0.885 20 0 DCADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN(C)C2CCCC2)O1 ZINC001180629854 771150109 /nfs/dbraw/zinc/15/01/09/771150109.db2.gz BPXQZDXBBMLFPG-FMKPAKJESA-N 1 3 313.442 0.702 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746624 771341054 /nfs/dbraw/zinc/34/10/54/771341054.db2.gz RQRQSSIFVOVRHH-IIAWOOMASA-N 1 3 311.470 0.926 20 0 DCADHO CN1CCC(O)(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)CC1 ZINC001182032626 771390863 /nfs/dbraw/zinc/39/08/63/771390863.db2.gz TZVJYPPNBGAFEV-HNNXBMFYSA-N 1 3 309.454 0.920 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C3CC3)C2)CC[N@@H+]1C ZINC001182676393 771527122 /nfs/dbraw/zinc/52/71/22/771527122.db2.gz LBBWZQPWURCBQX-UMVBOHGHSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C3CC3)C2)CC[N@H+]1C ZINC001182676393 771527124 /nfs/dbraw/zinc/52/71/24/771527124.db2.gz LBBWZQPWURCBQX-UMVBOHGHSA-N 1 3 322.453 0.138 20 0 DCADHO CN1CCN(C(=O)[C@@H](N)CSCC[NH3+])[C@H](c2ccccc2)C1 ZINC001157508360 771622478 /nfs/dbraw/zinc/62/24/78/771622478.db2.gz SRNAQXUATPVRDK-GJZGRUSLSA-N 1 3 322.478 0.521 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183255226 771630367 /nfs/dbraw/zinc/63/03/67/771630367.db2.gz LHSYZWJFKYFACD-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183255226 771630369 /nfs/dbraw/zinc/63/03/69/771630369.db2.gz LHSYZWJFKYFACD-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183266558 771630904 /nfs/dbraw/zinc/63/09/04/771630904.db2.gz DHWZTJFDIRDPFP-HIFRSBDPSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001157715333 771657915 /nfs/dbraw/zinc/65/79/15/771657915.db2.gz DQHXMEUNNPCAJJ-MRXNPFEDSA-N 1 3 303.406 0.322 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157730973 771660331 /nfs/dbraw/zinc/66/03/31/771660331.db2.gz QGGASWKFHITIMD-IHRRRGAJSA-N 1 3 303.422 0.661 20 0 DCADHO N[C@@H](C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1CO)C1CC[NH2+]CC1 ZINC001157905980 771690629 /nfs/dbraw/zinc/69/06/29/771690629.db2.gz XSNRUXLGWVSJGX-IJLUTSLNSA-N 1 3 323.359 0.475 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)NCCN[C@H]1CCCNC1=O ZINC001151361655 771707518 /nfs/dbraw/zinc/70/75/18/771707518.db2.gz LXIFIXCTXLWLTA-AWEZNQCLSA-N 1 3 310.442 0.237 20 0 DCADHO [NH3+]Cc1cccc(-c2nnn(-c3ncnc4c3CCNC4)n2)c1 ZINC001158042437 771718187 /nfs/dbraw/zinc/71/81/87/771718187.db2.gz ADURJGZRHULGFO-UHFFFAOYSA-N 1 3 308.349 0.224 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(C[C@H]2CCO)CC1 ZINC001158109776 771726882 /nfs/dbraw/zinc/72/68/82/771726882.db2.gz CDBVGUROSBKNAO-HUUCEWRRSA-N 1 3 321.465 0.872 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(C[C@H]2CCO)CC1 ZINC001158109776 771726884 /nfs/dbraw/zinc/72/68/84/771726884.db2.gz CDBVGUROSBKNAO-HUUCEWRRSA-N 1 3 321.465 0.872 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)on1 ZINC001158197328 771738864 /nfs/dbraw/zinc/73/88/64/771738864.db2.gz WRXJCDDVLAJRAX-HNNXBMFYSA-N 1 3 306.410 0.921 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197302 771738951 /nfs/dbraw/zinc/73/89/51/771738951.db2.gz WIZUNOYHWATAOZ-HNNXBMFYSA-N 1 3 320.441 0.236 20 0 DCADHO [NH3+][C@H]1CCN(C2CCN(c3ncc4c(n3)CCNC4)CC2)C1 ZINC001158258758 771747728 /nfs/dbraw/zinc/74/77/28/771747728.db2.gz IMDRPESYLFFOCE-ZDUSSCGKSA-N 1 3 302.426 0.124 20 0 DCADHO O=C(COC1CC[NH2+]CC1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336063 771761362 /nfs/dbraw/zinc/76/13/62/771761362.db2.gz IBSZGSJUVOZVQJ-DLBZAZTESA-N 1 3 315.417 0.853 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380618 771765830 /nfs/dbraw/zinc/76/58/30/771765830.db2.gz RVLVGFBQECZDCW-VXGBXAGGSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380618 771765831 /nfs/dbraw/zinc/76/58/31/771765831.db2.gz RVLVGFBQECZDCW-VXGBXAGGSA-N 1 3 311.455 0.783 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578670 771801696 /nfs/dbraw/zinc/80/16/96/771801696.db2.gz VOUVMZDBOYAZKN-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001184807119 771823996 /nfs/dbraw/zinc/82/39/96/771823996.db2.gz VHTJSNSRYVQAHS-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001158804465 771824019 /nfs/dbraw/zinc/82/40/19/771824019.db2.gz QCUOGVVBUPPLJG-ZNMIVQPWSA-N 1 3 312.458 0.023 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]Cc1cncn1C ZINC001159155533 771866717 /nfs/dbraw/zinc/86/67/17/771866717.db2.gz PJWPFTZWBRZDER-AWEZNQCLSA-N 1 3 313.421 0.696 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185170119 771872984 /nfs/dbraw/zinc/87/29/84/771872984.db2.gz NXQXEYDKGJRPTB-KBPBESRZSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc3c(nn2)CCNC3)O1 ZINC001159243696 771882784 /nfs/dbraw/zinc/88/27/84/771882784.db2.gz RWADPAJRBGOHDK-UMVBOHGHSA-N 1 3 307.398 0.259 20 0 DCADHO CN1CCC[C@@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185249228 771888090 /nfs/dbraw/zinc/88/80/90/771888090.db2.gz RTKFDKOIPBOEGX-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248807 771888802 /nfs/dbraw/zinc/88/88/02/771888802.db2.gz LDQAARYWQSGFFK-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185386047 771909850 /nfs/dbraw/zinc/90/98/50/771909850.db2.gz ZCKYZWJWUVLCKM-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](C)N)CCC2 ZINC001159480920 771916648 /nfs/dbraw/zinc/91/66/48/771916648.db2.gz FSSOSRGZHPBZGX-GFCCVEGCSA-N 1 3 321.425 0.163 20 0 DCADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](C)N)CCC2 ZINC001159480920 771916651 /nfs/dbraw/zinc/91/66/51/771916651.db2.gz FSSOSRGZHPBZGX-GFCCVEGCSA-N 1 3 321.425 0.163 20 0 DCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)CNCC[NH3+])[C@@H]2C ZINC001159633583 771937223 /nfs/dbraw/zinc/93/72/23/771937223.db2.gz OAAABEHDXKAIAA-CYBMUJFWSA-N 1 3 322.457 0.175 20 0 DCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@@H](N)CC[NH3+])[C@@H]2C ZINC001159634458 771937509 /nfs/dbraw/zinc/93/75/09/771937509.db2.gz YZBLSOHGWJNTIF-OCCSQVGLSA-N 1 3 322.457 0.303 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650033 771939176 /nfs/dbraw/zinc/93/91/76/771939176.db2.gz ASKVRUSUNKGSDD-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650033 771939179 /nfs/dbraw/zinc/93/91/79/771939179.db2.gz ASKVRUSUNKGSDD-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650298 771939248 /nfs/dbraw/zinc/93/92/48/771939248.db2.gz FOCNWWWNYWHDPY-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650298 771939252 /nfs/dbraw/zinc/93/92/52/771939252.db2.gz FOCNWWWNYWHDPY-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659613 771941270 /nfs/dbraw/zinc/94/12/70/771941270.db2.gz LZHIZBNLHHOLTE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659613 771941272 /nfs/dbraw/zinc/94/12/72/771941272.db2.gz LZHIZBNLHHOLTE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1)N(C)C ZINC001185716564 771948633 /nfs/dbraw/zinc/94/86/33/771948633.db2.gz ZCFUJEOYHHCYMT-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCO[C@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001185926645 771976968 /nfs/dbraw/zinc/97/69/68/771976968.db2.gz YUIPCWDJJWRYFW-UKRRQHHQSA-N 1 3 306.410 0.958 20 0 DCADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)CC(F)F ZINC001159930728 771978927 /nfs/dbraw/zinc/97/89/27/771978927.db2.gz WKCWDALHJODQAQ-SDDRHHMPSA-N 1 3 304.385 0.206 20 0 DCADHO C[NH+](C)[C@H](C(=O)NCCCNCc1cc2n(n1)CCC2)C1CC1 ZINC001159932236 771979960 /nfs/dbraw/zinc/97/99/60/771979960.db2.gz OZHKNNDHIHKVCX-INIZCTEOSA-N 1 3 319.453 0.765 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21)C1CC1 ZINC001159931566 771980474 /nfs/dbraw/zinc/98/04/74/771980474.db2.gz FKFUVRHTDHTJEC-HIFRSBDPSA-N 1 3 320.441 0.202 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001159933065 771981269 /nfs/dbraw/zinc/98/12/69/771981269.db2.gz YSLXUYBWKOBKFT-OAHLLOKOSA-N 1 3 307.442 0.839 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC1 ZINC001186082921 771991556 /nfs/dbraw/zinc/99/15/56/771991556.db2.gz ODYMBJNAPDWIGT-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC001160461395 772043391 /nfs/dbraw/zinc/04/33/91/772043391.db2.gz NWGKNSICOHBKMW-MRXNPFEDSA-N 1 3 320.437 0.276 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(=O)N(C)C ZINC001186554933 772054891 /nfs/dbraw/zinc/05/48/91/772054891.db2.gz JQKUXFZRJZBLPR-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555917 772055038 /nfs/dbraw/zinc/05/50/38/772055038.db2.gz YVSHLSWXNSPTCV-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@H]1COCc1ccccc1 ZINC001160525797 772058119 /nfs/dbraw/zinc/05/81/19/772058119.db2.gz FENWKTTVHNCZEM-HZPDHXFCSA-N 1 3 315.417 0.613 20 0 DCADHO Cc1nc([C@@H]2CCCCN2C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)no1 ZINC001160549198 772063521 /nfs/dbraw/zinc/06/35/21/772063521.db2.gz NEEQRKTWYBVWKD-DVOMOZLQSA-N 1 3 319.409 0.631 20 0 DCADHO N[C@@H](C(=O)N1CCc2nc(Cl)ncc2C1)C1CC[NH2+]CC1 ZINC001160575550 772068617 /nfs/dbraw/zinc/06/86/17/772068617.db2.gz CHBBRXGRDYVLGV-GFCCVEGCSA-N 1 3 309.801 0.342 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H](n2cncn2)C1 ZINC001160635639 772080870 /nfs/dbraw/zinc/08/08/70/772080870.db2.gz BLWOTPIVRRQKPS-KBPBESRZSA-N 1 3 318.425 0.316 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H](n2cncn2)C1 ZINC001160635639 772080876 /nfs/dbraw/zinc/08/08/76/772080876.db2.gz BLWOTPIVRRQKPS-KBPBESRZSA-N 1 3 318.425 0.316 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3NCCC[C@H]3C(F)(F)F)C[C@H]2C1 ZINC001160705373 772100260 /nfs/dbraw/zinc/10/02/60/772100260.db2.gz WPBQODAKPSZRGY-KXNHARMFSA-N 1 3 305.344 0.937 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3NCCC[C@H]3C(F)(F)F)C[C@H]2C1 ZINC001160705373 772100261 /nfs/dbraw/zinc/10/02/61/772100261.db2.gz WPBQODAKPSZRGY-KXNHARMFSA-N 1 3 305.344 0.937 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC(n2cnnc2)CC1 ZINC001160718601 772102197 /nfs/dbraw/zinc/10/21/97/772102197.db2.gz NBWHBPAIRUBHQD-AWEZNQCLSA-N 1 3 308.430 0.501 20 0 DCADHO O=C([C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CCN2CCC1CC2 ZINC001160725468 772103753 /nfs/dbraw/zinc/10/37/53/772103753.db2.gz ASQQVRTYOOUWKL-PBHICJAKSA-N 1 3 307.438 0.842 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC001160754893 772106661 /nfs/dbraw/zinc/10/66/61/772106661.db2.gz OPCMAWUPYWEQJW-CABCVRRESA-N 1 3 307.394 0.359 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC001160755507 772107244 /nfs/dbraw/zinc/10/72/44/772107244.db2.gz YFINZYYIVZTDMP-HOTGVXAUSA-N 1 3 321.421 0.749 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001160834369 772118105 /nfs/dbraw/zinc/11/81/05/772118105.db2.gz ZGHQEHCXGLHZTE-QMMMGPOBSA-N 1 3 305.304 0.379 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(C)C)N(C)C ZINC001160882862 772132424 /nfs/dbraw/zinc/13/24/24/772132424.db2.gz ABNRWQAOOIDDQP-UONOGXRCSA-N 1 3 314.474 0.583 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N(CCO)CC(F)(F)F ZINC001160909028 772137236 /nfs/dbraw/zinc/13/72/36/772137236.db2.gz JATDPYFBEUFAMS-SNVBAGLBSA-N 1 3 309.332 0.244 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N(CCO)CC(F)(F)F ZINC001160909028 772137239 /nfs/dbraw/zinc/13/72/39/772137239.db2.gz JATDPYFBEUFAMS-SNVBAGLBSA-N 1 3 309.332 0.244 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187126481 772139153 /nfs/dbraw/zinc/13/91/53/772139153.db2.gz IXTFLHSLJVUSQN-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO N[C@H]1C[NH2+][C@H](C(=O)N2CCC(c3[nH]nc4ccccc43)CC2)C1 ZINC001161103033 772170120 /nfs/dbraw/zinc/17/01/20/772170120.db2.gz CQPMFHCWSQHHQJ-DOMZBBRYSA-N 1 3 313.405 0.958 20 0 DCADHO N[C@@H](Cc1ccsc1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161372989 772212727 /nfs/dbraw/zinc/21/27/27/772212727.db2.gz NMYDNNYSUBTEJD-CABCVRRESA-N 1 3 322.478 0.642 20 0 DCADHO Cc1cnccc1O[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161387894 772215771 /nfs/dbraw/zinc/21/57/71/772215771.db2.gz UUQLVBHEVSBGDP-UONOGXRCSA-N 1 3 316.405 0.179 20 0 DCADHO Cc1cnccc1O[C@@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001161386313 772215899 /nfs/dbraw/zinc/21/58/99/772215899.db2.gz HZGQBGXEEVEGIX-WBOJAVRRSA-N 1 3 316.405 0.592 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001187835338 772232078 /nfs/dbraw/zinc/23/20/78/772232078.db2.gz SXIITBGRCWGZGH-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944493 772251316 /nfs/dbraw/zinc/25/13/16/772251316.db2.gz JOEJGWHPMQBHMZ-GVDBMIGSSA-N 1 3 321.465 0.897 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188098683 772265495 /nfs/dbraw/zinc/26/54/95/772265495.db2.gz AOVPJKNDCWREGV-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001188139295 772271196 /nfs/dbraw/zinc/27/11/96/772271196.db2.gz KWMPAYIKGWCIHZ-QLFBSQMISA-N 1 3 313.442 0.059 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106236 772273545 /nfs/dbraw/zinc/27/35/45/772273545.db2.gz DYGDCEPPXAOBOH-OAHLLOKOSA-N 1 3 319.453 0.987 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccnc(Br)c1 ZINC001188620709 772333965 /nfs/dbraw/zinc/33/39/65/772333965.db2.gz AAMINRLLVFXYAI-UHFFFAOYSA-N 1 3 314.187 0.919 20 0 DCADHO COCC1(CNC(=O)CN(C)C(C)C)CC[NH+](CCO)CC1 ZINC001162617640 772399036 /nfs/dbraw/zinc/39/90/36/772399036.db2.gz MAXSPGWZTWMVIM-UHFFFAOYSA-N 1 3 315.458 0.164 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cc(OC)nc(COC)n1 ZINC001163130154 772469408 /nfs/dbraw/zinc/46/94/08/772469408.db2.gz XOWRBNMDZNZGKP-UHFFFAOYSA-N 1 3 310.402 0.910 20 0 DCADHO Cc1cc(CN)nn1-c1nc(N2CCC(C[NH3+])CC2)ncc1C ZINC001163980287 772601241 /nfs/dbraw/zinc/60/12/41/772601241.db2.gz QTPFDJYGBRBWDX-UHFFFAOYSA-N 1 3 315.425 0.913 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190775269 772676995 /nfs/dbraw/zinc/67/69/95/772676995.db2.gz FNQVBTLSRUEXIZ-KFWWJZLASA-N 1 3 315.458 0.113 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190775269 772676996 /nfs/dbraw/zinc/67/69/96/772676996.db2.gz FNQVBTLSRUEXIZ-KFWWJZLASA-N 1 3 315.458 0.113 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCNCc2cnns2)CC[N@@H+]1C ZINC001164574208 772682519 /nfs/dbraw/zinc/68/25/19/772682519.db2.gz BKTAAYLAYSYHME-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCNCc2cnns2)CC[N@H+]1C ZINC001164574208 772682521 /nfs/dbraw/zinc/68/25/21/772682521.db2.gz BKTAAYLAYSYHME-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC001165718750 772757718 /nfs/dbraw/zinc/75/77/18/772757718.db2.gz QJXIZTMKLRTTKO-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001166004558 772778241 /nfs/dbraw/zinc/77/82/41/772778241.db2.gz RNOFKEGPSSMUOS-OAHLLOKOSA-N 1 3 324.473 0.577 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(=O)NC1CC1 ZINC001166626406 772830163 /nfs/dbraw/zinc/83/01/63/772830163.db2.gz FTGQOJAWXNMFLM-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001166626452 772830241 /nfs/dbraw/zinc/83/02/41/772830241.db2.gz GSZHXTVOMZLSMH-GFCCVEGCSA-N 1 3 323.397 0.193 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001166627119 772830976 /nfs/dbraw/zinc/83/09/76/772830976.db2.gz QJBCUWNZCFDTLA-AWEZNQCLSA-N 1 3 307.442 0.543 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)nn1 ZINC001166634868 772833113 /nfs/dbraw/zinc/83/31/13/772833113.db2.gz WUIBYYLOQHEFCT-CYBMUJFWSA-N 1 3 321.425 0.565 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001166668066 772837023 /nfs/dbraw/zinc/83/70/23/772837023.db2.gz PXVOELWQEJHVNN-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)ncn1 ZINC001166677963 772839256 /nfs/dbraw/zinc/83/92/56/772839256.db2.gz RGZGFCBYPCOPQL-CYBMUJFWSA-N 1 3 305.426 0.723 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001166677959 772839406 /nfs/dbraw/zinc/83/94/06/772839406.db2.gz REDUNLHYQNTIEL-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO CN(CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)CC(C)(C)C ZINC001166750338 772855885 /nfs/dbraw/zinc/85/58/85/772855885.db2.gz DFXSHIUQKGAXMJ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)N(C)C ZINC001204799239 772962386 /nfs/dbraw/zinc/96/23/86/772962386.db2.gz USPDZBUMHUSRHL-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001204798382 772962405 /nfs/dbraw/zinc/96/24/05/772962405.db2.gz IHVNOTWYWNAYIV-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001205469586 772994193 /nfs/dbraw/zinc/99/41/93/772994193.db2.gz NOZFEHYYDYFUHA-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO COCCN(C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193076952 773001173 /nfs/dbraw/zinc/00/11/73/773001173.db2.gz FCWSJOOKSPRWGZ-AWEZNQCLSA-N 1 3 313.442 0.276 20 0 DCADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001206152018 773051134 /nfs/dbraw/zinc/05/11/34/773051134.db2.gz ABBOAVPOPUOPIL-GFCCVEGCSA-N 1 3 322.457 0.954 20 0 DCADHO CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001193791172 773110241 /nfs/dbraw/zinc/11/02/41/773110241.db2.gz FADDEJXUBFXQIH-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001193791172 773110244 /nfs/dbraw/zinc/11/02/44/773110244.db2.gz FADDEJXUBFXQIH-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207684256 773268191 /nfs/dbraw/zinc/26/81/91/773268191.db2.gz LULIKSKBHBAYHP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687952 773269999 /nfs/dbraw/zinc/26/99/99/773269999.db2.gz KKYJAIHCEDRNFK-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073069 773394269 /nfs/dbraw/zinc/39/42/69/773394269.db2.gz AZJKJSLBWRNRCP-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073069 773394277 /nfs/dbraw/zinc/39/42/77/773394277.db2.gz AZJKJSLBWRNRCP-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001208328454 773433910 /nfs/dbraw/zinc/43/39/10/773433910.db2.gz DPKXEYAQLOMGQX-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001208330868 773435785 /nfs/dbraw/zinc/43/57/85/773435785.db2.gz HCFUKMUHIYTICI-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208359076 773442668 /nfs/dbraw/zinc/44/26/68/773442668.db2.gz PSJRPDLKNMOSPR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208359076 773442672 /nfs/dbraw/zinc/44/26/72/773442672.db2.gz PSJRPDLKNMOSPR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001208373171 773445537 /nfs/dbraw/zinc/44/55/37/773445537.db2.gz HFWWABUJQLNYCQ-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496370 773479700 /nfs/dbraw/zinc/47/97/00/773479700.db2.gz QQMPSCLRMAHPHU-MGPQQGTHSA-N 1 3 320.441 0.154 20 0 DCADHO CC[NH+]1CCC(CN2CCN(CCN3CCOCC3)CC2)CC1 ZINC001208599742 773505221 /nfs/dbraw/zinc/50/52/21/773505221.db2.gz LNQYGDICFLLCNY-UHFFFAOYSA-N 1 3 324.513 0.668 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001209408688 773603113 /nfs/dbraw/zinc/60/31/13/773603113.db2.gz VPLSECZPSPYYIR-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001209419540 773604293 /nfs/dbraw/zinc/60/42/93/773604293.db2.gz NJRZIFDZLJWQIX-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454888 773607149 /nfs/dbraw/zinc/60/71/49/773607149.db2.gz ONDIUXSFOVNHQK-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209632270 773627297 /nfs/dbraw/zinc/62/72/97/773627297.db2.gz LUXQWJOTINZEFL-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685111 773730445 /nfs/dbraw/zinc/73/04/45/773730445.db2.gz NQPMJOKMSUVIFQ-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211032183 773761769 /nfs/dbraw/zinc/76/17/69/773761769.db2.gz UUAVJBFYBZISKX-FVQBIDKESA-N 1 3 309.454 0.801 20 0 DCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211032183 773761775 /nfs/dbraw/zinc/76/17/75/773761775.db2.gz UUAVJBFYBZISKX-FVQBIDKESA-N 1 3 309.454 0.801 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211063962 773764721 /nfs/dbraw/zinc/76/47/21/773764721.db2.gz FFHIFZGVGBPWGB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211063962 773764722 /nfs/dbraw/zinc/76/47/22/773764722.db2.gz FFHIFZGVGBPWGB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CO[C@@H]1CN(CCc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374532 773838992 /nfs/dbraw/zinc/83/89/92/773838992.db2.gz KYEBTFIKCUTTEC-IAGOWNOFSA-N 1 3 319.449 0.996 20 0 DCADHO CCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730242 773880543 /nfs/dbraw/zinc/88/05/43/773880543.db2.gz JYAHQKVTFFAGGS-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847389 774018419 /nfs/dbraw/zinc/01/84/19/774018419.db2.gz CZAIZVWCVJHDCJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NCC(N)=O ZINC001215234144 774052057 /nfs/dbraw/zinc/05/20/57/774052057.db2.gz FVKXROUXDGZVSA-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215456436 774074059 /nfs/dbraw/zinc/07/40/59/774074059.db2.gz USOLKLAOYBZMBN-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001216511155 774120369 /nfs/dbraw/zinc/12/03/69/774120369.db2.gz KMFWULWPDDBXAN-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001216965707 774148213 /nfs/dbraw/zinc/14/82/13/774148213.db2.gz YQKIOLYYFQHVKC-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO F[C@@H]1C[NH2+]CCC[C@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001217945516 774207483 /nfs/dbraw/zinc/20/74/83/774207483.db2.gz DJBDJOVQZSUZAI-DGCLKSJQSA-N 1 3 305.357 0.844 20 0 DCADHO c1ccc(N2CC[NH2+]CC2)c(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)c1 ZINC001218127923 774212856 /nfs/dbraw/zinc/21/28/56/774212856.db2.gz VUWRFTJHHJQCMV-IAOVAPTHSA-N 1 3 303.406 0.994 20 0 DCADHO CCC(=O)[C@H]1C[C@@H](Oc2ccc(C[C@H](N)C(N)=O)cc2)C[NH2+]1 ZINC001218325488 774220828 /nfs/dbraw/zinc/22/08/28/774220828.db2.gz JZWZBUWUKRCNLV-HZSPNIEDSA-N 1 3 305.378 0.130 20 0 DCADHO O=C(Nc1ccncc1C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218498789 774229393 /nfs/dbraw/zinc/22/93/93/774229393.db2.gz XZKLJPYZEKSRBY-NOZJJQNGSA-N 1 3 314.311 0.660 20 0 DCADHO N[C@@H](C(=O)Nc1ncc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC001218529077 774238948 /nfs/dbraw/zinc/23/89/48/774238948.db2.gz GAGQFIJMUMMDIN-SECBINFHSA-N 1 3 303.288 0.761 20 0 DCADHO CN(C(=O)[C@@H](N)CCC[NH3+])c1ncc(C(F)(F)F)cc1N ZINC001218587787 774257386 /nfs/dbraw/zinc/25/73/86/774257386.db2.gz NMFUXRTZHJZNNH-QMMMGPOBSA-N 1 3 305.304 0.712 20 0 DCADHO Nc1cccnc1N(C(=O)[C@@H](N)CC(F)F)C1CC[NH2+]CC1 ZINC001218696796 774282250 /nfs/dbraw/zinc/28/22/50/774282250.db2.gz YIPCGHFZTQFLJS-NSHDSACASA-N 1 3 313.352 0.731 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001218709868 774285566 /nfs/dbraw/zinc/28/55/66/774285566.db2.gz BOOMUYOAFVQUDF-PUHVVEEASA-N 1 3 306.366 0.662 20 0 DCADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001218714447 774286818 /nfs/dbraw/zinc/28/68/18/774286818.db2.gz YSLHVFNOWMZGQP-JULQROHOSA-N 1 3 306.366 0.805 20 0 DCADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3CNC[C@H](F)C3)cn2)CC1 ZINC001218725676 774289716 /nfs/dbraw/zinc/28/97/16/774289716.db2.gz ZWXBKJJETMHGLD-NWDGAFQWSA-N 1 3 321.400 0.895 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC001218886668 774320858 /nfs/dbraw/zinc/32/08/58/774320858.db2.gz ZWNITFKKDPNYTQ-ZDUSSCGKSA-N 1 3 304.394 0.974 20 0 DCADHO COC(=O)Cc1c(F)ccc(NC(=O)[C@@H](N)CCC[NH3+])c1F ZINC001218928377 774328973 /nfs/dbraw/zinc/32/89/73/774328973.db2.gz AOPWKFGAHPTMOR-JTQLQIEISA-N 1 3 315.320 0.685 20 0 DCADHO NC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1Cl ZINC001218951540 774334457 /nfs/dbraw/zinc/33/44/57/774334457.db2.gz KAPKPWUPCISLSS-JTQLQIEISA-N 1 3 308.769 0.186 20 0 DCADHO CO[C@@H]1CCN[C@@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119327 774378836 /nfs/dbraw/zinc/37/88/36/774378836.db2.gz XERVUXRVUOTUTG-HZPDHXFCSA-N 1 3 318.421 0.802 20 0 DCADHO O=C(N1CCCO[C@@H](CNCCF)C1)C12CCC[NH+]1CCC2 ZINC001200887510 774424999 /nfs/dbraw/zinc/42/49/99/774424999.db2.gz MLVKNJCJFUCCES-AWEZNQCLSA-N 1 3 313.417 0.791 20 0 DCADHO O=C(N1CCCO[C@H](CNCCF)C1)C12CCC[NH+]1CCC2 ZINC001200887511 774425039 /nfs/dbraw/zinc/42/50/39/774425039.db2.gz MLVKNJCJFUCCES-CQSZACIVSA-N 1 3 313.417 0.791 20 0 DCADHO O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@H]1CNCCN1 ZINC001219303451 774441677 /nfs/dbraw/zinc/44/16/77/774441677.db2.gz XOFQQESKRHWYHI-CQSZACIVSA-N 1 3 322.384 0.456 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001201321660 774487264 /nfs/dbraw/zinc/48/72/64/774487264.db2.gz SNJKAQTTZPKIOC-ZDUSSCGKSA-N 1 3 310.442 0.186 20 0 DCADHO COC(Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1)OC ZINC001219442034 774496252 /nfs/dbraw/zinc/49/62/52/774496252.db2.gz ZZOGIIVNNFOGIB-CQSZACIVSA-N 1 3 319.405 0.596 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@H]2C)CCCO1 ZINC001201402855 774502234 /nfs/dbraw/zinc/50/22/34/774502234.db2.gz GTAJKNFSEMFIGH-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201482408 774520805 /nfs/dbraw/zinc/52/08/05/774520805.db2.gz IDTIWPNPWZHOLY-UKRRQHHQSA-N 1 3 324.425 0.320 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201482400 774520957 /nfs/dbraw/zinc/52/09/57/774520957.db2.gz IDTIWPNPWZHOLY-DZGCQCFKSA-N 1 3 324.425 0.320 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643278 774570229 /nfs/dbraw/zinc/57/02/29/774570229.db2.gz NSCDBSCJSRNQFS-ZACQAIPSSA-N 1 3 323.481 0.926 20 0 DCADHO O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)c1[nH]nc2c1CNCC2 ZINC001219747448 774598053 /nfs/dbraw/zinc/59/80/53/774598053.db2.gz VPQOZUYFKSZFEU-NSHDSACASA-N 1 3 319.409 0.086 20 0 DCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](O)CN)CC21CC[NH2+]CC1 ZINC001219757985 774599218 /nfs/dbraw/zinc/59/92/18/774599218.db2.gz ZFANFLZVFCKWIT-CABCVRRESA-N 1 3 303.406 0.497 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768945 774601987 /nfs/dbraw/zinc/60/19/87/774601987.db2.gz RDNVWUNEIQDIFV-XHDPSFHLSA-N 1 3 317.405 0.514 20 0 DCADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001219775421 774603773 /nfs/dbraw/zinc/60/37/73/774603773.db2.gz LMUYOACCVBDCKH-SUMWQHHRSA-N 1 3 307.438 0.794 20 0 DCADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1cncc2c1CCNC2 ZINC001219802883 774613701 /nfs/dbraw/zinc/61/37/01/774613701.db2.gz FHXKREAPZWZIFR-ZDUSSCGKSA-N 1 3 316.405 0.226 20 0 DCADHO O=C(C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847391 774626010 /nfs/dbraw/zinc/62/60/10/774626010.db2.gz FYBMNOHMPMLFBN-NJNCZSALSA-N 1 3 323.437 0.171 20 0 DCADHO O=C(C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847392 774626170 /nfs/dbraw/zinc/62/61/70/774626170.db2.gz FYBMNOHMPMLFBN-PYOKUCOHSA-N 1 3 323.437 0.171 20 0 DCADHO N[C@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CCc2cc(F)ccc2C1 ZINC001219856227 774629397 /nfs/dbraw/zinc/62/93/97/774629397.db2.gz CNXIUZJVMWNEDX-JYYAWHABSA-N 1 3 319.380 0.115 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219951911 774654829 /nfs/dbraw/zinc/65/48/29/774654829.db2.gz HDVNLFBZLXEDCJ-HNNXBMFYSA-N 1 3 307.442 0.719 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccc(C(N)=O)cc1 ZINC001219962730 774657446 /nfs/dbraw/zinc/65/74/46/774657446.db2.gz HJKJKELJSSKGOY-HNNXBMFYSA-N 1 3 320.437 0.897 20 0 DCADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219999415 774664545 /nfs/dbraw/zinc/66/45/45/774664545.db2.gz SPJADPHCIGYWBP-JYJNAYRXSA-N 1 3 303.406 0.663 20 0 DCADHO N[C@H](C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCC(O)CC1 ZINC001220163885 774715742 /nfs/dbraw/zinc/71/57/42/774715742.db2.gz WKJCKHTWQMMHBM-KWRMKNCKSA-N 1 3 309.454 0.903 20 0 DCADHO O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1ccc2c(c1)CNC2 ZINC001220322956 774771959 /nfs/dbraw/zinc/77/19/59/774771959.db2.gz ADFBWNLQAYPRAM-WBVHZDCISA-N 1 3 301.390 0.931 20 0 DCADHO COc1cc2c(cc1C)C[C@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001220379514 774788643 /nfs/dbraw/zinc/78/86/43/774788643.db2.gz WJMZMUAQZINUNF-LSDHHAIUSA-N 1 3 315.417 0.396 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388045 774791334 /nfs/dbraw/zinc/79/13/34/774791334.db2.gz YSKNSOXMEYSCEB-KFWWJZLASA-N 1 3 313.442 0.057 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220517681 774833190 /nfs/dbraw/zinc/83/31/90/774833190.db2.gz VXHHZPHSTSXNCM-CVEARBPZSA-N 1 3 304.438 0.877 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406868 774843853 /nfs/dbraw/zinc/84/38/53/774843853.db2.gz MIPQZDSQOIAMSD-BYNSBNAKSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406868 774843861 /nfs/dbraw/zinc/84/38/61/774843861.db2.gz MIPQZDSQOIAMSD-BYNSBNAKSA-N 1 3 309.454 0.678 20 0 DCADHO CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220567663 774845734 /nfs/dbraw/zinc/84/57/34/774845734.db2.gz IOQDIODIYYPBOP-UONOGXRCSA-N 1 3 322.409 0.128 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001114483831 774895193 /nfs/dbraw/zinc/89/51/93/774895193.db2.gz NEAQDDHLUCMMEX-KBXIAJHMSA-N 1 3 309.454 0.800 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001114483831 774895199 /nfs/dbraw/zinc/89/51/99/774895199.db2.gz NEAQDDHLUCMMEX-KBXIAJHMSA-N 1 3 309.454 0.800 20 0 DCADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788799 774915307 /nfs/dbraw/zinc/91/53/07/774915307.db2.gz GNUVPEFECVCTAQ-YCPHGPKFSA-N 1 3 304.394 0.227 20 0 DCADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001221015854 774979222 /nfs/dbraw/zinc/97/92/22/774979222.db2.gz QIXXOFNKHCWLEP-ZDUSSCGKSA-N 1 3 324.425 0.780 20 0 DCADHO O=C(NCc1cn(CC2CC2)cn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221023126 774981338 /nfs/dbraw/zinc/98/13/38/774981338.db2.gz BSEPZYHCXJLKPQ-CZUORRHYSA-N 1 3 303.410 0.108 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202673185 774985893 /nfs/dbraw/zinc/98/58/93/774985893.db2.gz JDJVNBACXIZTJK-LBPRGKRZSA-N 1 3 321.425 0.448 20 0 DCADHO N[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC001221062867 774987595 /nfs/dbraw/zinc/98/75/95/774987595.db2.gz CXCWFWNLFUHYQO-WMZOPIPTSA-N 1 3 316.449 0.848 20 0 DCADHO COc1cccnc1[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001221215347 775029210 /nfs/dbraw/zinc/02/92/10/775029210.db2.gz PSZJVVQRWPMUIX-WCQYABFASA-N 1 3 324.450 0.677 20 0 DCADHO Cn1ncc2c1cccc2CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001221306454 775062836 /nfs/dbraw/zinc/06/28/36/775062836.db2.gz RNNGZGCFBDGBBK-LBPRGKRZSA-N 1 3 307.423 0.209 20 0 DCADHO COc1ccc2c(c1)OC[C@H](CNC(=O)[C@H](N)CCC[NH3+])C2 ZINC001221320677 775066981 /nfs/dbraw/zinc/06/69/81/775066981.db2.gz DYVGPQNOIZNOKR-SMDDNHRTSA-N 1 3 307.394 0.429 20 0 DCADHO COc1ccc2c(c1)OC[C@H](CNC(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001221321086 775067110 /nfs/dbraw/zinc/06/71/10/775067110.db2.gz KJEQWDZUXQWDPU-WFASDCNBSA-N 1 3 321.421 0.819 20 0 DCADHO COc1ccc2c(c1)OC[C@H](CNC(=O)[C@@H](N)CCC[NH3+])C2 ZINC001221320675 775067763 /nfs/dbraw/zinc/06/77/63/775067763.db2.gz DYVGPQNOIZNOKR-FZMZJTMJSA-N 1 3 307.394 0.429 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H](O)c1cc2ccccc2o1 ZINC001221328750 775069906 /nfs/dbraw/zinc/06/99/06/775069906.db2.gz CMZGAEPYPWSFLS-RYUDHWBXSA-N 1 3 323.418 0.602 20 0 DCADHO CC(C)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cccc(N)n1 ZINC001221405618 775090243 /nfs/dbraw/zinc/09/02/43/775090243.db2.gz MLCNQERUEGUKRU-SMDDNHRTSA-N 1 3 303.410 0.286 20 0 DCADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013432 775245260 /nfs/dbraw/zinc/24/52/60/775245260.db2.gz DROOQRCVDOPRCJ-OWCLPIDISA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)OCCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013432 775245264 /nfs/dbraw/zinc/24/52/64/775245264.db2.gz DROOQRCVDOPRCJ-OWCLPIDISA-N 1 3 309.454 0.896 20 0 DCADHO c1c(CN2CCOC[C@@]3(CNCCO3)C2)sc2c1C[NH2+]CC2 ZINC001222186258 775293789 /nfs/dbraw/zinc/29/37/89/775293789.db2.gz BROZEQSKBASQHD-MRXNPFEDSA-N 1 3 323.462 0.585 20 0 DCADHO O=C1NCC[C@@]12C[N@H+](Cc1ccc3c(c1)CCN3)CC21CNC1 ZINC001222528599 775379902 /nfs/dbraw/zinc/37/99/02/775379902.db2.gz XVQVULCCWOLPOY-GOSISDBHSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@@]12C[N@@H+](Cc1ccc3c(c1)CCN3)CC21CNC1 ZINC001222528599 775379912 /nfs/dbraw/zinc/37/99/12/775379912.db2.gz XVQVULCCWOLPOY-GOSISDBHSA-N 1 3 312.417 0.566 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224273024 775552809 /nfs/dbraw/zinc/55/28/09/775552809.db2.gz LMUJCNXPAYXHRN-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001111417060 775857061 /nfs/dbraw/zinc/85/70/61/775857061.db2.gz XDGYQXFTOQXOHP-OAGGEKHMSA-N 1 3 309.454 0.966 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226782694 775876845 /nfs/dbraw/zinc/87/68/45/775876845.db2.gz QHBYMNXXGGMNPU-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@H+](CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)C1CCCCC1 ZINC001114624326 775980509 /nfs/dbraw/zinc/98/05/09/775980509.db2.gz PYRASPVGRPAFEI-QLPKVWCKSA-N 1 3 309.454 0.680 20 0 DCADHO C[N@@H+](CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)C1CCCCC1 ZINC001114624326 775980515 /nfs/dbraw/zinc/98/05/15/775980515.db2.gz PYRASPVGRPAFEI-QLPKVWCKSA-N 1 3 309.454 0.680 20 0 DCADHO Cn1nccc1CCN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228894886 776136047 /nfs/dbraw/zinc/13/60/47/776136047.db2.gz DVAZFMKRMDOYAM-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001230284962 776276326 /nfs/dbraw/zinc/27/63/26/776276326.db2.gz ZDFKHCLPHFHDSG-HUUCEWRRSA-N 1 3 315.458 0.353 20 0 DCADHO C[NH+]1CCC(C)(CN2CC[C@H]3C[C@]32C(=O)NCC2COC2)CC1 ZINC001278022166 945099477 /nfs/dbraw/zinc/09/94/77/945099477.db2.gz QKDLMFMOARWLFV-MAUKXSAKSA-N 1 3 321.465 0.945 20 0 DCADHO C[C@]1(CN)CCCC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC001246585020 945436303 /nfs/dbraw/zinc/43/63/03/945436303.db2.gz NTCBOIVBBOZSLH-CQSZACIVSA-N 1 3 303.472 0.861 20 0 DCADHO C[C@]1(CN)CCCC[N@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC001246585020 945436306 /nfs/dbraw/zinc/43/63/06/945436306.db2.gz NTCBOIVBBOZSLH-CQSZACIVSA-N 1 3 303.472 0.861 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273018743 945195843 /nfs/dbraw/zinc/19/58/43/945195843.db2.gz NYQQYJAOUUQPST-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273018743 945195848 /nfs/dbraw/zinc/19/58/48/945195848.db2.gz NYQQYJAOUUQPST-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCO[C@@H]2CC2(F)F)CCC1 ZINC001266724219 939220924 /nfs/dbraw/zinc/22/09/24/939220924.db2.gz IIJNQOPXOLPIFR-GFCCVEGCSA-N 1 3 319.396 0.943 20 0 DCADHO CN1CCC[C@@H](N[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001267022384 939314310 /nfs/dbraw/zinc/31/43/10/939314310.db2.gz HEQPKFZULONOAF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001480946075 939466146 /nfs/dbraw/zinc/46/61/46/939466146.db2.gz IPYBNWOMJHOING-VXGBXAGGSA-N 1 3 305.369 0.410 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001480946075 939466148 /nfs/dbraw/zinc/46/61/48/939466148.db2.gz IPYBNWOMJHOING-VXGBXAGGSA-N 1 3 305.369 0.410 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C)C1CCC1 ZINC001408845238 939693628 /nfs/dbraw/zinc/69/36/28/939693628.db2.gz SHWNTDKBXBENPR-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001408845398 939693714 /nfs/dbraw/zinc/69/37/14/939693714.db2.gz WXMZLMCIFQXEMX-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481301754 939730670 /nfs/dbraw/zinc/73/06/70/939730670.db2.gz CEGBZHIYEACPJM-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CCn1cccn1 ZINC001268011648 939734178 /nfs/dbraw/zinc/73/41/78/939734178.db2.gz KQYOPPIRCLHQQM-LBPRGKRZSA-N 1 3 304.398 0.499 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001481319369 939746457 /nfs/dbraw/zinc/74/64/57/939746457.db2.gz BNPFBMAGKCOUBW-UHFFFAOYSA-N 1 3 320.437 0.674 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481436008 939789863 /nfs/dbraw/zinc/78/98/63/939789863.db2.gz WRNIXFUWYLWJHI-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481436008 939789864 /nfs/dbraw/zinc/78/98/64/939789864.db2.gz WRNIXFUWYLWJHI-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001481874335 940167904 /nfs/dbraw/zinc/16/79/04/940167904.db2.gz GFIIKGSACKCJDL-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001481874335 940167905 /nfs/dbraw/zinc/16/79/05/940167905.db2.gz GFIIKGSACKCJDL-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO NC(=O)CNCC1(NC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001481913475 940180025 /nfs/dbraw/zinc/18/00/25/940180025.db2.gz XFAYFEDCYDXSKN-UHFFFAOYSA-N 1 3 310.442 0.366 20 0 DCADHO CCN(CC[NH2+]CCn1cncn1)C(=O)CN1CCC(C)CC1 ZINC001268487942 940185303 /nfs/dbraw/zinc/18/53/03/940185303.db2.gz XNMDKDHWCLLCGG-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268588620 940270787 /nfs/dbraw/zinc/27/07/87/940270787.db2.gz UEUPMYSMGUTSRS-SZZPACECSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268588619 940271642 /nfs/dbraw/zinc/27/16/42/940271642.db2.gz UEUPMYSMGUTSRS-GFUIURDCSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001268590468 940272381 /nfs/dbraw/zinc/27/23/81/940272381.db2.gz GVMOKRFCSOLHGQ-QAMKJQMISA-N 1 3 310.442 0.067 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001268590468 940272383 /nfs/dbraw/zinc/27/23/83/940272383.db2.gz GVMOKRFCSOLHGQ-QAMKJQMISA-N 1 3 310.442 0.067 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C/C=C\CNC(=O)CN2CCCC2)n1 ZINC001268624919 940307044 /nfs/dbraw/zinc/30/70/44/940307044.db2.gz ILKANTFWNZNTNK-ARJAWSKDSA-N 1 3 320.441 0.253 20 0 DCADHO O[C@]1(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]C1 ZINC001246045131 945329066 /nfs/dbraw/zinc/32/90/66/945329066.db2.gz KCZKZTBJICAJQL-BRWVUGGUSA-N 1 3 307.413 0.913 20 0 DCADHO CCOC(=O)N1CCC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246082875 945333785 /nfs/dbraw/zinc/33/37/85/945333785.db2.gz MXCMHGRBEISJCD-VNHYZAJKSA-N 1 3 317.405 0.650 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001482357001 941019295 /nfs/dbraw/zinc/01/92/95/941019295.db2.gz UTWVWCQZOXXFIV-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365275 941022841 /nfs/dbraw/zinc/02/28/41/941022841.db2.gz UNCMTARDGAYFNG-GXTWGEPZSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482365275 941022845 /nfs/dbraw/zinc/02/28/45/941022845.db2.gz UNCMTARDGAYFNG-GXTWGEPZSA-N 1 3 307.442 0.617 20 0 DCADHO CC(C)C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001482386317 941033390 /nfs/dbraw/zinc/03/33/90/941033390.db2.gz SNCISJRUPNWKCW-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1nnc(CN[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001482427586 941217378 /nfs/dbraw/zinc/21/73/78/941217378.db2.gz BXMRCLPEDAFUSD-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001482839664 941686020 /nfs/dbraw/zinc/68/60/20/941686020.db2.gz LZZDHTIJTJSBKU-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001482871798 941695013 /nfs/dbraw/zinc/69/50/13/941695013.db2.gz SBXHBOCXGPRFCY-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)Cc1c[nH]cn1 ZINC001482952584 941722546 /nfs/dbraw/zinc/72/25/46/941722546.db2.gz PGSMHQZBIZAWJD-CYBMUJFWSA-N 1 3 317.397 0.169 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001409432515 941997130 /nfs/dbraw/zinc/99/71/30/941997130.db2.gz MAIFNNXWUDWVBL-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO C[C@H](CN(C)CCOCC(F)F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483416362 942344431 /nfs/dbraw/zinc/34/44/31/942344431.db2.gz AOYBEOINHCMWTD-NEPJUHHUSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@H](CN(C)CCOCC(F)F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483416362 942344433 /nfs/dbraw/zinc/34/44/33/942344433.db2.gz AOYBEOINHCMWTD-NEPJUHHUSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1)C(N)=O ZINC001483559983 942418140 /nfs/dbraw/zinc/41/81/40/942418140.db2.gz ABPYBAWQTZKEPM-OCCSQVGLSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001127066563 942424766 /nfs/dbraw/zinc/42/47/66/942424766.db2.gz QAZHYRWRVNHIKT-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001127066563 942424768 /nfs/dbraw/zinc/42/47/68/942424768.db2.gz QAZHYRWRVNHIKT-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(=O)NC ZINC001483616997 942468046 /nfs/dbraw/zinc/46/80/46/942468046.db2.gz VMNOPRAIYPIWHG-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCCF)[NH+]1CCCCC1 ZINC001272582890 942848187 /nfs/dbraw/zinc/84/81/87/942848187.db2.gz CPIKICLYOBXRKS-KBPBESRZSA-N 1 3 303.422 0.533 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001483794940 942958195 /nfs/dbraw/zinc/95/81/95/942958195.db2.gz YPCZOYRXBVKJJE-KBPBESRZSA-N 1 3 320.441 0.389 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCn1cccn1 ZINC001483945557 943042644 /nfs/dbraw/zinc/04/26/44/943042644.db2.gz ASVLPCYVLROXHY-AWEZNQCLSA-N 1 3 302.382 0.430 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483955768 943052865 /nfs/dbraw/zinc/05/28/65/943052865.db2.gz RCSMZXONRPYYKY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483955768 943052874 /nfs/dbraw/zinc/05/28/74/943052874.db2.gz RCSMZXONRPYYKY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001484389966 943346544 /nfs/dbraw/zinc/34/65/44/943346544.db2.gz BJGNQBABGNFVEE-BTTYYORXSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001484389966 943346547 /nfs/dbraw/zinc/34/65/47/943346547.db2.gz BJGNQBABGNFVEE-BTTYYORXSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001484678969 943509424 /nfs/dbraw/zinc/50/94/24/943509424.db2.gz TWTOIMFRAWNKHN-OLZOCXBDSA-N 1 3 307.385 0.453 20 0 DCADHO CCOCC[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001484965166 943635462 /nfs/dbraw/zinc/63/54/62/943635462.db2.gz VPLXGHBQEVCZDV-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1)N(C)C ZINC001490948031 943685082 /nfs/dbraw/zinc/68/50/82/943685082.db2.gz IBPQTDXBKUUUPY-FDYHWXHSSA-N 1 3 319.396 0.988 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001491026444 943714818 /nfs/dbraw/zinc/71/48/18/943714818.db2.gz YOUNALHKMZNQSY-GASCZTMLSA-N 1 3 319.453 0.950 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001491027256 943719047 /nfs/dbraw/zinc/71/90/47/943719047.db2.gz IGNQZRHPWPGLJF-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001491027256 943719050 /nfs/dbraw/zinc/71/90/50/943719050.db2.gz IGNQZRHPWPGLJF-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(CNCC(N)=O)CCCCC1 ZINC001485449278 943943688 /nfs/dbraw/zinc/94/36/88/943943688.db2.gz KBFKWUXDXQYCRZ-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC1(CNCC(N)=O)CCCCC1 ZINC001485449278 943943692 /nfs/dbraw/zinc/94/36/92/943943692.db2.gz KBFKWUXDXQYCRZ-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366875656 944182980 /nfs/dbraw/zinc/18/29/80/944182980.db2.gz WZYPXOIUNIDDBS-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366875656 944182982 /nfs/dbraw/zinc/18/29/82/944182982.db2.gz WZYPXOIUNIDDBS-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCCN2Cc2cnccc2N)C1=O ZINC001272809413 944242110 /nfs/dbraw/zinc/24/21/10/944242110.db2.gz VMKOYRASDHVKAM-QGZVFWFLSA-N 1 3 317.437 0.623 20 0 DCADHO COCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001276802756 944304471 /nfs/dbraw/zinc/30/44/71/944304471.db2.gz VVRUTHSQPQZXLC-JSGCOSHPSA-N 1 3 310.398 0.194 20 0 DCADHO COCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001276820539 944314385 /nfs/dbraw/zinc/31/43/85/944314385.db2.gz MVORVKKQUIBQPT-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001485892740 944387242 /nfs/dbraw/zinc/38/72/42/944387242.db2.gz DHXYCMCTPLPEAH-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485892740 944387249 /nfs/dbraw/zinc/38/72/49/944387249.db2.gz DHXYCMCTPLPEAH-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001485945325 944425760 /nfs/dbraw/zinc/42/57/60/944425760.db2.gz VRKVIDCSVMDRNQ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001485945325 944425763 /nfs/dbraw/zinc/42/57/63/944425763.db2.gz VRKVIDCSVMDRNQ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001485960200 944448617 /nfs/dbraw/zinc/44/86/17/944448617.db2.gz BJUCQOJXQAOBEH-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001486135786 944590622 /nfs/dbraw/zinc/59/06/22/944590622.db2.gz QSXPWHXDCIPCJJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CC[C@@H](N(CCCNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001316921925 944650971 /nfs/dbraw/zinc/65/09/71/944650971.db2.gz GXBZQZYXZNRUAG-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486233723 944683614 /nfs/dbraw/zinc/68/36/14/944683614.db2.gz CWXAAUUTNUZELV-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001486233723 944683619 /nfs/dbraw/zinc/68/36/19/944683619.db2.gz CWXAAUUTNUZELV-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C)C(N)=O ZINC001486411581 944864049 /nfs/dbraw/zinc/86/40/49/944864049.db2.gz NYCKRYPLZHHLLL-VXGBXAGGSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H](C(=O)N(C)C)N(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001494157527 944905314 /nfs/dbraw/zinc/90/53/14/944905314.db2.gz OUWPRPGLOBAJTO-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001486482893 944917812 /nfs/dbraw/zinc/91/78/12/944917812.db2.gz XKGHKWUDDRSVEX-NFOMZHRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+]1CCC(CN2CC[C@@H]3C[C@@]32C(=O)NCC2COC2)CC1 ZINC001277797624 944980919 /nfs/dbraw/zinc/98/09/19/944980919.db2.gz UMBOYVOKYCRQMX-WBVHZDCISA-N 1 3 307.438 0.555 20 0 DCADHO C[NH+]1CCC(CCN2CC[C@@H]3C[C@@]32C(=O)NCC2COC2)CC1 ZINC001277838586 945002951 /nfs/dbraw/zinc/00/29/51/945002951.db2.gz MPALVMWGZPSBLB-AEFFLSMTSA-N 1 3 321.465 0.945 20 0 DCADHO C[C@H](O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001277959699 945061531 /nfs/dbraw/zinc/06/15/31/945061531.db2.gz BHFIWZORBHGJRL-NUEKZKHPSA-N 1 3 321.465 0.822 20 0 DCADHO C[C@H](O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001277959699 945061541 /nfs/dbraw/zinc/06/15/41/945061541.db2.gz BHFIWZORBHGJRL-NUEKZKHPSA-N 1 3 321.465 0.822 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001486912447 945390375 /nfs/dbraw/zinc/39/03/75/945390375.db2.gz UGHDVPFYVXSREU-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001246417949 945407051 /nfs/dbraw/zinc/40/70/51/945407051.db2.gz PWEZERLQVUCLDK-CVEARBPZSA-N 1 3 304.438 0.833 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]CCO)CCCC[C@H]1C ZINC001318757050 945440260 /nfs/dbraw/zinc/44/02/60/945440260.db2.gz GFUUAOQTYINLOE-MLGOLLRUSA-N 1 3 308.426 0.908 20 0 DCADHO O=C1[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]2CN1Cc1ccncc1 ZINC001246728480 945475120 /nfs/dbraw/zinc/47/51/20/945475120.db2.gz KPRYCIJITBOVQV-XHSDSOJGSA-N 1 3 300.406 0.724 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]21)NCC1CC1 ZINC001246746857 945480367 /nfs/dbraw/zinc/48/03/67/945480367.db2.gz PARDPKZFGUJQPT-VQHPVUNQSA-N 1 3 321.465 0.849 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CCN1 ZINC001246805491 945493708 /nfs/dbraw/zinc/49/37/08/945493708.db2.gz NSJXOGBMVFICDA-ABHRYQDASA-N 1 3 303.410 0.455 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CCN1 ZINC001246805491 945493711 /nfs/dbraw/zinc/49/37/11/945493711.db2.gz NSJXOGBMVFICDA-ABHRYQDASA-N 1 3 303.410 0.455 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246886358 945513706 /nfs/dbraw/zinc/51/37/06/945513706.db2.gz KEHPARUQYUPTCZ-DOTOQJQBSA-N 1 3 324.469 0.040 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001319438222 945589081 /nfs/dbraw/zinc/58/90/81/945589081.db2.gz YMHRRCQWPDDQID-JSGCOSHPSA-N 1 3 323.441 0.841 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001319533725 945612923 /nfs/dbraw/zinc/61/29/23/945612923.db2.gz JMPNKNWLZGIMCL-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C)N(C)C ZINC001320615237 945949506 /nfs/dbraw/zinc/94/95/06/945949506.db2.gz QRDGTBJDRKBMHE-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCCN(CCO)C2 ZINC001410181105 945993595 /nfs/dbraw/zinc/99/35/95/945993595.db2.gz RUMPJTMRGSZJSH-UHFFFAOYSA-N 1 3 309.454 0.779 20 0 DCADHO CN1C(=O)CC[C@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945954 946037871 /nfs/dbraw/zinc/03/78/71/946037871.db2.gz KDUCQBVWLCWDCZ-FUHWJXTLSA-N 1 3 317.433 0.834 20 0 DCADHO CN1C(=O)CC[C@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945954 946037885 /nfs/dbraw/zinc/03/78/85/946037885.db2.gz KDUCQBVWLCWDCZ-FUHWJXTLSA-N 1 3 317.433 0.834 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001410233425 946069677 /nfs/dbraw/zinc/06/96/77/946069677.db2.gz WVLRWESKYYMJIT-IHRRRGAJSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001253181145 946085192 /nfs/dbraw/zinc/08/51/92/946085192.db2.gz AVGRVRHMJQISQI-XHSDSOJGSA-N 1 3 309.454 0.489 20 0 DCADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001253181145 946085202 /nfs/dbraw/zinc/08/52/02/946085202.db2.gz AVGRVRHMJQISQI-XHSDSOJGSA-N 1 3 309.454 0.489 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)N(C)C)C1 ZINC001253212254 946094831 /nfs/dbraw/zinc/09/48/31/946094831.db2.gz GXLDOADGIUGPPT-ZIAGYGMSSA-N 1 3 300.447 0.425 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001253212576 946097130 /nfs/dbraw/zinc/09/71/30/946097130.db2.gz NPNSNAXVBVECOL-HZPDHXFCSA-N 1 3 320.437 0.588 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)N1CCCC1 ZINC001410435589 946366183 /nfs/dbraw/zinc/36/61/83/946366183.db2.gz MBDDVXDUDOQFSO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)N1CCCC1 ZINC001410435589 946366196 /nfs/dbraw/zinc/36/61/96/946366196.db2.gz MBDDVXDUDOQFSO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001410435589 946366209 /nfs/dbraw/zinc/36/62/09/946366209.db2.gz MBDDVXDUDOQFSO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cccnn3)C2)C1=O ZINC001273268933 946376387 /nfs/dbraw/zinc/37/63/87/946376387.db2.gz PSEIKJUOTQDJKD-MRXNPFEDSA-N 1 3 303.410 0.463 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001410451681 946397291 /nfs/dbraw/zinc/39/72/91/946397291.db2.gz NWWKSLDGTSKAKB-AAEUAGOBSA-N 1 3 317.397 0.168 20 0 DCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC[C@@H](O)C[NH3+])CS2 ZINC001254682199 946420128 /nfs/dbraw/zinc/42/01/28/946420128.db2.gz XKQDSRACUMMUBV-MNOVXSKESA-N 1 3 317.455 0.391 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NCC1CCC1 ZINC001410511386 946502328 /nfs/dbraw/zinc/50/23/28/946502328.db2.gz SEXYNSWBEBFSCC-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001410512385 946506321 /nfs/dbraw/zinc/50/63/21/946506321.db2.gz NXYXMEGEOXDOGN-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001410726323 946846313 /nfs/dbraw/zinc/84/63/13/946846313.db2.gz ARLMEAHFQPMQNF-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001410726323 946846326 /nfs/dbraw/zinc/84/63/26/946846326.db2.gz ARLMEAHFQPMQNF-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001410746288 946883493 /nfs/dbraw/zinc/88/34/93/946883493.db2.gz WYHJJWLNNDUCLO-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001410746288 946883500 /nfs/dbraw/zinc/88/35/00/946883500.db2.gz WYHJJWLNNDUCLO-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001410861223 947044395 /nfs/dbraw/zinc/04/43/95/947044395.db2.gz RBRFSQABZGYPBA-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1C ZINC001410876451 947071002 /nfs/dbraw/zinc/07/10/02/947071002.db2.gz KUTOUMVLFJFHTB-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C[C@@H](O)CNCc1cncc(F)c1)C(=O)CC[NH+](C)C ZINC001411080499 947301883 /nfs/dbraw/zinc/30/18/83/947301883.db2.gz MFOQNNQFZXXDOK-AWEZNQCLSA-N 1 3 312.389 0.081 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCn1cccn1 ZINC001324273163 947371948 /nfs/dbraw/zinc/37/19/48/947371948.db2.gz IBKKUHSQIJZTTN-OAHLLOKOSA-N 1 3 305.426 0.560 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001411250763 947542197 /nfs/dbraw/zinc/54/21/97/947542197.db2.gz YLGNWGSSBIQRMK-YIZWMMSDSA-N 1 3 308.430 0.234 20 0 DCADHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cc(Cl)n1 ZINC001263155760 947814587 /nfs/dbraw/zinc/81/45/87/947814587.db2.gz FHVCCNMNOYMFBB-RYUDHWBXSA-N 1 3 324.812 0.680 20 0 DCADHO C[NH+](C)CCN1C(=O)COCC12CN(C[C@H]1CC=CCC1)C2 ZINC001273515134 947935747 /nfs/dbraw/zinc/93/57/47/947935747.db2.gz KJABTRCRQNZNIQ-HNNXBMFYSA-N 1 3 307.438 0.818 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273610485 947979288 /nfs/dbraw/zinc/97/92/88/947979288.db2.gz OISBXBBIZGSUJU-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273610485 947979293 /nfs/dbraw/zinc/97/92/93/947979293.db2.gz OISBXBBIZGSUJU-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNCc2cccnc2)C1 ZINC001326134155 948064391 /nfs/dbraw/zinc/06/43/91/948064391.db2.gz BHIUTUTYOVLQEM-OAHLLOKOSA-N 1 3 320.437 0.334 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNCc2cccnc2)C1 ZINC001326134155 948064400 /nfs/dbraw/zinc/06/44/00/948064400.db2.gz BHIUTUTYOVLQEM-OAHLLOKOSA-N 1 3 320.437 0.334 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCCCC(N)=O)C2)C1=O ZINC001273761401 948073594 /nfs/dbraw/zinc/07/35/94/948073594.db2.gz KBNWRHNGNCZACQ-KRWDZBQOSA-N 1 3 324.469 0.518 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCCCC(N)=O)C2)C1=O ZINC001273761401 948073605 /nfs/dbraw/zinc/07/36/05/948073605.db2.gz KBNWRHNGNCZACQ-KRWDZBQOSA-N 1 3 324.469 0.518 20 0 DCADHO NC1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1 ZINC001326611840 948216005 /nfs/dbraw/zinc/21/60/05/948216005.db2.gz MLUUOPCURYNJTK-UHFFFAOYSA-N 1 3 322.453 0.318 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001487787736 948277181 /nfs/dbraw/zinc/27/71/81/948277181.db2.gz YHPVUKQQJCVMAP-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001487909677 948353170 /nfs/dbraw/zinc/35/31/70/948353170.db2.gz PVGXXUFLEVZXHJ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N1CCO[C@H](CNCCF)C1)[NH+]1CCCC1 ZINC001327082639 948389682 /nfs/dbraw/zinc/38/96/82/948389682.db2.gz WARSGZIHBPXSBV-HUUCEWRRSA-N 1 3 315.433 0.893 20 0 DCADHO COCC[NH2+][C@]1(CO)CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001327570794 948556319 /nfs/dbraw/zinc/55/63/19/948556319.db2.gz ZPRSJPXRWZOIQU-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CCCF)C1)N(C)C ZINC001273928771 948686404 /nfs/dbraw/zinc/68/64/04/948686404.db2.gz DSUKWEKBGQZHQB-HOCLYGCPSA-N 1 3 317.449 0.875 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001488857639 949271631 /nfs/dbraw/zinc/27/16/31/949271631.db2.gz CNKNMVMDWDPNMD-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001488879616 949345455 /nfs/dbraw/zinc/34/54/55/949345455.db2.gz FJHWDIDJIJLYLO-ZQDZILKHSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001488950618 949383835 /nfs/dbraw/zinc/38/38/35/949383835.db2.gz DGVMTNVQXBGDEF-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(N(C)C)nc2)CC1 ZINC001364860606 950090493 /nfs/dbraw/zinc/09/04/93/950090493.db2.gz GETPBFBPEZIXCC-OAHLLOKOSA-N 1 3 320.485 0.906 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001489787561 950106853 /nfs/dbraw/zinc/10/68/53/950106853.db2.gz LQWFQYFPSQXKEH-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001489787561 950106877 /nfs/dbraw/zinc/10/68/77/950106877.db2.gz LQWFQYFPSQXKEH-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[N@H+](CCO)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001490250094 950459414 /nfs/dbraw/zinc/45/94/14/950459414.db2.gz BDNGNZRPCOLYRT-HNNXBMFYSA-N 1 3 303.422 0.629 20 0 DCADHO C[N@@H+](CCO)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001490250094 950459428 /nfs/dbraw/zinc/45/94/28/950459428.db2.gz BDNGNZRPCOLYRT-HNNXBMFYSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001490303600 950513863 /nfs/dbraw/zinc/51/38/63/950513863.db2.gz OFIHLXOYFYSBLI-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001490330614 950582021 /nfs/dbraw/zinc/58/20/21/950582021.db2.gz DSYMZBUBKGXKRN-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001490330614 950582031 /nfs/dbraw/zinc/58/20/31/950582031.db2.gz DSYMZBUBKGXKRN-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C1CCC1)[C@H]1CCN(C)C1=O ZINC001490331674 950582588 /nfs/dbraw/zinc/58/25/88/950582588.db2.gz WUANOANRLNJWCP-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)[C@H]1CCN(C)C1=O ZINC001490331674 950582602 /nfs/dbraw/zinc/58/26/02/950582602.db2.gz WUANOANRLNJWCP-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001279717247 950677123 /nfs/dbraw/zinc/67/71/23/950677123.db2.gz LQAQVBCZZKDOMR-HUUCEWRRSA-N 1 3 315.433 0.487 20 0 DCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001365192102 950703096 /nfs/dbraw/zinc/70/30/96/950703096.db2.gz DDUNYGFUNGWAKN-KBMXLJTQSA-N 1 3 309.454 0.942 20 0 DCADHO Cn1cnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC001365204511 950733374 /nfs/dbraw/zinc/73/33/74/950733374.db2.gz DGAVOBCBLABFDA-UHFFFAOYSA-N 1 3 321.429 0.495 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC001490725812 951041140 /nfs/dbraw/zinc/04/11/40/951041140.db2.gz ANJILVJUCDITQZ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC001490725812 951041154 /nfs/dbraw/zinc/04/11/54/951041154.db2.gz ANJILVJUCDITQZ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1cncn1C)C1CC1 ZINC001490742742 951071852 /nfs/dbraw/zinc/07/18/52/951071852.db2.gz SOVYZNRZYRCKFI-OAHLLOKOSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CCCCC1 ZINC001331470705 951131260 /nfs/dbraw/zinc/13/12/60/951131260.db2.gz RPAXNVXCMDOUBP-KFWWJZLASA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001274025461 951338276 /nfs/dbraw/zinc/33/82/76/951338276.db2.gz MBRARGOFYCVYNK-KBIGUFJUSA-N 1 3 308.426 0.010 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001274025461 951338287 /nfs/dbraw/zinc/33/82/87/951338287.db2.gz MBRARGOFYCVYNK-KBIGUFJUSA-N 1 3 308.426 0.010 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001332154899 951501589 /nfs/dbraw/zinc/50/15/89/951501589.db2.gz GOLSZANUXYTKHG-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCOCC1CC1 ZINC001274262088 951523641 /nfs/dbraw/zinc/52/36/41/951523641.db2.gz XWHYDFLHDAHYDK-DOMZBBRYSA-N 1 3 306.410 0.815 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001281617877 951563000 /nfs/dbraw/zinc/56/30/00/951563000.db2.gz CZZJQQKTXQUODN-ZDUSSCGKSA-N 1 3 301.406 0.383 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001365846351 951611116 /nfs/dbraw/zinc/61/11/16/951611116.db2.gz DDKHGDDVBAFXHP-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](F)CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001332521848 951679160 /nfs/dbraw/zinc/67/91/60/951679160.db2.gz JMDLQCAJMIBVKQ-QWHCGFSZSA-N 1 3 303.422 0.628 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001274579732 951712477 /nfs/dbraw/zinc/71/24/77/951712477.db2.gz WMXVHKLYJSRNIP-CYSIVNQBSA-N 1 3 324.469 0.457 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001274579732 951712478 /nfs/dbraw/zinc/71/24/78/951712478.db2.gz WMXVHKLYJSRNIP-CYSIVNQBSA-N 1 3 324.469 0.457 20 0 DCADHO Cn1cncc1N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274758631 951825287 /nfs/dbraw/zinc/82/52/87/951825287.db2.gz LIPANDFDDYRCMN-MRXNPFEDSA-N 1 3 321.425 0.037 20 0 DCADHO CC(C)C[NH+]1CCC(NCCC(=O)N2CCN(C)CC2)CC1 ZINC001258003164 953073258 /nfs/dbraw/zinc/07/32/58/953073258.db2.gz DSLKNCQZWBWXKD-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001339589780 953104814 /nfs/dbraw/zinc/10/48/14/953104814.db2.gz VRLSAKIUVTVZGP-HNNXBMFYSA-N 1 3 322.453 0.307 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@H](C)O1 ZINC001341570932 953237846 /nfs/dbraw/zinc/23/78/46/953237846.db2.gz KHQRLYATVGXPGE-CTASWTNQSA-N 1 3 313.442 0.105 20 0 DCADHO [NH3+]CCN1CCC[C@@H](C(=O)Nc2ccc3c(c2)CNC3)C1=O ZINC001341779167 953250544 /nfs/dbraw/zinc/25/05/44/953250544.db2.gz WLNDMVSEPHQLFG-AWEZNQCLSA-N 1 3 302.378 0.426 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001366081368 953659591 /nfs/dbraw/zinc/65/95/91/953659591.db2.gz NFAYOSLMVOHHGM-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nnn2CC)C1)N(C)C ZINC001366124534 953717693 /nfs/dbraw/zinc/71/76/93/953717693.db2.gz DUOWUXZOBIXHQW-IHRRRGAJSA-N 1 3 322.457 0.683 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366146804 953740309 /nfs/dbraw/zinc/74/03/09/953740309.db2.gz CLRZJDTVDUXIJM-OKILXGFUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)OCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001282926544 953775039 /nfs/dbraw/zinc/77/50/39/953775039.db2.gz XZKXHDIJUKJUGD-HIFRSBDPSA-N 1 3 324.425 0.583 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366201853 953816200 /nfs/dbraw/zinc/81/62/00/953816200.db2.gz KZZRVGFKDDHYIA-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366200462 953816309 /nfs/dbraw/zinc/81/63/09/953816309.db2.gz QRZNIZGOHGTAQO-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001366217426 953844150 /nfs/dbraw/zinc/84/41/50/953844150.db2.gz LXLTZDYIYQVXSJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]21)N(C)C ZINC001366238071 953874190 /nfs/dbraw/zinc/87/41/90/953874190.db2.gz RHVCPFNEUJVZOX-AALSBFMBSA-N 1 3 311.470 0.780 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@H](C)O)C[C@H]21)N(C)C ZINC001366238071 953874203 /nfs/dbraw/zinc/87/42/03/953874203.db2.gz RHVCPFNEUJVZOX-AALSBFMBSA-N 1 3 311.470 0.780 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001283064408 953969895 /nfs/dbraw/zinc/96/98/95/953969895.db2.gz SMGSVKVJTYITOS-UHFFFAOYSA-N 1 3 321.425 0.369 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCN(C)C1=O ZINC001366297694 953976852 /nfs/dbraw/zinc/97/68/52/953976852.db2.gz ZIGDJGJXWUMWDF-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2cnn(C)c2)CC[N@@H+]1C ZINC001366298625 953981716 /nfs/dbraw/zinc/98/17/16/953981716.db2.gz YHTGKFQRRWCYAX-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2cnn(C)c2)CC[N@H+]1C ZINC001366298625 953981721 /nfs/dbraw/zinc/98/17/21/953981721.db2.gz YHTGKFQRRWCYAX-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001366300994 953984888 /nfs/dbraw/zinc/98/48/88/953984888.db2.gz KJBWXJCFILZBCI-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001366300994 953984893 /nfs/dbraw/zinc/98/48/93/953984893.db2.gz KJBWXJCFILZBCI-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC001346950065 953988731 /nfs/dbraw/zinc/98/87/31/953988731.db2.gz QFBBAXJZZJKHST-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC/C=C\CO)CC2)CC1 ZINC001347239497 954053835 /nfs/dbraw/zinc/05/38/35/954053835.db2.gz XAVVDGLYVOGOFU-IHWYPQMZSA-N 1 3 310.442 0.393 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366396278 954147880 /nfs/dbraw/zinc/14/78/80/954147880.db2.gz BHAUNEBQFQZNIS-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001366407608 954161368 /nfs/dbraw/zinc/16/13/68/954161368.db2.gz GUOSJFJGNFVHFY-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001283289509 954222660 /nfs/dbraw/zinc/22/26/60/954222660.db2.gz GWHFTTVPRDVXIU-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)C1=O ZINC001366510139 954302377 /nfs/dbraw/zinc/30/23/77/954302377.db2.gz HHFAHDPNQODXSF-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CCNC(=O)CC[NH+]1CCCCC1)CCc1ccnn1C ZINC001366599102 954488830 /nfs/dbraw/zinc/48/88/30/954488830.db2.gz ZKFJPTPFVLSTSC-UHFFFAOYSA-N 1 3 321.469 0.887 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001349070233 954590941 /nfs/dbraw/zinc/59/09/41/954590941.db2.gz VFQBVNHRDXZRHT-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(N)=O ZINC001366827018 954900221 /nfs/dbraw/zinc/90/02/21/954900221.db2.gz PVZRYGXGGCJUKJ-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C)C(N)=O ZINC001366827018 954900228 /nfs/dbraw/zinc/90/02/28/954900228.db2.gz PVZRYGXGGCJUKJ-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CCCC(=O)NCC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001366832120 954905586 /nfs/dbraw/zinc/90/55/86/954905586.db2.gz FVLZOSILKSAWIC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366836307 954909068 /nfs/dbraw/zinc/90/90/68/954909068.db2.gz QKHIHOIJMOCYDX-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001366837440 954914357 /nfs/dbraw/zinc/91/43/57/954914357.db2.gz UMDMGAFDJWYYHI-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366854604 954940696 /nfs/dbraw/zinc/94/06/96/954940696.db2.gz SPZSYMWFFMXWTQ-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366854604 954940701 /nfs/dbraw/zinc/94/07/01/954940701.db2.gz SPZSYMWFFMXWTQ-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCOCCO)C(C)(C)C1 ZINC001284349510 955026154 /nfs/dbraw/zinc/02/61/54/955026154.db2.gz PQMZXGRLMLAQOI-AWEZNQCLSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CCn1cncn1 ZINC001367099853 955312157 /nfs/dbraw/zinc/31/21/57/955312157.db2.gz IDPAGSBYHLGSNE-GJZGRUSLSA-N 1 3 322.457 0.635 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](CC)C(N)=O)CC1 ZINC001367199479 955453722 /nfs/dbraw/zinc/45/37/22/955453722.db2.gz PSWMQUSDZNNPEN-MGPQQGTHSA-N 1 3 312.458 0.609 20 0 DCADHO CN(C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001367213372 955466471 /nfs/dbraw/zinc/46/64/71/955466471.db2.gz ADOXPCUOAOABSH-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCCNC1=O ZINC001367242178 955510614 /nfs/dbraw/zinc/51/06/14/955510614.db2.gz KGMCFQDIHDFVGL-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001367252115 955532792 /nfs/dbraw/zinc/53/27/92/955532792.db2.gz ZZRWNAIHKRSZCM-ZFWWWQNUSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001367252115 955532810 /nfs/dbraw/zinc/53/28/10/955532810.db2.gz ZZRWNAIHKRSZCM-ZFWWWQNUSA-N 1 3 322.457 0.530 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N2CCC2)CCCC1)N(C)C ZINC001367325161 955643790 /nfs/dbraw/zinc/64/37/90/955643790.db2.gz SGUUATZPERZSNK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001293070553 957258904 /nfs/dbraw/zinc/25/89/04/957258904.db2.gz QQIIHSHPERSDQC-CYBMUJFWSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367404458 957776875 /nfs/dbraw/zinc/77/68/75/957776875.db2.gz MFRVKJMIGWALCN-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367404458 957776880 /nfs/dbraw/zinc/77/68/80/957776880.db2.gz MFRVKJMIGWALCN-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)C[C@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367422819 957797423 /nfs/dbraw/zinc/79/74/23/957797423.db2.gz AJSWYZJHJVHUBC-JKSUJKDBSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367422819 957797430 /nfs/dbraw/zinc/79/74/30/957797430.db2.gz AJSWYZJHJVHUBC-JKSUJKDBSA-N 1 3 321.469 0.992 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001367438352 957809591 /nfs/dbraw/zinc/80/95/91/957809591.db2.gz IQXNRVCEMQKUGW-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001367483555 957877380 /nfs/dbraw/zinc/87/73/80/957877380.db2.gz IYVRCIMJWBIWEG-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O)N1CCCCC1 ZINC001367567063 958060126 /nfs/dbraw/zinc/06/01/26/958060126.db2.gz WNOIZLHAGAFJSN-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO Cc1cnc(CNC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001367673144 958331129 /nfs/dbraw/zinc/33/11/29/958331129.db2.gz BNRMUPOCTMFJSV-BXUZGUMPSA-N 1 3 306.410 0.919 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367685534 958360756 /nfs/dbraw/zinc/36/07/56/958360756.db2.gz GRYKHEOGQXMIDI-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367685534 958360773 /nfs/dbraw/zinc/36/07/73/958360773.db2.gz GRYKHEOGQXMIDI-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367695343 958386248 /nfs/dbraw/zinc/38/62/48/958386248.db2.gz VCANWGOELRNMGK-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001367705489 958410325 /nfs/dbraw/zinc/41/03/25/958410325.db2.gz FKWVQOKRIXUKKC-IUODEOHRSA-N 1 3 320.437 0.720 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001367739898 958477180 /nfs/dbraw/zinc/47/71/80/958477180.db2.gz LWBQERPMZZRSDR-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367758914 958510914 /nfs/dbraw/zinc/51/09/14/958510914.db2.gz FGQRAQDYQLZILK-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001367854002 958714058 /nfs/dbraw/zinc/71/40/58/958714058.db2.gz VDCCCGFIDVSFQS-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001367854002 958714075 /nfs/dbraw/zinc/71/40/75/958714075.db2.gz VDCCCGFIDVSFQS-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001367924476 958875563 /nfs/dbraw/zinc/87/55/63/958875563.db2.gz WJNNFEBAIIFNLX-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H](C)CNC(=O)CCC[NH+](C)C)C1=O ZINC001376804020 958881220 /nfs/dbraw/zinc/88/12/20/958881220.db2.gz NWQZCPZLEITMPT-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001491635190 958984705 /nfs/dbraw/zinc/98/47/05/958984705.db2.gz ANQUFRHUTSDTQZ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001491604664 959026526 /nfs/dbraw/zinc/02/65/26/959026526.db2.gz ZWDJGENRLNNSBJ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001491604664 959026542 /nfs/dbraw/zinc/02/65/42/959026542.db2.gz ZWDJGENRLNNSBJ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H](C)C(N)=O ZINC001491683310 959044753 /nfs/dbraw/zinc/04/47/53/959044753.db2.gz SFLLFQRQOSLHKS-RYUDHWBXSA-N 1 3 306.410 0.330 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]C[C@H]2CCNC(=O)CC2)CC1)N(C)C ZINC001368015109 959096727 /nfs/dbraw/zinc/09/67/27/959096727.db2.gz RLMOHLJYBVFHTG-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001376905751 959107365 /nfs/dbraw/zinc/10/73/65/959107365.db2.gz VAHKFPMOBUTBPI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)NCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001491713819 959139366 /nfs/dbraw/zinc/13/93/66/959139366.db2.gz OHEPTXXDZXCMBD-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376945173 959181341 /nfs/dbraw/zinc/18/13/41/959181341.db2.gz XCCYMLYTESZLDI-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376967328 959221285 /nfs/dbraw/zinc/22/12/85/959221285.db2.gz SUVFQYUYHACXRM-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C[C@@H]1C ZINC001368111189 959261062 /nfs/dbraw/zinc/26/10/62/959261062.db2.gz WMCQLJBAMVREBL-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001368114513 959272267 /nfs/dbraw/zinc/27/22/67/959272267.db2.gz HFXFMUVEQPZPLK-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377099646 959464668 /nfs/dbraw/zinc/46/46/68/959464668.db2.gz PUYPSSPAOFNERU-LBPRGKRZSA-N 1 3 318.425 0.721 20 0 DCADHO CCN1CC[C@@H](N2CC[C@@H](CNC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001377464412 960142728 /nfs/dbraw/zinc/14/27/28/960142728.db2.gz PSKNYXUIPDTPTD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](N2CC[C@@H](CNC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001377464412 960142734 /nfs/dbraw/zinc/14/27/34/960142734.db2.gz PSKNYXUIPDTPTD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(N)=O ZINC001377597783 960340433 /nfs/dbraw/zinc/34/04/33/960340433.db2.gz XBANQGVMRIGLLZ-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(N)=O ZINC001377597783 960340442 /nfs/dbraw/zinc/34/04/42/960340442.db2.gz XBANQGVMRIGLLZ-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001377602546 960347312 /nfs/dbraw/zinc/34/73/12/960347312.db2.gz QYSDTEFEJOLNIJ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001377723176 960504569 /nfs/dbraw/zinc/50/45/69/960504569.db2.gz IEALQQFEAIIBKL-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N[C@H](C)C(N)=O ZINC001378309761 960554238 /nfs/dbraw/zinc/55/42/38/960554238.db2.gz FWXXRKTXTZLKPJ-TZMCWYRMSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)NCC(N)=O ZINC001378339260 960614312 /nfs/dbraw/zinc/61/43/12/960614312.db2.gz LHMVPJMWDXNQIJ-ZFWWWQNUSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC001377793416 960674328 /nfs/dbraw/zinc/67/43/28/960674328.db2.gz WAFONRTUJLSZAD-CYBMUJFWSA-N 1 3 312.458 0.371 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC001377793416 960674338 /nfs/dbraw/zinc/67/43/38/960674338.db2.gz WAFONRTUJLSZAD-CYBMUJFWSA-N 1 3 312.458 0.371 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001378493534 960862610 /nfs/dbraw/zinc/86/26/10/960862610.db2.gz HQPWREVFDKCQMI-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001378500110 960878944 /nfs/dbraw/zinc/87/89/44/960878944.db2.gz JNJWQUBRSOBSQK-KFWWJZLASA-N 1 3 315.458 0.161 20 0 DCADHO C[C@@H](NCc1ccnn1C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001377882970 960899739 /nfs/dbraw/zinc/89/97/39/960899739.db2.gz MNJDTMUHQRPPFO-CHWSQXEVSA-N 1 3 305.426 0.499 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@H]1CCN(C)C1=O ZINC001378582503 961071926 /nfs/dbraw/zinc/07/19/26/961071926.db2.gz AGZHTKSBVLSTDE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)nc1)N(C)C ZINC001378614433 961127784 /nfs/dbraw/zinc/12/77/84/961127784.db2.gz MUDKFHSDGQGTKU-SWLSCSKDSA-N 1 3 307.442 0.967 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN(CC)CC)C1 ZINC001430203956 1013241255 /nfs/dbraw/zinc/24/12/55/1013241255.db2.gz FSRACCQFMSUASB-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN(CC)CC)C1 ZINC001430203956 1013241257 /nfs/dbraw/zinc/24/12/57/1013241257.db2.gz FSRACCQFMSUASB-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001378788389 961478182 /nfs/dbraw/zinc/47/81/82/961478182.db2.gz KOKJVWWBEVVZGP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001378788389 961478195 /nfs/dbraw/zinc/47/81/95/961478195.db2.gz KOKJVWWBEVVZGP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001378860624 961618073 /nfs/dbraw/zinc/61/80/73/961618073.db2.gz UAJSGZNAVLAGPB-CHWSQXEVSA-N 1 3 320.437 0.672 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001378920274 961709784 /nfs/dbraw/zinc/70/97/84/961709784.db2.gz UHDAYXAZYPMGEU-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1cc(CN[C@H](CNC(=O)CC[NH+](C)C)C(C)C)ncn1 ZINC001378986887 961810987 /nfs/dbraw/zinc/81/09/87/961810987.db2.gz CILHKYBJOMFILE-OAHLLOKOSA-N 1 3 307.442 0.967 20 0 DCADHO O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001363758291 961821142 /nfs/dbraw/zinc/82/11/42/961821142.db2.gz WZOXYBUCTUJOOK-UONOGXRCSA-N 1 3 316.405 0.497 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379016332 961889258 /nfs/dbraw/zinc/88/92/58/961889258.db2.gz AJQHWSDBFUMJGO-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001379016332 961889292 /nfs/dbraw/zinc/88/92/92/961889292.db2.gz AJQHWSDBFUMJGO-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCCN(C)CC(=O)NCC(F)(F)F)CC[NH+](C)C ZINC001363793550 961893646 /nfs/dbraw/zinc/89/36/46/961893646.db2.gz FCVINXNUJPJETB-UHFFFAOYSA-N 1 3 312.380 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)NCC)CCC1 ZINC001447199585 1013306177 /nfs/dbraw/zinc/30/61/77/1013306177.db2.gz NVGSIIWPYLOSBI-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)NCC)CCC1 ZINC001447199585 1013306191 /nfs/dbraw/zinc/30/61/91/1013306191.db2.gz NVGSIIWPYLOSBI-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCCC1=O ZINC001379152438 962206769 /nfs/dbraw/zinc/20/67/69/962206769.db2.gz WFEONUNPMOXJFB-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@H](CN[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001379901455 962244957 /nfs/dbraw/zinc/24/49/57/962244957.db2.gz GALOIWNCFMTEQN-HUUCEWRRSA-N 1 3 322.453 0.091 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001379913385 962283034 /nfs/dbraw/zinc/28/30/34/962283034.db2.gz DGDUFYZNJAXRQU-TZMCWYRMSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001379913385 962283055 /nfs/dbraw/zinc/28/30/55/962283055.db2.gz DGDUFYZNJAXRQU-TZMCWYRMSA-N 1 3 320.441 0.439 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C/Cl ZINC001379231343 962418608 /nfs/dbraw/zinc/41/86/08/962418608.db2.gz QVZNKGLJTZSKPC-CIYHXPSUSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C/Cl ZINC001379231343 962418614 /nfs/dbraw/zinc/41/86/14/962418614.db2.gz QVZNKGLJTZSKPC-CIYHXPSUSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C/Cl ZINC001379231343 962418621 /nfs/dbraw/zinc/41/86/21/962418621.db2.gz QVZNKGLJTZSKPC-CIYHXPSUSA-N 1 3 324.252 0.856 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001379256624 962475265 /nfs/dbraw/zinc/47/52/65/962475265.db2.gz ULZICTQGWCZMQF-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnccc1C)N(C)C ZINC001379257014 962479113 /nfs/dbraw/zinc/47/91/13/962479113.db2.gz IXFGZCUMFGGOEW-HUUCEWRRSA-N 1 3 308.426 0.297 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001447292885 1013350451 /nfs/dbraw/zinc/35/04/51/1013350451.db2.gz ZBPPYARAOJXRGY-ZIAGYGMSSA-N 1 3 313.442 0.323 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379355856 962705592 /nfs/dbraw/zinc/70/55/92/962705592.db2.gz FUOBSDNPLLGHTO-OCCSQVGLSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001380173525 962827774 /nfs/dbraw/zinc/82/77/74/962827774.db2.gz YEKKSJRBKLDZGQ-ZDUSSCGKSA-N 1 3 320.441 0.344 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001380283239 962989033 /nfs/dbraw/zinc/98/90/33/962989033.db2.gz GLJUNFKCDACWBS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)CC[NH+]1CCCCC1 ZINC001379470984 962994758 /nfs/dbraw/zinc/99/47/58/962994758.db2.gz ZIWSWNDDQFZYMF-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380290491 962999219 /nfs/dbraw/zinc/99/92/19/962999219.db2.gz FHOWTOKTISTKII-SLTAFYQDSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380290491 962999226 /nfs/dbraw/zinc/99/92/26/962999226.db2.gz FHOWTOKTISTKII-SLTAFYQDSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001380291585 963001334 /nfs/dbraw/zinc/00/13/34/963001334.db2.gz MZJVPVDYPGOCRK-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001380334136 963050667 /nfs/dbraw/zinc/05/06/67/963050667.db2.gz MXYNYCKMVPYTQB-NFOMZHRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001379520797 963116700 /nfs/dbraw/zinc/11/67/00/963116700.db2.gz YDPYLULLLJBQQJ-MJBXVCDLSA-N 1 3 312.458 0.288 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@H]1C ZINC001379574374 963201948 /nfs/dbraw/zinc/20/19/48/963201948.db2.gz VSGBFZGKSAPFQB-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@H]1C ZINC001379574374 963201956 /nfs/dbraw/zinc/20/19/56/963201956.db2.gz VSGBFZGKSAPFQB-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001379581969 963214931 /nfs/dbraw/zinc/21/49/31/963214931.db2.gz HXFXHYAZCGFMED-ZIAGYGMSSA-N 1 3 322.453 0.186 20 0 DCADHO COCC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001380559015 963358188 /nfs/dbraw/zinc/35/81/88/963358188.db2.gz ONAJHAWRBCTEMV-INIZCTEOSA-N 1 3 315.458 0.164 20 0 DCADHO COCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001380559015 963358198 /nfs/dbraw/zinc/35/81/98/963358198.db2.gz ONAJHAWRBCTEMV-INIZCTEOSA-N 1 3 315.458 0.164 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)CC1 ZINC001380688909 963490201 /nfs/dbraw/zinc/49/02/01/963490201.db2.gz LAKHNGWMWJUISP-BTTYYORXSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH+]1CCC(C(=O)NCC2(NCC(=O)N3CCC3)CCC2)CC1 ZINC001380876635 963650552 /nfs/dbraw/zinc/65/05/52/963650552.db2.gz CWGGCTDEXSVYLI-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001380900047 963666872 /nfs/dbraw/zinc/66/68/72/963666872.db2.gz XYECOPRFWCFVSE-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001381241440 963916060 /nfs/dbraw/zinc/91/60/60/963916060.db2.gz ZZFKUNIBRDHVRE-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](NCC(=O)N(C)C1CC1)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001368875491 964077289 /nfs/dbraw/zinc/07/72/89/964077289.db2.gz YVMMPGYBBLGLEP-CHWSQXEVSA-N 1 3 324.469 0.432 20 0 DCADHO Cn1ccc(CNC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC001375236851 964160993 /nfs/dbraw/zinc/16/09/93/964160993.db2.gz BBWNWBWOFAQTGY-HZPDHXFCSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CNC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)n1 ZINC001375236851 964160999 /nfs/dbraw/zinc/16/09/99/964160999.db2.gz BBWNWBWOFAQTGY-HZPDHXFCSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@H](C(=O)NCC1(N[C@H]2CCCNC2=O)CC1)[NH+](CC)CC ZINC001375481082 964456858 /nfs/dbraw/zinc/45/68/58/964456858.db2.gz FNAOMAZIKVOEAZ-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001375519170 964504202 /nfs/dbraw/zinc/50/42/02/964504202.db2.gz PKKSOORJUNKLKO-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001447711762 1013510847 /nfs/dbraw/zinc/51/08/47/1013510847.db2.gz LJGNAKFNTGGZGK-HALDLXJZSA-N 1 3 324.469 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001447711762 1013510856 /nfs/dbraw/zinc/51/08/56/1013510856.db2.gz LJGNAKFNTGGZGK-HALDLXJZSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001369277497 964641544 /nfs/dbraw/zinc/64/15/44/964641544.db2.gz PRGVVVVZXCEGTP-NHYWBVRUSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001369277497 964641553 /nfs/dbraw/zinc/64/15/53/964641553.db2.gz PRGVVVVZXCEGTP-NHYWBVRUSA-N 1 3 316.421 0.121 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)c1n[nH]c(C)n1 ZINC001369290079 964662586 /nfs/dbraw/zinc/66/25/86/964662586.db2.gz OHPIEIHFADRVKW-NWDGAFQWSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)c1n[nH]c(C)n1 ZINC001369290079 964662594 /nfs/dbraw/zinc/66/25/94/964662594.db2.gz OHPIEIHFADRVKW-NWDGAFQWSA-N 1 3 310.446 0.952 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001373912944 964778119 /nfs/dbraw/zinc/77/81/19/964778119.db2.gz SPWSXDIMSFEHCB-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001373944950 964806653 /nfs/dbraw/zinc/80/66/53/964806653.db2.gz BNZBMYYYEONNEO-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(C2CC2)n1 ZINC001373966398 964828019 /nfs/dbraw/zinc/82/80/19/964828019.db2.gz LWYVKPZIYJFPBS-CYBMUJFWSA-N 1 3 320.441 0.714 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CC1CC(F)(F)C1 ZINC001369370648 964841676 /nfs/dbraw/zinc/84/16/76/964841676.db2.gz BLEXVLLSPFJBRF-LLVKDONJSA-N 1 3 316.352 0.373 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(C)C)C[C@H]1C ZINC001369409325 964922607 /nfs/dbraw/zinc/92/26/07/964922607.db2.gz VYMKNHRBRGXEEL-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(C)C)C[C@@H]1C ZINC001369409324 964926081 /nfs/dbraw/zinc/92/60/81/964926081.db2.gz VYMKNHRBRGXEEL-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001375889439 964959308 /nfs/dbraw/zinc/95/93/08/964959308.db2.gz MPWILRVFWLMALQ-MLGOLLRUSA-N 1 3 322.457 0.954 20 0 DCADHO Cc1nc([C@H](C)N[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)n[nH]1 ZINC001369431929 964966422 /nfs/dbraw/zinc/96/64/22/964966422.db2.gz CDTXLQOANAYSEV-WCQYABFASA-N 1 3 322.457 0.952 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1 ZINC001374068131 964970102 /nfs/dbraw/zinc/97/01/02/964970102.db2.gz GMUQDSCYYSXGIC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1)N(C)C ZINC001369438909 964974787 /nfs/dbraw/zinc/97/47/87/964974787.db2.gz DFARRRIHYZZOOY-CHWSQXEVSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]C[C@H](C)O)CCOCC1)N(C)C ZINC001375986255 965038778 /nfs/dbraw/zinc/03/87/78/965038778.db2.gz YRVBYHACYCTECY-UONOGXRCSA-N 1 3 315.458 0.208 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369516988 965126720 /nfs/dbraw/zinc/12/67/20/965126720.db2.gz UOQNUGGKGQWHNG-IRXDYDNUSA-N 1 3 319.449 0.889 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369516988 965126726 /nfs/dbraw/zinc/12/67/26/965126726.db2.gz UOQNUGGKGQWHNG-IRXDYDNUSA-N 1 3 319.449 0.889 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)CC1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001374207707 965133726 /nfs/dbraw/zinc/13/37/26/965133726.db2.gz SNTTWJLZXMEACU-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001369527137 965140091 /nfs/dbraw/zinc/14/00/91/965140091.db2.gz NMDPYNGMBBWJEF-GJZGRUSLSA-N 1 3 301.475 0.980 20 0 DCADHO CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001369527137 965140094 /nfs/dbraw/zinc/14/00/94/965140094.db2.gz NMDPYNGMBBWJEF-GJZGRUSLSA-N 1 3 301.475 0.980 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001374235940 965168480 /nfs/dbraw/zinc/16/84/80/965168480.db2.gz VTIHQWHESKUOMO-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001374244433 965177271 /nfs/dbraw/zinc/17/72/71/965177271.db2.gz MRMHVPJHAWNSDU-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001374244433 965177277 /nfs/dbraw/zinc/17/72/77/965177277.db2.gz MRMHVPJHAWNSDU-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001374327971 965288177 /nfs/dbraw/zinc/28/81/77/965288177.db2.gz SIRDPJLZBCGGMR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001374390150 965332784 /nfs/dbraw/zinc/33/27/84/965332784.db2.gz WKWVEYVMQHPJNV-GXTWGEPZSA-N 1 3 321.425 0.303 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H](C)C1 ZINC001374388851 965334219 /nfs/dbraw/zinc/33/42/19/965334219.db2.gz WVJIDGLCQSHKLV-GJZGRUSLSA-N 1 3 322.457 0.445 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001376260867 965448848 /nfs/dbraw/zinc/44/88/48/965448848.db2.gz YATILYWDGAXYFK-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cncn1C)C1CC1)N(C)C ZINC001376261630 965450659 /nfs/dbraw/zinc/45/06/59/965450659.db2.gz MRMAOVSRRJTTPE-HUUCEWRRSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cncn1C)C1CC1)N(C)C ZINC001376261634 965451860 /nfs/dbraw/zinc/45/18/60/965451860.db2.gz MRMAOVSRRJTTPE-LSDHHAIUSA-N 1 3 307.442 0.745 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001374554524 965526121 /nfs/dbraw/zinc/52/61/21/965526121.db2.gz HKKPUNWVICFJTN-HNNXBMFYSA-N 1 3 320.437 0.227 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001374554524 965526130 /nfs/dbraw/zinc/52/61/30/965526130.db2.gz HKKPUNWVICFJTN-HNNXBMFYSA-N 1 3 320.437 0.227 20 0 DCADHO Cc1nnc(CN[C@H](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001376332045 965530682 /nfs/dbraw/zinc/53/06/82/965530682.db2.gz RBQMXTZSSLODEM-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nnc(C)[nH]1 ZINC001374568497 965546254 /nfs/dbraw/zinc/54/62/54/965546254.db2.gz DMSRQPIIDCEWJX-ZIAGYGMSSA-N 1 3 322.457 0.829 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nnc(C)[nH]1 ZINC001374568497 965546261 /nfs/dbraw/zinc/54/62/61/965546261.db2.gz DMSRQPIIDCEWJX-ZIAGYGMSSA-N 1 3 322.457 0.829 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001374572404 965551333 /nfs/dbraw/zinc/55/13/33/965551333.db2.gz LXCCMLGCDKOMHE-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001376352355 965556029 /nfs/dbraw/zinc/55/60/29/965556029.db2.gz MFUQRFMUNIQNNA-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC3CC3)C2)CCC1 ZINC001376364695 965572753 /nfs/dbraw/zinc/57/27/53/965572753.db2.gz GRUKXUUZOBCGIE-HDJSIYSDSA-N 1 3 322.453 0.234 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001376482104 965719683 /nfs/dbraw/zinc/71/96/83/965719683.db2.gz ZWSJZCIHZDJWBP-LJISPDSOSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001374757819 965875162 /nfs/dbraw/zinc/87/51/62/965875162.db2.gz XITAGXJLOQKRQZ-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001374757819 965875166 /nfs/dbraw/zinc/87/51/66/965875166.db2.gz XITAGXJLOQKRQZ-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001374765370 965888792 /nfs/dbraw/zinc/88/87/92/965888792.db2.gz LEJDJKXIKIYKOH-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001374765370 965888803 /nfs/dbraw/zinc/88/88/03/965888803.db2.gz LEJDJKXIKIYKOH-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CC[C@@H](C)O3)C[C@H]21 ZINC001376662314 965951135 /nfs/dbraw/zinc/95/11/35/965951135.db2.gz WTYZUXQLTVHFCM-NPCUJANDSA-N 1 3 309.454 0.941 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CC[C@@H](C)O3)C[C@H]21 ZINC001376662314 965951148 /nfs/dbraw/zinc/95/11/48/965951148.db2.gz WTYZUXQLTVHFCM-NPCUJANDSA-N 1 3 309.454 0.941 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@@H](C)O3)C[C@H]21 ZINC001376662306 965952910 /nfs/dbraw/zinc/95/29/10/965952910.db2.gz WTYZUXQLTVHFCM-NMNMXBMNSA-N 1 3 309.454 0.941 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC[C@@H](C)O3)C[C@H]21 ZINC001376662306 965952920 /nfs/dbraw/zinc/95/29/20/965952920.db2.gz WTYZUXQLTVHFCM-NMNMXBMNSA-N 1 3 309.454 0.941 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001370409897 966094412 /nfs/dbraw/zinc/09/44/12/966094412.db2.gz ZLROTJQREKQRMY-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001374939809 966162308 /nfs/dbraw/zinc/16/23/08/966162308.db2.gz IOIBPNIGDZYRGU-ZNMIVQPWSA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001370547165 966232278 /nfs/dbraw/zinc/23/22/78/966232278.db2.gz KVCNMBRULGQUCW-RBSFLKMASA-N 1 3 307.442 0.706 20 0 DCADHO C[C@H](NCC(=O)NC(C)(C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381413359 966395333 /nfs/dbraw/zinc/39/53/33/966395333.db2.gz CBNUIQRHEBDUCC-RYUDHWBXSA-N 1 3 300.447 0.336 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001381435535 966415273 /nfs/dbraw/zinc/41/52/73/966415273.db2.gz HTJKQSFDWCXBLK-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO CN(CC(C)(C)CNCc1nccn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381482409 966450488 /nfs/dbraw/zinc/45/04/88/966450488.db2.gz AXVLVVGWQHWGKM-CQSZACIVSA-N 1 3 321.469 0.946 20 0 DCADHO CN(CC(C)(C)CNCc1nccn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381482409 966450493 /nfs/dbraw/zinc/45/04/93/966450493.db2.gz AXVLVVGWQHWGKM-CQSZACIVSA-N 1 3 321.469 0.946 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001447935123 1013657113 /nfs/dbraw/zinc/65/71/13/1013657113.db2.gz WKGKKSRMENFNBU-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447935739 1013658357 /nfs/dbraw/zinc/65/83/57/1013658357.db2.gz SSHZSVPWAYYRAZ-CHWSQXEVSA-N 1 3 319.453 0.807 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCNC1=O ZINC001371179607 966786228 /nfs/dbraw/zinc/78/62/28/966786228.db2.gz PMPLCFYJDBMEGA-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001371179607 966786231 /nfs/dbraw/zinc/78/62/31/966786231.db2.gz PMPLCFYJDBMEGA-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001371199787 966810034 /nfs/dbraw/zinc/81/00/34/966810034.db2.gz IYFDLJHVLQKRII-RYUDHWBXSA-N 1 3 310.442 0.232 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001381988454 966846937 /nfs/dbraw/zinc/84/69/37/966846937.db2.gz IWVOKKGEAJVHCT-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001381988454 966846942 /nfs/dbraw/zinc/84/69/42/966846942.db2.gz IWVOKKGEAJVHCT-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001382088306 966928761 /nfs/dbraw/zinc/92/87/61/966928761.db2.gz GCNCPIJERXKYNU-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001382088305 966930078 /nfs/dbraw/zinc/93/00/78/966930078.db2.gz GCNCPIJERXKYNU-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001382151728 966986187 /nfs/dbraw/zinc/98/61/87/966986187.db2.gz KLTUYNBGFXZQIL-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001382151728 966986200 /nfs/dbraw/zinc/98/62/00/966986200.db2.gz KLTUYNBGFXZQIL-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO CCn1nncc1CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001382536367 967475503 /nfs/dbraw/zinc/47/55/03/967475503.db2.gz QUZJIDJXFWGJQJ-AWEZNQCLSA-N 1 3 324.473 0.870 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCc2cnn(C)c2)CC[N@@H+]1C ZINC001371972281 967505718 /nfs/dbraw/zinc/50/57/18/967505718.db2.gz ZHELAXAASKLOIC-JKSUJKDBSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCc2cnn(C)c2)CC[N@H+]1C ZINC001371972281 967505722 /nfs/dbraw/zinc/50/57/22/967505722.db2.gz ZHELAXAASKLOIC-JKSUJKDBSA-N 1 3 321.469 0.741 20 0 DCADHO CN(C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001382616105 967547348 /nfs/dbraw/zinc/54/73/48/967547348.db2.gz WVRYRBSMLNHINT-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001372033501 967585782 /nfs/dbraw/zinc/58/57/82/967585782.db2.gz JHWDNVNUKKXSQE-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001372033501 967585790 /nfs/dbraw/zinc/58/57/90/967585790.db2.gz JHWDNVNUKKXSQE-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001372033921 967585941 /nfs/dbraw/zinc/58/59/41/967585941.db2.gz MNDSYCSMHOXRSK-CQSZACIVSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001372472222 968013866 /nfs/dbraw/zinc/01/38/66/968013866.db2.gz FJVBAHFGFWDZJC-OKILXGFUSA-N 1 3 319.409 0.106 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001372646554 968212114 /nfs/dbraw/zinc/21/21/14/968212114.db2.gz GYKKOTYCKDLOEI-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001448168730 1013797746 /nfs/dbraw/zinc/79/77/46/1013797746.db2.gz GKNHRQMUDXIXFH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCCN2C)C1=O ZINC001372919126 968530253 /nfs/dbraw/zinc/53/02/53/968530253.db2.gz DROYYGWVWCKDPH-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001373000951 968616144 /nfs/dbraw/zinc/61/61/44/968616144.db2.gz WQUQTOUZCRHMFL-WDEREUQCSA-N 1 3 307.398 0.043 20 0 DCADHO Cn1cncc1C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001373155880 968766820 /nfs/dbraw/zinc/76/68/20/968766820.db2.gz KWYNHOGTRSBEQE-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001373155880 968766828 /nfs/dbraw/zinc/76/68/28/968766828.db2.gz KWYNHOGTRSBEQE-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(CC(=O)NC)C2)CC[N@@H+]1C ZINC001373190880 968798665 /nfs/dbraw/zinc/79/86/65/968798665.db2.gz KJYVTVJVJZXQKF-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CCN(CC(=O)NC)C2)CC[N@H+]1C ZINC001373190880 968798667 /nfs/dbraw/zinc/79/86/67/968798667.db2.gz KJYVTVJVJZXQKF-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001448526075 1013941932 /nfs/dbraw/zinc/94/19/32/1013941932.db2.gz WAELNFKPZXWHKY-RBSFLKMASA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)NC1CC1 ZINC001448724032 1014012711 /nfs/dbraw/zinc/01/27/11/1014012711.db2.gz KWTICWHNFAWPDV-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)NC1CC1 ZINC001448724032 1014012718 /nfs/dbraw/zinc/01/27/18/1014012718.db2.gz KWTICWHNFAWPDV-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)C[C@H]1C ZINC001449021221 1014139447 /nfs/dbraw/zinc/13/94/47/1014139447.db2.gz QSSBWRJSMBUJLW-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C[C@H]1C ZINC001449032245 1014145806 /nfs/dbraw/zinc/14/58/06/1014145806.db2.gz ZRCWHNGGVKOAFY-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C[C@H]1C ZINC001449032252 1014146461 /nfs/dbraw/zinc/14/64/61/1014146461.db2.gz ZRCWHNGGVKOAFY-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001449040572 1014153236 /nfs/dbraw/zinc/15/32/36/1014153236.db2.gz YUGMFDHFFOQQCD-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)N(C)C ZINC001449094158 1014184406 /nfs/dbraw/zinc/18/44/06/1014184406.db2.gz MMICMTWMQSQZCW-OLZOCXBDSA-N 1 3 312.458 0.241 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C(C)(C)C)C1CCC1 ZINC001449292134 1014385932 /nfs/dbraw/zinc/38/59/32/1014385932.db2.gz JWWJZLKDOVVPMT-KBPBESRZSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001522808886 1014390061 /nfs/dbraw/zinc/39/00/61/1014390061.db2.gz DWJBZNZFFLLDJK-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001522808886 1014390072 /nfs/dbraw/zinc/39/00/72/1014390072.db2.gz DWJBZNZFFLLDJK-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001449324619 1014411448 /nfs/dbraw/zinc/41/14/48/1014411448.db2.gz MRDXWFDEFFHVOM-DZGCQCFKSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001449324619 1014411454 /nfs/dbraw/zinc/41/14/54/1014411454.db2.gz MRDXWFDEFFHVOM-DZGCQCFKSA-N 1 3 321.469 0.992 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C3CC[NH2+]CC3)C2)nn1 ZINC001550096613 1014566895 /nfs/dbraw/zinc/56/68/95/1014566895.db2.gz NVFCGAQXLFTUGK-ILXRZTDVSA-N 1 3 318.425 0.146 20 0 DCADHO C[C@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC[NH2+]C1 ZINC001550194847 1014620353 /nfs/dbraw/zinc/62/03/53/1014620353.db2.gz FDWFEUSLFDHGER-INIZCTEOSA-N 1 3 322.453 0.318 20 0 DCADHO CC(C)([NH3+])CCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550196941 1014623895 /nfs/dbraw/zinc/62/38/95/1014623895.db2.gz JHFUJMIJRKAPPH-UHFFFAOYSA-N 1 3 324.469 0.836 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202609 1014625977 /nfs/dbraw/zinc/62/59/77/1014625977.db2.gz OWEPESCAMRZQTO-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCCN(CCCO)C1 ZINC001550289179 1014654062 /nfs/dbraw/zinc/65/40/62/1014654062.db2.gz RPTNJXOLGGOIMA-UYTSQGDYSA-N 1 3 324.469 0.663 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)CC12CC2 ZINC001550290469 1014655168 /nfs/dbraw/zinc/65/51/68/1014655168.db2.gz KCRPCRWYPNFIFG-HUUCEWRRSA-N 1 3 300.406 0.834 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)C[C@H]2C1 ZINC001550543891 1014752513 /nfs/dbraw/zinc/75/25/13/1014752513.db2.gz ZWJIOJQBIHEEKA-CKEIUWERSA-N 1 3 303.406 0.243 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)C[C@H]2C1 ZINC001550543891 1014752525 /nfs/dbraw/zinc/75/25/25/1014752525.db2.gz ZWJIOJQBIHEEKA-CKEIUWERSA-N 1 3 303.406 0.243 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001550725051 1014816237 /nfs/dbraw/zinc/81/62/37/1014816237.db2.gz YSYXUGMCARXMOO-IPYPFGDCSA-N 1 3 303.362 0.627 20 0 DCADHO CN1[C@H]2CN(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)C[C@H]2C[C@H]1CO ZINC001550748363 1014835769 /nfs/dbraw/zinc/83/57/69/1014835769.db2.gz RQBBRTVFAKCGJW-QPSCCSFWSA-N 1 3 324.469 0.471 20 0 DCADHO [NH3+][C@@H]1CC12CC(NC(=O)NC[C@@H]1Cc3ccccc3CN1)C2 ZINC001550754325 1014840644 /nfs/dbraw/zinc/84/06/44/1014840644.db2.gz HMSJUACRCZZYFZ-UJEKJILKSA-N 1 3 300.406 0.880 20 0 DCADHO N[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[C@H]1F ZINC001550755924 1014841869 /nfs/dbraw/zinc/84/18/69/1014841869.db2.gz NIWWKMZLVXBXNC-JHJVBQTASA-N 1 3 314.405 0.226 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550761795 1014848944 /nfs/dbraw/zinc/84/89/44/1014848944.db2.gz GJBOUZVCQAGMDQ-KCXAZCMYSA-N 1 3 302.422 0.856 20 0 DCADHO Nc1nc(C2CC2)nc(N2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001551395641 1015037879 /nfs/dbraw/zinc/03/78/79/1015037879.db2.gz YPKHZNIXVJMZRL-YPMHNXCESA-N 1 3 317.441 0.581 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001525155533 1015104328 /nfs/dbraw/zinc/10/43/28/1015104328.db2.gz KIQDXGXCWZXHJL-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CC[C@@H]1F ZINC001551543394 1015132978 /nfs/dbraw/zinc/13/29/78/1015132978.db2.gz TTWDGEDTMWRDRY-QCMRWSPLSA-N 1 3 324.322 0.609 20 0 DCADHO CN(C[C@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001384420812 985566589 /nfs/dbraw/zinc/56/65/89/985566589.db2.gz CGTADMZYGKVGMA-KGLIPLIRSA-N 1 3 310.442 0.092 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@@H]1CCCCN1CCO)CC2 ZINC001551569581 1015141190 /nfs/dbraw/zinc/14/11/90/1015141190.db2.gz LURVTKNYJQHVKY-KRIMKBQASA-N 1 3 324.469 0.792 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001384532924 985645280 /nfs/dbraw/zinc/64/52/80/985645280.db2.gz HCKAYTSLLSFJLR-APIJFGDWSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001384532924 985645286 /nfs/dbraw/zinc/64/52/86/985645286.db2.gz HCKAYTSLLSFJLR-APIJFGDWSA-N 1 3 324.469 0.289 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001385465142 986365470 /nfs/dbraw/zinc/36/54/70/986365470.db2.gz JWHHANBVLKXSPC-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001385706669 986535642 /nfs/dbraw/zinc/53/56/42/986535642.db2.gz VXKLPGKOQBPYFL-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001386016486 986756869 /nfs/dbraw/zinc/75/68/69/986756869.db2.gz QLSMXXVWVNFIHS-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001386016486 986756876 /nfs/dbraw/zinc/75/68/76/986756876.db2.gz QLSMXXVWVNFIHS-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCNC(=O)CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001387805484 988167425 /nfs/dbraw/zinc/16/74/25/988167425.db2.gz ZUFHISOBWFUQFA-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001387906085 988268924 /nfs/dbraw/zinc/26/89/24/988268924.db2.gz BEUYVWQLUTXHBA-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001387906085 988268940 /nfs/dbraw/zinc/26/89/40/988268940.db2.gz BEUYVWQLUTXHBA-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001387972765 988341295 /nfs/dbraw/zinc/34/12/95/988341295.db2.gz KMUDBAMTGAMSKW-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001388722072 988539739 /nfs/dbraw/zinc/53/97/39/988539739.db2.gz RTWPRQJQBHPIAR-JOCQHMNTSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001552432782 1015429070 /nfs/dbraw/zinc/42/90/70/1015429070.db2.gz NDFYTUDVILZEDG-ZDUSSCGKSA-N 1 3 306.414 0.417 20 0 DCADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[C@@H](N2CCCC2)C1 ZINC001552434084 1015432095 /nfs/dbraw/zinc/43/20/95/1015432095.db2.gz ABXTYZCQQZBBSV-CQSZACIVSA-N 1 3 318.425 0.513 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001389422836 989228570 /nfs/dbraw/zinc/22/85/70/989228570.db2.gz BIBHAFUUFQLRHY-BPLDGKMQSA-N 1 3 324.469 0.240 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001389422836 989228576 /nfs/dbraw/zinc/22/85/76/989228576.db2.gz BIBHAFUUFQLRHY-BPLDGKMQSA-N 1 3 324.469 0.240 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1C(=O)CN1CCCC1)[NH+](C)C ZINC001389744389 989536017 /nfs/dbraw/zinc/53/60/17/989536017.db2.gz SFEDGXKTHZTRPI-GDBMZVCRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)N(C)C ZINC001389792482 989582836 /nfs/dbraw/zinc/58/28/36/989582836.db2.gz VVPDECNQOBDDTN-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]1C1CCN(Cc2cnn3c2CNCC3)CC1 ZINC001552687553 1015490767 /nfs/dbraw/zinc/49/07/67/1015490767.db2.gz RSQZIYPZALJJGN-GDBMZVCRSA-N 1 3 305.426 0.315 20 0 DCADHO [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CCN3CCC[C@@H]3C2)nn1 ZINC001552695523 1015495433 /nfs/dbraw/zinc/49/54/33/1015495433.db2.gz DWJLPYRPZLPYLZ-UMVBOHGHSA-N 1 3 318.425 0.641 20 0 DCADHO C[C@@H](NC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1nncn1C ZINC001390091277 989812023 /nfs/dbraw/zinc/81/20/23/989812023.db2.gz HNFITRQJEZTPND-ZIAGYGMSSA-N 1 3 322.457 0.656 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001390147722 989867808 /nfs/dbraw/zinc/86/78/08/989867808.db2.gz RKYNMXLAHPEQBF-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390149958 989870057 /nfs/dbraw/zinc/87/00/57/989870057.db2.gz JBTBIADDGKKKGP-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001390164413 989881040 /nfs/dbraw/zinc/88/10/40/989881040.db2.gz UBBXSTDSOLYNKU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001390261251 989943588 /nfs/dbraw/zinc/94/35/88/989943588.db2.gz COHPDGCWLWHFTA-PIMMBPRGSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001390536518 990182777 /nfs/dbraw/zinc/18/27/77/990182777.db2.gz RQELFVLGJMEOFQ-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001390570310 990206992 /nfs/dbraw/zinc/20/69/92/990206992.db2.gz RKBKQNVBCSMTRW-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390570310 990207000 /nfs/dbraw/zinc/20/70/00/990207000.db2.gz RKBKQNVBCSMTRW-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nnc(CN[C@@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001390616447 990247413 /nfs/dbraw/zinc/24/74/13/990247413.db2.gz QOPPZJMAQLZPRU-KGLIPLIRSA-N 1 3 322.457 0.972 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001390667660 990289833 /nfs/dbraw/zinc/28/98/33/990289833.db2.gz WYCDKGUWXICIJX-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO COc1cncc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001390717003 990323464 /nfs/dbraw/zinc/32/34/64/990323464.db2.gz CQZQTDKIFAYRHT-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001390717003 990323471 /nfs/dbraw/zinc/32/34/71/990323471.db2.gz CQZQTDKIFAYRHT-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO CCn1cc(CC[N@H+](C)CCNC(=O)[C@H]2CCCN2C)cn1 ZINC001390742620 990343590 /nfs/dbraw/zinc/34/35/90/990343590.db2.gz PPGXVKVPIVWJTJ-OAHLLOKOSA-N 1 3 307.442 0.588 20 0 DCADHO CCn1cc(CC[N@@H+](C)CCNC(=O)[C@H]2CCCN2C)cn1 ZINC001390742620 990343592 /nfs/dbraw/zinc/34/35/92/990343592.db2.gz PPGXVKVPIVWJTJ-OAHLLOKOSA-N 1 3 307.442 0.588 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001391121725 990603429 /nfs/dbraw/zinc/60/34/29/990603429.db2.gz YIGFJPYZVPZIPI-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001391121725 990603431 /nfs/dbraw/zinc/60/34/31/990603431.db2.gz YIGFJPYZVPZIPI-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCCN(C)C1=O ZINC001391355863 990776289 /nfs/dbraw/zinc/77/62/89/990776289.db2.gz PIMMFGOPMXTWKK-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCN(CC)C1=O ZINC001391734927 991145411 /nfs/dbraw/zinc/14/54/11/991145411.db2.gz FGPYOXINWKBAKA-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001391750917 991158174 /nfs/dbraw/zinc/15/81/74/991158174.db2.gz GMYUSOPKLSTVOP-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC(CC[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001391812719 991196621 /nfs/dbraw/zinc/19/66/21/991196621.db2.gz CDYSWMLDVULTLA-GXTWGEPZSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C1CC1 ZINC001391871141 991242836 /nfs/dbraw/zinc/24/28/36/991242836.db2.gz LVKCSNPHWCJOOW-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C1CC1 ZINC001391871141 991242846 /nfs/dbraw/zinc/24/28/46/991242846.db2.gz LVKCSNPHWCJOOW-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CCCC1)N(C)C ZINC001392025107 991405953 /nfs/dbraw/zinc/40/59/53/991405953.db2.gz WAKXENGLIJMRJY-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001392075786 991468279 /nfs/dbraw/zinc/46/82/79/991468279.db2.gz MSSJDXMKXYZBBP-ZFWWWQNUSA-N 1 3 314.474 0.534 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001392137874 991535587 /nfs/dbraw/zinc/53/55/87/991535587.db2.gz KVBNSMDYNHQRAM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1CC ZINC001392138621 991536073 /nfs/dbraw/zinc/53/60/73/991536073.db2.gz OOJCRXGPOJAOTP-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001392140438 991540278 /nfs/dbraw/zinc/54/02/78/991540278.db2.gz WDCBTBSTLKZIHG-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)CCc2ccnn2C)C1 ZINC001392313166 991740334 /nfs/dbraw/zinc/74/03/34/991740334.db2.gz MAJRUVIKIFCAFE-HNNXBMFYSA-N 1 3 321.469 0.695 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CCc2ccnn2C)C1 ZINC001392313166 991740346 /nfs/dbraw/zinc/74/03/46/991740346.db2.gz MAJRUVIKIFCAFE-HNNXBMFYSA-N 1 3 321.469 0.695 20 0 DCADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1)CC(C)(C)C ZINC001392348160 991786882 /nfs/dbraw/zinc/78/68/82/991786882.db2.gz OUSQGTGXAWCXBC-LSDHHAIUSA-N 1 3 311.470 0.879 20 0 DCADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1)CC(C)(C)C ZINC001392348160 991786892 /nfs/dbraw/zinc/78/68/92/991786892.db2.gz OUSQGTGXAWCXBC-LSDHHAIUSA-N 1 3 311.470 0.879 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2ccns2)C1 ZINC001392424438 991913032 /nfs/dbraw/zinc/91/30/32/991913032.db2.gz NZIHGDJGLMDHOQ-RYUDHWBXSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2ccns2)C1 ZINC001392424438 991913042 /nfs/dbraw/zinc/91/30/42/991913042.db2.gz NZIHGDJGLMDHOQ-RYUDHWBXSA-N 1 3 312.439 0.052 20 0 DCADHO C[C@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001392450848 991944305 /nfs/dbraw/zinc/94/43/05/991944305.db2.gz YDYNIJNRAHXCGI-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001392453580 991949009 /nfs/dbraw/zinc/94/90/09/991949009.db2.gz PQNZKGDNAOWCRA-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNCC(=O)N2CCC2)CC1 ZINC001392518353 992035167 /nfs/dbraw/zinc/03/51/67/992035167.db2.gz GYDNEFDSBSOFJN-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001392586426 992127743 /nfs/dbraw/zinc/12/77/43/992127743.db2.gz CJIMMQUAJQIBGT-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001392586426 992127747 /nfs/dbraw/zinc/12/77/47/992127747.db2.gz CJIMMQUAJQIBGT-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392592547 992134484 /nfs/dbraw/zinc/13/44/84/992134484.db2.gz LCXWXZDCUYKTEZ-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001392595491 992139660 /nfs/dbraw/zinc/13/96/60/992139660.db2.gz TUKQDOVIWWPEHI-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001392611089 992158597 /nfs/dbraw/zinc/15/85/97/992158597.db2.gz BQNCAVTZCFJKHE-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392647447 992200705 /nfs/dbraw/zinc/20/07/05/992200705.db2.gz RHAVJMLSXFSBLG-RRFJBIMHSA-N 1 3 307.442 0.660 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392647447 992200711 /nfs/dbraw/zinc/20/07/11/992200711.db2.gz RHAVJMLSXFSBLG-RRFJBIMHSA-N 1 3 307.442 0.660 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001392770701 992372448 /nfs/dbraw/zinc/37/24/48/992372448.db2.gz DOYFAIWNNGGJNN-FZMZJTMJSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001393031390 992637312 /nfs/dbraw/zinc/63/73/12/992637312.db2.gz CYQZSTZELKGIFF-QWHCGFSZSA-N 1 3 321.425 0.446 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001393033524 992639094 /nfs/dbraw/zinc/63/90/94/992639094.db2.gz GWDXGMCSQLUUBW-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C[C@@H]1C ZINC001393035073 992640471 /nfs/dbraw/zinc/64/04/71/992640471.db2.gz XNZBJMXVCYHPHC-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001393053013 992653120 /nfs/dbraw/zinc/65/31/20/992653120.db2.gz XHMRGLHWZHEBJA-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001393059852 992657502 /nfs/dbraw/zinc/65/75/02/992657502.db2.gz BUGBVEOVZGLEIQ-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001393903159 993333036 /nfs/dbraw/zinc/33/30/36/993333036.db2.gz PESJEGHPYDRMMQ-XUJLQICISA-N 1 3 321.469 0.991 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001393905392 993334465 /nfs/dbraw/zinc/33/44/65/993334465.db2.gz DDMZPOIKFZJRKO-IYXRBSQSSA-N 1 3 312.458 0.289 20 0 DCADHO CCCC[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001394205897 993539601 /nfs/dbraw/zinc/53/96/01/993539601.db2.gz PPGFKWDXNQARAA-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H]([NH2+]CCF)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001394333852 993629342 /nfs/dbraw/zinc/62/93/42/993629342.db2.gz PWLCHLNDMRUONZ-CHWSQXEVSA-N 1 3 301.406 0.646 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)C[C@@H](O)COC)CC1)N(C)C ZINC001394398645 993680026 /nfs/dbraw/zinc/68/00/26/993680026.db2.gz PHQYGRGTGZAREV-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)C[C@@H](O)COC)CC1)N(C)C ZINC001394398645 993680031 /nfs/dbraw/zinc/68/00/31/993680031.db2.gz PHQYGRGTGZAREV-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394446248 993713368 /nfs/dbraw/zinc/71/33/68/993713368.db2.gz DBKIZDMUKBXLDX-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394446248 993713377 /nfs/dbraw/zinc/71/33/77/993713377.db2.gz DBKIZDMUKBXLDX-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NCC1CCC1 ZINC001394467236 993736376 /nfs/dbraw/zinc/73/63/76/993736376.db2.gz ODVIRVRUENMKLD-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCCC1 ZINC001394524430 993797716 /nfs/dbraw/zinc/79/77/16/993797716.db2.gz WHGNYFPYRVYIED-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001394536360 993808285 /nfs/dbraw/zinc/80/82/85/993808285.db2.gz IATRKKZGXSXQRT-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001394536360 993808291 /nfs/dbraw/zinc/80/82/91/993808291.db2.gz IATRKKZGXSXQRT-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCC2CCCC2)C1 ZINC001394634891 993941990 /nfs/dbraw/zinc/94/19/90/993941990.db2.gz LYQYSVIASHJIML-GDBMZVCRSA-N 1 3 311.470 0.975 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C[C@H]1C ZINC001394672796 994003789 /nfs/dbraw/zinc/00/37/89/994003789.db2.gz SIZKBWYQWFEIOA-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399973243 994005640 /nfs/dbraw/zinc/00/56/40/994005640.db2.gz OCHHQQUGNSAMCR-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399973243 994005649 /nfs/dbraw/zinc/00/56/49/994005649.db2.gz OCHHQQUGNSAMCR-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001400056203 994110216 /nfs/dbraw/zinc/11/02/16/994110216.db2.gz PVEFEKLAIPDPHQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001400056203 994110221 /nfs/dbraw/zinc/11/02/21/994110221.db2.gz PVEFEKLAIPDPHQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001400083819 994143640 /nfs/dbraw/zinc/14/36/40/994143640.db2.gz GMYWATXJMFEIEZ-CHWSQXEVSA-N 1 3 324.469 0.561 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC001400288713 994384060 /nfs/dbraw/zinc/38/40/60/994384060.db2.gz GKILDPSIDHGBFH-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@H](C)C(N)=O ZINC001400853787 995008547 /nfs/dbraw/zinc/00/85/47/995008547.db2.gz KLFZYLCVMQTMGN-IUODEOHRSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(C)(C)C ZINC001400865190 995020526 /nfs/dbraw/zinc/02/05/26/995020526.db2.gz VMIPELKCUYKRIJ-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001396476113 995420869 /nfs/dbraw/zinc/42/08/69/995420869.db2.gz JOGZVGXCXJNSPQ-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001397092000 995792121 /nfs/dbraw/zinc/79/21/21/995792121.db2.gz LWPGQNOTZVDWOI-GASCZTMLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001397185418 995848257 /nfs/dbraw/zinc/84/82/57/995848257.db2.gz IAGGDVKCMIPAOX-YVSFHVDLSA-N 1 3 323.481 0.878 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001397185418 995848261 /nfs/dbraw/zinc/84/82/61/995848261.db2.gz IAGGDVKCMIPAOX-YVSFHVDLSA-N 1 3 323.481 0.878 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@H](NCC(=O)NC)C1 ZINC001397227747 995874708 /nfs/dbraw/zinc/87/47/08/995874708.db2.gz OQHUMUGDRFTLRG-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@H](NCC(=O)NC)C1 ZINC001397227747 995874714 /nfs/dbraw/zinc/87/47/14/995874714.db2.gz OQHUMUGDRFTLRG-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001397678535 996127985 /nfs/dbraw/zinc/12/79/85/996127985.db2.gz OEHAGPRRETVOPT-KKUMJFAQSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001398408250 996504339 /nfs/dbraw/zinc/50/43/39/996504339.db2.gz LTZIQRWYIARJOD-YUELXQCFSA-N 1 3 324.469 0.337 20 0 DCADHO CCCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001398408250 996504344 /nfs/dbraw/zinc/50/43/44/996504344.db2.gz LTZIQRWYIARJOD-YUELXQCFSA-N 1 3 324.469 0.337 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001398534393 996558164 /nfs/dbraw/zinc/55/81/64/996558164.db2.gz RTBZNHJZBZTWRH-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001502738249 1016047408 /nfs/dbraw/zinc/04/74/08/1016047408.db2.gz LBXYMHAIRBBUEU-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001398632422 996614728 /nfs/dbraw/zinc/61/47/28/996614728.db2.gz ZPKJEYNITBPHPD-DEQVHRJGSA-N 1 3 310.442 0.231 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001398789109 996688412 /nfs/dbraw/zinc/68/84/12/996688412.db2.gz FXEHQIHGRISQIE-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001398789109 996688413 /nfs/dbraw/zinc/68/84/13/996688413.db2.gz FXEHQIHGRISQIE-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001398915937 996747360 /nfs/dbraw/zinc/74/73/60/996747360.db2.gz GXNGQQQBIQTBQU-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC(C)(C)C ZINC001398921171 996749936 /nfs/dbraw/zinc/74/99/36/996749936.db2.gz MSXLNQXWYMRIGC-GXTWGEPZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1ccnn1C ZINC001399022748 996845006 /nfs/dbraw/zinc/84/50/06/996845006.db2.gz LEJGDWXMHUCDMH-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001399110943 996976647 /nfs/dbraw/zinc/97/66/47/996976647.db2.gz LLCFFBKTNDRYSW-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001399110943 996976656 /nfs/dbraw/zinc/97/66/56/996976656.db2.gz LLCFFBKTNDRYSW-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC(C)C ZINC001405249415 998008490 /nfs/dbraw/zinc/00/84/90/998008490.db2.gz ITLRDNPPFGHLNG-CABCVRRESA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001405263921 998028656 /nfs/dbraw/zinc/02/86/56/998028656.db2.gz WFCPFVMDOPMXNW-VHDGCEQUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001405263921 998028668 /nfs/dbraw/zinc/02/86/68/998028668.db2.gz WFCPFVMDOPMXNW-VHDGCEQUSA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001405480436 998263777 /nfs/dbraw/zinc/26/37/77/998263777.db2.gz JVYBBKMCRCGSNX-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507290281 1016219716 /nfs/dbraw/zinc/21/97/16/1016219716.db2.gz MLNGGRINJVAMDC-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)C(C)(C)C1 ZINC001507451262 1016336752 /nfs/dbraw/zinc/33/67/52/1016336752.db2.gz OAMSQWXMNVSEEJ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC)C(C)(C)C1 ZINC001507451262 1016336762 /nfs/dbraw/zinc/33/67/62/1016336762.db2.gz OAMSQWXMNVSEEJ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001505625631 1016366990 /nfs/dbraw/zinc/36/69/90/1016366990.db2.gz MFELKRBRXYLGRF-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401217434 1000281050 /nfs/dbraw/zinc/28/10/50/1000281050.db2.gz VPDOZUZETNAGRD-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401217434 1000281053 /nfs/dbraw/zinc/28/10/53/1000281053.db2.gz VPDOZUZETNAGRD-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401229903 1000291364 /nfs/dbraw/zinc/29/13/64/1000291364.db2.gz ABMUTVHVLZBALO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418617338 1000397073 /nfs/dbraw/zinc/39/70/73/1000397073.db2.gz PLXHIELHEWEUQH-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401392568 1000404907 /nfs/dbraw/zinc/40/49/07/1000404907.db2.gz WETMMDKDYXGOJQ-KKUMJFAQSA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401392568 1000404911 /nfs/dbraw/zinc/40/49/11/1000404911.db2.gz WETMMDKDYXGOJQ-KKUMJFAQSA-N 1 3 315.458 0.114 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1nncn1C ZINC001401507977 1000461035 /nfs/dbraw/zinc/46/10/35/1000461035.db2.gz YWQZGTCGNBAFRK-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1nncn1C ZINC001401507977 1000461038 /nfs/dbraw/zinc/46/10/38/1000461038.db2.gz YWQZGTCGNBAFRK-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)CC(C)(C)C ZINC001401547690 1000483460 /nfs/dbraw/zinc/48/34/60/1000483460.db2.gz BQJDSMPKHZEVQL-OAHLLOKOSA-N 1 3 322.453 0.626 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001418804531 1000533309 /nfs/dbraw/zinc/53/33/09/1000533309.db2.gz ANHMXVQGXPZFTN-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001401604580 1000540004 /nfs/dbraw/zinc/54/00/04/1000540004.db2.gz VRZNQQLEYBGPKU-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001401723585 1000660878 /nfs/dbraw/zinc/66/08/78/1000660878.db2.gz ZRIXEGAUEFBJJJ-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N(C)C ZINC001419191812 1000865641 /nfs/dbraw/zinc/86/56/41/1000865641.db2.gz DCNDZDQGPZJEAV-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N(C)C ZINC001419191812 1000865647 /nfs/dbraw/zinc/86/56/47/1000865647.db2.gz DCNDZDQGPZJEAV-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C(C)C ZINC001419293535 1000954242 /nfs/dbraw/zinc/95/42/42/1000954242.db2.gz XHVCJLBGMCSCMM-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C(C)C ZINC001419293535 1000954251 /nfs/dbraw/zinc/95/42/51/1000954251.db2.gz XHVCJLBGMCSCMM-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001419432595 1001045599 /nfs/dbraw/zinc/04/55/99/1001045599.db2.gz XVWHZBVZMWKBAN-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001419432595 1001045603 /nfs/dbraw/zinc/04/56/03/1001045603.db2.gz XVWHZBVZMWKBAN-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001419490560 1001092906 /nfs/dbraw/zinc/09/29/06/1001092906.db2.gz IWRXHFAJGDYJEC-SOUVJXGZSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1nnc([C@H](C)NC[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)[nH]1 ZINC001419515623 1001110594 /nfs/dbraw/zinc/11/05/94/1001110594.db2.gz IVWRKRRMHBVKNK-RYUDHWBXSA-N 1 3 322.457 0.858 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001419521907 1001113678 /nfs/dbraw/zinc/11/36/78/1001113678.db2.gz XOGOZTJGQHPTHW-MJBXVCDLSA-N 1 3 320.441 0.342 20 0 DCADHO Cn1cc(CNC2(CNC(=O)CC[NH+](C)C)CCOCC2)cn1 ZINC001402249978 1001138605 /nfs/dbraw/zinc/13/86/05/1001138605.db2.gz QKXWDDPVOWGRBR-UHFFFAOYSA-N 1 3 323.441 0.127 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001402310199 1001203051 /nfs/dbraw/zinc/20/30/51/1001203051.db2.gz IBQXQVXSMBGFTF-ZBFHGGJFSA-N 1 3 315.458 0.041 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCC[C@@H](C)O)C1 ZINC001402310199 1001203057 /nfs/dbraw/zinc/20/30/57/1001203057.db2.gz IBQXQVXSMBGFTF-ZBFHGGJFSA-N 1 3 315.458 0.041 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419673132 1001213841 /nfs/dbraw/zinc/21/38/41/1001213841.db2.gz LCQZTLWZSREBAL-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419673132 1001213846 /nfs/dbraw/zinc/21/38/46/1001213846.db2.gz LCQZTLWZSREBAL-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC[C@@H](C)F)C1 ZINC001402323269 1001216879 /nfs/dbraw/zinc/21/68/79/1001216879.db2.gz VAVGNXBKOPXADP-HIFRSBDPSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC[C@@H](C)F)C1 ZINC001402323269 1001216887 /nfs/dbraw/zinc/21/68/87/1001216887.db2.gz VAVGNXBKOPXADP-HIFRSBDPSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402414104 1001288979 /nfs/dbraw/zinc/28/89/79/1001288979.db2.gz ROMHPYFTLRUYNL-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCn2cncn2)C1 ZINC001402420952 1001292723 /nfs/dbraw/zinc/29/27/23/1001292723.db2.gz XIYOVMLMIYACRR-CABCVRRESA-N 1 3 322.457 0.445 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCN1CCCC1=O ZINC001419778491 1001301774 /nfs/dbraw/zinc/30/17/74/1001301774.db2.gz QHHMAZFHVHUMJX-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001402452511 1001322280 /nfs/dbraw/zinc/32/22/80/1001322280.db2.gz QNBDEHALEQKGHC-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001419839991 1001347176 /nfs/dbraw/zinc/34/71/76/1001347176.db2.gz QAHILLFGPMHWMG-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001402593994 1001429525 /nfs/dbraw/zinc/42/95/25/1001429525.db2.gz JAPGJNHQXOAHTM-LZWOXQAQSA-N 1 3 321.469 0.786 20 0 DCADHO CC[C@@H](F)CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001402605008 1001435683 /nfs/dbraw/zinc/43/56/83/1001435683.db2.gz OAVBZLIHPFFJKA-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](C[C@H](O)COC)CC1)N(C)C ZINC001402639117 1001455223 /nfs/dbraw/zinc/45/52/23/1001455223.db2.gz RGYRPZSOIHBZLL-KKUMJFAQSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COC)CC1)N(C)C ZINC001402639117 1001455224 /nfs/dbraw/zinc/45/52/24/1001455224.db2.gz RGYRPZSOIHBZLL-KKUMJFAQSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001402778226 1001498101 /nfs/dbraw/zinc/49/81/01/1001498101.db2.gz OXIPWYFCFTXKEW-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)COC)CC1)N(C)C ZINC001402807940 1001510698 /nfs/dbraw/zinc/51/06/98/1001510698.db2.gz PPXUIHUJUITFBV-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001402881367 1001553973 /nfs/dbraw/zinc/55/39/73/1001553973.db2.gz LDCYZRJNDMJLGM-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1ccnn1C ZINC001402915090 1001575707 /nfs/dbraw/zinc/57/57/07/1001575707.db2.gz JHSLUQLFVKYFDO-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCO)C2)C1 ZINC001402944271 1001595496 /nfs/dbraw/zinc/59/54/96/1001595496.db2.gz UKWBWBYISGJBML-HOTGVXAUSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CCO)C2)C1 ZINC001402944271 1001595498 /nfs/dbraw/zinc/59/54/98/1001595498.db2.gz UKWBWBYISGJBML-HOTGVXAUSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001403030095 1001640037 /nfs/dbraw/zinc/64/00/37/1001640037.db2.gz YGCCKWRLYUQXFY-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NCc1cccnc1 ZINC001403076739 1001663045 /nfs/dbraw/zinc/66/30/45/1001663045.db2.gz WRKMRTWLMXUPCQ-AWEZNQCLSA-N 1 3 320.437 0.787 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(=O)N(C)C ZINC001403087492 1001667606 /nfs/dbraw/zinc/66/76/06/1001667606.db2.gz QKGKUZYIJCCOLX-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001403099910 1001672908 /nfs/dbraw/zinc/67/29/08/1001672908.db2.gz JVBPRDUIIHULJL-CYBMUJFWSA-N 1 3 308.426 0.321 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001403238888 1001756202 /nfs/dbraw/zinc/75/62/02/1001756202.db2.gz DSCHJZPPLQKEDT-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001420026893 1001772302 /nfs/dbraw/zinc/77/23/02/1001772302.db2.gz KAKIAHIRJPQGAA-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001424667561 1001902183 /nfs/dbraw/zinc/90/21/83/1001902183.db2.gz COUSUBMJILDDCN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001424677868 1001910149 /nfs/dbraw/zinc/91/01/49/1001910149.db2.gz DWBGXDFBZBYUEC-XGUBFFRZSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001424677868 1001910153 /nfs/dbraw/zinc/91/01/53/1001910153.db2.gz DWBGXDFBZBYUEC-XGUBFFRZSA-N 1 3 324.469 0.561 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCCN2C)on1 ZINC001420140921 1001930669 /nfs/dbraw/zinc/93/06/69/1001930669.db2.gz CXPXLQNGVVJKQT-JSGCOSHPSA-N 1 3 310.398 0.034 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCCN2C)on1 ZINC001420140919 1001932379 /nfs/dbraw/zinc/93/23/79/1001932379.db2.gz CXPXLQNGVVJKQT-GXTWGEPZSA-N 1 3 310.398 0.034 20 0 DCADHO C[NH+](C)CC1(C(=O)NC2CC(CNCc3cnns3)C2)CC1 ZINC001424732084 1001960616 /nfs/dbraw/zinc/96/06/16/1001960616.db2.gz QKEDXRBVGPKVIE-UHFFFAOYSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001403439523 1001966433 /nfs/dbraw/zinc/96/64/33/1001966433.db2.gz LPOZCOQIZRPAPM-AVGNSLFASA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001424789813 1002027867 /nfs/dbraw/zinc/02/78/67/1002027867.db2.gz MXYNYCKMVPYTQB-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001505790226 1016559496 /nfs/dbraw/zinc/55/94/96/1016559496.db2.gz UANXBFPUISYOQX-IYXRBSQSSA-N 1 3 312.458 0.561 20 0 DCADHO CCCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403518890 1002065634 /nfs/dbraw/zinc/06/56/34/1002065634.db2.gz WFMCTCVKHQYHPC-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403518890 1002065655 /nfs/dbraw/zinc/06/56/55/1002065655.db2.gz WFMCTCVKHQYHPC-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NCC(=O)NCC1CC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001424859402 1002102657 /nfs/dbraw/zinc/10/26/57/1002102657.db2.gz RRQNCAVMPXEQCG-OLZOCXBDSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001403554917 1002133647 /nfs/dbraw/zinc/13/36/47/1002133647.db2.gz NBHNJFWCIMLHMB-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001420310008 1002203094 /nfs/dbraw/zinc/20/30/94/1002203094.db2.gz OEKRNWJXZHRYRQ-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403621449 1002223383 /nfs/dbraw/zinc/22/33/83/1002223383.db2.gz CQNQSMVKSRYIQB-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403621449 1002223388 /nfs/dbraw/zinc/22/33/88/1002223388.db2.gz CQNQSMVKSRYIQB-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016488 1016610354 /nfs/dbraw/zinc/61/03/54/1016610354.db2.gz VDXNMFCFVKATBC-GFCCVEGCSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001505850174 1016613371 /nfs/dbraw/zinc/61/33/71/1016613371.db2.gz MYTIRDFPJVQCDW-BETUJISGSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN(C)C1CCC1 ZINC001420433078 1002409505 /nfs/dbraw/zinc/40/95/05/1002409505.db2.gz BFVGXIYQIKYPMD-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001403740494 1002450920 /nfs/dbraw/zinc/45/09/20/1002450920.db2.gz KNWJPKPMSHJBHV-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)N2CCC2)C1 ZINC001420463087 1002455604 /nfs/dbraw/zinc/45/56/04/1002455604.db2.gz JDZCJEJJEDTSFC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCC(=O)N2CCC2)C1 ZINC001420463087 1002455615 /nfs/dbraw/zinc/45/56/15/1002455615.db2.gz JDZCJEJJEDTSFC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001420465586 1002458411 /nfs/dbraw/zinc/45/84/11/1002458411.db2.gz AYRXRSPGLXULFB-RYUDHWBXSA-N 1 3 300.447 0.193 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001420476606 1002475430 /nfs/dbraw/zinc/47/54/30/1002475430.db2.gz KULBKILMQHKGGX-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001425252636 1002481705 /nfs/dbraw/zinc/48/17/05/1002481705.db2.gz KPLFDHNSKZYXBM-ZDUSSCGKSA-N 1 3 313.442 0.180 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001420508682 1002520812 /nfs/dbraw/zinc/52/08/12/1002520812.db2.gz QJCVKESFJWIWFZ-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO COc1cc(CNC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)ccn1 ZINC001420510413 1002526158 /nfs/dbraw/zinc/52/61/58/1002526158.db2.gz ZVBISTGEODVREQ-ZDUSSCGKSA-N 1 3 318.421 0.780 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001403800658 1002540974 /nfs/dbraw/zinc/54/09/74/1002540974.db2.gz DZKDRQJUTRJMQV-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001420548935 1002598595 /nfs/dbraw/zinc/59/85/95/1002598595.db2.gz PHLXPCDULBICEB-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001420548935 1002598604 /nfs/dbraw/zinc/59/86/04/1002598604.db2.gz PHLXPCDULBICEB-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnnn3C)C2)CCC1 ZINC001425392058 1002634492 /nfs/dbraw/zinc/63/44/92/1002634492.db2.gz HMORALSZOHICJI-JOCQHMNTSA-N 1 3 320.441 0.284 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccnc1C)N(C)C ZINC001403878802 1002667411 /nfs/dbraw/zinc/66/74/11/1002667411.db2.gz IVKMDUOBHZYGPL-CVEARBPZSA-N 1 3 322.453 0.639 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)CCn1cccn1)[NH+](C)C ZINC001420596418 1002669206 /nfs/dbraw/zinc/66/92/06/1002669206.db2.gz IDHXGILJBXSKCJ-CABCVRRESA-N 1 3 309.458 0.906 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001425530170 1002770861 /nfs/dbraw/zinc/77/08/61/1002770861.db2.gz ZOIFEPGVRSHZGF-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001420726849 1002868022 /nfs/dbraw/zinc/86/80/22/1002868022.db2.gz KJPKDSLIPBYDHB-AWEZNQCLSA-N 1 3 322.453 0.140 20 0 DCADHO COc1ncc(CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C)c(C)n1 ZINC001425631177 1002910090 /nfs/dbraw/zinc/91/00/90/1002910090.db2.gz FFSKJSGWGCGJSR-LBPRGKRZSA-N 1 3 323.441 0.682 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cccn1 ZINC001425650087 1002926835 /nfs/dbraw/zinc/92/68/35/1002926835.db2.gz HKUUTNZMYZHICT-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001425667799 1002943227 /nfs/dbraw/zinc/94/32/27/1002943227.db2.gz XSZIWOSBYYSDLI-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001404066357 1002964367 /nfs/dbraw/zinc/96/43/67/1002964367.db2.gz BWIXUMVKSPAIDR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001404066357 1002964375 /nfs/dbraw/zinc/96/43/75/1002964375.db2.gz BWIXUMVKSPAIDR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CC(=O)NC ZINC001420807623 1002967327 /nfs/dbraw/zinc/96/73/27/1002967327.db2.gz UUXKUHVTXSVGHC-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001420862131 1003051681 /nfs/dbraw/zinc/05/16/81/1003051681.db2.gz QKFIDZUQHIGKJZ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001420862131 1003051690 /nfs/dbraw/zinc/05/16/90/1003051690.db2.gz QKFIDZUQHIGKJZ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001420897562 1003106194 /nfs/dbraw/zinc/10/61/94/1003106194.db2.gz UXXSBPXOXCWWJV-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001420897562 1003106197 /nfs/dbraw/zinc/10/61/97/1003106197.db2.gz UXXSBPXOXCWWJV-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001405823351 1003113159 /nfs/dbraw/zinc/11/31/59/1003113159.db2.gz GILYAWJSNDACTN-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1[C@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)CC[NH+](C)C ZINC001425878393 1003213444 /nfs/dbraw/zinc/21/34/44/1003213444.db2.gz GJKWTUHYSBGNJD-DGCLKSJQSA-N 1 3 320.441 0.713 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001425883517 1003219672 /nfs/dbraw/zinc/21/96/72/1003219672.db2.gz RHNLPORWQWEULC-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C[C@@H]1C ZINC001425902811 1003243333 /nfs/dbraw/zinc/24/33/33/1003243333.db2.gz CPSHVSKVEAPXIL-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001406004452 1003255430 /nfs/dbraw/zinc/25/54/30/1003255430.db2.gz SXICXFYMEXZQKV-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001425958234 1003285163 /nfs/dbraw/zinc/28/51/63/1003285163.db2.gz UFGUYTROWWENDH-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001425965885 1003291312 /nfs/dbraw/zinc/29/13/12/1003291312.db2.gz OIZSMFDMRQZHNT-CYBMUJFWSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001425970580 1003295478 /nfs/dbraw/zinc/29/54/78/1003295478.db2.gz JNAQGANLEAAPHQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN(C)CCc1cnn(C)c1)[NH+](C)C ZINC001406126981 1003399056 /nfs/dbraw/zinc/39/90/56/1003399056.db2.gz BDSBYKJQBQWCSB-MRXNPFEDSA-N 1 3 323.485 0.939 20 0 DCADHO C[C@]1(C[NH2+]CC(=O)NC2CC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001421251818 1003482068 /nfs/dbraw/zinc/48/20/68/1003482068.db2.gz GPXHALPNLFPXMF-MRXNPFEDSA-N 1 3 319.409 0.059 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1cc(F)cc(F)c1 ZINC001406259612 1003538894 /nfs/dbraw/zinc/53/88/94/1003538894.db2.gz PZHNDFFHOQOGNL-CQSZACIVSA-N 1 3 315.364 0.483 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1)C1CCC1 ZINC001421358058 1003583891 /nfs/dbraw/zinc/58/38/91/1003583891.db2.gz BTGYCMQEPSCIDK-HNNXBMFYSA-N 1 3 301.406 0.383 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1)C1CCC1 ZINC001421358058 1003583893 /nfs/dbraw/zinc/58/38/93/1003583893.db2.gz BTGYCMQEPSCIDK-HNNXBMFYSA-N 1 3 301.406 0.383 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001406301520 1003584586 /nfs/dbraw/zinc/58/45/86/1003584586.db2.gz LGTDVKFTLMBWPS-HNNXBMFYSA-N 1 3 308.426 0.297 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406391260 1003672596 /nfs/dbraw/zinc/67/25/96/1003672596.db2.gz KJYFQHCHSMVVPU-RFGFWPKPSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406391260 1003672599 /nfs/dbraw/zinc/67/25/99/1003672599.db2.gz KJYFQHCHSMVVPU-RFGFWPKPSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001406560378 1003843085 /nfs/dbraw/zinc/84/30/85/1003843085.db2.gz OUYZQECBLNNQMK-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001427065535 1004191970 /nfs/dbraw/zinc/19/19/70/1004191970.db2.gz FXLSZODIWKQPCG-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001407088752 1004367673 /nfs/dbraw/zinc/36/76/73/1004367673.db2.gz MKUHJMOJBYPAOV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001407088752 1004367678 /nfs/dbraw/zinc/36/76/78/1004367678.db2.gz MKUHJMOJBYPAOV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCC(=O)NC1(C)CCN(CCN2CCCC2=O)CC1 ZINC001407134164 1004410532 /nfs/dbraw/zinc/41/05/32/1004410532.db2.gz KUUQAPRIGBALIE-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001407201840 1004465568 /nfs/dbraw/zinc/46/55/68/1004465568.db2.gz WPPYKBHQHUDRIO-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407201840 1004465571 /nfs/dbraw/zinc/46/55/71/1004465571.db2.gz WPPYKBHQHUDRIO-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001429433420 1004594744 /nfs/dbraw/zinc/59/47/44/1004594744.db2.gz MIKFAVCBAXKVNW-KFWWJZLASA-N 1 3 322.453 0.282 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001407863442 1004907700 /nfs/dbraw/zinc/90/77/00/1004907700.db2.gz GMWDJMTUJKXWIX-UKRRQHHQSA-N 1 3 313.442 0.323 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001407863437 1004908247 /nfs/dbraw/zinc/90/82/47/1004908247.db2.gz GMWDJMTUJKXWIX-HIFRSBDPSA-N 1 3 313.442 0.323 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CCn2cncn2)CC1 ZINC001408087138 1005030177 /nfs/dbraw/zinc/03/01/77/1005030177.db2.gz KCBRMAMTNSFEHX-UHFFFAOYSA-N 1 3 322.457 0.589 20 0 DCADHO COC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001408139513 1005070629 /nfs/dbraw/zinc/07/06/29/1005070629.db2.gz CYHVOEKZYRUMPY-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001408292945 1005145581 /nfs/dbraw/zinc/14/55/81/1005145581.db2.gz JEWUPSYAKBGYCW-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N(C)C)N(C)C ZINC001408297995 1005147632 /nfs/dbraw/zinc/14/76/32/1005147632.db2.gz KQXQTDBPDOESPF-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001414657494 1005378218 /nfs/dbraw/zinc/37/82/18/1005378218.db2.gz WQWBYTXIGCLPST-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001417259637 1005812596 /nfs/dbraw/zinc/81/25/96/1005812596.db2.gz VTMLARNARPDJOT-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001417259637 1005812599 /nfs/dbraw/zinc/81/25/99/1005812599.db2.gz VTMLARNARPDJOT-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO COCc1nc2n(n1)C[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC001474046583 1017001483 /nfs/dbraw/zinc/00/14/83/1017001483.db2.gz HDOICTDRMDNQAX-MGPQQGTHSA-N 1 3 305.426 0.956 20 0 DCADHO COCc1nc2n(n1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC001474046583 1017001497 /nfs/dbraw/zinc/00/14/97/1017001497.db2.gz HDOICTDRMDNQAX-MGPQQGTHSA-N 1 3 305.426 0.956 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001417777443 1005888381 /nfs/dbraw/zinc/88/83/81/1005888381.db2.gz KYRQXUNUIGDZGZ-VNHYZAJKSA-N 1 3 322.457 0.623 20 0 DCADHO CC(C)N(C)CC(=O)NCCN1CC[NH+](CCC2CC2)CC1 ZINC001417930107 1005928989 /nfs/dbraw/zinc/92/89/89/1005928989.db2.gz SWODPYDKGJQLJF-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001417960848 1005940597 /nfs/dbraw/zinc/94/05/97/1005940597.db2.gz JTMVIXLGOXNEBH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001418017254 1005957759 /nfs/dbraw/zinc/95/77/59/1005957759.db2.gz AYWYMHDDNRWZLK-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001418017254 1005957762 /nfs/dbraw/zinc/95/77/62/1005957762.db2.gz AYWYMHDDNRWZLK-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC001434765104 1005961854 /nfs/dbraw/zinc/96/18/54/1005961854.db2.gz BLWJWUHYVPSXTN-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC001434765104 1005961858 /nfs/dbraw/zinc/96/18/58/1005961858.db2.gz BLWJWUHYVPSXTN-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H](C[NH2+]Cc1cncn1C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001438685347 1006029304 /nfs/dbraw/zinc/02/93/04/1006029304.db2.gz VELYMNRRLXUGGC-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001418102322 1006043744 /nfs/dbraw/zinc/04/37/44/1006043744.db2.gz GXXLSCAKEVRCBJ-BETUJISGSA-N 1 3 307.398 0.174 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCN(CC)C1=O ZINC001438705958 1006054315 /nfs/dbraw/zinc/05/43/15/1006054315.db2.gz MVVKKHHOAPYUFE-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001418113775 1006058519 /nfs/dbraw/zinc/05/85/19/1006058519.db2.gz NAFINAXEWOIQPQ-MQYQWHSLSA-N 1 3 310.442 0.232 20 0 DCADHO CNS(=O)(=O)CC[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001474453957 1017015568 /nfs/dbraw/zinc/01/55/68/1017015568.db2.gz WTWGHOCGUSNBTL-UHFFFAOYSA-N 1 3 319.471 0.159 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418147257 1006104975 /nfs/dbraw/zinc/10/49/75/1006104975.db2.gz PVHZYBYJMMTSSL-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436474448 1006203975 /nfs/dbraw/zinc/20/39/75/1006203975.db2.gz YBQPTZHFZXKYME-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001436474401 1006205731 /nfs/dbraw/zinc/20/57/31/1006205731.db2.gz HHDZAHFJDGVDKZ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436474401 1006205734 /nfs/dbraw/zinc/20/57/34/1006205734.db2.gz HHDZAHFJDGVDKZ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cncn1C ZINC001418278715 1006289360 /nfs/dbraw/zinc/28/93/60/1006289360.db2.gz AEODKANMWAOJGC-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]([NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1)C(=O)N(C)C ZINC001436788960 1006365830 /nfs/dbraw/zinc/36/58/30/1006365830.db2.gz LDVCQLIQUXDBLE-SWLSCSKDSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@H](NCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001436805065 1006380010 /nfs/dbraw/zinc/38/00/10/1006380010.db2.gz BCAVBVKHJCCBMM-QEJZJMRPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@H](NCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001436805065 1006380022 /nfs/dbraw/zinc/38/00/22/1006380022.db2.gz BCAVBVKHJCCBMM-QEJZJMRPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001418330835 1006391120 /nfs/dbraw/zinc/39/11/20/1006391120.db2.gz VHTJSNSRYVQAHS-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001418354433 1006419937 /nfs/dbraw/zinc/41/99/37/1006419937.db2.gz YFLGODNRJIUBNN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439079873 1006444889 /nfs/dbraw/zinc/44/48/89/1006444889.db2.gz DTGKQNCMCILEKB-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439079873 1006444898 /nfs/dbraw/zinc/44/48/98/1006444898.db2.gz DTGKQNCMCILEKB-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)C(=O)NC1CC1 ZINC001436950625 1006476788 /nfs/dbraw/zinc/47/67/88/1006476788.db2.gz DTLLJYAPUBTHDC-BNOWGMLFSA-N 1 3 322.453 0.375 20 0 DCADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001437006147 1006522868 /nfs/dbraw/zinc/52/28/68/1006522868.db2.gz DNIKOCQVDADNDD-CYBMUJFWSA-N 1 3 308.430 0.393 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001437094955 1006579724 /nfs/dbraw/zinc/57/97/24/1006579724.db2.gz ZIXRCUSPLPLLPB-YMAMQOFZSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439226145 1006602366 /nfs/dbraw/zinc/60/23/66/1006602366.db2.gz POBRVNVHTXIMKF-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439267919 1006642479 /nfs/dbraw/zinc/64/24/79/1006642479.db2.gz FFHPQRULWGMADA-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439267919 1006642485 /nfs/dbraw/zinc/64/24/85/1006642485.db2.gz FFHPQRULWGMADA-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN(C)CCNC(=O)C1CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439365138 1006762354 /nfs/dbraw/zinc/76/23/54/1006762354.db2.gz JWNUINRUGNQNLS-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)CCNC(=O)C1CC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439365138 1006762362 /nfs/dbraw/zinc/76/23/62/1006762362.db2.gz JWNUINRUGNQNLS-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccnc(N(C)C)c1 ZINC001437261600 1006779914 /nfs/dbraw/zinc/77/99/14/1006779914.db2.gz OIAOAMLUMCWBOQ-UKRRQHHQSA-N 1 3 319.453 0.694 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccnc(N(C)C)c1 ZINC001437261600 1006779930 /nfs/dbraw/zinc/77/99/30/1006779930.db2.gz OIAOAMLUMCWBOQ-UKRRQHHQSA-N 1 3 319.453 0.694 20 0 DCADHO Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC001437265198 1006782616 /nfs/dbraw/zinc/78/26/16/1006782616.db2.gz YRCKWNHBRDHAJR-QWHCGFSZSA-N 1 3 324.425 0.546 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001437311455 1006827531 /nfs/dbraw/zinc/82/75/31/1006827531.db2.gz MJHNDRPUZLOZCZ-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cncn1C ZINC001437386407 1006909126 /nfs/dbraw/zinc/90/91/26/1006909126.db2.gz ZZUFENLZZPMCQO-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO C[NH+]1CCC(CC(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC1 ZINC001439658088 1007115619 /nfs/dbraw/zinc/11/56/19/1007115619.db2.gz OKRVATDNDHFCAE-AWEZNQCLSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001439831440 1007224547 /nfs/dbraw/zinc/22/45/47/1007224547.db2.gz XYKRQNSURWKXTH-INIZCTEOSA-N 1 3 310.486 0.954 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001439831440 1007224560 /nfs/dbraw/zinc/22/45/60/1007224560.db2.gz XYKRQNSURWKXTH-INIZCTEOSA-N 1 3 310.486 0.954 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN(C)C1CCC1 ZINC001453267906 1007362610 /nfs/dbraw/zinc/36/26/10/1007362610.db2.gz HOXFVFNUVMZBGI-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN(C)C1CCC1 ZINC001453267906 1007362625 /nfs/dbraw/zinc/36/26/25/1007362625.db2.gz HOXFVFNUVMZBGI-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001437830655 1007442139 /nfs/dbraw/zinc/44/21/39/1007442139.db2.gz BEWGSYBKFILSDB-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001437830655 1007442144 /nfs/dbraw/zinc/44/21/44/1007442144.db2.gz BEWGSYBKFILSDB-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001437857340 1007467125 /nfs/dbraw/zinc/46/71/25/1007467125.db2.gz PVACQQNXXHWNLK-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1cc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)cn1 ZINC001440389315 1007718399 /nfs/dbraw/zinc/71/83/99/1007718399.db2.gz DCDRSMSDPJOFFF-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1c(C)nnn1CC ZINC001438367090 1007860261 /nfs/dbraw/zinc/86/02/61/1007860261.db2.gz MFTYNJDIOOMCMS-UONOGXRCSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1c(C)nnn1CC ZINC001438367090 1007860268 /nfs/dbraw/zinc/86/02/68/1007860268.db2.gz MFTYNJDIOOMCMS-UONOGXRCSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@@H](F)CN[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001440554424 1007883653 /nfs/dbraw/zinc/88/36/53/1007883653.db2.gz YMQGJKPZHMQWQD-HIFRSBDPSA-N 1 3 303.422 0.629 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](CC)C(N)=O)N(C)C ZINC001440716405 1007968392 /nfs/dbraw/zinc/96/83/92/1007968392.db2.gz CDKNPORTCFBJAK-MELADBBJSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)CC[N@@H+]1C ZINC001441189193 1008260596 /nfs/dbraw/zinc/26/05/96/1008260596.db2.gz CXOISMYMKOMGCL-BPLDGKMQSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)CC[N@H+]1C ZINC001441189193 1008260599 /nfs/dbraw/zinc/26/05/99/1008260599.db2.gz CXOISMYMKOMGCL-BPLDGKMQSA-N 1 3 322.453 0.043 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001441297897 1008312316 /nfs/dbraw/zinc/31/23/16/1008312316.db2.gz KYIRVLCVOSPSJK-GJZGRUSLSA-N 1 3 322.453 0.235 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)ncn1 ZINC001441503198 1008379121 /nfs/dbraw/zinc/37/91/21/1008379121.db2.gz HTPJNFFSBKBBCP-OKILXGFUSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441823493 1008521118 /nfs/dbraw/zinc/52/11/18/1008521118.db2.gz MXHSIRRUDZQLHQ-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C ZINC001441827277 1008525809 /nfs/dbraw/zinc/52/58/09/1008525809.db2.gz VIOBTPADHBVQNQ-DZGCQCFKSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NC2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001441832550 1008537147 /nfs/dbraw/zinc/53/71/47/1008537147.db2.gz GQKNKKMZLZCSBN-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001453562817 1008583013 /nfs/dbraw/zinc/58/30/13/1008583013.db2.gz RTAOGMJBBUTKFL-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001441857097 1008584038 /nfs/dbraw/zinc/58/40/38/1008584038.db2.gz SUUNMBDUKHBXGA-SWLSCSKDSA-N 1 3 320.437 0.720 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001453690778 1008667218 /nfs/dbraw/zinc/66/72/18/1008667218.db2.gz WRMLEBKOERITQC-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001421572604 1008746558 /nfs/dbraw/zinc/74/65/58/1008746558.db2.gz SDEQIPPWRYQUMN-RHSMWYFYSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CCCC1)N(C)C ZINC001421841573 1009154799 /nfs/dbraw/zinc/15/47/99/1009154799.db2.gz NYPDBOFWFGODHC-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001421949382 1009299876 /nfs/dbraw/zinc/29/98/76/1009299876.db2.gz ZJKMOJZUWVNFHQ-OLZOCXBDSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001421983854 1009364300 /nfs/dbraw/zinc/36/43/00/1009364300.db2.gz DSHQAHOEMDLLAA-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001422030598 1009417927 /nfs/dbraw/zinc/41/79/27/1009417927.db2.gz CJWQOMZRNPBWPW-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001422030598 1009417942 /nfs/dbraw/zinc/41/79/42/1009417942.db2.gz CJWQOMZRNPBWPW-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H](CC[NH+](C)C)C(=O)NCC(=O)NCCN1CCCCC1 ZINC001433983069 1009427615 /nfs/dbraw/zinc/42/76/15/1009427615.db2.gz GEOLPORVRRDOFA-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001422059100 1009445922 /nfs/dbraw/zinc/44/59/22/1009445922.db2.gz IESRWDKDZMTRBT-DZGCQCFKSA-N 1 3 307.442 0.697 20 0 DCADHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O)CC(C)(C)C ZINC001422277721 1009758433 /nfs/dbraw/zinc/75/84/33/1009758433.db2.gz OUEJDTCQIBKPJZ-OLZOCXBDSA-N 1 3 312.458 0.324 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001422293311 1009798457 /nfs/dbraw/zinc/79/84/57/1009798457.db2.gz KOWLUIKLTWMDMJ-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)N(C)C ZINC001442948063 1009966867 /nfs/dbraw/zinc/96/68/67/1009966867.db2.gz ZBPKSFHZGFISCO-UKRRQHHQSA-N 1 3 314.474 0.487 20 0 DCADHO CN1CCC[C@@H]1CC[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC001434468916 1009987215 /nfs/dbraw/zinc/98/72/15/1009987215.db2.gz HNLNNUUZVYZOAN-GFCCVEGCSA-N 1 3 320.441 0.685 20 0 DCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(=O)N1CCCC1 ZINC001422390550 1010002200 /nfs/dbraw/zinc/00/22/00/1010002200.db2.gz GKYRCECYINWEQQ-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001422432739 1010075877 /nfs/dbraw/zinc/07/58/77/1010075877.db2.gz XPDOGQGQVRQBEQ-KGLIPLIRSA-N 1 3 315.458 0.208 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001422463664 1010122025 /nfs/dbraw/zinc/12/20/25/1010122025.db2.gz RGYZLJHEHCGWGE-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+]1CCCC1 ZINC001443102709 1010143453 /nfs/dbraw/zinc/14/34/53/1010143453.db2.gz QAWNHAOYPZWXKS-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001456295607 1010175135 /nfs/dbraw/zinc/17/51/35/1010175135.db2.gz ISEGFIKYQXKEMV-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C[C@H](C)O)C1 ZINC001443188123 1010201006 /nfs/dbraw/zinc/20/10/06/1010201006.db2.gz MJXMAJNATSLZOP-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001443258626 1010269525 /nfs/dbraw/zinc/26/95/25/1010269525.db2.gz ZKZIEJMCVZIYPR-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001443258626 1010269534 /nfs/dbraw/zinc/26/95/34/1010269534.db2.gz ZKZIEJMCVZIYPR-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001422988862 1010789990 /nfs/dbraw/zinc/78/99/90/1010789990.db2.gz GHCBXNPEOSVGBU-GXTWGEPZSA-N 1 3 322.453 0.043 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001423092994 1010880967 /nfs/dbraw/zinc/88/09/67/1010880967.db2.gz FDLJOUVGILPWLB-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)N1CCCC1 ZINC001444387232 1010993747 /nfs/dbraw/zinc/99/37/47/1010993747.db2.gz ZFABDEUVTLRXCE-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444625435 1011102875 /nfs/dbraw/zinc/10/28/75/1011102875.db2.gz FFTICJXFVGLXED-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001444667226 1011123129 /nfs/dbraw/zinc/12/31/29/1011123129.db2.gz DSWGSCQWVPQQGU-MJBXVCDLSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001444667226 1011123133 /nfs/dbraw/zinc/12/31/33/1011123133.db2.gz DSWGSCQWVPQQGU-MJBXVCDLSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001423400036 1011123655 /nfs/dbraw/zinc/12/36/55/1011123655.db2.gz JWSWJTLOAQTYCM-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001444710592 1011142479 /nfs/dbraw/zinc/14/24/79/1011142479.db2.gz RBAWBHOXRSGZQE-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001444710592 1011142482 /nfs/dbraw/zinc/14/24/82/1011142482.db2.gz RBAWBHOXRSGZQE-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C(=O)CN1CCCC1 ZINC001444733028 1011151296 /nfs/dbraw/zinc/15/12/96/1011151296.db2.gz SJBUKBNDPFVVAL-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC001423499990 1011191606 /nfs/dbraw/zinc/19/16/06/1011191606.db2.gz VLMFXPVLUGIWGC-ZDUSSCGKSA-N 1 3 321.412 0.781 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001423631605 1011367888 /nfs/dbraw/zinc/36/78/88/1011367888.db2.gz BPOWUGUCALJCIK-WBVHZDCISA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001423638882 1011378500 /nfs/dbraw/zinc/37/85/00/1011378500.db2.gz VNPRAJSVEATWEJ-PBHICJAKSA-N 1 3 324.469 0.420 20 0 DCADHO Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C)cc1 ZINC001445265043 1011595684 /nfs/dbraw/zinc/59/56/84/1011595684.db2.gz JIVCIXLCLOKKQU-INIZCTEOSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@@H](NCc1nncn1C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001423933096 1011747343 /nfs/dbraw/zinc/74/73/43/1011747343.db2.gz BPGFJPNGNXJMNY-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCc2n[nH]c(C)n2)C1 ZINC001445432054 1011761884 /nfs/dbraw/zinc/76/18/84/1011761884.db2.gz ZNDJPMYQQAQNNB-OCCSQVGLSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCc2n[nH]c(C)n2)C1 ZINC001445432054 1011761893 /nfs/dbraw/zinc/76/18/93/1011761893.db2.gz ZNDJPMYQQAQNNB-OCCSQVGLSA-N 1 3 322.457 0.829 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001423980451 1011798841 /nfs/dbraw/zinc/79/88/41/1011798841.db2.gz OLFJLWDLUYWWLG-QDMKHBRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001423980451 1011798854 /nfs/dbraw/zinc/79/88/54/1011798854.db2.gz OLFJLWDLUYWWLG-QDMKHBRRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001445472186 1011800942 /nfs/dbraw/zinc/80/09/42/1011800942.db2.gz FRYWIZWMSZHXMH-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001445472186 1011800947 /nfs/dbraw/zinc/80/09/47/1011800947.db2.gz FRYWIZWMSZHXMH-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445549848 1011911177 /nfs/dbraw/zinc/91/11/77/1011911177.db2.gz WRLWPQWTFDDNAH-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553425026 1011963057 /nfs/dbraw/zinc/96/30/57/1011963057.db2.gz REWGOXBYZFDPKO-VGWMRTNUSA-N 1 3 317.389 0.805 20 0 DCADHO CC1CCN(CCNC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)CC1 ZINC001553426044 1011965408 /nfs/dbraw/zinc/96/54/08/1011965408.db2.gz JCISAVLDJRWWPZ-OAHLLOKOSA-N 1 3 324.469 0.868 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001432103039 1011974385 /nfs/dbraw/zinc/97/43/85/1011974385.db2.gz CMAAYUVJJVYQGY-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553444243 1011981849 /nfs/dbraw/zinc/98/18/49/1011981849.db2.gz KSOJHIFEZRERNA-IXYNUQLISA-N 1 3 308.426 0.291 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)CCC[NH+](C)C)N(C)C ZINC001432116935 1011986605 /nfs/dbraw/zinc/98/66/05/1011986605.db2.gz QJYCEAKUVVMSSW-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC12CCOCC2 ZINC001553451929 1011988462 /nfs/dbraw/zinc/98/84/62/1011988462.db2.gz WWMXADCXZZZPHD-JSGCOSHPSA-N 1 3 308.426 0.372 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001445608238 1011996076 /nfs/dbraw/zinc/99/60/76/1011996076.db2.gz XJRNHJHQBCVALM-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO CC1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[NH2+]CC1 ZINC001553495943 1012029755 /nfs/dbraw/zinc/02/97/55/1012029755.db2.gz JSHMUHYUKQNHKI-LSDHHAIUSA-N 1 3 324.469 0.617 20 0 DCADHO CC1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[NH2+]CC1 ZINC001553495934 1012030942 /nfs/dbraw/zinc/03/09/42/1012030942.db2.gz JSHMUHYUKQNHKI-CABCVRRESA-N 1 3 324.469 0.617 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553499776 1012038027 /nfs/dbraw/zinc/03/80/27/1012038027.db2.gz BXMRMAAEXQBVSV-CBBWQLFWSA-N 1 3 310.442 0.497 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCC3)CCC2)CC[N@@H+]1C ZINC001424170641 1012121256 /nfs/dbraw/zinc/12/12/56/1012121256.db2.gz CEDMGLHOSIGJRM-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N3CCC3)CCC2)CC[N@H+]1C ZINC001424170641 1012121271 /nfs/dbraw/zinc/12/12/71/1012121271.db2.gz CEDMGLHOSIGJRM-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCn3cccn3)CCC2)CCC1 ZINC001424181349 1012137684 /nfs/dbraw/zinc/13/76/84/1012137684.db2.gz GYWKLGQWHRPTDM-UHFFFAOYSA-N 1 3 319.453 0.996 20 0 DCADHO Cn1cnc([C@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2N)c1 ZINC001553979037 1012161018 /nfs/dbraw/zinc/16/10/18/1012161018.db2.gz VIULVSISHNZYGN-HOTGVXAUSA-N 1 3 323.404 0.928 20 0 DCADHO Cn1cnc([C@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2N)c1 ZINC001553979037 1012161028 /nfs/dbraw/zinc/16/10/28/1012161028.db2.gz VIULVSISHNZYGN-HOTGVXAUSA-N 1 3 323.404 0.928 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001445895748 1012404198 /nfs/dbraw/zinc/40/41/98/1012404198.db2.gz WNIMJEBZEIJDOS-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001432425951 1012473484 /nfs/dbraw/zinc/47/34/84/1012473484.db2.gz AUCZRUVZMSWMSJ-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001432425951 1012473491 /nfs/dbraw/zinc/47/34/91/1012473491.db2.gz AUCZRUVZMSWMSJ-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001432461276 1012518515 /nfs/dbraw/zinc/51/85/15/1012518515.db2.gz OCZOVWNWSOSBRL-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001432461276 1012518531 /nfs/dbraw/zinc/51/85/31/1012518531.db2.gz OCZOVWNWSOSBRL-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC001548431551 1012627367 /nfs/dbraw/zinc/62/73/67/1012627367.db2.gz HNOJBRDZRPPMFW-ARFHVFGLSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC001548431551 1012627378 /nfs/dbraw/zinc/62/73/78/1012627378.db2.gz HNOJBRDZRPPMFW-ARFHVFGLSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)C[C@@H]1c1cnn(C)c1 ZINC001548431551 1012627388 /nfs/dbraw/zinc/62/73/88/1012627388.db2.gz HNOJBRDZRPPMFW-ARFHVFGLSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)C[C@@H]1c1cnn(C)c1 ZINC001548431551 1012627402 /nfs/dbraw/zinc/62/74/02/1012627402.db2.gz HNOJBRDZRPPMFW-ARFHVFGLSA-N 1 3 319.453 0.666 20 0 DCADHO CN1CCNC[C@@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC001548561669 1012716667 /nfs/dbraw/zinc/71/66/67/1012716667.db2.gz RRHTYDPSBPCSMJ-LLVKDONJSA-N 1 3 309.439 0.452 20 0 DCADHO O=C(N[C@H]1COC2(CNC2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC001548568584 1012727622 /nfs/dbraw/zinc/72/76/22/1012727622.db2.gz ISJFEPLZSBENNK-LLVKDONJSA-N 1 3 306.366 0.002 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1)C(N)=O ZINC001446301486 1012737761 /nfs/dbraw/zinc/73/77/61/1012737761.db2.gz UCZIODCBDPTRPB-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001548573676 1012745379 /nfs/dbraw/zinc/74/53/79/1012745379.db2.gz UAANEPADNYWMJF-OLZOCXBDSA-N 1 3 303.362 0.557 20 0 DCADHO C[C@@H]([NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCCC1)C(N)=O ZINC001506518665 1017335522 /nfs/dbraw/zinc/33/55/22/1017335522.db2.gz IOTBWHYAIKBTER-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CNC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001506853604 1017615617 /nfs/dbraw/zinc/61/56/17/1017615617.db2.gz KHWIJRRZXGSRIJ-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(N)=O)N(CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001479875137 1017921252 /nfs/dbraw/zinc/92/12/52/1017921252.db2.gz ONBNKOUWBYWGJU-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C[C@H]1C ZINC001499851806 1018103400 /nfs/dbraw/zinc/10/34/00/1018103400.db2.gz BIKUPZCSTDGPNZ-ZIAGYGMSSA-N 1 3 322.457 0.626 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001499858397 1018105497 /nfs/dbraw/zinc/10/54/97/1018105497.db2.gz VNRBPWUCJBUBFP-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](NC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001499923319 1018136059 /nfs/dbraw/zinc/13/60/59/1018136059.db2.gz XNTBZPXKLGQLFN-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001495033899 1018250004 /nfs/dbraw/zinc/25/00/04/1018250004.db2.gz HDAYZRBLDSQTPH-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC ZINC001495068980 1018283083 /nfs/dbraw/zinc/28/30/83/1018283083.db2.gz OAKHRXLNASPCMH-GXTWGEPZSA-N 1 3 312.458 0.337 20 0 DCADHO Cn1nccc1CNC[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001495278035 1018441037 /nfs/dbraw/zinc/44/10/37/1018441037.db2.gz SCTXKRUVUKASRQ-MRXNPFEDSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CNCC(N)=O)[NH+](CC)CC ZINC001480361050 1018466956 /nfs/dbraw/zinc/46/69/56/1018466956.db2.gz HHCNJVSXITXZMT-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001497899426 1018504373 /nfs/dbraw/zinc/50/43/73/1018504373.db2.gz KEICCUOOADEQAM-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H]([NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001495446330 1018509859 /nfs/dbraw/zinc/50/98/59/1018509859.db2.gz WHNJRJHACJRGEI-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001480472051 1018568671 /nfs/dbraw/zinc/56/86/71/1018568671.db2.gz MQBCXTXJQLJBPP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001480472051 1018568683 /nfs/dbraw/zinc/56/86/83/1018568683.db2.gz MQBCXTXJQLJBPP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001498042405 1018607163 /nfs/dbraw/zinc/60/71/63/1018607163.db2.gz OYQFSQYNLPLNDH-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cnnn1C ZINC001495684561 1018647719 /nfs/dbraw/zinc/64/77/19/1018647719.db2.gz NHXUWYSVKNJETD-LBPRGKRZSA-N 1 3 308.430 0.141 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001495755838 1018683237 /nfs/dbraw/zinc/68/32/37/1018683237.db2.gz XXQBLMAVYLIGDD-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001480623666 1018716066 /nfs/dbraw/zinc/71/60/66/1018716066.db2.gz GMMIVULOUXLHIK-AWEZNQCLSA-N 1 3 307.442 0.495 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001480649040 1018742433 /nfs/dbraw/zinc/74/24/33/1018742433.db2.gz RNHLGHCCSFPZKO-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001480680442 1018770288 /nfs/dbraw/zinc/77/02/88/1018770288.db2.gz TVXFFRXEWLLJJP-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001498233418 1018789212 /nfs/dbraw/zinc/78/92/12/1018789212.db2.gz MZDPYNJTNUYWSC-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146311 1019112942 /nfs/dbraw/zinc/11/29/42/1019112942.db2.gz YBVHZHMLSLDUNV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496156487 1019121177 /nfs/dbraw/zinc/12/11/77/1019121177.db2.gz ZLAVLDCKRBCUFR-SWLSCSKDSA-N 1 3 303.422 0.628 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1CCn1cccn1 ZINC001493129961 1019126003 /nfs/dbraw/zinc/12/60/03/1019126003.db2.gz UOOJPXTUSBEQQG-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001501579006 1019302838 /nfs/dbraw/zinc/30/28/38/1019302838.db2.gz VNAILUATLDBDLK-HIFRSBDPSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001501618230 1019333282 /nfs/dbraw/zinc/33/32/82/1019333282.db2.gz JJORBGAKQRVFTN-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498785660 1019427682 /nfs/dbraw/zinc/42/76/82/1019427682.db2.gz IXIQHJBJWBMWEB-CQSZACIVSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001493696104 1019639836 /nfs/dbraw/zinc/63/98/36/1019639836.db2.gz PJOGAWDRFGWEDD-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001493696104 1019639842 /nfs/dbraw/zinc/63/98/42/1019639842.db2.gz PJOGAWDRFGWEDD-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C)N(C)C ZINC001493801630 1019716533 /nfs/dbraw/zinc/71/65/33/1019716533.db2.gz ZLTXVIBQCVJVFP-ZNMIVQPWSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C[C@@H](O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000351722141 282211061 /nfs/dbraw/zinc/21/10/61/282211061.db2.gz WHCZNMOXJJKKOQ-QBPKDAKJSA-N 1 3 311.470 0.625 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CNCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333483636 299160260 /nfs/dbraw/zinc/16/02/60/299160260.db2.gz BRQROLKSJDCBSS-DZKIICNBSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CNCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333483636 299160264 /nfs/dbraw/zinc/16/02/64/299160264.db2.gz BRQROLKSJDCBSS-DZKIICNBSA-N 1 3 324.469 0.927 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000342753295 291049869 /nfs/dbraw/zinc/04/98/69/291049869.db2.gz POGKGZKVJANZCP-XEZPLFJOSA-N 1 3 313.442 0.894 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)CN1C1CC1 ZINC000262062085 291069747 /nfs/dbraw/zinc/06/97/47/291069747.db2.gz AWYYHKZAMYYWMF-UONOGXRCSA-N 1 3 317.437 0.703 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000236838546 202032460 /nfs/dbraw/zinc/03/24/60/202032460.db2.gz ASZLXKORPHZSEU-AWEZNQCLSA-N 1 3 312.458 0.372 20 0 DCADHO O=C1CNC(=O)N1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949095 237168051 /nfs/dbraw/zinc/16/80/51/237168051.db2.gz APGHRHSPWBDJDU-UHFFFAOYSA-N 1 3 324.425 0.115 20 0 DCADHO O=C(NCCNc1ccncc1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566171870 291276544 /nfs/dbraw/zinc/27/65/44/291276544.db2.gz WXTDSWRLHLMYQA-HNNXBMFYSA-N 1 3 314.393 0.466 20 0 DCADHO Cn1cc(N2CC[C@H](N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)C2=O)cn1 ZINC000420328764 240023534 /nfs/dbraw/zinc/02/35/34/240023534.db2.gz MYPTXJGQNXCKJT-YCPHGPKFSA-N 1 3 317.437 0.847 20 0 DCADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420064502 240014157 /nfs/dbraw/zinc/01/41/57/240014157.db2.gz OYSCETNHQYQNBJ-OAHLLOKOSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000566974546 291331715 /nfs/dbraw/zinc/33/17/15/291331715.db2.gz ZPBIRTCKPKXDNE-QWHCGFSZSA-N 1 3 320.437 0.606 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000423025375 240189514 /nfs/dbraw/zinc/18/95/14/240189514.db2.gz LOHHYSRKGUYISM-UXLLHSPISA-N 1 3 320.481 0.991 20 0 DCADHO CN(C(=O)COC1C[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423711278 240241061 /nfs/dbraw/zinc/24/10/61/240241061.db2.gz MHVURBCAWOEQCE-HNNXBMFYSA-N 1 3 303.406 0.708 20 0 DCADHO CNC(=O)[C@]1(C)CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000430279534 240390881 /nfs/dbraw/zinc/39/08/81/240390881.db2.gz UEKKZIPGVLGVDO-QGZVFWFLSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000457781994 241036794 /nfs/dbraw/zinc/03/67/94/241036794.db2.gz DIWWOMRRQMGDDW-GOEBONIOSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000457781994 241036799 /nfs/dbraw/zinc/03/67/99/241036799.db2.gz DIWWOMRRQMGDDW-GOEBONIOSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)NC[C@H]1CCCN1CCCO ZINC000457542024 241013649 /nfs/dbraw/zinc/01/36/49/241013649.db2.gz RHWSVIWCKONSBV-OAHLLOKOSA-N 1 3 312.458 0.618 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567845426 291384351 /nfs/dbraw/zinc/38/43/51/291384351.db2.gz YDCAADSNUAFNOU-IKGGRYGDSA-N 1 3 317.433 0.911 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000567867382 291386045 /nfs/dbraw/zinc/38/60/45/291386045.db2.gz NVZHQHZODZGDFF-RYUDHWBXSA-N 1 3 306.410 0.929 20 0 DCADHO [NH3+][C@H]1CCC[C@@H](NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000568248750 291416894 /nfs/dbraw/zinc/41/68/94/291416894.db2.gz ZGNAHPXISGDECA-JKSUJKDBSA-N 1 3 308.470 0.790 20 0 DCADHO CNCc1cccc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000571999608 291543255 /nfs/dbraw/zinc/54/32/55/291543255.db2.gz NCMMKOYUHDRDOJ-UHFFFAOYSA-N 1 3 302.382 0.989 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)n1 ZINC000574648053 291708212 /nfs/dbraw/zinc/70/82/12/291708212.db2.gz DVNNPXDDPAOVGI-AWEZNQCLSA-N 1 3 305.426 0.755 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN(CC)CC)C1 ZINC000339576073 253107719 /nfs/dbraw/zinc/10/77/19/253107719.db2.gz CNIAHDABDVCAJL-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN(CC)CC)C1 ZINC000339576073 253107721 /nfs/dbraw/zinc/10/77/21/253107721.db2.gz CNIAHDABDVCAJL-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000339669790 253124759 /nfs/dbraw/zinc/12/47/59/253124759.db2.gz IDKDEHGJBSMAMA-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000339669790 253124761 /nfs/dbraw/zinc/12/47/61/253124761.db2.gz IDKDEHGJBSMAMA-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000339583422 253108749 /nfs/dbraw/zinc/10/87/49/253108749.db2.gz VXJDRZBPAVYXCE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000339583422 253108750 /nfs/dbraw/zinc/10/87/50/253108750.db2.gz VXJDRZBPAVYXCE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339651876 253121315 /nfs/dbraw/zinc/12/13/15/253121315.db2.gz OSDZGLGARHTFJC-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000340118549 253203161 /nfs/dbraw/zinc/20/31/61/253203161.db2.gz DOUHPIMUNOJWGW-BZUAXINKSA-N 1 3 310.486 0.751 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340261348 253226428 /nfs/dbraw/zinc/22/64/28/253226428.db2.gz QHHVWDMELLQUKU-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341205939 253357611 /nfs/dbraw/zinc/35/76/11/253357611.db2.gz RWYXPHQIVGYTFS-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341205939 253357614 /nfs/dbraw/zinc/35/76/14/253357614.db2.gz RWYXPHQIVGYTFS-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000341292642 253365150 /nfs/dbraw/zinc/36/51/50/253365150.db2.gz DJQVOJPGFMHWAX-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000341292642 253365153 /nfs/dbraw/zinc/36/51/53/253365153.db2.gz DJQVOJPGFMHWAX-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346286863 254032363 /nfs/dbraw/zinc/03/23/63/254032363.db2.gz ONSLBUVDBCIFLG-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347984174 254209225 /nfs/dbraw/zinc/20/92/25/254209225.db2.gz VRSMSZDIPLXQBB-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000352096413 254398300 /nfs/dbraw/zinc/39/83/00/254398300.db2.gz FRVGIWIACUAKDY-OCCSQVGLSA-N 1 3 314.474 0.569 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H](CN2CCCC[C@@H]2CC[NH3+])C1 ZINC000093698402 395738782 /nfs/dbraw/zinc/73/87/82/395738782.db2.gz IBCIOMUHZWDJPB-UONOGXRCSA-N 1 3 303.472 0.861 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCOCC[NH+](C)C)C1(C)C ZINC000233751292 395887263 /nfs/dbraw/zinc/88/72/63/395887263.db2.gz UKBMPURHFWRTPC-IUODEOHRSA-N 1 3 301.431 0.213 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000237055466 395901647 /nfs/dbraw/zinc/90/16/47/395901647.db2.gz BJKRRBVSHCUJPG-UHFFFAOYSA-N 1 3 304.438 0.773 20 0 DCADHO C[C@H](CNC(=O)CN1CCC(C)CC1)C[NH+]1CCN(C)CC1 ZINC000136308654 395946066 /nfs/dbraw/zinc/94/60/66/395946066.db2.gz CBOZLBYPJNWFSY-MRXNPFEDSA-N 1 3 310.486 0.718 20 0 DCADHO O=C(CC[C@H]1CC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000261795334 396067292 /nfs/dbraw/zinc/06/72/92/396067292.db2.gz KQARKLSSHHOWRM-HNNXBMFYSA-N 1 3 322.453 0.143 20 0 DCADHO [NH3+][C@@H]1CN(CCC(=O)N2CCNCC2)C[C@H]1c1ccccc1 ZINC000262126227 396102257 /nfs/dbraw/zinc/10/22/57/396102257.db2.gz NRAWPOHANUURFG-JKSUJKDBSA-N 1 3 302.422 0.235 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262328906 396124807 /nfs/dbraw/zinc/12/48/07/396124807.db2.gz SAPRBRXIPYDWGE-HNNXBMFYSA-N 1 3 319.453 0.952 20 0 DCADHO CN1CCC(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261926978 396080491 /nfs/dbraw/zinc/08/04/91/396080491.db2.gz VTYPJFPMPPPJRA-GFCCVEGCSA-N 1 3 322.375 0.281 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000263254739 396209280 /nfs/dbraw/zinc/20/92/80/396209280.db2.gz QDPDSUMLFWHOIN-ZFWWWQNUSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000263254739 396209283 /nfs/dbraw/zinc/20/92/83/396209283.db2.gz QDPDSUMLFWHOIN-ZFWWWQNUSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000279026247 396147736 /nfs/dbraw/zinc/14/77/36/396147736.db2.gz PCWKNRIGBFCYKO-CHWSQXEVSA-N 1 3 305.426 0.948 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000262510206 396149075 /nfs/dbraw/zinc/14/90/75/396149075.db2.gz LZQQZMVVGQUNKD-SIXLDLHFSA-N 1 3 317.433 0.879 20 0 DCADHO C[C@@H](C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1)[C@H](C)[NH3+] ZINC000262520887 396150173 /nfs/dbraw/zinc/15/01/73/396150173.db2.gz ILERKXDARMRUPB-OLZOCXBDSA-N 1 3 320.437 0.578 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000262663155 396170217 /nfs/dbraw/zinc/17/02/17/396170217.db2.gz ZWKPNHUNHJDJSW-RDJZCZTQSA-N 1 3 318.465 0.699 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1OCCN(C)C ZINC000262902474 396190968 /nfs/dbraw/zinc/19/09/68/396190968.db2.gz PVCIECXDMCAEOX-CQSZACIVSA-N 1 3 309.410 0.607 20 0 DCADHO CN(C)CCOc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000183163324 396263796 /nfs/dbraw/zinc/26/37/96/396263796.db2.gz ZGQAYVVJRLBLHL-CQSZACIVSA-N 1 3 306.410 0.798 20 0 DCADHO CCC[C@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265604516 396329564 /nfs/dbraw/zinc/32/95/64/396329564.db2.gz DAJSWCBDMGETKH-HAXSWAOGSA-N 1 3 324.469 0.623 20 0 DCADHO CCC[C@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265604516 396329567 /nfs/dbraw/zinc/32/95/67/396329567.db2.gz DAJSWCBDMGETKH-HAXSWAOGSA-N 1 3 324.469 0.623 20 0 DCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000187903080 396376359 /nfs/dbraw/zinc/37/63/59/396376359.db2.gz QDWINLHITNCYDS-LSDHHAIUSA-N 1 3 307.394 0.942 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000519695438 396524866 /nfs/dbraw/zinc/52/48/66/396524866.db2.gz WHRKNPFTSNHMKO-CVEARBPZSA-N 1 3 320.437 0.967 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000519764377 396525566 /nfs/dbraw/zinc/52/55/66/396525566.db2.gz DBKXPIRROQWKOL-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000530574789 396578765 /nfs/dbraw/zinc/57/87/65/396578765.db2.gz DDGYYUIRDVJHQG-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000530574789 396578769 /nfs/dbraw/zinc/57/87/69/396578769.db2.gz DDGYYUIRDVJHQG-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000530574788 396578954 /nfs/dbraw/zinc/57/89/54/396578954.db2.gz DDGYYUIRDVJHQG-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000530574788 396578955 /nfs/dbraw/zinc/57/89/55/396578955.db2.gz DDGYYUIRDVJHQG-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](OC[C@H]1CCCO1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530644728 396580547 /nfs/dbraw/zinc/58/05/47/396580547.db2.gz HTIIAORWJHOTMZ-LSDHHAIUSA-N 1 3 315.458 0.522 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000581946403 396595902 /nfs/dbraw/zinc/59/59/02/396595902.db2.gz LSDUKCVYOCFZAH-CYBMUJFWSA-N 1 3 303.410 0.914 20 0 DCADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582006656 396601075 /nfs/dbraw/zinc/60/10/75/396601075.db2.gz QTDWMFYQBSDMBK-WCQYABFASA-N 1 3 312.439 0.533 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000561163827 396632119 /nfs/dbraw/zinc/63/21/19/396632119.db2.gz RMLITKVJEFYWKH-HNNXBMFYSA-N 1 3 313.490 0.783 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000562813174 396680961 /nfs/dbraw/zinc/68/09/61/396680961.db2.gz XNVJOAISVHHWQV-OAHLLOKOSA-N 1 3 312.458 0.378 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563644866 396765675 /nfs/dbraw/zinc/76/56/75/396765675.db2.gz RDIPIWQUZOARGU-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564795211 396867997 /nfs/dbraw/zinc/86/79/97/396867997.db2.gz IOFSURQFLIIWAV-BFHYXJOUSA-N 1 3 310.442 0.077 20 0 DCADHO COc1ccc([C@H](CO)C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629584701 396800920 /nfs/dbraw/zinc/80/09/20/396800920.db2.gz WHHPLCFAAKIAEQ-HOTGVXAUSA-N 1 3 308.422 0.817 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCC2([NH3+])CCC2)C1 ZINC000333655115 396930039 /nfs/dbraw/zinc/93/00/39/396930039.db2.gz KMJQCIRFCCBVGT-KBPBESRZSA-N 1 3 310.442 0.763 20 0 DCADHO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000376532092 396942754 /nfs/dbraw/zinc/94/27/54/396942754.db2.gz QWJOTJPLWWBMHP-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000376532092 396942761 /nfs/dbraw/zinc/94/27/61/396942761.db2.gz QWJOTJPLWWBMHP-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO CCN(CCCC[N@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000571845523 396993072 /nfs/dbraw/zinc/99/30/72/396993072.db2.gz TYFBJETUUUJQQO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCCC[N@@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000571845523 396993075 /nfs/dbraw/zinc/99/30/75/396993075.db2.gz TYFBJETUUUJQQO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000618666148 397006333 /nfs/dbraw/zinc/00/63/33/397006333.db2.gz WCOVYCALFZHLFV-NVXWUHKLSA-N 1 3 320.481 0.900 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000618666148 397006340 /nfs/dbraw/zinc/00/63/40/397006340.db2.gz WCOVYCALFZHLFV-NVXWUHKLSA-N 1 3 320.481 0.900 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000612549305 397091698 /nfs/dbraw/zinc/09/16/98/397091698.db2.gz XEGIOFFBJGWSLB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000612549305 397091703 /nfs/dbraw/zinc/09/17/03/397091703.db2.gz XEGIOFFBJGWSLB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN(C(=O)C2CCN(CCN3CC[NH2+]CC3)CC2)C1 ZINC000573325169 397158299 /nfs/dbraw/zinc/15/82/99/397158299.db2.gz WMZROHQRQADWQZ-INIZCTEOSA-N 1 3 322.497 0.862 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000573686851 397195682 /nfs/dbraw/zinc/19/56/82/397195682.db2.gz WKLZHSYDFQRNKE-OLZOCXBDSA-N 1 3 306.414 0.102 20 0 DCADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000573821427 397210003 /nfs/dbraw/zinc/21/00/03/397210003.db2.gz HKYZITGTXQLBND-ARFHVFGLSA-N 1 3 323.485 0.263 20 0 DCADHO CN(C)C/C=C/C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000364596039 397225371 /nfs/dbraw/zinc/22/53/71/397225371.db2.gz SAONOUJHQMVDAA-BVBGJJFLSA-N 1 3 308.470 0.733 20 0 DCADHO CN(C)C/C=C/C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000364596039 397225377 /nfs/dbraw/zinc/22/53/77/397225377.db2.gz SAONOUJHQMVDAA-BVBGJJFLSA-N 1 3 308.470 0.733 20 0 DCADHO CN(C)Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000574197379 397244374 /nfs/dbraw/zinc/24/43/74/397244374.db2.gz TZHWUMZNEYHSNM-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620483986 397279006 /nfs/dbraw/zinc/27/90/06/397279006.db2.gz HBBYHLKIOOLBRU-HZPDHXFCSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620483986 397279010 /nfs/dbraw/zinc/27/90/10/397279010.db2.gz HBBYHLKIOOLBRU-HZPDHXFCSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CCN1C ZINC000592960256 397304583 /nfs/dbraw/zinc/30/45/83/397304583.db2.gz WERNKZPEBFHXCA-FRRDWIJNSA-N 1 3 305.426 0.932 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419952828 397384812 /nfs/dbraw/zinc/38/48/12/397384812.db2.gz KDMNSCAULMFCFE-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000577767139 397360916 /nfs/dbraw/zinc/36/09/16/397360916.db2.gz SYTSTEBLDYCMTN-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000577767139 397360920 /nfs/dbraw/zinc/36/09/20/397360920.db2.gz SYTSTEBLDYCMTN-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000577868028 397368375 /nfs/dbraw/zinc/36/83/75/397368375.db2.gz ONXYZVOGYPCPOI-QLFBSQMISA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419034914 397378397 /nfs/dbraw/zinc/37/83/97/397378397.db2.gz GMDMQRQYVYVKTM-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO N[C@H](C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1)C1CCOCC1 ZINC000370294660 397466234 /nfs/dbraw/zinc/46/62/34/397466234.db2.gz RBYKRWKWOKKFHV-OAGGEKHMSA-N 1 3 321.396 0.833 20 0 DCADHO CN1CCC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H]1c1cccs1 ZINC000479281329 397459432 /nfs/dbraw/zinc/45/94/32/397459432.db2.gz MPYWOYRDRMYVRI-KYEXWDHISA-N 1 3 323.462 0.970 20 0 DCADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000579003677 397514299 /nfs/dbraw/zinc/51/42/99/397514299.db2.gz LXOWATLCIGGESW-OWCLPIDISA-N 1 3 311.470 0.830 20 0 DCADHO CN1CCN(c2ncc(CN3CCC(CC[NH3+])CC3)cn2)CC1 ZINC000578992114 397510900 /nfs/dbraw/zinc/51/09/00/397510900.db2.gz NAROSLJXTWBHLO-UHFFFAOYSA-N 1 3 318.469 0.789 20 0 DCADHO COC[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000578998504 397511542 /nfs/dbraw/zinc/51/15/42/397511542.db2.gz UIYJLDZWUATTSE-KRWDZBQOSA-N 1 3 307.438 0.531 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000579333472 397552412 /nfs/dbraw/zinc/55/24/12/397552412.db2.gz JOEZWEJBJBKVLN-INIZCTEOSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC[N@@H+]1C ZINC000579131750 397528489 /nfs/dbraw/zinc/52/84/89/397528489.db2.gz RIXBZYROTGBCPS-OCCSQVGLSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC[N@H+]1C ZINC000579131750 397528493 /nfs/dbraw/zinc/52/84/93/397528493.db2.gz RIXBZYROTGBCPS-OCCSQVGLSA-N 1 3 322.453 0.328 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000606699477 397686705 /nfs/dbraw/zinc/68/67/05/397686705.db2.gz OMGUSWNHUCHRJV-UKRRQHHQSA-N 1 3 312.458 0.737 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1(C)C ZINC000377572780 286305473 /nfs/dbraw/zinc/30/54/73/286305473.db2.gz UBVFVHWRLLYUBY-JJRVBVJISA-N 1 3 324.469 0.025 20 0 DCADHO CCN1CCC(NC(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000118842076 158178927 /nfs/dbraw/zinc/17/89/27/158178927.db2.gz OKIFAFZPCBSDOU-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCC(NC(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000118842076 158178931 /nfs/dbraw/zinc/17/89/31/158178931.db2.gz OKIFAFZPCBSDOU-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)CN1CCN(C)CC1 ZINC000367644535 159348055 /nfs/dbraw/zinc/34/80/55/159348055.db2.gz UCKZZWKIELKRGG-XYJFISCASA-N 1 3 322.497 0.766 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN(C)C)[C@H](C)C1 ZINC000133695059 287012379 /nfs/dbraw/zinc/01/23/79/287012379.db2.gz ADPOXNWGMLIWFC-HUUCEWRRSA-N 1 3 314.474 0.984 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN(C)C)[C@H](C)C1 ZINC000133695059 287012381 /nfs/dbraw/zinc/01/23/81/287012381.db2.gz ADPOXNWGMLIWFC-HUUCEWRRSA-N 1 3 314.474 0.984 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355266450 287178757 /nfs/dbraw/zinc/17/87/57/287178757.db2.gz BVHQMAMLRPNHBH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000358722499 287212875 /nfs/dbraw/zinc/21/28/75/287212875.db2.gz OMYQQMCIKZBMEZ-XJKSGUPXSA-N 1 3 314.474 0.719 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000332575620 287219117 /nfs/dbraw/zinc/21/91/17/287219117.db2.gz FNYKJCVTXPLHLP-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418933542 287252919 /nfs/dbraw/zinc/25/29/19/287252919.db2.gz IKSXJZXHYLYIEV-BYNSBNAKSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000419020877 287261700 /nfs/dbraw/zinc/26/17/00/287261700.db2.gz GIAOTOWPYOJHTL-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419024322 287263289 /nfs/dbraw/zinc/26/32/89/287263289.db2.gz KMIZBHHGBYDQDR-QPSCCSFWSA-N 1 3 324.469 0.467 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419147647 287268611 /nfs/dbraw/zinc/26/86/11/287268611.db2.gz CDISOJJRVYSNNJ-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419147647 287268612 /nfs/dbraw/zinc/26/86/12/287268612.db2.gz CDISOJJRVYSNNJ-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1=CC[N@H+](C)CC1 ZINC000332113352 415252388 /nfs/dbraw/zinc/25/23/88/415252388.db2.gz WPIVGHCSANHEIO-UKRRQHHQSA-N 1 3 320.437 0.060 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000332113352 415252392 /nfs/dbraw/zinc/25/23/92/415252392.db2.gz WPIVGHCSANHEIO-UKRRQHHQSA-N 1 3 320.437 0.060 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000332151230 415267178 /nfs/dbraw/zinc/26/71/78/415267178.db2.gz NBXYREQUPIKIEY-KKUMJFAQSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000332062823 415224891 /nfs/dbraw/zinc/22/48/91/415224891.db2.gz QOUCRAYQJGDBSO-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000332062823 415224894 /nfs/dbraw/zinc/22/48/94/415224894.db2.gz QOUCRAYQJGDBSO-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332271958 415326690 /nfs/dbraw/zinc/32/66/90/415326690.db2.gz CGXXLHHTYVOCRJ-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343200901 415500169 /nfs/dbraw/zinc/50/01/69/415500169.db2.gz CBCWOTWIKMFRRX-VVLHAWIVSA-N 1 3 322.497 0.859 20 0 DCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343200901 415500176 /nfs/dbraw/zinc/50/01/76/415500176.db2.gz CBCWOTWIKMFRRX-VVLHAWIVSA-N 1 3 322.497 0.859 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000074616423 415432858 /nfs/dbraw/zinc/43/28/58/415432858.db2.gz HEFBPCOOPITKGS-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000074616423 415432868 /nfs/dbraw/zinc/43/28/68/415432868.db2.gz HEFBPCOOPITKGS-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C1CC1 ZINC000343283284 415528325 /nfs/dbraw/zinc/52/83/25/415528325.db2.gz APRBVSFVSSJYBX-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C1CC1 ZINC000343283284 415528332 /nfs/dbraw/zinc/52/83/32/415528332.db2.gz APRBVSFVSSJYBX-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C1CC1 ZINC000343300232 415542395 /nfs/dbraw/zinc/54/23/95/415542395.db2.gz IAWDVSMULRETOM-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C1CC1 ZINC000343300232 415542400 /nfs/dbraw/zinc/54/24/00/415542400.db2.gz IAWDVSMULRETOM-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333360417 415622223 /nfs/dbraw/zinc/62/22/23/415622223.db2.gz KYLQRXRSAPMYSZ-BARDWOONSA-N 1 3 310.442 0.394 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CCCO1 ZINC000333600527 415693795 /nfs/dbraw/zinc/69/37/95/415693795.db2.gz BXAHSSNIGUKUHR-CABCVRRESA-N 1 3 310.442 0.763 20 0 DCADHO CN1CC=C(CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000343711384 415696238 /nfs/dbraw/zinc/69/62/38/415696238.db2.gz FPOXTRNZDPUTJG-UHFFFAOYSA-N 1 3 323.485 0.574 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000343708101 415692264 /nfs/dbraw/zinc/69/22/64/415692264.db2.gz AIFOJCQUYMGYQK-SJORKVTESA-N 1 3 320.481 0.853 20 0 DCADHO CN1CCC[C@@]2(CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)C2)C1 ZINC000333703046 415719409 /nfs/dbraw/zinc/71/94/09/415719409.db2.gz RCSJDKAPDDFABU-GOEBONIOSA-N 1 3 310.442 0.492 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000343720813 415697972 /nfs/dbraw/zinc/69/79/72/415697972.db2.gz KMXKQTGEQDJJPJ-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)OC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343746882 415707661 /nfs/dbraw/zinc/70/76/61/415707661.db2.gz XYTCZHCYAHMWKU-NVXWUHKLSA-N 1 3 313.486 0.873 20 0 DCADHO CC[NH+](CC)CCOC1CCN(C[C@@](C)(O)C(=O)OC)CC1 ZINC000343758731 415713904 /nfs/dbraw/zinc/71/39/04/415713904.db2.gz ODSFKDHMBRRJJD-MRXNPFEDSA-N 1 3 316.442 0.733 20 0 DCADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H](CN)OC ZINC000289944466 415739176 /nfs/dbraw/zinc/73/91/76/415739176.db2.gz LRMWZNVUFCHBFQ-MRXNPFEDSA-N 1 3 323.437 0.997 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000120502566 415768687 /nfs/dbraw/zinc/76/86/87/415768687.db2.gz ITJVIQVRSZCKCF-KRWDZBQOSA-N 1 3 310.486 0.910 20 0 DCADHO C[NH2+]CCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000121613951 415812144 /nfs/dbraw/zinc/81/21/44/415812144.db2.gz HXBKTZOSNVCKBX-UHFFFAOYSA-N 1 3 304.438 0.924 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2C)CC[C@H]1N1CCN(C)CC1 ZINC000337180354 415922844 /nfs/dbraw/zinc/92/28/44/415922844.db2.gz LSXQRFARHZDTBJ-FGTMMUONSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCOC[C@@H]2C)CC[C@H]1N1CCN(C)CC1 ZINC000337180354 415922845 /nfs/dbraw/zinc/92/28/45/415922845.db2.gz LSXQRFARHZDTBJ-FGTMMUONSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CCN2CCOC[C@@H]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000337180354 415922848 /nfs/dbraw/zinc/92/28/48/415922848.db2.gz LSXQRFARHZDTBJ-FGTMMUONSA-N 1 3 324.513 0.665 20 0 DCADHO CCN(CC)CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000356460514 415925653 /nfs/dbraw/zinc/92/56/53/415925653.db2.gz QDCKRPXTPXSDLU-UHFFFAOYSA-N 1 3 308.426 0.980 20 0 DCADHO CC[C@H](C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1)N(C)C ZINC000338204169 416058790 /nfs/dbraw/zinc/05/87/90/416058790.db2.gz JNGNPAMXSUWRAM-CQSZACIVSA-N 1 3 313.442 0.718 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1C[C@@H](F)CN1 ZINC000357333626 416064001 /nfs/dbraw/zinc/06/40/01/416064001.db2.gz UTMUOYUNFOLWSX-ZIAGYGMSSA-N 1 3 309.385 0.943 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000300281313 416072827 /nfs/dbraw/zinc/07/28/27/416072827.db2.gz BWUHSIASULRJCJ-JONQDZQNSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000300281313 416072829 /nfs/dbraw/zinc/07/28/29/416072829.db2.gz BWUHSIASULRJCJ-JONQDZQNSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000300281313 416072833 /nfs/dbraw/zinc/07/28/33/416072833.db2.gz BWUHSIASULRJCJ-JONQDZQNSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000300281313 416072836 /nfs/dbraw/zinc/07/28/36/416072836.db2.gz BWUHSIASULRJCJ-JONQDZQNSA-N 1 3 300.443 0.815 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174232302 416075157 /nfs/dbraw/zinc/07/51/57/416075157.db2.gz MNGMMTSEKBFJPL-OAHLLOKOSA-N 1 3 312.458 0.692 20 0 DCADHO CCN1CCN(CCC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000338000822 416032570 /nfs/dbraw/zinc/03/25/70/416032570.db2.gz ITVRAXOARUHPHF-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000338000822 416032574 /nfs/dbraw/zinc/03/25/74/416032574.db2.gz ITVRAXOARUHPHF-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C(=O)[C@H]1CCC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000178885812 416176078 /nfs/dbraw/zinc/17/60/78/416176078.db2.gz SLMRAPSEBFMPAE-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000346114006 416187947 /nfs/dbraw/zinc/18/79/47/416187947.db2.gz FVGCNMVXRDTCBB-KBPBESRZSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358257149 416219265 /nfs/dbraw/zinc/21/92/65/416219265.db2.gz UPKJDXMGNRDYQA-QAPCUYQASA-N 1 3 319.449 0.780 20 0 DCADHO C[C@H](CC(=O)NCCc1ccccc1)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257149 416219269 /nfs/dbraw/zinc/21/92/69/416219269.db2.gz UPKJDXMGNRDYQA-QAPCUYQASA-N 1 3 319.449 0.780 20 0 DCADHO C[C@H](CN(C)C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000358491276 416244962 /nfs/dbraw/zinc/24/49/62/416244962.db2.gz DQZUSJACCUROQH-CYBMUJFWSA-N 1 3 300.447 0.689 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000331462784 416315791 /nfs/dbraw/zinc/31/57/91/416315791.db2.gz NDPNHWJTJGAFIT-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000359261080 416317315 /nfs/dbraw/zinc/31/73/15/416317315.db2.gz JSJPOPRMVRWDNR-ZIAGYGMSSA-N 1 3 324.469 0.600 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000359261080 416317317 /nfs/dbraw/zinc/31/73/17/416317317.db2.gz JSJPOPRMVRWDNR-ZIAGYGMSSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCNC(C)(C)C2)CCCO1 ZINC000331483896 416319497 /nfs/dbraw/zinc/31/94/97/416319497.db2.gz IWBHCESPINVAIT-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCNC(C)(C)C2)CCCO1 ZINC000331483896 416319498 /nfs/dbraw/zinc/31/94/98/416319498.db2.gz IWBHCESPINVAIT-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246907721 416332413 /nfs/dbraw/zinc/33/24/13/416332413.db2.gz MNGYKUPWUHQPGC-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246907721 416332414 /nfs/dbraw/zinc/33/24/14/416332414.db2.gz MNGYKUPWUHQPGC-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])ccc1CN(C)C ZINC000415467558 416344633 /nfs/dbraw/zinc/34/46/33/416344633.db2.gz VESLQHSZKWPLQB-UHFFFAOYSA-N 1 3 306.410 0.849 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000360184092 416377790 /nfs/dbraw/zinc/37/77/90/416377790.db2.gz IPDWGEQPXMQQBK-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000360184092 416377791 /nfs/dbraw/zinc/37/77/91/416377791.db2.gz IPDWGEQPXMQQBK-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417563662 416383806 /nfs/dbraw/zinc/38/38/06/416383806.db2.gz HRXVYDXQFWYVJJ-RBSFLKMASA-N 1 3 312.458 0.914 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418118837 416385840 /nfs/dbraw/zinc/38/58/40/416385840.db2.gz UKVRKHFJAAELMB-ZIAGYGMSSA-N 1 3 300.447 0.770 20 0 DCADHO C[C@@H]1CN(CCC2CCN(C(=O)NCC[NH3+])CC2)C[C@@H](C)O1 ZINC000418305534 416386205 /nfs/dbraw/zinc/38/62/05/416386205.db2.gz OMUUIZAPVDXFMJ-ZIAGYGMSSA-N 1 3 312.458 0.866 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000418441965 416387335 /nfs/dbraw/zinc/38/73/35/416387335.db2.gz SDWFLHCMLSJGII-ZDUSSCGKSA-N 1 3 300.447 0.650 20 0 DCADHO [NH3+][C@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000418492406 416387674 /nfs/dbraw/zinc/38/76/74/416387674.db2.gz VCCWKWOJKIYWDK-OAHLLOKOSA-N 1 3 310.442 0.478 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419034006 416395566 /nfs/dbraw/zinc/39/55/66/416395566.db2.gz YXFUXZCADJPXTH-XFMPKHEZSA-N 1 3 324.469 0.323 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419414619 416400924 /nfs/dbraw/zinc/40/09/24/416400924.db2.gz UASNGQPZQOJVGF-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](C(=O)NCC(C)CNC(=O)[C@H](CC)N(C)C)N(C)C ZINC000360646296 416401196 /nfs/dbraw/zinc/40/11/96/416401196.db2.gz CNMBGAIBHFZCSP-KBPBESRZSA-N 1 3 314.474 0.535 20 0 DCADHO CC[C@@H](C(=O)NCC(C)CNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000360646296 416401197 /nfs/dbraw/zinc/40/11/97/416401197.db2.gz CNMBGAIBHFZCSP-KBPBESRZSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419433975 416401675 /nfs/dbraw/zinc/40/16/75/416401675.db2.gz ZVYIORCUFAQOCN-ZDUSSCGKSA-N 1 3 318.421 0.014 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419756384 416409060 /nfs/dbraw/zinc/40/90/60/416409060.db2.gz AXXKMVCWHADPFG-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000423241160 416481068 /nfs/dbraw/zinc/48/10/68/416481068.db2.gz UQDXYYFWDBLJFJ-OCCSQVGLSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420326817 416418714 /nfs/dbraw/zinc/41/87/14/416418714.db2.gz XVAJOWJQRUXROT-TUUVXOQKSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420326817 416418715 /nfs/dbraw/zinc/41/87/15/416418715.db2.gz XVAJOWJQRUXROT-TUUVXOQKSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@H]1CC[C@H](C(N)=O)CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420326817 416418717 /nfs/dbraw/zinc/41/87/17/416418717.db2.gz XVAJOWJQRUXROT-TUUVXOQKSA-N 1 3 305.422 0.503 20 0 DCADHO Cn1ncc2c1ncnc2N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000361038193 416419297 /nfs/dbraw/zinc/41/92/97/416419297.db2.gz YYPCYOBIELAJBL-LBPRGKRZSA-N 1 3 315.425 0.944 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000422329960 416426614 /nfs/dbraw/zinc/42/66/14/416426614.db2.gz JLCCQSFXGCXMSG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000422329960 416426615 /nfs/dbraw/zinc/42/66/15/416426615.db2.gz JLCCQSFXGCXMSG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423564882 416523102 /nfs/dbraw/zinc/52/31/02/416523102.db2.gz SIBOOUNQTKYKAP-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423626908 416530069 /nfs/dbraw/zinc/53/00/69/416530069.db2.gz TUDZUMUIWDUDPV-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423626908 416530071 /nfs/dbraw/zinc/53/00/71/416530071.db2.gz TUDZUMUIWDUDPV-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000423694366 416542761 /nfs/dbraw/zinc/54/27/61/416542761.db2.gz ATZCIPFPMDJVQS-ZDUSSCGKSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000536551741 416543355 /nfs/dbraw/zinc/54/33/55/416543355.db2.gz MOHDJNMCTFQGGF-OAGGEKHMSA-N 1 3 308.470 0.423 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000536551741 416543360 /nfs/dbraw/zinc/54/33/60/416543360.db2.gz MOHDJNMCTFQGGF-OAGGEKHMSA-N 1 3 308.470 0.423 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)[C@@H]1C[NH3+] ZINC000423718393 416548149 /nfs/dbraw/zinc/54/81/49/416548149.db2.gz BWMZAMYQJSZOJZ-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@H]1C[NH3+] ZINC000423721859 416548445 /nfs/dbraw/zinc/54/84/45/416548445.db2.gz FNDLJLQEZPYQCY-MCIONIFRSA-N 1 3 310.442 0.125 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000423725407 416549428 /nfs/dbraw/zinc/54/94/28/416549428.db2.gz IVADQYKKTGRKNU-OAHLLOKOSA-N 1 3 318.421 0.233 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1CC[NH2+]1 ZINC000423745824 416555501 /nfs/dbraw/zinc/55/55/01/416555501.db2.gz MYPNTVMUDRKESO-ZIAGYGMSSA-N 1 3 311.426 0.614 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000423750869 416558349 /nfs/dbraw/zinc/55/83/49/416558349.db2.gz AJRITZCVLKOAPD-CQSZACIVSA-N 1 3 311.426 0.520 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCCCC1 ZINC000534996603 416511933 /nfs/dbraw/zinc/51/19/33/416511933.db2.gz LJSBCPINJVQHRG-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423511074 416519491 /nfs/dbraw/zinc/51/94/91/416519491.db2.gz AFMYZWONWCOEIM-CQSZACIVSA-N 1 3 312.458 0.371 20 0 DCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000539812428 416586711 /nfs/dbraw/zinc/58/67/11/416586711.db2.gz BZFNZGRIDUNNJR-BZUAXINKSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000539812428 416586713 /nfs/dbraw/zinc/58/67/13/416586713.db2.gz BZFNZGRIDUNNJR-BZUAXINKSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424137288 416616134 /nfs/dbraw/zinc/61/61/34/416616134.db2.gz RXAMMKIQOAOCLX-UONOGXRCSA-N 1 3 320.441 0.664 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C[C@H]2N)cn1 ZINC000424233552 416631517 /nfs/dbraw/zinc/63/15/17/416631517.db2.gz JCXODTSCFKGIMG-QKPAOTATSA-N 1 3 319.453 0.971 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCN1C ZINC000424464968 416649587 /nfs/dbraw/zinc/64/95/87/416649587.db2.gz REJCMSYKKSIIPM-SPWCGHHHSA-N 1 3 320.441 0.339 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482083 416654564 /nfs/dbraw/zinc/65/45/64/416654564.db2.gz SQFUHUKRCAAPFC-HZSPNIEDSA-N 1 3 308.430 0.374 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000545176443 416664429 /nfs/dbraw/zinc/66/44/29/416664429.db2.gz KOUNXHRZAIWULF-BBRMVZONSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000545176443 416664435 /nfs/dbraw/zinc/66/44/35/416664435.db2.gz KOUNXHRZAIWULF-BBRMVZONSA-N 1 3 310.442 0.369 20 0 DCADHO C[N@H+](C[C@H](O)Cn1cc(CCN2CCCCC2)nn1)C1CC1 ZINC000641224737 416743541 /nfs/dbraw/zinc/74/35/41/416743541.db2.gz OMRJMLYFAXOSOS-INIZCTEOSA-N 1 3 307.442 0.762 20 0 DCADHO C[N@@H+](C[C@H](O)Cn1cc(CCN2CCCCC2)nn1)C1CC1 ZINC000641224737 416743549 /nfs/dbraw/zinc/74/35/49/416743549.db2.gz OMRJMLYFAXOSOS-INIZCTEOSA-N 1 3 307.442 0.762 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000516875447 416751170 /nfs/dbraw/zinc/75/11/70/416751170.db2.gz QNLRHJCHDXEDES-IAGOWNOFSA-N 1 3 312.502 0.399 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000516875447 416751173 /nfs/dbraw/zinc/75/11/73/416751173.db2.gz QNLRHJCHDXEDES-IAGOWNOFSA-N 1 3 312.502 0.399 20 0 DCADHO CS[C@H]1CC[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000425341777 416696271 /nfs/dbraw/zinc/69/62/71/416696271.db2.gz GGBRVKMHYPXLBD-CABCVRRESA-N 1 3 301.500 0.860 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000557315949 416731703 /nfs/dbraw/zinc/73/17/03/416731703.db2.gz PTJXDRPCDLOVGT-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000636614249 416795906 /nfs/dbraw/zinc/79/59/06/416795906.db2.gz ZHBQBXLQYLLRPQ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)CCCN3CCCC3)C[C@H]21 ZINC000631930841 416811582 /nfs/dbraw/zinc/81/15/82/416811582.db2.gz ALBIRRNCSVDEAY-RRFJBIMHSA-N 1 3 315.483 0.861 20 0 DCADHO COc1cc(CNC(=O)[C@H]2CC[NH2+]2)ccc1OCCN(C)C ZINC000444178783 416813157 /nfs/dbraw/zinc/81/31/57/416813157.db2.gz XQDRNJMXKZFBKJ-CYBMUJFWSA-N 1 3 307.394 0.614 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)[C@@H]2C1 ZINC000518766553 416874701 /nfs/dbraw/zinc/87/47/01/416874701.db2.gz LPEUJQOHAKQMQP-VNQPRFMTSA-N 1 3 317.437 0.974 20 0 DCADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CC[NH2+]1 ZINC000444270891 416825502 /nfs/dbraw/zinc/82/55/02/416825502.db2.gz QRJVJWKNPQMEPJ-MRXNPFEDSA-N 1 3 303.406 0.621 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N(C)CCC[NH3+])c1 ZINC000565251597 416959883 /nfs/dbraw/zinc/95/98/83/416959883.db2.gz UBFNTXTWJWSOAJ-UHFFFAOYSA-N 1 3 322.409 0.373 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000519290106 416898203 /nfs/dbraw/zinc/89/82/03/416898203.db2.gz AWQQQDIBXGFKDW-IAGOWNOFSA-N 1 3 313.486 0.876 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000564979701 416901305 /nfs/dbraw/zinc/90/13/05/416901305.db2.gz MITWEBXIVMTHAW-QWHCGFSZSA-N 1 3 300.447 0.275 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(=O)NC)CC2)CC1 ZINC000565176506 416936004 /nfs/dbraw/zinc/93/60/04/416936004.db2.gz DPEVWAZOXTYSMV-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624023403 416943306 /nfs/dbraw/zinc/94/33/06/416943306.db2.gz YJNPFRZODXYIFX-YPMHNXCESA-N 1 3 313.409 0.441 20 0 DCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624023403 416943318 /nfs/dbraw/zinc/94/33/18/416943318.db2.gz YJNPFRZODXYIFX-YPMHNXCESA-N 1 3 313.409 0.441 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000376165888 417020335 /nfs/dbraw/zinc/02/03/35/417020335.db2.gz JIPGTMIZTJOZPS-HUUCEWRRSA-N 1 3 312.458 0.690 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000376165888 417020341 /nfs/dbraw/zinc/02/03/41/417020341.db2.gz JIPGTMIZTJOZPS-HUUCEWRRSA-N 1 3 312.458 0.690 20 0 DCADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCCC1)Nc1cccnc1 ZINC000565893288 417029069 /nfs/dbraw/zinc/02/90/69/417029069.db2.gz ZLFVVACARUXIAU-OAHLLOKOSA-N 1 3 306.410 0.847 20 0 DCADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000376532091 417033227 /nfs/dbraw/zinc/03/32/27/417033227.db2.gz QWJOTJPLWWBMHP-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000376532091 417033232 /nfs/dbraw/zinc/03/32/32/417033232.db2.gz QWJOTJPLWWBMHP-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000520771974 416975021 /nfs/dbraw/zinc/97/50/21/416975021.db2.gz LGIOINQCVWSQIG-GJZGRUSLSA-N 1 3 309.458 0.206 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000565479234 416983130 /nfs/dbraw/zinc/98/31/30/416983130.db2.gz QSAMLXKJSWSHCR-ZIAGYGMSSA-N 1 3 312.458 0.866 20 0 DCADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637103734 416988211 /nfs/dbraw/zinc/98/82/11/416988211.db2.gz ONNCMCJSIFLVSA-KGLIPLIRSA-N 1 3 312.458 0.473 20 0 DCADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637103734 416988223 /nfs/dbraw/zinc/98/82/23/416988223.db2.gz ONNCMCJSIFLVSA-KGLIPLIRSA-N 1 3 312.458 0.473 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000565538210 416990828 /nfs/dbraw/zinc/99/08/28/416990828.db2.gz QBQVPRUKYFXJTA-HOTGVXAUSA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431022756 417100552 /nfs/dbraw/zinc/10/05/52/417100552.db2.gz IXBUXHBNVNQKHD-ZDUSSCGKSA-N 1 3 310.442 0.932 20 0 DCADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)NC(=O)NCC(F)(F)F ZINC000430546021 417042556 /nfs/dbraw/zinc/04/25/56/417042556.db2.gz CGRLJWMGFCRDAZ-NSHDSACASA-N 1 3 312.336 0.728 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000637257794 417051944 /nfs/dbraw/zinc/05/19/44/417051944.db2.gz AKNFZSYIQBBYDJ-ILXRZTDVSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000637257794 417051952 /nfs/dbraw/zinc/05/19/52/417051952.db2.gz AKNFZSYIQBBYDJ-ILXRZTDVSA-N 1 3 310.442 0.369 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000642439767 417052026 /nfs/dbraw/zinc/05/20/26/417052026.db2.gz OMRUBWVIMZJTBD-MJBXVCDLSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642439647 417052109 /nfs/dbraw/zinc/05/21/09/417052109.db2.gz MVCHWGVVBJHDKN-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000642439943 417054329 /nfs/dbraw/zinc/05/43/29/417054329.db2.gz SLCTVMPTSVYALG-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642440171 417055333 /nfs/dbraw/zinc/05/53/33/417055333.db2.gz XSMSABYKYFDXNH-ZNMIVQPWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N1CCC(C)CC1 ZINC000642644532 417065426 /nfs/dbraw/zinc/06/54/26/417065426.db2.gz ZHKXHILVKXPOTK-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000642785707 417095853 /nfs/dbraw/zinc/09/58/53/417095853.db2.gz DUGQXFBDBCOSJX-IUODEOHRSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH2+]C[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430630353 287348410 /nfs/dbraw/zinc/34/84/10/287348410.db2.gz RXVJWFXWRIVYIK-CQSZACIVSA-N 1 3 308.470 0.661 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000340214634 287348650 /nfs/dbraw/zinc/34/86/50/287348650.db2.gz LJRLFTSDZTXKKL-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000642907115 417117577 /nfs/dbraw/zinc/11/75/77/417117577.db2.gz SPBBYEGDQLQCFG-UHFFFAOYSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000568294550 417122170 /nfs/dbraw/zinc/12/21/70/417122170.db2.gz VFZCLDSJFLRQAI-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000642921182 417127218 /nfs/dbraw/zinc/12/72/18/417127218.db2.gz GAHIWVFPNOSHKU-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449320810 417140151 /nfs/dbraw/zinc/14/01/51/417140151.db2.gz PWWOFWSQVHKBHU-ZIAGYGMSSA-N 1 3 320.441 0.634 20 0 DCADHO Cc1nn(C)cc1[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525438666 417140277 /nfs/dbraw/zinc/14/02/77/417140277.db2.gz KHUFIARJEAZOKV-CYBMUJFWSA-N 1 3 324.473 0.924 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ncn(C(C)(C)C)n1 ZINC000568578088 417151328 /nfs/dbraw/zinc/15/13/28/417151328.db2.gz ULNSHSWNERCNBK-UHFFFAOYSA-N 1 3 310.446 0.599 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000632544843 417151883 /nfs/dbraw/zinc/15/18/83/417151883.db2.gz OFDFWOPFMXSKOK-ZDUSSCGKSA-N 1 3 305.488 0.978 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000632544843 417151889 /nfs/dbraw/zinc/15/18/89/417151889.db2.gz OFDFWOPFMXSKOK-ZDUSSCGKSA-N 1 3 305.488 0.978 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000568746337 417171183 /nfs/dbraw/zinc/17/11/83/417171183.db2.gz PNOXOQZBSFODJC-OAHLLOKOSA-N 1 3 308.470 0.472 20 0 DCADHO CCN1CCC(NC(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)CC1 ZINC000411769057 417198627 /nfs/dbraw/zinc/19/86/27/417198627.db2.gz HNIQMVJFORRWIL-MRXNPFEDSA-N 1 3 311.470 0.974 20 0 DCADHO CN(C)[C@]1(CNC(=O)N(C)CCOCC[NH3+])CCSC1 ZINC000626993230 417199101 /nfs/dbraw/zinc/19/91/01/417199101.db2.gz RLMSYEIUKLPKOC-ZDUSSCGKSA-N 1 3 304.460 0.040 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637833470 417202893 /nfs/dbraw/zinc/20/28/93/417202893.db2.gz SQXMQBVDAJTCMQ-GDBMZVCRSA-N 1 3 304.438 0.562 20 0 DCADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000627009436 417206614 /nfs/dbraw/zinc/20/66/14/417206614.db2.gz QSQCPLVFYJJPSY-CQSZACIVSA-N 1 3 303.410 0.959 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637844932 417206963 /nfs/dbraw/zinc/20/69/63/417206963.db2.gz SSLKXQCGRCWAIP-HOTGVXAUSA-N 1 3 306.454 0.935 20 0 DCADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000627023108 417213578 /nfs/dbraw/zinc/21/35/78/417213578.db2.gz LMUVANSNBVMJAF-CYBMUJFWSA-N 1 3 300.447 0.724 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643468722 417216463 /nfs/dbraw/zinc/21/64/63/417216463.db2.gz KWYAAUMLYLUCBD-ZNMIVQPWSA-N 1 3 315.483 0.922 20 0 DCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000643494611 417224992 /nfs/dbraw/zinc/22/49/92/417224992.db2.gz MUNRQRSXFWFVDP-CABCVRRESA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000638043096 417293682 /nfs/dbraw/zinc/29/36/82/417293682.db2.gz OJSVYXYVKGXIQL-LSDHHAIUSA-N 1 3 311.474 0.391 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000643526293 417236586 /nfs/dbraw/zinc/23/65/86/417236586.db2.gz XSWLZKZVRDPJMN-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO [NH3+]C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000627112812 417238104 /nfs/dbraw/zinc/23/81/04/417238104.db2.gz OSSQONLRHSQQFO-ZIAGYGMSSA-N 1 3 310.442 0.810 20 0 DCADHO C[C@@H]1C[C@H](CN2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]1 ZINC000414674206 417296168 /nfs/dbraw/zinc/29/61/68/417296168.db2.gz KKLOUVHATOODSM-ZIAGYGMSSA-N 1 3 317.437 0.691 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638142529 417351932 /nfs/dbraw/zinc/35/19/32/417351932.db2.gz RRRALXHUHITVDK-DLBZAZTESA-N 1 3 316.449 0.799 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000569826471 417299985 /nfs/dbraw/zinc/29/99/85/417299985.db2.gz XWNMLAAKQVHXAU-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CCc1ccc([C@@H](CNC(=O)CN2CC[NH2+]CC2)N(C)C)cc1 ZINC000638050511 417300239 /nfs/dbraw/zinc/30/02/39/417300239.db2.gz OWZGUALHSJRVSY-QGZVFWFLSA-N 1 3 318.465 0.873 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)NC[C@@H]3CNCCO3)cn2)CC1 ZINC000632960231 417303141 /nfs/dbraw/zinc/30/31/41/417303141.db2.gz CSDZDKSHXCTFQC-AWEZNQCLSA-N 1 3 322.413 0.260 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414842817 417305493 /nfs/dbraw/zinc/30/54/93/417305493.db2.gz MZFJSVXSJWDFAJ-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN(C)C2CC2)c1 ZINC000414874320 417309591 /nfs/dbraw/zinc/30/95/91/417309591.db2.gz HPEWLSPJGYPEER-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638073736 417310264 /nfs/dbraw/zinc/31/02/64/417310264.db2.gz XAQMNMXJWASZHA-DLBZAZTESA-N 1 3 318.465 0.904 20 0 DCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638073736 417310269 /nfs/dbraw/zinc/31/02/69/417310269.db2.gz XAQMNMXJWASZHA-DLBZAZTESA-N 1 3 318.465 0.904 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN(C)CC)c1 ZINC000414889607 417314681 /nfs/dbraw/zinc/31/46/81/417314681.db2.gz YRQPEIBVJVATSI-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638084355 417318712 /nfs/dbraw/zinc/31/87/12/417318712.db2.gz KDWMCVPWOHTQKK-GDBMZVCRSA-N 1 3 306.454 0.902 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000638129225 417345108 /nfs/dbraw/zinc/34/51/08/417345108.db2.gz XEBKBNQRWDATBA-DRPJVOAASA-N 1 3 303.406 0.882 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NCC1CCN(c2ccncc2)CC1 ZINC000638289063 417408952 /nfs/dbraw/zinc/40/89/52/417408952.db2.gz ISXFFROQKNAGOQ-UHFFFAOYSA-N 1 3 317.437 0.319 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364295 417432739 /nfs/dbraw/zinc/43/27/39/417432739.db2.gz FWCBCXZLWUGYLU-BZUAXINKSA-N 1 3 304.438 0.832 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638176619 417366712 /nfs/dbraw/zinc/36/67/12/417366712.db2.gz DWPNLZHPDURDOF-KBPBESRZSA-N 1 3 301.431 0.086 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638177018 417367824 /nfs/dbraw/zinc/36/78/24/417367824.db2.gz HFMZYWSGIFQTCN-BMFZPTHFSA-N 1 3 304.438 0.560 20 0 DCADHO CN1C(=O)CC[C@H](NCc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000643802171 417373464 /nfs/dbraw/zinc/37/34/64/417373464.db2.gz VNQCDQRGGJOAPB-HNNXBMFYSA-N 1 3 319.405 0.864 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622029177 417373595 /nfs/dbraw/zinc/37/35/95/417373595.db2.gz BBULKPUHZUDDDL-KEYYUXOJSA-N 1 3 322.453 0.267 20 0 DCADHO NC(C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C(F)(F)F ZINC000638560292 417488736 /nfs/dbraw/zinc/48/87/36/417488736.db2.gz SFYWAGUBLZXNFN-DSYKOEDSSA-N 1 3 307.238 0.862 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529353007 417446551 /nfs/dbraw/zinc/44/65/51/417446551.db2.gz UXFJHLFYSGOGSE-MGPQQGTHSA-N 1 3 310.442 0.368 20 0 DCADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000644149176 417482838 /nfs/dbraw/zinc/48/28/38/417482838.db2.gz FYJRRAIUAJVFEV-GXTWGEPZSA-N 1 3 306.414 0.183 20 0 DCADHO CC[C@@H](NCC1CN(S(=O)(=O)CC)C1)[C@H]1CCCC[NH2+]1 ZINC000575373831 417530308 /nfs/dbraw/zinc/53/03/08/417530308.db2.gz HJTUAJYUAHYJLS-ZIAGYGMSSA-N 1 3 303.472 0.778 20 0 DCADHO CC[C@@H](NCC1CN(S(=O)(=O)CC)C1)[C@@H]1CCCC[NH2+]1 ZINC000575373829 417530376 /nfs/dbraw/zinc/53/03/76/417530376.db2.gz HJTUAJYUAHYJLS-KGLIPLIRSA-N 1 3 303.472 0.778 20 0 DCADHO CN(C)C[C@@H](CO)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634723041 417538330 /nfs/dbraw/zinc/53/83/30/417538330.db2.gz ZEIMOUCGHGVMKP-IRXDYDNUSA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)C[C@@H](CO)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634723041 417538334 /nfs/dbraw/zinc/53/83/34/417538334.db2.gz ZEIMOUCGHGVMKP-IRXDYDNUSA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)C[C@@H](CO)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634723041 417538337 /nfs/dbraw/zinc/53/83/37/417538337.db2.gz ZEIMOUCGHGVMKP-IRXDYDNUSA-N 1 3 307.438 0.136 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](Cc3ccccc3-n3cncn3)C2)nn1 ZINC000635000094 417555784 /nfs/dbraw/zinc/55/57/84/417555784.db2.gz GWOQWCYKSBMFSF-OAHLLOKOSA-N 1 3 324.392 0.765 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](Cc3ccccc3-n3cncn3)C2)nn1 ZINC000635000094 417555788 /nfs/dbraw/zinc/55/57/88/417555788.db2.gz GWOQWCYKSBMFSF-OAHLLOKOSA-N 1 3 324.392 0.765 20 0 DCADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000638983727 417597338 /nfs/dbraw/zinc/59/73/38/417597338.db2.gz NPAJQNWSYVOXSR-CHWSQXEVSA-N 1 3 312.377 0.957 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638985631 417597730 /nfs/dbraw/zinc/59/77/30/417597730.db2.gz MLWDWXSWSVDWHV-LSDHHAIUSA-N 1 3 315.421 0.960 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638985725 417598592 /nfs/dbraw/zinc/59/85/92/417598592.db2.gz NBZTUSRKLAEZRR-TZMCWYRMSA-N 1 3 303.410 0.818 20 0 DCADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3(C)C)C2)CC1 ZINC000644536918 417616170 /nfs/dbraw/zinc/61/61/70/417616170.db2.gz AKNJOQHVVQQDCZ-DZGCQCFKSA-N 1 3 308.470 0.802 20 0 DCADHO CO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000531240142 417610056 /nfs/dbraw/zinc/61/00/56/417610056.db2.gz ICBDYJXPNIWPGD-KGLIPLIRSA-N 1 3 314.474 0.935 20 0 DCADHO CN1C[C@H](NC[C@@H](O)C[N@H+](C)Cc2ccccc2)CCC1=O ZINC000644571511 417620878 /nfs/dbraw/zinc/62/08/78/417620878.db2.gz AVABBGNHMIJDKQ-HZPDHXFCSA-N 1 3 305.422 0.690 20 0 DCADHO CN1C[C@H](NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCC1=O ZINC000644571511 417620882 /nfs/dbraw/zinc/62/08/82/417620882.db2.gz AVABBGNHMIJDKQ-HZPDHXFCSA-N 1 3 305.422 0.690 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000644562163 417618896 /nfs/dbraw/zinc/61/88/96/417618896.db2.gz ZUWXJBHJLZLVJX-QWHCGFSZSA-N 1 3 303.472 0.178 20 0 DCADHO CC(C)(C)[C@@H](O)C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000644601997 417629000 /nfs/dbraw/zinc/62/90/00/417629000.db2.gz ANDOKKMYZKSBJI-HNNXBMFYSA-N 1 3 301.475 0.373 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1=O ZINC000628746318 417685090 /nfs/dbraw/zinc/68/50/90/417685090.db2.gz BFCOFCGEIAHUHN-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1=O ZINC000628746318 417685099 /nfs/dbraw/zinc/68/50/99/417685099.db2.gz BFCOFCGEIAHUHN-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CC(=O)Nc1nc(N2CCNCC2)n[nH]1)C1CC[NH2+]CC1 ZINC000580429405 417701511 /nfs/dbraw/zinc/70/15/11/417701511.db2.gz CJDQPRMVXQUWLN-NSHDSACASA-N 1 3 321.429 0.179 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645208874 417713560 /nfs/dbraw/zinc/71/35/60/417713560.db2.gz NZDDIKTZBJYVEU-CYBMUJFWSA-N 1 3 313.446 0.088 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645208874 417713562 /nfs/dbraw/zinc/71/35/62/417713562.db2.gz NZDDIKTZBJYVEU-CYBMUJFWSA-N 1 3 313.446 0.088 20 0 DCADHO O=C(CNC[C@H]1CCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645222271 417714047 /nfs/dbraw/zinc/71/40/47/417714047.db2.gz WJESIRFUYOYKCZ-OAHLLOKOSA-N 1 3 304.394 0.499 20 0 DCADHO COCC1(C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000645220908 417714179 /nfs/dbraw/zinc/71/41/79/417714179.db2.gz ASPNYXFIXZUDJY-UHFFFAOYSA-N 1 3 318.421 0.746 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458100643 417721904 /nfs/dbraw/zinc/72/19/04/417721904.db2.gz VFXWHBMDYCNRMH-UONOGXRCSA-N 1 3 300.447 0.473 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000458242900 417729934 /nfs/dbraw/zinc/72/99/34/417729934.db2.gz RIJUMYWWABSQDH-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000458242900 417729937 /nfs/dbraw/zinc/72/99/37/417729937.db2.gz RIJUMYWWABSQDH-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645953236 417830960 /nfs/dbraw/zinc/83/09/60/417830960.db2.gz KKUVJWYEYQOGPP-ZIAGYGMSSA-N 1 3 318.425 0.244 20 0 DCADHO Cc1c(C(=O)N2CCN[C@@H](C(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000646327736 417834143 /nfs/dbraw/zinc/83/41/43/417834143.db2.gz RZANSHVTQQPTTG-CQSZACIVSA-N 1 3 320.441 0.581 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000636008362 417834834 /nfs/dbraw/zinc/83/48/34/417834834.db2.gz OWAZSYZWZLPNBL-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000636008362 417834840 /nfs/dbraw/zinc/83/48/40/417834840.db2.gz OWAZSYZWZLPNBL-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)(N)c1cc(C(=O)NCCC[NH+]2CCC(O)CC2)on1 ZINC000662680825 417849273 /nfs/dbraw/zinc/84/92/73/417849273.db2.gz LLKMSTDMSLELSV-UHFFFAOYSA-N 1 3 310.398 0.445 20 0 DCADHO C[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[NH+]1CCCCCC1 ZINC000646461326 417851417 /nfs/dbraw/zinc/85/14/17/417851417.db2.gz UIRFMBWMRQSVJQ-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO COCCN(C)CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652145115 417851416 /nfs/dbraw/zinc/85/14/16/417851416.db2.gz DEEXNPXCXLUHJV-UHFFFAOYSA-N 1 3 312.389 0.662 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000636088106 417867339 /nfs/dbraw/zinc/86/73/39/417867339.db2.gz FYVYSXHPNOOURM-CABCVRRESA-N 1 3 310.486 0.859 20 0 DCADHO CCN(CCO)CCNC(=O)NCc1ccccc1C[NH2+]C ZINC000652288474 417879803 /nfs/dbraw/zinc/87/98/03/417879803.db2.gz KUYYBVNWACMMPJ-UHFFFAOYSA-N 1 3 308.426 0.519 20 0 DCADHO C[C@@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC[NH2+]CC1 ZINC000662748594 417884685 /nfs/dbraw/zinc/88/46/85/417884685.db2.gz BWGBBKFHGRBNMJ-JTQLQIEISA-N 1 3 307.398 0.283 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)C2(NC3CC3)CCC2)CC1 ZINC000662748709 417885237 /nfs/dbraw/zinc/88/52/37/417885237.db2.gz ZXFVMDPIGZTDMZ-UHFFFAOYSA-N 1 3 308.470 0.803 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000662673269 417845747 /nfs/dbraw/zinc/84/57/47/417845747.db2.gz IWDWKQQUVCGQMB-GJZGRUSLSA-N 1 3 307.394 0.929 20 0 DCADHO N[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C[C@H]1c1ccccc1F ZINC000662814680 417914536 /nfs/dbraw/zinc/91/45/36/417914536.db2.gz FXRHZWKYTDLCGA-DDHJSBNISA-N 1 3 307.369 0.443 20 0 DCADHO CC[C@@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663019788 417978660 /nfs/dbraw/zinc/97/86/60/417978660.db2.gz VCTUTNMSZDYMAX-CHWSQXEVSA-N 1 3 320.441 0.263 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860483 417930989 /nfs/dbraw/zinc/93/09/89/417930989.db2.gz SARRGTBTYJPWIV-HZPDHXFCSA-N 1 3 317.433 0.867 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622312 417933613 /nfs/dbraw/zinc/93/36/13/417933613.db2.gz GEGJZIWJDPSERT-GFCCVEGCSA-N 1 3 324.429 0.017 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCCCC1 ZINC000652666449 417938714 /nfs/dbraw/zinc/93/87/14/417938714.db2.gz HVNXCEMAAJJWSP-UHFFFAOYSA-N 1 3 324.469 0.612 20 0 DCADHO CN(C(=O)c1cnccc1N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901011 417943390 /nfs/dbraw/zinc/94/33/90/417943390.db2.gz RKQPRXPGCNTDSH-AWEZNQCLSA-N 1 3 317.437 0.735 20 0 DCADHO CN(C(=O)c1cnccc1N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901011 417943392 /nfs/dbraw/zinc/94/33/92/417943392.db2.gz RKQPRXPGCNTDSH-AWEZNQCLSA-N 1 3 317.437 0.735 20 0 DCADHO CN(C(=O)c1cnccc1N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901011 417943396 /nfs/dbraw/zinc/94/33/96/417943396.db2.gz RKQPRXPGCNTDSH-AWEZNQCLSA-N 1 3 317.437 0.735 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652686739 417943836 /nfs/dbraw/zinc/94/38/36/417943836.db2.gz ODUNEESQYYDVSG-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662938856 417956742 /nfs/dbraw/zinc/95/67/42/417956742.db2.gz IWKGDKFRLITPPA-TUBUQKNSSA-N 1 3 322.453 0.126 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662938856 417956744 /nfs/dbraw/zinc/95/67/44/417956744.db2.gz IWKGDKFRLITPPA-TUBUQKNSSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652731259 417958567 /nfs/dbraw/zinc/95/85/67/417958567.db2.gz FXKDRCFPDFPLHQ-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO Cc1cn[nH]c1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000647508945 418016557 /nfs/dbraw/zinc/01/65/57/418016557.db2.gz AOLPGJXZHLRABN-UONOGXRCSA-N 1 3 305.426 0.798 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653115169 418029236 /nfs/dbraw/zinc/02/92/36/418029236.db2.gz FXPLRBGDWNDRPA-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000647593429 418030269 /nfs/dbraw/zinc/03/02/69/418030269.db2.gz OZMFJUKVUHIVBY-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C2)nn1 ZINC000653163837 418040765 /nfs/dbraw/zinc/04/07/65/418040765.db2.gz WCXBARHQLCBSBS-FPMFFAJLSA-N 1 3 306.414 0.418 20 0 DCADHO C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663641992 418042340 /nfs/dbraw/zinc/04/23/40/418042340.db2.gz NJPXNFMJXHVJIS-GJZGRUSLSA-N 1 3 324.473 0.843 20 0 DCADHO C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663641992 418042342 /nfs/dbraw/zinc/04/23/42/418042342.db2.gz NJPXNFMJXHVJIS-GJZGRUSLSA-N 1 3 324.473 0.843 20 0 DCADHO O=C(Nc1ccc2c(c1)CNC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000647076383 417981828 /nfs/dbraw/zinc/98/18/28/417981828.db2.gz FOCOAPHPBOAQGO-AWEZNQCLSA-N 1 3 312.377 0.886 20 0 DCADHO [NH3+]C1CCC(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000659519658 418110863 /nfs/dbraw/zinc/11/08/63/418110863.db2.gz USIDSUVZLGDEOQ-SSDMNJCBSA-N 1 3 310.442 0.809 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659538192 418114119 /nfs/dbraw/zinc/11/41/19/418114119.db2.gz OAIBKQROPFONTF-DOMZBBRYSA-N 1 3 306.410 0.400 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000663773552 418055527 /nfs/dbraw/zinc/05/55/27/418055527.db2.gz GIJONTULEAGSLR-LSDHHAIUSA-N 1 3 313.490 0.652 20 0 DCADHO CCN1C(=O)[C@@H]2CN(CCCC3CC[NH2+]CC3)CCN2C1=O ZINC000647891521 418071452 /nfs/dbraw/zinc/07/14/52/418071452.db2.gz LJYZHIKZSUQQRN-AWEZNQCLSA-N 1 3 308.426 0.735 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000647965766 418080062 /nfs/dbraw/zinc/08/00/62/418080062.db2.gz KYZOVJBHQHHCQI-IKGGRYGDSA-N 1 3 313.486 0.873 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000647965766 418080065 /nfs/dbraw/zinc/08/00/65/418080065.db2.gz KYZOVJBHQHHCQI-IKGGRYGDSA-N 1 3 313.486 0.873 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659556070 418118852 /nfs/dbraw/zinc/11/88/52/418118852.db2.gz VRFDGMKBGFFSQB-GJZGRUSLSA-N 1 3 310.442 0.396 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000648106713 418099546 /nfs/dbraw/zinc/09/95/46/418099546.db2.gz PLMNXPWJMLVRTB-VGPLMAKISA-N 1 3 314.389 0.481 20 0 DCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659494114 418104186 /nfs/dbraw/zinc/10/41/86/418104186.db2.gz OQJCXTNIUMLFMC-NSHDSACASA-N 1 3 324.429 0.561 20 0 DCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659494114 418104189 /nfs/dbraw/zinc/10/41/89/418104189.db2.gz OQJCXTNIUMLFMC-NSHDSACASA-N 1 3 324.429 0.561 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N(C)CCC[NH3+] ZINC000659493031 418104758 /nfs/dbraw/zinc/10/47/58/418104758.db2.gz NOJDYPLGITVNBO-UHFFFAOYSA-N 1 3 309.414 0.512 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000659606707 418124075 /nfs/dbraw/zinc/12/40/75/418124075.db2.gz SYNXRBCKCIQUIP-SOUVJXGZSA-N 1 3 312.458 0.864 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659608143 418125701 /nfs/dbraw/zinc/12/57/01/418125701.db2.gz LETWNDJVMSSXKZ-GJZGRUSLSA-N 1 3 310.442 0.633 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000659609162 418125998 /nfs/dbraw/zinc/12/59/98/418125998.db2.gz ICDULRGEEHAWOT-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000659611658 418126641 /nfs/dbraw/zinc/12/66/41/418126641.db2.gz STRNIDWUWDAAAC-CABCVRRESA-N 1 3 324.469 0.868 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N1CCC(C)CC1 ZINC000659688744 418147532 /nfs/dbraw/zinc/14/75/32/418147532.db2.gz IZYZPCNZZMMOJC-TUBUQKNSSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCC(C)CC1 ZINC000659688556 418147904 /nfs/dbraw/zinc/14/79/04/418147904.db2.gz AQULAUVMGMSUMG-TUBUQKNSSA-N 1 3 322.453 0.091 20 0 DCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000664723839 418148848 /nfs/dbraw/zinc/14/88/48/418148848.db2.gz DFTYZSREYXBIOD-UHFFFAOYSA-N 1 3 323.437 0.222 20 0 DCADHO C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000654482660 418150090 /nfs/dbraw/zinc/15/00/90/418150090.db2.gz UUMCSKLPWFCGOY-HZSPNIEDSA-N 1 3 312.458 0.423 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000659712513 418157023 /nfs/dbraw/zinc/15/70/23/418157023.db2.gz FVMAZWNUHLZWDZ-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cn[nH]c1 ZINC000664922495 418161279 /nfs/dbraw/zinc/16/12/79/418161279.db2.gz PPUCWZSECGZQMF-ZDUSSCGKSA-N 1 3 310.446 0.523 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cn[nH]c1 ZINC000664922495 418161282 /nfs/dbraw/zinc/16/12/82/418161282.db2.gz PPUCWZSECGZQMF-ZDUSSCGKSA-N 1 3 310.446 0.523 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659722784 418162751 /nfs/dbraw/zinc/16/27/51/418162751.db2.gz PCFADCMUZKQRBI-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659723643 418163452 /nfs/dbraw/zinc/16/34/52/418163452.db2.gz QNTKTOIJQWMYLL-ZDUSSCGKSA-N 1 3 308.426 0.011 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000659725963 418164520 /nfs/dbraw/zinc/16/45/20/418164520.db2.gz FOTKWICEHNXEDG-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000659726021 418165319 /nfs/dbraw/zinc/16/53/19/418165319.db2.gz HHQVORRBVCEPES-ILXRZTDVSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659733116 418168193 /nfs/dbraw/zinc/16/81/93/418168193.db2.gz VKHYNSOJKIZCBW-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C[C@H]1[NH3+] ZINC000659734791 418168480 /nfs/dbraw/zinc/16/84/80/418168480.db2.gz CCSJYNBILXDFMJ-UMVBOHGHSA-N 1 3 322.453 0.315 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C1 ZINC000659739453 418171830 /nfs/dbraw/zinc/17/18/30/418171830.db2.gz USRLQNIHNXRFNC-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000659741017 418172209 /nfs/dbraw/zinc/17/22/09/418172209.db2.gz JBJYFIUOWOBDNF-BFHYXJOUSA-N 1 3 312.458 0.275 20 0 DCADHO Cc1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n(C2CCN(C)CC2)n1 ZINC000649339320 418243076 /nfs/dbraw/zinc/24/30/76/418243076.db2.gz MIQJZYZITXKSPQ-NHAGDIPZSA-N 1 3 303.410 0.862 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)c2ccccc2O1 ZINC000649347054 418245180 /nfs/dbraw/zinc/24/51/80/418245180.db2.gz CUPXCLAQQVXZGO-KBPBESRZSA-N 1 3 319.405 0.721 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000654773890 418186206 /nfs/dbraw/zinc/18/62/06/418186206.db2.gz LVYVVWYQTFMOOQ-DOTOQJQBSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000654773890 418186209 /nfs/dbraw/zinc/18/62/09/418186209.db2.gz LVYVVWYQTFMOOQ-DOTOQJQBSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CC1 ZINC000649068219 418188429 /nfs/dbraw/zinc/18/84/29/418188429.db2.gz BLNOWSYZANMGLL-CQSZACIVSA-N 1 3 324.469 0.685 20 0 DCADHO O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)NC1CCN(C2CC2)CC1 ZINC000649419123 418253749 /nfs/dbraw/zinc/25/37/49/418253749.db2.gz GENVFFWAIMQHKM-CZUORRHYSA-N 1 3 306.454 0.413 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c2ncnn21 ZINC000665602384 418225938 /nfs/dbraw/zinc/22/59/38/418225938.db2.gz PFCXMHLECWUJEW-QWHCGFSZSA-N 1 3 323.445 0.419 20 0 DCADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649299253 418228542 /nfs/dbraw/zinc/22/85/42/418228542.db2.gz CAELTJBHGOXZGB-WDNDVIMCSA-N 1 3 309.479 0.930 20 0 DCADHO O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000649419122 418254152 /nfs/dbraw/zinc/25/41/52/418254152.db2.gz GENVFFWAIMQHKM-CJNGLKHVSA-N 1 3 306.454 0.413 20 0 DCADHO COCCN(C)CCNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000650825175 418326822 /nfs/dbraw/zinc/32/68/22/418326822.db2.gz MOJRHELNQQJWRM-UHFFFAOYSA-N 1 3 300.447 0.692 20 0 DCADHO C[NH+]1CCC(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000660822252 418292154 /nfs/dbraw/zinc/29/21/54/418292154.db2.gz OFURKAIYUJBZCO-HNNXBMFYSA-N 1 3 310.442 0.633 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022179 418318690 /nfs/dbraw/zinc/31/86/90/418318690.db2.gz UIAHCRHUHOTMLU-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656025581 418320105 /nfs/dbraw/zinc/32/01/05/418320105.db2.gz NVNRHDRZAKYEHJ-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO CC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028991 418321697 /nfs/dbraw/zinc/32/16/97/418321697.db2.gz TUUTUEZQXBGVCG-KBPBESRZSA-N 1 3 322.453 0.459 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660584304 418271271 /nfs/dbraw/zinc/27/12/71/418271271.db2.gz JXZMRUIZMCZVCB-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660584304 418271274 /nfs/dbraw/zinc/27/12/74/418271274.db2.gz JXZMRUIZMCZVCB-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO NC[C@@H](NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)C(F)(F)F ZINC000655515179 418271566 /nfs/dbraw/zinc/27/15/66/418271566.db2.gz IRIQAZZWPCKTFJ-DGCLKSJQSA-N 1 3 301.312 0.924 20 0 DCADHO NC(=O)CNC(=O)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656197516 418335345 /nfs/dbraw/zinc/33/53/45/418335345.db2.gz PJHGRPXHCUYJTK-ZIAGYGMSSA-N 1 3 304.394 0.261 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N(C)C1CC1 ZINC000656309708 418344378 /nfs/dbraw/zinc/34/43/78/418344378.db2.gz PDQJFHVMXIQCDD-SGMGOOAPSA-N 1 3 310.442 0.042 20 0 DCADHO [NH3+][C@H](CO)Cc1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656456197 418355201 /nfs/dbraw/zinc/35/52/01/418355201.db2.gz TXLQXDCRGAEVDR-GOEBONIOSA-N 1 3 301.394 0.587 20 0 DCADHO C[C@@H]1CCCN(CC(=O)NCC(=O)N2CCCC2)[C@@H]1CCC[NH3+] ZINC000662315155 418400295 /nfs/dbraw/zinc/40/02/95/418400295.db2.gz RERLLOKUWMHVEV-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354671417 261254985 /nfs/dbraw/zinc/25/49/85/261254985.db2.gz JQPPQHUREPPCNK-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO COCCN(C)CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362553642 262046156 /nfs/dbraw/zinc/04/61/56/262046156.db2.gz PAUPVZZURJHVKC-GFCCVEGCSA-N 1 3 309.414 0.185 20 0 DCADHO CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000362565830 262047228 /nfs/dbraw/zinc/04/72/28/262047228.db2.gz CZGRHTQUHAJONU-YPMHNXCESA-N 1 3 303.410 0.795 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362755130 262068340 /nfs/dbraw/zinc/06/83/40/262068340.db2.gz FENCPRRPZVZHHT-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362755130 262068342 /nfs/dbraw/zinc/06/83/42/262068342.db2.gz FENCPRRPZVZHHT-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362771362 262071295 /nfs/dbraw/zinc/07/12/95/262071295.db2.gz YDWYMVOJTTUKGY-HZPDHXFCSA-N 1 3 310.486 0.718 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362771362 262071298 /nfs/dbraw/zinc/07/12/98/262071298.db2.gz YDWYMVOJTTUKGY-HZPDHXFCSA-N 1 3 310.486 0.718 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390951268 262160312 /nfs/dbraw/zinc/16/03/12/262160312.db2.gz WSCFBFNNBWLTRR-HOCLYGCPSA-N 1 3 305.422 0.989 20 0 DCADHO COCCNCCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000416828981 262240691 /nfs/dbraw/zinc/24/06/91/262240691.db2.gz SKYDRMKFSZNJOR-UHFFFAOYSA-N 1 3 300.447 0.786 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000416971080 262242553 /nfs/dbraw/zinc/24/25/53/262242553.db2.gz OSKAEHOCACQVNC-AWEZNQCLSA-N 1 3 306.410 0.788 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417094121 262245451 /nfs/dbraw/zinc/24/54/51/262245451.db2.gz PVGGANSXPDWNCO-OAHLLOKOSA-N 1 3 308.426 0.954 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417094121 262245452 /nfs/dbraw/zinc/24/54/52/262245452.db2.gz PVGGANSXPDWNCO-OAHLLOKOSA-N 1 3 308.426 0.954 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417089008 262245909 /nfs/dbraw/zinc/24/59/09/262245909.db2.gz ILNBBYUQXUOQSW-KGLIPLIRSA-N 1 3 300.447 0.771 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000417438929 262252154 /nfs/dbraw/zinc/25/21/54/262252154.db2.gz KFODWNLWPXAVOE-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 ZINC000417441536 262252429 /nfs/dbraw/zinc/25/24/29/262252429.db2.gz QJQOJECJQACQMY-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000417549623 262255307 /nfs/dbraw/zinc/25/53/07/262255307.db2.gz UDXJASXMFNALJB-AWEZNQCLSA-N 1 3 312.458 0.912 20 0 DCADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000417837608 262263844 /nfs/dbraw/zinc/26/38/44/262263844.db2.gz PQRVSCNUBUCDEN-ZBFHGGJFSA-N 1 3 320.437 0.465 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@H](C[NH3+])C2CC2)ccn1 ZINC000417949226 262266095 /nfs/dbraw/zinc/26/60/95/262266095.db2.gz JZZQBUSYPICUIM-CQSZACIVSA-N 1 3 321.425 0.559 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1C ZINC000418001444 262267517 /nfs/dbraw/zinc/26/75/17/262267517.db2.gz KQTKWZUDRWCQGW-RBSFLKMASA-N 1 3 309.458 0.158 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078191 262269173 /nfs/dbraw/zinc/26/91/73/262269173.db2.gz VJCNQBYEXOBXRX-GDBMZVCRSA-N 1 3 320.437 0.924 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN1CCCO ZINC000418409938 262276463 /nfs/dbraw/zinc/27/64/63/262276463.db2.gz ODOVHJCUBBUKFO-ZNMIVQPWSA-N 1 3 312.458 0.650 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418573385 262282415 /nfs/dbraw/zinc/28/24/15/262282415.db2.gz LGVJZNVXWKZKLR-KFWWJZLASA-N 1 3 312.458 0.376 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418572258 262282522 /nfs/dbraw/zinc/28/25/22/262282522.db2.gz SOFVJAVKNLAUPY-IHRRRGAJSA-N 1 3 312.458 0.864 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418599379 262284113 /nfs/dbraw/zinc/28/41/13/262284113.db2.gz HPOZDYWVAWQPRT-MRXNPFEDSA-N 1 3 324.469 0.688 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418896326 262297005 /nfs/dbraw/zinc/29/70/05/262297005.db2.gz FQZVEZMPQNTFLK-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418967100 262300632 /nfs/dbraw/zinc/30/06/32/262300632.db2.gz RNOYPWLRDIVIOD-AWEZNQCLSA-N 1 3 320.437 0.349 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419020386 262305381 /nfs/dbraw/zinc/30/53/81/262305381.db2.gz FPWANBXYJSYCDR-MCIONIFRSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419072188 262306141 /nfs/dbraw/zinc/30/61/41/262306141.db2.gz AZZLUMQRMHNEJL-ZIAGYGMSSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419071426 262306288 /nfs/dbraw/zinc/30/62/88/262306288.db2.gz ABIXKLUAVSKVRZ-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419083290 262307718 /nfs/dbraw/zinc/30/77/18/262307718.db2.gz WCWKDJPQQOMHPH-SOUVJXGZSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419083307 262308062 /nfs/dbraw/zinc/30/80/62/262308062.db2.gz WEFDVGPBEBCXFV-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419097368 262309476 /nfs/dbraw/zinc/30/94/76/262309476.db2.gz DWUMQSLCHBYXDJ-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419125246 262310862 /nfs/dbraw/zinc/31/08/62/262310862.db2.gz STHIRJXWSPVYHX-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)CN)CC(C)C ZINC000419128109 262311409 /nfs/dbraw/zinc/31/14/09/262311409.db2.gz VCPNIWJRHNCXAI-STQMWFEESA-N 1 3 300.447 0.323 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419126982 262311665 /nfs/dbraw/zinc/31/16/65/262311665.db2.gz YTTFHESJOSXROR-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419130136 262311842 /nfs/dbraw/zinc/31/18/42/262311842.db2.gz ARASTCISDPAIRT-ZFWWWQNUSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419130136 262311843 /nfs/dbraw/zinc/31/18/43/262311843.db2.gz ARASTCISDPAIRT-ZFWWWQNUSA-N 1 3 324.469 0.324 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419168126 262315669 /nfs/dbraw/zinc/31/56/69/262315669.db2.gz KDTUCGOVOFJWMR-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419171992 262316655 /nfs/dbraw/zinc/31/66/55/262316655.db2.gz QGOZWQZKDYUULT-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232829 262321708 /nfs/dbraw/zinc/32/17/08/262321708.db2.gz VIZWYUJEZBCAFJ-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]CCCCNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419233835 262322029 /nfs/dbraw/zinc/32/20/29/262322029.db2.gz WRPAYUBDBLGPDC-AWEZNQCLSA-N 1 3 310.442 0.222 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419405035 262330230 /nfs/dbraw/zinc/33/02/30/262330230.db2.gz HASLCOROVKHQIU-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419409676 262331288 /nfs/dbraw/zinc/33/12/88/262331288.db2.gz NNYAPBBFHNFJKZ-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000419408504 262331302 /nfs/dbraw/zinc/33/13/02/262331302.db2.gz LXTCWDRUUAIKCL-RDBSUJKOSA-N 1 3 310.442 0.091 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419409972 262331367 /nfs/dbraw/zinc/33/13/67/262331367.db2.gz NUQKICAXRQOOEE-OAHLLOKOSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000419419301 262332541 /nfs/dbraw/zinc/33/25/41/262332541.db2.gz JBPBPBNKTAFJKP-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419423979 262332971 /nfs/dbraw/zinc/33/29/71/262332971.db2.gz NSWNRCRYCLUGAC-HSBZDZAISA-N 1 3 310.442 0.363 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)C1 ZINC000419690748 262345351 /nfs/dbraw/zinc/34/53/51/262345351.db2.gz DUSXKHUPGCYYAQ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419693513 262345828 /nfs/dbraw/zinc/34/58/28/262345828.db2.gz JASBXGZVQSUHDB-QWHCGFSZSA-N 1 3 308.426 0.069 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419967454 262354434 /nfs/dbraw/zinc/35/44/34/262354434.db2.gz BDZGCUWVYOVBOX-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1 ZINC000419978081 262355188 /nfs/dbraw/zinc/35/51/88/262355188.db2.gz NQRBXMMKCSZQJN-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000419979268 262355252 /nfs/dbraw/zinc/35/52/52/262355252.db2.gz PEDVEJFFHZHPAY-ZIAGYGMSSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000419989215 262355525 /nfs/dbraw/zinc/35/55/25/262355525.db2.gz GLLMGCCZBATNDP-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000419989215 262355527 /nfs/dbraw/zinc/35/55/27/262355527.db2.gz GLLMGCCZBATNDP-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000419989217 262355945 /nfs/dbraw/zinc/35/59/45/262355945.db2.gz GLLMGCCZBATNDP-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000419989217 262355946 /nfs/dbraw/zinc/35/59/46/262355946.db2.gz GLLMGCCZBATNDP-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420113423 262361524 /nfs/dbraw/zinc/36/15/24/262361524.db2.gz CESGNNCTJQJULE-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000420151659 262364205 /nfs/dbraw/zinc/36/42/05/262364205.db2.gz YPGUWQVZVDLYHV-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000420151659 262364207 /nfs/dbraw/zinc/36/42/07/262364207.db2.gz YPGUWQVZVDLYHV-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC[NH3+])CC2)c1 ZINC000424014273 262477280 /nfs/dbraw/zinc/47/72/80/262477280.db2.gz ZKXJIKIIIOOYSO-UHFFFAOYSA-N 1 3 304.438 0.924 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCN1C ZINC000424464961 262501255 /nfs/dbraw/zinc/50/12/55/262501255.db2.gz REJCMSYKKSIIPM-BEAPCOKYSA-N 1 3 320.441 0.339 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000355895713 271029397 /nfs/dbraw/zinc/02/93/97/271029397.db2.gz XXBWOMISBFNHFK-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000418302216 271243434 /nfs/dbraw/zinc/24/34/34/271243434.db2.gz LIYYFDWBWIRIPD-INIZCTEOSA-N 1 3 319.453 0.453 20 0 DCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419027686 271265925 /nfs/dbraw/zinc/26/59/25/271265925.db2.gz PEDSZKDBUUGEGW-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419025177 271266377 /nfs/dbraw/zinc/26/63/77/271266377.db2.gz MEZMSPPXGIZKBS-QPSCCSFWSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCN)C1 ZINC000419032097 271267561 /nfs/dbraw/zinc/26/75/61/271267561.db2.gz WBOJURRXIBSFLR-STQMWFEESA-N 1 3 312.458 0.276 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000419403820 271289229 /nfs/dbraw/zinc/28/92/29/271289229.db2.gz FGDPUAHPUDOMKZ-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419432231 271290223 /nfs/dbraw/zinc/29/02/23/271290223.db2.gz YATRRVPXKIGCEA-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)CCN)C1 ZINC000419476246 271296473 /nfs/dbraw/zinc/29/64/73/271296473.db2.gz GCXPKYALPBQERU-ZIAGYGMSSA-N 1 3 312.458 0.278 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000419524531 271298473 /nfs/dbraw/zinc/29/84/73/271298473.db2.gz PZOUNPSTENTXIH-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419523606 271298560 /nfs/dbraw/zinc/29/85/60/271298560.db2.gz OSQNQSSGHWNTRH-BBRMVZONSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N(C)C1CC1 ZINC000419578464 271309619 /nfs/dbraw/zinc/30/96/19/271309619.db2.gz DVHFPJHXXGCHCS-MLGOLLRUSA-N 1 3 310.442 0.091 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000419580961 271310968 /nfs/dbraw/zinc/31/09/68/271310968.db2.gz IAGJCDFABCBUIR-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419703842 271321819 /nfs/dbraw/zinc/32/18/19/271321819.db2.gz WWFJLZDHRGXTOT-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CN)C[NH+]1CCCC1 ZINC000419830542 271330514 /nfs/dbraw/zinc/33/05/14/271330514.db2.gz QLKPKAAXASFVAP-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419862982 271335888 /nfs/dbraw/zinc/33/58/88/271335888.db2.gz DIBCDIUANANONE-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419932182 271344096 /nfs/dbraw/zinc/34/40/96/271344096.db2.gz FATQYNOWFMEIPG-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419931899 271344298 /nfs/dbraw/zinc/34/42/98/271344298.db2.gz DGTWXPCDYMMSNT-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419933326 271345252 /nfs/dbraw/zinc/34/52/52/271345252.db2.gz QKLFSKFXXWILIF-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419958785 271350008 /nfs/dbraw/zinc/35/00/08/271350008.db2.gz VFABMPAJZIQYAT-ZDUSSCGKSA-N 1 3 324.425 0.142 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000420175232 271363356 /nfs/dbraw/zinc/36/33/56/271363356.db2.gz UWJODZJOXVJPIU-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422717503 271380514 /nfs/dbraw/zinc/38/05/14/271380514.db2.gz ORIAYDLRHREQHE-NJAFHUGGSA-N 1 3 324.513 0.617 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000460080395 272025680 /nfs/dbraw/zinc/02/56/80/272025680.db2.gz KMPCHTFLXYHYIK-LSDHHAIUSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000460080395 272025683 /nfs/dbraw/zinc/02/56/83/272025683.db2.gz KMPCHTFLXYHYIK-LSDHHAIUSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)C/C=C/C(=O)NCC(C)(C)CNC(=O)/C=C\C[NH+](C)C ZINC000491841701 272106099 /nfs/dbraw/zinc/10/60/99/272106099.db2.gz CWBYCIVNCKQTGD-FKJILZIQSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C/C=C\C(=O)NCC(C)(C)CNC(=O)/C=C/C[NH+](C)C ZINC000491841701 272106102 /nfs/dbraw/zinc/10/61/02/272106102.db2.gz CWBYCIVNCKQTGD-FKJILZIQSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C/C=C\C(=O)NCC(C)(C)CNC(=O)/C=C\C[NH+](C)C ZINC000491841702 272106535 /nfs/dbraw/zinc/10/65/35/272106535.db2.gz CWBYCIVNCKQTGD-XOHWUJONSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262252139 276378384 /nfs/dbraw/zinc/37/83/84/276378384.db2.gz LQYCDCDUQBQONH-AWEZNQCLSA-N 1 3 305.426 0.562 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000340117132 276383945 /nfs/dbraw/zinc/38/39/45/276383945.db2.gz HLZUDBIXWKSIGH-CVEARBPZSA-N 1 3 310.486 0.895 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000340119211 276384721 /nfs/dbraw/zinc/38/47/21/276384721.db2.gz IKRTUTABUPMYDW-BZUAXINKSA-N 1 3 310.486 0.894 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418118427 277027349 /nfs/dbraw/zinc/02/73/49/277027349.db2.gz SXISDBJTHMRGAW-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)C[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167413044 277487386 /nfs/dbraw/zinc/48/73/86/277487386.db2.gz KFLWMJVQKKKECX-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1C[C@H](CN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC[NH2+]1 ZINC000333143300 278011225 /nfs/dbraw/zinc/01/12/25/278011225.db2.gz LHUNJKWTEKYEAS-RBSFLKMASA-N 1 3 315.483 0.874 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH2+]CC2)CC1=O ZINC000262503824 279305932 /nfs/dbraw/zinc/30/59/32/279305932.db2.gz IYHBYLMODVGOQB-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000342046372 279306303 /nfs/dbraw/zinc/30/63/03/279306303.db2.gz VHPBIRHJXWMZFJ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000342046372 279306306 /nfs/dbraw/zinc/30/63/06/279306306.db2.gz VHPBIRHJXWMZFJ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342070378 279306378 /nfs/dbraw/zinc/30/63/78/279306378.db2.gz ZSURBHAFHOWNIJ-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342070378 279306380 /nfs/dbraw/zinc/30/63/80/279306380.db2.gz ZSURBHAFHOWNIJ-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418707081 280164990 /nfs/dbraw/zinc/16/49/90/280164990.db2.gz IBBZVNBATFTUEV-CYBMUJFWSA-N 1 3 313.446 0.015 20 0 DCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)N2CC(C)C2)CC1 ZINC000553187949 288289928 /nfs/dbraw/zinc/28/99/28/288289928.db2.gz WHMGXBRMVQYXRA-ZBFHGGJFSA-N 1 3 310.486 0.716 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000562816873 288600681 /nfs/dbraw/zinc/60/06/81/288600681.db2.gz ZOFJKSYTLDKVLE-LZWOXQAQSA-N 1 3 300.406 0.734 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)N1CCOC2(CNC2)C1)C1CCCCC1 ZINC000333952421 289355769 /nfs/dbraw/zinc/35/57/69/289355769.db2.gz ZZFKPZPQBGYCDV-OAHLLOKOSA-N 1 3 324.469 0.881 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000278298336 293521653 /nfs/dbraw/zinc/52/16/53/293521653.db2.gz RQVZIFBMCHHARP-OAHLLOKOSA-N 1 3 305.422 0.566 20 0 DCADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000570271909 332734059 /nfs/dbraw/zinc/73/40/59/332734059.db2.gz PEMZTZAJJVBKBN-QWHCGFSZSA-N 1 3 308.426 0.829 20 0 DCADHO CCN(CCO)CCNC(=O)NCC1CC[NH+](CC)CC1 ZINC000582580650 337108113 /nfs/dbraw/zinc/10/81/13/337108113.db2.gz WZVIUKICULNZFP-UHFFFAOYSA-N 1 3 300.447 0.332 20 0 DCADHO CCS(=O)(=O)NCCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000580446161 337677921 /nfs/dbraw/zinc/67/79/21/337677921.db2.gz XZOXYKSDQRUFOQ-KGLIPLIRSA-N 1 3 319.471 0.144 20 0 DCADHO CO[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000577953437 341957625 /nfs/dbraw/zinc/95/76/25/341957625.db2.gz UDQXNQXFZFXABR-FMKPAKJESA-N 1 3 303.406 0.838 20 0 DCADHO CN(CCNCC(N)=O)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001567496225 1160395617 /nfs/dbraw/zinc/39/56/17/1160395617.db2.gz DUEQBLFVNCPDKT-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CCNCC(N)=O)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001567496225 1160395622 /nfs/dbraw/zinc/39/56/22/1160395622.db2.gz DUEQBLFVNCPDKT-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)(C[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431020616 517400052 /nfs/dbraw/zinc/40/00/52/517400052.db2.gz BZQDXIJCVJYKBP-UHFFFAOYSA-N 1 3 319.453 0.695 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000364118460 520695789 /nfs/dbraw/zinc/69/57/89/520695789.db2.gz GOHWXNPLUDTESV-MELADBBJSA-N 1 3 301.406 0.646 20 0 DCADHO CC1CC[NH+](CCN2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000154721703 521008242 /nfs/dbraw/zinc/00/82/42/521008242.db2.gz JIRROSFQBAKJJD-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+]1CCC(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000364153418 523762243 /nfs/dbraw/zinc/76/22/43/523762243.db2.gz DRVREBLGQKHAPL-LSDHHAIUSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365988272 524918372 /nfs/dbraw/zinc/91/83/72/524918372.db2.gz SRQZLUKGEVDTQI-MIGQKNRLSA-N 1 3 322.453 0.632 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365988272 524918381 /nfs/dbraw/zinc/91/83/81/524918381.db2.gz SRQZLUKGEVDTQI-MIGQKNRLSA-N 1 3 322.453 0.632 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C ZINC000237040318 545952801 /nfs/dbraw/zinc/95/28/01/545952801.db2.gz VAIFCIQDLLSZEC-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000333358136 546078850 /nfs/dbraw/zinc/07/88/50/546078850.db2.gz KRIDMLCIIQZZNJ-SGMGOOAPSA-N 1 3 300.472 0.863 20 0 DCADHO CCN1CCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333743980 546090363 /nfs/dbraw/zinc/09/03/63/546090363.db2.gz XZPNEXRKHAQALH-UHFFFAOYSA-N 1 3 323.485 0.550 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000342983916 546125679 /nfs/dbraw/zinc/12/56/79/546125679.db2.gz HLGMVHLCKCWXIF-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000342983916 546125685 /nfs/dbraw/zinc/12/56/85/546125685.db2.gz HLGMVHLCKCWXIF-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353427894 546173261 /nfs/dbraw/zinc/17/32/61/546173261.db2.gz LYRGNQLHCIOSSO-JKSUJKDBSA-N 1 3 308.470 0.376 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000416970032 546243618 /nfs/dbraw/zinc/24/36/18/546243618.db2.gz DAWUYBQJPUEZLF-DZGCQCFKSA-N 1 3 311.474 0.582 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615275320 546317963 /nfs/dbraw/zinc/31/79/63/546317963.db2.gz YSIACJLSZFYEAF-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615275320 546317967 /nfs/dbraw/zinc/31/79/67/546317967.db2.gz YSIACJLSZFYEAF-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662251573 546370665 /nfs/dbraw/zinc/37/06/65/546370665.db2.gz HAFCGCAZEVRKKE-CABCVRRESA-N 1 3 307.438 0.746 20 0 DCADHO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662251573 546370669 /nfs/dbraw/zinc/37/06/69/546370669.db2.gz HAFCGCAZEVRKKE-CABCVRRESA-N 1 3 307.438 0.746 20 0 DCADHO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H]1CCC3(CNC3)O1)CC2 ZINC000662254865 546372665 /nfs/dbraw/zinc/37/26/65/546372665.db2.gz BOCQHQOOAWGHGJ-RRFJBIMHSA-N 1 3 310.438 0.759 20 0 DCADHO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254629 546373090 /nfs/dbraw/zinc/37/30/90/546373090.db2.gz QYCHZMNYBIDQSI-CABCVRRESA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254629 546373085 /nfs/dbraw/zinc/37/30/85/546373085.db2.gz QYCHZMNYBIDQSI-CABCVRRESA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@@H]1CO ZINC000665761505 546394556 /nfs/dbraw/zinc/39/45/56/546394556.db2.gz GPQCZIXPGDGSOJ-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@@H]1CO ZINC000665761505 546394561 /nfs/dbraw/zinc/39/45/61/546394561.db2.gz GPQCZIXPGDGSOJ-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CN(C)C(=O)[C@H]1C ZINC000665763977 546396915 /nfs/dbraw/zinc/39/69/15/546396915.db2.gz QMEZQAIQKSHKFP-QWHCGFSZSA-N 1 3 313.446 0.088 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CN(C)C(=O)[C@H]1C ZINC000665763977 546396922 /nfs/dbraw/zinc/39/69/22/546396922.db2.gz QMEZQAIQKSHKFP-QWHCGFSZSA-N 1 3 313.446 0.088 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668327455 546729667 /nfs/dbraw/zinc/72/96/67/546729667.db2.gz AMFFXBMAFDFRPO-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000668634682 546807731 /nfs/dbraw/zinc/80/77/31/546807731.db2.gz BSFRBAOSRKKPSS-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCC1 ZINC000669026511 546905801 /nfs/dbraw/zinc/90/58/01/546905801.db2.gz IGRUIOCAZKPMMP-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)NC/C=C\C[NH3+] ZINC000669426327 546970501 /nfs/dbraw/zinc/97/05/01/546970501.db2.gz NDWXGTRDAIXBRF-WAYWQWQTSA-N 1 3 306.410 0.941 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[N@@H+]1C ZINC000670435576 547088580 /nfs/dbraw/zinc/08/85/80/547088580.db2.gz CRBXYFUABPYHBS-TUVASFSCSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[N@H+]1C ZINC000670435576 547088584 /nfs/dbraw/zinc/08/85/84/547088584.db2.gz CRBXYFUABPYHBS-TUVASFSCSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CC[NH+](C)CC1 ZINC000673670752 547513521 /nfs/dbraw/zinc/51/35/21/547513521.db2.gz OYYNNOTYPCODGM-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CN1CCC[C@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000674029229 547555016 /nfs/dbraw/zinc/55/50/16/547555016.db2.gz PQOGMJGUTPIWBI-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H]1CN(Cc2ccn(C)c(=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677904503 547918950 /nfs/dbraw/zinc/91/89/50/547918950.db2.gz RBBAARKUGBQXBA-DOTOQJQBSA-N 1 3 318.465 0.843 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCCN(C)C2)CCCO1 ZINC000683374865 548475162 /nfs/dbraw/zinc/47/51/62/548475162.db2.gz TXYCJKJRIQZYDV-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCCN(C)C2)CCCO1 ZINC000683374865 548475164 /nfs/dbraw/zinc/47/51/64/548475164.db2.gz TXYCJKJRIQZYDV-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCO)C[C@H]2C1 ZINC000980233651 660897520 /nfs/dbraw/zinc/89/75/20/660897520.db2.gz UPDZLASTXIMSEI-RRFJBIMHSA-N 1 3 320.437 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCO)C[C@H]2C1 ZINC000980233651 660897524 /nfs/dbraw/zinc/89/75/24/660897524.db2.gz UPDZLASTXIMSEI-RRFJBIMHSA-N 1 3 320.437 0.860 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2cncn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000980705410 660988151 /nfs/dbraw/zinc/98/81/51/660988151.db2.gz ZBBVDTWHOUUEEG-CHWSQXEVSA-N 1 3 316.409 0.713 20 0 DCADHO COC[C@@H](C)N1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981169116 661090250 /nfs/dbraw/zinc/09/02/50/661090250.db2.gz OURASHWIZHLJRK-GDBMZVCRSA-N 1 3 309.454 0.897 20 0 DCADHO Cn1ccnc1CNCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998271223 665427635 /nfs/dbraw/zinc/42/76/35/665427635.db2.gz DWHMWQMHAKOHIF-OAHLLOKOSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998271223 665427637 /nfs/dbraw/zinc/42/76/37/665427637.db2.gz DWHMWQMHAKOHIF-OAHLLOKOSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)CC1 ZINC000970383766 657462265 /nfs/dbraw/zinc/46/22/65/657462265.db2.gz YGXYYWUFZOLURG-TZMCWYRMSA-N 1 3 310.442 0.171 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891536645 657467818 /nfs/dbraw/zinc/46/78/18/657467818.db2.gz FFFBHCOCVOOXGZ-SQWLQELKSA-N 1 3 310.442 0.348 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000891575549 657492679 /nfs/dbraw/zinc/49/26/79/657492679.db2.gz HHCYCUJHMKYBFX-UONOGXRCSA-N 1 3 312.458 0.785 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000998724608 665512487 /nfs/dbraw/zinc/51/24/87/665512487.db2.gz UYYWSARVZLLDRB-HOTGVXAUSA-N 1 3 319.453 0.903 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000969403734 657812027 /nfs/dbraw/zinc/81/20/27/657812027.db2.gz PUGWADCNTWVTCS-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939212000 665518915 /nfs/dbraw/zinc/51/89/15/665518915.db2.gz WBLVILCCWZKAEG-IUODEOHRSA-N 1 3 306.410 0.815 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCOC3)C2)C1 ZINC001020589168 658160590 /nfs/dbraw/zinc/16/05/90/658160590.db2.gz YIJLFCLJSOHOPC-KLHDSHLOSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020589034 658161039 /nfs/dbraw/zinc/16/10/39/658161039.db2.gz VCVOIQSDSXARQT-RAIGVLPGSA-N 1 3 323.466 0.925 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001020589034 658161042 /nfs/dbraw/zinc/16/10/42/658161042.db2.gz VCVOIQSDSXARQT-RAIGVLPGSA-N 1 3 323.466 0.925 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892079786 658167864 /nfs/dbraw/zinc/16/78/64/658167864.db2.gz ZYZIJSSVWGTTIB-GDBMZVCRSA-N 1 3 323.485 0.406 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1C)N(C)C ZINC001020592200 658170550 /nfs/dbraw/zinc/17/05/50/658170550.db2.gz SHLTZEFXSWZXFN-AJNGGQMLSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1C)N(C)C ZINC001020592200 658170554 /nfs/dbraw/zinc/17/05/54/658170554.db2.gz SHLTZEFXSWZXFN-AJNGGQMLSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001020591208 658171412 /nfs/dbraw/zinc/17/14/12/658171412.db2.gz HLEGVDSHZRMUDD-AVGNSLFASA-N 1 3 310.442 0.219 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022647925 658223118 /nfs/dbraw/zinc/22/31/18/658223118.db2.gz OYCDEHLPDPYWLL-GASCZTMLSA-N 1 3 317.437 0.864 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)NC[C@@H]1C[NH2+]CCCO1 ZINC000892170397 658260259 /nfs/dbraw/zinc/26/02/59/658260259.db2.gz UOQPIAJPAWVOIG-HOTGVXAUSA-N 1 3 318.421 0.379 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000969948254 658281980 /nfs/dbraw/zinc/28/19/80/658281980.db2.gz JAVUBFVIXYMBQF-LSDHHAIUSA-N 1 3 305.426 0.558 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC000969949648 658285772 /nfs/dbraw/zinc/28/57/72/658285772.db2.gz WQKDQYYJFKSOLZ-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC000969949648 658285781 /nfs/dbraw/zinc/28/57/81/658285781.db2.gz WQKDQYYJFKSOLZ-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022710805 658348875 /nfs/dbraw/zinc/34/88/75/658348875.db2.gz NTUOBPSSCGYTKU-NFFDBFGFSA-N 1 3 315.433 0.817 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001022711510 658352117 /nfs/dbraw/zinc/35/21/17/658352117.db2.gz ZRXQUSCFXYAZDU-MELADBBJSA-N 1 3 305.426 0.641 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001024180318 658510558 /nfs/dbraw/zinc/51/05/58/658510558.db2.gz VKPOXNFNHYBYCR-JSGCOSHPSA-N 1 3 319.409 0.059 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1)N(C)C ZINC000972353439 658605673 /nfs/dbraw/zinc/60/56/73/658605673.db2.gz GQVALLYDQIBYDM-CVEARBPZSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1)N(C)C ZINC000972353439 658605681 /nfs/dbraw/zinc/60/56/81/658605681.db2.gz GQVALLYDQIBYDM-CVEARBPZSA-N 1 3 321.469 0.836 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891439982 658766945 /nfs/dbraw/zinc/76/69/45/658766945.db2.gz SSCXVTVKJUINTP-LSDHHAIUSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891440270 658769145 /nfs/dbraw/zinc/76/91/45/658769145.db2.gz VZURTXUSKLWYPJ-HOCLYGCPSA-N 1 3 310.442 0.681 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC001022103291 658866502 /nfs/dbraw/zinc/86/65/02/658866502.db2.gz GDGUKOGXZZDZSJ-HGTKMLMNSA-N 1 3 317.437 0.862 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC001022103291 658866503 /nfs/dbraw/zinc/86/65/03/658866503.db2.gz GDGUKOGXZZDZSJ-HGTKMLMNSA-N 1 3 317.437 0.862 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891491665 658890224 /nfs/dbraw/zinc/89/02/24/658890224.db2.gz AGAPKJGIOWGFKQ-MRXNPFEDSA-N 1 3 320.437 0.578 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981627 658892432 /nfs/dbraw/zinc/89/24/32/658892432.db2.gz XEHWIHCRHYAICD-OKILXGFUSA-N 1 3 315.421 0.618 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000891513882 658898771 /nfs/dbraw/zinc/89/87/71/658898771.db2.gz ISPMZPZLLIBSSL-AJNGGQMLSA-N 1 3 310.442 0.666 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC000999356458 665631266 /nfs/dbraw/zinc/63/12/66/665631266.db2.gz ZQAKQLKOBINUAZ-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCCN(CCCO)C1 ZINC000892589815 658950691 /nfs/dbraw/zinc/95/06/91/658950691.db2.gz RPTNJXOLGGOIMA-QKPAOTATSA-N 1 3 324.469 0.663 20 0 DCADHO Cn1nncc1CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999372710 665634868 /nfs/dbraw/zinc/63/48/68/665634868.db2.gz OZHGQYIQYSPZPM-ZFWWWQNUSA-N 1 3 320.441 0.236 20 0 DCADHO CS(=O)(=O)CCN1CCC(N[C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925566737 659258512 /nfs/dbraw/zinc/25/85/12/659258512.db2.gz LISAJPWVZMNCNE-KGLIPLIRSA-N 1 3 315.483 0.355 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001026726943 659481682 /nfs/dbraw/zinc/48/16/82/659481682.db2.gz IDOFNTVFFFMHQC-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO CC1(C)CN(CCCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000974575281 659578133 /nfs/dbraw/zinc/57/81/33/659578133.db2.gz DGGPIUDTTGEMJH-LSDHHAIUSA-N 1 3 309.454 0.537 20 0 DCADHO Cn1cc(CNC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001026887993 659627818 /nfs/dbraw/zinc/62/78/18/659627818.db2.gz YZRMJGZFIVMUQP-SWLSCSKDSA-N 1 3 320.441 0.093 20 0 DCADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001026887991 659627889 /nfs/dbraw/zinc/62/78/89/659627889.db2.gz YZRMJGZFIVMUQP-DOMZBBRYSA-N 1 3 320.441 0.093 20 0 DCADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999828140 665694838 /nfs/dbraw/zinc/69/48/38/665694838.db2.gz CXYXEZSYOXSXGX-VQCLRJIVSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999828140 665694839 /nfs/dbraw/zinc/69/48/39/665694839.db2.gz CXYXEZSYOXSXGX-VQCLRJIVSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001027037397 659726332 /nfs/dbraw/zinc/72/63/32/659726332.db2.gz UDVICMANFCUEID-ZDUSSCGKSA-N 1 3 320.441 0.393 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001026043463 659759080 /nfs/dbraw/zinc/75/90/80/659759080.db2.gz YNITXIDQVRXSTI-YXISZKLHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001026043463 659759083 /nfs/dbraw/zinc/75/90/83/659759083.db2.gz YNITXIDQVRXSTI-YXISZKLHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]32)C1 ZINC001026043622 659760068 /nfs/dbraw/zinc/76/00/68/659760068.db2.gz UZECFMYPMDFTCO-OCABDXPQSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]32)C1 ZINC001026043622 659760071 /nfs/dbraw/zinc/76/00/71/659760071.db2.gz UZECFMYPMDFTCO-OCABDXPQSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3cn(C)nn3)C2)C1 ZINC001027064695 659761913 /nfs/dbraw/zinc/76/19/13/659761913.db2.gz JCIWRWBXDCQZTM-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3cn(C)nn3)C2)C1 ZINC001027064695 659761916 /nfs/dbraw/zinc/76/19/16/659761916.db2.gz JCIWRWBXDCQZTM-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001027070063 659783914 /nfs/dbraw/zinc/78/39/14/659783914.db2.gz IGHVWPKJJYUEES-HIFRSBDPSA-N 1 3 322.457 0.576 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000079764 665736516 /nfs/dbraw/zinc/73/65/16/665736516.db2.gz BDLWABAXIMHWDR-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001000194193 665770223 /nfs/dbraw/zinc/77/02/23/665770223.db2.gz VNKHACHPUVAVAN-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)c1 ZINC000927883190 661697534 /nfs/dbraw/zinc/69/75/34/661697534.db2.gz NLRMJNMGUOSVQO-CYBMUJFWSA-N 1 3 318.421 0.884 20 0 DCADHO C[NH+](C)C[C@@H](O)CNC1CC(CNC(=O)OC(C)(C)C)C1 ZINC000924993959 661846249 /nfs/dbraw/zinc/84/62/49/661846249.db2.gz NPJOJDYNYRAFQU-BPCQOVAHSA-N 1 3 301.431 0.802 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001028987092 661921187 /nfs/dbraw/zinc/92/11/87/661921187.db2.gz VIBWOOUGWVQWSP-CVEARBPZSA-N 1 3 302.422 0.971 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001028987092 661921189 /nfs/dbraw/zinc/92/11/89/661921189.db2.gz VIBWOOUGWVQWSP-CVEARBPZSA-N 1 3 302.422 0.971 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000895666763 662205009 /nfs/dbraw/zinc/20/50/09/662205009.db2.gz RJMZFOMWVCDNMI-RWMBFGLXSA-N 1 3 314.430 0.262 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000895666763 662205012 /nfs/dbraw/zinc/20/50/12/662205012.db2.gz RJMZFOMWVCDNMI-RWMBFGLXSA-N 1 3 314.430 0.262 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000895841803 662221419 /nfs/dbraw/zinc/22/14/19/662221419.db2.gz SYWOEVCEXHPXKW-XHSDSOJGSA-N 1 3 324.469 0.711 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000895841803 662221421 /nfs/dbraw/zinc/22/14/21/662221421.db2.gz SYWOEVCEXHPXKW-XHSDSOJGSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC000984805002 662316458 /nfs/dbraw/zinc/31/64/58/662316458.db2.gz QXPNOWXLZNNQMN-MGPQQGTHSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000984802894 662318260 /nfs/dbraw/zinc/31/82/60/662318260.db2.gz FEECBHRLONYAMR-KBUPBQIOSA-N 1 3 322.453 0.234 20 0 DCADHO O=C(NC[C@H]1CCN1C[C@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001038454653 662349827 /nfs/dbraw/zinc/34/98/27/662349827.db2.gz NNAMJMPGPIZFSA-HUUCEWRRSA-N 1 3 307.438 0.842 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000985031674 662358636 /nfs/dbraw/zinc/35/86/36/662358636.db2.gz LIXJZXFLWLNMSD-IIAWOOMASA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985031674 662358638 /nfs/dbraw/zinc/35/86/38/662358638.db2.gz LIXJZXFLWLNMSD-IIAWOOMASA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC000985118788 662369535 /nfs/dbraw/zinc/36/95/35/662369535.db2.gz DNVFWRXIGRKJNA-APIJFGDWSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC000985118788 662369536 /nfs/dbraw/zinc/36/95/36/662369536.db2.gz DNVFWRXIGRKJNA-APIJFGDWSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000985499464 662468538 /nfs/dbraw/zinc/46/85/38/662468538.db2.gz RYQAYOGYRZGINN-JSGCOSHPSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000985499464 662468539 /nfs/dbraw/zinc/46/85/39/662468539.db2.gz RYQAYOGYRZGINN-JSGCOSHPSA-N 1 3 310.442 0.267 20 0 DCADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985614716 662492466 /nfs/dbraw/zinc/49/24/66/662492466.db2.gz LKYIOYJNLHAYKT-HNNXBMFYSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985655636 662497220 /nfs/dbraw/zinc/49/72/20/662497220.db2.gz VETCCGLWFQUDDL-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985655636 662497221 /nfs/dbraw/zinc/49/72/21/662497221.db2.gz VETCCGLWFQUDDL-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985655638 662497250 /nfs/dbraw/zinc/49/72/50/662497250.db2.gz VETCCGLWFQUDDL-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985655638 662497252 /nfs/dbraw/zinc/49/72/52/662497252.db2.gz VETCCGLWFQUDDL-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO C[N@H+](CCn1cncn1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786375 662512467 /nfs/dbraw/zinc/51/24/67/662512467.db2.gz AEKPTGNYDXPXHB-UHFFFAOYSA-N 1 3 320.441 0.297 20 0 DCADHO C[N@@H+](CCn1cncn1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786375 662512468 /nfs/dbraw/zinc/51/24/68/662512468.db2.gz AEKPTGNYDXPXHB-UHFFFAOYSA-N 1 3 320.441 0.297 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985803675 662515108 /nfs/dbraw/zinc/51/51/08/662515108.db2.gz IJKLBYHSWZGAQX-DZGCQCFKSA-N 1 3 324.469 0.657 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985803675 662515109 /nfs/dbraw/zinc/51/51/09/662515109.db2.gz IJKLBYHSWZGAQX-DZGCQCFKSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN(C)C1CCC1 ZINC000986355270 662583349 /nfs/dbraw/zinc/58/33/49/662583349.db2.gz MMCRQXDUZXGSSN-BBRMVZONSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351597 662585040 /nfs/dbraw/zinc/58/50/40/662585040.db2.gz DBDMLVGKVHFAEX-HOCLYGCPSA-N 1 3 319.453 0.946 20 0 DCADHO C[C@H]1[C@H](NCc2ccnn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986831795 662623218 /nfs/dbraw/zinc/62/32/18/662623218.db2.gz VXNJIKCNGKGRCE-XJKSGUPXSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987521348 662685312 /nfs/dbraw/zinc/68/53/12/662685312.db2.gz CQJKZHREFYBJCQ-GDBMZVCRSA-N 1 3 319.453 0.903 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC000988095010 662729176 /nfs/dbraw/zinc/72/91/76/662729176.db2.gz CDBMFLYMSNFPDR-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC000988095010 662729177 /nfs/dbraw/zinc/72/91/77/662729177.db2.gz CDBMFLYMSNFPDR-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCC[N@H+](CCCCN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925283651 662788532 /nfs/dbraw/zinc/78/85/32/662788532.db2.gz SVMVXLCKBOWQSY-ZIAGYGMSSA-N 1 3 310.442 0.981 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCCCN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925283651 662788534 /nfs/dbraw/zinc/78/85/34/662788534.db2.gz SVMVXLCKBOWQSY-ZIAGYGMSSA-N 1 3 310.442 0.981 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000729499901 662892527 /nfs/dbraw/zinc/89/25/27/662892527.db2.gz AXKFUPFNGOREIZ-FPCVCCKLSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000729499901 662892528 /nfs/dbraw/zinc/89/25/28/662892528.db2.gz AXKFUPFNGOREIZ-FPCVCCKLSA-N 1 3 322.453 0.776 20 0 DCADHO CC[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729584832 662903979 /nfs/dbraw/zinc/90/39/79/662903979.db2.gz KPPPVJVCDNSFOX-LSDHHAIUSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000989561379 662959642 /nfs/dbraw/zinc/95/96/42/662959642.db2.gz CBUQSVJMNQIMMN-SWLSCSKDSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H]1C[C@H](NCc2cncn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682720 662971494 /nfs/dbraw/zinc/97/14/94/662971494.db2.gz JOZXFIFJKVFOKE-KGLIPLIRSA-N 1 3 317.437 0.595 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000924654490 663072279 /nfs/dbraw/zinc/07/22/79/663072279.db2.gz IDYCVSRSHMWWTQ-MRXNPFEDSA-N 1 3 311.470 0.942 20 0 DCADHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)C12CCC2 ZINC000898836461 663109646 /nfs/dbraw/zinc/10/96/46/663109646.db2.gz UTEHXEZEWACSCK-RBSFLKMASA-N 1 3 306.454 0.365 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900465567 663247008 /nfs/dbraw/zinc/24/70/08/663247008.db2.gz BDMNCMIUCANBGR-GASCZTMLSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900465567 663247010 /nfs/dbraw/zinc/24/70/10/663247010.db2.gz BDMNCMIUCANBGR-GASCZTMLSA-N 1 3 319.453 0.969 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900687616 663272185 /nfs/dbraw/zinc/27/21/85/663272185.db2.gz UVPJISMZTDCUPQ-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900687616 663272187 /nfs/dbraw/zinc/27/21/87/663272187.db2.gz UVPJISMZTDCUPQ-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CC1(C)CN([C@@H]2CCNC2=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221397 665948677 /nfs/dbraw/zinc/94/86/77/665948677.db2.gz SNXVASGTBHCPPL-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CS[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C[C@@H]1N(C)C ZINC000901231125 663331725 /nfs/dbraw/zinc/33/17/25/663331725.db2.gz USPQZPVJQIAPEN-GZBFAFLISA-N 1 3 315.483 0.337 20 0 DCADHO CS[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[C@@H]1N(C)C ZINC000901231125 663331728 /nfs/dbraw/zinc/33/17/28/663331728.db2.gz USPQZPVJQIAPEN-GZBFAFLISA-N 1 3 315.483 0.337 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903090986 663446979 /nfs/dbraw/zinc/44/69/79/663446979.db2.gz KQJBCEUEHXZTIC-IIAWOOMASA-N 1 3 311.426 0.111 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903090986 663446980 /nfs/dbraw/zinc/44/69/80/663446980.db2.gz KQJBCEUEHXZTIC-IIAWOOMASA-N 1 3 311.426 0.111 20 0 DCADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000926436 665964292 /nfs/dbraw/zinc/96/42/92/665964292.db2.gz JRZOKZBAZSNMOB-HOTGVXAUSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000926436 665964294 /nfs/dbraw/zinc/96/42/94/665964294.db2.gz JRZOKZBAZSNMOB-HOTGVXAUSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000926433 665964378 /nfs/dbraw/zinc/96/43/78/665964378.db2.gz JRZOKZBAZSNMOB-CVEARBPZSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000926433 665964380 /nfs/dbraw/zinc/96/43/80/665964380.db2.gz JRZOKZBAZSNMOB-CVEARBPZSA-N 1 3 317.437 0.817 20 0 DCADHO O=C1NCCN1[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903725840 663475218 /nfs/dbraw/zinc/47/52/18/663475218.db2.gz ICYISMCXWHPLHZ-YCPHGPKFSA-N 1 3 308.426 0.245 20 0 DCADHO COCCOCCOCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903820390 663487266 /nfs/dbraw/zinc/48/72/66/663487266.db2.gz ZWSRBCCSKSLFQQ-UHFFFAOYSA-N 1 3 316.442 0.511 20 0 DCADHO COCCOCCOCC[N@H+]1CCNCCC12CCOCC2 ZINC000903820390 663487268 /nfs/dbraw/zinc/48/72/68/663487268.db2.gz ZWSRBCCSKSLFQQ-UHFFFAOYSA-N 1 3 316.442 0.511 20 0 DCADHO Nc1nc(C2CC2)nc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000903823796 663487455 /nfs/dbraw/zinc/48/74/55/663487455.db2.gz JVNRSBHHULIYHO-LBPRGKRZSA-N 1 3 317.441 0.453 20 0 DCADHO COC(=O)[C@@]1(C)CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897947 663493518 /nfs/dbraw/zinc/49/35/18/663493518.db2.gz KSQNDJALRJRZTF-BBRMVZONSA-N 1 3 308.426 0.731 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cnn1C ZINC000903933051 663496565 /nfs/dbraw/zinc/49/65/65/663496565.db2.gz KJLOVAHUPGIFOX-FMKPAKJESA-N 1 3 319.453 0.446 20 0 DCADHO COC[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000903959294 663497825 /nfs/dbraw/zinc/49/78/25/663497825.db2.gz DYNDNWPTJJWDGG-DZKIICNBSA-N 1 3 323.441 0.734 20 0 DCADHO CN(C)C(=O)N1CCC(N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903973641 663498660 /nfs/dbraw/zinc/49/86/60/663498660.db2.gz QPGFSYXUACRIFV-OAHLLOKOSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904316223 663507800 /nfs/dbraw/zinc/50/78/00/663507800.db2.gz MCJVMPXJPNOQHP-KFWWJZLASA-N 1 3 308.470 0.789 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904317469 663508217 /nfs/dbraw/zinc/50/82/17/663508217.db2.gz ZAUOVDCJSRJPFZ-KRWDZBQOSA-N 1 3 310.486 0.862 20 0 DCADHO NC(=O)[C@]12CCC[C@H]1CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000904468743 663514947 /nfs/dbraw/zinc/51/49/47/663514947.db2.gz GCCYJYQJMJEEQC-ZENOOKHLSA-N 1 3 318.425 0.290 20 0 DCADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)C[C@]1(O)CCOC1 ZINC000905153462 663533981 /nfs/dbraw/zinc/53/39/81/663533981.db2.gz FKZWJHXZDWLLNA-DLBZAZTESA-N 1 3 312.454 0.885 20 0 DCADHO C[NH+](C)CC1(CNC[C@H](O)C[C@]2(O)CCOC2)CCCC1 ZINC000905211780 663540983 /nfs/dbraw/zinc/54/09/83/663540983.db2.gz GYFWVDTYKRATFS-GDBMZVCRSA-N 1 3 300.443 0.600 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911055790 663973450 /nfs/dbraw/zinc/97/34/50/663973450.db2.gz PQUNEXIMNQLNKE-CBBWQLFWSA-N 1 3 322.453 0.376 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000911269359 664012801 /nfs/dbraw/zinc/01/28/01/664012801.db2.gz JVOGQSXNNBIFCY-UHFFFAOYSA-N 1 3 324.469 0.612 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911259625 664017770 /nfs/dbraw/zinc/01/77/70/664017770.db2.gz YRCSCMDUHYAWIM-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911310090 664025669 /nfs/dbraw/zinc/02/56/69/664025669.db2.gz UHLBHXXXWPELPI-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000911533690 664070633 /nfs/dbraw/zinc/07/06/33/664070633.db2.gz PTZSVFOZENHPTJ-KRWDZBQOSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000911580900 664086030 /nfs/dbraw/zinc/08/60/30/664086030.db2.gz UTPOTUMZMPSGHH-UONOGXRCSA-N 1 3 307.442 0.903 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC000911736225 664104854 /nfs/dbraw/zinc/10/48/54/664104854.db2.gz INXNFLXWAHMEQC-KGLIPLIRSA-N 1 3 316.405 0.723 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991476381 664358734 /nfs/dbraw/zinc/35/87/34/664358734.db2.gz CMXJRECOMVLPEC-UKRRQHHQSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991476381 664358736 /nfs/dbraw/zinc/35/87/36/664358736.db2.gz CMXJRECOMVLPEC-UKRRQHHQSA-N 1 3 322.453 0.138 20 0 DCADHO C[NH+](C)C1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000913912983 664733358 /nfs/dbraw/zinc/73/33/58/664733358.db2.gz OKSIWVOCUGUAIL-HNNXBMFYSA-N 1 3 315.483 0.828 20 0 DCADHO CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCN2C)C[C@@H]1CC ZINC000925408445 664778225 /nfs/dbraw/zinc/77/82/25/664778225.db2.gz ZBDIFAPENUPRCO-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CCN2C)C[C@@H]1CC ZINC000925408445 664778226 /nfs/dbraw/zinc/77/82/26/664778226.db2.gz ZBDIFAPENUPRCO-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000923596482 664826788 /nfs/dbraw/zinc/82/67/88/664826788.db2.gz RKGAZHJCAPPRIG-KGLIPLIRSA-N 1 3 303.472 0.778 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731120484 664836085 /nfs/dbraw/zinc/83/60/85/664836085.db2.gz AJKUYCZMZJWZTJ-BZUAXINKSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000731120484 664836088 /nfs/dbraw/zinc/83/60/88/664836088.db2.gz AJKUYCZMZJWZTJ-BZUAXINKSA-N 1 3 322.453 0.633 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCCN1CCCO ZINC000993531618 664977479 /nfs/dbraw/zinc/97/74/79/664977479.db2.gz UJOJRSABIHVMKS-CABCVRRESA-N 1 3 309.454 0.966 20 0 DCADHO CN(C)c1cc[nH+]c(CNC(=O)NC[C@@H]2CN(C)CCN2C)c1 ZINC000917959612 665151558 /nfs/dbraw/zinc/15/15/58/665151558.db2.gz HZTRQXGQPKJIEI-OAHLLOKOSA-N 1 3 320.441 0.193 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000998080506 665397038 /nfs/dbraw/zinc/39/70/38/665397038.db2.gz BTBGOBGFCKPGOB-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO CC[NH+]1CC(N2CCN(C(=O)c3cnccc3N(C)C)CC2)C1 ZINC000941640801 666032563 /nfs/dbraw/zinc/03/25/63/666032563.db2.gz COUJMFCJQJDWPX-UHFFFAOYSA-N 1 3 317.437 0.610 20 0 DCADHO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000922158557 666272902 /nfs/dbraw/zinc/27/29/02/666272902.db2.gz JMLBGOIGCJDELD-AWEZNQCLSA-N 1 3 317.437 0.657 20 0 DCADHO CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000922158557 666272904 /nfs/dbraw/zinc/27/29/04/666272904.db2.gz JMLBGOIGCJDELD-AWEZNQCLSA-N 1 3 317.437 0.657 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996073953 666735138 /nfs/dbraw/zinc/73/51/38/666735138.db2.gz UDXQWCXJXBDRPC-YXXKGXSTSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000996976761 667055086 /nfs/dbraw/zinc/05/50/86/667055086.db2.gz FSQJWCNZESKLJA-UONOGXRCSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997003977 667068458 /nfs/dbraw/zinc/06/84/58/667068458.db2.gz BCTRHGRCKNRGBR-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997003977 667068460 /nfs/dbraw/zinc/06/84/60/667068460.db2.gz BCTRHGRCKNRGBR-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001034693831 667112003 /nfs/dbraw/zinc/11/20/03/667112003.db2.gz HWWGRPSREATYGN-WHJSIAKGSA-N 1 3 307.438 0.887 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cn1 ZINC001034881867 667167956 /nfs/dbraw/zinc/16/79/56/667167956.db2.gz OBDGEHPIJFJWJM-CABCVRRESA-N 1 3 305.426 0.595 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC001034973481 667201253 /nfs/dbraw/zinc/20/12/53/667201253.db2.gz SCBINGKCCSMTBY-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001034975536 667202028 /nfs/dbraw/zinc/20/20/28/667202028.db2.gz SJURQKOZEPKYCT-HUUCEWRRSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001035028654 667219537 /nfs/dbraw/zinc/21/95/37/667219537.db2.gz RPXMYUFQCHMQMS-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001035028654 667219538 /nfs/dbraw/zinc/21/95/38/667219538.db2.gz RPXMYUFQCHMQMS-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001035067345 667237429 /nfs/dbraw/zinc/23/74/29/667237429.db2.gz PUBPUXMXCJCLAL-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166345 667256228 /nfs/dbraw/zinc/25/62/28/667256228.db2.gz NJNGQLUZHFAFMX-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166345 667256229 /nfs/dbraw/zinc/25/62/29/667256229.db2.gz NJNGQLUZHFAFMX-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC3(CN(CCO)C3)CC2)CC1 ZINC001035809891 667412830 /nfs/dbraw/zinc/41/28/30/667412830.db2.gz CWJCJCPYWHOJBL-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO COC[C@H](C)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035852167 667413408 /nfs/dbraw/zinc/41/34/08/667413408.db2.gz RGDWUWSNRURIII-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO COC[C@H](C)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035852167 667413409 /nfs/dbraw/zinc/41/34/09/667413409.db2.gz RGDWUWSNRURIII-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CC1 ZINC000923000782 667456007 /nfs/dbraw/zinc/45/60/07/667456007.db2.gz XFFYAZKNBGPCAM-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO COC(=O)[C@H](NC(CN)C[NH3+])c1ccccc1Br ZINC000923358747 667513582 /nfs/dbraw/zinc/51/35/82/667513582.db2.gz GXGJYWKSKFTUDA-LLVKDONJSA-N 1 3 316.199 0.539 20 0 DCADHO O[C@H](COc1ccc(F)cc1)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923367441 667517569 /nfs/dbraw/zinc/51/75/69/667517569.db2.gz VEERMFWSILPKAL-CVEARBPZSA-N 1 3 323.412 0.545 20 0 DCADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC000923374830 667519743 /nfs/dbraw/zinc/51/97/43/667519743.db2.gz CYOSFRXTANESRE-SJORKVTESA-N 1 3 315.421 0.977 20 0 DCADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC000923374830 667519746 /nfs/dbraw/zinc/51/97/46/667519746.db2.gz CYOSFRXTANESRE-SJORKVTESA-N 1 3 315.421 0.977 20 0 DCADHO COCC[C@@H](N)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000884316002 667522731 /nfs/dbraw/zinc/52/27/31/667522731.db2.gz HQZAUEKPTWFAGT-OAHLLOKOSA-N 1 3 306.410 0.778 20 0 DCADHO O[C@@H](CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C(F)(F)F ZINC000923430619 667532737 /nfs/dbraw/zinc/53/27/37/667532737.db2.gz IJKOAODSQCOBCQ-XQQFMLRXSA-N 1 3 307.360 0.810 20 0 DCADHO O=C(CCN1CCNCC[NH2+]CC1)Nc1ccc2c(c1)OCO2 ZINC000923462222 667538794 /nfs/dbraw/zinc/53/87/94/667538794.db2.gz FDEHSPDYTFFGMD-UHFFFAOYSA-N 1 3 320.393 0.239 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N1CCC(C)CC1 ZINC000884502795 667557603 /nfs/dbraw/zinc/55/76/03/667557603.db2.gz TWNNNXYJRDKQRI-MCIONIFRSA-N 1 3 310.442 0.171 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868407227 667567986 /nfs/dbraw/zinc/56/79/86/667567986.db2.gz SQJXELXHOQBJBT-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO O=S(=O)(NCC[NH2+]C1CCCCCC1)N1CCNCC1 ZINC000923573847 667569774 /nfs/dbraw/zinc/56/97/74/667569774.db2.gz SFHLHEZRTOPMFD-UHFFFAOYSA-N 1 3 304.460 0.038 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923686862 667579039 /nfs/dbraw/zinc/57/90/39/667579039.db2.gz ATNAYLPNBFAJAN-ZDUSSCGKSA-N 1 3 319.471 0.098 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884664848 667584652 /nfs/dbraw/zinc/58/46/52/667584652.db2.gz WNTREVAKMAYQEY-GFCCVEGCSA-N 1 3 312.458 0.467 20 0 DCADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884776409 667605881 /nfs/dbraw/zinc/60/58/81/667605881.db2.gz ROFRGZGIYYSTSO-XGUBFFRZSA-N 1 3 320.437 0.082 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884910912 667622173 /nfs/dbraw/zinc/62/21/73/667622173.db2.gz GFFCTGWKVIBPPG-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO O=S(=O)(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CNC1 ZINC000923607009 667632542 /nfs/dbraw/zinc/63/25/42/667632542.db2.gz VEVINJASTSEISX-HNNXBMFYSA-N 1 3 323.462 0.442 20 0 DCADHO O=S(=O)(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CNC1 ZINC000923607009 667632545 /nfs/dbraw/zinc/63/25/45/667632545.db2.gz VEVINJASTSEISX-HNNXBMFYSA-N 1 3 323.462 0.442 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](O)CNCCF)C1 ZINC001725709948 1157760623 /nfs/dbraw/zinc/76/06/23/1157760623.db2.gz YTSCCGZLUZZPCG-KGLIPLIRSA-N 1 3 303.422 0.487 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](O)CNCCF)C1 ZINC001725709948 1157760627 /nfs/dbraw/zinc/76/06/27/1157760627.db2.gz YTSCCGZLUZZPCG-KGLIPLIRSA-N 1 3 303.422 0.487 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000838301517 667685222 /nfs/dbraw/zinc/68/52/22/667685222.db2.gz FAKIDJLCIYHPPD-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000838301517 667685224 /nfs/dbraw/zinc/68/52/24/667685224.db2.gz FAKIDJLCIYHPPD-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO COC(=O)c1cc2n(n1)CCC[C@H]2NCC1(O)CC[NH+](C)CC1 ZINC000886530334 667774796 /nfs/dbraw/zinc/77/47/96/667774796.db2.gz IMECINZXKDSULH-GFCCVEGCSA-N 1 3 322.409 0.551 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886841454 667804922 /nfs/dbraw/zinc/80/49/22/667804922.db2.gz LWNMBYNKXRXEAF-IBEHDNSVSA-N 1 3 321.421 0.811 20 0 DCADHO CC1(C)CO[C@@H](CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872146317 667868102 /nfs/dbraw/zinc/86/81/02/667868102.db2.gz LDWTZSHEOKFDSO-DGAVXFQQSA-N 1 3 309.410 0.668 20 0 DCADHO CC(C)(O)C[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000872202731 667876007 /nfs/dbraw/zinc/87/60/07/667876007.db2.gz JISYGYPBVJBSAN-RRFJBIMHSA-N 1 3 300.443 0.476 20 0 DCADHO C[C@@H]1CN(CC[C@@H]2CCOC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764468149 668448484 /nfs/dbraw/zinc/44/84/84/668448484.db2.gz FYORCOYJCRQHKD-BZUAXINKSA-N 1 3 309.454 0.897 20 0 DCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](N)CN(C)C)C2)CC1 ZINC000876739128 668499598 /nfs/dbraw/zinc/49/95/98/668499598.db2.gz DKMVUPZXSNSDEM-CVEARBPZSA-N 1 3 310.486 0.846 20 0 DCADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752630 668501523 /nfs/dbraw/zinc/50/15/23/668501523.db2.gz VHMZILZKYRJSAT-ZIAGYGMSSA-N 1 3 322.453 0.126 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876781383 668509665 /nfs/dbraw/zinc/50/96/65/668509665.db2.gz HBFXNGJWEXIONU-AVGNSLFASA-N 1 3 318.412 0.216 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876880958 668526927 /nfs/dbraw/zinc/52/69/27/668526927.db2.gz QZZVKPMDORUJKH-WLMCBFPDSA-N 1 3 308.470 0.638 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000876901175 668531628 /nfs/dbraw/zinc/53/16/28/668531628.db2.gz AMSMYIGJOHACLF-WFASDCNBSA-N 1 3 317.437 0.968 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876901175 668531633 /nfs/dbraw/zinc/53/16/33/668531633.db2.gz AMSMYIGJOHACLF-WFASDCNBSA-N 1 3 317.437 0.968 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000876956358 668542206 /nfs/dbraw/zinc/54/22/06/668542206.db2.gz IAFXGYZWHNEANA-ZDUSSCGKSA-N 1 3 305.426 0.731 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207535 668576898 /nfs/dbraw/zinc/57/68/98/668576898.db2.gz ZWWHURJCUBATDJ-LBPRGKRZSA-N 1 3 316.409 0.730 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)CC1 ZINC000877251800 668583856 /nfs/dbraw/zinc/58/38/56/668583856.db2.gz UJIXMMKVBGDTDM-HNNXBMFYSA-N 1 3 308.470 0.613 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)CC2)CC1 ZINC000877251603 668584075 /nfs/dbraw/zinc/58/40/75/668584075.db2.gz RMORJPLOWSXWMQ-HUUCEWRRSA-N 1 3 308.470 0.598 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000877252058 668584940 /nfs/dbraw/zinc/58/49/40/668584940.db2.gz YWKYVDBHQZJHQP-ZBFHGGJFSA-N 1 3 308.470 0.613 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)CC(C)(C)O ZINC000878311786 668711084 /nfs/dbraw/zinc/71/10/84/668711084.db2.gz YUPBNXBSJJCAMK-OAHLLOKOSA-N 1 3 301.475 0.466 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)CC(C)(C)O ZINC000878311786 668711086 /nfs/dbraw/zinc/71/10/86/668711086.db2.gz YUPBNXBSJJCAMK-OAHLLOKOSA-N 1 3 301.475 0.466 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878326058 668712746 /nfs/dbraw/zinc/71/27/46/668712746.db2.gz VXARPPZCELNLST-OWCLPIDISA-N 1 3 313.486 0.466 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000930148930 668970284 /nfs/dbraw/zinc/97/02/84/668970284.db2.gz WRYSAERPUZVGDS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@H+]1C ZINC000930148930 668970285 /nfs/dbraw/zinc/97/02/85/668970285.db2.gz WRYSAERPUZVGDS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(CCN2CCC([NH+]3CCN(C)CC3)CC2)CCO1 ZINC000879596261 669070092 /nfs/dbraw/zinc/07/00/92/669070092.db2.gz KQAPGWSNSWKKDE-MRXNPFEDSA-N 1 3 310.486 0.419 20 0 DCADHO CC1([NH+]2CCC2)CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000882506054 669537353 /nfs/dbraw/zinc/53/73/53/669537353.db2.gz RYBBLTJKRRKHJA-OAHLLOKOSA-N 1 3 306.454 0.463 20 0 DCADHO Cn1nc2c(c1CNCC1(O)CC[NH+](C)CC1)CSCC2 ZINC000883016962 669640709 /nfs/dbraw/zinc/64/07/09/669640709.db2.gz SJBYKRQDUOZDJR-UHFFFAOYSA-N 1 3 310.467 0.756 20 0 DCADHO CC[NH+](CC)CC[C@@H](CO)NC1CCN(C(=O)OC)CC1 ZINC000883161428 669657501 /nfs/dbraw/zinc/65/75/01/669657501.db2.gz RRMDJYFFQIKZSD-AWEZNQCLSA-N 1 3 301.431 0.900 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793703854 669735741 /nfs/dbraw/zinc/73/57/41/669735741.db2.gz ZGNGMNFZHXYUDK-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793703854 669735744 /nfs/dbraw/zinc/73/57/44/669735744.db2.gz ZGNGMNFZHXYUDK-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793703856 669735754 /nfs/dbraw/zinc/73/57/54/669735754.db2.gz ZGNGMNFZHXYUDK-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793703856 669735755 /nfs/dbraw/zinc/73/57/55/669735755.db2.gz ZGNGMNFZHXYUDK-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO O[C@@H](CN1CCC[C@H](CN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000801569110 670135320 /nfs/dbraw/zinc/13/53/20/670135320.db2.gz CMZLWNZPNYNEGM-IAGOWNOFSA-N 1 3 311.470 0.487 20 0 DCADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCO)C1)C1CCC1 ZINC001036736838 670167468 /nfs/dbraw/zinc/16/74/68/670167468.db2.gz HMYLGGUSZWODOZ-ZBFHGGJFSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCO)C1)C1CCC1 ZINC001036736838 670167470 /nfs/dbraw/zinc/16/74/70/670167470.db2.gz HMYLGGUSZWODOZ-ZBFHGGJFSA-N 1 3 309.454 0.776 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCO)C2)CC1 ZINC001036853815 670221753 /nfs/dbraw/zinc/22/17/53/670221753.db2.gz ZPFJOWVTRWULRR-CVEARBPZSA-N 1 3 309.454 0.633 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)CC1 ZINC001036853815 670221754 /nfs/dbraw/zinc/22/17/54/670221754.db2.gz ZPFJOWVTRWULRR-CVEARBPZSA-N 1 3 309.454 0.633 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952151480 670448948 /nfs/dbraw/zinc/44/89/48/670448948.db2.gz LSQORWDQXFYRLV-QWHCGFSZSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952151480 670448950 /nfs/dbraw/zinc/44/89/50/670448950.db2.gz LSQORWDQXFYRLV-QWHCGFSZSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H](C[C@@H]1COCC[NH2+]1)NCCS(=O)(=O)CC(F)(F)F ZINC000854222878 670536218 /nfs/dbraw/zinc/53/62/18/670536218.db2.gz MTYPRSZRHFOCTB-NXEZZACHSA-N 1 3 318.361 0.320 20 0 DCADHO CCn1nc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000855346713 670700441 /nfs/dbraw/zinc/70/04/41/670700441.db2.gz JSECEAWBJKNAJR-LBPRGKRZSA-N 1 3 310.446 0.608 20 0 DCADHO CCn1nc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000855346713 670700444 /nfs/dbraw/zinc/70/04/44/670700444.db2.gz JSECEAWBJKNAJR-LBPRGKRZSA-N 1 3 310.446 0.608 20 0 DCADHO CCNC(=O)C1(CNC(=[NH2+])NC[C@@H]2CCCN2CC)CCC1 ZINC000849022273 670750787 /nfs/dbraw/zinc/75/07/87/670750787.db2.gz NMAKLPVVRZVVTF-ZDUSSCGKSA-N 1 3 309.458 0.891 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000849484297 670809991 /nfs/dbraw/zinc/80/99/91/670809991.db2.gz AEQCSAAWPRJOPQ-LSDHHAIUSA-N 1 3 321.469 0.912 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849541199 670814405 /nfs/dbraw/zinc/81/44/05/670814405.db2.gz LYRALGDMHJAULD-HOTGVXAUSA-N 1 3 321.469 0.912 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849541199 670814413 /nfs/dbraw/zinc/81/44/13/670814413.db2.gz LYRALGDMHJAULD-HOTGVXAUSA-N 1 3 321.469 0.912 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849577827 670820730 /nfs/dbraw/zinc/82/07/30/670820730.db2.gz SWGUGSMBAZTQAA-HZPDHXFCSA-N 1 3 321.469 0.866 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849613146 670827579 /nfs/dbraw/zinc/82/75/79/670827579.db2.gz PHEAUHFMVMIHRY-QEJZJMRPSA-N 1 3 307.442 0.522 20 0 DCADHO CCN1CCN(CCCC[NH2+]CCS(=O)(=O)CC)CC1 ZINC000819060368 671091474 /nfs/dbraw/zinc/09/14/74/671091474.db2.gz HMIYLDVWPNYBQN-UHFFFAOYSA-N 1 3 305.488 0.428 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)=NO1 ZINC000852854724 671174916 /nfs/dbraw/zinc/17/49/16/671174916.db2.gz NWEBCHNQTBHHBH-KBPBESRZSA-N 1 3 302.378 0.481 20 0 DCADHO Cc1ccc([C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000852860683 671177793 /nfs/dbraw/zinc/17/77/93/671177793.db2.gz IFPYVBZFIUDBSS-ZFWWWQNUSA-N 1 3 304.394 0.818 20 0 DCADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000852915778 671194327 /nfs/dbraw/zinc/19/43/27/671194327.db2.gz LPFMJRBZTZTQHX-LSDHHAIUSA-N 1 3 311.426 0.125 20 0 DCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853098059 671208252 /nfs/dbraw/zinc/20/82/52/671208252.db2.gz KLDYLVVCZOJGRV-UKRRQHHQSA-N 1 3 306.410 0.292 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000827936980 671540027 /nfs/dbraw/zinc/54/00/27/671540027.db2.gz YZHZLZOFCFQLDB-YHUYYLMFSA-N 1 3 307.438 0.602 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000829435374 671575808 /nfs/dbraw/zinc/57/58/08/671575808.db2.gz BORWLDJPMVUWFB-AWEZNQCLSA-N 1 3 311.426 0.505 20 0 DCADHO [NH3+]CCCCCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000831290846 671663159 /nfs/dbraw/zinc/66/31/59/671663159.db2.gz GCWBDNKTHJHYMK-CQSZACIVSA-N 1 3 300.447 0.652 20 0 DCADHO CCN1CC[C@H]2OCCN(C(=S)NCC[NH+](C)C)[C@H]2C1 ZINC000840755605 671901581 /nfs/dbraw/zinc/90/15/81/671901581.db2.gz VLABLVILEGFGNU-QWHCGFSZSA-N 1 3 300.472 0.218 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000841050937 671910156 /nfs/dbraw/zinc/91/01/56/671910156.db2.gz KZQBFZMXVKXYPN-CYBMUJFWSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000842014852 671974303 /nfs/dbraw/zinc/97/43/03/671974303.db2.gz FRDLSYCUGDHTAF-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CCCCC1 ZINC000842016020 671974530 /nfs/dbraw/zinc/97/45/30/671974530.db2.gz QNUIWBCLIMPVCE-WMLDXEAASA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000842099168 671981949 /nfs/dbraw/zinc/98/19/49/671981949.db2.gz XZHFHCMPMGXLFM-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842097271 671982099 /nfs/dbraw/zinc/98/20/99/671982099.db2.gz ITBKNNSQULJZNE-SHARSMKWSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842175188 671989296 /nfs/dbraw/zinc/98/92/96/671989296.db2.gz OVYLCLZIBRGEEK-NFOMZHRRSA-N 1 3 324.469 0.705 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000843261318 672076808 /nfs/dbraw/zinc/07/68/08/672076808.db2.gz IJYHKMNNJCLZNU-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO CCN1CCN(CCC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000844165214 672154422 /nfs/dbraw/zinc/15/44/22/672154422.db2.gz UXVQEZRYIWKOSK-UHFFFAOYSA-N 1 3 318.465 0.832 20 0 DCADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000846144229 672297112 /nfs/dbraw/zinc/29/71/12/672297112.db2.gz ILNAZPSLHANWBD-MPTYRVRUSA-N 1 3 322.453 0.620 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024263439 693805865 /nfs/dbraw/zinc/80/58/65/693805865.db2.gz FEPZKDPNBZUJGH-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024263439 693805867 /nfs/dbraw/zinc/80/58/67/693805867.db2.gz FEPZKDPNBZUJGH-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000953905052 685894957 /nfs/dbraw/zinc/89/49/57/685894957.db2.gz PVSSNJMUWKWHKM-CABCVRRESA-N 1 3 322.453 0.090 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC000960151724 688311894 /nfs/dbraw/zinc/31/18/94/688311894.db2.gz SNWVLJUMVNTVPI-HIFRSBDPSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961280667 688586671 /nfs/dbraw/zinc/58/66/71/688586671.db2.gz LEWWLDHVLIWIGF-GTHOZQOVSA-N 1 3 319.449 0.552 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961280667 688586675 /nfs/dbraw/zinc/58/66/75/688586675.db2.gz LEWWLDHVLIWIGF-GTHOZQOVSA-N 1 3 319.449 0.552 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3cnnn3C)C2)C1 ZINC000962309969 688880018 /nfs/dbraw/zinc/88/00/18/688880018.db2.gz QXPNOWXLZNNQMN-IYXRBSQSSA-N 1 3 320.441 0.141 20 0 DCADHO NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963420781 689048550 /nfs/dbraw/zinc/04/85/50/689048550.db2.gz YYTWWYPJLZSVEY-GJZGRUSLSA-N 1 3 322.453 0.271 20 0 DCADHO NC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963420781 689048553 /nfs/dbraw/zinc/04/85/53/689048553.db2.gz YYTWWYPJLZSVEY-GJZGRUSLSA-N 1 3 322.453 0.271 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000963955907 689113211 /nfs/dbraw/zinc/11/32/11/689113211.db2.gz VPOKUYFUDRADSH-UBHUBRDASA-N 1 3 319.409 0.200 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000963955908 689113278 /nfs/dbraw/zinc/11/32/78/689113278.db2.gz VPOKUYFUDRADSH-UXUKBGGZSA-N 1 3 319.409 0.200 20 0 DCADHO NC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172923 694317557 /nfs/dbraw/zinc/31/75/57/694317557.db2.gz IZXHQSHUCOSHSF-OAHLLOKOSA-N 1 3 322.453 0.128 20 0 DCADHO NC(=O)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172923 694317561 /nfs/dbraw/zinc/31/75/61/694317561.db2.gz IZXHQSHUCOSHSF-OAHLLOKOSA-N 1 3 322.453 0.128 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015323021 692263614 /nfs/dbraw/zinc/26/36/14/692263614.db2.gz GXCANVRQEJVMNY-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015323021 692263616 /nfs/dbraw/zinc/26/36/16/692263616.db2.gz GXCANVRQEJVMNY-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015324716 692264442 /nfs/dbraw/zinc/26/44/42/692264442.db2.gz PMZVJODZQVBVQG-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015324716 692264445 /nfs/dbraw/zinc/26/44/45/692264445.db2.gz PMZVJODZQVBVQG-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741479 692760504 /nfs/dbraw/zinc/76/05/04/692760504.db2.gz XPJRBMLQJVMVBS-DGSCNEQVSA-N 1 3 319.449 0.840 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](C[C@H](C)O)CC2 ZINC001016949983 692811190 /nfs/dbraw/zinc/81/11/90/692811190.db2.gz IAFDJROULNCCFD-FZMZJTMJSA-N 1 3 306.410 0.612 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1)C1CC1 ZINC001018966750 693300277 /nfs/dbraw/zinc/30/02/77/693300277.db2.gz RJPSENCOTXEMDW-HOCLYGCPSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019382646 693456339 /nfs/dbraw/zinc/45/63/39/693456339.db2.gz FSLCFVPBQKPGCD-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019382646 693456341 /nfs/dbraw/zinc/45/63/41/693456341.db2.gz FSLCFVPBQKPGCD-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001019383529 693457315 /nfs/dbraw/zinc/45/73/15/693457315.db2.gz HCEZUALAKAUPLS-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001019439010 693474721 /nfs/dbraw/zinc/47/47/21/693474721.db2.gz ZYYMYNUSVXEYLS-LBPRGKRZSA-N 1 3 322.800 0.693 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001019560676 693522630 /nfs/dbraw/zinc/52/26/30/693522630.db2.gz RXUABWRXQPQMRN-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001019653596 693555676 /nfs/dbraw/zinc/55/56/76/693555676.db2.gz NISKMKJCGNTPMU-STQMWFEESA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001019653596 693555680 /nfs/dbraw/zinc/55/56/80/693555680.db2.gz NISKMKJCGNTPMU-STQMWFEESA-N 1 3 306.414 0.145 20 0 DCADHO O=C(N1CC[C@H](NCc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC001019660012 693558766 /nfs/dbraw/zinc/55/87/66/693558766.db2.gz XVBKKPMLUSTHAT-HNNXBMFYSA-N 1 3 300.406 0.868 20 0 DCADHO COC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983510 694691247 /nfs/dbraw/zinc/69/12/47/694691247.db2.gz YOHBKZZGZCWYBV-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO COC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983510 694691248 /nfs/dbraw/zinc/69/12/48/694691248.db2.gz YOHBKZZGZCWYBV-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO CCN1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816016 694785435 /nfs/dbraw/zinc/78/54/35/694785435.db2.gz RUGYVEQAANOBGE-OAHLLOKOSA-N 1 3 323.441 0.285 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C ZINC001074877975 694928005 /nfs/dbraw/zinc/92/80/05/694928005.db2.gz UTUBVEWEVFFUKH-DZKIICNBSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3ccnn3C)[C@@H]2C)C1 ZINC001074878153 694928159 /nfs/dbraw/zinc/92/81/59/694928159.db2.gz CVDVDMNWLQARCV-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3ccnn3C)[C@@H]2C)C1 ZINC001074878153 694928160 /nfs/dbraw/zinc/92/81/60/694928160.db2.gz CVDVDMNWLQARCV-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001074882768 694928467 /nfs/dbraw/zinc/92/84/67/694928467.db2.gz BUZCQBKEWRRMCE-MELADBBJSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075042568 694935756 /nfs/dbraw/zinc/93/57/56/694935756.db2.gz ZDSRZMRJMSYMME-UBHSHLNASA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075042568 694935757 /nfs/dbraw/zinc/93/57/57/694935757.db2.gz ZDSRZMRJMSYMME-UBHSHLNASA-N 1 3 320.441 0.534 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)cc1 ZINC001076364897 695016946 /nfs/dbraw/zinc/01/69/46/695016946.db2.gz YNJKMVQULFQLMU-DLBZAZTESA-N 1 3 317.433 0.887 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076628323 695033414 /nfs/dbraw/zinc/03/34/14/695033414.db2.gz IIBNPDGPKIUIRK-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076628323 695033415 /nfs/dbraw/zinc/03/34/15/695033415.db2.gz IIBNPDGPKIUIRK-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CCC[NH2+][C@@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001571269546 1162689397 /nfs/dbraw/zinc/68/93/97/1162689397.db2.gz BERUHCAYZWFMTB-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001571379917 1162724093 /nfs/dbraw/zinc/72/40/93/1162724093.db2.gz FMLFQMRVRVAQKM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCF ZINC001571597766 1162841685 /nfs/dbraw/zinc/84/16/85/1162841685.db2.gz TUPCEHZFJOWALT-UONOGXRCSA-N 1 3 303.422 0.629 20 0 DCADHO CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CCCN1C ZINC001691277995 1157628030 /nfs/dbraw/zinc/62/80/30/1157628030.db2.gz PLWMONNOXSRBIJ-AWEZNQCLSA-N 1 3 306.410 0.028 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001755007192 1157905435 /nfs/dbraw/zinc/90/54/35/1157905435.db2.gz OCHRLKWGIYJDEG-AWEZNQCLSA-N 1 3 313.442 0.324 20 0 DCADHO COCC[C@@H]1CNCCN1C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC001649129552 1158730154 /nfs/dbraw/zinc/73/01/54/1158730154.db2.gz CSQNLVAWLXAWRT-ZBFHGGJFSA-N 1 3 303.406 0.710 20 0 DCADHO CN(CC1CC[NH+](C)CC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001771779759 1158768624 /nfs/dbraw/zinc/76/86/24/1158768624.db2.gz LGCKJHQTHAQQBT-UHFFFAOYSA-N 1 3 322.413 0.124 20 0 DCADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001649157225 1158834997 /nfs/dbraw/zinc/83/49/97/1158834997.db2.gz LWOUTMJUZRVOBC-VVLHAWIVSA-N 1 3 321.465 0.680 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001720316630 1159006509 /nfs/dbraw/zinc/00/65/09/1159006509.db2.gz HUQNRLLRQIRATA-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001439039762 1159277498 /nfs/dbraw/zinc/27/74/98/1159277498.db2.gz ACRAMCIUXRRRPG-CABCVRRESA-N 1 3 308.426 0.235 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C(C)C ZINC001456798774 1159762412 /nfs/dbraw/zinc/76/24/12/1159762412.db2.gz DSWRGUPXWGTMJJ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C(C)C ZINC001456798774 1159762418 /nfs/dbraw/zinc/76/24/18/1159762418.db2.gz DSWRGUPXWGTMJJ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001566852586 1160168337 /nfs/dbraw/zinc/16/83/37/1160168337.db2.gz ZMGLZXUFZKEABE-ZENOOKHLSA-N 1 3 315.433 0.818 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N1CCC1 ZINC001567610467 1160439043 /nfs/dbraw/zinc/43/90/43/1160439043.db2.gz BDMGQHPBTLJLLZ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](C[NH2+]CCO[C@@H]1CC1(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001568302484 1160625446 /nfs/dbraw/zinc/62/54/46/1160625446.db2.gz AUMBBAJEDUMINT-CMPLNLGQSA-N 1 3 316.352 0.813 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568743386 1160756561 /nfs/dbraw/zinc/75/65/61/1160756561.db2.gz IAWIGTPRKMZDJW-INIZCTEOSA-N 1 3 319.453 0.700 20 0 DCADHO COc1ccc(C[C@](C)(CO)[NH2+]C[C@]2(O)CCCNC2)cc1 ZINC001574031202 1163627202 /nfs/dbraw/zinc/62/72/02/1163627202.db2.gz TUZGTAQRHHCVBI-SJORKVTESA-N 1 3 308.422 0.693 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001575339287 1163981974 /nfs/dbraw/zinc/98/19/74/1163981974.db2.gz BIZFDUJOCBMGED-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCc1c[nH]nn1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001575698114 1164110551 /nfs/dbraw/zinc/11/05/51/1164110551.db2.gz VEMCWOOOSZGUIO-RYUDHWBXSA-N 1 3 306.414 0.416 20 0 DCADHO CC(C)O[C@]1(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCOC1 ZINC001575749493 1164133833 /nfs/dbraw/zinc/13/38/33/1164133833.db2.gz GNCYRFJCJCLKDX-HOCLYGCPSA-N 1 3 313.442 0.357 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1O)N(C)Cc1ccccc1 ZINC001576021619 1164214003 /nfs/dbraw/zinc/21/40/03/1164214003.db2.gz GSBCCQSFSFKEPU-FVQBIDKESA-N 1 3 320.437 0.529 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001576607551 1164409814 /nfs/dbraw/zinc/40/98/14/1164409814.db2.gz YXTXTHAUFZWRSD-IPYPFGDCSA-N 1 3 310.442 0.761 20 0 DCADHO CN(C)C1(C(=O)NCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001577117066 1164606096 /nfs/dbraw/zinc/60/60/96/1164606096.db2.gz VLVCQCUZEVGROU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001577117066 1164606100 /nfs/dbraw/zinc/60/61/00/1164606100.db2.gz VLVCQCUZEVGROU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CCN(c2ncnc3c2ncn3C2C[NH2+]C2)CC1 ZINC001577536105 1164716759 /nfs/dbraw/zinc/71/67/59/1164716759.db2.gz OEJNLFGNTXCJGA-UHFFFAOYSA-N 1 3 301.398 0.503 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@H](NCc2c[nH]nn2)C1 ZINC001577828125 1164806029 /nfs/dbraw/zinc/80/60/29/1164806029.db2.gz PCUJYKBOOBLXOP-AWEZNQCLSA-N 1 3 320.441 0.761 20 0 DCADHO CCOC1CC(O)(CNCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001578093617 1164922226 /nfs/dbraw/zinc/92/22/26/1164922226.db2.gz IFDANMJCJPKJEC-GRTSSRMGSA-N 1 3 309.414 0.222 20 0 DCADHO C[NH+](C)CCN1CCN(Cc2cc(C(C)(C)N)no2)CC1=O ZINC001578418952 1165008432 /nfs/dbraw/zinc/00/84/32/1165008432.db2.gz RVLZZTGIFAQBMZ-UHFFFAOYSA-N 1 3 309.414 0.074 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001578641436 1165074464 /nfs/dbraw/zinc/07/44/64/1165074464.db2.gz SBNOGANAWXKJSH-GOEBONIOSA-N 1 3 307.438 0.793 20 0 DCADHO COCC[C@@H]1CNCCN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001579011322 1165188654 /nfs/dbraw/zinc/18/86/54/1165188654.db2.gz XSVOGBAZLUYOLY-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[C@@H]1CNCCN1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC001579011322 1165188656 /nfs/dbraw/zinc/18/86/56/1165188656.db2.gz XSVOGBAZLUYOLY-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001579375066 1165289538 /nfs/dbraw/zinc/28/95/38/1165289538.db2.gz AVEGPZQHMFWLDN-ZIAGYGMSSA-N 1 3 315.483 0.826 20 0 DCADHO Cn1ccc(C2CCN(C[C@@H]3CC4(C[NH2+]C4)C(=O)O3)CC2)n1 ZINC001579971173 1165455355 /nfs/dbraw/zinc/45/53/55/1165455355.db2.gz KYFKDARLGMOQKM-ZDUSSCGKSA-N 1 3 304.394 0.505 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC001580135345 1165513187 /nfs/dbraw/zinc/51/31/87/1165513187.db2.gz AUBGEUKUHKPFBN-HOTGVXAUSA-N 1 3 305.422 0.519 20 0 DCADHO [NH3+][C@H]1CC[C@H](NS(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC001580419815 1165598313 /nfs/dbraw/zinc/59/83/13/1165598313.db2.gz NPGLNLUBDYRPLQ-IHRRRGAJSA-N 1 3 301.456 0.662 20 0 DCADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@H](O)c2ccccc2)C1 ZINC001580859079 1165741105 /nfs/dbraw/zinc/74/11/05/1165741105.db2.gz TVVWQKHDBWXPOG-FZKCQIBNSA-N 1 3 317.389 0.587 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001583448343 1166256504 /nfs/dbraw/zinc/25/65/04/1166256504.db2.gz LYEWLZBAVLKPFF-MFHOCJEASA-N 1 3 324.469 0.600 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001583448343 1166256507 /nfs/dbraw/zinc/25/65/07/1166256507.db2.gz LYEWLZBAVLKPFF-MFHOCJEASA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001583560483 1166269927 /nfs/dbraw/zinc/26/99/27/1166269927.db2.gz IJDXVYMOWNAXLE-WSNITJDQSA-N 1 3 310.442 0.211 20 0 DCADHO C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591176864 1167129541 /nfs/dbraw/zinc/12/95/41/1167129541.db2.gz LYOAYSJIKIIAKK-HNNXBMFYSA-N 1 3 316.409 0.832 20 0 DCADHO C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591176864 1167129544 /nfs/dbraw/zinc/12/95/44/1167129544.db2.gz LYOAYSJIKIIAKK-HNNXBMFYSA-N 1 3 316.409 0.832 20 0 DCADHO COC1CC[NH+](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001591359345 1167233960 /nfs/dbraw/zinc/23/39/60/1167233960.db2.gz VYRHMMMBNQIHHS-UHFFFAOYSA-N 1 3 317.397 0.515 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCC(=O)N3)CC2)CC1 ZINC001645758414 1172127358 /nfs/dbraw/zinc/12/73/58/1172127358.db2.gz KIVAAZNYXALKLL-OAHLLOKOSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001645847869 1172159911 /nfs/dbraw/zinc/15/99/11/1172159911.db2.gz RMHUJFUJISEWBW-GJZGRUSLSA-N 1 3 313.490 0.557 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCC(=O)N3)CC2)CC1 ZINC001645972403 1172200982 /nfs/dbraw/zinc/20/09/82/1172200982.db2.gz AZMNIZKOUSAPBZ-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001646120768 1172262500 /nfs/dbraw/zinc/26/25/00/1172262500.db2.gz XPTVCOKLRTUBHC-BWZBUEFSSA-N 1 3 303.275 0.955 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001646173643 1172278763 /nfs/dbraw/zinc/27/87/63/1172278763.db2.gz XZXIQXZJGVUXTA-TZMCWYRMSA-N 1 3 320.393 0.399 20 0 DCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001646794400 1172536095 /nfs/dbraw/zinc/53/60/95/1172536095.db2.gz CTHVCHNGZXLABL-MQIPJXDCSA-N 1 3 305.426 0.747 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC1 ZINC001646814698 1172546516 /nfs/dbraw/zinc/54/65/16/1172546516.db2.gz JZPADTNNICMPKY-RDJZCZTQSA-N 1 3 308.470 0.744 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001647273188 1172777904 /nfs/dbraw/zinc/77/79/04/1172777904.db2.gz AAZIWCARTKACJY-LLVKDONJSA-N 1 3 322.413 0.124 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001647273188 1172777917 /nfs/dbraw/zinc/77/79/17/1172777917.db2.gz AAZIWCARTKACJY-LLVKDONJSA-N 1 3 322.413 0.124 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO[C@@H]1CCOC1 ZINC001647306406 1172800042 /nfs/dbraw/zinc/80/00/42/1172800042.db2.gz QOQTVVVBJXGZJV-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO[C@@H]1CCOC1 ZINC001647306406 1172800046 /nfs/dbraw/zinc/80/00/46/1172800046.db2.gz QOQTVVVBJXGZJV-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccn(-c2ccncc2)n1 ZINC001647328633 1172814818 /nfs/dbraw/zinc/81/48/18/1172814818.db2.gz RVDBIOLKSLLDSO-ZDUSSCGKSA-N 1 3 301.350 0.064 20 0 DCADHO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccn(-c2ccncc2)n1 ZINC001647328633 1172814821 /nfs/dbraw/zinc/81/48/21/1172814821.db2.gz RVDBIOLKSLLDSO-ZDUSSCGKSA-N 1 3 301.350 0.064 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc21 ZINC001650346495 1173583514 /nfs/dbraw/zinc/58/35/14/1173583514.db2.gz JCLVXOQBUXZEPM-XVKPBYJWSA-N 1 3 305.304 0.686 20 0 DCADHO CCO[C@@H]1CN(C(=O)c2ccc3c(c2)OCCNC3)C[C@H]1C[NH3+] ZINC001650365311 1173594653 /nfs/dbraw/zinc/59/46/53/1173594653.db2.gz ZWSIAXKCQZUEPR-GDBMZVCRSA-N 1 3 319.405 0.604 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NCC34CC(C3)C[NH2+]4)ccc2NC1=O ZINC001650369202 1173597071 /nfs/dbraw/zinc/59/70/71/1173597071.db2.gz QVSMHQUFEFCJBG-OPEGHZNSSA-N 1 3 314.389 0.380 20 0 DCADHO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@@H]1CC[C@@H](C2CC2)N1 ZINC001650428301 1173637057 /nfs/dbraw/zinc/63/70/57/1173637057.db2.gz BHFPTEVUKCRDRC-STQMWFEESA-N 1 3 318.425 0.173 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001664093704 1174396040 /nfs/dbraw/zinc/39/60/40/1174396040.db2.gz YGLDXSIKEFEIBL-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309681 1174420191 /nfs/dbraw/zinc/42/01/91/1174420191.db2.gz YVASXNRNZIZLCL-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO COCCCCN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001665283827 1174501404 /nfs/dbraw/zinc/50/14/04/1174501404.db2.gz JRRFXNVUDOBDQM-INIZCTEOSA-N 1 3 309.454 0.803 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214692 1174769595 /nfs/dbraw/zinc/76/95/95/1174769595.db2.gz NIBRZXLQXVWUOZ-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668214692 1174769598 /nfs/dbraw/zinc/76/95/98/1174769598.db2.gz NIBRZXLQXVWUOZ-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CCNCC(=O)N[C@H](C)C1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668645033 1174815423 /nfs/dbraw/zinc/81/54/23/1174815423.db2.gz HYKJNCCWWMLMMD-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNCC(=O)N[C@H](C)C1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668645033 1174815426 /nfs/dbraw/zinc/81/54/26/1174815426.db2.gz HYKJNCCWWMLMMD-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001669207881 1174910288 /nfs/dbraw/zinc/91/02/88/1174910288.db2.gz PWGSOXHTBGDVKC-NMONBKHDSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNC(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC001687037411 1176267867 /nfs/dbraw/zinc/26/78/67/1176267867.db2.gz QCLFQPZCCWSLTN-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNC(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC001687037411 1176267871 /nfs/dbraw/zinc/26/78/71/1176267871.db2.gz QCLFQPZCCWSLTN-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)Nc1ccon1)NC(=O)[C@@H]1CCCN1C ZINC001699089329 1177843273 /nfs/dbraw/zinc/84/32/73/1177843273.db2.gz YNBATOVUFLDYIE-NEPJUHHUSA-N 1 3 323.397 0.192 20 0 DCADHO CCN(CCNCC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699217102 1177949167 /nfs/dbraw/zinc/94/91/67/1177949167.db2.gz QUDMULXFVIHMDQ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001699217102 1177949177 /nfs/dbraw/zinc/94/91/77/1177949177.db2.gz QUDMULXFVIHMDQ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001699343191 1178086774 /nfs/dbraw/zinc/08/67/74/1178086774.db2.gz ZBZMJCVXFLTWAL-RWCKICOTSA-N 1 3 324.469 0.361 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001699343191 1178086782 /nfs/dbraw/zinc/08/67/82/1178086782.db2.gz ZBZMJCVXFLTWAL-RWCKICOTSA-N 1 3 324.469 0.361 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001700617585 1178681498 /nfs/dbraw/zinc/68/14/98/1178681498.db2.gz SMSSTOMOJXGBDE-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001700676060 1178702243 /nfs/dbraw/zinc/70/22/43/1178702243.db2.gz UURUYKILCUGMIZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C[C@H](O)C[NH2+]CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001700950597 1178827296 /nfs/dbraw/zinc/82/72/96/1178827296.db2.gz FRLLBDSCRPGARA-MRXNPFEDSA-N 1 3 316.405 0.604 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001703224652 1179404096 /nfs/dbraw/zinc/40/40/96/1179404096.db2.gz JQXVMHGXTVXWMF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001703224652 1179404100 /nfs/dbraw/zinc/40/41/00/1179404100.db2.gz JQXVMHGXTVXWMF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1CC[NH2+]CC(N)=O ZINC001707131311 1180420653 /nfs/dbraw/zinc/42/06/53/1180420653.db2.gz FAFNKTPQDXEHGS-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001720135666 1180538731 /nfs/dbraw/zinc/53/87/31/1180538731.db2.gz IWFOCCMXMQTHJM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001720135666 1180538740 /nfs/dbraw/zinc/53/87/40/1180538740.db2.gz IWFOCCMXMQTHJM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)CCC[NH+](C)C ZINC001720135465 1180538823 /nfs/dbraw/zinc/53/88/23/1180538823.db2.gz FRWAXWMXZCDTCO-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CC[C@H]([N@H+](CC)CCCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001713009373 1180620396 /nfs/dbraw/zinc/62/03/96/1180620396.db2.gz YLBCGNZLIPQMLV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H]([N@@H+](CC)CCCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001713009373 1180620401 /nfs/dbraw/zinc/62/04/01/1180620401.db2.gz YLBCGNZLIPQMLV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(C[NH+]1CCCC1)NC[C@H]1CCCN1CCOCC(F)F ZINC001713519774 1180892001 /nfs/dbraw/zinc/89/20/01/1180892001.db2.gz HPVSGXBSIIYPED-CYBMUJFWSA-N 1 3 319.396 0.945 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)CC[NH+]1CCCCC1 ZINC001714797552 1181551430 /nfs/dbraw/zinc/55/14/30/1181551430.db2.gz LQNNLWILWWFDRA-UHFFFAOYSA-N 1 3 307.442 0.844 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnnn1C)N(C)C ZINC001715679733 1181939373 /nfs/dbraw/zinc/93/93/73/1181939373.db2.gz WOBLTKSDFKUSKS-TZMCWYRMSA-N 1 3 310.446 0.386 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001715840909 1182042056 /nfs/dbraw/zinc/04/20/56/1182042056.db2.gz JLHBHMBACUJHOG-OOPLNXAUSA-N 1 3 310.442 0.243 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001715840909 1182042063 /nfs/dbraw/zinc/04/20/63/1182042063.db2.gz JLHBHMBACUJHOG-OOPLNXAUSA-N 1 3 310.442 0.243 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001716008370 1182143110 /nfs/dbraw/zinc/14/31/10/1182143110.db2.gz BRKYZMNTIZTLJE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCCCN2C)C1=O ZINC001716310863 1182323686 /nfs/dbraw/zinc/32/36/86/1182323686.db2.gz ILRAEWIGRXTEOJ-ZYOQUQOHSA-N 1 3 322.453 0.354 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001716788414 1182526427 /nfs/dbraw/zinc/52/64/27/1182526427.db2.gz HROCONTWDPCIDA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccnn1C ZINC001716791106 1182527418 /nfs/dbraw/zinc/52/74/18/1182527418.db2.gz XXPNFZAQBDVVDW-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717927126 1183066348 /nfs/dbraw/zinc/06/63/48/1183066348.db2.gz LAHJPHNJFQVTPJ-DOMZBBRYSA-N 1 3 321.412 0.577 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001717927126 1183066353 /nfs/dbraw/zinc/06/63/53/1183066353.db2.gz LAHJPHNJFQVTPJ-DOMZBBRYSA-N 1 3 321.412 0.577 20 0 DCADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CN1CCCC1 ZINC001720547046 1183650963 /nfs/dbraw/zinc/65/09/63/1183650963.db2.gz UBTAFTKRHYKOMK-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)CN2CCCC2)CC[N@@H+]1C ZINC001721857709 1184083209 /nfs/dbraw/zinc/08/32/09/1184083209.db2.gz ASJDQFPNZMXHSX-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CNC(=O)CN2CCCC2)CC[N@H+]1C ZINC001721857709 1184083216 /nfs/dbraw/zinc/08/32/16/1184083216.db2.gz ASJDQFPNZMXHSX-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO CCn1nncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001722990540 1184241472 /nfs/dbraw/zinc/24/14/72/1184241472.db2.gz LPBWTRPTEJWXGS-CQSZACIVSA-N 1 3 308.430 0.330 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001724951244 1184634014 /nfs/dbraw/zinc/63/40/14/1184634014.db2.gz VQRZLXYQMZIVEZ-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001725608888 1184911064 /nfs/dbraw/zinc/91/10/64/1184911064.db2.gz SOQGILXXUHECOG-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC1CCN(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001731759704 1185471824 /nfs/dbraw/zinc/47/18/24/1185471824.db2.gz VSOKEBFTNCAIMS-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CC1CCN(CC(=O)NCCC[C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001731759704 1185471827 /nfs/dbraw/zinc/47/18/27/1185471827.db2.gz VSOKEBFTNCAIMS-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CC[NH2+]CCOC[C@@H]1CCCO1)C(=O)[C@@H]1CCCN1C ZINC001731897939 1185557138 /nfs/dbraw/zinc/55/71/38/1185557138.db2.gz HBJZGYULPVSQAB-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001731952182 1185602557 /nfs/dbraw/zinc/60/25/57/1185602557.db2.gz IMECXDUIDWKRMQ-SWLSCSKDSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)[N@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)N(C)C ZINC001732015295 1185637058 /nfs/dbraw/zinc/63/70/58/1185637058.db2.gz ZIKJTPLKQHZQRQ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)N(C)C ZINC001732015295 1185637061 /nfs/dbraw/zinc/63/70/61/1185637061.db2.gz ZIKJTPLKQHZQRQ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001732747522 1185947338 /nfs/dbraw/zinc/94/73/38/1185947338.db2.gz RQNMPRQXLGFFNX-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO C[C@H]1CCN(CC(=O)N(CC[NH2+]CCO)Cc2ccccc2)C1 ZINC001733572976 1186337681 /nfs/dbraw/zinc/33/76/81/1186337681.db2.gz RYTHQBWGWIAANM-INIZCTEOSA-N 1 3 319.449 0.939 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC/C=C\Cl)C2)C1 ZINC001733751600 1186431957 /nfs/dbraw/zinc/43/19/57/1186431957.db2.gz YCNKQBSYAFZIQJ-WINFFXRMSA-N 1 3 301.818 0.508 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC/C=C\Cl)C2)C1 ZINC001733751600 1186431958 /nfs/dbraw/zinc/43/19/58/1186431958.db2.gz YCNKQBSYAFZIQJ-WINFFXRMSA-N 1 3 301.818 0.508 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001736750790 1187085757 /nfs/dbraw/zinc/08/57/57/1187085757.db2.gz ZXOLEXKRIFPWCI-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001736750790 1187085761 /nfs/dbraw/zinc/08/57/61/1187085761.db2.gz ZXOLEXKRIFPWCI-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001736809871 1187117607 /nfs/dbraw/zinc/11/76/07/1187117607.db2.gz XDWFHJWKAMUGIH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001736809871 1187117609 /nfs/dbraw/zinc/11/76/09/1187117609.db2.gz XDWFHJWKAMUGIH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001742516304 1187998398 /nfs/dbraw/zinc/99/83/98/1187998398.db2.gz RIGOPPMOBMFKAJ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001742516304 1187998401 /nfs/dbraw/zinc/99/84/01/1187998401.db2.gz RIGOPPMOBMFKAJ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCNC1=O ZINC001752182317 1188399290 /nfs/dbraw/zinc/39/92/90/1188399290.db2.gz XFTLFXTZQXRTFL-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCNC1=O ZINC001752182317 1188399295 /nfs/dbraw/zinc/39/92/95/1188399295.db2.gz XFTLFXTZQXRTFL-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001752342369 1188415633 /nfs/dbraw/zinc/41/56/33/1188415633.db2.gz ZAZCDZIUWNJLJM-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO COCCOCCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001753115121 1188504398 /nfs/dbraw/zinc/50/43/98/1188504398.db2.gz JZTIIFXSFBOPFY-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753115121 1188504400 /nfs/dbraw/zinc/50/44/00/1188504400.db2.gz JZTIIFXSFBOPFY-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CN(CCNCC(=O)N1CCCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001753227246 1188541797 /nfs/dbraw/zinc/54/17/97/1188541797.db2.gz AQWDVCIUBDHVOL-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753967424 1188699236 /nfs/dbraw/zinc/69/92/36/1188699236.db2.gz TWFFFMYVPLPSFM-NQBHXWOUSA-N 1 3 311.455 0.863 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753967424 1188699237 /nfs/dbraw/zinc/69/92/37/1188699237.db2.gz TWFFFMYVPLPSFM-NQBHXWOUSA-N 1 3 311.455 0.863 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001754000302 1188707587 /nfs/dbraw/zinc/70/75/87/1188707587.db2.gz XUJFYNOAMNVLDY-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001754079654 1188730485 /nfs/dbraw/zinc/73/04/85/1188730485.db2.gz GPZRUZKKZNAUIZ-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001754079654 1188730486 /nfs/dbraw/zinc/73/04/86/1188730486.db2.gz GPZRUZKKZNAUIZ-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CN(CCC[NH2+]CCO[C@H]1CC1(F)F)C(=O)[C@@H]1CCCN1C ZINC001754363755 1188832430 /nfs/dbraw/zinc/83/24/30/1188832430.db2.gz ZUJBJXHGBBMTHQ-STQMWFEESA-N 1 3 319.396 0.943 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001755424755 1189109119 /nfs/dbraw/zinc/10/91/19/1189109119.db2.gz JUODEZSBFDDDMM-PHZGNYQRSA-N 1 3 309.454 0.801 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001755424755 1189109121 /nfs/dbraw/zinc/10/91/21/1189109121.db2.gz JUODEZSBFDDDMM-PHZGNYQRSA-N 1 3 309.454 0.801 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]CCn1cccn1)C1CC1 ZINC001755567547 1189149147 /nfs/dbraw/zinc/14/91/47/1189149147.db2.gz QJWJCSSUZUKUMG-OAHLLOKOSA-N 1 3 316.409 0.676 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CC1=CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001755789989 1189214087 /nfs/dbraw/zinc/21/40/87/1189214087.db2.gz YQTCQYTYWWESAW-HNNXBMFYSA-N 1 3 306.410 0.862 20 0 DCADHO CN1CCN(C2CCN(C(=O)CCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC001771856505 1190529518 /nfs/dbraw/zinc/52/95/18/1190529518.db2.gz QDKJSFXNDUAJHK-UHFFFAOYSA-N 1 3 320.481 0.757 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncoc3CN)C2)CC1 ZINC001771873297 1190538229 /nfs/dbraw/zinc/53/82/29/1190538229.db2.gz LJNYEMJXYAQDRD-LLVKDONJSA-N 1 3 307.398 0.032 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ncoc3CN)C2)CC1 ZINC001771873297 1190538233 /nfs/dbraw/zinc/53/82/33/1190538233.db2.gz LJNYEMJXYAQDRD-LLVKDONJSA-N 1 3 307.398 0.032 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475146 751412392 /nfs/dbraw/zinc/41/23/92/751412392.db2.gz ROGUPQIPQLTUGL-ZFWWWQNUSA-N 1 3 324.469 0.195 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@H]2O)C1 ZINC001077553382 751445792 /nfs/dbraw/zinc/44/57/92/751445792.db2.gz IXNMQDWKALPIFZ-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@H]2O)C1 ZINC001077553382 751445796 /nfs/dbraw/zinc/44/57/96/751445796.db2.gz IXNMQDWKALPIFZ-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001107038665 751785190 /nfs/dbraw/zinc/78/51/90/751785190.db2.gz CKXHHMXTHUMZJB-ZIAGYGMSSA-N 1 3 322.457 0.339 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039750 751789296 /nfs/dbraw/zinc/78/92/96/751789296.db2.gz XCUTWROYDVNVOZ-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779503 752065003 /nfs/dbraw/zinc/06/50/03/752065003.db2.gz MMQGHMHDZLHVQR-HZPDHXFCSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779503 752065006 /nfs/dbraw/zinc/06/50/06/752065006.db2.gz MMQGHMHDZLHVQR-HZPDHXFCSA-N 1 3 318.421 0.459 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001167223831 747025311 /nfs/dbraw/zinc/02/53/11/747025311.db2.gz AXMPIPORTSCYIQ-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001167232624 747031770 /nfs/dbraw/zinc/03/17/70/747031770.db2.gz KJTXTOMNBDNPKU-UONOGXRCSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001104287864 747097196 /nfs/dbraw/zinc/09/71/96/747097196.db2.gz NTEKGUKKGPVKPU-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H]([NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1)C(N)=O ZINC001100563661 747328149 /nfs/dbraw/zinc/32/81/49/747328149.db2.gz QWJBJXVPUHCPSL-RUXDESIVSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001167626459 747436160 /nfs/dbraw/zinc/43/61/60/747436160.db2.gz BKIFMQPPVMJVHH-LSDHHAIUSA-N 1 3 324.469 0.624 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]CC3CC3)cc(=O)[n-]2)C1 ZINC001087261966 747582907 /nfs/dbraw/zinc/58/29/07/747582907.db2.gz JAXFVBBPVACNRJ-GFCCVEGCSA-N 1 3 319.409 0.250 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]CC3CC3)cc(=O)[n-]2)C1 ZINC001087261966 747582913 /nfs/dbraw/zinc/58/29/13/747582913.db2.gz JAXFVBBPVACNRJ-GFCCVEGCSA-N 1 3 319.409 0.250 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001104809783 747937252 /nfs/dbraw/zinc/93/72/52/747937252.db2.gz QWZGQFFQLITTFZ-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105866 749241538 /nfs/dbraw/zinc/24/15/38/749241538.db2.gz FRLXBEUWKHLNAW-XHSDSOJGSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105866 749241540 /nfs/dbraw/zinc/24/15/40/749241540.db2.gz FRLXBEUWKHLNAW-XHSDSOJGSA-N 1 3 309.454 0.897 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088212798 749291022 /nfs/dbraw/zinc/29/10/22/749291022.db2.gz QZERUWGDVLZFGS-OWCLPIDISA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088212798 749291025 /nfs/dbraw/zinc/29/10/25/749291025.db2.gz QZERUWGDVLZFGS-OWCLPIDISA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001088327568 749370918 /nfs/dbraw/zinc/37/09/18/749370918.db2.gz QFVXFMGYDGBBQK-ZFWWWQNUSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001102101077 749958002 /nfs/dbraw/zinc/95/80/02/749958002.db2.gz MBLUKXLEGBUNFQ-JHJVBQTASA-N 1 3 312.458 0.275 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001102101077 749958005 /nfs/dbraw/zinc/95/80/05/749958005.db2.gz MBLUKXLEGBUNFQ-JHJVBQTASA-N 1 3 312.458 0.275 20 0 DCADHO COC(=O)CC(CC(=O)OC)[NH2+]C1CCN(CC2CC2)CC1 ZINC001168360496 749987909 /nfs/dbraw/zinc/98/79/09/749987909.db2.gz RELSABRFYOCZEA-UHFFFAOYSA-N 1 3 312.410 0.945 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904975338 750433362 /nfs/dbraw/zinc/43/33/62/750433362.db2.gz VNJUVRQRBSUQSD-SUMWQHHRSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCc1cnn(C)c1 ZINC001089038837 750774786 /nfs/dbraw/zinc/77/47/86/750774786.db2.gz MUWWEMBEHCBESP-KBMXLJTQSA-N 1 3 319.453 0.493 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCc1cnn(C)c1 ZINC001089038837 750774788 /nfs/dbraw/zinc/77/47/88/750774788.db2.gz MUWWEMBEHCBESP-KBMXLJTQSA-N 1 3 319.453 0.493 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001077506322 750873725 /nfs/dbraw/zinc/87/37/25/750873725.db2.gz QOSMHDWOOOIUOJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106663058 751219680 /nfs/dbraw/zinc/21/96/80/751219680.db2.gz PPRMQAJMWGXNTA-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100319509 752638057 /nfs/dbraw/zinc/63/80/57/752638057.db2.gz PLXHIELHEWEUQH-YMAMQOFZSA-N 1 3 324.469 0.432 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001168594974 752670163 /nfs/dbraw/zinc/67/01/63/752670163.db2.gz FLVZKTCBHZWSLX-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001045276326 753125230 /nfs/dbraw/zinc/12/52/30/753125230.db2.gz VLWYXAQFLIOXPX-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001045276326 753125232 /nfs/dbraw/zinc/12/52/32/753125232.db2.gz VLWYXAQFLIOXPX-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(N1CC[C@H]2CC[C@@H](C1)N2CCO)C12CCC[NH+]1CCC2 ZINC001045808977 753340774 /nfs/dbraw/zinc/34/07/74/753340774.db2.gz FBRBSWAIEAEBRO-CABCVRRESA-N 1 3 307.438 0.672 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035903 753439291 /nfs/dbraw/zinc/43/92/91/753439291.db2.gz WBAJYCTYYZTWCJ-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035903 753439295 /nfs/dbraw/zinc/43/92/95/753439295.db2.gz WBAJYCTYYZTWCJ-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C2CC[NH+](CCO)CC2)C1 ZINC001047258607 754138852 /nfs/dbraw/zinc/13/88/52/754138852.db2.gz DIEPTMHJQQIGCW-OAHLLOKOSA-N 1 3 320.437 0.895 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001128779182 754273786 /nfs/dbraw/zinc/27/37/86/754273786.db2.gz RCYGDTNYSZLKCR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001128779182 754273791 /nfs/dbraw/zinc/27/37/91/754273791.db2.gz RCYGDTNYSZLKCR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001168755694 754426511 /nfs/dbraw/zinc/42/65/11/754426511.db2.gz PSPFTQIRMUKAFG-NSHDSACASA-N 1 3 313.364 0.737 20 0 DCADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063728 754597770 /nfs/dbraw/zinc/59/77/70/754597770.db2.gz FTAJKSCQCJAUHH-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832509 754966275 /nfs/dbraw/zinc/96/62/75/754966275.db2.gz BZVVUMSJTALBHX-QXSJWSMHSA-N 1 3 307.438 0.648 20 0 DCADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832509 754966277 /nfs/dbraw/zinc/96/62/77/754966277.db2.gz BZVVUMSJTALBHX-QXSJWSMHSA-N 1 3 307.438 0.648 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049058078 755095283 /nfs/dbraw/zinc/09/52/83/755095283.db2.gz VUEHPJCMPRGMEK-APIJFGDWSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049058078 755095287 /nfs/dbraw/zinc/09/52/87/755095287.db2.gz VUEHPJCMPRGMEK-APIJFGDWSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001049058081 755095986 /nfs/dbraw/zinc/09/59/86/755095986.db2.gz VUEHPJCMPRGMEK-XQLPTFJDSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001049058081 755095991 /nfs/dbraw/zinc/09/59/91/755095991.db2.gz VUEHPJCMPRGMEK-XQLPTFJDSA-N 1 3 322.453 0.125 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001168763156 755111538 /nfs/dbraw/zinc/11/15/38/755111538.db2.gz KZFBDFPBRQBRAF-ZDUSSCGKSA-N 1 3 321.487 0.105 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1)N(C)C ZINC001063738229 755255772 /nfs/dbraw/zinc/25/57/72/755255772.db2.gz JXEKJQJGZITLFP-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1)N(C)C ZINC001063738229 755255773 /nfs/dbraw/zinc/25/57/73/755255773.db2.gz JXEKJQJGZITLFP-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCO)CC[N@@H+]1C ZINC001097104288 755597485 /nfs/dbraw/zinc/59/74/85/755597485.db2.gz NMSADLGCMCAVFD-JKJDWNRSSA-N 1 3 309.454 0.821 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCO)CC[N@H+]1C ZINC001097104288 755597487 /nfs/dbraw/zinc/59/74/87/755597487.db2.gz NMSADLGCMCAVFD-JKJDWNRSSA-N 1 3 309.454 0.821 20 0 DCADHO CCN(CC)CC(=O)N(CC)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079816734 756007069 /nfs/dbraw/zinc/00/70/69/756007069.db2.gz QJOCSMVTKSBYJN-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)CC[NH+](C)C)C1 ZINC001080442004 756214625 /nfs/dbraw/zinc/21/46/25/756214625.db2.gz HWKYOVDHLLZEII-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001080444357 756215863 /nfs/dbraw/zinc/21/58/63/756215863.db2.gz JGJLTRBCSCIGBQ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001082724255 757246019 /nfs/dbraw/zinc/24/60/19/757246019.db2.gz SPDCWANKRHDCOB-BPLDGKMQSA-N 1 3 322.457 0.338 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC001082766664 757259701 /nfs/dbraw/zinc/25/97/01/757259701.db2.gz QAFYCALKMWYQEX-VNHYZAJKSA-N 1 3 306.410 0.815 20 0 DCADHO CCCN1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083897 757483293 /nfs/dbraw/zinc/48/32/93/757483293.db2.gz QIPSRQBLSZSEQG-HRCADAONSA-N 1 3 307.438 0.650 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001083083986 757484031 /nfs/dbraw/zinc/48/40/31/757484031.db2.gz USXMMWBTNLEVFH-YESZJQIVSA-N 1 3 319.449 0.650 20 0 DCADHO CN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050237482 757526033 /nfs/dbraw/zinc/52/60/33/757526033.db2.gz VIJPZMFMBBJWPW-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001166626339 757722021 /nfs/dbraw/zinc/72/20/21/757722021.db2.gz DLQDFNUBALCTHP-ZDUSSCGKSA-N 1 3 319.471 0.001 20 0 DCADHO COCC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050542232 757820560 /nfs/dbraw/zinc/82/05/60/757820560.db2.gz AXPRALCZWNETOM-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532611 757895803 /nfs/dbraw/zinc/89/58/03/757895803.db2.gz GHNNZQYGMASKGM-DSZOFWSKSA-N 1 3 319.449 0.791 20 0 DCADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532611 757895812 /nfs/dbraw/zinc/89/58/12/757895812.db2.gz GHNNZQYGMASKGM-DSZOFWSKSA-N 1 3 319.449 0.791 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(CCO)CCF)CC2)CC[N@@H+]1C ZINC001098371052 762656211 /nfs/dbraw/zinc/65/62/11/762656211.db2.gz GYMGBVXDZYUVAO-UKRRQHHQSA-N 1 3 315.433 0.581 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(CCO)CCF)CC2)CC[N@H+]1C ZINC001098371052 762656215 /nfs/dbraw/zinc/65/62/15/762656215.db2.gz GYMGBVXDZYUVAO-UKRRQHHQSA-N 1 3 315.433 0.581 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1)N(C)C ZINC001051830025 758975515 /nfs/dbraw/zinc/97/55/15/758975515.db2.gz JXYNHJVJLBPCHC-HOTGVXAUSA-N 1 3 320.437 0.739 20 0 DCADHO CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)c1ccn2cncc2c1 ZINC001085699365 759211176 /nfs/dbraw/zinc/21/11/76/759211176.db2.gz MDNPYZJWKYPUNO-AWEZNQCLSA-N 1 3 302.378 0.863 20 0 DCADHO CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)c1ccn2cncc2c1 ZINC001085699365 759211182 /nfs/dbraw/zinc/21/11/82/759211182.db2.gz MDNPYZJWKYPUNO-AWEZNQCLSA-N 1 3 302.378 0.863 20 0 DCADHO C[NH+](C)CCOCC(=O)NCCNCc1ccnc(Cl)c1 ZINC001147841777 767857413 /nfs/dbraw/zinc/85/74/13/767857413.db2.gz HMNDKDQNXHPSHP-UHFFFAOYSA-N 1 3 314.817 0.519 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001147877865 767870069 /nfs/dbraw/zinc/87/00/69/767870069.db2.gz OIPNRGOMBJHVGJ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001147877865 767870076 /nfs/dbraw/zinc/87/00/76/767870076.db2.gz OIPNRGOMBJHVGJ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877925 767871114 /nfs/dbraw/zinc/87/11/14/767871114.db2.gz POCSIRLTPRWKDB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877925 767871122 /nfs/dbraw/zinc/87/11/22/767871122.db2.gz POCSIRLTPRWKDB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001147899852 767878144 /nfs/dbraw/zinc/87/81/44/767878144.db2.gz AOSZUQHSUBDFOO-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147899852 767878151 /nfs/dbraw/zinc/87/81/51/767878151.db2.gz AOSZUQHSUBDFOO-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1=O ZINC001129327469 759827726 /nfs/dbraw/zinc/82/77/26/759827726.db2.gz ICDAJODFHWPFNZ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1=O ZINC001129327469 759827737 /nfs/dbraw/zinc/82/77/37/759827737.db2.gz ICDAJODFHWPFNZ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000114 767894079 /nfs/dbraw/zinc/89/40/79/767894079.db2.gz LAHMUJWISBFKQB-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086216893 759857381 /nfs/dbraw/zinc/85/73/81/759857381.db2.gz FOZBBUBALPZFJH-APIJFGDWSA-N 1 3 324.469 0.608 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086364710 760106162 /nfs/dbraw/zinc/10/61/62/760106162.db2.gz NZWGSDUIHHUACJ-TUVASFSCSA-N 1 3 322.453 0.232 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCCOC)C[C@@H]1O ZINC001100085918 760198721 /nfs/dbraw/zinc/19/87/21/760198721.db2.gz STJFVFVNEDUAEP-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCCOC)C[C@@H]1O ZINC001100085918 760198727 /nfs/dbraw/zinc/19/87/27/760198727.db2.gz STJFVFVNEDUAEP-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CN(CCCN(C)C(=O)Cc1c[nH]cn1)C(=O)CCC[NH+](C)C ZINC001068043925 760208096 /nfs/dbraw/zinc/20/80/96/760208096.db2.gz UWPKTOVMNSCYFQ-UHFFFAOYSA-N 1 3 323.441 0.601 20 0 DCADHO CCOCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351814 767968410 /nfs/dbraw/zinc/96/84/10/767968410.db2.gz QOPLAQKHDKHIMF-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO CCOCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148351814 767968412 /nfs/dbraw/zinc/96/84/12/767968412.db2.gz QOPLAQKHDKHIMF-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001148365125 767973963 /nfs/dbraw/zinc/97/39/63/767973963.db2.gz HSRUYKWNWVEVHF-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO COCCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126007 760967139 /nfs/dbraw/zinc/96/71/39/760967139.db2.gz AAOQKXJGONTKKR-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC(C)(C)C ZINC001129363038 761045525 /nfs/dbraw/zinc/04/55/25/761045525.db2.gz DOMDQFKEGWVGMM-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831216 761069336 /nfs/dbraw/zinc/06/93/36/761069336.db2.gz ASHISCWCWNFDQG-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070209181 761136427 /nfs/dbraw/zinc/13/64/27/761136427.db2.gz PSUJBTWPAXJRSR-OLZOCXBDSA-N 1 3 306.414 0.124 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001148578011 768019294 /nfs/dbraw/zinc/01/92/94/768019294.db2.gz NJGYYJPLKNJCEK-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001148578011 768019298 /nfs/dbraw/zinc/01/92/98/768019298.db2.gz NJGYYJPLKNJCEK-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001176284262 770062367 /nfs/dbraw/zinc/06/23/67/770062367.db2.gz DZJOIXYDGMEWCM-QWHCGFSZSA-N 1 3 300.447 0.467 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112567959 761696231 /nfs/dbraw/zinc/69/62/31/761696231.db2.gz QKAMASBJOQUUHS-RDJZCZTQSA-N 1 3 311.470 0.929 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)C1CC1 ZINC001099262950 762848906 /nfs/dbraw/zinc/84/89/06/762848906.db2.gz MJLQCFURDCHANV-IJLUTSLNSA-N 1 3 323.359 0.298 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1)C1CC1 ZINC001129444448 762937152 /nfs/dbraw/zinc/93/71/52/762937152.db2.gz SUNQHKCXTZMGKF-CABCVRRESA-N 1 3 313.442 0.228 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC001129444842 762937324 /nfs/dbraw/zinc/93/73/24/762937324.db2.gz YXGUZDRVRSNWLD-VXGBXAGGSA-N 1 3 305.369 0.457 20 0 DCADHO O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430847 762940615 /nfs/dbraw/zinc/94/06/15/762940615.db2.gz YIFQBVIDXCSNHK-LSDHHAIUSA-N 1 3 322.453 0.378 20 0 DCADHO O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430847 762940620 /nfs/dbraw/zinc/94/06/20/762940620.db2.gz YIFQBVIDXCSNHK-LSDHHAIUSA-N 1 3 322.453 0.378 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC001129443415 762945374 /nfs/dbraw/zinc/94/53/74/762945374.db2.gz JTEFEOCBGMVMMT-GJZGRUSLSA-N 1 3 313.442 0.228 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129844951 763022913 /nfs/dbraw/zinc/02/29/13/763022913.db2.gz AVPXUQGUOJKDPC-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129844951 763022921 /nfs/dbraw/zinc/02/29/21/763022921.db2.gz AVPXUQGUOJKDPC-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001129856764 763025634 /nfs/dbraw/zinc/02/56/34/763025634.db2.gz XARNMEWORWGGPS-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001129856764 763025640 /nfs/dbraw/zinc/02/56/40/763025640.db2.gz XARNMEWORWGGPS-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001129918929 763050365 /nfs/dbraw/zinc/05/03/65/763050365.db2.gz MLRKDHKFBHGALN-KGLIPLIRSA-N 1 3 322.457 0.758 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCCCn1cncn1)N(C)C ZINC001129950402 763054789 /nfs/dbraw/zinc/05/47/89/763054789.db2.gz SEGNKMFKPZIMFF-HNNXBMFYSA-N 1 3 324.473 0.740 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C ZINC001129947256 763065367 /nfs/dbraw/zinc/06/53/67/763065367.db2.gz QXAYYONBQRNLKK-IRXDYDNUSA-N 1 3 321.465 0.882 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)C(C)C)N(C)C ZINC001130204869 763177379 /nfs/dbraw/zinc/17/73/79/763177379.db2.gz BHFNCAOTSJBXRB-CYBMUJFWSA-N 1 3 321.487 0.246 20 0 DCADHO CC(C)=CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972035 763177663 /nfs/dbraw/zinc/17/76/63/763177663.db2.gz PVJWOQXHWSJWTO-CABCVRRESA-N 1 3 309.454 0.846 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001130200592 763183669 /nfs/dbraw/zinc/18/36/69/763183669.db2.gz KQBYIEGXAGUXGY-NWDGAFQWSA-N 1 3 300.447 0.336 20 0 DCADHO COCCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131298 763338171 /nfs/dbraw/zinc/33/81/71/763338171.db2.gz ASRSJMJMMCJPHR-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO COCCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131298 763338181 /nfs/dbraw/zinc/33/81/81/763338181.db2.gz ASRSJMJMMCJPHR-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H]([NH2+]CCCNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001158079463 763484716 /nfs/dbraw/zinc/48/47/16/763484716.db2.gz BBEUPNPBCQKSBX-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCOCCO)C1)N(C)C ZINC001100426492 763571703 /nfs/dbraw/zinc/57/17/03/763571703.db2.gz LFOXICIUOUOADX-NRXISQOPSA-N 1 3 315.458 0.066 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CC(NCC(=O)Nc2ccon2)C1 ZINC001100638211 763695985 /nfs/dbraw/zinc/69/59/85/763695985.db2.gz ABVRVKAERIMTJT-UHFFFAOYSA-N 1 3 323.397 0.049 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001100651784 763702053 /nfs/dbraw/zinc/70/20/53/763702053.db2.gz JDDKNIMZNZJGHJ-ZBCRRDGASA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001100651631 763702408 /nfs/dbraw/zinc/70/24/08/763702408.db2.gz AUBOUKQRRDUORX-ZBCRRDGASA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001100770487 763775120 /nfs/dbraw/zinc/77/51/20/763775120.db2.gz DUUFZJUXZOGHMS-DNOWBOINSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001100900256 763848184 /nfs/dbraw/zinc/84/81/84/763848184.db2.gz XOYDVIREPYPUBA-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1)N(C)C ZINC001091986084 768173938 /nfs/dbraw/zinc/17/39/38/768173938.db2.gz UXLZVAQKCHSPOX-INMHGKMJSA-N 1 3 311.470 0.735 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1)N(C)C ZINC001091986084 768173944 /nfs/dbraw/zinc/17/39/44/768173944.db2.gz UXLZVAQKCHSPOX-INMHGKMJSA-N 1 3 311.470 0.735 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790761 764013994 /nfs/dbraw/zinc/01/39/94/764013994.db2.gz VFUYEXZVWHHYFM-INIZCTEOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1)CC(C)(C)C ZINC001101369021 764073389 /nfs/dbraw/zinc/07/33/89/764073389.db2.gz ZLJBJPGLPZJXGQ-PBHICJAKSA-N 1 3 311.470 0.737 20 0 DCADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1)CC(C)(C)C ZINC001101369021 764073393 /nfs/dbraw/zinc/07/33/93/764073393.db2.gz ZLJBJPGLPZJXGQ-PBHICJAKSA-N 1 3 311.470 0.737 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283672 764352004 /nfs/dbraw/zinc/35/20/04/764352004.db2.gz CEVFEIIJGJSGGC-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314678 764591550 /nfs/dbraw/zinc/59/15/50/764591550.db2.gz VCCYRURHNIIUMS-UKRRQHHQSA-N 1 3 307.442 0.556 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C ZINC001102600184 764719616 /nfs/dbraw/zinc/71/96/16/764719616.db2.gz RIKWAEAJHRQVEE-HZPDHXFCSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C ZINC001102600184 764719622 /nfs/dbraw/zinc/71/96/22/764719622.db2.gz RIKWAEAJHRQVEE-HZPDHXFCSA-N 1 3 321.469 0.907 20 0 DCADHO COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600772 764720168 /nfs/dbraw/zinc/72/01/68/764720168.db2.gz UTTJSVFQIAZQQY-RBSFLKMASA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600772 764720174 /nfs/dbraw/zinc/72/01/74/764720174.db2.gz UTTJSVFQIAZQQY-RBSFLKMASA-N 1 3 315.458 0.018 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)C2(C[NH+](C)C)CC2)ccn1 ZINC001132993308 764781004 /nfs/dbraw/zinc/78/10/04/764781004.db2.gz SKLNBCYSBLKMGE-UHFFFAOYSA-N 1 3 319.453 0.695 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001132995301 764784243 /nfs/dbraw/zinc/78/42/43/764784243.db2.gz QWUIVBBHHUNKPT-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCc1ccccc1 ZINC001133040442 764799097 /nfs/dbraw/zinc/79/90/97/764799097.db2.gz RLHHEUDSGZLVOF-UHFFFAOYSA-N 1 3 320.437 0.350 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCCC(C)(C)C ZINC001133040528 764800003 /nfs/dbraw/zinc/80/00/03/764800003.db2.gz VTNGSZLMGKFTBL-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nncn1C ZINC001133090293 764821654 /nfs/dbraw/zinc/82/16/54/764821654.db2.gz FVFYSWSFRNYVPJ-UONOGXRCSA-N 1 3 322.457 0.341 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C)[NH+](C)C ZINC001133434657 764967972 /nfs/dbraw/zinc/96/79/72/764967972.db2.gz XKJWUOBFENUOCC-CHWSQXEVSA-N 1 3 314.474 0.582 20 0 DCADHO CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)[NH+](CC)CC ZINC001133690500 765095610 /nfs/dbraw/zinc/09/56/10/765095610.db2.gz NBNVGZHTHOVKKZ-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086711799 765126408 /nfs/dbraw/zinc/12/64/08/765126408.db2.gz BUAWHPSIDVETBV-BFHYXJOUSA-N 1 3 310.442 0.221 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834139 765163650 /nfs/dbraw/zinc/16/36/50/765163650.db2.gz OXGAHSLMLCCHHQ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834139 765163655 /nfs/dbraw/zinc/16/36/55/765163655.db2.gz OXGAHSLMLCCHHQ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC001133845458 765178484 /nfs/dbraw/zinc/17/84/84/765178484.db2.gz GIBNDNPWXLJTJK-RDJZCZTQSA-N 1 3 319.449 0.638 20 0 DCADHO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C)c1nccn12 ZINC001092354901 768270648 /nfs/dbraw/zinc/27/06/48/768270648.db2.gz OLFRLANFKPAWGN-KGLIPLIRSA-N 1 3 317.437 0.958 20 0 DCADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC001133849736 765181458 /nfs/dbraw/zinc/18/14/58/765181458.db2.gz CTMDEFUDIYITRQ-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC(C)(C)C ZINC001133849736 765181461 /nfs/dbraw/zinc/18/14/61/765181461.db2.gz CTMDEFUDIYITRQ-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001133856455 765182644 /nfs/dbraw/zinc/18/26/44/765182644.db2.gz GBQWMSDAHVBTNY-IAQYHMDHSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001133856455 765182651 /nfs/dbraw/zinc/18/26/51/765182651.db2.gz GBQWMSDAHVBTNY-IAQYHMDHSA-N 1 3 316.421 0.169 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1ccc2nonc2c1 ZINC001133863902 765189510 /nfs/dbraw/zinc/18/95/10/765189510.db2.gz RDEKEKOEBKQOSL-YPMHNXCESA-N 1 3 317.393 0.626 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1ccc2nonc2c1 ZINC001133863902 765189516 /nfs/dbraw/zinc/18/95/16/765189516.db2.gz RDEKEKOEBKQOSL-YPMHNXCESA-N 1 3 317.393 0.626 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111767170 765382174 /nfs/dbraw/zinc/38/21/74/765382174.db2.gz RVWNWGSIQQWHNI-LZWOXQAQSA-N 1 3 315.433 0.629 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111767170 765382179 /nfs/dbraw/zinc/38/21/79/765382179.db2.gz RVWNWGSIQQWHNI-LZWOXQAQSA-N 1 3 315.433 0.629 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001134772407 765665317 /nfs/dbraw/zinc/66/53/17/765665317.db2.gz CVYPKVXITHMOLW-UONOGXRCSA-N 1 3 324.473 0.881 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001134772438 765665633 /nfs/dbraw/zinc/66/56/33/765665633.db2.gz DEHKLVSMBPAWAV-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO OC[C@@H]1C[NH2+]C[C@@H]1Nc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001170778997 765730941 /nfs/dbraw/zinc/73/09/41/765730941.db2.gz ONFMHQISGDTMHV-IHRRRGAJSA-N 1 3 303.410 0.278 20 0 DCADHO CN(C)[C@H](C(=O)NCC1([NH2+]CC(N)=O)CCCCC1)C1CC1 ZINC001115573384 765760751 /nfs/dbraw/zinc/76/07/51/765760751.db2.gz PMFDZICMWRRYKH-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO CCN(CC)CC(=O)NCC1([NH2+]CC(=O)NC)CCCCC1 ZINC001115777150 765817929 /nfs/dbraw/zinc/81/79/29/765817929.db2.gz DAPPITBTUXLLLS-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135980666 766193433 /nfs/dbraw/zinc/19/34/33/766193433.db2.gz RGMKDZHBILJAAR-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119353137 766642577 /nfs/dbraw/zinc/64/25/77/766642577.db2.gz XYRKGIWTYRCZCO-CRWXNKLISA-N 1 3 310.442 0.077 20 0 DCADHO CCn1ccc(CNCCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205118 767003453 /nfs/dbraw/zinc/00/34/53/767003453.db2.gz MCZCCQGJIFYVPN-UHFFFAOYSA-N 1 3 311.430 0.077 20 0 DCADHO Cc1cnc(CNCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001171225924 767048881 /nfs/dbraw/zinc/04/88/81/767048881.db2.gz BOJQVIXVGKFTGZ-AWEZNQCLSA-N 1 3 305.426 0.723 20 0 DCADHO Cc1cnc(CNCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001171225924 767048892 /nfs/dbraw/zinc/04/88/92/767048892.db2.gz BOJQVIXVGKFTGZ-AWEZNQCLSA-N 1 3 305.426 0.723 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227356 767052503 /nfs/dbraw/zinc/05/25/03/767052503.db2.gz OJUFRVYVBXFIQY-LBPRGKRZSA-N 1 3 311.455 0.784 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227356 767052515 /nfs/dbraw/zinc/05/25/15/767052515.db2.gz OJUFRVYVBXFIQY-LBPRGKRZSA-N 1 3 311.455 0.784 20 0 DCADHO CCn1nncc1CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091364309 767209077 /nfs/dbraw/zinc/20/90/77/767209077.db2.gz CMCXNJUOXURINA-MOKVOYLWSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091364309 767209081 /nfs/dbraw/zinc/20/90/81/767209081.db2.gz CMCXNJUOXURINA-MOKVOYLWSA-N 1 3 320.441 0.234 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(C)C)N(C)C ZINC001160889104 767378636 /nfs/dbraw/zinc/37/86/36/767378636.db2.gz CPAAGURNBGBACD-UONOGXRCSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001146594127 767485365 /nfs/dbraw/zinc/48/53/65/767485365.db2.gz RGBCQXMYVRJORT-OLZOCXBDSA-N 1 3 321.487 0.244 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001146593561 767486024 /nfs/dbraw/zinc/48/60/24/767486024.db2.gz PZFSEQKIADZRIT-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595329 767486935 /nfs/dbraw/zinc/48/69/35/767486935.db2.gz YOWPULPFMLKEAZ-KBPBESRZSA-N 1 3 314.474 0.724 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCCC(C)C ZINC001146710642 767509453 /nfs/dbraw/zinc/50/94/53/767509453.db2.gz KNHOZHBYTAAYSZ-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCCC(C)C ZINC001146710642 767509457 /nfs/dbraw/zinc/50/94/57/767509457.db2.gz KNHOZHBYTAAYSZ-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001146719224 767510962 /nfs/dbraw/zinc/51/09/62/767510962.db2.gz LRYPMZODLGAFPQ-UHFFFAOYSA-N 1 3 307.442 0.695 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001146719224 767510968 /nfs/dbraw/zinc/51/09/68/767510968.db2.gz LRYPMZODLGAFPQ-UHFFFAOYSA-N 1 3 307.442 0.695 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCN1CCc2ccccc2C1 ZINC001121982919 767688946 /nfs/dbraw/zinc/68/89/46/767688946.db2.gz HIOTXGNNLFENCF-YOEHRIQHSA-N 1 3 319.449 0.767 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+][C@H](CC)C(N)=O)C2 ZINC001122106914 767716634 /nfs/dbraw/zinc/71/66/34/767716634.db2.gz VPSCRFUILWIECY-OPFKTAGGSA-N 1 3 324.469 0.609 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207920 768518281 /nfs/dbraw/zinc/51/82/81/768518281.db2.gz DWMXLSXJWPWKHZ-LHSJRXKWSA-N 1 3 315.483 0.321 20 0 DCADHO CC(C)N(C)CC(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001142584477 768651393 /nfs/dbraw/zinc/65/13/93/768651393.db2.gz YJHZJQFDYBRUSI-AWEZNQCLSA-N 1 3 307.442 0.743 20 0 DCADHO CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CN(C)C(C)C)CC2 ZINC001142584405 768652002 /nfs/dbraw/zinc/65/20/02/768652002.db2.gz VRDUPILVSUVBEV-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CN(C)C(C)C)CC2 ZINC001142584405 768652006 /nfs/dbraw/zinc/65/20/06/768652006.db2.gz VRDUPILVSUVBEV-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H]([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1=O ZINC001172046192 769424344 /nfs/dbraw/zinc/42/43/44/769424344.db2.gz MADNZQZVZXTCKW-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCN1CC[C@@H]([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1=O ZINC001172046192 769424345 /nfs/dbraw/zinc/42/43/45/769424345.db2.gz MADNZQZVZXTCKW-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172158109 769446710 /nfs/dbraw/zinc/44/67/10/769446710.db2.gz AYIYKDSOGSZVOR-JKSUJKDBSA-N 1 3 308.470 0.755 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172166839 769450873 /nfs/dbraw/zinc/45/08/73/769450873.db2.gz RSJJMSMHSNPANL-KBPBESRZSA-N 1 3 323.437 0.886 20 0 DCADHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172166839 769450877 /nfs/dbraw/zinc/45/08/77/769450877.db2.gz RSJJMSMHSNPANL-KBPBESRZSA-N 1 3 323.437 0.886 20 0 DCADHO COCCCN1CCC([NH2+]CC(=O)NCc2ccco2)CC1 ZINC001172246692 769463110 /nfs/dbraw/zinc/46/31/10/769463110.db2.gz PANNDBSDIPHTQX-UHFFFAOYSA-N 1 3 309.410 0.986 20 0 DCADHO COCCC[NH+]1CCC(NCC2(N3CCCC3)COC2)CC1 ZINC001172247149 769463554 /nfs/dbraw/zinc/46/35/54/769463554.db2.gz HEOWQCPOEOVCAX-UHFFFAOYSA-N 1 3 311.470 0.942 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001152138743 769489980 /nfs/dbraw/zinc/48/99/80/769489980.db2.gz YJIBNBUQQVCANA-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001152138743 769489989 /nfs/dbraw/zinc/48/99/89/769489989.db2.gz YJIBNBUQQVCANA-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001152147977 769492078 /nfs/dbraw/zinc/49/20/78/769492078.db2.gz NPSIWESJFPFLRS-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001152147977 769492082 /nfs/dbraw/zinc/49/20/82/769492082.db2.gz NPSIWESJFPFLRS-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@@H](O)C[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245615 769515157 /nfs/dbraw/zinc/51/51/57/769515157.db2.gz IYOHKMSQXLZFHL-HNNXBMFYSA-N 1 3 309.410 0.075 20 0 DCADHO COc1cccc([C@@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C)c1 ZINC001152432121 769554471 /nfs/dbraw/zinc/55/44/71/769554471.db2.gz GBDCJBUQVGEHDP-INIZCTEOSA-N 1 3 323.437 0.775 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001152445262 769558712 /nfs/dbraw/zinc/55/87/12/769558712.db2.gz GADREWWOLLSTNB-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001152458584 769565383 /nfs/dbraw/zinc/56/53/83/769565383.db2.gz RCPDWIZALRCELO-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001152470499 769569408 /nfs/dbraw/zinc/56/94/08/769569408.db2.gz CIUUOEINPHCBCC-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1=O ZINC001152480344 769572926 /nfs/dbraw/zinc/57/29/26/769572926.db2.gz QZWYASKNCIDVLS-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO c1cc(CN2CC[NH2+]CC2)cc(CN2C[C@H]3CNC[C@@H](C2)O3)c1 ZINC001235338566 769819148 /nfs/dbraw/zinc/81/91/48/769819148.db2.gz PRFRUVJVFCRMAO-HDICACEKSA-N 1 3 316.449 0.264 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175255847 769885080 /nfs/dbraw/zinc/88/50/80/769885080.db2.gz HTFCJIZYIDPGKW-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]([NH3+])CN1CCCn2cnc(CNC3CCOCC3)c2C1 ZINC001235653811 769925483 /nfs/dbraw/zinc/92/54/83/769925483.db2.gz USBVZCZOPWLXMA-CYBMUJFWSA-N 1 3 307.442 0.705 20 0 DCADHO NCCS(=O)(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001239176118 770197003 /nfs/dbraw/zinc/19/70/03/770197003.db2.gz AKLFLYCSBUCAOO-UHFFFAOYSA-N 1 3 309.435 0.412 20 0 DCADHO COC(=O)c1ccc(NC(=O)NCCC[NH2+]CCCN)cc1 ZINC001239253148 770202844 /nfs/dbraw/zinc/20/28/44/770202844.db2.gz PLORSVGIYHULSP-UHFFFAOYSA-N 1 3 308.382 0.923 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986296 770274587 /nfs/dbraw/zinc/27/45/87/770274587.db2.gz JUAJGXMUGVLYGH-OAHLLOKOSA-N 1 3 322.457 0.768 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC001206653475 770420725 /nfs/dbraw/zinc/42/07/25/770420725.db2.gz FXPPOISEBUXJRF-UHFFFAOYSA-N 1 3 322.457 0.485 20 0 DCADHO CN1CCN(c2cccc(NC[C@]34C[NH2+]C[C@H]3COC4)n2)CC1 ZINC001155515894 770531488 /nfs/dbraw/zinc/53/14/88/770531488.db2.gz NINMEMPWOWSDSE-YOEHRIQHSA-N 1 3 317.437 0.481 20 0 DCADHO CN(Cc1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc1)C1CC1 ZINC001155580670 770554798 /nfs/dbraw/zinc/55/47/98/770554798.db2.gz NQFSITHVJGEHOQ-XJKSGUPXSA-N 1 3 301.394 0.666 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCOCC(F)F)CCN1C(=O)[C@@H]1CCCN1C ZINC001178360476 770733756 /nfs/dbraw/zinc/73/37/56/770733756.db2.gz NMYRYORXXIZOFR-AVGNSLFASA-N 1 3 319.396 0.941 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731412 770847825 /nfs/dbraw/zinc/84/78/25/770847825.db2.gz VZJQDQOLABCGDL-BARDWOONSA-N 1 3 324.469 0.430 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731412 770847834 /nfs/dbraw/zinc/84/78/34/770847834.db2.gz VZJQDQOLABCGDL-BARDWOONSA-N 1 3 324.469 0.430 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902429 770898852 /nfs/dbraw/zinc/89/88/52/770898852.db2.gz PSOVMYQCNRGJDF-OBJOEFQTSA-N 1 3 310.442 0.184 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1c[nH]c2c(c1=O)CCCC2 ZINC001156900406 770959831 /nfs/dbraw/zinc/95/98/31/770959831.db2.gz NULLWPNZFDJPHM-UHFFFAOYSA-N 1 3 305.382 0.328 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(N)=O ZINC001179303490 770984088 /nfs/dbraw/zinc/98/40/88/770984088.db2.gz FDGFTHPKBJROFU-BYNSBNAKSA-N 1 3 324.469 0.704 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+]C[C@H](O)COC ZINC001179850416 771023150 /nfs/dbraw/zinc/02/31/50/771023150.db2.gz DNUZUCYNSSVUAZ-HNNXBMFYSA-N 1 3 317.474 0.602 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001180203945 771073788 /nfs/dbraw/zinc/07/37/88/771073788.db2.gz DGVVDTACKLDOQD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC)C1 ZINC001183038492 771595071 /nfs/dbraw/zinc/59/50/71/771595071.db2.gz ABJSCCAFFLGDGV-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NCC)C1 ZINC001183038492 771595076 /nfs/dbraw/zinc/59/50/76/771595076.db2.gz ABJSCCAFFLGDGV-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO N[C@@H](CC1CCC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157379968 771599046 /nfs/dbraw/zinc/59/90/46/771599046.db2.gz SNELPXLGSKNEJN-GJZGRUSLSA-N 1 3 324.469 0.740 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1)C1CC1 ZINC001183267300 771630972 /nfs/dbraw/zinc/63/09/72/771630972.db2.gz MLAGTFCYDWYPEH-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO COc1ccccc1[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001157579307 771635371 /nfs/dbraw/zinc/63/53/71/771635371.db2.gz LMCAMHFFVRWAEF-DZGCQCFKSA-N 1 3 315.417 0.820 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@](O)(CF)CC1 ZINC001157780014 771670576 /nfs/dbraw/zinc/67/05/76/771670576.db2.gz AEBPBZJAONOEFO-CJNGLKHVSA-N 1 3 313.417 0.574 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@](O)(CF)CC1 ZINC001157780014 771670580 /nfs/dbraw/zinc/67/05/80/771670580.db2.gz AEBPBZJAONOEFO-CJNGLKHVSA-N 1 3 313.417 0.574 20 0 DCADHO CCS(=O)(=O)N(c1ncc(C)cc1CN)C1CC[NH2+]CC1 ZINC001157897518 771688662 /nfs/dbraw/zinc/68/86/62/771688662.db2.gz YIGFIBIBEPFCHZ-UHFFFAOYSA-N 1 3 312.439 0.757 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157925273 771694608 /nfs/dbraw/zinc/69/46/08/771694608.db2.gz LGUVJWAKVPRHPY-QXEWZRGKSA-N 1 3 315.311 0.307 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151354694 771695819 /nfs/dbraw/zinc/69/58/19/771695819.db2.gz QMQLHQUHXKPCBX-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H](NC(=O)OC)C(C)C ZINC001183954323 771725846 /nfs/dbraw/zinc/72/58/46/771725846.db2.gz LLOSCDKTLXZIQI-NSHDSACASA-N 1 3 315.418 0.431 20 0 DCADHO O=C([C@H]1CC[C@@]2(C1)CNCCO2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170190 771733811 /nfs/dbraw/zinc/73/38/11/771733811.db2.gz WRQZTRHSQDWAEO-WMLDXEAASA-N 1 3 307.438 0.890 20 0 DCADHO O=C(N1C[C@H]2c3ccccc3CN[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158327704 771760525 /nfs/dbraw/zinc/76/05/25/771760525.db2.gz NGCOZGMCGQKRPU-KMANFZQXSA-N 1 3 312.417 0.036 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNCC(=O)Nc2ccon2)CC[N@@H+]1C ZINC001158379684 771765811 /nfs/dbraw/zinc/76/58/11/771765811.db2.gz FLAAPVWPMGOHPA-VXGBXAGGSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNCC(=O)Nc2ccon2)CC[N@H+]1C ZINC001158379684 771765814 /nfs/dbraw/zinc/76/58/14/771765814.db2.gz FLAAPVWPMGOHPA-VXGBXAGGSA-N 1 3 323.397 0.049 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486627 771781744 /nfs/dbraw/zinc/78/17/44/771781744.db2.gz PWDVIFMYPJKIOK-CABCVRRESA-N 1 3 322.409 0.442 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486627 771781747 /nfs/dbraw/zinc/78/17/47/771781747.db2.gz PWDVIFMYPJKIOK-CABCVRRESA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC001158505660 771783739 /nfs/dbraw/zinc/78/37/39/771783739.db2.gz FGRVZPKZDWLMTG-DZGCQCFKSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC001158505660 771783742 /nfs/dbraw/zinc/78/37/42/771783742.db2.gz FGRVZPKZDWLMTG-DZGCQCFKSA-N 1 3 322.409 0.442 20 0 DCADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]1CC[C@@H]1[NH3+])C2 ZINC001158856721 771828457 /nfs/dbraw/zinc/82/84/57/771828457.db2.gz PUPCOYBTAKKCNO-AAEUAGOBSA-N 1 3 305.426 0.872 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1)[NH+](CC)CC ZINC001185599821 771934853 /nfs/dbraw/zinc/93/48/53/771934853.db2.gz FRCFGSHQQIEPOT-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001185651300 771940218 /nfs/dbraw/zinc/94/02/18/771940218.db2.gz WPQNAALLNSQDGD-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001185651300 771940222 /nfs/dbraw/zinc/94/02/22/771940222.db2.gz WPQNAALLNSQDGD-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001185659084 771940812 /nfs/dbraw/zinc/94/08/12/771940812.db2.gz CZSXQFYECMBHLL-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001185659928 771941250 /nfs/dbraw/zinc/94/12/50/771941250.db2.gz TXGSXYKKLLPXLJ-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N(C)C3CC3)C2)C1 ZINC001185659554 771941447 /nfs/dbraw/zinc/94/14/47/771941447.db2.gz KCBUHCAHNHZIPL-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N(C)C3CC3)C2)C1 ZINC001185659554 771941449 /nfs/dbraw/zinc/94/14/49/771941449.db2.gz KCBUHCAHNHZIPL-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1)N(C)C ZINC001185706303 771944266 /nfs/dbraw/zinc/94/42/66/771944266.db2.gz LMSOXGYXTYEAPN-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159917494 771977550 /nfs/dbraw/zinc/97/75/50/771977550.db2.gz XOOOIPZJMSQSCX-OAHLLOKOSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001159923760 771978236 /nfs/dbraw/zinc/97/82/36/771978236.db2.gz HKZYAJFUSPYVKE-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)C1=O ZINC001159931487 771979019 /nfs/dbraw/zinc/97/90/19/771979019.db2.gz DVURCYQZWIRFLA-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)NC1CC1 ZINC001159931829 771980304 /nfs/dbraw/zinc/98/03/04/771980304.db2.gz JNSPYASKEMELOT-BXUZGUMPSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001186090549 772002841 /nfs/dbraw/zinc/00/28/41/772002841.db2.gz NISCBJJCYVXMIV-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001160292014 772020034 /nfs/dbraw/zinc/02/00/34/772020034.db2.gz KKUOLYHCVQDPHW-HNNXBMFYSA-N 1 3 315.433 0.797 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160292014 772020040 /nfs/dbraw/zinc/02/00/40/772020040.db2.gz KKUOLYHCVQDPHW-HNNXBMFYSA-N 1 3 315.433 0.797 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186496546 772046507 /nfs/dbraw/zinc/04/65/07/772046507.db2.gz KOJOEDHCNFOQHD-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC001160482217 772047806 /nfs/dbraw/zinc/04/78/06/772047806.db2.gz BCDSKSQAWZQLOJ-HNNXBMFYSA-N 1 3 324.469 0.659 20 0 DCADHO COC(=O)c1cccc2c1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160565196 772066808 /nfs/dbraw/zinc/06/68/08/772066808.db2.gz OANOIUZNEJBPLF-AWEZNQCLSA-N 1 3 315.373 0.124 20 0 DCADHO N[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCc2cc(F)ccc2C1 ZINC001160643950 772084511 /nfs/dbraw/zinc/08/45/11/772084511.db2.gz QZLMSRYCSNAUNT-GOEBONIOSA-N 1 3 307.369 0.198 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001160705674 772100269 /nfs/dbraw/zinc/10/02/69/772100269.db2.gz ZMPYENOXYYKPAP-FRRDWIJNSA-N 1 3 311.426 0.456 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001160705674 772100270 /nfs/dbraw/zinc/10/02/70/772100270.db2.gz ZMPYENOXYYKPAP-FRRDWIJNSA-N 1 3 311.426 0.456 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCc2nccn2CC1 ZINC001160760186 772107351 /nfs/dbraw/zinc/10/73/51/772107351.db2.gz GOQRMHPLSPRTBP-AWEZNQCLSA-N 1 3 307.442 0.763 20 0 DCADHO N[C@H](C(=O)N1CCc2nc(C3CC3)ncc2C1)C1CC[NH2+]CC1 ZINC001160835266 772119024 /nfs/dbraw/zinc/11/90/24/772119024.db2.gz RSNGCYUVOSPUGW-HNNXBMFYSA-N 1 3 315.421 0.566 20 0 DCADHO C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001160838568 772119486 /nfs/dbraw/zinc/11/94/86/772119486.db2.gz KBGASACFOBFDCN-IRXDYDNUSA-N 1 3 317.433 0.518 20 0 DCADHO NC1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)Cc2ccccc2C1 ZINC001160999469 772147244 /nfs/dbraw/zinc/14/72/44/772147244.db2.gz FHRQUADGJODBQZ-HNNXBMFYSA-N 1 3 315.417 0.198 20 0 DCADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)C[C@@H]21 ZINC001161082362 772163279 /nfs/dbraw/zinc/16/32/79/772163279.db2.gz NRPYFYAGKHMZIF-VQHPVUNQSA-N 1 3 320.481 0.613 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001187323025 772165669 /nfs/dbraw/zinc/16/56/69/772165669.db2.gz UUYDMLZEYLOCNQ-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001187307287 772172807 /nfs/dbraw/zinc/17/28/07/772172807.db2.gz YYKORWKWGFWOLV-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001187307287 772172809 /nfs/dbraw/zinc/17/28/09/772172809.db2.gz YYKORWKWGFWOLV-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1cc(F)cc(CN(C(=O)[C@@](C)(N)CO)C2CC[NH2+]CC2)c1 ZINC001161280701 772196148 /nfs/dbraw/zinc/19/61/48/772196148.db2.gz WYSFIDXXWRTTQD-KRWDZBQOSA-N 1 3 323.412 0.924 20 0 DCADHO Cc1cccnc1O[C@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161394541 772216423 /nfs/dbraw/zinc/21/64/23/772216423.db2.gz NUYFCHLLHDABQE-LSDHHAIUSA-N 1 3 318.421 0.697 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511353 772237536 /nfs/dbraw/zinc/23/75/36/772237536.db2.gz YWPLGTHTLRVXTP-HIFRSBDPSA-N 1 3 307.369 0.272 20 0 DCADHO Cc1ccn2cc(CN(C)C(=O)[C@@H](N)C3CC[NH2+]CC3)nc2c1 ZINC001161532368 772240475 /nfs/dbraw/zinc/24/04/75/772240475.db2.gz RJEYRTPRLCTNJF-INIZCTEOSA-N 1 3 315.421 0.928 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001187921728 772248892 /nfs/dbraw/zinc/24/88/92/772248892.db2.gz UWIMUUBDLYQMQJ-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO Cc1cc(CNCCCNC(=O)C23CCC[NH+]2CCC3)nn1C ZINC001161789756 772283416 /nfs/dbraw/zinc/28/34/16/772283416.db2.gz YBRONAWLANHTNY-UHFFFAOYSA-N 1 3 319.453 0.953 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001161952351 772306156 /nfs/dbraw/zinc/30/61/56/772306156.db2.gz HCHYBUWBRGLJCH-INIZCTEOSA-N 1 3 309.454 0.992 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161952351 772306161 /nfs/dbraw/zinc/30/61/61/772306161.db2.gz HCHYBUWBRGLJCH-INIZCTEOSA-N 1 3 309.454 0.992 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1ccc2c(n1)OCC[NH2+]C2 ZINC001162532865 772387287 /nfs/dbraw/zinc/38/72/87/772387287.db2.gz XIXWQVCZBQOGHX-UHFFFAOYSA-N 1 3 317.349 0.385 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1cccc(C[NH+](C)C)n1 ZINC001162532993 772387765 /nfs/dbraw/zinc/38/77/65/772387765.db2.gz LIAJGZGPJBEODZ-UHFFFAOYSA-N 1 3 303.366 0.964 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1cnc2c(c1)C[NH2+]CC2 ZINC001162537809 772388170 /nfs/dbraw/zinc/38/81/70/772388170.db2.gz UYTNAEJGFXDECQ-UHFFFAOYSA-N 1 3 301.350 0.548 20 0 DCADHO c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc2c1C1(CNC1)OC2 ZINC001163107925 772463590 /nfs/dbraw/zinc/46/35/90/772463590.db2.gz HUMJAGWLONZMMK-XNRPHZJLSA-N 1 3 301.390 0.662 20 0 DCADHO CN1CCN(c2ccc(N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)cc2)CC1 ZINC001163247433 772490100 /nfs/dbraw/zinc/49/01/00/772490100.db2.gz DPNNTTGAIVXWDJ-NVXWUHKLSA-N 1 3 315.421 0.428 20 0 DCADHO c1ncc(OCCN2CCCC2)nc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163336222 772507851 /nfs/dbraw/zinc/50/78/51/772507851.db2.gz JXXBLCGUOWRWIA-WWGRRREGSA-N 1 3 319.409 0.492 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001163820164 772577218 /nfs/dbraw/zinc/57/72/18/772577218.db2.gz CUJDZPQUPVQCGJ-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163821003 772577255 /nfs/dbraw/zinc/57/72/55/772577255.db2.gz JYZQENOEOYIFDQ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO COC(=O)[C@H](C[NH3+])Cc1ccc(-n2nc(CN)cc2C)cc1 ZINC001163985994 772601751 /nfs/dbraw/zinc/60/17/51/772601751.db2.gz NDYFRZGBDZECLC-ZDUSSCGKSA-N 1 3 302.378 0.930 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)CCOC)C1 ZINC001190443938 772626016 /nfs/dbraw/zinc/62/60/16/772626016.db2.gz LPPBJFAVGZRJIO-KGLIPLIRSA-N 1 3 303.422 0.845 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CCOC)C1 ZINC001190443938 772626018 /nfs/dbraw/zinc/62/60/18/772626018.db2.gz LPPBJFAVGZRJIO-KGLIPLIRSA-N 1 3 303.422 0.845 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675371 772662772 /nfs/dbraw/zinc/66/27/72/772662772.db2.gz LQXCMPYXRMUADA-CABCVRRESA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675371 772662773 /nfs/dbraw/zinc/66/27/73/772662773.db2.gz LQXCMPYXRMUADA-CABCVRRESA-N 1 3 313.442 0.011 20 0 DCADHO COc1cncc(CNCCCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001165262816 772713310 /nfs/dbraw/zinc/71/33/10/772713310.db2.gz KBFLFQDEAHMJQA-UHFFFAOYSA-N 1 3 321.425 0.423 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncc(C)cc1CN ZINC001165407151 772733610 /nfs/dbraw/zinc/73/36/10/772733610.db2.gz BVHWKXZCGSXAAA-MELADBBJSA-N 1 3 304.394 0.579 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001165485315 772742135 /nfs/dbraw/zinc/74/21/35/772742135.db2.gz RVMAHFQUUHXPIC-AAEUAGOBSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001165502203 772743581 /nfs/dbraw/zinc/74/35/81/772743581.db2.gz YLHFZXGEXQAZQA-GFCCVEGCSA-N 1 3 310.442 0.221 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001166627008 772831590 /nfs/dbraw/zinc/83/15/90/772831590.db2.gz NYWGMMDPYFGGOL-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCc2ccnn2C)C1 ZINC001166676958 772838596 /nfs/dbraw/zinc/83/85/96/772838596.db2.gz FDLQUKJYRBIJDB-CQSZACIVSA-N 1 3 307.442 0.400 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001166678141 772839395 /nfs/dbraw/zinc/83/93/95/772839395.db2.gz TVMATNLFMHLQSY-CYBMUJFWSA-N 1 3 323.441 0.748 20 0 DCADHO COCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166686684 772840073 /nfs/dbraw/zinc/84/00/73/772840073.db2.gz COXCRBKFYGMMOX-OAHLLOKOSA-N 1 3 303.422 0.941 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166708286 772845338 /nfs/dbraw/zinc/84/53/38/772845338.db2.gz OAKFYMFBTORNGV-ZIAGYGMSSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166708286 772845341 /nfs/dbraw/zinc/84/53/41/772845341.db2.gz OAKFYMFBTORNGV-ZIAGYGMSSA-N 1 3 307.442 0.697 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001166707303 772845747 /nfs/dbraw/zinc/84/57/47/772845747.db2.gz FJSXLPPFEZVFRL-OCCSQVGLSA-N 1 3 321.425 0.279 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001166707303 772845750 /nfs/dbraw/zinc/84/57/50/772845750.db2.gz FJSXLPPFEZVFRL-OCCSQVGLSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001166709193 772847058 /nfs/dbraw/zinc/84/70/58/772847058.db2.gz YAFBVUYBPUHLSS-DZGCQCFKSA-N 1 3 320.437 0.884 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001166709193 772847062 /nfs/dbraw/zinc/84/70/62/772847062.db2.gz YAFBVUYBPUHLSS-DZGCQCFKSA-N 1 3 320.437 0.884 20 0 DCADHO Cn1cc(CC[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cn1 ZINC001166736484 772854300 /nfs/dbraw/zinc/85/43/00/772854300.db2.gz NISTVTKIVQOJFE-UHFFFAOYSA-N 1 3 321.469 0.790 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744006 772854765 /nfs/dbraw/zinc/85/47/65/772854765.db2.gz CLQITDMKQPBUHX-UHFFFAOYSA-N 1 3 324.473 0.872 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203520684 772910895 /nfs/dbraw/zinc/91/08/95/772910895.db2.gz HFLXVIDWJCQWJY-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C12CCC2 ZINC001203651859 772918173 /nfs/dbraw/zinc/91/81/73/772918173.db2.gz QEXJDVJZBGHEBL-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+][C@H]1COCC[C@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001205806729 773022249 /nfs/dbraw/zinc/02/22/49/773022249.db2.gz QEHATGYNISCPDE-MNOVXSKESA-N 1 3 301.350 0.609 20 0 DCADHO C[NH+](C)Cc1ccc(-c2noc(CC[C@@H](N)C(N)=O)n2)cc1 ZINC001205864974 773026908 /nfs/dbraw/zinc/02/69/08/773026908.db2.gz BAYFTWNUJJOHJM-GFCCVEGCSA-N 1 3 303.366 0.543 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275230 773061506 /nfs/dbraw/zinc/06/15/06/773061506.db2.gz QCORRTYJABAXIL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](O)C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287236 773063055 /nfs/dbraw/zinc/06/30/55/773063055.db2.gz APDGHASZCVUBSP-CQSZACIVSA-N 1 3 311.470 0.927 20 0 DCADHO COCCOCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285076 773175781 /nfs/dbraw/zinc/17/57/81/773175781.db2.gz PGNQGELQLLEJFW-OAHLLOKOSA-N 1 3 315.458 0.522 20 0 DCADHO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285076 773175782 /nfs/dbraw/zinc/17/57/82/773175782.db2.gz PGNQGELQLLEJFW-OAHLLOKOSA-N 1 3 315.458 0.522 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001207231244 773184334 /nfs/dbraw/zinc/18/43/34/773184334.db2.gz HSGKGYLRCAEDLX-MGPQQGTHSA-N 1 3 303.422 0.485 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001207231244 773184337 /nfs/dbraw/zinc/18/43/37/773184337.db2.gz HSGKGYLRCAEDLX-MGPQQGTHSA-N 1 3 303.422 0.485 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001208279284 773422623 /nfs/dbraw/zinc/42/26/23/773422623.db2.gz MPJJTNOPMYGBKR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001208279284 773422626 /nfs/dbraw/zinc/42/26/26/773422626.db2.gz MPJJTNOPMYGBKR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001208330871 773435574 /nfs/dbraw/zinc/43/55/74/773435574.db2.gz HCFUKMUHIYTICI-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001208334957 773435881 /nfs/dbraw/zinc/43/58/81/773435881.db2.gz OVHQIGSOZGMBMZ-ZBFHGGJFSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339547 773437037 /nfs/dbraw/zinc/43/70/37/773437037.db2.gz BKCWKDDSSSBYLL-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209241808 773574045 /nfs/dbraw/zinc/57/40/45/773574045.db2.gz FJXAIWCUIWYBDM-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209241808 773574052 /nfs/dbraw/zinc/57/40/52/773574052.db2.gz FJXAIWCUIWYBDM-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209279366 773582691 /nfs/dbraw/zinc/58/26/91/773582691.db2.gz WWBPXQFFUKYQLD-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001209304167 773588024 /nfs/dbraw/zinc/58/80/24/773588024.db2.gz NSXJUHDCTRBOCP-CYBMUJFWSA-N 1 3 320.441 0.536 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001209668682 773632452 /nfs/dbraw/zinc/63/24/52/773632452.db2.gz GFHXFHBBFLOYEV-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001209670330 773632593 /nfs/dbraw/zinc/63/25/93/773632593.db2.gz YUUSHBOPJKZJNJ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001209670306 773632692 /nfs/dbraw/zinc/63/26/92/773632692.db2.gz YATKXJUIQVJMQV-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209949939 773662201 /nfs/dbraw/zinc/66/22/01/773662201.db2.gz BGFIALZQFDTFQS-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001210218152 773686194 /nfs/dbraw/zinc/68/61/94/773686194.db2.gz PAUSOVOMEXZKRC-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001210218923 773686424 /nfs/dbraw/zinc/68/64/24/773686424.db2.gz RGSSECWQDTYLET-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001210788592 773739208 /nfs/dbraw/zinc/73/92/08/773739208.db2.gz GAQHLQVDZSAJFM-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211267451 773787263 /nfs/dbraw/zinc/78/72/63/773787263.db2.gz AVQUIULKWJZWQJ-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001211277771 773789376 /nfs/dbraw/zinc/78/93/76/773789376.db2.gz OMDVUXZOKBTDGK-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1)OC ZINC001213378020 773839514 /nfs/dbraw/zinc/83/95/14/773839514.db2.gz BBDSHXVNLCPZBD-MGPQQGTHSA-N 1 3 301.431 0.179 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378186 773839702 /nfs/dbraw/zinc/83/97/02/773839702.db2.gz GLSLAHYGAOCYDE-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001203925443 774029654 /nfs/dbraw/zinc/02/96/54/774029654.db2.gz NXDHEEQYWYVQMJ-UHFFFAOYSA-N 1 3 308.430 0.236 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215539839 774081569 /nfs/dbraw/zinc/08/15/69/774081569.db2.gz AFWKPLQXTXHQOI-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536063 774081790 /nfs/dbraw/zinc/08/17/90/774081790.db2.gz GJJSXODGVPYQDY-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1)N(C)C ZINC001215571218 774083635 /nfs/dbraw/zinc/08/36/35/774083635.db2.gz FOLJNNWUROMJNA-KFWWJZLASA-N 1 3 315.458 0.426 20 0 DCADHO F[C@@H]1CCC[NH2+]C[C@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001217981088 774208589 /nfs/dbraw/zinc/20/85/89/774208589.db2.gz OJHCNCDULJHYFU-DGCLKSJQSA-N 1 3 305.357 0.844 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001218099835 774212058 /nfs/dbraw/zinc/21/20/58/774212058.db2.gz JKBVSCIYQORABH-OLZOCXBDSA-N 1 3 307.419 0.268 20 0 DCADHO c1cc(O[C@H]2CC[C@@H]3NCCO[C@H]32)ccc1CN1CC[NH2+]CC1 ZINC001218150184 774214007 /nfs/dbraw/zinc/21/40/07/774214007.db2.gz AKTGSRDBHAWKBJ-OKZBNKHCSA-N 1 3 317.433 0.990 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c1 ZINC001218150731 774214040 /nfs/dbraw/zinc/21/40/40/774214040.db2.gz RSLPRFZMMABJSD-RSUWNVLCSA-N 1 3 319.405 0.337 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534172 774240083 /nfs/dbraw/zinc/24/00/83/774240083.db2.gz VHFPTBUDWJUOLO-WPRPVWTQSA-N 1 3 320.422 0.201 20 0 DCADHO COC[C@H](C)Oc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)[nH]n1 ZINC001218720962 774288551 /nfs/dbraw/zinc/28/85/51/774288551.db2.gz QJIBEFRHMQAVKI-ZANVPECISA-N 1 3 311.386 0.089 20 0 DCADHO N[C@@H](C(=O)Nc1cnccc1OC(F)F)C1CC[NH2+]CC1 ZINC001218739602 774292484 /nfs/dbraw/zinc/29/24/84/774292484.db2.gz GNDVXJFSNDNWPV-LLVKDONJSA-N 1 3 300.309 0.948 20 0 DCADHO N[C@@H](C(=O)Nc1ccnn1-c1ccncc1)C1CC[NH2+]CC1 ZINC001218742479 774294281 /nfs/dbraw/zinc/29/42/81/774294281.db2.gz FIGYJCRFVPBUFX-CQSZACIVSA-N 1 3 300.366 0.533 20 0 DCADHO N[C@@H](C(=O)Nc1ccnn1CC(F)(F)F)C1CC[NH2+]CC1 ZINC001218751826 774297808 /nfs/dbraw/zinc/29/78/08/774297808.db2.gz PNGGEYQMSRJNRQ-SNVBAGLBSA-N 1 3 305.304 0.711 20 0 DCADHO CCCN1CCc2c(N)sc(NC(=O)[C@@H]3C[C@@H]([NH3+])CN3)c2C1 ZINC001218754107 774297962 /nfs/dbraw/zinc/29/79/62/774297962.db2.gz MCWTZBJAOCDFAA-SKDRFNHKSA-N 1 3 323.466 0.726 20 0 DCADHO O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218835969 774312469 /nfs/dbraw/zinc/31/24/69/774312469.db2.gz QNVLRJGFVLRBIH-RFAUZJTJSA-N 1 3 301.350 0.406 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)Nc1ccc(Cn2ccnc2)cc1 ZINC001218848974 774315471 /nfs/dbraw/zinc/31/54/71/774315471.db2.gz UMYIOTMNCZERTK-AWEZNQCLSA-N 1 3 319.434 0.889 20 0 DCADHO O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218851555 774315728 /nfs/dbraw/zinc/31/57/28/774315728.db2.gz RTEDNYNZUDBAII-QLJPJBMISA-N 1 3 316.361 0.155 20 0 DCADHO Cc1cc(N)cc2sc(=N)n(C(=O)[C@@H]3C[NH2+]CC34CNC4)c21 ZINC001218953947 774334390 /nfs/dbraw/zinc/33/43/90/774334390.db2.gz HFDKBKVMMIDAEO-JTQLQIEISA-N 1 3 317.418 0.522 20 0 DCADHO [NH3+][C@H](C(=O)Nc1ccc2c(c1)CNCCO2)C1CCC(O)CC1 ZINC001219027788 774350217 /nfs/dbraw/zinc/35/02/17/774350217.db2.gz BOFILNVGVGJDQL-INORYPFCSA-N 1 3 319.405 0.986 20 0 DCADHO COC(=O)C1CN(c2ccc(NC(=O)[C@H](N)CCC[NH3+])cc2)C1 ZINC001219126055 774380559 /nfs/dbraw/zinc/38/05/59/774380559.db2.gz CLEDUQOWEHJULJ-CQSZACIVSA-N 1 3 320.393 0.301 20 0 DCADHO COC(=O)C1CN(c2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc2)C1 ZINC001219126054 774380822 /nfs/dbraw/zinc/38/08/22/774380822.db2.gz CLEDUQOWEHJULJ-AWEZNQCLSA-N 1 3 320.393 0.301 20 0 DCADHO CN[C@H](C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1)[C@@H](C)O ZINC001219290643 774436804 /nfs/dbraw/zinc/43/68/04/774436804.db2.gz JDWQPVUXXAKKMD-YGRLFVJLSA-N 1 3 324.400 0.661 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNC/C=C\Cl)C1 ZINC001201320361 774487671 /nfs/dbraw/zinc/48/76/71/774487671.db2.gz YDTBSPGPXOEKSR-ACVFHECNSA-N 1 3 303.834 0.898 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)CCCO1 ZINC001201402858 774501857 /nfs/dbraw/zinc/50/18/57/774501857.db2.gz GTAJKNFSEMFIGH-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO Cc1c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ccc2c1OCCO2 ZINC001219498126 774515468 /nfs/dbraw/zinc/51/54/68/774515468.db2.gz QFTYWCCEBOTGMK-NSHDSACASA-N 1 3 303.362 0.514 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219532591 774526874 /nfs/dbraw/zinc/52/68/74/774526874.db2.gz AULZTSYJRSWURH-MISXGVKJSA-N 1 3 313.361 0.366 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219532591 774526882 /nfs/dbraw/zinc/52/68/82/774526882.db2.gz AULZTSYJRSWURH-MISXGVKJSA-N 1 3 313.361 0.366 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001201679307 774536588 /nfs/dbraw/zinc/53/65/88/774536588.db2.gz VLLRKINLXYLEKB-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO Cn1ccc2cc(CNC(=O)[C@@H](N)CSCC[NH3+])ccc21 ZINC001219597697 774550462 /nfs/dbraw/zinc/55/04/62/774550462.db2.gz RAPWKXZGKDCTAV-ZDUSSCGKSA-N 1 3 306.435 0.814 20 0 DCADHO N[C@H](C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1CCOCC1 ZINC001219743626 774596053 /nfs/dbraw/zinc/59/60/53/774596053.db2.gz HYEPURNDPBNWIH-KGLIPLIRSA-N 1 3 311.426 0.158 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219774754 774603879 /nfs/dbraw/zinc/60/38/79/774603879.db2.gz BPAZYHILKFZRIN-JSGCOSHPSA-N 1 3 324.469 0.513 20 0 DCADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1CNC[C@H](F)C1 ZINC001219788956 774608404 /nfs/dbraw/zinc/60/84/04/774608404.db2.gz UAEVAXNRASETMH-MGPQQGTHSA-N 1 3 308.401 0.661 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162868 774609517 /nfs/dbraw/zinc/60/95/17/774609517.db2.gz AUVGUQRBVNINPD-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202216965 774616937 /nfs/dbraw/zinc/61/69/37/774616937.db2.gz HGVSWYZAJZWINS-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)OCC2 ZINC001219885464 774637685 /nfs/dbraw/zinc/63/76/85/774637685.db2.gz PWEVISMUYAHCNR-UONOGXRCSA-N 1 3 323.441 0.209 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCCCC[NH+](C)C ZINC001219920754 774647356 /nfs/dbraw/zinc/64/73/56/774647356.db2.gz KKLGSRRGKIHEIB-KBPBESRZSA-N 1 3 314.474 0.713 20 0 DCADHO [NH3+]CCCNCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC001219940873 774653113 /nfs/dbraw/zinc/65/31/13/774653113.db2.gz HFRQVRIYTPOROR-UHFFFAOYSA-N 1 3 312.458 0.076 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(-c2ncon2)cc1 ZINC001220005287 774666912 /nfs/dbraw/zinc/66/69/12/774666912.db2.gz WMJWMWZHNHKLOZ-LBPRGKRZSA-N 1 3 321.406 0.372 20 0 DCADHO CCOC(=O)Cc1ccc(CNC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001220009278 774669032 /nfs/dbraw/zinc/66/90/32/774669032.db2.gz FSFVTRRECZAFGN-CQSZACIVSA-N 1 3 307.394 0.475 20 0 DCADHO Cc1ccc(C2(NC(=O)[C@@H](N)C3CC[NH2+]CC3)COC2)cc1 ZINC001220202772 774732861 /nfs/dbraw/zinc/73/28/61/774732861.db2.gz JZZUFUIOQXZESB-HNNXBMFYSA-N 1 3 303.406 0.664 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NC1CCN(C(=O)C2CCCC2)CC1 ZINC001220263615 774749983 /nfs/dbraw/zinc/74/99/83/774749983.db2.gz QVTKRHVGKPDVEH-AWEZNQCLSA-N 1 3 310.442 0.350 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114352545 774810397 /nfs/dbraw/zinc/81/03/97/774810397.db2.gz BZZHHQFLGGSDBQ-RFQIPJPRSA-N 1 3 301.406 0.095 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114352545 774810406 /nfs/dbraw/zinc/81/04/06/774810406.db2.gz BZZHHQFLGGSDBQ-RFQIPJPRSA-N 1 3 301.406 0.095 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21)C1CCC1 ZINC001114413476 774849979 /nfs/dbraw/zinc/84/99/79/774849979.db2.gz AQCZARPSVRQMAG-UTXMOHQDSA-N 1 3 307.438 0.554 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21)C1CCC1 ZINC001114413476 774849987 /nfs/dbraw/zinc/84/99/87/774849987.db2.gz AQCZARPSVRQMAG-UTXMOHQDSA-N 1 3 307.438 0.554 20 0 DCADHO O=C(N[C@H]1CCc2ccc(O)cc2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220592327 774857558 /nfs/dbraw/zinc/85/75/58/774857558.db2.gz HDQDJOHZDFHGDK-DZGCQCFKSA-N 1 3 301.390 0.175 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1)C(N)=O ZINC001202527108 774866000 /nfs/dbraw/zinc/86/60/00/774866000.db2.gz XNUYWVUHJPWNGY-LBPRGKRZSA-N 1 3 312.458 0.419 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220712261 774899347 /nfs/dbraw/zinc/89/93/47/774899347.db2.gz YGYBNLPCUZRWGQ-AAEUAGOBSA-N 1 3 324.812 0.776 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220712262 774899940 /nfs/dbraw/zinc/89/99/40/774899940.db2.gz YGYBNLPCUZRWGQ-WCQYABFASA-N 1 3 324.812 0.776 20 0 DCADHO COC(=O)C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CCCCC1 ZINC001220730315 774903991 /nfs/dbraw/zinc/90/39/91/774903991.db2.gz VFBPGCXRESRPQN-UONOGXRCSA-N 1 3 323.437 0.424 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220777363 774912634 /nfs/dbraw/zinc/91/26/34/774912634.db2.gz NWXCSOMHPUEOTJ-MAZHCROVSA-N 1 3 310.442 0.396 20 0 DCADHO COC[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)[C@@H](O)c1ccccc1 ZINC001220866408 774938699 /nfs/dbraw/zinc/93/86/99/774938699.db2.gz YCZRZDIWCGPTPU-XHSDSOJGSA-N 1 3 321.421 0.178 20 0 DCADHO O=C(N[C@H]1CCCc2nccnc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220949210 774959448 /nfs/dbraw/zinc/95/94/48/774959448.db2.gz UTPMJKSSEZBGKA-PVXIVEMSSA-N 1 3 301.394 0.169 20 0 DCADHO COc1ncccc1[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001221021851 774981216 /nfs/dbraw/zinc/98/12/16/774981216.db2.gz QAQYHZSAADKWPJ-QWHCGFSZSA-N 1 3 324.450 0.677 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000316778519 774984243 /nfs/dbraw/zinc/98/42/43/774984243.db2.gz VGVQXOGQZYGBKZ-DMDPSCGWSA-N 1 3 321.343 0.508 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121795 775000464 /nfs/dbraw/zinc/00/04/64/775000464.db2.gz RTOBJYRVOXOOFR-CQSZACIVSA-N 1 3 314.393 0.070 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cn(CC(F)(F)F)cn1 ZINC001221146480 775007094 /nfs/dbraw/zinc/00/70/94/775007094.db2.gz JGVCIUBVBARSNO-JTQLQIEISA-N 1 3 307.320 0.518 20 0 DCADHO CCCC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(N)=O ZINC001221234398 775035647 /nfs/dbraw/zinc/03/56/47/775035647.db2.gz HFUWDAROTDYTMT-STQMWFEESA-N 1 3 300.447 0.642 20 0 DCADHO O=C(NCC[C@H]1COc2ccccc2O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221292052 775055748 /nfs/dbraw/zinc/05/57/48/775055748.db2.gz DDUGGOQKKFJHMX-STQMWFEESA-N 1 3 317.389 0.142 20 0 DCADHO CC(=O)Nc1ccc([C@H](C)NC(=O)[C@@H](N)CSCC[NH3+])cc1 ZINC001221335609 775072895 /nfs/dbraw/zinc/07/28/95/775072895.db2.gz IHPVFVHAYIJVDK-HZMBPMFUSA-N 1 3 324.450 0.841 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001221397957 775086604 /nfs/dbraw/zinc/08/66/04/775086604.db2.gz QZKSTGGXKAWEMZ-XUWVNRHRSA-N 1 3 301.390 0.052 20 0 DCADHO C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046438 775252701 /nfs/dbraw/zinc/25/27/01/775252701.db2.gz CVIPHGRPHWHEJF-BZUAXINKSA-N 1 3 309.454 0.776 20 0 DCADHO COC(=O)c1cc(CN2CCNC3(CC[NH2+]CC3)C2)cn1C ZINC001222090665 775265843 /nfs/dbraw/zinc/26/58/43/775265843.db2.gz GHHRPSSQWVKNQS-UHFFFAOYSA-N 1 3 306.410 0.339 20 0 DCADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959142 775361559 /nfs/dbraw/zinc/36/15/59/775361559.db2.gz FURSIHKNZADAGD-BARDWOONSA-N 1 3 313.442 0.057 20 0 DCADHO CNc1ccc(C[N@@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)cc1 ZINC001222527515 775378485 /nfs/dbraw/zinc/37/84/85/775378485.db2.gz NARLQQFJMQYESG-QGZVFWFLSA-N 1 3 300.406 0.640 20 0 DCADHO CNc1ccc(C[N@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)cc1 ZINC001222527515 775378503 /nfs/dbraw/zinc/37/85/03/775378503.db2.gz NARLQQFJMQYESG-QGZVFWFLSA-N 1 3 300.406 0.640 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223472894 775493122 /nfs/dbraw/zinc/49/31/22/775493122.db2.gz XNEDXUOMZNRCRH-LSDHHAIUSA-N 1 3 324.469 0.419 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](CCOC)CC1 ZINC001227618393 775991052 /nfs/dbraw/zinc/99/10/52/775991052.db2.gz FNNNOTWEJWICHH-AWEZNQCLSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@H](C(=O)NC1CC[NH+](CCOCCOC)CC1)N(C)C ZINC001227979531 776032315 /nfs/dbraw/zinc/03/23/15/776032315.db2.gz IJCQWRQEVJUCPF-OAHLLOKOSA-N 1 3 315.458 0.570 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001228602732 776101497 /nfs/dbraw/zinc/10/14/97/776101497.db2.gz KEJRVAVULNDGBA-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001114778951 776117612 /nfs/dbraw/zinc/11/76/12/776117612.db2.gz URYIGSPDSMEWME-MEWQQHAOSA-N 1 3 323.359 0.298 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001229860685 776231183 /nfs/dbraw/zinc/23/11/83/776231183.db2.gz ZEDOMMMGNYXKMX-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001229860684 776231341 /nfs/dbraw/zinc/23/13/41/776231341.db2.gz ZEDOMMMGNYXKMX-KFWWJZLASA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001229908447 776235155 /nfs/dbraw/zinc/23/51/55/776235155.db2.gz LWSWXFYKJOAISB-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001229908447 776235161 /nfs/dbraw/zinc/23/51/61/776235161.db2.gz LWSWXFYKJOAISB-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138220 776258005 /nfs/dbraw/zinc/25/80/05/776258005.db2.gz KQYYEEDIKQCWBS-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138220 776258012 /nfs/dbraw/zinc/25/80/12/776258012.db2.gz KQYYEEDIKQCWBS-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230172478 776260783 /nfs/dbraw/zinc/26/07/83/776260783.db2.gz YNWFXTNMZUIENS-HUUCEWRRSA-N 1 3 324.469 0.755 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001317586845 945088559 /nfs/dbraw/zinc/08/85/59/945088559.db2.gz QSFUHYJOXQOEBV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001317586845 945088569 /nfs/dbraw/zinc/08/85/69/945088569.db2.gz QSFUHYJOXQOEBV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)n1 ZINC001317597971 945098334 /nfs/dbraw/zinc/09/83/34/945098334.db2.gz ILMAWHSKSCJYEM-HNNXBMFYSA-N 1 3 324.473 0.529 20 0 DCADHO CN(CC[NH2+]CCO[C@H]1CC1(F)F)C(=O)Cc1c[nH]cn1 ZINC001317633613 945130057 /nfs/dbraw/zinc/13/00/57/945130057.db2.gz GEURJYCFDATXDP-NSHDSACASA-N 1 3 302.325 0.424 20 0 DCADHO Cc1ncoc1C[NH2+]CCN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC001317663543 945153969 /nfs/dbraw/zinc/15/39/69/945153969.db2.gz ILDRMZJGTOWYEL-CYBMUJFWSA-N 1 3 324.425 0.499 20 0 DCADHO Cc1ncoc1CNCCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317663543 945153973 /nfs/dbraw/zinc/15/39/73/945153973.db2.gz ILDRMZJGTOWYEL-CYBMUJFWSA-N 1 3 324.425 0.499 20 0 DCADHO CCCCN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001278226397 945186178 /nfs/dbraw/zinc/18/61/78/945186178.db2.gz ZEDZQQQTUUCYJV-UONOGXRCSA-N 1 3 308.426 0.684 20 0 DCADHO Cn1nccc1CN[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266632834 939185003 /nfs/dbraw/zinc/18/50/03/939185003.db2.gz SAHPWQMUPHXREH-HDJSIYSDSA-N 1 3 307.442 0.889 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267023336 939313101 /nfs/dbraw/zinc/31/31/01/939313101.db2.gz WFULSHITJZZUII-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267023336 939313105 /nfs/dbraw/zinc/31/31/05/939313105.db2.gz WFULSHITJZZUII-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+]CCO)C2)c1 ZINC001267070177 939330436 /nfs/dbraw/zinc/33/04/36/939330436.db2.gz JOLPDOOPVHHAFK-OAHLLOKOSA-N 1 3 305.422 0.792 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)CCn1cccn1 ZINC001480950885 939470671 /nfs/dbraw/zinc/47/06/71/939470671.db2.gz MBNOZEJNYJXMPP-GJZGRUSLSA-N 1 3 307.442 0.804 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109945 939565166 /nfs/dbraw/zinc/56/51/66/939565166.db2.gz WSILASJBIPNADP-CQSZACIVSA-N 1 3 307.442 0.618 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481242784 939664165 /nfs/dbraw/zinc/66/41/65/939664165.db2.gz VWRGYZVEEOBLQG-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481242784 939664166 /nfs/dbraw/zinc/66/41/66/939664166.db2.gz VWRGYZVEEOBLQG-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C)N(C)C ZINC001408836342 939689638 /nfs/dbraw/zinc/68/96/38/939689638.db2.gz ZLNFUISQOLGZTG-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481343125 939754535 /nfs/dbraw/zinc/75/45/35/939754535.db2.gz MDMRTASKLJLUQM-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCCC(=O)NCC[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC001481445339 939795850 /nfs/dbraw/zinc/79/58/50/939795850.db2.gz VVGHXFRVTRGWJI-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001268085151 939931568 /nfs/dbraw/zinc/93/15/68/939931568.db2.gz GYNHWDWRFKKUEH-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001496443858 939972027 /nfs/dbraw/zinc/97/20/27/939972027.db2.gz IWTSRGUKXNBLHP-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cncn1C)N(C)C ZINC001268375694 940092061 /nfs/dbraw/zinc/09/20/61/940092061.db2.gz WJGHJPQCYXGBNJ-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)N(C)C ZINC001481826088 940152230 /nfs/dbraw/zinc/15/22/30/940152230.db2.gz PVRJHAGYUJRFQA-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN[C@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001481855250 940162044 /nfs/dbraw/zinc/16/20/44/940162044.db2.gz JXVCSSFZDMJRFN-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001268479462 940177399 /nfs/dbraw/zinc/17/73/99/940177399.db2.gz JDTZYEJJGZXKHY-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CCNCC(=O)NCC(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268496872 940193596 /nfs/dbraw/zinc/19/35/96/940193596.db2.gz AJNDTXAINWTNJH-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(CCNCC(=O)NCC(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268496872 940193599 /nfs/dbraw/zinc/19/35/99/940193599.db2.gz AJNDTXAINWTNJH-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO CNC(=O)[C@H](C)NCc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001482034322 940215769 /nfs/dbraw/zinc/21/57/69/940215769.db2.gz KBAOAWZICOAXFD-ZDUSSCGKSA-N 1 3 320.437 0.479 20 0 DCADHO OCCc1ccc(OC[C@@H](O)CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC001245980287 945304654 /nfs/dbraw/zinc/30/46/54/945304654.db2.gz IFJWWZZXINSPCJ-CVEARBPZSA-N 1 3 308.422 0.550 20 0 DCADHO O[C@H](CNC[C@@H]1CCC[NH2+]C1)COCC(F)(F)C(F)F ZINC001245984676 945304843 /nfs/dbraw/zinc/30/48/43/945304843.db2.gz XKNPUQNBPSHZHD-NXEZZACHSA-N 1 3 302.312 0.854 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001268589391 940271609 /nfs/dbraw/zinc/27/16/09/940271609.db2.gz UWPRYWHBYKVZQV-MHKRFPNSSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@@H](O)COc1ccc(CCO)cc1 ZINC001245986291 945308005 /nfs/dbraw/zinc/30/80/05/945308005.db2.gz XHZAIOJKVBOGGA-USXIJHARSA-N 1 3 322.449 0.939 20 0 DCADHO Cc1nnc([C@H](C)NC[C@H](C)CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001482139378 940280567 /nfs/dbraw/zinc/28/05/67/940280567.db2.gz UAICNHPFCYSXAZ-RYUDHWBXSA-N 1 3 322.457 0.858 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001268646805 940315382 /nfs/dbraw/zinc/31/53/82/940315382.db2.gz ZHYCNCHYBZSAHK-GDBMZVCRSA-N 1 3 321.469 0.930 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](NCC2([NH3+])CCCC2)C[C@H]1C(=O)OC ZINC001246076450 945334410 /nfs/dbraw/zinc/33/44/10/945334410.db2.gz PIHAYQGHFBRTMA-JHJVBQTASA-N 1 3 312.410 0.978 20 0 DCADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246085702 945335158 /nfs/dbraw/zinc/33/51/58/945335158.db2.gz YEOMEUUIJFYFFI-SFDCQRBFSA-N 1 3 302.390 0.760 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283893 940889725 /nfs/dbraw/zinc/88/97/25/940889725.db2.gz RCRDYLBRAKWLFU-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482283893 940889727 /nfs/dbraw/zinc/88/97/27/940889727.db2.gz RCRDYLBRAKWLFU-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001246199731 945360907 /nfs/dbraw/zinc/36/09/07/945360907.db2.gz ZZLLDGFETSQZHY-CHWSQXEVSA-N 1 3 320.455 0.332 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337484 941004773 /nfs/dbraw/zinc/00/47/73/941004773.db2.gz REDTWXIHOVTRPF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338695 941005649 /nfs/dbraw/zinc/00/56/49/941005649.db2.gz JJOVLGQYVKLXRC-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001482354018 941017700 /nfs/dbraw/zinc/01/77/00/941017700.db2.gz NBCLQTLFARSFNR-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC001203437902 941036193 /nfs/dbraw/zinc/03/61/93/941036193.db2.gz XBNRJYNJYTVYSS-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001482432192 941218817 /nfs/dbraw/zinc/21/88/17/941218817.db2.gz GGSHCCUXLNSIGT-ZFWWWQNUSA-N 1 3 324.425 0.442 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001482433604 941219783 /nfs/dbraw/zinc/21/97/83/941219783.db2.gz LCAJUNDDENBCGS-TZMCWYRMSA-N 1 3 321.425 0.305 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C(C)C)N(C)C ZINC001482564241 941506959 /nfs/dbraw/zinc/50/69/59/941506959.db2.gz BFRFVLRNYOIOMI-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCN(CCCC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001272017770 941522627 /nfs/dbraw/zinc/52/26/27/941522627.db2.gz AFGTYQUPAIEUJF-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(CCCC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001272017770 941522630 /nfs/dbraw/zinc/52/26/30/941522630.db2.gz AFGTYQUPAIEUJF-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001482767095 941654854 /nfs/dbraw/zinc/65/48/54/941654854.db2.gz KTIQVOUQOPEDLI-BBRMVZONSA-N 1 3 317.449 0.922 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CNC/C=C/Cl)CC1 ZINC001482781123 941662272 /nfs/dbraw/zinc/66/22/72/941662272.db2.gz NHERGJBCCIFEOJ-ZRFDWSJLSA-N 1 3 317.861 0.926 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482924319 941712645 /nfs/dbraw/zinc/71/26/45/941712645.db2.gz PMWIJRGWAZFJIL-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482924319 941712647 /nfs/dbraw/zinc/71/26/47/941712647.db2.gz PMWIJRGWAZFJIL-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001483197271 941933145 /nfs/dbraw/zinc/93/31/45/941933145.db2.gz CNFPPVPYAXBACB-CQSZACIVSA-N 1 3 309.458 0.934 20 0 DCADHO CCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409429265 941993104 /nfs/dbraw/zinc/99/31/04/941993104.db2.gz ZLJUKUYYSBCCNF-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccccc1CC[NH+](C)C ZINC001483251629 942206541 /nfs/dbraw/zinc/20/65/41/942206541.db2.gz HUWHUXJBTYWIFL-STQMWFEESA-N 1 3 320.437 0.372 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001483296527 942249507 /nfs/dbraw/zinc/24/95/07/942249507.db2.gz JMSGWFTZRBWTBF-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001483493041 942386175 /nfs/dbraw/zinc/38/61/75/942386175.db2.gz RDLXEZKZEBYDSI-UHFFFAOYSA-N 1 3 300.447 0.148 20 0 DCADHO CN1CCC[C@@H](NC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001483783909 942950000 /nfs/dbraw/zinc/95/00/00/942950000.db2.gz PDJHRRXMVZWUDR-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@@H](NC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001483783909 942950004 /nfs/dbraw/zinc/95/00/04/942950004.db2.gz PDJHRRXMVZWUDR-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001483915381 943020470 /nfs/dbraw/zinc/02/04/70/943020470.db2.gz WMULRZXGNRTRJO-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2CNCC(N)=O)CC1 ZINC001483950173 943049898 /nfs/dbraw/zinc/04/98/98/943049898.db2.gz JNBJLXXICDVAJQ-AWEZNQCLSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483955266 943053056 /nfs/dbraw/zinc/05/30/56/943053056.db2.gz DJAUXAFRBBTQLY-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483955266 943053062 /nfs/dbraw/zinc/05/30/62/943053062.db2.gz DJAUXAFRBBTQLY-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001484058805 943119497 /nfs/dbraw/zinc/11/94/97/943119497.db2.gz VBCSCDYUYAEISA-MRXNPFEDSA-N 1 3 307.442 0.495 20 0 DCADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N(CCO)CCNCCF ZINC001484486835 943426525 /nfs/dbraw/zinc/42/65/25/943426525.db2.gz BKCSENAYEUGFOZ-KGLIPLIRSA-N 1 3 301.406 0.383 20 0 DCADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N(CCO)CCNCCF ZINC001484486835 943426529 /nfs/dbraw/zinc/42/65/29/943426529.db2.gz BKCSENAYEUGFOZ-KGLIPLIRSA-N 1 3 301.406 0.383 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001484677560 943508164 /nfs/dbraw/zinc/50/81/64/943508164.db2.gz NTWLYQOACUGCGB-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](F)CC)C1 ZINC001484696512 943527544 /nfs/dbraw/zinc/52/75/44/943527544.db2.gz NTQRURBUXLMZKV-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CCC1(NCc2cnn(C)n2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484817238 943586607 /nfs/dbraw/zinc/58/66/07/943586607.db2.gz XJAKJDUWLFCQKC-UHFFFAOYSA-N 1 3 322.457 0.628 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001490898130 943586737 /nfs/dbraw/zinc/58/67/37/943586737.db2.gz XIMZJIHEQJBQSO-MGPQQGTHSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001485159142 943732411 /nfs/dbraw/zinc/73/24/11/943732411.db2.gz UXMWWGOMKZDQBF-CHWSQXEVSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001491141228 943787781 /nfs/dbraw/zinc/78/77/81/943787781.db2.gz FPJNGXINBJJDPW-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491456768 944011738 /nfs/dbraw/zinc/01/17/38/944011738.db2.gz JTUUZRRAPGPFAB-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001491455585 944012157 /nfs/dbraw/zinc/01/21/57/944012157.db2.gz RRAJMJVVIJHDID-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001491455585 944012162 /nfs/dbraw/zinc/01/21/62/944012162.db2.gz RRAJMJVVIJHDID-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]CCF)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001485638938 944044768 /nfs/dbraw/zinc/04/47/68/944044768.db2.gz MXPXIGWBBGVRPB-TZMCWYRMSA-N 1 3 301.406 0.646 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001485706999 944084896 /nfs/dbraw/zinc/08/48/96/944084896.db2.gz QYSWIOAPEIXZBL-HDJSIYSDSA-N 1 3 312.458 0.289 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C[C@H]4COC(C)(C)O4)CC3)[C@@H]2C1 ZINC001276436695 944170966 /nfs/dbraw/zinc/17/09/66/944170966.db2.gz SMYZOXFGDDGTON-BFHYXJOUSA-N 1 3 323.437 0.280 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C[C@H]4COC(C)(C)O4)CC3)[C@@H]2C1 ZINC001276436695 944170971 /nfs/dbraw/zinc/17/09/71/944170971.db2.gz SMYZOXFGDDGTON-BFHYXJOUSA-N 1 3 323.437 0.280 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001276822581 944315671 /nfs/dbraw/zinc/31/56/71/944315671.db2.gz YXNIQQDPEKSFED-ZIAGYGMSSA-N 1 3 303.422 0.892 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N(C)C ZINC001485886782 944382853 /nfs/dbraw/zinc/38/28/53/944382853.db2.gz ZZPQFWWUHRUSSG-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N(C)C ZINC001485886782 944382860 /nfs/dbraw/zinc/38/28/60/944382860.db2.gz ZZPQFWWUHRUSSG-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001485908610 944398005 /nfs/dbraw/zinc/39/80/05/944398005.db2.gz VYWICUKTHYAOIR-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2ccccc2)CC[N@H+]1C ZINC001485995542 944470442 /nfs/dbraw/zinc/47/04/42/944470442.db2.gz IXAPTWSOGHEVRZ-VNQPRFMTSA-N 1 3 305.422 0.594 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2ccccc2)CC[N@@H+]1C ZINC001485995542 944470436 /nfs/dbraw/zinc/47/04/36/944470436.db2.gz IXAPTWSOGHEVRZ-VNQPRFMTSA-N 1 3 305.422 0.594 20 0 DCADHO COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001485996687 944471708 /nfs/dbraw/zinc/47/17/08/944471708.db2.gz IIYYXVDKUKAKFU-UONOGXRCSA-N 1 3 315.458 0.353 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001486088303 944547012 /nfs/dbraw/zinc/54/70/12/944547012.db2.gz GTKAMNYJRXLBQV-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1nncc1CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001277602275 944903714 /nfs/dbraw/zinc/90/37/14/944903714.db2.gz WVZOGKBCHOAOPK-INIZCTEOSA-N 1 3 306.458 0.665 20 0 DCADHO C[NH+]1CCC(CN2CC[C@H]3C[C@]32C(=O)NCc2c[nH]cn2)CC1 ZINC001277797152 944981156 /nfs/dbraw/zinc/98/11/56/944981156.db2.gz PNHZSLCAQYOESU-WMLDXEAASA-N 1 3 317.437 0.832 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)CN1CCCC1 ZINC001486915135 945393220 /nfs/dbraw/zinc/39/32/20/945393220.db2.gz QLKVFIQEOMDVLM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)CCN1 ZINC001246465567 945415209 /nfs/dbraw/zinc/41/52/09/945415209.db2.gz ZPFGBHJZEOPKDC-WSOGJNRSSA-N 1 3 301.456 0.672 20 0 DCADHO CC(=O)N1CC[C@@H](N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001246520809 945424194 /nfs/dbraw/zinc/42/41/94/945424194.db2.gz UIAGOASRCSVWFM-CABCVRRESA-N 1 3 310.442 0.317 20 0 DCADHO c1nnn([C@@H]2CCC[C@H](N3CC[NH2+]C[C@@]4(CCCCN4)C3)C2)n1 ZINC001246637627 945448972 /nfs/dbraw/zinc/44/89/72/945448972.db2.gz ZAOMHHXDXUHFPI-XHSDSOJGSA-N 1 3 319.457 0.574 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2CN([C@H]3CC[NH2+][C@H](C(C)C)C3)C[C@@H]2N1 ZINC001246671518 945458825 /nfs/dbraw/zinc/45/88/25/945458825.db2.gz SIFPGSLZTQJTCR-CWVYHPPDSA-N 1 3 309.454 0.988 20 0 DCADHO COCCN1CCOC[C@@]2(CCCN([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246698235 945463081 /nfs/dbraw/zinc/46/30/81/945463081.db2.gz WRKDXSAWYGPQFF-SJORKVTESA-N 1 3 311.470 0.799 20 0 DCADHO C[C@@H]1CC[C@H](N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)C[NH2+]1 ZINC001246710307 945468627 /nfs/dbraw/zinc/46/86/27/945468627.db2.gz QXGUCMRBCHKHBG-UGUYLWEFSA-N 1 3 317.437 0.754 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@@H+]([C@@H]4CCCNC4)C[C@@H]3C2)cn1 ZINC001246714809 945470300 /nfs/dbraw/zinc/47/03/00/945470300.db2.gz NTWLZCXOISBZIT-IXDOHACOSA-N 1 3 303.454 0.926 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@H+]([C@@H]4CCCNC4)C[C@@H]3C2)cn1 ZINC001246714809 945470311 /nfs/dbraw/zinc/47/03/11/945470311.db2.gz NTWLZCXOISBZIT-IXDOHACOSA-N 1 3 303.454 0.926 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CCN1 ZINC001246719838 945473703 /nfs/dbraw/zinc/47/37/03/945473703.db2.gz CNIJTNBJQTVJND-OXGONZEZSA-N 1 3 323.437 0.218 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CCN1 ZINC001246719838 945473706 /nfs/dbraw/zinc/47/37/06/945473706.db2.gz CNIJTNBJQTVJND-OXGONZEZSA-N 1 3 323.437 0.218 20 0 DCADHO O=C([C@H]1COC[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]21)N1CCCO1 ZINC001246745462 945480601 /nfs/dbraw/zinc/48/06/01/945480601.db2.gz ODQJBHZHPXRAMO-BARDWOONSA-N 1 3 309.410 0.097 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CCN1 ZINC001246805493 945492880 /nfs/dbraw/zinc/49/28/80/945492880.db2.gz NSJXOGBMVFICDA-OSFYFWSMSA-N 1 3 303.410 0.455 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CCN1 ZINC001246805493 945492885 /nfs/dbraw/zinc/49/28/85/945492885.db2.gz NSJXOGBMVFICDA-OSFYFWSMSA-N 1 3 303.410 0.455 20 0 DCADHO COC(=O)[C@@H]1CNCCN1C1CCN(c2cc[nH+]cc2)CC1 ZINC001246856839 945505138 /nfs/dbraw/zinc/50/51/38/945505138.db2.gz GHUAEWRZFQHQFH-HNNXBMFYSA-N 1 3 304.394 0.497 20 0 DCADHO CN1CCN(Cc2cccc(-c3noc([C@@H](N)C[NH3+])n3)c2)CC1 ZINC001247685054 945568109 /nfs/dbraw/zinc/56/81/09/945568109.db2.gz PPTMFUHVHWTQAX-AWEZNQCLSA-N 1 3 316.409 0.443 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCCC[NH+]1CCCC1 ZINC001319594829 945626602 /nfs/dbraw/zinc/62/66/02/945626602.db2.gz XDJHWVLLSTXURP-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@@H](O)C[NH2+]CC(=O)N1CCN(C2CCCCC2)CC1 ZINC001252829279 946016492 /nfs/dbraw/zinc/01/64/92/946016492.db2.gz NFMHMLGQKFUKRX-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO O=C1CC[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252944658 946035937 /nfs/dbraw/zinc/03/59/37/946035937.db2.gz SXFZNBBRBRKNSN-NVXWUHKLSA-N 1 3 303.406 0.492 20 0 DCADHO O=C1CC[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252944658 946035949 /nfs/dbraw/zinc/03/59/49/946035949.db2.gz SXFZNBBRBRKNSN-NVXWUHKLSA-N 1 3 303.406 0.492 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320928141 946069666 /nfs/dbraw/zinc/06/96/66/946069666.db2.gz GZEVPUJTUILZOM-OKILXGFUSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320928141 946069676 /nfs/dbraw/zinc/06/96/76/946069676.db2.gz GZEVPUJTUILZOM-OKILXGFUSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001410233427 946070086 /nfs/dbraw/zinc/07/00/86/946070086.db2.gz WVLRWESKYYMJIT-MGPQQGTHSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CC)C[C@H](O)C[N@@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001253181144 946085755 /nfs/dbraw/zinc/08/57/55/946085755.db2.gz AVGRVRHMJQISQI-JYJNAYRXSA-N 1 3 309.454 0.489 20 0 DCADHO CCN(CC)C[C@H](O)C[N@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001253181144 946085769 /nfs/dbraw/zinc/08/57/69/946085769.db2.gz AVGRVRHMJQISQI-JYJNAYRXSA-N 1 3 309.454 0.489 20 0 DCADHO CCN(CC)C[C@H](O)C[N@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001253185460 946086380 /nfs/dbraw/zinc/08/63/80/946086380.db2.gz RRAFERJTIPJSLQ-XHSDSOJGSA-N 1 3 319.453 0.547 20 0 DCADHO CCN(CC)C[C@H](O)C[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001253185460 946086390 /nfs/dbraw/zinc/08/63/90/946086390.db2.gz RRAFERJTIPJSLQ-XHSDSOJGSA-N 1 3 319.453 0.547 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCOC)CCOCC1)N(C)C ZINC001278710599 946104129 /nfs/dbraw/zinc/10/41/29/946104129.db2.gz BNPNEWHNMKNQKV-CYBMUJFWSA-N 1 3 301.431 0.228 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001321096099 946164026 /nfs/dbraw/zinc/16/40/26/946164026.db2.gz GGESGNNVRNQINF-VIOGHGGCSA-N 1 3 322.453 0.401 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001321096099 946164030 /nfs/dbraw/zinc/16/40/30/946164030.db2.gz GGESGNNVRNQINF-VIOGHGGCSA-N 1 3 322.453 0.401 20 0 DCADHO CC(C)N1CCN(CC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253702564 946165926 /nfs/dbraw/zinc/16/59/26/946165926.db2.gz CWNFWJSKATVHIA-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO OC1(CNCc2cn[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC001254050033 946227153 /nfs/dbraw/zinc/22/71/53/946227153.db2.gz BOFVEAMBRJHWPS-UHFFFAOYSA-N 1 3 301.394 0.921 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001410371694 946265049 /nfs/dbraw/zinc/26/50/49/946265049.db2.gz AVVWXARRANXTQM-QEJZJMRPSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H]1CCCNC1=O)[NH+](C)C ZINC001321351741 946293094 /nfs/dbraw/zinc/29/30/94/946293094.db2.gz ZTKVWHHBNDWMFU-HLMASZERSA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1CCCC1=O)N(C)C ZINC001410400929 946306087 /nfs/dbraw/zinc/30/60/87/946306087.db2.gz XCZNZOTUHMQEFZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001410458115 946410484 /nfs/dbraw/zinc/41/04/84/946410484.db2.gz VBWFJTVLCSTLTC-DYEKYZERSA-N 1 3 322.457 0.780 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001410458115 946410491 /nfs/dbraw/zinc/41/04/91/946410491.db2.gz VBWFJTVLCSTLTC-DYEKYZERSA-N 1 3 322.457 0.780 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@@H]1CCCNC1=O ZINC001410519339 946508898 /nfs/dbraw/zinc/50/88/98/946508898.db2.gz QLBDRQIBFFVQBK-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@H]1CCCNC1=O ZINC001410519318 946509049 /nfs/dbraw/zinc/50/90/49/946509049.db2.gz QLBDRQIBFFVQBK-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CCC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001255485735 946517277 /nfs/dbraw/zinc/51/72/77/946517277.db2.gz QYWPGKVBGLIDRD-CYBMUJFWSA-N 1 3 317.437 0.935 20 0 DCADHO C[N@H+]1CCC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001255485735 946517286 /nfs/dbraw/zinc/51/72/86/946517286.db2.gz QYWPGKVBGLIDRD-CYBMUJFWSA-N 1 3 317.437 0.935 20 0 DCADHO COC[C@@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255570638 946525837 /nfs/dbraw/zinc/52/58/37/946525837.db2.gz JSYXYURPYPUSAN-CQSZACIVSA-N 1 3 307.438 0.845 20 0 DCADHO COC[C@@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255570638 946525845 /nfs/dbraw/zinc/52/58/45/946525845.db2.gz JSYXYURPYPUSAN-CQSZACIVSA-N 1 3 307.438 0.845 20 0 DCADHO CCC[NH+]1C[C@@H]2CN([C@@H](C)CC(=O)N3CCOCC3)C[C@H]2C1 ZINC001256350299 946622757 /nfs/dbraw/zinc/62/27/57/946622757.db2.gz TVMJHECNLNRMLJ-ARFHVFGLSA-N 1 3 309.454 0.897 20 0 DCADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CC(=O)N3CCOCC3)C[C@H]2C1 ZINC001256350299 946622763 /nfs/dbraw/zinc/62/27/63/946622763.db2.gz TVMJHECNLNRMLJ-ARFHVFGLSA-N 1 3 309.454 0.897 20 0 DCADHO [NH3+]C[C@@H](O)CNC1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256877322 946672077 /nfs/dbraw/zinc/67/20/77/946672077.db2.gz UZPUYDNJDCXBJQ-LLVKDONJSA-N 1 3 318.343 0.978 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001322543917 946717923 /nfs/dbraw/zinc/71/79/23/946717923.db2.gz OOAQNIZEHZLQOR-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001322831349 946826297 /nfs/dbraw/zinc/82/62/97/946826297.db2.gz JZDLQPURLJFLGE-CYBMUJFWSA-N 1 3 308.430 0.188 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001322831349 946826309 /nfs/dbraw/zinc/82/63/09/946826309.db2.gz JZDLQPURLJFLGE-CYBMUJFWSA-N 1 3 308.430 0.188 20 0 DCADHO Cc1ccc(C)c(CN[C@@H](CO)CNC(=O)CC[NH+](C)C)c1 ZINC001410728803 946850849 /nfs/dbraw/zinc/85/08/49/946850849.db2.gz KGDNHIWXHIBVRB-MRXNPFEDSA-N 1 3 307.438 0.822 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001410840619 947014009 /nfs/dbraw/zinc/01/40/09/947014009.db2.gz DARRBSNPGKXETF-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NC(C)(C)C)CCN1C(=O)CC[NH+](C)C ZINC001410847974 947023497 /nfs/dbraw/zinc/02/34/97/947023497.db2.gz JCTMXSLZKHMBHT-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001410861616 947044199 /nfs/dbraw/zinc/04/41/99/947044199.db2.gz UFGOXIHKRAXNBJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)C(C)(C)C1)N(C)C ZINC001411002038 947220226 /nfs/dbraw/zinc/22/02/26/947220226.db2.gz ZXINFRGXLOPHPP-BFHYXJOUSA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001411120324 947353746 /nfs/dbraw/zinc/35/37/46/947353746.db2.gz DXHGNWVLJSFKAP-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCn2cccn2)C1 ZINC001324225074 947358332 /nfs/dbraw/zinc/35/83/32/947358332.db2.gz HYKTUWVAXYKDPF-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C(C)(C)C ZINC001411215611 947496405 /nfs/dbraw/zinc/49/64/05/947496405.db2.gz HLACWHQINBGVPZ-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001262574276 947731175 /nfs/dbraw/zinc/73/11/75/947731175.db2.gz OPAXCPVNEFDTKP-QLFBSQMISA-N 1 3 309.458 0.206 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001325313129 947753169 /nfs/dbraw/zinc/75/31/69/947753169.db2.gz LSJXBTNFWARUCN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC(N)=O)N(C)C ZINC001179498962 947855638 /nfs/dbraw/zinc/85/56/38/947855638.db2.gz KMJKFCHALZFPRU-CQSZACIVSA-N 1 3 300.447 0.324 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001179580693 947876591 /nfs/dbraw/zinc/87/65/91/947876591.db2.gz MMTYZQYEPKGKAP-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273596481 947972839 /nfs/dbraw/zinc/97/28/39/947972839.db2.gz IVVGRFGSZJMOEO-OAHLLOKOSA-N 1 3 309.458 0.944 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1 ZINC001193639540 948010804 /nfs/dbraw/zinc/01/08/04/948010804.db2.gz ANWSFKFWEOERNP-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC001193639540 948010811 /nfs/dbraw/zinc/01/08/11/948010811.db2.gz ANWSFKFWEOERNP-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001326594014 948208352 /nfs/dbraw/zinc/20/83/52/948208352.db2.gz YUAFKRWXWLUZFR-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001264583730 949009815 /nfs/dbraw/zinc/00/98/15/949009815.db2.gz AFVUNDCPBUAALY-LBPRGKRZSA-N 1 3 321.425 0.640 20 0 DCADHO CCCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001264583730 949009832 /nfs/dbraw/zinc/00/98/32/949009832.db2.gz AFVUNDCPBUAALY-LBPRGKRZSA-N 1 3 321.425 0.640 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001488872431 949276410 /nfs/dbraw/zinc/27/64/10/949276410.db2.gz MOXYSIDTFWRNFP-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001265145797 949376878 /nfs/dbraw/zinc/37/68/78/949376878.db2.gz ALAYMAIEQUOKIQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001265145797 949376904 /nfs/dbraw/zinc/37/69/04/949376904.db2.gz ALAYMAIEQUOKIQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCO)[C@@H]2C1(C)C ZINC001489083432 949477674 /nfs/dbraw/zinc/47/76/74/949477674.db2.gz ALBNRGKYPSPEPT-BMFZPTHFSA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCO)[C@@H]2C1(C)C ZINC001489083432 949477685 /nfs/dbraw/zinc/47/76/85/949477685.db2.gz ALBNRGKYPSPEPT-BMFZPTHFSA-N 1 3 311.470 0.926 20 0 DCADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001265694384 949878797 /nfs/dbraw/zinc/87/87/97/949878797.db2.gz SBSUBQCMOXSQBF-HNNXBMFYSA-N 1 3 324.469 0.709 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)CCNC(=O)C1CC1 ZINC001265815184 949968047 /nfs/dbraw/zinc/96/80/47/949968047.db2.gz RCQFYWFKNGZJHL-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)CCNC(=O)C1CC1 ZINC001265815184 949968062 /nfs/dbraw/zinc/96/80/62/949968062.db2.gz RCQFYWFKNGZJHL-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCCNC1=O ZINC001265911992 950126953 /nfs/dbraw/zinc/12/69/53/950126953.db2.gz KXURESMYWRWORM-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)CN1CCC(C)CC1 ZINC001490261053 950516221 /nfs/dbraw/zinc/51/62/21/950516221.db2.gz HCQQBUQMXPVAFC-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)CN1CCC(C)CC1 ZINC001490261053 950516239 /nfs/dbraw/zinc/51/62/39/950516239.db2.gz HCQQBUQMXPVAFC-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(CCCC[NH3+])nn1 ZINC001330641739 950565476 /nfs/dbraw/zinc/56/54/76/950565476.db2.gz ZBBLBFKRSDZAJG-KBPBESRZSA-N 1 3 306.414 0.326 20 0 DCADHO C[C@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001330834776 950695839 /nfs/dbraw/zinc/69/58/39/950695839.db2.gz GFDBKDVNGNTRTP-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331028563 950836820 /nfs/dbraw/zinc/83/68/20/950836820.db2.gz BZOMNOWAWRJTBY-OAHLLOKOSA-N 1 3 322.453 0.236 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001331028563 950836841 /nfs/dbraw/zinc/83/68/41/950836841.db2.gz BZOMNOWAWRJTBY-OAHLLOKOSA-N 1 3 322.453 0.236 20 0 DCADHO CN(CC(=O)N[C@@H]1CC12CC[NH+](CCCO)CC2)C1CCC1 ZINC001490596591 950918243 /nfs/dbraw/zinc/91/82/43/950918243.db2.gz ZAXUCMBIXGTYAF-OAHLLOKOSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001490718436 951031400 /nfs/dbraw/zinc/03/14/00/951031400.db2.gz UHSUNFQHPDZUEN-KBPBESRZSA-N 1 3 310.442 0.219 20 0 DCADHO C[N@H+](CCOCCO)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490774093 951098177 /nfs/dbraw/zinc/09/81/77/951098177.db2.gz FTDVOTGJHUEADC-CQSZACIVSA-N 1 3 324.425 0.132 20 0 DCADHO C[N@@H+](CCOCCO)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490774093 951098186 /nfs/dbraw/zinc/09/81/86/951098186.db2.gz FTDVOTGJHUEADC-CQSZACIVSA-N 1 3 324.425 0.132 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001365817587 951578464 /nfs/dbraw/zinc/57/84/64/951578464.db2.gz HEISHHDDFXEMRF-RWMBFGLXSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001365817595 951580048 /nfs/dbraw/zinc/58/00/48/951580048.db2.gz HEISHHDDFXEMRF-UPJWGTAASA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001365826143 951586952 /nfs/dbraw/zinc/58/69/52/951586952.db2.gz LAXXKTGOJYGUQV-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001365838308 951603519 /nfs/dbraw/zinc/60/35/19/951603519.db2.gz INPZUXOTHAOYLB-JOCQHMNTSA-N 1 3 308.430 0.234 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001365855894 951621171 /nfs/dbraw/zinc/62/11/71/951621171.db2.gz PWHJNIOLMQZAEV-TUVASFSCSA-N 1 3 322.453 0.091 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001365875778 951639349 /nfs/dbraw/zinc/63/93/49/951639349.db2.gz NZVBBTGKQIEQEE-JJXSEGSLSA-N 1 3 309.454 0.489 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001365875778 951639355 /nfs/dbraw/zinc/63/93/55/951639355.db2.gz NZVBBTGKQIEQEE-JJXSEGSLSA-N 1 3 309.454 0.489 20 0 DCADHO CCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CCN1CC2 ZINC001275101773 951956996 /nfs/dbraw/zinc/95/69/96/951956996.db2.gz QNOUYFCPJBUEGP-XHSDSOJGSA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CCN1CC2 ZINC001275101773 951957000 /nfs/dbraw/zinc/95/70/00/951957000.db2.gz QNOUYFCPJBUEGP-XHSDSOJGSA-N 1 3 307.438 0.792 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCC1(C)C ZINC001333424158 952054407 /nfs/dbraw/zinc/05/44/07/952054407.db2.gz QPEGFZCOAQZIKE-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)CCc1cccc(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC001412196399 952689348 /nfs/dbraw/zinc/68/93/48/952689348.db2.gz QAHFKELARRIITJ-QGZVFWFLSA-N 1 3 319.449 0.977 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001276173192 952967284 /nfs/dbraw/zinc/96/72/84/952967284.db2.gz CMUJMBKWRMHNBM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN1CCC(C)CC1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001338466567 953016566 /nfs/dbraw/zinc/01/65/66/953016566.db2.gz JIONGDBWLRQVLH-SJORKVTESA-N 1 3 312.502 0.305 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C2(C[NH3+])CC(O)C2)C[C@@H](C)O1 ZINC001340184958 953152861 /nfs/dbraw/zinc/15/28/61/953152861.db2.gz QCMGOQWFGVTZJU-NOZYUVCASA-N 1 3 313.442 0.092 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001341714682 953246697 /nfs/dbraw/zinc/24/66/97/953246697.db2.gz OPWKTMNJYPGOIX-GFCCVEGCSA-N 1 3 309.414 0.375 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001341714682 953246699 /nfs/dbraw/zinc/24/66/99/953246699.db2.gz OPWKTMNJYPGOIX-GFCCVEGCSA-N 1 3 309.414 0.375 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001365884723 953360124 /nfs/dbraw/zinc/36/01/24/953360124.db2.gz ALHFZHHKPOAZKE-KBXIAJHMSA-N 1 3 315.458 0.159 20 0 DCADHO COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001365884723 953360131 /nfs/dbraw/zinc/36/01/31/953360131.db2.gz ALHFZHHKPOAZKE-KBXIAJHMSA-N 1 3 315.458 0.159 20 0 DCADHO Cn1nncc1CN[C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001365888823 953364383 /nfs/dbraw/zinc/36/43/83/953364383.db2.gz LJNFFXXGHIXELP-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001365919512 953410815 /nfs/dbraw/zinc/41/08/15/953410815.db2.gz DTYODLUTOHSSSG-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001366091772 953672941 /nfs/dbraw/zinc/67/29/41/953672941.db2.gz LNDRKEQGBZMYEX-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001366096307 953676562 /nfs/dbraw/zinc/67/65/62/953676562.db2.gz VZVUAXRGWMFMGG-FPMFFAJLSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001366099503 953683494 /nfs/dbraw/zinc/68/34/94/953683494.db2.gz OQCVTRJSUCAUMW-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001366135052 953727981 /nfs/dbraw/zinc/72/79/81/953727981.db2.gz YCYNIORJLVUFBW-SHTZXODSSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001366166958 953765107 /nfs/dbraw/zinc/76/51/07/953765107.db2.gz JKVFISCOXGLEOA-MCIONIFRSA-N 1 3 312.458 0.478 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366192351 953801500 /nfs/dbraw/zinc/80/15/00/953801500.db2.gz NPDLQCRZGPZAJL-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283026400 953930886 /nfs/dbraw/zinc/93/08/86/953930886.db2.gz ZAMIMFAYLJQSEE-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283026400 953930896 /nfs/dbraw/zinc/93/08/96/953930896.db2.gz ZAMIMFAYLJQSEE-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001366365441 954104631 /nfs/dbraw/zinc/10/46/31/954104631.db2.gz WNMKUVVERMRNOU-PWSUYJOCSA-N 1 3 317.397 0.134 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366405181 954158907 /nfs/dbraw/zinc/15/89/07/954158907.db2.gz DJTZRTWBBMHHME-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nnsc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001366456543 954220158 /nfs/dbraw/zinc/22/01/58/954220158.db2.gz WYVVEZAWIGQCNN-JQWIXIFHSA-N 1 3 311.455 0.925 20 0 DCADHO C/C(=C/C(=O)N[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC001348794083 954468325 /nfs/dbraw/zinc/46/83/25/954468325.db2.gz REGGDECOWJWBGI-TZNPFNDMSA-N 1 3 322.453 0.354 20 0 DCADHO C/C(=C/C(=O)N[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC001348794083 954468333 /nfs/dbraw/zinc/46/83/33/954468333.db2.gz REGGDECOWJWBGI-TZNPFNDMSA-N 1 3 322.453 0.354 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001349173407 954632824 /nfs/dbraw/zinc/63/28/24/954632824.db2.gz DWHLJCQTQCRVLK-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001349195532 954643647 /nfs/dbraw/zinc/64/36/47/954643647.db2.gz GHHXTSDNYXVSCX-OLZOCXBDSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283928490 954722161 /nfs/dbraw/zinc/72/21/61/954722161.db2.gz SBXQFGZPSLZOMB-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nnc(CN[C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001446946707 1013128142 /nfs/dbraw/zinc/12/81/42/1013128142.db2.gz VYBJYUKRSVMHOW-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO C[C@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001366780008 954840059 /nfs/dbraw/zinc/84/00/59/954840059.db2.gz VIAAMQBXGJHMBQ-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001366818287 954880346 /nfs/dbraw/zinc/88/03/46/954880346.db2.gz LHIJDNSTSFVNHM-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](C(=O)N(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001351509145 955316985 /nfs/dbraw/zinc/31/69/85/955316985.db2.gz CADBWGMTHZPMCO-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001351509145 955316995 /nfs/dbraw/zinc/31/69/95/955316995.db2.gz CADBWGMTHZPMCO-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001367175669 955432544 /nfs/dbraw/zinc/43/25/44/955432544.db2.gz ASUYZYOBGVJLQL-WBMJQRKESA-N 1 3 312.458 0.336 20 0 DCADHO CCCN(C)CC(=O)N[C@](C)(C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001367196394 955453419 /nfs/dbraw/zinc/45/34/19/955453419.db2.gz LFUWLOOJQDPDJJ-WMLDXEAASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cncn1C)N(C)C ZINC001367288109 955592970 /nfs/dbraw/zinc/59/29/70/955592970.db2.gz NEKSAGWTJDXVKT-HIFRSBDPSA-N 1 3 309.458 0.848 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001367328517 955648508 /nfs/dbraw/zinc/64/85/08/955648508.db2.gz PRVREZAIMCTCPP-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001367328517 955648516 /nfs/dbraw/zinc/64/85/16/955648516.db2.gz PRVREZAIMCTCPP-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO Cc1nncn1CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353317423 956017016 /nfs/dbraw/zinc/01/70/16/956017016.db2.gz WQLVAZVHALZHSR-KRWDZBQOSA-N 1 3 315.421 0.813 20 0 DCADHO Cc1nncn1CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001353317423 956017029 /nfs/dbraw/zinc/01/70/29/956017029.db2.gz WQLVAZVHALZHSR-KRWDZBQOSA-N 1 3 315.421 0.813 20 0 DCADHO [NH3+]CC1(C(=O)NCCCN2CCc3ccccc3C2)CC(O)C1 ZINC001353482435 956077819 /nfs/dbraw/zinc/07/78/19/956077819.db2.gz LKYPPGFBPGVLCO-UHFFFAOYSA-N 1 3 317.433 0.651 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001353494188 956083474 /nfs/dbraw/zinc/08/34/74/956083474.db2.gz BESZNYILOIEMFT-GFCCVEGCSA-N 1 3 309.414 0.375 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)c1cc2n(n1)CCC[C@H]2N ZINC001353494188 956083488 /nfs/dbraw/zinc/08/34/88/956083488.db2.gz BESZNYILOIEMFT-GFCCVEGCSA-N 1 3 309.414 0.375 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001367370086 957730077 /nfs/dbraw/zinc/73/00/77/957730077.db2.gz NNTDHINCCSHWID-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001367370086 957730087 /nfs/dbraw/zinc/73/00/87/957730087.db2.gz NNTDHINCCSHWID-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001367621682 958199656 /nfs/dbraw/zinc/19/96/56/958199656.db2.gz KZTZXWUKKWALPL-KGLIPLIRSA-N 1 3 313.467 0.963 20 0 DCADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)c1 ZINC001367674780 958331618 /nfs/dbraw/zinc/33/16/18/958331618.db2.gz IBXTYZSRUWMTIK-CYBMUJFWSA-N 1 3 302.382 0.584 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001367675757 958334297 /nfs/dbraw/zinc/33/42/97/958334297.db2.gz LWBQERPMZZRSDR-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367743763 958484075 /nfs/dbraw/zinc/48/40/75/958484075.db2.gz YGPSSTAUAQVGFC-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367743763 958484093 /nfs/dbraw/zinc/48/40/93/958484093.db2.gz YGPSSTAUAQVGFC-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCC(=O)NCC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367770322 958538161 /nfs/dbraw/zinc/53/81/61/958538161.db2.gz GKNCNMYYANBLJB-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[C@H](C)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367770984 958542190 /nfs/dbraw/zinc/54/21/90/958542190.db2.gz JJKLAVZPQHWSDB-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001367777968 958557041 /nfs/dbraw/zinc/55/70/41/958557041.db2.gz ZHUADLKAFHNAJO-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001298412336 958590439 /nfs/dbraw/zinc/59/04/39/958590439.db2.gz FIOSGKWEFJTSBH-WJNHHXLDSA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001298412336 958590450 /nfs/dbraw/zinc/59/04/50/958590450.db2.gz FIOSGKWEFJTSBH-WJNHHXLDSA-N 1 3 324.469 0.313 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001367854003 958714406 /nfs/dbraw/zinc/71/44/06/958714406.db2.gz VDCCCGFIDVSFQS-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001367854003 958714425 /nfs/dbraw/zinc/71/44/25/958714425.db2.gz VDCCCGFIDVSFQS-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)n[nH]1 ZINC001367899988 958812336 /nfs/dbraw/zinc/81/23/36/958812336.db2.gz BBDFHPVCMWUVPY-ZDUSSCGKSA-N 1 3 320.441 0.439 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NC1CC1 ZINC001376780434 958818684 /nfs/dbraw/zinc/81/86/84/958818684.db2.gz BEAIBSIHPVFPFP-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)N2CCCC2)CCC1 ZINC001376819255 958914140 /nfs/dbraw/zinc/91/41/40/958914140.db2.gz OCTHHJYJMVTXPX-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001491636724 958985668 /nfs/dbraw/zinc/98/56/68/958985668.db2.gz LVKQGFOTFPUVDI-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001491636724 958985680 /nfs/dbraw/zinc/98/56/80/958985680.db2.gz LVKQGFOTFPUVDI-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]C[C@@H]2CCNC(=O)CC2)CC1)N(C)C ZINC001368015107 959092748 /nfs/dbraw/zinc/09/27/48/959092748.db2.gz RLMOHLJYBVFHTG-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376967332 959221073 /nfs/dbraw/zinc/22/10/73/959221073.db2.gz SUVFQYUYHACXRM-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC)C[C@H]1C ZINC001368111185 959261642 /nfs/dbraw/zinc/26/16/42/959261642.db2.gz WMCQLJBAMVREBL-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@H+](CCC)C2)CC1 ZINC001368146607 959322300 /nfs/dbraw/zinc/32/23/00/959322300.db2.gz QDMLNHSYLMVCQN-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001368146607 959322315 /nfs/dbraw/zinc/32/23/15/959322315.db2.gz QDMLNHSYLMVCQN-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2cnns2)C1 ZINC001368175426 959409751 /nfs/dbraw/zinc/40/97/51/959409751.db2.gz WAJWMIOREVAXKQ-ZFWWWQNUSA-N 1 3 323.466 0.961 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377099636 959463989 /nfs/dbraw/zinc/46/39/89/959463989.db2.gz PUYPSSPAOFNERU-GFCCVEGCSA-N 1 3 318.425 0.721 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001492144011 959632891 /nfs/dbraw/zinc/63/28/91/959632891.db2.gz OXGRKXLSROMNJR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001492144011 959632903 /nfs/dbraw/zinc/63/29/03/959632903.db2.gz OXGRKXLSROMNJR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001368452418 959886223 /nfs/dbraw/zinc/88/62/23/959886223.db2.gz VJGQODSHNAELTH-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@@H](C)C1 ZINC001377381706 960000890 /nfs/dbraw/zinc/00/08/90/960000890.db2.gz KCWRVLCCWBBXFG-GJZGRUSLSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H](C)C1 ZINC001377381706 960000901 /nfs/dbraw/zinc/00/09/01/960000901.db2.gz KCWRVLCCWBBXFG-GJZGRUSLSA-N 1 3 322.457 0.587 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001368658337 960129931 /nfs/dbraw/zinc/12/99/31/960129931.db2.gz UYEJHOUTDUDMSF-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC001377461926 960140918 /nfs/dbraw/zinc/14/09/18/960140918.db2.gz LLSVKCOCGNHIOB-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@H](C)C(=O)N(C)C)C1 ZINC001377461926 960140924 /nfs/dbraw/zinc/14/09/24/960140924.db2.gz LLSVKCOCGNHIOB-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](CNCC(N)=O)C1 ZINC001368669456 960142464 /nfs/dbraw/zinc/14/24/64/960142464.db2.gz UIGKCRXQRCFSNB-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](CNCC(N)=O)C1 ZINC001368669456 960142468 /nfs/dbraw/zinc/14/24/68/960142468.db2.gz UIGKCRXQRCFSNB-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001377488548 960179606 /nfs/dbraw/zinc/17/96/06/960179606.db2.gz OHNXRJTYTSSOMV-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnnn1C ZINC001377525807 960232262 /nfs/dbraw/zinc/23/22/62/960232262.db2.gz RAMKKGSYFRZJTI-DZGCQCFKSA-N 1 3 322.457 0.674 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368764641 960240016 /nfs/dbraw/zinc/24/00/16/960240016.db2.gz YYWCPNQEPCGVKS-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001368782886 960260580 /nfs/dbraw/zinc/26/05/80/960260580.db2.gz ALHFZHHKPOAZKE-CBBWQLFWSA-N 1 3 315.458 0.159 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H]1C ZINC001368782886 960260586 /nfs/dbraw/zinc/26/05/86/960260586.db2.gz ALHFZHHKPOAZKE-CBBWQLFWSA-N 1 3 315.458 0.159 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001368809291 960302630 /nfs/dbraw/zinc/30/26/30/960302630.db2.gz QKWOFYNBYYNHMK-LSDHHAIUSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001368809291 960302640 /nfs/dbraw/zinc/30/26/40/960302640.db2.gz QKWOFYNBYYNHMK-LSDHHAIUSA-N 1 3 313.442 0.012 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001377596846 960337483 /nfs/dbraw/zinc/33/74/83/960337483.db2.gz VDOBLBAQJUCQPH-KBPBESRZSA-N 1 3 314.474 0.630 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(N)=O ZINC001377597787 960340367 /nfs/dbraw/zinc/34/03/67/960340367.db2.gz XBANQGVMRIGLLZ-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C)C(N)=O ZINC001377597787 960340375 /nfs/dbraw/zinc/34/03/75/960340375.db2.gz XBANQGVMRIGLLZ-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC001363266413 960739623 /nfs/dbraw/zinc/73/96/23/960739623.db2.gz SIEJZGIPTYVHIQ-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CCN1CCC([N@H+]2CCCN([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC001363266413 960739639 /nfs/dbraw/zinc/73/96/39/960739639.db2.gz SIEJZGIPTYVHIQ-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001378858358 961613632 /nfs/dbraw/zinc/61/36/32/961613632.db2.gz OKVZSDRXNOFTON-OLZOCXBDSA-N 1 3 312.458 0.430 20 0 DCADHO CNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001378919756 961706410 /nfs/dbraw/zinc/70/64/10/961706410.db2.gz KBSLIBUWBCMESJ-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(=O)NC)C1CC1 ZINC001379031299 961919499 /nfs/dbraw/zinc/91/94/99/961919499.db2.gz ZYOFZCYUMJAHOL-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(=O)NC)C1CC1 ZINC001379031299 961919508 /nfs/dbraw/zinc/91/95/08/961919508.db2.gz ZYOFZCYUMJAHOL-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N1CCCCC1 ZINC001379109446 962125264 /nfs/dbraw/zinc/12/52/64/962125264.db2.gz UGHRMODWQMTKNP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+]1CCC(CN2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC001363954301 962187941 /nfs/dbraw/zinc/18/79/41/962187941.db2.gz XJSKVXKPOUMLAG-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001379205205 962361818 /nfs/dbraw/zinc/36/18/18/962361818.db2.gz KBBSHHAYJXICRO-OAHLLOKOSA-N 1 3 323.412 0.877 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001379209121 962366484 /nfs/dbraw/zinc/36/64/84/962366484.db2.gz VOFOLAASHOKDES-MRXNPFEDSA-N 1 3 323.412 0.877 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCn1cc(Cl)cn1 ZINC001379240046 962439585 /nfs/dbraw/zinc/43/95/85/962439585.db2.gz HTAWMUZZXBUSRA-LLVKDONJSA-N 1 3 324.816 0.939 20 0 DCADHO COC[C@H](O)C[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001380000363 962474149 /nfs/dbraw/zinc/47/41/49/962474149.db2.gz SCRARZRWWMMKMJ-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)C[N@@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001380000363 962474158 /nfs/dbraw/zinc/47/41/58/962474158.db2.gz SCRARZRWWMMKMJ-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO C[NH+]1CCC(CC(=O)NC[C@H](O)CNCc2cccnc2)CC1 ZINC001379262007 962487408 /nfs/dbraw/zinc/48/74/08/962487408.db2.gz WLYACNSABZFZBG-MRXNPFEDSA-N 1 3 320.437 0.380 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001379321022 962622378 /nfs/dbraw/zinc/62/23/78/962622378.db2.gz QTEKZKYBPUVTJL-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C(C)(C)C ZINC001380097211 962664374 /nfs/dbraw/zinc/66/43/74/962664374.db2.gz WEZBRWJBOBKGMK-QWHCGFSZSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001380096434 962665508 /nfs/dbraw/zinc/66/55/08/962665508.db2.gz RMPGNCAILBOTEB-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001380160192 962795619 /nfs/dbraw/zinc/79/56/19/962795619.db2.gz RBDJXBKKVWOTKZ-TZMCWYRMSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C(=O)NC1CC1 ZINC001380282545 962983389 /nfs/dbraw/zinc/98/33/89/962983389.db2.gz FMQGOYDVADCKDQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001380288315 962995405 /nfs/dbraw/zinc/99/54/05/962995405.db2.gz SBKRQXAERMIQAW-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001380287589 962997165 /nfs/dbraw/zinc/99/71/65/962997165.db2.gz BEGLNICQMCRXMO-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380290487 963001038 /nfs/dbraw/zinc/00/10/38/963001038.db2.gz FHOWTOKTISTKII-SHARSMKWSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380290487 963001053 /nfs/dbraw/zinc/00/10/53/963001053.db2.gz FHOWTOKTISTKII-SHARSMKWSA-N 1 3 324.469 0.289 20 0 DCADHO Cc1cccc(C)c1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379529636 963136184 /nfs/dbraw/zinc/13/61/84/963136184.db2.gz QPSOGEUFOVXMRU-HZPDHXFCSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cccc(C)c1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379529636 963136193 /nfs/dbraw/zinc/13/61/93/963136193.db2.gz QPSOGEUFOVXMRU-HZPDHXFCSA-N 1 3 319.449 0.822 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379599598 963245974 /nfs/dbraw/zinc/24/59/74/963245974.db2.gz NUKSFTCCLAOXQB-WCQYABFASA-N 1 3 308.430 0.152 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379599598 963245985 /nfs/dbraw/zinc/24/59/85/963245985.db2.gz NUKSFTCCLAOXQB-WCQYABFASA-N 1 3 308.430 0.152 20 0 DCADHO C[C@H]([NH2+]CC(=O)NC1CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001380677170 963481899 /nfs/dbraw/zinc/48/18/99/963481899.db2.gz VZHMKFFRGGXZLK-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)CCC1 ZINC001380699016 963499936 /nfs/dbraw/zinc/49/99/36/963499936.db2.gz UQNYPQQLXKVLAL-HDJSIYSDSA-N 1 3 324.469 0.468 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001380835492 963621489 /nfs/dbraw/zinc/62/14/89/963621489.db2.gz YRIFOSMBXXUGLL-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001381103186 963816561 /nfs/dbraw/zinc/81/65/61/963816561.db2.gz MCNCNPQFKRIRSU-GXTWGEPZSA-N 1 3 322.457 0.495 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001381108279 963820059 /nfs/dbraw/zinc/82/00/59/963820059.db2.gz NCGZMSHHFIXENJ-DZGCQCFKSA-N 1 3 307.442 0.697 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001430431356 1013464097 /nfs/dbraw/zinc/46/40/97/1013464097.db2.gz PRFHQRJYEKEXLS-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001375271385 964192614 /nfs/dbraw/zinc/19/26/14/964192614.db2.gz MXYVZBNVXGAYNJ-SWLSCSKDSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001375271385 964192622 /nfs/dbraw/zinc/19/26/22/964192622.db2.gz MXYVZBNVXGAYNJ-SWLSCSKDSA-N 1 3 322.453 0.091 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1 ZINC001430455195 1013491311 /nfs/dbraw/zinc/49/13/11/1013491311.db2.gz JHADRKNOAKYFBJ-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001373912940 964779486 /nfs/dbraw/zinc/77/94/86/964779486.db2.gz SPWSXDIMSFEHCB-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001373923484 964786972 /nfs/dbraw/zinc/78/69/72/964786972.db2.gz OQMIOMXSLITAJJ-MGPQQGTHSA-N 1 3 312.458 0.478 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001375757348 964800036 /nfs/dbraw/zinc/80/00/36/964800036.db2.gz CYXFCPMZUUYACZ-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001375766172 964813302 /nfs/dbraw/zinc/81/33/02/964813302.db2.gz ARICMRGWIZUEJF-GOEBONIOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)CNCc1ccn(C)n1)[NH+](C)C ZINC001374096325 965007168 /nfs/dbraw/zinc/00/71/68/965007168.db2.gz GETQOEHZZZGTDJ-UKRRQHHQSA-N 1 3 309.458 0.848 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCCC1 ZINC001374160976 965084394 /nfs/dbraw/zinc/08/43/94/965084394.db2.gz FRYFNKRUHMRGRD-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)CC1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001374207704 965133892 /nfs/dbraw/zinc/13/38/92/965133892.db2.gz SNTTWJLZXMEACU-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374289945 965233087 /nfs/dbraw/zinc/23/30/87/965233087.db2.gz YHJRBINELGAEAD-CHWSQXEVSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001374352961 965306912 /nfs/dbraw/zinc/30/69/12/965306912.db2.gz RDVBKSGHXDQQIK-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CN(CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@H]1CCCN1C ZINC001376217391 965394140 /nfs/dbraw/zinc/39/41/40/965394140.db2.gz AKZSQPUYBUJCTK-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369834184 965467837 /nfs/dbraw/zinc/46/78/37/965467837.db2.gz AOUHTVBAHKDYDQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369834184 965467845 /nfs/dbraw/zinc/46/78/45/965467845.db2.gz AOUHTVBAHKDYDQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001376328261 965527233 /nfs/dbraw/zinc/52/72/33/965527233.db2.gz FCSXUYLEOKZUSR-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376345977 965547092 /nfs/dbraw/zinc/54/70/92/965547092.db2.gz NWPFGZBMQCRZKW-CHWSQXEVSA-N 1 3 321.425 0.303 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001374572406 965550916 /nfs/dbraw/zinc/55/09/16/965550916.db2.gz LXCCMLGCDKOMHE-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001376376025 965587927 /nfs/dbraw/zinc/58/79/27/965587927.db2.gz PRIYYKTZHLJTQI-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001376381019 965594903 /nfs/dbraw/zinc/59/49/03/965594903.db2.gz YNRCEWBOPILZDP-BTTYYORXSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001376381019 965594914 /nfs/dbraw/zinc/59/49/14/965594914.db2.gz YNRCEWBOPILZDP-BTTYYORXSA-N 1 3 310.442 0.171 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001374639250 965685468 /nfs/dbraw/zinc/68/54/68/965685468.db2.gz SYAJCMZQRQKDOX-CQSZACIVSA-N 1 3 320.437 0.299 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C)N(C)C ZINC001374667182 965727492 /nfs/dbraw/zinc/72/74/92/965727492.db2.gz BZUWLZHKSXYGRK-CVEARBPZSA-N 1 3 307.438 0.902 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001374669019 965730930 /nfs/dbraw/zinc/73/09/30/965730930.db2.gz NSOXLXMKFZQEII-CYBMUJFWSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001374669019 965730939 /nfs/dbraw/zinc/73/09/39/965730939.db2.gz NSOXLXMKFZQEII-CYBMUJFWSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001376610569 965888713 /nfs/dbraw/zinc/88/87/13/965888713.db2.gz OKKFFSZEXSSGLY-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)N(C)C)CC[N@H+]1C ZINC001376610569 965888723 /nfs/dbraw/zinc/88/87/23/965888723.db2.gz OKKFFSZEXSSGLY-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N1CC2(C1)CCN([C@@H]1CCCNC1=O)CC2 ZINC001376623369 965904652 /nfs/dbraw/zinc/90/46/52/965904652.db2.gz JTGQVEFKAHGJNA-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001370231450 965908993 /nfs/dbraw/zinc/90/89/93/965908993.db2.gz FSYAECQOUBNLOZ-XQLPTFJDSA-N 1 3 324.469 0.099 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001376729324 966078180 /nfs/dbraw/zinc/07/81/80/966078180.db2.gz FOUJIRHKYHKBQB-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001376729324 966078191 /nfs/dbraw/zinc/07/81/91/966078191.db2.gz FOUJIRHKYHKBQB-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1)[NH+](C)C ZINC001370405836 966087990 /nfs/dbraw/zinc/08/79/90/966087990.db2.gz RSSMFNRHHNKDGG-HOCLYGCPSA-N 1 3 324.469 0.289 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)n1 ZINC001376754022 966120638 /nfs/dbraw/zinc/12/06/38/966120638.db2.gz WESOZDUVDOUTAF-LBPRGKRZSA-N 1 3 322.457 0.474 20 0 DCADHO C[C@@H](CN(C)CCn1cc(Cl)cn1)NC(=O)CC[NH+](C)C ZINC001375095757 966345954 /nfs/dbraw/zinc/34/59/54/966345954.db2.gz CMYBANRXGZPKSO-LBPRGKRZSA-N 1 3 315.849 0.925 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370952435 966614933 /nfs/dbraw/zinc/61/49/33/966614933.db2.gz RPFZKUBSYIPKQF-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370952435 966614939 /nfs/dbraw/zinc/61/49/39/966614939.db2.gz RPFZKUBSYIPKQF-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCCN1C)[NH2+]CC(N)=O ZINC001381714864 966647999 /nfs/dbraw/zinc/64/79/99/966647999.db2.gz OAAAEQCLWUXTIM-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCCN1C)[NH2+]CC(N)=O ZINC001381714863 966648094 /nfs/dbraw/zinc/64/80/94/966648094.db2.gz OAAAEQCLWUXTIM-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1)[NH+](C)C ZINC001381966077 966822173 /nfs/dbraw/zinc/82/21/73/966822173.db2.gz KUDNWTFZFNLSBB-IIAWOOMASA-N 1 3 321.469 0.991 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381974859 966833101 /nfs/dbraw/zinc/83/31/01/966833101.db2.gz PBGDEAUHOUINLN-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381974859 966833114 /nfs/dbraw/zinc/83/31/14/966833114.db2.gz PBGDEAUHOUINLN-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCc1cncn1C)C1CC1 ZINC001382044439 966885805 /nfs/dbraw/zinc/88/58/05/966885805.db2.gz QSRVUEQTPHNMEZ-HNNXBMFYSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cnn(C)c1 ZINC001371308711 966889471 /nfs/dbraw/zinc/88/94/71/966889471.db2.gz QAMDMQHOJBGJLI-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NC/C=C\Cl ZINC001371397637 966962968 /nfs/dbraw/zinc/96/29/68/966962968.db2.gz WRORZMROOWJHCP-RYBZSIHZSA-N 1 3 303.834 0.944 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001382145163 966980260 /nfs/dbraw/zinc/98/02/60/966980260.db2.gz YAGFVHBDTSDCLR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001382145163 966980264 /nfs/dbraw/zinc/98/02/64/966980264.db2.gz YAGFVHBDTSDCLR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371428802 966984262 /nfs/dbraw/zinc/98/42/62/966984262.db2.gz NILOOUXFAYRACD-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCCN(C)C1=O ZINC001371468108 967017066 /nfs/dbraw/zinc/01/70/66/967017066.db2.gz TZMJJXCMPXRMDS-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2ccc(F)cc2)CC[N@@H+]1C ZINC001382208916 967070682 /nfs/dbraw/zinc/07/06/82/967070682.db2.gz MARMAZSVQBIBRH-UHOFOFEASA-N 1 3 323.412 0.733 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCc2ccc(F)cc2)CC[N@H+]1C ZINC001382208916 967070693 /nfs/dbraw/zinc/07/06/93/967070693.db2.gz MARMAZSVQBIBRH-UHOFOFEASA-N 1 3 323.412 0.733 20 0 DCADHO O=C(NC[C@H](CO)NCCC(F)(F)F)[C@@H]1C[NH+]2CCC1CC2 ZINC001382220567 967085895 /nfs/dbraw/zinc/08/58/95/967085895.db2.gz PXWISWZILBILLB-VXGBXAGGSA-N 1 3 323.359 0.347 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001382267285 967140747 /nfs/dbraw/zinc/14/07/47/967140747.db2.gz OOUONFAKPNBZSF-INIZCTEOSA-N 1 3 317.433 0.658 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001371587564 967148350 /nfs/dbraw/zinc/14/83/50/967148350.db2.gz TWXAXDNADOPPEI-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO COc1cncc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001371602510 967161660 /nfs/dbraw/zinc/16/16/60/967161660.db2.gz DZRYEBWEGOEZAQ-ZDUSSCGKSA-N 1 3 321.425 0.375 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001371610772 967169913 /nfs/dbraw/zinc/16/99/13/967169913.db2.gz DHOXZZZYIHXYTR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)[C@H]1C ZINC001382303760 967190796 /nfs/dbraw/zinc/19/07/96/967190796.db2.gz HVSKGKDTQZQZQQ-ZIAGYGMSSA-N 1 3 308.430 0.197 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C[C@@H]1C ZINC001382307222 967194757 /nfs/dbraw/zinc/19/47/57/967194757.db2.gz FFOSYGPKPWZVBO-GOEBONIOSA-N 1 3 321.469 0.882 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001371801628 967352200 /nfs/dbraw/zinc/35/22/00/967352200.db2.gz ZOGZQMRMXFLKJC-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001371801628 967352207 /nfs/dbraw/zinc/35/22/07/967352207.db2.gz ZOGZQMRMXFLKJC-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001382578338 967515437 /nfs/dbraw/zinc/51/54/37/967515437.db2.gz NCZDWLGYUSQJSA-BPCQOVAHSA-N 1 3 310.442 0.314 20 0 DCADHO CN(CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001372022885 967570598 /nfs/dbraw/zinc/57/05/98/967570598.db2.gz HCRVYMYPRIWLFT-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001372022885 967570603 /nfs/dbraw/zinc/57/06/03/967570603.db2.gz HCRVYMYPRIWLFT-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382989581 967828783 /nfs/dbraw/zinc/82/87/83/967828783.db2.gz AUGIVBCSCFUWFE-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382989581 967828796 /nfs/dbraw/zinc/82/87/96/967828796.db2.gz AUGIVBCSCFUWFE-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001372919119 968529695 /nfs/dbraw/zinc/52/96/95/968529695.db2.gz DROYYGWVWCKDPH-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CCCC[C@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001372948954 968558721 /nfs/dbraw/zinc/55/87/21/968558721.db2.gz RRJXKEZZOKALMM-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001372987456 968601078 /nfs/dbraw/zinc/60/10/78/968601078.db2.gz UMVCPBKBRWLKGJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001372987456 968601084 /nfs/dbraw/zinc/60/10/84/968601084.db2.gz UMVCPBKBRWLKGJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001373000949 968616583 /nfs/dbraw/zinc/61/65/83/968616583.db2.gz WQUQTOUZCRHMFL-QWRGUYRKSA-N 1 3 307.398 0.043 20 0 DCADHO CN1CC[C@H](N2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001373221754 968824893 /nfs/dbraw/zinc/82/48/93/968824893.db2.gz FHADANKKPINFOP-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373231523 968833339 /nfs/dbraw/zinc/83/33/39/968833339.db2.gz CZDYVAUHVXNFEB-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373231523 968833344 /nfs/dbraw/zinc/83/33/44/968833344.db2.gz CZDYVAUHVXNFEB-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001373287001 968901543 /nfs/dbraw/zinc/90/15/43/968901543.db2.gz HFBBYRSDBWGKEA-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001373287001 968901549 /nfs/dbraw/zinc/90/15/49/968901549.db2.gz HFBBYRSDBWGKEA-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001373330566 968946591 /nfs/dbraw/zinc/94/65/91/968946591.db2.gz SZOGMVRTHFXDFF-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001373330566 968946593 /nfs/dbraw/zinc/94/65/93/968946593.db2.gz SZOGMVRTHFXDFF-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@@H](C)C(=O)NC)CC1)N(C)C ZINC001448543530 1013946937 /nfs/dbraw/zinc/94/69/37/1013946937.db2.gz ZRGIJLQPNXQNLZ-JSGCOSHPSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H](C)C(=O)NC)CC1)N(C)C ZINC001448543530 1013946940 /nfs/dbraw/zinc/94/69/40/1013946940.db2.gz ZRGIJLQPNXQNLZ-JSGCOSHPSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001448601610 1013963061 /nfs/dbraw/zinc/96/30/61/1013963061.db2.gz ICRWMXWJIDDQHS-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC(C)(C)C ZINC001448661790 1013986789 /nfs/dbraw/zinc/98/67/89/1013986789.db2.gz NNAQWBNZIHGMLI-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001448886933 1014083763 /nfs/dbraw/zinc/08/37/63/1014083763.db2.gz JOAMCFMVJZKWGB-DOMZBBRYSA-N 1 3 311.401 0.905 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001448892744 1014086502 /nfs/dbraw/zinc/08/65/02/1014086502.db2.gz IWEBDHIPZAMDDR-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001448892744 1014086504 /nfs/dbraw/zinc/08/65/04/1014086504.db2.gz IWEBDHIPZAMDDR-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001448931272 1014100409 /nfs/dbraw/zinc/10/04/09/1014100409.db2.gz RLIMCQIMRMHFNN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001448931272 1014100412 /nfs/dbraw/zinc/10/04/12/1014100412.db2.gz RLIMCQIMRMHFNN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO COc1cccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001448946262 1014104071 /nfs/dbraw/zinc/10/40/71/1014104071.db2.gz AMUQPOGOPHZRRB-CABCVRRESA-N 1 3 321.421 0.214 20 0 DCADHO COc1cccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001448946262 1014104073 /nfs/dbraw/zinc/10/40/73/1014104073.db2.gz AMUQPOGOPHZRRB-CABCVRRESA-N 1 3 321.421 0.214 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449023532 1014141786 /nfs/dbraw/zinc/14/17/86/1014141786.db2.gz SMBMVRGOLJZJAI-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)C2)nn1 ZINC001549170960 1014162073 /nfs/dbraw/zinc/16/20/73/1014162073.db2.gz YIEHNLWXOJSXLT-IJEWVQPXSA-N 1 3 318.425 0.290 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001528478267 1014306346 /nfs/dbraw/zinc/30/63/46/1014306346.db2.gz SAJQPCPNYKSJES-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001528478267 1014306358 /nfs/dbraw/zinc/30/63/58/1014306358.db2.gz SAJQPCPNYKSJES-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C12CCC[NH+]1CCC2 ZINC001522761289 1014353958 /nfs/dbraw/zinc/35/39/58/1014353958.db2.gz FUKVZRSOBQDSIP-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO Cn1cnc([C@H]2CN(C(=O)c3cccc4c3CNC4)C[C@@H]2[NH3+])c1 ZINC001549734282 1014431788 /nfs/dbraw/zinc/43/17/88/1014431788.db2.gz INQJHMGZUDKVGP-GJZGRUSLSA-N 1 3 311.389 0.590 20 0 DCADHO Cn1ncc(C[NH3+])c1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001550059886 1014539125 /nfs/dbraw/zinc/53/91/25/1014539125.db2.gz IQZJFKPKRAVXJH-UHFFFAOYSA-N 1 3 301.350 0.613 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090084 1014560021 /nfs/dbraw/zinc/56/00/21/1014560021.db2.gz NAUUORCOPLMMMM-NWDGAFQWSA-N 1 3 305.369 0.586 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC001550095614 1014566630 /nfs/dbraw/zinc/56/66/30/1014566630.db2.gz KDLZBNPJZOCPMW-MGPQQGTHSA-N 1 3 306.414 0.241 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC001550095614 1014566636 /nfs/dbraw/zinc/56/66/36/1014566636.db2.gz KDLZBNPJZOCPMW-MGPQQGTHSA-N 1 3 306.414 0.241 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC001550108780 1014574666 /nfs/dbraw/zinc/57/46/66/1014574666.db2.gz RFNXADKOWDIPDM-NUDNTCICSA-N 1 3 322.453 0.043 20 0 DCADHO CC[NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204162 1014628479 /nfs/dbraw/zinc/62/84/79/1014628479.db2.gz SLBGADKJRUADJN-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550239660 1014634442 /nfs/dbraw/zinc/63/44/42/1014634442.db2.gz OQGUHVZDFQGJDQ-GDBMZVCRSA-N 1 3 310.442 0.078 20 0 DCADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550233450 1014634694 /nfs/dbraw/zinc/63/46/94/1014634694.db2.gz JPEBXOPNGLOJMJ-ZOBUZTSGSA-N 1 3 307.438 0.842 20 0 DCADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550233448 1014635902 /nfs/dbraw/zinc/63/59/02/1014635902.db2.gz JPEBXOPNGLOJMJ-VYDXJSESSA-N 1 3 307.438 0.842 20 0 DCADHO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CCNC[C@H](O)C1 ZINC001550736002 1014825873 /nfs/dbraw/zinc/82/58/73/1014825873.db2.gz IERANAWREBKZGF-HRCADAONSA-N 1 3 318.421 0.108 20 0 DCADHO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CCNC[C@@H](O)C1 ZINC001550736004 1014826807 /nfs/dbraw/zinc/82/68/07/1014826807.db2.gz IERANAWREBKZGF-OWCLPIDISA-N 1 3 318.421 0.108 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001550763307 1014852681 /nfs/dbraw/zinc/85/26/81/1014852681.db2.gz LDVFDXQSBJXTSP-BBWFWOEESA-N 1 3 314.433 0.952 20 0 DCADHO [NH3+]CC1(c2ccccc2)CC(NC(=O)N2CCNC[C@@H](O)C2)C1 ZINC001551478388 1015108985 /nfs/dbraw/zinc/10/89/85/1015108985.db2.gz IEDXKUPSYDESAM-ISXOHVOVSA-N 1 3 318.421 0.021 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001384116890 985373039 /nfs/dbraw/zinc/37/30/39/985373039.db2.gz BDBYHZMBMKXOKI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001386129147 986860322 /nfs/dbraw/zinc/86/03/22/986860322.db2.gz VKOIYVWKSVOETF-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001386129147 986860336 /nfs/dbraw/zinc/86/03/36/986860336.db2.gz VKOIYVWKSVOETF-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCCN2CCCCC2)cnn1C ZINC001552166705 1015301382 /nfs/dbraw/zinc/30/13/82/1015301382.db2.gz LGEHMHGTEUZREJ-HOTGVXAUSA-N 1 3 319.453 0.634 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001386870146 987468570 /nfs/dbraw/zinc/46/85/70/987468570.db2.gz LRDFEQIFFABYLD-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001386870146 987468574 /nfs/dbraw/zinc/46/85/74/987468574.db2.gz LRDFEQIFFABYLD-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC)N(C)C ZINC001450759971 1015341851 /nfs/dbraw/zinc/34/18/51/1015341851.db2.gz ZOEOIMGRQFHLJT-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC)N(C)C ZINC001450759971 1015341855 /nfs/dbraw/zinc/34/18/55/1015341855.db2.gz ZOEOIMGRQFHLJT-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001552245198 1015346560 /nfs/dbraw/zinc/34/65/60/1015346560.db2.gz DFYIUODFEZVHAI-RDBSUJKOSA-N 1 3 321.429 0.224 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001387869447 988237745 /nfs/dbraw/zinc/23/77/45/988237745.db2.gz MPEQKVQDCINHRW-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001387869447 988237752 /nfs/dbraw/zinc/23/77/52/988237752.db2.gz MPEQKVQDCINHRW-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001388748617 988557372 /nfs/dbraw/zinc/55/73/72/988557372.db2.gz ZTBNYMOYRYAVBS-AJNGGQMLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(CC)CC ZINC001450929419 1015458469 /nfs/dbraw/zinc/45/84/69/1015458469.db2.gz HYLVHVRYBHDHJI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(CC)CC ZINC001450929419 1015458471 /nfs/dbraw/zinc/45/84/71/1015458471.db2.gz HYLVHVRYBHDHJI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)OCCN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001389452382 989269822 /nfs/dbraw/zinc/26/98/22/989269822.db2.gz AOFIQVXOSUTVGD-JKSUJKDBSA-N 1 3 309.454 0.944 20 0 DCADHO COC[C@H](O)CN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001389503550 989339687 /nfs/dbraw/zinc/33/96/87/989339687.db2.gz FILNFKNVQDUWFU-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](NCc1ccnn1C)C1CC1)[NH+](C)C ZINC001389617156 989435362 /nfs/dbraw/zinc/43/53/62/989435362.db2.gz VGZKOFKYPCXGLZ-HOTGVXAUSA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1)[NH+](C)C ZINC001389744403 989536044 /nfs/dbraw/zinc/53/60/44/989536044.db2.gz SFEDGXKTHZTRPI-GOEBONIOSA-N 1 3 324.469 0.386 20 0 DCADHO [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)NCCN2CCCC2)nn1 ZINC001552690881 1015492896 /nfs/dbraw/zinc/49/28/96/1015492896.db2.gz LFYSYKDWCMABKR-TZMCWYRMSA-N 1 3 306.414 0.546 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)C1 ZINC001552693509 1015495362 /nfs/dbraw/zinc/49/53/62/1015495362.db2.gz AYVTUVUVPQHKEW-UMVBOHGHSA-N 1 3 320.441 0.792 20 0 DCADHO CN1CCC[C@@H](N2CCC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001390075581 989796696 /nfs/dbraw/zinc/79/66/96/989796696.db2.gz YTEFGDBDDBAUIO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1nncn1C ZINC001390091270 989813600 /nfs/dbraw/zinc/81/36/00/989813600.db2.gz HNFITRQJEZTPND-KGLIPLIRSA-N 1 3 322.457 0.656 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001390101581 989819660 /nfs/dbraw/zinc/81/96/60/989819660.db2.gz COVWAKMEKRXYGE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CC(=O)N(C)C2CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001390112314 989834717 /nfs/dbraw/zinc/83/47/17/989834717.db2.gz GEGDKKDHHJRWMV-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001390404835 990065981 /nfs/dbraw/zinc/06/59/81/990065981.db2.gz ORKKDTVIXKNQJL-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001390404835 990065999 /nfs/dbraw/zinc/06/59/99/990065999.db2.gz ORKKDTVIXKNQJL-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001390535271 990180573 /nfs/dbraw/zinc/18/05/73/990180573.db2.gz OTQXSCPYMCAOEA-QWHCGFSZSA-N 1 3 320.437 0.591 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552834573 1015545766 /nfs/dbraw/zinc/54/57/66/1015545766.db2.gz OAYWNSJPQLTFLE-VYDXJSESSA-N 1 3 308.470 0.661 20 0 DCADHO COc1cc(CNC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)on1 ZINC001390588562 990223032 /nfs/dbraw/zinc/22/30/32/990223032.db2.gz AWJVMHGRPPICRZ-ZDUSSCGKSA-N 1 3 324.425 0.963 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001390591605 990226690 /nfs/dbraw/zinc/22/66/90/990226690.db2.gz PJKDQZSCQMQTKC-HIFRSBDPSA-N 1 3 312.458 0.099 20 0 DCADHO Nc1ccnc(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)c1 ZINC001552927959 1015566686 /nfs/dbraw/zinc/56/66/86/1015566686.db2.gz PVCFDNIGXHARRZ-UHFFFAOYSA-N 1 3 312.377 0.398 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001552956676 1015575512 /nfs/dbraw/zinc/57/55/12/1015575512.db2.gz UKKWVNNEEZHBLK-UONOGXRCSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCC[C@H]1CCNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001552956676 1015575517 /nfs/dbraw/zinc/57/55/17/1015575517.db2.gz UKKWVNNEEZHBLK-UONOGXRCSA-N 1 3 321.429 0.178 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H](CC)C(N)=O)C1 ZINC001391222234 990681163 /nfs/dbraw/zinc/68/11/63/990681163.db2.gz FERAIMXJPFUPCF-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H](CC)C(N)=O)C1 ZINC001391222234 990681167 /nfs/dbraw/zinc/68/11/67/990681167.db2.gz FERAIMXJPFUPCF-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CCN1C1CCCC1 ZINC001552966999 1015580044 /nfs/dbraw/zinc/58/00/44/1015580044.db2.gz CSUQXDNCWUKVQJ-KBMXLJTQSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCN1C1CCCC1 ZINC001552966999 1015580050 /nfs/dbraw/zinc/58/00/50/1015580050.db2.gz CSUQXDNCWUKVQJ-KBMXLJTQSA-N 1 3 309.454 0.917 20 0 DCADHO CC(C)[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1C ZINC001552973562 1015581002 /nfs/dbraw/zinc/58/10/02/1015581002.db2.gz PKHCIHLIAQSFKZ-ZBFHGGJFSA-N 1 3 306.458 0.975 20 0 DCADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001391794725 991188679 /nfs/dbraw/zinc/18/86/79/991188679.db2.gz GUOFEDNKPJQPIW-XJKSGUPXSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001391922945 991295599 /nfs/dbraw/zinc/29/55/99/991295599.db2.gz PYHXPRVQYJZPKM-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)on1 ZINC001391947868 991318401 /nfs/dbraw/zinc/31/84/01/991318401.db2.gz FTNOFPUNOZWBOY-LBPRGKRZSA-N 1 3 322.409 0.621 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001392123367 991521972 /nfs/dbraw/zinc/52/19/72/991521972.db2.gz MZRKQCCCBVMTKB-KBPBESRZSA-N 1 3 314.474 0.630 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001392137868 991534655 /nfs/dbraw/zinc/53/46/55/991534655.db2.gz KVBNSMDYNHQRAM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1CNCC(N)=O ZINC001392195033 991596564 /nfs/dbraw/zinc/59/65/64/991596564.db2.gz JYCMLWLPCYXYSO-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)C[C@H]1CCc2ncnn21 ZINC001392318983 991746602 /nfs/dbraw/zinc/74/66/02/991746602.db2.gz XJDHBGURJQHTJP-CQSZACIVSA-N 1 3 322.457 0.497 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C[C@H]1CCc2ncnn21 ZINC001392318983 991746614 /nfs/dbraw/zinc/74/66/14/991746614.db2.gz XJDHBGURJQHTJP-CQSZACIVSA-N 1 3 322.457 0.497 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCCCO2)CCC1 ZINC001392378832 991842766 /nfs/dbraw/zinc/84/27/66/991842766.db2.gz XWBOFLLKYCYITH-KGLIPLIRSA-N 1 3 313.442 0.107 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001392448995 991941371 /nfs/dbraw/zinc/94/13/71/991941371.db2.gz LATAIDWHCRVPMY-AAVRWANBSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001392448995 991941379 /nfs/dbraw/zinc/94/13/79/991941379.db2.gz LATAIDWHCRVPMY-AAVRWANBSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392561181 992097330 /nfs/dbraw/zinc/09/73/30/992097330.db2.gz NYLXSFANIXZKOY-BLLLJJGKSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392561187 992097517 /nfs/dbraw/zinc/09/75/17/992097517.db2.gz NYLXSFANIXZKOY-LRDDRELGSA-N 1 3 319.453 0.665 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392607223 992154863 /nfs/dbraw/zinc/15/48/63/992154863.db2.gz AKJXXYMIQJYBOY-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392607223 992154866 /nfs/dbraw/zinc/15/48/66/992154866.db2.gz AKJXXYMIQJYBOY-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001392884652 992495563 /nfs/dbraw/zinc/49/55/63/992495563.db2.gz VCTOBSLQVLBGNR-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001392884652 992495567 /nfs/dbraw/zinc/49/55/67/992495567.db2.gz VCTOBSLQVLBGNR-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@H]2CNCC(N)=O)CCCCC1 ZINC001393050161 992650939 /nfs/dbraw/zinc/65/09/39/992650939.db2.gz OMBPXMDLRMCOIU-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001393088301 992672161 /nfs/dbraw/zinc/67/21/61/992672161.db2.gz PELJMPJAFLIVKV-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001393407502 992955074 /nfs/dbraw/zinc/95/50/74/992955074.db2.gz FAAVUSUCSGVITF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001393407502 992955077 /nfs/dbraw/zinc/95/50/77/992955077.db2.gz FAAVUSUCSGVITF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001393448529 992998426 /nfs/dbraw/zinc/99/84/26/992998426.db2.gz XBYNAKHNBWSAFH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001393476442 993021530 /nfs/dbraw/zinc/02/15/30/993021530.db2.gz XHWZQXHOHYUCCM-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001393566230 993088792 /nfs/dbraw/zinc/08/87/92/993088792.db2.gz LEPBTJYWPDGFGK-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001393570179 993092150 /nfs/dbraw/zinc/09/21/50/993092150.db2.gz OUJWAPWJDKRXBA-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001393570179 993092156 /nfs/dbraw/zinc/09/21/56/993092156.db2.gz OUJWAPWJDKRXBA-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001393601469 993116891 /nfs/dbraw/zinc/11/68/91/993116891.db2.gz SEGLRJHLKMXNAP-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001393601469 993116895 /nfs/dbraw/zinc/11/68/95/993116895.db2.gz SEGLRJHLKMXNAP-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001393694959 993182782 /nfs/dbraw/zinc/18/27/82/993182782.db2.gz VFKZAOLGCZXEMO-RHSMWYFYSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001393762514 993233324 /nfs/dbraw/zinc/23/33/24/993233324.db2.gz JZEWJYMQWSFLLF-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)[C@@H](C)C1 ZINC001393788944 993254902 /nfs/dbraw/zinc/25/49/02/993254902.db2.gz QMUBVGWJACEPNB-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)[C@@H](C)C1 ZINC001393788944 993254908 /nfs/dbraw/zinc/25/49/08/993254908.db2.gz QMUBVGWJACEPNB-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CN(CC(C)(C)CNCc1ccn(C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394025666 993416945 /nfs/dbraw/zinc/41/69/45/993416945.db2.gz MLKRMDSGQBFNMU-CQSZACIVSA-N 1 3 321.469 0.946 20 0 DCADHO CN(CC(C)(C)CNCc1ccn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394025666 993416951 /nfs/dbraw/zinc/41/69/51/993416951.db2.gz MLKRMDSGQBFNMU-CQSZACIVSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001394092873 993471746 /nfs/dbraw/zinc/47/17/46/993471746.db2.gz UYQSRPBQAVVUJK-ZDUSSCGKSA-N 1 3 310.442 0.092 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(CO)cc1 ZINC001399649952 993634555 /nfs/dbraw/zinc/63/45/55/993634555.db2.gz AHOMZPLMSSDJMI-INIZCTEOSA-N 1 3 305.422 0.679 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(CO)cc1 ZINC001399649952 993634562 /nfs/dbraw/zinc/63/45/62/993634562.db2.gz AHOMZPLMSSDJMI-INIZCTEOSA-N 1 3 305.422 0.679 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001394394586 993677804 /nfs/dbraw/zinc/67/78/04/993677804.db2.gz UJTSYRWQMWTEKD-BPUTZDHNSA-N 1 3 321.469 0.991 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)CCC[NH+](C)C ZINC001399726183 993707936 /nfs/dbraw/zinc/70/79/36/993707936.db2.gz WNMPAXSMXOGJCW-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C[C@@H]1C ZINC001394678667 994012620 /nfs/dbraw/zinc/01/26/20/994012620.db2.gz JLHWBDHDJLGNHP-KBPBESRZSA-N 1 3 308.430 0.197 20 0 DCADHO C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001400078184 994136704 /nfs/dbraw/zinc/13/67/04/994136704.db2.gz FGXPSLHDJZOFMS-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001400201148 994269370 /nfs/dbraw/zinc/26/93/70/994269370.db2.gz PDEJGSYGFNAXAU-HOTGVXAUSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001400201148 994269380 /nfs/dbraw/zinc/26/93/80/994269380.db2.gz PDEJGSYGFNAXAU-HOTGVXAUSA-N 1 3 310.486 0.813 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)CCC[NH+](C)C)N(C)C ZINC001400442627 994518235 /nfs/dbraw/zinc/51/82/35/994518235.db2.gz LUFPDXMHGZKRJK-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001400811647 994959522 /nfs/dbraw/zinc/95/95/22/994959522.db2.gz QXSANMXOYVBREF-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001400811647 994959531 /nfs/dbraw/zinc/95/95/31/994959531.db2.gz QXSANMXOYVBREF-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)NC ZINC001400824326 994979069 /nfs/dbraw/zinc/97/90/69/994979069.db2.gz IBEFIZWMZFMULB-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001400863069 995019948 /nfs/dbraw/zinc/01/99/48/995019948.db2.gz LEEAVDYMZWQLHT-ZFWWWQNUSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001400863069 995019953 /nfs/dbraw/zinc/01/99/53/995019953.db2.gz LEEAVDYMZWQLHT-ZFWWWQNUSA-N 1 3 324.469 0.753 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001396485417 995425621 /nfs/dbraw/zinc/42/56/21/995425621.db2.gz XYZZLEKNTCPXHV-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396485417 995425628 /nfs/dbraw/zinc/42/56/28/995425628.db2.gz XYZZLEKNTCPXHV-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001396917301 995681079 /nfs/dbraw/zinc/68/10/79/995681079.db2.gz DNCIOYCKMYWVRE-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001396917301 995681087 /nfs/dbraw/zinc/68/10/87/995681087.db2.gz DNCIOYCKMYWVRE-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001397103795 995796735 /nfs/dbraw/zinc/79/67/35/995796735.db2.gz VAERRNFVONWUBD-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001397209446 995865551 /nfs/dbraw/zinc/86/55/51/995865551.db2.gz LSFGUAXDVZJQCH-RBSFLKMASA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001397209446 995865554 /nfs/dbraw/zinc/86/55/54/995865554.db2.gz LSFGUAXDVZJQCH-RBSFLKMASA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001397520176 996043928 /nfs/dbraw/zinc/04/39/28/996043928.db2.gz FPIKECKPWHJZHS-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001397619604 996100695 /nfs/dbraw/zinc/10/06/95/996100695.db2.gz XUYBKOHPKVFWEN-BETUJISGSA-N 1 3 308.430 0.140 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397651889 996117622 /nfs/dbraw/zinc/11/76/22/996117622.db2.gz GJSWZONKGIUYEO-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397651889 996117626 /nfs/dbraw/zinc/11/76/26/996117626.db2.gz GJSWZONKGIUYEO-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001397666785 996123667 /nfs/dbraw/zinc/12/36/67/996123667.db2.gz ADOYXNDBGLCVIW-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO Cn1nncc1CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001398442650 996518438 /nfs/dbraw/zinc/51/84/38/996518438.db2.gz CDPJURLPMWVOEZ-WFASDCNBSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398442650 996518444 /nfs/dbraw/zinc/51/84/44/996518444.db2.gz CDPJURLPMWVOEZ-WFASDCNBSA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398473744 996533802 /nfs/dbraw/zinc/53/38/02/996533802.db2.gz NLWGGTBLZFFXFL-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001398554098 996569938 /nfs/dbraw/zinc/56/99/38/996569938.db2.gz MBDAKKNBSGFYNH-YRGRVCCFSA-N 1 3 308.430 0.138 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001398724677 996658440 /nfs/dbraw/zinc/65/84/40/996658440.db2.gz KTIOXRXEFVENLB-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)n[nH]1 ZINC001398764010 996677609 /nfs/dbraw/zinc/67/76/09/996677609.db2.gz PWMFXKVXLJXVHO-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001502750871 1016054274 /nfs/dbraw/zinc/05/42/74/1016054274.db2.gz KXCULJXKLYBAJQ-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001502750871 1016054286 /nfs/dbraw/zinc/05/42/86/1016054286.db2.gz KXCULJXKLYBAJQ-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001398843154 996711303 /nfs/dbraw/zinc/71/13/03/996711303.db2.gz ZMLJHRGGQLNONK-YMAMQOFZSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H](C)C1 ZINC001502761975 1016062439 /nfs/dbraw/zinc/06/24/39/1016062439.db2.gz ITWDBNALWTWFNA-ZFWWWQNUSA-N 1 3 324.469 0.384 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001398968025 996781012 /nfs/dbraw/zinc/78/10/12/996781012.db2.gz VTZYCXBMIPNBCZ-UONOGXRCSA-N 1 3 308.430 0.247 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001399175497 997054442 /nfs/dbraw/zinc/05/44/42/997054442.db2.gz RBPSZLVYAXQKAC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001399175497 997054458 /nfs/dbraw/zinc/05/44/58/997054458.db2.gz RBPSZLVYAXQKAC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001399227363 997100452 /nfs/dbraw/zinc/10/04/52/997100452.db2.gz YPRCHWIZRPRLTH-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001404489690 997163860 /nfs/dbraw/zinc/16/38/60/997163860.db2.gz LQBLEVOOSYUBQZ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001404489690 997163872 /nfs/dbraw/zinc/16/38/72/997163872.db2.gz LQBLEVOOSYUBQZ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001404543933 997225042 /nfs/dbraw/zinc/22/50/42/997225042.db2.gz IUFVIEATYLMTJY-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001404543933 997225053 /nfs/dbraw/zinc/22/50/53/997225053.db2.gz IUFVIEATYLMTJY-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)C1CC[NH+](C)CC1)NCc1ccn(C)n1 ZINC001399372932 997282464 /nfs/dbraw/zinc/28/24/64/997282464.db2.gz GZXDWUVILKFNAF-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001404621607 997301492 /nfs/dbraw/zinc/30/14/92/997301492.db2.gz OLOIZGBJYPWWEB-ZDUSSCGKSA-N 1 3 324.469 0.372 20 0 DCADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)CCc1cnn(C)c1 ZINC001399570605 997524123 /nfs/dbraw/zinc/52/41/23/997524123.db2.gz QTUJVIAFWSEVKZ-UHFFFAOYSA-N 1 3 307.442 0.352 20 0 DCADHO Cn1nncc1CNCC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001405402432 998194427 /nfs/dbraw/zinc/19/44/27/998194427.db2.gz DBXGTBFXOIWGFI-UHFFFAOYSA-N 1 3 308.430 0.285 20 0 DCADHO O=C(NCC[NH+]1CCC(O)CC1)c1ccn(-c2ccncc2)n1 ZINC001468122900 1016225000 /nfs/dbraw/zinc/22/50/00/1016225000.db2.gz UAHZCGVOUZJENR-UHFFFAOYSA-N 1 3 315.377 0.454 20 0 DCADHO C[C@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)CCC[NH+](C)C ZINC001507319927 1016250268 /nfs/dbraw/zinc/25/02/68/1016250268.db2.gz LMNZXMLTBUYMAP-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](O)CN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001418493383 1000280361 /nfs/dbraw/zinc/28/03/61/1000280361.db2.gz CMKJTLKHYWRZJK-UAGQMJEPSA-N 1 3 319.449 0.761 20 0 DCADHO C[C@H](O)CN(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001418493383 1000280367 /nfs/dbraw/zinc/28/03/67/1000280367.db2.gz CMKJTLKHYWRZJK-UAGQMJEPSA-N 1 3 319.449 0.761 20 0 DCADHO CN(CCN(C)C(=O)CC[NH+](C)C)Cc1ccn(C)c(=O)c1 ZINC001401384373 1000397498 /nfs/dbraw/zinc/39/74/98/1000397498.db2.gz FLECKWMFOUMQES-UHFFFAOYSA-N 1 3 308.426 0.227 20 0 DCADHO Cc1nnc(CNC[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)[nH]1 ZINC001401479686 1000438490 /nfs/dbraw/zinc/43/84/90/1000438490.db2.gz FNVACBNLEDFIRR-CHWSQXEVSA-N 1 3 308.430 0.439 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001401596813 1000531740 /nfs/dbraw/zinc/53/17/40/1000531740.db2.gz OPDZFRGSOCHECA-STQMWFEESA-N 1 3 300.447 0.145 20 0 DCADHO CN(CC[NH2+][C@H]1CCN(C2CCC2)C1=O)C(=O)[C@@H]1CCCN1C ZINC001418806437 1000535189 /nfs/dbraw/zinc/53/51/89/1000535189.db2.gz CLXQJTXKGZEIIC-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC[NH2+][C@@H]1CCN(C2CCC2)C1=O)C(=O)[C@H]1CCCN1C ZINC001418806441 1000535577 /nfs/dbraw/zinc/53/55/77/1000535577.db2.gz CLXQJTXKGZEIIC-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001418811934 1000542255 /nfs/dbraw/zinc/54/22/55/1000542255.db2.gz RYLOYUNODQEVCW-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001418811934 1000542257 /nfs/dbraw/zinc/54/22/57/1000542257.db2.gz RYLOYUNODQEVCW-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401610369 1000544998 /nfs/dbraw/zinc/54/49/98/1000544998.db2.gz RIXVVMOEFIVTHD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001401610369 1000545004 /nfs/dbraw/zinc/54/50/04/1000545004.db2.gz RIXVVMOEFIVTHD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418906638 1000606409 /nfs/dbraw/zinc/60/64/09/1000606409.db2.gz VQTQXMNBZFGZGF-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001401676820 1000615927 /nfs/dbraw/zinc/61/59/27/1000615927.db2.gz XZWUJQCPLVKHFO-OLZOCXBDSA-N 1 3 320.437 0.591 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)CN(C)C1CCC1 ZINC001401684724 1000625016 /nfs/dbraw/zinc/62/50/16/1000625016.db2.gz GKCOXJYTLFMOSX-ZDUSSCGKSA-N 1 3 320.437 0.464 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001419195067 1000870076 /nfs/dbraw/zinc/87/00/76/1000870076.db2.gz ODOBUWBXYXLSDA-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)CC ZINC001419201703 1000876218 /nfs/dbraw/zinc/87/62/18/1000876218.db2.gz SZLNNYWXAZAMFU-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001419211405 1000882839 /nfs/dbraw/zinc/88/28/39/1000882839.db2.gz RWFKATZCLGFYHI-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001419211399 1000883079 /nfs/dbraw/zinc/88/30/79/1000883079.db2.gz RWFKATZCLGFYHI-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402039330 1000966004 /nfs/dbraw/zinc/96/60/04/1000966004.db2.gz LCHNCBGTRSHIPF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419369774 1001005655 /nfs/dbraw/zinc/00/56/55/1001005655.db2.gz APIFCLLLKNEAOF-CHWSQXEVSA-N 1 3 321.425 0.305 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC1CC1 ZINC001419372812 1001006997 /nfs/dbraw/zinc/00/69/97/1001006997.db2.gz XBYSWUBURWLTDS-JSGCOSHPSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CCCC1)C(N)=O ZINC001402103278 1001016921 /nfs/dbraw/zinc/01/69/21/1001016921.db2.gz XRUPNOSHPSTGMH-DOMZBBRYSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001419516142 1001110144 /nfs/dbraw/zinc/11/01/44/1001110144.db2.gz KVCNMBRULGQUCW-ZNMIVQPWSA-N 1 3 307.442 0.706 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001419565027 1001143850 /nfs/dbraw/zinc/14/38/50/1001143850.db2.gz IWIJIASSOVNABP-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001419621488 1001176309 /nfs/dbraw/zinc/17/63/09/1001176309.db2.gz RETHGFUSZFLTHC-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419621488 1001176311 /nfs/dbraw/zinc/17/63/11/1001176311.db2.gz RETHGFUSZFLTHC-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001402307201 1001199848 /nfs/dbraw/zinc/19/98/48/1001199848.db2.gz ZQPWMUDQNYVFIU-HZPDHXFCSA-N 1 3 315.433 0.772 20 0 DCADHO CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001402307201 1001199853 /nfs/dbraw/zinc/19/98/53/1001199853.db2.gz ZQPWMUDQNYVFIU-HZPDHXFCSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCC[C@H](C)O)C1 ZINC001402310190 1001203634 /nfs/dbraw/zinc/20/36/34/1001203634.db2.gz IBQXQVXSMBGFTF-HOCLYGCPSA-N 1 3 315.458 0.041 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCC[C@H](C)O)C1 ZINC001402310190 1001203639 /nfs/dbraw/zinc/20/36/39/1001203639.db2.gz IBQXQVXSMBGFTF-HOCLYGCPSA-N 1 3 315.458 0.041 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001419659174 1001203840 /nfs/dbraw/zinc/20/38/40/1001203840.db2.gz YRTDVFXCZBFGQA-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCc1cnnn1C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419716256 1001244793 /nfs/dbraw/zinc/24/47/93/1001244793.db2.gz HRHCHZYYAQDWNY-CHWSQXEVSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H](CNCc1cnnn1C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419716256 1001244795 /nfs/dbraw/zinc/24/47/95/1001244795.db2.gz HRHCHZYYAQDWNY-CHWSQXEVSA-N 1 3 308.430 0.093 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001419755781 1001283003 /nfs/dbraw/zinc/28/30/03/1001283003.db2.gz CBWBNTGOXHCMHL-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C1)N(C)C ZINC001402460852 1001332916 /nfs/dbraw/zinc/33/29/16/1001332916.db2.gz HAWAWOHOOMSTOV-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001402527354 1001385248 /nfs/dbraw/zinc/38/52/48/1001385248.db2.gz AHYFPFQSKBYOEP-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001419913592 1001403791 /nfs/dbraw/zinc/40/37/91/1001403791.db2.gz ZUGHBJDMDVICON-ZDUSSCGKSA-N 1 3 314.474 0.441 20 0 DCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001402563113 1001410183 /nfs/dbraw/zinc/41/01/83/1001410183.db2.gz POOLFGMJTARUDW-DKUMPPAJSA-N 1 3 324.469 0.704 20 0 DCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001402563113 1001410185 /nfs/dbraw/zinc/41/01/85/1001410185.db2.gz POOLFGMJTARUDW-DKUMPPAJSA-N 1 3 324.469 0.704 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCN2CCCC2=O)CCC1 ZINC001402572806 1001414659 /nfs/dbraw/zinc/41/46/59/1001414659.db2.gz BCPIWUZVUJJHKS-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001402607397 1001438834 /nfs/dbraw/zinc/43/88/34/1001438834.db2.gz MQIBXJJPYCRACU-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001402697535 1001473877 /nfs/dbraw/zinc/47/38/77/1001473877.db2.gz VMBGRYPREZJGDK-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)(C(=O)N1CCCC[C@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001402757341 1001490715 /nfs/dbraw/zinc/49/07/15/1001490715.db2.gz PDBZBCYPMWVNFJ-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505732895 1016501767 /nfs/dbraw/zinc/50/17/67/1016501767.db2.gz NBLCOXMZEULPFC-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCC(=O)N(C)C ZINC001402883573 1001555999 /nfs/dbraw/zinc/55/59/99/1001555999.db2.gz PRTVPMRCABKPOY-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NC/C=C/Cl ZINC001402885228 1001556507 /nfs/dbraw/zinc/55/65/07/1001556507.db2.gz QPPNCXTUHSWMSY-FVOPLDGLSA-N 1 3 313.833 0.905 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403155429 1001698602 /nfs/dbraw/zinc/69/86/02/1001698602.db2.gz CRKUPZQZNOJJSM-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001403182699 1001711311 /nfs/dbraw/zinc/71/13/11/1001711311.db2.gz WEYHUAVKHPTZJQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001403182699 1001711314 /nfs/dbraw/zinc/71/13/14/1001711314.db2.gz WEYHUAVKHPTZJQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NCc2ccco2)C1 ZINC001403211402 1001736732 /nfs/dbraw/zinc/73/67/32/1001736732.db2.gz JJHBVOLNASGIDK-ZDUSSCGKSA-N 1 3 322.409 0.038 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(C)C)C1 ZINC001420012035 1001762217 /nfs/dbraw/zinc/76/22/17/1001762217.db2.gz VCZJRVQNVZUKPQ-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001505755749 1016525471 /nfs/dbraw/zinc/52/54/71/1016525471.db2.gz PGJMJESIUNWOHN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001424850101 1002095729 /nfs/dbraw/zinc/09/57/29/1002095729.db2.gz HGMYMOHVEWLPEJ-STQMWFEESA-N 1 3 314.474 0.724 20 0 DCADHO Cc1noc(CCC[N@@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001420295023 1002181276 /nfs/dbraw/zinc/18/12/76/1002181276.db2.gz DSNTYKXUBZPGRE-CYBMUJFWSA-N 1 3 323.441 0.700 20 0 DCADHO Cc1noc(CCC[N@H+](C)CCNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001420295023 1002181277 /nfs/dbraw/zinc/18/12/77/1002181277.db2.gz DSNTYKXUBZPGRE-CYBMUJFWSA-N 1 3 323.441 0.700 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001420301284 1002188192 /nfs/dbraw/zinc/18/81/92/1002188192.db2.gz UECIBCPIAVIGRX-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001420305933 1002196681 /nfs/dbraw/zinc/19/66/81/1002196681.db2.gz FUKPPJFYXBNRPL-BPLDGKMQSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420331664 1002234946 /nfs/dbraw/zinc/23/49/46/1002234946.db2.gz ZOBDDCBMJHXVJN-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001425053227 1002297618 /nfs/dbraw/zinc/29/76/18/1002297618.db2.gz JNJHUIIHFGFUMK-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001425053227 1002297620 /nfs/dbraw/zinc/29/76/20/1002297620.db2.gz JNJHUIIHFGFUMK-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001425053224 1002297702 /nfs/dbraw/zinc/29/77/02/1002297702.db2.gz JNJHUIIHFGFUMK-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001425053224 1002297706 /nfs/dbraw/zinc/29/77/06/1002297706.db2.gz JNJHUIIHFGFUMK-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccnn1C ZINC001420376444 1002306149 /nfs/dbraw/zinc/30/61/49/1002306149.db2.gz KOUOZVGHQVIRMA-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)N1CCCCCC1 ZINC001471641549 1016615463 /nfs/dbraw/zinc/61/54/63/1016615463.db2.gz KKXQBFKHFOKTOY-HRCADAONSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)N1CCCCCC1 ZINC001471641549 1016615468 /nfs/dbraw/zinc/61/54/68/1016615468.db2.gz KKXQBFKHFOKTOY-HRCADAONSA-N 1 3 309.454 0.918 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001508031562 1016616292 /nfs/dbraw/zinc/61/62/92/1016616292.db2.gz XKTOUNVKXWZZQM-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001508031562 1016616299 /nfs/dbraw/zinc/61/62/99/1016616299.db2.gz XKTOUNVKXWZZQM-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@@H]1C ZINC001403749645 1002466085 /nfs/dbraw/zinc/46/60/85/1002466085.db2.gz LYCRUGJPEPPALT-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cnn(C)c2)C[C@@H]1C ZINC001403749645 1002466090 /nfs/dbraw/zinc/46/60/90/1002466090.db2.gz LYCRUGJPEPPALT-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001403765392 1002489367 /nfs/dbraw/zinc/48/93/67/1002489367.db2.gz BUMCRXNAAYSZAZ-KGLIPLIRSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001420519821 1002546579 /nfs/dbraw/zinc/54/65/79/1002546579.db2.gz VQGWNKOUZCDVLJ-STQMWFEESA-N 1 3 314.474 0.724 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](N[C@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001403810266 1002554724 /nfs/dbraw/zinc/55/47/24/1002554724.db2.gz AUOGRICXAWBDMD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](N[C@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001403810266 1002554734 /nfs/dbraw/zinc/55/47/34/1002554734.db2.gz AUOGRICXAWBDMD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)CC(C)(C)C ZINC001425361157 1002606461 /nfs/dbraw/zinc/60/64/61/1002606461.db2.gz PDNLHWFFNFCSRP-QKDCVEJESA-N 1 3 311.470 0.641 20 0 DCADHO CN(CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)CC(C)(C)C ZINC001425361157 1002606467 /nfs/dbraw/zinc/60/64/67/1002606467.db2.gz PDNLHWFFNFCSRP-QKDCVEJESA-N 1 3 311.470 0.641 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420616036 1002693097 /nfs/dbraw/zinc/69/30/97/1002693097.db2.gz SGYOAFCNNQOELX-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C(C)(C)C ZINC001403955044 1002794987 /nfs/dbraw/zinc/79/49/87/1002794987.db2.gz IANIEPIFXWICIY-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C(C)(C)C ZINC001403955044 1002794995 /nfs/dbraw/zinc/79/49/95/1002794995.db2.gz IANIEPIFXWICIY-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001425604678 1002879737 /nfs/dbraw/zinc/87/97/37/1002879737.db2.gz YXZUAFQKIXHLHM-ZIAGYGMSSA-N 1 3 314.474 0.630 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001420752871 1002916226 /nfs/dbraw/zinc/91/62/26/1002916226.db2.gz QDHQEAPJQDSKJT-HUUCEWRRSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001420752871 1002916235 /nfs/dbraw/zinc/91/62/35/1002916235.db2.gz QDHQEAPJQDSKJT-HUUCEWRRSA-N 1 3 324.469 0.337 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001425694710 1002966307 /nfs/dbraw/zinc/96/63/07/1002966307.db2.gz KUFLPCWISUHLQQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001420879549 1003079841 /nfs/dbraw/zinc/07/98/41/1003079841.db2.gz UNVXFXVIMWDYFN-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(CF)cc2)C1 ZINC001425838058 1003168054 /nfs/dbraw/zinc/16/80/54/1003168054.db2.gz KNSFYBGBWCUIRQ-HOTGVXAUSA-N 1 3 323.412 0.675 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(CF)cc2)C1 ZINC001425838058 1003168055 /nfs/dbraw/zinc/16/80/55/1003168055.db2.gz KNSFYBGBWCUIRQ-HOTGVXAUSA-N 1 3 323.412 0.675 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1 ZINC001420954936 1003172348 /nfs/dbraw/zinc/17/23/48/1003172348.db2.gz QGAYXBAABDHWSB-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1 ZINC001420954936 1003172351 /nfs/dbraw/zinc/17/23/51/1003172351.db2.gz QGAYXBAABDHWSB-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C[C@H]1C ZINC001425902826 1003243040 /nfs/dbraw/zinc/24/30/40/1003243040.db2.gz CPSHVSKVEAPXIL-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC1CC(C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C2CCC2)C1 ZINC001426006079 1003328197 /nfs/dbraw/zinc/32/81/97/1003328197.db2.gz NVSRYMRSPCUSOD-XUJLQICISA-N 1 3 311.470 0.926 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CC(NC(=O)CC[NH+](C)C)C1 ZINC001426120202 1003450599 /nfs/dbraw/zinc/45/05/99/1003450599.db2.gz KMVWNLJBHGYZKA-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001421248848 1003481217 /nfs/dbraw/zinc/48/12/17/1003481217.db2.gz CBCHFIDJAKYEFK-PBHICJAKSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCCCN1CC ZINC001406318543 1003599273 /nfs/dbraw/zinc/59/92/73/1003599273.db2.gz HTXUUHBQKFWVDC-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001406367924 1003646934 /nfs/dbraw/zinc/64/69/34/1003646934.db2.gz LSLXMCLRJLGHMJ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001406493502 1003762434 /nfs/dbraw/zinc/76/24/34/1003762434.db2.gz JLAGKPIDJNNHSP-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCn1cncn1 ZINC001492953313 1003810850 /nfs/dbraw/zinc/81/08/50/1003810850.db2.gz MERMUOATAFJPFS-OAHLLOKOSA-N 1 3 320.441 0.058 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNCC(=O)NC2CC2)CC1 ZINC001406547632 1003820616 /nfs/dbraw/zinc/82/06/16/1003820616.db2.gz YNJRVASNVFVOLE-ZDUSSCGKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001406566728 1003855398 /nfs/dbraw/zinc/85/53/98/1003855398.db2.gz ZUSJWYBASRDLAF-RYUDHWBXSA-N 1 3 308.430 0.474 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001406566728 1003855411 /nfs/dbraw/zinc/85/54/11/1003855411.db2.gz ZUSJWYBASRDLAF-RYUDHWBXSA-N 1 3 308.430 0.474 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)N(C)C(=O)CC[NH+](C)C)N(C)C ZINC001426730658 1003992241 /nfs/dbraw/zinc/99/22/41/1003992241.db2.gz DAADSZIXEICMOB-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001406761324 1004068065 /nfs/dbraw/zinc/06/80/65/1004068065.db2.gz ZPMPKJKULYRINA-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001406761324 1004068076 /nfs/dbraw/zinc/06/80/76/1004068076.db2.gz ZPMPKJKULYRINA-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+]Cc1cnn(C)c1)C1CC1)C1CCC1 ZINC001406777870 1004085454 /nfs/dbraw/zinc/08/54/54/1004085454.db2.gz NNPAALKCWYISEL-MRXNPFEDSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001428683865 1004110545 /nfs/dbraw/zinc/11/05/45/1004110545.db2.gz KZDHBRNEAWFCPN-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001428743761 1004143911 /nfs/dbraw/zinc/14/39/11/1004143911.db2.gz QQXKGNCXTWXHFE-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001428743761 1004143913 /nfs/dbraw/zinc/14/39/13/1004143913.db2.gz QQXKGNCXTWXHFE-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001406934672 1004235525 /nfs/dbraw/zinc/23/55/25/1004235525.db2.gz LCXYYHXFAWOBDN-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001406934672 1004235530 /nfs/dbraw/zinc/23/55/30/1004235530.db2.gz LCXYYHXFAWOBDN-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@H](NC1(CNC(=O)CC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001406979241 1004282039 /nfs/dbraw/zinc/28/20/39/1004282039.db2.gz QIPGAIMYUXFLCR-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001407118552 1004399892 /nfs/dbraw/zinc/39/98/92/1004399892.db2.gz YLGJFKVEOLSRMN-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001427465854 1004404223 /nfs/dbraw/zinc/40/42/23/1004404223.db2.gz SGCDQBCHJWKKDJ-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001427465854 1004404229 /nfs/dbraw/zinc/40/42/29/1004404229.db2.gz SGCDQBCHJWKKDJ-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO Cn1cc(CCN2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001407184434 1004454430 /nfs/dbraw/zinc/45/44/30/1004454430.db2.gz RIQXAIZDCZVEKF-KRWDZBQOSA-N 1 3 321.469 0.885 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CN2CCCC2)CC[N@@H+]1C ZINC001429288495 1004508823 /nfs/dbraw/zinc/50/88/23/1004508823.db2.gz OORBHCLIRLHLKD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)CN2CCCC2)CC[N@H+]1C ZINC001429288495 1004508829 /nfs/dbraw/zinc/50/88/29/1004508829.db2.gz OORBHCLIRLHLKD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001407277494 1004511520 /nfs/dbraw/zinc/51/15/20/1004511520.db2.gz ZPTFALQJYIFZDL-CZUORRHYSA-N 1 3 310.442 0.174 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001407334922 1004558226 /nfs/dbraw/zinc/55/82/26/1004558226.db2.gz JVYNHRCRVZLGPT-UHFFFAOYSA-N 1 3 321.425 0.401 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001407334922 1004558233 /nfs/dbraw/zinc/55/82/33/1004558233.db2.gz JVYNHRCRVZLGPT-UHFFFAOYSA-N 1 3 321.425 0.401 20 0 DCADHO Cn1nccc1CN1C[C@@H]2C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001407469513 1004670930 /nfs/dbraw/zinc/67/09/30/1004670930.db2.gz FGALVZIIXFKWAA-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO CCN(CC)C(=O)CN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001407563947 1004731621 /nfs/dbraw/zinc/73/16/21/1004731621.db2.gz OJVBZHWHSBONME-GASCZTMLSA-N 1 3 324.469 0.197 20 0 DCADHO CCC1([NH2+]C[C@H](O)COC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001407993870 1004976551 /nfs/dbraw/zinc/97/65/51/1004976551.db2.gz BRDVULYEYDDYAY-AWEZNQCLSA-N 1 3 324.425 0.320 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001408004776 1004980813 /nfs/dbraw/zinc/98/08/13/1004980813.db2.gz ZMVXWEIPHFHNHJ-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC(O)(CNCc2ccccn2)CC1 ZINC001408167866 1005087681 /nfs/dbraw/zinc/08/76/81/1005087681.db2.gz XPBWQVQNGNREHX-UHFFFAOYSA-N 1 3 320.437 0.476 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001414971593 1005434631 /nfs/dbraw/zinc/43/46/31/1005434631.db2.gz PWAOBEWURINMHM-HDJSIYSDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001414971593 1005434633 /nfs/dbraw/zinc/43/46/33/1005434633.db2.gz PWAOBEWURINMHM-HDJSIYSDSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001415168952 1005474488 /nfs/dbraw/zinc/47/44/88/1005474488.db2.gz MGDXJSMSUUGZQI-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001415168952 1005474490 /nfs/dbraw/zinc/47/44/90/1005474490.db2.gz MGDXJSMSUUGZQI-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001417136201 1005791383 /nfs/dbraw/zinc/79/13/83/1005791383.db2.gz BVZQFVHDBUIAJM-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001417136201 1005791385 /nfs/dbraw/zinc/79/13/85/1005791385.db2.gz BVZQFVHDBUIAJM-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001417787636 1005890782 /nfs/dbraw/zinc/89/07/82/1005890782.db2.gz XQTQEHFMRMCVTB-AVGNSLFASA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](C(=O)NC1CCC([NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001418187507 1006143809 /nfs/dbraw/zinc/14/38/09/1006143809.db2.gz RJLQNCGVEDBTNI-PFSRBDOWSA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)CCCF)C1 ZINC001436464747 1006198960 /nfs/dbraw/zinc/19/89/60/1006198960.db2.gz UTPDYKSCGMQWAP-OAHLLOKOSA-N 1 3 317.449 0.972 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](CCO)CCCF)C1 ZINC001436464747 1006198963 /nfs/dbraw/zinc/19/89/63/1006198963.db2.gz UTPDYKSCGMQWAP-OAHLLOKOSA-N 1 3 317.449 0.972 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1C[C@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001438922410 1006232014 /nfs/dbraw/zinc/23/20/14/1006232014.db2.gz VXNNPOLXVBJWBU-CJNGLKHVSA-N 1 3 306.410 0.769 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1C[C@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001438922410 1006232026 /nfs/dbraw/zinc/23/20/26/1006232026.db2.gz VXNNPOLXVBJWBU-CJNGLKHVSA-N 1 3 306.410 0.769 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001418274097 1006288737 /nfs/dbraw/zinc/28/87/37/1006288737.db2.gz HGNOWOUVPCRJCX-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001418296412 1006322258 /nfs/dbraw/zinc/32/22/58/1006322258.db2.gz BFRVRIJXCZRFMT-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)CC1 ZINC001436808161 1006381721 /nfs/dbraw/zinc/38/17/21/1006381721.db2.gz IIINYTRSLMQEMB-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001418334806 1006395435 /nfs/dbraw/zinc/39/54/35/1006395435.db2.gz BDMYRJJUWAUPNX-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001439063600 1006426630 /nfs/dbraw/zinc/42/66/30/1006426630.db2.gz FYCHGQGDOSNJAP-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001436934244 1006463908 /nfs/dbraw/zinc/46/39/08/1006463908.db2.gz IDKBIQLFIIVWCN-SHTZXODSSA-N 1 3 324.469 0.622 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC ZINC001437058872 1006554781 /nfs/dbraw/zinc/55/47/81/1006554781.db2.gz SVFBQMLMTKMGSY-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001439284395 1006656610 /nfs/dbraw/zinc/65/66/10/1006656610.db2.gz IGTKUEQFDVUTFO-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001437164436 1006660436 /nfs/dbraw/zinc/66/04/36/1006660436.db2.gz FLKUKNMIPOXEPG-GXTWGEPZSA-N 1 3 308.426 0.320 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437185311 1006681389 /nfs/dbraw/zinc/68/13/89/1006681389.db2.gz IGBHGNNOYLZQOB-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001437209360 1006710227 /nfs/dbraw/zinc/71/02/27/1006710227.db2.gz QAXMTUVBYXWGMO-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001439400147 1006809026 /nfs/dbraw/zinc/80/90/26/1006809026.db2.gz JZUQDXDVZPQHLO-AWEZNQCLSA-N 1 3 322.453 0.664 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001439400147 1006809040 /nfs/dbraw/zinc/80/90/40/1006809040.db2.gz JZUQDXDVZPQHLO-AWEZNQCLSA-N 1 3 322.453 0.664 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439783545 1007193663 /nfs/dbraw/zinc/19/36/63/1007193663.db2.gz IBEYDLKDRDKYEE-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439783545 1007193666 /nfs/dbraw/zinc/19/36/66/1007193666.db2.gz IBEYDLKDRDKYEE-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 ZINC001439863706 1007268420 /nfs/dbraw/zinc/26/84/20/1007268420.db2.gz DIYUBPRAXPFQGG-INIZCTEOSA-N 1 3 322.457 0.591 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 ZINC001439863706 1007268429 /nfs/dbraw/zinc/26/84/29/1007268429.db2.gz DIYUBPRAXPFQGG-INIZCTEOSA-N 1 3 322.457 0.591 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437718918 1007305190 /nfs/dbraw/zinc/30/51/90/1007305190.db2.gz FVSJKYXRTMWMOW-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001437733791 1007331177 /nfs/dbraw/zinc/33/11/77/1007331177.db2.gz APAVUXSHLGBXLI-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)N1CCCCC1 ZINC001437830183 1007439578 /nfs/dbraw/zinc/43/95/78/1007439578.db2.gz RNLKJXNUSFLCLQ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001437843667 1007455578 /nfs/dbraw/zinc/45/55/78/1007455578.db2.gz JWAWULZTLJBCCG-OCCSQVGLSA-N 1 3 312.458 0.288 20 0 DCADHO Cn1cc(CN2C[C@@H]3C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C3)cn1 ZINC001440107624 1007494911 /nfs/dbraw/zinc/49/49/11/1007494911.db2.gz GXWAKNPDNXPRLV-IMJJTQAJSA-N 1 3 319.453 0.841 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001440194726 1007570101 /nfs/dbraw/zinc/57/01/01/1007570101.db2.gz JQSFRUUTMUAFHL-SOUVJXGZSA-N 1 3 315.433 0.724 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001440194726 1007570108 /nfs/dbraw/zinc/57/01/08/1007570108.db2.gz JQSFRUUTMUAFHL-SOUVJXGZSA-N 1 3 315.433 0.724 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437994269 1007572903 /nfs/dbraw/zinc/57/29/03/1007572903.db2.gz VIKUTVJWDKWPIF-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001440320925 1007669502 /nfs/dbraw/zinc/66/95/02/1007669502.db2.gz MOXYSIDTFWRNFP-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCC(=O)N2CCCCC2)CCC1 ZINC001440329998 1007676665 /nfs/dbraw/zinc/67/66/65/1007676665.db2.gz CJLOKXWZRIUJCC-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@H]2CCCNC2=O)C1 ZINC001440464113 1007798313 /nfs/dbraw/zinc/79/83/13/1007798313.db2.gz JSVDQELIGZOULD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@H]2CCCNC2=O)C1 ZINC001440464113 1007798319 /nfs/dbraw/zinc/79/83/19/1007798319.db2.gz JSVDQELIGZOULD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC(C)C ZINC001438375220 1007869691 /nfs/dbraw/zinc/86/96/91/1007869691.db2.gz WSMCXBBWXOANBZ-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC(C)C ZINC001438375220 1007869698 /nfs/dbraw/zinc/86/96/98/1007869698.db2.gz WSMCXBBWXOANBZ-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H]([NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1)C(N)=O ZINC001438389025 1007877337 /nfs/dbraw/zinc/87/73/37/1007877337.db2.gz ZCWJDCFUGKVRRV-LBPRGKRZSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001440762172 1008003580 /nfs/dbraw/zinc/00/35/80/1008003580.db2.gz VFIWZKXIZQBTHT-SSDMNJCBSA-N 1 3 322.457 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)C[C@@H]1CCc2ncnn21 ZINC001440981580 1008155552 /nfs/dbraw/zinc/15/55/52/1008155552.db2.gz DUZGGXNLNBBWRX-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C[C@@H]1CCc2ncnn21 ZINC001440981580 1008155554 /nfs/dbraw/zinc/15/55/54/1008155554.db2.gz DUZGGXNLNBBWRX-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO Cc1nn(C)cc1CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248283 1008289147 /nfs/dbraw/zinc/28/91/47/1008289147.db2.gz AAGKAJGCWLPXLK-GOEBONIOSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248283 1008289155 /nfs/dbraw/zinc/28/91/55/1008289155.db2.gz AAGKAJGCWLPXLK-GOEBONIOSA-N 1 3 319.453 0.665 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001441459303 1008363560 /nfs/dbraw/zinc/36/35/60/1008363560.db2.gz HGAWWKAPQHXMTC-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]CC1CC(C)(C)C1 ZINC001441775422 1008497706 /nfs/dbraw/zinc/49/77/06/1008497706.db2.gz SAUQHIZZJGYNSY-ZDUSSCGKSA-N 1 3 308.426 0.764 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001453474848 1008519584 /nfs/dbraw/zinc/51/95/84/1008519584.db2.gz HLSLDODIYIZZHR-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N(C)C2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001441822652 1008519762 /nfs/dbraw/zinc/51/97/62/1008519762.db2.gz LLGCYPIXCFTUQQ-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NCC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001441831702 1008531935 /nfs/dbraw/zinc/53/19/35/1008531935.db2.gz WDSJTQIPYSUKQH-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001453559090 1008581230 /nfs/dbraw/zinc/58/12/30/1008581230.db2.gz UMUSEVILTKJOAQ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001453559090 1008581244 /nfs/dbraw/zinc/58/12/44/1008581244.db2.gz UMUSEVILTKJOAQ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441935806 1008674711 /nfs/dbraw/zinc/67/47/11/1008674711.db2.gz PBYDPTRQRVZWMM-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441935806 1008674719 /nfs/dbraw/zinc/67/47/19/1008674719.db2.gz PBYDPTRQRVZWMM-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001421533399 1008695950 /nfs/dbraw/zinc/69/59/50/1008695950.db2.gz ZOPRERMXXUXBCF-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NCc2nnc(C)[nH]2)C1 ZINC001421533399 1008695953 /nfs/dbraw/zinc/69/59/53/1008695953.db2.gz ZOPRERMXXUXBCF-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001421545753 1008710519 /nfs/dbraw/zinc/71/05/19/1008710519.db2.gz BPQXEFJJCXTACT-LSDHHAIUSA-N 1 3 321.469 0.944 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001453862416 1008771888 /nfs/dbraw/zinc/77/18/88/1008771888.db2.gz QYTIEFOKODMUJK-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001453862416 1008771893 /nfs/dbraw/zinc/77/18/93/1008771893.db2.gz QYTIEFOKODMUJK-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001433443357 1008791944 /nfs/dbraw/zinc/79/19/44/1008791944.db2.gz BVGTYIRPKXHUKQ-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO COC[C@H](C)N1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001421611747 1008794663 /nfs/dbraw/zinc/79/46/63/1008794663.db2.gz IOYLESZJCBNUPX-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001442009846 1008799758 /nfs/dbraw/zinc/79/97/58/1008799758.db2.gz NJKNOVPKSRQIMI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001442009846 1008799771 /nfs/dbraw/zinc/79/97/71/1008799771.db2.gz NJKNOVPKSRQIMI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001442009511 1008799990 /nfs/dbraw/zinc/79/99/90/1008799990.db2.gz MCAHUPMZJTVMSO-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001454011218 1008852037 /nfs/dbraw/zinc/85/20/37/1008852037.db2.gz GCFZXSCVPFRWKT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCC1CCN([C@H](C)C(N)=O)CC1 ZINC001421642230 1008858412 /nfs/dbraw/zinc/85/84/12/1008858412.db2.gz SLICQXJTVYRFDN-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCC1CCN([C@H](C)C(N)=O)CC1 ZINC001421642230 1008858421 /nfs/dbraw/zinc/85/84/21/1008858421.db2.gz SLICQXJTVYRFDN-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001442150066 1009023719 /nfs/dbraw/zinc/02/37/19/1009023719.db2.gz LPQDUJWMFACHSC-CYBMUJFWSA-N 1 3 308.430 0.093 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C(C)(C)C)C1 ZINC001442169455 1009047542 /nfs/dbraw/zinc/04/75/42/1009047542.db2.gz DATRWDYIJVDOLT-JSGCOSHPSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C(C)(C)C)C1 ZINC001442169455 1009047553 /nfs/dbraw/zinc/04/75/53/1009047553.db2.gz DATRWDYIJVDOLT-JSGCOSHPSA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H](C)C(=O)NC)C(C)(C)C ZINC001442175240 1009055371 /nfs/dbraw/zinc/05/53/71/1009055371.db2.gz ZFTIMCSKLPHCLO-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001421949385 1009299051 /nfs/dbraw/zinc/29/90/51/1009299051.db2.gz ZJKMOJZUWVNFHQ-STQMWFEESA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001433952457 1009392416 /nfs/dbraw/zinc/39/24/16/1009392416.db2.gz JCOICIYGOXDVQV-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001433952457 1009392426 /nfs/dbraw/zinc/39/24/26/1009392426.db2.gz JCOICIYGOXDVQV-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001422152436 1009562659 /nfs/dbraw/zinc/56/26/59/1009562659.db2.gz ZXBQXXGCUMAHIW-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001434171377 1009631822 /nfs/dbraw/zinc/63/18/22/1009631822.db2.gz HALPWTPAWVLKDL-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001434171377 1009631833 /nfs/dbraw/zinc/63/18/33/1009631833.db2.gz HALPWTPAWVLKDL-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001422209140 1009649970 /nfs/dbraw/zinc/64/99/70/1009649970.db2.gz HDLDKNOIVYFDAA-CQSZACIVSA-N 1 3 324.469 0.374 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001422209140 1009649981 /nfs/dbraw/zinc/64/99/81/1009649981.db2.gz HDLDKNOIVYFDAA-CQSZACIVSA-N 1 3 324.469 0.374 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001455375322 1009692718 /nfs/dbraw/zinc/69/27/18/1009692718.db2.gz ASKHICGSBLDBQV-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001455375322 1009692721 /nfs/dbraw/zinc/69/27/21/1009692721.db2.gz ASKHICGSBLDBQV-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1CCn1cccn1 ZINC001442815772 1009770712 /nfs/dbraw/zinc/77/07/12/1009770712.db2.gz JQIORRJKKOOTRQ-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1CCn1cccn1 ZINC001442815772 1009770719 /nfs/dbraw/zinc/77/07/19/1009770719.db2.gz JQIORRJKKOOTRQ-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO C[C@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422390537 1009999345 /nfs/dbraw/zinc/99/93/45/1009999345.db2.gz GKYRCECYINWEQQ-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC001422423714 1010062282 /nfs/dbraw/zinc/06/22/82/1010062282.db2.gz QBHUPHPENLFLBD-YMAMQOFZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001456301757 1010180368 /nfs/dbraw/zinc/18/03/68/1010180368.db2.gz VWMTVOWABMMAIO-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001443235708 1010248655 /nfs/dbraw/zinc/24/86/55/1010248655.db2.gz BFFKAVMJVSCXEO-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001443235708 1010248669 /nfs/dbraw/zinc/24/86/69/1010248669.db2.gz BFFKAVMJVSCXEO-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)CCc1cnn(C)c1 ZINC001422602623 1010389162 /nfs/dbraw/zinc/38/91/62/1010389162.db2.gz KWQYHCNPWJBKEH-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CCc1cnn(C)c1 ZINC001422602623 1010389166 /nfs/dbraw/zinc/38/91/66/1010389166.db2.gz KWQYHCNPWJBKEH-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001422614935 1010405823 /nfs/dbraw/zinc/40/58/23/1010405823.db2.gz ABAIHCLBKCKEND-GDBMZVCRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001422728035 1010534857 /nfs/dbraw/zinc/53/48/57/1010534857.db2.gz GUBZLBVPTBNJDZ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001422728035 1010534864 /nfs/dbraw/zinc/53/48/64/1010534864.db2.gz GUBZLBVPTBNJDZ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C(=O)Cc1c[nH]cn1 ZINC001508883565 1017090384 /nfs/dbraw/zinc/09/03/84/1017090384.db2.gz DASKHTWEJTVFNK-YRGRVCCFSA-N 1 3 321.425 0.256 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)Cc1c[nH]cn1 ZINC001508883565 1017090397 /nfs/dbraw/zinc/09/03/97/1017090397.db2.gz DASKHTWEJTVFNK-YRGRVCCFSA-N 1 3 321.425 0.256 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422736996 1010550720 /nfs/dbraw/zinc/55/07/20/1010550720.db2.gz VJYDYSXYMAPUFG-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](NCc1ccccn1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001422854324 1010676350 /nfs/dbraw/zinc/67/63/50/1010676350.db2.gz KZAMKOFSUGUIAT-GDBMZVCRSA-N 1 3 320.437 0.739 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001422933625 1010751427 /nfs/dbraw/zinc/75/14/27/1010751427.db2.gz QXMFFEOPQJQIRH-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001422933625 1010751433 /nfs/dbraw/zinc/75/14/33/1010751433.db2.gz QXMFFEOPQJQIRH-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC001422974659 1010779958 /nfs/dbraw/zinc/77/99/58/1010779958.db2.gz SQSBXAMIPKEBKY-NUEKZKHPSA-N 1 3 303.406 0.981 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001443988281 1010790754 /nfs/dbraw/zinc/79/07/54/1010790754.db2.gz SNFZKZHSWIXFSL-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(=O)NC ZINC001423078206 1010868813 /nfs/dbraw/zinc/86/88/13/1010868813.db2.gz GGTYLEPRJVGUSR-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCc2ccnn2C)CC1)N(C)C ZINC001423248008 1011015012 /nfs/dbraw/zinc/01/50/12/1011015012.db2.gz VTXPBQGHXSZNAW-CQSZACIVSA-N 1 3 307.442 0.541 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001423340360 1011088272 /nfs/dbraw/zinc/08/82/72/1011088272.db2.gz JSKQJWVAGUKEDN-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001423418186 1011136593 /nfs/dbraw/zinc/13/65/93/1011136593.db2.gz LPQVORUUKDJTQA-KBPBESRZSA-N 1 3 322.457 0.530 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001444701802 1011137737 /nfs/dbraw/zinc/13/77/37/1011137737.db2.gz SXDMCRMUKLVJDY-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001444708978 1011141167 /nfs/dbraw/zinc/14/11/67/1011141167.db2.gz MMMLOFWMQKFHLC-NWDGAFQWSA-N 1 3 320.441 0.706 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC ZINC001423453499 1011160396 /nfs/dbraw/zinc/16/03/96/1011160396.db2.gz MTUKLBQHMYTDSA-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)NC ZINC001423453499 1011160405 /nfs/dbraw/zinc/16/04/05/1011160405.db2.gz MTUKLBQHMYTDSA-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001423469843 1011171015 /nfs/dbraw/zinc/17/10/15/1011171015.db2.gz QQRZRXPSIHOAPU-NWDGAFQWSA-N 1 3 307.398 0.057 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001423495732 1011188595 /nfs/dbraw/zinc/18/85/95/1011188595.db2.gz MLUBXCZEUHOGJW-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001423495732 1011188598 /nfs/dbraw/zinc/18/85/98/1011188598.db2.gz MLUBXCZEUHOGJW-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001423631601 1011367600 /nfs/dbraw/zinc/36/76/00/1011367600.db2.gz BPOWUGUCALJCIK-RDJZCZTQSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001423638885 1011377025 /nfs/dbraw/zinc/37/70/25/1011377025.db2.gz VNPRAJSVEATWEJ-YOEHRIQHSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001534947742 1011738656 /nfs/dbraw/zinc/73/86/56/1011738656.db2.gz XHMDBXFZSGBBDD-UKRRQHHQSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001445459467 1011790946 /nfs/dbraw/zinc/79/09/46/1011790946.db2.gz XFSQUCBEMRKUQZ-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001445479070 1011806550 /nfs/dbraw/zinc/80/65/50/1011806550.db2.gz AUUFEWYLASNOHV-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445484595 1011815847 /nfs/dbraw/zinc/81/58/47/1011815847.db2.gz XIPDOIWBUXDITM-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)CCC[NH+](C)C ZINC001457751192 1011857067 /nfs/dbraw/zinc/85/70/67/1011857067.db2.gz WNMPAXSMXOGJCW-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH2+]CC1CCN(C(=O)c2cnc([C@@H]3CCCN3)nc2)CC1 ZINC001553358167 1011916689 /nfs/dbraw/zinc/91/66/89/1011916689.db2.gz MCPCKYHBWRDPOU-AWEZNQCLSA-N 1 3 303.410 0.973 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001432084271 1011953334 /nfs/dbraw/zinc/95/33/34/1011953334.db2.gz PNAJQARYVNYGMD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001432084271 1011953350 /nfs/dbraw/zinc/95/33/50/1011953350.db2.gz PNAJQARYVNYGMD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1 ZINC001553441067 1011978290 /nfs/dbraw/zinc/97/82/90/1011978290.db2.gz ZKIFJMGOMWBEDG-WBVHZDCISA-N 1 3 324.469 0.868 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@]12CC[NH2+]C2 ZINC001553445632 1011981304 /nfs/dbraw/zinc/98/13/04/1011981304.db2.gz OOMONOICHFYCJB-IIAWOOMASA-N 1 3 308.426 0.387 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@]12CC[NH2+]C2 ZINC001553445629 1011982924 /nfs/dbraw/zinc/98/29/24/1011982924.db2.gz OOMONOICHFYCJB-FMKPAKJESA-N 1 3 308.426 0.387 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC12CCC2 ZINC001553444213 1011983275 /nfs/dbraw/zinc/98/32/75/1011983275.db2.gz KEQMVPDDHYKEGG-MELADBBJSA-N 1 3 308.426 0.372 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553514174 1012057762 /nfs/dbraw/zinc/05/77/62/1012057762.db2.gz IJQMBTHHMNPUER-BARDWOONSA-N 1 3 310.442 0.225 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553513430 1012058513 /nfs/dbraw/zinc/05/85/13/1012058513.db2.gz ZDPAGYZRKJCKIX-PMPSAXMXSA-N 1 3 324.469 0.759 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001424141261 1012073927 /nfs/dbraw/zinc/07/39/27/1012073927.db2.gz ZHZHLZAUTWSBRX-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC1(C)C[NH2+][C@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553553945 1012101427 /nfs/dbraw/zinc/10/14/27/1012101427.db2.gz RGLRITLGEGEQEZ-SOUVJXGZSA-N 1 3 324.469 0.615 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC(N)=O)CCC1 ZINC001445895738 1012404800 /nfs/dbraw/zinc/40/48/00/1012404800.db2.gz WNIMJEBZEIJDOS-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)N(C)C ZINC001445962695 1012464876 /nfs/dbraw/zinc/46/48/76/1012464876.db2.gz BUVIDWCDZSCSQA-DOMZBBRYSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)(C(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1)N1CCCC1 ZINC001445962792 1012466672 /nfs/dbraw/zinc/46/66/72/1012466672.db2.gz UNMWJFDDACRAAH-ZIAGYGMSSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001432483106 1012549426 /nfs/dbraw/zinc/54/94/26/1012549426.db2.gz ASRDKTIAGDBBPQ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001459278004 1012665022 /nfs/dbraw/zinc/66/50/22/1012665022.db2.gz XRXMGMLPEJSBDP-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001459278004 1012665030 /nfs/dbraw/zinc/66/50/30/1012665030.db2.gz XRXMGMLPEJSBDP-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001446292058 1012728103 /nfs/dbraw/zinc/72/81/03/1012728103.db2.gz HWXPBNBTPQKKOH-OAHLLOKOSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001446292058 1012728121 /nfs/dbraw/zinc/72/81/21/1012728121.db2.gz HWXPBNBTPQKKOH-OAHLLOKOSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001479564467 1017586576 /nfs/dbraw/zinc/58/65/76/1017586576.db2.gz MBKKNGORYUJSGV-IPYPFGDCSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001479696249 1017655900 /nfs/dbraw/zinc/65/59/00/1017655900.db2.gz VMJMNRVKEJXVDN-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC(=O)NC ZINC001506951388 1017693940 /nfs/dbraw/zinc/69/39/40/1017693940.db2.gz RBANFVJXIBPLOM-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001506950439 1017695161 /nfs/dbraw/zinc/69/51/61/1017695161.db2.gz GOBJAVYIAOPSNF-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001506970705 1017723661 /nfs/dbraw/zinc/72/36/61/1017723661.db2.gz PFMBXKRIJSMJCT-ZDUSSCGKSA-N 1 3 312.458 0.515 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCc2cccnc2)CC[N@@H+]1C ZINC001497039574 1017769087 /nfs/dbraw/zinc/76/90/87/1017769087.db2.gz JGJPXKLJASJEAH-CWRNSKLLSA-N 1 3 320.437 0.379 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCc2cccnc2)CC[N@H+]1C ZINC001497039574 1017769103 /nfs/dbraw/zinc/76/91/03/1017769103.db2.gz JGJPXKLJASJEAH-CWRNSKLLSA-N 1 3 320.437 0.379 20 0 DCADHO Cc1ccccc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001497119862 1017891566 /nfs/dbraw/zinc/89/15/66/1017891566.db2.gz VIAGJTWHVHOOPA-INIZCTEOSA-N 1 3 307.438 0.902 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC(=O)NC2CC2)C2CC2)CCC1 ZINC001480022878 1018133265 /nfs/dbraw/zinc/13/32/65/1018133265.db2.gz IWADQXAINQOIJF-CQSZACIVSA-N 1 3 322.453 0.234 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCC(=O)N1CCCC1 ZINC001499920201 1018135293 /nfs/dbraw/zinc/13/52/93/1018135293.db2.gz AWLKSDGKZGGYMC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001494905974 1018142745 /nfs/dbraw/zinc/14/27/45/1018142745.db2.gz NSFWETMMDWDSFH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001494905974 1018142749 /nfs/dbraw/zinc/14/27/49/1018142749.db2.gz NSFWETMMDWDSFH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)N(C)C ZINC001499940041 1018143527 /nfs/dbraw/zinc/14/35/27/1018143527.db2.gz VYTVCQRRAXKTRZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)N(C)C ZINC001499940041 1018143535 /nfs/dbraw/zinc/14/35/35/1018143535.db2.gz VYTVCQRRAXKTRZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)c1 ZINC001499955480 1018150632 /nfs/dbraw/zinc/15/06/32/1018150632.db2.gz RZBQBTUJXOEBKB-HNNXBMFYSA-N 1 3 318.421 0.428 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001480060963 1018172458 /nfs/dbraw/zinc/17/24/58/1018172458.db2.gz ZWRAIONTONQYLY-TZMCWYRMSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001480060963 1018172464 /nfs/dbraw/zinc/17/24/64/1018172464.db2.gz ZWRAIONTONQYLY-TZMCWYRMSA-N 1 3 320.441 0.439 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cncn3C)C2)CCC1 ZINC001480142112 1018249426 /nfs/dbraw/zinc/24/94/26/1018249426.db2.gz KEIUSFJOHMKEAS-JOCQHMNTSA-N 1 3 305.426 0.641 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001495030425 1018251696 /nfs/dbraw/zinc/25/16/96/1018251696.db2.gz AULHVBIYGUZZPK-LBPRGKRZSA-N 1 3 300.447 0.289 20 0 DCADHO CC(C)N1CC[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)C1=O ZINC001497673046 1018326574 /nfs/dbraw/zinc/32/65/74/1018326574.db2.gz DBYUTPCBRLBJDQ-VBROQKIQSA-N 1 3 310.442 0.209 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001480238894 1018351020 /nfs/dbraw/zinc/35/10/20/1018351020.db2.gz YQRZAEKIYGJKFA-GASCZTMLSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001497911373 1018509941 /nfs/dbraw/zinc/50/99/41/1018509941.db2.gz VYEJEWGYZAYIGR-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480461689 1018555670 /nfs/dbraw/zinc/55/56/70/1018555670.db2.gz AZJWZFGGORVGHW-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001497998631 1018571033 /nfs/dbraw/zinc/57/10/33/1018571033.db2.gz JDQLLBBUKCYNLJ-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001497998631 1018571041 /nfs/dbraw/zinc/57/10/41/1018571041.db2.gz JDQLLBBUKCYNLJ-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)n1 ZINC001498117908 1018667459 /nfs/dbraw/zinc/66/74/59/1018667459.db2.gz KLLNENXNYQLXCG-OLZOCXBDSA-N 1 3 322.457 0.331 20 0 DCADHO CCCCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480575728 1018673828 /nfs/dbraw/zinc/67/38/28/1018673828.db2.gz VXNXCTKKULSKBQ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC(C)(C)C ZINC001480575009 1018674117 /nfs/dbraw/zinc/67/41/17/1018674117.db2.gz PJQXLSYDWRYHEG-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccn(C)n1 ZINC001495743191 1018678151 /nfs/dbraw/zinc/67/81/51/1018678151.db2.gz NDSAQBRTMUHJAP-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001498194353 1018740990 /nfs/dbraw/zinc/74/09/90/1018740990.db2.gz BTTNXMYHAZPLKU-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001498194353 1018741005 /nfs/dbraw/zinc/74/10/05/1018741005.db2.gz BTTNXMYHAZPLKU-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001498196927 1018743362 /nfs/dbraw/zinc/74/33/62/1018743362.db2.gz CEYHRKLIVUQJRY-SWLSCSKDSA-N 1 3 320.437 0.720 20 0 DCADHO CCn1cc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001480658380 1018749146 /nfs/dbraw/zinc/74/91/46/1018749146.db2.gz DHSWADAVWABPSB-ZDUSSCGKSA-N 1 3 308.430 0.188 20 0 DCADHO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCN2C)nn1 ZINC001480754226 1018865109 /nfs/dbraw/zinc/86/51/09/1018865109.db2.gz RTXUUWOMDJNORH-OCCSQVGLSA-N 1 3 321.425 0.564 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001498325759 1018952115 /nfs/dbraw/zinc/95/21/15/1018952115.db2.gz VKVFXWDJUQKKGH-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001498325759 1018952117 /nfs/dbraw/zinc/95/21/17/1018952117.db2.gz VKVFXWDJUQKKGH-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103965 1019072803 /nfs/dbraw/zinc/07/28/03/1019072803.db2.gz PVWVNNXXAMRDAF-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001498487689 1019163084 /nfs/dbraw/zinc/16/30/84/1019163084.db2.gz SBAKRTZFPXTLOA-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)[nH]1 ZINC001498492333 1019165812 /nfs/dbraw/zinc/16/58/12/1019165812.db2.gz UDZIQTHSCWMYJR-UONOGXRCSA-N 1 3 322.457 0.829 20 0 DCADHO CC(C)C[C@H](CN[C@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001496279199 1019212827 /nfs/dbraw/zinc/21/28/27/1019212827.db2.gz LKJBNHCMOCVBKY-ZIAGYGMSSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001498636802 1019289130 /nfs/dbraw/zinc/28/91/30/1019289130.db2.gz AVLVVYLZDDHUFM-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001498638478 1019289387 /nfs/dbraw/zinc/28/93/87/1019289387.db2.gz VQEHLBYXBYVBND-UHFFFAOYSA-N 1 3 321.425 0.177 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001498638478 1019289391 /nfs/dbraw/zinc/28/93/91/1019289391.db2.gz VQEHLBYXBYVBND-UHFFFAOYSA-N 1 3 321.425 0.177 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001498817907 1019447729 /nfs/dbraw/zinc/44/77/29/1019447729.db2.gz ZPPMPFDEQBAOQS-HNNXBMFYSA-N 1 3 319.453 0.746 20 0 DCADHO CN(CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001501864631 1019529369 /nfs/dbraw/zinc/52/93/69/1019529369.db2.gz JBRLVVPDIRYIJC-VQTKUKTRSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001501864631 1019529380 /nfs/dbraw/zinc/52/93/80/1019529380.db2.gz JBRLVVPDIRYIJC-VQTKUKTRSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001493681930 1019627748 /nfs/dbraw/zinc/62/77/48/1019627748.db2.gz RNLGYCHFTQTLSD-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CC[C@@H](C)F)C1 ZINC001502094655 1019710666 /nfs/dbraw/zinc/71/06/66/1019710666.db2.gz KWOVBFBKLWAGRK-KGLIPLIRSA-N 1 3 303.422 0.892 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001502101516 1019720318 /nfs/dbraw/zinc/72/03/18/1019720318.db2.gz CVMGVFPGQXXMMI-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CC(N)=O ZINC001493870963 1019779701 /nfs/dbraw/zinc/77/97/01/1019779701.db2.gz HFNMAOWABCXWSG-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CC(N)=O ZINC001493870963 1019779717 /nfs/dbraw/zinc/77/97/17/1019779717.db2.gz HFNMAOWABCXWSG-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420064690 282119881 /nfs/dbraw/zinc/11/98/81/282119881.db2.gz UNTNHASWWAWDDY-JSGCOSHPSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420123759 535048035 /nfs/dbraw/zinc/04/80/35/535048035.db2.gz MHOWHBCPXKMEFW-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)/C=C/C=C/C(=O)N[C@@H](C)C[NH+](C)C ZINC000287187152 295881363 /nfs/dbraw/zinc/88/13/63/295881363.db2.gz LZJHQAMAYWJBMC-FETIZUMASA-N 1 3 310.442 0.231 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000343873949 291049277 /nfs/dbraw/zinc/04/92/77/291049277.db2.gz NIHNKFFBGIJCGT-AEGPPILISA-N 1 3 323.437 0.742 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000343873949 291049282 /nfs/dbraw/zinc/04/92/82/291049282.db2.gz NIHNKFFBGIJCGT-AEGPPILISA-N 1 3 323.437 0.742 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000342767002 291050561 /nfs/dbraw/zinc/05/05/61/291050561.db2.gz ZNXUATOBXDCKPQ-FQUUOJAGSA-N 1 3 313.442 0.750 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC([NH3+])CC2)CC1=O ZINC000236838559 202032591 /nfs/dbraw/zinc/03/25/91/202032591.db2.gz AFJZESHMALMRGE-ZFWWWQNUSA-N 1 3 322.453 0.269 20 0 DCADHO CN(C)CC[NH+]1CCC(CNC(=O)c2coc(CN)c2)CC1 ZINC000188123049 200197558 /nfs/dbraw/zinc/19/75/58/200197558.db2.gz HCRWIBXUVFNTGW-UHFFFAOYSA-N 1 3 308.426 0.742 20 0 DCADHO C[NH+](C)CCN1CCC(CNC(=O)c2coc(CN)c2)CC1 ZINC000188123049 200197560 /nfs/dbraw/zinc/19/75/60/200197560.db2.gz HCRWIBXUVFNTGW-UHFFFAOYSA-N 1 3 308.426 0.742 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000154802096 291215658 /nfs/dbraw/zinc/21/56/58/291215658.db2.gz UJYUKQKHNMFCDK-UHFFFAOYSA-N 1 3 306.410 0.707 20 0 DCADHO CN(C)CCn1ccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000566462931 291304519 /nfs/dbraw/zinc/30/45/19/291304519.db2.gz YRCXIPVELYREMH-MRXNPFEDSA-N 1 3 305.426 0.613 20 0 DCADHO CN(C)CCn1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000566462931 291304521 /nfs/dbraw/zinc/30/45/21/291304521.db2.gz YRCXIPVELYREMH-MRXNPFEDSA-N 1 3 305.426 0.613 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000420122952 240018242 /nfs/dbraw/zinc/01/82/42/240018242.db2.gz NFRYGXREXXSQCQ-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCNC[C@@](C)(F)C2)CC1 ZINC000420325734 240022852 /nfs/dbraw/zinc/02/28/52/240022852.db2.gz DFPLLLBLJWMLBV-MRXNPFEDSA-N 1 3 314.449 0.609 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000420032805 240012107 /nfs/dbraw/zinc/01/21/07/240012107.db2.gz VBWAAEZBCQXIHR-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420064500 240013662 /nfs/dbraw/zinc/01/36/62/240013662.db2.gz OYSCETNHQYQNBJ-HNNXBMFYSA-N 1 3 324.469 0.420 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420919566 240069023 /nfs/dbraw/zinc/06/90/23/240069023.db2.gz SIDYRIGXDXDQCU-SLTAFYQDSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423386291 240198090 /nfs/dbraw/zinc/19/80/90/240198090.db2.gz HCJIFDSRAVGGLC-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423585759 240218194 /nfs/dbraw/zinc/21/81/94/240218194.db2.gz AJRVCSKZSPDPIT-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC000423710540 240240948 /nfs/dbraw/zinc/24/09/48/240240948.db2.gz LDUPNGWLUNDRGZ-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C(=O)NCCN1CCCCC1 ZINC000569925709 291503165 /nfs/dbraw/zinc/50/31/65/291503165.db2.gz RMOOKCZRWIDZHK-JKIFEVAISA-N 1 3 322.453 0.093 20 0 DCADHO CCCN(CCN(C)C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574758857 291714351 /nfs/dbraw/zinc/71/43/51/291714351.db2.gz AKXMRNDORFUUQX-CYBMUJFWSA-N 1 3 308.430 0.444 20 0 DCADHO Cc1sc(CN)nc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001646842192 1172559892 /nfs/dbraw/zinc/55/98/92/1172559892.db2.gz NWVWYODGJCLMPA-MWLCHTKSSA-N 1 3 311.455 0.274 20 0 DCADHO Cc1sc(CN)nc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001646842192 1172559898 /nfs/dbraw/zinc/55/98/98/1172559898.db2.gz NWVWYODGJCLMPA-MWLCHTKSSA-N 1 3 311.455 0.274 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1nnc(N)s1 ZINC001646981768 1172618832 /nfs/dbraw/zinc/61/88/32/1172618832.db2.gz XRIPJHTWUGBZJL-JTQLQIEISA-N 1 3 314.459 0.051 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1nnc(N)s1 ZINC001646981768 1172618834 /nfs/dbraw/zinc/61/88/34/1172618834.db2.gz XRIPJHTWUGBZJL-JTQLQIEISA-N 1 3 314.459 0.051 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000339634144 253118711 /nfs/dbraw/zinc/11/87/11/253118711.db2.gz MMBHJIUAPIPQCE-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339639276 253120668 /nfs/dbraw/zinc/12/06/68/253120668.db2.gz SVHVUDVOXIQRNR-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000339670081 253123924 /nfs/dbraw/zinc/12/39/24/253123924.db2.gz LBXRTHHWICESCA-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(CC)CC1 ZINC000339673481 253123972 /nfs/dbraw/zinc/12/39/72/253123972.db2.gz YHVMTZFGFWAXIT-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000340123212 253204501 /nfs/dbraw/zinc/20/45/01/253204501.db2.gz OGTXMPDFTDNALK-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN(C)C)NC(=O)[C@H](C)[C@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000346147462 254016419 /nfs/dbraw/zinc/01/64/19/254016419.db2.gz WRLHMOWHMQDUCO-KPWCQOOUSA-N 1 3 314.474 0.391 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346147462 254016420 /nfs/dbraw/zinc/01/64/20/254016420.db2.gz WRLHMOWHMQDUCO-KPWCQOOUSA-N 1 3 314.474 0.391 20 0 DCADHO CC[NH+]1CCN(CCC(=O)NCCNc2cccc(C)n2)CC1 ZINC000346250352 254027280 /nfs/dbraw/zinc/02/72/80/254027280.db2.gz XBUXJGOSKWNUFH-UHFFFAOYSA-N 1 3 319.453 0.946 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000347049621 254124843 /nfs/dbraw/zinc/12/48/43/254124843.db2.gz NDIUVPIEQQELLW-KKUMJFAQSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000347049621 254124844 /nfs/dbraw/zinc/12/48/44/254124844.db2.gz NDIUVPIEQQELLW-KKUMJFAQSA-N 1 3 310.442 0.633 20 0 DCADHO CCOC[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000348831999 254259445 /nfs/dbraw/zinc/25/94/45/254259445.db2.gz HORUTSQAMCEQFF-MRXNPFEDSA-N 1 3 313.486 0.733 20 0 DCADHO O=C(CCOC1CNC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000349001053 254268601 /nfs/dbraw/zinc/26/86/01/254268601.db2.gz OGXNQLQFJNYSOM-UHFFFAOYSA-N 1 3 311.426 0.126 20 0 DCADHO NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351475796 254337682 /nfs/dbraw/zinc/33/76/82/254337682.db2.gz JGBDRXJWUVIULI-AEGPPILISA-N 1 3 316.405 0.783 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000349909748 254303493 /nfs/dbraw/zinc/30/34/93/254303493.db2.gz ZFVNZVLBZNTLTM-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000349909748 254303494 /nfs/dbraw/zinc/30/34/94/254303494.db2.gz ZFVNZVLBZNTLTM-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000350252821 254314586 /nfs/dbraw/zinc/31/45/86/254314586.db2.gz NHNLTGMBEFSDIM-HZPDHXFCSA-N 1 3 310.442 0.677 20 0 DCADHO CN(C)Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000351562154 254347219 /nfs/dbraw/zinc/34/72/19/254347219.db2.gz JIJUCHTYMZCBLM-CQSZACIVSA-N 1 3 304.394 0.555 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353474892 254458217 /nfs/dbraw/zinc/45/82/17/254458217.db2.gz WUQYTUZUDVGWSG-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)NCCOCC[NH+](C)C)C1(C)C ZINC000233783444 395887394 /nfs/dbraw/zinc/88/73/94/395887394.db2.gz UKBMPURHFWRTPC-SWLSCSKDSA-N 1 3 301.431 0.213 20 0 DCADHO COCC[NH2+]CC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000237179699 395905156 /nfs/dbraw/zinc/90/51/56/395905156.db2.gz FSBPJHSMTFJOEI-KBPBESRZSA-N 1 3 301.431 0.228 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CN1C1CC1 ZINC000237481251 395913611 /nfs/dbraw/zinc/91/36/11/395913611.db2.gz BSNXGDCBGKYTOM-VXGBXAGGSA-N 1 3 318.425 0.558 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN(C)C)CC1=O ZINC000246814195 395957631 /nfs/dbraw/zinc/95/76/31/395957631.db2.gz KIVBWDXMTOCZLM-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCN(C)C)CC1=O ZINC000246814195 395957634 /nfs/dbraw/zinc/95/76/34/395957634.db2.gz KIVBWDXMTOCZLM-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO O=C1CNC(=O)N1CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247060064 395965866 /nfs/dbraw/zinc/96/58/66/395965866.db2.gz ZROHUUDGIIJRKN-UKRRQHHQSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1CNC(=O)N1CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247060064 395965869 /nfs/dbraw/zinc/96/58/69/395965869.db2.gz ZROHUUDGIIJRKN-UKRRQHHQSA-N 1 3 320.437 0.877 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC[N@H+](C)C2CCCC2)CC1=O ZINC000155902127 396059343 /nfs/dbraw/zinc/05/93/43/396059343.db2.gz DJLWRVAWBUQRIE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC[N@@H+](C)C2CCCC2)CC1=O ZINC000155902127 396059346 /nfs/dbraw/zinc/05/93/46/396059346.db2.gz DJLWRVAWBUQRIE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000152515559 396011241 /nfs/dbraw/zinc/01/12/41/396011241.db2.gz QBBWNOWTPODGFP-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000171201167 396111198 /nfs/dbraw/zinc/11/11/98/396111198.db2.gz IKLWYZRZFGYHRM-HUUCEWRRSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000171201167 396111201 /nfs/dbraw/zinc/11/12/01/396111201.db2.gz IKLWYZRZFGYHRM-HUUCEWRRSA-N 1 3 314.474 0.984 20 0 DCADHO NC(=O)c1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)nc1 ZINC000262280119 396117663 /nfs/dbraw/zinc/11/76/63/396117663.db2.gz ULCVWRVYHRQANZ-UHFFFAOYSA-N 1 3 303.410 0.302 20 0 DCADHO C[NH2+]CCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262318531 396122948 /nfs/dbraw/zinc/12/29/48/396122948.db2.gz DVQXAFDODJPBCE-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000073904285 396153348 /nfs/dbraw/zinc/15/33/48/396153348.db2.gz FNMRRAMOYITWBX-LSDHHAIUSA-N 1 3 313.490 0.509 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000262859253 396188736 /nfs/dbraw/zinc/18/87/36/396188736.db2.gz LBQXZEBWKISTPN-MCIONIFRSA-N 1 3 301.431 0.356 20 0 DCADHO CCN(C(=O)/C=C/CN(C)C)C1CN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000280670031 396214188 /nfs/dbraw/zinc/21/41/88/396214188.db2.gz CRCCCUXEZBRGDO-FIFLTTCUSA-N 1 3 322.453 0.281 20 0 DCADHO CCN(C(=O)/C=C/C[NH+](C)C)C1CN(C(=O)/C=C/CN(C)C)C1 ZINC000280670031 396214190 /nfs/dbraw/zinc/21/41/90/396214190.db2.gz CRCCCUXEZBRGDO-FIFLTTCUSA-N 1 3 322.453 0.281 20 0 DCADHO CC(C)[C@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265672270 396336238 /nfs/dbraw/zinc/33/62/38/396336238.db2.gz HNDAPSSVFKQVNW-DRLQDRKMSA-N 1 3 324.469 0.479 20 0 DCADHO CC(C)[C@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265672270 396336239 /nfs/dbraw/zinc/33/62/39/396336239.db2.gz HNDAPSSVFKQVNW-DRLQDRKMSA-N 1 3 324.469 0.479 20 0 DCADHO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000372332339 396507972 /nfs/dbraw/zinc/50/79/72/396507972.db2.gz KWWNHYCHQNLETJ-INIZCTEOSA-N 1 3 320.437 0.560 20 0 DCADHO Cc1nccn1CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000580996296 396516959 /nfs/dbraw/zinc/51/69/59/396516959.db2.gz CRTCTDKDKLKHOZ-UHFFFAOYSA-N 1 3 314.393 0.977 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000594872361 396532197 /nfs/dbraw/zinc/53/21/97/396532197.db2.gz ACUHOSJFCHQZAD-MRXNPFEDSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000594872361 396532202 /nfs/dbraw/zinc/53/22/02/396532202.db2.gz ACUHOSJFCHQZAD-MRXNPFEDSA-N 1 3 308.470 0.615 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)Cn1cccn1 ZINC000581305435 396542294 /nfs/dbraw/zinc/54/22/94/396542294.db2.gz INBLOGJDPKPRJS-INIZCTEOSA-N 1 3 318.421 0.974 20 0 DCADHO C[C@@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000581428481 396554014 /nfs/dbraw/zinc/55/40/14/396554014.db2.gz JYGOQGLCZRTQMA-HIFRSBDPSA-N 1 3 306.414 0.433 20 0 DCADHO COCC1(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC[NH2+]CC1 ZINC000581478069 396557596 /nfs/dbraw/zinc/55/75/96/396557596.db2.gz ANIURRVKHKARFQ-ZIAGYGMSSA-N 1 3 324.469 0.927 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000581554562 396565341 /nfs/dbraw/zinc/56/53/41/396565341.db2.gz PFMNYIMFXPVXDE-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@@H]2CCC[C@H]21 ZINC000560528329 396619209 /nfs/dbraw/zinc/61/92/09/396619209.db2.gz PSBBOXSYJFKKSM-KCQAQPDRSA-N 1 3 303.410 0.669 20 0 DCADHO C[N@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@@H]2CCC[C@H]21 ZINC000560528329 396619215 /nfs/dbraw/zinc/61/92/15/396619215.db2.gz PSBBOXSYJFKKSM-KCQAQPDRSA-N 1 3 303.410 0.669 20 0 DCADHO COC[C@]1(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)CCC[NH2+]1 ZINC000584829082 396626814 /nfs/dbraw/zinc/62/68/14/396626814.db2.gz SFLZDHXIFGVSRV-WMLDXEAASA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H](CNC[C@@H](O)COC1CCOCC1)C[NH+]1CCCC1 ZINC000584834350 396627604 /nfs/dbraw/zinc/62/76/04/396627604.db2.gz KBDFGECZDLZCLM-HUUCEWRRSA-N 1 3 300.443 0.864 20 0 DCADHO C[C@H](C[NH2+]C[C@@H](O)COC1CCOCC1)CN1CCCC1 ZINC000584834350 396627606 /nfs/dbraw/zinc/62/76/06/396627606.db2.gz KBDFGECZDLZCLM-HUUCEWRRSA-N 1 3 300.443 0.864 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000584839019 396628321 /nfs/dbraw/zinc/62/83/21/396628321.db2.gz CLWKREISYCWADY-MJBXVCDLSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC000561308334 396638693 /nfs/dbraw/zinc/63/86/93/396638693.db2.gz OHJINBYMSICVEB-AVOUXACISA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC000561308334 396638695 /nfs/dbraw/zinc/63/86/95/396638695.db2.gz OHJINBYMSICVEB-AVOUXACISA-N 1 3 322.453 0.138 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000562821004 396682819 /nfs/dbraw/zinc/68/28/19/396682819.db2.gz VHGPXNLGLZWKDU-OAHLLOKOSA-N 1 3 318.421 0.274 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(CC[NH3+])CC2)CC1 ZINC000563275547 396718976 /nfs/dbraw/zinc/71/89/76/396718976.db2.gz NGHYTJDDUGVICD-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629535279 396780066 /nfs/dbraw/zinc/78/00/66/396780066.db2.gz CQJBVMXVKQUWMB-IHRRRGAJSA-N 1 3 319.471 0.096 20 0 DCADHO O[C@H](CNC[C@H]1CCN(CC(F)(F)F)C1)C[NH+]1CCCC1 ZINC000629557885 396785874 /nfs/dbraw/zinc/78/58/74/396785874.db2.gz HXQUODSJZUIFAX-CHWSQXEVSA-N 1 3 309.376 0.917 20 0 DCADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CC[C@H]1C(F)(F)F ZINC000629561686 396787395 /nfs/dbraw/zinc/78/73/95/396787395.db2.gz JBADCGZMIBILNK-GRYCIOLGSA-N 1 3 307.360 0.967 20 0 DCADHO O=C(NCCCNC[C@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000629561264 396788119 /nfs/dbraw/zinc/78/81/19/396788119.db2.gz HILBSQHGXGVPJM-INIZCTEOSA-N 1 3 323.412 0.992 20 0 DCADHO CNC(=O)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000315688974 396790682 /nfs/dbraw/zinc/79/06/82/396790682.db2.gz DHKCJPSQUXVGIK-HOTGVXAUSA-N 1 3 305.422 0.375 20 0 DCADHO O[C@H](CNC1CCN(c2cccnn2)CC1)C[NH+]1CCCC1 ZINC000629574457 396795191 /nfs/dbraw/zinc/79/51/91/396795191.db2.gz HTKDJAGGQVHDMH-OAHLLOKOSA-N 1 3 305.426 0.492 20 0 DCADHO CN1CCC[C@@]2(CCN(C(=O)NCCCN3CC[NH2+]CC3)C2)C1 ZINC000634191266 396810543 /nfs/dbraw/zinc/81/05/43/396810543.db2.gz PNFDAJVLIAJUFT-QGZVFWFLSA-N 1 3 323.485 0.409 20 0 DCADHO NCC(=O)N1CCC[C@H](CNc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000629665658 396816506 /nfs/dbraw/zinc/81/65/06/396816506.db2.gz YICWXUFLZXLDGQ-CYBMUJFWSA-N 1 3 318.421 0.778 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000564805009 396872332 /nfs/dbraw/zinc/87/23/32/396872332.db2.gz WVBASAOHFNPTAF-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000600998834 396986082 /nfs/dbraw/zinc/98/60/82/396986082.db2.gz DBVYCOCTVFUFJE-HNNXBMFYSA-N 1 3 322.453 0.237 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000612550266 397094111 /nfs/dbraw/zinc/09/41/11/397094111.db2.gz DIGPCORPUFHDOB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000612550266 397094117 /nfs/dbraw/zinc/09/41/17/397094117.db2.gz DIGPCORPUFHDOB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973063 397167985 /nfs/dbraw/zinc/16/79/85/397167985.db2.gz BURCFCAVWOHYPQ-OAHLLOKOSA-N 1 3 323.485 0.455 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612981138 397171036 /nfs/dbraw/zinc/17/10/36/397171036.db2.gz YDIGOHUMVYDCBQ-OAHLLOKOSA-N 1 3 323.485 0.407 20 0 DCADHO CN1CCC(C[NH2+]Cc2ccc(=O)[nH]c2)(N2CCOCC2)CC1 ZINC000631161609 397181106 /nfs/dbraw/zinc/18/11/06/397181106.db2.gz PCPXQWOFTWARKS-UHFFFAOYSA-N 1 3 320.437 0.673 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000574412033 397266077 /nfs/dbraw/zinc/26/60/77/397266077.db2.gz ZDGIXFXYJAVTHH-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)[C@H](CNC(=O)N(C)CCOCC[NH3+])Cc1ccccc1 ZINC000626921864 397289169 /nfs/dbraw/zinc/28/91/69/397289169.db2.gz LEPJAFOGKPDOBU-INIZCTEOSA-N 1 3 322.453 0.776 20 0 DCADHO COCCN(C)CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958609 397303363 /nfs/dbraw/zinc/30/33/63/397303363.db2.gz DVFZGLMLOFLZTF-GFCCVEGCSA-N 1 3 309.414 0.027 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CCN1C ZINC000592960258 397304444 /nfs/dbraw/zinc/30/44/44/397304444.db2.gz WERNKZPEBFHXCA-UPJWGTAASA-N 1 3 305.426 0.932 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416006164 397370608 /nfs/dbraw/zinc/37/06/08/397370608.db2.gz KXOYTAHSJBRQRW-UWVGGRQHSA-N 1 3 312.336 0.286 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000369044530 397431209 /nfs/dbraw/zinc/43/12/09/397431209.db2.gz OKIGZUZGHLEXEM-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000369044530 397431212 /nfs/dbraw/zinc/43/12/12/397431212.db2.gz OKIGZUZGHLEXEM-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(N)=O)CC2)CC1 ZINC000578519774 397447801 /nfs/dbraw/zinc/44/78/01/397447801.db2.gz HEOHQFXXVYZKIY-UHFFFAOYSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000370302404 397467757 /nfs/dbraw/zinc/46/77/57/397467757.db2.gz WKMSWQPEJGGUOL-FPCVCCKLSA-N 1 3 324.469 0.831 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000370302404 397467760 /nfs/dbraw/zinc/46/77/60/397467760.db2.gz WKMSWQPEJGGUOL-FPCVCCKLSA-N 1 3 324.469 0.831 20 0 DCADHO CC[C@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000491875440 397504600 /nfs/dbraw/zinc/50/46/00/397504600.db2.gz YQWCCZQBXGQJKE-PTGLWIRMSA-N 1 3 310.442 0.233 20 0 DCADHO CC[C@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000491875440 397504602 /nfs/dbraw/zinc/50/46/02/397504602.db2.gz YQWCCZQBXGQJKE-PTGLWIRMSA-N 1 3 310.442 0.233 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000579098841 397521733 /nfs/dbraw/zinc/52/17/33/397521733.db2.gz ZHTBPNFGHANNBR-OAHLLOKOSA-N 1 3 313.490 0.700 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000579221194 397535297 /nfs/dbraw/zinc/53/52/97/397535297.db2.gz MFSORUYYYCJLLI-RRFJBIMHSA-N 1 3 322.453 0.126 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604166457 397632041 /nfs/dbraw/zinc/63/20/41/397632041.db2.gz WWQVOZVHXNYXAJ-CQSZACIVSA-N 1 3 323.485 0.548 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604166457 397632043 /nfs/dbraw/zinc/63/20/43/397632043.db2.gz WWQVOZVHXNYXAJ-CQSZACIVSA-N 1 3 323.485 0.548 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000605880974 397673276 /nfs/dbraw/zinc/67/32/76/397673276.db2.gz KFWYNFQNWPCNGR-GJZGRUSLSA-N 1 3 310.442 0.491 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000605880974 397673277 /nfs/dbraw/zinc/67/32/77/397673277.db2.gz KFWYNFQNWPCNGR-GJZGRUSLSA-N 1 3 310.442 0.491 20 0 DCADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2C)CC1 ZINC000606371597 397679706 /nfs/dbraw/zinc/67/97/06/397679706.db2.gz ICIJRWIIYYHAFI-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000606371597 397679709 /nfs/dbraw/zinc/67/97/09/397679709.db2.gz ICIJRWIIYYHAFI-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CN1CCC(O)(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000607167201 397697842 /nfs/dbraw/zinc/69/78/42/397697842.db2.gz WQQHYPUVVBEJJL-UHFFFAOYSA-N 1 3 319.384 0.953 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1CCOCC1 ZINC000607239378 397699381 /nfs/dbraw/zinc/69/93/81/397699381.db2.gz VLOGNURUAKNXQK-UHFFFAOYSA-N 1 3 300.447 0.548 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106557320 158133836 /nfs/dbraw/zinc/13/38/36/158133836.db2.gz FYZOANXFCUTRJF-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106557320 158133839 /nfs/dbraw/zinc/13/38/39/158133839.db2.gz FYZOANXFCUTRJF-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COCC[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000165845275 158365905 /nfs/dbraw/zinc/36/59/05/158365905.db2.gz XSDQYYYRKVOUKZ-MRXNPFEDSA-N 1 3 305.422 0.783 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000167210228 158367499 /nfs/dbraw/zinc/36/74/99/158367499.db2.gz ATFSLIVSJLBEMY-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000347058726 287159419 /nfs/dbraw/zinc/15/94/19/287159419.db2.gz XRZQKDMHYCNYAM-GJZGRUSLSA-N 1 3 314.474 0.863 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000347058726 287159420 /nfs/dbraw/zinc/15/94/20/287159420.db2.gz XRZQKDMHYCNYAM-GJZGRUSLSA-N 1 3 314.474 0.863 20 0 DCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000354963876 287172920 /nfs/dbraw/zinc/17/29/20/287172920.db2.gz WWLDNIATDDDOMO-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355266479 287178863 /nfs/dbraw/zinc/17/88/63/287178863.db2.gz BVHQMAMLRPNHBH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000332619244 287218603 /nfs/dbraw/zinc/21/86/03/287218603.db2.gz NJUMLFBZIXCPFI-YJNKXOJESA-N 1 3 322.453 0.267 20 0 DCADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000418391923 287247339 /nfs/dbraw/zinc/24/73/39/287247339.db2.gz VUDPZULGLMVDMM-ZFWWWQNUSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000419050725 287264512 /nfs/dbraw/zinc/26/45/12/287264512.db2.gz YXQLMAADQMVBGN-ZDUSSCGKSA-N 1 3 324.469 0.611 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419149605 287269441 /nfs/dbraw/zinc/26/94/41/287269441.db2.gz FIILNUCJYBIYGH-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419149604 287269499 /nfs/dbraw/zinc/26/94/99/287269499.db2.gz FIILNUCJYBIYGH-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419149729 287269675 /nfs/dbraw/zinc/26/96/75/287269675.db2.gz LGWICNOALIVRJQ-TZMCWYRMSA-N 1 3 312.458 0.467 20 0 DCADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)CC[NH3+])CC1 ZINC000420389822 287295534 /nfs/dbraw/zinc/29/55/34/287295534.db2.gz YXPNERIGXWEFIO-UHFFFAOYSA-N 1 3 318.465 0.920 20 0 DCADHO C[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000332020764 415209099 /nfs/dbraw/zinc/20/90/99/415209099.db2.gz QWHREXHUMYXWAS-GJZGRUSLSA-N 1 3 312.458 0.866 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000332106021 415247926 /nfs/dbraw/zinc/24/79/26/415247926.db2.gz UHEAKRYSVRYZRJ-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332215146 415301685 /nfs/dbraw/zinc/30/16/85/415301685.db2.gz WGIGDXCWJPKSGZ-KGLIPLIRSA-N 1 3 308.426 0.023 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN(C)CCOC ZINC000352772596 415315360 /nfs/dbraw/zinc/31/53/60/415315360.db2.gz RJRYJHBFECJHSY-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCN(C)CCOC ZINC000352772596 415315362 /nfs/dbraw/zinc/31/53/62/415315362.db2.gz RJRYJHBFECJHSY-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000343008532 415405110 /nfs/dbraw/zinc/40/51/10/415405110.db2.gz HOLJQJXSUOVERN-GOOCMWNKSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000343008532 415405118 /nfs/dbraw/zinc/40/51/18/415405118.db2.gz HOLJQJXSUOVERN-GOOCMWNKSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CN)CC[C@H]21 ZINC000332582120 415417696 /nfs/dbraw/zinc/41/76/96/415417696.db2.gz GRZBBZSJOTZOJF-RBSFLKMASA-N 1 3 322.453 0.269 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CN)CC[C@H]21 ZINC000332582120 415417704 /nfs/dbraw/zinc/41/77/04/415417704.db2.gz GRZBBZSJOTZOJF-RBSFLKMASA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000332382868 415373110 /nfs/dbraw/zinc/37/31/10/415373110.db2.gz VGXUCNYBGIDDDP-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332684456 415439190 /nfs/dbraw/zinc/43/91/90/415439190.db2.gz PNSUJCRJOSYTOD-CABCVRRESA-N 1 3 322.453 0.413 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000343245987 415517294 /nfs/dbraw/zinc/51/72/94/415517294.db2.gz CPRWTWNROROXMM-KSZLIROESA-N 1 3 324.513 0.761 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NCC[N@H+](C)C1CC1 ZINC000353392802 415528292 /nfs/dbraw/zinc/52/82/92/415528292.db2.gz DTRDIOPIZDTIIW-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000353392802 415528299 /nfs/dbraw/zinc/52/82/99/415528299.db2.gz DTRDIOPIZDTIIW-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](C[NH3+])OC)N1CCc2ccccc2C1 ZINC000353424303 415538296 /nfs/dbraw/zinc/53/82/96/415538296.db2.gz FPDONPWSMPNTPK-HOTGVXAUSA-N 1 3 305.422 0.913 20 0 DCADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](CN)OC)cc1 ZINC000353449176 415548276 /nfs/dbraw/zinc/54/82/76/415548276.db2.gz NPADCZKAFWVSBE-SOUVJXGZSA-N 1 3 307.394 0.231 20 0 DCADHO Cc1cc(N2CC[C@H](NC[C@@H]3CC[NH2+][C@H](C)C3)C2=O)n(C)n1 ZINC000333099438 415555388 /nfs/dbraw/zinc/55/53/88/415555388.db2.gz DOWRBONRFKUVOY-BNOWGMLFSA-N 1 3 305.426 0.812 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000333341144 415614818 /nfs/dbraw/zinc/61/48/18/415614818.db2.gz YAMPTLVTTNWMKB-CVEARBPZSA-N 1 3 308.470 0.742 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000333341144 415614825 /nfs/dbraw/zinc/61/48/25/415614825.db2.gz YAMPTLVTTNWMKB-CVEARBPZSA-N 1 3 308.470 0.742 20 0 DCADHO C[C@H](NCC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000333344548 415616413 /nfs/dbraw/zinc/61/64/13/415616413.db2.gz YWBYDEGRGIAXIJ-JSGCOSHPSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H](Cn1cccn1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000353673985 415620469 /nfs/dbraw/zinc/62/04/69/415620469.db2.gz QONNSPOPLSVLIN-HNNXBMFYSA-N 1 3 307.442 0.853 20 0 DCADHO C[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N(C)C1CC1 ZINC000333436092 415649616 /nfs/dbraw/zinc/64/96/16/415649616.db2.gz VIMQJDBFLHAAOY-DZGCQCFKSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000353542956 415587604 /nfs/dbraw/zinc/58/76/04/415587604.db2.gz NZHJYRKOIFKLMA-KBPBESRZSA-N 1 3 312.458 0.737 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343403700 415589554 /nfs/dbraw/zinc/58/95/54/415589554.db2.gz NJYWLGMQYFPIIW-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343403700 415589561 /nfs/dbraw/zinc/58/95/61/415589561.db2.gz NJYWLGMQYFPIIW-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333501254 415667381 /nfs/dbraw/zinc/66/73/81/415667381.db2.gz HUHBIIVMRLIRCW-QLFBSQMISA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC([NH+]2CCCCC2)CC1 ZINC000333531148 415675657 /nfs/dbraw/zinc/67/56/57/415675657.db2.gz MGCJXTHTABGAHM-HNNXBMFYSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333628069 415698624 /nfs/dbraw/zinc/69/86/24/415698624.db2.gz GECMSJGRQNHFEW-FMKPAKJESA-N 1 3 324.469 0.879 20 0 DCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CNCCO1 ZINC000333794482 415740659 /nfs/dbraw/zinc/74/06/59/415740659.db2.gz MZDLSSYDSLYLOV-BARDWOONSA-N 1 3 312.458 0.640 20 0 DCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CNCCO1 ZINC000333794482 415740666 /nfs/dbraw/zinc/74/06/66/415740666.db2.gz MZDLSSYDSLYLOV-BARDWOONSA-N 1 3 312.458 0.640 20 0 DCADHO C[C@@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C)CN1 ZINC000333834836 415750225 /nfs/dbraw/zinc/75/02/25/415750225.db2.gz UDPYMNNSHMYHJO-ZIAGYGMSSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)CN1 ZINC000333834836 415750236 /nfs/dbraw/zinc/75/02/36/415750236.db2.gz UDPYMNNSHMYHJO-ZIAGYGMSSA-N 1 3 311.474 0.404 20 0 DCADHO CC[NH+](CC)CC1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC000336857774 415840718 /nfs/dbraw/zinc/84/07/18/415840718.db2.gz UUKMPUMGSGMASL-UHFFFAOYSA-N 1 3 310.442 0.982 20 0 DCADHO CC[C@@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CCC[NH2+]1 ZINC000296241581 415916042 /nfs/dbraw/zinc/91/60/42/415916042.db2.gz CPIVBLBKMOVDCJ-INIZCTEOSA-N 1 3 303.410 0.962 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCOC[C@H]2C)CC[C@@H]1N1CCN(C)CC1 ZINC000337180355 415921722 /nfs/dbraw/zinc/92/17/22/415921722.db2.gz LSXQRFARHZDTBJ-KURKYZTESA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCOC[C@H]2C)CC[C@@H]1N1CCN(C)CC1 ZINC000337180355 415921725 /nfs/dbraw/zinc/92/17/25/415921725.db2.gz LSXQRFARHZDTBJ-KURKYZTESA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CCN2CCOC[C@H]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000337180355 415921729 /nfs/dbraw/zinc/92/17/29/415921729.db2.gz LSXQRFARHZDTBJ-KURKYZTESA-N 1 3 324.513 0.665 20 0 DCADHO CNC(=O)[C@@]1(C)CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000337482897 415967977 /nfs/dbraw/zinc/96/79/77/415967977.db2.gz XDORFMVMRCFYDP-KRWDZBQOSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)[C@@]1(C)CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000337482897 415967981 /nfs/dbraw/zinc/96/79/81/415967981.db2.gz XDORFMVMRCFYDP-KRWDZBQOSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1CCCOC1 ZINC000356852394 415996701 /nfs/dbraw/zinc/99/67/01/415996701.db2.gz RMAYTTDYLRVRCH-DLBZAZTESA-N 1 3 313.486 0.781 20 0 DCADHO COCC1(O)CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000337293751 415937966 /nfs/dbraw/zinc/93/79/66/415937966.db2.gz HEEPRRHXRWOUNX-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000357248887 416052516 /nfs/dbraw/zinc/05/25/16/416052516.db2.gz WGZBKKMLLGIOMD-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000357248887 416052521 /nfs/dbraw/zinc/05/25/21/416052521.db2.gz WGZBKKMLLGIOMD-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000300710395 416073025 /nfs/dbraw/zinc/07/30/25/416073025.db2.gz OFHYNSQLQCYEDK-MGPQQGTHSA-N 1 3 303.472 0.826 20 0 DCADHO CS(=O)(=O)NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300710395 416073028 /nfs/dbraw/zinc/07/30/28/416073028.db2.gz OFHYNSQLQCYEDK-MGPQQGTHSA-N 1 3 303.472 0.826 20 0 DCADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000167417951 416022702 /nfs/dbraw/zinc/02/27/02/416022702.db2.gz FVKOQACZABIBHQ-MRXNPFEDSA-N 1 3 317.433 0.869 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338024564 416034808 /nfs/dbraw/zinc/03/48/08/416034808.db2.gz UVKGWEATIXUGHR-AXFHLTTASA-N 1 3 310.364 0.312 20 0 DCADHO CN(C(=O)C[NH2+]CC1CC1)C1CCN(CCn2cccn2)CC1 ZINC000178886096 416175281 /nfs/dbraw/zinc/17/52/81/416175281.db2.gz DALRJWBSDUNCFA-UHFFFAOYSA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000346114008 416188395 /nfs/dbraw/zinc/18/83/95/416188395.db2.gz FVGCNMVXRDTCBB-UONOGXRCSA-N 1 3 324.469 0.526 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000358117114 416195520 /nfs/dbraw/zinc/19/55/20/416195520.db2.gz AKLALPZZOCLVBI-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000358117114 416195522 /nfs/dbraw/zinc/19/55/22/416195522.db2.gz AKLALPZZOCLVBI-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000358267586 416218728 /nfs/dbraw/zinc/21/87/28/416218728.db2.gz ACKBYSNPGAZEOU-ILXRZTDVSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000358267586 416218729 /nfs/dbraw/zinc/21/87/29/416218729.db2.gz ACKBYSNPGAZEOU-ILXRZTDVSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000351533848 416277814 /nfs/dbraw/zinc/27/78/14/416277814.db2.gz JEQTWNLUPAGKGE-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C1CC1 ZINC000359319784 416322284 /nfs/dbraw/zinc/32/22/84/416322284.db2.gz IVHLVLKNYWCURA-DOMZBBRYSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)C1CC1 ZINC000359319784 416322287 /nfs/dbraw/zinc/32/22/87/416322287.db2.gz IVHLVLKNYWCURA-DOMZBBRYSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000359244537 416316056 /nfs/dbraw/zinc/31/60/56/416316056.db2.gz YISGJJSZXIFKNZ-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO C[N@H+](CCO)C1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000331466338 416317010 /nfs/dbraw/zinc/31/70/10/416317010.db2.gz HPQAZPFPQVJKII-ZDUSSCGKSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@@H+](CCO)C1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000331466338 416317012 /nfs/dbraw/zinc/31/70/12/416317012.db2.gz HPQAZPFPQVJKII-ZDUSSCGKSA-N 1 3 310.442 0.321 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000352086256 416286129 /nfs/dbraw/zinc/28/61/29/416286129.db2.gz BIOLLODXFUKXFW-AAEUAGOBSA-N 1 3 300.447 0.178 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000263225935 416337381 /nfs/dbraw/zinc/33/73/81/416337381.db2.gz GMZZNWKWVLFKPZ-IPYPFGDCSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000263225935 416337382 /nfs/dbraw/zinc/33/73/82/416337382.db2.gz GMZZNWKWVLFKPZ-IPYPFGDCSA-N 1 3 312.458 0.323 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000415919107 416357805 /nfs/dbraw/zinc/35/78/05/416357805.db2.gz MNJKGHZJGZAXOK-INIZCTEOSA-N 1 3 306.410 0.984 20 0 DCADHO CC[NH+]1CCC(N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000360109829 416370927 /nfs/dbraw/zinc/37/09/27/416370927.db2.gz JKPMQIMDQWVHHC-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419920381 416415042 /nfs/dbraw/zinc/41/50/42/416415042.db2.gz WXJQXMNGIJTNKU-KFWWJZLASA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000419954264 416415407 /nfs/dbraw/zinc/41/54/07/416415407.db2.gz LYUIAGHVJBCVNQ-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N(CC[NH3+])CCO)CN1Cc1ccccc1 ZINC000417878955 416384856 /nfs/dbraw/zinc/38/48/56/416384856.db2.gz RCJMMMTXBOXDKK-GOEBONIOSA-N 1 3 320.437 0.612 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCN1CCCO ZINC000418711069 416389293 /nfs/dbraw/zinc/38/92/93/416389293.db2.gz VOGQKHVFKBILAT-UONOGXRCSA-N 1 3 300.447 0.650 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000418836046 416391455 /nfs/dbraw/zinc/39/14/55/416391455.db2.gz OVNXZMBOLVGANB-CQSZACIVSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN(C(=O)C(=O)NCCN(CC)CC)C1CC[NH2+]CC1 ZINC000419741736 416408596 /nfs/dbraw/zinc/40/85/96/416408596.db2.gz ZJUSNJFTXHESOL-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419808656 416413419 /nfs/dbraw/zinc/41/34/19/416413419.db2.gz VJRLOCADXDDSEH-AWEZNQCLSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423199883 416478946 /nfs/dbraw/zinc/47/89/46/416478946.db2.gz LEHPSRLMQSJDTI-RHSMWYFYSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000583935038 416485787 /nfs/dbraw/zinc/48/57/87/416485787.db2.gz LSSRYPPBGUOVOF-CHWSQXEVSA-N 1 3 312.458 0.561 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000458648821 416488685 /nfs/dbraw/zinc/48/86/85/416488685.db2.gz FXNDSTFZADTNPQ-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000422329961 416426692 /nfs/dbraw/zinc/42/66/92/416426692.db2.gz JLCCQSFXGCXMSG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000422329961 416426695 /nfs/dbraw/zinc/42/66/95/416426695.db2.gz JLCCQSFXGCXMSG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000422485825 416434056 /nfs/dbraw/zinc/43/40/56/416434056.db2.gz FOBYAYKEPJXXQH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000422485825 416434058 /nfs/dbraw/zinc/43/40/58/416434058.db2.gz FOBYAYKEPJXXQH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423628398 416530445 /nfs/dbraw/zinc/53/04/45/416530445.db2.gz WFNPHRGFLFSIHI-HUUCEWRRSA-N 1 3 322.453 0.413 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423694608 416541787 /nfs/dbraw/zinc/54/17/87/416541787.db2.gz KQKSFRZWPMWYSE-GXTWGEPZSA-N 1 3 310.442 0.267 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000534110777 416492661 /nfs/dbraw/zinc/49/26/61/416492661.db2.gz QAEVLUYFIAUCFU-GJZGRUSLSA-N 1 3 312.458 0.689 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458820138 416503789 /nfs/dbraw/zinc/50/37/89/416503789.db2.gz WOPKPDZIXJONKV-GJZGRUSLSA-N 1 3 314.474 0.861 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458820138 416503794 /nfs/dbraw/zinc/50/37/94/416503794.db2.gz WOPKPDZIXJONKV-GJZGRUSLSA-N 1 3 314.474 0.861 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000361830337 416504937 /nfs/dbraw/zinc/50/49/37/416504937.db2.gz QOFXAHQXYYLPCO-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361830337 416504940 /nfs/dbraw/zinc/50/49/40/416504940.db2.gz QOFXAHQXYYLPCO-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO C[NH+]1CCC2(CCCN2C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535072961 416515374 /nfs/dbraw/zinc/51/53/74/416515374.db2.gz FVJLSLLCJXEZDH-OAHLLOKOSA-N 1 3 306.454 0.463 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424133828 416614812 /nfs/dbraw/zinc/61/48/12/416614812.db2.gz MTRPLBNXQZHHMR-KBPBESRZSA-N 1 3 322.457 0.909 20 0 DCADHO COc1nc(C)ccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000539722712 416581283 /nfs/dbraw/zinc/58/12/83/416581283.db2.gz XLJLKLKWEUBNPY-UHFFFAOYSA-N 1 3 308.426 0.964 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425060774 416681178 /nfs/dbraw/zinc/68/11/78/416681178.db2.gz WZPCIAFIDKSZGF-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425060774 416681181 /nfs/dbraw/zinc/68/11/81/416681181.db2.gz WZPCIAFIDKSZGF-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCN2CCC[C@H]2C1 ZINC000424144543 416617989 /nfs/dbraw/zinc/61/79/89/416617989.db2.gz LPHFSJLKZHIRTE-STQMWFEESA-N 1 3 304.398 0.123 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CC12CC[NH2+]CC2 ZINC000424149557 416618392 /nfs/dbraw/zinc/61/83/92/416618392.db2.gz BWLVDSKLAHLGTL-RDBSUJKOSA-N 1 3 317.437 0.721 20 0 DCADHO COC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000514937714 416683959 /nfs/dbraw/zinc/68/39/59/416683959.db2.gz DTOCGKDZTOGPMC-IRXDYDNUSA-N 1 3 308.422 0.740 20 0 DCADHO COC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000514937714 416683961 /nfs/dbraw/zinc/68/39/61/416683961.db2.gz DTOCGKDZTOGPMC-IRXDYDNUSA-N 1 3 308.422 0.740 20 0 DCADHO COCCN1CC[C@@H](NC(=O)C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000516865138 416748945 /nfs/dbraw/zinc/74/89/45/416748945.db2.gz QFZPLOXLXABTFE-HZPDHXFCSA-N 1 3 305.422 0.783 20 0 DCADHO CCN1CCC(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000442780401 416713589 /nfs/dbraw/zinc/71/35/89/416713589.db2.gz KQYYIMDCQMDAEI-XYPWUTKMSA-N 1 3 308.470 0.802 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000556942869 416721613 /nfs/dbraw/zinc/72/16/13/416721613.db2.gz NHHFDTDLGSJNFH-LBPRGKRZSA-N 1 3 318.421 0.727 20 0 DCADHO C[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000557139412 416726207 /nfs/dbraw/zinc/72/62/07/416726207.db2.gz FNUZOCKAIRUJGP-LSDHHAIUSA-N 1 3 311.474 0.391 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000516924125 416756145 /nfs/dbraw/zinc/75/61/45/416756145.db2.gz GGLIDWBCHPHEAR-CYBMUJFWSA-N 1 3 308.430 0.621 20 0 DCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369400215 416769696 /nfs/dbraw/zinc/76/96/96/416769696.db2.gz GNAOCGLQEOHNKG-XHSDSOJGSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369400215 416769699 /nfs/dbraw/zinc/76/96/99/416769699.db2.gz GNAOCGLQEOHNKG-XHSDSOJGSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000631930609 416809795 /nfs/dbraw/zinc/80/97/95/416809795.db2.gz RGILOGGMDFOMCY-UHFFFAOYSA-N 1 3 303.472 0.734 20 0 DCADHO CN(C)[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631936953 416815792 /nfs/dbraw/zinc/81/57/92/416815792.db2.gz PTLAFTRXUXUNDD-AWEZNQCLSA-N 1 3 303.472 0.828 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000631939800 416818038 /nfs/dbraw/zinc/81/80/38/416818038.db2.gz JTIFOPSMDOVPKJ-UHFFFAOYSA-N 1 3 315.483 0.878 20 0 DCADHO C[C@@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000518532160 416863145 /nfs/dbraw/zinc/86/31/45/416863145.db2.gz ZEKLZRPQFWHSQO-LLVKDONJSA-N 1 3 305.426 0.930 20 0 DCADHO C[C@H]1C[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)CCN1C ZINC000632029400 416875114 /nfs/dbraw/zinc/87/51/14/416875114.db2.gz CYLZZHOCWVYBKY-UONOGXRCSA-N 1 3 303.472 0.874 20 0 DCADHO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)CCCN1CCCC1)C2 ZINC000631953191 416829463 /nfs/dbraw/zinc/82/94/63/416829463.db2.gz FAOXFMXVUMTYMU-UONOGXRCSA-N 1 3 301.456 0.615 20 0 DCADHO CCOCC[C@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000444668225 416857272 /nfs/dbraw/zinc/85/72/72/416857272.db2.gz ZFHGLWBHWKUIEF-INIZCTEOSA-N 1 3 301.475 0.732 20 0 DCADHO CCOCC[C@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000444668225 416857280 /nfs/dbraw/zinc/85/72/80/416857280.db2.gz ZFHGLWBHWKUIEF-INIZCTEOSA-N 1 3 301.475 0.732 20 0 DCADHO CN(C)CCCS(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000632212379 416961258 /nfs/dbraw/zinc/96/12/58/416961258.db2.gz PJKUZAHODMVRLT-UHFFFAOYSA-N 1 3 305.488 0.980 20 0 DCADHO CC(C)[N@H+](C)Cc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623862547 416909218 /nfs/dbraw/zinc/90/92/18/416909218.db2.gz XCGWZCKYFBAWBK-UHFFFAOYSA-N 1 3 301.398 0.571 20 0 DCADHO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623862547 416909222 /nfs/dbraw/zinc/90/92/22/416909222.db2.gz XCGWZCKYFBAWBK-UHFFFAOYSA-N 1 3 301.398 0.571 20 0 DCADHO CN1CCN(CCCCNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000519710021 416931377 /nfs/dbraw/zinc/93/13/77/416931377.db2.gz KQNZBBZCLYFWEB-AWEZNQCLSA-N 1 3 314.499 0.225 20 0 DCADHO C[C@H](c1ccccc1)[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623976286 416931537 /nfs/dbraw/zinc/93/15/37/416931537.db2.gz DXPFKOPLBYZXOZ-LLVKDONJSA-N 1 3 313.409 0.756 20 0 DCADHO CN1C(=O)NC2(CC[NH+](CC[C@H]3CCCCN3C)CC2)C1=O ZINC000372373394 416936526 /nfs/dbraw/zinc/93/65/26/416936526.db2.gz CNFUFAJHWMUUMW-CYBMUJFWSA-N 1 3 308.426 0.877 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565238103 416954802 /nfs/dbraw/zinc/95/48/02/416954802.db2.gz GBOJGRTURPQFLZ-HZSPNIEDSA-N 1 3 308.426 0.021 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565238103 416954805 /nfs/dbraw/zinc/95/48/05/416954805.db2.gz GBOJGRTURPQFLZ-HZSPNIEDSA-N 1 3 308.426 0.021 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000642013782 417022677 /nfs/dbraw/zinc/02/26/77/417022677.db2.gz HBRKRFYFHBCPIE-KFWWJZLASA-N 1 3 310.442 0.396 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]([NH3+])CCSC)CC1 ZINC000431031063 417097662 /nfs/dbraw/zinc/09/76/62/417097662.db2.gz UNHZCWQJTWOVIE-QWHCGFSZSA-N 1 3 302.488 0.209 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785660 417097914 /nfs/dbraw/zinc/09/79/14/417097914.db2.gz CDVWDAXGKXQQFO-KKUMJFAQSA-N 1 3 322.453 0.221 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000642785729 417100081 /nfs/dbraw/zinc/10/00/81/417100081.db2.gz FRKZSAKGRHFLJW-GJZGRUSLSA-N 1 3 322.453 0.221 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000642439476 417051352 /nfs/dbraw/zinc/05/13/52/417051352.db2.gz IKWHPELBJDPECI-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000642439328 417052642 /nfs/dbraw/zinc/05/26/42/417052642.db2.gz BTFHTJAIBCYZQJ-MCIONIFRSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000642439855 417054465 /nfs/dbraw/zinc/05/44/65/417054465.db2.gz PJVFVIBDZZJOHO-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1(C)C ZINC000377572779 417057188 /nfs/dbraw/zinc/05/71/88/417057188.db2.gz UBVFVHWRLLYUBY-CPUCHLNUSA-N 1 3 324.469 0.025 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCC(C)CC1 ZINC000642644444 417065815 /nfs/dbraw/zinc/06/58/15/417065815.db2.gz IEOWHLZDDOVDAP-ZNMIVQPWSA-N 1 3 322.453 0.043 20 0 DCADHO CC[NH+]1CCC(n2nccc2NC(=O)COC2CNC2)CC1 ZINC000430835523 417069302 /nfs/dbraw/zinc/06/93/02/417069302.db2.gz CRXWIDIYZVDGIA-UHFFFAOYSA-N 1 3 307.398 0.467 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cncn1 ZINC000624649618 417076388 /nfs/dbraw/zinc/07/63/88/417076388.db2.gz QYIMJQXFHCSCDE-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cncn1 ZINC000624649618 417076391 /nfs/dbraw/zinc/07/63/91/417076391.db2.gz QYIMJQXFHCSCDE-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CN)C1CC[NH+](C)CC1 ZINC000642724501 417079289 /nfs/dbraw/zinc/07/92/89/417079289.db2.gz RWHYVKSLNUAPQS-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1O ZINC000637369563 417081111 /nfs/dbraw/zinc/08/11/11/417081111.db2.gz ZJNXOZCTEMDIJH-JYJNAYRXSA-N 1 3 324.469 0.710 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1O ZINC000637369563 417081120 /nfs/dbraw/zinc/08/11/20/417081120.db2.gz ZJNXOZCTEMDIJH-JYJNAYRXSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000430932113 417084905 /nfs/dbraw/zinc/08/49/05/417084905.db2.gz FOPUKQIUCAFOCV-ZDUSSCGKSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(CCN(C)C)CC1 ZINC000448601992 417086340 /nfs/dbraw/zinc/08/63/40/417086340.db2.gz ZLHPILDATFZOCU-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(CCN(C)C)CC1 ZINC000448601992 417086347 /nfs/dbraw/zinc/08/63/47/417086347.db2.gz ZLHPILDATFZOCU-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642755833 417088800 /nfs/dbraw/zinc/08/88/00/417088800.db2.gz CDWCZKCXWFLKRK-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000642809745 417107858 /nfs/dbraw/zinc/10/78/58/417107858.db2.gz DTHHSJDTGSANEV-HZSPNIEDSA-N 1 3 322.453 0.043 20 0 DCADHO C[NH+](C)CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524792614 417120973 /nfs/dbraw/zinc/12/09/73/417120973.db2.gz JKAMSXVJACPFSK-QGZVFWFLSA-N 1 3 305.422 0.691 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000642911698 417122201 /nfs/dbraw/zinc/12/22/01/417122201.db2.gz SLFAMSZWEBUJJT-BARDWOONSA-N 1 3 322.453 0.458 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000642910478 417122413 /nfs/dbraw/zinc/12/24/13/417122413.db2.gz GYAJJDZUXZCNPG-GFCCVEGCSA-N 1 3 324.400 0.179 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1=O ZINC000430726842 287351215 /nfs/dbraw/zinc/35/12/15/287351215.db2.gz WZEVVGWMCLMBHN-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000568490439 417142591 /nfs/dbraw/zinc/14/25/91/417142591.db2.gz SAVMFUJHWXOIHO-GJZGRUSLSA-N 1 3 312.458 0.785 20 0 DCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000568490439 417142599 /nfs/dbraw/zinc/14/25/99/417142599.db2.gz SAVMFUJHWXOIHO-GJZGRUSLSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000642982053 417136082 /nfs/dbraw/zinc/13/60/82/417136082.db2.gz OQVPFLPEGNKLPR-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000568534620 417151213 /nfs/dbraw/zinc/15/12/13/417151213.db2.gz PLUORMDKFJQDMQ-QLFBSQMISA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CCF)c1 ZINC000626786895 417168195 /nfs/dbraw/zinc/16/81/95/417168195.db2.gz COKJPUGTNNUTDW-UHFFFAOYSA-N 1 3 314.409 0.810 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC[C@H]1[NH3+] ZINC000643505765 417229412 /nfs/dbraw/zinc/22/94/12/417229412.db2.gz IOJGBZUKOLEFEM-HZSPNIEDSA-N 1 3 310.442 0.125 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000568845292 417185093 /nfs/dbraw/zinc/18/50/93/417185093.db2.gz SSKMHVVBTBEVTQ-UHFFFAOYSA-N 1 3 318.421 0.729 20 0 DCADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000432523697 417187620 /nfs/dbraw/zinc/18/76/20/417187620.db2.gz OQGAGVOVHBZBPQ-DRPJVOAASA-N 1 3 303.406 0.661 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CCOCC[NH3+] ZINC000626982463 417196706 /nfs/dbraw/zinc/19/67/06/417196706.db2.gz IEAGCTAKQJFGIQ-CQSZACIVSA-N 1 3 300.447 0.868 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N(C)CCOCC[NH3+])CCCO1 ZINC000627020184 417211028 /nfs/dbraw/zinc/21/10/28/417211028.db2.gz DTQUPRCNBRYUOU-AWEZNQCLSA-N 1 3 316.446 0.104 20 0 DCADHO CC(CC(=O)NC[C@H](C)N(C)C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000412397172 417215477 /nfs/dbraw/zinc/21/54/77/417215477.db2.gz YSBOTAAHTHDOPM-KBPBESRZSA-N 1 3 314.474 0.535 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643468719 417216880 /nfs/dbraw/zinc/21/68/80/417216880.db2.gz KWYAAUMLYLUCBD-KFWWJZLASA-N 1 3 315.483 0.922 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NS(=O)(=O)CCC[NH+](C)C ZINC000632560929 417165597 /nfs/dbraw/zinc/16/55/97/417165597.db2.gz DERAVPSQPGLMBR-CQSZACIVSA-N 1 3 305.488 0.978 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[NH2+]1 ZINC000627211034 417280329 /nfs/dbraw/zinc/28/03/29/417280329.db2.gz ZTAYODRVSZDJFN-BZPMIXESSA-N 1 3 321.429 0.224 20 0 DCADHO Cn1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414488582 417283228 /nfs/dbraw/zinc/28/32/28/417283228.db2.gz UPLCIDYMYQZQHR-UHFFFAOYSA-N 1 3 306.454 0.911 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621667829 417287138 /nfs/dbraw/zinc/28/71/38/417287138.db2.gz MQIDKYSKYUOODQ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C[NH+](C)C ZINC000569796773 417293578 /nfs/dbraw/zinc/29/35/78/417293578.db2.gz HCJOLVGGOVCIHR-CRAIPNDOSA-N 1 3 319.449 0.937 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CC[C@H]1C(F)(F)F ZINC000627102545 417231530 /nfs/dbraw/zinc/23/15/30/417231530.db2.gz ODWOEXFGFRAYSA-GMTAPVOTSA-N 1 3 324.347 0.144 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000643552855 417242790 /nfs/dbraw/zinc/24/27/90/417242790.db2.gz RQGWOYGEBMNBJD-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000643552780 417243456 /nfs/dbraw/zinc/24/34/56/417243456.db2.gz GVBJDCKFQGARNZ-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000643571248 417247235 /nfs/dbraw/zinc/24/72/35/417247235.db2.gz ZWYBWMVEXAVRIA-LSDHHAIUSA-N 1 3 322.453 0.271 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643594568 417254504 /nfs/dbraw/zinc/25/45/04/417254504.db2.gz RVCAHUSYNPWUFZ-PBHICJAKSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)N(C)C1CC1 ZINC000433382237 417260500 /nfs/dbraw/zinc/26/05/00/417260500.db2.gz CTIPWTGGMUZPOM-DGCLKSJQSA-N 1 3 306.414 0.415 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433375490 417260710 /nfs/dbraw/zinc/26/07/10/417260710.db2.gz LMMDURKVCWUMJB-MCIONIFRSA-N 1 3 318.425 0.511 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433390058 417264209 /nfs/dbraw/zinc/26/42/09/417264209.db2.gz ZDEGEEPVXTXVBE-KGLIPLIRSA-N 1 3 320.441 0.664 20 0 DCADHO COC[C@]1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCCN1 ZINC000638136226 417348643 /nfs/dbraw/zinc/34/86/43/417348643.db2.gz XIAPBDDGCCEGTI-KRWDZBQOSA-N 1 3 318.421 0.889 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000638162184 417358513 /nfs/dbraw/zinc/35/85/13/417358513.db2.gz FASOEDVKCKIMFJ-WMZOPIPTSA-N 1 3 318.465 0.952 20 0 DCADHO CC[NH2+][C@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000638086740 417319778 /nfs/dbraw/zinc/31/97/78/417319778.db2.gz VQYKLYWTOLBADO-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000627300930 417338232 /nfs/dbraw/zinc/33/82/32/417338232.db2.gz PGJWGBROSQADGX-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000415206492 417340300 /nfs/dbraw/zinc/34/03/00/417340300.db2.gz BNBQUTICASEOGL-HNNXBMFYSA-N 1 3 310.446 1.330 20 0 DCADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H](N2CCCC2)C1 ZINC000633080383 417344880 /nfs/dbraw/zinc/34/48/80/417344880.db2.gz DERCJFAYUNFRIF-QLFBSQMISA-N 1 3 320.437 0.036 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638245926 417390680 /nfs/dbraw/zinc/39/06/80/417390680.db2.gz YVRYIYZYZOTBJS-JKSUJKDBSA-N 1 3 316.449 0.704 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638257956 417394330 /nfs/dbraw/zinc/39/43/30/417394330.db2.gz DNZKIFVZFNXQOC-OLZOCXBDSA-N 1 3 314.380 0.544 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000638258715 417395414 /nfs/dbraw/zinc/39/54/14/417395414.db2.gz MLMDSPXNHUIVFZ-XZDPQHSOSA-N 1 3 321.396 0.751 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)CCSC1 ZINC000571184334 417432413 /nfs/dbraw/zinc/43/24/13/417432413.db2.gz QEQLBJVISCMFHF-GXTWGEPZSA-N 1 3 300.472 0.723 20 0 DCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638305242 417414540 /nfs/dbraw/zinc/41/45/40/417414540.db2.gz SJIMHTJLXPICOA-UHOFOFEASA-N 1 3 318.421 0.839 20 0 DCADHO C[C@@H]1C[C@@H](C)N(C(=O)c2cnn(CCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000638356307 417433138 /nfs/dbraw/zinc/43/31/38/417433138.db2.gz GIDZLZCTIUGMMX-MCIONIFRSA-N 1 3 307.442 0.890 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC[NH2+]C12CCC2 ZINC000529352713 417447520 /nfs/dbraw/zinc/44/75/20/417447520.db2.gz SNNLEJJZAZBNON-KBPBESRZSA-N 1 3 310.442 0.417 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529352715 417447808 /nfs/dbraw/zinc/44/78/08/417447808.db2.gz SNNLEJJZAZBNON-UONOGXRCSA-N 1 3 310.442 0.417 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638526222 417480868 /nfs/dbraw/zinc/48/08/68/417480868.db2.gz IAIJMOPGTRDANU-UHFFFAOYSA-N 1 3 318.421 0.916 20 0 DCADHO CN(C)Cc1cccc(NC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000623054592 417531833 /nfs/dbraw/zinc/53/18/33/417531833.db2.gz SFERAXCHRWGGDI-UHFFFAOYSA-N 1 3 305.426 0.775 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](n2cc(CN)nn2)C1)[NH+](CC)CC ZINC000638906541 417581888 /nfs/dbraw/zinc/58/18/88/417581888.db2.gz UYOKYKDKBMEXQC-UONOGXRCSA-N 1 3 308.430 0.631 20 0 DCADHO CN1CCC(n2cc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cn2)CC1 ZINC000638977043 417594968 /nfs/dbraw/zinc/59/49/68/417594968.db2.gz HENICNDDHXKORD-ZIAGYGMSSA-N 1 3 307.398 0.452 20 0 DCADHO Cc1nccn1CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638983202 417597075 /nfs/dbraw/zinc/59/70/75/417597075.db2.gz CDVOKUZOYSMJRA-UHFFFAOYSA-N 1 3 300.366 0.635 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)C1=CCN(C)CC1 ZINC000576353848 417602305 /nfs/dbraw/zinc/60/23/05/417602305.db2.gz JHWYKSSJVUFWJR-ZDUSSCGKSA-N 1 3 322.453 0.340 20 0 DCADHO C[C@@H]1C[C@@H](Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@@H+]1C ZINC000639042497 417609180 /nfs/dbraw/zinc/60/91/80/417609180.db2.gz FVNOMWDGRFVGJT-KGLIPLIRSA-N 1 3 322.457 0.456 20 0 DCADHO C[C@@H]1C[C@@H](Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@H+]1C ZINC000639042497 417609187 /nfs/dbraw/zinc/60/91/87/417609187.db2.gz FVNOMWDGRFVGJT-KGLIPLIRSA-N 1 3 322.457 0.456 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC000575933750 417564827 /nfs/dbraw/zinc/56/48/27/417564827.db2.gz VCEHCEAPHHVZAP-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000644562981 417619546 /nfs/dbraw/zinc/61/95/46/417619546.db2.gz JJWJFQOCFPIRHR-WBVHZDCISA-N 1 3 312.502 0.305 20 0 DCADHO CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644562025 417618532 /nfs/dbraw/zinc/61/85/32/417618532.db2.gz OPMBMQQSEDMCCU-NVXWUHKLSA-N 1 3 313.486 0.921 20 0 DCADHO CC(C)OCCN1CCC([NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000644582041 417623384 /nfs/dbraw/zinc/62/33/84/417623384.db2.gz SQDVEPUUURCQAE-KRWDZBQOSA-N 1 3 313.486 0.921 20 0 DCADHO CC(C)(O)C[NH+]1CCC(N[C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000639147596 417627824 /nfs/dbraw/zinc/62/78/24/417627824.db2.gz NEJZYIOQPFAAKD-GJZGRUSLSA-N 1 3 316.486 0.969 20 0 DCADHO CO[C@]1(C[NH+]2CCC(CN3CCN(C)CC3)CC2)CCOC1 ZINC000639171207 417634233 /nfs/dbraw/zinc/63/42/33/417634233.db2.gz UVUHGBKJASOINW-KRWDZBQOSA-N 1 3 311.470 0.751 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000639217284 417638173 /nfs/dbraw/zinc/63/81/73/417638173.db2.gz DLNCQXJEEFUDNW-MRXNPFEDSA-N 1 3 313.486 0.658 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2CCCCN2CCO)CC1 ZINC000639217284 417638184 /nfs/dbraw/zinc/63/81/84/417638184.db2.gz DLNCQXJEEFUDNW-MRXNPFEDSA-N 1 3 313.486 0.658 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000635551825 417697803 /nfs/dbraw/zinc/69/78/03/417697803.db2.gz OZTPJMNJUGLDFX-BPLDGKMQSA-N 1 3 317.437 0.798 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000635551825 417697809 /nfs/dbraw/zinc/69/78/09/417697809.db2.gz OZTPJMNJUGLDFX-BPLDGKMQSA-N 1 3 317.437 0.798 20 0 DCADHO CN(C)CCn1cc(NC(=O)C2(C[NH+](C)C)CC2)ccc1=O ZINC000635735143 417750581 /nfs/dbraw/zinc/75/05/81/417750581.db2.gz IRENOUCAXOLPOH-UHFFFAOYSA-N 1 3 306.410 0.690 20 0 DCADHO C[NH+](C)[C@H](CC(=O)NCCN1CC[C@@H](O)C1)c1ccccc1 ZINC000629169710 417750989 /nfs/dbraw/zinc/75/09/89/417750989.db2.gz NNWOEFUGCSGAAN-HZPDHXFCSA-N 1 3 305.422 0.862 20 0 DCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645135578 417704797 /nfs/dbraw/zinc/70/47/97/417704797.db2.gz CHSFFHDWTSHDDY-MGPQQGTHSA-N 1 3 322.453 0.091 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645953235 417830631 /nfs/dbraw/zinc/83/06/31/417830631.db2.gz KKUVJWYEYQOGPP-UONOGXRCSA-N 1 3 318.425 0.244 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000636008360 417833378 /nfs/dbraw/zinc/83/33/78/417833378.db2.gz OWAZSYZWZLPNBL-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000636008360 417833382 /nfs/dbraw/zinc/83/33/82/417833382.db2.gz OWAZSYZWZLPNBL-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)N(C)C1 ZINC000635910771 417790703 /nfs/dbraw/zinc/79/07/03/417790703.db2.gz DMVSUEVPNDLKPF-QPSCCSFWSA-N 1 3 311.426 0.027 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)N(C)C1 ZINC000635910771 417790709 /nfs/dbraw/zinc/79/07/09/417790709.db2.gz DMVSUEVPNDLKPF-QPSCCSFWSA-N 1 3 311.426 0.027 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1(C)C ZINC000645803157 417798080 /nfs/dbraw/zinc/79/80/80/417798080.db2.gz BINCDFNOCDNNMP-XJKSGUPXSA-N 1 3 323.441 0.916 20 0 DCADHO COC[C@@]1(CNC(=O)c2cc3c(s2)CCNC3)CCC[NH2+]1 ZINC000662562649 417807513 /nfs/dbraw/zinc/80/75/13/417807513.db2.gz JNMVXMHQOSCITP-HNNXBMFYSA-N 1 3 309.435 0.892 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000640467311 417850228 /nfs/dbraw/zinc/85/02/28/417850228.db2.gz PGDSENOEKFTYHL-AWEZNQCLSA-N 1 3 309.458 0.289 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662684928 417851127 /nfs/dbraw/zinc/85/11/27/417851127.db2.gz LUIGSLDFFGXFLG-STQMWFEESA-N 1 3 305.426 0.900 20 0 DCADHO CCO[C@@H]1CN(C(=O)NC[C@H]2CCCCN2CC)C[C@H]1C[NH3+] ZINC000652149836 417851899 /nfs/dbraw/zinc/85/18/99/417851899.db2.gz CIFOJRWGMAGNBK-RBSFLKMASA-N 1 3 312.458 0.866 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652167530 417856002 /nfs/dbraw/zinc/85/60/02/417856002.db2.gz WOLIBGMPQCBIBU-RJZRQDKASA-N 1 3 310.442 0.474 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652177364 417858127 /nfs/dbraw/zinc/85/81/27/417858127.db2.gz HXNQFYJSRQIREZ-NWANDNLSSA-N 1 3 310.442 0.642 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662698181 417858611 /nfs/dbraw/zinc/85/86/11/417858611.db2.gz IQWMFRJKAURSQK-SHTZXODSSA-N 1 3 318.421 0.332 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662699545 417858736 /nfs/dbraw/zinc/85/87/36/417858736.db2.gz CCFCVNSFWGZKJU-KBPBESRZSA-N 1 3 320.441 0.664 20 0 DCADHO C[C@@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)N(C)C ZINC000652197902 417861125 /nfs/dbraw/zinc/86/11/25/417861125.db2.gz PEANGUROTRHACZ-XQLPTFJDSA-N 1 3 312.458 0.864 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC1=O ZINC000636089140 417867614 /nfs/dbraw/zinc/86/76/14/417867614.db2.gz JXHBMMAXJDTLGV-RDBSUJKOSA-N 1 3 324.469 0.241 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1=O ZINC000636098539 417869624 /nfs/dbraw/zinc/86/96/24/417869624.db2.gz VJQARSDJHVKWNO-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1CCCCN1CCO ZINC000652322634 417883587 /nfs/dbraw/zinc/88/35/87/417883587.db2.gz QDHNISJVTGXDPT-HNNXBMFYSA-N 1 3 312.458 0.522 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1CCCN1CCCO ZINC000652322622 417883997 /nfs/dbraw/zinc/88/39/97/417883997.db2.gz PXCUDZVCHITTGG-HNNXBMFYSA-N 1 3 312.458 0.522 20 0 DCADHO C[C@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCC[NH2+]C1 ZINC000662749496 417886005 /nfs/dbraw/zinc/88/60/05/417886005.db2.gz IVROXUHPKFPTLL-GHMZBOCLSA-N 1 3 307.398 0.283 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCN2C(=O)CCC2=O)C1 ZINC000652361434 417890549 /nfs/dbraw/zinc/89/05/49/417890549.db2.gz HKLRXSQKJAIWBY-HZSPNIEDSA-N 1 3 309.410 0.496 20 0 DCADHO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)NC1CCN(C3CC3)CC1)C2 ZINC000652352416 417891021 /nfs/dbraw/zinc/89/10/21/417891021.db2.gz UMUNBILNJBBUOA-KSSFIOAISA-N 1 3 320.481 0.790 20 0 DCADHO C[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@@H](C)CN1 ZINC000662764808 417896959 /nfs/dbraw/zinc/89/69/59/417896959.db2.gz OYSMMYOQDIOYAR-FRRDWIJNSA-N 1 3 306.414 0.415 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000652424556 417904115 /nfs/dbraw/zinc/90/41/15/417904115.db2.gz WIHSTFHCMIMWOX-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000636240030 417905620 /nfs/dbraw/zinc/90/56/20/417905620.db2.gz UBKAYQJSYPTNJS-HNNXBMFYSA-N 1 3 315.458 0.428 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000636240030 417905625 /nfs/dbraw/zinc/90/56/25/417905625.db2.gz UBKAYQJSYPTNJS-HNNXBMFYSA-N 1 3 315.458 0.428 20 0 DCADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000662660142 417840308 /nfs/dbraw/zinc/84/03/08/417840308.db2.gz YHKRGQZDFQZYDP-MRXNPFEDSA-N 1 3 305.422 0.737 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])Cc1ccccc1 ZINC000662662539 417840458 /nfs/dbraw/zinc/84/04/58/417840458.db2.gz GJJQQWMUOIARFV-ARFHVFGLSA-N 1 3 305.422 0.639 20 0 DCADHO [NH3+]CCOCC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000646391083 417842946 /nfs/dbraw/zinc/84/29/46/417842946.db2.gz MVDMYKHTLPFFJC-JKSUJKDBSA-N 1 3 303.406 0.695 20 0 DCADHO C[NH2+]CCCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858366 417929048 /nfs/dbraw/zinc/92/90/48/417929048.db2.gz GPMTVMJCSLSIGN-MRXNPFEDSA-N 1 3 305.422 0.869 20 0 DCADHO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662859424 417929457 /nfs/dbraw/zinc/92/94/57/417929457.db2.gz MJRMNUPLRUBPPJ-HZPDHXFCSA-N 1 3 305.422 0.867 20 0 DCADHO COC[C@]1(CNC(=O)Nc2cnn(CCN(C)C)c2)CCC[NH2+]1 ZINC000652612100 417931953 /nfs/dbraw/zinc/93/19/53/417931953.db2.gz IEUJIHFLFQFRLL-OAHLLOKOSA-N 1 3 324.429 0.335 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000658115689 417940120 /nfs/dbraw/zinc/94/01/20/417940120.db2.gz XPVDDKCTEMVPKB-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@H+](CCCNC(=O)C(=O)N[C@H](C)CN)C1CCCCC1 ZINC000652701130 417949358 /nfs/dbraw/zinc/94/93/58/417949358.db2.gz ZTBQQHKJCDHCJK-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C)CN)C1CCCCC1 ZINC000652701130 417949363 /nfs/dbraw/zinc/94/93/63/417949363.db2.gz ZTBQQHKJCDHCJK-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000640955539 417950121 /nfs/dbraw/zinc/95/01/21/417950121.db2.gz WDDOLZIYAMSTDB-OWCLPIDISA-N 1 3 323.485 0.406 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000662964465 417965461 /nfs/dbraw/zinc/96/54/61/417965461.db2.gz BOMINALSOLJAPH-HNNXBMFYSA-N 1 3 304.438 0.923 20 0 DCADHO CC1CCC(N2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)CC1 ZINC000653120509 418031008 /nfs/dbraw/zinc/03/10/08/418031008.db2.gz RRCDXTSCUPBYNH-GPANFISMSA-N 1 3 310.486 0.988 20 0 DCADHO CN(C)C1(CNC(=O)[C@H](N)CC[NH+](C)C)Cc2ccccc2C1 ZINC000653121511 418031747 /nfs/dbraw/zinc/03/17/47/418031747.db2.gz XDQJHDQJROQFAF-MRXNPFEDSA-N 1 3 318.465 0.481 20 0 DCADHO CC(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC000658956841 418042003 /nfs/dbraw/zinc/04/20/03/418042003.db2.gz ATQUYJCCMHBSGW-AAEUAGOBSA-N 1 3 302.440 0.658 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000653214486 418044261 /nfs/dbraw/zinc/04/42/61/418044261.db2.gz XHWCHLBEWHVSSR-HNNXBMFYSA-N 1 3 306.410 0.122 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659513610 418109466 /nfs/dbraw/zinc/10/94/66/418109466.db2.gz WYWHLGMGYIVSEZ-OAHLLOKOSA-N 1 3 312.458 0.927 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659521002 418111018 /nfs/dbraw/zinc/11/10/18/418111018.db2.gz BFLGMXAOXWENRP-CABCVRRESA-N 1 3 312.458 0.912 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659526314 418111667 /nfs/dbraw/zinc/11/16/67/418111667.db2.gz NPWQRPGTSRMJJR-CZUORRHYSA-N 1 3 320.437 0.647 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659534556 418112482 /nfs/dbraw/zinc/11/24/82/418112482.db2.gz DPDDEZFKYIUVCP-BPLDGKMQSA-N 1 3 310.442 0.537 20 0 DCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659551317 418116659 /nfs/dbraw/zinc/11/66/59/418116659.db2.gz AIJDBHRQLLTUEP-YUELXQCFSA-N 1 3 310.442 0.666 20 0 DCADHO N[C@H]1CCCCN(CC(=O)NC[C@H]([NH3+])c2ccccc2)C1=O ZINC000647767334 418051732 /nfs/dbraw/zinc/05/17/32/418051732.db2.gz DJQOIZOTFSRBMJ-KBPBESRZSA-N 1 3 304.394 0.142 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000647777304 418054496 /nfs/dbraw/zinc/05/44/96/418054496.db2.gz KAEHKBSUFIFDSK-HNNXBMFYSA-N 1 3 308.401 0.232 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H](CN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815108 418057061 /nfs/dbraw/zinc/05/70/61/418057061.db2.gz PGWWLKKXSAYAQP-CYBMUJFWSA-N 1 3 315.483 0.874 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000659104306 418061301 /nfs/dbraw/zinc/06/13/01/418061301.db2.gz ZRJFMKLANPUGMD-AWEZNQCLSA-N 1 3 318.421 0.993 20 0 DCADHO C[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N(C)C1CC1 ZINC000663998554 418073176 /nfs/dbraw/zinc/07/31/76/418073176.db2.gz MWNLOGGOHFGEKV-XJKSGUPXSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N(C)C1CC1 ZINC000663998554 418073180 /nfs/dbraw/zinc/07/31/80/418073180.db2.gz MWNLOGGOHFGEKV-XJKSGUPXSA-N 1 3 324.469 0.710 20 0 DCADHO CN1CCN(C(=O)CCN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647904246 418073672 /nfs/dbraw/zinc/07/36/72/418073672.db2.gz ZPMBNYMBMHAVMY-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664131121 418088910 /nfs/dbraw/zinc/08/89/10/418088910.db2.gz YAHRZDCYYPLATJ-CZUORRHYSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664131121 418088912 /nfs/dbraw/zinc/08/89/12/418088912.db2.gz YAHRZDCYYPLATJ-CZUORRHYSA-N 1 3 322.453 0.464 20 0 DCADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCC1 ZINC000659438961 418098176 /nfs/dbraw/zinc/09/81/76/418098176.db2.gz QKSJDAHJPZISBX-NSHDSACASA-N 1 3 322.413 0.172 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493679 418105229 /nfs/dbraw/zinc/10/52/29/418105229.db2.gz ATKSKFYMDYZARW-LBPRGKRZSA-N 1 3 322.413 0.315 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493679 418105231 /nfs/dbraw/zinc/10/52/31/418105231.db2.gz ATKSKFYMDYZARW-LBPRGKRZSA-N 1 3 322.413 0.315 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCCO1 ZINC000659487015 418105251 /nfs/dbraw/zinc/10/52/51/418105251.db2.gz MXRKQDUAWGTGCM-BFHYXJOUSA-N 1 3 316.421 0.568 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCCO1 ZINC000659487015 418105253 /nfs/dbraw/zinc/10/52/53/418105253.db2.gz MXRKQDUAWGTGCM-BFHYXJOUSA-N 1 3 316.421 0.568 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659608142 418125599 /nfs/dbraw/zinc/12/55/99/418125599.db2.gz LETWNDJVMSSXKZ-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO CC1(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659609137 418125987 /nfs/dbraw/zinc/12/59/87/418125987.db2.gz SXFAFXTYLJJJJP-CQSZACIVSA-N 1 3 310.442 0.681 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615898 418128719 /nfs/dbraw/zinc/12/87/19/418128719.db2.gz BYQSJOADUOMUDM-UHFFFAOYSA-N 1 3 317.437 0.907 20 0 DCADHO CC(C)[NH+](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)C ZINC000654347639 418134854 /nfs/dbraw/zinc/13/48/54/418134854.db2.gz HZJSFIAJGGIHDW-LSDHHAIUSA-N 1 3 312.458 0.566 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000659758247 418178795 /nfs/dbraw/zinc/17/87/95/418178795.db2.gz ZXOGOSRFYSTJKR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659686173 418146795 /nfs/dbraw/zinc/14/67/95/418146795.db2.gz WMWDIOSJUKDFID-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC[C@H]1C ZINC000664758189 418150587 /nfs/dbraw/zinc/15/05/87/418150587.db2.gz NCIRNORZZPBDHF-ILXRZTDVSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC[C@H]1C ZINC000664758189 418150591 /nfs/dbraw/zinc/15/05/91/418150591.db2.gz NCIRNORZZPBDHF-ILXRZTDVSA-N 1 3 314.474 0.983 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000659696563 418150813 /nfs/dbraw/zinc/15/08/13/418150813.db2.gz CQCZRHLCKHDSDL-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659699844 418151924 /nfs/dbraw/zinc/15/19/24/418151924.db2.gz VTQIRQFLFHCJFX-UHFFFAOYSA-N 1 3 322.453 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659701891 418152539 /nfs/dbraw/zinc/15/25/39/418152539.db2.gz JKZSXOSQTGXKFR-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659713775 418158489 /nfs/dbraw/zinc/15/84/89/418158489.db2.gz QLOJQDLVXOZUKJ-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654736575 418182215 /nfs/dbraw/zinc/18/22/15/418182215.db2.gz BSKJJOJFHJOHRM-ZJIFWQFVSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654736575 418182219 /nfs/dbraw/zinc/18/22/19/418182219.db2.gz BSKJJOJFHJOHRM-ZJIFWQFVSA-N 1 3 322.453 0.464 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734690 418168121 /nfs/dbraw/zinc/16/81/21/418168121.db2.gz OLFTWVAVKUQICO-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000659738199 418170892 /nfs/dbraw/zinc/17/08/92/418170892.db2.gz BJWLJBXWCFCCKU-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000659738616 418171169 /nfs/dbraw/zinc/17/11/69/418171169.db2.gz GXIVUOSPLWQYCQ-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000659741837 418173563 /nfs/dbraw/zinc/17/35/63/418173563.db2.gz PKDQBMLDSUGTAK-KFWWJZLASA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000659745104 418174200 /nfs/dbraw/zinc/17/42/00/418174200.db2.gz WHRMWTQWYXPISR-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000659745062 418174380 /nfs/dbraw/zinc/17/43/80/418174380.db2.gz VIYDHLBFRBRNGX-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000649365984 418248573 /nfs/dbraw/zinc/24/85/73/418248573.db2.gz CWQVALRFNMNNRU-IRXDYDNUSA-N 1 3 322.497 0.862 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000649070814 418191188 /nfs/dbraw/zinc/19/11/88/418191188.db2.gz VYEGIQANGNAJIS-MJBXVCDLSA-N 1 3 310.442 0.295 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000649070814 418191190 /nfs/dbraw/zinc/19/11/90/418191190.db2.gz VYEGIQANGNAJIS-MJBXVCDLSA-N 1 3 310.442 0.295 20 0 DCADHO CO[C@@H](C[NH+]1CCC(N(C)CCCO)CC1)[C@H]1CCOC1 ZINC000659932001 418203100 /nfs/dbraw/zinc/20/31/00/418203100.db2.gz XEBMHBJJMSIOBK-HOCLYGCPSA-N 1 3 300.443 0.817 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000654980335 418210100 /nfs/dbraw/zinc/21/01/00/418210100.db2.gz JLVBETNPXUCJCL-INIZCTEOSA-N 1 3 324.469 0.759 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)Nc2cccc(C[NH3+])c2)CC1=O ZINC000649268566 418217130 /nfs/dbraw/zinc/21/71/30/418217130.db2.gz SOQSXNJYVPDNSZ-ZDUSSCGKSA-N 1 3 304.394 0.494 20 0 DCADHO CC(C)C[C@H](CNC(=O)CN1CCCC[C@@H](N)C1=O)[NH+](C)C ZINC000649285169 418222074 /nfs/dbraw/zinc/22/20/74/418222074.db2.gz PHTSMYNPDGGYDL-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000655671409 418287282 /nfs/dbraw/zinc/28/72/82/418287282.db2.gz OFKQKBSVOKOCCD-RRFJBIMHSA-N 1 3 312.458 0.473 20 0 DCADHO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000655671409 418287284 /nfs/dbraw/zinc/28/72/84/418287284.db2.gz OFKQKBSVOKOCCD-RRFJBIMHSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H](CN1CCN(C)CC1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655712430 418289829 /nfs/dbraw/zinc/28/98/29/418289829.db2.gz NGBLRDKDSVSBOQ-AEFFLSMTSA-N 1 3 324.513 0.855 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660844554 418293633 /nfs/dbraw/zinc/29/36/33/418293633.db2.gz PEONDEDWRZEOMO-UKRRQHHQSA-N 1 3 312.458 0.879 20 0 DCADHO C[N@H+](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC000660839036 418293649 /nfs/dbraw/zinc/29/36/49/418293649.db2.gz LNUOEQDWNOBZCS-HNNXBMFYSA-N 1 3 310.442 0.633 20 0 DCADHO C[N@@H+](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC000660839036 418293652 /nfs/dbraw/zinc/29/36/52/418293652.db2.gz LNUOEQDWNOBZCS-HNNXBMFYSA-N 1 3 310.442 0.633 20 0 DCADHO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655908039 418299326 /nfs/dbraw/zinc/29/93/26/418299326.db2.gz REOAQAAFYYJPNT-UONOGXRCSA-N 1 3 316.405 0.615 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCSC1 ZINC000655919591 418301044 /nfs/dbraw/zinc/30/10/44/418301044.db2.gz HXRZTTNCCNHHGZ-WPRPVWTQSA-N 1 3 314.377 0.613 20 0 DCADHO O=C(NCC[NH2+]C1CCCCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655963283 418307764 /nfs/dbraw/zinc/30/77/64/418307764.db2.gz NLLMVZSKAIGWGJ-JKSUJKDBSA-N 1 3 324.469 0.759 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656020404 418317684 /nfs/dbraw/zinc/31/76/84/418317684.db2.gz RKFBBYLDBHDHHK-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000656024586 418319293 /nfs/dbraw/zinc/31/92/93/418319293.db2.gz NBMWSERIQQOBNH-KFWWJZLASA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[C@@H]1[NH3+] ZINC000656028161 418321406 /nfs/dbraw/zinc/32/14/06/418321406.db2.gz IGRXRHCWOWXYPA-LXTVHRRPSA-N 1 3 322.453 0.315 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000655576421 418277760 /nfs/dbraw/zinc/27/77/60/418277760.db2.gz NRHXPUGETIWVCR-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000655576421 418277763 /nfs/dbraw/zinc/27/77/63/418277763.db2.gz NRHXPUGETIWVCR-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO CCC(C)(C)[NH+]1CCN(C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000656193542 418335235 /nfs/dbraw/zinc/33/52/35/418335235.db2.gz MFCFYKYKAXZIRE-HNNXBMFYSA-N 1 3 310.486 0.990 20 0 DCADHO CN(CCN1CCCCC1)C(=O)NCCOCC[NH+](C)C ZINC000651053160 418342071 /nfs/dbraw/zinc/34/20/71/418342071.db2.gz FWDYBHIARSEREF-UHFFFAOYSA-N 1 3 300.447 0.692 20 0 DCADHO C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000662260748 418394189 /nfs/dbraw/zinc/39/41/89/418394189.db2.gz BVPPCISXKKPAQN-HOTGVXAUSA-N 1 3 309.454 0.694 20 0 DCADHO C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000662260748 418394190 /nfs/dbraw/zinc/39/41/90/418394190.db2.gz BVPPCISXKKPAQN-HOTGVXAUSA-N 1 3 309.454 0.694 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662407088 418407657 /nfs/dbraw/zinc/40/76/57/418407657.db2.gz RMNQALKFHITDJY-FRRDWIJNSA-N 1 3 308.430 0.333 20 0 DCADHO Cc1ccc([C@H](CNC(=O)c2cn(CC[NH3+])nn2)N(C)C)cc1 ZINC000662418539 418408767 /nfs/dbraw/zinc/40/87/67/418408767.db2.gz VIEAITZGWWBSTE-HNNXBMFYSA-N 1 3 316.409 0.578 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662450753 418410637 /nfs/dbraw/zinc/41/06/37/418410637.db2.gz DYLVDTCLYVCTJG-QWHCGFSZSA-N 1 3 303.410 0.701 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662497100 418412817 /nfs/dbraw/zinc/41/28/17/418412817.db2.gz DDNKKFZHTUADQD-JTNHKYCSSA-N 1 3 303.410 0.699 20 0 DCADHO CC1CCN(CCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662388327 418405955 /nfs/dbraw/zinc/40/59/55/418405955.db2.gz PLPMMNDAUITYNG-ZDUSSCGKSA-N 1 3 305.426 0.948 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)NCCOCC[NH+](C)C ZINC000471643644 287518339 /nfs/dbraw/zinc/51/83/39/287518339.db2.gz JSSKKOIYMSMPRS-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000236839987 261155874 /nfs/dbraw/zinc/15/58/74/261155874.db2.gz OQLKVTWRVXTUJM-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354673944 261255997 /nfs/dbraw/zinc/25/59/97/261255997.db2.gz FXDXRGNOKXOJPP-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000355297870 261327775 /nfs/dbraw/zinc/32/77/75/261327775.db2.gz LFQUWDZFCSTOEG-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000356142378 261395754 /nfs/dbraw/zinc/39/57/54/261395754.db2.gz UJWJLSKKFFBSRV-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000356142378 261395755 /nfs/dbraw/zinc/39/57/55/261395755.db2.gz UJWJLSKKFFBSRV-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000362765501 262070188 /nfs/dbraw/zinc/07/01/88/262070188.db2.gz KNQVHDLRUBHKCJ-RDJZCZTQSA-N 1 3 322.497 0.670 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000362765501 262070190 /nfs/dbraw/zinc/07/01/90/262070190.db2.gz KNQVHDLRUBHKCJ-RDJZCZTQSA-N 1 3 322.497 0.670 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CC1 ZINC000362971327 262090762 /nfs/dbraw/zinc/09/07/62/262090762.db2.gz SJPMSYQSBIMHMM-GJZGRUSLSA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CC1 ZINC000362971327 262090763 /nfs/dbraw/zinc/09/07/63/262090763.db2.gz SJPMSYQSBIMHMM-GJZGRUSLSA-N 1 3 310.442 0.633 20 0 DCADHO CC[NH+]1CCC(NC(=O)CNC2(CC(=O)OC)CCC2)CC1 ZINC000411480470 262172615 /nfs/dbraw/zinc/17/26/15/262172615.db2.gz OKCBRHFZRGICMV-UHFFFAOYSA-N 1 3 311.426 0.662 20 0 DCADHO CN(C)[C@H](CNC(=O)N(CC[NH3+])CCO)Cc1ccccc1 ZINC000416859145 262241546 /nfs/dbraw/zinc/24/15/46/262241546.db2.gz ZNFMOJQWPXACAA-HNNXBMFYSA-N 1 3 308.426 0.122 20 0 DCADHO CC(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)N1CCN(C)CC1 ZINC000416963581 262242500 /nfs/dbraw/zinc/24/25/00/262242500.db2.gz VGYLTELNMSXSEL-HUUCEWRRSA-N 1 3 311.474 0.295 20 0 DCADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417043766 262244405 /nfs/dbraw/zinc/24/44/05/262244405.db2.gz XUBGKXDJEWORIE-FVQHAEBGSA-N 1 3 314.433 0.952 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000417050395 262244431 /nfs/dbraw/zinc/24/44/31/262244431.db2.gz WXIOJLPUGJLRLX-GJZGRUSLSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000417050395 262244432 /nfs/dbraw/zinc/24/44/32/262244432.db2.gz WXIOJLPUGJLRLX-GJZGRUSLSA-N 1 3 312.458 0.929 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417302539 262250245 /nfs/dbraw/zinc/25/02/45/262250245.db2.gz WVBZDMHMROWIEI-KBPBESRZSA-N 1 3 312.458 0.866 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417584982 262256079 /nfs/dbraw/zinc/25/60/79/262256079.db2.gz NYUATVATDHMOHO-OAHLLOKOSA-N 1 3 311.474 0.455 20 0 DCADHO [NH3+]CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622924 262256920 /nfs/dbraw/zinc/25/69/20/262256920.db2.gz IBGQDYPAAWHHNR-UHFFFAOYSA-N 1 3 300.472 0.996 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCSC1 ZINC000417823053 262262563 /nfs/dbraw/zinc/26/25/63/262262563.db2.gz JGFDUQLJJAQSAW-DYEKYZERSA-N 1 3 300.472 0.850 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000417822510 262262757 /nfs/dbraw/zinc/26/27/57/262262757.db2.gz IQDGQJNRARMQOF-GXTWGEPZSA-N 1 3 300.472 0.817 20 0 DCADHO COCC1(CNC(=O)NCC2(N(C)C)CCC2)CC[NH2+]CC1 ZINC000418062297 262269025 /nfs/dbraw/zinc/26/90/25/262269025.db2.gz QHOFABWIMJVSHH-UHFFFAOYSA-N 1 3 312.458 0.786 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418073113 262269354 /nfs/dbraw/zinc/26/93/54/262269354.db2.gz WIXDICVIXUWFAM-HUUCEWRRSA-N 1 3 312.458 0.596 20 0 DCADHO C[NH2+]CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418315383 262274314 /nfs/dbraw/zinc/27/43/14/262274314.db2.gz HFWVFVMJRHXVGC-INIZCTEOSA-N 1 3 306.410 0.142 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418323378 262274911 /nfs/dbraw/zinc/27/49/11/262274911.db2.gz UTCAWBTURPRJDK-HUUCEWRRSA-N 1 3 312.458 0.378 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418409933 262276539 /nfs/dbraw/zinc/27/65/39/262276539.db2.gz ODOVHJCUBBUKFO-KKUMJFAQSA-N 1 3 312.458 0.650 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418543676 262282316 /nfs/dbraw/zinc/28/23/16/262282316.db2.gz PEOORIKBNMBUMH-HNNXBMFYSA-N 1 3 300.447 0.596 20 0 DCADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1CCCC1 ZINC000418607203 262283943 /nfs/dbraw/zinc/28/39/43/262283943.db2.gz AMPPPPOGLUAXTL-CABCVRRESA-N 1 3 312.458 0.650 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418599753 262283945 /nfs/dbraw/zinc/28/39/45/262283945.db2.gz JVSDYDKVSJSYDE-SOUVJXGZSA-N 1 3 312.458 0.519 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418648954 262285116 /nfs/dbraw/zinc/28/51/16/262285116.db2.gz IJEMYRKOVJXXPZ-DZGCQCFKSA-N 1 3 306.410 0.618 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418762523 262287956 /nfs/dbraw/zinc/28/79/56/262287956.db2.gz IWQJHLBCUXTKMK-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000418870098 262294122 /nfs/dbraw/zinc/29/41/22/262294122.db2.gz SXZLWPRHCMNWPQ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418922620 262298782 /nfs/dbraw/zinc/29/87/82/262298782.db2.gz DQNZZZOMRFTMOM-ZQDZILKHSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418930589 262299771 /nfs/dbraw/zinc/29/97/71/262299771.db2.gz FTRVNBBVXULCFI-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418972587 262301145 /nfs/dbraw/zinc/30/11/45/262301145.db2.gz ZCAHUFTWKGOOOV-ZFWWWQNUSA-N 1 3 318.421 0.101 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419007492 262303815 /nfs/dbraw/zinc/30/38/15/262303815.db2.gz XWCRHQOVSPAGAW-OAHLLOKOSA-N 1 3 320.437 0.464 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419016834 262304743 /nfs/dbraw/zinc/30/47/43/262304743.db2.gz AAFSFMMAWALUSB-COMQUAJESA-N 1 3 324.469 0.323 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419072186 262306122 /nfs/dbraw/zinc/30/61/22/262306122.db2.gz AZZLUMQRMHNEJL-UONOGXRCSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000419073866 262306842 /nfs/dbraw/zinc/30/68/42/262306842.db2.gz CXUWUHJZIRGCBP-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419085001 262307683 /nfs/dbraw/zinc/30/76/83/262307683.db2.gz ZFOFZVPOEUVATF-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419082256 262307844 /nfs/dbraw/zinc/30/78/44/262307844.db2.gz UJTJLNWVGWLNGN-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)C1CC1 ZINC000419082871 262307909 /nfs/dbraw/zinc/30/79/09/262307909.db2.gz BCEWEKVTWNCXHS-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419096868 262309002 /nfs/dbraw/zinc/30/90/02/262309002.db2.gz DENURNAFEWGUHO-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419097192 262309391 /nfs/dbraw/zinc/30/93/91/262309391.db2.gz DKZVORKDDXEDTB-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419126382 262311152 /nfs/dbraw/zinc/31/11/52/262311152.db2.gz WHCQTZGAQMUJTA-YOEHRIQHSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419172013 262316381 /nfs/dbraw/zinc/31/63/81/262316381.db2.gz QGOZWQZKDYUULT-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)C1CC1 ZINC000419231156 262321166 /nfs/dbraw/zinc/32/11/66/262321166.db2.gz REMAGZKKLWRECD-HUUCEWRRSA-N 1 3 322.453 0.221 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)C1CC1 ZINC000419233873 262321941 /nfs/dbraw/zinc/32/19/41/262321941.db2.gz WTUKYGXONNZXOR-HUUCEWRRSA-N 1 3 322.453 0.221 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419376489 262328756 /nfs/dbraw/zinc/32/87/56/262328756.db2.gz TWLHOEJHAGNZJP-HUUCEWRRSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000419408502 262331279 /nfs/dbraw/zinc/33/12/79/262331279.db2.gz LXTCWDRUUAIKCL-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419484019 262334416 /nfs/dbraw/zinc/33/44/16/262334416.db2.gz SJMUXESATPSDSP-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419484019 262334418 /nfs/dbraw/zinc/33/44/18/262334418.db2.gz SJMUXESATPSDSP-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419484020 262334681 /nfs/dbraw/zinc/33/46/81/262334681.db2.gz SJMUXESATPSDSP-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419484020 262334683 /nfs/dbraw/zinc/33/46/83/262334683.db2.gz SJMUXESATPSDSP-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419595803 262339379 /nfs/dbraw/zinc/33/93/79/262339379.db2.gz XFVJVVODUQTBGD-CZUORRHYSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419593625 262339651 /nfs/dbraw/zinc/33/96/51/262339651.db2.gz SYFKIGJEPCRXDW-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419648480 262344362 /nfs/dbraw/zinc/34/43/62/262344362.db2.gz SJCXQGSMFBGINP-OAHLLOKOSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419843321 262348840 /nfs/dbraw/zinc/34/88/40/262348840.db2.gz MNFNHVWSZRMSPY-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CC1(N(C)C)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000419873646 262350715 /nfs/dbraw/zinc/35/07/15/262350715.db2.gz DIOYEKQHMIVWSG-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419911862 262352524 /nfs/dbraw/zinc/35/25/24/262352524.db2.gz FYWQZEVEFBTGMQ-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CCNc1nc(NC[C@@H]2C[NH2+]CCCO2)nc(NC(C)(C)C)n1 ZINC000420262601 262367997 /nfs/dbraw/zinc/36/79/97/262367997.db2.gz AVWCRYXDFKBGQJ-NSHDSACASA-N 1 3 323.445 0.148 20 0 DCADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)NC(=O)NCC(F)(F)F ZINC000420353822 262370676 /nfs/dbraw/zinc/37/06/76/262370676.db2.gz CCRQCTSAQYASPM-VIFPVBQESA-N 1 3 324.347 0.742 20 0 DCADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)NC(=O)NCC(F)(F)F ZINC000420353822 262370677 /nfs/dbraw/zinc/37/06/77/262370677.db2.gz CCRQCTSAQYASPM-VIFPVBQESA-N 1 3 324.347 0.742 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000420925480 262385371 /nfs/dbraw/zinc/38/53/71/262385371.db2.gz YLQVCXOVORYYCY-CQSZACIVSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423364644 262440244 /nfs/dbraw/zinc/44/02/44/262440244.db2.gz OWPOOGWIQNWGSG-HZSPNIEDSA-N 1 3 322.457 0.723 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423516365 262448098 /nfs/dbraw/zinc/44/80/98/262448098.db2.gz TWWAAZMLNPZQGM-AWEZNQCLSA-N 1 3 312.458 0.372 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CCO1 ZINC000423768083 262461262 /nfs/dbraw/zinc/46/12/62/262461262.db2.gz ZTQFPHJVVDOSIH-QGZVFWFLSA-N 1 3 317.433 0.777 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCOCCN(C)C ZINC000355351863 271006159 /nfs/dbraw/zinc/00/61/59/271006159.db2.gz PLMHDLFSLYCPGJ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCOCCN(C)C ZINC000355351863 271006162 /nfs/dbraw/zinc/00/61/62/271006162.db2.gz PLMHDLFSLYCPGJ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418621311 271249136 /nfs/dbraw/zinc/24/91/36/271249136.db2.gz RYCWJMBBAMBCEY-WMLDXEAASA-N 1 3 320.437 0.612 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419401868 271288622 /nfs/dbraw/zinc/28/86/22/271288622.db2.gz BGNKAGWKYFEYJA-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419403012 271288644 /nfs/dbraw/zinc/28/86/44/271288644.db2.gz CYGWZCLGINLOSI-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419432236 271289688 /nfs/dbraw/zinc/28/96/88/271289688.db2.gz YBGUIKZYXVGEGT-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419529961 271297941 /nfs/dbraw/zinc/29/79/41/271297941.db2.gz YIQDQGMWTHJVNV-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N1CCCC[C@H]1CN)[NH+]1CCCCC1 ZINC000419706602 271323258 /nfs/dbraw/zinc/32/32/58/271323258.db2.gz CSOXDOAZCSJODS-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419858368 271333277 /nfs/dbraw/zinc/33/32/77/271333277.db2.gz LPNBVRJNAIHZDA-ILXRZTDVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419888629 271338236 /nfs/dbraw/zinc/33/82/36/271338236.db2.gz RIGHDKHIGMMZEB-ZDUSSCGKSA-N 1 3 324.450 0.116 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000419893589 271338317 /nfs/dbraw/zinc/33/83/17/271338317.db2.gz MMGYLODMYJZUEP-RDBSUJKOSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000419888045 271338360 /nfs/dbraw/zinc/33/83/60/271338360.db2.gz FOCFXOIPYYXXIJ-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419888628 271338472 /nfs/dbraw/zinc/33/84/72/271338472.db2.gz RIGHDKHIGMMZEB-CYBMUJFWSA-N 1 3 324.450 0.116 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000419902408 271342236 /nfs/dbraw/zinc/34/22/36/271342236.db2.gz UKPGTWNSSRLGIA-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420015035 271351136 /nfs/dbraw/zinc/35/11/36/271351136.db2.gz KUARVXGYOTWWPB-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000420014111 271351246 /nfs/dbraw/zinc/35/12/46/271351246.db2.gz NCIAUDHESWLUDE-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422849927 271389319 /nfs/dbraw/zinc/38/93/19/271389319.db2.gz VGNLFOMRKUIQOW-LSDHHAIUSA-N 1 3 319.453 0.836 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000459928750 272020736 /nfs/dbraw/zinc/02/07/36/272020736.db2.gz YSSVJKKKJFXZNJ-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000489992592 272068178 /nfs/dbraw/zinc/06/81/78/272068178.db2.gz KIDZJIVQFRJEQB-APIJFGDWSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000489992592 272068181 /nfs/dbraw/zinc/06/81/81/272068181.db2.gz KIDZJIVQFRJEQB-APIJFGDWSA-N 1 3 312.458 0.566 20 0 DCADHO COCCc1noc(CC2CCN(CCOCC[NH3+])CC2)n1 ZINC000530231312 272732355 /nfs/dbraw/zinc/73/23/55/272732355.db2.gz OGSJLEZIGAVHOS-UHFFFAOYSA-N 1 3 312.414 0.488 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000341996961 276155849 /nfs/dbraw/zinc/15/58/49/276155849.db2.gz DROVPSSPZNIFRJ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262066660 277903945 /nfs/dbraw/zinc/90/39/45/277903945.db2.gz FNHPLPDVEFEPSU-HIFRSBDPSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C ZINC000348020030 278018051 /nfs/dbraw/zinc/01/80/51/278018051.db2.gz QJKIKDAPUPSBPE-LXTVHRRPSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000546027299 288013252 /nfs/dbraw/zinc/01/32/52/288013252.db2.gz BJQPQRICTLUBDF-LSDHHAIUSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000546027299 288013253 /nfs/dbraw/zinc/01/32/53/288013253.db2.gz BJQPQRICTLUBDF-LSDHHAIUSA-N 1 3 311.474 0.406 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000546590538 288019908 /nfs/dbraw/zinc/01/99/08/288019908.db2.gz ILJLICVNXALQLX-INIZCTEOSA-N 1 3 312.458 0.617 20 0 DCADHO CCc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)nn1 ZINC000546861809 288033063 /nfs/dbraw/zinc/03/30/63/288033063.db2.gz NSQSMFUQNVYDHB-UHFFFAOYSA-N 1 3 307.442 0.913 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000303981266 279258172 /nfs/dbraw/zinc/25/81/72/279258172.db2.gz FRIHKSINVKCURI-ZOBUZTSGSA-N 1 3 313.486 0.873 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364041565 279306231 /nfs/dbraw/zinc/30/62/31/279306231.db2.gz XSYWJCMBHQXGRZ-RBSFLKMASA-N 1 3 309.458 0.448 20 0 DCADHO CC(C)N1CCN([C@H]2CC[N@H+](CCN3CCO[C@@H](C)C3)C2)CC1 ZINC000548776838 288175674 /nfs/dbraw/zinc/17/56/74/288175674.db2.gz KNZGZTHAVVFXDE-ROUUACIJSA-N 1 3 324.513 0.807 20 0 DCADHO CC(C)N1CCN([C@H]2CC[N@@H+](CCN3CCO[C@@H](C)C3)C2)CC1 ZINC000548776838 288175677 /nfs/dbraw/zinc/17/56/77/288175677.db2.gz KNZGZTHAVVFXDE-ROUUACIJSA-N 1 3 324.513 0.807 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nnc2ccccc2n1 ZINC000555046185 288343145 /nfs/dbraw/zinc/34/31/45/288343145.db2.gz BPJGXMUVULIEEL-UHFFFAOYSA-N 1 3 316.409 0.590 20 0 DCADHO CO[C@@H](CN)C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000563110263 288631925 /nfs/dbraw/zinc/63/19/25/288631925.db2.gz OFOHQEGYAWYMMV-RYUDHWBXSA-N 1 3 312.439 0.363 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000563626576 288693340 /nfs/dbraw/zinc/69/33/40/288693340.db2.gz RMFXUMWUQNQWSR-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO O=C([C@@H]1CNCc2ccccc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000564932731 288791403 /nfs/dbraw/zinc/79/14/03/288791403.db2.gz CUCIXSYKCIDNOK-DOTOQJQBSA-N 1 3 314.433 0.380 20 0 DCADHO NC[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564935202 288792077 /nfs/dbraw/zinc/79/20/77/288792077.db2.gz QRCVIEVDRVJIEV-GOEBONIOSA-N 1 3 318.421 0.633 20 0 DCADHO CCCNC(=O)CN1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000565416060 288850541 /nfs/dbraw/zinc/85/05/41/288850541.db2.gz OBJQXJMEDOYHSR-GDBMZVCRSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCCN1C ZINC000343739475 289055267 /nfs/dbraw/zinc/05/52/67/289055267.db2.gz DNUJMSIPHKZPJI-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000237162378 289159843 /nfs/dbraw/zinc/15/98/43/289159843.db2.gz CGLKKDGYPGPSAD-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CCO1 ZINC000262707485 289217193 /nfs/dbraw/zinc/21/71/93/289217193.db2.gz DOPKSFHZMCNFGE-KGLIPLIRSA-N 1 3 321.425 0.210 20 0 DCADHO Cn1cc(N2CC[C@H](N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2=O)cn1 ZINC000420328761 294253512 /nfs/dbraw/zinc/25/35/12/294253512.db2.gz MYPTXJGQNXCKJT-LZWOXQAQSA-N 1 3 317.437 0.847 20 0 DCADHO C[C@H]1C[N@H+](CCN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000343921950 300260062 /nfs/dbraw/zinc/26/00/62/300260062.db2.gz JMSMFLAIQMNUPA-DLBZAZTESA-N 1 3 310.486 0.276 20 0 DCADHO C[C@H]1C[N@@H+](CCN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000343921950 300260065 /nfs/dbraw/zinc/26/00/65/300260065.db2.gz JMSMFLAIQMNUPA-DLBZAZTESA-N 1 3 310.486 0.276 20 0 DCADHO C[C@H]1CN(CCN2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343921950 300260068 /nfs/dbraw/zinc/26/00/68/300260068.db2.gz JMSMFLAIQMNUPA-DLBZAZTESA-N 1 3 310.486 0.276 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000570798156 332818835 /nfs/dbraw/zinc/81/88/35/332818835.db2.gz QMYSKFWSFXZJAB-GJZGRUSLSA-N 1 3 309.454 0.585 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000580211848 333012092 /nfs/dbraw/zinc/01/20/92/333012092.db2.gz MIWXMKCOGFHDKA-SOUVJXGZSA-N 1 3 323.824 0.748 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(CCOCC(F)F)CC1 ZINC000189641998 333191359 /nfs/dbraw/zinc/19/13/59/333191359.db2.gz CYAIJZQOIACVKW-UHFFFAOYSA-N 1 3 307.385 0.658 20 0 DCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000582119470 333294710 /nfs/dbraw/zinc/29/47/10/333294710.db2.gz VYPCXQGHKHVECJ-KCQAQPDRSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000582231237 336285073 /nfs/dbraw/zinc/28/50/73/336285073.db2.gz VGGNPPKEWQEGAH-HUUCEWRRSA-N 1 3 312.458 0.642 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000582231237 336285074 /nfs/dbraw/zinc/28/50/74/336285074.db2.gz VGGNPPKEWQEGAH-HUUCEWRRSA-N 1 3 312.458 0.642 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000582963681 337219350 /nfs/dbraw/zinc/21/93/50/337219350.db2.gz ZIZKMOMDZLPGHR-HRCADAONSA-N 1 3 308.470 0.741 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000582972458 337224636 /nfs/dbraw/zinc/22/46/36/337224636.db2.gz FTTVDCKKEXCXKN-AWEZNQCLSA-N 1 3 323.441 0.285 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000583092564 337239736 /nfs/dbraw/zinc/23/97/36/337239736.db2.gz SNCKIXDWCVCGGK-KRWDZBQOSA-N 1 3 306.454 0.900 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583092564 337239737 /nfs/dbraw/zinc/23/97/37/337239737.db2.gz SNCKIXDWCVCGGK-KRWDZBQOSA-N 1 3 306.454 0.900 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577076793 341883998 /nfs/dbraw/zinc/88/39/98/341883998.db2.gz LIAMYVGHLLVOOW-HZSPNIEDSA-N 1 3 318.487 0.507 20 0 DCADHO CO[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)[C@H](C[NH3+])C1 ZINC000577953440 341957742 /nfs/dbraw/zinc/95/77/42/341957742.db2.gz UDQXNQXFZFXABR-SQWLQELKSA-N 1 3 303.406 0.838 20 0 DCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C)[NH3+])CC1 ZINC000236886517 521689410 /nfs/dbraw/zinc/68/94/10/521689410.db2.gz OOFGYCFARBQFLL-CQSZACIVSA-N 1 3 304.438 0.788 20 0 DCADHO C[NH2+]CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000262430573 521980059 /nfs/dbraw/zinc/98/00/59/521980059.db2.gz SZYHQLVQAJNQMN-UHFFFAOYSA-N 1 3 305.422 0.869 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N@H+](C)C1CC1 ZINC000364175709 524417207 /nfs/dbraw/zinc/41/72/07/524417207.db2.gz VXYMUTSWIDQVFV-VHDGCEQUSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N@@H+](C)C1CC1 ZINC000364175709 524417211 /nfs/dbraw/zinc/41/72/11/524417211.db2.gz VXYMUTSWIDQVFV-VHDGCEQUSA-N 1 3 310.442 0.632 20 0 DCADHO CC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000457493692 535469470 /nfs/dbraw/zinc/46/94/70/535469470.db2.gz XRRJSDBGJZHHGZ-OAHLLOKOSA-N 1 3 312.458 0.617 20 0 DCADHO CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)N1CCN(C)CC1 ZINC000320792762 546033241 /nfs/dbraw/zinc/03/32/41/546033241.db2.gz ZDQVDEPKZHMNKI-JKSUJKDBSA-N 1 3 310.486 0.907 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529289977 546285890 /nfs/dbraw/zinc/28/58/90/546285890.db2.gz QKSSFUUCMPPKFW-OAHLLOKOSA-N 1 3 323.485 0.596 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529298952 546287370 /nfs/dbraw/zinc/28/73/70/546287370.db2.gz JIHMXLASIGYXGY-HOTGVXAUSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)OCCOC[C@@H](O)CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253797 546372159 /nfs/dbraw/zinc/37/21/59/546372159.db2.gz LBNABXDQZGEDOO-GJZGRUSLSA-N 1 3 316.442 0.242 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)C1CCC1 ZINC000665763468 546397217 /nfs/dbraw/zinc/39/72/17/546397217.db2.gz BKHKKEGOIKGUPM-ZFWWWQNUSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)C1CCC1 ZINC000665763468 546397222 /nfs/dbraw/zinc/39/72/22/546397222.db2.gz BKHKKEGOIKGUPM-ZFWWWQNUSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)CC1CN(C)C1 ZINC000665763511 546398030 /nfs/dbraw/zinc/39/80/30/546398030.db2.gz CWIXDZYGWGMVDV-AWEZNQCLSA-N 1 3 313.490 0.461 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC[N@@H+]1C ZINC000668894123 546874447 /nfs/dbraw/zinc/87/44/47/546874447.db2.gz VQRJCMRHNLWAMQ-MGPQQGTHSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC[N@H+]1C ZINC000668894123 546874453 /nfs/dbraw/zinc/87/44/53/546874453.db2.gz VQRJCMRHNLWAMQ-MGPQQGTHSA-N 1 3 324.469 0.574 20 0 DCADHO COC[C@]1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CCC[NH2+]1 ZINC000669490822 546978327 /nfs/dbraw/zinc/97/83/27/546978327.db2.gz ARQJWZAUUGPKRY-GOEBONIOSA-N 1 3 310.442 0.539 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000669498289 546980554 /nfs/dbraw/zinc/98/05/54/546980554.db2.gz ARMMMJOXVVFPJH-MRXNPFEDSA-N 1 3 312.458 0.740 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519636 546983735 /nfs/dbraw/zinc/98/37/35/546983735.db2.gz LFOBMVGDSXVGGZ-LZWOXQAQSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)(C)[NH+]1CCC(NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271511 547068138 /nfs/dbraw/zinc/06/81/38/547068138.db2.gz SZACKPZUTIUFJI-UHFFFAOYSA-N 1 3 303.472 0.919 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671181319 547174804 /nfs/dbraw/zinc/17/48/04/547174804.db2.gz LZWURJVCBQYZDR-ZNMIVQPWSA-N 1 3 320.437 0.036 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671181319 547174807 /nfs/dbraw/zinc/17/48/07/547174807.db2.gz LZWURJVCBQYZDR-ZNMIVQPWSA-N 1 3 320.437 0.036 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671365603 547196405 /nfs/dbraw/zinc/19/64/05/547196405.db2.gz CKZNNPHDMFZQCR-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000672698224 547394577 /nfs/dbraw/zinc/39/45/77/547394577.db2.gz MYUBQYXRBPIJQB-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000672982539 547430986 /nfs/dbraw/zinc/43/09/86/547430986.db2.gz XKSVIFJPQJMXOE-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000673519721 547494112 /nfs/dbraw/zinc/49/41/12/547494112.db2.gz DSFLRGOCNQAXKE-QGZVFWFLSA-N 1 3 319.449 0.937 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(F)cn1 ZINC000675718078 547705558 /nfs/dbraw/zinc/70/55/58/547705558.db2.gz XUXMBNWAYCGPTL-UHFFFAOYSA-N 1 3 311.405 0.856 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCN3CCC3)C2)CC1 ZINC000677015264 547839146 /nfs/dbraw/zinc/83/91/46/547839146.db2.gz ZWHPPSQXOQQNTG-AWEZNQCLSA-N 1 3 309.458 0.160 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCN3CCC3)C2)CC1 ZINC000677015264 547839149 /nfs/dbraw/zinc/83/91/49/547839149.db2.gz ZWHPPSQXOQQNTG-AWEZNQCLSA-N 1 3 309.458 0.160 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCN3CCC3)C2)CC1 ZINC000677015264 547839155 /nfs/dbraw/zinc/83/91/55/547839155.db2.gz ZWHPPSQXOQQNTG-AWEZNQCLSA-N 1 3 309.458 0.160 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2[nH]cnc2c1 ZINC000677898740 547917529 /nfs/dbraw/zinc/91/75/29/547917529.db2.gz DDVMJWRSVSPSMF-UHFFFAOYSA-N 1 3 304.398 0.523 20 0 DCADHO C[C@H]1C[N@H+](CCn2ccccc2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000677904945 547919147 /nfs/dbraw/zinc/91/91/47/547919147.db2.gz AYNZPOWCOMCLKN-IRXDYDNUSA-N 1 3 318.465 0.806 20 0 DCADHO C[C@H]1C[N@@H+](CCn2ccccc2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000677904945 547919152 /nfs/dbraw/zinc/91/91/52/547919152.db2.gz AYNZPOWCOMCLKN-IRXDYDNUSA-N 1 3 318.465 0.806 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCCS(N)(=O)=O)[C@@H](C)C1 ZINC000682535719 548396927 /nfs/dbraw/zinc/39/69/27/548396927.db2.gz HJSCJXBTCQIUSX-KBPBESRZSA-N 1 3 321.487 0.392 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCCS(N)(=O)=O)[C@@H](C)C1 ZINC000682535719 548396931 /nfs/dbraw/zinc/39/69/31/548396931.db2.gz HJSCJXBTCQIUSX-KBPBESRZSA-N 1 3 321.487 0.392 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccnc4)C[C@H]32)C1 ZINC000979046491 660653618 /nfs/dbraw/zinc/65/36/18/660653618.db2.gz BNHFCNMSADFSMG-LUKYLMHMSA-N 1 3 314.433 0.827 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccnc4)C[C@H]32)C1 ZINC000979046491 660653620 /nfs/dbraw/zinc/65/36/20/660653620.db2.gz BNHFCNMSADFSMG-LUKYLMHMSA-N 1 3 314.433 0.827 20 0 DCADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980391697 660926277 /nfs/dbraw/zinc/92/62/77/660926277.db2.gz RETNZWJNZGBGCQ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980391697 660926279 /nfs/dbraw/zinc/92/62/79/660926279.db2.gz RETNZWJNZGBGCQ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2cnns2)CN1C(=O)CN1CCCC1 ZINC000980802431 661014229 /nfs/dbraw/zinc/01/42/29/661014229.db2.gz ZDLNBMFYYFRMHS-QWHCGFSZSA-N 1 3 323.466 0.961 20 0 DCADHO O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000982062749 661285601 /nfs/dbraw/zinc/28/56/01/661285601.db2.gz DEQUTPBIJUBUSI-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000982062749 661285604 /nfs/dbraw/zinc/28/56/04/661285604.db2.gz DEQUTPBIJUBUSI-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001023128948 657539896 /nfs/dbraw/zinc/53/98/96/657539896.db2.gz ZWZHKPVRFZUGCX-CRWXNKLISA-N 1 3 310.442 0.362 20 0 DCADHO CC1CC[NH+](CCCCN2C(=O)N[C@@H](CN(C)C)C2=O)CC1 ZINC000924476493 657552297 /nfs/dbraw/zinc/55/22/97/657552297.db2.gz HKDFTIUILLGGJG-AWEZNQCLSA-N 1 3 310.442 0.981 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000969197280 657554287 /nfs/dbraw/zinc/55/42/87/657554287.db2.gz GGGGMVVSYSAYQR-OAHLLOKOSA-N 1 3 317.437 0.739 20 0 DCADHO Cn1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000998721510 665512223 /nfs/dbraw/zinc/51/22/23/665512223.db2.gz MMXYJSWAEJGSCE-LSDHHAIUSA-N 1 3 305.426 0.595 20 0 DCADHO COc1cc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC000970711289 657813639 /nfs/dbraw/zinc/81/36/39/657813639.db2.gz DMNYFFOLCRTYGZ-LSDHHAIUSA-N 1 3 318.421 0.732 20 0 DCADHO COc1cc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC000970711289 657813645 /nfs/dbraw/zinc/81/36/45/657813645.db2.gz DMNYFFOLCRTYGZ-LSDHHAIUSA-N 1 3 318.421 0.732 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000969408302 657821096 /nfs/dbraw/zinc/82/10/96/657821096.db2.gz JDLPJMOCRLWIMB-GYMHETDLSA-N 1 3 305.422 0.450 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892057354 658144097 /nfs/dbraw/zinc/14/40/97/658144097.db2.gz YHWJJIGCBUWIFB-HNNXBMFYSA-N 1 3 306.410 0.236 20 0 DCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@H]1CNCCO1 ZINC000892187815 658288828 /nfs/dbraw/zinc/28/88/28/658288828.db2.gz CYOCAIOEBZSAKO-UKRRQHHQSA-N 1 3 319.409 0.290 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCc3cncn3C)C2)C1 ZINC000969961028 658298941 /nfs/dbraw/zinc/29/89/41/658298941.db2.gz ZAZZIZASMKXJRE-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCc3cncn3C)C2)C1 ZINC000969961028 658298947 /nfs/dbraw/zinc/29/89/47/658298947.db2.gz ZAZZIZASMKXJRE-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)ncn1 ZINC001022719917 658383564 /nfs/dbraw/zinc/38/35/64/658383564.db2.gz OGUXLBFOGFTCAW-UYHMYPTGSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)ncn1 ZINC001022719917 658383574 /nfs/dbraw/zinc/38/35/74/658383574.db2.gz OGUXLBFOGFTCAW-UYHMYPTGSA-N 1 3 317.437 0.720 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001011159852 658552393 /nfs/dbraw/zinc/55/23/93/658552393.db2.gz GTOQVLMGPUFANI-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001011159852 658552406 /nfs/dbraw/zinc/55/24/06/658552406.db2.gz GTOQVLMGPUFANI-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000972333164 658578852 /nfs/dbraw/zinc/57/88/52/658578852.db2.gz UFDUUVNFMLIBDU-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC000972333164 658578858 /nfs/dbraw/zinc/57/88/58/658578858.db2.gz UFDUUVNFMLIBDU-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022808656 658601675 /nfs/dbraw/zinc/60/16/75/658601675.db2.gz YPSRNOSOOBAKLO-LXTVHRRPSA-N 1 3 322.453 0.375 20 0 DCADHO COCCN1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438923 658623651 /nfs/dbraw/zinc/62/36/51/658623651.db2.gz ZVEBWZWIRCOZBD-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970171253 658689834 /nfs/dbraw/zinc/68/98/34/658689834.db2.gz XOGVJMMILGQZKZ-RZZRIIHNSA-N 1 3 307.438 0.695 20 0 DCADHO CC1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)CC1 ZINC001022880303 658736465 /nfs/dbraw/zinc/73/64/65/658736465.db2.gz ROYLLKNWHZEAOW-OKILXGFUSA-N 1 3 320.441 0.284 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891493280 658891784 /nfs/dbraw/zinc/89/17/84/658891784.db2.gz ORZIAKVSPWEDGG-CYBMUJFWSA-N 1 3 300.447 0.642 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000891513744 658898558 /nfs/dbraw/zinc/89/85/58/658898558.db2.gz GHTGVEYQHHYRAI-UONOGXRCSA-N 1 3 305.382 0.326 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000891513744 658898567 /nfs/dbraw/zinc/89/85/67/658898567.db2.gz GHTGVEYQHHYRAI-UONOGXRCSA-N 1 3 305.382 0.326 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001023024606 658919798 /nfs/dbraw/zinc/91/97/98/658919798.db2.gz AYGSDSJFHAWFAM-MCIONIFRSA-N 1 3 306.410 0.924 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001023025087 658920582 /nfs/dbraw/zinc/92/05/82/658920582.db2.gz UNVCKMDGJKHWRY-OKILXGFUSA-N 1 3 306.410 0.924 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCCN1CCO ZINC000892588747 658948696 /nfs/dbraw/zinc/94/86/96/658948696.db2.gz GBQOESSMHSZLMB-QKPAOTATSA-N 1 3 324.469 0.663 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001027139143 658994432 /nfs/dbraw/zinc/99/44/32/658994432.db2.gz BHFOTRZURQQWBM-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC000999347253 665633376 /nfs/dbraw/zinc/63/33/76/665633376.db2.gz HYKDTEPNCXZYAK-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CCn1ccc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027216119 659086334 /nfs/dbraw/zinc/08/63/34/659086334.db2.gz RLFGCDBUFUZNFF-CABCVRRESA-N 1 3 319.453 0.793 20 0 DCADHO CCn1ccc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027216119 659086339 /nfs/dbraw/zinc/08/63/39/659086339.db2.gz RLFGCDBUFUZNFF-CABCVRRESA-N 1 3 319.453 0.793 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC000999421883 665643310 /nfs/dbraw/zinc/64/33/10/665643310.db2.gz KEQIJRKAXUICSK-GJZGRUSLSA-N 1 3 322.457 0.445 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC000999492656 665653393 /nfs/dbraw/zinc/65/33/93/665653393.db2.gz BUDNBCAWHHGVCY-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CCN1CCCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892768630 659440902 /nfs/dbraw/zinc/44/09/02/659440902.db2.gz LLAVMFKDGUDXKD-HNNXBMFYSA-N 1 3 324.469 0.882 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000999764378 665681147 /nfs/dbraw/zinc/68/11/47/665681147.db2.gz JNCPYIXIMNGGLS-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892944066 659541498 /nfs/dbraw/zinc/54/14/98/659541498.db2.gz NREQHYAVAWWWCY-ZMSDIMECSA-N 1 3 324.469 0.690 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892944066 659541499 /nfs/dbraw/zinc/54/14/99/659541499.db2.gz NREQHYAVAWWWCY-ZMSDIMECSA-N 1 3 324.469 0.690 20 0 DCADHO CC(C)[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)N1CCN(C)CC1 ZINC000328554432 659571781 /nfs/dbraw/zinc/57/17/81/659571781.db2.gz XUIPUVBBUBXCFN-UXJCHEOYSA-N 1 3 306.498 0.844 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3cnns3)C2)CCC1 ZINC001026886179 659627080 /nfs/dbraw/zinc/62/70/80/659627080.db2.gz SLTAGPBQYSLOEB-LBPRGKRZSA-N 1 3 323.466 0.961 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](CNCc2nncn2C)C1)[NH+](C)C ZINC001027042510 659728475 /nfs/dbraw/zinc/72/84/75/659728475.db2.gz HEVMOXZAGSBJLZ-DZGCQCFKSA-N 1 3 322.457 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001027069015 659755805 /nfs/dbraw/zinc/75/58/05/659755805.db2.gz JEMHITIOSLPANP-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001026043461 659759229 /nfs/dbraw/zinc/75/92/29/659759229.db2.gz YNITXIDQVRXSTI-JLOCXQCDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001026043461 659759231 /nfs/dbraw/zinc/75/92/31/659759231.db2.gz YNITXIDQVRXSTI-JLOCXQCDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001027063720 659761122 /nfs/dbraw/zinc/76/11/22/659761122.db2.gz QKTGYHWEMXAPDI-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001027063720 659761124 /nfs/dbraw/zinc/76/11/24/659761124.db2.gz QKTGYHWEMXAPDI-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3ccn(C)n3)C2)C1 ZINC001027064368 659762489 /nfs/dbraw/zinc/76/24/89/659762489.db2.gz CLEYSANKGXZLQF-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3ccn(C)n3)C2)C1 ZINC001027064368 659762492 /nfs/dbraw/zinc/76/24/92/659762492.db2.gz CLEYSANKGXZLQF-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001000111611 665741812 /nfs/dbraw/zinc/74/18/12/665741812.db2.gz KEQIJRKAXUICSK-HUUCEWRRSA-N 1 3 322.457 0.445 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001000107094 665742227 /nfs/dbraw/zinc/74/22/27/665742227.db2.gz WMQPVVJOOOLMJU-DZGCQCFKSA-N 1 3 322.457 0.482 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001000198188 665773435 /nfs/dbraw/zinc/77/34/35/665773435.db2.gz KXTFNCXWGRQNQH-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1 ZINC000982552672 661565030 /nfs/dbraw/zinc/56/50/30/661565030.db2.gz BDWRCZWXUMYTQT-BHYGNILZSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1 ZINC000982552672 661565032 /nfs/dbraw/zinc/56/50/32/661565032.db2.gz BDWRCZWXUMYTQT-BHYGNILZSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028699246 661766357 /nfs/dbraw/zinc/76/63/57/661766357.db2.gz VZZQSDCDOMFFGH-UERKLNTKSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028699246 661766359 /nfs/dbraw/zinc/76/63/59/661766359.db2.gz VZZQSDCDOMFFGH-UERKLNTKSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccnn3C)C2)C1 ZINC000984805524 662316805 /nfs/dbraw/zinc/31/68/05/662316805.db2.gz UEPLHJUYPUHXOZ-RBSFLKMASA-N 1 3 319.453 0.746 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985327738 662410617 /nfs/dbraw/zinc/41/06/17/662410617.db2.gz JVXAMLGFZTXBIC-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985327738 662410618 /nfs/dbraw/zinc/41/06/18/662410618.db2.gz JVXAMLGFZTXBIC-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985327740 662410747 /nfs/dbraw/zinc/41/07/47/662410747.db2.gz JVXAMLGFZTXBIC-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC000985327740 662410749 /nfs/dbraw/zinc/41/07/49/662410749.db2.gz JVXAMLGFZTXBIC-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000985431942 662443792 /nfs/dbraw/zinc/44/37/92/662443792.db2.gz AXGOASXJOQNZNL-WFASDCNBSA-N 1 3 322.453 0.125 20 0 DCADHO CN(CCF)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442575 662448817 /nfs/dbraw/zinc/44/88/17/662448817.db2.gz IVULREXYFBORRA-CABCVRRESA-N 1 3 313.417 0.742 20 0 DCADHO CN(CCF)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442575 662448818 /nfs/dbraw/zinc/44/88/18/662448818.db2.gz IVULREXYFBORRA-CABCVRRESA-N 1 3 313.417 0.742 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985551881 662478569 /nfs/dbraw/zinc/47/85/69/662478569.db2.gz ALDQHZBTUSGVSG-MRXNPFEDSA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000985638956 662494433 /nfs/dbraw/zinc/49/44/33/662494433.db2.gz REPYBMUQBVOTTB-TZMCWYRMSA-N 1 3 312.458 0.369 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029902293 662552701 /nfs/dbraw/zinc/55/27/01/662552701.db2.gz OWUYWTCXHWNQGH-HOCLYGCPSA-N 1 3 319.453 0.652 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029902293 662552702 /nfs/dbraw/zinc/55/27/02/662552702.db2.gz OWUYWTCXHWNQGH-HOCLYGCPSA-N 1 3 319.453 0.652 20 0 DCADHO C[C@@H]1[C@@H](NCCF)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000986298211 662581055 /nfs/dbraw/zinc/58/10/55/662581055.db2.gz IDLKQRJLZGBXNE-OLZOCXBDSA-N 1 3 311.405 0.607 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)CC1 ZINC000987289486 662664693 /nfs/dbraw/zinc/66/46/93/662664693.db2.gz DOEPPVZIRTWICE-OCCSQVGLSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987352617 662671441 /nfs/dbraw/zinc/67/14/41/662671441.db2.gz ALEGLTWSZNIGTQ-DZGCQCFKSA-N 1 3 317.437 0.595 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000937978069 662847636 /nfs/dbraw/zinc/84/76/36/662847636.db2.gz HSILRBUHXBROOF-ILXRZTDVSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000937978069 662847638 /nfs/dbraw/zinc/84/76/38/662847638.db2.gz HSILRBUHXBROOF-ILXRZTDVSA-N 1 3 324.469 0.241 20 0 DCADHO NC(=O)CN[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001000662037 665906552 /nfs/dbraw/zinc/90/65/52/665906552.db2.gz XWJDXOKUVZJRQO-OAHLLOKOSA-N 1 3 322.453 0.174 20 0 DCADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729505066 662892183 /nfs/dbraw/zinc/89/21/83/662892183.db2.gz MQYLMDBSOXLGRL-CVEARBPZSA-N 1 3 324.469 0.833 20 0 DCADHO CCOC(=O)N1C[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H](CO)C1 ZINC000898350459 662950084 /nfs/dbraw/zinc/95/00/84/662950084.db2.gz ITKRUIDYIXWTIQ-DOMZBBRYSA-N 1 3 311.426 0.652 20 0 DCADHO CN(C(=O)c1ccnn1CC[NH+](C)C)[C@H]1CN2CCC1CC2 ZINC000900660243 663267429 /nfs/dbraw/zinc/26/74/29/663267429.db2.gz COBSYDPNMYCPKK-HNNXBMFYSA-N 1 3 305.426 0.611 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000903479858 663456451 /nfs/dbraw/zinc/45/64/51/663456451.db2.gz YCCONMWEQKSLGF-NRKLIOEPSA-N 1 3 323.481 0.974 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCCCCC1)C2 ZINC000903490914 663457938 /nfs/dbraw/zinc/45/79/38/663457938.db2.gz MOLFOCWHMOPBBF-VBQJREDUSA-N 1 3 323.437 0.601 20 0 DCADHO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)N2CCNCC2)CCC1 ZINC000903548207 663462334 /nfs/dbraw/zinc/46/23/34/663462334.db2.gz XEEGIURIFQOFEV-CYBMUJFWSA-N 1 3 316.471 0.120 20 0 DCADHO [NH3+]CCc1ccc2c(c1)CCCN2S(=O)(=O)N1CCNCC1 ZINC000903599383 663468470 /nfs/dbraw/zinc/46/84/70/663468470.db2.gz NEBVYRUEBLSGIX-UHFFFAOYSA-N 1 3 324.450 0.090 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN(C)[C@H](C)CN2CCOCC2)cnn1C ZINC000903909635 663494596 /nfs/dbraw/zinc/49/45/96/663494596.db2.gz GWUAEQYVCQFUPI-ZBFHGGJFSA-N 1 3 323.485 0.498 20 0 DCADHO CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000903939519 663495623 /nfs/dbraw/zinc/49/56/23/663495623.db2.gz IGNCMQHDDNLKJT-AAEUAGOBSA-N 1 3 323.359 0.837 20 0 DCADHO CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000903939519 663495624 /nfs/dbraw/zinc/49/56/24/663495624.db2.gz IGNCMQHDDNLKJT-AAEUAGOBSA-N 1 3 323.359 0.837 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN[C@@H](C)[C@@H](C)N2CCOCC2)cnn1C ZINC000903922769 663496184 /nfs/dbraw/zinc/49/61/84/663496184.db2.gz DNTGFNAFEKBJJB-SQWLQELKSA-N 1 3 323.485 0.545 20 0 DCADHO OCC1(NCc2cnnn2[C@H]2CCC[NH2+]C2)CCSCC1 ZINC000903929609 663496361 /nfs/dbraw/zinc/49/63/61/663496361.db2.gz HQYKIRKSHJJPHY-LBPRGKRZSA-N 1 3 311.455 0.550 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903984276 663499866 /nfs/dbraw/zinc/49/98/66/663499866.db2.gz RVSKQVUMGCIRMN-IJLUTSLNSA-N 1 3 322.375 0.395 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904486277 663515391 /nfs/dbraw/zinc/51/53/91/663515391.db2.gz RTGWHBWJADHABJ-OAHLLOKOSA-N 1 3 306.414 0.805 20 0 DCADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)C2 ZINC000904996166 663522454 /nfs/dbraw/zinc/52/24/54/663522454.db2.gz WICADLQQHXQPLS-YJNKXOJESA-N 1 3 320.437 0.021 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000992031 665976882 /nfs/dbraw/zinc/97/68/82/665976882.db2.gz LPJYKTKYMGWUJX-AWEZNQCLSA-N 1 3 318.421 0.428 20 0 DCADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000906650439 663627212 /nfs/dbraw/zinc/62/72/12/663627212.db2.gz HTGAGUWTCSBUCZ-CQSZACIVSA-N 1 3 316.405 0.684 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1CCCCC1 ZINC000910945077 663961203 /nfs/dbraw/zinc/96/12/03/663961203.db2.gz AYMNAAWVLHYBLY-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911054427 663973057 /nfs/dbraw/zinc/97/30/57/663973057.db2.gz HLLRLAAIDWRMOA-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000911160510 663995322 /nfs/dbraw/zinc/99/53/22/663995322.db2.gz DLASHVWIHNQXCZ-UONOGXRCSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C1=CCN(C)CC1 ZINC000911219593 664007268 /nfs/dbraw/zinc/00/72/68/664007268.db2.gz PJBCPRPIEAHWPF-CXAGYDPISA-N 1 3 320.437 0.108 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000911275755 664015168 /nfs/dbraw/zinc/01/51/68/664015168.db2.gz OPPRSEVUTXEZBM-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911283501 664026556 /nfs/dbraw/zinc/02/65/56/664026556.db2.gz HKSFKVKLPPAYPX-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911332751 664029753 /nfs/dbraw/zinc/02/97/53/664029753.db2.gz OOGUKJVUKZOKMX-KBPBESRZSA-N 1 3 324.469 0.419 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000911338142 664038105 /nfs/dbraw/zinc/03/81/05/664038105.db2.gz YLIMKGRXNVXOFP-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CCC[C@@H](C)C1 ZINC000911378692 664041071 /nfs/dbraw/zinc/04/10/71/664041071.db2.gz HMVFYHZQYMFWSO-TUVASFSCSA-N 1 3 324.469 0.195 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCC2([NH3+])CC2)o1 ZINC000911504314 664066655 /nfs/dbraw/zinc/06/66/55/664066655.db2.gz XIGHGMNVVMLFIR-UHFFFAOYSA-N 1 3 322.409 0.086 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)[C@H]1C[NH3+] ZINC000911529250 664068872 /nfs/dbraw/zinc/06/88/72/664068872.db2.gz BHRODJBRBNMAMQ-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CCN(C(=O)C(=O)NCCN1CCC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000911529680 664069035 /nfs/dbraw/zinc/06/90/35/664069035.db2.gz FRPQICNXBOQNMB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000911532394 664070034 /nfs/dbraw/zinc/07/00/34/664070034.db2.gz KXLIZCAJBBPOKN-CYBMUJFWSA-N 1 3 324.469 0.420 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911534279 664070411 /nfs/dbraw/zinc/07/04/11/664070411.db2.gz UHNFQPUYLLQSPS-UHFFFAOYSA-N 1 3 312.458 0.278 20 0 DCADHO CCCN(C(=O)C(=O)NCCN1CCC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000911533240 664070610 /nfs/dbraw/zinc/07/06/10/664070610.db2.gz OEACXVBTSPKKJL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911519009 664073749 /nfs/dbraw/zinc/07/37/49/664073749.db2.gz DVCKBRJDXVWLFK-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CCC1(C)C ZINC000911558692 664079155 /nfs/dbraw/zinc/07/91/55/664079155.db2.gz XHQJLBCMILXGPK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC[C@@H](C)C1 ZINC000911536602 664080532 /nfs/dbraw/zinc/08/05/32/664080532.db2.gz OVLXQUSIRAEFBV-UXXRCYHCSA-N 1 3 322.453 0.232 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)N[C@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000911674308 664099597 /nfs/dbraw/zinc/09/95/97/664099597.db2.gz SSWYIDZNVXKMIJ-QWHCGFSZSA-N 1 3 302.378 0.380 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)N[C@@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000911674306 664099609 /nfs/dbraw/zinc/09/96/09/664099609.db2.gz SSWYIDZNVXKMIJ-CHWSQXEVSA-N 1 3 302.378 0.380 20 0 DCADHO CC[NH2+]CCCNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC000911689016 664100643 /nfs/dbraw/zinc/10/06/43/664100643.db2.gz YMRGVBSCJZMSET-ZDUSSCGKSA-N 1 3 304.394 0.628 20 0 DCADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@]12C[C@H]1CCCN2 ZINC000911735037 664104449 /nfs/dbraw/zinc/10/44/49/664104449.db2.gz HDLMLLZGDHMXJU-WBMJQRKESA-N 1 3 301.394 0.572 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NCC[C@@H]3CC[NH2+]C3)ccc2NC1=O ZINC000911768483 664106934 /nfs/dbraw/zinc/10/69/34/664106934.db2.gz PQQZGHMAVWEJHJ-SMDDNHRTSA-N 1 3 316.405 0.628 20 0 DCADHO CN(C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2)[C@H]1CC[NH2+]C1 ZINC000911787004 664109395 /nfs/dbraw/zinc/10/93/95/664109395.db2.gz GHKBBZFYLDHEIU-STQMWFEESA-N 1 3 302.378 0.333 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991479772 664361813 /nfs/dbraw/zinc/36/18/13/664361813.db2.gz PRKDLUITKXUYOO-HUUCEWRRSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000991479772 664361816 /nfs/dbraw/zinc/36/18/16/664361816.db2.gz PRKDLUITKXUYOO-HUUCEWRRSA-N 1 3 324.469 0.526 20 0 DCADHO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)C[C@@H]2C1 ZINC000915053320 664857314 /nfs/dbraw/zinc/85/73/14/664857314.db2.gz QGRQVIBAPAYQRY-ZNMIVQPWSA-N 1 3 313.467 0.296 20 0 DCADHO C[N@H+]1C[C@@H]2CN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)C[C@@H]2C1 ZINC000915053320 664857315 /nfs/dbraw/zinc/85/73/15/664857315.db2.gz QGRQVIBAPAYQRY-ZNMIVQPWSA-N 1 3 313.467 0.296 20 0 DCADHO CN1CC[C@@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000915493139 664925861 /nfs/dbraw/zinc/92/58/61/664925861.db2.gz QMGCYDNKQMHYIR-MRXNPFEDSA-N 1 3 323.485 0.548 20 0 DCADHO CC[C@H](CN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)OC ZINC001031675099 665283107 /nfs/dbraw/zinc/28/31/07/665283107.db2.gz VILINIAWTZWGPT-CVEARBPZSA-N 1 3 309.454 0.801 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000997844571 665353341 /nfs/dbraw/zinc/35/33/41/665353341.db2.gz QIIQIOVZQWSPAY-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000998080509 665396967 /nfs/dbraw/zinc/39/69/67/665396967.db2.gz BTBGOBGFCKPGOB-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941436831 665998110 /nfs/dbraw/zinc/99/81/10/665998110.db2.gz HRGIWAZKCQCIKG-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001003627108 666336736 /nfs/dbraw/zinc/33/67/36/666336736.db2.gz CHJAZRPUZFRMMF-MRXNPFEDSA-N 1 3 315.433 0.772 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001032186358 666395309 /nfs/dbraw/zinc/39/53/09/666395309.db2.gz OWCOXJXXNFDSHQ-HUUCEWRRSA-N 1 3 309.454 0.801 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001032186358 666395311 /nfs/dbraw/zinc/39/53/11/666395311.db2.gz OWCOXJXXNFDSHQ-HUUCEWRRSA-N 1 3 309.454 0.801 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](CCO)CC1 ZINC001004201320 666475977 /nfs/dbraw/zinc/47/59/77/666475977.db2.gz MTZGWNYMVRMTBP-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623369 666557258 /nfs/dbraw/zinc/55/72/58/666557258.db2.gz JKJXJPVMJVBKOY-SIXLDLHFSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623369 666557260 /nfs/dbraw/zinc/55/72/60/666557260.db2.gz JKJXJPVMJVBKOY-SIXLDLHFSA-N 1 3 323.481 0.878 20 0 DCADHO NC(=O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614492 666568234 /nfs/dbraw/zinc/56/82/34/666568234.db2.gz BWTKBRCMUUJODZ-OAHLLOKOSA-N 1 3 322.453 0.271 20 0 DCADHO NC(=O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614492 666568235 /nfs/dbraw/zinc/56/82/35/666568235.db2.gz BWTKBRCMUUJODZ-OAHLLOKOSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800756 666668601 /nfs/dbraw/zinc/66/86/01/666668601.db2.gz JYMIDQGHIMLGOP-MCIONIFRSA-N 1 3 306.410 0.503 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800756 666668603 /nfs/dbraw/zinc/66/86/03/666668603.db2.gz JYMIDQGHIMLGOP-MCIONIFRSA-N 1 3 306.410 0.503 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033659948 666791130 /nfs/dbraw/zinc/79/11/30/666791130.db2.gz FWGNPGJZDDKJTI-HOTGVXAUSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033659948 666791133 /nfs/dbraw/zinc/79/11/33/666791133.db2.gz FWGNPGJZDDKJTI-HOTGVXAUSA-N 1 3 319.453 0.447 20 0 DCADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996617753 666838464 /nfs/dbraw/zinc/83/84/64/666838464.db2.gz WFUZURDCXLPBMQ-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996617753 666838466 /nfs/dbraw/zinc/83/84/66/666838466.db2.gz WFUZURDCXLPBMQ-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1)N(C)C ZINC000996718345 666875234 /nfs/dbraw/zinc/87/52/34/666875234.db2.gz NRGRBDFGCQBXHM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000861574116 666946447 /nfs/dbraw/zinc/94/64/47/666946447.db2.gz PLUSVZRDXAUFSP-HDEZJCGLSA-N 1 3 322.453 0.491 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000861644033 666953180 /nfs/dbraw/zinc/95/31/80/666953180.db2.gz UCQGAAXBWYOPTJ-INIZCTEOSA-N 1 3 320.437 0.751 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CCCCC1 ZINC000861728835 666967404 /nfs/dbraw/zinc/96/74/04/666967404.db2.gz LOUGMTAAJSGEDP-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC000997003616 667071586 /nfs/dbraw/zinc/07/15/86/667071586.db2.gz CTUVDJSEJIFVAK-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000997010261 667073665 /nfs/dbraw/zinc/07/36/65/667073665.db2.gz RYBDWSRFYJQYGC-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1)C(N)=O ZINC000997114712 667142374 /nfs/dbraw/zinc/14/23/74/667142374.db2.gz FYTPBLDLUXCTTC-CYBMUJFWSA-N 1 3 310.442 0.173 20 0 DCADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034791623 667148629 /nfs/dbraw/zinc/14/86/29/667148629.db2.gz OFIHIEUOSKUJDE-RBSFLKMASA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034791623 667148631 /nfs/dbraw/zinc/14/86/31/667148631.db2.gz OFIHIEUOSKUJDE-RBSFLKMASA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)NC(=O)OC(C)(C)C ZINC000863554618 667157438 /nfs/dbraw/zinc/15/74/38/667157438.db2.gz CXDPPQPLHJOXTM-STQMWFEESA-N 1 3 301.431 0.946 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCc2cnnn2C)C1 ZINC001035049296 667228459 /nfs/dbraw/zinc/22/84/59/667228459.db2.gz MJPIKTUVOTWHIM-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCc2cnnn2C)C1 ZINC001035049296 667228462 /nfs/dbraw/zinc/22/84/62/667228462.db2.gz MJPIKTUVOTWHIM-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035717632 667403446 /nfs/dbraw/zinc/40/34/46/667403446.db2.gz PAMZGJGSXCOQHV-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035717632 667403448 /nfs/dbraw/zinc/40/34/48/667403448.db2.gz PAMZGJGSXCOQHV-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](C[C@@H](C)O)C2)CC1)N(C)C ZINC001035786635 667409793 /nfs/dbraw/zinc/40/97/93/667409793.db2.gz BGIPAPXMFIYZJI-HUUCEWRRSA-N 1 3 311.470 0.878 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035795503 667410314 /nfs/dbraw/zinc/41/03/14/667410314.db2.gz UVZQAUCLERTYFZ-HUUCEWRRSA-N 1 3 309.454 0.755 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035795503 667410316 /nfs/dbraw/zinc/41/03/16/667410316.db2.gz UVZQAUCLERTYFZ-HUUCEWRRSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001036192231 667430809 /nfs/dbraw/zinc/43/08/09/667430809.db2.gz HPLBEYAFTWGORU-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NCC1([NH+](C)C)CC1 ZINC000923001635 667456592 /nfs/dbraw/zinc/45/65/92/667456592.db2.gz VHTNOLWPYOVCJW-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884198434 667495706 /nfs/dbraw/zinc/49/57/06/667495706.db2.gz WQSQYIGTXJZOTP-CQSZACIVSA-N 1 3 303.410 0.315 20 0 DCADHO COCC[C@@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000884205091 667497701 /nfs/dbraw/zinc/49/77/01/667497701.db2.gz MGXKQEMEXIOFEP-CQSZACIVSA-N 1 3 322.409 0.879 20 0 DCADHO Cc1ccc(NC(=O)[C@@H]2CCCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)nc1 ZINC000923322160 667507184 /nfs/dbraw/zinc/50/71/84/667507184.db2.gz SWENHPVYILOYTA-QPSCCSFWSA-N 1 3 318.421 0.891 20 0 DCADHO CC(C)OC[C@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346176 667513061 /nfs/dbraw/zinc/51/30/61/667513061.db2.gz QDABKPUOTIALLW-UONOGXRCSA-N 1 3 301.431 0.092 20 0 DCADHO N[C@@H](CC1CC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280110 667514602 /nfs/dbraw/zinc/51/46/02/667514602.db2.gz BKCORUYMATVZGC-WDEREUQCSA-N 1 3 308.348 0.066 20 0 DCADHO O[C@@H](COc1ccc(F)cc1)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923367447 667517623 /nfs/dbraw/zinc/51/76/23/667517623.db2.gz VEERMFWSILPKAL-JKSUJKDBSA-N 1 3 323.412 0.545 20 0 DCADHO CCOC(=O)N(C)C1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923368867 667517634 /nfs/dbraw/zinc/51/76/34/667517634.db2.gz DBDATEQZACTVNO-CQSZACIVSA-N 1 3 311.426 0.918 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000884340989 667527917 /nfs/dbraw/zinc/52/79/17/667527917.db2.gz QWUYNAVUVDMIBS-STQMWFEESA-N 1 3 306.414 0.146 20 0 DCADHO COc1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)sn1 ZINC000923430730 667532658 /nfs/dbraw/zinc/53/26/58/667532658.db2.gz JPYVMNCNFIBZTI-DOMZBBRYSA-N 1 3 324.450 0.888 20 0 DCADHO O[C@H](CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C(F)(F)F ZINC000923430618 667532719 /nfs/dbraw/zinc/53/27/19/667532719.db2.gz IJKOAODSQCOBCQ-FRRDWIJNSA-N 1 3 307.360 0.810 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923496098 667545701 /nfs/dbraw/zinc/54/57/01/667545701.db2.gz GOKFTDGIKQHUHK-AEGPPILISA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1C[NH3+] ZINC000923502639 667547795 /nfs/dbraw/zinc/54/77/95/667547795.db2.gz XXPGOXGGDLDKMS-UMVBOHGHSA-N 1 3 305.426 0.832 20 0 DCADHO C[C@@H]1CN([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1C[NH3+] ZINC000923501306 667550771 /nfs/dbraw/zinc/55/07/71/667550771.db2.gz QDCVQAZAYZMRLZ-MCIONIFRSA-N 1 3 305.426 0.832 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000884577434 667569144 /nfs/dbraw/zinc/56/91/44/667569144.db2.gz FGHXUMAGDUQTOQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)C2CNC2)c1 ZINC000923592599 667574837 /nfs/dbraw/zinc/57/48/37/667574837.db2.gz ZBHINVJAHANXQW-UHFFFAOYSA-N 1 3 311.451 0.920 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCNCCC12CCC2)[N@H+](C)C1CC1 ZINC000884617598 667576405 /nfs/dbraw/zinc/57/64/05/667576405.db2.gz OTNBFJYNUUIDAP-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCNCCC12CCC2)[N@@H+](C)C1CC1 ZINC000884617598 667576407 /nfs/dbraw/zinc/57/64/07/667576407.db2.gz OTNBFJYNUUIDAP-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)C2CNC2)C1 ZINC000923608382 667643738 /nfs/dbraw/zinc/64/37/38/667643738.db2.gz RPIRZUWIRJPJBF-LBPRGKRZSA-N 1 3 303.472 0.778 20 0 DCADHO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)C2CNC2)C1 ZINC000923608382 667643739 /nfs/dbraw/zinc/64/37/39/667643739.db2.gz RPIRZUWIRJPJBF-LBPRGKRZSA-N 1 3 303.472 0.778 20 0 DCADHO O=S(=O)(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CNC1 ZINC000923609038 667648219 /nfs/dbraw/zinc/64/82/19/667648219.db2.gz SYGTUSUIHBHAFT-CQSZACIVSA-N 1 3 315.483 0.922 20 0 DCADHO O=S(=O)(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1CNC1 ZINC000923609038 667648222 /nfs/dbraw/zinc/64/82/22/667648222.db2.gz SYGTUSUIHBHAFT-CQSZACIVSA-N 1 3 315.483 0.922 20 0 DCADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)N1CCNCC1 ZINC000923623377 667763625 /nfs/dbraw/zinc/76/36/25/667763625.db2.gz BDSIHXKDSPSUQV-MCIONIFRSA-N 1 3 318.487 0.092 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870946567 667776708 /nfs/dbraw/zinc/77/67/08/667776708.db2.gz SIRNLFXXCULJKI-NSHDSACASA-N 1 3 310.423 0.328 20 0 DCADHO CCN1CC[C@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)[C@H](C)C1 ZINC000886732972 667793011 /nfs/dbraw/zinc/79/30/11/667793011.db2.gz WQWTTWHYYUJGQO-OLZOCXBDSA-N 1 3 303.472 0.730 20 0 DCADHO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000872146185 667867795 /nfs/dbraw/zinc/86/77/95/667867795.db2.gz HRBKCFJQLAIWLD-FPCVCCKLSA-N 1 3 309.454 0.728 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000872146864 667868029 /nfs/dbraw/zinc/86/80/29/667868029.db2.gz ZIHSZASMDQKFDF-VNAATALASA-N 1 3 321.421 0.811 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872146677 667868478 /nfs/dbraw/zinc/86/84/78/667868478.db2.gz USOMSJGAWJXMEZ-CBBWQLFWSA-N 1 3 321.421 0.813 20 0 DCADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000872202868 667877071 /nfs/dbraw/zinc/87/70/71/667877071.db2.gz QRUFFKAWXXIPHW-RRFJBIMHSA-N 1 3 300.443 0.741 20 0 DCADHO C[C@H](NCc1cccc(-n2cc(CN)nn2)c1)[C@@H]1CCC[NH2+]1 ZINC000873243206 668067575 /nfs/dbraw/zinc/06/75/75/668067575.db2.gz JKKMWHSMEHSVMW-LRDDRELGSA-N 1 3 300.410 0.956 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873249351 668069055 /nfs/dbraw/zinc/06/90/55/668069055.db2.gz MQMRIMOTWLUJAW-NWDGAFQWSA-N 1 3 304.394 0.954 20 0 DCADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000875294880 668296088 /nfs/dbraw/zinc/29/60/88/668296088.db2.gz FFWPCOJTTLZTRV-STQMWFEESA-N 1 3 310.442 0.368 20 0 DCADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000875294880 668296093 /nfs/dbraw/zinc/29/60/93/668296093.db2.gz FFWPCOJTTLZTRV-STQMWFEESA-N 1 3 310.442 0.368 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCN1C ZINC000925342508 668300376 /nfs/dbraw/zinc/30/03/76/668300376.db2.gz MUTFOIYSHABXPJ-VHDGCEQUSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCN1C ZINC000925342508 668300378 /nfs/dbraw/zinc/30/03/78/668300378.db2.gz MUTFOIYSHABXPJ-VHDGCEQUSA-N 1 3 310.442 0.320 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000925417346 668315553 /nfs/dbraw/zinc/31/55/53/668315553.db2.gz ZMDUUUDESGOWHA-CVEARBPZSA-N 1 3 323.485 0.500 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000925417346 668315562 /nfs/dbraw/zinc/31/55/62/668315562.db2.gz ZMDUUUDESGOWHA-CVEARBPZSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CNCCOC1)N1CCN(c2ccccc2)CC1 ZINC000925545780 668328112 /nfs/dbraw/zinc/32/81/12/668328112.db2.gz KQDIOCPNSOKCLZ-IAGOWNOFSA-N 1 3 318.465 0.775 20 0 DCADHO CC(=O)N1CCN(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925548905 668328347 /nfs/dbraw/zinc/32/83/47/668328347.db2.gz VCCNSPFRFORPAW-MSOLQXFVSA-N 1 3 322.497 0.908 20 0 DCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000925620944 668337192 /nfs/dbraw/zinc/33/71/92/668337192.db2.gz DTSGLVXAWSWRQL-MQYQWHSLSA-N 1 3 315.483 0.634 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000925722860 668342579 /nfs/dbraw/zinc/34/25/79/668342579.db2.gz OAKSHJQIDMPMRT-MLGOLLRUSA-N 1 3 300.410 0.956 20 0 DCADHO CNS(=O)(=O)CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925726637 668343466 /nfs/dbraw/zinc/34/34/66/668343466.db2.gz VDPVUKYTYYWSGC-KGLIPLIRSA-N 1 3 303.472 0.684 20 0 DCADHO CNS(=O)(=O)CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925726637 668343470 /nfs/dbraw/zinc/34/34/70/668343470.db2.gz VDPVUKYTYYWSGC-KGLIPLIRSA-N 1 3 303.472 0.684 20 0 DCADHO Cc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)nc(N)n1 ZINC000764188385 668437528 /nfs/dbraw/zinc/43/75/28/668437528.db2.gz QIGVTYQDORIVFT-GXTWGEPZSA-N 1 3 304.442 0.829 20 0 DCADHO C[C@H]1CN(CCCN2CCOC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764464372 668448763 /nfs/dbraw/zinc/44/87/63/668448763.db2.gz CFCYPRVVEIGXSZ-HOTGVXAUSA-N 1 3 324.469 0.787 20 0 DCADHO C[C@@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)CN1CCN(C)CC1 ZINC000876781886 668510326 /nfs/dbraw/zinc/51/03/26/668510326.db2.gz KSAUHUACTZSNHJ-UXLLHSPISA-N 1 3 308.470 0.518 20 0 DCADHO CN1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CCC1(C)C ZINC000877206081 668576172 /nfs/dbraw/zinc/57/61/72/668576172.db2.gz BWJIPRXAWNJJDU-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO CC(C)[NH2+]CCC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877208396 668576644 /nfs/dbraw/zinc/57/66/44/668576644.db2.gz ZMMOWLJRBLNKIT-UHFFFAOYSA-N 1 3 316.409 0.730 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246841 668582812 /nfs/dbraw/zinc/58/28/12/668582812.db2.gz RFNXADKOWDIPDM-XQLPTFJDSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CC(C)(C)O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878326056 668713194 /nfs/dbraw/zinc/71/31/94/668713194.db2.gz VXARPPZCELNLST-OAGGEKHMSA-N 1 3 313.486 0.466 20 0 DCADHO O=S(=O)(N[C@H]1CCCCC12CC[NH2+]CC2)N1CCNCC1 ZINC000923670775 668717125 /nfs/dbraw/zinc/71/71/25/668717125.db2.gz GDXWQYVBJCTUHC-ZDUSSCGKSA-N 1 3 316.471 0.038 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)C3CC3)CC2)CC1 ZINC000778649107 668902418 /nfs/dbraw/zinc/90/24/18/668902418.db2.gz HKJFQHORHZZDEG-MRXNPFEDSA-N 1 3 324.469 0.615 20 0 DCADHO CN1CCN(CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1C(C)(C)C ZINC000878839805 668937907 /nfs/dbraw/zinc/93/79/07/668937907.db2.gz ZIMXYACJOQXICQ-OAHLLOKOSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCC3(COC3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930138165 668967347 /nfs/dbraw/zinc/96/73/47/668967347.db2.gz YKDYXZMFHDWFOK-IXDOHACOSA-N 1 3 323.481 0.892 20 0 DCADHO C[NH+]1CCC(OCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000931184255 669151319 /nfs/dbraw/zinc/15/13/19/669151319.db2.gz AHFYRVXNNQLPDI-ZFWWWQNUSA-N 1 3 311.426 0.077 20 0 DCADHO C[C@H]1CN(C[C@@H](O)Cn2cccn2)CCN1c1cc[nH+]cc1 ZINC000880262012 669182748 /nfs/dbraw/zinc/18/27/48/669182748.db2.gz RDAGSDIPFFWWCF-GOEBONIOSA-N 1 3 301.394 0.850 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000932018778 669300105 /nfs/dbraw/zinc/30/01/05/669300105.db2.gz YYVPJQWMDFPUJQ-DZKIICNBSA-N 1 3 313.442 0.898 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC000932018778 669300108 /nfs/dbraw/zinc/30/01/08/669300108.db2.gz YYVPJQWMDFPUJQ-DZKIICNBSA-N 1 3 313.442 0.898 20 0 DCADHO CN1C[C@@H]2C[N@@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C[C@]2(C)C1 ZINC000933740580 669530225 /nfs/dbraw/zinc/53/02/25/669530225.db2.gz LPXXBGXTCDKSBQ-KMFMINBZSA-N 1 3 317.437 0.799 20 0 DCADHO CN1C[C@@H]2C[N@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C[C@]2(C)C1 ZINC000933740580 669530229 /nfs/dbraw/zinc/53/02/29/669530229.db2.gz LPXXBGXTCDKSBQ-KMFMINBZSA-N 1 3 317.437 0.799 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000883645846 669723982 /nfs/dbraw/zinc/72/39/82/669723982.db2.gz YONUQARGOLSVBI-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCN(CCNC(=S)NCCC[NH+](C)C)CC1(C)C ZINC000799510205 670063918 /nfs/dbraw/zinc/06/39/18/670063918.db2.gz XTKVXNOYYQCIRI-UHFFFAOYSA-N 1 3 315.531 0.428 20 0 DCADHO C[C@H](NC1CC[NH+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813322547 670620445 /nfs/dbraw/zinc/62/04/45/670620445.db2.gz DWQQJAVDEXTSAW-JTQLQIEISA-N 1 3 302.378 0.961 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccn(CC)c1=O ZINC000849023588 670751517 /nfs/dbraw/zinc/75/15/17/670751517.db2.gz JWXBQWUNWVMMJL-CQSZACIVSA-N 1 3 305.426 0.966 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000849049708 670756362 /nfs/dbraw/zinc/75/63/62/670756362.db2.gz KLNHNBZJNAFKBB-OLZOCXBDSA-N 1 3 309.414 0.568 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC2CC([NH+](C)C)C2)cn1 ZINC000849614064 670826825 /nfs/dbraw/zinc/82/68/25/670826825.db2.gz WOOICULWJLJMCP-CKUJCDMFSA-N 1 3 319.453 0.664 20 0 DCADHO CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000817927181 670953495 /nfs/dbraw/zinc/95/34/95/670953495.db2.gz YXUUOJJHIBVKAN-UHFFFAOYSA-N 1 3 320.437 0.036 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000851658009 671005996 /nfs/dbraw/zinc/00/59/96/671005996.db2.gz SXERUDSNJLNQGL-CMPLNLGQSA-N 1 3 322.413 0.313 20 0 DCADHO [NH3+]C[C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000851676791 671010617 /nfs/dbraw/zinc/01/06/17/671010617.db2.gz NLVXYDRAVDEBEY-UKRRQHHQSA-N 1 3 310.442 0.620 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(C[C@H](O)c2ccccn2)CC1 ZINC000851836847 671043838 /nfs/dbraw/zinc/04/38/38/671043838.db2.gz QWXPMUNTMFRJEP-INIZCTEOSA-N 1 3 320.437 0.505 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884100 671184926 /nfs/dbraw/zinc/18/49/26/671184926.db2.gz DPNMOEUWNCKXSG-INWMFGNUSA-N 1 3 316.405 0.727 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc(C(=O)N(C)C)c1 ZINC000853773348 671265618 /nfs/dbraw/zinc/26/56/18/671265618.db2.gz ARCPOOMNRMMWQE-AWEZNQCLSA-N 1 3 321.469 0.889 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc(C(=O)N(C)C)c1 ZINC000853773348 671265622 /nfs/dbraw/zinc/26/56/22/671265622.db2.gz ARCPOOMNRMMWQE-AWEZNQCLSA-N 1 3 321.469 0.889 20 0 DCADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)[C@@H]2C1 ZINC000824302906 671427339 /nfs/dbraw/zinc/42/73/39/671427339.db2.gz IWCYRQDUGJQMPJ-CAOSSQGBSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)[C@@H]2C1 ZINC000824302906 671427340 /nfs/dbraw/zinc/42/73/40/671427340.db2.gz IWCYRQDUGJQMPJ-CAOSSQGBSA-N 1 3 322.453 0.585 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000842015263 671974243 /nfs/dbraw/zinc/97/42/43/671974243.db2.gz JMRKZRWJMKXDKY-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842016053 671974522 /nfs/dbraw/zinc/97/45/22/671974522.db2.gz RBBHAOCEGFUZLJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)N1CCCCC1 ZINC000842015974 671974874 /nfs/dbraw/zinc/97/48/74/671974874.db2.gz PVSVMPLJMPNKOL-WLYUNCDWSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000842174253 671989368 /nfs/dbraw/zinc/98/93/68/671989368.db2.gz CWBUHLHKVQEFJM-WLYUNCDWSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000846363411 672309903 /nfs/dbraw/zinc/30/99/03/672309903.db2.gz OCCPULVMMLALNB-AWEZNQCLSA-N 1 3 310.442 0.128 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCC[C@@H](C)C1)C2 ZINC000903493911 685465198 /nfs/dbraw/zinc/46/51/98/685465198.db2.gz ZZTYXPJQHXBFFY-OEUWWYETSA-N 1 3 323.437 0.457 20 0 DCADHO O[C@H](C[NH2+]CCn1cc(Br)cn1)CN1CCCC1 ZINC000385979490 685248287 /nfs/dbraw/zinc/24/82/87/685248287.db2.gz QXDHVBLNICYZPW-GFCCVEGCSA-N 1 3 317.231 0.692 20 0 DCADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CCO ZINC001037950037 693973536 /nfs/dbraw/zinc/97/35/36/693973536.db2.gz NRIJWLZLHSKYMF-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954318406 685990988 /nfs/dbraw/zinc/99/09/88/685990988.db2.gz SQYCZGHNILHYOZ-HIFRSBDPSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954318406 685990992 /nfs/dbraw/zinc/99/09/92/685990992.db2.gz SQYCZGHNILHYOZ-HIFRSBDPSA-N 1 3 324.469 0.194 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954324312 685994884 /nfs/dbraw/zinc/99/48/84/685994884.db2.gz MTRYRJZMFVHCSU-CQSZACIVSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954324312 685994886 /nfs/dbraw/zinc/99/48/86/685994886.db2.gz MTRYRJZMFVHCSU-CQSZACIVSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000954323617 685995316 /nfs/dbraw/zinc/99/53/16/685995316.db2.gz DSAMHKJJQNNFQJ-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000954323617 685995317 /nfs/dbraw/zinc/99/53/17/685995317.db2.gz DSAMHKJJQNNFQJ-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCCCN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539195 694110195 /nfs/dbraw/zinc/11/01/95/694110195.db2.gz ZUYZVIXXYBNJRF-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CCCCN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539195 694110199 /nfs/dbraw/zinc/11/01/99/694110199.db2.gz ZUYZVIXXYBNJRF-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCF)C1 ZINC001038628427 694138012 /nfs/dbraw/zinc/13/80/12/694138012.db2.gz QTSMFMBLMUBFAK-KBPBESRZSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)C1 ZINC001038628427 694138014 /nfs/dbraw/zinc/13/80/14/694138014.db2.gz QTSMFMBLMUBFAK-KBPBESRZSA-N 1 3 301.406 0.646 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCC[C@H]2CN[C@@H]2CCNC2=O)CC1 ZINC000960115999 688304313 /nfs/dbraw/zinc/30/43/13/688304313.db2.gz LKZSREZJSKMKLW-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O)N(C)C ZINC000960137409 688309226 /nfs/dbraw/zinc/30/92/26/688309226.db2.gz VIHHZRFLCFHHJA-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCCCN2C(=O)CN2CCCC2)C1=O ZINC000960215452 688326536 /nfs/dbraw/zinc/32/65/36/688326536.db2.gz HVJQSKHKLCNHIB-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1 ZINC000962305662 688878672 /nfs/dbraw/zinc/87/86/72/688878672.db2.gz KEHGZVHKHUHMEB-HSBZDZAISA-N 1 3 320.441 0.284 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCO)C1 ZINC000963367836 689042168 /nfs/dbraw/zinc/04/21/68/689042168.db2.gz TZVUHBTZXDLZBY-HIFRSBDPSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCO)C1 ZINC000963367836 689042170 /nfs/dbraw/zinc/04/21/70/689042170.db2.gz TZVUHBTZXDLZBY-HIFRSBDPSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H]1CCN(CCCO)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967202567 689957664 /nfs/dbraw/zinc/95/76/64/689957664.db2.gz BZVIQPPUVNKBED-GJZGRUSLSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(N[C@H]1CCN(CCCO)C1)C1CC[NH+](CC2CC2)CC1 ZINC001015970407 692529240 /nfs/dbraw/zinc/52/92/40/692529240.db2.gz MGPSAUSLMNZPIG-INIZCTEOSA-N 1 3 309.454 0.681 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016652571 692739984 /nfs/dbraw/zinc/73/99/84/692739984.db2.gz UOAMTWYNUGHWFA-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@@H+](CCCO)C2 ZINC001040422527 694549282 /nfs/dbraw/zinc/54/92/82/694549282.db2.gz NGPMFULDOBDOBA-INIZCTEOSA-N 1 3 306.410 0.649 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@H+](CCCO)C2 ZINC001040422527 694549285 /nfs/dbraw/zinc/54/92/85/694549285.db2.gz NGPMFULDOBDOBA-INIZCTEOSA-N 1 3 306.410 0.649 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCCO)CC3)C1 ZINC001016818421 692778209 /nfs/dbraw/zinc/77/82/09/692778209.db2.gz DMHHKVNVILHNBI-LSDHHAIUSA-N 1 3 309.454 0.681 20 0 DCADHO CN1CCC[C@@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019325119 693433163 /nfs/dbraw/zinc/43/31/63/693433163.db2.gz LDTAZSNNGJVPBB-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001019380963 693454742 /nfs/dbraw/zinc/45/47/42/693454742.db2.gz UANNMTACYXNGNT-GJZGRUSLSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001019383114 693455693 /nfs/dbraw/zinc/45/56/93/693455693.db2.gz WKOXDIFURTXOHN-ZBFHGGJFSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3ccnn3C)C2)C1 ZINC001019382679 693456540 /nfs/dbraw/zinc/45/65/40/693456540.db2.gz GZACYQKTEXRXRG-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3ccnn3C)C2)C1 ZINC001019382679 693456545 /nfs/dbraw/zinc/45/65/45/693456545.db2.gz GZACYQKTEXRXRG-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001019652511 693554512 /nfs/dbraw/zinc/55/45/12/693554512.db2.gz OTGPMHOWXMIZRE-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001019652511 693554519 /nfs/dbraw/zinc/55/45/19/693554519.db2.gz OTGPMHOWXMIZRE-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001019660992 693559382 /nfs/dbraw/zinc/55/93/82/693559382.db2.gz QHIFRZYWZJVBEL-YPMHNXCESA-N 1 3 318.425 0.460 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001019820591 693597171 /nfs/dbraw/zinc/59/71/71/693597171.db2.gz PXFUXQQTKJTERD-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001019820591 693597172 /nfs/dbraw/zinc/59/71/72/693597172.db2.gz PXFUXQQTKJTERD-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072677388 694651337 /nfs/dbraw/zinc/65/13/37/694651337.db2.gz OVXGXPJCMQZRIR-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](CC1CCOCC1)C2 ZINC001073016186 694694775 /nfs/dbraw/zinc/69/47/75/694694775.db2.gz MRCFEOGVFZSZCK-UHFFFAOYSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](CC1CCOCC1)C2 ZINC001073016186 694694776 /nfs/dbraw/zinc/69/47/76/694694776.db2.gz MRCFEOGVFZSZCK-UHFFFAOYSA-N 1 3 318.421 0.913 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001076596730 695031428 /nfs/dbraw/zinc/03/14/28/695031428.db2.gz NTBHOJIKQQGORX-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001076596730 695031429 /nfs/dbraw/zinc/03/14/29/695031429.db2.gz NTBHOJIKQQGORX-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001691479594 1157798559 /nfs/dbraw/zinc/79/85/59/1157798559.db2.gz YUMZZOYQDXLKJU-STQMWFEESA-N 1 3 308.430 0.154 20 0 DCADHO CN(C)[C@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)Cc1ccccc1 ZINC001648962064 1158188947 /nfs/dbraw/zinc/18/89/47/1158188947.db2.gz LAEOIOHUNNVHRA-WMZOPIPTSA-N 1 3 319.449 0.780 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691555404 1158338823 /nfs/dbraw/zinc/33/88/23/1158338823.db2.gz CXBXJKGXECBROK-AWEZNQCLSA-N 1 3 307.442 0.618 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691555404 1158338830 /nfs/dbraw/zinc/33/88/30/1158338830.db2.gz CXBXJKGXECBROK-AWEZNQCLSA-N 1 3 307.442 0.618 20 0 DCADHO CCNC(=O)C[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001691703980 1158911965 /nfs/dbraw/zinc/91/19/65/1158911965.db2.gz IUQDTUOEISCBDB-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001691703980 1158911969 /nfs/dbraw/zinc/91/19/69/1158911969.db2.gz IUQDTUOEISCBDB-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001445956199 1159323763 /nfs/dbraw/zinc/32/37/63/1159323763.db2.gz TXWLLPUCTIVFRK-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001447648765 1159677378 /nfs/dbraw/zinc/67/73/78/1159677378.db2.gz BBLBSFUWDJYHTB-YNEHKIRRSA-N 1 3 300.447 0.288 20 0 DCADHO Cc1noc(CCC[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)n1 ZINC001567023503 1160211608 /nfs/dbraw/zinc/21/16/08/1160211608.db2.gz VVDHZUVRPQYSCA-GFCCVEGCSA-N 1 3 323.441 0.889 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001567107236 1160242787 /nfs/dbraw/zinc/24/27/87/1160242787.db2.gz XKGFHSJQFMAZOM-QWHCGFSZSA-N 1 3 319.396 0.943 20 0 DCADHO CC(C)N(CCCNC(=O)C12CCC[NH+]1CCC2)CC(N)=O ZINC001567645245 1160447542 /nfs/dbraw/zinc/44/75/42/1160447542.db2.gz NTEIHJNDKSQINM-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2cnnn2C)CC[N@@H+]1C ZINC001568633577 1160715801 /nfs/dbraw/zinc/71/58/01/1160715801.db2.gz INAYKJBCFVCVJH-VHDGCEQUSA-N 1 3 322.457 0.530 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCNCc2cnnn2C)CC[N@H+]1C ZINC001568633577 1160715807 /nfs/dbraw/zinc/71/58/07/1160715807.db2.gz INAYKJBCFVCVJH-VHDGCEQUSA-N 1 3 322.457 0.530 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568776114 1160769671 /nfs/dbraw/zinc/76/96/71/1160769671.db2.gz XNPCUNHIQXTFIJ-HNNXBMFYSA-N 1 3 316.421 0.122 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568776114 1160769677 /nfs/dbraw/zinc/76/96/77/1160769677.db2.gz XNPCUNHIQXTFIJ-HNNXBMFYSA-N 1 3 316.421 0.122 20 0 DCADHO CCN(CC[NH2+]CCc1ccnn1C)C(=O)Cc1c[nH]cn1 ZINC001568778766 1160770939 /nfs/dbraw/zinc/77/09/39/1160770939.db2.gz HYSJQRHGQVXTPG-UHFFFAOYSA-N 1 3 304.398 0.367 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001569270007 1160998839 /nfs/dbraw/zinc/99/88/39/1160998839.db2.gz HAIXGGQGWOHXLQ-CQSZACIVSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001569267433 1160999286 /nfs/dbraw/zinc/99/92/86/1160999286.db2.gz VFIXGYISPJNDQO-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCn1cccn1)N(C)C ZINC001569562285 1161149053 /nfs/dbraw/zinc/14/90/53/1161149053.db2.gz JMMWPSNEIJVKIR-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001575139590 1163914745 /nfs/dbraw/zinc/91/47/45/1163914745.db2.gz NPARJKRACJAWLH-WBMJQRKESA-N 1 3 308.426 0.874 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1c[nH]nn1)[NH+]1CCCC1 ZINC001575327760 1163976585 /nfs/dbraw/zinc/97/65/85/1163976585.db2.gz HLGVPIRQFAMXNH-UKRRQHHQSA-N 1 3 322.457 0.862 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2c[nH]nn2)C1 ZINC001575384835 1163994695 /nfs/dbraw/zinc/99/46/95/1163994695.db2.gz FKXOUUAQUQOEMZ-DZGCQCFKSA-N 1 3 320.441 0.616 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2c[nH]nn2)C1 ZINC001575384835 1163994697 /nfs/dbraw/zinc/99/46/97/1163994697.db2.gz FKXOUUAQUQOEMZ-DZGCQCFKSA-N 1 3 320.441 0.616 20 0 DCADHO CC(C)[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CC1C[NH2+]C1 ZINC001575498057 1164038392 /nfs/dbraw/zinc/03/83/92/1164038392.db2.gz HZUZNHPOAAGXFX-LSDHHAIUSA-N 1 3 315.483 0.730 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCCN1C)[NH2+]CCc1cn[nH]n1 ZINC001575531083 1164049847 /nfs/dbraw/zinc/04/98/47/1164049847.db2.gz FZHICTGGBZLBIT-GXTWGEPZSA-N 1 3 308.430 0.316 20 0 DCADHO CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576821701 1164482945 /nfs/dbraw/zinc/48/29/45/1164482945.db2.gz HXWLTLCJGIMDKN-LSDHHAIUSA-N 1 3 320.441 0.412 20 0 DCADHO CN(CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CCc1cn[nH]n1 ZINC001576821701 1164482950 /nfs/dbraw/zinc/48/29/50/1164482950.db2.gz HXWLTLCJGIMDKN-LSDHHAIUSA-N 1 3 320.441 0.412 20 0 DCADHO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cnccc2N)CC1 ZINC001576853119 1164497875 /nfs/dbraw/zinc/49/78/75/1164497875.db2.gz HBKDPUMWHYJBKO-GFCCVEGCSA-N 1 3 304.394 0.819 20 0 DCADHO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cnccc2N)CC1 ZINC001576853119 1164497878 /nfs/dbraw/zinc/49/78/78/1164497878.db2.gz HBKDPUMWHYJBKO-GFCCVEGCSA-N 1 3 304.394 0.819 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNCc2cn[nH]n2)CC1 ZINC001576879648 1164512852 /nfs/dbraw/zinc/51/28/52/1164512852.db2.gz OEVKLVVPQABBHV-CQSZACIVSA-N 1 3 306.414 0.227 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNCc2c[nH]nn2)CC1 ZINC001576879648 1164512860 /nfs/dbraw/zinc/51/28/60/1164512860.db2.gz OEVKLVVPQABBHV-CQSZACIVSA-N 1 3 306.414 0.227 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(CCc3cn[nH]n3)C2)C1 ZINC001576878165 1164513073 /nfs/dbraw/zinc/51/30/73/1164513073.db2.gz ZAECKKCAGRCFLO-CJNGLKHVSA-N 1 3 320.441 0.270 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(CCc3cn[nH]n3)C2)C1 ZINC001576878165 1164513081 /nfs/dbraw/zinc/51/30/81/1164513081.db2.gz ZAECKKCAGRCFLO-CJNGLKHVSA-N 1 3 320.441 0.270 20 0 DCADHO C[C@@H]1NC(=O)N(CCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC001576878473 1164513124 /nfs/dbraw/zinc/51/31/24/1164513124.db2.gz HTMGRSMBZPBGTH-IACUBPJLSA-N 1 3 324.425 0.145 20 0 DCADHO CC[C@H](CN1CCOCC1)N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001577084747 1164598726 /nfs/dbraw/zinc/59/87/26/1164598726.db2.gz GXXSPGKSTIAJSC-WCXIOVBPSA-N 1 3 311.470 0.844 20 0 DCADHO CN(C)C1(C(=O)NCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001577117067 1164606553 /nfs/dbraw/zinc/60/65/53/1164606553.db2.gz VLVCQCUZEVGROU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001577117067 1164606557 /nfs/dbraw/zinc/60/65/57/1164606557.db2.gz VLVCQCUZEVGROU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001577213015 1164635646 /nfs/dbraw/zinc/63/56/46/1164635646.db2.gz SYBSQQMYUULHJB-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1C[C@H](C[NH2+]C[C@H](CN)Cc2cnn(C)c2C)CC1=O ZINC001577530873 1164715779 /nfs/dbraw/zinc/71/57/79/1164715779.db2.gz PDZIIADJLGIULE-GJZGRUSLSA-N 1 3 321.469 0.694 20 0 DCADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC001577939778 1164853869 /nfs/dbraw/zinc/85/38/69/1164853869.db2.gz QZNFAQZPCQSCLN-JGVFFNPUSA-N 1 3 320.333 0.479 20 0 DCADHO CN(C)[C@H](CNC(=O)N1CC2(C[NH2+]C2)C1)Cc1ccccc1 ZINC001578406462 1165002314 /nfs/dbraw/zinc/00/23/14/1165002314.db2.gz SUUQQPPGVKLMPL-HNNXBMFYSA-N 1 3 302.422 0.774 20 0 DCADHO CN1C[C@@H]2CCN(C(=O)c3ncoc3C3CC[NH2+]CC3)[C@@H]2C1 ZINC001578523298 1165040578 /nfs/dbraw/zinc/04/05/78/1165040578.db2.gz LAAQRIUHIQVUHP-QWHCGFSZSA-N 1 3 304.394 0.918 20 0 DCADHO CN1C[C@H]2CCN(C(=O)c3ncoc3C3CC[NH2+]CC3)[C@H]2C1 ZINC001578523297 1165041537 /nfs/dbraw/zinc/04/15/37/1165041537.db2.gz LAAQRIUHIQVUHP-OLZOCXBDSA-N 1 3 304.394 0.918 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001578640138 1165073785 /nfs/dbraw/zinc/07/37/85/1165073785.db2.gz FPGYACHPEWWIMW-XJKSGUPXSA-N 1 3 323.437 0.919 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001578647230 1165077707 /nfs/dbraw/zinc/07/77/07/1165077707.db2.gz USTPFOVNFFKEQA-YCPHGPKFSA-N 1 3 307.438 0.840 20 0 DCADHO COC[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001578970057 1165172565 /nfs/dbraw/zinc/17/25/65/1165172565.db2.gz JNRKFVOMTUNYHP-HOCLYGCPSA-N 1 3 323.441 0.734 20 0 DCADHO COCC[C@@H](N)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001579002247 1165184838 /nfs/dbraw/zinc/18/48/38/1165184838.db2.gz PCEMRYYWAOCBQC-FFHGMXDLSA-N 1 3 312.458 0.023 20 0 DCADHO COCCN1CCC(NC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC001579038790 1165193781 /nfs/dbraw/zinc/19/37/81/1165193781.db2.gz OCBLSEACHGBRLU-UHFFFAOYSA-N 1 3 300.447 0.914 20 0 DCADHO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001579119296 1165214350 /nfs/dbraw/zinc/21/43/50/1165214350.db2.gz HFWZAMKLZJMQRE-HZPDHXFCSA-N 1 3 324.469 0.881 20 0 DCADHO CS(=O)(=O)N1CC(CN2C[C@@H]3CCCC[C@]3(C[NH3+])C2)C1 ZINC001579342178 1165278550 /nfs/dbraw/zinc/27/85/50/1165278550.db2.gz IZZKXTDCUSEMMT-KBPBESRZSA-N 1 3 301.456 0.329 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC001580175160 1165527371 /nfs/dbraw/zinc/52/73/71/1165527371.db2.gz CMPSWLKFXLFQGL-MCIONIFRSA-N 1 3 301.456 0.662 20 0 DCADHO NCc1ncc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)cn1 ZINC001580356672 1165582643 /nfs/dbraw/zinc/58/26/43/1165582643.db2.gz NKKJHVPEOBROQS-OAHLLOKOSA-N 1 3 311.389 0.592 20 0 DCADHO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001580478842 1165615696 /nfs/dbraw/zinc/61/56/96/1165615696.db2.gz GYIYSVVCBIEGGJ-MPTYRVRUSA-N 1 3 307.438 0.434 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCN1C1CCOCC1 ZINC001580556724 1165638331 /nfs/dbraw/zinc/63/83/31/1165638331.db2.gz WHBFMWZFIUBDEV-CABCVRRESA-N 1 3 311.426 0.125 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001580556724 1165638332 /nfs/dbraw/zinc/63/83/32/1165638332.db2.gz WHBFMWZFIUBDEV-CABCVRRESA-N 1 3 311.426 0.125 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001580556724 1165638335 /nfs/dbraw/zinc/63/83/35/1165638335.db2.gz WHBFMWZFIUBDEV-CABCVRRESA-N 1 3 311.426 0.125 20 0 DCADHO O=C(N[C@@H]1CCCN(CCCO)C1)c1cccc2c1CC[NH2+]C2 ZINC001580606994 1165654226 /nfs/dbraw/zinc/65/42/26/1165654226.db2.gz HAVAOYJXTYQBOW-OAHLLOKOSA-N 1 3 317.433 0.909 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001580660380 1165678504 /nfs/dbraw/zinc/67/85/04/1165678504.db2.gz AUMBKEBISXACOB-CTASWTNQSA-N 1 3 308.426 0.433 20 0 DCADHO Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@H]1CN(C)CCO1 ZINC001645583653 1172064992 /nfs/dbraw/zinc/06/49/92/1172064992.db2.gz KEJXRSOUSMZWIZ-CQSZACIVSA-N 1 3 301.350 0.845 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001646549439 1172421298 /nfs/dbraw/zinc/42/12/98/1172421298.db2.gz NPYAXXQDYYUSEY-GZBFAFLISA-N 1 3 310.442 0.666 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCCCN3C)C[C@H]2[NH3+])cn1 ZINC001646575247 1172428589 /nfs/dbraw/zinc/42/85/89/1172428589.db2.gz WORFFFAJKPPGNH-SOUVJXGZSA-N 1 3 320.441 0.341 20 0 DCADHO [NH3+]CCc1ccc2c(c1)CCCN2C(=O)C[C@@H]1CNCCO1 ZINC001646828484 1172554444 /nfs/dbraw/zinc/55/44/44/1172554444.db2.gz UFAZHCDXDFSUEQ-OAHLLOKOSA-N 1 3 303.406 0.846 20 0 DCADHO O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001646835868 1172558250 /nfs/dbraw/zinc/55/82/50/1172558250.db2.gz GKZOYQJCFOSRSV-IRXDYDNUSA-N 1 3 315.417 0.961 20 0 DCADHO O=C1NCCN1C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001647548031 1172964704 /nfs/dbraw/zinc/96/47/04/1172964704.db2.gz SZSNHQFAWYRKNM-HOCLYGCPSA-N 1 3 308.426 0.245 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[C@H]1C[NH3+] ZINC001647561571 1172972700 /nfs/dbraw/zinc/97/27/00/1172972700.db2.gz VPWZRWPMKPDZKL-CBBWQLFWSA-N 1 3 310.442 0.476 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]([NH3+])C3CCCCC3)C2)nn1 ZINC001649856604 1173264052 /nfs/dbraw/zinc/26/40/52/1173264052.db2.gz YYXHAQQATVPERW-CABCVRRESA-N 1 3 320.441 0.808 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)C2([S@](C)=O)CC[NH2+]CC2)CCN1C ZINC001649962654 1173342777 /nfs/dbraw/zinc/34/27/77/1173342777.db2.gz YLBOGSXLOFDKDR-BHVCSQLQSA-N 1 3 315.483 0.428 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@@H]1C[NH3+] ZINC001650172847 1173497132 /nfs/dbraw/zinc/49/71/32/1173497132.db2.gz KMJMLUPOFYIBPL-FMKPAKJESA-N 1 3 324.469 0.866 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@@H](N)C1CCCCC1)C2 ZINC001650391124 1173612075 /nfs/dbraw/zinc/61/20/75/1173612075.db2.gz VBEUVILOHJSQIX-LOUJCGABSA-N 1 3 323.437 0.633 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001650441236 1173642026 /nfs/dbraw/zinc/64/20/26/1173642026.db2.gz DROFFJVAZRVUSU-UGFHNGPFSA-N 1 3 311.401 0.761 20 0 DCADHO CN1CCN(c2ncc(CNCC[NH+]3CCCC3)cn2)CC1 ZINC001656653014 1173873422 /nfs/dbraw/zinc/87/34/22/1173873422.db2.gz SFTUGBAHQOOHFW-UHFFFAOYSA-N 1 3 304.442 0.414 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCCF)C1)N(C)C ZINC001673283803 1173938147 /nfs/dbraw/zinc/93/81/47/1173938147.db2.gz CCOMXLHPEFMYIU-KGLIPLIRSA-N 1 3 303.422 0.749 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001661378462 1174120583 /nfs/dbraw/zinc/12/05/83/1174120583.db2.gz QMNGOEKSADXUBO-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+](CCOCCO)CC1 ZINC001673406630 1174242091 /nfs/dbraw/zinc/24/20/91/1174242091.db2.gz HHGIOLFYLQAAGW-OAHLLOKOSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+](CCOCCO)CC1 ZINC001673406630 1174242097 /nfs/dbraw/zinc/24/20/97/1174242097.db2.gz HHGIOLFYLQAAGW-OAHLLOKOSA-N 1 3 315.458 0.306 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)Cc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001663855847 1174362716 /nfs/dbraw/zinc/36/27/16/1174362716.db2.gz JMTWMJMKPTVVDJ-DLBZAZTESA-N 1 3 319.449 0.732 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001668430716 1174795758 /nfs/dbraw/zinc/79/57/58/1174795758.db2.gz CNHPYVLOZVVTKN-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001668430716 1174795763 /nfs/dbraw/zinc/79/57/63/1174795763.db2.gz CNHPYVLOZVVTKN-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CCN(CC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001668566582 1174809097 /nfs/dbraw/zinc/80/90/97/1174809097.db2.gz KCXHQKCYSHQGQA-CZUORRHYSA-N 1 3 306.410 0.817 20 0 DCADHO CCN(CC[NH2+]C[C@H]1C[C@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001668566581 1174809421 /nfs/dbraw/zinc/80/94/21/1174809421.db2.gz KCXHQKCYSHQGQA-CJNGLKHVSA-N 1 3 306.410 0.817 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001668566583 1174809562 /nfs/dbraw/zinc/80/95/62/1174809562.db2.gz KCXHQKCYSHQGQA-XJKSGUPXSA-N 1 3 306.410 0.817 20 0 DCADHO CCN1CC[C@@H](NC/C=C\CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001669001063 1174875663 /nfs/dbraw/zinc/87/56/63/1174875663.db2.gz KEZQXOLQYYEGMF-GEXIGZQTSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cncn1C)N(C)C ZINC001670237806 1174994456 /nfs/dbraw/zinc/99/44/56/1174994456.db2.gz XDBMLKJRRDLEMM-OAHLLOKOSA-N 1 3 309.458 0.944 20 0 DCADHO CC1CC(C[NH2+]CCN(CCO)C(=O)C2(N(C)C)CCC2)C1 ZINC001672627664 1175135089 /nfs/dbraw/zinc/13/50/89/1175135089.db2.gz QGZSDPACYSCKLJ-UHFFFAOYSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001672815255 1175154885 /nfs/dbraw/zinc/15/48/85/1175154885.db2.gz FKVQXBORMFWBEG-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001673923673 1175241587 /nfs/dbraw/zinc/24/15/87/1175241587.db2.gz NDGBMCXWJFXBNI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001687095299 1176276272 /nfs/dbraw/zinc/27/62/72/1176276272.db2.gz KYMGGTZVDRDLGX-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001687095299 1176276277 /nfs/dbraw/zinc/27/62/77/1176276277.db2.gz KYMGGTZVDRDLGX-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+]1CCC(C(=O)NC/C=C/CNC(=O)CN2CCCC2)CC1 ZINC001689338932 1176831826 /nfs/dbraw/zinc/83/18/26/1176831826.db2.gz GXZZNCFURAVGBL-NSCUHMNNSA-N 1 3 322.453 0.213 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001689362359 1176843933 /nfs/dbraw/zinc/84/39/33/1176843933.db2.gz XZCKHQPSINTQCN-YVACAVLKSA-N 1 3 324.469 0.600 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001689362359 1176843944 /nfs/dbraw/zinc/84/39/44/1176843944.db2.gz XZCKHQPSINTQCN-YVACAVLKSA-N 1 3 324.469 0.600 20 0 DCADHO CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124410222 1177132692 /nfs/dbraw/zinc/13/26/92/1177132692.db2.gz QHANPAFMSOATJH-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)CCCC[NH+](C)C)N[C@@H]1CCCN(C)C1=O ZINC001690639981 1177292043 /nfs/dbraw/zinc/29/20/43/1177292043.db2.gz JEUNFASWQOVKSK-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001690751480 1177318101 /nfs/dbraw/zinc/31/81/01/1177318101.db2.gz LVNPAKVXSLTDHI-HZPDHXFCSA-N 1 3 321.469 0.741 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001692131622 1177422579 /nfs/dbraw/zinc/42/25/79/1177422579.db2.gz GAEJPAJSHNWSFM-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCN1CCCC1=O ZINC001698768421 1177643766 /nfs/dbraw/zinc/64/37/66/1177643766.db2.gz OOZUTMCZMSSYLQ-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001698923596 1177722238 /nfs/dbraw/zinc/72/22/38/1177722238.db2.gz PWZDOXIVCISTKC-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CCc2cnn(C)c2)CCC1 ZINC001699259483 1178000223 /nfs/dbraw/zinc/00/02/23/1178000223.db2.gz DDQRPNGIZQNJLR-PLNGDYQASA-N 1 3 319.453 0.709 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNCC(=O)N1CCC1)[NH+](C)C ZINC001699305068 1178048872 /nfs/dbraw/zinc/04/88/72/1178048872.db2.gz ZTGPSGUZGKVUSJ-IYKSTZQJSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1)C(N)=O ZINC001699765661 1178279652 /nfs/dbraw/zinc/27/96/52/1178279652.db2.gz FYUVVIXOWCFBHL-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC/C=C/Cl)C1 ZINC001700042422 1178455586 /nfs/dbraw/zinc/45/55/86/1178455586.db2.gz QCUXMTBRBGPCKS-OHVSUOQFSA-N 1 3 303.834 0.491 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC/C=C/Cl)C1 ZINC001700042422 1178455591 /nfs/dbraw/zinc/45/55/91/1178455591.db2.gz QCUXMTBRBGPCKS-OHVSUOQFSA-N 1 3 303.834 0.491 20 0 DCADHO CN(CCOC(=O)N(C)C)CCN(C)C1CC[NH+](C)CC1 ZINC000159602054 1180566239 /nfs/dbraw/zinc/56/62/39/1180566239.db2.gz HPQJDBHSYDPBAA-UHFFFAOYSA-N 1 3 300.447 0.642 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001713364167 1180786199 /nfs/dbraw/zinc/78/61/99/1180786199.db2.gz JKIQBIUGFDVZNR-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCOCC2CC2)C1 ZINC001713363846 1180786344 /nfs/dbraw/zinc/78/63/44/1180786344.db2.gz DKZRFUXOQPQLBU-MRXNPFEDSA-N 1 3 309.454 0.947 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713590942 1180948247 /nfs/dbraw/zinc/94/82/47/1180948247.db2.gz VUYHFQOUZFDYBQ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001713590942 1180948257 /nfs/dbraw/zinc/94/82/57/1180948257.db2.gz VUYHFQOUZFDYBQ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001713590503 1180949051 /nfs/dbraw/zinc/94/90/51/1180949051.db2.gz HBDHNSMBZVDFDC-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001713590503 1180949054 /nfs/dbraw/zinc/94/90/54/1180949054.db2.gz HBDHNSMBZVDFDC-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cncn2C)CC[N@@H+]1C ZINC001713593775 1180952079 /nfs/dbraw/zinc/95/20/79/1180952079.db2.gz XUGIYMCNKJKIIV-LSDHHAIUSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cncn2C)CC[N@H+]1C ZINC001713593775 1180952087 /nfs/dbraw/zinc/95/20/87/1180952087.db2.gz XUGIYMCNKJKIIV-LSDHHAIUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001713634343 1180982466 /nfs/dbraw/zinc/98/24/66/1180982466.db2.gz PVSYKGAHUUBZDJ-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001714724488 1181508386 /nfs/dbraw/zinc/50/83/86/1181508386.db2.gz OWTLDQWTPWVYND-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001714724488 1181508391 /nfs/dbraw/zinc/50/83/91/1181508391.db2.gz OWTLDQWTPWVYND-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCCN2CCCC2=O)C1 ZINC001714758143 1181528290 /nfs/dbraw/zinc/52/82/90/1181528290.db2.gz XRLNGDQYSRRPDU-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001715153223 1181703092 /nfs/dbraw/zinc/70/30/92/1181703092.db2.gz HKAXAENZQYMDPO-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001715327041 1181775253 /nfs/dbraw/zinc/77/52/53/1181775253.db2.gz RWRXZNNLXUESPX-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715776657 1181990649 /nfs/dbraw/zinc/99/06/49/1181990649.db2.gz ZBGAYPHHISBRQN-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001715859970 1182057448 /nfs/dbraw/zinc/05/74/48/1182057448.db2.gz DGNWZWAKTPTXBJ-XNZLPNGMSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001715859970 1182057451 /nfs/dbraw/zinc/05/74/51/1182057451.db2.gz DGNWZWAKTPTXBJ-XNZLPNGMSA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001716550155 1182437286 /nfs/dbraw/zinc/43/72/86/1182437286.db2.gz TZPKGIPWGDJYNY-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)CN2CCCC2)C1=O ZINC001716586083 1182457184 /nfs/dbraw/zinc/45/71/84/1182457184.db2.gz WULRFYJHAFLFMB-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)OCCN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717775831 1182994723 /nfs/dbraw/zinc/99/47/23/1182994723.db2.gz QBPHRJCBNAWQMF-SOUVJXGZSA-N 1 3 315.458 0.208 20 0 DCADHO CC(C)OCCN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717775831 1182994724 /nfs/dbraw/zinc/99/47/24/1182994724.db2.gz QBPHRJCBNAWQMF-SOUVJXGZSA-N 1 3 315.458 0.208 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001720520539 1183637783 /nfs/dbraw/zinc/63/77/83/1183637783.db2.gz FIVMOKIIKNZHRZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001720520539 1183637786 /nfs/dbraw/zinc/63/77/86/1183637786.db2.gz FIVMOKIIKNZHRZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)CN2CCCC2)CC[N@@H+]1C ZINC001721857710 1184083041 /nfs/dbraw/zinc/08/30/41/1184083041.db2.gz ASJDQFPNZMXHSX-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)CN2CCCC2)CC[N@H+]1C ZINC001721857710 1184083051 /nfs/dbraw/zinc/08/30/51/1184083051.db2.gz ASJDQFPNZMXHSX-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CCCC[NH+](C)C ZINC001725602172 1184907419 /nfs/dbraw/zinc/90/74/19/1184907419.db2.gz YAIYCBOPTHDWER-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001725693199 1184945610 /nfs/dbraw/zinc/94/56/10/1184945610.db2.gz SFVPIHMVCJIZIG-GJZGRUSLSA-N 1 3 315.433 0.772 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001725693199 1184945617 /nfs/dbraw/zinc/94/56/17/1184945617.db2.gz SFVPIHMVCJIZIG-GJZGRUSLSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)C1(N(C)C)CCC1 ZINC001732703185 1185928582 /nfs/dbraw/zinc/92/85/82/1185928582.db2.gz UXOJGFSINPAKBO-ZDUSSCGKSA-N 1 3 308.430 0.247 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001732728701 1185938589 /nfs/dbraw/zinc/93/85/89/1185938589.db2.gz LDWWEBNTJMLDML-OLZOCXBDSA-N 1 3 308.430 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnnn1C)N(C)C ZINC001732747812 1185947166 /nfs/dbraw/zinc/94/71/66/1185947166.db2.gz WOBLTKSDFKUSKS-JSGCOSHPSA-N 1 3 310.446 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001742783803 1188051395 /nfs/dbraw/zinc/05/13/95/1188051395.db2.gz JEPHWCMSQQLCKB-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001742783803 1188051399 /nfs/dbraw/zinc/05/13/99/1188051399.db2.gz JEPHWCMSQQLCKB-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cnn(C)c1 ZINC001752231491 1188407184 /nfs/dbraw/zinc/40/71/84/1188407184.db2.gz ISDLAQRKZWJJGH-OAHLLOKOSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cnn(C)c1 ZINC001752231491 1188407185 /nfs/dbraw/zinc/40/71/85/1188407185.db2.gz ISDLAQRKZWJJGH-OAHLLOKOSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001753999600 1188706629 /nfs/dbraw/zinc/70/66/29/1188706629.db2.gz MVWOLNAVJZHBOW-XHDPSFHLSA-N 1 3 316.421 0.169 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCCC1 ZINC001754025951 1188715195 /nfs/dbraw/zinc/71/51/95/1188715195.db2.gz UFNYRZVJGMSZSX-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001758411469 1189874662 /nfs/dbraw/zinc/87/46/62/1189874662.db2.gz FIVMOKIIKNZHRZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001758411469 1189874667 /nfs/dbraw/zinc/87/46/67/1189874667.db2.gz FIVMOKIIKNZHRZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[NH+](C2CCN(C[C@@H](O)CC3(O)CCC3)CC2)CC1 ZINC001771863245 1190532600 /nfs/dbraw/zinc/53/26/00/1190532600.db2.gz IDLDWLXGCNFHQS-INIZCTEOSA-N 1 3 311.470 0.364 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001772224303 1190634939 /nfs/dbraw/zinc/63/49/39/1190634939.db2.gz MOIZVGCCSSQZRB-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001772227256 1190636602 /nfs/dbraw/zinc/63/66/02/1190636602.db2.gz QWHTUKFIVHGBQX-WDEREUQCSA-N 1 3 302.382 0.053 20 0 DCADHO [NH3+]CCc1nc(C(=O)N2CCC3(CC2)CNCCO3)cs1 ZINC001772285009 1190653561 /nfs/dbraw/zinc/65/35/61/1190653561.db2.gz KAMYJYBRLULNIP-UHFFFAOYSA-N 1 3 310.423 0.239 20 0 DCADHO O=C(N1CC[C@H]2[C@H]1CCCN2CCO)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001772315295 1190661355 /nfs/dbraw/zinc/66/13/55/1190661355.db2.gz FDLMDXVGKOHCLH-UIBIWLFHSA-N 1 3 321.465 0.966 20 0 DCADHO C[NH+](C)CCOCC(=O)NC[C@H]1CCC(C)(C)CN1CCO ZINC001099310433 751354177 /nfs/dbraw/zinc/35/41/77/751354177.db2.gz LYKHJLSUQNFTLG-CQSZACIVSA-N 1 3 315.458 0.164 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001127474236 751411636 /nfs/dbraw/zinc/41/16/36/751411636.db2.gz KNKANXXPYPIBIT-OAHLLOKOSA-N 1 3 318.421 0.638 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474754 751412354 /nfs/dbraw/zinc/41/23/54/751412354.db2.gz ONSCGIMLUGPZFB-OAHLLOKOSA-N 1 3 305.426 0.276 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480481 751414993 /nfs/dbraw/zinc/41/49/93/751414993.db2.gz KLHJNRLEKRZPLR-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100408255 746952048 /nfs/dbraw/zinc/95/20/48/746952048.db2.gz ZYZRKIXAHSMDAN-PXCJXSSVSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC001167260923 747045273 /nfs/dbraw/zinc/04/52/73/747045273.db2.gz QJXIZTMKLRTTKO-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001167260954 747045290 /nfs/dbraw/zinc/04/52/90/747045290.db2.gz SCBXVPMCYPCBHV-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001167633422 747439030 /nfs/dbraw/zinc/43/90/30/747439030.db2.gz CFZWGCQYZYIWFC-HNNXBMFYSA-N 1 3 322.457 0.637 20 0 DCADHO CC(C)C[NH2+]Cc1cn(C2CN(C(=O)CN3CCCC3)C2)nn1 ZINC001105372822 748641181 /nfs/dbraw/zinc/64/11/81/748641181.db2.gz YREJYYXHFJGYJO-UHFFFAOYSA-N 1 3 320.441 0.503 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086558424 761913436 /nfs/dbraw/zinc/91/34/36/761913436.db2.gz NUSXZPLVOXSQLS-CTYIDZIISA-N 1 3 305.422 0.839 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086558609 761932039 /nfs/dbraw/zinc/93/20/39/761932039.db2.gz DYZNFNGANQGOQI-KBUPBQIOSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)C1(C(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)CCC1 ZINC001088326456 749370428 /nfs/dbraw/zinc/37/04/28/749370428.db2.gz PHWVXFCKEVEGOY-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345667 749926337 /nfs/dbraw/zinc/92/63/37/749926337.db2.gz SCNBCTSYJBKLRX-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001077081543 750191465 /nfs/dbraw/zinc/19/14/65/750191465.db2.gz BTZVOGVKQBRVDX-CHWSQXEVSA-N 1 3 311.451 0.995 20 0 DCADHO CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001077081543 750191469 /nfs/dbraw/zinc/19/14/69/750191469.db2.gz BTZVOGVKQBRVDX-CHWSQXEVSA-N 1 3 311.451 0.995 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001106668168 751222047 /nfs/dbraw/zinc/22/20/47/751222047.db2.gz GCEIYQPXNDUPHG-MGPQQGTHSA-N 1 3 324.469 0.276 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC001579465298 1165318933 /nfs/dbraw/zinc/31/89/33/1165318933.db2.gz UTYWVIVTGJLPQX-ZIAGYGMSSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001077756683 752468169 /nfs/dbraw/zinc/46/81/69/752468169.db2.gz VQBLRPJDLBIRAQ-NWANDNLSSA-N 1 3 324.469 0.432 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCOCCO ZINC001168596090 752671357 /nfs/dbraw/zinc/67/13/57/752671357.db2.gz SEXQSDGPULITGU-UHFFFAOYSA-N 1 3 317.474 0.603 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C)N(C)C ZINC001045205219 753090885 /nfs/dbraw/zinc/09/08/85/753090885.db2.gz GTXAIPLNAYHLOT-GJZGRUSLSA-N 1 3 307.442 0.841 20 0 DCADHO CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046493402 753749186 /nfs/dbraw/zinc/74/91/86/753749186.db2.gz VHYGFBQJBZTLBE-BYLPVYNFSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046493402 753749190 /nfs/dbraw/zinc/74/91/90/753749190.db2.gz VHYGFBQJBZTLBE-BYLPVYNFSA-N 1 3 307.438 0.840 20 0 DCADHO CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047553678 754387052 /nfs/dbraw/zinc/38/70/52/754387052.db2.gz RCUQSBOGSPCOCV-GJZGRUSLSA-N 1 3 315.433 0.581 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C[C@@]2(O)CC[NH2+]C2)o1 ZINC001579691135 1165374606 /nfs/dbraw/zinc/37/46/06/1165374606.db2.gz NBFFHFLBQFMETC-INIZCTEOSA-N 1 3 309.410 0.593 20 0 DCADHO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)cn1 ZINC001048719975 754893118 /nfs/dbraw/zinc/89/31/18/754893118.db2.gz GUFXMSICZRYMKT-XHSDSOJGSA-N 1 3 317.437 0.405 20 0 DCADHO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCCN4C)C[C@H]3C2)cn1 ZINC001048719975 754893127 /nfs/dbraw/zinc/89/31/27/754893127.db2.gz GUFXMSICZRYMKT-XHSDSOJGSA-N 1 3 317.437 0.405 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001048875683 754991879 /nfs/dbraw/zinc/99/18/79/754991879.db2.gz INKSGQFSXZECFU-NXOAAHMSSA-N 1 3 323.481 0.999 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001048875683 754991882 /nfs/dbraw/zinc/99/18/82/754991882.db2.gz INKSGQFSXZECFU-NXOAAHMSSA-N 1 3 323.481 0.999 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)C1 ZINC001049213839 755184431 /nfs/dbraw/zinc/18/44/31/755184431.db2.gz VVNZBBBAGBZALR-HRCADAONSA-N 1 3 314.433 0.924 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)C1 ZINC001049213839 755184433 /nfs/dbraw/zinc/18/44/33/755184433.db2.gz VVNZBBBAGBZALR-HRCADAONSA-N 1 3 314.433 0.924 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049233391 755196296 /nfs/dbraw/zinc/19/62/96/755196296.db2.gz NRJNQLAWVYOCTK-LVQVYYBASA-N 1 3 309.454 0.632 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049233391 755196303 /nfs/dbraw/zinc/19/63/03/755196303.db2.gz NRJNQLAWVYOCTK-LVQVYYBASA-N 1 3 309.454 0.632 20 0 DCADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001096545703 755310720 /nfs/dbraw/zinc/31/07/20/755310720.db2.gz LNPMLJIIPQQOPO-ILXRZTDVSA-N 1 3 318.425 0.095 20 0 DCADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001096545703 755310725 /nfs/dbraw/zinc/31/07/25/755310725.db2.gz LNPMLJIIPQQOPO-ILXRZTDVSA-N 1 3 318.425 0.095 20 0 DCADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049612918 755335974 /nfs/dbraw/zinc/33/59/74/755335974.db2.gz VHGUNPPSRRSUAG-HNCZQISISA-N 1 3 319.449 0.935 20 0 DCADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049612918 755335976 /nfs/dbraw/zinc/33/59/76/755335976.db2.gz VHGUNPPSRRSUAG-HNCZQISISA-N 1 3 319.449 0.935 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001051356870 755644108 /nfs/dbraw/zinc/64/41/08/755644108.db2.gz WOMLQKPYFBNUCV-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052872240 755848617 /nfs/dbraw/zinc/84/86/17/755848617.db2.gz YYRODUHKNODZDX-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080192366 756125223 /nfs/dbraw/zinc/12/52/23/756125223.db2.gz PFHWFQHUWVWMKP-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080192366 756125227 /nfs/dbraw/zinc/12/52/27/756125227.db2.gz PFHWFQHUWVWMKP-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054737911 756621897 /nfs/dbraw/zinc/62/18/97/756621897.db2.gz PKCVMXVXBWYOIF-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccn2cncc2c1 ZINC001081900015 756849276 /nfs/dbraw/zinc/84/92/76/756849276.db2.gz WEUUZPKLTPOWOJ-NILFDRSVSA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccn2cncc2c1 ZINC001081900015 756849281 /nfs/dbraw/zinc/84/92/81/756849281.db2.gz WEUUZPKLTPOWOJ-NILFDRSVSA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223292 756974466 /nfs/dbraw/zinc/97/44/66/756974466.db2.gz NXBBOYWPZLFRTH-HUUCEWRRSA-N 1 3 323.441 0.282 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001082448159 757136352 /nfs/dbraw/zinc/13/63/52/757136352.db2.gz GLAPWJOIXJRBFS-DAXOMENPSA-N 1 3 319.453 0.759 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC001082766663 757259736 /nfs/dbraw/zinc/25/97/36/757259736.db2.gz QAFYCALKMWYQEX-UMVBOHGHSA-N 1 3 306.410 0.815 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001050223123 757505498 /nfs/dbraw/zinc/50/54/98/757505498.db2.gz NIJGNKXAYQVELP-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050661741 757939776 /nfs/dbraw/zinc/93/97/76/757939776.db2.gz BFINTNFRNWVTDH-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)N1CCCCCC1 ZINC001085352719 758828403 /nfs/dbraw/zinc/82/84/03/758828403.db2.gz UCLBCDIVUAGTIQ-RBSFLKMASA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CCO1 ZINC001051722837 758893991 /nfs/dbraw/zinc/89/39/91/758893991.db2.gz WDJQMLHNNCYQIG-KRIMKBQASA-N 1 3 323.437 0.075 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001051832190 758975727 /nfs/dbraw/zinc/97/57/27/758975727.db2.gz UTGRCZIGDAOPPX-CABCVRRESA-N 1 3 323.441 0.077 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC001051848309 758986838 /nfs/dbraw/zinc/98/68/38/758986838.db2.gz OTXKSUNSYMLTID-HUUCEWRRSA-N 1 3 322.409 0.338 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@@H]1CCCS(=O)(=O)C1)CC2 ZINC001580257660 1165549908 /nfs/dbraw/zinc/54/99/08/1165549908.db2.gz VSVOGQHCURMFHL-KBPBESRZSA-N 1 3 316.467 0.641 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001129327001 759785870 /nfs/dbraw/zinc/78/58/70/759785870.db2.gz DHNKNEBGQRCURG-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001129327001 759785874 /nfs/dbraw/zinc/78/58/74/759785874.db2.gz DHNKNEBGQRCURG-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000470 767895023 /nfs/dbraw/zinc/89/50/23/767895023.db2.gz QHHAXSJADGQLOX-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086272091 759934776 /nfs/dbraw/zinc/93/47/76/759934776.db2.gz UWBGHOIEYQAXON-RWMBFGLXSA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086272091 759934783 /nfs/dbraw/zinc/93/47/83/759934783.db2.gz UWBGHOIEYQAXON-RWMBFGLXSA-N 1 3 323.466 0.783 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086278037 759944219 /nfs/dbraw/zinc/94/42/19/759944219.db2.gz DYZNFNGANQGOQI-LJISPDSOSA-N 1 3 322.453 0.234 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001161093661 767923997 /nfs/dbraw/zinc/92/39/97/767923997.db2.gz UUDMDBDRBKTBGN-WPRPVWTQSA-N 1 3 305.304 0.936 20 0 DCADHO COCCCN1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398670 760459110 /nfs/dbraw/zinc/45/91/10/760459110.db2.gz JTZYMWLYKKTMRW-INIZCTEOSA-N 1 3 313.442 0.326 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC001123486761 767985838 /nfs/dbraw/zinc/98/58/38/767985838.db2.gz IBWCPVRQTJWBIN-ZFWWWQNUSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001123486761 767985840 /nfs/dbraw/zinc/98/58/40/767985840.db2.gz IBWCPVRQTJWBIN-ZFWWWQNUSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001123486761 767985845 /nfs/dbraw/zinc/98/58/45/767985845.db2.gz IBWCPVRQTJWBIN-ZFWWWQNUSA-N 1 3 322.457 0.515 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)C2(N(C)C)CCC2)cn1 ZINC001129358521 761006442 /nfs/dbraw/zinc/00/64/42/761006442.db2.gz TWRXXKRNBKXMHB-UHFFFAOYSA-N 1 3 307.442 0.636 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCO[C@@H]2CC2(F)F)CCC1 ZINC001129358962 761014226 /nfs/dbraw/zinc/01/42/26/761014226.db2.gz ZSUJKLMPDPYVNZ-LLVKDONJSA-N 1 3 305.369 0.601 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)CCC1 ZINC001129364528 761053980 /nfs/dbraw/zinc/05/39/80/761053980.db2.gz WKZSDGUKCJOSDU-CQSZACIVSA-N 1 3 313.442 0.372 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275524 761160487 /nfs/dbraw/zinc/16/04/87/761160487.db2.gz QLLVNQFHVVKBAV-KFWWJZLASA-N 1 3 320.441 0.371 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001070332736 761172176 /nfs/dbraw/zinc/17/21/76/761172176.db2.gz SAVOBULGXDCLKH-KFWWJZLASA-N 1 3 320.441 0.514 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001070540352 761300526 /nfs/dbraw/zinc/30/05/26/761300526.db2.gz XBAGXGOOWANPAD-DZGCQCFKSA-N 1 3 316.409 0.680 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC ZINC001148655359 768025400 /nfs/dbraw/zinc/02/54/00/768025400.db2.gz NKFPVHQIXSZBGM-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001148638511 768028129 /nfs/dbraw/zinc/02/81/29/768028129.db2.gz JLGLXIGJWKPDGI-UHFFFAOYSA-N 1 3 315.462 0.132 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCCOC)C[C@@H]1O ZINC001099895173 768032957 /nfs/dbraw/zinc/03/29/57/768032957.db2.gz VOHGTADAEAMRQT-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001099895173 768032958 /nfs/dbraw/zinc/03/29/58/768032958.db2.gz VOHGTADAEAMRQT-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001070689582 761397864 /nfs/dbraw/zinc/39/78/64/761397864.db2.gz FUSHNEXSRZAZRP-RRFJBIMHSA-N 1 3 319.453 0.808 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001070756276 761433072 /nfs/dbraw/zinc/43/30/72/761433072.db2.gz JDQLLBBUKCYNLJ-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001070756276 761433075 /nfs/dbraw/zinc/43/30/75/761433075.db2.gz JDQLLBBUKCYNLJ-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](C)O)C1 ZINC001112548465 761690304 /nfs/dbraw/zinc/69/03/04/761690304.db2.gz AUPNCLXTUPJCMX-VYDXJSESSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001129410221 762931009 /nfs/dbraw/zinc/93/10/09/762931009.db2.gz GUGLWHGADZDSER-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001129410221 762931014 /nfs/dbraw/zinc/93/10/14/762931014.db2.gz GUGLWHGADZDSER-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CNCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129416784 762932123 /nfs/dbraw/zinc/93/21/23/762932123.db2.gz JTNZQVKDWLDRMQ-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)CNCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129416784 762932125 /nfs/dbraw/zinc/93/21/25/762932125.db2.gz JTNZQVKDWLDRMQ-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129448822 762938017 /nfs/dbraw/zinc/93/80/17/762938017.db2.gz INDHKDNEPYPZQX-CABCVRRESA-N 1 3 315.458 0.066 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC001129454259 762939069 /nfs/dbraw/zinc/93/90/69/762939069.db2.gz ISQXXEQGFSRWMO-HZPDHXFCSA-N 1 3 323.412 0.905 20 0 DCADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430846 762940390 /nfs/dbraw/zinc/94/03/90/762940390.db2.gz YIFQBVIDXCSNHK-HUUCEWRRSA-N 1 3 322.453 0.378 20 0 DCADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129430846 762940396 /nfs/dbraw/zinc/94/03/96/762940396.db2.gz YIFQBVIDXCSNHK-HUUCEWRRSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437039 762943981 /nfs/dbraw/zinc/94/39/81/762943981.db2.gz VAJHXENFIKBRON-DOMZBBRYSA-N 1 3 312.458 0.193 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC001129443416 762944996 /nfs/dbraw/zinc/94/49/96/762944996.db2.gz JTEFEOCBGMVMMT-HUUCEWRRSA-N 1 3 313.442 0.228 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N1CCCCC1)[NH+](C)C ZINC001129947096 763065478 /nfs/dbraw/zinc/06/54/78/763065478.db2.gz JSLBPPQDUZZWIX-HNNXBMFYSA-N 1 3 312.458 0.291 20 0 DCADHO COCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099872080 763089764 /nfs/dbraw/zinc/08/97/64/763089764.db2.gz OKFUZZPICNCANM-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001099872080 763089767 /nfs/dbraw/zinc/08/97/67/763089767.db2.gz OKFUZZPICNCANM-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO CCOCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099893924 763105501 /nfs/dbraw/zinc/10/55/01/763105501.db2.gz BASIMUVAYBGDSE-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099893924 763105505 /nfs/dbraw/zinc/10/55/05/763105505.db2.gz BASIMUVAYBGDSE-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(CCCF)C[C@@H]2O)CC1 ZINC001099972086 763177810 /nfs/dbraw/zinc/17/78/10/763177810.db2.gz RAGSWSYCIYRADI-STQMWFEESA-N 1 3 301.406 0.239 20 0 DCADHO CC(C)OCCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975005 763179878 /nfs/dbraw/zinc/17/98/78/763179878.db2.gz XNMAMQZKAVQFMN-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O)CC(C)(C)C ZINC001100013896 763218783 /nfs/dbraw/zinc/21/87/83/763218783.db2.gz VBCWTOORRIGACS-LSDHHAIUSA-N 1 3 311.470 0.926 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O)CC(C)(C)C ZINC001100013896 763218791 /nfs/dbraw/zinc/21/87/91/763218791.db2.gz VBCWTOORRIGACS-LSDHHAIUSA-N 1 3 311.470 0.926 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOC(C)C)C[C@@H]1O ZINC001100066131 763272783 /nfs/dbraw/zinc/27/27/83/763272783.db2.gz CNXJFDSWSUZEDH-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOC(C)C)C[C@@H]1O ZINC001100066131 763272789 /nfs/dbraw/zinc/27/27/89/763272789.db2.gz CNXJFDSWSUZEDH-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001130422005 763295994 /nfs/dbraw/zinc/29/59/94/763295994.db2.gz SIGDOQUXIATQNS-AWEZNQCLSA-N 1 3 317.474 0.456 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O)N1CCCC1 ZINC001090488864 763417689 /nfs/dbraw/zinc/41/76/89/763417689.db2.gz GSXAORWMWZHUJR-KBPBESRZSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O)N1CCCC1 ZINC001090488864 763417691 /nfs/dbraw/zinc/41/76/91/763417691.db2.gz GSXAORWMWZHUJR-KBPBESRZSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001130709139 763449787 /nfs/dbraw/zinc/44/97/87/763449787.db2.gz VGPGXTMVASDBTA-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001130709139 763449789 /nfs/dbraw/zinc/44/97/89/763449789.db2.gz VGPGXTMVASDBTA-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405634 763554900 /nfs/dbraw/zinc/55/49/00/763554900.db2.gz GFGVSWPUGIEWRD-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H]([NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001100411796 763562295 /nfs/dbraw/zinc/56/22/95/763562295.db2.gz TVTNAOFHSNAFKJ-YIZWMMSDSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001100678824 763720703 /nfs/dbraw/zinc/72/07/03/763720703.db2.gz YPRABGLRQVYQLH-NFOMZHRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]([NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001100681372 763721587 /nfs/dbraw/zinc/72/15/87/763721587.db2.gz HEISHHDDFXEMRF-HIFPTAJRSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001100683806 763723397 /nfs/dbraw/zinc/72/33/97/763723397.db2.gz SNULRHLRDLCOTI-XUJLQICISA-N 1 3 321.469 0.787 20 0 DCADHO C[C@H](Nc1ccc2c([C@H]3CCC[NH2+]3)nnn2c1)[C@H]1CNCCO1 ZINC001170569753 763864966 /nfs/dbraw/zinc/86/49/66/763864966.db2.gz TWOQTNMWVACTCZ-NJZAAPMLSA-N 1 3 316.409 0.943 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985582 768173716 /nfs/dbraw/zinc/17/37/16/768173716.db2.gz ZTOMQWQQORMCTD-INMHGKMJSA-N 1 3 311.470 0.999 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985582 768173722 /nfs/dbraw/zinc/17/37/22/768173722.db2.gz ZTOMQWQQORMCTD-INMHGKMJSA-N 1 3 311.470 0.999 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345172 764064083 /nfs/dbraw/zinc/06/40/83/764064083.db2.gz WTTVLXSHFRNHRE-CPUCHLNUSA-N 1 3 324.469 0.372 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132284112 764352477 /nfs/dbraw/zinc/35/24/77/764352477.db2.gz WMKQOYXPWDLZMF-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051922 764510234 /nfs/dbraw/zinc/51/02/34/764510234.db2.gz SYSOLHALQXQCSB-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051922 764510243 /nfs/dbraw/zinc/51/02/43/764510243.db2.gz SYSOLHALQXQCSB-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213292 764554582 /nfs/dbraw/zinc/55/45/82/764554582.db2.gz AAKAEGKQKOEWGG-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102319106 764594339 /nfs/dbraw/zinc/59/43/39/764594339.db2.gz ZKHFIWFELCHVTM-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001132738589 764616589 /nfs/dbraw/zinc/61/65/89/764616589.db2.gz ILAJLGVHALQFGT-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001132738589 764616596 /nfs/dbraw/zinc/61/65/96/764616596.db2.gz ILAJLGVHALQFGT-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001102524658 764680696 /nfs/dbraw/zinc/68/06/96/764680696.db2.gz PPAVWCIIHWRAMR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001102524658 764680702 /nfs/dbraw/zinc/68/07/02/764680702.db2.gz PPAVWCIIHWRAMR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051744 764802947 /nfs/dbraw/zinc/80/29/47/764802947.db2.gz NGHRZEWUWNRZNL-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993489 764782751 /nfs/dbraw/zinc/78/27/51/764782751.db2.gz WOAHXLMPSLTDBT-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133040563 764799524 /nfs/dbraw/zinc/79/95/24/764799524.db2.gz WTNWHEFBTVDOFW-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001133178371 764859248 /nfs/dbraw/zinc/85/92/48/764859248.db2.gz PGQULPKZMFBPDF-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCO)C2)CC1 ZINC001133195020 764869615 /nfs/dbraw/zinc/86/96/15/764869615.db2.gz OCFYWLRJMACBHB-CVEARBPZSA-N 1 3 311.470 0.785 20 0 DCADHO CCCCC[C@@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291008 764908327 /nfs/dbraw/zinc/90/83/27/764908327.db2.gz HJBDKAUCPAXVQC-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(CO)cc1)N(C)C ZINC001133418677 764958237 /nfs/dbraw/zinc/95/82/37/764958237.db2.gz CFPPJNSBLGDGCK-MRXNPFEDSA-N 1 3 307.438 0.971 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436034 765055187 /nfs/dbraw/zinc/05/51/87/765055187.db2.gz IBMSYVXKQAZNBH-RRFJBIMHSA-N 1 3 324.469 0.148 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103436034 765055193 /nfs/dbraw/zinc/05/51/93/765055193.db2.gz IBMSYVXKQAZNBH-RRFJBIMHSA-N 1 3 324.469 0.148 20 0 DCADHO COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677387 765104603 /nfs/dbraw/zinc/10/46/03/765104603.db2.gz ZZVPAZWMDQHGAS-TZMCWYRMSA-N 1 3 308.426 0.981 20 0 DCADHO COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001103677387 765104605 /nfs/dbraw/zinc/10/46/05/765104605.db2.gz ZZVPAZWMDQHGAS-TZMCWYRMSA-N 1 3 308.426 0.981 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc2nonc2c1 ZINC001133823609 765154226 /nfs/dbraw/zinc/15/42/26/765154226.db2.gz KJVUKSVJRUZSKW-LBPRGKRZSA-N 1 3 317.393 0.913 20 0 DCADHO COc1coc(CNCCNC(=O)C[N@@H+]2CCC[C@H]2C)cc1=O ZINC001133834357 765165460 /nfs/dbraw/zinc/16/54/60/765165460.db2.gz VJUHOUIBWZRZJN-GFCCVEGCSA-N 1 3 323.393 0.339 20 0 DCADHO COc1coc(CNCCNC(=O)C[N@H+]2CCC[C@H]2C)cc1=O ZINC001133834357 765165467 /nfs/dbraw/zinc/16/54/67/765165467.db2.gz VJUHOUIBWZRZJN-GFCCVEGCSA-N 1 3 323.393 0.339 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001133849856 765183202 /nfs/dbraw/zinc/18/32/02/765183202.db2.gz FVLNOXHQGMRRAF-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001133849856 765183206 /nfs/dbraw/zinc/18/32/06/765183206.db2.gz FVLNOXHQGMRRAF-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001133866776 765193148 /nfs/dbraw/zinc/19/31/48/765193148.db2.gz PGDOQKWDNSPGDS-HIFRSBDPSA-N 1 3 319.453 0.551 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001133866776 765193152 /nfs/dbraw/zinc/19/31/52/765193152.db2.gz PGDOQKWDNSPGDS-HIFRSBDPSA-N 1 3 319.453 0.551 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCOC[C@H]1CCCCO1)N(C)C ZINC001133966191 765259171 /nfs/dbraw/zinc/25/91/71/765259171.db2.gz WYNZLNXWWHHXSY-CABCVRRESA-N 1 3 315.458 0.618 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)N1CCCCCC1 ZINC001124866681 768316828 /nfs/dbraw/zinc/31/68/28/768316828.db2.gz IWPJKUHAYUYMFQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cn1 ZINC001135093056 765800454 /nfs/dbraw/zinc/80/04/54/765800454.db2.gz GVEBMCHTIDQAGJ-LSDHHAIUSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cn1 ZINC001135093056 765800465 /nfs/dbraw/zinc/80/04/65/765800465.db2.gz GVEBMCHTIDQAGJ-LSDHHAIUSA-N 1 3 305.426 0.643 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513294 765967176 /nfs/dbraw/zinc/96/71/76/765967176.db2.gz LOUJWCQTJRNGCC-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135478254 765949918 /nfs/dbraw/zinc/94/99/18/765949918.db2.gz YQRSOTMQROJBLE-HNNXBMFYSA-N 1 3 314.474 0.537 20 0 DCADHO Cc1nc(N)nc2c1nc(N[C@@H](N)CCC[NH3+])c(=O)n2C(C)C ZINC001170898987 766249235 /nfs/dbraw/zinc/24/92/35/766249235.db2.gz GBCVJKDCJUUVNS-SECBINFHSA-N 1 3 320.401 0.094 20 0 DCADHO CC(C)=CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090536394 766297773 /nfs/dbraw/zinc/29/77/73/766297773.db2.gz DVNAIFIQAMPYOG-JKSUJKDBSA-N 1 3 309.454 0.846 20 0 DCADHO C[NH+](C)C1CCN(CCNCc2cnc3n2CCOC3)CC1 ZINC001119678140 766771009 /nfs/dbraw/zinc/77/10/09/766771009.db2.gz VOYQXNDFGHMWMU-UHFFFAOYSA-N 1 3 307.442 0.529 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227657 767060710 /nfs/dbraw/zinc/06/07/10/767060710.db2.gz QMSCKWJSLSNUCS-AWEZNQCLSA-N 1 3 305.426 0.723 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171227657 767060717 /nfs/dbraw/zinc/06/07/17/767060717.db2.gz QMSCKWJSLSNUCS-AWEZNQCLSA-N 1 3 305.426 0.723 20 0 DCADHO O=C(NCCCCCN1CC[NH2+]CC1)NCCN1CC=CCC1 ZINC001120564106 767079800 /nfs/dbraw/zinc/07/98/00/767079800.db2.gz BVOMPOCHVROURZ-UHFFFAOYSA-N 1 3 323.485 0.623 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001120626536 767097759 /nfs/dbraw/zinc/09/77/59/767097759.db2.gz RKAYCLHRKIWRMR-CABCVRRESA-N 1 3 310.442 0.369 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)N(C)C)C2)N(C)C ZINC001121302003 767503539 /nfs/dbraw/zinc/50/35/39/767503539.db2.gz JWHYCGOWOZPKID-OPFKTAGGSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)c1ccco1 ZINC001146709659 767508395 /nfs/dbraw/zinc/50/83/95/767508395.db2.gz AOFFYVDPRIQPEG-CYBMUJFWSA-N 1 3 324.425 0.504 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)c1ccco1 ZINC001146709659 767508396 /nfs/dbraw/zinc/50/83/96/767508396.db2.gz AOFFYVDPRIQPEG-CYBMUJFWSA-N 1 3 324.425 0.504 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCCO)C2)N(C)C ZINC001121707797 767623779 /nfs/dbraw/zinc/62/37/79/767623779.db2.gz LKHUPBXLOUAYKR-UKEPKTAJSA-N 1 3 311.470 0.972 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CCCO)C3)C1 ZINC001121773078 767634719 /nfs/dbraw/zinc/63/47/19/767634719.db2.gz NECVHTIAYPKOLI-HOUHCIJLSA-N 1 3 309.454 0.728 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001121917513 767667130 /nfs/dbraw/zinc/66/71/30/767667130.db2.gz UVYDKUCACNWOAC-CPUCHLNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)Cc2nc[nH]c2C)cn1 ZINC001149123622 767668605 /nfs/dbraw/zinc/66/86/05/767668605.db2.gz MNYNEKPVFMWIMZ-UHFFFAOYSA-N 1 3 304.398 0.426 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC2(C1)CC[N@H+](CCOC)C2 ZINC001147646869 767803875 /nfs/dbraw/zinc/80/38/75/767803875.db2.gz HGTPIFUWWRFMDB-CQSZACIVSA-N 1 3 315.433 0.847 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC2(C1)CC[N@@H+](CCOC)C2 ZINC001147646869 767803882 /nfs/dbraw/zinc/80/38/82/767803882.db2.gz HGTPIFUWWRFMDB-CQSZACIVSA-N 1 3 315.433 0.847 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)Cc2nc[nH]c2C)n1 ZINC001149124994 767817683 /nfs/dbraw/zinc/81/76/83/767817683.db2.gz ZXDZXKFFGGIQIM-UHFFFAOYSA-N 1 3 306.370 0.291 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093673259 768686791 /nfs/dbraw/zinc/68/67/91/768686791.db2.gz NRIYIPZMKIWLKH-UMVBOHGHSA-N 1 3 320.441 0.093 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1)N(C)C ZINC001093859658 768752822 /nfs/dbraw/zinc/75/28/22/768752822.db2.gz XXCJBVLJUATQMG-FVQBIDKESA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1)N(C)C ZINC001094049215 768833843 /nfs/dbraw/zinc/83/38/43/768833843.db2.gz MUKXJDUPNVHSKS-KFWWJZLASA-N 1 3 321.469 0.944 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072951 769252352 /nfs/dbraw/zinc/25/23/52/769252352.db2.gz BCMKCTJNCLOIHF-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072951 769252358 /nfs/dbraw/zinc/25/23/58/769252358.db2.gz BCMKCTJNCLOIHF-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCCC1 ZINC001151073062 769252609 /nfs/dbraw/zinc/25/26/09/769252609.db2.gz FMZDQDGYHYEHQN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CCCCCC1 ZINC001151073062 769252616 /nfs/dbraw/zinc/25/26/16/769252616.db2.gz FMZDQDGYHYEHQN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)CC ZINC001171763152 769371210 /nfs/dbraw/zinc/37/12/10/769371210.db2.gz SRGVKJCPBGYIDG-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN([C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172007034 769407924 /nfs/dbraw/zinc/40/79/24/769407924.db2.gz HQZFDPQEPMAWKX-AWEZNQCLSA-N 1 3 323.437 0.886 20 0 DCADHO CCN1CC[C@H](N2CCN(CC[NH+](CC)CC)CC2)CC1=O ZINC001172039337 769421800 /nfs/dbraw/zinc/42/18/00/769421800.db2.gz FMNSQYHXAVWEJK-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[NH+](C)CCCN1CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172179121 769453991 /nfs/dbraw/zinc/45/39/91/769453991.db2.gz KHAYLNIRHTWFKI-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001152136850 769488360 /nfs/dbraw/zinc/48/83/60/769488360.db2.gz GYADVAURXOUXTR-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001152136850 769488366 /nfs/dbraw/zinc/48/83/66/769488366.db2.gz GYADVAURXOUXTR-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152146386 769489857 /nfs/dbraw/zinc/48/98/57/769489857.db2.gz JEVYUOFAZWFOAH-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152146386 769489864 /nfs/dbraw/zinc/48/98/64/769489864.db2.gz JEVYUOFAZWFOAH-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001152138744 769490194 /nfs/dbraw/zinc/49/01/94/769490194.db2.gz YJIBNBUQQVCANA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(C(=O)NC[C@H]1CN(CCO)CCCO1)[NH+]1CCCC1 ZINC001150070467 769492164 /nfs/dbraw/zinc/49/21/64/769492164.db2.gz KJLNTLJBQYNCIK-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152236846 769513386 /nfs/dbraw/zinc/51/33/86/769513386.db2.gz GHRQUYAXOBOATN-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO COC(=O)[C@@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)C[C@@H]1C(=O)OC ZINC001173568685 769662295 /nfs/dbraw/zinc/66/22/95/769662295.db2.gz ZYLFSAFAUGHWIV-YOWGUQMCSA-N 1 3 324.421 0.944 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115933 769762046 /nfs/dbraw/zinc/76/20/46/769762046.db2.gz HSMKVHFZUZFHAA-HNNXBMFYSA-N 1 3 308.451 0.743 20 0 DCADHO Cn1cc(C(=O)N[C@@H]2CN(CCCC[NH3+])[C@@H]3CCCO[C@H]23)cn1 ZINC001235616175 769913818 /nfs/dbraw/zinc/91/38/18/769913818.db2.gz OZQNXHLGISQHCI-RBSFLKMASA-N 1 3 321.425 0.121 20 0 DCADHO COC(=O)[C@@H]1CNCCN1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001236052969 769971363 /nfs/dbraw/zinc/97/13/63/769971363.db2.gz MEODZIZDJDPYGT-SJORKVTESA-N 1 3 317.433 0.955 20 0 DCADHO COC(=O)[C@@H]1CNCCN1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001236052969 769971377 /nfs/dbraw/zinc/97/13/77/769971377.db2.gz MEODZIZDJDPYGT-SJORKVTESA-N 1 3 317.433 0.955 20 0 DCADHO NC(=S)C1CCN(Cc2cccc(C(=O)NCC[NH3+])c2)CC1 ZINC001236181412 769981050 /nfs/dbraw/zinc/98/10/50/769981050.db2.gz ZEYRNAHZNHAHDU-UHFFFAOYSA-N 1 3 320.462 0.873 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001176072379 770012683 /nfs/dbraw/zinc/01/26/83/770012683.db2.gz RJBRSIPSSWRFOD-LBPRGKRZSA-N 1 3 307.398 0.033 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001176072379 770012696 /nfs/dbraw/zinc/01/26/96/770012696.db2.gz RJBRSIPSSWRFOD-LBPRGKRZSA-N 1 3 307.398 0.033 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC ZINC001176277361 770060024 /nfs/dbraw/zinc/06/00/24/770060024.db2.gz DCDOMKYKJUHVFN-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](O)COC ZINC001154069947 770062745 /nfs/dbraw/zinc/06/27/45/770062745.db2.gz PZCATGQNAVZNIC-ZIAGYGMSSA-N 1 3 317.474 0.551 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](O)COC ZINC001154069947 770062761 /nfs/dbraw/zinc/06/27/61/770062761.db2.gz PZCATGQNAVZNIC-ZIAGYGMSSA-N 1 3 317.474 0.551 20 0 DCADHO CC[C@@H]([NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001176352157 770091932 /nfs/dbraw/zinc/09/19/32/770091932.db2.gz ZSUZYJVRZKHDAN-DGCLKSJQSA-N 1 3 323.441 0.789 20 0 DCADHO NCCS(=O)(=O)NC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC001238868024 770138459 /nfs/dbraw/zinc/13/84/59/770138459.db2.gz RGONNFPFRMFDPT-UHFFFAOYSA-N 1 3 317.842 0.797 20 0 DCADHO NCCS(=O)(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001238925284 770148787 /nfs/dbraw/zinc/14/87/87/770148787.db2.gz FDOARBRDFFRUMG-UHFFFAOYSA-N 1 3 319.471 0.099 20 0 DCADHO CC[C@H]([NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)C(N)=O ZINC001176760238 770168757 /nfs/dbraw/zinc/16/87/57/770168757.db2.gz RWUXLUIPPOHGHG-KBPBESRZSA-N 1 3 314.474 0.855 20 0 DCADHO [NH3+]CCS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001239099731 770180078 /nfs/dbraw/zinc/18/00/78/770180078.db2.gz WPYSPXNDBAKIRX-MRXNPFEDSA-N 1 3 323.462 0.873 20 0 DCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)Cc2c[nH]cn2)C1 ZINC001176829734 770180330 /nfs/dbraw/zinc/18/03/30/770180330.db2.gz YWMLXRCCRRWZLI-LBPRGKRZSA-N 1 3 302.382 0.369 20 0 DCADHO [NH3+]C[C@@]1(O)CCCCN(C(=S)NCCN2CCCCC2)C1 ZINC001239405623 770217841 /nfs/dbraw/zinc/21/78/41/770217841.db2.gz DWRLKXSTMYRAQC-HNNXBMFYSA-N 1 3 314.499 0.523 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCOCCOC ZINC001176986309 770273968 /nfs/dbraw/zinc/27/39/68/770273968.db2.gz KKCUJDDWBXMDMW-HNNXBMFYSA-N 1 3 315.458 0.620 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986862 770274157 /nfs/dbraw/zinc/27/41/57/770274157.db2.gz XGQSDCQSLGRPDF-AWEZNQCLSA-N 1 3 314.474 0.727 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001176991415 770281184 /nfs/dbraw/zinc/28/11/84/770281184.db2.gz AUFVHLAKPFNQSV-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001206654570 770448072 /nfs/dbraw/zinc/44/80/72/770448072.db2.gz ZRZCMWHSZBMAAC-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356056 770731477 /nfs/dbraw/zinc/73/14/77/770731477.db2.gz HHLQTQXOANTEFM-SOUVJXGZSA-N 1 3 313.442 0.323 20 0 DCADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001178698209 770839145 /nfs/dbraw/zinc/83/91/45/770839145.db2.gz BTDHAOJOXHFWBX-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179435161 771004305 /nfs/dbraw/zinc/00/43/05/771004305.db2.gz LSNLOQHFTIPRNE-MELADBBJSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@@H]([NH2+]CCCCCCNC(=O)CN(CC)CC)C(N)=O ZINC001179851042 771023867 /nfs/dbraw/zinc/02/38/67/771023867.db2.gz SVHSNMJIDOWCOA-CQSZACIVSA-N 1 3 314.474 0.858 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)[C@@H]1C ZINC001179978655 771042137 /nfs/dbraw/zinc/04/21/37/771042137.db2.gz GXFSWQYYMZREJM-RDBSUJKOSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)[C@@H]1C ZINC001179978655 771042140 /nfs/dbraw/zinc/04/21/40/771042140.db2.gz GXFSWQYYMZREJM-RDBSUJKOSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179982711 771042396 /nfs/dbraw/zinc/04/23/96/771042396.db2.gz DHAHKYUBHNRMNU-RDBSUJKOSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(=O)N(C)C ZINC001180131575 771061432 /nfs/dbraw/zinc/06/14/32/771061432.db2.gz GYBALFNQZPYMTC-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124756 771066096 /nfs/dbraw/zinc/06/60/96/771066096.db2.gz RCFLRHQSKIEBIH-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124756 771066101 /nfs/dbraw/zinc/06/61/01/771066101.db2.gz RCFLRHQSKIEBIH-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)[C@@H]1C ZINC001180226739 771077982 /nfs/dbraw/zinc/07/79/82/771077982.db2.gz JPKFMATXMDAPDN-SOUVJXGZSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001180227007 771078043 /nfs/dbraw/zinc/07/80/43/771078043.db2.gz XQDITZPJCVCRKY-JSGCOSHPSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CCCO ZINC001181755414 771343588 /nfs/dbraw/zinc/34/35/88/771343588.db2.gz QHNIDGLBCBRBRC-FRFSOERESA-N 1 3 311.470 0.783 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001182924060 771571579 /nfs/dbraw/zinc/57/15/79/771571579.db2.gz DNCRLQREGQQODS-CKEIUWERSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289047 771632170 /nfs/dbraw/zinc/63/21/70/771632170.db2.gz QMBGVKHMZXAPBD-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001157589947 771637864 /nfs/dbraw/zinc/63/78/64/771637864.db2.gz GCBXCEILTWAPDV-CQSZACIVSA-N 1 3 312.364 0.680 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183389211 771642742 /nfs/dbraw/zinc/64/27/42/771642742.db2.gz AZIXYUURVSNVOP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183389211 771642745 /nfs/dbraw/zinc/64/27/45/771642745.db2.gz AZIXYUURVSNVOP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157747500 771663342 /nfs/dbraw/zinc/66/33/42/771663342.db2.gz UMOSSUMWAMRJJH-HUBLWGQQSA-N 1 3 314.405 0.004 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157781119 771670267 /nfs/dbraw/zinc/67/02/67/771670267.db2.gz MLAOMHVCIKZYSW-ZFWWWQNUSA-N 1 3 303.422 0.759 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001183582116 771670802 /nfs/dbraw/zinc/67/08/02/771670802.db2.gz UDDNMCJPXACDBV-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCNCc1nccn1C ZINC001157887112 771687188 /nfs/dbraw/zinc/68/71/88/771687188.db2.gz QOFHOGSMUUKJHK-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCNCc1nccn1C ZINC001157887112 771687190 /nfs/dbraw/zinc/68/71/90/771687190.db2.gz QOFHOGSMUUKJHK-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900716 771689070 /nfs/dbraw/zinc/68/90/70/771689070.db2.gz PLFBRVAJYQZOML-NEPJUHHUSA-N 1 3 317.380 0.337 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900716 771689072 /nfs/dbraw/zinc/68/90/72/771689072.db2.gz PLFBRVAJYQZOML-NEPJUHHUSA-N 1 3 317.380 0.337 20 0 DCADHO CCOC(=O)c1cc(C)nc(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001157914868 771692349 /nfs/dbraw/zinc/69/23/49/771692349.db2.gz NRLBEQKMTHRQFW-UHFFFAOYSA-N 1 3 306.370 0.556 20 0 DCADHO O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327365 771760418 /nfs/dbraw/zinc/76/04/18/771760418.db2.gz DRLOFNHTGSOPOP-ZZTPXLKCSA-N 1 3 312.417 0.034 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CCC[C@H]3[NH2+]C[C@H]32)cc1 ZINC001158422327 771771777 /nfs/dbraw/zinc/77/17/77/771771777.db2.gz KDYJSYANBHWJJT-ARFHVFGLSA-N 1 3 303.406 0.918 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486630 771781671 /nfs/dbraw/zinc/78/16/71/771781671.db2.gz PWDVIFMYPJKIOK-LSDHHAIUSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486630 771781673 /nfs/dbraw/zinc/78/16/73/771781673.db2.gz PWDVIFMYPJKIOK-LSDHHAIUSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)on1 ZINC001158487205 771782057 /nfs/dbraw/zinc/78/20/57/771782057.db2.gz WVGIFVOTHAJKRI-HIFRSBDPSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)on1 ZINC001158487205 771782062 /nfs/dbraw/zinc/78/20/62/771782062.db2.gz WVGIFVOTHAJKRI-HIFRSBDPSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)on1 ZINC001158487203 771782098 /nfs/dbraw/zinc/78/20/98/771782098.db2.gz WVGIFVOTHAJKRI-DZGCQCFKSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)on1 ZINC001158487203 771782105 /nfs/dbraw/zinc/78/21/05/771782105.db2.gz WVGIFVOTHAJKRI-DZGCQCFKSA-N 1 3 322.409 0.442 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)C1CCCCC1 ZINC001158496548 771783070 /nfs/dbraw/zinc/78/30/70/771783070.db2.gz RYPVQPVODHEJJX-XQLPTFJDSA-N 1 3 323.437 0.646 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CNCc4ccnn4C3)C[C@H]2CF)CC1 ZINC001158569360 771791674 /nfs/dbraw/zinc/79/16/74/771791674.db2.gz YIDGKCJXKXXGJW-MBNYWOFBSA-N 1 3 321.400 0.138 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184577845 771801424 /nfs/dbraw/zinc/80/14/24/771801424.db2.gz PJNPMHYOSFEUKS-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(N)=O ZINC001184628617 771808395 /nfs/dbraw/zinc/80/83/95/771808395.db2.gz MTTWJASGOVLQLA-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1)[NH+]1CCCC1 ZINC001184807139 771823658 /nfs/dbraw/zinc/82/36/58/771823658.db2.gz WEMMSKIJKNGBAG-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO NC1(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001158903849 771833546 /nfs/dbraw/zinc/83/35/46/771833546.db2.gz QAMXAKUKSBTNFM-NHYWBVRUSA-N 1 3 320.368 0.566 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184877098 771841325 /nfs/dbraw/zinc/84/13/25/771841325.db2.gz RICWPJSGPPPZKU-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001185265963 771894828 /nfs/dbraw/zinc/89/48/28/771894828.db2.gz VFUBTDGEKJIZPS-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO COc1ccc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cn1 ZINC001185385230 771909298 /nfs/dbraw/zinc/90/92/98/771909298.db2.gz MWAOAISGUYNFHW-CQSZACIVSA-N 1 3 306.410 0.732 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001185706591 771943172 /nfs/dbraw/zinc/94/31/72/771943172.db2.gz PSMOKFBIXUNTTN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185715317 771948782 /nfs/dbraw/zinc/94/87/82/771948782.db2.gz AOIUNLVEXBRRAE-MCIONIFRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2ccn(C)n2)C1 ZINC001159837834 771966946 /nfs/dbraw/zinc/96/69/46/771966946.db2.gz GQLZQXISUKXPMV-OAHLLOKOSA-N 1 3 321.469 0.994 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCCNCc2ccn(C)n2)C1 ZINC001159837834 771966948 /nfs/dbraw/zinc/96/69/48/771966948.db2.gz GQLZQXISUKXPMV-OAHLLOKOSA-N 1 3 321.469 0.994 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCCC1)C1CC1 ZINC001159917527 771977534 /nfs/dbraw/zinc/97/75/34/771977534.db2.gz YYJZOHKKUUJBPV-INIZCTEOSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159917493 771977564 /nfs/dbraw/zinc/97/75/64/771977564.db2.gz XOOOIPZJMSQSCX-HNNXBMFYSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nccnc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159931463 771979237 /nfs/dbraw/zinc/97/92/37/771979237.db2.gz DAVKMZBWSANIIF-HNNXBMFYSA-N 1 3 305.426 0.721 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082246 771991667 /nfs/dbraw/zinc/99/16/67/771991667.db2.gz HQMTYXRNJIJBMX-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001160477076 772046486 /nfs/dbraw/zinc/04/64/86/772046486.db2.gz SPSMITBSLMKOOW-QWHCGFSZSA-N 1 3 323.437 0.376 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554348 772054902 /nfs/dbraw/zinc/05/49/02/772054902.db2.gz BVPOCDSGHFDMJK-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160538276 772060919 /nfs/dbraw/zinc/06/09/19/772060919.db2.gz GTAHVUFXPSPSCC-CQSZACIVSA-N 1 3 319.409 0.429 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H](n2cncn2)C1 ZINC001160635641 772081136 /nfs/dbraw/zinc/08/11/36/772081136.db2.gz BLWOTPIVRRQKPS-KGLIPLIRSA-N 1 3 318.425 0.316 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H](n2cncn2)C1 ZINC001160635641 772081142 /nfs/dbraw/zinc/08/11/42/772081142.db2.gz BLWOTPIVRRQKPS-KGLIPLIRSA-N 1 3 318.425 0.316 20 0 DCADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160636805 772081759 /nfs/dbraw/zinc/08/17/59/772081759.db2.gz RNOSMKWQWCBFRJ-CJNGLKHVSA-N 1 3 323.437 0.662 20 0 DCADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160636805 772081766 /nfs/dbraw/zinc/08/17/66/772081766.db2.gz RNOSMKWQWCBFRJ-CJNGLKHVSA-N 1 3 323.437 0.662 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(=O)C(F)(F)C1 ZINC001160664142 772090134 /nfs/dbraw/zinc/09/01/34/772090134.db2.gz NFZBQOSKNSVLHG-SNVBAGLBSA-N 1 3 301.337 0.297 20 0 DCADHO N[C@H](C(=O)N1CCc2ccc(=O)[nH]c2CC1)C1CC[NH2+]CC1 ZINC001160756594 772107481 /nfs/dbraw/zinc/10/74/81/772107481.db2.gz RJZPFCKROGELQV-HNNXBMFYSA-N 1 3 304.394 0.041 20 0 DCADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160831908 772117486 /nfs/dbraw/zinc/11/74/86/772117486.db2.gz FKUFSCUZZVZFGX-KBPBESRZSA-N 1 3 323.437 0.662 20 0 DCADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160831908 772117490 /nfs/dbraw/zinc/11/74/90/772117490.db2.gz FKUFSCUZZVZFGX-KBPBESRZSA-N 1 3 323.437 0.662 20 0 DCADHO N[C@H](C(=O)N1CCO[C@@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160874904 772130868 /nfs/dbraw/zinc/13/08/68/772130868.db2.gz HFLSSWBXHGNGGJ-IRXDYDNUSA-N 1 3 317.433 0.783 20 0 DCADHO N[C@@H](C(=O)N1CCOC[C@H]1c1cccnc1)C1CC[NH2+]CC1 ZINC001160950817 772142197 /nfs/dbraw/zinc/14/21/97/772142197.db2.gz HNGLGPZQTHLGTL-LSDHHAIUSA-N 1 3 304.394 0.308 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2)CC1 ZINC001160991468 772146411 /nfs/dbraw/zinc/14/64/11/772146411.db2.gz DOIWOFPWDZIOIT-YEJXKQKISA-N 1 3 315.483 0.417 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001160991831 772146464 /nfs/dbraw/zinc/14/64/64/772146464.db2.gz GLADXGDWLZOQES-HNNXBMFYSA-N 1 3 319.453 0.624 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cn1 ZINC001187241367 772152176 /nfs/dbraw/zinc/15/21/76/772152176.db2.gz XVNNFOISCKMVLU-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO Nc1ccc2c(c1)CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001161077259 772162618 /nfs/dbraw/zinc/16/26/18/772162618.db2.gz RZZBHDAWNSDERY-RHSMWYFYSA-N 1 3 300.406 0.353 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161082386 772163123 /nfs/dbraw/zinc/16/31/23/772163123.db2.gz ODIYBDHFXXYVSO-AJNGGQMLSA-N 1 3 324.469 0.417 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161082386 772163124 /nfs/dbraw/zinc/16/31/24/772163124.db2.gz ODIYBDHFXXYVSO-AJNGGQMLSA-N 1 3 324.469 0.417 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(CC)C2=O)C1 ZINC001187298365 772170575 /nfs/dbraw/zinc/17/05/75/772170575.db2.gz FCJOCPHWJYEHEV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(CC)C2=O)C1 ZINC001187298365 772170578 /nfs/dbraw/zinc/17/05/78/772170578.db2.gz FCJOCPHWJYEHEV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cc(O[C@H]2CCCN(C(=O)[C@@H](N)CCC[NH3+])C2)ncn1 ZINC001161308644 772200424 /nfs/dbraw/zinc/20/04/24/772200424.db2.gz GNJZHWUNMQATPK-STQMWFEESA-N 1 3 307.398 0.221 20 0 DCADHO Cc1cccnc1O[C@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161395668 772217401 /nfs/dbraw/zinc/21/74/01/772217401.db2.gz WRWPPFGALBPMLA-STQMWFEESA-N 1 3 324.450 0.389 20 0 DCADHO O=C([C@H]1[C@H](O)CCN1Cc1ccccc1)N1CC[NH2+]C2(CC2)C1 ZINC001161545110 772242776 /nfs/dbraw/zinc/24/27/76/772242776.db2.gz MMWZOPPZXMIMHJ-HZPDHXFCSA-N 1 3 315.417 0.586 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145417 772271944 /nfs/dbraw/zinc/27/19/44/772271944.db2.gz GBUKZGSYZSWZIB-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO Cn1nc(C(F)(F)F)cc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001189607641 772505184 /nfs/dbraw/zinc/50/51/84/772505184.db2.gz DMGWQWFMUALONJ-UHFFFAOYSA-N 1 3 306.292 0.513 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001190371363 772624604 /nfs/dbraw/zinc/62/46/04/772624604.db2.gz SDZXGKVTYQJXHH-RRFJBIMHSA-N 1 3 322.453 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001190371363 772624607 /nfs/dbraw/zinc/62/46/07/772624607.db2.gz SDZXGKVTYQJXHH-RRFJBIMHSA-N 1 3 322.453 0.090 20 0 DCADHO CCn1nncc1CNCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254672 772711805 /nfs/dbraw/zinc/71/18/05/772711805.db2.gz SRUNBJHAMLXYQY-UHFFFAOYSA-N 1 3 308.430 0.236 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165484263 772742117 /nfs/dbraw/zinc/74/21/17/772742117.db2.gz BVCNOQWZZPUYKB-TZMCWYRMSA-N 1 3 324.469 0.337 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)C1=O ZINC001166010060 772778743 /nfs/dbraw/zinc/77/87/43/772778743.db2.gz GEVGLGXYCMAVHZ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cnc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cn1 ZINC001166627400 772831273 /nfs/dbraw/zinc/83/12/73/772831273.db2.gz UWLHLBSGYWGSFQ-CQSZACIVSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001166668103 772836923 /nfs/dbraw/zinc/83/69/23/772836923.db2.gz RAVBWWMGNUUMAD-AWEZNQCLSA-N 1 3 320.437 0.323 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001166690893 772841165 /nfs/dbraw/zinc/84/11/65/772841165.db2.gz HXMYRZATWGSCNN-HIFRSBDPSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001166690893 772841169 /nfs/dbraw/zinc/84/11/69/772841169.db2.gz HXMYRZATWGSCNN-HIFRSBDPSA-N 1 3 307.442 0.697 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC001203455997 772906964 /nfs/dbraw/zinc/90/69/64/772906964.db2.gz NMJWGOMYUZWGKO-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)N(C)C ZINC001204799237 772962551 /nfs/dbraw/zinc/96/25/51/772962551.db2.gz USPDZBUMHUSRHL-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469568 772994078 /nfs/dbraw/zinc/99/40/78/772994078.db2.gz MQGLAMPSXUDRGP-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275232 773061689 /nfs/dbraw/zinc/06/16/89/773061689.db2.gz QCORRTYJABAXIL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001206301277 773064656 /nfs/dbraw/zinc/06/46/56/773064656.db2.gz MJDSLGIIVQRISC-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO CN(CCOCC1CC1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194011317 773138394 /nfs/dbraw/zinc/13/83/94/773138394.db2.gz RNLDZCOLTHRCPO-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO CN(CCOCC1CC1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194011317 773138396 /nfs/dbraw/zinc/13/83/96/773138396.db2.gz RNLDZCOLTHRCPO-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO COc1cc(C(=O)N(CCCC[NH3+])C(=N)N)cc(OC)c1F ZINC001194318073 773174398 /nfs/dbraw/zinc/17/43/98/773174398.db2.gz RFZAOVMXUDODMF-UHFFFAOYSA-N 1 3 312.345 0.917 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207684442 773269293 /nfs/dbraw/zinc/26/92/93/773269293.db2.gz OEWIVTXNSQARRO-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688969 773271373 /nfs/dbraw/zinc/27/13/73/773271373.db2.gz UTEZKSVXBBHANO-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001208092284 773398714 /nfs/dbraw/zinc/39/87/14/773398714.db2.gz MYEJKCGAMOMCAS-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331049 773436048 /nfs/dbraw/zinc/43/60/48/773436048.db2.gz JVPPUEXWPWRUDB-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331049 773436049 /nfs/dbraw/zinc/43/60/49/773436049.db2.gz JVPPUEXWPWRUDB-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208359368 773442690 /nfs/dbraw/zinc/44/26/90/773442690.db2.gz SUXAVFFVSLRPGD-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208359368 773442695 /nfs/dbraw/zinc/44/26/95/773442695.db2.gz SUXAVFFVSLRPGD-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001208410747 773455553 /nfs/dbraw/zinc/45/55/53/773455553.db2.gz DDRMRMMGPMGPMY-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001208414492 773455885 /nfs/dbraw/zinc/45/58/85/773455885.db2.gz RBHQVEWIKYFETG-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411544 773455931 /nfs/dbraw/zinc/45/59/31/773455931.db2.gz WNJBXXNWWXAJSM-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208428030 773459985 /nfs/dbraw/zinc/45/99/85/773459985.db2.gz KUDGXPFHDKKOAT-HUUCEWRRSA-N 1 3 319.453 0.661 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208747861 773523104 /nfs/dbraw/zinc/52/31/04/773523104.db2.gz DOLAICVDAMSNSU-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209276623 773580522 /nfs/dbraw/zinc/58/05/22/773580522.db2.gz ADUHAJURAILVRU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001209313146 773589796 /nfs/dbraw/zinc/58/97/96/773589796.db2.gz COCIKWQGIVHPJN-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323028 773591325 /nfs/dbraw/zinc/59/13/25/773591325.db2.gz DEXTZLGFLPMFEI-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001209447112 773606508 /nfs/dbraw/zinc/60/65/08/773606508.db2.gz XJAOQKFODQSCDF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001209447113 773606554 /nfs/dbraw/zinc/60/65/54/773606554.db2.gz XJAOQKFODQSCDF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](NCC(=O)NC)C1)[NH+](CC)CC ZINC001209589296 773622924 /nfs/dbraw/zinc/62/29/24/773622924.db2.gz NGXHOPJZJVSKOT-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631907 773627035 /nfs/dbraw/zinc/62/70/35/773627035.db2.gz IHHJVICKWUQPRC-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001210217074 773686549 /nfs/dbraw/zinc/68/65/49/773686549.db2.gz CLYRQCIBOOGTBA-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001211065729 773766521 /nfs/dbraw/zinc/76/65/21/773766521.db2.gz YZYOFSZIPWQCHL-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001211065729 773766526 /nfs/dbraw/zinc/76/65/26/773766526.db2.gz YZYOFSZIPWQCHL-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001211256477 773786483 /nfs/dbraw/zinc/78/64/83/773786483.db2.gz HINYGQPLMSGVMP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001211268372 773787909 /nfs/dbraw/zinc/78/79/09/773787909.db2.gz IYSDHGMZYLBTEE-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO COC[C@H](C)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833105 773804959 /nfs/dbraw/zinc/80/49/59/773804959.db2.gz RPOHPYLEBJJMKH-AWEZNQCLSA-N 1 3 301.431 0.134 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1 ZINC001152439630 773904094 /nfs/dbraw/zinc/90/40/94/773904094.db2.gz PYYBVGCNZAKPBT-UHFFFAOYSA-N 1 3 307.442 0.694 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214598076 773999151 /nfs/dbraw/zinc/99/91/51/773999151.db2.gz UMNSOIFGEWJWPE-MCIONIFRSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214598076 773999153 /nfs/dbraw/zinc/99/91/53/773999153.db2.gz UMNSOIFGEWJWPE-MCIONIFRSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC001203925064 774020451 /nfs/dbraw/zinc/02/04/51/774020451.db2.gz JDNMVUGPITXOHZ-UHFFFAOYSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NCC(N)=O ZINC001215226043 774051252 /nfs/dbraw/zinc/05/12/52/774051252.db2.gz DOXFDJCXXPEKRN-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215460787 774074783 /nfs/dbraw/zinc/07/47/83/774074783.db2.gz GCWPCKKMTQXHQB-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001215989986 774097062 /nfs/dbraw/zinc/09/70/62/774097062.db2.gz QBJXXRPIMSYKGA-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001215993875 774097516 /nfs/dbraw/zinc/09/75/16/774097516.db2.gz GJEGCRVHNYZYEI-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001216001916 774098600 /nfs/dbraw/zinc/09/86/00/774098600.db2.gz KIGQOONYAPLNEV-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001216834852 774140407 /nfs/dbraw/zinc/14/04/07/774140407.db2.gz ZSOSGUQGAWWLSO-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001218096496 774211962 /nfs/dbraw/zinc/21/19/62/774211962.db2.gz QZBSDIQOXVAOLT-UXLLHSPISA-N 1 3 303.406 0.953 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199825888 774218629 /nfs/dbraw/zinc/21/86/29/774218629.db2.gz CTLSMQZWSAFDCX-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC001199826854 774218858 /nfs/dbraw/zinc/21/88/58/774218858.db2.gz OTJPJUOHJPDEOC-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO CCOC(=O)c1ccncc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218570356 774250809 /nfs/dbraw/zinc/25/08/09/774250809.db2.gz AVDZMIHZTBWJRQ-BDJLRTHQSA-N 1 3 318.377 0.396 20 0 DCADHO Cn1nc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c2ccc(Cl)nc21 ZINC001218572538 774253020 /nfs/dbraw/zinc/25/30/20/774253020.db2.gz IRSARUMXJBQNEG-VIFPVBQESA-N 1 3 320.784 0.369 20 0 DCADHO CCOc1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1F ZINC001218599777 774259955 /nfs/dbraw/zinc/25/99/55/774259955.db2.gz DZVZITXIUNAHAJ-MEBBXXQBSA-N 1 3 308.357 0.757 20 0 DCADHO Cn1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(C(F)(F)F)n1 ZINC001218599296 774260185 /nfs/dbraw/zinc/26/01/85/774260185.db2.gz USFQKEQOMXIMCO-VIFPVBQESA-N 1 3 305.304 0.704 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nccnc1C(N)=O ZINC001218619126 774264626 /nfs/dbraw/zinc/26/46/26/774264626.db2.gz YQBOOLQVQCBYSS-JTQLQIEISA-N 1 3 308.386 0.010 20 0 DCADHO O=C(Nc1c[nH]c(=O)c(C(F)(F)F)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218690280 774280753 /nfs/dbraw/zinc/28/07/53/774280753.db2.gz JQTXKBFVBPTFBH-VIFPVBQESA-N 1 3 316.283 0.554 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ncccc1CN1CCOCC1 ZINC001218698584 774282126 /nfs/dbraw/zinc/28/21/26/774282126.db2.gz JMOXSSSQLVDYFV-AWEZNQCLSA-N 1 3 321.425 0.309 20 0 DCADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218714056 774286427 /nfs/dbraw/zinc/28/64/27/774286427.db2.gz WRQNTWMHXHANHB-RYUDHWBXSA-N 1 3 323.397 0.671 20 0 DCADHO O=C(Nc1cn2c(cccc2Cl)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218738484 774292275 /nfs/dbraw/zinc/29/22/75/774292275.db2.gz KCINTDZNYXHILJ-VIFPVBQESA-N 1 3 305.769 0.735 20 0 DCADHO Cc1cnn(-c2ccccn2)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218742123 774294049 /nfs/dbraw/zinc/29/40/49/774294049.db2.gz URAKUBGXDAHKRN-LBPRGKRZSA-N 1 3 312.377 0.323 20 0 DCADHO CCOc1cc(C(N)=O)ccc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218815335 774308800 /nfs/dbraw/zinc/30/88/00/774308800.db2.gz JZZNMKCTIIQGPI-CQSZACIVSA-N 1 3 320.393 0.450 20 0 DCADHO Cc1ccc2c(c1NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CNC2=O ZINC001218819274 774310205 /nfs/dbraw/zinc/31/02/05/774310205.db2.gz JXEOYRPDFTZGPX-PIGZYNQJSA-N 1 3 314.389 0.376 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219028011 774350369 /nfs/dbraw/zinc/35/03/69/774350369.db2.gz LKMQGAJOTSKARP-LRDDRELGSA-N 1 3 302.378 0.059 20 0 DCADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCCOC)C1)N(C)C ZINC001200795805 774410586 /nfs/dbraw/zinc/41/05/86/774410586.db2.gz NZFBNIHCQDCVGS-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC1(C)c2ccc(NC(=O)[C@H](N)CCC[NH3+])cc2CNC1=O ZINC001219336436 774453783 /nfs/dbraw/zinc/45/37/83/774453783.db2.gz LHUHIIMDQABHLB-CYBMUJFWSA-N 1 3 304.394 0.599 20 0 DCADHO CN1CCc2cc(NC(=O)[C@H](N)C3CC[NH2+]CC3)ccc2C1=O ZINC001219369942 774468008 /nfs/dbraw/zinc/46/80/08/774468008.db2.gz WDNFHAQLHOMQAL-OAHLLOKOSA-N 1 3 316.405 0.580 20 0 DCADHO COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201494552 774517236 /nfs/dbraw/zinc/51/72/36/774517236.db2.gz VMRZQTWHXXJJFG-GXTWGEPZSA-N 1 3 310.398 0.194 20 0 DCADHO CCOC(=O)c1cc(N)cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219522218 774521387 /nfs/dbraw/zinc/52/13/87/774521387.db2.gz JFSVEGVJBPNLQL-CYBMUJFWSA-N 1 3 318.377 0.193 20 0 DCADHO CC(=O)Nc1ccc(O)c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001219530544 774525357 /nfs/dbraw/zinc/52/53/57/774525357.db2.gz VBNNQEYWHLYSEG-AWEZNQCLSA-N 1 3 306.366 0.616 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CNCc2ccnn2C1 ZINC001219608334 774554958 /nfs/dbraw/zinc/55/49/58/774554958.db2.gz VQADLTYCNUDLIP-BXKDBHETSA-N 1 3 317.315 0.013 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@H](CNCCF)C2)C1 ZINC001201864005 774560588 /nfs/dbraw/zinc/56/05/88/774560588.db2.gz RSNFSXBEKYDRBJ-UONOGXRCSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCO[C@H](CNCCF)C2)C1 ZINC001201864005 774560592 /nfs/dbraw/zinc/56/05/92/774560592.db2.gz RSNFSXBEKYDRBJ-UONOGXRCSA-N 1 3 301.406 0.505 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCCOC)C1 ZINC001201930054 774572488 /nfs/dbraw/zinc/57/24/88/774572488.db2.gz AEQDNQLWHLGNED-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO N[C@@H](CC[NH3+])C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669429 774575903 /nfs/dbraw/zinc/57/59/03/774575903.db2.gz XYGDZVRAPCMCEK-KRWDZBQOSA-N 1 3 318.465 0.733 20 0 DCADHO Cc1cccc2c1[C@H](NC(=O)[C@@H](N)CSCC[NH3+])CCO2 ZINC001219683447 774578329 /nfs/dbraw/zinc/57/83/29/774578329.db2.gz ZZAJXUXGPUFRBO-NWDGAFQWSA-N 1 3 309.435 0.954 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703522 774585099 /nfs/dbraw/zinc/58/50/99/774585099.db2.gz MBSAWUVXDSDGLR-INIZCTEOSA-N 1 3 313.405 0.252 20 0 DCADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744174 774597458 /nfs/dbraw/zinc/59/74/58/774597458.db2.gz UIWDLDONDVMCQB-MJBXVCDLSA-N 1 3 313.417 0.742 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cn1 ZINC001219847313 774626310 /nfs/dbraw/zinc/62/63/10/774626310.db2.gz CQFWPQHIQQOTAQ-WFGGJUAMSA-N 1 3 320.393 0.116 20 0 DCADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ccc2c(c1)CNC2 ZINC001219854857 774629401 /nfs/dbraw/zinc/62/94/01/774629401.db2.gz YSCABBBNMKJCHX-CWRNSKLLSA-N 1 3 301.390 0.644 20 0 DCADHO CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001219891247 774638156 /nfs/dbraw/zinc/63/81/56/774638156.db2.gz QPFSUSWRYHVMNE-IJEWVQPXSA-N 1 3 310.442 0.219 20 0 DCADHO CN(CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O)c1cc[nH+]cc1 ZINC001219910896 774644505 /nfs/dbraw/zinc/64/45/05/774644505.db2.gz XCJDSHQWAUPZMQ-CVEARBPZSA-N 1 3 318.421 0.479 20 0 DCADHO O=C(NCCOc1ccccc1F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219936609 774651719 /nfs/dbraw/zinc/65/17/19/774651719.db2.gz MCEMHAHUOQFQLS-MLGOLLRUSA-N 1 3 307.369 0.520 20 0 DCADHO O=C(NCc1ccc2nonc2c1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219965350 774657214 /nfs/dbraw/zinc/65/72/14/774657214.db2.gz KFQUJLKBKLVAFH-CYBMUJFWSA-N 1 3 315.377 0.713 20 0 DCADHO O=C(NCc1ccc2nonc2c1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219965350 774657215 /nfs/dbraw/zinc/65/72/15/774657215.db2.gz KFQUJLKBKLVAFH-CYBMUJFWSA-N 1 3 315.377 0.713 20 0 DCADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CNCc2ccnn2C1 ZINC001220159644 774713725 /nfs/dbraw/zinc/71/37/25/774713725.db2.gz PSNWUZAZBFQJQX-VBQJREDUSA-N 1 3 317.437 0.641 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001202495507 774721311 /nfs/dbraw/zinc/72/13/11/774721311.db2.gz FIKOHSPBVSUCRV-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496099 774724939 /nfs/dbraw/zinc/72/49/39/774724939.db2.gz OHXHGYKNTIVMHO-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1ccc(C2(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)COC2)cc1 ZINC001220200191 774731312 /nfs/dbraw/zinc/73/13/12/774731312.db2.gz CQFDMBZQYVXNBR-NVXWUHKLSA-N 1 3 315.417 0.536 20 0 DCADHO Cc1ccc(C2(NC(=O)[C@H](N)C3CC[NH2+]CC3)COC2)cc1 ZINC001220202773 774732624 /nfs/dbraw/zinc/73/26/24/774732624.db2.gz JZZUFUIOQXZESB-OAHLLOKOSA-N 1 3 303.406 0.664 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NC1CCN(C(=O)C2CCCC2)CC1 ZINC001220263616 774750033 /nfs/dbraw/zinc/75/00/33/774750033.db2.gz QVTKRHVGKPDVEH-CQSZACIVSA-N 1 3 310.442 0.350 20 0 DCADHO O=C(NCc1cc(C(F)(F)F)ccn1)[C@H]1C[NH2+]CC12CNC2 ZINC001220388293 774791325 /nfs/dbraw/zinc/79/13/25/774791325.db2.gz ONWBXYWEENQNFG-LLVKDONJSA-N 1 3 314.311 0.526 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403376 774796903 /nfs/dbraw/zinc/79/69/03/774796903.db2.gz PINBILLOQWJAMU-GJZGRUSLSA-N 1 3 318.421 0.533 20 0 DCADHO CCS(=O)(=O)c1ccc(CNC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001220490107 774824728 /nfs/dbraw/zinc/82/47/28/774824728.db2.gz TWZDYUVAVMNROP-CYBMUJFWSA-N 1 3 313.423 0.163 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21)C1CC1 ZINC001114410409 774845791 /nfs/dbraw/zinc/84/57/91/774845791.db2.gz VSZMYEUBROKMOM-HZMVEIRTSA-N 1 3 321.465 0.800 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21)C1CC1 ZINC001114410409 774845799 /nfs/dbraw/zinc/84/57/99/774845799.db2.gz VSZMYEUBROKMOM-HZMVEIRTSA-N 1 3 321.465 0.800 20 0 DCADHO O=C(NCC(F)(F)c1ccccn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220569967 774847164 /nfs/dbraw/zinc/84/71/64/774847164.db2.gz WIPBXLOXFKWLOL-BXUZGUMPSA-N 1 3 310.348 0.489 20 0 DCADHO N[C@H](C(=O)N[C@@H]1CCc2ccc(O)cc2C1)C1CC[NH2+]CC1 ZINC001220591915 774856899 /nfs/dbraw/zinc/85/68/99/774856899.db2.gz BQEAUWPGHLVQJB-ZBFHGGJFSA-N 1 3 303.406 0.693 20 0 DCADHO CNC(=O)C[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202526443 774859802 /nfs/dbraw/zinc/85/98/02/774859802.db2.gz HSJZGQIIOVXKJF-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611353 774864102 /nfs/dbraw/zinc/86/41/02/774864102.db2.gz WNZXEFPHSYNZEA-MNOVXSKESA-N 1 3 316.199 0.539 20 0 DCADHO O=C(NCCCOc1cccc(F)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220683920 774889551 /nfs/dbraw/zinc/88/95/51/774889551.db2.gz STUWPGDEZKNRGK-AWEZNQCLSA-N 1 3 307.369 0.520 20 0 DCADHO N[C@H](C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)C1CCOCC1 ZINC001220791303 774916218 /nfs/dbraw/zinc/91/62/18/774916218.db2.gz XQCAETITXMQBRU-HRCADAONSA-N 1 3 318.421 0.602 20 0 DCADHO COc1cccc2[nH]cc(CNC(=O)[C@@H]3C[NH2+]CC34CNC4)c21 ZINC001220812988 774922991 /nfs/dbraw/zinc/92/29/91/774922991.db2.gz WTWWOXLAEUMYAC-LBPRGKRZSA-N 1 3 314.389 0.602 20 0 DCADHO Cc1noc2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cc12 ZINC001220847273 774934544 /nfs/dbraw/zinc/93/45/44/774934544.db2.gz QSUUKYXQYUYBME-CXAGYDPISA-N 1 3 314.389 0.952 20 0 DCADHO O=C(N[C@H]1CCCc2nccnc21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220949241 774959839 /nfs/dbraw/zinc/95/98/39/774959839.db2.gz WEOGYQQVYXWWSY-KBPBESRZSA-N 1 3 315.421 0.844 20 0 DCADHO O=C(N[C@H]1CCCc2nccnc21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220949241 774959842 /nfs/dbraw/zinc/95/98/42/774959842.db2.gz WEOGYQQVYXWWSY-KBPBESRZSA-N 1 3 315.421 0.844 20 0 DCADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976289 774967135 /nfs/dbraw/zinc/96/71/35/774967135.db2.gz SKCVFPCYSURAQY-KKSLWYRISA-N 1 3 309.454 0.846 20 0 DCADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976289 774967140 /nfs/dbraw/zinc/96/71/40/774967140.db2.gz SKCVFPCYSURAQY-KKSLWYRISA-N 1 3 309.454 0.846 20 0 DCADHO CCc1nnc2ccc(CNC(=O)[C@@H](N)C3CC[NH2+]CC3)cn21 ZINC001220992190 774972724 /nfs/dbraw/zinc/97/27/24/774972724.db2.gz HPLUUAYIWBTTSN-HNNXBMFYSA-N 1 3 316.409 0.235 20 0 DCADHO N[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC001221062940 774988065 /nfs/dbraw/zinc/98/80/65/774988065.db2.gz GFUOEOSEHKEQDJ-DOTOQJQBSA-N 1 3 302.422 0.458 20 0 DCADHO CN1CCNC[C@H]1C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130585 775002962 /nfs/dbraw/zinc/00/29/62/775002962.db2.gz YSGMGSNZMVNYPB-HNNXBMFYSA-N 1 3 308.470 0.566 20 0 DCADHO O=C(NCC1(c2ccc(F)cn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221174712 775017003 /nfs/dbraw/zinc/01/70/03/775017003.db2.gz NTBCSQUHSJJVDA-SJKOYZFVSA-N 1 3 318.396 0.568 20 0 DCADHO CCCC(C[NH3+])(CCC)NC(=O)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC001221374732 775079895 /nfs/dbraw/zinc/07/98/95/775079895.db2.gz OJQVPSKZCLYGIV-JSGCOSHPSA-N 1 3 314.474 0.890 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@]34CC[C@H]3C[NH2+]C4)CC2)NC1 ZINC001221390984 775083143 /nfs/dbraw/zinc/08/31/43/775083143.db2.gz JMERSHMAMGJNPO-GUYCJALGSA-N 1 3 302.422 0.554 20 0 DCADHO COc1cccc([C@H](C[NH3+])NC(=O)c2ccc(CN)nc2)c1 ZINC001221402434 775088047 /nfs/dbraw/zinc/08/80/47/775088047.db2.gz ACAAIHVPPGVUIX-HNNXBMFYSA-N 1 3 300.362 0.979 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]1C1CC1 ZINC001221409431 775091420 /nfs/dbraw/zinc/09/14/20/775091420.db2.gz UGBIBQCQOCRPAR-BARDWOONSA-N 1 3 322.453 0.348 20 0 DCADHO O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1CNCc2ccnn2C1 ZINC001221410184 775091792 /nfs/dbraw/zinc/09/17/92/775091792.db2.gz QCBZBOBSPBNSEZ-ZFWWWQNUSA-N 1 3 303.410 0.107 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001222186543 775293974 /nfs/dbraw/zinc/29/39/74/775293974.db2.gz LGNKTMAPAFCIQE-HZSPNIEDSA-N 1 3 319.396 0.168 20 0 DCADHO C[C@H]1CNCC(F)(F)[C@H]1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492112 775366561 /nfs/dbraw/zinc/36/65/61/775366561.db2.gz OLNXOBIZKUWVTJ-XUXIUFHCSA-N 1 3 302.413 0.503 20 0 DCADHO C[C@H]1CNCC(F)(F)[C@@H]1CN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515719 775375698 /nfs/dbraw/zinc/37/56/98/775375698.db2.gz YWDPXHHOQVZZBQ-NWDGAFQWSA-N 1 3 316.396 0.031 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515721 775376509 /nfs/dbraw/zinc/37/65/09/775376509.db2.gz YWDPXHHOQVZZBQ-VXGBXAGGSA-N 1 3 316.396 0.031 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224260839 775551323 /nfs/dbraw/zinc/55/13/23/775551323.db2.gz LAOXXKVEBAJYOR-CQSZACIVSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC ZINC001226615292 775846955 /nfs/dbraw/zinc/84/69/55/775846955.db2.gz UVXLIQRZGWPXKT-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366084 776075864 /nfs/dbraw/zinc/07/58/64/776075864.db2.gz MJDPITPZRLFQNG-ZIAGYGMSSA-N 1 3 308.430 0.284 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC)N(C)C ZINC001228660626 776111350 /nfs/dbraw/zinc/11/13/50/776111350.db2.gz GSKQNTHVBPWLTI-YJNKXOJESA-N 1 3 315.458 0.351 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCc3ccns3)C[C@H]21 ZINC001114778990 776117650 /nfs/dbraw/zinc/11/76/50/776117650.db2.gz VLWVXWDYGQDDKE-NHAGDIPZSA-N 1 3 308.451 0.684 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001229503838 776196340 /nfs/dbraw/zinc/19/63/40/776196340.db2.gz MPAIXLXPAQOCKU-HUUCEWRRSA-N 1 3 322.457 0.674 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1C ZINC001229503838 776196345 /nfs/dbraw/zinc/19/63/45/776196345.db2.gz MPAIXLXPAQOCKU-HUUCEWRRSA-N 1 3 322.457 0.674 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114831844 776199007 /nfs/dbraw/zinc/19/90/07/776199007.db2.gz GTRHXCHLMCLNGJ-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114831844 776199016 /nfs/dbraw/zinc/19/90/16/776199016.db2.gz GTRHXCHLMCLNGJ-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCOC)C[C@H]21)N(C)C ZINC001114849698 776247310 /nfs/dbraw/zinc/24/73/10/776247310.db2.gz WCMGZOQFSKRELH-LJISPDSOSA-N 1 3 313.442 0.036 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCOC)C[C@H]21)N(C)C ZINC001114849698 776247315 /nfs/dbraw/zinc/24/73/15/776247315.db2.gz WCMGZOQFSKRELH-LJISPDSOSA-N 1 3 313.442 0.036 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001114855480 776258729 /nfs/dbraw/zinc/25/87/29/776258729.db2.gz YSYXIWVQXTWAHN-LJISPDSOSA-N 1 3 305.426 0.270 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001114855480 776258740 /nfs/dbraw/zinc/25/87/40/776258740.db2.gz YSYXIWVQXTWAHN-LJISPDSOSA-N 1 3 305.426 0.270 20 0 DCADHO C[C@H](CO)C[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001277994677 945088344 /nfs/dbraw/zinc/08/83/44/945088344.db2.gz QFZVKTDAZJCJBD-HNNXBMFYSA-N 1 3 311.470 0.881 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cn1 ZINC001317625605 945125118 /nfs/dbraw/zinc/12/51/18/945125118.db2.gz GYFGJFKWCXBGAX-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cn1 ZINC001317625605 945125121 /nfs/dbraw/zinc/12/51/21/945125121.db2.gz GYFGJFKWCXBGAX-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCN3CCCC3)C[C@H]2CC1 ZINC001278056293 945121011 /nfs/dbraw/zinc/12/10/11/945121011.db2.gz XJGAKUSBTFVPIF-CALCHBBNSA-N 1 3 322.497 0.814 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCN3CCCC3)C[C@H]2CC1 ZINC001278056293 945121016 /nfs/dbraw/zinc/12/10/16/945121016.db2.gz XJGAKUSBTFVPIF-CALCHBBNSA-N 1 3 322.497 0.814 20 0 DCADHO CC[NH+]1CCC(CN2CC[C@@H](C(N)=O)n3nccc3C2)CC1 ZINC001278134071 945149057 /nfs/dbraw/zinc/14/90/57/945149057.db2.gz LWRUKTSASDTAFA-HNNXBMFYSA-N 1 3 305.426 0.847 20 0 DCADHO CN(C)C(=O)[C@H]1COCCC12C[NH+](C[C@@H]1CCCN(C)C1)C2 ZINC001278149091 945155750 /nfs/dbraw/zinc/15/57/50/945155750.db2.gz WFRQYCWXAGOMBJ-HUUCEWRRSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001278333911 945221951 /nfs/dbraw/zinc/22/19/51/945221951.db2.gz HIZVCKYDDAZJNF-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2nc(C)no2)C1)N(C)C ZINC001266725876 939221461 /nfs/dbraw/zinc/22/14/61/939221461.db2.gz XVDDFTOOXFTWNA-MJBXVCDLSA-N 1 3 323.441 0.888 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001267069342 939330381 /nfs/dbraw/zinc/33/03/81/939330381.db2.gz UPOLIMHREWZPDU-AWEZNQCLSA-N 1 3 322.453 0.047 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001481271344 939687505 /nfs/dbraw/zinc/68/75/05/939687505.db2.gz COMSDCSJCXZVBS-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001481271344 939687506 /nfs/dbraw/zinc/68/75/06/939687506.db2.gz COMSDCSJCXZVBS-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC[NH2+]CCCN1CCCC1=O)C(=O)CN1CCCC1 ZINC001481314590 939742255 /nfs/dbraw/zinc/74/22/55/939742255.db2.gz INTFVCZQGWAMON-UHFFFAOYSA-N 1 3 310.442 0.143 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481344317 939755613 /nfs/dbraw/zinc/75/56/13/939755613.db2.gz WXIRLUPGBAOYFS-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273122917 945277616 /nfs/dbraw/zinc/27/76/16/945277616.db2.gz JTKLUOVHJJFCNZ-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273122917 945277621 /nfs/dbraw/zinc/27/76/21/945277621.db2.gz JTKLUOVHJJFCNZ-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001481522237 939914280 /nfs/dbraw/zinc/91/42/80/939914280.db2.gz ITOIDJJFGFCGGO-MELADBBJSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CCOCCO ZINC001268192510 939986265 /nfs/dbraw/zinc/98/62/65/939986265.db2.gz POGMQELFIHCAGN-UKRRQHHQSA-N 1 3 324.425 0.178 20 0 DCADHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001268422351 940117021 /nfs/dbraw/zinc/11/70/21/940117021.db2.gz ALVQGDSGHGOGQI-KGLIPLIRSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001268422351 940117022 /nfs/dbraw/zinc/11/70/22/940117022.db2.gz ALVQGDSGHGOGQI-KGLIPLIRSA-N 1 3 307.442 0.839 20 0 DCADHO CCNC(=O)C[NH2+]C[C@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001481941683 940190307 /nfs/dbraw/zinc/19/03/07/940190307.db2.gz WSYNZOJVXWNIFZ-GUYCJALGSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CCNCC(=O)NCC1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268496957 940194184 /nfs/dbraw/zinc/19/41/84/940194184.db2.gz BJMQAOWNZCBVFF-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(CCNCC(=O)NCC1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268496957 940194188 /nfs/dbraw/zinc/19/41/88/940194188.db2.gz BJMQAOWNZCBVFF-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO O[C@]1(CN[C@@H]2CCNC[C@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001245971748 945302556 /nfs/dbraw/zinc/30/25/56/945302556.db2.gz GYNAFOWXCDTRIC-ZACQAIPSSA-N 1 3 307.413 0.913 20 0 DCADHO O[C@]1(CN[C@@H]2CCNC[C@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001245971748 945302561 /nfs/dbraw/zinc/30/25/61/945302561.db2.gz GYNAFOWXCDTRIC-ZACQAIPSSA-N 1 3 307.413 0.913 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001268539736 940224176 /nfs/dbraw/zinc/22/41/76/940224176.db2.gz WXSWOPLVRXLJCX-AFNCTOJWSA-N 1 3 324.469 0.777 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001268551688 940230592 /nfs/dbraw/zinc/23/05/92/940230592.db2.gz IKVNBRBJVHDFLG-OZMYFSDFSA-N 1 3 312.458 0.311 20 0 DCADHO O[C@H](CNC1CN(C2CC[NH2+]CC2)C1)COc1cccc(F)c1 ZINC001245991966 945307138 /nfs/dbraw/zinc/30/71/38/945307138.db2.gz WZTIBIBVRSORNM-MRXNPFEDSA-N 1 3 323.412 0.591 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+][C@H](C)C(N)=O ZINC001482145409 940282988 /nfs/dbraw/zinc/28/29/88/940282988.db2.gz YRRRTTMDHKCUBN-NWDGAFQWSA-N 1 3 300.447 0.180 20 0 DCADHO COC(=O)[C@H](O)CN[C@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001245998762 945310289 /nfs/dbraw/zinc/31/02/89/945310289.db2.gz IISPLNMRMFACEC-CABCVRRESA-N 1 3 310.369 0.990 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001268799192 940364788 /nfs/dbraw/zinc/36/47/88/940364788.db2.gz UMQDGFKPWRQUIV-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCNC2)cc1 ZINC001246012477 945314028 /nfs/dbraw/zinc/31/40/28/945314028.db2.gz ZZVMAZVTODQXTM-HZPDHXFCSA-N 1 3 308.422 0.957 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001269186284 940642310 /nfs/dbraw/zinc/64/23/10/940642310.db2.gz CMBYXYNXAGEWHE-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@]1(C[NH2+]CCn2cccn2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001270807153 940996825 /nfs/dbraw/zinc/99/68/25/940996825.db2.gz VOQBLWASCFAUSS-MRXNPFEDSA-N 1 3 316.409 0.677 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001482356998 941019251 /nfs/dbraw/zinc/01/92/51/941019251.db2.gz UTWVWCQZOXXFIV-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001409063233 941303329 /nfs/dbraw/zinc/30/33/29/941303329.db2.gz UFMXHMBRBNZJPK-UHFFFAOYSA-N 1 3 319.409 0.155 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC[C@@]3(CCC[N@H+](C)C3)C2)CC1 ZINC001271801205 941454794 /nfs/dbraw/zinc/45/47/94/941454794.db2.gz DYOYMUDHYWCSEV-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC[C@@]3(CCC[N@@H+](C)C3)C2)CC1 ZINC001271801205 941454795 /nfs/dbraw/zinc/45/47/95/941454795.db2.gz DYOYMUDHYWCSEV-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCOC ZINC001423541865 941544157 /nfs/dbraw/zinc/54/41/57/941544157.db2.gz IMZAZHIMMDEFCM-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC001423541865 941544159 /nfs/dbraw/zinc/54/41/59/941544159.db2.gz IMZAZHIMMDEFCM-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001409149299 941553373 /nfs/dbraw/zinc/55/33/73/941553373.db2.gz CAKMNKDQCHHAHH-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409149299 941553376 /nfs/dbraw/zinc/55/33/76/941553376.db2.gz CAKMNKDQCHHAHH-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNC/C=C/Cl ZINC001482799132 941673907 /nfs/dbraw/zinc/67/39/07/941673907.db2.gz NKIJEILSTJFKCO-DIECRNLCSA-N 1 3 303.834 0.682 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C1CC[NH+](C)CC1 ZINC001482866718 941693358 /nfs/dbraw/zinc/69/33/58/941693358.db2.gz CGJBRGXSHGULNG-NSHDSACASA-N 1 3 311.455 0.864 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001483054031 941812257 /nfs/dbraw/zinc/81/22/57/941812257.db2.gz JPISRLSKENAKCT-AFNCTOJWSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409402385 941982465 /nfs/dbraw/zinc/98/24/65/941982465.db2.gz MIGNIPWRHBGVJO-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO O=C(C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CC[C@H](N2CCCC2)C1 ZINC000905008776 941996076 /nfs/dbraw/zinc/99/60/76/941996076.db2.gz AGHCHVVOHIDAHU-YOEHRIQHSA-N 1 3 320.437 0.038 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCn1cccn1 ZINC001409470280 942011211 /nfs/dbraw/zinc/01/12/11/942011211.db2.gz QENABOLTQQFMAE-RYUDHWBXSA-N 1 3 304.398 0.640 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001483285821 942237726 /nfs/dbraw/zinc/23/77/26/942237726.db2.gz GRJGMEVZRDFXFQ-ZFWWWQNUSA-N 1 3 309.458 0.643 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001077440957 942418386 /nfs/dbraw/zinc/41/83/86/942418386.db2.gz YSIOKFZXHBRHST-BRWVUGGUSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001077440957 942418389 /nfs/dbraw/zinc/41/83/89/942418389.db2.gz YSIOKFZXHBRHST-BRWVUGGUSA-N 1 3 321.465 0.822 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001127066562 942425536 /nfs/dbraw/zinc/42/55/36/942425536.db2.gz QAZHYRWRVNHIKT-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001127066562 942425539 /nfs/dbraw/zinc/42/55/39/942425539.db2.gz QAZHYRWRVNHIKT-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001483599108 942451531 /nfs/dbraw/zinc/45/15/31/942451531.db2.gz PVIMLPSYBMCKKB-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001483599108 942451538 /nfs/dbraw/zinc/45/15/38/942451538.db2.gz PVIMLPSYBMCKKB-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001483933585 943034650 /nfs/dbraw/zinc/03/46/50/943034650.db2.gz LFQFPOLTZSMTML-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCn2cncn2)C1)N(C)C ZINC001484547138 943448581 /nfs/dbraw/zinc/44/85/81/943448581.db2.gz NKAWQOWMBGAUBE-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@H+](CCO)C2 ZINC001484612082 943472873 /nfs/dbraw/zinc/47/28/73/943472873.db2.gz GYLJGJAPQHYGAD-UHFFFAOYSA-N 1 3 319.449 0.995 20 0 DCADHO CCCN(C)CC(=O)NCc1cccc2c1CC[N@@H+](CCO)C2 ZINC001484612082 943472875 /nfs/dbraw/zinc/47/28/75/943472875.db2.gz GYLJGJAPQHYGAD-UHFFFAOYSA-N 1 3 319.449 0.995 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)N2CCCC2)CCC1 ZINC001484659811 943498471 /nfs/dbraw/zinc/49/84/71/943498471.db2.gz RGUYZTYDKJEFGJ-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1)C1CC1 ZINC001484662709 943499165 /nfs/dbraw/zinc/49/91/65/943499165.db2.gz RWHCPYRNIZVHEE-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1)C1CC1 ZINC001484662709 943499167 /nfs/dbraw/zinc/49/91/67/943499167.db2.gz RWHCPYRNIZVHEE-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](NCC(=O)NCC(C)(C)C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001485189624 943745484 /nfs/dbraw/zinc/74/54/84/943745484.db2.gz NDUUXWSXRVNPOC-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001485344704 943857542 /nfs/dbraw/zinc/85/75/42/943857542.db2.gz FAPHHXLDWNXYTK-OAHLLOKOSA-N 1 3 309.458 0.888 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001491251158 943866997 /nfs/dbraw/zinc/86/69/97/943866997.db2.gz GYRZNUNBSCCRMK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001491455588 944010926 /nfs/dbraw/zinc/01/09/26/944010926.db2.gz RRAJMJVVIJHDID-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001491455588 944010932 /nfs/dbraw/zinc/01/09/32/944010932.db2.gz RRAJMJVVIJHDID-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491456762 944012365 /nfs/dbraw/zinc/01/23/65/944012365.db2.gz JTUUZRRAPGPFAB-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1nccc1CN1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272738677 944174710 /nfs/dbraw/zinc/17/47/10/944174710.db2.gz LLANOGDVZVKUFP-MRXNPFEDSA-N 1 3 305.426 0.406 20 0 DCADHO CN1CCN(C[C@@H]2CCC[N@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001276497482 944192975 /nfs/dbraw/zinc/19/29/75/944192975.db2.gz XBLLKHNERXEAIO-NVXWUHKLSA-N 1 3 308.470 0.615 20 0 DCADHO CN1CCN(C[C@@H]2CCC[N@@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001276497482 944192978 /nfs/dbraw/zinc/19/29/78/944192978.db2.gz XBLLKHNERXEAIO-NVXWUHKLSA-N 1 3 308.470 0.615 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cc[nH]c(=O)c4)CC3)[C@H]2C1 ZINC001276615030 944233145 /nfs/dbraw/zinc/23/31/45/944233145.db2.gz UCOFQLSYZJRLIH-KBPBESRZSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(Cc4cc[nH]c(=O)c4)CC3)[C@H]2C1 ZINC001276615030 944233152 /nfs/dbraw/zinc/23/31/52/944233152.db2.gz UCOFQLSYZJRLIH-KBPBESRZSA-N 1 3 316.405 0.429 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001485930120 944416775 /nfs/dbraw/zinc/41/67/75/944416775.db2.gz LRJJVOGAJFCJFE-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)N[C@@H](C)C(N)=O ZINC001485959309 944449106 /nfs/dbraw/zinc/44/91/06/944449106.db2.gz OXTYKIKGYBGKNX-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO COCCCCN1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276919509 944594358 /nfs/dbraw/zinc/59/43/58/944594358.db2.gz CSSHSNBFARIPDQ-OAHLLOKOSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@H](C(=O)NCCCN(C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001316846050 944595220 /nfs/dbraw/zinc/59/52/20/944595220.db2.gz ANCPBBQIIKPHDB-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(N)=O)[C@@H]2C1 ZINC001486165974 944616613 /nfs/dbraw/zinc/61/66/13/944616613.db2.gz IAPNNQZSJSQAQR-MJBXVCDLSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001493593524 944641093 /nfs/dbraw/zinc/64/10/93/944641093.db2.gz YRHUNACLQSSWBI-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001486250946 944671884 /nfs/dbraw/zinc/67/18/84/944671884.db2.gz ZYWKPXVMMQRHOL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486250946 944671891 /nfs/dbraw/zinc/67/18/91/944671891.db2.gz ZYWKPXVMMQRHOL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1C[C@H]1CN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001277140387 944675891 /nfs/dbraw/zinc/67/58/91/944675891.db2.gz XGVIYOIHSBHDSP-PAPYEOQZSA-N 1 3 320.437 0.539 20 0 DCADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cccc(=O)n3C)[C@@H]2C1 ZINC001277316916 944757736 /nfs/dbraw/zinc/75/77/36/944757736.db2.gz XJJQTJJXHBSJMQ-GOEBONIOSA-N 1 3 304.438 0.453 20 0 DCADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cccc(=O)n3C)[C@@H]2C1 ZINC001277316916 944757742 /nfs/dbraw/zinc/75/77/42/944757742.db2.gz XJJQTJJXHBSJMQ-GOEBONIOSA-N 1 3 304.438 0.453 20 0 DCADHO COC(=O)[C@H](C)CN1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277512491 944852532 /nfs/dbraw/zinc/85/25/32/944852532.db2.gz QTGVRNGVLVGSEA-TZMCWYRMSA-N 1 3 323.437 0.328 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C)cn1 ZINC001486424910 944871413 /nfs/dbraw/zinc/87/14/13/944871413.db2.gz XSZQPDGYLHJUNG-CABCVRRESA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C)cn1 ZINC001486424910 944871419 /nfs/dbraw/zinc/87/14/19/944871419.db2.gz XSZQPDGYLHJUNG-CABCVRRESA-N 1 3 321.469 0.992 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC001486481462 944915736 /nfs/dbraw/zinc/91/57/36/944915736.db2.gz OUVOUXMYORGNBF-UHFFFAOYSA-N 1 3 322.457 0.626 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC001486481462 944915744 /nfs/dbraw/zinc/91/57/44/944915744.db2.gz OUVOUXMYORGNBF-UHFFFAOYSA-N 1 3 322.457 0.626 20 0 DCADHO CNC(=O)C(C)(C)N[C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001277640192 944923361 /nfs/dbraw/zinc/92/33/61/944923361.db2.gz ZSEGKKGWFOTFRW-SJORKVTESA-N 1 3 324.469 0.624 20 0 DCADHO CN(CCOCC[NH2+]C/C=C/Cl)C(=O)[C@H]1CCCN1C ZINC001486493312 944926027 /nfs/dbraw/zinc/92/60/27/944926027.db2.gz SQSWVTUTTVZQNC-DIECRNLCSA-N 1 3 303.834 0.898 20 0 DCADHO COC(=O)C[C@@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246358437 945390972 /nfs/dbraw/zinc/39/09/72/945390972.db2.gz PKADZBUBWBOOFT-TZMCWYRMSA-N 1 3 304.394 0.369 20 0 DCADHO NC1(C(=O)NCc2ccccc2)CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC001246377568 945400613 /nfs/dbraw/zinc/40/06/13/945400613.db2.gz GWWXZDLIWGCNDQ-MRXNPFEDSA-N 1 3 316.449 0.848 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CCCC[C@H]2[NH3+])C[C@H]1C(=O)OC ZINC001246479285 945417207 /nfs/dbraw/zinc/41/72/07/945417207.db2.gz STDFYFBQEIFEBX-MRTXSQPYSA-N 1 3 312.410 0.977 20 0 DCADHO [NH3+][C@@H]1CCN([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246556710 945432006 /nfs/dbraw/zinc/43/20/06/945432006.db2.gz COYHETKLKAVJOE-BRWVUGGUSA-N 1 3 317.433 0.962 20 0 DCADHO N[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246556710 945432013 /nfs/dbraw/zinc/43/20/13/945432013.db2.gz COYHETKLKAVJOE-BRWVUGGUSA-N 1 3 317.433 0.962 20 0 DCADHO N[C@@H]1CC[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246556710 945432020 /nfs/dbraw/zinc/43/20/20/945432020.db2.gz COYHETKLKAVJOE-BRWVUGGUSA-N 1 3 317.433 0.962 20 0 DCADHO C[C@@H]1C[C@H](N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)CC[NH2+]1 ZINC001246708407 945467112 /nfs/dbraw/zinc/46/71/12/945467112.db2.gz JSHVONUXQOZOOG-WCVJEAGWSA-N 1 3 317.437 0.754 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CCN1 ZINC001246724742 945471997 /nfs/dbraw/zinc/47/19/97/945471997.db2.gz YNXKSVAVTQYVBO-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CCN1 ZINC001246724742 945472001 /nfs/dbraw/zinc/47/20/01/945472001.db2.gz YNXKSVAVTQYVBO-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1C[C@@H](N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CC[NH2+]1 ZINC001246724742 945472005 /nfs/dbraw/zinc/47/20/05/945472005.db2.gz YNXKSVAVTQYVBO-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3)C[C@@H]2C1 ZINC001246765202 945486054 /nfs/dbraw/zinc/48/60/54/945486054.db2.gz IHBASLLYBCVJRE-XHSDSOJGSA-N 1 3 300.406 0.837 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3)C[C@@H]2C1 ZINC001246765202 945486058 /nfs/dbraw/zinc/48/60/58/945486058.db2.gz IHBASLLYBCVJRE-XHSDSOJGSA-N 1 3 300.406 0.837 20 0 DCADHO Cc1cc(C)nc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246787978 945490511 /nfs/dbraw/zinc/49/05/11/945490511.db2.gz GMUIZUURLXIMPN-OAHLLOKOSA-N 1 3 316.453 0.309 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246870934 945510114 /nfs/dbraw/zinc/51/01/14/945510114.db2.gz LUVACWMFSSEWGY-OAGGEKHMSA-N 1 3 324.469 0.025 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCc1cnn(C)c1 ZINC001319243316 945531635 /nfs/dbraw/zinc/53/16/35/945531635.db2.gz CMZBAURPDJTWQD-GJZGRUSLSA-N 1 3 321.469 0.646 20 0 DCADHO C[C@H]([NH2+]CCOCCO)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001319819011 945672155 /nfs/dbraw/zinc/67/21/55/945672155.db2.gz IZURWKRYMLPIAL-UONOGXRCSA-N 1 3 324.425 0.178 20 0 DCADHO O[C@H](C[NH2+]CCc1c[nH]c2ccncc12)CN1CCOCC1 ZINC001251046735 945730183 /nfs/dbraw/zinc/73/01/83/945730183.db2.gz SJUBTCUPXAFYAF-CQSZACIVSA-N 1 3 304.394 0.388 20 0 DCADHO CN1CCCN(CC[NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC001251239021 945747979 /nfs/dbraw/zinc/74/79/79/945747979.db2.gz LYIPEEBLFHSAID-MRXNPFEDSA-N 1 3 307.438 0.653 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+]CCC(=O)NCc1ccccc1 ZINC001253208461 946092446 /nfs/dbraw/zinc/09/24/46/946092446.db2.gz RAJZAUUSJHFHQL-MRXNPFEDSA-N 1 3 307.438 0.985 20 0 DCADHO O=C1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCN1 ZINC001254029024 946223230 /nfs/dbraw/zinc/22/32/30/946223230.db2.gz BKSSUFSREMTZRW-UHFFFAOYSA-N 1 3 317.433 0.835 20 0 DCADHO O=C1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCN1 ZINC001254029024 946223244 /nfs/dbraw/zinc/22/32/44/946223244.db2.gz BKSSUFSREMTZRW-UHFFFAOYSA-N 1 3 317.433 0.835 20 0 DCADHO NC(=O)C1(NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254047463 946227739 /nfs/dbraw/zinc/22/77/39/946227739.db2.gz QZGKJAULHQYNCH-UHFFFAOYSA-N 1 3 303.406 0.621 20 0 DCADHO CN1CC[C@H](N(c2ncccn2)[C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001255431539 946506131 /nfs/dbraw/zinc/50/61/31/946506131.db2.gz KQWFINPJGQYPEG-GJZGRUSLSA-N 1 3 317.437 0.898 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001410533632 946525257 /nfs/dbraw/zinc/52/52/57/946525257.db2.gz ZDKUKINQNMFCKM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001322088019 946572866 /nfs/dbraw/zinc/57/28/66/946572866.db2.gz KEKNVEGNOKMRPZ-KBPBESRZSA-N 1 3 308.430 0.247 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C1CCC(N2CCOCC2)CC1 ZINC001256695655 946654543 /nfs/dbraw/zinc/65/45/43/946654543.db2.gz IRZSZUSDFPHNRV-OFLPRAFFSA-N 1 3 311.470 0.892 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+]CCn2cncn2)CC1 ZINC001322757442 946794151 /nfs/dbraw/zinc/79/41/51/946794151.db2.gz SGLAMRWQZKZWSJ-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO CCCN1CCC(N([C@H]2CCC[NH2+]C2)S(C)(=O)=O)CC1 ZINC001258776975 946861567 /nfs/dbraw/zinc/86/15/67/946861567.db2.gz KBVWGJZOSFIFPR-AWEZNQCLSA-N 1 3 303.472 0.874 20 0 DCADHO CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001273365788 946864025 /nfs/dbraw/zinc/86/40/25/946864025.db2.gz NUALHJLFLNQYSY-OAHLLOKOSA-N 1 3 315.458 0.569 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001410811701 946982890 /nfs/dbraw/zinc/98/28/90/946982890.db2.gz HKQYPHKHPJNVIQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001410845159 947019440 /nfs/dbraw/zinc/01/94/40/947019440.db2.gz DPWJJPLYDYAIIY-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001410853293 947029924 /nfs/dbraw/zinc/02/99/24/947029924.db2.gz MACJXTSOTZWOQY-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001410862326 947043691 /nfs/dbraw/zinc/04/36/91/947043691.db2.gz KKAVTFPUSSXIQQ-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001410862326 947043702 /nfs/dbraw/zinc/04/37/02/947043702.db2.gz KKAVTFPUSSXIQQ-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001410916073 947115733 /nfs/dbraw/zinc/11/57/33/947115733.db2.gz LGWUEUBUJXGNGA-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001410916073 947115740 /nfs/dbraw/zinc/11/57/40/947115740.db2.gz LGWUEUBUJXGNGA-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001411023907 947243743 /nfs/dbraw/zinc/24/37/43/947243743.db2.gz SNTAFHBDTMQUKF-MRXNPFEDSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)CN1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001446892275 1013071948 /nfs/dbraw/zinc/07/19/48/1013071948.db2.gz VHJZRRFCWWQHGM-AWEZNQCLSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001273428398 947351065 /nfs/dbraw/zinc/35/10/65/947351065.db2.gz UZNTVBBSJDTGTD-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001273428398 947351074 /nfs/dbraw/zinc/35/10/74/947351074.db2.gz UZNTVBBSJDTGTD-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[NH2+]CCNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001263103722 947809125 /nfs/dbraw/zinc/80/91/25/947809125.db2.gz JRHFRDLRCSCUHC-ZDUSSCGKSA-N 1 3 304.394 0.628 20 0 DCADHO CCNC(=O)CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273698918 948027623 /nfs/dbraw/zinc/02/76/23/948027623.db2.gz GLMHZZWNWTZSAF-KRWDZBQOSA-N 1 3 324.469 0.389 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC001326183341 948085170 /nfs/dbraw/zinc/08/51/70/948085170.db2.gz PYIKTTWFPZFAJW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001326847545 948299812 /nfs/dbraw/zinc/29/98/12/948299812.db2.gz RVJIWUMNWCQKJQ-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001326847546 948300563 /nfs/dbraw/zinc/30/05/63/948300563.db2.gz RVJIWUMNWCQKJQ-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCO[C@@H](CNC/C=C/Cl)C2)CC1 ZINC001327019318 948365073 /nfs/dbraw/zinc/36/50/73/948365073.db2.gz KGJYCESIBKEWHB-IWZWCOEHSA-N 1 3 315.845 0.898 20 0 DCADHO CCCCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001328127445 948715837 /nfs/dbraw/zinc/71/58/37/948715837.db2.gz DRECBUIVEJUSKC-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328127445 948715842 /nfs/dbraw/zinc/71/58/42/948715842.db2.gz DRECBUIVEJUSKC-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001264583935 949019274 /nfs/dbraw/zinc/01/92/74/949019274.db2.gz HHRFBQAMFYGAAW-UHFFFAOYSA-N 1 3 319.409 0.394 20 0 DCADHO CN1CC[NH+](CC2(C)CCN(CCNC(=O)C3CC3)CC2)CC1 ZINC001364384861 949165493 /nfs/dbraw/zinc/16/54/93/949165493.db2.gz IWOVSJHRJWRCGO-UHFFFAOYSA-N 1 3 322.497 0.862 20 0 DCADHO COCC[N@@H+]1CCN(C[C@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001364445847 949311709 /nfs/dbraw/zinc/31/17/09/949311709.db2.gz VDODKTDHUOEPFN-MRXNPFEDSA-N 1 3 313.486 0.997 20 0 DCADHO COCC[N@H+]1CCN(C[C@H](C)CN2CCOCC2)C(C)(C)C1 ZINC001364445847 949311724 /nfs/dbraw/zinc/31/17/24/949311724.db2.gz VDODKTDHUOEPFN-MRXNPFEDSA-N 1 3 313.486 0.997 20 0 DCADHO CCn1nnc(C)c1C[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC001364574254 949574632 /nfs/dbraw/zinc/57/46/32/949574632.db2.gz GPNHYDUUNVHLPT-CQSZACIVSA-N 1 3 308.474 0.970 20 0 DCADHO C[NH+](C)CCc1cccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1 ZINC001364996630 950321086 /nfs/dbraw/zinc/32/10/86/950321086.db2.gz HSZYICMRVJCMAC-INIZCTEOSA-N 1 3 317.433 0.994 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(CCCC[NH3+])nn1 ZINC001330641742 950565423 /nfs/dbraw/zinc/56/54/23/950565423.db2.gz ZBBLBFKRSDZAJG-ZIAGYGMSSA-N 1 3 306.414 0.326 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001274481214 951657232 /nfs/dbraw/zinc/65/72/32/951657232.db2.gz FLYLTKLHMCCYRZ-GXMNPTEKSA-N 1 3 324.469 0.503 20 0 DCADHO CCOC[C@@H](O)CN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274565698 951702472 /nfs/dbraw/zinc/70/24/72/951702472.db2.gz MGGGBZCLHXHJLK-HOCLYGCPSA-N 1 3 313.442 0.012 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274752403 951823354 /nfs/dbraw/zinc/82/33/54/951823354.db2.gz ASJYABIXQYUZMQ-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO O=C1CC[C@@H](C[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)N1 ZINC001275185929 951991751 /nfs/dbraw/zinc/99/17/51/951991751.db2.gz FLNBSIMTFZFKAR-XHSDSOJGSA-N 1 3 317.437 0.832 20 0 DCADHO O=C1CC[C@@H](C[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)N1 ZINC001275185929 951991747 /nfs/dbraw/zinc/99/17/47/951991747.db2.gz FLNBSIMTFZFKAR-XHSDSOJGSA-N 1 3 317.437 0.832 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001334072843 952235959 /nfs/dbraw/zinc/23/59/59/952235959.db2.gz RLQODFGCWHKWRO-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](N2CC=CC2)C1 ZINC001334246934 952269329 /nfs/dbraw/zinc/26/93/29/952269329.db2.gz LBWUOWPEXADFMP-QWHCGFSZSA-N 1 3 314.380 0.887 20 0 DCADHO CNc1nccc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)n1 ZINC001275901563 952513302 /nfs/dbraw/zinc/51/33/02/952513302.db2.gz ILQDXYJUVJHJAO-UHFFFAOYSA-N 1 3 318.469 0.978 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC001335935403 952622543 /nfs/dbraw/zinc/62/25/43/952622543.db2.gz XJKDNASQACTITD-MRXNPFEDSA-N 1 3 313.486 0.660 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCNCCC12CCC2 ZINC001337322022 952843024 /nfs/dbraw/zinc/84/30/24/952843024.db2.gz IPSQDJRXUOWZDC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CCCN1C ZINC001416649047 952847923 /nfs/dbraw/zinc/84/79/23/952847923.db2.gz XBAUILHMOKTJRN-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC1 ZINC001340334429 953162994 /nfs/dbraw/zinc/16/29/94/953162994.db2.gz DQJQFYYZYLJDPV-BARDWOONSA-N 1 3 323.437 0.361 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341685775 953245288 /nfs/dbraw/zinc/24/52/88/953245288.db2.gz WWUABLHZWODXDW-SEBNEYGDSA-N 1 3 322.453 0.029 20 0 DCADHO C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001342265434 953279971 /nfs/dbraw/zinc/27/99/71/953279971.db2.gz AEEHQNWWCNIEJM-NWDGAFQWSA-N 1 3 314.817 0.472 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCn2cncn2)C1 ZINC001282084257 953493588 /nfs/dbraw/zinc/49/35/88/953493588.db2.gz OXLYZEJPFPYGBI-UHFFFAOYSA-N 1 3 308.430 0.103 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CC12CC[NH+](CCCO)CC2)N(C)C ZINC001366021678 953588937 /nfs/dbraw/zinc/58/89/37/953588937.db2.gz UTUDFDXVISQSHD-LSDHHAIUSA-N 1 3 311.470 0.926 20 0 DCADHO CCN(C)C(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366069006 953644897 /nfs/dbraw/zinc/64/48/97/953644897.db2.gz UKKIHLDLVXAXOL-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366069006 953644905 /nfs/dbraw/zinc/64/49/05/953644905.db2.gz UKKIHLDLVXAXOL-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001345469369 953668081 /nfs/dbraw/zinc/66/80/81/953668081.db2.gz FUSFMGDQDACMLD-HNNXBMFYSA-N 1 3 318.421 0.314 20 0 DCADHO CCOCCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001282833345 953689618 /nfs/dbraw/zinc/68/96/18/953689618.db2.gz NJUHFLANIIEBHD-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)C1CCC1 ZINC001366112547 953702155 /nfs/dbraw/zinc/70/21/55/953702155.db2.gz IGCMZSJSPHZOTA-JOCQHMNTSA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366194475 953805464 /nfs/dbraw/zinc/80/54/64/953805464.db2.gz VBJDOQSBIYPSHF-QLFBSQMISA-N 1 3 315.458 0.162 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@@H](CC)C(N)=O)CC1 ZINC001366248677 953891914 /nfs/dbraw/zinc/89/19/14/953891914.db2.gz PSWMQUSDZNNPEN-RUXDESIVSA-N 1 3 312.458 0.609 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283026398 953930455 /nfs/dbraw/zinc/93/04/55/953930455.db2.gz ZAMIMFAYLJQSEE-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283026398 953930460 /nfs/dbraw/zinc/93/04/60/953930460.db2.gz ZAMIMFAYLJQSEE-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001283030788 953937101 /nfs/dbraw/zinc/93/71/01/953937101.db2.gz LIBHXVLUHLFXKQ-CABCVRRESA-N 1 3 324.469 0.147 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)NC1CC1 ZINC001366288401 953964252 /nfs/dbraw/zinc/96/42/52/953964252.db2.gz MOTUQKIXFPGSOA-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001366330811 954036959 /nfs/dbraw/zinc/03/69/59/954036959.db2.gz YXNCTRAZJZZGJG-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366417012 954173129 /nfs/dbraw/zinc/17/31/29/954173129.db2.gz WBSGAFIOVVKIFC-DZGCQCFKSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccnn1C ZINC001366475967 954254087 /nfs/dbraw/zinc/25/40/87/954254087.db2.gz ONGQLEUEIIVPQL-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)C[C@H]1C[C@]12CCOC2)C1CCC1 ZINC001366536351 954371732 /nfs/dbraw/zinc/37/17/32/954371732.db2.gz KSNKBAUZRDQAAV-PBHICJAKSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)C[C@H]1C[C@]12CCOC2)C1CCC1 ZINC001366536351 954371744 /nfs/dbraw/zinc/37/17/44/954371744.db2.gz KSNKBAUZRDQAAV-PBHICJAKSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001349473264 954767797 /nfs/dbraw/zinc/76/77/97/954767797.db2.gz LSSPSWUKPIVHFB-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001366832985 954906149 /nfs/dbraw/zinc/90/61/49/954906149.db2.gz XICCOWSLGKDUKH-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001366832985 954906154 /nfs/dbraw/zinc/90/61/54/954906154.db2.gz XICCOWSLGKDUKH-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001366854652 954940317 /nfs/dbraw/zinc/94/03/17/954940317.db2.gz UPNPJJMLNXOWDO-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366854652 954940327 /nfs/dbraw/zinc/94/03/27/954940327.db2.gz UPNPJJMLNXOWDO-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001366874529 954975590 /nfs/dbraw/zinc/97/55/90/954975590.db2.gz PDHZLRSHMIQDBZ-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CCOCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284491963 955123506 /nfs/dbraw/zinc/12/35/06/955123506.db2.gz FVTMMMMCTOBTRO-QLFBSQMISA-N 1 3 315.458 0.114 20 0 DCADHO CCOCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284491963 955123511 /nfs/dbraw/zinc/12/35/11/955123511.db2.gz FVTMMMMCTOBTRO-QLFBSQMISA-N 1 3 315.458 0.114 20 0 DCADHO CCCN(C)CC(=O)NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001366986458 955156394 /nfs/dbraw/zinc/15/63/94/955156394.db2.gz RZKZYBRVIPXSIE-NVXWUHKLSA-N 1 3 309.454 0.803 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1)[NH+](C)C ZINC001367219673 955471361 /nfs/dbraw/zinc/47/13/61/955471361.db2.gz GKEFDKAVYMZWQS-GDBMZVCRSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CCCNC(=O)CC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC001352351920 955596285 /nfs/dbraw/zinc/59/62/85/955596285.db2.gz XBQOFTCRQNNUPA-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001367321121 955642738 /nfs/dbraw/zinc/64/27/38/955642738.db2.gz VQAXRMLOJPYZJF-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)N2CCC2)CCCC1)N(C)C ZINC001367325162 955644291 /nfs/dbraw/zinc/64/42/91/955644291.db2.gz SGUUATZPERZSNK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001416108984 956538566 /nfs/dbraw/zinc/53/85/66/956538566.db2.gz NPLULOYMLOIDCB-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001416108984 956538580 /nfs/dbraw/zinc/53/85/80/956538580.db2.gz NPLULOYMLOIDCB-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO [NH3+]CCCSCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001357384244 957262615 /nfs/dbraw/zinc/26/26/15/957262615.db2.gz IBZFEUDBHURAIS-QWHCGFSZSA-N 1 3 301.456 0.438 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)CN1CCCC1 ZINC001294089662 957480563 /nfs/dbraw/zinc/48/05/63/957480563.db2.gz RSIPWGFJNYKKOG-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)CN1CCCC1 ZINC001294089662 957480565 /nfs/dbraw/zinc/48/05/65/957480565.db2.gz RSIPWGFJNYKKOG-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001367358821 957713006 /nfs/dbraw/zinc/71/30/06/957713006.db2.gz MORRXPLIYDDAII-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001367396107 957766086 /nfs/dbraw/zinc/76/60/86/957766086.db2.gz KOBSYAZTJGRSPX-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH+]1CCC(CN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001414133273 957778696 /nfs/dbraw/zinc/77/86/96/957778696.db2.gz NEDHTBXBMUWYTC-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccnn1C)C(C)C)N(C)C ZINC001367471402 957858268 /nfs/dbraw/zinc/85/82/68/957858268.db2.gz FGWSAICPNZMIOQ-LSDHHAIUSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001367483541 957875247 /nfs/dbraw/zinc/87/52/47/957875247.db2.gz IYVRCIMJWBIWEG-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001367483529 957876493 /nfs/dbraw/zinc/87/64/93/957876493.db2.gz IYVRCIMJWBIWEG-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001367633706 958231812 /nfs/dbraw/zinc/23/18/12/958231812.db2.gz BZVHCPOJHXMRKS-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nn(C)cc1CC(=O)N[C@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001367673848 958330849 /nfs/dbraw/zinc/33/08/49/958330849.db2.gz ANHOXYNXGBEFSM-LLVKDONJSA-N 1 3 304.398 0.299 20 0 DCADHO CCC(=O)N[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001367674292 958332738 /nfs/dbraw/zinc/33/27/38/958332738.db2.gz IHRLVGHRRVJYCM-KOLCDFICSA-N 1 3 312.439 0.961 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001430146785 1013171893 /nfs/dbraw/zinc/17/18/93/1013171893.db2.gz OWUGDYWJBFPBPP-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001430146785 1013171899 /nfs/dbraw/zinc/17/18/99/1013171899.db2.gz OWUGDYWJBFPBPP-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001367703838 958407326 /nfs/dbraw/zinc/40/73/26/958407326.db2.gz TYBNVLOOLZXVAB-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001376774478 958803248 /nfs/dbraw/zinc/80/32/48/958803248.db2.gz SOYARANRFQDQQF-UHFFFAOYSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376856002 958993782 /nfs/dbraw/zinc/99/37/82/958993782.db2.gz PDEDXOTYBLBODV-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N[C@H](C)C1CC1 ZINC001491643052 959002132 /nfs/dbraw/zinc/00/21/32/959002132.db2.gz WYRYPJITAHBAJI-CHWSQXEVSA-N 1 3 322.453 0.091 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001376989272 959263578 /nfs/dbraw/zinc/26/35/78/959263578.db2.gz WZNZLMYRAPINAB-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO COc1cncc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCN2C)n1 ZINC001377009817 959308194 /nfs/dbraw/zinc/30/81/94/959308194.db2.gz GPFXUEHFALRTRQ-GXTWGEPZSA-N 1 3 321.425 0.564 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368155382 959348429 /nfs/dbraw/zinc/34/84/29/959348429.db2.gz DJMAKGYBTAZKDI-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001491895501 959362877 /nfs/dbraw/zinc/36/28/77/959362877.db2.gz VAEOBCRPXLTBTQ-CABCVRRESA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001491901504 959368206 /nfs/dbraw/zinc/36/82/06/959368206.db2.gz YTUBCJXKQHGDKG-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001491901504 959368217 /nfs/dbraw/zinc/36/82/17/959368217.db2.gz YTUBCJXKQHGDKG-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2cnns2)C1 ZINC001368175424 959409346 /nfs/dbraw/zinc/40/93/46/959409346.db2.gz WAJWMIOREVAXKQ-HIFRSBDPSA-N 1 3 323.466 0.961 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001377264775 959823266 /nfs/dbraw/zinc/82/32/66/959823266.db2.gz HNURYQCYTAIJLD-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001377280674 959849488 /nfs/dbraw/zinc/84/94/88/959849488.db2.gz IIELTSRJBOMDMI-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001377280674 959849495 /nfs/dbraw/zinc/84/94/95/959849495.db2.gz IIELTSRJBOMDMI-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001377280640 959850376 /nfs/dbraw/zinc/85/03/76/959850376.db2.gz IHROIOYGDISQJT-KGLIPLIRSA-N 1 3 322.453 0.043 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001368455579 959887848 /nfs/dbraw/zinc/88/78/48/959887848.db2.gz ODHAXAQMJAYPSE-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)NC)CCC1 ZINC001368473439 959917816 /nfs/dbraw/zinc/91/78/16/959917816.db2.gz IVVALXAZWSXWCH-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)NC)CCC1 ZINC001368473439 959917828 /nfs/dbraw/zinc/91/78/28/959917828.db2.gz IVVALXAZWSXWCH-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CS[C@H]1CN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)C[C@H]1[NH+](C)C ZINC001362773801 959968455 /nfs/dbraw/zinc/96/84/55/959968455.db2.gz HOFSFJNJSNPXIY-SYQHCUMBSA-N 1 3 315.483 0.336 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001368535039 959991416 /nfs/dbraw/zinc/99/14/16/959991416.db2.gz LLNGMPRGHCOQKU-GASCZTMLSA-N 1 3 307.442 0.708 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC001368664260 960137520 /nfs/dbraw/zinc/13/75/20/960137520.db2.gz HEOZXFQSETWEHT-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC ZINC001368779367 960256515 /nfs/dbraw/zinc/25/65/15/960256515.db2.gz ZDVDEIQHEYEMQA-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CN(CC(=O)NC1(CO)CC[NH+](CC2CC2)CC1)C1CCC1 ZINC001377562322 960286507 /nfs/dbraw/zinc/28/65/07/960286507.db2.gz LAYSNYAARDBAJJ-UHFFFAOYSA-N 1 3 309.454 0.824 20 0 DCADHO CC[C@@H]([NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001368808866 960300887 /nfs/dbraw/zinc/30/08/87/960300887.db2.gz OJLNKDCGYNGIIB-WXRRBKDZSA-N 1 3 310.442 0.219 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001377590342 960328929 /nfs/dbraw/zinc/32/89/29/960328929.db2.gz NBJMUQBICJYSQB-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001377602544 960345491 /nfs/dbraw/zinc/34/54/91/960345491.db2.gz QYSDTEFEJOLNIJ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378377265 960669627 /nfs/dbraw/zinc/66/96/27/960669627.db2.gz YQSROAUPDNXODK-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCCCC1 ZINC001378413655 960723360 /nfs/dbraw/zinc/72/33/60/960723360.db2.gz AFDIVBFAMBRSEF-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001377834052 960765717 /nfs/dbraw/zinc/76/57/17/960765717.db2.gz APURIWFBUIMVIM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001377840911 960784708 /nfs/dbraw/zinc/78/47/08/960784708.db2.gz NXBWGSFUBNQSBC-GXTWGEPZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001377845354 960793914 /nfs/dbraw/zinc/79/39/14/960793914.db2.gz ZTTFEYOCZSRSGY-WDEREUQCSA-N 1 3 308.430 0.438 20 0 DCADHO COC(=O)CNC(=O)CCN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001363311308 960863698 /nfs/dbraw/zinc/86/36/98/960863698.db2.gz KHBHPSQKJDGRBT-CALCHBBNSA-N 1 3 323.437 0.474 20 0 DCADHO COC(=O)CNC(=O)CCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001363311308 960863721 /nfs/dbraw/zinc/86/37/21/960863721.db2.gz KHBHPSQKJDGRBT-CALCHBBNSA-N 1 3 323.437 0.474 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001378613457 961128821 /nfs/dbraw/zinc/12/88/21/961128821.db2.gz MKQFRZNDIKHXOM-JSGCOSHPSA-N 1 3 310.446 0.243 20 0 DCADHO CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001447068306 1013234376 /nfs/dbraw/zinc/23/43/76/1013234376.db2.gz VSPYGZDTXSEECT-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1cnn(C)c1)[NH+](C)C ZINC001378814100 961532173 /nfs/dbraw/zinc/53/21/73/961532173.db2.gz UNLSZPOQKXZHLZ-UKRRQHHQSA-N 1 3 309.458 0.943 20 0 DCADHO Cc1nc([C@@H](C)N[C@H](CNC(=O)CC[NH+](C)C)C(C)C)n[nH]1 ZINC001378992696 961825330 /nfs/dbraw/zinc/82/53/30/961825330.db2.gz RESVREMRASGHKF-DGCLKSJQSA-N 1 3 310.446 0.856 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](N[C@H](C)C(N)=O)C(C)(C)C1 ZINC001379731582 961885909 /nfs/dbraw/zinc/88/59/09/961885909.db2.gz NNCIKCKEQCXGFU-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](N[C@H](C)C(N)=O)C(C)(C)C1 ZINC001379731582 961885925 /nfs/dbraw/zinc/88/59/25/961885925.db2.gz NNCIKCKEQCXGFU-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001447203312 1013309942 /nfs/dbraw/zinc/30/99/42/1013309942.db2.gz YVPWDLIGRLBLJK-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001447203312 1013309944 /nfs/dbraw/zinc/30/99/44/1013309944.db2.gz YVPWDLIGRLBLJK-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001379324338 962624664 /nfs/dbraw/zinc/62/46/64/962624664.db2.gz KQJBGTFKZMIIOM-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO O=C(NC[C@H](CO)NCc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC001379401198 962836429 /nfs/dbraw/zinc/83/64/29/962836429.db2.gz VNDZXSQCFAALSA-SJORKVTESA-N 1 3 317.433 0.595 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1)[NH+](C)C ZINC001379450213 962950910 /nfs/dbraw/zinc/95/09/10/962950910.db2.gz OCNCKZSNJAFNHU-DOMZBBRYSA-N 1 3 312.458 0.288 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001380538751 963323422 /nfs/dbraw/zinc/32/34/22/963323422.db2.gz SOFZTSULMNOYBB-GDBMZVCRSA-N 1 3 315.433 0.773 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001380538751 963323435 /nfs/dbraw/zinc/32/34/35/963323435.db2.gz SOFZTSULMNOYBB-GDBMZVCRSA-N 1 3 315.433 0.773 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CC2CC2)C1)CC(C)(C)C ZINC001380555649 963356210 /nfs/dbraw/zinc/35/62/10/963356210.db2.gz GSDCIPWVGIQRLZ-KRWDZBQOSA-N 1 3 311.470 0.927 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1)CC(C)(C)C ZINC001380555649 963356216 /nfs/dbraw/zinc/35/62/16/963356216.db2.gz GSDCIPWVGIQRLZ-KRWDZBQOSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N(C)C)C2 ZINC001380661392 963471235 /nfs/dbraw/zinc/47/12/35/963471235.db2.gz SEDUYSBYIAYAMF-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N(C)C)C2 ZINC001380661392 963471241 /nfs/dbraw/zinc/47/12/41/963471241.db2.gz SEDUYSBYIAYAMF-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O)[NH+](C)C ZINC001380692170 963493700 /nfs/dbraw/zinc/49/37/00/963493700.db2.gz OQZVAHXKRSMGGW-HLPPOEQASA-N 1 3 324.469 0.417 20 0 DCADHO CC(C)N(C)CC(=O)NCCN1CCC([NH2+]CC2CC2)CC1 ZINC001380714972 963517033 /nfs/dbraw/zinc/51/70/33/963517033.db2.gz SQQSMCZFVITLTB-UHFFFAOYSA-N 1 3 310.486 0.907 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC2CC2)CCC1)N(C)C ZINC001380899063 963665928 /nfs/dbraw/zinc/66/59/28/963665928.db2.gz XAJBMZOMXKCDJY-CYBMUJFWSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCn2cncn2)CC1)N(C)C ZINC001380925923 963686716 /nfs/dbraw/zinc/68/67/16/963686716.db2.gz APPPSHWEVQXGJE-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1)N(C)C ZINC001380925923 963686718 /nfs/dbraw/zinc/68/67/18/963686718.db2.gz APPPSHWEVQXGJE-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001375274292 964197086 /nfs/dbraw/zinc/19/70/86/964197086.db2.gz VGCQRZBMVCWYDY-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001375274292 964197090 /nfs/dbraw/zinc/19/70/90/964197090.db2.gz VGCQRZBMVCWYDY-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCc2cnn(C)c2)CC1)C1CCC1 ZINC001375428727 964391791 /nfs/dbraw/zinc/39/17/91/964391791.db2.gz FRPRGOOKMPLUAZ-UHFFFAOYSA-N 1 3 319.453 0.685 20 0 DCADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001369176668 964492248 /nfs/dbraw/zinc/49/22/48/964492248.db2.gz PVHMUPNAAXIDFP-MGPQQGTHSA-N 1 3 305.426 0.974 20 0 DCADHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001375532399 964520516 /nfs/dbraw/zinc/52/05/16/964520516.db2.gz XLWHRZCSGBTQPZ-JOCQHMNTSA-N 1 3 310.442 0.221 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001375559539 964549868 /nfs/dbraw/zinc/54/98/68/964549868.db2.gz IKTGOXZUEBIGIJ-HDJSIYSDSA-N 1 3 322.457 0.623 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001369269535 964629730 /nfs/dbraw/zinc/62/97/30/964629730.db2.gz YLXKRAQKCZETTR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001373799550 964646223 /nfs/dbraw/zinc/64/62/23/964646223.db2.gz VVHFQWUBIJWZNA-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001375766584 964813735 /nfs/dbraw/zinc/81/37/35/964813735.db2.gz KQHDXJDBMURDNI-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)C[C@H]1C ZINC001369402955 964907177 /nfs/dbraw/zinc/90/71/77/964907177.db2.gz STOJMDCMZKDPCS-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001369429753 964963849 /nfs/dbraw/zinc/96/38/49/964963849.db2.gz YRZWLIWFISJAST-STQMWFEESA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001369457754 965010631 /nfs/dbraw/zinc/01/06/31/965010631.db2.gz NOUMYCUXGSTJJH-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001369457754 965010643 /nfs/dbraw/zinc/01/06/43/965010643.db2.gz NOUMYCUXGSTJJH-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCCC1 ZINC001374180148 965100848 /nfs/dbraw/zinc/10/08/48/965100848.db2.gz RFJFQYLZHJNCEQ-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](F)CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515611 965124001 /nfs/dbraw/zinc/12/40/01/965124001.db2.gz YKZCLBWDCYQYTC-KGLIPLIRSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@@H](F)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515611 965124005 /nfs/dbraw/zinc/12/40/05/965124005.db2.gz YKZCLBWDCYQYTC-KGLIPLIRSA-N 1 3 317.449 0.970 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001374225955 965158504 /nfs/dbraw/zinc/15/85/04/965158504.db2.gz OVVCEBPTYYHKHS-BXUZGUMPSA-N 1 3 320.441 0.391 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)[NH+](C)C ZINC001369553745 965166959 /nfs/dbraw/zinc/16/69/59/965166959.db2.gz LYIDSNZVAUDMCC-YPMHNXCESA-N 1 3 300.447 0.178 20 0 DCADHO C[C@H](O)CCCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001376135153 965260245 /nfs/dbraw/zinc/26/02/45/965260245.db2.gz PPVMDFSYXQLWNS-LSDHHAIUSA-N 1 3 309.454 0.966 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCCC1)C1CCC1 ZINC001374364152 965313991 /nfs/dbraw/zinc/31/39/91/965313991.db2.gz KWILDVGPACMQKL-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001374400046 965341803 /nfs/dbraw/zinc/34/18/03/965341803.db2.gz XCSJKBISSXPUNV-CHWSQXEVSA-N 1 3 321.425 0.305 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001376260871 965449918 /nfs/dbraw/zinc/44/99/18/965449918.db2.gz YATILYWDGAXYFK-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001376296972 965491398 /nfs/dbraw/zinc/49/13/98/965491398.db2.gz PZLQDRVEANTGSU-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376296972 965491402 /nfs/dbraw/zinc/49/14/02/965491402.db2.gz PZLQDRVEANTGSU-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001376413394 965630089 /nfs/dbraw/zinc/63/00/89/965630089.db2.gz WPJWMYZRTFUQRS-XUXIUFHCSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001376567771 965839011 /nfs/dbraw/zinc/83/90/11/965839011.db2.gz IXQRYQFQMUEGKD-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC(C)(C)C)C(=O)CC[NH+](C)C ZINC001374747517 965856864 /nfs/dbraw/zinc/85/68/64/965856864.db2.gz AZJWRACUMAGGEX-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374756482 965869712 /nfs/dbraw/zinc/86/97/12/965869712.db2.gz NSHYHHJRDDAECW-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374756482 965869723 /nfs/dbraw/zinc/86/97/23/965869723.db2.gz NSHYHHJRDDAECW-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374777494 965902783 /nfs/dbraw/zinc/90/27/83/965902783.db2.gz UNAPSJBTKUWIPD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001376672876 965963481 /nfs/dbraw/zinc/96/34/81/965963481.db2.gz FAGRJAFLAZXLSK-RUXDESIVSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@H](C)C(N)=O)C1 ZINC001370311438 965996728 /nfs/dbraw/zinc/99/67/28/965996728.db2.gz HBJINFFAFWTWHR-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H](C)C(N)=O)C1 ZINC001370311438 965996738 /nfs/dbraw/zinc/99/67/38/965996738.db2.gz HBJINFFAFWTWHR-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001370512887 966200614 /nfs/dbraw/zinc/20/06/14/966200614.db2.gz CHPOAJIRYWDONA-RAIGVLPGSA-N 1 3 308.430 0.753 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001370558820 966240610 /nfs/dbraw/zinc/24/06/10/966240610.db2.gz BQDAOQMNZVEVJC-KKUMJFAQSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)CCn1cncn1)[NH+](C)C ZINC001375094029 966345008 /nfs/dbraw/zinc/34/50/08/966345008.db2.gz JDFJRKUIROJREV-UONOGXRCSA-N 1 3 310.446 0.301 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)C1CC[NH+](C)CC1 ZINC001375096497 966349628 /nfs/dbraw/zinc/34/96/28/966349628.db2.gz GEBJXXMELAJARR-AWEZNQCLSA-N 1 3 307.442 0.661 20 0 DCADHO Cn1nccc1CCN1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001370891339 966566673 /nfs/dbraw/zinc/56/66/73/966566673.db2.gz ZQLKGWPDVLDIPJ-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001371180186 966787337 /nfs/dbraw/zinc/78/73/37/966787337.db2.gz RJGZRWLUBFVYPX-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001381966469 966824719 /nfs/dbraw/zinc/82/47/19/966824719.db2.gz IVCXWIPEUGILRV-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001382037172 966881207 /nfs/dbraw/zinc/88/12/07/966881207.db2.gz WHBLDVLAAVKVJA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001382037172 966881213 /nfs/dbraw/zinc/88/12/13/966881213.db2.gz WHBLDVLAAVKVJA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001371354895 966924891 /nfs/dbraw/zinc/92/48/91/966924891.db2.gz WBHMNGSJYIHVHW-GXTWGEPZSA-N 1 3 300.447 0.192 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001382113743 966951292 /nfs/dbraw/zinc/95/12/92/966951292.db2.gz BQPVYHDTYIZPHL-NWDGAFQWSA-N 1 3 300.447 0.275 20 0 DCADHO Cc1nc([C@@H](C)N[C@H](C)CN(C)C(=O)CCC[NH+](C)C)n[nH]1 ZINC001382128359 966964679 /nfs/dbraw/zinc/96/46/79/966964679.db2.gz SRPQFQRPRHCLQF-VXGBXAGGSA-N 1 3 310.446 0.952 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371428810 966984826 /nfs/dbraw/zinc/98/48/26/966984826.db2.gz NILOOUXFAYRACD-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001371435070 966988283 /nfs/dbraw/zinc/98/82/83/966988283.db2.gz CMPOGTSSVSKWBM-RRFJBIMHSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CCOCC1)N(C)C ZINC001382215317 967081564 /nfs/dbraw/zinc/08/15/64/967081564.db2.gz TZTISDFRQZJYIO-CABCVRRESA-N 1 3 315.458 0.066 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001371538048 967094738 /nfs/dbraw/zinc/09/47/38/967094738.db2.gz RIIBRPOOEPOSCN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001371538048 967094749 /nfs/dbraw/zinc/09/47/49/967094749.db2.gz RIIBRPOOEPOSCN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001371564228 967122512 /nfs/dbraw/zinc/12/25/12/967122512.db2.gz BZLXCDJWXCHBEK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001371585302 967145719 /nfs/dbraw/zinc/14/57/19/967145719.db2.gz QQLGKOCQACDHOR-BBRMVZONSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)CCC[NH+](C)C ZINC001371635968 967189732 /nfs/dbraw/zinc/18/97/32/967189732.db2.gz OJKTUPFZMHVIJJ-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001382378169 967290933 /nfs/dbraw/zinc/29/09/33/967290933.db2.gz OPSHKHQSQGFHMK-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001382378169 967290937 /nfs/dbraw/zinc/29/09/37/967290937.db2.gz OPSHKHQSQGFHMK-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCF ZINC001382465597 967411156 /nfs/dbraw/zinc/41/11/56/967411156.db2.gz QSQXICBEPJAWPO-LSDHHAIUSA-N 1 3 317.449 0.970 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCF ZINC001382465597 967411162 /nfs/dbraw/zinc/41/11/62/967411162.db2.gz QSQXICBEPJAWPO-LSDHHAIUSA-N 1 3 317.449 0.970 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCF ZINC001382465596 967411815 /nfs/dbraw/zinc/41/18/15/967411815.db2.gz QSQXICBEPJAWPO-HUUCEWRRSA-N 1 3 317.449 0.970 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCF ZINC001382465596 967411821 /nfs/dbraw/zinc/41/18/21/967411821.db2.gz QSQXICBEPJAWPO-HUUCEWRRSA-N 1 3 317.449 0.970 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C ZINC001371941591 967471783 /nfs/dbraw/zinc/47/17/83/967471783.db2.gz ZLYVVTKFAMUDPK-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001382590640 967525273 /nfs/dbraw/zinc/52/52/73/967525273.db2.gz RFFMYKMLFXBPPF-WLYUNCDWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CCC[C@@H]1C ZINC001448087260 1013745500 /nfs/dbraw/zinc/74/55/00/1013745500.db2.gz FGFZFMVTXBDSBZ-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCn1cccn1 ZINC001372329182 967901720 /nfs/dbraw/zinc/90/17/20/967901720.db2.gz YHINPYSUTMOSCM-INIZCTEOSA-N 1 3 319.453 0.663 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001372631153 968196553 /nfs/dbraw/zinc/19/65/53/968196553.db2.gz GUKIIIROUGMUOV-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001372631153 968196559 /nfs/dbraw/zinc/19/65/59/968196559.db2.gz GUKIIIROUGMUOV-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001372689262 968258273 /nfs/dbraw/zinc/25/82/73/968258273.db2.gz ZCZKYWHXIHKTGJ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001372689262 968258280 /nfs/dbraw/zinc/25/82/80/968258280.db2.gz ZCZKYWHXIHKTGJ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373188988 968796821 /nfs/dbraw/zinc/79/68/21/968796821.db2.gz RFOUOSXECIICDH-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001373292693 968905960 /nfs/dbraw/zinc/90/59/60/968905960.db2.gz NDGFYNWWTSWAHY-KFWWJZLASA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001373292693 968905965 /nfs/dbraw/zinc/90/59/65/968905965.db2.gz NDGFYNWWTSWAHY-KFWWJZLASA-N 1 3 315.458 0.114 20 0 DCADHO C[C@@H](O)CCCN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373508716 969172976 /nfs/dbraw/zinc/17/29/76/969172976.db2.gz QJGZJZCTDBCIDT-CZUORRHYSA-N 1 3 309.454 0.537 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001448660816 1013986547 /nfs/dbraw/zinc/98/65/47/1013986547.db2.gz UPYFLJATNMVPRM-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001448660816 1013986550 /nfs/dbraw/zinc/98/65/50/1013986550.db2.gz UPYFLJATNMVPRM-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H](C)C(=O)N(C)C ZINC001448733429 1014015756 /nfs/dbraw/zinc/01/57/56/1014015756.db2.gz KIHQBEYMFXODPT-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CCN(C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001448777920 1014034465 /nfs/dbraw/zinc/03/44/65/1014034465.db2.gz FDDTYGLXWQLPBV-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001448777920 1014034470 /nfs/dbraw/zinc/03/44/70/1014034470.db2.gz FDDTYGLXWQLPBV-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448778393 1014035312 /nfs/dbraw/zinc/03/53/12/1014035312.db2.gz VWTHLQLNPKXKGL-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001448888278 1014084929 /nfs/dbraw/zinc/08/49/29/1014084929.db2.gz WTNOXCAOMFYVNJ-ZIAGYGMSSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001448888278 1014084930 /nfs/dbraw/zinc/08/49/30/1014084930.db2.gz WTNOXCAOMFYVNJ-ZIAGYGMSSA-N 1 3 312.458 0.099 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)C[C@@H]1C ZINC001449023210 1014139116 /nfs/dbraw/zinc/13/91/16/1014139116.db2.gz WOCNHPJOKNPJPQ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001549166426 1014157930 /nfs/dbraw/zinc/15/79/30/1014157930.db2.gz ZLHKSYNBDLQNTJ-CVEARBPZSA-N 1 3 307.438 0.528 20 0 DCADHO CCN1CCN(CCC(=O)NC2CC([NH+]3CCCC3)C2)CC1 ZINC001549931400 1014499860 /nfs/dbraw/zinc/49/98/60/1014499860.db2.gz ANNJQLUATLPNDA-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC001550095611 1014566540 /nfs/dbraw/zinc/56/65/40/1014566540.db2.gz KDLZBNPJZOCPMW-BFHYXJOUSA-N 1 3 306.414 0.241 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC001550095611 1014566547 /nfs/dbraw/zinc/56/65/47/1014566547.db2.gz KDLZBNPJZOCPMW-BFHYXJOUSA-N 1 3 306.414 0.241 20 0 DCADHO C[C@H](CC(=O)N1CC[C@@H](n2cc(CN)nn2)C1)[C@@H]1CCC[NH2+]C1 ZINC001550097204 1014568200 /nfs/dbraw/zinc/56/82/00/1014568200.db2.gz BYFDHDLBRLGGSQ-UMVBOHGHSA-N 1 3 320.441 0.536 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC001550230126 1014633011 /nfs/dbraw/zinc/63/30/11/1014633011.db2.gz XWSPKNRWHPIIJT-UHFFFAOYSA-N 1 3 305.426 0.969 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN([C@H]3CCN(C4CCOCC4)C3=O)C[C@H]2C1 ZINC001550542320 1014755160 /nfs/dbraw/zinc/75/51/60/1014755160.db2.gz PHEHQIDIOAKLNF-FMKPAKJESA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@@H]2CN([C@H]3CCN(C4CCOCC4)C3=O)C[C@H]2C1 ZINC001550542320 1014755167 /nfs/dbraw/zinc/75/51/67/1014755167.db2.gz PHEHQIDIOAKLNF-FMKPAKJESA-N 1 3 307.438 0.650 20 0 DCADHO C[NH+](C)[C@@H]1CN(c2cc(N)ncc2Cl)C[C@H]1n1ccnn1 ZINC001550633588 1014787271 /nfs/dbraw/zinc/78/72/71/1014787271.db2.gz FXOBBQLDUQRXJU-VXGBXAGGSA-N 1 3 307.789 0.900 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449927373 1014793542 /nfs/dbraw/zinc/79/35/42/1014793542.db2.gz TYWCKGOJPWBQEW-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449927373 1014793557 /nfs/dbraw/zinc/79/35/57/1014793557.db2.gz TYWCKGOJPWBQEW-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001550796644 1014866716 /nfs/dbraw/zinc/86/67/16/1014866716.db2.gz JEBHBJOOWCYIGV-QGZVFWFLSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001550796644 1014866731 /nfs/dbraw/zinc/86/67/31/1014866731.db2.gz JEBHBJOOWCYIGV-QGZVFWFLSA-N 1 3 322.497 0.813 20 0 DCADHO CCc1nocc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913893 1014910220 /nfs/dbraw/zinc/91/02/20/1014910220.db2.gz QKFLHTXUGJTMHS-GDBMZVCRSA-N 1 3 306.410 0.973 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC001551099893 1014968655 /nfs/dbraw/zinc/96/86/55/1014968655.db2.gz FRHKGESGPHXWOY-LVQVYYBASA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC001551099893 1014968665 /nfs/dbraw/zinc/96/86/65/1014968665.db2.gz FRHKGESGPHXWOY-LVQVYYBASA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001383040017 984638773 /nfs/dbraw/zinc/63/87/73/984638773.db2.gz BMIWDXRLTUZNGB-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001450382814 1015103973 /nfs/dbraw/zinc/10/39/73/1015103973.db2.gz PHLVFQDJMWSXDI-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001384397471 985549959 /nfs/dbraw/zinc/54/99/59/985549959.db2.gz DPPCLRHSIGHBSX-UONOGXRCSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001384532927 985644999 /nfs/dbraw/zinc/64/49/99/985644999.db2.gz HCKAYTSLLSFJLR-BYNSBNAKSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001384532927 985645006 /nfs/dbraw/zinc/64/50/06/985645006.db2.gz HCKAYTSLLSFJLR-BYNSBNAKSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001384836447 985878664 /nfs/dbraw/zinc/87/86/64/985878664.db2.gz ISONDAJPKYKZDF-RBSFLKMASA-N 1 3 324.469 0.338 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001385329775 986257578 /nfs/dbraw/zinc/25/75/78/986257578.db2.gz XEZXIQSYSFHAGQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001385329775 986257585 /nfs/dbraw/zinc/25/75/85/986257585.db2.gz XEZXIQSYSFHAGQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001385506242 986394760 /nfs/dbraw/zinc/39/47/60/986394760.db2.gz AGKPMQAQXDVIJF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001386278641 987028614 /nfs/dbraw/zinc/02/86/14/987028614.db2.gz TZRQBBZKKKMPQR-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001386278641 987028626 /nfs/dbraw/zinc/02/86/26/987028626.db2.gz TZRQBBZKKKMPQR-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001386586218 987230675 /nfs/dbraw/zinc/23/06/75/987230675.db2.gz BCVIEDVIXJERLV-ZDUSSCGKSA-N 1 3 321.425 0.177 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001450679986 1015294573 /nfs/dbraw/zinc/29/45/73/1015294573.db2.gz SORSHDAOOVKNPY-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001450679986 1015294585 /nfs/dbraw/zinc/29/45/85/1015294585.db2.gz SORSHDAOOVKNPY-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001552186345 1015310583 /nfs/dbraw/zinc/31/05/83/1015310583.db2.gz JOGFYUCSAZABTR-PBHICJAKSA-N 1 3 324.469 0.868 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1)N(C)C ZINC001387757288 988123231 /nfs/dbraw/zinc/12/32/31/988123231.db2.gz NXCFERJVMWZJGE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001387886636 988253669 /nfs/dbraw/zinc/25/36/69/988253669.db2.gz FSSAXTOYHMUSLN-CABCVRRESA-N 1 3 324.469 0.241 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001388687790 988512904 /nfs/dbraw/zinc/51/29/04/988512904.db2.gz SZEHEUTZNTXUKP-OKILXGFUSA-N 1 3 305.426 0.721 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001388697559 988521786 /nfs/dbraw/zinc/52/17/86/988521786.db2.gz JOFMINXFSAITJW-OKILXGFUSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001388717840 988536257 /nfs/dbraw/zinc/53/62/57/988536257.db2.gz BZXZGFZLNXQPOD-TUVASFSCSA-N 1 3 324.469 0.288 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001388788493 988593180 /nfs/dbraw/zinc/59/31/80/988593180.db2.gz DFQSOAOPSQVULR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCN1 ZINC001552436782 1015434641 /nfs/dbraw/zinc/43/46/41/1015434641.db2.gz HHKZNGSFECISLK-KBPBESRZSA-N 1 3 320.441 0.663 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001389531214 989368532 /nfs/dbraw/zinc/36/85/32/989368532.db2.gz YOEFESBJXQTACP-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001389801301 989593192 /nfs/dbraw/zinc/59/31/92/989593192.db2.gz YJYOALPWDUZFPR-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552690206 1015492164 /nfs/dbraw/zinc/49/21/64/1015492164.db2.gz ARTCQIVCWSSYJB-UMVBOHGHSA-N 1 3 320.441 0.935 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001389829196 989617640 /nfs/dbraw/zinc/61/76/40/989617640.db2.gz VFYSMGVRFWCEAO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)C1 ZINC001552693489 1015494460 /nfs/dbraw/zinc/49/44/60/1015494460.db2.gz AYVTUVUVPQHKEW-IPYPFGDCSA-N 1 3 320.441 0.792 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001389905752 989675185 /nfs/dbraw/zinc/67/51/85/989675185.db2.gz KADLMDSRYVGFIK-HDJSIYSDSA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COC)C1)N(C)C ZINC001390072574 989795096 /nfs/dbraw/zinc/79/50/96/989795096.db2.gz RAXOMBUZBDCOPL-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1)N(C)C ZINC001390072574 989795103 /nfs/dbraw/zinc/79/51/03/989795103.db2.gz RAXOMBUZBDCOPL-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001390072432 989795407 /nfs/dbraw/zinc/79/54/07/989795407.db2.gz VIGPGSJBEZENLA-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001390072432 989795409 /nfs/dbraw/zinc/79/54/09/989795409.db2.gz VIGPGSJBEZENLA-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccnn2C)CC[N@@H+]1C ZINC001390367157 990031528 /nfs/dbraw/zinc/03/15/28/990031528.db2.gz LNIJQTPZHMEZBM-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccnn2C)CC[N@H+]1C ZINC001390367157 990031536 /nfs/dbraw/zinc/03/15/36/990031536.db2.gz LNIJQTPZHMEZBM-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N2CCC2)CC[N@@H+]1C ZINC001390376823 990038644 /nfs/dbraw/zinc/03/86/44/990038644.db2.gz SFTBVXWFHRRFDD-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N2CCC2)CC[N@H+]1C ZINC001390376823 990038650 /nfs/dbraw/zinc/03/86/50/990038650.db2.gz SFTBVXWFHRRFDD-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C1CC1 ZINC001390464350 990125428 /nfs/dbraw/zinc/12/54/28/990125428.db2.gz DNKSPYLOEBQSAS-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001451071558 1015571998 /nfs/dbraw/zinc/57/19/98/1015571998.db2.gz GLZYMFXTYGEEJQ-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001451071558 1015572006 /nfs/dbraw/zinc/57/20/06/1015572006.db2.gz GLZYMFXTYGEEJQ-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552956665 1015575694 /nfs/dbraw/zinc/57/56/94/1015575694.db2.gz UFKULUVJRZJCRG-VYDXJSESSA-N 1 3 322.453 0.824 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001391200527 990663309 /nfs/dbraw/zinc/66/33/09/990663309.db2.gz KIADBUHFXYBZSH-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001391200527 990663311 /nfs/dbraw/zinc/66/33/11/990663311.db2.gz KIADBUHFXYBZSH-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001391221244 990681042 /nfs/dbraw/zinc/68/10/42/990681042.db2.gz IXWYXOYNLZGIOI-LBPRGKRZSA-N 1 3 310.442 0.030 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001391365424 990783151 /nfs/dbraw/zinc/78/31/51/990783151.db2.gz OKFSOHGJPCSUOD-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001391365424 990783154 /nfs/dbraw/zinc/78/31/54/990783154.db2.gz OKFSOHGJPCSUOD-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C[C@@H](C)O)C1)[NH+]1CCCCC1 ZINC001391521865 990911598 /nfs/dbraw/zinc/91/15/98/990911598.db2.gz FTLKKZUPLZRRRM-ZBFHGGJFSA-N 1 3 311.470 0.926 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001391861993 991234621 /nfs/dbraw/zinc/23/46/21/991234621.db2.gz PIHBFWIMJHSQOL-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001391861993 991234629 /nfs/dbraw/zinc/23/46/29/991234629.db2.gz PIHBFWIMJHSQOL-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392100788 991493279 /nfs/dbraw/zinc/49/32/79/991493279.db2.gz NTHJMKPQQZVRJQ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392100788 991493283 /nfs/dbraw/zinc/49/32/83/991493283.db2.gz NTHJMKPQQZVRJQ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392122052 991517429 /nfs/dbraw/zinc/51/74/29/991517429.db2.gz LUIBLNNTZFSVEE-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001392138635 991539379 /nfs/dbraw/zinc/53/93/79/991539379.db2.gz OQCUQJAQDBLEAB-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(=O)N(C)C ZINC001392197261 991599509 /nfs/dbraw/zinc/59/95/09/991599509.db2.gz OGWMDZOQAJIXSO-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001392537696 992063644 /nfs/dbraw/zinc/06/36/44/992063644.db2.gz OUYZQECBLNNQMK-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001392596725 992138947 /nfs/dbraw/zinc/13/89/47/992138947.db2.gz VTTGZRSOVLMDST-RYUDHWBXSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN[C@@H]2CCNC2=O)CC1 ZINC001392603260 992149022 /nfs/dbraw/zinc/14/90/22/992149022.db2.gz SGSVOJMNVOFTNG-GXTWGEPZSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)N1CCCC1)C1CC1)N(C)C ZINC001392783616 992391384 /nfs/dbraw/zinc/39/13/84/992391384.db2.gz KSVMDHQGAFMSRZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CCCCC1 ZINC001393050164 992651776 /nfs/dbraw/zinc/65/17/76/992651776.db2.gz OMBPXMDLRMCOIU-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001393545316 993070573 /nfs/dbraw/zinc/07/05/73/993070573.db2.gz LRHRZDSWIFYOEO-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H](F)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001393775435 993243924 /nfs/dbraw/zinc/24/39/24/993243924.db2.gz DSYAPQATLOOTEL-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO CCCN(C)CC(=O)NCC[N@H+](C)C[C@H]1CCNC(=O)CC1 ZINC001492823854 993249593 /nfs/dbraw/zinc/24/95/93/993249593.db2.gz ITSROACDJVLOMH-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCCN(C)CC(=O)NCC[N@@H+](C)C[C@H]1CCNC(=O)CC1 ZINC001492823854 993249598 /nfs/dbraw/zinc/24/95/98/993249598.db2.gz ITSROACDJVLOMH-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001393833391 993286149 /nfs/dbraw/zinc/28/61/49/993286149.db2.gz ZVIBFMOATDZRGF-QWHCGFSZSA-N 1 3 320.437 0.720 20 0 DCADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001393899999 993331809 /nfs/dbraw/zinc/33/18/09/993331809.db2.gz RJEMAAPELAGBRJ-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO CCCC[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001394203649 993537814 /nfs/dbraw/zinc/53/78/14/993537814.db2.gz MPEKRDVWZQTOPT-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394203649 993537818 /nfs/dbraw/zinc/53/78/18/993537818.db2.gz MPEKRDVWZQTOPT-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]([NH2+]CCF)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001394333855 993628960 /nfs/dbraw/zinc/62/89/60/993628960.db2.gz PWLCHLNDMRUONZ-OLZOCXBDSA-N 1 3 301.406 0.646 20 0 DCADHO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1CCCCCC1 ZINC001394339676 993633522 /nfs/dbraw/zinc/63/35/22/993633522.db2.gz WAMJGAIBBUPMIR-LUKYLMHMSA-N 1 3 323.481 0.927 20 0 DCADHO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N1CCCCCC1 ZINC001394339676 993633529 /nfs/dbraw/zinc/63/35/29/993633529.db2.gz WAMJGAIBBUPMIR-LUKYLMHMSA-N 1 3 323.481 0.927 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001394534388 993807885 /nfs/dbraw/zinc/80/78/85/993807885.db2.gz AMSTVZXWACLCFK-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001394559480 993828298 /nfs/dbraw/zinc/82/82/98/993828298.db2.gz MQCBSNYRCLFEIL-SWLSCSKDSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001394559480 993828303 /nfs/dbraw/zinc/82/83/03/993828303.db2.gz MQCBSNYRCLFEIL-SWLSCSKDSA-N 1 3 305.426 0.673 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@H]1C ZINC001394669022 993998828 /nfs/dbraw/zinc/99/88/28/993998828.db2.gz DQEBRBPBGOATSK-CABCVRRESA-N 1 3 307.442 0.802 20 0 DCADHO CN(C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001394850149 994212017 /nfs/dbraw/zinc/21/20/17/994212017.db2.gz BTYHYQFBEKHEGC-PESDSKBTSA-N 1 3 322.453 0.280 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001395302222 994576372 /nfs/dbraw/zinc/57/63/72/994576372.db2.gz FHFTZGFKRQCWRG-OCCSQVGLSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001395311565 994583083 /nfs/dbraw/zinc/58/30/83/994583083.db2.gz QYTFOGOYDRHZMW-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001395311565 994583091 /nfs/dbraw/zinc/58/30/91/994583091.db2.gz QYTFOGOYDRHZMW-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001507011158 1015889614 /nfs/dbraw/zinc/88/96/14/1015889614.db2.gz MKTJAONVGQCHHW-AAEUAGOBSA-N 1 3 310.442 0.171 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC001400716486 994833929 /nfs/dbraw/zinc/83/39/29/994833929.db2.gz YQLJRWOGWRSCTI-OAHLLOKOSA-N 1 3 320.437 0.370 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001400901582 995049749 /nfs/dbraw/zinc/04/97/49/995049749.db2.gz UDWRUIXBBDIXMC-INIZCTEOSA-N 1 3 321.425 0.320 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001401089460 995166610 /nfs/dbraw/zinc/16/66/10/995166610.db2.gz XVSIIAMWOQSICE-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001396832972 995636268 /nfs/dbraw/zinc/63/62/68/995636268.db2.gz MFAJSWWTZAPQJC-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001396832972 995636271 /nfs/dbraw/zinc/63/62/71/995636271.db2.gz MFAJSWWTZAPQJC-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001396935932 995692496 /nfs/dbraw/zinc/69/24/96/995692496.db2.gz KBWWOJOAZPXLEQ-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001396935932 995692500 /nfs/dbraw/zinc/69/25/00/995692500.db2.gz KBWWOJOAZPXLEQ-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001397073068 995784145 /nfs/dbraw/zinc/78/41/45/995784145.db2.gz CNKNMVMDWDPNMD-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001397177920 995843831 /nfs/dbraw/zinc/84/38/31/995843831.db2.gz ZTZIAMLHCMLTHD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001397615881 996098755 /nfs/dbraw/zinc/09/87/55/996098755.db2.gz AUBOUKQRRDUORX-IJEWVQPXSA-N 1 3 324.469 0.289 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001397619239 996100948 /nfs/dbraw/zinc/10/09/48/996100948.db2.gz WNEZNSZCCSGFNA-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCNC(=O)C1(N(C)C)CCC1 ZINC001397939311 996268996 /nfs/dbraw/zinc/26/89/96/996268996.db2.gz MQZHOXOHWRFONO-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)C1(N(C)C)CCC1 ZINC001397939311 996269002 /nfs/dbraw/zinc/26/90/02/996269002.db2.gz MQZHOXOHWRFONO-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cncn2C)C2CC2)CC[N@@H+]1C ZINC001398405001 996503612 /nfs/dbraw/zinc/50/36/12/996503612.db2.gz JTDKNDLKEDQJRS-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cncn2C)C2CC2)CC[N@H+]1C ZINC001398405001 996503617 /nfs/dbraw/zinc/50/36/17/996503617.db2.gz JTDKNDLKEDQJRS-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1)N(C)C ZINC001398634038 996614812 /nfs/dbraw/zinc/61/48/12/996614812.db2.gz IITXKXIQOOJEOO-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1)N(C)C ZINC001398634038 996614814 /nfs/dbraw/zinc/61/48/14/996614814.db2.gz IITXKXIQOOJEOO-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1 ZINC001398830372 996706927 /nfs/dbraw/zinc/70/69/27/996706927.db2.gz JJXCSPWIIYDTCN-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1 ZINC001398830372 996706929 /nfs/dbraw/zinc/70/69/29/996706929.db2.gz JJXCSPWIIYDTCN-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CC[C@H](C(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001398837051 996709109 /nfs/dbraw/zinc/70/91/09/996709109.db2.gz HMTYIVDIVAMUSH-SSDMNJCBSA-N 1 3 322.457 0.672 20 0 DCADHO CC[C@H](CNC(=O)CN(CC)CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001398979428 996792042 /nfs/dbraw/zinc/79/20/42/996792042.db2.gz VRTUIJLQIARXAU-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)CN(CC)CC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001398979428 996792049 /nfs/dbraw/zinc/79/20/49/996792049.db2.gz VRTUIJLQIARXAU-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC(C)CC1 ZINC001399047352 996888983 /nfs/dbraw/zinc/88/89/83/996888983.db2.gz VYLFAMXZQSULLE-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCCC1 ZINC001399108782 996973963 /nfs/dbraw/zinc/97/39/63/996973963.db2.gz KGHGKGKIAOXTED-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCCC1 ZINC001399108782 996973973 /nfs/dbraw/zinc/97/39/73/996973973.db2.gz KGHGKGKIAOXTED-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001399115429 996985965 /nfs/dbraw/zinc/98/59/65/996985965.db2.gz WOFRLPSDJZIEAD-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001399115429 996985981 /nfs/dbraw/zinc/98/59/81/996985981.db2.gz WOFRLPSDJZIEAD-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001399227352 997098518 /nfs/dbraw/zinc/09/85/18/997098518.db2.gz YPRCHWIZRPRLTH-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC001502829078 1016092942 /nfs/dbraw/zinc/09/29/42/1016092942.db2.gz NPVWBZOJTXBVJP-KGLIPLIRSA-N 1 3 317.449 0.875 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC001502829078 1016092953 /nfs/dbraw/zinc/09/29/53/1016092953.db2.gz NPVWBZOJTXBVJP-KGLIPLIRSA-N 1 3 317.449 0.875 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001399263942 997136597 /nfs/dbraw/zinc/13/65/97/997136597.db2.gz PMEFYCGGRGSLAQ-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@H](CCNC(=O)CN3CCCC3)C2)cn1 ZINC001404517731 997194349 /nfs/dbraw/zinc/19/43/49/997194349.db2.gz PFPCUKSPNSYVEG-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@H](CCNC(=O)CN3CCCC3)C2)cn1 ZINC001404517731 997194356 /nfs/dbraw/zinc/19/43/56/997194356.db2.gz PFPCUKSPNSYVEG-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cnc(C)nc1 ZINC001405349769 998139668 /nfs/dbraw/zinc/13/96/68/998139668.db2.gz RRZJPMMJEYHPQE-GJZGRUSLSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cnc(C)nc1 ZINC001405349769 998139675 /nfs/dbraw/zinc/13/96/75/998139675.db2.gz RRZJPMMJEYHPQE-GJZGRUSLSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001405378623 998170027 /nfs/dbraw/zinc/17/00/27/998170027.db2.gz XSMKPZXLZVBLGM-UONOGXRCSA-N 1 3 322.457 0.590 20 0 DCADHO CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)CC[N@H+](C)CC)C1=O ZINC001405594670 998369901 /nfs/dbraw/zinc/36/99/01/998369901.db2.gz HOVIAZHIVOCMDK-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)CC[N@@H+](C)CC)C1=O ZINC001405594670 998369914 /nfs/dbraw/zinc/36/99/14/998369914.db2.gz HOVIAZHIVOCMDK-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1)N(C)C ZINC001405753729 998535776 /nfs/dbraw/zinc/53/57/76/998535776.db2.gz KHSAQVITVPYRJO-UONOGXRCSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C)C1CC1 ZINC001405800128 998573081 /nfs/dbraw/zinc/57/30/81/998573081.db2.gz UOIZEVIDQLBVSY-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401219685 1000282138 /nfs/dbraw/zinc/28/21/38/1000282138.db2.gz FDMOFNGLQPKVHB-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)C1=O ZINC001401234458 1000294662 /nfs/dbraw/zinc/29/46/62/1000294662.db2.gz APRZDSUIORFGLT-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001418732826 1000479733 /nfs/dbraw/zinc/47/97/33/1000479733.db2.gz LICHQJQBVMPCBD-QLFBSQMISA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001418732826 1000479738 /nfs/dbraw/zinc/47/97/38/1000479738.db2.gz LICHQJQBVMPCBD-QLFBSQMISA-N 1 3 324.469 0.561 20 0 DCADHO C[NH+](C)CCC(=O)NCc1nc(C[NH2+]CC2CC2)cc(=O)[n-]1 ZINC001418740520 1000484991 /nfs/dbraw/zinc/48/49/91/1000484991.db2.gz SXFSNMAVMSMOEF-UHFFFAOYSA-N 1 3 307.398 0.250 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418789312 1000520458 /nfs/dbraw/zinc/52/04/58/1000520458.db2.gz ILJQSUPUVBRMOL-UKRRQHHQSA-N 1 3 324.425 0.320 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401610376 1000545095 /nfs/dbraw/zinc/54/50/95/1000545095.db2.gz RIXVVMOEFIVTHD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401610376 1000545100 /nfs/dbraw/zinc/54/51/00/1000545100.db2.gz RIXVVMOEFIVTHD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001419193061 1000867660 /nfs/dbraw/zinc/86/76/60/1000867660.db2.gz DPJDMOUNMWWRCH-HIFRSBDPSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC1CC1)N(C)C ZINC001402050823 1000974723 /nfs/dbraw/zinc/97/47/23/1000974723.db2.gz HZYSHIBCAKYHPF-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](NCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001419326394 1000978821 /nfs/dbraw/zinc/97/88/21/1000978821.db2.gz OVHSVJSAHDPVQT-HIFRSBDPSA-N 1 3 310.442 0.077 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC(C)(C)C)C1 ZINC001402065401 1000988020 /nfs/dbraw/zinc/98/80/20/1000988020.db2.gz COASNRQBUNPOQC-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC(C)(C)C)C1 ZINC001402065401 1000988023 /nfs/dbraw/zinc/98/80/23/1000988023.db2.gz COASNRQBUNPOQC-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(C)(C)C)C1 ZINC001402065666 1000988502 /nfs/dbraw/zinc/98/85/02/1000988502.db2.gz COASNRQBUNPOQC-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(C)(C)C)C1 ZINC001402065666 1000988512 /nfs/dbraw/zinc/98/85/12/1000988512.db2.gz COASNRQBUNPOQC-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001419374518 1001007434 /nfs/dbraw/zinc/00/74/34/1001007434.db2.gz DMVUNHIWESGFGE-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCCCC1 ZINC001419424516 1001038793 /nfs/dbraw/zinc/03/87/93/1001038793.db2.gz XRQFRHOEKGNILA-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001402155864 1001070687 /nfs/dbraw/zinc/07/06/87/1001070687.db2.gz IJFUGKZGDFASES-YOEHRIQHSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1 ZINC001419474137 1001081049 /nfs/dbraw/zinc/08/10/49/1001081049.db2.gz HZCRBOYUGKGAOE-HZSPNIEDSA-N 1 3 322.453 0.328 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001402186776 1001093687 /nfs/dbraw/zinc/09/36/87/1001093687.db2.gz FBQSYZZHPDTCPE-CZUORRHYSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001419521904 1001112853 /nfs/dbraw/zinc/11/28/53/1001112853.db2.gz XOGOZTJGQHPTHW-HZSPNIEDSA-N 1 3 320.441 0.342 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001419563388 1001141757 /nfs/dbraw/zinc/14/17/57/1001141757.db2.gz LHUOHRZRTUHPSD-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001419612037 1001171927 /nfs/dbraw/zinc/17/19/27/1001171927.db2.gz QDFUTMHRARHKHP-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001419666428 1001209017 /nfs/dbraw/zinc/20/90/17/1001209017.db2.gz KZAMOUBXTAKOOG-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@H]([NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001419671820 1001211526 /nfs/dbraw/zinc/21/15/26/1001211526.db2.gz OTPMMUUZDBVNOO-PIMMBPRGSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)N(C)C ZINC001402318783 1001213126 /nfs/dbraw/zinc/21/31/26/1001213126.db2.gz TUBDIKWLMJOTGY-OCCSQVGLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001419675013 1001213181 /nfs/dbraw/zinc/21/31/81/1001213181.db2.gz NWBZTDQFPBSMTR-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001419675019 1001213985 /nfs/dbraw/zinc/21/39/85/1001213985.db2.gz NWBZTDQFPBSMTR-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001419746800 1001274813 /nfs/dbraw/zinc/27/48/13/1001274813.db2.gz NILJZNFWVPPSLM-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cncn1C ZINC001419757220 1001282863 /nfs/dbraw/zinc/28/28/63/1001282863.db2.gz OOPFQDILRLOQEK-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1cncn1C ZINC001419757220 1001282868 /nfs/dbraw/zinc/28/28/68/1001282868.db2.gz OOPFQDILRLOQEK-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC)C2 ZINC001402423614 1001295814 /nfs/dbraw/zinc/29/58/14/1001295814.db2.gz YYWYVUVHUHMMCR-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC)C2 ZINC001402423614 1001295820 /nfs/dbraw/zinc/29/58/20/1001295820.db2.gz YYWYVUVHUHMMCR-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(=O)N1CCC1 ZINC001419837914 1001345072 /nfs/dbraw/zinc/34/50/72/1001345072.db2.gz FYBVUBDVDOCJKH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001402507738 1001367621 /nfs/dbraw/zinc/36/76/21/1001367621.db2.gz PYOAHKHUDPUCFB-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001419879242 1001379943 /nfs/dbraw/zinc/37/99/43/1001379943.db2.gz OLBZNRSCKKYMFM-STQMWFEESA-N 1 3 320.437 0.591 20 0 DCADHO Cc1nc([C@H](C)N[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001419902919 1001396595 /nfs/dbraw/zinc/39/65/95/1001396595.db2.gz PMENDAHBIXRIEM-QWRGUYRKSA-N 1 3 306.414 0.364 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001402601902 1001434622 /nfs/dbraw/zinc/43/46/22/1001434622.db2.gz BBUBBOPGAYDKML-BETUJISGSA-N 1 3 306.410 0.779 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001402609518 1001438697 /nfs/dbraw/zinc/43/86/97/1001438697.db2.gz NGBCKGVVOPHHTJ-GASCZTMLSA-N 1 3 305.426 0.864 20 0 DCADHO CN1CCC[C@H](N2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001402624858 1001446741 /nfs/dbraw/zinc/44/67/41/1001446741.db2.gz OCIYJUYKWIMBCX-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001402777985 1001497632 /nfs/dbraw/zinc/49/76/32/1001497632.db2.gz NJSWPSJYZWZBKF-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505730043 1016501564 /nfs/dbraw/zinc/50/15/64/1016501564.db2.gz PXYZMSRXVMNWCG-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001402906587 1001569299 /nfs/dbraw/zinc/56/92/99/1001569299.db2.gz NYWFDGBUULLMAV-ZDUSSCGKSA-N 1 3 320.437 0.464 20 0 DCADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001402945660 1001595534 /nfs/dbraw/zinc/59/55/34/1001595534.db2.gz FGMHZGGYAMKALM-NRXISQOPSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCCC1 ZINC001403006932 1001629364 /nfs/dbraw/zinc/62/93/64/1001629364.db2.gz FARGRFIEQGJSNR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCCC1 ZINC001403006932 1001629366 /nfs/dbraw/zinc/62/93/66/1001629366.db2.gz FARGRFIEQGJSNR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NCC(=O)NC(C)(C)C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001403021962 1001637309 /nfs/dbraw/zinc/63/73/09/1001637309.db2.gz CIOPNQAKTHRTPA-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001403022235 1001637331 /nfs/dbraw/zinc/63/73/31/1001637331.db2.gz QVSIJHJTMZUAHR-STQMWFEESA-N 1 3 308.430 0.245 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403155412 1001698220 /nfs/dbraw/zinc/69/82/20/1001698220.db2.gz CRKUPZQZNOJJSM-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001403231564 1001751395 /nfs/dbraw/zinc/75/13/95/1001751395.db2.gz NXTKUPVBICGLIY-KFWWJZLASA-N 1 3 315.458 0.018 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001420070992 1001805334 /nfs/dbraw/zinc/80/53/34/1001805334.db2.gz BHYGMDULQXTRJY-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCNC(=O)C1CC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403328101 1001822250 /nfs/dbraw/zinc/82/22/50/1001822250.db2.gz KQMJPRXKBUFGJP-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001420242205 1002102943 /nfs/dbraw/zinc/10/29/43/1002102943.db2.gz ZCYRGDGVHNLWPU-ZDUSSCGKSA-N 1 3 320.437 0.674 20 0 DCADHO CN(CCNC(=O)CCC[NH+](C)C)C[C@H]1CCc2ncnn21 ZINC001420294532 1002180185 /nfs/dbraw/zinc/18/01/85/1002180185.db2.gz QIDMXXDHMLKXER-CYBMUJFWSA-N 1 3 308.430 0.155 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001403591816 1002180735 /nfs/dbraw/zinc/18/07/35/1002180735.db2.gz QCWCZCGUVOSXMW-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC(C)(C)C ZINC001403630545 1002235485 /nfs/dbraw/zinc/23/54/85/1002235485.db2.gz OANFZWPFMUNNFK-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC(C)(C)C ZINC001403630545 1002235492 /nfs/dbraw/zinc/23/54/92/1002235492.db2.gz OANFZWPFMUNNFK-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001403631780 1002237567 /nfs/dbraw/zinc/23/75/67/1002237567.db2.gz XYJSZCHASRCIOW-ZDUSSCGKSA-N 1 3 322.457 0.926 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001403631290 1002238434 /nfs/dbraw/zinc/23/84/34/1002238434.db2.gz OQJLDYXSHAHNAO-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001403631290 1002238440 /nfs/dbraw/zinc/23/84/40/1002238440.db2.gz OQJLDYXSHAHNAO-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001425153021 1002404358 /nfs/dbraw/zinc/40/43/58/1002404358.db2.gz OZLKIWQWNYRMLT-JSGCOSHPSA-N 1 3 323.441 0.549 20 0 DCADHO CN1CC[C@H](N[C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)C1=O ZINC001403804527 1002547152 /nfs/dbraw/zinc/54/71/52/1002547152.db2.gz JOVZUJYYOLYCNA-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccnn3C)C2)CCC1 ZINC001425394252 1002637867 /nfs/dbraw/zinc/63/78/67/1002637867.db2.gz RMDMZEOPTNXOLP-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420609473 1002684851 /nfs/dbraw/zinc/68/48/51/1002684851.db2.gz JHQQYPZFCLSGTG-CQSZACIVSA-N 1 3 307.442 0.661 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCF ZINC001403908548 1002724257 /nfs/dbraw/zinc/72/42/57/1002724257.db2.gz DJTKIUUYHRUBRP-HUUCEWRRSA-N 1 3 317.449 0.972 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCF ZINC001403908548 1002724268 /nfs/dbraw/zinc/72/42/68/1002724268.db2.gz DJTKIUUYHRUBRP-HUUCEWRRSA-N 1 3 317.449 0.972 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001420746374 1002908389 /nfs/dbraw/zinc/90/83/89/1002908389.db2.gz YEXCZINJYVNYLK-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO COc1ccc(CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C)cn1 ZINC001425634890 1002915711 /nfs/dbraw/zinc/91/57/11/1002915711.db2.gz JWBOHXLWLFFVNV-ZDUSSCGKSA-N 1 3 308.426 0.978 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001425646348 1002923405 /nfs/dbraw/zinc/92/34/05/1002923405.db2.gz FBUQNEFTEZISGN-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001425646348 1002923416 /nfs/dbraw/zinc/92/34/16/1002923416.db2.gz FBUQNEFTEZISGN-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001425646348 1002923422 /nfs/dbraw/zinc/92/34/22/1002923422.db2.gz FBUQNEFTEZISGN-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001425684666 1002956627 /nfs/dbraw/zinc/95/66/27/1002956627.db2.gz QNIVNAZUAGHMCK-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001425684666 1002956637 /nfs/dbraw/zinc/95/66/37/1002956637.db2.gz QNIVNAZUAGHMCK-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001425694697 1002966257 /nfs/dbraw/zinc/96/62/57/1002966257.db2.gz KUFLPCWISUHLQQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001420879515 1003079795 /nfs/dbraw/zinc/07/97/95/1003079795.db2.gz UNVXFXVIMWDYFN-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001405818890 1003107406 /nfs/dbraw/zinc/10/74/06/1003107406.db2.gz VCBMKLYIPGWKJD-CHWSQXEVSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001405916716 1003192263 /nfs/dbraw/zinc/19/22/63/1003192263.db2.gz OECYNMUJKJZHIO-AWEZNQCLSA-N 1 3 322.453 0.662 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCN(C)C1=O ZINC001421143027 1003376356 /nfs/dbraw/zinc/37/63/56/1003376356.db2.gz WMTTVADYCAMFIL-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCN(C)C1=O ZINC001421143027 1003376359 /nfs/dbraw/zinc/37/63/59/1003376359.db2.gz WMTTVADYCAMFIL-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001426104893 1003440237 /nfs/dbraw/zinc/44/02/37/1003440237.db2.gz VICOLPGNDLDSGN-OAHLLOKOSA-N 1 3 315.458 0.116 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001406212401 1003483025 /nfs/dbraw/zinc/48/30/25/1003483025.db2.gz KSOBZOBEHMRGEG-KBPBESRZSA-N 1 3 315.458 0.353 20 0 DCADHO C[C@H](O)CN1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001421330165 1003551869 /nfs/dbraw/zinc/55/18/69/1003551869.db2.gz FGIAOYUAKUIXDC-NWDGAFQWSA-N 1 3 307.385 0.392 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001406301821 1003584691 /nfs/dbraw/zinc/58/46/91/1003584691.db2.gz LXJAWZQRROMPPC-OLZOCXBDSA-N 1 3 321.412 0.829 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001428004253 1003654140 /nfs/dbraw/zinc/65/41/40/1003654140.db2.gz PKYNJTOTCOTWPZ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001428004253 1003654142 /nfs/dbraw/zinc/65/41/42/1003654142.db2.gz PKYNJTOTCOTWPZ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001406514695 1003780048 /nfs/dbraw/zinc/78/00/48/1003780048.db2.gz DIUORFOQTHIPTG-WDEREUQCSA-N 1 3 308.430 0.610 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001426761541 1004015425 /nfs/dbraw/zinc/01/54/25/1004015425.db2.gz PDBOTWWUWDLTJV-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426761541 1004015436 /nfs/dbraw/zinc/01/54/36/1004015436.db2.gz PDBOTWWUWDLTJV-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001406768945 1004074938 /nfs/dbraw/zinc/07/49/38/1004074938.db2.gz LBVTXJWOVWYDDQ-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001428884011 1004238159 /nfs/dbraw/zinc/23/81/59/1004238159.db2.gz TZSRQTOYHMCTDH-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001428884011 1004238170 /nfs/dbraw/zinc/23/81/70/1004238170.db2.gz TZSRQTOYHMCTDH-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)CC[NH+](C)C ZINC001429058291 1004358276 /nfs/dbraw/zinc/35/82/76/1004358276.db2.gz QKWJHKALLYJPHP-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCn1nncc1CNC1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001407465840 1004668286 /nfs/dbraw/zinc/66/82/86/1004668286.db2.gz FQDYJTHHAJFLLO-UHFFFAOYSA-N 1 3 322.457 0.768 20 0 DCADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CCCN1C ZINC001429653618 1004716458 /nfs/dbraw/zinc/71/64/58/1004716458.db2.gz ZNTLIPGMLINPTK-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001407717407 1004819059 /nfs/dbraw/zinc/81/90/59/1004819059.db2.gz NOQHUSAHKNRDDE-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001407717407 1004819063 /nfs/dbraw/zinc/81/90/63/1004819063.db2.gz NOQHUSAHKNRDDE-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001407778715 1004855330 /nfs/dbraw/zinc/85/53/30/1004855330.db2.gz WTNSYUIOXGHFKX-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001407792865 1004865877 /nfs/dbraw/zinc/86/58/77/1004865877.db2.gz RLALBHYOZLGDSI-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001407993859 1004976412 /nfs/dbraw/zinc/97/64/12/1004976412.db2.gz BIMJANWWHKUGLL-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001408025473 1004991796 /nfs/dbraw/zinc/99/17/96/1004991796.db2.gz UNCUTRSVBSQYHI-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001408025473 1004991800 /nfs/dbraw/zinc/99/18/00/1004991800.db2.gz UNCUTRSVBSQYHI-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001408072175 1005018611 /nfs/dbraw/zinc/01/86/11/1005018611.db2.gz OUXOEZUBRPCJDU-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001408072175 1005018617 /nfs/dbraw/zinc/01/86/17/1005018617.db2.gz OUXOEZUBRPCJDU-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001408200642 1005103844 /nfs/dbraw/zinc/10/38/44/1005103844.db2.gz QPFOOPGOTFRKKQ-MJBXVCDLSA-N 1 3 312.458 0.336 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCO ZINC001408312292 1005153669 /nfs/dbraw/zinc/15/36/69/1005153669.db2.gz STQONHQFNXOBED-NVXWUHKLSA-N 1 3 305.422 0.692 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001408465391 1005211902 /nfs/dbraw/zinc/21/19/02/1005211902.db2.gz OROWUDBXLDKAQP-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408465391 1005211904 /nfs/dbraw/zinc/21/19/04/1005211904.db2.gz OROWUDBXLDKAQP-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CCC1 ZINC001414782308 1005401429 /nfs/dbraw/zinc/40/14/29/1005401429.db2.gz NHZPFXDVUSRSRY-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1)N(C)C ZINC001415885973 1005629458 /nfs/dbraw/zinc/62/94/58/1005629458.db2.gz VMANNIQOOYPJHB-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1)N(C)C ZINC001415885973 1005629460 /nfs/dbraw/zinc/62/94/60/1005629460.db2.gz VMANNIQOOYPJHB-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)C1CC[NH+](C)CC1 ZINC001416910137 1005758201 /nfs/dbraw/zinc/75/82/01/1005758201.db2.gz WEJFWBGDJMEFPE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)[C@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC001434765102 1005961040 /nfs/dbraw/zinc/96/10/40/1005961040.db2.gz BLWJWUHYVPSXTN-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC001434765102 1005961047 /nfs/dbraw/zinc/96/10/47/1005961047.db2.gz BLWJWUHYVPSXTN-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001418147950 1006103707 /nfs/dbraw/zinc/10/37/07/1006103707.db2.gz WFPFUYCBQXWXAM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001418147948 1006104443 /nfs/dbraw/zinc/10/44/43/1006104443.db2.gz WFPFUYCBQXWXAM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001418172619 1006125869 /nfs/dbraw/zinc/12/58/69/1006125869.db2.gz HQAAGVQZFMOTCE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001418172619 1006125873 /nfs/dbraw/zinc/12/58/73/1006125873.db2.gz HQAAGVQZFMOTCE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001436357569 1006138660 /nfs/dbraw/zinc/13/86/60/1006138660.db2.gz DGRIIMRKVXCHLT-BETUJISGSA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001438954825 1006266870 /nfs/dbraw/zinc/26/68/70/1006266870.db2.gz UXNIMSZVDCUGQO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC23CC[NH+](CCCO)CC3)CCC1 ZINC001436761572 1006329499 /nfs/dbraw/zinc/32/94/99/1006329499.db2.gz MZRBMEXDYMHCPL-AWEZNQCLSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H](CNCc1cccnc1)NC(=O)COC1CC[NH+](C)CC1 ZINC001439266576 1006639597 /nfs/dbraw/zinc/63/95/97/1006639597.db2.gz ZDFOQDACNICRGH-AWEZNQCLSA-N 1 3 320.437 0.787 20 0 DCADHO CC[C@H](NC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001439267594 1006641215 /nfs/dbraw/zinc/64/12/15/1006641215.db2.gz OWPONNIYBHDHQD-JSGCOSHPSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NCC1CCC1 ZINC001437205137 1006706538 /nfs/dbraw/zinc/70/65/38/1006706538.db2.gz LEOHXHNOVIRYSH-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437311267 1006827918 /nfs/dbraw/zinc/82/79/18/1006827918.db2.gz PJWMMZXYCBICNI-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439412162 1006833691 /nfs/dbraw/zinc/83/36/91/1006833691.db2.gz UODOSCSOUHIVRM-DZGCQCFKSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439412162 1006833699 /nfs/dbraw/zinc/83/36/99/1006833699.db2.gz UODOSCSOUHIVRM-DZGCQCFKSA-N 1 3 307.442 0.351 20 0 DCADHO CCCC[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001437335871 1006853022 /nfs/dbraw/zinc/85/30/22/1006853022.db2.gz ZYBGOHWPSCAWSQ-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H](NC1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1)C(N)=O ZINC001439665174 1007121000 /nfs/dbraw/zinc/12/10/00/1007121000.db2.gz PKXJJUMNLVJNSL-CQSZACIVSA-N 1 3 324.469 0.609 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001439784731 1007197127 /nfs/dbraw/zinc/19/71/27/1007197127.db2.gz TYBRYTROYWBAGF-AWEZNQCLSA-N 1 3 322.457 0.720 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001439788866 1007200575 /nfs/dbraw/zinc/20/05/75/1007200575.db2.gz WEGNITQSFUVUGZ-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001437719014 1007304370 /nfs/dbraw/zinc/30/43/70/1007304370.db2.gz GLTCDYPRGGCOFN-CQSZACIVSA-N 1 3 319.453 0.700 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437835257 1007447638 /nfs/dbraw/zinc/44/76/38/1007447638.db2.gz HETWOXSIZASIHG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437835257 1007447649 /nfs/dbraw/zinc/44/76/49/1007447649.db2.gz HETWOXSIZASIHG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001437841229 1007456837 /nfs/dbraw/zinc/45/68/37/1007456837.db2.gz WSULKGJGTYCPKZ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001437841229 1007456846 /nfs/dbraw/zinc/45/68/46/1007456846.db2.gz WSULKGJGTYCPKZ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCO)C3)CCC1 ZINC001440097698 1007493183 /nfs/dbraw/zinc/49/31/83/1007493183.db2.gz IYVKOIIADFEOEL-KKUMJFAQSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)CCC1 ZINC001440097698 1007493184 /nfs/dbraw/zinc/49/31/84/1007493184.db2.gz IYVKOIIADFEOEL-KKUMJFAQSA-N 1 3 309.454 0.822 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001440109917 1007496343 /nfs/dbraw/zinc/49/63/43/1007496343.db2.gz AVSCNHXSFOIEOX-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001440135454 1007514266 /nfs/dbraw/zinc/51/42/66/1007514266.db2.gz PIQLNVYGHQJDMH-UONOGXRCSA-N 1 3 322.457 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001437998564 1007575523 /nfs/dbraw/zinc/57/55/23/1007575523.db2.gz IOGHDKNUWODNMC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001437998564 1007575532 /nfs/dbraw/zinc/57/55/32/1007575532.db2.gz IOGHDKNUWODNMC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001440263520 1007626276 /nfs/dbraw/zinc/62/62/76/1007626276.db2.gz ZKZVBZATSRPYDJ-UHFFFAOYSA-N 1 3 319.449 0.995 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001440300439 1007652676 /nfs/dbraw/zinc/65/26/76/1007652676.db2.gz DZZJDNJGDMUQTK-KCQAQPDRSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001438312993 1007812666 /nfs/dbraw/zinc/81/26/66/1007812666.db2.gz PKJAFJUTWFRBIL-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1cnn(C)c1 ZINC001438378398 1007872257 /nfs/dbraw/zinc/87/22/57/1007872257.db2.gz XKQOKPCPSRUUKX-AWEZNQCLSA-N 1 3 318.425 0.721 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001440606294 1007916603 /nfs/dbraw/zinc/91/66/03/1007916603.db2.gz IPPUOQYCDVURLL-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001440853290 1008069967 /nfs/dbraw/zinc/06/99/67/1008069967.db2.gz GNHRPMNJCAYXEN-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)CC[N@@H+]1C ZINC001441189196 1008261020 /nfs/dbraw/zinc/26/10/20/1008261020.db2.gz CXOISMYMKOMGCL-YUELXQCFSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)CC[N@H+]1C ZINC001441189196 1008261022 /nfs/dbraw/zinc/26/10/22/1008261022.db2.gz CXOISMYMKOMGCL-YUELXQCFSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(CCCF)C1 ZINC001441207581 1008270491 /nfs/dbraw/zinc/27/04/91/1008270491.db2.gz HJIUTWZJNUMPLI-CYBMUJFWSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001441296125 1008311285 /nfs/dbraw/zinc/31/12/85/1008311285.db2.gz JGOSSKWNIVYTTP-KGLIPLIRSA-N 1 3 322.453 0.126 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN(CCn2cncn2)C1 ZINC001441576856 1008409505 /nfs/dbraw/zinc/40/95/05/1008409505.db2.gz WCIWBTXEKJTQSE-HNNXBMFYSA-N 1 3 322.457 0.448 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CC(F)(F)C2)C1 ZINC001441757882 1008490219 /nfs/dbraw/zinc/49/02/19/1008490219.db2.gz RVWNNEIJUBWPLG-WCQYABFASA-N 1 3 319.396 0.440 20 0 DCADHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(=O)NC ZINC001421493771 1008657497 /nfs/dbraw/zinc/65/74/97/1008657497.db2.gz FDCMSGWKWYTQDF-OAHLLOKOSA-N 1 3 320.437 0.592 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N1CCCC1 ZINC001441951803 1008697080 /nfs/dbraw/zinc/69/70/80/1008697080.db2.gz UYHMXHNMFFMZPT-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N1CCCC1 ZINC001441951803 1008697085 /nfs/dbraw/zinc/69/70/85/1008697085.db2.gz UYHMXHNMFFMZPT-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001421570390 1008742538 /nfs/dbraw/zinc/74/25/38/1008742538.db2.gz IOHKLORUPSAGGY-VVLHAWIVSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001421570390 1008742546 /nfs/dbraw/zinc/74/25/46/1008742546.db2.gz IOHKLORUPSAGGY-VVLHAWIVSA-N 1 3 323.481 0.879 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001421638554 1008846271 /nfs/dbraw/zinc/84/62/71/1008846271.db2.gz SYPGLLXGDKOBJC-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001421638554 1008846288 /nfs/dbraw/zinc/84/62/88/1008846288.db2.gz SYPGLLXGDKOBJC-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001421652089 1008875141 /nfs/dbraw/zinc/87/51/41/1008875141.db2.gz TUPGIRFSAMGROM-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001454158865 1008966081 /nfs/dbraw/zinc/96/60/81/1008966081.db2.gz WJAKCWISYBGGLH-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001454158865 1008966094 /nfs/dbraw/zinc/96/60/94/1008966094.db2.gz WJAKCWISYBGGLH-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CCn1nncc1C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001421722615 1008986551 /nfs/dbraw/zinc/98/65/51/1008986551.db2.gz FEPPVTXSNBEJDB-KGLIPLIRSA-N 1 3 322.457 0.482 20 0 DCADHO CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001442146095 1009018602 /nfs/dbraw/zinc/01/86/02/1009018602.db2.gz KYNORJLWJFTLFV-CYBMUJFWSA-N 1 3 324.469 0.468 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001442195152 1009080647 /nfs/dbraw/zinc/08/06/47/1009080647.db2.gz DXJMHJXCUPDYEL-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](F)CNC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001421814244 1009127106 /nfs/dbraw/zinc/12/71/06/1009127106.db2.gz FPOVTXIJLNDIEK-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@H](F)CNC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001421814244 1009127110 /nfs/dbraw/zinc/12/71/10/1009127110.db2.gz FPOVTXIJLNDIEK-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001421909428 1009249006 /nfs/dbraw/zinc/24/90/06/1009249006.db2.gz WAXGPPSEUFBEON-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001422040693 1009424511 /nfs/dbraw/zinc/42/45/11/1009424511.db2.gz BIJBAMXIEACITH-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CC[NH+](C)C)C(=O)NCC(=O)NCCN1CCCCC1 ZINC001433983071 1009428237 /nfs/dbraw/zinc/42/82/37/1009428237.db2.gz GEOLPORVRRDOFA-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001422050418 1009437157 /nfs/dbraw/zinc/43/71/57/1009437157.db2.gz PMRNCBGXYONPDN-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001434069038 1009519139 /nfs/dbraw/zinc/51/91/39/1009519139.db2.gz DSODAQYCYWCDFI-CQSZACIVSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001434069038 1009519145 /nfs/dbraw/zinc/51/91/45/1009519145.db2.gz DSODAQYCYWCDFI-CQSZACIVSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC001434111909 1009576113 /nfs/dbraw/zinc/57/61/13/1009576113.db2.gz VEUJOEODVWPENN-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC001434111909 1009576129 /nfs/dbraw/zinc/57/61/29/1009576129.db2.gz VEUJOEODVWPENN-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccnn1CC[NH+](C)C ZINC001434365256 1009835928 /nfs/dbraw/zinc/83/59/28/1009835928.db2.gz SSBUJRNGRYVBKD-UONOGXRCSA-N 1 3 305.426 0.753 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001434461626 1009980935 /nfs/dbraw/zinc/98/09/35/1009980935.db2.gz XYUMZPKXJZLATK-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001434461626 1009980942 /nfs/dbraw/zinc/98/09/42/1009980942.db2.gz XYUMZPKXJZLATK-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001506162252 1017082010 /nfs/dbraw/zinc/08/20/10/1017082010.db2.gz UIKBGBXMSQVAHW-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001506162252 1017082021 /nfs/dbraw/zinc/08/20/21/1017082021.db2.gz UIKBGBXMSQVAHW-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@@H]1CCN(C)C1=O ZINC001422447565 1010101277 /nfs/dbraw/zinc/10/12/77/1010101277.db2.gz JHOOLJCQCHPRLR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@@H]1CCN(C)C1=O ZINC001422447565 1010101280 /nfs/dbraw/zinc/10/12/80/1010101280.db2.gz JHOOLJCQCHPRLR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc(CN2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)cn1 ZINC001443252178 1010267197 /nfs/dbraw/zinc/26/71/97/1010267197.db2.gz WDGPQXTYAUHRRT-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CCCC1)NC(=O)CC[NH+](C)C ZINC001422551080 1010284143 /nfs/dbraw/zinc/28/41/43/1010284143.db2.gz JYHXYUWTNMILPE-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001422884188 1010700360 /nfs/dbraw/zinc/70/03/60/1010700360.db2.gz VNUHAYOHRADKCE-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001422884188 1010700365 /nfs/dbraw/zinc/70/03/65/1010700365.db2.gz VNUHAYOHRADKCE-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001422914058 1010733126 /nfs/dbraw/zinc/73/31/26/1010733126.db2.gz ZJEQYHGXLURKGX-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001422914058 1010733128 /nfs/dbraw/zinc/73/31/28/1010733128.db2.gz ZJEQYHGXLURKGX-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001422914059 1010733665 /nfs/dbraw/zinc/73/36/65/1010733665.db2.gz ZJEQYHGXLURKGX-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001422914059 1010733672 /nfs/dbraw/zinc/73/36/72/1010733672.db2.gz ZJEQYHGXLURKGX-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCc1cnnn1C ZINC001443916345 1010747562 /nfs/dbraw/zinc/74/75/62/1010747562.db2.gz LFRNJICXWUDRMA-ZFWWWQNUSA-N 1 3 322.457 0.672 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCc1cnnn1C ZINC001443916345 1010747571 /nfs/dbraw/zinc/74/75/71/1010747571.db2.gz LFRNJICXWUDRMA-ZFWWWQNUSA-N 1 3 322.457 0.672 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001422987641 1010790327 /nfs/dbraw/zinc/79/03/27/1010790327.db2.gz MXPPTFFFDYGCIN-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001422987641 1010790331 /nfs/dbraw/zinc/79/03/31/1010790331.db2.gz MXPPTFFFDYGCIN-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C(C)C)C1=O ZINC001443987819 1010790806 /nfs/dbraw/zinc/79/08/06/1010790806.db2.gz TWFQZGSVSSWUND-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(CC)CC ZINC001444032660 1010812002 /nfs/dbraw/zinc/81/20/02/1010812002.db2.gz GPLCXWOZGWWZLP-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(CC)CC ZINC001444032660 1010812006 /nfs/dbraw/zinc/81/20/06/1010812006.db2.gz GPLCXWOZGWWZLP-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001423020734 1010815014 /nfs/dbraw/zinc/81/50/14/1010815014.db2.gz NTFQAHDDJALTJI-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@H]1CCCNC1=O ZINC001423099157 1010887925 /nfs/dbraw/zinc/88/79/25/1010887925.db2.gz PZLVDWDTNKFVRC-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)NCC1CC1 ZINC001423127299 1010909268 /nfs/dbraw/zinc/90/92/68/1010909268.db2.gz JYFRQDBDJACFAH-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)NCC1CC1 ZINC001423127299 1010909274 /nfs/dbraw/zinc/90/92/74/1010909274.db2.gz JYFRQDBDJACFAH-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001444249104 1010923217 /nfs/dbraw/zinc/92/32/17/1010923217.db2.gz SBMKJIZPCZPRGA-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001423171478 1010939843 /nfs/dbraw/zinc/93/98/43/1010939843.db2.gz MMVOVXQVUNPZCE-ZIAGYGMSSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001444404159 1011001744 /nfs/dbraw/zinc/00/17/44/1011001744.db2.gz PRNCGJNMGYIFEJ-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1)C(N)=O ZINC001423240135 1011008530 /nfs/dbraw/zinc/00/85/30/1011008530.db2.gz QSPBQVCJDJFYGM-ZIAGYGMSSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1)C(N)=O ZINC001423240135 1011008535 /nfs/dbraw/zinc/00/85/35/1011008535.db2.gz QSPBQVCJDJFYGM-ZIAGYGMSSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001444647421 1011114023 /nfs/dbraw/zinc/11/40/23/1011114023.db2.gz HTSVMGRPTVQDMT-ZDUSSCGKSA-N 1 3 320.437 0.326 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNCc1cnnn1C ZINC001444726560 1011149300 /nfs/dbraw/zinc/14/93/00/1011149300.db2.gz XAFWFOOKZMLGBD-UKRRQHHQSA-N 1 3 322.457 0.626 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNCc1cnnn1C ZINC001444726560 1011149301 /nfs/dbraw/zinc/14/93/01/1011149301.db2.gz XAFWFOOKZMLGBD-UKRRQHHQSA-N 1 3 322.457 0.626 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423478331 1011177850 /nfs/dbraw/zinc/17/78/50/1011177850.db2.gz PCBGHYOZIGTHEN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423483355 1011179542 /nfs/dbraw/zinc/17/95/42/1011179542.db2.gz LRCQUHZCLZURJM-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423483355 1011179545 /nfs/dbraw/zinc/17/95/45/1011179545.db2.gz LRCQUHZCLZURJM-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001423490943 1011183565 /nfs/dbraw/zinc/18/35/65/1011183565.db2.gz OYWHEEBSMJADMM-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423645114 1011385362 /nfs/dbraw/zinc/38/53/62/1011385362.db2.gz VYHFMVWRBCANLG-DYVFJYSZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N(CC)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001431621506 1011474693 /nfs/dbraw/zinc/47/46/93/1011474693.db2.gz GWNWGYHYKNSKPL-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001431621506 1011474695 /nfs/dbraw/zinc/47/46/95/1011474695.db2.gz GWNWGYHYKNSKPL-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001431691906 1011549056 /nfs/dbraw/zinc/54/90/56/1011549056.db2.gz BYMDXTKQQHOJST-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431691906 1011549068 /nfs/dbraw/zinc/54/90/68/1011549068.db2.gz BYMDXTKQQHOJST-DGCLKSJQSA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001534230048 1011559319 /nfs/dbraw/zinc/55/93/19/1011559319.db2.gz LZWSTSKWTRTHAI-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001534230048 1011559330 /nfs/dbraw/zinc/55/93/30/1011559330.db2.gz LZWSTSKWTRTHAI-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001431788198 1011650434 /nfs/dbraw/zinc/65/04/34/1011650434.db2.gz ZWWGWKJFTMZZIR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)C12CCC[NH+]1CCC2 ZINC001445399937 1011730701 /nfs/dbraw/zinc/73/07/01/1011730701.db2.gz DSAZUYUJKFBRPH-CYBMUJFWSA-N 1 3 305.426 0.643 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001423952062 1011766679 /nfs/dbraw/zinc/76/66/79/1011766679.db2.gz XCUTWROYDVNVOZ-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445478782 1011807430 /nfs/dbraw/zinc/80/74/30/1011807430.db2.gz FVCASNAQAATDTG-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CNCCO2 ZINC001553351351 1011909265 /nfs/dbraw/zinc/90/92/65/1011909265.db2.gz CDJBXPQYBQVPGJ-UHFFFAOYSA-N 1 3 318.421 0.146 20 0 DCADHO CCn1cc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)nn1 ZINC001424070018 1011946953 /nfs/dbraw/zinc/94/69/53/1011946953.db2.gz QKFYWBOCEWSYEJ-KGLIPLIRSA-N 1 3 322.457 0.434 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001553443170 1011978829 /nfs/dbraw/zinc/97/88/29/1011978829.db2.gz GGCNXNRCUJADSN-CAOSSQGBSA-N 1 3 322.453 0.491 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553443519 1011978862 /nfs/dbraw/zinc/97/88/62/1011978862.db2.gz SILCFPMHDWBYRC-CQSZACIVSA-N 1 3 310.442 0.620 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553445570 1011982699 /nfs/dbraw/zinc/98/26/99/1011982699.db2.gz NZHIOBULURBACB-INMHGKMJSA-N 1 3 322.453 0.777 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)CN(C)CC(C)(C)C ZINC001445608143 1011994439 /nfs/dbraw/zinc/99/44/39/1011994439.db2.gz WQHUVPJMFBJFIR-ZDUSSCGKSA-N 1 3 309.458 0.992 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553513200 1012058313 /nfs/dbraw/zinc/05/83/13/1012058313.db2.gz GAWJGRQRNPFNOX-XQLPTFJDSA-N 1 3 310.442 0.368 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001458226508 1012113417 /nfs/dbraw/zinc/11/34/17/1012113417.db2.gz WVNVSBOWZDOYHS-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001458226508 1012113423 /nfs/dbraw/zinc/11/34/23/1012113423.db2.gz WVNVSBOWZDOYHS-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001424198065 1012158574 /nfs/dbraw/zinc/15/85/74/1012158574.db2.gz PPWRCRPONBQOBG-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001432483011 1012549868 /nfs/dbraw/zinc/54/98/68/1012549868.db2.gz FUPBTMZABQXWEI-HUUCEWRRSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001432483011 1012549888 /nfs/dbraw/zinc/54/98/88/1012549888.db2.gz FUPBTMZABQXWEI-HUUCEWRRSA-N 1 3 324.469 0.099 20 0 DCADHO CN1CCNC[C@@H]1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC001548563099 1012720572 /nfs/dbraw/zinc/72/05/72/1012720572.db2.gz WPSNPMJITAIRSW-GFCCVEGCSA-N 1 3 309.439 0.452 20 0 DCADHO CC[C@H](C(=O)N1CCc2[nH]cnc2C12CC[NH2+]CC2)N(C)C ZINC001548583398 1012765771 /nfs/dbraw/zinc/76/57/71/1012765771.db2.gz YMFRIEJPJCGXDN-CYBMUJFWSA-N 1 3 305.426 0.713 20 0 DCADHO CC[C@H](C(=O)N1CCc2nc[nH]c2C12CC[NH2+]CC2)N(C)C ZINC001548583398 1012765786 /nfs/dbraw/zinc/76/57/86/1012765786.db2.gz YMFRIEJPJCGXDN-CYBMUJFWSA-N 1 3 305.426 0.713 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001548583240 1012765850 /nfs/dbraw/zinc/76/58/50/1012765850.db2.gz XLSPYBDTDHYFTE-ZFWWWQNUSA-N 1 3 319.405 0.722 20 0 DCADHO C[N@H+](C[C@H](O)CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1)C1CC1 ZINC001460249188 1012885005 /nfs/dbraw/zinc/88/50/05/1012885005.db2.gz SIMSDWHJWMJEAU-YESZJQIVSA-N 1 3 317.433 0.642 20 0 DCADHO C[N@@H+](C[C@H](O)CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1)C1CC1 ZINC001460249188 1012885023 /nfs/dbraw/zinc/88/50/23/1012885023.db2.gz SIMSDWHJWMJEAU-YESZJQIVSA-N 1 3 317.433 0.642 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+](C)C[C@H]1CCc2ncnn21)N(C)C ZINC001479796239 1017780053 /nfs/dbraw/zinc/78/00/53/1017780053.db2.gz DQCCRQSDLKHAJA-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+](C)C[C@H]1CCc2ncnn21)N(C)C ZINC001479796239 1017780070 /nfs/dbraw/zinc/78/00/70/1017780070.db2.gz DQCCRQSDLKHAJA-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO COC[C@H](O)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001499312415 1017839723 /nfs/dbraw/zinc/83/97/23/1017839723.db2.gz YNJYRMAGKGCXGT-CYBMUJFWSA-N 1 3 313.442 0.107 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001499926521 1018138822 /nfs/dbraw/zinc/13/88/22/1018138822.db2.gz KNXAIVGURNSNFM-BBRMVZONSA-N 1 3 315.433 0.772 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001499940980 1018145762 /nfs/dbraw/zinc/14/57/62/1018145762.db2.gz AGFFGLOHIOSMNU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001499940980 1018145764 /nfs/dbraw/zinc/14/57/64/1018145764.db2.gz AGFFGLOHIOSMNU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNCc1cn(C)nc1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495648 1018170135 /nfs/dbraw/zinc/17/01/35/1018170135.db2.gz LBUXXBJBVSHNNS-AWEZNQCLSA-N 1 3 307.442 0.618 20 0 DCADHO CCN(CCNCc1cn(C)nc1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495648 1018170141 /nfs/dbraw/zinc/17/01/41/1018170141.db2.gz LBUXXBJBVSHNNS-AWEZNQCLSA-N 1 3 307.442 0.618 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001494980865 1018202128 /nfs/dbraw/zinc/20/21/28/1018202128.db2.gz IJOYQIJNRJMEGJ-JKSUJKDBSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC(=O)NC ZINC001494981493 1018202294 /nfs/dbraw/zinc/20/22/94/1018202294.db2.gz PGCHVVQWEAAVMS-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001497600995 1018264280 /nfs/dbraw/zinc/26/42/80/1018264280.db2.gz IUEZOYAAEJDDJQ-WCYDHSITSA-N 1 3 322.453 0.354 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001497600995 1018264290 /nfs/dbraw/zinc/26/42/90/1018264290.db2.gz IUEZOYAAEJDDJQ-WCYDHSITSA-N 1 3 322.453 0.354 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001495110469 1018323138 /nfs/dbraw/zinc/32/31/38/1018323138.db2.gz YCWIEYOFPWVFSJ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001495110469 1018323141 /nfs/dbraw/zinc/32/31/41/1018323141.db2.gz YCWIEYOFPWVFSJ-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001480301452 1018412874 /nfs/dbraw/zinc/41/28/74/1018412874.db2.gz XCGWVUKWDFVNQN-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497831198 1018456049 /nfs/dbraw/zinc/45/60/49/1018456049.db2.gz GIQCQHGPVLEYQT-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497831198 1018456057 /nfs/dbraw/zinc/45/60/57/1018456057.db2.gz GIQCQHGPVLEYQT-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001480358361 1018462859 /nfs/dbraw/zinc/46/28/59/1018462859.db2.gz AHYFPFQSKBYOEP-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21)N(C)C ZINC001480394821 1018496564 /nfs/dbraw/zinc/49/65/64/1018496564.db2.gz NEYZUDCNXKUMJE-ARKGTOAJSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21)N(C)C ZINC001480394821 1018496566 /nfs/dbraw/zinc/49/65/66/1018496566.db2.gz NEYZUDCNXKUMJE-ARKGTOAJSA-N 1 3 309.454 0.800 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N(C)C)CC1 ZINC001495474725 1018526501 /nfs/dbraw/zinc/52/65/01/1018526501.db2.gz PNIUVJJNEOGKHH-HDJSIYSDSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001480463586 1018561919 /nfs/dbraw/zinc/56/19/19/1018561919.db2.gz WVEGMNYWNKGRJE-WFASDCNBSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001497992174 1018565853 /nfs/dbraw/zinc/56/58/53/1018565853.db2.gz BODXZSXKOLJZQM-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498096824 1018649111 /nfs/dbraw/zinc/64/91/11/1018649111.db2.gz RPRMBIAUWYZUCW-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480575428 1018673648 /nfs/dbraw/zinc/67/36/48/1018673648.db2.gz RUFFLRQJGGVDMW-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001480602050 1018698910 /nfs/dbraw/zinc/69/89/10/1018698910.db2.gz JCVDJVZQHVVSKH-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001496081796 1019044061 /nfs/dbraw/zinc/04/40/61/1019044061.db2.gz NKZWZSVCEKNLJV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001496081796 1019044077 /nfs/dbraw/zinc/04/40/77/1019044077.db2.gz NKZWZSVCEKNLJV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001501641337 1019347998 /nfs/dbraw/zinc/34/79/98/1019347998.db2.gz VNAILUATLDBDLK-DZGCQCFKSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001501709935 1019404164 /nfs/dbraw/zinc/40/41/64/1019404164.db2.gz CYLBJGIHYJKTOM-QKPAOTATSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001501864684 1019527139 /nfs/dbraw/zinc/52/71/39/1019527139.db2.gz KBFBZIHURRORBO-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001501864684 1019527148 /nfs/dbraw/zinc/52/71/48/1019527148.db2.gz KBFBZIHURRORBO-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O)N1CCCC1 ZINC001496897740 1019743932 /nfs/dbraw/zinc/74/39/32/1019743932.db2.gz GQOKJZOSPZFDDH-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494049090 1019947334 /nfs/dbraw/zinc/94/73/34/1019947334.db2.gz UTAXBNXUCIYKQD-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000351767161 282188678 /nfs/dbraw/zinc/18/86/78/282188678.db2.gz FIYUZKWLMNKAJR-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272736805 210141313 /nfs/dbraw/zinc/14/13/13/210141313.db2.gz KBYXNSAPWZQWAK-XJKSGUPXSA-N 1 3 305.422 0.997 20 0 DCADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272736805 210141316 /nfs/dbraw/zinc/14/13/16/210141316.db2.gz KBYXNSAPWZQWAK-XJKSGUPXSA-N 1 3 305.422 0.997 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000342764247 291049381 /nfs/dbraw/zinc/04/93/81/291049381.db2.gz GUFCYJDAGHEANJ-KBPBESRZSA-N 1 3 311.426 0.744 20 0 DCADHO CN1CCN(CC2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000566251339 291288579 /nfs/dbraw/zinc/28/85/79/291288579.db2.gz MXRCQWUJFBDXNL-MRXNPFEDSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000566689007 291319174 /nfs/dbraw/zinc/31/91/74/291319174.db2.gz HXYHGTFMJOBPGI-MJBXVCDLSA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCC1 ZINC000423566891 240210415 /nfs/dbraw/zinc/21/04/15/240210415.db2.gz CLGMWWIXBDGSOW-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO O=C(COC1CC[NH2+]CC1)NC[C@H]1NCCc2ccccc21 ZINC000567047449 291334633 /nfs/dbraw/zinc/33/46/33/291334633.db2.gz BKIOAAWEPBADBW-MRXNPFEDSA-N 1 3 303.406 0.758 20 0 DCADHO CC[NH+](CC)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457404110 241002739 /nfs/dbraw/zinc/00/27/39/241002739.db2.gz LESCAGSALHXCKC-AWEZNQCLSA-N 1 3 300.447 0.474 20 0 DCADHO CC(C(=O)NCC[NH2+]C(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000488235959 241088162 /nfs/dbraw/zinc/08/81/62/241088162.db2.gz URWCQBOQQZIXBW-LLVKDONJSA-N 1 3 320.455 0.473 20 0 DCADHO C[C@H](C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1)C1C[NH2+]C1 ZINC000567611745 291364425 /nfs/dbraw/zinc/36/44/25/291364425.db2.gz GZRDFUIEOXFDDG-VIFPVBQESA-N 1 3 300.366 0.724 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)[C@H]2C1 ZINC000567814643 291379536 /nfs/dbraw/zinc/37/95/36/291379536.db2.gz WMNRAXICVAGVMH-NFAWXSAZSA-N 1 3 318.425 0.196 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000567911508 291390720 /nfs/dbraw/zinc/39/07/20/291390720.db2.gz YLLABBQACVADPI-IAGOWNOFSA-N 1 3 322.497 0.990 20 0 DCADHO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CNCc2ccccc21 ZINC000572481172 291570472 /nfs/dbraw/zinc/57/04/72/291570472.db2.gz URYNZRPUMPTONP-QGZVFWFLSA-N 1 3 317.433 0.836 20 0 DCADHO CC[NH+]1CCC(CNC(=O)N(CCOC)CCN(C)C)CC1 ZINC000572788327 291589093 /nfs/dbraw/zinc/58/90/93/291589093.db2.gz VGWSHEWPZUBNMY-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000339669789 253123743 /nfs/dbraw/zinc/12/37/43/253123743.db2.gz IDKDEHGJBSMAMA-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000339669789 253123746 /nfs/dbraw/zinc/12/37/46/253123746.db2.gz IDKDEHGJBSMAMA-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000340252587 253224907 /nfs/dbraw/zinc/22/49/07/253224907.db2.gz VCYHCFBGQLVKCC-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340800620 253305661 /nfs/dbraw/zinc/30/56/61/253305661.db2.gz OVXPWJDPRMZIPE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340800620 253305663 /nfs/dbraw/zinc/30/56/63/253305663.db2.gz OVXPWJDPRMZIPE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000346144713 254015478 /nfs/dbraw/zinc/01/54/78/254015478.db2.gz AVEBIHDTWDKNGB-OAGGEKHMSA-N 1 3 306.454 0.462 20 0 DCADHO COC(=O)c1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c[nH]1 ZINC000347135924 254132962 /nfs/dbraw/zinc/13/29/62/254132962.db2.gz SWJQJXAZESFSJQ-GFCCVEGCSA-N 1 3 308.382 0.088 20 0 DCADHO COC[C@H](C)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347266523 254143587 /nfs/dbraw/zinc/14/35/87/254143587.db2.gz LJRWZCMTBFBXBI-HOCLYGCPSA-N 1 3 307.438 0.900 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000347974886 254207547 /nfs/dbraw/zinc/20/75/47/254207547.db2.gz WCFBFXYBQIPHKN-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000347655361 254175811 /nfs/dbraw/zinc/17/58/11/254175811.db2.gz PHQZYVBWTGFBIQ-OAHLLOKOSA-N 1 3 304.438 0.971 20 0 DCADHO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CNC2 ZINC000347672963 254177704 /nfs/dbraw/zinc/17/77/04/254177704.db2.gz PMXOEQNESOLMTD-UHFFFAOYSA-N 1 3 303.406 0.866 20 0 DCADHO Cc1cc(NC(=O)CCOC2C[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000348995572 254268742 /nfs/dbraw/zinc/26/87/42/254268742.db2.gz VRPMLOUAQWWVCC-UHFFFAOYSA-N 1 3 321.425 0.775 20 0 DCADHO [NH3+][C@H]1CCc2ncc(NC(=O)C[C@@H]3CSCCN3)cc2C1 ZINC000349057370 254271393 /nfs/dbraw/zinc/27/13/93/254271393.db2.gz NIICSSCAWOQXPD-WCQYABFASA-N 1 3 306.435 0.931 20 0 DCADHO C[C@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000349968587 254306169 /nfs/dbraw/zinc/30/61/69/254306169.db2.gz HQNFRDYHDUKLMM-CYBMUJFWSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C)Cc1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000289715414 221175361 /nfs/dbraw/zinc/17/53/61/221175361.db2.gz FYUXLKUIXFSISV-QGZVFWFLSA-N 1 3 316.449 0.868 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000417097158 262245493 /nfs/dbraw/zinc/24/54/93/262245493.db2.gz WXHKPTAABNSZTG-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N(C)C ZINC000275592792 130343911 /nfs/dbraw/zinc/34/39/11/130343911.db2.gz JZJFVNMDPKGRIO-CYBMUJFWSA-N 1 3 320.437 0.796 20 0 DCADHO C[C@@H](O)CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001647197203 1172735342 /nfs/dbraw/zinc/73/53/42/1172735342.db2.gz DXYWACXPKHIOKV-CYBMUJFWSA-N 1 3 312.458 0.567 20 0 DCADHO CN1CCC[N@H+](CCCNCc2cccc(C(N)=O)c2)CC1 ZINC000237111194 395902793 /nfs/dbraw/zinc/90/27/93/395902793.db2.gz PDKKNKIUXILRQN-UHFFFAOYSA-N 1 3 304.438 0.903 20 0 DCADHO CN1CCC[N@@H+](CCCNCc2cccc(C(N)=O)c2)CC1 ZINC000237111194 395902796 /nfs/dbraw/zinc/90/27/96/395902796.db2.gz PDKKNKIUXILRQN-UHFFFAOYSA-N 1 3 304.438 0.903 20 0 DCADHO O=C(NC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1)[C@@H]1CCC[NH2+]1 ZINC000238005760 395920707 /nfs/dbraw/zinc/92/07/07/395920707.db2.gz ASFCJDLEFBDANI-ILXRZTDVSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)(C)N(C/C=C\C[N@H+](CC(N)=O)C(C)(C)C)CC(N)=O ZINC000255521984 396033051 /nfs/dbraw/zinc/03/30/51/396033051.db2.gz ASYROBQALDOAND-FPLPWBNLSA-N 1 3 312.458 0.714 20 0 DCADHO CC(C)(C)N(C/C=C\C[N@@H+](CC(N)=O)C(C)(C)C)CC(N)=O ZINC000255521984 396033052 /nfs/dbraw/zinc/03/30/52/396033052.db2.gz ASYROBQALDOAND-FPLPWBNLSA-N 1 3 312.458 0.714 20 0 DCADHO CCO[C@H]1C[C@]([NH3+])(C(=O)NCCN(C)CCOC)C1(C)C ZINC000157208780 396062374 /nfs/dbraw/zinc/06/23/74/396062374.db2.gz KZPTWZXZVHLLCI-WFASDCNBSA-N 1 3 301.431 0.213 20 0 DCADHO CC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261774353 396064376 /nfs/dbraw/zinc/06/43/76/396064376.db2.gz RCUFJWLQAQKVEO-OAHLLOKOSA-N 1 3 318.421 0.932 20 0 DCADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000261784141 396065919 /nfs/dbraw/zinc/06/59/19/396065919.db2.gz XESLMZCCQNLDBQ-HRCADAONSA-N 1 3 305.422 0.909 20 0 DCADHO [NH3+][C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000152500924 396010503 /nfs/dbraw/zinc/01/05/03/396010503.db2.gz CUOBKJHMZZBDSD-HNNXBMFYSA-N 1 3 302.422 0.758 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H](CN2CCCC[C@H]2CC[NH3+])C1 ZINC000250939199 396015971 /nfs/dbraw/zinc/01/59/71/396015971.db2.gz IBCIOMUHZWDJPB-KBPBESRZSA-N 1 3 303.472 0.861 20 0 DCADHO C[C@H](C[NH3+])C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000262454339 396141925 /nfs/dbraw/zinc/14/19/25/396141925.db2.gz WGUDGFADBDLJSN-SNVBAGLBSA-N 1 3 306.366 0.689 20 0 DCADHO COCCN1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278948682 396142229 /nfs/dbraw/zinc/14/22/29/396142229.db2.gz GYYPZKVJKDNYBF-GFCCVEGCSA-N 1 3 321.425 0.327 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000171199373 396110261 /nfs/dbraw/zinc/11/02/61/396110261.db2.gz PVKJFZDVKOVDEK-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCO1 ZINC000262381852 396133358 /nfs/dbraw/zinc/13/33/58/396133358.db2.gz XZEIMQYJSGQDCR-WJTFHPDPSA-N 1 3 309.454 0.929 20 0 DCADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262423380 396138383 /nfs/dbraw/zinc/13/83/83/396138383.db2.gz AXUYDBRUEMEXEQ-DLBZAZTESA-N 1 3 317.433 0.798 20 0 DCADHO C[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000261891447 396076825 /nfs/dbraw/zinc/07/68/25/396076825.db2.gz TYGXTHUJQGTNHK-DOMZBBRYSA-N 1 3 318.421 0.347 20 0 DCADHO C[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000261891447 396076826 /nfs/dbraw/zinc/07/68/26/396076826.db2.gz TYGXTHUJQGTNHK-DOMZBBRYSA-N 1 3 318.421 0.347 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261910629 396078638 /nfs/dbraw/zinc/07/86/38/396078638.db2.gz TUEKZIICRCHSSE-NSHDSACASA-N 1 3 310.364 0.281 20 0 DCADHO CCN1CCN(Cc2ccccc2CNC(=O)C2([NH3+])CC2)CC1 ZINC000262710205 396175360 /nfs/dbraw/zinc/17/53/60/396175360.db2.gz PQIRUTYOYULQBQ-UHFFFAOYSA-N 1 3 316.449 0.932 20 0 DCADHO CN1CCC(O)(CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000077822052 396234986 /nfs/dbraw/zinc/23/49/86/396234986.db2.gz MRBBHMNEYGRNDL-UHFFFAOYSA-N 1 3 312.458 0.617 20 0 DCADHO CN1CCC(O)(CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000077822052 396234987 /nfs/dbraw/zinc/23/49/87/396234987.db2.gz MRBBHMNEYGRNDL-UHFFFAOYSA-N 1 3 312.458 0.617 20 0 DCADHO [NH3+]C[C@H](C(=O)NCCCN1CCC(O)CC1)c1ccccc1 ZINC000269228278 396396992 /nfs/dbraw/zinc/39/69/92/396396992.db2.gz GJYIDBIWOZJKMY-INIZCTEOSA-N 1 3 305.422 0.692 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)[NH+](C)C ZINC000269482665 396418149 /nfs/dbraw/zinc/41/81/49/396418149.db2.gz BDAOZSWITBYROL-IRXDYDNUSA-N 1 3 319.449 0.862 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000187904453 396376119 /nfs/dbraw/zinc/37/61/19/396376119.db2.gz NWNVJYTXBBXBDZ-JKSUJKDBSA-N 1 3 321.421 0.620 20 0 DCADHO C[C@@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)C(=O)NCCN(C)C ZINC000580725029 396495705 /nfs/dbraw/zinc/49/57/05/396495705.db2.gz NJYHCPCOEDMUCR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)C(=O)NCCN(C)C ZINC000580725029 396495709 /nfs/dbraw/zinc/49/57/09/396495709.db2.gz NJYHCPCOEDMUCR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)Cc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000580831296 396502786 /nfs/dbraw/zinc/50/27/86/396502786.db2.gz MSFDFEOSJVCJNZ-AWEZNQCLSA-N 1 3 304.394 0.555 20 0 DCADHO CN(CCCn1ccnc1)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000515381115 396505326 /nfs/dbraw/zinc/50/53/26/396505326.db2.gz USCCIMCOYMZHDO-LBPRGKRZSA-N 1 3 302.382 0.845 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000372025313 396483265 /nfs/dbraw/zinc/48/32/65/396483265.db2.gz HSQNTZACLPANNN-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000372025313 396483268 /nfs/dbraw/zinc/48/32/68/396483268.db2.gz HSQNTZACLPANNN-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000372047043 396484485 /nfs/dbraw/zinc/48/44/85/396484485.db2.gz VSYPHJUOEKBDOE-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000372047043 396484488 /nfs/dbraw/zinc/48/44/88/396484488.db2.gz VSYPHJUOEKBDOE-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000581313670 396544940 /nfs/dbraw/zinc/54/49/40/396544940.db2.gz OFGSYNSXARPFOP-QWHCGFSZSA-N 1 3 303.410 0.770 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000561224247 396635279 /nfs/dbraw/zinc/63/52/79/396635279.db2.gz PEYHOJUUPQEUCK-HUUCEWRRSA-N 1 3 309.458 0.160 20 0 DCADHO CC[NH2+]CC1CCN([C@@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000595889856 396676888 /nfs/dbraw/zinc/67/68/88/396676888.db2.gz DBRHMFBTLGKKHX-CQSZACIVSA-N 1 3 311.426 0.472 20 0 DCADHO COC(=O)CCN1CC[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895329 396677628 /nfs/dbraw/zinc/67/76/28/396677628.db2.gz IXCKEKQOVOLVKO-LSDHHAIUSA-N 1 3 323.437 0.614 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNCC2 ZINC000563103320 396703318 /nfs/dbraw/zinc/70/33/18/396703318.db2.gz DQWNSQKPIWNHQK-OAHLLOKOSA-N 1 3 316.405 0.529 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000595990784 396703967 /nfs/dbraw/zinc/70/39/67/396703967.db2.gz RTBYSAURIFBVFX-CHWSQXEVSA-N 1 3 305.426 0.933 20 0 DCADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1 ZINC000629558516 396786984 /nfs/dbraw/zinc/78/69/84/396786984.db2.gz IWDWWZXXZOHHJB-HNNXBMFYSA-N 1 3 309.385 0.602 20 0 DCADHO CC(C)[C@H](CNC[C@H](O)C[NH+]1CCCC1)N1CCN(C)CC1 ZINC000629562566 396787402 /nfs/dbraw/zinc/78/74/02/396787402.db2.gz OJHPMDNWPORJME-IRXDYDNUSA-N 1 3 312.502 0.305 20 0 DCADHO CC(C)[C@H](C[NH2+]C[C@H](O)CN1CCCC1)N1CCN(C)CC1 ZINC000629562566 396787405 /nfs/dbraw/zinc/78/74/05/396787405.db2.gz OJHPMDNWPORJME-IRXDYDNUSA-N 1 3 312.502 0.305 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000563453543 396739604 /nfs/dbraw/zinc/73/96/04/396739604.db2.gz DGWBNRIOISXQKM-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO O=C(NC[C@H]1CCCN(CC2=CCCOC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629647426 396815289 /nfs/dbraw/zinc/81/52/89/396815289.db2.gz UOAZRNKQASSKNF-ZBFHGGJFSA-N 1 3 307.438 0.913 20 0 DCADHO O=C(NCCN1CCCCCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000321393146 396815923 /nfs/dbraw/zinc/81/59/23/396815923.db2.gz OWROUYDOQVYUMW-UHFFFAOYSA-N 1 3 320.441 0.808 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000331588733 396871758 /nfs/dbraw/zinc/87/17/58/396871758.db2.gz YDQZSZKFSFQZIR-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N(C)C1CC1 ZINC000342057805 396984338 /nfs/dbraw/zinc/98/43/38/396984338.db2.gz GDIXZYZEHRGNJN-IPYPFGDCSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000572638867 397080291 /nfs/dbraw/zinc/08/02/91/397080291.db2.gz DNBWXWMAUJASNN-OLZOCXBDSA-N 1 3 323.441 0.947 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000572380294 397053852 /nfs/dbraw/zinc/05/38/52/397053852.db2.gz RFRRBYSNJFLXEH-RRFJBIMHSA-N 1 3 310.442 0.348 20 0 DCADHO CN(CCC[NH+](C)C)CCn1cc([C@@H](N)[C@H]2CCCO2)nn1 ZINC000630611366 397060396 /nfs/dbraw/zinc/06/03/96/397060396.db2.gz FCALSFQRCDVVMH-HUUCEWRRSA-N 1 3 310.446 0.340 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ncc2n1CCCC2 ZINC000630931015 397138303 /nfs/dbraw/zinc/13/83/03/397138303.db2.gz LDJWOUUOVHXTNJ-UHFFFAOYSA-N 1 3 307.442 0.785 20 0 DCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CCN2C1=O ZINC000573138480 397138486 /nfs/dbraw/zinc/13/84/86/397138486.db2.gz MGPAAAGVLDUNHL-XJFOESAGSA-N 1 3 308.426 0.055 20 0 DCADHO COC[C@@]1(C(=O)NCCN(C)Cc2ccccc2)CC[NH2+]C1 ZINC000386782924 397290005 /nfs/dbraw/zinc/29/00/05/397290005.db2.gz MQEVFIAPSQHCIA-QGZVFWFLSA-N 1 3 305.422 0.861 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000574336348 397258364 /nfs/dbraw/zinc/25/83/64/397258364.db2.gz CQGHOEOOJUOMPG-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCOC[C@@H]1CCCO1 ZINC000577753497 397359697 /nfs/dbraw/zinc/35/96/97/397359697.db2.gz KDIURDAYDIPEPM-CABCVRRESA-N 1 3 313.442 0.502 20 0 DCADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2)CC1 ZINC000602277186 397360557 /nfs/dbraw/zinc/36/05/57/397360557.db2.gz BPKXCIVDUVIQBW-LSDHHAIUSA-N 1 3 318.469 0.683 20 0 DCADHO COC[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000578069199 397386486 /nfs/dbraw/zinc/38/64/86/397386486.db2.gz UUVUHSLIRKBGJG-HNNXBMFYSA-N 1 3 320.437 0.070 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000621653405 397409662 /nfs/dbraw/zinc/40/96/62/397409662.db2.gz XOZYYYOPTVBEAY-HOTGVXAUSA-N 1 3 310.486 0.766 20 0 DCADHO CC(C(=O)NCC[NH2+]C(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000488235961 397488193 /nfs/dbraw/zinc/48/81/93/397488193.db2.gz URWCQBOQQZIXBW-NSHDSACASA-N 1 3 320.455 0.473 20 0 DCADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H](C)C1 ZINC000579091181 397520737 /nfs/dbraw/zinc/52/07/37/397520737.db2.gz BQZVHTSSWKDWOH-VGWMRTNUSA-N 1 3 323.485 0.262 20 0 DCADHO O=C(NCCNc1ccncc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000579832302 397594683 /nfs/dbraw/zinc/59/46/83/397594683.db2.gz VKKFDDUBINELSL-GOSISDBHSA-N 1 3 310.401 0.963 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000606699476 397687122 /nfs/dbraw/zinc/68/71/22/397687122.db2.gz OMGUSWNHUCHRJV-HIFRSBDPSA-N 1 3 312.458 0.737 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCNC2)[C@@H](C)C1 ZINC000371273877 286061520 /nfs/dbraw/zinc/06/15/20/286061520.db2.gz SMWAWGRETAATFB-OFQRWUPVSA-N 1 3 315.433 0.941 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCNC2)[C@@H](C)C1 ZINC000371273877 286061521 /nfs/dbraw/zinc/06/15/21/286061521.db2.gz SMWAWGRETAATFB-OFQRWUPVSA-N 1 3 315.433 0.941 20 0 DCADHO COC(=O)C1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000126541848 158266106 /nfs/dbraw/zinc/26/61/06/158266106.db2.gz NNBIIDPMZZVVBL-UHFFFAOYSA-N 1 3 323.437 0.614 20 0 DCADHO O=C1CNC(=O)N1CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134889817 158332286 /nfs/dbraw/zinc/33/22/86/158332286.db2.gz ZROHUUDGIIJRKN-HIFRSBDPSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1CNC(=O)N1CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134889817 158332288 /nfs/dbraw/zinc/33/22/88/158332288.db2.gz ZROHUUDGIIJRKN-HIFRSBDPSA-N 1 3 320.437 0.877 20 0 DCADHO C[C@H](CC(=O)NCCCN1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000165003686 158363321 /nfs/dbraw/zinc/36/33/21/158363321.db2.gz AVWHRPCNHQZKQZ-CABCVRRESA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)(CNC(=O)[C@@H]1CN2CCN1CCC2)[NH+]1CCCCC1 ZINC000367166962 159318285 /nfs/dbraw/zinc/31/82/85/159318285.db2.gz BOLTVAMUFPTRCW-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262328908 298559229 /nfs/dbraw/zinc/55/92/29/298559229.db2.gz SAPRBRXIPYDWGE-OAHLLOKOSA-N 1 3 319.453 0.952 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000249217694 287108019 /nfs/dbraw/zinc/10/80/19/287108019.db2.gz FLUVUXSJXXZCFD-HZPDHXFCSA-N 1 3 301.475 0.466 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000249217694 287108024 /nfs/dbraw/zinc/10/80/24/287108024.db2.gz FLUVUXSJXXZCFD-HZPDHXFCSA-N 1 3 301.475 0.466 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC000340217227 287149094 /nfs/dbraw/zinc/14/90/94/287149094.db2.gz DLLYPFBPTLVMOO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000340217227 287149095 /nfs/dbraw/zinc/14/90/95/287149095.db2.gz DLLYPFBPTLVMOO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)CC[N@@H+]1C ZINC000354774763 287170292 /nfs/dbraw/zinc/17/02/92/287170292.db2.gz AYBLEFRFRZCGQS-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)CC[N@H+]1C ZINC000354774763 287170295 /nfs/dbraw/zinc/17/02/95/287170295.db2.gz AYBLEFRFRZCGQS-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000332087112 287218343 /nfs/dbraw/zinc/21/83/43/287218343.db2.gz HULUVOJZSWGZEG-GBJTYRQASA-N 1 3 322.453 0.315 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418185149 287241944 /nfs/dbraw/zinc/24/19/44/287241944.db2.gz APOLMIISPFIUJB-CYBMUJFWSA-N 1 3 323.441 0.677 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418400602 287248582 /nfs/dbraw/zinc/24/85/82/287248582.db2.gz FXMDNKDSWPDTCX-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000418956812 287258025 /nfs/dbraw/zinc/25/80/25/287258025.db2.gz ZJFIWZVRPRWBLB-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418956797 287258038 /nfs/dbraw/zinc/25/80/38/287258038.db2.gz ZILNYTWZKUWOPJ-MJBXVCDLSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000419046751 287263835 /nfs/dbraw/zinc/26/38/35/287263835.db2.gz QTTWUJIYLOYUOZ-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419149726 287269455 /nfs/dbraw/zinc/26/94/55/287269455.db2.gz LGWICNOALIVRJQ-GXTWGEPZSA-N 1 3 312.458 0.467 20 0 DCADHO CCS(=O)(=O)NCCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420310737 287289011 /nfs/dbraw/zinc/28/90/11/287289011.db2.gz GSIHWXXIHAFCAI-AWEZNQCLSA-N 1 3 303.472 0.637 20 0 DCADHO C[NH2+]CCCN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420386474 287295037 /nfs/dbraw/zinc/29/50/37/287295037.db2.gz IPUPXWLHWNBQPT-INIZCTEOSA-N 1 3 306.454 0.947 20 0 DCADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@H](C)CN1 ZINC000331595730 415145921 /nfs/dbraw/zinc/14/59/21/415145921.db2.gz ZAKFOLPGDWHPJF-KFWWJZLASA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@H](C)CN1 ZINC000331595730 415145929 /nfs/dbraw/zinc/14/59/29/415145929.db2.gz ZAKFOLPGDWHPJF-KFWWJZLASA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@@H](C)CN1 ZINC000331595727 415147561 /nfs/dbraw/zinc/14/75/61/415147561.db2.gz ZAKFOLPGDWHPJF-ILXRZTDVSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@@H](C)CN1 ZINC000331595727 415147567 /nfs/dbraw/zinc/14/75/67/415147567.db2.gz ZAKFOLPGDWHPJF-ILXRZTDVSA-N 1 3 312.458 0.879 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000332099926 415244098 /nfs/dbraw/zinc/24/40/98/415244098.db2.gz QZLHBCIIYXJAPG-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000332129180 415257116 /nfs/dbraw/zinc/25/71/16/415257116.db2.gz HULAERCZQRVISG-CKEIUWERSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000332151228 415270321 /nfs/dbraw/zinc/27/03/21/415270321.db2.gz NBXYREQUPIKIEY-ILXRZTDVSA-N 1 3 322.453 0.138 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000342765417 415286532 /nfs/dbraw/zinc/28/65/32/415286532.db2.gz NXAGGCOIZXXFMJ-VXGBXAGGSA-N 1 3 301.431 0.750 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422902471 287302421 /nfs/dbraw/zinc/30/24/21/287302421.db2.gz DHJLPWUEIDFZHG-HOTGVXAUSA-N 1 3 304.438 0.947 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN(C)CCOC ZINC000352772598 415315344 /nfs/dbraw/zinc/31/53/44/415315344.db2.gz RJRYJHBFECJHSY-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN(C)CCOC ZINC000352772598 415315347 /nfs/dbraw/zinc/31/53/47/415315347.db2.gz RJRYJHBFECJHSY-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)NCCN(C)CCOC)CC1 ZINC000074064914 415429979 /nfs/dbraw/zinc/42/99/79/415429979.db2.gz AUVBWXAPLLVELL-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000332568329 415414996 /nfs/dbraw/zinc/41/49/96/415414996.db2.gz VGRNNKJQPFSMOP-GBJTYRQASA-N 1 3 322.453 0.458 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000332578839 415416075 /nfs/dbraw/zinc/41/60/75/415416075.db2.gz ALZVQKFSKSTMCW-KCQAQPDRSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343173704 415482666 /nfs/dbraw/zinc/48/26/66/415482666.db2.gz PUZXEAUERSSFIQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343173704 415482669 /nfs/dbraw/zinc/48/26/69/415482669.db2.gz PUZXEAUERSSFIQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)S(=O)(=O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000353149680 415454325 /nfs/dbraw/zinc/45/43/25/415454325.db2.gz AVOWAAGXYKBPHD-PBWFPOADSA-N 1 3 303.472 0.825 20 0 DCADHO CN(C)S(=O)(=O)CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000353149680 415454327 /nfs/dbraw/zinc/45/43/27/415454327.db2.gz AVOWAAGXYKBPHD-PBWFPOADSA-N 1 3 303.472 0.825 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000343285013 415532861 /nfs/dbraw/zinc/53/28/61/415532861.db2.gz IRHBIZSVLUKAHP-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353428657 415536517 /nfs/dbraw/zinc/53/65/17/415536517.db2.gz DQHRKFPOJCHDRC-HNNXBMFYSA-N 1 3 323.485 0.502 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000353428657 415536525 /nfs/dbraw/zinc/53/65/25/415536525.db2.gz DQHRKFPOJCHDRC-HNNXBMFYSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(N)C(F)(F)F)CC1 ZINC000353451061 415550377 /nfs/dbraw/zinc/55/03/77/415550377.db2.gz PIUXDMHEDLGYSZ-GXSJLCMTSA-N 1 3 311.348 0.427 20 0 DCADHO Cc1nn(C)c(C)c1CCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211204 415612398 /nfs/dbraw/zinc/61/23/98/415612398.db2.gz FBYZDJLPASDNBV-UHFFFAOYSA-N 1 3 323.485 0.921 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NC1CC[NH+](C)CC1 ZINC000353701755 415631394 /nfs/dbraw/zinc/63/13/94/415631394.db2.gz OEWQYBYQEJOAKQ-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2CCC[NH2+]C2)CCSC1 ZINC000333393023 415636257 /nfs/dbraw/zinc/63/62/57/415636257.db2.gz PAJUGVOQEVNAPU-GXTWGEPZSA-N 1 3 300.472 0.723 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H]1C ZINC000333429395 415647938 /nfs/dbraw/zinc/64/79/38/415647938.db2.gz UJOGCFAEPVLIOQ-UGQVUOCMSA-N 1 3 324.469 0.756 20 0 DCADHO C[C@H](CNC(=O)NCCN1CC=CCC1)C[NH+]1CCN(C)CC1 ZINC000353890455 415685853 /nfs/dbraw/zinc/68/58/53/415685853.db2.gz BNYSRCXGDKVXLX-MRXNPFEDSA-N 1 3 323.485 0.431 20 0 DCADHO CN1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccccc1 ZINC000333599177 415693750 /nfs/dbraw/zinc/69/37/50/415693750.db2.gz PJMKGWTVZWRLLR-ZVDSWSACSA-N 1 3 300.406 0.949 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343836908 415745887 /nfs/dbraw/zinc/74/58/87/415745887.db2.gz VOOCGFZDWYNMOF-OIYCOIKZSA-N 1 3 305.422 0.496 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000290275374 415784161 /nfs/dbraw/zinc/78/41/61/415784161.db2.gz YXWUDIBZWUTLCB-CWRNSKLLSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000290275374 415784168 /nfs/dbraw/zinc/78/41/68/415784168.db2.gz YXWUDIBZWUTLCB-CWRNSKLLSA-N 1 3 305.422 0.987 20 0 DCADHO CCN(C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356213567 415884644 /nfs/dbraw/zinc/88/46/44/415884644.db2.gz XOYXQQDAFFRGKN-UHFFFAOYSA-N 1 3 312.458 0.882 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000173694280 416063972 /nfs/dbraw/zinc/06/39/72/416063972.db2.gz JEORYHOKCPZXHI-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@@H]([N@H+](C)CCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000338305901 416074516 /nfs/dbraw/zinc/07/45/16/416074516.db2.gz NHNWXGRJAHERAA-JKSUJKDBSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CC[C@@H]([N@@H+](C)CCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000338305901 416074521 /nfs/dbraw/zinc/07/45/21/416074521.db2.gz NHNWXGRJAHERAA-JKSUJKDBSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000338305901 416074523 /nfs/dbraw/zinc/07/45/23/416074523.db2.gz NHNWXGRJAHERAA-JKSUJKDBSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCN(C)CC2)C[C@@H]1C ZINC000338305901 416074526 /nfs/dbraw/zinc/07/45/26/416074526.db2.gz NHNWXGRJAHERAA-JKSUJKDBSA-N 1 3 310.486 0.955 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000168376373 416025299 /nfs/dbraw/zinc/02/52/99/416025299.db2.gz GATJWLSMUYWKOE-HNNXBMFYSA-N 1 3 318.421 0.346 20 0 DCADHO CCN1CCN(CCC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000338006988 416032750 /nfs/dbraw/zinc/03/27/50/416032750.db2.gz HZZKWKIMIMXFBX-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000357585307 416100435 /nfs/dbraw/zinc/10/04/35/416100435.db2.gz VKWWSFJKZTVPLB-CYBMUJFWSA-N 1 3 320.437 0.796 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)CN1CC[NH2+]CC1 ZINC000314742355 416112335 /nfs/dbraw/zinc/11/23/35/416112335.db2.gz SBOPKLPNHLUGCE-UHFFFAOYSA-N 1 3 306.410 0.601 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357703824 416119278 /nfs/dbraw/zinc/11/92/78/416119278.db2.gz DBEJSDFEJDBPFL-GJZGRUSLSA-N 1 3 323.462 0.978 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000330127148 416195859 /nfs/dbraw/zinc/19/58/59/416195859.db2.gz DDPBGVQYUJNWJS-QWHCGFSZSA-N 1 3 308.426 0.985 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000330127148 416195863 /nfs/dbraw/zinc/19/58/63/416195863.db2.gz DDPBGVQYUJNWJS-QWHCGFSZSA-N 1 3 308.426 0.985 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000358134879 416199121 /nfs/dbraw/zinc/19/91/21/416199121.db2.gz QTPQVBYXJKGLMJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000358134879 416199124 /nfs/dbraw/zinc/19/91/24/416199124.db2.gz QTPQVBYXJKGLMJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC2CCN(C)CC2)C1 ZINC000348069942 416231040 /nfs/dbraw/zinc/23/10/40/416231040.db2.gz IFJBGKCCXALPMA-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357975088 416163403 /nfs/dbraw/zinc/16/34/03/416163403.db2.gz PHGPDEZRZOPMOF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357975088 416163407 /nfs/dbraw/zinc/16/34/07/416163407.db2.gz PHGPDEZRZOPMOF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1cc(N2CCC[C@H](N3CCC4(C3)CC[NH2+]CC4)C2=O)cn1 ZINC000358507650 416245645 /nfs/dbraw/zinc/24/56/45/416245645.db2.gz KZIHBBYBEUCZAC-HNNXBMFYSA-N 1 3 317.437 0.991 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000358536158 416253592 /nfs/dbraw/zinc/25/35/92/416253592.db2.gz YLMGBXGNPFXBBK-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000359319898 416322124 /nfs/dbraw/zinc/32/21/24/416322124.db2.gz JGINSFMIZUQOIJ-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000359319898 416322126 /nfs/dbraw/zinc/32/21/26/416322126.db2.gz JGINSFMIZUQOIJ-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000351659382 416280906 /nfs/dbraw/zinc/28/09/06/416280906.db2.gz BUEVOOPGTJOZSI-GJZGRUSLSA-N 1 3 313.490 0.652 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261988293 416335810 /nfs/dbraw/zinc/33/58/10/416335810.db2.gz SPJADPHCIGYWBP-HRCADAONSA-N 1 3 303.406 0.663 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415954557 416357881 /nfs/dbraw/zinc/35/78/81/416357881.db2.gz OHOWWYRWDUFVLX-GFCCVEGCSA-N 1 3 321.429 0.348 20 0 DCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000359927917 416366354 /nfs/dbraw/zinc/36/63/54/416366354.db2.gz ZIRPQBWADDMHQM-DZGCQCFKSA-N 1 3 300.447 0.473 20 0 DCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000359927917 416366356 /nfs/dbraw/zinc/36/63/56/416366356.db2.gz ZIRPQBWADDMHQM-DZGCQCFKSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000420020779 416416013 /nfs/dbraw/zinc/41/60/13/416416013.db2.gz GFCCQEJMMDVTDH-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418198490 416385569 /nfs/dbraw/zinc/38/55/69/416385569.db2.gz VLFSCSDIDWMKLM-AWEZNQCLSA-N 1 3 323.441 0.805 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000418554485 416387561 /nfs/dbraw/zinc/38/75/61/416387561.db2.gz IHTQYAOSVSGJJA-RBSFLKMASA-N 1 3 312.458 0.519 20 0 DCADHO COC[C@]1(CNC(=O)N(CCN(C)C)CC(C)C)CCC[NH2+]1 ZINC000418656800 416388506 /nfs/dbraw/zinc/38/85/06/416388506.db2.gz QBKWMBIQXGHGOV-MRXNPFEDSA-N 1 3 314.474 0.984 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419289114 416398851 /nfs/dbraw/zinc/39/88/51/416398851.db2.gz SQGSIKQOLRATIO-AWEZNQCLSA-N 1 3 312.458 0.340 20 0 DCADHO CC[C@H](NCC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423171807 416473265 /nfs/dbraw/zinc/47/32/65/416473265.db2.gz QBGFESCZRAKMAO-IRXDYDNUSA-N 1 3 324.513 0.903 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423326712 416491310 /nfs/dbraw/zinc/49/13/10/416491310.db2.gz MVKLMPFNRWPEJZ-CYBMUJFWSA-N 1 3 310.446 0.723 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NCC2CC[NH2+]CC2)CCCO1 ZINC000583921402 416484197 /nfs/dbraw/zinc/48/41/97/416484197.db2.gz VAAIMDILPPRVGA-AWEZNQCLSA-N 1 3 312.458 0.786 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000583988572 416491388 /nfs/dbraw/zinc/49/13/88/416491388.db2.gz DJZQDEKPKQOYKX-ZIAGYGMSSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C1=CCN(C)CC1 ZINC000458638871 416488728 /nfs/dbraw/zinc/48/87/28/416488728.db2.gz UDKPNRFWWNVCDX-GOEBONIOSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)C1=CCN(C)CC1 ZINC000458638871 416488732 /nfs/dbraw/zinc/48/87/32/416488732.db2.gz UDKPNRFWWNVCDX-GOEBONIOSA-N 1 3 324.469 0.783 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000422485827 416433932 /nfs/dbraw/zinc/43/39/32/416433932.db2.gz FOBYAYKEPJXXQH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000422485827 416433933 /nfs/dbraw/zinc/43/39/33/416433933.db2.gz FOBYAYKEPJXXQH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CCN(C2CC2)C1 ZINC000458679084 416490050 /nfs/dbraw/zinc/49/00/50/416490050.db2.gz ALUCYVMGFIKBFA-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO N[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCC1 ZINC000422542096 416438986 /nfs/dbraw/zinc/43/89/86/416438986.db2.gz POUJXSFLBQQFHN-MNOVXSKESA-N 1 3 308.348 0.066 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NC(C)(C)CC[NH3+])CCCO1 ZINC000422619908 416442421 /nfs/dbraw/zinc/44/24/21/416442421.db2.gz OBKHQABDBKFVGP-ZDUSSCGKSA-N 1 3 300.447 0.914 20 0 DCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000582181947 416448965 /nfs/dbraw/zinc/44/89/65/416448965.db2.gz FCOPTILFNZNUGH-GDBMZVCRSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@H+](C)C1CC1 ZINC000458280520 416449154 /nfs/dbraw/zinc/44/91/54/416449154.db2.gz CYWBYLLBEBELFH-ZIAGYGMSSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@@H+](C)C1CC1 ZINC000458280520 416449157 /nfs/dbraw/zinc/44/91/57/416449157.db2.gz CYWBYLLBEBELFH-ZIAGYGMSSA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422973796 416455264 /nfs/dbraw/zinc/45/52/64/416455264.db2.gz POCGWSGLLWSDTG-MOKVOYLWSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423524801 416521163 /nfs/dbraw/zinc/52/11/63/416521163.db2.gz ZZBCEKLAISWDKM-SOUVJXGZSA-N 1 3 324.469 0.371 20 0 DCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423609996 416527055 /nfs/dbraw/zinc/52/70/55/416527055.db2.gz MKFURFWBPNVGJP-UHFFFAOYSA-N 1 3 312.439 0.055 20 0 DCADHO CN(C)CCN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423713991 416545618 /nfs/dbraw/zinc/54/56/18/416545618.db2.gz RJCKJOLDELMUKX-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)[C@H]1C[NH3+] ZINC000423722370 416549318 /nfs/dbraw/zinc/54/93/18/416549318.db2.gz FQHLZDUXCGUXMR-JSGCOSHPSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1CN ZINC000423728376 416551507 /nfs/dbraw/zinc/55/15/07/416551507.db2.gz JOAHBROGEWZQDZ-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO COC[C@@]1(C(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]C1 ZINC000423347325 416493569 /nfs/dbraw/zinc/49/35/69/416493569.db2.gz RCDVPNABBAPMDL-ZIAGYGMSSA-N 1 3 301.456 0.166 20 0 DCADHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362079863 416560766 /nfs/dbraw/zinc/56/07/66/416560766.db2.gz QISJRNQSJPGNKL-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)(C)CCN1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362079863 416560769 /nfs/dbraw/zinc/56/07/69/416560769.db2.gz QISJRNQSJPGNKL-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000584162799 416504530 /nfs/dbraw/zinc/50/45/30/416504530.db2.gz KKTQZLNNCSYIIU-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO COc1ccc([C@H](NC[C@H]2CNCCN2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423485534 416516493 /nfs/dbraw/zinc/51/64/93/416516493.db2.gz AVLICDHOTROVND-NJAFHUGGSA-N 1 3 318.465 0.982 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1=O ZINC000423967611 416598106 /nfs/dbraw/zinc/59/81/06/416598106.db2.gz SWNGYABVXYIMDA-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1=O ZINC000423967609 416599358 /nfs/dbraw/zinc/59/93/58/416599358.db2.gz SWNGYABVXYIMDA-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000539812430 416586801 /nfs/dbraw/zinc/58/68/01/416586801.db2.gz BZFNZGRIDUNNJR-OWCLPIDISA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000539812430 416586804 /nfs/dbraw/zinc/58/68/04/416586804.db2.gz BZFNZGRIDUNNJR-OWCLPIDISA-N 1 3 308.470 0.565 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CC12CC[NH2+]CC2 ZINC000424149554 416617556 /nfs/dbraw/zinc/61/75/56/416617556.db2.gz BWLVDSKLAHLGTL-HZSPNIEDSA-N 1 3 317.437 0.721 20 0 DCADHO C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N(C)C1CC1 ZINC000424155641 416620230 /nfs/dbraw/zinc/62/02/30/416620230.db2.gz NGLVHANTPLEIDU-AAEUAGOBSA-N 1 3 306.414 0.415 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN(C)C(C)C)c1 ZINC000424445425 416647050 /nfs/dbraw/zinc/64/70/50/416647050.db2.gz FMXRLWRJKBDWSH-UHFFFAOYSA-N 1 3 306.410 0.849 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000514784313 416674792 /nfs/dbraw/zinc/67/47/92/416674792.db2.gz ALWIBSLCDMFBNX-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO COCCOCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368820278 416695192 /nfs/dbraw/zinc/69/51/92/416695192.db2.gz CYLRIHQLHWTGEZ-UHFFFAOYSA-N 1 3 313.486 0.999 20 0 DCADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756453 416712540 /nfs/dbraw/zinc/71/25/40/416712540.db2.gz DQABDGQYPCCMEQ-NWDGAFQWSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756453 416712545 /nfs/dbraw/zinc/71/25/45/416712545.db2.gz DQABDGQYPCCMEQ-NWDGAFQWSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756453 416712551 /nfs/dbraw/zinc/71/25/51/416712551.db2.gz DQABDGQYPCCMEQ-NWDGAFQWSA-N 1 3 304.394 0.783 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000614853741 416714440 /nfs/dbraw/zinc/71/44/40/416714440.db2.gz HITXDQYUSOAQGZ-HOTGVXAUSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000614853741 416714443 /nfs/dbraw/zinc/71/44/43/416714443.db2.gz HITXDQYUSOAQGZ-HOTGVXAUSA-N 1 3 320.437 0.332 20 0 DCADHO NCc1cn([C@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000631844785 416759989 /nfs/dbraw/zinc/75/99/89/416759989.db2.gz MNNUNNYVDNSNQX-KRWDZBQOSA-N 1 3 312.421 0.830 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000426349509 416763908 /nfs/dbraw/zinc/76/39/08/416763908.db2.gz FDEWCEJVEFXNHE-DLBZAZTESA-N 1 3 320.481 0.852 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)C2)CC1 ZINC000426349509 416763914 /nfs/dbraw/zinc/76/39/14/416763914.db2.gz FDEWCEJVEFXNHE-DLBZAZTESA-N 1 3 320.481 0.852 20 0 DCADHO O=S(=O)(CCC[NH+]1CCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000631927213 416808678 /nfs/dbraw/zinc/80/86/78/416808678.db2.gz TUWKEZRKUHIYHM-HNNXBMFYSA-N 1 3 315.483 0.876 20 0 DCADHO CC1(CNS(=O)(=O)CCCN2CCCC2)CC[NH2+]CC1 ZINC000631934663 416813492 /nfs/dbraw/zinc/81/34/92/416813492.db2.gz HHYOZRCGLDAVOB-UHFFFAOYSA-N 1 3 303.472 0.781 20 0 DCADHO O=S(=O)(CCCN1CCCC1)NCCC[C@H]1CCC[NH2+]1 ZINC000631940906 416819083 /nfs/dbraw/zinc/81/90/83/416819083.db2.gz JDYKZGJJZLLNPU-CQSZACIVSA-N 1 3 303.472 0.924 20 0 DCADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000444357355 416836085 /nfs/dbraw/zinc/83/60/85/416836085.db2.gz ODCHRKSAFBMGNW-KGLIPLIRSA-N 1 3 314.474 0.632 20 0 DCADHO O=C1CC[C@@H]2CN(CCN3CC[NH2+]CC3)CC[C@@H]2N1C1CC1 ZINC000564988302 416904451 /nfs/dbraw/zinc/90/44/51/416904451.db2.gz AVUSBAVOCLCZJQ-ZBFHGGJFSA-N 1 3 306.454 0.367 20 0 DCADHO Nc1nc(N)nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000623936683 416921145 /nfs/dbraw/zinc/92/11/45/416921145.db2.gz GNXYZUNDJNPXJN-GFCCVEGCSA-N 1 3 305.430 0.789 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624023400 416941769 /nfs/dbraw/zinc/94/17/69/416941769.db2.gz YJNPFRZODXYIFX-AAEUAGOBSA-N 1 3 313.409 0.441 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624023400 416941775 /nfs/dbraw/zinc/94/17/75/416941775.db2.gz YJNPFRZODXYIFX-AAEUAGOBSA-N 1 3 313.409 0.441 20 0 DCADHO COCCN(C)CC[C@@H](NC(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000520203604 416948393 /nfs/dbraw/zinc/94/83/93/416948393.db2.gz VSLKJYCKDVHMIE-MRXNPFEDSA-N 1 3 320.437 0.967 20 0 DCADHO C[N@@H+]1CC[C@@H](NCC(=O)N2CCNCC2)C[C@H]1c1ccccc1 ZINC000565416140 416978602 /nfs/dbraw/zinc/97/86/02/416978602.db2.gz XSJNMNLTMAFGRQ-SJORKVTESA-N 1 3 316.449 0.843 20 0 DCADHO C[N@H+]1CC[C@@H](NCC(=O)N2CCNCC2)C[C@H]1c1ccccc1 ZINC000565416140 416978609 /nfs/dbraw/zinc/97/86/09/416978609.db2.gz XSJNMNLTMAFGRQ-SJORKVTESA-N 1 3 316.449 0.843 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000565479231 416984078 /nfs/dbraw/zinc/98/40/78/416984078.db2.gz QSAMLXKJSWSHCR-KBPBESRZSA-N 1 3 312.458 0.866 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000447449261 417000648 /nfs/dbraw/zinc/00/06/48/417000648.db2.gz KNWRPDZZUDPUPV-OAHLLOKOSA-N 1 3 323.441 0.170 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785759 417099344 /nfs/dbraw/zinc/09/93/44/417099344.db2.gz HTNKAQCYZGSMBE-LSDHHAIUSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642329782 417044223 /nfs/dbraw/zinc/04/42/23/417044223.db2.gz OVGLZXGHAPOHPI-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000642439505 417052506 /nfs/dbraw/zinc/05/25/06/417052506.db2.gz JWLOFCZGJCWKDS-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000642439495 417052715 /nfs/dbraw/zinc/05/27/15/417052715.db2.gz JKHHSSKZOJAUTM-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000642440191 417054534 /nfs/dbraw/zinc/05/45/34/417054534.db2.gz YFQBOFBBHBFADU-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000642440213 417054812 /nfs/dbraw/zinc/05/48/12/417054812.db2.gz ZKHKDTSFLOZHAP-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000642722814 417080454 /nfs/dbraw/zinc/08/04/54/417080454.db2.gz IJVAHTGRYUBNOC-UONOGXRCSA-N 1 3 312.458 0.323 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000568248749 417110411 /nfs/dbraw/zinc/11/04/11/417110411.db2.gz ZGNAHPXISGDECA-HZPDHXFCSA-N 1 3 308.470 0.790 20 0 DCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)[NH3+])c1 ZINC000642908414 417116886 /nfs/dbraw/zinc/11/68/86/417116886.db2.gz RCEZSBLSFCXOHQ-AWEZNQCLSA-N 1 3 320.437 0.349 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000568270995 417117684 /nfs/dbraw/zinc/11/76/84/417117684.db2.gz NNSACKYBNGCHKD-MELADBBJSA-N 1 3 305.378 0.139 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000637469091 417122462 /nfs/dbraw/zinc/12/24/62/417122462.db2.gz IFGCPDDTDVMRQP-UHFFFAOYSA-N 1 3 313.490 0.700 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000121709303 287351641 /nfs/dbraw/zinc/35/16/41/287351641.db2.gz DPLQCAUNIWVKTR-HIFRSBDPSA-N 1 3 300.447 0.330 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000449318133 417139163 /nfs/dbraw/zinc/13/91/63/417139163.db2.gz FIKRLMFXBADWCS-UONOGXRCSA-N 1 3 320.441 0.492 20 0 DCADHO C[C@H]([NH2+]C1CC1)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000568637637 417161724 /nfs/dbraw/zinc/16/17/24/417161724.db2.gz VUWQTMBAHQEYEZ-LBPRGKRZSA-N 1 3 303.410 0.912 20 0 DCADHO CN(C)CCOc1cccc(C[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000568621071 417156728 /nfs/dbraw/zinc/15/67/28/417156728.db2.gz LXPOTYKGOVXAHM-INIZCTEOSA-N 1 3 318.421 0.974 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC[C@H](O)Cn2cccn2)c1 ZINC000568621071 417156733 /nfs/dbraw/zinc/15/67/33/417156733.db2.gz LXPOTYKGOVXAHM-INIZCTEOSA-N 1 3 318.421 0.974 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000637746292 417173643 /nfs/dbraw/zinc/17/36/43/417173643.db2.gz QJXAJDNQXDLOFY-GJZGRUSLSA-N 1 3 309.458 0.160 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000637806015 417190181 /nfs/dbraw/zinc/19/01/81/417190181.db2.gz SQIZITXFBZSODV-MRXNPFEDSA-N 1 3 304.438 0.562 20 0 DCADHO COC[C@]1(C(=O)NC[C@H](N)c2ccccc2OC)CCCC[NH2+]1 ZINC000637804926 417190389 /nfs/dbraw/zinc/19/03/89/417190389.db2.gz SVRYOBOXZDFAGF-YOEHRIQHSA-N 1 3 321.421 0.970 20 0 DCADHO CN(C)CCn1c2cc(C(=O)NC(C)(C)C[NH3+])ccc2[nH]c1=O ZINC000637830762 417200737 /nfs/dbraw/zinc/20/07/37/417200737.db2.gz FFGDLLLPYBQHFX-UHFFFAOYSA-N 1 3 319.409 0.771 20 0 DCADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@@H]1CC[NH2+]C1 ZINC000627011917 417207866 /nfs/dbraw/zinc/20/78/66/417207866.db2.gz MOJROYCLNLAXHZ-HZPDHXFCSA-N 1 3 318.421 0.414 20 0 DCADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000621107805 417276902 /nfs/dbraw/zinc/27/69/02/417276902.db2.gz MTNYSRVAGPRWPX-IAGOWNOFSA-N 1 3 320.481 0.615 20 0 DCADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CN2CCN1CCC2 ZINC000621107805 417276909 /nfs/dbraw/zinc/27/69/09/417276909.db2.gz MTNYSRVAGPRWPX-IAGOWNOFSA-N 1 3 320.481 0.615 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643513866 417230894 /nfs/dbraw/zinc/23/08/94/417230894.db2.gz ATWCDRWKJGQWIL-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643513923 417230948 /nfs/dbraw/zinc/23/09/48/417230948.db2.gz NVAIKGDUPUMTON-RHSMWYFYSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CCOCC[NH3+] ZINC000627115953 417235827 /nfs/dbraw/zinc/23/58/27/417235827.db2.gz DWQMNMNHDLMXMC-AWEZNQCLSA-N 1 3 300.447 0.724 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627117056 417237181 /nfs/dbraw/zinc/23/71/81/417237181.db2.gz PTCJYAWIAXSJGG-HUUCEWRRSA-N 1 3 322.453 0.824 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000627134992 417244877 /nfs/dbraw/zinc/24/48/77/417244877.db2.gz KURMGLWOSZKHAU-ZIAGYGMSSA-N 1 3 310.442 0.478 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000643591443 417250286 /nfs/dbraw/zinc/25/02/86/417250286.db2.gz MYGRLLAJIJAXSU-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000569455512 417254286 /nfs/dbraw/zinc/25/42/86/417254286.db2.gz LHRQLMMFCWBUOV-GUTXKFCHSA-N 1 3 313.467 0.436 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569458145 417254528 /nfs/dbraw/zinc/25/45/28/417254528.db2.gz OPVJUZZLQBHHAQ-BARDWOONSA-N 1 3 322.453 0.043 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000632963299 417303970 /nfs/dbraw/zinc/30/39/70/417303970.db2.gz XAYNNWAVYPQXGV-GFCCVEGCSA-N 1 3 306.414 0.975 20 0 DCADHO CCN(CCNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1)C1CC1 ZINC000414878109 417312144 /nfs/dbraw/zinc/31/21/44/417312144.db2.gz NJTKCQKOVLYAIH-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000638083485 417316958 /nfs/dbraw/zinc/31/69/58/417316958.db2.gz MUDQKRZDMGQMTL-MRXNPFEDSA-N 1 3 304.438 0.656 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000638083485 417316964 /nfs/dbraw/zinc/31/69/64/417316964.db2.gz MUDQKRZDMGQMTL-MRXNPFEDSA-N 1 3 304.438 0.656 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638084357 417317584 /nfs/dbraw/zinc/31/75/84/417317584.db2.gz KDWMCVPWOHTQKK-HOCLYGCPSA-N 1 3 306.454 0.902 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570160119 417317990 /nfs/dbraw/zinc/31/79/90/417317990.db2.gz XPPWNZHOXVTQKB-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCCNC2)n1 ZINC000415092737 417329942 /nfs/dbraw/zinc/32/99/42/417329942.db2.gz BANIRDBVURQSAL-IHRRRGAJSA-N 1 3 322.432 0.801 20 0 DCADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC[C@@H]2CCC[NH2+]C2)cn1 ZINC000415111230 417333329 /nfs/dbraw/zinc/33/33/29/417333329.db2.gz UEDQNYWHMGVKCT-KBMXLJTQSA-N 1 3 309.433 0.922 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000638238868 417389561 /nfs/dbraw/zinc/38/95/61/417389561.db2.gz CVRADLQQNGRXGL-HNNXBMFYSA-N 1 3 319.453 0.906 20 0 DCADHO COC[C@]1(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCCN1 ZINC000638264552 417394525 /nfs/dbraw/zinc/39/45/25/417394525.db2.gz YFFXWABQOYDOKB-INMHGKMJSA-N 1 3 309.454 0.993 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638265755 417397579 /nfs/dbraw/zinc/39/75/79/417397579.db2.gz FZZARJGSICWONZ-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CN(C)C[C@H](NC(=O)CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000638282067 417405727 /nfs/dbraw/zinc/40/57/27/417405727.db2.gz XQSNDYUTMASQDP-HNNXBMFYSA-N 1 3 324.856 0.964 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638336428 417424883 /nfs/dbraw/zinc/42/48/83/417424883.db2.gz UMDLAVKPDWPGPQ-GJZGRUSLSA-N 1 3 306.454 0.935 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638339477 417427944 /nfs/dbraw/zinc/42/79/44/417427944.db2.gz BFHKCGCMBMFVAQ-DJIMGWMZSA-N 1 3 318.465 0.889 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000638351878 417430228 /nfs/dbraw/zinc/43/02/28/417430228.db2.gz KOHVTFSSYDHHOC-KBXIAJHMSA-N 1 3 307.369 0.585 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000622029660 417372186 /nfs/dbraw/zinc/37/21/86/417372186.db2.gz JRRYNKMVBDNQEH-SUMWQHHRSA-N 1 3 322.453 0.269 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000644164090 417487402 /nfs/dbraw/zinc/48/74/02/417487402.db2.gz SBLRANOHBARNQB-CQSZACIVSA-N 1 3 316.409 0.619 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCCN2CCOC(C)(C)C2)CC1 ZINC000638568225 417490632 /nfs/dbraw/zinc/49/06/32/417490632.db2.gz XMYGNIJQUFVYOS-UHFFFAOYSA-N 1 3 313.486 0.922 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000638385084 417438962 /nfs/dbraw/zinc/43/89/62/417438962.db2.gz BSGHZSQIFOFFBT-LSDHHAIUSA-N 1 3 311.426 0.077 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000638393814 417440823 /nfs/dbraw/zinc/44/08/23/417440823.db2.gz MHOZXQDSCVZKRB-QGZVFWFLSA-N 1 3 318.465 0.952 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000638397858 417442770 /nfs/dbraw/zinc/44/27/70/417442770.db2.gz QSULEDOGPJAWIS-UONOGXRCSA-N 1 3 301.431 0.310 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638429922 417452717 /nfs/dbraw/zinc/45/27/17/417452717.db2.gz JZROIMLWDABQSE-HZPDHXFCSA-N 1 3 306.454 0.935 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000644164089 417485914 /nfs/dbraw/zinc/48/59/14/417485914.db2.gz SBLRANOHBARNQB-AWEZNQCLSA-N 1 3 316.409 0.619 20 0 DCADHO CN(CCOCC[NH3+])C(=O)CC1(N2CCOCC2)CCCC1 ZINC000638675211 417530965 /nfs/dbraw/zinc/53/09/65/417530965.db2.gz PYHVNYFNTDUPPY-UHFFFAOYSA-N 1 3 313.442 0.455 20 0 DCADHO O=C1CCC[C@@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC000634713468 417534266 /nfs/dbraw/zinc/53/42/66/417534266.db2.gz WHCSRFXJCSGACH-FUHWJXTLSA-N 1 3 317.433 0.882 20 0 DCADHO O=C1CCC[C@@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000634713468 417534270 /nfs/dbraw/zinc/53/42/70/417534270.db2.gz WHCSRFXJCSGACH-FUHWJXTLSA-N 1 3 317.433 0.882 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769765 417541028 /nfs/dbraw/zinc/54/10/28/417541028.db2.gz NUDGBAUNSBUXFO-RYRKJORJSA-N 1 3 316.449 0.704 20 0 DCADHO COCCN(C)CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454447613 417561337 /nfs/dbraw/zinc/56/13/37/417561337.db2.gz VSDXUUMAYFHCPN-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530823913 417590779 /nfs/dbraw/zinc/59/07/79/417590779.db2.gz XDNPVYCNUPKNAZ-AEFFLSMTSA-N 1 3 317.433 0.834 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530823913 417590783 /nfs/dbraw/zinc/59/07/83/417590783.db2.gz XDNPVYCNUPKNAZ-AEFFLSMTSA-N 1 3 317.433 0.834 20 0 DCADHO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638986225 417599582 /nfs/dbraw/zinc/59/95/82/417599582.db2.gz XDTJCIDZAPNRSQ-CQSZACIVSA-N 1 3 303.410 0.818 20 0 DCADHO CC(=O)N[C@H]1CCN(CCCCC[N@@H+]2CC[C@H](NC(C)=O)C2)C1 ZINC000575999884 417568616 /nfs/dbraw/zinc/56/86/16/417568616.db2.gz NYTGECVTORPDBF-IRXDYDNUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(=O)N[C@H]1CCN(CCCCC[N@H+]2CC[C@H](NC(C)=O)C2)C1 ZINC000575999884 417568624 /nfs/dbraw/zinc/56/86/24/417568624.db2.gz NYTGECVTORPDBF-IRXDYDNUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000531836874 417644114 /nfs/dbraw/zinc/64/41/14/417644114.db2.gz TUOTWOMQLOKBTE-CVEARBPZSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000531836874 417644119 /nfs/dbraw/zinc/64/41/19/417644119.db2.gz TUOTWOMQLOKBTE-CVEARBPZSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000458091152 417722240 /nfs/dbraw/zinc/72/22/40/417722240.db2.gz MVEDLFSZUUNOBE-KGLIPLIRSA-N 1 3 300.447 0.473 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000662632807 417828698 /nfs/dbraw/zinc/82/86/98/417828698.db2.gz UDSIICIZPCDYDN-MRXNPFEDSA-N 1 3 324.444 0.868 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662637934 417831697 /nfs/dbraw/zinc/83/16/97/417831697.db2.gz MPLVIFWQUOHKSN-MRXNPFEDSA-N 1 3 320.437 0.774 20 0 DCADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662517701 417793046 /nfs/dbraw/zinc/79/30/46/417793046.db2.gz WSOKZEYQZBVTSS-WBVHZDCISA-N 1 3 314.433 0.727 20 0 DCADHO CC(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000662598776 417817880 /nfs/dbraw/zinc/81/78/80/417817880.db2.gz WXKPKBSEHWXFBZ-WCQYABFASA-N 1 3 302.440 0.658 20 0 DCADHO CN(C)CCn1cc(C(=O)NCC2([NH+](C)C)CCOCC2)cn1 ZINC000631308872 417848312 /nfs/dbraw/zinc/84/83/12/417848312.db2.gz YOWRDUDVCBMSQJ-UHFFFAOYSA-N 1 3 323.441 0.285 20 0 DCADHO CCO[C@@H]1CN(C(=O)NCCN2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652128131 417849476 /nfs/dbraw/zinc/84/94/76/417849476.db2.gz PPEPLIVAYPLIHD-HUUCEWRRSA-N 1 3 312.458 0.724 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662699547 417859103 /nfs/dbraw/zinc/85/91/03/417859103.db2.gz CCFCVNSFWGZKJU-KGLIPLIRSA-N 1 3 320.441 0.664 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662703202 417861753 /nfs/dbraw/zinc/86/17/53/417861753.db2.gz QDWRAJOLJQUECW-HOCLYGCPSA-N 1 3 321.421 0.607 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662710826 417866390 /nfs/dbraw/zinc/86/63/90/417866390.db2.gz ZGNMGVMELUKVFT-IAGOWNOFSA-N 1 3 317.433 0.926 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652236967 417869767 /nfs/dbraw/zinc/86/97/67/417869767.db2.gz FMGGSWAVGTWJEH-CQSZACIVSA-N 1 3 311.474 0.441 20 0 DCADHO COC[C@@H](CC1CCOCC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000657845936 417909168 /nfs/dbraw/zinc/90/91/68/417909168.db2.gz MBBXQPSQFOTXIX-HZPDHXFCSA-N 1 3 300.443 0.864 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662753652 417893506 /nfs/dbraw/zinc/89/35/06/417893506.db2.gz UUOBIMYQJYQLQR-LSDHHAIUSA-N 1 3 313.442 0.356 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652399019 417901272 /nfs/dbraw/zinc/90/12/72/417901272.db2.gz MQOGCFUUXPQJEH-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000256 417974444 /nfs/dbraw/zinc/97/44/44/417974444.db2.gz FMAGDQJRVSBHIW-JKSUJKDBSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000256 417974448 /nfs/dbraw/zinc/97/44/48/417974448.db2.gz FMAGDQJRVSBHIW-JKSUJKDBSA-N 1 3 309.454 0.993 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@]2(COC)CCC[NH2+]2)C1(C)C ZINC000647042061 417976608 /nfs/dbraw/zinc/97/66/08/417976608.db2.gz JUJRCLATVQVYAQ-UHOFOFEASA-N 1 3 313.442 0.404 20 0 DCADHO COC[C@@H](CC1CCOCC1)[NH2+]CC1(O)CCN(C)CC1 ZINC000657886125 417915593 /nfs/dbraw/zinc/91/55/93/417915593.db2.gz IBNIKQPYTMQGQX-OAHLLOKOSA-N 1 3 300.443 0.864 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662841875 417923620 /nfs/dbraw/zinc/92/36/20/417923620.db2.gz MLMLGWCNRNNJHQ-ZBFHGGJFSA-N 1 3 324.469 0.324 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000636441889 417946721 /nfs/dbraw/zinc/94/67/21/417946721.db2.gz WQKIOUBXNYGGSM-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000652700263 417947276 /nfs/dbraw/zinc/94/72/76/417947276.db2.gz ODWOSCJYHNHNDD-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000662915105 417948728 /nfs/dbraw/zinc/94/87/28/417948728.db2.gz JKHGGLFAOKUMLS-QWHCGFSZSA-N 1 3 317.380 0.601 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000652710703 417952006 /nfs/dbraw/zinc/95/20/06/417952006.db2.gz YZVBCAITJBGVMX-AWEZNQCLSA-N 1 3 322.453 0.318 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725635 417956639 /nfs/dbraw/zinc/95/66/39/417956639.db2.gz OPPTWRHCBNHSFA-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725636 417957323 /nfs/dbraw/zinc/95/73/23/417957323.db2.gz OPPTWRHCBNHSFA-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)C2(N)CCCCC2)CC1 ZINC000662940375 417959052 /nfs/dbraw/zinc/95/90/52/417959052.db2.gz MXMUPWKJEGFWHP-UHFFFAOYSA-N 1 3 324.469 0.755 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641091833 417969326 /nfs/dbraw/zinc/96/93/26/417969326.db2.gz RYCIQHYDEOQUMB-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)CCO1 ZINC000662973535 417969432 /nfs/dbraw/zinc/96/94/32/417969432.db2.gz RDKHSROBLNLKSO-ZIAGYGMSSA-N 1 3 315.483 0.651 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641091835 417969979 /nfs/dbraw/zinc/96/99/79/417969979.db2.gz RYCIQHYDEOQUMB-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653149912 418037755 /nfs/dbraw/zinc/03/77/55/418037755.db2.gz LDQPWPIHOKLJMX-HNNXBMFYSA-N 1 3 307.442 0.251 20 0 DCADHO C[NH+](C)CC[C@@H](N)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000653152449 418038500 /nfs/dbraw/zinc/03/85/00/418038500.db2.gz NMQDUBQQKSRRIS-MRXNPFEDSA-N 1 3 319.453 0.693 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CC[NH2+]C1 ZINC000659514879 418109595 /nfs/dbraw/zinc/10/95/95/418109595.db2.gz FZRBLUZFYRDIJS-INIZCTEOSA-N 1 3 317.437 0.955 20 0 DCADHO C[NH2+]CCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659515382 418109652 /nfs/dbraw/zinc/10/96/52/418109652.db2.gz SYNWWUWTMYAZGU-OAHLLOKOSA-N 1 3 306.410 0.272 20 0 DCADHO CC(C)([NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659519666 418110466 /nfs/dbraw/zinc/11/04/66/418110466.db2.gz BMQIUTDPEWYEIM-OAHLLOKOSA-N 1 3 320.437 0.790 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659538769 418113908 /nfs/dbraw/zinc/11/39/08/418113908.db2.gz MFILBAQJKRDMAF-INIZCTEOSA-N 1 3 322.453 0.849 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC000648177873 418114699 /nfs/dbraw/zinc/11/46/99/418114699.db2.gz YVKYFHDMWQNKJX-KWCYVHTRSA-N 1 3 306.414 0.241 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC000648177873 418114702 /nfs/dbraw/zinc/11/47/02/418114702.db2.gz YVKYFHDMWQNKJX-KWCYVHTRSA-N 1 3 306.414 0.241 20 0 DCADHO CNS(=O)(=O)[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647885845 418069879 /nfs/dbraw/zinc/06/98/79/418069879.db2.gz XHWZDWZVNJWLFT-CQSZACIVSA-N 1 3 303.472 0.780 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000647964633 418080318 /nfs/dbraw/zinc/08/03/18/418080318.db2.gz RYOHRCHWMWNRSJ-KRWDZBQOSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000647964633 418080319 /nfs/dbraw/zinc/08/03/19/418080319.db2.gz RYOHRCHWMWNRSJ-KRWDZBQOSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659424209 418095613 /nfs/dbraw/zinc/09/56/13/418095613.db2.gz AGAWGYCOWUGNLF-UHFFFAOYSA-N 1 3 322.413 0.313 20 0 DCADHO CC[NH+](CC)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659425788 418095844 /nfs/dbraw/zinc/09/58/44/418095844.db2.gz PZDONNDWJGUQSS-UHFFFAOYSA-N 1 3 310.402 0.172 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659451086 418098904 /nfs/dbraw/zinc/09/89/04/418098904.db2.gz AIMNDKHDIWVKNH-ILXRZTDVSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000664224771 418100194 /nfs/dbraw/zinc/10/01/94/418100194.db2.gz UXGYTDWCLBVDSZ-KKUMJFAQSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000664224771 418100197 /nfs/dbraw/zinc/10/01/97/418100197.db2.gz UXGYTDWCLBVDSZ-KKUMJFAQSA-N 1 3 314.474 0.983 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000659490682 418104557 /nfs/dbraw/zinc/10/45/57/418104557.db2.gz CKHJOFCZXDYOFS-CQSZACIVSA-N 1 3 313.490 0.685 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659509180 418108049 /nfs/dbraw/zinc/10/80/49/418108049.db2.gz XUTFDVYINYWRSK-CABCVRRESA-N 1 3 310.442 0.681 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659609140 418125500 /nfs/dbraw/zinc/12/55/00/418125500.db2.gz SYLTXPIXJKCMKO-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380872 418137985 /nfs/dbraw/zinc/13/79/85/418137985.db2.gz IINAZOHSLKYTCG-ZQDZILKHSA-N 1 3 308.426 0.074 20 0 DCADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380872 418137990 /nfs/dbraw/zinc/13/79/90/418137990.db2.gz IINAZOHSLKYTCG-ZQDZILKHSA-N 1 3 308.426 0.074 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C[NH+]1CCCCC1 ZINC000654395050 418139565 /nfs/dbraw/zinc/13/95/65/418139565.db2.gz UAFONWSERUDQCE-OWCLPIDISA-N 1 3 324.469 0.569 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000654708678 418179204 /nfs/dbraw/zinc/17/92/04/418179204.db2.gz HIMPMLZCNCULKX-OAHLLOKOSA-N 1 3 322.453 0.095 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000654708678 418179208 /nfs/dbraw/zinc/17/92/08/418179208.db2.gz HIMPMLZCNCULKX-OAHLLOKOSA-N 1 3 322.453 0.095 20 0 DCADHO CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664729292 418148742 /nfs/dbraw/zinc/14/87/42/418148742.db2.gz YWZNIZZIRPLRTH-IHRRRGAJSA-N 1 3 302.463 0.981 20 0 DCADHO CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664729292 418148744 /nfs/dbraw/zinc/14/87/44/418148744.db2.gz YWZNIZZIRPLRTH-IHRRRGAJSA-N 1 3 302.463 0.981 20 0 DCADHO C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000654482661 418151404 /nfs/dbraw/zinc/15/14/04/418151404.db2.gz UUMCSKLPWFCGOY-MELADBBJSA-N 1 3 312.458 0.423 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654486849 418151769 /nfs/dbraw/zinc/15/17/69/418151769.db2.gz XKOHCPCPWDZRQW-OWCLPIDISA-N 1 3 324.469 0.425 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654486849 418151772 /nfs/dbraw/zinc/15/17/72/418151772.db2.gz XKOHCPCPWDZRQW-OWCLPIDISA-N 1 3 324.469 0.425 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@@H+]1C ZINC000648768719 418153985 /nfs/dbraw/zinc/15/39/85/418153985.db2.gz PSGFMODYLORDPK-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[N@H+]1C ZINC000648768719 418153988 /nfs/dbraw/zinc/15/39/88/418153988.db2.gz PSGFMODYLORDPK-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1=CC[N@H+](C)CC1 ZINC000654524026 418156157 /nfs/dbraw/zinc/15/61/57/418156157.db2.gz QFIDGNIEDPZVMA-AEGPPILISA-N 1 3 308.426 0.097 20 0 DCADHO C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000654524026 418156159 /nfs/dbraw/zinc/15/61/59/418156159.db2.gz QFIDGNIEDPZVMA-AEGPPILISA-N 1 3 308.426 0.097 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659724092 418163709 /nfs/dbraw/zinc/16/37/09/418163709.db2.gz TXPAGBHWPRCEOU-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H]1[C@H](C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CC[N@@H+]1C ZINC000648840426 418164358 /nfs/dbraw/zinc/16/43/58/418164358.db2.gz PBVIGUIWULAXSF-TZMCWYRMSA-N 1 3 306.410 0.689 20 0 DCADHO C[C@@H]1[C@H](C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CC[N@H+]1C ZINC000648840426 418164360 /nfs/dbraw/zinc/16/43/60/418164360.db2.gz PBVIGUIWULAXSF-TZMCWYRMSA-N 1 3 306.410 0.689 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659736013 418169613 /nfs/dbraw/zinc/16/96/13/418169613.db2.gz YQFOLNFGNKNOOU-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659737785 418170876 /nfs/dbraw/zinc/17/08/76/418170876.db2.gz VPJXJAUHELELEY-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000659739049 418171212 /nfs/dbraw/zinc/17/12/12/418171212.db2.gz MAQMZLNMZVXSHE-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000659740671 418172594 /nfs/dbraw/zinc/17/25/94/418172594.db2.gz DQYMOAHKEYKINM-HZSPNIEDSA-N 1 3 312.458 0.417 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000659741537 418173124 /nfs/dbraw/zinc/17/31/24/418173124.db2.gz ODBQLSRULZXPJV-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)c2ccccc2O1 ZINC000649347233 418245595 /nfs/dbraw/zinc/24/55/95/418245595.db2.gz MIDUZRHSQSWNLR-CQSZACIVSA-N 1 3 319.405 0.721 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000654775548 418187325 /nfs/dbraw/zinc/18/73/25/418187325.db2.gz OTIDFGOWTQGFBL-HUUCEWRRSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000654775548 418187327 /nfs/dbraw/zinc/18/73/27/418187327.db2.gz OTIDFGOWTQGFBL-HUUCEWRRSA-N 1 3 308.470 0.613 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CCN(C)C)n2)C1 ZINC000654846384 418194030 /nfs/dbraw/zinc/19/40/30/418194030.db2.gz DVPOAEQTHRPVSB-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CCN(C)C)n2)C1 ZINC000654846384 418194033 /nfs/dbraw/zinc/19/40/33/418194033.db2.gz DVPOAEQTHRPVSB-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO CCCN1CC[C@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000660826573 418292226 /nfs/dbraw/zinc/29/22/26/418292226.db2.gz CJLWMOWMJDHDJJ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCCN1CC[C@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000660826573 418292229 /nfs/dbraw/zinc/29/22/29/418292229.db2.gz CJLWMOWMJDHDJJ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656019197 418317414 /nfs/dbraw/zinc/31/74/14/418317414.db2.gz CDXRCKIGOKYHKU-CABCVRRESA-N 1 3 322.453 0.235 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656020385 418317786 /nfs/dbraw/zinc/31/77/86/418317786.db2.gz RBFKTYLANPWBTH-GJZGRUSLSA-N 1 3 322.453 0.378 20 0 DCADHO CN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000656028248 418321139 /nfs/dbraw/zinc/32/11/39/418321139.db2.gz JKCIHPSPABKTEH-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656029387 418322165 /nfs/dbraw/zinc/32/21/65/418322165.db2.gz ZFUXMIMCJVGXEH-RRFJBIMHSA-N 1 3 322.453 0.187 20 0 DCADHO COc1cnccc1N1CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660452607 418261104 /nfs/dbraw/zinc/26/11/04/418261104.db2.gz AATQPGZUODDRLG-HNNXBMFYSA-N 1 3 322.453 0.913 20 0 DCADHO COc1cnccc1N1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660452607 418261105 /nfs/dbraw/zinc/26/11/05/418261105.db2.gz AATQPGZUODDRLG-HNNXBMFYSA-N 1 3 322.453 0.913 20 0 DCADHO C[NH2+][C@@H](C)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000655445501 418262283 /nfs/dbraw/zinc/26/22/83/418262283.db2.gz ZWLWIFVPMOBEER-LBPRGKRZSA-N 1 3 309.410 0.860 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000660589445 418273475 /nfs/dbraw/zinc/27/34/75/418273475.db2.gz JBHQODSDZGCRNA-RDJZCZTQSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000660589445 418273477 /nfs/dbraw/zinc/27/34/77/418273477.db2.gz JBHQODSDZGCRNA-RDJZCZTQSA-N 1 3 313.486 0.873 20 0 DCADHO CCC(C)(C)[NH+]1CCN(C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000656193543 418335003 /nfs/dbraw/zinc/33/50/03/418335003.db2.gz MFCFYKYKAXZIRE-OAHLLOKOSA-N 1 3 310.486 0.990 20 0 DCADHO [NH3+][C@@H](CO)Cc1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656456196 418355909 /nfs/dbraw/zinc/35/59/09/418355909.db2.gz TXLQXDCRGAEVDR-GDBMZVCRSA-N 1 3 301.394 0.587 20 0 DCADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661987461 418374692 /nfs/dbraw/zinc/37/46/92/418374692.db2.gz QVJLTPMYXGPCLD-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661987461 418374694 /nfs/dbraw/zinc/37/46/94/418374694.db2.gz QVJLTPMYXGPCLD-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295697 418399104 /nfs/dbraw/zinc/39/91/04/418399104.db2.gz HVXAPUXIADMDRU-AWEZNQCLSA-N 1 3 303.472 0.637 20 0 DCADHO O=C(C[C@H]1NCc2ccccc21)NCCCN1CC[NH2+]CC1 ZINC000662390391 418406377 /nfs/dbraw/zinc/40/63/77/418406377.db2.gz JIKPFOFFMAWVOZ-MRXNPFEDSA-N 1 3 302.422 0.633 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662441417 418409872 /nfs/dbraw/zinc/40/98/72/418409872.db2.gz HIRRYIAVBUJYAJ-QWHCGFSZSA-N 1 3 321.425 0.327 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662386598 418405828 /nfs/dbraw/zinc/40/58/28/418405828.db2.gz CYUDGKFJPBAZKM-CYBMUJFWSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662386742 418405853 /nfs/dbraw/zinc/40/58/53/418405853.db2.gz GMRZYXPMOYHLPP-OLZOCXBDSA-N 1 3 305.426 0.948 20 0 DCADHO CC(C)[C@H](CNC(=O)NCCOCCN(C)C)[NH+]1CCCC1 ZINC000471648477 287519372 /nfs/dbraw/zinc/51/93/72/287519372.db2.gz VEIYJKFDKYUEBZ-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000195143079 261150881 /nfs/dbraw/zinc/15/08/81/261150881.db2.gz GLARKODEPBKFCL-CQSZACIVSA-N 1 3 324.469 0.881 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000195143079 261150883 /nfs/dbraw/zinc/15/08/83/261150883.db2.gz GLARKODEPBKFCL-CQSZACIVSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000237017166 261157075 /nfs/dbraw/zinc/15/70/75/261157075.db2.gz FSKUGYNLEPVGTK-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000354691529 261260820 /nfs/dbraw/zinc/26/08/20/261260820.db2.gz VOMYYINIGCQBAZ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000362903928 262084913 /nfs/dbraw/zinc/08/49/13/262084913.db2.gz AVVVVIRJOXUJTN-PMPSAXMXSA-N 1 3 324.469 0.975 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362970823 262090678 /nfs/dbraw/zinc/09/06/78/262090678.db2.gz OKLPGEBWQRCHIF-QKPAOTATSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000362970823 262090680 /nfs/dbraw/zinc/09/06/80/262090680.db2.gz OKLPGEBWQRCHIF-QKPAOTATSA-N 1 3 322.453 0.776 20 0 DCADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363183207 262104478 /nfs/dbraw/zinc/10/44/78/262104478.db2.gz PYYBYXSDDAUHCN-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)NC1CC[NH+](CC)CC1 ZINC000411529909 262173295 /nfs/dbraw/zinc/17/32/95/262173295.db2.gz IPOBSSJCFPDBRS-QWHCGFSZSA-N 1 3 313.442 0.764 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417291340 262249587 /nfs/dbraw/zinc/24/95/87/262249587.db2.gz AMAOINAETILNAY-HNNXBMFYSA-N 1 3 312.458 0.914 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417529207 262254627 /nfs/dbraw/zinc/25/46/27/262254627.db2.gz QKQOTIMBQALBJS-CYBMUJFWSA-N 1 3 308.426 0.816 20 0 DCADHO CCCCN(C)CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417605142 262256522 /nfs/dbraw/zinc/25/65/22/262256522.db2.gz ANAXEXCCFLWSAZ-OAHLLOKOSA-N 1 3 311.474 0.407 20 0 DCADHO CCCCN(C)CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417605141 262256538 /nfs/dbraw/zinc/25/65/38/262256538.db2.gz ANAXEXCCFLWSAZ-HNNXBMFYSA-N 1 3 311.474 0.407 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000417748933 262260137 /nfs/dbraw/zinc/26/01/37/262260137.db2.gz IXXWXDUSNSGRLE-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417752455 262260619 /nfs/dbraw/zinc/26/06/19/262260619.db2.gz MTLCCGNYPDDVNC-ZIAGYGMSSA-N 1 3 300.447 0.771 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417757259 262260626 /nfs/dbraw/zinc/26/06/26/262260626.db2.gz SZBSZYZXCGKVFR-ZIAGYGMSSA-N 1 3 300.447 0.642 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418115046 262270787 /nfs/dbraw/zinc/27/07/87/262270787.db2.gz NFSTYGSTDIKRJL-ZIAGYGMSSA-N 1 3 300.447 0.785 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418408532 262276413 /nfs/dbraw/zinc/27/64/13/262276413.db2.gz UNZORLCNVISOPI-CQSZACIVSA-N 1 3 311.474 0.439 20 0 DCADHO CC(C)([NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418414070 262276904 /nfs/dbraw/zinc/27/69/04/262276904.db2.gz KRQTWNNXVDLIFO-UHFFFAOYSA-N 1 3 313.446 0.015 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000418428818 262278147 /nfs/dbraw/zinc/27/81/47/262278147.db2.gz QZYHYJIAPPLFSU-GJZGRUSLSA-N 1 3 313.490 0.685 20 0 DCADHO COCCNCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000418515105 262280301 /nfs/dbraw/zinc/28/03/01/262280301.db2.gz XPGDMGJGGYGWSJ-CQSZACIVSA-N 1 3 312.458 0.642 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418522529 262281015 /nfs/dbraw/zinc/28/10/15/262281015.db2.gz JJRANHNGFQENDB-CYBMUJFWSA-N 1 3 313.446 0.015 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418570398 262282528 /nfs/dbraw/zinc/28/25/28/262282528.db2.gz QNJGZFDRCVJNPS-BBRMVZONSA-N 1 3 306.410 0.270 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CN)CCCC1 ZINC000418826107 262291374 /nfs/dbraw/zinc/29/13/74/262291374.db2.gz CFUZZPFGUXCQHJ-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[NH2+]1 ZINC000418846370 262292561 /nfs/dbraw/zinc/29/25/61/262292561.db2.gz XVHHXHVPPPAXCG-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[NH2+]C)C1 ZINC000418862086 262293818 /nfs/dbraw/zinc/29/38/18/262293818.db2.gz HJWXGJVXEYAJKB-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418920236 262298264 /nfs/dbraw/zinc/29/82/64/262298264.db2.gz BIQBNPSGOFZWEP-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000418922020 262298751 /nfs/dbraw/zinc/29/87/51/262298751.db2.gz DDPGHUOOGOROAN-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419073304 262306746 /nfs/dbraw/zinc/30/67/46/262306746.db2.gz CIFGCCUWXNNQAO-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419081787 262307982 /nfs/dbraw/zinc/30/79/82/262307982.db2.gz SDUZHWYROCIDJF-RBSFLKMASA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419085397 262307985 /nfs/dbraw/zinc/30/79/85/262307985.db2.gz ZSKXUBZABNHUTA-NRXISQOPSA-N 1 3 324.469 0.753 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)CC1 ZINC000419119366 262310647 /nfs/dbraw/zinc/31/06/47/262310647.db2.gz JPAZNRBSNSUNOW-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419126280 262310795 /nfs/dbraw/zinc/31/07/95/262310795.db2.gz WHCQTZGAQMUJTA-RHSMWYFYSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419124960 262310920 /nfs/dbraw/zinc/31/09/20/262310920.db2.gz RYNDIDAANGMDRG-KFWWJZLASA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419125448 262311117 /nfs/dbraw/zinc/31/11/17/262311117.db2.gz TYSSDECHGNIGSB-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419130134 262312154 /nfs/dbraw/zinc/31/21/54/262312154.db2.gz ARASTCISDPAIRT-HIFRSBDPSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419130134 262312156 /nfs/dbraw/zinc/31/21/56/262312156.db2.gz ARASTCISDPAIRT-HIFRSBDPSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000419160357 262314712 /nfs/dbraw/zinc/31/47/12/262314712.db2.gz ZADLDNOVWFKYQC-ZDUSSCGKSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N1CCC(C)CC1 ZINC000419163309 262315234 /nfs/dbraw/zinc/31/52/34/262315234.db2.gz WFEKSDCWWOHZPD-AWEZNQCLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000419198204 262318620 /nfs/dbraw/zinc/31/86/20/262318620.db2.gz KONCVXWWZHUDSX-KBPBESRZSA-N 1 3 320.437 0.477 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000419198204 262318621 /nfs/dbraw/zinc/31/86/21/262318621.db2.gz KONCVXWWZHUDSX-KBPBESRZSA-N 1 3 320.437 0.477 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000419234737 262321949 /nfs/dbraw/zinc/32/19/49/262321949.db2.gz IIKCZEOZELVBBT-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+]CCCCNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419233837 262322132 /nfs/dbraw/zinc/32/21/32/262322132.db2.gz WRPAYUBDBLGPDC-CQSZACIVSA-N 1 3 310.442 0.222 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419336683 262326039 /nfs/dbraw/zinc/32/60/39/262326039.db2.gz PXSPCNHDCRITNA-KCPJHIHWSA-N 1 3 322.453 0.219 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419418650 262331963 /nfs/dbraw/zinc/33/19/63/262331963.db2.gz IPXVDBSBIWZKNB-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419419056 262332561 /nfs/dbraw/zinc/33/25/61/262332561.db2.gz YTOZCSOOIKBVEZ-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCCNCC1 ZINC000419478821 262334028 /nfs/dbraw/zinc/33/40/28/262334028.db2.gz KFQZIZVLQICTRC-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCCNCC1 ZINC000419478821 262334029 /nfs/dbraw/zinc/33/40/29/262334029.db2.gz KFQZIZVLQICTRC-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419590849 262339256 /nfs/dbraw/zinc/33/92/56/262339256.db2.gz QPNNZRFDTTZLBK-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N(C)C1CC1 ZINC000419593004 262339388 /nfs/dbraw/zinc/33/93/88/262339388.db2.gz SKSULWVAHBIXNX-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419596361 262339703 /nfs/dbraw/zinc/33/97/03/262339703.db2.gz XZFOLVQMJPXQBB-RBSFLKMASA-N 1 3 324.469 0.705 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419596442 262340057 /nfs/dbraw/zinc/34/00/57/262340057.db2.gz YNBMSTYGJAOFTL-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)C1 ZINC000419690749 262345393 /nfs/dbraw/zinc/34/53/93/262345393.db2.gz DUSXKHUPGCYYAQ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000419694262 262346299 /nfs/dbraw/zinc/34/62/99/262346299.db2.gz KDAWUWAKGPIZKY-AWEZNQCLSA-N 1 3 322.453 0.317 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419694291 262346305 /nfs/dbraw/zinc/34/63/05/262346305.db2.gz KGPVMFDCGIOHAN-CQSZACIVSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419701237 262347760 /nfs/dbraw/zinc/34/77/60/262347760.db2.gz YWJQJAISZRIYQX-SUMWQHHRSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419929996 262353190 /nfs/dbraw/zinc/35/31/90/262353190.db2.gz NQLAWKQQKOLNTN-CABCVRRESA-N 1 3 318.421 0.355 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420096039 262360683 /nfs/dbraw/zinc/36/06/83/262360683.db2.gz KEYKKXCJVRPUPA-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[NH2+][C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000420268316 262368136 /nfs/dbraw/zinc/36/81/36/262368136.db2.gz GPDSBJUZXKIAGF-CVEARBPZSA-N 1 3 304.438 0.699 20 0 DCADHO N[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCC1 ZINC000422542098 262417278 /nfs/dbraw/zinc/41/72/78/262417278.db2.gz POUJXSFLBQQFHN-WDEREUQCSA-N 1 3 308.348 0.066 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000423723749 262456789 /nfs/dbraw/zinc/45/67/89/262456789.db2.gz MBNXMQNKGGPRFW-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)[C@H]1CN2CCN1CCC2)C(C)C ZINC000357056628 271039591 /nfs/dbraw/zinc/03/95/91/271039591.db2.gz YEXLRSSKWIUNBR-MRXNPFEDSA-N 1 3 310.486 0.954 20 0 DCADHO NC[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000357274676 271047861 /nfs/dbraw/zinc/04/78/61/271047861.db2.gz YLVNRNRXFMHBCW-HOTGVXAUSA-N 1 3 320.412 0.374 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359224163 271106969 /nfs/dbraw/zinc/10/69/69/271106969.db2.gz RJADQLGSDUWGIN-CQSZACIVSA-N 1 3 308.470 0.661 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000363481636 271195533 /nfs/dbraw/zinc/19/55/33/271195533.db2.gz UDTXNFIZSGOIRJ-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000418722277 271251895 /nfs/dbraw/zinc/25/18/95/271251895.db2.gz MQTQISRCDKHAON-ZNMIVQPWSA-N 1 3 312.458 0.650 20 0 DCADHO CN1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418845417 271258418 /nfs/dbraw/zinc/25/84/18/271258418.db2.gz VKKABAKJZBVEMB-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO CN(CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418991546 271264193 /nfs/dbraw/zinc/26/41/93/271264193.db2.gz DXGGDUVFCLRTSP-OAHLLOKOSA-N 1 3 318.421 0.103 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419025106 271265298 /nfs/dbraw/zinc/26/52/98/271265298.db2.gz LSVKWJWBNGRZAT-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419030147 271267997 /nfs/dbraw/zinc/26/79/97/271267997.db2.gz SPHWLLMKMUCJIM-MGPQQGTHSA-N 1 3 324.469 0.337 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419403875 271289037 /nfs/dbraw/zinc/28/90/37/271289037.db2.gz FNCPRKNWTJEHME-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1CC1 ZINC000419521586 271295885 /nfs/dbraw/zinc/29/58/85/271295885.db2.gz KLKAGHWNSQMMQW-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419529959 271298833 /nfs/dbraw/zinc/29/88/33/271298833.db2.gz YIQDQGMWTHJVNV-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000419652064 271314635 /nfs/dbraw/zinc/31/46/35/271314635.db2.gz WYIZNAQWCHWBJZ-OAHLLOKOSA-N 1 3 318.421 0.314 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419667281 271319037 /nfs/dbraw/zinc/31/90/37/271319037.db2.gz BNPKKNQHOUEEJP-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCCC[C@@H]1CN)C[NH+]1CCCC1 ZINC000419667438 271319291 /nfs/dbraw/zinc/31/92/91/271319291.db2.gz SBZGYZNEWSVPTI-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419706289 271323088 /nfs/dbraw/zinc/32/30/88/271323088.db2.gz CQBSSYMTNGLMEI-CYBMUJFWSA-N 1 3 320.437 0.213 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419858372 271333306 /nfs/dbraw/zinc/33/33/06/271333306.db2.gz LPNBVRJNAIHZDA-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420008710 271350635 /nfs/dbraw/zinc/35/06/35/271350635.db2.gz BWNFXRYJYKPYDW-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422827225 271386930 /nfs/dbraw/zinc/38/69/30/271386930.db2.gz MTUQZXDXEIQICU-HUUCEWRRSA-N 1 3 306.458 0.704 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NCCCN1CCN(c2ncccn2)CC1 ZINC000422827225 271386934 /nfs/dbraw/zinc/38/69/34/271386934.db2.gz MTUQZXDXEIQICU-HUUCEWRRSA-N 1 3 306.458 0.704 20 0 DCADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@@H](C)C1)[NH+](C)C ZINC000458707421 271969747 /nfs/dbraw/zinc/96/97/47/271969747.db2.gz AMYBUQMOKAIFCY-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000460085685 272025411 /nfs/dbraw/zinc/02/54/11/272025411.db2.gz ZDRQDSYWKRUMKG-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000460085685 272025414 /nfs/dbraw/zinc/02/54/14/272025414.db2.gz ZDRQDSYWKRUMKG-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471656328 272028221 /nfs/dbraw/zinc/02/82/21/272028221.db2.gz BMCYZIUKKPUSGP-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000471659380 272028820 /nfs/dbraw/zinc/02/88/20/272028820.db2.gz QGIQJUDAZYLRLF-CABCVRRESA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000471659380 272028823 /nfs/dbraw/zinc/02/88/23/272028823.db2.gz QGIQJUDAZYLRLF-CABCVRRESA-N 1 3 312.458 0.690 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489756558 272067200 /nfs/dbraw/zinc/06/72/00/272067200.db2.gz LBKFUQYRYLUUBG-UONOGXRCSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C)C/C=C\C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000491852001 272107063 /nfs/dbraw/zinc/10/70/63/272107063.db2.gz SAONOUJHQMVDAA-IOBAAEILSA-N 1 3 308.470 0.733 20 0 DCADHO CN(C)C/C=C\C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000491852001 272107065 /nfs/dbraw/zinc/10/70/65/272107065.db2.gz SAONOUJHQMVDAA-IOBAAEILSA-N 1 3 308.470 0.733 20 0 DCADHO CN(C(=O)/C=C\C[NH+](C)C)C1CCN(CCn2cccn2)CC1 ZINC000491866178 272108350 /nfs/dbraw/zinc/10/83/50/272108350.db2.gz IVHQQGDLLXGLIG-XQRVVYSFSA-N 1 3 319.453 0.924 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347976237 276306133 /nfs/dbraw/zinc/30/61/33/276306133.db2.gz YUHMJNQEZWVHSI-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347976237 276306135 /nfs/dbraw/zinc/30/61/35/276306135.db2.gz YUHMJNQEZWVHSI-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1ccccc1 ZINC000333599174 277167821 /nfs/dbraw/zinc/16/78/21/277167821.db2.gz PJMKGWTVZWRLLR-NPJQDHAYSA-N 1 3 300.406 0.949 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000339963228 279190669 /nfs/dbraw/zinc/19/06/69/279190669.db2.gz QJPWCKJZTOHWBI-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000339963228 279190672 /nfs/dbraw/zinc/19/06/72/279190672.db2.gz QJPWCKJZTOHWBI-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364041560 279306465 /nfs/dbraw/zinc/30/64/65/279306465.db2.gz XSYWJCMBHQXGRZ-KFWWJZLASA-N 1 3 309.458 0.448 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000346527041 279307951 /nfs/dbraw/zinc/30/79/51/279307951.db2.gz JVDLGPFDBRMUSC-CFVMTHIKSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000346527041 279307954 /nfs/dbraw/zinc/30/79/54/279307954.db2.gz JVDLGPFDBRMUSC-CFVMTHIKSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCN([C@H]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)CC1 ZINC000336866198 279372440 /nfs/dbraw/zinc/37/24/40/279372440.db2.gz ODVTWFBTJCCGFH-IRXDYDNUSA-N 1 3 310.486 0.153 20 0 DCADHO CCN1CCN([C@H]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)CC1 ZINC000336866198 279372441 /nfs/dbraw/zinc/37/24/41/279372441.db2.gz ODVTWFBTJCCGFH-IRXDYDNUSA-N 1 3 310.486 0.153 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000353509576 280071542 /nfs/dbraw/zinc/07/15/42/280071542.db2.gz HSQZYYAOSHFLGH-OAGGEKHMSA-N 1 3 310.486 0.620 20 0 DCADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000236943602 280116408 /nfs/dbraw/zinc/11/64/08/280116408.db2.gz ARXOVCMKVTUCLQ-UKRRQHHQSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000251292199 280282555 /nfs/dbraw/zinc/28/25/55/280282555.db2.gz GKKXOZRGVMSMNP-ZIAGYGMSSA-N 1 3 305.488 0.963 20 0 DCADHO CCCN1CC[C@@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553325128 288294659 /nfs/dbraw/zinc/29/46/59/288294659.db2.gz AWPRKJXGBVWJIR-FUJMWEONSA-N 1 3 308.426 0.829 20 0 DCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333667768 288327326 /nfs/dbraw/zinc/32/73/26/288327326.db2.gz MORIUUIUWSZYCK-QRNKSROTSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333667768 288327328 /nfs/dbraw/zinc/32/73/28/288327328.db2.gz MORIUUIUWSZYCK-QRNKSROTSA-N 1 3 323.485 0.595 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000556726031 288387868 /nfs/dbraw/zinc/38/78/68/288387868.db2.gz XQOCBMWCFHEFNU-IRXDYDNUSA-N 1 3 317.433 0.821 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000556726031 288387869 /nfs/dbraw/zinc/38/78/69/288387869.db2.gz XQOCBMWCFHEFNU-IRXDYDNUSA-N 1 3 317.433 0.821 20 0 DCADHO COC[C@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[NH2+]C1 ZINC000564430840 288742736 /nfs/dbraw/zinc/74/27/36/288742736.db2.gz LBQZUTIHWRSLCG-UXLLHSPISA-N 1 3 303.406 0.566 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420068840 289148850 /nfs/dbraw/zinc/14/88/50/289148850.db2.gz VHVBXLOQPRLATP-AWEZNQCLSA-N 1 3 322.409 0.023 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419971036 289648747 /nfs/dbraw/zinc/64/87/47/289648747.db2.gz VWHCHICIODOKCM-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000234826733 293043555 /nfs/dbraw/zinc/04/35/55/293043555.db2.gz BWUHSIASULRJCJ-CAOSSQGBSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000234826733 293043557 /nfs/dbraw/zinc/04/35/57/293043557.db2.gz BWUHSIASULRJCJ-CAOSSQGBSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000234826733 293043558 /nfs/dbraw/zinc/04/35/58/293043558.db2.gz BWUHSIASULRJCJ-CAOSSQGBSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000234826733 293043559 /nfs/dbraw/zinc/04/35/59/293043559.db2.gz BWUHSIASULRJCJ-CAOSSQGBSA-N 1 3 300.443 0.815 20 0 DCADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333853365 298659471 /nfs/dbraw/zinc/65/94/71/298659471.db2.gz XTGVKWJNTZVIRD-RBSFLKMASA-N 1 3 324.469 0.737 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@@H]1[NH3+] ZINC000584166878 331849801 /nfs/dbraw/zinc/84/98/01/331849801.db2.gz MJMRGOMHMCIWCU-ILXRZTDVSA-N 1 3 322.453 0.269 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H]1c1ccccc1F ZINC000582964263 337219843 /nfs/dbraw/zinc/21/98/43/337219843.db2.gz XWBPYHMPGHAWNZ-OSAQELSMSA-N 1 3 307.369 0.457 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000583254209 337289886 /nfs/dbraw/zinc/28/98/86/337289886.db2.gz ZYGPEUSGXNQAJE-AWEZNQCLSA-N 1 3 307.442 0.397 20 0 DCADHO CSC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000576391194 341843726 /nfs/dbraw/zinc/84/37/26/341843726.db2.gz PTAHTSUFAQMTMK-CQSZACIVSA-N 1 3 317.499 0.097 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C(C)C)[C@@H]1CCN(C)C1=O ZINC001566576257 1159833538 /nfs/dbraw/zinc/83/35/38/1159833538.db2.gz IMXIAWWGABHRDY-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C(C)C)[C@@H]1CCN(C)C1=O ZINC001566576257 1159833549 /nfs/dbraw/zinc/83/35/49/1159833549.db2.gz IMXIAWWGABHRDY-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364214364 519765845 /nfs/dbraw/zinc/76/58/45/519765845.db2.gz MPIVBFWXOMGAEO-RDJZCZTQSA-N 1 3 309.454 0.992 20 0 DCADHO CC[N@H+](C)CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000131271390 520231124 /nfs/dbraw/zinc/23/11/24/520231124.db2.gz ZTWFPEHRFOQXJZ-UHFFFAOYSA-N 1 3 323.441 0.773 20 0 DCADHO CC[N@@H+](C)CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000131271390 520231131 /nfs/dbraw/zinc/23/11/31/520231131.db2.gz ZTWFPEHRFOQXJZ-UHFFFAOYSA-N 1 3 323.441 0.773 20 0 DCADHO CN(CCN1CCN(C(=O)CC[NH3+])CC1)Cc1ccccc1 ZINC000237135949 522833340 /nfs/dbraw/zinc/83/33/40/522833340.db2.gz KRBBLZUWFNQASZ-UHFFFAOYSA-N 1 3 304.438 0.611 20 0 DCADHO C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000237706024 524183031 /nfs/dbraw/zinc/18/30/31/524183031.db2.gz PUYUBWWHLJCPSX-ZBFHGGJFSA-N 1 3 304.438 0.734 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000261804540 527373462 /nfs/dbraw/zinc/37/34/62/527373462.db2.gz RDKYZWIEPCROTA-HRCADAONSA-N 1 3 303.406 0.708 20 0 DCADHO CNC(=O)[C@@]1(C)CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000430279533 536371777 /nfs/dbraw/zinc/37/17/77/536371777.db2.gz UEKKZIPGVLGVDO-KRWDZBQOSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H](C)[NH3+])CC2)c1 ZINC000194890030 545933418 /nfs/dbraw/zinc/93/34/18/545933418.db2.gz BDKAFAFAPHTNLU-OAHLLOKOSA-N 1 3 304.438 0.971 20 0 DCADHO CN1CCN(c2ncc(CN[C@@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000414935952 546236204 /nfs/dbraw/zinc/23/62/04/546236204.db2.gz YYDJYTXVICYLII-LSDHHAIUSA-N 1 3 304.442 0.588 20 0 DCADHO O=C([C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1)N1CCCC1 ZINC000662255779 546372647 /nfs/dbraw/zinc/37/26/47/546372647.db2.gz RKYJOHJSMVYKTB-HUUCEWRRSA-N 1 3 307.438 0.842 20 0 DCADHO O=C([C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1)N1CCCC1 ZINC000662255779 546372651 /nfs/dbraw/zinc/37/26/51/546372651.db2.gz RKYJOHJSMVYKTB-HUUCEWRRSA-N 1 3 307.438 0.842 20 0 DCADHO CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757677 546393184 /nfs/dbraw/zinc/39/31/84/546393184.db2.gz SANHXIHYWNXPKJ-HOCLYGCPSA-N 1 3 316.490 0.965 20 0 DCADHO CC(C)[C@@](C)(O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757677 546393187 /nfs/dbraw/zinc/39/31/87/546393187.db2.gz SANHXIHYWNXPKJ-HOCLYGCPSA-N 1 3 316.490 0.965 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(COC2)C1 ZINC000665764445 546398977 /nfs/dbraw/zinc/39/89/77/546398977.db2.gz FMCMSTIALZNBQP-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(COC2)C1 ZINC000665764445 546398982 /nfs/dbraw/zinc/39/89/82/546398982.db2.gz FMCMSTIALZNBQP-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000665764193 546399215 /nfs/dbraw/zinc/39/92/15/546399215.db2.gz XUVSYLMUFZAIMF-ZNMIVQPWSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000665764193 546399218 /nfs/dbraw/zinc/39/92/18/546399218.db2.gz XUVSYLMUFZAIMF-ZNMIVQPWSA-N 1 3 314.474 0.719 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000666598556 546487536 /nfs/dbraw/zinc/48/75/36/546487536.db2.gz AEVAPVMCJZUVFZ-UHFFFAOYSA-N 1 3 306.410 0.932 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnnn1C ZINC000667812185 546656119 /nfs/dbraw/zinc/65/61/19/546656119.db2.gz GHRHXIUIBULTQQ-AWEZNQCLSA-N 1 3 322.457 0.232 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnnn1C ZINC000667812185 546656126 /nfs/dbraw/zinc/65/61/26/546656126.db2.gz GHRHXIUIBULTQQ-AWEZNQCLSA-N 1 3 322.457 0.232 20 0 DCADHO CN1CCC[C@H](NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)C1 ZINC000667820432 546659150 /nfs/dbraw/zinc/65/91/50/546659150.db2.gz IVSVNOMNZVFEMW-LBPRGKRZSA-N 1 3 319.413 0.102 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000668670350 546818464 /nfs/dbraw/zinc/81/84/64/546818464.db2.gz KLRQHSFSJCSSAX-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000669491520 546979103 /nfs/dbraw/zinc/97/91/03/546979103.db2.gz NOQSGDLBOYELCA-UONOGXRCSA-N 1 3 312.458 0.785 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671181316 547174501 /nfs/dbraw/zinc/17/45/01/547174501.db2.gz LZWURJVCBQYZDR-KFWWJZLASA-N 1 3 320.437 0.036 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671181316 547174506 /nfs/dbraw/zinc/17/45/06/547174506.db2.gz LZWURJVCBQYZDR-KFWWJZLASA-N 1 3 320.437 0.036 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672010596 547311982 /nfs/dbraw/zinc/31/19/82/547311982.db2.gz NYQGOMQTKDCANO-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)N(C)C1CC1 ZINC000672014544 547312719 /nfs/dbraw/zinc/31/27/19/547312719.db2.gz VNBSYZOVUANTDD-OLZOCXBDSA-N 1 3 324.469 0.432 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672306340 547346292 /nfs/dbraw/zinc/34/62/92/547346292.db2.gz CDWDFLQTPQMMMC-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000673973785 547549657 /nfs/dbraw/zinc/54/96/57/547549657.db2.gz BDXFPMXHVILESF-JSGCOSHPSA-N 1 3 300.472 0.817 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000673973786 547549861 /nfs/dbraw/zinc/54/98/61/547549861.db2.gz BDXFPMXHVILESF-OCCSQVGLSA-N 1 3 300.472 0.817 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nnnn2C)[C@@H](C)C1 ZINC000678546248 547989052 /nfs/dbraw/zinc/98/90/52/547989052.db2.gz FWYMRBWXSBAYJO-KBPBESRZSA-N 1 3 310.446 0.479 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCc2nnnn2C)[C@@H](C)C1 ZINC000678546248 547989056 /nfs/dbraw/zinc/98/90/56/547989056.db2.gz FWYMRBWXSBAYJO-KBPBESRZSA-N 1 3 310.446 0.479 20 0 DCADHO C[C@@H](O)CN1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889507 660888851 /nfs/dbraw/zinc/88/88/51/660888851.db2.gz ASVZFBVVLXJYEA-ZIAGYGMSSA-N 1 3 323.441 0.020 20 0 DCADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CNC2 ZINC000317230418 661034133 /nfs/dbraw/zinc/03/41/33/661034133.db2.gz CWODFOBZLXETOS-HOTGVXAUSA-N 1 3 301.390 0.883 20 0 DCADHO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CNC2 ZINC000317230418 661034134 /nfs/dbraw/zinc/03/41/34/661034134.db2.gz CWODFOBZLXETOS-HOTGVXAUSA-N 1 3 301.390 0.883 20 0 DCADHO O=C(N1CC2(C1)CCCN(CCO)C2)C12CCC[NH+](CCC1)C2 ZINC000981837432 661229639 /nfs/dbraw/zinc/22/96/39/661229639.db2.gz NBHXJNKJVFAKQU-UHFFFAOYSA-N 1 3 321.465 0.779 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCO)C3)C1 ZINC000982009389 661271696 /nfs/dbraw/zinc/27/16/96/661271696.db2.gz OWMIKEOLETWVON-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)C1 ZINC000982009389 661271698 /nfs/dbraw/zinc/27/16/98/661271698.db2.gz OWMIKEOLETWVON-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000982012509 661272354 /nfs/dbraw/zinc/27/23/54/661272354.db2.gz YEGKBPNCMMBZHE-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000982012509 661272355 /nfs/dbraw/zinc/27/23/55/661272355.db2.gz YEGKBPNCMMBZHE-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO Cn1nccc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998267961 665426421 /nfs/dbraw/zinc/42/64/21/665426421.db2.gz BKOMHXLSFVEJSA-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891536644 657466795 /nfs/dbraw/zinc/46/67/95/657466795.db2.gz FFFBHCOCVOOXGZ-OFQRWUPVSA-N 1 3 310.442 0.348 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cncc(F)c3)C2)C1 ZINC001023084257 657485770 /nfs/dbraw/zinc/48/57/70/657485770.db2.gz LSTBUVHTJJLFSC-YUELXQCFSA-N 1 3 306.385 0.909 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cncc(F)c3)C2)C1 ZINC001023084257 657485772 /nfs/dbraw/zinc/48/57/72/657485772.db2.gz LSTBUVHTJJLFSC-YUELXQCFSA-N 1 3 306.385 0.909 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001023124310 657535015 /nfs/dbraw/zinc/53/50/15/657535015.db2.gz FOFYCKCCEGHKMA-FPCVCCKLSA-N 1 3 319.453 0.993 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001023131038 657541267 /nfs/dbraw/zinc/54/12/67/657541267.db2.gz ULQVHPDOJJQDNB-BARDWOONSA-N 1 3 322.453 0.376 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000970718464 657826947 /nfs/dbraw/zinc/82/69/47/657826947.db2.gz VOWTZHBJBROZSH-KGLIPLIRSA-N 1 3 318.425 0.052 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1(C)C ZINC000891881587 657871544 /nfs/dbraw/zinc/87/15/44/657871544.db2.gz YSARQLVIMUNIEB-WMLDXEAASA-N 1 3 323.485 0.263 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926331499 658094393 /nfs/dbraw/zinc/09/43/93/658094393.db2.gz ATWCDRWKJGQWIL-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926334991 658113959 /nfs/dbraw/zinc/11/39/59/658113959.db2.gz PFZFZMXGYKMOBB-YOEHRIQHSA-N 1 3 320.437 0.038 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC001020589933 658168534 /nfs/dbraw/zinc/16/85/34/658168534.db2.gz HZISPGCDYOSNJN-PCBIJLKTSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001020589933 658168538 /nfs/dbraw/zinc/16/85/38/658168538.db2.gz HZISPGCDYOSNJN-PCBIJLKTSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020592481 658171261 /nfs/dbraw/zinc/17/12/61/658171261.db2.gz GOYUHYQXCCBOOE-BQUFFADESA-N 1 3 323.466 0.781 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020592481 658171269 /nfs/dbraw/zinc/17/12/69/658171269.db2.gz GOYUHYQXCCBOOE-BQUFFADESA-N 1 3 323.466 0.781 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H](C)C2CN(CCCO)C2)C1 ZINC000969833690 658190855 /nfs/dbraw/zinc/19/08/55/658190855.db2.gz QYIBRHPCWZGGLB-HUUCEWRRSA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H](C)C2CN(CCCO)C2)C1 ZINC000969833690 658190860 /nfs/dbraw/zinc/19/08/60/658190860.db2.gz QYIBRHPCWZGGLB-HUUCEWRRSA-N 1 3 311.470 0.783 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001022646171 658220017 /nfs/dbraw/zinc/22/00/17/658220017.db2.gz CXRPLVGETXKYNZ-IYBDPMFKSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000969950731 658286651 /nfs/dbraw/zinc/28/66/51/658286651.db2.gz JDAIBHGLBBHVRV-XJKSGUPXSA-N 1 3 319.453 0.903 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000969950731 658286655 /nfs/dbraw/zinc/28/66/55/658286655.db2.gz JDAIBHGLBBHVRV-XJKSGUPXSA-N 1 3 319.453 0.903 20 0 DCADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000892189956 658291191 /nfs/dbraw/zinc/29/11/91/658291191.db2.gz QNSQSXTUKWOLKS-HNNXBMFYSA-N 1 3 312.458 0.882 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC000969985689 658323969 /nfs/dbraw/zinc/32/39/69/658323969.db2.gz MJBKCGOYXZROKG-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(Nc2ccncc2CO)CC1 ZINC000892435734 658490676 /nfs/dbraw/zinc/49/06/76/658490676.db2.gz SPUAJSJWDIUZQD-UHFFFAOYSA-N 1 3 306.410 0.350 20 0 DCADHO CN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178669 658508323 /nfs/dbraw/zinc/50/83/23/658508323.db2.gz CDOJKECZTSYZSP-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972332352 658576523 /nfs/dbraw/zinc/57/65/23/658576523.db2.gz BSLUDHUKFWRNAG-XJKSGUPXSA-N 1 3 315.433 0.724 20 0 DCADHO C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972332352 658576526 /nfs/dbraw/zinc/57/65/26/658576526.db2.gz BSLUDHUKFWRNAG-XJKSGUPXSA-N 1 3 315.433 0.724 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001039127508 658636854 /nfs/dbraw/zinc/63/68/54/658636854.db2.gz QKUFMLRUAVYWMF-HUUCEWRRSA-N 1 3 322.453 0.126 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001039127508 658636859 /nfs/dbraw/zinc/63/68/59/658636859.db2.gz QKUFMLRUAVYWMF-HUUCEWRRSA-N 1 3 322.453 0.126 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001022120545 658877123 /nfs/dbraw/zinc/87/71/23/658877123.db2.gz NLSHEHBCAQSLPU-QKPAOTATSA-N 1 3 307.438 0.887 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000924465124 658923060 /nfs/dbraw/zinc/92/30/60/658923060.db2.gz RGUONPWTSYTRLN-KBPBESRZSA-N 1 3 324.425 0.112 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]C[C@H]1CCOC1 ZINC001025098420 659032095 /nfs/dbraw/zinc/03/20/95/659032095.db2.gz SNWVLJUMVNTVPI-UKRRQHHQSA-N 1 3 306.410 0.959 20 0 DCADHO Cc1ncoc1CNC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027216422 659088917 /nfs/dbraw/zinc/08/89/17/659088917.db2.gz UBEWTYOLHUYFRP-ZIAGYGMSSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncoc1CNC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027216422 659088924 /nfs/dbraw/zinc/08/89/24/659088924.db2.gz UBEWTYOLHUYFRP-ZIAGYGMSSA-N 1 3 306.410 0.873 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999407328 665642234 /nfs/dbraw/zinc/64/22/34/665642234.db2.gz UFGHJYRGFZKTCV-QQFBHYJXSA-N 1 3 319.453 0.946 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CCO ZINC000939806443 665647700 /nfs/dbraw/zinc/64/77/00/665647700.db2.gz IKSFJXYJCWYLMR-CZUORRHYSA-N 1 3 305.422 0.791 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC000999497414 665650237 /nfs/dbraw/zinc/65/02/37/665650237.db2.gz QHUPYAOMMXVQAZ-LSDHHAIUSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973291806 659228265 /nfs/dbraw/zinc/22/82/65/659228265.db2.gz CJKBOELOUIABGI-XGUBFFRZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973291806 659228270 /nfs/dbraw/zinc/22/82/70/659228270.db2.gz CJKBOELOUIABGI-XGUBFFRZSA-N 1 3 322.453 0.186 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001027333870 659270929 /nfs/dbraw/zinc/27/09/29/659270929.db2.gz FBPPPLJLADMQQM-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027333870 659270932 /nfs/dbraw/zinc/27/09/32/659270932.db2.gz FBPPPLJLADMQQM-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC001026387380 659271384 /nfs/dbraw/zinc/27/13/84/659271384.db2.gz ZTKIERYGLWILPU-SOUVJXGZSA-N 1 3 322.453 0.030 20 0 DCADHO CC(C)CC[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857330 665660944 /nfs/dbraw/zinc/66/09/44/665660944.db2.gz SDOHJCJCEQTFDK-BFHRDPOASA-N 1 3 321.465 0.944 20 0 DCADHO CCO[C@H](CNC(=O)N(CC)[C@@H]1CCN(C)C1)C[NH+](C)C ZINC000926846497 659452484 /nfs/dbraw/zinc/45/24/84/659452484.db2.gz IUXPCEAUYVPOAR-ZIAGYGMSSA-N 1 3 300.447 0.689 20 0 DCADHO Cc1cnc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001026733952 659490431 /nfs/dbraw/zinc/49/04/31/659490431.db2.gz KJIGHDPNCKBUPQ-GDBMZVCRSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999845016 665690391 /nfs/dbraw/zinc/69/03/91/665690391.db2.gz BZLFMLXKQIRODO-WBMJQRKESA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001026886520 659626742 /nfs/dbraw/zinc/62/67/42/659626742.db2.gz ZHAXFYOYVKEREP-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001026901248 659629896 /nfs/dbraw/zinc/62/98/96/659629896.db2.gz LUNBWVPQWNNSCZ-ZBFHGGJFSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001026901247 659630058 /nfs/dbraw/zinc/63/00/58/659630058.db2.gz LUNBWVPQWNNSCZ-HOCLYGCPSA-N 1 3 321.469 0.944 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893019046 659678644 /nfs/dbraw/zinc/67/86/44/659678644.db2.gz IZMZTEIPQHRNCD-FVQBIDKESA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893019046 659678646 /nfs/dbraw/zinc/67/86/46/659678646.db2.gz IZMZTEIPQHRNCD-FVQBIDKESA-N 1 3 322.453 0.464 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001027037395 659726104 /nfs/dbraw/zinc/72/61/04/659726104.db2.gz UDVICMANFCUEID-CYBMUJFWSA-N 1 3 320.441 0.393 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001027069060 659756334 /nfs/dbraw/zinc/75/63/34/659756334.db2.gz KBOJFEQGJVMPIU-JSGCOSHPSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21)N1CCCCCC1 ZINC001026088793 659775407 /nfs/dbraw/zinc/77/54/07/659775407.db2.gz VKDMICZKBNBIRY-ZVDSWSACSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)N1CCCCCC1 ZINC001026088793 659775410 /nfs/dbraw/zinc/77/54/10/659775410.db2.gz VKDMICZKBNBIRY-ZVDSWSACSA-N 1 3 309.454 0.678 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982163736 661298502 /nfs/dbraw/zinc/29/85/02/661298502.db2.gz RAQKVEAMEHZPIG-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000982163736 661298503 /nfs/dbraw/zinc/29/85/03/661298503.db2.gz RAQKVEAMEHZPIG-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCn2cccn2)C1 ZINC001028316423 661456290 /nfs/dbraw/zinc/45/62/90/661456290.db2.gz PMKRPEIQJBXKHD-GJZGRUSLSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCn2cccn2)C1 ZINC001028316423 661456291 /nfs/dbraw/zinc/45/62/91/661456291.db2.gz PMKRPEIQJBXKHD-GJZGRUSLSA-N 1 3 305.426 0.415 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597988 661590869 /nfs/dbraw/zinc/59/08/69/661590869.db2.gz DWNQKNAULVNULV-VBNZEHGJSA-N 1 3 306.410 0.503 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597988 661590872 /nfs/dbraw/zinc/59/08/72/661590872.db2.gz DWNQKNAULVNULV-VBNZEHGJSA-N 1 3 306.410 0.503 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000940526582 665785374 /nfs/dbraw/zinc/78/53/74/665785374.db2.gz WSOYJWJQWVAOKC-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000940526582 665785376 /nfs/dbraw/zinc/78/53/76/665785376.db2.gz WSOYJWJQWVAOKC-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001000219690 665787337 /nfs/dbraw/zinc/78/73/37/665787337.db2.gz ARMMNOOQYDYXSJ-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001000312654 665821212 /nfs/dbraw/zinc/82/12/12/665821212.db2.gz OOJQKOASTQQVSE-UONOGXRCSA-N 1 3 306.410 0.959 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(c2cc[nH+]cc2CO)CC1 ZINC000895134889 662115664 /nfs/dbraw/zinc/11/56/64/662115664.db2.gz BYTTUDRMQINPKP-UHFFFAOYSA-N 1 3 318.421 0.884 20 0 DCADHO CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000984370880 662164114 /nfs/dbraw/zinc/16/41/14/662164114.db2.gz OEBBTFQBRDSTJE-MLURZJSDSA-N 1 3 307.438 0.742 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000895666235 662204968 /nfs/dbraw/zinc/20/49/68/662204968.db2.gz KOLMAVCOPVHECX-AYCBFJCHSA-N 1 3 324.469 0.733 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000895666235 662204970 /nfs/dbraw/zinc/20/49/70/662204970.db2.gz KOLMAVCOPVHECX-AYCBFJCHSA-N 1 3 324.469 0.733 20 0 DCADHO C[NH+]1CCC(CN2CCN(CCc3cnccn3)CC2)CC1 ZINC000895782309 662217185 /nfs/dbraw/zinc/21/71/85/662217185.db2.gz BUBPZFONUFOZET-UHFFFAOYSA-N 1 3 303.454 0.979 20 0 DCADHO CN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCCN(C)C1 ZINC000895849923 662222243 /nfs/dbraw/zinc/22/22/43/662222243.db2.gz BQPBBJJYLFBMGD-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000895849923 662222246 /nfs/dbraw/zinc/22/22/46/662222246.db2.gz BQPBBJJYLFBMGD-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000895849923 662222249 /nfs/dbraw/zinc/22/22/49/662222249.db2.gz BQPBBJJYLFBMGD-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC000896619069 662299966 /nfs/dbraw/zinc/29/99/66/662299966.db2.gz SQKZVHKNPUGZLZ-KBXIAJHMSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC000896619069 662299967 /nfs/dbraw/zinc/29/99/67/662299967.db2.gz SQKZVHKNPUGZLZ-KBXIAJHMSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000984801111 662316499 /nfs/dbraw/zinc/31/64/99/662316499.db2.gz ZDNOLDGQFUISNW-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000985035744 662359296 /nfs/dbraw/zinc/35/92/96/662359296.db2.gz ZDVUBHGEXPXPSC-AVGNSLFASA-N 1 3 323.466 0.864 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000985035744 662359300 /nfs/dbraw/zinc/35/93/00/662359300.db2.gz ZDVUBHGEXPXPSC-AVGNSLFASA-N 1 3 323.466 0.864 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331484 662410963 /nfs/dbraw/zinc/41/09/63/662410963.db2.gz GHXQTJCGBAVASV-UONOGXRCSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331484 662410964 /nfs/dbraw/zinc/41/09/64/662410964.db2.gz GHXQTJCGBAVASV-UONOGXRCSA-N 1 3 310.442 0.267 20 0 DCADHO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985332713 662412560 /nfs/dbraw/zinc/41/25/60/662412560.db2.gz RWQAORMOTMQRCZ-GJZGRUSLSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000985332713 662412561 /nfs/dbraw/zinc/41/25/61/662412561.db2.gz RWQAORMOTMQRCZ-GJZGRUSLSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985428746 662442235 /nfs/dbraw/zinc/44/22/35/662442235.db2.gz KNLQHBFVIYJJNI-AWEZNQCLSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985428746 662442237 /nfs/dbraw/zinc/44/22/37/662442237.db2.gz KNLQHBFVIYJJNI-AWEZNQCLSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468061 662460661 /nfs/dbraw/zinc/46/06/61/662460661.db2.gz OSHXIHUYOLMOFJ-GFCCVEGCSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468061 662460662 /nfs/dbraw/zinc/46/06/62/662460662.db2.gz OSHXIHUYOLMOFJ-GFCCVEGCSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000985500148 662469191 /nfs/dbraw/zinc/46/91/91/662469191.db2.gz AMUWPYNPXHSDJZ-CABCVRRESA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000985500148 662469192 /nfs/dbraw/zinc/46/91/92/662469192.db2.gz AMUWPYNPXHSDJZ-CABCVRRESA-N 1 3 324.469 0.657 20 0 DCADHO c1cc2c(cc1CN1CC[C@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000262568695 662485032 /nfs/dbraw/zinc/48/50/32/662485032.db2.gz XDPHGLCXWJLYEP-HNNXBMFYSA-N 1 3 303.406 0.937 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1)N(C)C ZINC000985655356 662496906 /nfs/dbraw/zinc/49/69/06/662496906.db2.gz JGPZPJHEIWCKNQ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1)N(C)C ZINC000985655356 662496907 /nfs/dbraw/zinc/49/69/07/662496907.db2.gz JGPZPJHEIWCKNQ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@@H](CC)C(N)=O)CC1)N(C)C ZINC000985656247 662497225 /nfs/dbraw/zinc/49/72/25/662497225.db2.gz MMAUJHLEPJACIT-KBPBESRZSA-N 1 3 312.458 0.513 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H](CC)C(N)=O)CC1)N(C)C ZINC000985656247 662497226 /nfs/dbraw/zinc/49/72/26/662497226.db2.gz MMAUJHLEPJACIT-KBPBESRZSA-N 1 3 312.458 0.513 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904447 662554019 /nfs/dbraw/zinc/55/40/19/662554019.db2.gz WLDLYXVQCVKPMP-HZPDHXFCSA-N 1 3 309.454 0.899 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904447 662554020 /nfs/dbraw/zinc/55/40/20/662554020.db2.gz WLDLYXVQCVKPMP-HZPDHXFCSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC000987522078 662685677 /nfs/dbraw/zinc/68/56/77/662685677.db2.gz FDCSMBSZLOUSRX-ZBFHGGJFSA-N 1 3 319.453 0.637 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000729504107 662892276 /nfs/dbraw/zinc/89/22/76/662892276.db2.gz GJXAHXHEXMHKNN-LSDHHAIUSA-N 1 3 312.458 0.879 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000729504107 662892278 /nfs/dbraw/zinc/89/22/78/662892278.db2.gz GJXAHXHEXMHKNN-LSDHHAIUSA-N 1 3 312.458 0.879 20 0 DCADHO NC(=O)COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000322192588 662895311 /nfs/dbraw/zinc/89/53/11/662895311.db2.gz HARKDWXKPAIIOT-UHFFFAOYSA-N 1 3 321.421 0.881 20 0 DCADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729620098 662905898 /nfs/dbraw/zinc/90/58/98/662905898.db2.gz VCPXYAGDQGAWEP-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729620098 662905899 /nfs/dbraw/zinc/90/58/99/662905899.db2.gz VCPXYAGDQGAWEP-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1C[C@H](NCc2cncn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682719 662971405 /nfs/dbraw/zinc/97/14/05/662971405.db2.gz JOZXFIFJKVFOKE-KBPBESRZSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@H](CN1C(=O)N[C@H](CN(C)C)C1=O)[N@H+](C)Cc1ccccc1 ZINC000924627910 663048837 /nfs/dbraw/zinc/04/88/37/663048837.db2.gz FRSDLGYTSGQYHN-UKRRQHHQSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@H](CN1C(=O)N[C@H](CN(C)C)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000924627910 663048839 /nfs/dbraw/zinc/04/88/39/663048839.db2.gz FRSDLGYTSGQYHN-UKRRQHHQSA-N 1 3 318.421 0.989 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000900054768 663212699 /nfs/dbraw/zinc/21/26/99/663212699.db2.gz VZCKTTPHJKODRK-UHFFFAOYSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000900216481 663226713 /nfs/dbraw/zinc/22/67/13/663226713.db2.gz NCVVVCRAXFTEGA-KBPBESRZSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000900216481 663226715 /nfs/dbraw/zinc/22/67/15/663226715.db2.gz NCVVVCRAXFTEGA-KBPBESRZSA-N 1 3 305.426 0.801 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2ccnn2CC[NH+](C)C)CN1C1CC1 ZINC000900994481 663303081 /nfs/dbraw/zinc/30/30/81/663303081.db2.gz HPVASIYNZFCNAG-OLZOCXBDSA-N 1 3 305.426 0.800 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221211 665948470 /nfs/dbraw/zinc/94/84/70/665948470.db2.gz NMQXCVCIFYSAQE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NC1CCCC1)C2 ZINC000903492003 663458176 /nfs/dbraw/zinc/45/81/76/663458176.db2.gz IBEONTDUMCHJNS-JRATXPSKSA-N 1 3 323.437 0.646 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000903522658 663460168 /nfs/dbraw/zinc/46/01/68/663460168.db2.gz JHVYONOOZBNIKL-UHFFFAOYSA-N 1 3 305.488 0.965 20 0 DCADHO O=C1NCCN1[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725811 663475284 /nfs/dbraw/zinc/47/52/84/663475284.db2.gz HWAOMTTWQZJQRL-CABCVRRESA-N 1 3 322.453 0.635 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903731476 663476073 /nfs/dbraw/zinc/47/60/73/663476073.db2.gz HGHPJQPRSMPDLW-ZDUSSCGKSA-N 1 3 310.442 0.125 20 0 DCADHO CCOC(=O)[C@@H]1[C@@H]2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@@H]21 ZINC000903786142 663484774 /nfs/dbraw/zinc/48/47/74/663484774.db2.gz FGXYLVIEVWLCIO-OWVAZHOYSA-N 1 3 308.422 0.886 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903937144 663496836 /nfs/dbraw/zinc/49/68/36/663496836.db2.gz CHUJBFMBLSZTHZ-LBPRGKRZSA-N 1 3 318.412 0.775 20 0 DCADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000903935630 663496905 /nfs/dbraw/zinc/49/69/05/663496905.db2.gz RENOPKCKMZNJEL-QXTAMJNMSA-N 1 3 303.410 0.716 20 0 DCADHO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904317345 663508040 /nfs/dbraw/zinc/50/80/40/663508040.db2.gz VEGOVDLTYAAPDQ-MCIONIFRSA-N 1 3 311.426 0.457 20 0 DCADHO CN(C[C@@]1(C)CCC[NH2+]C1)C1CCN(S(C)(=O)=O)CC1 ZINC000904327333 663508441 /nfs/dbraw/zinc/50/84/41/663508441.db2.gz DEKOBUQNYYGBMF-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO C[N@H+](C[C@@]1(C)CCCNC1)C1CCN(S(C)(=O)=O)CC1 ZINC000904327333 663508442 /nfs/dbraw/zinc/50/84/42/663508442.db2.gz DEKOBUQNYYGBMF-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO C[N@@H+](C[C@@]1(C)CCCNC1)C1CCN(S(C)(=O)=O)CC1 ZINC000904327333 663508444 /nfs/dbraw/zinc/50/84/44/663508444.db2.gz DEKOBUQNYYGBMF-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905338274 663550255 /nfs/dbraw/zinc/55/02/55/663550255.db2.gz OMGYEYVQGBWNCL-GXTWGEPZSA-N 1 3 303.472 0.588 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906646849 663626949 /nfs/dbraw/zinc/62/69/49/663626949.db2.gz YDLHUYHYDLHBAE-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908527068 663759419 /nfs/dbraw/zinc/75/94/19/663759419.db2.gz PLVFDEOCEOYBMK-JYJNAYRXSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908527068 663759420 /nfs/dbraw/zinc/75/94/20/663759420.db2.gz PLVFDEOCEOYBMK-JYJNAYRXSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CCCCC1 ZINC000910947541 663961541 /nfs/dbraw/zinc/96/15/41/663961541.db2.gz ZVQHBWIUYCHEOY-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])N1CCCCC1 ZINC000910946703 663961678 /nfs/dbraw/zinc/96/16/78/663961678.db2.gz PNPGLOWYWUINQV-CPUCHLNUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CCC(C)CC1 ZINC000911091136 663980726 /nfs/dbraw/zinc/98/07/26/663980726.db2.gz OFCLNFOXRLTSCS-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000911327802 664029036 /nfs/dbraw/zinc/02/90/36/664029036.db2.gz VYNDNUGMWJBBEE-UHFFFAOYSA-N 1 3 310.442 0.222 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911337073 664037603 /nfs/dbraw/zinc/03/76/03/664037603.db2.gz PMWNRSPKKSGVNF-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000911505552 664067102 /nfs/dbraw/zinc/06/71/02/664067102.db2.gz DSWUORIRRWCUPS-CYBMUJFWSA-N 1 3 308.426 0.071 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@H]1[NH3+] ZINC000911535012 664070875 /nfs/dbraw/zinc/07/08/75/664070875.db2.gz XVHHPWAURSVTHU-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911521204 664074190 /nfs/dbraw/zinc/07/41/90/664074190.db2.gz UAYCYSNVQJSVSB-STQMWFEESA-N 1 3 310.442 0.042 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911527377 664075126 /nfs/dbraw/zinc/07/51/26/664075126.db2.gz DIQTXRASQHNMPV-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000911580902 664086324 /nfs/dbraw/zinc/08/63/24/664086324.db2.gz UTPOTUMZMPSGHH-ZIAGYGMSSA-N 1 3 307.442 0.903 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NC3CC[NH2+]CC3)ccc2NC1=O ZINC000911629511 664093913 /nfs/dbraw/zinc/09/39/13/664093913.db2.gz WLEURJDFDXLBQI-ZDUSSCGKSA-N 1 3 302.378 0.380 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000913426835 664312902 /nfs/dbraw/zinc/31/29/02/664312902.db2.gz DMWVFBWECOOVIT-KKUMJFAQSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000913426835 664312905 /nfs/dbraw/zinc/31/29/05/664312905.db2.gz DMWVFBWECOOVIT-KKUMJFAQSA-N 1 3 309.454 0.965 20 0 DCADHO COCCN1CC[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000730733424 664803168 /nfs/dbraw/zinc/80/31/68/664803168.db2.gz JVFICHLHEFFFRO-CYBMUJFWSA-N 1 3 316.515 0.759 20 0 DCADHO CN(C)c1cc[nH+]c(CNC(=O)NC[C@H]2CN(C)CCN2C)c1 ZINC000917959611 665151588 /nfs/dbraw/zinc/15/15/88/665151588.db2.gz HZTRQXGQPKJIEI-HNNXBMFYSA-N 1 3 320.441 0.193 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567635 666020293 /nfs/dbraw/zinc/02/02/93/666020293.db2.gz ZQUHXDNMYRKNJF-NVXWUHKLSA-N 1 3 322.497 0.813 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941567635 666020295 /nfs/dbraw/zinc/02/02/95/666020295.db2.gz ZQUHXDNMYRKNJF-NVXWUHKLSA-N 1 3 322.497 0.813 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001032205728 666440722 /nfs/dbraw/zinc/44/07/22/666440722.db2.gz GWSHPACELQJDIC-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000945381286 666604953 /nfs/dbraw/zinc/60/49/53/666604953.db2.gz HVCNCMBYNJWHKL-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000945381286 666604955 /nfs/dbraw/zinc/60/49/55/666604955.db2.gz HVCNCMBYNJWHKL-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C)C(N)=O ZINC000995889504 666719269 /nfs/dbraw/zinc/71/92/69/666719269.db2.gz VIKKGTJBRBNEJF-VXGBXAGGSA-N 1 3 310.442 0.171 20 0 DCADHO COCCN1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489689 666730877 /nfs/dbraw/zinc/73/08/77/666730877.db2.gz JBTWEBMPZYFWRX-HNNXBMFYSA-N 1 3 323.441 0.237 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996379417 666778844 /nfs/dbraw/zinc/77/88/44/666778844.db2.gz LYQZNLADVGEXFN-ZIAGYGMSSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996379417 666778846 /nfs/dbraw/zinc/77/88/46/666778846.db2.gz LYQZNLADVGEXFN-ZIAGYGMSSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033661620 666791454 /nfs/dbraw/zinc/79/14/54/666791454.db2.gz LXACHAHCCJEMFK-CABCVRRESA-N 1 3 305.426 0.368 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033661620 666791455 /nfs/dbraw/zinc/79/14/55/666791455.db2.gz LXACHAHCCJEMFK-CABCVRRESA-N 1 3 305.426 0.368 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)CCC1 ZINC000996668384 666852696 /nfs/dbraw/zinc/85/26/96/666852696.db2.gz CZKWOWCNBQZWJL-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000996680802 666859473 /nfs/dbraw/zinc/85/94/73/666859473.db2.gz VGUHLYKMOGZGQK-HNNXBMFYSA-N 1 3 320.441 0.236 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1)C(N)=O ZINC000996696457 666863109 /nfs/dbraw/zinc/86/31/09/666863109.db2.gz OSLOPAQRKWOONY-KGLIPLIRSA-N 1 3 312.458 0.417 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCO)C2)C1 ZINC001034239263 666964329 /nfs/dbraw/zinc/96/43/29/666964329.db2.gz TWUAJAFFNRFJHG-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCO)C2)C1 ZINC001034239263 666964330 /nfs/dbraw/zinc/96/43/30/666964330.db2.gz TWUAJAFFNRFJHG-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])N(C)Cc1ccccc1 ZINC000861735523 666968901 /nfs/dbraw/zinc/96/89/01/666968901.db2.gz NOLOIALTSFMKEX-UONOGXRCSA-N 1 3 320.437 0.429 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996994360 667060343 /nfs/dbraw/zinc/06/03/43/667060343.db2.gz HNKAWKJXYMXILF-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC000997003380 667066562 /nfs/dbraw/zinc/06/65/62/667066562.db2.gz BEXGWLNSXLSWAX-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1)C(N)=O ZINC001034704245 667114781 /nfs/dbraw/zinc/11/47/81/667114781.db2.gz MDYGJQIFSYJISP-MGPQQGTHSA-N 1 3 324.469 0.752 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001035051989 667229621 /nfs/dbraw/zinc/22/96/21/667229621.db2.gz BQBJSBHEJMICNS-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]CCO)CC2)c1 ZINC000997357743 667256824 /nfs/dbraw/zinc/25/68/24/667256824.db2.gz YARMZUIDGWWLNC-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCN(C)[C@H]2C)C1 ZINC000925342928 667318478 /nfs/dbraw/zinc/31/84/78/667318478.db2.gz JOGRSIZWXXXUCO-YHUYYLMFSA-N 1 3 324.469 0.974 20 0 DCADHO Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000997604513 667346032 /nfs/dbraw/zinc/34/60/32/667346032.db2.gz BBSIYDNOWHTABQ-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC2(CN(CCO)C2)CC1 ZINC001035707225 667402427 /nfs/dbraw/zinc/40/24/27/667402427.db2.gz STYDKFCGEOXVHT-HZPDHXFCSA-N 1 3 321.465 0.778 20 0 DCADHO O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC2(CN(CCO)C2)CC1 ZINC001035707225 667402428 /nfs/dbraw/zinc/40/24/28/667402428.db2.gz STYDKFCGEOXVHT-HZPDHXFCSA-N 1 3 321.465 0.778 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C2)CC1 ZINC001036222654 667432757 /nfs/dbraw/zinc/43/27/57/667432757.db2.gz BMVUTVAPHAKZDG-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)CC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC001036293062 667434529 /nfs/dbraw/zinc/43/45/29/667434529.db2.gz FPGNQJVFWGAFJW-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CSC1 ZINC000923201636 667474768 /nfs/dbraw/zinc/47/47/68/667474768.db2.gz PSSHJBHFEXALLV-LBPRGKRZSA-N 1 3 302.488 0.921 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CSC1 ZINC000923201636 667474770 /nfs/dbraw/zinc/47/47/70/667474770.db2.gz PSSHJBHFEXALLV-LBPRGKRZSA-N 1 3 302.488 0.921 20 0 DCADHO COCC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000884220000 667502859 /nfs/dbraw/zinc/50/28/59/667502859.db2.gz DKSSTYWYMCJFPM-CQSZACIVSA-N 1 3 313.442 0.502 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223803 667503603 /nfs/dbraw/zinc/50/36/03/667503603.db2.gz YXWUDIBZWUTLCB-BPUTZDHNSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223803 667503607 /nfs/dbraw/zinc/50/36/07/667503607.db2.gz YXWUDIBZWUTLCB-BPUTZDHNSA-N 1 3 305.422 0.987 20 0 DCADHO O[C@@H](COc1ccccc1F)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923364619 667516514 /nfs/dbraw/zinc/51/65/14/667516514.db2.gz BZBIJTFQMHNELH-HUUCEWRRSA-N 1 3 323.412 0.545 20 0 DCADHO Cc1c(F)cccc1NC(=O)CCN1CCNCC[NH2+]CC1 ZINC000923462969 667538699 /nfs/dbraw/zinc/53/86/99/667538699.db2.gz NLHCQRILPQBWBX-UHFFFAOYSA-N 1 3 308.401 0.958 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@H]21 ZINC000868214987 667542847 /nfs/dbraw/zinc/54/28/47/667542847.db2.gz AAIYKLHEGUTIHQ-QKPAOTATSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC[C@H]21 ZINC000868214987 667542848 /nfs/dbraw/zinc/54/28/48/667542848.db2.gz AAIYKLHEGUTIHQ-QKPAOTATSA-N 1 3 322.453 0.585 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N1CCC(C)CC1 ZINC000884502304 667557491 /nfs/dbraw/zinc/55/74/91/667557491.db2.gz GZRHYMMFUGVBAV-RBSFLKMASA-N 1 3 324.469 0.276 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868406537 667567310 /nfs/dbraw/zinc/56/73/10/667567310.db2.gz OFDISOXTXRBLOQ-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000884631674 667579806 /nfs/dbraw/zinc/57/98/06/667579806.db2.gz RWNJNSOQEHLTEH-QEJZJMRPSA-N 1 3 322.453 0.221 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000884787452 667607353 /nfs/dbraw/zinc/60/73/53/667607353.db2.gz SHHRFTXAYQNQRR-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884786589 667607542 /nfs/dbraw/zinc/60/75/42/667607542.db2.gz RVTZISMPAJPSEO-BFHYXJOUSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884908751 667621618 /nfs/dbraw/zinc/62/16/18/667621618.db2.gz BWGMUAFHQSTFFX-IHRRRGAJSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009483 667634908 /nfs/dbraw/zinc/63/49/08/667634908.db2.gz WNZJHTRDGNMERJ-XGUBFFRZSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000870982367 667781302 /nfs/dbraw/zinc/78/13/02/667781302.db2.gz ZGBPSVMKDGHGJR-GOEBONIOSA-N 1 3 310.486 0.844 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886841455 667805119 /nfs/dbraw/zinc/80/51/19/667805119.db2.gz LWNMBYNKXRXEAF-LYYZXLFJSA-N 1 3 321.421 0.811 20 0 DCADHO CN(CCO)CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000886965252 667823337 /nfs/dbraw/zinc/82/33/37/667823337.db2.gz UDGDOLSRONXBCO-UHFFFAOYSA-N 1 3 310.373 0.517 20 0 DCADHO CN(CCO)CCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000886972665 667824484 /nfs/dbraw/zinc/82/44/84/667824484.db2.gz NRIBWQDFGPQEFE-UHFFFAOYSA-N 1 3 308.382 0.214 20 0 DCADHO CN1CCN(CCCNC(=S)NCCC[NH+](C)C)CC1 ZINC000747740749 667911047 /nfs/dbraw/zinc/91/10/47/667911047.db2.gz VVKTUXXEZPJNIL-UHFFFAOYSA-N 1 3 301.504 0.040 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC000889755091 667990872 /nfs/dbraw/zinc/99/08/72/667990872.db2.gz DHOSZMOIPOGXQL-YHUYYLMFSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC000889755091 667990876 /nfs/dbraw/zinc/99/08/76/667990876.db2.gz DHOSZMOIPOGXQL-YHUYYLMFSA-N 1 3 309.454 0.774 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCOc3cc(N)ccc3C2)C1 ZINC000873218400 668067099 /nfs/dbraw/zinc/06/70/99/668067099.db2.gz FYKLBVHWOZBDEB-CYBMUJFWSA-N 1 3 318.421 0.661 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCOc3cc(N)ccc3C2)C1 ZINC000873218400 668067104 /nfs/dbraw/zinc/06/71/04/668067104.db2.gz FYKLBVHWOZBDEB-CYBMUJFWSA-N 1 3 318.421 0.661 20 0 DCADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873248620 668068752 /nfs/dbraw/zinc/06/87/52/668068752.db2.gz HHHFXTVJDXHAPQ-HUUCEWRRSA-N 1 3 316.405 0.955 20 0 DCADHO O=C1COC[C@]2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)COCCN12 ZINC000873266868 668070651 /nfs/dbraw/zinc/07/06/51/668070651.db2.gz RSAOABHUAHDJTQ-HWMZRRJGSA-N 1 3 323.437 0.125 20 0 DCADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCN(CCN3CCOCC3)C2)C12CCC2 ZINC000925499106 668158301 /nfs/dbraw/zinc/15/83/01/668158301.db2.gz VFGYSFCUDFEDJD-XHSDSOJGSA-N 1 3 308.470 0.252 20 0 DCADHO C[C@H]1CCC[N@@H+](C(C)(C)CN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924521404 668214723 /nfs/dbraw/zinc/21/47/23/668214723.db2.gz CYDFTDPNWDITBC-STQMWFEESA-N 1 3 310.442 0.979 20 0 DCADHO C[C@H]1CCC[N@H+](C(C)(C)CN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924521404 668214727 /nfs/dbraw/zinc/21/47/27/668214727.db2.gz CYDFTDPNWDITBC-STQMWFEESA-N 1 3 310.442 0.979 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C1[C@@H]2CC[C@H]1CN(C)C2 ZINC000924901381 668249204 /nfs/dbraw/zinc/24/92/04/668249204.db2.gz HKNKHBXECFHKEC-TVXGVJEUSA-N 1 3 322.497 0.859 20 0 DCADHO CN(C)C[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CCCCC3)C2)C1=O ZINC000925333062 668297742 /nfs/dbraw/zinc/29/77/42/668297742.db2.gz YZJIRILNKXXPBV-UONOGXRCSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CCCCC3)C2)C1=O ZINC000925333062 668297744 /nfs/dbraw/zinc/29/77/44/668297744.db2.gz YZJIRILNKXXPBV-UONOGXRCSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@@H]1NCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000925669422 668339853 /nfs/dbraw/zinc/33/98/53/668339853.db2.gz BXTAHIOADGNCJR-IXIBIKRGSA-N 1 3 308.470 0.800 20 0 DCADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000925727741 668343623 /nfs/dbraw/zinc/34/36/23/668343623.db2.gz RHQUAUHQSJTIAX-IOASZLSFSA-N 1 3 311.426 0.110 20 0 DCADHO C(CN1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1)N1CCOCC1 ZINC000925767771 668346640 /nfs/dbraw/zinc/34/66/40/668346640.db2.gz HJWDDJYMILDTFV-SJORKVTESA-N 1 3 310.486 0.515 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926129034 668375317 /nfs/dbraw/zinc/37/53/17/668375317.db2.gz AEMSBCAWNFTMJS-QWHCGFSZSA-N 1 3 306.414 0.518 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000926381411 668401390 /nfs/dbraw/zinc/40/13/90/668401390.db2.gz UHLKDPKDPJGKHW-KGLIPLIRSA-N 1 3 310.442 0.125 20 0 DCADHO COc1cccc([C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)N(C)C)c1 ZINC000876709773 668493427 /nfs/dbraw/zinc/49/34/27/668493427.db2.gz ZORVPZQWANQSBR-LSDHHAIUSA-N 1 3 308.426 0.303 20 0 DCADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876717554 668494622 /nfs/dbraw/zinc/49/46/22/668494622.db2.gz DCHRJOIZVKWZMS-KRWDZBQOSA-N 1 3 318.465 0.918 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000876730983 668497724 /nfs/dbraw/zinc/49/77/24/668497724.db2.gz MSGZHVKNXANUKZ-KBUPBQIOSA-N 1 3 315.433 0.940 20 0 DCADHO CN(C)C[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000876738816 668499170 /nfs/dbraw/zinc/49/91/70/668499170.db2.gz BHSSFVAJWVQNGA-AWEZNQCLSA-N 1 3 321.425 0.404 20 0 DCADHO CCN1CCN(CCCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876780997 668509671 /nfs/dbraw/zinc/50/96/71/668509671.db2.gz LOGAJIXNNCASGM-FYCOFBDGSA-N 1 3 308.470 0.686 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000876782641 668510644 /nfs/dbraw/zinc/51/06/44/668510644.db2.gz XXMJTUMFQPRBBD-UKWHNNCRSA-N 1 3 308.470 0.540 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876782443 668510710 /nfs/dbraw/zinc/51/07/10/668510710.db2.gz RCLHTTWJYAZGFQ-QLFBSQMISA-N 1 3 310.486 0.750 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000876901173 668531241 /nfs/dbraw/zinc/53/12/41/668531241.db2.gz AMSMYIGJOHACLF-IUODEOHRSA-N 1 3 317.437 0.968 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876901173 668531244 /nfs/dbraw/zinc/53/12/44/668531244.db2.gz AMSMYIGJOHACLF-IUODEOHRSA-N 1 3 317.437 0.968 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000876901174 668531311 /nfs/dbraw/zinc/53/13/11/668531311.db2.gz AMSMYIGJOHACLF-SWLSCSKDSA-N 1 3 317.437 0.968 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876901174 668531312 /nfs/dbraw/zinc/53/13/12/668531312.db2.gz AMSMYIGJOHACLF-SWLSCSKDSA-N 1 3 317.437 0.968 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)/C=C/[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000876919601 668536180 /nfs/dbraw/zinc/53/61/80/668536180.db2.gz XFAZPQQQTOAYNM-FHTYSXSTSA-N 1 3 318.425 0.456 20 0 DCADHO COC1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877347789 668606285 /nfs/dbraw/zinc/60/62/85/668606285.db2.gz RFTFLOVVTUUAIH-HNNXBMFYSA-N 1 3 303.406 0.586 20 0 DCADHO [NH3+][C@@H](C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1)C1CCCC1 ZINC000923671217 668722338 /nfs/dbraw/zinc/72/23/38/668722338.db2.gz IYCZTBKKZBRLLA-DOMZBBRYSA-N 1 3 315.483 0.908 20 0 DCADHO CON1CC[C@H](N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000930130589 668965106 /nfs/dbraw/zinc/96/51/06/668965106.db2.gz QDOQFRVFJYKGCD-INIZCTEOSA-N 1 3 324.469 0.639 20 0 DCADHO C[C@@H]1CN(C[C@H]2CCC3(COC3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930138162 668967177 /nfs/dbraw/zinc/96/71/77/668967177.db2.gz YKDYXZMFHDWFOK-BRWVUGGUSA-N 1 3 323.481 0.892 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCCN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC000931436578 669203723 /nfs/dbraw/zinc/20/37/23/669203723.db2.gz TUGAFWNCYWLOCE-ZNMIVQPWSA-N 1 3 315.483 0.542 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCCN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC000931436578 669203729 /nfs/dbraw/zinc/20/37/29/669203729.db2.gz TUGAFWNCYWLOCE-ZNMIVQPWSA-N 1 3 315.483 0.542 20 0 DCADHO CC(C)(C)[NH2+]CCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000931539613 669219347 /nfs/dbraw/zinc/21/93/47/669219347.db2.gz SWJCLAVKQAQSFB-CQSZACIVSA-N 1 3 324.469 0.705 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933846570 669541063 /nfs/dbraw/zinc/54/10/63/669541063.db2.gz AIXYWWCACFHDNT-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000883438730 669687879 /nfs/dbraw/zinc/68/78/79/669687879.db2.gz AXTXRSLXRDKGIA-APIJFGDWSA-N 1 3 321.421 0.955 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NOC[C@H]1CCOC1 ZINC000854017042 670517129 /nfs/dbraw/zinc/51/71/29/670517129.db2.gz WOOBQZPQBGMFND-KBPBESRZSA-N 1 3 316.446 0.526 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NOC[C@H]1CCOC1 ZINC000854017042 670517132 /nfs/dbraw/zinc/51/71/32/670517132.db2.gz WOOBQZPQBGMFND-KBPBESRZSA-N 1 3 316.446 0.526 20 0 DCADHO COc1ccc(CCNC(=[NH2+])NC[C@]2(O)CCN(C)C2)cc1 ZINC000849019116 670750695 /nfs/dbraw/zinc/75/06/95/670750695.db2.gz JXIHTTLDZOOYEW-MRXNPFEDSA-N 1 3 306.410 0.418 20 0 DCADHO COC[C@@H](C)NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849274855 670771276 /nfs/dbraw/zinc/77/12/76/670771276.db2.gz AUESNGQKCYSBCJ-QWHCGFSZSA-N 1 3 304.504 0.757 20 0 DCADHO COC[C@@H](C)NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849274855 670771279 /nfs/dbraw/zinc/77/12/79/670771279.db2.gz AUESNGQKCYSBCJ-QWHCGFSZSA-N 1 3 304.504 0.757 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849482112 670810259 /nfs/dbraw/zinc/81/02/59/670810259.db2.gz QEJBZLFATSZYFL-JKSUJKDBSA-N 1 3 321.469 0.913 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000851676789 671010571 /nfs/dbraw/zinc/01/05/71/671010571.db2.gz NLVXYDRAVDEBEY-DZGCQCFKSA-N 1 3 310.442 0.620 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)C1(C)C ZINC000820087205 671164516 /nfs/dbraw/zinc/16/45/16/671164516.db2.gz RZDFHMDXYFACER-KBPBESRZSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)C1(C)C ZINC000820087205 671164521 /nfs/dbraw/zinc/16/45/21/671164521.db2.gz RZDFHMDXYFACER-KBPBESRZSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnsn1 ZINC000823355683 671389442 /nfs/dbraw/zinc/38/94/42/671389442.db2.gz IGDKLGISAYSNNH-JTQLQIEISA-N 1 3 300.432 0.932 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnsn1 ZINC000823355683 671389447 /nfs/dbraw/zinc/38/94/47/671389447.db2.gz IGDKLGISAYSNNH-JTQLQIEISA-N 1 3 300.432 0.932 20 0 DCADHO O=C(NCC1CC[NH+](C2CC2)CC1)c1[nH]nc2c1CNCC2 ZINC000832172470 671706824 /nfs/dbraw/zinc/70/68/24/671706824.db2.gz IFFBOSMLFDRJNG-UHFFFAOYSA-N 1 3 303.410 0.660 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000841050938 671910604 /nfs/dbraw/zinc/91/06/04/671910604.db2.gz KZQBFZMXVKXYPN-ZDUSSCGKSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N1CCCCC1 ZINC000842015377 671973953 /nfs/dbraw/zinc/97/39/53/671973953.db2.gz KCAMFDIEEUFWFH-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CCCCC1 ZINC000842015177 671974184 /nfs/dbraw/zinc/97/41/84/671974184.db2.gz HLOWMWZNJKWDKI-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842016029 671974573 /nfs/dbraw/zinc/97/45/73/671974573.db2.gz QTHOFMOLBGTKCW-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000842015843 671974651 /nfs/dbraw/zinc/97/46/51/671974651.db2.gz OPHWLTRLSHKUNB-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N1CCCCC1 ZINC000842016033 671974902 /nfs/dbraw/zinc/97/49/02/671974902.db2.gz QTRRPCUVIIFGRT-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC([NH3+])CC1)C(=O)N1CCCCC1 ZINC000843355757 672086579 /nfs/dbraw/zinc/08/65/79/672086579.db2.gz WMIHZAZGVOWFBH-WLYUNCDWSA-N 1 3 324.469 0.705 20 0 DCADHO CN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000844954054 672212166 /nfs/dbraw/zinc/21/21/66/672212166.db2.gz OBTGXOGOTZTYRR-HOTGVXAUSA-N 1 3 324.469 0.977 20 0 DCADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000846144220 672297095 /nfs/dbraw/zinc/29/70/95/672297095.db2.gz ILNAZPSLHANWBD-IVSAIRAKSA-N 1 3 322.453 0.620 20 0 DCADHO CC(C)C[C@@H]([NH3+])CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001649028979 1158496406 /nfs/dbraw/zinc/49/64/06/1158496406.db2.gz MQESHECATSXDIN-CYBMUJFWSA-N 1 3 300.447 0.228 20 0 DCADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1[nH]nc2c1CNCC2 ZINC000417844735 685279385 /nfs/dbraw/zinc/27/93/85/685279385.db2.gz XEDBEQMMFJCEEM-SWLSCSKDSA-N 1 3 311.389 0.541 20 0 DCADHO O=C(CC[NH2+]CC1CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000870881556 685389852 /nfs/dbraw/zinc/38/98/52/685389852.db2.gz ZEZNAUJOKJGHPF-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO CN1CCN(C2CC[NH+](CCOC[C@H]3CCCO3)CC2)CC1 ZINC000879592027 685398925 /nfs/dbraw/zinc/39/89/25/685398925.db2.gz CGHJOSGDTQEFQS-QGZVFWFLSA-N 1 3 311.470 0.894 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cn1 ZINC001024901319 693844915 /nfs/dbraw/zinc/84/49/15/693844915.db2.gz STMWMYCLYPMRRB-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000066245629 685065876 /nfs/dbraw/zinc/06/58/76/685065876.db2.gz ZBMWXSBUSXSCQE-LSDHHAIUSA-N 1 3 311.474 0.343 20 0 DCADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CCO ZINC001037950038 693973354 /nfs/dbraw/zinc/97/33/54/693973354.db2.gz NRIJWLZLHSKYMF-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000954662111 686092018 /nfs/dbraw/zinc/09/20/18/686092018.db2.gz VIHIMRUXJWHEKF-HNNXBMFYSA-N 1 3 324.469 0.338 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+]1CC1CCC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001038534367 694108976 /nfs/dbraw/zinc/10/89/76/694108976.db2.gz GTWRFAGGYKZAHR-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@H]1CC[N@H+]1CC1CCC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001038534367 694108979 /nfs/dbraw/zinc/10/89/79/694108979.db2.gz GTWRFAGGYKZAHR-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccnn1C ZINC000959924025 688262557 /nfs/dbraw/zinc/26/25/57/688262557.db2.gz HXMAUYHVMKFFBD-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC000960089106 688296791 /nfs/dbraw/zinc/29/67/91/688296791.db2.gz CBEMJYFKQQGURP-RRFJBIMHSA-N 1 3 322.453 0.282 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000960220806 688327728 /nfs/dbraw/zinc/32/77/28/688327728.db2.gz YWSZCPYJHRHWAE-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000960220806 688327729 /nfs/dbraw/zinc/32/77/29/688327729.db2.gz YWSZCPYJHRHWAE-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961286777 688588238 /nfs/dbraw/zinc/58/82/38/688588238.db2.gz YKIOLUXXBJXIMI-VCAPWORMSA-N 1 3 305.422 0.304 20 0 DCADHO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961286777 688588241 /nfs/dbraw/zinc/58/82/41/688588241.db2.gz YKIOLUXXBJXIMI-VCAPWORMSA-N 1 3 305.422 0.304 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961950428 688775561 /nfs/dbraw/zinc/77/55/61/688775561.db2.gz XLRUUYMODWGIJQ-XUWVNRHRSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000961950428 688775565 /nfs/dbraw/zinc/77/55/65/688775565.db2.gz XLRUUYMODWGIJQ-XUWVNRHRSA-N 1 3 309.454 0.678 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038932635 694245211 /nfs/dbraw/zinc/24/52/11/694245211.db2.gz AGQJTEBPPVSKSV-STQMWFEESA-N 1 3 306.410 0.987 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001038932635 694245214 /nfs/dbraw/zinc/24/52/14/694245214.db2.gz AGQJTEBPPVSKSV-STQMWFEESA-N 1 3 306.410 0.987 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160733 694315555 /nfs/dbraw/zinc/31/55/55/694315555.db2.gz DNUGEWZSWRKTOC-HIFRSBDPSA-N 1 3 320.437 0.894 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160733 694315557 /nfs/dbraw/zinc/31/55/57/694315557.db2.gz DNUGEWZSWRKTOC-HIFRSBDPSA-N 1 3 320.437 0.894 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967923657 690122605 /nfs/dbraw/zinc/12/26/05/690122605.db2.gz AMTIMQVLUHEAFH-HUUCEWRRSA-N 1 3 305.426 0.513 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000967923693 690123116 /nfs/dbraw/zinc/12/31/16/690123116.db2.gz BBBZHOMPSFOOSE-TZMCWYRMSA-N 1 3 308.451 0.970 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968645021 690353386 /nfs/dbraw/zinc/35/33/86/690353386.db2.gz KDPKIGOUDIOAIS-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968645021 690353389 /nfs/dbraw/zinc/35/33/89/690353389.db2.gz KDPKIGOUDIOAIS-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC000968725656 690379530 /nfs/dbraw/zinc/37/95/30/690379530.db2.gz ZEBIFJGWEQIUEH-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC000968725656 690379534 /nfs/dbraw/zinc/37/95/34/690379534.db2.gz ZEBIFJGWEQIUEH-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000968851243 690405229 /nfs/dbraw/zinc/40/52/29/690405229.db2.gz PNAWAPKFVYHADK-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000968851243 690405231 /nfs/dbraw/zinc/40/52/31/690405231.db2.gz PNAWAPKFVYHADK-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000968967436 690437889 /nfs/dbraw/zinc/43/78/89/690437889.db2.gz OQDXISAVJSVSTG-KGLIPLIRSA-N 1 3 320.441 0.678 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000968967436 690437894 /nfs/dbraw/zinc/43/78/94/690437894.db2.gz OQDXISAVJSVSTG-KGLIPLIRSA-N 1 3 320.441 0.678 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000968967420 690438167 /nfs/dbraw/zinc/43/81/67/690438167.db2.gz ODAXXXJRSNGDMF-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000968967420 690438169 /nfs/dbraw/zinc/43/81/69/690438169.db2.gz ODAXXXJRSNGDMF-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC000969077137 690464826 /nfs/dbraw/zinc/46/48/26/690464826.db2.gz LJBOXVVTSNKGAH-HZSPNIEDSA-N 1 3 320.441 0.296 20 0 DCADHO C[C@@H](O)CN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008830479 690932012 /nfs/dbraw/zinc/93/20/12/690932012.db2.gz XXSWPPCLDYHVKW-HIFRSBDPSA-N 1 3 323.441 0.020 20 0 DCADHO COC[C@H](C)N1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826815 692458293 /nfs/dbraw/zinc/45/82/93/692458293.db2.gz JJDIPFOPHBJAQQ-ZFWWWQNUSA-N 1 3 323.441 0.284 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015999369 692541482 /nfs/dbraw/zinc/54/14/82/692541482.db2.gz URGWGJXDMPJPNA-GJZGRUSLSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015999369 692541485 /nfs/dbraw/zinc/54/14/85/692541485.db2.gz URGWGJXDMPJPNA-GJZGRUSLSA-N 1 3 319.453 0.495 20 0 DCADHO Cc1nc(C)n(CCN2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001016251421 692617240 /nfs/dbraw/zinc/61/72/40/692617240.db2.gz LSJMZBDWAXVLBJ-HNNXBMFYSA-N 1 3 320.441 0.181 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018938478 693288961 /nfs/dbraw/zinc/28/89/61/693288961.db2.gz PVOXCQLKWQYXSK-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018938478 693288965 /nfs/dbraw/zinc/28/89/65/693288965.db2.gz PVOXCQLKWQYXSK-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2ccnn2C)C1)[NH+](C)C ZINC001019342996 693439580 /nfs/dbraw/zinc/43/95/80/693439580.db2.gz SGMWYLCRTPJFPP-DZGCQCFKSA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072678842 694651619 /nfs/dbraw/zinc/65/16/19/694651619.db2.gz AEIBUHSIUJUCTJ-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)cn1 ZINC001074565103 694908527 /nfs/dbraw/zinc/90/85/27/694908527.db2.gz SYCMJZXKWRLGAN-VBNZEHGJSA-N 1 3 317.437 0.958 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)[C@@H]1C)N(C)C ZINC001074885649 694928539 /nfs/dbraw/zinc/92/85/39/694928539.db2.gz QCDOLDDVHWOHDV-BPUTZDHNSA-N 1 3 321.469 0.882 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075881186 694983332 /nfs/dbraw/zinc/98/33/32/694983332.db2.gz HRAZEQOSFCAZSH-ARFHVFGLSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075881186 694983333 /nfs/dbraw/zinc/98/33/33/694983333.db2.gz HRAZEQOSFCAZSH-ARFHVFGLSA-N 1 3 309.454 0.774 20 0 DCADHO CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070649 694996980 /nfs/dbraw/zinc/99/69/80/694996980.db2.gz UAFQBJRLZTXCLS-HJTLVLNNSA-N 1 3 305.422 0.402 20 0 DCADHO CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070649 694996981 /nfs/dbraw/zinc/99/69/81/694996981.db2.gz UAFQBJRLZTXCLS-HJTLVLNNSA-N 1 3 305.422 0.402 20 0 DCADHO Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001076805923 695059317 /nfs/dbraw/zinc/05/93/17/695059317.db2.gz YMGHMYGOXSCARZ-BRWVUGGUSA-N 1 3 317.433 0.751 20 0 DCADHO Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805923 695059319 /nfs/dbraw/zinc/05/93/19/695059319.db2.gz YMGHMYGOXSCARZ-BRWVUGGUSA-N 1 3 317.433 0.751 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001571182158 1162679578 /nfs/dbraw/zinc/67/95/78/1162679578.db2.gz YHFIMCXZPGZJBJ-RBSFLKMASA-N 1 3 307.442 0.708 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCF ZINC001571580269 1162823964 /nfs/dbraw/zinc/82/39/64/1162823964.db2.gz MUFOTFZQRGGNTP-ZIAGYGMSSA-N 1 3 303.422 0.628 20 0 DCADHO CN(CCNC/C=C\Cl)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001691324898 1157643271 /nfs/dbraw/zinc/64/32/71/1157643271.db2.gz ZWBRJYCGHCYHRW-XQRVVYSFSA-N 1 3 313.833 0.859 20 0 DCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCF ZINC001691766302 1157934569 /nfs/dbraw/zinc/93/45/69/1157934569.db2.gz TVMOWXYAIKKGCW-TZMCWYRMSA-N 1 3 312.389 0.765 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001648964986 1158192081 /nfs/dbraw/zinc/19/20/81/1158192081.db2.gz WXVCTDUSXUQEHB-GOEBONIOSA-N 1 3 311.470 0.927 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001649088217 1158636183 /nfs/dbraw/zinc/63/61/83/1158636183.db2.gz JYFHPZOMNJUQIX-JKSUJKDBSA-N 1 3 304.438 0.643 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001442104121 1159287012 /nfs/dbraw/zinc/28/70/12/1159287012.db2.gz WPEGDHGFPXSHQI-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001443923272 1159290364 /nfs/dbraw/zinc/29/03/64/1159290364.db2.gz YFINQFKCYYPVIW-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001540430669 1159799687 /nfs/dbraw/zinc/79/96/87/1159799687.db2.gz ULTADXAZLIOUPH-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001567088270 1160236186 /nfs/dbraw/zinc/23/61/86/1160236186.db2.gz JFEVGFBTXZVONA-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nccnc1CNCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699370 1160741142 /nfs/dbraw/zinc/74/11/42/1160741142.db2.gz QLQRGHSTOZITTO-CYBMUJFWSA-N 1 3 317.437 0.865 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccnn2C)C1 ZINC001569240019 1160990049 /nfs/dbraw/zinc/99/00/49/1160990049.db2.gz QMAKFICCRLUBAO-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001569551396 1161108670 /nfs/dbraw/zinc/10/86/70/1161108670.db2.gz HRZWNCNUHIRQDH-JKSUJKDBSA-N 1 3 319.453 0.637 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N(CCO)CCNC/C=C/Cl ZINC001569932740 1161329427 /nfs/dbraw/zinc/32/94/27/1161329427.db2.gz AYCSENFFEVLFOO-KHZFFFCDSA-N 1 3 315.845 0.491 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001569968094 1161357552 /nfs/dbraw/zinc/35/75/52/1161357552.db2.gz BQUMFUGVZDNWMS-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO O=C([C@H]1C[C@@H](F)CN1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001574428693 1163721871 /nfs/dbraw/zinc/72/18/71/1163721871.db2.gz WIBWBFPLMIWNFC-ZIAGYGMSSA-N 1 3 313.417 0.526 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001575333276 1163979837 /nfs/dbraw/zinc/97/98/37/1163979837.db2.gz MNNCNJWLZJGETD-CQSZACIVSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575962012 1164194562 /nfs/dbraw/zinc/19/45/62/1164194562.db2.gz IRFFEGKGUXHXAF-KBXIAJHMSA-N 1 3 309.458 0.205 20 0 DCADHO C[C@]1(CN[C@H]2CCCN(CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC001576519900 1164377430 /nfs/dbraw/zinc/37/74/30/1164377430.db2.gz VSJUCCVVRZZYLF-ROUUACIJSA-N 1 3 324.513 0.762 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC1CC[NH2+]CC1 ZINC001576574574 1164400104 /nfs/dbraw/zinc/40/01/04/1164400104.db2.gz UYZJHSLAQQRFJO-ZDUSSCGKSA-N 1 3 310.442 0.345 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001576651434 1164423842 /nfs/dbraw/zinc/42/38/42/1164423842.db2.gz ZNTOVJPRXGWCHG-MJBXVCDLSA-N 1 3 323.437 0.661 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[C@@H](C)CN1 ZINC001576772799 1164459585 /nfs/dbraw/zinc/45/95/85/1164459585.db2.gz RWNMTNRHEDTWQN-VNHYZAJKSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[C@@H](C)CN1 ZINC001576772799 1164459588 /nfs/dbraw/zinc/45/95/88/1164459588.db2.gz RWNMTNRHEDTWQN-VNHYZAJKSA-N 1 3 310.442 0.632 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CCN(Cc3c[nH]nn3)C2)C1 ZINC001576884091 1164515634 /nfs/dbraw/zinc/51/56/34/1164515634.db2.gz QURLXCPOKGJUDT-ZIAGYGMSSA-N 1 3 320.441 0.475 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC[C@@H]2CCN(Cc3c[nH]nn3)C2)C1 ZINC001576884091 1164515638 /nfs/dbraw/zinc/51/56/38/1164515638.db2.gz QURLXCPOKGJUDT-ZIAGYGMSSA-N 1 3 320.441 0.475 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCc1c[nH]nn1)C1CC1 ZINC001576907589 1164527042 /nfs/dbraw/zinc/52/70/42/1164527042.db2.gz QPDHAHIQOCGFDV-GJZGRUSLSA-N 1 3 320.441 0.664 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCc1c[nH]nn1)C1CC1 ZINC001576907589 1164527048 /nfs/dbraw/zinc/52/70/48/1164527048.db2.gz QPDHAHIQOCGFDV-GJZGRUSLSA-N 1 3 320.441 0.664 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCc1c[nH]nn1)C1CC1 ZINC001576907593 1164527580 /nfs/dbraw/zinc/52/75/80/1164527580.db2.gz QPDHAHIQOCGFDV-LSDHHAIUSA-N 1 3 320.441 0.664 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCc1c[nH]nn1)C1CC1 ZINC001576907593 1164527588 /nfs/dbraw/zinc/52/75/88/1164527588.db2.gz QPDHAHIQOCGFDV-LSDHHAIUSA-N 1 3 320.441 0.664 20 0 DCADHO CC[C@H](CNC(=O)C[C@H](O)C[NH3+])N1CCc2ccccc2C1 ZINC001577086580 1164599919 /nfs/dbraw/zinc/59/99/19/1164599919.db2.gz YNETVWFPUZKKEJ-CVEARBPZSA-N 1 3 305.422 0.649 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)N2CCN[C@@H]3C[C@@H]32)CC1 ZINC001577778227 1164791376 /nfs/dbraw/zinc/79/13/76/1164791376.db2.gz NLFOJIQXIXFQSA-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO CCc1nnc(N2CC[NH2+][C@@H](C)C2)n1CCN1CC=CCC1 ZINC001578326273 1164974900 /nfs/dbraw/zinc/97/49/00/1164974900.db2.gz FAAGZYBDEYIGCC-AWEZNQCLSA-N 1 3 304.442 0.901 20 0 DCADHO C[NH+](C)CCNC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC001578418234 1165007891 /nfs/dbraw/zinc/00/78/91/1165007891.db2.gz AJAGVCIUFKVPJC-UHFFFAOYSA-N 1 3 317.397 0.087 20 0 DCADHO CN1C[C@H]2CCN(C(=O)c3ncoc3C3CC[NH2+]CC3)[C@@H]2C1 ZINC001578523296 1165040638 /nfs/dbraw/zinc/04/06/38/1165040638.db2.gz LAAQRIUHIQVUHP-CHWSQXEVSA-N 1 3 304.394 0.918 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001578528798 1165046093 /nfs/dbraw/zinc/04/60/93/1165046093.db2.gz LNFHALHWRBZCPL-GJZGRUSLSA-N 1 3 309.458 0.160 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001578528800 1165046353 /nfs/dbraw/zinc/04/63/53/1165046353.db2.gz LNFHALHWRBZCPL-HUUCEWRRSA-N 1 3 309.458 0.160 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@H]([NH3+])CC(F)(F)F)CC1 ZINC001578529679 1165047337 /nfs/dbraw/zinc/04/73/37/1165047337.db2.gz XDCOVCGFWAQWJK-NEPJUHHUSA-N 1 3 322.375 0.505 20 0 DCADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC2(O)C[NH2+]C2)cc1 ZINC001579194006 1165234240 /nfs/dbraw/zinc/23/42/40/1165234240.db2.gz JGJLTCGVVPFYEN-CQSZACIVSA-N 1 3 307.394 0.139 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CCN2C2CCOCC2)C[C@H]1CC[NH3+] ZINC001579432706 1165307804 /nfs/dbraw/zinc/30/78/04/1165307804.db2.gz IHMJGBATRXOJOF-IIAWOOMASA-N 1 3 324.469 0.866 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)C1 ZINC001580207459 1165536065 /nfs/dbraw/zinc/53/60/65/1165536065.db2.gz UNFIXHHWVJSIRU-MGPQQGTHSA-N 1 3 310.442 0.065 20 0 DCADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001580652146 1165673813 /nfs/dbraw/zinc/67/38/13/1165673813.db2.gz RWDZMTKTZDSGOA-YSVLISHTSA-N 1 3 307.438 0.746 20 0 DCADHO O=C1O[C@H](CN[C@@]2(CO)CCCc3ccccc32)CC12C[NH2+]C2 ZINC001580858652 1165740621 /nfs/dbraw/zinc/74/06/21/1165740621.db2.gz NFJLTUUOGBILCV-KBXCAEBGSA-N 1 3 316.401 0.705 20 0 DCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001645879765 1172168279 /nfs/dbraw/zinc/16/82/79/1172168279.db2.gz QVEVGSYSEXQDSU-LSDHHAIUSA-N 1 3 304.438 0.656 20 0 DCADHO Cn1ncc(CN)c1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001646117468 1172261656 /nfs/dbraw/zinc/26/16/56/1172261656.db2.gz SVOXSCRWUHRHLP-AWEZNQCLSA-N 1 3 321.425 0.252 20 0 DCADHO C[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C[C@@H](O)C[NH2+]1 ZINC001646741369 1172503538 /nfs/dbraw/zinc/50/35/38/1172503538.db2.gz BSXPCZNDLCJMBB-LZLYRXPVSA-N 1 3 317.433 0.880 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001646747726 1172508162 /nfs/dbraw/zinc/50/81/62/1172508162.db2.gz IWHFYHALCAIEQA-WBMJQRKESA-N 1 3 303.410 0.892 20 0 DCADHO CN(C)CCN(C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CCCC1 ZINC001646751354 1172510223 /nfs/dbraw/zinc/51/02/23/1172510223.db2.gz KABXLRGMXHAJEA-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO COC(=O)NC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC001647284338 1172783546 /nfs/dbraw/zinc/78/35/46/1172783546.db2.gz GEQHAAHXUIAYBC-LBPRGKRZSA-N 1 3 312.414 0.004 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001647583830 1172982614 /nfs/dbraw/zinc/98/26/14/1172982614.db2.gz YLJVAOKVKZTYBP-DZGCQCFKSA-N 1 3 324.469 0.879 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001649282429 1173085674 /nfs/dbraw/zinc/08/56/74/1173085674.db2.gz MHLVSEUSNPJTNA-JSGCOSHPSA-N 1 3 308.430 0.125 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001649282429 1173085681 /nfs/dbraw/zinc/08/56/81/1173085681.db2.gz MHLVSEUSNPJTNA-JSGCOSHPSA-N 1 3 308.430 0.125 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001649879090 1173279116 /nfs/dbraw/zinc/27/91/16/1173279116.db2.gz BXYIDLNMDABHQI-JQWIXIFHSA-N 1 3 322.413 0.123 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001649879090 1173279119 /nfs/dbraw/zinc/27/91/19/1173279119.db2.gz BXYIDLNMDABHQI-JQWIXIFHSA-N 1 3 322.413 0.123 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001649879089 1173279229 /nfs/dbraw/zinc/27/92/29/1173279229.db2.gz BXYIDLNMDABHQI-CMPLNLGQSA-N 1 3 322.413 0.123 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001649879089 1173279230 /nfs/dbraw/zinc/27/92/30/1173279230.db2.gz BXYIDLNMDABHQI-CMPLNLGQSA-N 1 3 322.413 0.123 20 0 DCADHO C[C@H]1C[C@H](NCCc2nnc3c(=O)n(C)ccn23)CC[N@@H+]1C ZINC001649990157 1173362343 /nfs/dbraw/zinc/36/23/43/1173362343.db2.gz XHZVYYSWIFANPY-NWDGAFQWSA-N 1 3 304.398 0.043 20 0 DCADHO C[C@H]1C[C@H](NCCc2nnc3c(=O)n(C)ccn23)CC[N@H+]1C ZINC001649990157 1173362349 /nfs/dbraw/zinc/36/23/49/1173362349.db2.gz XHZVYYSWIFANPY-NWDGAFQWSA-N 1 3 304.398 0.043 20 0 DCADHO N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001650352384 1173587845 /nfs/dbraw/zinc/58/78/45/1173587845.db2.gz AGVGHPZLRCPLRY-KGLIPLIRSA-N 1 3 302.378 0.142 20 0 DCADHO N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001650352383 1173587953 /nfs/dbraw/zinc/58/79/53/1173587953.db2.gz AGVGHPZLRCPLRY-KBPBESRZSA-N 1 3 302.378 0.142 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1(C)C ZINC001650415809 1173629437 /nfs/dbraw/zinc/62/94/37/1173629437.db2.gz PEGGEBRLZFSYKF-NSNWQYSKSA-N 1 3 309.454 0.929 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1(C)C ZINC001650415809 1173629442 /nfs/dbraw/zinc/62/94/42/1173629442.db2.gz PEGGEBRLZFSYKF-NSNWQYSKSA-N 1 3 309.454 0.929 20 0 DCADHO Cn1ncc(CN)c1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001650440561 1173642073 /nfs/dbraw/zinc/64/20/73/1173642073.db2.gz ZQYIKONFYZDFKA-UHFFFAOYSA-N 1 3 314.393 0.673 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001664299003 1174419368 /nfs/dbraw/zinc/41/93/68/1174419368.db2.gz OZRNLNXIEYREIL-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309684 1174420710 /nfs/dbraw/zinc/42/07/10/1174420710.db2.gz YVASXNRNZIZLCL-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCOCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001666837392 1174637909 /nfs/dbraw/zinc/63/79/09/1174637909.db2.gz CQAYMAXXGQOMEP-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CCOCCN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001666837392 1174637914 /nfs/dbraw/zinc/63/79/14/1174637914.db2.gz CQAYMAXXGQOMEP-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CN1CCC[C@H](NC/C=C/CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001669001306 1174875422 /nfs/dbraw/zinc/87/54/22/1174875422.db2.gz OSWRCPDNIJKPEI-NNTXTVRGSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001670095241 1174981630 /nfs/dbraw/zinc/98/16/30/1174981630.db2.gz DIWLJKFCTHSGOT-HNNXBMFYSA-N 1 3 320.441 0.095 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001672762307 1175150419 /nfs/dbraw/zinc/15/04/19/1175150419.db2.gz VVLMDQDVLRFPHE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]C/C=C\Cl)C2)C1 ZINC001673310362 1175189747 /nfs/dbraw/zinc/18/97/47/1175189747.db2.gz JKIJDEKGVBZDEV-GMNQABRKSA-N 1 3 315.845 0.898 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001686746247 1176210361 /nfs/dbraw/zinc/21/03/61/1176210361.db2.gz MQBQUAMUPGNYEM-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CC[C@@H](N(CCCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)C1=O ZINC001690014502 1177143684 /nfs/dbraw/zinc/14/36/84/1177143684.db2.gz GBHIYRGJHSYDHE-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CC[C@@H](N(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)C1=O ZINC001690014502 1177143687 /nfs/dbraw/zinc/14/36/87/1177143687.db2.gz GBHIYRGJHSYDHE-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001692136267 1177423611 /nfs/dbraw/zinc/42/36/11/1177423611.db2.gz PLDXVBXFAOUYSL-GFCCVEGCSA-N 1 3 321.425 0.640 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001692136267 1177423614 /nfs/dbraw/zinc/42/36/14/1177423614.db2.gz PLDXVBXFAOUYSL-GFCCVEGCSA-N 1 3 321.425 0.640 20 0 DCADHO Cc1nnsc1CNCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699148689 1177895048 /nfs/dbraw/zinc/89/50/48/1177895048.db2.gz VOSWFCLBDZQQEH-NSHDSACASA-N 1 3 323.466 0.927 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001699432623 1178136016 /nfs/dbraw/zinc/13/60/16/1178136016.db2.gz ASICRFQPPXBENC-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO COc1cncc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001699551201 1178196181 /nfs/dbraw/zinc/19/61/81/1178196181.db2.gz PYTIPYTYYYAHKE-ZDUSSCGKSA-N 1 3 321.425 0.375 20 0 DCADHO COc1cncc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001699551201 1178196184 /nfs/dbraw/zinc/19/61/84/1178196184.db2.gz PYTIPYTYYYAHKE-ZDUSSCGKSA-N 1 3 321.425 0.375 20 0 DCADHO Cn1cc(CC[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)cn1 ZINC001699760553 1178278603 /nfs/dbraw/zinc/27/86/03/1178278603.db2.gz MJGXWOHULKNRLN-HNNXBMFYSA-N 1 3 316.409 0.509 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001700617586 1178681213 /nfs/dbraw/zinc/68/12/13/1178681213.db2.gz SMSSTOMOJXGBDE-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCF)N1CCCCCC1 ZINC001700809318 1178759342 /nfs/dbraw/zinc/75/93/42/1178759342.db2.gz VLESBZPKBCWAHA-UONOGXRCSA-N 1 3 303.422 0.677 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)n[nH]1 ZINC001700853104 1178778987 /nfs/dbraw/zinc/77/89/87/1178778987.db2.gz YTIDETMGOUYHDQ-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNC(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001703231566 1179409132 /nfs/dbraw/zinc/40/91/32/1179409132.db2.gz SSGVERJTMSOCMZ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNC(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001703231566 1179409139 /nfs/dbraw/zinc/40/91/39/1179409139.db2.gz SSGVERJTMSOCMZ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NCCNC(=O)C12CC[NH+](CC1)C2)CC(C)(C)C ZINC001703270504 1179434566 /nfs/dbraw/zinc/43/45/66/1179434566.db2.gz DHSJWFUYIKODCF-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CCN1CC[C@@H]([N@H+](CC)CCCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001713009374 1180620724 /nfs/dbraw/zinc/62/07/24/1180620724.db2.gz YLBCGNZLIPQMLV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H]([N@@H+](CC)CCCNC(=O)[C@@H]2CCCN2C)C1=O ZINC001713009374 1180620729 /nfs/dbraw/zinc/62/07/29/1180620729.db2.gz YLBCGNZLIPQMLV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)C[NH+]1CCN(CCCNC(=O)[C@H]2CCCN2C)CC1 ZINC001713071130 1180662812 /nfs/dbraw/zinc/66/28/12/1180662812.db2.gz ZAZCDZIUWNJLJM-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCOC[C@H]1CCCO1 ZINC001714572530 1181422575 /nfs/dbraw/zinc/42/25/75/1181422575.db2.gz DERACHTYFJBSGM-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCOC[C@H]1CCCO1 ZINC001714572530 1181422579 /nfs/dbraw/zinc/42/25/79/1181422579.db2.gz DERACHTYFJBSGM-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO CCn1cc(CC[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001714689300 1181481523 /nfs/dbraw/zinc/48/15/23/1181481523.db2.gz CRGFBFATUMYUNW-HNNXBMFYSA-N 1 3 307.442 0.588 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001714749236 1181522286 /nfs/dbraw/zinc/52/22/86/1181522286.db2.gz RREVUWQOBKLIBY-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001715177340 1181707464 /nfs/dbraw/zinc/70/74/64/1181707464.db2.gz HQKLYBARSLIYEV-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001715338161 1181779523 /nfs/dbraw/zinc/77/95/23/1181779523.db2.gz MZXRVTWBOJJWOQ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001715798079 1182007789 /nfs/dbraw/zinc/00/77/89/1182007789.db2.gz JEPVKTKRJNCPCN-ABCZVMIZSA-N 1 3 318.421 0.242 20 0 DCADHO Cc1noc(CCC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)n1 ZINC001715797344 1182008038 /nfs/dbraw/zinc/00/80/38/1182008038.db2.gz FZIUITADJHVGOR-NQHOJNORSA-N 1 3 321.425 0.667 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715854318 1182052715 /nfs/dbraw/zinc/05/27/15/1182052715.db2.gz RMCNUROWGWNPBD-SZZPACECSA-N 1 3 310.442 0.257 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)Cc1c[nH]cn1 ZINC001716241822 1182273104 /nfs/dbraw/zinc/27/31/04/1182273104.db2.gz FKHSUCNMWYQCKH-UHFFFAOYSA-N 1 3 304.398 0.367 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCn2cncn2)CCC1 ZINC001723905361 1184361024 /nfs/dbraw/zinc/36/10/24/1184361024.db2.gz FNUAYEQQLUESPV-AWEZNQCLSA-N 1 3 320.441 0.343 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001724826626 1184579060 /nfs/dbraw/zinc/57/90/60/1184579060.db2.gz PBAWPXURVFMUIK-HNNXBMFYSA-N 1 3 323.441 0.040 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001731942750 1185596159 /nfs/dbraw/zinc/59/61/59/1185596159.db2.gz ABPCRKNKCCWPNP-OAHLLOKOSA-N 1 3 320.437 0.674 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnnn1C)N(C)C ZINC001732747814 1185947651 /nfs/dbraw/zinc/94/76/51/1185947651.db2.gz WOBLTKSDFKUSKS-OCCSQVGLSA-N 1 3 310.446 0.386 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2cnn(C)c2)CCC1 ZINC001733105910 1186141262 /nfs/dbraw/zinc/14/12/62/1186141262.db2.gz IUZWLLPEFIMLJL-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cnn(C)c1)N(C)C ZINC001733124895 1186151325 /nfs/dbraw/zinc/15/13/25/1186151325.db2.gz VDVBDCIJQBULOJ-OAHLLOKOSA-N 1 3 309.458 0.944 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001733129153 1186153260 /nfs/dbraw/zinc/15/32/60/1186153260.db2.gz SJIQJOYEGXXMMA-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CN(CCCNCc1cc2n(n1)CCC2)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001733144237 1186161575 /nfs/dbraw/zinc/16/15/75/1186161575.db2.gz TUGBQPITIXEFQC-CQSZACIVSA-N 1 3 319.453 0.719 20 0 DCADHO CN(CCCNCc1cc2n(n1)CCC2)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001733144237 1186161578 /nfs/dbraw/zinc/16/15/78/1186161578.db2.gz TUGBQPITIXEFQC-CQSZACIVSA-N 1 3 319.453 0.719 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCOCCO)[C@H](C)C1 ZINC001733902781 1186492383 /nfs/dbraw/zinc/49/23/83/1186492383.db2.gz SZGDKMPIMDQHQR-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCOCCO)[C@H](C)C1 ZINC001733902781 1186492390 /nfs/dbraw/zinc/49/23/90/1186492390.db2.gz SZGDKMPIMDQHQR-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001736750787 1187085446 /nfs/dbraw/zinc/08/54/46/1187085446.db2.gz ZXOLEXKRIFPWCI-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001736750787 1187085451 /nfs/dbraw/zinc/08/54/51/1187085451.db2.gz ZXOLEXKRIFPWCI-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001738528281 1187583449 /nfs/dbraw/zinc/58/34/49/1187583449.db2.gz VURLQXAHSSNJAB-WAYWQWQTSA-N 1 3 324.469 0.457 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001752686949 1188433822 /nfs/dbraw/zinc/43/38/22/1188433822.db2.gz FYAPEENKFUHPCB-RBSFLKMASA-N 1 3 313.442 0.107 20 0 DCADHO COCCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001753115122 1188504149 /nfs/dbraw/zinc/50/41/49/1188504149.db2.gz JZTIIFXSFBOPFY-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753115122 1188504153 /nfs/dbraw/zinc/50/41/53/1188504153.db2.gz JZTIIFXSFBOPFY-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753967423 1188699217 /nfs/dbraw/zinc/69/92/17/1188699217.db2.gz TWFFFMYVPLPSFM-DMDPSCGWSA-N 1 3 311.455 0.863 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753967423 1188699218 /nfs/dbraw/zinc/69/92/18/1188699218.db2.gz TWFFFMYVPLPSFM-DMDPSCGWSA-N 1 3 311.455 0.863 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001755015005 1188996693 /nfs/dbraw/zinc/99/66/93/1188996693.db2.gz WPRZOEADUYTHKW-ZFDPJTLLSA-N 1 3 303.834 0.898 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]CCn1cccn1)C1CC1 ZINC001755567546 1189149365 /nfs/dbraw/zinc/14/93/65/1189149365.db2.gz QJWJCSSUZUKUMG-HNNXBMFYSA-N 1 3 316.409 0.676 20 0 DCADHO O=C(C1C[NH2+]C1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404134668 1190187863 /nfs/dbraw/zinc/18/78/63/1190187863.db2.gz BTHJISHMYJDHQD-IRXDYDNUSA-N 1 3 315.417 0.708 20 0 DCADHO CN1CC[C@]2(CCN(S(=O)(=O)CC3CC[NH2+]CC3)C2)C1 ZINC000313063105 1190395269 /nfs/dbraw/zinc/39/52/69/1190395269.db2.gz UMFBLZLSNRVKNJ-AWEZNQCLSA-N 1 3 301.456 0.343 20 0 DCADHO CN1CC[C@@H]1CNC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001772038662 1190596874 /nfs/dbraw/zinc/59/68/74/1190596874.db2.gz DXTFZTIFXPNJQX-CQSZACIVSA-N 1 3 302.422 0.872 20 0 DCADHO COC1CCN(CCNC(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001772067185 1190603067 /nfs/dbraw/zinc/60/30/67/1190603067.db2.gz RRTBAEBZHQASHK-ZIAGYGMSSA-N 1 3 312.458 0.642 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC001772067020 1190603214 /nfs/dbraw/zinc/60/32/14/1190603214.db2.gz MJDFBQPNVRKHNB-KFWWJZLASA-N 1 3 312.458 0.378 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001772249292 1190642294 /nfs/dbraw/zinc/64/22/94/1190642294.db2.gz ANADXPWWYUVRFP-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001772387531 1190671467 /nfs/dbraw/zinc/67/14/67/1190671467.db2.gz RMMIFHCFFWSWTR-MELADBBJSA-N 1 3 320.441 0.906 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001772387531 1190671469 /nfs/dbraw/zinc/67/14/69/1190671469.db2.gz RMMIFHCFFWSWTR-MELADBBJSA-N 1 3 320.441 0.906 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480774 751415250 /nfs/dbraw/zinc/41/52/50/751415250.db2.gz LKZRIMOVGSKGFJ-HUUCEWRRSA-N 1 3 322.453 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1 ZINC001106906147 751514707 /nfs/dbraw/zinc/51/47/07/751514707.db2.gz ZKAWNDHBLIJOTP-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N1CCCCC1 ZINC001127643597 751601742 /nfs/dbraw/zinc/60/17/42/751601742.db2.gz CFGGIVOBGSCPEU-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N1CCCCC1 ZINC001127643597 751601747 /nfs/dbraw/zinc/60/17/47/751601747.db2.gz CFGGIVOBGSCPEU-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CCCCC2)CC[N@@H+]1C ZINC001127685852 751629470 /nfs/dbraw/zinc/62/94/70/751629470.db2.gz VVEMCDSWHRWGFS-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NC2CCCCC2)CC[N@H+]1C ZINC001127685852 751629472 /nfs/dbraw/zinc/62/94/72/751629472.db2.gz VVEMCDSWHRWGFS-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778003 752061185 /nfs/dbraw/zinc/06/11/85/752061185.db2.gz BXEWWNLEEACFJV-OLZOCXBDSA-N 1 3 324.450 0.521 20 0 DCADHO Cc1ncsc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778003 752061194 /nfs/dbraw/zinc/06/11/94/752061194.db2.gz BXEWWNLEEACFJV-OLZOCXBDSA-N 1 3 324.450 0.521 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001127780432 752069706 /nfs/dbraw/zinc/06/97/06/752069706.db2.gz YWGYJFNOJWFPCF-HOTGVXAUSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001127780432 752069709 /nfs/dbraw/zinc/06/97/09/752069709.db2.gz YWGYJFNOJWFPCF-HOTGVXAUSA-N 1 3 318.421 0.459 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209444356 746998402 /nfs/dbraw/zinc/99/84/02/746998402.db2.gz FYDRUOUSNDUSBU-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167224430 747025427 /nfs/dbraw/zinc/02/54/27/747025427.db2.gz JSIOWUPNHIIFBR-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001104287865 747097379 /nfs/dbraw/zinc/09/73/79/747097379.db2.gz NTEKGUKKGPVKPU-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO CNCc1cc(N(Cc2ccccc2)C2(C[NH3+])COC2)ncn1 ZINC001167368042 747138156 /nfs/dbraw/zinc/13/81/56/747138156.db2.gz KGYTUNHRDJFDIT-UHFFFAOYSA-N 1 3 313.405 0.930 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001104322371 747205832 /nfs/dbraw/zinc/20/58/32/747205832.db2.gz FMUBVYNTMWSQRC-NFAWXSAZSA-N 1 3 312.458 0.132 20 0 DCADHO CCN(CC)CC(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C ZINC001067478327 747212075 /nfs/dbraw/zinc/21/20/75/747212075.db2.gz ZFNGYDGHKUMCKI-UHFFFAOYSA-N 1 3 314.474 0.587 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001067463257 747539763 /nfs/dbraw/zinc/53/97/63/747539763.db2.gz WXHSSLYXDYSSHW-ZDUSSCGKSA-N 1 3 321.425 0.211 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001067463257 747539765 /nfs/dbraw/zinc/53/97/65/747539765.db2.gz WXHSSLYXDYSSHW-ZDUSSCGKSA-N 1 3 321.425 0.211 20 0 DCADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C1CCCS1(=O)=O ZINC001143473738 747762338 /nfs/dbraw/zinc/76/23/38/747762338.db2.gz CVDUTXWDKQTDNM-KOLCDFICSA-N 1 3 310.379 0.004 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCO)C2)C1 ZINC001112529830 748318296 /nfs/dbraw/zinc/31/82/96/748318296.db2.gz QXXWKIOWMLKEFR-VYDXJSESSA-N 1 3 309.454 0.539 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1)N(C)C ZINC001088095437 749236297 /nfs/dbraw/zinc/23/62/97/749236297.db2.gz NSSVUAGONBCHLT-OWCLPIDISA-N 1 3 311.470 0.735 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1)N(C)C ZINC001088095437 749236302 /nfs/dbraw/zinc/23/63/02/749236302.db2.gz NSSVUAGONBCHLT-OWCLPIDISA-N 1 3 311.470 0.735 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001086558627 761931409 /nfs/dbraw/zinc/93/14/09/761931409.db2.gz GBCCUUQPQMVKJW-ZQDZILKHSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088105932 749241041 /nfs/dbraw/zinc/24/10/41/749241041.db2.gz IBIMBORHBSWLBR-XHSDSOJGSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088105932 749241050 /nfs/dbraw/zinc/24/10/50/749241050.db2.gz IBIMBORHBSWLBR-XHSDSOJGSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107089 749241793 /nfs/dbraw/zinc/24/17/93/749241793.db2.gz GLIJOZSQWLLWLD-OAGGEKHMSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107089 749241794 /nfs/dbraw/zinc/24/17/94/749241794.db2.gz GLIJOZSQWLLWLD-OAGGEKHMSA-N 1 3 323.481 0.879 20 0 DCADHO CS(=O)(=O)CC1(CCNCc2cc(C3C[NH2+]C3)no2)CC1 ZINC001579336381 1165276509 /nfs/dbraw/zinc/27/65/09/1165276509.db2.gz AOMKBOZSGBTXHP-UHFFFAOYSA-N 1 3 313.423 0.666 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757419 749978923 /nfs/dbraw/zinc/97/89/23/749978923.db2.gz YFNNVHDZDNLIIZ-GQGDVANPSA-N 1 3 323.437 0.075 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757419 749978927 /nfs/dbraw/zinc/97/89/27/749978927.db2.gz YFNNVHDZDNLIIZ-GQGDVANPSA-N 1 3 323.437 0.075 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001077131572 750216364 /nfs/dbraw/zinc/21/63/64/750216364.db2.gz GUVYXVJIYPTCCO-IXDOHACOSA-N 1 3 321.465 0.965 20 0 DCADHO O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001077131572 750216370 /nfs/dbraw/zinc/21/63/70/750216370.db2.gz GUVYXVJIYPTCCO-IXDOHACOSA-N 1 3 321.465 0.965 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256548 750945921 /nfs/dbraw/zinc/94/59/21/750945921.db2.gz OXMOZTSFHDAQCV-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256548 750945926 /nfs/dbraw/zinc/94/59/26/750945926.db2.gz OXMOZTSFHDAQCV-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247128 751062864 /nfs/dbraw/zinc/06/28/64/751062864.db2.gz VYJUCNCJQWSBEW-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357393 751196435 /nfs/dbraw/zinc/19/64/35/751196435.db2.gz WCOLYNQZJMQVOT-DZGCQCFKSA-N 1 3 322.453 0.235 20 0 DCADHO O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357393 751196440 /nfs/dbraw/zinc/19/64/40/751196440.db2.gz WCOLYNQZJMQVOT-DZGCQCFKSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCCO ZINC001106798543 751285249 /nfs/dbraw/zinc/28/52/49/751285249.db2.gz KLDLIRDUACYWIM-HZPDHXFCSA-N 1 3 311.470 0.785 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001168595535 752671664 /nfs/dbraw/zinc/67/16/64/752671664.db2.gz KGZOSTJWCQVFHT-UHFFFAOYSA-N 1 3 314.474 0.683 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCOC)C[C@H]21 ZINC001114998965 752697210 /nfs/dbraw/zinc/69/72/10/752697210.db2.gz ZSXXITPJNSWETH-FOLVSLTJSA-N 1 3 313.442 0.038 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCOC)C[C@H]21 ZINC001114998965 752697212 /nfs/dbraw/zinc/69/72/12/752697212.db2.gz ZSXXITPJNSWETH-FOLVSLTJSA-N 1 3 313.442 0.038 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C)N(C)C ZINC001078084077 753027906 /nfs/dbraw/zinc/02/79/06/753027906.db2.gz ZHBVFROJBMCZFJ-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2)N1CCCC1 ZINC001078700020 753342781 /nfs/dbraw/zinc/34/27/81/753342781.db2.gz FLZDHVPTXXESPJ-QWHCGFSZSA-N 1 3 322.453 0.363 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064341 753457438 /nfs/dbraw/zinc/45/74/38/753457438.db2.gz LHSZTQVHKYUDTN-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064341 753457439 /nfs/dbraw/zinc/45/74/39/753457439.db2.gz LHSZTQVHKYUDTN-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082532 753472153 /nfs/dbraw/zinc/47/21/53/753472153.db2.gz TXJYJKVMMUVQTK-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082532 753472156 /nfs/dbraw/zinc/47/21/56/753472156.db2.gz TXJYJKVMMUVQTK-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N[C@@]2(C)CCN(CCO)C2)cc1 ZINC001046619005 753832016 /nfs/dbraw/zinc/83/20/16/753832016.db2.gz LPQFOLXBOPZYQC-SFHVURJKSA-N 1 3 319.449 0.977 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001128773540 754269590 /nfs/dbraw/zinc/26/95/90/754269590.db2.gz AYJURQATXTUDFS-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001128773540 754269594 /nfs/dbraw/zinc/26/95/94/754269594.db2.gz AYJURQATXTUDFS-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CC2=CCCCC2)C[C@@H]1O ZINC001047627579 754445914 /nfs/dbraw/zinc/44/59/14/754445914.db2.gz RPHJPERYJCHTBD-IKGGRYGDSA-N 1 3 321.465 0.942 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(CC2=CCCCC2)C[C@@H]1O ZINC001047627579 754445918 /nfs/dbraw/zinc/44/59/18/754445918.db2.gz RPHJPERYJCHTBD-IKGGRYGDSA-N 1 3 321.465 0.942 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(CC2=CCCCC2)C[C@@H]1O ZINC001047627581 754446064 /nfs/dbraw/zinc/44/60/64/754446064.db2.gz RPHJPERYJCHTBD-ULQDDVLXSA-N 1 3 321.465 0.942 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(CC2=CCCCC2)C[C@@H]1O ZINC001047627581 754446067 /nfs/dbraw/zinc/44/60/67/754446067.db2.gz RPHJPERYJCHTBD-ULQDDVLXSA-N 1 3 321.465 0.942 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001048391851 754735835 /nfs/dbraw/zinc/73/58/35/754735835.db2.gz HQNLXIWPXYQKHN-CHWSQXEVSA-N 1 3 316.409 0.570 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C[NH2+]Cc1cnns1 ZINC001048473989 754767746 /nfs/dbraw/zinc/76/77/46/754767746.db2.gz FMNGWEFOWPJOOM-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057093 755096428 /nfs/dbraw/zinc/09/64/28/755096428.db2.gz LKLWQLMPTSBDLW-YHUYYLMFSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057093 755096431 /nfs/dbraw/zinc/09/64/31/755096431.db2.gz LKLWQLMPTSBDLW-YHUYYLMFSA-N 1 3 309.454 0.896 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001168764345 755673084 /nfs/dbraw/zinc/67/30/84/755673084.db2.gz ZMSARBOKUPFWGA-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564273 755681302 /nfs/dbraw/zinc/68/13/02/755681302.db2.gz AWETXTZOADMNPM-UAEIHBMGSA-N 1 3 319.449 0.981 20 0 DCADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564273 755681305 /nfs/dbraw/zinc/68/13/05/755681305.db2.gz AWETXTZOADMNPM-UAEIHBMGSA-N 1 3 319.449 0.981 20 0 DCADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160861 756117671 /nfs/dbraw/zinc/11/76/71/756117671.db2.gz AYWGBNARZPKRSR-RJZXRHAOSA-N 1 3 307.438 0.696 20 0 DCADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160861 756117674 /nfs/dbraw/zinc/11/76/74/756117674.db2.gz AYWGBNARZPKRSR-RJZXRHAOSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160951 756118215 /nfs/dbraw/zinc/11/82/15/756118215.db2.gz FYASFFAOXNIKEW-RJZXRHAOSA-N 1 3 307.438 0.695 20 0 DCADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160951 756118218 /nfs/dbraw/zinc/11/82/18/756118218.db2.gz FYASFFAOXNIKEW-RJZXRHAOSA-N 1 3 307.438 0.695 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001080444355 756216133 /nfs/dbraw/zinc/21/61/33/756216133.db2.gz JGJLTRBCSCIGBQ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001080455855 756223004 /nfs/dbraw/zinc/22/30/04/756223004.db2.gz AFNZYSUKUBNGBJ-RHSMWYFYSA-N 1 3 319.449 0.833 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001054205403 756406283 /nfs/dbraw/zinc/40/62/83/756406283.db2.gz QJPUEIMDBCFXNK-INIZCTEOSA-N 1 3 306.410 0.649 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001054205403 756406284 /nfs/dbraw/zinc/40/62/84/756406284.db2.gz QJPUEIMDBCFXNK-INIZCTEOSA-N 1 3 306.410 0.649 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001082556855 757185202 /nfs/dbraw/zinc/18/52/02/757185202.db2.gz FTUFDJCKBZVSET-FRRDWIJNSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082559617 757187040 /nfs/dbraw/zinc/18/70/40/757187040.db2.gz KNBLQESFUPIROD-WQVCFCJDSA-N 1 3 319.453 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082740751 757252096 /nfs/dbraw/zinc/25/20/96/757252096.db2.gz FCIRBGIJKWZGEO-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082742070 757253479 /nfs/dbraw/zinc/25/34/79/757253479.db2.gz PWWRJVCXKUOFIY-SQWLQELKSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082784358 757255500 /nfs/dbraw/zinc/25/55/00/757255500.db2.gz RHLQUDCAJWJLLZ-BPLDGKMQSA-N 1 3 322.453 0.043 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082851953 757300730 /nfs/dbraw/zinc/30/07/30/757300730.db2.gz LKQGYEANKROOFW-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082851953 757300741 /nfs/dbraw/zinc/30/07/41/757300741.db2.gz LKQGYEANKROOFW-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)cn1 ZINC001082921049 757330936 /nfs/dbraw/zinc/33/09/36/757330936.db2.gz SCAQMURWMZQDGZ-UHOFOFEASA-N 1 3 317.437 0.673 20 0 DCADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cn1 ZINC001082921049 757330943 /nfs/dbraw/zinc/33/09/43/757330943.db2.gz SCAQMURWMZQDGZ-UHOFOFEASA-N 1 3 317.437 0.673 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001050236439 757526004 /nfs/dbraw/zinc/52/60/04/757526004.db2.gz QNHIFMYOYXYTJK-JSGCOSHPSA-N 1 3 319.409 0.059 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CCCO)CC2)N(C)C ZINC001050651477 757928700 /nfs/dbraw/zinc/92/87/00/757928700.db2.gz LTARBKWKTHFRGA-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2CNCc3ccnn3C2)CC1 ZINC001157729843 762633883 /nfs/dbraw/zinc/63/38/83/762633883.db2.gz IGYWQZJGQSZPLF-DOMZBBRYSA-N 1 3 309.389 0.282 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671032 758848138 /nfs/dbraw/zinc/84/81/38/758848138.db2.gz CNCLGIFZBSEUEF-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CC3CCC3)C2)C1 ZINC001051825816 758972411 /nfs/dbraw/zinc/97/24/11/758972411.db2.gz WLYODMGJDXRMIR-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109198 759185641 /nfs/dbraw/zinc/18/56/41/759185641.db2.gz YHNYMTZBRZHZBE-MRXNPFEDSA-N 1 3 320.481 0.711 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826525 767853708 /nfs/dbraw/zinc/85/37/08/767853708.db2.gz XFPYNXMQRPOVTI-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO COc1ccc(CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001147878104 767870676 /nfs/dbraw/zinc/87/06/76/767870676.db2.gz RXVADTORUCBMGQ-CYBMUJFWSA-N 1 3 306.410 0.638 20 0 DCADHO COc1ccc(CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001147878104 767870681 /nfs/dbraw/zinc/87/06/81/767870681.db2.gz RXVADTORUCBMGQ-CYBMUJFWSA-N 1 3 306.410 0.638 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001147877866 767871663 /nfs/dbraw/zinc/87/16/63/767871663.db2.gz OIPNRGOMBJHVGJ-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001147877866 767871667 /nfs/dbraw/zinc/87/16/67/767871667.db2.gz OIPNRGOMBJHVGJ-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO COCCN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124469 760437907 /nfs/dbraw/zinc/43/79/07/760437907.db2.gz ILBFNTFEIBNQLD-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)CO1 ZINC001169373065 760658099 /nfs/dbraw/zinc/65/80/99/760658099.db2.gz NWVYYWSOUNAUMD-CABCVRRESA-N 1 3 313.442 0.454 20 0 DCADHO CC(=O)N1CCC[C@H](N2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001169627808 760757894 /nfs/dbraw/zinc/75/78/94/760757894.db2.gz YCZZTHMUGGWFBS-HNNXBMFYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735137 768017445 /nfs/dbraw/zinc/01/74/45/768017445.db2.gz LNVQTAWWKKWEFZ-LZWOXQAQSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735137 768017450 /nfs/dbraw/zinc/01/74/50/768017450.db2.gz LNVQTAWWKKWEFZ-LZWOXQAQSA-N 1 3 309.454 0.632 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCC(C)C ZINC001148578507 768019516 /nfs/dbraw/zinc/01/95/16/768019516.db2.gz VOWWHUXYZUTCIQ-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC(C)C ZINC001148578507 768019520 /nfs/dbraw/zinc/01/95/20/768019520.db2.gz VOWWHUXYZUTCIQ-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001148578186 768019546 /nfs/dbraw/zinc/01/95/46/768019546.db2.gz PPZRRCCBUFWCDL-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001148578186 768019549 /nfs/dbraw/zinc/01/95/49/768019549.db2.gz PPZRRCCBUFWCDL-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001109977277 761626770 /nfs/dbraw/zinc/62/67/70/761626770.db2.gz BQTLNKJGHGQCJK-RDBSUJKOSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccnn1C ZINC001129417835 762934392 /nfs/dbraw/zinc/93/43/92/762934392.db2.gz QEVVNNFXAXJQCC-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccnn1C ZINC001129417835 762934395 /nfs/dbraw/zinc/93/43/95/762934395.db2.gz QEVVNNFXAXJQCC-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001129423689 762935211 /nfs/dbraw/zinc/93/52/11/762935211.db2.gz WGEDOGJTSYZBJG-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001129423689 762935213 /nfs/dbraw/zinc/93/52/13/762935213.db2.gz WGEDOGJTSYZBJG-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCOCC(F)(F)F)C1CC1 ZINC001129454479 762939545 /nfs/dbraw/zinc/93/95/45/762939545.db2.gz JMPMGVQCALAULC-NSHDSACASA-N 1 3 311.348 0.611 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)cn1 ZINC001129444062 762944966 /nfs/dbraw/zinc/94/49/66/762944966.db2.gz PPKMWQQSAVAWET-HNNXBMFYSA-N 1 3 307.442 0.492 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)c1ccccc1)C1CCC1 ZINC001129532048 762955034 /nfs/dbraw/zinc/95/50/34/762955034.db2.gz PCFRVWBWSCLNEL-MRXNPFEDSA-N 1 3 305.422 0.910 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129841839 763021224 /nfs/dbraw/zinc/02/12/24/763021224.db2.gz PUZOMHBGMCRXIA-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129841839 763021229 /nfs/dbraw/zinc/02/12/29/763021229.db2.gz PUZOMHBGMCRXIA-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129842351 763022756 /nfs/dbraw/zinc/02/27/56/763022756.db2.gz WQSKKPBEXBDTDW-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129842351 763022761 /nfs/dbraw/zinc/02/27/61/763022761.db2.gz WQSKKPBEXBDTDW-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCC[C@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129840581 763030159 /nfs/dbraw/zinc/03/01/59/763030159.db2.gz HZDDQSLATMQWJE-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129840581 763030165 /nfs/dbraw/zinc/03/01/65/763030165.db2.gz HZDDQSLATMQWJE-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F)N(C)C ZINC001129950436 763054934 /nfs/dbraw/zinc/05/49/34/763054934.db2.gz UFCDABLXUWJJCE-NEPJUHHUSA-N 1 3 307.385 0.703 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)cn1 ZINC001129946976 763063997 /nfs/dbraw/zinc/06/39/97/763063997.db2.gz CVEWRSWKUHPUFT-HNNXBMFYSA-N 1 3 309.458 0.738 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001129946913 763064394 /nfs/dbraw/zinc/06/43/94/763064394.db2.gz AEKUORQCYSSADC-HNNXBMFYSA-N 1 3 320.437 0.578 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O)C1CCC1 ZINC001099879063 763095584 /nfs/dbraw/zinc/09/55/84/763095584.db2.gz FAJNANFHELZQCK-ZIAGYGMSSA-N 1 3 301.406 0.382 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O)C1CCC1 ZINC001099879063 763095588 /nfs/dbraw/zinc/09/55/88/763095588.db2.gz FAJNANFHELZQCK-ZIAGYGMSSA-N 1 3 301.406 0.382 20 0 DCADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137327 763146427 /nfs/dbraw/zinc/14/64/27/763146427.db2.gz UCCMIWLCAPBIFX-CABCVRRESA-N 1 3 322.457 0.616 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C(=O)NC)cc1)N(C)C ZINC001130197445 763173502 /nfs/dbraw/zinc/17/35/02/763173502.db2.gz IRTMXBSEBWIKRD-OAHLLOKOSA-N 1 3 320.437 0.592 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1)N(C)C ZINC001130205052 763178214 /nfs/dbraw/zinc/17/82/14/763178214.db2.gz FIPOCDVYJFZJTI-ZIAGYGMSSA-N 1 3 301.431 0.228 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)cc1 ZINC001099987377 763190725 /nfs/dbraw/zinc/19/07/25/763190725.db2.gz ZDJUWACLKDUEBW-IAGOWNOFSA-N 1 3 319.449 0.998 20 0 DCADHO CC[C@H](C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1)N(C)C ZINC001130398627 763295254 /nfs/dbraw/zinc/29/52/54/763295254.db2.gz BBULQIAABJADBM-TZMCWYRMSA-N 1 3 323.441 0.148 20 0 DCADHO CC[C@H](C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1)N(C)C ZINC001130398627 763295259 /nfs/dbraw/zinc/29/52/59/763295259.db2.gz BBULQIAABJADBM-TZMCWYRMSA-N 1 3 323.441 0.148 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001130426861 763298754 /nfs/dbraw/zinc/29/87/54/763298754.db2.gz DVXXNMKDIWSJSE-CQSZACIVSA-N 1 3 315.458 0.618 20 0 DCADHO C[C@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)C(=O)N(C)C ZINC001130558873 763382619 /nfs/dbraw/zinc/38/26/19/763382619.db2.gz SGUMZQBWJRIJIP-ZDUSSCGKSA-N 1 3 321.425 0.090 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130614634 763400649 /nfs/dbraw/zinc/40/06/49/763400649.db2.gz CBLRDZIIHHXAFS-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130614634 763400655 /nfs/dbraw/zinc/40/06/55/763400655.db2.gz CBLRDZIIHHXAFS-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCN[C@H]1CCNC1=O ZINC001130617592 763405577 /nfs/dbraw/zinc/40/55/77/763405577.db2.gz CRGPZNZFHUMHAO-ZDUSSCGKSA-N 1 3 310.442 0.234 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCN[C@H]1CCNC1=O ZINC001130617592 763405584 /nfs/dbraw/zinc/40/55/84/763405584.db2.gz CRGPZNZFHUMHAO-ZDUSSCGKSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]([NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001100333682 763500170 /nfs/dbraw/zinc/50/01/70/763500170.db2.gz JQQMYNMUQKJITO-HSBZDZAISA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001100442531 763582012 /nfs/dbraw/zinc/58/20/12/763582012.db2.gz LAXXKTGOJYGUQV-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(OC2CC[NH2+]CC2)nc(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001170563895 763841795 /nfs/dbraw/zinc/84/17/95/763841795.db2.gz OCFFFRJJXDNZSW-GXTWGEPZSA-N 1 3 321.425 0.705 20 0 DCADHO CC1(C)CC(C[NH2+]CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001131521762 763846049 /nfs/dbraw/zinc/84/60/49/763846049.db2.gz GEWLHKVFJUFFOB-CSLYMUCUSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@H](Nc1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1)[C@H]1CNCCO1 ZINC001170569749 763865751 /nfs/dbraw/zinc/86/57/51/763865751.db2.gz TWOQTNMWVACTCZ-CORIIIEPSA-N 1 3 316.409 0.943 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001101036324 763930977 /nfs/dbraw/zinc/93/09/77/763930977.db2.gz MUZXATXGAAQGMO-UHFFFAOYSA-N 1 3 308.430 0.103 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001101036056 763931160 /nfs/dbraw/zinc/93/11/60/763931160.db2.gz HPLKWVPCZFAVSN-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)C1(CC(=O)NCCN[C@@H]2CCCNC2=O)CCCC1 ZINC001131840783 764056910 /nfs/dbraw/zinc/05/69/10/764056910.db2.gz VJAJDBDTHTXRLC-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO Cc1cc(CN2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)ncn1 ZINC001102320649 764596768 /nfs/dbraw/zinc/59/67/68/764596768.db2.gz MWUJBHQUAPNDNA-UKRRQHHQSA-N 1 3 319.453 0.921 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001132738022 764614183 /nfs/dbraw/zinc/61/41/83/764614183.db2.gz TYJXMLYGTSBOPU-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001132738022 764614187 /nfs/dbraw/zinc/61/41/87/764614187.db2.gz TYJXMLYGTSBOPU-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO Cc1ncoc1CNCCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132848523 764688353 /nfs/dbraw/zinc/68/83/53/764688353.db2.gz JYNXLZRQJZZJCQ-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncoc1CNCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848523 764688356 /nfs/dbraw/zinc/68/83/56/764688356.db2.gz JYNXLZRQJZZJCQ-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncoc1CNCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848523 764688362 /nfs/dbraw/zinc/68/83/62/764688362.db2.gz JYNXLZRQJZZJCQ-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncoc1C[NH2+]CCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132848523 764688365 /nfs/dbraw/zinc/68/83/65/764688365.db2.gz JYNXLZRQJZZJCQ-AWEZNQCLSA-N 1 3 310.398 0.298 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001132886691 764708001 /nfs/dbraw/zinc/70/80/01/764708001.db2.gz RJMBAROCHMRQCS-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001132886691 764708006 /nfs/dbraw/zinc/70/80/06/764708006.db2.gz RJMBAROCHMRQCS-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132937184 764739709 /nfs/dbraw/zinc/73/97/09/764739709.db2.gz IAEOYCSBVFZUAY-STQMWFEESA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)CCC[NH+](C)C)ccn1 ZINC001133040567 764799616 /nfs/dbraw/zinc/79/96/16/764799616.db2.gz XCSUUFQOJTZKJO-UHFFFAOYSA-N 1 3 307.442 0.695 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001133091726 764822871 /nfs/dbraw/zinc/82/28/71/764822871.db2.gz UVVJLIBSHIRFOZ-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001133285968 764905913 /nfs/dbraw/zinc/90/59/13/764905913.db2.gz QKRHDSNDLCRSJF-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001133419713 764958106 /nfs/dbraw/zinc/95/81/06/764958106.db2.gz VOBGJBMXMYQDJZ-DZGCQCFKSA-N 1 3 312.458 0.195 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684704 765091601 /nfs/dbraw/zinc/09/16/01/765091601.db2.gz LNUFIJWTHIRNOK-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834422 765165052 /nfs/dbraw/zinc/16/50/52/765165052.db2.gz XGBDOUFBNBOHOF-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834422 765165053 /nfs/dbraw/zinc/16/50/53/765165053.db2.gz XGBDOUFBNBOHOF-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845881 765180615 /nfs/dbraw/zinc/18/06/15/765180615.db2.gz PGROINARPUQWLS-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846032 765180464 /nfs/dbraw/zinc/18/04/64/765180464.db2.gz SBVGZHXPHMTNSO-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846032 765180467 /nfs/dbraw/zinc/18/04/67/765180467.db2.gz SBVGZHXPHMTNSO-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845881 765180611 /nfs/dbraw/zinc/18/06/11/765180611.db2.gz PGROINARPUQWLS-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849950 765182348 /nfs/dbraw/zinc/18/23/48/765182348.db2.gz IBVCOWFOTIXLSG-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849950 765182350 /nfs/dbraw/zinc/18/23/50/765182350.db2.gz IBVCOWFOTIXLSG-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893520 765211706 /nfs/dbraw/zinc/21/17/06/765211706.db2.gz IEAGFQVNZLGFGQ-CYBMUJFWSA-N 1 3 320.437 0.245 20 0 DCADHO CN1CCC[C@@H]([NH2+]CCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001133896324 765215363 /nfs/dbraw/zinc/21/53/63/765215363.db2.gz ISTHEDLRHTVBID-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO Cn1cc(CC[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cn1 ZINC001133896708 765215484 /nfs/dbraw/zinc/21/54/84/765215484.db2.gz PVVCUXQPIFZOBE-UHFFFAOYSA-N 1 3 307.442 0.400 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)CC(C)(C)C ZINC001133907849 765220448 /nfs/dbraw/zinc/22/04/48/765220448.db2.gz AQSNVPNSTOWXAK-ZDUSSCGKSA-N 1 3 322.457 0.449 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN(C)CC(C)(C)C)n1 ZINC001133899303 765224481 /nfs/dbraw/zinc/22/44/81/765224481.db2.gz BMZKNHFBLYUHLD-UHFFFAOYSA-N 1 3 324.473 0.579 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H]1COc2ccccc2O1)N(C)C ZINC001133966251 765258296 /nfs/dbraw/zinc/25/82/96/765258296.db2.gz ZOPLJZSQSDWAOK-KBPBESRZSA-N 1 3 321.421 0.872 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCC(C)C)N(C)C ZINC001133968525 765261711 /nfs/dbraw/zinc/26/17/11/765261711.db2.gz XWODGPXOBKWNPK-KBPBESRZSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001178815360 770884902 /nfs/dbraw/zinc/88/49/02/770884902.db2.gz ALOHVHDVDADLQW-CHWSQXEVSA-N 1 3 300.447 0.467 20 0 DCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001111908846 765423998 /nfs/dbraw/zinc/42/39/98/765423998.db2.gz USBIHNYVCVMIRK-ZQIUZPCESA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001111908846 765424006 /nfs/dbraw/zinc/42/40/06/765424006.db2.gz USBIHNYVCVMIRK-ZQIUZPCESA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN(C)C1CCC1 ZINC001134612943 765589998 /nfs/dbraw/zinc/58/99/98/765589998.db2.gz RBVOKWLGKAWQTB-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772486 765665684 /nfs/dbraw/zinc/66/56/84/765665684.db2.gz DYQLVDYQBGCALR-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001134772408 765665805 /nfs/dbraw/zinc/66/58/05/765665805.db2.gz CVYPKVXITHMOLW-ZIAGYGMSSA-N 1 3 324.473 0.881 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134783232 765672712 /nfs/dbraw/zinc/67/27/12/765672712.db2.gz UDQUOAXQYADZNF-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)N1CCC(C)CC1 ZINC001124866763 768317100 /nfs/dbraw/zinc/31/71/00/768317100.db2.gz KMKVFVHXRDGSLP-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO COc1ccc(CN[C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)nn1 ZINC001135372819 765907946 /nfs/dbraw/zinc/90/79/46/765907946.db2.gz SZDDTSAHPYBWIA-CHWSQXEVSA-N 1 3 323.441 0.810 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC001135508467 765953316 /nfs/dbraw/zinc/95/33/16/765953316.db2.gz NNZHUELVNHHQIW-UHFFFAOYSA-N 1 3 318.425 0.516 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001135705711 766061590 /nfs/dbraw/zinc/06/15/90/766061590.db2.gz IEXLRICTXULZOD-KBPBESRZSA-N 1 3 310.446 0.493 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001135743469 766085486 /nfs/dbraw/zinc/08/54/86/766085486.db2.gz LCAZIMZDMVWCKY-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCOC ZINC001135743262 766085605 /nfs/dbraw/zinc/08/56/05/766085605.db2.gz HPMKRXGZBMANFU-LSDHHAIUSA-N 1 3 317.474 0.864 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001135744125 766086839 /nfs/dbraw/zinc/08/68/39/766086839.db2.gz WDOYEHZJYPYYFL-QWHCGFSZSA-N 1 3 321.487 0.246 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001161226824 768698165 /nfs/dbraw/zinc/69/81/65/768698165.db2.gz PXIAGBAZNNYAPD-LBPRGKRZSA-N 1 3 300.447 0.289 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959229 766191582 /nfs/dbraw/zinc/19/15/82/766191582.db2.gz MMBRTGLDNTWYQH-UHFFFAOYSA-N 1 3 323.441 0.045 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC001118045095 766206878 /nfs/dbraw/zinc/20/68/78/766206878.db2.gz PXBNPDZGDTXYKJ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CON(C)C(=O)[C@H]1CCc2cc(N[C@@H](N)CCC[NH3+])ccc2O1 ZINC001170903459 766252038 /nfs/dbraw/zinc/25/20/38/766252038.db2.gz JYLIENOCEGFMNH-HUUCEWRRSA-N 1 3 322.409 0.836 20 0 DCADHO CCOC(=O)c1cc(CNCCC[N@@H+]2CCCN(C)CC2)[nH]n1 ZINC001119509267 766705778 /nfs/dbraw/zinc/70/57/78/766705778.db2.gz CALATGFVVMOWOX-UHFFFAOYSA-N 1 3 323.441 0.704 20 0 DCADHO CCOC(=O)c1cc(CNCCC[N@H+]2CCCN(C)CC2)[nH]n1 ZINC001119509267 766705787 /nfs/dbraw/zinc/70/57/87/766705787.db2.gz CALATGFVVMOWOX-UHFFFAOYSA-N 1 3 323.441 0.704 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001120017759 766884133 /nfs/dbraw/zinc/88/41/33/766884133.db2.gz HSDUOXHKAWOBPG-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001120017759 766884139 /nfs/dbraw/zinc/88/41/39/766884139.db2.gz HSDUOXHKAWOBPG-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO Cc1cnc(CNCCCNC(=O)COCC[NH+](C)C)s1 ZINC001171204902 767002497 /nfs/dbraw/zinc/00/24/97/767002497.db2.gz HPGNPAWCBQVSCK-UHFFFAOYSA-N 1 3 314.455 0.626 20 0 DCADHO C[C@H](NCCCNC(=O)C[C@H]1CC[N@H+](C)C1)c1cnccn1 ZINC001171226412 767049484 /nfs/dbraw/zinc/04/94/84/767049484.db2.gz GLBSAFMRCNDYBK-UONOGXRCSA-N 1 3 305.426 0.975 20 0 DCADHO C[C@H](NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cnccn1 ZINC001171226412 767049492 /nfs/dbraw/zinc/04/94/92/767049492.db2.gz GLBSAFMRCNDYBK-UONOGXRCSA-N 1 3 305.426 0.975 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@H]1C ZINC001120653446 767117758 /nfs/dbraw/zinc/11/77/58/767117758.db2.gz PSBBHTIAWFDFAF-CABCVRRESA-N 1 3 311.474 0.454 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(=O)NCC2CC2)CC1 ZINC001146355765 767441283 /nfs/dbraw/zinc/44/12/83/767441283.db2.gz FSKPWYXKUNLNFU-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)C2CC[NH+](C(C)C)CC2)C1=O ZINC001146384872 767452365 /nfs/dbraw/zinc/45/23/65/767452365.db2.gz UWEHXPGVBGCCMP-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146591884 767486145 /nfs/dbraw/zinc/48/61/45/767486145.db2.gz HWOVCUOSBWGBKO-KGLIPLIRSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(C)(C)CC ZINC001146718474 767511396 /nfs/dbraw/zinc/51/13/96/767511396.db2.gz CCTQOPPLBDSSNE-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(C)(C)CC ZINC001146718474 767511399 /nfs/dbraw/zinc/51/13/99/767511399.db2.gz CCTQOPPLBDSSNE-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2)N(C)C ZINC001121798207 767637306 /nfs/dbraw/zinc/63/73/06/767637306.db2.gz HYIQARITWHOPBG-NDEDZJTOSA-N 1 3 322.453 0.232 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCN1CCc2ccccc2C1 ZINC001121982917 767688264 /nfs/dbraw/zinc/68/82/64/767688264.db2.gz HIOTXGNNLFENCF-WMLDXEAASA-N 1 3 319.449 0.767 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001138769540 768435924 /nfs/dbraw/zinc/43/59/24/768435924.db2.gz RRSPYHKPPSUMPH-NVXWUHKLSA-N 1 3 308.422 0.802 20 0 DCADHO C[NH+]1CCC(CN2CCN(Cc3nccnc3N)CC2)CC1 ZINC001140014392 768506966 /nfs/dbraw/zinc/50/69/66/768506966.db2.gz SDBPRKYOEAWMPX-UHFFFAOYSA-N 1 3 304.442 0.518 20 0 DCADHO Cc1ncc(CO)c(CN(CC[NH+](C)C)CC[NH+](C)C)c1[O-] ZINC001140868409 768550980 /nfs/dbraw/zinc/55/09/80/768550980.db2.gz NAJQUGSXWIBLMX-UHFFFAOYSA-N 1 3 310.442 0.513 20 0 DCADHO CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001093466442 768571496 /nfs/dbraw/zinc/57/14/96/768571496.db2.gz NORCJOQMPGAOJF-SRABZTEZSA-N 1 3 320.437 0.938 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001094219485 768885973 /nfs/dbraw/zinc/88/59/73/768885973.db2.gz MIUOVLAEMFQDRD-FRRDWIJNSA-N 1 3 323.466 0.674 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cnns1 ZINC001094219485 768885989 /nfs/dbraw/zinc/88/59/89/768885989.db2.gz MIUOVLAEMFQDRD-FRRDWIJNSA-N 1 3 323.466 0.674 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001151157060 769279180 /nfs/dbraw/zinc/27/91/80/769279180.db2.gz JRTCJGXXTITZQX-KGLIPLIRSA-N 1 3 321.425 0.212 20 0 DCADHO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)cn2)CC1 ZINC001232360744 769308374 /nfs/dbraw/zinc/30/83/74/769308374.db2.gz NETFDSYRLILQII-HZPDHXFCSA-N 1 3 320.437 0.009 20 0 DCADHO CN1CCN(c2ccc(C[N@H+]3CC[C@H](CO)[C@H](O)C3)cn2)CC1 ZINC001232360744 769308380 /nfs/dbraw/zinc/30/83/80/769308380.db2.gz NETFDSYRLILQII-HZPDHXFCSA-N 1 3 320.437 0.009 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](O)COC)N(C)C ZINC001171508621 769311838 /nfs/dbraw/zinc/31/18/38/769311838.db2.gz HFOHHQAHXCJTRJ-RRFJBIMHSA-N 1 3 317.474 0.599 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCn1cncn1)N(C)C ZINC001171509189 769312723 /nfs/dbraw/zinc/31/27/23/769312723.db2.gz MXTPATLNEQWDBE-HUUCEWRRSA-N 1 3 324.473 0.883 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccnc(OC)n1 ZINC001171757937 769368953 /nfs/dbraw/zinc/36/89/53/769368953.db2.gz PLNXZNNZVZBDRB-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCc1ccco1 ZINC001171762797 769370536 /nfs/dbraw/zinc/37/05/36/769370536.db2.gz LKBYJKSEKIIHME-UHFFFAOYSA-N 1 3 324.425 0.334 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC001152427395 769553283 /nfs/dbraw/zinc/55/32/83/769553283.db2.gz ZASNPTBKMSFGJL-MRXNPFEDSA-N 1 3 307.438 0.636 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001152446318 769560604 /nfs/dbraw/zinc/56/06/04/769560604.db2.gz XLNWGWUFFUASFY-GFCCVEGCSA-N 1 3 300.447 0.336 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001152452183 769561532 /nfs/dbraw/zinc/56/15/32/769561532.db2.gz VVNKCPWYSLVHEG-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CN(CCCO)CCCO1)[NH+](C)C ZINC001150290516 769726550 /nfs/dbraw/zinc/72/65/50/769726550.db2.gz ACMCPWAJBFRKCD-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H]([NH3+])CN1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001235586095 769900914 /nfs/dbraw/zinc/90/09/14/769900914.db2.gz ZRXSLUYLLLIEBZ-GVDBMIGSSA-N 1 3 310.486 0.595 20 0 DCADHO [NH3+]CCCCN1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001235627923 769917934 /nfs/dbraw/zinc/91/79/34/769917934.db2.gz DEDPRAUNAQZZLA-UHFFFAOYSA-N 1 3 319.453 0.784 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN(Cc2nc3c(s2)CNCC3)C1 ZINC001235769486 769945212 /nfs/dbraw/zinc/94/52/12/769945212.db2.gz BOFMCHJXQWUOIX-ZJUUUORDSA-N 1 3 310.423 0.111 20 0 DCADHO COC(=O)c1cccc([C@H]2C[NH2+]CCN2C[C@H]2COCCN2)c1 ZINC001237435475 770040564 /nfs/dbraw/zinc/04/05/64/770040564.db2.gz HRJCTUGIVCZZAF-JKSUJKDBSA-N 1 3 319.405 0.408 20 0 DCADHO O=S(=O)(CC1CCC1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238241883 770108880 /nfs/dbraw/zinc/10/88/80/770108880.db2.gz MPVGJBMJIFJEHU-CYBMUJFWSA-N 1 3 301.456 0.580 20 0 DCADHO O=S(=O)(CC1CCC1)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238241883 770108884 /nfs/dbraw/zinc/10/88/84/770108884.db2.gz MPVGJBMJIFJEHU-CYBMUJFWSA-N 1 3 301.456 0.580 20 0 DCADHO CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176754647 770168027 /nfs/dbraw/zinc/16/80/27/770168027.db2.gz XLZNZKLASGDJJP-CQSZACIVSA-N 1 3 314.474 0.727 20 0 DCADHO NCCS(=O)(=O)N(Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001239140934 770193690 /nfs/dbraw/zinc/19/36/90/770193690.db2.gz GWXUBXVMELBATH-CQSZACIVSA-N 1 3 315.414 0.668 20 0 DCADHO NCCS(=O)(=O)N(Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC001239136175 770193955 /nfs/dbraw/zinc/19/39/55/770193955.db2.gz HQXLMNMVDLIARZ-ZDUSSCGKSA-N 1 3 315.414 0.668 20 0 DCADHO CNC(=O)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176884769 770208941 /nfs/dbraw/zinc/20/89/41/770208941.db2.gz STJIAXSHIQBJMN-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CCOCCO)c1 ZINC001176890475 770211605 /nfs/dbraw/zinc/21/16/05/770211605.db2.gz UWGACYVZKICLEB-UHFFFAOYSA-N 1 3 323.437 0.467 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001176974809 770266846 /nfs/dbraw/zinc/26/68/46/770266846.db2.gz BIAYWSWCZLCCIV-ZDUSSCGKSA-N 1 3 308.430 0.202 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001176986080 770271427 /nfs/dbraw/zinc/27/14/27/770271427.db2.gz DHWFHFFOSNZNNQ-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001176986747 770273778 /nfs/dbraw/zinc/27/37/78/770273778.db2.gz VDKVKSOCHZEMFE-CYBMUJFWSA-N 1 3 321.487 0.103 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178678812 770827066 /nfs/dbraw/zinc/82/70/66/770827066.db2.gz SKACNLLUZALYBK-MELADBBJSA-N 1 3 310.442 0.184 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178678812 770827080 /nfs/dbraw/zinc/82/70/80/770827080.db2.gz SKACNLLUZALYBK-MELADBBJSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)CCC[NH+](C)C ZINC001179435807 771004984 /nfs/dbraw/zinc/00/49/84/771004984.db2.gz YEZLYXSSCUTNIF-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179982710 771042266 /nfs/dbraw/zinc/04/22/66/771042266.db2.gz DHAHKYUBHNRMNU-IHRRRGAJSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC(C)(C)C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180123734 771065097 /nfs/dbraw/zinc/06/50/97/771065097.db2.gz AHRQLSSVZLBTBY-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC(C)(C)C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180123734 771065104 /nfs/dbraw/zinc/06/51/04/771065104.db2.gz AHRQLSSVZLBTBY-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226677 771076811 /nfs/dbraw/zinc/07/68/11/771076811.db2.gz GGVLXQQNTFSDPX-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)[C@@H]1C ZINC001180226583 771077524 /nfs/dbraw/zinc/07/75/24/771077524.db2.gz BKNSZMKMAIFHQS-MELADBBJSA-N 1 3 310.442 0.184 20 0 DCADHO CN1CCC(O)(C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001182036928 771392870 /nfs/dbraw/zinc/39/28/70/771392870.db2.gz NFRJKRGEWFKKSY-HNNXBMFYSA-N 1 3 303.406 0.355 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183230093 771622641 /nfs/dbraw/zinc/62/26/41/771622641.db2.gz TUUGUAGURVTMQE-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO N[C@H]1CN(C(=O)[C@H]([NH3+])CCC(=O)OCc2ccccc2)C[C@H]1F ZINC001157537109 771627617 /nfs/dbraw/zinc/62/76/17/771627617.db2.gz XHFSKNULYZRPEB-MCIONIFRSA-N 1 3 323.368 0.345 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC1CC1 ZINC001183240627 771627702 /nfs/dbraw/zinc/62/77/02/771627702.db2.gz NFYCDMUGWYZQNV-GXTWGEPZSA-N 1 3 322.453 0.328 20 0 DCADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001157579863 771636506 /nfs/dbraw/zinc/63/65/06/771636506.db2.gz RKCLWJIBNQJYDA-AEFFLSMTSA-N 1 3 320.481 0.662 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001157721279 771658523 /nfs/dbraw/zinc/65/85/23/771658523.db2.gz WUKWQKBPHMNQRX-ZIAGYGMSSA-N 1 3 323.462 0.943 20 0 DCADHO [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2CNCc3ccnn3C2)CC1 ZINC001157729846 771660314 /nfs/dbraw/zinc/66/03/14/771660314.db2.gz IGYWQZJGQSZPLF-WFASDCNBSA-N 1 3 309.389 0.282 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1)C(N)=O ZINC001183582490 771670888 /nfs/dbraw/zinc/67/08/88/771670888.db2.gz ZSGSQPDJRWFUGK-HZSPNIEDSA-N 1 3 312.458 0.561 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157800242 771673511 /nfs/dbraw/zinc/67/35/11/771673511.db2.gz ZPWAZFNTICHSQQ-KBMXLJTQSA-N 1 3 305.422 0.987 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCNCc1nccn1C ZINC001157887110 771687349 /nfs/dbraw/zinc/68/73/49/771687349.db2.gz QOFHOGSMUUKJHK-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCNCc1nccn1C ZINC001157887110 771687351 /nfs/dbraw/zinc/68/73/51/771687351.db2.gz QOFHOGSMUUKJHK-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC001183772408 771699146 /nfs/dbraw/zinc/69/91/46/771699146.db2.gz GTZSWPWHXVDYQV-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC001183772408 771699149 /nfs/dbraw/zinc/69/91/49/771699149.db2.gz GTZSWPWHXVDYQV-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)(C(=O)NCCC[NH2+]CC(=O)N1CCC1)N1CCCCC1 ZINC001158072948 771721478 /nfs/dbraw/zinc/72/14/78/771721478.db2.gz FIEVSKKMEHTMMN-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)nn1C ZINC001158196550 771739077 /nfs/dbraw/zinc/73/90/77/771739077.db2.gz NHMJZWXMUMWJIJ-INIZCTEOSA-N 1 3 319.453 0.666 20 0 DCADHO N[C@@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CCc2cc(F)ccc2C1 ZINC001158208630 771741674 /nfs/dbraw/zinc/74/16/74/771741674.db2.gz VQERQZCQQPFFKN-UXLLHSPISA-N 1 3 303.381 0.975 20 0 DCADHO c1nc(N2CCO[C@@H](C[NH+]3CCCC3)C2)nc2c1CNCC2 ZINC001158304009 771755836 /nfs/dbraw/zinc/75/58/36/771755836.db2.gz JGSYLRYEBMNLNR-AWEZNQCLSA-N 1 3 303.410 0.423 20 0 DCADHO O=C(N1C[C@H]2c3ccccc3CN[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158327705 771760080 /nfs/dbraw/zinc/76/00/80/771760080.db2.gz NGCOZGMCGQKRPU-NOVWEMISSA-N 1 3 312.417 0.036 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184806856 771823595 /nfs/dbraw/zinc/82/35/95/771823595.db2.gz IUKXQZDTOZSNSM-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](N)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235963 771880666 /nfs/dbraw/zinc/88/06/66/771880666.db2.gz IKORUDPZBVNUIL-GFCCVEGCSA-N 1 3 314.393 0.304 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230604 771882402 /nfs/dbraw/zinc/88/24/02/771882402.db2.gz WPEGDHGFPXSHQI-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230661 771882464 /nfs/dbraw/zinc/88/24/64/771882464.db2.gz ZCDIPMXOJLBEKV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1nc(Cl)nc2c1C[N@H+](C)CC2 ZINC001159301827 771892962 /nfs/dbraw/zinc/89/29/62/771892962.db2.gz ARPPMWNLHFTXLO-UHFFFAOYSA-N 1 3 322.800 0.819 20 0 DCADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1nc(Cl)nc2c1C[N@@H+](C)CC2 ZINC001159301827 771892973 /nfs/dbraw/zinc/89/29/73/771892973.db2.gz ARPPMWNLHFTXLO-UHFFFAOYSA-N 1 3 322.800 0.819 20 0 DCADHO CCN1CC[C@@]2(CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@@H]2C)C1=O ZINC001159318002 771894718 /nfs/dbraw/zinc/89/47/18/771894718.db2.gz HDMNWSAQJNGQJW-JDFRZJQESA-N 1 3 322.453 0.030 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265999 771895367 /nfs/dbraw/zinc/89/53/67/771895367.db2.gz WYIBUYQPMMPJMF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001185340526 771907643 /nfs/dbraw/zinc/90/76/43/771907643.db2.gz ZERHTQXLYGUHNX-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO Cc1nc(NCCOCCOCC[NH3+])cc(N2CCCC2)n1 ZINC001159444279 771910821 /nfs/dbraw/zinc/91/08/21/771910821.db2.gz DGABAOSZMUKETB-UHFFFAOYSA-N 1 3 309.414 0.789 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001185415698 771916890 /nfs/dbraw/zinc/91/68/90/771916890.db2.gz FDSANTMAFGYOAH-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1)[NH+](C)C ZINC001185455013 771918372 /nfs/dbraw/zinc/91/83/72/771918372.db2.gz IDLULAMHKBUWCI-BPLDGKMQSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001185651299 771940140 /nfs/dbraw/zinc/94/01/40/771940140.db2.gz WPQNAALLNSQDGD-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001185651299 771940143 /nfs/dbraw/zinc/94/01/43/771940143.db2.gz WPQNAALLNSQDGD-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659042 771940639 /nfs/dbraw/zinc/94/06/39/771940639.db2.gz CCEKDWRQFTVRAD-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659042 771940642 /nfs/dbraw/zinc/94/06/42/771940642.db2.gz CCEKDWRQFTVRAD-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001159746310 771951443 /nfs/dbraw/zinc/95/14/43/771951443.db2.gz LAWHHUKCGATFJS-RWMBFGLXSA-N 1 3 322.434 0.521 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159855012 771969189 /nfs/dbraw/zinc/96/91/89/771969189.db2.gz ZVKBOZXEQGNPEL-UHFFFAOYSA-N 1 3 301.431 0.230 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001185925224 771977052 /nfs/dbraw/zinc/97/70/52/771977052.db2.gz KNSSTXCFKWTRDT-HIFRSBDPSA-N 1 3 322.409 0.338 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001159923761 771978149 /nfs/dbraw/zinc/97/81/49/771978149.db2.gz HKZYAJFUSPYVKE-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001159923762 771978323 /nfs/dbraw/zinc/97/83/23/771978323.db2.gz HKZYAJFUSPYVKE-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)n1 ZINC001159932454 771980044 /nfs/dbraw/zinc/98/00/44/771980044.db2.gz RRBWVRIUWFWGDD-MRXNPFEDSA-N 1 3 321.469 0.936 20 0 DCADHO COC[C@H]1COCCC12CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001160057062 771992759 /nfs/dbraw/zinc/99/27/59/771992759.db2.gz FIEDSCOQTDRMGN-UONOGXRCSA-N 1 3 313.442 0.344 20 0 DCADHO CN1CCN(c2ccc(Nc3nccnc3C[NH3+])nn2)CC1 ZINC001160246444 772014022 /nfs/dbraw/zinc/01/40/22/772014022.db2.gz SLGSDPWNQDFOCW-UHFFFAOYSA-N 1 3 300.370 0.221 20 0 DCADHO NCc1cc(-c2ccncc2)nn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001160343788 772027928 /nfs/dbraw/zinc/02/79/28/772027928.db2.gz DXWVZMWDDMFTSF-UHFFFAOYSA-N 1 3 307.361 0.870 20 0 DCADHO O=C(N1CC(OCc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160490586 772049501 /nfs/dbraw/zinc/04/95/01/772049501.db2.gz CTBBITKRLWMPBG-CRAIPNDOSA-N 1 3 315.417 0.613 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824991 772097380 /nfs/dbraw/zinc/09/73/80/772097380.db2.gz TZKDJUQUQGBCLW-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824991 772097385 /nfs/dbraw/zinc/09/73/85/772097385.db2.gz TZKDJUQUQGBCLW-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@](O)(C1CCN(C(=O)[C@H](N)CCC[NH3+])CC1)C(F)(F)F ZINC001160837069 772118921 /nfs/dbraw/zinc/11/89/21/772118921.db2.gz AUPRSWSEPJQGGY-ZYHUDNBSSA-N 1 3 311.348 0.605 20 0 DCADHO N[C@@H](Cc1cccc(O)c1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915810 772137160 /nfs/dbraw/zinc/13/71/60/772137160.db2.gz NGJLQWGBHFXGPQ-AWEZNQCLSA-N 1 3 313.361 0.057 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187126484 772139091 /nfs/dbraw/zinc/13/90/91/772139091.db2.gz IXTFLHSLJVUSQN-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC001187276405 772158904 /nfs/dbraw/zinc/15/89/04/772158904.db2.gz IRNULGZXUKGDIA-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC001187276405 772158905 /nfs/dbraw/zinc/15/89/05/772158905.db2.gz IRNULGZXUKGDIA-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001187322683 772165513 /nfs/dbraw/zinc/16/55/13/772165513.db2.gz RMYUBFDTUZODOJ-MRXNPFEDSA-N 1 3 321.469 0.978 20 0 DCADHO C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161207472 772184734 /nfs/dbraw/zinc/18/47/34/772184734.db2.gz ULVPHDBPXUXGBT-LSDHHAIUSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001161207472 772184737 /nfs/dbraw/zinc/18/47/37/772184737.db2.gz ULVPHDBPXUXGBT-LSDHHAIUSA-N 1 3 309.454 0.990 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161233377 772187994 /nfs/dbraw/zinc/18/79/94/772187994.db2.gz UJMFZRYRYUEMIA-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161261877 772192728 /nfs/dbraw/zinc/19/27/28/772192728.db2.gz NQSXKZLGGRETID-YEJXKQKISA-N 1 3 317.499 0.709 20 0 DCADHO CN(C)CCN(C(=O)CCc1cncc(N)c1)[C@H]1CCC[NH2+]C1 ZINC001161443360 772223846 /nfs/dbraw/zinc/22/38/46/772223846.db2.gz QVPUDGPBMRSKTF-INIZCTEOSA-N 1 3 319.453 0.739 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834918 772231276 /nfs/dbraw/zinc/23/12/76/772231276.db2.gz KGXTZBBLPPFYRP-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NC1CCCC1 ZINC001187834807 772231315 /nfs/dbraw/zinc/23/13/15/772231315.db2.gz ILNHJHCVWXDMAX-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835594 772232254 /nfs/dbraw/zinc/23/22/54/772232254.db2.gz ZLROTJQREKQRMY-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001187841471 772232820 /nfs/dbraw/zinc/23/28/20/772232820.db2.gz BNKNSNIOEQINBF-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842859 772233253 /nfs/dbraw/zinc/23/32/53/772233253.db2.gz QNGWNDOLTAJSML-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCOC(=O)C[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1C ZINC001161499166 772235660 /nfs/dbraw/zinc/23/56/60/772235660.db2.gz INSCSIPKAOZTCA-IHRRRGAJSA-N 1 3 313.442 0.881 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccnn1CCOC ZINC001187874205 772244304 /nfs/dbraw/zinc/24/43/04/772244304.db2.gz GUZNHMKSAIXIEY-UHFFFAOYSA-N 1 3 310.402 0.207 20 0 DCADHO O=C(CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)NC1CC1 ZINC001188118285 772268845 /nfs/dbraw/zinc/26/88/45/772268845.db2.gz RZWDGFASSROWBP-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO Cn1ncc(C[NH2+]CCCNC(=O)c2ccn3cncc3c2)n1 ZINC001161863737 772291117 /nfs/dbraw/zinc/29/11/17/772291117.db2.gz OZZNATAGWQKLIT-UHFFFAOYSA-N 1 3 313.365 0.373 20 0 DCADHO CC[C@H](F)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872148 772427177 /nfs/dbraw/zinc/42/71/77/772427177.db2.gz HYGVVIGUVDXTRD-WJEHIRDRSA-N 1 3 313.417 0.694 20 0 DCADHO CC1(C)C(=O)NC[C@H]1Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001163011605 772443183 /nfs/dbraw/zinc/44/31/83/772443183.db2.gz MLGAZAQGGJFZCS-GFCCVEGCSA-N 1 3 303.410 0.946 20 0 DCADHO CCNC(=O)c1ccc(NC(=N)NCC[NH+](CC)CC)nn1 ZINC001163129510 772468818 /nfs/dbraw/zinc/46/88/18/772468818.db2.gz LSIUBDGLWDMDBL-UHFFFAOYSA-N 1 3 307.402 0.504 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2c1C(C)(C)C(=O)N2 ZINC001163128618 772468975 /nfs/dbraw/zinc/46/89/75/772468975.db2.gz NLJJEAYZJGGVAH-UHFFFAOYSA-N 1 3 319.413 0.984 20 0 DCADHO c1cc2c(nc1N[C@H]1CCO[C@@]3(CC[NH2+]C3)C1)OCCNC2 ZINC001163311113 772504822 /nfs/dbraw/zinc/50/48/22/772504822.db2.gz QQMILNMWBMMOBP-BBRMVZONSA-N 1 3 304.394 0.887 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001164536706 772675600 /nfs/dbraw/zinc/67/56/00/772675600.db2.gz WYHRDSKWPBJWKO-CQSZACIVSA-N 1 3 310.398 0.380 20 0 DCADHO Cc1nc2c(n1-c1nc(Cl)nc3c1CCNC3)CC[NH2+]CC2 ZINC001165352141 772727773 /nfs/dbraw/zinc/72/77/73/772727773.db2.gz QJCSEUWYRHOAKA-UHFFFAOYSA-N 1 3 318.812 0.958 20 0 DCADHO COc1cncc(CNCCCNC(=O)CCC[NH+](C)C)n1 ZINC001165359691 772728315 /nfs/dbraw/zinc/72/83/15/772728315.db2.gz GXYALSUPRNBKBA-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CN(C)C1(C(=O)NCCC2(C[NH2+][C@@H]3CCNC3=O)CC2)CCC1 ZINC001165465152 772740465 /nfs/dbraw/zinc/74/04/65/772740465.db2.gz VABLWXBTPUMEDU-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001166626454 772830318 /nfs/dbraw/zinc/83/03/18/772830318.db2.gz GSZHXTVOMZLSMH-LBPRGKRZSA-N 1 3 323.397 0.193 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)n1 ZINC001166626395 772830385 /nfs/dbraw/zinc/83/03/85/772830385.db2.gz FLUVWLKWOFVVAU-ZDUSSCGKSA-N 1 3 322.457 0.475 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633869 772831871 /nfs/dbraw/zinc/83/18/71/772831871.db2.gz LWAANRHEPGHWTB-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001166667502 772836971 /nfs/dbraw/zinc/83/69/71/772836971.db2.gz CCUACQRYZVTURB-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001166677884 772839538 /nfs/dbraw/zinc/83/95/38/772839538.db2.gz PHZUFJQPMAURIF-ZDUSSCGKSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001166677785 772839590 /nfs/dbraw/zinc/83/95/90/772839590.db2.gz MYSHTAVPGJMLFE-AWEZNQCLSA-N 1 3 319.453 0.767 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001166677785 772839594 /nfs/dbraw/zinc/83/95/94/772839594.db2.gz MYSHTAVPGJMLFE-AWEZNQCLSA-N 1 3 319.453 0.767 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)n1 ZINC001166678963 772840113 /nfs/dbraw/zinc/84/01/13/772840113.db2.gz ZWTFWRDHNKGIFU-AWEZNQCLSA-N 1 3 321.469 0.938 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(N)=O ZINC001166687475 772841359 /nfs/dbraw/zinc/84/13/59/772841359.db2.gz SOJKTFXRDGYMFQ-IAQYHMDHSA-N 1 3 316.421 0.169 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166708284 772845252 /nfs/dbraw/zinc/84/52/52/772845252.db2.gz OAKFYMFBTORNGV-KGLIPLIRSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166708284 772845253 /nfs/dbraw/zinc/84/52/53/772845253.db2.gz OAKFYMFBTORNGV-KGLIPLIRSA-N 1 3 307.442 0.697 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)nn1 ZINC001166708296 772845793 /nfs/dbraw/zinc/84/57/93/772845793.db2.gz OFLJMRVXNDGQNN-JSGCOSHPSA-N 1 3 321.425 0.279 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)nn1 ZINC001166708296 772845795 /nfs/dbraw/zinc/84/57/95/772845795.db2.gz OFLJMRVXNDGQNN-JSGCOSHPSA-N 1 3 321.425 0.279 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851737 772870547 /nfs/dbraw/zinc/87/05/47/772870547.db2.gz GBPSZGBHLFMLSR-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167035463 772900680 /nfs/dbraw/zinc/90/06/80/772900680.db2.gz KOAANOWDBLFXBM-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705327 772920396 /nfs/dbraw/zinc/92/03/96/772920396.db2.gz UOPCGCJXAWWDNJ-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(-n3ccnn3)cc2)C1 ZINC001205673994 773005832 /nfs/dbraw/zinc/00/58/32/773005832.db2.gz XBROEUHNONXVQY-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-n3ccnn3)cc2)C1 ZINC001205673994 773005836 /nfs/dbraw/zinc/00/58/36/773005836.db2.gz XBROEUHNONXVQY-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-n3ccnn3)cc2)C1 ZINC001205673994 773005840 /nfs/dbraw/zinc/00/58/40/773005840.db2.gz XBROEUHNONXVQY-INIZCTEOSA-N 1 3 301.394 0.943 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC(=O)N(C)C)CC2)C1 ZINC001206274317 773061669 /nfs/dbraw/zinc/06/16/69/773061669.db2.gz IBQVQDYLJZGFHP-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CN1CCN(C)C2(CCN(CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001207279826 773189628 /nfs/dbraw/zinc/18/96/28/773189628.db2.gz KZKJDAFTXOKTHT-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)C(=O)N(C)CCN2C ZINC001207279826 773189631 /nfs/dbraw/zinc/18/96/31/773189631.db2.gz KZKJDAFTXOKTHT-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687954 773270368 /nfs/dbraw/zinc/27/03/68/773270368.db2.gz KKYJAIHCEDRNFK-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070624 773394845 /nfs/dbraw/zinc/39/48/45/773394845.db2.gz OIRBYFHCKUVFLP-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070624 773394854 /nfs/dbraw/zinc/39/48/54/773394854.db2.gz OIRBYFHCKUVFLP-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO NC(=O)C1CCN(C2CC[NH+](CCCn3cccn3)CC2)CC1 ZINC001208078787 773396139 /nfs/dbraw/zinc/39/61/39/773396139.db2.gz OEGHGBJKOCMEOV-UHFFFAOYSA-N 1 3 319.453 0.935 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC001208454078 773466898 /nfs/dbraw/zinc/46/68/98/773466898.db2.gz SFNYLIUDPJAARA-ZDUSSCGKSA-N 1 3 322.457 0.626 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCc2cnnn2C)C1 ZINC001208454078 773466902 /nfs/dbraw/zinc/46/69/02/773466902.db2.gz SFNYLIUDPJAARA-ZDUSSCGKSA-N 1 3 322.457 0.626 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H]1O ZINC001195860294 773486520 /nfs/dbraw/zinc/48/65/20/773486520.db2.gz UYUFSPCSDUHLEW-BRWVUGGUSA-N 1 3 317.433 0.787 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001209485879 773609202 /nfs/dbraw/zinc/60/92/02/773609202.db2.gz SUXHYFCHVPUMEF-GOEBONIOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001209689646 773634884 /nfs/dbraw/zinc/63/48/84/773634884.db2.gz LLYDBKVQJJWEJT-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO COCCN1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829638 773651291 /nfs/dbraw/zinc/65/12/91/773651291.db2.gz JAUQQAGEQBIZFX-UKRRQHHQSA-N 1 3 313.442 0.180 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001210040528 773670468 /nfs/dbraw/zinc/67/04/68/773670468.db2.gz JNQJDTUFLQCQFX-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001210040528 773670470 /nfs/dbraw/zinc/67/04/70/773670470.db2.gz JNQJDTUFLQCQFX-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210283421 773693827 /nfs/dbraw/zinc/69/38/27/773693827.db2.gz OQSORIRLOAABKX-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001210482073 773710934 /nfs/dbraw/zinc/71/09/34/773710934.db2.gz KNXMIKRWKMJNKX-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001210482073 773710936 /nfs/dbraw/zinc/71/09/36/773710936.db2.gz KNXMIKRWKMJNKX-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210675846 773728838 /nfs/dbraw/zinc/72/88/38/773728838.db2.gz ASSRVSIUJPDQLS-CQSZACIVSA-N 1 3 323.441 0.079 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001210782117 773736740 /nfs/dbraw/zinc/73/67/40/773736740.db2.gz ISVXMFNEFKJYKW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001210788991 773739843 /nfs/dbraw/zinc/73/98/43/773739843.db2.gz LMULQOFCFLABEF-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211239956 773784312 /nfs/dbraw/zinc/78/43/12/773784312.db2.gz DLFQNOVSLYQUSH-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001211257327 773786216 /nfs/dbraw/zinc/78/62/16/773786216.db2.gz QWTVVEWOZYAJHV-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001211277774 773788611 /nfs/dbraw/zinc/78/86/11/773788611.db2.gz OMDVUXZOKBTDGK-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO COC[C@H](O)CN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885546 773816918 /nfs/dbraw/zinc/81/69/18/773816918.db2.gz HHVHCNCVCATQIP-OAHLLOKOSA-N 1 3 315.458 0.260 20 0 DCADHO CCCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730830 773879865 /nfs/dbraw/zinc/87/98/65/773879865.db2.gz YZCNOEDKHBVVQA-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860958 774019148 /nfs/dbraw/zinc/01/91/48/774019148.db2.gz CCVLVKZTBBUZFU-MBNYWOFBSA-N 1 3 310.442 0.042 20 0 DCADHO CCOc1ncc(C(=O)N(CC[NH+](CC)CC)C(=N)N)cn1 ZINC001199234924 774051503 /nfs/dbraw/zinc/05/15/03/774051503.db2.gz UEEINJRYDJYZDT-UHFFFAOYSA-N 1 3 308.386 0.553 20 0 DCADHO CC(C)c1nc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001215455974 774074080 /nfs/dbraw/zinc/07/40/80/774074080.db2.gz KSLOKEIBORBKPB-CHWSQXEVSA-N 1 3 322.457 0.816 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001215571807 774083545 /nfs/dbraw/zinc/08/35/45/774083545.db2.gz WFAKHCHEJHIVRW-YUELXQCFSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOCC(F)F ZINC001215680721 774088092 /nfs/dbraw/zinc/08/80/92/774088092.db2.gz KRMGVFDXOVBGPE-ZYHUDNBSSA-N 1 3 316.352 0.670 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)c1cnccc1N1CCN(C)CC1 ZINC001199361796 774096813 /nfs/dbraw/zinc/09/68/13/774096813.db2.gz WNYWRFASKDNFGG-ZDUSSCGKSA-N 1 3 305.426 0.513 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001216834515 774140577 /nfs/dbraw/zinc/14/05/77/774140577.db2.gz QEUTUFMILVGFMC-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001216853542 774143569 /nfs/dbraw/zinc/14/35/69/774143569.db2.gz GPAGQHVRCBKUKR-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001216980936 774148161 /nfs/dbraw/zinc/14/81/61/774148161.db2.gz VDOCULBUVUHHRI-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](Oc1cc(C[C@H](N)C(=O)N(C)C)ccc1O)C1C[NH2+]C1 ZINC001218198645 774215934 /nfs/dbraw/zinc/21/59/34/774215934.db2.gz OKXVWNHCFOXKDX-MFKMUULPSA-N 1 3 307.394 0.337 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2CCC23C[NH2+]C3)c1 ZINC001218244388 774219285 /nfs/dbraw/zinc/21/92/85/774219285.db2.gz PBFRTVXLQGZNDR-WFASDCNBSA-N 1 3 319.405 0.481 20 0 DCADHO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n[nH]1 ZINC001218499609 774229162 /nfs/dbraw/zinc/22/91/62/774229162.db2.gz ZVLOLPDXGVSGLA-RYUDHWBXSA-N 1 3 322.413 0.104 20 0 DCADHO [NH3+][C@@H]1CCc2nc(NC(=O)c3n[nH]c4c3CNCC4)sc2C1 ZINC001218535867 774240626 /nfs/dbraw/zinc/24/06/26/774240626.db2.gz SZWAEYIXVTUJSA-SSDOTTSWSA-N 1 3 318.406 0.580 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551268 774244998 /nfs/dbraw/zinc/24/49/98/774244998.db2.gz KSVYTKFNHLFGOP-ZDUSSCGKSA-N 1 3 307.398 0.313 20 0 DCADHO N[C@H](C(=O)Nc1ccnn1Cc1cccnc1)C1CC[NH2+]CC1 ZINC001218564023 774247792 /nfs/dbraw/zinc/24/77/92/774247792.db2.gz HITJJKPCVXMGKN-HNNXBMFYSA-N 1 3 314.393 0.592 20 0 DCADHO CCOC(=O)c1cnn2ccc(NC(=O)[C@H](N)CCC[NH3+])cc12 ZINC001218614026 774263283 /nfs/dbraw/zinc/26/32/83/774263283.db2.gz GZUIPOHANOPELG-GFCCVEGCSA-N 1 3 319.365 0.516 20 0 DCADHO N[C@H](C(=O)Nc1cnn2ccc(Cl)nc12)C1CC[NH2+]CC1 ZINC001218615548 774263929 /nfs/dbraw/zinc/26/39/29/774263929.db2.gz DLVAQWFDVSJBMX-NSHDSACASA-N 1 3 308.773 0.648 20 0 DCADHO CCOC(=O)c1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c[nH]1 ZINC001218649670 774271984 /nfs/dbraw/zinc/27/19/84/774271984.db2.gz GMJKDYMTLSHYFC-MEBBXXQBSA-N 1 3 306.366 0.329 20 0 DCADHO Cc1cc(C)c2c(NC(=O)[C@H](N)C3CC[NH2+]CC3)nn(C)c2n1 ZINC001218661818 774275458 /nfs/dbraw/zinc/27/54/58/774275458.db2.gz SHJZBPHBGIMZQC-CYBMUJFWSA-N 1 3 316.409 0.851 20 0 DCADHO Cc1cnn(-c2ccccn2)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218741773 774293326 /nfs/dbraw/zinc/29/33/26/774293326.db2.gz RUJFPHXXSCILQI-AWEZNQCLSA-N 1 3 314.393 0.841 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218994291 774344265 /nfs/dbraw/zinc/34/42/65/774344265.db2.gz CAZBHVXORJFVQX-JSGCOSHPSA-N 1 3 305.378 0.983 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCO[C@H](CNCCF)C1 ZINC001200527814 774361772 /nfs/dbraw/zinc/36/17/72/774361772.db2.gz ABGZIXHUNGMMPW-HUUCEWRRSA-N 1 3 313.417 0.505 20 0 DCADHO [NH3+][C@@H]1CCCN(c2ccc(NC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC001219233578 774417701 /nfs/dbraw/zinc/41/77/01/774417701.db2.gz RRCUIZYLIIASFG-CJNGLKHVSA-N 1 3 318.421 0.931 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201149826 774454751 /nfs/dbraw/zinc/45/47/51/774454751.db2.gz MDQPCJJMLUUKCS-HNNXBMFYSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCO[C@@H](CNCCF)C2)CC[N@@H+]1C ZINC001201245563 774470913 /nfs/dbraw/zinc/47/09/13/774470913.db2.gz JCFNNPRMIIRBNJ-KKUMJFAQSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCO[C@@H](CNCCF)C2)CC[N@H+]1C ZINC001201245563 774470914 /nfs/dbraw/zinc/47/09/14/774470914.db2.gz JCFNNPRMIIRBNJ-KKUMJFAQSA-N 1 3 315.433 0.893 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219438272 774493358 /nfs/dbraw/zinc/49/33/58/774493358.db2.gz LRCOKKJGGPFQJV-LBPRGKRZSA-N 1 3 317.393 0.921 20 0 DCADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336602 774494906 /nfs/dbraw/zinc/49/49/06/774494906.db2.gz WFAAOFHYTSMONO-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO COc1cc2c(cc1NC(=O)C1(N)CC1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500624 774515663 /nfs/dbraw/zinc/51/56/63/774515663.db2.gz FWEVJGHXCDEWJV-OAHLLOKOSA-N 1 3 316.361 0.308 20 0 DCADHO CCOC(=O)c1cc(N)cc(NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001219524777 774522618 /nfs/dbraw/zinc/52/26/18/774522618.db2.gz XCTDXYNBQFDUNR-ZDUSSCGKSA-N 1 3 308.382 0.840 20 0 DCADHO NC1(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)Cc2ccccc2C1 ZINC001219610495 774555994 /nfs/dbraw/zinc/55/59/94/774555994.db2.gz OQZYXTQDUQDWNY-AWEZNQCLSA-N 1 3 313.323 0.893 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635555 774567866 /nfs/dbraw/zinc/56/78/66/774567866.db2.gz LZEZCTHHJGGWSE-GARJFASQSA-N 1 3 303.378 0.252 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219645235 774571344 /nfs/dbraw/zinc/57/13/44/774571344.db2.gz JNXARASYOYLPQQ-XQQFMLRXSA-N 1 3 313.442 0.668 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCCF)C1 ZINC001201924452 774582251 /nfs/dbraw/zinc/58/22/51/774582251.db2.gz LXJJUTHQNMGAAG-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCCF)C1 ZINC001201924452 774582255 /nfs/dbraw/zinc/58/22/55/774582255.db2.gz LXJJUTHQNMGAAG-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1nc2ccccc2[nH]1 ZINC001219702327 774585729 /nfs/dbraw/zinc/58/57/29/774585729.db2.gz ZMMINQXYDZOWGV-PSTGCABASA-N 1 3 313.405 0.939 20 0 DCADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1cc2c(s1)CNCC2 ZINC001219739685 774595538 /nfs/dbraw/zinc/59/55/38/774595538.db2.gz VHBGMAPLSRLTTA-LLVKDONJSA-N 1 3 307.419 0.502 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768944 774601973 /nfs/dbraw/zinc/60/19/73/774601973.db2.gz RDNVWUNEIQDIFV-NHYWBVRUSA-N 1 3 317.405 0.514 20 0 DCADHO N[C@@H](C(=O)NC1CCN(C2CC[NH2+]CC2)CC1)c1cccnc1 ZINC001219794323 774610545 /nfs/dbraw/zinc/61/05/45/774610545.db2.gz XBDZIWVXMNMUFP-MRXNPFEDSA-N 1 3 317.437 0.414 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001219980200 774661666 /nfs/dbraw/zinc/66/16/66/774661666.db2.gz DFUVILJCUAUTNI-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001219980200 774661667 /nfs/dbraw/zinc/66/16/67/774661667.db2.gz DFUVILJCUAUTNI-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC001202487340 774696752 /nfs/dbraw/zinc/69/67/52/774696752.db2.gz SLLHUBXFHDASBC-FZKCQIBNSA-N 1 3 305.426 0.709 20 0 DCADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC001202487340 774696754 /nfs/dbraw/zinc/69/67/54/774696754.db2.gz SLLHUBXFHDASBC-FZKCQIBNSA-N 1 3 305.426 0.709 20 0 DCADHO CSCC[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(C)(C)O ZINC001220145743 774708869 /nfs/dbraw/zinc/70/88/69/774708869.db2.gz OFQWSTWYAWFQTK-VXGBXAGGSA-N 1 3 303.472 0.322 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495880 774723588 /nfs/dbraw/zinc/72/35/88/774723588.db2.gz KASMFPPTSDHRDF-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO [NH3+]CCCNCC(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC001220245148 774744429 /nfs/dbraw/zinc/74/44/29/774744429.db2.gz ICCWWPKJMRHQSJ-UHFFFAOYSA-N 1 3 302.382 0.069 20 0 DCADHO CC(C)Oc1ccc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001220280023 774755609 /nfs/dbraw/zinc/75/56/09/774755609.db2.gz KPCIYGMSJIEPQT-INIZCTEOSA-N 1 3 317.433 0.942 20 0 DCADHO O=C(NCc1ccc(Cl)nn1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220368220 774784026 /nfs/dbraw/zinc/78/40/26/774784026.db2.gz AEWYOECAKDFXQF-LLVKDONJSA-N 1 3 309.801 0.620 20 0 DCADHO O=C(NCc1ccc(Cl)nn1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220368220 774784028 /nfs/dbraw/zinc/78/40/28/774784028.db2.gz AEWYOECAKDFXQF-LLVKDONJSA-N 1 3 309.801 0.620 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)CN(CC)CC ZINC001114353114 774810705 /nfs/dbraw/zinc/81/07/05/774810705.db2.gz MTOOETCKIQYBNE-LJISPDSOSA-N 1 3 315.433 0.749 20 0 DCADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)CN(CC)CC ZINC001114353114 774810714 /nfs/dbraw/zinc/81/07/14/774810714.db2.gz MTOOETCKIQYBNE-LJISPDSOSA-N 1 3 315.433 0.749 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114408900 774845086 /nfs/dbraw/zinc/84/50/86/774845086.db2.gz CLAXDCFRLDJICS-FXUDXRNXSA-N 1 3 309.454 0.800 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114408900 774845095 /nfs/dbraw/zinc/84/50/95/774845095.db2.gz CLAXDCFRLDJICS-FXUDXRNXSA-N 1 3 309.454 0.800 20 0 DCADHO COc1ccc2c(c1)[C@@H](NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001220634059 774871221 /nfs/dbraw/zinc/87/12/21/774871221.db2.gz HHXRRPRNTKYQEQ-RPVQJOFSSA-N 1 3 315.417 0.998 20 0 DCADHO O=C(C[C@H]1CNCCO1)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651234 774876995 /nfs/dbraw/zinc/87/69/95/774876995.db2.gz HMEFYEUFROUEMS-HNNXBMFYSA-N 1 3 318.421 0.091 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC001220706664 774896759 /nfs/dbraw/zinc/89/67/59/774896759.db2.gz IBDGFXPBQXLOMA-OAHLLOKOSA-N 1 3 301.394 0.614 20 0 DCADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3CNCc4ccnn4C3)(C1)CCC2 ZINC001220775418 774912649 /nfs/dbraw/zinc/91/26/49/774912649.db2.gz WVFZAXSVDAJCEJ-VBNZEHGJSA-N 1 3 303.410 0.523 20 0 DCADHO COC(=O)c1cncc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)c1 ZINC001220843351 774933124 /nfs/dbraw/zinc/93/31/24/774933124.db2.gz SFCKPFUGBNQLNQ-AWEZNQCLSA-N 1 3 322.409 0.544 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001220920930 774952781 /nfs/dbraw/zinc/95/27/81/774952781.db2.gz SOQNYCGFDIJDDL-FZMZJTMJSA-N 1 3 322.384 0.223 20 0 DCADHO N[C@@H](CC[NH3+])C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926199 774954106 /nfs/dbraw/zinc/95/41/06/774954106.db2.gz AYCIHRBUWTVXIX-HNNXBMFYSA-N 1 3 305.426 0.086 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCC1CCN(c2cnccn2)CC1 ZINC001220932335 774955599 /nfs/dbraw/zinc/95/55/99/774955599.db2.gz KQPAMPYLAFCNHV-AWEZNQCLSA-N 1 3 320.441 0.266 20 0 DCADHO O=C(N[C@@H](c1ccnc(F)c1)C1CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221053711 774985642 /nfs/dbraw/zinc/98/56/42/774985642.db2.gz JHMIWBVZBYFXMO-TZMCWYRMSA-N 1 3 304.369 0.597 20 0 DCADHO COc1cccc(C2(NC(=O)[C@H](CN)OC)CC[NH2+]CC2)c1 ZINC001221096554 774995197 /nfs/dbraw/zinc/99/51/97/774995197.db2.gz ZJCLSEVDWHUGKO-AWEZNQCLSA-N 1 3 307.394 0.364 20 0 DCADHO NC(C(=O)NCC1(c2ccccn2)CC[NH2+]CC1)C(F)(F)F ZINC001221114346 774999147 /nfs/dbraw/zinc/99/91/47/774999147.db2.gz WIOGAPNTZFVBFP-NSHDSACASA-N 1 3 316.327 0.709 20 0 DCADHO CC(C)CC1(NC(=O)[C@@H](N)CCC[NH3+])CCS(=O)(=O)CC1 ZINC001221214283 775024640 /nfs/dbraw/zinc/02/46/40/775024640.db2.gz AAJDXHVYHJQAHX-LBPRGKRZSA-N 1 3 319.471 0.162 20 0 DCADHO CN[C@@H](CO)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205569 775025249 /nfs/dbraw/zinc/02/52/49/775025249.db2.gz YQNCQZJCFHXSOA-HOTGVXAUSA-N 1 3 323.412 0.953 20 0 DCADHO CC(=O)Nc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001221336127 775071942 /nfs/dbraw/zinc/07/19/42/775071942.db2.gz KYJBASWFJZNNQE-IAQYHMDHSA-N 1 3 316.405 0.631 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnc([C@@H](C)N)s1 ZINC001221390266 775082407 /nfs/dbraw/zinc/08/24/07/775082407.db2.gz CMFBMAZJBCHEKB-SECBINFHSA-N 1 3 312.443 0.840 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)NC1 ZINC001221390552 775083758 /nfs/dbraw/zinc/08/37/58/775083758.db2.gz FABQGYUMEYNOSV-YOEHRIQHSA-N 1 3 302.422 0.554 20 0 DCADHO COCC1(NC(=O)[C@@H]2C[NH2+]CC23CNC3)Cc2ccccc2C1 ZINC001221396553 775085264 /nfs/dbraw/zinc/08/52/64/775085264.db2.gz QNSFGDUQXNYODE-HNNXBMFYSA-N 1 3 315.417 0.096 20 0 DCADHO CN1CCC(CO)(NC(=O)C[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001221402705 775087649 /nfs/dbraw/zinc/08/76/49/775087649.db2.gz LBHRMVLHJGTUDF-GFCCVEGCSA-N 1 3 301.431 0.092 20 0 DCADHO c1ccc2c(c1)C[NH2+][C@H](CN1CCOC[C@@]3(CNCCO3)C1)C2 ZINC001222186373 775293852 /nfs/dbraw/zinc/29/38/52/775293852.db2.gz GCXKCTHUPLJCII-ZWKOTPCHSA-N 1 3 317.433 0.392 20 0 DCADHO CC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@]3(CCCCN3)C2)C1 ZINC001222669076 775411614 /nfs/dbraw/zinc/41/16/14/775411614.db2.gz RLLPOAHJWPZTQX-IAGOWNOFSA-N 1 3 308.470 0.662 20 0 DCADHO CCN1CC[C@@H](N2CCC(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001224346533 775562064 /nfs/dbraw/zinc/56/20/64/775562064.db2.gz LQYLQZPAVCCLKJ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226824890 775881381 /nfs/dbraw/zinc/88/13/81/775881381.db2.gz QPRVGPADDKFYMX-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1)N(C)C ZINC001228646487 776108117 /nfs/dbraw/zinc/10/81/17/776108117.db2.gz GFPGENABDDWDPB-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801578 776226706 /nfs/dbraw/zinc/22/67/06/776226706.db2.gz RIHHINUIMABOBK-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC ZINC001229869104 776231674 /nfs/dbraw/zinc/23/16/74/776231674.db2.gz XLDFIDUPDPJFTQ-RBSFLKMASA-N 1 3 315.458 0.353 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001230366814 776286425 /nfs/dbraw/zinc/28/64/25/776286425.db2.gz JGORWXHLLSUWBP-UHFFFAOYSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001317586844 945087348 /nfs/dbraw/zinc/08/73/48/945087348.db2.gz QSFUHYJOXQOEBV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001317586844 945087357 /nfs/dbraw/zinc/08/73/57/945087357.db2.gz QSFUHYJOXQOEBV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001317598878 945100851 /nfs/dbraw/zinc/10/08/51/945100851.db2.gz UDSRNSZRXKQMLZ-INIZCTEOSA-N 1 3 322.453 0.520 20 0 DCADHO CC[NH+]1CCC(CN2CC[C@H]3C[C@]32C(=O)NCC2COC2)CC1 ZINC001278133709 945149584 /nfs/dbraw/zinc/14/95/84/945149584.db2.gz HDHZIGYQBFJKGH-FUHWJXTLSA-N 1 3 321.465 0.945 20 0 DCADHO CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)CN1CCCC1 ZINC001317662221 945152459 /nfs/dbraw/zinc/15/24/59/945152459.db2.gz WPKDVFVGOJYGLC-UHFFFAOYSA-N 1 3 306.410 0.029 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273018742 945195489 /nfs/dbraw/zinc/19/54/89/945195489.db2.gz NYQQYJAOUUQPST-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001273018742 945195494 /nfs/dbraw/zinc/19/54/94/945195494.db2.gz NYQQYJAOUUQPST-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001273019023 945195711 /nfs/dbraw/zinc/19/57/11/945195711.db2.gz QWJDDEDUJTXMJC-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001266565539 939166258 /nfs/dbraw/zinc/16/62/58/939166258.db2.gz BXBSLZIUJCVFRH-QWHCGFSZSA-N 1 3 317.380 0.697 20 0 DCADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266731079 939223146 /nfs/dbraw/zinc/22/31/46/939223146.db2.gz QFUNJSNXMKZOKJ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266731079 939223147 /nfs/dbraw/zinc/22/31/47/939223147.db2.gz QFUNJSNXMKZOKJ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001408644457 939494950 /nfs/dbraw/zinc/49/49/50/939494950.db2.gz KUTVRMJEQIWWGR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N(C)CC)CC[N@@H+]1C ZINC001481231485 939655022 /nfs/dbraw/zinc/65/50/22/939655022.db2.gz CJDVSPUCPBLWNV-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N(C)CC)CC[N@H+]1C ZINC001481231485 939655024 /nfs/dbraw/zinc/65/50/24/939655024.db2.gz CJDVSPUCPBLWNV-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481242785 939664043 /nfs/dbraw/zinc/66/40/43/939664043.db2.gz VWRGYZVEEOBLQG-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001481242785 939664045 /nfs/dbraw/zinc/66/40/45/939664045.db2.gz VWRGYZVEEOBLQG-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(=O)NC1CC1 ZINC001481246153 939667519 /nfs/dbraw/zinc/66/75/19/939667519.db2.gz NRIKWDASJHZMLG-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001481303275 939733583 /nfs/dbraw/zinc/73/35/83/939733583.db2.gz XUVYIINKJWLFAK-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481303275 939733585 /nfs/dbraw/zinc/73/35/85/939733585.db2.gz XUVYIINKJWLFAK-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268474802 940172159 /nfs/dbraw/zinc/17/21/59/940172159.db2.gz WFOCKSJHMWMBNE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268474802 940172160 /nfs/dbraw/zinc/17/21/60/940172160.db2.gz WFOCKSJHMWMBNE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O ZINC001482060831 940239167 /nfs/dbraw/zinc/23/91/67/940239167.db2.gz VPYMTSKHOOSNQD-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO COC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001245983824 945305709 /nfs/dbraw/zinc/30/57/09/945305709.db2.gz JOHZUJBDQOGHNO-HRCADAONSA-N 1 3 323.437 0.178 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001268574752 940250341 /nfs/dbraw/zinc/25/03/41/940250341.db2.gz LYHHOFBCJMDTDX-OKYAQOQYSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001268590469 940272079 /nfs/dbraw/zinc/27/20/79/940272079.db2.gz GVMOKRFCSOLHGQ-QJTIAFMVSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001268590469 940272080 /nfs/dbraw/zinc/27/20/80/940272080.db2.gz GVMOKRFCSOLHGQ-QJTIAFMVSA-N 1 3 310.442 0.067 20 0 DCADHO CC(C)N(C)C(=O)CNC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268591476 940273331 /nfs/dbraw/zinc/27/33/31/940273331.db2.gz RBIRSAKDJHCNSA-IYKSTZQJSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)C(=O)CNC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268591476 940273334 /nfs/dbraw/zinc/27/33/34/940273334.db2.gz RBIRSAKDJHCNSA-IYKSTZQJSA-N 1 3 324.469 0.457 20 0 DCADHO CN1CC[C@@H](NC/C=C\CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001268597346 940289326 /nfs/dbraw/zinc/28/93/26/940289326.db2.gz RHLXCFXYDWVNTK-ABCZVMIZSA-N 1 3 322.453 0.211 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cnnn2C)CCCC1 ZINC001482233579 940738828 /nfs/dbraw/zinc/73/88/28/940738828.db2.gz DEMLEEYYIBTLAW-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cnnn2C)CCCC1 ZINC001482233579 940738829 /nfs/dbraw/zinc/73/88/29/940738829.db2.gz DEMLEEYYIBTLAW-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCCC1 ZINC001482236113 940752132 /nfs/dbraw/zinc/75/21/32/940752132.db2.gz DRDNWMOQLCDVDP-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1nnc(CNCCC2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001269901771 940796278 /nfs/dbraw/zinc/79/62/78/940796278.db2.gz IAYKAJHLIWTDHY-UHFFFAOYSA-N 1 3 322.457 0.783 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](NC[C@@]23CCCO[C@@H]2CC[NH2+]C3)CN1 ZINC001246151405 945350562 /nfs/dbraw/zinc/35/05/62/945350562.db2.gz NJAMDZZEWVYXNS-CTASWTNQSA-N 1 3 311.426 0.028 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001482268636 940843015 /nfs/dbraw/zinc/84/30/15/940843015.db2.gz ZJTUADQBEMAFNX-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001422455937 940874799 /nfs/dbraw/zinc/87/47/99/940874799.db2.gz QHIMJHZCWAEQHS-OLZOCXBDSA-N 1 3 300.447 0.334 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCN1CCCC1=O ZINC001270420451 940898349 /nfs/dbraw/zinc/89/83/49/940898349.db2.gz UAZLDQIZVSHXDH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Brc1cc(CN[C@H]2CCNC3(C[NH2+]C3)C2)on1 ZINC001246199991 945359963 /nfs/dbraw/zinc/35/99/63/945359963.db2.gz ZPVZDNYYPSDHCB-QMMMGPOBSA-N 1 3 301.188 0.621 20 0 DCADHO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293742 940915311 /nfs/dbraw/zinc/91/53/11/940915311.db2.gz YOGKDLHTOAMWLB-ZDUSSCGKSA-N 1 3 308.430 0.199 20 0 DCADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)CN1 ZINC001246210047 945361525 /nfs/dbraw/zinc/36/15/25/945361525.db2.gz ODOXAEGJNAMUFL-BYGOPZEFSA-N 1 3 314.426 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001270672869 940961878 /nfs/dbraw/zinc/96/18/78/940961878.db2.gz OZUQWWCFHBANKJ-HNNXBMFYSA-N 1 3 317.437 0.512 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001270672869 940961880 /nfs/dbraw/zinc/96/18/80/940961880.db2.gz OZUQWWCFHBANKJ-HNNXBMFYSA-N 1 3 317.437 0.512 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOCC2CC2)C1 ZINC001318444691 945365383 /nfs/dbraw/zinc/36/53/83/945365383.db2.gz FNWNJLPDMXFYCM-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOCC2CC2)C1 ZINC001318444691 945365396 /nfs/dbraw/zinc/36/53/96/945365396.db2.gz FNWNJLPDMXFYCM-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO NC(=O)C1CC[NH+](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001270782754 940989313 /nfs/dbraw/zinc/98/93/13/940989313.db2.gz IEIVZICRJBTLSA-UHFFFAOYSA-N 1 3 319.409 0.141 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001482368993 941025196 /nfs/dbraw/zinc/02/51/96/941025196.db2.gz KDKXVTCOUIKRIF-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001482433590 941219596 /nfs/dbraw/zinc/21/95/96/941219596.db2.gz LCAJUNDDENBCGS-GXTWGEPZSA-N 1 3 321.425 0.305 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001271538432 941399145 /nfs/dbraw/zinc/39/91/45/941399145.db2.gz YIXPNWBDJYYJJQ-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCn1ccnc1)C2 ZINC001271538432 941399147 /nfs/dbraw/zinc/39/91/47/941399147.db2.gz YIXPNWBDJYYJJQ-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCn2cncn2)C1 ZINC001271700411 941425557 /nfs/dbraw/zinc/42/55/57/941425557.db2.gz RHNWALYHYAVBEP-LSDHHAIUSA-N 1 3 322.457 0.304 20 0 DCADHO CN1CCC(O)(C(=O)N2CC3(C2)C[NH+](C2CCCC2)C3)CC1 ZINC001271801881 941454823 /nfs/dbraw/zinc/45/48/23/941454823.db2.gz MEYVWXBDSXHLFW-UHFFFAOYSA-N 1 3 307.438 0.530 20 0 DCADHO CCN1CC[C@H]([NH2+]CC[C@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001482839661 941685879 /nfs/dbraw/zinc/68/58/79/941685879.db2.gz LZZDHTIJTJSBKU-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCOCC(F)(F)F ZINC001482990597 941761643 /nfs/dbraw/zinc/76/16/43/941761643.db2.gz DUUILBSORQFQOB-QAVQXKDTSA-N 1 3 323.359 0.922 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001483474631 942377070 /nfs/dbraw/zinc/37/70/70/942377070.db2.gz SJIQJOYEGXXMMA-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CN(CCC[NH2+]Cc1cnn(C)c1)C(=O)[C@@H]1CCCCN1C ZINC001483485868 942381479 /nfs/dbraw/zinc/38/14/79/942381479.db2.gz MZZNXADGUBRFLR-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)c1 ZINC001483608317 942461324 /nfs/dbraw/zinc/46/13/24/942461324.db2.gz RNILCYDPXHJXAI-OAHLLOKOSA-N 1 3 318.421 0.332 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001127082802 942466855 /nfs/dbraw/zinc/46/68/55/942466855.db2.gz ZENOCQBBIAQATM-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001127082802 942466858 /nfs/dbraw/zinc/46/68/58/942466858.db2.gz ZENOCQBBIAQATM-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001413069921 942468335 /nfs/dbraw/zinc/46/83/35/942468335.db2.gz GGWWWTLHWWGFDM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001413069921 942468337 /nfs/dbraw/zinc/46/83/37/942468337.db2.gz GGWWWTLHWWGFDM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001272437274 942755534 /nfs/dbraw/zinc/75/55/34/942755534.db2.gz HLLQFMGWXDVWFO-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]CCn2cccn2)C1 ZINC001272641455 942881235 /nfs/dbraw/zinc/88/12/35/942881235.db2.gz INRKYTBODZCXRO-INIZCTEOSA-N 1 3 319.453 0.807 20 0 DCADHO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2cccnc2)C1 ZINC001484207703 943201598 /nfs/dbraw/zinc/20/15/98/943201598.db2.gz IXQZIQDFKGPYNG-RDJZCZTQSA-N 1 3 318.421 0.229 20 0 DCADHO CN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001484207703 943201602 /nfs/dbraw/zinc/20/16/02/943201602.db2.gz IXQZIQDFKGPYNG-RDJZCZTQSA-N 1 3 318.421 0.229 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793850 943387707 /nfs/dbraw/zinc/38/77/07/943387707.db2.gz NQPACRKWVQFKPO-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493793850 943387713 /nfs/dbraw/zinc/38/77/13/943387713.db2.gz NQPACRKWVQFKPO-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO Cn1nncc1CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484548346 943448685 /nfs/dbraw/zinc/44/86/85/943448685.db2.gz BVORDIKSJXUQKE-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1nncc1CNCC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484548346 943448687 /nfs/dbraw/zinc/44/86/87/943448687.db2.gz BVORDIKSJXUQKE-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCOCCO)CC1)N(C)C ZINC001484718456 943534658 /nfs/dbraw/zinc/53/46/58/943534658.db2.gz PQNXNJXDLOCHIS-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCOCCO)CC1)N(C)C ZINC001484718456 943534659 /nfs/dbraw/zinc/53/46/59/943534659.db2.gz PQNXNJXDLOCHIS-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001491192102 943821346 /nfs/dbraw/zinc/82/13/46/943821346.db2.gz ZFUPGMCXTKHKLQ-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCC1 ZINC001491384518 943956473 /nfs/dbraw/zinc/95/64/73/943956473.db2.gz VWSUXRHCQFCMSR-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CCC1 ZINC001491384518 943956476 /nfs/dbraw/zinc/95/64/76/943956476.db2.gz VWSUXRHCQFCMSR-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001485833922 944264401 /nfs/dbraw/zinc/26/44/01/944264401.db2.gz NGCODUXDWPOJMX-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001485833922 944264409 /nfs/dbraw/zinc/26/44/09/944264409.db2.gz NGCODUXDWPOJMX-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CN(CCC1CC[NH+](C)CC1)C2 ZINC001276727892 944277905 /nfs/dbraw/zinc/27/79/05/944277905.db2.gz UUINHSQCRKLVGY-CALCHBBNSA-N 1 3 322.497 0.955 20 0 DCADHO COCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001276802755 944304547 /nfs/dbraw/zinc/30/45/47/944304547.db2.gz VVRUTHSQPQZXLC-GXTWGEPZSA-N 1 3 310.398 0.194 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(=O)N(C)C ZINC001485894963 944388458 /nfs/dbraw/zinc/38/84/58/944388458.db2.gz IKQBBVITFRRKPQ-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC)C1 ZINC001485912160 944399916 /nfs/dbraw/zinc/39/99/16/944399916.db2.gz MIVHIPPSXPJWPS-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC)C1 ZINC001485912160 944399925 /nfs/dbraw/zinc/39/99/25/944399925.db2.gz MIVHIPPSXPJWPS-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)N[C@H]2CCNC2=O)CC1 ZINC001485943482 944424538 /nfs/dbraw/zinc/42/45/38/944424538.db2.gz XDGZRYHBTQPYAS-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001486123195 944578691 /nfs/dbraw/zinc/57/86/91/944578691.db2.gz ZEMWTYHVLNPHJL-JSGCOSHPSA-N 1 3 322.453 0.186 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001486131368 944584847 /nfs/dbraw/zinc/58/48/47/944584847.db2.gz UXYNRCNSKZATHF-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001486135252 944590757 /nfs/dbraw/zinc/59/07/57/944590757.db2.gz OHKDFEDPDXXUEI-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCNC(=O)CC[NH+]1CCCCC1)[C@@H]1CCCNC1=O ZINC001316870526 944607150 /nfs/dbraw/zinc/60/71/50/944607150.db2.gz PTNKOBDFMOYXDT-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001486233922 944685345 /nfs/dbraw/zinc/68/53/45/944685345.db2.gz FJGVEQHHOPAQKX-GXTWGEPZSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(CC4CC4)C[C@H]23)CC1 ZINC001277241417 944719803 /nfs/dbraw/zinc/71/98/03/944719803.db2.gz TXFLZWIOUURWON-UONOGXRCSA-N 1 3 306.410 0.293 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C)C(N)=O ZINC001486411573 944863281 /nfs/dbraw/zinc/86/32/81/944863281.db2.gz NYCKRYPLZHHLLL-NEPJUHHUSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246258310 945370630 /nfs/dbraw/zinc/37/06/30/945370630.db2.gz WDYBNRHESSRONQ-DARAHFNDSA-N 1 3 311.426 0.171 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](NCCN2CCC([NH3+])CC2)CN1 ZINC001246406304 945404553 /nfs/dbraw/zinc/40/45/53/945404553.db2.gz NZCGEHDVMYLMPS-KBPBESRZSA-N 1 3 312.458 0.071 20 0 DCADHO [NH3+]C[C@]1(O)CCCCN(C2CCN(c3ncccn3)CC2)C1 ZINC001246559113 945432777 /nfs/dbraw/zinc/43/27/77/945432777.db2.gz NJKFQJWGSBCGHR-MRXNPFEDSA-N 1 3 305.426 0.621 20 0 DCADHO NC[C@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@H]1O ZINC001246580741 945435455 /nfs/dbraw/zinc/43/54/55/945435455.db2.gz OKIGPIGGPLVMME-ARFHVFGLSA-N 1 3 303.406 0.429 20 0 DCADHO NC[C@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@H]1O ZINC001246580741 945435468 /nfs/dbraw/zinc/43/54/68/945435468.db2.gz OKIGPIGGPLVMME-ARFHVFGLSA-N 1 3 303.406 0.429 20 0 DCADHO O=C1CC[C@@H]2C[C@H](N3CC[NH2+]C[C@]4(CCCCN4)C3)CCN12 ZINC001246634812 945449121 /nfs/dbraw/zinc/44/91/21/945449121.db2.gz RLCRSJYWLMILTF-BFYDXBDKSA-N 1 3 306.454 0.557 20 0 DCADHO CC(=O)N1CCO[C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]21 ZINC001246695490 945461871 /nfs/dbraw/zinc/46/18/71/945461871.db2.gz OYCYLFVHYKAQBA-ALILYOIUSA-N 1 3 307.438 0.981 20 0 DCADHO c1ncc(O[C@@H]2C[C@H]3CN([C@@H]4CCC[NH2+]C4)CCN3C2)cn1 ZINC001246709449 945468053 /nfs/dbraw/zinc/46/80/53/945468053.db2.gz OGPJPQOGCBELFB-QLFBSQMISA-N 1 3 303.410 0.366 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21)NC1CCC1 ZINC001246747456 945481417 /nfs/dbraw/zinc/48/14/17/945481417.db2.gz KMMPRIRXQVBAKX-CPUCHLNUSA-N 1 3 321.465 0.992 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21)NC1CCC1 ZINC001246747456 945481419 /nfs/dbraw/zinc/48/14/19/945481419.db2.gz KMMPRIRXQVBAKX-CPUCHLNUSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CCN1 ZINC001246745505 945481444 /nfs/dbraw/zinc/48/14/44/945481444.db2.gz PAHFXESOPVIVBJ-ZDRJDWQYSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CCN1 ZINC001246745505 945481448 /nfs/dbraw/zinc/48/14/48/945481448.db2.gz PAHFXESOPVIVBJ-ZDRJDWQYSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CCN1 ZINC001246745504 945481841 /nfs/dbraw/zinc/48/18/41/945481841.db2.gz PAHFXESOPVIVBJ-KBEGMRNHSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CCN1 ZINC001246745504 945481846 /nfs/dbraw/zinc/48/18/46/945481846.db2.gz PAHFXESOPVIVBJ-KBEGMRNHSA-N 1 3 321.465 0.992 20 0 DCADHO COc1cccc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246864714 945508190 /nfs/dbraw/zinc/50/81/90/945508190.db2.gz PTNRLMKEQTZITP-CQSZACIVSA-N 1 3 317.437 0.306 20 0 DCADHO c1cc(-c2noc(CNC3CC[NH2+]CC3)n2)nc2c1CNCC2 ZINC001247702689 945568166 /nfs/dbraw/zinc/56/81/66/945568166.db2.gz IKYWZHZGXOYXOR-UHFFFAOYSA-N 1 3 314.393 0.619 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001319594962 945626442 /nfs/dbraw/zinc/62/64/42/945626442.db2.gz XSKRJDBRCYYGMA-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@@H]([NH2+]CCOCCO)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001319819010 945671978 /nfs/dbraw/zinc/67/19/78/945671978.db2.gz IZURWKRYMLPIAL-KGLIPLIRSA-N 1 3 324.425 0.178 20 0 DCADHO C[NH+]1CCC(CN2CCN(C[C@@H](O)C(F)(F)F)CC2)CC1 ZINC001250972975 945696193 /nfs/dbraw/zinc/69/61/93/945696193.db2.gz CHZUQBWAVIZJEJ-CYBMUJFWSA-N 1 3 309.376 0.869 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001320004377 945715944 /nfs/dbraw/zinc/71/59/44/945715944.db2.gz DCUAVJHQKHQPPX-UHFFFAOYSA-N 1 3 313.442 0.766 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001487436871 945769926 /nfs/dbraw/zinc/76/99/26/945769926.db2.gz FJQVZNHUJBJTTR-AJNGGQMLSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001487436871 945769932 /nfs/dbraw/zinc/76/99/32/945769932.db2.gz FJQVZNHUJBJTTR-AJNGGQMLSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001251766298 945778633 /nfs/dbraw/zinc/77/86/33/945778633.db2.gz DPGWUDYPABTFNY-OAHLLOKOSA-N 1 3 307.438 0.581 20 0 DCADHO CC[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001251766298 945778640 /nfs/dbraw/zinc/77/86/40/945778640.db2.gz DPGWUDYPABTFNY-OAHLLOKOSA-N 1 3 307.438 0.581 20 0 DCADHO COC(=O)[C@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001252443710 945931682 /nfs/dbraw/zinc/93/16/82/945931682.db2.gz HBTSQSPXZZZOAQ-OAHLLOKOSA-N 1 3 307.394 0.417 20 0 DCADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(c2ccncn2)CC1 ZINC001253411639 946118693 /nfs/dbraw/zinc/11/86/93/946118693.db2.gz QZPPCTDEGBBKMG-AWEZNQCLSA-N 1 3 307.442 0.784 20 0 DCADHO CN(C)C(=O)N1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253409169 946118945 /nfs/dbraw/zinc/11/89/45/946118945.db2.gz QLBJVUFAMFEBLI-ZDUSSCGKSA-N 1 3 300.447 0.471 20 0 DCADHO CN(C)C(=O)N1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253409169 946118954 /nfs/dbraw/zinc/11/89/54/946118954.db2.gz QLBJVUFAMFEBLI-ZDUSSCGKSA-N 1 3 300.447 0.471 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001321251245 946240248 /nfs/dbraw/zinc/24/02/48/946240248.db2.gz JTTGBHFODWLCQB-JGUVHBTRSA-N 1 3 324.469 0.505 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410429963 946359115 /nfs/dbraw/zinc/35/91/15/946359115.db2.gz PIBZNEBXYGJSEP-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410429963 946359126 /nfs/dbraw/zinc/35/91/26/946359126.db2.gz PIBZNEBXYGJSEP-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001273269214 946376783 /nfs/dbraw/zinc/37/67/83/946376783.db2.gz XPHHYYFRXZFIHA-KGLIPLIRSA-N 1 3 301.406 0.647 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001273269214 946376787 /nfs/dbraw/zinc/37/67/87/946376787.db2.gz XPHHYYFRXZFIHA-KGLIPLIRSA-N 1 3 301.406 0.647 20 0 DCADHO CCS(=O)(=O)N(C1CC[NH2+]CC1)[C@@H]1CCCN(C)CC1 ZINC001254529426 946406737 /nfs/dbraw/zinc/40/67/37/946406737.db2.gz FOFNIUXAGXMHGK-CYBMUJFWSA-N 1 3 303.472 0.874 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001410458117 946409707 /nfs/dbraw/zinc/40/97/07/946409707.db2.gz VBWFJTVLCSTLTC-OBJOEFQTSA-N 1 3 322.457 0.780 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001410458117 946409711 /nfs/dbraw/zinc/40/97/11/946409711.db2.gz VBWFJTVLCSTLTC-OBJOEFQTSA-N 1 3 322.457 0.780 20 0 DCADHO COC[C@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255570636 946526142 /nfs/dbraw/zinc/52/61/42/946526142.db2.gz JSYXYURPYPUSAN-AWEZNQCLSA-N 1 3 307.438 0.845 20 0 DCADHO COC[C@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001255570636 946526147 /nfs/dbraw/zinc/52/61/47/946526147.db2.gz JSYXYURPYPUSAN-AWEZNQCLSA-N 1 3 307.438 0.845 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001321991432 946540771 /nfs/dbraw/zinc/54/07/71/946540771.db2.gz NRCUBJPJFWYGNI-KGLIPLIRSA-N 1 3 307.442 0.399 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@H](C)NC(=O)Cc2nc[nH]c2C)n1 ZINC001322059396 946564811 /nfs/dbraw/zinc/56/48/11/946564811.db2.gz GFKXCYIUILXZFB-JTQLQIEISA-N 1 3 320.397 0.679 20 0 DCADHO [NH3+]CCN1CCN(C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255970255 946565006 /nfs/dbraw/zinc/56/50/06/946565006.db2.gz PLSDRTHYOXODLQ-UHFFFAOYSA-N 1 3 308.348 0.116 20 0 DCADHO CC(C)OCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001273322396 946601295 /nfs/dbraw/zinc/60/12/95/946601295.db2.gz FNIIAJATODJBCC-HNNXBMFYSA-N 1 3 324.425 0.584 20 0 DCADHO O=C1NC[C@@H]2CC[N@@H+](C3CCC(N4CCOCC4)CC3)C[C@H]12 ZINC001256698344 946655612 /nfs/dbraw/zinc/65/56/12/946655612.db2.gz NCVAEURRRFCTOW-LBDPXKHJSA-N 1 3 307.438 0.698 20 0 DCADHO O=C1NC[C@@H]2CC[N@H+](C3CCC(N4CCOCC4)CC3)C[C@H]12 ZINC001256698344 946655615 /nfs/dbraw/zinc/65/56/15/946655615.db2.gz NCVAEURRRFCTOW-LBDPXKHJSA-N 1 3 307.438 0.698 20 0 DCADHO O=C1CO[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)CN1 ZINC001258135387 946803745 /nfs/dbraw/zinc/80/37/45/946803745.db2.gz DYIWLSJMZGONQX-KRWDZBQOSA-N 1 3 317.433 0.798 20 0 DCADHO Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001410726497 946847420 /nfs/dbraw/zinc/84/74/20/946847420.db2.gz OHVPEGFHNRRFDV-NVXWUHKLSA-N 1 3 319.449 0.904 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001410738485 946865186 /nfs/dbraw/zinc/86/51/86/946865186.db2.gz LAEZXYGKZJIRHR-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)C1CC1 ZINC001323499952 947106024 /nfs/dbraw/zinc/10/60/24/947106024.db2.gz FJJFYMNFNPKLNZ-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C1CC1 ZINC001410969426 947178055 /nfs/dbraw/zinc/17/80/55/947178055.db2.gz CEJNWDVOZBLWEL-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001411121401 947357870 /nfs/dbraw/zinc/35/78/70/947357870.db2.gz DDMWGRIGDHFWRX-BBRMVZONSA-N 1 3 323.437 0.152 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C(C)(C)C ZINC001411215624 947496364 /nfs/dbraw/zinc/49/63/64/947496364.db2.gz HLACWHQINBGVPZ-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO COc1cc(NCCCNC[C@@H](O)C[NH+]2CCCC2)ncn1 ZINC001262575612 947732905 /nfs/dbraw/zinc/73/29/05/947732905.db2.gz UMXHGHGHAJZSRE-CYBMUJFWSA-N 1 3 309.414 0.334 20 0 DCADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153652 947777140 /nfs/dbraw/zinc/77/71/40/947777140.db2.gz FNUJQFQCCDSNAE-FZKCQIBNSA-N 1 3 309.454 0.965 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179420199 947847017 /nfs/dbraw/zinc/84/70/17/947847017.db2.gz HOBXQUBPRZHGPD-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179476328 947849610 /nfs/dbraw/zinc/84/96/10/947849610.db2.gz RBRFSQABZGYPBA-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534731 947853376 /nfs/dbraw/zinc/85/33/76/947853376.db2.gz SWFVLIFRLUJJFR-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779374 947904392 /nfs/dbraw/zinc/90/43/92/947904392.db2.gz LZRNDLFCTYZCME-ILXRZTDVSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)CCN1C[C@@]2(F)CN(CCC[NH+](C)C)C[C@@]2(F)C1=O ZINC001273712588 948043190 /nfs/dbraw/zinc/04/31/90/948043190.db2.gz XQSRROCTQGVNAV-LSDHHAIUSA-N 1 3 318.412 0.074 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1=O ZINC001273785656 948092927 /nfs/dbraw/zinc/09/29/27/948092927.db2.gz VWRDLJUSMCPLJM-INIZCTEOSA-N 1 3 305.426 0.369 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1=O ZINC001273785656 948092932 /nfs/dbraw/zinc/09/29/32/948092932.db2.gz VWRDLJUSMCPLJM-INIZCTEOSA-N 1 3 305.426 0.369 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCO[C@@H](CNC/C=C\Cl)C2)CC1 ZINC001327019316 948365030 /nfs/dbraw/zinc/36/50/30/948365030.db2.gz KGJYCESIBKEWHB-DQWBNOTDSA-N 1 3 315.845 0.898 20 0 DCADHO CNC(=O)C(C)(C)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273839238 948464246 /nfs/dbraw/zinc/46/42/46/948464246.db2.gz IECOPILNQPPNJQ-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001488580340 948959789 /nfs/dbraw/zinc/95/97/89/948959789.db2.gz KXXZJDRLHPEKER-NFOMZHRRSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001488580340 948959803 /nfs/dbraw/zinc/95/98/03/948959803.db2.gz KXXZJDRLHPEKER-NFOMZHRRSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](CN1CCOCC1)C[N@@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC001364381521 949154256 /nfs/dbraw/zinc/15/42/56/949154256.db2.gz LRRQVGYJYUBEJZ-HOTGVXAUSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H](CN1CCOCC1)C[N@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC001364381521 949154263 /nfs/dbraw/zinc/15/42/63/949154263.db2.gz LRRQVGYJYUBEJZ-HOTGVXAUSA-N 1 3 313.486 0.732 20 0 DCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]CCF ZINC001489017647 949434061 /nfs/dbraw/zinc/43/40/61/949434061.db2.gz ZNNBIHIBRWTWBE-RRFJBIMHSA-N 1 3 315.433 0.751 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CCOCCO)CC1 ZINC001329255926 949466356 /nfs/dbraw/zinc/46/63/56/949466356.db2.gz QWHCJHJDCWSSSV-UHFFFAOYSA-N 1 3 324.425 0.320 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCN3C=O)CC2)CC1 ZINC001330236256 950218700 /nfs/dbraw/zinc/21/87/00/950218700.db2.gz GCEXKJDCIKTEBT-MRXNPFEDSA-N 1 3 322.453 0.282 20 0 DCADHO COCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001330340387 950289668 /nfs/dbraw/zinc/28/96/68/950289668.db2.gz PXFYAONOFZUSFW-YHUYYLMFSA-N 1 3 309.454 0.659 20 0 DCADHO COCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001330340387 950289687 /nfs/dbraw/zinc/28/96/87/950289687.db2.gz PXFYAONOFZUSFW-YHUYYLMFSA-N 1 3 309.454 0.659 20 0 DCADHO COCC[NH2+][C@H](C)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001330404156 950359359 /nfs/dbraw/zinc/35/93/59/950359359.db2.gz MXKRUOLHXIWMQD-ZIAGYGMSSA-N 1 3 313.442 0.323 20 0 DCADHO CC(C)N1CCN(CCC[NH2+]C2(C(N)=O)CCOCC2)CC1 ZINC001330576674 950521291 /nfs/dbraw/zinc/52/12/91/950521291.db2.gz OBHMJYUMEBAVBZ-UHFFFAOYSA-N 1 3 312.458 0.027 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331028562 950834421 /nfs/dbraw/zinc/83/44/21/950834421.db2.gz BZOMNOWAWRJTBY-HNNXBMFYSA-N 1 3 322.453 0.236 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001331028562 950834445 /nfs/dbraw/zinc/83/44/45/950834445.db2.gz BZOMNOWAWRJTBY-HNNXBMFYSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001490594908 950916206 /nfs/dbraw/zinc/91/62/06/950916206.db2.gz JLVMGNCAOBNJBR-HIFRSBDPSA-N 1 3 309.454 0.822 20 0 DCADHO CCN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001490666114 950970877 /nfs/dbraw/zinc/97/08/77/950970877.db2.gz YXYUESMTSWWULZ-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001490666114 950970881 /nfs/dbraw/zinc/97/08/81/950970881.db2.gz YXYUESMTSWWULZ-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCO[C@H]1CC1(F)F ZINC001331562858 951173924 /nfs/dbraw/zinc/17/39/24/951173924.db2.gz BHAWTBVQLWCXNL-PWSUYJOCSA-N 1 3 316.352 0.813 20 0 DCADHO CN(Cc1nc[nH]n1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001365559230 951262410 /nfs/dbraw/zinc/26/24/10/951262410.db2.gz MZCYZVMFGSJROF-LBPRGKRZSA-N 1 3 321.429 0.115 20 0 DCADHO CN(Cc1nc[nH]n1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001365559230 951262422 /nfs/dbraw/zinc/26/24/22/951262422.db2.gz MZCYZVMFGSJROF-LBPRGKRZSA-N 1 3 321.429 0.115 20 0 DCADHO C[NH+](C)CC1(C(=O)NC2(CNCCF)CCOCC2)CC1 ZINC001273994653 951286404 /nfs/dbraw/zinc/28/64/04/951286404.db2.gz FZRFIVOBOSLQSD-UHFFFAOYSA-N 1 3 301.406 0.553 20 0 DCADHO CCCCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028494 951441180 /nfs/dbraw/zinc/44/11/80/951441180.db2.gz ONIKEVHDSLMOHV-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CCCC[NH+](C)C ZINC001332047641 951451268 /nfs/dbraw/zinc/45/12/68/951451268.db2.gz IUVWWVDARRFRFF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001332249641 951543674 /nfs/dbraw/zinc/54/36/74/951543674.db2.gz IOESJHRXBYBQKL-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001365838130 951602392 /nfs/dbraw/zinc/60/23/92/951602392.db2.gz AGXFDLONIYQBSO-SYQHCUMBSA-N 1 3 312.458 0.192 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001365855892 951619713 /nfs/dbraw/zinc/61/97/13/951619713.db2.gz PWHJNIOLMQZAEV-KBUPBQIOSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](F)CC[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001332521847 951678853 /nfs/dbraw/zinc/67/88/53/951678853.db2.gz JMDLQCAJMIBVKQ-OLZOCXBDSA-N 1 3 303.422 0.628 20 0 DCADHO Cn1cncc1N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274758841 951828220 /nfs/dbraw/zinc/82/82/20/951828220.db2.gz OEELFXAXCQYJSW-UHFFFAOYSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]2CC1 ZINC001275211290 952008129 /nfs/dbraw/zinc/00/81/29/952008129.db2.gz OJYGGADKBFUNND-GASCZTMLSA-N 1 3 305.426 0.642 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]2CC1 ZINC001275211290 952008137 /nfs/dbraw/zinc/00/81/37/952008137.db2.gz OJYGGADKBFUNND-GASCZTMLSA-N 1 3 305.426 0.642 20 0 DCADHO c1cn(CC[N@@H+]2CCC3(C2)CCN(Cc2cn[nH]n2)CC3)cn1 ZINC001275229969 952022465 /nfs/dbraw/zinc/02/24/65/952022465.db2.gz XXWGTYJWHMTBHK-UHFFFAOYSA-N 1 3 315.425 0.989 20 0 DCADHO c1cn(CC[N@H+]2CCC3(C2)CCN(Cc2cn[nH]n2)CC3)cn1 ZINC001275229969 952022474 /nfs/dbraw/zinc/02/24/74/952022474.db2.gz XXWGTYJWHMTBHK-UHFFFAOYSA-N 1 3 315.425 0.989 20 0 DCADHO O=C(NCCCCCN1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001336191895 952657476 /nfs/dbraw/zinc/65/74/76/952657476.db2.gz FMYUFBFYTWIMJG-IYBDPMFKSA-N 1 3 323.485 0.598 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC4(COC4)CC3=O)C[C@H]2C1 ZINC001336267508 952668680 /nfs/dbraw/zinc/66/86/80/952668680.db2.gz IRPLXQQVUCLFFR-RBSFLKMASA-N 1 3 307.438 0.855 20 0 DCADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)NCc1ccccn1 ZINC001336819123 952771326 /nfs/dbraw/zinc/77/13/26/952771326.db2.gz DKVDXALGLSILPX-OAHLLOKOSA-N 1 3 306.410 0.134 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC(N[C@@H]4CCOC4)C3)C[N@@H+]2C1 ZINC001412704791 953007802 /nfs/dbraw/zinc/00/78/02/953007802.db2.gz YNSHWWIWIKCOMD-CTASWTNQSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC(N[C@@H]4CCOC4)C3)C[N@H+]2C1 ZINC001412704791 953007805 /nfs/dbraw/zinc/00/78/05/953007805.db2.gz YNSHWWIWIKCOMD-CTASWTNQSA-N 1 3 307.438 0.696 20 0 DCADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)OCc1ccccc1 ZINC001338448601 953013550 /nfs/dbraw/zinc/01/35/50/953013550.db2.gz PYPBHRQBIBKECR-INIZCTEOSA-N 1 3 321.421 0.959 20 0 DCADHO C[NH2+]CCN(C(=O)NCCCCN1CCN(C)CC1)C(C)C ZINC001338535709 953028045 /nfs/dbraw/zinc/02/80/45/953028045.db2.gz VBAJWLKLTSDIDD-UHFFFAOYSA-N 1 3 313.490 0.653 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001490842448 953099763 /nfs/dbraw/zinc/09/97/63/953099763.db2.gz PDSOPPGOFYWDLO-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)C[C@H](C)O1 ZINC001340819939 953197066 /nfs/dbraw/zinc/19/70/66/953197066.db2.gz AYHBHYKAEHRWFH-IVSAIRAKSA-N 1 3 309.454 0.992 20 0 DCADHO [NH3+]CCCSCCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001342252656 953278997 /nfs/dbraw/zinc/27/89/97/953278997.db2.gz ZILWMQNWSKDXDM-CQSZACIVSA-N 1 3 315.483 0.828 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CNCCN2C)C1 ZINC001343374618 953341725 /nfs/dbraw/zinc/34/17/25/953341725.db2.gz HYFLXTBVWOKGTJ-OAGGEKHMSA-N 1 3 310.486 0.764 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001365881319 953358341 /nfs/dbraw/zinc/35/83/41/953358341.db2.gz DQBIDQUVKAKPFM-ILXRZTDVSA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430096592 1013115620 /nfs/dbraw/zinc/11/56/20/1013115620.db2.gz JLFZUPKFUFTBKB-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430096592 1013115626 /nfs/dbraw/zinc/11/56/26/1013115626.db2.gz JLFZUPKFUFTBKB-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO COC(=O)[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001345110057 953592650 /nfs/dbraw/zinc/59/26/50/953592650.db2.gz YAFWGVNSXHIUNV-GBJTYRQASA-N 1 3 323.437 0.628 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001366081364 953658925 /nfs/dbraw/zinc/65/89/25/953658925.db2.gz NFAYOSLMVOHHGM-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366089196 953667654 /nfs/dbraw/zinc/66/76/54/953667654.db2.gz GREIVRNABKRJPY-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001366095943 953677747 /nfs/dbraw/zinc/67/77/47/953677747.db2.gz ZPBBAVFZAVBSEA-DZGCQCFKSA-N 1 3 324.469 0.705 20 0 DCADHO CC1CCN(C(=O)CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001366098989 953681806 /nfs/dbraw/zinc/68/18/06/953681806.db2.gz QWDROPOIOSJERZ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N[C@H](C)C2CC2)C1 ZINC001366099081 953683161 /nfs/dbraw/zinc/68/31/61/953683161.db2.gz QZSKRUDGOHJGPK-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N[C@H](C)C2CC2)C1 ZINC001366099081 953683167 /nfs/dbraw/zinc/68/31/67/953683167.db2.gz QZSKRUDGOHJGPK-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366186905 953795995 /nfs/dbraw/zinc/79/59/95/953795995.db2.gz JMZFXQJGCJQPOO-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366186905 953796007 /nfs/dbraw/zinc/79/60/07/953796007.db2.gz JMZFXQJGCJQPOO-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC001346181976 953816709 /nfs/dbraw/zinc/81/67/09/953816709.db2.gz TVGWKTOKSNOUIP-QZTJIDSGSA-N 1 3 321.465 0.698 20 0 DCADHO Cc1cccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC001346190301 953817479 /nfs/dbraw/zinc/81/74/79/953817479.db2.gz HSHSUNIFRGNSPF-MRXNPFEDSA-N 1 3 305.422 0.771 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001366214128 953836544 /nfs/dbraw/zinc/83/65/44/953836544.db2.gz KLVXFJRUPILLNQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H]([NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001366242297 953884615 /nfs/dbraw/zinc/88/46/15/953884615.db2.gz IRGWTGSSHRIFKF-RUXDESIVSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001366276889 953940434 /nfs/dbraw/zinc/94/04/34/953940434.db2.gz VXFZMCWSVXNVDX-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001366276889 953940442 /nfs/dbraw/zinc/94/04/42/953940442.db2.gz VXFZMCWSVXNVDX-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001347087468 954021938 /nfs/dbraw/zinc/02/19/38/954021938.db2.gz XFPDVQMXSJKRKU-ZQIUZPCESA-N 1 3 322.453 0.174 20 0 DCADHO CC[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001366351793 954079968 /nfs/dbraw/zinc/07/99/68/954079968.db2.gz GRKBSULXCHEPAW-GXTWGEPZSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001366382295 954128125 /nfs/dbraw/zinc/12/81/25/954128125.db2.gz ZTGALQGZFWWDJV-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](NC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1nncn1C ZINC001366406207 954162366 /nfs/dbraw/zinc/16/23/66/954162366.db2.gz VMMVWYPLZPWFRV-KBPBESRZSA-N 1 3 322.457 0.656 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001366412580 954167885 /nfs/dbraw/zinc/16/78/85/954167885.db2.gz RUEAYNPBAYWVLM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NCc1nccn1C ZINC001366488269 954268891 /nfs/dbraw/zinc/26/88/91/954268891.db2.gz NJMQTHUMVGIWCX-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C)C1=O ZINC001366510146 954301597 /nfs/dbraw/zinc/30/15/97/954301597.db2.gz HHFAHDPNQODXSF-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)C[C@H]1CCNC(=O)CC1)C1CCC1 ZINC001366537692 954375877 /nfs/dbraw/zinc/37/58/77/954375877.db2.gz RKSUPFZWNWGKDL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)C[C@H]1CCNC(=O)CC1)C1CCC1 ZINC001366537692 954375890 /nfs/dbraw/zinc/37/58/90/954375890.db2.gz RKSUPFZWNWGKDL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CN1C(=O)CN1CCCC1 ZINC001284034164 954794597 /nfs/dbraw/zinc/79/45/97/954794597.db2.gz PQNNYBQOPRJJOR-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001366780181 954838796 /nfs/dbraw/zinc/83/87/96/954838796.db2.gz IMIMZRVSNGZQQY-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001366849380 954930410 /nfs/dbraw/zinc/93/04/10/954930410.db2.gz GPFZCBOVRWAMHH-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001366849380 954930416 /nfs/dbraw/zinc/93/04/16/954930416.db2.gz GPFZCBOVRWAMHH-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)CNC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001367219643 955472216 /nfs/dbraw/zinc/47/22/16/955472216.db2.gz FTTIOHSVRAMZDE-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NC ZINC001367220635 955476476 /nfs/dbraw/zinc/47/64/76/955476476.db2.gz MTUKLBQHMYTDSA-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NC ZINC001367220635 955476478 /nfs/dbraw/zinc/47/64/78/955476478.db2.gz MTUKLBQHMYTDSA-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001367225527 955481640 /nfs/dbraw/zinc/48/16/40/955481640.db2.gz GFLIHMKMTQOYQA-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001367227217 955485710 /nfs/dbraw/zinc/48/57/10/955485710.db2.gz YMKVZBJHELDMEI-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CC(N)=O ZINC001367273478 955569833 /nfs/dbraw/zinc/56/98/33/955569833.db2.gz RXZYVPIFPAIUJV-IAQYHMDHSA-N 1 3 316.421 0.026 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001367298535 955607392 /nfs/dbraw/zinc/60/73/92/955607392.db2.gz ZLYBHCYQUJEPDA-NWDGAFQWSA-N 1 3 310.398 0.477 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001367298535 955607403 /nfs/dbraw/zinc/60/74/03/955607403.db2.gz ZLYBHCYQUJEPDA-NWDGAFQWSA-N 1 3 310.398 0.477 20 0 DCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC001353237799 955988257 /nfs/dbraw/zinc/98/82/57/955988257.db2.gz GCCACIZTIVXSIR-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO Cc1nc([C@@H](C)N[C@H](C)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001480530712 956128374 /nfs/dbraw/zinc/12/83/74/956128374.db2.gz MXMVCMVLPSCMJS-GHMZBOCLSA-N 1 3 308.430 0.610 20 0 DCADHO Cc1nc([C@H](C)N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001480530714 956128763 /nfs/dbraw/zinc/12/87/63/956128763.db2.gz MXMVCMVLPSCMJS-QWRGUYRKSA-N 1 3 308.430 0.610 20 0 DCADHO CCCC[C@H](N[C@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001480531207 956131580 /nfs/dbraw/zinc/13/15/80/956131580.db2.gz WBSARTOPFAYLNH-OCCSQVGLSA-N 1 3 312.458 0.467 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001292857228 957177390 /nfs/dbraw/zinc/17/73/90/957177390.db2.gz OXDFFYHOSNUGNR-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001292857228 957177397 /nfs/dbraw/zinc/17/73/97/957177397.db2.gz OXDFFYHOSNUGNR-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001294089132 957479596 /nfs/dbraw/zinc/47/95/96/957479596.db2.gz KTRYAYCYLNPEMZ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001294089132 957479599 /nfs/dbraw/zinc/47/95/99/957479599.db2.gz KTRYAYCYLNPEMZ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001367390194 957758985 /nfs/dbraw/zinc/75/89/85/957758985.db2.gz KDHNNDDICSAWFX-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367426792 957801915 /nfs/dbraw/zinc/80/19/15/957801915.db2.gz VBGSDEYRNPLJIB-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367426792 957801920 /nfs/dbraw/zinc/80/19/20/957801920.db2.gz VBGSDEYRNPLJIB-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cncc(C)c1)N(C)C ZINC001367594696 958142880 /nfs/dbraw/zinc/14/28/80/958142880.db2.gz QYSNQLHMCGLMPK-HUUCEWRRSA-N 1 3 308.426 0.297 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001367659836 958292888 /nfs/dbraw/zinc/29/28/88/958292888.db2.gz QGZIQUGXVLBNAH-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001367731833 958463182 /nfs/dbraw/zinc/46/31/82/958463182.db2.gz QBBISDBCXWRCIF-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001367731833 958463187 /nfs/dbraw/zinc/46/31/87/958463187.db2.gz QBBISDBCXWRCIF-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367749313 958496656 /nfs/dbraw/zinc/49/66/56/958496656.db2.gz QLBFNCLUWPAKCQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)NC/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001298312817 958540339 /nfs/dbraw/zinc/54/03/39/958540339.db2.gz RVODFAFUHPWALW-GJBLVYBDSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001298312817 958540353 /nfs/dbraw/zinc/54/03/53/958540353.db2.gz RVODFAFUHPWALW-GJBLVYBDSA-N 1 3 310.442 0.211 20 0 DCADHO CN1CC[C@@H](NC[C@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)C1=O ZINC001367910652 958838374 /nfs/dbraw/zinc/83/83/74/958838374.db2.gz JIGCCDGCFBSXBF-CABCVRRESA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001376816833 958911558 /nfs/dbraw/zinc/91/15/58/958911558.db2.gz ATTLREBYSITBHN-LSDHHAIUSA-N 1 3 322.457 0.635 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376856010 958994240 /nfs/dbraw/zinc/99/42/40/958994240.db2.gz PDEDXOTYBLBODV-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@H](O)CC(F)(F)F ZINC001376878558 959049171 /nfs/dbraw/zinc/04/91/71/959049171.db2.gz KYNYQFOSBFTAGZ-WDEREUQCSA-N 1 3 313.364 0.734 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)CC(C)(C)C ZINC001376912303 959120573 /nfs/dbraw/zinc/12/05/73/959120573.db2.gz PCOODYKSQMSGCS-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001376936354 959169694 /nfs/dbraw/zinc/16/96/94/959169694.db2.gz OQRMOEKAHXFFHS-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001368126312 959292230 /nfs/dbraw/zinc/29/22/30/959292230.db2.gz XVWFGKZVNYFBLI-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001368139265 959312665 /nfs/dbraw/zinc/31/26/65/959312665.db2.gz MEVGKNUWNVURBU-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001368139265 959312686 /nfs/dbraw/zinc/31/26/86/959312686.db2.gz MEVGKNUWNVURBU-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001368139265 959312703 /nfs/dbraw/zinc/31/27/03/959312703.db2.gz MEVGKNUWNVURBU-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001480639010 959552032 /nfs/dbraw/zinc/55/20/32/959552032.db2.gz YAAPNKIITMICRC-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CCn1nncc1C[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001492034063 959570876 /nfs/dbraw/zinc/57/08/76/959570876.db2.gz BFGRKCDACJDCSK-CYBMUJFWSA-N 1 3 322.457 0.767 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@@H]2C1 ZINC001368359114 959729457 /nfs/dbraw/zinc/72/94/57/959729457.db2.gz QICSEVUHWIXKOS-HRCADAONSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2C1 ZINC001368359114 959729466 /nfs/dbraw/zinc/72/94/66/959729466.db2.gz QICSEVUHWIXKOS-HRCADAONSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001368426769 959846882 /nfs/dbraw/zinc/84/68/82/959846882.db2.gz XMVMZQJAJYVHSK-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001368450609 959881167 /nfs/dbraw/zinc/88/11/67/959881167.db2.gz PSTKHKLLJAQXHM-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001368450609 959881177 /nfs/dbraw/zinc/88/11/77/959881177.db2.gz PSTKHKLLJAQXHM-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001368474106 959917536 /nfs/dbraw/zinc/91/75/36/959917536.db2.gz HFZTYOPDAZOEHN-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CS[C@@H]1CN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)C[C@@H]1[NH+](C)C ZINC001362773803 959968988 /nfs/dbraw/zinc/96/89/88/959968988.db2.gz HOFSFJNJSNPXIY-XJFOESAGSA-N 1 3 315.483 0.336 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001368575533 960051326 /nfs/dbraw/zinc/05/13/26/960051326.db2.gz UXXWMVUDFBZDRF-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]C[C@H](C)OC)CCOCC1)N(C)C ZINC001368634074 960108311 /nfs/dbraw/zinc/10/83/11/960108311.db2.gz ANLMAFZIXVXNRD-UONOGXRCSA-N 1 3 315.458 0.617 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cncn1C ZINC001368735702 960210461 /nfs/dbraw/zinc/21/04/61/960210461.db2.gz CZYJIIJIIFWIRL-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@H+](CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H](C)C(N)=O ZINC001377583696 960316276 /nfs/dbraw/zinc/31/62/76/960316276.db2.gz MBYOIPIURHBRTA-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO CC[N@@H+](CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H](C)C(N)=O ZINC001377583696 960316285 /nfs/dbraw/zinc/31/62/85/960316285.db2.gz MBYOIPIURHBRTA-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCc1ccnn1C ZINC001368835640 960334722 /nfs/dbraw/zinc/33/47/22/960334722.db2.gz FYDUPTZZIISBHL-ZIAGYGMSSA-N 1 3 321.469 0.930 20 0 DCADHO O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001363124179 960435120 /nfs/dbraw/zinc/43/51/20/960435120.db2.gz SBRLYOOCCKUIEZ-CWRNSKLLSA-N 1 3 316.405 0.185 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001377701151 960464219 /nfs/dbraw/zinc/46/42/19/960464219.db2.gz GTNAWWWFAGQLRS-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001363154377 960496383 /nfs/dbraw/zinc/49/63/83/960496383.db2.gz GDTATOOXVLFUFF-XHSDSOJGSA-N 1 3 305.422 0.371 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001363154377 960496391 /nfs/dbraw/zinc/49/63/91/960496391.db2.gz GDTATOOXVLFUFF-XHSDSOJGSA-N 1 3 305.422 0.371 20 0 DCADHO Cn1cnnc1C[C@]1(O)CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC001548945256 1013196141 /nfs/dbraw/zinc/19/61/41/1013196141.db2.gz FWXOYFGXPQIVGO-GDBMZVCRSA-N 1 3 307.442 0.669 20 0 DCADHO Cn1cnnc1C[C@]1(O)CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC001548945256 1013196146 /nfs/dbraw/zinc/19/61/46/1013196146.db2.gz FWXOYFGXPQIVGO-GDBMZVCRSA-N 1 3 307.442 0.669 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378366882 960656778 /nfs/dbraw/zinc/65/67/78/960656778.db2.gz BJITZICWLVRBKT-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378366882 960656786 /nfs/dbraw/zinc/65/67/86/960656786.db2.gz BJITZICWLVRBKT-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378377256 960671043 /nfs/dbraw/zinc/67/10/43/960671043.db2.gz YQSROAUPDNXODK-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CCCC[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001378448509 960775155 /nfs/dbraw/zinc/77/51/55/960775155.db2.gz ZNVTYOHRXYKDSA-JSGCOSHPSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N(C)C)CC1 ZINC001378456949 960786809 /nfs/dbraw/zinc/78/68/09/960786809.db2.gz XXJSRRCQGSTLEE-HDJSIYSDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001377985413 961123403 /nfs/dbraw/zinc/12/34/03/961123403.db2.gz OVEUEDDQECJYIV-BFHYXJOUSA-N 1 3 314.474 0.534 20 0 DCADHO CCn1ccc(CNC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001378618820 961139792 /nfs/dbraw/zinc/13/97/92/961139792.db2.gz XPISCIMQZNXRPO-CQSZACIVSA-N 1 3 319.453 0.841 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@H]1c1ccc(F)cc1 ZINC001549031021 1013235734 /nfs/dbraw/zinc/23/57/34/1013235734.db2.gz OZGDYYOSLLWMFR-QLFBSQMISA-N 1 3 307.369 0.457 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001549047059 1013238806 /nfs/dbraw/zinc/23/88/06/1013238806.db2.gz GAKSUPYVQHWDCS-LOWVWBTDSA-N 1 3 305.369 0.714 20 0 DCADHO CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001447075422 1013239090 /nfs/dbraw/zinc/23/90/90/1013239090.db2.gz IRSPYMGVACFACH-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001378704826 961315845 /nfs/dbraw/zinc/31/58/45/961315845.db2.gz ORAKHAJQYJKWAI-QCEMKRCNSA-N 1 3 309.454 0.800 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001378704826 961315862 /nfs/dbraw/zinc/31/58/62/961315862.db2.gz ORAKHAJQYJKWAI-QCEMKRCNSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)CC1CC1)N(C)C(=O)CN1CCCC1 ZINC001378851361 961602171 /nfs/dbraw/zinc/60/21/71/961602171.db2.gz JGOXNSAQZMTCOV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nncn1C ZINC001378899364 961677372 /nfs/dbraw/zinc/67/73/72/961677372.db2.gz BUHXYSVXLNWWTD-OLZOCXBDSA-N 1 3 308.430 0.093 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001379025957 961910351 /nfs/dbraw/zinc/91/03/51/961910351.db2.gz ALHFLTNISUPXPQ-CZUORRHYSA-N 1 3 317.449 0.922 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001379242255 962446869 /nfs/dbraw/zinc/44/68/69/962446869.db2.gz PGDBJMRPDOHPCL-QWHCGFSZSA-N 1 3 321.412 0.685 20 0 DCADHO COC[C@@H](O)C[N@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001380000365 962478225 /nfs/dbraw/zinc/47/82/25/962478225.db2.gz SCRARZRWWMMKMJ-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)CCN(C(=O)[C@@H]1CCCN1C)C(C)C ZINC001380000365 962478238 /nfs/dbraw/zinc/47/82/38/962478238.db2.gz SCRARZRWWMMKMJ-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379325047 962627897 /nfs/dbraw/zinc/62/78/97/962627897.db2.gz YIMIZBVIHQPHFJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379325047 962627910 /nfs/dbraw/zinc/62/79/10/962627910.db2.gz YIMIZBVIHQPHFJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379355876 962702705 /nfs/dbraw/zinc/70/27/05/962702705.db2.gz FUOBSDNPLLGHTO-TZMCWYRMSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001379384561 962789329 /nfs/dbraw/zinc/78/93/29/962789329.db2.gz WPFFBDSIKTYJJR-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC001380161922 962799325 /nfs/dbraw/zinc/79/93/25/962799325.db2.gz XYCZNYNSZHTOKQ-OLZOCXBDSA-N 1 3 320.441 0.344 20 0 DCADHO C[C@H](CNCC(=O)N1CCC(C)CC1)NC(=O)CC[NH+](C)C ZINC001379414850 962875207 /nfs/dbraw/zinc/87/52/07/962875207.db2.gz CIZDQQROJBTVDN-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]1CNCC(=O)NC1CC1)[NH+](C)C ZINC001380283230 962990122 /nfs/dbraw/zinc/99/01/22/962990122.db2.gz GKEFDKAVYMZWQS-GOEBONIOSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001380294098 963006298 /nfs/dbraw/zinc/00/62/98/963006298.db2.gz YNENONGWKCJZOC-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CCCCC2)C1 ZINC001379480228 963021204 /nfs/dbraw/zinc/02/12/04/963021204.db2.gz RVJGBSHBGMWEJP-GDBMZVCRSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1)C(N)=O ZINC001380326509 963041726 /nfs/dbraw/zinc/04/17/26/963041726.db2.gz FFSDUVXKJBDMLM-GXTWGEPZSA-N 1 3 322.453 0.221 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccnn2C)[C@H]1C ZINC001379563431 963184119 /nfs/dbraw/zinc/18/41/19/963184119.db2.gz CXKXPCAFPXMGDE-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccnn2C)[C@H]1C ZINC001379563431 963184123 /nfs/dbraw/zinc/18/41/23/963184123.db2.gz CXKXPCAFPXMGDE-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001379602763 963252308 /nfs/dbraw/zinc/25/23/08/963252308.db2.gz USEOYRWVPGDLAE-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001379609009 963259639 /nfs/dbraw/zinc/25/96/39/963259639.db2.gz XBYKVVCYYOIJLA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCn2cncn2)CC1)N(C)C ZINC001380925922 963685826 /nfs/dbraw/zinc/68/58/26/963685826.db2.gz APPPSHWEVQXGJE-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1)N(C)C ZINC001380925922 963685834 /nfs/dbraw/zinc/68/58/34/963685834.db2.gz APPPSHWEVQXGJE-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001380966552 963728800 /nfs/dbraw/zinc/72/88/00/963728800.db2.gz RPXDKGYXTWVKQE-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001380966552 963728808 /nfs/dbraw/zinc/72/88/08/963728808.db2.gz RPXDKGYXTWVKQE-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001381099393 963812744 /nfs/dbraw/zinc/81/27/44/963812744.db2.gz DTEOZOJCXYRBKK-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccnn1C)N(C)C ZINC001375139371 964040564 /nfs/dbraw/zinc/04/05/64/964040564.db2.gz YIMLVWYVTMERGO-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001375139371 964040576 /nfs/dbraw/zinc/04/05/76/964040576.db2.gz YIMLVWYVTMERGO-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001368897141 964110639 /nfs/dbraw/zinc/11/06/39/964110639.db2.gz FOVVYYGMNOYZRD-UHFFFAOYSA-N 1 3 321.425 0.448 20 0 DCADHO C[C@@H](NCCF)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001369157183 964468151 /nfs/dbraw/zinc/46/81/51/964468151.db2.gz SVTJMXXGXQGHLR-TZMCWYRMSA-N 1 3 301.406 0.503 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001369161486 964470780 /nfs/dbraw/zinc/47/07/80/964470780.db2.gz CGWSXQHRYDCFNZ-TUVASFSCSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001375534754 964523142 /nfs/dbraw/zinc/52/31/42/964523142.db2.gz KBFCFCMSPKOBCB-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](CNCc1cncn1C)C1CC1 ZINC001369226356 964551937 /nfs/dbraw/zinc/55/19/37/964551937.db2.gz UEVSMAWDPZUBQD-ZBFHGGJFSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](CNCc1cncn1C)C1CC1 ZINC001369226356 964551941 /nfs/dbraw/zinc/55/19/41/964551941.db2.gz UEVSMAWDPZUBQD-ZBFHGGJFSA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)CC)N(C)C ZINC001369276758 964642293 /nfs/dbraw/zinc/64/22/93/964642293.db2.gz MYPKWSWYGKQYGW-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)NC1CC1 ZINC001369281534 964647823 /nfs/dbraw/zinc/64/78/23/964647823.db2.gz DNLAXGJKWMTHAL-CHWSQXEVSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001369316542 964721313 /nfs/dbraw/zinc/72/13/13/964721313.db2.gz WTWMXEDNEVKFNX-CHWSQXEVSA-N 1 3 312.458 0.430 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+]CC(=O)N(C)C)CCCC1 ZINC001373863837 964726948 /nfs/dbraw/zinc/72/69/48/964726948.db2.gz XXAXBJUGTAPHCA-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001373878418 964744520 /nfs/dbraw/zinc/74/45/20/964744520.db2.gz XHHQXPHGBCBSQQ-YOEHRIQHSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001373965507 964827257 /nfs/dbraw/zinc/82/72/57/964827257.db2.gz GFBJZSDJIVSPOP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001369372057 964845540 /nfs/dbraw/zinc/84/55/40/964845540.db2.gz HMYPYAQGDGSUBW-CHWSQXEVSA-N 1 3 321.412 0.829 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC001369394200 964887731 /nfs/dbraw/zinc/88/77/31/964887731.db2.gz DZRCHCRUMHYMDF-DZKIICNBSA-N 1 3 315.433 0.772 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001369394200 964887737 /nfs/dbraw/zinc/88/77/37/964887737.db2.gz DZRCHCRUMHYMDF-DZKIICNBSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369394997 964890517 /nfs/dbraw/zinc/89/05/17/964890517.db2.gz CCFXZYSXVBKRDU-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]C[C@@H](C)O)CCOCC1)N(C)C ZINC001375986256 965039064 /nfs/dbraw/zinc/03/90/64/965039064.db2.gz YRVBYHACYCTECY-ZIAGYGMSSA-N 1 3 315.458 0.208 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001369480232 965050828 /nfs/dbraw/zinc/05/08/28/965050828.db2.gz VZAMUBFPOLJBGO-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCn1cncn1 ZINC001447786344 1013544263 /nfs/dbraw/zinc/54/42/63/1013544263.db2.gz UEWLIWMUWHOIQO-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCn1cncn1 ZINC001447786344 1013544272 /nfs/dbraw/zinc/54/42/72/1013544272.db2.gz UEWLIWMUWHOIQO-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)[NH+](C)C ZINC001369553737 965167038 /nfs/dbraw/zinc/16/70/38/965167038.db2.gz LYIDSNZVAUDMCC-DGCLKSJQSA-N 1 3 300.447 0.178 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCC2CC2)C1)N(C)C ZINC001376082583 965173304 /nfs/dbraw/zinc/17/33/04/965173304.db2.gz VRAXPLKKKGDJMR-NVXWUHKLSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCC2CC2)C1)N(C)C ZINC001376082583 965173311 /nfs/dbraw/zinc/17/33/11/965173311.db2.gz VRAXPLKKKGDJMR-NVXWUHKLSA-N 1 3 311.470 0.926 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001376107443 965201195 /nfs/dbraw/zinc/20/11/95/965201195.db2.gz QNGCSWACNBUAOF-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001376107443 965201200 /nfs/dbraw/zinc/20/12/00/965201200.db2.gz QNGCSWACNBUAOF-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001374353439 965307574 /nfs/dbraw/zinc/30/75/74/965307574.db2.gz DORCFDUSRNKFTI-CQSZACIVSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C(C)C ZINC001374365084 965313052 /nfs/dbraw/zinc/31/30/52/965313052.db2.gz FXXFCAJMMOUZRC-UONOGXRCSA-N 1 3 312.458 0.336 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001376288842 965484834 /nfs/dbraw/zinc/48/48/34/965484834.db2.gz BRWSMTGNCIHUPJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001376288842 965484843 /nfs/dbraw/zinc/48/48/43/965484843.db2.gz BRWSMTGNCIHUPJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001374526179 965485443 /nfs/dbraw/zinc/48/54/43/965485443.db2.gz SIJJWDYBVMCWHD-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001374526179 965485445 /nfs/dbraw/zinc/48/54/45/965485445.db2.gz SIJJWDYBVMCWHD-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001376386739 965600019 /nfs/dbraw/zinc/60/00/19/965600019.db2.gz AWRPKILBOKPQLW-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001376404900 965617573 /nfs/dbraw/zinc/61/75/73/965617573.db2.gz HZRCJWWWJUCXDE-YRGRVCCFSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@H](F)CNC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001374614152 965641146 /nfs/dbraw/zinc/64/11/46/965641146.db2.gz GNDHWJVLJUIMPD-KBPBESRZSA-N 1 3 315.433 0.677 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376465595 965695084 /nfs/dbraw/zinc/69/50/84/965695084.db2.gz OGGCXRUDSFLCTM-BETUJISGSA-N 1 3 320.441 0.519 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001370259352 965929772 /nfs/dbraw/zinc/92/97/72/965929772.db2.gz UICDNXVBHZWNFF-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001370259352 965929783 /nfs/dbraw/zinc/92/97/83/965929783.db2.gz UICDNXVBHZWNFF-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370394507 966078248 /nfs/dbraw/zinc/07/82/48/966078248.db2.gz ZCDIPMXOJLBEKV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001374906392 966122370 /nfs/dbraw/zinc/12/23/70/966122370.db2.gz OEKRNWJXZHRYRQ-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001430626733 1013632738 /nfs/dbraw/zinc/63/27/38/1013632738.db2.gz GQYFAIBDNQTNFO-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCc1cncn1C ZINC001447898112 1013632879 /nfs/dbraw/zinc/63/28/79/1013632879.db2.gz JSRYQBDIRBGBQU-QWHCGFSZSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001370548309 966234921 /nfs/dbraw/zinc/23/49/21/966234921.db2.gz PCEQDGKVZXAFES-AAVRWANBSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001370679456 966367407 /nfs/dbraw/zinc/36/74/07/966367407.db2.gz PXTHQECKVYQQRE-ZNMIVQPWSA-N 1 3 307.442 0.540 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001447919796 1013649549 /nfs/dbraw/zinc/64/95/49/1013649549.db2.gz ZCDFWMNXVJZVND-RYUDHWBXSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001370732658 966424756 /nfs/dbraw/zinc/42/47/56/966424756.db2.gz MVCIGLSYBSIVDI-BNOWGMLFSA-N 1 3 310.442 0.231 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001381542325 966519723 /nfs/dbraw/zinc/51/97/23/966519723.db2.gz ZEVAUZHBDJETAY-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447935752 1013657855 /nfs/dbraw/zinc/65/78/55/1013657855.db2.gz SSHZSVPWAYYRAZ-QWHCGFSZSA-N 1 3 319.453 0.807 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001370938623 966599613 /nfs/dbraw/zinc/59/96/13/966599613.db2.gz ZFJKGDUJGZOAGA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001370968459 966628054 /nfs/dbraw/zinc/62/80/54/966628054.db2.gz UUFZLENBJQOFHC-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N(C)CC1CC1 ZINC001382060089 966902291 /nfs/dbraw/zinc/90/22/91/966902291.db2.gz TZMSTOAAMBYXIR-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001382067072 966910070 /nfs/dbraw/zinc/91/00/70/966910070.db2.gz MAHZEXTUWMIVQA-DOMZBBRYSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCc1cnn(C)c1 ZINC001382089037 966929677 /nfs/dbraw/zinc/92/96/77/966929677.db2.gz JAGNMDOFSWEQPO-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001382094597 966932961 /nfs/dbraw/zinc/93/29/61/966932961.db2.gz RZETZOHVNWOWGF-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCCNC1=O ZINC001371378876 966945320 /nfs/dbraw/zinc/94/53/20/966945320.db2.gz DAVAIHAGGMXVLJ-GXTWGEPZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCCNC1=O ZINC001371378883 966946191 /nfs/dbraw/zinc/94/61/91/966946191.db2.gz DAVAIHAGGMXVLJ-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001382124192 966960411 /nfs/dbraw/zinc/96/04/11/966960411.db2.gz SXSVMJRCRDQVLT-CYBMUJFWSA-N 1 3 318.425 0.902 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001382166451 966998042 /nfs/dbraw/zinc/99/80/42/966998042.db2.gz FNDDTNKXYJXRFO-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382204916 967065745 /nfs/dbraw/zinc/06/57/45/967065745.db2.gz JVHMRTSUJWUPHA-CYBMUJFWSA-N 1 3 314.474 0.632 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001371545827 967106960 /nfs/dbraw/zinc/10/69/60/967106960.db2.gz QIEQEFGDUBAKNC-DZGCQCFKSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001382303758 967190722 /nfs/dbraw/zinc/19/07/22/967190722.db2.gz HVSKGKDTQZQZQQ-UONOGXRCSA-N 1 3 308.430 0.197 20 0 DCADHO CC(C)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001382311720 967200950 /nfs/dbraw/zinc/20/09/50/967200950.db2.gz IPLSTYLCBKBOSH-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCc1cnn(C)c1 ZINC001448012859 1013706022 /nfs/dbraw/zinc/70/60/22/1013706022.db2.gz DQQFLNQQFAKXKH-SQWLQELKSA-N 1 3 321.469 0.739 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCc1cnn(C)c1 ZINC001448012859 1013706027 /nfs/dbraw/zinc/70/60/27/1013706027.db2.gz DQQFLNQQFAKXKH-SQWLQELKSA-N 1 3 321.469 0.739 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001372033500 967585559 /nfs/dbraw/zinc/58/55/59/967585559.db2.gz JHWDNVNUKKXSQE-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001372033500 967585565 /nfs/dbraw/zinc/58/55/65/967585565.db2.gz JHWDNVNUKKXSQE-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373456444 969115454 /nfs/dbraw/zinc/11/54/54/969115454.db2.gz WHBVKCOFWPBGAM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001373456444 969115458 /nfs/dbraw/zinc/11/54/58/969115458.db2.gz WHBVKCOFWPBGAM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001373575682 969250758 /nfs/dbraw/zinc/25/07/58/969250758.db2.gz YXYKNLIPQRFAKJ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001373575682 969250763 /nfs/dbraw/zinc/25/07/63/969250763.db2.gz YXYKNLIPQRFAKJ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+][C@@H]2CCNC2=O)C2CC2)CCC1 ZINC001448587671 1013958303 /nfs/dbraw/zinc/95/83/03/1013958303.db2.gz CSXQWNOPRPMUOM-KGLIPLIRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001448649538 1013982162 /nfs/dbraw/zinc/98/21/62/1013982162.db2.gz IQOOSVVUUMLUHQ-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001448763928 1014029911 /nfs/dbraw/zinc/02/99/11/1014029911.db2.gz AFZOGBPLUGRLDC-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001448763928 1014029913 /nfs/dbraw/zinc/02/99/13/1014029913.db2.gz AFZOGBPLUGRLDC-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001448778385 1014035070 /nfs/dbraw/zinc/03/50/70/1014035070.db2.gz VWTHLQLNPKXKGL-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)[C@H]1C ZINC001448987973 1014120792 /nfs/dbraw/zinc/12/07/92/1014120792.db2.gz YYJJSVVCVWNEFR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)c3cccc4c3CNC4)C[C@@H]2[NH3+])c1 ZINC001549734279 1014432644 /nfs/dbraw/zinc/43/26/44/1014432644.db2.gz INQJHMGZUDKVGP-CABCVRRESA-N 1 3 311.389 0.590 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)CN(C)C1CCC1 ZINC001522941219 1014483005 /nfs/dbraw/zinc/48/30/05/1014483005.db2.gz GCTQSLNBKTVFRK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)CN(C)C1CCC1 ZINC001522941219 1014483007 /nfs/dbraw/zinc/48/30/07/1014483007.db2.gz GCTQSLNBKTVFRK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001550092556 1014561549 /nfs/dbraw/zinc/56/15/49/1014561549.db2.gz YWGTWIWCEURAFU-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001550121866 1014587397 /nfs/dbraw/zinc/58/73/97/1014587397.db2.gz FFHANCGGZQMHOZ-HUUCEWRRSA-N 1 3 318.425 0.511 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2CC([NH3+])C2)CC1 ZINC001550202469 1014625780 /nfs/dbraw/zinc/62/57/80/1014625780.db2.gz MWVYZWRTLJBHAK-UHFFFAOYSA-N 1 3 308.426 0.056 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC001550228336 1014633123 /nfs/dbraw/zinc/63/31/23/1014633123.db2.gz HUZQNEGQRGZBFM-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO Cn1nccc1[C@H]1[C@@H](CN[C@H]2C[NH2+]CCOC2)CCCN1C ZINC001550473896 1014717894 /nfs/dbraw/zinc/71/78/94/1014717894.db2.gz TVYJAMMPDBVQTN-IJEWVQPXSA-N 1 3 307.442 0.381 20 0 DCADHO CN(C)C1(C(=O)N(C)CCCNC(=O)CC[NH+](C)C)CCC1 ZINC001523754540 1014757714 /nfs/dbraw/zinc/75/77/14/1014757714.db2.gz VLFVPXFJILVAJC-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550750661 1014837699 /nfs/dbraw/zinc/83/76/99/1014837699.db2.gz SWLHXAZKWZFRKI-KGLIPLIRSA-N 1 3 321.429 0.096 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550755158 1014842029 /nfs/dbraw/zinc/84/20/29/1014842029.db2.gz NGOYNTNPVOCAJM-CABCVRRESA-N 1 3 324.469 0.929 20 0 DCADHO CCN1CCC[C@H](NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550764222 1014853361 /nfs/dbraw/zinc/85/33/61/1014853361.db2.gz ZPALBLHYSSTIBE-LSDHHAIUSA-N 1 3 324.469 0.929 20 0 DCADHO [NH3+][C@]1(CO)CCCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001550765011 1014856606 /nfs/dbraw/zinc/85/66/06/1014856606.db2.gz RYGQEGFTCQSINV-DOTOQJQBSA-N 1 3 318.421 0.196 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001450101466 1014911358 /nfs/dbraw/zinc/91/13/58/1014911358.db2.gz UGHDVPFYVXSREU-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001530899617 1014983498 /nfs/dbraw/zinc/98/34/98/1014983498.db2.gz LYRODFLSPCGIGI-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001530899617 1014983507 /nfs/dbraw/zinc/98/35/07/1014983507.db2.gz LYRODFLSPCGIGI-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001525506194 1015151672 /nfs/dbraw/zinc/15/16/72/1015151672.db2.gz GKFWECLLZWIVJH-TUVASFSCSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2)N(C)C ZINC001385012008 986021354 /nfs/dbraw/zinc/02/13/54/986021354.db2.gz RGXVZXJBEKMIPZ-KBXIAJHMSA-N 1 3 324.469 0.526 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001450510297 1015183448 /nfs/dbraw/zinc/18/34/48/1015183448.db2.gz NWPKVYKGFIXDSM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001450510297 1015183456 /nfs/dbraw/zinc/18/34/56/1015183456.db2.gz NWPKVYKGFIXDSM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001385220494 986165862 /nfs/dbraw/zinc/16/58/62/986165862.db2.gz VQLZHWAHBCCOMF-CYBMUJFWSA-N 1 3 321.425 0.320 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001385220494 986165864 /nfs/dbraw/zinc/16/58/64/986165864.db2.gz VQLZHWAHBCCOMF-CYBMUJFWSA-N 1 3 321.425 0.320 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001385270324 986200323 /nfs/dbraw/zinc/20/03/23/986200323.db2.gz HUOVXTPUBNDFLN-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001385270324 986200332 /nfs/dbraw/zinc/20/03/32/986200332.db2.gz HUOVXTPUBNDFLN-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001385704778 986534492 /nfs/dbraw/zinc/53/44/92/986534492.db2.gz FITSGWQDVDZGBQ-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001385937887 986697893 /nfs/dbraw/zinc/69/78/93/986697893.db2.gz AYEDERFWFZROPJ-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001385937887 986697898 /nfs/dbraw/zinc/69/78/98/986697898.db2.gz AYEDERFWFZROPJ-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001450630636 1015261356 /nfs/dbraw/zinc/26/13/56/1015261356.db2.gz WBTKDENWIQRDIY-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001450630636 1015261365 /nfs/dbraw/zinc/26/13/65/1015261365.db2.gz WBTKDENWIQRDIY-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001386977934 987543179 /nfs/dbraw/zinc/54/31/79/987543179.db2.gz NBYGHZLGXQDOFR-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001387754796 988121614 /nfs/dbraw/zinc/12/16/14/988121614.db2.gz DUZZZLJNVZBALQ-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001387754796 988121619 /nfs/dbraw/zinc/12/16/19/988121619.db2.gz DUZZZLJNVZBALQ-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001387911304 988273391 /nfs/dbraw/zinc/27/33/91/988273391.db2.gz VZALATYUQVPWQR-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001387911304 988273395 /nfs/dbraw/zinc/27/33/95/988273395.db2.gz VZALATYUQVPWQR-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCN(C)[C@@H]2C)C1 ZINC001552311193 1015383481 /nfs/dbraw/zinc/38/34/81/1015383481.db2.gz JOGRSIZWXXXUCO-FPCVCCKLSA-N 1 3 324.469 0.974 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001388702858 988524550 /nfs/dbraw/zinc/52/45/50/988524550.db2.gz LARNLVZXSNYTNA-GASCZTMLSA-N 1 3 321.469 0.787 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001388733804 988545820 /nfs/dbraw/zinc/54/58/20/988545820.db2.gz KBFCFCMSPKOBCB-YDHLFZDLSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001388791797 988596773 /nfs/dbraw/zinc/59/67/73/988596773.db2.gz HFSXLCXDGBHOPY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001388791797 988596775 /nfs/dbraw/zinc/59/67/75/988596775.db2.gz HFSXLCXDGBHOPY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001389373036 989170747 /nfs/dbraw/zinc/17/07/47/989170747.db2.gz FBELXFWIOTYADE-CYZMBNFOSA-N 1 3 321.425 0.222 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001389373036 989170753 /nfs/dbraw/zinc/17/07/53/989170753.db2.gz FBELXFWIOTYADE-CYZMBNFOSA-N 1 3 321.425 0.222 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001389439312 989250504 /nfs/dbraw/zinc/25/05/04/989250504.db2.gz MBUGEHOTKLNQGH-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001389439312 989250509 /nfs/dbraw/zinc/25/05/09/989250509.db2.gz MBUGEHOTKLNQGH-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CC[C@H](N2CCC3(C[C@@H]3NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001389521840 989359592 /nfs/dbraw/zinc/35/95/92/989359592.db2.gz JFZQNCPMLWCOFK-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](N[C@H](C)C(N)=O)C2CC2)CC1 ZINC001389689619 989492005 /nfs/dbraw/zinc/49/20/05/989492005.db2.gz JFMITEQVTZPUJU-IUODEOHRSA-N 1 3 324.469 0.465 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001450964371 1015489336 /nfs/dbraw/zinc/48/93/36/1015489336.db2.gz DDUJWEVWGUICOB-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001450964371 1015489338 /nfs/dbraw/zinc/48/93/38/1015489338.db2.gz DDUJWEVWGUICOB-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+][C@H]1CCCC[C@@H]1n1cc(C(=O)NCCN2CCCC2)nn1 ZINC001552690880 1015493214 /nfs/dbraw/zinc/49/32/14/1015493214.db2.gz LFYSYKDWCMABKR-JSGCOSHPSA-N 1 3 306.414 0.546 20 0 DCADHO O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CCNC[C@@H]1C(F)F ZINC001552694009 1015494559 /nfs/dbraw/zinc/49/45/59/1015494559.db2.gz SEFIJYIKKJYABT-LLVKDONJSA-N 1 3 313.352 0.556 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001390046489 989773527 /nfs/dbraw/zinc/77/35/27/989773527.db2.gz SBLPXXCEBAOHAG-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001390046489 989773523 /nfs/dbraw/zinc/77/35/23/989773523.db2.gz SBLPXXCEBAOHAG-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001390101577 989820041 /nfs/dbraw/zinc/82/00/41/989820041.db2.gz COVWAKMEKRXYGE-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001390121965 989842680 /nfs/dbraw/zinc/84/26/80/989842680.db2.gz LWEKAUWPQWVNQP-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001390121965 989842687 /nfs/dbraw/zinc/84/26/87/989842687.db2.gz LWEKAUWPQWVNQP-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001390255893 989941734 /nfs/dbraw/zinc/94/17/34/989941734.db2.gz SDCFZOSQHBGJOU-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001390536179 990182435 /nfs/dbraw/zinc/18/24/35/990182435.db2.gz HJWIJZRFTQRITN-KGLIPLIRSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001391121716 990603396 /nfs/dbraw/zinc/60/33/96/990603396.db2.gz YIGFJPYZVPZIPI-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001391121716 990603397 /nfs/dbraw/zinc/60/33/97/990603397.db2.gz YIGFJPYZVPZIPI-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001391224079 990682823 /nfs/dbraw/zinc/68/28/23/990682823.db2.gz CSKUJMGOYYFEQZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001391340896 990760638 /nfs/dbraw/zinc/76/06/38/990760638.db2.gz QCEORLHZJCGRMO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001391340896 990760641 /nfs/dbraw/zinc/76/06/41/990760641.db2.gz QCEORLHZJCGRMO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001391724704 991137405 /nfs/dbraw/zinc/13/74/05/991137405.db2.gz ASHIXMWGDKERPO-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(=O)NC ZINC001391739809 991148444 /nfs/dbraw/zinc/14/84/44/991148444.db2.gz PYAJREYMETZMHK-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCC1CCN([C@H]2CCNC2=O)CC1 ZINC001391850483 991219979 /nfs/dbraw/zinc/21/99/79/991219979.db2.gz PNEVOFSJVZAOMB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCC1CCN([C@H]2CCNC2=O)CC1 ZINC001391850483 991219992 /nfs/dbraw/zinc/21/99/92/991219992.db2.gz PNEVOFSJVZAOMB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001391966083 991338105 /nfs/dbraw/zinc/33/81/05/991338105.db2.gz SWEPHFOPJXPICH-JSGCOSHPSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391966083 991338113 /nfs/dbraw/zinc/33/81/13/991338113.db2.gz SWEPHFOPJXPICH-JSGCOSHPSA-N 1 3 305.426 0.579 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001392326917 991758860 /nfs/dbraw/zinc/75/88/60/991758860.db2.gz NXNNJBWYSJHKMQ-UONOGXRCSA-N 1 3 320.441 0.107 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001392326917 991758873 /nfs/dbraw/zinc/75/88/73/991758873.db2.gz NXNNJBWYSJHKMQ-UONOGXRCSA-N 1 3 320.441 0.107 20 0 DCADHO Cc1cncc(C[NH2+]C[C@@H](O)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001392402522 991880025 /nfs/dbraw/zinc/88/00/25/991880025.db2.gz PNTYXMSURSFCNK-XJKSGUPXSA-N 1 3 320.437 0.299 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392522654 992044577 /nfs/dbraw/zinc/04/45/77/992044577.db2.gz AKJXXYMIQJYBOY-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392522654 992044587 /nfs/dbraw/zinc/04/45/87/992044587.db2.gz AKJXXYMIQJYBOY-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001392813774 992419278 /nfs/dbraw/zinc/41/92/78/992419278.db2.gz SXCJNQPXHAZLHE-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001392813774 992419281 /nfs/dbraw/zinc/41/92/81/992419281.db2.gz SXCJNQPXHAZLHE-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO CCO[C@@H](CN(C)CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001492819375 992919037 /nfs/dbraw/zinc/91/90/37/992919037.db2.gz RPLLSFCLZDBUGK-HNNXBMFYSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](NCc1ccn(C)n1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393386407 992934728 /nfs/dbraw/zinc/93/47/28/992934728.db2.gz NJVTYFOOZSGZCA-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001393402995 992948873 /nfs/dbraw/zinc/94/88/73/992948873.db2.gz ZHGKHBJKPQUMNH-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001394083152 993465144 /nfs/dbraw/zinc/46/51/44/993465144.db2.gz MNMCAJNVMSXWPF-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001394342434 993634385 /nfs/dbraw/zinc/63/43/85/993634385.db2.gz CNOSBUVOXGOFSD-HRCADAONSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001394342434 993634388 /nfs/dbraw/zinc/63/43/88/993634388.db2.gz CNOSBUVOXGOFSD-HRCADAONSA-N 1 3 311.470 0.926 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001394443306 993709336 /nfs/dbraw/zinc/70/93/36/993709336.db2.gz UMRASUJUFWCDKV-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394450335 993718722 /nfs/dbraw/zinc/71/87/22/993718722.db2.gz HGAFHUIULNQPKA-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394450335 993718730 /nfs/dbraw/zinc/71/87/30/993718730.db2.gz HGAFHUIULNQPKA-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001394664768 993992793 /nfs/dbraw/zinc/99/27/93/993992793.db2.gz PFBMFIQQIAPXPU-SWLSCSKDSA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001399967002 993997615 /nfs/dbraw/zinc/99/76/15/993997615.db2.gz AVVWXARRANXTQM-BPLDGKMQSA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(=O)NC)C(C)(C)C1 ZINC001394722961 994056563 /nfs/dbraw/zinc/05/65/63/994056563.db2.gz WMWILWQJDUOVLE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(=O)NC)C(C)(C)C1 ZINC001394722961 994056568 /nfs/dbraw/zinc/05/65/68/994056568.db2.gz WMWILWQJDUOVLE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001400078195 994136389 /nfs/dbraw/zinc/13/63/89/994136389.db2.gz FGXPSLHDJZOFMS-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C(C)(C)C)N(C)C ZINC001394838176 994199597 /nfs/dbraw/zinc/19/95/97/994199597.db2.gz VVDSTJNPAMUGQP-OLZOCXBDSA-N 1 3 314.474 0.535 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001394861026 994225786 /nfs/dbraw/zinc/22/57/86/994225786.db2.gz NFUWIFDAWCKLFV-RUXDESIVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001395128159 994451830 /nfs/dbraw/zinc/45/18/30/994451830.db2.gz GJIIYLHWXPBUEL-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001395128159 994451832 /nfs/dbraw/zinc/45/18/32/994451832.db2.gz GJIIYLHWXPBUEL-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001400475104 994560095 /nfs/dbraw/zinc/56/00/95/994560095.db2.gz JXCLVXCYTMNYPW-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001395436183 994656467 /nfs/dbraw/zinc/65/64/67/994656467.db2.gz JQQIGBVYOXBDMZ-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001400923014 995067512 /nfs/dbraw/zinc/06/75/12/995067512.db2.gz UDRFWRWRRIKGBN-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001401088123 995163410 /nfs/dbraw/zinc/16/34/10/995163410.db2.gz AICBQXGKAPFTKM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001396485425 995425384 /nfs/dbraw/zinc/42/53/84/995425384.db2.gz XYZZLEKNTCPXHV-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396485425 995425389 /nfs/dbraw/zinc/42/53/89/995425389.db2.gz XYZZLEKNTCPXHV-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CC[C@H](C)C1 ZINC001396610479 995496596 /nfs/dbraw/zinc/49/65/96/995496596.db2.gz PIXAWFJOPHLWHB-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)N2CCCN(C(=O)CC[NH+](C)C)CC2)CCC1 ZINC001396820567 995630476 /nfs/dbraw/zinc/63/04/76/995630476.db2.gz QTKWNZDWTLOBBL-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001397129899 995814054 /nfs/dbraw/zinc/81/40/54/995814054.db2.gz FOWISLCDULYCLC-YDHLFZDLSA-N 1 3 322.457 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001397223141 995873306 /nfs/dbraw/zinc/87/33/06/995873306.db2.gz JYYIXYIBZGDWCZ-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001397645880 996115255 /nfs/dbraw/zinc/11/52/55/996115255.db2.gz GHFAUHQFPBTQHJ-MQMHXKEQSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001397675938 996126921 /nfs/dbraw/zinc/12/69/21/996126921.db2.gz MZKHFTZZNITVPQ-IHRRRGAJSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCn1cncn1 ZINC001397746738 996153609 /nfs/dbraw/zinc/15/36/09/996153609.db2.gz DXTXYBOCCQRKCU-UONOGXRCSA-N 1 3 308.430 0.199 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCN(CC)C1=O ZINC001507149930 1016033963 /nfs/dbraw/zinc/03/39/63/1016033963.db2.gz YNVHGTZYRRYBKL-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001507155708 1016038131 /nfs/dbraw/zinc/03/81/31/1016038131.db2.gz TVTFDQJCZDOHBS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001507155708 1016038140 /nfs/dbraw/zinc/03/81/40/1016038140.db2.gz TVTFDQJCZDOHBS-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@@H](N[C@@H](CNC(=O)CCC[NH+](C)C)C2CC2)C1=O ZINC001398429278 996512280 /nfs/dbraw/zinc/51/22/80/996512280.db2.gz ADVOFCLWXDMOJG-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](NCC(=O)N1CCCCC1)C1CC1 ZINC001398432183 996512672 /nfs/dbraw/zinc/51/26/72/996512672.db2.gz GAJOTGDMFIELSB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC(=O)N2CCC2)C2CC2)C1 ZINC001398457547 996526832 /nfs/dbraw/zinc/52/68/32/996526832.db2.gz RNCLMYTZKQQQRU-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001398534161 996557447 /nfs/dbraw/zinc/55/74/47/996557447.db2.gz SYMHKRHGEJTRJD-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cnc(C)nc2)C1 ZINC001398534161 996557454 /nfs/dbraw/zinc/55/74/54/996557454.db2.gz SYMHKRHGEJTRJD-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001398562465 996574397 /nfs/dbraw/zinc/57/43/97/996574397.db2.gz NDACHDPVTMRJJW-KKUMJFAQSA-N 1 3 307.442 0.743 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001398565074 996576386 /nfs/dbraw/zinc/57/63/86/996576386.db2.gz OTEBDCBDFJJGMX-TUVASFSCSA-N 1 3 324.469 0.621 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN(CC)CC)C1 ZINC001398594501 996595252 /nfs/dbraw/zinc/59/52/52/996595252.db2.gz FQMLCHLASPZIMQ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CN(CC)CC)C1 ZINC001398594501 996595257 /nfs/dbraw/zinc/59/52/57/996595257.db2.gz FQMLCHLASPZIMQ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001398621996 996609536 /nfs/dbraw/zinc/60/95/36/996609536.db2.gz NOYBCAXYVYUGRJ-RWMBFGLXSA-N 1 3 310.442 0.184 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398662606 996628205 /nfs/dbraw/zinc/62/82/05/996628205.db2.gz WVTSDSWVSFGSJN-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001398724672 996658713 /nfs/dbraw/zinc/65/87/13/996658713.db2.gz KTIOXRXEFVENLB-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001398755560 996674484 /nfs/dbraw/zinc/67/44/84/996674484.db2.gz YNRPKPXWPJHPPI-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001398773578 996682127 /nfs/dbraw/zinc/68/21/27/996682127.db2.gz RPEKDTYKEVCEKI-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCc1ccnn1C ZINC001398951711 996769075 /nfs/dbraw/zinc/76/90/75/996769075.db2.gz PFCDYCCVMHWNQE-CYBMUJFWSA-N 1 3 307.442 0.541 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001398957959 996775155 /nfs/dbraw/zinc/77/51/55/996775155.db2.gz OEZYZIUAEBXYBI-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001398957959 996775160 /nfs/dbraw/zinc/77/51/60/996775160.db2.gz OEZYZIUAEBXYBI-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)CC1CC1 ZINC001399027866 996854986 /nfs/dbraw/zinc/85/49/86/996854986.db2.gz LSVRGUHWAFWZCK-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NCc1cnn(C)c1 ZINC001399088723 996940594 /nfs/dbraw/zinc/94/05/94/996940594.db2.gz GXNJINHUOKVKRJ-CYBMUJFWSA-N 1 3 323.441 0.125 20 0 DCADHO CCCC[C@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001404309179 996952979 /nfs/dbraw/zinc/95/29/79/996952979.db2.gz CXWACTNYNZKUSR-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001399110038 996978565 /nfs/dbraw/zinc/97/85/65/996978565.db2.gz NFJNAEFOWLNEMF-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001399115427 996983208 /nfs/dbraw/zinc/98/32/08/996983208.db2.gz WOFRLPSDJZIEAD-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001399115427 996983219 /nfs/dbraw/zinc/98/32/19/996983219.db2.gz WOFRLPSDJZIEAD-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001399269992 997140889 /nfs/dbraw/zinc/14/08/89/997140889.db2.gz DDRWJOGRPCTNON-LSDHHAIUSA-N 1 3 324.469 0.622 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001399273525 997145928 /nfs/dbraw/zinc/14/59/28/997145928.db2.gz UMVGHKZWHKGZKF-ZIAGYGMSSA-N 1 3 322.457 0.674 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001404621605 997301691 /nfs/dbraw/zinc/30/16/91/997301691.db2.gz OLOIZGBJYPWWEB-CYBMUJFWSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC(N)=O ZINC001399389155 997302826 /nfs/dbraw/zinc/30/28/26/997302826.db2.gz JHUMUFWGAKUZRK-XHDPSFHLSA-N 1 3 316.421 0.169 20 0 DCADHO CN(CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1)CC(C)(C)C ZINC001507232077 1016156863 /nfs/dbraw/zinc/15/68/63/1016156863.db2.gz IULZULDAHFLMIW-ZIAGYGMSSA-N 1 3 315.458 0.068 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCCN(C)C1=O ZINC001405354038 998145597 /nfs/dbraw/zinc/14/55/97/998145597.db2.gz NUTHWEYXILSBSG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]CC(=O)N(C)C)CCCC2)C1 ZINC001405406896 998196232 /nfs/dbraw/zinc/19/62/32/998196232.db2.gz YAKJANSHJRWWFM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001405538653 998308544 /nfs/dbraw/zinc/30/85/44/998308544.db2.gz XRSLUNGMBPVKGI-DGCLKSJQSA-N 1 3 307.398 0.010 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001405776014 998552029 /nfs/dbraw/zinc/55/20/29/998552029.db2.gz RSOFFJVJMDXPNU-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001405776014 998552035 /nfs/dbraw/zinc/55/20/35/998552035.db2.gz RSOFFJVJMDXPNU-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)CN1CCCC1 ZINC001507296181 1016226481 /nfs/dbraw/zinc/22/64/81/1016226481.db2.gz RETZNTRWMKREKG-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1C ZINC001507329571 1016256720 /nfs/dbraw/zinc/25/67/20/1016256720.db2.gz WBPMIKHTLGDRMK-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+][C@H]3CCNC3=O)CCCC2)CCC1 ZINC001401179596 1000251199 /nfs/dbraw/zinc/25/11/99/1000251199.db2.gz ITWVOIJIMHZJGI-ZDUSSCGKSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001401247176 1000305671 /nfs/dbraw/zinc/30/56/71/1000305671.db2.gz YRTDVFXCZBFGQA-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N[C@@H](C)C1CC1)N(C)C(=O)CN1CCCC1 ZINC001401260755 1000316715 /nfs/dbraw/zinc/31/67/15/1000316715.db2.gz OEIYOAGFJUSKHE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001418545652 1000334931 /nfs/dbraw/zinc/33/49/31/1000334931.db2.gz BMUQZDJSRHVFSR-VNHYZAJKSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1)C1CCC1 ZINC001418654378 1000422555 /nfs/dbraw/zinc/42/25/55/1000422555.db2.gz AQIIWOJCONBEBX-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1)C1CCC1 ZINC001418654378 1000422560 /nfs/dbraw/zinc/42/25/60/1000422560.db2.gz AQIIWOJCONBEBX-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CN(CCN[C@H]1CCN(C2CCC2)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418824318 1000551085 /nfs/dbraw/zinc/55/10/85/1000551085.db2.gz FSCNUPDQACBUKJ-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCN[C@H]1CCN(C2CCC2)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418824318 1000551090 /nfs/dbraw/zinc/55/10/90/1000551090.db2.gz FSCNUPDQACBUKJ-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCc2n[nH]c(C)n2)C1 ZINC001401700025 1000639702 /nfs/dbraw/zinc/63/97/02/1000639702.db2.gz ZNDJPMYQQAQNNB-GXTWGEPZSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CNCc2n[nH]c(C)n2)C1 ZINC001401700025 1000639708 /nfs/dbraw/zinc/63/97/08/1000639708.db2.gz ZNDJPMYQQAQNNB-GXTWGEPZSA-N 1 3 322.457 0.829 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001401720390 1000657277 /nfs/dbraw/zinc/65/72/77/1000657277.db2.gz STVJNSMKIKVGDE-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC001419063468 1000736494 /nfs/dbraw/zinc/73/64/94/1000736494.db2.gz DNAUUTNWNCCBSY-HNNXBMFYSA-N 1 3 320.437 0.418 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC001419063468 1000736505 /nfs/dbraw/zinc/73/65/05/1000736505.db2.gz DNAUUTNWNCCBSY-HNNXBMFYSA-N 1 3 320.437 0.418 20 0 DCADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001419199450 1000875071 /nfs/dbraw/zinc/87/50/71/1000875071.db2.gz OATYCYFLKKNIRE-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001401945342 1000887746 /nfs/dbraw/zinc/88/77/46/1000887746.db2.gz SODXLENXFZHTFT-KBPBESRZSA-N 1 3 313.442 0.105 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C(C)C ZINC001419293534 1000954945 /nfs/dbraw/zinc/95/49/45/1000954945.db2.gz XHVCJLBGMCSCMM-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C(C)C ZINC001419293534 1000954952 /nfs/dbraw/zinc/95/49/52/1000954952.db2.gz XHVCJLBGMCSCMM-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1nccc1CNCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001419316738 1000969584 /nfs/dbraw/zinc/96/95/84/1000969584.db2.gz FJTNRRMZYPDPGM-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1nccc1CNCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419316738 1000969590 /nfs/dbraw/zinc/96/95/90/1000969590.db2.gz FJTNRRMZYPDPGM-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001419405600 1001026497 /nfs/dbraw/zinc/02/64/97/1001026497.db2.gz XUFZOCATMVEKDX-CYDGBPFRSA-N 1 3 316.421 0.038 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)CC(C)(C)C ZINC001419411028 1001029425 /nfs/dbraw/zinc/02/94/25/1001029425.db2.gz HQCWLUVJUSBTFO-IHRRRGAJSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)CN1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001419435483 1001046132 /nfs/dbraw/zinc/04/61/32/1001046132.db2.gz OPQGQKWHBXDJTD-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419525056 1001115068 /nfs/dbraw/zinc/11/50/68/1001115068.db2.gz DBAINPKOJOAPFR-CYBMUJFWSA-N 1 3 305.426 0.358 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419535395 1001123930 /nfs/dbraw/zinc/12/39/30/1001123930.db2.gz ZOOARDPHMULUPG-CYBMUJFWSA-N 1 3 317.437 0.723 20 0 DCADHO CN(CC(=O)NC1CCC([NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC001419670379 1001210111 /nfs/dbraw/zinc/21/01/11/1001210111.db2.gz IEXXJRKHNCRTKJ-SSDMNJCBSA-N 1 3 322.453 0.376 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001419672583 1001211845 /nfs/dbraw/zinc/21/18/45/1001211845.db2.gz SZDRPXRWRANWKP-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001419739217 1001267452 /nfs/dbraw/zinc/26/74/52/1001267452.db2.gz SALGICSHYUSIRO-CYBMUJFWSA-N 1 3 317.437 0.817 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419740636 1001268970 /nfs/dbraw/zinc/26/89/70/1001268970.db2.gz CGXQWPIBRMNBFP-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419740636 1001268971 /nfs/dbraw/zinc/26/89/71/1001268971.db2.gz CGXQWPIBRMNBFP-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402407012 1001283676 /nfs/dbraw/zinc/28/36/76/1001283676.db2.gz ZPFFTSQIAHIGEH-OLZOCXBDSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N(C)C1CC1 ZINC001419761732 1001286394 /nfs/dbraw/zinc/28/63/94/1001286394.db2.gz WYWJGUXJQYWFFA-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N(C)C1CC1 ZINC001419761732 1001286400 /nfs/dbraw/zinc/28/64/00/1001286400.db2.gz WYWJGUXJQYWFFA-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001419773147 1001296498 /nfs/dbraw/zinc/29/64/98/1001296498.db2.gz VTTNCVHIWMUAAJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NCC)C1 ZINC001402436238 1001305360 /nfs/dbraw/zinc/30/53/60/1001305360.db2.gz SDBGOKXUGJQZON-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419818252 1001331791 /nfs/dbraw/zinc/33/17/91/1001331791.db2.gz PMQUUNZDUXPKRI-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001402462131 1001334366 /nfs/dbraw/zinc/33/43/66/1001334366.db2.gz LXHBAEXUQWUWBK-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001419927412 1001412011 /nfs/dbraw/zinc/41/20/11/1001412011.db2.gz AAQDQMUOUGIVPC-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001402775557 1001496993 /nfs/dbraw/zinc/49/69/93/1001496993.db2.gz AMERECHGPOLRQS-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001402775557 1001496994 /nfs/dbraw/zinc/49/69/94/1001496994.db2.gz AMERECHGPOLRQS-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)NC1CC1 ZINC001402788918 1001503007 /nfs/dbraw/zinc/50/30/07/1001503007.db2.gz ZQTHHCYUFREOGB-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21)N(C)C ZINC001402800682 1001508493 /nfs/dbraw/zinc/50/84/93/1001508493.db2.gz CAZJCGUSGXXMLT-OWYFMNJBSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21)N(C)C ZINC001402800682 1001508494 /nfs/dbraw/zinc/50/84/94/1001508494.db2.gz CAZJCGUSGXXMLT-OWYFMNJBSA-N 1 3 309.454 0.800 20 0 DCADHO CNC(=O)C[NH2+]CC1CC(NC(=O)CN(C)CC(C)(C)C)C1 ZINC001402926418 1001582103 /nfs/dbraw/zinc/58/21/03/1001582103.db2.gz GGMRLZDGDFEPQH-UHFFFAOYSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001402973129 1001611344 /nfs/dbraw/zinc/61/13/44/1001611344.db2.gz CIKIKVLRUIQTOW-NEPJUHHUSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001403030092 1001640660 /nfs/dbraw/zinc/64/06/60/1001640660.db2.gz YGCCKWRLYUQXFY-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001403047934 1001648332 /nfs/dbraw/zinc/64/83/32/1001648332.db2.gz NSCGXLYXISMBCD-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H](C)C(=O)N(C)C ZINC001403170678 1001705697 /nfs/dbraw/zinc/70/56/97/1001705697.db2.gz TUDKXDQXXBFFJK-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001403215387 1001739450 /nfs/dbraw/zinc/73/94/50/1001739450.db2.gz VFUBTDGEKJIZPS-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419996647 1001754290 /nfs/dbraw/zinc/75/42/90/1001754290.db2.gz QLFGUXHWVQALDZ-QWHCGFSZSA-N 1 3 321.425 0.305 20 0 DCADHO Cc1nnc(CN[C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001403287672 1001782766 /nfs/dbraw/zinc/78/27/66/1001782766.db2.gz RCAFKORRQGATNC-QWHCGFSZSA-N 1 3 308.430 0.582 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001403297118 1001789080 /nfs/dbraw/zinc/78/90/80/1001789080.db2.gz YBCFLYKQKLUTHD-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C)C(N)=O ZINC001424669559 1001903445 /nfs/dbraw/zinc/90/34/45/1001903445.db2.gz CDKNPORTCFBJAK-MJBXVCDLSA-N 1 3 312.458 0.561 20 0 DCADHO Cc1nccnc1C[NH2+][C@H](C)CCNC(=O)CN1CCCC1 ZINC001403469663 1001998917 /nfs/dbraw/zinc/99/89/17/1001998917.db2.gz OYRBWMUTVDLGEB-CYBMUJFWSA-N 1 3 305.426 0.865 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420195564 1002015183 /nfs/dbraw/zinc/01/51/83/1002015183.db2.gz PFHYCADTUIBHON-LSDHHAIUSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420195564 1002015193 /nfs/dbraw/zinc/01/51/93/1002015193.db2.gz PFHYCADTUIBHON-LSDHHAIUSA-N 1 3 320.437 0.299 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)C1 ZINC001505804603 1016573144 /nfs/dbraw/zinc/57/31/44/1016573144.db2.gz MTWPMVMXHTZSMC-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)C1 ZINC001505804603 1016573153 /nfs/dbraw/zinc/57/31/53/1016573153.db2.gz MTWPMVMXHTZSMC-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCn1cccn1 ZINC001403556121 1002134070 /nfs/dbraw/zinc/13/40/70/1002134070.db2.gz OESPBBXQJOSRSM-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001403631284 1002238241 /nfs/dbraw/zinc/23/82/41/1002238241.db2.gz OQJLDYXSHAHNAO-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001403631284 1002238251 /nfs/dbraw/zinc/23/82/51/1002238251.db2.gz OQJLDYXSHAHNAO-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)Cc1ccccc1 ZINC001420343865 1002255091 /nfs/dbraw/zinc/25/50/91/1002255091.db2.gz KFDJBYNLDILIOM-SJORKVTESA-N 1 3 319.449 0.590 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)Cc1ccccc1 ZINC001420343865 1002255104 /nfs/dbraw/zinc/25/51/04/1002255104.db2.gz KFDJBYNLDILIOM-SJORKVTESA-N 1 3 319.449 0.590 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420364685 1002285106 /nfs/dbraw/zinc/28/51/06/1002285106.db2.gz HPGBUCPCVMHBES-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420364685 1002285115 /nfs/dbraw/zinc/28/51/15/1002285115.db2.gz HPGBUCPCVMHBES-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001425159670 1002408567 /nfs/dbraw/zinc/40/85/67/1002408567.db2.gz IKWFLMGGRGTVBU-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NC(C)(C)C)CN1C(=O)CC[NH+](C)C ZINC001403745328 1002455238 /nfs/dbraw/zinc/45/52/38/1002455238.db2.gz NNUWFHLEANPSGW-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001420476609 1002474397 /nfs/dbraw/zinc/47/43/97/1002474397.db2.gz KULBKILMQHKGGX-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCC(=O)N(C)C)C(C)(C)C2)CC[N@@H+]1C ZINC001403816845 1002565474 /nfs/dbraw/zinc/56/54/74/1002565474.db2.gz SNGQBMJXCILXOS-MCIONIFRSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCC(=O)N(C)C)C(C)(C)C2)CC[N@H+]1C ZINC001403816845 1002565484 /nfs/dbraw/zinc/56/54/84/1002565484.db2.gz SNGQBMJXCILXOS-MCIONIFRSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001420550820 1002603440 /nfs/dbraw/zinc/60/34/40/1002603440.db2.gz CCZSDZVQMCYTTP-AWEZNQCLSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001420550820 1002603446 /nfs/dbraw/zinc/60/34/46/1002603446.db2.gz CCZSDZVQMCYTTP-AWEZNQCLSA-N 1 3 308.430 0.056 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001425379433 1002623205 /nfs/dbraw/zinc/62/32/05/1002623205.db2.gz FCRVJSGQYCSOIW-MELADBBJSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001425379433 1002623212 /nfs/dbraw/zinc/62/32/12/1002623212.db2.gz FCRVJSGQYCSOIW-MELADBBJSA-N 1 3 310.442 0.030 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001425391123 1002633969 /nfs/dbraw/zinc/63/39/69/1002633969.db2.gz FIOWSTLEJDXASU-HDJSIYSDSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001425418070 1002658875 /nfs/dbraw/zinc/65/88/75/1002658875.db2.gz ZBOGPEWQOSVXLK-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403876892 1002668066 /nfs/dbraw/zinc/66/80/66/1002668066.db2.gz JPXZIROQXYWFTK-HZPDHXFCSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403876892 1002668071 /nfs/dbraw/zinc/66/80/71/1002668071.db2.gz JPXZIROQXYWFTK-HZPDHXFCSA-N 1 3 320.437 0.251 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC001508153965 1016673860 /nfs/dbraw/zinc/67/38/60/1016673860.db2.gz CVJQJHPXLVTMTI-UHFFFAOYSA-N 1 3 308.430 0.234 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001403977491 1002837215 /nfs/dbraw/zinc/83/72/15/1002837215.db2.gz NLEHWPBJXIVJLW-OLZOCXBDSA-N 1 3 314.474 0.582 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001425621867 1002902097 /nfs/dbraw/zinc/90/20/97/1002902097.db2.gz CGGJKNPPLLUXFX-QWHCGFSZSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001420752867 1002915053 /nfs/dbraw/zinc/91/50/53/1002915053.db2.gz QDHQEAPJQDSKJT-GJZGRUSLSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001420752867 1002915062 /nfs/dbraw/zinc/91/50/62/1002915062.db2.gz QDHQEAPJQDSKJT-GJZGRUSLSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001405854538 1003143822 /nfs/dbraw/zinc/14/38/22/1003143822.db2.gz DAMPTATYKPFBBT-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]CCC1CCCC1 ZINC001425845187 1003173768 /nfs/dbraw/zinc/17/37/68/1003173768.db2.gz VCVSGFKVOBAVCF-AWEZNQCLSA-N 1 3 308.426 0.908 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1)[NH+](C)C ZINC001405890191 1003175563 /nfs/dbraw/zinc/17/55/63/1003175563.db2.gz JVLVLOFEZHHPFF-DZGCQCFKSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cn(C)nn2)[C@H](C)C1 ZINC001405967030 1003228335 /nfs/dbraw/zinc/22/83/35/1003228335.db2.gz JRDAAOPWLKIHMC-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cn(C)nn2)[C@H](C)C1 ZINC001405967030 1003228343 /nfs/dbraw/zinc/22/83/43/1003228343.db2.gz JRDAAOPWLKIHMC-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@H](NCc1nncn1C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001405985461 1003241840 /nfs/dbraw/zinc/24/18/40/1003241840.db2.gz LALXJRPOHSACOV-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(N)=O ZINC001406007062 1003257618 /nfs/dbraw/zinc/25/76/18/1003257618.db2.gz WAFKERFUMRSJQU-UONOGXRCSA-N 1 3 321.425 0.577 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001425957906 1003284356 /nfs/dbraw/zinc/28/43/56/1003284356.db2.gz FTRCEYUASMKZHA-GXTWGEPZSA-N 1 3 324.469 0.289 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCc1n[nH]c(C2CC2)n1 ZINC001421129012 1003358611 /nfs/dbraw/zinc/35/86/11/1003358611.db2.gz LWYVKPZIYJFPBS-ZDUSSCGKSA-N 1 3 320.441 0.714 20 0 DCADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001426033610 1003364474 /nfs/dbraw/zinc/36/44/74/1003364474.db2.gz UCXLFVCRIMFUOL-GOEBONIOSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001426033610 1003364485 /nfs/dbraw/zinc/36/44/85/1003364485.db2.gz UCXLFVCRIMFUOL-GOEBONIOSA-N 1 3 320.437 0.332 20 0 DCADHO C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001426085231 1003420292 /nfs/dbraw/zinc/42/02/92/1003420292.db2.gz RSWZNJNHHSRDGL-KBPBESRZSA-N 1 3 317.474 0.096 20 0 DCADHO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001426085231 1003420297 /nfs/dbraw/zinc/42/02/97/1003420297.db2.gz RSWZNJNHHSRDGL-KBPBESRZSA-N 1 3 317.474 0.096 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCc2cccnc2)CCOCC1 ZINC001421314784 1003530279 /nfs/dbraw/zinc/53/02/79/1003530279.db2.gz YSFLQLOJZXSBNZ-UHFFFAOYSA-N 1 3 320.437 0.788 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC001406291163 1003574297 /nfs/dbraw/zinc/57/42/97/1003574297.db2.gz ADGJIAQWVXNLIL-LBPRGKRZSA-N 1 3 307.385 0.439 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)cc1 ZINC001406309067 1003589969 /nfs/dbraw/zinc/58/99/69/1003589969.db2.gz RUQRWSWPIJLGGC-HNNXBMFYSA-N 1 3 311.401 0.733 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001406324922 1003606986 /nfs/dbraw/zinc/60/69/86/1003606986.db2.gz IFSOAMPWULZJKI-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001406365000 1003642584 /nfs/dbraw/zinc/64/25/84/1003642584.db2.gz KODNZYYMJBNVFV-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001406365000 1003642592 /nfs/dbraw/zinc/64/25/92/1003642592.db2.gz KODNZYYMJBNVFV-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406397153 1003679168 /nfs/dbraw/zinc/67/91/68/1003679168.db2.gz UECIBCPIAVIGRX-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001406399577 1003680513 /nfs/dbraw/zinc/68/05/13/1003680513.db2.gz MJRXXKWAKOTMTJ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001406413993 1003697237 /nfs/dbraw/zinc/69/72/37/1003697237.db2.gz WEMRKLHYDLYRBQ-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCN(C(C)C)C1=O ZINC001406418378 1003700119 /nfs/dbraw/zinc/70/01/19/1003700119.db2.gz BWYDJBZLWQICNS-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCN(C(C)C)C1=O ZINC001406418378 1003700126 /nfs/dbraw/zinc/70/01/26/1003700126.db2.gz BWYDJBZLWQICNS-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CN1CC[C@H](NC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)C1=O ZINC001406782386 1004090210 /nfs/dbraw/zinc/09/02/10/1004090210.db2.gz RJOHPDNPRRDMDG-KBPBESRZSA-N 1 3 322.453 0.043 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1)CC(C)(C)C ZINC001406798737 1004105134 /nfs/dbraw/zinc/10/51/34/1004105134.db2.gz RARASRNGTVYENW-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001406817570 1004118603 /nfs/dbraw/zinc/11/86/03/1004118603.db2.gz XMPIDNGZIMFUMX-OCCSQVGLSA-N 1 3 321.425 0.257 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001428962699 1004293299 /nfs/dbraw/zinc/29/32/99/1004293299.db2.gz JEXWGSLNWDEPLB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001407008764 1004302242 /nfs/dbraw/zinc/30/22/42/1004302242.db2.gz OOKPKDKOQMCYSK-GJZGRUSLSA-N 1 3 319.453 0.994 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001427380718 1004355333 /nfs/dbraw/zinc/35/53/33/1004355333.db2.gz ZGRRNDVSCWCEIQ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001407101355 1004382581 /nfs/dbraw/zinc/38/25/81/1004382581.db2.gz YMPJRDCFIHHXLE-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001407108165 1004390432 /nfs/dbraw/zinc/39/04/32/1004390432.db2.gz HUBCFQBJQYHXHX-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001427453529 1004396201 /nfs/dbraw/zinc/39/62/01/1004396201.db2.gz KIBILLQCZJPDTR-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1)CC(C)(C)C ZINC001407362241 1004590962 /nfs/dbraw/zinc/59/09/62/1004590962.db2.gz LNLNZMSMRNKOMB-INIZCTEOSA-N 1 3 317.449 0.877 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1)CC(C)(C)C ZINC001407362241 1004590970 /nfs/dbraw/zinc/59/09/70/1004590970.db2.gz LNLNZMSMRNKOMB-INIZCTEOSA-N 1 3 317.449 0.877 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001427790972 1004610114 /nfs/dbraw/zinc/61/01/14/1004610114.db2.gz VQLZHWAHBCCOMF-ZDUSSCGKSA-N 1 3 321.425 0.320 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001427790972 1004610116 /nfs/dbraw/zinc/61/01/16/1004610116.db2.gz VQLZHWAHBCCOMF-ZDUSSCGKSA-N 1 3 321.425 0.320 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001407538591 1004719839 /nfs/dbraw/zinc/71/98/39/1004719839.db2.gz PPEVIGDKKGJZJY-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001407543397 1004721634 /nfs/dbraw/zinc/72/16/34/1004721634.db2.gz PVCZOBDWIVBGPA-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001407622945 1004769012 /nfs/dbraw/zinc/76/90/12/1004769012.db2.gz DVWNEUHCYATPQC-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001407622945 1004769019 /nfs/dbraw/zinc/76/90/19/1004769019.db2.gz DVWNEUHCYATPQC-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001508590508 1016926850 /nfs/dbraw/zinc/92/68/50/1016926850.db2.gz YQTANDROIQMGOY-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nnc(CNC2(C)CCN(C(=O)CCC[NH+](C)C)CC2)[nH]1 ZINC001408109317 1005048139 /nfs/dbraw/zinc/04/81/39/1005048139.db2.gz BZOXGLYQYHTAOU-UHFFFAOYSA-N 1 3 322.457 0.926 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001414637062 1005374341 /nfs/dbraw/zinc/37/43/41/1005374341.db2.gz XXVUQWBIKQGBCT-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001415187647 1005477865 /nfs/dbraw/zinc/47/78/65/1005477865.db2.gz FVLNWHGJSJLDHJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001415187647 1005477866 /nfs/dbraw/zinc/47/78/66/1005477866.db2.gz FVLNWHGJSJLDHJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001415311477 1005500295 /nfs/dbraw/zinc/50/02/95/1005500295.db2.gz MYPJYLMYTFFQIH-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415391673 1005516501 /nfs/dbraw/zinc/51/65/01/1005516501.db2.gz UPSZXEXCBAPDJS-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415391673 1005516504 /nfs/dbraw/zinc/51/65/04/1005516504.db2.gz UPSZXEXCBAPDJS-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415754385 1005606024 /nfs/dbraw/zinc/60/60/24/1005606024.db2.gz MIBBBBFABWFNRG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415754385 1005606025 /nfs/dbraw/zinc/60/60/25/1005606025.db2.gz MIBBBBFABWFNRG-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001417768678 1005886819 /nfs/dbraw/zinc/88/68/19/1005886819.db2.gz ABXYWHHOWZAQOO-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC[NH+]2CCCCC2)n1 ZINC001417820707 1005896358 /nfs/dbraw/zinc/89/63/58/1005896358.db2.gz KLRQOCKODMXKBW-UHFFFAOYSA-N 1 3 321.425 0.784 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)N2CCCC2)C2CC2)C1 ZINC001418013694 1005955027 /nfs/dbraw/zinc/95/50/27/1005955027.db2.gz IGUWSAQIABTOOF-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)N2CCCC2)C2CC2)C1 ZINC001418013694 1005955029 /nfs/dbraw/zinc/95/50/29/1005955029.db2.gz IGUWSAQIABTOOF-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO Cn1nccc1CN[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001418062853 1005994247 /nfs/dbraw/zinc/99/42/47/1005994247.db2.gz AMYDSIMGZYUVAC-JOCQHMNTSA-N 1 3 305.426 0.499 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001418118170 1006064656 /nfs/dbraw/zinc/06/46/56/1006064656.db2.gz DUOZYWMSXMNOIP-KBPBESRZSA-N 1 3 303.422 0.487 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001418118170 1006064669 /nfs/dbraw/zinc/06/46/69/1006064669.db2.gz DUOZYWMSXMNOIP-KBPBESRZSA-N 1 3 303.422 0.487 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438694287 1006038751 /nfs/dbraw/zinc/03/87/51/1006038751.db2.gz QDBAUJVCFWEGEL-STQMWFEESA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438715835 1006064146 /nfs/dbraw/zinc/06/41/46/1006064146.db2.gz RXJNBWDXBCQJMZ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001438770245 1006104425 /nfs/dbraw/zinc/10/44/25/1006104425.db2.gz LUNYIFSYTFVXHK-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001438806224 1006131684 /nfs/dbraw/zinc/13/16/84/1006131684.db2.gz PCJOEZRHBDUPQX-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)n1 ZINC001418233800 1006218144 /nfs/dbraw/zinc/21/81/44/1006218144.db2.gz KBBPQHVGHLNSCH-LBPRGKRZSA-N 1 3 322.457 0.474 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001438950066 1006260099 /nfs/dbraw/zinc/26/00/99/1006260099.db2.gz LWPNXHXYQXHUGW-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)N(C)C)C1 ZINC001438950066 1006260106 /nfs/dbraw/zinc/26/01/06/1006260106.db2.gz LWPNXHXYQXHUGW-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N[C@H]1CCNC1=O ZINC001418262220 1006267396 /nfs/dbraw/zinc/26/73/96/1006267396.db2.gz JWBXDTRXZRKFHQ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N(C)C ZINC001418276506 1006289761 /nfs/dbraw/zinc/28/97/61/1006289761.db2.gz QJRQMUGNAGVUBZ-GFCCVEGCSA-N 1 3 300.447 0.147 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418321582 1006369953 /nfs/dbraw/zinc/36/99/53/1006369953.db2.gz WXTDLTOMOKSEKH-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418321582 1006369966 /nfs/dbraw/zinc/36/99/66/1006369966.db2.gz WXTDLTOMOKSEKH-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001436895914 1006442338 /nfs/dbraw/zinc/44/23/38/1006442338.db2.gz NRZWUIBITHISSZ-IHRRRGAJSA-N 1 3 324.469 0.622 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC ZINC001437058869 1006554821 /nfs/dbraw/zinc/55/48/21/1006554821.db2.gz SVFBQMLMTKMGSY-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437289686 1006802804 /nfs/dbraw/zinc/80/28/04/1006802804.db2.gz OAJXBELSEZENAS-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCc1cccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC001452664226 1006976590 /nfs/dbraw/zinc/97/65/90/1006976590.db2.gz ZRSIMXFKPLFOQF-DLBZAZTESA-N 1 3 317.433 0.682 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001437719011 1007303294 /nfs/dbraw/zinc/30/32/94/1007303294.db2.gz GLTCDYPRGGCOFN-AWEZNQCLSA-N 1 3 319.453 0.700 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(CCCF)C2)C1 ZINC001440193780 1007572025 /nfs/dbraw/zinc/57/20/25/1007572025.db2.gz NYEDDULMRWJNND-HIFRSBDPSA-N 1 3 301.406 0.241 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCCN(CCCF)C2)C1 ZINC001440193780 1007572029 /nfs/dbraw/zinc/57/20/29/1007572029.db2.gz NYEDDULMRWJNND-HIFRSBDPSA-N 1 3 301.406 0.241 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001440343024 1007682311 /nfs/dbraw/zinc/68/23/11/1007682311.db2.gz JBDTZBPZAPUJKT-HDJSIYSDSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H](C)C(=O)NC ZINC001438317611 1007814468 /nfs/dbraw/zinc/81/44/68/1007814468.db2.gz KLNQAMSTXWCCGK-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC1CC1 ZINC001438367917 1007862496 /nfs/dbraw/zinc/86/24/96/1007862496.db2.gz AFWFLDDMEQZBEL-QWHCGFSZSA-N 1 3 322.453 0.234 20 0 DCADHO CO[C@H](C)C[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001440570434 1007894790 /nfs/dbraw/zinc/89/47/90/1007894790.db2.gz GJLXHCXXAZIUMS-GFCCVEGCSA-N 1 3 324.425 0.551 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001440598532 1007910465 /nfs/dbraw/zinc/91/04/65/1007910465.db2.gz WWKRLNCTQKBNGD-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO C[NH+](C)CCC(=O)NCCC1CCN([C@H]2CCNC2=O)CC1 ZINC001438455578 1007920259 /nfs/dbraw/zinc/92/02/59/1007920259.db2.gz KZGNAQKAIXQCRQ-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001438466973 1007924820 /nfs/dbraw/zinc/92/48/20/1007924820.db2.gz WHVOBCLZPZZQNE-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001438466973 1007924828 /nfs/dbraw/zinc/92/48/28/1007924828.db2.gz WHVOBCLZPZZQNE-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001438502847 1007954414 /nfs/dbraw/zinc/95/44/14/1007954414.db2.gz YEYMKPSRICOJBH-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](NCC(=O)N(C)C1CC1)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440848737 1008064811 /nfs/dbraw/zinc/06/48/11/1008064811.db2.gz WDBRRFDALXIFIX-CHWSQXEVSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1ccnn1C ZINC001440861848 1008077080 /nfs/dbraw/zinc/07/70/80/1008077080.db2.gz QLZOFTMBNSNPTA-ZIAGYGMSSA-N 1 3 309.458 0.786 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248284 1008289005 /nfs/dbraw/zinc/28/90/05/1008289005.db2.gz AAGKAJGCWLPXLK-HOCLYGCPSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248284 1008289010 /nfs/dbraw/zinc/28/90/10/1008289010.db2.gz AAGKAJGCWLPXLK-HOCLYGCPSA-N 1 3 319.453 0.665 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@@H]1CCCNC1=O ZINC001441613345 1008425419 /nfs/dbraw/zinc/42/54/19/1008425419.db2.gz GAPIPJSIUMEUDK-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001453486757 1008524976 /nfs/dbraw/zinc/52/49/76/1008524976.db2.gz DOWQEUUBVXMYMF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001453486757 1008524988 /nfs/dbraw/zinc/52/49/88/1008524988.db2.gz DOWQEUUBVXMYMF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001421418770 1008556493 /nfs/dbraw/zinc/55/64/93/1008556493.db2.gz ITVJFYYXVVFJJW-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001441844192 1008562750 /nfs/dbraw/zinc/56/27/50/1008562750.db2.gz UQMRYXKKCGINCV-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001441851241 1008572807 /nfs/dbraw/zinc/57/28/07/1008572807.db2.gz BMIGPDCDEJOSCJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001441851241 1008572817 /nfs/dbraw/zinc/57/28/17/1008572817.db2.gz BMIGPDCDEJOSCJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001453551544 1008574095 /nfs/dbraw/zinc/57/40/95/1008574095.db2.gz MKVFIPCGXPMHPN-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001453551544 1008574102 /nfs/dbraw/zinc/57/41/02/1008574102.db2.gz MKVFIPCGXPMHPN-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](N[C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C)C(N)=O ZINC001441928624 1008668829 /nfs/dbraw/zinc/66/88/29/1008668829.db2.gz GQYJQTSLTACSOZ-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](N[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C)C(N)=O ZINC001441928624 1008668832 /nfs/dbraw/zinc/66/88/32/1008668832.db2.gz GQYJQTSLTACSOZ-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O)N(C)C ZINC001421540265 1008703770 /nfs/dbraw/zinc/70/37/70/1008703770.db2.gz QQLSRULSOGKOHL-QMIVOQANSA-N 1 3 324.469 0.560 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O)N(C)C ZINC001421540265 1008703783 /nfs/dbraw/zinc/70/37/83/1008703783.db2.gz QQLSRULSOGKOHL-QMIVOQANSA-N 1 3 324.469 0.560 20 0 DCADHO CC[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001421583526 1008758706 /nfs/dbraw/zinc/75/87/06/1008758706.db2.gz OMLBEIHHMXKTCK-JSGCOSHPSA-N 1 3 321.425 0.434 20 0 DCADHO COC[C@@H](C)N1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001421611762 1008795043 /nfs/dbraw/zinc/79/50/43/1008795043.db2.gz IOYLESZJCBNUPX-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001433488867 1008847757 /nfs/dbraw/zinc/84/77/57/1008847757.db2.gz XCXCDFHGNCFGPE-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@@H](N2CCC(CCNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001421641619 1008858609 /nfs/dbraw/zinc/85/86/09/1008858609.db2.gz ZIWDRFBWLLRBPH-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001442054644 1008892020 /nfs/dbraw/zinc/89/20/20/1008892020.db2.gz SRBVWDIDFCFOQG-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001442054644 1008892037 /nfs/dbraw/zinc/89/20/37/1008892037.db2.gz SRBVWDIDFCFOQG-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001421687561 1008933225 /nfs/dbraw/zinc/93/32/25/1008933225.db2.gz NFCHPTPCELWGAD-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001421703244 1008959828 /nfs/dbraw/zinc/95/98/28/1008959828.db2.gz ZGQZHDXGDMMWID-OLZOCXBDSA-N 1 3 316.421 0.122 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(C)(C)C ZINC001442098598 1008973449 /nfs/dbraw/zinc/97/34/49/1008973449.db2.gz QDSKQBMSTBSQEY-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C)C(N)=O ZINC001421720625 1008981820 /nfs/dbraw/zinc/98/18/20/1008981820.db2.gz DFYLFKVSQVQMFK-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)N(C)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001421785566 1009089178 /nfs/dbraw/zinc/08/91/78/1009089178.db2.gz LWVMDABBBUYWEV-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001421785566 1009089189 /nfs/dbraw/zinc/08/91/89/1009089189.db2.gz LWVMDABBBUYWEV-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cccn1 ZINC001442291646 1009164416 /nfs/dbraw/zinc/16/44/16/1009164416.db2.gz DMJFJWRTACDPBQ-LSDHHAIUSA-N 1 3 307.442 0.709 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001422062320 1009448251 /nfs/dbraw/zinc/44/82/51/1009448251.db2.gz NFMNFTIRAICGNZ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001422158234 1009580472 /nfs/dbraw/zinc/58/04/72/1009580472.db2.gz NQTJZCAPOJJDJJ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001455318568 1009655793 /nfs/dbraw/zinc/65/57/93/1009655793.db2.gz DLBMTTWQLJRTBC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001455318568 1009655803 /nfs/dbraw/zinc/65/58/03/1009655803.db2.gz DLBMTTWQLJRTBC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)NC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001422242265 1009697908 /nfs/dbraw/zinc/69/79/08/1009697908.db2.gz DQZVVAFUYYZGCD-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001455470378 1009757271 /nfs/dbraw/zinc/75/72/71/1009757271.db2.gz NQZPAPGGATYFLA-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001455470378 1009757275 /nfs/dbraw/zinc/75/72/75/1009757275.db2.gz NQZPAPGGATYFLA-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001422332287 1009896881 /nfs/dbraw/zinc/89/68/81/1009896881.db2.gz VITJUSKXMAIPNC-VXGBXAGGSA-N 1 3 310.442 0.232 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C(C)C)C1=O)N(C)C ZINC001422552345 1010283009 /nfs/dbraw/zinc/28/30/09/1010283009.db2.gz GHAHDRLONJMLRF-RDBSUJKOSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001422729421 1010537942 /nfs/dbraw/zinc/53/79/42/1010537942.db2.gz CFJMBAFGSSPRTP-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001422729421 1010537953 /nfs/dbraw/zinc/53/79/53/1010537953.db2.gz CFJMBAFGSSPRTP-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CN1CCN(C)[C@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC001477868538 1017308789 /nfs/dbraw/zinc/30/87/89/1017308789.db2.gz KSTXHVCIZJYAEI-OAHLLOKOSA-N 1 3 316.409 0.379 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001422945792 1010761989 /nfs/dbraw/zinc/76/19/89/1010761989.db2.gz HPYGMAXVERDPME-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001423153549 1010928488 /nfs/dbraw/zinc/92/84/88/1010928488.db2.gz FOOPJZMKFATAFZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001423153549 1010928493 /nfs/dbraw/zinc/92/84/93/1010928493.db2.gz FOOPJZMKFATAFZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C)NC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001423477579 1011176286 /nfs/dbraw/zinc/17/62/86/1011176286.db2.gz LJURAQBOLDVGKS-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)C1=O ZINC001423485247 1011180106 /nfs/dbraw/zinc/18/01/06/1011180106.db2.gz XXVNBSMTTDNNQX-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001423639270 1011377918 /nfs/dbraw/zinc/37/79/18/1011377918.db2.gz TUMAILQMOSAHII-DOTOQJQBSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N(CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001431621511 1011474082 /nfs/dbraw/zinc/47/40/82/1011474082.db2.gz GWNWGYHYKNSKPL-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001431621511 1011474086 /nfs/dbraw/zinc/47/40/86/1011474086.db2.gz GWNWGYHYKNSKPL-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@H]1CCCCN1C ZINC001445301871 1011630043 /nfs/dbraw/zinc/63/00/43/1011630043.db2.gz MHIFBMSYLVIDJZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001445330910 1011663364 /nfs/dbraw/zinc/66/33/64/1011663364.db2.gz SUZGIXGJMXAUKJ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001432046473 1011906878 /nfs/dbraw/zinc/90/68/78/1011906878.db2.gz ZIZHWBPUCOSUQV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001432046473 1011906885 /nfs/dbraw/zinc/90/68/85/1011906885.db2.gz ZIZHWBPUCOSUQV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC1(C)CNCCN1C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001553360205 1011914784 /nfs/dbraw/zinc/91/47/84/1011914784.db2.gz ZPLGCFOWSOLGHG-UHFFFAOYSA-N 1 3 309.439 0.377 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)s1 ZINC001553428166 1011969227 /nfs/dbraw/zinc/96/92/27/1011969227.db2.gz LSZLGJJZRZGCGT-RDBSUJKOSA-N 1 3 309.435 0.945 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553437944 1011976062 /nfs/dbraw/zinc/97/60/62/1011976062.db2.gz DSUXJYKBCKZZIT-HUUCEWRRSA-N 1 3 324.469 0.738 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]([NH3+])C2(CCC2)C1 ZINC001553452996 1011993438 /nfs/dbraw/zinc/99/34/38/1011993438.db2.gz WMNQXRGNWIDXOL-KGLIPLIRSA-N 1 3 310.442 0.620 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCN(C2CCC2)C1=O ZINC001445635256 1012034791 /nfs/dbraw/zinc/03/47/91/1012034791.db2.gz WFBBFWQBIBAZME-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCN(C2CCC2)C1=O ZINC001445635256 1012034810 /nfs/dbraw/zinc/03/48/10/1012034810.db2.gz WFBBFWQBIBAZME-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001553549736 1012097520 /nfs/dbraw/zinc/09/75/20/1012097520.db2.gz KINAQZORQLNEKK-KGLIPLIRSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001553549736 1012097541 /nfs/dbraw/zinc/09/75/41/1012097541.db2.gz KINAQZORQLNEKK-KGLIPLIRSA-N 1 3 321.429 0.178 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001536373852 1012104610 /nfs/dbraw/zinc/10/46/10/1012104610.db2.gz JGWYCLBKUVGNTR-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001536420897 1012122236 /nfs/dbraw/zinc/12/22/36/1012122236.db2.gz RWTWJJVEBZLPKV-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC001432294277 1012279430 /nfs/dbraw/zinc/27/94/30/1012279430.db2.gz FUEXURZMKSFDLR-RRFJBIMHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC001432294277 1012279447 /nfs/dbraw/zinc/27/94/47/1012279447.db2.gz FUEXURZMKSFDLR-RRFJBIMHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001432455854 1012506187 /nfs/dbraw/zinc/50/61/87/1012506187.db2.gz XLYYYFLPWVOBOH-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001432455854 1012506208 /nfs/dbraw/zinc/50/62/08/1012506208.db2.gz XLYYYFLPWVOBOH-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001432455806 1012507343 /nfs/dbraw/zinc/50/73/43/1012507343.db2.gz WYOROZQRGDAAMQ-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001432455806 1012507359 /nfs/dbraw/zinc/50/73/59/1012507359.db2.gz WYOROZQRGDAAMQ-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1)C(N)=O ZINC001446014583 1012525267 /nfs/dbraw/zinc/52/52/67/1012525267.db2.gz MQURZIUXZFDQKQ-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001459452914 1012736145 /nfs/dbraw/zinc/73/61/45/1012736145.db2.gz QRKRTZWPTGWBMY-MRXNPFEDSA-N 1 3 321.425 0.401 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1)C(N)=O ZINC001446301488 1012737474 /nfs/dbraw/zinc/73/74/74/1012737474.db2.gz UCZIODCBDPTRPB-KGLIPLIRSA-N 1 3 324.469 0.609 20 0 DCADHO CC1(C)CN(C(=O)C2(N)Cc3ccccc3C2)CC2(C[NH2+]C2)O1 ZINC001548575385 1012747094 /nfs/dbraw/zinc/74/70/94/1012747094.db2.gz BCLIGIDGOKMJAJ-UHFFFAOYSA-N 1 3 315.417 0.462 20 0 DCADHO NC1(C(=O)N2CCC[C@H]([NH2+]CCO)C2)Cc2ccccc2C1 ZINC001548575236 1012748041 /nfs/dbraw/zinc/74/80/41/1012748041.db2.gz YOOUGUMLABIEGQ-HNNXBMFYSA-N 1 3 303.406 0.056 20 0 DCADHO C[C@H](C(=O)N1NC(=O)C[C@]12CC[NH2+]C2)[C@@H](N)c1ccccc1 ZINC001548578251 1012754101 /nfs/dbraw/zinc/75/41/01/1012754101.db2.gz UJKZHLFFKOTMMI-PEYYIBSZSA-N 1 3 302.378 0.318 20 0 DCADHO CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC2(CNC2)O1 ZINC001548579924 1012758980 /nfs/dbraw/zinc/75/89/80/1012758980.db2.gz UQMKSJTXVUQGBY-UONOGXRCSA-N 1 3 307.438 0.602 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001446447076 1012802881 /nfs/dbraw/zinc/80/28/81/1012802881.db2.gz HUOVXTPUBNDFLN-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001446447076 1012802896 /nfs/dbraw/zinc/80/28/96/1012802896.db2.gz HUOVXTPUBNDFLN-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CCC1CCOCC1 ZINC001497099979 1017865910 /nfs/dbraw/zinc/86/59/10/1017865910.db2.gz WPNSEQOVBQUUBF-AWEZNQCLSA-N 1 3 324.425 0.144 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@@H](C)C(=O)N(C)C ZINC001479861067 1017904950 /nfs/dbraw/zinc/90/49/50/1017904950.db2.gz FFHYEYRMXYFKLD-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@@H](C)C(=O)N(C)C ZINC001479861067 1017904969 /nfs/dbraw/zinc/90/49/69/1017904969.db2.gz FFHYEYRMXYFKLD-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C ZINC001497331270 1018054065 /nfs/dbraw/zinc/05/40/65/1018054065.db2.gz KYIIURNXCBETAM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CC12CCN([C@@H]1CCCNC1=O)CC2 ZINC001479985613 1018095800 /nfs/dbraw/zinc/09/58/00/1018095800.db2.gz SAKCPQLZPMKNGX-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001499920414 1018134426 /nfs/dbraw/zinc/13/44/26/1018134426.db2.gz DTSSEFOEIGLCTK-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001499920414 1018134430 /nfs/dbraw/zinc/13/44/30/1018134430.db2.gz DTSSEFOEIGLCTK-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497448128 1018143010 /nfs/dbraw/zinc/14/30/10/1018143010.db2.gz VEKRTBNCMCWLEE-OAHLLOKOSA-N 1 3 309.458 0.944 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CCC[NH+]1CCCC1 ZINC001497500572 1018171959 /nfs/dbraw/zinc/17/19/59/1018171959.db2.gz IWNGUMCHBSEJDT-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH+](C)CCC(=O)NCCN(C(=O)CN1CCCC1)C1CC1 ZINC001497548679 1018209475 /nfs/dbraw/zinc/20/94/75/1018209475.db2.gz WBXUVXAHVTUEEF-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001480231385 1018341176 /nfs/dbraw/zinc/34/11/76/1018341176.db2.gz DCYHYHJPINXPOR-GASCZTMLSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnc(C)nc2)C1 ZINC001480231385 1018341190 /nfs/dbraw/zinc/34/11/90/1018341190.db2.gz DCYHYHJPINXPOR-GASCZTMLSA-N 1 3 305.426 0.864 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001480476819 1018574474 /nfs/dbraw/zinc/57/44/74/1018574474.db2.gz KFCCEUFYGJMLPY-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001495582197 1018585616 /nfs/dbraw/zinc/58/56/16/1018585616.db2.gz XFSDVQJQYWOEGR-CQSZACIVSA-N 1 3 319.409 0.059 20 0 DCADHO CCCC[C@H](N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001480575251 1018673952 /nfs/dbraw/zinc/67/39/52/1018673952.db2.gz RFGVZUABYYWLEW-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO COc1ncc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001480590383 1018686582 /nfs/dbraw/zinc/68/65/82/1018686582.db2.gz LWOYPCCLKWHAFX-AAEUAGOBSA-N 1 3 321.425 0.340 20 0 DCADHO COc1ncc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001480590383 1018686585 /nfs/dbraw/zinc/68/65/85/1018686585.db2.gz LWOYPCCLKWHAFX-AAEUAGOBSA-N 1 3 321.425 0.340 20 0 DCADHO CCCC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001480667037 1018760141 /nfs/dbraw/zinc/76/01/41/1018760141.db2.gz ZHWMIQWQIAJMEC-GXTWGEPZSA-N 1 3 321.425 0.434 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001480672015 1018762959 /nfs/dbraw/zinc/76/29/59/1018762959.db2.gz IQPZYFPKJIBWAB-OCCSQVGLSA-N 1 3 322.457 0.954 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001480672015 1018762970 /nfs/dbraw/zinc/76/29/70/1018762970.db2.gz IQPZYFPKJIBWAB-OCCSQVGLSA-N 1 3 322.457 0.954 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001496205944 1019161341 /nfs/dbraw/zinc/16/13/41/1019161341.db2.gz DAVUSZLPAVLBMA-GFCCVEGCSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496308184 1019233069 /nfs/dbraw/zinc/23/30/69/1019233069.db2.gz LTVJLATXLIVDRC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496308184 1019233073 /nfs/dbraw/zinc/23/30/73/1019233073.db2.gz LTVJLATXLIVDRC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)[C@H](C)C1 ZINC001496369067 1019271894 /nfs/dbraw/zinc/27/18/94/1019271894.db2.gz PQTJCJKXFKWOFS-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001498819437 1019447821 /nfs/dbraw/zinc/44/78/21/1019447821.db2.gz TVOUIFIJFNKAGE-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001498834575 1019456969 /nfs/dbraw/zinc/45/69/69/1019456969.db2.gz WJWBVJKZNSZONJ-WFASDCNBSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001501968445 1019597562 /nfs/dbraw/zinc/59/75/62/1019597562.db2.gz NOJNOXWTDZSEAS-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001501968445 1019597577 /nfs/dbraw/zinc/59/75/77/1019597577.db2.gz NOJNOXWTDZSEAS-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502017630 1019630946 /nfs/dbraw/zinc/63/09/46/1019630946.db2.gz PYBAOZLRFIQUIS-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001502017630 1019630957 /nfs/dbraw/zinc/63/09/57/1019630957.db2.gz PYBAOZLRFIQUIS-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO Cn1cc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC2)cn1 ZINC001502026029 1019634718 /nfs/dbraw/zinc/63/47/18/1019634718.db2.gz KZQVHWBHPZJYFU-CQSZACIVSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)cn1 ZINC001502026029 1019634729 /nfs/dbraw/zinc/63/47/29/1019634729.db2.gz KZQVHWBHPZJYFU-CQSZACIVSA-N 1 3 305.426 0.500 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001499050031 1019682558 /nfs/dbraw/zinc/68/25/58/1019682558.db2.gz MDQOMUFTTXFQCJ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCO1 ZINC001502087796 1019701439 /nfs/dbraw/zinc/70/14/39/1019701439.db2.gz SUXLDNHYJWRCSB-CABCVRRESA-N 1 3 315.458 0.426 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001493807126 1019725708 /nfs/dbraw/zinc/72/57/08/1019725708.db2.gz VWNGXNAOLUEHLR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494075954 1019967624 /nfs/dbraw/zinc/96/76/24/1019967624.db2.gz ZISWSBYJQJWKPZ-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494075954 1019967628 /nfs/dbraw/zinc/96/76/28/1019967628.db2.gz ZISWSBYJQJWKPZ-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH2+]CC1CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000430950581 290640738 /nfs/dbraw/zinc/64/07/38/290640738.db2.gz RTKOZXIPBAOPIQ-TZMCWYRMSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)[C@@]1(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCSC1 ZINC000278942616 282230125 /nfs/dbraw/zinc/23/01/25/282230125.db2.gz GIUPGSXFSLKEGJ-IAQYHMDHSA-N 1 3 323.466 0.654 20 0 DCADHO CCN1CCN(CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236946394 202086528 /nfs/dbraw/zinc/08/65/28/202086528.db2.gz MSLHXCQIMATJTM-MQVJKMGUSA-N 1 3 308.470 0.661 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000566228075 291284652 /nfs/dbraw/zinc/28/46/52/291284652.db2.gz VFBRJQCDLPPNIF-OLZOCXBDSA-N 1 3 320.437 0.971 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410440849 239278769 /nfs/dbraw/zinc/27/87/69/239278769.db2.gz XRLYHXHQIQJBFK-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000566295065 291291935 /nfs/dbraw/zinc/29/19/35/291291935.db2.gz PTFLQSOLIMEQPB-RBSFLKMASA-N 1 3 324.469 0.278 20 0 DCADHO C[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000566470939 291305702 /nfs/dbraw/zinc/30/57/02/291305702.db2.gz QNCGPNXSGAZNRC-AWEZNQCLSA-N 1 3 304.438 0.658 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCC1 ZINC000420084849 240015554 /nfs/dbraw/zinc/01/55/54/240015554.db2.gz AKKCLLCCTDHCQV-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO COC[C@@]1(CNC(=O)N(C)CC2CCN(C)CC2)CCC[NH2+]1 ZINC000566904603 291328285 /nfs/dbraw/zinc/32/82/85/291328285.db2.gz DKRHWJDGHWSORT-INIZCTEOSA-N 1 3 312.458 0.738 20 0 DCADHO COC[C@]1(CNC(=O)N(C)CC2CCN(C)CC2)CCC[NH2+]1 ZINC000566904604 291328371 /nfs/dbraw/zinc/32/83/71/291328371.db2.gz DKRHWJDGHWSORT-MRXNPFEDSA-N 1 3 312.458 0.738 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000420122953 240018559 /nfs/dbraw/zinc/01/85/59/240018559.db2.gz NFRYGXREXXSQCQ-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420125986 240019246 /nfs/dbraw/zinc/01/92/46/240019246.db2.gz QGTUFMCRPYZUAT-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H](CN)C1CC1)C(C)C ZINC000420067106 240014243 /nfs/dbraw/zinc/01/42/43/240014243.db2.gz RXISKVIHVPENHT-AWEZNQCLSA-N 1 3 312.458 0.417 20 0 DCADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1C[C@H](O)CN1 ZINC000423780771 240246205 /nfs/dbraw/zinc/24/62/05/240246205.db2.gz WTDLDKJBHZLRAS-JKSUJKDBSA-N 1 3 303.406 0.986 20 0 DCADHO C[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)[C@@H]1C[NH3+] ZINC000430546117 240397480 /nfs/dbraw/zinc/39/74/80/240397480.db2.gz IXZADTNVKLOIIN-XJKSGUPXSA-N 1 3 308.470 0.789 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000567348770 291349722 /nfs/dbraw/zinc/34/97/22/291349722.db2.gz NHSHJANBPTYHMW-CHWSQXEVSA-N 1 3 306.414 0.196 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000567416358 291354594 /nfs/dbraw/zinc/35/45/94/291354594.db2.gz QYAORGLRXKTLFL-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000567416358 291354596 /nfs/dbraw/zinc/35/45/96/291354596.db2.gz QYAORGLRXKTLFL-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000567498207 291358351 /nfs/dbraw/zinc/35/83/51/291358351.db2.gz JYZCTRMWFJYDTP-MRXNPFEDSA-N 1 3 311.426 0.377 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000567821556 291380605 /nfs/dbraw/zinc/38/06/05/291380605.db2.gz CKMFMBPPMUPSIC-UONOGXRCSA-N 1 3 313.490 0.828 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000569226408 291467585 /nfs/dbraw/zinc/46/75/85/291467585.db2.gz SQKQFGBJDLQOKH-DYVFJYSZSA-N 1 3 315.421 0.772 20 0 DCADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CNCCO1 ZINC000418766500 284585723 /nfs/dbraw/zinc/58/57/23/284585723.db2.gz MVNCQPRVKPBQHQ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000333614180 252743390 /nfs/dbraw/zinc/74/33/90/252743390.db2.gz SKHNOKGUFAGEGZ-ARFHVFGLSA-N 1 3 319.453 0.971 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000339576252 253107275 /nfs/dbraw/zinc/10/72/75/253107275.db2.gz YDMCTNZDZCNNGL-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000339576252 253107277 /nfs/dbraw/zinc/10/72/77/253107277.db2.gz YDMCTNZDZCNNGL-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000340211119 253218504 /nfs/dbraw/zinc/21/85/04/253218504.db2.gz ZXFMSGDQUOTFEB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)C1CC1 ZINC000340479963 253261548 /nfs/dbraw/zinc/26/15/48/253261548.db2.gz NTKXXMIKLFRFEV-VNHYZAJKSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)C1CC1 ZINC000340479963 253261550 /nfs/dbraw/zinc/26/15/50/253261550.db2.gz NTKXXMIKLFRFEV-VNHYZAJKSA-N 1 3 322.453 0.328 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340496798 253266814 /nfs/dbraw/zinc/26/68/14/253266814.db2.gz GXLZFVVZOCTUNF-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340496798 253266815 /nfs/dbraw/zinc/26/68/15/253266815.db2.gz GXLZFVVZOCTUNF-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340787470 253303176 /nfs/dbraw/zinc/30/31/76/253303176.db2.gz AFTGZNIGWDJDDW-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340787470 253303178 /nfs/dbraw/zinc/30/31/78/253303178.db2.gz AFTGZNIGWDJDDW-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341012256 253336004 /nfs/dbraw/zinc/33/60/04/253336004.db2.gz FCZNYBOEYDXOKL-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341012256 253336006 /nfs/dbraw/zinc/33/60/06/253336006.db2.gz FCZNYBOEYDXOKL-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO COC(=O)COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000341288303 253364233 /nfs/dbraw/zinc/36/42/33/253364233.db2.gz SRILHCTVVFLEQF-UHFFFAOYSA-N 1 3 322.405 0.785 20 0 DCADHO Cc1ccc2ncc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)n2c1 ZINC000347183417 254136771 /nfs/dbraw/zinc/13/67/71/254136771.db2.gz WZVWRESVCXONDD-AWEZNQCLSA-N 1 3 315.421 0.930 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC000347735633 254183824 /nfs/dbraw/zinc/18/38/24/254183824.db2.gz FWRTWRYPVBLSIW-AWEZNQCLSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC000347735633 254183826 /nfs/dbraw/zinc/18/38/26/254183826.db2.gz FWRTWRYPVBLSIW-AWEZNQCLSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC000347735633 254183827 /nfs/dbraw/zinc/18/38/27/254183827.db2.gz FWRTWRYPVBLSIW-AWEZNQCLSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC000347735633 254183829 /nfs/dbraw/zinc/18/38/29/254183829.db2.gz FWRTWRYPVBLSIW-AWEZNQCLSA-N 1 3 314.474 0.630 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000348768197 254253850 /nfs/dbraw/zinc/25/38/50/254253850.db2.gz ZABIUNKJVGTHKH-AWEZNQCLSA-N 1 3 324.469 0.601 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000348768198 254254239 /nfs/dbraw/zinc/25/42/39/254254239.db2.gz ZABIUNKJVGTHKH-CQSZACIVSA-N 1 3 324.469 0.601 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350619606 254319532 /nfs/dbraw/zinc/31/95/32/254319532.db2.gz RHHRETAGRWZLFC-ZDUSSCGKSA-N 1 3 314.474 0.489 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000351556794 254346991 /nfs/dbraw/zinc/34/69/91/254346991.db2.gz HFEGRTVETLFIHJ-OAHLLOKOSA-N 1 3 318.421 0.233 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000337574237 285247711 /nfs/dbraw/zinc/24/77/11/285247711.db2.gz GODGAKFCTXTYFJ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000337574237 285247712 /nfs/dbraw/zinc/24/77/12/285247712.db2.gz GODGAKFCTXTYFJ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)CC1=O ZINC000179057945 285255467 /nfs/dbraw/zinc/25/54/67/285255467.db2.gz OMBLUNXDLHNSSQ-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(C)=O ZINC000245199048 285280429 /nfs/dbraw/zinc/28/04/29/285280429.db2.gz YOCATZJJZBMTKK-ZFWWWQNUSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(C)=O ZINC000245199048 285280433 /nfs/dbraw/zinc/28/04/33/285280433.db2.gz YOCATZJJZBMTKK-ZFWWWQNUSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCN(c2ccccc2CN(CC[NH3+])CCO)CC1 ZINC000414916362 285339323 /nfs/dbraw/zinc/33/93/23/285339323.db2.gz SNRRRXKCJIBFTP-UHFFFAOYSA-N 1 3 306.454 0.582 20 0 DCADHO CC(C)NS(=O)(=O)[C@H]1CCN(CCC2CC[NH2+]CC2)C1 ZINC000420380917 262372444 /nfs/dbraw/zinc/37/24/44/262372444.db2.gz XASRYRRUHXSSFT-AWEZNQCLSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000340214635 131202262 /nfs/dbraw/zinc/20/22/62/131202262.db2.gz LJRLFTSDZTXKKL-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO COCCOCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051470859 395851592 /nfs/dbraw/zinc/85/15/92/395851592.db2.gz UGYRQKARLZCEOZ-UHFFFAOYSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237604439 395916846 /nfs/dbraw/zinc/91/68/46/395916846.db2.gz APSWHEJTDWLAAS-LZWOXQAQSA-N 1 3 309.454 0.944 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN(C)C)CC1=O ZINC000246814218 395957850 /nfs/dbraw/zinc/95/78/50/395957850.db2.gz KIVBWDXMTOCZLM-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCN(C)C)CC1=O ZINC000246814218 395957851 /nfs/dbraw/zinc/95/78/51/395957851.db2.gz KIVBWDXMTOCZLM-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274737854 395972533 /nfs/dbraw/zinc/97/25/33/395972533.db2.gz DPCOOGDIYBEYLX-CYBMUJFWSA-N 1 3 307.394 0.427 20 0 DCADHO CN(C[C@H]1CCOC1)CC1(C[N@H+](C)C[C@H]2CCOC2)COC1 ZINC000247801128 395978557 /nfs/dbraw/zinc/97/85/57/395978557.db2.gz VHSUNQUQMNIKEF-HZPDHXFCSA-N 1 3 312.454 0.940 20 0 DCADHO CN(C[C@H]1CCOC1)CC1(C[N@@H+](C)C[C@H]2CCOC2)COC1 ZINC000247801128 395978560 /nfs/dbraw/zinc/97/85/60/395978560.db2.gz VHSUNQUQMNIKEF-HZPDHXFCSA-N 1 3 312.454 0.940 20 0 DCADHO C[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000261685613 396056206 /nfs/dbraw/zinc/05/62/06/396056206.db2.gz BSJSEITZWFSBSY-YPMHNXCESA-N 1 3 304.394 0.670 20 0 DCADHO C[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000261685613 396056209 /nfs/dbraw/zinc/05/62/09/396056209.db2.gz BSJSEITZWFSBSY-YPMHNXCESA-N 1 3 304.394 0.670 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261797230 396066844 /nfs/dbraw/zinc/06/68/44/396066844.db2.gz IRSLEPCHUQCWPM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000261817124 396068443 /nfs/dbraw/zinc/06/84/43/396068443.db2.gz AJKFELHNGUCESM-CYBMUJFWSA-N 1 3 306.414 0.369 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000276639524 396017315 /nfs/dbraw/zinc/01/73/15/396017315.db2.gz LZQQZMVVGQUNKD-QMCVQRASSA-N 1 3 317.433 0.879 20 0 DCADHO C[NH2+]CCC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000262455875 396141882 /nfs/dbraw/zinc/14/18/82/396141882.db2.gz WMALIDVVAULNHI-UHFFFAOYSA-N 1 3 306.366 0.704 20 0 DCADHO C[C@@H]1CN(CCC2CCN(C(=O)C3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000262227933 396112966 /nfs/dbraw/zinc/11/29/66/396112966.db2.gz LRUOOMINIVJJTD-ZIAGYGMSSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](C[NH3+])C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000262317618 396123114 /nfs/dbraw/zinc/12/31/14/396123114.db2.gz DRHDJRISCWRXFT-JSGCOSHPSA-N 1 3 318.421 0.917 20 0 DCADHO COc1cc(CNC(=O)CCC[NH3+])ccc1OCCN(C)C ZINC000178720308 396205324 /nfs/dbraw/zinc/20/53/24/396205324.db2.gz OSUMIZYCASJGHB-UHFFFAOYSA-N 1 3 309.410 0.991 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000263225944 396206564 /nfs/dbraw/zinc/20/65/64/396206564.db2.gz GMZZNWKWVLFKPZ-NFAWXSAZSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000263225944 396206568 /nfs/dbraw/zinc/20/65/68/396206568.db2.gz GMZZNWKWVLFKPZ-NFAWXSAZSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000262510194 396149408 /nfs/dbraw/zinc/14/94/08/396149408.db2.gz LZQQZMVVGQUNKD-MWQQHZPXSA-N 1 3 317.433 0.879 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000073728511 396150310 /nfs/dbraw/zinc/15/03/10/396150310.db2.gz KXUOLFPLNHTKAF-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000073728511 396150311 /nfs/dbraw/zinc/15/03/11/396150311.db2.gz KXUOLFPLNHTKAF-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO CC[NH+](CC)CCOC1CCN(CCC(=O)NC(N)=O)CC1 ZINC000075007734 396174120 /nfs/dbraw/zinc/17/41/20/396174120.db2.gz RMXGTZNRGGTOSN-UHFFFAOYSA-N 1 3 314.430 0.394 20 0 DCADHO COCCN(C)CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262774186 396180783 /nfs/dbraw/zinc/18/07/83/396180783.db2.gz MSGODRCLPRYRJG-ZDUSSCGKSA-N 1 3 309.414 0.116 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCCN1CCC[C@@H]1CO ZINC000182934843 396256549 /nfs/dbraw/zinc/25/65/49/396256549.db2.gz DFAVJACXSMIHSU-ZIAGYGMSSA-N 1 3 306.472 0.636 20 0 DCADHO CN(C)CCNC(=O)C1CCN(CCC[NH+]2CCCC2)CC1 ZINC000179230372 396224604 /nfs/dbraw/zinc/22/46/04/396224604.db2.gz ADQMDTQEWXFGJA-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC1C[C@@H](C(=O)NCCN(C)C)[C@H](C(=O)NCC[NH+](C)C)C1 ZINC000185482822 396328676 /nfs/dbraw/zinc/32/86/76/396328676.db2.gz BJASLZBAVNZMSI-ZIAGYGMSSA-N 1 3 312.458 0.004 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC(=O)C[C@H]2CNCCO2)c1 ZINC000269250368 396400109 /nfs/dbraw/zinc/40/01/09/396400109.db2.gz XKOUVJVUKJTBIQ-INIZCTEOSA-N 1 3 321.421 0.622 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000187909630 396376177 /nfs/dbraw/zinc/37/61/77/396376177.db2.gz QEAGLZJBMPYDAG-DLBZAZTESA-N 1 3 317.433 0.928 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000187924046 396376218 /nfs/dbraw/zinc/37/62/18/396376218.db2.gz JNUFHKOCXZXRSR-LJISPDSOSA-N 1 3 313.442 0.369 20 0 DCADHO Cc1c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cnn1C ZINC000268894272 396376665 /nfs/dbraw/zinc/37/66/65/396376665.db2.gz JRCAXLICVUBLDK-UHFFFAOYSA-N 1 3 307.442 0.618 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000580191251 396492812 /nfs/dbraw/zinc/49/28/12/396492812.db2.gz VDZTXGWDVMKCDV-JGVFFNPUSA-N 1 3 312.395 0.178 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1(C)C ZINC000580194059 396493080 /nfs/dbraw/zinc/49/30/80/396493080.db2.gz PWOJLZSTCGZODT-KBVBSXBZSA-N 1 3 311.348 0.915 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000372471916 396520410 /nfs/dbraw/zinc/52/04/10/396520410.db2.gz GNQOYTHMWWLOOO-INIZCTEOSA-N 1 3 308.470 0.568 20 0 DCADHO CN(C)C1(CNC(=O)N[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000581381552 396550267 /nfs/dbraw/zinc/55/02/67/396550267.db2.gz LTNONWOOBZKZHK-HNNXBMFYSA-N 1 3 302.422 0.747 20 0 DCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000581666564 396573583 /nfs/dbraw/zinc/57/35/83/396573583.db2.gz NDYNFDMJUUNCQB-SQWLQELKSA-N 1 3 311.426 0.110 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000584766048 396621273 /nfs/dbraw/zinc/62/12/73/396621273.db2.gz FEVKTUCDLVCWSQ-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)[nH]1 ZINC000373885672 396621578 /nfs/dbraw/zinc/62/15/78/396621578.db2.gz MLGOFNHWITZPSI-WBMJQRKESA-N 1 3 312.377 0.869 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000584843824 396629108 /nfs/dbraw/zinc/62/91/08/396629108.db2.gz SVLMWVXZZNKHOF-UMVBOHGHSA-N 1 3 320.441 0.773 20 0 DCADHO CCCNC(=O)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901527 396679113 /nfs/dbraw/zinc/67/91/13/396679113.db2.gz XUVGRRNXZBHFHW-AWEZNQCLSA-N 1 3 310.442 0.934 20 0 DCADHO N[C@@H]1C[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000595902657 396679422 /nfs/dbraw/zinc/67/94/22/396679422.db2.gz DJAXDPJZFMKGRS-GDBMZVCRSA-N 1 3 300.406 0.076 20 0 DCADHO COCCNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000374881249 396694657 /nfs/dbraw/zinc/69/46/57/396694657.db2.gz NLISLSCCDCOUNU-HUUCEWRRSA-N 1 3 309.385 0.623 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000563082564 396701136 /nfs/dbraw/zinc/70/11/36/396701136.db2.gz DXFPGNGISMRGFC-CQSZACIVSA-N 1 3 314.499 0.177 20 0 DCADHO CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@H](CN)C(F)(F)F ZINC000595994660 396705392 /nfs/dbraw/zinc/70/53/92/396705392.db2.gz ILCOMPRCCQIXBU-WCBMZHEXSA-N 1 3 319.331 0.681 20 0 DCADHO COCC1(CNC(=O)C2(N)Cc3ccccc3C2)CC[NH2+]CC1 ZINC000375065853 396709156 /nfs/dbraw/zinc/70/91/56/396709156.db2.gz QERARWJJXOCSOT-UHFFFAOYSA-N 1 3 317.433 0.615 20 0 DCADHO COC[C@@]1(C(=O)NC[C@@H]2NCCc3ccccc32)CC[NH2+]C1 ZINC000563797912 396778252 /nfs/dbraw/zinc/77/82/52/396778252.db2.gz BYXICAXJERTPMZ-DOTOQJQBSA-N 1 3 303.406 0.616 20 0 DCADHO O[C@H](C[NH2+]Cc1cccc(-n2cncn2)c1)CN1CCCC1 ZINC000629562713 396787678 /nfs/dbraw/zinc/78/76/78/396787678.db2.gz CVCCSFQPMHUTFT-MRXNPFEDSA-N 1 3 301.394 0.814 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331474971 396870685 /nfs/dbraw/zinc/87/06/85/396870685.db2.gz WONDCXVWHZZOHP-QLFBSQMISA-N 1 3 322.453 0.045 20 0 DCADHO O=C(NC[C@@H]1CCCN(CC2=CCCOC2)C1)[C@@H]1CCC[NH2+]1 ZINC000629647425 396814520 /nfs/dbraw/zinc/81/45/20/396814520.db2.gz UOAZRNKQASSKNF-HOCLYGCPSA-N 1 3 307.438 0.913 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CC=CC1 ZINC000625466240 396883092 /nfs/dbraw/zinc/88/30/92/396883092.db2.gz PIRDMIVQTGLMHI-UHFFFAOYSA-N 1 3 310.442 0.021 20 0 DCADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN(C)C1CCC1 ZINC000629955687 396894602 /nfs/dbraw/zinc/89/46/02/396894602.db2.gz JVJQFSOZHQPHHX-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CN(C)C1CCC1 ZINC000629955687 396894604 /nfs/dbraw/zinc/89/46/04/396894604.db2.gz JVJQFSOZHQPHHX-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CCC1 ZINC000629973047 396900361 /nfs/dbraw/zinc/90/03/61/396900361.db2.gz JQZXQEFLLKVSIG-OAHLLOKOSA-N 1 3 322.453 0.236 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1CCC1 ZINC000629973047 396900366 /nfs/dbraw/zinc/90/03/66/396900366.db2.gz JQZXQEFLLKVSIG-OAHLLOKOSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000629976760 396902654 /nfs/dbraw/zinc/90/26/54/396902654.db2.gz BIFWUFZWOFCENZ-RDJZCZTQSA-N 1 3 322.497 0.955 20 0 DCADHO C[NH2+]C1(CNC(=O)c2ccnc(OCCN(C)C)c2)CCC1 ZINC000630001485 396910934 /nfs/dbraw/zinc/91/09/34/396910934.db2.gz AHKUEPAWOINXCN-UHFFFAOYSA-N 1 3 306.410 0.894 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000571980591 397007181 /nfs/dbraw/zinc/00/71/81/397007181.db2.gz UKEIYYZLQNPKHZ-HOTGVXAUSA-N 1 3 301.475 0.732 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000571980591 397007187 /nfs/dbraw/zinc/00/71/87/397007187.db2.gz UKEIYYZLQNPKHZ-HOTGVXAUSA-N 1 3 301.475 0.732 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000347048907 397027980 /nfs/dbraw/zinc/02/79/80/397027980.db2.gz RNBWWEJJCBTWJP-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000347048907 397027983 /nfs/dbraw/zinc/02/79/83/397027983.db2.gz RNBWWEJJCBTWJP-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340830368 396973781 /nfs/dbraw/zinc/97/37/81/396973781.db2.gz RXTNWMXUWGILLD-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340830368 396973787 /nfs/dbraw/zinc/97/37/87/396973787.db2.gz RXTNWMXUWGILLD-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000612543572 397086202 /nfs/dbraw/zinc/08/62/02/397086202.db2.gz QWAATBGLGFIOAF-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000612543572 397086208 /nfs/dbraw/zinc/08/62/08/397086208.db2.gz QWAATBGLGFIOAF-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377577723 397106897 /nfs/dbraw/zinc/10/68/97/397106897.db2.gz WBRZUENQQZWMRE-CWRNSKLLSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377577723 397106901 /nfs/dbraw/zinc/10/69/01/397106901.db2.gz WBRZUENQQZWMRE-CWRNSKLLSA-N 1 3 322.453 0.633 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CCSC1 ZINC000612977867 397169621 /nfs/dbraw/zinc/16/96/21/397169621.db2.gz SSIPSDVZUQALDY-SWLSCSKDSA-N 1 3 312.483 0.865 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612981394 397170788 /nfs/dbraw/zinc/17/07/88/397170788.db2.gz BVSNEQHMNVOYMV-GJZGRUSLSA-N 1 3 323.485 0.454 20 0 DCADHO NC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000573605495 397186464 /nfs/dbraw/zinc/18/64/64/397186464.db2.gz BZMQICOSLMSANJ-LSDHHAIUSA-N 1 3 318.421 0.042 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000573958160 397223449 /nfs/dbraw/zinc/22/34/49/397223449.db2.gz NYTSINMAJBTVTC-LZWOXQAQSA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000626913280 397285455 /nfs/dbraw/zinc/28/54/55/397285455.db2.gz WQWGBNMEDXJOQM-CYBMUJFWSA-N 1 3 320.393 0.044 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592956077 397300865 /nfs/dbraw/zinc/30/08/65/397300865.db2.gz QRGWTYVPIQTHDL-STQMWFEESA-N 1 3 305.426 0.933 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592960687 397304231 /nfs/dbraw/zinc/30/42/31/397304231.db2.gz CJAZXBLBIMWQNO-XUJVJEKNSA-N 1 3 317.437 0.932 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[C@@H]3C[NH3+])C2)CC1 ZINC000592965437 397307049 /nfs/dbraw/zinc/30/70/49/397307049.db2.gz ZPYGCEQEGKYKHW-ZACQAIPSSA-N 1 3 322.497 0.988 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398032463 397313367 /nfs/dbraw/zinc/31/33/67/397313367.db2.gz NWFFWXKBNGMEDD-NVXWUHKLSA-N 1 3 316.449 0.671 20 0 DCADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000577529171 397341114 /nfs/dbraw/zinc/34/11/14/397341114.db2.gz OJIFMWQGPPDJMS-YPMHNXCESA-N 1 3 301.456 0.803 20 0 DCADHO CCOC(=O)CC(C)(C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414753091 397368445 /nfs/dbraw/zinc/36/84/45/397368445.db2.gz DAFAQDDOXUKQHF-ZDUSSCGKSA-N 1 3 313.442 0.847 20 0 DCADHO CCOC(=O)CC(C)(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414753091 397368451 /nfs/dbraw/zinc/36/84/51/397368451.db2.gz DAFAQDDOXUKQHF-ZDUSSCGKSA-N 1 3 313.442 0.847 20 0 DCADHO C[C@H](Cn1cccn1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969404 397368540 /nfs/dbraw/zinc/36/85/40/397368540.db2.gz GOUPBLCLFCEQEH-NEPJUHHUSA-N 1 3 305.348 0.697 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CCN(C2CCC2)C1 ZINC000577999373 397377958 /nfs/dbraw/zinc/37/79/58/397377958.db2.gz PZTMUVKZQQEXII-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419289115 397379834 /nfs/dbraw/zinc/37/98/34/397379834.db2.gz SQGSIKQOLRATIO-CQSZACIVSA-N 1 3 312.458 0.340 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419768655 397382138 /nfs/dbraw/zinc/38/21/38/397382138.db2.gz CYEIUNNANSNPOK-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000577281215 397318752 /nfs/dbraw/zinc/31/87/52/397318752.db2.gz ULTRHJMYTOTONK-NFAWXSAZSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000577281215 397318755 /nfs/dbraw/zinc/31/87/55/397318755.db2.gz ULTRHJMYTOTONK-NFAWXSAZSA-N 1 3 310.442 0.029 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000577382233 397328800 /nfs/dbraw/zinc/32/88/00/397328800.db2.gz HALZBNDZOMBGQK-OAHLLOKOSA-N 1 3 322.453 0.413 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000602397360 397393682 /nfs/dbraw/zinc/39/36/82/397393682.db2.gz HZCJWDQCBPIJDH-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000602397360 397393690 /nfs/dbraw/zinc/39/36/90/397393690.db2.gz HZCJWDQCBPIJDH-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000479293021 397459120 /nfs/dbraw/zinc/45/91/20/397459120.db2.gz GLKWTLYDOKHHNT-LCGIIJARSA-N 1 3 303.406 0.488 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000487475368 397473485 /nfs/dbraw/zinc/47/34/85/397473485.db2.gz OVODMSZADOOOTR-LZWOXQAQSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000487475368 397473490 /nfs/dbraw/zinc/47/34/90/397473490.db2.gz OVODMSZADOOOTR-LZWOXQAQSA-N 1 3 309.454 0.896 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CCN(C)[C@@H](C(C)C)C2)CC1 ZINC000488003262 397482967 /nfs/dbraw/zinc/48/29/67/397482967.db2.gz RFEXEQSXEJIUBR-MRXNPFEDSA-N 1 3 310.486 0.859 20 0 DCADHO CN1CCN(CC2CCN(C(=O)/C=C\C[NH+](C)C)CC2)CC1 ZINC000491893224 397506967 /nfs/dbraw/zinc/50/69/67/397506967.db2.gz OHSCLUIBQWESHM-PLNGDYQASA-N 1 3 308.470 0.590 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])N(C)Cc1ccccc1 ZINC000579734786 397591537 /nfs/dbraw/zinc/59/15/37/397591537.db2.gz NRSBCIQFBATWPQ-CQSZACIVSA-N 1 3 320.437 0.430 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000603782751 397620816 /nfs/dbraw/zinc/62/08/16/397620816.db2.gz IFDGEVHPSSUEIT-CVEARBPZSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000603782751 397620819 /nfs/dbraw/zinc/62/08/19/397620819.db2.gz IFDGEVHPSSUEIT-CVEARBPZSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000603782751 397620823 /nfs/dbraw/zinc/62/08/23/397620823.db2.gz IFDGEVHPSSUEIT-CVEARBPZSA-N 1 3 308.470 0.708 20 0 DCADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)C[NH+]1CCCC1 ZINC000607233554 397699055 /nfs/dbraw/zinc/69/90/55/397699055.db2.gz AMBWDRYDIFGYBI-CQSZACIVSA-N 1 3 312.458 0.474 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000187024215 286061885 /nfs/dbraw/zinc/06/18/85/286061885.db2.gz FYJAQEATFMZHQH-OLZOCXBDSA-N 1 3 314.430 0.169 20 0 DCADHO [NH3+]CCc1nc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cs1 ZINC000091668515 158109768 /nfs/dbraw/zinc/10/97/68/158109768.db2.gz KBKPPLVJOMYITO-MNOVXSKESA-N 1 3 310.423 0.237 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000165304639 158365160 /nfs/dbraw/zinc/36/51/60/158365160.db2.gz JJPAGCAZVSMLAI-UHFFFAOYSA-N 1 3 305.422 0.567 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000165304639 158365161 /nfs/dbraw/zinc/36/51/61/158365161.db2.gz JJPAGCAZVSMLAI-UHFFFAOYSA-N 1 3 305.422 0.567 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170758855 158376041 /nfs/dbraw/zinc/37/60/41/158376041.db2.gz DYZMAINSBNQTSV-LSDHHAIUSA-N 1 3 323.437 0.470 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341025424 159221770 /nfs/dbraw/zinc/22/17/70/159221770.db2.gz WSNDMGHGJIDSRE-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341025424 159221773 /nfs/dbraw/zinc/22/17/73/159221773.db2.gz WSNDMGHGJIDSRE-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000359273620 159260088 /nfs/dbraw/zinc/26/00/88/159260088.db2.gz NHQVTVXNCNRXKH-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000359273620 159260091 /nfs/dbraw/zinc/26/00/91/159260091.db2.gz NHQVTVXNCNRXKH-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)NCC[NH+](C)C ZINC000133525988 287011714 /nfs/dbraw/zinc/01/17/14/287011714.db2.gz YHQZKEAAPPODCB-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C(N)=O)n1 ZINC000133080671 287008886 /nfs/dbraw/zinc/00/88/86/287008886.db2.gz VISIKVXKLNDDLI-UHFFFAOYSA-N 1 3 322.413 0.138 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246578110 287085751 /nfs/dbraw/zinc/08/57/51/287085751.db2.gz WOCIMIHDYCACAO-UONOGXRCSA-N 1 3 300.447 0.546 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246578110 287085753 /nfs/dbraw/zinc/08/57/53/287085753.db2.gz WOCIMIHDYCACAO-UONOGXRCSA-N 1 3 300.447 0.546 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)CC[N@@H+]1C ZINC000354774760 287170283 /nfs/dbraw/zinc/17/02/83/287170283.db2.gz AYBLEFRFRZCGQS-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)CC[N@H+]1C ZINC000354774760 287170286 /nfs/dbraw/zinc/17/02/86/287170286.db2.gz AYBLEFRFRZCGQS-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCN1CCCO ZINC000418342924 287244973 /nfs/dbraw/zinc/24/49/73/287244973.db2.gz JAUCWEJHYMBLIU-GJZGRUSLSA-N 1 3 312.458 0.522 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418378235 287246588 /nfs/dbraw/zinc/24/65/88/287246588.db2.gz AGXFUPKVYIRDCT-KGLIPLIRSA-N 1 3 300.447 0.362 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418539273 287250221 /nfs/dbraw/zinc/25/02/21/287250221.db2.gz FNVJCMZXEPOGHG-KGLIPLIRSA-N 1 3 311.474 0.534 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418942115 287254484 /nfs/dbraw/zinc/25/44/84/287254484.db2.gz ADJFBQJMUQSHDP-CQSZACIVSA-N 1 3 320.437 0.349 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000420337751 287291677 /nfs/dbraw/zinc/29/16/77/287291677.db2.gz KAUANBJRUUMCGD-ZACQAIPSSA-N 1 3 316.449 0.699 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331575862 415137267 /nfs/dbraw/zinc/13/72/67/415137267.db2.gz HPIMLWJGQXFNTI-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331575863 415137723 /nfs/dbraw/zinc/13/77/23/415137723.db2.gz HPIMLWJGQXFNTI-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000331590899 415144463 /nfs/dbraw/zinc/14/44/63/415144463.db2.gz YJYUEZRSYAWGQG-QLFBSQMISA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000331590899 415144469 /nfs/dbraw/zinc/14/44/69/415144469.db2.gz YJYUEZRSYAWGQG-QLFBSQMISA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000269308610 415249865 /nfs/dbraw/zinc/24/98/65/415249865.db2.gz VCUMIKUWNOVCOZ-RDJZCZTQSA-N 1 3 318.465 0.729 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342722221 415269522 /nfs/dbraw/zinc/26/95/22/415269522.db2.gz ATFSLIVSJLBEMY-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422902472 287302438 /nfs/dbraw/zinc/30/24/38/287302438.db2.gz DHJLPWUEIDFZHG-HZPDHXFCSA-N 1 3 304.438 0.947 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000332252774 415315921 /nfs/dbraw/zinc/31/59/21/415315921.db2.gz SRCSJHAHFSCOCY-GBJTYRQASA-N 1 3 322.453 0.267 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000332383867 415372143 /nfs/dbraw/zinc/37/21/43/415372143.db2.gz VOCFFYDKKYKMEV-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343173703 415484463 /nfs/dbraw/zinc/48/44/63/415484463.db2.gz PUZXEAUERSSFIQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343173703 415484471 /nfs/dbraw/zinc/48/44/71/415484471.db2.gz PUZXEAUERSSFIQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000343213264 415507017 /nfs/dbraw/zinc/50/70/17/415507017.db2.gz VLPRRDMBMSVIQV-HUUCEWRRSA-N 1 3 308.470 0.376 20 0 DCADHO C[C@H]1C[C@H](O)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000332963188 415515195 /nfs/dbraw/zinc/51/51/95/415515195.db2.gz CLTYRPHMBQOTJQ-BBRMVZONSA-N 1 3 324.469 0.710 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](C[NH3+])OC)N1CCc2ccccc2C1 ZINC000353424305 415535603 /nfs/dbraw/zinc/53/56/03/415535603.db2.gz FPDONPWSMPNTPK-JKSUJKDBSA-N 1 3 305.422 0.913 20 0 DCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@H](CN)OC)cc1 ZINC000353449177 415544965 /nfs/dbraw/zinc/54/49/65/415544965.db2.gz NPADCZKAFWVSBE-ZNMIVQPWSA-N 1 3 307.394 0.231 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1CCN(CC)CC1 ZINC000353458284 415550073 /nfs/dbraw/zinc/55/00/73/415550073.db2.gz JDJWFWAPSZATFX-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCSC1 ZINC000333414803 415641036 /nfs/dbraw/zinc/64/10/36/415641036.db2.gz RSIOXKQDIZRKMI-XPCVCDNBSA-N 1 3 312.483 0.802 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000333451988 415653913 /nfs/dbraw/zinc/65/39/13/415653913.db2.gz XQPXYAZWEXWZEA-OBJOEFQTSA-N 1 3 300.472 0.802 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[NH2+]1 ZINC000333861559 415751107 /nfs/dbraw/zinc/75/11/07/415751107.db2.gz SFTMZPQBPGGVMR-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[NH2+]1 ZINC000333861560 415752581 /nfs/dbraw/zinc/75/25/81/415752581.db2.gz SFTMZPQBPGGVMR-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343961184 415799218 /nfs/dbraw/zinc/79/92/18/415799218.db2.gz SOGFSSQJODHFAV-SJORKVTESA-N 1 3 320.481 0.567 20 0 DCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343961184 415799222 /nfs/dbraw/zinc/79/92/22/415799222.db2.gz SOGFSSQJODHFAV-SJORKVTESA-N 1 3 320.481 0.567 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000296555850 415932890 /nfs/dbraw/zinc/93/28/90/415932890.db2.gz UWQGAUOSBUTJOY-KGLIPLIRSA-N 1 3 303.410 0.818 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)C[C@H]1CNCCO1 ZINC000166178870 416021795 /nfs/dbraw/zinc/02/17/95/416021795.db2.gz ZQQNUVCOGPZMCF-HNNXBMFYSA-N 1 3 321.421 0.622 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176098823 416120264 /nfs/dbraw/zinc/12/02/64/416120264.db2.gz KSHYDSMAJAXMLO-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000345692172 416134682 /nfs/dbraw/zinc/13/46/82/416134682.db2.gz MOQPVOFDYLHLAY-RYUDHWBXSA-N 1 3 307.385 0.928 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000330127147 416196276 /nfs/dbraw/zinc/19/62/76/416196276.db2.gz DDPBGVQYUJNWJS-OLZOCXBDSA-N 1 3 308.426 0.985 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000330127147 416196278 /nfs/dbraw/zinc/19/62/78/416196278.db2.gz DDPBGVQYUJNWJS-OLZOCXBDSA-N 1 3 308.426 0.985 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)NC1CCN(C)CC1)[NH+]1CCCCC1 ZINC000339637882 416161180 /nfs/dbraw/zinc/16/11/80/416161180.db2.gz WILPFJYXDBLEKL-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN2CCC(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000358531052 416251186 /nfs/dbraw/zinc/25/11/86/416251186.db2.gz UGMUHAQBADNYIO-BFYDXBDKSA-N 1 3 313.486 0.730 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000341981810 416262945 /nfs/dbraw/zinc/26/29/45/416262945.db2.gz KEQQYZBRNGKTQA-CYBMUJFWSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N(C)C1CC1 ZINC000342063238 416276498 /nfs/dbraw/zinc/27/64/98/416276498.db2.gz NTGBGYAGYNNSNC-IPYPFGDCSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N(C)C1CC1 ZINC000342063238 416276502 /nfs/dbraw/zinc/27/65/02/416276502.db2.gz NTGBGYAGYNNSNC-IPYPFGDCSA-N 1 3 324.469 0.384 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000358808488 416277334 /nfs/dbraw/zinc/27/73/34/416277334.db2.gz FZQOKJPZBVJBBR-JKSUJKDBSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000358808488 416277336 /nfs/dbraw/zinc/27/73/36/416277336.db2.gz FZQOKJPZBVJBBR-JKSUJKDBSA-N 1 3 323.485 0.502 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415753011 416353401 /nfs/dbraw/zinc/35/34/01/416353401.db2.gz FRXOXYFVKCEGPN-ZDUSSCGKSA-N 1 3 308.430 0.956 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC000419893118 416414611 /nfs/dbraw/zinc/41/46/11/416414611.db2.gz JVYQRDJBHVHEFC-TUVASFSCSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@H](CNC(=O)NCC1([NH3+])CCC1)N1CCN(C)CC1 ZINC000416942024 416379968 /nfs/dbraw/zinc/37/99/68/416379968.db2.gz AREYTYJKBZZKEJ-AWEZNQCLSA-N 1 3 311.474 0.439 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000417560383 416383299 /nfs/dbraw/zinc/38/32/99/416383299.db2.gz ZRVICSMDEVWJDW-CABCVRRESA-N 1 3 312.458 0.929 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000417560383 416383301 /nfs/dbraw/zinc/38/33/01/416383301.db2.gz ZRVICSMDEVWJDW-CABCVRRESA-N 1 3 312.458 0.929 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417785503 416384395 /nfs/dbraw/zinc/38/43/95/416384395.db2.gz DDOSIPFTEXTXOE-CABCVRRESA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417785503 416384397 /nfs/dbraw/zinc/38/43/97/416384397.db2.gz DDOSIPFTEXTXOE-CABCVRRESA-N 1 3 310.442 0.539 20 0 DCADHO COC[C@@]1(CNC(=O)NCc2ccc3c(c2)CNC3)CCC[NH2+]1 ZINC000418552444 416387471 /nfs/dbraw/zinc/38/74/71/416387471.db2.gz KXFLOGRJQVOIAW-KRWDZBQOSA-N 1 3 318.421 0.858 20 0 DCADHO CCCN(C(=O)C(=O)NCCN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000419415647 416401350 /nfs/dbraw/zinc/40/13/50/416401350.db2.gz VNTRONSAMCKWCL-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419772757 416410115 /nfs/dbraw/zinc/41/01/15/416410115.db2.gz ZDLAQCXBTKQQLG-KBPBESRZSA-N 1 3 312.458 0.278 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419777028 416411008 /nfs/dbraw/zinc/41/10/08/416411008.db2.gz MMDBXOKUVHMZCX-OLZOCXBDSA-N 1 3 310.442 0.077 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419781525 416411084 /nfs/dbraw/zinc/41/10/84/416411084.db2.gz SGXOUVQAOZDMRY-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458545625 416479075 /nfs/dbraw/zinc/47/90/75/416479075.db2.gz GQHZWRURUXQHSY-FMKPAKJESA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458545625 416479079 /nfs/dbraw/zinc/47/90/79/416479079.db2.gz GQHZWRURUXQHSY-FMKPAKJESA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1=CC[N@H+](C)CC1 ZINC000458636920 416487949 /nfs/dbraw/zinc/48/79/49/416487949.db2.gz RZWLZLXMTQZYFH-GDBMZVCRSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1=CC[N@@H+](C)CC1 ZINC000458636920 416487954 /nfs/dbraw/zinc/48/79/54/416487954.db2.gz RZWLZLXMTQZYFH-GDBMZVCRSA-N 1 3 324.469 0.783 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422324521 416426536 /nfs/dbraw/zinc/42/65/36/416426536.db2.gz WVKBKZNGBCZFMD-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000423599991 416524618 /nfs/dbraw/zinc/52/46/18/416524618.db2.gz XSLNXUBBQABQMX-CYBMUJFWSA-N 1 3 312.458 0.371 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423626906 416531537 /nfs/dbraw/zinc/53/15/37/416531537.db2.gz TUDZUMUIWDUDPV-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000423626906 416531542 /nfs/dbraw/zinc/53/15/42/416531542.db2.gz TUDZUMUIWDUDPV-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CCCN(C(=O)C(=O)N(C)CC1(N(C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000423636430 416531882 /nfs/dbraw/zinc/53/18/82/416531882.db2.gz BDWOUMBGHPDZNP-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423641212 416534032 /nfs/dbraw/zinc/53/40/32/416534032.db2.gz HLQWMCIBNMSRIL-KGLIPLIRSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423676219 416538029 /nfs/dbraw/zinc/53/80/29/416538029.db2.gz BQMKLVAXASVUET-ZIAGYGMSSA-N 1 3 324.469 0.657 20 0 DCADHO CCN1CCN(C(=O)CC2CCN(CCC[NH2+]C)CC2)CC1 ZINC000435872493 416539298 /nfs/dbraw/zinc/53/92/98/416539298.db2.gz OXZPBIVNOVUVKC-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423703233 416544224 /nfs/dbraw/zinc/54/42/24/416544224.db2.gz BOUYYVODYUBKST-UHFFFAOYSA-N 1 3 324.425 0.238 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCN1CCOCC1 ZINC000436053290 416545832 /nfs/dbraw/zinc/54/58/32/416545832.db2.gz FHOJXFKFXFMOOE-HNNXBMFYSA-N 1 3 312.458 0.028 20 0 DCADHO CN(C)CCOCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458701642 416492096 /nfs/dbraw/zinc/49/20/96/416492096.db2.gz UWDQRQDRSIVBFU-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)CCOCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458701642 416492101 /nfs/dbraw/zinc/49/21/01/416492101.db2.gz UWDQRQDRSIVBFU-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CC1(C(=O)NCc2ccccc2CN2CCC(O)CC2)C[NH2+]C1 ZINC000423449359 416512964 /nfs/dbraw/zinc/51/29/64/416512964.db2.gz WFGNSRSFGIBLTL-UHFFFAOYSA-N 1 3 317.433 0.869 20 0 DCADHO O=C(C[C@@H]1CNCCO1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000584349350 416514074 /nfs/dbraw/zinc/51/40/74/416514074.db2.gz PQQHZLUOLAJADV-MRXNPFEDSA-N 1 3 318.421 0.793 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423511073 416518978 /nfs/dbraw/zinc/51/89/78/416518978.db2.gz AFMYZWONWCOEIM-AWEZNQCLSA-N 1 3 312.458 0.371 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424141781 416616202 /nfs/dbraw/zinc/61/62/02/416616202.db2.gz XJCMAPKXTBJSKL-ZIAGYGMSSA-N 1 3 320.441 0.616 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCSC1 ZINC000424460310 416649218 /nfs/dbraw/zinc/64/92/18/416649218.db2.gz JEIKFSLKOVRUSA-BZPMIXESSA-N 1 3 300.472 0.993 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000609291427 416653222 /nfs/dbraw/zinc/65/32/22/416653222.db2.gz UHUGFNBZIKUUNM-HOTGVXAUSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC000609291427 416653226 /nfs/dbraw/zinc/65/32/26/416653226.db2.gz UHUGFNBZIKUUNM-HOTGVXAUSA-N 1 3 323.485 0.502 20 0 DCADHO CN1CCN(C(=O)NCCCCC[NH+]2CCCC2)[C@@H](CN)C1 ZINC000514591543 416664660 /nfs/dbraw/zinc/66/46/60/416664660.db2.gz KINCACDVXXNLSP-HNNXBMFYSA-N 1 3 311.474 0.537 20 0 DCADHO Cc1nccn1CCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000441318774 416667535 /nfs/dbraw/zinc/66/75/35/416667535.db2.gz QSRHUKXBWVSFOV-UHFFFAOYSA-N 1 3 319.453 0.822 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425675109 416718728 /nfs/dbraw/zinc/71/87/28/416718728.db2.gz FDYRSCJJDHNSGH-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425675109 416718730 /nfs/dbraw/zinc/71/87/30/416718730.db2.gz FDYRSCJJDHNSGH-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000557137712 416725045 /nfs/dbraw/zinc/72/50/45/416725045.db2.gz DGAAWVRNSWIVEF-CVEARBPZSA-N 1 3 319.453 0.574 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426340430 416760102 /nfs/dbraw/zinc/76/01/02/416760102.db2.gz QQAYEXROISWXMW-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426340430 416760109 /nfs/dbraw/zinc/76/01/09/416760109.db2.gz QQAYEXROISWXMW-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000631859652 416768214 /nfs/dbraw/zinc/76/82/14/416768214.db2.gz BVPKXJYJMGGCQV-FVQBIDKESA-N 1 3 304.438 0.827 20 0 DCADHO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)CCCN1CCCC1 ZINC000631903701 416787368 /nfs/dbraw/zinc/78/73/68/416787368.db2.gz RPDNYFUKMMEZLC-AWEZNQCLSA-N 1 3 303.472 0.876 20 0 DCADHO CN1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](CN)C1 ZINC000517225119 416789364 /nfs/dbraw/zinc/78/93/64/416789364.db2.gz DGEHGGGUTHCDTH-CQSZACIVSA-N 1 3 311.474 0.393 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000631943429 416822457 /nfs/dbraw/zinc/82/24/57/416822457.db2.gz WLEQXJJPAGCODT-UONOGXRCSA-N 1 3 303.472 0.874 20 0 DCADHO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C(F)F ZINC000518531876 416861631 /nfs/dbraw/zinc/86/16/31/416861631.db2.gz GCUJELFWKVETJL-VXGBXAGGSA-N 1 3 305.369 0.729 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623710076 416874248 /nfs/dbraw/zinc/87/42/48/416874248.db2.gz SZKLXNWITTZDSO-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623710076 416874255 /nfs/dbraw/zinc/87/42/55/416874255.db2.gz SZKLXNWITTZDSO-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@@H]1CCN(CCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632056869 416887507 /nfs/dbraw/zinc/88/75/07/416887507.db2.gz MCUKNNQSAFDQRI-CQSZACIVSA-N 1 3 303.472 0.734 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369777644 416827491 /nfs/dbraw/zinc/82/74/91/416827491.db2.gz LBMWTNUXUNEKRU-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369777644 416827500 /nfs/dbraw/zinc/82/75/00/416827500.db2.gz LBMWTNUXUNEKRU-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO COC(=O)Cn1cc(CCN2CCC(C[NH+](C)C)CC2)nn1 ZINC000446767206 416945365 /nfs/dbraw/zinc/94/53/65/416945365.db2.gz KEGJKTJOOALYPT-UHFFFAOYSA-N 1 3 309.414 0.267 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)CCC[NH2+]1 ZINC000521591177 417020682 /nfs/dbraw/zinc/02/06/82/417020682.db2.gz QIGBIELNWHYVNC-JKSUJKDBSA-N 1 3 310.442 0.492 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785662 417095958 /nfs/dbraw/zinc/09/59/58/417095958.db2.gz CDVWDAXGKXQQFO-SOUVJXGZSA-N 1 3 322.453 0.221 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000431018239 417099472 /nfs/dbraw/zinc/09/94/72/417099472.db2.gz FKNHOWMBVDNOAN-HNNXBMFYSA-N 1 3 310.486 0.895 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785739 417101043 /nfs/dbraw/zinc/10/10/43/417101043.db2.gz GHBNMQHZMDLRKL-CFVMTHIKSA-N 1 3 322.453 0.315 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000642247046 417037168 /nfs/dbraw/zinc/03/71/68/417037168.db2.gz HDCSOKHGYUJUPK-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642330382 417044331 /nfs/dbraw/zinc/04/43/31/417044331.db2.gz CNHBDGKYAXSVEA-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430600506 417050570 /nfs/dbraw/zinc/05/05/70/417050570.db2.gz SAZFPVQOHQTCJX-ZIAGYGMSSA-N 1 3 308.470 0.789 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000642439859 417056448 /nfs/dbraw/zinc/05/64/48/417056448.db2.gz PRBMOTLVCOEKGH-RHSMWYFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000430708311 417061351 /nfs/dbraw/zinc/06/13/51/417061351.db2.gz IOXWLQADYXVNJT-UHFFFAOYSA-N 1 3 320.437 0.579 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000448262259 417065526 /nfs/dbraw/zinc/06/55/26/417065526.db2.gz WGJNWBAKOXPOMV-CQSZACIVSA-N 1 3 314.474 0.984 20 0 DCADHO Cc1c(C(=O)N2CCC[C@H](N(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000430885161 417075436 /nfs/dbraw/zinc/07/54/36/417075436.db2.gz ZYKXYAIBIVOCHK-AWEZNQCLSA-N 1 3 320.441 0.677 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC[C@H]1[NH3+] ZINC000642733414 417084918 /nfs/dbraw/zinc/08/49/18/417084918.db2.gz MITDUEJEEPWODH-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000637379533 417085737 /nfs/dbraw/zinc/08/57/37/417085737.db2.gz GSQCZVMTYUZPKJ-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC000568169565 417087616 /nfs/dbraw/zinc/08/76/16/417087616.db2.gz NTGALDVXYKEBQX-ILXRZTDVSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC000568169565 417087623 /nfs/dbraw/zinc/08/76/23/417087623.db2.gz NTGALDVXYKEBQX-ILXRZTDVSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000642755921 417089555 /nfs/dbraw/zinc/08/95/55/417089555.db2.gz ZUWZATKSUPJHCO-MGPQQGTHSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642773336 417094472 /nfs/dbraw/zinc/09/44/72/417094472.db2.gz REBWCTAOWASDPA-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000642919061 417124407 /nfs/dbraw/zinc/12/44/07/417124407.db2.gz MYHDHCHYQZQOLE-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000430730396 287351538 /nfs/dbraw/zinc/35/15/38/287351538.db2.gz IWZPXJBUZLKADC-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000642982051 417135651 /nfs/dbraw/zinc/13/56/51/417135651.db2.gz OQVPFLPEGNKLPR-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000642941725 417130501 /nfs/dbraw/zinc/13/05/01/417130501.db2.gz JCDPCYSKUJWYCT-UONOGXRCSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CCN(C)C2CCCC2)C[C@@H](C)O1 ZINC000568857826 417183168 /nfs/dbraw/zinc/18/31/68/417183168.db2.gz RCYMBDLMUAWXJH-BFYDXBDKSA-N 1 3 313.486 0.921 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000637804088 417187767 /nfs/dbraw/zinc/18/77/67/417187767.db2.gz LSMCWSJMHDMUCC-MRXNPFEDSA-N 1 3 304.438 0.643 20 0 DCADHO CN(C)CCn1c2cc(C(=O)N[C@H]3CC[NH2+]C3)ccc2[nH]c1=O ZINC000637810745 417191704 /nfs/dbraw/zinc/19/17/04/417191704.db2.gz GIIIDJRTSDHJMQ-LBPRGKRZSA-N 1 3 317.393 0.395 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637814979 417195088 /nfs/dbraw/zinc/19/50/88/417195088.db2.gz CMJVUPVYPNVVOX-HOTGVXAUSA-N 1 3 304.438 0.704 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000637824725 417198874 /nfs/dbraw/zinc/19/88/74/417198874.db2.gz PXRWZLZMBZFWOV-HOTGVXAUSA-N 1 3 304.438 0.656 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000637823428 417198995 /nfs/dbraw/zinc/19/89/95/417198995.db2.gz HCXVHJOFOQMCJI-CYBMUJFWSA-N 1 3 303.410 0.772 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000637823428 417199001 /nfs/dbraw/zinc/19/90/01/417199001.db2.gz HCXVHJOFOQMCJI-CYBMUJFWSA-N 1 3 303.410 0.772 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000527063617 417209284 /nfs/dbraw/zinc/20/92/84/417209284.db2.gz KHTRQGJBGHZXGG-KGLIPLIRSA-N 1 3 312.458 0.230 20 0 DCADHO CN1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000637863412 417209472 /nfs/dbraw/zinc/20/94/72/417209472.db2.gz BJUPAFWDJKZSOP-IAGOWNOFSA-N 1 3 316.449 0.610 20 0 DCADHO CN1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000637863412 417209479 /nfs/dbraw/zinc/20/94/79/417209479.db2.gz BJUPAFWDJKZSOP-IAGOWNOFSA-N 1 3 316.449 0.610 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000637863235 417210191 /nfs/dbraw/zinc/21/01/91/417210191.db2.gz WHFJPAJMVLMWET-HNNXBMFYSA-N 1 3 306.454 0.889 20 0 DCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000643494613 417224628 /nfs/dbraw/zinc/22/46/28/417224628.db2.gz MUNRQRSXFWFVDP-HUUCEWRRSA-N 1 3 322.453 0.271 20 0 DCADHO CCN1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@@H](C)C1 ZINC000414182951 417268101 /nfs/dbraw/zinc/26/81/01/417268101.db2.gz DOKAUTVKIMKTRO-IRXDYDNUSA-N 1 3 324.513 0.713 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000569691820 417283040 /nfs/dbraw/zinc/28/30/40/417283040.db2.gz HMOFSSWHEMSTSO-UONOGXRCSA-N 1 3 320.441 0.954 20 0 DCADHO COC[C@]1(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)CCCN1 ZINC000632869926 417283445 /nfs/dbraw/zinc/28/34/45/417283445.db2.gz SKEWBAQTCWEUMI-GUYCJALGSA-N 1 3 303.406 0.919 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000627111896 417234097 /nfs/dbraw/zinc/23/40/97/417234097.db2.gz FZRBLUZFYRDIJS-MRXNPFEDSA-N 1 3 317.437 0.955 20 0 DCADHO [NH3+]C1(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000627112808 417236340 /nfs/dbraw/zinc/23/63/40/417236340.db2.gz OSSQONLRHSQQFO-UONOGXRCSA-N 1 3 310.442 0.810 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433164631 417238926 /nfs/dbraw/zinc/23/89/26/417238926.db2.gz SGCGUINKLMQZLI-AWEZNQCLSA-N 1 3 312.458 0.230 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000569333267 417239678 /nfs/dbraw/zinc/23/96/78/417239678.db2.gz DBSQBZFZEFTOEH-OAHLLOKOSA-N 1 3 311.474 0.391 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627117889 417240407 /nfs/dbraw/zinc/24/04/07/417240407.db2.gz YHFFNKOVLBCANJ-SNPRPXQTSA-N 1 3 310.442 0.679 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000643552853 417243594 /nfs/dbraw/zinc/24/35/94/417243594.db2.gz RQGWOYGEBMNBJD-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000638152787 417357665 /nfs/dbraw/zinc/35/76/65/417357665.db2.gz RAFPJNQDCHDSIH-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000638072266 417311395 /nfs/dbraw/zinc/31/13/95/417311395.db2.gz LSIWCHMUMIKFMH-HOTGVXAUSA-N 1 3 304.438 0.514 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000638072266 417311401 /nfs/dbraw/zinc/31/14/01/417311401.db2.gz LSIWCHMUMIKFMH-HOTGVXAUSA-N 1 3 304.438 0.514 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621843740 417319745 /nfs/dbraw/zinc/31/97/45/417319745.db2.gz KRPNGPRHDNLPBR-CPUCHLNUSA-N 1 3 322.453 0.174 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638085820 417320100 /nfs/dbraw/zinc/32/01/00/417320100.db2.gz TYBQIUYQVJXJRB-DZGCQCFKSA-N 1 3 307.394 0.359 20 0 DCADHO C[C@H](CC(=O)N(C)C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414985007 417321038 /nfs/dbraw/zinc/32/10/38/417321038.db2.gz MPGWUFLLGPDQIT-GHMZBOCLSA-N 1 3 310.364 0.279 20 0 DCADHO O=C(CN1CCNCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638126231 417342715 /nfs/dbraw/zinc/34/27/15/417342715.db2.gz RZCXSCPRMWGIQC-UHFFFAOYSA-N 1 3 308.470 0.805 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000638232019 417386290 /nfs/dbraw/zinc/38/62/90/417386290.db2.gz RXFPYYCYKJMQKI-IIAWOOMASA-N 1 3 315.458 0.474 20 0 DCADHO C[C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CN1C1CC1 ZINC000570813922 417394250 /nfs/dbraw/zinc/39/42/50/417394250.db2.gz LEHVUMRLZJHVJA-STQMWFEESA-N 1 3 305.426 0.800 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638256670 417394744 /nfs/dbraw/zinc/39/47/44/417394744.db2.gz QLKDAGOJCGLTOS-GFCCVEGCSA-N 1 3 319.409 0.771 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CN1C1CC1 ZINC000570813919 417395259 /nfs/dbraw/zinc/39/52/59/417395259.db2.gz LEHVUMRLZJHVJA-CHWSQXEVSA-N 1 3 305.426 0.800 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638287748 417410439 /nfs/dbraw/zinc/41/04/39/417410439.db2.gz XDYYLERYHKLION-SLBVQIDZSA-N 1 3 303.406 0.739 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000638293817 417412006 /nfs/dbraw/zinc/41/20/06/417412006.db2.gz SBTPTNKUDHTYOD-UKRRQHHQSA-N 1 3 312.458 0.914 20 0 DCADHO C[N@H+](CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)CC(C)(C)C ZINC000638344772 417427578 /nfs/dbraw/zinc/42/75/78/417427578.db2.gz XYQUJBKSZLLVJG-CQSZACIVSA-N 1 3 322.457 0.878 20 0 DCADHO C[N@@H+](CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)CC(C)(C)C ZINC000638344772 417427584 /nfs/dbraw/zinc/42/75/84/417427584.db2.gz XYQUJBKSZLLVJG-CQSZACIVSA-N 1 3 322.457 0.878 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622025190 417371154 /nfs/dbraw/zinc/37/11/54/417371154.db2.gz MDYIVDLUBGNLSD-YOEHRIQHSA-N 1 3 324.469 0.372 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415372817 417374650 /nfs/dbraw/zinc/37/46/50/417374650.db2.gz GVYQJIVFUYXIHO-AWEZNQCLSA-N 1 3 318.421 0.597 20 0 DCADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)ccc1CN(C)C ZINC000415376753 417376152 /nfs/dbraw/zinc/37/61/52/417376152.db2.gz LLQWPPFPSSWGFE-OAHLLOKOSA-N 1 3 318.421 0.863 20 0 DCADHO O[C@@H]1CCN(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634723012 417536944 /nfs/dbraw/zinc/53/69/44/417536944.db2.gz YKDTVXYNWUYEHC-QZTJIDSGSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@@H]1CCN(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634723012 417536950 /nfs/dbraw/zinc/53/69/50/417536950.db2.gz YKDTVXYNWUYEHC-QZTJIDSGSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@@H]1CCN(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634723012 417536956 /nfs/dbraw/zinc/53/69/56/417536956.db2.gz YKDTVXYNWUYEHC-QZTJIDSGSA-N 1 3 319.449 0.280 20 0 DCADHO C[C@@H]1CN(CCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000530242131 417557998 /nfs/dbraw/zinc/55/79/98/417557998.db2.gz MLUPXVKEXWYRJD-WBVHZDCISA-N 1 3 311.470 0.798 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)C[C@H](C)O1 ZINC000576148931 417583478 /nfs/dbraw/zinc/58/34/78/417583478.db2.gz BFPISXJBCQXFTD-QSJFSLAZSA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000576148931 417583481 /nfs/dbraw/zinc/58/34/81/417583481.db2.gz BFPISXJBCQXFTD-QSJFSLAZSA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000576148931 417583487 /nfs/dbraw/zinc/58/34/87/417583487.db2.gz BFPISXJBCQXFTD-QSJFSLAZSA-N 1 3 311.470 0.530 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)Nc2cc(N3CCNCC3)ccn2)C1 ZINC000638984638 417595593 /nfs/dbraw/zinc/59/55/93/417595593.db2.gz YAHNGNXEHKNKSX-CYBMUJFWSA-N 1 3 303.410 0.772 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)Nc2cc(N3CCNCC3)ccn2)C1 ZINC000638984638 417595598 /nfs/dbraw/zinc/59/55/98/417595598.db2.gz YAHNGNXEHKNKSX-CYBMUJFWSA-N 1 3 303.410 0.772 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1CC12CC[NH2+]CC2 ZINC000638983493 417597808 /nfs/dbraw/zinc/59/78/08/417597808.db2.gz AYXWCSJEFOAMAM-CQSZACIVSA-N 1 3 315.421 0.819 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCN1CCCOCC1 ZINC000644628549 417632521 /nfs/dbraw/zinc/63/25/21/417632521.db2.gz ZBGAQPCJRDIGOM-SFHVURJKSA-N 1 3 321.465 0.791 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCN1CCCOCC1 ZINC000644628549 417632525 /nfs/dbraw/zinc/63/25/25/417632525.db2.gz ZBGAQPCJRDIGOM-SFHVURJKSA-N 1 3 321.465 0.791 20 0 DCADHO CO[C@@]1(C[NH+]2CCC(CN3CCN(C)CC3)CC2)CCOC1 ZINC000639171209 417633483 /nfs/dbraw/zinc/63/34/83/417633483.db2.gz UVUHGBKJASOINW-QGZVFWFLSA-N 1 3 311.470 0.751 20 0 DCADHO C[C@@H](Cn1cncn1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000639205904 417638706 /nfs/dbraw/zinc/63/87/06/417638706.db2.gz LNVVADJNJUIDAW-AWEZNQCLSA-N 1 3 308.430 0.248 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000531879816 417647266 /nfs/dbraw/zinc/64/72/66/417647266.db2.gz DYKHUUWSBUDCRX-CQSZACIVSA-N 1 3 324.469 0.758 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCC1 ZINC000576929185 417647739 /nfs/dbraw/zinc/64/77/39/417647739.db2.gz ADQRZHFACBBFJP-UHFFFAOYSA-N 1 3 322.453 0.461 20 0 DCADHO CN(CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000532010696 417653452 /nfs/dbraw/zinc/65/34/52/417653452.db2.gz IYCAOQUUERDCMR-HOTGVXAUSA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1CCN(CC[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000532139200 417661830 /nfs/dbraw/zinc/66/18/30/417661830.db2.gz ZZWZHZVYVWQWAH-OAHLLOKOSA-N 1 3 318.469 0.660 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000635485928 417676098 /nfs/dbraw/zinc/67/60/98/417676098.db2.gz HYWHWULYGSVEGF-HIFRSBDPSA-N 1 3 322.453 0.269 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000635485928 417676105 /nfs/dbraw/zinc/67/61/05/417676105.db2.gz HYWHWULYGSVEGF-HIFRSBDPSA-N 1 3 322.453 0.269 20 0 DCADHO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCN1C1CCCC1 ZINC000635580989 417710739 /nfs/dbraw/zinc/71/07/39/417710739.db2.gz OOCLTXZWXGUSIB-MRXNPFEDSA-N 1 3 309.454 0.966 20 0 DCADHO COCCN(C)CCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458243755 417730848 /nfs/dbraw/zinc/73/08/48/417730848.db2.gz SHDJWFYIJIMUPI-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO COCCN(C)CCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458243755 417730853 /nfs/dbraw/zinc/73/08/53/417730853.db2.gz SHDJWFYIJIMUPI-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000662622109 417824604 /nfs/dbraw/zinc/82/46/04/417824604.db2.gz ORHXBFSSKHJISE-LBPRGKRZSA-N 1 3 308.430 0.620 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000645953463 417830406 /nfs/dbraw/zinc/83/04/06/417830406.db2.gz UVJKQYIZSSZGQR-ZIAGYGMSSA-N 1 3 318.425 0.417 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000645953461 417831581 /nfs/dbraw/zinc/83/15/81/417831581.db2.gz UVJKQYIZSSZGQR-KGLIPLIRSA-N 1 3 318.425 0.417 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)COCC[NH3+])ccc2oc1=O ZINC000645800582 417797032 /nfs/dbraw/zinc/79/70/32/417797032.db2.gz ZGYBMLCVDVREAD-UHFFFAOYSA-N 1 3 322.365 0.070 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000662539841 417799671 /nfs/dbraw/zinc/79/96/71/417799671.db2.gz LROZYIQZXJVUBH-IJLUTSLNSA-N 1 3 303.410 0.842 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3coc(CN)c3)C2)CC1 ZINC000645977552 417839212 /nfs/dbraw/zinc/83/92/12/417839212.db2.gz HBCYHBQKSXOMOB-CYBMUJFWSA-N 1 3 306.410 0.637 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc(CN)c3)C2)CC1 ZINC000645977552 417839215 /nfs/dbraw/zinc/83/92/15/417839215.db2.gz HBCYHBQKSXOMOB-CYBMUJFWSA-N 1 3 306.410 0.637 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3coc(CN)c3)C2)CC1 ZINC000645977552 417839220 /nfs/dbraw/zinc/83/92/20/417839220.db2.gz HBCYHBQKSXOMOB-CYBMUJFWSA-N 1 3 306.410 0.637 20 0 DCADHO CC1(C)CN[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662614325 417821049 /nfs/dbraw/zinc/82/10/49/417821049.db2.gz PXIRLPVSJMBXDI-HNNXBMFYSA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000646011962 417847219 /nfs/dbraw/zinc/84/72/19/417847219.db2.gz CPMNULNVDCMVBG-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662686254 417852951 /nfs/dbraw/zinc/85/29/51/417852951.db2.gz LCQOXBIXDQVXEJ-HUUCEWRRSA-N 1 3 305.378 0.665 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000662703478 417860538 /nfs/dbraw/zinc/86/05/38/417860538.db2.gz KHAQPTQYJMAGCY-QWHCGFSZSA-N 1 3 306.414 0.417 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662703191 417862084 /nfs/dbraw/zinc/86/20/84/417862084.db2.gz QDWRAJOLJQUECW-GDBMZVCRSA-N 1 3 321.421 0.607 20 0 DCADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)N(C)C1CC1 ZINC000662714110 417867855 /nfs/dbraw/zinc/86/78/55/417867855.db2.gz WLXMBJRCHMYJPI-OCCSQVGLSA-N 1 3 320.441 0.805 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2NCC2(C)C)CC1 ZINC000662742924 417883397 /nfs/dbraw/zinc/88/33/97/417883397.db2.gz IBIPZRGKTWAOEC-AWEZNQCLSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636160320 417886296 /nfs/dbraw/zinc/88/62/96/417886296.db2.gz CYEZGIQCSXWSCY-BFHYXJOUSA-N 1 3 307.442 0.901 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000662750841 417887873 /nfs/dbraw/zinc/88/78/73/417887873.db2.gz UFYJRAVFLCQOHN-LBPRGKRZSA-N 1 3 315.377 0.217 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)C1 ZINC000652345851 417888247 /nfs/dbraw/zinc/88/82/47/417888247.db2.gz NSENVJVDQMGUJW-KFWWJZLASA-N 1 3 311.426 0.064 20 0 DCADHO CNS(=O)(=O)CCCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363067 417893101 /nfs/dbraw/zinc/89/31/01/417893101.db2.gz XFVWNVGVTRPXTA-MCIONIFRSA-N 1 3 319.471 0.287 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000646002836 417845790 /nfs/dbraw/zinc/84/57/90/417845790.db2.gz HAYRUWHRQMWBOK-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(N)C(F)(F)F)CC2)C1 ZINC000646002891 417846366 /nfs/dbraw/zinc/84/63/66/417846366.db2.gz ILWWIQFNWGSONW-QWRGUYRKSA-N 1 3 308.348 0.114 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(N)C(F)(F)F)CC2)C1 ZINC000646002891 417846373 /nfs/dbraw/zinc/84/63/73/417846373.db2.gz ILWWIQFNWGSONW-QWRGUYRKSA-N 1 3 308.348 0.114 20 0 DCADHO C[C@H](C[NH3+])C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016765 417976904 /nfs/dbraw/zinc/97/69/04/417976904.db2.gz FPABWKTTWJYSDL-OLZOCXBDSA-N 1 3 320.441 0.120 20 0 DCADHO CC(C)N1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662821165 417916460 /nfs/dbraw/zinc/91/64/60/417916460.db2.gz FHSSVYXEHOBHRR-UHFFFAOYSA-N 1 3 320.441 0.759 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C3(NC4CC4)CCC3)C[C@H]2[NH3+])cn1 ZINC000662820499 417917185 /nfs/dbraw/zinc/91/71/85/417917185.db2.gz UFNLWDKOBKQQHO-UONOGXRCSA-N 1 3 303.410 0.348 20 0 DCADHO [NH3+]CCCOC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000646831858 417924307 /nfs/dbraw/zinc/92/43/07/417924307.db2.gz BXIFLSQCFGBLLL-GFCCVEGCSA-N 1 3 301.456 0.438 20 0 DCADHO CC1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C[NH2+]C1 ZINC000662858281 417928287 /nfs/dbraw/zinc/92/82/87/417928287.db2.gz GCGUANZOFYDXJF-HNNXBMFYSA-N 1 3 303.406 0.479 20 0 DCADHO CN(C(=O)[C@H]1CSCN1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899776 417942176 /nfs/dbraw/zinc/94/21/76/417942176.db2.gz GRGFEOHTRUSSFT-UONOGXRCSA-N 1 3 312.483 0.276 20 0 DCADHO CCN(CCNC(=O)C(=O)NCCC1CC[NH2+]CC1)C1CC1 ZINC000652684254 417943912 /nfs/dbraw/zinc/94/39/12/417943912.db2.gz JBLTWINMEUGPKR-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000662924984 417953777 /nfs/dbraw/zinc/95/37/77/417953777.db2.gz CRULPZYSJZFHKX-ZDUSSCGKSA-N 1 3 310.442 0.269 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)NCc2ccc3c(c2)CNC3)nn1 ZINC000646989943 417967347 /nfs/dbraw/zinc/96/73/47/417967347.db2.gz AXFCIENPQGROSV-UHFFFAOYSA-N 1 3 314.393 0.550 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658626207 418001888 /nfs/dbraw/zinc/00/18/88/418001888.db2.gz MLHRBJNPSATGIU-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658626207 418001891 /nfs/dbraw/zinc/00/18/91/418001891.db2.gz MLHRBJNPSATGIU-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663484507 418023302 /nfs/dbraw/zinc/02/33/02/418023302.db2.gz ZZERIYUCYRYEPT-QWHCGFSZSA-N 1 3 315.462 0.082 20 0 DCADHO CCNC(=O)[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663484507 418023304 /nfs/dbraw/zinc/02/33/04/418023304.db2.gz ZZERIYUCYRYEPT-QWHCGFSZSA-N 1 3 315.462 0.082 20 0 DCADHO CC1CCC(N2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)CC1 ZINC000653120510 418031095 /nfs/dbraw/zinc/03/10/95/418031095.db2.gz RRCDXTSCUPBYNH-UYSNPLJNSA-N 1 3 310.486 0.988 20 0 DCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653139951 418035764 /nfs/dbraw/zinc/03/57/64/418035764.db2.gz CDBLGOKXYQCTRM-INIZCTEOSA-N 1 3 324.444 0.995 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000663628785 418040511 /nfs/dbraw/zinc/04/05/11/418040511.db2.gz MIMGGPRXRNATRA-KBXIAJHMSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000663628785 418040514 /nfs/dbraw/zinc/04/05/14/418040514.db2.gz MIMGGPRXRNATRA-KBXIAJHMSA-N 1 3 312.458 0.566 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@@H]1O ZINC000663678272 418045855 /nfs/dbraw/zinc/04/58/55/418045855.db2.gz KZPKFCIHSAYGCX-HOTGVXAUSA-N 1 3 320.437 0.565 20 0 DCADHO [NH3+]CCCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659513541 418109560 /nfs/dbraw/zinc/10/95/60/418109560.db2.gz WFZJPGQDGJNCRB-HNNXBMFYSA-N 1 3 306.410 0.401 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659522586 418110795 /nfs/dbraw/zinc/11/07/95/418110795.db2.gz NDOOYVBMYGLILG-UHFFFAOYSA-N 1 3 315.462 0.165 20 0 DCADHO CC1(OCC(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CNC1 ZINC000648178038 418114855 /nfs/dbraw/zinc/11/48/55/418114855.db2.gz LJHWVNQANJKORS-ZIAGYGMSSA-N 1 3 311.426 0.110 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN(C2CC2)C2CC[NH2+]CC2)C1 ZINC000647815109 418057491 /nfs/dbraw/zinc/05/74/91/418057491.db2.gz PGWWLKKXSAYAQP-ZDUSSCGKSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)[NH+](C)C ZINC000659094693 418058097 /nfs/dbraw/zinc/05/80/97/418058097.db2.gz PCAWFESTVZPBOY-LBPRGKRZSA-N 1 3 318.421 0.727 20 0 DCADHO CN(CCOCCOc1ccccc1)CCN1CC[NH2+]CC1 ZINC000647835759 418060182 /nfs/dbraw/zinc/06/01/82/418060182.db2.gz NACARSAPPFFBCN-UHFFFAOYSA-N 1 3 307.438 0.919 20 0 DCADHO O=C(CCOC1CNC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659348945 418085439 /nfs/dbraw/zinc/08/54/39/418085439.db2.gz SBVJOTHRZWGFGF-HZPDHXFCSA-N 1 3 303.406 0.627 20 0 DCADHO CC1(OCC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C[NH2+]C1 ZINC000659370918 418087194 /nfs/dbraw/zinc/08/71/94/418087194.db2.gz YCJGOBWUKQAJBC-CQSZACIVSA-N 1 3 305.378 0.665 20 0 DCADHO CN(C)CCC[N@H+](C)CCNc1ncnc(-n2cccn2)c1N ZINC000664247704 418102702 /nfs/dbraw/zinc/10/27/02/418102702.db2.gz FDFSJQAVYUKBIR-UHFFFAOYSA-N 1 3 318.429 0.540 20 0 DCADHO CN(C)CCC[N@@H+](C)CCNc1ncnc(-n2cccn2)c1N ZINC000664247704 418102703 /nfs/dbraw/zinc/10/27/03/418102703.db2.gz FDFSJQAVYUKBIR-UHFFFAOYSA-N 1 3 318.429 0.540 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)CN2CCCC[C@H](N)C2=O)cc1 ZINC000648146673 418107079 /nfs/dbraw/zinc/10/70/79/418107079.db2.gz OQRUJURJQYALBB-AWEZNQCLSA-N 1 3 304.394 0.684 20 0 DCADHO CC1(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659609136 418125857 /nfs/dbraw/zinc/12/58/57/418125857.db2.gz SXFAFXTYLJJJJP-AWEZNQCLSA-N 1 3 310.442 0.681 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000659608896 418125958 /nfs/dbraw/zinc/12/59/58/418125958.db2.gz GRXXHIUMMGNVAU-HUUCEWRRSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654373752 418138378 /nfs/dbraw/zinc/13/83/78/418138378.db2.gz ATQNFANRNHJUIA-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654731090 418181054 /nfs/dbraw/zinc/18/10/54/418181054.db2.gz BWGFZTDJVMNEJR-SQWLQELKSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659680788 418144426 /nfs/dbraw/zinc/14/44/26/418144426.db2.gz KZHVFGQHBACBCS-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)C1CC[NH+](C)CC1 ZINC000659697529 418150699 /nfs/dbraw/zinc/15/06/99/418150699.db2.gz XLKQTECDUHLZID-IPYPFGDCSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000664758206 418151526 /nfs/dbraw/zinc/15/15/26/418151526.db2.gz NCIRNORZZPBDHF-SOUVJXGZSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC[C@@H]1C ZINC000664758206 418151528 /nfs/dbraw/zinc/15/15/28/418151528.db2.gz NCIRNORZZPBDHF-SOUVJXGZSA-N 1 3 314.474 0.983 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cnn2ccccc12 ZINC000648770702 418153638 /nfs/dbraw/zinc/15/36/38/418153638.db2.gz YQQAUMHEPXYHID-UHFFFAOYSA-N 1 3 317.437 0.829 20 0 DCADHO C[NH+](C)CC1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000654530255 418157817 /nfs/dbraw/zinc/15/78/17/418157817.db2.gz GORQLVDNNHIBLD-LSDHHAIUSA-N 1 3 324.469 0.569 20 0 DCADHO CC(C)(CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000654544116 418158716 /nfs/dbraw/zinc/15/87/16/418158716.db2.gz OGLPZGPJPWUISY-LSDHHAIUSA-N 1 3 324.469 0.569 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000659717812 418160667 /nfs/dbraw/zinc/16/06/67/418160667.db2.gz JYKVUUBHQLSDLB-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659738620 418170414 /nfs/dbraw/zinc/17/04/14/418170414.db2.gz HFFUVQUVLPRHBJ-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000659741049 418172606 /nfs/dbraw/zinc/17/26/06/418172606.db2.gz KCBOYTWOLCZIKI-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000649411851 418252303 /nfs/dbraw/zinc/25/23/03/418252303.db2.gz JKNAPAYALGYOEC-SQNIBIBYSA-N 1 3 319.449 0.324 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000649411851 418252305 /nfs/dbraw/zinc/25/23/05/418252305.db2.gz JKNAPAYALGYOEC-SQNIBIBYSA-N 1 3 319.449 0.324 20 0 DCADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000665325224 418196530 /nfs/dbraw/zinc/19/65/30/418196530.db2.gz LOXULHDJIKIIBM-AWEZNQCLSA-N 1 3 309.458 0.866 20 0 DCADHO CN1CC[C@](O)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000655000424 418212974 /nfs/dbraw/zinc/21/29/74/418212974.db2.gz JPQHRGSUQQSDAM-KRWDZBQOSA-N 1 3 305.422 0.587 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000649234743 418213485 /nfs/dbraw/zinc/21/34/85/418213485.db2.gz OEMXSXXJIBUPHO-LSDHHAIUSA-N 1 3 324.469 0.829 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000649234743 418213488 /nfs/dbraw/zinc/21/34/88/418213488.db2.gz OEMXSXXJIBUPHO-LSDHHAIUSA-N 1 3 324.469 0.829 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649308727 418231686 /nfs/dbraw/zinc/23/16/86/418231686.db2.gz XVDFBXLGORJGOW-KFWWJZLASA-N 1 3 303.406 0.994 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655690201 418288626 /nfs/dbraw/zinc/28/86/26/418288626.db2.gz ZNONJBOOTYVJOA-SJLPKXTDSA-N 1 3 324.513 0.855 20 0 DCADHO C[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)CN1CCN(C)CC1 ZINC000655708106 418290537 /nfs/dbraw/zinc/29/05/37/418290537.db2.gz DJZLILRSJCYGMM-AEFFLSMTSA-N 1 3 324.513 0.713 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000655968933 418308409 /nfs/dbraw/zinc/30/84/09/418308409.db2.gz BTTQQHXMWXURHC-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO [NH3+]C1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656022397 418318570 /nfs/dbraw/zinc/31/85/70/418318570.db2.gz YGFSOZRVVBLIEU-PFSRBDOWSA-N 1 3 322.453 0.506 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656029336 418321506 /nfs/dbraw/zinc/32/15/06/418321506.db2.gz YMTIJOXHEZXHGI-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449983 418263175 /nfs/dbraw/zinc/26/31/75/418263175.db2.gz YHBMGCWUYNMLTH-NVXWUHKLSA-N 1 3 308.470 0.520 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000649631871 418265381 /nfs/dbraw/zinc/26/53/81/418265381.db2.gz PYOWHEKMKFHAHQ-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000649631871 418265382 /nfs/dbraw/zinc/26/53/82/418265382.db2.gz PYOWHEKMKFHAHQ-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO CC[NH+]1CCC(N2CCCN(C[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000649631871 418265383 /nfs/dbraw/zinc/26/53/83/418265383.db2.gz PYOWHEKMKFHAHQ-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655468367 418265598 /nfs/dbraw/zinc/26/55/98/418265598.db2.gz MZEACSPYERMNOI-NVXWUHKLSA-N 1 3 308.470 0.472 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000660589438 418272885 /nfs/dbraw/zinc/27/28/85/418272885.db2.gz JBHQODSDZGCRNA-DOTOQJQBSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(N2CCOC[C@@H]2C)CC1 ZINC000660589438 418272886 /nfs/dbraw/zinc/27/28/86/418272886.db2.gz JBHQODSDZGCRNA-DOTOQJQBSA-N 1 3 313.486 0.873 20 0 DCADHO CC[NH+]1CCC(NC(=O)CNC2(COC)CCOCC2)CC1 ZINC000660630230 418276668 /nfs/dbraw/zinc/27/66/68/418276668.db2.gz ONELBNZPOHEHPG-UHFFFAOYSA-N 1 3 313.442 0.372 20 0 DCADHO CN(C)CCN1C(=O)C[C@H]([N@H+]2C[C@]3(C)COC[C@]3(C)C2)C1=O ZINC000656479945 418357496 /nfs/dbraw/zinc/35/74/96/418357496.db2.gz WVJXCRSOJROPJE-VBNZEHGJSA-N 1 3 309.410 0.034 20 0 DCADHO CN(C)CCN1C(=O)C[C@H]([N@@H+]2C[C@]3(C)COC[C@]3(C)C2)C1=O ZINC000656479945 418357497 /nfs/dbraw/zinc/35/74/97/418357497.db2.gz WVJXCRSOJROPJE-VBNZEHGJSA-N 1 3 309.410 0.034 20 0 DCADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN2CCC1CC2 ZINC000661987518 418374466 /nfs/dbraw/zinc/37/44/66/418374466.db2.gz RQLTYXNVBKGSIB-MRXNPFEDSA-N 1 3 322.453 0.729 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)c1cccc2c1CCNC2 ZINC000662414100 418408462 /nfs/dbraw/zinc/40/84/62/418408462.db2.gz NNJVKRHJLVPEHT-UHFFFAOYSA-N 1 3 302.422 0.310 20 0 DCADHO Cc1nccn1CCNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000299494383 229154379 /nfs/dbraw/zinc/15/43/79/229154379.db2.gz OPENCPDJIGDJCF-UHFFFAOYSA-N 1 3 322.457 0.517 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000195143063 261150444 /nfs/dbraw/zinc/15/04/44/261150444.db2.gz GLARKODEPBKFCL-AWEZNQCLSA-N 1 3 324.469 0.881 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000195143063 261150446 /nfs/dbraw/zinc/15/04/46/261150446.db2.gz GLARKODEPBKFCL-AWEZNQCLSA-N 1 3 324.469 0.881 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354796364 261272586 /nfs/dbraw/zinc/27/25/86/261272586.db2.gz RGVOUOWHVJUTHL-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354943768 261290547 /nfs/dbraw/zinc/29/05/47/261290547.db2.gz UGKDRWUNWKPOTD-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354943768 261290548 /nfs/dbraw/zinc/29/05/48/261290548.db2.gz UGKDRWUNWKPOTD-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000355278210 261324407 /nfs/dbraw/zinc/32/44/07/261324407.db2.gz KJFHYYKITSOQBD-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCC(NC(=O)C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000411787137 262175940 /nfs/dbraw/zinc/17/59/40/262175940.db2.gz KLJOKVPDKGKLBO-FUHWJXTLSA-N 1 3 323.481 0.974 20 0 DCADHO C[C@H]1NCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000416979904 262243162 /nfs/dbraw/zinc/24/31/62/262243162.db2.gz SRPCHKVDNPDBKL-ZIAGYGMSSA-N 1 3 311.474 0.404 20 0 DCADHO CO[C@H]1CCN(C(=O)NCCN2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000417015072 262243313 /nfs/dbraw/zinc/24/33/13/262243313.db2.gz LYMURTJRUVXCHP-CABCVRRESA-N 1 3 312.458 0.866 20 0 DCADHO COCC[NH2+]CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000417060664 262244965 /nfs/dbraw/zinc/24/49/65/262244965.db2.gz DOQLNPUEGDBTTJ-UHFFFAOYSA-N 1 3 308.426 0.783 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417098671 262246276 /nfs/dbraw/zinc/24/62/76/262246276.db2.gz YVIAUTYYFMJHMA-UONOGXRCSA-N 1 3 300.447 0.581 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417296727 262249395 /nfs/dbraw/zinc/24/93/95/262249395.db2.gz MJONFMZMCGCQHA-HIFRSBDPSA-N 1 3 312.458 0.914 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417439232 262252049 /nfs/dbraw/zinc/25/20/49/262252049.db2.gz LEJSCWYIWIAAEQ-LSDHHAIUSA-N 1 3 312.458 0.596 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000417438927 262252401 /nfs/dbraw/zinc/25/24/01/262252401.db2.gz KFODWNLWPXAVOE-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417529208 262254656 /nfs/dbraw/zinc/25/46/56/262254656.db2.gz QKQOTIMBQALBJS-ZDUSSCGKSA-N 1 3 308.426 0.816 20 0 DCADHO CN(C)C1(CNC(=O)N2CC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736425 262259572 /nfs/dbraw/zinc/25/95/72/262259572.db2.gz MOBXITUHMZQZBI-OAHLLOKOSA-N 1 3 302.422 0.828 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000417749797 262260113 /nfs/dbraw/zinc/26/01/13/262260113.db2.gz JTZGHWIVTFMLPR-CABCVRRESA-N 1 3 313.490 0.687 20 0 DCADHO C[NH+](C)[C@@]1(CNC(=O)N2CCNC(C)(C)C2)CCSC1 ZINC000417836785 262263547 /nfs/dbraw/zinc/26/35/47/262263547.db2.gz VDURSSSYNWAMAE-CQSZACIVSA-N 1 3 300.472 0.817 20 0 DCADHO CC[NH2+]CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417982123 262266714 /nfs/dbraw/zinc/26/67/14/262266714.db2.gz ATPNHVMRNLTQEG-MRXNPFEDSA-N 1 3 320.437 0.662 20 0 DCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(CC[NH3+])CCO ZINC000417977123 262266726 /nfs/dbraw/zinc/26/67/26/262266726.db2.gz GRULFMMQMANLHD-CQSZACIVSA-N 1 3 308.426 0.470 20 0 DCADHO COCCNCCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000418016729 262268257 /nfs/dbraw/zinc/26/82/57/262268257.db2.gz GFWHBLUWONWXCI-CQSZACIVSA-N 1 3 300.447 0.786 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418409937 262276257 /nfs/dbraw/zinc/27/62/57/262276257.db2.gz ODOVHJCUBBUKFO-SOUVJXGZSA-N 1 3 312.458 0.650 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418414500 262276921 /nfs/dbraw/zinc/27/69/21/262276921.db2.gz ZSHCPBBDVZLXOB-YMAMQOFZSA-N 1 3 312.458 0.648 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418437206 262278010 /nfs/dbraw/zinc/27/80/10/262278010.db2.gz CSEXLRMQVDQSCE-KGLIPLIRSA-N 1 3 300.447 0.650 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418931724 262299516 /nfs/dbraw/zinc/29/95/16/262299516.db2.gz HGMMJFDHLIMECB-KBPBESRZSA-N 1 3 314.474 0.665 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419080709 262307027 /nfs/dbraw/zinc/30/70/27/262307027.db2.gz QCDXWTYABAKHBC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419095723 262309059 /nfs/dbraw/zinc/30/90/59/262309059.db2.gz BKXKSCQOAMRZDR-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419120933 262310140 /nfs/dbraw/zinc/31/01/40/262310140.db2.gz LPRIRBWJUOAWNH-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419123727 262310792 /nfs/dbraw/zinc/31/07/92/262310792.db2.gz PYZRDAGUQJZFBH-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419163443 262315324 /nfs/dbraw/zinc/31/53/24/262315324.db2.gz WLMYPZKVIHMSJN-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000419405874 262330739 /nfs/dbraw/zinc/33/07/39/262330739.db2.gz IAMDFOKADDSTQG-HNNXBMFYSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419418656 262331745 /nfs/dbraw/zinc/33/17/45/262331745.db2.gz IPZQPHCVFYPTSH-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000419416576 262331896 /nfs/dbraw/zinc/33/18/96/262331896.db2.gz WJUDFOZZPVWNMT-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419419047 262332430 /nfs/dbraw/zinc/33/24/30/262332430.db2.gz YTHULZNUXAFCQC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000419427651 262333439 /nfs/dbraw/zinc/33/34/39/262333439.db2.gz SDNJXLKZVGYNKK-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419480897 262333766 /nfs/dbraw/zinc/33/37/66/262333766.db2.gz NVVFEPSEAKJTMG-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419484022 262334509 /nfs/dbraw/zinc/33/45/09/262334509.db2.gz SJMUXESATPSDSP-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419484022 262334510 /nfs/dbraw/zinc/33/45/10/262334510.db2.gz SJMUXESATPSDSP-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419502388 262336288 /nfs/dbraw/zinc/33/62/88/262336288.db2.gz CYGFLNVGHVUWQG-KBPBESRZSA-N 1 3 314.474 0.665 20 0 DCADHO CCCN(C(=O)C(=O)NCCN(C)[C@H](C)CC)[C@H]1CC[NH2+]C1 ZINC000419508834 262336352 /nfs/dbraw/zinc/33/63/52/262336352.db2.gz DHMBBACYLRMDSO-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419596073 262339413 /nfs/dbraw/zinc/33/94/13/262339413.db2.gz XMVXBLICXQLOHF-YOEHRIQHSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419596080 262339832 /nfs/dbraw/zinc/33/98/32/262339832.db2.gz XNGBOTLZIMESME-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCC[C@@H](C)C1 ZINC000419850234 262349332 /nfs/dbraw/zinc/34/93/32/262349332.db2.gz FALVOAILQSQEAM-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419929997 262353654 /nfs/dbraw/zinc/35/36/54/262353654.db2.gz NQLAWKQQKOLNTN-GJZGRUSLSA-N 1 3 318.421 0.355 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419988956 262355831 /nfs/dbraw/zinc/35/58/31/262355831.db2.gz IKJHNTBDDOYTHU-LBPRGKRZSA-N 1 3 310.398 0.023 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419990466 262356077 /nfs/dbraw/zinc/35/60/77/262356077.db2.gz GAWDYCMLGSPFPX-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](NCCOCC[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420369910 262371887 /nfs/dbraw/zinc/37/18/87/262371887.db2.gz JENCRHPCZGRNTL-GFCCVEGCSA-N 1 3 315.439 0.563 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000420595026 262377865 /nfs/dbraw/zinc/37/78/65/262377865.db2.gz FHWILNDZXREDNO-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO c1nnc2ccc(N3CCN(CCC4CC[NH2+]CC4)CC3)nn12 ZINC000359230582 271107785 /nfs/dbraw/zinc/10/77/85/271107785.db2.gz ZZJUWUIWHKKSRF-UHFFFAOYSA-N 1 3 315.425 0.636 20 0 DCADHO C[NH2+]CCNC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000418327740 271243542 /nfs/dbraw/zinc/24/35/42/271243542.db2.gz MRTSOJMMDWUEQU-UHFFFAOYSA-N 1 3 308.426 0.988 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419025104 271266031 /nfs/dbraw/zinc/26/60/31/271266031.db2.gz LSVKWJWBNGRZAT-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000419027325 271266260 /nfs/dbraw/zinc/26/62/60/271266260.db2.gz OPEVXVNECUIJME-JSGCOSHPSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419030217 271267716 /nfs/dbraw/zinc/26/77/16/271267716.db2.gz SRVJIXUNAGFESL-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000419140983 271275683 /nfs/dbraw/zinc/27/56/83/271275683.db2.gz AAIFHGJTMXQPIP-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@H]1CN ZINC000419143971 271276321 /nfs/dbraw/zinc/27/63/21/271276321.db2.gz DWLBXYWMJORMDY-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000419580963 271310805 /nfs/dbraw/zinc/31/08/05/271310805.db2.gz IAGJCDFABCBUIR-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000419652576 271314932 /nfs/dbraw/zinc/31/49/32/271314932.db2.gz XLMONLSIKDUZLH-HNNXBMFYSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1[NH3+] ZINC000419638983 271315721 /nfs/dbraw/zinc/31/57/21/271315721.db2.gz JLVSWIOKARHQRC-IUODEOHRSA-N 1 3 318.421 0.170 20 0 DCADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419667137 271319328 /nfs/dbraw/zinc/31/93/28/271319328.db2.gz AZAJWTRSJLQKBQ-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419811094 271326007 /nfs/dbraw/zinc/32/60/07/271326007.db2.gz CGSRCZSUMCUQOI-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419811094 271326010 /nfs/dbraw/zinc/32/60/10/271326010.db2.gz CGSRCZSUMCUQOI-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419811091 271326427 /nfs/dbraw/zinc/32/64/27/271326427.db2.gz CGSRCZSUMCUQOI-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419811091 271326429 /nfs/dbraw/zinc/32/64/29/271326429.db2.gz CGSRCZSUMCUQOI-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)C[NH+]1CCCC1 ZINC000419815214 271327370 /nfs/dbraw/zinc/32/73/70/271327370.db2.gz HPYVOOIVQYUQKO-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419951425 271349621 /nfs/dbraw/zinc/34/96/21/271349621.db2.gz JJALLGPQVGPGMN-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419951425 271349623 /nfs/dbraw/zinc/34/96/23/271349623.db2.gz JJALLGPQVGPGMN-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000449318132 271849811 /nfs/dbraw/zinc/84/98/11/271849811.db2.gz FIKRLMFXBADWCS-KGLIPLIRSA-N 1 3 320.441 0.492 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000459895209 272016772 /nfs/dbraw/zinc/01/67/72/272016772.db2.gz KICZLIIHCWBHCS-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000459899343 272017803 /nfs/dbraw/zinc/01/78/03/272017803.db2.gz QFRNETIDNBKKDN-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000459899343 272017805 /nfs/dbraw/zinc/01/78/05/272017805.db2.gz QFRNETIDNBKKDN-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471632033 272027711 /nfs/dbraw/zinc/02/77/11/272027711.db2.gz APJYTAUESXYXOY-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471632033 272027713 /nfs/dbraw/zinc/02/77/13/272027713.db2.gz APJYTAUESXYXOY-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000471657509 272028342 /nfs/dbraw/zinc/02/83/42/272028342.db2.gz YFNSIGLXHKEIIQ-OAHLLOKOSA-N 1 3 312.458 0.692 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)/C=C/C=C\C(=O)N[C@@H](C)C[NH+](C)C ZINC000492839876 272153614 /nfs/dbraw/zinc/15/36/14/272153614.db2.gz LZJHQAMAYWJBMC-VTRVRUEXSA-N 1 3 310.442 0.231 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)/C=C\C=C\C(=O)N[C@@H](C)C[NH+](C)C ZINC000492839876 272153616 /nfs/dbraw/zinc/15/36/16/272153616.db2.gz LZJHQAMAYWJBMC-VTRVRUEXSA-N 1 3 310.442 0.231 20 0 DCADHO C[C@H]1CN(C(=O)[C@H]2CCCN2C)CCN1C(=O)[C@H]1CCCN1C ZINC000511903312 272397314 /nfs/dbraw/zinc/39/73/14/272397314.db2.gz ACKBYSNPGAZEOU-RRFJBIMHSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CN(C(=O)[C@H]2CCCN2C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000511903312 272397316 /nfs/dbraw/zinc/39/73/16/272397316.db2.gz ACKBYSNPGAZEOU-RRFJBIMHSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CN(C(=O)[C@H]2CCCN2C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000511903312 272397317 /nfs/dbraw/zinc/39/73/17/272397317.db2.gz ACKBYSNPGAZEOU-RRFJBIMHSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000514859114 272410227 /nfs/dbraw/zinc/41/02/27/272410227.db2.gz JIZLOMHWMVZCSE-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CCNC(=O)NC[C@]1(O)CCN(C)C1)[NH+]1CCCCC1 ZINC000546590709 288019896 /nfs/dbraw/zinc/01/98/96/288019896.db2.gz VWAPZNZZTSBNBR-GDBMZVCRSA-N 1 3 312.458 0.617 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000340119213 279360126 /nfs/dbraw/zinc/36/01/26/279360126.db2.gz IKRTUTABUPMYDW-OAGGEKHMSA-N 1 3 310.486 0.894 20 0 DCADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCCC[C@H]2CN)CCCC1 ZINC000418817797 282063851 /nfs/dbraw/zinc/06/38/51/282063851.db2.gz HVTGJNRPLTWYQP-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000557158888 288411598 /nfs/dbraw/zinc/41/15/98/288411598.db2.gz GECJKTBANJDQMZ-HIFRSBDPSA-N 1 3 324.469 0.879 20 0 DCADHO CCCN1CCC(N(C)C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000563812632 288705930 /nfs/dbraw/zinc/70/59/30/288705930.db2.gz BAJGBTKBLMFMOO-UHFFFAOYSA-N 1 3 322.457 0.963 20 0 DCADHO CN1CCC(O)(CNC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000564932784 288791749 /nfs/dbraw/zinc/79/17/49/288791749.db2.gz HOKLHAAKHWIKOA-UHFFFAOYSA-N 1 3 306.410 0.401 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000153375409 289221678 /nfs/dbraw/zinc/22/16/78/289221678.db2.gz AJIFFYOOCJDOAZ-GOEBONIOSA-N 1 3 313.442 0.059 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000339646888 289290533 /nfs/dbraw/zinc/29/05/33/289290533.db2.gz LVDZLDYPUVOWPJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332684463 295244232 /nfs/dbraw/zinc/24/42/32/295244232.db2.gz PNSUJCRJOSYTOD-LSDHHAIUSA-N 1 3 322.453 0.413 20 0 DCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333834835 297113250 /nfs/dbraw/zinc/11/32/50/297113250.db2.gz UDPYMNNSHMYHJO-UONOGXRCSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333834835 297113251 /nfs/dbraw/zinc/11/32/51/297113251.db2.gz UDPYMNNSHMYHJO-UONOGXRCSA-N 1 3 311.474 0.404 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCNCC23CCCCC3)C1 ZINC000414652617 303366268 /nfs/dbraw/zinc/36/62/68/303366268.db2.gz DNRFWDDEWKLWQH-HNNXBMFYSA-N 1 3 308.470 0.792 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCNCC23CCCCC3)C1 ZINC000414652617 303366270 /nfs/dbraw/zinc/36/62/70/303366270.db2.gz DNRFWDDEWKLWQH-HNNXBMFYSA-N 1 3 308.470 0.792 20 0 DCADHO C[C@@H]1CN(C[C@H]2CCCN2CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000580332755 333329515 /nfs/dbraw/zinc/32/95/15/333329515.db2.gz CARFKPNWQZRQNN-BRWVUGGUSA-N 1 3 310.486 0.465 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C\Cl)CCC1 ZINC001571581297 1159218760 /nfs/dbraw/zinc/21/87/60/1159218760.db2.gz IHSBZSUBSMTKMM-JECSTDCCSA-N 1 3 303.834 0.632 20 0 DCADHO CN(CCOCCNC/C=C/Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571679060 1159220182 /nfs/dbraw/zinc/22/01/82/1159220182.db2.gz LMUOWJREIZVKLI-MASHWEEQSA-N 1 3 303.834 0.755 20 0 DCADHO CN(CCOCCNC/C=C/Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571679060 1159220187 /nfs/dbraw/zinc/22/01/87/1159220187.db2.gz LMUOWJREIZVKLI-MASHWEEQSA-N 1 3 303.834 0.755 20 0 DCADHO CC(C)OCC[C@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000583625967 336002427 /nfs/dbraw/zinc/00/24/27/336002427.db2.gz AFHYBTZQARWOFA-INIZCTEOSA-N 1 3 301.475 0.778 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000583683928 336698032 /nfs/dbraw/zinc/69/80/32/336698032.db2.gz QFXSBWGFZIYYSB-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000582486502 337097455 /nfs/dbraw/zinc/09/74/55/337097455.db2.gz NUSJKSQTNUQITM-KBPBESRZSA-N 1 3 306.410 0.184 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000583263583 337292924 /nfs/dbraw/zinc/29/29/24/337292924.db2.gz KVRQSQDEFUIUCP-BFHYXJOUSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584460076 337344094 /nfs/dbraw/zinc/34/40/94/337344094.db2.gz ZIBMANXOZAYMPF-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584460076 337344095 /nfs/dbraw/zinc/34/40/95/337344095.db2.gz ZIBMANXOZAYMPF-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(N(C)C)nc2)CC1 ZINC000268440164 519674090 /nfs/dbraw/zinc/67/40/90/519674090.db2.gz REOYEJRGLPGMEM-UHFFFAOYSA-N 1 3 307.442 0.868 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365003973 521006665 /nfs/dbraw/zinc/00/66/65/521006665.db2.gz XZDAMVNMMFAHCV-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000237171899 521786149 /nfs/dbraw/zinc/78/61/49/521786149.db2.gz UWXBNILFMDRSKR-OAHLLOKOSA-N 1 3 318.421 0.204 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000237334021 522068605 /nfs/dbraw/zinc/06/86/05/522068605.db2.gz VMGGWPBMWVQNLN-HNNXBMFYSA-N 1 3 318.465 0.906 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420064693 535960674 /nfs/dbraw/zinc/96/06/74/535960674.db2.gz UNTNHASWWAWDDY-TZMCWYRMSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]([NH2+]CCOCCN(C)C)c1cccc(-n2cnnn2)c1 ZINC000318900056 546030195 /nfs/dbraw/zinc/03/01/95/546030195.db2.gz USKREKOTTUBUEZ-CYBMUJFWSA-N 1 3 304.398 0.891 20 0 DCADHO C[C@H]1CN(C2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)CCO1 ZINC000336867770 546099326 /nfs/dbraw/zinc/09/93/26/546099326.db2.gz UEHJELJNKJWQKZ-YOEHRIQHSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H]1CN(C2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)CCO1 ZINC000336867770 546099331 /nfs/dbraw/zinc/09/93/31/546099331.db2.gz UEHJELJNKJWQKZ-YOEHRIQHSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000665761673 546394582 /nfs/dbraw/zinc/39/45/82/546394582.db2.gz MPRMAULCVPQDIM-KKUMJFAQSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@H](O)C1 ZINC000665761673 546394586 /nfs/dbraw/zinc/39/45/86/546394586.db2.gz MPRMAULCVPQDIM-KKUMJFAQSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C(C)(C)O)C1 ZINC000665761711 546394928 /nfs/dbraw/zinc/39/49/28/546394928.db2.gz NUEIZUHWONQNBH-ZDUSSCGKSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C(C)(C)O)C1 ZINC000665761711 546394930 /nfs/dbraw/zinc/39/49/30/546394930.db2.gz NUEIZUHWONQNBH-ZDUSSCGKSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cncnc1N ZINC000665761067 546395048 /nfs/dbraw/zinc/39/50/48/546395048.db2.gz WBAUSMMFJOOZNT-LBPRGKRZSA-N 1 3 323.445 0.130 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cncnc1N ZINC000665761067 546395052 /nfs/dbraw/zinc/39/50/52/546395052.db2.gz WBAUSMMFJOOZNT-LBPRGKRZSA-N 1 3 323.445 0.130 20 0 DCADHO CC(C)[C@@](C)(CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762952 546396943 /nfs/dbraw/zinc/39/69/43/546396943.db2.gz VKVJQOUGPKIEDS-GOEBONIOSA-N 1 3 316.490 0.965 20 0 DCADHO CC(C)[C@@](C)(CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762952 546396944 /nfs/dbraw/zinc/39/69/44/546396944.db2.gz VKVJQOUGPKIEDS-GOEBONIOSA-N 1 3 316.490 0.965 20 0 DCADHO C[C@H](CCO)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763719 546397335 /nfs/dbraw/zinc/39/73/35/546397335.db2.gz KBIXYKIVYWPJAF-UONOGXRCSA-N 1 3 302.463 0.671 20 0 DCADHO C[C@H](CCO)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763719 546397340 /nfs/dbraw/zinc/39/73/40/546397340.db2.gz KBIXYKIVYWPJAF-UONOGXRCSA-N 1 3 302.463 0.671 20 0 DCADHO C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CC1 ZINC000665763893 546398147 /nfs/dbraw/zinc/39/81/47/546398147.db2.gz ODEAXEQRSQBNBS-UONOGXRCSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](O)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CC1 ZINC000665763893 546398151 /nfs/dbraw/zinc/39/81/51/546398151.db2.gz ODEAXEQRSQBNBS-UONOGXRCSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000665762786 546398165 /nfs/dbraw/zinc/39/81/65/546398165.db2.gz PVKUHWKBJBFFFH-ILXRZTDVSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000665762786 546398169 /nfs/dbraw/zinc/39/81/69/546398169.db2.gz PVKUHWKBJBFFFH-ILXRZTDVSA-N 1 3 314.474 0.671 20 0 DCADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000666741408 546502346 /nfs/dbraw/zinc/50/23/46/546502346.db2.gz OBHIZSBUMGIHJV-HNNXBMFYSA-N 1 3 316.405 0.781 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000666928094 546531958 /nfs/dbraw/zinc/53/19/58/546531958.db2.gz FAQFQZDUWOTXIN-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000666928094 546531962 /nfs/dbraw/zinc/53/19/62/546531962.db2.gz FAQFQZDUWOTXIN-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000668359964 546741993 /nfs/dbraw/zinc/74/19/93/546741993.db2.gz LZLBUQOCGYSEPT-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)CCN1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669110449 546919584 /nfs/dbraw/zinc/91/95/84/546919584.db2.gz WOSQKEIVRKZTQH-HNNXBMFYSA-N 1 3 311.474 0.454 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)CCSC1 ZINC000669514807 546982872 /nfs/dbraw/zinc/98/28/72/546982872.db2.gz KWWYUNJUUAHPNJ-UONOGXRCSA-N 1 3 300.472 0.804 20 0 DCADHO COC[C@@]1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CCC[NH2+]1 ZINC000669490824 546978268 /nfs/dbraw/zinc/97/82/68/546978268.db2.gz ARQJWZAUUGPKRY-ZBFHGGJFSA-N 1 3 310.442 0.539 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CCN1 ZINC000669514702 546982206 /nfs/dbraw/zinc/98/22/06/546982206.db2.gz AJFDYKCINPMKJR-LSDHHAIUSA-N 1 3 305.426 0.878 20 0 DCADHO COC[C@]1(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCC[NH2+]1 ZINC000669524675 546984653 /nfs/dbraw/zinc/98/46/53/546984653.db2.gz VBRFOWWHYFQPDC-HEHGZKQESA-N 1 3 310.442 0.679 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCCO1 ZINC000669570926 546992668 /nfs/dbraw/zinc/99/26/68/546992668.db2.gz RGUGIJFPMFVHEI-OAGGEKHMSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570483 546993015 /nfs/dbraw/zinc/99/30/15/546993015.db2.gz XYLKUGJPSWWKJA-ZBFHGGJFSA-N 1 3 320.437 0.924 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672010597 547312156 /nfs/dbraw/zinc/31/21/56/547312156.db2.gz NYQGOMQTKDCANO-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672309357 547349911 /nfs/dbraw/zinc/34/99/11/547349911.db2.gz KMUDZKWHQYHXDD-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000673672365 547513732 /nfs/dbraw/zinc/51/37/32/547513732.db2.gz FUYJYGFSEHKZOL-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCn1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000673868780 547531575 /nfs/dbraw/zinc/53/15/75/547531575.db2.gz DUPFTXHSNSIMFJ-CYBMUJFWSA-N 1 3 308.430 0.908 20 0 DCADHO CN(C)CCn1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000673868780 547531577 /nfs/dbraw/zinc/53/15/77/547531577.db2.gz DUPFTXHSNSIMFJ-CYBMUJFWSA-N 1 3 308.430 0.908 20 0 DCADHO COC1CCN(CCNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000674326750 547581731 /nfs/dbraw/zinc/58/17/31/547581731.db2.gz ODRCFKQHRCKZFR-UHFFFAOYSA-N 1 3 312.458 0.882 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C3CC3)C2)CC1 ZINC000683851396 548525018 /nfs/dbraw/zinc/52/50/18/548525018.db2.gz USKBEZAKSIYXCX-RHSMWYFYSA-N 1 3 320.481 0.898 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C3CC3)C2)CC1 ZINC000683851396 548525022 /nfs/dbraw/zinc/52/50/22/548525022.db2.gz USKBEZAKSIYXCX-RHSMWYFYSA-N 1 3 320.481 0.898 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CCCN3C3CC3)C2)CC1 ZINC000683851396 548525025 /nfs/dbraw/zinc/52/50/25/548525025.db2.gz USKBEZAKSIYXCX-RHSMWYFYSA-N 1 3 320.481 0.898 20 0 DCADHO CN(C)CCOC1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684197200 548580805 /nfs/dbraw/zinc/58/08/05/548580805.db2.gz HSYSBYHDINLSGH-AWEZNQCLSA-N 1 3 307.442 0.967 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCn1cccn1)N(C)C ZINC001667032799 1174657222 /nfs/dbraw/zinc/65/72/22/1174657222.db2.gz DQZRCBZILSOJDF-HUUCEWRRSA-N 1 3 309.458 0.906 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNC/C=C\Cl)CC[N@H+]1C ZINC001672621607 1175133889 /nfs/dbraw/zinc/13/38/89/1175133889.db2.gz RBNUWQXUBLQLQG-UNIPXTFRSA-N 1 3 303.834 0.490 20 0 DCADHO C[NH+](C)CCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736759636 598527864 /nfs/dbraw/zinc/52/78/64/598527864.db2.gz VMRXMSFFOXVXAL-LLVKDONJSA-N 1 3 319.417 0.036 20 0 DCADHO C[NH+](C)CCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736759636 598527866 /nfs/dbraw/zinc/52/78/66/598527866.db2.gz VMRXMSFFOXVXAL-LLVKDONJSA-N 1 3 319.417 0.036 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000998152387 665407142 /nfs/dbraw/zinc/40/71/42/665407142.db2.gz XTZBWIYGLZMRKN-YDHLFZDLSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000998152387 665407144 /nfs/dbraw/zinc/40/71/44/665407144.db2.gz XTZBWIYGLZMRKN-YDHLFZDLSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC000979413797 660738688 /nfs/dbraw/zinc/73/86/88/660738688.db2.gz XBMTXRASOGZLNJ-WFASDCNBSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905338276 663550160 /nfs/dbraw/zinc/55/01/60/663550160.db2.gz OMGYEYVQGBWNCL-OCCSQVGLSA-N 1 3 303.472 0.588 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC000980233656 660897697 /nfs/dbraw/zinc/89/76/97/660897697.db2.gz UPDZLASTXIMSEI-SOUVJXGZSA-N 1 3 320.437 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC000980233656 660897704 /nfs/dbraw/zinc/89/77/04/660897704.db2.gz UPDZLASTXIMSEI-SOUVJXGZSA-N 1 3 320.437 0.860 20 0 DCADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980391695 660926617 /nfs/dbraw/zinc/92/66/17/660926617.db2.gz RETNZWJNZGBGCQ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980391695 660926619 /nfs/dbraw/zinc/92/66/19/660926619.db2.gz RETNZWJNZGBGCQ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](O)CN1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981427405 661151636 /nfs/dbraw/zinc/15/16/36/661151636.db2.gz FRLAFKKCLJXMMW-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941438106 665998670 /nfs/dbraw/zinc/99/86/70/665998670.db2.gz JNEGAXYVWDRAFM-QGZVFWFLSA-N 1 3 322.497 0.811 20 0 DCADHO CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891547935 657472690 /nfs/dbraw/zinc/47/26/90/657472690.db2.gz RYMCJOFLFGBGNK-CVEARBPZSA-N 1 3 324.469 0.711 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@H]1CCN(C2CC2)C1 ZINC000891560473 657486085 /nfs/dbraw/zinc/48/60/85/657486085.db2.gz OQEMBGZNWCWIKL-MNOVXSKESA-N 1 3 302.369 0.767 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000891575931 657493248 /nfs/dbraw/zinc/49/32/48/657493248.db2.gz JGPJGQUMKWSOOQ-NEPJUHHUSA-N 1 3 320.384 0.251 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC000969199896 657558811 /nfs/dbraw/zinc/55/88/11/657558811.db2.gz HCBFCLDAKRCBBR-ZIAGYGMSSA-N 1 3 320.437 0.036 20 0 DCADHO CN1C[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C[C@]2(C)C1 ZINC000933740710 657781222 /nfs/dbraw/zinc/78/12/22/657781222.db2.gz WQRRTQDKRJDZAL-KEYYUXOJSA-N 1 3 317.437 0.799 20 0 DCADHO CN1C[C@@H]2C[N@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C[C@]2(C)C1 ZINC000933740710 657781228 /nfs/dbraw/zinc/78/12/28/657781228.db2.gz WQRRTQDKRJDZAL-KEYYUXOJSA-N 1 3 317.437 0.799 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000969403576 657812196 /nfs/dbraw/zinc/81/21/96/657812196.db2.gz MEBWRAIGUWGDOQ-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)CC[N@@H+]1C ZINC001020509404 657837318 /nfs/dbraw/zinc/83/73/18/657837318.db2.gz TZTRPJSTZUUDKM-XUXIUFHCSA-N 1 3 320.441 0.282 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)CC[N@H+]1C ZINC001020509404 657837325 /nfs/dbraw/zinc/83/73/25/657837325.db2.gz TZTRPJSTZUUDKM-XUXIUFHCSA-N 1 3 320.441 0.282 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000970792265 657909876 /nfs/dbraw/zinc/90/98/76/657909876.db2.gz HNIBKSIXBBZBAU-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500165 657935110 /nfs/dbraw/zinc/93/51/10/657935110.db2.gz QCHBLWRATBJGFZ-UJEKJILKSA-N 1 3 307.438 0.698 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500165 657935117 /nfs/dbraw/zinc/93/51/17/657935117.db2.gz QCHBLWRATBJGFZ-UJEKJILKSA-N 1 3 307.438 0.698 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500161 657936118 /nfs/dbraw/zinc/93/61/18/657936118.db2.gz QCHBLWRATBJGFZ-GJEMEMOUSA-N 1 3 307.438 0.698 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001023500161 657936121 /nfs/dbraw/zinc/93/61/21/657936121.db2.gz QCHBLWRATBJGFZ-GJEMEMOUSA-N 1 3 307.438 0.698 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)NC[C@@H]1CCC[NH2+]C1 ZINC000891980717 658047413 /nfs/dbraw/zinc/04/74/13/658047413.db2.gz XVZZCOHAVQMVML-CZUORRHYSA-N 1 3 302.422 1.000 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001020586738 658164784 /nfs/dbraw/zinc/16/47/84/658164784.db2.gz XPHSOWFKPUVMSP-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO COCCN1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969943238 658280424 /nfs/dbraw/zinc/28/04/24/658280424.db2.gz CTMPOZHRZMHENH-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC000969954956 658290123 /nfs/dbraw/zinc/29/01/23/658290123.db2.gz ILXPODNYBADPQA-LSDHHAIUSA-N 1 3 305.426 0.415 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC000969956169 658295362 /nfs/dbraw/zinc/29/53/62/658295362.db2.gz WKOXDIFURTXOHN-GOEBONIOSA-N 1 3 319.453 0.495 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926130794 658351465 /nfs/dbraw/zinc/35/14/65/658351465.db2.gz MFHVTCRFZASICJ-QWHCGFSZSA-N 1 3 306.414 0.660 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)ncn1 ZINC001022719918 658385590 /nfs/dbraw/zinc/38/55/90/658385590.db2.gz OGUXLBFOGFTCAW-YYWXWVFPSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)ncn1 ZINC001022719918 658385599 /nfs/dbraw/zinc/38/55/99/658385599.db2.gz OGUXLBFOGFTCAW-YYWXWVFPSA-N 1 3 317.437 0.720 20 0 DCADHO Cn1cc(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000971201062 658402449 /nfs/dbraw/zinc/40/24/49/658402449.db2.gz LHMRGGHYKGYNMJ-CVEARBPZSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1cc(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000971201062 658402454 /nfs/dbraw/zinc/40/24/54/658402454.db2.gz LHMRGGHYKGYNMJ-CVEARBPZSA-N 1 3 319.453 0.590 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000972336529 658583338 /nfs/dbraw/zinc/58/33/38/658583338.db2.gz YAWFBGSRUSIDFQ-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)CCn3cncn3)C2)C1 ZINC000972336529 658583341 /nfs/dbraw/zinc/58/33/41/658583341.db2.gz YAWFBGSRUSIDFQ-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022808657 658601298 /nfs/dbraw/zinc/60/12/98/658601298.db2.gz YPSRNOSOOBAKLO-XGUBFFRZSA-N 1 3 322.453 0.375 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000924436367 658669603 /nfs/dbraw/zinc/66/96/03/658669603.db2.gz BEWAELVISGGILQ-GJZGRUSLSA-N 1 3 318.421 0.641 20 0 DCADHO CCc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047909 658727063 /nfs/dbraw/zinc/72/70/63/658727063.db2.gz RROUAJDKYOBKDJ-MRVWCRGKSA-N 1 3 306.410 0.926 20 0 DCADHO CCc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047909 658727066 /nfs/dbraw/zinc/72/70/66/658727066.db2.gz RROUAJDKYOBKDJ-MRVWCRGKSA-N 1 3 306.410 0.926 20 0 DCADHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001021049477 658728439 /nfs/dbraw/zinc/72/84/39/658728439.db2.gz OETJCVQNZSHSLQ-IHRRRGAJSA-N 1 3 306.410 0.980 20 0 DCADHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001021049477 658728443 /nfs/dbraw/zinc/72/84/43/658728443.db2.gz OETJCVQNZSHSLQ-IHRRRGAJSA-N 1 3 306.410 0.980 20 0 DCADHO C[N@H+](C[C@H]1CCCOC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429628 658755182 /nfs/dbraw/zinc/75/51/82/658755182.db2.gz LOQIUWUBVACYKV-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@H]1CCCOC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429628 658755187 /nfs/dbraw/zinc/75/51/87/658755187.db2.gz LOQIUWUBVACYKV-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891439647 658761006 /nfs/dbraw/zinc/76/10/06/658761006.db2.gz OSFXBWASQYFAFV-HBNTYKKESA-N 1 3 308.348 0.859 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC000970337320 658869308 /nfs/dbraw/zinc/86/93/08/658869308.db2.gz NQQNCOAUHWGCFL-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001022119367 658875492 /nfs/dbraw/zinc/87/54/92/658875492.db2.gz FEKKFYLNWPLYPM-QKPAOTATSA-N 1 3 307.438 0.887 20 0 DCADHO O=C(N[C@H]1C[C@@H](NCc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC001022981284 658891279 /nfs/dbraw/zinc/89/12/79/658891279.db2.gz ICIZTCSMLMQRSI-TXEJJXNPSA-N 1 3 306.435 0.976 20 0 DCADHO COCCN(C)CCNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891493298 658891985 /nfs/dbraw/zinc/89/19/85/658891985.db2.gz PCPNYOCDWRIRHO-UHFFFAOYSA-N 1 3 320.437 0.710 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000892333616 658934288 /nfs/dbraw/zinc/93/42/88/658934288.db2.gz FNTDLEDMIFYWNQ-OKILXGFUSA-N 1 3 310.442 0.300 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000892333616 658934290 /nfs/dbraw/zinc/93/42/90/658934290.db2.gz FNTDLEDMIFYWNQ-OKILXGFUSA-N 1 3 310.442 0.300 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925716228 658976768 /nfs/dbraw/zinc/97/67/68/658976768.db2.gz MHWIEEUIXKQTDE-ZIAGYGMSSA-N 1 3 305.426 0.899 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001027139145 658994654 /nfs/dbraw/zinc/99/46/54/658994654.db2.gz BHFOTRZURQQWBM-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC000999362614 665636611 /nfs/dbraw/zinc/63/66/11/665636611.db2.gz BFOOYEOXFRONQQ-GDBMZVCRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC000999366381 665637243 /nfs/dbraw/zinc/63/72/43/665637243.db2.gz XNPASIVWARAPJA-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CCn1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001027217880 659090089 /nfs/dbraw/zinc/09/00/89/659090089.db2.gz REPAVJIYVGZXOB-OAHLLOKOSA-N 1 3 319.453 0.937 20 0 DCADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC000999407009 665642216 /nfs/dbraw/zinc/64/22/16/665642216.db2.gz CEFLSGRCOZWAOO-HIFPTAJRSA-N 1 3 310.442 0.171 20 0 DCADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001025158732 659093339 /nfs/dbraw/zinc/09/33/39/659093339.db2.gz SYIDCHWZGMPSIH-ZIAGYGMSSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001025158732 659093341 /nfs/dbraw/zinc/09/33/41/659093341.db2.gz SYIDCHWZGMPSIH-ZIAGYGMSSA-N 1 3 320.441 0.536 20 0 DCADHO CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857428 665661264 /nfs/dbraw/zinc/66/12/64/665661264.db2.gz UXWARCCUAONVHD-QBPRILJRSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]([NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1)C(N)=O ZINC001026540460 659385863 /nfs/dbraw/zinc/38/58/63/659385863.db2.gz MDYGJQIFSYJISP-HSBZDZAISA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)CN1 ZINC000892754397 659431655 /nfs/dbraw/zinc/43/16/55/659431655.db2.gz AICTVJJWLFQYIO-HZSPNIEDSA-N 1 3 310.442 0.537 20 0 DCADHO Cc1cc(NC(=O)CCN2CCC(O)(C[NH+](C)C)CC2)no1 ZINC000931486240 659458203 /nfs/dbraw/zinc/45/82/03/659458203.db2.gz OWELFKNDLRJMPG-UHFFFAOYSA-N 1 3 310.398 0.700 20 0 DCADHO C[NH+]1CCC2(CCN2C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000892817123 659468743 /nfs/dbraw/zinc/46/87/43/659468743.db2.gz ADBOWRMMKFKOIE-CABCVRRESA-N 1 3 322.453 0.729 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001026733932 659490576 /nfs/dbraw/zinc/49/05/76/659490576.db2.gz KCLZGOAOMCIZLF-DGCLKSJQSA-N 1 3 309.439 0.570 20 0 DCADHO CCO[C@H](CCN(C)C)C[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893366552 659508557 /nfs/dbraw/zinc/50/85/57/659508557.db2.gz DJOBDHZDZDQNFI-BFHYXJOUSA-N 1 3 306.472 0.756 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]21 ZINC001025808955 659567938 /nfs/dbraw/zinc/56/79/38/659567938.db2.gz CUFZNKIHXKOUJB-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]21 ZINC001025808955 659567939 /nfs/dbraw/zinc/56/79/39/659567939.db2.gz CUFZNKIHXKOUJB-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000999849068 665691358 /nfs/dbraw/zinc/69/13/58/665691358.db2.gz PZMZLURRJJIHCO-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000999849068 665691359 /nfs/dbraw/zinc/69/13/59/665691359.db2.gz PZMZLURRJJIHCO-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1)N(C)C ZINC001027069513 659755712 /nfs/dbraw/zinc/75/57/12/659755712.db2.gz VLTMHTJWDOIEAC-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)C1 ZINC001026043098 659759143 /nfs/dbraw/zinc/75/91/43/659759143.db2.gz ALCVKJZSSQMBNV-NMNMXBMNSA-N 1 3 307.438 0.411 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)C1 ZINC001026043098 659759146 /nfs/dbraw/zinc/75/91/46/659759146.db2.gz ALCVKJZSSQMBNV-NMNMXBMNSA-N 1 3 307.438 0.411 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]32)C1 ZINC001026043623 659760549 /nfs/dbraw/zinc/76/05/49/659760549.db2.gz UZECFMYPMDFTCO-YXISZKLHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]32)C1 ZINC001026043623 659760554 /nfs/dbraw/zinc/76/05/54/659760554.db2.gz UZECFMYPMDFTCO-YXISZKLHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027064882 659762141 /nfs/dbraw/zinc/76/21/41/659762141.db2.gz MHDBKXFPOPDZFG-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027064882 659762145 /nfs/dbraw/zinc/76/21/45/659762145.db2.gz MHDBKXFPOPDZFG-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001027091041 659797404 /nfs/dbraw/zinc/79/74/04/659797404.db2.gz CFZQCBUCBXIRCC-ZFWWWQNUSA-N 1 3 306.410 0.959 20 0 DCADHO c1ccc2c(c1)OC[C@@H](CN1CC[C@@H](N3CC[NH2+]CC3)C1)O2 ZINC000319244627 661315752 /nfs/dbraw/zinc/31/57/52/661315752.db2.gz WTKDITALLGGRIT-HUUCEWRRSA-N 1 3 303.406 0.806 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001000198069 665773476 /nfs/dbraw/zinc/77/34/76/665773476.db2.gz KIRUOGBRRDYZNQ-CABCVRRESA-N 1 3 320.441 0.201 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001028551046 661604211 /nfs/dbraw/zinc/60/42/11/661604211.db2.gz YBWCLZASKFXHTK-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001028551046 661604212 /nfs/dbraw/zinc/60/42/12/661604212.db2.gz YBWCLZASKFXHTK-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000940525584 665791573 /nfs/dbraw/zinc/79/15/73/665791573.db2.gz HSILRBUHXBROOF-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000940525584 665791575 /nfs/dbraw/zinc/79/15/75/665791575.db2.gz HSILRBUHXBROOF-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO O=C(NC[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028698626 661765000 /nfs/dbraw/zinc/76/50/00/661765000.db2.gz OHBWJKAAQCLEAN-CTMQZQKCSA-N 1 3 319.449 0.698 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028698626 661765003 /nfs/dbraw/zinc/76/50/03/661765003.db2.gz OHBWJKAAQCLEAN-CTMQZQKCSA-N 1 3 319.449 0.698 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698868 661765202 /nfs/dbraw/zinc/76/52/02/661765202.db2.gz RDWAAOACKOHVKE-BOLLXYOYSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698868 661765203 /nfs/dbraw/zinc/76/52/03/661765203.db2.gz RDWAAOACKOHVKE-BOLLXYOYSA-N 1 3 307.438 0.696 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(Cc3cccnc3)C2)C1 ZINC001028987102 661921404 /nfs/dbraw/zinc/92/14/04/661921404.db2.gz VIBWOOUGWVQWSP-JKSUJKDBSA-N 1 3 302.422 0.971 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(Cc3cccnc3)C2)C1 ZINC001028987102 661921406 /nfs/dbraw/zinc/92/14/06/661921406.db2.gz VIBWOOUGWVQWSP-JKSUJKDBSA-N 1 3 302.422 0.971 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNCc3ccn(C)n3)C2)C1 ZINC000984802476 662317965 /nfs/dbraw/zinc/31/79/65/662317965.db2.gz BDEZYVWITMGJBH-DZKIICNBSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNCc3ccn(C)n3)C2)C1 ZINC000984802476 662317966 /nfs/dbraw/zinc/31/79/66/662317966.db2.gz BDEZYVWITMGJBH-DZKIICNBSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331482 662411127 /nfs/dbraw/zinc/41/11/27/662411127.db2.gz GHXQTJCGBAVASV-KBPBESRZSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331482 662411129 /nfs/dbraw/zinc/41/11/29/662411129.db2.gz GHXQTJCGBAVASV-KBPBESRZSA-N 1 3 310.442 0.267 20 0 DCADHO CN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904590 662554517 /nfs/dbraw/zinc/55/45/17/662554517.db2.gz YSVMWBYZXSBXIS-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904590 662554518 /nfs/dbraw/zinc/55/45/18/662554518.db2.gz YSVMWBYZXSBXIS-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029947086 662597533 /nfs/dbraw/zinc/59/75/33/662597533.db2.gz HVEWXGCTWAZSOG-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001029947086 662597534 /nfs/dbraw/zinc/59/75/34/662597534.db2.gz HVEWXGCTWAZSOG-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897521299 662803894 /nfs/dbraw/zinc/80/38/94/662803894.db2.gz ADGSKIGRQMLMGF-BZUAXINKSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897521299 662803896 /nfs/dbraw/zinc/80/38/96/662803896.db2.gz ADGSKIGRQMLMGF-BZUAXINKSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC2CCOCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490841 662953301 /nfs/dbraw/zinc/95/33/01/662953301.db2.gz BEWWNBLVZJGFFR-WFASDCNBSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000989561377 662959705 /nfs/dbraw/zinc/95/97/05/662959705.db2.gz CBUQSVJMNQIMMN-DOMZBBRYSA-N 1 3 318.421 0.426 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2)C1CC1 ZINC001040241324 662965754 /nfs/dbraw/zinc/96/57/54/662965754.db2.gz NHGZIOCEGZTYRT-NVXWUHKLSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2)C1CC1 ZINC001040241324 662965755 /nfs/dbraw/zinc/96/57/55/662965755.db2.gz NHGZIOCEGZTYRT-NVXWUHKLSA-N 1 3 309.454 0.633 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC000990243156 663022783 /nfs/dbraw/zinc/02/27/83/663022783.db2.gz BFQMHJQFYRAQPM-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)ncn1 ZINC000990278431 663028468 /nfs/dbraw/zinc/02/84/68/663028468.db2.gz SERAAEPTAAQFMC-INIZCTEOSA-N 1 3 317.437 0.960 20 0 DCADHO CO[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCSC1 ZINC000898585131 663096849 /nfs/dbraw/zinc/09/68/49/663096849.db2.gz NOZLENFLPSVYIX-ZFWWWQNUSA-N 1 3 317.499 0.897 20 0 DCADHO CO[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCSC1 ZINC000898585131 663096851 /nfs/dbraw/zinc/09/68/51/663096851.db2.gz NOZLENFLPSVYIX-ZFWWWQNUSA-N 1 3 317.499 0.897 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000899732013 663186798 /nfs/dbraw/zinc/18/67/98/663186798.db2.gz CGELLKLBKVRCFB-INIZCTEOSA-N 1 3 320.437 0.334 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000899732013 663186800 /nfs/dbraw/zinc/18/68/00/663186800.db2.gz CGELLKLBKVRCFB-INIZCTEOSA-N 1 3 320.437 0.334 20 0 DCADHO C[C@@H](C[N@H+](C)Cc1ccccc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924772619 663223177 /nfs/dbraw/zinc/22/31/77/663223177.db2.gz ZQXLBUSFNBEXCJ-ZFWWWQNUSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@@H](C[N@@H+](C)Cc1ccccc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924772619 663223178 /nfs/dbraw/zinc/22/31/78/663223178.db2.gz ZQXLBUSFNBEXCJ-ZFWWWQNUSA-N 1 3 318.421 0.989 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000900497216 663249720 /nfs/dbraw/zinc/24/97/20/663249720.db2.gz OKPVGWAPZGTRQS-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO COCCN1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900605748 663260562 /nfs/dbraw/zinc/26/05/62/663260562.db2.gz LNGVWXDSYPTVLB-ZBFHGGJFSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900605748 663260564 /nfs/dbraw/zinc/26/05/64/663260564.db2.gz LNGVWXDSYPTVLB-ZBFHGGJFSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215337 665945807 /nfs/dbraw/zinc/94/58/07/665945807.db2.gz QOUZVIWZDPNXEW-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCn1ccc(=O)[nH]c1=O ZINC000902516615 663417504 /nfs/dbraw/zinc/41/75/04/663417504.db2.gz DYDCOAHSQOJRCS-UKRRQHHQSA-N 1 3 316.405 0.887 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000921267 665962432 /nfs/dbraw/zinc/96/24/32/665962432.db2.gz XORPJMMBGNWQDO-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000921267 665962433 /nfs/dbraw/zinc/96/24/33/665962433.db2.gz XORPJMMBGNWQDO-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NC1CCCC1)C2 ZINC000903490977 663458094 /nfs/dbraw/zinc/45/80/94/663458094.db2.gz PJOOGGNRFHYSOA-OZVIIMIRSA-N 1 3 309.410 0.258 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(C)CC1CC1)C2 ZINC000903493370 663458387 /nfs/dbraw/zinc/45/83/87/663458387.db2.gz WGBDUGDUCOZJOQ-ZENOOKHLSA-N 1 3 309.410 0.067 20 0 DCADHO C[C@@H]1CN(CC(=O)NC(=O)NCc2cccs2)C[C@H]1CC[NH3+] ZINC000903496541 663458887 /nfs/dbraw/zinc/45/88/87/663458887.db2.gz RMCWSIZEUUDYBJ-VXGBXAGGSA-N 1 3 324.450 0.991 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903719145 663474804 /nfs/dbraw/zinc/47/48/04/663474804.db2.gz HVHVWCXJFBXLLC-ZDUSSCGKSA-N 1 3 312.458 0.228 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](CCC(N)=O)C2)cnn1C ZINC000903888448 663490044 /nfs/dbraw/zinc/49/00/44/663490044.db2.gz CGECFPMOYZRMKJ-HUUCEWRRSA-N 1 3 321.469 0.823 20 0 DCADHO COCCOC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893452 663493125 /nfs/dbraw/zinc/49/31/25/663493125.db2.gz VVEGOJDZUNOJMS-HNNXBMFYSA-N 1 3 324.469 0.973 20 0 DCADHO COC(=O)[C@]1(C)CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897955 663493845 /nfs/dbraw/zinc/49/38/45/663493845.db2.gz KSQNDJALRJRZTF-XJKSGUPXSA-N 1 3 308.426 0.731 20 0 DCADHO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000904304993 663507603 /nfs/dbraw/zinc/50/76/03/663507603.db2.gz ANHRMKLJRSRNKT-LUKYLMHMSA-N 1 3 322.497 0.846 20 0 DCADHO C[C@H]1CCCCN1C(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904308547 663507757 /nfs/dbraw/zinc/50/77/57/663507757.db2.gz RQHQNOQFOYMYAH-HRCADAONSA-N 1 3 308.470 0.742 20 0 DCADHO Nc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)nn1 ZINC000904388391 663511410 /nfs/dbraw/zinc/51/14/10/663511410.db2.gz IKUWMRSRTPBZQC-GASCZTMLSA-N 1 3 302.426 0.459 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904969204 663520982 /nfs/dbraw/zinc/52/09/82/663520982.db2.gz BCWCDBUYRCAYFS-WMLDXEAASA-N 1 3 322.453 0.271 20 0 DCADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000905006966 663523076 /nfs/dbraw/zinc/52/30/76/663523076.db2.gz KDFBCYHYRWCNNN-GRDNDAEWSA-N 1 3 320.437 0.023 20 0 DCADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000905006967 663523276 /nfs/dbraw/zinc/52/32/76/663523276.db2.gz KDFBCYHYRWCNNN-JJRVBVJISA-N 1 3 320.437 0.023 20 0 DCADHO COCCC[NH+]1CCC(NC[C@@H](O)C2(O)CCCC2)CC1 ZINC000905087026 663528675 /nfs/dbraw/zinc/52/86/75/663528675.db2.gz DEQQMAPKARNZLS-OAHLLOKOSA-N 1 3 300.443 0.743 20 0 DCADHO [NH3+]C1CCN(Cc2cn(CCCN3CCSCC3)nn2)CC1 ZINC000905057127 663529121 /nfs/dbraw/zinc/52/91/21/663529121.db2.gz OOMIVAJJMSPXRN-UHFFFAOYSA-N 1 3 324.498 0.640 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905070222 663530539 /nfs/dbraw/zinc/53/05/39/663530539.db2.gz IFBGGSOZDBHGML-OAGGEKHMSA-N 1 3 300.443 0.599 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905070222 663530540 /nfs/dbraw/zinc/53/05/40/663530540.db2.gz IFBGGSOZDBHGML-OAGGEKHMSA-N 1 3 300.443 0.599 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)C2(O)CCCC2)CCCO1 ZINC000905229873 663539723 /nfs/dbraw/zinc/53/97/23/663539723.db2.gz CKKRTYVRJSWLEB-CABCVRRESA-N 1 3 300.443 0.743 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)C2(O)CCCC2)CCCO1 ZINC000905229873 663539724 /nfs/dbraw/zinc/53/97/24/663539724.db2.gz CKKRTYVRJSWLEB-CABCVRRESA-N 1 3 300.443 0.743 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC000905338619 663550193 /nfs/dbraw/zinc/55/01/93/663550193.db2.gz IRUKHXMIBTXEMD-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC000905338619 663550194 /nfs/dbraw/zinc/55/01/94/663550194.db2.gz IRUKHXMIBTXEMD-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905343140 663551155 /nfs/dbraw/zinc/55/11/55/663551155.db2.gz NWKBFBWBWWXENT-CABCVRRESA-N 1 3 315.483 0.732 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC000908400746 663753772 /nfs/dbraw/zinc/75/37/72/663753772.db2.gz VZNGJHPYQHFMAT-SJORKVTESA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC000908400746 663753773 /nfs/dbraw/zinc/75/37/73/663753773.db2.gz VZNGJHPYQHFMAT-SJORKVTESA-N 1 3 320.481 0.709 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000910955381 663958333 /nfs/dbraw/zinc/95/83/33/663958333.db2.gz DGJJTCRDSFIUTJ-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N1CCCCC1 ZINC000910947111 663961434 /nfs/dbraw/zinc/96/14/34/663961434.db2.gz SOQOFIYVZLTDBF-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911029309 663973967 /nfs/dbraw/zinc/97/39/67/663973967.db2.gz MHQYIBDXTSZYKV-BTFPBAQTSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CCC(C)CC1 ZINC000911090396 663985749 /nfs/dbraw/zinc/98/57/49/663985749.db2.gz ICWQLKIFNNTVSL-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911161865 663995618 /nfs/dbraw/zinc/99/56/18/663995618.db2.gz OAGFNJTVBPAHBI-ZDUSSCGKSA-N 1 3 310.442 0.030 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911208136 664005484 /nfs/dbraw/zinc/00/54/84/664005484.db2.gz JRGVLZJBCCQXKS-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911257732 664016929 /nfs/dbraw/zinc/01/69/29/664016929.db2.gz KUJMFUHQZVEOIM-XJFOESAGSA-N 1 3 322.453 0.232 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000911284026 664026994 /nfs/dbraw/zinc/02/69/94/664026994.db2.gz YWLQXUHEVNHGNC-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911329181 664029139 /nfs/dbraw/zinc/02/91/39/664029139.db2.gz GZQFMSAOERCSBK-ZNMIVQPWSA-N 1 3 324.469 0.467 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000911335871 664030307 /nfs/dbraw/zinc/03/03/07/664030307.db2.gz BUYOSQQEEYFLJP-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000911544165 664075545 /nfs/dbraw/zinc/07/55/45/664075545.db2.gz GZUGUCYFLTVNGE-HUUCEWRRSA-N 1 3 324.469 0.687 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000911544165 664075546 /nfs/dbraw/zinc/07/55/46/664075546.db2.gz GZUGUCYFLTVNGE-HUUCEWRRSA-N 1 3 324.469 0.687 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911551669 664077035 /nfs/dbraw/zinc/07/70/35/664077035.db2.gz PMXNHCCNNNDSFP-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC(N(CCO)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000911945265 664124595 /nfs/dbraw/zinc/12/45/95/664124595.db2.gz HEUIZTISXYGLJP-ZBFHGGJFSA-N 1 3 309.454 0.918 20 0 DCADHO CN1CCC(N(CCO)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000911945265 664124596 /nfs/dbraw/zinc/12/45/96/664124596.db2.gz HEUIZTISXYGLJP-ZBFHGGJFSA-N 1 3 309.454 0.918 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@]2(C)CN3CCC2CC3)cn1 ZINC000912374635 664167759 /nfs/dbraw/zinc/16/77/59/664167759.db2.gz OLJCGBOMDOKVHC-MRXNPFEDSA-N 1 3 305.426 0.659 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000992370011 664703177 /nfs/dbraw/zinc/70/31/77/664703177.db2.gz ACFUMPRQDREIMC-RRFJBIMHSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000992370011 664703178 /nfs/dbraw/zinc/70/31/78/664703178.db2.gz ACFUMPRQDREIMC-RRFJBIMHSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000913759574 664720036 /nfs/dbraw/zinc/72/00/36/664720036.db2.gz QEDYQPSXQWYMEJ-KBPBESRZSA-N 1 3 305.426 0.611 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000913759574 664720037 /nfs/dbraw/zinc/72/00/37/664720037.db2.gz QEDYQPSXQWYMEJ-KBPBESRZSA-N 1 3 305.426 0.611 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC000992851716 664779679 /nfs/dbraw/zinc/77/96/79/664779679.db2.gz CRTPZYCRLRMIFP-BBWFWOEESA-N 1 3 323.481 0.927 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993848816 665011218 /nfs/dbraw/zinc/01/12/18/665011218.db2.gz XHRJEAAYONDDFT-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941566549 666023952 /nfs/dbraw/zinc/02/39/52/666023952.db2.gz GYKYKCNPINVLSX-WBVHZDCISA-N 1 3 322.497 0.669 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941566549 666023955 /nfs/dbraw/zinc/02/39/55/666023955.db2.gz GYKYKCNPINVLSX-WBVHZDCISA-N 1 3 322.497 0.669 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941640809 666032334 /nfs/dbraw/zinc/03/23/34/666032334.db2.gz CWRUBGZTNPETCL-UHFFFAOYSA-N 1 3 320.481 0.711 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000944184706 666401440 /nfs/dbraw/zinc/40/14/40/666401440.db2.gz HWZNNYBSGLPIPI-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000944184706 666401441 /nfs/dbraw/zinc/40/14/41/666401441.db2.gz HWZNNYBSGLPIPI-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)NCC2CN(CCCO)C2)c1 ZINC001032204837 666430330 /nfs/dbraw/zinc/43/03/30/666430330.db2.gz HJTCUWGDQLLTHO-UHFFFAOYSA-N 1 3 305.422 0.792 20 0 DCADHO C[C@@H](O)CN1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181297 666608951 /nfs/dbraw/zinc/60/89/51/666608951.db2.gz HQMDKHBFBGFYCA-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)C1 ZINC000946777006 666648190 /nfs/dbraw/zinc/64/81/90/666648190.db2.gz YQVRIFCXPURNFN-IYBDPMFKSA-N 1 3 323.481 0.881 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)C1 ZINC000946777006 666648191 /nfs/dbraw/zinc/64/81/91/666648191.db2.gz YQVRIFCXPURNFN-IYBDPMFKSA-N 1 3 323.481 0.881 20 0 DCADHO COCCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279679 666659514 /nfs/dbraw/zinc/65/95/14/666659514.db2.gz WCNYREHCGUYEQK-GYMHETDLSA-N 1 3 323.437 0.029 20 0 DCADHO COCCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279679 666659516 /nfs/dbraw/zinc/65/95/16/666659516.db2.gz WCNYREHCGUYEQK-GYMHETDLSA-N 1 3 323.437 0.029 20 0 DCADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CCN(CCCO)C1 ZINC001033295904 666663830 /nfs/dbraw/zinc/66/38/30/666663830.db2.gz OLQOAWHHSBQXCF-HZPDHXFCSA-N 1 3 309.454 0.776 20 0 DCADHO C[NH+]1CCC(C(=O)N2C[C@@H](N[C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996248259 666756101 /nfs/dbraw/zinc/75/61/01/666756101.db2.gz MRCNNSCFJCSICR-UONOGXRCSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)N(C)C ZINC000996313797 666769912 /nfs/dbraw/zinc/76/99/12/666769912.db2.gz FXJXUOHYJNJBRC-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861571448 666946060 /nfs/dbraw/zinc/94/60/60/666946060.db2.gz CXCQOFSHQOXXFF-KFWWJZLASA-N 1 3 310.442 0.489 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861571448 666946062 /nfs/dbraw/zinc/94/60/62/666946062.db2.gz CXCQOFSHQOXXFF-KFWWJZLASA-N 1 3 310.442 0.489 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000996976765 667054938 /nfs/dbraw/zinc/05/49/38/667054938.db2.gz FSQJWCNZESKLJA-ZIAGYGMSSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC000997003392 667066752 /nfs/dbraw/zinc/06/67/52/667066752.db2.gz BEXGWLNSXLSWAX-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC000997008626 667071672 /nfs/dbraw/zinc/07/16/72/667071672.db2.gz WBEYVHAUBJINAE-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+])o1 ZINC000863750646 667175109 /nfs/dbraw/zinc/17/51/09/667175109.db2.gz SMAXILRBZQSCLU-LBPRGKRZSA-N 1 3 324.425 0.284 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001035052077 667230663 /nfs/dbraw/zinc/23/06/63/667230663.db2.gz FAGKYUPMQBRKSW-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001035102765 667239408 /nfs/dbraw/zinc/23/94/08/667239408.db2.gz NSSDTAOHHRACNV-OAHLLOKOSA-N 1 3 317.437 0.597 20 0 DCADHO Cn1nccc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306649 667244380 /nfs/dbraw/zinc/24/43/80/667244380.db2.gz HPUZHGILAMLCEH-UHFFFAOYSA-N 1 3 305.426 0.597 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC000997374841 667283084 /nfs/dbraw/zinc/28/30/84/667283084.db2.gz JPPSBHSLSBNOCS-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC000925342927 667318563 /nfs/dbraw/zinc/31/85/63/667318563.db2.gz JOGRSIZWXXXUCO-VGWMRTNUSA-N 1 3 324.469 0.974 20 0 DCADHO C[N@@H+]1CC[C@@H](NC[C@@]23COCCN2C(=O)COC3)CC1(C)C ZINC000865794611 667347250 /nfs/dbraw/zinc/34/72/50/667347250.db2.gz FEDDEYTYDJTFIW-CJNGLKHVSA-N 1 3 311.426 0.077 20 0 DCADHO C[N@H+]1CC[C@@H](NC[C@@]23COCCN2C(=O)COC3)CC1(C)C ZINC000865794611 667347253 /nfs/dbraw/zinc/34/72/53/667347253.db2.gz FEDDEYTYDJTFIW-CJNGLKHVSA-N 1 3 311.426 0.077 20 0 DCADHO Cn1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000997606932 667347742 /nfs/dbraw/zinc/34/77/42/667347742.db2.gz NIHIBTUTMLXNHW-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035706708 667402430 /nfs/dbraw/zinc/40/24/30/667402430.db2.gz PBOPZVFKFGDBNQ-MRXNPFEDSA-N 1 3 321.465 0.899 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC3(CN(CCCO)C3)CC2)CC1 ZINC001035782177 667409478 /nfs/dbraw/zinc/40/94/78/667409478.db2.gz IPZPWVFMYKSOFW-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035795501 667410536 /nfs/dbraw/zinc/41/05/36/667410536.db2.gz UVZQAUCLERTYFZ-GJZGRUSLSA-N 1 3 309.454 0.755 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035795501 667410538 /nfs/dbraw/zinc/41/05/38/667410538.db2.gz UVZQAUCLERTYFZ-GJZGRUSLSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035835372 667413924 /nfs/dbraw/zinc/41/39/24/667413924.db2.gz PGPHFQCTYWDKCM-AWEZNQCLSA-N 1 3 307.438 0.387 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CCC1(C)C ZINC000867742965 667494083 /nfs/dbraw/zinc/49/40/83/667494083.db2.gz CNMQFXDBKZCQHU-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](N)CCOC)C1 ZINC000884230090 667505377 /nfs/dbraw/zinc/50/53/77/667505377.db2.gz IUDZBGMPSRLYQA-KGLIPLIRSA-N 1 3 301.431 0.310 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000923323388 667508025 /nfs/dbraw/zinc/50/80/25/667508025.db2.gz SXGLJOUHCFDZCU-SNPRPXQTSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000923323388 667508028 /nfs/dbraw/zinc/50/80/28/667508028.db2.gz SXGLJOUHCFDZCU-SNPRPXQTSA-N 1 3 310.442 0.632 20 0 DCADHO CC(C)COC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923343455 667512300 /nfs/dbraw/zinc/51/23/00/667512300.db2.gz CMUUGDGFMNRKOZ-CABCVRRESA-N 1 3 315.458 0.339 20 0 DCADHO N[C@H](CC1CC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280107 667514951 /nfs/dbraw/zinc/51/49/51/667514951.db2.gz BKCORUYMATVZGC-GHMZBOCLSA-N 1 3 308.348 0.066 20 0 DCADHO CCNS(=O)(=O)[C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923372208 667518324 /nfs/dbraw/zinc/51/83/24/667518324.db2.gz FKUJDHNJEKLBPI-JALIKCBVSA-N 1 3 315.483 0.921 20 0 DCADHO Cc1cc(C)cc(OC[C@@H](O)CN2CCC(O)(C[NH3+])CC2)c1 ZINC000923382816 667521754 /nfs/dbraw/zinc/52/17/54/667521754.db2.gz WFQVLOCDLVAFIO-HNNXBMFYSA-N 1 3 308.422 0.829 20 0 DCADHO C[C@H](CN1CCC2(CO[C@@H](C[NH3+])C2)CC1)CS(C)(=O)=O ZINC000923448721 667534610 /nfs/dbraw/zinc/53/46/10/667534610.db2.gz GSYJOCBMJISCKI-CHWSQXEVSA-N 1 3 304.456 0.497 20 0 DCADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498145 667549019 /nfs/dbraw/zinc/54/90/19/667549019.db2.gz JOZANTUPFBXCTN-BBBLOLIVSA-N 1 3 324.347 0.680 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884576110 667568994 /nfs/dbraw/zinc/56/89/94/667568994.db2.gz ACQJZXVUZKXAPX-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000884576944 667569330 /nfs/dbraw/zinc/56/93/30/667569330.db2.gz UGAMMUWRTOBCBG-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000923589994 667574063 /nfs/dbraw/zinc/57/40/63/667574063.db2.gz OKEKZQJUJZHDAQ-MGPQQGTHSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923593129 667575025 /nfs/dbraw/zinc/57/50/25/667575025.db2.gz ITIHITDPTZOFGN-JHJVBQTASA-N 1 3 301.456 0.625 20 0 DCADHO CN1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CCC1(C)C ZINC000884684435 667589287 /nfs/dbraw/zinc/58/92/87/667589287.db2.gz FMQUDQDSRXFQBK-UHFFFAOYSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884787653 667607149 /nfs/dbraw/zinc/60/71/49/667607149.db2.gz YKEPQCDDOHLCRQ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)C1 ZINC000884787626 667607164 /nfs/dbraw/zinc/60/71/64/667607164.db2.gz XNNLMCXLVASPTP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884787289 667607231 /nfs/dbraw/zinc/60/72/31/667607231.db2.gz MYEPKPJVJVNVTN-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)C1 ZINC000884787625 667607365 /nfs/dbraw/zinc/60/73/65/667607365.db2.gz XNNLMCXLVASPTP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCC1(C)C ZINC000884804721 667608760 /nfs/dbraw/zinc/60/87/60/667608760.db2.gz IOQMSRWHJXJIIO-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885196664 667651276 /nfs/dbraw/zinc/65/12/76/667651276.db2.gz HPVWRWWYIIMWJZ-UHFFFAOYSA-N 1 3 300.447 0.276 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000870982035 667780796 /nfs/dbraw/zinc/78/07/96/667780796.db2.gz VXZOBXRYNLJZQQ-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923630159 667815436 /nfs/dbraw/zinc/81/54/36/667815436.db2.gz SQWKVNLAMQCJKV-MGPQQGTHSA-N 1 3 301.456 0.484 20 0 DCADHO CCN(C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000887068116 667844798 /nfs/dbraw/zinc/84/47/98/667844798.db2.gz GGTQYFZWSGXQJM-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)(O)C[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000872203349 667876822 /nfs/dbraw/zinc/87/68/22/667876822.db2.gz VMXAAIFGHVDQIB-XHSDSOJGSA-N 1 3 314.470 0.866 20 0 DCADHO CC[C@@H](C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)N(C)C ZINC000872253758 667882481 /nfs/dbraw/zinc/88/24/81/667882481.db2.gz GUXMUGXBERQFLR-MJBXVCDLSA-N 1 3 324.425 0.110 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000872286997 667885897 /nfs/dbraw/zinc/88/58/97/667885897.db2.gz UDYABZCSKXKZDL-IGCXYCKISA-N 1 3 315.421 0.899 20 0 DCADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1C(=O)C(=O)N(C)C1=O ZINC000872745664 667936161 /nfs/dbraw/zinc/93/61/61/667936161.db2.gz CWLGMVGEYPZRMZ-UHFFFAOYSA-N 1 3 324.425 0.664 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889770180 667995173 /nfs/dbraw/zinc/99/51/73/667995173.db2.gz YXCFLVQXGRQGRH-QXSJWSMHSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889770180 667995175 /nfs/dbraw/zinc/99/51/75/667995175.db2.gz YXCFLVQXGRQGRH-QXSJWSMHSA-N 1 3 309.454 0.917 20 0 DCADHO CC1(C)CC[C@@H](CNC2CCN(S(C)(=O)=O)CC2)[NH2+]C1 ZINC000873236220 668067922 /nfs/dbraw/zinc/06/79/22/668067922.db2.gz YUBCUOFGGFVZIC-ZDUSSCGKSA-N 1 3 303.472 0.778 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873328863 668074857 /nfs/dbraw/zinc/07/48/57/668074857.db2.gz QYIQGJQTIVQWLN-WFASDCNBSA-N 1 3 306.414 0.851 20 0 DCADHO [NH3+]CC[C@@H]1CN(S(=O)(=O)N2CCNCC2)c2ccccc21 ZINC000923637857 668240793 /nfs/dbraw/zinc/24/07/93/668240793.db2.gz VGCMBRHWFGDKIN-GFCCVEGCSA-N 1 3 310.423 0.089 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000925417347 668314989 /nfs/dbraw/zinc/31/49/89/668314989.db2.gz ZMDUUUDESGOWHA-HOTGVXAUSA-N 1 3 323.485 0.500 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000925417347 668314992 /nfs/dbraw/zinc/31/49/92/668314992.db2.gz ZMDUUUDESGOWHA-HOTGVXAUSA-N 1 3 323.485 0.500 20 0 DCADHO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000925424069 668317242 /nfs/dbraw/zinc/31/72/42/668317242.db2.gz IYBNUBJENSSADD-GJZGRUSLSA-N 1 3 310.442 0.444 20 0 DCADHO C[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000925424069 668317250 /nfs/dbraw/zinc/31/72/50/668317250.db2.gz IYBNUBJENSSADD-GJZGRUSLSA-N 1 3 310.442 0.444 20 0 DCADHO CN1CCN(Cc2ccc(CN[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925484080 668324936 /nfs/dbraw/zinc/32/49/36/668324936.db2.gz CDCYOYAXMQRNIJ-SFHVURJKSA-N 1 3 318.465 0.512 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000875459342 668325054 /nfs/dbraw/zinc/32/50/54/668325054.db2.gz ACRQKGCAODUCIA-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1 ZINC000875459342 668325058 /nfs/dbraw/zinc/32/50/58/668325058.db2.gz ACRQKGCAODUCIA-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@H](c2ccccc2)[C@@H](C)N)CC1 ZINC000925537186 668328859 /nfs/dbraw/zinc/32/88/59/668328859.db2.gz KHKNHLITRQGQDV-DYVFJYSZSA-N 1 3 304.438 0.875 20 0 DCADHO CC1(C)[C@H]([NH2+]CCCCn2cc(C(N)=O)nn2)[C@@H]2CCCN[C@@H]21 ZINC000925689055 668341198 /nfs/dbraw/zinc/34/11/98/668341198.db2.gz GBMKXWVCTNLYGN-YUTCNCBUSA-N 1 3 320.441 0.523 20 0 DCADHO CC[NH+](CC)CCOCCN[C@H]1C(=O)NCC12CCOCC2 ZINC000926150158 668379031 /nfs/dbraw/zinc/37/90/31/668379031.db2.gz ITZIHUZHJHLUON-AWEZNQCLSA-N 1 3 313.442 0.230 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926323031 668394709 /nfs/dbraw/zinc/39/47/09/668394709.db2.gz XMEYJLMOTKRXBA-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H](CCNC(=O)NC[C@@H]1CCN1C1CCOCC1)[NH+](C)C ZINC000927634795 668489030 /nfs/dbraw/zinc/48/90/30/668489030.db2.gz YMLIRRCOUGDEHM-HIFRSBDPSA-N 1 3 312.458 0.879 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876780906 668509501 /nfs/dbraw/zinc/50/95/01/668509501.db2.gz JMZIMCPMFWTMKQ-HZSPNIEDSA-N 1 3 300.422 0.076 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876880956 668526563 /nfs/dbraw/zinc/52/65/63/668526563.db2.gz QZZVKPMDORUJKH-MOEXGYKKSA-N 1 3 308.470 0.638 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)C2)nn1 ZINC000876918371 668535431 /nfs/dbraw/zinc/53/54/31/668535431.db2.gz JGVFSCHBYCHDTM-LZWOXQAQSA-N 1 3 318.425 0.433 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000876918398 668535528 /nfs/dbraw/zinc/53/55/28/668535528.db2.gz KBWDCJOTOBZEHJ-OTTOIOCTSA-N 1 3 318.425 0.312 20 0 DCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])C[C@H]1C[NH+](C)C ZINC000877144289 668567092 /nfs/dbraw/zinc/56/70/92/668567092.db2.gz JPBCEODHKOVINF-CHWSQXEVSA-N 1 3 320.437 0.786 20 0 DCADHO CN1CCN(C2CCN(C(=O)/C=C\[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000877249633 668583400 /nfs/dbraw/zinc/58/34/00/668583400.db2.gz BFNUHBSFBIKWJW-AWFCHZOYSA-N 1 3 320.481 0.781 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877384160 668613247 /nfs/dbraw/zinc/61/32/47/668613247.db2.gz DMKUXPOGCFENJK-BQFCYCMXSA-N 1 3 316.449 0.847 20 0 DCADHO CC1([NH+]2CCCC2)CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923664933 668665582 /nfs/dbraw/zinc/66/55/82/668665582.db2.gz FLJYDPLWDTWUCP-UHFFFAOYSA-N 1 3 316.471 0.087 20 0 DCADHO [NH3+][C@@H](C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1)C1CCCC1 ZINC000923671223 668722458 /nfs/dbraw/zinc/72/24/58/668722458.db2.gz IYCZTBKKZBRLLA-WFASDCNBSA-N 1 3 315.483 0.908 20 0 DCADHO C[C@@H]1CN(CCO[C@H]2CCOC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930135278 668965343 /nfs/dbraw/zinc/96/53/43/668965343.db2.gz CZHJFKXKBGGQCP-IXDOHACOSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CC[C@H]1N1CCN(C)CC1 ZINC000930135278 668965347 /nfs/dbraw/zinc/96/53/47/668965347.db2.gz CZHJFKXKBGGQCP-IXDOHACOSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CC[C@H]1N1CCN(C)CC1 ZINC000930135278 668965351 /nfs/dbraw/zinc/96/53/51/668965351.db2.gz CZHJFKXKBGGQCP-IXDOHACOSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C2(O)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930138105 668967038 /nfs/dbraw/zinc/96/70/38/668967038.db2.gz XODNALLKNOUQMV-OWCLPIDISA-N 1 3 311.470 0.220 20 0 DCADHO CCOCCOCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930136261 668967606 /nfs/dbraw/zinc/96/76/06/668967606.db2.gz KOOLAHWHENCOLR-DLBZAZTESA-N 1 3 313.486 0.997 20 0 DCADHO CCOCCOCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000930136261 668967608 /nfs/dbraw/zinc/96/76/08/668967608.db2.gz KOOLAHWHENCOLR-DLBZAZTESA-N 1 3 313.486 0.997 20 0 DCADHO CCOCCOCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000930136261 668967612 /nfs/dbraw/zinc/96/76/12/668967612.db2.gz KOOLAHWHENCOLR-DLBZAZTESA-N 1 3 313.486 0.997 20 0 DCADHO C[C@H]1CN(C[C@H](O)Cn2cccn2)CCN1c1cc[nH+]cc1 ZINC000880262013 669182678 /nfs/dbraw/zinc/18/26/78/669182678.db2.gz RDAGSDIPFFWWCF-HOCLYGCPSA-N 1 3 301.394 0.850 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN([C@H]3CCN(C4CCOCC4)C3=O)C[C@@H]2C1 ZINC000931436006 669203652 /nfs/dbraw/zinc/20/36/52/669203652.db2.gz PHEHQIDIOAKLNF-YCPHGPKFSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@@H]2CN([C@H]3CCN(C4CCOCC4)C3=O)C[C@@H]2C1 ZINC000931436006 669203658 /nfs/dbraw/zinc/20/36/58/669203658.db2.gz PHEHQIDIOAKLNF-YCPHGPKFSA-N 1 3 307.438 0.650 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000931567256 669223574 /nfs/dbraw/zinc/22/35/74/669223574.db2.gz POUGVIHBEBCOMN-CYBMUJFWSA-N 1 3 308.430 0.908 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000931567256 669223576 /nfs/dbraw/zinc/22/35/76/669223576.db2.gz POUGVIHBEBCOMN-CYBMUJFWSA-N 1 3 308.430 0.908 20 0 DCADHO CN(C)CCCS(=O)(=O)N(CCC[NH3+])CC(F)(F)F ZINC000883471438 669692065 /nfs/dbraw/zinc/69/20/65/669692065.db2.gz LDVKYGDYINSKTR-UHFFFAOYSA-N 1 3 305.366 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCCCC1)[N@H+](C)C1CC1 ZINC000793723044 669738575 /nfs/dbraw/zinc/73/85/75/669738575.db2.gz WDAJDJUYPLGPHI-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCCCC1)[N@@H+](C)C1CC1 ZINC000793723044 669738578 /nfs/dbraw/zinc/73/85/78/669738578.db2.gz WDAJDJUYPLGPHI-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000950819223 670132072 /nfs/dbraw/zinc/13/20/72/670132072.db2.gz ARPNUVKRJOKQPK-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCO)C2)CCC1 ZINC001036735909 670166812 /nfs/dbraw/zinc/16/68/12/670166812.db2.gz RPLCHTVZRGSASH-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCO)C2)CCC1 ZINC001036735909 670166814 /nfs/dbraw/zinc/16/68/14/670166814.db2.gz RPLCHTVZRGSASH-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCO)C2)CC1 ZINC001036853818 670221632 /nfs/dbraw/zinc/22/16/32/670221632.db2.gz ZPFJOWVTRWULRR-JKSUJKDBSA-N 1 3 309.454 0.633 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)CC1 ZINC001036853818 670221634 /nfs/dbraw/zinc/22/16/34/670221634.db2.gz ZPFJOWVTRWULRR-JKSUJKDBSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccncn1 ZINC000855346206 670701207 /nfs/dbraw/zinc/70/12/07/670701207.db2.gz RPKCZNZIBSCGPH-AFNCTOJWSA-N 1 3 305.426 0.878 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccncn1 ZINC000855346206 670701210 /nfs/dbraw/zinc/70/12/10/670701210.db2.gz RPKCZNZIBSCGPH-AFNCTOJWSA-N 1 3 305.426 0.878 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCCCC1 ZINC000848931740 670742314 /nfs/dbraw/zinc/74/23/14/670742314.db2.gz HFGODKUDRCLLCW-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(N(C)C)n1 ZINC000849015877 670749556 /nfs/dbraw/zinc/74/95/56/670749556.db2.gz QRKVOEMPWDJLMI-ZDUSSCGKSA-N 1 3 305.430 0.641 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nnn(C(C)(C)C)n1 ZINC000849048378 670755447 /nfs/dbraw/zinc/75/54/47/670755447.db2.gz BXYKVIBABKZSJZ-LLVKDONJSA-N 1 3 308.434 0.526 20 0 DCADHO [NH2+]=C(NCCOCCO)NC1CCN(Cc2ccccc2)CC1 ZINC000849055629 670756477 /nfs/dbraw/zinc/75/64/77/670756477.db2.gz QPIVLGMTVMEIFT-UHFFFAOYSA-N 1 3 320.437 0.774 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849482109 670810287 /nfs/dbraw/zinc/81/02/87/670810287.db2.gz QEJBZLFATSZYFL-CVEARBPZSA-N 1 3 321.469 0.913 20 0 DCADHO O=C(N[C@@H]1CCCN(CCCO)C1)C1CC[NH+](C2CC2)CC1 ZINC000857517986 670926891 /nfs/dbraw/zinc/92/68/91/670926891.db2.gz BQNJZDDRGVDPGE-OAHLLOKOSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@H](C[NH3+])C1 ZINC000851657032 671006008 /nfs/dbraw/zinc/00/60/08/671006008.db2.gz TZVCPJIOFBHRJI-APIJFGDWSA-N 1 3 310.442 0.618 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000851688612 671015108 /nfs/dbraw/zinc/01/51/08/671015108.db2.gz DTDWWPXNTQJMLO-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000851691033 671016587 /nfs/dbraw/zinc/01/65/87/671016587.db2.gz JLJHWSPBWYYDRR-WMLDXEAASA-N 1 3 322.453 0.189 20 0 DCADHO CON(C)C(=O)CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000819174789 671100055 /nfs/dbraw/zinc/10/00/55/671100055.db2.gz RHGVMFVSFGJKCO-GJZGRUSLSA-N 1 3 313.442 0.754 20 0 DCADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790256 671955447 /nfs/dbraw/zinc/95/54/47/671955447.db2.gz BETWEPTZBUHIGI-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790256 671955450 /nfs/dbraw/zinc/95/54/50/671955450.db2.gz BETWEPTZBUHIGI-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO CC1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000841791210 671956328 /nfs/dbraw/zinc/95/63/28/671956328.db2.gz POEKEBAGWACFLO-KBPBESRZSA-N 1 3 310.442 0.539 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842016382 671974578 /nfs/dbraw/zinc/97/45/78/671974578.db2.gz UZLFCTITTRLPPQ-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842016055 671974745 /nfs/dbraw/zinc/97/47/45/671974745.db2.gz RBBHAOCEGFUZLJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842097846 671982048 /nfs/dbraw/zinc/98/20/48/671982048.db2.gz OGKZKSUSCUWLGO-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842174406 671989097 /nfs/dbraw/zinc/98/90/97/671989097.db2.gz FEDHHQSLIXICDU-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCO1 ZINC000843385933 672090508 /nfs/dbraw/zinc/09/05/08/672090508.db2.gz AARACFGIWDDOPX-PMPSAXMXSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)CCN1CCN(C(=O)CCCC[NH+]2CCCC2)CC1=O ZINC000846356602 672309757 /nfs/dbraw/zinc/30/97/57/672309757.db2.gz HYJIXOADTZSCPT-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679898 672336375 /nfs/dbraw/zinc/33/63/75/672336375.db2.gz HRFRXRCLVLOTKE-LXZKKBNFSA-N 1 3 301.390 0.226 20 0 DCADHO C[C@H](C(=O)NC1CCC([NH2+]CC(N)=O)CC1)N1CCCCCC1 ZINC001026571669 693873032 /nfs/dbraw/zinc/87/30/32/693873032.db2.gz GWJPDICOXATPRG-WLYUNCDWSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000961771499 688728559 /nfs/dbraw/zinc/72/85/59/688728559.db2.gz JVLWFXPXOKDDGT-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC000961771499 688728561 /nfs/dbraw/zinc/72/85/61/688728561.db2.gz JVLWFXPXOKDDGT-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC1CC(CNCc2nccn2C)C1 ZINC000962305899 688878613 /nfs/dbraw/zinc/87/86/13/688878613.db2.gz NIKGODJALIYUQY-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC1CC(CNCc2nccn2C)C1 ZINC000962305899 688878615 /nfs/dbraw/zinc/87/86/15/688878615.db2.gz NIKGODJALIYUQY-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000962400966 688901169 /nfs/dbraw/zinc/90/11/69/688901169.db2.gz BKQPNDDETZLXMS-BCUIYNNISA-N 1 3 304.394 0.344 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000962400966 688901173 /nfs/dbraw/zinc/90/11/73/688901173.db2.gz BKQPNDDETZLXMS-BCUIYNNISA-N 1 3 304.394 0.344 20 0 DCADHO O=C(NC1CC(CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000962540865 688936029 /nfs/dbraw/zinc/93/60/29/688936029.db2.gz KVXAIPMSEVEUTG-UHFFFAOYSA-N 1 3 321.450 0.618 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000962707364 688968777 /nfs/dbraw/zinc/96/87/77/688968777.db2.gz FSWGSEVAZFBSAP-OWYJLGKBSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000962707364 688968780 /nfs/dbraw/zinc/96/87/80/688968780.db2.gz FSWGSEVAZFBSAP-OWYJLGKBSA-N 1 3 305.426 0.356 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCOCC2)C1 ZINC001039027255 694278095 /nfs/dbraw/zinc/27/80/95/694278095.db2.gz JIOJYIMRRPQSJG-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCOCC2)C1 ZINC001039027255 694278100 /nfs/dbraw/zinc/27/81/00/694278100.db2.gz JIOJYIMRRPQSJG-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965932979 689586505 /nfs/dbraw/zinc/58/65/05/689586505.db2.gz GRIALDJZVVMTAG-LETWWHAPSA-N 1 3 309.454 0.870 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000967839373 690099723 /nfs/dbraw/zinc/09/97/23/690099723.db2.gz HABNHJLPKVBBLP-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000967839373 690099725 /nfs/dbraw/zinc/09/97/25/690099725.db2.gz HABNHJLPKVBBLP-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000968728729 690380315 /nfs/dbraw/zinc/38/03/15/690380315.db2.gz WFUCLDGBPTVHPY-DAXOMENPSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000968728729 690380318 /nfs/dbraw/zinc/38/03/18/690380318.db2.gz WFUCLDGBPTVHPY-DAXOMENPSA-N 1 3 317.437 0.816 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1)C1CCC1 ZINC000968921935 690425314 /nfs/dbraw/zinc/42/53/14/690425314.db2.gz NLWUEKXMAMATJS-CQSZACIVSA-N 1 3 305.426 0.558 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC000969077266 690464561 /nfs/dbraw/zinc/46/45/61/690464561.db2.gz NQRJVQOMEWWPTD-HZSPNIEDSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007993074 690785055 /nfs/dbraw/zinc/78/50/55/690785055.db2.gz YNBNURZAXJWOKJ-GYMHETDLSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007993074 690785058 /nfs/dbraw/zinc/78/50/58/690785058.db2.gz YNBNURZAXJWOKJ-GYMHETDLSA-N 1 3 307.438 0.839 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](C[C@@H](C)O)CC2 ZINC001016949981 692811208 /nfs/dbraw/zinc/81/12/08/692811208.db2.gz IAFDJROULNCCFD-BXUZGUMPSA-N 1 3 306.410 0.612 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001018938470 693288919 /nfs/dbraw/zinc/28/89/19/693288919.db2.gz PNAWAPKFVYHADK-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001018938470 693288926 /nfs/dbraw/zinc/28/89/26/693288926.db2.gz PNAWAPKFVYHADK-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001019386149 693458157 /nfs/dbraw/zinc/45/81/57/693458157.db2.gz FOJWBBTUUNWAFG-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC001019469946 693483571 /nfs/dbraw/zinc/48/35/71/693483571.db2.gz VXUMYLOLOIGMDT-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659770 693558506 /nfs/dbraw/zinc/55/85/06/693558506.db2.gz LFDAORRRQSHOKA-ZDUSSCGKSA-N 1 3 303.410 0.206 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CCO)CC2)C1CC1 ZINC001040729611 694601284 /nfs/dbraw/zinc/60/12/84/694601284.db2.gz KCIIQUFKQXHNRJ-HNNXBMFYSA-N 1 3 309.454 0.633 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)[C@@H]1C)N(C)C ZINC001074710894 694918371 /nfs/dbraw/zinc/91/83/71/694918371.db2.gz JXZPGGOILSHHDW-BYNSBNAKSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C)N(C)C ZINC001074709827 694918420 /nfs/dbraw/zinc/91/84/20/694918420.db2.gz RZKUHIKDIGASPY-SOUVJXGZSA-N 1 3 307.442 0.802 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076712637 695040049 /nfs/dbraw/zinc/04/00/49/695040049.db2.gz CTDGISAPMYUBDG-ZIAGYGMSSA-N 1 3 314.345 0.157 20 0 DCADHO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076712637 695040050 /nfs/dbraw/zinc/04/00/50/695040050.db2.gz CTDGISAPMYUBDG-ZIAGYGMSSA-N 1 3 314.345 0.157 20 0 DCADHO CCN1CCC[C@H]1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000129592188 1157651654 /nfs/dbraw/zinc/65/16/54/1157651654.db2.gz CCPDABQUPIBSHF-INIZCTEOSA-N 1 3 318.469 0.802 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNCc1cnc(N2CCN(C)CC2)nc1 ZINC000129592188 1157651659 /nfs/dbraw/zinc/65/16/59/1157651659.db2.gz CCPDABQUPIBSHF-INIZCTEOSA-N 1 3 318.469 0.802 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNCc1cnc(N2CCN(C)CC2)nc1 ZINC000129592188 1157651662 /nfs/dbraw/zinc/65/16/62/1157651662.db2.gz CCPDABQUPIBSHF-INIZCTEOSA-N 1 3 318.469 0.802 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]1CNCCN1C)[NH+]1CCC(C)CC1 ZINC001648966349 1158192677 /nfs/dbraw/zinc/19/26/77/1158192677.db2.gz YYZWSDAVCGSGSE-HOTGVXAUSA-N 1 3 310.486 0.763 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001649084765 1158634524 /nfs/dbraw/zinc/63/45/24/1158634524.db2.gz HBGDFOFZXKOTAD-KGLIPLIRSA-N 1 3 323.437 0.661 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001445956971 1159324409 /nfs/dbraw/zinc/32/44/09/1159324409.db2.gz RHAUVMOVWCVAJM-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001447183228 1159598269 /nfs/dbraw/zinc/59/82/69/1159598269.db2.gz OIDVRDTYDIKOOG-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001447183228 1159598277 /nfs/dbraw/zinc/59/82/77/1159598277.db2.gz OIDVRDTYDIKOOG-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001447576181 1159664441 /nfs/dbraw/zinc/66/44/41/1159664441.db2.gz XUJUGXGQSSMLLL-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448076846 1159715182 /nfs/dbraw/zinc/71/51/82/1159715182.db2.gz HQRQCIMHDYLNFI-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C(C)C ZINC001456798769 1159761868 /nfs/dbraw/zinc/76/18/68/1159761868.db2.gz DSWRGUPXWGTMJJ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C(C)C ZINC001456798769 1159761874 /nfs/dbraw/zinc/76/18/74/1159761874.db2.gz DSWRGUPXWGTMJJ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@@H]1CCCN(C)C1=O ZINC001566574880 1160072502 /nfs/dbraw/zinc/07/25/02/1160072502.db2.gz LOPVLWJQLKXHKE-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@@H]1CCCN(C)C1=O ZINC001566574880 1160072511 /nfs/dbraw/zinc/07/25/11/1160072511.db2.gz LOPVLWJQLKXHKE-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001567107261 1160243465 /nfs/dbraw/zinc/24/34/65/1160243465.db2.gz ZDQOJKCYSYMWCP-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCNCC(=O)N1CCCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001567550562 1160417489 /nfs/dbraw/zinc/41/74/89/1160417489.db2.gz FAWXFAPCOSRHGF-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCNCC(=O)N1CCC1)C(=O)CCC[NH+]1CCCC1 ZINC001567611930 1160440428 /nfs/dbraw/zinc/44/04/28/1160440428.db2.gz ZDLYJSWPZVJTLG-UHFFFAOYSA-N 1 3 310.442 0.143 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC(N)=O)C1 ZINC001568393730 1160639882 /nfs/dbraw/zinc/63/98/82/1160639882.db2.gz RHCUOKCKRVYGBW-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO Cc1nccnc1CNCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569267069 1160998058 /nfs/dbraw/zinc/99/80/58/1160998058.db2.gz MBCDWACTSVATCP-AWEZNQCLSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1nccnc1CNCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001569267069 1160998063 /nfs/dbraw/zinc/99/80/63/1160998063.db2.gz MBCDWACTSVATCP-AWEZNQCLSA-N 1 3 305.426 0.675 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N(CCO)CCNC/C=C\Cl ZINC001569932742 1161329801 /nfs/dbraw/zinc/32/98/01/1161329801.db2.gz AYCSENFFEVLFOO-YZUOEBHYSA-N 1 3 315.845 0.491 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001570005770 1161378974 /nfs/dbraw/zinc/37/89/74/1161378974.db2.gz NLYKBAWLEQVIBF-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)C1 ZINC001574000461 1163620731 /nfs/dbraw/zinc/62/07/31/1163620731.db2.gz CVTKKNQPJJIQDJ-YIYPIFLZSA-N 1 3 313.467 0.402 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2c[nH]nn2)C1 ZINC001575384843 1163995567 /nfs/dbraw/zinc/99/55/67/1163995567.db2.gz FKXOUUAQUQOEMZ-ZFWWWQNUSA-N 1 3 320.441 0.616 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2c[nH]nn2)C1 ZINC001575384843 1163995574 /nfs/dbraw/zinc/99/55/74/1163995574.db2.gz FKXOUUAQUQOEMZ-ZFWWWQNUSA-N 1 3 320.441 0.616 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1c[nH]nn1)[NH+]1CCCC1 ZINC001575556655 1164060163 /nfs/dbraw/zinc/06/01/63/1164060163.db2.gz ZOUBPDQJWYAPDV-ZFWWWQNUSA-N 1 3 322.457 0.862 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC001575962077 1164195071 /nfs/dbraw/zinc/19/50/71/1164195071.db2.gz KXCKGFRGOKZHPT-RYUDHWBXSA-N 1 3 321.416 0.294 20 0 DCADHO CC1(C)CCN(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC001576439801 1164344060 /nfs/dbraw/zinc/34/40/60/1164344060.db2.gz GUNOFHUSXLBYMT-UHFFFAOYSA-N 1 3 320.441 0.664 20 0 DCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001576754926 1164452563 /nfs/dbraw/zinc/45/25/63/1164452563.db2.gz VVHPSSGMZJDTQY-STQMWFEESA-N 1 3 313.442 0.946 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001576754923 1164452913 /nfs/dbraw/zinc/45/29/13/1164452913.db2.gz VVHPSSGMZJDTQY-CHWSQXEVSA-N 1 3 313.442 0.946 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1([C@@]2(O)CCC[NH2+]C2)CCC1 ZINC001576797217 1164467216 /nfs/dbraw/zinc/46/72/16/1164467216.db2.gz AYKUYGHZKUWZRB-DDUZABMNSA-N 1 3 321.465 0.870 20 0 DCADHO C[C@H]1COCCN1CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC001576852737 1164495657 /nfs/dbraw/zinc/49/56/57/1164495657.db2.gz FFWAKXXIJAMLRA-LSDHHAIUSA-N 1 3 312.458 0.027 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CCN(Cc3c[nH]nn3)C2)C1 ZINC001576884086 1164515469 /nfs/dbraw/zinc/51/54/69/1164515469.db2.gz QURLXCPOKGJUDT-KGLIPLIRSA-N 1 3 320.441 0.475 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CCN(Cc3c[nH]nn3)C2)C1 ZINC001576884086 1164515473 /nfs/dbraw/zinc/51/54/73/1164515473.db2.gz QURLXCPOKGJUDT-KGLIPLIRSA-N 1 3 320.441 0.475 20 0 DCADHO CCN(CCO)CCNC(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC001577725868 1164775609 /nfs/dbraw/zinc/77/56/09/1164775609.db2.gz SSEFXFHXZPMEDB-UHFFFAOYSA-N 1 3 310.398 0.186 20 0 DCADHO C[NH+](C)C[C@@]1(O)CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC001578412198 1165005087 /nfs/dbraw/zinc/00/50/87/1165005087.db2.gz IAHYGCGATYDLDF-RDJZCZTQSA-N 1 3 303.406 0.746 20 0 DCADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3CC[NH2+]3)ccc2[nH]c1=O ZINC001578418571 1165008665 /nfs/dbraw/zinc/00/86/65/1165008665.db2.gz BQIHNGNZCNAACT-GFCCVEGCSA-N 1 3 317.393 0.395 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)Cc1ccncc1 ZINC001578466481 1165023987 /nfs/dbraw/zinc/02/39/87/1165023987.db2.gz OGUOVPJUYNUXPV-ZSHCYNCHSA-N 1 3 302.422 0.827 20 0 DCADHO CN(C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CCN(C)CC1 ZINC001578525360 1165043411 /nfs/dbraw/zinc/04/34/11/1165043411.db2.gz WXJXYUXRTDSSFX-CYBMUJFWSA-N 1 3 306.414 0.369 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@H]([NH3+])CC(F)(F)F)CC1 ZINC001578529682 1165046471 /nfs/dbraw/zinc/04/64/71/1165046471.db2.gz XDCOVCGFWAQWJK-VXGBXAGGSA-N 1 3 322.375 0.505 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001578528801 1165047661 /nfs/dbraw/zinc/04/76/61/1165047661.db2.gz LNFHALHWRBZCPL-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@H]4N)C[C@@H]2C1 ZINC001578541107 1165052185 /nfs/dbraw/zinc/05/21/85/1165052185.db2.gz PMCMFJRQNDPADF-FRRDWIJNSA-N 1 3 303.410 0.700 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@H]4N)C[C@@H]2C1 ZINC001578541107 1165052187 /nfs/dbraw/zinc/05/21/87/1165052187.db2.gz PMCMFJRQNDPADF-FRRDWIJNSA-N 1 3 303.410 0.700 20 0 DCADHO C[NH2+]C[C@H](O)CN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001578645945 1165075997 /nfs/dbraw/zinc/07/59/97/1165075997.db2.gz ADTVIGDBFPMKHA-LSDHHAIUSA-N 1 3 308.426 0.511 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC001578647224 1165077814 /nfs/dbraw/zinc/07/78/14/1165077814.db2.gz URFSDQIKLDZPSE-KBMXLJTQSA-N 1 3 307.438 0.930 20 0 DCADHO CO[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC001579126334 1165216671 /nfs/dbraw/zinc/21/66/71/1165216671.db2.gz SLFRICNPYMWJLC-ZIAGYGMSSA-N 1 3 313.423 0.013 20 0 DCADHO Cn1ncc(C2CC2)c1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001579998721 1165467040 /nfs/dbraw/zinc/46/70/40/1165467040.db2.gz VKZXTICBHKJVRI-ZDUSSCGKSA-N 1 3 305.426 0.584 20 0 DCADHO N[C@H](C[NH2+]C[C@@]1(CO)COC[C@@H]2CCCN21)CC(F)(F)F ZINC001580131652 1165513674 /nfs/dbraw/zinc/51/36/74/1165513674.db2.gz GJPHQCWDBBWVPD-SDDRHHMPSA-N 1 3 311.348 0.081 20 0 DCADHO [NH3+][C@H](CNC[C@@]1(CO)COC[C@@H]2CCCN21)CC(F)(F)F ZINC001580131652 1165513677 /nfs/dbraw/zinc/51/36/77/1165513677.db2.gz GJPHQCWDBBWVPD-SDDRHHMPSA-N 1 3 311.348 0.081 20 0 DCADHO Nc1nnc([C@@H]2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)o1 ZINC001580473076 1165614975 /nfs/dbraw/zinc/61/49/75/1165614975.db2.gz MKIAZARJTFOWCV-JMSVASOKSA-N 1 3 307.398 0.600 20 0 DCADHO O=C([C@@H]1CCN1C1CCCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001580482999 1165616988 /nfs/dbraw/zinc/61/69/88/1165616988.db2.gz ACUXHWISEVAZJD-HOTGVXAUSA-N 1 3 306.454 0.509 20 0 DCADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C2)nn1 ZINC001646496131 1172404955 /nfs/dbraw/zinc/40/49/55/1172404955.db2.gz PNMPHLZUXKJEGQ-PMOUVXMZSA-N 1 3 307.398 0.178 20 0 DCADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C2)nn1 ZINC001646496131 1172404959 /nfs/dbraw/zinc/40/49/59/1172404959.db2.gz PNMPHLZUXKJEGQ-PMOUVXMZSA-N 1 3 307.398 0.178 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)NC[C@@H]1CCCCC[NH2+]1 ZINC001646522384 1172413164 /nfs/dbraw/zinc/41/31/64/1172413164.db2.gz OLYPPCVVWYVTAU-KKUMJFAQSA-N 1 3 310.442 0.681 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001646792623 1172535279 /nfs/dbraw/zinc/53/52/79/1172535279.db2.gz XEGKPEJKEPAJLT-CVEARBPZSA-N 1 3 317.433 0.831 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001650187331 1173506676 /nfs/dbraw/zinc/50/66/76/1173506676.db2.gz ZCSLDNFYFABQBY-QLFBSQMISA-N 1 3 309.458 0.158 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001650338874 1173576248 /nfs/dbraw/zinc/57/62/48/1173576248.db2.gz DSFPNJIEJHFKIQ-BLLLJJGKSA-N 1 3 313.442 0.105 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc21 ZINC001650346493 1173583872 /nfs/dbraw/zinc/58/38/72/1173583872.db2.gz JCLVXOQBUXZEPM-OIBJUYFYSA-N 1 3 305.304 0.686 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CC[NH+](CCCCCO)CC1 ZINC001654387774 1173805387 /nfs/dbraw/zinc/80/53/87/1173805387.db2.gz LNNUXNOHOCYYQM-QGZVFWFLSA-N 1 3 313.486 0.735 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001662712909 1174235547 /nfs/dbraw/zinc/23/55/47/1174235547.db2.gz WLHWNOZKDLHZNR-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001666482474 1174605296 /nfs/dbraw/zinc/60/52/96/1174605296.db2.gz QKKNSYMRWSRNGA-MRXNPFEDSA-N 1 3 319.453 0.639 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCn1cccn1)N(C)C ZINC001667032798 1174656632 /nfs/dbraw/zinc/65/66/32/1174656632.db2.gz DQZRCBZILSOJDF-GJZGRUSLSA-N 1 3 309.458 0.906 20 0 DCADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001667694315 1174703245 /nfs/dbraw/zinc/70/32/45/1174703245.db2.gz MTLVAXVVSCLESC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnnn1C ZINC001668318710 1174782752 /nfs/dbraw/zinc/78/27/52/1174782752.db2.gz BMVSGPCUGAMIOG-DZGCQCFKSA-N 1 3 322.457 0.674 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001669001210 1174875723 /nfs/dbraw/zinc/87/57/23/1174875723.db2.gz MPHVKKWZCJBSSF-FWWRYZNZSA-N 1 3 310.442 0.067 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CCn2cncn2)C1 ZINC001671816310 1175039591 /nfs/dbraw/zinc/03/95/91/1175039591.db2.gz WXSQDELFOAAJEV-MRXNPFEDSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNC/C=C\Cl)CC[N@@H+]1C ZINC001672621607 1175133887 /nfs/dbraw/zinc/13/38/87/1175133887.db2.gz RBNUWQXUBLQLQG-UNIPXTFRSA-N 1 3 303.834 0.490 20 0 DCADHO COCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001675599300 1175377665 /nfs/dbraw/zinc/37/76/65/1175377665.db2.gz LVQNIOUUZUQHFZ-UKRRQHHQSA-N 1 3 313.442 0.323 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCNC(=O)C1CC1 ZINC001676424304 1175445191 /nfs/dbraw/zinc/44/51/91/1175445191.db2.gz OVVVDLSEZVEXAS-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)[C@H](C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1)C1CC1 ZINC000134113246 1177529109 /nfs/dbraw/zinc/52/91/09/1177529109.db2.gz SHXMHRLRWFCGCS-MRXNPFEDSA-N 1 3 318.469 0.658 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCn1cncn1 ZINC001698748055 1177631927 /nfs/dbraw/zinc/63/19/27/1177631927.db2.gz HKTUKPNZACCDML-CYBMUJFWSA-N 1 3 308.430 0.104 20 0 DCADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1CC[NH2+]CC(N)=O ZINC001707131309 1180420927 /nfs/dbraw/zinc/42/09/27/1180420927.db2.gz FAFNKTPQDXEHGS-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCO)C1 ZINC001707167456 1180426662 /nfs/dbraw/zinc/42/66/62/1180426662.db2.gz UIXZIGLTPKQAGZ-PMPSAXMXSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001713027762 1180636064 /nfs/dbraw/zinc/63/60/64/1180636064.db2.gz GXDNYLLJBVDWSM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001713027762 1180636067 /nfs/dbraw/zinc/63/60/67/1180636067.db2.gz GXDNYLLJBVDWSM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC[NH2+]Cc1ccc(CO)cc1)C(=O)[C@H]1CCCN1C ZINC001713578634 1180936492 /nfs/dbraw/zinc/93/64/92/1180936492.db2.gz SNCKVAPCSZTHKQ-MRXNPFEDSA-N 1 3 305.422 0.821 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001714314073 1181317533 /nfs/dbraw/zinc/31/75/33/1181317533.db2.gz BOQSYIFDCSKXPV-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC001714562868 1181417823 /nfs/dbraw/zinc/41/78/23/1181417823.db2.gz MSKHTFTXOBRFAX-ZFWWWQNUSA-N 1 3 307.442 0.493 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001714882130 1181584227 /nfs/dbraw/zinc/58/42/27/1181584227.db2.gz GUMWDBKIOJLHOO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001716007926 1182144035 /nfs/dbraw/zinc/14/40/35/1182144035.db2.gz DGTOHLQDQKCCOE-GOEBONIOSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@H](F)CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001716097166 1182188712 /nfs/dbraw/zinc/18/87/12/1182188712.db2.gz NEDBDZSDOLTAOF-QWHCGFSZSA-N 1 3 303.422 0.676 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001716173731 1182232786 /nfs/dbraw/zinc/23/27/86/1182232786.db2.gz DNEJMBTUJGXMKD-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO CCN(CCNCc1ccnc(OC)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716254096 1182279046 /nfs/dbraw/zinc/27/90/46/1182279046.db2.gz UNIZOLOIPUOHHB-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO CCN(CCNCc1ccnc(OC)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716254096 1182279050 /nfs/dbraw/zinc/27/90/50/1182279050.db2.gz UNIZOLOIPUOHHB-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001716368862 1182360792 /nfs/dbraw/zinc/36/07/92/1182360792.db2.gz AOHVKNGRJRJCDH-FEJRJVMZSA-N 1 3 318.421 0.949 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001716378855 1182366381 /nfs/dbraw/zinc/36/63/81/1182366381.db2.gz MNPOMCDZTMQZNL-YVACAVLKSA-N 1 3 324.469 0.601 20 0 DCADHO C[C@@H](C[NH2+]CCn1cncn1)NC(=O)CN(C)CC(C)(C)C ZINC001716452822 1182396095 /nfs/dbraw/zinc/39/60/95/1182396095.db2.gz OQZWNEMDSCLXQS-ZDUSSCGKSA-N 1 3 310.446 0.350 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001716627000 1182469960 /nfs/dbraw/zinc/46/99/60/1182469960.db2.gz OVNYRFIBQRAUEC-CQSZACIVSA-N 1 3 317.397 0.037 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001717185528 1182717920 /nfs/dbraw/zinc/71/79/20/1182717920.db2.gz BZHQYQCEAYFLJP-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001720288170 1183550377 /nfs/dbraw/zinc/55/03/77/1183550377.db2.gz PGPPKLCBWBVWDP-CHWSQXEVSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001720288170 1183550380 /nfs/dbraw/zinc/55/03/80/1183550380.db2.gz PGPPKLCBWBVWDP-CHWSQXEVSA-N 1 3 321.425 0.223 20 0 DCADHO CCn1nncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001722990535 1184242001 /nfs/dbraw/zinc/24/20/01/1184242001.db2.gz LPBWTRPTEJWXGS-AWEZNQCLSA-N 1 3 308.430 0.330 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001723045987 1184253861 /nfs/dbraw/zinc/25/38/61/1184253861.db2.gz MYKKZFMOAWUSAK-KBPBESRZSA-N 1 3 314.474 0.487 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001724752325 1184542205 /nfs/dbraw/zinc/54/22/05/1184542205.db2.gz VELMGUBANNAPNZ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001731654050 1185430991 /nfs/dbraw/zinc/43/09/91/1185430991.db2.gz QUPMCHBLNGNSEQ-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO COCCOCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001732175566 1185721748 /nfs/dbraw/zinc/72/17/48/1185721748.db2.gz IVKOBVWEVLTXKS-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001732175566 1185721752 /nfs/dbraw/zinc/72/17/52/1185721752.db2.gz IVKOBVWEVLTXKS-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccnn1C)N(C)C ZINC001732726687 1185938569 /nfs/dbraw/zinc/93/85/69/1185938569.db2.gz PIJOMNBTLJZUCY-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO C[C@H](CC[NH2+]CCO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001732729096 1185939844 /nfs/dbraw/zinc/93/98/44/1185939844.db2.gz RUJOVIMRWQLIHH-DOMZBBRYSA-N 1 3 303.422 0.676 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001733091515 1186132971 /nfs/dbraw/zinc/13/29/71/1186132971.db2.gz HCTKPQKWVHJWJB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001733145436 1186161432 /nfs/dbraw/zinc/16/14/32/1186161432.db2.gz RAMNOSZIKFVQRK-UHFFFAOYSA-N 1 3 322.453 0.664 20 0 DCADHO Cn1ccc(CNCC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001733675920 1186396358 /nfs/dbraw/zinc/39/63/58/1186396358.db2.gz DSXHDMNYSRLSGA-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNCC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001733675920 1186396361 /nfs/dbraw/zinc/39/63/61/1186396361.db2.gz DSXHDMNYSRLSGA-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H](CNCCF)C1 ZINC001733739410 1186424266 /nfs/dbraw/zinc/42/42/66/1186424266.db2.gz MCPFQCQIFXRLJJ-KBPBESRZSA-N 1 3 301.406 0.647 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H](CNCCF)C1 ZINC001733739410 1186424269 /nfs/dbraw/zinc/42/42/69/1186424269.db2.gz MCPFQCQIFXRLJJ-KBPBESRZSA-N 1 3 301.406 0.647 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733853104 1186475489 /nfs/dbraw/zinc/47/54/89/1186475489.db2.gz XMUIGPOSVQPEIL-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO COCCOCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001733855935 1186477659 /nfs/dbraw/zinc/47/76/59/1186477659.db2.gz WHZQPVROBPSFEU-OCCSQVGLSA-N 1 3 310.398 0.052 20 0 DCADHO C[C@@H](CCC[NH2+]Cc1cnnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001734252377 1186593311 /nfs/dbraw/zinc/59/33/11/1186593311.db2.gz HUHIEVLALMOUDJ-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001742878070 1188070649 /nfs/dbraw/zinc/07/06/49/1188070649.db2.gz GREJGCXIDJQQAU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001742878070 1188070655 /nfs/dbraw/zinc/07/06/55/1188070655.db2.gz GREJGCXIDJQQAU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001753040469 1188481721 /nfs/dbraw/zinc/48/17/21/1188481721.db2.gz XYZKGLZEQQQJDE-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(N)=O ZINC001753040469 1188481723 /nfs/dbraw/zinc/48/17/23/1188481723.db2.gz XYZKGLZEQQQJDE-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CN(C)C1(C(=O)N2CCC(CC[NH2+]CC(N)=O)CC2)CCC1 ZINC001753567913 1188619067 /nfs/dbraw/zinc/61/90/67/1188619067.db2.gz PPFSOLVXIMKINU-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001753965694 1188698902 /nfs/dbraw/zinc/69/89/02/1188698902.db2.gz GSFLYRVTONVLQQ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCCO ZINC001754350785 1188827630 /nfs/dbraw/zinc/82/76/30/1188827630.db2.gz FQTKYDVMHREULB-KBPBESRZSA-N 1 3 308.426 0.908 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001754395518 1188843633 /nfs/dbraw/zinc/84/36/33/1188843633.db2.gz GUOBPNGHUQVSCE-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001754941863 1188977354 /nfs/dbraw/zinc/97/73/54/1188977354.db2.gz CVQABIWRRPMZLX-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)NC1(C[NH2+]CCO)CCOCC1)CC(C)(C)C ZINC001755099130 1189022823 /nfs/dbraw/zinc/02/28/23/1189022823.db2.gz RWCZFIYZFKSGOL-UHFFFAOYSA-N 1 3 315.458 0.212 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+]CCCF)CC1 ZINC001755155772 1189039293 /nfs/dbraw/zinc/03/92/93/1189039293.db2.gz HZQVQGUGABMDKG-UHFFFAOYSA-N 1 3 303.422 0.629 20 0 DCADHO CN(C[C@H](O)C[NH2+]CC1=CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001755789990 1189214143 /nfs/dbraw/zinc/21/41/43/1189214143.db2.gz YQTCQYTYWWESAW-OAHLLOKOSA-N 1 3 306.410 0.862 20 0 DCADHO CCCCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001755865154 1189239174 /nfs/dbraw/zinc/23/91/74/1189239174.db2.gz RPPVKEKZWQPNMD-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCCN1C ZINC001772431402 1190680413 /nfs/dbraw/zinc/68/04/13/1190680413.db2.gz HBBWPULKBWBDQP-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CCCCN3CCO)[C@@H]2C1 ZINC001772437471 1190683721 /nfs/dbraw/zinc/68/37/21/1190683721.db2.gz VLXDSMXOBCKOON-JONQDZQNSA-N 1 3 324.469 0.473 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CCCCN3CCO)[C@@H]2C1 ZINC001772437471 1190683725 /nfs/dbraw/zinc/68/37/25/1190683725.db2.gz VLXDSMXOBCKOON-JONQDZQNSA-N 1 3 324.469 0.473 20 0 DCADHO Nc1cc[nH+]c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745697 720607249 /nfs/dbraw/zinc/60/72/49/720607249.db2.gz VOLOMGGNGNSGIR-KGLIPLIRSA-N 1 3 312.377 0.796 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643833 751601427 /nfs/dbraw/zinc/60/14/27/751601427.db2.gz NEVUYQHSGMOMEX-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127643833 751601431 /nfs/dbraw/zinc/60/14/31/751601431.db2.gz NEVUYQHSGMOMEX-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC001167240754 747036050 /nfs/dbraw/zinc/03/60/50/747036050.db2.gz RMKGUNAKJNQMAX-CYBMUJFWSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248542 747422715 /nfs/dbraw/zinc/42/27/15/747422715.db2.gz MHJAYKZDGPWVFV-OWCLPIDISA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248542 747422723 /nfs/dbraw/zinc/42/27/23/747422723.db2.gz MHJAYKZDGPWVFV-OWCLPIDISA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C)C(N)=O ZINC001167634056 747439220 /nfs/dbraw/zinc/43/92/20/747439220.db2.gz DKQAHZGFBJZXNU-UONOGXRCSA-N 1 3 312.458 0.609 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167636267 747439909 /nfs/dbraw/zinc/43/99/09/747439909.db2.gz QQKSPXHVOVFJIU-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001087245670 747518479 /nfs/dbraw/zinc/51/84/79/747518479.db2.gz DPWIUGRIUSZOCX-ILXRZTDVSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001087259228 747572438 /nfs/dbraw/zinc/57/24/38/747572438.db2.gz FVOZQLULCYYUEG-AAEUAGOBSA-N 1 3 321.425 0.494 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001087259228 747572443 /nfs/dbraw/zinc/57/24/43/747572443.db2.gz FVOZQLULCYYUEG-AAEUAGOBSA-N 1 3 321.425 0.494 20 0 DCADHO COc1cc(C)nc(N2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC001207442381 747854158 /nfs/dbraw/zinc/85/41/58/747854158.db2.gz ZCYAFCFNMWVOFW-UHFFFAOYSA-N 1 3 305.426 0.915 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001077664337 752256923 /nfs/dbraw/zinc/25/69/23/752256923.db2.gz YSROEHJEGVGMLQ-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001077664337 752256929 /nfs/dbraw/zinc/25/69/29/752256929.db2.gz YSROEHJEGVGMLQ-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1 ZINC001167815034 748367901 /nfs/dbraw/zinc/36/79/01/748367901.db2.gz MJGIBVQDPCHICX-UHFFFAOYSA-N 1 3 322.457 0.533 20 0 DCADHO CCOC(=O)c1cc(NC(=N)NCCCC[NH3+])nnc1OCC ZINC001167880420 748459905 /nfs/dbraw/zinc/45/99/05/748459905.db2.gz MJSKISDXHSWMAI-UHFFFAOYSA-N 1 3 324.385 0.727 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083524206 750096860 /nfs/dbraw/zinc/09/68/60/750096860.db2.gz MFAYPFHYBWWQQW-XHSDSOJGSA-N 1 3 309.454 0.821 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083524206 750096869 /nfs/dbraw/zinc/09/68/69/750096869.db2.gz MFAYPFHYBWWQQW-XHSDSOJGSA-N 1 3 309.454 0.821 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C)N(C)C ZINC001077151255 750231288 /nfs/dbraw/zinc/23/12/88/750231288.db2.gz KQYCAXDVZPXOCG-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCN1CCO ZINC001089058953 750781621 /nfs/dbraw/zinc/78/16/21/750781621.db2.gz RDICDBJBBPRGOD-CJNGLKHVSA-N 1 3 305.422 0.933 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)NCC1CC1 ZINC001127254403 750928433 /nfs/dbraw/zinc/92/84/33/750928433.db2.gz FCKHLPAVXRIARV-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)NCC1CC1 ZINC001127254403 750928437 /nfs/dbraw/zinc/92/84/37/750928437.db2.gz FCKHLPAVXRIARV-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255666 750937048 /nfs/dbraw/zinc/93/70/48/750937048.db2.gz KNYNACCFQYRCIG-UONOGXRCSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255666 750937049 /nfs/dbraw/zinc/93/70/49/750937049.db2.gz KNYNACCFQYRCIG-UONOGXRCSA-N 1 3 305.426 0.500 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)C(C)(C)[NH+]2CCCCC2)C1=O ZINC001127321672 751109661 /nfs/dbraw/zinc/10/96/61/751109661.db2.gz CJOFFIVPCFVLMO-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001106597574 751200380 /nfs/dbraw/zinc/20/03/80/751200380.db2.gz AQZVPBQSQZJGOQ-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203523829 751304578 /nfs/dbraw/zinc/30/45/78/751304578.db2.gz SLORTTDGXWYOTL-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044745126 752856586 /nfs/dbraw/zinc/85/65/86/752856586.db2.gz SBLJXLRZJFFVPR-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001045228123 753100458 /nfs/dbraw/zinc/10/04/58/753100458.db2.gz PUBPUXMXCJCLAL-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001045274638 753124778 /nfs/dbraw/zinc/12/47/78/753124778.db2.gz OTRMCGAMXRDERF-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001045274638 753124782 /nfs/dbraw/zinc/12/47/82/753124782.db2.gz OTRMCGAMXRDERF-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001045308982 753137737 /nfs/dbraw/zinc/13/77/37/753137737.db2.gz LQTZZYZHMTVVKI-HOCLYGCPSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001045308982 753137738 /nfs/dbraw/zinc/13/77/38/753137738.db2.gz LQTZZYZHMTVVKI-HOCLYGCPSA-N 1 3 319.453 0.761 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2)N1CCCC1 ZINC001078700019 753342766 /nfs/dbraw/zinc/34/27/66/753342766.db2.gz FLZDHVPTXXESPJ-OLZOCXBDSA-N 1 3 322.453 0.363 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001046891386 754003967 /nfs/dbraw/zinc/00/39/67/754003967.db2.gz IIGNNELQCIJPRU-XJKSGUPXSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001128773541 754269549 /nfs/dbraw/zinc/26/95/49/754269549.db2.gz AYJURQATXTUDFS-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001128773541 754269553 /nfs/dbraw/zinc/26/95/53/754269553.db2.gz AYJURQATXTUDFS-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128782848 754279948 /nfs/dbraw/zinc/27/99/48/754279948.db2.gz CKMRZNIKBIMTGH-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128782848 754279953 /nfs/dbraw/zinc/27/99/53/754279953.db2.gz CKMRZNIKBIMTGH-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001128783483 754284993 /nfs/dbraw/zinc/28/49/93/754284993.db2.gz HXPJUGPHKDXTCJ-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001128783483 754284999 /nfs/dbraw/zinc/28/49/99/754284999.db2.gz HXPJUGPHKDXTCJ-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001168755690 754426292 /nfs/dbraw/zinc/42/62/92/754426292.db2.gz PSPFTQIRMUKAFG-LLVKDONJSA-N 1 3 313.364 0.737 20 0 DCADHO C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047984003 754562712 /nfs/dbraw/zinc/56/27/12/754562712.db2.gz PRNWEVZJDAOGQS-CHWSQXEVSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986916 754563663 /nfs/dbraw/zinc/56/36/63/754563663.db2.gz GKJGRGGEYWGFJT-OCCSQVGLSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063798 754597778 /nfs/dbraw/zinc/59/77/78/754597778.db2.gz GDFZHLYDNPFSDX-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862794 754985093 /nfs/dbraw/zinc/98/50/93/754985093.db2.gz AHKUWLOCCMKDHV-ARLBYUKCSA-N 1 3 309.454 0.752 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862794 754985098 /nfs/dbraw/zinc/98/50/98/754985098.db2.gz AHKUWLOCCMKDHV-ARLBYUKCSA-N 1 3 309.454 0.752 20 0 DCADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079807276 756015842 /nfs/dbraw/zinc/01/58/42/756015842.db2.gz QDLDTBOWRJXHNE-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001054205404 756406023 /nfs/dbraw/zinc/40/60/23/756406023.db2.gz QJPUEIMDBCFXNK-MRXNPFEDSA-N 1 3 306.410 0.649 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001054205404 756406027 /nfs/dbraw/zinc/40/60/27/756406027.db2.gz QJPUEIMDBCFXNK-MRXNPFEDSA-N 1 3 306.410 0.649 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001054296424 756426391 /nfs/dbraw/zinc/42/63/91/756426391.db2.gz BZQKHJMAICZUMQ-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001055413306 756785545 /nfs/dbraw/zinc/78/55/45/756785545.db2.gz PWGHKKLPAIJXKR-GASCZTMLSA-N 1 3 324.469 0.197 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072481406 762512091 /nfs/dbraw/zinc/51/20/91/762512091.db2.gz QGQRUIVXYQQGCW-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cncn1C ZINC001082559894 757186242 /nfs/dbraw/zinc/18/62/42/757186242.db2.gz RWCOGOPVDWPEST-DAXOMENPSA-N 1 3 319.453 0.697 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001082589107 757195795 /nfs/dbraw/zinc/19/57/95/757195795.db2.gz ISRHHOWHQQUYII-BPLDGKMQSA-N 1 3 307.442 0.697 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001082747326 757235856 /nfs/dbraw/zinc/23/58/56/757235856.db2.gz MCINGEYXOACQCY-YUELXQCFSA-N 1 3 307.442 0.697 20 0 DCADHO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NCC1CN(C)C1 ZINC001170252080 762591256 /nfs/dbraw/zinc/59/12/56/762591256.db2.gz IMKPQYLUHWFERZ-CABCVRRESA-N 1 3 318.421 0.840 20 0 DCADHO CO[C@H](C)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778242 758038665 /nfs/dbraw/zinc/03/86/65/758038665.db2.gz MXACGFKOSYRNRW-RBSFLKMASA-N 1 3 307.438 0.650 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001051356863 758590022 /nfs/dbraw/zinc/59/00/22/758590022.db2.gz VIHHZRFLCFHHJA-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001051995402 759097714 /nfs/dbraw/zinc/09/77/14/759097714.db2.gz DFYGACMNXOIBAU-IAGOWNOFSA-N 1 3 320.481 0.709 20 0 DCADHO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573237 759501079 /nfs/dbraw/zinc/50/10/79/759501079.db2.gz WESRVWCFENUCIP-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573237 759501085 /nfs/dbraw/zinc/50/10/85/759501085.db2.gz WESRVWCFENUCIP-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)(C)n1cc(CNCCNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001147977666 767891708 /nfs/dbraw/zinc/89/17/08/767891708.db2.gz UPNJITMGNPXGKL-UHFFFAOYSA-N 1 3 319.453 0.940 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000113 767894117 /nfs/dbraw/zinc/89/41/17/767894117.db2.gz LAHMUJWISBFKQB-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001100084140 760189110 /nfs/dbraw/zinc/18/91/10/760189110.db2.gz XWGISINWLWOAQP-KBPBESRZSA-N 1 3 303.422 0.629 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001100084140 760189112 /nfs/dbraw/zinc/18/91/12/760189112.db2.gz XWGISINWLWOAQP-KBPBESRZSA-N 1 3 303.422 0.629 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148359787 767972463 /nfs/dbraw/zinc/97/24/63/767972463.db2.gz DGYDQKSXGODUPO-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CC(=O)N1CC[C@H](N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C)C1 ZINC001169509769 760701905 /nfs/dbraw/zinc/70/19/05/760701905.db2.gz IENLXEZIMFYWFW-STQMWFEESA-N 1 3 314.430 0.787 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001148570346 768015918 /nfs/dbraw/zinc/01/59/18/768015918.db2.gz BHGHSJPWEPJKPV-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001148570346 768015923 /nfs/dbraw/zinc/01/59/23/768015923.db2.gz BHGHSJPWEPJKPV-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001148578012 768019397 /nfs/dbraw/zinc/01/93/97/768019397.db2.gz NJGYYJPLKNJCEK-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001148578012 768019400 /nfs/dbraw/zinc/01/94/00/768019400.db2.gz NJGYYJPLKNJCEK-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001148642869 768022946 /nfs/dbraw/zinc/02/29/46/768022946.db2.gz ORBDJILKQNCIMG-UHFFFAOYSA-N 1 3 310.446 0.496 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001148655127 768024704 /nfs/dbraw/zinc/02/47/04/768024704.db2.gz IFRTYHXLVAKWHG-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC001148844527 768041483 /nfs/dbraw/zinc/04/14/83/768041483.db2.gz PKJYWFQYMWQPBA-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC001148844527 768041489 /nfs/dbraw/zinc/04/14/89/768041489.db2.gz PKJYWFQYMWQPBA-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131596 761515583 /nfs/dbraw/zinc/51/55/83/761515583.db2.gz GFCIIFPLSDSCDT-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131596 761515589 /nfs/dbraw/zinc/51/55/89/761515589.db2.gz GFCIIFPLSDSCDT-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086552072 761841917 /nfs/dbraw/zinc/84/19/17/761841917.db2.gz UWBGHOIEYQAXON-AVGNSLFASA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086552072 761841929 /nfs/dbraw/zinc/84/19/29/761841929.db2.gz UWBGHOIEYQAXON-AVGNSLFASA-N 1 3 323.466 0.783 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129448735 762938201 /nfs/dbraw/zinc/93/82/01/762938201.db2.gz DNNBDCACOHMTEE-OAHLLOKOSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC1CCCCC1)C1CC1 ZINC001129436527 762944259 /nfs/dbraw/zinc/94/42/59/762944259.db2.gz QLMSHUFUHKUSIM-MRXNPFEDSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@H]2O)CCC1 ZINC001099871444 763090210 /nfs/dbraw/zinc/09/02/10/763090210.db2.gz DBYRSSRYCWWGIE-CHWSQXEVSA-N 1 3 301.406 0.382 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCCF)C[C@H]2O)CCC1 ZINC001099871444 763090217 /nfs/dbraw/zinc/09/02/17/763090217.db2.gz DBYRSSRYCWWGIE-CHWSQXEVSA-N 1 3 301.406 0.382 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1O)C1CCC1 ZINC001099879681 763094581 /nfs/dbraw/zinc/09/45/81/763094581.db2.gz OBTAFRVADFXUHO-HOTGVXAUSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O)C1CCC1 ZINC001099879681 763094589 /nfs/dbraw/zinc/09/45/89/763094589.db2.gz OBTAFRVADFXUHO-HOTGVXAUSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)=CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972037 763177650 /nfs/dbraw/zinc/17/76/50/763177650.db2.gz PVJWOQXHWSJWTO-HUUCEWRRSA-N 1 3 309.454 0.846 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001130205683 763178555 /nfs/dbraw/zinc/17/85/55/763178555.db2.gz SKTAAFHTRKTIGD-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO Cc1cccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)c1 ZINC001099986702 763189007 /nfs/dbraw/zinc/18/90/07/763189007.db2.gz OBMFOHMCCIXADF-IRXDYDNUSA-N 1 3 319.449 0.998 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001130426752 763298881 /nfs/dbraw/zinc/29/88/81/763298881.db2.gz BGDQWUZGWZPVLE-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+]CCn2cccn2)C1)C1CCC1 ZINC001100407740 763557127 /nfs/dbraw/zinc/55/71/27/763557127.db2.gz HWHZGFSIBTVNPN-UHFFFAOYSA-N 1 3 319.453 0.852 20 0 DCADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001100408064 763558234 /nfs/dbraw/zinc/55/82/34/763558234.db2.gz TVGXIILIJXEKCW-INORYPFCSA-N 1 3 322.453 0.090 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@]23CCC[NH2+]C3)C1=O ZINC001158162275 763567742 /nfs/dbraw/zinc/56/77/42/763567742.db2.gz WLSGNXKHHIWBJS-BBRMVZONSA-N 1 3 308.426 0.071 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]C[C@@H](O)COC)C1 ZINC001100460015 763589881 /nfs/dbraw/zinc/58/98/81/763589881.db2.gz LIDUAFFMKORCQA-JXQTWKCFSA-N 1 3 315.458 0.208 20 0 DCADHO C[C@H](Nc1ccc(O[C@H]2CCC[NH2+]C2)nn1)[C@H]1CNCCO1 ZINC001170572314 763876720 /nfs/dbraw/zinc/87/67/20/763876720.db2.gz QMWLQBRBNXHLEB-RWMBFGLXSA-N 1 3 307.398 0.396 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC001101039493 763932791 /nfs/dbraw/zinc/93/27/91/763932791.db2.gz OHRHNWJCAOZONL-JXQTWKCFSA-N 1 3 310.442 0.090 20 0 DCADHO CN1CC[C@H](NCCNC(=O)CC2([NH+](C)C)CCCC2)C1=O ZINC001131844742 764062936 /nfs/dbraw/zinc/06/29/36/764062936.db2.gz LTGUYTMMFDGVHC-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418585 764089315 /nfs/dbraw/zinc/08/93/15/764089315.db2.gz ZHEPBKYQXOFHCP-KEYYUXOJSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418585 764089321 /nfs/dbraw/zinc/08/93/21/764089321.db2.gz ZHEPBKYQXOFHCP-KEYYUXOJSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)(C(=O)NCCNCC(=O)N1CCCCC1)[NH+]1CCCC1 ZINC001132280935 764350581 /nfs/dbraw/zinc/35/05/81/764350581.db2.gz YRWUJONVPDIFCU-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102215398 764555246 /nfs/dbraw/zinc/55/52/46/764555246.db2.gz PBHVUWCEDLRYHG-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102215398 764555253 /nfs/dbraw/zinc/55/52/53/764555253.db2.gz PBHVUWCEDLRYHG-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO CCN(C)C(=O)CN1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102314416 764591662 /nfs/dbraw/zinc/59/16/62/764591662.db2.gz GYDAZBBLYDYGRA-ZIAGYGMSSA-N 1 3 312.458 0.101 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(N)=O ZINC001132795760 764654685 /nfs/dbraw/zinc/65/46/85/764654685.db2.gz XSAKDPMQFOYBFJ-CABCVRRESA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(N)=O ZINC001132795760 764654690 /nfs/dbraw/zinc/65/46/90/764654690.db2.gz XSAKDPMQFOYBFJ-CABCVRRESA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H]1CN(CCF)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102488839 764663991 /nfs/dbraw/zinc/66/39/91/764663991.db2.gz KJCLUIYXGIWVIK-ZIAGYGMSSA-N 1 3 315.433 0.751 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102496298 764668055 /nfs/dbraw/zinc/66/80/55/764668055.db2.gz OSMMALYFRBRFLW-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102496298 764668063 /nfs/dbraw/zinc/66/80/63/764668063.db2.gz OSMMALYFRBRFLW-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532578 764683016 /nfs/dbraw/zinc/68/30/16/764683016.db2.gz TYNRBGATFRYAIP-MBNYWOFBSA-N 1 3 308.426 0.980 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532578 764683019 /nfs/dbraw/zinc/68/30/19/764683019.db2.gz TYNRBGATFRYAIP-MBNYWOFBSA-N 1 3 308.426 0.980 20 0 DCADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCO ZINC001132892746 764711519 /nfs/dbraw/zinc/71/15/19/764711519.db2.gz ISIPEENELMHJFA-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995268 764784371 /nfs/dbraw/zinc/78/43/71/764784371.db2.gz PUJTXDKOIAVKOV-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NCc1ccco1 ZINC001133051793 764802355 /nfs/dbraw/zinc/80/23/55/764802355.db2.gz PBPWEYADZNJZKN-CYBMUJFWSA-N 1 3 324.425 0.332 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133052033 764804663 /nfs/dbraw/zinc/80/46/63/764804663.db2.gz YZLVPNSXOJFZDQ-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001133291465 764909763 /nfs/dbraw/zinc/90/97/63/764909763.db2.gz QQMROUUUUWOCIR-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[NH+](C)CCC(=O)NCCNC[C@@H](O)c1ccc(F)cc1F ZINC001133294485 764911718 /nfs/dbraw/zinc/91/17/18/764911718.db2.gz KLPLLDCSYXCLCU-CQSZACIVSA-N 1 3 315.364 0.656 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001103755452 765120056 /nfs/dbraw/zinc/12/00/56/765120056.db2.gz HKULOSCQCTYUJW-MGPQQGTHSA-N 1 3 312.458 0.275 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001103755452 765120059 /nfs/dbraw/zinc/12/00/59/765120059.db2.gz HKULOSCQCTYUJW-MGPQQGTHSA-N 1 3 312.458 0.275 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001133823635 765153549 /nfs/dbraw/zinc/15/35/49/765153549.db2.gz KUYJTWKCPAWXRH-OAHLLOKOSA-N 1 3 322.457 0.639 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCOC[C@H]2CCCO2)C1 ZINC001133850594 765170643 /nfs/dbraw/zinc/17/06/43/765170643.db2.gz NVXMBIOYGLIHMH-HUUCEWRRSA-N 1 3 313.442 0.230 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133863831 765189933 /nfs/dbraw/zinc/18/99/33/765189933.db2.gz PWFQEUCUSLRKRX-OLZOCXBDSA-N 1 3 312.458 0.052 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133863831 765189934 /nfs/dbraw/zinc/18/99/34/765189934.db2.gz PWFQEUCUSLRKRX-OLZOCXBDSA-N 1 3 312.458 0.052 20 0 DCADHO CCCC[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001133908509 765221743 /nfs/dbraw/zinc/22/17/43/765221743.db2.gz UYLRDQXYASSXEJ-ZDUSSCGKSA-N 1 3 314.474 0.714 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001103999888 765229195 /nfs/dbraw/zinc/22/91/95/765229195.db2.gz OENFMMPPMPMQBD-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1)N(C)C ZINC001133965902 765258318 /nfs/dbraw/zinc/25/83/18/765258318.db2.gz ORVOVNSAFRZGGP-ZBFHGGJFSA-N 1 3 323.437 0.472 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1)C1CCC1 ZINC001112401667 765525144 /nfs/dbraw/zinc/52/51/44/765525144.db2.gz REPLTNGPVAQEDY-YOEHRIQHSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001134583368 765581012 /nfs/dbraw/zinc/58/10/12/765581012.db2.gz JSHAHWUGKAQASY-CHWSQXEVSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001134766004 765660656 /nfs/dbraw/zinc/66/06/56/765660656.db2.gz CHQCEFUZDOCRJT-MRXNPFEDSA-N 1 3 321.469 0.931 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H]1COc2ccccc2O1 ZINC001135511609 765966239 /nfs/dbraw/zinc/96/62/39/765966239.db2.gz VIAQOMHPPWUGFW-AWEZNQCLSA-N 1 3 321.421 0.874 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135691346 766050153 /nfs/dbraw/zinc/05/01/53/766050153.db2.gz SMCKYNMWXKICSF-KBPBESRZSA-N 1 3 314.474 0.857 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001092603099 768349066 /nfs/dbraw/zinc/34/90/66/768349066.db2.gz UHEURMYDXAQZCO-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001092603099 768349074 /nfs/dbraw/zinc/34/90/74/768349074.db2.gz UHEURMYDXAQZCO-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001136035891 766218979 /nfs/dbraw/zinc/21/89/79/766218979.db2.gz RYVYOVIYNBRTCR-VXGBXAGGSA-N 1 3 319.413 0.425 20 0 DCADHO CCOC(=O)[C@@H]1NC(=O)c2cc(N[C@H](N)CCC[NH3+])ccc2O1 ZINC001170901011 766250497 /nfs/dbraw/zinc/25/04/97/766250497.db2.gz TUVNXUMTKZUVLM-GXTWGEPZSA-N 1 3 322.365 0.134 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC001119237437 766604334 /nfs/dbraw/zinc/60/43/34/766604334.db2.gz GCHSXMKQLKILDP-OAHLLOKOSA-N 1 3 317.499 0.571 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@H]1CCN(Cc2ccsc2)C[C@@H]1O ZINC001090811570 766623684 /nfs/dbraw/zinc/62/36/84/766623684.db2.gz CEWMMCXFBDOVKL-GJZGRUSLSA-N 1 3 323.462 0.895 20 0 DCADHO O=C(CN1CCCC1)N[C@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001090811570 766623690 /nfs/dbraw/zinc/62/36/90/766623690.db2.gz CEWMMCXFBDOVKL-GJZGRUSLSA-N 1 3 323.462 0.895 20 0 DCADHO O=C(CN1CCCC1)N[C@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001090811570 766623695 /nfs/dbraw/zinc/62/36/95/766623695.db2.gz CEWMMCXFBDOVKL-GJZGRUSLSA-N 1 3 323.462 0.895 20 0 DCADHO CC(C)[NH2+]C1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001091151220 766961150 /nfs/dbraw/zinc/96/11/50/766961150.db2.gz RBPITDAHCGGDJP-RDVIWEACSA-N 1 3 307.438 0.742 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)COCC[NH+](C)C ZINC001171204861 767002208 /nfs/dbraw/zinc/00/22/08/767002208.db2.gz GZOJXCKLWMQTIO-UHFFFAOYSA-N 1 3 315.443 0.021 20 0 DCADHO Cc1cnc(CNCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001171225925 767048750 /nfs/dbraw/zinc/04/87/50/767048750.db2.gz BOJQVIXVGKFTGZ-CQSZACIVSA-N 1 3 305.426 0.723 20 0 DCADHO Cc1cnc(CNCCCNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001171225925 767048758 /nfs/dbraw/zinc/04/87/58/767048758.db2.gz BOJQVIXVGKFTGZ-CQSZACIVSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@@H]1C ZINC001120653448 767117673 /nfs/dbraw/zinc/11/76/73/767117673.db2.gz PSBBHTIAWFDFAF-HUUCEWRRSA-N 1 3 311.474 0.454 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(n2cccn2)CC1 ZINC001160846848 767352698 /nfs/dbraw/zinc/35/26/98/767352698.db2.gz YYTRSFJZVUVTKT-OAHLLOKOSA-N 1 3 317.437 0.921 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(n2cccn2)CC1 ZINC001160846848 767352703 /nfs/dbraw/zinc/35/27/03/767352703.db2.gz YYTRSFJZVUVTKT-OAHLLOKOSA-N 1 3 317.437 0.921 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCOC[C@H]1CCCO1)N(C)C ZINC001160889064 767378556 /nfs/dbraw/zinc/37/85/56/767378556.db2.gz AXYFHBDYNJHKTA-HUUCEWRRSA-N 1 3 315.458 0.618 20 0 DCADHO COCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146592315 767485263 /nfs/dbraw/zinc/48/52/63/767485263.db2.gz JKXSCTKZGMUYFN-CABCVRRESA-N 1 3 317.474 0.863 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146591885 767485848 /nfs/dbraw/zinc/48/58/48/767485848.db2.gz HWOVCUOSBWGBKO-UONOGXRCSA-N 1 3 314.474 0.726 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711756 767509542 /nfs/dbraw/zinc/50/95/42/767509542.db2.gz WGYIPPVBASMEMA-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711756 767509544 /nfs/dbraw/zinc/50/95/44/767509544.db2.gz WGYIPPVBASMEMA-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCC[C@H](C)C1 ZINC001146718877 767510856 /nfs/dbraw/zinc/51/08/56/767510856.db2.gz JEIOERZBYHFFEO-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCC[C@H](C)C1 ZINC001146718877 767510861 /nfs/dbraw/zinc/51/08/61/767510861.db2.gz JEIOERZBYHFFEO-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193364 768482946 /nfs/dbraw/zinc/48/29/46/768482946.db2.gz HJANMFOBRVAHCT-FVQBIDKESA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193364 768482951 /nfs/dbraw/zinc/48/29/51/768482951.db2.gz HJANMFOBRVAHCT-FVQBIDKESA-N 1 3 319.453 0.556 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203026749 768526286 /nfs/dbraw/zinc/52/62/86/768526286.db2.gz AUHXMOFSXSHUJC-CHWSQXEVSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]([NH2+]CCCO)C23CCC3)CCC1 ZINC001203027117 768527601 /nfs/dbraw/zinc/52/76/01/768527601.db2.gz CONXOLQPDGNMOR-UONOGXRCSA-N 1 3 309.454 0.870 20 0 DCADHO CN(C(=O)[C@@H](N)CCCC[NH+](C)C)[C@@H]1CCC2(C1)OCCO2 ZINC001161218009 768588932 /nfs/dbraw/zinc/58/89/32/768588932.db2.gz GPAHVUVSSCPPAP-KGLIPLIRSA-N 1 3 313.442 0.800 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001093673258 768686723 /nfs/dbraw/zinc/68/67/23/768686723.db2.gz NRIYIPZMKIWLKH-NFAWXSAZSA-N 1 3 320.441 0.093 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCF)CCCO2)C1 ZINC001150333376 769066922 /nfs/dbraw/zinc/06/69/22/769066922.db2.gz MLDFGYWZAHVWCW-LSDHHAIUSA-N 1 3 315.433 0.895 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCF)CCCO2)C1 ZINC001150333376 769066933 /nfs/dbraw/zinc/06/69/33/769066933.db2.gz MLDFGYWZAHVWCW-LSDHHAIUSA-N 1 3 315.433 0.895 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN([C@H](C)COC)CCCO1 ZINC001150546364 769120669 /nfs/dbraw/zinc/12/06/69/769120669.db2.gz DMGYUOOYUGQONI-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN([C@H](C)COC)CCCO1 ZINC001150546364 769120674 /nfs/dbraw/zinc/12/06/74/769120674.db2.gz DMGYUOOYUGQONI-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150590098 769133351 /nfs/dbraw/zinc/13/33/51/769133351.db2.gz YQAAVHICVQQHQZ-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150590098 769133353 /nfs/dbraw/zinc/13/33/53/769133353.db2.gz YQAAVHICVQQHQZ-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CCC(C)CC1 ZINC001151065681 769251161 /nfs/dbraw/zinc/25/11/61/769251161.db2.gz MTTABVAJWJENKR-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CCC(C)CC1 ZINC001151065681 769251168 /nfs/dbraw/zinc/25/11/68/769251168.db2.gz MTTABVAJWJENKR-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072949 769252286 /nfs/dbraw/zinc/25/22/86/769252286.db2.gz BCMKCTJNCLOIHF-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072949 769252292 /nfs/dbraw/zinc/25/22/92/769252292.db2.gz BCMKCTJNCLOIHF-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NCC[NH2+][C@H](C)c1cnccn1 ZINC001151157063 769279074 /nfs/dbraw/zinc/27/90/74/769279074.db2.gz JRTCJGXXTITZQX-ZIAGYGMSSA-N 1 3 321.425 0.212 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)COCC(C)C ZINC001171770334 769372287 /nfs/dbraw/zinc/37/22/87/769372287.db2.gz NGGXFVFHHUUVTH-HNNXBMFYSA-N 1 3 317.474 0.458 20 0 DCADHO CC[C@@H]([NH2+]CCNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001152245743 769514199 /nfs/dbraw/zinc/51/41/99/769514199.db2.gz LILBOGUOPPVMIT-CQSZACIVSA-N 1 3 306.410 0.332 20 0 DCADHO COCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345842 769630649 /nfs/dbraw/zinc/63/06/49/769630649.db2.gz LTFZDOJDMVQLNU-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)COCC[NH+](C)C)CC2)n1 ZINC001203349291 769735845 /nfs/dbraw/zinc/73/58/45/769735845.db2.gz LATPSRDHMGBRSO-UHFFFAOYSA-N 1 3 323.441 0.079 20 0 DCADHO COC(=O)C[C@H]1C[NH2+]CCN1Cc1nc2c(s1)CNCC2 ZINC001235848488 769950652 /nfs/dbraw/zinc/95/06/52/769950652.db2.gz CHRYVVIDSDDHRU-JTQLQIEISA-N 1 3 310.423 0.126 20 0 DCADHO COC(=O)[C@@H](N)C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001236064852 769977032 /nfs/dbraw/zinc/97/70/32/769977032.db2.gz BLTUZVOPDGSEJQ-AWEZNQCLSA-N 1 3 324.450 0.501 20 0 DCADHO COC(=O)[C@@H](N)C1CC[NH+](C[C@@H]2Cc3ccccc3CN2)CC1 ZINC001236065584 769977655 /nfs/dbraw/zinc/97/76/55/769977655.db2.gz BQCQQLLXGGSISL-IRXDYDNUSA-N 1 3 317.433 0.913 20 0 DCADHO COC(=O)[C@H]1CN(Cc2cc(F)cc(CN(C)C)c2)C[C@H]1[NH3+] ZINC001236359421 770007886 /nfs/dbraw/zinc/00/78/86/770007886.db2.gz VUVQDKLMNZHEMX-LSDHHAIUSA-N 1 3 309.385 0.819 20 0 DCADHO O=S(=O)([N-]c1cnn(C2CC[NH2+]CC2)c1)C1CC[NH2+]CC1 ZINC001237471488 770044975 /nfs/dbraw/zinc/04/49/75/770044975.db2.gz MAKCIAPJWOPTKJ-UHFFFAOYSA-N 1 3 313.427 0.301 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)CCc1cccc(F)c1 ZINC001238879040 770140082 /nfs/dbraw/zinc/14/00/82/770140082.db2.gz NJRSPQKWLTWHMD-UHFFFAOYSA-N 1 3 317.430 0.616 20 0 DCADHO [NH3+]CCCC[NH2+]CCCNS(=O)(=O)c1ccc([O-])cc1 ZINC001238880233 770141349 /nfs/dbraw/zinc/14/13/49/770141349.db2.gz ZDILCDMJVIIMKO-UHFFFAOYSA-N 1 3 301.412 0.389 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)O)CCCO1 ZINC001150625356 770170807 /nfs/dbraw/zinc/17/08/07/770170807.db2.gz LDKUFGWXPSQOET-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)O)CCCO1 ZINC001150625356 770170811 /nfs/dbraw/zinc/17/08/11/770170811.db2.gz LDKUFGWXPSQOET-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCS(=O)(=O)CCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975001 770265828 /nfs/dbraw/zinc/26/58/28/770265828.db2.gz GTIVSBZZNDEYCA-UHFFFAOYSA-N 1 3 321.487 0.247 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001176986755 770274196 /nfs/dbraw/zinc/27/41/96/770274196.db2.gz VHGKVEHIVLAFRS-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO [NH3+]C1CCN(c2cccc(NC[C@H]3CCNC(=O)C3)n2)CC1 ZINC001154935377 770344402 /nfs/dbraw/zinc/34/44/02/770344402.db2.gz YZPZMMKEGMKVOO-LBPRGKRZSA-N 1 3 303.410 0.947 20 0 DCADHO c1c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nnc2c1CNCC2 ZINC001155600434 770561038 /nfs/dbraw/zinc/56/10/38/770561038.db2.gz VNSBWBTWCHXSDU-BLLLJJGKSA-N 1 3 303.410 0.693 20 0 DCADHO COc1ncc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)c(C)n1 ZINC001155790779 770618442 /nfs/dbraw/zinc/61/84/42/770618442.db2.gz NLHRNVIYDQKIGP-AWEZNQCLSA-N 1 3 321.425 0.484 20 0 DCADHO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155822249 770629169 /nfs/dbraw/zinc/62/91/69/770629169.db2.gz LWCHVVBCDVQDFW-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CN1CCC(CNc2ncnc3c2CCNC3)([NH+](C)C)CC1 ZINC001156176452 770739667 /nfs/dbraw/zinc/73/96/67/770739667.db2.gz NYYBOPFAJJDTIK-UHFFFAOYSA-N 1 3 304.442 0.560 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001178689624 770835801 /nfs/dbraw/zinc/83/58/01/770835801.db2.gz SQZDIFWSTFGULZ-SOUVJXGZSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001178689624 770835811 /nfs/dbraw/zinc/83/58/11/770835811.db2.gz SQZDIFWSTFGULZ-SOUVJXGZSA-N 1 3 324.469 0.526 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001178692400 770836869 /nfs/dbraw/zinc/83/68/69/770836869.db2.gz NGMLNTYKHXGWGA-ARFHVFGLSA-N 1 3 308.470 0.708 20 0 DCADHO C[C@H]([NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001178698392 770842452 /nfs/dbraw/zinc/84/24/52/770842452.db2.gz GCGUOAOGLPNWMP-GXTWGEPZSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC(N)=O)N(C)C ZINC001178759527 770854479 /nfs/dbraw/zinc/85/44/79/770854479.db2.gz KMJKFCHALZFPRU-AWEZNQCLSA-N 1 3 300.447 0.324 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC)N(C)C ZINC001178816174 770884940 /nfs/dbraw/zinc/88/49/40/770884940.db2.gz VJUHJWZKPHWMDW-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO [NH3+]C1CCN(c2cccc(N[C@@H]3CCC(=O)NC3=O)n2)CC1 ZINC001156722115 770906819 /nfs/dbraw/zinc/90/68/19/770906819.db2.gz QOKMKDFWZJIYEO-LLVKDONJSA-N 1 3 303.366 0.226 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001179435514 771004939 /nfs/dbraw/zinc/00/49/39/771004939.db2.gz STNALVWEIFXYAY-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179968094 771048782 /nfs/dbraw/zinc/04/87/82/771048782.db2.gz MEWHBQALTMVOCN-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180139004 771062268 /nfs/dbraw/zinc/06/22/68/771062268.db2.gz WAMWMXLREDOCID-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180139004 771062273 /nfs/dbraw/zinc/06/22/73/771062273.db2.gz WAMWMXLREDOCID-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C[C@H](O)COC ZINC001180123213 771065591 /nfs/dbraw/zinc/06/55/91/771065591.db2.gz BDJINLROODWJCT-HNNXBMFYSA-N 1 3 317.474 0.602 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180211314 771074880 /nfs/dbraw/zinc/07/48/80/771074880.db2.gz CQOHPALPMUYWEL-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001180226638 771077388 /nfs/dbraw/zinc/07/73/88/771077388.db2.gz DQEBRBPBGOATSK-GJZGRUSLSA-N 1 3 307.442 0.802 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741149 771546120 /nfs/dbraw/zinc/54/61/20/771546120.db2.gz JJWCJNOAIVHNCY-XHBSWPGZSA-N 1 3 321.425 0.161 20 0 DCADHO CC(C)N1CC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001182870880 771567067 /nfs/dbraw/zinc/56/70/67/771567067.db2.gz GEJACJGWNGFQRG-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183040623 771595877 /nfs/dbraw/zinc/59/58/77/771595877.db2.gz UZNYEDQSOLIMNG-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183040623 771595882 /nfs/dbraw/zinc/59/58/82/771595882.db2.gz UZNYEDQSOLIMNG-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001157720559 771658686 /nfs/dbraw/zinc/65/86/86/771658686.db2.gz LUWADCZIBGMCIN-ZACQAIPSSA-N 1 3 317.433 0.827 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001183582505 771670655 /nfs/dbraw/zinc/67/06/55/771670655.db2.gz ZTGALQGZFWWDJV-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001183593326 771672621 /nfs/dbraw/zinc/67/26/21/771672621.db2.gz VZVUAXRGWMFMGG-IACUBPJLSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001157844976 771679365 /nfs/dbraw/zinc/67/93/65/771679365.db2.gz YYXJYCCAAZUOAM-XUXIUFHCSA-N 1 3 312.458 0.450 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900719 771689901 /nfs/dbraw/zinc/68/99/01/771689901.db2.gz PLFBRVAJYQZOML-VXGBXAGGSA-N 1 3 317.380 0.337 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900719 771689905 /nfs/dbraw/zinc/68/99/05/771689905.db2.gz PLFBRVAJYQZOML-VXGBXAGGSA-N 1 3 317.380 0.337 20 0 DCADHO CN1C[C@H](CNc2cccc(N3CCC([NH3+])CC3)n2)CC1=O ZINC001157908495 771691600 /nfs/dbraw/zinc/69/16/00/771691600.db2.gz GVQDCNINIJNLGC-LBPRGKRZSA-N 1 3 303.410 0.899 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@](F)(CO)CC1 ZINC001157936163 771697324 /nfs/dbraw/zinc/69/73/24/771697324.db2.gz YFLWLCDFYDBLBV-UKRRQHHQSA-N 1 3 313.417 0.574 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@](F)(CO)CC1 ZINC001157936163 771697329 /nfs/dbraw/zinc/69/73/29/771697329.db2.gz YFLWLCDFYDBLBV-UKRRQHHQSA-N 1 3 313.417 0.574 20 0 DCADHO [NH3+][C@@H]1CCc2nn(-c3nc(Cl)nc4c3CCNC4)cc2C1 ZINC001157980249 771706021 /nfs/dbraw/zinc/70/60/21/771706021.db2.gz PSNBIFJMGJYALK-SECBINFHSA-N 1 3 304.785 0.777 20 0 DCADHO Cc1nc(CCN(C)C(=O)[C@@H](N)CCCC[NH2+]C(C)C)no1 ZINC001157982235 771707036 /nfs/dbraw/zinc/70/70/36/771707036.db2.gz AFOJDGVIWLHGKG-ZDUSSCGKSA-N 1 3 311.430 0.875 20 0 DCADHO CC(C)(C(=O)NCCC[NH2+]CCn1cncn1)N1CCCCC1 ZINC001158079688 771722916 /nfs/dbraw/zinc/72/29/16/771722916.db2.gz MBAWBNWDEINESG-UHFFFAOYSA-N 1 3 322.457 0.639 20 0 DCADHO N[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)CCc2cc(F)ccc2C1 ZINC001158185677 771736589 /nfs/dbraw/zinc/73/65/89/771736589.db2.gz ACWWGCPJHFMJGF-ATVIMWCOSA-N 1 3 303.381 0.962 20 0 DCADHO CN(CCOCCO)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450690 771776647 /nfs/dbraw/zinc/77/66/47/771776647.db2.gz ULWPLLNTKVPXAE-OAHLLOKOSA-N 1 3 315.458 0.260 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CNCc4ccnn4C3)C[C@H]2CF)CC1 ZINC001158569363 771791750 /nfs/dbraw/zinc/79/17/50/771791750.db2.gz YIDGKCJXKXXGJW-YRGRVCCFSA-N 1 3 321.400 0.138 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876702 771841184 /nfs/dbraw/zinc/84/11/84/771841184.db2.gz LAFICJRVFRMNPL-RRFJBIMHSA-N 1 3 324.469 0.528 20 0 DCADHO COCc1n[nH]c2c1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C2 ZINC001159091302 771859145 /nfs/dbraw/zinc/85/91/45/771859145.db2.gz OMMZBSDHPDTSHB-LBPRGKRZSA-N 1 3 309.414 0.458 20 0 DCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC(F)F)C1 ZINC001159134847 771864852 /nfs/dbraw/zinc/86/48/52/771864852.db2.gz PZHVHQRSEXRTBG-QWRGUYRKSA-N 1 3 315.368 0.386 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](F)CN(CC)CC ZINC001159155912 771868384 /nfs/dbraw/zinc/86/83/84/771868384.db2.gz WNGLLUQBYVVBBT-ZDUSSCGKSA-N 1 3 318.437 0.288 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159226404 771879565 /nfs/dbraw/zinc/87/95/65/771879565.db2.gz YRTYRHUWMZXQLB-KKUMJFAQSA-N 1 3 322.453 0.445 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248572 771888510 /nfs/dbraw/zinc/88/85/10/771888510.db2.gz GYKBTKPCBJVKDO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)CC1 ZINC001185361449 771905220 /nfs/dbraw/zinc/90/52/20/771905220.db2.gz YPFOROMVRMEXJY-CABCVRRESA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H]1CCCN(C(=O)CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001185408856 771916878 /nfs/dbraw/zinc/91/68/78/771916878.db2.gz YVFFFHCXIBLWBM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676244 771947197 /nfs/dbraw/zinc/94/71/97/771947197.db2.gz QIYHDPHWJINLJN-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC001159931229 771979398 /nfs/dbraw/zinc/97/93/98/771979398.db2.gz BEPXVJTXLFZVMW-STQMWFEESA-N 1 3 319.396 0.847 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21)C1CC1 ZINC001159931568 771980469 /nfs/dbraw/zinc/98/04/69/771980469.db2.gz FKFUVRHTDHTJEC-ZFWWWQNUSA-N 1 3 320.441 0.202 20 0 DCADHO CCCNCc1cn([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185999805 771983978 /nfs/dbraw/zinc/98/39/78/771983978.db2.gz KHNXTSGCQROXDS-OAHLLOKOSA-N 1 3 322.457 0.893 20 0 DCADHO Cc1ccc(N(C(=O)[C@@H](C)N)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054307 771991926 /nfs/dbraw/zinc/99/19/26/771991926.db2.gz YYRHYGZSVQHGNS-WWGRRREGSA-N 1 3 319.409 0.376 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001186453080 772042191 /nfs/dbraw/zinc/04/21/91/772042191.db2.gz WJQWULWBUZIKQK-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](NCC(=O)NC)C1)C(C)C ZINC001186428602 772043834 /nfs/dbraw/zinc/04/38/34/772043834.db2.gz SDGPHRKZXCSWIS-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@@H]1COCc1ccccc1 ZINC001160526261 772058092 /nfs/dbraw/zinc/05/80/92/772058092.db2.gz ICGXHMITRAVJQH-CABCVRRESA-N 1 3 323.462 0.823 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@H]1COCc1ccccc1 ZINC001160525796 772058238 /nfs/dbraw/zinc/05/82/38/772058238.db2.gz FENWKTTVHNCZEM-HOTGVXAUSA-N 1 3 315.417 0.613 20 0 DCADHO O=C(N1CCc2nc(Cl)ncc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160576598 772070093 /nfs/dbraw/zinc/07/00/93/772070093.db2.gz WPROBQFZWVQVDY-IAQYHMDHSA-N 1 3 321.812 0.214 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649825 772086871 /nfs/dbraw/zinc/08/68/71/772086871.db2.gz OZOUPKPZLDIMIP-ZNMIVQPWSA-N 1 3 309.385 0.818 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC(=O)C(F)(F)C1 ZINC001160663501 772090594 /nfs/dbraw/zinc/09/05/94/772090594.db2.gz POAIVYHARUJJMQ-NSHDSACASA-N 1 3 305.369 0.919 20 0 DCADHO CCCC[C@@H](N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001186834588 772093063 /nfs/dbraw/zinc/09/30/63/772093063.db2.gz RTJPRKAHECNODE-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CCCC[C@@H](N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001186834588 772093068 /nfs/dbraw/zinc/09/30/68/772093068.db2.gz RTJPRKAHECNODE-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001186824737 772097485 /nfs/dbraw/zinc/09/74/85/772097485.db2.gz JEDIACQGOUGFLQ-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cn(C)nc2C)C1 ZINC001186824737 772097492 /nfs/dbraw/zinc/09/74/92/772097492.db2.gz JEDIACQGOUGFLQ-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F)C1CC[NH2+]CC1 ZINC001160760460 772108172 /nfs/dbraw/zinc/10/81/72/772108172.db2.gz MXGAYHIUWSOXNI-TUAOUCFPSA-N 1 3 303.353 0.053 20 0 DCADHO CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H](C1CCC1)C(F)(F)F ZINC001160772806 772109998 /nfs/dbraw/zinc/10/99/98/772109998.db2.gz BAIALILMONNSOT-QWRGUYRKSA-N 1 3 305.344 0.985 20 0 DCADHO C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](N)Cc1cccc(O)c1 ZINC001160837091 772118877 /nfs/dbraw/zinc/11/88/77/772118877.db2.gz BGZRHJSSFZNFBL-DZGCQCFKSA-N 1 3 307.394 0.051 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001160883778 772132047 /nfs/dbraw/zinc/13/20/47/772132047.db2.gz UYWCGVZZBJAYEN-OAHLLOKOSA-N 1 3 320.437 0.722 20 0 DCADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCc2cncc(F)c2)C1 ZINC001187115759 772133108 /nfs/dbraw/zinc/13/31/08/772133108.db2.gz RDLDKSOJZGCHJJ-OAHLLOKOSA-N 1 3 324.400 0.489 20 0 DCADHO CN(C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001187091673 772135650 /nfs/dbraw/zinc/13/56/50/772135650.db2.gz KLLBVFMBTXTKML-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001187091673 772135654 /nfs/dbraw/zinc/13/56/54/772135654.db2.gz KLLBVFMBTXTKML-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(c1csc2c1CCNC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161010925 772149206 /nfs/dbraw/zinc/14/92/06/772149206.db2.gz NQKPXSUWJJETAO-AWEZNQCLSA-N 1 3 321.446 0.723 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001187306691 772171707 /nfs/dbraw/zinc/17/17/07/772171707.db2.gz MOZSDOJULHUTDQ-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)C3CCC(O)CC3)C[C@@H]2C1 ZINC001161174677 772181509 /nfs/dbraw/zinc/18/15/09/772181509.db2.gz CFHGIQCYUNSBCQ-ABSNHQIMSA-N 1 3 309.454 0.665 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161261878 772192868 /nfs/dbraw/zinc/19/28/68/772192868.db2.gz NQSXKZLGGRETID-ZSEKCTLFSA-N 1 3 317.499 0.709 20 0 DCADHO Cc1cc(O[C@@H]2CCCN(C(=O)[C@@H](N)CCCC[NH3+])C2)ncn1 ZINC001161308974 772201365 /nfs/dbraw/zinc/20/13/65/772201365.db2.gz KDARNURANGTWGN-KGLIPLIRSA-N 1 3 321.425 0.611 20 0 DCADHO CCN(C(=O)[C@H](CC(=O)OC(C)(C)C)NC)[C@H]1CCC[NH2+]C1 ZINC001161329588 772205560 /nfs/dbraw/zinc/20/55/60/772205560.db2.gz GBQNPSGNMBNRNT-STQMWFEESA-N 1 3 313.442 0.907 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834741 772231433 /nfs/dbraw/zinc/23/14/33/772231433.db2.gz GXIMAVHJVCJJGN-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1ccn2cc(CN(C)C(=O)[C@@H]3C[NH2+]CC34CNC4)nc2c1 ZINC001161532096 772240343 /nfs/dbraw/zinc/24/03/43/772240343.db2.gz NDYNTKXVYZBJFL-AWEZNQCLSA-N 1 3 313.405 0.410 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001188139292 772271286 /nfs/dbraw/zinc/27/12/86/772271286.db2.gz KWMPAYIKGWCIHZ-ILXRZTDVSA-N 1 3 313.442 0.059 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001188158672 772277150 /nfs/dbraw/zinc/27/71/50/772277150.db2.gz TZYYFPUQAIUQFM-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1cc(C)c2c(n1)CC[NH2+]C2 ZINC001162531430 772386942 /nfs/dbraw/zinc/38/69/42/772386942.db2.gz VCYFMUBJYKGOKH-UHFFFAOYSA-N 1 3 315.377 0.857 20 0 DCADHO CN1CCOc2c1cnnc2NCc1nnn2c1C[NH2+]CCC2 ZINC001162973314 772438307 /nfs/dbraw/zinc/43/83/07/772438307.db2.gz HXCAFXDBGBDDDG-UHFFFAOYSA-N 1 3 316.369 0.002 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189912657 772556797 /nfs/dbraw/zinc/55/67/97/772556797.db2.gz DBKVBVAPUOSQSB-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189912657 772556799 /nfs/dbraw/zinc/55/67/99/772556799.db2.gz DBKVBVAPUOSQSB-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163821001 772577403 /nfs/dbraw/zinc/57/74/03/772577403.db2.gz JYZQENOEOYIFDQ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190775271 772676898 /nfs/dbraw/zinc/67/68/98/772676898.db2.gz FNQVBTLSRUEXIZ-ZNMIVQPWSA-N 1 3 315.458 0.113 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190775271 772676900 /nfs/dbraw/zinc/67/69/00/772676900.db2.gz FNQVBTLSRUEXIZ-ZNMIVQPWSA-N 1 3 315.458 0.113 20 0 DCADHO C[NH+](C)CCC(=O)NCCCNCc1cc2n(n1)CCCC2 ZINC001165781327 772762385 /nfs/dbraw/zinc/76/23/85/772762385.db2.gz PQLDMFHFORMKTA-UHFFFAOYSA-N 1 3 307.442 0.767 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001166626924 772830177 /nfs/dbraw/zinc/83/01/77/772830177.db2.gz MCPZTNAIAPVMJL-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001166667448 772836277 /nfs/dbraw/zinc/83/62/77/772836277.db2.gz BJOYNKFVAHSPOB-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667812 772837216 /nfs/dbraw/zinc/83/72/16/772837216.db2.gz IVNIZXMOELOIQI-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCN2CCCC2=O)C1 ZINC001166676826 772838772 /nfs/dbraw/zinc/83/87/72/772838772.db2.gz CYXOHIORVPBCAF-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858325 772871247 /nfs/dbraw/zinc/87/12/47/772871247.db2.gz PNXCUSIOEBNEFG-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CN(CCO[C@@H]1CC1(F)F)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169644 772878629 /nfs/dbraw/zinc/87/86/29/772878629.db2.gz BVYBVQQKMZJDTK-CHWSQXEVSA-N 1 3 319.396 0.895 20 0 DCADHO CN(CCOCC(F)F)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171897 772879838 /nfs/dbraw/zinc/87/98/38/772879838.db2.gz YIXSFPSIMDNKQY-LBPRGKRZSA-N 1 3 307.385 0.753 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001192190458 772882860 /nfs/dbraw/zinc/88/28/60/772882860.db2.gz QDLKAIXLIUBRHZ-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001192190458 772882865 /nfs/dbraw/zinc/88/28/65/772882865.db2.gz QDLKAIXLIUBRHZ-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN(C)CCC)CC1 ZINC001203455993 772906670 /nfs/dbraw/zinc/90/66/70/772906670.db2.gz NGVILRWBDHYIAI-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001204798383 772962489 /nfs/dbraw/zinc/96/24/89/772962489.db2.gz IHVNOTWYWNAYIV-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001206302097 773064887 /nfs/dbraw/zinc/06/48/87/773064887.db2.gz RXYKDCBALQIYRK-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001193643021 773094179 /nfs/dbraw/zinc/09/41/79/773094179.db2.gz PMZUTKWGFFFJRW-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001193643021 773094181 /nfs/dbraw/zinc/09/41/81/773094181.db2.gz PMZUTKWGFFFJRW-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO CC1CCN(CC(=O)N2CCC(C[NH2+]CCCO)CC2)CC1 ZINC001206683864 773098517 /nfs/dbraw/zinc/09/85/17/773098517.db2.gz QPJDXIKWYHFVRQ-UHFFFAOYSA-N 1 3 311.470 0.929 20 0 DCADHO CN(CCOCC1CC1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194011318 773137864 /nfs/dbraw/zinc/13/78/64/773137864.db2.gz RNLDZCOLTHRCPO-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO CN(CCOCC1CC1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194011318 773137866 /nfs/dbraw/zinc/13/78/66/773137866.db2.gz RNLDZCOLTHRCPO-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO COCCOCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194038294 773141719 /nfs/dbraw/zinc/14/17/19/773141719.db2.gz JJBCHEDWTCEFLH-OAHLLOKOSA-N 1 3 313.442 0.278 20 0 DCADHO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194038294 773141721 /nfs/dbraw/zinc/14/17/21/773141721.db2.gz JJBCHEDWTCEFLH-OAHLLOKOSA-N 1 3 313.442 0.278 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206952281 773146416 /nfs/dbraw/zinc/14/64/16/773146416.db2.gz HVCLMQCKYAGLSH-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCCN1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC001207303691 773191982 /nfs/dbraw/zinc/19/19/82/773191982.db2.gz BWMUCXWOCHSZEQ-UHFFFAOYSA-N 1 3 312.502 0.667 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207684257 773268117 /nfs/dbraw/zinc/26/81/17/773268117.db2.gz LULIKSKBHBAYHP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048382 773387231 /nfs/dbraw/zinc/38/72/31/773387231.db2.gz HSABODUXRVPMAK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328901 773434242 /nfs/dbraw/zinc/43/42/42/773434242.db2.gz KELVOLQGJIMJQA-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334979 773435987 /nfs/dbraw/zinc/43/59/87/773435987.db2.gz PIZFJNOJHFRINN-HIFRSBDPSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208330876 773435991 /nfs/dbraw/zinc/43/59/91/773435991.db2.gz HIARGJBGMNYYNO-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335368 773436508 /nfs/dbraw/zinc/43/65/08/773436508.db2.gz SPEZBJSRIMGKBK-GDBMZVCRSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340977 773438002 /nfs/dbraw/zinc/43/80/02/773438002.db2.gz RZOWKTDEPKRQQK-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001208454524 773466692 /nfs/dbraw/zinc/46/66/92/773466692.db2.gz XFJIKDQEBFGNCR-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001208454524 773466696 /nfs/dbraw/zinc/46/66/96/773466696.db2.gz XFJIKDQEBFGNCR-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(=O)N1CCC(CN2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC001208674686 773512419 /nfs/dbraw/zinc/51/24/19/773512419.db2.gz UISSMYHBIUFYBJ-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001209314821 773590093 /nfs/dbraw/zinc/59/00/93/773590093.db2.gz LDVUWAZNOOUFPA-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209456275 773607016 /nfs/dbraw/zinc/60/70/16/773607016.db2.gz YOOOEPVEQQWIRL-AAEUAGOBSA-N 1 3 308.430 0.706 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631903 773627601 /nfs/dbraw/zinc/62/76/01/773627601.db2.gz IDJUFRFATVCHLB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661633 773631960 /nfs/dbraw/zinc/63/19/60/773631960.db2.gz YFWWALCTWFNWNA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001209668683 773632747 /nfs/dbraw/zinc/63/27/47/773632747.db2.gz GFHXFHBBFLOYEV-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC001210781935 773736403 /nfs/dbraw/zinc/73/64/03/773736403.db2.gz GGXBHSKAZUMUHG-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001210797302 773740729 /nfs/dbraw/zinc/74/07/29/773740729.db2.gz RFHYINOQAFZYTP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001210797302 773740732 /nfs/dbraw/zinc/74/07/32/773740732.db2.gz RFHYINOQAFZYTP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001211241092 773784512 /nfs/dbraw/zinc/78/45/12/773784512.db2.gz RVVJBEODRXHOMA-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211251064 773785804 /nfs/dbraw/zinc/78/58/04/773785804.db2.gz ZGGBCTQXRZPTDJ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001215458941 774074534 /nfs/dbraw/zinc/07/45/34/774074534.db2.gz QVRDDSPTOZIEDI-MBNYWOFBSA-N 1 3 310.442 0.042 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)C)C1 ZINC001216216840 774108811 /nfs/dbraw/zinc/10/88/11/774108811.db2.gz COEFXDPPTJAUCD-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)C)C1 ZINC001216216840 774108815 /nfs/dbraw/zinc/10/88/15/774108815.db2.gz COEFXDPPTJAUCD-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754421 774133203 /nfs/dbraw/zinc/13/32/03/774133203.db2.gz TZRYZPBXAVZATR-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754421 774133208 /nfs/dbraw/zinc/13/32/08/774133208.db2.gz TZRYZPBXAVZATR-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2CCC[NH2+]CC2)c1 ZINC001217999615 774209043 /nfs/dbraw/zinc/20/90/43/774209043.db2.gz KEUXRGNZBXLLQO-KGLIPLIRSA-N 1 3 321.421 0.871 20 0 DCADHO c1cc(O[C@H]2CCO[C@@]23CC[NH2+]C3)n2nc3c(c2n1)CNCC3 ZINC001218139000 774213617 /nfs/dbraw/zinc/21/36/17/774213617.db2.gz REMBWMXEDOFGSA-XJKSGUPXSA-N 1 3 315.377 0.275 20 0 DCADHO Cc1[nH]nc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1Br ZINC001218526050 774237175 /nfs/dbraw/zinc/23/71/75/774237175.db2.gz OFPSFKXZHMGYKP-ZETCQYMHSA-N 1 3 314.187 0.228 20 0 DCADHO Cc1cc2ncc(C)c(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)n2n1 ZINC001218526253 774238338 /nfs/dbraw/zinc/23/83/38/774238338.db2.gz SINWFVMJBZRBMU-MLGOLLRUSA-N 1 3 314.393 0.484 20 0 DCADHO COC(=O)c1cnc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(Cl)c1 ZINC001218596424 774259356 /nfs/dbraw/zinc/25/93/56/774259356.db2.gz MHTDURQEEQILIQ-VIFPVBQESA-N 1 3 324.768 0.269 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC001218603003 774261192 /nfs/dbraw/zinc/26/11/92/774261192.db2.gz KWECQVYBLSEWIB-GFCCVEGCSA-N 1 3 301.350 0.854 20 0 DCADHO O=C(Nc1cc(-c2ccccc2O)no1)[C@H]1C[NH2+]CC12CNC2 ZINC001218711766 774285797 /nfs/dbraw/zinc/28/57/97/774285797.db2.gz DPABJSFSPDQJMF-LLVKDONJSA-N 1 3 314.345 0.795 20 0 DCADHO CCCN1CCc2c(N)sc(NC(=O)[C@@H]3C[C@H]([NH3+])CN3)c2C1 ZINC001218754106 774297846 /nfs/dbraw/zinc/29/78/46/774297846.db2.gz MCWTZBJAOCDFAA-CABZTGNLSA-N 1 3 323.466 0.726 20 0 DCADHO COc1cccc2ncnc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)c21 ZINC001218787823 774301939 /nfs/dbraw/zinc/30/19/39/774301939.db2.gz HNVIGYHRNQAGOG-JTQLQIEISA-N 1 3 313.361 0.386 20 0 DCADHO N[C@H](C(=O)Nc1nnccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218800080 774305332 /nfs/dbraw/zinc/30/53/32/774305332.db2.gz GOFUGMCAUHHOSV-VIFPVBQESA-N 1 3 303.288 0.761 20 0 DCADHO COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc(OC)c1 ZINC001218808540 774308389 /nfs/dbraw/zinc/30/83/89/774308389.db2.gz FHCYEQKVVTVJCY-BDJLRTHQSA-N 1 3 305.378 0.841 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218817637 774309981 /nfs/dbraw/zinc/30/99/81/774309981.db2.gz ZTHRNCJBZKUFHV-LBPRGKRZSA-N 1 3 306.366 0.204 20 0 DCADHO N[C@H](C(=O)Nc1ccc(Cn2cncn2)cc1)C1CC[NH2+]CC1 ZINC001218836147 774312885 /nfs/dbraw/zinc/31/28/85/774312885.db2.gz FEBGNUBJFUVJAU-HNNXBMFYSA-N 1 3 314.393 0.592 20 0 DCADHO OCCN1CCC(NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200442452 774342511 /nfs/dbraw/zinc/34/25/11/774342511.db2.gz LEDWSSDRNWVURT-UHFFFAOYSA-N 1 3 314.499 0.393 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCCF)C2)CC[N@@H+]1C ZINC001200546385 774365447 /nfs/dbraw/zinc/36/54/47/774365447.db2.gz CSRJAYPQNQPTTB-HZSPNIEDSA-N 1 3 301.406 0.503 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCCF)C2)CC[N@H+]1C ZINC001200546385 774365455 /nfs/dbraw/zinc/36/54/55/774365455.db2.gz CSRJAYPQNQPTTB-HZSPNIEDSA-N 1 3 301.406 0.503 20 0 DCADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CNC[C@H](F)C1 ZINC001219115534 774376650 /nfs/dbraw/zinc/37/66/50/774376650.db2.gz CJRDYQPSXUVADD-CHWSQXEVSA-N 1 3 306.385 0.982 20 0 DCADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCCF)CC1 ZINC001200657900 774392283 /nfs/dbraw/zinc/39/22/83/774392283.db2.gz FCCOKJUAIQWBSW-GJZGRUSLSA-N 1 3 313.417 0.790 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688767 774393520 /nfs/dbraw/zinc/39/35/20/774393520.db2.gz VSEDMLITFLQBNY-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO Nc1ccc2c(c1)CCCN2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219266741 774429596 /nfs/dbraw/zinc/42/95/96/774429596.db2.gz UZOQNOKZNARBPI-CXAGYDPISA-N 1 3 300.406 0.747 20 0 DCADHO COCCCN(C(=O)[C@H](N)C1CC[NH2+]CC1)c1ccccc1N ZINC001219277915 774432782 /nfs/dbraw/zinc/43/27/82/774432782.db2.gz FEBILCIROIKTGH-MRXNPFEDSA-N 1 3 320.437 0.965 20 0 DCADHO CN1c2cc(NC(=O)[C@@H](N)CCC[NH3+])ccc2C(C)(C)C1=O ZINC001219328072 774450283 /nfs/dbraw/zinc/45/02/83/774450283.db2.gz CLJVDDKMXLQGFF-LBPRGKRZSA-N 1 3 304.394 0.945 20 0 DCADHO CN1c2ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc2CNC1=O ZINC001219335092 774452889 /nfs/dbraw/zinc/45/28/89/774452889.db2.gz ULVMWVFUNPMLLR-LBPRGKRZSA-N 1 3 305.382 0.741 20 0 DCADHO COC(=O)c1cc(NC(=O)[C@H](N)CCC[NH3+])cc2n[nH]cc21 ZINC001219338224 774455273 /nfs/dbraw/zinc/45/52/73/774455273.db2.gz GMQQLFKHMGYZDZ-LLVKDONJSA-N 1 3 305.338 0.354 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CCCO1 ZINC001201402860 774501800 /nfs/dbraw/zinc/50/18/00/774501800.db2.gz GTAJKNFSEMFIGH-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201494555 774517329 /nfs/dbraw/zinc/51/73/29/774517329.db2.gz VMRZQTWHXXJJFG-TZMCWYRMSA-N 1 3 310.398 0.194 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc2c(n1)CCNC2 ZINC001219616392 774558766 /nfs/dbraw/zinc/55/87/66/774558766.db2.gz ZWWPHGCCGOMEII-CYBMUJFWSA-N 1 3 314.311 0.752 20 0 DCADHO N[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCc2cc(F)ccc2C1 ZINC001219635502 774568361 /nfs/dbraw/zinc/56/83/61/774568361.db2.gz JQSYBQCWSLIYLP-DZKIICNBSA-N 1 3 309.360 0.828 20 0 DCADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714010 774588635 /nfs/dbraw/zinc/58/86/35/774588635.db2.gz DBFYVYFKRNNJQD-RRFJBIMHSA-N 1 3 321.421 0.183 20 0 DCADHO Cc1ccc(CSC[C@H](N)C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219720622 774591879 /nfs/dbraw/zinc/59/18/79/774591879.db2.gz NYSPHAJGLVQUTQ-MELADBBJSA-N 1 3 309.435 0.398 20 0 DCADHO CN[C@@H](CO)C(=O)N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001219757176 774599297 /nfs/dbraw/zinc/59/92/97/774599297.db2.gz IGYMZVYFNUYJGE-HOTGVXAUSA-N 1 3 317.433 0.758 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1csc([C@H]2CCCN2)n1 ZINC001219849511 774627196 /nfs/dbraw/zinc/62/71/96/774627196.db2.gz CADJGZYXFXHEQP-MEWQQHAOSA-N 1 3 322.434 0.817 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353642 774640186 /nfs/dbraw/zinc/64/01/86/774640186.db2.gz PFNLCOFIJDOOTC-HUUCEWRRSA-N 1 3 315.458 0.161 20 0 DCADHO O=C(NC[C@H](O)c1ccc(O)cc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220113093 774697146 /nfs/dbraw/zinc/69/71/46/774697146.db2.gz JTWWWKKJGDBCTN-GJZGRUSLSA-N 1 3 319.405 0.416 20 0 DCADHO O=C(NC[C@H](O)c1ccc(O)cc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220113093 774697150 /nfs/dbraw/zinc/69/71/50/774697150.db2.gz JTWWWKKJGDBCTN-GJZGRUSLSA-N 1 3 319.405 0.416 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163882 774715850 /nfs/dbraw/zinc/71/58/50/774715850.db2.gz WJSUVQDXZHVNIY-QDEZUTFSSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(=O)N(C)C ZINC001202495317 774721330 /nfs/dbraw/zinc/72/13/30/774721330.db2.gz DGZSOFRMLAXOBH-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC23CNC3)CCCC1 ZINC001220216976 774737580 /nfs/dbraw/zinc/73/75/80/774737580.db2.gz GXOHXJKZSYTUAA-GFCCVEGCSA-N 1 3 307.394 0.303 20 0 DCADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)CN1CCCC[C@H](N)C1=O ZINC001220221027 774738884 /nfs/dbraw/zinc/73/88/84/774738884.db2.gz OJIJUXXNJYYMCJ-IHRRRGAJSA-N 1 3 310.442 0.315 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)CC1 ZINC001220269140 774751204 /nfs/dbraw/zinc/75/12/04/774751204.db2.gz QIXKRBMDSRZLHK-CABCVRRESA-N 1 3 315.433 0.629 20 0 DCADHO CC[C@]1(C(=O)NCc2ncn3c2CNCCC3)CCC[NH2+]C1 ZINC001220312109 774766715 /nfs/dbraw/zinc/76/67/15/774766715.db2.gz WWQCRZWBHPPULD-INIZCTEOSA-N 1 3 305.426 0.772 20 0 DCADHO O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1ccc2c(n1)CCNC2 ZINC001220324131 774771968 /nfs/dbraw/zinc/77/19/68/774771968.db2.gz YLRMQXOKFLNOEX-GUYCJALGSA-N 1 3 316.405 0.368 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC)C[C@H]21 ZINC001114369042 774817742 /nfs/dbraw/zinc/81/77/42/774817742.db2.gz YDQFRKNKSOBDEX-QXSJWSMHSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC)C[C@H]21 ZINC001114369042 774817750 /nfs/dbraw/zinc/81/77/50/774817750.db2.gz YDQFRKNKSOBDEX-QXSJWSMHSA-N 1 3 309.454 0.944 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C2CCC([NH2+]C)CC2)CCNC1 ZINC001220521324 774834975 /nfs/dbraw/zinc/83/49/75/774834975.db2.gz CBMCAQGIXIWCJI-UHFFFAOYSA-N 1 3 309.410 0.691 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C2(C(C)C)CC[NH2+]CC2)CCNC1 ZINC001220523935 774835558 /nfs/dbraw/zinc/83/55/58/774835558.db2.gz VPHWAFKLAAJCGB-UHFFFAOYSA-N 1 3 323.437 0.939 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114409698 774846876 /nfs/dbraw/zinc/84/68/76/774846876.db2.gz POVKGVDVSUMGTP-FXUDXRNXSA-N 1 3 309.454 0.800 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114409698 774846885 /nfs/dbraw/zinc/84/68/85/774846885.db2.gz POVKGVDVSUMGTP-FXUDXRNXSA-N 1 3 309.454 0.800 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21)C1CCC1 ZINC001114412510 774849468 /nfs/dbraw/zinc/84/94/68/774849468.db2.gz ZFDKJDLKNQNIMU-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21)C1CCC1 ZINC001114412510 774849475 /nfs/dbraw/zinc/84/94/75/774849475.db2.gz ZFDKJDLKNQNIMU-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO O=C(N[C@H]1CCc2ccc(O)cc2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220592330 774857685 /nfs/dbraw/zinc/85/76/85/774857685.db2.gz HDQDJOHZDFHGDK-ZFWWWQNUSA-N 1 3 301.390 0.175 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001220682988 774889676 /nfs/dbraw/zinc/88/96/76/774889676.db2.gz JUMPVHZSZFCBPU-SJORKVTESA-N 1 3 319.449 0.732 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001220682988 774889682 /nfs/dbraw/zinc/88/96/82/774889682.db2.gz JUMPVHZSZFCBPU-SJORKVTESA-N 1 3 319.449 0.732 20 0 DCADHO C[C@](CO)(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001220712293 774899127 /nfs/dbraw/zinc/89/91/27/774899127.db2.gz YSBWRDOTZOSYDQ-NVXWUHKLSA-N 1 3 317.433 0.885 20 0 DCADHO C[C@](CO)(NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001220712293 774899134 /nfs/dbraw/zinc/89/91/34/774899134.db2.gz YSBWRDOTZOSYDQ-NVXWUHKLSA-N 1 3 317.433 0.885 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755464 774908866 /nfs/dbraw/zinc/90/88/66/774908866.db2.gz PJBMXGZZXICYST-BKBHSOPASA-N 1 3 309.454 0.846 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755464 774908869 /nfs/dbraw/zinc/90/88/69/774908869.db2.gz PJBMXGZZXICYST-BKBHSOPASA-N 1 3 309.454 0.846 20 0 DCADHO CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220757110 774908936 /nfs/dbraw/zinc/90/89/36/774908936.db2.gz UNSNJPKYFZTWFE-JSGCOSHPSA-N 1 3 300.447 0.370 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220785819 774914720 /nfs/dbraw/zinc/91/47/20/774914720.db2.gz DDZOEMSBEVUTJT-KCQAQPDRSA-N 1 3 320.393 0.129 20 0 DCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000874823608 774916270 /nfs/dbraw/zinc/91/62/70/774916270.db2.gz BHIWQXBMVFYJIW-GJZGRUSLSA-N 1 3 305.426 0.753 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)NCCO[C@H]2CC[NH2+]C2)c(C)c1 ZINC001220937188 774957537 /nfs/dbraw/zinc/95/75/37/774957537.db2.gz NTRNXZMJBKQWBC-HOTGVXAUSA-N 1 3 305.422 0.668 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@@H]2O)C1 ZINC001220976108 774967789 /nfs/dbraw/zinc/96/77/89/774967789.db2.gz JPZNURVIGNWWNE-KFWWJZLASA-N 1 3 311.470 0.926 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@@H]2O)C1 ZINC001220976108 774967794 /nfs/dbraw/zinc/96/77/94/774967794.db2.gz JPZNURVIGNWWNE-KFWWJZLASA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CC1(NC(=O)[C@@H](N)CSCC[NH3+])CCOCC1 ZINC001221000989 774974027 /nfs/dbraw/zinc/97/40/27/774974027.db2.gz JMVIEURGBNLNIU-LBPRGKRZSA-N 1 3 303.472 0.717 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666718 774983982 /nfs/dbraw/zinc/98/39/82/774983982.db2.gz AYQOUTHQBZPIPO-UHFFFAOYSA-N 1 3 307.398 0.059 20 0 DCADHO CCCCNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202669128 774984878 /nfs/dbraw/zinc/98/48/78/774984878.db2.gz YLVYNTMLYHDSAN-UHFFFAOYSA-N 1 3 321.425 0.449 20 0 DCADHO NC1(C(=O)NCC2(c3ccccn3)CC[NH2+]CC2)CC(F)C1 ZINC001221116136 774999448 /nfs/dbraw/zinc/99/94/48/774999448.db2.gz NAROPQBYXWDZEA-UHFFFAOYSA-N 1 3 306.385 0.648 20 0 DCADHO N[C@@H](C(=O)NC[C@@H]1c2ccccc2NC1=O)C1CC[NH2+]CC1 ZINC001221309240 775064252 /nfs/dbraw/zinc/06/42/52/775064252.db2.gz MHMITWMFRJXWQS-TZMCWYRMSA-N 1 3 302.378 0.165 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1cnn(-c2ccccc2)c(=O)c1 ZINC001221330384 775070766 /nfs/dbraw/zinc/07/07/66/775070766.db2.gz ORSAADVSSNFLNO-CYBMUJFWSA-N 1 3 301.350 0.237 20 0 DCADHO O=C(NC[C@H](O)c1cc2ccccc2o1)[C@H]1C[NH2+]CC12CNC2 ZINC001221331104 775070970 /nfs/dbraw/zinc/07/09/70/775070970.db2.gz LQMMNTKKRPQWPL-OLZOCXBDSA-N 1 3 315.373 0.391 20 0 DCADHO O=C(N[C@@H]1CCc2c1c(F)ccc2F)[C@H]1C[NH2+]CC12CNC2 ZINC001221364593 775077025 /nfs/dbraw/zinc/07/70/25/775077025.db2.gz WQYVQABUMJYFKI-ZWNOBZJWSA-N 1 3 307.344 0.877 20 0 DCADHO COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001221366838 775078027 /nfs/dbraw/zinc/07/80/27/775078027.db2.gz UAKBPTHKSUMJNL-KBPBESRZSA-N 1 3 323.393 0.079 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)C[C@@H]3CCC[NH2+]C3)CC2)NC1 ZINC001221390542 775083241 /nfs/dbraw/zinc/08/32/41/775083241.db2.gz DTVIEGQKANUGPG-ZDUSSCGKSA-N 1 3 304.438 0.944 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)NC1 ZINC001221390550 775083611 /nfs/dbraw/zinc/08/36/11/775083611.db2.gz FABQGYUMEYNOSV-RHSMWYFYSA-N 1 3 302.422 0.554 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CCCC[NH2+]C3)CC2)NC1 ZINC001221392132 775083728 /nfs/dbraw/zinc/08/37/28/775083728.db2.gz SMXRWUVDGBONFI-AWEZNQCLSA-N 1 3 304.438 0.944 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492110 775365890 /nfs/dbraw/zinc/36/58/90/775365890.db2.gz OLNXOBIZKUWVTJ-MQYQWHSLSA-N 1 3 302.413 0.503 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223472731 775493605 /nfs/dbraw/zinc/49/36/05/775493605.db2.gz ULGYLJRIAPSVEY-WFASDCNBSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001227618318 775991159 /nfs/dbraw/zinc/99/11/59/775991159.db2.gz DZVHIAAOSDZXBE-GXTWGEPZSA-N 1 3 303.422 0.628 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662159 776017187 /nfs/dbraw/zinc/01/71/87/776017187.db2.gz DZXCPRABJRRSBJ-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662159 776017192 /nfs/dbraw/zinc/01/71/92/776017192.db2.gz DZXCPRABJRRSBJ-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO CN(CCC(=O)NC1CCN(CCO)CC1)c1cc[nH+]cc1 ZINC001228096188 776047135 /nfs/dbraw/zinc/04/71/35/776047135.db2.gz LYZZSQZMTNDXBF-UHFFFAOYSA-N 1 3 306.410 0.481 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC)C(N)=O ZINC001229239113 776173536 /nfs/dbraw/zinc/17/35/36/776173536.db2.gz XCHRDZRGTIEULC-BFHYXJOUSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001230284925 776275857 /nfs/dbraw/zinc/27/58/57/776275857.db2.gz XZPKPUPDZVJPDJ-MCIONIFRSA-N 1 3 310.442 0.232 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC001041713222 777443190 /nfs/dbraw/zinc/44/31/90/777443190.db2.gz FXKITVLKXYARAQ-WMLDXEAASA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC001041713222 777443195 /nfs/dbraw/zinc/44/31/95/777443195.db2.gz FXKITVLKXYARAQ-WMLDXEAASA-N 1 3 318.421 0.913 20 0 DCADHO NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277981480 945080868 /nfs/dbraw/zinc/08/08/68/945080868.db2.gz JSEXVPPMXIDUTF-BETUJISGSA-N 1 3 304.394 0.416 20 0 DCADHO NC(=O)CN1C[C@@H]2CC[N@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277981480 945080879 /nfs/dbraw/zinc/08/08/79/945080879.db2.gz JSEXVPPMXIDUTF-BETUJISGSA-N 1 3 304.394 0.416 20 0 DCADHO CN(CCNCC(=O)N1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661467 945152208 /nfs/dbraw/zinc/15/22/08/945152208.db2.gz MCHAJRJZVCMMFU-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCNCC(=O)N1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317661467 945152218 /nfs/dbraw/zinc/15/22/18/945152218.db2.gz MCHAJRJZVCMMFU-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[N@@H+]1CCC[C@H](CN2CC3(C[C@H]3C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278148120 945156669 /nfs/dbraw/zinc/15/66/69/945156669.db2.gz LYHGBBSQIUXMOJ-ZFWWWQNUSA-N 1 3 317.437 0.690 20 0 DCADHO C[N@H+]1CCC[C@H](CN2CC3(C[C@H]3C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278148120 945156677 /nfs/dbraw/zinc/15/66/77/945156677.db2.gz LYHGBBSQIUXMOJ-ZFWWWQNUSA-N 1 3 317.437 0.690 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266567551 939166115 /nfs/dbraw/zinc/16/61/15/939166115.db2.gz IJWPGKLBWBVTKU-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001267113337 939348200 /nfs/dbraw/zinc/34/82/00/939348200.db2.gz IRHANUJINOOTCJ-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001267113337 939348202 /nfs/dbraw/zinc/34/82/02/939348202.db2.gz IRHANUJINOOTCJ-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1cncn1C ZINC001267118021 939349623 /nfs/dbraw/zinc/34/96/23/939349623.db2.gz ZINIHKLNZFJYIN-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1cncn1C ZINC001267118021 939349625 /nfs/dbraw/zinc/34/96/25/939349625.db2.gz ZINIHKLNZFJYIN-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCCN2CC(N)=O)C1 ZINC001267178468 939372735 /nfs/dbraw/zinc/37/27/35/939372735.db2.gz ADGAJOVNIPAYRZ-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCCN2CC(N)=O)C1 ZINC001267178468 939372737 /nfs/dbraw/zinc/37/27/37/939372737.db2.gz ADGAJOVNIPAYRZ-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2CCOCC2CC2)C1 ZINC001267282006 939414057 /nfs/dbraw/zinc/41/40/57/939414057.db2.gz NXCWKHSPKZBVLJ-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2CCOCC2CC2)C1 ZINC001267282006 939414058 /nfs/dbraw/zinc/41/40/58/939414058.db2.gz NXCWKHSPKZBVLJ-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NCCN(C)C(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001408596078 939421562 /nfs/dbraw/zinc/42/15/62/939421562.db2.gz QZQUGJMTYMJIBG-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001481214940 939641425 /nfs/dbraw/zinc/64/14/25/939641425.db2.gz CPXFDQSTAGIIHX-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001481319565 939746278 /nfs/dbraw/zinc/74/62/78/939746278.db2.gz IVJICKAEPOTFGL-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481644346 939997877 /nfs/dbraw/zinc/99/78/77/939997877.db2.gz GZFZIYIDCOEIJS-MLGOLLRUSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481644346 939997879 /nfs/dbraw/zinc/99/78/79/939997879.db2.gz GZFZIYIDCOEIJS-MLGOLLRUSA-N 1 3 315.433 0.628 20 0 DCADHO CCNC(=O)CN[C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001481855247 940162363 /nfs/dbraw/zinc/16/23/63/940162363.db2.gz JXVCSSFZDMJRFN-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001481941684 940190671 /nfs/dbraw/zinc/19/06/71/940190671.db2.gz WSYNZOJVXWNIFZ-SUMWQHHRSA-N 1 3 324.469 0.339 20 0 DCADHO O[C@]1(CN[C@@H]2CCNC[C@@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001245971725 945302474 /nfs/dbraw/zinc/30/24/74/945302474.db2.gz GYNAFOWXCDTRIC-BBWFWOEESA-N 1 3 307.413 0.913 20 0 DCADHO O[C@]1(CN[C@@H]2CCNC[C@@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001245971725 945302482 /nfs/dbraw/zinc/30/24/82/945302482.db2.gz GYNAFOWXCDTRIC-BBWFWOEESA-N 1 3 307.413 0.913 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001268539066 940223699 /nfs/dbraw/zinc/22/36/99/940223699.db2.gz PUOJDGVQJHFUIG-URWSZGRFSA-N 1 3 310.442 0.387 20 0 DCADHO NC1(C[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CCCC1 ZINC001245977544 945304757 /nfs/dbraw/zinc/30/47/57/945304757.db2.gz YCWQGFGFRXSEFK-HNNXBMFYSA-N 1 3 308.422 0.822 20 0 DCADHO OCCc1ccc(OC[C@H](O)CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC001245980291 945305863 /nfs/dbraw/zinc/30/58/63/945305863.db2.gz IFJWWZZXINSPCJ-HZPDHXFCSA-N 1 3 308.422 0.550 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001482107028 940259496 /nfs/dbraw/zinc/25/94/96/940259496.db2.gz FLOKNWKDUNNSSA-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+][C@H]1CCNC1=O ZINC001482142921 940280892 /nfs/dbraw/zinc/28/08/92/940280892.db2.gz LQVTZNRJZGYMBT-STQMWFEESA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268597189 940289503 /nfs/dbraw/zinc/28/95/03/940289503.db2.gz QTDKDHRFVWGYBV-NHQLZKDQSA-N 1 3 324.469 0.646 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268597189 940289505 /nfs/dbraw/zinc/28/95/05/940289505.db2.gz QTDKDHRFVWGYBV-NHQLZKDQSA-N 1 3 324.469 0.646 20 0 DCADHO C[C@@H](C[NH2+]CCCN1CCCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001268704755 940336534 /nfs/dbraw/zinc/33/65/34/940336534.db2.gz QIGSDDGTDMOIRU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001246010691 945313256 /nfs/dbraw/zinc/31/32/56/945313256.db2.gz YORXXYHLZJODRQ-HOTGVXAUSA-N 1 3 323.437 0.527 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001268958932 940418748 /nfs/dbraw/zinc/41/87/48/940418748.db2.gz RGBZMKWEGQFYQV-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCNC[C@@H]1C(F)(F)F ZINC001246057897 945330046 /nfs/dbraw/zinc/33/00/46/945330046.db2.gz HXJOTVODWJLWDK-BFHYXJOUSA-N 1 3 317.355 0.753 20 0 DCADHO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246089484 945337957 /nfs/dbraw/zinc/33/79/57/945337957.db2.gz QQBDDHMFIZRLKF-SFDCQRBFSA-N 1 3 302.390 0.760 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001269710486 940760556 /nfs/dbraw/zinc/76/05/56/940760556.db2.gz GENWBWLDCCGNMX-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001270180985 940851433 /nfs/dbraw/zinc/85/14/33/940851433.db2.gz QQPVHLKJUJYLIV-QXMXGUDHSA-N 1 3 319.409 0.152 20 0 DCADHO NC(=O)CNC[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001270193975 940853356 /nfs/dbraw/zinc/85/33/56/940853356.db2.gz NWFRAEXVLWLFFQ-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N[C@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246181746 945357965 /nfs/dbraw/zinc/35/79/65/945357965.db2.gz RQTSJTRPPRNWFO-WOSRLPQWSA-N 1 3 311.426 0.171 20 0 DCADHO CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC1C[C@@H]2COC[C@H](C1)N2 ZINC001246206577 945362229 /nfs/dbraw/zinc/36/22/29/945362229.db2.gz IBKGTTKHNLOQLY-GSPSYOTPSA-N 1 3 313.442 0.545 20 0 DCADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001270672145 940962661 /nfs/dbraw/zinc/96/26/61/940962661.db2.gz IREQTMBKHAVLOX-UYTSQGDYSA-N 1 3 308.470 0.754 20 0 DCADHO CN(CC[NH2+][C@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001493501669 941013461 /nfs/dbraw/zinc/01/34/61/941013461.db2.gz WOHHCTRDVVRLES-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001482354016 941017670 /nfs/dbraw/zinc/01/76/70/941017670.db2.gz NBCLQTLFARSFNR-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365276 941023106 /nfs/dbraw/zinc/02/31/06/941023106.db2.gz UNCMTARDGAYFNG-JSGCOSHPSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482365276 941023108 /nfs/dbraw/zinc/02/31/08/941023108.db2.gz UNCMTARDGAYFNG-JSGCOSHPSA-N 1 3 307.442 0.617 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001482366118 941023496 /nfs/dbraw/zinc/02/34/96/941023496.db2.gz NZYHCMILQVOGAJ-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001482368991 941025323 /nfs/dbraw/zinc/02/53/23/941025323.db2.gz KDKXVTCOUIKRIF-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH2+]CCCO)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271540152 941398708 /nfs/dbraw/zinc/39/87/08/941398708.db2.gz PUIOTHDXMNCKNK-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)N2CCC2)C1 ZINC001482660983 941613233 /nfs/dbraw/zinc/61/32/33/941613233.db2.gz BWXDVAQKXLOTTJ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482962890 941728414 /nfs/dbraw/zinc/72/84/14/941728414.db2.gz QBEARBXDAMTYAJ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482962890 941728415 /nfs/dbraw/zinc/72/84/15/941728415.db2.gz QBEARBXDAMTYAJ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001483167786 941919352 /nfs/dbraw/zinc/91/93/52/941919352.db2.gz ZJFVPJYNMBAWER-RDBSUJKOSA-N 1 3 314.474 0.676 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001483197187 941932044 /nfs/dbraw/zinc/93/20/44/941932044.db2.gz ZRIXEGAUEFBJJJ-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594220 942028161 /nfs/dbraw/zinc/02/81/61/942028161.db2.gz RGJBWLFDLJVRLK-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594220 942028162 /nfs/dbraw/zinc/02/81/62/942028162.db2.gz RGJBWLFDLJVRLK-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1O ZINC001083594220 942028165 /nfs/dbraw/zinc/02/81/65/942028165.db2.gz RGJBWLFDLJVRLK-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001083594220 942028166 /nfs/dbraw/zinc/02/81/66/942028166.db2.gz RGJBWLFDLJVRLK-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCN1CCCC1=O ZINC001483297015 942246998 /nfs/dbraw/zinc/24/69/98/942246998.db2.gz VCBBRFYVMSEMBO-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CCC[NH+]1CCCC1)C(=O)N(C)C ZINC001483296614 942249251 /nfs/dbraw/zinc/24/92/51/942249251.db2.gz LXXFHOCNJXTLKP-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001483296302 942249557 /nfs/dbraw/zinc/24/95/57/942249557.db2.gz CNFPPVPYAXBACB-AWEZNQCLSA-N 1 3 309.458 0.934 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066213 942424140 /nfs/dbraw/zinc/42/41/40/942424140.db2.gz JXKCHDKGXAQPRX-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066213 942424142 /nfs/dbraw/zinc/42/41/42/942424142.db2.gz JXKCHDKGXAQPRX-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001127082597 942465614 /nfs/dbraw/zinc/46/56/14/942465614.db2.gz VZXUSBTWOYGZRH-OCCSQVGLSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001127082597 942465617 /nfs/dbraw/zinc/46/56/17/942465617.db2.gz VZXUSBTWOYGZRH-OCCSQVGLSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)(O)C[C@@H](O)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413089093 942492837 /nfs/dbraw/zinc/49/28/37/942492837.db2.gz NZOAMTROPREXHT-OAHLLOKOSA-N 1 3 314.470 0.821 20 0 DCADHO CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001483805181 942966228 /nfs/dbraw/zinc/96/62/28/942966228.db2.gz FGSUNIXEDGZCRR-GOOCMWNKSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001484551147 943450245 /nfs/dbraw/zinc/45/02/45/943450245.db2.gz CIHZNLKRMPKHMS-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001484662143 943499493 /nfs/dbraw/zinc/49/94/93/943499493.db2.gz ABOQAJCNZXHDIR-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001484662143 943499506 /nfs/dbraw/zinc/49/95/06/943499506.db2.gz ABOQAJCNZXHDIR-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001413694719 943589777 /nfs/dbraw/zinc/58/97/77/943589777.db2.gz UWPGTIPWCCSZGH-LRDDRELGSA-N 1 3 313.417 0.788 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001413694719 943589781 /nfs/dbraw/zinc/58/97/81/943589781.db2.gz UWPGTIPWCCSZGH-LRDDRELGSA-N 1 3 313.417 0.788 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(O)(CNCCF)CC1 ZINC001484955306 943637030 /nfs/dbraw/zinc/63/70/30/943637030.db2.gz YPEGZAHZELDOOM-CQSZACIVSA-N 1 3 313.417 0.241 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@]23CCOC3)C1 ZINC001491073752 943738800 /nfs/dbraw/zinc/73/88/00/943738800.db2.gz RLIVPMSRIQXQTN-AIANPOQGSA-N 1 3 309.454 0.992 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485198626 943742158 /nfs/dbraw/zinc/74/21/58/943742158.db2.gz JNZMKTNPUFVQME-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCn1cccn1 ZINC001485351612 943867302 /nfs/dbraw/zinc/86/73/02/943867302.db2.gz VJYMQFYKEMUURQ-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCn1cccn1 ZINC001485351612 943867314 /nfs/dbraw/zinc/86/73/14/943867314.db2.gz VJYMQFYKEMUURQ-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001203010355 944142702 /nfs/dbraw/zinc/14/27/02/944142702.db2.gz KSGISTRFQFXMRJ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2ccc[nH]c2=O)C1=O ZINC001272794585 944228217 /nfs/dbraw/zinc/22/82/17/944228217.db2.gz VVZMSPZBUVJIFG-KRWDZBQOSA-N 1 3 318.421 0.916 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2cc[nH]c(=O)c2)C1=O ZINC001272823226 944259587 /nfs/dbraw/zinc/25/95/87/944259587.db2.gz AYJLSWBBIYBIDU-KRWDZBQOSA-N 1 3 318.421 0.916 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001485908609 944397917 /nfs/dbraw/zinc/39/79/17/944397917.db2.gz VYWICUKTHYAOIR-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(C)(C)C ZINC001485943829 944424157 /nfs/dbraw/zinc/42/41/57/944424157.db2.gz FMBMTROOIUMLNN-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCCCO1)C1CCC1 ZINC001486003862 944489626 /nfs/dbraw/zinc/48/96/26/944489626.db2.gz HVHDWPXZXWEKCK-HIFRSBDPSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001486087502 944546816 /nfs/dbraw/zinc/54/68/16/944546816.db2.gz LBSYVOQZVSKVFJ-HIFRSBDPSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001486087502 944546820 /nfs/dbraw/zinc/54/68/20/944546820.db2.gz LBSYVOQZVSKVFJ-HIFRSBDPSA-N 1 3 324.469 0.705 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)[C@H]1C ZINC001486091813 944551169 /nfs/dbraw/zinc/55/11/69/944551169.db2.gz AQXKBUAKXPZKIF-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)[C@H]1C ZINC001486091813 944551176 /nfs/dbraw/zinc/55/11/76/944551176.db2.gz AQXKBUAKXPZKIF-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H]1CCCN(C)C1=O ZINC001316887687 944616471 /nfs/dbraw/zinc/61/64/71/944616471.db2.gz SDTUVCPEAMMUAG-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H]1CCCN(C)C1=O ZINC001316887687 944616474 /nfs/dbraw/zinc/61/64/74/944616474.db2.gz SDTUVCPEAMMUAG-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]C/C=C\Cl)N(C)C ZINC001486282572 944693920 /nfs/dbraw/zinc/69/39/20/944693920.db2.gz DZSWBUPIYIXZKF-FAVCKAPTSA-N 1 3 305.850 0.734 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccc1F)C(=O)CC[NH+](C)C ZINC001486297579 944739794 /nfs/dbraw/zinc/73/97/94/944739794.db2.gz GEGCNLMLNXYBQX-AWEZNQCLSA-N 1 3 311.401 0.686 20 0 DCADHO CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001486423930 944871514 /nfs/dbraw/zinc/87/15/14/944871514.db2.gz KCVCKSBJEKOYEB-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001486481510 944917094 /nfs/dbraw/zinc/91/70/94/944917094.db2.gz QUAFVCALXVYXAQ-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC001486484090 944918708 /nfs/dbraw/zinc/91/87/08/944918708.db2.gz VUJYIOQWBXBQRY-UHFFFAOYSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001317340539 944932123 /nfs/dbraw/zinc/93/21/23/944932123.db2.gz YLEQRGWWZXSEJQ-HUUCEWRRSA-N 1 3 320.441 0.058 20 0 DCADHO COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2CC1CC[NH+](C)CC1 ZINC001277797745 944981333 /nfs/dbraw/zinc/98/13/33/944981333.db2.gz VWXOMDHUMQELMZ-DOTOQJQBSA-N 1 3 309.454 0.897 20 0 DCADHO C[NH+]1CCC(CCN2CC3(C[C@@H]3C(=O)NCC3COC3)C2)CC1 ZINC001277838322 945002784 /nfs/dbraw/zinc/00/27/84/945002784.db2.gz JWEIEDLFMQLXIQ-MRXNPFEDSA-N 1 3 321.465 0.803 20 0 DCADHO C[NH+](C)C1CCN(C(=O)[C@@H]2CC23CN(CC2(C)COC2)C3)CC1 ZINC001277933159 945045070 /nfs/dbraw/zinc/04/50/70/945045070.db2.gz CJSXSHSWSSEOIW-HNNXBMFYSA-N 1 3 321.465 0.897 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001246417968 945407821 /nfs/dbraw/zinc/40/78/21/945407821.db2.gz PWEZERLQVUCLDK-HOTGVXAUSA-N 1 3 304.438 0.833 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001246419498 945407847 /nfs/dbraw/zinc/40/78/47/945407847.db2.gz VYKXSCDBCAPTBD-INIZCTEOSA-N 1 3 319.453 0.619 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](N2CCC[C@H]([NH3+])CC2)C[C@H]1C(=O)OC ZINC001246548173 945429406 /nfs/dbraw/zinc/42/94/06/945429406.db2.gz SFUYCFBLGAKKQT-REWJHTLYSA-N 1 3 312.410 0.931 20 0 DCADHO CC[C@@H]1C[C@@H](N2CCOC[C@]3(CNCCO3)C2)C[C@H](CC)[NH2+]1 ZINC001246599610 945442296 /nfs/dbraw/zinc/44/22/96/945442296.db2.gz DOJIDLPBQUYLDG-YVSFHVDLSA-N 1 3 311.470 0.986 20 0 DCADHO CCOC(=O)CN1CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618902 945444722 /nfs/dbraw/zinc/44/47/22/945444722.db2.gz OFVRRSVBUUXKLW-HOTGVXAUSA-N 1 3 324.469 0.040 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CC[NH2+]C[C@@]3(CCCCN3)C2)CN1 ZINC001246637570 945449923 /nfs/dbraw/zinc/44/99/23/945449923.db2.gz YOFYXSXEJAHSPO-HYVNUMGLSA-N 1 3 324.469 0.088 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CCNC[C@@]3(CCCC[NH2+]3)C2)CN1 ZINC001246637570 945449928 /nfs/dbraw/zinc/44/99/28/945449928.db2.gz YOFYXSXEJAHSPO-HYVNUMGLSA-N 1 3 324.469 0.088 20 0 DCADHO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCNCC2)O1)N1CCCCO1 ZINC001246692085 945462411 /nfs/dbraw/zinc/46/24/11/945462411.db2.gz FFSGPHFBKOMYHH-OAGGEKHMSA-N 1 3 323.437 0.914 20 0 DCADHO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCNCC2)O1)N1CCCCO1 ZINC001246692085 945462412 /nfs/dbraw/zinc/46/24/12/945462412.db2.gz FFSGPHFBKOMYHH-OAGGEKHMSA-N 1 3 323.437 0.914 20 0 DCADHO O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C2CC[NH2+]CC2)O1)N1CCCCO1 ZINC001246692085 945462415 /nfs/dbraw/zinc/46/24/15/945462415.db2.gz FFSGPHFBKOMYHH-OAGGEKHMSA-N 1 3 323.437 0.914 20 0 DCADHO CC(=O)N1CCO[C@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]21 ZINC001246695496 945463362 /nfs/dbraw/zinc/46/33/62/945463362.db2.gz OYCYLFVHYKAQBA-OZSLIKBDSA-N 1 3 307.438 0.981 20 0 DCADHO O=C(c1nn(C2CC[NH2+]CC2)c2c1CNCC2)N1CCCC1 ZINC001246704906 945465804 /nfs/dbraw/zinc/46/58/04/945465804.db2.gz VASLJPMSIONQIT-UHFFFAOYSA-N 1 3 303.410 0.689 20 0 DCADHO c1ncc(O[C@H]2C[C@H]3CN(C4CC[NH2+]CC4)CCN3C2)cn1 ZINC001246709469 945467150 /nfs/dbraw/zinc/46/71/50/945467150.db2.gz ONPYPBKKZRZJAI-GJZGRUSLSA-N 1 3 303.410 0.366 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246712996 945469350 /nfs/dbraw/zinc/46/93/50/945469350.db2.gz FUZDFHPGLZKZIY-UVPYHEFZSA-N 1 3 324.469 0.735 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246712996 945469355 /nfs/dbraw/zinc/46/93/55/945469355.db2.gz FUZDFHPGLZKZIY-UVPYHEFZSA-N 1 3 324.469 0.735 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@H]1CCC[NH2+]C1)CCC2 ZINC001246741997 945477066 /nfs/dbraw/zinc/47/70/66/945477066.db2.gz JLOAGTYHSFQMQY-AWEZNQCLSA-N 1 3 305.426 0.263 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246889260 945513732 /nfs/dbraw/zinc/51/37/32/945513732.db2.gz WNMGVSWPAYGJSA-CVEARBPZSA-N 1 3 324.469 0.040 20 0 DCADHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CCO ZINC001319245899 945532337 /nfs/dbraw/zinc/53/23/37/945532337.db2.gz PNTUVRYHDVQHIP-WFASDCNBSA-N 1 3 303.422 0.533 20 0 DCADHO COc1nc(C)ccc1-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247831139 945576258 /nfs/dbraw/zinc/57/62/58/945576258.db2.gz QUZVPZGBSTZJKU-LLVKDONJSA-N 1 3 301.350 0.725 20 0 DCADHO CCO[C@@H]1C[C@H]2CN(C(=S)NCC[NH+](C)C)CCN2C1 ZINC001249833614 945647156 /nfs/dbraw/zinc/64/71/56/945647156.db2.gz WTFPGHMUYWRKDX-QWHCGFSZSA-N 1 3 300.472 0.218 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@H]3C2)CCC1 ZINC001410192153 946012487 /nfs/dbraw/zinc/01/24/87/946012487.db2.gz KOQUKZADADMAIG-RRFJBIMHSA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCO)C[C@H]3C2)CCC1 ZINC001410192153 946012491 /nfs/dbraw/zinc/01/24/91/946012491.db2.gz KOQUKZADADMAIG-RRFJBIMHSA-N 1 3 309.454 0.680 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001410259750 946105830 /nfs/dbraw/zinc/10/58/30/946105830.db2.gz OTNICLHMNQRSOB-CQSZACIVSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001410259750 946105836 /nfs/dbraw/zinc/10/58/36/946105836.db2.gz OTNICLHMNQRSOB-CQSZACIVSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001321231759 946228125 /nfs/dbraw/zinc/22/81/25/946228125.db2.gz IKVNBRBJVHDFLG-NYCDYWJRSA-N 1 3 312.458 0.311 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001321281399 946251070 /nfs/dbraw/zinc/25/10/70/946251070.db2.gz QFGJCGOWYVIUBD-GEXIGZQTSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](N[C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410424114 946347199 /nfs/dbraw/zinc/34/71/99/946347199.db2.gz XETJTDPOZAZILR-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO C[N@@H+]1CCC[C@@H](NCCOCCOCCOCCO)CC1 ZINC001254501834 946399665 /nfs/dbraw/zinc/39/96/65/946399665.db2.gz YXOCLPQPMNUUEF-OAHLLOKOSA-N 1 3 304.431 0.102 20 0 DCADHO C[N@H+]1CCC[C@@H](NCCOCCOCCOCCO)CC1 ZINC001254501834 946399675 /nfs/dbraw/zinc/39/96/75/946399675.db2.gz YXOCLPQPMNUUEF-OAHLLOKOSA-N 1 3 304.431 0.102 20 0 DCADHO CS(=O)(=O)N([C@@H]1CCC[NH2+]C1)[C@H]1CC2CCN(CC2)C1 ZINC001254868478 946443410 /nfs/dbraw/zinc/44/34/10/946443410.db2.gz OVWZYTJRUUXIFU-KGLIPLIRSA-N 1 3 301.456 0.484 20 0 DCADHO C[N@@H+]1CC[C@H](n2nc(C(=O)N3CCCC3)c3c2CCNC3)C1 ZINC001255426403 946501046 /nfs/dbraw/zinc/50/10/46/946501046.db2.gz DPTIMDGZPCFLGM-LBPRGKRZSA-N 1 3 303.410 0.641 20 0 DCADHO C[N@H+]1CC[C@H](n2nc(C(=O)N3CCCC3)c3c2CCNC3)C1 ZINC001255426403 946501055 /nfs/dbraw/zinc/50/10/55/946501055.db2.gz DPTIMDGZPCFLGM-LBPRGKRZSA-N 1 3 303.410 0.641 20 0 DCADHO C[N@@H+]1CC[C@@H](n2nc(C(=O)N3CCCC3)c3c2CCNC3)C1 ZINC001255426402 946502140 /nfs/dbraw/zinc/50/21/40/946502140.db2.gz DPTIMDGZPCFLGM-GFCCVEGCSA-N 1 3 303.410 0.641 20 0 DCADHO C[N@H+]1CC[C@@H](n2nc(C(=O)N3CCCC3)c3c2CCNC3)C1 ZINC001255426402 946502148 /nfs/dbraw/zinc/50/21/48/946502148.db2.gz DPTIMDGZPCFLGM-GFCCVEGCSA-N 1 3 303.410 0.641 20 0 DCADHO CCOC(=O)N1CC[C@@H]([NH2+]CCN2CCN(C(C)C)CC2)C1 ZINC001256017674 946572065 /nfs/dbraw/zinc/57/20/65/946572065.db2.gz ULZAVOXKIONYSE-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO [NH3+][C@@H](CO)Cc1cncn1C1CCN(Cc2ccncc2)CC1 ZINC001256581979 946643533 /nfs/dbraw/zinc/64/35/33/946643533.db2.gz FDFDUFQVGUJKFD-OAHLLOKOSA-N 1 3 315.421 0.977 20 0 DCADHO CC(=O)N1C[C@H]2C[C@@]2([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256677111 946653653 /nfs/dbraw/zinc/65/36/53/946653653.db2.gz KVECEDJTZHYTAZ-RDHHWEPZSA-N 1 3 307.438 0.840 20 0 DCADHO c1cc(N2CC([NH2+]C3CCC(N4CCOCC4)CC3)C2)ncn1 ZINC001256687321 946655146 /nfs/dbraw/zinc/65/51/46/946655146.db2.gz RWSMTMQQHAVYBC-UHFFFAOYSA-N 1 3 317.437 0.898 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001410645730 946707515 /nfs/dbraw/zinc/70/75/15/946707515.db2.gz NYTJSISZVNGXSC-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N1CCC(N(C2CC[NH2+]CC2)S(C)(=O)=O)CC1 ZINC001257212856 946708773 /nfs/dbraw/zinc/70/87/73/946708773.db2.gz BAIAWKDSYZXYOB-UHFFFAOYSA-N 1 3 303.472 0.873 20 0 DCADHO Cc1ccc(C[NH2+][C@H](CO)CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001410726500 946846188 /nfs/dbraw/zinc/84/61/88/946846188.db2.gz OHVPEGFHNRRFDV-RDJZCZTQSA-N 1 3 319.449 0.904 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC)[C@@H]1C ZINC001410860757 947044617 /nfs/dbraw/zinc/04/46/17/947044617.db2.gz OARCNCZNFUITHW-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC)[C@@H]1C ZINC001410860757 947044627 /nfs/dbraw/zinc/04/46/27/947044627.db2.gz OARCNCZNFUITHW-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)C[C@H]1C ZINC001410876461 947069785 /nfs/dbraw/zinc/06/97/85/947069785.db2.gz KUTOUMVLFJFHTB-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC(=O)N(C)C)C(C)(C)C2)C1 ZINC001410987758 947197314 /nfs/dbraw/zinc/19/73/14/947197314.db2.gz OJRJUJYEGJXHHM-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001411233041 947519616 /nfs/dbraw/zinc/51/96/16/947519616.db2.gz FQGNYZCQXZDNFG-UHFFFAOYSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001179487105 947851180 /nfs/dbraw/zinc/85/11/80/947851180.db2.gz ZNGRNHDXKODHSE-GVXVVHGQSA-N 1 3 308.430 0.705 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001273704103 948032927 /nfs/dbraw/zinc/03/29/27/948032927.db2.gz NUEPBGVFCMSAMA-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001487782995 948272963 /nfs/dbraw/zinc/27/29/63/948272963.db2.gz FLMAEEMNHJEOBL-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001487782995 948272970 /nfs/dbraw/zinc/27/29/70/948272970.db2.gz FLMAEEMNHJEOBL-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001487786911 948276425 /nfs/dbraw/zinc/27/64/25/948276425.db2.gz TXFYHRLXLAQFIJ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001487786911 948276434 /nfs/dbraw/zinc/27/64/34/948276434.db2.gz TXFYHRLXLAQFIJ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CC[C@H](N(C)CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001265037421 949223696 /nfs/dbraw/zinc/22/36/96/949223696.db2.gz ZFLYTZGWKNRWEF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](N(C)CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001265037421 949223709 /nfs/dbraw/zinc/22/37/09/949223709.db2.gz ZFLYTZGWKNRWEF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001265494085 949727681 /nfs/dbraw/zinc/72/76/81/949727681.db2.gz JDJXOCGOEKECIK-RBSFLKMASA-N 1 3 324.469 0.336 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265949591 950180742 /nfs/dbraw/zinc/18/07/42/950180742.db2.gz UUJOYPVILLVGRC-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001266203292 950469063 /nfs/dbraw/zinc/46/90/63/950469063.db2.gz AXDSIGHIXBNEDL-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001266203292 950469079 /nfs/dbraw/zinc/46/90/79/950469079.db2.gz AXDSIGHIXBNEDL-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC001330859515 950718192 /nfs/dbraw/zinc/71/81/92/950718192.db2.gz GWVHGECYYVCKIN-LBPRGKRZSA-N 1 3 310.398 0.023 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001331119091 950929764 /nfs/dbraw/zinc/92/97/64/950929764.db2.gz LSKRRXVOYQQYDL-ZOBORPQBSA-N 1 3 310.442 0.171 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](NCC(=O)NC(C)(C)C)C1CC1 ZINC001490701918 951057743 /nfs/dbraw/zinc/05/77/43/951057743.db2.gz VWDDMWRGIAOQIE-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC001331470706 951130238 /nfs/dbraw/zinc/13/02/38/951130238.db2.gz RPAXNVXCMDOUBP-QLFBSQMISA-N 1 3 324.469 0.611 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001331519954 951154706 /nfs/dbraw/zinc/15/47/06/951154706.db2.gz ZOMVJWPLFMCPMD-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)CN1CCN(C)CC1 ZINC001365558849 951263315 /nfs/dbraw/zinc/26/33/15/951263315.db2.gz VKFSGJVQXPZOEV-XHSDSOJGSA-N 1 3 323.485 0.215 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)CN1CCN(C)CC1 ZINC001365558849 951263326 /nfs/dbraw/zinc/26/33/26/951263326.db2.gz VKFSGJVQXPZOEV-XHSDSOJGSA-N 1 3 323.485 0.215 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001331930385 951394154 /nfs/dbraw/zinc/39/41/54/951394154.db2.gz WSNPZDBLMFMCHS-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001274125721 951428686 /nfs/dbraw/zinc/42/86/86/951428686.db2.gz UAONIUAMXUSINZ-HLMASZERSA-N 1 3 320.441 0.368 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CCCCC1 ZINC001332206062 951520236 /nfs/dbraw/zinc/52/02/36/951520236.db2.gz GSQLZSJTHPCOOS-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO COCCC[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001281644838 951576570 /nfs/dbraw/zinc/57/65/70/951576570.db2.gz PKGWJYBUVVWTDN-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001365818246 951579004 /nfs/dbraw/zinc/57/90/04/951579004.db2.gz IPXLWXBLCMXAKN-CRWXNKLISA-N 1 3 310.442 0.042 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCOCCO)CC1 ZINC001274363513 951583131 /nfs/dbraw/zinc/58/31/31/951583131.db2.gz OYTTYKQMRCPNBE-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001274481215 951657064 /nfs/dbraw/zinc/65/70/64/951657064.db2.gz FLYLTKLHMCCYRZ-VBROQKIQSA-N 1 3 324.469 0.503 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333939535 952204316 /nfs/dbraw/zinc/20/43/16/952204316.db2.gz DNKIRMWSYGOGLO-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1nnsc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001275914824 952521678 /nfs/dbraw/zinc/52/16/78/952521678.db2.gz FDDNWCJEWTUIML-GFCCVEGCSA-N 1 3 311.455 0.879 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001335933956 952622835 /nfs/dbraw/zinc/62/28/35/952622835.db2.gz OJVYMWUCDIRVAL-QGZVFWFLSA-N 1 3 309.429 0.956 20 0 DCADHO C[C@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@@H](C)CN1 ZINC001336193988 952658945 /nfs/dbraw/zinc/65/89/45/952658945.db2.gz RYRKEDOFIQAMQP-GJZGRUSLSA-N 1 3 311.474 0.454 20 0 DCADHO C[NH+](C)CCc1cccc(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC001412196397 952689188 /nfs/dbraw/zinc/68/91/88/952689188.db2.gz QAHFKELARRIITJ-KRWDZBQOSA-N 1 3 319.449 0.977 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC001336733768 952757736 /nfs/dbraw/zinc/75/77/36/952757736.db2.gz SDZCROQRCFLGDC-INIZCTEOSA-N 1 3 307.438 0.653 20 0 DCADHO C[N@@H+]1C[C@@H](CNCCC(=O)NC(N)=O)[C@H](c2ccccc2)C1 ZINC001336831035 952772993 /nfs/dbraw/zinc/77/29/93/952772993.db2.gz XRTNCEZQYXYOKG-KGLIPLIRSA-N 1 3 304.394 0.506 20 0 DCADHO C[N@H+]1C[C@@H](CNCCC(=O)NC(N)=O)[C@H](c2ccccc2)C1 ZINC001336831035 952772996 /nfs/dbraw/zinc/77/29/96/952772996.db2.gz XRTNCEZQYXYOKG-KGLIPLIRSA-N 1 3 304.394 0.506 20 0 DCADHO CC1(C)CN(C(=O)NCCCCCN2CC[NH2+]CC2)CCN1 ZINC001336940709 952786969 /nfs/dbraw/zinc/78/69/69/952786969.db2.gz CWFTWSYWHTVQDF-UHFFFAOYSA-N 1 3 311.474 0.455 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001412690655 952998304 /nfs/dbraw/zinc/99/83/04/952998304.db2.gz GOMQVLZRDWRXEN-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C[C@@H](C)O1 ZINC001340185758 953153325 /nfs/dbraw/zinc/15/33/25/953153325.db2.gz XBFCZNGLZIKVIQ-FWXGHANASA-N 1 3 309.454 0.975 20 0 DCADHO CC1CCN(CC(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001342678851 953301070 /nfs/dbraw/zinc/30/10/70/953301070.db2.gz IMVWBYRTUVSMDD-UHFFFAOYSA-N 1 3 310.486 0.910 20 0 DCADHO COC(=O)[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1 ZINC001345110056 953594423 /nfs/dbraw/zinc/59/44/23/953594423.db2.gz YAFWGVNSXHIUNV-BYNSBNAKSA-N 1 3 323.437 0.628 20 0 DCADHO CC(C)CNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001366078686 953655957 /nfs/dbraw/zinc/65/59/57/953655957.db2.gz NXEWYITWEVPKEJ-HUUCEWRRSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366078686 953655965 /nfs/dbraw/zinc/65/59/65/953655965.db2.gz NXEWYITWEVPKEJ-HUUCEWRRSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366084072 953662991 /nfs/dbraw/zinc/66/29/91/953662991.db2.gz VIPVSBWTXBSTTP-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001366099500 953682971 /nfs/dbraw/zinc/68/29/71/953682971.db2.gz OQCVTRJSUCAUMW-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001366102529 953687996 /nfs/dbraw/zinc/68/79/96/953687996.db2.gz MXXPMMBBGRJTRB-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366105658 953690119 /nfs/dbraw/zinc/69/01/19/953690119.db2.gz XGZDPMNZMZEYTG-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001366125213 953717048 /nfs/dbraw/zinc/71/70/48/953717048.db2.gz HXXXHOXCTZXEMC-AAVRWANBSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001366164648 953762469 /nfs/dbraw/zinc/76/24/69/953762469.db2.gz YBOJZXFUKUITHJ-MBNYWOFBSA-N 1 3 308.430 0.375 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001366181716 953787434 /nfs/dbraw/zinc/78/74/34/953787434.db2.gz RUANCOJVLARHNP-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001366371025 954111651 /nfs/dbraw/zinc/11/16/51/954111651.db2.gz ZOEUXLKQWZOQPX-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001366392357 954143119 /nfs/dbraw/zinc/14/31/19/954143119.db2.gz OQFNBOSYRYOCLV-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO Cc1nnsc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001366456554 954220245 /nfs/dbraw/zinc/22/02/45/954220245.db2.gz WYVVEZAWIGQCNN-ZYHUDNBSSA-N 1 3 311.455 0.925 20 0 DCADHO Cc1nccnc1CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366508800 954296628 /nfs/dbraw/zinc/29/66/28/954296628.db2.gz MUHPIMQMLAHDHU-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CN[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366508800 954296639 /nfs/dbraw/zinc/29/66/39/954296639.db2.gz MUHPIMQMLAHDHU-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001366513398 954304107 /nfs/dbraw/zinc/30/41/07/954304107.db2.gz RAVFZXRTNNCOPS-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001349111947 954605200 /nfs/dbraw/zinc/60/52/00/954605200.db2.gz SWQHTZCAKSBJBE-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001349111947 954605207 /nfs/dbraw/zinc/60/52/07/954605207.db2.gz SWQHTZCAKSBJBE-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](CCNC(=O)[C@H]1CCCN1C)CCN1CCCC1=O ZINC001366710499 954695781 /nfs/dbraw/zinc/69/57/81/954695781.db2.gz YRJYEQBUDMDDMM-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCN1C)CCN1CCCC1=O ZINC001366710499 954695788 /nfs/dbraw/zinc/69/57/88/954695788.db2.gz YRJYEQBUDMDDMM-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1C ZINC001284029292 954791839 /nfs/dbraw/zinc/79/18/39/954791839.db2.gz DNFMNBUTIMTFIU-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCN[C@@H]1CCN(C2CCC2)C1=O)C(=O)CCC[NH+](C)C ZINC001366770956 954815178 /nfs/dbraw/zinc/81/51/78/954815178.db2.gz BNNUORCEHJVDPP-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCN(C2CCC2)C1=O ZINC001366779098 954835734 /nfs/dbraw/zinc/83/57/34/954835734.db2.gz RBLYRLDLLKZFNM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCN(C2CCC2)C1=O ZINC001366779098 954835744 /nfs/dbraw/zinc/83/57/44/954835744.db2.gz RBLYRLDLLKZFNM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366871746 954970190 /nfs/dbraw/zinc/97/01/90/954970190.db2.gz PAVSOUUONPQTNJ-KBPBESRZSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366871746 954970196 /nfs/dbraw/zinc/97/01/96/954970196.db2.gz PAVSOUUONPQTNJ-KBPBESRZSA-N 1 3 312.458 0.371 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC001366900594 955023493 /nfs/dbraw/zinc/02/34/93/955023493.db2.gz GKILDPSIDHGBFH-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCCC1 ZINC001367130704 955368831 /nfs/dbraw/zinc/36/88/31/955368831.db2.gz XHLSFLJCSDEXDE-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C1CC1 ZINC001367135030 955376444 /nfs/dbraw/zinc/37/64/44/955376444.db2.gz HDHTVYJYWVMIDQ-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)[C@H]1CCCN1C ZINC001351804558 955418424 /nfs/dbraw/zinc/41/84/24/955418424.db2.gz DOOZUZYGZOZKPW-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)[C@H]1CCCN1C ZINC001351804558 955418436 /nfs/dbraw/zinc/41/84/36/955418436.db2.gz DOOZUZYGZOZKPW-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001367226479 955485770 /nfs/dbraw/zinc/48/57/70/955485770.db2.gz LFRWYBCSCRQBRS-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001367298539 955608972 /nfs/dbraw/zinc/60/89/72/955608972.db2.gz ZLYBHCYQUJEPDA-RYUDHWBXSA-N 1 3 310.398 0.477 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001367298539 955608979 /nfs/dbraw/zinc/60/89/79/955608979.db2.gz ZLYBHCYQUJEPDA-RYUDHWBXSA-N 1 3 310.398 0.477 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)N1CCCCC1 ZINC001353234315 955989034 /nfs/dbraw/zinc/98/90/34/955989034.db2.gz IIHXCKFARRWDNX-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC001354234618 956321961 /nfs/dbraw/zinc/32/19/61/956321961.db2.gz IAALBNGDNNNTMP-RHJCGQNESA-N 1 3 320.481 0.515 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001292737704 957131066 /nfs/dbraw/zinc/13/10/66/957131066.db2.gz WLNBEIRUFAOBCF-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001292857222 957175200 /nfs/dbraw/zinc/17/52/00/957175200.db2.gz OXDFFYHOSNUGNR-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001292857222 957175201 /nfs/dbraw/zinc/17/52/01/957175201.db2.gz OXDFFYHOSNUGNR-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)CC2CC([NH3+])C2)CC1 ZINC001357503831 957303024 /nfs/dbraw/zinc/30/30/24/957303024.db2.gz SYILFOHAYKZLIU-UHFFFAOYSA-N 1 3 311.426 0.505 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367382090 957747064 /nfs/dbraw/zinc/74/70/64/957747064.db2.gz NAAIIYOUOLMTET-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367414239 957787771 /nfs/dbraw/zinc/78/77/71/957787771.db2.gz MPCDIXAXOVQTOJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001367470013 957855614 /nfs/dbraw/zinc/85/56/14/957855614.db2.gz CDLOFGRAKNPIKW-STQMWFEESA-N 1 3 312.458 0.336 20 0 DCADHO Cc1cc(C)n(CCN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001367555120 958033065 /nfs/dbraw/zinc/03/30/65/958033065.db2.gz ZGSOBGHVWPRTTO-MRXNPFEDSA-N 1 3 321.469 0.842 20 0 DCADHO Cc1cc(C)n(CCN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001367555120 958033080 /nfs/dbraw/zinc/03/30/80/958033080.db2.gz ZGSOBGHVWPRTTO-MRXNPFEDSA-N 1 3 321.469 0.842 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O)N1CCCCC1 ZINC001367567066 958057697 /nfs/dbraw/zinc/05/76/97/958057697.db2.gz WNOIZLHAGAFJSN-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1sccc1CN(C)C ZINC001367674409 958329683 /nfs/dbraw/zinc/32/96/83/958329683.db2.gz HCDQUVHWUVUGJU-ZJUUUORDSA-N 1 3 312.439 0.391 20 0 DCADHO C[C@H](C[NH2+]CC(N)=O)NC(=O)c1ccc(-n2cccn2)cc1 ZINC001367673766 958331155 /nfs/dbraw/zinc/33/11/55/958331155.db2.gz AABXHAUJSJSXIM-LLVKDONJSA-N 1 3 301.350 0.066 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)c1cnc2[nH]ccc2c1 ZINC001367674447 958331606 /nfs/dbraw/zinc/33/16/06/958331606.db2.gz CICXZLDWCYYPKK-MFKMUULPSA-N 1 3 306.366 0.230 20 0 DCADHO C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001367673581 958331997 /nfs/dbraw/zinc/33/19/97/958331997.db2.gz UFSKHEZLCKTURO-WDEREUQCSA-N 1 3 310.373 0.867 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001367697721 958396734 /nfs/dbraw/zinc/39/67/34/958396734.db2.gz FUKPPJFYXBNRPL-SNPRPXQTSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367712487 958425190 /nfs/dbraw/zinc/42/51/90/958425190.db2.gz MFJGFHRVIUDCSP-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367712487 958425195 /nfs/dbraw/zinc/42/51/95/958425195.db2.gz MFJGFHRVIUDCSP-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367732654 958463092 /nfs/dbraw/zinc/46/30/92/958463092.db2.gz BNYVKFCHZMZQOB-DZGCQCFKSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NCC1CC1 ZINC001367731920 958463928 /nfs/dbraw/zinc/46/39/28/958463928.db2.gz MTXXWAPBJUCBLJ-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NCC1CC1 ZINC001367731920 958463936 /nfs/dbraw/zinc/46/39/36/958463936.db2.gz MTXXWAPBJUCBLJ-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001367775308 958548581 /nfs/dbraw/zinc/54/85/81/958548581.db2.gz QUVISZQNMBIJMS-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N(C)CC)CCC1)N(C)C ZINC001376782331 958824940 /nfs/dbraw/zinc/82/49/40/958824940.db2.gz HWLBYHURLCENQL-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC001491633231 958980307 /nfs/dbraw/zinc/98/03/07/958980307.db2.gz WVCGLAOJKFOWPI-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCN(C(C)C)C1=O ZINC001491633231 958980313 /nfs/dbraw/zinc/98/03/13/958980313.db2.gz WVCGLAOJKFOWPI-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001376900021 959100649 /nfs/dbraw/zinc/10/06/49/959100649.db2.gz AZIXYUURVSNVOP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001376900021 959100655 /nfs/dbraw/zinc/10/06/55/959100655.db2.gz AZIXYUURVSNVOP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001368096882 959230251 /nfs/dbraw/zinc/23/02/51/959230251.db2.gz DWKMECBRYLGJTF-CHWSQXEVSA-N 1 3 308.426 0.069 20 0 DCADHO CCc1nc([C@@H](C)NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001368111683 959260489 /nfs/dbraw/zinc/26/04/89/959260489.db2.gz WPPOTDSNAWAZAU-OLZOCXBDSA-N 1 3 322.457 0.960 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491843863 959296166 /nfs/dbraw/zinc/29/61/66/959296166.db2.gz NSYBIHFVHUZBPX-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001492034217 959570244 /nfs/dbraw/zinc/57/02/44/959570244.db2.gz FCXBLYCUELCQME-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1C ZINC001492128598 959609803 /nfs/dbraw/zinc/60/98/03/959609803.db2.gz YGUDVGQJTHBXLI-TZMCWYRMSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001492128598 959609810 /nfs/dbraw/zinc/60/98/10/959609810.db2.gz YGUDVGQJTHBXLI-TZMCWYRMSA-N 1 3 307.442 0.665 20 0 DCADHO Cn1cc(CNC2(C)CCN(C(=O)CCC[NH+](C)C)CC2)nn1 ZINC001377304437 959890958 /nfs/dbraw/zinc/89/09/58/959890958.db2.gz ZMKQEYKIQNCXEQ-UHFFFAOYSA-N 1 3 322.457 0.628 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001368480840 959924858 /nfs/dbraw/zinc/92/48/58/959924858.db2.gz SYYXJBWGEQMKHF-VNHYZAJKSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001368495181 959941529 /nfs/dbraw/zinc/94/15/29/959941529.db2.gz FTEKNKZOIZELDQ-LJISPDSOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC1CCCC1 ZINC001368661116 960135446 /nfs/dbraw/zinc/13/54/46/960135446.db2.gz USOLKLAOYBZMBN-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001377488446 960179550 /nfs/dbraw/zinc/17/95/50/960179550.db2.gz LNKXVRAJWLWQFR-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)NCc1ccn(C)n1)[NH+](C)C ZINC001368744629 960219727 /nfs/dbraw/zinc/21/97/27/960219727.db2.gz RQUIKEMNDXDJMQ-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO CCCN(C)CC(=O)NC1(CO)CC[NH+](C[C@H](C)OC)CC1 ZINC001368772500 960250440 /nfs/dbraw/zinc/25/04/40/960250440.db2.gz QBOKJYSBEPSTMR-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](F)CN1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001377554847 960273960 /nfs/dbraw/zinc/27/39/60/960273960.db2.gz ZNLHNHMYNQWHAX-ZIAGYGMSSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](F)CN1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001377554847 960273966 /nfs/dbraw/zinc/27/39/66/960273966.db2.gz ZNLHNHMYNQWHAX-ZIAGYGMSSA-N 1 3 315.433 0.772 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC1(CO)CC[NH+](CC)CC1 ZINC001377559868 960282626 /nfs/dbraw/zinc/28/26/26/960282626.db2.gz MUSMFHPLZBVIEP-CYBMUJFWSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001377573936 960302793 /nfs/dbraw/zinc/30/27/93/960302793.db2.gz CVOBCDJEEVBULZ-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001377573936 960302800 /nfs/dbraw/zinc/30/28/00/960302800.db2.gz CVOBCDJEEVBULZ-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001377580775 960314251 /nfs/dbraw/zinc/31/42/51/960314251.db2.gz MNLFSRGYAAZSAU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001377580775 960314261 /nfs/dbraw/zinc/31/42/61/960314261.db2.gz MNLFSRGYAAZSAU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001377714131 960489565 /nfs/dbraw/zinc/48/95/65/960489565.db2.gz JRZLHDMGXBVVII-JXQTWKCFSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N[C@@H](C)C(N)=O ZINC001378309743 960555529 /nfs/dbraw/zinc/55/55/29/960555529.db2.gz FWXXRKTXTZLKPJ-GXTWGEPZSA-N 1 3 312.458 0.465 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCn2cccn2)C1 ZINC001377761406 960590206 /nfs/dbraw/zinc/59/02/06/960590206.db2.gz YXEUSEUMDMKPRD-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCn2cccn2)C1 ZINC001377761406 960590227 /nfs/dbraw/zinc/59/02/27/960590227.db2.gz YXEUSEUMDMKPRD-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377774270 960624541 /nfs/dbraw/zinc/62/45/41/960624541.db2.gz XQPHYZFMLDNARR-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377774270 960624547 /nfs/dbraw/zinc/62/45/47/960624547.db2.gz XQPHYZFMLDNARR-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001430214783 1013254316 /nfs/dbraw/zinc/25/43/16/1013254316.db2.gz AMHJJZGVRAFKCC-UHFFFAOYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378792857 961488314 /nfs/dbraw/zinc/48/83/14/961488314.db2.gz SKJKQOQFPYPWOJ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001378892411 961667503 /nfs/dbraw/zinc/66/75/03/961667503.db2.gz QPCJTSBYCBPHQE-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001430236859 1013278207 /nfs/dbraw/zinc/27/82/07/1013278207.db2.gz LSFGUAXDVZJQCH-SOUVJXGZSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001430236859 1013278210 /nfs/dbraw/zinc/27/82/10/1013278210.db2.gz LSFGUAXDVZJQCH-SOUVJXGZSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001378933068 961728537 /nfs/dbraw/zinc/72/85/37/961728537.db2.gz STGBBEFQIWHZBG-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001363758318 961821362 /nfs/dbraw/zinc/82/13/62/961821362.db2.gz WZOXYBUCTUJOOK-ZIAGYGMSSA-N 1 3 316.405 0.497 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001379009847 961868677 /nfs/dbraw/zinc/86/86/77/961868677.db2.gz GCBZBSBXPARNGS-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](CNCC(=O)NC)C2CC2)CC[N@H+]1C ZINC001379009847 961868710 /nfs/dbraw/zinc/86/87/10/961868710.db2.gz GCBZBSBXPARNGS-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(=O)NC)C1CC1 ZINC001379031300 961923001 /nfs/dbraw/zinc/92/30/01/961923001.db2.gz ZYOFZCYUMJAHOL-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](CNCC(=O)NC)C1CC1 ZINC001379031300 961923013 /nfs/dbraw/zinc/92/30/13/961923013.db2.gz ZYOFZCYUMJAHOL-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001379750784 961937660 /nfs/dbraw/zinc/93/76/60/961937660.db2.gz OVERSONVOQLONP-ZFWWWQNUSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001379750784 961937667 /nfs/dbraw/zinc/93/76/67/961937667.db2.gz OVERSONVOQLONP-ZFWWWQNUSA-N 1 3 322.453 0.662 20 0 DCADHO CO[C@@H](C)CN(C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001379116963 962142366 /nfs/dbraw/zinc/14/23/66/962142366.db2.gz LCDNTUTXXPBEIQ-AWEZNQCLSA-N 1 3 315.458 0.522 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001379155812 962219209 /nfs/dbraw/zinc/21/92/09/962219209.db2.gz OYTNRSMBINXMIQ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001379928417 962315829 /nfs/dbraw/zinc/31/58/29/962315829.db2.gz VZPUUEDQWMKYMB-HNNXBMFYSA-N 1 3 317.437 0.500 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCCN2C)o1 ZINC001379236872 962434630 /nfs/dbraw/zinc/43/46/30/962434630.db2.gz XYMPUEUCAOGQIY-OCCSQVGLSA-N 1 3 310.398 0.034 20 0 DCADHO COC[C@H](O)C[N@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001380000366 962475501 /nfs/dbraw/zinc/47/55/01/962475501.db2.gz SCRARZRWWMMKMJ-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)C[N@@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001380000366 962475520 /nfs/dbraw/zinc/47/55/20/962475520.db2.gz SCRARZRWWMMKMJ-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001364114330 962498828 /nfs/dbraw/zinc/49/88/28/962498828.db2.gz COCGTQIROROUBN-HOTGVXAUSA-N 1 3 305.422 0.720 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001364114330 962498840 /nfs/dbraw/zinc/49/88/40/962498840.db2.gz COCGTQIROROUBN-HOTGVXAUSA-N 1 3 305.422 0.720 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001380024693 962520801 /nfs/dbraw/zinc/52/08/01/962520801.db2.gz YOLNYOWDKVCASM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001380269620 962959329 /nfs/dbraw/zinc/95/93/29/962959329.db2.gz KKEQAODFLOOTJM-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCc2ccc(F)cc21 ZINC001379465770 962982148 /nfs/dbraw/zinc/98/21/48/962982148.db2.gz FJICCNCBGHVCDZ-GOEBONIOSA-N 1 3 323.412 0.831 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)CCC[NH+](C)C)C(=O)NC1CC1 ZINC001380282537 962985174 /nfs/dbraw/zinc/98/51/74/962985174.db2.gz FMQGOYDVADCKDQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001380292646 963001431 /nfs/dbraw/zinc/00/14/31/963001431.db2.gz RCRIVCYRVDSZRJ-YPMHNXCESA-N 1 3 308.430 0.706 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001379509203 963096391 /nfs/dbraw/zinc/09/63/91/963096391.db2.gz QRKWRZYCDWWGSW-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001380416651 963175366 /nfs/dbraw/zinc/17/53/66/963175366.db2.gz BLLKMWGVRFEXRE-XJKSGUPXSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001379590270 963227672 /nfs/dbraw/zinc/22/76/72/963227672.db2.gz ULHAXCFXMQAGCH-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001379597558 963244284 /nfs/dbraw/zinc/24/42/84/963244284.db2.gz KAZRYKCTHRASLR-IUODEOHRSA-N 1 3 307.442 0.759 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001380538782 963323283 /nfs/dbraw/zinc/32/32/83/963323283.db2.gz SOFZTSULMNOYBB-ZBFHGGJFSA-N 1 3 315.433 0.773 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001380538782 963323288 /nfs/dbraw/zinc/32/32/88/963323288.db2.gz SOFZTSULMNOYBB-ZBFHGGJFSA-N 1 3 315.433 0.773 20 0 DCADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC[C@@H](C)F)C1 ZINC001380565039 963365092 /nfs/dbraw/zinc/36/50/92/963365092.db2.gz MLNKYOMMRHPOAO-HIFRSBDPSA-N 1 3 303.422 0.629 20 0 DCADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC[C@@H](C)F)C1 ZINC001380565039 963365100 /nfs/dbraw/zinc/36/51/00/963365100.db2.gz MLNKYOMMRHPOAO-HIFRSBDPSA-N 1 3 303.422 0.629 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001380842029 963624900 /nfs/dbraw/zinc/62/49/00/963624900.db2.gz UBVMITVQXUPAIY-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001380895424 963663763 /nfs/dbraw/zinc/66/37/63/963663763.db2.gz OAAKTUKOHNDWHA-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001380895424 963663768 /nfs/dbraw/zinc/66/37/68/963663768.db2.gz OAAKTUKOHNDWHA-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(=O)N2CCC2)CC1 ZINC001381101753 963814312 /nfs/dbraw/zinc/81/43/12/963814312.db2.gz ABIDHQSVAQPRNE-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(C)C)[C@@H](C)C1 ZINC001381108658 963821088 /nfs/dbraw/zinc/82/10/88/963821088.db2.gz COEFXDPPTJAUCD-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(C)C)[C@@H](C)C1 ZINC001381108658 963821092 /nfs/dbraw/zinc/82/10/92/963821092.db2.gz COEFXDPPTJAUCD-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cncn1)N(C)C ZINC001381301318 963956918 /nfs/dbraw/zinc/95/69/18/963956918.db2.gz PCJDULNHLLTXON-HUUCEWRRSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cncn1)N(C)C ZINC001381301318 963956922 /nfs/dbraw/zinc/95/69/22/963956922.db2.gz PCJDULNHLLTXON-HUUCEWRRSA-N 1 3 322.457 0.541 20 0 DCADHO CN(CCn1cncn1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381312710 963962817 /nfs/dbraw/zinc/96/28/17/963962817.db2.gz BDOZLXLEACPMSL-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381312710 963962825 /nfs/dbraw/zinc/96/28/25/963962825.db2.gz BDOZLXLEACPMSL-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO COc1cncc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)n1 ZINC001381333646 963978057 /nfs/dbraw/zinc/97/80/57/963978057.db2.gz XNCLTLVGYRAHGA-UHFFFAOYSA-N 1 3 321.425 0.421 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]C[C@@H]2CCOC2)C2CC2)CCC1 ZINC001375229604 964155063 /nfs/dbraw/zinc/15/50/63/964155063.db2.gz OIEPVDDTLMMCBB-DZGCQCFKSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@H](C)C(N)=O ZINC001369036165 964330276 /nfs/dbraw/zinc/33/02/76/964330276.db2.gz FKFMOJWURCYHDE-YPMHNXCESA-N 1 3 309.414 0.289 20 0 DCADHO CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1CCCC1 ZINC001369129468 964438212 /nfs/dbraw/zinc/43/82/12/964438212.db2.gz CJOOHLVZLGZLRF-QKDCVEJESA-N 1 3 309.454 0.537 20 0 DCADHO CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N1CCCC1 ZINC001369129468 964438222 /nfs/dbraw/zinc/43/82/22/964438222.db2.gz CJOOHLVZLGZLRF-QKDCVEJESA-N 1 3 309.454 0.537 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001369177891 964492050 /nfs/dbraw/zinc/49/20/50/964492050.db2.gz SYPHPNBTDBNCEF-IIAWOOMASA-N 1 3 321.469 0.991 20 0 DCADHO CCN(C)C(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001369185558 964501807 /nfs/dbraw/zinc/50/18/07/964501807.db2.gz PHSMFGQFBFUIFU-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001369185558 964501813 /nfs/dbraw/zinc/50/18/13/964501813.db2.gz PHSMFGQFBFUIFU-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001375579388 964570532 /nfs/dbraw/zinc/57/05/32/964570532.db2.gz WTYHUHRGPGMXCH-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCN1CCCC1=O ZINC001369281226 964648906 /nfs/dbraw/zinc/64/89/06/964648906.db2.gz VENXJGMFGQDHTO-GFCCVEGCSA-N 1 3 307.398 0.011 20 0 DCADHO CC(C)N1CC[C@H](NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001375763102 964808396 /nfs/dbraw/zinc/80/83/96/964808396.db2.gz LQVHHDGXZCDJRX-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001373950215 964810696 /nfs/dbraw/zinc/81/06/96/964810696.db2.gz PFVIBXVEZCWBRP-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001373950215 964810704 /nfs/dbraw/zinc/81/07/04/964810704.db2.gz PFVIBXVEZCWBRP-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001375769848 964820243 /nfs/dbraw/zinc/82/02/43/964820243.db2.gz ZSBZQZKWLFCXIA-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1cccc(C[NH2+][C@@H](CO)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001369362724 964827783 /nfs/dbraw/zinc/82/77/83/964827783.db2.gz LOHHMTNWBASVID-DOTOQJQBSA-N 1 3 319.449 0.904 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001373964837 964828989 /nfs/dbraw/zinc/82/89/89/964828989.db2.gz GLJUNFKCDACWBS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C)N(C)C ZINC001369386194 964872783 /nfs/dbraw/zinc/87/27/83/964872783.db2.gz WUVLQVPCGCOZTD-HZPDHXFCSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@H]1C[C@@H](NCc2cncn2C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369394922 964891610 /nfs/dbraw/zinc/89/16/10/964891610.db2.gz BRLWUZUFALZTDN-UONOGXRCSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](NCc2cncn2C)CN1C(=O)CCC[NH+](C)C ZINC001369405674 964910313 /nfs/dbraw/zinc/91/03/13/964910313.db2.gz PMIULQDJDWXIMF-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C[C@H]1C ZINC001369406085 964912447 /nfs/dbraw/zinc/91/24/47/964912447.db2.gz RCFBZAFFJJEAOB-HUUCEWRRSA-N 1 3 321.469 0.883 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001374055416 964957006 /nfs/dbraw/zinc/95/70/06/964957006.db2.gz HEZMBYGWSLZUDX-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C(C)(C)C1 ZINC001369437575 964972366 /nfs/dbraw/zinc/97/23/66/964972366.db2.gz JISXEKQPYREXRQ-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](F)CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515609 965123180 /nfs/dbraw/zinc/12/31/80/965123180.db2.gz YKZCLBWDCYQYTC-KBPBESRZSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@H](F)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515609 965123183 /nfs/dbraw/zinc/12/31/83/965123183.db2.gz YKZCLBWDCYQYTC-KBPBESRZSA-N 1 3 317.449 0.970 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001369554242 965166569 /nfs/dbraw/zinc/16/65/69/965166569.db2.gz YSEAMLVJNPHTFG-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001374275873 965211230 /nfs/dbraw/zinc/21/12/30/965211230.db2.gz KPDAEWMCIUFDFM-NEPJUHHUSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@@H](CNCc1n[nH]c(C(C)(C)C)n1)N(C)C(=O)CC[NH+](C)C ZINC001374276424 965214514 /nfs/dbraw/zinc/21/45/14/965214514.db2.gz LXVGICSOYZPYEX-LBPRGKRZSA-N 1 3 324.473 0.990 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374312431 965266364 /nfs/dbraw/zinc/26/63/64/965266364.db2.gz LOJVKITVNGGMHZ-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374312431 965266377 /nfs/dbraw/zinc/26/63/77/965266377.db2.gz LOJVKITVNGGMHZ-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001374315218 965269893 /nfs/dbraw/zinc/26/98/93/965269893.db2.gz VFXLJHWBBQPLPX-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CCCNC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001447811774 1013559580 /nfs/dbraw/zinc/55/95/80/1013559580.db2.gz OLUQFFLIRLUDQN-NFOMZHRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H](C)C(N)=O ZINC001374387076 965331112 /nfs/dbraw/zinc/33/11/12/965331112.db2.gz NQEQMQOOZOZKKN-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001369750311 965353446 /nfs/dbraw/zinc/35/34/46/965353446.db2.gz CTTRAIHDDSTBLH-OAHLLOKOSA-N 1 3 317.449 0.972 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001376217663 965398256 /nfs/dbraw/zinc/39/82/56/965398256.db2.gz BNWZJVRGEJGVAI-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001376217663 965398270 /nfs/dbraw/zinc/39/82/70/965398270.db2.gz BNWZJVRGEJGVAI-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCCCN1C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376400762 965614775 /nfs/dbraw/zinc/61/47/75/965614775.db2.gz SHANRLWUJRNGRZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)CC[NH+](C)C)C2 ZINC001376430836 965643571 /nfs/dbraw/zinc/64/35/71/965643571.db2.gz HBQGHCNFRAUAGC-AGUYFDCRSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(NC[C@@H](O)CNCc1ccns1)C12CCC[NH+]1CCC2 ZINC001374622705 965654431 /nfs/dbraw/zinc/65/44/31/965654431.db2.gz HIHKDXWOVMGPDF-LBPRGKRZSA-N 1 3 324.450 0.338 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCc2cncs2)CC1 ZINC001374642491 965691062 /nfs/dbraw/zinc/69/10/62/965691062.db2.gz NVJJSMSRGHRIKD-GFCCVEGCSA-N 1 3 312.439 0.052 20 0 DCADHO C[C@@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001374690664 965763861 /nfs/dbraw/zinc/76/38/61/965763861.db2.gz CDZCHJJIMUBXPN-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001374690667 965764089 /nfs/dbraw/zinc/76/40/89/965764089.db2.gz CDZCHJJIMUBXPN-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001370092910 965764634 /nfs/dbraw/zinc/76/46/34/965764634.db2.gz LQSYPDBOSBUNIN-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001374702689 965783716 /nfs/dbraw/zinc/78/37/16/965783716.db2.gz KMBJPTSBYKGHQV-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374709911 965793877 /nfs/dbraw/zinc/79/38/77/965793877.db2.gz AGUBWWKAPZJULZ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374709911 965793888 /nfs/dbraw/zinc/79/38/88/965793888.db2.gz AGUBWWKAPZJULZ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001374722607 965814716 /nfs/dbraw/zinc/81/47/16/965814716.db2.gz QJQFENSUYRAXSM-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001374722779 965816746 /nfs/dbraw/zinc/81/67/46/965816746.db2.gz KFVFNUYTJPYDBR-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374754596 965866749 /nfs/dbraw/zinc/86/67/49/965866749.db2.gz OUBWLCVDFCMYEB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374754596 965866764 /nfs/dbraw/zinc/86/67/64/965866764.db2.gz OUBWLCVDFCMYEB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447877388 1013617103 /nfs/dbraw/zinc/61/71/03/1013617103.db2.gz LZNRZNBEPLGBEG-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001374856780 966038487 /nfs/dbraw/zinc/03/84/87/966038487.db2.gz NVRJKPCFYKOCRQ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001374856780 966038495 /nfs/dbraw/zinc/03/84/95/966038495.db2.gz NVRJKPCFYKOCRQ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1)[NH+](C)C ZINC001370405825 966087674 /nfs/dbraw/zinc/08/76/74/966087674.db2.gz RSSMFNRHHNKDGG-GOEBONIOSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001374905172 966120970 /nfs/dbraw/zinc/12/09/70/966120970.db2.gz KJHZJQFEZMLSAT-RWMBFGLXSA-N 1 3 314.474 0.724 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1=O)N(C)C ZINC001374904432 966121318 /nfs/dbraw/zinc/12/13/18/966121318.db2.gz GHAHDRLONJMLRF-BFHYXJOUSA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@@H](F)CNC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001374953858 966173043 /nfs/dbraw/zinc/17/30/43/966173043.db2.gz PMEINPDCBMPKOJ-QWHCGFSZSA-N 1 3 303.422 0.940 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001370487791 966177204 /nfs/dbraw/zinc/17/72/04/966177204.db2.gz YOUNALHKMZNQSY-SHTZXODSSA-N 1 3 319.453 0.950 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001374962861 966180031 /nfs/dbraw/zinc/18/00/31/966180031.db2.gz XXHKDJXAYMNGBR-UONOGXRCSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](NCc1cncn1C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001447898107 1013632046 /nfs/dbraw/zinc/63/20/46/1013632046.db2.gz JSRYQBDIRBGBQU-CHWSQXEVSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001381409242 966392470 /nfs/dbraw/zinc/39/24/70/966392470.db2.gz HTVRTGHZUGCCPS-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1ccnn1C ZINC001381453107 966429781 /nfs/dbraw/zinc/42/97/81/966429781.db2.gz NJNOZDZBAPPYIS-NEPJUHHUSA-N 1 3 318.425 0.720 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1ccnn1C ZINC001381453110 966430425 /nfs/dbraw/zinc/43/04/25/966430425.db2.gz NJNOZDZBAPPYIS-NWDGAFQWSA-N 1 3 318.425 0.720 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001381475786 966446479 /nfs/dbraw/zinc/44/64/79/966446479.db2.gz RXGDKQBECOCPAA-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001447927425 1013654369 /nfs/dbraw/zinc/65/43/69/1013654369.db2.gz SCYGDXKTXCKWQC-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001381924224 966783837 /nfs/dbraw/zinc/78/38/37/966783837.db2.gz GNCATNBGWOVQFG-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001381924224 966783839 /nfs/dbraw/zinc/78/38/39/966783839.db2.gz GNCATNBGWOVQFG-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC001371179605 966786666 /nfs/dbraw/zinc/78/66/66/966786666.db2.gz PMPLCFYJDBMEGA-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001371179605 966786668 /nfs/dbraw/zinc/78/66/68/966786668.db2.gz PMPLCFYJDBMEGA-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CC)CC(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001371213188 966819550 /nfs/dbraw/zinc/81/95/50/966819550.db2.gz SBOVRANSVUASKD-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001382030004 966876043 /nfs/dbraw/zinc/87/60/43/966876043.db2.gz IGGMIDWZPGZTHI-LSDHHAIUSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001382030004 966876049 /nfs/dbraw/zinc/87/60/49/966876049.db2.gz IGGMIDWZPGZTHI-LSDHHAIUSA-N 1 3 324.469 0.419 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001371338621 966914534 /nfs/dbraw/zinc/91/45/34/966914534.db2.gz DCQMOVGTQIXVEW-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001382109671 966945699 /nfs/dbraw/zinc/94/56/99/966945699.db2.gz ANOJMICWHXMSFV-LBPRGKRZSA-N 1 3 300.447 0.289 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC1CC1 ZINC001371510308 967060781 /nfs/dbraw/zinc/06/07/81/967060781.db2.gz NFYCDMUGWYZQNV-OCCSQVGLSA-N 1 3 322.453 0.328 20 0 DCADHO O=C(NC[C@@H](CO)NCCC(F)(F)F)[C@@H]1C[NH+]2CCC1CC2 ZINC001382220561 967087132 /nfs/dbraw/zinc/08/71/32/967087132.db2.gz PXWISWZILBILLB-NWDGAFQWSA-N 1 3 323.359 0.347 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001371626268 967183365 /nfs/dbraw/zinc/18/33/65/967183365.db2.gz CUFMCLUESVGVNQ-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001371633238 967186870 /nfs/dbraw/zinc/18/68/70/967186870.db2.gz IQGCDICUNFRIGV-KGLIPLIRSA-N 1 3 312.458 0.338 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)n[nH]1 ZINC001382368784 967275660 /nfs/dbraw/zinc/27/56/60/967275660.db2.gz MDLPOTKNKOKHES-LBPRGKRZSA-N 1 3 308.430 0.391 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001382379128 967292841 /nfs/dbraw/zinc/29/28/41/967292841.db2.gz DUGGMXQGDVAMFY-OLZOCXBDSA-N 1 3 312.458 0.288 20 0 DCADHO CN(C[C@H](O)CNCc1ccccc1F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382440682 967378045 /nfs/dbraw/zinc/37/80/45/967378045.db2.gz JBJMSSNWLSVYQZ-LSDHHAIUSA-N 1 3 323.412 0.686 20 0 DCADHO CN(C[C@H](O)CNCc1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382440682 967378053 /nfs/dbraw/zinc/37/80/53/967378053.db2.gz JBJMSSNWLSVYQZ-LSDHHAIUSA-N 1 3 323.412 0.686 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001382538324 967477839 /nfs/dbraw/zinc/47/78/39/967477839.db2.gz WNYHGCSIWBMUCK-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001382538324 967477844 /nfs/dbraw/zinc/47/78/44/967477844.db2.gz WNYHGCSIWBMUCK-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)CCc1cnn(C)c1)[NH+](C)C ZINC001372112852 967656341 /nfs/dbraw/zinc/65/63/41/967656341.db2.gz KRPMSPCCOQNFDG-OAHLLOKOSA-N 1 3 309.458 0.597 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001430863065 1013769893 /nfs/dbraw/zinc/76/98/93/1013769893.db2.gz RKQNBJXPRUWNPG-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430863065 1013769901 /nfs/dbraw/zinc/76/99/01/1013769901.db2.gz RKQNBJXPRUWNPG-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1=O ZINC001372994010 968607900 /nfs/dbraw/zinc/60/79/00/968607900.db2.gz SWEBIKJJYJYCHV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1=O ZINC001372994010 968607906 /nfs/dbraw/zinc/60/79/06/968607906.db2.gz SWEBIKJJYJYCHV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373216257 968819212 /nfs/dbraw/zinc/81/92/12/968819212.db2.gz FRXBJNSQALYZBR-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001373273639 968882059 /nfs/dbraw/zinc/88/20/59/968882059.db2.gz GUGPZWDAUFRTMQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001373273639 968882065 /nfs/dbraw/zinc/88/20/65/968882065.db2.gz GUGPZWDAUFRTMQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@H]1CCN(C)C1=O ZINC001373296065 968912304 /nfs/dbraw/zinc/91/23/04/968912304.db2.gz YIZRODUWKZVQAD-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)Cc1c[nH]cn1 ZINC001373575698 969249369 /nfs/dbraw/zinc/24/93/69/969249369.db2.gz ZAWBUNCZJNEHDD-UHFFFAOYSA-N 1 3 319.409 0.155 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001448511226 1013937466 /nfs/dbraw/zinc/93/74/66/1013937466.db2.gz ADZUNMMOYNTIFA-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001448510823 1013937529 /nfs/dbraw/zinc/93/75/29/1013937529.db2.gz OGXHEFJQTSCFES-CTYIDZIISA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001431313033 1013990969 /nfs/dbraw/zinc/99/09/69/1013990969.db2.gz QNPJJRZPATZFBJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001431313033 1013990970 /nfs/dbraw/zinc/99/09/70/1013990970.db2.gz QNPJJRZPATZFBJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H](C)C(=O)N(C)C ZINC001448733434 1014016414 /nfs/dbraw/zinc/01/64/14/1014016414.db2.gz KIHQBEYMFXODPT-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001431375203 1014020935 /nfs/dbraw/zinc/02/09/35/1014020935.db2.gz AKCLGUGZOKRERP-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001431375203 1014020939 /nfs/dbraw/zinc/02/09/39/1014020939.db2.gz AKCLGUGZOKRERP-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001448886937 1014084188 /nfs/dbraw/zinc/08/41/88/1014084188.db2.gz JOAMCFMVJZKWGB-IUODEOHRSA-N 1 3 311.401 0.905 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001448906272 1014091984 /nfs/dbraw/zinc/09/19/84/1014091984.db2.gz MAOFNAQXPGCCLV-CABCVRRESA-N 1 3 311.470 0.974 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)[C@H]1C ZINC001448984631 1014118194 /nfs/dbraw/zinc/11/81/94/1014118194.db2.gz UEIVCXQUXVSIDJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)[C@H]1C ZINC001448984631 1014118196 /nfs/dbraw/zinc/11/81/96/1014118196.db2.gz UEIVCXQUXVSIDJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449029647 1014143705 /nfs/dbraw/zinc/14/37/05/1014143705.db2.gz XMMHKVOSRNAUKT-UONOGXRCSA-N 1 3 312.458 0.430 20 0 DCADHO N[C@@H](CC(F)F)C(=O)N1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001549132718 1014146129 /nfs/dbraw/zinc/14/61/29/1014146129.db2.gz PXNZDVPQTLVTNY-RHYQMDGZSA-N 1 3 305.369 0.856 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001522641375 1014267212 /nfs/dbraw/zinc/26/72/12/1014267212.db2.gz SXXTWRLDGXKXRQ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001522641375 1014267216 /nfs/dbraw/zinc/26/72/16/1014267216.db2.gz SXXTWRLDGXKXRQ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC001522675487 1014292614 /nfs/dbraw/zinc/29/26/14/1014292614.db2.gz WTIICFLYYOILKT-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC001522675487 1014292623 /nfs/dbraw/zinc/29/26/23/1014292623.db2.gz WTIICFLYYOILKT-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549674132 1014404490 /nfs/dbraw/zinc/40/44/90/1014404490.db2.gz RKNCAFXVELZTHR-XGUBFFRZSA-N 1 3 320.441 0.464 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549674132 1014404495 /nfs/dbraw/zinc/40/44/95/1014404495.db2.gz RKNCAFXVELZTHR-XGUBFFRZSA-N 1 3 320.441 0.464 20 0 DCADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC001449353335 1014432858 /nfs/dbraw/zinc/43/28/58/1014432858.db2.gz RMDRZRCVBNCGJO-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001449392672 1014454881 /nfs/dbraw/zinc/45/48/81/1014454881.db2.gz HQXFJJJSGJFHJR-PNESKVBLSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001522974000 1014499987 /nfs/dbraw/zinc/49/99/87/1014499987.db2.gz XMSCPMHZXFYSLQ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001522974000 1014499994 /nfs/dbraw/zinc/49/99/94/1014499994.db2.gz XMSCPMHZXFYSLQ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2OCC[C@@H]2[NH3+])CC1 ZINC001550085500 1014557028 /nfs/dbraw/zinc/55/70/28/1014557028.db2.gz QETFXOIXFVKZRC-KBPBESRZSA-N 1 3 311.426 0.206 20 0 DCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001550122510 1014587686 /nfs/dbraw/zinc/58/76/86/1014587686.db2.gz HXSOXIJMQJEYTJ-KGLIPLIRSA-N 1 3 318.425 0.511 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001550194961 1014620031 /nfs/dbraw/zinc/62/00/31/1014620031.db2.gz SVFZANFQLJOHHN-HRCADAONSA-N 1 3 324.469 0.758 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001550194961 1014620068 /nfs/dbraw/zinc/62/00/68/1014620068.db2.gz SVFZANFQLJOHHN-HRCADAONSA-N 1 3 324.469 0.758 20 0 DCADHO CN(C)C1(C(=O)N(CCNC(=O)CC[NH+](C)C)C2CC2)CCC1 ZINC001529857729 1014628578 /nfs/dbraw/zinc/62/85/78/1014628578.db2.gz ZGEVVXHEHWMHKN-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+][C@H]1COCCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC001550289966 1014652711 /nfs/dbraw/zinc/65/27/11/1014652711.db2.gz PSLVIAQKNGZKPV-HUUCEWRRSA-N 1 3 304.394 0.070 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1F ZINC001550290267 1014655904 /nfs/dbraw/zinc/65/59/04/1014655904.db2.gz YFUACLPFLXUVER-QLFBSQMISA-N 1 3 306.385 0.782 20 0 DCADHO Cn1cc(N2CCC[C@H](N3C[C@H]4CC[N@H+](C)C[C@@H]4C3)C2=O)cn1 ZINC001550540463 1014754721 /nfs/dbraw/zinc/75/47/21/1014754721.db2.gz FASZWCTZSLRIRY-FMKPAKJESA-N 1 3 317.437 0.799 20 0 DCADHO Cn1cc(N2CCC[C@H](N3C[C@H]4CC[N@@H+](C)C[C@@H]4C3)C2=O)cn1 ZINC001550540463 1014754727 /nfs/dbraw/zinc/75/47/27/1014754727.db2.gz FASZWCTZSLRIRY-FMKPAKJESA-N 1 3 317.437 0.799 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449925868 1014791112 /nfs/dbraw/zinc/79/11/12/1014791112.db2.gz QLHMYPCHPMAINH-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449925868 1014791123 /nfs/dbraw/zinc/79/11/23/1014791123.db2.gz QLHMYPCHPMAINH-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO [NH3+][C@@H]1CCOC[C@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550753000 1014836323 /nfs/dbraw/zinc/83/63/23/1014836323.db2.gz ADFMPJXFJMMSTC-RRFJBIMHSA-N 1 3 304.394 0.116 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550750664 1014836439 /nfs/dbraw/zinc/83/64/39/1014836439.db2.gz SWLHXAZKWZFRKI-UONOGXRCSA-N 1 3 321.429 0.096 20 0 DCADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC[C@H]1Cc3ccccc3CN1)C2 ZINC001550757444 1014847916 /nfs/dbraw/zinc/84/79/16/1014847916.db2.gz PEMYCGINUSLWEH-INMHGKMJSA-N 1 3 300.406 0.834 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550761794 1014849287 /nfs/dbraw/zinc/84/92/87/1014849287.db2.gz GJBOUZVCQAGMDQ-DAXOMENPSA-N 1 3 302.422 0.856 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550763302 1014853182 /nfs/dbraw/zinc/85/31/82/1014853182.db2.gz LDETWQSJCWBGQD-GJZGRUSLSA-N 1 3 302.422 0.998 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC001551099892 1014970249 /nfs/dbraw/zinc/97/02/49/1014970249.db2.gz FRHKGESGPHXWOY-KLHDSHLOSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC001551099892 1014970258 /nfs/dbraw/zinc/97/02/58/1014970258.db2.gz FRHKGESGPHXWOY-KLHDSHLOSA-N 1 3 309.454 0.774 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383055967 984646074 /nfs/dbraw/zinc/64/60/74/984646074.db2.gz RXBGGVQGCLHRCY-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383055967 984646077 /nfs/dbraw/zinc/64/60/77/984646077.db2.gz RXBGGVQGCLHRCY-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001383055963 984646498 /nfs/dbraw/zinc/64/64/98/984646498.db2.gz RXBGGVQGCLHRCY-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383055963 984646503 /nfs/dbraw/zinc/64/65/03/984646503.db2.gz RXBGGVQGCLHRCY-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001384420814 985565056 /nfs/dbraw/zinc/56/50/56/985565056.db2.gz CGTADMZYGKVGMA-UONOGXRCSA-N 1 3 310.442 0.092 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](CC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001531343756 1015146566 /nfs/dbraw/zinc/14/65/66/1015146566.db2.gz CPLPTWGFGMMCHY-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](CC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001531343756 1015146569 /nfs/dbraw/zinc/14/65/69/1015146569.db2.gz CPLPTWGFGMMCHY-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)C1 ZINC001551587509 1015149825 /nfs/dbraw/zinc/14/98/25/1015149825.db2.gz WMFGCTTTXRLWAP-IOSBVQAASA-N 1 3 310.442 0.666 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001385236604 986175145 /nfs/dbraw/zinc/17/51/45/986175145.db2.gz CLHRMBDTPMJQOR-CBBWQLFWSA-N 1 3 322.453 0.280 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001386293654 987048170 /nfs/dbraw/zinc/04/81/70/987048170.db2.gz QXVQCOSQJVKGJI-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001386418435 987137299 /nfs/dbraw/zinc/13/72/99/987137299.db2.gz NRWKMFOMAUWRRT-NSHDSACASA-N 1 3 321.425 0.223 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552157415 1015295098 /nfs/dbraw/zinc/29/50/98/1015295098.db2.gz OWANSSKOLDHGBJ-CVEARBPZSA-N 1 3 308.470 0.376 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)C1(N(C)C)CCC1 ZINC001387212149 987709157 /nfs/dbraw/zinc/70/91/57/987709157.db2.gz VLMJSGNXHOHEKM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)C1(N(C)C)CCC1 ZINC001387212149 987709160 /nfs/dbraw/zinc/70/91/60/987709160.db2.gz VLMJSGNXHOHEKM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)Cc1c[nH]cn1 ZINC001388355193 988226322 /nfs/dbraw/zinc/22/63/22/988226322.db2.gz ZSZKHTDJWIWRJH-UHFFFAOYSA-N 1 3 319.409 0.013 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001388727765 988544808 /nfs/dbraw/zinc/54/48/08/988544808.db2.gz QTBIDQTYNCPWNV-ZQDZILKHSA-N 1 3 322.453 0.043 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCCN3C)C[C@@H]2[NH3+])cn1 ZINC001552352836 1015402747 /nfs/dbraw/zinc/40/27/47/1015402747.db2.gz WORFFFAJKPPGNH-ILXRZTDVSA-N 1 3 320.441 0.341 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001389205421 988980951 /nfs/dbraw/zinc/98/09/51/988980951.db2.gz YUTOHAJTPUNVAX-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001389391718 989192117 /nfs/dbraw/zinc/19/21/17/989192117.db2.gz ADALPADMMUUBKZ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cnn(C)c2)C2CC2)CC[N@@H+]1C ZINC001389620126 989436850 /nfs/dbraw/zinc/43/68/50/989436850.db2.gz ZNSOHSVBTJJCMY-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2cnn(C)c2)C2CC2)CC[N@H+]1C ZINC001389620126 989436855 /nfs/dbraw/zinc/43/68/55/989436855.db2.gz ZNSOHSVBTJJCMY-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001450964375 1015489433 /nfs/dbraw/zinc/48/94/33/1015489433.db2.gz DDUJWEVWGUICOB-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001450964375 1015489436 /nfs/dbraw/zinc/48/94/36/1015489436.db2.gz DDUJWEVWGUICOB-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001389826541 989615409 /nfs/dbraw/zinc/61/54/09/989615409.db2.gz WDUAUAVATHRACC-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001389908944 989676452 /nfs/dbraw/zinc/67/64/52/989676452.db2.gz IJBDXTHNKCMXKB-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001390002925 989741042 /nfs/dbraw/zinc/74/10/42/989741042.db2.gz USNVKTVPFZYEJP-MQYQWHSLSA-N 1 3 312.458 0.478 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001390101589 989820682 /nfs/dbraw/zinc/82/06/82/989820682.db2.gz COVWAKMEKRXYGE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001390261248 989943166 /nfs/dbraw/zinc/94/31/66/989943166.db2.gz CKROYMBHVOEZJB-UHFFFAOYSA-N 1 3 322.457 0.674 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001390431765 990100539 /nfs/dbraw/zinc/10/05/39/990100539.db2.gz CWAZOQFIEOIPAF-CYBMUJFWSA-N 1 3 319.453 0.951 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cc1nc[nH]c1C ZINC001390464062 990125403 /nfs/dbraw/zinc/12/54/03/990125403.db2.gz BYSMBQJNYOTQDR-CHWSQXEVSA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cc1nc[nH]c1C ZINC001390464062 990125404 /nfs/dbraw/zinc/12/54/04/990125404.db2.gz BYSMBQJNYOTQDR-CHWSQXEVSA-N 1 3 321.425 0.223 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N[C@@H]1CCNC1=O ZINC001390491877 990146857 /nfs/dbraw/zinc/14/68/57/990146857.db2.gz JEXHEMRWNUALBC-IUODEOHRSA-N 1 3 318.421 0.345 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001390530798 990177922 /nfs/dbraw/zinc/17/79/22/990177922.db2.gz DEDIJUVHOLRHRZ-GFCCVEGCSA-N 1 3 308.430 0.583 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C1)N(C)C ZINC001390550661 990193787 /nfs/dbraw/zinc/19/37/87/990193787.db2.gz HAWAWOHOOMSTOV-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001390601927 990234733 /nfs/dbraw/zinc/23/47/33/990234733.db2.gz ZYMRPTVXOINDJT-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO CCn1cc(CC[N@H+](C)CCNC(=O)[C@@H]2CCCN2C)cn1 ZINC001390742619 990343320 /nfs/dbraw/zinc/34/33/20/990343320.db2.gz PPGXVKVPIVWJTJ-HNNXBMFYSA-N 1 3 307.442 0.588 20 0 DCADHO CCn1cc(CC[N@@H+](C)CCNC(=O)[C@@H]2CCCN2C)cn1 ZINC001390742619 990343325 /nfs/dbraw/zinc/34/33/25/990343325.db2.gz PPGXVKVPIVWJTJ-HNNXBMFYSA-N 1 3 307.442 0.588 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001391339883 990760402 /nfs/dbraw/zinc/76/04/02/990760402.db2.gz VIYHIMDBEGTAOK-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001391339883 990760407 /nfs/dbraw/zinc/76/04/07/990760407.db2.gz VIYHIMDBEGTAOK-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001391770106 991169831 /nfs/dbraw/zinc/16/98/31/991169831.db2.gz VKZCETPEEACYBE-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NCC1CCC1 ZINC001391866392 991237997 /nfs/dbraw/zinc/23/79/97/991237997.db2.gz SNFAWACABUIIOM-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001391922933 991294521 /nfs/dbraw/zinc/29/45/21/991294521.db2.gz PYHXPRVQYJZPKM-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001391935614 991303735 /nfs/dbraw/zinc/30/37/35/991303735.db2.gz MTADCDVHIDHMFI-KGLIPLIRSA-N 1 3 319.453 0.969 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001392024627 991405310 /nfs/dbraw/zinc/40/53/10/991405310.db2.gz OXIPMFHQSQLZFR-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001392024627 991405315 /nfs/dbraw/zinc/40/53/15/991405315.db2.gz OXIPMFHQSQLZFR-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001392027521 991407542 /nfs/dbraw/zinc/40/75/42/991407542.db2.gz RNFFFXKJNIYEHW-AWEZNQCLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001392450841 991943968 /nfs/dbraw/zinc/94/39/68/991943968.db2.gz YDYNIJNRAHXCGI-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CCCCN1C ZINC001392456121 991952702 /nfs/dbraw/zinc/95/27/02/991952702.db2.gz MHIFBMSYLVIDJZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CN1CCC(C)CC1 ZINC001392459301 991954963 /nfs/dbraw/zinc/95/49/63/991954963.db2.gz IHEJXYIQMTYHEL-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392478669 991981388 /nfs/dbraw/zinc/98/13/88/991981388.db2.gz ZGNYZGQOIHVYJC-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392478669 991981399 /nfs/dbraw/zinc/98/13/99/991981399.db2.gz ZGNYZGQOIHVYJC-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001392509546 992025054 /nfs/dbraw/zinc/02/50/54/992025054.db2.gz HUWIAMONVXCKCQ-OCCSQVGLSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001392524746 992046632 /nfs/dbraw/zinc/04/66/32/992046632.db2.gz MDEVDHABSPBDMW-DOMZBBRYSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001392524731 992047214 /nfs/dbraw/zinc/04/72/14/992047214.db2.gz LUBJVRJKNPQLJE-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001392564951 992101889 /nfs/dbraw/zinc/10/18/89/992101889.db2.gz VBKDSECRMWULSK-KBPBESRZSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001392564951 992101895 /nfs/dbraw/zinc/10/18/95/992101895.db2.gz VBKDSECRMWULSK-KBPBESRZSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001392564724 992102901 /nfs/dbraw/zinc/10/29/01/992102901.db2.gz MHFPFGKOLFVTIK-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001392564724 992102908 /nfs/dbraw/zinc/10/29/08/992102908.db2.gz MHFPFGKOLFVTIK-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN[C@H]2CCNC2=O)CC1 ZINC001392603264 992148780 /nfs/dbraw/zinc/14/87/80/992148780.db2.gz SGSVOJMNVOFTNG-JSGCOSHPSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392607639 992154116 /nfs/dbraw/zinc/15/41/16/992154116.db2.gz LUCQPLPDYKVKPG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392607639 992154120 /nfs/dbraw/zinc/15/41/20/992154120.db2.gz LUCQPLPDYKVKPG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001392796432 992406703 /nfs/dbraw/zinc/40/67/03/992406703.db2.gz CMUVPKIUDJZASF-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001393326268 992882920 /nfs/dbraw/zinc/88/29/20/992882920.db2.gz IOQZLCORTCXACB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001393326268 992882924 /nfs/dbraw/zinc/88/29/24/992882924.db2.gz IOQZLCORTCXACB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001393326270 992883741 /nfs/dbraw/zinc/88/37/41/992883741.db2.gz IOQZLCORTCXACB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001393326270 992883744 /nfs/dbraw/zinc/88/37/44/992883744.db2.gz IOQZLCORTCXACB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393393654 992941646 /nfs/dbraw/zinc/94/16/46/992941646.db2.gz FLACDZFIAKYHAL-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CCC1 ZINC001393557458 993081068 /nfs/dbraw/zinc/08/10/68/993081068.db2.gz SMXFKKDJSZCQFP-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001393655600 993158703 /nfs/dbraw/zinc/15/87/03/993158703.db2.gz KAJJYLBMUROAPH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001393655600 993158708 /nfs/dbraw/zinc/15/87/08/993158708.db2.gz KAJJYLBMUROAPH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001393694964 993183212 /nfs/dbraw/zinc/18/32/12/993183212.db2.gz VFKZAOLGCZXEMO-YOEHRIQHSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001393902458 993332654 /nfs/dbraw/zinc/33/26/54/993332654.db2.gz WAELNFKPZXWHKY-NFOMZHRRSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001394003807 993404773 /nfs/dbraw/zinc/40/47/73/993404773.db2.gz OWBZCQRSSBDKMV-UONOGXRCSA-N 1 3 314.474 0.676 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001394393201 993675606 /nfs/dbraw/zinc/67/56/06/993675606.db2.gz ROVXYANGBCRQEZ-SYQHCUMBSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001394396776 993678152 /nfs/dbraw/zinc/67/81/52/993678152.db2.gz GYCBESJPQKPZAE-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001394396776 993678161 /nfs/dbraw/zinc/67/81/61/993678161.db2.gz GYCBESJPQKPZAE-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001394525419 993797247 /nfs/dbraw/zinc/79/72/47/993797247.db2.gz YWZBVBQGTAZGSB-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001394534450 993807456 /nfs/dbraw/zinc/80/74/56/993807456.db2.gz BDJDWXJLPVWELI-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001394671583 994000881 /nfs/dbraw/zinc/00/08/81/994000881.db2.gz QLHMXRHDZMSLNK-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001394671583 994000888 /nfs/dbraw/zinc/00/08/88/994000888.db2.gz QLHMXRHDZMSLNK-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001400060512 994117134 /nfs/dbraw/zinc/11/71/34/994117134.db2.gz ZXASLAAGWHBARB-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001400060512 994117137 /nfs/dbraw/zinc/11/71/37/994117137.db2.gz ZXASLAAGWHBARB-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@@H](CCNC(=O)[C@H]3CCCN3C)C2)cn1 ZINC001400172694 994235271 /nfs/dbraw/zinc/23/52/71/994235271.db2.gz GTHRIBZFZAQSBM-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@H]3CCCN3C)C2)cn1 ZINC001400172694 994235283 /nfs/dbraw/zinc/23/52/83/994235283.db2.gz GTHRIBZFZAQSBM-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001394968947 994317677 /nfs/dbraw/zinc/31/76/77/994317677.db2.gz BISHQDJLXLYOGG-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001395663695 994847724 /nfs/dbraw/zinc/84/77/24/994847724.db2.gz QHVKAXDODUBIHV-HIFRSBDPSA-N 1 3 314.474 0.487 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001401068371 995149016 /nfs/dbraw/zinc/14/90/16/995149016.db2.gz PRBDNOLMHFWJCB-RBSFLKMASA-N 1 3 315.458 0.351 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)CC[NH+](C)C)C1 ZINC001396184755 995244813 /nfs/dbraw/zinc/24/48/13/995244813.db2.gz COYLSZKOYKGNIR-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001396363568 995343394 /nfs/dbraw/zinc/34/33/94/995343394.db2.gz XZCJJKJVAYYUFH-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1)OC ZINC001502591521 1015987273 /nfs/dbraw/zinc/98/72/73/1015987273.db2.gz BWKOAODBMBDGFM-GDBMZVCRSA-N 1 3 324.425 0.320 20 0 DCADHO CC[C@H](C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1)OC ZINC001502591525 1015987987 /nfs/dbraw/zinc/98/79/87/1015987987.db2.gz BWKOAODBMBDGFM-ZBFHGGJFSA-N 1 3 324.425 0.320 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001397982534 996292085 /nfs/dbraw/zinc/29/20/85/996292085.db2.gz ARIAHVIERKIEHL-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCCC1)C1CC1)N(C)C ZINC001398404605 996502515 /nfs/dbraw/zinc/50/25/15/996502515.db2.gz XBJCILQNWGXTTL-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001398430850 996511718 /nfs/dbraw/zinc/51/17/18/996511718.db2.gz BUBCYHXJTIBQDN-MRXNPFEDSA-N 1 3 319.453 0.746 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001398456253 996525681 /nfs/dbraw/zinc/52/56/81/996525681.db2.gz VWNYMDARVOJILD-GOEBONIOSA-N 1 3 324.469 0.337 20 0 DCADHO CN1CC[C@@H](NC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001398758784 996675635 /nfs/dbraw/zinc/67/56/35/996675635.db2.gz ITOPPTHBSMOBES-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001398792896 996690822 /nfs/dbraw/zinc/69/08/22/996690822.db2.gz AVEMLQNYUIJQJX-MRXNPFEDSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001398828527 996706118 /nfs/dbraw/zinc/70/61/18/996706118.db2.gz LBKNNHWQYGYEBA-KCEFYPGHSA-N 1 3 321.465 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001398828527 996706122 /nfs/dbraw/zinc/70/61/22/996706122.db2.gz LBKNNHWQYGYEBA-KCEFYPGHSA-N 1 3 321.465 0.800 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001398915926 996746916 /nfs/dbraw/zinc/74/69/16/996746916.db2.gz GXNGQQQBIQTBQU-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001404338252 997007446 /nfs/dbraw/zinc/00/74/46/997007446.db2.gz MDYCYWUUTLILHT-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)[C@H](C)N1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001404508546 997184096 /nfs/dbraw/zinc/18/40/96/997184096.db2.gz GYFOIZVKFBKBCZ-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001404543925 997224106 /nfs/dbraw/zinc/22/41/06/997224106.db2.gz IUFVIEATYLMTJY-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001404543925 997224108 /nfs/dbraw/zinc/22/41/08/997224108.db2.gz IUFVIEATYLMTJY-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001399347507 997252133 /nfs/dbraw/zinc/25/21/33/997252133.db2.gz YAGPJZJORYEXDL-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001404653914 997335234 /nfs/dbraw/zinc/33/52/34/997335234.db2.gz KVIRDWOEPWWPRQ-KGLIPLIRSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001404653914 997335245 /nfs/dbraw/zinc/33/52/45/997335245.db2.gz KVIRDWOEPWWPRQ-KGLIPLIRSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001405178435 997892398 /nfs/dbraw/zinc/89/23/98/997892398.db2.gz UCJBARRQQFODLI-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO Cc1ccc(C)c(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001507259202 1016190053 /nfs/dbraw/zinc/19/00/53/1016190053.db2.gz CURZYSRVKZMCLO-DOTOQJQBSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(C)c(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001507259202 1016190062 /nfs/dbraw/zinc/19/00/62/1016190062.db2.gz CURZYSRVKZMCLO-DOTOQJQBSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001405686480 998470411 /nfs/dbraw/zinc/47/04/11/998470411.db2.gz CGIXHNCTVVUTND-CYBMUJFWSA-N 1 3 319.453 0.969 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)[C@@H]1C ZINC001507295345 1016226822 /nfs/dbraw/zinc/22/68/22/1016226822.db2.gz ALCUDMLQWZNTFM-DZGCQCFKSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)CN(C)C1CCC1 ZINC001511263713 1016238514 /nfs/dbraw/zinc/23/85/14/1016238514.db2.gz LQNLDURAMAWFJD-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001507311429 1016243965 /nfs/dbraw/zinc/24/39/65/1016243965.db2.gz AHSPKNXUAXZXHJ-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001507323251 1016253670 /nfs/dbraw/zinc/25/36/70/1016253670.db2.gz WDCKQHVNXPSGJZ-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](C[NH2+]C[C@H]1CCc2ncnn21)N(C)C(=O)Cc1c[nH]cn1 ZINC001401239852 1000300812 /nfs/dbraw/zinc/30/08/12/1000300812.db2.gz FDRCVUXFPIZSRH-WCQYABFASA-N 1 3 317.397 0.168 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001401256677 1000313887 /nfs/dbraw/zinc/31/38/87/1000313887.db2.gz NSDDKIFEFVHPDA-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001417074553 1000460928 /nfs/dbraw/zinc/46/09/28/1000460928.db2.gz FOKCRAIZKIQQPP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001418705142 1000462738 /nfs/dbraw/zinc/46/27/38/1000462738.db2.gz SOMGTGUDKKZJCO-DZKIICNBSA-N 1 3 321.469 0.991 20 0 DCADHO CN(CCN[C@@H]1CCN(C2CCC2)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001418824311 1000551877 /nfs/dbraw/zinc/55/18/77/1000551877.db2.gz FSCNUPDQACBUKJ-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCN[C@@H]1CCN(C2CCC2)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418824311 1000551883 /nfs/dbraw/zinc/55/18/83/1000551883.db2.gz FSCNUPDQACBUKJ-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H](C)C(=O)NC(C)(C)C ZINC001418833338 1000559404 /nfs/dbraw/zinc/55/94/04/1000559404.db2.gz UFLXRXAHCJOEFQ-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H](C)C(=O)NC(C)(C)C ZINC001418833338 1000559410 /nfs/dbraw/zinc/55/94/10/1000559410.db2.gz UFLXRXAHCJOEFQ-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)CC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001401649608 1000588718 /nfs/dbraw/zinc/58/87/18/1000588718.db2.gz YALPQPONMSEVIC-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cnn(C)n1 ZINC001401858587 1000793759 /nfs/dbraw/zinc/79/37/59/1000793759.db2.gz BCIUYGDYBLWDTP-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001401864516 1000798910 /nfs/dbraw/zinc/79/89/10/1000798910.db2.gz GSZDNTNKEAWXKY-DZGCQCFKSA-N 1 3 310.442 0.077 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001402051619 1000974973 /nfs/dbraw/zinc/97/49/73/1000974973.db2.gz KWLAINCXEWTSHM-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001419367036 1001003808 /nfs/dbraw/zinc/00/38/08/1001003808.db2.gz KZVYVLZXPZHSDH-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001419426137 1001040964 /nfs/dbraw/zinc/04/09/64/1001040964.db2.gz MLUBXCZEUHOGJW-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001419426137 1001040968 /nfs/dbraw/zinc/04/09/68/1001040968.db2.gz MLUBXCZEUHOGJW-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001419498491 1001098788 /nfs/dbraw/zinc/09/87/88/1001098788.db2.gz INXUJPJGXVKFRQ-ZNMIVQPWSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001419523190 1001114346 /nfs/dbraw/zinc/11/43/46/1001114346.db2.gz ZPKJEYNITBPHPD-SCUASFONSA-N 1 3 310.442 0.231 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001419527881 1001117819 /nfs/dbraw/zinc/11/78/19/1001117819.db2.gz JYLDJPFWFCPCAC-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001402314819 1001207054 /nfs/dbraw/zinc/20/70/54/1001207054.db2.gz OIKZPXCYNLVAKL-WCQYABFASA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC[C@H](C)F)C1 ZINC001402323266 1001215541 /nfs/dbraw/zinc/21/55/41/1001215541.db2.gz VAVGNXBKOPXADP-DZGCQCFKSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CC[C@H](C)F)C1 ZINC001402323266 1001215545 /nfs/dbraw/zinc/21/55/45/1001215545.db2.gz VAVGNXBKOPXADP-DZGCQCFKSA-N 1 3 303.422 0.628 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001419743675 1001272586 /nfs/dbraw/zinc/27/25/86/1001272586.db2.gz SYCCLMWNSKOCLS-MLGOLLRUSA-N 1 3 317.437 0.721 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N(C)C1CC1 ZINC001419761735 1001287250 /nfs/dbraw/zinc/28/72/50/1001287250.db2.gz WYWJGUXJQYWFFA-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N(C)C1CC1 ZINC001419761735 1001287257 /nfs/dbraw/zinc/28/72/57/1001287257.db2.gz WYWJGUXJQYWFFA-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCC(=O)NCCN1CCC(NCc2ccon2)CC1 ZINC001402437720 1001306614 /nfs/dbraw/zinc/30/66/14/1001306614.db2.gz NPGZJWXNYIIAQJ-UHFFFAOYSA-N 1 3 323.441 0.297 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001419812625 1001328913 /nfs/dbraw/zinc/32/89/13/1001328913.db2.gz CACYBODJYDMHQZ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001402462028 1001332470 /nfs/dbraw/zinc/33/24/70/1001332470.db2.gz OFZRUTPRRSEWDQ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001402462028 1001332475 /nfs/dbraw/zinc/33/24/75/1001332475.db2.gz OFZRUTPRRSEWDQ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC001419820317 1001333036 /nfs/dbraw/zinc/33/30/36/1001333036.db2.gz KKPCVZSZCMPECO-RISCZKNCSA-N 1 3 319.409 0.057 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001402610101 1001439995 /nfs/dbraw/zinc/43/99/95/1001439995.db2.gz HETHZOZFXXFQBH-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001402610101 1001439997 /nfs/dbraw/zinc/43/99/97/1001439997.db2.gz HETHZOZFXXFQBH-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001402755910 1001490344 /nfs/dbraw/zinc/49/03/44/1001490344.db2.gz COIZOJRWPHPWFZ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402787532 1001501741 /nfs/dbraw/zinc/50/17/41/1001501741.db2.gz ZATJQOAMBVAYNL-OAHLLOKOSA-N 1 3 310.486 0.813 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001402828616 1001520114 /nfs/dbraw/zinc/52/01/14/1001520114.db2.gz OIPBGKKFAORNQT-IYXRBSQSSA-N 1 3 310.442 0.091 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC(C)C ZINC001402891267 1001559635 /nfs/dbraw/zinc/55/96/35/1001559635.db2.gz KEWHKWBDGLILAM-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC(C)C ZINC001402891267 1001559638 /nfs/dbraw/zinc/55/96/38/1001559638.db2.gz KEWHKWBDGLILAM-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccnn1C ZINC001402895829 1001562230 /nfs/dbraw/zinc/56/22/30/1001562230.db2.gz VZKBFSLGDFXBPI-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccnn1C ZINC001402895829 1001562233 /nfs/dbraw/zinc/56/22/33/1001562233.db2.gz VZKBFSLGDFXBPI-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO Cc1ncc(CN[C@@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001505733292 1016505421 /nfs/dbraw/zinc/50/54/21/1016505421.db2.gz RBFZPGJSNNFLTA-STQMWFEESA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cncn1C ZINC001403025939 1001638008 /nfs/dbraw/zinc/63/80/08/1001638008.db2.gz XPDOWQFBGMWHET-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NCC(=O)N2CCC2)CC1 ZINC001403090326 1001669891 /nfs/dbraw/zinc/66/98/91/1001669891.db2.gz SVNGGDUQQFDOCU-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCCNC1=O ZINC001403173163 1001706347 /nfs/dbraw/zinc/70/63/47/1001706347.db2.gz YKZYXKYKVXBWDL-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001419943595 1001711221 /nfs/dbraw/zinc/71/12/21/1001711221.db2.gz OHCFKVABILXKIW-GOEBONIOSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001419943595 1001711224 /nfs/dbraw/zinc/71/12/24/1001711224.db2.gz OHCFKVABILXKIW-GOEBONIOSA-N 1 3 321.469 0.992 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419954588 1001719293 /nfs/dbraw/zinc/71/92/93/1001719293.db2.gz FVHMFSNNFKZGCJ-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CCCC2)C1 ZINC001403210397 1001734436 /nfs/dbraw/zinc/73/44/36/1001734436.db2.gz ALSMEONMXFRLLL-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1cc(CN[C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001403283559 1001779496 /nfs/dbraw/zinc/77/94/96/1001779496.db2.gz OCRLAABOKLINKE-CHWSQXEVSA-N 1 3 308.430 0.284 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001505755748 1016525504 /nfs/dbraw/zinc/52/55/04/1016525504.db2.gz PGJMJESIUNWOHN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NCc1cc2n(n1)CCC2 ZINC001403431263 1001958615 /nfs/dbraw/zinc/95/86/15/1001958615.db2.gz MIXPSBXTUPGYSO-ZDUSSCGKSA-N 1 3 307.442 0.765 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001403475890 1002007905 /nfs/dbraw/zinc/00/79/05/1002007905.db2.gz AHMLRFMTLOOUJP-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001403475890 1002007915 /nfs/dbraw/zinc/00/79/15/1002007915.db2.gz AHMLRFMTLOOUJP-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001403477885 1002009051 /nfs/dbraw/zinc/00/90/51/1002009051.db2.gz DMRMVJZHLCFVCH-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001403477885 1002009062 /nfs/dbraw/zinc/00/90/62/1002009062.db2.gz DMRMVJZHLCFVCH-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420240013 1002100510 /nfs/dbraw/zinc/10/05/10/1002100510.db2.gz DVZFRWHUYAXYSN-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001420240013 1002100514 /nfs/dbraw/zinc/10/05/14/1002100514.db2.gz DVZFRWHUYAXYSN-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccnn1C ZINC001420376443 1002304657 /nfs/dbraw/zinc/30/46/57/1002304657.db2.gz KOUOZVGHQVIRMA-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCc2ccccc21 ZINC001403695331 1002366907 /nfs/dbraw/zinc/36/69/07/1002366907.db2.gz DRYNLKYADMZYHR-GOEBONIOSA-N 1 3 305.422 0.692 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001505850176 1016612142 /nfs/dbraw/zinc/61/21/42/1016612142.db2.gz MYTIRDFPJVQCDW-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001505850807 1016613671 /nfs/dbraw/zinc/61/36/71/1016613671.db2.gz FGEVKXVJKSTCLN-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]CC(=O)NC)C(C)(C)C ZINC001508036717 1016618347 /nfs/dbraw/zinc/61/83/47/1016618347.db2.gz NCVURZZKXQGKLJ-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001403737886 1002442740 /nfs/dbraw/zinc/44/27/40/1002442740.db2.gz QJAFFWWWDGWMPI-UONOGXRCSA-N 1 3 320.441 0.155 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001403737886 1002442746 /nfs/dbraw/zinc/44/27/46/1002442746.db2.gz QJAFFWWWDGWMPI-UONOGXRCSA-N 1 3 320.441 0.155 20 0 DCADHO COCCN1CC([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001425252631 1002481991 /nfs/dbraw/zinc/48/19/91/1002481991.db2.gz KPLFDHNSKZYXBM-CYBMUJFWSA-N 1 3 313.442 0.180 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC001420492324 1002495636 /nfs/dbraw/zinc/49/56/36/1002495636.db2.gz GGINGMGSJKHZEE-ZDUSSCGKSA-N 1 3 323.441 0.125 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001471792926 1016653036 /nfs/dbraw/zinc/65/30/36/1016653036.db2.gz ZOGFBNJGYDKDAM-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001508103527 1016653385 /nfs/dbraw/zinc/65/33/85/1016653385.db2.gz MURMKMYMUPSIHF-NRXISQOPSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CCn1cncn1 ZINC001403876053 1002665169 /nfs/dbraw/zinc/66/51/69/1002665169.db2.gz IHFMNVJVJNEDGL-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCn1cncn1 ZINC001403876053 1002665175 /nfs/dbraw/zinc/66/51/75/1002665175.db2.gz IHFMNVJVJNEDGL-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403875030 1002665671 /nfs/dbraw/zinc/66/56/71/1002665671.db2.gz DVOQFVAWBXUNDU-ZBFHGGJFSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403875030 1002665677 /nfs/dbraw/zinc/66/56/77/1002665677.db2.gz DVOQFVAWBXUNDU-ZBFHGGJFSA-N 1 3 320.437 0.332 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001403943897 1002778487 /nfs/dbraw/zinc/77/84/87/1002778487.db2.gz DZGKYEWYDLVGCG-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C)C(N)=O ZINC001403953060 1002790838 /nfs/dbraw/zinc/79/08/38/1002790838.db2.gz CGALCVFPUSYETI-RYUDHWBXSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC(C)(C)C ZINC001420727969 1002872643 /nfs/dbraw/zinc/87/26/43/1002872643.db2.gz MRLKTXHJGAZRJL-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1C[C@@H]1CCc2ncnn21 ZINC001404010636 1002897648 /nfs/dbraw/zinc/89/76/48/1002897648.db2.gz OXLNTTIVZJNAHD-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CN1C(=O)CN1CCCC1 ZINC001425617143 1002900051 /nfs/dbraw/zinc/90/00/51/1002900051.db2.gz XNHVDJWMJNTXPI-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001425630285 1002909298 /nfs/dbraw/zinc/90/92/98/1002909298.db2.gz OYWVGCGXPJOSAX-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2cncn2C)C2CC2)C1 ZINC001420759228 1002921705 /nfs/dbraw/zinc/92/17/05/1002921705.db2.gz GJKXEGKEMMORPB-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH2+]CC(=O)NC ZINC001420807624 1002968180 /nfs/dbraw/zinc/96/81/80/1002968180.db2.gz UUXKUHVTXSVGHC-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CC[C@H]2CCOC2)CC1 ZINC001420856068 1003039092 /nfs/dbraw/zinc/03/90/92/1003039092.db2.gz ATWGXPMQIQPRHQ-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CNC(=O)[C@@H](C)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001420945532 1003161403 /nfs/dbraw/zinc/16/14/03/1003161403.db2.gz ONIKMQCOEBNUKN-OLZOCXBDSA-N 1 3 310.442 0.232 20 0 DCADHO CNC(=O)[C@@H](C)NC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001420945532 1003161406 /nfs/dbraw/zinc/16/14/06/1003161406.db2.gz ONIKMQCOEBNUKN-OLZOCXBDSA-N 1 3 310.442 0.232 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001425925492 1003260324 /nfs/dbraw/zinc/26/03/24/1003260324.db2.gz VIPYDNBLSSGRFR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001425925492 1003260335 /nfs/dbraw/zinc/26/03/35/1003260335.db2.gz VIPYDNBLSSGRFR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)n1 ZINC001406227110 1003497822 /nfs/dbraw/zinc/49/78/22/1003497822.db2.gz YRIRVBXFPSYADG-ZFWWWQNUSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](O)CN1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001421310533 1003528716 /nfs/dbraw/zinc/52/87/16/1003528716.db2.gz FFOVXVMZYRYIJO-KBPBESRZSA-N 1 3 313.442 0.011 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001406360097 1003639247 /nfs/dbraw/zinc/63/92/47/1003639247.db2.gz NNFDHIZXEZWPJQ-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001406360097 1003639255 /nfs/dbraw/zinc/63/92/55/1003639255.db2.gz NNFDHIZXEZWPJQ-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001426207893 1003653690 /nfs/dbraw/zinc/65/36/90/1003653690.db2.gz JKNYEJPBACVTQC-PNESKVBLSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001426223546 1003662659 /nfs/dbraw/zinc/66/26/59/1003662659.db2.gz JFWPQUSZTDULLS-RUXDESIVSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)CC(C)(C)C ZINC001406399423 1003681239 /nfs/dbraw/zinc/68/12/39/1003681239.db2.gz KETORXLVXJXGDF-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001406437722 1003716965 /nfs/dbraw/zinc/71/69/65/1003716965.db2.gz VXWACGLBBRUZEH-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001426595441 1003891835 /nfs/dbraw/zinc/89/18/35/1003891835.db2.gz QXSRGLMAOUKSJG-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001426595441 1003891851 /nfs/dbraw/zinc/89/18/51/1003891851.db2.gz QXSRGLMAOUKSJG-RBSFLKMASA-N 1 3 324.469 0.241 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001406710403 1004028438 /nfs/dbraw/zinc/02/84/38/1004028438.db2.gz WBJQRAAMITUUSN-GDBMZVCRSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001406710403 1004028447 /nfs/dbraw/zinc/02/84/47/1004028447.db2.gz WBJQRAAMITUUSN-GDBMZVCRSA-N 1 3 321.469 0.888 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406781763 1004090862 /nfs/dbraw/zinc/09/08/62/1004090862.db2.gz GLZHCSIYVCJECT-DZGCQCFKSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406781763 1004090871 /nfs/dbraw/zinc/09/08/71/1004090871.db2.gz GLZHCSIYVCJECT-DZGCQCFKSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN(C)C1CCC1 ZINC001428720970 1004130996 /nfs/dbraw/zinc/13/09/96/1004130996.db2.gz GCLHVZUJZYMGCS-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCc1cnn(C)c1 ZINC001506002103 1016860502 /nfs/dbraw/zinc/86/05/02/1016860502.db2.gz NXBOEKHEOPKBNW-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCc1cnn(C)c1 ZINC001506002103 1016860512 /nfs/dbraw/zinc/86/05/12/1016860512.db2.gz NXBOEKHEOPKBNW-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001407109862 1004392802 /nfs/dbraw/zinc/39/28/02/1004392802.db2.gz VHMWCUDSTMYMEE-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001407109862 1004392811 /nfs/dbraw/zinc/39/28/11/1004392811.db2.gz VHMWCUDSTMYMEE-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001407114278 1004395267 /nfs/dbraw/zinc/39/52/67/1004395267.db2.gz YMKVZBJHELDMEI-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001407239026 1004491900 /nfs/dbraw/zinc/49/19/00/1004491900.db2.gz RNHXRCQBYYXJPA-BLLLJJGKSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001429584801 1004683816 /nfs/dbraw/zinc/68/38/16/1004683816.db2.gz KTZBEDUDVPFGKN-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001429584801 1004683820 /nfs/dbraw/zinc/68/38/20/1004683820.db2.gz KTZBEDUDVPFGKN-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]C[C@@H](C)OC)CC1)N(C)C ZINC001408140672 1005072127 /nfs/dbraw/zinc/07/21/27/1005072127.db2.gz FMHXDBDSEGEQGC-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001408316300 1005155887 /nfs/dbraw/zinc/15/58/87/1005155887.db2.gz RWWHVTNTYNIVCF-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001414686591 1005384221 /nfs/dbraw/zinc/38/42/21/1005384221.db2.gz YJKIMPFMQUFMDQ-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001415518842 1005552283 /nfs/dbraw/zinc/55/22/83/1005552283.db2.gz IFKKQTSCMGXCPY-HNNXBMFYSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001416140578 1005665082 /nfs/dbraw/zinc/66/50/82/1005665082.db2.gz YMWSGWWYCCUJCJ-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001417811583 1005894903 /nfs/dbraw/zinc/89/49/03/1005894903.db2.gz BLGNARVCPGMKPD-RDBSUJKOSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)CC[N@@H+]1C ZINC001434780908 1005970872 /nfs/dbraw/zinc/97/08/72/1005970872.db2.gz FNYUERZOOJICEW-ILXRZTDVSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)CC[N@H+]1C ZINC001434780908 1005970879 /nfs/dbraw/zinc/97/08/79/1005970879.db2.gz FNYUERZOOJICEW-ILXRZTDVSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438678874 1006021727 /nfs/dbraw/zinc/02/17/27/1006021727.db2.gz ZMJPWWGHPXSOBZ-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001438694281 1006037079 /nfs/dbraw/zinc/03/70/79/1006037079.db2.gz QDBAUJVCFWEGEL-QWHCGFSZSA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001418111614 1006054138 /nfs/dbraw/zinc/05/41/38/1006054138.db2.gz USNVKTVPFZYEJP-IGQOVBAYSA-N 1 3 312.458 0.478 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438715837 1006065209 /nfs/dbraw/zinc/06/52/09/1006065209.db2.gz RXJNBWDXBCQJMZ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001438731508 1006079994 /nfs/dbraw/zinc/07/99/94/1006079994.db2.gz FUIQMZHECRKKAF-CABCVRRESA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001418127451 1006081847 /nfs/dbraw/zinc/08/18/47/1006081847.db2.gz NPMVPLONRXKRAZ-OKILXGFUSA-N 1 3 305.426 0.641 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001418172620 1006126929 /nfs/dbraw/zinc/12/69/29/1006126929.db2.gz HQAAGVQZFMOTCE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001418172620 1006126935 /nfs/dbraw/zinc/12/69/35/1006126935.db2.gz HQAAGVQZFMOTCE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001436358001 1006141396 /nfs/dbraw/zinc/14/13/96/1006141396.db2.gz FOAMQIHOXRLSQI-FPCVCCKLSA-N 1 3 309.454 0.849 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001436358006 1006141831 /nfs/dbraw/zinc/14/18/31/1006141831.db2.gz FOAMQIHOXRLSQI-QXSJWSMHSA-N 1 3 309.454 0.849 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001438829370 1006147156 /nfs/dbraw/zinc/14/71/56/1006147156.db2.gz ORQSCHOSBCPABB-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C ZINC001436431820 1006177025 /nfs/dbraw/zinc/17/70/25/1006177025.db2.gz MXIQHJIRTILJKZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001418232127 1006214692 /nfs/dbraw/zinc/21/46/92/1006214692.db2.gz BZPCJYPFXXUBAD-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccnn1C ZINC001418279733 1006294770 /nfs/dbraw/zinc/29/47/70/1006294770.db2.gz HBDSJQQNBZIWMM-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001418296069 1006324154 /nfs/dbraw/zinc/32/41/54/1006324154.db2.gz AKFFQNKZIXSCMW-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001418299969 1006329677 /nfs/dbraw/zinc/32/96/77/1006329677.db2.gz PXKIAWHVIYONTE-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001418330834 1006391740 /nfs/dbraw/zinc/39/17/40/1006391740.db2.gz VHTJSNSRYVQAHS-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2ccccc2F)C1 ZINC001439045390 1006404905 /nfs/dbraw/zinc/40/49/05/1006404905.db2.gz NGUDMAWPQIUTEG-UONOGXRCSA-N 1 3 309.385 0.344 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2ccccc2F)C1 ZINC001439045390 1006404912 /nfs/dbraw/zinc/40/49/12/1006404912.db2.gz NGUDMAWPQIUTEG-UONOGXRCSA-N 1 3 309.385 0.344 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](NCC(N)=O)C1CC1)[NH+]1CCCCC1 ZINC001436834110 1006408929 /nfs/dbraw/zinc/40/89/29/1006408929.db2.gz QMQBSMVJQVEMIA-GDBMZVCRSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnnn1C ZINC001418405297 1006480479 /nfs/dbraw/zinc/48/04/79/1006480479.db2.gz ZYMJTHCMUACACO-GFCCVEGCSA-N 1 3 308.430 0.284 20 0 DCADHO CC(C)N1CC[C@H](NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001439142166 1006507496 /nfs/dbraw/zinc/50/74/96/1006507496.db2.gz GGKLUEBOURJZAO-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001439181713 1006551192 /nfs/dbraw/zinc/55/11/92/1006551192.db2.gz IGTKUEQFDVUTFO-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)CC ZINC001439212584 1006585473 /nfs/dbraw/zinc/58/54/73/1006585473.db2.gz HGHNZDHYRLZGTH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)CC ZINC001439212584 1006585482 /nfs/dbraw/zinc/58/54/82/1006585482.db2.gz HGHNZDHYRLZGTH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C(C)(C)C)C1=O)NC(=O)CC[NH+](C)C ZINC001439246416 1006623281 /nfs/dbraw/zinc/62/32/81/1006623281.db2.gz SGPNLQWSKBZYBE-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC1CCC1 ZINC001437129393 1006624858 /nfs/dbraw/zinc/62/48/58/1006624858.db2.gz JLSVVHIYKJTYCO-GZBFAFLISA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC1CCC1 ZINC001437129393 1006624863 /nfs/dbraw/zinc/62/48/63/1006624863.db2.gz JLSVVHIYKJTYCO-GZBFAFLISA-N 1 3 324.469 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001437153936 1006646905 /nfs/dbraw/zinc/64/69/05/1006646905.db2.gz VNXCJEGFMLDQIA-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001437153936 1006646911 /nfs/dbraw/zinc/64/69/11/1006646911.db2.gz VNXCJEGFMLDQIA-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC001437204163 1006701930 /nfs/dbraw/zinc/70/19/30/1006701930.db2.gz SQYNPTZKGDTYSJ-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccnc(N(C)C)c1 ZINC001437261606 1006781484 /nfs/dbraw/zinc/78/14/84/1006781484.db2.gz OIAOAMLUMCWBOQ-ZFWWWQNUSA-N 1 3 319.453 0.694 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccnc(N(C)C)c1 ZINC001437261606 1006781490 /nfs/dbraw/zinc/78/14/90/1006781490.db2.gz OIAOAMLUMCWBOQ-ZFWWWQNUSA-N 1 3 319.453 0.694 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001452884876 1007130920 /nfs/dbraw/zinc/13/09/20/1007130920.db2.gz LTFOBSOXSQFSDW-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001452884876 1007130924 /nfs/dbraw/zinc/13/09/24/1007130924.db2.gz LTFOBSOXSQFSDW-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001452986359 1007185172 /nfs/dbraw/zinc/18/51/72/1007185172.db2.gz KSCGMGRXJCFAGF-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001452986359 1007185177 /nfs/dbraw/zinc/18/51/77/1007185177.db2.gz KSCGMGRXJCFAGF-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001437733800 1007326447 /nfs/dbraw/zinc/32/64/47/1007326447.db2.gz APAVUXSHLGBXLI-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437835254 1007446479 /nfs/dbraw/zinc/44/64/79/1007446479.db2.gz HETWOXSIZASIHG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437835254 1007446485 /nfs/dbraw/zinc/44/64/85/1007446485.db2.gz HETWOXSIZASIHG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001437838355 1007450417 /nfs/dbraw/zinc/45/04/17/1007450417.db2.gz UDGVACDDEUPNIK-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001437838355 1007450419 /nfs/dbraw/zinc/45/04/19/1007450419.db2.gz UDGVACDDEUPNIK-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001437841217 1007456802 /nfs/dbraw/zinc/45/68/02/1007456802.db2.gz WSULKGJGTYCPKZ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001437841217 1007456805 /nfs/dbraw/zinc/45/68/05/1007456805.db2.gz WSULKGJGTYCPKZ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001437859834 1007469842 /nfs/dbraw/zinc/46/98/42/1007469842.db2.gz XPQUZBYWJCZAQF-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](NCCO)c2ccccc2)C1 ZINC001437869498 1007473376 /nfs/dbraw/zinc/47/33/76/1007473376.db2.gz HLVRYGOCELUJHU-GDBMZVCRSA-N 1 3 305.422 0.768 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](NCCO)c2ccccc2)C1 ZINC001437869498 1007473384 /nfs/dbraw/zinc/47/33/84/1007473384.db2.gz HLVRYGOCELUJHU-GDBMZVCRSA-N 1 3 305.422 0.768 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001437992802 1007571800 /nfs/dbraw/zinc/57/18/00/1007571800.db2.gz IZSNYBLELPGZQQ-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001437992802 1007571805 /nfs/dbraw/zinc/57/18/05/1007571805.db2.gz IZSNYBLELPGZQQ-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(CN(C)CC(N)=O)CC1)[NH+](C)C ZINC001438003395 1007578242 /nfs/dbraw/zinc/57/82/42/1007578242.db2.gz BHPSGDZQMWYOLG-OAHLLOKOSA-N 1 3 312.458 0.228 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001440284214 1007642884 /nfs/dbraw/zinc/64/28/84/1007642884.db2.gz VOCNKYORPBUSJO-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001440309301 1007659269 /nfs/dbraw/zinc/65/92/69/1007659269.db2.gz VVDUUMWHHXYXTM-KFWWJZLASA-N 1 3 319.453 0.746 20 0 DCADHO CN1CC[C@@H](N2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001440395550 1007726642 /nfs/dbraw/zinc/72/66/42/1007726642.db2.gz NNISWHVJLIPMNC-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001440414914 1007744192 /nfs/dbraw/zinc/74/41/92/1007744192.db2.gz LRGLZROJENYIEH-APIJFGDWSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001440414914 1007744196 /nfs/dbraw/zinc/74/41/96/1007744196.db2.gz LRGLZROJENYIEH-APIJFGDWSA-N 1 3 324.469 0.289 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440468723 1007799818 /nfs/dbraw/zinc/79/98/18/1007799818.db2.gz PKMYAXWOQOEOAY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001440468723 1007799825 /nfs/dbraw/zinc/79/98/25/1007799825.db2.gz PKMYAXWOQOEOAY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)[C@@H]1CCCNC1=O ZINC001440469584 1007805941 /nfs/dbraw/zinc/80/59/41/1007805941.db2.gz JQSBKKTYSXLXMV-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)[C@@H]1CCCNC1=O ZINC001440469584 1007805949 /nfs/dbraw/zinc/80/59/49/1007805949.db2.gz JQSBKKTYSXLXMV-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCC[N@H+](C)CCc1cnn(C)c1)C(=O)CN1CCCC1 ZINC001440483876 1007818247 /nfs/dbraw/zinc/81/82/47/1007818247.db2.gz QYRWTTTUAKUNBX-UHFFFAOYSA-N 1 3 321.469 0.839 20 0 DCADHO CN(CCC[N@@H+](C)CCc1cnn(C)c1)C(=O)CN1CCCC1 ZINC001440483876 1007818256 /nfs/dbraw/zinc/81/82/56/1007818256.db2.gz QYRWTTTUAKUNBX-UHFFFAOYSA-N 1 3 321.469 0.839 20 0 DCADHO CC[C@H](F)CN[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001440554420 1007883091 /nfs/dbraw/zinc/88/30/91/1007883091.db2.gz YMQGJKPZHMQWQD-DZGCQCFKSA-N 1 3 303.422 0.629 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001440592281 1007906930 /nfs/dbraw/zinc/90/69/30/1007906930.db2.gz XHOIJBPRKAZCTM-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001440751419 1007997586 /nfs/dbraw/zinc/99/75/86/1007997586.db2.gz VXYDAGAMNRRTNJ-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO COc1nccc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)n1 ZINC001440755265 1007999623 /nfs/dbraw/zinc/99/96/23/1007999623.db2.gz CDFCYDIQHSXATI-UHFFFAOYSA-N 1 3 321.425 0.421 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC001438596642 1008021496 /nfs/dbraw/zinc/02/14/96/1008021496.db2.gz MPWQWIBRRDXRRW-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCC(=O)N1CCCC1 ZINC001440818727 1008044703 /nfs/dbraw/zinc/04/47/03/1008044703.db2.gz LTJOSTMRPIFOOM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001440832285 1008051935 /nfs/dbraw/zinc/05/19/35/1008051935.db2.gz SPZHXWHKRMNVSW-UONOGXRCSA-N 1 3 322.457 0.635 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1ccnn1C ZINC001440861846 1008077947 /nfs/dbraw/zinc/07/79/47/1008077947.db2.gz QLZOFTMBNSNPTA-KGLIPLIRSA-N 1 3 309.458 0.786 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001441312199 1008317276 /nfs/dbraw/zinc/31/72/76/1008317276.db2.gz QVOONLZXAKXMIK-APIJFGDWSA-N 1 3 322.453 0.029 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001441312199 1008317279 /nfs/dbraw/zinc/31/72/79/1008317279.db2.gz QVOONLZXAKXMIK-APIJFGDWSA-N 1 3 322.453 0.029 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCc1cnnn1C)C1CC1 ZINC001441449884 1008358954 /nfs/dbraw/zinc/35/89/54/1008358954.db2.gz PAKDTYHGYULKDK-AWEZNQCLSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NCC1CC1 ZINC001441585155 1008414349 /nfs/dbraw/zinc/41/43/49/1008414349.db2.gz LSAULTDHMGYEFT-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001441654714 1008442702 /nfs/dbraw/zinc/44/27/02/1008442702.db2.gz KFHJGNQCFAVYKV-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001441856994 1008584229 /nfs/dbraw/zinc/58/42/29/1008584229.db2.gz RKTNNDFTVUDAOE-GXTWGEPZSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001453666002 1008650127 /nfs/dbraw/zinc/65/01/27/1008650127.db2.gz PFANWKMHRBOHLT-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C(C)(C)C1 ZINC001441919592 1008657466 /nfs/dbraw/zinc/65/74/66/1008657466.db2.gz PFLFWOUFMKUBDK-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001421511982 1008676668 /nfs/dbraw/zinc/67/66/68/1008676668.db2.gz MAFKFQRSOZLEFE-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001454055325 1008882305 /nfs/dbraw/zinc/88/23/05/1008882305.db2.gz VHMWCUDSTMYMEE-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001454055325 1008882311 /nfs/dbraw/zinc/88/23/11/1008882311.db2.gz VHMWCUDSTMYMEE-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C(C)(C)C ZINC001442176911 1009056906 /nfs/dbraw/zinc/05/69/06/1009056906.db2.gz NIOUNOGLDRSREZ-RYUDHWBXSA-N 1 3 300.447 0.321 20 0 DCADHO Cc1nc(CNC2(CNC(=O)C3CC[NH+](C)CC3)CCC2)n[nH]1 ZINC001421773274 1009067126 /nfs/dbraw/zinc/06/71/26/1009067126.db2.gz XOSVTEBWPKNEOA-UHFFFAOYSA-N 1 3 320.441 0.583 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001442195155 1009082010 /nfs/dbraw/zinc/08/20/10/1009082010.db2.gz DXJMHJXCUPDYEL-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CC(=O)N(C)C1CC([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001442252003 1009136628 /nfs/dbraw/zinc/13/66/28/1009136628.db2.gz KNRZPELJCUHNIO-JXQTWKCFSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001433743669 1009139970 /nfs/dbraw/zinc/13/99/70/1009139970.db2.gz SIGAOKNQRQXFCF-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001433743669 1009139975 /nfs/dbraw/zinc/13/99/75/1009139975.db2.gz SIGAOKNQRQXFCF-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001421839632 1009153346 /nfs/dbraw/zinc/15/33/46/1009153346.db2.gz MOBXUPAHRNVVIT-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC2CC2)CCCC1)N(C)C ZINC001421848413 1009163100 /nfs/dbraw/zinc/16/31/00/1009163100.db2.gz VFAFYCJQUKBQSO-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC001422028507 1009414888 /nfs/dbraw/zinc/41/48/88/1009414888.db2.gz KRYSQNYGECUBOZ-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC001422028507 1009414890 /nfs/dbraw/zinc/41/48/90/1009414890.db2.gz KRYSQNYGECUBOZ-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001422030821 1009418264 /nfs/dbraw/zinc/41/82/64/1009418264.db2.gz NXBKGEFXPMVOOV-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C)n[nH]1 ZINC001422037520 1009425629 /nfs/dbraw/zinc/42/56/29/1009425629.db2.gz ARPWPWIEAQDENB-WCQYABFASA-N 1 3 320.441 0.391 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001422081106 1009466536 /nfs/dbraw/zinc/46/65/36/1009466536.db2.gz DVNLMRRGTVOKBZ-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001422135496 1009526850 /nfs/dbraw/zinc/52/68/50/1009526850.db2.gz NCTLTOCHHVPHHT-STQMWFEESA-N 1 3 300.447 0.192 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)CC1 ZINC001422220764 1009669241 /nfs/dbraw/zinc/66/92/41/1009669241.db2.gz RNGKVTKXHJQLFC-HZPDHXFCSA-N 1 3 317.433 0.692 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](O)COC)N(C)C ZINC001422225683 1009673783 /nfs/dbraw/zinc/67/37/83/1009673783.db2.gz IHXQSRBDZMEQNP-RBSFLKMASA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@@H](O)COC)N(C)C ZINC001422225683 1009673786 /nfs/dbraw/zinc/67/37/86/1009673786.db2.gz IHXQSRBDZMEQNP-RBSFLKMASA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)CN(C)C(C)C)[NH+](C)C ZINC001455384906 1009699124 /nfs/dbraw/zinc/69/91/24/1009699124.db2.gz LDIBWTJAESSNOS-OAHLLOKOSA-N 1 3 314.474 0.487 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001422352115 1009932990 /nfs/dbraw/zinc/93/29/90/1009932990.db2.gz REGJTQWFXBZPTN-LSDHHAIUSA-N 1 3 311.401 0.733 20 0 DCADHO C[C@H](NCc1cnn(C)c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001422374079 1009970383 /nfs/dbraw/zinc/97/03/83/1009970383.db2.gz FKWFPPLWXYRPQC-STQMWFEESA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422390544 1009999669 /nfs/dbraw/zinc/99/96/69/1009999669.db2.gz GKYRCECYINWEQQ-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001422416080 1010051720 /nfs/dbraw/zinc/05/17/20/1010051720.db2.gz LYDSHQQXZPNMSA-ZIAGYGMSSA-N 1 3 322.453 0.710 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001422506616 1010202390 /nfs/dbraw/zinc/20/23/90/1010202390.db2.gz UBSMKFDOWJAYRQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001422506616 1010202400 /nfs/dbraw/zinc/20/24/00/1010202400.db2.gz UBSMKFDOWJAYRQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422512873 1010212594 /nfs/dbraw/zinc/21/25/94/1010212594.db2.gz PJPKUJHZAVOOBH-CYBMUJFWSA-N 1 3 305.426 0.643 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001422516089 1010223056 /nfs/dbraw/zinc/22/30/56/1010223056.db2.gz JNJHUIIHFGFUMK-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001422516089 1010223063 /nfs/dbraw/zinc/22/30/63/1010223063.db2.gz JNJHUIIHFGFUMK-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO C[C@H](C(=O)NC1CC1)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443346724 1010354501 /nfs/dbraw/zinc/35/45/01/1010354501.db2.gz YMIUOQDRQDUHHL-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001443350255 1010360227 /nfs/dbraw/zinc/36/02/27/1010360227.db2.gz RAXXEABLIFZJPB-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001443350255 1010360234 /nfs/dbraw/zinc/36/02/34/1010360234.db2.gz RAXXEABLIFZJPB-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](CNCC(=O)NCC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422588734 1010363952 /nfs/dbraw/zinc/36/39/52/1010363952.db2.gz GKNCNMYYANBLJB-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001422650546 1010455804 /nfs/dbraw/zinc/45/58/04/1010455804.db2.gz OMHVQIHIXSXMFF-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001422650546 1010455809 /nfs/dbraw/zinc/45/58/09/1010455809.db2.gz OMHVQIHIXSXMFF-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CCCC[C@H](CNCC(=O)NC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422684179 1010487531 /nfs/dbraw/zinc/48/75/31/1010487531.db2.gz DFTALXSTVXDVCV-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCCC[C@H](CNCC(=O)NC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422684179 1010487534 /nfs/dbraw/zinc/48/75/34/1010487534.db2.gz DFTALXSTVXDVCV-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCCC[C@@H](CNCC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001422692544 1010493566 /nfs/dbraw/zinc/49/35/66/1010493566.db2.gz RSRRMYGRIDKEPZ-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H]2CCN(C)C2=O)CCCC1 ZINC001444090637 1010846839 /nfs/dbraw/zinc/84/68/39/1010846839.db2.gz SXYRMUPFJPFBEE-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCn1cccn1)N(C)C ZINC001423084743 1010873991 /nfs/dbraw/zinc/87/39/91/1010873991.db2.gz SCLRYVOFQOPFBX-CABCVRRESA-N 1 3 309.458 0.906 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001423108051 1010894217 /nfs/dbraw/zinc/89/42/17/1010894217.db2.gz RAWLEVVDZFXDHX-KGLIPLIRSA-N 1 3 314.474 0.630 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001423264486 1011028106 /nfs/dbraw/zinc/02/81/06/1011028106.db2.gz PCOXTJVRLMEIMN-RYUDHWBXSA-N 1 3 307.385 0.439 20 0 DCADHO O=C(NC[C@H](CO)NCc1ccc(F)cc1)C12CC[NH+](CC1)C2 ZINC001423297293 1011056503 /nfs/dbraw/zinc/05/65/03/1011056503.db2.gz ODXJMVSVVVYTNA-OAHLLOKOSA-N 1 3 321.396 0.488 20 0 DCADHO CCn1nnc(C)c1CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001423329061 1011079221 /nfs/dbraw/zinc/07/92/21/1011079221.db2.gz PUNIOWHKWIXXLE-UONOGXRCSA-N 1 3 322.457 0.637 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCc1cnn(C)c1 ZINC001423373633 1011108052 /nfs/dbraw/zinc/10/80/52/1011108052.db2.gz PEGKESHDGTZRPV-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444695801 1011135041 /nfs/dbraw/zinc/13/50/41/1011135041.db2.gz ODSVNUPINIMVAT-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001444724334 1011147264 /nfs/dbraw/zinc/14/72/64/1011147264.db2.gz SBNFLGYTZVHLRD-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001444787841 1011173093 /nfs/dbraw/zinc/17/30/93/1011173093.db2.gz LPXZDDSHCKPXBH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001423472955 1011173268 /nfs/dbraw/zinc/17/32/68/1011173268.db2.gz DUMOIYZEVPIUQT-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN(C)CCc1ccnn1C)[NH+](C)C ZINC001445025285 1011331102 /nfs/dbraw/zinc/33/11/02/1011331102.db2.gz HDQAGCQEJDLLSV-MRXNPFEDSA-N 1 3 323.485 0.939 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445176584 1011487750 /nfs/dbraw/zinc/48/77/50/1011487750.db2.gz GABJGLZZYRBZOI-VNQPRFMTSA-N 1 3 320.437 0.297 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445176584 1011487762 /nfs/dbraw/zinc/48/77/62/1011487762.db2.gz GABJGLZZYRBZOI-VNQPRFMTSA-N 1 3 320.437 0.297 20 0 DCADHO C[C@@H](CC[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001445314493 1011640761 /nfs/dbraw/zinc/64/07/61/1011640761.db2.gz MBCYBUKNZYHUOC-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@@H](C)C(=O)NC ZINC001445311370 1011641303 /nfs/dbraw/zinc/64/13/03/1011641303.db2.gz ZYKFXUPDIQYION-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@@H](C)C(=O)NC ZINC001445311370 1011641315 /nfs/dbraw/zinc/64/13/15/1011641315.db2.gz ZYKFXUPDIQYION-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001445446458 1011775881 /nfs/dbraw/zinc/77/58/81/1011775881.db2.gz MVAXAZRHGIOQKL-UKRRQHHQSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001445446458 1011775897 /nfs/dbraw/zinc/77/58/97/1011775897.db2.gz MVAXAZRHGIOQKL-UKRRQHHQSA-N 1 3 324.469 0.622 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2CCn1cncn1 ZINC001424032173 1011883370 /nfs/dbraw/zinc/88/33/70/1011883370.db2.gz BVHKTXHFZGOTDO-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@@H](C)OC)C1 ZINC001424051365 1011918656 /nfs/dbraw/zinc/91/86/56/1011918656.db2.gz ZAZKXQUMYPAAHT-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@@H](C)OC)C1 ZINC001424051365 1011918669 /nfs/dbraw/zinc/91/86/69/1011918669.db2.gz ZAZKXQUMYPAAHT-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553425024 1011962205 /nfs/dbraw/zinc/96/22/05/1011962205.db2.gz REWGOXBYZFDPKO-QXSJWSMHSA-N 1 3 317.389 0.805 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC001553452208 1011989195 /nfs/dbraw/zinc/98/91/95/1011989195.db2.gz UQBLAKVWZCUJPB-OWCLPIDISA-N 1 3 324.469 0.738 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)CC1(C)C ZINC001553479783 1012013275 /nfs/dbraw/zinc/01/32/75/1012013275.db2.gz KZSQKXLDFTUTNT-CQSZACIVSA-N 1 3 323.485 0.535 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001553504509 1012045904 /nfs/dbraw/zinc/04/59/04/1012045904.db2.gz PZTZLCWXXNCYQG-ZBFHGGJFSA-N 1 3 324.469 0.786 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@@]12CC[NH2+]C2 ZINC001553510074 1012050243 /nfs/dbraw/zinc/05/02/43/1012050243.db2.gz POMHTJAMIBJPKE-WBVHZDCISA-N 1 3 322.453 0.777 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[NH2+]1 ZINC001553509116 1012051942 /nfs/dbraw/zinc/05/19/42/1012051942.db2.gz WBSGQDOAKGJLED-KBUPBQIOSA-N 1 3 310.442 0.368 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC001553511511 1012053713 /nfs/dbraw/zinc/05/37/13/1012053713.db2.gz UDXNGQHBFRDKCN-FRFSOERESA-N 1 3 322.453 0.681 20 0 DCADHO [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCCC1 ZINC001553517802 1012068475 /nfs/dbraw/zinc/06/84/75/1012068475.db2.gz MBVKUXLVDOJVOH-ZIAGYGMSSA-N 1 3 310.442 0.499 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001432264229 1012224658 /nfs/dbraw/zinc/22/46/58/1012224658.db2.gz BUJOSLUZCQOALV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001432264229 1012224674 /nfs/dbraw/zinc/22/46/74/1012224674.db2.gz BUJOSLUZCQOALV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001432264233 1012225479 /nfs/dbraw/zinc/22/54/79/1012225479.db2.gz BUJOSLUZCQOALV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001432264233 1012225489 /nfs/dbraw/zinc/22/54/89/1012225489.db2.gz BUJOSLUZCQOALV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001424261235 1012258696 /nfs/dbraw/zinc/25/86/96/1012258696.db2.gz PVCXHWUTEISJEG-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001424261235 1012258711 /nfs/dbraw/zinc/25/87/11/1012258711.db2.gz PVCXHWUTEISJEG-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001458764804 1012353125 /nfs/dbraw/zinc/35/31/25/1012353125.db2.gz BSNMCVMURIXDDJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001424480992 1012561130 /nfs/dbraw/zinc/56/11/30/1012561130.db2.gz KPXLYEFVSKGQFC-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]CC2CCC2)CC1 ZINC001424529732 1012616341 /nfs/dbraw/zinc/61/63/41/1012616341.db2.gz KWDNHHJUMULTIE-UHFFFAOYSA-N 1 3 309.454 0.825 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1 ZINC001446170473 1012657636 /nfs/dbraw/zinc/65/76/36/1012657636.db2.gz MZVCKDCIUDVSRY-KGLIPLIRSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1 ZINC001446170473 1012657643 /nfs/dbraw/zinc/65/76/43/1012657643.db2.gz MZVCKDCIUDVSRY-KGLIPLIRSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCN2CCCC2=O)CC1)C1CCC1 ZINC001446182603 1012662435 /nfs/dbraw/zinc/66/24/35/1012662435.db2.gz OVQLLMZYZIXKOS-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001446408333 1012792249 /nfs/dbraw/zinc/79/22/49/1012792249.db2.gz JKGHMRHKSFRUBM-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(C)CCN([C@H]2CCCNC2=O)CC1 ZINC001446652640 1012882803 /nfs/dbraw/zinc/88/28/03/1012882803.db2.gz UJTPPWDROPBKAV-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001506296646 1017189859 /nfs/dbraw/zinc/18/98/59/1017189859.db2.gz DWUVHZNTUMVWLE-CYBMUJFWSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001506296646 1017189868 /nfs/dbraw/zinc/18/98/68/1017189868.db2.gz DWUVHZNTUMVWLE-CYBMUJFWSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001506328903 1017217378 /nfs/dbraw/zinc/21/73/78/1017217378.db2.gz ACMLCGCAIYKWAX-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](O)CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001479320137 1017493682 /nfs/dbraw/zinc/49/36/82/1017493682.db2.gz AIBTXSQIPMMBPQ-YHUYYLMFSA-N 1 3 311.470 0.974 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)CC[N@H+]1CCO ZINC001479635851 1017614714 /nfs/dbraw/zinc/61/47/14/1017614714.db2.gz PWTOEDWFCDAGHO-MELADBBJSA-N 1 3 303.422 0.628 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)CC[N@@H+]1CCO ZINC001479635851 1017614704 /nfs/dbraw/zinc/61/47/04/1017614704.db2.gz PWTOEDWFCDAGHO-MELADBBJSA-N 1 3 303.422 0.628 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001506886225 1017642565 /nfs/dbraw/zinc/64/25/65/1017642565.db2.gz HHHKAMMVOIMXKR-MQMHXKEQSA-N 1 3 322.453 0.234 20 0 DCADHO Cc1nccnc1CNCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497321112 1018043989 /nfs/dbraw/zinc/04/39/89/1018043989.db2.gz BQZVLCWUYNTGHV-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CNCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497321112 1018044000 /nfs/dbraw/zinc/04/40/00/1018044000.db2.gz BQZVLCWUYNTGHV-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001497384395 1018100960 /nfs/dbraw/zinc/10/09/60/1018100960.db2.gz WWXCJIDNKDTOPQ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001497384395 1018100966 /nfs/dbraw/zinc/10/09/66/1018100966.db2.gz WWXCJIDNKDTOPQ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCN(C)C1=O ZINC001480084232 1018192320 /nfs/dbraw/zinc/19/23/20/1018192320.db2.gz JUTZEDVDNWBEFW-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001500122440 1018237540 /nfs/dbraw/zinc/23/75/40/1018237540.db2.gz DODCOMQINAUKSG-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001500122440 1018237552 /nfs/dbraw/zinc/23/75/52/1018237552.db2.gz DODCOMQINAUKSG-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cccn1 ZINC001495059787 1018274158 /nfs/dbraw/zinc/27/41/58/1018274158.db2.gz WHZDQPBBWIYCBW-CABCVRRESA-N 1 3 307.442 0.709 20 0 DCADHO C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497680691 1018329597 /nfs/dbraw/zinc/32/95/97/1018329597.db2.gz MZIYUJNUPZOQBT-PXONKACGSA-N 1 3 315.433 0.842 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001480238152 1018349772 /nfs/dbraw/zinc/34/97/72/1018349772.db2.gz PEBWESNQUXOHQT-KFWWJZLASA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)NC/C=C/CN[C@@H]1CCCN(C)C1=O ZINC001497719976 1018363526 /nfs/dbraw/zinc/36/35/26/1018363526.db2.gz SWSVRYHWSHNBRF-VBROQKIQSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC/C=C/CN[C@@H]1CCCN(C)C1=O ZINC001497719976 1018363534 /nfs/dbraw/zinc/36/35/34/1018363534.db2.gz SWSVRYHWSHNBRF-VBROQKIQSA-N 1 3 310.442 0.211 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001480307874 1018414798 /nfs/dbraw/zinc/41/47/98/1018414798.db2.gz WUEPEJZUQRSLOR-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001500380547 1018434030 /nfs/dbraw/zinc/43/40/30/1018434030.db2.gz UORGLPKAMOXOPT-MRXNPFEDSA-N 1 3 321.425 0.307 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001497831494 1018456533 /nfs/dbraw/zinc/45/65/33/1018456533.db2.gz NHSGQCYNPPEBJO-YPMHNXCESA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001497831494 1018456537 /nfs/dbraw/zinc/45/65/37/1018456537.db2.gz NHSGQCYNPPEBJO-YPMHNXCESA-N 1 3 308.430 0.582 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001495392768 1018485896 /nfs/dbraw/zinc/48/58/96/1018485896.db2.gz HOTXMHINJFKIIL-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H]([NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001495446329 1018510490 /nfs/dbraw/zinc/51/04/90/1018510490.db2.gz WHNJRJHACJRGEI-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480461691 1018555800 /nfs/dbraw/zinc/55/58/00/1018555800.db2.gz AZJWZFGGORVGHW-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001480472054 1018566983 /nfs/dbraw/zinc/56/69/83/1018566983.db2.gz MQBCXTXJQLJBPP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001480472054 1018566994 /nfs/dbraw/zinc/56/69/94/1018566994.db2.gz MQBCXTXJQLJBPP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001497998630 1018571751 /nfs/dbraw/zinc/57/17/51/1018571751.db2.gz JDQLLBBUKCYNLJ-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001497998630 1018571763 /nfs/dbraw/zinc/57/17/63/1018571763.db2.gz JDQLLBBUKCYNLJ-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001495593352 1018589958 /nfs/dbraw/zinc/58/99/58/1018589958.db2.gz XVYVFUNCPNIMEF-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001480537204 1018637960 /nfs/dbraw/zinc/63/79/60/1018637960.db2.gz MNQYOHHLPNXYCM-XHDPSFHLSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001480537204 1018637966 /nfs/dbraw/zinc/63/79/66/1018637966.db2.gz MNQYOHHLPNXYCM-XHDPSFHLSA-N 1 3 316.421 0.039 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495669573 1018639174 /nfs/dbraw/zinc/63/91/74/1018639174.db2.gz SBGPHZIMWCFDGR-UMVBOHGHSA-N 1 3 307.442 0.602 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001495669573 1018639179 /nfs/dbraw/zinc/63/91/79/1018639179.db2.gz SBGPHZIMWCFDGR-UMVBOHGHSA-N 1 3 307.442 0.602 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001498106388 1018656334 /nfs/dbraw/zinc/65/63/34/1018656334.db2.gz UXMALLCLMNROEQ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480575429 1018674207 /nfs/dbraw/zinc/67/42/07/1018674207.db2.gz RUFFLRQJGGVDMW-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001495743922 1018678087 /nfs/dbraw/zinc/67/80/87/1018678087.db2.gz TYQOHPMPOLLMKM-OLZOCXBDSA-N 1 3 314.474 0.441 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001498327907 1018960808 /nfs/dbraw/zinc/96/08/08/1018960808.db2.gz SLUPKVKQSUDPDQ-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001501229645 1018970739 /nfs/dbraw/zinc/97/07/39/1018970739.db2.gz CTGGBZLVTPOOQL-GASCZTMLSA-N 1 3 302.422 0.924 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496063068 1019030078 /nfs/dbraw/zinc/03/00/78/1019030078.db2.gz YHNGATCPXBZGQM-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001496153299 1019114811 /nfs/dbraw/zinc/11/48/11/1019114811.db2.gz GQKZAVZYPWVKLG-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001496153299 1019114825 /nfs/dbraw/zinc/11/48/25/1019114825.db2.gz GQKZAVZYPWVKLG-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496228703 1019176966 /nfs/dbraw/zinc/17/69/66/1019176966.db2.gz BVKJKBKROVZYPJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496228703 1019176971 /nfs/dbraw/zinc/17/69/71/1019176971.db2.gz BVKJKBKROVZYPJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001496230135 1019179185 /nfs/dbraw/zinc/17/91/85/1019179185.db2.gz QXFOJMKTFJPTMP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCCC2)CCC1 ZINC001496313919 1019236428 /nfs/dbraw/zinc/23/64/28/1019236428.db2.gz ZWYNGBJXVMGYRH-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)[C@H]1CCCN1C ZINC001496369964 1019272012 /nfs/dbraw/zinc/27/20/12/1019272012.db2.gz PNLQDWAPZGQWBQ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001493287631 1019292375 /nfs/dbraw/zinc/29/23/75/1019292375.db2.gz BBCRGPRIJLLMQZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001501640432 1019346990 /nfs/dbraw/zinc/34/69/90/1019346990.db2.gz BRZNBLOEOLTFKS-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001498872254 1019492979 /nfs/dbraw/zinc/49/29/79/1019492979.db2.gz FNROQGXYVDZFQS-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501864748 1019527297 /nfs/dbraw/zinc/52/72/97/1019527297.db2.gz LMZHPDLEDYWJOM-LRPXVYOUSA-N 1 3 322.453 0.069 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501864748 1019527303 /nfs/dbraw/zinc/52/73/03/1019527303.db2.gz LMZHPDLEDYWJOM-LRPXVYOUSA-N 1 3 322.453 0.069 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493582234 1019537160 /nfs/dbraw/zinc/53/71/60/1019537160.db2.gz ADUCDQWFNQVLBJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001493582234 1019537172 /nfs/dbraw/zinc/53/71/72/1019537172.db2.gz ADUCDQWFNQVLBJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493582237 1019539181 /nfs/dbraw/zinc/53/91/81/1019539181.db2.gz ADUCDQWFNQVLBJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001493582237 1019539188 /nfs/dbraw/zinc/53/91/88/1019539188.db2.gz ADUCDQWFNQVLBJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C ZINC001496815406 1019663069 /nfs/dbraw/zinc/66/30/69/1019663069.db2.gz DGIUJTMMWFONKN-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C1CC1 ZINC000419114486 529912588 /nfs/dbraw/zinc/91/25/88/529912588.db2.gz XJVBLXVNFIIQAK-UHFFFAOYSA-N 1 3 318.421 0.184 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000288569964 291046227 /nfs/dbraw/zinc/04/62/27/291046227.db2.gz HLBCIQDYNMHQCS-ZIAGYGMSSA-N 1 3 307.394 0.686 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000343873951 291049373 /nfs/dbraw/zinc/04/93/73/291049373.db2.gz NIHNKFFBGIJCGT-SNPRPXQTSA-N 1 3 323.437 0.742 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000343873951 291049376 /nfs/dbraw/zinc/04/93/76/291049376.db2.gz NIHNKFFBGIJCGT-SNPRPXQTSA-N 1 3 323.437 0.742 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000288881783 291050308 /nfs/dbraw/zinc/05/03/08/291050308.db2.gz ZOBOWISARUAEFR-UONOGXRCSA-N 1 3 307.394 0.686 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419763518 283166763 /nfs/dbraw/zinc/16/67/63/283166763.db2.gz ODJHZVWKLNWDOH-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO COCCN(CCN(C)C)C(=O)c1csc(CC[NH3+])n1 ZINC000566250888 291289045 /nfs/dbraw/zinc/28/90/45/291289045.db2.gz HINHJKQPILPPOK-UHFFFAOYSA-N 1 3 300.428 0.295 20 0 DCADHO Cc1c(C(=O)NCCN2CC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000566296052 291291486 /nfs/dbraw/zinc/29/14/86/291291486.db2.gz MVNTVXIRESJOSJ-LBPRGKRZSA-N 1 3 320.441 0.583 20 0 DCADHO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000376532094 291306656 /nfs/dbraw/zinc/30/66/56/291306656.db2.gz QWJOTJPLWWBMHP-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000376532094 291306658 /nfs/dbraw/zinc/30/66/58/291306658.db2.gz QWJOTJPLWWBMHP-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419730841 239937200 /nfs/dbraw/zinc/93/72/00/239937200.db2.gz KFKCDZLJRVTDNA-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420125724 240017679 /nfs/dbraw/zinc/01/76/79/240017679.db2.gz QTDPXCGKMDUGIZ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CCNC[C@](C)(F)C2)CC1 ZINC000420325727 240021082 /nfs/dbraw/zinc/02/10/82/240021082.db2.gz DFPLLLBLJWMLBV-INIZCTEOSA-N 1 3 314.449 0.609 20 0 DCADHO O=S(=O)(NCCN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420332384 240021935 /nfs/dbraw/zinc/02/19/35/240021935.db2.gz JHDCRIXULHJNOL-GASCZTMLSA-N 1 3 323.462 0.896 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1CCC[C@@H](C)C1 ZINC000420068395 240013006 /nfs/dbraw/zinc/01/30/06/240013006.db2.gz USDBVTSKLQFUHU-MBNYWOFBSA-N 1 3 310.442 0.077 20 0 DCADHO CC1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C[NH2+]C1 ZINC000423385509 240198419 /nfs/dbraw/zinc/19/84/19/240198419.db2.gz QVHURRDXXQLLIK-UHFFFAOYSA-N 1 3 317.433 0.869 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCC1 ZINC000423566892 240210454 /nfs/dbraw/zinc/21/04/54/240210454.db2.gz CLGMWWIXBDGSOW-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000423580417 240215675 /nfs/dbraw/zinc/21/56/75/240215675.db2.gz RPKUDRANHZRVPX-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO C[NH+](C)CCCOC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000567232202 291343827 /nfs/dbraw/zinc/34/38/27/291343827.db2.gz IGUHERHZOOFLCJ-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000457784599 241036065 /nfs/dbraw/zinc/03/60/65/241036065.db2.gz GSQJXGXRYWADNA-LSDHHAIUSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000457784599 241036074 /nfs/dbraw/zinc/03/60/74/241036074.db2.gz GSQJXGXRYWADNA-LSDHHAIUSA-N 1 3 324.469 0.617 20 0 DCADHO C[C@H](C[C@H]1COCCN1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567638773 291366510 /nfs/dbraw/zinc/36/65/10/291366510.db2.gz BTFBOWMOVSFNHT-KGLIPLIRSA-N 1 3 305.426 0.670 20 0 DCADHO C[C@@H](NC1CC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000449521209 296113675 /nfs/dbraw/zinc/11/36/75/296113675.db2.gz RDEMHVJVLISJKI-KOLCDFICSA-N 1 3 308.348 0.079 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001646550094 1172420423 /nfs/dbraw/zinc/42/04/23/1172420423.db2.gz XINVHVDQWHFPSL-RBSFLKMASA-N 1 3 312.458 0.600 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NCCN2CCN(c3ncccn3)CC2)C1 ZINC000572662660 291581795 /nfs/dbraw/zinc/58/17/95/291581795.db2.gz REPVKVOLKJTZDO-CABCVRRESA-N 1 3 304.442 0.458 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC001646955403 1172600393 /nfs/dbraw/zinc/60/03/93/1172600393.db2.gz FRKUKXMPWZGFFY-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC001646955403 1172600396 /nfs/dbraw/zinc/60/03/96/1172600396.db2.gz FRKUKXMPWZGFFY-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000339670396 253124455 /nfs/dbraw/zinc/12/44/55/253124455.db2.gz WCRRFRCQHMOUCI-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000339672632 253124730 /nfs/dbraw/zinc/12/47/30/253124730.db2.gz RHSJJSGWLSQFFR-CYBMUJFWSA-N 1 3 322.453 0.354 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000339579044 253107460 /nfs/dbraw/zinc/10/74/60/253107460.db2.gz KVVPPGWWIPCVJB-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339634830 253118638 /nfs/dbraw/zinc/11/86/38/253118638.db2.gz HWBWAMMQROQNLE-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000339671599 253124399 /nfs/dbraw/zinc/12/43/99/253124399.db2.gz UTEIZXXUUXUAJU-DOMZBBRYSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000339965270 253171072 /nfs/dbraw/zinc/17/10/72/253171072.db2.gz KCLWMBCZAWNHIU-UHFFFAOYSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339965908 253171740 /nfs/dbraw/zinc/17/17/40/253171740.db2.gz QOHPNMKLLZHGSD-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)C[NH+]1CCCC1 ZINC000340804968 253307079 /nfs/dbraw/zinc/30/70/79/253307079.db2.gz VFSKQCHCCALKBG-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340830367 253311546 /nfs/dbraw/zinc/31/15/46/253311546.db2.gz RXTNWMXUWGILLD-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340830367 253311548 /nfs/dbraw/zinc/31/15/48/253311548.db2.gz RXTNWMXUWGILLD-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000346144720 254015462 /nfs/dbraw/zinc/01/54/62/254015462.db2.gz AVEBIHDTWDKNGB-PMPSAXMXSA-N 1 3 306.454 0.462 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000346457159 254053960 /nfs/dbraw/zinc/05/39/60/254053960.db2.gz MFJITBKQLBFCQV-RBSFLKMASA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000346457159 254053962 /nfs/dbraw/zinc/05/39/62/254053962.db2.gz MFJITBKQLBFCQV-RBSFLKMASA-N 1 3 324.469 0.195 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347027581 254123348 /nfs/dbraw/zinc/12/33/48/254123348.db2.gz IKSPVYYYSKSHOM-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347027581 254123350 /nfs/dbraw/zinc/12/33/50/254123350.db2.gz IKSPVYYYSKSHOM-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](CC(N)=O)N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347282267 254144638 /nfs/dbraw/zinc/14/46/38/254144638.db2.gz ZICYCHOZDBPVQW-DZGCQCFKSA-N 1 3 320.437 0.129 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(=O)N1 ZINC000337853926 285247743 /nfs/dbraw/zinc/24/77/43/285247743.db2.gz KNBRPMYJZODQCF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(=O)N1 ZINC000337853926 285247744 /nfs/dbraw/zinc/24/77/44/285247744.db2.gz KNBRPMYJZODQCF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc[nH]c(=O)c1 ZINC000152167705 285249356 /nfs/dbraw/zinc/24/93/56/285249356.db2.gz HMFNQUSGZOKXEU-OAHLLOKOSA-N 1 3 320.437 0.863 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc[nH]c(=O)c1 ZINC000152167705 285249357 /nfs/dbraw/zinc/24/93/57/285249357.db2.gz HMFNQUSGZOKXEU-OAHLLOKOSA-N 1 3 320.437 0.863 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417752907 262260893 /nfs/dbraw/zinc/26/08/93/262260893.db2.gz NMOYHRUGIKVUEL-KBPBESRZSA-N 1 3 300.447 0.771 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCCO[C@H](C)C2)CC[NH2+]1 ZINC000418122229 533617787 /nfs/dbraw/zinc/61/77/87/533617787.db2.gz XXEZABBDVNRKBX-KFWWJZLASA-N 1 3 312.458 0.927 20 0 DCADHO C[C@@H]1CCC[C@](CNC(=O)N2CCOC3(CNC3)C2)([NH+](C)C)C1 ZINC000333858239 296492441 /nfs/dbraw/zinc/49/24/41/296492441.db2.gz YTJCDXURLPZNQD-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO COCC[NH2+]CCNC(=O)c1ccccc1OCCN(C)C ZINC000270998117 395829825 /nfs/dbraw/zinc/82/98/25/395829825.db2.gz BLLGKZWOKXDVSX-UHFFFAOYSA-N 1 3 309.410 0.593 20 0 DCADHO COCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761566 395854489 /nfs/dbraw/zinc/85/44/89/395854489.db2.gz WVUBRTXOVAQDFY-UHFFFAOYSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236722354 395897016 /nfs/dbraw/zinc/89/70/16/395897016.db2.gz IOFSURQFLIIWAV-IHRRRGAJSA-N 1 3 310.442 0.077 20 0 DCADHO COCCNCC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000237171543 395905105 /nfs/dbraw/zinc/90/51/05/395905105.db2.gz ICCZGKZKKISXLF-UHFFFAOYSA-N 1 3 301.431 0.228 20 0 DCADHO C[C@@H](CC(=O)NCCCN1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237425431 395912605 /nfs/dbraw/zinc/91/26/05/395912605.db2.gz WMSQSMCULIJWFS-JKSUJKDBSA-N 1 3 310.486 0.766 20 0 DCADHO C[NH2+][C@@H](C)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000261846164 396071847 /nfs/dbraw/zinc/07/18/47/396071847.db2.gz WVOBIXBVFJRLDB-HNNXBMFYSA-N 1 3 304.438 0.923 20 0 DCADHO COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000261698799 396057937 /nfs/dbraw/zinc/05/79/37/396057937.db2.gz JVHLVYHSCSCARL-AWEZNQCLSA-N 1 3 321.421 0.991 20 0 DCADHO CCOC(=O)CNC(=O)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261783988 396065693 /nfs/dbraw/zinc/06/56/93/396065693.db2.gz FRDIBEZPGSGQFR-CYBMUJFWSA-N 1 3 311.426 0.377 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261797226 396066832 /nfs/dbraw/zinc/06/68/32/396066832.db2.gz IRSLEPCHUQCWPM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261803019 396067980 /nfs/dbraw/zinc/06/79/80/396067980.db2.gz UWPNHPVKFJIVLQ-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCN(Cc2ccccc2CNC(=O)CC[NH3+])CC1 ZINC000262094456 396098385 /nfs/dbraw/zinc/09/83/85/396098385.db2.gz DFYJPCVDGLJQQK-UHFFFAOYSA-N 1 3 304.438 0.789 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262436284 396139618 /nfs/dbraw/zinc/13/96/18/396139618.db2.gz CGGGKQIOKWLZBJ-XHSDSOJGSA-N 1 3 303.406 0.490 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1=O ZINC000073290353 396143850 /nfs/dbraw/zinc/14/38/50/396143850.db2.gz ZBNZKCFKCKIOGN-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](C(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[C@H](C)[NH3+] ZINC000262503119 396148547 /nfs/dbraw/zinc/14/85/47/396148547.db2.gz ALKZBOIFFUNRLQ-OLZOCXBDSA-N 1 3 320.437 0.578 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000262663154 396170237 /nfs/dbraw/zinc/17/02/37/396170237.db2.gz ZWKPNHUNHJDJSW-NVXWUHKLSA-N 1 3 318.465 0.699 20 0 DCADHO COCCN(C)CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262774183 396180931 /nfs/dbraw/zinc/18/09/31/396180931.db2.gz MSGODRCLPRYRJG-CYBMUJFWSA-N 1 3 309.414 0.116 20 0 DCADHO CN(C)CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000263908029 396242157 /nfs/dbraw/zinc/24/21/57/396242157.db2.gz SVXQQPKUYVFOCY-UHFFFAOYSA-N 1 3 305.426 0.272 20 0 DCADHO CN1CCC(O)(CNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000077752600 396230622 /nfs/dbraw/zinc/23/06/22/396230622.db2.gz QDHZZFOOYXCTKM-UHFFFAOYSA-N 1 3 312.458 0.617 20 0 DCADHO CC[NH+](CC)CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185037808 396315280 /nfs/dbraw/zinc/31/52/80/396315280.db2.gz BSBOLINOIRLRNW-OAHLLOKOSA-N 1 3 313.490 0.653 20 0 DCADHO C[C@H](NCCN1C(=O)CNC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666702 396332316 /nfs/dbraw/zinc/33/23/16/396332316.db2.gz PGMGRNULJWHMAM-QWHCGFSZSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@H](NCCN1C(=O)CNC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666702 396332318 /nfs/dbraw/zinc/33/23/18/396332318.db2.gz PGMGRNULJWHMAM-QWHCGFSZSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@H]([NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185666702 396332320 /nfs/dbraw/zinc/33/23/20/396332320.db2.gz PGMGRNULJWHMAM-QWHCGFSZSA-N 1 3 308.426 0.781 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[NH+](C)C ZINC000269482664 396417813 /nfs/dbraw/zinc/41/78/13/396417813.db2.gz BDAOZSWITBYROL-IAGOWNOFSA-N 1 3 319.449 0.862 20 0 DCADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000268887425 396376065 /nfs/dbraw/zinc/37/60/65/396376065.db2.gz ZGLHKVQJFMWEMK-XJKSGUPXSA-N 1 3 316.409 0.770 20 0 DCADHO CN1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](CN)C1 ZINC000580172556 396491231 /nfs/dbraw/zinc/49/12/31/396491231.db2.gz DZAONTRVZKWHIW-AWEZNQCLSA-N 1 3 311.474 0.393 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000581946404 396596079 /nfs/dbraw/zinc/59/60/79/396596079.db2.gz LSDUKCVYOCFZAH-ZDUSSCGKSA-N 1 3 303.410 0.914 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCCO2 ZINC000562299772 396656720 /nfs/dbraw/zinc/65/67/20/396656720.db2.gz MMFGCNFNXVSCHS-UHFFFAOYSA-N 1 3 309.414 0.231 20 0 DCADHO Cc1cnc(COCC(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000560485271 396616924 /nfs/dbraw/zinc/61/69/24/396616924.db2.gz OPUPIZIRUFXGLX-UHFFFAOYSA-N 1 3 312.414 0.451 20 0 DCADHO COC(=O)CCN1CC[C@H](N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000595889694 396676548 /nfs/dbraw/zinc/67/65/48/396676548.db2.gz VLOMIWVBLQBHQY-DGAVXFQQSA-N 1 3 309.410 0.210 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000634251354 396819958 /nfs/dbraw/zinc/81/99/58/396819958.db2.gz IZUVMJRJMBFIBA-AJNGGQMLSA-N 1 3 324.469 0.479 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000564270092 396820894 /nfs/dbraw/zinc/82/08/94/396820894.db2.gz WFMMRQSJENHFBR-MRXNPFEDSA-N 1 3 312.458 0.474 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc2ccnn21 ZINC000625290673 396831415 /nfs/dbraw/zinc/83/14/15/396831415.db2.gz UQBOAJMYIHENOO-UHFFFAOYSA-N 1 3 304.398 0.295 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000629792744 396835617 /nfs/dbraw/zinc/83/56/17/396835617.db2.gz ZUDAYVPKGAXNHR-CQSZACIVSA-N 1 3 310.442 0.271 20 0 DCADHO CN1CCN(CC2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)CC1 ZINC000564802467 396872733 /nfs/dbraw/zinc/87/27/33/396872733.db2.gz GSYKZOLLRRSDPQ-UHFFFAOYSA-N 1 3 322.497 0.992 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CN1C1CC1 ZINC000333157796 396919772 /nfs/dbraw/zinc/91/97/72/396919772.db2.gz FZMAEXCWPJIHNV-YCPHGPKFSA-N 1 3 321.469 0.301 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000376720914 396968159 /nfs/dbraw/zinc/96/81/59/396968159.db2.gz OILLYBFFZKTBRR-ZBFHGGJFSA-N 1 3 313.442 0.230 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000571980593 397007517 /nfs/dbraw/zinc/00/75/17/397007517.db2.gz UKEIYYZLQNPKHZ-JKSUJKDBSA-N 1 3 301.475 0.732 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000571980593 397007523 /nfs/dbraw/zinc/00/75/23/397007523.db2.gz UKEIYYZLQNPKHZ-JKSUJKDBSA-N 1 3 301.475 0.732 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000572136536 397027327 /nfs/dbraw/zinc/02/73/27/397027327.db2.gz CLGHBUWQGBPTAU-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377577725 397106101 /nfs/dbraw/zinc/10/61/01/397106101.db2.gz WBRZUENQQZWMRE-NUEKZKHPSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377577725 397106106 /nfs/dbraw/zinc/10/61/06/397106106.db2.gz WBRZUENQQZWMRE-NUEKZKHPSA-N 1 3 322.453 0.633 20 0 DCADHO CN(C)CCn1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cn1 ZINC000630875911 397126164 /nfs/dbraw/zinc/12/61/64/397126164.db2.gz XBUCYURIFKSRST-UHFFFAOYSA-N 1 3 319.413 0.455 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C1=CCN(C)CC1 ZINC000573167682 397139889 /nfs/dbraw/zinc/13/98/89/397139889.db2.gz UJQBRWXCKJQGQX-CYBMUJFWSA-N 1 3 310.442 0.163 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612969299 397166136 /nfs/dbraw/zinc/16/61/36/397166136.db2.gz DUDHAWNSGNROFE-CQSZACIVSA-N 1 3 310.442 0.539 20 0 DCADHO COC(=O)CCNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492135 397191324 /nfs/dbraw/zinc/19/13/24/397191324.db2.gz QXKPURFNROBAPT-UONOGXRCSA-N 1 3 311.426 0.377 20 0 DCADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493015 397193416 /nfs/dbraw/zinc/19/34/16/397193416.db2.gz LYQYKLQRBVEEBE-BFHYXJOUSA-N 1 3 310.442 0.932 20 0 DCADHO Cc1ccccc1[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000573799471 397206588 /nfs/dbraw/zinc/20/65/88/397206588.db2.gz STTHLTDJVCBIPP-RHSMWYFYSA-N 1 3 318.465 0.995 20 0 DCADHO Cc1ccccc1[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000573799470 397207082 /nfs/dbraw/zinc/20/70/82/397207082.db2.gz STTHLTDJVCBIPP-PBHICJAKSA-N 1 3 318.465 0.995 20 0 DCADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000573821434 397209972 /nfs/dbraw/zinc/20/99/72/397209972.db2.gz HKYZITGTXQLBND-XHSDSOJGSA-N 1 3 323.485 0.263 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000574463761 397271703 /nfs/dbraw/zinc/27/17/03/397271703.db2.gz UZMVACPKXKSUAF-WBVHZDCISA-N 1 3 305.422 0.428 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000574463761 397271704 /nfs/dbraw/zinc/27/17/04/397271704.db2.gz UZMVACPKXKSUAF-WBVHZDCISA-N 1 3 305.422 0.428 20 0 DCADHO CS(=O)(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000400134071 397315772 /nfs/dbraw/zinc/31/57/72/397315772.db2.gz HJLFQHSMFDIKCI-CQSZACIVSA-N 1 3 324.450 0.674 20 0 DCADHO O[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)Cn1cccn1 ZINC000574567220 397279093 /nfs/dbraw/zinc/27/90/93/397279093.db2.gz YAIGNUSKUSCWHX-BRWVUGGUSA-N 1 3 322.453 0.602 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000574771287 397299182 /nfs/dbraw/zinc/29/91/82/397299182.db2.gz RNYVATPQYPABKT-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO COCCN(C)CCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958612 397303618 /nfs/dbraw/zinc/30/36/18/397303618.db2.gz DVFZGLMLOFLZTF-LBPRGKRZSA-N 1 3 309.414 0.027 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000417861532 397374638 /nfs/dbraw/zinc/37/46/38/397374638.db2.gz ZLZAXXYYLMHADL-RJZRQDKASA-N 1 3 310.442 0.759 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])N(C)Cc1ccccc1 ZINC000418961309 397377200 /nfs/dbraw/zinc/37/72/00/397377200.db2.gz JODHHGJPMFEQRK-UONOGXRCSA-N 1 3 320.437 0.477 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419034474 397378622 /nfs/dbraw/zinc/37/86/22/397378622.db2.gz ZRGHUSDIRQPEPL-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000578360450 397428246 /nfs/dbraw/zinc/42/82/46/397428246.db2.gz KORBYOLQNLXWOW-HNNXBMFYSA-N 1 3 310.442 0.077 20 0 DCADHO CCS(=O)(=O)N1CC(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000578518706 397446607 /nfs/dbraw/zinc/44/66/07/397446607.db2.gz ASIOOKQCMGMEJX-QLFBSQMISA-N 1 3 315.483 0.778 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000423529093 397395205 /nfs/dbraw/zinc/39/52/05/397395205.db2.gz VGOHOMFQSGZGSL-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000621653406 397410001 /nfs/dbraw/zinc/41/00/01/397410001.db2.gz XOZYYYOPTVBEAY-HZPDHXFCSA-N 1 3 310.486 0.766 20 0 DCADHO C[S@](=O)C1(C(=O)NCCCN2CCCC2)CC[NH2+]CC1 ZINC000602467101 397410848 /nfs/dbraw/zinc/41/08/48/397410848.db2.gz JWXLCVUAEZPAMW-FQEVSTJZSA-N 1 3 301.456 0.089 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000578323855 397420127 /nfs/dbraw/zinc/42/01/27/397420127.db2.gz ZAJSZEDIHHIWAO-SOUVJXGZSA-N 1 3 324.469 0.705 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CCN(C)[C@H](C(C)C)C2)CC1 ZINC000488003261 397484286 /nfs/dbraw/zinc/48/42/86/397484286.db2.gz RFEXEQSXEJIUBR-INIZCTEOSA-N 1 3 310.486 0.859 20 0 DCADHO C[NH+](C)C/C=C\C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000491905769 397506908 /nfs/dbraw/zinc/50/69/08/397506908.db2.gz FNHNGKUXCKORIZ-KKMIYCERSA-N 1 3 317.433 0.857 20 0 DCADHO NC[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C(F)(F)F ZINC000594450823 397553881 /nfs/dbraw/zinc/55/38/81/397553881.db2.gz BEYMFFASYKGXEE-CBAPKCEASA-N 1 3 305.304 0.339 20 0 DCADHO CCOCC[C@@H](O)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000579701449 397589027 /nfs/dbraw/zinc/58/90/27/397589027.db2.gz FVNGSFWUGPYQDP-GDBMZVCRSA-N 1 3 300.443 0.864 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCn1cccn1 ZINC000607229924 397699490 /nfs/dbraw/zinc/69/94/90/397699490.db2.gz WVPQXMPWGHTCCA-UHFFFAOYSA-N 1 3 310.446 0.408 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H](C)C1 ZINC000249404795 286064296 /nfs/dbraw/zinc/06/42/96/286064296.db2.gz CVMSATWKLPDRLB-XQQFMLRXSA-N 1 3 314.430 0.296 20 0 DCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000089145791 158095610 /nfs/dbraw/zinc/09/56/10/158095610.db2.gz WUXGAYQKKXNXRO-ZFWWWQNUSA-N 1 3 311.451 0.984 20 0 DCADHO CC[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000120732910 158201950 /nfs/dbraw/zinc/20/19/50/158201950.db2.gz VXOAHKVXEHIBOS-HNNXBMFYSA-N 1 3 313.490 0.509 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000134007154 158322703 /nfs/dbraw/zinc/32/27/03/158322703.db2.gz PBXYLDVLNXHKEM-ZIAGYGMSSA-N 1 3 314.499 0.224 20 0 DCADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CSCN2)CC1 ZINC000165972217 158365639 /nfs/dbraw/zinc/36/56/39/158365639.db2.gz PTJWNENOCVOBEM-CYBMUJFWSA-N 1 3 300.472 0.039 20 0 DCADHO CCCN(C)CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000359281242 159261309 /nfs/dbraw/zinc/26/13/09/159261309.db2.gz XAGQYZKYKFITEJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000359281242 159261312 /nfs/dbraw/zinc/26/13/12/159261312.db2.gz XAGQYZKYKFITEJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN(C)C)[C@H](C)C1 ZINC000133694851 287012478 /nfs/dbraw/zinc/01/24/78/287012478.db2.gz ADPOXNWGMLIWFC-CABCVRRESA-N 1 3 314.474 0.984 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN(C)C)[C@H](C)C1 ZINC000133694851 287012479 /nfs/dbraw/zinc/01/24/79/287012479.db2.gz ADPOXNWGMLIWFC-CABCVRRESA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188762693 287086063 /nfs/dbraw/zinc/08/60/63/287086063.db2.gz SZGNGGMFOKONNK-KWCYVHTRSA-N 1 3 301.406 0.238 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000303999438 287142395 /nfs/dbraw/zinc/14/23/95/287142395.db2.gz QLAJLCWGTANJDI-HOTGVXAUSA-N 1 3 300.443 0.959 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000340217230 287148918 /nfs/dbraw/zinc/14/89/18/287148918.db2.gz DLLYPFBPTLVMOO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000340217230 287148921 /nfs/dbraw/zinc/14/89/21/287148921.db2.gz DLLYPFBPTLVMOO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc2ccccn2c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347062590 287160003 /nfs/dbraw/zinc/16/00/03/287160003.db2.gz ZNOGXFCTOVARCL-CQSZACIVSA-N 1 3 315.421 0.930 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418348006 287245189 /nfs/dbraw/zinc/24/51/89/287245189.db2.gz WGMVUTSQJMDOPT-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418378236 287246487 /nfs/dbraw/zinc/24/64/87/287246487.db2.gz AGXFUPKVYIRDCT-UONOGXRCSA-N 1 3 300.447 0.362 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418400603 287248628 /nfs/dbraw/zinc/24/86/28/287248628.db2.gz FXMDNKDSWPDTCX-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])N(C)Cc1ccccc1 ZINC000418944458 287255680 /nfs/dbraw/zinc/25/56/80/287255680.db2.gz JXIOJVAPEBBTKC-QWHCGFSZSA-N 1 3 306.410 0.087 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419023033 287262399 /nfs/dbraw/zinc/26/23/99/287262399.db2.gz IXKSTIVQNQQUNE-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000332151232 415267028 /nfs/dbraw/zinc/26/70/28/415267028.db2.gz NBXYREQUPIKIEY-QLFBSQMISA-N 1 3 322.453 0.138 20 0 DCADHO NC(=O)CNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422892834 287301943 /nfs/dbraw/zinc/30/19/43/287301943.db2.gz NXSKXNWODQZFAK-CABCVRRESA-N 1 3 318.421 0.651 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000422905861 287302961 /nfs/dbraw/zinc/30/29/61/287302961.db2.gz ZOXQMYPIDNUPCP-SGMGOOAPSA-N 1 3 308.378 0.872 20 0 DCADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN1C ZINC000332289390 415334031 /nfs/dbraw/zinc/33/40/31/415334031.db2.gz HCGLCQZDTDQSCO-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C ZINC000332289390 415334037 /nfs/dbraw/zinc/33/40/37/415334037.db2.gz HCGLCQZDTDQSCO-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000352833747 415342340 /nfs/dbraw/zinc/34/23/40/415342340.db2.gz ZFZNGFMCSCQRCG-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000332335487 415349004 /nfs/dbraw/zinc/34/90/04/415349004.db2.gz RQJYSSRGSIXPBJ-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423356702 287304981 /nfs/dbraw/zinc/30/49/81/287304981.db2.gz HESRANOSRIRREQ-ZIAGYGMSSA-N 1 3 322.457 0.867 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C[C@H]1C[NH3+] ZINC000332589117 415422449 /nfs/dbraw/zinc/42/24/49/415422449.db2.gz FNFYWOKKJZHHDM-TUVASFSCSA-N 1 3 322.453 0.125 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000332352001 415359300 /nfs/dbraw/zinc/35/93/00/415359300.db2.gz VLMDARGMXWIWHE-HUUCEWRRSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)CN1CCN(C)CC1 ZINC000343246670 415516064 /nfs/dbraw/zinc/51/60/64/415516064.db2.gz DYFNGGDTJAGXBO-XDNAFOTISA-N 1 3 324.513 0.617 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332978291 415518739 /nfs/dbraw/zinc/51/87/39/415518739.db2.gz JEJNORYNKATOMG-OWCLPIDISA-N 1 3 324.469 0.758 20 0 DCADHO CC[C@H](CNC(=O)[C@H](C[NH3+])OC)N1CCc2ccccc2C1 ZINC000353424302 415537255 /nfs/dbraw/zinc/53/72/55/415537255.db2.gz FPDONPWSMPNTPK-CVEARBPZSA-N 1 3 305.422 0.913 20 0 DCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000333134271 415565348 /nfs/dbraw/zinc/56/53/48/415565348.db2.gz KBAKBNLZVQZEGB-BZUAXINKSA-N 1 3 308.470 0.742 20 0 DCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000333134271 415565354 /nfs/dbraw/zinc/56/53/54/415565354.db2.gz KBAKBNLZVQZEGB-BZUAXINKSA-N 1 3 308.470 0.742 20 0 DCADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353669524 415619596 /nfs/dbraw/zinc/61/95/96/415619596.db2.gz UXFSCZLRPZFQLZ-DOMZBBRYSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000333414802 415640832 /nfs/dbraw/zinc/64/08/32/415640832.db2.gz RSIOXKQDIZRKMI-XFMPKHEZSA-N 1 3 312.483 0.802 20 0 DCADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000353770988 415654149 /nfs/dbraw/zinc/65/41/49/415654149.db2.gz VTJYTRXVUUEMCV-ZFWWWQNUSA-N 1 3 307.438 0.970 20 0 DCADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000353770988 415654155 /nfs/dbraw/zinc/65/41/55/415654155.db2.gz VTJYTRXVUUEMCV-ZFWWWQNUSA-N 1 3 307.438 0.970 20 0 DCADHO C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)CN1CCN(C)CC1 ZINC000343686822 415684208 /nfs/dbraw/zinc/68/42/08/415684208.db2.gz FCMGTYVLHDIWNK-OAHLLOKOSA-N 1 3 323.485 0.431 20 0 DCADHO C[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)CN1CCN(C)CC1 ZINC000343686822 415684213 /nfs/dbraw/zinc/68/42/13/415684213.db2.gz FCMGTYVLHDIWNK-OAHLLOKOSA-N 1 3 323.485 0.431 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1C ZINC000333560729 415684948 /nfs/dbraw/zinc/68/49/48/415684948.db2.gz KWULIRLBCKFDPG-UQOMUDLDSA-N 1 3 320.441 0.339 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCNC2=O)[C@H](C)C1 ZINC000343689133 415686126 /nfs/dbraw/zinc/68/61/26/415686126.db2.gz LLNCNUNZOFXBHD-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCNC2=O)[C@H](C)C1 ZINC000343689133 415686134 /nfs/dbraw/zinc/68/61/34/415686134.db2.gz LLNCNUNZOFXBHD-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H](CNC(=O)N1CCOC2(CNC2)C1)C[NH+]1CCCCC1 ZINC000333747132 415727009 /nfs/dbraw/zinc/72/70/09/415727009.db2.gz JNRWBEVOFMQPOC-CQSZACIVSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333763737 415733666 /nfs/dbraw/zinc/73/36/66/415733666.db2.gz AVRMATUXQHTJGX-KBPBESRZSA-N 1 3 310.442 0.633 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000333648000 415704261 /nfs/dbraw/zinc/70/42/61/415704261.db2.gz JIOACZMDPFJTRR-OAHLLOKOSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000333934086 415767988 /nfs/dbraw/zinc/76/79/88/415767988.db2.gz IGAYOMQYYIIUDL-KBPBESRZSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000333934086 415767995 /nfs/dbraw/zinc/76/79/95/415767995.db2.gz IGAYOMQYYIIUDL-KBPBESRZSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[NH2+]1 ZINC000333861561 415751978 /nfs/dbraw/zinc/75/19/78/415751978.db2.gz SFTMZPQBPGGVMR-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C[C@H](O)C[NH+]1CCC(CN2CCOCC2)CC1)C1CC1 ZINC000336864554 415846649 /nfs/dbraw/zinc/84/66/49/415846649.db2.gz HEQMKXHDJUIOTG-KRWDZBQOSA-N 1 3 311.470 0.486 20 0 DCADHO CSCC[C@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000133147808 415941003 /nfs/dbraw/zinc/94/10/03/415941003.db2.gz UAWVXOCIBRGRIM-JSGCOSHPSA-N 1 3 317.499 0.618 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000338082921 416041816 /nfs/dbraw/zinc/04/18/16/416041816.db2.gz OIJIFZNYRDVHEC-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000338082921 416041820 /nfs/dbraw/zinc/04/18/20/416041820.db2.gz OIJIFZNYRDVHEC-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357358840 416067239 /nfs/dbraw/zinc/06/72/39/416067239.db2.gz AZKDOCLWSMISRO-OAHLLOKOSA-N 1 3 312.458 0.454 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000168376477 416024532 /nfs/dbraw/zinc/02/45/32/416024532.db2.gz GATJWLSMUYWKOE-OAHLLOKOSA-N 1 3 318.421 0.346 20 0 DCADHO C[NH2+]CC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000168094964 416024570 /nfs/dbraw/zinc/02/45/70/416024570.db2.gz HRAWGALNUKTHKM-INIZCTEOSA-N 1 3 305.422 0.768 20 0 DCADHO CNCC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168094964 416024573 /nfs/dbraw/zinc/02/45/73/416024573.db2.gz HRAWGALNUKTHKM-INIZCTEOSA-N 1 3 305.422 0.768 20 0 DCADHO O=C(NCCCCC[NH+]1CCCC1)[C@H]1CN2CCN1CCC2 ZINC000357075439 416029950 /nfs/dbraw/zinc/02/99/50/416029950.db2.gz FPMXKTLGVIEDRR-MRXNPFEDSA-N 1 3 308.470 0.759 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357089401 416032873 /nfs/dbraw/zinc/03/28/73/416032873.db2.gz PNSOVICRZNJZIY-AWEZNQCLSA-N 1 3 303.472 0.589 20 0 DCADHO COC1(C)CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000345350845 416082368 /nfs/dbraw/zinc/08/23/68/416082368.db2.gz GDNDUYDZJHBQCD-UHFFFAOYSA-N 1 3 324.469 0.975 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCc2cn[nH]c2)C1)[C@H]1CCC[NH2+]1 ZINC000319352523 416119292 /nfs/dbraw/zinc/11/92/92/416119292.db2.gz QXPCEIKKBDRTNH-LSDHHAIUSA-N 1 3 305.426 0.532 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357802137 416133449 /nfs/dbraw/zinc/13/34/49/416133449.db2.gz HECIVOVZRBDNEM-PBHICJAKSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CCC[C@@H]1[NH3+] ZINC000340123422 416177803 /nfs/dbraw/zinc/17/78/03/416177803.db2.gz QRSXRUARRNEGBO-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]C[C@]2(O)CCN(C)C2)[C@@H](C)C1 ZINC000358227363 416214832 /nfs/dbraw/zinc/21/48/32/416214832.db2.gz DWDPWLJVGMXRDU-YESZJQIVSA-N 1 3 313.486 0.780 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN(CC)CC)C1 ZINC000339576074 416160334 /nfs/dbraw/zinc/16/03/34/416160334.db2.gz CNIAHDABDVCAJL-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN(CC)CC)C1 ZINC000339576074 416160337 /nfs/dbraw/zinc/16/03/37/416160337.db2.gz CNIAHDABDVCAJL-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000358531389 416251416 /nfs/dbraw/zinc/25/14/16/416251416.db2.gz SINPXLZWKPGCEO-UONOGXRCSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)N(C)C1CC1 ZINC000341984127 416262123 /nfs/dbraw/zinc/26/21/23/416262123.db2.gz KVHLBOUJEDZPCI-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000359260992 416317994 /nfs/dbraw/zinc/31/79/94/416317994.db2.gz JDHQHPLXCMHFNM-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000359260992 416317999 /nfs/dbraw/zinc/31/79/99/416317999.db2.gz JDHQHPLXCMHFNM-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342070376 416279949 /nfs/dbraw/zinc/27/99/49/416279949.db2.gz ZSURBHAFHOWNIJ-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342070376 416279952 /nfs/dbraw/zinc/27/99/52/416279952.db2.gz ZSURBHAFHOWNIJ-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358850803 416284238 /nfs/dbraw/zinc/28/42/38/416284238.db2.gz DNPAAKXYADECPO-MRXNPFEDSA-N 1 3 322.428 0.622 20 0 DCADHO [NH3+]C[C@H](C(=O)NCCCN1CCC(O)CC1)c1ccc(F)cc1 ZINC000358855073 416285064 /nfs/dbraw/zinc/28/50/64/416285064.db2.gz ICNNOIYNTRWVME-INIZCTEOSA-N 1 3 323.412 0.831 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261772766 416335595 /nfs/dbraw/zinc/33/55/95/416335595.db2.gz GWQQDXLGEBAAJQ-LLVKDONJSA-N 1 3 310.364 0.279 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415469142 416344913 /nfs/dbraw/zinc/34/49/13/416344913.db2.gz WZBJBECANTZDGD-CQSZACIVSA-N 1 3 306.410 0.786 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415787751 416353670 /nfs/dbraw/zinc/35/36/70/416353670.db2.gz NJIGACUFGPNWFS-ZDUSSCGKSA-N 1 3 306.410 0.849 20 0 DCADHO COC1(C[NH2+]CCCCN2CCN(CCO)CC2)CCCC1 ZINC000359714453 416354804 /nfs/dbraw/zinc/35/48/04/416354804.db2.gz KATJPGKYCLDADO-UHFFFAOYSA-N 1 3 313.486 0.925 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237018165 416328168 /nfs/dbraw/zinc/32/81/68/416328168.db2.gz ONSLBUVDBCIFLG-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000419847165 416414421 /nfs/dbraw/zinc/41/44/21/416414421.db2.gz ICINENNQIOVUNY-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419917715 416415166 /nfs/dbraw/zinc/41/51/66/416415166.db2.gz SIHGRQZFUDVTHP-LSDHHAIUSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419985632 416416497 /nfs/dbraw/zinc/41/64/97/416416497.db2.gz WAMKKQXRNUQJCL-AWEZNQCLSA-N 1 3 324.425 0.269 20 0 DCADHO CC1CCN(CCNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417008060 416380899 /nfs/dbraw/zinc/38/08/99/416380899.db2.gz ICNRSLLETOSHJM-UHFFFAOYSA-N 1 3 311.474 0.313 20 0 DCADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418706337 416389097 /nfs/dbraw/zinc/38/90/97/416389097.db2.gz OQGFJPJYOBPIMI-KBPBESRZSA-N 1 3 300.447 0.866 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418987917 416395208 /nfs/dbraw/zinc/39/52/08/416395208.db2.gz HVGGNVUCDPUUAN-ZDUSSCGKSA-N 1 3 320.437 0.336 20 0 DCADHO CN(CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)C1CC1 ZINC000419111284 416396989 /nfs/dbraw/zinc/39/69/89/416396989.db2.gz UDNSAADWGBDZGA-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1CCC(C)CC1 ZINC000419142976 416397256 /nfs/dbraw/zinc/39/72/56/416397256.db2.gz DDOZYXIABPIYLO-JSGCOSHPSA-N 1 3 310.442 0.077 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419292122 416398708 /nfs/dbraw/zinc/39/87/08/416398708.db2.gz XRTKVDGUAGKTQJ-SOUVJXGZSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419416015 416401423 /nfs/dbraw/zinc/40/14/23/416401423.db2.gz VQQIFTGGYMTOIO-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419528042 416403465 /nfs/dbraw/zinc/40/34/65/416403465.db2.gz VVHMXGFDLZJZIW-ZQDZILKHSA-N 1 3 324.469 0.419 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419767295 416409473 /nfs/dbraw/zinc/40/94/73/416409473.db2.gz SOXIDCFUURPMON-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419782138 416410607 /nfs/dbraw/zinc/41/06/07/416410607.db2.gz UDCNUYJYXKLSPQ-AWEZNQCLSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C1CC[NH2+]CC1 ZINC000419780366 416410806 /nfs/dbraw/zinc/41/08/06/416410806.db2.gz QUSJNOWHHCRMCN-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419783126 416410974 /nfs/dbraw/zinc/41/09/74/416410974.db2.gz UVZZURMZISSWOU-RDBSUJKOSA-N 1 3 324.469 0.419 20 0 DCADHO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccnc(CN)c2)CC1 ZINC000361626565 416464628 /nfs/dbraw/zinc/46/46/28/416464628.db2.gz IXFHYXWFCSNXNO-ZDUSSCGKSA-N 1 3 305.426 0.296 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000423214322 416477622 /nfs/dbraw/zinc/47/76/22/416477622.db2.gz LFFNLLKZBXJZQM-CQSZACIVSA-N 1 3 322.453 0.413 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CN1C1CC1 ZINC000458532560 416478356 /nfs/dbraw/zinc/47/83/56/416478356.db2.gz WTSSEXOZTROUEF-YCPHGPKFSA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CN1C1CC1 ZINC000458532560 416478362 /nfs/dbraw/zinc/47/83/62/416478362.db2.gz WTSSEXOZTROUEF-YCPHGPKFSA-N 1 3 324.469 0.758 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000361111812 416421659 /nfs/dbraw/zinc/42/16/59/416421659.db2.gz SJKZNXWIWOZGMT-HOTGVXAUSA-N 1 3 308.470 0.518 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)N(C)C1CC1 ZINC000422308916 416425887 /nfs/dbraw/zinc/42/58/87/416425887.db2.gz RNBVAHWOQFLCES-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)N(C)C1CC1 ZINC000422308916 416425888 /nfs/dbraw/zinc/42/58/88/416425888.db2.gz RNBVAHWOQFLCES-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CN(C2CC[NH+](CCN3CCCOCC3)CC2)CCO1 ZINC000361301507 416428583 /nfs/dbraw/zinc/42/85/83/416428583.db2.gz XADMLRHEMFTSOC-INIZCTEOSA-N 1 3 311.470 0.894 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422487416 416433986 /nfs/dbraw/zinc/43/39/86/416433986.db2.gz IGECGARIPDOZHC-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422487416 416433988 /nfs/dbraw/zinc/43/39/88/416433988.db2.gz IGECGARIPDOZHC-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423602913 416524541 /nfs/dbraw/zinc/52/45/41/416524541.db2.gz DEMYKQNVGBTGSL-CYBMUJFWSA-N 1 3 324.450 0.198 20 0 DCADHO CCCN(C(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000423669463 416536164 /nfs/dbraw/zinc/53/61/64/416536164.db2.gz YCCOWOXPSGETLG-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000537569697 416557268 /nfs/dbraw/zinc/55/72/68/416557268.db2.gz PYHXHQHEGOZYGF-AWEZNQCLSA-N 1 3 311.426 0.329 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000537569697 416557272 /nfs/dbraw/zinc/55/72/72/416557272.db2.gz PYHXHQHEGOZYGF-AWEZNQCLSA-N 1 3 311.426 0.329 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423366317 416497933 /nfs/dbraw/zinc/49/79/33/416497933.db2.gz CKNZSTBTEVBTQW-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423394821 416503653 /nfs/dbraw/zinc/50/36/53/416503653.db2.gz SLUPHXAZCSMDCK-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000423427742 416509147 /nfs/dbraw/zinc/50/91/47/416509147.db2.gz JOYHENYXJHKWDV-LSDHHAIUSA-N 1 3 310.486 0.764 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423437175 416511595 /nfs/dbraw/zinc/51/15/95/416511595.db2.gz TWFIBKVPAVLYRJ-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423764455 416564611 /nfs/dbraw/zinc/56/46/11/416564611.db2.gz XNLCYMQLLHWGMN-WBVHZDCISA-N 1 3 310.486 0.990 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000441671124 416679147 /nfs/dbraw/zinc/67/91/47/416679147.db2.gz SLQXZLMUTSWCRK-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CCC(C)(C)N[C@H](C)C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000547618805 416680046 /nfs/dbraw/zinc/68/00/46/416680046.db2.gz IEOKYGTYUOGJMT-LLVKDONJSA-N 1 3 320.441 1.539 20 0 DCADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424152442 416618017 /nfs/dbraw/zinc/61/80/17/416618017.db2.gz JOPOPKHLMGUFAX-SJORKVTESA-N 1 3 316.449 0.788 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424156404 416620635 /nfs/dbraw/zinc/62/06/35/416620635.db2.gz PEQDLSHMUSTGIS-BNOWGMLFSA-N 1 3 318.425 0.415 20 0 DCADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(S(N)(=O)=O)cc1 ZINC000424338089 416636207 /nfs/dbraw/zinc/63/62/07/416636207.db2.gz SVTPLTHQTWGTGZ-ZIAGYGMSSA-N 1 3 313.423 0.572 20 0 DCADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000543180006 416636598 /nfs/dbraw/zinc/63/65/98/416636598.db2.gz CZPVOLOZAXPEPO-RCBQFDQVSA-N 1 3 307.438 0.432 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000544325228 416654098 /nfs/dbraw/zinc/65/40/98/416654098.db2.gz JHQUTMQYMAIVKV-MRXNPFEDSA-N 1 3 312.458 0.387 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000514747796 416675547 /nfs/dbraw/zinc/67/55/47/416675547.db2.gz UNNOUHUUXSZCTM-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCNCc1ccn(Cc2cn(CC3CC[NH2+]CC3)nn2)n1 ZINC000641233252 416746252 /nfs/dbraw/zinc/74/62/52/416746252.db2.gz QWEUACXTDMOYQD-UHFFFAOYSA-N 1 3 303.414 0.632 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000368922785 416708115 /nfs/dbraw/zinc/70/81/15/416708115.db2.gz NANQETBJBRYNSM-INIZCTEOSA-N 1 3 308.470 0.711 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000516571272 416727877 /nfs/dbraw/zinc/72/78/77/416727877.db2.gz QBPJBLZQIVPJOM-OLZOCXBDSA-N 1 3 320.437 0.606 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000443057324 416730085 /nfs/dbraw/zinc/73/00/85/416730085.db2.gz GGUDTVDBOVUPAO-ZDUSSCGKSA-N 1 3 308.426 0.912 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000516939321 416760430 /nfs/dbraw/zinc/76/04/30/416760430.db2.gz UPRWVWQENODENU-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426710611 416782183 /nfs/dbraw/zinc/78/21/83/416782183.db2.gz KOVURNIVZQPUAT-INIZCTEOSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636619990 416798504 /nfs/dbraw/zinc/79/85/04/416798504.db2.gz RCTKIOUHDUJFSW-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)C(F)F ZINC000518531875 416863272 /nfs/dbraw/zinc/86/32/72/416863272.db2.gz GCUJELFWKVETJL-RYUDHWBXSA-N 1 3 305.369 0.729 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000519123945 416890043 /nfs/dbraw/zinc/89/00/43/416890043.db2.gz IYOPYTZEHJAPJZ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)CCCS(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000631954507 416828834 /nfs/dbraw/zinc/82/88/34/416828834.db2.gz OCWWJZLITHNZCZ-LSDHHAIUSA-N 1 3 311.451 0.613 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000631958577 416833263 /nfs/dbraw/zinc/83/32/63/416833263.db2.gz XDBXISZUZDHZSC-UHFFFAOYSA-N 1 3 313.423 0.626 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000641413412 416839485 /nfs/dbraw/zinc/83/94/85/416839485.db2.gz HHUHYRNTFBUAGX-XJKSGUPXSA-N 1 3 306.410 0.270 20 0 DCADHO CN(C)CCOc1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000623836746 416903635 /nfs/dbraw/zinc/90/36/35/416903635.db2.gz HXMZMYISKXUAJP-INIZCTEOSA-N 1 3 307.438 0.783 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1)N(C)C ZINC000446603422 416937113 /nfs/dbraw/zinc/93/71/13/416937113.db2.gz DYJJMWUZOCSAKA-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)CC1)N(C)C ZINC000446603422 416937114 /nfs/dbraw/zinc/93/71/14/416937114.db2.gz DYJJMWUZOCSAKA-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637002681 416948596 /nfs/dbraw/zinc/94/85/96/416948596.db2.gz USGZGQSYDNTJKB-CABCVRRESA-N 1 3 311.474 0.454 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)C1=CCN(C)CC1 ZINC000521614492 417018100 /nfs/dbraw/zinc/01/81/00/417018100.db2.gz RJKLTDABOVIOHO-KCYZZUKISA-N 1 3 311.470 0.697 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000565426837 416978306 /nfs/dbraw/zinc/97/83/06/416978306.db2.gz JGVRYICAHVBSOI-LBPRGKRZSA-N 1 3 307.398 0.136 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000565707184 417008399 /nfs/dbraw/zinc/00/83/99/417008399.db2.gz HYEWZGWBKJUFSM-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@]1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCC[NH2+]C1 ZINC000642785673 417097168 /nfs/dbraw/zinc/09/71/68/417097168.db2.gz CNGUOPLWQTZOLL-YOEHRIQHSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642431221 417052286 /nfs/dbraw/zinc/05/22/86/417052286.db2.gz ZVDGCEXMDOTGCS-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642431171 417052353 /nfs/dbraw/zinc/05/23/53/417052353.db2.gz KVDNYJJLAMHYKQ-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000642439389 417053451 /nfs/dbraw/zinc/05/34/51/417053451.db2.gz DTOVUXKWSNACEE-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCCN1C ZINC000637264973 417054708 /nfs/dbraw/zinc/05/47/08/417054708.db2.gz NYMUQKUIABRJGP-GJZGRUSLSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H]1O ZINC000637264633 417056011 /nfs/dbraw/zinc/05/60/11/417056011.db2.gz MQHBPPWLOJRJKQ-IHRRRGAJSA-N 1 3 300.447 0.471 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H]1O ZINC000637264633 417056016 /nfs/dbraw/zinc/05/60/16/417056016.db2.gz MQHBPPWLOJRJKQ-IHRRRGAJSA-N 1 3 300.447 0.471 20 0 DCADHO COCCC[NH+]1CCC(NCCC(=O)Nc2cc(C)on2)CC1 ZINC000567683851 417067826 /nfs/dbraw/zinc/06/78/26/417067826.db2.gz YXCHNYRTMFDAQJ-UHFFFAOYSA-N 1 3 324.425 1.402 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC[C@@H]1[NH3+] ZINC000642698724 417073775 /nfs/dbraw/zinc/07/37/75/417073775.db2.gz JHJNMYLYAZXURB-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)[C@H]1CCN(C2CC2)C1 ZINC000430888167 417075052 /nfs/dbraw/zinc/07/50/52/417075052.db2.gz HDZXGJPUKDFUMK-AWEZNQCLSA-N 1 3 318.425 0.511 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000642713017 417076867 /nfs/dbraw/zinc/07/68/67/417076867.db2.gz IJFKONMWKBQBFI-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CN)[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430915564 417079448 /nfs/dbraw/zinc/07/94/48/417079448.db2.gz DDIUJZALXNRXFG-AWEZNQCLSA-N 1 3 305.426 0.399 20 0 DCADHO C[C@@H](CN)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430915564 417079454 /nfs/dbraw/zinc/07/94/54/417079454.db2.gz DDIUJZALXNRXFG-AWEZNQCLSA-N 1 3 305.426 0.399 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000642724349 417080702 /nfs/dbraw/zinc/08/07/02/417080702.db2.gz GHANLLSXGPZLHW-GXTWGEPZSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000642733836 417088096 /nfs/dbraw/zinc/08/80/96/417088096.db2.gz PALSEBTYJSWPNA-UKRRQHHQSA-N 1 3 318.421 0.403 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000642808228 417106087 /nfs/dbraw/zinc/10/60/87/417106087.db2.gz PGSHPRWXIUUZTN-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642808212 417107928 /nfs/dbraw/zinc/10/79/28/417107928.db2.gz MABURRVODBVVKG-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO NC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430619332 287347163 /nfs/dbraw/zinc/34/71/63/287347163.db2.gz BAHHXLLBLVDMID-LBPRGKRZSA-N 1 3 304.394 0.785 20 0 DCADHO CN(C)C[C@H]1CCCCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000404927280 417121946 /nfs/dbraw/zinc/12/19/46/417121946.db2.gz KNGGRRJNKAPVHT-CQSZACIVSA-N 1 3 320.441 0.759 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000449112979 417123134 /nfs/dbraw/zinc/12/31/34/417123134.db2.gz FFMCKZVPAZWFRS-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637507300 417127127 /nfs/dbraw/zinc/12/71/27/417127127.db2.gz FPMGNRGTDLULTN-HUUCEWRRSA-N 1 3 312.458 0.689 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642981314 417134772 /nfs/dbraw/zinc/13/47/72/417134772.db2.gz YIOYIJHULZYNRN-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000642990333 417142068 /nfs/dbraw/zinc/14/20/68/417142068.db2.gz ACHWXNVLFQJVQC-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642989309 417142428 /nfs/dbraw/zinc/14/24/28/417142428.db2.gz NUZRVPDGLIQZBV-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)O1 ZINC000637657246 417158593 /nfs/dbraw/zinc/15/85/93/417158593.db2.gz VSRPOJNAQBBKRR-HZSPNIEDSA-N 1 3 300.447 0.687 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000637806263 417187719 /nfs/dbraw/zinc/18/77/19/417187719.db2.gz QQFSYIPVSQBLDW-LSDHHAIUSA-N 1 3 315.458 0.700 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637816263 417196747 /nfs/dbraw/zinc/19/67/47/417196747.db2.gz FNYKGHXLBLEGBX-CVEARBPZSA-N 1 3 304.438 0.786 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637829697 417198183 /nfs/dbraw/zinc/19/81/83/417198183.db2.gz TZKBPYBHMQECGJ-MRXNPFEDSA-N 1 3 306.454 0.950 20 0 DCADHO C[C@H](NC(=O)[C@H](N)CN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000637822033 417200303 /nfs/dbraw/zinc/20/03/03/417200303.db2.gz XPHBGUNNRMMTKO-USXIJHARSA-N 1 3 318.465 0.950 20 0 DCADHO CCN1CCCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000627230167 417288653 /nfs/dbraw/zinc/28/86/53/417288653.db2.gz GDALKQQQOVGYRN-AWEZNQCLSA-N 1 3 321.429 0.050 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000638043094 417291135 /nfs/dbraw/zinc/29/11/35/417291135.db2.gz OJSVYXYVKGXIQL-HUUCEWRRSA-N 1 3 311.474 0.391 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CCCN2CCC([NH3+])CC2)CN1C1CC1 ZINC000433153952 417234343 /nfs/dbraw/zinc/23/43/43/417234343.db2.gz RPPPOAXEQNQQHQ-DZGCQCFKSA-N 1 3 308.470 0.931 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000643552934 417242721 /nfs/dbraw/zinc/24/27/21/417242721.db2.gz ZIHKSCKKEKGZDY-IHRRRGAJSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[C@H]1[NH3+] ZINC000643552893 417243985 /nfs/dbraw/zinc/24/39/85/417243985.db2.gz VGTZMWAVDPMTNG-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000627135340 417245189 /nfs/dbraw/zinc/24/51/89/417245189.db2.gz QVLJQDWMQALCLB-ZIAGYGMSSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000627135340 417245196 /nfs/dbraw/zinc/24/51/96/417245196.db2.gz QVLJQDWMQALCLB-ZIAGYGMSSA-N 1 3 321.429 0.178 20 0 DCADHO O=C(NC[C@@H]1CCN(C2CC2)C1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433373515 417261264 /nfs/dbraw/zinc/26/12/64/417261264.db2.gz CRKYPXINGZXKQJ-JSGCOSHPSA-N 1 3 318.425 0.417 20 0 DCADHO Cc1cc(CN)oc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000638138162 417350076 /nfs/dbraw/zinc/35/00/76/417350076.db2.gz WUHVIONXKZCFGS-LBPRGKRZSA-N 1 3 308.426 0.660 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000638051344 417300676 /nfs/dbraw/zinc/30/06/76/417300676.db2.gz FWVYDCZPKAVJEG-AWEZNQCLSA-N 1 3 322.478 0.906 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414840560 417307247 /nfs/dbraw/zinc/30/72/47/417307247.db2.gz KNDGEXKIIHAQEW-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NCCCN1CCc2ccccc2C1 ZINC000638070587 417311508 /nfs/dbraw/zinc/31/15/08/417311508.db2.gz RXGSPKBQQVHEMB-UHFFFAOYSA-N 1 3 316.449 0.456 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621844055 417319904 /nfs/dbraw/zinc/31/99/04/417319904.db2.gz OJQGQNXFGMNOTE-CPUCHLNUSA-N 1 3 322.453 0.317 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627268667 417321092 /nfs/dbraw/zinc/32/10/92/417321092.db2.gz GRUBNCSCJVHRQG-SJORKVTESA-N 1 3 321.465 0.918 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000415161200 417334998 /nfs/dbraw/zinc/33/49/98/417334998.db2.gz MMOJZGKGTQWXDT-UHFFFAOYSA-N 1 3 318.421 0.897 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000415169026 417338708 /nfs/dbraw/zinc/33/87/08/417338708.db2.gz VRWQKLCUPXXXMH-UHFFFAOYSA-N 1 3 318.421 0.897 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000633067183 417340137 /nfs/dbraw/zinc/34/01/37/417340137.db2.gz CMCTVNHDAQXJKJ-XDQVBPFNSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000633067183 417340144 /nfs/dbraw/zinc/34/01/44/417340144.db2.gz CMCTVNHDAQXJKJ-XDQVBPFNSA-N 1 3 312.458 0.145 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638271176 417398570 /nfs/dbraw/zinc/39/85/70/417398570.db2.gz UKWZMQQRDZCNNO-HUUCEWRRSA-N 1 3 304.438 0.702 20 0 DCADHO CN(C)CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000633327725 417411710 /nfs/dbraw/zinc/41/17/10/417411710.db2.gz ISNORSDXWMAUEW-GOOCMWNKSA-N 1 3 305.426 0.800 20 0 DCADHO CN(C)CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000633327725 417411717 /nfs/dbraw/zinc/41/17/17/417411717.db2.gz ISNORSDXWMAUEW-GOOCMWNKSA-N 1 3 305.426 0.800 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000571102593 417423374 /nfs/dbraw/zinc/42/33/74/417423374.db2.gz PYNYFFAFKSVQQV-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000571102593 417423381 /nfs/dbraw/zinc/42/33/81/417423381.db2.gz PYNYFFAFKSVQQV-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO COC[C@]1(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCC[NH2+]1 ZINC000570549932 417366540 /nfs/dbraw/zinc/36/65/40/417366540.db2.gz IYTDFAWQAPDQSY-DUVNUKRYSA-N 1 3 310.442 0.537 20 0 DCADHO COCCN(C)CCC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638361118 417433295 /nfs/dbraw/zinc/43/32/95/417433295.db2.gz XWHQWKUNSVPFMT-UHFFFAOYSA-N 1 3 301.475 0.780 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000633117117 417371960 /nfs/dbraw/zinc/37/19/60/417371960.db2.gz ZMXSVDPCEFBRNJ-MGPQQGTHSA-N 1 3 308.426 0.021 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000638204866 417373900 /nfs/dbraw/zinc/37/39/00/417373900.db2.gz RMFKNMZPCZUVCR-KGLIPLIRSA-N 1 3 301.431 0.086 20 0 DCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638221806 417377988 /nfs/dbraw/zinc/37/79/88/417377988.db2.gz ZSTGYUMWCSLUDW-NWDGAFQWSA-N 1 3 324.391 0.702 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638398582 417443979 /nfs/dbraw/zinc/44/39/79/417443979.db2.gz VJUDIBZEDVUQQL-BMFZPTHFSA-N 1 3 304.438 0.784 20 0 DCADHO CO[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000638588827 417496851 /nfs/dbraw/zinc/49/68/51/417496851.db2.gz OYPQNLLUVGJXGD-YQQAZPJKSA-N 1 3 311.470 0.796 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CNCc3ccccc32)n1 ZINC000573719345 417474541 /nfs/dbraw/zinc/47/45/41/417474541.db2.gz IPCBQDTVIPVACT-OAHLLOKOSA-N 1 3 313.405 1.270 20 0 DCADHO COC[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)OC ZINC000634711630 417529577 /nfs/dbraw/zinc/52/95/77/417529577.db2.gz RWADPEJOCONOHD-SJORKVTESA-N 1 3 308.422 0.874 20 0 DCADHO COC[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000634711630 417529585 /nfs/dbraw/zinc/52/95/85/417529585.db2.gz RWADPEJOCONOHD-SJORKVTESA-N 1 3 308.422 0.874 20 0 DCADHO COC[C@]1(C(=O)Nc2ccc3c(c2)OCCNC3)CC[NH2+]C1 ZINC000638668868 417531669 /nfs/dbraw/zinc/53/16/69/417531669.db2.gz RNJGMOGKMSNAFZ-INIZCTEOSA-N 1 3 305.378 0.733 20 0 DCADHO C[C@H]1CN(CCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000530242128 417557594 /nfs/dbraw/zinc/55/75/94/417557594.db2.gz MLUPXVKEXWYRJD-DOTOQJQBSA-N 1 3 311.470 0.798 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000575043900 417504158 /nfs/dbraw/zinc/50/41/58/417504158.db2.gz YHOIDACIPWCURU-IRXDYDNUSA-N 1 3 319.449 0.938 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638638641 417523578 /nfs/dbraw/zinc/52/35/78/417523578.db2.gz FLTGFOLOZXOWIR-KBPBESRZSA-N 1 3 301.431 0.228 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860335 417574007 /nfs/dbraw/zinc/57/40/07/417574007.db2.gz YWGTWIWCEURAFU-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCc2ncnn21 ZINC000639550028 417690715 /nfs/dbraw/zinc/69/07/15/417690715.db2.gz KPGJUJGKBGUUOG-HNNXBMFYSA-N 1 3 306.458 0.723 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCc2ncnn21 ZINC000639550028 417690719 /nfs/dbraw/zinc/69/07/19/417690719.db2.gz KPGJUJGKBGUUOG-HNNXBMFYSA-N 1 3 306.458 0.723 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000635376917 417645985 /nfs/dbraw/zinc/64/59/85/417645985.db2.gz MCCUPEGBBALYSK-HOTGVXAUSA-N 1 3 307.438 0.840 20 0 DCADHO CN(CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000532010695 417652838 /nfs/dbraw/zinc/65/28/38/417652838.db2.gz IYCAOQUUERDCMR-CVEARBPZSA-N 1 3 324.469 0.758 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639875806 417760452 /nfs/dbraw/zinc/76/04/52/417760452.db2.gz BBYDLNUQLBBYLD-HOTGVXAUSA-N 1 3 313.486 0.874 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639875806 417760455 /nfs/dbraw/zinc/76/04/55/417760455.db2.gz BBYDLNUQLBBYLD-HOTGVXAUSA-N 1 3 313.486 0.874 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000645953535 417830081 /nfs/dbraw/zinc/83/00/81/417830081.db2.gz YZQFRWSZSCXWCG-QWHCGFSZSA-N 1 3 303.410 0.701 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662658984 417838560 /nfs/dbraw/zinc/83/85/60/417838560.db2.gz HHBTUWCEYBWYQQ-GOOCMWNKSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)nnn1[C@H]1CC[NH2+]C1 ZINC000662514581 417789580 /nfs/dbraw/zinc/78/95/80/417789580.db2.gz PAZTZFRVNVAMLQ-IHRRRGAJSA-N 1 3 318.425 0.287 20 0 DCADHO O=C(c1cccc2c1CNC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662517235 417791163 /nfs/dbraw/zinc/79/11/63/417791163.db2.gz SDDKAYSJVIXHSE-AWEZNQCLSA-N 1 3 300.406 0.410 20 0 DCADHO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000662528966 417794798 /nfs/dbraw/zinc/79/47/98/417794798.db2.gz KDPTWQWCLFJOBS-OAHLLOKOSA-N 1 3 320.437 0.592 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(CN)o3)C2)CC1 ZINC000645977700 417838814 /nfs/dbraw/zinc/83/88/14/417838814.db2.gz JBESNVKEIXEAKM-LBPRGKRZSA-N 1 3 306.410 0.637 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(CN)o3)C2)CC1 ZINC000645977700 417838819 /nfs/dbraw/zinc/83/88/19/417838819.db2.gz JBESNVKEIXEAKM-LBPRGKRZSA-N 1 3 306.410 0.637 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(CN)o3)C2)CC1 ZINC000645977700 417838824 /nfs/dbraw/zinc/83/88/24/417838824.db2.gz JBESNVKEIXEAKM-LBPRGKRZSA-N 1 3 306.410 0.637 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000662703306 417862243 /nfs/dbraw/zinc/86/22/43/417862243.db2.gz JNQHOUINJOSQOB-CHWSQXEVSA-N 1 3 306.414 0.244 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712131 417865045 /nfs/dbraw/zinc/86/50/45/417865045.db2.gz RILVADPZFQEREU-WCQYABFASA-N 1 3 323.359 0.755 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662710823 417866118 /nfs/dbraw/zinc/86/61/18/417866118.db2.gz ZGNMGVMELUKVFT-DLBZAZTESA-N 1 3 317.433 0.926 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)C1 ZINC000652241486 417871335 /nfs/dbraw/zinc/87/13/35/417871335.db2.gz LYENUWUFXMYEAN-OAHLLOKOSA-N 1 3 323.485 0.537 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[N@H+](C)CCOCCOC)C[C@H](C)N1 ZINC000636231129 417906946 /nfs/dbraw/zinc/90/69/46/417906946.db2.gz ZKPYJTIQZZBROU-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[N@@H+](C)CCOCCOC)C[C@H](C)N1 ZINC000636231129 417906950 /nfs/dbraw/zinc/90/69/50/417906950.db2.gz ZKPYJTIQZZBROU-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662822835 417916280 /nfs/dbraw/zinc/91/62/80/417916280.db2.gz RDQCLILPPSVERD-ZDUSSCGKSA-N 1 3 305.426 0.900 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662840180 417922320 /nfs/dbraw/zinc/92/23/20/417922320.db2.gz YUERCUXOWAFPGY-NFAWXSAZSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662840180 417922326 /nfs/dbraw/zinc/92/23/26/417922326.db2.gz YUERCUXOWAFPGY-NFAWXSAZSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CN1C1CC1 ZINC000631708835 417923347 /nfs/dbraw/zinc/92/33/47/417923347.db2.gz HFPSFOQPCBKZRD-JSGCOSHPSA-N 1 3 305.426 0.800 20 0 DCADHO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860479 417930879 /nfs/dbraw/zinc/93/08/79/417930879.db2.gz SARRGTBTYJPWIV-CVEARBPZSA-N 1 3 317.433 0.867 20 0 DCADHO COC[C@@]1(CNC(=O)Nc2cnn(CCN(C)C)c2)CCC[NH2+]1 ZINC000652612099 417931543 /nfs/dbraw/zinc/93/15/43/417931543.db2.gz IEUJIHFLFQFRLL-HNNXBMFYSA-N 1 3 324.429 0.335 20 0 DCADHO CC[NH+]1CCC(NC(=O)Cn2cc([C@@H](N)C(C)C)nn2)CC1 ZINC000640865665 417934035 /nfs/dbraw/zinc/93/40/35/417934035.db2.gz CSBCYIWCHUJKIZ-HNNXBMFYSA-N 1 3 308.430 0.534 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CN1CCCC[C@@H](N)C1=O ZINC000662887214 417938319 /nfs/dbraw/zinc/93/83/19/417938319.db2.gz VFWLUTAPNAVDLK-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C(=O)[C@@H]1CSCN1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899775 417943276 /nfs/dbraw/zinc/94/32/76/417943276.db2.gz GRGFEOHTRUSSFT-KGLIPLIRSA-N 1 3 312.483 0.276 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000652704322 417950992 /nfs/dbraw/zinc/95/09/92/417950992.db2.gz JFZZSMUHGUDODW-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652722939 417955937 /nfs/dbraw/zinc/95/59/37/417955937.db2.gz DSGQQCDAHRLNEO-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](N)c1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641048139 417965268 /nfs/dbraw/zinc/96/52/68/417965268.db2.gz XRRJEBSUAPQDEG-MRXNPFEDSA-N 1 3 322.457 0.923 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@H]3COC[C@H]3C2)C1=O ZINC000663221480 418001762 /nfs/dbraw/zinc/00/17/62/418001762.db2.gz OIRDIOCIVCWRKF-MJBXVCDLSA-N 1 3 309.410 0.034 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653047748 418016434 /nfs/dbraw/zinc/01/64/34/418016434.db2.gz PWLXSFZZUJBBCR-HUUCEWRRSA-N 1 3 315.421 0.960 20 0 DCADHO O=C(N1CCOC2(CNC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000663491142 418025476 /nfs/dbraw/zinc/02/54/76/418025476.db2.gz GGGRGUGXBKQSSE-QGZVFWFLSA-N 1 3 301.390 0.119 20 0 DCADHO CCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CC[N@H+](CC)C1 ZINC000658824437 418027363 /nfs/dbraw/zinc/02/73/63/418027363.db2.gz ZUEQPCKSLFGGKE-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658824437 418027366 /nfs/dbraw/zinc/02/73/66/418027366.db2.gz ZUEQPCKSLFGGKE-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cnn(C)c1 ZINC000663693430 418048080 /nfs/dbraw/zinc/04/80/80/418048080.db2.gz NOWXYXHJNMNHCI-AWEZNQCLSA-N 1 3 324.473 0.534 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cnn(C)c1 ZINC000663693430 418048082 /nfs/dbraw/zinc/04/80/82/418048082.db2.gz NOWXYXHJNMNHCI-AWEZNQCLSA-N 1 3 324.473 0.534 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000647085702 417984513 /nfs/dbraw/zinc/98/45/13/417984513.db2.gz HILMXTNGDJCSBC-UYSNPLJNSA-N 1 3 308.470 0.803 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000647085702 417984516 /nfs/dbraw/zinc/98/45/16/417984516.db2.gz HILMXTNGDJCSBC-UYSNPLJNSA-N 1 3 308.470 0.803 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000663690771 418048615 /nfs/dbraw/zinc/04/86/15/418048615.db2.gz XRGRZCREBVRBDL-STQMWFEESA-N 1 3 315.462 0.034 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C(=O)N(C)C ZINC000663690771 418048618 /nfs/dbraw/zinc/04/86/18/418048618.db2.gz XRGRZCREBVRBDL-STQMWFEESA-N 1 3 315.462 0.034 20 0 DCADHO C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+](C)C ZINC000659094790 418057507 /nfs/dbraw/zinc/05/75/07/418057507.db2.gz QEGNOZPLMPCLKB-LLVKDONJSA-N 1 3 304.394 0.685 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000659094911 418057664 /nfs/dbraw/zinc/05/76/64/418057664.db2.gz RUFGEZPQFGEFSC-LBPRGKRZSA-N 1 3 306.410 0.849 20 0 DCADHO Cc1c(C(=O)N2CCNCC2(C)C)nnn1C1CC[NH2+]CC1 ZINC000647839857 418061789 /nfs/dbraw/zinc/06/17/89/418061789.db2.gz IBDFAEKECZSWJZ-UHFFFAOYSA-N 1 3 306.414 0.335 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000659244285 418072470 /nfs/dbraw/zinc/07/24/70/418072470.db2.gz SNJZVPMQWCVYSA-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC1CCOCC1 ZINC000647977584 418083210 /nfs/dbraw/zinc/08/32/10/418083210.db2.gz DUNVBJGCSLMLNB-LSDHHAIUSA-N 1 3 309.454 0.993 20 0 DCADHO COC(C)(C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664233465 418099840 /nfs/dbraw/zinc/09/98/40/418099840.db2.gz KGLGENWTNMADDI-ZDUSSCGKSA-N 1 3 302.463 0.983 20 0 DCADHO COC(C)(C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664233465 418099842 /nfs/dbraw/zinc/09/98/42/418099842.db2.gz KGLGENWTNMADDI-ZDUSSCGKSA-N 1 3 302.463 0.983 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659458771 418100033 /nfs/dbraw/zinc/10/00/33/418100033.db2.gz AFMLTURANLLCOB-HPUBIQBYSA-N 1 3 323.485 0.393 20 0 DCADHO CN1CCN(CCCCNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659457523 418100922 /nfs/dbraw/zinc/10/09/22/418100922.db2.gz GMIQBUIRVLBUHI-UHFFFAOYSA-N 1 3 309.458 0.065 20 0 DCADHO CN(C)CCC[N@H+](C)CCNc1cc(N2CCOCC2)ncn1 ZINC000664247549 418102931 /nfs/dbraw/zinc/10/29/31/418102931.db2.gz BBQVOZSHVFZZIP-UHFFFAOYSA-N 1 3 322.457 0.609 20 0 DCADHO CN(C)CCC[N@@H+](C)CCNc1cc(N2CCOCC2)ncn1 ZINC000664247549 418102935 /nfs/dbraw/zinc/10/29/35/418102935.db2.gz BBQVOZSHVFZZIP-UHFFFAOYSA-N 1 3 322.457 0.609 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664396568 418122840 /nfs/dbraw/zinc/12/28/40/418122840.db2.gz LOZLJJLYYYSONI-ILXRZTDVSA-N 1 3 312.458 0.281 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664396568 418122841 /nfs/dbraw/zinc/12/28/41/418122841.db2.gz LOZLJJLYYYSONI-ILXRZTDVSA-N 1 3 312.458 0.281 20 0 DCADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659607399 418124892 /nfs/dbraw/zinc/12/48/92/418124892.db2.gz BSLCXVLOQFYDMV-RBSFLKMASA-N 1 3 310.442 0.809 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659609066 418125261 /nfs/dbraw/zinc/12/52/61/418125261.db2.gz RTPVWOOGYFGVMP-GJZGRUSLSA-N 1 3 310.442 0.633 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659685393 418146477 /nfs/dbraw/zinc/14/64/77/418146477.db2.gz MBKAZRICGWWEAO-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659697404 418150492 /nfs/dbraw/zinc/15/04/92/418150492.db2.gz GCJALGZZYVZRJZ-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000659709688 418156549 /nfs/dbraw/zinc/15/65/49/418156549.db2.gz HWZFVNQDQAUOAL-ZDUSSCGKSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000659720326 418161264 /nfs/dbraw/zinc/16/12/64/418161264.db2.gz CBBCYRBPHCTEJQ-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000659723641 418163735 /nfs/dbraw/zinc/16/37/35/418163735.db2.gz QNTKTOIJQWMYLL-CYBMUJFWSA-N 1 3 308.426 0.011 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000659726133 418164541 /nfs/dbraw/zinc/16/45/41/418164541.db2.gz CEMPELGGOWVWEJ-BARDWOONSA-N 1 3 322.453 0.091 20 0 DCADHO COC[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OC ZINC000660276196 418245856 /nfs/dbraw/zinc/24/58/56/418245856.db2.gz OVCNXHSFADTVAT-MRXNPFEDSA-N 1 3 313.486 0.997 20 0 DCADHO CCC(CC)(C[NH3+])C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000649352762 418246412 /nfs/dbraw/zinc/24/64/12/418246412.db2.gz IXEPFESKUCXHSR-OAHLLOKOSA-N 1 3 310.486 0.990 20 0 DCADHO Cn1ccnc(N2CCN(CCCC3CC[NH2+]CC3)CC2)c1=O ZINC000649413802 418252820 /nfs/dbraw/zinc/25/28/20/418252820.db2.gz GLTPQVIREXFGRA-UHFFFAOYSA-N 1 3 319.453 0.682 20 0 DCADHO C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654775321 418186824 /nfs/dbraw/zinc/18/68/24/418186824.db2.gz JBERZGUOPNJDJC-KGLIPLIRSA-N 1 3 319.453 0.873 20 0 DCADHO C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654775321 418186826 /nfs/dbraw/zinc/18/68/26/418186826.db2.gz JBERZGUOPNJDJC-KGLIPLIRSA-N 1 3 319.453 0.873 20 0 DCADHO CN1CCC(CCO)(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000654986098 418210437 /nfs/dbraw/zinc/21/04/37/418210437.db2.gz XFQZMVORALIOHX-UHFFFAOYSA-N 1 3 323.441 0.021 20 0 DCADHO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000655671410 418287555 /nfs/dbraw/zinc/28/75/55/418287555.db2.gz OFKQKBSVOKOCCD-SOUVJXGZSA-N 1 3 312.458 0.473 20 0 DCADHO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000655671410 418287558 /nfs/dbraw/zinc/28/75/58/418287558.db2.gz OFKQKBSVOKOCCD-SOUVJXGZSA-N 1 3 312.458 0.473 20 0 DCADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660844170 418293444 /nfs/dbraw/zinc/29/34/44/418293444.db2.gz GJERHOWXQSFUCH-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660844170 418293447 /nfs/dbraw/zinc/29/34/47/418293447.db2.gz GJERHOWXQSFUCH-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(CCOC)CC2)C1 ZINC000660840331 418293847 /nfs/dbraw/zinc/29/38/47/418293847.db2.gz WYGNEBVFNKANJV-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC2CCN(CCOC)CC2)C1 ZINC000660840331 418293850 /nfs/dbraw/zinc/29/38/50/418293850.db2.gz WYGNEBVFNKANJV-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)N[C@H](CN)C(F)(F)F ZINC000655928499 418303121 /nfs/dbraw/zinc/30/31/21/418303121.db2.gz NDAZILGHOCLUKB-VHSXEESVSA-N 1 3 314.352 0.268 20 0 DCADHO COc1ccc([C@H](C[NH3+])CN2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655948382 418306145 /nfs/dbraw/zinc/30/61/45/418306145.db2.gz ZAKWNCILQDBGJQ-OWCLPIDISA-N 1 3 305.422 0.488 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000656023773 418319881 /nfs/dbraw/zinc/31/98/81/418319881.db2.gz FEHQAEJNXKJLHX-QWHCGFSZSA-N 1 3 308.426 0.117 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656024100 418319958 /nfs/dbraw/zinc/31/99/58/418319958.db2.gz JGGBRPBDTGCQLX-QPSCCSFWSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[C@@H]1[NH3+] ZINC000656028155 418321395 /nfs/dbraw/zinc/32/13/95/418321395.db2.gz IGRXRHCWOWXYPA-BARDWOONSA-N 1 3 322.453 0.315 20 0 DCADHO NC[C@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(F)(F)F ZINC000655517182 418271654 /nfs/dbraw/zinc/27/16/54/418271654.db2.gz BBXAZDKJSWCSOO-ZJUUUORDSA-N 1 3 305.304 0.427 20 0 DCADHO C[C@@H](CNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[NH+](C)C ZINC000656195812 418334939 /nfs/dbraw/zinc/33/49/39/418334939.db2.gz OOQQVXQACRYETQ-LSDHHAIUSA-N 1 3 311.474 0.358 20 0 DCADHO CO[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)C(F)(F)F ZINC000651263763 418358126 /nfs/dbraw/zinc/35/81/26/418358126.db2.gz HIQCPYOBIAWMJJ-NSHDSACASA-N 1 3 313.364 0.906 20 0 DCADHO O=C(CN[C@@H]1C[C@@H](O)C12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000661838031 418364227 /nfs/dbraw/zinc/36/42/27/418364227.db2.gz WVHHRPNCIPMLLE-HUUCEWRRSA-N 1 3 307.438 0.623 20 0 DCADHO CC(C)[NH2+]CC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000662428129 418409667 /nfs/dbraw/zinc/40/96/67/418409667.db2.gz NGKASBMBRWTJPC-UHFFFAOYSA-N 1 3 319.453 0.708 20 0 DCADHO COCCCN(C)CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662475324 418411784 /nfs/dbraw/zinc/41/17/84/418411784.db2.gz KUQBBGMKQVYZPJ-GFCCVEGCSA-N 1 3 309.414 0.185 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000237194792 261158084 /nfs/dbraw/zinc/15/80/84/261158084.db2.gz BMVUBAOKJULENG-HNNXBMFYSA-N 1 3 313.442 0.372 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340217682 261182782 /nfs/dbraw/zinc/18/27/82/261182782.db2.gz LTNUGZYKLHWUNG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000340511814 261183774 /nfs/dbraw/zinc/18/37/74/261183774.db2.gz RVLMUWDALAHSJO-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000340511814 261183775 /nfs/dbraw/zinc/18/37/75/261183775.db2.gz RVLMUWDALAHSJO-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000354550532 261235918 /nfs/dbraw/zinc/23/59/18/261235918.db2.gz JXRWBVBYJBIFSW-VHDGCEQUSA-N 1 3 312.458 0.614 20 0 DCADHO C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000354681917 261257793 /nfs/dbraw/zinc/25/77/93/261257793.db2.gz URAWWIRYOCHXRO-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000354743587 261266535 /nfs/dbraw/zinc/26/65/35/261266535.db2.gz RMDGOHYVSXTADJ-RDBSUJKOSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354943767 261290432 /nfs/dbraw/zinc/29/04/32/261290432.db2.gz UGKDRWUNWKPOTD-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354943767 261290433 /nfs/dbraw/zinc/29/04/33/261290433.db2.gz UGKDRWUNWKPOTD-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)N(C)C ZINC000354985625 261293525 /nfs/dbraw/zinc/29/35/25/261293525.db2.gz RUAJJROFBNQGJY-GOEBONIOSA-N 1 3 310.486 0.954 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000355003423 261295306 /nfs/dbraw/zinc/29/53/06/261295306.db2.gz OFYQQQRAXSNQDT-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000355003423 261295307 /nfs/dbraw/zinc/29/53/07/261295307.db2.gz OFYQQQRAXSNQDT-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000355315203 261329935 /nfs/dbraw/zinc/32/99/35/261329935.db2.gz OYAYXUWHVVVWRN-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCOCCN(C)C ZINC000355331637 261331730 /nfs/dbraw/zinc/33/17/30/261331730.db2.gz AOJNSPKPJASHDY-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)N(C)C1CC1 ZINC000355864617 261371752 /nfs/dbraw/zinc/37/17/52/261371752.db2.gz NABBTPHDBUMYOO-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](C(C)C)C2)C1 ZINC000362855127 262080954 /nfs/dbraw/zinc/08/09/54/262080954.db2.gz YNLKIRSMUJCVSV-HUUCEWRRSA-N 1 3 312.458 0.689 20 0 DCADHO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](C(C)C)C2)C1 ZINC000362855127 262080957 /nfs/dbraw/zinc/08/09/57/262080957.db2.gz YNLKIRSMUJCVSV-HUUCEWRRSA-N 1 3 312.458 0.689 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000363001810 262093023 /nfs/dbraw/zinc/09/30/23/262093023.db2.gz PTAIFDJFIWWZQD-QZWWFDLISA-N 1 3 322.497 0.669 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000363001810 262093024 /nfs/dbraw/zinc/09/30/24/262093024.db2.gz PTAIFDJFIWWZQD-QZWWFDLISA-N 1 3 322.497 0.669 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363282749 262110550 /nfs/dbraw/zinc/11/05/50/262110550.db2.gz ODDXSIYPMJUKLD-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363282749 262110553 /nfs/dbraw/zinc/11/05/53/262110553.db2.gz ODDXSIYPMJUKLD-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[N@@H+](CC2CCN(CCN3CCNC3=O)CC2)C[C@H](C)O1 ZINC000368005830 262144594 /nfs/dbraw/zinc/14/45/94/262144594.db2.gz KPKKZDXJQFVCHH-GASCZTMLSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1C[N@H+](CC2CCN(CCN3CCNC3=O)CC2)C[C@H](C)O1 ZINC000368005830 262144596 /nfs/dbraw/zinc/14/45/96/262144596.db2.gz KPKKZDXJQFVCHH-GASCZTMLSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN(C)CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417094651 262245741 /nfs/dbraw/zinc/24/57/41/262245741.db2.gz QPPWDERNPXUTRG-UHFFFAOYSA-N 1 3 300.447 0.916 20 0 DCADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000417219367 262247895 /nfs/dbraw/zinc/24/78/95/262247895.db2.gz IYZVWGNIISMPKE-GOEBONIOSA-N 1 3 320.437 0.785 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417299470 262249521 /nfs/dbraw/zinc/24/95/21/262249521.db2.gz RPRKLEYDNQYEFD-AWEZNQCLSA-N 1 3 300.447 0.770 20 0 DCADHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1CNCCO1 ZINC000417717061 262258913 /nfs/dbraw/zinc/25/89/13/262258913.db2.gz VAXDGOWQEACZIE-OAHLLOKOSA-N 1 3 312.458 0.930 20 0 DCADHO COCCCN(C)CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417745824 262260056 /nfs/dbraw/zinc/26/00/56/262260056.db2.gz FSQNTWVLMPTRSR-CQSZACIVSA-N 1 3 300.447 0.644 20 0 DCADHO CN(C)[C@]1(CNC(=O)NCCC[NH2+]C2CC2)CCSC1 ZINC000417812944 262262602 /nfs/dbraw/zinc/26/26/02/262262602.db2.gz FZDSYEXGQWNPTI-AWEZNQCLSA-N 1 3 300.472 0.865 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCN1C ZINC000418000119 262267856 /nfs/dbraw/zinc/26/78/56/262267856.db2.gz IYXJQITZRLDGBP-RBSFLKMASA-N 1 3 309.458 0.158 20 0 DCADHO CN(CC[NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077094 262269374 /nfs/dbraw/zinc/26/93/74/262269374.db2.gz SEBJRFLOEWBTLL-MRXNPFEDSA-N 1 3 320.437 0.878 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418108620 262269909 /nfs/dbraw/zinc/26/99/09/262269909.db2.gz BBVZDPFWKNFORV-UONOGXRCSA-N 1 3 300.447 0.642 20 0 DCADHO CCC[NH2+]CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418108148 262270138 /nfs/dbraw/zinc/27/01/38/262270138.db2.gz AGSIWWBSVNAYSI-AWEZNQCLSA-N 1 3 300.447 0.786 20 0 DCADHO CSC1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC000418196975 262272381 /nfs/dbraw/zinc/27/23/81/262272381.db2.gz INCKGFGXVZVGDF-LBPRGKRZSA-N 1 3 300.472 0.865 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418500817 262279476 /nfs/dbraw/zinc/27/94/76/262279476.db2.gz ZLCDJMPXCXZFNF-YOEHRIQHSA-N 1 3 320.437 0.517 20 0 DCADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418669494 262285356 /nfs/dbraw/zinc/28/53/56/262285356.db2.gz JNOAYAUFRMMCPJ-ZSHCYNCHSA-N 1 3 302.422 0.978 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418791784 262290046 /nfs/dbraw/zinc/29/00/46/262290046.db2.gz MZOXHIPSSGKCHH-JJXSEGSLSA-N 1 3 324.469 0.521 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418826833 262291672 /nfs/dbraw/zinc/29/16/72/262291672.db2.gz CYTZHZQYQPDSSM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418925167 262298421 /nfs/dbraw/zinc/29/84/21/262298421.db2.gz QDIJXDDJZMRBFU-DVOMOZLQSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419017404 262305368 /nfs/dbraw/zinc/30/53/68/262305368.db2.gz ATPAULXHFPYQME-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419075887 262306471 /nfs/dbraw/zinc/30/64/71/262306471.db2.gz GUURLPPRQCTHTB-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419073860 262306552 /nfs/dbraw/zinc/30/65/52/262306552.db2.gz CXUWUHJZIRGCBP-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419077372 262306655 /nfs/dbraw/zinc/30/66/55/262306655.db2.gz JBGLDUSQMRDBBM-KBPBESRZSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419126471 262310995 /nfs/dbraw/zinc/31/09/95/262310995.db2.gz WYLFQCKCXGKROW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419129524 262311558 /nfs/dbraw/zinc/31/15/58/262311558.db2.gz DFQKMRAABRMVTF-VXGBXAGGSA-N 1 3 300.447 0.275 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCN)[NH+]1CCCCCC1 ZINC000419129806 262312072 /nfs/dbraw/zinc/31/20/72/262312072.db2.gz YOLQHPCIIUIECZ-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419169212 262316265 /nfs/dbraw/zinc/31/62/65/262316265.db2.gz MBOKMTAUJSXYER-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419175735 262317164 /nfs/dbraw/zinc/31/71/64/262317164.db2.gz XYLFDMQOLKAJCS-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000419198208 262318952 /nfs/dbraw/zinc/31/89/52/262318952.db2.gz KONCVXWWZHUDSX-ZIAGYGMSSA-N 1 3 320.437 0.477 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000419198208 262318954 /nfs/dbraw/zinc/31/89/54/262318954.db2.gz KONCVXWWZHUDSX-ZIAGYGMSSA-N 1 3 320.437 0.477 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419407163 262330239 /nfs/dbraw/zinc/33/02/39/262330239.db2.gz JRLCZAXCFLLSMR-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419407262 262330412 /nfs/dbraw/zinc/33/04/12/262330412.db2.gz JYIHWZIPYMCYSO-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419411263 262331138 /nfs/dbraw/zinc/33/11/38/262331138.db2.gz BJUXKZNIPMGHJL-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419411315 262331504 /nfs/dbraw/zinc/33/15/04/262331504.db2.gz BMRVNFGYQWHKIG-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000419416581 262331910 /nfs/dbraw/zinc/33/19/10/262331910.db2.gz WJUDFOZZPVWNMT-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419419282 262332711 /nfs/dbraw/zinc/33/27/11/262332711.db2.gz IXWGIAAYFUXOQF-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419426794 262333033 /nfs/dbraw/zinc/33/30/33/262333033.db2.gz RAEHWHOVKCWVPM-AWEZNQCLSA-N 1 3 322.453 0.403 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419425894 262333306 /nfs/dbraw/zinc/33/33/06/262333306.db2.gz QGASVDPYSRJRPB-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)C1CC1 ZINC000419519451 262336692 /nfs/dbraw/zinc/33/66/92/262336692.db2.gz GANWIVUAGUVDOQ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419587170 262338771 /nfs/dbraw/zinc/33/87/71/262338771.db2.gz NLWDPWCEOKUEAB-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419595407 262339747 /nfs/dbraw/zinc/33/97/47/262339747.db2.gz WQFZFRZXHZQPHW-MELADBBJSA-N 1 3 310.442 0.234 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419595100 262339791 /nfs/dbraw/zinc/33/97/91/262339791.db2.gz VVPSQPGYXZYZSC-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCCCC[NH3+] ZINC000419695686 262346219 /nfs/dbraw/zinc/34/62/19/262346219.db2.gz LIIMRNYDWALAIP-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCC[C@H](C)C1 ZINC000419850232 262349197 /nfs/dbraw/zinc/34/91/97/262349197.db2.gz FALVOAILQSQEAM-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000420079080 262359706 /nfs/dbraw/zinc/35/97/06/262359706.db2.gz GUAYRUYCCLYTNI-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420087157 262360096 /nfs/dbraw/zinc/36/00/96/262360096.db2.gz PKGNKEPWSBKOOM-ZIAGYGMSSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420092754 262360160 /nfs/dbraw/zinc/36/01/60/262360160.db2.gz WEGRINPDADKSPW-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000420142347 262362998 /nfs/dbraw/zinc/36/29/98/262362998.db2.gz IOCMYHWFHOHBPP-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000420142347 262362999 /nfs/dbraw/zinc/36/29/99/262362999.db2.gz IOCMYHWFHOHBPP-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)C[C@@H](O)CN ZINC000420349210 262370008 /nfs/dbraw/zinc/37/00/08/262370008.db2.gz CCHPRNSZIZBMJV-HNNXBMFYSA-N 1 3 318.425 0.762 20 0 DCADHO C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)C[C@@H](O)CN ZINC000420349210 262370009 /nfs/dbraw/zinc/37/00/09/262370009.db2.gz CCHPRNSZIZBMJV-HNNXBMFYSA-N 1 3 318.425 0.762 20 0 DCADHO CN(CCCCCn1nnc(-c2ccccc2)n1)C[C@@H](O)C[NH3+] ZINC000420349210 262370010 /nfs/dbraw/zinc/37/00/10/262370010.db2.gz CCHPRNSZIZBMJV-HNNXBMFYSA-N 1 3 318.425 0.762 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422115591 262396990 /nfs/dbraw/zinc/39/69/90/262396990.db2.gz JWSIWLXIDSAHHV-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422115591 262396992 /nfs/dbraw/zinc/39/69/92/262396992.db2.gz JWSIWLXIDSAHHV-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000355895714 271029282 /nfs/dbraw/zinc/02/92/82/271029282.db2.gz XXBWOMISBFNHFK-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418621698 271249347 /nfs/dbraw/zinc/24/93/47/271249347.db2.gz UAAKSZABTLQFJL-CWRNSKLLSA-N 1 3 320.437 0.516 20 0 DCADHO C[C@@H](NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1)[C@H](C)[NH3+] ZINC000418731439 271253484 /nfs/dbraw/zinc/25/34/84/271253484.db2.gz SVXUWBUHXKCYCE-HZSPNIEDSA-N 1 3 311.474 0.532 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)[C@@H]1CN ZINC000418991699 271264090 /nfs/dbraw/zinc/26/40/90/271264090.db2.gz MYIODPIPIRKWCS-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)[C@@H]1CN ZINC000418991699 271264092 /nfs/dbraw/zinc/26/40/92/271264092.db2.gz MYIODPIPIRKWCS-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419025610 271266076 /nfs/dbraw/zinc/26/60/76/271266076.db2.gz MJINADGBWIUCKT-HZSPNIEDSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419032504 271267877 /nfs/dbraw/zinc/26/78/77/271267877.db2.gz WVLOZFMFIDBYNC-KEYYUXOJSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419028878 271267904 /nfs/dbraw/zinc/26/79/04/271267904.db2.gz QUXCGNFHDABUJU-HZSPNIEDSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419033677 271268993 /nfs/dbraw/zinc/26/89/93/271268993.db2.gz YORVSKGFGTTZCI-YRGRVCCFSA-N 1 3 310.442 0.077 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419042360 271269191 /nfs/dbraw/zinc/26/91/91/271269191.db2.gz HONFEUBAEYQUGU-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419278947 271281640 /nfs/dbraw/zinc/28/16/40/271281640.db2.gz BSASYFVKQCSLAW-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000419401104 271289072 /nfs/dbraw/zinc/28/90/72/271289072.db2.gz ANZZTCLAJJQEAI-MCIONIFRSA-N 1 3 310.442 0.078 20 0 DCADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000419530744 271297704 /nfs/dbraw/zinc/29/77/04/271297704.db2.gz ZJPAWMYCLSXQSE-NWANDNLSSA-N 1 3 322.453 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419578529 271309538 /nfs/dbraw/zinc/30/95/38/271309538.db2.gz DZRBDMMMIHTJDP-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000419577468 271310098 /nfs/dbraw/zinc/31/00/98/271310098.db2.gz DDMCMOYDDHEYFN-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419580387 271310990 /nfs/dbraw/zinc/31/09/90/271310990.db2.gz HAMDKBBWUXLEAT-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000419580385 271311368 /nfs/dbraw/zinc/31/13/68/271311368.db2.gz HAMDKBBWUXLEAT-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000419630685 271312519 /nfs/dbraw/zinc/31/25/19/271312519.db2.gz UITFQYYRNJYDQU-GXTWGEPZSA-N 1 3 310.442 0.387 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H](CN)C1CC1)C[NH+]1CCCC1 ZINC000419671754 271320538 /nfs/dbraw/zinc/32/05/38/271320538.db2.gz YTUHCUCURZEYPH-CYBMUJFWSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419675108 271322143 /nfs/dbraw/zinc/32/21/43/271322143.db2.gz KZITXIGWJAEZEI-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420014925 271351541 /nfs/dbraw/zinc/35/15/41/271351541.db2.gz LFGMIWMHVNFTCM-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000420175230 271363037 /nfs/dbraw/zinc/36/30/37/271363037.db2.gz UWJODZJOXVJPIU-MCIONIFRSA-N 1 3 312.458 0.337 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000420175233 271363243 /nfs/dbraw/zinc/36/32/43/271363243.db2.gz UWJODZJOXVJPIU-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000422826131 271386285 /nfs/dbraw/zinc/38/62/85/271386285.db2.gz KYKNUXHBVNRFKL-JKSUJKDBSA-N 1 3 318.469 0.576 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000515342231 287652421 /nfs/dbraw/zinc/65/24/21/287652421.db2.gz KXDOYUVVJBAGQD-CABCVRRESA-N 1 3 313.490 0.639 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000414909146 277286609 /nfs/dbraw/zinc/28/66/09/277286609.db2.gz FYOLNOAJOKLGSS-HNNXBMFYSA-N 1 3 318.421 0.897 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000341996964 279279187 /nfs/dbraw/zinc/27/91/87/279279187.db2.gz DROVPSSPZNIFRJ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@@H](NCCN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1C ZINC000548485263 288147709 /nfs/dbraw/zinc/14/77/09/288147709.db2.gz HZHOYHJKCDVZON-OLZOCXBDSA-N 1 3 308.426 0.923 20 0 DCADHO C[C@@H]1C[C@@H](NCCN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000548485263 288147711 /nfs/dbraw/zinc/14/77/11/288147711.db2.gz HZHOYHJKCDVZON-OLZOCXBDSA-N 1 3 308.426 0.923 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353802180 280086580 /nfs/dbraw/zinc/08/65/80/280086580.db2.gz BNCAEJSVUYFMRC-YCPHGPKFSA-N 1 3 307.438 0.698 20 0 DCADHO CCN(CC(N)=O)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553558929 288302922 /nfs/dbraw/zinc/30/29/22/288302922.db2.gz XNDRBLYCIXVWJQ-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C(N)=O)c1 ZINC000556768356 288392785 /nfs/dbraw/zinc/39/27/85/288392785.db2.gz VAKVLPXPCGKXHH-UHFFFAOYSA-N 1 3 321.425 0.743 20 0 DCADHO CC(=O)N1CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000556889549 288402299 /nfs/dbraw/zinc/40/22/99/288402299.db2.gz YTKHJTNFGWCCLZ-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000558997051 288463754 /nfs/dbraw/zinc/46/37/54/288463754.db2.gz CVYMKLRVPZGRQS-UHFFFAOYSA-N 1 3 312.458 0.197 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419807971 289290521 /nfs/dbraw/zinc/29/05/21/289290521.db2.gz UDEVDEZJJCMSGR-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000415140495 295216548 /nfs/dbraw/zinc/21/65/48/295216548.db2.gz UBVDIRJSKDMMPG-ZFWWWQNUSA-N 1 3 302.422 0.574 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000333841966 295647892 /nfs/dbraw/zinc/64/78/92/295647892.db2.gz OJZAUGXZTUUFHY-OAHLLOKOSA-N 1 3 309.458 0.161 20 0 DCADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262550891 303757996 /nfs/dbraw/zinc/75/79/96/303757996.db2.gz TUBXXNCKICFVER-QWHCGFSZSA-N 1 3 313.467 0.187 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000570969818 333471499 /nfs/dbraw/zinc/47/14/99/333471499.db2.gz AJFJUNQTCNWKKC-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)C2)CC1 ZINC000571083040 333658688 /nfs/dbraw/zinc/65/86/88/333658688.db2.gz ZGMUUUIANBQEAX-NVXWUHKLSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000577076794 341883970 /nfs/dbraw/zinc/88/39/70/341883970.db2.gz LIAMYVGHLLVOOW-MELADBBJSA-N 1 3 318.487 0.507 20 0 DCADHO N[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000577174259 341894301 /nfs/dbraw/zinc/89/43/01/341894301.db2.gz WNCWZOYNOQBYAV-CFVMTHIKSA-N 1 3 322.453 0.221 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000577489285 341912259 /nfs/dbraw/zinc/91/22/59/341912259.db2.gz PORZVEKPIGOZEA-XYJFISCASA-N 1 3 323.481 0.975 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001449090575 1159743180 /nfs/dbraw/zinc/74/31/80/1159743180.db2.gz ZHYSFESMRUVVGC-KGLIPLIRSA-N 1 3 315.458 0.161 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365003972 521005925 /nfs/dbraw/zinc/00/59/25/521005925.db2.gz XZDAMVNMMFAHCV-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000237172123 521783974 /nfs/dbraw/zinc/78/39/74/521783974.db2.gz UWXBNILFMDRSKR-HNNXBMFYSA-N 1 3 318.421 0.204 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CC[NH2+]C3)ccc2oc1=O ZINC000236991294 521818215 /nfs/dbraw/zinc/81/82/15/521818215.db2.gz MNAADEHMSUEVHX-NSHDSACASA-N 1 3 318.377 0.704 20 0 DCADHO CC[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N(C)C ZINC000155644150 523786559 /nfs/dbraw/zinc/78/65/59/523786559.db2.gz VKKBNFSFBFNPCP-CQSZACIVSA-N 1 3 308.426 0.978 20 0 DCADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[C@H](F)CN2)cc1 ZINC000275533843 535903529 /nfs/dbraw/zinc/90/35/29/535903529.db2.gz NYHBSWKIFPBVOW-GOEBONIOSA-N 1 3 323.412 0.986 20 0 DCADHO CC[NH+](CC)CCNC(=O)NCCN1CCC(OC)CC1 ZINC000080054549 545687878 /nfs/dbraw/zinc/68/78/78/545687878.db2.gz FNMMONMQUBFGHZ-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@@H]1NCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H]1C ZINC000333835989 546094120 /nfs/dbraw/zinc/09/41/20/546094120.db2.gz UGZFMWQAVSRGRI-KBPBESRZSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@@H]1NCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1C ZINC000333835989 546094125 /nfs/dbraw/zinc/09/41/25/546094125.db2.gz UGZFMWQAVSRGRI-KBPBESRZSA-N 1 3 311.474 0.404 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000349048572 546157487 /nfs/dbraw/zinc/15/74/87/546157487.db2.gz HXPVXYLXRHMAMO-PMPSAXMXSA-N 1 3 321.396 0.766 20 0 DCADHO C[NH+](C)[C@@H]1CCN(CCn2cc(CCN3CCCCC3)nn2)C1 ZINC000656443838 546368705 /nfs/dbraw/zinc/36/87/05/546368705.db2.gz PSIXSHFHAOOPSZ-QGZVFWFLSA-N 1 3 320.485 0.942 20 0 DCADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285289 546376290 /nfs/dbraw/zinc/37/62/90/546376290.db2.gz ITBWQERKRXWISC-ZWNOBZJWSA-N 1 3 321.343 0.508 20 0 DCADHO CC[C@]1(O)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665761376 546394898 /nfs/dbraw/zinc/39/48/98/546394898.db2.gz AZNWLFQDPIMXSD-HOCLYGCPSA-N 1 3 314.474 0.815 20 0 DCADHO CC[C@]1(O)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665761376 546394900 /nfs/dbraw/zinc/39/49/00/546394900.db2.gz AZNWLFQDPIMXSD-HOCLYGCPSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(F)(F)CO ZINC000665760440 546395209 /nfs/dbraw/zinc/39/52/09/546395209.db2.gz IXAHGCHGGJVOMR-NSHDSACASA-N 1 3 310.389 0.185 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(F)(F)CO ZINC000665760440 546395214 /nfs/dbraw/zinc/39/52/14/546395214.db2.gz IXAHGCHGGJVOMR-NSHDSACASA-N 1 3 310.389 0.185 20 0 DCADHO CO[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764522 546398567 /nfs/dbraw/zinc/39/85/67/546398567.db2.gz HQRLTJDCWSBKRQ-GUTXKFCHSA-N 1 3 300.447 0.735 20 0 DCADHO CO[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764522 546398568 /nfs/dbraw/zinc/39/85/68/546398568.db2.gz HQRLTJDCWSBKRQ-GUTXKFCHSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)C1CCC1 ZINC000665764087 546398640 /nfs/dbraw/zinc/39/86/40/546398640.db2.gz UGPGLTBFMPCBNN-ZFWWWQNUSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)C1CCC1 ZINC000665764087 546398644 /nfs/dbraw/zinc/39/86/44/546398644.db2.gz UGPGLTBFMPCBNN-ZFWWWQNUSA-N 1 3 314.474 0.719 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666627599 546490449 /nfs/dbraw/zinc/49/04/49/546490449.db2.gz QKNFUSDAWDDKLW-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCc3ccc(O)cc3CC2)C1 ZINC000666689598 546497821 /nfs/dbraw/zinc/49/78/21/546497821.db2.gz OEYOIVUSEIEUOL-CQSZACIVSA-N 1 3 317.433 0.990 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCc3ccc(O)cc3CC2)C1 ZINC000666689598 546497823 /nfs/dbraw/zinc/49/78/23/546497823.db2.gz OEYOIVUSEIEUOL-CQSZACIVSA-N 1 3 317.433 0.990 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000666919723 546527338 /nfs/dbraw/zinc/52/73/38/546527338.db2.gz CJKLPTAPFHBTAK-GOEBONIOSA-N 1 3 324.469 0.711 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000666919723 546527339 /nfs/dbraw/zinc/52/73/39/546527339.db2.gz CJKLPTAPFHBTAK-GOEBONIOSA-N 1 3 324.469 0.711 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000668397880 546753799 /nfs/dbraw/zinc/75/37/99/546753799.db2.gz QTDKDLUEBNMPHN-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO OCCO[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)CCOC1 ZINC000668490861 546769898 /nfs/dbraw/zinc/76/98/98/546769898.db2.gz ZXUVBKQZIOZCBF-QGZVFWFLSA-N 1 3 321.421 0.808 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000668546167 546781634 /nfs/dbraw/zinc/78/16/34/546781634.db2.gz VBWBZLWJOMRRTJ-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000668546167 546781639 /nfs/dbraw/zinc/78/16/39/546781639.db2.gz VBWBZLWJOMRRTJ-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000668562746 546786054 /nfs/dbraw/zinc/78/60/54/546786054.db2.gz YURAFSVJCXYUPA-HNNXBMFYSA-N 1 3 318.421 0.673 20 0 DCADHO CCN(C(=O)C(=O)NCC[N@H+](C)C1CC1)[C@H]1CCN(CC)C1 ZINC000668656873 546812632 /nfs/dbraw/zinc/81/26/32/546812632.db2.gz FTMNFRUKZZIASX-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C(=O)C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CCN(CC)C1 ZINC000668656873 546812636 /nfs/dbraw/zinc/81/26/36/546812636.db2.gz FTMNFRUKZZIASX-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CCO1 ZINC000669406214 546967891 /nfs/dbraw/zinc/96/78/91/546967891.db2.gz UUHUDNSFBRQUEW-HOCLYGCPSA-N 1 3 320.437 0.876 20 0 DCADHO C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1 ZINC000669484178 546976470 /nfs/dbraw/zinc/97/64/70/546976470.db2.gz GYSMDXHVOLZQNL-KBPBESRZSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1 ZINC000669484178 546976473 /nfs/dbraw/zinc/97/64/73/546976473.db2.gz GYSMDXHVOLZQNL-KBPBESRZSA-N 1 3 309.458 0.158 20 0 DCADHO NC1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc2ccccc2C1 ZINC000669520768 546984887 /nfs/dbraw/zinc/98/48/87/546984887.db2.gz MGENALWPSQXPNV-NSHDSACASA-N 1 3 301.312 0.879 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000669530070 546985717 /nfs/dbraw/zinc/98/57/17/546985717.db2.gz PMKNTXJAUOEVQL-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@H](N2CC[C@]3(C2)CCCOC3)C1=O ZINC000671191824 547175719 /nfs/dbraw/zinc/17/57/19/547175719.db2.gz INTRBGFWIHMVEB-BBRMVZONSA-N 1 3 309.410 0.178 20 0 DCADHO C[C@@H]1COCC[C@@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673158110 547452830 /nfs/dbraw/zinc/45/28/30/547452830.db2.gz OMLCBTVJGLQPSJ-HUUCEWRRSA-N 1 3 314.474 0.794 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673524561 547498910 /nfs/dbraw/zinc/49/89/10/547498910.db2.gz YRZYRSQKNXLQHE-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CC[NH+](C)CC1 ZINC000673670753 547513062 /nfs/dbraw/zinc/51/30/62/547513062.db2.gz OYYNNOTYPCODGM-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC[NH+]1CCC(NC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000674325732 547582157 /nfs/dbraw/zinc/58/21/57/547582157.db2.gz CFNMZGLSODDZBE-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CCCN2CCOCC2)CC1 ZINC000678081083 547945297 /nfs/dbraw/zinc/94/52/97/547945297.db2.gz MMEGBAAHENWNOW-MRXNPFEDSA-N 1 3 324.469 0.123 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCCN2CCOCC2)CC1 ZINC000678081083 547945300 /nfs/dbraw/zinc/94/53/00/547945300.db2.gz MMEGBAAHENWNOW-MRXNPFEDSA-N 1 3 324.469 0.123 20 0 DCADHO COCCN(CCN(C)C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000679406484 548054073 /nfs/dbraw/zinc/05/40/73/548054073.db2.gz NKWPWVSWHLINLD-UHFFFAOYSA-N 1 3 308.426 0.945 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN(CC)CCO ZINC000681115078 548205247 /nfs/dbraw/zinc/20/52/47/548205247.db2.gz LGMPVXUDUBLEDZ-CQSZACIVSA-N 1 3 300.447 0.474 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000681208583 548217384 /nfs/dbraw/zinc/21/73/84/548217384.db2.gz DNCNVXSRQRCDNA-BRWVUGGUSA-N 1 3 316.449 0.557 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001673316253 1175189590 /nfs/dbraw/zinc/18/95/90/1175189590.db2.gz DDIPGNDHDNWZOK-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2CCN(C)CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000893538578 660490783 /nfs/dbraw/zinc/49/07/83/660490783.db2.gz ZFZRGXURRGFSGZ-GJZGRUSLSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2CCN(C)CCN(C)CC2)C[N@H+]1C1CC1 ZINC000893538578 660490784 /nfs/dbraw/zinc/49/07/84/660490784.db2.gz ZFZRGXURRGFSGZ-GJZGRUSLSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905338277 663550122 /nfs/dbraw/zinc/55/01/22/663550122.db2.gz OMGYEYVQGBWNCL-TZMCWYRMSA-N 1 3 303.472 0.588 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)c1 ZINC000980470254 660946793 /nfs/dbraw/zinc/94/67/93/660946793.db2.gz DOALAYNVNHCYHJ-MRXNPFEDSA-N 1 3 305.422 0.887 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)c1 ZINC000980470254 660946794 /nfs/dbraw/zinc/94/67/94/660946794.db2.gz DOALAYNVNHCYHJ-MRXNPFEDSA-N 1 3 305.422 0.887 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1)N1CCCCC1 ZINC000981091136 661076728 /nfs/dbraw/zinc/07/67/28/661076728.db2.gz KVUMDVIUFRFXSQ-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCCO)C2)N(C)C ZINC000981991925 661268395 /nfs/dbraw/zinc/26/83/95/661268395.db2.gz PJLPFYJDFJAOPR-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2)N(C)C ZINC000981991925 661268397 /nfs/dbraw/zinc/26/83/97/661268397.db2.gz PJLPFYJDFJAOPR-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO COCCC[N@H+](C)CCNC(=S)NC1CCN(C)CC1 ZINC000741503874 667772676 /nfs/dbraw/zinc/77/26/76/667772676.db2.gz XTTBILGJEMTTTP-UHFFFAOYSA-N 1 3 302.488 0.513 20 0 DCADHO COCCC[N@@H+](C)CCNC(=S)NC1CCN(C)CC1 ZINC000741503874 667772677 /nfs/dbraw/zinc/77/26/77/667772677.db2.gz XTTBILGJEMTTTP-UHFFFAOYSA-N 1 3 302.488 0.513 20 0 DCADHO CN(CCC(=O)N1CCN(C)CCN(C)CC1)c1cc[nH+]cc1 ZINC000888988360 657514663 /nfs/dbraw/zinc/51/46/63/657514663.db2.gz LSXSFOZNOYTBOX-UHFFFAOYSA-N 1 3 319.453 0.614 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001023124312 657535777 /nfs/dbraw/zinc/53/57/77/657535777.db2.gz FOFYCKCCEGHKMA-YHUYYLMFSA-N 1 3 319.453 0.993 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001023125430 657538548 /nfs/dbraw/zinc/53/85/48/657538548.db2.gz QAWZDUQMMSFKQZ-XDQVBPFNSA-N 1 3 320.441 0.425 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001023128580 657539948 /nfs/dbraw/zinc/53/99/48/657539948.db2.gz KXMHECYHUJCUEH-OWCLPIDISA-N 1 3 319.453 0.994 20 0 DCADHO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(N)ccn2)CCSC1 ZINC000891641329 657572386 /nfs/dbraw/zinc/57/23/86/657572386.db2.gz IZNLJLKOCJAXSX-CQSZACIVSA-N 1 3 309.439 0.900 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924486545 657676301 /nfs/dbraw/zinc/67/63/01/657676301.db2.gz QUCVFQDPLNAKJD-UKRRQHHQSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000924486545 657676306 /nfs/dbraw/zinc/67/63/06/657676306.db2.gz QUCVFQDPLNAKJD-UKRRQHHQSA-N 1 3 320.437 0.877 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000998721110 665510169 /nfs/dbraw/zinc/51/01/69/665510169.db2.gz LMHWFIOKJWIRAW-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000994916721 665521560 /nfs/dbraw/zinc/52/15/60/665521560.db2.gz UDKJYRIGLNKAMN-HNNXBMFYSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1)[NH+]1CCCC1 ZINC000969564313 657983978 /nfs/dbraw/zinc/98/39/78/657983978.db2.gz QOIQCUGBTQKGRG-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@H+](CC1CC1)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971969157 658106041 /nfs/dbraw/zinc/10/60/41/658106041.db2.gz KVAYBIREZCIGCR-LPMVOBIJSA-N 1 3 319.449 0.792 20 0 DCADHO C[N@@H+](CC1CC1)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971969157 658106045 /nfs/dbraw/zinc/10/60/45/658106045.db2.gz KVAYBIREZCIGCR-LPMVOBIJSA-N 1 3 319.449 0.792 20 0 DCADHO C[N@H+](CC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971969158 658106115 /nfs/dbraw/zinc/10/61/15/658106115.db2.gz KVAYBIREZCIGCR-NDUQDZPOSA-N 1 3 319.449 0.792 20 0 DCADHO C[N@@H+](CC1CC1)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971969158 658106118 /nfs/dbraw/zinc/10/61/18/658106118.db2.gz KVAYBIREZCIGCR-NDUQDZPOSA-N 1 3 319.449 0.792 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001020588834 658158777 /nfs/dbraw/zinc/15/87/77/658158777.db2.gz NUUYMWKDFJIVPY-RBSFLKMASA-N 1 3 319.453 0.541 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001020590440 658166273 /nfs/dbraw/zinc/16/62/73/658166273.db2.gz WTDHCXARIJEQLB-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000969815060 658176620 /nfs/dbraw/zinc/17/66/20/658176620.db2.gz OZBKZXOEUNCXCU-MRXNPFEDSA-N 1 3 317.437 0.817 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000892183784 658277597 /nfs/dbraw/zinc/27/75/97/658277597.db2.gz KWDSLLOZBSRKFH-KGLIPLIRSA-N 1 3 310.442 0.586 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001022711509 658351781 /nfs/dbraw/zinc/35/17/81/658351781.db2.gz ZRXQUSCFXYAZDU-MCIONIFRSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001022713304 658358925 /nfs/dbraw/zinc/35/89/25/658358925.db2.gz JZHJKBFPXVJGDV-BMFZPTHFSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001022712686 658359565 /nfs/dbraw/zinc/35/95/65/658359565.db2.gz XPHSOWFKPUVMSP-KBXIAJHMSA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001022716743 658373951 /nfs/dbraw/zinc/37/39/51/658373951.db2.gz HLEGVDSHZRMUDD-FRRDWIJNSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@@H]1C[NH3+] ZINC000926390288 658396346 /nfs/dbraw/zinc/39/63/46/658396346.db2.gz YKBOBVFOXOPGAI-HUUCEWRRSA-N 1 3 324.469 0.374 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892442836 658515281 /nfs/dbraw/zinc/51/52/81/658515281.db2.gz MEWAGHRIKVLVQX-HDJSIYSDSA-N 1 3 312.458 0.914 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC000970178647 658701844 /nfs/dbraw/zinc/70/18/44/658701844.db2.gz VXUMYLOLOIGMDT-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001024561677 658717909 /nfs/dbraw/zinc/71/79/09/658717909.db2.gz VHAVRBNWOIIXSL-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001024561677 658717910 /nfs/dbraw/zinc/71/79/10/658717910.db2.gz VHAVRBNWOIIXSL-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001021090991 658751558 /nfs/dbraw/zinc/75/15/58/658751558.db2.gz QAWZDUQMMSFKQZ-XUXIUFHCSA-N 1 3 320.441 0.425 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001021090992 658751982 /nfs/dbraw/zinc/75/19/82/658751982.db2.gz QAWZDUQMMSFKQZ-YXSUXZIUSA-N 1 3 320.441 0.425 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001021090992 658751985 /nfs/dbraw/zinc/75/19/85/658751985.db2.gz QAWZDUQMMSFKQZ-YXSUXZIUSA-N 1 3 320.441 0.425 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021094697 658752787 /nfs/dbraw/zinc/75/27/87/658752787.db2.gz YOTYPBRHNQPIKB-JOCQHMNTSA-N 1 3 304.394 0.084 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001021096448 658764444 /nfs/dbraw/zinc/76/44/44/658764444.db2.gz TWLUVJNDJYUJIO-UMVBOHGHSA-N 1 3 320.441 0.426 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000892530716 658826441 /nfs/dbraw/zinc/82/64/41/658826441.db2.gz VUTJNLAFOIADSX-MRXNPFEDSA-N 1 3 320.437 0.532 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC001022106391 658867030 /nfs/dbraw/zinc/86/70/30/658867030.db2.gz FPIDLAJQYYOOFF-LQKXBSAESA-N 1 3 319.453 0.887 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC001022106391 658867034 /nfs/dbraw/zinc/86/70/34/658867034.db2.gz FPIDLAJQYYOOFF-LQKXBSAESA-N 1 3 319.453 0.887 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891493329 658892598 /nfs/dbraw/zinc/89/25/98/658892598.db2.gz PUFSFXOBCNMEGG-NSHDSACASA-N 1 3 308.373 0.109 20 0 DCADHO [NH3+][C@@H]1CCCCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891513858 658898836 /nfs/dbraw/zinc/89/88/36/658898836.db2.gz IFYUEFONURDBIQ-KFWWJZLASA-N 1 3 310.442 0.763 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000891514189 658899384 /nfs/dbraw/zinc/89/93/84/658899384.db2.gz NRSAHUGJMWNGEW-MYMJJRTCSA-N 1 3 308.426 0.515 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001023025067 658920563 /nfs/dbraw/zinc/92/05/63/658920563.db2.gz SUQOWEQEIOTDPA-BETUJISGSA-N 1 3 319.409 0.120 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000999363931 665636834 /nfs/dbraw/zinc/63/68/34/665636834.db2.gz KYJOTQFJYJEMBU-OCCSQVGLSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)N3CCC3)C2)C1 ZINC000999403464 665640931 /nfs/dbraw/zinc/64/09/31/665640931.db2.gz PJDFXHGVPLXCEK-NFOMZHRRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999403594 665641580 /nfs/dbraw/zinc/64/15/80/665641580.db2.gz RNXWUEHLOHTPQN-RUXDESIVSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027215690 659086608 /nfs/dbraw/zinc/08/66/08/659086608.db2.gz LLETZXNLNQNLLL-KBPBESRZSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001027215690 659086614 /nfs/dbraw/zinc/08/66/14/659086614.db2.gz LLETZXNLNQNLLL-KBPBESRZSA-N 1 3 306.410 0.873 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000973958319 659088342 /nfs/dbraw/zinc/08/83/42/659088342.db2.gz KCIRNDXEUXJUOM-BYNSBNAKSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000973958319 659088349 /nfs/dbraw/zinc/08/83/49/659088349.db2.gz KCIRNDXEUXJUOM-BYNSBNAKSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1nnsc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217735 659089540 /nfs/dbraw/zinc/08/95/40/659089540.db2.gz PPYBXCTXZLZIGW-ZDUSSCGKSA-N 1 3 323.466 0.880 20 0 DCADHO CN1CCC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217906 659089615 /nfs/dbraw/zinc/08/96/15/659089615.db2.gz RWCIMONCYNHTSD-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCN3C)C2)C1 ZINC000973966137 659094383 /nfs/dbraw/zinc/09/43/83/659094383.db2.gz RAABXSWZSOFPMW-APIJFGDWSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCN3C)C2)C1 ZINC000973966137 659094388 /nfs/dbraw/zinc/09/43/88/659094388.db2.gz RAABXSWZSOFPMW-APIJFGDWSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC000893221577 659109062 /nfs/dbraw/zinc/10/90/62/659109062.db2.gz NDSZUYDKCRGLMA-LVQVYYBASA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC000893221577 659109065 /nfs/dbraw/zinc/10/90/65/659109065.db2.gz NDSZUYDKCRGLMA-LVQVYYBASA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CCO ZINC000939805849 665647809 /nfs/dbraw/zinc/64/78/09/665647809.db2.gz BPAKJJUBJVXUPD-CZUORRHYSA-N 1 3 305.422 0.791 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000999467556 665648789 /nfs/dbraw/zinc/64/87/89/665648789.db2.gz BEFKERKZFUFJRI-DNOWBOINSA-N 1 3 306.410 0.958 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999472722 665649013 /nfs/dbraw/zinc/64/90/13/665649013.db2.gz KEBKOJSZCYZECQ-UHFFFAOYSA-N 1 3 306.410 0.958 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999571879 665658597 /nfs/dbraw/zinc/65/85/97/665658597.db2.gz BBXOOIFVYJWOAY-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999571879 665658600 /nfs/dbraw/zinc/65/86/00/665658600.db2.gz BBXOOIFVYJWOAY-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]([NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1)C(N)=O ZINC001026598646 659407847 /nfs/dbraw/zinc/40/78/47/659407847.db2.gz RDYIGMKQNJHNQM-WXRRBKDZSA-N 1 3 321.425 0.542 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892943385 659538267 /nfs/dbraw/zinc/53/82/67/659538267.db2.gz FPZITHJMTVDCMS-OAHLLOKOSA-N 1 3 324.469 0.977 20 0 DCADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025798705 659565966 /nfs/dbraw/zinc/56/59/66/659565966.db2.gz JATRJVPTFQWZAY-UUAJXVIYSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025798705 659565978 /nfs/dbraw/zinc/56/59/78/659565978.db2.gz JATRJVPTFQWZAY-UUAJXVIYSA-N 1 3 321.465 0.942 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025808940 659568553 /nfs/dbraw/zinc/56/85/53/659568553.db2.gz BUXRXQBYHDXHPQ-NRKLIOEPSA-N 1 3 321.465 0.944 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025808940 659568557 /nfs/dbraw/zinc/56/85/57/659568557.db2.gz BUXRXQBYHDXHPQ-NRKLIOEPSA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1)C1CC1 ZINC001026886949 659626922 /nfs/dbraw/zinc/62/69/22/659626922.db2.gz IKGKMZWMOOHUQD-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC001026887480 659627792 /nfs/dbraw/zinc/62/77/92/659627792.db2.gz PTKYOALIBCRUHZ-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999845912 665691155 /nfs/dbraw/zinc/69/11/55/665691155.db2.gz AHXZTCOPRJQOEU-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000999845912 665691157 /nfs/dbraw/zinc/69/11/57/665691157.db2.gz AHXZTCOPRJQOEU-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001027068718 659755764 /nfs/dbraw/zinc/75/57/64/659755764.db2.gz BZUNYOOJJZFEDN-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028314579 661454674 /nfs/dbraw/zinc/45/46/74/661454674.db2.gz WGEJGWOAKQGIAP-GDBMZVCRSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028314579 661454675 /nfs/dbraw/zinc/45/46/75/661454675.db2.gz WGEJGWOAKQGIAP-GDBMZVCRSA-N 1 3 319.453 0.495 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001000197590 665772044 /nfs/dbraw/zinc/77/20/44/665772044.db2.gz ITDKXGXANJYCBF-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](CCO)C[C@]3(C)C2)C1 ZINC000982557235 661566755 /nfs/dbraw/zinc/56/67/55/661566755.db2.gz OENWGYSUQWZXRO-OIISXLGYSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](CCO)C[C@]3(C)C2)C1 ZINC000982557235 661566759 /nfs/dbraw/zinc/56/67/59/661566759.db2.gz OENWGYSUQWZXRO-OIISXLGYSA-N 1 3 309.454 0.491 20 0 DCADHO CC(C)[C@H](CNC(=S)NCC[NH+](C)C)N1CCN(C)CC1 ZINC000874068586 668145175 /nfs/dbraw/zinc/14/51/75/668145175.db2.gz MPLVLEVPXNORCR-AWEZNQCLSA-N 1 3 315.531 0.284 20 0 DCADHO CN1CCN(CC[NH2+]C2CC(S(C)(=O)=O)C2)CC1(C)C ZINC000894252940 661735021 /nfs/dbraw/zinc/73/50/21/661735021.db2.gz DDMFVUSZAYKWIB-UHFFFAOYSA-N 1 3 303.472 0.178 20 0 DCADHO CNC(=O)CN1CC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001028662078 661735771 /nfs/dbraw/zinc/73/57/71/661735771.db2.gz SKGMJEHZUFGIBS-GFCCVEGCSA-N 1 3 315.377 0.132 20 0 DCADHO CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001028662078 661735775 /nfs/dbraw/zinc/73/57/75/661735775.db2.gz SKGMJEHZUFGIBS-GFCCVEGCSA-N 1 3 315.377 0.132 20 0 DCADHO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccn3cncc3c2)C1 ZINC001028662078 661735778 /nfs/dbraw/zinc/73/57/78/661735778.db2.gz SKGMJEHZUFGIBS-GFCCVEGCSA-N 1 3 315.377 0.132 20 0 DCADHO Cn1nc2c(c1CNCCCC[N@@H+]1CCC[C@H]1CO)COCC2 ZINC000921720843 665792917 /nfs/dbraw/zinc/79/29/17/665792917.db2.gz MOWDYPWIKLFIIR-AWEZNQCLSA-N 1 3 322.453 0.819 20 0 DCADHO Cn1nc2c(c1CNCCCC[N@H+]1CCC[C@H]1CO)COCC2 ZINC000921720843 665792919 /nfs/dbraw/zinc/79/29/19/665792919.db2.gz MOWDYPWIKLFIIR-AWEZNQCLSA-N 1 3 322.453 0.819 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028699245 661765967 /nfs/dbraw/zinc/76/59/67/661765967.db2.gz VZZQSDCDOMFFGH-JBCIKUTRSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028699245 661765968 /nfs/dbraw/zinc/76/59/68/661765968.db2.gz VZZQSDCDOMFFGH-JBCIKUTRSA-N 1 3 321.465 0.944 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000895602748 662197966 /nfs/dbraw/zinc/19/79/66/662197966.db2.gz DHETWDDLGQLDLY-FZKCQIBNSA-N 1 3 324.469 0.567 20 0 DCADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000896043115 662238470 /nfs/dbraw/zinc/23/84/70/662238470.db2.gz MFUYBZZURCNLSZ-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000896043115 662238471 /nfs/dbraw/zinc/23/84/71/662238471.db2.gz MFUYBZZURCNLSZ-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896565417 662292175 /nfs/dbraw/zinc/29/21/75/662292175.db2.gz UWAAYSNIFBTHOT-HIFRSBDPSA-N 1 3 307.442 0.722 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896565417 662292177 /nfs/dbraw/zinc/29/21/77/662292177.db2.gz UWAAYSNIFBTHOT-HIFRSBDPSA-N 1 3 307.442 0.722 20 0 DCADHO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCCCC1 ZINC000320438853 662355670 /nfs/dbraw/zinc/35/56/70/662355670.db2.gz BWIVGUZDSCTSBE-CYBMUJFWSA-N 1 3 320.441 0.807 20 0 DCADHO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001029673168 662447641 /nfs/dbraw/zinc/44/76/41/662447641.db2.gz WSSRCGQABLGVHA-GDBMZVCRSA-N 1 3 319.453 0.795 20 0 DCADHO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001029673168 662447643 /nfs/dbraw/zinc/44/76/43/662447643.db2.gz WSSRCGQABLGVHA-GDBMZVCRSA-N 1 3 319.453 0.795 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985803080 662515308 /nfs/dbraw/zinc/51/53/08/662515308.db2.gz APTZJACQECRXBE-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985803080 662515309 /nfs/dbraw/zinc/51/53/09/662515309.db2.gz APTZJACQECRXBE-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986832822 662623119 /nfs/dbraw/zinc/62/31/19/662623119.db2.gz YIHFUXSNDKAYIG-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360284 662671992 /nfs/dbraw/zinc/67/19/92/662671992.db2.gz UHBGWWSVZFNUQE-ZFWWWQNUSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN1CCCC1 ZINC000987515133 662683384 /nfs/dbraw/zinc/68/33/84/662683384.db2.gz AIEWEGMSSINCSD-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN1CCCC1 ZINC000987515081 662683427 /nfs/dbraw/zinc/68/34/27/662683427.db2.gz AIEWEGMSSINCSD-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000897507762 662796132 /nfs/dbraw/zinc/79/61/32/662796132.db2.gz GJGASYXBLXGQET-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000897507762 662796133 /nfs/dbraw/zinc/79/61/33/662796133.db2.gz GJGASYXBLXGQET-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H]1C[C@H](NCc2cncn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989387994 662909124 /nfs/dbraw/zinc/90/91/24/662909124.db2.gz DBIAVDRXYNFBHM-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO CCOC(=O)N1C[C@@H](CO)[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000898350463 662950182 /nfs/dbraw/zinc/95/01/82/662950182.db2.gz ITKRUIDYIXWTIQ-SWLSCSKDSA-N 1 3 311.426 0.652 20 0 DCADHO C[C@@H]1C[C@@H](NCCF)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000989544307 662957207 /nfs/dbraw/zinc/95/72/07/662957207.db2.gz QPBBDEHCLGPBQR-TZMCWYRMSA-N 1 3 311.405 0.607 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000989797732 662980123 /nfs/dbraw/zinc/98/01/23/662980123.db2.gz ZWOWRFCJUDEUOP-HOCLYGCPSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000989826546 662982452 /nfs/dbraw/zinc/98/24/52/662982452.db2.gz PFBGQWAXBDMHQC-SWLSCSKDSA-N 1 3 318.421 0.426 20 0 DCADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000990276448 663027966 /nfs/dbraw/zinc/02/79/66/663027966.db2.gz JHTFBLGSSBQNPK-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccsc1 ZINC000900135872 663218483 /nfs/dbraw/zinc/21/84/83/663218483.db2.gz CHLLVRPNJZWDOW-GUTXKFCHSA-N 1 3 311.451 0.922 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccsc1 ZINC000900135872 663218484 /nfs/dbraw/zinc/21/84/84/663218484.db2.gz CHLLVRPNJZWDOW-GUTXKFCHSA-N 1 3 311.451 0.922 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900408944 663242178 /nfs/dbraw/zinc/24/21/78/663242178.db2.gz BLAJDSQZAJGPSO-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900408944 663242181 /nfs/dbraw/zinc/24/21/81/663242181.db2.gz BLAJDSQZAJGPSO-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000921284 665962393 /nfs/dbraw/zinc/96/23/93/665962393.db2.gz XORPJMMBGNWQDO-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000921284 665962394 /nfs/dbraw/zinc/96/23/94/665962394.db2.gz XORPJMMBGNWQDO-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO O=S(=O)(NC1CC2CCC1[NH2+]2)c1cnn(C2CCOC2)c1 ZINC000903564290 663464664 /nfs/dbraw/zinc/46/46/64/663464664.db2.gz UQQJLWPYORNILP-RSLMWUCJSA-N 1 3 312.395 0.016 20 0 DCADHO CC(C)C(=O)NC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723031 663475253 /nfs/dbraw/zinc/47/52/53/663475253.db2.gz SEGQYYJACLULMU-WBVHZDCISA-N 1 3 309.454 0.992 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903746888 663476866 /nfs/dbraw/zinc/47/68/66/663476866.db2.gz MYOBVWOAQDGXBX-CBBWQLFWSA-N 1 3 311.426 0.110 20 0 DCADHO O=C1OCCN1[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765182 663480947 /nfs/dbraw/zinc/48/09/47/663480947.db2.gz FGUVZNVCFGTZKD-ZIAGYGMSSA-N 1 3 309.410 0.672 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(C3OCCO3)CC2)cnn1C ZINC000903888591 663489956 /nfs/dbraw/zinc/48/99/56/663489956.db2.gz GSOJIYGGMSTRMX-AWEZNQCLSA-N 1 3 322.453 0.931 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905014666 663524009 /nfs/dbraw/zinc/52/40/09/663524009.db2.gz ZCPQDGSACVHTMB-QGZVFWFLSA-N 1 3 322.453 0.285 20 0 DCADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C1(O)CCCC1 ZINC000905127643 663534283 /nfs/dbraw/zinc/53/42/83/663534283.db2.gz MGCPPJRWYDATNV-GOEBONIOSA-N 1 3 312.454 0.743 20 0 DCADHO O[C@H](C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)CN1CCCC1 ZINC000905344463 663546875 /nfs/dbraw/zinc/54/68/75/663546875.db2.gz JCWREAKJXCRSBD-GVDBMIGSSA-N 1 3 308.422 0.517 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906656389 663627515 /nfs/dbraw/zinc/62/75/15/663627515.db2.gz GHLQFCUDMIEDJR-NHYWBVRUSA-N 1 3 316.405 0.683 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000907719120 663714268 /nfs/dbraw/zinc/71/42/68/663714268.db2.gz TXNRSSNLOSRYDZ-XUXIUFHCSA-N 1 3 314.474 0.676 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)N(C)C ZINC001011664554 663837788 /nfs/dbraw/zinc/83/77/88/663837788.db2.gz XDVAKUKGPAABGZ-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)N(C)C ZINC001011664554 663837791 /nfs/dbraw/zinc/83/77/91/663837791.db2.gz XDVAKUKGPAABGZ-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000910958112 663958648 /nfs/dbraw/zinc/95/86/48/663958648.db2.gz MPOHAMPRGRZPJW-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCC(C)CC1 ZINC000911091124 663980826 /nfs/dbraw/zinc/98/08/26/663980826.db2.gz OAOUSZKJBAXKQC-APIJFGDWSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911161251 663995298 /nfs/dbraw/zinc/99/52/98/663995298.db2.gz JNHZEOXTIASSBR-MJBXVCDLSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911211278 664005768 /nfs/dbraw/zinc/00/57/68/664005768.db2.gz UKRXGHKBTWUONP-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)C1=CCN(C)CC1 ZINC000911219477 664007360 /nfs/dbraw/zinc/00/73/60/664007360.db2.gz NWONSSARCWSHFR-VNHYZAJKSA-N 1 3 322.453 0.196 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324434 664028053 /nfs/dbraw/zinc/02/80/53/664028053.db2.gz COIYEMYNVCVLFH-XGUBFFRZSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911487601 664064088 /nfs/dbraw/zinc/06/40/88/664064088.db2.gz WJPMFOKMNNDFJK-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911531443 664070138 /nfs/dbraw/zinc/07/01/38/664070138.db2.gz HEADDTXTKSVZMR-GFCCVEGCSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000911535010 664071104 /nfs/dbraw/zinc/07/11/04/664071104.db2.gz XVHHPWAURSVTHU-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911520769 664073823 /nfs/dbraw/zinc/07/38/23/664073823.db2.gz KFIIVWYSTFUBRX-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911544143 664075450 /nfs/dbraw/zinc/07/54/50/664075450.db2.gz GIKXAUXEVOMVGA-KFWWJZLASA-N 1 3 322.453 0.582 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000911544143 664075451 /nfs/dbraw/zinc/07/54/51/664075451.db2.gz GIKXAUXEVOMVGA-KFWWJZLASA-N 1 3 322.453 0.582 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NCC[NH2+]C3CC3)ccc2NC1=O ZINC000911751693 664105869 /nfs/dbraw/zinc/10/58/69/664105869.db2.gz BNIJJMNYXTZJJF-ZDUSSCGKSA-N 1 3 302.378 0.380 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991477707 664359489 /nfs/dbraw/zinc/35/94/89/664359489.db2.gz HLORKZOBVBDZHA-CABCVRRESA-N 1 3 322.453 0.280 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991477707 664359492 /nfs/dbraw/zinc/35/94/92/664359492.db2.gz HLORKZOBVBDZHA-CABCVRRESA-N 1 3 322.453 0.280 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@H]3C2)CCC1 ZINC000992722887 664761261 /nfs/dbraw/zinc/76/12/61/664761261.db2.gz SQVPHSCWWOWUDL-KKUMJFAQSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCn3cccn3)CC2)CC[N@@H+]1C ZINC001002861215 666234435 /nfs/dbraw/zinc/23/44/35/666234435.db2.gz WHVUNVPGIIZACM-GDBMZVCRSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCn3cccn3)CC2)CC[N@H+]1C ZINC001002861215 666234436 /nfs/dbraw/zinc/23/44/36/666234436.db2.gz WHVUNVPGIIZACM-GDBMZVCRSA-N 1 3 319.453 0.804 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1)N(C)C ZINC000946642428 666575266 /nfs/dbraw/zinc/57/52/66/666575266.db2.gz JDRMQWCTJPRAJC-CAOSSQGBSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1)N(C)C ZINC000946642428 666575267 /nfs/dbraw/zinc/57/52/67/666575267.db2.gz JDRMQWCTJPRAJC-CAOSSQGBSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995802019 666707605 /nfs/dbraw/zinc/70/76/05/666707605.db2.gz MPBOGBKACKPSTC-STQMWFEESA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995802019 666707607 /nfs/dbraw/zinc/70/76/07/666707607.db2.gz MPBOGBKACKPSTC-STQMWFEESA-N 1 3 310.442 0.171 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995913227 666721525 /nfs/dbraw/zinc/72/15/25/666721525.db2.gz GSLUZBRBVOMFIX-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995913227 666721526 /nfs/dbraw/zinc/72/15/26/666721526.db2.gz GSLUZBRBVOMFIX-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000996442742 666786622 /nfs/dbraw/zinc/78/66/22/666786622.db2.gz IHZYAPVQNFVLOY-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000996442742 666786624 /nfs/dbraw/zinc/78/66/24/666786624.db2.gz IHZYAPVQNFVLOY-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]Cc2nccn2C)CC1)C1CCC1 ZINC000996666341 666851480 /nfs/dbraw/zinc/85/14/80/666851480.db2.gz QOLLOAHGNFVKBQ-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+][C@H]3CCN(C)C3=O)CC2)CCC1 ZINC000996667129 666851902 /nfs/dbraw/zinc/85/19/02/666851902.db2.gz SYDLMKVEDJMUTG-AWEZNQCLSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CCN(CCO)CC2)C1 ZINC001005493488 666891771 /nfs/dbraw/zinc/89/17/71/666891771.db2.gz SCWIJCKAWHDWHQ-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2CCN(CCO)CC2)C1 ZINC001005493488 666891774 /nfs/dbraw/zinc/89/17/74/666891774.db2.gz SCWIJCKAWHDWHQ-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC1 ZINC000861712147 666963124 /nfs/dbraw/zinc/96/31/24/666963124.db2.gz KCAHSBJOJIMTJE-HOTGVXAUSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CCCCC1 ZINC000861728833 666967487 /nfs/dbraw/zinc/96/74/87/666967487.db2.gz LOUGMTAAJSGEDP-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000861732920 666968859 /nfs/dbraw/zinc/96/88/59/666968859.db2.gz NCSNMIXBUVLDAM-UKRRQHHQSA-N 1 3 320.437 0.081 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC000997004440 667068395 /nfs/dbraw/zinc/06/83/95/667068395.db2.gz CTUVDJSEJIFVAK-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034883704 667169693 /nfs/dbraw/zinc/16/96/93/667169693.db2.gz WFLJSDYKBAXTTG-CVEARBPZSA-N 1 3 319.453 0.903 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCc2ccnn2C)C1 ZINC001035049426 667228626 /nfs/dbraw/zinc/22/86/26/667228626.db2.gz OLSPPRAXNQCVJR-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCc2ccnn2C)C1 ZINC001035049426 667228630 /nfs/dbraw/zinc/22/86/30/667228630.db2.gz OLSPPRAXNQCVJR-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO COc1cc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000997297199 667239536 /nfs/dbraw/zinc/23/95/36/667239536.db2.gz CPDWNKIEUJFCQN-LBPRGKRZSA-N 1 3 322.409 0.716 20 0 DCADHO COc1cc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000997297199 667239538 /nfs/dbraw/zinc/23/95/38/667239538.db2.gz CPDWNKIEUJFCQN-LBPRGKRZSA-N 1 3 322.409 0.716 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CCO)C2)CC1)N(C)C ZINC001035196291 667266131 /nfs/dbraw/zinc/26/61/31/667266131.db2.gz CSSBZXZWJQXTNP-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001035196291 667266133 /nfs/dbraw/zinc/26/61/33/667266133.db2.gz CSSBZXZWJQXTNP-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO COCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231816 667277010 /nfs/dbraw/zinc/27/70/10/667277010.db2.gz SLYVKZGKIVYCTE-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO COCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231816 667277011 /nfs/dbraw/zinc/27/70/11/667277011.db2.gz SLYVKZGKIVYCTE-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254503 667282316 /nfs/dbraw/zinc/28/23/16/667282316.db2.gz JRQKUEZIVJMLPA-CQSZACIVSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254503 667282318 /nfs/dbraw/zinc/28/23/18/667282318.db2.gz JRQKUEZIVJMLPA-CQSZACIVSA-N 1 3 322.453 0.271 20 0 DCADHO CN1CCC(NC(=S)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000865243510 667315520 /nfs/dbraw/zinc/31/55/20/667315520.db2.gz PPMDPMCNICAHHN-ZDUSSCGKSA-N 1 3 314.499 0.390 20 0 DCADHO CN1CCC(NC(=S)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000865243510 667315523 /nfs/dbraw/zinc/31/55/23/667315523.db2.gz PPMDPMCNICAHHN-ZDUSSCGKSA-N 1 3 314.499 0.390 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997614518 667348946 /nfs/dbraw/zinc/34/89/46/667348946.db2.gz RASPDAQSJWWKLR-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC3([NH+](C)C)CC3)CC2)CC1 ZINC000922981248 667455579 /nfs/dbraw/zinc/45/55/79/667455579.db2.gz KFUGCIAADJRHTH-UHFFFAOYSA-N 1 3 323.485 0.502 20 0 DCADHO COCC[C@H]([NH3+])C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000884232403 667506087 /nfs/dbraw/zinc/50/60/87/667506087.db2.gz QIEBAGMWLZBZJM-OLZOCXBDSA-N 1 3 307.394 0.706 20 0 DCADHO COCC[C@H]([NH3+])C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000884232405 667506156 /nfs/dbraw/zinc/50/61/56/667506156.db2.gz QIEBAGMWLZBZJM-STQMWFEESA-N 1 3 307.394 0.706 20 0 DCADHO C[C@H]1NCCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@@H]1C ZINC000884272039 667512368 /nfs/dbraw/zinc/51/23/68/667512368.db2.gz OXUPMYOVZADGKI-CHWSQXEVSA-N 1 3 303.410 0.314 20 0 DCADHO N[C@@H](CC1CC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280109 667514523 /nfs/dbraw/zinc/51/45/23/667514523.db2.gz BKCORUYMATVZGC-QWRGUYRKSA-N 1 3 308.348 0.066 20 0 DCADHO COCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000884401725 667538280 /nfs/dbraw/zinc/53/82/80/667538280.db2.gz ZHBHJUCLFWFRMB-HOTGVXAUSA-N 1 3 321.421 0.233 20 0 DCADHO COCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000884401725 667538283 /nfs/dbraw/zinc/53/82/83/667538283.db2.gz ZHBHJUCLFWFRMB-HOTGVXAUSA-N 1 3 321.421 0.233 20 0 DCADHO CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CCN(CCO)CC1 ZINC001006120778 667551229 /nfs/dbraw/zinc/55/12/29/667551229.db2.gz RNKAZHVXQXIHBA-HOTGVXAUSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CCN(CCO)CC1 ZINC001006120778 667551232 /nfs/dbraw/zinc/55/12/32/667551232.db2.gz RNKAZHVXQXIHBA-HOTGVXAUSA-N 1 3 309.454 0.918 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCNCCC23CCC3)CCC1 ZINC000884529221 667561724 /nfs/dbraw/zinc/56/17/24/667561724.db2.gz JQJMXLCESHRHQZ-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCCNCC3)CC2)CC1 ZINC000868386580 667563348 /nfs/dbraw/zinc/56/33/48/667563348.db2.gz JDKXZSSKCNNIEZ-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CCC1(C)C ZINC000868404771 667566409 /nfs/dbraw/zinc/56/64/09/667566409.db2.gz FZVAOEVLALDPIF-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CCC1(C)C ZINC000868403901 667566451 /nfs/dbraw/zinc/56/64/51/667566451.db2.gz AUHXTHCZDBMIIV-AWEZNQCLSA-N 1 3 324.469 0.659 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCC1(C)C ZINC000868404285 667566633 /nfs/dbraw/zinc/56/66/33/667566633.db2.gz CDJVQCXYWHFTEZ-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC1(C)C ZINC000868407641 667567788 /nfs/dbraw/zinc/56/77/88/667567788.db2.gz ZGGYSCQCIFLLOK-DYVFJYSZSA-N 1 3 322.453 0.269 20 0 DCADHO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)C2CNC2)cc1 ZINC000923582666 667572224 /nfs/dbraw/zinc/57/22/24/667572224.db2.gz MPNIJXRPNJZLGX-UHFFFAOYSA-N 1 3 311.451 0.920 20 0 DCADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884776408 667605673 /nfs/dbraw/zinc/60/56/73/667605673.db2.gz ROFRGZGIYYSTSO-LXTVHRRPSA-N 1 3 320.437 0.082 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CCCCCC[NH3+])C1 ZINC000884786966 667607159 /nfs/dbraw/zinc/60/71/59/667607159.db2.gz BUXWNIFKZDALHA-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000745802336 667855770 /nfs/dbraw/zinc/85/57/70/667855770.db2.gz KSJMEUKKRWVJPJ-KBXIAJHMSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[N@H+]1C ZINC000745802336 667855775 /nfs/dbraw/zinc/85/57/75/667855775.db2.gz KSJMEUKKRWVJPJ-KBXIAJHMSA-N 1 3 310.442 0.632 20 0 DCADHO COC(=O)CC1(NC[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000749438085 667955318 /nfs/dbraw/zinc/95/53/18/667955318.db2.gz YWWURELEIVYNIO-ZDUSSCGKSA-N 1 3 300.399 0.145 20 0 DCADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000873263163 668070840 /nfs/dbraw/zinc/07/08/40/668070840.db2.gz SVAKLBBLWZUQPB-HIFRSBDPSA-N 1 3 311.451 0.854 20 0 DCADHO CCOC(=O)[C@@H]1NCC[C@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294029 668073180 /nfs/dbraw/zinc/07/31/80/668073180.db2.gz PLACGWOIDOTIBM-MGPQQGTHSA-N 1 3 311.426 0.028 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924775806 668236909 /nfs/dbraw/zinc/23/69/09/668236909.db2.gz AKAPEMJKXPRDEM-UONOGXRCSA-N 1 3 310.442 0.836 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924775806 668236914 /nfs/dbraw/zinc/23/69/14/668236914.db2.gz AKAPEMJKXPRDEM-UONOGXRCSA-N 1 3 310.442 0.836 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926336687 668395839 /nfs/dbraw/zinc/39/58/39/668395839.db2.gz ZWNSOETXDAMWBJ-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1CN(CCCN2CCOC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764464374 668449029 /nfs/dbraw/zinc/44/90/29/668449029.db2.gz CFCYPRVVEIGXSZ-HZPDHXFCSA-N 1 3 324.469 0.787 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)c2c(C[NH3+])cnn2C)C[C@@H](C)O1 ZINC000876730621 668497912 /nfs/dbraw/zinc/49/79/12/668497912.db2.gz IBAWSOCQWFKMHG-CHWSQXEVSA-N 1 3 323.441 0.498 20 0 DCADHO COC[C@]1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCC[NH2+]1 ZINC000876743454 668500177 /nfs/dbraw/zinc/50/01/77/668500177.db2.gz CSTNMEVUTAELDR-FMKPAKJESA-N 1 3 311.426 0.125 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876777920 668508522 /nfs/dbraw/zinc/50/85/22/668508522.db2.gz SQQJAQAPAJLULE-HIFRSBDPSA-N 1 3 315.433 0.940 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876878941 668526035 /nfs/dbraw/zinc/52/60/35/668526035.db2.gz DYBISMNAYWDAIL-DZGCQCFKSA-N 1 3 308.401 0.919 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3CCC[NH2+]3)c2)nn1 ZINC000877208024 668576880 /nfs/dbraw/zinc/57/68/80/668576880.db2.gz QVGSFFMDXLXDPD-AWEZNQCLSA-N 1 3 300.366 0.094 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207534 668577080 /nfs/dbraw/zinc/57/70/80/668577080.db2.gz ZWWHURJCUBATDJ-GFCCVEGCSA-N 1 3 316.409 0.730 20 0 DCADHO CN1CCN(C2CCN(C(=O)/C=C/[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000877249632 668583175 /nfs/dbraw/zinc/58/31/75/668583175.db2.gz BFNUHBSFBIKWJW-APHBUQMISA-N 1 3 320.481 0.781 20 0 DCADHO CN1CCN(C2CCN(C(=O)C3([NH3+])CC4(CCC4)C3)CC2)CC1 ZINC000877251295 668584053 /nfs/dbraw/zinc/58/40/53/668584053.db2.gz MBTPCDRXKUYODD-UHFFFAOYSA-N 1 3 320.481 0.886 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928554073 668597590 /nfs/dbraw/zinc/59/75/90/668597590.db2.gz PBYSLIIWIPBWFQ-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928554073 668597591 /nfs/dbraw/zinc/59/75/91/668597591.db2.gz PBYSLIIWIPBWFQ-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928554073 668597596 /nfs/dbraw/zinc/59/75/96/668597596.db2.gz PBYSLIIWIPBWFQ-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928554073 668597597 /nfs/dbraw/zinc/59/75/97/668597597.db2.gz PBYSLIIWIPBWFQ-LXTVHRRPSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)[NH+]1CCC(CCNS(=O)(=O)N2CCNCC2)CC1 ZINC000923665530 668673545 /nfs/dbraw/zinc/67/35/45/668673545.db2.gz BFYZUWAHSQHLQD-UHFFFAOYSA-N 1 3 318.487 0.237 20 0 DCADHO C[NH+]1CCC(OCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000931184254 669150996 /nfs/dbraw/zinc/15/09/96/669150996.db2.gz AHFYRVXNNQLPDI-UKRRQHHQSA-N 1 3 311.426 0.077 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000931439776 669204892 /nfs/dbraw/zinc/20/48/92/669204892.db2.gz ZWJIOJQBIHEEKA-JKIFEVAISA-N 1 3 303.406 0.243 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000931439776 669204893 /nfs/dbraw/zinc/20/48/93/669204893.db2.gz ZWJIOJQBIHEEKA-JKIFEVAISA-N 1 3 303.406 0.243 20 0 DCADHO CCN1CC[C@@H]1CNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000882483875 669530607 /nfs/dbraw/zinc/53/06/07/669530607.db2.gz MOPCLJUZZFWPHD-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CC[C@@H]1CNC(=O)CCCC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882483875 669530610 /nfs/dbraw/zinc/53/06/10/669530610.db2.gz MOPCLJUZZFWPHD-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423894 669684001 /nfs/dbraw/zinc/68/40/01/669684001.db2.gz YHGFMPWCEJFSOV-KBPBESRZSA-N 1 3 300.422 0.172 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793722183 669738233 /nfs/dbraw/zinc/73/82/33/669738233.db2.gz KLJQFZHOFCCIOM-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793722183 669738238 /nfs/dbraw/zinc/73/82/38/669738238.db2.gz KLJQFZHOFCCIOM-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CC1 ZINC000849022612 670750679 /nfs/dbraw/zinc/75/06/79/670750679.db2.gz MVGDGLKRDUTLEP-CQSZACIVSA-N 1 3 309.458 0.449 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849592973 670823613 /nfs/dbraw/zinc/82/36/13/670823613.db2.gz OTXSVWQZFDJGQK-AEGPPILISA-N 1 3 307.442 0.522 20 0 DCADHO C=CC(=O)N(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858926674 671052350 /nfs/dbraw/zinc/05/23/50/671052350.db2.gz FLHJZSCKYKCZMA-UHFFFAOYSA-N 1 3 322.453 0.306 20 0 DCADHO O=C1CCCCN1[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852745099 671155381 /nfs/dbraw/zinc/15/53/81/671155381.db2.gz OPLNLCBTDKTTDE-GJZGRUSLSA-N 1 3 307.438 0.984 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ncccn1 ZINC000820086530 671164219 /nfs/dbraw/zinc/16/42/19/671164219.db2.gz HFXLFVCPEWIYEN-ZDUSSCGKSA-N 1 3 308.430 0.548 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ncccn1 ZINC000820086530 671164220 /nfs/dbraw/zinc/16/42/20/671164220.db2.gz HFXLFVCPEWIYEN-ZDUSSCGKSA-N 1 3 308.430 0.548 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852826335 671168579 /nfs/dbraw/zinc/16/85/79/671168579.db2.gz UKHFXFKLMKNBJC-DZGCQCFKSA-N 1 3 319.405 0.580 20 0 DCADHO C[NH+](C)CCNC(=S)NC1CCN([C@H]2CCOC2)CC1 ZINC000853031329 671203425 /nfs/dbraw/zinc/20/34/25/671203425.db2.gz GQJIYZQNRNYCLQ-ZDUSSCGKSA-N 1 3 300.472 0.265 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[N@H+](C)C1 ZINC000853683667 671258880 /nfs/dbraw/zinc/25/88/80/671258880.db2.gz VQMQILIGTVSJDK-QLFBSQMISA-N 1 3 310.442 0.585 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[N@@H+](C)C1 ZINC000853683667 671258882 /nfs/dbraw/zinc/25/88/82/671258882.db2.gz VQMQILIGTVSJDK-QLFBSQMISA-N 1 3 310.442 0.585 20 0 DCADHO CCn1nc(C)c(CNCC2CC[NH+](CCN(C)C)CC2)n1 ZINC000823812728 671410191 /nfs/dbraw/zinc/41/01/91/671410191.db2.gz OCUMYAVPWRGGQL-UHFFFAOYSA-N 1 3 308.474 0.970 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000825223508 671453493 /nfs/dbraw/zinc/45/34/93/671453493.db2.gz JEONAQAKYOUDFJ-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@H]1CCCN1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867149465 671808288 /nfs/dbraw/zinc/80/82/88/671808288.db2.gz WHJTXGQSZYAEAM-AWEZNQCLSA-N 1 3 303.472 0.876 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841791089 671956009 /nfs/dbraw/zinc/95/60/09/671956009.db2.gz NBZQVOJZOGLGPP-AJNGGQMLSA-N 1 3 310.442 0.761 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000842014304 671974214 /nfs/dbraw/zinc/97/42/14/671974214.db2.gz BVSODCHCHVTQDH-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000842014306 671974284 /nfs/dbraw/zinc/97/42/84/671974284.db2.gz BVSODCHCHVTQDH-RDBSUJKOSA-N 1 3 310.442 0.091 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015991 671974719 /nfs/dbraw/zinc/97/47/19/671974719.db2.gz QBNLZRPZNPDISH-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842015953 671974882 /nfs/dbraw/zinc/97/48/82/671974882.db2.gz PQQCHJCHAMIOJP-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000842099171 671982241 /nfs/dbraw/zinc/98/22/41/671982241.db2.gz XZHFHCMPMGXLFM-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC001024477420 693808754 /nfs/dbraw/zinc/80/87/54/693808754.db2.gz LTIHPNBJNFYOKN-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC001024477420 693808758 /nfs/dbraw/zinc/80/87/58/693808758.db2.gz LTIHPNBJNFYOKN-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CCOC(=O)CC[C@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000385646408 685247352 /nfs/dbraw/zinc/24/73/52/685247352.db2.gz JFVGSCXFPZZHNB-HZSPNIEDSA-N 1 3 300.399 0.143 20 0 DCADHO CCOC(=O)CC[C@H](O)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000385646408 685247355 /nfs/dbraw/zinc/24/73/55/685247355.db2.gz JFVGSCXFPZZHNB-HZSPNIEDSA-N 1 3 300.399 0.143 20 0 DCADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCO ZINC001037935926 693970608 /nfs/dbraw/zinc/97/06/08/693970608.db2.gz SXXHWYQXZJRJNI-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000955338682 686369936 /nfs/dbraw/zinc/36/99/36/686369936.db2.gz KBFHHLMOAUMENP-CQSZACIVSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000955338682 686369942 /nfs/dbraw/zinc/36/99/42/686369942.db2.gz KBFHHLMOAUMENP-CQSZACIVSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000955344201 686377957 /nfs/dbraw/zinc/37/79/57/686377957.db2.gz KAERXOIBDVGMDQ-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000955344201 686377965 /nfs/dbraw/zinc/37/79/65/686377965.db2.gz KAERXOIBDVGMDQ-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC000960215491 688326148 /nfs/dbraw/zinc/32/61/48/688326148.db2.gz IKYBFTCXCRKLMR-HNNXBMFYSA-N 1 3 319.453 0.987 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCO)C1 ZINC000960305168 688346879 /nfs/dbraw/zinc/34/68/79/688346879.db2.gz UGYHPMIVFOZUQJ-MZMPZRCHSA-N 1 3 317.433 0.692 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC2CC(CNCc3nccn3C)C2)C1 ZINC000962310489 688880203 /nfs/dbraw/zinc/88/02/03/688880203.db2.gz WNVNMECVVXCPPY-WLYUNCDWSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNCc3nccn3C)C2)C1 ZINC000962310489 688880205 /nfs/dbraw/zinc/88/02/05/688880205.db2.gz WNVNMECVVXCPPY-WLYUNCDWSA-N 1 3 319.453 0.746 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCc4ccns4)C[C@H]32)C1 ZINC000962591307 688951104 /nfs/dbraw/zinc/95/11/04/688951104.db2.gz REMBVGAGGMAWBQ-SPWCGHHHSA-N 1 3 320.462 0.684 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCc4ccns4)C[C@H]32)C1 ZINC000962591307 688951106 /nfs/dbraw/zinc/95/11/06/688951106.db2.gz REMBVGAGGMAWBQ-SPWCGHHHSA-N 1 3 320.462 0.684 20 0 DCADHO C[C@@H]([NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1)C(N)=O ZINC000965061214 689347446 /nfs/dbraw/zinc/34/74/46/689347446.db2.gz ANECQEPWZWUTJY-MAJRPQAMSA-N 1 3 322.453 0.362 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000967924439 690123414 /nfs/dbraw/zinc/12/34/14/690123414.db2.gz IAWFXTMFNIISML-HUUCEWRRSA-N 1 3 320.441 0.180 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000968645375 690353330 /nfs/dbraw/zinc/35/33/30/690353330.db2.gz XSDQRWBXZRMGDU-HZPDHXFCSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000968645375 690353332 /nfs/dbraw/zinc/35/33/32/690353332.db2.gz XSDQRWBXZRMGDU-HZPDHXFCSA-N 1 3 319.453 0.983 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968967231 690437620 /nfs/dbraw/zinc/43/76/20/690437620.db2.gz LXZPKKFFNAAPFW-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968967231 690437624 /nfs/dbraw/zinc/43/76/24/690437624.db2.gz LXZPKKFFNAAPFW-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO COC[C@H](C)N1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457068 692023896 /nfs/dbraw/zinc/02/38/96/692023896.db2.gz FZODGILMRMSQFB-UONOGXRCSA-N 1 3 323.441 0.284 20 0 DCADHO COC[C@@H](C)N1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457066 692024038 /nfs/dbraw/zinc/02/40/38/692024038.db2.gz FZODGILMRMSQFB-KGLIPLIRSA-N 1 3 323.441 0.284 20 0 DCADHO CO[C@H](C)CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015827082 692458741 /nfs/dbraw/zinc/45/87/41/692458741.db2.gz MPDHTSNBVSXSBV-HIFRSBDPSA-N 1 3 323.441 0.284 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001018990796 693310521 /nfs/dbraw/zinc/31/05/21/693310521.db2.gz PVCSZNUNMOYDKL-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001018990796 693310527 /nfs/dbraw/zinc/31/05/27/693310527.db2.gz PVCSZNUNMOYDKL-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2ccnn2C)C1)[NH+](C)C ZINC001019000832 693316133 /nfs/dbraw/zinc/31/61/33/693316133.db2.gz SGMWYLCRTPJFPP-ZFWWWQNUSA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2cncn2C)C1)[NH+](C)C ZINC001019342717 693438856 /nfs/dbraw/zinc/43/88/56/693438856.db2.gz DFBRFQWSGRBCPS-DZGCQCFKSA-N 1 3 307.442 0.697 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001019394452 693461252 /nfs/dbraw/zinc/46/12/52/693461252.db2.gz HKUZBRYYMUWHKJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019469970 693483505 /nfs/dbraw/zinc/48/35/05/693483505.db2.gz XKGSTVWPEXCAGM-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001020179080 693724651 /nfs/dbraw/zinc/72/46/51/693724651.db2.gz NLSHEHBCAQSLPU-VGWMRTNUSA-N 1 3 307.438 0.887 20 0 DCADHO C[NH+](C)CCC(=O)NC1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001073277542 694717549 /nfs/dbraw/zinc/71/75/49/694717549.db2.gz XEUOCPUONKQFIP-UHFFFAOYSA-N 1 3 321.425 0.401 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCCF)CCCO2)C1 ZINC001073891927 694797063 /nfs/dbraw/zinc/79/70/63/694797063.db2.gz VRIDODTZIBUGGA-UONOGXRCSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCCF)CCCO2)C1 ZINC001073891927 694797064 /nfs/dbraw/zinc/79/70/64/694797064.db2.gz VRIDODTZIBUGGA-UONOGXRCSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCF)CCCO2)C1 ZINC001073891929 694797172 /nfs/dbraw/zinc/79/71/72/694797172.db2.gz VRIDODTZIBUGGA-ZIAGYGMSSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(CCCF)CCCO2)C1 ZINC001073891929 694797174 /nfs/dbraw/zinc/79/71/74/694797174.db2.gz VRIDODTZIBUGGA-ZIAGYGMSSA-N 1 3 301.406 0.505 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074684322 694917001 /nfs/dbraw/zinc/91/70/01/694917001.db2.gz ODVARKXBWIMLIR-MJBXVCDLSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001074684322 694917002 /nfs/dbraw/zinc/91/70/02/694917002.db2.gz ODVARKXBWIMLIR-MJBXVCDLSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001074755808 694920610 /nfs/dbraw/zinc/92/06/10/694920610.db2.gz ZELNJXIBKWJQRZ-NSVFMMHJSA-N 1 3 311.401 0.398 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C)N(C)C ZINC001074885750 694928659 /nfs/dbraw/zinc/92/86/59/694928659.db2.gz VOBSYNPAINWAIT-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042315 694935719 /nfs/dbraw/zinc/93/57/19/694935719.db2.gz KAFADLHZKQAJQA-LZWOXQAQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075042315 694935720 /nfs/dbraw/zinc/93/57/20/694935720.db2.gz KAFADLHZKQAJQA-LZWOXQAQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H](CCNC(=O)[C@H](C1CC1)N(C)C)NC(=O)CC[NH+](C)C ZINC001076956748 695109055 /nfs/dbraw/zinc/10/90/55/695109055.db2.gz VOFSBGNUPVUCCY-WFASDCNBSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001691277891 1157627931 /nfs/dbraw/zinc/62/79/31/1157627931.db2.gz MCQKGZUDZCPOJJ-HNNXBMFYSA-N 1 3 307.442 0.642 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691499924 1158040306 /nfs/dbraw/zinc/04/03/06/1158040306.db2.gz FPIQPJWUCUTFLU-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN(C)c1cc(CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001691603024 1158352594 /nfs/dbraw/zinc/35/25/94/1158352594.db2.gz OUVOUPOLDBBXKG-OAHLLOKOSA-N 1 3 319.453 0.647 20 0 DCADHO CN(C)c1cc(CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001691603024 1158352600 /nfs/dbraw/zinc/35/26/00/1158352600.db2.gz OUVOUPOLDBBXKG-OAHLLOKOSA-N 1 3 319.453 0.647 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C[NH2+]1 ZINC001649037805 1158607819 /nfs/dbraw/zinc/60/78/19/1158607819.db2.gz BMFOLERRXYBVDV-LERXQTSPSA-N 1 3 316.405 0.769 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001350015938 1159175238 /nfs/dbraw/zinc/17/52/38/1159175238.db2.gz WVXQAMMISHEWPL-BFHYXJOUSA-N 1 3 310.442 0.315 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCCN(CCCF)C2)C1 ZINC001447047556 1159571371 /nfs/dbraw/zinc/57/13/71/1159571371.db2.gz VMQBBJVYWUONDU-HOCLYGCPSA-N 1 3 315.433 0.631 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCCN(CCCF)C2)C1 ZINC001447047556 1159571403 /nfs/dbraw/zinc/57/14/03/1159571403.db2.gz VMQBBJVYWUONDU-HOCLYGCPSA-N 1 3 315.433 0.631 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CC(N)=O ZINC001567643874 1160447703 /nfs/dbraw/zinc/44/77/03/1160447703.db2.gz ZXOXRIOYXCBPQF-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CC(N)=O ZINC001567643874 1160447705 /nfs/dbraw/zinc/44/77/05/1160447705.db2.gz ZXOXRIOYXCBPQF-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568865288 1160827103 /nfs/dbraw/zinc/82/71/03/1160827103.db2.gz AQOATUPGNYDTPJ-CTXXGXLOSA-N 1 3 310.442 0.257 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568865288 1160827115 /nfs/dbraw/zinc/82/71/15/1160827115.db2.gz AQOATUPGNYDTPJ-CTXXGXLOSA-N 1 3 310.442 0.257 20 0 DCADHO CCCNC(=O)[C@@H](C)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001568952213 1160894831 /nfs/dbraw/zinc/89/48/31/1160894831.db2.gz VJNCDWWPEOOPPK-ZRUQZJFASA-N 1 3 322.453 0.259 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001568955340 1160895723 /nfs/dbraw/zinc/89/57/23/1160895723.db2.gz UWPRYWHBYKVZQV-CYSIVNQBSA-N 1 3 324.469 0.455 20 0 DCADHO COc1ccc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001569266781 1160998333 /nfs/dbraw/zinc/99/83/33/1160998333.db2.gz GTFACMCEKFLYDD-CYBMUJFWSA-N 1 3 321.425 0.375 20 0 DCADHO COc1ccc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001569266781 1160998336 /nfs/dbraw/zinc/99/83/36/1160998336.db2.gz GTFACMCEKFLYDD-CYBMUJFWSA-N 1 3 321.425 0.375 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001569946343 1161340239 /nfs/dbraw/zinc/34/02/39/1161340239.db2.gz LNBJFEFTRWSDKA-CQSZACIVSA-N 1 3 303.422 0.487 20 0 DCADHO CC(C)(C)CC[C@@H]([NH3+])CNC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001575130525 1163909521 /nfs/dbraw/zinc/90/95/21/1163909521.db2.gz NYJWYQQTMLMLFD-HLLBOEOZSA-N 1 3 313.486 0.955 20 0 DCADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001575130525 1163909527 /nfs/dbraw/zinc/90/95/27/1163909527.db2.gz NYJWYQQTMLMLFD-HLLBOEOZSA-N 1 3 313.486 0.955 20 0 DCADHO CC(C)(C[NH3+])CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001575310282 1163969462 /nfs/dbraw/zinc/96/94/62/1163969462.db2.gz DSNUBVOIMFTAKS-CYBMUJFWSA-N 1 3 310.442 0.302 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1c[nH]nn1)[NH+]1CCCC1 ZINC001575327761 1163975759 /nfs/dbraw/zinc/97/57/59/1163975759.db2.gz HLGVPIRQFAMXNH-ZFWWWQNUSA-N 1 3 322.457 0.862 20 0 DCADHO C[C@@]1(CN[C@H]2CCCN(CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC001576519901 1164376065 /nfs/dbraw/zinc/37/60/65/1164376065.db2.gz VSJUCCVVRZZYLF-ZWKOTPCHSA-N 1 3 324.513 0.762 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]2CCN(CCc3cn[nH]n3)C[C@H]21)[NH+](C)C ZINC001576615805 1164414095 /nfs/dbraw/zinc/41/40/95/1164414095.db2.gz NTMQVRMFDLDDQM-BPLDGKMQSA-N 1 3 320.441 0.220 20 0 DCADHO CCO[C@H](CNC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C[NH+](C)C ZINC001578075442 1164917674 /nfs/dbraw/zinc/91/76/74/1164917674.db2.gz ILVKUTVGJSIYLD-UPJWGTAASA-N 1 3 316.446 0.365 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)ccc1=O ZINC001578419298 1165009240 /nfs/dbraw/zinc/00/92/40/1165009240.db2.gz QGZQBNRCUJBIRR-QWHCGFSZSA-N 1 3 306.410 0.722 20 0 DCADHO CN(CCCN1C(=O)c2ccccc2C1=O)C[C@@](C)(O)C[NH3+] ZINC001578468068 1165024168 /nfs/dbraw/zinc/02/41/68/1165024168.db2.gz BZWRZTNEXVOPDO-INIZCTEOSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@](C)(O)CN ZINC001578468068 1165024172 /nfs/dbraw/zinc/02/41/72/1165024172.db2.gz BZWRZTNEXVOPDO-INIZCTEOSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@@](C)(O)CN ZINC001578468068 1165024180 /nfs/dbraw/zinc/02/41/80/1165024180.db2.gz BZWRZTNEXVOPDO-INIZCTEOSA-N 1 3 305.378 0.314 20 0 DCADHO CN(CCN1CC[NH2+]CC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001578471980 1165027338 /nfs/dbraw/zinc/02/73/38/1165027338.db2.gz XJIJCVCSQCDJCM-KBPBESRZSA-N 1 3 301.406 0.457 20 0 DCADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC001578768927 1165099030 /nfs/dbraw/zinc/09/90/30/1165099030.db2.gz QQLKSQFWVQKHBL-ZDUSSCGKSA-N 1 3 322.405 0.913 20 0 DCADHO COC(=O)CCN1CC[C@@H](N2CCC3(CC[NH2+]CC3)CC2)C1=O ZINC001578805162 1165122060 /nfs/dbraw/zinc/12/20/60/1165122060.db2.gz PAQGLOMZHLVTCV-CQSZACIVSA-N 1 3 323.437 0.616 20 0 DCADHO Cn1ncc(CN)c1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001580000680 1165466853 /nfs/dbraw/zinc/46/68/53/1165466853.db2.gz KAURSRBSWOUECH-UHFFFAOYSA-N 1 3 321.425 0.254 20 0 DCADHO O[C@@]1(CN2CCN(Cc3cscn3)CC2)CCC[NH2+]CC1 ZINC001580879976 1165751087 /nfs/dbraw/zinc/75/10/87/1165751087.db2.gz IJGBOXYSUKIQJF-HNNXBMFYSA-N 1 3 310.467 0.765 20 0 DCADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)nn1 ZINC001646496133 1172404880 /nfs/dbraw/zinc/40/48/80/1172404880.db2.gz PNMPHLZUXKJEGQ-RZFFKMDDSA-N 1 3 307.398 0.178 20 0 DCADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)nn1 ZINC001646496133 1172404885 /nfs/dbraw/zinc/40/48/85/1172404885.db2.gz PNMPHLZUXKJEGQ-RZFFKMDDSA-N 1 3 307.398 0.178 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001646747848 1172507467 /nfs/dbraw/zinc/50/74/67/1172507467.db2.gz JFWZIHNQJUAMIA-UPJWGTAASA-N 1 3 301.456 0.422 20 0 DCADHO O=C([C@H]1CC[NH2+]1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001646810499 1172544798 /nfs/dbraw/zinc/54/47/98/1172544798.db2.gz LTFSOVJKJWAYCH-GZBFAFLISA-N 1 3 301.390 0.857 20 0 DCADHO Cc1sc(CN)nc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001646842180 1172560595 /nfs/dbraw/zinc/56/05/95/1172560595.db2.gz NWVWYODGJCLMPA-GXSJLCMTSA-N 1 3 311.455 0.274 20 0 DCADHO Cc1sc(CN)nc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001646842180 1172560596 /nfs/dbraw/zinc/56/05/96/1172560596.db2.gz NWVWYODGJCLMPA-GXSJLCMTSA-N 1 3 311.455 0.274 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[C@H]1C[NH3+] ZINC001647561576 1172972658 /nfs/dbraw/zinc/97/26/58/1172972658.db2.gz VPWZRWPMKPDZKL-LXTVHRRPSA-N 1 3 310.442 0.476 20 0 DCADHO Cn1ncc(C[NH3+])c1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC001649957872 1173337484 /nfs/dbraw/zinc/33/74/84/1173337484.db2.gz AJBREFVQSUWJQD-CQSZACIVSA-N 1 3 315.377 0.792 20 0 DCADHO CN1CC[NH+](C2CCN(C[C@@H]3CCc4ncnn43)CC2)CC1 ZINC001649969723 1173346806 /nfs/dbraw/zinc/34/68/06/1173346806.db2.gz MYSQJEKPNNOUMB-HNNXBMFYSA-N 1 3 304.442 0.477 20 0 DCADHO C[N@H+](C[C@H](O)Cn1cc([C@@H](N)C2CCOCC2)nn1)C1CC1 ZINC001649972969 1173351771 /nfs/dbraw/zinc/35/17/71/1173351771.db2.gz BSDLLZHEFRVIIS-ZFWWWQNUSA-N 1 3 309.414 0.160 20 0 DCADHO C[N@@H+](C[C@H](O)Cn1cc([C@@H](N)C2CCOCC2)nn1)C1CC1 ZINC001649972969 1173351778 /nfs/dbraw/zinc/35/17/78/1173351778.db2.gz BSDLLZHEFRVIIS-ZFWWWQNUSA-N 1 3 309.414 0.160 20 0 DCADHO COCCOC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001652938351 1173778669 /nfs/dbraw/zinc/77/86/69/1173778669.db2.gz SHQMNAOQATZMBU-OIISXLGYSA-N 1 3 312.454 0.959 20 0 DCADHO COCCOC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001652938351 1173778673 /nfs/dbraw/zinc/77/86/73/1173778673.db2.gz SHQMNAOQATZMBU-OIISXLGYSA-N 1 3 312.454 0.959 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001662443439 1174210760 /nfs/dbraw/zinc/21/07/60/1174210760.db2.gz YHDWERDTUMJUCD-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001664391956 1174429506 /nfs/dbraw/zinc/42/95/06/1174429506.db2.gz VENDJFOYHJJUSG-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001667034720 1174656416 /nfs/dbraw/zinc/65/64/16/1174656416.db2.gz YVMFJAGPNOHKGU-KGLIPLIRSA-N 1 3 310.446 0.301 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCN1CCCC1=O ZINC001667060081 1174659199 /nfs/dbraw/zinc/65/91/99/1174659199.db2.gz ZZZUMEIOJNDZPP-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001668533611 1174806408 /nfs/dbraw/zinc/80/64/08/1174806408.db2.gz NVJLONLDLHVERM-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCO[C@H]1CC1(F)F ZINC001668745876 1174830666 /nfs/dbraw/zinc/83/06/66/1174830666.db2.gz NVXSNVUNGJCHFJ-FAQRPARDSA-N 1 3 317.380 0.767 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001668973247 1174870575 /nfs/dbraw/zinc/87/05/75/1174870575.db2.gz NHYZXISVUYUTOV-GFUIURDCSA-N 1 3 310.442 0.387 20 0 DCADHO CC(C)=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001674066053 1175248884 /nfs/dbraw/zinc/24/88/84/1175248884.db2.gz ALUKLFMSROUTPG-HNNXBMFYSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001698829247 1177685467 /nfs/dbraw/zinc/68/54/67/1177685467.db2.gz UEYYQUJDNTZAOZ-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCn2cccn2)C1 ZINC001699306865 1178050910 /nfs/dbraw/zinc/05/09/10/1178050910.db2.gz AJIORHCEVIWCJX-MPNWYJEXSA-N 1 3 305.426 0.487 20 0 DCADHO CN(CC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(C)(C)C ZINC001703193762 1179383496 /nfs/dbraw/zinc/38/34/96/1179383496.db2.gz DDWVEZXRQRYKJH-CYBMUJFWSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(C)(C)C ZINC001703193762 1179383505 /nfs/dbraw/zinc/38/35/05/1179383505.db2.gz DDWVEZXRQRYKJH-CYBMUJFWSA-N 1 3 312.458 0.148 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001713283717 1180751595 /nfs/dbraw/zinc/75/15/95/1180751595.db2.gz PSHIICJHXUDCHB-LFPSSSAGSA-N 1 3 309.454 0.942 20 0 DCADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001713283717 1180751598 /nfs/dbraw/zinc/75/15/98/1180751598.db2.gz PSHIICJHXUDCHB-LFPSSSAGSA-N 1 3 309.454 0.942 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)C1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001713639284 1180985793 /nfs/dbraw/zinc/98/57/93/1180985793.db2.gz YXMBZTPXRXRWJZ-OAHLLOKOSA-N 1 3 308.426 0.941 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001714212081 1181281970 /nfs/dbraw/zinc/28/19/70/1181281970.db2.gz XQLKHDVSWPDBDO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001714300056 1181311206 /nfs/dbraw/zinc/31/12/06/1181311206.db2.gz JJWHHVWDZBRHAW-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001714724489 1181507604 /nfs/dbraw/zinc/50/76/04/1181507604.db2.gz OWTLDQWTPWVYND-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001714724489 1181507612 /nfs/dbraw/zinc/50/76/12/1181507612.db2.gz OWTLDQWTPWVYND-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001714747593 1181522085 /nfs/dbraw/zinc/52/20/85/1181522085.db2.gz FJLHGSYFROLXHR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001714779587 1181541599 /nfs/dbraw/zinc/54/15/99/1181541599.db2.gz DVSGJNKXOIREKJ-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001714779587 1181541604 /nfs/dbraw/zinc/54/16/04/1181541604.db2.gz DVSGJNKXOIREKJ-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO C[C@H](C[NH2+]CCO[C@@H]1CC1(F)F)N(C)C(=O)CN1CCCC1 ZINC001714866627 1181575940 /nfs/dbraw/zinc/57/59/40/1181575940.db2.gz SASVOTFNOOCQQN-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001715328796 1181774361 /nfs/dbraw/zinc/77/43/61/1181774361.db2.gz WJLOXRINOHVRRZ-WFASDCNBSA-N 1 3 322.457 0.426 20 0 DCADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001715327022 1181774987 /nfs/dbraw/zinc/77/49/87/1181774987.db2.gz RWRXZNNLXUESPX-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)nn1 ZINC001716532345 1182426882 /nfs/dbraw/zinc/42/68/82/1182426882.db2.gz IIVNQKAAYISMPQ-CQSZACIVSA-N 1 3 321.425 0.518 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCn2cccn2)C1 ZINC001717651772 1182938750 /nfs/dbraw/zinc/93/87/50/1182938750.db2.gz QOJJJZVIKKVHCP-HDJSIYSDSA-N 1 3 316.409 0.642 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001723124131 1184264432 /nfs/dbraw/zinc/26/44/32/1184264432.db2.gz USQNRRKFJMKNGF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001724752328 1184542302 /nfs/dbraw/zinc/54/23/02/1184542302.db2.gz VELMGUBANNAPNZ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCO[C@H](CNC/C=C\Cl)C1 ZINC001724824157 1184577062 /nfs/dbraw/zinc/57/70/62/1184577062.db2.gz SMUIKUNPBKXOQT-RYWCDNDXSA-N 1 3 303.834 0.898 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)[C@H]2CCCNC2=O)C1 ZINC001731265276 1185227654 /nfs/dbraw/zinc/22/76/54/1185227654.db2.gz GQMZURFMJPAHKZ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@H]2CCCNC2=O)C1 ZINC001731265276 1185227659 /nfs/dbraw/zinc/22/76/59/1185227659.db2.gz GQMZURFMJPAHKZ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001731682725 1185443623 /nfs/dbraw/zinc/44/36/23/1185443623.db2.gz ZYDWJGUWXZZVCE-OAHLLOKOSA-N 1 3 322.453 0.143 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731757347 1185473362 /nfs/dbraw/zinc/47/33/62/1185473362.db2.gz IBNPYPWXCPSREN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001731757347 1185473366 /nfs/dbraw/zinc/47/33/66/1185473366.db2.gz IBNPYPWXCPSREN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732806533 1185976993 /nfs/dbraw/zinc/97/69/93/1185976993.db2.gz GRECXAYYSGMSNV-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001732806533 1185976997 /nfs/dbraw/zinc/97/69/97/1185976997.db2.gz GRECXAYYSGMSNV-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001732933720 1186067811 /nfs/dbraw/zinc/06/78/11/1186067811.db2.gz LUGXVQJXMVKVFC-NHZBNJEXSA-N 1 3 318.421 0.804 20 0 DCADHO COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001732933720 1186067817 /nfs/dbraw/zinc/06/78/17/1186067817.db2.gz LUGXVQJXMVKVFC-NHZBNJEXSA-N 1 3 318.421 0.804 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001733581632 1186341896 /nfs/dbraw/zinc/34/18/96/1186341896.db2.gz ROOZDPSEPYHLHJ-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@H](CNCCF)C2)C1 ZINC001733742540 1186426030 /nfs/dbraw/zinc/42/60/30/1186426030.db2.gz IVQZFQJSYQJVPD-HUUCEWRRSA-N 1 3 315.433 0.895 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@H](CNCCF)C2)C1 ZINC001733742540 1186426033 /nfs/dbraw/zinc/42/60/33/1186426033.db2.gz IVQZFQJSYQJVPD-HUUCEWRRSA-N 1 3 315.433 0.895 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC(O)(CNCCF)CC2)CC1 ZINC001733887036 1186486508 /nfs/dbraw/zinc/48/65/08/1186486508.db2.gz PDZCNBVFFBRVEV-UHFFFAOYSA-N 1 3 315.433 0.631 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)[C@H](C)C1 ZINC001733902785 1186492534 /nfs/dbraw/zinc/49/25/34/1186492534.db2.gz SZGDKMPIMDQHQR-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)[C@H](C)C1 ZINC001733902785 1186492537 /nfs/dbraw/zinc/49/25/37/1186492537.db2.gz SZGDKMPIMDQHQR-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)CCCC[NH+](C)C ZINC001734431400 1186652089 /nfs/dbraw/zinc/65/20/89/1186652089.db2.gz ZRATYFIVZZVTDB-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001753029126 1188480649 /nfs/dbraw/zinc/48/06/49/1188480649.db2.gz VRBRPJRYVLWZGR-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001753029126 1188480652 /nfs/dbraw/zinc/48/06/52/1188480652.db2.gz VRBRPJRYVLWZGR-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001753877247 1188670620 /nfs/dbraw/zinc/67/06/20/1188670620.db2.gz ZBLIISKAAKDJHQ-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001753877247 1188670622 /nfs/dbraw/zinc/67/06/22/1188670622.db2.gz ZBLIISKAAKDJHQ-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@@H]2CCCN(C)C2=O)CCC1 ZINC001754375828 1188836641 /nfs/dbraw/zinc/83/66/41/1188836641.db2.gz PQJHUFFMRYMVBJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001754407554 1188847579 /nfs/dbraw/zinc/84/75/79/1188847579.db2.gz DNMSUEFWGKFIAR-CYBMUJFWSA-N 1 3 308.430 0.095 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001754407554 1188847582 /nfs/dbraw/zinc/84/75/82/1188847582.db2.gz DNMSUEFWGKFIAR-CYBMUJFWSA-N 1 3 308.430 0.095 20 0 DCADHO O=C(N(CCO)CCNCc1ccsc1)C12CC[NH+](CC1)C2 ZINC001754896804 1188968527 /nfs/dbraw/zinc/96/85/27/1188968527.db2.gz QPIUNSIOGIVTDA-UHFFFAOYSA-N 1 3 323.462 0.754 20 0 DCADHO O=C(C1C[NH2+]C1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404134670 1190188206 /nfs/dbraw/zinc/18/82/06/1190188206.db2.gz BTHJISHMYJDHQD-SJORKVTESA-N 1 3 315.417 0.708 20 0 DCADHO CN1CCN(CCNC(=O)N2CC[C@H](CC[NH3+])C2)CC1(C)C ZINC001772063045 1190421918 /nfs/dbraw/zinc/42/19/18/1190421918.db2.gz IZLDAQRKCFYNQW-AWEZNQCLSA-N 1 3 311.474 0.393 20 0 DCADHO Cn1ccn2c(CCN[C@@H]3CC[N@H+](C)C(C)(C)C3)nnc2c1=O ZINC001771882784 1190540645 /nfs/dbraw/zinc/54/06/45/1190540645.db2.gz HLIRDGHRWZSRMH-GFCCVEGCSA-N 1 3 318.425 0.433 20 0 DCADHO Cn1ccn2c(CCN[C@@H]3CC[N@@H+](C)C(C)(C)C3)nnc2c1=O ZINC001771882784 1190540649 /nfs/dbraw/zinc/54/06/49/1190540649.db2.gz HLIRDGHRWZSRMH-GFCCVEGCSA-N 1 3 318.425 0.433 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1cccnc1 ZINC001772063555 1190602767 /nfs/dbraw/zinc/60/27/67/1190602767.db2.gz LHEGHERLGHFZFX-LSDHHAIUSA-N 1 3 321.425 0.362 20 0 DCADHO [NH3+][C@@H]1CCCn2nc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cc21 ZINC001772222434 1190633881 /nfs/dbraw/zinc/63/38/81/1190633881.db2.gz MADNBHWDZHOFHH-RWMBFGLXSA-N 1 3 319.409 0.270 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001772226582 1190635745 /nfs/dbraw/zinc/63/57/45/1190635745.db2.gz DOZRUTYTMAMTKO-KYJSFNMBSA-N 1 3 315.417 0.616 20 0 DCADHO CN1CCN(c2cccc(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)n2)CC1 ZINC001164388986 718823798 /nfs/dbraw/zinc/82/37/98/718823798.db2.gz FUMZIJCHGVNZBM-LSDHHAIUSA-N 1 3 317.437 0.401 20 0 DCADHO CN(Cc1ccc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc1)C1CC1 ZINC001164401604 718853562 /nfs/dbraw/zinc/85/35/62/718853562.db2.gz CJJHHSMDYLGDCP-PBHICJAKSA-N 1 3 302.422 0.694 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466498 751406403 /nfs/dbraw/zinc/40/64/03/751406403.db2.gz PIKBTZLKLMABBC-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127479309 751414176 /nfs/dbraw/zinc/41/41/76/751414176.db2.gz BZSXBAOXYQUXRE-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001578568551 1165062739 /nfs/dbraw/zinc/06/27/39/1165062739.db2.gz ISTFNLCBSCTGBC-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO CC1(C)CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)N(CCO)C1 ZINC001089641528 751501566 /nfs/dbraw/zinc/50/15/66/751501566.db2.gz OESZXBZSLNBZDT-HZPDHXFCSA-N 1 3 323.481 0.927 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001127643574 751601259 /nfs/dbraw/zinc/60/12/59/751601259.db2.gz BFAHJMHBKVOXHD-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001127643574 751601262 /nfs/dbraw/zinc/60/12/62/751601262.db2.gz BFAHJMHBKVOXHD-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCO)CC3)CCC1 ZINC001107436864 752047925 /nfs/dbraw/zinc/04/79/25/752047925.db2.gz VKTOXIRPMDLNKO-GDBMZVCRSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCO)CC3)CCC1 ZINC001107436864 752047930 /nfs/dbraw/zinc/04/79/30/752047930.db2.gz VKTOXIRPMDLNKO-GDBMZVCRSA-N 1 3 309.454 0.824 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779644 752065310 /nfs/dbraw/zinc/06/53/10/752065310.db2.gz PFYARSGZHUDFMQ-CVEARBPZSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779644 752065315 /nfs/dbraw/zinc/06/53/15/752065315.db2.gz PFYARSGZHUDFMQ-CVEARBPZSA-N 1 3 318.421 0.459 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCO)CC3)C1 ZINC001107550201 752107423 /nfs/dbraw/zinc/10/74/23/752107423.db2.gz PQZHNODYIAYLBH-ZMSDIMECSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCO)CC3)C1 ZINC001107550201 752107429 /nfs/dbraw/zinc/10/74/29/752107429.db2.gz PQZHNODYIAYLBH-ZMSDIMECSA-N 1 3 309.454 0.681 20 0 DCADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001167051322 746904547 /nfs/dbraw/zinc/90/45/47/746904547.db2.gz GHCPFVIYKHELRT-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC001167240755 747035701 /nfs/dbraw/zinc/03/57/01/747035701.db2.gz RMKGUNAKJNQMAX-ZDUSSCGKSA-N 1 3 324.469 0.468 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1 ZINC001167480607 747276860 /nfs/dbraw/zinc/27/68/60/747276860.db2.gz NDPSSHCGZWRBAT-UHFFFAOYSA-N 1 3 322.457 0.533 20 0 DCADHO COC(C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1)OC ZINC001207252825 747333138 /nfs/dbraw/zinc/33/31/38/747333138.db2.gz BFVCXRGQVCORRT-RDBSUJKOSA-N 1 3 309.414 0.292 20 0 DCADHO COC(C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1)OC ZINC001207252825 747333141 /nfs/dbraw/zinc/33/31/41/747333141.db2.gz BFVCXRGQVCORRT-RDBSUJKOSA-N 1 3 309.414 0.292 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001167635203 747439838 /nfs/dbraw/zinc/43/98/38/747439838.db2.gz LGENULWUGDZTAU-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO)C1CCC1 ZINC001087363867 747768278 /nfs/dbraw/zinc/76/82/78/747768278.db2.gz OXRSZOMUEIIOET-LLLHUVSDSA-N 1 3 321.465 0.632 20 0 DCADHO CN(CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO)C1CCC1 ZINC001087363867 747768283 /nfs/dbraw/zinc/76/82/83/747768283.db2.gz OXRSZOMUEIIOET-LLLHUVSDSA-N 1 3 321.465 0.632 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100770713 747905364 /nfs/dbraw/zinc/90/53/64/747905364.db2.gz LHMDAYDOOYUAOX-UHFFFAOYSA-N 1 3 308.430 0.104 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001203456319 752252038 /nfs/dbraw/zinc/25/20/38/752252038.db2.gz VNUOZTZDBQJACX-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCO)C2)C1 ZINC001112529831 748319018 /nfs/dbraw/zinc/31/90/18/748319018.db2.gz QXXWKIOWMLKEFR-ZOBUZTSGSA-N 1 3 309.454 0.539 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCO)C2)C1 ZINC001112530304 748330947 /nfs/dbraw/zinc/33/09/47/748330947.db2.gz NUFAHKXDVQDIPT-YJBOKZPZSA-N 1 3 323.481 0.929 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CCO ZINC001087671648 749015885 /nfs/dbraw/zinc/01/58/85/749015885.db2.gz JAVJVHXWAUGGQG-ARFHVFGLSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CCO ZINC001087671648 749015890 /nfs/dbraw/zinc/01/58/90/749015890.db2.gz JAVJVHXWAUGGQG-ARFHVFGLSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1CCO ZINC001087671648 749015896 /nfs/dbraw/zinc/01/58/96/749015896.db2.gz JAVJVHXWAUGGQG-ARFHVFGLSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1)N(C)C ZINC001088002638 749185410 /nfs/dbraw/zinc/18/54/10/749185410.db2.gz NSSVUAGONBCHLT-PMPSAXMXSA-N 1 3 311.470 0.735 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1)N(C)C ZINC001088002638 749185415 /nfs/dbraw/zinc/18/54/15/749185415.db2.gz NSSVUAGONBCHLT-PMPSAXMXSA-N 1 3 311.470 0.735 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]2C1 ZINC001088121442 749246162 /nfs/dbraw/zinc/24/61/62/749246162.db2.gz GVCNOMUQGBXPEL-ZNMIVQPWSA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]2C1 ZINC001088121442 749246164 /nfs/dbraw/zinc/24/61/64/749246164.db2.gz GVCNOMUQGBXPEL-ZNMIVQPWSA-N 1 3 318.421 0.769 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001088382341 749411840 /nfs/dbraw/zinc/41/18/40/749411840.db2.gz ZFIGUKWZYGRVTC-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001101035894 749980790 /nfs/dbraw/zinc/98/07/90/749980790.db2.gz DDKHGDDVBAFXHP-IYXRBSQSSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001101035792 749980839 /nfs/dbraw/zinc/98/08/39/749980839.db2.gz ADOYXNDBGLCVIW-NRXISQOPSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904975335 750433464 /nfs/dbraw/zinc/43/34/64/750433464.db2.gz VNJUVRQRBSUQSD-CXAGYDPISA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254227 750927725 /nfs/dbraw/zinc/92/77/25/750927725.db2.gz DFUFATTUEAROAB-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254227 750927729 /nfs/dbraw/zinc/92/77/29/750927729.db2.gz DFUFATTUEAROAB-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256726 750947539 /nfs/dbraw/zinc/94/75/39/750947539.db2.gz QUNDOUHHQZANOK-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256726 750947544 /nfs/dbraw/zinc/94/75/44/750947544.db2.gz QUNDOUHHQZANOK-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106779432 751275819 /nfs/dbraw/zinc/27/58/19/751275819.db2.gz ODNSEAXXJCZCHA-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1 ZINC001106779164 751276071 /nfs/dbraw/zinc/27/60/71/751276071.db2.gz FZLPBFWHFSHEMI-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCCC1 ZINC001044857040 752903383 /nfs/dbraw/zinc/90/33/83/752903383.db2.gz DSIZBOVGZGQQJS-KBPBESRZSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC001044858281 752905101 /nfs/dbraw/zinc/90/51/01/752905101.db2.gz RATZGYYZWWZYOG-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001044959783 752959312 /nfs/dbraw/zinc/95/93/12/752959312.db2.gz MJROVBHQSWTZDX-LSDHHAIUSA-N 1 3 305.426 0.595 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C)C1CC1 ZINC001045067928 753031459 /nfs/dbraw/zinc/03/14/59/753031459.db2.gz VRMFBVCJWKTVMQ-JKSUJKDBSA-N 1 3 319.453 0.841 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001045309004 753138480 /nfs/dbraw/zinc/13/84/80/753138480.db2.gz MLMJUGMJDQSTPY-KGLIPLIRSA-N 1 3 320.441 0.330 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001045309004 753138482 /nfs/dbraw/zinc/13/84/82/753138482.db2.gz MLMJUGMJDQSTPY-KGLIPLIRSA-N 1 3 320.441 0.330 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035895 753439513 /nfs/dbraw/zinc/43/95/13/753439513.db2.gz VMVVCGLGLIWECQ-IRXDYDNUSA-N 1 3 322.497 0.954 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035895 753439518 /nfs/dbraw/zinc/43/95/18/753439518.db2.gz VMVVCGLGLIWECQ-IRXDYDNUSA-N 1 3 322.497 0.954 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046036072 753439642 /nfs/dbraw/zinc/43/96/42/753439642.db2.gz ZEOPNWLCJYYAKE-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046036072 753439645 /nfs/dbraw/zinc/43/96/45/753439645.db2.gz ZEOPNWLCJYYAKE-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001046063643 753457312 /nfs/dbraw/zinc/45/73/12/753457312.db2.gz SYEZCJHPCYOMNF-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO CC[C@@H](C(=O)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001046063643 753457314 /nfs/dbraw/zinc/45/73/14/753457314.db2.gz SYEZCJHPCYOMNF-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO O=C(CN1CCCC1)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046082906 753471970 /nfs/dbraw/zinc/47/19/70/753471970.db2.gz XYLPISRFLUNYLT-QGZVFWFLSA-N 1 3 320.481 0.711 20 0 DCADHO O=C(CN1CCCC1)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046082906 753471972 /nfs/dbraw/zinc/47/19/72/753471972.db2.gz XYLPISRFLUNYLT-QGZVFWFLSA-N 1 3 320.481 0.711 20 0 DCADHO CCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212495865 753626430 /nfs/dbraw/zinc/62/64/30/753626430.db2.gz RHNFEUBWPIGXBE-HUUCEWRRSA-N 1 3 306.410 0.743 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047511501 754346883 /nfs/dbraw/zinc/34/68/83/754346883.db2.gz GVDDPQSSSSWDQY-KBPBESRZSA-N 1 3 301.406 0.191 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168756473 754443465 /nfs/dbraw/zinc/44/34/65/754443465.db2.gz ZSJHFKBKWYXOCB-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066732 754599083 /nfs/dbraw/zinc/59/90/83/754599083.db2.gz PHIBGEJZDBHLAO-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001048391852 754736115 /nfs/dbraw/zinc/73/61/15/754736115.db2.gz HQNLXIWPXYQKHN-OLZOCXBDSA-N 1 3 316.409 0.570 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048563297 754808070 /nfs/dbraw/zinc/80/80/70/754808070.db2.gz WZHFIUGTVOERBT-SBJFKYEJSA-N 1 3 322.453 0.029 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048563297 754808075 /nfs/dbraw/zinc/80/80/75/754808075.db2.gz WZHFIUGTVOERBT-SBJFKYEJSA-N 1 3 322.453 0.029 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001168762500 754907013 /nfs/dbraw/zinc/90/70/13/754907013.db2.gz DFHHGKLMGDVVTB-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1)C1CC1 ZINC001048864388 754986573 /nfs/dbraw/zinc/98/65/73/754986573.db2.gz XQBHAGRZDLDSGN-LLLHUVSDSA-N 1 3 321.465 0.753 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1)C1CC1 ZINC001048864388 754986577 /nfs/dbraw/zinc/98/65/77/754986577.db2.gz XQBHAGRZDLDSGN-LLLHUVSDSA-N 1 3 321.465 0.753 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001049056826 755096035 /nfs/dbraw/zinc/09/60/35/755096035.db2.gz AJUQLJKZAKNVMM-TWMKSMIVSA-N 1 3 321.465 0.897 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001049056826 755096039 /nfs/dbraw/zinc/09/60/39/755096039.db2.gz AJUQLJKZAKNVMM-TWMKSMIVSA-N 1 3 321.465 0.897 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001049083429 755108198 /nfs/dbraw/zinc/10/81/98/755108198.db2.gz DAICASLOGINDAY-KFWWJZLASA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2C1 ZINC001049083429 755108203 /nfs/dbraw/zinc/10/82/03/755108203.db2.gz DAICASLOGINDAY-KFWWJZLASA-N 1 3 318.421 0.769 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO)N1CCCC1 ZINC001049627797 755340400 /nfs/dbraw/zinc/34/04/00/755340400.db2.gz BVABKXVQVKHLRD-CABCVRRESA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO)N1CCCC1 ZINC001049627797 755340404 /nfs/dbraw/zinc/34/04/04/755340404.db2.gz BVABKXVQVKHLRD-CABCVRRESA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCO)[NH+]1CCCC1 ZINC001049627797 755340407 /nfs/dbraw/zinc/34/04/07/755340407.db2.gz BVABKXVQVKHLRD-CABCVRRESA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001072287142 762426482 /nfs/dbraw/zinc/42/64/82/762426482.db2.gz SCNDIIITHRKHMI-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001053038648 755904849 /nfs/dbraw/zinc/90/48/49/755904849.db2.gz JUFDHCJRAWFZOK-LSDHHAIUSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@H+](CCO)C2)C1 ZINC001053038648 755904851 /nfs/dbraw/zinc/90/48/51/755904851.db2.gz JUFDHCJRAWFZOK-LSDHHAIUSA-N 1 3 320.437 0.895 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072317040 762438048 /nfs/dbraw/zinc/43/80/48/762438048.db2.gz JNOPDPTVPHMCHZ-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(CCCO)C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001079949002 756053411 /nfs/dbraw/zinc/05/34/11/756053411.db2.gz JZMRZAJOFDESES-HUUCEWRRSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082448642 757135735 /nfs/dbraw/zinc/13/57/35/757135735.db2.gz XTMZUCBSCIFDMQ-BPLDGKMQSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CC1 ZINC001082653224 757215370 /nfs/dbraw/zinc/21/53/70/757215370.db2.gz AVOVTNXUNLETLS-HCBQETRLSA-N 1 3 319.449 0.696 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001082835623 757295223 /nfs/dbraw/zinc/29/52/23/757295223.db2.gz LTMOZKNDVIGVHD-UMVBOHGHSA-N 1 3 324.469 0.417 20 0 DCADHO CCCN1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083898 757483361 /nfs/dbraw/zinc/48/33/61/757483361.db2.gz QIPSRQBLSZSEQG-OWCLPIDISA-N 1 3 307.438 0.650 20 0 DCADHO O=C(N[C@@H]1CN(CCCC2CCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959364 757588703 /nfs/dbraw/zinc/58/87/03/757588703.db2.gz SRJSNPYPCPPBJA-CVEARBPZSA-N 1 3 321.465 0.824 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084053668 757640872 /nfs/dbraw/zinc/64/08/72/757640872.db2.gz GQOQKDCDZICDOQ-BBWFWOEESA-N 1 3 321.465 0.990 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084053668 757640878 /nfs/dbraw/zinc/64/08/78/757640878.db2.gz GQOQKDCDZICDOQ-BBWFWOEESA-N 1 3 321.465 0.990 20 0 DCADHO CN(CC(=O)N1CC2(C1)CC[NH+](CCCO)CC2)C1CCC1 ZINC001050546928 757825625 /nfs/dbraw/zinc/82/56/25/757825625.db2.gz UKNSGNZLRVEFLB-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H](O)CN1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084445641 757863694 /nfs/dbraw/zinc/86/36/94/757863694.db2.gz ADVJTVLCSCYFTO-BZUAXINKSA-N 1 3 321.465 0.776 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753440 758026185 /nfs/dbraw/zinc/02/61/85/758026185.db2.gz NEMWEPMOAJEXPU-UONOGXRCSA-N 1 3 322.453 0.126 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753440 758026196 /nfs/dbraw/zinc/02/61/96/758026196.db2.gz NEMWEPMOAJEXPU-UONOGXRCSA-N 1 3 322.453 0.126 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001051342187 758585170 /nfs/dbraw/zinc/58/51/70/758585170.db2.gz VIHHZRFLCFHHJA-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001051995404 759098109 /nfs/dbraw/zinc/09/81/09/759098109.db2.gz DFYGACMNXOIBAU-SJORKVTESA-N 1 3 320.481 0.709 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701693 759214652 /nfs/dbraw/zinc/21/46/52/759214652.db2.gz WBZWHPOAOUDWJA-OCCSQVGLSA-N 1 3 302.378 0.861 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2cncc2c1 ZINC001085701693 759214659 /nfs/dbraw/zinc/21/46/59/759214659.db2.gz WBZWHPOAOUDWJA-OCCSQVGLSA-N 1 3 302.378 0.861 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001147877863 767871017 /nfs/dbraw/zinc/87/10/17/767871017.db2.gz OIPNRGOMBJHVGJ-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001147877863 767871024 /nfs/dbraw/zinc/87/10/24/767871024.db2.gz OIPNRGOMBJHVGJ-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086278466 759945639 /nfs/dbraw/zinc/94/56/39/759945639.db2.gz XWKOQAXAWSRVPH-FQUUOJAGSA-N 1 3 310.442 0.219 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086278467 759945671 /nfs/dbraw/zinc/94/56/71/759945671.db2.gz XWKOQAXAWSRVPH-IGQOVBAYSA-N 1 3 310.442 0.219 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001155791596 760172312 /nfs/dbraw/zinc/17/23/12/760172312.db2.gz XPKCCMFHQCZUGK-AWEZNQCLSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086497274 760262729 /nfs/dbraw/zinc/26/27/29/760262729.db2.gz FOZBBUBALPZFJH-AJNGGQMLSA-N 1 3 324.469 0.608 20 0 DCADHO CN1CCC[C@H](N2CCC3(CN(C(=O)CC[NH+](C)C)C3)C2)C1=O ZINC001148211044 767936372 /nfs/dbraw/zinc/93/63/72/767936372.db2.gz ZUSAKSLPZUGOGO-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO COCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148286782 767958705 /nfs/dbraw/zinc/95/87/05/767958705.db2.gz YXRYWNAVBBUPRM-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO COCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148286782 767958712 /nfs/dbraw/zinc/95/87/12/767958712.db2.gz YXRYWNAVBBUPRM-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@H](N([C@@H]1CCC[NH2+]C1)S(C)(=O)=O)C2 ZINC001169152245 760597790 /nfs/dbraw/zinc/59/77/90/760597790.db2.gz ACWZPNKLCJNRSM-XJFOESAGSA-N 1 3 301.456 0.625 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148365718 767974577 /nfs/dbraw/zinc/97/45/77/767974577.db2.gz XQQVTLDKPCVRBI-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365667 767974746 /nfs/dbraw/zinc/97/47/46/767974746.db2.gz VUPVMMFKKYDPQM-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO Cc1nccn1CCCNC(=O)NC[C@H](C)N1CCN(C)CC1 ZINC001123486624 767985897 /nfs/dbraw/zinc/98/58/97/767985897.db2.gz GMROKXQAJUTQEC-AWEZNQCLSA-N 1 3 322.457 0.517 20 0 DCADHO Cc1nccn1CCCNC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001123486624 767985899 /nfs/dbraw/zinc/98/58/99/767985899.db2.gz GMROKXQAJUTQEC-AWEZNQCLSA-N 1 3 322.457 0.517 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209333 761136604 /nfs/dbraw/zinc/13/66/04/761136604.db2.gz ZCLCBSBIBLFWHZ-KGLIPLIRSA-N 1 3 306.414 0.124 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001070276653 761161771 /nfs/dbraw/zinc/16/17/71/761161771.db2.gz SSTPXRUCNZNRIF-RDBSUJKOSA-N 1 3 308.430 0.368 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCCS(=O)(=O)C(C)C ZINC001148656251 768024949 /nfs/dbraw/zinc/02/49/49/768024949.db2.gz YFIHVCXJFZXPMX-UHFFFAOYSA-N 1 3 321.487 0.247 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001070629137 761360259 /nfs/dbraw/zinc/36/02/59/761360259.db2.gz ARIRASCPVNWVMH-RBSFLKMASA-N 1 3 319.453 0.808 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086550871 761794038 /nfs/dbraw/zinc/79/40/38/761794038.db2.gz YYWSRRPPISMDMP-YDHLFZDLSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086550871 761794042 /nfs/dbraw/zinc/79/40/42/761794042.db2.gz YYWSRRPPISMDMP-YDHLFZDLSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001114303770 762928172 /nfs/dbraw/zinc/92/81/72/762928172.db2.gz DOWVZHVXBFTGFY-MNLARUNXSA-N 1 3 321.465 0.800 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)CC[N@H+]1C ZINC001114303770 762928177 /nfs/dbraw/zinc/92/81/77/762928177.db2.gz DOWVZHVXBFTGFY-MNLARUNXSA-N 1 3 321.465 0.800 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCCN1CCCC1=O)C1CC1 ZINC001129454557 762939556 /nfs/dbraw/zinc/93/95/56/762939556.db2.gz LTIDWZOCACORAD-HNNXBMFYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001129437060 762943241 /nfs/dbraw/zinc/94/32/41/762943241.db2.gz VKEOHTMIVDTQPX-CJNGLKHVSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129442500 762944940 /nfs/dbraw/zinc/94/49/40/762944940.db2.gz BDXUURPSTPDAQV-TZMCWYRMSA-N 1 3 312.458 0.288 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC001129443417 762945009 /nfs/dbraw/zinc/94/50/09/762945009.db2.gz JTEFEOCBGMVMMT-LSDHHAIUSA-N 1 3 313.442 0.228 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)C1CCC1 ZINC001129531757 762952821 /nfs/dbraw/zinc/95/28/21/762952821.db2.gz JBGJNNIFVBEMRA-NSHDSACASA-N 1 3 311.348 0.490 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)C1CCC1 ZINC001129531709 762953580 /nfs/dbraw/zinc/95/35/80/762953580.db2.gz GULXDPYIBARAMV-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCCO[C@H]1CCOC1)C1CCC1 ZINC001129534911 762960096 /nfs/dbraw/zinc/96/00/96/762960096.db2.gz DASQLSYFQIEMLV-HNNXBMFYSA-N 1 3 313.442 0.372 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCOCCO ZINC001176754832 770168290 /nfs/dbraw/zinc/16/82/90/770168290.db2.gz ZEOJBBJDUXKHSM-HNNXBMFYSA-N 1 3 317.474 0.600 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947375 763065903 /nfs/dbraw/zinc/06/59/03/763065903.db2.gz XCRGZMHUTBOMNU-AWEZNQCLSA-N 1 3 300.447 0.147 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107675 763129070 /nfs/dbraw/zinc/12/90/70/763129070.db2.gz VCFOQELZTCFWEL-KGLIPLIRSA-N 1 3 308.430 0.371 20 0 DCADHO O=C(CNCCNC(=O)C12CCC[NH+](CCC1)C2)N1CCCC1 ZINC001130170158 763160550 /nfs/dbraw/zinc/16/05/50/763160550.db2.gz QTVKMOMBILDDLI-UHFFFAOYSA-N 1 3 322.453 0.191 20 0 DCADHO CCCC[C@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001130173708 763162009 /nfs/dbraw/zinc/16/20/09/763162009.db2.gz LMGQGGGNRTUVLG-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186561 763165583 /nfs/dbraw/zinc/16/55/83/763165583.db2.gz ISJAPANUMDBBEQ-HOTGVXAUSA-N 1 3 319.453 0.951 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186561 763165589 /nfs/dbraw/zinc/16/55/89/763165589.db2.gz ISJAPANUMDBBEQ-HOTGVXAUSA-N 1 3 319.453 0.951 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccco1)N(C)C ZINC001130200950 763185230 /nfs/dbraw/zinc/18/52/30/763185230.db2.gz QRMUAQQBLLPCPW-GXTWGEPZSA-N 1 3 324.425 0.330 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCOC2CCC2)C[C@@H]1O ZINC001099985372 763187676 /nfs/dbraw/zinc/18/76/76/763187676.db2.gz BTZATCMYEOCRRP-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O)CC(C)(C)C ZINC001100013579 763215246 /nfs/dbraw/zinc/21/52/46/763215246.db2.gz PILGEGCLJXCKRN-UONOGXRCSA-N 1 3 317.449 0.875 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O)CC(C)(C)C ZINC001100013579 763215254 /nfs/dbraw/zinc/21/52/54/763215254.db2.gz PILGEGCLJXCKRN-UONOGXRCSA-N 1 3 317.449 0.875 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN(CC)CC)[C@H](O)C1 ZINC001100041220 763248534 /nfs/dbraw/zinc/24/85/34/763248534.db2.gz GFDMLUSRWSALBR-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN(CC)CC)[C@H](O)C1 ZINC001100041220 763248545 /nfs/dbraw/zinc/24/85/45/763248545.db2.gz GFDMLUSRWSALBR-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421825 763294437 /nfs/dbraw/zinc/29/44/37/763294437.db2.gz KRWBTGXNGWGYSJ-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421825 763294441 /nfs/dbraw/zinc/29/44/41/763294441.db2.gz KRWBTGXNGWGYSJ-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CCNC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130618235 763407423 /nfs/dbraw/zinc/40/74/23/763407423.db2.gz XFXFNFAMCQDYIX-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CCNC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130618235 763407424 /nfs/dbraw/zinc/40/74/24/763407424.db2.gz XFXFNFAMCQDYIX-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC001100460212 763590343 /nfs/dbraw/zinc/59/03/43/763590343.db2.gz UTRFHWKSBKOFOQ-RUXDESIVSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCOCCOC)C1)N(C)C ZINC001100683617 763723260 /nfs/dbraw/zinc/72/32/60/763723260.db2.gz KHNNIFFTOLXBNO-NRXISQOPSA-N 1 3 315.458 0.474 20 0 DCADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC(=O)N(CCN(C)C)CC2)C1 ZINC001170560633 763823011 /nfs/dbraw/zinc/82/30/11/763823011.db2.gz KXTAVRVJNUEQPW-KGLIPLIRSA-N 1 3 311.426 0.424 20 0 DCADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC(=O)N(CCN(C)C)CC2)C1 ZINC001170560633 763823019 /nfs/dbraw/zinc/82/30/19/763823019.db2.gz KXTAVRVJNUEQPW-KGLIPLIRSA-N 1 3 311.426 0.424 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](N2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001170560633 763823026 /nfs/dbraw/zinc/82/30/26/763823026.db2.gz KXTAVRVJNUEQPW-KGLIPLIRSA-N 1 3 311.426 0.424 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001100901896 763848112 /nfs/dbraw/zinc/84/81/12/763848112.db2.gz SXRYYRNWNNETDW-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039382 763932812 /nfs/dbraw/zinc/93/28/12/763932812.db2.gz JBYIWASVGVVDCY-UHFFFAOYSA-N 1 3 312.458 0.336 20 0 DCADHO O=C(CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)N1CCCC1 ZINC001131786064 764031728 /nfs/dbraw/zinc/03/17/28/764031728.db2.gz DFQUEBRNPSIJNV-INIZCTEOSA-N 1 3 322.453 0.189 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786553 764032731 /nfs/dbraw/zinc/03/27/31/764032731.db2.gz WTMZQKISLGUGDX-HNNXBMFYSA-N 1 3 305.426 0.500 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CC2([NH+](C)C)CCCC2)C1=O ZINC001131840332 764057145 /nfs/dbraw/zinc/05/71/45/764057145.db2.gz HOEJAGMOUKPLEP-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC2CC2)C1 ZINC001132743230 764620307 /nfs/dbraw/zinc/62/03/07/764620307.db2.gz ZEODHWSCGFPLEU-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC2CC2)C1 ZINC001132743230 764620310 /nfs/dbraw/zinc/62/03/10/764620310.db2.gz ZEODHWSCGFPLEU-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433595 764642656 /nfs/dbraw/zinc/64/26/56/764642656.db2.gz ALQGZTVPWOARLW-UMVBOHGHSA-N 1 3 324.469 0.276 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1C ZINC001102525328 764680385 /nfs/dbraw/zinc/68/03/85/764680385.db2.gz WTRQNRILOSINEL-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001102525328 764680387 /nfs/dbraw/zinc/68/03/87/764680387.db2.gz WTRQNRILOSINEL-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531689 764683127 /nfs/dbraw/zinc/68/31/27/764683127.db2.gz AEOKFTRJAQWOCB-MBNYWOFBSA-N 1 3 308.426 0.980 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531689 764683128 /nfs/dbraw/zinc/68/31/28/764683128.db2.gz AEOKFTRJAQWOCB-MBNYWOFBSA-N 1 3 308.426 0.980 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888308 764710390 /nfs/dbraw/zinc/71/03/90/764710390.db2.gz MBWKCGGQFXMCMX-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601078 764720100 /nfs/dbraw/zinc/72/01/00/764720100.db2.gz JISOTVDZJPFGHG-MCIONIFRSA-N 1 3 312.458 0.275 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102601078 764720104 /nfs/dbraw/zinc/72/01/04/764720104.db2.gz JISOTVDZJPFGHG-MCIONIFRSA-N 1 3 312.458 0.275 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001132937183 764740059 /nfs/dbraw/zinc/74/00/59/764740059.db2.gz IAEOYCSBVFZUAY-QWHCGFSZSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133288531 764907766 /nfs/dbraw/zinc/90/77/66/764907766.db2.gz ZEKVWQUZVJVSKC-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)N(C(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C)C(C)C ZINC001133291151 764908539 /nfs/dbraw/zinc/90/85/39/764908539.db2.gz KNCIAHKXUZPMOT-CQSZACIVSA-N 1 3 314.474 0.678 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)N1CCCCC1)[NH+](C)C ZINC001133415671 764956875 /nfs/dbraw/zinc/95/68/75/764956875.db2.gz JSLBPPQDUZZWIX-OAHLLOKOSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434203 764968137 /nfs/dbraw/zinc/96/81/37/764968137.db2.gz KSEILLIIOVWXJX-CHWSQXEVSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103407664 765050971 /nfs/dbraw/zinc/05/09/71/765050971.db2.gz NZFRPNGUSNXHEK-UMVBOHGHSA-N 1 3 312.458 0.132 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103433498 765055100 /nfs/dbraw/zinc/05/51/00/765055100.db2.gz FZVWUOLXVJUTNR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@H]2C)C1 ZINC001103433498 765055103 /nfs/dbraw/zinc/05/51/03/765055103.db2.gz FZVWUOLXVJUTNR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103641938 765101179 /nfs/dbraw/zinc/10/11/79/765101179.db2.gz JXKIVLUVGNOJLQ-QLFBSQMISA-N 1 3 324.469 0.148 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103641938 765101183 /nfs/dbraw/zinc/10/11/83/765101183.db2.gz JXKIVLUVGNOJLQ-QLFBSQMISA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103654874 765101510 /nfs/dbraw/zinc/10/15/10/765101510.db2.gz GTCBZPPABXVDST-ZIAGYGMSSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001133819736 765150895 /nfs/dbraw/zinc/15/08/95/765150895.db2.gz MZNOPLSMXZALIV-CQSZACIVSA-N 1 3 305.422 0.869 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC001133845456 765178614 /nfs/dbraw/zinc/17/86/14/765178614.db2.gz GIBNDNPWXLJTJK-DOTOQJQBSA-N 1 3 319.449 0.638 20 0 DCADHO C[C@@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC1CCCC1 ZINC001133849595 765181262 /nfs/dbraw/zinc/18/12/62/765181262.db2.gz AFIZBFUFGBNFJT-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC1CCCC1 ZINC001133849595 765181263 /nfs/dbraw/zinc/18/12/63/765181263.db2.gz AFIZBFUFGBNFJT-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO COCCOCC[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896646 765215425 /nfs/dbraw/zinc/21/54/25/765215425.db2.gz MRHOASKBWXKUQW-UHFFFAOYSA-N 1 3 301.431 0.087 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C)N(C)C ZINC001133968515 765261616 /nfs/dbraw/zinc/26/16/16/765261616.db2.gz XPDANGNKJKOLTA-KGLIPLIRSA-N 1 3 303.447 0.066 20 0 DCADHO C[C@H](COCC(=O)NCCNCc1cncn1C)[NH+]1CCCC1 ZINC001134054788 765313933 /nfs/dbraw/zinc/31/39/33/765313933.db2.gz SCIRCYURDGWFHW-CQSZACIVSA-N 1 3 323.441 0.127 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)C1CCC1 ZINC001134607453 765599708 /nfs/dbraw/zinc/59/97/08/765599708.db2.gz HOFTUEPXFWLCGV-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC001135513110 765966502 /nfs/dbraw/zinc/96/65/02/765966502.db2.gz GWXWMVCLRNIOBP-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513296 765967574 /nfs/dbraw/zinc/96/75/74/765967574.db2.gz LOUJWCQTJRNGCC-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001135436932 765932267 /nfs/dbraw/zinc/93/22/67/765932267.db2.gz GQKAVRWHMHAKKH-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135437131 765933886 /nfs/dbraw/zinc/93/38/86/765933886.db2.gz OOZXCAXOBCZJHZ-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001135691347 766050323 /nfs/dbraw/zinc/05/03/23/766050323.db2.gz SMCKYNMWXKICSF-KGLIPLIRSA-N 1 3 314.474 0.857 20 0 DCADHO Cc1ccncc1CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959908 766192571 /nfs/dbraw/zinc/19/25/71/766192571.db2.gz VFVCBKFWLLUPCZ-UHFFFAOYSA-N 1 3 320.437 0.707 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001135977588 766197504 /nfs/dbraw/zinc/19/75/04/766197504.db2.gz WDOHXZKYKAJDTJ-STQMWFEESA-N 1 3 321.487 0.246 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)N2CCOC[C@H]2C[NH+](C)C)c1 ZINC001144935073 767261031 /nfs/dbraw/zinc/26/10/31/767261031.db2.gz AFTNIDJRJRYQGS-ZBFHGGJFSA-N 1 3 321.421 0.354 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146591883 767485985 /nfs/dbraw/zinc/48/59/85/767485985.db2.gz HWOVCUOSBWGBKO-KBPBESRZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](CNC(=O)CNCC[NH3+])N1CCc2ccccc2C1 ZINC001121903033 767661556 /nfs/dbraw/zinc/66/15/56/767661556.db2.gz ATWSXGCQKRXLHU-MRXNPFEDSA-N 1 3 304.438 0.488 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)C2CC[NH+](CC3CC3)CC2)C1=O ZINC001147301261 767697321 /nfs/dbraw/zinc/69/73/21/767697321.db2.gz QJKCXRDAXXSHKV-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001147359913 767724071 /nfs/dbraw/zinc/72/40/71/767724071.db2.gz WVEAJXWMPGKNMX-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001147359913 767724076 /nfs/dbraw/zinc/72/40/76/767724076.db2.gz WVEAJXWMPGKNMX-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNCC4CC4)nn3)C2)C1 ZINC001093343660 768546527 /nfs/dbraw/zinc/54/65/27/768546527.db2.gz KNQJNGVUKYKYBS-CYBMUJFWSA-N 1 3 318.425 0.113 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC(n3cc(CNCC4CC4)nn3)C2)C1 ZINC001093343660 768546533 /nfs/dbraw/zinc/54/65/33/768546533.db2.gz KNQJNGVUKYKYBS-CYBMUJFWSA-N 1 3 318.425 0.113 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CC2)CCCO1)C1CC1 ZINC001149847339 768881815 /nfs/dbraw/zinc/88/18/15/768881815.db2.gz DAMWOSGQPUMRFI-HZPDHXFCSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCCO1)C1CC1 ZINC001149847339 768881830 /nfs/dbraw/zinc/88/18/30/768881830.db2.gz DAMWOSGQPUMRFI-HZPDHXFCSA-N 1 3 309.454 0.944 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CN(CCCF)CCCO2)CC1 ZINC001150186664 769032108 /nfs/dbraw/zinc/03/21/08/769032108.db2.gz SHQJIFCHUMQTIT-AWEZNQCLSA-N 1 3 315.433 0.895 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150195064 769033342 /nfs/dbraw/zinc/03/33/42/769033342.db2.gz WZXPVUDJMQCKHD-CQSZACIVSA-N 1 3 313.442 0.182 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001151066539 769251141 /nfs/dbraw/zinc/25/11/41/769251141.db2.gz VVACYZZZCJTFCJ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001151066539 769251147 /nfs/dbraw/zinc/25/11/47/769251147.db2.gz VVACYZZZCJTFCJ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001151074447 769253315 /nfs/dbraw/zinc/25/33/15/769253315.db2.gz YUDLEIDWZBSQNV-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001151074447 769253320 /nfs/dbraw/zinc/25/33/20/769253320.db2.gz YUDLEIDWZBSQNV-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](C(=O)NC1(CCOC)CC[NH+](CCO)CC1)N(C)C ZINC001151174709 769283493 /nfs/dbraw/zinc/28/34/93/769283493.db2.gz HOVZBBFTLLFDOF-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(C)C ZINC001171763239 769370563 /nfs/dbraw/zinc/37/05/63/769370563.db2.gz WFYVDGUPSOGOEX-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN([C@H]2CCN(CC)C(=O)C2)CC1 ZINC001172043866 769422475 /nfs/dbraw/zinc/42/24/75/769422475.db2.gz RQNFPHGWWRCBPB-ZDUSSCGKSA-N 1 3 311.426 0.744 20 0 DCADHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CCN(CC)C(=O)C2)CC1 ZINC001172043866 769422483 /nfs/dbraw/zinc/42/24/83/769422483.db2.gz RQNFPHGWWRCBPB-ZDUSSCGKSA-N 1 3 311.426 0.744 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001152147396 769491870 /nfs/dbraw/zinc/49/18/70/769491870.db2.gz MUIZJMWIRMIDMQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001152457108 769563668 /nfs/dbraw/zinc/56/36/68/769563668.db2.gz BTBJJGYYOQKKIE-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO CN1c2cc(C(=O)N(CCCC[NH3+])C(=N)N)ccc2CC1=O ZINC001152827192 769648436 /nfs/dbraw/zinc/64/84/36/769648436.db2.gz DGRYODMYQXHRGO-UHFFFAOYSA-N 1 3 303.366 0.280 20 0 DCADHO c1nc(CNC2CCOCC2)c2n1CCCN(CC1C[NH2+]C1)C2 ZINC001235652263 769924573 /nfs/dbraw/zinc/92/45/73/769924573.db2.gz HUCZEEOWFCZNFW-UHFFFAOYSA-N 1 3 319.453 0.577 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854560 769962467 /nfs/dbraw/zinc/96/24/67/769962467.db2.gz IPDGDCOXVHRJQX-UKRRQHHQSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854560 769962473 /nfs/dbraw/zinc/96/24/73/769962473.db2.gz IPDGDCOXVHRJQX-UKRRQHHQSA-N 1 3 315.458 0.305 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072483 770010876 /nfs/dbraw/zinc/01/08/76/770010876.db2.gz VSFPPQCPTKDRKY-CQSZACIVSA-N 1 3 306.410 0.638 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072483 770010886 /nfs/dbraw/zinc/01/08/86/770010886.db2.gz VSFPPQCPTKDRKY-CQSZACIVSA-N 1 3 306.410 0.638 20 0 DCADHO Cc1ccc2c(c1)[C@H](NS(=O)(=O)CCN)CC21CC[NH2+]CC1 ZINC001238258800 770110556 /nfs/dbraw/zinc/11/05/56/770110556.db2.gz HDKSDRURRKJMIG-OAHLLOKOSA-N 1 3 323.462 0.939 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001176760338 770167884 /nfs/dbraw/zinc/16/78/84/770167884.db2.gz VHTSBRBQKISFII-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)N(C)[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239123870 770187623 /nfs/dbraw/zinc/18/76/23/770187623.db2.gz QTBRBNSJSJJMGG-AWEZNQCLSA-N 1 3 303.472 0.730 20 0 DCADHO NCCS(=O)(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239154686 770195580 /nfs/dbraw/zinc/19/55/80/770195580.db2.gz NKQCNBPNDNZDJT-HAQNSBGRSA-N 1 3 305.444 0.026 20 0 DCADHO CCn1nncc1CNCCCNC(=O)CCC[NH+]1CCCC1 ZINC001176885026 770210819 /nfs/dbraw/zinc/21/08/19/770210819.db2.gz YLNGFUIEUBHERV-UHFFFAOYSA-N 1 3 322.457 0.770 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC(=O)N(C)C)c1 ZINC001176890382 770211926 /nfs/dbraw/zinc/21/19/26/770211926.db2.gz RUCSCQWCAFQUKF-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001176972299 770264617 /nfs/dbraw/zinc/26/46/17/770264617.db2.gz VOQXZOALZOKAFL-NSHDSACASA-N 1 3 313.364 0.736 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066832 770382864 /nfs/dbraw/zinc/38/28/64/770382864.db2.gz ODVIBSRUALEWBC-RBSFLKMASA-N 1 3 317.474 0.407 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155066832 770382876 /nfs/dbraw/zinc/38/28/76/770382876.db2.gz ODVIBSRUALEWBC-RBSFLKMASA-N 1 3 317.474 0.407 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155237819 770446353 /nfs/dbraw/zinc/44/63/53/770446353.db2.gz LIASUMCAHVVWGL-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155237819 770446365 /nfs/dbraw/zinc/44/63/65/770446365.db2.gz LIASUMCAHVVWGL-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]C[C@H](O)COC)CC1 ZINC001206654375 770460081 /nfs/dbraw/zinc/46/00/81/770460081.db2.gz WGSKNCDVIOWYMN-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001178693156 770836185 /nfs/dbraw/zinc/83/61/85/770836185.db2.gz YCEYUXBJCZUXBT-OWCLPIDISA-N 1 3 307.438 0.792 20 0 DCADHO C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001178693156 770836197 /nfs/dbraw/zinc/83/61/97/770836197.db2.gz YCEYUXBJCZUXBT-OWCLPIDISA-N 1 3 307.438 0.792 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+][C@@H](CC)C(N)=O)N(C)C ZINC001178816192 770885256 /nfs/dbraw/zinc/88/52/56/770885256.db2.gz WJCMXUKBOZSNHD-UONOGXRCSA-N 1 3 314.474 0.857 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001179978497 771042529 /nfs/dbraw/zinc/04/25/29/771042529.db2.gz CUCZADQGJAZBCP-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001179978497 771042533 /nfs/dbraw/zinc/04/25/33/771042533.db2.gz CUCZADQGJAZBCP-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCOCCOC)[C@@H]1C ZINC001179986971 771043835 /nfs/dbraw/zinc/04/38/35/771043835.db2.gz JMYJURSYLDXRGE-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)[C@@H]1C ZINC001179987403 771044747 /nfs/dbraw/zinc/04/47/47/771044747.db2.gz UZWHQRAWJMSEPM-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124709 771065941 /nfs/dbraw/zinc/06/59/41/771065941.db2.gz OFFLCHZYMKBAJV-KKUMJFAQSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124709 771065949 /nfs/dbraw/zinc/06/59/49/771065949.db2.gz OFFLCHZYMKBAJV-KKUMJFAQSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+][C@H](C)C(N)=O ZINC001180369772 771114313 /nfs/dbraw/zinc/11/43/13/771114313.db2.gz WUEPMYVOUVYBJY-CYBMUJFWSA-N 1 3 300.447 0.467 20 0 DCADHO CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653004 771327165 /nfs/dbraw/zinc/32/71/65/771327165.db2.gz TUYGPOKLUUNPGL-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001182472254 771496552 /nfs/dbraw/zinc/49/65/52/771496552.db2.gz ABRDWPVDLORHDL-CABCVRRESA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001182472254 771496555 /nfs/dbraw/zinc/49/65/55/771496555.db2.gz ABRDWPVDLORHDL-CABCVRRESA-N 1 3 322.453 0.328 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112942 771538155 /nfs/dbraw/zinc/53/81/55/771538155.db2.gz DCMLMBOPGCVKCC-CQSZACIVSA-N 1 3 303.447 0.162 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112942 771538161 /nfs/dbraw/zinc/53/81/61/771538161.db2.gz DCMLMBOPGCVKCC-CQSZACIVSA-N 1 3 303.447 0.162 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](F)CCN2)CC1 ZINC001157448934 771611532 /nfs/dbraw/zinc/61/15/32/771611532.db2.gz PLNJLSONGOHNCB-RYUDHWBXSA-N 1 3 315.389 0.350 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001183228866 771621822 /nfs/dbraw/zinc/62/18/22/771621822.db2.gz YGDRMBACBZHPQT-JKIFEVAISA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCC2CC2)C1)C1CC1 ZINC001183267895 771630953 /nfs/dbraw/zinc/63/09/53/771630953.db2.gz PXCYRCOUAOYZNW-CVEARBPZSA-N 1 3 309.454 0.944 20 0 DCADHO CCN1CCN(Cc2ccc(C(=O)N3CC(C)([NH3+])C3)cc2)CC1 ZINC001157666293 771651517 /nfs/dbraw/zinc/65/15/17/771651517.db2.gz TVRIQLKZYINIPR-UHFFFAOYSA-N 1 3 316.449 0.997 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@@](F)(C[NH3+])CC2)C1=O ZINC001157745072 771662407 /nfs/dbraw/zinc/66/24/07/771662407.db2.gz LGJZZIJZDVEGCJ-WFASDCNBSA-N 1 3 314.405 0.006 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@](F)(CO)CC1 ZINC001157936162 771697361 /nfs/dbraw/zinc/69/73/61/771697361.db2.gz YFLWLCDFYDBLBV-HIFRSBDPSA-N 1 3 313.417 0.574 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@](F)(CO)CC1 ZINC001157936162 771697365 /nfs/dbraw/zinc/69/73/65/771697365.db2.gz YFLWLCDFYDBLBV-HIFRSBDPSA-N 1 3 313.417 0.574 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158073415 771722159 /nfs/dbraw/zinc/72/21/59/771722159.db2.gz NCKWGEOTTCXPHA-AWEZNQCLSA-N 1 3 315.458 0.354 20 0 DCADHO CN(Cc1ccc(-n2cncc2C[C@@H]([NH3+])CO)nc1)C1CC1 ZINC001158209527 771741613 /nfs/dbraw/zinc/74/16/13/771741613.db2.gz WWOUEGSRUYOBQW-CYBMUJFWSA-N 1 3 301.394 0.724 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306072 771756741 /nfs/dbraw/zinc/75/67/41/771756741.db2.gz NGZYNOFEBZHPJH-HRCADAONSA-N 1 3 303.406 0.741 20 0 DCADHO CN1CCN(c2ccc(N3CC[NH2+]CC3)nn2)C2(CCCC2)C1 ZINC001158408367 771769715 /nfs/dbraw/zinc/76/97/15/771769715.db2.gz GNBYYZIUJXWKLC-UHFFFAOYSA-N 1 3 316.453 0.951 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184807218 771824049 /nfs/dbraw/zinc/82/40/49/771824049.db2.gz ZEMFLMUNMXIAOW-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001159155710 771867145 /nfs/dbraw/zinc/86/71/45/771867145.db2.gz TTWSINFVEYBYKT-ZDUSSCGKSA-N 1 3 314.409 0.091 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385849 771910136 /nfs/dbraw/zinc/91/01/36/771910136.db2.gz VNJQFUHEVCYDCK-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185400734 771912032 /nfs/dbraw/zinc/91/20/32/771912032.db2.gz GOWHLIHVJJGLPB-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1)N(C)C ZINC001185706596 771943032 /nfs/dbraw/zinc/94/30/32/771943032.db2.gz PVIVOKXBOLXAKW-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185716086 771948449 /nfs/dbraw/zinc/94/84/49/771948449.db2.gz PDSOPPGOFYWDLO-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185924442 771975976 /nfs/dbraw/zinc/97/59/76/771975976.db2.gz AVVISNQXJYWDAB-HIFRSBDPSA-N 1 3 324.425 0.176 20 0 DCADHO Cc1nccnc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159931464 771979065 /nfs/dbraw/zinc/97/90/65/771979065.db2.gz DAVKMZBWSANIIF-OAHLLOKOSA-N 1 3 305.426 0.721 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1CCC1 ZINC001159992541 771985695 /nfs/dbraw/zinc/98/56/95/771985695.db2.gz MHAIQHVPFUMYNS-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O)C1CCC1 ZINC001159997500 771986620 /nfs/dbraw/zinc/98/66/20/771986620.db2.gz PBDWTEZQGDDOAD-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186083010 771992316 /nfs/dbraw/zinc/99/23/16/771992316.db2.gz REPZSXMOXRUOKU-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001160427846 772036498 /nfs/dbraw/zinc/03/64/98/772036498.db2.gz VMMFBYOFTWVNLE-ZFWWWQNUSA-N 1 3 322.457 0.448 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001186496603 772046540 /nfs/dbraw/zinc/04/65/40/772046540.db2.gz MNUJFPLNYOVCOD-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO COC(=O)c1cccc2c1CN(C(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001160565114 772066743 /nfs/dbraw/zinc/06/67/43/772066743.db2.gz MZESAFLWHLBFBF-ZDUSSCGKSA-N 1 3 323.418 0.335 20 0 DCADHO CC1(N2CCOCC2)CCN(C(=O)CNC2CC[NH2+]CC2)CC1 ZINC001160669840 772090762 /nfs/dbraw/zinc/09/07/62/772090762.db2.gz NFDTWTAVBREAPH-UHFFFAOYSA-N 1 3 324.469 0.041 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186817067 772095038 /nfs/dbraw/zinc/09/50/38/772095038.db2.gz JSDQELSWVZCTOF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186817067 772095044 /nfs/dbraw/zinc/09/50/44/772095044.db2.gz JSDQELSWVZCTOF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C1CC1 ZINC001186817465 772095785 /nfs/dbraw/zinc/09/57/85/772095785.db2.gz SOUCFNXYPRUOKG-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C1CC1 ZINC001186817465 772095790 /nfs/dbraw/zinc/09/57/90/772095790.db2.gz SOUCFNXYPRUOKG-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)C[C@H]1COCCN1C(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001160837928 772119619 /nfs/dbraw/zinc/11/96/19/772119619.db2.gz GCCDGYRALOXSEE-RDJZCZTQSA-N 1 3 323.412 0.875 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160965126 772143476 /nfs/dbraw/zinc/14/34/76/772143476.db2.gz SZLZDTOBQFXUTQ-QDEZUTFSSA-N 1 3 324.469 0.275 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001187298327 772170800 /nfs/dbraw/zinc/17/08/00/772170800.db2.gz BQTPRNDUFUQJFB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001187298327 772170804 /nfs/dbraw/zinc/17/08/04/772170804.db2.gz BQTPRNDUFUQJFB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO N[C@@H](C(=O)N1CCC(N2CCCOC2=O)CC1)C1CC[NH2+]CC1 ZINC001161264449 772193525 /nfs/dbraw/zinc/19/35/25/772193525.db2.gz NDGVWOSKWWSQNC-CQSZACIVSA-N 1 3 324.425 0.147 20 0 DCADHO Cc1cc(O[C@@H]2CCCN(C(=O)[C@H](N)CCC[NH3+])C2)ncn1 ZINC001161308641 772200593 /nfs/dbraw/zinc/20/05/93/772200593.db2.gz GNJZHWUNMQATPK-CHWSQXEVSA-N 1 3 307.398 0.221 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161315301 772202759 /nfs/dbraw/zinc/20/27/59/772202759.db2.gz ATYKLTUCBFMCPX-AWEZNQCLSA-N 1 3 322.453 0.304 20 0 DCADHO COc1ccc(O[C@H]2CCCN(C(=O)[C@H](N)CCC[NH3+])C2)nc1 ZINC001161368002 772211915 /nfs/dbraw/zinc/21/19/15/772211915.db2.gz ARWDCDGPWFRKOF-UONOGXRCSA-N 1 3 322.409 0.526 20 0 DCADHO CN(C)CCN(C(=O)Cc1ccccc1N)[C@H]1CCC[NH2+]C1 ZINC001161447247 772224701 /nfs/dbraw/zinc/22/47/01/772224701.db2.gz WLIPYVWADCNSCJ-HNNXBMFYSA-N 1 3 304.438 0.954 20 0 DCADHO CCOC(=O)C[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1C ZINC001161499167 772235270 /nfs/dbraw/zinc/23/52/70/772235270.db2.gz INSCSIPKAOZTCA-MCIONIFRSA-N 1 3 313.442 0.881 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511355 772237525 /nfs/dbraw/zinc/23/75/25/772237525.db2.gz YWPLGTHTLRVXTP-ZFWWWQNUSA-N 1 3 307.369 0.272 20 0 DCADHO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(C(=O)NC2CCN(C)CC2)nn1 ZINC001162673356 772404394 /nfs/dbraw/zinc/40/43/94/772404394.db2.gz NGBDCJPMEMSPGA-DGCLKSJQSA-N 1 3 318.425 0.463 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165484991 772742366 /nfs/dbraw/zinc/74/23/66/772742366.db2.gz JCPVATSZPKXFJL-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001166627190 772831315 /nfs/dbraw/zinc/83/13/15/772831315.db2.gz RSULTJRJCKHPLA-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)ncn1 ZINC001166677964 772838980 /nfs/dbraw/zinc/83/89/80/772838980.db2.gz RGZGFCBYPCOPQL-ZDUSSCGKSA-N 1 3 305.426 0.723 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001166678861 772840559 /nfs/dbraw/zinc/84/05/59/772840559.db2.gz WZFKPZMEKBSGIP-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2)CC(C)(C)C ZINC001203427100 772906112 /nfs/dbraw/zinc/90/61/12/772906112.db2.gz SOJYDHWEUMODDQ-OLZOCXBDSA-N 1 3 324.469 0.467 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705330 772920233 /nfs/dbraw/zinc/92/02/33/772920233.db2.gz UTEDSSAZKVDDLQ-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001204797731 772962057 /nfs/dbraw/zinc/96/20/57/772962057.db2.gz BATIKWPIPBKTGP-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC001192948664 772977353 /nfs/dbraw/zinc/97/73/53/772977353.db2.gz VAVNCTIRKKHQIO-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC001192948664 772977356 /nfs/dbraw/zinc/97/73/56/772977356.db2.gz VAVNCTIRKKHQIO-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC(C[NH2+]CCF)CC1 ZINC001205345282 772988463 /nfs/dbraw/zinc/98/84/63/772988463.db2.gz OBHDIDGLNFGAFU-GJZGRUSLSA-N 1 3 313.417 0.647 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193016203 772996293 /nfs/dbraw/zinc/99/62/93/772996293.db2.gz UTFQIALKOBDYCX-LSXCDAKCSA-N 1 3 321.465 0.846 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001206273849 773060686 /nfs/dbraw/zinc/06/06/86/773060686.db2.gz AYHUETSHGQJHTC-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CCOCC(F)F)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194000687 773142694 /nfs/dbraw/zinc/14/26/94/773142694.db2.gz CXLDWLHVVXDMSI-CHWSQXEVSA-N 1 3 319.396 0.753 20 0 DCADHO CN(CCOCC(F)F)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194000687 773142698 /nfs/dbraw/zinc/14/26/98/773142698.db2.gz CXLDWLHVVXDMSI-CHWSQXEVSA-N 1 3 319.396 0.753 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290179 773178453 /nfs/dbraw/zinc/17/84/53/773178453.db2.gz PXCVSOKCTCLDJU-HZPDHXFCSA-N 1 3 320.437 0.869 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207684258 773268907 /nfs/dbraw/zinc/26/89/07/773268907.db2.gz LULIKSKBHBAYHP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001207685081 773269343 /nfs/dbraw/zinc/26/93/43/773269343.db2.gz WFQIYYUBWUQIOK-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688169 773270374 /nfs/dbraw/zinc/27/03/74/773270374.db2.gz MOXKPVUJDWXQPC-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208014153 773372557 /nfs/dbraw/zinc/37/25/57/773372557.db2.gz NAVPYFGWVUPZTH-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208014153 773372567 /nfs/dbraw/zinc/37/25/67/773372567.db2.gz NAVPYFGWVUPZTH-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001208330869 773436064 /nfs/dbraw/zinc/43/60/64/773436064.db2.gz HCFUKMUHIYTICI-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335579 773437102 /nfs/dbraw/zinc/43/71/02/773437102.db2.gz WAFOKCWAMUOENA-GOEBONIOSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NCCNCC(=O)N1CCCCC1 ZINC001152224082 773443894 /nfs/dbraw/zinc/44/38/94/773443894.db2.gz RJPYZOOUWAQIKW-UHFFFAOYSA-N 1 3 324.469 0.581 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001208413950 773455889 /nfs/dbraw/zinc/45/58/89/773455889.db2.gz DVGIDXUPKZGNRL-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490650 773476580 /nfs/dbraw/zinc/47/65/80/773476580.db2.gz FVTMGISYLUCUKI-UKRRQHHQSA-N 1 3 320.437 0.274 20 0 DCADHO C[C@@H](NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001209444043 773604105 /nfs/dbraw/zinc/60/41/05/773604105.db2.gz BXTGQVOPVKAGLG-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCc1nc([C@@H](C)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209455465 773607336 /nfs/dbraw/zinc/60/73/36/773607336.db2.gz SVUZRGGGZSZIDG-OLZOCXBDSA-N 1 3 322.457 0.960 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC001210482990 773712057 /nfs/dbraw/zinc/71/20/57/773712057.db2.gz UFVFJVFZPJBFHP-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC001210482990 773712058 /nfs/dbraw/zinc/71/20/58/773712058.db2.gz UFVFJVFZPJBFHP-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC001210788348 773738250 /nfs/dbraw/zinc/73/82/50/773738250.db2.gz BTBZKQWCUGGVEJ-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001211241091 773784245 /nfs/dbraw/zinc/78/42/45/773784245.db2.gz RVVJBEODRXHOMA-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001211268621 773787557 /nfs/dbraw/zinc/78/75/57/773787557.db2.gz KJMTWASQPCQXCL-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO COCCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368453 773837792 /nfs/dbraw/zinc/83/77/92/773837792.db2.gz AIZGTWJWCHKFHQ-HUUCEWRRSA-N 1 3 313.442 0.180 20 0 DCADHO C[C@H](NCCNC(=O)c1ccccc1C[NH+](C)C)C(=O)N(C)C ZINC001152383638 773839061 /nfs/dbraw/zinc/83/90/61/773839061.db2.gz JBPPKOOPDJGOLC-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213859929 773895133 /nfs/dbraw/zinc/89/51/33/773895133.db2.gz OEOMPVWJXYCJCH-RRFJBIMHSA-N 1 3 313.442 0.180 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213859929 773895140 /nfs/dbraw/zinc/89/51/40/773895140.db2.gz OEOMPVWJXYCJCH-RRFJBIMHSA-N 1 3 313.442 0.180 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001152457428 773932699 /nfs/dbraw/zinc/93/26/99/773932699.db2.gz DODAHUUZALQCKN-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214779957 774014230 /nfs/dbraw/zinc/01/42/30/774014230.db2.gz FBOIEKRRBYOYPJ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214779957 774014234 /nfs/dbraw/zinc/01/42/34/774014234.db2.gz FBOIEKRRBYOYPJ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001203924531 774014484 /nfs/dbraw/zinc/01/44/84/774014484.db2.gz BNJSNBGHKMEPAY-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847934 774018719 /nfs/dbraw/zinc/01/87/19/774018719.db2.gz ZIHWZGBBWNIUBW-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001215571856 774083652 /nfs/dbraw/zinc/08/36/52/774083652.db2.gz XPXYMLUSOIAZHU-MCIONIFRSA-N 1 3 312.458 0.288 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001216002575 774099224 /nfs/dbraw/zinc/09/92/24/774099224.db2.gz VVIPXPJQFUBHRU-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001216464151 774118220 /nfs/dbraw/zinc/11/82/20/774118220.db2.gz LXFCLEIYWUAYBT-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001199787861 774198562 /nfs/dbraw/zinc/19/85/62/774198562.db2.gz FWSWPNHKRRHNOP-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CCCC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001199787859 774198666 /nfs/dbraw/zinc/19/86/66/774198666.db2.gz FWSWPNHKRRHNOP-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788483 774199017 /nfs/dbraw/zinc/19/90/17/774199017.db2.gz RNLJOFCHXKVITI-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001218326239 774220835 /nfs/dbraw/zinc/22/08/35/774220835.db2.gz JUQYHHVMLZXHLL-SFDCQRBFSA-N 1 3 319.405 0.337 20 0 DCADHO O=C(Nc1ncnc2sccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218514969 774233826 /nfs/dbraw/zinc/23/38/26/774233826.db2.gz GQPPPKYGXKVFLU-YMTOWFKASA-N 1 3 303.391 0.829 20 0 DCADHO CCOC(=O)c1cc[nH]c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218542295 774241696 /nfs/dbraw/zinc/24/16/96/774241696.db2.gz XDNOJZVRBZVMHT-MEBBXXQBSA-N 1 3 306.366 0.329 20 0 DCADHO N[C@@H](C(=O)Nc1ccnn1Cc1cccnc1)C1CC[NH2+]CC1 ZINC001218564029 774248841 /nfs/dbraw/zinc/24/88/41/774248841.db2.gz HITJJKPCVXMGKN-OAHLLOKOSA-N 1 3 314.393 0.592 20 0 DCADHO COc1ccc2ncc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2c1 ZINC001218629450 774267805 /nfs/dbraw/zinc/26/78/05/774267805.db2.gz YCRFDJCHBOPTML-AWEZNQCLSA-N 1 3 312.373 0.991 20 0 DCADHO O=C(Nc1cc([C@H]2CCCN2)no1)c1cnc2n1CC[NH2+]CC2 ZINC001218711857 774286360 /nfs/dbraw/zinc/28/63/60/774286360.db2.gz FFNXPIQFXRZZPJ-SNVBAGLBSA-N 1 3 316.365 0.694 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001218714450 774287591 /nfs/dbraw/zinc/28/75/91/774287591.db2.gz YSLHVFNOWMZGQP-XRRVDJEJSA-N 1 3 306.366 0.805 20 0 DCADHO O=C(Nc1cnn2cc(F)ccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218799133 774304783 /nfs/dbraw/zinc/30/47/83/774304783.db2.gz FALIRPGCZRIPLN-MEBBXXQBSA-N 1 3 303.341 0.611 20 0 DCADHO O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218836503 774312603 /nfs/dbraw/zinc/31/26/03/774312603.db2.gz JZAPYKKVTQQWDH-CQSZACIVSA-N 1 3 312.377 0.074 20 0 DCADHO CC1(C)c2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2NC1=O ZINC001218978180 774338473 /nfs/dbraw/zinc/33/84/73/774338473.db2.gz QVFKENTXVZWXAN-GFCCVEGCSA-N 1 3 314.389 0.664 20 0 DCADHO N[C@H](C(=O)Nc1cccc(-n2nccn2)c1)C1CC[NH2+]CC1 ZINC001218985153 774341186 /nfs/dbraw/zinc/34/11/86/774341186.db2.gz WREHBQZGWPCXPE-AWEZNQCLSA-N 1 3 300.366 0.533 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219028010 774350802 /nfs/dbraw/zinc/35/08/02/774350802.db2.gz LKMQGAJOTSKARP-BLLLJJGKSA-N 1 3 302.378 0.059 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688765 774393693 /nfs/dbraw/zinc/39/36/93/774393693.db2.gz VSEDMLITFLQBNY-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1)C1CCC1 ZINC001200704995 774394962 /nfs/dbraw/zinc/39/49/62/774394962.db2.gz SFBQOKIRDKXVTJ-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO COCCCN(C(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccc1N ZINC001219278788 774432791 /nfs/dbraw/zinc/43/27/91/774432791.db2.gz XCVMPKWMHRPMLX-ZDUSSCGKSA-N 1 3 318.421 0.447 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]CCOCCO)CC2)CCC1 ZINC001201037568 774443727 /nfs/dbraw/zinc/44/37/27/774443727.db2.gz MQSNSYJLWCKTBX-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)(C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)N1CCCC1 ZINC001201129270 774459452 /nfs/dbraw/zinc/45/94/52/774459452.db2.gz NNYZTDABESAGKB-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2 ZINC001219365075 774464820 /nfs/dbraw/zinc/46/48/20/774464820.db2.gz UERMXUIRDUBEDA-AWEZNQCLSA-N 1 3 302.378 0.810 20 0 DCADHO CN1Cc2cc(NC(=O)[C@H](N)CCC[NH3+])ccc2N(C)C1=O ZINC001219393667 774476438 /nfs/dbraw/zinc/47/64/38/774476438.db2.gz QDNQHOHPUZFTJC-GFCCVEGCSA-N 1 3 305.382 0.693 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201402203 774500810 /nfs/dbraw/zinc/50/08/10/774500810.db2.gz BRJIZEVGVIJTJW-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCF)C2)C1 ZINC001201420643 774507288 /nfs/dbraw/zinc/50/72/88/774507288.db2.gz NLIOZSURYGPTOI-AWEZNQCLSA-N 1 3 315.433 0.895 20 0 DCADHO CC[C@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1)OC ZINC001201480851 774519745 /nfs/dbraw/zinc/51/97/45/774519745.db2.gz BFWHWKSMGZPCKC-HUUCEWRRSA-N 1 3 324.425 0.584 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614273 774557919 /nfs/dbraw/zinc/55/79/19/774557919.db2.gz WEHKGZOSQYMNCC-JQWIXIFHSA-N 1 3 324.347 0.031 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)C1 ZINC001219648790 774571235 /nfs/dbraw/zinc/57/12/35/774571235.db2.gz AARABXWPNMDQQX-RWMBFGLXSA-N 1 3 313.442 0.797 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656108 774573143 /nfs/dbraw/zinc/57/31/43/774573143.db2.gz LDZSOZHHNVAGGO-GKEZSVGLSA-N 1 3 309.454 0.844 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656108 774573148 /nfs/dbraw/zinc/57/31/48/774573148.db2.gz LDZSOZHHNVAGGO-GKEZSVGLSA-N 1 3 309.454 0.844 20 0 DCADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1csc([C@@H]2CCCN2)n1 ZINC001219739558 774595065 /nfs/dbraw/zinc/59/50/65/774595065.db2.gz RFYAEGBCNMGYMD-MNOVXSKESA-N 1 3 322.434 0.676 20 0 DCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813594 774617228 /nfs/dbraw/zinc/61/72/28/774617228.db2.gz WIUPRFCDYVYVJX-BQFCYCMXSA-N 1 3 315.417 0.443 20 0 DCADHO N[C@@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C12CC3CC(CC(C3)C1)C2 ZINC001219856636 774629985 /nfs/dbraw/zinc/62/99/85/774629985.db2.gz VPIKRTHKCZAVOV-JLTPRTBKSA-N 1 3 319.449 0.633 20 0 DCADHO Cc1nnc([C@H](C)NC2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001202330567 774636888 /nfs/dbraw/zinc/63/68/88/774636888.db2.gz JQZKKASSQMLWNO-NSHDSACASA-N 1 3 308.430 0.706 20 0 DCADHO N=c1sc2c(n1C(=O)[C@@H](N)C1CCC(O)CC1)CC[C@H]([NH3+])C2 ZINC001220025190 774674232 /nfs/dbraw/zinc/67/42/32/774674232.db2.gz JPWYNZKKYSDBMQ-CGESOROHSA-N 1 3 324.450 0.364 20 0 DCADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001220043328 774679239 /nfs/dbraw/zinc/67/92/39/774679239.db2.gz NXFKXDZCBLMNAM-INIZCTEOSA-N 1 3 317.368 0.869 20 0 DCADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001220043406 774679655 /nfs/dbraw/zinc/67/96/55/774679655.db2.gz PYSDGQLVEYWHPQ-HNNXBMFYSA-N 1 3 311.389 0.512 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC001202487486 774697713 /nfs/dbraw/zinc/69/77/13/774697713.db2.gz LHJGRBJSJPPATJ-OAHLLOKOSA-N 1 3 319.449 0.847 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC001202487486 774697715 /nfs/dbraw/zinc/69/77/15/774697715.db2.gz LHJGRBJSJPPATJ-OAHLLOKOSA-N 1 3 319.449 0.847 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163881 774716048 /nfs/dbraw/zinc/71/60/48/774716048.db2.gz WJSUVQDXZHVNIY-LOUJCGABSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(=O)N(C)C ZINC001202496513 774728722 /nfs/dbraw/zinc/72/87/22/774728722.db2.gz TXSQALUHDCYFOC-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](F)CCN2)CC1 ZINC001220200172 774731702 /nfs/dbraw/zinc/73/17/02/774731702.db2.gz CFGSPWBQJZERSS-JSGCOSHPSA-N 1 3 301.406 0.694 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230921 774741107 /nfs/dbraw/zinc/74/11/07/774741107.db2.gz UWGVWAOGPURSSS-CABCVRRESA-N 1 3 311.470 0.926 20 0 DCADHO O=C(NCc1ncn2c1CNCCC2)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001220311717 774767147 /nfs/dbraw/zinc/76/71/47/774767147.db2.gz PUXFNUJKKOHPCR-XYYAHUGASA-N 1 3 303.410 0.238 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cccnc1N1CCCC1 ZINC001220398929 774795305 /nfs/dbraw/zinc/79/53/05/774795305.db2.gz SROCZUJWJZBVMB-AWEZNQCLSA-N 1 3 305.426 0.754 20 0 DCADHO N[C@@H](C(=O)N[C@H]1CCc2ccc(O)cc2C1)C1CC[NH2+]CC1 ZINC001220591913 774858411 /nfs/dbraw/zinc/85/84/11/774858411.db2.gz BQEAUWPGHLVQJB-GOEBONIOSA-N 1 3 303.406 0.693 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)N(C)CC)CC1)N(C)C ZINC001202531170 774883817 /nfs/dbraw/zinc/88/38/17/774883817.db2.gz ALLBLCAUXKZEMC-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755818 774908543 /nfs/dbraw/zinc/90/85/43/774908543.db2.gz XAUZCRQECPVSFU-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755818 774908549 /nfs/dbraw/zinc/90/85/49/774908549.db2.gz XAUZCRQECPVSFU-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768573 774910974 /nfs/dbraw/zinc/91/09/74/774910974.db2.gz RYULACDITMSRLS-JGUVHBTRSA-N 1 3 313.442 0.082 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@@H]1O ZINC001220825712 774926189 /nfs/dbraw/zinc/92/61/89/774926189.db2.gz CLJCBIJXUVHWDI-MCIONIFRSA-N 1 3 303.422 0.628 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@@H]1O ZINC001220825712 774926200 /nfs/dbraw/zinc/92/62/00/774926200.db2.gz CLJCBIJXUVHWDI-MCIONIFRSA-N 1 3 303.422 0.628 20 0 DCADHO O=C(NCC1(c2cnccn2)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220992201 774972669 /nfs/dbraw/zinc/97/26/69/774972669.db2.gz HXOGYWAGEQSPCX-CYBMUJFWSA-N 1 3 315.421 0.499 20 0 DCADHO O=C(NCC1(c2cnccn2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220992201 774972674 /nfs/dbraw/zinc/97/26/74/774972674.db2.gz HXOGYWAGEQSPCX-CYBMUJFWSA-N 1 3 315.421 0.499 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202666792 774984341 /nfs/dbraw/zinc/98/43/41/774984341.db2.gz BMMUKBMIXWUXIN-UHFFFAOYSA-N 1 3 321.425 0.305 20 0 DCADHO N[C@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)C1CCC(O)CC1 ZINC001221060478 774986624 /nfs/dbraw/zinc/98/66/24/774986624.db2.gz BJJSAVGUZCDZNU-KWCHVYNWSA-N 1 3 309.385 0.996 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073130 774990399 /nfs/dbraw/zinc/99/03/99/774990399.db2.gz HPEOFIIKDCTCRO-KFWWJZLASA-N 1 3 315.433 0.772 20 0 DCADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)c1[nH]nc2c1CCNC2 ZINC001221251937 775044555 /nfs/dbraw/zinc/04/45/55/775044555.db2.gz MQMXRQQVXPFHNU-MRXNPFEDSA-N 1 3 303.410 0.708 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCC[C@H]1COc2ccccc2O1 ZINC001221295194 775057910 /nfs/dbraw/zinc/05/79/10/775057910.db2.gz BKJFTZCJTPIXPS-STQMWFEESA-N 1 3 307.394 0.789 20 0 DCADHO Cn1ncc2c1cccc2CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221305608 775062154 /nfs/dbraw/zinc/06/21/54/775062154.db2.gz FXCFWHNJLIUKQF-HNNXBMFYSA-N 1 3 301.394 0.516 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cnn(-c2ccccc2)c(=O)c1 ZINC001221328765 775069774 /nfs/dbraw/zinc/06/97/74/775069774.db2.gz FHKQKAWUHIMCLO-AWEZNQCLSA-N 1 3 315.377 0.627 20 0 DCADHO O=C(N[C@@H](c1ccccc1)c1cccnn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221386826 775082198 /nfs/dbraw/zinc/08/21/98/775082198.db2.gz WPEYNEGQLCFYED-HOCLYGCPSA-N 1 3 323.400 0.491 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)NC1 ZINC001221390551 775083852 /nfs/dbraw/zinc/08/38/52/775083852.db2.gz FABQGYUMEYNOSV-WMLDXEAASA-N 1 3 302.422 0.554 20 0 DCADHO O=C(NCCOc1ccncc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221393504 775085011 /nfs/dbraw/zinc/08/50/11/775085011.db2.gz FHDCERRUTIWLCZ-CQSZACIVSA-N 1 3 304.394 0.451 20 0 DCADHO O=C(NCCOc1ccncc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221393504 775085014 /nfs/dbraw/zinc/08/50/14/775085014.db2.gz FHDCERRUTIWLCZ-CQSZACIVSA-N 1 3 304.394 0.451 20 0 DCADHO O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1CNCc2ccnn2C1 ZINC001221410175 775092063 /nfs/dbraw/zinc/09/20/63/775092063.db2.gz QCBZBOBSPBNSEZ-HIFRSBDPSA-N 1 3 303.410 0.107 20 0 DCADHO C[C@H](O)CCCN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949576 775233512 /nfs/dbraw/zinc/23/35/12/775233512.db2.gz CFSSKLXRGKTRAB-ARFHVFGLSA-N 1 3 321.465 0.776 20 0 DCADHO CCOC(=O)[C@@H]1CNCCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC001222081412 775264880 /nfs/dbraw/zinc/26/48/80/775264880.db2.gz WOFGHUPAOSOKGZ-NSHDSACASA-N 1 3 310.423 0.126 20 0 DCADHO c1cc2c(cc1CN1CCOC[C@]3(CNCCO3)C1)C[NH2+]CC2 ZINC001222190924 775295795 /nfs/dbraw/zinc/29/57/95/775295795.db2.gz GNSCIOBAVBZBQF-SFHVURJKSA-N 1 3 317.433 0.523 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407919 775342637 /nfs/dbraw/zinc/34/26/37/775342637.db2.gz RXYBGFFHLIBYJH-UHFFFAOYSA-N 1 3 322.478 0.991 20 0 DCADHO FC(F)(F)c1cnc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)[nH]1 ZINC001222497731 775368370 /nfs/dbraw/zinc/36/83/70/775368370.db2.gz YHIVHAPDGOSGJF-UWVGGRQHSA-N 1 3 303.332 0.954 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223472729 775493505 /nfs/dbraw/zinc/49/35/05/775493505.db2.gz ULGYLJRIAPSVEY-IUODEOHRSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001229909503 776237102 /nfs/dbraw/zinc/23/71/02/776237102.db2.gz XOCSKBKDFJATNO-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(CCc2cnn(C)c2)CC1 ZINC001229909503 776237107 /nfs/dbraw/zinc/23/71/07/776237107.db2.gz XOCSKBKDFJATNO-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCOCC3CC3)CC2)C1 ZINC001230262509 776271345 /nfs/dbraw/zinc/27/13/45/776271345.db2.gz CUUHIVDGVXFOAX-HNNXBMFYSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCOCC3CC3)CC2)C1 ZINC001230262509 776271351 /nfs/dbraw/zinc/27/13/51/776271351.db2.gz CUUHIVDGVXFOAX-HNNXBMFYSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358683 777226088 /nfs/dbraw/zinc/22/60/88/777226088.db2.gz PRMVZNQOYQYDIO-RHSMWYFYSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358683 777226094 /nfs/dbraw/zinc/22/60/94/777226094.db2.gz PRMVZNQOYQYDIO-RHSMWYFYSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C(=O)CN1CC[C@@]2(C1)CCC[N@H+](CCN1CCCC1)C2 ZINC001278055974 945119693 /nfs/dbraw/zinc/11/96/93/945119693.db2.gz QAJUGPGMMKYAMS-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CN(C)C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](CCN1CCCC1)C2 ZINC001278055974 945119697 /nfs/dbraw/zinc/11/96/97/945119697.db2.gz QAJUGPGMMKYAMS-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001317708667 945167785 /nfs/dbraw/zinc/16/77/85/945167785.db2.gz LDICTCSZGQRGPZ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001317708667 945167788 /nfs/dbraw/zinc/16/77/88/945167788.db2.gz LDICTCSZGQRGPZ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001278302301 945213733 /nfs/dbraw/zinc/21/37/33/945213733.db2.gz VNPPJHRNWXHQIW-TZMCWYRMSA-N 1 3 310.398 0.194 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)CCC[NH+]1CCCC1 ZINC001267109212 939346514 /nfs/dbraw/zinc/34/65/14/939346514.db2.gz FEKZFENFBOINQA-UHFFFAOYSA-N 1 3 307.442 0.844 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CCC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001414157866 939361885 /nfs/dbraw/zinc/36/18/85/939361885.db2.gz LJIKWVJORSFYAB-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CN(C)C1CCC1 ZINC001267168481 939367822 /nfs/dbraw/zinc/36/78/22/939367822.db2.gz BXUNDKLRHSQAQK-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CN(C)C1CCC1 ZINC001267168481 939367825 /nfs/dbraw/zinc/36/78/25/939367825.db2.gz BXUNDKLRHSQAQK-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001267387112 939445101 /nfs/dbraw/zinc/44/51/01/939445101.db2.gz GSIZIMIJODIZAW-HNNXBMFYSA-N 1 3 307.442 0.919 20 0 DCADHO C[N@H+](CCOCCO)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267603565 939551383 /nfs/dbraw/zinc/55/13/83/939551383.db2.gz YJDSFSKTGXNBCI-UHFFFAOYSA-N 1 3 324.425 0.132 20 0 DCADHO C[N@@H+](CCOCCO)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267603565 939551385 /nfs/dbraw/zinc/55/13/85/939551385.db2.gz YJDSFSKTGXNBCI-UHFFFAOYSA-N 1 3 324.425 0.132 20 0 DCADHO O=C(NCCN(CCO)C1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001481174218 939595500 /nfs/dbraw/zinc/59/55/00/939595500.db2.gz UOPFINDUCWAJOO-MRXNPFEDSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCO)C1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001481174218 939595501 /nfs/dbraw/zinc/59/55/01/939595501.db2.gz UOPFINDUCWAJOO-MRXNPFEDSA-N 1 3 309.454 0.966 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001481245612 939667227 /nfs/dbraw/zinc/66/72/27/939667227.db2.gz LDTJFLJMEITEPD-CYBMUJFWSA-N 1 3 315.849 0.925 20 0 DCADHO CN(CC(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C1CCC1 ZINC001408829999 939685058 /nfs/dbraw/zinc/68/50/58/939685058.db2.gz DNYFQTBRRGFKIU-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315229 939743115 /nfs/dbraw/zinc/74/31/15/939743115.db2.gz SXARNQDPARYGAH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481315229 939743116 /nfs/dbraw/zinc/74/31/16/939743116.db2.gz SXARNQDPARYGAH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001481320093 939746918 /nfs/dbraw/zinc/74/69/18/939746918.db2.gz VKZFLXZRSQEMRX-UHFFFAOYSA-N 1 3 308.430 0.537 20 0 DCADHO CNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481444034 939794536 /nfs/dbraw/zinc/79/45/36/939794536.db2.gz JHTKWXNHNKZLBO-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001268399865 940104800 /nfs/dbraw/zinc/10/48/00/940104800.db2.gz NCXZPBHRXRZOJG-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001481904398 940176626 /nfs/dbraw/zinc/17/66/26/940176626.db2.gz PPPBJUYCDZTXJM-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001481988435 940201213 /nfs/dbraw/zinc/20/12/13/940201213.db2.gz QZBARBVXBFOTEF-ZFWWWQNUSA-N 1 3 312.458 0.276 20 0 DCADHO OCCc1ccc(OC[C@H](O)CNC[C@H]2CCC[NH2+]C2)cc1 ZINC001245980292 945304943 /nfs/dbraw/zinc/30/49/43/945304943.db2.gz IFJWWZZXINSPCJ-JKSUJKDBSA-N 1 3 308.422 0.550 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O)N(C)C ZINC001482064964 940241918 /nfs/dbraw/zinc/24/19/18/940241918.db2.gz ABIBSEPJCVRVJM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@H](O)COc1ccc(CCO)cc1 ZINC001245986292 945307060 /nfs/dbraw/zinc/30/70/60/945307060.db2.gz XHZAIOJKVBOGGA-XIRDDKMYSA-N 1 3 322.449 0.939 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)ncn1 ZINC001482143702 940281609 /nfs/dbraw/zinc/28/16/09/940281609.db2.gz OYJLLYDZTVFBLH-UONOGXRCSA-N 1 3 319.453 0.969 20 0 DCADHO CN1CC[C@@H](NC/C=C/CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001268597350 940288933 /nfs/dbraw/zinc/28/89/33/940288933.db2.gz RHLXCFXYDWVNTK-NHZBNJEXSA-N 1 3 322.453 0.211 20 0 DCADHO COc1nccc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001482169859 940292004 /nfs/dbraw/zinc/29/20/04/940292004.db2.gz WXSCDEPOICKNOY-OLZOCXBDSA-N 1 3 321.425 0.279 20 0 DCADHO COc1nccc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001482169859 940292007 /nfs/dbraw/zinc/29/20/07/940292007.db2.gz WXSCDEPOICKNOY-OLZOCXBDSA-N 1 3 321.425 0.279 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCn1cccn1 ZINC001268647702 940316467 /nfs/dbraw/zinc/31/64/67/940316467.db2.gz DBHPHOXRMUVUHO-HUUCEWRRSA-N 1 3 307.442 0.852 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)NC1CC1 ZINC001268801248 940365964 /nfs/dbraw/zinc/36/59/64/940365964.db2.gz DOJLSLHSYHXWEL-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001409999718 945320165 /nfs/dbraw/zinc/32/01/65/945320165.db2.gz PXGYZCRFXWPUNV-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001409999718 945320173 /nfs/dbraw/zinc/32/01/73/945320173.db2.gz PXGYZCRFXWPUNV-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCOC(=O)[C@]12C[N@H+](C[C@H](O)COC(C)C)C[C@H]1CNCC2 ZINC001246047764 945327464 /nfs/dbraw/zinc/32/74/64/945327464.db2.gz SYHSCRNLDLUYNZ-IJEWVQPXSA-N 1 3 314.426 0.247 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+](C[C@H](O)COC(C)C)C[C@H]1CNCC2 ZINC001246047764 945327469 /nfs/dbraw/zinc/32/74/69/945327469.db2.gz SYHSCRNLDLUYNZ-IJEWVQPXSA-N 1 3 314.426 0.247 20 0 DCADHO Nc1ccc2c(c1)CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246051509 945329089 /nfs/dbraw/zinc/32/90/89/945329089.db2.gz JEQMRJOLUIZDOA-MRXNPFEDSA-N 1 3 305.422 0.492 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001482369173 941025857 /nfs/dbraw/zinc/02/58/57/941025857.db2.gz LESCCBZWJIUYSL-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001409062159 941301920 /nfs/dbraw/zinc/30/19/20/941301920.db2.gz FJKNSXHBJCCUAK-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001409062159 941301923 /nfs/dbraw/zinc/30/19/23/941301923.db2.gz FJKNSXHBJCCUAK-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001482475869 941306599 /nfs/dbraw/zinc/30/65/99/941306599.db2.gz ZWTZHEOBDUONHM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001423166437 941377285 /nfs/dbraw/zinc/37/72/85/941377285.db2.gz MHQOPENZUATEEN-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC[C@]3(CCC[N@H+](C)C3)C2)CC1 ZINC001271801204 941454729 /nfs/dbraw/zinc/45/47/29/941454729.db2.gz DYOYMUDHYWCSEV-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC[C@]3(CCC[N@@H+](C)C3)C2)CC1 ZINC001271801204 941454730 /nfs/dbraw/zinc/45/47/30/941454730.db2.gz DYOYMUDHYWCSEV-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNC/C=C\Cl ZINC001482799134 941674631 /nfs/dbraw/zinc/67/46/31/941674631.db2.gz NKIJEILSTJFKCO-RYWCDNDXSA-N 1 3 303.834 0.682 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482835432 941684423 /nfs/dbraw/zinc/68/44/23/941684423.db2.gz UXBORQYBRQDCSW-BFHYXJOUSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482835432 941684425 /nfs/dbraw/zinc/68/44/25/941684425.db2.gz UXBORQYBRQDCSW-BFHYXJOUSA-N 1 3 307.442 0.745 20 0 DCADHO CCN1CC[C@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C)C1=O ZINC001482901276 941701829 /nfs/dbraw/zinc/70/18/29/941701829.db2.gz JPFPUOGCEGETDP-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC[NH2+]CCn1nc(C)nc1C)C(=O)[C@H]1CCCN1C ZINC001482914344 941709942 /nfs/dbraw/zinc/70/99/42/941709942.db2.gz MHYUTMDXDQXIGB-OAHLLOKOSA-N 1 3 322.457 0.427 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001483060299 941817048 /nfs/dbraw/zinc/81/70/48/941817048.db2.gz HWGKLRGFZQBLNL-LSMGEYOZSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001483060299 941817053 /nfs/dbraw/zinc/81/70/53/941817053.db2.gz HWGKLRGFZQBLNL-LSMGEYOZSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483137599 941903035 /nfs/dbraw/zinc/90/30/35/941903035.db2.gz RCVNOZLDPUXVRX-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001483137599 941903038 /nfs/dbraw/zinc/90/30/38/941903038.db2.gz RCVNOZLDPUXVRX-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483153922 941913506 /nfs/dbraw/zinc/91/35/06/941913506.db2.gz ONZORGORMHURGE-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483153922 941913512 /nfs/dbraw/zinc/91/35/12/941913512.db2.gz ONZORGORMHURGE-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409372872 941969280 /nfs/dbraw/zinc/96/92/80/941969280.db2.gz LCAOAJJMSTXGDE-KGLIPLIRSA-N 1 3 324.469 0.622 20 0 DCADHO COC[C@H](C)N1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607391 942136955 /nfs/dbraw/zinc/13/69/55/942136955.db2.gz WALQXCYWILCFHY-GLQYFDAESA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607391 942136959 /nfs/dbraw/zinc/13/69/59/942136959.db2.gz WALQXCYWILCFHY-GLQYFDAESA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607391 942136965 /nfs/dbraw/zinc/13/69/65/942136965.db2.gz WALQXCYWILCFHY-GLQYFDAESA-N 1 3 318.377 0.144 20 0 DCADHO COC[C@H](C)N1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607391 942136971 /nfs/dbraw/zinc/13/69/71/942136971.db2.gz WALQXCYWILCFHY-GLQYFDAESA-N 1 3 318.377 0.144 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001483296529 942248981 /nfs/dbraw/zinc/24/89/81/942248981.db2.gz JMSGWFTZRBWTBF-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CN(CCC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@@H]1CCCCN1C ZINC001483474261 942377027 /nfs/dbraw/zinc/37/70/27/942377027.db2.gz IGDYCOWPTPZZGB-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066773 942426643 /nfs/dbraw/zinc/42/66/43/942426643.db2.gz SEFOLFRMZZZUAS-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066773 942426648 /nfs/dbraw/zinc/42/66/48/942426648.db2.gz SEFOLFRMZZZUAS-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001127077702 942440140 /nfs/dbraw/zinc/44/01/40/942440140.db2.gz IDFJYKFPMNJSFG-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127077702 942440146 /nfs/dbraw/zinc/44/01/46/942440146.db2.gz IDFJYKFPMNJSFG-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001083669211 942450880 /nfs/dbraw/zinc/45/08/80/942450880.db2.gz YSIOKFZXHBRHST-IXDOHACOSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001083669211 942450884 /nfs/dbraw/zinc/45/08/84/942450884.db2.gz YSIOKFZXHBRHST-IXDOHACOSA-N 1 3 321.465 0.822 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001413068093 942462865 /nfs/dbraw/zinc/46/28/65/942462865.db2.gz RORNZNNOXIICQP-OLZOCXBDSA-N 1 3 321.425 0.318 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]CC(=O)NC)CCCCC1)N(C)C ZINC001409777192 942468925 /nfs/dbraw/zinc/46/89/25/942468925.db2.gz MLWKZIKMIOSLHZ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1CC ZINC001483623187 942559799 /nfs/dbraw/zinc/55/97/99/942559799.db2.gz VSVGACAYGOXTCH-TZMCWYRMSA-N 1 3 321.425 0.305 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1ccnc(Cl)c1 ZINC001272514161 942797390 /nfs/dbraw/zinc/79/73/90/942797390.db2.gz TUGUHKONWDNQER-GFCCVEGCSA-N 1 3 314.817 0.253 20 0 DCADHO CN(C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CCC1)C2 ZINC001272518316 942799971 /nfs/dbraw/zinc/79/99/71/942799971.db2.gz UGAFYHSTEAWLLA-KRWDZBQOSA-N 1 3 309.454 0.899 20 0 DCADHO CN(C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CCC1)C2 ZINC001272518316 942799973 /nfs/dbraw/zinc/79/99/73/942799973.db2.gz UGAFYHSTEAWLLA-KRWDZBQOSA-N 1 3 309.454 0.899 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001272524502 942802439 /nfs/dbraw/zinc/80/24/39/942802439.db2.gz SKYCPZZXCDYNHV-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484146932 943165030 /nfs/dbraw/zinc/16/50/30/943165030.db2.gz JHAGJEVHYKNAGR-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484146932 943165035 /nfs/dbraw/zinc/16/50/35/943165035.db2.gz JHAGJEVHYKNAGR-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001484544611 943447964 /nfs/dbraw/zinc/44/79/64/943447964.db2.gz XQGHHFYHODWOIH-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001413588704 943504808 /nfs/dbraw/zinc/50/48/08/943504808.db2.gz FFEQRRPRYDTXHU-NFOMZHRRSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN1CCC2(CC1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001485011975 943652976 /nfs/dbraw/zinc/65/29/76/943652976.db2.gz YJLVWSXNZFWIIP-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccnn1C ZINC001491486433 944035252 /nfs/dbraw/zinc/03/52/52/944035252.db2.gz IESJYJXKWBYPRU-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccnn1C ZINC001491486433 944035259 /nfs/dbraw/zinc/03/52/59/944035259.db2.gz IESJYJXKWBYPRU-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)[C@H](C)C(=O)NC)CC1 ZINC001485765918 944124250 /nfs/dbraw/zinc/12/42/50/944124250.db2.gz RERLBLQTFASILZ-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@H](C)C(=O)NC)CC1 ZINC001485765918 944124253 /nfs/dbraw/zinc/12/42/53/944124253.db2.gz RERLBLQTFASILZ-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3cnco3)C2)C1=O ZINC001272741729 944178145 /nfs/dbraw/zinc/17/81/45/944178145.db2.gz GGZNMCSELQLKMB-INIZCTEOSA-N 1 3 320.393 0.577 20 0 DCADHO COCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001281163400 944241870 /nfs/dbraw/zinc/24/18/70/944241870.db2.gz NXHGPKRPOZHICP-ZBFHGGJFSA-N 1 3 315.458 0.162 20 0 DCADHO COC(C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1)OC ZINC001276641931 944242809 /nfs/dbraw/zinc/24/28/09/944242809.db2.gz DLOKEWODPSGJDK-OKILXGFUSA-N 1 3 313.442 0.337 20 0 DCADHO COC(C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1)OC ZINC001276641931 944242821 /nfs/dbraw/zinc/24/28/21/944242821.db2.gz DLOKEWODPSGJDK-OKILXGFUSA-N 1 3 313.442 0.337 20 0 DCADHO O=C(N[C@@H]1CN(CCCC2CCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012054 944320053 /nfs/dbraw/zinc/32/00/53/944320053.db2.gz SRJSNPYPCPPBJA-HZPDHXFCSA-N 1 3 321.465 0.824 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001485920750 944402547 /nfs/dbraw/zinc/40/25/47/944402547.db2.gz WICAFFVZDAKTLY-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC1CC1 ZINC001485945297 944426643 /nfs/dbraw/zinc/42/66/43/944426643.db2.gz VKJQIJQCAKUGQC-CYBMUJFWSA-N 1 3 322.453 0.045 20 0 DCADHO COC[C@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001485996680 944471974 /nfs/dbraw/zinc/47/19/74/944471974.db2.gz IIYYXVDKUKAKFU-KBPBESRZSA-N 1 3 315.458 0.353 20 0 DCADHO COCCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001486132158 944588189 /nfs/dbraw/zinc/58/81/89/944588189.db2.gz ZWPZSLLYUZHMOA-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO COCCCCN1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276919508 944594574 /nfs/dbraw/zinc/59/45/74/944594574.db2.gz CSSHSNBFARIPDQ-HNNXBMFYSA-N 1 3 309.454 0.945 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C[C@H]1C ZINC001486127086 944606609 /nfs/dbraw/zinc/60/66/09/944606609.db2.gz FBAJMJPNIKLZKT-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001277046352 944639041 /nfs/dbraw/zinc/63/90/41/944639041.db2.gz OWTIFEWULZRXGF-QKPAOTATSA-N 1 3 311.470 0.974 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001277045943 944639679 /nfs/dbraw/zinc/63/96/79/944639679.db2.gz ANUCMENJMLKPJE-XJKCOSOUSA-N 1 3 315.433 0.676 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355615 944781802 /nfs/dbraw/zinc/78/18/02/944781802.db2.gz KYIMDHCIUYOUAG-OLZOCXBDSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277355615 944781807 /nfs/dbraw/zinc/78/18/07/944781807.db2.gz KYIMDHCIUYOUAG-OLZOCXBDSA-N 1 3 308.430 0.141 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001317119809 944806744 /nfs/dbraw/zinc/80/67/44/944806744.db2.gz HUHHBSVIJSWOPR-MJBXVCDLSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001317119920 944807192 /nfs/dbraw/zinc/80/71/92/944807192.db2.gz LJJOFAGTPPTSIH-RWMBFGLXSA-N 1 3 319.396 0.847 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)n[nH]1 ZINC001486411931 944863084 /nfs/dbraw/zinc/86/30/84/944863084.db2.gz VOGDIFJXKLBQHW-GFCCVEGCSA-N 1 3 310.446 0.685 20 0 DCADHO COC(=O)C1C[C@@H]2CC([NH2+][C@@H](C)[C@@H]3CNCCO3)C[C@H](C1)N2 ZINC001246288296 945377706 /nfs/dbraw/zinc/37/77/06/945377706.db2.gz ANRQSLKNRAVFJN-QIAAQONQSA-N 1 3 311.426 0.025 20 0 DCADHO O=C1CNCCN1CC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246354439 945393044 /nfs/dbraw/zinc/39/30/44/945393044.db2.gz FGMLYCQAIGMSMW-JKSUJKDBSA-N 1 3 302.422 0.501 20 0 DCADHO O=C1CNCCN1CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246354439 945393051 /nfs/dbraw/zinc/39/30/51/945393051.db2.gz FGMLYCQAIGMSMW-JKSUJKDBSA-N 1 3 302.422 0.501 20 0 DCADHO Cc1cccnc1N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246528372 945426417 /nfs/dbraw/zinc/42/64/17/945426417.db2.gz WXBJNUGKLLXVHW-HNNXBMFYSA-N 1 3 301.438 0.606 20 0 DCADHO O=C(c1nn([C@H]2CCC[NH2+]C2)c2c1CNCC2)N1CC=CC1 ZINC001246704622 945464434 /nfs/dbraw/zinc/46/44/34/945464434.db2.gz IABFLEBGSLLVOB-LBPRGKRZSA-N 1 3 301.394 0.465 20 0 DCADHO C[C@@H]1C[C@H](N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)CC[NH2+]1 ZINC001246708406 945468348 /nfs/dbraw/zinc/46/83/48/945468348.db2.gz JSHVONUXQOZOOG-LVQVYYBASA-N 1 3 317.437 0.754 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]21)N1CCCC1 ZINC001246712514 945470880 /nfs/dbraw/zinc/47/08/80/945470880.db2.gz VXFVMJPMUQAKJF-VQHPVUNQSA-N 1 3 321.465 0.945 20 0 DCADHO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@@H+]([C@H]3CCN[C@H](C)C3)C[C@H]21 ZINC001246733035 945475971 /nfs/dbraw/zinc/47/59/71/945475971.db2.gz DGOLDTYXFQNLNF-LJIZCISZSA-N 1 3 309.454 0.846 20 0 DCADHO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+]([C@H]3CCN[C@H](C)C3)C[C@H]21 ZINC001246733035 945475976 /nfs/dbraw/zinc/47/59/76/945475976.db2.gz DGOLDTYXFQNLNF-LJIZCISZSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@@H]1CC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C[NH2+]1 ZINC001246760498 945483855 /nfs/dbraw/zinc/48/38/55/945483855.db2.gz QRHNRMKLZQKWHK-DGCLKSJQSA-N 1 3 317.437 0.982 20 0 DCADHO Cc1cc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc(C)n1 ZINC001246788012 945492518 /nfs/dbraw/zinc/49/25/18/945492518.db2.gz GVKGLAOWTUTMFR-OAHLLOKOSA-N 1 3 316.453 0.309 20 0 DCADHO COC(=O)c1cccc2c1CN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246812223 945495625 /nfs/dbraw/zinc/49/56/25/945495625.db2.gz SPRCZRJVKMPUEM-CYBMUJFWSA-N 1 3 301.390 0.883 20 0 DCADHO CC[C@@]1(C(=O)OC)C[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246886363 945512657 /nfs/dbraw/zinc/51/26/57/945512657.db2.gz KEHPARUQYUPTCZ-WBVHZDCISA-N 1 3 324.469 0.040 20 0 DCADHO COc1nccc(C)c1-c1noc([C@@H]2CNCC23C[NH2+]C3)n1 ZINC001247839030 945575729 /nfs/dbraw/zinc/57/57/29/945575729.db2.gz ZJPHNRYWKXPVLV-JTQLQIEISA-N 1 3 301.350 0.725 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C)N(C)C ZINC001320615238 945950928 /nfs/dbraw/zinc/95/09/28/945950928.db2.gz QRDGTBJDRKBMHE-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001320831347 946035834 /nfs/dbraw/zinc/03/58/34/946035834.db2.gz XMXUOGUNLGRFBR-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCc1ccnn1C ZINC001320997141 946107260 /nfs/dbraw/zinc/10/72/60/946107260.db2.gz HPQMSUVZYDSUQZ-BWPKMQGJSA-N 1 3 305.426 0.319 20 0 DCADHO OCC[NH+](CCO)CCCNC[C@@H](O)c1ccc(F)c(F)c1 ZINC001253372598 946111548 /nfs/dbraw/zinc/11/15/48/946111548.db2.gz ZHDDBOGQVNMJJP-OAHLLOKOSA-N 1 3 318.364 0.265 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001410314638 946174413 /nfs/dbraw/zinc/17/44/13/946174413.db2.gz PYABFZBTQIZUEL-ZIAGYGMSSA-N 1 3 322.453 0.043 20 0 DCADHO Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CCCN(C)CC2)cc1 ZINC001253842935 946196436 /nfs/dbraw/zinc/19/64/36/946196436.db2.gz KHCFYZFMVMULIV-KRWDZBQOSA-N 1 3 321.465 0.962 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001321253233 946239769 /nfs/dbraw/zinc/23/97/69/946239769.db2.gz UAONIUAMXUSINZ-IHDARNGBSA-N 1 3 320.441 0.368 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001410447249 946389779 /nfs/dbraw/zinc/38/97/79/946389779.db2.gz HGUMPRRWFSWJLU-NSHDSACASA-N 1 3 319.413 0.297 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001410451720 946396150 /nfs/dbraw/zinc/39/61/50/946396150.db2.gz NWWKSLDGTSKAKB-YPMHNXCESA-N 1 3 317.397 0.168 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)n1 ZINC001321653241 946414460 /nfs/dbraw/zinc/41/44/60/946414460.db2.gz YNMWGVMNURWZPK-CHWSQXEVSA-N 1 3 323.441 0.747 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CCc1ccns1)C(=O)Cc1c[nH]cn1 ZINC001278811182 946432996 /nfs/dbraw/zinc/43/29/96/946432996.db2.gz QSIGNOJHBVYDLS-LBPRGKRZSA-N 1 3 323.422 0.060 20 0 DCADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001321755826 946448068 /nfs/dbraw/zinc/44/80/68/946448068.db2.gz GOZOREJONKPXMQ-CYBMUJFWSA-N 1 3 319.471 0.001 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001410476920 946469140 /nfs/dbraw/zinc/46/91/40/946469140.db2.gz ACTZTKJFPMDPHF-OCCSQVGLSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001322087265 946569856 /nfs/dbraw/zinc/56/98/56/946569856.db2.gz GOZOREJONKPXMQ-ZDUSSCGKSA-N 1 3 319.471 0.001 20 0 DCADHO OCCN1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256682213 946653579 /nfs/dbraw/zinc/65/35/79/946653579.db2.gz GRJZUPAIVPRDPU-UHFFFAOYSA-N 1 3 311.470 0.676 20 0 DCADHO CCOC(=O)CN(CC[NH3+])C1CCC(N2CCOCC2)CC1 ZINC001256685289 946653624 /nfs/dbraw/zinc/65/36/24/946653624.db2.gz BERNYEKQHWXWTI-UHFFFAOYSA-N 1 3 313.442 0.454 20 0 DCADHO NC(=O)c1cncc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256688104 946655641 /nfs/dbraw/zinc/65/56/41/946655641.db2.gz QBZQCAXJIRDPCM-UHFFFAOYSA-N 1 3 318.421 0.914 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001256768758 946660627 /nfs/dbraw/zinc/66/06/27/946660627.db2.gz TZYOJGVJTSXPGG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001410764671 946907502 /nfs/dbraw/zinc/90/75/02/946907502.db2.gz MGNLAYBXZLZGEN-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001410764671 946907509 /nfs/dbraw/zinc/90/75/09/946907509.db2.gz MGNLAYBXZLZGEN-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001410818884 946988626 /nfs/dbraw/zinc/98/86/26/946988626.db2.gz VGBZAWDGWORHLH-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)C[C@H]1C ZINC001410886358 947085964 /nfs/dbraw/zinc/08/59/64/947085964.db2.gz QGWSBWQLAQMNNB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001410904639 947111752 /nfs/dbraw/zinc/11/17/52/947111752.db2.gz NFIFJXXHNFYHNQ-BPLDGKMQSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001410904639 947111756 /nfs/dbraw/zinc/11/17/56/947111756.db2.gz NFIFJXXHNFYHNQ-BPLDGKMQSA-N 1 3 324.469 0.336 20 0 DCADHO Cn1ccnc1CNC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001410938850 947151446 /nfs/dbraw/zinc/15/14/46/947151446.db2.gz IGPBUNWCTHNGJH-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC001261634914 947380030 /nfs/dbraw/zinc/38/00/30/947380030.db2.gz QPMDQOHVONCOMD-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CNCC(=O)N(C)C)C(C)(C)C ZINC001411211618 947492062 /nfs/dbraw/zinc/49/20/62/947492062.db2.gz CBOLJBIHBABWAJ-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CNCC(=O)N(C)C)C(C)(C)C ZINC001411211618 947492070 /nfs/dbraw/zinc/49/20/70/947492070.db2.gz CBOLJBIHBABWAJ-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C(C)(C)C ZINC001411220880 947507625 /nfs/dbraw/zinc/50/76/25/947507625.db2.gz VRRNKTCIVGMZOZ-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)C ZINC001324938022 947579347 /nfs/dbraw/zinc/57/93/47/947579347.db2.gz OVVPBJVJEGYBAV-UHFFFAOYSA-N 1 3 314.474 0.443 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCCN2CCCC2=O)C1 ZINC001494849264 947707606 /nfs/dbraw/zinc/70/76/06/947707606.db2.gz XRLVATBBWUXZLT-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001325313130 947752171 /nfs/dbraw/zinc/75/21/71/947752171.db2.gz LSJXBTNFWARUCN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC001325356291 947766909 /nfs/dbraw/zinc/76/69/09/947766909.db2.gz OCFKGYYNTPSMDI-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001325388312 947776325 /nfs/dbraw/zinc/77/63/25/947776325.db2.gz ZOIUZRPWWBDTFO-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534907 947856076 /nfs/dbraw/zinc/85/60/76/947856076.db2.gz XQQRXWOWJRKTFJ-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+](C)CCN1C(=O)COCC12CN(C[C@@H]1CC=CCC1)C2 ZINC001273515135 947937082 /nfs/dbraw/zinc/93/70/82/947937082.db2.gz KJABTRCRQNZNIQ-OAHLLOKOSA-N 1 3 307.438 0.818 20 0 DCADHO Cc1cc(N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)cc[nH+]1 ZINC001273582605 947968479 /nfs/dbraw/zinc/96/84/79/947968479.db2.gz CTTKMCJSKMQGFU-KRWDZBQOSA-N 1 3 318.421 0.759 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001488580345 948957654 /nfs/dbraw/zinc/95/76/54/948957654.db2.gz KXXZJDRLHPEKER-WLYUNCDWSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001488580345 948957660 /nfs/dbraw/zinc/95/76/60/948957660.db2.gz KXXZJDRLHPEKER-WLYUNCDWSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(N)=O)N(CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265120871 949332017 /nfs/dbraw/zinc/33/20/17/949332017.db2.gz BUAYJMQPRGMFPX-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)N(C)C ZINC001265455971 949704356 /nfs/dbraw/zinc/70/43/56/949704356.db2.gz AODPKLCGMZWJIP-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001265508772 949733442 /nfs/dbraw/zinc/73/34/42/949733442.db2.gz LFINBKKFTVSLIN-AVGNSLFASA-N 1 3 319.396 0.988 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)[C@@H](C)C1 ZINC001329675886 949773522 /nfs/dbraw/zinc/77/35/22/949773522.db2.gz LUKYGAKICMBKOO-ZFWWWQNUSA-N 1 3 324.469 0.195 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)[C@@H](C)C1 ZINC001329675886 949773541 /nfs/dbraw/zinc/77/35/41/949773541.db2.gz LUKYGAKICMBKOO-ZFWWWQNUSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC001364698053 949775248 /nfs/dbraw/zinc/77/52/48/949775248.db2.gz LLMWNEFZFKADIL-QLFBSQMISA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@H](O)C1 ZINC001364698053 949775263 /nfs/dbraw/zinc/77/52/63/949775263.db2.gz LLMWNEFZFKADIL-QLFBSQMISA-N 1 3 314.474 0.671 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(CCCC[NH3+])nn1 ZINC001330641741 950566866 /nfs/dbraw/zinc/56/68/66/950566866.db2.gz ZBBLBFKRSDZAJG-UONOGXRCSA-N 1 3 306.414 0.326 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001365306477 950926348 /nfs/dbraw/zinc/92/63/48/950926348.db2.gz OEOFMXIOFJARAF-IXDOHACOSA-N 1 3 319.449 0.888 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001365306477 950926364 /nfs/dbraw/zinc/92/63/64/950926364.db2.gz OEOFMXIOFJARAF-IXDOHACOSA-N 1 3 319.449 0.888 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC001331169447 950985309 /nfs/dbraw/zinc/98/53/09/950985309.db2.gz VWMPSMJTQVRXNY-MCIONIFRSA-N 1 3 310.442 0.077 20 0 DCADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC001331187037 951003479 /nfs/dbraw/zinc/00/34/79/951003479.db2.gz VZTWRILDMOKCSG-QLFBSQMISA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001490718439 951033874 /nfs/dbraw/zinc/03/38/74/951033874.db2.gz UHSUNFQHPDZUEN-ZIAGYGMSSA-N 1 3 310.442 0.219 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001490742761 951070910 /nfs/dbraw/zinc/07/09/10/951070910.db2.gz TZJLEYZLUYEUSA-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001274046799 951364123 /nfs/dbraw/zinc/36/41/23/951364123.db2.gz HZKCMYSFLWNIGN-RDTXWAMCSA-N 1 3 317.433 0.919 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001274046799 951364133 /nfs/dbraw/zinc/36/41/33/951364133.db2.gz HZKCMYSFLWNIGN-RDTXWAMCSA-N 1 3 317.433 0.919 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001365850407 951613822 /nfs/dbraw/zinc/61/38/22/951613822.db2.gz XXNPCOUNUWYWBV-AJNGGQMLSA-N 1 3 324.469 0.336 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001332436966 951645408 /nfs/dbraw/zinc/64/54/08/951645408.db2.gz IWITXIAOQHFQKC-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]C/C=C\Cl)CC1 ZINC001274581562 951714986 /nfs/dbraw/zinc/71/49/86/951714986.db2.gz WCMBKOXPLPIUJO-UTCJRWHESA-N 1 3 315.845 0.778 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001292857045 951841214 /nfs/dbraw/zinc/84/12/14/951841214.db2.gz IIKNKJMQDBTYFQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC2CC(C[NH2+]CCO)C2)c1 ZINC001275332094 952064460 /nfs/dbraw/zinc/06/44/60/952064460.db2.gz SYJZHOFBARBDLP-UHFFFAOYSA-N 1 3 305.422 0.839 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC=CC1 ZINC001336228901 952664005 /nfs/dbraw/zinc/66/40/05/952664005.db2.gz KBTRHFYGYMPJQN-UHFFFAOYSA-N 1 3 324.469 0.411 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001336726928 952757909 /nfs/dbraw/zinc/75/79/09/952757909.db2.gz GTLGWIVATSKTCG-SJORKVTESA-N 1 3 313.486 0.516 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)C2(O)CCC2)C[C@@H](C)O1 ZINC001336764213 952761332 /nfs/dbraw/zinc/76/13/32/952761332.db2.gz WYNAKQPNPSIXGT-RBSFLKMASA-N 1 3 300.443 0.741 20 0 DCADHO C[C@H](O)C[NH2+]CCCOC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001276170917 952965638 /nfs/dbraw/zinc/96/56/38/952965638.db2.gz SYIOAFHEGLWDPY-ZDUSSCGKSA-N 1 3 324.425 0.320 20 0 DCADHO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276207028 953000169 /nfs/dbraw/zinc/00/01/69/953000169.db2.gz PTRZGQMYXWEGON-GASCZTMLSA-N 1 3 319.453 0.950 20 0 DCADHO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276207028 953000172 /nfs/dbraw/zinc/00/01/72/953000172.db2.gz PTRZGQMYXWEGON-GASCZTMLSA-N 1 3 319.453 0.950 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001339064827 953070675 /nfs/dbraw/zinc/07/06/75/953070675.db2.gz YFMRNNAMWZQYTI-OAHLLOKOSA-N 1 3 324.469 0.659 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001490860067 953128189 /nfs/dbraw/zinc/12/81/89/953128189.db2.gz AJDFEIPSGFOFAL-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001341553838 953237390 /nfs/dbraw/zinc/23/73/90/953237390.db2.gz CFPMZLVQWVBQRV-MGPQQGTHSA-N 1 3 313.442 0.751 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001343543793 953353145 /nfs/dbraw/zinc/35/31/45/953353145.db2.gz UFNASUOKGVLICL-UHFFFAOYSA-N 1 3 309.410 0.130 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001416675149 953467978 /nfs/dbraw/zinc/46/79/78/953467978.db2.gz GSHNCQRSEPDIJB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001416675149 953467985 /nfs/dbraw/zinc/46/79/85/953467985.db2.gz GSHNCQRSEPDIJB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001345469370 953668288 /nfs/dbraw/zinc/66/82/88/953668288.db2.gz FUSFMGDQDACMLD-OAHLLOKOSA-N 1 3 318.421 0.314 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N[C@@H](C)C2CC2)C1 ZINC001366099082 953683440 /nfs/dbraw/zinc/68/34/40/953683440.db2.gz QZSKRUDGOHJGPK-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N[C@@H](C)C2CC2)C1 ZINC001366099082 953683446 /nfs/dbraw/zinc/68/34/46/953683446.db2.gz QZSKRUDGOHJGPK-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001366133186 953725346 /nfs/dbraw/zinc/72/53/46/953725346.db2.gz XERFSYQXQVKAHG-NMFUWQPSSA-N 1 3 324.469 0.477 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC1CCCCC1 ZINC001366325538 954024938 /nfs/dbraw/zinc/02/49/38/954024938.db2.gz SATUSYDATYYQEJ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366386381 954135766 /nfs/dbraw/zinc/13/57/66/954135766.db2.gz SZXMSLWVRKAJDL-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366396284 954149267 /nfs/dbraw/zinc/14/92/67/954149267.db2.gz BHAUNEBQFQZNIS-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001366481511 954259687 /nfs/dbraw/zinc/25/96/87/954259687.db2.gz YLZHVFKWDKAOIX-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cnn(C)c1)N(C)C ZINC001366514084 954304810 /nfs/dbraw/zinc/30/48/10/954304810.db2.gz WXIICZQKSKQDTO-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCOCC(F)F)CCN1C(=O)CN1CCCC1 ZINC001283937808 954729738 /nfs/dbraw/zinc/72/97/38/954729738.db2.gz DWTSPRODFLWLEO-QWHCGFSZSA-N 1 3 319.396 0.943 20 0 DCADHO CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284028871 954792309 /nfs/dbraw/zinc/79/23/09/954792309.db2.gz BZBWYLPAKDGQJX-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC001349971002 954949683 /nfs/dbraw/zinc/94/96/83/954949683.db2.gz UXOMGGZLJUGOOZ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CCCO)C2)CC1 ZINC001366883128 954991868 /nfs/dbraw/zinc/99/18/68/954991868.db2.gz NUSKZHNTVXZNAO-INIZCTEOSA-N 1 3 311.470 0.881 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CCCO)C2)CC1 ZINC001366883128 954991881 /nfs/dbraw/zinc/99/18/81/954991881.db2.gz NUSKZHNTVXZNAO-INIZCTEOSA-N 1 3 311.470 0.881 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCCF ZINC001284428618 955085131 /nfs/dbraw/zinc/08/51/31/955085131.db2.gz HFFGPZYVYUEKEZ-ZIAGYGMSSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCCF ZINC001284428618 955085145 /nfs/dbraw/zinc/08/51/45/955085145.db2.gz HFFGPZYVYUEKEZ-ZIAGYGMSSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CCn1cncn1)C(C)(C)C ZINC001284654264 955216473 /nfs/dbraw/zinc/21/64/73/955216473.db2.gz XNJHUZXXGDBXJX-CQSZACIVSA-N 1 3 324.473 0.739 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CC(N)=O)CCCC1)CC(C)(C)C ZINC001367324885 955643882 /nfs/dbraw/zinc/64/38/82/955643882.db2.gz VEJTYLDINOTEAF-UHFFFAOYSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1)N(C)C ZINC001367325889 955649565 /nfs/dbraw/zinc/64/95/65/955649565.db2.gz ZTGRBJDVKWHHHW-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001285585134 955813222 /nfs/dbraw/zinc/81/32/22/955813222.db2.gz KVQUCYLPBXDFTF-XHPSBEMXSA-N 1 3 324.469 0.457 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001292857224 957175334 /nfs/dbraw/zinc/17/53/34/957175334.db2.gz OXDFFYHOSNUGNR-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001292857224 957175341 /nfs/dbraw/zinc/17/53/41/957175341.db2.gz OXDFFYHOSNUGNR-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001293334556 957353135 /nfs/dbraw/zinc/35/31/35/957353135.db2.gz WOALEXGCIRHQKZ-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001293334556 957353145 /nfs/dbraw/zinc/35/31/45/957353145.db2.gz WOALEXGCIRHQKZ-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001293419488 957367424 /nfs/dbraw/zinc/36/74/24/957367424.db2.gz ZVJCPOYQXRLIJH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001293419488 957367435 /nfs/dbraw/zinc/36/74/35/957367435.db2.gz ZVJCPOYQXRLIJH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001367358916 957714432 /nfs/dbraw/zinc/71/44/32/957714432.db2.gz QLORWDLJBUNVQE-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001367358916 957714438 /nfs/dbraw/zinc/71/44/38/957714438.db2.gz QLORWDLJBUNVQE-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001367396888 957766810 /nfs/dbraw/zinc/76/68/10/957766810.db2.gz MGQPKZQSMPREEV-ZDUSSCGKSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001367514079 957943227 /nfs/dbraw/zinc/94/32/27/957943227.db2.gz ZDNZIHJQYLGXHZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001367514079 957943239 /nfs/dbraw/zinc/94/32/39/957943239.db2.gz ZDNZIHJQYLGXHZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001297106074 958137369 /nfs/dbraw/zinc/13/73/69/958137369.db2.gz AUUQICLLQORYGJ-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001367640214 958245582 /nfs/dbraw/zinc/24/55/82/958245582.db2.gz BRBOWTMYGAFDCE-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CCC(=O)NC2)ncn1 ZINC001367673854 958330095 /nfs/dbraw/zinc/33/00/95/958330095.db2.gz JCXXDZLFHCISAF-OLZOCXBDSA-N 1 3 319.409 0.296 20 0 DCADHO C[C@H](C[NH2+]Cc1cncs1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001367673783 958331924 /nfs/dbraw/zinc/33/19/24/958331924.db2.gz IGDDUEFOLKXMMW-SNVBAGLBSA-N 1 3 320.422 0.907 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001367737918 958475435 /nfs/dbraw/zinc/47/54/35/958475435.db2.gz NIGNVVCTHZZALB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001367737918 958475444 /nfs/dbraw/zinc/47/54/44/958475444.db2.gz NIGNVVCTHZZALB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC1CCN(CC(=O)NC/C=C/CNC(=O)CC[NH+](C)C)CC1 ZINC001298513275 958634440 /nfs/dbraw/zinc/63/44/40/958634440.db2.gz ROWMTRVFSUWATR-SNAWJCMRSA-N 1 3 324.469 0.459 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)n[nH]1 ZINC001367899986 958811127 /nfs/dbraw/zinc/81/11/27/958811127.db2.gz BBDFHPVCMWUVPY-CYBMUJFWSA-N 1 3 320.441 0.439 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001491643006 958998661 /nfs/dbraw/zinc/99/86/61/958998661.db2.gz WTGOSMWLWQLMAV-UONOGXRCSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001491643061 958999865 /nfs/dbraw/zinc/99/98/65/958999865.db2.gz WYRYPJITAHBAJI-QWHCGFSZSA-N 1 3 322.453 0.091 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001376919501 959136157 /nfs/dbraw/zinc/13/61/57/959136157.db2.gz UUYDMLZEYLOCNQ-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001376949111 959187926 /nfs/dbraw/zinc/18/79/26/959187926.db2.gz HYAFWYOMBYBXPP-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001376956768 959204305 /nfs/dbraw/zinc/20/43/05/959204305.db2.gz NDFFZXGRVWHOOL-CQSZACIVSA-N 1 3 322.457 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001376968964 959224801 /nfs/dbraw/zinc/22/48/01/959224801.db2.gz LIKQJHSFMDKTGV-HNNXBMFYSA-N 1 3 320.437 0.416 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001368103813 959243131 /nfs/dbraw/zinc/24/31/31/959243131.db2.gz BTNHZLMBPVNMSK-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491754477 959255905 /nfs/dbraw/zinc/25/59/05/959255905.db2.gz LQSXBQYLRKXPSA-AWEZNQCLSA-N 1 3 322.453 0.047 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001491829675 959279124 /nfs/dbraw/zinc/27/91/24/959279124.db2.gz PNDVWQSWEUSQBL-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCN2C)ncn1 ZINC001377010340 959306288 /nfs/dbraw/zinc/30/62/88/959306288.db2.gz HAOUDPQLURAZFW-WFASDCNBSA-N 1 3 305.426 0.864 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001491812557 959326585 /nfs/dbraw/zinc/32/65/85/959326585.db2.gz OLOIUVGFUFBQCQ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCn1nncc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001491991880 959481855 /nfs/dbraw/zinc/48/18/55/959481855.db2.gz DAWARALGAXMCSM-OCCSQVGLSA-N 1 3 308.430 0.377 20 0 DCADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001377117288 959495175 /nfs/dbraw/zinc/49/51/75/959495175.db2.gz XXFPRAXVAMZNMT-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001492034582 959570705 /nfs/dbraw/zinc/57/07/05/959570705.db2.gz KNMBVTRYRGWWGY-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001368409314 959822254 /nfs/dbraw/zinc/82/22/54/959822254.db2.gz AKNIDSWOBVWFST-IHRRRGAJSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001368500422 959944787 /nfs/dbraw/zinc/94/47/87/959944787.db2.gz LHBHZQREWIAPIO-FQUUOJAGSA-N 1 3 310.442 0.077 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001368533420 959991333 /nfs/dbraw/zinc/99/13/33/959991333.db2.gz FJHWDIDJIJLYLO-XQLPTFJDSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001368534272 959991721 /nfs/dbraw/zinc/99/17/21/959991721.db2.gz JBYIWASVGVVDCY-OKILXGFUSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001368564898 960035307 /nfs/dbraw/zinc/03/53/07/960035307.db2.gz ANSYBMPHQYOMHK-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001368571205 960043501 /nfs/dbraw/zinc/04/35/01/960043501.db2.gz HNXXMFXZZWJUQZ-HDJSIYSDSA-N 1 3 324.469 0.480 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CCO ZINC001316691706 960046588 /nfs/dbraw/zinc/04/65/88/960046588.db2.gz MXQNQUHOHPWERP-RBSFLKMASA-N 1 3 315.458 0.018 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001368640380 960112478 /nfs/dbraw/zinc/11/24/78/960112478.db2.gz HADOYTQVCRJAIT-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC1CC1 ZINC001368641919 960112737 /nfs/dbraw/zinc/11/27/37/960112737.db2.gz CDBUJUBJMFWCKP-BPLDGKMQSA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001368660106 960132172 /nfs/dbraw/zinc/13/21/72/960132172.db2.gz WPCDNHRHKWMIOD-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCn2cncn2)C1 ZINC001368668034 960141153 /nfs/dbraw/zinc/14/11/53/960141153.db2.gz PRPFXOAETGFOMV-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC)N(C)C ZINC001368670382 960143890 /nfs/dbraw/zinc/14/38/90/960143890.db2.gz VYFIYPXRJQQVGN-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001368776016 960254434 /nfs/dbraw/zinc/25/44/34/960254434.db2.gz KPGPCGWLKDGHEX-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001368776016 960254443 /nfs/dbraw/zinc/25/44/43/960254443.db2.gz KPGPCGWLKDGHEX-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001377580594 960313259 /nfs/dbraw/zinc/31/32/59/960313259.db2.gz MNLFSRGYAAZSAU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001377580594 960313271 /nfs/dbraw/zinc/31/32/71/960313271.db2.gz MNLFSRGYAAZSAU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001377593719 960335539 /nfs/dbraw/zinc/33/55/39/960335539.db2.gz YXKKUVFSPPVNLU-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001377609334 960350922 /nfs/dbraw/zinc/35/09/22/960350922.db2.gz NEWZARWFHNOULU-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC001377607293 960352150 /nfs/dbraw/zinc/35/21/50/960352150.db2.gz HQAAGVQZFMOTCE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC001377607293 960352159 /nfs/dbraw/zinc/35/21/59/960352159.db2.gz HQAAGVQZFMOTCE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001377714115 960486657 /nfs/dbraw/zinc/48/66/57/960486657.db2.gz JOYXEDUYFGOQCE-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001377733867 960529001 /nfs/dbraw/zinc/52/90/01/960529001.db2.gz ROHAIWXBKXMWIH-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001377733867 960529010 /nfs/dbraw/zinc/52/90/10/960529010.db2.gz ROHAIWXBKXMWIH-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1 ZINC001377734584 960530602 /nfs/dbraw/zinc/53/06/02/960530602.db2.gz SENUVIROXWYMIW-UHFFFAOYSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001377737180 960532735 /nfs/dbraw/zinc/53/27/35/960532735.db2.gz UJTSYRWQMWTEKD-BCLQGDPASA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N[C@@H](C)C(N)=O ZINC001378309750 960552581 /nfs/dbraw/zinc/55/25/81/960552581.db2.gz FWXXRKTXTZLKPJ-JSGCOSHPSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCN(CC)C1=O ZINC001378331255 960600078 /nfs/dbraw/zinc/60/00/78/960600078.db2.gz BHUYQJXFTUWJHB-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001378396130 960695830 /nfs/dbraw/zinc/69/58/30/960695830.db2.gz YDAFNSJULYSVNM-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001378396130 960695847 /nfs/dbraw/zinc/69/58/47/960695847.db2.gz YDAFNSJULYSVNM-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](NCC(=O)NC1CCCC1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001377852014 960813421 /nfs/dbraw/zinc/81/34/21/960813421.db2.gz SCRHXIFDQSSPHR-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001377877096 960881307 /nfs/dbraw/zinc/88/13/07/960881307.db2.gz FFNDKPVUDKBYAV-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3CCC[NH2+]CC3)C2)nn1 ZINC001549047274 1013247846 /nfs/dbraw/zinc/24/78/46/1013247846.db2.gz NCPSWIVXUSJOML-DZGCQCFKSA-N 1 3 320.441 0.680 20 0 DCADHO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N1CCCCCC1 ZINC001378735019 961363751 /nfs/dbraw/zinc/36/37/51/961363751.db2.gz QURDEQDPBXIVGV-YHUYYLMFSA-N 1 3 309.454 0.537 20 0 DCADHO C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N1CCCCCC1 ZINC001378735019 961363774 /nfs/dbraw/zinc/36/37/74/961363774.db2.gz QURDEQDPBXIVGV-YHUYYLMFSA-N 1 3 309.454 0.537 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)CCn1cncn1 ZINC001378075590 961385260 /nfs/dbraw/zinc/38/52/60/961385260.db2.gz BDHSHFVMGLUYRR-CQSZACIVSA-N 1 3 320.441 0.343 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC[C@H](C)O)C[C@H]21 ZINC001378764392 961431964 /nfs/dbraw/zinc/43/19/64/961431964.db2.gz ZVFFGMCXEURZJH-YHUYYLMFSA-N 1 3 311.470 0.782 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC[C@H](C)O)C[C@H]21 ZINC001378764392 961431971 /nfs/dbraw/zinc/43/19/71/961431971.db2.gz ZVFFGMCXEURZJH-YHUYYLMFSA-N 1 3 311.470 0.782 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378773246 961449854 /nfs/dbraw/zinc/44/98/54/961449854.db2.gz HGQQVIMIZHIQKP-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@H](O)CN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001378111286 961452878 /nfs/dbraw/zinc/45/28/78/961452878.db2.gz HWQQTVUVRPNPNN-QLFBSQMISA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@H](O)CN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001378111286 961452892 /nfs/dbraw/zinc/45/28/92/961452892.db2.gz HWQQTVUVRPNPNN-QLFBSQMISA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378781635 961465456 /nfs/dbraw/zinc/46/54/56/961465456.db2.gz CFPACJBQMYAUAV-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001378817874 961538430 /nfs/dbraw/zinc/53/84/30/961538430.db2.gz NDJFMBXEYMJHOS-LBPRGKRZSA-N 1 3 306.410 0.284 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001378858355 961614088 /nfs/dbraw/zinc/61/40/88/961614088.db2.gz OKVZSDRXNOFTON-CHWSQXEVSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1)[NH+](C)C ZINC001378864957 961628958 /nfs/dbraw/zinc/62/89/58/961628958.db2.gz GENRKOLKMREMAG-FVQBIDKESA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001378870224 961636972 /nfs/dbraw/zinc/63/69/72/961636972.db2.gz UHBWLUMNUBVLEB-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001378892413 961668800 /nfs/dbraw/zinc/66/88/00/961668800.db2.gz QPCJTSBYCBPHQE-ZQDZILKHSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001378892412 961669483 /nfs/dbraw/zinc/66/94/83/961669483.db2.gz QPCJTSBYCBPHQE-TUVASFSCSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nncn1C ZINC001378899375 961676182 /nfs/dbraw/zinc/67/61/82/961676182.db2.gz BUHXYSVXLNWWTD-STQMWFEESA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H](C(N)=O)N(C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001378914667 961701248 /nfs/dbraw/zinc/70/12/48/961701248.db2.gz FHTNLBPKRNALIC-HIFRSBDPSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](C(N)=O)N(C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001378914667 961701260 /nfs/dbraw/zinc/70/12/60/961701260.db2.gz FHTNLBPKRNALIC-HIFRSBDPSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001379025955 961911220 /nfs/dbraw/zinc/91/12/20/961911220.db2.gz ALHFLTNISUPXPQ-CJNGLKHVSA-N 1 3 317.449 0.922 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001379869896 962184195 /nfs/dbraw/zinc/18/41/95/962184195.db2.gz HOYTWJAROVMCMW-AWEZNQCLSA-N 1 3 324.469 0.609 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001379869896 962184208 /nfs/dbraw/zinc/18/42/08/962184208.db2.gz HOYTWJAROVMCMW-AWEZNQCLSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H](CN[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001379901447 962245190 /nfs/dbraw/zinc/24/51/90/962245190.db2.gz GALOIWNCFMTEQN-CABCVRRESA-N 1 3 322.453 0.091 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)CC[C@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001379970251 962418793 /nfs/dbraw/zinc/41/87/93/962418793.db2.gz YNTFUWLPVPKFNO-LSDHHAIUSA-N 1 3 324.425 0.272 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)CC[C@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001379970251 962418804 /nfs/dbraw/zinc/41/88/04/962418804.db2.gz YNTFUWLPVPKFNO-LSDHHAIUSA-N 1 3 324.425 0.272 20 0 DCADHO O=C([C@@H]1CCN1C1CCCC1)N1CC([NH2+]C2CCOCC2)C1 ZINC001364086728 962442761 /nfs/dbraw/zinc/44/27/61/962442761.db2.gz CUNVHNVDULJKOH-INIZCTEOSA-N 1 3 307.438 0.983 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(F)c1 ZINC001379294781 962559783 /nfs/dbraw/zinc/55/97/83/962559783.db2.gz QRRKMKVSCRXSOZ-OAHLLOKOSA-N 1 3 311.401 0.733 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)C1(N(C)C)CCC1 ZINC001379303278 962583804 /nfs/dbraw/zinc/58/38/04/962583804.db2.gz ITVJQMQUINCHBX-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001380171573 962822343 /nfs/dbraw/zinc/82/23/43/962822343.db2.gz LNIPNVWQZNLCHN-RUXDESIVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001380182851 962833614 /nfs/dbraw/zinc/83/36/14/962833614.db2.gz PSKRWHQWBXWTBR-ZNMIVQPWSA-N 1 3 309.454 0.774 20 0 DCADHO O=C(NC[C@H](CO)NCc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001379401192 962834256 /nfs/dbraw/zinc/83/42/56/962834256.db2.gz VNDZXSQCFAALSA-IAGOWNOFSA-N 1 3 317.433 0.595 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001380287564 962997876 /nfs/dbraw/zinc/99/78/76/962997876.db2.gz BBPCOJZDBHWNAE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC1(C)CC[NH+](C[C@@H](O)COC)CC1)N(C)C ZINC001380310255 963024433 /nfs/dbraw/zinc/02/44/33/963024433.db2.gz YREPQQVVPNAXGR-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)[C@H]1C ZINC001379571719 963197787 /nfs/dbraw/zinc/19/77/87/963197787.db2.gz PWKZGNAVLXVZQM-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC(C)(C)C ZINC001379596386 963234694 /nfs/dbraw/zinc/23/46/94/963234694.db2.gz FKNWRXSMXAUUAP-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001379697456 963399302 /nfs/dbraw/zinc/39/93/02/963399302.db2.gz OVERSONVOQLONP-UKRRQHHQSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001379697456 963399308 /nfs/dbraw/zinc/39/93/08/963399308.db2.gz OVERSONVOQLONP-UKRRQHHQSA-N 1 3 322.453 0.662 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001380676475 963481514 /nfs/dbraw/zinc/48/15/14/963481514.db2.gz LQFNKGZINLRVMJ-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001381103194 963816796 /nfs/dbraw/zinc/81/67/96/963816796.db2.gz MCNCNPQFKRIRSU-OCCSQVGLSA-N 1 3 322.457 0.495 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cccn1 ZINC001381212922 963896313 /nfs/dbraw/zinc/89/63/13/963896313.db2.gz DMJFJWRTACDPBQ-CABCVRRESA-N 1 3 307.442 0.709 20 0 DCADHO Cn1ccnc1CNC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001375247389 964170741 /nfs/dbraw/zinc/17/07/41/964170741.db2.gz VVTYXIGIGAGUMF-HUUCEWRRSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CNC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001375247389 964170748 /nfs/dbraw/zinc/17/07/48/964170748.db2.gz VVTYXIGIGAGUMF-HUUCEWRRSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001375274295 964196522 /nfs/dbraw/zinc/19/65/22/964196522.db2.gz VGCQRZBMVCWYDY-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001375274295 964196529 /nfs/dbraw/zinc/19/65/29/964196529.db2.gz VGCQRZBMVCWYDY-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@H]1CCNC1=O ZINC001369038247 964329457 /nfs/dbraw/zinc/32/94/57/964329457.db2.gz JZECIPLRNUDCTO-KGLIPLIRSA-N 1 3 321.425 0.303 20 0 DCADHO CCN1CC[C@@H](NC2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1=O ZINC001375528900 964518540 /nfs/dbraw/zinc/51/85/40/964518540.db2.gz FHMAJSWTMWPYQM-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCc1ccnn1C ZINC001369316552 964722855 /nfs/dbraw/zinc/72/28/55/964722855.db2.gz WUASWSHUSXSJAP-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC001373862972 964727356 /nfs/dbraw/zinc/72/73/56/964727356.db2.gz BUFPNNAAVCDBGW-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375711348 964746115 /nfs/dbraw/zinc/74/61/15/964746115.db2.gz KPNAXBYGRQEVIP-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375711348 964746120 /nfs/dbraw/zinc/74/61/20/964746120.db2.gz KPNAXBYGRQEVIP-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO COCCN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001447757848 1013521565 /nfs/dbraw/zinc/52/15/65/1013521565.db2.gz GAXIDIJUXCQAIN-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001369368293 964838035 /nfs/dbraw/zinc/83/80/35/964838035.db2.gz FVQMKQOGMFQXSY-OLZOCXBDSA-N 1 3 321.412 0.685 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001369390097 964878220 /nfs/dbraw/zinc/87/82/20/964878220.db2.gz KOFTXDLSLVVUEM-UONOGXRCSA-N 1 3 308.430 0.199 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@H]1C ZINC001369390089 964878738 /nfs/dbraw/zinc/87/87/38/964878738.db2.gz KOFTXDLSLVVUEM-KGLIPLIRSA-N 1 3 308.430 0.199 20 0 DCADHO Cn1ccnc1CNC[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001375895254 964964057 /nfs/dbraw/zinc/96/40/57/964964057.db2.gz KYWAOEWSBDYLHG-WMLDXEAASA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001375895254 964964058 /nfs/dbraw/zinc/96/40/58/964964058.db2.gz KYWAOEWSBDYLHG-WMLDXEAASA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001375895255 964964297 /nfs/dbraw/zinc/96/42/97/964964297.db2.gz KYWAOEWSBDYLHG-YOEHRIQHSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001375895255 964964307 /nfs/dbraw/zinc/96/43/07/964964307.db2.gz KYWAOEWSBDYLHG-YOEHRIQHSA-N 1 3 319.453 0.700 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001369434690 964971572 /nfs/dbraw/zinc/97/15/72/964971572.db2.gz GAGCAYGLMOWARE-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC(N)=O)CC1 ZINC001375916613 964976182 /nfs/dbraw/zinc/97/61/82/964976182.db2.gz IHJFTLMYSHSOBV-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)cn1 ZINC001374112717 965023911 /nfs/dbraw/zinc/02/39/11/965023911.db2.gz QYKYPIUMSKZQBI-ZDUSSCGKSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)CN(C)C1CCC1 ZINC001374236618 965168565 /nfs/dbraw/zinc/16/85/65/965168565.db2.gz YGWRDFCNQMMVGQ-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001369580875 965191747 /nfs/dbraw/zinc/19/17/47/965191747.db2.gz ALTMEKZGNGSBCN-RUXDESIVSA-N 1 3 312.458 0.384 20 0 DCADHO COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001369581253 965194524 /nfs/dbraw/zinc/19/45/24/965194524.db2.gz HEAYGTHYWIUFSL-CVSAEHQPSA-N 1 3 315.458 0.159 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001369624656 965224222 /nfs/dbraw/zinc/22/42/22/965224222.db2.gz UIPJECDWSLTFNL-JXQTWKCFSA-N 1 3 310.442 0.136 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001376156677 965302146 /nfs/dbraw/zinc/30/21/46/965302146.db2.gz DHWUJGWCYURXTG-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001376156677 965302161 /nfs/dbraw/zinc/30/21/61/965302161.db2.gz DHWUJGWCYURXTG-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374355401 965308750 /nfs/dbraw/zinc/30/87/50/965308750.db2.gz VKQMHBZUTRILKM-CQSZACIVSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)CC(N)=O ZINC001374404519 965345758 /nfs/dbraw/zinc/34/57/58/965345758.db2.gz WKDIBPJGCOUDMD-UHFFFAOYSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@H](O)CCCN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001369850180 965488018 /nfs/dbraw/zinc/48/80/18/965488018.db2.gz YNPCJQFOGPLOPM-GJZGRUSLSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376296975 965492068 /nfs/dbraw/zinc/49/20/68/965492068.db2.gz PZLQDRVEANTGSU-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376296975 965492074 /nfs/dbraw/zinc/49/20/74/965492074.db2.gz PZLQDRVEANTGSU-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC2CC2)C1 ZINC001376342114 965544913 /nfs/dbraw/zinc/54/49/13/965544913.db2.gz ITCRDYMIDUKIIL-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[NH+]1CCN(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001369901586 965545465 /nfs/dbraw/zinc/54/54/65/965545465.db2.gz TXHRLRBGEIRQNT-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001374572403 965550846 /nfs/dbraw/zinc/55/08/46/965550846.db2.gz LXCCMLGCDKOMHE-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001376474690 965704158 /nfs/dbraw/zinc/70/41/58/965704158.db2.gz DWUXJDJABCWWOZ-APIJFGDWSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)CCC[NH+]2CCCC2)C1)N(C)C ZINC001374671364 965735273 /nfs/dbraw/zinc/73/52/73/965735273.db2.gz JUYUEDKNXCIORI-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccnn2C)CC[N@@H+]1C ZINC001374755153 965871090 /nfs/dbraw/zinc/87/10/90/965871090.db2.gz GBVSLYSRMHCWQX-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2ccnn2C)CC[N@H+]1C ZINC001374755153 965871098 /nfs/dbraw/zinc/87/10/98/965871098.db2.gz GBVSLYSRMHCWQX-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001374773239 965896588 /nfs/dbraw/zinc/89/65/88/965896588.db2.gz XCODRGRHISHGQK-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001374827696 965994891 /nfs/dbraw/zinc/99/48/91/965994891.db2.gz DGQFWAYXQYLWFL-NEPJUHHUSA-N 1 3 310.442 0.077 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374832516 966002597 /nfs/dbraw/zinc/00/25/97/966002597.db2.gz AUHIMEXWRACXNR-TZMCWYRMSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374832516 966002608 /nfs/dbraw/zinc/00/26/08/966002608.db2.gz AUHIMEXWRACXNR-TZMCWYRMSA-N 1 3 307.442 0.665 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001374849128 966029371 /nfs/dbraw/zinc/02/93/71/966029371.db2.gz KJPAXOOGAYECLP-UKRRQHHQSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370391470 966073148 /nfs/dbraw/zinc/07/31/48/966073148.db2.gz IUKXQZDTOZSNSM-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@H](O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001376735426 966091047 /nfs/dbraw/zinc/09/10/47/966091047.db2.gz CRDCGLCJAUDNFE-CYBMUJFWSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H](NCc1cncn1C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001447898109 1013631807 /nfs/dbraw/zinc/63/18/07/1013631807.db2.gz JSRYQBDIRBGBQU-OLZOCXBDSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CN(C)CCn1cc(Cl)cn1)NC(=O)CC[NH+](C)C ZINC001375095754 966346068 /nfs/dbraw/zinc/34/60/68/966346068.db2.gz CMYBANRXGZPKSO-GFCCVEGCSA-N 1 3 315.849 0.925 20 0 DCADHO COc1ncc(CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001370668122 966353478 /nfs/dbraw/zinc/35/34/78/966353478.db2.gz SQOBITMVAUAAPH-OKILXGFUSA-N 1 3 321.425 0.482 20 0 DCADHO CN(CC(C)(C)CNCc1nccn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001381482406 966451011 /nfs/dbraw/zinc/45/10/11/966451011.db2.gz AXVLVVGWQHWGKM-AWEZNQCLSA-N 1 3 321.469 0.946 20 0 DCADHO CN(CC(C)(C)CNCc1nccn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381482406 966451017 /nfs/dbraw/zinc/45/10/17/966451017.db2.gz AXVLVVGWQHWGKM-AWEZNQCLSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001370838570 966528397 /nfs/dbraw/zinc/52/83/97/966528397.db2.gz YHHFFGWAPGQIGC-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)C[C@H]1CCc2ncnn21 ZINC001381573323 966545595 /nfs/dbraw/zinc/54/55/95/966545595.db2.gz LKUUDUUPNMKCSA-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(C)C)CC[N@@H+]1C ZINC001371192383 966801732 /nfs/dbraw/zinc/80/17/32/966801732.db2.gz WUSORVSGLVYPAV-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(C)C)CC[N@H+]1C ZINC001371192383 966801736 /nfs/dbraw/zinc/80/17/36/966801736.db2.gz WUSORVSGLVYPAV-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCCNC1=O ZINC001382130060 966964726 /nfs/dbraw/zinc/96/47/26/966964726.db2.gz WFXVQROTZFKVTF-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001382151730 966985526 /nfs/dbraw/zinc/98/55/26/966985526.db2.gz KLTUYNBGFXZQIL-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001382151730 966985530 /nfs/dbraw/zinc/98/55/30/966985530.db2.gz KLTUYNBGFXZQIL-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001382270553 967147850 /nfs/dbraw/zinc/14/78/50/967147850.db2.gz CQTHFLGXQHWESG-IAGOWNOFSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001382270553 967147854 /nfs/dbraw/zinc/14/78/54/967147854.db2.gz CQTHFLGXQHWESG-IAGOWNOFSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001371699490 967251939 /nfs/dbraw/zinc/25/19/39/967251939.db2.gz AVITXQQEXMWYQW-BETUJISGSA-N 1 3 321.425 0.223 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CNCc1cnnn1C)C(C)(C)C ZINC001382537720 967478160 /nfs/dbraw/zinc/47/81/60/967478160.db2.gz CUOBEORQHGNHQZ-AWEZNQCLSA-N 1 3 324.473 0.777 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CNCc1cnnn1C)C(C)(C)C ZINC001382537720 967478163 /nfs/dbraw/zinc/47/81/63/967478163.db2.gz CUOBEORQHGNHQZ-AWEZNQCLSA-N 1 3 324.473 0.777 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001382562876 967498049 /nfs/dbraw/zinc/49/80/49/967498049.db2.gz DQHDVZOTTXXLDU-JXQTWKCFSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)CC[N@H+](C)CC)CC1)N(C)C ZINC001371983246 967515084 /nfs/dbraw/zinc/51/50/84/967515084.db2.gz PYJPHWNZQGXLNI-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)CC[N@@H+](C)CC)CC1)N(C)C ZINC001371983246 967515094 /nfs/dbraw/zinc/51/50/94/967515094.db2.gz PYJPHWNZQGXLNI-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372255196 967798953 /nfs/dbraw/zinc/79/89/53/967798953.db2.gz OOAMKAMNLNPTPQ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001372489984 968036963 /nfs/dbraw/zinc/03/69/63/968036963.db2.gz ZTOVIYQBSVQYOV-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001372489984 968036967 /nfs/dbraw/zinc/03/69/67/968036967.db2.gz ZTOVIYQBSVQYOV-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001372989926 968603278 /nfs/dbraw/zinc/60/32/78/968603278.db2.gz MNLBUYSKRUQRBT-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C2CC2)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001448596126 1013961660 /nfs/dbraw/zinc/96/16/60/1013961660.db2.gz QNEZBBYQGIEENA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCCCC1 ZINC001448783200 1014037161 /nfs/dbraw/zinc/03/71/61/1014037161.db2.gz KPNBAJJUJVCXGH-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001448897331 1014088151 /nfs/dbraw/zinc/08/81/51/1014088151.db2.gz CHNWUENYWZTFSW-IUODEOHRSA-N 1 3 303.422 0.676 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449023489 1014141602 /nfs/dbraw/zinc/14/16/02/1014141602.db2.gz SMBMVRGOLJZJAI-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO [NH3+]C[C@]12CCC[C@@H]1CN([C@@H]1CCN(C3CCOCC3)C1=O)C2 ZINC001549118117 1014139335 /nfs/dbraw/zinc/13/93/35/1014139335.db2.gz VSRGQDGKJSZUJH-UNEWFSDZSA-N 1 3 307.438 0.827 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)C2)nn1 ZINC001549170957 1014161668 /nfs/dbraw/zinc/16/16/68/1014161668.db2.gz YIEHNLWXOJSXLT-FMKPAKJESA-N 1 3 318.425 0.290 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)N(C)C ZINC001449094163 1014184431 /nfs/dbraw/zinc/18/44/31/1014184431.db2.gz MMICMTWMQSQZCW-STQMWFEESA-N 1 3 312.458 0.241 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001449102445 1014193445 /nfs/dbraw/zinc/19/34/45/1014193445.db2.gz ZQOGRENRGHOMPM-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001522702080 1014310562 /nfs/dbraw/zinc/31/05/62/1014310562.db2.gz JFGIGGCFRFCECL-AWEZNQCLSA-N 1 3 312.458 0.147 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](N(C)C)[C@H](n2ccnn2)C1 ZINC001549663450 1014388378 /nfs/dbraw/zinc/38/83/78/1014388378.db2.gz AGQZBMVERCTYEU-RBSFLKMASA-N 1 3 320.441 0.466 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](N(C)C)[C@H](n2ccnn2)C1 ZINC001549663450 1014388386 /nfs/dbraw/zinc/38/83/86/1014388386.db2.gz AGQZBMVERCTYEU-RBSFLKMASA-N 1 3 320.441 0.466 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001549673540 1014402947 /nfs/dbraw/zinc/40/29/47/1014402947.db2.gz PEWHZZNCEOWLOT-HZSPNIEDSA-N 1 3 308.430 0.178 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N(C)C ZINC001549740907 1014439271 /nfs/dbraw/zinc/43/92/71/1014439271.db2.gz ROUFNHKJIFTWKQ-GZBFAFLISA-N 1 3 310.442 0.090 20 0 DCADHO c1nn2c(c1CN1CCC(CO[C@H]3CC[NH2+]C3)CC1)CNCC2 ZINC001549753709 1014444263 /nfs/dbraw/zinc/44/42/63/1014444263.db2.gz PTHPNVHGDSYILJ-INIZCTEOSA-N 1 3 319.453 0.577 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090876 1014561003 /nfs/dbraw/zinc/56/10/03/1014561003.db2.gz XOSYHSCDZYWNQB-AWEZNQCLSA-N 1 3 321.425 0.110 20 0 DCADHO NCc1cn([C@H]2CCN(C(=O)CC[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001550095758 1014566172 /nfs/dbraw/zinc/56/61/72/1014566172.db2.gz RCGWUGZWYMQDRD-OCCSQVGLSA-N 1 3 306.414 0.290 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001550195747 1014621130 /nfs/dbraw/zinc/62/11/30/1014621130.db2.gz GIYIEPIBRSUOBE-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202505 1014625878 /nfs/dbraw/zinc/62/58/78/1014625878.db2.gz OODYOZOEZHREHB-CHWSQXEVSA-N 1 3 310.442 0.302 20 0 DCADHO C[C@@H](C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[C@H](C)[NH3+] ZINC001550202507 1014625953 /nfs/dbraw/zinc/62/59/53/1014625953.db2.gz OODYOZOEZHREHB-OLZOCXBDSA-N 1 3 310.442 0.302 20 0 DCADHO CCC[C@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200167 1014626006 /nfs/dbraw/zinc/62/60/06/1014626006.db2.gz SGAHPZIVQWMMKJ-ZDUSSCGKSA-N 1 3 310.442 0.446 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001550200343 1014626122 /nfs/dbraw/zinc/62/61/22/1014626122.db2.gz IEUHABPGZSDASG-UONOGXRCSA-N 1 3 322.453 0.446 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001449679961 1014630046 /nfs/dbraw/zinc/63/00/46/1014630046.db2.gz MJIYTFNBFJCVJU-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO [NH3+][C@@H]1COCCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001550265882 1014641303 /nfs/dbraw/zinc/64/13/03/1014641303.db2.gz QSIPMTWAPCOBHD-ZFWWWQNUSA-N 1 3 304.394 0.243 20 0 DCADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C1 ZINC001550278989 1014646442 /nfs/dbraw/zinc/64/64/42/1014646442.db2.gz GGMQRJCRFUBTQX-WFDRTZIDSA-N 1 3 324.469 0.878 20 0 DCADHO [NH3+][C@@]1(CO)CCCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001550730726 1014822420 /nfs/dbraw/zinc/82/24/20/1014822420.db2.gz HQRFDVDCMLKWKH-WBVHZDCISA-N 1 3 318.421 0.369 20 0 DCADHO CC(C)(C)NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550914632 1014914002 /nfs/dbraw/zinc/91/40/02/1014914002.db2.gz YGVKJQQVMJCAIN-WFASDCNBSA-N 1 3 310.442 0.138 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN3C[C@@H](O)C[C@H]3C2)C1 ZINC001551213055 1014998514 /nfs/dbraw/zinc/99/85/14/1014998514.db2.gz QVSXPFIJQALOCP-ILXRZTDVSA-N 1 3 310.442 0.179 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CCN3C[C@@H](O)C[C@H]3C2)C1 ZINC001551213055 1014998518 /nfs/dbraw/zinc/99/85/18/1014998518.db2.gz QVSXPFIJQALOCP-ILXRZTDVSA-N 1 3 310.442 0.179 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001531247908 1015119617 /nfs/dbraw/zinc/11/96/17/1015119617.db2.gz SEZBJCLDYUAWFQ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001531247908 1015119627 /nfs/dbraw/zinc/11/96/27/1015119627.db2.gz SEZBJCLDYUAWFQ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001384117864 985374388 /nfs/dbraw/zinc/37/43/88/985374388.db2.gz VKXPZMNSDRAXJU-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC001551587516 1015149589 /nfs/dbraw/zinc/14/95/89/1015149589.db2.gz WMFGCTTTXRLWAP-WJEHIRDRSA-N 1 3 310.442 0.666 20 0 DCADHO CN(C)C1(C(=O)N2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)CCC1 ZINC001450481661 1015167492 /nfs/dbraw/zinc/16/74/92/1015167492.db2.gz VAJJLZNWXKUXHJ-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385264873 986195532 /nfs/dbraw/zinc/19/55/32/986195532.db2.gz XTOPWZLXZRILLV-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385264873 986195535 /nfs/dbraw/zinc/19/55/35/986195535.db2.gz XTOPWZLXZRILLV-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CN(C)C1(C(=O)N2CCC(NC(=O)CC[NH+](C)C)CC2)CCC1 ZINC001385365929 986295595 /nfs/dbraw/zinc/29/55/95/986295595.db2.gz OQQLLGFCUAKDHT-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001385706903 986535813 /nfs/dbraw/zinc/53/58/13/986535813.db2.gz XBYGGQCTRKZULK-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001386115613 986847024 /nfs/dbraw/zinc/84/70/24/986847024.db2.gz QPSVJZNLYFXZDV-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001386115613 986847038 /nfs/dbraw/zinc/84/70/38/986847038.db2.gz QPSVJZNLYFXZDV-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001386343387 987091030 /nfs/dbraw/zinc/09/10/30/987091030.db2.gz DFKZKMXYTSBIGQ-BYNSBNAKSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001386343387 987091040 /nfs/dbraw/zinc/09/10/40/987091040.db2.gz DFKZKMXYTSBIGQ-BYNSBNAKSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NCCN2CCCC2)cnn1C ZINC001552166863 1015300685 /nfs/dbraw/zinc/30/06/85/1015300685.db2.gz LVYBLUZUCIBHDV-LSDHHAIUSA-N 1 3 305.426 0.244 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC001386900258 987490079 /nfs/dbraw/zinc/49/00/79/987490079.db2.gz IYYUKEIVOQYQBT-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC001386900258 987490081 /nfs/dbraw/zinc/49/00/81/987490081.db2.gz IYYUKEIVOQYQBT-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001450724920 1015323966 /nfs/dbraw/zinc/32/39/66/1015323966.db2.gz YTFVARSXSSKJJL-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001450724920 1015323980 /nfs/dbraw/zinc/32/39/80/1015323980.db2.gz YTFVARSXSSKJJL-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552217760 1015334056 /nfs/dbraw/zinc/33/40/56/1015334056.db2.gz IRNDIVLGCSKHOA-BRWVUGGUSA-N 1 3 321.465 0.992 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001387932312 988298440 /nfs/dbraw/zinc/29/84/40/988298440.db2.gz WSFOHJQZTQAINZ-OAHLLOKOSA-N 1 3 312.458 0.099 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCN(C)[C@H]2C)C1 ZINC001552311198 1015385216 /nfs/dbraw/zinc/38/52/16/1015385216.db2.gz JOGRSIZWXXXUCO-ZJIFWQFVSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001388729848 988543739 /nfs/dbraw/zinc/54/37/39/988543739.db2.gz YPRABGLRQVYQLH-KKUMJFAQSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001389249338 989030138 /nfs/dbraw/zinc/03/01/38/989030138.db2.gz MVWIODXASLEWPB-KBPBESRZSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001389439163 989248906 /nfs/dbraw/zinc/24/89/06/989248906.db2.gz ZDSZEEWKFGYIRU-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001389498438 989332187 /nfs/dbraw/zinc/33/21/87/989332187.db2.gz KFFIPYFREIWZFJ-BFHYXJOUSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001389498438 989332195 /nfs/dbraw/zinc/33/21/95/989332195.db2.gz KFFIPYFREIWZFJ-BFHYXJOUSA-N 1 3 312.458 0.145 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCN1C(=O)CCC[NH+](C)C)C1CCC1 ZINC001389653946 989466772 /nfs/dbraw/zinc/46/67/72/989466772.db2.gz FDMPELHTNAGHNZ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCN2C(=O)CCC[NH+](C)C)C1 ZINC001389775623 989563631 /nfs/dbraw/zinc/56/36/31/989563631.db2.gz WYPOYRWQILCBKR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001390602535 990236693 /nfs/dbraw/zinc/23/66/93/990236693.db2.gz FMUMGFKRCUAEHH-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2cn(C)nn2)C1 ZINC001390610317 990243696 /nfs/dbraw/zinc/24/36/96/990243696.db2.gz ITYSCKQVUFFOTA-UONOGXRCSA-N 1 3 322.457 0.674 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2cn(C)nn2)C1 ZINC001390610317 990243701 /nfs/dbraw/zinc/24/37/01/990243701.db2.gz ITYSCKQVUFFOTA-UONOGXRCSA-N 1 3 322.457 0.674 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCN1 ZINC001552909445 1015561266 /nfs/dbraw/zinc/56/12/66/1015561266.db2.gz AZNMDVGOLWVCAG-HNNXBMFYSA-N 1 3 317.437 0.561 20 0 DCADHO CN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@H]1CCN(C)C1 ZINC001552914794 1015561617 /nfs/dbraw/zinc/56/16/17/1015561617.db2.gz BRLHBKOEBOKSNF-AWEZNQCLSA-N 1 3 303.410 0.267 20 0 DCADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CCc1ccnn1C ZINC001390906884 990469120 /nfs/dbraw/zinc/46/91/20/990469120.db2.gz LLFWCYXNDFIPPM-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CCc1ccnn1C ZINC001390906884 990469121 /nfs/dbraw/zinc/46/91/21/990469121.db2.gz LLFWCYXNDFIPPM-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001391121654 990604402 /nfs/dbraw/zinc/60/44/02/990604402.db2.gz YCCQDRDAPLMLLQ-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)CC1 ZINC001553023271 1015589845 /nfs/dbraw/zinc/58/98/45/1015589845.db2.gz HGYRQZBCEMBIME-FVQBIDKESA-N 1 3 308.470 0.563 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)CC1 ZINC001553023272 1015590715 /nfs/dbraw/zinc/59/07/15/1015590715.db2.gz HGYRQZBCEMBIME-NUEKZKHPSA-N 1 3 308.470 0.563 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553217501 1015643348 /nfs/dbraw/zinc/64/33/48/1015643348.db2.gz SVXSZSHZPFNSRY-KGLIPLIRSA-N 1 3 310.442 0.321 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cncn1C ZINC001392479055 991983245 /nfs/dbraw/zinc/98/32/45/991983245.db2.gz DWQQHIOSCJBFIW-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cncn1C ZINC001392479055 991983255 /nfs/dbraw/zinc/98/32/55/991983255.db2.gz DWQQHIOSCJBFIW-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001392538251 992063073 /nfs/dbraw/zinc/06/30/73/992063073.db2.gz WBVGMIKRQCQELB-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001392566130 992104149 /nfs/dbraw/zinc/10/41/49/992104149.db2.gz SALXFFLSMXMEBJ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001392566130 992104154 /nfs/dbraw/zinc/10/41/54/992104154.db2.gz SALXFFLSMXMEBJ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001392567084 992106315 /nfs/dbraw/zinc/10/63/15/992106315.db2.gz HBOLFPMOIPKZGS-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001392573975 992112493 /nfs/dbraw/zinc/11/24/93/992112493.db2.gz FZKJKZYAEWOHMO-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001392573975 992112496 /nfs/dbraw/zinc/11/24/96/992112496.db2.gz FZKJKZYAEWOHMO-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](C(=O)N[C@@H](C)CNCC(=O)N1CCC1)[NH+]1CCCCCC1 ZINC001392597831 992142562 /nfs/dbraw/zinc/14/25/62/992142562.db2.gz YHSPWLZRFTUADE-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392848064 992457932 /nfs/dbraw/zinc/45/79/32/992457932.db2.gz WBIGWZGGBKOTNI-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392848064 992457937 /nfs/dbraw/zinc/45/79/37/992457937.db2.gz WBIGWZGGBKOTNI-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001392884653 992495904 /nfs/dbraw/zinc/49/59/04/992495904.db2.gz VCTOBSLQVLBGNR-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001392884653 992495910 /nfs/dbraw/zinc/49/59/10/992495910.db2.gz VCTOBSLQVLBGNR-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001392964643 992587773 /nfs/dbraw/zinc/58/77/73/992587773.db2.gz WBJPOGSJJXVHSN-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C[C@H]1C ZINC001393035063 992640624 /nfs/dbraw/zinc/64/06/24/992640624.db2.gz XNZBJMXVCYHPHC-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001393053019 992653395 /nfs/dbraw/zinc/65/33/95/992653395.db2.gz XHMRGLHWZHEBJA-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001393159036 992721951 /nfs/dbraw/zinc/72/19/51/992721951.db2.gz JAMWHADFNXGBNA-KRWDZBQOSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCCC(=O)NCC1(C)CCN([C@H]2CCNC2=O)CC1 ZINC001393180620 992730224 /nfs/dbraw/zinc/73/02/24/992730224.db2.gz LSNLFRMHNFUVBA-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001393249292 992789412 /nfs/dbraw/zinc/78/94/12/992789412.db2.gz LOYZIANEVXJUFM-GDBMZVCRSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001393249292 992789420 /nfs/dbraw/zinc/78/94/20/992789420.db2.gz LOYZIANEVXJUFM-GDBMZVCRSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H]([NH2+]CCn1cncn1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393397396 992944740 /nfs/dbraw/zinc/94/47/40/992944740.db2.gz VTXKQSJZEONCFX-OLZOCXBDSA-N 1 3 317.397 0.071 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2nccn2C)C1 ZINC001393402378 992949661 /nfs/dbraw/zinc/94/96/61/992949661.db2.gz VHCLTOWQCRLXME-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2nccn2C)C1 ZINC001393402378 992949667 /nfs/dbraw/zinc/94/96/67/992949667.db2.gz VHCLTOWQCRLXME-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393474402 993019524 /nfs/dbraw/zinc/01/95/24/993019524.db2.gz SMIRIUHVUKRONN-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cnn(C)c3)CCC2)CC[N@@H+]1C ZINC001393536260 993063509 /nfs/dbraw/zinc/06/35/09/993063509.db2.gz IMQVDTHVIZIFMX-UKRRQHHQSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3cnn(C)c3)CCC2)CC[N@H+]1C ZINC001393536260 993063518 /nfs/dbraw/zinc/06/35/18/993063518.db2.gz IMQVDTHVIZIFMX-UKRRQHHQSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001393592660 993111803 /nfs/dbraw/zinc/11/18/03/993111803.db2.gz GWWLSQZPMWCADP-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001393908201 993335366 /nfs/dbraw/zinc/33/53/66/993335366.db2.gz OOSIYBLVDNZDGV-SSDMNJCBSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)CCc1ccnn1C)[NH+](C)C ZINC001399640335 993626265 /nfs/dbraw/zinc/62/62/65/993626265.db2.gz XLORBMOJVRPPEO-OAHLLOKOSA-N 1 3 309.458 0.597 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001394393197 993675885 /nfs/dbraw/zinc/67/58/85/993675885.db2.gz ROVXYANGBCRQEZ-AAVRWANBSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001394442196 993711205 /nfs/dbraw/zinc/71/12/05/993711205.db2.gz XQJOTWAGOGAGOT-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001394461866 993730339 /nfs/dbraw/zinc/73/03/39/993730339.db2.gz HJIDGAIAWXNDJM-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)NC1CC1 ZINC001394487978 993764704 /nfs/dbraw/zinc/76/47/04/993764704.db2.gz CSYUHQOOPZSLFV-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)NC1CC1 ZINC001394487978 993764714 /nfs/dbraw/zinc/76/47/14/993764714.db2.gz CSYUHQOOPZSLFV-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001394539053 993809600 /nfs/dbraw/zinc/80/96/00/993809600.db2.gz ISUSFBYBHDWKJA-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001394545742 993818417 /nfs/dbraw/zinc/81/84/17/993818417.db2.gz XBEWDGDVEWPQSD-ZFWWWQNUSA-N 1 3 314.474 0.487 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC2CC2)C[C@@H]1C ZINC001394671177 993999897 /nfs/dbraw/zinc/99/98/97/993999897.db2.gz PXKOFOZXVSTCAK-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC2CC2)C[C@@H]1C ZINC001394671177 993999909 /nfs/dbraw/zinc/99/99/09/993999909.db2.gz PXKOFOZXVSTCAK-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N(C)CC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001394672032 994001097 /nfs/dbraw/zinc/00/10/97/994001097.db2.gz NQZNBHUZAZFYHM-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001394712384 994043669 /nfs/dbraw/zinc/04/36/69/994043669.db2.gz KIHHLLBNYWTDTQ-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCc2ccccn2)CC[N@@H+]1C ZINC001394740920 994090492 /nfs/dbraw/zinc/09/04/92/994090492.db2.gz KKLIYADSFVOUNY-FVQBIDKESA-N 1 3 320.437 0.331 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCc2ccccn2)CC[N@H+]1C ZINC001394740920 994090506 /nfs/dbraw/zinc/09/05/06/994090506.db2.gz KKLIYADSFVOUNY-FVQBIDKESA-N 1 3 320.437 0.331 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001400063271 994120867 /nfs/dbraw/zinc/12/08/67/994120867.db2.gz FLFYJXFMTPNKHD-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001400063271 994120872 /nfs/dbraw/zinc/12/08/72/994120872.db2.gz FLFYJXFMTPNKHD-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C(C)(C)C)N(C)C ZINC001394834423 994195798 /nfs/dbraw/zinc/19/57/98/994195798.db2.gz KNEOCXZPMCRGQJ-RYUDHWBXSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001394853177 994213040 /nfs/dbraw/zinc/21/30/40/994213040.db2.gz PGWXWNWPZYBWMA-YMAMQOFZSA-N 1 3 324.469 0.526 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001394972311 994321410 /nfs/dbraw/zinc/32/14/10/994321410.db2.gz RLHJGMXBAIJVNV-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001400254913 994344638 /nfs/dbraw/zinc/34/46/38/994344638.db2.gz NDGFYNWWTSWAHY-ILXRZTDVSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001400254913 994344650 /nfs/dbraw/zinc/34/46/50/994344650.db2.gz NDGFYNWWTSWAHY-ILXRZTDVSA-N 1 3 315.458 0.114 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001395128165 994452265 /nfs/dbraw/zinc/45/22/65/994452265.db2.gz GJIIYLHWXPBUEL-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001395128165 994452273 /nfs/dbraw/zinc/45/22/73/994452273.db2.gz GJIIYLHWXPBUEL-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001400462961 994543796 /nfs/dbraw/zinc/54/37/96/994543796.db2.gz AZXVMJLVXAFVKF-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001400487662 994574719 /nfs/dbraw/zinc/57/47/19/994574719.db2.gz XOBYTHORXXPAFR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001400487662 994574731 /nfs/dbraw/zinc/57/47/31/994574731.db2.gz XOBYTHORXXPAFR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001395454603 994667013 /nfs/dbraw/zinc/66/70/13/994667013.db2.gz SWDIUHOVDMUHFT-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@H]2CCN(CCCF)C2)CC1 ZINC001400624293 994720010 /nfs/dbraw/zinc/72/00/10/994720010.db2.gz KIUHRBUDHZWMKD-ZDUSSCGKSA-N 1 3 301.406 0.647 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001400759551 994890059 /nfs/dbraw/zinc/89/00/59/994890059.db2.gz QXSANMXOYVBREF-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001400759551 994890063 /nfs/dbraw/zinc/89/00/63/994890063.db2.gz QXSANMXOYVBREF-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCn1cccn1 ZINC001400913232 995058496 /nfs/dbraw/zinc/05/84/96/995058496.db2.gz ZMUGCSQIHFQBIH-ZDUSSCGKSA-N 1 3 304.398 0.642 20 0 DCADHO Cn1nncc1CNC[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401016641 995118146 /nfs/dbraw/zinc/11/81/46/995118146.db2.gz BVXLQGLIOQQBMA-MLGOLLRUSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401016641 995118151 /nfs/dbraw/zinc/11/81/51/995118151.db2.gz BVXLQGLIOQQBMA-MLGOLLRUSA-N 1 3 320.441 0.141 20 0 DCADHO CN(C)C(=O)CN1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001401079944 995155325 /nfs/dbraw/zinc/15/53/25/995155325.db2.gz NNXPHEPWVDANMS-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CN1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001401079944 995155330 /nfs/dbraw/zinc/15/53/30/995155330.db2.gz NNXPHEPWVDANMS-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001401087592 995163306 /nfs/dbraw/zinc/16/33/06/995163306.db2.gz QEZMSUPCSZMRPV-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@]2(O)CCCNC2)C1 ZINC001573408360 1163429476 /nfs/dbraw/zinc/42/94/76/1163429476.db2.gz XDRWQOVFFBFCSI-RHSMWYFYSA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@]2(O)CCCNC2)C1 ZINC001573408360 1163429483 /nfs/dbraw/zinc/42/94/83/1163429483.db2.gz XDRWQOVFFBFCSI-RHSMWYFYSA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001396476109 995420438 /nfs/dbraw/zinc/42/04/38/995420438.db2.gz JOGZVGXCXJNSPQ-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001397127281 995812137 /nfs/dbraw/zinc/81/21/37/995812137.db2.gz DOABDZDXHKTIBN-XUXIUFHCSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001417040818 995885967 /nfs/dbraw/zinc/88/59/67/995885967.db2.gz NKUCMSWRAFINRS-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001417040818 995885969 /nfs/dbraw/zinc/88/59/69/995885969.db2.gz NKUCMSWRAFINRS-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001397666792 996123518 /nfs/dbraw/zinc/12/35/18/996123518.db2.gz ADOYXNDBGLCVIW-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001507129376 1016007158 /nfs/dbraw/zinc/00/71/58/1016007158.db2.gz XJVVMMOUTSEAQD-STQMWFEESA-N 1 3 314.474 0.665 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC001507161755 1016045575 /nfs/dbraw/zinc/04/55/75/1016045575.db2.gz MLIMWCIFRFUVKB-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001502735690 1016046690 /nfs/dbraw/zinc/04/66/90/1016046690.db2.gz ZUVWNMNAMJFXBP-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001398622009 996609467 /nfs/dbraw/zinc/60/94/67/996609467.db2.gz NOYBCAXYVYUGRJ-UPJWGTAASA-N 1 3 310.442 0.184 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001398768827 996679742 /nfs/dbraw/zinc/67/97/42/996679742.db2.gz RDKAPUSGQCGRBI-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CCCC[C@@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001404309203 996951298 /nfs/dbraw/zinc/95/12/98/996951298.db2.gz CXWACTNYNZKUSR-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001404364489 997039441 /nfs/dbraw/zinc/03/94/41/997039441.db2.gz BAACZLGAGKUNKQ-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)N1CCCC1 ZINC001399241249 997114698 /nfs/dbraw/zinc/11/46/98/997114698.db2.gz LYNJTGMVROCYBM-HNNXBMFYSA-N 1 3 322.453 0.143 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001404538748 997217587 /nfs/dbraw/zinc/21/75/87/997217587.db2.gz VDXXVKLRQGSQDC-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001404538748 997217595 /nfs/dbraw/zinc/21/75/95/997217595.db2.gz VDXXVKLRQGSQDC-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001404640192 997321676 /nfs/dbraw/zinc/32/16/76/997321676.db2.gz UVLJSLHSLDEXKR-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001404640192 997321691 /nfs/dbraw/zinc/32/16/91/997321691.db2.gz UVLJSLHSLDEXKR-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CO[C@@H](C)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001502895555 1016122111 /nfs/dbraw/zinc/12/21/11/1016122111.db2.gz NPRKDHUMPUCBTF-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](CO)NCCC(F)(F)F)CC1 ZINC001507227983 1016152235 /nfs/dbraw/zinc/15/22/35/1016152235.db2.gz JAIJQNHVQLWQTH-SNVBAGLBSA-N 1 3 311.348 0.347 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001507252354 1016183964 /nfs/dbraw/zinc/18/39/64/1016183964.db2.gz JFGUSVPACJVCMF-SJORKVTESA-N 1 3 319.449 0.904 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001507252354 1016183971 /nfs/dbraw/zinc/18/39/71/1016183971.db2.gz JFGUSVPACJVCMF-SJORKVTESA-N 1 3 319.449 0.904 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2=O)CC1 ZINC001405529849 998302913 /nfs/dbraw/zinc/30/29/13/998302913.db2.gz XJPBMDFSOGCPLQ-KKUMJFAQSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001405572460 998340906 /nfs/dbraw/zinc/34/09/06/998340906.db2.gz XVBPYBXTKAPDIM-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001405732384 998511682 /nfs/dbraw/zinc/51/16/82/998511682.db2.gz MZAQXHYMCUSCIV-ZDUSSCGKSA-N 1 3 317.437 0.723 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)[C@H]1C ZINC001507295348 1016226546 /nfs/dbraw/zinc/22/65/46/1016226546.db2.gz ALCUDMLQWZNTFM-UKRRQHHQSA-N 1 3 307.442 0.839 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001507327101 1016254718 /nfs/dbraw/zinc/25/47/18/1016254718.db2.gz XJFXWBKQGTWZNU-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)CCCN2CCCC2=O)CCC1 ZINC001418464569 1000249793 /nfs/dbraw/zinc/24/97/93/1000249793.db2.gz CGXUWXMHDIVSFL-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCCN2CCCC2=O)CCC1 ZINC001418464569 1000249795 /nfs/dbraw/zinc/24/97/95/1000249795.db2.gz CGXUWXMHDIVSFL-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](F)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507485078 1016397652 /nfs/dbraw/zinc/39/76/52/1016397652.db2.gz PWLITVUNXKYTEZ-OLZOCXBDSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)N(C)C(=O)CN1CCCC1 ZINC001401254647 1000311827 /nfs/dbraw/zinc/31/18/27/1000311827.db2.gz FRSIGIVWKQBMTP-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H](CNCC(N)=O)C2CCCCC2)CC1 ZINC001401288980 1000333715 /nfs/dbraw/zinc/33/37/15/1000333715.db2.gz QFWUEJUGHSFVJG-OAHLLOKOSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001418661650 1000429771 /nfs/dbraw/zinc/42/97/71/1000429771.db2.gz ADOYXNDBGLCVIW-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+]C[C@@H](C)O ZINC001418747782 1000489983 /nfs/dbraw/zinc/48/99/83/1000489983.db2.gz QYXTXUKVYUEJNA-RBSFLKMASA-N 1 3 315.458 0.161 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001401555534 1000492087 /nfs/dbraw/zinc/49/20/87/1000492087.db2.gz LMJMVAVBKNWPMF-CVEARBPZSA-N 1 3 322.453 0.605 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401598525 1000532583 /nfs/dbraw/zinc/53/25/83/1000532583.db2.gz VEMSLWCEODDFPD-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401598525 1000532589 /nfs/dbraw/zinc/53/25/89/1000532589.db2.gz VEMSLWCEODDFPD-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401626721 1000565109 /nfs/dbraw/zinc/56/51/09/1000565109.db2.gz HGDYKXSSUCYLII-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401626721 1000565114 /nfs/dbraw/zinc/56/51/14/1000565114.db2.gz HGDYKXSSUCYLII-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001401628264 1000566057 /nfs/dbraw/zinc/56/60/57/1000566057.db2.gz XHXYBWCCGAAJMV-GFCCVEGCSA-N 1 3 307.442 0.807 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001418847500 1000567874 /nfs/dbraw/zinc/56/78/74/1000567874.db2.gz QRRQPOQNMAIPKG-NEPJUHHUSA-N 1 3 321.425 0.303 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001418894566 1000596812 /nfs/dbraw/zinc/59/68/12/1000596812.db2.gz ILTSPZKRRLMJJJ-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505681855 1016440916 /nfs/dbraw/zinc/44/09/16/1016440916.db2.gz OUYJZFYJJJLZJY-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCC1)C1CCC1 ZINC001419304909 1000962810 /nfs/dbraw/zinc/96/28/10/1000962810.db2.gz PBGLBLXGEQTJAO-CQSZACIVSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001402046406 1000971862 /nfs/dbraw/zinc/97/18/62/1000971862.db2.gz ZQYGYWLDBZZLGS-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]C[C@@H](C)O)C1CCCC1 ZINC001402120908 1001033420 /nfs/dbraw/zinc/03/34/20/1001033420.db2.gz KFTGRKBUBOLWFW-IAQYHMDHSA-N 1 3 308.426 0.906 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001402155863 1001070945 /nfs/dbraw/zinc/07/09/45/1001070945.db2.gz IJFUGKZGDFASES-WMLDXEAASA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001419508285 1001104844 /nfs/dbraw/zinc/10/48/44/1001104844.db2.gz JPFUMGRKJSLFQB-KBPBESRZSA-N 1 3 321.469 0.912 20 0 DCADHO CO[C@@H](C)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC001402244998 1001134069 /nfs/dbraw/zinc/13/40/69/1001134069.db2.gz SPGUJJYPYZBSPU-AWEZNQCLSA-N 1 3 315.458 0.617 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1 ZINC001419605982 1001169411 /nfs/dbraw/zinc/16/94/11/1001169411.db2.gz JBPIAYZQWUXNBY-ZIAGYGMSSA-N 1 3 324.469 0.752 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC ZINC001419612008 1001172276 /nfs/dbraw/zinc/17/22/76/1001172276.db2.gz PXQMLUOZWUIWPS-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC ZINC001419612008 1001172279 /nfs/dbraw/zinc/17/22/79/1001172279.db2.gz PXQMLUOZWUIWPS-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CCCC1 ZINC001419776083 1001300078 /nfs/dbraw/zinc/30/00/78/1001300078.db2.gz NJOHGVVWZNAMBN-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001419810889 1001326973 /nfs/dbraw/zinc/32/69/73/1001326973.db2.gz BZAYHIFBBQOGLY-UKRRQHHQSA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001419812642 1001328964 /nfs/dbraw/zinc/32/89/64/1001328964.db2.gz CACYBODJYDMHQZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001419838111 1001345896 /nfs/dbraw/zinc/34/58/96/1001345896.db2.gz MBACYNPQUGUDHT-IUODEOHRSA-N 1 3 324.473 0.575 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN([C@H](C)COC)C1 ZINC001402476491 1001346093 /nfs/dbraw/zinc/34/60/93/1001346093.db2.gz WKZTVYMVQACDOJ-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN([C@H](C)COC)C1 ZINC001402476491 1001346098 /nfs/dbraw/zinc/34/60/98/1001346098.db2.gz WKZTVYMVQACDOJ-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001419853967 1001358569 /nfs/dbraw/zinc/35/85/69/1001358569.db2.gz QZSWDEWTEPCTOY-KBPBESRZSA-N 1 3 320.437 0.321 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001419855012 1001359509 /nfs/dbraw/zinc/35/95/09/1001359509.db2.gz UKQYNIBGRNVCMV-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001402751401 1001489017 /nfs/dbraw/zinc/48/90/17/1001489017.db2.gz AYUARARBRKZBLH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1NCC(N)=O ZINC001402776361 1001497709 /nfs/dbraw/zinc/49/77/09/1001497709.db2.gz VHSGFMZSAGNMML-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CCn1nncc1C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001402841596 1001527822 /nfs/dbraw/zinc/52/78/22/1001527822.db2.gz OIRMKRQVXVTFDE-KBPBESRZSA-N 1 3 322.457 0.624 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1ccnn1C ZINC001402915088 1001576034 /nfs/dbraw/zinc/57/60/34/1001576034.db2.gz JHSLUQLFVKYFDO-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCCN(C)C1=O ZINC001402925329 1001582612 /nfs/dbraw/zinc/58/26/12/1001582612.db2.gz GZAZXVXCNWLPMO-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCNC(=O)C1CC1)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001402938981 1001590521 /nfs/dbraw/zinc/59/05/21/1001590521.db2.gz SUKQQCJIUJZQGK-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001403040186 1001644833 /nfs/dbraw/zinc/64/48/33/1001644833.db2.gz NKJXEWONGLGYSM-STQMWFEESA-N 1 3 322.457 0.972 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCn1cncn1 ZINC001403165049 1001702065 /nfs/dbraw/zinc/70/20/65/1001702065.db2.gz DTZICJZKKIZTNY-CYBMUJFWSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001419943592 1001711769 /nfs/dbraw/zinc/71/17/69/1001711769.db2.gz OHCFKVABILXKIW-GDBMZVCRSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001419943592 1001711773 /nfs/dbraw/zinc/71/17/73/1001711773.db2.gz OHCFKVABILXKIW-GDBMZVCRSA-N 1 3 321.469 0.992 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001419975456 1001736658 /nfs/dbraw/zinc/73/66/58/1001736658.db2.gz YYKORWKWGFWOLV-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001419975456 1001736662 /nfs/dbraw/zinc/73/66/62/1001736662.db2.gz YYKORWKWGFWOLV-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001419987038 1001746239 /nfs/dbraw/zinc/74/62/39/1001746239.db2.gz BSRIMSFWYOJBMS-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001403253249 1001762594 /nfs/dbraw/zinc/76/25/94/1001762594.db2.gz XFEJIOMWMQRAOW-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001420026900 1001771408 /nfs/dbraw/zinc/77/14/08/1001771408.db2.gz KAKIAHIRJPQGAA-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001403463701 1001993508 /nfs/dbraw/zinc/99/35/08/1001993508.db2.gz KCZCQBTUVZTSAL-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCc1cncs1)[NH+](C)C ZINC001420202219 1002032829 /nfs/dbraw/zinc/03/28/29/1002032829.db2.gz JVGRIEGRQKOJJZ-AAEUAGOBSA-N 1 3 314.455 0.296 20 0 DCADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403498510 1002037214 /nfs/dbraw/zinc/03/72/14/1002037214.db2.gz GWASFMSDCWPTDY-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H](CNCC(N)=O)C1CC1 ZINC001403498510 1002037225 /nfs/dbraw/zinc/03/72/25/1002037225.db2.gz GWASFMSDCWPTDY-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CC[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001420228345 1002078690 /nfs/dbraw/zinc/07/86/90/1002078690.db2.gz NCPBUHXHNNLJCO-STQMWFEESA-N 1 3 324.469 0.622 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@@H]1CCNC1=O ZINC001420233927 1002087487 /nfs/dbraw/zinc/08/74/87/1002087487.db2.gz KDCQDXVZJMPEIH-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@@H]1CCNC1=O ZINC001420233927 1002087502 /nfs/dbraw/zinc/08/75/02/1002087502.db2.gz KDCQDXVZJMPEIH-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001424860349 1002101170 /nfs/dbraw/zinc/10/11/70/1002101170.db2.gz RYBDQIQHCPXATO-OLZOCXBDSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@@H]([NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001424860594 1002101694 /nfs/dbraw/zinc/10/16/94/1002101694.db2.gz UZUWOANHLZHKGP-IYXRBSQSSA-N 1 3 324.469 0.704 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001403545975 1002118170 /nfs/dbraw/zinc/11/81/70/1002118170.db2.gz KNGYWKOLCPUEMK-UBHSHLNASA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001403545975 1002118178 /nfs/dbraw/zinc/11/81/78/1002118178.db2.gz KNGYWKOLCPUEMK-UBHSHLNASA-N 1 3 310.442 0.029 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C ZINC001424897600 1002126880 /nfs/dbraw/zinc/12/68/80/1002126880.db2.gz IRTGUNPQWOMGSL-CYBMUJFWSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001403554908 1002133661 /nfs/dbraw/zinc/13/36/61/1002133661.db2.gz NBHNJFWCIMLHMB-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC1CCCC1 ZINC001403571935 1002158612 /nfs/dbraw/zinc/15/86/12/1002158612.db2.gz ATBCREADAZQUJQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1cncn1C ZINC001403585620 1002171263 /nfs/dbraw/zinc/17/12/63/1002171263.db2.gz BHKZYLFOBWQZHG-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001420312508 1002205716 /nfs/dbraw/zinc/20/57/16/1002205716.db2.gz SYUAKVKNTHHHKV-GMTAPVOTSA-N 1 3 313.364 0.734 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCc1cncn1C ZINC001403620630 1002221995 /nfs/dbraw/zinc/22/19/95/1002221995.db2.gz WHGOGHHRUIVVGS-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001420365943 1002284896 /nfs/dbraw/zinc/28/48/96/1002284896.db2.gz RVIRGJRUOHQBCT-CHWSQXEVSA-N 1 3 308.430 0.202 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001420378449 1002310060 /nfs/dbraw/zinc/31/00/60/1002310060.db2.gz USEOYRWVPGDLAE-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2)C1 ZINC001403704528 1002389178 /nfs/dbraw/zinc/38/91/78/1002389178.db2.gz QXPWLEBWJKKVNL-ZBFHGGJFSA-N 1 3 305.422 0.595 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001425153017 1002404410 /nfs/dbraw/zinc/40/44/10/1002404410.db2.gz OZLKIWQWNYRMLT-GXTWGEPZSA-N 1 3 323.441 0.549 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420453792 1002442988 /nfs/dbraw/zinc/44/29/88/1002442988.db2.gz BFOOSXJHMOGUAQ-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001403750562 1002464319 /nfs/dbraw/zinc/46/43/19/1002464319.db2.gz KVRNBCZSNIHZBF-UONOGXRCSA-N 1 3 315.458 0.208 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001420550823 1002603296 /nfs/dbraw/zinc/60/32/96/1002603296.db2.gz CCZSDZVQMCYTTP-CQSZACIVSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001420550823 1002603303 /nfs/dbraw/zinc/60/33/03/1002603303.db2.gz CCZSDZVQMCYTTP-CQSZACIVSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001425418071 1002658563 /nfs/dbraw/zinc/65/85/63/1002658563.db2.gz ZBOGPEWQOSVXLK-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001425555693 1002812023 /nfs/dbraw/zinc/81/20/23/1002812023.db2.gz KMNWIRGQIUQMIM-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001425555693 1002812039 /nfs/dbraw/zinc/81/20/39/1002812039.db2.gz KMNWIRGQIUQMIM-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CN1CC[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C1=O ZINC001403981204 1002845020 /nfs/dbraw/zinc/84/50/20/1002845020.db2.gz FJVUTQKWHHCLDW-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001420732869 1002883200 /nfs/dbraw/zinc/88/32/00/1002883200.db2.gz OKRBSYFQXIRWKD-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1CCc1cnn(C)c1 ZINC001404016970 1002906824 /nfs/dbraw/zinc/90/68/24/1002906824.db2.gz HMHLBVYXMFDCKE-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1CCc1cnn(C)c1 ZINC001404016970 1002906834 /nfs/dbraw/zinc/90/68/34/1002906834.db2.gz HMHLBVYXMFDCKE-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN([C@H]3CCCNC3=O)C2)CC1 ZINC001404078490 1002981592 /nfs/dbraw/zinc/98/15/92/1002981592.db2.gz YEPBXHAFJTWXRW-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001420966179 1003183009 /nfs/dbraw/zinc/18/30/09/1003183009.db2.gz SVVKOMADUKJUQI-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001421003161 1003224092 /nfs/dbraw/zinc/22/40/92/1003224092.db2.gz BKVJZQPKAXELLG-GOEBONIOSA-N 1 3 309.454 0.992 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001405985147 1003238788 /nfs/dbraw/zinc/23/87/88/1003238788.db2.gz NEAHKDGUORIUMP-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CN(C)C1CCC1 ZINC001425902407 1003240234 /nfs/dbraw/zinc/24/02/34/1003240234.db2.gz UMERQCWMYLYPPR-OCCSQVGLSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@]1(C[NH2+]Cc2cnns2)CCN(C(=O)CN2CCCC2)C1 ZINC001421250019 1003482660 /nfs/dbraw/zinc/48/26/60/1003482660.db2.gz BJBLSWGODNBZHV-HNNXBMFYSA-N 1 3 323.466 0.962 20 0 DCADHO C[C@@H](O)CN1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001421310537 1003528888 /nfs/dbraw/zinc/52/88/88/1003528888.db2.gz FFOVXVMZYRYIJO-KGLIPLIRSA-N 1 3 313.442 0.011 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001426223057 1003662312 /nfs/dbraw/zinc/66/23/12/1003662312.db2.gz KEPBSOJDTISBGY-RUXDESIVSA-N 1 3 310.442 0.184 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC001426237768 1003670700 /nfs/dbraw/zinc/67/07/00/1003670700.db2.gz OAQDGCQSLXYTNZ-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)CC[NH+]2CCCCC2)C1=O ZINC001406555286 1003834771 /nfs/dbraw/zinc/83/47/71/1003834771.db2.gz GNSYEGLBBHASOF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001406695447 1004008681 /nfs/dbraw/zinc/00/86/81/1004008681.db2.gz GBZNEKSCTRTVKQ-DOMZBBRYSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001406695447 1004008691 /nfs/dbraw/zinc/00/86/91/1004008691.db2.gz GBZNEKSCTRTVKQ-DOMZBBRYSA-N 1 3 322.457 0.283 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001428657821 1004093589 /nfs/dbraw/zinc/09/35/89/1004093589.db2.gz OAJZHQZAYYFYNI-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428657821 1004093598 /nfs/dbraw/zinc/09/35/98/1004093598.db2.gz OAJZHQZAYYFYNI-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001428743760 1004142619 /nfs/dbraw/zinc/14/26/19/1004142619.db2.gz QQXKGNCXTWXHFE-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001428743760 1004142625 /nfs/dbraw/zinc/14/26/25/1004142625.db2.gz QQXKGNCXTWXHFE-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1 ZINC001406928538 1004230430 /nfs/dbraw/zinc/23/04/30/1004230430.db2.gz ZCKCHLXJQVJVKR-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1 ZINC001406928538 1004230437 /nfs/dbraw/zinc/23/04/37/1004230437.db2.gz ZCKCHLXJQVJVKR-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001407118546 1004398361 /nfs/dbraw/zinc/39/83/61/1004398361.db2.gz YLGJFKVEOLSRMN-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](C[C@H](C)O)CC1 ZINC001407270160 1004507991 /nfs/dbraw/zinc/50/79/91/1004507991.db2.gz MNDMXCVQDDOSMI-LBPRGKRZSA-N 1 3 308.426 0.860 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001427789576 1004608549 /nfs/dbraw/zinc/60/85/49/1004608549.db2.gz OBWQEMNFNISFPT-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)CN(C)C1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429613799 1004695527 /nfs/dbraw/zinc/69/55/27/1004695527.db2.gz GJVAPAJHXQEEGO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)CN(C)C1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429613799 1004695531 /nfs/dbraw/zinc/69/55/31/1004695531.db2.gz GJVAPAJHXQEEGO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001407525662 1004711423 /nfs/dbraw/zinc/71/14/23/1004711423.db2.gz FMIZBWJBPWYQEW-XQLPTFJDSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001408085122 1005028692 /nfs/dbraw/zinc/02/86/92/1005028692.db2.gz CWZBJMARLMDMNQ-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC001408098095 1005039380 /nfs/dbraw/zinc/03/93/80/1005039380.db2.gz PYVAOGMIYVPFHQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCCC2)[C@@H](C)C1 ZINC001408098095 1005039383 /nfs/dbraw/zinc/03/93/83/1005039383.db2.gz PYVAOGMIYVPFHQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1ccnn1C ZINC001408104416 1005043881 /nfs/dbraw/zinc/04/38/81/1005043881.db2.gz XTQHOTXERDEAAW-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CCN1CC[C@H](NC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1=O ZINC001408304862 1005150901 /nfs/dbraw/zinc/15/09/01/1005150901.db2.gz SBJLZHQEYNJLTM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCn1cccn1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408346717 1005169428 /nfs/dbraw/zinc/16/94/28/1005169428.db2.gz WCKCEMPESVPDNB-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCn1cccn1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408346717 1005169432 /nfs/dbraw/zinc/16/94/32/1005169432.db2.gz WCKCEMPESVPDNB-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408465392 1005211560 /nfs/dbraw/zinc/21/15/60/1005211560.db2.gz OROWUDBXLDKAQP-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408465392 1005211562 /nfs/dbraw/zinc/21/15/62/1005211562.db2.gz OROWUDBXLDKAQP-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001414666192 1005380182 /nfs/dbraw/zinc/38/01/82/1005380182.db2.gz KOCLJQIFNVNNHF-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001414666192 1005380185 /nfs/dbraw/zinc/38/01/85/1005380185.db2.gz KOCLJQIFNVNNHF-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC(NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001414674311 1005382239 /nfs/dbraw/zinc/38/22/39/1005382239.db2.gz XDPWEZUPIVTOTB-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)CCn1cncn1 ZINC001506064875 1016966953 /nfs/dbraw/zinc/96/69/53/1016966953.db2.gz FFHGEUTUIDSLBM-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001414966098 1005434139 /nfs/dbraw/zinc/43/41/39/1005434139.db2.gz QLSMXXVWVNFIHS-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001414966098 1005434137 /nfs/dbraw/zinc/43/41/37/1005434137.db2.gz QLSMXXVWVNFIHS-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C1(N(C)C)CCC1 ZINC001415217816 1005483050 /nfs/dbraw/zinc/48/30/50/1005483050.db2.gz JHCKLHOOCMSJAF-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C ZINC001415493448 1005545800 /nfs/dbraw/zinc/54/58/00/1005545800.db2.gz PXQNTYIOPQDNSL-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001417813650 1005895314 /nfs/dbraw/zinc/89/53/14/1005895314.db2.gz PGTPGEBGYUBDLN-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001417903303 1005919336 /nfs/dbraw/zinc/91/93/36/1005919336.db2.gz TYYHZLIFDQSEKW-TZMCWYRMSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001418009996 1005954592 /nfs/dbraw/zinc/95/45/92/1005954592.db2.gz HPVYUOAVXCIQJR-KGLIPLIRSA-N 1 3 310.442 0.042 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001418043674 1005971895 /nfs/dbraw/zinc/97/18/95/1005971895.db2.gz FDFCKMJIIDWVLP-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001418043674 1005971900 /nfs/dbraw/zinc/97/19/00/1005971900.db2.gz FDFCKMJIIDWVLP-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C[C@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)CCC[NH+](C)C ZINC001514714663 1017016747 /nfs/dbraw/zinc/01/67/47/1017016747.db2.gz OZQYOSKEIYJXMQ-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438673018 1006012245 /nfs/dbraw/zinc/01/22/45/1006012245.db2.gz GEMXRPDQBLXPDW-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001438682214 1006025177 /nfs/dbraw/zinc/02/51/77/1006025177.db2.gz NDIIZKSOXGRKDC-NWDGAFQWSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001438711998 1006062439 /nfs/dbraw/zinc/06/24/39/1006062439.db2.gz VIYZUUDQYYWRKD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001438711998 1006062449 /nfs/dbraw/zinc/06/24/49/1006062449.db2.gz VIYZUUDQYYWRKD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001438721430 1006067684 /nfs/dbraw/zinc/06/76/84/1006067684.db2.gz LJXOWSGPDCVFIO-CHWSQXEVSA-N 1 3 322.457 0.816 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001438721430 1006067698 /nfs/dbraw/zinc/06/76/98/1006067698.db2.gz LJXOWSGPDCVFIO-CHWSQXEVSA-N 1 3 322.457 0.816 20 0 DCADHO CCNC(=O)CNC[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001438744439 1006092360 /nfs/dbraw/zinc/09/23/60/1006092360.db2.gz VBANNSIHFDHIDF-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001436358017 1006141323 /nfs/dbraw/zinc/14/13/23/1006141323.db2.gz FOAMQIHOXRLSQI-YHUYYLMFSA-N 1 3 309.454 0.849 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001436358011 1006142643 /nfs/dbraw/zinc/14/26/43/1006142643.db2.gz FOAMQIHOXRLSQI-XUWVNRHRSA-N 1 3 309.454 0.849 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C ZINC001438829364 1006147568 /nfs/dbraw/zinc/14/75/68/1006147568.db2.gz ORQSCHOSBCPABB-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccnn1C ZINC001418228694 1006208596 /nfs/dbraw/zinc/20/85/96/1006208596.db2.gz GQUQFGGFSOYKCP-HOCLYGCPSA-N 1 3 321.469 0.931 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001418249223 1006245686 /nfs/dbraw/zinc/24/56/86/1006245686.db2.gz JVHZAKLMASFWRH-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001418249223 1006245696 /nfs/dbraw/zinc/24/56/96/1006245696.db2.gz JVHZAKLMASFWRH-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N[C@@H](C)C(N)=O ZINC001418272938 1006282816 /nfs/dbraw/zinc/28/28/16/1006282816.db2.gz DDIHTOBTPWZXLW-OLZOCXBDSA-N 1 3 320.437 0.372 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1)CC(C)(C)C ZINC001439018616 1006368284 /nfs/dbraw/zinc/36/82/84/1006368284.db2.gz GYYVFJYGFRIPLN-ZIAGYGMSSA-N 1 3 315.458 0.068 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC[C@H]1C)NC(=O)CC[NH+](C)C ZINC001439146132 1006515588 /nfs/dbraw/zinc/51/55/88/1006515588.db2.gz DFZKYWIMQVHUDZ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001437029054 1006537621 /nfs/dbraw/zinc/53/76/21/1006537621.db2.gz GSYJJOPCZDJYAC-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001437094166 1006581064 /nfs/dbraw/zinc/58/10/64/1006581064.db2.gz VZOUXXSNKLQSPU-IYXRBSQSSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCCC1 ZINC001437142961 1006639832 /nfs/dbraw/zinc/63/98/32/1006639832.db2.gz FNBKRQOIOYNFSE-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001439287070 1006660140 /nfs/dbraw/zinc/66/01/40/1006660140.db2.gz XMYWNKABJPAOSE-ZDUSSCGKSA-N 1 3 308.426 0.320 20 0 DCADHO C[C@@H](NC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001437202354 1006701974 /nfs/dbraw/zinc/70/19/74/1006701974.db2.gz PMJXIPODZNGJTK-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001437206855 1006704780 /nfs/dbraw/zinc/70/47/80/1006704780.db2.gz NIVLWHSOHDVILS-OLZOCXBDSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)C12CCC[NH+]1CCC2 ZINC001439347040 1006734969 /nfs/dbraw/zinc/73/49/69/1006734969.db2.gz OANIWHYUXMHJSJ-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439365842 1006762202 /nfs/dbraw/zinc/76/22/02/1006762202.db2.gz MDSAFPHSGNMFAM-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439365842 1006762215 /nfs/dbraw/zinc/76/22/15/1006762215.db2.gz MDSAFPHSGNMFAM-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001437335321 1006855160 /nfs/dbraw/zinc/85/51/60/1006855160.db2.gz XSQOEYWOBFAKSI-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cnns1 ZINC001437374303 1006900895 /nfs/dbraw/zinc/90/08/95/1006900895.db2.gz TWMLEWPBUQCNKF-RISCZKNCSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2ccnn2C)C2CC2)C1 ZINC001439479838 1006908607 /nfs/dbraw/zinc/90/86/07/1006908607.db2.gz ZSMDIMVTXQDNEK-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cncn1C)N(C)C ZINC001437382926 1006908525 /nfs/dbraw/zinc/90/85/25/1006908525.db2.gz XCMDWHYFRRHKSQ-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO C[C@H]1C[C@@H](NCc2nccn2C)CCN1C(=O)CC[NH+](C)C ZINC001439775689 1007188992 /nfs/dbraw/zinc/18/89/92/1007188992.db2.gz SPBLAIYBXLZPAG-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001437921842 1007501355 /nfs/dbraw/zinc/50/13/55/1007501355.db2.gz HKFIPKDNENZKJH-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001437921842 1007501363 /nfs/dbraw/zinc/50/13/63/1007501363.db2.gz HKFIPKDNENZKJH-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001440134458 1007511149 /nfs/dbraw/zinc/51/11/49/1007511149.db2.gz IVWZQBRDAOVDDO-GOEBONIOSA-N 1 3 321.469 0.944 20 0 DCADHO CN(CCN1CC[NH+](CC2CC2)CC1)C(=O)[C@H]1CCCCN1C ZINC001437958538 1007536365 /nfs/dbraw/zinc/53/63/65/1007536365.db2.gz YXDYYKVILGYSCO-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001440335055 1007679981 /nfs/dbraw/zinc/67/99/81/1007679981.db2.gz PLXHIELHEWEUQH-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001440365495 1007699248 /nfs/dbraw/zinc/69/92/48/1007699248.db2.gz BMLKSFDOEWTQFZ-JOCQHMNTSA-N 1 3 317.397 0.037 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cnnn1C ZINC001438326516 1007823849 /nfs/dbraw/zinc/82/38/49/1007823849.db2.gz IBSYOKNNKDXXIM-ZDUSSCGKSA-N 1 3 308.430 0.141 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001438441255 1007910885 /nfs/dbraw/zinc/91/08/85/1007910885.db2.gz YZIIAMIJOFUZNU-IHRRRGAJSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C ZINC001438459384 1007921118 /nfs/dbraw/zinc/92/11/18/1007921118.db2.gz XKXKVRFTIXSEKV-NWANDNLSSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001441006345 1008171189 /nfs/dbraw/zinc/17/11/89/1008171189.db2.gz XDVGVZJZKXRPNU-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001441380925 1008340145 /nfs/dbraw/zinc/34/01/45/1008340145.db2.gz AOKUZVAPOPFXEM-MGPQQGTHSA-N 1 3 324.469 0.752 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001441414281 1008348517 /nfs/dbraw/zinc/34/85/17/1008348517.db2.gz FEYPZSQPLQWEMY-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001441459308 1008363543 /nfs/dbraw/zinc/36/35/43/1008363543.db2.gz HGAWWKAPQHXMTC-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)N2CCC2)CC[N@@H+]1C ZINC001441508827 1008382065 /nfs/dbraw/zinc/38/20/65/1008382065.db2.gz GLNNUXPRUVKLNP-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)N2CCC2)CC[N@H+]1C ZINC001441508827 1008382068 /nfs/dbraw/zinc/38/20/68/1008382068.db2.gz GLNNUXPRUVKLNP-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001441642303 1008435442 /nfs/dbraw/zinc/43/54/42/1008435442.db2.gz TVWLFJNYYNYLRR-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001441674652 1008453475 /nfs/dbraw/zinc/45/34/75/1008453475.db2.gz ICVLPOHJAGDSRF-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001441674652 1008453478 /nfs/dbraw/zinc/45/34/78/1008453478.db2.gz ICVLPOHJAGDSRF-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)C)[C@H]1C ZINC001441818205 1008515945 /nfs/dbraw/zinc/51/59/45/1008515945.db2.gz CJAWLVBTZFRORZ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)C)[C@H]1C ZINC001441818205 1008515948 /nfs/dbraw/zinc/51/59/48/1008515948.db2.gz CJAWLVBTZFRORZ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001453551827 1008573561 /nfs/dbraw/zinc/57/35/61/1008573561.db2.gz PDLAAFYZFBFVPV-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001453551827 1008573577 /nfs/dbraw/zinc/57/35/77/1008573577.db2.gz PDLAAFYZFBFVPV-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441935796 1008676814 /nfs/dbraw/zinc/67/68/14/1008676814.db2.gz PBYDPTRQRVZWMM-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441935796 1008676823 /nfs/dbraw/zinc/67/68/23/1008676823.db2.gz PBYDPTRQRVZWMM-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001421547961 1008711803 /nfs/dbraw/zinc/71/18/03/1008711803.db2.gz ZRLQRMHUMLGSIL-CABCVRRESA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@](CNCC(N)=O)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001421569130 1008739567 /nfs/dbraw/zinc/73/95/67/1008739567.db2.gz KNFCFWHBDCOQOW-INIZCTEOSA-N 1 3 310.442 0.222 20 0 DCADHO C[C@H]([NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001421598888 1008775378 /nfs/dbraw/zinc/77/53/78/1008775378.db2.gz XLTFPESXUBWXLO-NSHDSACASA-N 1 3 307.398 0.044 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001442006614 1008794874 /nfs/dbraw/zinc/79/48/74/1008794874.db2.gz HJSFSWRJEIKUOX-GFCCVEGCSA-N 1 3 303.410 0.475 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001442041761 1008856778 /nfs/dbraw/zinc/85/67/78/1008856778.db2.gz BUJULGFIZVBCGR-QWHCGFSZSA-N 1 3 324.425 0.546 20 0 DCADHO Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)CN2CCOCC2)o1 ZINC001442041761 1008856798 /nfs/dbraw/zinc/85/67/98/1008856798.db2.gz BUJULGFIZVBCGR-QWHCGFSZSA-N 1 3 324.425 0.546 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001421693177 1008941915 /nfs/dbraw/zinc/94/19/15/1008941915.db2.gz RAWAZYNZLOTODR-OUCADQQQSA-N 1 3 324.425 0.865 20 0 DCADHO COc1cc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001421693177 1008941928 /nfs/dbraw/zinc/94/19/28/1008941928.db2.gz RAWAZYNZLOTODR-OUCADQQQSA-N 1 3 324.425 0.865 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001421796455 1009103805 /nfs/dbraw/zinc/10/38/05/1009103805.db2.gz YURYWTLLJRQFRD-UHFFFAOYSA-N 1 3 317.437 0.644 20 0 DCADHO CN(CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1)C1CCC1 ZINC001421845861 1009159979 /nfs/dbraw/zinc/15/99/79/1009159979.db2.gz LZMAWONZKYLPDT-CQSZACIVSA-N 1 3 322.453 0.378 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001433767626 1009161668 /nfs/dbraw/zinc/16/16/68/1009161668.db2.gz PNAJQARYVNYGMD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001433767626 1009161673 /nfs/dbraw/zinc/16/16/73/1009161673.db2.gz PNAJQARYVNYGMD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001433911408 1009338972 /nfs/dbraw/zinc/33/89/72/1009338972.db2.gz FBJPHYQQYKUXPD-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)NCC2(NC(=O)CC[NH+](C)C)CC2)CCC1 ZINC001433910570 1009339616 /nfs/dbraw/zinc/33/96/16/1009339616.db2.gz VKYLTLLHYAZPRB-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001433947941 1009386280 /nfs/dbraw/zinc/38/62/80/1009386280.db2.gz RMIKOLKSAQXMOY-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC001422028510 1009415364 /nfs/dbraw/zinc/41/53/64/1009415364.db2.gz KRYSQNYGECUBOZ-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC001422028510 1009415370 /nfs/dbraw/zinc/41/53/70/1009415370.db2.gz KRYSQNYGECUBOZ-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO Cc1nnc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001422032288 1009417249 /nfs/dbraw/zinc/41/72/49/1009417249.db2.gz QAHYNKGRTZBEAK-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001422050431 1009438051 /nfs/dbraw/zinc/43/80/51/1009438051.db2.gz PMRNCBGXYONPDN-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001422093134 1009481028 /nfs/dbraw/zinc/48/10/28/1009481028.db2.gz GURGYDZKJOFDJB-KBPBESRZSA-N 1 3 310.442 0.090 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001434066650 1009516895 /nfs/dbraw/zinc/51/68/95/1009516895.db2.gz OLIWVYVGLLEAMC-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001434066650 1009516903 /nfs/dbraw/zinc/51/69/03/1009516903.db2.gz OLIWVYVGLLEAMC-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001434092844 1009549699 /nfs/dbraw/zinc/54/96/99/1009549699.db2.gz VTMLARNARPDJOT-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001434092844 1009549709 /nfs/dbraw/zinc/54/97/09/1009549709.db2.gz VTMLARNARPDJOT-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001455396319 1009708811 /nfs/dbraw/zinc/70/88/11/1009708811.db2.gz RZQADPJSWQRBFR-CHWSQXEVSA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001455396319 1009708819 /nfs/dbraw/zinc/70/88/19/1009708819.db2.gz RZQADPJSWQRBFR-CHWSQXEVSA-N 1 3 321.425 0.175 20 0 DCADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001422273008 1009747942 /nfs/dbraw/zinc/74/79/42/1009747942.db2.gz PJPZSMRJRLBZKT-SSDMNJCBSA-N 1 3 312.458 0.193 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001422293317 1009799763 /nfs/dbraw/zinc/79/97/63/1009799763.db2.gz KOWLUIKLTWMDMJ-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001422385264 1009993169 /nfs/dbraw/zinc/99/31/69/1009993169.db2.gz XSDUVXQMOGOWRX-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC001434501184 1010040924 /nfs/dbraw/zinc/04/09/24/1010040924.db2.gz IWWIAEIZYUJGJS-CQSZACIVSA-N 1 3 321.469 0.832 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC001422423710 1010060120 /nfs/dbraw/zinc/06/01/20/1010060120.db2.gz QBHUPHPENLFLBD-NRXISQOPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC1CC1 ZINC001443073365 1010113596 /nfs/dbraw/zinc/11/35/96/1010113596.db2.gz DGUBFIOCURIUBV-DOMZBBRYSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)CN(C)C1CCC1 ZINC001422457632 1010116889 /nfs/dbraw/zinc/11/68/89/1010116889.db2.gz VBXBSHKHMWKKQT-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CC[C@H](NC[C@@H](C)NC(=O)CCC[NH+](C)C)C1=O ZINC001422550934 1010285190 /nfs/dbraw/zinc/28/51/90/1010285190.db2.gz NGBIDNPMWLITMJ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)C[NH2+][C@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001422669893 1010473634 /nfs/dbraw/zinc/47/36/34/1010473634.db2.gz NRICUQVQCNLJIP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001422695844 1010496038 /nfs/dbraw/zinc/49/60/38/1010496038.db2.gz KKOLNZLTXBFJCJ-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001443614738 1010537466 /nfs/dbraw/zinc/53/74/66/1010537466.db2.gz NHGNBUNACBAYPI-HUUCEWRRSA-N 1 3 309.454 0.803 20 0 DCADHO COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001422743472 1010554138 /nfs/dbraw/zinc/55/41/38/1010554138.db2.gz LBDAPMDSCGCFEG-GXTWGEPZSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001422743472 1010554147 /nfs/dbraw/zinc/55/41/47/1010554147.db2.gz LBDAPMDSCGCFEG-GXTWGEPZSA-N 1 3 306.410 0.636 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)NC)C[C@H]2C1 ZINC001422869687 1010686458 /nfs/dbraw/zinc/68/64/58/1010686458.db2.gz GOSTYLMJMXMTJX-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(=O)NC)C[C@H]2C1 ZINC001422869687 1010686459 /nfs/dbraw/zinc/68/64/59/1010686459.db2.gz GOSTYLMJMXMTJX-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCc1cnn(C)c1 ZINC001422913362 1010734003 /nfs/dbraw/zinc/73/40/03/1010734003.db2.gz BEIUJHDZWNVYLP-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCc1cnn(C)c1 ZINC001422913362 1010734011 /nfs/dbraw/zinc/73/40/11/1010734011.db2.gz BEIUJHDZWNVYLP-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cnnn1C ZINC001443960936 1010778037 /nfs/dbraw/zinc/77/80/37/1010778037.db2.gz HMQWGFIGDSQJDH-ZDUSSCGKSA-N 1 3 322.457 0.674 20 0 DCADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OCC(N)=O)cc3)[C@H]2C1 ZINC001422974643 1010779518 /nfs/dbraw/zinc/77/95/18/1010779518.db2.gz SQSBXAMIPKEBKY-BPUTZDHNSA-N 1 3 303.406 0.981 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001423078954 1010868620 /nfs/dbraw/zinc/86/86/20/1010868620.db2.gz PEAZBXDDZHDDAJ-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001444248658 1010923317 /nfs/dbraw/zinc/92/33/17/1010923317.db2.gz KOPSQWZINGRKMY-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001423145966 1010923873 /nfs/dbraw/zinc/92/38/73/1010923873.db2.gz ITSLGFMRSMSYLS-NWDGAFQWSA-N 1 3 320.441 0.706 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001444360048 1010977766 /nfs/dbraw/zinc/97/77/66/1010977766.db2.gz YPXODKXSPVYPTI-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CCc2ccccc2)CCC1 ZINC001423234001 1011003497 /nfs/dbraw/zinc/00/34/97/1011003497.db2.gz LTYQSQWAQWSSPZ-INIZCTEOSA-N 1 3 319.449 0.780 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001423356806 1011100185 /nfs/dbraw/zinc/10/01/85/1011100185.db2.gz VNGHIIPZXGJDLI-KEYYUXOJSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001423401034 1011124633 /nfs/dbraw/zinc/12/46/33/1011124633.db2.gz IQCVWDKFDOHQRF-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCCC1 ZINC001423459220 1011163336 /nfs/dbraw/zinc/16/33/36/1011163336.db2.gz YDMJDGSFQHRSGE-DZGCQCFKSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001444805171 1011176665 /nfs/dbraw/zinc/17/66/65/1011176665.db2.gz BPNVMYXVQSBUMB-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1cnnn1C ZINC001444882354 1011196877 /nfs/dbraw/zinc/19/68/77/1011196877.db2.gz CEJXRPBPCZLFCB-GJZGRUSLSA-N 1 3 324.473 0.632 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001423639728 1011377990 /nfs/dbraw/zinc/37/79/90/1011377990.db2.gz VBFJABKBUOYSHW-RHSMWYFYSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001445226319 1011543493 /nfs/dbraw/zinc/54/34/93/1011543493.db2.gz QZKHMKCBTCQYRU-HUUCEWRRSA-N 1 3 315.458 0.066 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001534141463 1011549288 /nfs/dbraw/zinc/54/92/88/1011549288.db2.gz VXNGSEMAVULART-MJBXVCDLSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001534141463 1011549299 /nfs/dbraw/zinc/54/92/99/1011549299.db2.gz VXNGSEMAVULART-MJBXVCDLSA-N 1 3 312.458 0.145 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001445267579 1011599057 /nfs/dbraw/zinc/59/90/57/1011599057.db2.gz AYTWVRNTUMGFBX-GDBMZVCRSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001445267579 1011599071 /nfs/dbraw/zinc/59/90/71/1011599071.db2.gz AYTWVRNTUMGFBX-GDBMZVCRSA-N 1 3 320.437 0.299 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001534893912 1011715810 /nfs/dbraw/zinc/71/58/10/1011715810.db2.gz QJHHWVSMVLWWME-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445473665 1011800079 /nfs/dbraw/zinc/80/00/79/1011800079.db2.gz KQVFARXIYCTHBT-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445473665 1011800098 /nfs/dbraw/zinc/80/00/98/1011800098.db2.gz KQVFARXIYCTHBT-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001445499020 1011834515 /nfs/dbraw/zinc/83/45/15/1011834515.db2.gz MIOYIEPDZYZDSC-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO COCCN1CCC(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553438995 1011974918 /nfs/dbraw/zinc/97/49/18/1011974918.db2.gz IUBMDVBACOAAHS-BBRMVZONSA-N 1 3 310.442 0.539 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553439003 1011975486 /nfs/dbraw/zinc/97/54/86/1011975486.db2.gz IUBMDVBACOAAHS-CZUORRHYSA-N 1 3 310.442 0.539 20 0 DCADHO [NH3+][C@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC12CCC2 ZINC001553510890 1012054328 /nfs/dbraw/zinc/05/43/28/1012054328.db2.gz RWXPVLOAXBRBJB-GJZGRUSLSA-N 1 3 322.453 0.763 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553511521 1012056361 /nfs/dbraw/zinc/05/63/61/1012056361.db2.gz UDXNGQHBFRDKCN-YSVLISHTSA-N 1 3 322.453 0.681 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553512592 1012058282 /nfs/dbraw/zinc/05/82/82/1012058282.db2.gz FGVUAOCZGWFZQL-BYNSBNAKSA-N 1 3 310.442 0.368 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)N(C)C)C(N)=O ZINC001424151979 1012094023 /nfs/dbraw/zinc/09/40/23/1012094023.db2.gz CDKNPORTCFBJAK-MCIONIFRSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553544005 1012095816 /nfs/dbraw/zinc/09/58/16/1012095816.db2.gz BZMRVVXGSRBGSV-KLHDSHLOSA-N 1 3 324.469 0.473 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001445723685 1012164696 /nfs/dbraw/zinc/16/46/96/1012164696.db2.gz YZFCKNMMVMJOCA-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001445723685 1012164709 /nfs/dbraw/zinc/16/47/09/1012164709.db2.gz YZFCKNMMVMJOCA-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCc2ccnn2C)CCC1 ZINC001424210643 1012172391 /nfs/dbraw/zinc/17/23/91/1012172391.db2.gz KODFUTYBEABTCX-UHFFFAOYSA-N 1 3 321.469 0.931 20 0 DCADHO C[NH+](C)CCC(=O)N1CCO[C@H](CNCc2cncc(F)c2)C1 ZINC001424226074 1012193969 /nfs/dbraw/zinc/19/39/69/1012193969.db2.gz CWVOXOSNXQXGRZ-OAHLLOKOSA-N 1 3 324.400 0.489 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001536903301 1012269388 /nfs/dbraw/zinc/26/93/88/1012269388.db2.gz LQHJHHSNKZURRV-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001445846397 1012346316 /nfs/dbraw/zinc/34/63/16/1012346316.db2.gz LTFGKDMXPIXCQJ-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001445846397 1012346329 /nfs/dbraw/zinc/34/63/29/1012346329.db2.gz LTFGKDMXPIXCQJ-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CO[C@H](C)C[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001424529330 1012618341 /nfs/dbraw/zinc/61/83/41/1012618341.db2.gz JHQFHRKPYCCLSP-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCc2cnn(C)c2)CC1 ZINC001446300119 1012733144 /nfs/dbraw/zinc/73/31/44/1012733144.db2.gz RBPDFGBJVFSFBY-UHFFFAOYSA-N 1 3 307.442 0.541 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001496029265 1017123458 /nfs/dbraw/zinc/12/34/58/1017123458.db2.gz WRIYCKAGSVEGNB-DOMZBBRYSA-N 1 3 307.442 0.759 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC001521470240 1017383525 /nfs/dbraw/zinc/38/35/25/1017383525.db2.gz NCQCHCCWEXYBFF-XOYHFGRZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](NCCF)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001506848903 1017609995 /nfs/dbraw/zinc/60/99/95/1017609995.db2.gz GWWRLEKMKYRMLV-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001506896899 1017650011 /nfs/dbraw/zinc/65/00/11/1017650011.db2.gz BULCZGLOEOOFQM-SYQHCUMBSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)[C@@H]2CCCN(C)C2=O)C1 ZINC001479796506 1017775718 /nfs/dbraw/zinc/77/57/18/1017775718.db2.gz IJIYCHVDGAFGPJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@@H]2CCCN(C)C2=O)C1 ZINC001479796506 1017775729 /nfs/dbraw/zinc/77/57/29/1017775729.db2.gz IJIYCHVDGAFGPJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1ccc(F)c(F)c1 ZINC001497049562 1017785943 /nfs/dbraw/zinc/78/59/43/1017785943.db2.gz XJHBBTFKSKLJGJ-GFCCVEGCSA-N 1 3 315.364 0.483 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479832888 1017843080 /nfs/dbraw/zinc/84/30/80/1017843080.db2.gz JMMBHDYKEZLTCX-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001494632291 1017887461 /nfs/dbraw/zinc/88/74/61/1017887461.db2.gz HSFAUCSVUWSZPR-RDJZCZTQSA-N 1 3 309.454 0.801 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN(C2CC2)[C@H]2CCCNC2=O)C1 ZINC001479879789 1017926118 /nfs/dbraw/zinc/92/61/18/1017926118.db2.gz IXBFTVWMNRSCLM-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCCN(C2CC2)[C@H]2CCCNC2=O)C1 ZINC001479879789 1017926126 /nfs/dbraw/zinc/92/61/26/1017926126.db2.gz IXBFTVWMNRSCLM-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCCN(C2CC2)[C@H]2CCCNC2=O)C1 ZINC001479879791 1017927268 /nfs/dbraw/zinc/92/72/68/1017927268.db2.gz IXBFTVWMNRSCLM-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCCN(C2CC2)[C@H]2CCCNC2=O)C1 ZINC001479879791 1017927277 /nfs/dbraw/zinc/92/72/77/1017927277.db2.gz IXBFTVWMNRSCLM-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001499458832 1017939914 /nfs/dbraw/zinc/93/99/14/1017939914.db2.gz PSNPSFDXVFFCAK-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497383185 1018100498 /nfs/dbraw/zinc/10/04/98/1018100498.db2.gz GQUFZULAFAKQIQ-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001497394634 1018108902 /nfs/dbraw/zinc/10/89/02/1018108902.db2.gz PYTWZCRLCPMLHI-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001497394634 1018108910 /nfs/dbraw/zinc/10/89/10/1018108910.db2.gz PYTWZCRLCPMLHI-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001480028234 1018137570 /nfs/dbraw/zinc/13/75/70/1018137570.db2.gz LABQUHLWCGUTOS-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497483845 1018161958 /nfs/dbraw/zinc/16/19/58/1018161958.db2.gz CCWWYEVAUDXJHM-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497483845 1018161964 /nfs/dbraw/zinc/16/19/64/1018161964.db2.gz CCWWYEVAUDXJHM-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH2+]CCO)C2CC2)c1 ZINC001480065337 1018178318 /nfs/dbraw/zinc/17/83/18/1018178318.db2.gz HHLAUUGABBQULA-INIZCTEOSA-N 1 3 305.422 0.839 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H](C)C(N)=O ZINC001494981815 1018204053 /nfs/dbraw/zinc/20/40/53/1018204053.db2.gz UCLKCMJKBLPBJX-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001500087501 1018212978 /nfs/dbraw/zinc/21/29/78/1018212978.db2.gz AXEMFKXZTSRAAD-SOUVJXGZSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001500087501 1018212991 /nfs/dbraw/zinc/21/29/91/1018212991.db2.gz AXEMFKXZTSRAAD-SOUVJXGZSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001494995053 1018216179 /nfs/dbraw/zinc/21/61/79/1018216179.db2.gz OHAKRWOLJIRRSA-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001500328747 1018413450 /nfs/dbraw/zinc/41/34/50/1018413450.db2.gz UZWSHHARVFWDOE-WMLDXEAASA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001495302910 1018454012 /nfs/dbraw/zinc/45/40/12/1018454012.db2.gz LLPQTHKDZKRDND-YOEHRIQHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001495539562 1018565180 /nfs/dbraw/zinc/56/51/80/1018565180.db2.gz FIHZUBLJGZVDFN-OCCSQVGLSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001495539562 1018565189 /nfs/dbraw/zinc/56/51/89/1018565189.db2.gz FIHZUBLJGZVDFN-OCCSQVGLSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001497992593 1018566723 /nfs/dbraw/zinc/56/67/23/1018566723.db2.gz GDWVJGWXFGNZAE-KGLIPLIRSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001480476821 1018575157 /nfs/dbraw/zinc/57/51/57/1018575157.db2.gz KFCCEUFYGJMLPY-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NCC1CC1 ZINC001480526836 1018629982 /nfs/dbraw/zinc/62/99/82/1018629982.db2.gz RHOMQBWPXHEEOV-IPYPFGDCSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NCC1CC1 ZINC001480526836 1018629985 /nfs/dbraw/zinc/62/99/85/1018629985.db2.gz RHOMQBWPXHEEOV-IPYPFGDCSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001498117601 1018664438 /nfs/dbraw/zinc/66/44/38/1018664438.db2.gz FSAJCOPVHCNKRM-KGLIPLIRSA-N 1 3 307.442 0.399 20 0 DCADHO COc1cncc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001495807444 1018708031 /nfs/dbraw/zinc/70/80/31/1018708031.db2.gz CFDKLEZGKAIGEI-QWHCGFSZSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cncc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001495807444 1018708040 /nfs/dbraw/zinc/70/80/40/1018708040.db2.gz CFDKLEZGKAIGEI-QWHCGFSZSA-N 1 3 321.425 0.279 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)ncn1 ZINC001495815748 1018713958 /nfs/dbraw/zinc/71/39/58/1018713958.db2.gz RWWHBTXVERNWAX-ZDUSSCGKSA-N 1 3 307.442 0.967 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001480675075 1018765123 /nfs/dbraw/zinc/76/51/23/1018765123.db2.gz CTCMCOQDTXBOLM-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(CCOCC(F)F)C[C@H]2C1 ZINC001501230074 1018974729 /nfs/dbraw/zinc/97/47/29/1018974729.db2.gz RURSRZGRZQRJHE-BETUJISGSA-N 1 3 319.396 0.610 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496142802 1019108525 /nfs/dbraw/zinc/10/85/25/1019108525.db2.gz XTGWDLAEKSPGNG-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496142802 1019108538 /nfs/dbraw/zinc/10/85/38/1019108538.db2.gz XTGWDLAEKSPGNG-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)N(C)C(=O)CN1CCCC1 ZINC001496230624 1019178438 /nfs/dbraw/zinc/17/84/38/1019178438.db2.gz ZRQUEXLFPQACKI-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@@H](CNCCF)C2CC2)CC1 ZINC001498849592 1019470295 /nfs/dbraw/zinc/47/02/95/1019470295.db2.gz XTJWOYFAUXUMOF-AWEZNQCLSA-N 1 3 301.406 0.551 20 0 DCADHO Cn1cc(CNC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC2)cn1 ZINC001502026028 1019633184 /nfs/dbraw/zinc/63/31/84/1019633184.db2.gz KZQVHWBHPZJYFU-AWEZNQCLSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cc(CNC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)cn1 ZINC001502026028 1019633193 /nfs/dbraw/zinc/63/31/93/1019633193.db2.gz KZQVHWBHPZJYFU-AWEZNQCLSA-N 1 3 305.426 0.500 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001493695274 1019637510 /nfs/dbraw/zinc/63/75/10/1019637510.db2.gz GMJLBXIXCJTCND-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001493695274 1019637517 /nfs/dbraw/zinc/63/75/17/1019637517.db2.gz GMJLBXIXCJTCND-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001494022066 1019928237 /nfs/dbraw/zinc/92/82/37/1019928237.db2.gz RCENUMFAINCMCZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001494022066 1019928243 /nfs/dbraw/zinc/92/82/43/1019928243.db2.gz RCENUMFAINCMCZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494045345 1019947306 /nfs/dbraw/zinc/94/73/06/1019947306.db2.gz ZOYZJQAAHBKDQU-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001494062295 1019957772 /nfs/dbraw/zinc/95/77/72/1019957772.db2.gz WSEWVRRUULBGHT-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001494085839 1019972633 /nfs/dbraw/zinc/97/26/33/1019972633.db2.gz XFXKDXGSBSZGRJ-JOCQHMNTSA-N 1 3 321.425 0.366 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001494085839 1019972635 /nfs/dbraw/zinc/97/26/35/1019972635.db2.gz XFXKDXGSBSZGRJ-JOCQHMNTSA-N 1 3 321.425 0.366 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001494246421 1020096422 /nfs/dbraw/zinc/09/64/22/1020096422.db2.gz JYYIXYIBZGDWCZ-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCCNC2)n1 ZINC000415092738 282324162 /nfs/dbraw/zinc/32/41/62/282324162.db2.gz BANIRDBVURQSAL-MJBXVCDLSA-N 1 3 322.432 0.801 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188885784 530052174 /nfs/dbraw/zinc/05/21/74/530052174.db2.gz TYJGLKUJKUOMTI-RRFJBIMHSA-N 1 3 312.433 0.315 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188885784 530052175 /nfs/dbraw/zinc/05/21/75/530052175.db2.gz TYJGLKUJKUOMTI-RRFJBIMHSA-N 1 3 312.433 0.315 20 0 DCADHO CC(C)[NH2+]CCC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000167211601 291249055 /nfs/dbraw/zinc/24/90/55/291249055.db2.gz BUKHQJUNALCGCT-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C)C1CC1 ZINC000167204666 291248853 /nfs/dbraw/zinc/24/88/53/291248853.db2.gz QHDMIVHCZBDCGB-UHFFFAOYSA-N 1 3 320.441 0.725 20 0 DCADHO C[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000566209688 291282895 /nfs/dbraw/zinc/28/28/95/291282895.db2.gz ZEKLZRPQFWHSQO-NSHDSACASA-N 1 3 305.426 0.930 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000420605164 240049730 /nfs/dbraw/zinc/04/97/30/240049730.db2.gz UGRDHZCXCMOLNY-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000420605164 240049733 /nfs/dbraw/zinc/04/97/33/240049733.db2.gz UGRDHZCXCMOLNY-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO COC[C@@]1(C(=O)NCc2ccc(CN(C)C)cc2)CC[NH2+]C1 ZINC000423732122 240243337 /nfs/dbraw/zinc/24/33/37/240243337.db2.gz OTBSPDJTRSSWOY-QGZVFWFLSA-N 1 3 305.422 0.991 20 0 DCADHO COC[C@]1(C(=O)NCc2ccc(CN(C)C)cc2)CC[NH2+]C1 ZINC000423732119 240244085 /nfs/dbraw/zinc/24/40/85/240244085.db2.gz OTBSPDJTRSSWOY-KRWDZBQOSA-N 1 3 305.422 0.991 20 0 DCADHO N[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424081558 240253488 /nfs/dbraw/zinc/25/34/88/240253488.db2.gz VJWKZCIPXDBZEX-KGLIPLIRSA-N 1 3 314.393 0.632 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000571422986 291514285 /nfs/dbraw/zinc/51/42/85/291514285.db2.gz BGIBDGNAFOROHH-YOEHRIQHSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])Cc1ccccc1 ZINC000571702043 291528885 /nfs/dbraw/zinc/52/88/85/291528885.db2.gz AQSJNYYIXSDRCB-HNNXBMFYSA-N 1 3 320.437 0.083 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000574663803 291709213 /nfs/dbraw/zinc/70/92/13/291709213.db2.gz PNDUCDAMWDKOEC-UHFFFAOYSA-N 1 3 320.437 0.845 20 0 DCADHO COCCN1CC[C@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000297527594 532982977 /nfs/dbraw/zinc/98/29/77/532982977.db2.gz VSWRAEYJYXLHDX-ZDUSSCGKSA-N 1 3 324.429 0.287 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000339584903 253108783 /nfs/dbraw/zinc/10/87/83/253108783.db2.gz MXOJMADHVNTLFU-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339632676 253117837 /nfs/dbraw/zinc/11/78/37/253117837.db2.gz GQCOXIJZHYGDJY-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339632676 253117838 /nfs/dbraw/zinc/11/78/38/253117838.db2.gz GQCOXIJZHYGDJY-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000339753044 253138556 /nfs/dbraw/zinc/13/85/56/253138556.db2.gz JSOSXMRZMWKESD-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000340212829 253219174 /nfs/dbraw/zinc/21/91/74/253219174.db2.gz SVRKIZCJLFPOLQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340207062 253217186 /nfs/dbraw/zinc/21/71/86/253217186.db2.gz ALHVIWZHODRQNZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340207062 253217190 /nfs/dbraw/zinc/21/71/90/253217190.db2.gz ALHVIWZHODRQNZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000340822506 253310532 /nfs/dbraw/zinc/31/05/32/253310532.db2.gz LQZZOJRKDOAYNL-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000340822506 253310535 /nfs/dbraw/zinc/31/05/35/253310535.db2.gz LQZZOJRKDOAYNL-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](CCO)CC1)Cc1ccccc1 ZINC000340864590 253314884 /nfs/dbraw/zinc/31/48/84/253314884.db2.gz QCMDYVJCMSGJID-UHFFFAOYSA-N 1 3 319.449 0.939 20 0 DCADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000346144711 254015206 /nfs/dbraw/zinc/01/52/06/254015206.db2.gz AVEBIHDTWDKNGB-BZUAXINKSA-N 1 3 306.454 0.462 20 0 DCADHO C[C@@H]([NH3+])C1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000347222946 254140134 /nfs/dbraw/zinc/14/01/34/254140134.db2.gz UOVSJLZRHPGVHS-CQSZACIVSA-N 1 3 318.469 0.788 20 0 DCADHO COC(=O)c1cc(CNCCN2CCC([NH+](C)C)CC2)cn1C ZINC000348108346 254220612 /nfs/dbraw/zinc/22/06/12/254220612.db2.gz CEIKIWHIQFRTRC-UHFFFAOYSA-N 1 3 322.453 0.927 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)C1=CC[N@H+](C)CC1 ZINC000348760931 254252708 /nfs/dbraw/zinc/25/27/08/254252708.db2.gz HUWYFVBTMWHICE-CYBMUJFWSA-N 1 3 322.453 0.306 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000348760931 254252709 /nfs/dbraw/zinc/25/27/09/254252709.db2.gz HUWYFVBTMWHICE-CYBMUJFWSA-N 1 3 322.453 0.306 20 0 DCADHO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)C[C@H]12 ZINC000351479551 254337726 /nfs/dbraw/zinc/33/77/26/254337726.db2.gz RSZIHHMATBXFAI-VBNZEHGJSA-N 1 3 306.454 0.399 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000350619605 254319138 /nfs/dbraw/zinc/31/91/38/254319138.db2.gz RHHRETAGRWZLFC-CYBMUJFWSA-N 1 3 314.474 0.489 20 0 DCADHO CN(C)C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351535741 254344366 /nfs/dbraw/zinc/34/43/66/254344366.db2.gz MEGWHSJVUUFXJV-HUUCEWRRSA-N 1 3 318.421 0.274 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000352096412 254397760 /nfs/dbraw/zinc/39/77/60/254397760.db2.gz FRVGIWIACUAKDY-JSGCOSHPSA-N 1 3 314.474 0.569 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH2+]C)CC1=O ZINC000121057936 132151679 /nfs/dbraw/zinc/15/16/79/132151679.db2.gz QOIYLMPOLXSJPA-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000236765472 395899002 /nfs/dbraw/zinc/89/90/02/395899002.db2.gz UGKRCKLPYVNJMB-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000236882313 395899950 /nfs/dbraw/zinc/89/99/50/395899950.db2.gz KFGOOFRRILIJRH-DOTOQJQBSA-N 1 3 310.486 0.908 20 0 DCADHO CN1CCC(CNC(=O)[C@@H]2CNCCO2)([NH+]2CCCCC2)CC1 ZINC000237159167 395905557 /nfs/dbraw/zinc/90/55/57/395905557.db2.gz DQHVPYILUSVYQF-HNNXBMFYSA-N 1 3 324.469 0.041 20 0 DCADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000261747124 396062098 /nfs/dbraw/zinc/06/20/98/396062098.db2.gz PWIYSBVWXLSYON-INIZCTEOSA-N 1 3 304.394 0.785 20 0 DCADHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000261747124 396062100 /nfs/dbraw/zinc/06/21/00/396062100.db2.gz PWIYSBVWXLSYON-INIZCTEOSA-N 1 3 304.394 0.785 20 0 DCADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000261747124 396062103 /nfs/dbraw/zinc/06/21/03/396062103.db2.gz PWIYSBVWXLSYON-INIZCTEOSA-N 1 3 304.394 0.785 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262154076 396104899 /nfs/dbraw/zinc/10/48/99/396104899.db2.gz HWXUNOPUKCRFRR-HNNXBMFYSA-N 1 3 319.453 0.762 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000262294737 396119921 /nfs/dbraw/zinc/11/99/21/396119921.db2.gz NPXGRAHFKHEPGD-HNNXBMFYSA-N 1 3 312.458 0.419 20 0 DCADHO COCCOCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262305379 396120291 /nfs/dbraw/zinc/12/02/91/396120291.db2.gz PBTAHXHMSUGXCT-LSDHHAIUSA-N 1 3 313.442 0.230 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000261943830 396082506 /nfs/dbraw/zinc/08/25/06/396082506.db2.gz LWNZKDUKUGOSQT-ZDUSSCGKSA-N 1 3 309.385 0.991 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)CC1=O ZINC000073385312 396144769 /nfs/dbraw/zinc/14/47/69/396144769.db2.gz FBKLNDKYZJHPEN-HNNXBMFYSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000073700664 396149602 /nfs/dbraw/zinc/14/96/02/396149602.db2.gz GCYYNHPYHBFUOS-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1=O ZINC000073700664 396149603 /nfs/dbraw/zinc/14/96/03/396149603.db2.gz GCYYNHPYHBFUOS-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000263266760 396210160 /nfs/dbraw/zinc/21/01/60/396210160.db2.gz VLHJNJDBQRSHHY-IPYPFGDCSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000263266760 396210163 /nfs/dbraw/zinc/21/01/63/396210163.db2.gz VLHJNJDBQRSHHY-IPYPFGDCSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H]([NH3+])CCC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262754665 396179658 /nfs/dbraw/zinc/17/96/58/396179658.db2.gz HHDABHFDSTVWNP-ZDUSSCGKSA-N 1 3 320.437 0.722 20 0 DCADHO C[C@H](CNC(=O)[C@](C)(N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000262762855 396179696 /nfs/dbraw/zinc/17/96/96/396179696.db2.gz AMGYIBSZSXRJOT-CRAIPNDOSA-N 1 3 318.465 0.860 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873062 396211894 /nfs/dbraw/zinc/21/18/94/396211894.db2.gz CYVBSYHHTOHZMT-KRWDZBQOSA-N 1 3 316.449 0.802 20 0 DCADHO COC(C)(C)[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000340475845 292077493 /nfs/dbraw/zinc/07/74/93/292077493.db2.gz OTPNRYPKIORWBL-HNNXBMFYSA-N 1 3 301.475 0.780 20 0 DCADHO CC(=O)N1CC(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000188344038 396381885 /nfs/dbraw/zinc/38/18/85/396381885.db2.gz RYEBBERNTJJXQR-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1C(=O)NCCCN1CCCCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189272966 396392816 /nfs/dbraw/zinc/39/28/16/396392816.db2.gz FWVADXFMZVCORW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C(=O)NCCCN1CCCCC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189272966 396392820 /nfs/dbraw/zinc/39/28/20/396392820.db2.gz FWVADXFMZVCORW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000288084505 396441365 /nfs/dbraw/zinc/44/13/65/396441365.db2.gz WANGJLGKEMTUON-ZDUSSCGKSA-N 1 3 323.441 0.771 20 0 DCADHO CN(C)CCN(C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C1CC1 ZINC000580891542 396508823 /nfs/dbraw/zinc/50/88/23/396508823.db2.gz QAXDVKRPJLNJAI-OAHLLOKOSA-N 1 3 305.426 0.974 20 0 DCADHO Cn1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000290342338 396466714 /nfs/dbraw/zinc/46/67/14/396466714.db2.gz FMDSUUDUCVQQCA-OCCSQVGLSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000290342338 396466716 /nfs/dbraw/zinc/46/67/16/396466716.db2.gz FMDSUUDUCVQQCA-OCCSQVGLSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000290342338 396466718 /nfs/dbraw/zinc/46/67/18/396466718.db2.gz FMDSUUDUCVQQCA-OCCSQVGLSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000290342338 396466719 /nfs/dbraw/zinc/46/67/19/396466719.db2.gz FMDSUUDUCVQQCA-OCCSQVGLSA-N 1 3 306.410 0.000 20 0 DCADHO CN(C)CCn1cc(NC(=O)C23CCC[NH+]2CCC3)ccc1=O ZINC000290999807 396477016 /nfs/dbraw/zinc/47/70/16/396477016.db2.gz GQCWCEFNRSJZFB-UHFFFAOYSA-N 1 3 318.421 0.977 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000519695442 396525074 /nfs/dbraw/zinc/52/50/74/396525074.db2.gz WHRKNPFTSNHMKO-JKSUJKDBSA-N 1 3 320.437 0.967 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)Cn1cccn1 ZINC000581305436 396542122 /nfs/dbraw/zinc/54/21/22/396542122.db2.gz INBLOGJDPKPRJS-MRXNPFEDSA-N 1 3 318.421 0.974 20 0 DCADHO [NH3+]CCOc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000372905371 396553319 /nfs/dbraw/zinc/55/33/19/396553319.db2.gz WGXNDKWZRJJFJJ-UHFFFAOYSA-N 1 3 301.350 0.645 20 0 DCADHO CCN1CCN(CCCC[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000595141483 396555776 /nfs/dbraw/zinc/55/57/76/396555776.db2.gz NEQJTCFRKLJPOZ-INIZCTEOSA-N 1 3 320.485 0.932 20 0 DCADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[C@H](N2CCCC2)C1 ZINC000581664159 396573280 /nfs/dbraw/zinc/57/32/80/396573280.db2.gz AXPCFUSGKJNTAS-KGLIPLIRSA-N 1 3 318.425 0.340 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC000561308336 396638656 /nfs/dbraw/zinc/63/86/56/396638656.db2.gz OHJINBYMSICVEB-FFHGMXDLSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC000561308336 396638658 /nfs/dbraw/zinc/63/86/58/396638658.db2.gz OHJINBYMSICVEB-FFHGMXDLSA-N 1 3 322.453 0.138 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000595895353 396677495 /nfs/dbraw/zinc/67/74/95/396677495.db2.gz JTXFZTIBOUJPDQ-CABCVRRESA-N 1 3 323.437 0.472 20 0 DCADHO C[N@H+]1CC=C(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000375064331 396709144 /nfs/dbraw/zinc/70/91/44/396709144.db2.gz YIOFIAKPIZQGDA-LSDHHAIUSA-N 1 3 308.426 0.411 20 0 DCADHO C[N@@H+]1CC=C(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000375064331 396709145 /nfs/dbraw/zinc/70/91/45/396709145.db2.gz YIOFIAKPIZQGDA-LSDHHAIUSA-N 1 3 308.426 0.411 20 0 DCADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](O)COC)CC1 ZINC000304968151 396733712 /nfs/dbraw/zinc/73/37/12/396733712.db2.gz RKYJZADGXQYFQJ-INIZCTEOSA-N 1 3 307.438 0.925 20 0 DCADHO COCCNCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309653705 396757977 /nfs/dbraw/zinc/75/79/77/396757977.db2.gz AUVXNBGMGKFYKK-MRXNPFEDSA-N 1 3 305.422 0.861 20 0 DCADHO COCCNCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309653705 396757985 /nfs/dbraw/zinc/75/79/85/396757985.db2.gz AUVXNBGMGKFYKK-MRXNPFEDSA-N 1 3 305.422 0.861 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000375976895 396854139 /nfs/dbraw/zinc/85/41/39/396854139.db2.gz WEYUGQHBQSQAGO-JKSUJKDBSA-N 1 3 302.422 0.063 20 0 DCADHO CCN1CC[C@@H](N(C)C(=O)c2cn(CCCC[NH3+])nn2)C[C@@H]1C ZINC000564800127 396870846 /nfs/dbraw/zinc/87/08/46/396870846.db2.gz CAAQKFMOVCEMML-UONOGXRCSA-N 1 3 322.457 0.962 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332903627 396901085 /nfs/dbraw/zinc/90/10/85/396901085.db2.gz QFVQYNWVEXSUAU-UONOGXRCSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332903627 396901092 /nfs/dbraw/zinc/90/10/92/396901092.db2.gz QFVQYNWVEXSUAU-UONOGXRCSA-N 1 3 310.442 0.369 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)N1CCN(C)CC1 ZINC000629965313 396898974 /nfs/dbraw/zinc/89/89/74/396898974.db2.gz SOLCJDARKYNOIJ-MRXNPFEDSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)N1CCN(C)CC1 ZINC000629965313 396898978 /nfs/dbraw/zinc/89/89/78/396898978.db2.gz SOLCJDARKYNOIJ-MRXNPFEDSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)N1CCN(C)CC1 ZINC000629965313 396898982 /nfs/dbraw/zinc/89/89/82/396898982.db2.gz SOLCJDARKYNOIJ-MRXNPFEDSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CN1C1CC1 ZINC000564942970 396905733 /nfs/dbraw/zinc/90/57/33/396905733.db2.gz UMJYWZXCGSVQHD-UPJWGTAASA-N 1 3 318.425 0.385 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CN1C1CC1 ZINC000564942965 396906249 /nfs/dbraw/zinc/90/62/49/396906249.db2.gz UMJYWZXCGSVQHD-AGIUHOORSA-N 1 3 318.425 0.385 20 0 DCADHO CC(C)(C)[C@@H](CO)NCC1(C[NH2+][C@H](CO)C(C)(C)C)COC1 ZINC000571863280 396994840 /nfs/dbraw/zinc/99/48/40/396994840.db2.gz KNTSHPNEDRGEKJ-ZIAGYGMSSA-N 1 3 316.486 0.996 20 0 DCADHO COCC[NH+]1CCC(N[C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000344267184 397003115 /nfs/dbraw/zinc/00/31/15/397003115.db2.gz VORMYUQDEGHTIX-ZBFHGGJFSA-N 1 3 308.426 0.951 20 0 DCADHO C[C@H]1CN(CCN2CCCC[C@H]2CNC(=O)CC[NH3+])CCO1 ZINC000572001306 397010887 /nfs/dbraw/zinc/01/08/87/397010887.db2.gz FVBPJQRQMQAUGY-GJZGRUSLSA-N 1 3 312.458 0.027 20 0 DCADHO CCC[C@@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+](C)C ZINC000571640677 396972218 /nfs/dbraw/zinc/97/22/18/396972218.db2.gz NGIFWKSKKVCHCU-KBPBESRZSA-N 1 3 308.430 0.631 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N(C)C1CC1 ZINC000340791570 396972436 /nfs/dbraw/zinc/97/24/36/396972436.db2.gz DXZZYTBUFPMDPE-VHDGCEQUSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N(C)C1CC1 ZINC000340791570 396972443 /nfs/dbraw/zinc/97/24/43/396972443.db2.gz DXZZYTBUFPMDPE-VHDGCEQUSA-N 1 3 322.453 0.328 20 0 DCADHO CN1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H](CN)C1 ZINC000572705785 397085249 /nfs/dbraw/zinc/08/52/49/397085249.db2.gz JWQVZQIGVNDPIC-OAHLLOKOSA-N 1 3 309.458 0.145 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000612549304 397090723 /nfs/dbraw/zinc/09/07/23/397090723.db2.gz XEGIOFFBJGWSLB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000612549304 397090730 /nfs/dbraw/zinc/09/07/30/397090730.db2.gz XEGIOFFBJGWSLB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000612547913 397092266 /nfs/dbraw/zinc/09/22/66/397092266.db2.gz IBLBOVXWDSOEJA-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CCN2C1=O ZINC000573138478 397137688 /nfs/dbraw/zinc/13/76/88/397137688.db2.gz MGPAAAGVLDUNHL-AAVRWANBSA-N 1 3 308.426 0.055 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000573253695 397151303 /nfs/dbraw/zinc/15/13/03/397151303.db2.gz AJQTYGPGWXDJPX-UHFFFAOYSA-N 1 3 303.410 0.901 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CCO1 ZINC000573429567 397166626 /nfs/dbraw/zinc/16/66/26/397166626.db2.gz LZNUEWAMKVACPF-UKRRQHHQSA-N 1 3 304.394 0.243 20 0 DCADHO COCCNCCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000572959461 397116016 /nfs/dbraw/zinc/11/60/16/397116016.db2.gz PIEATYYSWXWXOX-CQSZACIVSA-N 1 3 301.431 0.132 20 0 DCADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000573821433 397210279 /nfs/dbraw/zinc/21/02/79/397210279.db2.gz HKYZITGTXQLBND-JYJNAYRXSA-N 1 3 323.485 0.263 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CC1 ZINC000573958161 397223049 /nfs/dbraw/zinc/22/30/49/397223049.db2.gz NYTSINMAJBTVTC-OFQRWUPVSA-N 1 3 309.454 0.680 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CC1 ZINC000573958162 397223399 /nfs/dbraw/zinc/22/33/99/397223399.db2.gz NYTSINMAJBTVTC-SQWLQELKSA-N 1 3 309.454 0.680 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000574202300 397244355 /nfs/dbraw/zinc/24/43/55/397244355.db2.gz KDSYFNJXCOYMID-CJNGLKHVSA-N 1 3 310.442 0.091 20 0 DCADHO N[C@@H]1C[C@@H]2CN(C(=O)CC3(C[NH3+])CCCCC3)CCN2C1=O ZINC000574652508 397288467 /nfs/dbraw/zinc/28/84/67/397288467.db2.gz QATWPFXEMGYZEF-CHWSQXEVSA-N 1 3 308.426 0.056 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000577833744 397365005 /nfs/dbraw/zinc/36/50/05/397365005.db2.gz BJWDUWOXIIKJHG-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000577859181 397367105 /nfs/dbraw/zinc/36/71/05/397367105.db2.gz PACYIPMFLGYNQL-WCXIOVBPSA-N 1 3 313.486 0.778 20 0 DCADHO C[C@H](C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CN1CCCC1 ZINC000577859181 397367108 /nfs/dbraw/zinc/36/71/08/397367108.db2.gz PACYIPMFLGYNQL-WCXIOVBPSA-N 1 3 313.486 0.778 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419768651 397381552 /nfs/dbraw/zinc/38/15/52/397381552.db2.gz CYEIUNNANSNPOK-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO COC(=O)c1cc(CNCCCC[NH+]2CCN(C)CC2)on1 ZINC000602508603 397425690 /nfs/dbraw/zinc/42/56/90/397425690.db2.gz CMSJMCLMEWDLSH-UHFFFAOYSA-N 1 3 310.398 0.578 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H](CN)C1 ZINC000578489134 397442458 /nfs/dbraw/zinc/44/24/58/397442458.db2.gz GVIVBVDNBOAZNN-HIFRSBDPSA-N 1 3 309.458 0.288 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H](CN)C1 ZINC000578489134 397442462 /nfs/dbraw/zinc/44/24/62/397442462.db2.gz GVIVBVDNBOAZNN-HIFRSBDPSA-N 1 3 309.458 0.288 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000471634122 397448077 /nfs/dbraw/zinc/44/80/77/397448077.db2.gz DMKPUFQABBGUMD-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578141472 397396306 /nfs/dbraw/zinc/39/63/06/397396306.db2.gz LPQKVOUSFMOUIO-UONOGXRCSA-N 1 3 305.426 0.753 20 0 DCADHO NC[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C(F)(F)F ZINC000594450825 397554201 /nfs/dbraw/zinc/55/42/01/397554201.db2.gz BEYMFFASYKGXEE-VXNVDRBHSA-N 1 3 305.304 0.339 20 0 DCADHO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCCCN3C)CC2)CC1 ZINC000606369091 397679688 /nfs/dbraw/zinc/67/96/88/397679688.db2.gz VMVYWXSUOCAZNS-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000333894851 286094007 /nfs/dbraw/zinc/09/40/07/286094007.db2.gz YWEKQVKYQBUHTI-VGWMRTNUSA-N 1 3 324.469 0.879 20 0 DCADHO COCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051674799 158014903 /nfs/dbraw/zinc/01/49/03/158014903.db2.gz ATYUDZBBCRPKBR-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CCN(C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077574489 158067639 /nfs/dbraw/zinc/06/76/39/158067639.db2.gz ODZSRTCCFNHWQJ-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000121709461 158214622 /nfs/dbraw/zinc/21/46/22/158214622.db2.gz DPLQCAUNIWVKTR-ZFWWWQNUSA-N 1 3 300.447 0.330 20 0 DCADHO CN(c1ccccc1CNC(CO)CO)C1CC[NH+](C)CC1 ZINC000151006601 158348703 /nfs/dbraw/zinc/34/87/03/158348703.db2.gz UXIWPXRAXMUKQA-UHFFFAOYSA-N 1 3 307.438 0.660 20 0 DCADHO C[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@H](N)c1ccccc1 ZINC000375958732 159829443 /nfs/dbraw/zinc/82/94/43/159829443.db2.gz RGGJYFHPGRXJIR-XIRDDKMYSA-N 1 3 316.449 0.829 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246390997 287082681 /nfs/dbraw/zinc/08/26/81/287082681.db2.gz SKJHCLWBSFFQFB-HUUCEWRRSA-N 1 3 314.474 0.936 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246390997 287082684 /nfs/dbraw/zinc/08/26/84/287082684.db2.gz SKJHCLWBSFFQFB-HUUCEWRRSA-N 1 3 314.474 0.936 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000262553260 287128389 /nfs/dbraw/zinc/12/83/89/287128389.db2.gz UGKRCKLPYVNJMB-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418353055 287245663 /nfs/dbraw/zinc/24/56/63/287245663.db2.gz VLCWCBUJRWAFGP-UONOGXRCSA-N 1 3 300.447 0.594 20 0 DCADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CC[NH2+]C1 ZINC000418394661 287247602 /nfs/dbraw/zinc/24/76/02/287247602.db2.gz YCNBEGIRLZWDSS-RDJZCZTQSA-N 1 3 318.421 0.285 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418539272 287250143 /nfs/dbraw/zinc/25/01/43/287250143.db2.gz FNVJCMZXEPOGHG-KBPBESRZSA-N 1 3 311.474 0.534 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419020445 287261216 /nfs/dbraw/zinc/26/12/16/287261216.db2.gz FUJURVRFMNJUNX-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCC[NH3+] ZINC000419020850 287261543 /nfs/dbraw/zinc/26/15/43/287261543.db2.gz GFBJKQXWUOCSIJ-MCIONIFRSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419022709 287262478 /nfs/dbraw/zinc/26/24/78/287262478.db2.gz IMLQSHAXCMYRNJ-YIYPIFLZSA-N 1 3 310.442 0.029 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419149582 287269709 /nfs/dbraw/zinc/26/97/09/287269709.db2.gz FESZGKYBIQIMGT-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(CC)C(=O)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420295778 287286692 /nfs/dbraw/zinc/28/66/92/287286692.db2.gz CSAPWYVNNOFPKG-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)c1nccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000420308582 287288814 /nfs/dbraw/zinc/28/88/14/287288814.db2.gz CVFROTYAJYRXTN-CQSZACIVSA-N 1 3 304.442 0.664 20 0 DCADHO CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335534 287291249 /nfs/dbraw/zinc/29/12/49/287291249.db2.gz HYMJRLVHOUFCDM-CHWSQXEVSA-N 1 3 310.442 0.932 20 0 DCADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341434 287292325 /nfs/dbraw/zinc/29/23/25/287292325.db2.gz OJZIBTUJQBTNTB-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000331624680 415157915 /nfs/dbraw/zinc/15/79/15/415157915.db2.gz YHFGXARXTUTPPI-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331575864 415136152 /nfs/dbraw/zinc/13/61/52/415136152.db2.gz HPIMLWJGQXFNTI-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000332038815 415215232 /nfs/dbraw/zinc/21/52/32/415215232.db2.gz TXBKXMCYCQOWHY-ILXRZTDVSA-N 1 3 312.458 0.866 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000332111181 415252429 /nfs/dbraw/zinc/25/24/29/415252429.db2.gz SWOTYTCYAHOBPO-BYNSBNAKSA-N 1 3 322.453 0.315 20 0 DCADHO C[NH+](C)C/C=C/C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000273086279 415312474 /nfs/dbraw/zinc/31/24/74/415312474.db2.gz INXBMPKPYZSAJY-ZGRWHYIRSA-N 1 3 317.433 0.987 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000343208520 415502128 /nfs/dbraw/zinc/50/21/28/415502128.db2.gz DBPAQZZHTMHGDN-HOTGVXAUSA-N 1 3 306.454 0.463 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000353455937 415549112 /nfs/dbraw/zinc/54/91/12/415549112.db2.gz YYQIGHXTXMLDAE-MNOVXSKESA-N 1 3 311.348 0.835 20 0 DCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000333134270 415565790 /nfs/dbraw/zinc/56/57/90/415565790.db2.gz KBAKBNLZVQZEGB-ARFHVFGLSA-N 1 3 308.470 0.742 20 0 DCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H]1CCCN(C(=O)CN)C1 ZINC000333134270 415565795 /nfs/dbraw/zinc/56/57/95/415565795.db2.gz KBAKBNLZVQZEGB-ARFHVFGLSA-N 1 3 308.470 0.742 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333143516 415570405 /nfs/dbraw/zinc/57/04/05/415570405.db2.gz DJRPRGRQLAFKPU-CQSZACIVSA-N 1 3 310.442 0.348 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333143516 415570407 /nfs/dbraw/zinc/57/04/07/415570407.db2.gz DJRPRGRQLAFKPU-CQSZACIVSA-N 1 3 310.442 0.348 20 0 DCADHO CCCC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353639144 415612612 /nfs/dbraw/zinc/61/26/12/415612612.db2.gz MYEQVWOHCXKYPE-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CNCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333483642 415665544 /nfs/dbraw/zinc/66/55/44/415665544.db2.gz BRQROLKSJDCBSS-SQWLQELKSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CNCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333483642 415665546 /nfs/dbraw/zinc/66/55/46/415665546.db2.gz BRQROLKSJDCBSS-SQWLQELKSA-N 1 3 324.469 0.927 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C[C@H]2N)cn1 ZINC000333613257 415696329 /nfs/dbraw/zinc/69/63/29/415696329.db2.gz SIHGPGFVUGONBC-FAAHXZRKSA-N 1 3 320.441 0.374 20 0 DCADHO C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)N(C)C1CC1 ZINC000111856660 415697512 /nfs/dbraw/zinc/69/75/12/415697512.db2.gz RVXWYQIXQFKBHJ-ZDUSSCGKSA-N 1 3 312.458 0.473 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000333635035 415700903 /nfs/dbraw/zinc/70/09/03/415700903.db2.gz HGHQLYXDHRGHOL-HNNXBMFYSA-N 1 3 310.442 0.635 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000333635035 415700911 /nfs/dbraw/zinc/70/09/11/415700911.db2.gz HGHQLYXDHRGHOL-HNNXBMFYSA-N 1 3 310.442 0.635 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000289751689 415714382 /nfs/dbraw/zinc/71/43/82/415714382.db2.gz HPEPGLNDAOEZHD-HNNXBMFYSA-N 1 3 321.421 0.905 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000289751689 415714387 /nfs/dbraw/zinc/71/43/87/415714387.db2.gz HPEPGLNDAOEZHD-HNNXBMFYSA-N 1 3 321.421 0.905 20 0 DCADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](CN)OC)cc1 ZINC000290113587 415762864 /nfs/dbraw/zinc/76/28/64/415762864.db2.gz YQKLTHDYXZFTNY-INIZCTEOSA-N 1 3 323.437 0.997 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CNCCO2)CCCCCC1 ZINC000333908380 415765651 /nfs/dbraw/zinc/76/56/51/415765651.db2.gz KNYBOLYOJVMWMG-AWEZNQCLSA-N 1 3 312.458 0.929 20 0 DCADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000343923973 415785900 /nfs/dbraw/zinc/78/59/00/415785900.db2.gz GNHQHSMCIQOHMH-KRWDZBQOSA-N 1 3 320.481 0.900 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@@H](O)COC2CCOCC2)CC1 ZINC000127527274 415886654 /nfs/dbraw/zinc/88/66/54/415886654.db2.gz HCQJOWNWEOMBRG-OAHLLOKOSA-N 1 3 300.443 0.959 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000344497815 415929742 /nfs/dbraw/zinc/92/97/42/415929742.db2.gz RMBFMIHCKZRPIS-DLBZAZTESA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000344497815 415929749 /nfs/dbraw/zinc/92/97/49/415929749.db2.gz RMBFMIHCKZRPIS-DLBZAZTESA-N 1 3 322.497 0.861 20 0 DCADHO C[NH+]1CCC(CCNC(=O)NCCNc2ccncc2)CC1 ZINC000356432056 415918932 /nfs/dbraw/zinc/91/89/32/415918932.db2.gz QBXDXNJXDBFMCA-UHFFFAOYSA-N 1 3 305.426 0.947 20 0 DCADHO C[C@@]1(O)CCCN(CCOCC[N@@H+]2CCC[C@@](C)(O)C2)C1 ZINC000124958125 415856871 /nfs/dbraw/zinc/85/68/71/415856871.db2.gz VZSLRLAQZGKDKB-HZPDHXFCSA-N 1 3 300.443 0.697 20 0 DCADHO C[C@@]1(O)CCCN(CCOCC[N@H+]2CCC[C@@](C)(O)C2)C1 ZINC000124958125 415856874 /nfs/dbraw/zinc/85/68/74/415856874.db2.gz VZSLRLAQZGKDKB-HZPDHXFCSA-N 1 3 300.443 0.697 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164271664 416016983 /nfs/dbraw/zinc/01/69/83/416016983.db2.gz GBWWOCXJVDPZQF-CVEARBPZSA-N 1 3 318.469 0.528 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164271664 416016986 /nfs/dbraw/zinc/01/69/86/416016986.db2.gz GBWWOCXJVDPZQF-CVEARBPZSA-N 1 3 318.469 0.528 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000177870272 416153192 /nfs/dbraw/zinc/15/31/92/416153192.db2.gz BUJBEPZMFQDQSP-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000177870272 416153196 /nfs/dbraw/zinc/15/31/96/416153196.db2.gz BUJBEPZMFQDQSP-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO OCC1CCN(CCOCC[NH+]2CCC(CO)CC2)CC1 ZINC000178595028 416166765 /nfs/dbraw/zinc/16/67/65/416166765.db2.gz YYMGLKSLVWEFQG-UHFFFAOYSA-N 1 3 300.443 0.412 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@H]1CN ZINC000418990415 287325582 /nfs/dbraw/zinc/32/55/82/287325582.db2.gz VRWPCCZKFSSZFD-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H]1CN ZINC000418990415 287325584 /nfs/dbraw/zinc/32/55/84/287325584.db2.gz VRWPCCZKFSSZFD-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C(=O)C[C@H]1CCC[NH2+]1)C1CCN(CCn2cccn2)CC1 ZINC000178886259 416175429 /nfs/dbraw/zinc/17/54/29/416175429.db2.gz ASAWOGVKQBKBMH-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO COCC[N@H+](C)CCCC1CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000340286291 416182694 /nfs/dbraw/zinc/18/26/94/416182694.db2.gz HMNKNXLQQPBFNF-CVEARBPZSA-N 1 3 300.443 0.817 20 0 DCADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000340286291 416182698 /nfs/dbraw/zinc/18/26/98/416182698.db2.gz HMNKNXLQQPBFNF-CVEARBPZSA-N 1 3 300.443 0.817 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339635433 416160831 /nfs/dbraw/zinc/16/08/31/416160831.db2.gz XYTFWUYYNLRZIN-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358686137 416268471 /nfs/dbraw/zinc/26/84/71/416268471.db2.gz UMKPFLIOOZYJTB-DOTOQJQBSA-N 1 3 320.437 0.655 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358686137 416268478 /nfs/dbraw/zinc/26/84/78/416268478.db2.gz UMKPFLIOOZYJTB-DOTOQJQBSA-N 1 3 320.437 0.655 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000359258463 416318258 /nfs/dbraw/zinc/31/82/58/416318258.db2.gz DRTSZVBHRQIBBD-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000359258463 416318260 /nfs/dbraw/zinc/31/82/60/416318260.db2.gz DRTSZVBHRQIBBD-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1cc(NC(=O)C(=O)N(C)C2C[NH2+]C2)ccc1CN(C)C ZINC000415739152 416352512 /nfs/dbraw/zinc/35/25/12/416352512.db2.gz UQJIENKXLLRSLI-UHFFFAOYSA-N 1 3 304.394 0.425 20 0 DCADHO Cc1cc(NC(=O)C(=O)N(C)C2CNC2)ccc1C[NH+](C)C ZINC000415739152 416352514 /nfs/dbraw/zinc/35/25/14/416352514.db2.gz UQJIENKXLLRSLI-UHFFFAOYSA-N 1 3 304.394 0.425 20 0 DCADHO CCN1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000331513659 416322916 /nfs/dbraw/zinc/32/29/16/416322916.db2.gz IOVYAIWKEDZJBO-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000331513659 416322918 /nfs/dbraw/zinc/32/29/18/416322918.db2.gz IOVYAIWKEDZJBO-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419844092 416414284 /nfs/dbraw/zinc/41/42/84/416414284.db2.gz KSXXSSWNYVEBSV-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000419954262 416415584 /nfs/dbraw/zinc/41/55/84/416415584.db2.gz LYUIAGHVJBCVNQ-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000419954364 416415862 /nfs/dbraw/zinc/41/58/62/416415862.db2.gz MEWJQSAFTGFWDF-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000360169292 416376723 /nfs/dbraw/zinc/37/67/23/416376723.db2.gz CWSPIYMNDKAVIV-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000360169292 416376724 /nfs/dbraw/zinc/37/67/24/416376724.db2.gz CWSPIYMNDKAVIV-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360172762 416377092 /nfs/dbraw/zinc/37/70/92/416377092.db2.gz VCBVCYPBWRWKBP-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360172762 416377094 /nfs/dbraw/zinc/37/70/94/416377094.db2.gz VCBVCYPBWRWKBP-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000416817118 416377642 /nfs/dbraw/zinc/37/76/42/416377642.db2.gz YHIYJCJZVCNZJP-CABCVRRESA-N 1 3 306.410 0.577 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCNc1ccncc1 ZINC000418746914 416389311 /nfs/dbraw/zinc/38/93/11/416389311.db2.gz YIEHEBLAKMOVRT-DOOHLRMFSA-N 1 3 303.410 0.731 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H]1CN ZINC000418832163 416391707 /nfs/dbraw/zinc/39/17/07/416391707.db2.gz LPMUQRFYNSQKOE-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419034395 416395750 /nfs/dbraw/zinc/39/57/50/416395750.db2.gz ZLRVOIZXOXNMQZ-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCSC1 ZINC000360656162 416402087 /nfs/dbraw/zinc/40/20/87/416402087.db2.gz GIQNYEPVFKXBAM-WFASDCNBSA-N 1 3 312.483 0.960 20 0 DCADHO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C1=CCN(C)CC1 ZINC000419623053 416404241 /nfs/dbraw/zinc/40/42/41/416404241.db2.gz HPBLROLFGKRLIB-DOMZBBRYSA-N 1 3 322.453 0.387 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419756361 416408708 /nfs/dbraw/zinc/40/87/08/416408708.db2.gz AUJZGJTYDCRADI-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419754791 416409146 /nfs/dbraw/zinc/40/91/46/416409146.db2.gz AQSQAERUOKDGMC-OLZOCXBDSA-N 1 3 312.458 0.323 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419782113 416410821 /nfs/dbraw/zinc/41/08/21/416410821.db2.gz TWKHQMQKBWRXBQ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419785706 416411228 /nfs/dbraw/zinc/41/12/28/416411228.db2.gz ZEIUKVHYXUXDAC-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)C1 ZINC000423227841 416480065 /nfs/dbraw/zinc/48/00/65/416480065.db2.gz XGKCOKNVQHURGO-CABCVRRESA-N 1 3 322.453 0.413 20 0 DCADHO O=C(N1CCC(OCC[NH+]2CCCC2)CC1)[C@@]1(F)CCNC1 ZINC000361719141 416483947 /nfs/dbraw/zinc/48/39/47/416483947.db2.gz SKFBHLTXHKYQNE-MRXNPFEDSA-N 1 3 313.417 0.791 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)N(C)C1CC1 ZINC000422308911 416425718 /nfs/dbraw/zinc/42/57/18/416425718.db2.gz RNBVAHWOQFLCES-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N(C)C1CC1 ZINC000422308911 416425720 /nfs/dbraw/zinc/42/57/20/416425720.db2.gz RNBVAHWOQFLCES-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000422326495 416425999 /nfs/dbraw/zinc/42/59/99/416425999.db2.gz AYMFPRIFQUELAJ-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000422485828 416434287 /nfs/dbraw/zinc/43/42/87/416434287.db2.gz FOBYAYKEPJXXQH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000422485828 416434289 /nfs/dbraw/zinc/43/42/89/416434289.db2.gz FOBYAYKEPJXXQH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H]1CCOC1 ZINC000361483065 416440742 /nfs/dbraw/zinc/44/07/42/416440742.db2.gz BVHHIQNJTOCUMM-IRXDYDNUSA-N 1 3 313.486 0.781 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000422977272 416455583 /nfs/dbraw/zinc/45/55/83/416455583.db2.gz WOODTORWTWZAOY-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000460077207 416550980 /nfs/dbraw/zinc/55/09/80/416550980.db2.gz FFDXBJZODYPSPO-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000436489590 416560354 /nfs/dbraw/zinc/56/03/54/416560354.db2.gz QVPZPPPGBHBOAG-CYBMUJFWSA-N 1 3 308.430 0.860 20 0 DCADHO COCCN(CCN(C)C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000584114276 416501253 /nfs/dbraw/zinc/50/12/53/416501253.db2.gz TYMHYNSVPJNZQL-LBPRGKRZSA-N 1 3 309.414 0.137 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423420082 416507960 /nfs/dbraw/zinc/50/79/60/416507960.db2.gz ATAIRGXTKFGHQX-LSDHHAIUSA-N 1 3 310.486 0.907 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000535011523 416512410 /nfs/dbraw/zinc/51/24/10/416512410.db2.gz BQRBBEGWHVAOSM-UHFFFAOYSA-N 1 3 320.397 0.000 20 0 DCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423771591 416564469 /nfs/dbraw/zinc/56/44/69/416564469.db2.gz JPFJCXBQWFUOHH-JSGCOSHPSA-N 1 3 300.447 0.323 20 0 DCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423771591 416564472 /nfs/dbraw/zinc/56/44/72/416564472.db2.gz JPFJCXBQWFUOHH-JSGCOSHPSA-N 1 3 300.447 0.323 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2CNCCO2)CC[C@H]1c1ccc(F)cc1 ZINC000424041353 416609082 /nfs/dbraw/zinc/60/90/82/416609082.db2.gz IDYSVFPMPQUIIR-HRCADAONSA-N 1 3 321.396 0.847 20 0 DCADHO C[NH+]1CCC(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000364153417 416581122 /nfs/dbraw/zinc/58/11/22/416581122.db2.gz DRVREBLGQKHAPL-HUUCEWRRSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000542818842 416631693 /nfs/dbraw/zinc/63/16/93/416631693.db2.gz CRJQCSTWXAXUTF-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000424455143 416648551 /nfs/dbraw/zinc/64/85/51/416648551.db2.gz MVWUPUUMOCSPMA-ZDUSSCGKSA-N 1 3 318.421 0.802 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424454978 416648644 /nfs/dbraw/zinc/64/86/44/416648644.db2.gz QVBKVXZZCJWVOQ-AEGPPILISA-N 1 3 322.457 0.587 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424454978 416648648 /nfs/dbraw/zinc/64/86/48/416648648.db2.gz QVBKVXZZCJWVOQ-AEGPPILISA-N 1 3 322.457 0.587 20 0 DCADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000514602257 416663709 /nfs/dbraw/zinc/66/37/09/416663709.db2.gz KBBPNGQJXMUOIL-YESZJQIVSA-N 1 3 314.433 0.971 20 0 DCADHO C[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000556904226 416719214 /nfs/dbraw/zinc/71/92/14/416719214.db2.gz UAMSBQGDZQQCRL-RFQIPJPRSA-N 1 3 312.458 0.430 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444264961 416824567 /nfs/dbraw/zinc/82/45/67/416824567.db2.gz KMIXGJHBZZDDSJ-DOTOQJQBSA-N 1 3 308.470 0.520 20 0 DCADHO C[C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CCN(C2CCC2)C1 ZINC000517719953 416817607 /nfs/dbraw/zinc/81/76/07/416817607.db2.gz LGGFMJUFSCKSGC-OAHLLOKOSA-N 1 3 323.485 0.407 20 0 DCADHO C[C@H]1C[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)CCN1C ZINC000632029396 416875337 /nfs/dbraw/zinc/87/53/37/416875337.db2.gz CYLZZHOCWVYBKY-KBPBESRZSA-N 1 3 303.472 0.874 20 0 DCADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]1 ZINC000444270747 416826785 /nfs/dbraw/zinc/82/67/85/416826785.db2.gz WDZPDYQFQNLVMB-QGZVFWFLSA-N 1 3 316.449 0.672 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000518346572 416849137 /nfs/dbraw/zinc/84/91/37/416849137.db2.gz TYGLADUCJXOPOY-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631992566 416853479 /nfs/dbraw/zinc/85/34/79/416853479.db2.gz DGKKJGIDGXHYBT-LSDHHAIUSA-N 1 3 315.483 0.876 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000519396032 416904732 /nfs/dbraw/zinc/90/47/32/416904732.db2.gz UDPSUKNPHBBVIO-MPZWGZMNSA-N 1 3 307.438 0.587 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000519396031 416904790 /nfs/dbraw/zinc/90/47/90/416904790.db2.gz UDPSUKNPHBBVIO-KAHPBISDSA-N 1 3 307.438 0.587 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000632145087 416928773 /nfs/dbraw/zinc/92/87/73/416928773.db2.gz VJKPXTCYXBLGJL-HNNXBMFYSA-N 1 3 317.499 0.932 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](CCCc2cncn2C)CC1 ZINC000565155393 416928918 /nfs/dbraw/zinc/92/89/18/416928918.db2.gz DHEDKLPFKCLSTI-UHFFFAOYSA-N 1 3 321.469 0.743 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000520771976 416972327 /nfs/dbraw/zinc/97/23/27/416972327.db2.gz LGIOINQCVWSQIG-LSDHHAIUSA-N 1 3 309.458 0.206 20 0 DCADHO CC(C)[C@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)N1CCN(C)CC1 ZINC000520797328 416975975 /nfs/dbraw/zinc/97/59/75/416975975.db2.gz DDVKEXKFJAAJIR-SJORKVTESA-N 1 3 312.502 0.303 20 0 DCADHO CC(C)[C@H](CNC[C@@H](O)C[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000520797328 416975983 /nfs/dbraw/zinc/97/59/83/416975983.db2.gz DDVKEXKFJAAJIR-SJORKVTESA-N 1 3 312.502 0.303 20 0 DCADHO CC(C)[C@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000520797328 416975986 /nfs/dbraw/zinc/97/59/86/416975986.db2.gz DDVKEXKFJAAJIR-SJORKVTESA-N 1 3 312.502 0.303 20 0 DCADHO C[NH+](C)CCOCCNCc1ccc(S(N)(=O)=O)cc1 ZINC000641747160 416993183 /nfs/dbraw/zinc/99/31/83/416993183.db2.gz FKBFYWQCONZJPJ-UHFFFAOYSA-N 1 3 301.412 0.002 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000447439038 417000861 /nfs/dbraw/zinc/00/08/61/417000861.db2.gz HASSDIREBLLKST-MRXNPFEDSA-N 1 3 321.421 0.946 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000642784429 417096937 /nfs/dbraw/zinc/09/69/37/417096937.db2.gz UXSMDBFPIILLRM-STQMWFEESA-N 1 3 320.437 0.695 20 0 DCADHO CCN1CCN(CCCCNC(=O)CC2CC[NH2+]CC2)CC1 ZINC000431015911 417098145 /nfs/dbraw/zinc/09/81/45/417098145.db2.gz RLLNKYJWELXXBT-UHFFFAOYSA-N 1 3 310.486 0.910 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000431018240 417098361 /nfs/dbraw/zinc/09/83/61/417098361.db2.gz FKNHOWMBVDNOAN-OAHLLOKOSA-N 1 3 310.486 0.895 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000642439903 417054589 /nfs/dbraw/zinc/05/45/89/417054589.db2.gz RCUXFWRIDVKZCH-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CC[NH3+])C1 ZINC000430881177 417075107 /nfs/dbraw/zinc/07/51/07/417075107.db2.gz YXGJUVYJCSDJCM-ZDUSSCGKSA-N 1 3 304.394 0.671 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000378490574 417078816 /nfs/dbraw/zinc/07/88/16/417078816.db2.gz DVGSMMJLQIWYNM-CABCVRRESA-N 1 3 312.458 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000378490574 417078823 /nfs/dbraw/zinc/07/88/23/417078823.db2.gz DVGSMMJLQIWYNM-CABCVRRESA-N 1 3 312.458 0.690 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000642724484 417079171 /nfs/dbraw/zinc/07/91/71/417079171.db2.gz QSWIUYNIGPVUGW-IPYPFGDCSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642733348 417085728 /nfs/dbraw/zinc/08/57/28/417085728.db2.gz GEYQXSOSXJPTAC-ILXRZTDVSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000430968201 417092255 /nfs/dbraw/zinc/09/22/55/417092255.db2.gz VWPQCDRQEKIOFP-BXUZGUMPSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000430629687 287348452 /nfs/dbraw/zinc/34/84/52/287348452.db2.gz QNUMYKZKFOLCSA-BBRMVZONSA-N 1 3 308.470 0.931 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)COCC[NH3+] ZINC000398119622 417107264 /nfs/dbraw/zinc/10/72/64/417107264.db2.gz GQOUBWRKBOWDHL-GDBMZVCRSA-N 1 3 305.422 0.989 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000642906546 417117037 /nfs/dbraw/zinc/11/70/37/417117037.db2.gz RBSZMZKFCIIVHA-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000642912494 417120647 /nfs/dbraw/zinc/12/06/47/417120647.db2.gz RBHIRNSLXYOVSV-HZSPNIEDSA-N 1 3 308.426 0.069 20 0 DCADHO COC1CC[NH+](C(C)(C)CNC(=O)C[C@H]2CNCCO2)CC1 ZINC000430721199 287350667 /nfs/dbraw/zinc/35/06/67/287350667.db2.gz KYQQUAOLVVMMAN-AWEZNQCLSA-N 1 3 313.442 0.371 20 0 DCADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000642930338 417130983 /nfs/dbraw/zinc/13/09/83/417130983.db2.gz ALLVCGYTABJAFB-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637833472 417203462 /nfs/dbraw/zinc/20/34/62/417203462.db2.gz SQXMQBVDAJTCMQ-HOCLYGCPSA-N 1 3 304.438 0.562 20 0 DCADHO CO[C@@]1(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CCOC1 ZINC000637982587 417265610 /nfs/dbraw/zinc/26/56/10/417265610.db2.gz WDNZHYSGFKHAGX-MRXNPFEDSA-N 1 3 313.442 0.182 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000569571612 417267352 /nfs/dbraw/zinc/26/73/52/417267352.db2.gz LQFMTMQPWGIHLM-WMLDXEAASA-N 1 3 323.437 0.377 20 0 DCADHO C[C@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C[NH+](C)C ZINC000569796776 417292106 /nfs/dbraw/zinc/29/21/06/417292106.db2.gz HCJOLVGGOVCIHR-QAPCUYQASA-N 1 3 319.449 0.937 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000643513876 417231235 /nfs/dbraw/zinc/23/12/35/417231235.db2.gz FIZDOGKVKABRPM-GBJTYRQASA-N 1 3 322.453 0.125 20 0 DCADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)CC2 ZINC000643526152 417234911 /nfs/dbraw/zinc/23/49/11/417234911.db2.gz QZGIHKYYWSGAKW-KBXIAJHMSA-N 1 3 322.453 0.266 20 0 DCADHO [NH3+]C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000627112807 417237547 /nfs/dbraw/zinc/23/75/47/417237547.db2.gz OSSQONLRHSQQFO-KGLIPLIRSA-N 1 3 310.442 0.810 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)C2)CC1 ZINC000569455210 417254505 /nfs/dbraw/zinc/25/45/05/417254505.db2.gz BTBBZLYXMCUDAC-XHSDSOJGSA-N 1 3 308.470 0.611 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)NC[C@H]3CNCCO3)cn2)CC1 ZINC000632960232 417301541 /nfs/dbraw/zinc/30/15/41/417301541.db2.gz CSDZDKSHXCTFQC-CQSZACIVSA-N 1 3 322.413 0.260 20 0 DCADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN(C)CC ZINC000414871178 417310511 /nfs/dbraw/zinc/31/05/11/417310511.db2.gz DASMUILBKJZUOE-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638084358 417321098 /nfs/dbraw/zinc/32/10/98/417321098.db2.gz KDWMCVPWOHTQKK-ZBFHGGJFSA-N 1 3 306.454 0.902 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC1C[NH2+]C1 ZINC000638096805 417323913 /nfs/dbraw/zinc/32/39/13/417323913.db2.gz MTUHSQFUUXZEKZ-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000627304002 417340444 /nfs/dbraw/zinc/34/04/44/417340444.db2.gz JOAQQDMHMDEVAN-AWEZNQCLSA-N 1 3 320.437 0.430 20 0 DCADHO CN(C)C[C@H]1CCCCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000570393675 417347833 /nfs/dbraw/zinc/34/78/33/417347833.db2.gz LHQUTJMLKQXPFH-UONOGXRCSA-N 1 3 320.441 0.586 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638248688 417391539 /nfs/dbraw/zinc/39/15/39/417391539.db2.gz UDJHIFKCZALRKT-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO CCN1CCN(CC(C)(C)[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000451990602 417429467 /nfs/dbraw/zinc/42/94/67/417429467.db2.gz RKGHLEUOLRIFOY-INIZCTEOSA-N 1 3 312.502 0.447 20 0 DCADHO CCN1CCN(CC(C)(C)NC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000451990602 417429476 /nfs/dbraw/zinc/42/94/76/417429476.db2.gz RKGHLEUOLRIFOY-INIZCTEOSA-N 1 3 312.502 0.447 20 0 DCADHO CCN1CCN(CC(C)(C)NC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000451990602 417429482 /nfs/dbraw/zinc/42/94/82/417429482.db2.gz RKGHLEUOLRIFOY-INIZCTEOSA-N 1 3 312.502 0.447 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638202075 417372149 /nfs/dbraw/zinc/37/21/49/417372149.db2.gz ZCEILBOXGGHBET-ZIAGYGMSSA-N 1 3 301.431 0.357 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638201381 417373639 /nfs/dbraw/zinc/37/36/39/417373639.db2.gz MLTNETOJXGPPGF-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030641 417375849 /nfs/dbraw/zinc/37/58/49/417375849.db2.gz YUKMPEWXUGQHCN-CZUORRHYSA-N 1 3 310.442 0.125 20 0 DCADHO CN(C)CCn1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cn1 ZINC000638350629 417431814 /nfs/dbraw/zinc/43/18/14/417431814.db2.gz MRWWOVDCRXXVPT-HNNXBMFYSA-N 1 3 313.405 0.975 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000528693718 417381923 /nfs/dbraw/zinc/38/19/23/417381923.db2.gz JZHIPQFPFJQQHV-CYBMUJFWSA-N 1 3 308.430 0.906 20 0 DCADHO NC(C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C(F)(F)F ZINC000638560295 417488249 /nfs/dbraw/zinc/48/82/49/417488249.db2.gz SFYWAGUBLZXNFN-FSDSQADBSA-N 1 3 307.238 0.862 20 0 DCADHO CC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000638406258 417445626 /nfs/dbraw/zinc/44/56/26/417445626.db2.gz JWVILLOAPOEMSW-CZUORRHYSA-N 1 3 305.422 0.867 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000638784505 417555852 /nfs/dbraw/zinc/55/58/52/417555852.db2.gz IKVOKUCQGWYDGM-VNQPRFMTSA-N 1 3 309.454 0.992 20 0 DCADHO COCCOCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634644083 417521038 /nfs/dbraw/zinc/52/10/38/417521038.db2.gz NZPIZYWTPYBBSF-KRWDZBQOSA-N 1 3 308.422 0.876 20 0 DCADHO COCCOCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634644083 417521042 /nfs/dbraw/zinc/52/10/42/417521042.db2.gz NZPIZYWTPYBBSF-KRWDZBQOSA-N 1 3 308.422 0.876 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000576293360 417598828 /nfs/dbraw/zinc/59/88/28/417598828.db2.gz SJVALEAWPCEDHU-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)C1=CCN(C)CC1 ZINC000576353844 417602724 /nfs/dbraw/zinc/60/27/24/417602724.db2.gz JHWYKSSJVUFWJR-CYBMUJFWSA-N 1 3 322.453 0.340 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000576396986 417604539 /nfs/dbraw/zinc/60/45/39/417604539.db2.gz QBJDGUDNQVKCNK-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)OC[C@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000644532869 417614263 /nfs/dbraw/zinc/61/42/63/417614263.db2.gz BCFFRFPRLNPYKO-QGZVFWFLSA-N 1 3 313.486 0.921 20 0 DCADHO COCCOC[C@@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000644613297 417630874 /nfs/dbraw/zinc/63/08/74/417630874.db2.gz YSGVQEPKDSLCHE-KRWDZBQOSA-N 1 3 323.437 0.912 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000457106632 417688982 /nfs/dbraw/zinc/68/89/82/417688982.db2.gz DICMJRSSIMHEJC-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000457106632 417688987 /nfs/dbraw/zinc/68/89/87/417688987.db2.gz DICMJRSSIMHEJC-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO O[C@H](CNC1CCN(c2cnccn2)CC1)C[NH+]1CCCC1 ZINC000532212397 417668293 /nfs/dbraw/zinc/66/82/93/417668293.db2.gz RGQLOMZTRGPKOB-OAHLLOKOSA-N 1 3 305.426 0.492 20 0 DCADHO CC(C)(C(=O)NC[C@H]1NCCc2ccccc21)N1CC[NH2+]CC1 ZINC000577164717 417669458 /nfs/dbraw/zinc/66/94/58/417669458.db2.gz XPMRBEBKOZTTKJ-MRXNPFEDSA-N 1 3 316.449 0.673 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635499104 417680059 /nfs/dbraw/zinc/68/00/59/417680059.db2.gz RPGDZCQOTIIOSW-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C(=O)NCCN(C)CCOC)[C@@H]1CCN(C)C1 ZINC000645250027 417719259 /nfs/dbraw/zinc/71/92/59/417719259.db2.gz UJLPARZOBQEFRE-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CCCN(C(=O)NCCN(C)CCOC)[C@@H]1CC[N@H+](C)C1 ZINC000645250027 417719261 /nfs/dbraw/zinc/71/92/61/417719261.db2.gz UJLPARZOBQEFRE-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CCCN(C(=O)NCCN(C)CCOC)[C@@H]1CC[N@@H+](C)C1 ZINC000645250027 417719264 /nfs/dbraw/zinc/71/92/64/417719264.db2.gz UJLPARZOBQEFRE-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO [NH3+]CCOCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662637013 417830005 /nfs/dbraw/zinc/83/00/05/417830005.db2.gz GFVRKTKILUHOLF-UHFFFAOYSA-N 1 3 306.410 0.385 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)C1 ZINC000640267446 417808268 /nfs/dbraw/zinc/80/82/68/417808268.db2.gz BBCYMMZUSQWNJS-CABCVRRESA-N 1 3 309.458 0.145 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662694458 417854328 /nfs/dbraw/zinc/85/43/28/417854328.db2.gz QNWKJUYUPLHNLX-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000662703307 417860242 /nfs/dbraw/zinc/86/02/42/417860242.db2.gz JNQHOUINJOSQOB-OLZOCXBDSA-N 1 3 306.414 0.244 20 0 DCADHO CN(C)CCn1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000662704822 417861467 /nfs/dbraw/zinc/86/14/67/417861467.db2.gz KUXFGMPDNXRGJB-GFCCVEGCSA-N 1 3 319.331 0.925 20 0 DCADHO CCCN(C)CC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662744033 417882682 /nfs/dbraw/zinc/88/26/82/417882682.db2.gz BXHHLYPSZQIBQL-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662661225 417841856 /nfs/dbraw/zinc/84/18/56/417841856.db2.gz NFLXKYVKXSGCRN-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013232 417976706 /nfs/dbraw/zinc/97/67/06/417976706.db2.gz BNEAMMUIIHRRMQ-OLZOCXBDSA-N 1 3 320.441 0.263 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662822834 417916062 /nfs/dbraw/zinc/91/60/62/417916062.db2.gz RDQCLILPPSVERD-CYBMUJFWSA-N 1 3 305.426 0.900 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662841873 417922571 /nfs/dbraw/zinc/92/25/71/417922571.db2.gz MLMLGWCNRNNJHQ-HOCLYGCPSA-N 1 3 324.469 0.324 20 0 DCADHO C[C@@H]1CCN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000652612597 417932075 /nfs/dbraw/zinc/93/20/75/417932075.db2.gz WWHRRZGAWXEBKH-CHWSQXEVSA-N 1 3 308.430 0.893 20 0 DCADHO [NH3+]CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000652687887 417944765 /nfs/dbraw/zinc/94/47/65/417944765.db2.gz PAVYXVCDTIGDRS-OAHLLOKOSA-N 1 3 322.453 0.174 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@H]1[NH3+] ZINC000652731459 417958117 /nfs/dbraw/zinc/95/81/17/417958117.db2.gz LFXFDMHAJJZPCS-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)Cc1ccccc1 ZINC000653106190 418025854 /nfs/dbraw/zinc/02/58/54/418025854.db2.gz WRJYKQZPCFCOJK-JZXOWHBKSA-N 1 3 317.433 0.512 20 0 DCADHO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1nc2c(s1)CNCC2 ZINC000663495587 418026634 /nfs/dbraw/zinc/02/66/34/418026634.db2.gz ZLMPPGPRHOUUNJ-LBPRGKRZSA-N 1 3 318.450 0.669 20 0 DCADHO CC(C)([NH3+])CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514522 418028847 /nfs/dbraw/zinc/02/88/47/418028847.db2.gz ZDRGMTNAGXXOEF-ZDUSSCGKSA-N 1 3 306.458 0.736 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)N(C)C)cc1 ZINC000653112061 418029590 /nfs/dbraw/zinc/02/95/90/418029590.db2.gz KQJOJIFBGUINNX-JZXOWHBKSA-N 1 3 317.433 0.950 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653141732 418036012 /nfs/dbraw/zinc/03/60/12/418036012.db2.gz AWEHRMQOFPHTOY-LRDDRELGSA-N 1 3 303.362 0.343 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])CC1 ZINC000653240630 418046298 /nfs/dbraw/zinc/04/62/98/418046298.db2.gz QEPPPEDCTSMBDD-HZPDHXFCSA-N 1 3 310.486 0.990 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000658534529 417984071 /nfs/dbraw/zinc/98/40/71/417984071.db2.gz FRTWEELFJVDODQ-UHFFFAOYSA-N 1 3 318.421 0.707 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000659080317 418056347 /nfs/dbraw/zinc/05/63/47/418056347.db2.gz XAJZMWABINDICP-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663794046 418057281 /nfs/dbraw/zinc/05/72/81/418057281.db2.gz VHTQSADCGMOYEM-XGUBFFRZSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663794046 418057283 /nfs/dbraw/zinc/05/72/83/418057283.db2.gz VHTQSADCGMOYEM-XGUBFFRZSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653383539 418066507 /nfs/dbraw/zinc/06/65/07/418066507.db2.gz RZQMQEVBSHGILO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664031036 418077927 /nfs/dbraw/zinc/07/79/27/418077927.db2.gz AGRFYLLVONKHOP-AJNGGQMLSA-N 1 3 312.458 0.566 20 0 DCADHO CC1(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CNC1 ZINC000659351188 418085397 /nfs/dbraw/zinc/08/53/97/418085397.db2.gz ZPOQOBLPUOXAQS-HUUCEWRRSA-N 1 3 321.396 0.766 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664131122 418088945 /nfs/dbraw/zinc/08/89/45/418088945.db2.gz YAHRZDCYYPLATJ-XJKSGUPXSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664131122 418088948 /nfs/dbraw/zinc/08/89/48/418088948.db2.gz YAHRZDCYYPLATJ-XJKSGUPXSA-N 1 3 322.453 0.464 20 0 DCADHO CN1CCN(CC[NH2+]C[C@H]2CNc3ccnn3C2)CC1(C)C ZINC000648031338 418090817 /nfs/dbraw/zinc/09/08/17/418090817.db2.gz OFIGIHFADHHYKK-AWEZNQCLSA-N 1 3 306.458 0.540 20 0 DCADHO CCN1CCN(CCCCNC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659434389 418096886 /nfs/dbraw/zinc/09/68/86/418096886.db2.gz KMIFYVSORPWELH-UHFFFAOYSA-N 1 3 313.490 0.783 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000659606705 418124209 /nfs/dbraw/zinc/12/42/09/418124209.db2.gz SYNXRBCKCIQUIP-KKUMJFAQSA-N 1 3 312.458 0.864 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659607325 418124979 /nfs/dbraw/zinc/12/49/79/418124979.db2.gz AKNXGTCXQXWHNX-KBMXLJTQSA-N 1 3 322.453 0.776 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000659755922 418177332 /nfs/dbraw/zinc/17/73/32/418177332.db2.gz NJCXLCUOGIRMEA-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659679660 418144394 /nfs/dbraw/zinc/14/43/94/418144394.db2.gz BLAIYEXKHOPDBF-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659684658 418146457 /nfs/dbraw/zinc/14/64/57/418146457.db2.gz HPYLIPQQHKCUFE-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000659709687 418155815 /nfs/dbraw/zinc/15/58/15/418155815.db2.gz HWZFVNQDQAUOAL-CYBMUJFWSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659716656 418159273 /nfs/dbraw/zinc/15/92/73/418159273.db2.gz BPCFTNZJMBBFGI-CHWSQXEVSA-N 1 3 312.458 0.465 20 0 DCADHO O=C(NCCCCC[NH+]1CCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654574412 418162229 /nfs/dbraw/zinc/16/22/29/418162229.db2.gz MKPVNINDJICNBN-JKSUJKDBSA-N 1 3 324.469 0.713 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000659723017 418163703 /nfs/dbraw/zinc/16/37/03/418163703.db2.gz JUQVHEMWPPYMRG-XJKSGUPXSA-N 1 3 310.442 0.093 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733110 418168461 /nfs/dbraw/zinc/16/84/61/418168461.db2.gz VFQNCAMLWVWPLS-KGLIPLIRSA-N 1 3 322.453 0.459 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCC2)CCN1C ZINC000659732856 418168553 /nfs/dbraw/zinc/16/85/53/418168553.db2.gz UVNDJPPQVDBNTD-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)N(C)C ZINC000665043962 418170252 /nfs/dbraw/zinc/17/02/52/418170252.db2.gz NQPHFDCDEJGKCP-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000659744101 418173640 /nfs/dbraw/zinc/17/36/40/418173640.db2.gz FFNBSCCSSXTNCF-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000654663278 418173644 /nfs/dbraw/zinc/17/36/44/418173644.db2.gz LXXNOZWTXYXHFY-SOUVJXGZSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000659745569 418174237 /nfs/dbraw/zinc/17/42/37/418174237.db2.gz ZSDBDFUPIYGSJN-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649333671 418240482 /nfs/dbraw/zinc/24/04/82/418240482.db2.gz LXHYUBCVEDQPIM-KFWWJZLASA-N 1 3 307.438 0.888 20 0 DCADHO CCN1CCC(NC(=O)CN(C2CC2)C2CC[NH2+]CC2)CC1 ZINC000649408943 418251995 /nfs/dbraw/zinc/25/19/95/418251995.db2.gz LQUNAJSVNIESIW-UHFFFAOYSA-N 1 3 308.470 0.803 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)CC(C)(C)CN1CCOCC1 ZINC000660122494 418233766 /nfs/dbraw/zinc/23/37/66/418233766.db2.gz WPFWVGXMJNCZMV-INIZCTEOSA-N 1 3 315.502 0.978 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)CC(C)(C)CN1CCOCC1 ZINC000660122494 418233768 /nfs/dbraw/zinc/23/37/68/418233768.db2.gz WPFWVGXMJNCZMV-INIZCTEOSA-N 1 3 315.502 0.978 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000660122494 418233771 /nfs/dbraw/zinc/23/37/71/418233771.db2.gz WPFWVGXMJNCZMV-INIZCTEOSA-N 1 3 315.502 0.978 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000660122494 418233773 /nfs/dbraw/zinc/23/37/73/418233773.db2.gz WPFWVGXMJNCZMV-INIZCTEOSA-N 1 3 315.502 0.978 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000649318894 418235489 /nfs/dbraw/zinc/23/54/89/418235489.db2.gz SZYREJUOBMSOBM-ZDUSSCGKSA-N 1 3 319.396 0.848 20 0 DCADHO CC(C)([NH3+])CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000649319954 418236447 /nfs/dbraw/zinc/23/64/47/418236447.db2.gz FIQKGTROKMMGFY-UHFFFAOYSA-N 1 3 310.442 0.271 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000660704385 418282773 /nfs/dbraw/zinc/28/27/73/418282773.db2.gz NOYHWNWPOPPTPL-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000660704385 418282775 /nfs/dbraw/zinc/28/27/75/418282775.db2.gz NOYHWNWPOPPTPL-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000655714315 418290613 /nfs/dbraw/zinc/29/06/13/418290613.db2.gz AMABGKFTLDWUKW-FUHWJXTLSA-N 1 3 324.513 0.855 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000660803699 418290656 /nfs/dbraw/zinc/29/06/56/418290656.db2.gz OEOFMXIOFJARAF-BBWFWOEESA-N 1 3 319.449 0.888 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000660803699 418290657 /nfs/dbraw/zinc/29/06/57/418290657.db2.gz OEOFMXIOFJARAF-BBWFWOEESA-N 1 3 319.449 0.888 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655961401 418307704 /nfs/dbraw/zinc/30/77/04/418307704.db2.gz QHDWRSBQMARSQZ-HUUCEWRRSA-N 1 3 309.458 0.208 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000655968932 418308121 /nfs/dbraw/zinc/30/81/21/418308121.db2.gz BTTQQHXMWXURHC-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656023160 418319145 /nfs/dbraw/zinc/31/91/45/418319145.db2.gz XCPXPMQSEOSYTL-RDBSUJKOSA-N 1 3 310.442 0.219 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656025462 418320217 /nfs/dbraw/zinc/32/02/17/418320217.db2.gz KRZJYVSCEVUJOD-LSDHHAIUSA-N 1 3 320.437 0.155 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656025893 418320792 /nfs/dbraw/zinc/32/07/92/418320792.db2.gz VZHKLBVOEHGKGR-ILXRZTDVSA-N 1 3 324.469 0.753 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)C1 ZINC000655449314 418263452 /nfs/dbraw/zinc/26/34/52/418263452.db2.gz ANUYOWJSNPTFNL-XYJFISCASA-N 1 3 320.481 0.615 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000660484431 418263617 /nfs/dbraw/zinc/26/36/17/418263617.db2.gz XLXXYZUNJYGEQA-DLBZAZTESA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000660484431 418263621 /nfs/dbraw/zinc/26/36/21/418263621.db2.gz XLXXYZUNJYGEQA-DLBZAZTESA-N 1 3 313.486 0.732 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)C[C@H]2N)cn1 ZINC000655481719 418266653 /nfs/dbraw/zinc/26/66/53/418266653.db2.gz NVNIFOYFHADEAH-NHIYQJMISA-N 1 3 303.410 0.063 20 0 DCADHO NC[C@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(F)(F)F ZINC000655517180 418271205 /nfs/dbraw/zinc/27/12/05/418271205.db2.gz BBXAZDKJSWCSOO-UWVGGRQHSA-N 1 3 305.304 0.427 20 0 DCADHO CC[C@@H]1[C@@H](CO)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649809015 418275570 /nfs/dbraw/zinc/27/55/70/418275570.db2.gz BVKWSXGJMSYLIG-CZUORRHYSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656355181 418350059 /nfs/dbraw/zinc/35/00/59/418350059.db2.gz KAEFZTCUDUFCPF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCOc1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)nn1 ZINC000662326917 418401855 /nfs/dbraw/zinc/40/18/55/418401855.db2.gz HCLHNZOJXXHGRA-CQSZACIVSA-N 1 3 305.426 0.997 20 0 DCADHO c1c([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1 ZINC000662336497 418402023 /nfs/dbraw/zinc/40/20/23/418402023.db2.gz YCXRPOFVMUCGFB-LSDHHAIUSA-N 1 3 318.469 0.608 20 0 DCADHO C[NH2+]CCCN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337988 418402740 /nfs/dbraw/zinc/40/27/40/418402740.db2.gz OQRHWLIUWNZQII-AWEZNQCLSA-N 1 3 306.458 0.608 20 0 DCADHO COCCN(C)CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662384170 418405923 /nfs/dbraw/zinc/40/59/23/418405923.db2.gz LFWZITGURUYZEK-GFCCVEGCSA-N 1 3 309.414 0.185 20 0 DCADHO C[C@@H](CNC(=O)NCCOCCN(C)C)C[NH+]1CCCCC1 ZINC000471647117 287518994 /nfs/dbraw/zinc/51/89/94/287518994.db2.gz OUGZAFMBGXEOAQ-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO CCN(CCO)CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000187176464 261122757 /nfs/dbraw/zinc/12/27/57/261122757.db2.gz CCGNLURJXTYEHT-UHFFFAOYSA-N 1 3 314.474 0.863 20 0 DCADHO CC(C)n1nccc1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000354350153 261206874 /nfs/dbraw/zinc/20/68/74/261206874.db2.gz YNUMIYURBWUWSK-UHFFFAOYSA-N 1 3 323.485 0.944 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354664976 261253133 /nfs/dbraw/zinc/25/31/33/261253133.db2.gz NRGNFLSIJJJWNQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354673938 261255837 /nfs/dbraw/zinc/25/58/37/261255837.db2.gz FXDXRGNOKXOJPP-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCCC[NH+]1CCCC1 ZINC000356099359 261391991 /nfs/dbraw/zinc/39/19/91/261391991.db2.gz QYYJZKUBGIOLRD-UHFFFAOYSA-N 1 3 300.447 0.692 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](N)CC(F)F)CC1 ZINC000356136479 261396132 /nfs/dbraw/zinc/39/61/32/261396132.db2.gz YAPJVCRMAZXGFV-CMPLNLGQSA-N 1 3 307.385 0.520 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCN(C)CCCOC)C1 ZINC000362348897 262024912 /nfs/dbraw/zinc/02/49/12/262024912.db2.gz OOJPTLUJIBISMJ-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN(C)CCCOC)C1 ZINC000362348897 262024914 /nfs/dbraw/zinc/02/49/14/262024914.db2.gz OOJPTLUJIBISMJ-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000362903927 262085452 /nfs/dbraw/zinc/08/54/52/262085452.db2.gz AVVVVIRJOXUJTN-OWCLPIDISA-N 1 3 324.469 0.975 20 0 DCADHO CC1CC[NH+](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363389545 262113662 /nfs/dbraw/zinc/11/36/62/262113662.db2.gz LJGYPHNFIYXRSN-HZPDHXFCSA-N 1 3 324.469 0.881 20 0 DCADHO COCCNCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000370767257 262147594 /nfs/dbraw/zinc/14/75/94/262147594.db2.gz RZCUEDPJCNJTLQ-INIZCTEOSA-N 1 3 305.422 0.955 20 0 DCADHO COCCNCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000370767257 262147595 /nfs/dbraw/zinc/14/75/95/262147595.db2.gz RZCUEDPJCNJTLQ-INIZCTEOSA-N 1 3 305.422 0.955 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000417072098 262245019 /nfs/dbraw/zinc/24/50/19/262245019.db2.gz RBKRXUQVAMNCBY-MRXNPFEDSA-N 1 3 319.453 0.451 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417086946 262245771 /nfs/dbraw/zinc/24/57/71/262245771.db2.gz DPKTZFHTLVIHKG-QLFBSQMISA-N 1 3 312.458 0.642 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)NCCCN(C)CCOC)CC1 ZINC000417091052 262245832 /nfs/dbraw/zinc/24/58/32/262245832.db2.gz IYFVIHUOPDKEDG-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CNCCO2)c1 ZINC000417410234 262251024 /nfs/dbraw/zinc/25/10/24/262251024.db2.gz VWUONKXVOQLNLO-INIZCTEOSA-N 1 3 320.437 0.926 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CNCCO2)c1 ZINC000417410234 262251025 /nfs/dbraw/zinc/25/10/25/262251025.db2.gz VWUONKXVOQLNLO-INIZCTEOSA-N 1 3 320.437 0.926 20 0 DCADHO [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417652747 262257416 /nfs/dbraw/zinc/25/74/16/262257416.db2.gz PJCWOLJWAQCTQX-INIZCTEOSA-N 1 3 320.437 0.614 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000417741662 262260290 /nfs/dbraw/zinc/26/02/90/262260290.db2.gz AMNMJPPGIGYKAP-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000417826915 262263014 /nfs/dbraw/zinc/26/30/14/262263014.db2.gz NHDCBLZIMQGQBB-HUUCEWRRSA-N 1 3 312.483 0.819 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)F)CCSC1 ZINC000417832126 262263078 /nfs/dbraw/zinc/26/30/78/262263078.db2.gz RAFLDZCGPANUCU-CABZTGNLSA-N 1 3 310.414 0.705 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000417839632 262263583 /nfs/dbraw/zinc/26/35/83/262263583.db2.gz RMIXACAQCXJOEL-WBVHZDCISA-N 1 3 305.422 0.991 20 0 DCADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000417837607 262263828 /nfs/dbraw/zinc/26/38/28/262263828.db2.gz PQRVSCNUBUCDEN-HOCLYGCPSA-N 1 3 320.437 0.465 20 0 DCADHO [NH3+]CCCn1ccc2cc(C(=O)NC[C@H]3CNCCO3)ccc21 ZINC000417850887 262264226 /nfs/dbraw/zinc/26/42/26/262264226.db2.gz XZEOEQUPUXUHRL-OAHLLOKOSA-N 1 3 316.405 0.708 20 0 DCADHO C[NH2+]CCCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417985935 262267015 /nfs/dbraw/zinc/26/70/15/262267015.db2.gz GCNJZMPCZJOHQX-INIZCTEOSA-N 1 3 320.437 0.662 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NCCC[NH2+]C2CC2)CCCO1 ZINC000418110575 262270328 /nfs/dbraw/zinc/27/03/28/262270328.db2.gz FJJQWGWAECHYJL-CQSZACIVSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418114141 262270441 /nfs/dbraw/zinc/27/04/41/262270441.db2.gz LDELPDQPVPMHGP-GJZGRUSLSA-N 1 3 312.458 0.786 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418375121 262276047 /nfs/dbraw/zinc/27/60/47/262276047.db2.gz WYVGBHPRDNSFOY-ZIAGYGMSSA-N 1 3 300.447 0.594 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418413639 262276966 /nfs/dbraw/zinc/27/69/66/262276966.db2.gz QXKVGAVJECMWEF-RRFJBIMHSA-N 1 3 312.458 0.650 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000418506118 262279527 /nfs/dbraw/zinc/27/95/27/262279527.db2.gz FUUUVORZTJQWKS-UHFFFAOYSA-N 1 3 311.474 0.583 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418500780 262279801 /nfs/dbraw/zinc/27/98/01/262279801.db2.gz QKIZKWOAYSGCRU-HNNXBMFYSA-N 1 3 305.426 0.892 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@H]1CCCN1CCCO ZINC000418745965 262287056 /nfs/dbraw/zinc/28/70/56/262287056.db2.gz WQQGHIGZTGNVAT-WJTFHPDPSA-N 1 3 324.469 0.648 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418757020 262287285 /nfs/dbraw/zinc/28/72/85/262287285.db2.gz HDSVYIOOVLHBTP-CQSZACIVSA-N 1 3 323.441 0.256 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000418879290 262294876 /nfs/dbraw/zinc/29/48/76/262294876.db2.gz SIXGJMLNWFEJFM-TZMCWYRMSA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418876465 262295051 /nfs/dbraw/zinc/29/50/51/262295051.db2.gz MCSMJZNJHVMZCZ-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418931731 262299466 /nfs/dbraw/zinc/29/94/66/262299466.db2.gz HHEJDOFSGXFNJQ-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N(C)CCN)cc1 ZINC000419003862 262303198 /nfs/dbraw/zinc/30/31/98/262303198.db2.gz DNUNVYJHFGXYDS-UHFFFAOYSA-N 1 3 320.437 0.562 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419016838 262304637 /nfs/dbraw/zinc/30/46/37/262304637.db2.gz AAFSFMMAWALUSB-XFMPKHEZSA-N 1 3 324.469 0.323 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419072578 262306298 /nfs/dbraw/zinc/30/62/98/262306298.db2.gz BLDNHBLDYUWYCL-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419083308 262307997 /nfs/dbraw/zinc/30/79/97/262307997.db2.gz WEFDVGPBEBCXFV-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419097183 262309250 /nfs/dbraw/zinc/30/92/50/262309250.db2.gz DKZVORKDDXEDTB-ILXRZTDVSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419103432 262309277 /nfs/dbraw/zinc/30/92/77/262309277.db2.gz GAEIRZPTZNHQBP-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419118381 262309633 /nfs/dbraw/zinc/30/96/33/262309633.db2.gz IQPUOIPSFYPTSD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419159979 262314482 /nfs/dbraw/zinc/31/44/82/262314482.db2.gz OUTSWLSYWPXWAI-CQSZACIVSA-N 1 3 312.458 0.324 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419170543 262316415 /nfs/dbraw/zinc/31/64/15/262316415.db2.gz NTERUJLILVWYEJ-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419171870 262316602 /nfs/dbraw/zinc/31/66/02/262316602.db2.gz PXRCKKJOWPRSBE-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419170542 262316664 /nfs/dbraw/zinc/31/66/64/262316664.db2.gz NTERUJLILVWYEJ-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419221513 262320517 /nfs/dbraw/zinc/32/05/17/262320517.db2.gz ATVFCQWADBZKEK-OCCSQVGLSA-N 1 3 310.442 0.078 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419284147 262323981 /nfs/dbraw/zinc/32/39/81/262323981.db2.gz KINPLBRQPSUOAU-ZIAGYGMSSA-N 1 3 312.458 0.278 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000419406771 262330366 /nfs/dbraw/zinc/33/03/66/262330366.db2.gz JDTSZIOIZICSLQ-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419409971 262331394 /nfs/dbraw/zinc/33/13/94/262331394.db2.gz NUQKICAXRQOOEE-HNNXBMFYSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419418649 262331956 /nfs/dbraw/zinc/33/19/56/262331956.db2.gz IPXVDBSBIWZKNB-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000419419602 262332333 /nfs/dbraw/zinc/33/23/33/262332333.db2.gz ZHCSPSGIUOUCEG-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419427600 262333041 /nfs/dbraw/zinc/33/30/41/262333041.db2.gz RWGPKMPVSJUQDN-UKRRQHHQSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419430514 262333218 /nfs/dbraw/zinc/33/32/18/262333218.db2.gz VXVCZKKJVNCYFU-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419429007 262333423 /nfs/dbraw/zinc/33/34/23/262333423.db2.gz UGOBTAYODQWZAS-YOEHRIQHSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419480382 262333998 /nfs/dbraw/zinc/33/39/98/262333998.db2.gz NEJFOLNDGJJAPH-MCIONIFRSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419480387 262334036 /nfs/dbraw/zinc/33/40/36/262334036.db2.gz NEJFOLNDGJJAPH-MGPQQGTHSA-N 1 3 312.458 0.324 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419502394 262336306 /nfs/dbraw/zinc/33/63/06/262336306.db2.gz CYGFLNVGHVUWQG-UONOGXRCSA-N 1 3 314.474 0.665 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000419502401 262336382 /nfs/dbraw/zinc/33/63/82/262336382.db2.gz CYPAGQCQOABZFZ-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419595677 262339444 /nfs/dbraw/zinc/33/94/44/262339444.db2.gz WXKUNMGHLFGSTN-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419592598 262339680 /nfs/dbraw/zinc/33/96/80/262339680.db2.gz SJKMPLHTNCZQIV-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419643039 262343865 /nfs/dbraw/zinc/34/38/65/262343865.db2.gz MVOCQNTXGCUCCY-OAHLLOKOSA-N 1 3 320.437 0.464 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419695628 262346265 /nfs/dbraw/zinc/34/62/65/262346265.db2.gz LERRWLMVOOMCAA-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699239 262347569 /nfs/dbraw/zinc/34/75/69/262347569.db2.gz VVMWVHZIFWTMQH-ZIAGYGMSSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419871140 262350231 /nfs/dbraw/zinc/35/02/31/262350231.db2.gz XGSIQYOMOXOEMJ-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419968247 262354790 /nfs/dbraw/zinc/35/47/90/262354790.db2.gz PQHSSBXRURVMNO-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420071343 262359208 /nfs/dbraw/zinc/35/92/08/262359208.db2.gz LCJAQRRSJTYBER-HUUCEWRRSA-N 1 3 324.469 0.561 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000420113424 262361689 /nfs/dbraw/zinc/36/16/89/262361689.db2.gz CESGNNCTJQJULE-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000420164595 262365346 /nfs/dbraw/zinc/36/53/46/262365346.db2.gz FSMOSUGGHBWAAR-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000420177427 262365930 /nfs/dbraw/zinc/36/59/30/262365930.db2.gz YYJGIZBKHAUYCM-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000422109797 262396185 /nfs/dbraw/zinc/39/61/85/262396185.db2.gz VUQGGZLRPZVSNY-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000422109797 262396187 /nfs/dbraw/zinc/39/61/87/262396187.db2.gz VUQGGZLRPZVSNY-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424019156 262477914 /nfs/dbraw/zinc/47/79/14/262477914.db2.gz LEUKOIKRWLBYBF-UHFFFAOYSA-N 1 3 304.438 0.658 20 0 DCADHO COC[C@H]1CCN(CC2(C[N@@H+]3CC[C@H](COC)C3)COC2)C1 ZINC000360028298 271160651 /nfs/dbraw/zinc/16/06/51/271160651.db2.gz SRCNDHMELRTLMH-HOTGVXAUSA-N 1 3 312.454 0.940 20 0 DCADHO COC[C@H]1CCN(CC2(C[N@H+]3CC[C@H](COC)C3)COC2)C1 ZINC000360028298 271160655 /nfs/dbraw/zinc/16/06/55/271160655.db2.gz SRCNDHMELRTLMH-HOTGVXAUSA-N 1 3 312.454 0.940 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418327199 271243259 /nfs/dbraw/zinc/24/32/59/271243259.db2.gz YZMNHVCRIIFVFE-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418621699 271248492 /nfs/dbraw/zinc/24/84/92/271248492.db2.gz UAAKSZABTLQFJL-IMJJTQAJSA-N 1 3 320.437 0.516 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418712031 271250017 /nfs/dbraw/zinc/25/00/17/271250017.db2.gz NPMIXCCCHBUUKZ-DOTOQJQBSA-N 1 3 320.437 0.660 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419031348 271267782 /nfs/dbraw/zinc/26/77/82/271267782.db2.gz VEWFVZPEONJGQU-LXTVHRRPSA-N 1 3 324.469 0.337 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)[C@@H](C)CN)c1 ZINC000419033383 271269572 /nfs/dbraw/zinc/26/95/72/271269572.db2.gz XDFQZIYKKINZOC-ZDUSSCGKSA-N 1 3 320.437 0.560 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)[C@@H](C)CN)c1 ZINC000419033383 271269575 /nfs/dbraw/zinc/26/95/75/271269575.db2.gz XDFQZIYKKINZOC-ZDUSSCGKSA-N 1 3 320.437 0.560 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCC1 ZINC000419246778 271278145 /nfs/dbraw/zinc/27/81/45/271278145.db2.gz WNDDGFNFQBTEAH-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419432239 271289656 /nfs/dbraw/zinc/28/96/56/271289656.db2.gz YBGUIKZYXVGEGT-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N(C)C1CC1 ZINC000419579497 271311033 /nfs/dbraw/zinc/31/10/33/271311033.db2.gz GHGJQYZXANTHLH-MBNYWOFBSA-N 1 3 310.442 0.314 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000419630687 271312824 /nfs/dbraw/zinc/31/28/24/271312824.db2.gz UITFQYYRNJYDQU-OCCSQVGLSA-N 1 3 310.442 0.387 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419636207 271313302 /nfs/dbraw/zinc/31/33/02/271313302.db2.gz GYSPIVXOBLNWBB-ZDUSSCGKSA-N 1 3 320.437 0.336 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419906040 271343082 /nfs/dbraw/zinc/34/30/82/271343082.db2.gz ZOAKVPDADLTDPS-RDBSUJKOSA-N 1 3 310.442 0.314 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420211263 271364422 /nfs/dbraw/zinc/36/44/22/271364422.db2.gz OBCDAHMZXGEZAZ-KBUPBQIOSA-N 1 3 322.453 0.091 20 0 DCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422824573 271387156 /nfs/dbraw/zinc/38/71/56/271387156.db2.gz HJEMRWKCSOPLNJ-HOTGVXAUSA-N 1 3 318.469 0.706 20 0 DCADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)/C=C\C[NH+](C)C ZINC000491646369 272103639 /nfs/dbraw/zinc/10/36/39/272103639.db2.gz UFQLRUXIDJSQAF-HJWRWDBZSA-N 1 3 313.442 0.836 20 0 DCADHO COC(=O)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000514904257 272411171 /nfs/dbraw/zinc/41/11/71/272411171.db2.gz LGPOPZVUKAIUOX-UHFFFAOYSA-N 1 3 322.409 0.434 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000519649084 287676678 /nfs/dbraw/zinc/67/66/78/287676678.db2.gz XEFLTBXCJWAYIE-OAHLLOKOSA-N 1 3 306.410 0.778 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn2cccnc12 ZINC000531118755 287767693 /nfs/dbraw/zinc/76/76/93/287767693.db2.gz ADKPHISWFLVQAM-UHFFFAOYSA-N 1 3 304.398 0.295 20 0 DCADHO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000348161798 277013137 /nfs/dbraw/zinc/01/31/37/277013137.db2.gz RYXHAUBDXMHOED-JKSUJKDBSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000547296263 288035929 /nfs/dbraw/zinc/03/59/29/288035929.db2.gz QGLZVOZKNCEABI-IIAWOOMASA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000547296263 288035931 /nfs/dbraw/zinc/03/59/31/288035931.db2.gz QGLZVOZKNCEABI-IIAWOOMASA-N 1 3 312.458 0.473 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000348768199 279306181 /nfs/dbraw/zinc/30/61/81/279306181.db2.gz ZACFMPNORRFFJO-DZGCQCFKSA-N 1 3 322.453 0.354 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000348768199 279306184 /nfs/dbraw/zinc/30/61/84/279306184.db2.gz ZACFMPNORRFFJO-DZGCQCFKSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000268967111 279462867 /nfs/dbraw/zinc/46/28/67/279462867.db2.gz HICNFXCFCDGPPW-ZDUSSCGKSA-N 1 3 316.409 0.770 20 0 DCADHO CCCNC(=O)CN1CCC([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000565416061 288850594 /nfs/dbraw/zinc/85/05/94/288850594.db2.gz OBJQXJMEDOYHSR-GOEBONIOSA-N 1 3 310.486 0.955 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)C[C@H]2CSCCN2)CC1 ZINC000237082990 289067763 /nfs/dbraw/zinc/06/77/63/289067763.db2.gz ZKWBTLNRGCXMMT-ZDUSSCGKSA-N 1 3 314.499 0.224 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000331730183 295253345 /nfs/dbraw/zinc/25/33/45/295253345.db2.gz PKZNAUVOKWPUSP-ZNMIVQPWSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000570271910 332733891 /nfs/dbraw/zinc/73/38/91/332733891.db2.gz PEMZTZAJJVBKBN-STQMWFEESA-N 1 3 308.426 0.829 20 0 DCADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[C@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000580213706 333013389 /nfs/dbraw/zinc/01/33/89/333013389.db2.gz CXTKMGNKUCLUHI-QLFBSQMISA-N 1 3 316.405 0.237 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)Nc2ccc3c(c2)CNCC3)nn1 ZINC000571162918 333673096 /nfs/dbraw/zinc/67/30/96/333673096.db2.gz OBRZPKORCWYHQW-UHFFFAOYSA-N 1 3 314.393 0.915 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000583087207 337233701 /nfs/dbraw/zinc/23/37/01/337233701.db2.gz MPEMUIIESXIDEC-CYBMUJFWSA-N 1 3 305.426 0.900 20 0 DCADHO [NH3+]CCCn1cc(C(=O)NC[C@@H]2NCCc3ccccc32)nn1 ZINC000583866551 337360996 /nfs/dbraw/zinc/36/09/96/337360996.db2.gz TYOSXCRGEMVREH-AWEZNQCLSA-N 1 3 314.393 0.244 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCNc2cc[nH+]cc2)C1(C)C ZINC000576035121 341821658 /nfs/dbraw/zinc/82/16/58/341821658.db2.gz DFKGEEQZUPMPKZ-CZUORRHYSA-N 1 3 306.410 0.564 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001446433467 1159412884 /nfs/dbraw/zinc/41/28/84/1159412884.db2.gz KPXNPXKTYHPOPO-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000237173356 521784816 /nfs/dbraw/zinc/78/48/16/521784816.db2.gz KWEHYWFFDQCONK-HNNXBMFYSA-N 1 3 318.421 0.346 20 0 DCADHO C[C@H](CC(N)=O)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000267548463 524086139 /nfs/dbraw/zinc/08/61/39/524086139.db2.gz CHFJKOIQNDRAHZ-CYBMUJFWSA-N 1 3 305.422 0.997 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000331716283 528976155 /nfs/dbraw/zinc/97/61/55/528976155.db2.gz OIRBAEQNLCVYAT-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000331716283 528976156 /nfs/dbraw/zinc/97/61/56/528976156.db2.gz OIRBAEQNLCVYAT-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)c2cnccc2N)CC1 ZINC000275593117 535695061 /nfs/dbraw/zinc/69/50/61/535695061.db2.gz DUYFUFPQDHDGPQ-UHFFFAOYSA-N 1 3 305.426 0.811 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000423583627 536355189 /nfs/dbraw/zinc/35/51/89/536355189.db2.gz CGEKGJROPVBSCP-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000423553579 536469713 /nfs/dbraw/zinc/46/97/13/536469713.db2.gz DFEXFTPXZMELJQ-OAHLLOKOSA-N 1 3 318.421 0.897 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333302417 546077069 /nfs/dbraw/zinc/07/70/69/546077069.db2.gz IZZWWXGVCNAIDE-GASCZTMLSA-N 1 3 324.469 0.737 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000342998806 546127759 /nfs/dbraw/zinc/12/77/59/546127759.db2.gz XZRGNAVWPSPEEV-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO COC[C@@H]1CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762982 546397546 /nfs/dbraw/zinc/39/75/46/546397546.db2.gz WNGAOQRNACRBFU-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO COC[C@@H]1CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762982 546397551 /nfs/dbraw/zinc/39/75/51/546397551.db2.gz WNGAOQRNACRBFU-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO CCn1nccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000667409336 546602117 /nfs/dbraw/zinc/60/21/17/546602117.db2.gz SRIVRLOGZXUBMI-UHFFFAOYSA-N 1 3 310.446 0.538 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000668362173 546741538 /nfs/dbraw/zinc/74/15/38/546741538.db2.gz RYLMQGPLWVPADE-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000668584104 546793407 /nfs/dbraw/zinc/79/34/07/546793407.db2.gz AYNJVHUKEPXSSN-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000668584104 546793411 /nfs/dbraw/zinc/79/34/11/546793411.db2.gz AYNJVHUKEPXSSN-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(F)(F)CN)C2)CC1 ZINC000669484152 546977529 /nfs/dbraw/zinc/97/75/29/546977529.db2.gz FLMQHAHPVPLNGP-LLVKDONJSA-N 1 3 319.400 0.048 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC(F)(F)CN)C2)CC1 ZINC000669484152 546977532 /nfs/dbraw/zinc/97/75/32/546977532.db2.gz FLMQHAHPVPLNGP-LLVKDONJSA-N 1 3 319.400 0.048 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCC(F)(F)CN)C2)CC1 ZINC000669484152 546977535 /nfs/dbraw/zinc/97/75/35/546977535.db2.gz FLMQHAHPVPLNGP-LLVKDONJSA-N 1 3 319.400 0.048 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000669490933 546978203 /nfs/dbraw/zinc/97/82/03/546978203.db2.gz FCZJWFQPVUFONU-JKSUJKDBSA-N 1 3 321.469 0.160 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000669718841 547010313 /nfs/dbraw/zinc/01/03/13/547010313.db2.gz GHNXGOZZNICOKQ-YJNKXOJESA-N 1 3 315.483 0.921 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672308632 547348527 /nfs/dbraw/zinc/34/85/27/547348527.db2.gz VXJFBNDJFZTQQL-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CS(C)(=O)=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678771898 548002827 /nfs/dbraw/zinc/00/28/27/548002827.db2.gz ROLBWJXDGGSBOV-QWHCGFSZSA-N 1 3 303.472 0.178 20 0 DCADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000683227236 548459180 /nfs/dbraw/zinc/45/91/80/548459180.db2.gz PLWNJIWTHWXXME-OAGGEKHMSA-N 1 3 300.443 0.959 20 0 DCADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000683227236 548459181 /nfs/dbraw/zinc/45/91/81/548459181.db2.gz PLWNJIWTHWXXME-OAGGEKHMSA-N 1 3 300.443 0.959 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000684966586 548664354 /nfs/dbraw/zinc/66/43/54/548664354.db2.gz IIMTUMSACCPIMP-CQSZACIVSA-N 1 3 321.469 0.477 20 0 DCADHO CN(C)CCCS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903572871 663467268 /nfs/dbraw/zinc/46/72/68/663467268.db2.gz HTNKQYJHJIVHNH-RKDXNWHRSA-N 1 3 303.350 0.089 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3CN(CC(N)=O)C[C@@H]3C2)CC1 ZINC000980178169 660884447 /nfs/dbraw/zinc/88/44/47/660884447.db2.gz ONSOLKUHJIHKRX-QLFBSQMISA-N 1 3 322.453 0.030 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC000980233642 660897650 /nfs/dbraw/zinc/89/76/50/660897650.db2.gz UPDZLASTXIMSEI-QLFBSQMISA-N 1 3 320.437 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC000980233642 660897652 /nfs/dbraw/zinc/89/76/52/660897652.db2.gz UPDZLASTXIMSEI-QLFBSQMISA-N 1 3 320.437 0.860 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037497 661094087 /nfs/dbraw/zinc/09/40/87/661094087.db2.gz ZFUDPCBDYFBZQE-GWUWNPHMSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037497 661094090 /nfs/dbraw/zinc/09/40/90/661094090.db2.gz ZFUDPCBDYFBZQE-GWUWNPHMSA-N 1 3 307.438 0.839 20 0 DCADHO CO[C@@H](C)CN1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176261 661094144 /nfs/dbraw/zinc/09/41/44/661094144.db2.gz RRVGJCGAIIFLMM-HOCLYGCPSA-N 1 3 309.454 0.897 20 0 DCADHO C1C[C@H]([NH2+][C@@H]2CNCC3(CCOCC3)C2)[C@H]([C@@H]2COCCN2)C1 ZINC000925792345 661092366 /nfs/dbraw/zinc/09/23/66/661092366.db2.gz FVUCFASIXUDOJB-YVSFHVDLSA-N 1 3 323.481 0.892 20 0 DCADHO O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCN(CCCF)CC1 ZINC000981211030 661103934 /nfs/dbraw/zinc/10/39/34/661103934.db2.gz ZFZUODCAPPMCRY-GJZGRUSLSA-N 1 3 313.417 0.744 20 0 DCADHO O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCN(CCCF)CC1 ZINC000981211030 661103936 /nfs/dbraw/zinc/10/39/36/661103936.db2.gz ZFZUODCAPPMCRY-GJZGRUSLSA-N 1 3 313.417 0.744 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998551993 665477718 /nfs/dbraw/zinc/47/77/18/665477718.db2.gz SAYBNMZNIGXREK-PESDSKBTSA-N 1 3 305.426 0.593 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891580070 657499053 /nfs/dbraw/zinc/49/90/53/657499053.db2.gz UAENXEQGYHRKCO-HZPDHXFCSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891603317 657515732 /nfs/dbraw/zinc/51/57/32/657515732.db2.gz OAVPSTSQFRIACF-QLFBSQMISA-N 1 3 311.474 0.439 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001023130420 657540871 /nfs/dbraw/zinc/54/08/71/657540871.db2.gz NCWLFWLJKSLKBR-YUELXQCFSA-N 1 3 305.422 0.979 20 0 DCADHO Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000998733274 665514941 /nfs/dbraw/zinc/51/49/41/665514941.db2.gz TYMUOLTYMZGSAW-CVEARBPZSA-N 1 3 317.437 0.960 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC[C@@H]1C[NH3+] ZINC000926324651 658047088 /nfs/dbraw/zinc/04/70/88/658047088.db2.gz BOKRZCHKTOHCLW-RBSFLKMASA-N 1 3 322.453 0.126 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001020588708 658159820 /nfs/dbraw/zinc/15/98/20/658159820.db2.gz JVGZEUYMOMQIOL-KKUMJFAQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001020591564 658174101 /nfs/dbraw/zinc/17/41/01/658174101.db2.gz RIHGYFXBZBBIMA-ABHRYQDASA-N 1 3 305.426 0.355 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001020591564 658174107 /nfs/dbraw/zinc/17/41/07/658174107.db2.gz RIHGYFXBZBBIMA-ABHRYQDASA-N 1 3 305.426 0.355 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020593176 658178305 /nfs/dbraw/zinc/17/83/05/658178305.db2.gz YHIHIZHVDRTKDQ-CYUUQNCZSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020593176 658178313 /nfs/dbraw/zinc/17/83/13/658178313.db2.gz YHIHIZHVDRTKDQ-CYUUQNCZSA-N 1 3 317.437 0.720 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892403944 658268966 /nfs/dbraw/zinc/26/89/66/658268966.db2.gz GMGOBBJFTSASBC-NVXWUHKLSA-N 1 3 320.437 0.312 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC001022716772 658374473 /nfs/dbraw/zinc/37/44/73/658374473.db2.gz HZISPGCDYOSNJN-UYHMYPTGSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001022716772 658374485 /nfs/dbraw/zinc/37/44/85/658374485.db2.gz HZISPGCDYOSNJN-UYHMYPTGSA-N 1 3 317.437 0.720 20 0 DCADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCCF ZINC000939421398 665574277 /nfs/dbraw/zinc/57/42/77/665574277.db2.gz HRUOFCORUFKTCO-TZMCWYRMSA-N 1 3 301.406 0.503 20 0 DCADHO Cn1cc(CC[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000971201066 658402041 /nfs/dbraw/zinc/40/20/41/658402041.db2.gz LHMRGGHYKGYNMJ-HOTGVXAUSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1cc(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000971201066 658402048 /nfs/dbraw/zinc/40/20/48/658402048.db2.gz LHMRGGHYKGYNMJ-HOTGVXAUSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1nccc1CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971202207 658403551 /nfs/dbraw/zinc/40/35/51/658403551.db2.gz UHDPXPQOBVYWBE-CVEARBPZSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1nccc1CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971202207 658403553 /nfs/dbraw/zinc/40/35/53/658403553.db2.gz UHDPXPQOBVYWBE-CVEARBPZSA-N 1 3 319.453 0.590 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001024039265 658409769 /nfs/dbraw/zinc/40/97/69/658409769.db2.gz SJSWLEBCSFJOTJ-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCn3cccn3)C2)C1 ZINC000972335677 658583479 /nfs/dbraw/zinc/58/34/79/658583479.db2.gz RSDVGMSHTWDQHD-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCn3cccn3)C2)C1 ZINC000972335677 658583486 /nfs/dbraw/zinc/58/34/86/658583486.db2.gz RSDVGMSHTWDQHD-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892463317 658591806 /nfs/dbraw/zinc/59/18/06/658591806.db2.gz AUZXATMFFINLIF-UQPPLGOBSA-N 1 3 323.485 0.678 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1)N(C)C ZINC000972353445 658606315 /nfs/dbraw/zinc/60/63/15/658606315.db2.gz GQVALLYDQIBYDM-HOTGVXAUSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1)N(C)C ZINC000972353445 658606318 /nfs/dbraw/zinc/60/63/18/658606318.db2.gz GQVALLYDQIBYDM-HOTGVXAUSA-N 1 3 321.469 0.836 20 0 DCADHO COCCN1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438924 658624135 /nfs/dbraw/zinc/62/41/35/658624135.db2.gz ZVEBWZWIRCOZBD-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891403481 658708107 /nfs/dbraw/zinc/70/81/07/658708107.db2.gz QTHVWHHXTOANPZ-KBPBESRZSA-N 1 3 310.442 0.539 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047511 658725634 /nfs/dbraw/zinc/72/56/34/658725634.db2.gz FXLPPEYCNVQNEW-MGPQQGTHSA-N 1 3 320.441 0.295 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047511 658725638 /nfs/dbraw/zinc/72/56/38/658725638.db2.gz FXLPPEYCNVQNEW-MGPQQGTHSA-N 1 3 320.441 0.295 20 0 DCADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047860 658726405 /nfs/dbraw/zinc/72/64/05/658726405.db2.gz PWMHEACJOKRJDZ-IHRRRGAJSA-N 1 3 306.410 0.980 20 0 DCADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047860 658726407 /nfs/dbraw/zinc/72/64/07/658726407.db2.gz PWMHEACJOKRJDZ-IHRRRGAJSA-N 1 3 306.410 0.980 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001021093089 658752103 /nfs/dbraw/zinc/75/21/03/658752103.db2.gz YXTTVSXZQNMRLF-KKUMJFAQSA-N 1 3 320.441 0.389 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000892530715 658826866 /nfs/dbraw/zinc/82/68/66/658826866.db2.gz VUTJNLAFOIADSX-INIZCTEOSA-N 1 3 320.437 0.532 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001022120542 658877726 /nfs/dbraw/zinc/87/77/26/658877726.db2.gz NLSHEHBCAQSLPU-FZKCQIBNSA-N 1 3 307.438 0.887 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891513539 658897912 /nfs/dbraw/zinc/89/79/12/658897912.db2.gz DNKSPZUSTFHASG-KBXIAJHMSA-N 1 3 308.426 0.386 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891513363 658898405 /nfs/dbraw/zinc/89/84/05/658898405.db2.gz AZFYUESWDOSBJT-RRFJBIMHSA-N 1 3 324.469 0.927 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1)C1CC1 ZINC000999372692 665634853 /nfs/dbraw/zinc/63/48/53/665634853.db2.gz OUJMIRROQLABFM-ZBFHGGJFSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000999363935 665637031 /nfs/dbraw/zinc/63/70/31/665637031.db2.gz KYJOTQFJYJEMBU-TZMCWYRMSA-N 1 3 310.442 0.315 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027170072 659050731 /nfs/dbraw/zinc/05/07/31/659050731.db2.gz BPPNJQQDKVCXSY-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027170072 659050738 /nfs/dbraw/zinc/05/07/38/659050738.db2.gz BPPNJQQDKVCXSY-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027171009 659057269 /nfs/dbraw/zinc/05/72/69/659057269.db2.gz SKABZCFIFQBMCT-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1cc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027171009 659057275 /nfs/dbraw/zinc/05/72/75/659057275.db2.gz SKABZCFIFQBMCT-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)C1 ZINC000999402680 665641129 /nfs/dbraw/zinc/64/11/29/665641129.db2.gz IUDRENLOYCEJLD-VQCLRJIVSA-N 1 3 319.453 0.841 20 0 DCADHO CCn1ccnc1CNC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027215351 659084961 /nfs/dbraw/zinc/08/49/61/659084961.db2.gz HELQHGLIHJKCQV-GJZGRUSLSA-N 1 3 319.453 0.793 20 0 DCADHO CCn1ccnc1CNC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027215351 659084966 /nfs/dbraw/zinc/08/49/66/659084966.db2.gz HELQHGLIHJKCQV-GJZGRUSLSA-N 1 3 319.453 0.793 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001027215989 659086406 /nfs/dbraw/zinc/08/64/06/659086406.db2.gz PUQXSPGKQZJXRU-QWHCGFSZSA-N 1 3 306.414 0.003 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001027215989 659086413 /nfs/dbraw/zinc/08/64/13/659086413.db2.gz PUQXSPGKQZJXRU-QWHCGFSZSA-N 1 3 306.414 0.003 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001027215990 659086535 /nfs/dbraw/zinc/08/65/35/659086535.db2.gz PUQXSPGKQZJXRU-STQMWFEESA-N 1 3 306.414 0.003 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001027215990 659086537 /nfs/dbraw/zinc/08/65/37/659086537.db2.gz PUQXSPGKQZJXRU-STQMWFEESA-N 1 3 306.414 0.003 20 0 DCADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC000999407023 665642287 /nfs/dbraw/zinc/64/22/87/665642287.db2.gz CEFLSGRCOZWAOO-PNESKVBLSA-N 1 3 310.442 0.171 20 0 DCADHO CC[N@H+](CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000892663089 659100467 /nfs/dbraw/zinc/10/04/67/659100467.db2.gz RZIWFGVKHPZCBE-JKSUJKDBSA-N 1 3 324.469 0.711 20 0 DCADHO CC[N@@H+](CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000892663089 659100469 /nfs/dbraw/zinc/10/04/69/659100469.db2.gz RZIWFGVKHPZCBE-JKSUJKDBSA-N 1 3 324.469 0.711 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC000999489018 665653162 /nfs/dbraw/zinc/65/31/62/665653162.db2.gz IGWVTBIMOBPCSU-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@@H](CO)CN2CCCCC2)CC1 ZINC000935915068 659222263 /nfs/dbraw/zinc/22/22/63/659222263.db2.gz MUKGDHRUOAJVDT-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCN(OC)C3=O)CC2)CC1 ZINC000930750118 659287909 /nfs/dbraw/zinc/28/79/09/659287909.db2.gz FVNZLDFOBKMBFJ-INIZCTEOSA-N 1 3 324.469 0.641 20 0 DCADHO CCN1CCC([N@H+]2CCCN([C@H]3CCN(OC)C3=O)CC2)CC1 ZINC000930750118 659287914 /nfs/dbraw/zinc/28/79/14/659287914.db2.gz FVNZLDFOBKMBFJ-INIZCTEOSA-N 1 3 324.469 0.641 20 0 DCADHO CC1CCN(CC(=O)N(C)C2CC([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC000999599062 665662856 /nfs/dbraw/zinc/66/28/56/665662856.db2.gz QAAIWJZIRWCXKG-YMAMQOFZSA-N 1 3 322.453 0.186 20 0 DCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000925601722 659321013 /nfs/dbraw/zinc/32/10/13/659321013.db2.gz NGPOWBNEYLFDNA-RDBSUJKOSA-N 1 3 315.483 0.777 20 0 DCADHO CC[C@H]([NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1)C(N)=O ZINC001026598645 659407621 /nfs/dbraw/zinc/40/76/21/659407621.db2.gz RDYIGMKQNJHNQM-BPCQOVAHSA-N 1 3 321.425 0.542 20 0 DCADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000921686246 665673698 /nfs/dbraw/zinc/67/36/98/665673698.db2.gz PSTWNYTUCGGPQE-HNNXBMFYSA-N 1 3 321.469 0.777 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892788892 659457688 /nfs/dbraw/zinc/45/76/88/659457688.db2.gz KYPZYOKUUCYSMK-VXKCQOAXSA-N 1 3 300.406 0.834 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892803924 659461818 /nfs/dbraw/zinc/46/18/18/659461818.db2.gz PAHPGEKQSCTYGG-RDJZCZTQSA-N 1 3 320.437 0.313 20 0 DCADHO CN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[N@H+](C)C1 ZINC000892819969 659469962 /nfs/dbraw/zinc/46/99/62/659469962.db2.gz UGWJBSGPSCBOSH-ZNMIVQPWSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[N@@H+](C)C1 ZINC000892819969 659469965 /nfs/dbraw/zinc/46/99/65/659469965.db2.gz UGWJBSGPSCBOSH-ZNMIVQPWSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCCN(C)C1 ZINC000892819969 659469968 /nfs/dbraw/zinc/46/99/68/659469968.db2.gz UGWJBSGPSCBOSH-ZNMIVQPWSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCCN(C)C1 ZINC000892819969 659469971 /nfs/dbraw/zinc/46/99/71/659469971.db2.gz UGWJBSGPSCBOSH-ZNMIVQPWSA-N 1 3 310.442 0.585 20 0 DCADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)nn1C ZINC001026732818 659489067 /nfs/dbraw/zinc/48/90/67/659489067.db2.gz FWYYAKCZVIXIEY-ZBFHGGJFSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026733183 659489585 /nfs/dbraw/zinc/48/95/85/659489585.db2.gz ITOJELMNGKEOCP-ZBFHGGJFSA-N 1 3 319.453 0.761 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001026733053 659489960 /nfs/dbraw/zinc/48/99/60/659489960.db2.gz HHWBRDLDAAPDDK-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO CCO[C@H](CCN(C)C)C[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893366553 659508886 /nfs/dbraw/zinc/50/88/86/659508886.db2.gz DJOBDHZDZDQNFI-HZSPNIEDSA-N 1 3 306.472 0.756 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999766253 665681576 /nfs/dbraw/zinc/68/15/76/665681576.db2.gz RYZKMGJBOKSBOM-IOSBVQAASA-N 1 3 311.401 0.400 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025808941 659568319 /nfs/dbraw/zinc/56/83/19/659568319.db2.gz BUXRXQBYHDXHPQ-UUAJXVIYSA-N 1 3 321.465 0.944 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025808941 659568321 /nfs/dbraw/zinc/56/83/21/659568321.db2.gz BUXRXQBYHDXHPQ-UUAJXVIYSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001026901250 659630234 /nfs/dbraw/zinc/63/02/34/659630234.db2.gz LVYVFFZHCKYGPR-ZBFHGGJFSA-N 1 3 321.469 0.944 20 0 DCADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999833672 665695983 /nfs/dbraw/zinc/69/59/83/665695983.db2.gz BLBSBCSSRYVQMB-IYXRBSQSSA-N 1 3 320.441 0.329 20 0 DCADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999833672 665695984 /nfs/dbraw/zinc/69/59/84/665695984.db2.gz BLBSBCSSRYVQMB-IYXRBSQSSA-N 1 3 320.441 0.329 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]32)C1 ZINC001026043586 659760293 /nfs/dbraw/zinc/76/02/93/659760293.db2.gz PTPXZBCQDSHNJC-OCABDXPQSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@H]32)C1 ZINC001026043586 659760295 /nfs/dbraw/zinc/76/02/95/659760295.db2.gz PTPXZBCQDSHNJC-OCABDXPQSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001027063722 659761150 /nfs/dbraw/zinc/76/11/50/659761150.db2.gz QKTGYHWEMXAPDI-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001027063722 659761155 /nfs/dbraw/zinc/76/11/55/659761155.db2.gz QKTGYHWEMXAPDI-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001027065279 659763209 /nfs/dbraw/zinc/76/32/09/659763209.db2.gz VINQFVFEHANOQV-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000999869919 665704352 /nfs/dbraw/zinc/70/43/52/665704352.db2.gz JJKDCUZWOCLQCZ-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000999869919 665704354 /nfs/dbraw/zinc/70/43/54/665704354.db2.gz JJKDCUZWOCLQCZ-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091087 659797420 /nfs/dbraw/zinc/79/74/20/659797420.db2.gz CZJPXAJRLVDFCR-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001000184328 665766443 /nfs/dbraw/zinc/76/64/43/665766443.db2.gz MVHAJUYYOKDQMU-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001000195614 665770929 /nfs/dbraw/zinc/77/09/29/665770929.db2.gz YKDHIVPAUPTACV-HZPDHXFCSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001000198074 665773169 /nfs/dbraw/zinc/77/31/69/665773169.db2.gz KIRUOGBRRDYZNQ-HUUCEWRRSA-N 1 3 320.441 0.201 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1 ZINC000982552677 661565163 /nfs/dbraw/zinc/56/51/63/661565163.db2.gz BDWRCZWXUMYTQT-OIISXLGYSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1 ZINC000982552677 661565164 /nfs/dbraw/zinc/56/51/64/661565164.db2.gz BDWRCZWXUMYTQT-OIISXLGYSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554320 661565696 /nfs/dbraw/zinc/56/56/96/661565696.db2.gz VHENSYFSMONLFE-CIRFHOKZSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554320 661565697 /nfs/dbraw/zinc/56/56/97/661565697.db2.gz VHENSYFSMONLFE-CIRFHOKZSA-N 1 3 323.481 0.879 20 0 DCADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)O)C[C@]2(C)C1)N(C)C ZINC000982561590 661569159 /nfs/dbraw/zinc/56/91/59/661569159.db2.gz VOLHWUDFZVWWLN-WTTBNOFXSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)O)C[C@]2(C)C1)N(C)C ZINC000982561590 661569161 /nfs/dbraw/zinc/56/91/61/661569161.db2.gz VOLHWUDFZVWWLN-WTTBNOFXSA-N 1 3 311.470 0.878 20 0 DCADHO CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC000982926992 661719885 /nfs/dbraw/zinc/71/98/85/661719885.db2.gz HEVDEDVATKNVCJ-AWEZNQCLSA-N 1 3 306.410 0.959 20 0 DCADHO Cn1nccc1CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000311817 665820358 /nfs/dbraw/zinc/82/03/58/665820358.db2.gz KGMJFOSVQNRPHS-CYBMUJFWSA-N 1 3 316.409 0.509 20 0 DCADHO CC1CCN(CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262133170 662103167 /nfs/dbraw/zinc/10/31/67/662103167.db2.gz GQOOVMMDCMFCHC-UHFFFAOYSA-N 1 3 319.453 0.810 20 0 DCADHO C[C@@H](CC[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)N(C)C ZINC000895428471 662183820 /nfs/dbraw/zinc/18/38/20/662183820.db2.gz GXROFEBALYXTPC-STQMWFEESA-N 1 3 305.488 0.976 20 0 DCADHO Cc1nccn1CCCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000727865140 662257429 /nfs/dbraw/zinc/25/74/29/662257429.db2.gz BKJAPYALWLKDTB-CQSZACIVSA-N 1 3 307.442 0.724 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000984799686 662316078 /nfs/dbraw/zinc/31/60/78/662316078.db2.gz IRCVUXQZTGUEEE-RBSFLKMASA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC000985118793 662369557 /nfs/dbraw/zinc/36/95/57/662369557.db2.gz DNVFWRXIGRKJNA-XQLPTFJDSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC000985118793 662369560 /nfs/dbraw/zinc/36/95/60/662369560.db2.gz DNVFWRXIGRKJNA-XQLPTFJDSA-N 1 3 317.437 0.974 20 0 DCADHO CCn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000985121053 662370602 /nfs/dbraw/zinc/37/06/02/662370602.db2.gz BGBPEZWCSOHABG-IIAWOOMASA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985121053 662370604 /nfs/dbraw/zinc/37/06/04/662370604.db2.gz BGBPEZWCSOHABG-IIAWOOMASA-N 1 3 319.453 0.839 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1)C1CC1 ZINC000985470151 662463541 /nfs/dbraw/zinc/46/35/41/662463541.db2.gz MEHZDHPFOZJRDK-HUUCEWRRSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1)C1CC1 ZINC000985470151 662463542 /nfs/dbraw/zinc/46/35/42/662463542.db2.gz MEHZDHPFOZJRDK-HUUCEWRRSA-N 1 3 322.453 0.138 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1 ZINC000320735748 662499389 /nfs/dbraw/zinc/49/93/89/662499389.db2.gz OJQRLXWOAGJHEM-KBPBESRZSA-N 1 3 319.405 0.613 20 0 DCADHO C[C@@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360456 662672273 /nfs/dbraw/zinc/67/22/73/662672273.db2.gz VCEXWAHNHWZLTL-HIFRSBDPSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC000987520410 662685566 /nfs/dbraw/zinc/68/55/66/662685566.db2.gz RZWJHSVMXVGNCO-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001030019344 662855076 /nfs/dbraw/zinc/85/50/76/662855076.db2.gz ZJHZQQJRJYWMGD-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCn2cccn2)CN1C(=O)Cc1c[nH]cn1 ZINC000989491214 662953409 /nfs/dbraw/zinc/95/34/09/662953409.db2.gz DVTNXIYKZSIJQL-GXTWGEPZSA-N 1 3 302.382 0.428 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)CN1C(=O)CN1CCCC1 ZINC000989800969 662978330 /nfs/dbraw/zinc/97/83/30/662978330.db2.gz WIPJOOWPVQWWNA-ZIAGYGMSSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989826120 662982440 /nfs/dbraw/zinc/98/24/40/662982440.db2.gz MSICGANWGWNYKP-CZUORRHYSA-N 1 3 305.422 0.933 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001030021648 663088710 /nfs/dbraw/zinc/08/87/10/663088710.db2.gz OKCAQAAJWUOVFG-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001030021643 663088738 /nfs/dbraw/zinc/08/87/38/663088738.db2.gz KMDADEJEYZBWIZ-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H](N2CCCC2)C1 ZINC000111236376 663151483 /nfs/dbraw/zinc/15/14/83/663151483.db2.gz BNPGQSLFWRTFOP-AWEZNQCLSA-N 1 3 301.456 0.486 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900338784 663235248 /nfs/dbraw/zinc/23/52/48/663235248.db2.gz ICKOXDMOEFEJAB-UHFFFAOYSA-N 1 3 315.421 0.868 20 0 DCADHO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)nc[n-]1 ZINC000902504043 663416342 /nfs/dbraw/zinc/41/63/42/663416342.db2.gz ZTPYVPUAGWCFLM-RQJABVFESA-N 1 3 303.410 0.739 20 0 DCADHO CC(C)(CO)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739525 663478780 /nfs/dbraw/zinc/47/87/80/663478780.db2.gz LJLAGMTVMREIAZ-HNNXBMFYSA-N 1 3 311.470 0.534 20 0 DCADHO CN(C)C(=O)N(C)[C@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766089 663480910 /nfs/dbraw/zinc/48/09/10/663480910.db2.gz OFSRVBRJVXEDCL-GJZGRUSLSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C)C(=O)N(C)[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767097 663480952 /nfs/dbraw/zinc/48/09/52/663480952.db2.gz UASGAJGSMNJQBP-IIAWOOMASA-N 1 3 310.442 0.443 20 0 DCADHO CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903816342 663485544 /nfs/dbraw/zinc/48/55/44/663485544.db2.gz YLRMCZDUTGLNCV-ZDUSSCGKSA-N 1 3 303.472 0.909 20 0 DCADHO CNS(=O)(=O)CCC[N@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903816342 663485545 /nfs/dbraw/zinc/48/55/45/663485545.db2.gz YLRMCZDUTGLNCV-ZDUSSCGKSA-N 1 3 303.472 0.909 20 0 DCADHO CO[C@@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000903939523 663495546 /nfs/dbraw/zinc/49/55/46/663495546.db2.gz IGNCMQHDDNLKJT-YPMHNXCESA-N 1 3 323.359 0.837 20 0 DCADHO CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000903939523 663495547 /nfs/dbraw/zinc/49/55/47/663495547.db2.gz IGNCMQHDDNLKJT-YPMHNXCESA-N 1 3 323.359 0.837 20 0 DCADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNCCCOC[C@@H]1CCCO1 ZINC000903922415 663495556 /nfs/dbraw/zinc/49/55/56/663495556.db2.gz WVEFARGYJNXSCT-ZBFHGGJFSA-N 1 3 323.441 0.878 20 0 DCADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNCCCOC[C@H]1CCCO1 ZINC000903922413 663495575 /nfs/dbraw/zinc/49/55/75/663495575.db2.gz WVEFARGYJNXSCT-GOEBONIOSA-N 1 3 323.441 0.878 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCN(C[C@@H](C)O)C[C@H]2C)cnn1C ZINC000903927353 663496136 /nfs/dbraw/zinc/49/61/36/663496136.db2.gz RFKGAZGMAOXDGL-IIAWOOMASA-N 1 3 323.485 0.233 20 0 DCADHO Cn1ccc([C@@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000903987990 663499991 /nfs/dbraw/zinc/49/99/91/663499991.db2.gz LYYATTXUSGXFFM-HUUCEWRRSA-N 1 3 319.453 0.797 20 0 DCADHO Cn1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000903987990 663499992 /nfs/dbraw/zinc/49/99/92/663499992.db2.gz LYYATTXUSGXFFM-HUUCEWRRSA-N 1 3 319.453 0.797 20 0 DCADHO NC(=O)c1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904381509 663511812 /nfs/dbraw/zinc/51/18/12/663511812.db2.gz XCCGANXXJJYEPM-BJHJDKERSA-N 1 3 306.385 0.784 20 0 DCADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)C2 ZINC000904996165 663522458 /nfs/dbraw/zinc/52/24/58/663522458.db2.gz WICADLQQHXQPLS-XQLPTFJDSA-N 1 3 320.437 0.021 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)C1(O)CCOCC1 ZINC000905154310 663534031 /nfs/dbraw/zinc/53/40/31/663534031.db2.gz JJGQGLCNKXGVQV-INIZCTEOSA-N 1 3 312.454 0.885 20 0 DCADHO CN1CCN(CC[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1(C)C ZINC000905245087 663542000 /nfs/dbraw/zinc/54/20/00/663542000.db2.gz BOMQOAFIAIGVAQ-HNNXBMFYSA-N 1 3 313.486 0.658 20 0 DCADHO CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000941344035 665978395 /nfs/dbraw/zinc/97/83/95/665978395.db2.gz BAKLAYIKGIIOLF-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@@H]1CC[C@H](CN2CC(CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001031947234 665984176 /nfs/dbraw/zinc/98/41/76/665984176.db2.gz DQSUMOPVRCKKLP-CZUORRHYSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911027508 663968992 /nfs/dbraw/zinc/96/89/92/663968992.db2.gz CQORHIRCUCSPEE-XQLPTFJDSA-N 1 3 324.469 0.467 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911205821 664004737 /nfs/dbraw/zinc/00/47/37/664004737.db2.gz CGOBXXJZKOGQEL-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324632 664028074 /nfs/dbraw/zinc/02/80/74/664028074.db2.gz HWWKBYBRPVXFHS-ILXRZTDVSA-N 1 3 322.453 0.317 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000911529621 664068789 /nfs/dbraw/zinc/06/87/89/664068789.db2.gz DVNHMPSFDBOHFX-UHFFFAOYSA-N 1 3 310.442 0.032 20 0 DCADHO CCCN(C(=O)C(=O)NCCN1CCC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000911533241 664070360 /nfs/dbraw/zinc/07/03/60/664070360.db2.gz OEACXVBTSPKKJL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911537598 664080791 /nfs/dbraw/zinc/08/07/91/664080791.db2.gz KFBPRHRAUNKSKF-BFHYXJOUSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc3c(c2)OCCNC3)CCO1 ZINC000911885057 664119521 /nfs/dbraw/zinc/11/95/21/664119521.db2.gz TVZDLTLKIOWHOX-IAQYHMDHSA-N 1 3 305.378 0.357 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3c(c2)OCCNC3)CCO1 ZINC000911885058 664119587 /nfs/dbraw/zinc/11/95/87/664119587.db2.gz TVZDLTLKIOWHOX-NHYWBVRUSA-N 1 3 305.378 0.357 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000991477719 664359505 /nfs/dbraw/zinc/35/95/05/664359505.db2.gz HLORKZOBVBDZHA-LSDHHAIUSA-N 1 3 322.453 0.280 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000991477719 664359509 /nfs/dbraw/zinc/35/95/09/664359509.db2.gz HLORKZOBVBDZHA-LSDHHAIUSA-N 1 3 322.453 0.280 20 0 DCADHO CCN(CC)[C@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000111610848 664685068 /nfs/dbraw/zinc/68/50/68/664685068.db2.gz VTBMSYAZPIQTRZ-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCN1CC[C@@H](O)C1 ZINC000863236032 667120745 /nfs/dbraw/zinc/12/07/45/667120745.db2.gz DWWJIHVBBAXVBT-QWHCGFSZSA-N 1 3 300.472 0.001 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCN1CC[C@@H](O)C1 ZINC000863236032 667120746 /nfs/dbraw/zinc/12/07/46/667120746.db2.gz DWWJIHVBBAXVBT-QWHCGFSZSA-N 1 3 300.472 0.001 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000732889587 664970275 /nfs/dbraw/zinc/97/02/75/664970275.db2.gz AZFQEODKXGPXAX-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000732889587 664970276 /nfs/dbraw/zinc/97/02/76/664970276.db2.gz AZFQEODKXGPXAX-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000993870727 665015445 /nfs/dbraw/zinc/01/54/45/665015445.db2.gz PHTFSHOMQVLCOA-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000993870727 665015447 /nfs/dbraw/zinc/01/54/47/665015447.db2.gz PHTFSHOMQVLCOA-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[C@H]1CN1CCCC1 ZINC000923598089 665062764 /nfs/dbraw/zinc/06/27/64/665062764.db2.gz HUZIGLDDIHJADH-KBPBESRZSA-N 1 3 301.456 0.628 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000938320008 665335278 /nfs/dbraw/zinc/33/52/78/665335278.db2.gz QKDHJFGBAMGTDO-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000938320008 665335280 /nfs/dbraw/zinc/33/52/80/665335280.db2.gz QKDHJFGBAMGTDO-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000941687563 666042691 /nfs/dbraw/zinc/04/26/91/666042691.db2.gz CTWBTTOHXHZXHT-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2=CCN(CCn3cccn3)CC2)C1 ZINC001001446187 666058492 /nfs/dbraw/zinc/05/84/92/666058492.db2.gz JSAOSQBGIBZCEX-INIZCTEOSA-N 1 3 317.437 0.583 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2=CCN(CCn3cccn3)CC2)C1 ZINC001001446187 666058493 /nfs/dbraw/zinc/05/84/93/666058493.db2.gz JSAOSQBGIBZCEX-INIZCTEOSA-N 1 3 317.437 0.583 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003625514 666335737 /nfs/dbraw/zinc/33/57/37/666335737.db2.gz HJOSEGCCOZKUJH-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@@H](O)C3CCCCC3)C2)C1 ZINC001032186779 666392563 /nfs/dbraw/zinc/39/25/63/666392563.db2.gz WSFVEXPFZZJUDV-DLBZAZTESA-N 1 3 323.481 0.927 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(C[C@@H](O)C3CCCCC3)C2)C1 ZINC001032186779 666392564 /nfs/dbraw/zinc/39/25/64/666392564.db2.gz WSFVEXPFZZJUDV-DLBZAZTESA-N 1 3 323.481 0.927 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)CCC1 ZINC000946623917 666556953 /nfs/dbraw/zinc/55/69/53/666556953.db2.gz UFJSWTZDKXPTFS-GASCZTMLSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)CCC1 ZINC000946623917 666556954 /nfs/dbraw/zinc/55/69/54/666556954.db2.gz UFJSWTZDKXPTFS-GASCZTMLSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CCN(CCCO)C2)C1 ZINC001033141368 666559574 /nfs/dbraw/zinc/55/95/74/666559574.db2.gz FCOOEWSIOJUDED-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CCN(CCCO)C2)C1 ZINC001033141368 666559576 /nfs/dbraw/zinc/55/95/76/666559576.db2.gz FCOOEWSIOJUDED-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995878234 666716554 /nfs/dbraw/zinc/71/65/54/666716554.db2.gz DMMXRFAEKXYKSZ-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995878234 666716556 /nfs/dbraw/zinc/71/65/56/666716556.db2.gz DMMXRFAEKXYKSZ-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+][C@@H]3CCNC3=O)C(C)(C)C2)CCC1 ZINC000995887402 666719306 /nfs/dbraw/zinc/71/93/06/666719306.db2.gz OTHFMCVGYMXRJD-CHWSQXEVSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C)C(N)=O ZINC000995916602 666722030 /nfs/dbraw/zinc/72/20/30/666722030.db2.gz IXZGLXGUWDHPKB-WCQYABFASA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C)C(N)=O ZINC000995996987 666728809 /nfs/dbraw/zinc/72/88/09/666728809.db2.gz OAOLPXZEMINRQZ-QWHCGFSZSA-N 1 3 322.453 0.315 20 0 DCADHO CN1CCC(NC(=S)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000733754488 666816248 /nfs/dbraw/zinc/81/62/48/666816248.db2.gz TZDLVPIGXHPWKI-UHFFFAOYSA-N 1 3 314.499 0.656 20 0 DCADHO Cn1cncc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996617754 666838209 /nfs/dbraw/zinc/83/82/09/666838209.db2.gz WFUZURDCXLPBMQ-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cncc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996617754 666838211 /nfs/dbraw/zinc/83/82/11/666838211.db2.gz WFUZURDCXLPBMQ-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1)C1CC1 ZINC000996678531 666857798 /nfs/dbraw/zinc/85/77/98/666857798.db2.gz OBDYPVJQAYQPGW-LSDHHAIUSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996997671 667063061 /nfs/dbraw/zinc/06/30/61/667063061.db2.gz FJMZCOUDOCTKES-AWEZNQCLSA-N 1 3 320.441 0.343 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000997008640 667071948 /nfs/dbraw/zinc/07/19/48/667071948.db2.gz WBEYVHAUBJINAE-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034881698 667168191 /nfs/dbraw/zinc/16/81/91/667168191.db2.gz MJROVBHQSWTZDX-CABCVRRESA-N 1 3 305.426 0.595 20 0 DCADHO O=C(N1CCC[C@@H]1CN[C@@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001034981512 667203009 /nfs/dbraw/zinc/20/30/09/667203009.db2.gz BFIYAVRUYAUACZ-ZIAGYGMSSA-N 1 3 320.437 0.084 20 0 DCADHO CCn1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300497 667233555 /nfs/dbraw/zinc/23/35/55/667233555.db2.gz WGQPKSAACAUURA-CQSZACIVSA-N 1 3 319.453 0.935 20 0 DCADHO CCn1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300497 667233558 /nfs/dbraw/zinc/23/35/58/667233558.db2.gz WGQPKSAACAUURA-CQSZACIVSA-N 1 3 319.453 0.935 20 0 DCADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CCN(CCO)CC1 ZINC001005772037 667244426 /nfs/dbraw/zinc/24/44/26/667244426.db2.gz DVTCJMFHPWBLEP-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@H]2CCCCO2)CC1 ZINC000866669135 667385996 /nfs/dbraw/zinc/38/59/96/667385996.db2.gz RDPCVSXOGOMBLB-QLFBSQMISA-N 1 3 309.410 0.813 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035739331 667405867 /nfs/dbraw/zinc/40/58/67/667405867.db2.gz WQKPUMGLQUTMBZ-OAHLLOKOSA-N 1 3 321.465 0.920 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036196817 667429366 /nfs/dbraw/zinc/42/93/66/667429366.db2.gz WAVVJTIEJMRTBC-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000923262165 667485774 /nfs/dbraw/zinc/48/57/74/667485774.db2.gz LPQKVOUSFMOUIO-KGLIPLIRSA-N 1 3 305.426 0.753 20 0 DCADHO CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923376171 667519891 /nfs/dbraw/zinc/51/98/91/667519891.db2.gz VAHLYYUBGHCHIA-CABCVRRESA-N 1 3 311.430 0.407 20 0 DCADHO CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923376171 667519893 /nfs/dbraw/zinc/51/98/93/667519893.db2.gz VAHLYYUBGHCHIA-CABCVRRESA-N 1 3 311.430 0.407 20 0 DCADHO CC(C)CC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416793 667527777 /nfs/dbraw/zinc/52/77/77/667527777.db2.gz ZVFDLUWZSBRCEA-YJNKXOJESA-N 1 3 311.426 0.650 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)nn1 ZINC000923411041 667529633 /nfs/dbraw/zinc/52/96/33/667529633.db2.gz MLWFPFCLBPLLGS-IAGOWNOFSA-N 1 3 315.421 0.977 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](C[C@H](O)CCc3ccccc3)C2)nn1 ZINC000923411041 667529635 /nfs/dbraw/zinc/52/96/35/667529635.db2.gz MLWFPFCLBPLLGS-IAGOWNOFSA-N 1 3 315.421 0.977 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000923496099 667545879 /nfs/dbraw/zinc/54/58/79/667545879.db2.gz GOKFTDGIKQHUHK-BPLDGKMQSA-N 1 3 310.442 0.030 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC(=O)NCc2cccs2)C1 ZINC000923488969 667546370 /nfs/dbraw/zinc/54/63/70/667546370.db2.gz VDEQVKRIHQIOSK-LLVKDONJSA-N 1 3 310.423 0.745 20 0 DCADHO Cc1cc(=O)n2nc(CN3CC[C@H](C[NH3+])[C@H](C)C3)sc2n1 ZINC000923497782 667548462 /nfs/dbraw/zinc/54/84/62/667548462.db2.gz DVNPTJZJERTPIT-MWLCHTKSSA-N 1 3 307.423 0.876 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC000884471321 667550538 /nfs/dbraw/zinc/55/05/38/667550538.db2.gz RTQLSCCJHCGRLF-HNNXBMFYSA-N 1 3 308.470 0.470 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884617384 667576317 /nfs/dbraw/zinc/57/63/17/667576317.db2.gz LNGQVMGIPCLWIT-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CCC1(C)C ZINC000884672565 667585919 /nfs/dbraw/zinc/58/59/19/667585919.db2.gz WRLBOWRPFLKIEY-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CCC1(C)C ZINC000884681207 667588569 /nfs/dbraw/zinc/58/85/69/667588569.db2.gz NWEIXPWLZZAERE-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNS(=O)(=O)C1CNC1 ZINC000923602669 667617496 /nfs/dbraw/zinc/61/74/96/667617496.db2.gz RIDKCGHXGXXAPR-UHFFFAOYSA-N 1 3 313.423 0.018 20 0 DCADHO COC(=O)c1cc2n(n1)CCC[C@@H]2NCC1(O)CC[NH+](C)CC1 ZINC000886530335 667774679 /nfs/dbraw/zinc/77/46/79/667774679.db2.gz IMECINZXKDSULH-LBPRGKRZSA-N 1 3 322.409 0.551 20 0 DCADHO CN1CCN(C2CCN(C(=O)CC[NH2+]CC3CC3)CC2)CC1 ZINC000870981149 667780403 /nfs/dbraw/zinc/78/04/03/667780403.db2.gz DZLNYXAAIFYGRE-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])CN1CCN(C)CC1 ZINC000872286621 667885847 /nfs/dbraw/zinc/88/58/47/667885847.db2.gz NDEWVBZKRRKCPN-XHSDSOJGSA-N 1 3 310.486 0.894 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=S)NCCC[NH+](C)C ZINC000748151316 667919741 /nfs/dbraw/zinc/91/97/41/667919741.db2.gz LONVRMYQVMXZCS-CQSZACIVSA-N 1 3 316.515 0.855 20 0 DCADHO O=C(N1CC[C@H]2[C@@H]1CCCN2CCO)C12CCC[NH+](CCC1)C2 ZINC000889744361 667986186 /nfs/dbraw/zinc/98/61/86/667986186.db2.gz LVUWQGDKSANCLJ-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000874466336 668192183 /nfs/dbraw/zinc/19/21/83/668192183.db2.gz MHAZGKKQORPQQS-HOTGVXAUSA-N 1 3 310.486 0.716 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000874466336 668192186 /nfs/dbraw/zinc/19/21/86/668192186.db2.gz MHAZGKKQORPQQS-HOTGVXAUSA-N 1 3 310.486 0.716 20 0 DCADHO CN(CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000875124931 668263167 /nfs/dbraw/zinc/26/31/67/668263167.db2.gz BPZJXQLNNPVWAH-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[NH+]1CCC(CCN2C(=O)N[C@H](CN(C)C)C2=O)CC1 ZINC000925040181 668268603 /nfs/dbraw/zinc/26/86/03/668268603.db2.gz KNJOYDYIDGDBAS-CQSZACIVSA-N 1 3 310.442 0.979 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[N@@H+]1C ZINC000875208017 668280601 /nfs/dbraw/zinc/28/06/01/668280601.db2.gz OHYGLOZCPKNDIM-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[N@H+]1C ZINC000875208017 668280602 /nfs/dbraw/zinc/28/06/02/668280602.db2.gz OHYGLOZCPKNDIM-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C2CCC(C)([NH+]3CCC3)CC2)C1=O ZINC000925265453 668287554 /nfs/dbraw/zinc/28/75/54/668287554.db2.gz ZLFIAIXUAQOYDE-UYJPIKCFSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CCCCC3)C2)C1=O ZINC000925333060 668298238 /nfs/dbraw/zinc/29/82/38/668298238.db2.gz YZJIRILNKXXPBV-KBPBESRZSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CCCCC3)C2)C1=O ZINC000925333060 668298243 /nfs/dbraw/zinc/29/82/43/668298243.db2.gz YZJIRILNKXXPBV-KBPBESRZSA-N 1 3 308.426 0.875 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCN1CCCS1(=O)=O ZINC000925358745 668304280 /nfs/dbraw/zinc/30/42/80/668304280.db2.gz GZLAMBRQUOKIOG-PBWFPOADSA-N 1 3 301.456 0.342 20 0 DCADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H](N)C23CCC3)N(c2ccncn2)C1 ZINC000925730808 668343408 /nfs/dbraw/zinc/34/34/08/668343408.db2.gz QHNAGGKRIFCUFI-BYNSBNAKSA-N 1 3 317.437 0.930 20 0 DCADHO Cn1ccn2c(CC[NH2+][C@H]3C[C@H](N)c4ccccc43)nnc2c1=O ZINC000925774332 668347578 /nfs/dbraw/zinc/34/75/78/668347578.db2.gz UPXYEPDKFNYRMM-KBPBESRZSA-N 1 3 324.388 0.705 20 0 DCADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](N)CN(C)C)CC1 ZINC000876713489 668493446 /nfs/dbraw/zinc/49/34/46/668493446.db2.gz KGLNETGCELGBBH-ZDUSSCGKSA-N 1 3 308.430 0.367 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876780395 668509886 /nfs/dbraw/zinc/50/98/86/668509886.db2.gz GODXEKWTLOKIMO-ZIAGYGMSSA-N 1 3 300.422 0.078 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000876920950 668535983 /nfs/dbraw/zinc/53/59/83/668535983.db2.gz GOLXPWPGZFCQQK-UONOGXRCSA-N 1 3 317.368 0.585 20 0 DCADHO Cn1ncc(CN)c1C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877159867 668569861 /nfs/dbraw/zinc/56/98/61/668569861.db2.gz NZJPDYZBGDVALA-AWEZNQCLSA-N 1 3 301.394 0.569 20 0 DCADHO C[C@@H]1[C@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000928449339 668586196 /nfs/dbraw/zinc/58/61/96/668586196.db2.gz QCPPAPOFOFRKQZ-KYJSFNMBSA-N 1 3 317.433 0.832 20 0 DCADHO C[C@@H]1[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000928449339 668586197 /nfs/dbraw/zinc/58/61/97/668586197.db2.gz QCPPAPOFOFRKQZ-KYJSFNMBSA-N 1 3 317.433 0.832 20 0 DCADHO O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1Cc2ccccc2CN1 ZINC000877343709 668605618 /nfs/dbraw/zinc/60/56/18/668605618.db2.gz QYHAOTNUPIJGIT-CABCVRRESA-N 1 3 305.447 0.912 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346467 668606012 /nfs/dbraw/zinc/60/60/12/668606012.db2.gz LBAHENOPZKFLIC-HOTGVXAUSA-N 1 3 303.406 0.586 20 0 DCADHO CN(CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc[nH+]cc1 ZINC000779506038 668911815 /nfs/dbraw/zinc/91/18/15/668911815.db2.gz MTINCNJYQDEHTJ-HZPDHXFCSA-N 1 3 318.421 0.887 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(CCn3cnnn3)CC2)CC1 ZINC000878721621 668915966 /nfs/dbraw/zinc/91/59/66/668915966.db2.gz IWSWAXDZQLQUAB-UHFFFAOYSA-N 1 3 307.446 0.165 20 0 DCADHO CCN1CCC([N@H+]2CCCN(CCn3cnnn3)CC2)CC1 ZINC000878721621 668915970 /nfs/dbraw/zinc/91/59/70/668915970.db2.gz IWSWAXDZQLQUAB-UHFFFAOYSA-N 1 3 307.446 0.165 20 0 DCADHO CCn1cc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)nn1 ZINC000930119120 668962467 /nfs/dbraw/zinc/96/24/67/668962467.db2.gz OPLVZNJVLKNIBU-INIZCTEOSA-N 1 3 306.458 0.898 20 0 DCADHO C[C@@H]1CN(CCO[C@@H]2CCOC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930135276 668965873 /nfs/dbraw/zinc/96/58/73/668965873.db2.gz CZHJFKXKBGGQCP-BRWVUGGUSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CC[C@H]1N1CCN(C)CC1 ZINC000930135276 668965877 /nfs/dbraw/zinc/96/58/77/668965877.db2.gz CZHJFKXKBGGQCP-BRWVUGGUSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CC[C@H]1N1CCN(C)CC1 ZINC000930135276 668965880 /nfs/dbraw/zinc/96/58/80/668965880.db2.gz CZHJFKXKBGGQCP-BRWVUGGUSA-N 1 3 311.470 0.750 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000879417567 669032053 /nfs/dbraw/zinc/03/20/53/669032053.db2.gz BJUGUXNSTKTGIV-PMPSAXMXSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000879993876 669142684 /nfs/dbraw/zinc/14/26/84/669142684.db2.gz WFVVYSGNOWLFIT-CJNGLKHVSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000879993876 669142688 /nfs/dbraw/zinc/14/26/88/669142688.db2.gz WFVVYSGNOWLFIT-CJNGLKHVSA-N 1 3 315.433 0.772 20 0 DCADHO CN1C[C@]2(C)C[N@H+](CCC(=O)N3CCN(C)CC3)C[C@]2(C)C1 ZINC000931314420 669177510 /nfs/dbraw/zinc/17/75/10/669177510.db2.gz OJPKZYCKCSDHGH-CALCHBBNSA-N 1 3 308.470 0.424 20 0 DCADHO CN1C[C@]2(C)C[N@@H+](CCC(=O)N3CCN(C)CC3)C[C@]2(C)C1 ZINC000931314420 669177513 /nfs/dbraw/zinc/17/75/13/669177513.db2.gz OJPKZYCKCSDHGH-CALCHBBNSA-N 1 3 308.470 0.424 20 0 DCADHO CN1CCN(C(=O)CCN2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000931314420 669177519 /nfs/dbraw/zinc/17/75/19/669177519.db2.gz OJPKZYCKCSDHGH-CALCHBBNSA-N 1 3 308.470 0.424 20 0 DCADHO CN1CCN(C(=O)CCN2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000931314420 669177522 /nfs/dbraw/zinc/17/75/22/669177522.db2.gz OJPKZYCKCSDHGH-CALCHBBNSA-N 1 3 308.470 0.424 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585336 669242668 /nfs/dbraw/zinc/24/26/68/669242668.db2.gz PVWNZUIPELAQBQ-CABCVRRESA-N 1 3 300.443 0.551 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585336 669242669 /nfs/dbraw/zinc/24/26/69/669242669.db2.gz PVWNZUIPELAQBQ-CABCVRRESA-N 1 3 300.443 0.551 20 0 DCADHO C[C@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000881024372 669287662 /nfs/dbraw/zinc/28/76/62/669287662.db2.gz ZGLXNFKFSDDWEB-SWLSCSKDSA-N 1 3 316.409 0.717 20 0 DCADHO C[NH+]1CCC(NC(=O)Cn2cc([C@H](N)C(C)(C)C)nn2)CC1 ZINC000881331040 669324405 /nfs/dbraw/zinc/32/44/05/669324405.db2.gz XWNYFORCTLUDDE-AWEZNQCLSA-N 1 3 308.430 0.534 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793715301 669737668 /nfs/dbraw/zinc/73/76/68/669737668.db2.gz XTUFJMJNIMTAPE-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000811063857 670504945 /nfs/dbraw/zinc/50/49/45/670504945.db2.gz NUXXLOXOGXGBMU-HUUCEWRRSA-N 1 3 301.406 0.382 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000811063857 670504947 /nfs/dbraw/zinc/50/49/47/670504947.db2.gz NUXXLOXOGXGBMU-HUUCEWRRSA-N 1 3 301.406 0.382 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000848615023 670706437 /nfs/dbraw/zinc/70/64/37/670706437.db2.gz ZEQFPKGNUSNYGA-LSDHHAIUSA-N 1 3 324.469 0.755 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC(F)(F)F ZINC000848994813 670746942 /nfs/dbraw/zinc/74/69/42/670746942.db2.gz CCALRVYGJOPWKZ-SECBINFHSA-N 1 3 309.336 0.263 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000848994477 670747134 /nfs/dbraw/zinc/74/71/34/670747134.db2.gz LAKOSSBCRKSHPA-HUUCEWRRSA-N 1 3 311.474 0.505 20 0 DCADHO CCNS(=O)(=O)CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000850129867 670884096 /nfs/dbraw/zinc/88/40/96/670884096.db2.gz AIWSFYMFPHVJHS-UHFFFAOYSA-N 1 3 309.395 0.296 20 0 DCADHO CCNS(=O)(=O)CC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000850129867 670884105 /nfs/dbraw/zinc/88/41/05/670884105.db2.gz AIWSFYMFPHVJHS-UHFFFAOYSA-N 1 3 309.395 0.296 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851676600 671010694 /nfs/dbraw/zinc/01/06/94/671010694.db2.gz LKMFXEFSRIKKKU-YUELXQCFSA-N 1 3 308.426 0.243 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000852063906 671081807 /nfs/dbraw/zinc/08/18/07/671081807.db2.gz UCYQEEUZHALCLC-ZNMIVQPWSA-N 1 3 310.442 0.633 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000852063906 671081810 /nfs/dbraw/zinc/08/18/10/671081810.db2.gz UCYQEEUZHALCLC-ZNMIVQPWSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)C1CC1 ZINC000820073599 671161848 /nfs/dbraw/zinc/16/18/48/671161848.db2.gz BLBSIGLZKOSRPF-JSGCOSHPSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)C1CC1 ZINC000820073599 671161852 /nfs/dbraw/zinc/16/18/52/671161852.db2.gz BLBSIGLZKOSRPF-JSGCOSHPSA-N 1 3 300.447 0.329 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)=NO1 ZINC000852854725 671174818 /nfs/dbraw/zinc/17/48/18/671174818.db2.gz NWEBCHNQTBHHBH-KGLIPLIRSA-N 1 3 302.378 0.481 20 0 DCADHO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000852884007 671185149 /nfs/dbraw/zinc/18/51/49/671185149.db2.gz RRKRZCXNFFKYLA-LSDHHAIUSA-N 1 3 316.405 0.823 20 0 DCADHO CN1CCC(N(CCO)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000824157667 671421377 /nfs/dbraw/zinc/42/13/77/671421377.db2.gz JXXKQMJNQHZIIK-UHFFFAOYSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCCCCC[NH3+] ZINC000831273996 671662518 /nfs/dbraw/zinc/66/25/18/671662518.db2.gz DEAXMWMZJLXJNN-HNNXBMFYSA-N 1 3 313.490 0.831 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000930148931 671839046 /nfs/dbraw/zinc/83/90/46/671839046.db2.gz WRYSAERPUZVGDS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@H+]1C ZINC000930148931 671839047 /nfs/dbraw/zinc/83/90/47/671839047.db2.gz WRYSAERPUZVGDS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(F)(F)F ZINC000841334154 671926150 /nfs/dbraw/zinc/92/61/50/671926150.db2.gz CIGRMOYRTKUZBP-DCAQKATOSA-N 1 3 324.347 0.429 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841790297 671955479 /nfs/dbraw/zinc/95/54/79/671955479.db2.gz CEHSNWAZCIJIPB-UXLLHSPISA-N 1 3 322.453 0.635 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000841790570 671955570 /nfs/dbraw/zinc/95/55/70/671955570.db2.gz GDEFOQLMGKZOGV-ILXRZTDVSA-N 1 3 310.442 0.666 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841791382 671956003 /nfs/dbraw/zinc/95/60/03/671956003.db2.gz VRJDJLPYCXUIFL-KKUMJFAQSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@]1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC[NH2+]C1 ZINC000841791457 671956247 /nfs/dbraw/zinc/95/62/47/671956247.db2.gz XITRUKOVXSCYCV-YCPHGPKFSA-N 1 3 310.442 0.539 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842015259 671974120 /nfs/dbraw/zinc/97/41/20/671974120.db2.gz JLECKHZVCRZVJP-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000842014303 671974137 /nfs/dbraw/zinc/97/41/37/671974137.db2.gz BVSODCHCHVTQDH-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N1CCCCC1 ZINC000842015482 671974646 /nfs/dbraw/zinc/97/46/46/671974646.db2.gz LTAFCZHVWIUGEF-QLFBSQMISA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000842260035 672001358 /nfs/dbraw/zinc/00/13/58/672001358.db2.gz SBRMQGDTBUAYJY-DZGCQCFKSA-N 1 3 318.421 0.183 20 0 DCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)c3n[nH]c4c3CNCC4)cc2C1 ZINC000843456034 672098464 /nfs/dbraw/zinc/09/84/64/672098464.db2.gz YDKNVQCNHGUNJE-SNVBAGLBSA-N 1 3 312.377 0.519 20 0 DCADHO [NH3+]CCCCCCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000846222487 672301452 /nfs/dbraw/zinc/30/14/52/672301452.db2.gz DNLIMFVPYUICGC-UHFFFAOYSA-N 1 3 317.499 0.700 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974170 685399799 /nfs/dbraw/zinc/39/97/99/685399799.db2.gz OFKPVGJFBTXZRZ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001037926671 693968704 /nfs/dbraw/zinc/96/87/04/693968704.db2.gz OSZBXUOUPQUGDW-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000954322841 685994246 /nfs/dbraw/zinc/99/42/46/685994246.db2.gz VOYGUVVWKNWAKS-ZDUSSCGKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000954322841 685994249 /nfs/dbraw/zinc/99/42/49/685994249.db2.gz VOYGUVVWKNWAKS-ZDUSSCGKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000954323317 685994667 /nfs/dbraw/zinc/99/46/67/685994667.db2.gz FLQGTDLWMFDEJD-MRXNPFEDSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000954323615 685995037 /nfs/dbraw/zinc/99/50/37/685995037.db2.gz DSAMHKJJQNNFQJ-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954323615 685995039 /nfs/dbraw/zinc/99/50/39/685995039.db2.gz DSAMHKJJQNNFQJ-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000955340592 686372874 /nfs/dbraw/zinc/37/28/74/686372874.db2.gz KAERXOIBDVGMDQ-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000955340592 686372880 /nfs/dbraw/zinc/37/28/80/686372880.db2.gz KAERXOIBDVGMDQ-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCF)C1 ZINC001038628429 694138332 /nfs/dbraw/zinc/13/83/32/694138332.db2.gz QTSMFMBLMUBFAK-KGLIPLIRSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)C1 ZINC001038628429 694138335 /nfs/dbraw/zinc/13/83/35/694138335.db2.gz QTSMFMBLMUBFAK-KGLIPLIRSA-N 1 3 301.406 0.646 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCC[C@H]2CN[C@H]2CCNC2=O)CC1 ZINC000960115992 688304370 /nfs/dbraw/zinc/30/43/70/688304370.db2.gz LKZSREZJSKMKLW-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21)N1CCCC1 ZINC000961465011 688625590 /nfs/dbraw/zinc/62/55/90/688625590.db2.gz OXBAQXULDFMKJR-WCVJEAGWSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21)N1CCCC1 ZINC000961465011 688625591 /nfs/dbraw/zinc/62/55/91/688625591.db2.gz OXBAQXULDFMKJR-WCVJEAGWSA-N 1 3 321.465 0.944 20 0 DCADHO O=C(NC1CC(C[NH2+]CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC000962101678 688812483 /nfs/dbraw/zinc/81/24/83/688812483.db2.gz BWEHHVPCPOOTRY-QFQXCOSMSA-N 1 3 319.449 0.744 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039161693 694315487 /nfs/dbraw/zinc/31/54/87/694315487.db2.gz LQEJXDVJLFDYFM-CQSZACIVSA-N 1 3 306.410 0.505 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001039161693 694315493 /nfs/dbraw/zinc/31/54/93/694315493.db2.gz LQEJXDVJLFDYFM-CQSZACIVSA-N 1 3 306.410 0.505 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000967975800 690140649 /nfs/dbraw/zinc/14/06/49/690140649.db2.gz YXNRLSMDFCQKIX-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000967975800 690140651 /nfs/dbraw/zinc/14/06/51/690140651.db2.gz YXNRLSMDFCQKIX-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CCN1CC[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968409678 690255268 /nfs/dbraw/zinc/25/52/68/690255268.db2.gz OJWGOHQNYVLRKJ-UKRRQHHQSA-N 1 3 307.442 0.905 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968907064 690420982 /nfs/dbraw/zinc/42/09/82/690420982.db2.gz DBVIHEHXJWYCNI-OAHLLOKOSA-N 1 3 319.453 0.903 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC000968990105 690445562 /nfs/dbraw/zinc/44/55/62/690445562.db2.gz SBBZEBOEEWQIKF-ZBFHGGJFSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC000969076533 690464491 /nfs/dbraw/zinc/46/44/91/690464491.db2.gz AIOWFVMFDBIHQQ-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC000969077146 690464500 /nfs/dbraw/zinc/46/45/00/690464500.db2.gz LJBOXVVTSNKGAH-MGPQQGTHSA-N 1 3 320.441 0.296 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011159257 691479433 /nfs/dbraw/zinc/47/94/33/691479433.db2.gz RBOFYMWHTLBDHF-GJZGRUSLSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011159257 691479435 /nfs/dbraw/zinc/47/94/35/691479435.db2.gz RBOFYMWHTLBDHF-GJZGRUSLSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](O)CN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970860 692529369 /nfs/dbraw/zinc/52/93/69/692529369.db2.gz UQELUBKHYPCPRQ-CZUORRHYSA-N 1 3 309.454 0.680 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016531681 692713355 /nfs/dbraw/zinc/71/33/55/692713355.db2.gz DZVFYRHBANPYPQ-WLYUNCDWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016531681 692713358 /nfs/dbraw/zinc/71/33/58/692713358.db2.gz DZVFYRHBANPYPQ-WLYUNCDWSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001018836242 693255920 /nfs/dbraw/zinc/25/59/20/693255920.db2.gz XSDQRWBXZRMGDU-JKSUJKDBSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001018836242 693255923 /nfs/dbraw/zinc/25/59/23/693255923.db2.gz XSDQRWBXZRMGDU-JKSUJKDBSA-N 1 3 319.453 0.983 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018938479 693289361 /nfs/dbraw/zinc/28/93/61/693289361.db2.gz PVOXCQLKWQYXSK-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018938479 693289363 /nfs/dbraw/zinc/28/93/63/693289363.db2.gz PVOXCQLKWQYXSK-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001019032052 693329690 /nfs/dbraw/zinc/32/96/90/693329690.db2.gz CHFSUHMGYKUZNU-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001019380982 693454724 /nfs/dbraw/zinc/45/47/24/693454724.db2.gz UUSLZZVZPZRMLO-KGLIPLIRSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001019380982 693454728 /nfs/dbraw/zinc/45/47/28/693454728.db2.gz UUSLZZVZPZRMLO-KGLIPLIRSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019381404 693455073 /nfs/dbraw/zinc/45/50/73/693455073.db2.gz JAVUBFVIXYMBQF-CABCVRRESA-N 1 3 305.426 0.558 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC001019660991 693559253 /nfs/dbraw/zinc/55/92/53/693559253.db2.gz QHIFRZYWZJVBEL-AAEUAGOBSA-N 1 3 318.425 0.460 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565064 694908583 /nfs/dbraw/zinc/90/85/83/694908583.db2.gz QRRSPKOJQVTOJM-BPUTZDHNSA-N 1 3 319.453 0.636 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001074877511 694927868 /nfs/dbraw/zinc/92/78/68/694927868.db2.gz CIVVQEOGQLTJTI-PMPSAXMXSA-N 1 3 319.453 0.946 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001074877993 694928025 /nfs/dbraw/zinc/92/80/25/694928025.db2.gz VRAYZMDZYGGEKY-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H]([NH2+]C[C@@H]2CCCOC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001074920508 694930527 /nfs/dbraw/zinc/93/05/27/694930527.db2.gz ITXRPYOOQUWNBQ-YDHLFZDLSA-N 1 3 306.410 0.958 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001075166644 694940633 /nfs/dbraw/zinc/94/06/33/694940633.db2.gz HNKGNWBWGXIUBZ-UMPJEAMMSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076586603 695030080 /nfs/dbraw/zinc/03/00/80/695030080.db2.gz DTAVAIVRSWAWTB-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076586603 695030081 /nfs/dbraw/zinc/03/00/81/695030081.db2.gz DTAVAIVRSWAWTB-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001571379919 1162723398 /nfs/dbraw/zinc/72/33/98/1162723398.db2.gz FMLFQMRVRVAQKM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCN(C2CCOCC2)CC1 ZINC001772535009 1157524910 /nfs/dbraw/zinc/52/49/10/1157524910.db2.gz ZFHZIQOPBTVKGY-SJORKVTESA-N 1 3 309.454 0.552 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)Cc1ccccc1 ZINC001648962149 1158189311 /nfs/dbraw/zinc/18/93/11/1158189311.db2.gz MFTQXNODFYZLIF-ZOBUZTSGSA-N 1 3 305.422 0.388 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001752815252 1158252137 /nfs/dbraw/zinc/25/21/37/1158252137.db2.gz OIVPILLZFFUNFE-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CN(CCNCc1cccnc1)C(=O)COC1CC[NH+](C)CC1 ZINC001691531422 1158263020 /nfs/dbraw/zinc/26/30/20/1158263020.db2.gz PGXBWLYTLZORKR-UHFFFAOYSA-N 1 3 320.437 0.740 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCc1cnn(C)c1 ZINC001691623075 1158361545 /nfs/dbraw/zinc/36/15/45/1158361545.db2.gz KPHOPVDXKWQINV-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001752923235 1158479323 /nfs/dbraw/zinc/47/93/23/1158479323.db2.gz ABYQKJHITKEPGH-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO COCC[C@H]1CNCCN1C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC001649129551 1158730061 /nfs/dbraw/zinc/73/00/61/1158730061.db2.gz CSQNLVAWLXAWRT-HOCLYGCPSA-N 1 3 303.406 0.710 20 0 DCADHO COCC[C@@H]1CNCCN1C(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001649131109 1158731038 /nfs/dbraw/zinc/73/10/38/1158731038.db2.gz KBDRCPOVULUWRZ-GFCCVEGCSA-N 1 3 309.435 0.844 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001649148652 1158816652 /nfs/dbraw/zinc/81/66/52/1158816652.db2.gz RQLBYTDPIMRMCC-CQSZACIVSA-N 1 3 305.426 0.562 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000339756803 1158856427 /nfs/dbraw/zinc/85/64/27/1158856427.db2.gz NYMTVBVNWQRPSX-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCO)[C@@H](C)C2)CC1 ZINC001185380684 1158873587 /nfs/dbraw/zinc/87/35/87/1158873587.db2.gz LPNUTMKJMRYPSC-HOTGVXAUSA-N 1 3 311.470 0.785 20 0 DCADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001447552998 1159658321 /nfs/dbraw/zinc/65/83/21/1159658321.db2.gz WCHVGJNXEWOAIV-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001447557633 1159659207 /nfs/dbraw/zinc/65/92/07/1159659207.db2.gz ZIHWZGBBWNIUBW-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C(C)C)[C@H]1CCN(C)C1=O ZINC001566576256 1160071974 /nfs/dbraw/zinc/07/19/74/1160071974.db2.gz IMXIAWWGABHRDY-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C(C)C)[C@H]1CCN(C)C1=O ZINC001566576256 1160071981 /nfs/dbraw/zinc/07/19/81/1160071981.db2.gz IMXIAWWGABHRDY-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)c1 ZINC001566862569 1160170732 /nfs/dbraw/zinc/17/07/32/1160170732.db2.gz FZHZQNOESOPQBD-IYBDPMFKSA-N 1 3 305.422 0.981 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001566952154 1160193177 /nfs/dbraw/zinc/19/31/77/1160193177.db2.gz YPPMZKPNGIHYRH-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001567140426 1160254614 /nfs/dbraw/zinc/25/46/14/1160254614.db2.gz LSIOTNRHKGPAKT-CJNGLKHVSA-N 1 3 315.433 0.629 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NCC2CCC2)C1 ZINC001567560591 1160420247 /nfs/dbraw/zinc/42/02/47/1160420247.db2.gz KOQQOPUQGZVIQW-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NCC2CCC2)C1 ZINC001567560591 1160420252 /nfs/dbraw/zinc/42/02/52/1160420252.db2.gz KOQQOPUQGZVIQW-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@@](C)(CNCCF)C2CC2)CC1 ZINC001568030813 1160566262 /nfs/dbraw/zinc/56/62/62/1160566262.db2.gz HLYPVJISOFDGMJ-INIZCTEOSA-N 1 3 315.433 0.941 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001568641516 1160719752 /nfs/dbraw/zinc/71/97/52/1160719752.db2.gz XKFSJYDSDGGAQK-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nccnc1CNCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699371 1160741672 /nfs/dbraw/zinc/74/16/72/1160741672.db2.gz QLQRGHSTOZITTO-ZDUSSCGKSA-N 1 3 317.437 0.865 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001568879880 1160837750 /nfs/dbraw/zinc/83/77/50/1160837750.db2.gz PYRNULJPMKPGPO-WSNITJDQSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@]1(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C[C@@H](O)C[NH2+]1 ZINC001573600449 1163514186 /nfs/dbraw/zinc/51/41/86/1163514186.db2.gz FEJBLKIAXXVVEI-BFYDXBDKSA-N 1 3 319.405 0.305 20 0 DCADHO CCc1nnc(N(C)CC2C[NH2+]C2)n1CCN1CC=CCC1 ZINC001573840226 1163564303 /nfs/dbraw/zinc/56/43/03/1163564303.db2.gz MKKAQPVERSGASD-UHFFFAOYSA-N 1 3 304.442 0.758 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001575347629 1163983514 /nfs/dbraw/zinc/98/35/14/1163983514.db2.gz CUPUBTRSQFMZHB-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001575681678 1164102251 /nfs/dbraw/zinc/10/22/51/1164102251.db2.gz IBFUPSFHUZIYSG-CABCVRRESA-N 1 3 310.446 0.075 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001575681678 1164102254 /nfs/dbraw/zinc/10/22/54/1164102254.db2.gz IBFUPSFHUZIYSG-CABCVRRESA-N 1 3 310.446 0.075 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC001575961158 1164194764 /nfs/dbraw/zinc/19/47/64/1164194764.db2.gz BVTDAWDDSDJJLB-LSDHHAIUSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC001576016878 1164213232 /nfs/dbraw/zinc/21/32/32/1164213232.db2.gz GNLMGFGXQYRYRD-CABCVRRESA-N 1 3 311.474 0.250 20 0 DCADHO CCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(CCc2cn[nH]n2)C1 ZINC001576511259 1164372051 /nfs/dbraw/zinc/37/20/51/1164372051.db2.gz ZKGYZAYUMKWQOF-OAHLLOKOSA-N 1 3 322.457 0.612 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCOC3(CC[NH2+]CC3)C2)CN1C1CC1 ZINC001576617143 1164414491 /nfs/dbraw/zinc/41/44/91/1164414491.db2.gz QFGBWTGXBBPFNE-ZIAGYGMSSA-N 1 3 322.453 0.776 20 0 DCADHO C[C@@H](CNCc1c[nH]nn1)NC(=O)CCC[NH+]1CCCCC1 ZINC001577138352 1164612382 /nfs/dbraw/zinc/61/23/82/1164612382.db2.gz KEWKHAHYQDXLMM-ZDUSSCGKSA-N 1 3 308.430 0.665 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001578418497 1165007733 /nfs/dbraw/zinc/00/77/33/1165007733.db2.gz AJWXMYBXMZAICP-HZSPNIEDSA-N 1 3 320.441 0.954 20 0 DCADHO C[NH+](C)CCN1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC001578418626 1165009060 /nfs/dbraw/zinc/00/90/60/1165009060.db2.gz MIAISTOZGUXQEU-UHFFFAOYSA-N 1 3 322.478 0.713 20 0 DCADHO CN(CCO)CCN(C)C(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC001578473172 1165028588 /nfs/dbraw/zinc/02/85/88/1165028588.db2.gz JWTFQPITBISTFF-OWYJLGKBSA-N 1 3 315.483 0.372 20 0 DCADHO CN1C[C@H]2[C@@H](CCN2C(=O)c2ncoc2C2CC[NH2+]CC2)C1 ZINC001578523299 1165040785 /nfs/dbraw/zinc/04/07/85/1165040785.db2.gz LAAQRIUHIQVUHP-STQMWFEESA-N 1 3 304.394 0.918 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)C1 ZINC001578526015 1165044143 /nfs/dbraw/zinc/04/41/43/1165044143.db2.gz WXGCWRJYTQMQIH-YOEHRIQHSA-N 1 3 316.405 0.221 20 0 DCADHO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)C1 ZINC001578526015 1165044147 /nfs/dbraw/zinc/04/41/47/1165044147.db2.gz WXGCWRJYTQMQIH-YOEHRIQHSA-N 1 3 316.405 0.221 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC001578528421 1165045528 /nfs/dbraw/zinc/04/55/28/1165045528.db2.gz GBAGTXYHZRXWPB-ZDUSSCGKSA-N 1 3 308.430 0.477 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001578529209 1165045899 /nfs/dbraw/zinc/04/58/99/1165045899.db2.gz QUIFCQWKMOVMPZ-FPMFFAJLSA-N 1 3 303.410 0.985 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC001578529473 1165047105 /nfs/dbraw/zinc/04/71/05/1165047105.db2.gz VMMJEQUAWVCYGI-KFWWJZLASA-N 1 3 310.442 0.618 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001578639909 1165073508 /nfs/dbraw/zinc/07/35/08/1165073508.db2.gz DCNLHVBPFXTFMG-GRAKBVBRSA-N 1 3 311.470 0.926 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001578641437 1165074927 /nfs/dbraw/zinc/07/49/27/1165074927.db2.gz SBNOGANAWXKJSH-HOCLYGCPSA-N 1 3 307.438 0.793 20 0 DCADHO COC(=O)[C@]1(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)CCOC1 ZINC001578781061 1165107240 /nfs/dbraw/zinc/10/72/40/1165107240.db2.gz MANMJJUWKMKXSO-BBRMVZONSA-N 1 3 324.425 0.015 20 0 DCADHO COC(=O)[C@]1(C[NH2+]C[C@H](CN)Cc2cnn(C)c2C)CCOC1 ZINC001578781061 1165107245 /nfs/dbraw/zinc/10/72/45/1165107245.db2.gz MANMJJUWKMKXSO-BBRMVZONSA-N 1 3 324.425 0.015 20 0 DCADHO COCC[C@H](N)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001579002246 1165185586 /nfs/dbraw/zinc/18/55/86/1165185586.db2.gz PCEMRYYWAOCBQC-AVOUXACISA-N 1 3 312.458 0.023 20 0 DCADHO COCC[NH+](CCOC)C1CCN(C[C@@H]2CNCCO2)CC1 ZINC001579033280 1165191837 /nfs/dbraw/zinc/19/18/37/1165191837.db2.gz UCTXSMUTQVIYNZ-INIZCTEOSA-N 1 3 315.458 0.034 20 0 DCADHO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC001579120919 1165216088 /nfs/dbraw/zinc/21/60/88/1165216088.db2.gz NPGFIAGCDGYYOS-HUUCEWRRSA-N 1 3 306.410 0.404 20 0 DCADHO Cc1c(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc(CN)n1C ZINC001579519742 1165334872 /nfs/dbraw/zinc/33/48/72/1165334872.db2.gz WEZDFPRSKRQOMD-UHFFFAOYSA-N 1 3 322.453 0.711 20 0 DCADHO Cc1c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc(CN)n1C ZINC001579519742 1165334877 /nfs/dbraw/zinc/33/48/77/1165334877.db2.gz WEZDFPRSKRQOMD-UHFFFAOYSA-N 1 3 322.453 0.711 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)N(C)C)cc1 ZINC001579667880 1165374019 /nfs/dbraw/zinc/37/40/19/1165374019.db2.gz WHYPUOJDTXNSOL-YQQAZPJKSA-N 1 3 305.422 0.827 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC001580278602 1165554857 /nfs/dbraw/zinc/55/48/57/1165554857.db2.gz OIZUFCZAASIOAS-OAGGEKHMSA-N 1 3 319.405 0.556 20 0 DCADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC2(C[NH2+]C2)C1 ZINC001580484270 1165617236 /nfs/dbraw/zinc/61/72/36/1165617236.db2.gz WWFWSIWCYNFJOC-OAHLLOKOSA-N 1 3 300.406 0.725 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001580615888 1165659048 /nfs/dbraw/zinc/65/90/48/1165659048.db2.gz JJBODZALJCCXBM-OAGGEKHMSA-N 1 3 318.421 0.133 20 0 DCADHO O=C(NC[C@H]1CCN1C1CCOCC1)N[C@@H]1CCC[NH2+]CC1 ZINC001580661787 1165678164 /nfs/dbraw/zinc/67/81/64/1165678164.db2.gz UYOVYLLKVBRQCJ-UKRRQHHQSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(c1ccc2c(c1)OCC[NH2+]C2)N1CC(N[C@H]2CCOC2)C1 ZINC001580818239 1165725787 /nfs/dbraw/zinc/72/57/87/1165725787.db2.gz JBRHBAWOAVSGHS-AWEZNQCLSA-N 1 3 317.389 0.372 20 0 DCADHO OCCCN1CCC[C@@H](NCc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001580882755 1165750377 /nfs/dbraw/zinc/75/03/77/1165750377.db2.gz CCOBVJVVFLMZSF-CABCVRRESA-N 1 3 322.457 0.139 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC001645846143 1172158691 /nfs/dbraw/zinc/15/86/91/1172158691.db2.gz MIYHSDXITQXDNG-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001646173642 1172278348 /nfs/dbraw/zinc/27/83/48/1172278348.db2.gz XZXIQXZJGVUXTA-OCCSQVGLSA-N 1 3 320.393 0.399 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@@H]1CCCCC[NH2+]1 ZINC001646522386 1172413071 /nfs/dbraw/zinc/41/30/71/1172413071.db2.gz OLYPPCVVWYVTAU-SOUVJXGZSA-N 1 3 310.442 0.681 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)NCCC3(C[NH3+])CC3)C2)nn1 ZINC001647251989 1172766202 /nfs/dbraw/zinc/76/62/02/1172766202.db2.gz CZJLAAHOADXGNX-ZDUSSCGKSA-N 1 3 321.429 0.212 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001650159306 1173488911 /nfs/dbraw/zinc/48/89/11/1173488911.db2.gz LMCIDAITAGUYPN-KBUPBQIOSA-N 1 3 310.442 0.394 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001650159311 1173489264 /nfs/dbraw/zinc/48/92/64/1173489264.db2.gz LMCIDAITAGUYPN-TUVASFSCSA-N 1 3 310.442 0.394 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001650173309 1173496871 /nfs/dbraw/zinc/49/68/71/1173496871.db2.gz OMELMKSBNDISAJ-IPYPFGDCSA-N 1 3 310.442 0.394 20 0 DCADHO [NH3+]CC1(c2ccccc2)CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC001650408871 1173626698 /nfs/dbraw/zinc/62/66/98/1173626698.db2.gz DGYKLQYAPIINGE-INIZCTEOSA-N 1 3 317.433 0.884 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001663103505 1174266125 /nfs/dbraw/zinc/26/61/25/1174266125.db2.gz BTJHZDGYDSQRQS-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNCC(=O)NCC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001664227791 1174411335 /nfs/dbraw/zinc/41/13/35/1174411335.db2.gz WQDJWOLLEWITSA-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO COc1cc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001668310690 1174781483 /nfs/dbraw/zinc/78/14/83/1174781483.db2.gz XYVKRCUVBDUNIM-VXGBXAGGSA-N 1 3 310.398 0.619 20 0 DCADHO COc1cc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001668310690 1174781486 /nfs/dbraw/zinc/78/14/86/1174781486.db2.gz XYVKRCUVBDUNIM-VXGBXAGGSA-N 1 3 310.398 0.619 20 0 DCADHO CCN(CC[NH2+]CCn1nc(C)nc1C)C(=O)Cc1c[nH]cn1 ZINC001668566373 1174808862 /nfs/dbraw/zinc/80/88/62/1174808862.db2.gz IQUVKHCQORJZTE-UHFFFAOYSA-N 1 3 319.413 0.299 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001673923675 1175241912 /nfs/dbraw/zinc/24/19/12/1175241912.db2.gz NDGBMCXWJFXBNI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(N)=O)N(CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001689932729 1177117894 /nfs/dbraw/zinc/11/78/94/1177117894.db2.gz LWMJDMCCWMGYAQ-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)CCCC[NH+](C)C)N[C@H]1CCCN(C)C1=O ZINC001690639979 1177291070 /nfs/dbraw/zinc/29/10/70/1177291070.db2.gz JEUNFASWQOVKSK-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001690737882 1177314128 /nfs/dbraw/zinc/31/41/28/1177314128.db2.gz ADRTXUARLNGKQS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001690888970 1177342304 /nfs/dbraw/zinc/34/23/04/1177342304.db2.gz AEQOKXQRIQEQLX-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001690888970 1177342311 /nfs/dbraw/zinc/34/23/11/1177342311.db2.gz AEQOKXQRIQEQLX-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@H](O)CNC/C=C/Cl)C12CCC[NH+](CCC1)C2 ZINC001699050621 1177802527 /nfs/dbraw/zinc/80/25/27/1177802527.db2.gz IXRCNRIWBDMTSX-VUUYWXRKSA-N 1 3 315.845 0.682 20 0 DCADHO COCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001699989556 1178408800 /nfs/dbraw/zinc/40/88/00/1178408800.db2.gz LGMYAYWFKDDFDX-XHSDSOJGSA-N 1 3 311.470 0.999 20 0 DCADHO COCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001699989556 1178408802 /nfs/dbraw/zinc/40/88/02/1178408802.db2.gz LGMYAYWFKDDFDX-XHSDSOJGSA-N 1 3 311.470 0.999 20 0 DCADHO Cn1nncc1C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001700091019 1178475154 /nfs/dbraw/zinc/47/51/54/1178475154.db2.gz ZMODBIJAADPEFH-AWEZNQCLSA-N 1 3 320.441 0.239 20 0 DCADHO Cc1nc(CN[C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)n[nH]1 ZINC001700853103 1178778730 /nfs/dbraw/zinc/77/87/30/1178778730.db2.gz YTIDETMGOUYHDQ-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001705043561 1180239174 /nfs/dbraw/zinc/23/91/74/1180239174.db2.gz SKIYSQMIUCNUTE-DANTVBBOSA-N 1 3 324.469 0.457 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001705043561 1180239179 /nfs/dbraw/zinc/23/91/79/1180239179.db2.gz SKIYSQMIUCNUTE-DANTVBBOSA-N 1 3 324.469 0.457 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001705092209 1180256253 /nfs/dbraw/zinc/25/62/53/1180256253.db2.gz JLODUSFDBZPBIB-ABCZVMIZSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001720136523 1180539262 /nfs/dbraw/zinc/53/92/62/1180539262.db2.gz YBJQAIBIGUATHF-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001720136523 1180539267 /nfs/dbraw/zinc/53/92/67/1180539267.db2.gz YBJQAIBIGUATHF-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CC)C1=O ZINC001713029787 1180638348 /nfs/dbraw/zinc/63/83/48/1180638348.db2.gz JIDCECIVBOPWQZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CC)C1=O ZINC001713029787 1180638351 /nfs/dbraw/zinc/63/83/51/1180638351.db2.gz JIDCECIVBOPWQZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713592007 1180950734 /nfs/dbraw/zinc/95/07/34/1180950734.db2.gz GCISHDDWYGSNAJ-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001713593655 1180951282 /nfs/dbraw/zinc/95/12/82/1180951282.db2.gz SOFCOESXXNPJHC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001713593655 1180951285 /nfs/dbraw/zinc/95/12/85/1180951285.db2.gz SOFCOESXXNPJHC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[NH2+]CCCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001714755432 1181524948 /nfs/dbraw/zinc/52/49/48/1181524948.db2.gz JTSIKQWOVZPPDC-OAHLLOKOSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001714797160 1181552939 /nfs/dbraw/zinc/55/29/39/1181552939.db2.gz WPTQORHVLKQFEC-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714797160 1181552941 /nfs/dbraw/zinc/55/29/41/1181552941.db2.gz WPTQORHVLKQFEC-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715697100 1181946078 /nfs/dbraw/zinc/94/60/78/1181946078.db2.gz MEUUWBQNPHMDGN-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001715697100 1181946085 /nfs/dbraw/zinc/94/60/85/1181946085.db2.gz MEUUWBQNPHMDGN-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNCC(=O)N1CCC1)[NH+](C)C ZINC001715831870 1182035513 /nfs/dbraw/zinc/03/55/13/1182035513.db2.gz ZTGPSGUZGKVUSJ-YVACAVLKSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001715979003 1182129035 /nfs/dbraw/zinc/12/90/35/1182129035.db2.gz JFYJANSWYXQUCB-ZDUSSCGKSA-N 1 3 307.442 0.541 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716217602 1182260523 /nfs/dbraw/zinc/26/05/23/1182260523.db2.gz YMQIUVVMIYFBPA-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716217602 1182260533 /nfs/dbraw/zinc/26/05/33/1182260533.db2.gz YMQIUVVMIYFBPA-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C/C=C\CNC(=O)[C@@H]2CCCN2C)n1 ZINC001716276211 1182295729 /nfs/dbraw/zinc/29/57/29/1182295729.db2.gz GQKGUUXTIVEPPW-XVWMLYKFSA-N 1 3 320.441 0.251 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001716297158 1182312776 /nfs/dbraw/zinc/31/27/76/1182312776.db2.gz XLQAMVNLVCRVFS-QFSCCXLESA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001716297158 1182312784 /nfs/dbraw/zinc/31/27/84/1182312784.db2.gz XLQAMVNLVCRVFS-QFSCCXLESA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001716304159 1182317773 /nfs/dbraw/zinc/31/77/73/1182317773.db2.gz ACYJKSSNAKEDJQ-AGKLADILSA-N 1 3 310.442 0.065 20 0 DCADHO Cn1ccc(C[NH2+]C/C=C\CNC(=O)CN2CCCC2)cc1=O ZINC001716376344 1182365261 /nfs/dbraw/zinc/36/52/61/1182365261.db2.gz XJAIGJIPNVKAEX-IHWYPQMZSA-N 1 3 318.421 0.243 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCOCC(F)F)CN1C(=O)Cc1c[nH]cn1 ZINC001717823778 1183018076 /nfs/dbraw/zinc/01/80/76/1183018076.db2.gz JWWVEWULIZOBNR-JQWIXIFHSA-N 1 3 316.352 0.813 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001720281645 1183547899 /nfs/dbraw/zinc/54/78/99/1183547899.db2.gz HQYGBRXUSWEQAC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001720281645 1183547901 /nfs/dbraw/zinc/54/79/01/1183547901.db2.gz HQYGBRXUSWEQAC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001721858827 1184082358 /nfs/dbraw/zinc/08/23/58/1184082358.db2.gz KKLGBHKMAWVZGJ-MPNWYJEXSA-N 1 3 322.453 0.213 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001721858827 1184082366 /nfs/dbraw/zinc/08/23/66/1184082366.db2.gz KKLGBHKMAWVZGJ-MPNWYJEXSA-N 1 3 322.453 0.213 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccnn1C)N(C)C ZINC001723114789 1184264351 /nfs/dbraw/zinc/26/43/51/1184264351.db2.gz STBDNMNOJSQFAC-OAHLLOKOSA-N 1 3 309.458 0.944 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC(O)(CNCCF)CC1 ZINC001724986026 1184646206 /nfs/dbraw/zinc/64/62/06/1184646206.db2.gz FMOWFQZQJYMROA-UHFFFAOYSA-N 1 3 315.433 0.775 20 0 DCADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H]1CCNC1=O ZINC001731324454 1185266951 /nfs/dbraw/zinc/26/69/51/1185266951.db2.gz RZHFCWMYRHDWLT-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H]1CCNC1=O ZINC001731324454 1185266959 /nfs/dbraw/zinc/26/69/59/1185266959.db2.gz RZHFCWMYRHDWLT-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001731858866 1185534468 /nfs/dbraw/zinc/53/44/68/1185534468.db2.gz VOFHWAKPDDXWTN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001731945936 1185597039 /nfs/dbraw/zinc/59/70/39/1185597039.db2.gz HMJCISQOLSDQJC-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)c1cccc(CNCCN(C)C(=O)CC[NH+](C)C)c1 ZINC001731949177 1185600733 /nfs/dbraw/zinc/60/07/33/1185600733.db2.gz AHVCNCCIYKIPKX-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCO)C1CCCCC1 ZINC001732478334 1185830564 /nfs/dbraw/zinc/83/05/64/1185830564.db2.gz SQPKUQYCXWRURK-OAHLLOKOSA-N 1 3 308.426 0.908 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccnn1C)N(C)C ZINC001732726686 1185939256 /nfs/dbraw/zinc/93/92/56/1185939256.db2.gz PIJOMNBTLJZUCY-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)NC ZINC001732944995 1186074662 /nfs/dbraw/zinc/07/46/62/1186074662.db2.gz YLRXOJGZNOUZIA-JLVOYYQZSA-N 1 3 310.442 0.257 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)NC ZINC001732944995 1186074666 /nfs/dbraw/zinc/07/46/66/1186074666.db2.gz YLRXOJGZNOUZIA-JLVOYYQZSA-N 1 3 310.442 0.257 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001733107339 1186142953 /nfs/dbraw/zinc/14/29/53/1186142953.db2.gz VXGOFAZYQXQEPW-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001733107339 1186142958 /nfs/dbraw/zinc/14/29/58/1186142958.db2.gz VXGOFAZYQXQEPW-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001733581633 1186341505 /nfs/dbraw/zinc/34/15/05/1186341505.db2.gz ROOZDPSEPYHLHJ-ZNMIVQPWSA-N 1 3 324.469 0.372 20 0 DCADHO COCCOCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001733855934 1186477424 /nfs/dbraw/zinc/47/74/24/1186477424.db2.gz WHZQPVROBPSFEU-JSGCOSHPSA-N 1 3 310.398 0.052 20 0 DCADHO C[C@H](CCC[NH2+]Cc1cnnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001734252380 1186593357 /nfs/dbraw/zinc/59/33/57/1186593357.db2.gz HUHIEVLALMOUDJ-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001736749459 1187084168 /nfs/dbraw/zinc/08/41/68/1187084168.db2.gz PYXGSLKNEHISAL-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001736749459 1187084173 /nfs/dbraw/zinc/08/41/73/1187084173.db2.gz PYXGSLKNEHISAL-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CCNC1=O ZINC001752181776 1188399273 /nfs/dbraw/zinc/39/92/73/1188399273.db2.gz KQKUNTFDJMQKEF-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CCNC1=O ZINC001752181776 1188399275 /nfs/dbraw/zinc/39/92/75/1188399275.db2.gz KQKUNTFDJMQKEF-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001753199182 1188531517 /nfs/dbraw/zinc/53/15/17/1188531517.db2.gz MIDOQOKWOXCTQR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001753199182 1188531521 /nfs/dbraw/zinc/53/15/21/1188531521.db2.gz MIDOQOKWOXCTQR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001753235217 1188543786 /nfs/dbraw/zinc/54/37/86/1188543786.db2.gz BOKSKTHZALQLOG-INIZCTEOSA-N 1 3 316.405 0.604 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001753264497 1188553649 /nfs/dbraw/zinc/55/36/49/1188553649.db2.gz UNBXXTRMMZYUEU-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCCCO)c2ccccc2)C1 ZINC001753302379 1188560768 /nfs/dbraw/zinc/56/07/68/1188560768.db2.gz AGORNAACHUWDKL-CVEARBPZSA-N 1 3 305.422 0.768 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCCCO)c2ccccc2)C1 ZINC001753302379 1188560770 /nfs/dbraw/zinc/56/07/70/1188560770.db2.gz AGORNAACHUWDKL-CVEARBPZSA-N 1 3 305.422 0.768 20 0 DCADHO CC1CCN(CC(=O)N2CCC(CC[NH2+]CC(N)=O)CC2)CC1 ZINC001753576618 1188619724 /nfs/dbraw/zinc/61/97/24/1188619724.db2.gz SKFZZZBXEYJRFK-UHFFFAOYSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@H](C(=O)NC/C=C\CN[C@H]1CCNC1=O)[NH+]1CCCCCC1 ZINC001754178567 1188773318 /nfs/dbraw/zinc/77/33/18/1188773318.db2.gz QKNGWYNGGCOTGQ-NWRQEBOHSA-N 1 3 322.453 0.401 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001754406376 1188848042 /nfs/dbraw/zinc/84/80/42/1188848042.db2.gz WYCFEFXZPFHTKC-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CC[C@H]2CCCO2)C1 ZINC001755008706 1188994764 /nfs/dbraw/zinc/99/47/64/1188994764.db2.gz CEYAMCNYPUVTHJ-CABCVRRESA-N 1 3 322.409 0.338 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC001772222916 1190634750 /nfs/dbraw/zinc/63/47/50/1190634750.db2.gz OKWNWAWMNHLBRI-HOTGVXAUSA-N 1 3 304.438 0.618 20 0 DCADHO CNC(=O)CN1CCCC12CCN(c1cc(N)cc[nH+]1)CC2 ZINC001164684153 719696760 /nfs/dbraw/zinc/69/67/60/719696760.db2.gz HMJNGPKVORGKCF-UHFFFAOYSA-N 1 3 303.410 0.845 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(N)n3)CC[C@@H]2C1 ZINC001164854729 720843691 /nfs/dbraw/zinc/84/36/91/720843691.db2.gz RWGMKPZYWLYIKR-ZIAGYGMSSA-N 1 3 306.410 0.837 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N)n3)CC[C@@H]2C1 ZINC001164854729 720843697 /nfs/dbraw/zinc/84/36/97/720843697.db2.gz RWGMKPZYWLYIKR-ZIAGYGMSSA-N 1 3 306.410 0.837 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1CNC2 ZINC001164928538 721857303 /nfs/dbraw/zinc/85/73/03/721857303.db2.gz OEJRHWSZORUJRG-GJZGRUSLSA-N 1 3 302.426 0.294 20 0 DCADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1CNC2 ZINC001164928538 721857304 /nfs/dbraw/zinc/85/73/04/721857304.db2.gz OEJRHWSZORUJRG-GJZGRUSLSA-N 1 3 302.426 0.294 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167224431 747026014 /nfs/dbraw/zinc/02/60/14/747026014.db2.gz JSIOWUPNHIIFBR-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cccc(N)n3)C[C@H]1C2 ZINC001167229875 747029839 /nfs/dbraw/zinc/02/98/39/747029839.db2.gz XGNWOBIMDHEUTP-JBBSTSQOSA-N 1 3 302.378 0.499 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001167232889 747031235 /nfs/dbraw/zinc/03/12/35/747031235.db2.gz TUQYDCOOPWBMFW-CHWSQXEVSA-N 1 3 310.442 0.078 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CCCO)CC2)C1 ZINC001167240394 747036384 /nfs/dbraw/zinc/03/63/84/747036384.db2.gz KNRJSIARPGLGEP-UHFFFAOYSA-N 1 3 311.470 0.977 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C23CCC[NH+]2CCC3)n1 ZINC001087258080 747554810 /nfs/dbraw/zinc/55/48/10/747554810.db2.gz ULJQCELVTIJYEK-UHFFFAOYSA-N 1 3 319.409 0.536 20 0 DCADHO N=c1cc(C[NH3+])ccn1-c1cncc(OCCN2CCCC2)n1 ZINC001167690709 747640581 /nfs/dbraw/zinc/64/05/81/747640581.db2.gz KTVGDDAYNOVLKY-UHFFFAOYSA-N 1 3 314.393 0.680 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001100769484 747900265 /nfs/dbraw/zinc/90/02/65/747900265.db2.gz LXTMRVSTEAMIHN-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC001100769485 747900298 /nfs/dbraw/zinc/90/02/98/747900298.db2.gz LYLLAXBTYSZCLY-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001104938091 747986106 /nfs/dbraw/zinc/98/61/06/747986106.db2.gz OTWGOXNLSPVOGT-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO COCCC1(CNc2ncc3c(n2)CCNC3)CC[NH2+]CC1 ZINC001161497472 748076622 /nfs/dbraw/zinc/07/66/22/748076622.db2.gz RLXVTVFKHSIAOF-UHFFFAOYSA-N 1 3 305.426 0.941 20 0 DCADHO CCN(CC)CC(=O)N1CC(n2cc(C[NH2+]CC(C)C)nn2)C1 ZINC001105344018 748322989 /nfs/dbraw/zinc/32/29/89/748322989.db2.gz HTTMFUCIAIVRRP-UHFFFAOYSA-N 1 3 322.457 0.749 20 0 DCADHO N=C(NCCCC[NH3+])Nc1cncc(C(=O)N2CCCC2)n1 ZINC001167878415 748458208 /nfs/dbraw/zinc/45/82/08/748458208.db2.gz QOJJDHXKUNAPML-UHFFFAOYSA-N 1 3 305.386 0.388 20 0 DCADHO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901771 748478828 /nfs/dbraw/zinc/47/88/28/748478828.db2.gz ZNUYRJMSGMVLMS-ZDUSSCGKSA-N 1 3 324.425 0.144 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001211729565 748498540 /nfs/dbraw/zinc/49/85/40/748498540.db2.gz BUQRVEOLZFJGCT-DLBZAZTESA-N 1 3 319.449 0.903 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001077680028 752288125 /nfs/dbraw/zinc/28/81/25/752288125.db2.gz NSKIOAQDIWABSM-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001077680028 752288128 /nfs/dbraw/zinc/28/81/28/752288128.db2.gz NSKIOAQDIWABSM-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029768 749097429 /nfs/dbraw/zinc/09/74/29/749097429.db2.gz JMGUOMAWSQMKHP-ZFWWWQNUSA-N 1 3 320.441 0.428 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168029768 749097436 /nfs/dbraw/zinc/09/74/36/749097436.db2.gz JMGUOMAWSQMKHP-ZFWWWQNUSA-N 1 3 320.441 0.428 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121592 749245894 /nfs/dbraw/zinc/24/58/94/749245894.db2.gz NLWQFDUPSQMWMP-MCIONIFRSA-N 1 3 306.410 0.767 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121592 749245899 /nfs/dbraw/zinc/24/58/99/749245899.db2.gz NLWQFDUPSQMWMP-MCIONIFRSA-N 1 3 306.410 0.767 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001088326988 749370269 /nfs/dbraw/zinc/37/02/69/749370269.db2.gz CLECRMGKNXLOFD-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001088369541 749401894 /nfs/dbraw/zinc/40/18/94/749401894.db2.gz MGRKRPYOVIPIBS-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001088369541 749401899 /nfs/dbraw/zinc/40/18/99/749401899.db2.gz MGRKRPYOVIPIBS-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]C[C@H]2CCOC2)C1 ZINC001100921727 749562412 /nfs/dbraw/zinc/56/24/12/749562412.db2.gz YXHGVKPTRCTHPL-IYXRBSQSSA-N 1 3 306.410 0.782 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001168320593 749915466 /nfs/dbraw/zinc/91/54/66/749915466.db2.gz FIXBRZQALXGZOA-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CC1 ZINC001127254409 750928588 /nfs/dbraw/zinc/92/85/88/750928588.db2.gz FHGIOMDXAXNKQZ-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CC1 ZINC001127254409 750928592 /nfs/dbraw/zinc/92/85/92/750928592.db2.gz FHGIOMDXAXNKQZ-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780411 751012984 /nfs/dbraw/zinc/01/29/84/751012984.db2.gz VDMSMHUPHXUTSM-DZGCQCFKSA-N 1 3 320.441 0.503 20 0 DCADHO CCCNCc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780411 751012997 /nfs/dbraw/zinc/01/29/97/751012997.db2.gz VDMSMHUPHXUTSM-DZGCQCFKSA-N 1 3 320.441 0.503 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1)N(C)C ZINC001106674434 751223210 /nfs/dbraw/zinc/22/32/10/751223210.db2.gz VELBQBOURJVNOL-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106673295 751224124 /nfs/dbraw/zinc/22/41/24/751224124.db2.gz UUMSTOQYGRVIIL-CHWSQXEVSA-N 1 3 312.458 0.134 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106840587 751307510 /nfs/dbraw/zinc/30/75/10/751307510.db2.gz VHCLTOWQCRLXME-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2nccn2C)[C@H](C)C1 ZINC001106840587 751307516 /nfs/dbraw/zinc/30/75/16/751307516.db2.gz VHCLTOWQCRLXME-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778732 752522452 /nfs/dbraw/zinc/52/24/52/752522452.db2.gz YWKJGGSYSIDKSI-BPLDGKMQSA-N 1 3 315.433 0.628 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cn1 ZINC001044959828 752958989 /nfs/dbraw/zinc/95/89/89/752958989.db2.gz OBDGEHPIJFJWJM-LSDHHAIUSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001045181425 753078184 /nfs/dbraw/zinc/07/81/84/753078184.db2.gz HAWXWBMOLBPPPV-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CCCO1 ZINC001078432651 753239087 /nfs/dbraw/zinc/23/90/87/753239087.db2.gz GFGPTYZRGSIWKX-GYMHETDLSA-N 1 3 323.437 0.077 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001045969112 753383850 /nfs/dbraw/zinc/38/38/50/753383850.db2.gz LFDMNKGTLKBIJI-MRXNPFEDSA-N 1 3 306.410 0.649 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001045969112 753383855 /nfs/dbraw/zinc/38/38/55/753383855.db2.gz LFDMNKGTLKBIJI-MRXNPFEDSA-N 1 3 306.410 0.649 20 0 DCADHO C[C@@H](O)CN1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326448 753646886 /nfs/dbraw/zinc/64/68/86/753646886.db2.gz NCJUMQSMPSLBFO-CJNGLKHVSA-N 1 3 323.441 0.020 20 0 DCADHO C[C@@H](O)CN1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046694202 753878437 /nfs/dbraw/zinc/87/84/37/753878437.db2.gz FFRSDIQVNGBVBV-CJNGLKHVSA-N 1 3 323.441 0.020 20 0 DCADHO CCN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](O)C1 ZINC001090451274 762281369 /nfs/dbraw/zinc/28/13/69/762281369.db2.gz FWUHACPDYKMBFF-IAGOWNOFSA-N 1 3 319.449 0.976 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168754850 754378692 /nfs/dbraw/zinc/37/86/92/754378692.db2.gz CTDKDBPSOAASOC-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001168754886 754382584 /nfs/dbraw/zinc/38/25/84/754382584.db2.gz DCBUSRCJCHQSJB-AWEZNQCLSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063731 754598093 /nfs/dbraw/zinc/59/80/93/754598093.db2.gz FTAJKSCQCJAUHH-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001048395117 754737531 /nfs/dbraw/zinc/73/75/31/754737531.db2.gz ZUHWPINCYNQDTC-JSGCOSHPSA-N 1 3 316.409 0.570 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829024 754965625 /nfs/dbraw/zinc/96/56/25/754965625.db2.gz HBRSAWGZLRIQOK-YVSFHVDLSA-N 1 3 321.465 0.896 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829024 754965628 /nfs/dbraw/zinc/96/56/28/754965628.db2.gz HBRSAWGZLRIQOK-YVSFHVDLSA-N 1 3 321.465 0.896 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864475 754986355 /nfs/dbraw/zinc/98/63/55/754986355.db2.gz GZLJACZBUVIPRE-SOUVJXGZSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864475 754986360 /nfs/dbraw/zinc/98/63/60/754986360.db2.gz GZLJACZBUVIPRE-SOUVJXGZSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049057310 755095176 /nfs/dbraw/zinc/09/51/76/755095176.db2.gz DKAHWJSPPINSJJ-XUWVNRHRSA-N 1 3 309.454 0.753 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049057310 755095180 /nfs/dbraw/zinc/09/51/80/755095180.db2.gz DKAHWJSPPINSJJ-XUWVNRHRSA-N 1 3 309.454 0.753 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001063857019 755273909 /nfs/dbraw/zinc/27/39/09/755273909.db2.gz SGKKPFPZJNUVOW-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001063857019 755273913 /nfs/dbraw/zinc/27/39/13/755273913.db2.gz SGKKPFPZJNUVOW-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079802494 756012216 /nfs/dbraw/zinc/01/22/16/756012216.db2.gz LABCUJYIMLDSFK-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079802494 756012222 /nfs/dbraw/zinc/01/22/22/756012222.db2.gz LABCUJYIMLDSFK-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080018485 756074630 /nfs/dbraw/zinc/07/46/30/756074630.db2.gz XRVXQEAKXVPWQS-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080018485 756074637 /nfs/dbraw/zinc/07/46/37/756074637.db2.gz XRVXQEAKXVPWQS-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001054742301 756624156 /nfs/dbraw/zinc/62/41/56/756624156.db2.gz YWCPRYHZEIUJTC-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672730 756751241 /nfs/dbraw/zinc/75/12/41/756751241.db2.gz HUZUEXAHPVAXEO-BZUAXINKSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1)N(C)C ZINC001055406910 756785446 /nfs/dbraw/zinc/78/54/46/756785446.db2.gz KKMQOBGHPXRONU-ZNMIVQPWSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1ccnn1C ZINC001082520662 757174138 /nfs/dbraw/zinc/17/41/38/757174138.db2.gz LLJDRYVOSRNBDI-RRCSTGOVSA-N 1 3 319.453 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1ccnn1C ZINC001082520662 757174145 /nfs/dbraw/zinc/17/41/45/757174145.db2.gz LLJDRYVOSRNBDI-RRCSTGOVSA-N 1 3 319.453 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001082557530 757185045 /nfs/dbraw/zinc/18/50/45/757185045.db2.gz LHMZHHWNHQGLOM-QLFBSQMISA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cnn(C)c1 ZINC001082920087 757326393 /nfs/dbraw/zinc/32/63/93/757326393.db2.gz PVWFGKSKVHXZET-BPLDGKMQSA-N 1 3 305.426 0.308 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cnn(C)c1 ZINC001082920087 757326400 /nfs/dbraw/zinc/32/64/00/757326400.db2.gz PVWFGKSKVHXZET-BPLDGKMQSA-N 1 3 305.426 0.308 20 0 DCADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCO)[C@@H](C1CC1)N1CCCC1 ZINC001085284841 758797831 /nfs/dbraw/zinc/79/78/31/758797831.db2.gz OPOINZAKYMEQBC-BZUAXINKSA-N 1 3 309.454 0.870 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001051684135 758860544 /nfs/dbraw/zinc/86/05/44/758860544.db2.gz YBJQNMAQYQRSKI-LSDHHAIUSA-N 1 3 323.441 0.077 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CC3CCC3)C2)C1 ZINC001051825815 758972782 /nfs/dbraw/zinc/97/27/82/758972782.db2.gz WLYODMGJDXRMIR-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001051832193 758976019 /nfs/dbraw/zinc/97/60/19/758976019.db2.gz UTGRCZIGDAOPPX-GJZGRUSLSA-N 1 3 323.441 0.077 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001147886064 767863428 /nfs/dbraw/zinc/86/34/28/767863428.db2.gz SIRMRPZPIZEJMY-CQSZACIVSA-N 1 3 318.421 0.333 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001147886064 767863431 /nfs/dbraw/zinc/86/34/31/767863431.db2.gz SIRMRPZPIZEJMY-CQSZACIVSA-N 1 3 318.421 0.333 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900910 767880687 /nfs/dbraw/zinc/88/06/87/767880687.db2.gz YTAVUPUIJCZLLR-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900910 767880693 /nfs/dbraw/zinc/88/06/93/767880693.db2.gz YTAVUPUIJCZLLR-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO COc1ccc(CNCCNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001147970179 767888709 /nfs/dbraw/zinc/88/87/09/767888709.db2.gz BGXNTTWGTROSPJ-UHFFFAOYSA-N 1 3 304.394 0.392 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001155789195 760170391 /nfs/dbraw/zinc/17/03/91/760170391.db2.gz BHFMQQGFPDHGMX-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086431948 760182705 /nfs/dbraw/zinc/18/27/05/760182705.db2.gz HVIMFQPTWLZNMJ-GZOJWHRLSA-N 1 3 321.465 0.990 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315125 767968436 /nfs/dbraw/zinc/96/84/36/767968436.db2.gz CJQAHSCWZZEDFA-CQSZACIVSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315125 767968437 /nfs/dbraw/zinc/96/84/37/767968437.db2.gz CJQAHSCWZZEDFA-CQSZACIVSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365666 767974692 /nfs/dbraw/zinc/97/46/92/767974692.db2.gz VUPVMMFKKYDPQM-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC001123486760 767986014 /nfs/dbraw/zinc/98/60/14/767986014.db2.gz IBWCPVRQTJWBIN-UKRRQHHQSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001123486760 767986017 /nfs/dbraw/zinc/98/60/17/767986017.db2.gz IBWCPVRQTJWBIN-UKRRQHHQSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nccn1CCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001123486760 767986020 /nfs/dbraw/zinc/98/60/20/767986020.db2.gz IBWCPVRQTJWBIN-UKRRQHHQSA-N 1 3 322.457 0.515 20 0 DCADHO Cc1nnc(CN[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC[NH+](C)C)C3)[nH]1 ZINC001108756997 761038073 /nfs/dbraw/zinc/03/80/73/761038073.db2.gz AYKFSNYKAPTRLI-IHRRRGAJSA-N 1 3 320.441 0.534 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)N1CCCCC1 ZINC001129363940 761050269 /nfs/dbraw/zinc/05/02/69/761050269.db2.gz NHFNSHFTOVXJQC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N[C@H](C)CC ZINC001148577978 768019560 /nfs/dbraw/zinc/01/95/60/768019560.db2.gz MCKZMIHAIKQCDA-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N[C@H](C)CC ZINC001148577978 768019564 /nfs/dbraw/zinc/01/95/64/768019564.db2.gz MCKZMIHAIKQCDA-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC2(CCN(CCO)CC2)O1 ZINC001111548497 761381340 /nfs/dbraw/zinc/38/13/40/761381340.db2.gz GDYUYEBAKUVMNV-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001070754450 761431424 /nfs/dbraw/zinc/43/14/24/761431424.db2.gz JDQLLBBUKCYNLJ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001070754450 761431426 /nfs/dbraw/zinc/43/14/26/761431426.db2.gz JDQLLBBUKCYNLJ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CO[C@@H](C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977736 761627488 /nfs/dbraw/zinc/62/74/88/761627488.db2.gz XFNZBYPKXVRPGG-XGUBFFRZSA-N 1 3 313.442 0.321 20 0 DCADHO C[NH+]1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC1 ZINC001099301845 762858562 /nfs/dbraw/zinc/85/85/62/762858562.db2.gz UEKJKRYIKRIELS-VXGBXAGGSA-N 1 3 323.359 0.299 20 0 DCADHO C[C@H]1CC2(CN1C(=O)[C@H]1CCCN1C)CC[NH+](CCO)CC2 ZINC001086907930 768089693 /nfs/dbraw/zinc/08/96/93/768089693.db2.gz IDHRGOACYGJQHH-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001129417487 762932360 /nfs/dbraw/zinc/93/23/60/762932360.db2.gz OOPOUDCGZVLPPG-CQSZACIVSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001129417487 762932365 /nfs/dbraw/zinc/93/23/65/762932365.db2.gz OOPOUDCGZVLPPG-CQSZACIVSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC001129450238 762938218 /nfs/dbraw/zinc/93/82/18/762938218.db2.gz YBEBTOXCGHPMBN-HOTGVXAUSA-N 1 3 323.412 0.905 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)N1CCCCC1 ZINC001129449899 762938653 /nfs/dbraw/zinc/93/86/53/762938653.db2.gz RNIREWUBSMSEBI-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC001129443366 762944626 /nfs/dbraw/zinc/94/46/26/762944626.db2.gz JISQFATVBVPTTR-CVEARBPZSA-N 1 3 305.422 0.766 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535061 762960588 /nfs/dbraw/zinc/96/05/88/762960588.db2.gz IFLBDKJCZNKLSH-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC(C)(C)C ZINC001129535385 762961205 /nfs/dbraw/zinc/96/12/05/762961205.db2.gz PNIXTOWJNCRYHI-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535507 762961579 /nfs/dbraw/zinc/96/15/79/762961579.db2.gz VITRFHXCFYXESS-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H]1CC2(CN1C(=O)Cc1c[nH]cn1)CC[NH+](CCO)CC2 ZINC001086945882 768098270 /nfs/dbraw/zinc/09/82/70/768098270.db2.gz KYFWTWPXXPRJRE-ZDUSSCGKSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001129855581 763025058 /nfs/dbraw/zinc/02/50/58/763025058.db2.gz HIYIAUZERBVQOK-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001129855581 763025060 /nfs/dbraw/zinc/02/50/60/763025060.db2.gz HIYIAUZERBVQOK-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001129840586 763030241 /nfs/dbraw/zinc/03/02/41/763030241.db2.gz HZDDQSLATMQWJE-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001129840586 763030248 /nfs/dbraw/zinc/03/02/48/763030248.db2.gz HZDDQSLATMQWJE-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)n1 ZINC001129947268 763065310 /nfs/dbraw/zinc/06/53/10/763065310.db2.gz RIKUFVHZHTUVJY-AWEZNQCLSA-N 1 3 310.446 0.187 20 0 DCADHO CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001130024064 763092224 /nfs/dbraw/zinc/09/22/24/763092224.db2.gz IKBRPLSWIOQLJU-KGLIPLIRSA-N 1 3 317.397 0.386 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O)C1CCC1 ZINC001099879061 763095274 /nfs/dbraw/zinc/09/52/74/763095274.db2.gz FAJNANFHELZQCK-KGLIPLIRSA-N 1 3 301.406 0.382 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O)C1CCC1 ZINC001099879061 763095280 /nfs/dbraw/zinc/09/52/80/763095280.db2.gz FAJNANFHELZQCK-KGLIPLIRSA-N 1 3 301.406 0.382 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(N(CCO)CCF)CC1)[NH+](C)C ZINC001098472086 763102891 /nfs/dbraw/zinc/10/28/91/763102891.db2.gz VLJTVAYWEUISOW-OAHLLOKOSA-N 1 3 317.449 0.827 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001130205682 763178090 /nfs/dbraw/zinc/17/80/90/763178090.db2.gz SKTAAFHTRKTIGD-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001130425400 763295974 /nfs/dbraw/zinc/29/59/74/763295974.db2.gz XTNZMVCUNFPDIV-SNVBAGLBSA-N 1 3 313.364 0.736 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421906 763296836 /nfs/dbraw/zinc/29/68/36/763296836.db2.gz OCMQIFYFEOQSFS-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421906 763296842 /nfs/dbraw/zinc/29/68/42/763296842.db2.gz OCMQIFYFEOQSFS-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130695546 763442372 /nfs/dbraw/zinc/44/23/72/763442372.db2.gz YWLCYIKICDJODK-DZGCQCFKSA-N 1 3 307.442 0.666 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccnn1C ZINC001130711233 763451197 /nfs/dbraw/zinc/45/11/97/763451197.db2.gz RFMFWADTDVJLPS-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccnn1C ZINC001130711233 763451201 /nfs/dbraw/zinc/45/12/01/763451201.db2.gz RFMFWADTDVJLPS-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]Cc3cncn3C)C2)CCC1 ZINC001100405946 763556405 /nfs/dbraw/zinc/55/64/05/763556405.db2.gz URCXTRACTOFQHY-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H](NC1CC(CNC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001100637369 763695836 /nfs/dbraw/zinc/69/58/36/763695836.db2.gz OWRZVNJUTUXKFV-HSBZDZAISA-N 1 3 305.426 0.974 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCn2cccn2)C1)N(C)C ZINC001100647190 763700673 /nfs/dbraw/zinc/70/06/73/763700673.db2.gz IBZSLRPVNIPJBR-UYSNPLJNSA-N 1 3 321.469 0.954 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2cncn2C)C1 ZINC001100677058 763716422 /nfs/dbraw/zinc/71/64/22/763716422.db2.gz XNESBIXCNNAVRD-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100676981 763717196 /nfs/dbraw/zinc/71/71/96/763717196.db2.gz VLNJJIKURGRRTH-OPFPJEHXSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100676570 763717328 /nfs/dbraw/zinc/71/73/28/763717328.db2.gz PQSXLQZBWYTYFN-IYXRBSQSSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678478 763718702 /nfs/dbraw/zinc/71/87/02/763718702.db2.gz MHIKWWKCEVVBOF-WLYUNCDWSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](Nc1cncc(N2CCC([NH3+])CC2)n1)[C@H]1CNCCO1 ZINC001170563293 763832623 /nfs/dbraw/zinc/83/26/23/763832623.db2.gz LEBGZHWKTOQQHY-WCQYABFASA-N 1 3 306.414 0.193 20 0 DCADHO Cn1nncc1CNC1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100872817 763835792 /nfs/dbraw/zinc/83/57/92/763835792.db2.gz KWCKYECWWRHZKF-HSBZDZAISA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100872817 763835800 /nfs/dbraw/zinc/83/58/00/763835800.db2.gz KWCKYECWWRHZKF-HSBZDZAISA-N 1 3 320.441 0.141 20 0 DCADHO Cc1cc(OC2CC[NH2+]CC2)nc(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001170563897 763841738 /nfs/dbraw/zinc/84/17/38/763841738.db2.gz OCFFFRJJXDNZSW-OCCSQVGLSA-N 1 3 321.425 0.705 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@]2(CCN(CCO)C2)O1 ZINC001131681622 763934430 /nfs/dbraw/zinc/93/44/30/763934430.db2.gz FRQDPMFTBHMKNS-GOEBONIOSA-N 1 3 313.442 0.012 20 0 DCADHO CN(C(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001132280235 764350509 /nfs/dbraw/zinc/35/05/09/764350509.db2.gz DAVRRVFYFALADR-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO COCCOCCN1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273563 764354611 /nfs/dbraw/zinc/35/46/11/764354611.db2.gz HCFQDNGPAZXGOC-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320521 764597213 /nfs/dbraw/zinc/59/72/13/764597213.db2.gz GKXVBWZXLXSRQB-UKRRQHHQSA-N 1 3 324.469 0.148 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)N(C)C ZINC001102378045 764619905 /nfs/dbraw/zinc/61/99/05/764619905.db2.gz LKORSHPNFZPOAH-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)N(C)C ZINC001102378045 764619910 /nfs/dbraw/zinc/61/99/10/764619910.db2.gz LKORSHPNFZPOAH-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1C ZINC001102496297 764668962 /nfs/dbraw/zinc/66/89/62/764668962.db2.gz OSMMALYFRBRFLW-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1C ZINC001102496297 764668966 /nfs/dbraw/zinc/66/89/66/764668966.db2.gz OSMMALYFRBRFLW-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001132892872 764712165 /nfs/dbraw/zinc/71/21/65/764712165.db2.gz DHRHMKJTKPNNBY-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001132892872 764712174 /nfs/dbraw/zinc/71/21/74/764712174.db2.gz DHRHMKJTKPNNBY-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCCO ZINC001132892745 764712435 /nfs/dbraw/zinc/71/24/35/764712435.db2.gz ISIPEENELMHJFA-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001133135901 764839768 /nfs/dbraw/zinc/83/97/68/764839768.db2.gz YXABMKBWISBPEC-CHWSQXEVSA-N 1 3 321.425 0.115 20 0 DCADHO C[NH+]1CCC(C(=O)NCCNCc2cccc(C(N)=O)c2)CC1 ZINC001133287886 764907003 /nfs/dbraw/zinc/90/70/03/764907003.db2.gz OOICRAHLIKBVJQ-UHFFFAOYSA-N 1 3 318.421 0.333 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286073 764907488 /nfs/dbraw/zinc/90/74/88/764907488.db2.gz VYKDHBCZEIPFCD-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1CCCC[C@H]1NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290978 764908902 /nfs/dbraw/zinc/90/89/02/764908902.db2.gz GRIIQROYIYXJDP-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)C(=O)c1ccc(CNCCNC(=O)CC[NH+](C)C)cc1 ZINC001133291492 764909889 /nfs/dbraw/zinc/90/98/89/764909889.db2.gz RXMNQJZBPWEURB-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCc1ccccc1F ZINC001133291740 764909945 /nfs/dbraw/zinc/90/99/45/764909945.db2.gz YDWVEFDIJAZZRV-UHFFFAOYSA-N 1 3 324.400 0.099 20 0 DCADHO C[NH+](C)CCC(=O)NCCNC[C@@H](O)c1cc(F)ccc1F ZINC001133294361 764911671 /nfs/dbraw/zinc/91/16/71/764911671.db2.gz FMZWQOBHXXPMSE-CQSZACIVSA-N 1 3 315.364 0.656 20 0 DCADHO CC(C)CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C(C)C ZINC001133298010 764919858 /nfs/dbraw/zinc/91/98/58/764919858.db2.gz WHGVQXJSZNXCCG-UHFFFAOYSA-N 1 3 314.474 0.537 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1C ZINC001103677013 765104509 /nfs/dbraw/zinc/10/45/09/765104509.db2.gz FTWADZYSRAOAOQ-MBNYWOFBSA-N 1 3 308.426 0.716 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001103677013 765104514 /nfs/dbraw/zinc/10/45/14/765104514.db2.gz FTWADZYSRAOAOQ-MBNYWOFBSA-N 1 3 308.426 0.716 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103754424 765119943 /nfs/dbraw/zinc/11/99/43/765119943.db2.gz CHNOXNUHZKYDNK-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103754424 765119947 /nfs/dbraw/zinc/11/99/47/765119947.db2.gz CHNOXNUHZKYDNK-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001133834040 765163621 /nfs/dbraw/zinc/16/36/21/765163621.db2.gz MKNOHCOLBFZYSD-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C)C1CC1 ZINC001133834040 765163629 /nfs/dbraw/zinc/16/36/29/765163629.db2.gz MKNOHCOLBFZYSD-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCC(C)CC2)C1 ZINC001133853289 765171645 /nfs/dbraw/zinc/17/16/45/765171645.db2.gz IAQZBYPGNOOSFE-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCC(C)CC2)C1 ZINC001133853289 765171650 /nfs/dbraw/zinc/17/16/50/765171650.db2.gz IAQZBYPGNOOSFE-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001133845745 765178987 /nfs/dbraw/zinc/17/89/87/765178987.db2.gz MNXUIEXUJLANAQ-ZBFHGGJFSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@H](NCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(C)(C)C ZINC001133849739 765181699 /nfs/dbraw/zinc/18/16/99/765181699.db2.gz CTMDEFUDIYITRQ-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC(C)(C)C ZINC001133849739 765181707 /nfs/dbraw/zinc/18/17/07/765181707.db2.gz CTMDEFUDIYITRQ-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856555 765182697 /nfs/dbraw/zinc/18/26/97/765182697.db2.gz ITSHTJPEQBOHEX-XHDPSFHLSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856555 765182702 /nfs/dbraw/zinc/18/27/02/765182702.db2.gz ITSHTJPEQBOHEX-XHDPSFHLSA-N 1 3 316.421 0.039 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)C1 ZINC001112206509 765473856 /nfs/dbraw/zinc/47/38/56/765473856.db2.gz SCFVDBSYANKRQJ-IJLUTSLNSA-N 1 3 323.359 0.299 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCCO)C2)C1 ZINC001112206509 765473864 /nfs/dbraw/zinc/47/38/64/765473864.db2.gz SCFVDBSYANKRQJ-IJLUTSLNSA-N 1 3 323.359 0.299 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001159155536 765493980 /nfs/dbraw/zinc/49/39/80/765493980.db2.gz PMEJCCWUJJKHJQ-AWEZNQCLSA-N 1 3 313.421 0.696 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)C1CCC1 ZINC001134607456 765599972 /nfs/dbraw/zinc/59/99/72/765599972.db2.gz HOFTUEPXFWLCGV-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001134762974 765658263 /nfs/dbraw/zinc/65/82/63/765658263.db2.gz JIXXMPHFYKZMFI-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001134762974 765658267 /nfs/dbraw/zinc/65/82/67/765658267.db2.gz JIXXMPHFYKZMFI-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)N2CCCC2)CC1 ZINC001134776744 765670149 /nfs/dbraw/zinc/67/01/49/765670149.db2.gz XZNMFZVLRNJIHR-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135437026 765933281 /nfs/dbraw/zinc/93/32/81/765933281.db2.gz KELIBWXYYIKWRH-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)CN(C)CC(C)(C)C)[NH2+]CC(N)=O ZINC001135475975 765950192 /nfs/dbraw/zinc/95/01/92/765950192.db2.gz HNPJPWPFJCWTCF-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC001135513157 765967012 /nfs/dbraw/zinc/96/70/12/765967012.db2.gz HPOSENOFYMMWJS-OAHLLOKOSA-N 1 3 323.437 0.474 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC001135513509 765967745 /nfs/dbraw/zinc/96/77/45/765967745.db2.gz QBXLJAVBRPSFCW-MRXNPFEDSA-N 1 3 323.437 0.776 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001135743330 766085238 /nfs/dbraw/zinc/08/52/38/766085238.db2.gz ISXCBBWKDIXENC-ZIAGYGMSSA-N 1 3 314.474 0.726 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001092658351 768363673 /nfs/dbraw/zinc/36/36/73/768363673.db2.gz QPLFRYULQNAUPK-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001092658351 768363681 /nfs/dbraw/zinc/36/36/81/768363681.db2.gz QPLFRYULQNAUPK-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)=CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731553 766528752 /nfs/dbraw/zinc/52/87/52/766528752.db2.gz SPBAVFPIXUUDNN-HUUCEWRRSA-N 1 3 307.438 0.600 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)N(C)C ZINC001171247232 767238338 /nfs/dbraw/zinc/23/83/38/767238338.db2.gz JUIODCKLQMJVSJ-WFASDCNBSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1)C(N)=O ZINC001171253945 767298581 /nfs/dbraw/zinc/29/85/81/767298581.db2.gz NTEGUHVWQCGXRK-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121234001 767473072 /nfs/dbraw/zinc/47/30/72/767473072.db2.gz VHWJVDGXECTEDZ-UHFFFAOYSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121246384 767479886 /nfs/dbraw/zinc/47/98/86/767479886.db2.gz NTPYZLYHSWYPAT-ZNXABPOJSA-N 1 3 309.454 0.724 20 0 DCADHO COCC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121245516 767480198 /nfs/dbraw/zinc/48/01/98/767480198.db2.gz GVUCNKVQRZYWSV-LETWWHAPSA-N 1 3 309.454 0.990 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146719275 767510987 /nfs/dbraw/zinc/51/09/87/767510987.db2.gz OBARKBYUKFAXOP-UHFFFAOYSA-N 1 3 314.474 0.683 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146719275 767510991 /nfs/dbraw/zinc/51/09/91/767510991.db2.gz OBARKBYUKFAXOP-UHFFFAOYSA-N 1 3 314.474 0.683 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001122118014 767718513 /nfs/dbraw/zinc/71/85/13/767718513.db2.gz JCJSQQYLRYKLIH-UHFFFAOYSA-N 1 3 306.410 0.660 20 0 DCADHO CCc1nocc1CNCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303745 767744191 /nfs/dbraw/zinc/74/41/91/767744191.db2.gz YYMIJRZNEVEUCB-UHFFFAOYSA-N 1 3 306.410 0.929 20 0 DCADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001122535707 767827871 /nfs/dbraw/zinc/82/78/71/767827871.db2.gz FYPAUERLZHAFEF-AVGNSLFASA-N 1 3 317.380 0.289 20 0 DCADHO COc1ccc(CN2CCC(=O)N(CC[NH+](C)C)CC2)cc1N ZINC001140898189 768553492 /nfs/dbraw/zinc/55/34/92/768553492.db2.gz BGYYDXWIAMFPFZ-UHFFFAOYSA-N 1 3 320.437 0.873 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCOCCOC ZINC001161226829 768699073 /nfs/dbraw/zinc/69/90/73/768699073.db2.gz PZPLKTMOUCIVJO-UHFFFAOYSA-N 1 3 303.447 0.476 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@H]1C[N@H+](CCCF)CCCO1)C1CC1 ZINC001149847378 768820174 /nfs/dbraw/zinc/82/01/74/768820174.db2.gz DPWXHNHJKMMCTI-GJZGRUSLSA-N 1 3 315.433 0.893 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1)C1CC1 ZINC001149847378 768820183 /nfs/dbraw/zinc/82/01/83/768820183.db2.gz DPWXHNHJKMMCTI-GJZGRUSLSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001094074548 768849294 /nfs/dbraw/zinc/84/92/94/768849294.db2.gz ITCRKJNSOUTNSJ-HZSPNIEDSA-N 1 3 306.410 0.673 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCCOC)CCCO1)N(C)C ZINC001150350494 769071982 /nfs/dbraw/zinc/07/19/82/769071982.db2.gz JNKYOEISPSNAQC-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CCCOC)CCCO1)N(C)C ZINC001150350494 769071995 /nfs/dbraw/zinc/07/19/95/769071995.db2.gz JNKYOEISPSNAQC-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)OC)CCCO1 ZINC001150619598 769143105 /nfs/dbraw/zinc/14/31/05/769143105.db2.gz BZAUXTZWQHISEV-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)OC)CCCO1 ZINC001150619598 769143113 /nfs/dbraw/zinc/14/31/13/769143113.db2.gz BZAUXTZWQHISEV-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CCCCC1 ZINC001151073285 769252050 /nfs/dbraw/zinc/25/20/50/769252050.db2.gz IKRNZIPKXJJNFV-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCCCC1 ZINC001151073285 769252056 /nfs/dbraw/zinc/25/20/56/769252056.db2.gz IKRNZIPKXJJNFV-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nocc1C[NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151158602 769279452 /nfs/dbraw/zinc/27/94/52/769279452.db2.gz PUXIUZZCXNSXLM-LBPRGKRZSA-N 1 3 310.398 0.157 20 0 DCADHO CO[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)nc2)C[C@@H]1OC ZINC001232360282 769310505 /nfs/dbraw/zinc/31/05/05/769310505.db2.gz DIPRRZWRNMFSIS-IYBDPMFKSA-N 1 3 320.437 0.679 20 0 DCADHO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)nc2)C[C@@H]1OC ZINC001232360282 769310517 /nfs/dbraw/zinc/31/05/17/769310517.db2.gz DIPRRZWRNMFSIS-IYBDPMFKSA-N 1 3 320.437 0.679 20 0 DCADHO CO[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1OC ZINC001232360282 769310529 /nfs/dbraw/zinc/31/05/29/769310529.db2.gz DIPRRZWRNMFSIS-IYBDPMFKSA-N 1 3 320.437 0.679 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCCNCc1cnnn1CC ZINC001171726187 769357261 /nfs/dbraw/zinc/35/72/61/769357261.db2.gz XUVXRVCKHUMNKZ-UHFFFAOYSA-N 1 3 310.446 0.626 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1cnnn1CC ZINC001171726187 769357273 /nfs/dbraw/zinc/35/72/73/769357273.db2.gz XUVXRVCKHUMNKZ-UHFFFAOYSA-N 1 3 310.446 0.626 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001171770565 769372950 /nfs/dbraw/zinc/37/29/50/769372950.db2.gz SVAXWKICYJLQEZ-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO c1cc(-c2noc(C3=NO[C@@H]4C[NH2+]C[C@@H]34)n2)nc2c1CNCC2 ZINC001212628546 769386975 /nfs/dbraw/zinc/38/69/75/769386975.db2.gz CVHCFGYWQFVHBK-BXKDBHETSA-N 1 3 312.333 0.100 20 0 DCADHO C[NH+](C)CCCN1CCN([C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172018847 769414717 /nfs/dbraw/zinc/41/47/17/769414717.db2.gz XOCPEMJCUCPBBB-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CCN1CC[C@H](N(CCC[NH+](C)C)CCC(=O)OC)CC1=O ZINC001172043384 769422456 /nfs/dbraw/zinc/42/24/56/769422456.db2.gz NOIIAMSBSZOSMD-AWEZNQCLSA-N 1 3 313.442 0.814 20 0 DCADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCOCCN1C(=O)C=CC1=O)C2 ZINC001172107765 769436533 /nfs/dbraw/zinc/43/65/33/769436533.db2.gz BWQCYJLXFJZCEU-QDMKHBRRSA-N 1 3 321.421 0.533 20 0 DCADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCOCCN1C(=O)C=CC1=O)C2 ZINC001172107765 769436541 /nfs/dbraw/zinc/43/65/41/769436541.db2.gz BWQCYJLXFJZCEU-QDMKHBRRSA-N 1 3 321.421 0.533 20 0 DCADHO COCCCN1CCC([NH2+]CCCN2CCN(C)CC2)CC1 ZINC001172241958 769463522 /nfs/dbraw/zinc/46/35/22/769463522.db2.gz AVVFIAYIIKLHPB-UHFFFAOYSA-N 1 3 312.502 0.714 20 0 DCADHO CC(C)(C(=O)NC[C@@H]1CN(CCO)CCCO1)[NH+]1CCCC1 ZINC001150070468 769492013 /nfs/dbraw/zinc/49/20/13/769492013.db2.gz KJLNTLJBQYNCIK-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)c2cccc(C[NH+](C)C)c2)C1=O ZINC001152246274 769514449 /nfs/dbraw/zinc/51/44/49/769514449.db2.gz WFLCYRLVQSUGDF-OAHLLOKOSA-N 1 3 318.421 0.298 20 0 DCADHO C[C@@H](CCCCNCc1cn(C)nn1)NC(=O)CCC[NH+](C)C ZINC001174960646 769834028 /nfs/dbraw/zinc/83/40/28/769834028.db2.gz GUAQDWFOLASCLA-AWEZNQCLSA-N 1 3 324.473 0.922 20 0 DCADHO Cn1ccnc1C(=O)N[C@@H]1CN(CCCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001235660122 769926153 /nfs/dbraw/zinc/92/61/53/769926153.db2.gz IXWCXEPVEBTRQE-MGPQQGTHSA-N 1 3 321.425 0.121 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cn(C)cn3)C[C@H]1C2 ZINC001236022449 769968426 /nfs/dbraw/zinc/96/84/26/769968426.db2.gz KQJIBZJUDQACAA-UJDVCPFMSA-N 1 3 304.394 0.251 20 0 DCADHO COCCN(Cc1nc2c(s1)CNCC2)[C@@H]1CCC[NH2+]C1 ZINC001236328753 769996544 /nfs/dbraw/zinc/99/65/44/769996544.db2.gz ISVHXLVBQSPXBN-GFCCVEGCSA-N 1 3 310.467 0.989 20 0 DCADHO CCOC(=O)[C@@H]1CN(Cc2ccc(N)nc2)CCC12C[NH2+]C2 ZINC001237431107 770039873 /nfs/dbraw/zinc/03/98/73/770039873.db2.gz NHWZIPMIUGMCME-ZDUSSCGKSA-N 1 3 304.394 0.638 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCn1cncn1 ZINC001176284226 770061850 /nfs/dbraw/zinc/06/18/50/770061850.db2.gz DKXBMIRQSKIXSN-HNNXBMFYSA-N 1 3 324.473 0.885 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(=O)NC ZINC001176284672 770061890 /nfs/dbraw/zinc/06/18/90/770061890.db2.gz IVQPJCPRIVJNGK-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238229699 770107937 /nfs/dbraw/zinc/10/79/37/770107937.db2.gz PWEYJRMSUZJYLE-HNNXBMFYSA-N 1 3 323.462 0.980 20 0 DCADHO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238229699 770107945 /nfs/dbraw/zinc/10/79/45/770107945.db2.gz PWEYJRMSUZJYLE-HNNXBMFYSA-N 1 3 323.462 0.980 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccsc1 ZINC001238241676 770108540 /nfs/dbraw/zinc/10/85/40/770108540.db2.gz KQLCJLQVMZYPRX-NSHDSACASA-N 1 3 315.464 0.901 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccsc1 ZINC001238241676 770108545 /nfs/dbraw/zinc/10/85/45/770108545.db2.gz KQLCJLQVMZYPRX-NSHDSACASA-N 1 3 315.464 0.901 20 0 DCADHO NCCS(=O)(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1 ZINC001238829675 770134437 /nfs/dbraw/zinc/13/44/37/770134437.db2.gz GTUKVMKWDSMNDM-HNNXBMFYSA-N 1 3 311.451 0.996 20 0 DCADHO CC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1 ZINC001238879729 770141721 /nfs/dbraw/zinc/14/17/21/770141721.db2.gz VNOXCKKWIXTZRY-UHFFFAOYSA-N 1 3 313.423 0.496 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001176753615 770169112 /nfs/dbraw/zinc/16/91/12/770169112.db2.gz IZRPBNHRJFVTMC-CHWSQXEVSA-N 1 3 300.447 0.465 20 0 DCADHO [NH3+]CCS(=O)(=O)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001239070307 770172559 /nfs/dbraw/zinc/17/25/59/770172559.db2.gz QSKLNECMOKHPNU-CVEARBPZSA-N 1 3 323.462 0.871 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948462 770250303 /nfs/dbraw/zinc/25/03/03/770250303.db2.gz YFUDWHVUUXRGKS-HNNXBMFYSA-N 1 3 323.437 0.465 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCCCC1 ZINC001176980445 770268064 /nfs/dbraw/zinc/26/80/64/770268064.db2.gz GYTKLTWMTFUEGI-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1cnnn1C ZINC001178045200 770598539 /nfs/dbraw/zinc/59/85/39/770598539.db2.gz GIMCIWIIDPUKJD-HNNXBMFYSA-N 1 3 322.457 0.676 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001178356018 770732139 /nfs/dbraw/zinc/73/21/39/770732139.db2.gz GRPQWZRSRVXALB-QEJZJMRPSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]([NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001178693010 770836518 /nfs/dbraw/zinc/83/65/18/770836518.db2.gz HJGCPYBIRMSELK-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431381 771003249 /nfs/dbraw/zinc/00/32/49/771003249.db2.gz XQROEZHAEBLGFM-JSGCOSHPSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179936135 771037029 /nfs/dbraw/zinc/03/70/29/771037029.db2.gz MLKDBFHSRXRLHQ-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179936135 771037032 /nfs/dbraw/zinc/03/70/32/771037032.db2.gz MLKDBFHSRXRLHQ-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@@H]1C ZINC001179982679 771042188 /nfs/dbraw/zinc/04/21/88/771042188.db2.gz CLRAJDAIALRFLB-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001181652996 771326638 /nfs/dbraw/zinc/32/66/38/771326638.db2.gz STEBKZXQKZWTRK-NEPJUHHUSA-N 1 3 305.369 0.553 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC2CCCCC2)C1 ZINC001151066350 771359007 /nfs/dbraw/zinc/35/90/07/771359007.db2.gz TUECVGDJZUCKBG-OAHLLOKOSA-N 1 3 324.469 0.340 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC2CCCCC2)C1 ZINC001151066350 771359010 /nfs/dbraw/zinc/35/90/10/771359010.db2.gz TUECVGDJZUCKBG-OAHLLOKOSA-N 1 3 324.469 0.340 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182683726 771533789 /nfs/dbraw/zinc/53/37/89/771533789.db2.gz DYKZWYLULXFLFD-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182683726 771533794 /nfs/dbraw/zinc/53/37/94/771533794.db2.gz DYKZWYLULXFLFD-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113739 771538617 /nfs/dbraw/zinc/53/86/17/771538617.db2.gz MIBPBMYUEGNILP-KGLIPLIRSA-N 1 3 303.447 0.161 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113739 771538619 /nfs/dbraw/zinc/53/86/19/771538619.db2.gz MIBPBMYUEGNILP-KGLIPLIRSA-N 1 3 303.447 0.161 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1ccccc1)NC ZINC001157323188 771586748 /nfs/dbraw/zinc/58/67/48/771586748.db2.gz DAIZEMKQOWPJPL-LSDHHAIUSA-N 1 3 320.437 0.177 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)CC)C1 ZINC001183040860 771595772 /nfs/dbraw/zinc/59/57/72/771595772.db2.gz ZJUGKCVFUUIIJA-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)CC)C1 ZINC001183040860 771595776 /nfs/dbraw/zinc/59/57/76/771595776.db2.gz ZJUGKCVFUUIIJA-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)C(N)=O)C1 ZINC001183228736 771621524 /nfs/dbraw/zinc/62/15/24/771621524.db2.gz RUAUXHOHQNWNFH-XJKCOSOUSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1)N(C)C ZINC001183581141 771670077 /nfs/dbraw/zinc/67/00/77/771670077.db2.gz FIGXDLFLZMBICS-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@](O)(CF)CC1 ZINC001157780013 771670699 /nfs/dbraw/zinc/67/06/99/771670699.db2.gz AEBPBZJAONOEFO-BBRMVZONSA-N 1 3 313.417 0.574 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@](O)(CF)CC1 ZINC001157780013 771670702 /nfs/dbraw/zinc/67/07/02/771670702.db2.gz AEBPBZJAONOEFO-BBRMVZONSA-N 1 3 313.417 0.574 20 0 DCADHO CC1(C)CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)[C@](C)(CO)C1 ZINC001157927200 771695374 /nfs/dbraw/zinc/69/53/74/771695374.db2.gz VIJSMXADOOKCQV-BBRMVZONSA-N 1 3 309.454 0.870 20 0 DCADHO CC1(C)CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)[C@](C)(CO)C1 ZINC001157927200 771695375 /nfs/dbraw/zinc/69/53/75/771695375.db2.gz VIJSMXADOOKCQV-BBRMVZONSA-N 1 3 309.454 0.870 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158111026 771727654 /nfs/dbraw/zinc/72/76/54/771727654.db2.gz JETLWXQYXZMTLL-RYUDHWBXSA-N 1 3 301.456 0.017 20 0 DCADHO O=C([C@@H]1CNCc2ccnn2C1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168529 771733667 /nfs/dbraw/zinc/73/36/67/771733667.db2.gz HGVHMGOSRIHFHR-CYBMUJFWSA-N 1 3 303.410 0.347 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319836 771758702 /nfs/dbraw/zinc/75/87/02/771758702.db2.gz NMWWWZCRYHUIOC-KGLIPLIRSA-N 1 3 302.378 0.092 20 0 DCADHO C[C@@]1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CC[NH2+]C[C@H]1O ZINC001158328205 771760367 /nfs/dbraw/zinc/76/03/67/771760367.db2.gz WMCQDZYTGGTLHO-BVIKNXMNSA-N 1 3 315.417 0.445 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876091 771840972 /nfs/dbraw/zinc/84/09/72/771840972.db2.gz DRPBTHWEUZTCNS-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185170121 771872668 /nfs/dbraw/zinc/87/26/68/771872668.db2.gz NXQXEYDKGJRPTB-KGLIPLIRSA-N 1 3 324.469 0.278 20 0 DCADHO CCCC[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001185385255 771909098 /nfs/dbraw/zinc/90/90/98/771909098.db2.gz NNBJFLPPHQIDCM-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001159932373 771980022 /nfs/dbraw/zinc/98/00/22/771980022.db2.gz PWBVNFGXALKLCJ-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)C1=O ZINC001159931489 771980205 /nfs/dbraw/zinc/98/02/05/771980205.db2.gz DVURCYQZWIRFLA-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO COC[C@H]1COCCC12CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001160057060 771992840 /nfs/dbraw/zinc/99/28/40/771992840.db2.gz FIEDSCOQTDRMGN-KBPBESRZSA-N 1 3 313.442 0.344 20 0 DCADHO [NH3+]Cc1cc(-c2ccncc2)nn1-c1ncnc2c1CCNC2 ZINC001160338296 772026610 /nfs/dbraw/zinc/02/66/10/772026610.db2.gz VLPIUDGHDPXVQW-UHFFFAOYSA-N 1 3 307.361 0.829 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC(OCc2ccccc2)C1 ZINC001160491095 772048728 /nfs/dbraw/zinc/04/87/28/772048728.db2.gz SERMQUDVVZMMHX-OAHLLOKOSA-N 1 3 301.390 0.223 20 0 DCADHO CC(C)CC(=O)NC1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160498298 772050097 /nfs/dbraw/zinc/05/00/97/772050097.db2.gz JFOUPRHJZQRABO-INIZCTEOSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(=O)N(C)C ZINC001186554935 772054761 /nfs/dbraw/zinc/05/47/61/772054761.db2.gz JQKUXFZRJZBLPR-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO COC(=O)c1cccc2c1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160566074 772067437 /nfs/dbraw/zinc/06/74/37/772067437.db2.gz ZNADLLZLBBMDFA-OAHLLOKOSA-N 1 3 317.389 0.642 20 0 DCADHO CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160680091 772094110 /nfs/dbraw/zinc/09/41/10/772094110.db2.gz KGSLCYIHLJKLLL-JTQLQIEISA-N 1 3 305.444 0.196 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001186825068 772096540 /nfs/dbraw/zinc/09/65/40/772096540.db2.gz XXGGMXTWBBIGEP-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001186825068 772096545 /nfs/dbraw/zinc/09/65/45/772096545.db2.gz XXGGMXTWBBIGEP-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCc1noc([C@H]2CCCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)n1 ZINC001160741016 772104344 /nfs/dbraw/zinc/10/43/44/772104344.db2.gz DYPZGGSKDNZZMX-JSGCOSHPSA-N 1 3 321.425 0.665 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](N)C(C)(C)C)C[C@H]1C2 ZINC001160792509 772112068 /nfs/dbraw/zinc/11/20/68/772112068.db2.gz VRRXKEJIAXHGAB-UOSRWGBYSA-N 1 3 323.437 0.217 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001160883916 772132053 /nfs/dbraw/zinc/13/20/53/772132053.db2.gz YSCUMMMAYYRPEN-CYBMUJFWSA-N 1 3 300.447 0.289 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1)N(C)C ZINC001160882868 772132461 /nfs/dbraw/zinc/13/24/61/772132461.db2.gz AFHOUDAHKYFDBP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO N[C@@H](C(=O)N1CCC(Oc2cnccn2)CC1)C1CC[NH2+]CC1 ZINC001160889880 772133164 /nfs/dbraw/zinc/13/31/64/772133164.db2.gz FHDRQZPZXHTVSX-OAHLLOKOSA-N 1 3 319.409 0.173 20 0 DCADHO CN(CCC(=O)c1cccs1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160929326 772139360 /nfs/dbraw/zinc/13/93/60/772139360.db2.gz ZICJAUMCRDRIIQ-MLGOLLRUSA-N 1 3 321.446 0.978 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161011012 772149341 /nfs/dbraw/zinc/14/93/41/772149341.db2.gz PUAWIMRVALDLPD-AWEZNQCLSA-N 1 3 321.446 0.723 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001187291645 772161333 /nfs/dbraw/zinc/16/13/33/772161333.db2.gz YSRPEVPISJONQU-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001187291463 772161488 /nfs/dbraw/zinc/16/14/88/772161488.db2.gz UNIMZEHESJZMBR-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001187298324 772170351 /nfs/dbraw/zinc/17/03/51/772170351.db2.gz BOWLCIVZWYYCPA-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001187298324 772170353 /nfs/dbraw/zinc/17/03/53/772170353.db2.gz BOWLCIVZWYYCPA-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001187306729 772171703 /nfs/dbraw/zinc/17/17/03/772171703.db2.gz NLKMHMVCNRYIEZ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187306414 772172314 /nfs/dbraw/zinc/17/23/14/772172314.db2.gz IFOSROHFJXMCSC-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCOC(=O)[C@@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161459748 772226675 /nfs/dbraw/zinc/22/66/75/772226675.db2.gz BMBUIPYGWYTHOO-ZIAGYGMSSA-N 1 3 311.426 0.505 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825491 772237962 /nfs/dbraw/zinc/23/79/62/772237962.db2.gz NJLHBFOIJLCWDJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825491 772237964 /nfs/dbraw/zinc/23/79/64/772237964.db2.gz NJLHBFOIJLCWDJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccn2cc(CN(C)C(=O)[C@H]3C[NH2+]CC34CNC4)nc2c1 ZINC001161532097 772240403 /nfs/dbraw/zinc/24/04/03/772240403.db2.gz NDYNTKXVYZBJFL-CQSZACIVSA-N 1 3 313.405 0.410 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001188106765 772267144 /nfs/dbraw/zinc/26/71/44/772267144.db2.gz VUWRLEUEBDNMQC-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106708 772267193 /nfs/dbraw/zinc/26/71/93/772267193.db2.gz RTBZNHJZBZTWRH-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188317867 772287226 /nfs/dbraw/zinc/28/72/26/772287226.db2.gz UUIVWMVZUDXDSD-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001188346467 772290817 /nfs/dbraw/zinc/29/08/17/772290817.db2.gz POSVBTVNGHCUGO-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](F)CC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162871997 772427448 /nfs/dbraw/zinc/42/74/48/772427448.db2.gz CNPALZALLRVEPX-REWIBIJMSA-N 1 3 313.417 0.694 20 0 DCADHO CC[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872557 772428424 /nfs/dbraw/zinc/42/84/24/772428424.db2.gz WBZHIEQIKDNLBL-UJEKJILKSA-N 1 3 309.454 0.992 20 0 DCADHO [NH3+][C@H]1COC[C@H]1Nc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001162924561 772432392 /nfs/dbraw/zinc/43/23/92/772432392.db2.gz BBXLHZIVWZMQHB-ZNMIVQPWSA-N 1 3 302.378 0.738 20 0 DCADHO COC(=O)[C@@H](Nc1ccc2c(c1)COC21CNC1)C(C)(C)[NH3+] ZINC001162955510 772436206 /nfs/dbraw/zinc/43/62/06/772436206.db2.gz FFRLIOCMUAYAQW-CYBMUJFWSA-N 1 3 305.378 0.706 20 0 DCADHO NC1=CC=C(C2CCN(c3cc4c(nn3)CCNC4)CC2)[NH2+]C1 ZINC001163133825 772469412 /nfs/dbraw/zinc/46/94/12/772469412.db2.gz KVCLXLZKJRIEOD-UHFFFAOYSA-N 1 3 312.421 0.668 20 0 DCADHO CN1CCOc2c1cnnc2NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163163151 772475373 /nfs/dbraw/zinc/47/53/73/772475373.db2.gz HVUKSANGWYNPOU-WZRBSPASSA-N 1 3 305.382 0.342 20 0 DCADHO Cc1cc(CN)nn1-c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001163979797 772601163 /nfs/dbraw/zinc/60/11/63/772601163.db2.gz JRTZQHOXYBGKHO-UHFFFAOYSA-N 1 3 302.382 0.904 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001190371364 772624541 /nfs/dbraw/zinc/62/45/41/772624541.db2.gz SDZXGKVTYQJXHH-SOUVJXGZSA-N 1 3 322.453 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001190371364 772624544 /nfs/dbraw/zinc/62/45/44/772624544.db2.gz SDZXGKVTYQJXHH-SOUVJXGZSA-N 1 3 322.453 0.090 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465129 772740433 /nfs/dbraw/zinc/74/04/33/772740433.db2.gz UDTXCAYOEFFNGE-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001165776875 772761535 /nfs/dbraw/zinc/76/15/35/772761535.db2.gz MSXKPWBWLDVELI-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166003985 772777912 /nfs/dbraw/zinc/77/79/12/772777912.db2.gz AATWUWSNGYVVPX-OAHLLOKOSA-N 1 3 314.474 0.585 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)nn1C ZINC001166004801 772778247 /nfs/dbraw/zinc/77/82/47/772778247.db2.gz YKKIEVOBDWRBAA-OAHLLOKOSA-N 1 3 309.458 0.911 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001166627441 772830880 /nfs/dbraw/zinc/83/08/80/772830880.db2.gz VTWHIHZPNWFYLY-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001166627143 772830904 /nfs/dbraw/zinc/83/09/04/772830904.db2.gz QYFMTMRMAHFRJC-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001166627120 772831261 /nfs/dbraw/zinc/83/12/61/772831261.db2.gz QJBCUWNZCFDTLA-CQSZACIVSA-N 1 3 307.442 0.543 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667840 772837651 /nfs/dbraw/zinc/83/76/51/772837651.db2.gz JGTYXMFUNBKVFA-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668028 772837659 /nfs/dbraw/zinc/83/76/59/772837659.db2.gz OOJQKGNRFHMISW-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166668028 772837661 /nfs/dbraw/zinc/83/76/61/772837661.db2.gz OOJQKGNRFHMISW-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001166677786 772838999 /nfs/dbraw/zinc/83/89/99/772838999.db2.gz MYSHTAVPGJMLFE-CQSZACIVSA-N 1 3 319.453 0.767 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001166677786 772839003 /nfs/dbraw/zinc/83/90/03/772839003.db2.gz MYSHTAVPGJMLFE-CQSZACIVSA-N 1 3 319.453 0.767 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001166678174 772839680 /nfs/dbraw/zinc/83/96/80/772839680.db2.gz UHYGTSOPZAFYLM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001166744161 772855035 /nfs/dbraw/zinc/85/50/35/772855035.db2.gz KLWDXQKPOPROLG-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001166865216 772872749 /nfs/dbraw/zinc/87/27/49/772872749.db2.gz CNXQHJFCNSDCRH-HNNXBMFYSA-N 1 3 309.458 0.936 20 0 DCADHO COC(=O)C1(Nc2ccc3c(c2)COC32CNC2)CC[NH2+]CC1 ZINC001166969256 772893290 /nfs/dbraw/zinc/89/32/90/772893290.db2.gz VJRVQWXWSBYQES-UHFFFAOYSA-N 1 3 317.389 0.722 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001204799250 772962418 /nfs/dbraw/zinc/96/24/18/772962418.db2.gz UYOGVSMSNSJHNO-HNNXBMFYSA-N 1 3 320.441 0.201 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(Cl)nn1C ZINC001192924906 772981124 /nfs/dbraw/zinc/98/11/24/772981124.db2.gz KFAHRJRBKZUYSC-UHFFFAOYSA-N 1 3 300.794 0.751 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457498 772993684 /nfs/dbraw/zinc/99/36/84/772993684.db2.gz BHQFJGBLZKGYKB-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCNC(=O)C2CC2)C1 ZINC001193277809 773036900 /nfs/dbraw/zinc/03/69/00/773036900.db2.gz BNNSWSJEUBWLQM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCNC(=O)C2CC2)C1 ZINC001193277809 773036901 /nfs/dbraw/zinc/03/69/01/773036901.db2.gz BNNSWSJEUBWLQM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCOCCO)C1 ZINC001193600455 773096002 /nfs/dbraw/zinc/09/60/02/773096002.db2.gz DHLBKNUQOQNAMN-HNNXBMFYSA-N 1 3 315.458 0.260 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCOCCO)C1 ZINC001193600455 773096004 /nfs/dbraw/zinc/09/60/04/773096004.db2.gz DHLBKNUQOQNAMN-HNNXBMFYSA-N 1 3 315.458 0.260 20 0 DCADHO CN1CCN(c2cncc(C(=O)N3CC[N@@H+]4CC[C@H]4C3)c2)CC1 ZINC001193944433 773135863 /nfs/dbraw/zinc/13/58/63/773135863.db2.gz CMPKDLAGQBFPRP-HNNXBMFYSA-N 1 3 315.421 0.364 20 0 DCADHO CN1CCN(c2cncc(C(=O)N3CC[N@H+]4CC[C@H]4C3)c2)CC1 ZINC001193944433 773135866 /nfs/dbraw/zinc/13/58/66/773135866.db2.gz CMPKDLAGQBFPRP-HNNXBMFYSA-N 1 3 315.421 0.364 20 0 DCADHO COC[C@H](O)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206953597 773147058 /nfs/dbraw/zinc/14/70/58/773147058.db2.gz VFOARCBJTJJUJR-OAHLLOKOSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001152136537 773252354 /nfs/dbraw/zinc/25/23/54/773252354.db2.gz DPBMBVCFXOABJF-GASCZTMLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001152136537 773252356 /nfs/dbraw/zinc/25/23/56/773252356.db2.gz DPBMBVCFXOABJF-GASCZTMLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001207687248 773269966 /nfs/dbraw/zinc/26/99/66/773269966.db2.gz BNXYFYUYWMENTG-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530130 773488038 /nfs/dbraw/zinc/48/80/38/773488038.db2.gz HBUIJDHBKGKEAH-KBUPBQIOSA-N 1 3 315.458 0.016 20 0 DCADHO COC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530130 773488043 /nfs/dbraw/zinc/48/80/43/773488043.db2.gz HBUIJDHBKGKEAH-KBUPBQIOSA-N 1 3 315.458 0.016 20 0 DCADHO COCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001208640034 773509734 /nfs/dbraw/zinc/50/97/34/773509734.db2.gz XQBZOCAKYHVZJF-DGNOSDGRSA-N 1 3 323.437 0.077 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313641 773589817 /nfs/dbraw/zinc/58/98/17/773589817.db2.gz FTBUBVCQVKAZMF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cn1 ZINC001209314823 773589840 /nfs/dbraw/zinc/58/98/40/773589840.db2.gz LDVUWAZNOOUFPA-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407692 773601469 /nfs/dbraw/zinc/60/14/69/773601469.db2.gz BAIGBMSGEQQQPX-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001209446779 773606090 /nfs/dbraw/zinc/60/60/90/773606090.db2.gz VFMAYBHOCOOBNI-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001210040393 773669960 /nfs/dbraw/zinc/66/99/60/773669960.db2.gz GFGCEBPOYBFATB-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C ZINC001210040393 773669966 /nfs/dbraw/zinc/66/99/66/773669966.db2.gz GFGCEBPOYBFATB-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210283422 773694995 /nfs/dbraw/zinc/69/49/95/773694995.db2.gz OQSORIRLOAABKX-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnn(CCOC)c1 ZINC001197481332 773751074 /nfs/dbraw/zinc/75/10/74/773751074.db2.gz GULDHNNIESMZSM-UHFFFAOYSA-N 1 3 310.402 0.207 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229402 773783283 /nfs/dbraw/zinc/78/32/83/773783283.db2.gz UIAIQWQDCLIKOS-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc2nonc2c1 ZINC001152427341 773888277 /nfs/dbraw/zinc/88/82/77/773888277.db2.gz WEANKZNWOASFFJ-UHFFFAOYSA-N 1 3 305.382 0.769 20 0 DCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198654335 773958046 /nfs/dbraw/zinc/95/80/46/773958046.db2.gz SKCVFPCYSURAQY-WRANKLGHSA-N 1 3 309.454 0.846 20 0 DCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198654335 773958051 /nfs/dbraw/zinc/95/80/51/773958051.db2.gz SKCVFPCYSURAQY-WRANKLGHSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057993 774021364 /nfs/dbraw/zinc/02/13/64/774021364.db2.gz ZDPUGICUCKDPJI-RBSFLKMASA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1cnn(C)c1 ZINC001215414064 774071064 /nfs/dbraw/zinc/07/10/64/774071064.db2.gz QPRLHLUATUGWTA-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001216002729 774099375 /nfs/dbraw/zinc/09/93/75/774099375.db2.gz ZWTZIPJVILEIEK-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754420 774133043 /nfs/dbraw/zinc/13/30/43/774133043.db2.gz TZRYZPBXAVZATR-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754420 774133047 /nfs/dbraw/zinc/13/30/47/774133047.db2.gz TZRYZPBXAVZATR-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO c1cc(O[C@@H]2CCOC3(C[NH2+]C3)C2)n2nc3c(c2n1)CNCC3 ZINC001218089544 774212192 /nfs/dbraw/zinc/21/21/92/774212192.db2.gz UGVMOCDOFXHJLF-LLVKDONJSA-N 1 3 315.377 0.275 20 0 DCADHO Cc1nc(NC(=O)[C@@H](N)CCC[NH3+])nc(C)c1Br ZINC001218513594 774233281 /nfs/dbraw/zinc/23/32/81/774233281.db2.gz KKJUJNDXSXYYNW-QMMMGPOBSA-N 1 3 316.203 0.861 20 0 DCADHO Cn1c(NC(=O)[C@@H](N)CCCC[NH+](C)C)nnc1C(F)(F)F ZINC001218515661 774233851 /nfs/dbraw/zinc/23/38/51/774233851.db2.gz SYYVUZQHHJRIIQ-QMMMGPOBSA-N 1 3 322.335 0.832 20 0 DCADHO [NH3+][C@@H](C(=O)Nc1n[n-]c(-c2ccncc2)n1)C1CC[NH2+]CC1 ZINC001218523794 774236259 /nfs/dbraw/zinc/23/62/59/774236259.db2.gz TUILHHDKTZKNNP-LLVKDONJSA-N 1 3 301.354 0.132 20 0 DCADHO CCc1cc(C(=O)OC)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)s1 ZINC001218546580 774243888 /nfs/dbraw/zinc/24/38/88/774243888.db2.gz GLCPHELMXYFOMX-LLVKDONJSA-N 1 3 323.418 0.845 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ncnn2cccc12 ZINC001218565828 774248545 /nfs/dbraw/zinc/24/85/45/774248545.db2.gz XWEDJVLFLKNDFH-LBPRGKRZSA-N 1 3 304.398 0.585 20 0 DCADHO N[C@@H](C(=O)Nc1cnc2ccc(Cl)nn12)C1CC[NH2+]CC1 ZINC001218568955 774250740 /nfs/dbraw/zinc/25/07/40/774250740.db2.gz WUDYIFOCTBWQKU-GFCCVEGCSA-N 1 3 308.773 0.648 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(-c2ccccc2)nn1CCO ZINC001218596784 774259921 /nfs/dbraw/zinc/25/99/21/774259921.db2.gz QWCUZFUULYBNDK-CYBMUJFWSA-N 1 3 317.393 0.547 20 0 DCADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1nc(Cl)ccc1N ZINC001218683963 774280254 /nfs/dbraw/zinc/28/02/54/774280254.db2.gz XYCJQLFUFOKYDW-YMTOWFKASA-N 1 3 309.801 0.479 20 0 DCADHO Cc1nc2[nH]cnc2c(NC(=O)[C@@H](N)CCCC[NH+](C)C)n1 ZINC001218699353 774283247 /nfs/dbraw/zinc/28/32/47/774283247.db2.gz IRQHFEVJNALZFQ-JTQLQIEISA-N 1 3 305.386 0.659 20 0 DCADHO O=C(Nc1nnccc1C(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001218801839 774306208 /nfs/dbraw/zinc/30/62/08/774306208.db2.gz RJJDMBLRUSGIKO-QMMMGPOBSA-N 1 3 301.272 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001115158984 774315472 /nfs/dbraw/zinc/31/54/72/774315472.db2.gz AYBVIEQXYPCFBC-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001115158984 774315480 /nfs/dbraw/zinc/31/54/80/774315480.db2.gz AYBVIEQXYPCFBC-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CCC2(CNC2)O1 ZINC001218936451 774330571 /nfs/dbraw/zinc/33/05/71/774330571.db2.gz AAGVSPLZFUSKPE-HNNXBMFYSA-N 1 3 301.390 0.834 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218964996 774336979 /nfs/dbraw/zinc/33/69/79/774336979.db2.gz BPLOQRKXBCJGAV-LSDHHAIUSA-N 1 3 313.442 0.132 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116856 774377070 /nfs/dbraw/zinc/37/70/70/774377070.db2.gz SHWAKKMGZQMEMZ-HNNXBMFYSA-N 1 3 314.393 0.328 20 0 DCADHO Nc1c(F)cccc1N(C(=O)[C@@H]1CNCCN1)C1CC[NH2+]CC1 ZINC001219283701 774434442 /nfs/dbraw/zinc/43/44/42/774434442.db2.gz YZYOWFPFFPIBST-ZDUSSCGKSA-N 1 3 321.400 0.054 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(=O)N(C)C ZINC001201051968 774445227 /nfs/dbraw/zinc/44/52/27/774445227.db2.gz BUOMGAOGDVVKPG-IUODEOHRSA-N 1 3 324.469 0.384 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201149927 774454915 /nfs/dbraw/zinc/45/49/15/774454915.db2.gz PFNLCOFIJDOOTC-GJZGRUSLSA-N 1 3 315.458 0.161 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNC/C=C\Cl)C1 ZINC001201320363 774487580 /nfs/dbraw/zinc/48/75/80/774487580.db2.gz YDTBSPGPXOEKSR-RJNRQISESA-N 1 3 303.834 0.898 20 0 DCADHO Cn1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)cn1 ZINC001201335847 774494928 /nfs/dbraw/zinc/49/49/28/774494928.db2.gz QHEHTQFITXKKDL-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)CC(C)(C)C ZINC001201410737 774510340 /nfs/dbraw/zinc/51/03/40/774510340.db2.gz JAUIRDSCDCKTFU-AWEZNQCLSA-N 1 3 315.458 0.164 20 0 DCADHO CC(C)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1CC1 ZINC001219673069 774576670 /nfs/dbraw/zinc/57/66/70/774576670.db2.gz DAUKAIICPDQQPX-KBPBESRZSA-N 1 3 324.469 0.739 20 0 DCADHO O=C(NCCC1(O)C[NH2+]C1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219696295 774582434 /nfs/dbraw/zinc/58/24/34/774582434.db2.gz GLKSTEOIBXYJEJ-HUUCEWRRSA-N 1 3 303.406 0.710 20 0 DCADHO O=C(NC1CC2(C1)CC[NH2+]CC2)c1cncc2c1CCNC2 ZINC001219783195 774606305 /nfs/dbraw/zinc/60/63/05/774606305.db2.gz ZVDPPXCVSRDZRP-UHFFFAOYSA-N 1 3 300.406 0.989 20 0 DCADHO O=C(NCc1noc2c1CNCC2)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001219809716 774615773 /nfs/dbraw/zinc/61/57/73/774615773.db2.gz RIVRDSNJJMQQRE-CQSZACIVSA-N 1 3 312.373 0.651 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)CC[NH+](C)C)CC2)ncn1 ZINC001202331608 774638047 /nfs/dbraw/zinc/63/80/47/774638047.db2.gz URMAFLKBDBYVSE-UHFFFAOYSA-N 1 3 305.426 0.817 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cccc2ncccc12 ZINC001220039709 774678346 /nfs/dbraw/zinc/67/83/46/774678346.db2.gz PGUQQLUQIJQVTJ-ZDUSSCGKSA-N 1 3 304.419 0.870 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220112792 774697087 /nfs/dbraw/zinc/69/70/87/774697087.db2.gz AMVXRMAPYYLYBZ-LSDHHAIUSA-N 1 3 309.410 0.601 20 0 DCADHO N[C@H](C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CCC(O)CC1 ZINC001220163884 774715868 /nfs/dbraw/zinc/71/58/68/774715868.db2.gz WKJCKHTWQMMHBM-FYZIQFAHSA-N 1 3 309.454 0.903 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(=O)N(C)C ZINC001202496510 774728646 /nfs/dbraw/zinc/72/86/46/774728646.db2.gz TXSQALUHDCYFOC-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCC(=O)c1c[nH]c2ccccc12 ZINC001220197826 774730908 /nfs/dbraw/zinc/73/09/08/774730908.db2.gz TWSNJFLIMFIYLB-ZDUSSCGKSA-N 1 3 302.378 0.923 20 0 DCADHO O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1ccc2c(n1)CCNC2 ZINC001220324130 774772101 /nfs/dbraw/zinc/77/21/01/774772101.db2.gz YLRMQXOKFLNOEX-DYVFJYSZSA-N 1 3 316.405 0.368 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220406557 774798858 /nfs/dbraw/zinc/79/88/58/774798858.db2.gz SSBUYHZVWMMGAI-UPJWGTAASA-N 1 3 309.410 0.319 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220406557 774798863 /nfs/dbraw/zinc/79/88/63/774798863.db2.gz SSBUYHZVWMMGAI-UPJWGTAASA-N 1 3 309.410 0.319 20 0 DCADHO O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220469267 774819388 /nfs/dbraw/zinc/81/93/88/774819388.db2.gz QPNMBUAQMJQCQC-DUFGSWQCSA-N 1 3 303.381 0.997 20 0 DCADHO [NH3+]CCOCCOCCNC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001220519168 774832819 /nfs/dbraw/zinc/83/28/19/774832819.db2.gz DZDJAPCBROYVNG-INIZCTEOSA-N 1 3 321.421 0.199 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001115241825 774834120 /nfs/dbraw/zinc/83/41/20/774834120.db2.gz PCODOQXCIVUMNI-CAOSSQGBSA-N 1 3 307.438 0.411 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001115241825 774834128 /nfs/dbraw/zinc/83/41/28/774834128.db2.gz PCODOQXCIVUMNI-CAOSSQGBSA-N 1 3 307.438 0.411 20 0 DCADHO COc1cc(OC)cc([C@H](C)NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001220573672 774849770 /nfs/dbraw/zinc/84/97/70/774849770.db2.gz SNYJDJZJTBUKQN-NHYWBVRUSA-N 1 3 319.405 0.690 20 0 DCADHO N=C(NC(=O)[C@@H](N)CSCC[NH3+])c1ccc2ccccc2n1 ZINC001220597001 774860556 /nfs/dbraw/zinc/86/05/56/774860556.db2.gz QRPHETGOWIZYIJ-NSHDSACASA-N 1 3 317.418 0.696 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001202531261 774884469 /nfs/dbraw/zinc/88/44/69/774884469.db2.gz DTKLHAIUMFSXCI-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680471 774887777 /nfs/dbraw/zinc/88/77/77/774887777.db2.gz DJDSEMLUIFMINT-AHDPXTMNSA-N 1 3 324.469 0.654 20 0 DCADHO O=C(NCC1Oc2ccccc2O1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220708776 774897094 /nfs/dbraw/zinc/89/70/94/774897094.db2.gz GZEWUWJPDLFMNO-BDJLRTHQSA-N 1 3 303.362 0.099 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1=O ZINC001220778682 774913634 /nfs/dbraw/zinc/91/36/34/774913634.db2.gz CFPLYIJDQNMGJM-MAZHCROVSA-N 1 3 308.426 0.247 20 0 DCADHO NC(C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)C(F)(F)F ZINC001220789040 774915434 /nfs/dbraw/zinc/91/54/34/774915434.db2.gz ITNKIZIXEVGBBO-GARJFASQSA-N 1 3 302.300 0.738 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C2(N)Cc3ccccc3C2)C[NH2+]C1 ZINC001220828537 774927538 /nfs/dbraw/zinc/92/75/38/774927538.db2.gz QEYCFDHENSUCIF-UHFFFAOYSA-N 1 3 315.373 0.019 20 0 DCADHO [NH3+]C[C@@H](O)CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926737 774954391 /nfs/dbraw/zinc/95/43/91/774954391.db2.gz XYSZWLDFHUPILT-HNNXBMFYSA-N 1 3 306.410 0.120 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936080 774956181 /nfs/dbraw/zinc/95/61/81/774956181.db2.gz CDFQHWISHAIYPJ-CVEARBPZSA-N 1 3 321.421 0.415 20 0 DCADHO O=C(NCC1(CC2CCC2)CCOCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221179181 775018388 /nfs/dbraw/zinc/01/83/88/775018388.db2.gz LSZOUBZTJXAZFZ-OAHLLOKOSA-N 1 3 321.465 0.899 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250514 775043522 /nfs/dbraw/zinc/04/35/22/775043522.db2.gz NEYCJSUATZOLLV-YLQAJVPDSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CCC[NH3+])C1 ZINC001221365232 775077035 /nfs/dbraw/zinc/07/70/35/775077035.db2.gz YAPOHMSHYGTTTM-UTUOFQBUSA-N 1 3 314.430 0.615 20 0 DCADHO O=C(NC[C@@H](CO)c1ccccc1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221377689 775080549 /nfs/dbraw/zinc/08/05/49/775080549.db2.gz OVIPFZHFATXVCE-JKSUJKDBSA-N 1 3 317.433 0.753 20 0 DCADHO O=C(NC[C@@H](CO)c1ccccc1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221377689 775080553 /nfs/dbraw/zinc/08/05/53/775080553.db2.gz OVIPFZHFATXVCE-JKSUJKDBSA-N 1 3 317.433 0.753 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095533723 775213074 /nfs/dbraw/zinc/21/30/74/775213074.db2.gz KZYVCMZKCXIOBA-FZKCQIBNSA-N 1 3 309.454 0.963 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095533723 775213084 /nfs/dbraw/zinc/21/30/84/775213084.db2.gz KZYVCMZKCXIOBA-FZKCQIBNSA-N 1 3 309.454 0.963 20 0 DCADHO COC[C@@H](C)N1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950496 775232519 /nfs/dbraw/zinc/23/25/19/775232519.db2.gz KNGDNSOVCLYZJA-RBSFLKMASA-N 1 3 313.442 0.132 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC)CC[N@@H+]1C ZINC001226332975 775801381 /nfs/dbraw/zinc/80/13/81/775801381.db2.gz DEHILPMAWGAZMT-GBJTYRQASA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC)CC[N@H+]1C ZINC001226332975 775801388 /nfs/dbraw/zinc/80/13/88/775801388.db2.gz DEHILPMAWGAZMT-GBJTYRQASA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001226565287 775836990 /nfs/dbraw/zinc/83/69/90/775836990.db2.gz ZCBLEEXOZMLWCK-YNEHKIRRSA-N 1 3 316.421 0.169 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(CO)cc3)C[C@H]21 ZINC001114778206 776116064 /nfs/dbraw/zinc/11/60/64/776116064.db2.gz GTNRAVRBDREKDL-VQFNDLOPSA-N 1 3 317.433 0.677 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001114794779 776135161 /nfs/dbraw/zinc/13/51/61/776135161.db2.gz PQZDGVCPAHFMOP-FXUDXRNXSA-N 1 3 319.453 0.516 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001114794779 776135168 /nfs/dbraw/zinc/13/51/68/776135168.db2.gz PQZDGVCPAHFMOP-FXUDXRNXSA-N 1 3 319.453 0.516 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230257084 776269306 /nfs/dbraw/zinc/26/93/06/776269306.db2.gz JOSRVODMUCGLBG-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C)C(N)=O ZINC001230284619 776276290 /nfs/dbraw/zinc/27/62/90/776276290.db2.gz NYCPVMASFBYIPO-MGPQQGTHSA-N 1 3 312.458 0.608 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587445 945086189 /nfs/dbraw/zinc/08/61/89/945086189.db2.gz KKIKHNNDSLFOHZ-INIZCTEOSA-N 1 3 319.453 0.618 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001278028346 945103351 /nfs/dbraw/zinc/10/33/51/945103351.db2.gz KWHFLOOKGUSIGP-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001278028346 945103356 /nfs/dbraw/zinc/10/33/56/945103356.db2.gz KWHFLOOKGUSIGP-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001278028346 945103359 /nfs/dbraw/zinc/10/33/59/945103359.db2.gz KWHFLOOKGUSIGP-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO C[NH+]1CCC(NC(=O)C2=NO[C@@H]3CN(CCC4CC4)C[C@H]23)CC1 ZINC001278209084 945180599 /nfs/dbraw/zinc/18/05/99/945180599.db2.gz FWXBWXIOYWXCOG-LSDHHAIUSA-N 1 3 320.437 0.684 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001480866309 939055050 /nfs/dbraw/zinc/05/50/50/939055050.db2.gz YFUQSKYZDKZYAF-GDBMZVCRSA-N 1 3 321.469 0.834 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001480866309 939055053 /nfs/dbraw/zinc/05/50/53/939055053.db2.gz YFUQSKYZDKZYAF-GDBMZVCRSA-N 1 3 321.469 0.834 20 0 DCADHO CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267181457 939374550 /nfs/dbraw/zinc/37/45/50/939374550.db2.gz KBDSEGVPJQDPEB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267181457 939374553 /nfs/dbraw/zinc/37/45/53/939374553.db2.gz KBDSEGVPJQDPEB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001267355682 939432881 /nfs/dbraw/zinc/43/28/81/939432881.db2.gz YTCHZEAXFJPRDS-HZPDHXFCSA-N 1 3 305.422 0.862 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]Cc2ccn(C)c(=O)c2)CCC1 ZINC001481239797 939661991 /nfs/dbraw/zinc/66/19/91/939661991.db2.gz YXZGBCKBNLQKEZ-UHFFFAOYSA-N 1 3 320.437 0.418 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C)C1CCC1 ZINC001408845239 939693727 /nfs/dbraw/zinc/69/37/27/939693727.db2.gz SHWNTDKBXBENPR-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001481286881 939715220 /nfs/dbraw/zinc/71/52/20/939715220.db2.gz CYFJJXXIZJUKBD-UHFFFAOYSA-N 1 3 308.430 0.393 20 0 DCADHO CN(C)C(=O)CNCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481301751 939731207 /nfs/dbraw/zinc/73/12/07/939731207.db2.gz CEGBZHIYEACPJM-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001481303277 939733348 /nfs/dbraw/zinc/73/33/48/939733348.db2.gz XUVYIINKJWLFAK-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481303277 939733350 /nfs/dbraw/zinc/73/33/50/939733350.db2.gz XUVYIINKJWLFAK-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CCO)c2ccccc2)C1 ZINC001481370441 939761600 /nfs/dbraw/zinc/76/16/00/939761600.db2.gz FAVLYUPKGQNXOG-ZBFHGGJFSA-N 1 3 305.422 0.768 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)n1 ZINC001268087112 939932531 /nfs/dbraw/zinc/93/25/31/939932531.db2.gz SOKKZANCJWBZCV-LLVKDONJSA-N 1 3 320.397 0.713 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)CCC1 ZINC001481629336 939980704 /nfs/dbraw/zinc/98/07/04/939980704.db2.gz FLLUMHPFMZPNMP-DOTOQJQBSA-N 1 3 321.465 0.945 20 0 DCADHO CCOCCN1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481728044 940092310 /nfs/dbraw/zinc/09/23/10/940092310.db2.gz KYSWGPDVCHBPOV-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001481740102 940102163 /nfs/dbraw/zinc/10/21/63/940102163.db2.gz KOGJQWLAOWLBBP-HNNXBMFYSA-N 1 3 307.442 0.447 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001268399864 940105185 /nfs/dbraw/zinc/10/51/85/940105185.db2.gz NCXZPBHRXRZOJG-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001481929555 940185898 /nfs/dbraw/zinc/18/58/98/940185898.db2.gz BMPBCCGMIQHUCC-SJKOYZFVSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001481929556 940185906 /nfs/dbraw/zinc/18/59/06/940185906.db2.gz BMPBCCGMIQHUCC-YVEFUNNKSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001268539742 940224116 /nfs/dbraw/zinc/22/41/16/940224116.db2.gz WXSWOPLVRXLJCX-UZYOAWRESA-N 1 3 324.469 0.777 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)COc1ccccc1 ZINC001246017257 945317785 /nfs/dbraw/zinc/31/77/85/945317785.db2.gz ASIOFXZZRBKLKK-ZFWWWQNUSA-N 1 3 309.410 0.260 20 0 DCADHO CN(CCC[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCCN1C ZINC001268811656 940369391 /nfs/dbraw/zinc/36/93/91/940369391.db2.gz PDGDHJDOKKUCJU-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001269741750 940768123 /nfs/dbraw/zinc/76/81/23/940768123.db2.gz OXSNMJNLOPUUQZ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001270263418 940867702 /nfs/dbraw/zinc/86/77/02/940867702.db2.gz MVYNQTDJZMTAEQ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001422455947 940875828 /nfs/dbraw/zinc/87/58/28/940875828.db2.gz QHIMJHZCWAEQHS-QWHCGFSZSA-N 1 3 300.447 0.334 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246181745 945358186 /nfs/dbraw/zinc/35/81/86/945358186.db2.gz RQTSJTRPPRNWFO-HEHGZKQESA-N 1 3 311.426 0.171 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1)[NH+](C)C ZINC001482295126 940917544 /nfs/dbraw/zinc/91/75/44/940917544.db2.gz RUBVUOWGKSLGQU-WFASDCNBSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482331001 940999238 /nfs/dbraw/zinc/99/92/38/940999238.db2.gz NIZDSBVCVHMPTJ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482331001 940999240 /nfs/dbraw/zinc/99/92/40/940999240.db2.gz NIZDSBVCVHMPTJ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)CCCC[NH+](C)C ZINC001482353481 941016891 /nfs/dbraw/zinc/01/68/91/941016891.db2.gz CIMVIOIKIWFQOK-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)n1 ZINC001482364160 941021879 /nfs/dbraw/zinc/02/18/79/941021879.db2.gz CHIPIMWQWJAPRP-ZDUSSCGKSA-N 1 3 323.441 0.843 20 0 DCADHO CN(CC(=O)N1CCCC[C@H]1CC[NH2+]CC(N)=O)C1CCC1 ZINC001482451017 941247904 /nfs/dbraw/zinc/24/79/04/941247904.db2.gz QEONFWNQACRFRG-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001409063288 941303458 /nfs/dbraw/zinc/30/34/58/941303458.db2.gz WJMCZUHPYBNTHK-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)C(C)(C)[N@H+](C)CC)C1)N(C)C ZINC001409111050 941529837 /nfs/dbraw/zinc/52/98/37/941529837.db2.gz YWYWNWXVJFPXIE-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1)N(C)C ZINC001409111050 941529841 /nfs/dbraw/zinc/52/98/41/941529841.db2.gz YWYWNWXVJFPXIE-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001409386374 941974808 /nfs/dbraw/zinc/97/48/08/941974808.db2.gz QUUVXORVOARGLE-OLZOCXBDSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cccn1 ZINC001483232498 941974943 /nfs/dbraw/zinc/97/49/43/941974943.db2.gz DBHPHOXRMUVUHO-GJZGRUSLSA-N 1 3 307.442 0.852 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC(=O)N1CCC1 ZINC001409402396 941982473 /nfs/dbraw/zinc/98/24/73/941982473.db2.gz MIGNIPWRHBGVJO-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H]1CCc2ncnn21)NC(=O)CN(C)C1CCC1 ZINC001483235565 942038218 /nfs/dbraw/zinc/03/82/18/942038218.db2.gz VUMWSWKQCBQUAL-JSGCOSHPSA-N 1 3 320.441 0.344 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)C(C)(C)O)CC2)CC1 ZINC001412964559 942160765 /nfs/dbraw/zinc/16/07/65/942160765.db2.gz LKMPIGLJCGMWLM-OAHLLOKOSA-N 1 3 313.486 0.468 20 0 DCADHO C[C@@H](CN(C)C[C@H]1CCc2ncnn21)NC(=O)CC[NH+](C)C ZINC001483381236 942314634 /nfs/dbraw/zinc/31/46/34/942314634.db2.gz IXGONJNUPFJYAP-QWHCGFSZSA-N 1 3 308.430 0.154 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CN1CCCC1 ZINC001483509571 942395220 /nfs/dbraw/zinc/39/52/20/942395220.db2.gz NIMCXFIZAMLNNO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CCC[NH2+]CCc1cnn(C)c1)C(=O)CN1CCCC1 ZINC001483509380 942396017 /nfs/dbraw/zinc/39/60/17/942396017.db2.gz KHGXLSUMYLBFRN-UHFFFAOYSA-N 1 3 307.442 0.497 20 0 DCADHO CCNC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001496603093 942413915 /nfs/dbraw/zinc/41/39/15/942413915.db2.gz NNGUZIWCCJKBIF-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001483560274 942418280 /nfs/dbraw/zinc/41/82/80/942418280.db2.gz DJKIXAWLFPLJDR-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001127067136 942427697 /nfs/dbraw/zinc/42/76/97/942427697.db2.gz WZHKTQQWIIYEQH-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001127067136 942427701 /nfs/dbraw/zinc/42/77/01/942427701.db2.gz WZHKTQQWIIYEQH-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)CCC1 ZINC001493210083 942429142 /nfs/dbraw/zinc/42/91/42/942429142.db2.gz GMLKKWQMRURWMF-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CCC1 ZINC001493210083 942429143 /nfs/dbraw/zinc/42/91/43/942429143.db2.gz GMLKKWQMRURWMF-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCNC(=O)C3CC3)CC2)CCC1 ZINC001483740789 942840175 /nfs/dbraw/zinc/84/01/75/942840175.db2.gz RJXVPEXUSDVICR-UHFFFAOYSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1([NH+](C)C)CCCC1 ZINC001434121196 942888565 /nfs/dbraw/zinc/88/85/65/942888565.db2.gz YUQOHDRVZNTLOK-CYBMUJFWSA-N 1 3 310.442 0.439 20 0 DCADHO C[C@H](NC1(CNC(=O)CC2CC[NH+](C)CC2)CC1)C(=O)N(C)C ZINC001483772953 942934659 /nfs/dbraw/zinc/93/46/59/942934659.db2.gz FHKBWBHZGFVZJC-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001483942425 943041381 /nfs/dbraw/zinc/04/13/81/943041381.db2.gz MYVMLTYDNTXQBD-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001484000052 943074278 /nfs/dbraw/zinc/07/42/78/943074278.db2.gz AAMBUADAWIMMEO-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001484000052 943074285 /nfs/dbraw/zinc/07/42/85/943074285.db2.gz AAMBUADAWIMMEO-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CCCC1 ZINC001484013956 943083257 /nfs/dbraw/zinc/08/32/57/943083257.db2.gz GDGCYNQHJUZLSW-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2)CC(C)(C)C ZINC001484320175 943320612 /nfs/dbraw/zinc/32/06/12/943320612.db2.gz JHWRWADDGVLLHK-KKUMJFAQSA-N 1 3 311.470 0.926 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2)CC(C)(C)C ZINC001484320175 943320616 /nfs/dbraw/zinc/32/06/16/943320616.db2.gz JHWRWADDGVLLHK-KKUMJFAQSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CCO)CC2)C1 ZINC001484395659 943348348 /nfs/dbraw/zinc/34/83/48/943348348.db2.gz AHQPEVMUFPRXOX-JYJNAYRXSA-N 1 3 311.470 0.833 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)NC)C[C@H]2C1 ZINC001484414304 943361966 /nfs/dbraw/zinc/36/19/66/943361966.db2.gz IBTIFVNVSOVUJW-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)NC)C[C@H]2C1 ZINC001484414304 943361975 /nfs/dbraw/zinc/36/19/75/943361975.db2.gz IBTIFVNVSOVUJW-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001484544612 943447475 /nfs/dbraw/zinc/44/74/75/943447475.db2.gz XQGHHFYHODWOIH-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001484549574 943450634 /nfs/dbraw/zinc/45/06/34/943450634.db2.gz KQEWUNWNQBVWLS-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001484660743 943497898 /nfs/dbraw/zinc/49/78/98/943497898.db2.gz OSYWHUQPQNEYCF-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001484660743 943497899 /nfs/dbraw/zinc/49/78/99/943497899.db2.gz OSYWHUQPQNEYCF-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCC[NH2+]CC(=O)Nc1ccon1)C(=O)CN1CCCC1 ZINC001276386626 943603045 /nfs/dbraw/zinc/60/30/45/943603045.db2.gz HJCQWKOEBKAFKY-UHFFFAOYSA-N 1 3 323.397 0.147 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001490957927 943688497 /nfs/dbraw/zinc/68/84/97/943688497.db2.gz HRJJSKOQSATIJM-HDJSIYSDSA-N 1 3 310.442 0.090 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485158060 943730039 /nfs/dbraw/zinc/73/00/39/943730039.db2.gz WZJAHKPDQZUAKA-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001485159143 943732547 /nfs/dbraw/zinc/73/25/47/943732547.db2.gz UXMWWGOMKZDQBF-OLZOCXBDSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CC(C)(C)C[NH2+]CCn1cccn1)C(=O)Cc1c[nH]cn1 ZINC001485259740 943775716 /nfs/dbraw/zinc/77/57/16/943775716.db2.gz AJMDFCGDQVYAFF-UHFFFAOYSA-N 1 3 318.425 0.923 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCn1cccn1 ZINC001485351609 943867879 /nfs/dbraw/zinc/86/78/79/943867879.db2.gz VJYMQFYKEMUURQ-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCn1cccn1 ZINC001485351609 943867886 /nfs/dbraw/zinc/86/78/86/943867886.db2.gz VJYMQFYKEMUURQ-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCO[C@H]1CC1(F)F ZINC001491479664 944032503 /nfs/dbraw/zinc/03/25/03/944032503.db2.gz YBAQCRSUJZBBTO-RYUDHWBXSA-N 1 3 319.396 0.989 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC001491493522 944042200 /nfs/dbraw/zinc/04/22/00/944042200.db2.gz OICBNDHTIVYGNU-DZGCQCFKSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H]2CCN(CC)C2=O)CC1 ZINC001203010395 944142612 /nfs/dbraw/zinc/14/26/12/944142612.db2.gz LUSSALOEBDDWFL-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+]C1CCN(c2nccc(N[C@H]3CN4CCC3CC4)n2)CC1 ZINC001163386691 944157548 /nfs/dbraw/zinc/15/75/48/944157548.db2.gz WKPFCXAGKGMQPH-AWEZNQCLSA-N 1 3 302.426 0.910 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001485814265 944161581 /nfs/dbraw/zinc/16/15/81/944161581.db2.gz QOYUFDIEUFDBGY-ZIAGYGMSSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCn1cccn1 ZINC001485881784 944378282 /nfs/dbraw/zinc/37/82/82/944378282.db2.gz KTPLQBULFYEYSU-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001486135788 944589493 /nfs/dbraw/zinc/58/94/93/944589493.db2.gz QSXPWHXDCIPCJJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001277046353 944639418 /nfs/dbraw/zinc/63/94/18/944639418.db2.gz OWTIFEWULZRXGF-VGWMRTNUSA-N 1 3 311.470 0.974 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCF)CCC1 ZINC001486337859 944797787 /nfs/dbraw/zinc/79/77/87/944797787.db2.gz ZVIOUJKJJMEYTO-ZDUSSCGKSA-N 1 3 303.422 0.581 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCF)CCC1 ZINC001486337859 944797796 /nfs/dbraw/zinc/79/77/96/944797796.db2.gz ZVIOUJKJJMEYTO-ZDUSSCGKSA-N 1 3 303.422 0.581 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CCn4ccnc4)CC3)[C@H]2C1 ZINC001277544658 944873734 /nfs/dbraw/zinc/87/37/34/944873734.db2.gz MQIKELNLELGFRN-KBPBESRZSA-N 1 3 303.410 0.025 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(CCn4ccnc4)CC3)[C@H]2C1 ZINC001277544658 944873742 /nfs/dbraw/zinc/87/37/42/944873742.db2.gz MQIKELNLELGFRN-KBPBESRZSA-N 1 3 303.410 0.025 20 0 DCADHO COC(=O)CCN1CCC[C@@]2(C1)CN(CC[NH+](C)C)CCO2 ZINC001277871614 945016318 /nfs/dbraw/zinc/01/63/18/945016318.db2.gz MJJXKXQGEWPBBZ-MRXNPFEDSA-N 1 3 313.442 0.278 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246618406 945443035 /nfs/dbraw/zinc/44/30/35/945443035.db2.gz FETZNPOOVMDWFQ-ZACQAIPSSA-N 1 3 317.433 0.797 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2CN([C@@H]3CC[NH2+][C@H](C(C)C)C3)C[C@@H]2N1 ZINC001246671524 945459073 /nfs/dbraw/zinc/45/90/73/945459073.db2.gz SIFPGSLZTQJTCR-LJIZCISZSA-N 1 3 309.454 0.988 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CCN1 ZINC001246719840 945473477 /nfs/dbraw/zinc/47/34/77/945473477.db2.gz CNIJTNBJQTVJND-UYJHQMFVSA-N 1 3 323.437 0.218 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CCN1 ZINC001246719840 945473480 /nfs/dbraw/zinc/47/34/80/945473480.db2.gz CNIJTNBJQTVJND-UYJHQMFVSA-N 1 3 323.437 0.218 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CCN1 ZINC001246748524 945481140 /nfs/dbraw/zinc/48/11/40/945481140.db2.gz YQNRZIJGODXUDA-LJIZCISZSA-N 1 3 323.437 0.485 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CCN1 ZINC001246748524 945481147 /nfs/dbraw/zinc/48/11/47/945481147.db2.gz YQNRZIJGODXUDA-LJIZCISZSA-N 1 3 323.437 0.485 20 0 DCADHO COc1cccc(-c2noc(C34CNCC3C[NH2+]C4)n2)c1F ZINC001247852856 945578695 /nfs/dbraw/zinc/57/86/95/945578695.db2.gz UXCJOMAAAKZMDN-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO CN1CC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1=O ZINC001320380731 945848540 /nfs/dbraw/zinc/84/85/40/945848540.db2.gz BQYWDCWPSRXUET-HNNXBMFYSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]CC(=O)NC(C)(C)C ZINC001320644025 945960261 /nfs/dbraw/zinc/96/02/61/945960261.db2.gz JGBSCVZWHSIVMT-CYBMUJFWSA-N 1 3 314.474 0.726 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC001410170065 945976339 /nfs/dbraw/zinc/97/63/39/945976339.db2.gz JOGCOXJJRUEUBS-CQSZACIVSA-N 1 3 315.433 0.583 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001410170065 945976344 /nfs/dbraw/zinc/97/63/44/945976344.db2.gz JOGCOXJJRUEUBS-CQSZACIVSA-N 1 3 315.433 0.583 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)N(C)C)C1 ZINC001253212251 946096641 /nfs/dbraw/zinc/09/66/41/946096641.db2.gz GXLDOADGIUGPPT-KBPBESRZSA-N 1 3 300.447 0.425 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001410259744 946105161 /nfs/dbraw/zinc/10/51/61/946105161.db2.gz OTNICLHMNQRSOB-AWEZNQCLSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001410259744 946105168 /nfs/dbraw/zinc/10/51/68/946105168.db2.gz OTNICLHMNQRSOB-AWEZNQCLSA-N 1 3 310.442 0.138 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001321096097 946164457 /nfs/dbraw/zinc/16/44/57/946164457.db2.gz GGESGNNVRNQINF-SWVJOTTGSA-N 1 3 322.453 0.401 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001321096097 946164465 /nfs/dbraw/zinc/16/44/65/946164465.db2.gz GGESGNNVRNQINF-SWVJOTTGSA-N 1 3 322.453 0.401 20 0 DCADHO O=C(NC/C=C\CN[C@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001321134442 946184273 /nfs/dbraw/zinc/18/42/73/946184273.db2.gz DIFLIJIAJTYDPN-BOPNBLERSA-N 1 3 320.437 0.155 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001410327249 946195965 /nfs/dbraw/zinc/19/59/65/946195965.db2.gz USCZIPRTECECHI-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001410334394 946205340 /nfs/dbraw/zinc/20/53/40/946205340.db2.gz SWWOINHFRUTNOR-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001410388993 946290109 /nfs/dbraw/zinc/29/01/09/946290109.db2.gz VRUUVBZHVITAOV-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC1CC1 ZINC001410388993 946290120 /nfs/dbraw/zinc/29/01/20/946290120.db2.gz VRUUVBZHVITAOV-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO Cn1nccc1CC[NH2+]C/C=C/CNC(=O)CN1CCCC1 ZINC001321406488 946316541 /nfs/dbraw/zinc/31/65/41/946316541.db2.gz XAQLNNFXNJKJNV-NSCUHMNNSA-N 1 3 305.426 0.320 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001410501172 946491690 /nfs/dbraw/zinc/49/16/90/946491690.db2.gz ISOKUGUMECIEJO-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@H](N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001255430291 946499513 /nfs/dbraw/zinc/49/95/13/946499513.db2.gz GLXPWRGUPZTOLQ-YHUYYLMFSA-N 1 3 317.437 0.612 20 0 DCADHO CCC[N@H+]1C[C@H]2CN([C@H](C)CC(=O)N3CCOCC3)C[C@H]2C1 ZINC001256350302 946623080 /nfs/dbraw/zinc/62/30/80/946623080.db2.gz TVMJHECNLNRMLJ-OAGGEKHMSA-N 1 3 309.454 0.897 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN([C@H](C)CC(=O)N3CCOCC3)C[C@H]2C1 ZINC001256350302 946623085 /nfs/dbraw/zinc/62/30/85/946623085.db2.gz TVMJHECNLNRMLJ-OAGGEKHMSA-N 1 3 309.454 0.897 20 0 DCADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001256350302 946623090 /nfs/dbraw/zinc/62/30/90/946623090.db2.gz TVMJHECNLNRMLJ-OAGGEKHMSA-N 1 3 309.454 0.897 20 0 DCADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001256350302 946623092 /nfs/dbraw/zinc/62/30/92/946623092.db2.gz TVMJHECNLNRMLJ-OAGGEKHMSA-N 1 3 309.454 0.897 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC001273322957 946627289 /nfs/dbraw/zinc/62/72/89/946627289.db2.gz KPZZVJVBJQJOMF-UKRRQHHQSA-N 1 3 322.409 0.196 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001322694766 946771862 /nfs/dbraw/zinc/77/18/62/946771862.db2.gz ULKUJWLBZBVMCZ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO O=C1CO[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)CN1 ZINC001258135388 946804756 /nfs/dbraw/zinc/80/47/56/946804756.db2.gz DYIWLSJMZGONQX-QGZVFWFLSA-N 1 3 317.433 0.798 20 0 DCADHO Cc1nc(CN[C@H]2C[C@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001410859757 947041867 /nfs/dbraw/zinc/04/18/67/947041867.db2.gz MESVYSTVSCYAAD-AAEUAGOBSA-N 1 3 320.441 0.534 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001410952302 947161087 /nfs/dbraw/zinc/16/10/87/947161087.db2.gz IVCPDJQLLCCTCD-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1ccnn1C)N(C)C ZINC001324180181 947341461 /nfs/dbraw/zinc/34/14/61/947341461.db2.gz HFUJUQCSRNOPSB-JKSUJKDBSA-N 1 3 321.469 0.883 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC001261634915 947379690 /nfs/dbraw/zinc/37/96/90/947379690.db2.gz QPMDQOHVONCOMD-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CN1CCN(Cc2cccc(CN[C@H]3C[NH2+]CCOC3)c2)CC1 ZINC001262202484 947602075 /nfs/dbraw/zinc/60/20/75/947602075.db2.gz VNTKMNURTPCASP-SFHVURJKSA-N 1 3 318.465 0.512 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001325313127 947752256 /nfs/dbraw/zinc/75/22/56/947752256.db2.gz LSJXBTNFWARUCN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153653 947776986 /nfs/dbraw/zinc/77/69/86/947776986.db2.gz FNUJQFQCCDSNAE-WCVJEAGWSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)c1nc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001179472093 947848860 /nfs/dbraw/zinc/84/88/60/947848860.db2.gz GDRMZAMXSFAIKN-STQMWFEESA-N 1 3 322.457 0.959 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001179487106 947851337 /nfs/dbraw/zinc/85/13/37/947851337.db2.gz ZNGRNHDXKODHSE-MDZLAQPJSA-N 1 3 308.430 0.705 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1C ZINC001179534419 947854837 /nfs/dbraw/zinc/85/48/37/947854837.db2.gz LLCZOZPMCSGDFG-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]([NH2+]CCCCCCNC(=O)CN1CC[C@H](C)C1)C(N)=O ZINC001179586450 947870141 /nfs/dbraw/zinc/87/01/41/947870141.db2.gz OWJZKIBVZPPUTM-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001326302492 948124158 /nfs/dbraw/zinc/12/41/58/948124158.db2.gz GLBRGEYAEBIPGY-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001326330036 948131567 /nfs/dbraw/zinc/13/15/67/948131567.db2.gz DZTRBLXRLWLKOY-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001326847547 948301373 /nfs/dbraw/zinc/30/13/73/948301373.db2.gz RVJIWUMNWCQKJQ-MELADBBJSA-N 1 3 310.442 0.091 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001327049556 948379832 /nfs/dbraw/zinc/37/98/32/948379832.db2.gz SHAANYINWJMJBN-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001488192308 948597559 /nfs/dbraw/zinc/59/75/59/948597559.db2.gz DVVHDMHPPZAPMK-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001488595293 948971844 /nfs/dbraw/zinc/97/18/44/948971844.db2.gz NPLROYIMSATJDN-RUXDESIVSA-N 1 3 312.458 0.384 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001488832166 949294741 /nfs/dbraw/zinc/29/47/41/949294741.db2.gz SYYXJBWGEQMKHF-YDHLFZDLSA-N 1 3 322.453 0.234 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001488879614 949345138 /nfs/dbraw/zinc/34/51/38/949345138.db2.gz FJHWDIDJIJLYLO-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@@H]1CCN(C)C1=O ZINC001265145967 949371566 /nfs/dbraw/zinc/37/15/66/949371566.db2.gz HOSVNSSLDDXAJY-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@@H]1CCN(C)C1=O ZINC001265145967 949371588 /nfs/dbraw/zinc/37/15/88/949371588.db2.gz HOSVNSSLDDXAJY-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO O[C@@H](CN1CCC(O)(C[NH+]2CCCCC2)CC1)C1(O)CCC1 ZINC001364545545 949530742 /nfs/dbraw/zinc/53/07/42/949530742.db2.gz JGTNDUREPSHKAG-HNNXBMFYSA-N 1 3 312.454 0.575 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001489745188 949981845 /nfs/dbraw/zinc/98/18/45/949981845.db2.gz DXELSABTEJOROO-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001489745188 949981858 /nfs/dbraw/zinc/98/18/58/949981858.db2.gz DXELSABTEJOROO-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001265878420 950076829 /nfs/dbraw/zinc/07/68/29/950076829.db2.gz BTADWTHMENEPHS-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001489847350 950156335 /nfs/dbraw/zinc/15/63/35/950156335.db2.gz HKSDCOTUPFRQCE-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001331119088 950929375 /nfs/dbraw/zinc/92/93/75/950929375.db2.gz LSKRRXVOYQQYDL-RFGFWPKPSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331160852 950977802 /nfs/dbraw/zinc/97/78/02/950977802.db2.gz LWPQKAYLMWADOU-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC001331187038 951005400 /nfs/dbraw/zinc/00/54/00/951005400.db2.gz VZTWRILDMOKCSG-ZNMIVQPWSA-N 1 3 322.453 0.317 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001331602686 951189702 /nfs/dbraw/zinc/18/97/02/951189702.db2.gz ZUAYWDJZULYHNG-GRDNDAEWSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC001331601897 951189768 /nfs/dbraw/zinc/18/97/68/951189768.db2.gz ROVSONFZNBHFMW-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CO)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001274069144 951389255 /nfs/dbraw/zinc/38/92/55/951389255.db2.gz VNPZPFXYCLRMHX-HNNXBMFYSA-N 1 3 311.470 0.881 20 0 DCADHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001274124825 951431000 /nfs/dbraw/zinc/43/10/00/951431000.db2.gz JTTGBHFODWLCQB-RWCKICOTSA-N 1 3 324.469 0.505 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001365825996 951588009 /nfs/dbraw/zinc/58/80/09/951588009.db2.gz KBFCFCMSPKOBCB-GUTXKFCHSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H](O)C[NH2+]CCF)c1 ZINC001332608687 951721459 /nfs/dbraw/zinc/72/14/59/951721459.db2.gz YNMFJYFVJUXJFB-OAHLLOKOSA-N 1 3 311.401 0.740 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001332946032 951860619 /nfs/dbraw/zinc/86/06/19/951860619.db2.gz RSWVUMXSCXHGEN-RDBSUJKOSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C=CCC1 ZINC001332986942 951873672 /nfs/dbraw/zinc/87/36/72/951873672.db2.gz HPPBKTFZXVGKQL-AWEZNQCLSA-N 1 3 310.442 0.021 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(CCCc3cccnc3)C[C@H]21 ZINC001274970665 951911683 /nfs/dbraw/zinc/91/16/83/951911683.db2.gz XHVWKCTYBQFJOA-MSOLQXFVSA-N 1 3 318.465 0.961 20 0 DCADHO CCCN1CC[N@H+](CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001275108639 951961572 /nfs/dbraw/zinc/96/15/72/951961572.db2.gz UQIDFXCDBATQOH-QGZVFWFLSA-N 1 3 319.453 0.950 20 0 DCADHO CCCN1CC[N@@H+](CCn2ccnc2)C[C@@]2(CCCC(=O)N2)C1 ZINC001275108639 951961576 /nfs/dbraw/zinc/96/15/76/951961576.db2.gz UQIDFXCDBATQOH-QGZVFWFLSA-N 1 3 319.453 0.950 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)C(=O)CN1CCCC1 ZINC001411669882 952373088 /nfs/dbraw/zinc/37/30/88/952373088.db2.gz IGCJYEPRNNVNSO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)NC(N)=O)C[C@@H](C)O1 ZINC001335395254 952531565 /nfs/dbraw/zinc/53/15/65/952531565.db2.gz RYJPAGMEXIUSRL-VXGBXAGGSA-N 1 3 300.403 0.050 20 0 DCADHO [NH3+]CCN1CCC[C@H](C(=O)Nc2cccc3c2CNC3)C1=O ZINC001340882917 953200849 /nfs/dbraw/zinc/20/08/49/953200849.db2.gz XGFFXIHDVYJEJF-GFCCVEGCSA-N 1 3 302.378 0.426 20 0 DCADHO C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001342265423 953280192 /nfs/dbraw/zinc/28/01/92/953280192.db2.gz AEEHQNWWCNIEJM-NEPJUHHUSA-N 1 3 314.817 0.472 20 0 DCADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001365887795 953364288 /nfs/dbraw/zinc/36/42/88/953364288.db2.gz JIKODNLMZZHHKB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CNCC[NH3+] ZINC001344344435 953471692 /nfs/dbraw/zinc/47/16/92/953471692.db2.gz NZSXNPGQWOARGU-GDBMZVCRSA-N 1 3 302.422 0.678 20 0 DCADHO CCNC(=O)CN[C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001366046440 953618769 /nfs/dbraw/zinc/61/87/69/953618769.db2.gz XWTJZFMRIVGJNH-CQSZACIVSA-N 1 3 322.453 0.235 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001366103858 953688734 /nfs/dbraw/zinc/68/87/34/953688734.db2.gz KWMPAYIKGWCIHZ-KKUMJFAQSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366104674 953689993 /nfs/dbraw/zinc/68/99/93/953689993.db2.gz UNYWNOWNQBBLIN-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001366136049 953726625 /nfs/dbraw/zinc/72/66/25/953726625.db2.gz PXTHQECKVYQQRE-KKUMJFAQSA-N 1 3 307.442 0.540 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001366136053 953727584 /nfs/dbraw/zinc/72/75/84/953727584.db2.gz PXTHQECKVYQQRE-RBSFLKMASA-N 1 3 307.442 0.540 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001366154161 953751335 /nfs/dbraw/zinc/75/13/35/953751335.db2.gz BMNWLPDMJMHZDG-LZWOXQAQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cncn1C ZINC001366298607 953981341 /nfs/dbraw/zinc/98/13/41/953981341.db2.gz YJSPUZUMOAKTOQ-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cncn1C ZINC001366298607 953981350 /nfs/dbraw/zinc/98/13/50/953981350.db2.gz YJSPUZUMOAKTOQ-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001366350068 954076756 /nfs/dbraw/zinc/07/67/56/954076756.db2.gz YPSUITOSLUEPJS-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CCn1cc(CC[NH2+][C@H](C)CNC(=O)Cc2nc[nH]c2C)cn1 ZINC001366364424 954103103 /nfs/dbraw/zinc/10/31/03/954103103.db2.gz UVEZBXGIZQJDTA-GFCCVEGCSA-N 1 3 318.425 0.814 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366385031 954130940 /nfs/dbraw/zinc/13/09/40/954130940.db2.gz HADOREHERHSVNE-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366394000 954146300 /nfs/dbraw/zinc/14/63/00/954146300.db2.gz NJBHIBWDPWKZOU-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001366415619 954170211 /nfs/dbraw/zinc/17/02/11/954170211.db2.gz ZRJGJQHBTXOMFR-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001366432611 954190892 /nfs/dbraw/zinc/19/08/92/954190892.db2.gz OGKSFAGPFDQFPN-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nnsc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001366456537 954220391 /nfs/dbraw/zinc/22/03/91/954220391.db2.gz WYVVEZAWIGQCNN-CMPLNLGQSA-N 1 3 311.455 0.925 20 0 DCADHO Cc1nccnc1CN[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001366508804 954298619 /nfs/dbraw/zinc/29/86/19/954298619.db2.gz MUHPIMQMLAHDHU-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CN[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366508804 954298635 /nfs/dbraw/zinc/29/86/35/954298635.db2.gz MUHPIMQMLAHDHU-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)C[C@@H]1CCNC(=O)CC1)C1CCC1 ZINC001366537690 954376729 /nfs/dbraw/zinc/37/67/29/954376729.db2.gz RKSUPFZWNWGKDL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)C1CCC1 ZINC001366537690 954376745 /nfs/dbraw/zinc/37/67/45/954376745.db2.gz RKSUPFZWNWGKDL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H](CC)N(C)C ZINC001349172833 954628905 /nfs/dbraw/zinc/62/89/05/954628905.db2.gz VYQNQSKZUXGQPG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H](CC)N(C)C ZINC001349172833 954628910 /nfs/dbraw/zinc/62/89/10/954628910.db2.gz VYQNQSKZUXGQPG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366687327 954650130 /nfs/dbraw/zinc/65/01/30/954650130.db2.gz GEWUERLHBIJNIJ-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)CN1C(=O)CN1CCCC1 ZINC001284034163 954794200 /nfs/dbraw/zinc/79/42/00/954794200.db2.gz PQNNYBQOPRJJOR-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001366780183 954839099 /nfs/dbraw/zinc/83/90/99/954839099.db2.gz IMIMZRVSNGZQQY-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO CCN(C)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001366814950 954879053 /nfs/dbraw/zinc/87/90/53/954879053.db2.gz ATTIZPLQTHOBPS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001366814950 954879066 /nfs/dbraw/zinc/87/90/66/954879066.db2.gz ATTIZPLQTHOBPS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCNC(=O)[C@@H]2CCCN2C)C1 ZINC001349821399 954896935 /nfs/dbraw/zinc/89/69/35/954896935.db2.gz POAGZFSCPPAMTR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCNC(=O)[C@@H]2CCCN2C)C1 ZINC001349821399 954896948 /nfs/dbraw/zinc/89/69/48/954896948.db2.gz POAGZFSCPPAMTR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CCCO)C2)CC1 ZINC001366883131 954992235 /nfs/dbraw/zinc/99/22/35/954992235.db2.gz NUSKZHNTVXZNAO-MRXNPFEDSA-N 1 3 311.470 0.881 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CCCO)C2)CC1 ZINC001366883131 954992243 /nfs/dbraw/zinc/99/22/43/954992243.db2.gz NUSKZHNTVXZNAO-MRXNPFEDSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)C1(N(C)C)CCC1 ZINC001350174884 955010056 /nfs/dbraw/zinc/01/00/56/955010056.db2.gz TZFMCYWDCSWMJM-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)C1(N(C)C)CCC1 ZINC001350174884 955010063 /nfs/dbraw/zinc/01/00/63/955010063.db2.gz TZFMCYWDCSWMJM-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]C/C=C/Cl)C1 ZINC001284448690 955103488 /nfs/dbraw/zinc/10/34/88/955103488.db2.gz QWKMAHFKPOULIZ-UXOHQCDBSA-N 1 3 303.834 0.490 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCN2CCCC2=O)C1 ZINC001367018453 955208175 /nfs/dbraw/zinc/20/81/75/955208175.db2.gz LGEPKZWCAXIJCO-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCN2CCCC2=O)C1 ZINC001367018453 955208186 /nfs/dbraw/zinc/20/81/86/955208186.db2.gz LGEPKZWCAXIJCO-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NCc1nccn1C ZINC001367109332 955325426 /nfs/dbraw/zinc/32/54/26/955325426.db2.gz XLROEWQFZNZOLA-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NCc1nccn1C ZINC001367109332 955325440 /nfs/dbraw/zinc/32/54/40/955325440.db2.gz XLROEWQFZNZOLA-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cnn(C)c1 ZINC001367127373 955363845 /nfs/dbraw/zinc/36/38/45/955363845.db2.gz LLDWZQXPUHUUOV-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC(=O)NC ZINC001367131924 955373089 /nfs/dbraw/zinc/37/30/89/955373089.db2.gz VLITXHIUKYRLRK-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001367207647 955462789 /nfs/dbraw/zinc/46/27/89/955462789.db2.gz LSHIECCAXKOHLG-VNHYZAJKSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001367207647 955462795 /nfs/dbraw/zinc/46/27/95/955462795.db2.gz LSHIECCAXKOHLG-VNHYZAJKSA-N 1 3 324.469 0.419 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001367227151 955486627 /nfs/dbraw/zinc/48/66/27/955486627.db2.gz YBNIWBVHINZZOC-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001367227151 955486638 /nfs/dbraw/zinc/48/66/38/955486638.db2.gz YBNIWBVHINZZOC-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO CCN1CCN(CCCNC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001353583864 956113193 /nfs/dbraw/zinc/11/31/93/956113193.db2.gz USVQPIUKELTZCM-UHFFFAOYSA-N 1 3 318.465 0.945 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCN(C)C(=O)[C@@H]1CCCN1C ZINC001294316166 957513912 /nfs/dbraw/zinc/51/39/12/957513912.db2.gz ZZYNHLAKKNKSKJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCN(C)C(=O)[C@@H]1CCCN1C ZINC001294316166 957513915 /nfs/dbraw/zinc/51/39/15/957513915.db2.gz ZZYNHLAKKNKSKJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001367401088 957770581 /nfs/dbraw/zinc/77/05/81/957770581.db2.gz WRRYSXILTWJACD-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H](C)C1 ZINC001367438343 957809424 /nfs/dbraw/zinc/80/94/24/957809424.db2.gz IQXNRVCEMQKUGW-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCN(C)C1=O)C(C)C ZINC001367495431 957896236 /nfs/dbraw/zinc/89/62/36/957896236.db2.gz SZQAJMZSNCCRJS-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001367623490 958207010 /nfs/dbraw/zinc/20/70/10/958207010.db2.gz OVPYGBLCTJWPST-HZPDHXFCSA-N 1 3 307.438 0.902 20 0 DCADHO CCC(=O)N[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001367674295 958330518 /nfs/dbraw/zinc/33/05/18/958330518.db2.gz IHRLVGHRRVJYCM-MWLCHTKSSA-N 1 3 312.439 0.961 20 0 DCADHO Cc1cc(C(=O)N[C@H](C)C[NH2+]Cc2cnn(C)c2)c(C)nn1 ZINC001367673880 958331047 /nfs/dbraw/zinc/33/10/47/958331047.db2.gz GMDMOILLJUFOBN-LLVKDONJSA-N 1 3 302.382 0.735 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)c1cnc2[nH]ccc2c1 ZINC001367674450 958331270 /nfs/dbraw/zinc/33/12/70/958331270.db2.gz CICXZLDWCYYPKK-ZWNOBZJWSA-N 1 3 306.366 0.230 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccc(OC)c(F)c1 ZINC001367674555 958332555 /nfs/dbraw/zinc/33/25/55/958332555.db2.gz HORBTDWBEYBLPX-SNVBAGLBSA-N 1 3 311.357 0.678 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367685531 958363423 /nfs/dbraw/zinc/36/34/23/958363423.db2.gz GRYKHEOGQXMIDI-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367685531 958363439 /nfs/dbraw/zinc/36/34/39/958363439.db2.gz GRYKHEOGQXMIDI-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001367694178 958387744 /nfs/dbraw/zinc/38/77/44/958387744.db2.gz BFMWXYPFHSLFET-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001367705471 958411819 /nfs/dbraw/zinc/41/18/19/958411819.db2.gz STVJNSMKIKVGDE-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367707972 958413842 /nfs/dbraw/zinc/41/38/42/958413842.db2.gz VJYDYSXYMAPUFG-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CCC[C@@H](C)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367770986 958542537 /nfs/dbraw/zinc/54/25/37/958542537.db2.gz JJKLAVZPQHWSDB-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001376790134 958842390 /nfs/dbraw/zinc/84/23/90/958842390.db2.gz UQXWUZHYIPYXLA-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001376790134 958842400 /nfs/dbraw/zinc/84/24/00/958842400.db2.gz UQXWUZHYIPYXLA-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@H](C)C(N)=O ZINC001491683311 959047654 /nfs/dbraw/zinc/04/76/54/959047654.db2.gz SFLLFQRQOSLHKS-VXGBXAGGSA-N 1 3 306.410 0.330 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)[NH+]1CCCC1 ZINC001376885755 959061369 /nfs/dbraw/zinc/06/13/69/959061369.db2.gz WNWJLWNMPBTMPQ-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001376905754 959108454 /nfs/dbraw/zinc/10/84/54/959108454.db2.gz VAHKFPMOBUTBPI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001376949109 959189242 /nfs/dbraw/zinc/18/92/42/959189242.db2.gz HYAFWYOMBYBXPP-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491754480 959257304 /nfs/dbraw/zinc/25/73/04/959257304.db2.gz LQSXBQYLRKXPSA-CQSZACIVSA-N 1 3 322.453 0.047 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001377064942 959415134 /nfs/dbraw/zinc/41/51/34/959415134.db2.gz GGGJMKIMBGRKOJ-CABCVRRESA-N 1 3 321.469 0.789 20 0 DCADHO CCC1([NH2+]C[C@@H](O)COC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377119172 959499495 /nfs/dbraw/zinc/49/94/95/959499495.db2.gz BRDVULYEYDDYAY-CQSZACIVSA-N 1 3 324.425 0.320 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cncn1C ZINC001492034780 959572379 /nfs/dbraw/zinc/57/23/79/959572379.db2.gz NTNSWHZGKMGWPN-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CN(CC(=O)N1CCCC12CC[NH+](C)CC2)[C@@H]1CCC[C@H]1O ZINC001362610568 959695087 /nfs/dbraw/zinc/69/50/87/959695087.db2.gz DCTUPRAOCSFRHM-HUUCEWRRSA-N 1 3 309.454 0.918 20 0 DCADHO CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001368427167 959846672 /nfs/dbraw/zinc/84/66/72/959846672.db2.gz WRABZNLKMXNYAO-WCQYABFASA-N 1 3 307.398 0.044 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001377298108 959881473 /nfs/dbraw/zinc/88/14/73/959881473.db2.gz HYGUBRXDQSWUEN-UKRRQHHQSA-N 1 3 314.474 0.534 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001368450207 959882376 /nfs/dbraw/zinc/88/23/76/959882376.db2.gz KPGPCGWLKDGHEX-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001368450207 959882388 /nfs/dbraw/zinc/88/23/88/959882388.db2.gz KPGPCGWLKDGHEX-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001368455581 959889432 /nfs/dbraw/zinc/88/94/32/959889432.db2.gz ODHAXAQMJAYPSE-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCc1ccnn1C ZINC001377313866 959910577 /nfs/dbraw/zinc/91/05/77/959910577.db2.gz QUXORTOQTPEEKL-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCc1ccnn1C ZINC001377313866 959910580 /nfs/dbraw/zinc/91/05/80/959910580.db2.gz QUXORTOQTPEEKL-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001368484846 959930464 /nfs/dbraw/zinc/93/04/64/959930464.db2.gz HSLOMSOIFYOVMR-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001368484846 959930474 /nfs/dbraw/zinc/93/04/74/959930474.db2.gz HSLOMSOIFYOVMR-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCn1nc(C)cc1C ZINC001377363477 959980243 /nfs/dbraw/zinc/98/02/43/959980243.db2.gz CMYXNXDGFFQTLJ-MRXNPFEDSA-N 1 3 321.469 0.890 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCn1nc(C)cc1C ZINC001377363477 959980247 /nfs/dbraw/zinc/98/02/47/959980247.db2.gz CMYXNXDGFFQTLJ-MRXNPFEDSA-N 1 3 321.469 0.890 20 0 DCADHO CN1CCC(O)(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC001336781147 960009825 /nfs/dbraw/zinc/00/98/25/960009825.db2.gz UDXWFVAJAHPXRQ-VIFPVBQESA-N 1 3 320.302 0.981 20 0 DCADHO COC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001377408024 960043023 /nfs/dbraw/zinc/04/30/23/960043023.db2.gz FJTLZDZBQPQMPC-RRFJBIMHSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001377408024 960043027 /nfs/dbraw/zinc/04/30/27/960043027.db2.gz FJTLZDZBQPQMPC-RRFJBIMHSA-N 1 3 315.458 0.161 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)ncn1 ZINC001368577759 960052511 /nfs/dbraw/zinc/05/25/11/960052511.db2.gz BILKTUMFJBEIRX-HDJSIYSDSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCn2cncn2)CC1)N(C)C ZINC001368666508 960139808 /nfs/dbraw/zinc/13/98/08/960139808.db2.gz YVAGBBKUNSMICB-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001368668967 960140225 /nfs/dbraw/zinc/14/02/25/960140225.db2.gz RDHPQQJNKXETHN-RDBSUJKOSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001377573554 960302845 /nfs/dbraw/zinc/30/28/45/960302845.db2.gz KGXHWLPHOVMYSA-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@H+](CCn1cccn1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001377664652 960405195 /nfs/dbraw/zinc/40/51/95/960405195.db2.gz CWPVOSJPUJNLNO-MRXNPFEDSA-N 1 3 319.453 0.902 20 0 DCADHO C[N@@H+](CCn1cccn1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001377664652 960405199 /nfs/dbraw/zinc/40/51/99/960405199.db2.gz CWPVOSJPUJNLNO-MRXNPFEDSA-N 1 3 319.453 0.902 20 0 DCADHO Cc1nc([C@@H](C)N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001377707204 960473418 /nfs/dbraw/zinc/47/34/18/960473418.db2.gz LPPAWYJCUGIMPL-OCCSQVGLSA-N 1 3 322.457 0.954 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC001363156469 960500324 /nfs/dbraw/zinc/50/03/24/960500324.db2.gz JPCPXBTZDRIBJY-JJXSEGSLSA-N 1 3 309.454 0.774 20 0 DCADHO CN(CCN1CCN(CC2CC2)CC1)C(=O)CCC[NH+](C)C ZINC001377727518 960514859 /nfs/dbraw/zinc/51/48/59/960514859.db2.gz CHFGPDRBXNYYRL-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCn2cccn2)C1 ZINC001377761415 960593391 /nfs/dbraw/zinc/59/33/91/960593391.db2.gz YXEUSEUMDMKPRD-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCn2cccn2)C1 ZINC001377761415 960593409 /nfs/dbraw/zinc/59/34/09/960593409.db2.gz YXEUSEUMDMKPRD-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001378435878 960748742 /nfs/dbraw/zinc/74/87/42/960748742.db2.gz CJQPDBJAMRQORP-TUVASFSCSA-N 1 3 324.469 0.478 20 0 DCADHO CN(CC(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1)C1CCC1 ZINC001377973203 961100615 /nfs/dbraw/zinc/10/06/15/961100615.db2.gz BIYIGRPXUAJBPC-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CCn1ccc(CNC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001378618817 961139058 /nfs/dbraw/zinc/13/90/58/961139058.db2.gz XPISCIMQZNXRPO-AWEZNQCLSA-N 1 3 319.453 0.841 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001378859635 961617984 /nfs/dbraw/zinc/61/79/84/961617984.db2.gz RWJQENFOARDBLP-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CN1CCOCC1)C[N@@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC001363785084 961873752 /nfs/dbraw/zinc/87/37/52/961873752.db2.gz MAWMKSWNANGFDV-HZPDHXFCSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@H](CN1CCOCC1)C[N@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC001363785084 961873774 /nfs/dbraw/zinc/87/37/74/961873774.db2.gz MAWMKSWNANGFDV-HZPDHXFCSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@H](CN1CCOCC1)C[N@@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC001363785068 961878500 /nfs/dbraw/zinc/87/85/00/961878500.db2.gz MAWMKSWNANGFDV-CVEARBPZSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@H](CN1CCOCC1)C[N@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC001363785068 961878530 /nfs/dbraw/zinc/87/85/30/961878530.db2.gz MAWMKSWNANGFDV-CVEARBPZSA-N 1 3 313.486 0.732 20 0 DCADHO CC[NH+]1CCC(N2CCCN(C[C@](C)(O)C(C)=O)CC2)CC1 ZINC001363808887 961935085 /nfs/dbraw/zinc/93/50/85/961935085.db2.gz KACVYNOXSXUWIT-KRWDZBQOSA-N 1 3 311.470 0.818 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001430274315 1013310149 /nfs/dbraw/zinc/31/01/49/1013310149.db2.gz XGLIXCSEYPOORC-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001447248245 1013328294 /nfs/dbraw/zinc/32/82/94/1013328294.db2.gz AAXVIYXLIRJODH-UHFFFAOYSA-N 1 3 324.469 0.627 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C1CC1 ZINC001379230138 962412976 /nfs/dbraw/zinc/41/29/76/962412976.db2.gz VMNDVJDZQLNKOC-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001379308579 962593062 /nfs/dbraw/zinc/59/30/62/962593062.db2.gz UTAGUAYSHYFMBG-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001379308579 962593081 /nfs/dbraw/zinc/59/30/81/962593081.db2.gz UTAGUAYSHYFMBG-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001379412070 962869434 /nfs/dbraw/zinc/86/94/34/962869434.db2.gz PVEUHBOWMICGDN-KBPBESRZSA-N 1 3 313.442 0.107 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001379448790 962946617 /nfs/dbraw/zinc/94/66/17/962946617.db2.gz LCIQCSGIQQTHJQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001379451970 962957593 /nfs/dbraw/zinc/95/75/93/962957593.db2.gz VRANDPQYRWELNX-CYBMUJFWSA-N 1 3 308.426 0.321 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001379465472 962983160 /nfs/dbraw/zinc/98/31/60/962983160.db2.gz JFIYQUKMFFIYOM-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001380291587 962999811 /nfs/dbraw/zinc/99/98/11/962999811.db2.gz MZJVPVDYPGOCRK-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CCCC1 ZINC001380330724 963043391 /nfs/dbraw/zinc/04/33/91/963043391.db2.gz XNOQRADNKXUBHI-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1cccc(C)c1CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379529631 963135728 /nfs/dbraw/zinc/13/57/28/963135728.db2.gz QPSOGEUFOVXMRU-HOTGVXAUSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cccc(C)c1CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379529631 963135735 /nfs/dbraw/zinc/13/57/35/963135735.db2.gz QPSOGEUFOVXMRU-HOTGVXAUSA-N 1 3 319.449 0.822 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C2CCC2)C1=O)NC(=O)CCC[NH+](C)C ZINC001379535531 963146808 /nfs/dbraw/zinc/14/68/08/963146808.db2.gz KQRJEMUVXBXXJY-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001379609757 963260754 /nfs/dbraw/zinc/26/07/54/963260754.db2.gz XWBROCYSLCKLDA-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]CCF)CCOCC2)C1 ZINC001380503654 963268529 /nfs/dbraw/zinc/26/85/29/963268529.db2.gz KIWYXICANUFKHA-CYBMUJFWSA-N 1 3 301.406 0.553 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001381108281 963820786 /nfs/dbraw/zinc/82/07/86/963820786.db2.gz NCGZMSHHFIXENJ-UKRRQHHQSA-N 1 3 307.442 0.697 20 0 DCADHO COC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001381168163 963864027 /nfs/dbraw/zinc/86/40/27/963864027.db2.gz MESKLPCADOTOGH-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001375274594 964196499 /nfs/dbraw/zinc/19/64/99/964196499.db2.gz TXDOUOIIYFTMRC-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001375274594 964196507 /nfs/dbraw/zinc/19/65/07/964196507.db2.gz TXDOUOIIYFTMRC-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001375277016 964198323 /nfs/dbraw/zinc/19/83/23/964198323.db2.gz JUHLEKQYIAQUAG-KBPBESRZSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccnn1C)N(C)C ZINC001368975926 964223488 /nfs/dbraw/zinc/22/34/88/964223488.db2.gz HICVIQNGPZLWGG-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001368975926 964223490 /nfs/dbraw/zinc/22/34/90/964223490.db2.gz HICVIQNGPZLWGG-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CO[C@H](C)CN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001373647391 964420433 /nfs/dbraw/zinc/42/04/33/964420433.db2.gz NNDCTZJUEDIATQ-ZIAGYGMSSA-N 1 3 313.442 0.323 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001369187236 964501870 /nfs/dbraw/zinc/50/18/70/964501870.db2.gz RHAOOTHPXHKZKK-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001369187236 964501878 /nfs/dbraw/zinc/50/18/78/964501878.db2.gz RHAOOTHPXHKZKK-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001369230765 964559706 /nfs/dbraw/zinc/55/97/06/964559706.db2.gz CIRVEHOMUAPVST-IUODEOHRSA-N 1 3 307.442 0.759 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001373794435 964641210 /nfs/dbraw/zinc/64/12/10/964641210.db2.gz XWHPIJDUCUGLMG-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001369292264 964667796 /nfs/dbraw/zinc/66/77/96/964667796.db2.gz LBESFZSAYAXBDB-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001369300945 964682048 /nfs/dbraw/zinc/68/20/48/964682048.db2.gz ZOXVDZLPTQKHLJ-HIFRSBDPSA-N 1 3 314.474 0.534 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001373833862 964692035 /nfs/dbraw/zinc/69/20/35/964692035.db2.gz URAZQIVYRACOHZ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001373833862 964692045 /nfs/dbraw/zinc/69/20/45/964692045.db2.gz URAZQIVYRACOHZ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001375731625 964769687 /nfs/dbraw/zinc/76/96/87/964769687.db2.gz GOYFTIIUAKBMQN-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001369379832 964856894 /nfs/dbraw/zinc/85/68/94/964856894.db2.gz DYAJIDKDZVOGBS-CABCVRRESA-N 1 3 321.421 0.214 20 0 DCADHO COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001369379832 964856902 /nfs/dbraw/zinc/85/69/02/964856902.db2.gz DYAJIDKDZVOGBS-CABCVRRESA-N 1 3 321.421 0.214 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)cn1 ZINC001369390449 964878355 /nfs/dbraw/zinc/87/83/55/964878355.db2.gz LBVVIQWOHYGRKL-DOMZBBRYSA-N 1 3 305.426 0.816 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC001369394206 964885639 /nfs/dbraw/zinc/88/56/39/964885639.db2.gz DZRCHCRUMHYMDF-OFQRWUPVSA-N 1 3 315.433 0.772 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001369394206 964885644 /nfs/dbraw/zinc/88/56/44/964885644.db2.gz DZRCHCRUMHYMDF-OFQRWUPVSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)CNCc1ccn(C)n1)[NH+](C)C ZINC001374096322 965009514 /nfs/dbraw/zinc/00/95/14/965009514.db2.gz GETQOEHZZZGTDJ-DZGCQCFKSA-N 1 3 309.458 0.848 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001374178809 965096776 /nfs/dbraw/zinc/09/67/76/965096776.db2.gz CUOKBANPXMJXJS-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+][C@H](C)C(=O)NC)CCCC1 ZINC001374178305 965098062 /nfs/dbraw/zinc/09/80/62/965098062.db2.gz VNBXSVAKWYXSNB-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)CC[C@@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369512290 965119221 /nfs/dbraw/zinc/11/92/21/965119221.db2.gz ALLFGUXBQZQFSE-HIFRSBDPSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)CC[C@@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369512290 965119229 /nfs/dbraw/zinc/11/92/29/965119229.db2.gz ALLFGUXBQZQFSE-HIFRSBDPSA-N 1 3 324.425 0.130 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001376156646 965303293 /nfs/dbraw/zinc/30/32/93/965303293.db2.gz DHWUJGWCYURXTG-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001376156646 965303301 /nfs/dbraw/zinc/30/33/01/965303301.db2.gz DHWUJGWCYURXTG-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO C[C@H](C(N)=O)N(C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001374403277 965344065 /nfs/dbraw/zinc/34/40/65/965344065.db2.gz HVPRXMPHSMTWKE-CYBMUJFWSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001374543526 965508903 /nfs/dbraw/zinc/50/89/03/965508903.db2.gz WJOQVGNCIOCSPG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@H+](C)CCc1cnn(C)c1)C(=O)CN1CCCC1 ZINC001374555640 965526251 /nfs/dbraw/zinc/52/62/51/965526251.db2.gz LXKHHNHMCWEKHP-UHFFFAOYSA-N 1 3 307.442 0.449 20 0 DCADHO CN(CC[N@@H+](C)CCc1cnn(C)c1)C(=O)CN1CCCC1 ZINC001374555640 965526265 /nfs/dbraw/zinc/52/62/65/965526265.db2.gz LXKHHNHMCWEKHP-UHFFFAOYSA-N 1 3 307.442 0.449 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC001376395027 965610018 /nfs/dbraw/zinc/61/00/18/965610018.db2.gz DSNJGEGTJOQQPT-RBSFLKMASA-N 1 3 322.457 0.472 20 0 DCADHO O=C(NC[C@H](O)CNCc1ccccn1)C12CCC[NH+]1CCC2 ZINC001374625326 965660433 /nfs/dbraw/zinc/66/04/33/965660433.db2.gz QSFLJJMTIZGTRI-OAHLLOKOSA-N 1 3 318.421 0.277 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001370092906 965764085 /nfs/dbraw/zinc/76/40/85/965764085.db2.gz LQSYPDBOSBUNIN-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001374713060 965801994 /nfs/dbraw/zinc/80/19/94/965801994.db2.gz NBSVVCKXXWVYKL-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)COC)N(C)C ZINC001376604918 965881922 /nfs/dbraw/zinc/88/19/22/965881922.db2.gz RVWLOSHUBPMGPU-SOUVJXGZSA-N 1 3 315.458 0.305 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001370259357 965929454 /nfs/dbraw/zinc/92/94/54/965929454.db2.gz UICDNXVBHZWNFF-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001370259357 965929469 /nfs/dbraw/zinc/92/94/69/965929469.db2.gz UICDNXVBHZWNFF-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001374805974 965953696 /nfs/dbraw/zinc/95/36/96/965953696.db2.gz MEHZQIMTYZHPPS-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001376689272 965993367 /nfs/dbraw/zinc/99/33/67/965993367.db2.gz YTZGVDFJBZKKEF-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)N2CCCC2)CCC1)N(C)C ZINC001376749376 966115739 /nfs/dbraw/zinc/11/57/39/966115739.db2.gz IKNDEVXIUALWOB-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001370483816 966175021 /nfs/dbraw/zinc/17/50/21/966175021.db2.gz MBDAKKNBSGFYNH-OBJOEFQTSA-N 1 3 308.430 0.138 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001374981057 966193435 /nfs/dbraw/zinc/19/34/35/966193435.db2.gz GJFGTTXVKXAGIM-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001447913087 1013644638 /nfs/dbraw/zinc/64/46/38/1013644638.db2.gz XVLPGQGTMYHGLN-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)[C@H](CC)N(C)C ZINC001430650158 1013647664 /nfs/dbraw/zinc/64/76/64/1013647664.db2.gz FHWAKABHTRCIFQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001370713033 966406918 /nfs/dbraw/zinc/40/69/18/966406918.db2.gz MWZBMVLQKPRBJA-XJFOESAGSA-N 1 3 310.442 0.040 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001370716295 966409553 /nfs/dbraw/zinc/40/95/53/966409553.db2.gz ALAKRBVVKXMBQR-APIJFGDWSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001381446901 966426028 /nfs/dbraw/zinc/42/60/28/966426028.db2.gz GYFMRONWJMCJOG-UONOGXRCSA-N 1 3 322.453 0.708 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001381539672 966518118 /nfs/dbraw/zinc/51/81/18/966518118.db2.gz KCKUICHHMKWANL-HDJSIYSDSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001447935497 1013657667 /nfs/dbraw/zinc/65/76/67/1013657667.db2.gz RKUKMVGTLMYHEL-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001370926632 966594025 /nfs/dbraw/zinc/59/40/25/966594025.db2.gz YXUOPLRJOAXJNW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCCCC1 ZINC001371193603 966801119 /nfs/dbraw/zinc/80/11/19/966801119.db2.gz YOXGWJGKRQGGLA-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCCCC1 ZINC001371193603 966801123 /nfs/dbraw/zinc/80/11/23/966801123.db2.gz YOXGWJGKRQGGLA-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001381990393 966849071 /nfs/dbraw/zinc/84/90/71/966849071.db2.gz WZSDXSWDMZLLIG-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001381990393 966849080 /nfs/dbraw/zinc/84/90/80/966849080.db2.gz WZSDXSWDMZLLIG-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001371387542 966954070 /nfs/dbraw/zinc/95/40/70/966954070.db2.gz QKBIGCJJMZKMPA-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001382163621 966994504 /nfs/dbraw/zinc/99/45/04/966994504.db2.gz HWTFKDIVJDZZME-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1)[NH+](C)C ZINC001382163931 966995366 /nfs/dbraw/zinc/99/53/66/966995366.db2.gz XLFLJKVRGBVRFF-WFASDCNBSA-N 1 3 312.458 0.288 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001371473592 967023985 /nfs/dbraw/zinc/02/39/85/967023985.db2.gz KKYWCHASBKJNBC-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001371507165 967053807 /nfs/dbraw/zinc/05/38/07/967053807.db2.gz HJCLFSDWFXASCU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001371507165 967053815 /nfs/dbraw/zinc/05/38/15/967053815.db2.gz HJCLFSDWFXASCU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001371510230 967060078 /nfs/dbraw/zinc/06/00/78/967060078.db2.gz LGNOQEXCQIQLKN-ZDUSSCGKSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001382300276 967182906 /nfs/dbraw/zinc/18/29/06/967182906.db2.gz CJZFOXQUBGNPGM-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1C[C@H](NCc2ccnn2C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001382319375 967213594 /nfs/dbraw/zinc/21/35/94/967213594.db2.gz SHYWUORTXHEVIC-KGLIPLIRSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001371660402 967214010 /nfs/dbraw/zinc/21/40/10/967214010.db2.gz QGOKJJCRTFKFLZ-KGLIPLIRSA-N 1 3 322.457 0.672 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC1CC1 ZINC001382370037 967281467 /nfs/dbraw/zinc/28/14/67/967281467.db2.gz QWWKHHRJONCJFD-JSGCOSHPSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]C[C@H](O)COC)C(C)(C)C1)N(C)C ZINC001382372989 967283324 /nfs/dbraw/zinc/28/33/24/967283324.db2.gz ZXINFRGXLOPHPP-IHRRRGAJSA-N 1 3 315.458 0.161 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382440679 967377446 /nfs/dbraw/zinc/37/74/46/967377446.db2.gz JBJMSSNWLSVYQZ-CABCVRRESA-N 1 3 323.412 0.686 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382440679 967377458 /nfs/dbraw/zinc/37/74/58/967377458.db2.gz JBJMSSNWLSVYQZ-CABCVRRESA-N 1 3 323.412 0.686 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001372019820 967569215 /nfs/dbraw/zinc/56/92/15/967569215.db2.gz IEMFFHVUNAGDMZ-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382798183 967673293 /nfs/dbraw/zinc/67/32/93/967673293.db2.gz YYNMWIQHFYGJHD-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448087463 1013745267 /nfs/dbraw/zinc/74/52/67/1013745267.db2.gz JPMYIIDIKHWIMT-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448087463 1013745276 /nfs/dbraw/zinc/74/52/76/1013745276.db2.gz JPMYIIDIKHWIMT-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372255206 967798731 /nfs/dbraw/zinc/79/87/31/967798731.db2.gz OOAMKAMNLNPTPQ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001372509502 968061333 /nfs/dbraw/zinc/06/13/33/968061333.db2.gz XCSYLQPSZSRHPZ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001372509502 968061344 /nfs/dbraw/zinc/06/13/44/968061344.db2.gz XCSYLQPSZSRHPZ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001372530667 968088947 /nfs/dbraw/zinc/08/89/47/968088947.db2.gz NGCRBSQGLIEFDC-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001372530667 968088959 /nfs/dbraw/zinc/08/89/59/968088959.db2.gz NGCRBSQGLIEFDC-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)CCN[C@H]1CCCNC1=O)[NH+](CC)CC ZINC001372944972 968553909 /nfs/dbraw/zinc/55/39/09/968553909.db2.gz IYHWDCYTXCXRDB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@@H](N2CC[C@@H](CCNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001373221755 968824215 /nfs/dbraw/zinc/82/42/15/968824215.db2.gz FHADANKKPINFOP-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)NC(=O)CN1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001373221734 968824920 /nfs/dbraw/zinc/82/49/20/968824920.db2.gz FAJUCQULOKEFPO-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001373441981 969098865 /nfs/dbraw/zinc/09/88/65/969098865.db2.gz HDTNZOHZMYHISJ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001373441981 969098871 /nfs/dbraw/zinc/09/88/71/969098871.db2.gz HDTNZOHZMYHISJ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001373536784 969204077 /nfs/dbraw/zinc/20/40/77/969204077.db2.gz HRBZODLOWIGCOH-CABCVRRESA-N 1 3 309.454 0.803 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001431048961 1013884355 /nfs/dbraw/zinc/88/43/55/1013884355.db2.gz TUMKEJJIWAAGFJ-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001448528431 1013943204 /nfs/dbraw/zinc/94/32/04/1013943204.db2.gz ISZIKEWUTKGGRI-IHRRRGAJSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001448549937 1013948537 /nfs/dbraw/zinc/94/85/37/1013948537.db2.gz HITADIPPVNEKSO-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC001448549937 1013948542 /nfs/dbraw/zinc/94/85/42/1013948542.db2.gz HITADIPPVNEKSO-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001448649510 1013982169 /nfs/dbraw/zinc/98/21/69/1013982169.db2.gz IQOOSVVUUMLUHQ-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(C)C)C[C@H]1C ZINC001449022652 1014139586 /nfs/dbraw/zinc/13/95/86/1014139586.db2.gz VZKXYAVNMHZDFJ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(C)C)C[C@H]1C ZINC001449022652 1014139587 /nfs/dbraw/zinc/13/95/87/1014139587.db2.gz VZKXYAVNMHZDFJ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C[C@@H]3CNCCO3)C2)C1 ZINC001549127101 1014144207 /nfs/dbraw/zinc/14/42/07/1014144207.db2.gz PJKFUPUIOOCOMJ-TUVASFSCSA-N 1 3 311.426 0.110 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001522694148 1014306172 /nfs/dbraw/zinc/30/61/72/1014306172.db2.gz BWMLWZXSHHSIOR-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001522798557 1014381462 /nfs/dbraw/zinc/38/14/62/1014381462.db2.gz DADWOHHMZVYVJV-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC001449353330 1014432104 /nfs/dbraw/zinc/43/21/04/1014432104.db2.gz RMDRZRCVBNCGJO-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCNC(=O)CN(C)C2CCC2)C1 ZINC001522940953 1014482618 /nfs/dbraw/zinc/48/26/18/1014482618.db2.gz DNCXTFXYTFAGGW-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCNC(=O)CN(C)C2CCC2)C1 ZINC001522940953 1014482624 /nfs/dbraw/zinc/48/26/24/1014482624.db2.gz DNCXTFXYTFAGGW-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2CNC(=O)CC[NH+](C)C)CCC1 ZINC001529415739 1014549015 /nfs/dbraw/zinc/54/90/15/1014549015.db2.gz NAUIJUKATZJPNG-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001550114417 1014580730 /nfs/dbraw/zinc/58/07/30/1014580730.db2.gz RZQRSRPUBZBXNO-VYDXJSESSA-N 1 3 301.390 0.053 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001550193726 1014621252 /nfs/dbraw/zinc/62/12/52/1014621252.db2.gz GZSBDYLCTYBXSC-RBSFLKMASA-N 1 3 310.442 0.368 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001550193726 1014621259 /nfs/dbraw/zinc/62/12/59/1014621259.db2.gz GZSBDYLCTYBXSC-RBSFLKMASA-N 1 3 310.442 0.368 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001530573080 1014813673 /nfs/dbraw/zinc/81/36/73/1014813673.db2.gz AOXGLEVYGDXERS-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550725054 1014817048 /nfs/dbraw/zinc/81/70/48/1014817048.db2.gz YSYXUGMCARXMOO-VNHYZAJKSA-N 1 3 303.362 0.627 20 0 DCADHO [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)C[C@H]21 ZINC001550731772 1014820955 /nfs/dbraw/zinc/82/09/55/1014820955.db2.gz OXVTUQVLXOTPSV-LVQVYYBASA-N 1 3 300.406 0.720 20 0 DCADHO CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001550736515 1014827628 /nfs/dbraw/zinc/82/76/28/1014827628.db2.gz ROPUCKVXPCJOJZ-FMKPAKJESA-N 1 3 318.421 0.631 20 0 DCADHO CN1[C@H]2CN(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)C[C@H]2C[C@H]1CO ZINC001550748360 1014834611 /nfs/dbraw/zinc/83/46/11/1014834611.db2.gz RQBBRTVFAKCGJW-KBXIAJHMSA-N 1 3 324.469 0.471 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001530610095 1014836830 /nfs/dbraw/zinc/83/68/30/1014836830.db2.gz FRVMENHGLJUFJA-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550761797 1014850745 /nfs/dbraw/zinc/85/07/45/1014850745.db2.gz GJBOUZVCQAGMDQ-UHOFOFEASA-N 1 3 302.422 0.856 20 0 DCADHO CCc1nocc1CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550913897 1014911487 /nfs/dbraw/zinc/91/14/87/1014911487.db2.gz QKFLHTXUGJTMHS-HOCLYGCPSA-N 1 3 306.410 0.973 20 0 DCADHO CC(C)[C@H](C)NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550914430 1014913262 /nfs/dbraw/zinc/91/32/62/1014913262.db2.gz WGRLOUOOIJULHG-RVSPLBMKSA-N 1 3 324.469 0.384 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001530844984 1014958123 /nfs/dbraw/zinc/95/81/23/1014958123.db2.gz GLUBRKRJSDSRAY-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001383466901 984876428 /nfs/dbraw/zinc/87/64/28/984876428.db2.gz HCKAYTSLLSFJLR-TUVASFSCSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001383466901 984876433 /nfs/dbraw/zinc/87/64/33/984876433.db2.gz HCKAYTSLLSFJLR-TUVASFSCSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001383489975 984898157 /nfs/dbraw/zinc/89/81/57/984898157.db2.gz IDDWKYFSJKKJNF-STQMWFEESA-N 1 3 321.425 0.400 20 0 DCADHO CC1([NH+]2CCC2)CCC(NC(=O)N2CCNC[C@@H](O)C2)CC1 ZINC001551473534 1015109186 /nfs/dbraw/zinc/10/91/86/1015109186.db2.gz RGLXDXBZCVOVKB-NPCAHTBFSA-N 1 3 310.442 0.369 20 0 DCADHO [NH3+]CC1(c2ccccc2)CC(NC(=O)NC[C@@H]2CNCCO2)C1 ZINC001551488201 1015114166 /nfs/dbraw/zinc/11/41/66/1015114166.db2.gz WPHVIHMOWRWDDI-CKDBGZEDSA-N 1 3 318.421 0.333 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001384088183 985352207 /nfs/dbraw/zinc/35/22/07/985352207.db2.gz VJJFSONXTXJTMV-JSGCOSHPSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC001384088183 985352214 /nfs/dbraw/zinc/35/22/14/985352214.db2.gz VJJFSONXTXJTMV-JSGCOSHPSA-N 1 3 321.425 0.400 20 0 DCADHO CN(C(=O)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)[C@H]1CCN(C)C1 ZINC001551543756 1015132797 /nfs/dbraw/zinc/13/27/97/1015132797.db2.gz VRSSJFRDNXECHK-DRZSPHRISA-N 1 3 320.359 0.874 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001384539115 985648436 /nfs/dbraw/zinc/64/84/36/985648436.db2.gz ZEVAUZHBDJETAY-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001525478826 1015149598 /nfs/dbraw/zinc/14/95/98/1015149598.db2.gz WCEOEAOUKCCLOT-MELADBBJSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001525478826 1015149607 /nfs/dbraw/zinc/14/96/07/1015149607.db2.gz WCEOEAOUKCCLOT-MELADBBJSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)CCC1 ZINC001385167541 986132530 /nfs/dbraw/zinc/13/25/30/986132530.db2.gz ZNEBCCYXVIRFSU-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001385604304 986464337 /nfs/dbraw/zinc/46/43/37/986464337.db2.gz HUQZZQUNEBQXMO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001385604304 986464340 /nfs/dbraw/zinc/46/43/40/986464340.db2.gz HUQZZQUNEBQXMO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385707091 986536097 /nfs/dbraw/zinc/53/60/97/986536097.db2.gz LZHFJOBNMCLMFC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385707091 986536105 /nfs/dbraw/zinc/53/61/05/986536105.db2.gz LZHFJOBNMCLMFC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001386178825 986920119 /nfs/dbraw/zinc/92/01/19/986920119.db2.gz HLCARPXBKOHROS-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001386178825 986920129 /nfs/dbraw/zinc/92/01/29/986920129.db2.gz HLCARPXBKOHROS-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)CCC1 ZINC001386318487 987069017 /nfs/dbraw/zinc/06/90/17/987069017.db2.gz MTUWECIVDFYSBQ-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO COC1CCN(CCNC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552155849 1015295256 /nfs/dbraw/zinc/29/52/56/1015295256.db2.gz XQRUPWTUBJOEJV-HZPDHXFCSA-N 1 3 309.454 0.849 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001526693965 1015320660 /nfs/dbraw/zinc/32/06/60/1015320660.db2.gz HIXBSXJBAXBWGE-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001526693965 1015320670 /nfs/dbraw/zinc/32/06/70/1015320670.db2.gz HIXBSXJBAXBWGE-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC)N(C)C ZINC001450754942 1015339945 /nfs/dbraw/zinc/33/99/45/1015339945.db2.gz ZOEOIMGRQFHLJT-SOUVJXGZSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC)N(C)C ZINC001450754942 1015339952 /nfs/dbraw/zinc/33/99/52/1015339952.db2.gz ZOEOIMGRQFHLJT-SOUVJXGZSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001388682859 988508848 /nfs/dbraw/zinc/50/88/48/988508848.db2.gz SOMGTGUDKKZJCO-LZWOXQAQSA-N 1 3 321.469 0.991 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001388703648 988525942 /nfs/dbraw/zinc/52/59/42/988525942.db2.gz OEHAGPRRETVOPT-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001388731844 988547284 /nfs/dbraw/zinc/54/72/84/988547284.db2.gz ABXYWHHOWZAQOO-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001390063908 989788258 /nfs/dbraw/zinc/78/82/58/989788258.db2.gz FHQXRMSEJQPNRB-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001390063908 989788266 /nfs/dbraw/zinc/78/82/66/989788266.db2.gz FHQXRMSEJQPNRB-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001390087859 989810097 /nfs/dbraw/zinc/81/00/97/989810097.db2.gz YGYONFNKSZSIBN-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001390113975 989834119 /nfs/dbraw/zinc/83/41/19/989834119.db2.gz PMEIYDMSLKTLQG-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCc1cnnn1C ZINC001390165509 989882338 /nfs/dbraw/zinc/88/23/38/989882338.db2.gz WJOOIGTYLJDAGU-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCc1cnnn1C ZINC001390165509 989882346 /nfs/dbraw/zinc/88/23/46/989882346.db2.gz WJOOIGTYLJDAGU-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC001552753526 1015515919 /nfs/dbraw/zinc/51/59/19/1015515919.db2.gz VWEMGRDNSFXCSN-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N1CCCC1 ZINC001390471658 990129599 /nfs/dbraw/zinc/12/95/99/990129599.db2.gz ATFXKZKOKMDJQD-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001390552163 990193578 /nfs/dbraw/zinc/19/35/78/990193578.db2.gz GXJKVZWZFDNIRC-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)CCn2cncn2)C1 ZINC001390632350 990258875 /nfs/dbraw/zinc/25/88/75/990258875.db2.gz KCZLDUCBUBSIFJ-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)CCn2cncn2)C1 ZINC001390632350 990258882 /nfs/dbraw/zinc/25/88/82/990258882.db2.gz KCZLDUCBUBSIFJ-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001390706752 990316995 /nfs/dbraw/zinc/31/69/95/990316995.db2.gz OWQDAAKOUZUPPJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)CCc1cnn(C)c1)CC(C)(C)C ZINC001390819809 990412548 /nfs/dbraw/zinc/41/25/48/990412548.db2.gz QFVYUJFKVUMZED-UHFFFAOYSA-N 1 3 323.485 0.989 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)CCc1cnn(C)c1)CC(C)(C)C ZINC001390819809 990412555 /nfs/dbraw/zinc/41/25/55/990412555.db2.gz QFVYUJFKVUMZED-UHFFFAOYSA-N 1 3 323.485 0.989 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001451071560 1015573049 /nfs/dbraw/zinc/57/30/49/1015573049.db2.gz GLZYMFXTYGEEJQ-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001451071560 1015573056 /nfs/dbraw/zinc/57/30/56/1015573056.db2.gz GLZYMFXTYGEEJQ-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001391112587 990597886 /nfs/dbraw/zinc/59/78/86/990597886.db2.gz OQAPPGSVKLJHOG-JKSUJKDBSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001391112587 990597890 /nfs/dbraw/zinc/59/78/90/990597890.db2.gz OQAPPGSVKLJHOG-JKSUJKDBSA-N 1 3 321.469 0.907 20 0 DCADHO C[C@H](NCCN(C)C(=O)c1ccccc1CC[NH+](C)C)C(N)=O ZINC001391209635 990671006 /nfs/dbraw/zinc/67/10/06/990671006.db2.gz CNVFTQULCSBFDX-ZDUSSCGKSA-N 1 3 320.437 0.326 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)CC[NH+]2CCCCC2)C1=O ZINC001391228359 990687093 /nfs/dbraw/zinc/68/70/93/990687093.db2.gz YXHJGHGBGVEKOI-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO COC[C@@H](O)CN1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391625225 991029349 /nfs/dbraw/zinc/02/93/49/991029349.db2.gz VDRWIRQYANCNAB-SOUVJXGZSA-N 1 3 315.458 0.113 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001391859635 991229624 /nfs/dbraw/zinc/22/96/24/991229624.db2.gz IDFFONHBESWNIV-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392069525 991461306 /nfs/dbraw/zinc/46/13/06/991461306.db2.gz CBCGFMDNOJBHOI-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001392103231 991491567 /nfs/dbraw/zinc/49/15/67/991491567.db2.gz UOYPDJSDSFKCAZ-JSGCOSHPSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392126140 991524347 /nfs/dbraw/zinc/52/43/47/991524347.db2.gz SIGJZVUFVVLTTJ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392126140 991524357 /nfs/dbraw/zinc/52/43/57/991524357.db2.gz SIGJZVUFVVLTTJ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001392151863 991553829 /nfs/dbraw/zinc/55/38/29/991553829.db2.gz LPQNOPUEELUHSJ-CHWSQXEVSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001392168906 991569927 /nfs/dbraw/zinc/56/99/27/991569927.db2.gz OUHCJPUVOJFTSK-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553220214 1015645250 /nfs/dbraw/zinc/64/52/50/1015645250.db2.gz IKPSABPICZYACT-OAGGEKHMSA-N 1 3 324.469 0.711 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553220214 1015645256 /nfs/dbraw/zinc/64/52/56/1015645256.db2.gz IKPSABPICZYACT-OAGGEKHMSA-N 1 3 324.469 0.711 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1)[NH+](C)C ZINC001392926752 992551471 /nfs/dbraw/zinc/55/14/71/992551471.db2.gz HNNPGQJBPUCSKG-QWHCGFSZSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccn(C)c(=O)c2)CC1)N(C)C ZINC001392949680 992577688 /nfs/dbraw/zinc/57/76/88/992577688.db2.gz NODACLGURIIFSP-CQSZACIVSA-N 1 3 320.437 0.464 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(=O)N(C)C ZINC001393051640 992651279 /nfs/dbraw/zinc/65/12/79/992651279.db2.gz HOQKDBBTXWYZJI-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1CNCC(=O)NC)[NH+](CC)CC ZINC001393059388 992657857 /nfs/dbraw/zinc/65/78/57/992657857.db2.gz WOGNXQWYQFHETM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001393160466 992722125 /nfs/dbraw/zinc/72/21/25/992722125.db2.gz LFXGGWCXRSJVTC-BBRMVZONSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001393226012 992758156 /nfs/dbraw/zinc/75/81/56/992758156.db2.gz WHXJOTNNEMHJOT-OKILXGFUSA-N 1 3 313.442 0.107 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393249677 992788745 /nfs/dbraw/zinc/78/87/45/992788745.db2.gz JWXAHTWXYLYRGA-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393249677 992788750 /nfs/dbraw/zinc/78/87/50/992788750.db2.gz JWXAHTWXYLYRGA-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001393496257 993033433 /nfs/dbraw/zinc/03/34/33/993033433.db2.gz YMPRYCWCFAFFRP-AJNGGQMLSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001393599368 993114898 /nfs/dbraw/zinc/11/48/98/993114898.db2.gz XMHWJJOYTYSQBR-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)[C@@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001393650002 993155052 /nfs/dbraw/zinc/15/50/52/993155052.db2.gz WYHJJWLNNDUCLO-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001393650002 993155056 /nfs/dbraw/zinc/15/50/56/993155056.db2.gz WYHJJWLNNDUCLO-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO COC[C@H](C)[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001393779950 993247146 /nfs/dbraw/zinc/24/71/46/993247146.db2.gz YZZSNIPFWVPSKF-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO COC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001393779952 993248464 /nfs/dbraw/zinc/24/84/64/993248464.db2.gz YZZSNIPFWVPSKF-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001394006560 993406914 /nfs/dbraw/zinc/40/69/14/993406914.db2.gz FNOYUTDTBZTCDT-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)CCn1cncn1)[NH+](C)C ZINC001394125205 993496238 /nfs/dbraw/zinc/49/62/38/993496238.db2.gz LEWZRKWIPVJZCM-ZIAGYGMSSA-N 1 3 310.446 0.301 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001394132867 993504058 /nfs/dbraw/zinc/50/40/58/993504058.db2.gz DCCZIXZYFJALPX-JKSUJKDBSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001394132867 993504062 /nfs/dbraw/zinc/50/40/62/993504062.db2.gz DCCZIXZYFJALPX-JKSUJKDBSA-N 1 3 321.469 0.888 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001394536667 993807208 /nfs/dbraw/zinc/80/72/08/993807208.db2.gz DBSPOSWJNGZXGQ-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399931538 993948347 /nfs/dbraw/zinc/94/83/47/993948347.db2.gz LURRALNLURPBOE-RRFJBIMHSA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399931538 993948357 /nfs/dbraw/zinc/94/83/57/993948357.db2.gz LURRALNLURPBOE-RRFJBIMHSA-N 1 3 315.458 0.018 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)CC)C[C@H]1C ZINC001394667144 993995702 /nfs/dbraw/zinc/99/57/02/993995702.db2.gz HSQFPVITVKMFCD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001394669739 993998973 /nfs/dbraw/zinc/99/89/73/993998973.db2.gz OJLVQXXJBZAWDO-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(CC(=O)NC3CC3)C2)C1 ZINC001400183371 994246439 /nfs/dbraw/zinc/24/64/39/994246439.db2.gz IVWQAVWUWYIKMB-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(CC(=O)NC3CC3)C2)C1 ZINC001400183371 994246443 /nfs/dbraw/zinc/24/64/43/994246443.db2.gz IVWQAVWUWYIKMB-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO COC[C@@H](O)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001400250554 994338634 /nfs/dbraw/zinc/33/86/34/994338634.db2.gz XVMIPKQVGHWSOC-HNNXBMFYSA-N 1 3 324.425 0.130 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001400250554 994338643 /nfs/dbraw/zinc/33/86/43/994338643.db2.gz XVMIPKQVGHWSOC-HNNXBMFYSA-N 1 3 324.425 0.130 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC001400295717 994392588 /nfs/dbraw/zinc/39/25/88/994392588.db2.gz JTKSAZYKLQLGPS-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC001400295717 994392600 /nfs/dbraw/zinc/39/26/00/994392600.db2.gz JTKSAZYKLQLGPS-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001395291603 994568418 /nfs/dbraw/zinc/56/84/18/994568418.db2.gz UUUIKJQAHNQYMV-CYBMUJFWSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cncn1C ZINC001400860826 995019670 /nfs/dbraw/zinc/01/96/70/995019670.db2.gz IFROEHUAXDOLHH-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001400865202 995020506 /nfs/dbraw/zinc/02/05/06/995020506.db2.gz VMIPELKCUYKRIJ-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001400901629 995050813 /nfs/dbraw/zinc/05/08/13/995050813.db2.gz RWTYNSHCNYABJS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001400901629 995050822 /nfs/dbraw/zinc/05/08/22/995050822.db2.gz RWTYNSHCNYABJS-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001397133087 995815972 /nfs/dbraw/zinc/81/59/72/995815972.db2.gz HSZXPDGGSKUWAZ-CTYIDZIISA-N 1 3 307.442 0.746 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001397223216 995872598 /nfs/dbraw/zinc/87/25/98/995872598.db2.gz CUWZLKPACFKHKA-JOCQHMNTSA-N 1 3 321.425 0.366 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCF)C1)N(C)C ZINC001502589015 1015985426 /nfs/dbraw/zinc/98/54/26/1015985426.db2.gz LQLBOCDBGQYIPL-DZGCQCFKSA-N 1 3 303.422 0.629 20 0 DCADHO CC[C@@H](C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1)OC ZINC001502591522 1015988070 /nfs/dbraw/zinc/98/80/70/1015988070.db2.gz BWKOAODBMBDGFM-GOEBONIOSA-N 1 3 324.425 0.320 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001397666593 996123211 /nfs/dbraw/zinc/12/32/11/996123211.db2.gz PVWXTDNGGXILEY-IHRRRGAJSA-N 1 3 320.441 0.141 20 0 DCADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001398337460 996476871 /nfs/dbraw/zinc/47/68/71/996476871.db2.gz FHGKCDKBHPKYLK-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001398445440 996520122 /nfs/dbraw/zinc/52/01/22/996520122.db2.gz KWENLCLEPSXHKV-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001398445440 996520126 /nfs/dbraw/zinc/52/01/26/996520126.db2.gz KWENLCLEPSXHKV-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502737724 1016047658 /nfs/dbraw/zinc/04/76/58/1016047658.db2.gz BNFJXPYQXLUMGR-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC3CC3)C2)CCC1 ZINC001398617463 996606012 /nfs/dbraw/zinc/60/60/12/996606012.db2.gz GRUKXUUZOBCGIE-OKILXGFUSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001398632217 996613806 /nfs/dbraw/zinc/61/38/06/996613806.db2.gz YPZCLBAVZVQQRC-YUELXQCFSA-N 1 3 322.453 0.091 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001502754213 1016057076 /nfs/dbraw/zinc/05/70/76/1016057076.db2.gz MNBFRSMWTXELFE-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001398940867 996763806 /nfs/dbraw/zinc/76/38/06/996763806.db2.gz IHSHGNKTJGDBFZ-ZFWWWQNUSA-N 1 3 309.458 0.643 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001399107629 996972052 /nfs/dbraw/zinc/97/20/52/996972052.db2.gz JSXOGUKSNHRXIT-AAEUAGOBSA-N 1 3 315.849 0.971 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCCC1 ZINC001399108799 996973414 /nfs/dbraw/zinc/97/34/14/996973414.db2.gz KGHGKGKIAOXTED-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCCC1 ZINC001399108799 996973424 /nfs/dbraw/zinc/97/34/24/996973424.db2.gz KGHGKGKIAOXTED-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)Cc1c[nH]cn1 ZINC001404427983 997101190 /nfs/dbraw/zinc/10/11/90/997101190.db2.gz MDPAQGJGZLVWDT-GFCCVEGCSA-N 1 3 319.409 0.011 20 0 DCADHO COc1nccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCN2C)n1 ZINC001399322430 997211361 /nfs/dbraw/zinc/21/13/61/997211361.db2.gz NXDLAAMPMRUNLB-OCCSQVGLSA-N 1 3 321.425 0.564 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001399347483 997251796 /nfs/dbraw/zinc/25/17/96/997251796.db2.gz YAGPJZJORYEXDL-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C1(C(=O)N2CCC(O)(C[NH2+]CC3CC3)CC2)CCC1 ZINC001502872653 1016112964 /nfs/dbraw/zinc/11/29/64/1016112964.db2.gz AXKSOEADABJXSE-UHFFFAOYSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001404958036 997623646 /nfs/dbraw/zinc/62/36/46/997623646.db2.gz IOODFTYNVSMQBL-AWEZNQCLSA-N 1 3 321.425 0.257 20 0 DCADHO COC[C@H](C)N1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001405068853 997752034 /nfs/dbraw/zinc/75/20/34/997752034.db2.gz XGVJGWDFQBAYRJ-UONOGXRCSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001503290587 1016158295 /nfs/dbraw/zinc/15/82/95/1016158295.db2.gz HSBWLICWIVMDMD-BFHYXJOUSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1n[nH]c(C)n1 ZINC001405295285 998074717 /nfs/dbraw/zinc/07/47/17/998074717.db2.gz SJTKYXYWDLILFZ-ZDUSSCGKSA-N 1 3 308.430 0.439 20 0 DCADHO Cc1ccc(C)c(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001507259212 1016190516 /nfs/dbraw/zinc/19/05/16/1016190516.db2.gz CURZYSRVKZMCLO-WBVHZDCISA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(C)c(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001507259212 1016190524 /nfs/dbraw/zinc/19/05/24/1016190524.db2.gz CURZYSRVKZMCLO-WBVHZDCISA-N 1 3 319.449 0.822 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)CN1CCCC1 ZINC001405491790 998275160 /nfs/dbraw/zinc/27/51/60/998275160.db2.gz RTYSXGVMYJJIHL-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001505398483 1016213638 /nfs/dbraw/zinc/21/36/38/1016213638.db2.gz JYSWIIPLPLMTDV-UHFFFAOYSA-N 1 3 324.469 0.374 20 0 DCADHO COc1ccc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001405745967 998528845 /nfs/dbraw/zinc/52/88/45/998528845.db2.gz VIFZCMMRAWHJJK-STQMWFEESA-N 1 3 321.425 0.279 20 0 DCADHO COc1ccc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001405745967 998528856 /nfs/dbraw/zinc/52/88/56/998528856.db2.gz VIFZCMMRAWHJJK-STQMWFEESA-N 1 3 321.425 0.279 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccnn2C)[C@@H]1C ZINC001507300295 1016230493 /nfs/dbraw/zinc/23/04/93/1016230493.db2.gz ZJEASQDYNDLZKN-DZGCQCFKSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CN1C(=O)CC[NH+](C)C ZINC001511284964 1016247002 /nfs/dbraw/zinc/24/70/02/1016247002.db2.gz CXLLFCVCFMBDGW-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001401121408 1000208236 /nfs/dbraw/zinc/20/82/36/1000208236.db2.gz MZMJLIFEAFPQRH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccn(C)c(=O)c2)CC[N@@H+]1C ZINC001418461291 1000244726 /nfs/dbraw/zinc/24/47/26/1000244726.db2.gz NMVCNJNQTWXWKA-UKRRQHHQSA-N 1 3 320.437 0.274 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccn(C)c(=O)c2)CC[N@H+]1C ZINC001418461291 1000244730 /nfs/dbraw/zinc/24/47/30/1000244730.db2.gz NMVCNJNQTWXWKA-UKRRQHHQSA-N 1 3 320.437 0.274 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001401215911 1000279299 /nfs/dbraw/zinc/27/92/99/1000279299.db2.gz PPEQWAARFSJRFM-MELADBBJSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C)CC[N@H+]1C ZINC001401215911 1000279302 /nfs/dbraw/zinc/27/93/02/1000279302.db2.gz PPEQWAARFSJRFM-MELADBBJSA-N 1 3 312.458 0.241 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401240382 1000299712 /nfs/dbraw/zinc/29/97/12/1000299712.db2.gz AODDKFPESFGVQA-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001418544948 1000332827 /nfs/dbraw/zinc/33/28/27/1000332827.db2.gz DGOOCDWUKOXFOH-UKRRQHHQSA-N 1 3 307.442 0.697 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001418545643 1000333226 /nfs/dbraw/zinc/33/32/26/1000333226.db2.gz BMUQZDJSRHVFSR-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1ccn(C)n1 ZINC001401298129 1000336976 /nfs/dbraw/zinc/33/69/76/1000336976.db2.gz ODWYPACEUNSVRF-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCO)[C@H]2C1(C)C ZINC001418755905 1000494993 /nfs/dbraw/zinc/49/49/93/1000494993.db2.gz YYYFGECIHNQZLF-NUEKZKHPSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCO)[C@H]2C1(C)C ZINC001418755905 1000494998 /nfs/dbraw/zinc/49/49/98/1000494998.db2.gz YYYFGECIHNQZLF-NUEKZKHPSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401618375 1000555906 /nfs/dbraw/zinc/55/59/06/1000555906.db2.gz KRZLIPHQFDAAOT-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001418894563 1000597697 /nfs/dbraw/zinc/59/76/97/1000597697.db2.gz ILTSPZKRRLMJJJ-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001401714807 1000653986 /nfs/dbraw/zinc/65/39/86/1000653986.db2.gz TYBNVLOOLZXVAB-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)n[nH]1 ZINC001419254583 1000923793 /nfs/dbraw/zinc/92/37/93/1000923793.db2.gz UJKDOLBHPZVHJL-LERXQTSPSA-N 1 3 320.441 0.438 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)n[nH]1 ZINC001419254583 1000923797 /nfs/dbraw/zinc/92/37/97/1000923797.db2.gz UJKDOLBHPZVHJL-LERXQTSPSA-N 1 3 320.441 0.438 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402039319 1000965247 /nfs/dbraw/zinc/96/52/47/1000965247.db2.gz LCHNCBGTRSHIPF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CNCC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001419311834 1000968721 /nfs/dbraw/zinc/96/87/21/1000968721.db2.gz WKHFICQNLIASCG-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001402048803 1000973230 /nfs/dbraw/zinc/97/32/30/1000973230.db2.gz HGBCYUBDUZMKPQ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCn2cncn2)CC1)N(C)C ZINC001402087546 1001005715 /nfs/dbraw/zinc/00/57/15/1001005715.db2.gz GGTRCESAZDFABO-AWEZNQCLSA-N 1 3 322.457 0.589 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001419377228 1001007846 /nfs/dbraw/zinc/00/78/46/1001007846.db2.gz WYIBUYQPMMPJMF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001419379190 1001009925 /nfs/dbraw/zinc/00/99/25/1001009925.db2.gz WDIAKMOVENNGLY-AAVRWANBSA-N 1 3 312.458 0.463 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)CNCCF)[NH+]1CCCC1 ZINC001507567981 1016457734 /nfs/dbraw/zinc/45/77/34/1016457734.db2.gz PCDQVHQZJQHTBX-KGLIPLIRSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)N1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001402101139 1001014506 /nfs/dbraw/zinc/01/45/06/1001014506.db2.gz JWUHECBRMIOBPG-MRXNPFEDSA-N 1 3 308.470 0.470 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001402102204 1001016234 /nfs/dbraw/zinc/01/62/34/1001016234.db2.gz DLKKFMXJLLQUJC-ILXRZTDVSA-N 1 3 315.433 0.724 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001402102204 1001016242 /nfs/dbraw/zinc/01/62/42/1001016242.db2.gz DLKKFMXJLLQUJC-ILXRZTDVSA-N 1 3 315.433 0.724 20 0 DCADHO O=C(CN1CCCC1)NCCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001419417803 1001034064 /nfs/dbraw/zinc/03/40/64/1001034064.db2.gz VNYARXVEVZMWSM-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001419432599 1001045441 /nfs/dbraw/zinc/04/54/41/1001045441.db2.gz XVWHZBVZMWKBAN-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001419432599 1001045447 /nfs/dbraw/zinc/04/54/47/1001045447.db2.gz XVWHZBVZMWKBAN-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO C[NH+]1CCC(CC(=O)NCC2(NCCF)CCOCC2)CC1 ZINC001402246803 1001136718 /nfs/dbraw/zinc/13/67/18/1001136718.db2.gz NLDPXZJAMCONKV-UHFFFAOYSA-N 1 3 315.433 0.943 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001419611809 1001170260 /nfs/dbraw/zinc/17/02/60/1001170260.db2.gz DGRLJTAVWPZNHY-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001419611809 1001170264 /nfs/dbraw/zinc/17/02/64/1001170264.db2.gz DGRLJTAVWPZNHY-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CCN(C)C(=O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402364636 1001253698 /nfs/dbraw/zinc/25/36/98/1001253698.db2.gz OYAQXIIUJHQZGK-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001402402745 1001282093 /nfs/dbraw/zinc/28/20/93/1001282093.db2.gz JOILCPGZVINXDE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001402402745 1001282099 /nfs/dbraw/zinc/28/20/99/1001282099.db2.gz JOILCPGZVINXDE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001419755786 1001284119 /nfs/dbraw/zinc/28/41/19/1001284119.db2.gz CBWBNTGOXHCMHL-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402451123 1001320143 /nfs/dbraw/zinc/32/01/43/1001320143.db2.gz AVVISNQXJYWDAB-ZFWWWQNUSA-N 1 3 324.425 0.176 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001419843793 1001349097 /nfs/dbraw/zinc/34/90/97/1001349097.db2.gz UTMGTXCIVYHOLG-LBPRGKRZSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(C)(C)C ZINC001419852846 1001357062 /nfs/dbraw/zinc/35/70/62/1001357062.db2.gz PZUCOWMLDWBBSA-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001402506673 1001367554 /nfs/dbraw/zinc/36/75/54/1001367554.db2.gz KGLUAWSQYOXPPA-KBUPBQIOSA-N 1 3 324.469 0.430 20 0 DCADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001402545490 1001398376 /nfs/dbraw/zinc/39/83/76/1001398376.db2.gz CTRLWIDTTIUNCD-HDJSIYSDSA-N 1 3 322.457 0.683 20 0 DCADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@H]1CCNC1=O ZINC001419928134 1001413178 /nfs/dbraw/zinc/41/31/78/1001413178.db2.gz KLQMWGIQZOECOV-WFASDCNBSA-N 1 3 318.421 0.345 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(CCNC(=O)C2CC2)C1 ZINC001402664607 1001463650 /nfs/dbraw/zinc/46/36/50/1001463650.db2.gz KJHJRRLNRUYOLV-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001402700546 1001475133 /nfs/dbraw/zinc/47/51/33/1001475133.db2.gz QVRBFOSHFXPSSD-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001402755908 1001490612 /nfs/dbraw/zinc/49/06/12/1001490612.db2.gz COIZOJRWPHPWFZ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21)N(C)C ZINC001402800670 1001508381 /nfs/dbraw/zinc/50/83/81/1001508381.db2.gz CAZJCGUSGXXMLT-ARKGTOAJSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21)N(C)C ZINC001402800670 1001508384 /nfs/dbraw/zinc/50/83/84/1001508384.db2.gz CAZJCGUSGXXMLT-ARKGTOAJSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCC(=O)N(C)C ZINC001402883566 1001555903 /nfs/dbraw/zinc/55/59/03/1001555903.db2.gz PRTVPMRCABKPOY-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001402909785 1001571435 /nfs/dbraw/zinc/57/14/35/1001571435.db2.gz JPZKSAXHSYCMLB-WFASDCNBSA-N 1 3 309.458 0.909 20 0 DCADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2CC)C1 ZINC001402945671 1001594493 /nfs/dbraw/zinc/59/44/93/1001594493.db2.gz FGMHZGGYAMKALM-YMAMQOFZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCCCC1 ZINC001402978033 1001615398 /nfs/dbraw/zinc/61/53/98/1001615398.db2.gz JOTHUBWTSRHUFU-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001403030103 1001640602 /nfs/dbraw/zinc/64/06/02/1001640602.db2.gz YGCCKWRLYUQXFY-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001403105390 1001675541 /nfs/dbraw/zinc/67/55/41/1001675541.db2.gz YKHLHVGKYAVIMM-SCZZXKLOSA-N 1 3 322.331 0.668 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)CC)C2)CC[N@@H+]1C ZINC001403162277 1001701806 /nfs/dbraw/zinc/70/18/06/1001701806.db2.gz PVXLDIVKAQDSSY-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001403162277 1001701807 /nfs/dbraw/zinc/70/18/07/1001701807.db2.gz PVXLDIVKAQDSSY-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001505760419 1016533249 /nfs/dbraw/zinc/53/32/49/1016533249.db2.gz KKDOOTVBPZLDHF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccnn1C ZINC001403447744 1001973238 /nfs/dbraw/zinc/97/32/38/1001973238.db2.gz SHWQBKHDEMKDEW-GJZGRUSLSA-N 1 3 321.469 0.789 20 0 DCADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)CN2CCCC2)ncn1 ZINC001403460845 1001988239 /nfs/dbraw/zinc/98/82/39/1001988239.db2.gz DRRRFAGVDKRYOE-CYBMUJFWSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@H]([NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001505780389 1016553069 /nfs/dbraw/zinc/55/30/69/1016553069.db2.gz FXCMRXQMWPGHME-OPFPJEHXSA-N 1 3 324.469 0.704 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCc1ccnn1C ZINC001424811897 1002050682 /nfs/dbraw/zinc/05/06/82/1002050682.db2.gz BUPOOQGCFIVVOP-QWHCGFSZSA-N 1 3 307.442 0.745 20 0 DCADHO CCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001424811532 1002053007 /nfs/dbraw/zinc/05/30/07/1002053007.db2.gz VWCIQWLJPZKDSO-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCC(=O)NC(C)(C)C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001424868489 1002109855 /nfs/dbraw/zinc/10/98/55/1002109855.db2.gz ZCIQJHKQTZHXDN-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)CN(C)C(C)C ZINC001420251179 1002115166 /nfs/dbraw/zinc/11/51/66/1002115166.db2.gz KYGBYDRZAPWFOS-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001403605896 1002196398 /nfs/dbraw/zinc/19/63/98/1002196398.db2.gz UUVCDHJGIGHUGS-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(C(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1)C1CC1 ZINC001403625348 1002227697 /nfs/dbraw/zinc/22/76/97/1002227697.db2.gz HODSSFKJXKGYPM-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C)C[C@@H]1CCc2ncnn21 ZINC001420324960 1002228083 /nfs/dbraw/zinc/22/80/83/1002228083.db2.gz QDFSRMYAKWDYGP-ZDUSSCGKSA-N 1 3 308.430 0.155 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C)C[C@@H]1CCc2ncnn21 ZINC001420324960 1002228089 /nfs/dbraw/zinc/22/80/89/1002228089.db2.gz QDFSRMYAKWDYGP-ZDUSSCGKSA-N 1 3 308.430 0.155 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C2CCC2)C1=O)NC(=O)CC[NH+](C)C ZINC001420343253 1002255362 /nfs/dbraw/zinc/25/53/62/1002255362.db2.gz YHNYAZQZVIVAHU-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)Cc1ccccc1 ZINC001420343855 1002255426 /nfs/dbraw/zinc/25/54/26/1002255426.db2.gz KFDJBYNLDILIOM-IAGOWNOFSA-N 1 3 319.449 0.590 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)Cc1ccccc1 ZINC001420343855 1002255433 /nfs/dbraw/zinc/25/54/33/1002255433.db2.gz KFDJBYNLDILIOM-IAGOWNOFSA-N 1 3 319.449 0.590 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001420353155 1002269077 /nfs/dbraw/zinc/26/90/77/1002269077.db2.gz LRXMVEMSBIQHMO-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)CCO[C@H]2CC2(F)F)C1 ZINC001403688808 1002355377 /nfs/dbraw/zinc/35/53/77/1002355377.db2.gz SOELDGWOVOSZPW-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)CCO[C@H]2CC2(F)F)C1 ZINC001403688808 1002355389 /nfs/dbraw/zinc/35/53/89/1002355389.db2.gz SOELDGWOVOSZPW-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)CCO[C@@H]2CC2(F)F)C1 ZINC001403688818 1002357163 /nfs/dbraw/zinc/35/71/63/1002357163.db2.gz SOELDGWOVOSZPW-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)CCO[C@@H]2CC2(F)F)C1 ZINC001403688818 1002357169 /nfs/dbraw/zinc/35/71/69/1002357169.db2.gz SOELDGWOVOSZPW-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H](CN[C@H]2CCNC2=O)C(C)(C)C)CC1 ZINC001508016795 1016611371 /nfs/dbraw/zinc/61/13/71/1016611371.db2.gz YFDHTCAZDCARCQ-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO NC(=O)CNCC1(NC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001425181606 1002423876 /nfs/dbraw/zinc/42/38/76/1002423876.db2.gz LSEKSGHJKHASFN-UHFFFAOYSA-N 1 3 324.469 0.756 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)CC[NH+]1CCCCC1 ZINC001420518874 1002543021 /nfs/dbraw/zinc/54/30/21/1002543021.db2.gz SQEAYKOPCYQFED-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)C1=O ZINC001403804536 1002547194 /nfs/dbraw/zinc/54/71/94/1002547194.db2.gz JOVZUJYYOLYCNA-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001403891643 1002690878 /nfs/dbraw/zinc/69/08/78/1002690878.db2.gz YSWPQWRUMBIZHG-INIZCTEOSA-N 1 3 322.453 0.639 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCC(=O)N1CCCC1)C1CC1 ZINC001425501299 1002741972 /nfs/dbraw/zinc/74/19/72/1002741972.db2.gz WKFBJWYBTLGVHO-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001425557372 1002812134 /nfs/dbraw/zinc/81/21/34/1002812134.db2.gz OHEYPHKUKVKGKU-STQMWFEESA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N(C)CCN[C@H]1CCN(C)C1=O)[NH+](CC)CC ZINC001420722905 1002854965 /nfs/dbraw/zinc/85/49/65/1002854965.db2.gz HCSMXEUYHDZYHW-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCc1ccnn1C ZINC001425589702 1002858931 /nfs/dbraw/zinc/85/89/31/1002858931.db2.gz VZQPIQRNBXPERF-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC001404026623 1002918236 /nfs/dbraw/zinc/91/82/36/1002918236.db2.gz YJVGAPLFGYHYBY-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001404025616 1002919753 /nfs/dbraw/zinc/91/97/53/1002919753.db2.gz TVEUXROXNFDTMS-JXQTWKCFSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001420765792 1002927272 /nfs/dbraw/zinc/92/72/72/1002927272.db2.gz WMQYNHCTMSLKIM-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C(=O)NCC1=CCN(CCO)CC1)[NH+]1CCCC1 ZINC001508228212 1016729826 /nfs/dbraw/zinc/72/98/26/1016729826.db2.gz DNHDUBBWPSMPEQ-MRXNPFEDSA-N 1 3 309.454 0.847 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@H]1C ZINC001425925496 1003260195 /nfs/dbraw/zinc/26/01/95/1003260195.db2.gz VIPYDNBLSSGRFR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@H]1C ZINC001425925496 1003260205 /nfs/dbraw/zinc/26/02/05/1003260205.db2.gz VIPYDNBLSSGRFR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001426118549 1003447138 /nfs/dbraw/zinc/44/71/38/1003447138.db2.gz PPDIYRKJCCXGMQ-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C ZINC001406319509 1003601763 /nfs/dbraw/zinc/60/17/63/1003601763.db2.gz QYLZWRZMLSBUGB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C)n[nH]1 ZINC001426166693 1003632376 /nfs/dbraw/zinc/63/23/76/1003632376.db2.gz OGEMTSSVMWOYEQ-OLZOCXBDSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C)n[nH]1 ZINC001426166693 1003632381 /nfs/dbraw/zinc/63/23/81/1003632381.db2.gz OGEMTSSVMWOYEQ-OLZOCXBDSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC001426175343 1003639179 /nfs/dbraw/zinc/63/91/79/1003639179.db2.gz FCPLMUBTYFSBNN-GFCCVEGCSA-N 1 3 308.426 0.860 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC001426245777 1003673922 /nfs/dbraw/zinc/67/39/22/1003673922.db2.gz NEWCINSOUKSTKW-JXQTWKCFSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001406433752 1003713112 /nfs/dbraw/zinc/71/31/12/1003713112.db2.gz RCZIIRPJYSPVOB-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCn1cncn1 ZINC001492953304 1003809889 /nfs/dbraw/zinc/80/98/89/1003809889.db2.gz MERMUOATAFJPFS-HNNXBMFYSA-N 1 3 320.441 0.058 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001406543592 1003811903 /nfs/dbraw/zinc/81/19/03/1003811903.db2.gz JXYFMLCFFWCXIA-SWLSCSKDSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001426761558 1004016712 /nfs/dbraw/zinc/01/67/12/1004016712.db2.gz PDBOTWWUWDLTJV-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426761558 1004016725 /nfs/dbraw/zinc/01/67/25/1004016725.db2.gz PDBOTWWUWDLTJV-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001428572970 1004028737 /nfs/dbraw/zinc/02/87/37/1004028737.db2.gz DOJFHUHJAFDTNU-NWDGAFQWSA-N 1 3 323.441 0.612 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cncn1C)C1CC1)N(C)C ZINC001406783362 1004093765 /nfs/dbraw/zinc/09/37/65/1004093765.db2.gz BFQRKHLMBWRITI-GJZGRUSLSA-N 1 3 307.442 0.745 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406794319 1004102445 /nfs/dbraw/zinc/10/24/45/1004102445.db2.gz YRIDMGYBUXRQTC-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406794319 1004102450 /nfs/dbraw/zinc/10/24/50/1004102450.db2.gz YRIDMGYBUXRQTC-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCCCC1 ZINC001406794701 1004102638 /nfs/dbraw/zinc/10/26/38/1004102638.db2.gz VOBGOQPELFJDNJ-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001407008762 1004302874 /nfs/dbraw/zinc/30/28/74/1004302874.db2.gz OOKPKDKOQMCYSK-GASCZTMLSA-N 1 3 319.453 0.994 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001407149749 1004422301 /nfs/dbraw/zinc/42/23/01/1004422301.db2.gz RHAQCRIHUJMTBK-GJZGRUSLSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001407255251 1004499669 /nfs/dbraw/zinc/49/96/69/1004499669.db2.gz LDJFUSUYVPXJBL-KGLIPLIRSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@]2(C)CCC[N@H+](CCCO)C2)C1 ZINC001407300197 1004529112 /nfs/dbraw/zinc/52/91/12/1004529112.db2.gz OGOMRMIKMAKTLY-NVXWUHKLSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@]2(C)CCC[N@@H+](CCCO)C2)C1 ZINC001407300197 1004529120 /nfs/dbraw/zinc/52/91/20/1004529120.db2.gz OGOMRMIKMAKTLY-NVXWUHKLSA-N 1 3 311.470 0.929 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCC2CC2)C1)C1CCC1 ZINC001407340120 1004563740 /nfs/dbraw/zinc/56/37/40/1004563740.db2.gz BLVDHPQIUCGLSC-QGZVFWFLSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCC2CC2)C1)C1CCC1 ZINC001407340120 1004563745 /nfs/dbraw/zinc/56/37/45/1004563745.db2.gz BLVDHPQIUCGLSC-QGZVFWFLSA-N 1 3 309.454 0.824 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CCCN1C ZINC001429418777 1004587659 /nfs/dbraw/zinc/58/76/59/1004587659.db2.gz XYUOJOSQWVNXJD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CCCN1C ZINC001429418777 1004587664 /nfs/dbraw/zinc/58/76/64/1004587664.db2.gz XYUOJOSQWVNXJD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001407543693 1004720728 /nfs/dbraw/zinc/72/07/28/1004720728.db2.gz XMOXRWXOBYNRGT-CABCVRRESA-N 1 3 321.469 0.944 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2nnc(C)[nH]2)C1 ZINC001407546799 1004724399 /nfs/dbraw/zinc/72/43/99/1004724399.db2.gz UPQPESCYUKSPJQ-JSGCOSHPSA-N 1 3 322.457 0.639 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2nnc(C)[nH]2)C1 ZINC001407546799 1004724404 /nfs/dbraw/zinc/72/44/04/1004724404.db2.gz UPQPESCYUKSPJQ-JSGCOSHPSA-N 1 3 322.457 0.639 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCn2cncn2)CCC1)N(C)C ZINC001407787017 1004862063 /nfs/dbraw/zinc/86/20/63/1004862063.db2.gz QRNMZWPKPUYJCI-CYBMUJFWSA-N 1 3 308.430 0.247 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001407800815 1004870659 /nfs/dbraw/zinc/87/06/59/1004870659.db2.gz NCUYPQTTZUZHNL-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001408090282 1005032854 /nfs/dbraw/zinc/03/28/54/1005032854.db2.gz KWQOXJNRAVYFDM-UHFFFAOYSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001408097837 1005040179 /nfs/dbraw/zinc/04/01/79/1005040179.db2.gz KMFWULWPDDBXAN-ZBFHGGJFSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001415999097 1005645011 /nfs/dbraw/zinc/64/50/11/1005645011.db2.gz HLXFQJZHRLEUFW-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001415999097 1005645013 /nfs/dbraw/zinc/64/50/13/1005645013.db2.gz HLXFQJZHRLEUFW-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001416859956 1005748316 /nfs/dbraw/zinc/74/83/16/1005748316.db2.gz FZAHVZSKYHSXSN-HZSPNIEDSA-N 1 3 314.474 0.534 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001417190133 1005800450 /nfs/dbraw/zinc/80/04/50/1005800450.db2.gz FNILGCZXEZFEPT-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)NC2(CNC(=O)CCC[NH+](C)C)CC2)CCC1 ZINC001417191090 1005801150 /nfs/dbraw/zinc/80/11/50/1005801150.db2.gz KYXHSVJLMMDOQL-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001417771557 1005887462 /nfs/dbraw/zinc/88/74/62/1005887462.db2.gz YPRABGLRQVYQLH-SOUVJXGZSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCN1CCCC1=O ZINC001417825723 1005897645 /nfs/dbraw/zinc/89/76/45/1005897645.db2.gz VDUGIBHRYQBHJS-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CCCC1 ZINC001438614971 1005960950 /nfs/dbraw/zinc/96/09/50/1005960950.db2.gz WZUDUZANBZEFOQ-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001438634201 1005970460 /nfs/dbraw/zinc/97/04/60/1005970460.db2.gz INNDMQWVBFGQPI-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001438655692 1005995805 /nfs/dbraw/zinc/99/58/05/1005995805.db2.gz VUXVETFEEDUTAP-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCN(CC)C1=O ZINC001438705957 1006051476 /nfs/dbraw/zinc/05/14/76/1006051476.db2.gz MVVKKHHOAPYUFE-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001418111615 1006054457 /nfs/dbraw/zinc/05/44/57/1006054457.db2.gz USNVKTVPFZYEJP-YIYPIFLZSA-N 1 3 312.458 0.478 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001418114130 1006058706 /nfs/dbraw/zinc/05/87/06/1006058706.db2.gz QEONLEDVQTWXFR-MCIONIFRSA-N 1 3 312.458 0.478 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438715830 1006065717 /nfs/dbraw/zinc/06/57/17/1006065717.db2.gz RXJNBWDXBCQJMZ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438730766 1006079679 /nfs/dbraw/zinc/07/96/79/1006079679.db2.gz GIOVBAQCXCLPFR-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438730766 1006079692 /nfs/dbraw/zinc/07/96/92/1006079692.db2.gz GIOVBAQCXCLPFR-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001438732343 1006080789 /nfs/dbraw/zinc/08/07/89/1006080789.db2.gz GBXOHPCETSAZSJ-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001514719300 1017021207 /nfs/dbraw/zinc/02/12/07/1017021207.db2.gz CTXAIAUSGXYMBZ-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001418221935 1006195720 /nfs/dbraw/zinc/19/57/20/1006195720.db2.gz OPDWSLAHUOIGHI-ZBFHGGJFSA-N 1 3 321.469 0.930 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001436479374 1006207759 /nfs/dbraw/zinc/20/77/59/1006207759.db2.gz ALHFZHHKPOAZKE-QPSCCSFWSA-N 1 3 315.458 0.159 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]1C ZINC001436479374 1006207768 /nfs/dbraw/zinc/20/77/68/1006207768.db2.gz ALHFZHHKPOAZKE-QPSCCSFWSA-N 1 3 315.458 0.159 20 0 DCADHO CC[C@H](C(=O)NCCN1CC[NH+](CCC2CC2)CC1)N(C)C ZINC001436707596 1006281189 /nfs/dbraw/zinc/28/11/89/1006281189.db2.gz KFAUMYZZUFWPBM-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001436763047 1006330638 /nfs/dbraw/zinc/33/06/38/1006330638.db2.gz RDFUJRUCYRUURA-ZIAGYGMSSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001418318857 1006363135 /nfs/dbraw/zinc/36/31/35/1006363135.db2.gz QHXQKDHLZUIKEZ-CZUORRHYSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001436842759 1006415709 /nfs/dbraw/zinc/41/57/09/1006415709.db2.gz OMOMTTDOHQQYKY-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H]2CCNC2=O)CC[N@@H+]1C ZINC001439069078 1006431389 /nfs/dbraw/zinc/43/13/89/1006431389.db2.gz HJSWPZOUKYLJBL-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H]2CCNC2=O)CC[N@H+]1C ZINC001439069078 1006431394 /nfs/dbraw/zinc/43/13/94/1006431394.db2.gz HJSWPZOUKYLJBL-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001437022947 1006534906 /nfs/dbraw/zinc/53/49/06/1006534906.db2.gz QPEAJAXFHOTVQX-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001437147166 1006641686 /nfs/dbraw/zinc/64/16/86/1006641686.db2.gz PABYTEOFVQPTHV-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCn1cccn1 ZINC001437182298 1006679809 /nfs/dbraw/zinc/67/98/09/1006679809.db2.gz CUNKOJREBSWKQY-AWEZNQCLSA-N 1 3 307.442 0.852 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(C)(C)C ZINC001437203194 1006701920 /nfs/dbraw/zinc/70/19/20/1006701920.db2.gz QRYNHKLHTOBAMH-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001437204164 1006702419 /nfs/dbraw/zinc/70/24/19/1006702419.db2.gz SQYNPTZKGDTYSJ-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCCNC1=O ZINC001437259472 1006777455 /nfs/dbraw/zinc/77/74/55/1006777455.db2.gz PTWYMDDARAAYAK-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@H](C)CN1CCOCC1 ZINC001437265189 1006786321 /nfs/dbraw/zinc/78/63/21/1006786321.db2.gz YRCKWNHBRDHAJR-CHWSQXEVSA-N 1 3 324.425 0.546 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001452694105 1006991931 /nfs/dbraw/zinc/99/19/31/1006991931.db2.gz RDWGDXNCLVTJBG-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001452694105 1006991943 /nfs/dbraw/zinc/99/19/43/1006991943.db2.gz RDWGDXNCLVTJBG-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCCC2)C1 ZINC001439787905 1007199575 /nfs/dbraw/zinc/19/95/75/1007199575.db2.gz UIUUSECLDQVCMS-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCCC2)C1 ZINC001439787905 1007199584 /nfs/dbraw/zinc/19/95/84/1007199584.db2.gz UIUUSECLDQVCMS-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCc1cnn(C)c1 ZINC001437638654 1007202431 /nfs/dbraw/zinc/20/24/31/1007202431.db2.gz LMYQJAYDIAXQSW-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCc1cnn(C)c1 ZINC001437638654 1007202433 /nfs/dbraw/zinc/20/24/33/1007202433.db2.gz LMYQJAYDIAXQSW-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@]1(C)CCN(CCn2cncn2)C1 ZINC001439863707 1007266615 /nfs/dbraw/zinc/26/66/15/1007266615.db2.gz DIYUBPRAXPFQGG-MRXNPFEDSA-N 1 3 322.457 0.591 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(CCn2cncn2)C1 ZINC001439863707 1007266629 /nfs/dbraw/zinc/26/66/29/1007266629.db2.gz DIYUBPRAXPFQGG-MRXNPFEDSA-N 1 3 322.457 0.591 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437835248 1007446815 /nfs/dbraw/zinc/44/68/15/1007446815.db2.gz HETWOXSIZASIHG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437835248 1007446819 /nfs/dbraw/zinc/44/68/19/1007446819.db2.gz HETWOXSIZASIHG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001437838353 1007450368 /nfs/dbraw/zinc/45/03/68/1007450368.db2.gz UDGVACDDEUPNIK-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001437838353 1007450377 /nfs/dbraw/zinc/45/03/77/1007450377.db2.gz UDGVACDDEUPNIK-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)NCC2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001453416787 1007462204 /nfs/dbraw/zinc/46/22/04/1007462204.db2.gz ATTNSHBMRPSAQO-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001453416787 1007462209 /nfs/dbraw/zinc/46/22/09/1007462209.db2.gz ATTNSHBMRPSAQO-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437974254 1007547911 /nfs/dbraw/zinc/54/79/11/1007547911.db2.gz IPGNXLAWKYTTGU-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437974254 1007547922 /nfs/dbraw/zinc/54/79/22/1007547922.db2.gz IPGNXLAWKYTTGU-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NCC(=O)N(C)C)CCC1)[NH+](C)C ZINC001440336757 1007679433 /nfs/dbraw/zinc/67/94/33/1007679433.db2.gz AMDBPEDOKBAQCD-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COC)CC1 ZINC001440408172 1007736672 /nfs/dbraw/zinc/73/66/72/1007736672.db2.gz YIWMKXLVDKXBCR-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001440408172 1007736678 /nfs/dbraw/zinc/73/66/78/1007736678.db2.gz YIWMKXLVDKXBCR-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCn1cncn1 ZINC001438319606 1007815449 /nfs/dbraw/zinc/81/54/49/1007815449.db2.gz COJRCIYMUHKMHW-CQSZACIVSA-N 1 3 322.457 0.637 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001438339944 1007841471 /nfs/dbraw/zinc/84/14/71/1007841471.db2.gz STRYWAINGFZHAC-DZGCQCFKSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001438443886 1007911266 /nfs/dbraw/zinc/91/12/66/1007911266.db2.gz ZIXRCUSPLPLLPB-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001438597133 1008020908 /nfs/dbraw/zinc/02/09/08/1008020908.db2.gz NRHZZEDBWITCMH-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001438597133 1008020916 /nfs/dbraw/zinc/02/09/16/1008020916.db2.gz NRHZZEDBWITCMH-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C1CN(CCCO)C1)[NH+]1CCCC1 ZINC001441209190 1008271661 /nfs/dbraw/zinc/27/16/61/1008271661.db2.gz NSOUMZQPVQURBH-GDBMZVCRSA-N 1 3 311.470 0.926 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001441276052 1008302294 /nfs/dbraw/zinc/30/22/94/1008302294.db2.gz QPKUNGYHJOYETJ-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001441276052 1008302299 /nfs/dbraw/zinc/30/22/99/1008302299.db2.gz QPKUNGYHJOYETJ-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001441434509 1008353322 /nfs/dbraw/zinc/35/33/22/1008353322.db2.gz AVBAQPJTBAPNGF-QEJZJMRPSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001441597585 1008419685 /nfs/dbraw/zinc/41/96/85/1008419685.db2.gz SPSFBRVZLZUQHO-QWHCGFSZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](CO)NCc1ccccc1)[NH+](C)C ZINC001441759158 1008490904 /nfs/dbraw/zinc/49/09/04/1008490904.db2.gz KJOLFKWMSRKXCL-JKSUJKDBSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N(C)CC2CC2)CN1C(=O)CC[NH+](C)C ZINC001441840891 1008552530 /nfs/dbraw/zinc/55/25/30/1008552530.db2.gz QBFMFJRRSNDECK-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001453559092 1008580729 /nfs/dbraw/zinc/58/07/29/1008580729.db2.gz UMUSEVILTKJOAQ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001453559092 1008580734 /nfs/dbraw/zinc/58/07/34/1008580734.db2.gz UMUSEVILTKJOAQ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](N[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C)C(N)=O ZINC001441928608 1008670264 /nfs/dbraw/zinc/67/02/64/1008670264.db2.gz GQYJQTSLTACSOZ-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C)C(N)=O ZINC001441928608 1008670272 /nfs/dbraw/zinc/67/02/72/1008670272.db2.gz GQYJQTSLTACSOZ-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441935765 1008676679 /nfs/dbraw/zinc/67/66/79/1008676679.db2.gz OZGUJQAZCRSGNH-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441935765 1008676690 /nfs/dbraw/zinc/67/66/90/1008676690.db2.gz OZGUJQAZCRSGNH-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001453886387 1008781582 /nfs/dbraw/zinc/78/15/82/1008781582.db2.gz MJAWZLHJSNGNFX-YOEHRIQHSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CCCF)C2)CC[N@@H+]1C ZINC001421602243 1008783827 /nfs/dbraw/zinc/78/38/27/1008783827.db2.gz QBTLSGMPCVOKLD-FMKPAKJESA-N 1 3 315.433 0.629 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CCCF)C2)CC[N@H+]1C ZINC001421602243 1008783836 /nfs/dbraw/zinc/78/38/36/1008783836.db2.gz QBTLSGMPCVOKLD-FMKPAKJESA-N 1 3 315.433 0.629 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cncc(F)c1 ZINC001442005453 1008792165 /nfs/dbraw/zinc/79/21/65/1008792165.db2.gz FKIVOUQUZUDOLS-GFCCVEGCSA-N 1 3 306.385 0.911 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001442062009 1008914318 /nfs/dbraw/zinc/91/43/18/1008914318.db2.gz IYEYRQKFAAJEKF-GDBMZVCRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(=O)[C@@](C)(O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC001421693657 1008946869 /nfs/dbraw/zinc/94/68/69/1008946869.db2.gz SNMDVYQWLFEXHQ-KRWDZBQOSA-N 1 3 311.470 0.676 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001442176922 1009056498 /nfs/dbraw/zinc/05/64/98/1009056498.db2.gz KBCRPQRMJMSUEG-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(C3CC[NH+](CCO)CC3)CC2)C1 ZINC001442280553 1009154073 /nfs/dbraw/zinc/15/40/73/1009154073.db2.gz SFRPFXAGEMUTCX-AWEZNQCLSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@H](CN[C@H]1CCN(C2CCC2)C1=O)N(C)C(=O)CC[NH+](C)C ZINC001421924105 1009268142 /nfs/dbraw/zinc/26/81/42/1009268142.db2.gz CDFRXNPWHHUZNZ-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001421966041 1009332014 /nfs/dbraw/zinc/33/20/14/1009332014.db2.gz YPBNVCHGXFLYQA-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001434090733 1009548510 /nfs/dbraw/zinc/54/85/10/1009548510.db2.gz HPTHNSZFGFGNTK-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CN(C)C2CCC2)CC[N@@H+]1C ZINC001455262723 1009621065 /nfs/dbraw/zinc/62/10/65/1009621065.db2.gz YURUBCBYBYINMG-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CN(C)C2CCC2)CC[N@H+]1C ZINC001455262723 1009621072 /nfs/dbraw/zinc/62/10/72/1009621072.db2.gz YURUBCBYBYINMG-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001455377103 1009693301 /nfs/dbraw/zinc/69/33/01/1009693301.db2.gz IVHBZZUAGIKIKG-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001422332280 1009896378 /nfs/dbraw/zinc/89/63/78/1009896378.db2.gz VITJUSKXMAIPNC-NEPJUHHUSA-N 1 3 310.442 0.232 20 0 DCADHO CCNS(=O)(=O)[C@@H]1CCN(CC2CC[NH+](CC)CC2)C1 ZINC001434525307 1010056504 /nfs/dbraw/zinc/05/65/04/1010056504.db2.gz NVBCBQOKNHKPJB-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422466181 1010125681 /nfs/dbraw/zinc/12/56/81/1010125681.db2.gz WWLDFZPNDMYSBY-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422466181 1010125691 /nfs/dbraw/zinc/12/56/91/1010125691.db2.gz WWLDFZPNDMYSBY-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001422549533 1010280292 /nfs/dbraw/zinc/28/02/92/1010280292.db2.gz KIBTWOOTEUCARD-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001422607849 1010397617 /nfs/dbraw/zinc/39/76/17/1010397617.db2.gz RGOSSSJOFWMDHC-KBPBESRZSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001422607849 1010397623 /nfs/dbraw/zinc/39/76/23/1010397623.db2.gz RGOSSSJOFWMDHC-KBPBESRZSA-N 1 3 322.457 0.542 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001422694864 1010494114 /nfs/dbraw/zinc/49/41/14/1010494114.db2.gz FUKPPJFYXBNRPL-CFVMTHIKSA-N 1 3 324.469 0.574 20 0 DCADHO CCCC[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001422692613 1010495017 /nfs/dbraw/zinc/49/50/17/1010495017.db2.gz YLMJVTGLFBIHNM-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCCCN1CCn1cncn1 ZINC001422703227 1010503477 /nfs/dbraw/zinc/50/34/77/1010503477.db2.gz QHRVZHRBOJMFNW-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001508901107 1017095709 /nfs/dbraw/zinc/09/57/09/1017095709.db2.gz DTRYYEGHAIHMMA-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001508901107 1017095716 /nfs/dbraw/zinc/09/57/16/1017095716.db2.gz DTRYYEGHAIHMMA-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C[C@@H](O)COC)CC1(C)C ZINC001422811548 1010635098 /nfs/dbraw/zinc/63/50/98/1010635098.db2.gz VBSITSAWGFGMKY-KGLIPLIRSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C[C@@H](O)COC)CC1(C)C ZINC001422811548 1010635103 /nfs/dbraw/zinc/63/51/03/1010635103.db2.gz VBSITSAWGFGMKY-KGLIPLIRSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001443995281 1010794261 /nfs/dbraw/zinc/79/42/61/1010794261.db2.gz JROKIDKLSXLJOX-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001444360042 1010977914 /nfs/dbraw/zinc/97/79/14/1010977914.db2.gz YPXODKXSPVYPTI-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001423214987 1010985749 /nfs/dbraw/zinc/98/57/49/1010985749.db2.gz HAKLOSMQKVCKQP-KBPBESRZSA-N 1 3 315.458 0.353 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001444438421 1011018125 /nfs/dbraw/zinc/01/81/25/1011018125.db2.gz KSLURWHAGXIHBT-ZDUSSCGKSA-N 1 3 320.437 0.450 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001423321254 1011074108 /nfs/dbraw/zinc/07/41/08/1011074108.db2.gz LPNMTYCSYSQNFJ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001423340364 1011088685 /nfs/dbraw/zinc/08/86/85/1011088685.db2.gz JSKQJWVAGUKEDN-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444626472 1011102366 /nfs/dbraw/zinc/10/23/66/1011102366.db2.gz JQHGFHLAVYTYTG-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444626168 1011102570 /nfs/dbraw/zinc/10/25/70/1011102570.db2.gz IOMMFZCKTZUWBU-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)n[nH]1 ZINC001423404885 1011127706 /nfs/dbraw/zinc/12/77/06/1011127706.db2.gz SBPDTKPHTYSQAI-CYBMUJFWSA-N 1 3 322.457 0.782 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC(=O)N(C)C)CC1 ZINC001423473438 1011173573 /nfs/dbraw/zinc/17/35/73/1011173573.db2.gz FDCSMTWNKXCPJI-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001423478399 1011177369 /nfs/dbraw/zinc/17/73/69/1011177369.db2.gz QEZMSUPCSZMRPV-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423487727 1011182362 /nfs/dbraw/zinc/18/23/62/1011182362.db2.gz URZYBDWBGVVCKI-GJZGRUSLSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423487727 1011182366 /nfs/dbraw/zinc/18/23/66/1011182366.db2.gz URZYBDWBGVVCKI-GJZGRUSLSA-N 1 3 320.437 0.251 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001533573442 1011450988 /nfs/dbraw/zinc/45/09/88/1011450988.db2.gz RWHUEZCFQBOTNZ-BEWKBBBFSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001533573442 1011450992 /nfs/dbraw/zinc/45/09/92/1011450992.db2.gz RWHUEZCFQBOTNZ-BEWKBBBFSA-N 1 3 324.469 0.457 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423930669 1011745477 /nfs/dbraw/zinc/74/54/77/1011745477.db2.gz UTJKWABHGZZTLT-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001445479068 1011809171 /nfs/dbraw/zinc/80/91/71/1011809171.db2.gz AUUFEWYLASNOHV-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnc([C@H]2CCCN2)nc1 ZINC001553351974 1011910196 /nfs/dbraw/zinc/91/01/96/1011910196.db2.gz LIGXJWYRCPPMND-QNMSZWNNSA-N 1 3 301.394 0.914 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445571436 1011941601 /nfs/dbraw/zinc/94/16/01/1011941601.db2.gz KLNUIWOGMKHOTG-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445571436 1011941618 /nfs/dbraw/zinc/94/16/18/1011941618.db2.gz KLNUIWOGMKHOTG-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001432077187 1011941983 /nfs/dbraw/zinc/94/19/83/1011941983.db2.gz JDUQCQHRXSSVLL-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001432077187 1011941987 /nfs/dbraw/zinc/94/19/87/1011941987.db2.gz JDUQCQHRXSSVLL-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC12CCC2 ZINC001553444214 1011980286 /nfs/dbraw/zinc/98/02/86/1011980286.db2.gz KEQMVPDDHYKEGG-MGPQQGTHSA-N 1 3 308.426 0.372 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001553451601 1011988352 /nfs/dbraw/zinc/98/83/52/1011988352.db2.gz UDAWLFOYBXADGG-LZWOXQAQSA-N 1 3 310.442 0.539 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001424178610 1012134569 /nfs/dbraw/zinc/13/45/69/1012134569.db2.gz WTAKVFRVNZQILE-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001424178610 1012134579 /nfs/dbraw/zinc/13/45/79/1012134579.db2.gz WTAKVFRVNZQILE-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001424218886 1012185509 /nfs/dbraw/zinc/18/55/09/1012185509.db2.gz VPXHTNJSDQRWPX-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001432269659 1012232351 /nfs/dbraw/zinc/23/23/51/1012232351.db2.gz OVEVJKVWAUWYFW-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001536903304 1012269274 /nfs/dbraw/zinc/26/92/74/1012269274.db2.gz LQHJHHSNKZURRV-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CCn1cc(CCN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001445871410 1012380722 /nfs/dbraw/zinc/38/07/22/1012380722.db2.gz POSKYNWWNMLYNM-ZBFHGGJFSA-N 1 3 321.469 0.834 20 0 DCADHO CCn1cc(CCN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001445871410 1012380737 /nfs/dbraw/zinc/38/07/37/1012380737.db2.gz POSKYNWWNMLYNM-ZBFHGGJFSA-N 1 3 321.469 0.834 20 0 DCADHO Cn1cc(CNC[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001445889584 1012398581 /nfs/dbraw/zinc/39/85/81/1012398581.db2.gz DOCOMVUKIPOTBE-UKRRQHHQSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001459035508 1012536145 /nfs/dbraw/zinc/53/61/45/1012536145.db2.gz OQYMEHNVDJGYJI-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001459035508 1012536137 /nfs/dbraw/zinc/53/61/37/1012536137.db2.gz OQYMEHNVDJGYJI-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCc1n[nH]c(C2CC2)n1 ZINC001424481996 1012560904 /nfs/dbraw/zinc/56/09/04/1012560904.db2.gz LKZJCEWDGXTYSC-YPMHNXCESA-N 1 3 320.441 0.570 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCc1n[nH]c(C2CC2)n1 ZINC001424481990 1012561327 /nfs/dbraw/zinc/56/13/27/1012561327.db2.gz LKZJCEWDGXTYSC-AAEUAGOBSA-N 1 3 320.441 0.570 20 0 DCADHO C[C@H](C(=O)N1NC(=O)C[C@]12CC[NH2+]C2)[C@H](N)c1ccccc1 ZINC001548578255 1012755561 /nfs/dbraw/zinc/75/55/61/1012755561.db2.gz UJKZHLFFKOTMMI-PJODQICGSA-N 1 3 302.378 0.318 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001432922707 1013005021 /nfs/dbraw/zinc/00/50/21/1013005021.db2.gz DMIGYQUDGZYQDI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001479416403 1017550018 /nfs/dbraw/zinc/55/00/18/1017550018.db2.gz HOBIFVWVZCFNHX-BIQWYFBQSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCOC3)C2)CCC1 ZINC001506886887 1017642876 /nfs/dbraw/zinc/64/28/76/1017642876.db2.gz UMLAFHUNZQRPLT-KKUMJFAQSA-N 1 3 309.454 0.992 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001506962257 1017709597 /nfs/dbraw/zinc/70/95/97/1017709597.db2.gz WOMIZVUFPZVZQV-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCC1C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001494632292 1017888388 /nfs/dbraw/zinc/88/83/88/1017888388.db2.gz HSFAUCSVUWSZPR-WBVHZDCISA-N 1 3 309.454 0.801 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN(C2CC2)[C@@H]2CCCNC2=O)C1 ZINC001479879790 1017926444 /nfs/dbraw/zinc/92/64/44/1017926444.db2.gz IXBFTVWMNRSCLM-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCCN(C2CC2)[C@@H]2CCCNC2=O)C1 ZINC001479879790 1017926458 /nfs/dbraw/zinc/92/64/58/1017926458.db2.gz IXBFTVWMNRSCLM-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497187598 1017953077 /nfs/dbraw/zinc/95/30/77/1017953077.db2.gz DELXYWUQVSSUNC-HIFRSBDPSA-N 1 3 319.453 0.746 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001499901472 1018125748 /nfs/dbraw/zinc/12/57/48/1018125748.db2.gz TVDIPNSKDJXLJW-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480078409 1018188531 /nfs/dbraw/zinc/18/85/31/1018188531.db2.gz LBJXDMOIVKKBKL-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480078409 1018188536 /nfs/dbraw/zinc/18/85/36/1018188536.db2.gz LBJXDMOIVKKBKL-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001500087500 1018212035 /nfs/dbraw/zinc/21/20/35/1018212035.db2.gz AXEMFKXZTSRAAD-RRFJBIMHSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001500087500 1018212046 /nfs/dbraw/zinc/21/20/46/1018212046.db2.gz AXEMFKXZTSRAAD-RRFJBIMHSA-N 1 3 324.469 0.467 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001480164820 1018274421 /nfs/dbraw/zinc/27/44/21/1018274421.db2.gz XFFOFXXCVGRRKK-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(C)ncn2)C1 ZINC001480164820 1018274425 /nfs/dbraw/zinc/27/44/25/1018274425.db2.gz XFFOFXXCVGRRKK-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cncn1C ZINC001495057011 1018275261 /nfs/dbraw/zinc/27/52/61/1018275261.db2.gz CEBZUBPIDHARAW-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001495110457 1018321323 /nfs/dbraw/zinc/32/13/23/1018321323.db2.gz XPGVKXVCBYYJBG-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(CCc2ccnn2C)C1 ZINC001500273609 1018367993 /nfs/dbraw/zinc/36/79/93/1018367993.db2.gz DSVZPWISMDTQQG-QGZVFWFLSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(CCc2ccnn2C)C1 ZINC001500273609 1018368003 /nfs/dbraw/zinc/36/80/03/1018368003.db2.gz DSVZPWISMDTQQG-QGZVFWFLSA-N 1 3 321.469 0.885 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480307715 1018414630 /nfs/dbraw/zinc/41/46/30/1018414630.db2.gz VNAQIRFEVHBELO-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCF)CCOCC2)CCC1 ZINC001500572249 1018497322 /nfs/dbraw/zinc/49/73/22/1018497322.db2.gz KATMQYMOQGCIRR-UHFFFAOYSA-N 1 3 301.406 0.695 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495534821 1018563440 /nfs/dbraw/zinc/56/34/40/1018563440.db2.gz GALDWWFMCUHDLE-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001495534821 1018563448 /nfs/dbraw/zinc/56/34/48/1018563448.db2.gz GALDWWFMCUHDLE-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001500677719 1018568097 /nfs/dbraw/zinc/56/80/97/1018568097.db2.gz PNBVFQQEWAHZIG-DOTOQJQBSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001500677719 1018568105 /nfs/dbraw/zinc/56/81/05/1018568105.db2.gz PNBVFQQEWAHZIG-DOTOQJQBSA-N 1 3 309.454 0.822 20 0 DCADHO CCc1nc([C@H](C)NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001498096937 1018649652 /nfs/dbraw/zinc/64/96/52/1018649652.db2.gz TYLCSGMFQUSIDK-RYUDHWBXSA-N 1 3 322.457 0.864 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001480676211 1018764895 /nfs/dbraw/zinc/76/48/95/1018764895.db2.gz LGXVIGJPYNVPEV-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001480683018 1018773956 /nfs/dbraw/zinc/77/39/56/1018773956.db2.gz JRKOZJPWTHHUDL-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496063070 1019028795 /nfs/dbraw/zinc/02/87/95/1019028795.db2.gz YHNGATCPXBZGQM-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCc1cccc(C(N)=O)c1)N(C)C(=O)CC[NH+](C)C ZINC001496151769 1019117171 /nfs/dbraw/zinc/11/71/71/1019117171.db2.gz WUVWFZAQOYARER-ZDUSSCGKSA-N 1 3 320.437 0.674 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)C1CC[NH+](C)CC1 ZINC001498605969 1019262216 /nfs/dbraw/zinc/26/22/16/1019262216.db2.gz FQABQXGSESIYBT-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001501547873 1019284207 /nfs/dbraw/zinc/28/42/07/1019284207.db2.gz MBZKRNOCEFOFJC-GJZGRUSLSA-N 1 3 320.441 0.201 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001501547875 1019285087 /nfs/dbraw/zinc/28/50/87/1019285087.db2.gz MBZKRNOCEFOFJC-LSDHHAIUSA-N 1 3 320.441 0.201 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001493632999 1019581580 /nfs/dbraw/zinc/58/15/80/1019581580.db2.gz LXIBYAMWUAJJBY-AWEZNQCLSA-N 1 3 321.425 0.223 20 0 DCADHO CN(CCNC/C=C\Cl)C(=O)COC1CC[NH+](C)CC1 ZINC001493749266 1019679607 /nfs/dbraw/zinc/67/96/07/1019679607.db2.gz AJYZCKQDMKAJHD-UTCJRWHESA-N 1 3 303.834 0.898 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419762587 283165812 /nfs/dbraw/zinc/16/58/12/283165812.db2.gz METJVBKERXWRMV-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CSC[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000566108814 291270408 /nfs/dbraw/zinc/27/04/08/291270408.db2.gz FKTNQGKCYDIBKU-MRXNPFEDSA-N 1 3 324.494 0.907 20 0 DCADHO COCCN(C)CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566157991 291274827 /nfs/dbraw/zinc/27/48/27/291274827.db2.gz ZELZSQKVFPGRFN-AWEZNQCLSA-N 1 3 309.414 0.116 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000566176193 291277428 /nfs/dbraw/zinc/27/74/28/291277428.db2.gz IMPISOQYCLLAHO-UHFFFAOYSA-N 1 3 311.426 0.507 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566288673 291291257 /nfs/dbraw/zinc/29/12/57/291291257.db2.gz LFHXTBGFSWURFZ-KGLIPLIRSA-N 1 3 320.441 0.444 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000422103138 240128340 /nfs/dbraw/zinc/12/83/40/240128340.db2.gz HBGFYLNOABVLCY-WMLDXEAASA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000422103138 240128346 /nfs/dbraw/zinc/12/83/46/240128346.db2.gz HBGFYLNOABVLCY-WMLDXEAASA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000566974545 291331572 /nfs/dbraw/zinc/33/15/72/291331572.db2.gz ZPBIRTCKPKXDNE-OLZOCXBDSA-N 1 3 320.437 0.606 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422689299 240177154 /nfs/dbraw/zinc/17/71/54/240177154.db2.gz FCCAAQZTZQTGOC-LSDHHAIUSA-N 1 3 304.442 0.316 20 0 DCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000422689299 240177156 /nfs/dbraw/zinc/17/71/56/240177156.db2.gz FCCAAQZTZQTGOC-LSDHHAIUSA-N 1 3 304.442 0.316 20 0 DCADHO N[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424081561 240253689 /nfs/dbraw/zinc/25/36/89/240253689.db2.gz VJWKZCIPXDBZEX-UONOGXRCSA-N 1 3 314.393 0.632 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000430784511 240405072 /nfs/dbraw/zinc/40/50/72/240405072.db2.gz HMBONTHDMZIDNL-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000567416359 291354627 /nfs/dbraw/zinc/35/46/27/291354627.db2.gz QYAORGLRXKTLFL-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000567416359 291354628 /nfs/dbraw/zinc/35/46/28/291354628.db2.gz QYAORGLRXKTLFL-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO N[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000567586724 291362891 /nfs/dbraw/zinc/36/28/91/291362891.db2.gz BPBHLATWVDGJPV-KGLIPLIRSA-N 1 3 314.393 0.460 20 0 DCADHO CN(C)CCN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CC1 ZINC000567825107 291381491 /nfs/dbraw/zinc/38/14/91/291381491.db2.gz VKFYUJWDOQBOOB-UHFFFAOYSA-N 1 3 306.414 0.369 20 0 DCADHO CC1CCN(CCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000569218113 291467041 /nfs/dbraw/zinc/46/70/41/291467041.db2.gz YYDODKNRHFSQBB-UHFFFAOYSA-N 1 3 308.430 0.479 20 0 DCADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000574868561 291720658 /nfs/dbraw/zinc/72/06/58/291720658.db2.gz BLCRRBAZKDKQHQ-LBPRGKRZSA-N 1 3 304.394 0.573 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339753158 253138198 /nfs/dbraw/zinc/13/81/98/253138198.db2.gz JMQIUUWPCUMVAK-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340499807 253268160 /nfs/dbraw/zinc/26/81/60/253268160.db2.gz ODLWSCQZMSYGFD-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340499807 253268161 /nfs/dbraw/zinc/26/81/61/253268161.db2.gz ODLWSCQZMSYGFD-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[NH+](C2CCN(CCN3CCNC3=O)CC2)CC1 ZINC000343701410 253687633 /nfs/dbraw/zinc/68/76/33/253687633.db2.gz ZRIUXVCAPDPCPF-UHFFFAOYSA-N 1 3 323.485 0.502 20 0 DCADHO CN(C)CCN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000563096829 288629316 /nfs/dbraw/zinc/62/93/16/288629316.db2.gz KYNZCNOOEDDFCZ-GFCCVEGCSA-N 1 3 306.414 0.196 20 0 DCADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(CCOC)C1)C(C)C ZINC000347029070 254123013 /nfs/dbraw/zinc/12/30/13/254123013.db2.gz JVXLMVRTTQXFTA-CQSZACIVSA-N 1 3 300.447 0.737 20 0 DCADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(CCOC)C1)C(C)C ZINC000347029070 254123015 /nfs/dbraw/zinc/12/30/15/254123015.db2.gz JVXLMVRTTQXFTA-CQSZACIVSA-N 1 3 300.447 0.737 20 0 DCADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000346715306 254088636 /nfs/dbraw/zinc/08/86/36/254088636.db2.gz TZDDGXSQAQFTRQ-WBVHZDCISA-N 1 3 309.454 0.920 20 0 DCADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000346715306 254088638 /nfs/dbraw/zinc/08/86/38/254088638.db2.gz TZDDGXSQAQFTRQ-WBVHZDCISA-N 1 3 309.454 0.920 20 0 DCADHO CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000347587842 254170206 /nfs/dbraw/zinc/17/02/06/254170206.db2.gz HPZXTYKBOWACPK-AWEZNQCLSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000347587842 254170207 /nfs/dbraw/zinc/17/02/07/254170207.db2.gz HPZXTYKBOWACPK-AWEZNQCLSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)C[N@H+](C)C(C)C ZINC000347587842 254170208 /nfs/dbraw/zinc/17/02/08/254170208.db2.gz HPZXTYKBOWACPK-AWEZNQCLSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC000347587842 254170209 /nfs/dbraw/zinc/17/02/09/254170209.db2.gz HPZXTYKBOWACPK-AWEZNQCLSA-N 1 3 314.474 0.678 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000347721757 254182398 /nfs/dbraw/zinc/18/23/98/254182398.db2.gz KBZXXFQOIKSYIA-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CN(C)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351563503 254347402 /nfs/dbraw/zinc/34/74/02/254347402.db2.gz KXYZCLWRYNYJPN-CABCVRRESA-N 1 3 318.421 0.274 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(=O)N1 ZINC000337853927 285280672 /nfs/dbraw/zinc/28/06/72/285280672.db2.gz KNBRPMYJZODQCF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(=O)N1 ZINC000337853927 285280673 /nfs/dbraw/zinc/28/06/73/285280673.db2.gz KNBRPMYJZODQCF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000283717893 131016242 /nfs/dbraw/zinc/01/62/42/131016242.db2.gz KKAWKKJWSFBAQZ-ZDUSSCGKSA-N 1 3 310.442 0.211 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000048773936 395822948 /nfs/dbraw/zinc/82/29/48/395822948.db2.gz DEPUYPYLCZVPPC-UHFFFAOYSA-N 1 3 318.421 0.897 20 0 DCADHO COc1ncccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153395272 396023814 /nfs/dbraw/zinc/02/38/14/396023814.db2.gz SKJAWIRNNBSNLM-UHFFFAOYSA-N 1 3 323.441 0.725 20 0 DCADHO Cc1nn(C)cc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261636122 396051218 /nfs/dbraw/zinc/05/12/18/396051218.db2.gz DKEJQGQLTJKNAV-GOEBONIOSA-N 1 3 319.453 0.809 20 0 DCADHO COc1ccc(OC)c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261810714 396068228 /nfs/dbraw/zinc/06/82/28/396068228.db2.gz VSXWPKBUIJBUGU-ZDUSSCGKSA-N 1 3 321.421 0.991 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCOCC(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000262075740 396096223 /nfs/dbraw/zinc/09/62/23/396096223.db2.gz DFNNRVRYABGCMX-STQMWFEESA-N 1 3 319.396 0.848 20 0 DCADHO COC(=O)C(C)(C)CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262101674 396099196 /nfs/dbraw/zinc/09/91/96/396099196.db2.gz VOUZMJJGQBMUGE-CYBMUJFWSA-N 1 3 313.442 0.895 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CCO1 ZINC000262707487 396174265 /nfs/dbraw/zinc/17/42/65/396174265.db2.gz DOPKSFHZMCNFGE-ZIAGYGMSSA-N 1 3 321.425 0.210 20 0 DCADHO CCC[C@@](C)([NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000262717637 396176018 /nfs/dbraw/zinc/17/60/18/396176018.db2.gz WJOSXNGOCWABNE-MRXNPFEDSA-N 1 3 313.442 0.895 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000263116119 396201897 /nfs/dbraw/zinc/20/18/97/396201897.db2.gz FWZFAGBGSRWSEM-ZFWWWQNUSA-N 1 3 312.458 0.323 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C/C[NH+](C)C ZINC000265683452 396336912 /nfs/dbraw/zinc/33/69/12/396336912.db2.gz WMPJWUYPXYVDQP-MRZGDXHCSA-N 1 3 310.442 0.163 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000580773535 396498595 /nfs/dbraw/zinc/49/85/95/396498595.db2.gz OINCZUVVDRHNED-XHSDSOJGSA-N 1 3 319.453 0.936 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000372047042 396484602 /nfs/dbraw/zinc/48/46/02/396484602.db2.gz VSYPHJUOEKBDOE-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000372047042 396484605 /nfs/dbraw/zinc/48/46/05/396484605.db2.gz VSYPHJUOEKBDOE-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000580172559 396491563 /nfs/dbraw/zinc/49/15/63/396491563.db2.gz DZAONTRVZKWHIW-CQSZACIVSA-N 1 3 311.474 0.393 20 0 DCADHO COC[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000581809682 396583665 /nfs/dbraw/zinc/58/36/65/396583665.db2.gz QECUCCPJGHHYOM-KRWDZBQOSA-N 1 3 308.422 0.740 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000372475870 396520531 /nfs/dbraw/zinc/52/05/31/396520531.db2.gz ZEPXULZEOOAENS-KKUMJFAQSA-N 1 3 310.442 0.443 20 0 DCADHO CN1CCN(CC2(C)CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000584849979 396630721 /nfs/dbraw/zinc/63/07/21/396630721.db2.gz QDVNGXBGDXHMHO-HNNXBMFYSA-N 1 3 323.485 0.407 20 0 DCADHO CCN1CCN(CCCCNC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000563091752 396701775 /nfs/dbraw/zinc/70/17/75/396701775.db2.gz DSVSWBWRKUCMDB-LSDHHAIUSA-N 1 3 313.490 0.829 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563206540 396714117 /nfs/dbraw/zinc/71/41/17/396714117.db2.gz LAUSMXPCZFOQIY-AWEZNQCLSA-N 1 3 320.441 0.444 20 0 DCADHO O[C@H]1CCN(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000629556510 396784055 /nfs/dbraw/zinc/78/40/55/396784055.db2.gz RETMQVMDRCWVOF-YXJHDRRASA-N 1 3 317.433 0.899 20 0 DCADHO CC(C)OCCN1CCC([NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629566092 396789526 /nfs/dbraw/zinc/78/95/26/396789526.db2.gz SHBZCZBWCJOKTB-QGZVFWFLSA-N 1 3 313.486 0.922 20 0 DCADHO COC[C@@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[NH2+]C1 ZINC000564430842 396832651 /nfs/dbraw/zinc/83/26/51/396832651.db2.gz LBQZUTIHWRSLCG-ZMSDIMECSA-N 1 3 303.406 0.566 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000317785979 396805133 /nfs/dbraw/zinc/80/51/33/396805133.db2.gz SIQAFSDRENSJOP-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000317785981 396805663 /nfs/dbraw/zinc/80/56/63/396805663.db2.gz SIQAFSDRENSJOP-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CCN([C@H]2CCN(C[C@H](O)C[N@H+](C)C(C)C)C2)CC1 ZINC000590603584 396813105 /nfs/dbraw/zinc/81/31/05/396813105.db2.gz XLSWRFWJFQATAY-DLBZAZTESA-N 1 3 312.502 0.399 20 0 DCADHO CCN1CCN([C@H]2CCN(C[C@H](O)C[N@@H+](C)C(C)C)C2)CC1 ZINC000590603584 396813116 /nfs/dbraw/zinc/81/31/16/396813116.db2.gz XLSWRFWJFQATAY-DLBZAZTESA-N 1 3 312.502 0.399 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000564825158 396874600 /nfs/dbraw/zinc/87/46/00/396874600.db2.gz RXUUDTWSXZIRIE-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CCCC[N@H+](C)CCNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000564854169 396882294 /nfs/dbraw/zinc/88/22/94/396882294.db2.gz JVWZJDWFJJSGNS-OAGGEKHMSA-N 1 3 301.475 0.778 20 0 DCADHO CCCC[N@@H+](C)CCNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000564854169 396882299 /nfs/dbraw/zinc/88/22/99/396882299.db2.gz JVWZJDWFJJSGNS-OAGGEKHMSA-N 1 3 301.475 0.778 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333792674 396932616 /nfs/dbraw/zinc/93/26/16/396932616.db2.gz GKVFLMGAHRFARD-GOEBONIOSA-N 1 3 324.469 0.738 20 0 DCADHO CN(CCOCC[NH3+])CCC(=O)NC(=O)Nc1ccccc1 ZINC000600737558 396933683 /nfs/dbraw/zinc/93/36/83/396933683.db2.gz WDDRAZIAJSOYEK-UHFFFAOYSA-N 1 3 308.382 0.632 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@H](C)[NH3+] ZINC000571881205 396997700 /nfs/dbraw/zinc/99/77/00/396997700.db2.gz WDMCVPGRABVOAJ-YUTCNCBUSA-N 1 3 308.430 0.520 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CCC[NH2+]1 ZINC000572104009 397020462 /nfs/dbraw/zinc/02/04/62/397020462.db2.gz FNYVIXOJVYNSNH-SQWLQELKSA-N 1 3 310.442 0.491 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000612544279 397086929 /nfs/dbraw/zinc/08/69/29/397086929.db2.gz YEGXGODDLRQBMR-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000630714840 397088025 /nfs/dbraw/zinc/08/80/25/397088025.db2.gz BBDHRYNONHLTPZ-AAVRWANBSA-N 1 3 312.458 0.145 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000612546979 397089908 /nfs/dbraw/zinc/08/99/08/397089908.db2.gz XPKAOXROBMJGRF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000612546979 397089911 /nfs/dbraw/zinc/08/99/11/397089911.db2.gz XPKAOXROBMJGRF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000572749620 397090838 /nfs/dbraw/zinc/09/08/38/397090838.db2.gz ZFYVWYWYHJIROX-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CCCNC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492918 397193324 /nfs/dbraw/zinc/19/33/24/397193324.db2.gz HPHYEJBSTDVTTC-UONOGXRCSA-N 1 3 310.442 0.934 20 0 DCADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CCN3CCOCC3)C2)CCN1C ZINC000378170450 397204195 /nfs/dbraw/zinc/20/41/95/397204195.db2.gz SDTVOKUFFWJXEX-ZACQAIPSSA-N 1 3 310.486 0.465 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000592775801 397247129 /nfs/dbraw/zinc/24/71/29/397247129.db2.gz GLRNBWQZTVMVSC-BRWVUGGUSA-N 1 3 322.497 0.954 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000592775801 397247131 /nfs/dbraw/zinc/24/71/31/397247131.db2.gz GLRNBWQZTVMVSC-BRWVUGGUSA-N 1 3 322.497 0.954 20 0 DCADHO COCC1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CC[NH2+]CC1 ZINC000574765518 397299103 /nfs/dbraw/zinc/29/91/03/397299103.db2.gz NORKWYAQBGGJEH-ZDUSSCGKSA-N 1 3 310.442 0.539 20 0 DCADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCN4CCC[C@H]4C3)c21 ZINC000592959612 397304482 /nfs/dbraw/zinc/30/44/82/397304482.db2.gz NIVWKDIRXKQVOX-OLZOCXBDSA-N 1 3 303.410 0.639 20 0 DCADHO CCn1ncnc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365837538 397322731 /nfs/dbraw/zinc/32/27/31/397322731.db2.gz LSAJFZWEFZMZAZ-OAHLLOKOSA-N 1 3 306.458 0.898 20 0 DCADHO COCCNCC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000430798364 397410583 /nfs/dbraw/zinc/41/05/83/397410583.db2.gz TXKDGRIUNGOHSG-UHFFFAOYSA-N 1 3 305.422 0.438 20 0 DCADHO CCCN(CC)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602483842 397417631 /nfs/dbraw/zinc/41/76/31/397417631.db2.gz JAWVBIJJOJQODW-HXUWFJFHSA-N 1 3 303.472 0.335 20 0 DCADHO C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CN(C)C ZINC000496126003 397575889 /nfs/dbraw/zinc/57/58/89/397575889.db2.gz SDMNODUZVJHRHB-NSHDSACASA-N 1 3 301.435 0.823 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000579850296 397595778 /nfs/dbraw/zinc/59/57/78/397595778.db2.gz TUVCUXMYUBTQAM-WCXIOVBPSA-N 1 3 313.486 0.588 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000579850296 397595780 /nfs/dbraw/zinc/59/57/80/397595780.db2.gz TUVCUXMYUBTQAM-WCXIOVBPSA-N 1 3 313.486 0.588 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCOC1 ZINC000607244684 397699893 /nfs/dbraw/zinc/69/98/93/397699893.db2.gz VGERCSVEEJCVSF-OAHLLOKOSA-N 1 3 300.447 0.548 20 0 DCADHO COCC1(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[NH2+]CC1 ZINC000333735157 292240763 /nfs/dbraw/zinc/24/07/63/292240763.db2.gz WUSBTFUNDWVVOU-UONOGXRCSA-N 1 3 310.442 0.348 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000126536446 158266544 /nfs/dbraw/zinc/26/65/44/158266544.db2.gz VIPHPQNBLSRNEN-IIAWOOMASA-N 1 3 300.443 0.815 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129572009 158290196 /nfs/dbraw/zinc/29/01/96/158290196.db2.gz DFHDAWBWRXGBQK-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO CC[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]1 ZINC000134594149 158328252 /nfs/dbraw/zinc/32/82/52/158328252.db2.gz AIBCYOARAWCPGC-KRWDZBQOSA-N 1 3 322.453 0.285 20 0 DCADHO COC(=O)CCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000316906094 159003679 /nfs/dbraw/zinc/00/36/79/159003679.db2.gz ZNCVZTSNZDPMDR-UONOGXRCSA-N 1 3 311.426 0.520 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)C[NH2+]C)CC1=O ZINC000252656514 287120820 /nfs/dbraw/zinc/12/08/20/287120820.db2.gz HQJSMBLLXKISRP-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355266493 287178906 /nfs/dbraw/zinc/17/89/06/287178906.db2.gz BVHQMAMLRPNHBH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)CCN(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356115423 287195182 /nfs/dbraw/zinc/19/51/82/287195182.db2.gz SZSYKEVTXNENQR-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[N@@H+]1C1CC1 ZINC000363953052 287221060 /nfs/dbraw/zinc/22/10/60/287221060.db2.gz OBDJWUXOLFWZJI-CLWVCHIJSA-N 1 3 322.453 0.774 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[N@H+]1C1CC1 ZINC000363953052 287221064 /nfs/dbraw/zinc/22/10/64/287221064.db2.gz OBDJWUXOLFWZJI-CLWVCHIJSA-N 1 3 322.453 0.774 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418348004 287245208 /nfs/dbraw/zinc/24/52/08/287245208.db2.gz WGMVUTSQJMDOPT-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419046160 287263770 /nfs/dbraw/zinc/26/37/70/287263770.db2.gz PBNWWQAAXFLUFG-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N1CCC(C)CC1 ZINC000419145079 287266727 /nfs/dbraw/zinc/26/67/27/287266727.db2.gz GNMUMCGVBPKXML-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419341919 287281916 /nfs/dbraw/zinc/28/19/16/287281916.db2.gz ZWGBAEVXEAQMLY-MYZSUADSSA-N 1 3 322.453 0.171 20 0 DCADHO CCS(=O)(=O)NCCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420310740 287289023 /nfs/dbraw/zinc/28/90/23/287289023.db2.gz GSIHWXXIHAFCAI-CQSZACIVSA-N 1 3 303.472 0.637 20 0 DCADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341432 287292284 /nfs/dbraw/zinc/29/22/84/287292284.db2.gz OJZIBTUJQBTNTB-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000332084661 415235442 /nfs/dbraw/zinc/23/54/42/415235442.db2.gz DNXCZBFJAYNGNJ-CYBMUJFWSA-N 1 3 308.426 0.071 20 0 DCADHO COC(=O)c1cn(CC[NH2+]C2CCN(C(C)(C)C)CC2)nn1 ZINC000342805555 415300212 /nfs/dbraw/zinc/30/02/12/415300212.db2.gz HZNCDXHGUOBMQL-UHFFFAOYSA-N 1 3 309.414 0.917 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000332668198 415431310 /nfs/dbraw/zinc/43/13/10/415431310.db2.gz YVWDCPZXFJBZCH-ILXRZTDVSA-N 1 3 322.453 0.269 20 0 DCADHO NC(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C(F)(F)F ZINC000353442710 415544982 /nfs/dbraw/zinc/54/49/82/415544982.db2.gz GJKRIJFZQNRFAG-KOLCDFICSA-N 1 3 309.332 0.493 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000353455936 415550738 /nfs/dbraw/zinc/55/07/38/415550738.db2.gz YYQIGHXTXMLDAE-GHMZBOCLSA-N 1 3 311.348 0.835 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343316288 415551556 /nfs/dbraw/zinc/55/15/56/415551556.db2.gz ZDWNGYKTPZVQMM-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343316288 415551562 /nfs/dbraw/zinc/55/15/62/415551562.db2.gz ZDWNGYKTPZVQMM-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(C(=O)NC[C@H](C)[NH+](C)C)CCC1)N(C)C ZINC000353488249 415567273 /nfs/dbraw/zinc/56/72/73/415567273.db2.gz CTFPOOFDGGJQRN-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NCC1CCN(S(C)(=O)=O)CC1)[C@H]1CCCC[NH2+]1 ZINC000333344550 415617115 /nfs/dbraw/zinc/61/71/15/415617115.db2.gz YWBYDEGRGIAXIJ-TZMCWYRMSA-N 1 3 303.472 0.778 20 0 DCADHO O=S1(=O)CCCN1[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000333469784 415657698 /nfs/dbraw/zinc/65/76/98/415657698.db2.gz AQEHWXAZACRFKD-CABCVRRESA-N 1 3 315.483 0.876 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CNCCO3)C2)CC1 ZINC000333471379 415662415 /nfs/dbraw/zinc/66/24/15/415662415.db2.gz DIEVHAQZGUKMOJ-CABCVRRESA-N 1 3 310.442 0.348 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[C@@H](N2CCCCC2)C1 ZINC000333481968 415664617 /nfs/dbraw/zinc/66/46/17/415664617.db2.gz CEFLYIZHINPJBT-HUUCEWRRSA-N 1 3 310.442 0.635 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCNC2=O)[C@H](C)C1 ZINC000343689137 415686657 /nfs/dbraw/zinc/68/66/57/415686657.db2.gz LLNCNUNZOFXBHD-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCNC2=O)[C@H](C)C1 ZINC000343689137 415686664 /nfs/dbraw/zinc/68/66/64/415686664.db2.gz LLNCNUNZOFXBHD-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000343710664 415695347 /nfs/dbraw/zinc/69/53/47/415695347.db2.gz FWIXYJXHIVTUAM-HZPDHXFCSA-N 1 3 306.454 0.321 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000343736113 415703386 /nfs/dbraw/zinc/70/33/86/415703386.db2.gz RIRKKTKRHPOULF-KRWDZBQOSA-N 1 3 320.481 0.853 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000343736113 415703388 /nfs/dbraw/zinc/70/33/88/415703388.db2.gz RIRKKTKRHPOULF-KRWDZBQOSA-N 1 3 320.481 0.853 20 0 DCADHO CC[NH+](CC)CCOC1CCN(C[C@](C)(O)C(=O)OC)CC1 ZINC000343758730 415714124 /nfs/dbraw/zinc/71/41/24/415714124.db2.gz ODSFKDHMBRRJJD-INIZCTEOSA-N 1 3 316.442 0.733 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343821917 415742526 /nfs/dbraw/zinc/74/25/26/415742526.db2.gz XYIQLYOIMTZKRE-HZPDHXFCSA-N 1 3 308.470 0.470 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343821917 415742531 /nfs/dbraw/zinc/74/25/31/415742531.db2.gz XYIQLYOIMTZKRE-HZPDHXFCSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000333817335 415746640 /nfs/dbraw/zinc/74/66/40/415746640.db2.gz KHNDQCVAIJEQPU-RRFJBIMHSA-N 1 3 311.474 0.310 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000333948271 415767155 /nfs/dbraw/zinc/76/71/55/415767155.db2.gz WEPBBVVUEPXBHU-INIZCTEOSA-N 1 3 324.469 0.929 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000343897809 415772463 /nfs/dbraw/zinc/77/24/63/415772463.db2.gz XKSOYHPEKUIAON-CQSZACIVSA-N 1 3 311.426 0.377 20 0 DCADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336842903 415832233 /nfs/dbraw/zinc/83/22/33/415832233.db2.gz UVNJAZVGXIXSGO-GXTWGEPZSA-N 1 3 300.447 0.178 20 0 DCADHO C[C@@H]1CN(CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000337307678 415942309 /nfs/dbraw/zinc/94/23/09/415942309.db2.gz WVRROCXUAIDMIA-KURKYZTESA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000337307678 415942312 /nfs/dbraw/zinc/94/23/12/415942312.db2.gz WVRROCXUAIDMIA-KURKYZTESA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000337307678 415942315 /nfs/dbraw/zinc/94/23/15/415942315.db2.gz WVRROCXUAIDMIA-KURKYZTESA-N 1 3 324.513 0.665 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000344525376 415938905 /nfs/dbraw/zinc/93/89/05/415938905.db2.gz UHLFCTGXMOKFAC-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000344525376 415938911 /nfs/dbraw/zinc/93/89/11/415938911.db2.gz UHLFCTGXMOKFAC-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000357248890 416053200 /nfs/dbraw/zinc/05/32/00/416053200.db2.gz WGZBKKMLLGIOMD-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000357248890 416053201 /nfs/dbraw/zinc/05/32/01/416053201.db2.gz WGZBKKMLLGIOMD-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000337727701 416003255 /nfs/dbraw/zinc/00/32/55/416003255.db2.gz UZXAZLINHPCISD-ZBFHGGJFSA-N 1 3 314.474 0.576 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000337727701 416003257 /nfs/dbraw/zinc/00/32/57/416003257.db2.gz UZXAZLINHPCISD-ZBFHGGJFSA-N 1 3 314.474 0.576 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000302838864 416100692 /nfs/dbraw/zinc/10/06/92/416100692.db2.gz SDIGDUIIRIMKCG-UHFFFAOYSA-N 1 3 316.449 0.672 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339303108 416155897 /nfs/dbraw/zinc/15/58/97/416155897.db2.gz MHJKQGSWALIVDL-MJBXVCDLSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000314494741 416112526 /nfs/dbraw/zinc/11/25/26/416112526.db2.gz RZPXONRIAPANNL-MRXNPFEDSA-N 1 3 305.422 0.771 20 0 DCADHO CC[C@@H]1CN(CCOCC[N@@H+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000341003519 416198747 /nfs/dbraw/zinc/19/87/47/416198747.db2.gz GHVNDJFSRIJGKZ-GEEKYZPCSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1CN(CCOCC[N@H+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000341003519 416198751 /nfs/dbraw/zinc/19/87/51/416198751.db2.gz GHVNDJFSRIJGKZ-GEEKYZPCSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1C[N@H+](CCOCCN2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000341003519 416198752 /nfs/dbraw/zinc/19/87/52/416198752.db2.gz GHVNDJFSRIJGKZ-GEEKYZPCSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1C[N@@H+](CCOCCN2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000341003519 416198753 /nfs/dbraw/zinc/19/87/53/416198753.db2.gz GHVNDJFSRIJGKZ-GEEKYZPCSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1CN(CCOCC[N@H+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000341003517 416200195 /nfs/dbraw/zinc/20/01/95/416200195.db2.gz GHVNDJFSRIJGKZ-FPCVCCKLSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000341003517 416200197 /nfs/dbraw/zinc/20/01/97/416200197.db2.gz GHVNDJFSRIJGKZ-FPCVCCKLSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1C[N@H+](CCOCCN2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000341003517 416200200 /nfs/dbraw/zinc/20/02/00/416200200.db2.gz GHVNDJFSRIJGKZ-FPCVCCKLSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@@H]1C[N@@H+](CCOCCN2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000341003517 416200203 /nfs/dbraw/zinc/20/02/03/416200203.db2.gz GHVNDJFSRIJGKZ-FPCVCCKLSA-N 1 3 300.443 0.408 20 0 DCADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358257150 416218383 /nfs/dbraw/zinc/21/83/83/416218383.db2.gz UPKJDXMGNRDYQA-YJBOKZPZSA-N 1 3 319.449 0.780 20 0 DCADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257150 416218387 /nfs/dbraw/zinc/21/83/87/416218387.db2.gz UPKJDXMGNRDYQA-YJBOKZPZSA-N 1 3 319.449 0.780 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351519576 416278040 /nfs/dbraw/zinc/27/80/40/416278040.db2.gz OQTZWTYVWIDYEK-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000350174484 416265795 /nfs/dbraw/zinc/26/57/95/416265795.db2.gz KCOUAEJEOGONPA-CYBMUJFWSA-N 1 3 310.446 1.295 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000350174484 416265800 /nfs/dbraw/zinc/26/58/00/416265800.db2.gz KCOUAEJEOGONPA-CYBMUJFWSA-N 1 3 310.446 1.295 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342054859 416274024 /nfs/dbraw/zinc/27/40/24/416274024.db2.gz ANBZDGRIGVPYCT-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342054859 416274030 /nfs/dbraw/zinc/27/40/30/416274030.db2.gz ANBZDGRIGVPYCT-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000358728296 416274764 /nfs/dbraw/zinc/27/47/64/416274764.db2.gz YDASKQZQLSNSNE-WBVHZDCISA-N 1 3 324.469 0.617 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000358728296 416274767 /nfs/dbraw/zinc/27/47/67/416274767.db2.gz YDASKQZQLSNSNE-WBVHZDCISA-N 1 3 324.469 0.617 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)NC(=O)[C@@H](CC)N(C)C ZINC000359248606 416316416 /nfs/dbraw/zinc/31/64/16/416316416.db2.gz HFGXNXQERWZJKT-MGPQQGTHSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)NC(=O)[C@@H](CC)[NH+](C)C ZINC000359248606 416316419 /nfs/dbraw/zinc/31/64/19/416316419.db2.gz HFGXNXQERWZJKT-MGPQQGTHSA-N 1 3 314.474 0.678 20 0 DCADHO COCCN1CC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000358868927 416288918 /nfs/dbraw/zinc/28/89/18/416288918.db2.gz WYYZEOKLYCPGPZ-CABCVRRESA-N 1 3 309.385 0.705 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000249414044 416334309 /nfs/dbraw/zinc/33/43/09/416334309.db2.gz FYJAQEATFMZHQH-STQMWFEESA-N 1 3 314.430 0.169 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415537074 416346530 /nfs/dbraw/zinc/34/65/30/416346530.db2.gz GIBYPUVBXAFXOG-AWEZNQCLSA-N 1 3 318.421 0.849 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415762996 416353461 /nfs/dbraw/zinc/35/34/61/416353461.db2.gz WUXLBIZBHROCPU-UHFFFAOYSA-N 1 3 308.430 0.956 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418381080 416386417 /nfs/dbraw/zinc/38/64/17/416386417.db2.gz KTYZXWFPNVXRAQ-CQSZACIVSA-N 1 3 305.426 0.907 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418659603 416388526 /nfs/dbraw/zinc/38/85/26/416388526.db2.gz XOYJCJPRINEUNR-HOCLYGCPSA-N 1 3 319.453 0.452 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419141408 416397561 /nfs/dbraw/zinc/39/75/61/416397561.db2.gz VCFZKUHSRKOMOH-MCIONIFRSA-N 1 3 312.458 0.609 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419292800 416398510 /nfs/dbraw/zinc/39/85/10/416398510.db2.gz ZQKUHCCNYQICQE-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419415087 416400869 /nfs/dbraw/zinc/40/08/69/416400869.db2.gz UQGLWXJSVMNCTA-LSDHHAIUSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000419416018 416401401 /nfs/dbraw/zinc/40/14/01/416401401.db2.gz VQWLXAZVGWELNU-QLFBSQMISA-N 1 3 324.469 0.278 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419785702 416411279 /nfs/dbraw/zinc/41/12/79/416411279.db2.gz ZDCQXKXHXBLQSK-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423151327 416470847 /nfs/dbraw/zinc/47/08/47/416470847.db2.gz JVAKKIZYOGADFJ-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CN(CCC2CCN(C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000583614935 416477253 /nfs/dbraw/zinc/47/72/53/416477253.db2.gz VADKMMYPTPDONF-OKILXGFUSA-N 1 3 324.469 0.879 20 0 DCADHO COC(=O)COc1ccccc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423201187 416477648 /nfs/dbraw/zinc/47/76/48/416477648.db2.gz HWBPBPLFOUMEHM-CQSZACIVSA-N 1 3 321.421 0.794 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC2CCC([NH+](C)C)CC2)n1 ZINC000421057496 416420145 /nfs/dbraw/zinc/42/01/45/416420145.db2.gz HWLGOOCZNQSMOI-UHFFFAOYSA-N 1 3 322.457 1.439 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000422291070 416424947 /nfs/dbraw/zinc/42/49/47/416424947.db2.gz FTCZKMDLNCCJFH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000422291070 416424949 /nfs/dbraw/zinc/42/49/49/416424949.db2.gz FTCZKMDLNCCJFH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422483639 416433873 /nfs/dbraw/zinc/43/38/73/416433873.db2.gz ASKKJFATPOMMAT-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422483639 416433874 /nfs/dbraw/zinc/43/38/74/416433874.db2.gz ASKKJFATPOMMAT-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484570 416434071 /nfs/dbraw/zinc/43/40/71/416434071.db2.gz CPGRYKQMNZLTLK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422484570 416434072 /nfs/dbraw/zinc/43/40/72/416434072.db2.gz CPGRYKQMNZLTLK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CCCN1CCCO)[N@H+](C)C1CC1 ZINC000458292829 416451692 /nfs/dbraw/zinc/45/16/92/416451692.db2.gz OHBQHSUARCCZMM-UKRRQHHQSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CCCN1CCCO)[N@@H+](C)C1CC1 ZINC000458292829 416451697 /nfs/dbraw/zinc/45/16/97/416451697.db2.gz OHBQHSUARCCZMM-UKRRQHHQSA-N 1 3 312.458 0.615 20 0 DCADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)CN1CCCCC1 ZINC000422975797 416455302 /nfs/dbraw/zinc/45/53/02/416455302.db2.gz UEAPRXUNMJWKKI-YYIAUSFCSA-N 1 3 311.470 0.580 20 0 DCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000423722029 416547635 /nfs/dbraw/zinc/54/76/35/416547635.db2.gz PCHHMMSWIMMQHO-ZDUSSCGKSA-N 1 3 324.425 0.366 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)CC2([NH+](C)C)CCC2)CC1=O ZINC000438616072 416600325 /nfs/dbraw/zinc/60/03/25/416600325.db2.gz CZGFAAIIVMRQJQ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](CCNC(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000438712512 416601085 /nfs/dbraw/zinc/60/10/85/416601085.db2.gz XAVWACHELORJMN-UHFFFAOYSA-N 1 3 310.446 1.297 20 0 DCADHO CC[N@@H+](CCNC(=O)Nc1ccn(CCN(C)C)n1)C(C)C ZINC000438712512 416601088 /nfs/dbraw/zinc/60/10/88/416601088.db2.gz XAVWACHELORJMN-UHFFFAOYSA-N 1 3 310.446 1.297 20 0 DCADHO CC[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424034450 416606827 /nfs/dbraw/zinc/60/68/27/416606827.db2.gz CAYCXNMSSKSQHA-HNNXBMFYSA-N 1 3 304.438 0.833 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000364266360 416583550 /nfs/dbraw/zinc/58/35/50/416583550.db2.gz IZJXPLLFGNXBNJ-LSDHHAIUSA-N 1 3 310.442 0.585 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000364266360 416583554 /nfs/dbraw/zinc/58/35/54/416583554.db2.gz IZJXPLLFGNXBNJ-LSDHHAIUSA-N 1 3 310.442 0.585 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424133830 416614584 /nfs/dbraw/zinc/61/45/84/416614584.db2.gz MTRPLBNXQZHHMR-UONOGXRCSA-N 1 3 322.457 0.909 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000424139037 416616812 /nfs/dbraw/zinc/61/68/12/416616812.db2.gz DBDMBKATNDVUGW-IXDOHACOSA-N 1 3 316.449 0.829 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC(C)(C)N(C)C)c1 ZINC000424442577 416645310 /nfs/dbraw/zinc/64/53/10/416645310.db2.gz VWJXENQLNNPGHE-UHFFFAOYSA-N 1 3 306.410 0.849 20 0 DCADHO Cc1nnc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000543748245 416645786 /nfs/dbraw/zinc/64/57/86/416645786.db2.gz CEBFECVZSLFSIC-UHFFFAOYSA-N 1 3 314.459 0.481 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1(C)C ZINC000424483008 416655276 /nfs/dbraw/zinc/65/52/76/416655276.db2.gz WAALUPWZBWHGSX-ZIAGYGMSSA-N 1 3 311.474 0.582 20 0 DCADHO C[NH+](C)CC1(CNC(=O)[C@H]2CN3CCN2CCC3)CCCC1 ZINC000368173771 416657280 /nfs/dbraw/zinc/65/72/80/416657280.db2.gz MWHZGYHCXUHXPJ-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756454 416711775 /nfs/dbraw/zinc/71/17/75/416711775.db2.gz DQABDGQYPCCMEQ-RYUDHWBXSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756454 416711777 /nfs/dbraw/zinc/71/17/77/416711777.db2.gz DQABDGQYPCCMEQ-RYUDHWBXSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756454 416711781 /nfs/dbraw/zinc/71/17/81/416711781.db2.gz DQABDGQYPCCMEQ-RYUDHWBXSA-N 1 3 304.394 0.783 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000557201446 416729066 /nfs/dbraw/zinc/72/90/66/416729066.db2.gz YEFUXLAJRNYZEM-ZIAGYGMSSA-N 1 3 311.474 0.310 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369175169 416730679 /nfs/dbraw/zinc/73/06/79/416730679.db2.gz VFOWYSNTUKOMBN-BFYDXBDKSA-N 1 3 308.470 0.518 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000641327192 416785152 /nfs/dbraw/zinc/78/51/52/416785152.db2.gz BHEISKWLJGKSSQ-HNNXBMFYSA-N 1 3 312.458 0.914 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000518346573 416849664 /nfs/dbraw/zinc/84/96/64/416849664.db2.gz TYGLADUCJXOPOY-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC[N@@H+]1C ZINC000624137177 416962788 /nfs/dbraw/zinc/96/27/88/416962788.db2.gz FAERLDWMWKQDIX-IGQOVBAYSA-N 1 3 303.472 0.919 20 0 DCADHO C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC[N@H+]1C ZINC000624137177 416962798 /nfs/dbraw/zinc/96/27/98/416962798.db2.gz FAERLDWMWKQDIX-IGQOVBAYSA-N 1 3 303.472 0.919 20 0 DCADHO [NH3+]C/C=C\CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000641862794 417014686 /nfs/dbraw/zinc/01/46/86/417014686.db2.gz RYHLPLHVPSKAPR-VGOKWCNXSA-N 1 3 318.421 0.438 20 0 DCADHO CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000521516083 417016052 /nfs/dbraw/zinc/01/60/52/417016052.db2.gz QRTYPSWOFUJILH-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO CN1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@H](CN)C1 ZINC000641880835 417016771 /nfs/dbraw/zinc/01/67/71/417016771.db2.gz AMKRUQPFYXSQSE-HZPDHXFCSA-N 1 3 319.453 0.751 20 0 DCADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000521592109 417019155 /nfs/dbraw/zinc/01/91/55/417019155.db2.gz YMOBZAKJGLHUMI-LBPRGKRZSA-N 1 3 318.421 0.320 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000376165887 417019639 /nfs/dbraw/zinc/01/96/39/417019639.db2.gz JIPGTMIZTJOZPS-GJZGRUSLSA-N 1 3 312.458 0.690 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000376165887 417019647 /nfs/dbraw/zinc/01/96/47/417019647.db2.gz JIPGTMIZTJOZPS-GJZGRUSLSA-N 1 3 312.458 0.690 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2CCCN2C)CC1 ZINC000520986694 416984406 /nfs/dbraw/zinc/98/44/06/416984406.db2.gz ALZXHLMPOCPANV-HUUCEWRRSA-N 1 3 312.458 0.473 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000565538209 416991701 /nfs/dbraw/zinc/99/17/01/416991701.db2.gz QBQVPRUKYFXJTA-CVEARBPZSA-N 1 3 311.470 0.975 20 0 DCADHO CN1CCC(n2ccc(NC(=O)NCCC(C)(C)[NH3+])n2)CC1 ZINC000641817830 417006814 /nfs/dbraw/zinc/00/68/14/417006814.db2.gz ZOQIBYZSJIVIMV-UHFFFAOYSA-N 1 3 308.430 1.399 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C[NH3+] ZINC000642785696 417096180 /nfs/dbraw/zinc/09/61/80/417096180.db2.gz DNGNBTMVILMYTD-BPLDGKMQSA-N 1 3 322.453 0.030 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785661 417097015 /nfs/dbraw/zinc/09/70/15/417097015.db2.gz CDVWDAXGKXQQFO-RRFJBIMHSA-N 1 3 322.453 0.221 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000431024065 417099887 /nfs/dbraw/zinc/09/98/87/417099887.db2.gz UNHZCWQJTWOVIE-OLZOCXBDSA-N 1 3 302.488 0.209 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])N(C)Cc1ccccc1 ZINC000642262591 417039960 /nfs/dbraw/zinc/03/99/60/417039960.db2.gz ISWLEMVTFSSZOC-QWHCGFSZSA-N 1 3 306.410 0.087 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc(CN)n3)C2)CC1 ZINC000377194298 417050093 /nfs/dbraw/zinc/05/00/93/417050093.db2.gz AABNQHYXQPQACS-LLVKDONJSA-N 1 3 323.466 0.500 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3csc(CN)n3)C2)CC1 ZINC000377194298 417050101 /nfs/dbraw/zinc/05/01/01/417050101.db2.gz AABNQHYXQPQACS-LLVKDONJSA-N 1 3 323.466 0.500 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000642439327 417051797 /nfs/dbraw/zinc/05/17/97/417051797.db2.gz BTFHTJAIBCYZQJ-BFHYXJOUSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642439283 417053410 /nfs/dbraw/zinc/05/34/10/417053410.db2.gz AFCKZTNNQILVSA-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000637262758 417055406 /nfs/dbraw/zinc/05/54/06/417055406.db2.gz CGSXWZMOHINYFM-SOUVJXGZSA-N 1 3 312.458 0.546 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000637262758 417055410 /nfs/dbraw/zinc/05/54/10/417055410.db2.gz CGSXWZMOHINYFM-SOUVJXGZSA-N 1 3 312.458 0.546 20 0 DCADHO CSCC[C@@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430771618 417066236 /nfs/dbraw/zinc/06/62/36/417066236.db2.gz FBDCUTWBRMXPGW-CYBMUJFWSA-N 1 3 302.488 0.209 20 0 DCADHO CCc1ccc([C@@H](CNC(=O)COC2C[NH2+]C2)N(C)C)cc1 ZINC000430850642 417072487 /nfs/dbraw/zinc/07/24/87/417072487.db2.gz VVFWZRSWJVGBSH-MRXNPFEDSA-N 1 3 305.422 0.956 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(CC[NH3+])CC1 ZINC000568056913 417074507 /nfs/dbraw/zinc/07/45/07/417074507.db2.gz GZHJAJXDUUOUIZ-TZMCWYRMSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000642732197 417083940 /nfs/dbraw/zinc/08/39/40/417083940.db2.gz XTSWCUJLEAMPOL-ILXRZTDVSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000642732187 417085263 /nfs/dbraw/zinc/08/52/63/417085263.db2.gz VTBIIGUVSPJCNP-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCNCC1)[N@H+](C)Cc1ccccc1 ZINC000379682794 417085320 /nfs/dbraw/zinc/08/53/20/417085320.db2.gz YXQQYSYXPKXGGA-INIZCTEOSA-N 1 3 318.465 0.918 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCNCC1)[N@@H+](C)Cc1ccccc1 ZINC000379682794 417085329 /nfs/dbraw/zinc/08/53/29/417085329.db2.gz YXQQYSYXPKXGGA-INIZCTEOSA-N 1 3 318.465 0.918 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000642773430 417093780 /nfs/dbraw/zinc/09/37/80/417093780.db2.gz XULOVXDVUOCYHT-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642773391 417094888 /nfs/dbraw/zinc/09/48/88/417094888.db2.gz VOJQMOKRFZOPBA-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000642919108 417123589 /nfs/dbraw/zinc/12/35/89/417123589.db2.gz OMHIOQBBPNBINY-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C(=O)NC1CNC1 ZINC000642881103 417108887 /nfs/dbraw/zinc/10/88/87/417108887.db2.gz GTKVBETXHOVWAS-UHFFFAOYSA-N 1 3 322.453 0.379 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000642908455 417119352 /nfs/dbraw/zinc/11/93/52/417119352.db2.gz RZZKPOTWLUIOHY-LBPRGKRZSA-N 1 3 324.400 0.179 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1=O ZINC000430726840 287351299 /nfs/dbraw/zinc/35/12/99/287351299.db2.gz WZEVVGWMCLMBHN-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CN1C1CC1 ZINC000568391138 417129979 /nfs/dbraw/zinc/12/99/79/417129979.db2.gz DJIGXVYAZCRHEO-NEPJUHHUSA-N 1 3 306.414 0.372 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642980397 417136838 /nfs/dbraw/zinc/13/68/38/417136838.db2.gz CFNTWEOBTVTLFY-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000642969040 417135978 /nfs/dbraw/zinc/13/59/78/417135978.db2.gz DHWHFYXCVSCHPU-HUUCEWRRSA-N 1 3 324.469 0.609 20 0 DCADHO COC[C@]1(C(=O)NCCC[NH2+]Cc2cccnc2)CCCCN1 ZINC000637806357 417189724 /nfs/dbraw/zinc/18/97/24/417189724.db2.gz IUMPUSWZJXEOAL-KRWDZBQOSA-N 1 3 320.437 0.836 20 0 DCADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3CC[NH2+]C3)ccc2[nH]c1=O ZINC000637810743 417192395 /nfs/dbraw/zinc/19/23/95/417192395.db2.gz GIIIDJRTSDHJMQ-GFCCVEGCSA-N 1 3 317.393 0.395 20 0 DCADHO CCN(CC[NH3+])C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000627011878 417206735 /nfs/dbraw/zinc/20/67/35/417206735.db2.gz LYQORFXKUSLTOA-MRXNPFEDSA-N 1 3 320.437 0.743 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000527063616 417209392 /nfs/dbraw/zinc/20/93/92/417209392.db2.gz KHTRQGJBGHZXGG-KBPBESRZSA-N 1 3 312.458 0.230 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000527131112 417215839 /nfs/dbraw/zinc/21/58/39/417215839.db2.gz FJTCCJXNOXFGEJ-KFWWJZLASA-N 1 3 312.458 0.689 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C(C)[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000412395582 417216222 /nfs/dbraw/zinc/21/62/22/417216222.db2.gz TZSURANPESSQAJ-CDGCEXEKSA-N 1 3 312.458 0.001 20 0 DCADHO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N(C)C1CC1 ZINC000569114407 417217049 /nfs/dbraw/zinc/21/70/49/417217049.db2.gz DENYMADBEQLKDC-RYUDHWBXSA-N 1 3 306.414 0.243 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000643494687 417223721 /nfs/dbraw/zinc/22/37/21/417223721.db2.gz ZJXKVDFACPKIDJ-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000569544222 417266233 /nfs/dbraw/zinc/26/62/33/417266233.db2.gz KYUYGSBGKIKAGP-CQSZACIVSA-N 1 3 320.441 1.366 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC(C)(C)N(C)C ZINC000414657530 417291671 /nfs/dbraw/zinc/29/16/71/417291671.db2.gz KJZRMQSXRLGZET-UHFFFAOYSA-N 1 3 306.410 0.801 20 0 DCADHO CCN1CCC(N(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000569343767 417244497 /nfs/dbraw/zinc/24/44/97/417244497.db2.gz OHPJGTGFELCYHT-ZDUSSCGKSA-N 1 3 320.441 0.586 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000643592598 417250877 /nfs/dbraw/zinc/25/08/77/417250877.db2.gz CNUYWVGFQWBBGQ-IPYPFGDCSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000643592598 417250883 /nfs/dbraw/zinc/25/08/83/417250883.db2.gz CNUYWVGFQWBBGQ-IPYPFGDCSA-N 1 3 322.453 0.267 20 0 DCADHO CN(C(=O)Nc1cnn(C2CCN(C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000632960130 417301442 /nfs/dbraw/zinc/30/14/42/417301442.db2.gz CQWWUQVIOANKIO-CQSZACIVSA-N 1 3 306.414 0.975 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414837991 417306587 /nfs/dbraw/zinc/30/65/87/417306587.db2.gz HXNQHSFVKIMSKR-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC1C[NH2+]C1 ZINC000638096806 417321727 /nfs/dbraw/zinc/32/17/27/417321727.db2.gz MTUHSQFUUXZEKZ-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000633039886 417331315 /nfs/dbraw/zinc/33/13/15/417331315.db2.gz MALXGSOCTWTEFB-GXTWGEPZSA-N 1 3 318.421 0.677 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000638275526 417400114 /nfs/dbraw/zinc/40/01/14/417400114.db2.gz YTCVRUTYYMTOOP-XHSDSOJGSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000638275526 417400116 /nfs/dbraw/zinc/40/01/16/417400116.db2.gz YTCVRUTYYMTOOP-XHSDSOJGSA-N 1 3 308.470 0.755 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000638276177 417401218 /nfs/dbraw/zinc/40/12/18/417401218.db2.gz RDZAOMSZQYYNIR-IAGOWNOFSA-N 1 3 318.465 0.998 20 0 DCADHO CN1CCN(CC2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)CC1 ZINC000638276690 417401306 /nfs/dbraw/zinc/40/13/06/417401306.db2.gz OJLCXKAHZPELGG-INIZCTEOSA-N 1 3 306.454 0.520 20 0 DCADHO O=C(CN1CCNCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638308082 417415216 /nfs/dbraw/zinc/41/52/16/417415216.db2.gz GGWIQZWFUSJLCK-GOEBONIOSA-N 1 3 306.454 0.367 20 0 DCADHO O=C(CN1CCNCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638308082 417415222 /nfs/dbraw/zinc/41/52/22/417415222.db2.gz GGWIQZWFUSJLCK-GOEBONIOSA-N 1 3 306.454 0.367 20 0 DCADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000638331195 417421812 /nfs/dbraw/zinc/42/18/12/417421812.db2.gz FBRWRFDPUSBNPJ-NEXFUWMNSA-N 1 3 317.437 0.846 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC000638339308 417425656 /nfs/dbraw/zinc/42/56/56/417425656.db2.gz FSYOKZCBMRYFEP-ZDUSSCGKSA-N 1 3 306.414 0.242 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000633116189 417369616 /nfs/dbraw/zinc/36/96/16/417369616.db2.gz QBVMYDDLNWQZBO-MGPQQGTHSA-N 1 3 308.426 0.021 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622027309 417371023 /nfs/dbraw/zinc/37/10/23/417371023.db2.gz AFMRWNPQVQCDIE-FHIRATQRSA-N 1 3 322.453 0.125 20 0 DCADHO N[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C1CCOCC1 ZINC000570631448 417373460 /nfs/dbraw/zinc/37/34/60/417373460.db2.gz YJXTUCIQPHVIRV-IMJJTQAJSA-N 1 3 321.396 0.833 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000627364121 417376656 /nfs/dbraw/zinc/37/66/56/417376656.db2.gz HVILWPGGVRZDME-AWEZNQCLSA-N 1 3 312.458 0.422 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000627364121 417376662 /nfs/dbraw/zinc/37/66/62/417376662.db2.gz HVILWPGGVRZDME-AWEZNQCLSA-N 1 3 312.458 0.422 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000638427314 417453018 /nfs/dbraw/zinc/45/30/18/417453018.db2.gz ZFHKKQWHYMPVMN-OFQRWUPVSA-N 1 3 311.426 0.123 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638491773 417473715 /nfs/dbraw/zinc/47/37/15/417473715.db2.gz MPMNPTDIMBAKCR-DLBZAZTESA-N 1 3 318.465 0.902 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638491773 417473723 /nfs/dbraw/zinc/47/37/23/417473723.db2.gz MPMNPTDIMBAKCR-DLBZAZTESA-N 1 3 318.465 0.902 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638512090 417479803 /nfs/dbraw/zinc/47/98/03/417479803.db2.gz ILMKJBFMJJLJTK-CVEARBPZSA-N 1 3 316.449 0.847 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007140 417556884 /nfs/dbraw/zinc/55/68/84/417556884.db2.gz FCMQJMFWXPCMMK-GFCCVEGCSA-N 1 3 312.439 0.726 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000638592016 417499268 /nfs/dbraw/zinc/49/92/68/417499268.db2.gz JWJXJHAWZURNCL-CYBMUJFWSA-N 1 3 300.447 0.770 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)[C@H](N)CN(C)Cc2ccccc2)C[NH2+]1 ZINC000638643071 417522745 /nfs/dbraw/zinc/52/27/45/417522745.db2.gz ZLIIJASHXINJMM-FVQBIDKESA-N 1 3 304.438 0.702 20 0 DCADHO Cc1cncn1CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638984088 417596564 /nfs/dbraw/zinc/59/65/64/417596564.db2.gz QTBUGAQHJNHFLV-UHFFFAOYSA-N 1 3 300.366 0.635 20 0 DCADHO C[C@@]1(C(=O)Nc2cc(N3CCNCC3)ccn2)CCC[NH2+]C1 ZINC000638984200 417597821 /nfs/dbraw/zinc/59/78/21/417597821.db2.gz JZFCHSJRWNTKIU-MRXNPFEDSA-N 1 3 303.410 0.819 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000638983491 417597969 /nfs/dbraw/zinc/59/79/69/417597969.db2.gz AYXWCSJEFOAMAM-AWEZNQCLSA-N 1 3 315.421 0.819 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638985723 417598463 /nfs/dbraw/zinc/59/84/63/417598463.db2.gz NBZTUSRKLAEZRR-OCCSQVGLSA-N 1 3 303.410 0.818 20 0 DCADHO CO[C@@H](CN)C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000576042008 417573665 /nfs/dbraw/zinc/57/36/65/417573665.db2.gz YSNQYJVVZCWNLS-GJZGRUSLSA-N 1 3 306.410 0.526 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561594 417620314 /nfs/dbraw/zinc/62/03/14/417620314.db2.gz BWCJRBMHNVIZFW-DOTOQJQBSA-N 1 3 313.486 0.778 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](CCc2cncn2C)CC1 ZINC000639527904 417688785 /nfs/dbraw/zinc/68/87/85/417688785.db2.gz ZUFWZQDRGAASAQ-UHFFFAOYSA-N 1 3 307.442 0.352 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCc2ncnn21 ZINC000639550037 417691816 /nfs/dbraw/zinc/69/18/16/417691816.db2.gz KPGJUJGKBGUUOG-OAHLLOKOSA-N 1 3 306.458 0.723 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCc2ncnn21 ZINC000639550037 417691821 /nfs/dbraw/zinc/69/18/21/417691821.db2.gz KPGJUJGKBGUUOG-OAHLLOKOSA-N 1 3 306.458 0.723 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCN1C ZINC000639261034 417647393 /nfs/dbraw/zinc/64/73/93/417647393.db2.gz KDDJFSHIGKMDGY-IRXDYDNUSA-N 1 3 324.513 0.855 20 0 DCADHO CC[NH+]1CCC(NC(=O)N2CCOC3(CCN(C)CC3)C2)CC1 ZINC000645120525 417704029 /nfs/dbraw/zinc/70/40/29/417704029.db2.gz HSTRKSUYVHGZRR-UHFFFAOYSA-N 1 3 324.469 0.977 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645262813 417721195 /nfs/dbraw/zinc/72/11/95/417721195.db2.gz HHEVFEDWQOJKEQ-CHWSQXEVSA-N 1 3 313.446 0.088 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[N@@H+]2CCCC2(C)C)n1 ZINC000639722756 417727936 /nfs/dbraw/zinc/72/79/36/417727936.db2.gz LXUKWOKUWJMCJZ-UHFFFAOYSA-N 1 3 322.457 1.441 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[N@H+]2CCCC2(C)C)n1 ZINC000639722756 417727938 /nfs/dbraw/zinc/72/79/38/417727938.db2.gz LXUKWOKUWJMCJZ-UHFFFAOYSA-N 1 3 322.457 1.441 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCNC(C)(C)C1 ZINC000635643897 417728631 /nfs/dbraw/zinc/72/86/31/417728631.db2.gz BHAVKLKUWADPQK-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCNC(C)(C)C1 ZINC000635643897 417728635 /nfs/dbraw/zinc/72/86/35/417728635.db2.gz BHAVKLKUWADPQK-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1CSCCN1 ZINC000662632388 417829341 /nfs/dbraw/zinc/82/93/41/417829341.db2.gz CZIFGTPDJILOOM-CYBMUJFWSA-N 1 3 302.488 0.081 20 0 DCADHO CN(C)C1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000640087738 417783032 /nfs/dbraw/zinc/78/30/32/417783032.db2.gz LBHAMYHCCHMFIE-UHFFFAOYSA-N 1 3 320.441 1.366 20 0 DCADHO Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nnn1[C@H]1CC[NH2+]C1 ZINC000662514582 417791039 /nfs/dbraw/zinc/79/10/39/417791039.db2.gz PAZTZFRVNVAMLQ-MELADBBJSA-N 1 3 318.425 0.287 20 0 DCADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000662659780 417838649 /nfs/dbraw/zinc/83/86/49/417838649.db2.gz PIEYTQDMGBSICR-CYBMUJFWSA-N 1 3 314.474 0.489 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000646189711 417801175 /nfs/dbraw/zinc/80/11/75/417801175.db2.gz LAZFBDWNCRAVEW-QLFBSQMISA-N 1 3 313.490 0.685 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1 ZINC000640324898 417822433 /nfs/dbraw/zinc/82/24/33/417822433.db2.gz JEVBJXJVFBPHAR-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000646012273 417847357 /nfs/dbraw/zinc/84/73/57/417847357.db2.gz KRMDCCXYUGFAQD-DKUMPPAJSA-N 1 3 307.438 0.792 20 0 DCADHO COCCN1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652140700 417851868 /nfs/dbraw/zinc/85/18/68/417851868.db2.gz ZUKFVPPNLOFDIM-UHFFFAOYSA-N 1 3 312.458 0.786 20 0 DCADHO CCO[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2CC)C[C@H]1C[NH3+] ZINC000652149835 417851885 /nfs/dbraw/zinc/85/18/85/417851885.db2.gz CIFOJRWGMAGNBK-QLFBSQMISA-N 1 3 312.458 0.866 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C[C@H]1C[NH3+] ZINC000652165843 417854757 /nfs/dbraw/zinc/85/47/57/417854757.db2.gz CBQJEWRPLNPKRD-SFDCQRBFSA-N 1 3 310.442 0.617 20 0 DCADHO CCN(CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CC1 ZINC000662709613 417864568 /nfs/dbraw/zinc/86/45/68/417864568.db2.gz CNQPRLFAGGPZHL-CQSZACIVSA-N 1 3 320.441 0.807 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)n1 ZINC000636108260 417871364 /nfs/dbraw/zinc/87/13/64/417871364.db2.gz BYWZLRQLLLTHLO-ZIAGYGMSSA-N 1 3 307.442 0.903 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662724247 417873810 /nfs/dbraw/zinc/87/38/10/417873810.db2.gz NEGNMYSJZVBGRZ-UHFFFAOYSA-N 1 3 318.421 0.476 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662753650 417891536 /nfs/dbraw/zinc/89/15/36/417891536.db2.gz UUOBIMYQJYQLQR-GJZGRUSLSA-N 1 3 313.442 0.356 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662673270 417845208 /nfs/dbraw/zinc/84/52/08/417845208.db2.gz IWDWKQQUVCGQMB-HUUCEWRRSA-N 1 3 307.394 0.929 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000251 417974587 /nfs/dbraw/zinc/97/45/87/417974587.db2.gz FMAGDQJRVSBHIW-CVEARBPZSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000251 417974589 /nfs/dbraw/zinc/97/45/89/417974589.db2.gz FMAGDQJRVSBHIW-CVEARBPZSA-N 1 3 309.454 0.993 20 0 DCADHO CCO[C@@H]1CN(C(=O)c2cccc3c2CCNC3)C[C@H]1C[NH3+] ZINC000662828213 417918322 /nfs/dbraw/zinc/91/83/22/417918322.db2.gz CDQDEKPPLHGNQI-CZUORRHYSA-N 1 3 303.406 0.768 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[NH2+]1 ZINC000652702497 417948622 /nfs/dbraw/zinc/94/86/22/417948622.db2.gz YNLPEFCSMFIXFG-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)CO)CC2)CC1 ZINC000646914582 417952004 /nfs/dbraw/zinc/95/20/04/417952004.db2.gz ZWRSUZVJPRGMSY-AWEZNQCLSA-N 1 3 311.470 0.927 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000652710109 417952858 /nfs/dbraw/zinc/95/28/58/417952858.db2.gz JAYOWOIZANUFBT-CQSZACIVSA-N 1 3 322.453 0.318 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662928896 417953434 /nfs/dbraw/zinc/95/34/34/417953434.db2.gz VIDLVBPWFLPRTE-GFCCVEGCSA-N 1 3 312.458 0.371 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000652732706 417959549 /nfs/dbraw/zinc/95/95/49/417959549.db2.gz RCIRPTPSJKZGOR-INIZCTEOSA-N 1 3 310.442 0.128 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662979431 417969797 /nfs/dbraw/zinc/96/97/97/417969797.db2.gz BDAAYYWGTGIVOU-KFWWJZLASA-N 1 3 324.469 0.561 20 0 DCADHO c1ncn(-c2ccccc2CN2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000647541304 418020988 /nfs/dbraw/zinc/02/09/88/418020988.db2.gz YJINUDULBNSCCR-INIZCTEOSA-N 1 3 312.421 0.747 20 0 DCADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)cn1 ZINC000647549854 418021712 /nfs/dbraw/zinc/02/17/12/418021712.db2.gz UEQQXVDMFSKRHD-COMQUAJESA-N 1 3 303.410 0.503 20 0 DCADHO CCN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCN(CC)C1 ZINC000658830122 418028800 /nfs/dbraw/zinc/02/88/00/418028800.db2.gz QCHBXWYUOFTIMB-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653112927 418030074 /nfs/dbraw/zinc/03/00/74/418030074.db2.gz MZOFHWHKLHBJLD-HNNXBMFYSA-N 1 3 322.453 0.522 20 0 DCADHO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@H]1CC[NH3+] ZINC000653241051 418046393 /nfs/dbraw/zinc/04/63/93/418046393.db2.gz XFTIOPHUZJKUFO-KFWWJZLASA-N 1 3 324.469 0.372 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1(C)C ZINC000653247608 418046786 /nfs/dbraw/zinc/04/67/86/418046786.db2.gz JXWMUNXZJABJBK-FOCJUVANSA-N 1 3 313.442 0.341 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647077368 417982138 /nfs/dbraw/zinc/98/21/38/417982138.db2.gz YDCAADSNUAFNOU-ZACQAIPSSA-N 1 3 317.433 0.911 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000641214662 417990611 /nfs/dbraw/zinc/99/06/11/417990611.db2.gz GSFAMCWAUPJCDZ-INIZCTEOSA-N 1 3 303.410 0.662 20 0 DCADHO CC1(OCC(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CNC1 ZINC000648178023 418114919 /nfs/dbraw/zinc/11/49/19/418114919.db2.gz KCASQPUJKAPZIR-GXTWGEPZSA-N 1 3 307.369 0.457 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659552331 418117028 /nfs/dbraw/zinc/11/70/28/418117028.db2.gz YMQZYLMBINOWCG-JKSUJKDBSA-N 1 3 320.437 0.790 20 0 DCADHO CC(C)[NH2+]CC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000659256594 418074376 /nfs/dbraw/zinc/07/43/76/418074376.db2.gz OMQINZCQKJVVFF-UHFFFAOYSA-N 1 3 320.437 0.592 20 0 DCADHO C(CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)N1CC[NH2+]CC1 ZINC000647988386 418084628 /nfs/dbraw/zinc/08/46/28/418084628.db2.gz CBFVISKNLUBAAG-CQSZACIVSA-N 1 3 304.442 0.767 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCN1C ZINC000664215285 418098992 /nfs/dbraw/zinc/09/89/92/418098992.db2.gz ALJSXOKYQODRRD-IJEWVQPXSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCN1C ZINC000664215285 418098994 /nfs/dbraw/zinc/09/89/94/418098994.db2.gz ALJSXOKYQODRRD-IJEWVQPXSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCN1C ZINC000664215279 418099230 /nfs/dbraw/zinc/09/92/30/418099230.db2.gz ALJSXOKYQODRRD-IIAWOOMASA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCN1C ZINC000664215279 418099233 /nfs/dbraw/zinc/09/92/33/418099233.db2.gz ALJSXOKYQODRRD-IIAWOOMASA-N 1 3 324.469 0.710 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000648106823 418099420 /nfs/dbraw/zinc/09/94/20/418099420.db2.gz ZXLFBLMCYIWGLT-SNVBAGLBSA-N 1 3 312.377 0.780 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CCN(c2ccncc2OC)CC1 ZINC000653654254 418100025 /nfs/dbraw/zinc/10/00/25/418100025.db2.gz GYBTVKVYIQRZRH-AWEZNQCLSA-N 1 3 308.426 0.525 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CCN(c2ccncc2OC)CC1 ZINC000653654254 418100027 /nfs/dbraw/zinc/10/00/27/418100027.db2.gz GYBTVKVYIQRZRH-AWEZNQCLSA-N 1 3 308.426 0.525 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659502934 418106726 /nfs/dbraw/zinc/10/67/26/418106726.db2.gz FIXJRRCPSRYDSA-LLVKDONJSA-N 1 3 322.413 0.172 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659502934 418106729 /nfs/dbraw/zinc/10/67/29/418106729.db2.gz FIXJRRCPSRYDSA-LLVKDONJSA-N 1 3 322.413 0.172 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000653766688 418107102 /nfs/dbraw/zinc/10/71/02/418107102.db2.gz QKPGMPXBSYLSFT-OAHLLOKOSA-N 1 3 301.475 0.732 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000659611664 418126564 /nfs/dbraw/zinc/12/65/64/418126564.db2.gz STRNIDWUWDAAAC-HUUCEWRRSA-N 1 3 324.469 0.868 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654386408 418139539 /nfs/dbraw/zinc/13/95/39/418139539.db2.gz WRGZDLOMNOURFB-YJNKXOJESA-N 1 3 308.426 0.074 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654386408 418139541 /nfs/dbraw/zinc/13/95/41/418139541.db2.gz WRGZDLOMNOURFB-YJNKXOJESA-N 1 3 308.426 0.074 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659686646 418146861 /nfs/dbraw/zinc/14/68/61/418146861.db2.gz WFCUOTZPQJRCNQ-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO O=C(N1CCOC2(CNC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000664723915 418148415 /nfs/dbraw/zinc/14/84/15/418148415.db2.gz BCMFSABGYKCZAT-UHFFFAOYSA-N 1 3 315.417 0.509 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000659714636 418158871 /nfs/dbraw/zinc/15/88/71/418158871.db2.gz KSBVUAWWLGYHFW-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654547383 418159210 /nfs/dbraw/zinc/15/92/10/418159210.db2.gz MUFCYGFIMCBMKR-JKSUJKDBSA-N 1 3 322.453 0.321 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000659714922 418159306 /nfs/dbraw/zinc/15/93/06/418159306.db2.gz OFBNREIRUHCGIJ-AGIUHOORSA-N 1 3 310.442 0.362 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000659719068 418161156 /nfs/dbraw/zinc/16/11/56/418161156.db2.gz FPQPHOCZZYOEAU-ZIAGYGMSSA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659734640 418168920 /nfs/dbraw/zinc/16/89/20/418168920.db2.gz ARGUOYMSURAVAN-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCC[C@@H](C)C1 ZINC000659741302 418171823 /nfs/dbraw/zinc/17/18/23/418171823.db2.gz JEUUMBCPYOCVHN-YFTKNLTDSA-N 1 3 322.453 0.091 20 0 DCADHO COCCC1(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000649348235 418245642 /nfs/dbraw/zinc/24/56/42/418245642.db2.gz DVQSEMQXKKOGTR-ZFWWWQNUSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000649070813 418189941 /nfs/dbraw/zinc/18/99/41/418189941.db2.gz VYEGIQANGNAJIS-IHRRRGAJSA-N 1 3 310.442 0.295 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000649070813 418189944 /nfs/dbraw/zinc/18/99/44/418189944.db2.gz VYEGIQANGNAJIS-IHRRRGAJSA-N 1 3 310.442 0.295 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccccc2OCCN(C)C)CCO1 ZINC000649274855 418217864 /nfs/dbraw/zinc/21/78/64/418217864.db2.gz XGXICRQTGGRLTF-BBRMVZONSA-N 1 3 321.421 0.815 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000660055429 418224902 /nfs/dbraw/zinc/22/49/02/418224902.db2.gz DQWSLQLERBSENX-GOEBONIOSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000660701319 418282650 /nfs/dbraw/zinc/28/26/50/418282650.db2.gz QRTNQAKKVDDHRH-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000660701319 418282652 /nfs/dbraw/zinc/28/26/52/418282652.db2.gz QRTNQAKKVDDHRH-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000660704429 418283022 /nfs/dbraw/zinc/28/30/22/418283022.db2.gz NTOUMCZKWNWVFJ-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000660704429 418283024 /nfs/dbraw/zinc/28/30/24/418283024.db2.gz NTOUMCZKWNWVFJ-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000660704427 418283501 /nfs/dbraw/zinc/28/35/01/418283501.db2.gz NTOUMCZKWNWVFJ-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000660704427 418283503 /nfs/dbraw/zinc/28/35/03/418283503.db2.gz NTOUMCZKWNWVFJ-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)CCN1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655687186 418288469 /nfs/dbraw/zinc/28/84/69/418288469.db2.gz LPLMRXGFSARRDX-GOSISDBHSA-N 1 3 324.513 0.855 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000655824582 418293330 /nfs/dbraw/zinc/29/33/30/418293330.db2.gz MUVPNIIRZIQVCA-KLPPZKSPSA-N 1 3 315.414 0.903 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655907736 418299158 /nfs/dbraw/zinc/29/91/58/418299158.db2.gz NHUMRFYDNKUMEX-UONOGXRCSA-N 1 3 304.394 0.689 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916812 418300289 /nfs/dbraw/zinc/30/02/89/418300289.db2.gz IOYBFNASMOCUAO-UWVGGRQHSA-N 1 3 312.336 0.286 20 0 DCADHO CCNc1nc(NCCC2(C[NH3+])CC2)nc(NC(C)(C)C)n1 ZINC000650302355 418303542 /nfs/dbraw/zinc/30/35/42/418303542.db2.gz GITJKFZYAYNSDK-UHFFFAOYSA-N 1 3 307.446 0.899 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656020077 418317799 /nfs/dbraw/zinc/31/77/99/418317799.db2.gz MXUBTIUAWQVKFX-KKUMJFAQSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656024676 418319767 /nfs/dbraw/zinc/31/97/67/418319767.db2.gz SCCGUPBLLZOWHY-XDQVBPFNSA-N 1 3 310.442 0.362 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000650715225 418321131 /nfs/dbraw/zinc/32/11/31/418321131.db2.gz VGVOYRABARFPIM-HIFRSBDPSA-N 1 3 302.422 0.810 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[C@H]1[NH3+] ZINC000656028159 418321593 /nfs/dbraw/zinc/32/15/93/418321593.db2.gz IGRXRHCWOWXYPA-KBUPBQIOSA-N 1 3 322.453 0.315 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656029339 418321610 /nfs/dbraw/zinc/32/16/10/418321610.db2.gz YMTIJOXHEZXHGI-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656067879 418323654 /nfs/dbraw/zinc/32/36/54/418323654.db2.gz OHMRYBXZMHEVMU-GASCZTMLSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COC1CCOCC1)C2 ZINC000660657993 418279435 /nfs/dbraw/zinc/27/94/35/418279435.db2.gz VELHTZYXSZDBOU-WBVHZDCISA-N 1 3 312.454 0.961 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COC1CCOCC1)C2 ZINC000660657993 418279436 /nfs/dbraw/zinc/27/94/36/418279436.db2.gz VELHTZYXSZDBOU-WBVHZDCISA-N 1 3 312.454 0.961 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661359991 418332859 /nfs/dbraw/zinc/33/28/59/418332859.db2.gz UDBWYXVZFNLBPR-CWRNSKLLSA-N 1 3 324.469 0.879 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656310567 418344054 /nfs/dbraw/zinc/34/40/54/418344054.db2.gz ZZOWXKUCWLEHNN-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NCCNc1ccncc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662394196 418406853 /nfs/dbraw/zinc/40/68/53/418406853.db2.gz COVQISYPNFIOBS-LLVKDONJSA-N 1 3 300.366 0.145 20 0 DCADHO N[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)c1ccccc1 ZINC000662414427 418408475 /nfs/dbraw/zinc/40/84/75/418408475.db2.gz ZBTOCTMRTCDWSY-CQSZACIVSA-N 1 3 314.393 0.632 20 0 DCADHO CC[C@H]([NH2+]C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000662428208 418409474 /nfs/dbraw/zinc/40/94/74/418409474.db2.gz NUCQXCPVNQKRKO-INIZCTEOSA-N 1 3 319.453 0.708 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cnnn1C1CC[NH2+]CC1 ZINC000662452501 418410623 /nfs/dbraw/zinc/41/06/23/418410623.db2.gz RHMHUBBKWAGVNT-ZDUSSCGKSA-N 1 3 318.425 0.417 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC000662321358 418400632 /nfs/dbraw/zinc/40/06/32/418400632.db2.gz BTPVMRNDTXAYQM-BZUAXINKSA-N 1 3 322.428 0.777 20 0 DCADHO COC(=O)C(C)(C)CC[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000354326439 261204657 /nfs/dbraw/zinc/20/46/57/261204657.db2.gz DCNAXAVFSTVPJD-ZDUSSCGKSA-N 1 3 313.442 0.753 20 0 DCADHO COC(=O)C(C)(C)CCNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000354326439 261204659 /nfs/dbraw/zinc/20/46/59/261204659.db2.gz DCNAXAVFSTVPJD-ZDUSSCGKSA-N 1 3 313.442 0.753 20 0 DCADHO COC(=O)C(C)(C)CCNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000354326439 261204661 /nfs/dbraw/zinc/20/46/61/261204661.db2.gz DCNAXAVFSTVPJD-ZDUSSCGKSA-N 1 3 313.442 0.753 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000355521690 261346091 /nfs/dbraw/zinc/34/60/91/261346091.db2.gz YGADNNBXZCWIST-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000355521690 261346092 /nfs/dbraw/zinc/34/60/92/261346092.db2.gz YGADNNBXZCWIST-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362755132 262068541 /nfs/dbraw/zinc/06/85/41/262068541.db2.gz FENCPRRPZVZHHT-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362755132 262068543 /nfs/dbraw/zinc/06/85/43/262068543.db2.gz FENCPRRPZVZHHT-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000363001811 262093479 /nfs/dbraw/zinc/09/34/79/262093479.db2.gz PTAIFDJFIWWZQD-WCXIOVBPSA-N 1 3 322.497 0.669 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000363001811 262093482 /nfs/dbraw/zinc/09/34/82/262093482.db2.gz PTAIFDJFIWWZQD-WCXIOVBPSA-N 1 3 322.497 0.669 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C2CC2)C2CC[NH2+]CC2)CC1=O ZINC000370788085 262150410 /nfs/dbraw/zinc/15/04/10/262150410.db2.gz PQEBHXFOGVLFJI-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000416969870 262242948 /nfs/dbraw/zinc/24/29/48/262242948.db2.gz LRIUHUJCHYNUHK-AWEZNQCLSA-N 1 3 306.410 0.870 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417093455 262245468 /nfs/dbraw/zinc/24/54/68/262245468.db2.gz OKUOUVOTIPXLII-UONOGXRCSA-N 1 3 300.447 0.771 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417094876 262245509 /nfs/dbraw/zinc/24/55/09/262245509.db2.gz RNUNNRTVXNURQG-AWEZNQCLSA-N 1 3 300.447 0.771 20 0 DCADHO COCCN(C)CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417096773 262245661 /nfs/dbraw/zinc/24/56/61/262245661.db2.gz WHWSVIVXURQXEN-AWEZNQCLSA-N 1 3 300.447 0.644 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417086949 262245672 /nfs/dbraw/zinc/24/56/72/262245672.db2.gz DPKTZFHTLVIHKG-SOUVJXGZSA-N 1 3 312.458 0.642 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000417524059 262254207 /nfs/dbraw/zinc/25/42/07/262254207.db2.gz IZRMZTPXGBWAQM-OAHLLOKOSA-N 1 3 320.437 0.912 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000417742542 262259986 /nfs/dbraw/zinc/25/99/86/262259986.db2.gz BFHIURQHJONVJU-LSDHHAIUSA-N 1 3 313.490 0.557 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417757687 262260672 /nfs/dbraw/zinc/26/06/72/262260672.db2.gz UHYNNSRANMWKPW-OAHLLOKOSA-N 1 3 300.447 0.644 20 0 DCADHO COCCCN(C)CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417761722 262261335 /nfs/dbraw/zinc/26/13/35/262261335.db2.gz ZGLMFIKTMZBSBF-UHFFFAOYSA-N 1 3 300.447 0.644 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000417847567 262263521 /nfs/dbraw/zinc/26/35/21/262263521.db2.gz ZHDVWLRLOSRGIF-LSDHHAIUSA-N 1 3 318.421 0.233 20 0 DCADHO COCCNCCNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000418016728 262267987 /nfs/dbraw/zinc/26/79/87/262267987.db2.gz GFWHBLUWONWXCI-AWEZNQCLSA-N 1 3 300.447 0.786 20 0 DCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418114068 262270662 /nfs/dbraw/zinc/27/06/62/262270662.db2.gz KYULUZJGYGAXOX-ZNMIVQPWSA-N 1 3 312.458 0.866 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418192731 262272037 /nfs/dbraw/zinc/27/20/37/262272037.db2.gz MQRPSYANDUCWLH-CQSZACIVSA-N 1 3 321.425 0.559 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000418428819 262277928 /nfs/dbraw/zinc/27/79/28/262277928.db2.gz QZYHYJIAPPLFSU-HUUCEWRRSA-N 1 3 313.490 0.685 20 0 DCADHO COCCNCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000418513175 262279986 /nfs/dbraw/zinc/27/99/86/262279986.db2.gz URFHJUGZSCRAEV-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC[C@@H]2CN)([NH+](C)C)C1 ZINC000418923911 262298801 /nfs/dbraw/zinc/29/88/01/262298801.db2.gz NCAGUJAAFFGVRD-CKEIUWERSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418930591 262299746 /nfs/dbraw/zinc/29/97/46/262299746.db2.gz FTRVNBBVXULCFI-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419075884 262306629 /nfs/dbraw/zinc/30/66/29/262306629.db2.gz GUURLPPRQCTHTB-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419125244 262310845 /nfs/dbraw/zinc/31/08/45/262310845.db2.gz STHIRJXWSPVYHX-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419126981 262311635 /nfs/dbraw/zinc/31/16/35/262311635.db2.gz YTTFHESJOSXROR-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419153322 262313758 /nfs/dbraw/zinc/31/37/58/262313758.db2.gz PIEQXINXYWPZGX-TZMCWYRMSA-N 1 3 306.410 0.259 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419159806 262314519 /nfs/dbraw/zinc/31/45/19/262314519.db2.gz OPFFSONDUVKFLP-KBPBESRZSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419159978 262314754 /nfs/dbraw/zinc/31/47/54/262314754.db2.gz OUTSWLSYWPXWAI-AWEZNQCLSA-N 1 3 312.458 0.324 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419165001 262315708 /nfs/dbraw/zinc/31/57/08/262315708.db2.gz ZXMSHZMKMXWPBL-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419165885 262315893 /nfs/dbraw/zinc/31/58/93/262315893.db2.gz GULCJFMHNCWNRU-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000419235373 262321977 /nfs/dbraw/zinc/32/19/77/262321977.db2.gz YXDKEIUYDRCBED-HNNXBMFYSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419235729 262322151 /nfs/dbraw/zinc/32/21/51/262322151.db2.gz ZHJIZEBOGDZDQQ-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419280331 262323855 /nfs/dbraw/zinc/32/38/55/262323855.db2.gz FKULUPQNVLRHGQ-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419285391 262324397 /nfs/dbraw/zinc/32/43/97/262324397.db2.gz MINLOYMAZUOAGE-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419407436 262330622 /nfs/dbraw/zinc/33/06/22/262330622.db2.gz KCOZXPTVNKTOGE-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419411313 262331322 /nfs/dbraw/zinc/33/13/22/262331322.db2.gz BMRVNFGYQWHKIG-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419429394 262333102 /nfs/dbraw/zinc/33/31/02/262333102.db2.gz UQFNTNLMPJCZKU-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419592564 262338760 /nfs/dbraw/zinc/33/87/60/262338760.db2.gz SFPOBCSRXDHQCX-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419644965 262343781 /nfs/dbraw/zinc/34/37/81/262343781.db2.gz ONMSWBVVUMJZSC-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)C1 ZINC000419690747 262345096 /nfs/dbraw/zinc/34/50/96/262345096.db2.gz DUSXKHUPGCYYAQ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419697757 262346790 /nfs/dbraw/zinc/34/67/90/262346790.db2.gz ONVVYWFHEUGYND-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419696314 262346972 /nfs/dbraw/zinc/34/69/72/262346972.db2.gz MDHPPGLHNBNGDG-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419911864 262352480 /nfs/dbraw/zinc/35/24/80/262352480.db2.gz FYWQZEVEFBTGMQ-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419991556 262356277 /nfs/dbraw/zinc/35/62/77/262356277.db2.gz GVPWRPMTFVBUKE-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419996588 262356829 /nfs/dbraw/zinc/35/68/29/262356829.db2.gz JBRWNBZVXFOCMM-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420057665 262358475 /nfs/dbraw/zinc/35/84/75/262358475.db2.gz CUBUQMMNFDFJHJ-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420075906 262359393 /nfs/dbraw/zinc/35/93/93/262359393.db2.gz UOFOXSNPLPSEKZ-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000420133080 262362353 /nfs/dbraw/zinc/36/23/53/262362353.db2.gz YSEKEXXRZHNFNG-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420156603 262364609 /nfs/dbraw/zinc/36/46/09/262364609.db2.gz WEQUUNBWBABGNW-UHFFFAOYSA-N 1 3 324.469 0.603 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420157540 262364737 /nfs/dbraw/zinc/36/47/37/262364737.db2.gz OXSWSIXPKDCPPQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnccc1N ZINC000423400854 262443114 /nfs/dbraw/zinc/44/31/14/262443114.db2.gz VHPWYIKOCPTZOR-MFKMUULPSA-N 1 3 317.359 0.981 20 0 DCADHO CN(C)CCOCCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423786615 262462251 /nfs/dbraw/zinc/46/22/51/262462251.db2.gz BFWFQOOGFLFEES-UHFFFAOYSA-N 1 3 305.422 0.683 20 0 DCADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000357105264 271043315 /nfs/dbraw/zinc/04/33/15/271043315.db2.gz NSFSALOPWZLMDL-KBPBESRZSA-N 1 3 306.454 0.271 20 0 DCADHO CN(C)CCN(C)C(=O)CCCC(=O)N(C)CC[NH+](C)C ZINC000359554839 271125526 /nfs/dbraw/zinc/12/55/26/271125526.db2.gz YFUBOTWULCCDCJ-UHFFFAOYSA-N 1 3 300.447 0.197 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000418845345 271258321 /nfs/dbraw/zinc/25/83/21/271258321.db2.gz VARSHAMSKHOIRH-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419029748 271268043 /nfs/dbraw/zinc/26/80/43/271268043.db2.gz RZKUMJYZPUIJKX-SOUVJXGZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419033675 271269653 /nfs/dbraw/zinc/26/96/53/271269653.db2.gz YORVSKGFGTTZCI-DYEKYZERSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419137687 271273153 /nfs/dbraw/zinc/27/31/53/271273153.db2.gz PKHAAGXSAZEAKZ-MJBXVCDLSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN(C(=O)C(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000419403899 271289174 /nfs/dbraw/zinc/28/91/74/271289174.db2.gz FPMKAEFSBBCZTK-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N(C)C1CC1 ZINC000419577941 271309139 /nfs/dbraw/zinc/30/91/39/271309139.db2.gz DJPWTCRMOBARDA-JHJVBQTASA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N(C)C1CC1 ZINC000419578467 271309854 /nfs/dbraw/zinc/30/98/54/271309854.db2.gz DVHFPJHXXGCHCS-WBMJQRKESA-N 1 3 310.442 0.091 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419704170 271323573 /nfs/dbraw/zinc/32/35/73/271323573.db2.gz XKLUCHOINKABGD-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419816453 271327571 /nfs/dbraw/zinc/32/75/71/271327571.db2.gz IFKVPPFEKBXFIU-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H]1CN ZINC000419814946 271328187 /nfs/dbraw/zinc/32/81/87/271328187.db2.gz HKTSPNUTHVWIJS-TUVASFSCSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H]1CN ZINC000419814946 271328189 /nfs/dbraw/zinc/32/81/89/271328189.db2.gz HKTSPNUTHVWIJS-TUVASFSCSA-N 1 3 322.453 0.315 20 0 DCADHO NCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000419823741 271329674 /nfs/dbraw/zinc/32/96/74/271329674.db2.gz YDRCXPAHYUJNAV-AWEZNQCLSA-N 1 3 310.442 0.176 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419829394 271331243 /nfs/dbraw/zinc/33/12/43/271331243.db2.gz PSXPOJRUNDHAEJ-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419858807 271333468 /nfs/dbraw/zinc/33/34/68/271333468.db2.gz XRULBDSGCFBLRN-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000419885929 271337599 /nfs/dbraw/zinc/33/75/99/271337599.db2.gz ZJLWWQVRAIDNKK-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419908541 271342727 /nfs/dbraw/zinc/34/27/27/271342727.db2.gz YOVFKYNVJCIXBH-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419931662 271344147 /nfs/dbraw/zinc/34/41/47/271344147.db2.gz DBQLPALRMYMFKM-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000419942536 271346598 /nfs/dbraw/zinc/34/65/98/271346598.db2.gz GBTUNWORKSEKJY-MCIONIFRSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H](C)CN)[NH+]1CCCC1 ZINC000420015491 271351271 /nfs/dbraw/zinc/35/12/71/271351271.db2.gz QTDRAOGZQIYQBW-TZMCWYRMSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424126374 271398110 /nfs/dbraw/zinc/39/81/10/271398110.db2.gz BLNXMVWHUPIIDN-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471632032 272027294 /nfs/dbraw/zinc/02/72/94/272027294.db2.gz APJYTAUESXYXOY-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471632032 272027297 /nfs/dbraw/zinc/02/72/97/272027297.db2.gz APJYTAUESXYXOY-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO Cc1nc(N2CC(N(C)C)C2)c(N2CC([NH+](C)C)C2)nc1C ZINC000489392574 272060342 /nfs/dbraw/zinc/06/03/42/272060342.db2.gz AKPSXURKOXTVNS-UHFFFAOYSA-N 1 3 304.442 0.594 20 0 DCADHO CN(C)C/C=C/C(=O)NC1(CNC(=O)/C=C\C[NH+](C)C)CCC1 ZINC000492934091 272159920 /nfs/dbraw/zinc/15/99/20/272159920.db2.gz VMIONPDTWPMIFB-LDFAFZTOSA-N 1 3 322.453 0.377 20 0 DCADHO CN(C)C/C=C\C(=O)NCC1(NC(=O)/C=C/C[NH+](C)C)CCC1 ZINC000492934091 272159922 /nfs/dbraw/zinc/15/99/22/272159922.db2.gz VMIONPDTWPMIFB-LDFAFZTOSA-N 1 3 322.453 0.377 20 0 DCADHO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000494680348 272227570 /nfs/dbraw/zinc/22/75/70/272227570.db2.gz IGIODYJQMOGHGJ-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@](C)(O)CNC)C1 ZINC000496679394 272334586 /nfs/dbraw/zinc/33/45/86/272334586.db2.gz RYUSBJGJRHACNG-KCQAQPDRSA-N 1 3 301.431 0.803 20 0 DCADHO CCOC(=O)N1CCC[C@H]([C@H](C)NC[C@](C)(O)C[NH2+]C)C1 ZINC000496679394 272334588 /nfs/dbraw/zinc/33/45/88/272334588.db2.gz RYUSBJGJRHACNG-KCQAQPDRSA-N 1 3 301.431 0.803 20 0 DCADHO COC(=O)N1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000496937848 272355551 /nfs/dbraw/zinc/35/55/51/272355551.db2.gz KUNSTXLKZNCNGB-UHFFFAOYSA-N 1 3 312.458 0.833 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCc2ccc(C[NH3+])cc2)CC1=O ZINC000516653429 272442125 /nfs/dbraw/zinc/44/21/25/272442125.db2.gz CTDLXJASVAYKML-HNNXBMFYSA-N 1 3 318.421 0.172 20 0 DCADHO CCC[NH2+]CCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418487375 276266145 /nfs/dbraw/zinc/26/61/45/276266145.db2.gz IAZDBLBHSNOAHF-CQSZACIVSA-N 1 3 300.447 0.378 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000545884301 288003723 /nfs/dbraw/zinc/00/37/23/288003723.db2.gz DBSABUASVAWBPJ-INIZCTEOSA-N 1 3 310.442 0.227 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000546591587 288019866 /nfs/dbraw/zinc/01/98/66/288019866.db2.gz BJEKTUWZHRRSQO-IIAWOOMASA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000546591587 288019867 /nfs/dbraw/zinc/01/98/67/288019867.db2.gz BJEKTUWZHRRSQO-IIAWOOMASA-N 1 3 312.458 0.473 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000546592539 288020303 /nfs/dbraw/zinc/02/03/03/288020303.db2.gz ZWGQJMANFAFGDY-QGZVFWFLSA-N 1 3 324.469 0.759 20 0 DCADHO CCN(C)CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000246549668 279032545 /nfs/dbraw/zinc/03/25/45/279032545.db2.gz YFZPPQDYRDLVPP-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)CCNC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000246549668 279032547 /nfs/dbraw/zinc/03/25/47/279032547.db2.gz YFZPPQDYRDLVPP-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000340783298 279306258 /nfs/dbraw/zinc/30/62/58/279306258.db2.gz WAZNMHURTLXJAO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CN1C1CC1 ZINC000164164778 280002241 /nfs/dbraw/zinc/00/22/41/280002241.db2.gz PZDRIMGIDWYCED-KBPBESRZSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CN1C1CC1 ZINC000164164778 280002242 /nfs/dbraw/zinc/00/22/42/280002242.db2.gz PZDRIMGIDWYCED-KBPBESRZSA-N 1 3 324.469 0.710 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000263225953 280274157 /nfs/dbraw/zinc/27/41/57/280274157.db2.gz GMZZNWKWVLFKPZ-YDHLFZDLSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000263225953 280274162 /nfs/dbraw/zinc/27/41/62/280274162.db2.gz GMZZNWKWVLFKPZ-YDHLFZDLSA-N 1 3 312.458 0.323 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)C23CCCN2CCC3)CC12CCOCC2 ZINC000563116938 288633727 /nfs/dbraw/zinc/63/37/27/288633727.db2.gz QCZOZMQYWBPSQV-AWEZNQCLSA-N 1 3 307.438 0.829 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CNCc2ccccc21 ZINC000563809766 288705385 /nfs/dbraw/zinc/70/53/85/288705385.db2.gz UWBMXEXAAOODDD-MRXNPFEDSA-N 1 3 302.422 0.285 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC[N@@H+]2CCCC2(C)C)CC1=O ZINC000457054780 289157485 /nfs/dbraw/zinc/15/74/85/289157485.db2.gz LQAWFBDVHULDTP-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC[N@H+]2CCCC2(C)C)CC1=O ZINC000457054780 289157487 /nfs/dbraw/zinc/15/74/87/289157487.db2.gz LQAWFBDVHULDTP-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)NCCCN3CC[NH2+]CC3)[C@H]2C1 ZINC000331371173 290229854 /nfs/dbraw/zinc/22/98/54/290229854.db2.gz DQKDGYZMNZOCHO-GJZGRUSLSA-N 1 3 309.458 0.017 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000583824179 337337215 /nfs/dbraw/zinc/33/72/15/337337215.db2.gz VNQXONAFQNZHJI-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567741880 1160469221 /nfs/dbraw/zinc/46/92/21/1160469221.db2.gz JCKHCOZYYWFTSH-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CN(CCCn1c2ccccc2[nH]c1=O)CCN1CC[NH2+]CC1 ZINC000321446205 546034390 /nfs/dbraw/zinc/03/43/90/546034390.db2.gz WOPRIVQZLJFFDC-UHFFFAOYSA-N 1 3 317.437 0.557 20 0 DCADHO Cn1cc(C(=O)N2CCNC(C)(C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333360488 546078614 /nfs/dbraw/zinc/07/86/14/546078614.db2.gz CTVPNHQQCOMNRP-GFCCVEGCSA-N 1 3 305.426 0.711 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CCC[NH2+][C@@H]1C)CN1CCN(C)CC1 ZINC000333372949 546079372 /nfs/dbraw/zinc/07/93/72/546079372.db2.gz MSDRNPMOZVHENO-KFWWJZLASA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H]1C ZINC000665761683 546394500 /nfs/dbraw/zinc/39/45/00/546394500.db2.gz MVERQEMFRBUPBD-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H]1C ZINC000665761683 546394506 /nfs/dbraw/zinc/39/45/06/546394506.db2.gz MVERQEMFRBUPBD-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254630 546373267 /nfs/dbraw/zinc/37/32/67/546373267.db2.gz QYCHZMNYBIDQSI-GJZGRUSLSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254630 546373270 /nfs/dbraw/zinc/37/32/70/546373270.db2.gz QYCHZMNYBIDQSI-GJZGRUSLSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc[nH]n1 ZINC000665757226 546393834 /nfs/dbraw/zinc/39/38/34/546393834.db2.gz CDYCMDNZXQDXHR-ZDUSSCGKSA-N 1 3 310.446 0.823 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc[nH]n1 ZINC000665757226 546393836 /nfs/dbraw/zinc/39/38/36/546393836.db2.gz CDYCMDNZXQDXHR-ZDUSSCGKSA-N 1 3 310.446 0.823 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)C[C@H]1C ZINC000665761710 546394881 /nfs/dbraw/zinc/39/48/81/546394881.db2.gz NROYEPSXNKTTQA-MJBXVCDLSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)C[C@H]1C ZINC000665761710 546394884 /nfs/dbraw/zinc/39/48/84/546394884.db2.gz NROYEPSXNKTTQA-MJBXVCDLSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1(O)CCC1 ZINC000665760516 546395030 /nfs/dbraw/zinc/39/50/30/546395030.db2.gz JKQZQLKGGSBXND-AWEZNQCLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1(O)CCC1 ZINC000665760516 546395033 /nfs/dbraw/zinc/39/50/33/546395033.db2.gz JKQZQLKGGSBXND-AWEZNQCLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(CO)CCCC1 ZINC000665759744 546395577 /nfs/dbraw/zinc/39/55/77/546395577.db2.gz NZFHIOYUAJJMBJ-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(CO)CCCC1 ZINC000665759744 546395580 /nfs/dbraw/zinc/39/55/80/546395580.db2.gz NZFHIOYUAJJMBJ-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@](F)(CO)C1 ZINC000665762356 546396785 /nfs/dbraw/zinc/39/67/85/546396785.db2.gz BKCPYFRJDYCVHS-DZGCQCFKSA-N 1 3 318.437 0.374 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@](F)(CO)C1 ZINC000665762356 546396790 /nfs/dbraw/zinc/39/67/90/546396790.db2.gz BKCPYFRJDYCVHS-DZGCQCFKSA-N 1 3 318.437 0.374 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000666922665 546528090 /nfs/dbraw/zinc/52/80/90/546528090.db2.gz VLWBMIWCWLHQSA-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000666922665 546528091 /nfs/dbraw/zinc/52/80/91/546528091.db2.gz VLWBMIWCWLHQSA-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO C[NH+](C)CC(C)(C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666978156 546539844 /nfs/dbraw/zinc/53/98/44/546539844.db2.gz RZWNOULEWWVIDR-AWEZNQCLSA-N 1 3 312.458 0.879 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000668670352 546817748 /nfs/dbraw/zinc/81/77/48/546817748.db2.gz KLRQHSFSJCSSAX-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000668683495 546823119 /nfs/dbraw/zinc/82/31/19/546823119.db2.gz XCSBBKYUWDOMKI-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000668933613 546885414 /nfs/dbraw/zinc/88/54/14/546885414.db2.gz IPUHOZUXICEKHR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]1CN(C(=O)NCCCN(C)CCOC)CC[C@@H]1[NH3+] ZINC000669389044 546965429 /nfs/dbraw/zinc/96/54/29/546965429.db2.gz YMMJYCYIGWJZBI-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO COC[C@]1(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCC[NH2+]1 ZINC000669524674 546984876 /nfs/dbraw/zinc/98/48/76/546984876.db2.gz VBRFOWWHYFQPDC-DVOMOZLQSA-N 1 3 310.442 0.679 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CCC[NH2+]CC2)CCCO1 ZINC000669570913 546993238 /nfs/dbraw/zinc/99/32/38/546993238.db2.gz ONHLYDJFFGRLGB-LSDHHAIUSA-N 1 3 312.458 0.929 20 0 DCADHO CN1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000670546062 547115543 /nfs/dbraw/zinc/11/55/43/547115543.db2.gz JGSUGEYOCZTBOP-GOOCMWNKSA-N 1 3 322.453 0.328 20 0 DCADHO CN1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000670546062 547115547 /nfs/dbraw/zinc/11/55/47/547115547.db2.gz JGSUGEYOCZTBOP-GOOCMWNKSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1[NH+](C)C ZINC000670782892 547128252 /nfs/dbraw/zinc/12/82/52/547128252.db2.gz QNDMPGCMCSOGNQ-DOMZBBRYSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672010904 547311658 /nfs/dbraw/zinc/31/16/58/547311658.db2.gz YYSIXLLZMJJDTJ-IPYPFGDCSA-N 1 3 324.469 0.241 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672308635 547348686 /nfs/dbraw/zinc/34/86/86/547348686.db2.gz VXJFBNDJFZTQQL-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672594396 547384436 /nfs/dbraw/zinc/38/44/36/547384436.db2.gz YZJXGESLMAHBCX-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000672594396 547384440 /nfs/dbraw/zinc/38/44/40/547384440.db2.gz YZJXGESLMAHBCX-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000672696121 547394360 /nfs/dbraw/zinc/39/43/60/547394360.db2.gz NOCLJKJKMGEENO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000673336875 547471065 /nfs/dbraw/zinc/47/10/65/547471065.db2.gz CDDRZKIYAPTSBQ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000673336875 547471070 /nfs/dbraw/zinc/47/10/70/547471070.db2.gz CDDRZKIYAPTSBQ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000673520241 547495329 /nfs/dbraw/zinc/49/53/29/547495329.db2.gz COCMNUBWRBDOKO-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CCCN2CCOCC2)CC1 ZINC000678081082 547945439 /nfs/dbraw/zinc/94/54/39/547945439.db2.gz MMEGBAAHENWNOW-INIZCTEOSA-N 1 3 324.469 0.123 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCCN2CCOCC2)CC1 ZINC000678081082 547945443 /nfs/dbraw/zinc/94/54/43/547945443.db2.gz MMEGBAAHENWNOW-INIZCTEOSA-N 1 3 324.469 0.123 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C3CC3)C2)CC1 ZINC000683851395 548525083 /nfs/dbraw/zinc/52/50/83/548525083.db2.gz USKBEZAKSIYXCX-PBHICJAKSA-N 1 3 320.481 0.898 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C3CC3)C2)CC1 ZINC000683851395 548525086 /nfs/dbraw/zinc/52/50/86/548525086.db2.gz USKBEZAKSIYXCX-PBHICJAKSA-N 1 3 320.481 0.898 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C3CC3)C2)CC1 ZINC000683851395 548525089 /nfs/dbraw/zinc/52/50/89/548525089.db2.gz USKBEZAKSIYXCX-PBHICJAKSA-N 1 3 320.481 0.898 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978151314 660490834 /nfs/dbraw/zinc/49/08/34/660490834.db2.gz UNKKLXYVKQNBCH-LVQVYYBASA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000978151314 660490836 /nfs/dbraw/zinc/49/08/36/660490836.db2.gz UNKKLXYVKQNBCH-LVQVYYBASA-N 1 3 309.454 0.536 20 0 DCADHO CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978554813 660559124 /nfs/dbraw/zinc/55/91/24/660559124.db2.gz JBGDVPOCOUDGIF-UEIJKTBSSA-N 1 3 319.449 0.554 20 0 DCADHO CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978554813 660559126 /nfs/dbraw/zinc/55/91/26/660559126.db2.gz JBGDVPOCOUDGIF-UEIJKTBSSA-N 1 3 319.449 0.554 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000980799881 661015627 /nfs/dbraw/zinc/01/56/27/661015627.db2.gz NCUANQLTPGFQHF-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000981843390 661232614 /nfs/dbraw/zinc/23/26/14/661232614.db2.gz ZWPBNSNZGRMWRR-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000981843390 661232615 /nfs/dbraw/zinc/23/26/15/661232615.db2.gz ZWPBNSNZGRMWRR-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCCO)C3)C1 ZINC000982013075 661272759 /nfs/dbraw/zinc/27/27/59/661272759.db2.gz KJHIHMUKAJEPPY-HNNXBMFYSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCCO)C3)C1 ZINC000982013075 661272760 /nfs/dbraw/zinc/27/27/60/661272760.db2.gz KJHIHMUKAJEPPY-HNNXBMFYSA-N 1 3 309.454 0.635 20 0 DCADHO C[NH+](C)[C@]1(CNC(=O)c2[nH]nc3c2CNCC3)CCSC1 ZINC000446289199 665476827 /nfs/dbraw/zinc/47/68/27/665476827.db2.gz PRMLCCFQFAGNKC-AWEZNQCLSA-N 1 3 309.439 0.223 20 0 DCADHO COCCC1(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC[NH2+]CC1 ZINC000891559275 657483531 /nfs/dbraw/zinc/48/35/31/657483531.db2.gz DEIPLDBJGUWWPS-CYBMUJFWSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020407081 657531371 /nfs/dbraw/zinc/53/13/71/657531371.db2.gz NNMWAWAITQMYJE-DSZOFWSKSA-N 1 3 319.449 0.887 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970478859 657552751 /nfs/dbraw/zinc/55/27/51/657552751.db2.gz OTGPMHOWXMIZRE-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970478859 657552760 /nfs/dbraw/zinc/55/27/60/657552760.db2.gz OTGPMHOWXMIZRE-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO COc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)ccn1 ZINC000970720455 657827286 /nfs/dbraw/zinc/82/72/86/657827286.db2.gz UDGAJSZHLRLOTH-OAHLLOKOSA-N 1 3 318.421 0.877 20 0 DCADHO CN1CCN(CCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1(C)C ZINC000891880986 657869714 /nfs/dbraw/zinc/86/97/14/657869714.db2.gz RHHPGFUQGKZMTA-GJZGRUSLSA-N 1 3 323.485 0.548 20 0 DCADHO CCN(C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000891885265 657878254 /nfs/dbraw/zinc/87/82/54/657878254.db2.gz QZDNCASSGVLDMR-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001020588913 658159066 /nfs/dbraw/zinc/15/90/66/658159066.db2.gz QJAVDWIJFQCNDD-BPLDGKMQSA-N 1 3 305.426 0.499 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001020588983 658161482 /nfs/dbraw/zinc/16/14/82/658161482.db2.gz TVXWADBSXTWRQX-IHRRRGAJSA-N 1 3 305.426 0.499 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020589723 658169188 /nfs/dbraw/zinc/16/91/88/658169188.db2.gz AIQWRVMDOOCVSH-QEJZJMRPSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001020589723 658169192 /nfs/dbraw/zinc/16/91/92/658169192.db2.gz AIQWRVMDOOCVSH-QEJZJMRPSA-N 1 3 317.437 0.864 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC000969844860 658202964 /nfs/dbraw/zinc/20/29/64/658202964.db2.gz SBBZEBOEEWQIKF-GDBMZVCRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972674306 658222500 /nfs/dbraw/zinc/22/25/00/658222500.db2.gz NUFGLIFDKMDDFR-WBVHZDCISA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972674306 658222508 /nfs/dbraw/zinc/22/25/08/658222508.db2.gz NUFGLIFDKMDDFR-WBVHZDCISA-N 1 3 309.454 0.897 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)NC[C@H]1C[NH2+]CCCO1 ZINC000892170401 658260281 /nfs/dbraw/zinc/26/02/81/658260281.db2.gz UOQPIAJPAWVOIG-JKSUJKDBSA-N 1 3 318.421 0.379 20 0 DCADHO C[C@H](O)CN1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969946607 658283390 /nfs/dbraw/zinc/28/33/90/658283390.db2.gz CPHCGGABIWYSDT-KBPBESRZSA-N 1 3 309.454 0.680 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001023890488 658298842 /nfs/dbraw/zinc/29/88/42/658298842.db2.gz ATJMYRHFCFXBND-JSGCOSHPSA-N 1 3 323.466 0.961 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022712809 658358844 /nfs/dbraw/zinc/35/88/44/658358844.db2.gz AIQWRVMDOOCVSH-AEGPPILISA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001022712809 658358852 /nfs/dbraw/zinc/35/88/52/658358852.db2.gz AIQWRVMDOOCVSH-AEGPPILISA-N 1 3 317.437 0.864 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC000970026831 658376225 /nfs/dbraw/zinc/37/62/25/658376225.db2.gz JDGFCZMXEWCCPL-HOCLYGCPSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC000970026831 658376237 /nfs/dbraw/zinc/37/62/37/658376237.db2.gz JDGFCZMXEWCCPL-HOCLYGCPSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022721664 658387233 /nfs/dbraw/zinc/38/72/33/658387233.db2.gz YHIHIZHVDRTKDQ-RZFFKMDDSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022721664 658387247 /nfs/dbraw/zinc/38/72/47/658387247.db2.gz YHIHIZHVDRTKDQ-RZFFKMDDSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022721232 658388062 /nfs/dbraw/zinc/38/80/62/658388062.db2.gz VKPVKGRLFKQRJJ-QPKOPYBWSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022721232 658388072 /nfs/dbraw/zinc/38/80/72/658388072.db2.gz VKPVKGRLFKQRJJ-QPKOPYBWSA-N 1 3 306.410 0.918 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001024016941 658400059 /nfs/dbraw/zinc/40/00/59/658400059.db2.gz RBEPSDALTHPDQW-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001024070608 658420539 /nfs/dbraw/zinc/42/05/39/658420539.db2.gz UFFGZTDPXJRPJS-GJEMEMOUSA-N 1 3 307.438 0.698 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1)C(N)=O ZINC001022808702 658601879 /nfs/dbraw/zinc/60/18/79/658601879.db2.gz YZUFZGVSAFQGIY-LJISPDSOSA-N 1 3 324.469 0.750 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891439979 658767326 /nfs/dbraw/zinc/76/73/26/658767326.db2.gz SSCXVTVKJUINTP-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]3CO)CC2)CC1 ZINC000892522023 658817993 /nfs/dbraw/zinc/81/79/93/658817993.db2.gz NCYBYEOBPDMXFT-OAHLLOKOSA-N 1 3 310.442 0.321 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001022068975 658829554 /nfs/dbraw/zinc/82/95/54/658829554.db2.gz FEAMPUUBXLCZSF-XHSDSOJGSA-N 1 3 319.453 0.993 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022973405 658879915 /nfs/dbraw/zinc/87/99/15/658879915.db2.gz JRDRNSLPSKGBHM-MELADBBJSA-N 1 3 320.441 0.377 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022973405 658879923 /nfs/dbraw/zinc/87/99/23/658879923.db2.gz JRDRNSLPSKGBHM-MELADBBJSA-N 1 3 320.441 0.377 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891513359 658898999 /nfs/dbraw/zinc/89/89/99/658898999.db2.gz AUMBKEBISXACOB-NYTXWWLZSA-N 1 3 308.426 0.433 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1)C1CCC1 ZINC000999365705 665637459 /nfs/dbraw/zinc/63/74/59/665637459.db2.gz RWVTVPMYKAWLPA-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000973958320 659087996 /nfs/dbraw/zinc/08/79/96/659087996.db2.gz KCIRNDXEUXJUOM-KBXIAJHMSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000973958320 659087999 /nfs/dbraw/zinc/08/79/99/659087999.db2.gz KCIRNDXEUXJUOM-KBXIAJHMSA-N 1 3 322.453 0.328 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027216578 659088187 /nfs/dbraw/zinc/08/81/87/659088187.db2.gz BDPCJZJTUGPVHQ-CQSZACIVSA-N 1 3 305.426 0.454 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001027216981 659088997 /nfs/dbraw/zinc/08/89/97/659088997.db2.gz CRQFWBQTRVPVFZ-HOTGVXAUSA-N 1 3 309.454 0.947 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217035 659089489 /nfs/dbraw/zinc/08/94/89/659089489.db2.gz FCYIBAQOSVPUAA-OAHLLOKOSA-N 1 3 319.453 0.762 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001025160298 659096941 /nfs/dbraw/zinc/09/69/41/659096941.db2.gz FVTRLVSMUBAWFA-MRXNPFEDSA-N 1 3 319.453 0.987 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC000999492285 665653387 /nfs/dbraw/zinc/65/33/87/665653387.db2.gz ZSPPLHAKBTXLQQ-GOEBONIOSA-N 1 3 321.469 0.883 20 0 DCADHO CC1CCN(CC(=O)N(C)C2CC([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC000999599057 665662776 /nfs/dbraw/zinc/66/27/76/665662776.db2.gz QAAIWJZIRWCXKG-NRXISQOPSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999681492 665668606 /nfs/dbraw/zinc/66/86/06/665668606.db2.gz HHSPDECWNPYQQA-IYXRBSQSSA-N 1 3 320.441 0.236 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999681492 665668607 /nfs/dbraw/zinc/66/86/07/665668607.db2.gz HHSPDECWNPYQQA-IYXRBSQSSA-N 1 3 320.441 0.236 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001026733933 659490739 /nfs/dbraw/zinc/49/07/39/659490739.db2.gz KCLZGOAOMCIZLF-WCQYABFASA-N 1 3 309.439 0.570 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799132 659565633 /nfs/dbraw/zinc/56/56/33/659565633.db2.gz YXDYMMQPRPUQRW-ARKGTOAJSA-N 1 3 305.422 0.306 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799132 659565635 /nfs/dbraw/zinc/56/56/35/659565635.db2.gz YXDYMMQPRPUQRW-ARKGTOAJSA-N 1 3 305.422 0.306 20 0 DCADHO COc1cc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001019771209 659608438 /nfs/dbraw/zinc/60/84/38/659608438.db2.gz DMNYFFOLCRTYGZ-GJZGRUSLSA-N 1 3 318.421 0.732 20 0 DCADHO COc1cc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)ccn1 ZINC001019771209 659608440 /nfs/dbraw/zinc/60/84/40/659608440.db2.gz DMNYFFOLCRTYGZ-GJZGRUSLSA-N 1 3 318.421 0.732 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3cnns3)C2)CC[N@@H+]1C ZINC001026853555 659611999 /nfs/dbraw/zinc/61/19/99/659611999.db2.gz KOIGHSAYSXQCDE-YRGRVCCFSA-N 1 3 323.466 0.816 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3cnns3)C2)CC[N@H+]1C ZINC001026853555 659612001 /nfs/dbraw/zinc/61/20/01/659612001.db2.gz KOIGHSAYSXQCDE-YRGRVCCFSA-N 1 3 323.466 0.816 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019820752 659619494 /nfs/dbraw/zinc/61/94/94/659619494.db2.gz XEFSIWQLXASBKQ-ZDUSSCGKSA-N 1 3 304.394 0.038 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001026891539 659626335 /nfs/dbraw/zinc/62/63/35/659626335.db2.gz XOWBGCWFOIQKOO-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893019048 659678929 /nfs/dbraw/zinc/67/89/29/659678929.db2.gz IZMZTEIPQHRNCD-VNQPRFMTSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893019048 659678931 /nfs/dbraw/zinc/67/89/31/659678931.db2.gz IZMZTEIPQHRNCD-VNQPRFMTSA-N 1 3 322.453 0.464 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001027036047 659725498 /nfs/dbraw/zinc/72/54/98/659725498.db2.gz QIDRFYXNOKDSRH-CQSZACIVSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C)OC ZINC001026043429 659759246 /nfs/dbraw/zinc/75/92/46/659759246.db2.gz SMUGWMLEHHNWIG-NBFUAULTSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C)OC ZINC001026043429 659759247 /nfs/dbraw/zinc/75/92/47/659759247.db2.gz SMUGWMLEHHNWIG-NBFUAULTSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1)OC ZINC001026043567 659759857 /nfs/dbraw/zinc/75/98/57/659759857.db2.gz NBYHBPUUHBMXNS-NPCUJANDSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1)OC ZINC001026043567 659759860 /nfs/dbraw/zinc/75/98/60/659759860.db2.gz NBYHBPUUHBMXNS-NPCUJANDSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]32)C1 ZINC001026043621 659759944 /nfs/dbraw/zinc/75/99/44/659759944.db2.gz UZECFMYPMDFTCO-JLOCXQCDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]32)C1 ZINC001026043621 659759952 /nfs/dbraw/zinc/75/99/52/659759952.db2.gz UZECFMYPMDFTCO-JLOCXQCDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3nncn3C)C2)C1 ZINC001027065031 659762530 /nfs/dbraw/zinc/76/25/30/659762530.db2.gz PDIMNYWJYFANCW-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3nncn3C)C2)C1 ZINC001027065031 659762532 /nfs/dbraw/zinc/76/25/32/659762532.db2.gz PDIMNYWJYFANCW-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091589 659798473 /nfs/dbraw/zinc/79/84/73/659798473.db2.gz QBAZFVPWYPLOCC-LBPRGKRZSA-N 1 3 302.382 0.324 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027092047 659798936 /nfs/dbraw/zinc/79/89/36/659798936.db2.gz ZPWOMMJVSUNTIJ-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000076108 665735896 /nfs/dbraw/zinc/73/58/96/665735896.db2.gz DBVZEFIJLGWBRK-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001000204034 665778646 /nfs/dbraw/zinc/77/86/46/665778646.db2.gz YMFWJVAZYSCSEC-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001000229814 665789859 /nfs/dbraw/zinc/78/98/59/665789859.db2.gz XQYUBUFHFLKCIC-KGLIPLIRSA-N 1 3 308.430 0.199 20 0 DCADHO O=C(NC[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698627 661765100 /nfs/dbraw/zinc/76/51/00/661765100.db2.gz OHBWJKAAQCLEAN-JBCIKUTRSA-N 1 3 319.449 0.698 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698627 661765102 /nfs/dbraw/zinc/76/51/02/661765102.db2.gz OHBWJKAAQCLEAN-JBCIKUTRSA-N 1 3 319.449 0.698 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN([C@H]3CCCNC3=O)C2)CC1 ZINC001028779332 661821728 /nfs/dbraw/zinc/82/17/28/661821728.db2.gz ZDDMPAMKBDZRJX-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)S(=O)(=O)[C@@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000894390380 661953953 /nfs/dbraw/zinc/95/39/53/661953953.db2.gz COZOXFZCNDPDOQ-CQSZACIVSA-N 1 3 303.472 0.684 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCN(C)CCOC ZINC000726907013 661962522 /nfs/dbraw/zinc/96/25/22/661962522.db2.gz AOHZDJZHOIOKPP-CYBMUJFWSA-N 1 3 302.488 0.513 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCN(C)CCOC ZINC000726907013 661962523 /nfs/dbraw/zinc/96/25/23/661962523.db2.gz AOHZDJZHOIOKPP-CYBMUJFWSA-N 1 3 302.488 0.513 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000262065686 662009757 /nfs/dbraw/zinc/00/97/57/662009757.db2.gz OLXZCKJTVKDTSQ-ZDUSSCGKSA-N 1 3 313.423 0.096 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3nccn3C)C2)CC[N@@H+]1C ZINC000983705501 662010830 /nfs/dbraw/zinc/01/08/30/662010830.db2.gz WLOSNJLHFVSJMJ-KBUPBQIOSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3nccn3C)C2)CC[N@H+]1C ZINC000983705501 662010832 /nfs/dbraw/zinc/01/08/32/662010832.db2.gz WLOSNJLHFVSJMJ-KBUPBQIOSA-N 1 3 319.453 0.745 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000378742 665831928 /nfs/dbraw/zinc/83/19/28/665831928.db2.gz PFCCSHFZUNNSIF-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000378742 665831929 /nfs/dbraw/zinc/83/19/29/665831929.db2.gz PFCCSHFZUNNSIF-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1C[NH+](C2CCOCC2)C1 ZINC000895989906 662233482 /nfs/dbraw/zinc/23/34/82/662233482.db2.gz FBBOCTHUNWVVEH-HOTGVXAUSA-N 1 3 323.437 0.077 20 0 DCADHO CCO[C@@H](CNC(=O)N(C)[C@H]1CCCN(C)C1)C[NH+](C)C ZINC000896681575 662304096 /nfs/dbraw/zinc/30/40/96/662304096.db2.gz FJSBBEDQQKCDHG-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000985647968 662495593 /nfs/dbraw/zinc/49/55/93/662495593.db2.gz SLFWZAZBGYMIBG-STQMWFEESA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000985647968 662495595 /nfs/dbraw/zinc/49/55/95/662495595.db2.gz SLFWZAZBGYMIBG-STQMWFEESA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000985655138 662496936 /nfs/dbraw/zinc/49/69/36/662496936.db2.gz SCEIPWGYXCLPGZ-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000985655138 662496937 /nfs/dbraw/zinc/49/69/37/662496937.db2.gz SCEIPWGYXCLPGZ-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO C[N@H+](C[C@@H]1CCOC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904445 662553996 /nfs/dbraw/zinc/55/39/96/662553996.db2.gz WLDLYXVQCVKPMP-CVEARBPZSA-N 1 3 309.454 0.899 20 0 DCADHO C[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904445 662553998 /nfs/dbraw/zinc/55/39/98/662553998.db2.gz WLDLYXVQCVKPMP-CVEARBPZSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987058888 662638852 /nfs/dbraw/zinc/63/88/52/662638852.db2.gz NPZWOCYJKUQVKH-JSGCOSHPSA-N 1 3 302.382 0.428 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC000987524470 662685701 /nfs/dbraw/zinc/68/57/01/662685701.db2.gz LYZYFVSUVDORMT-GOEBONIOSA-N 1 3 319.453 0.637 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000664802 665907074 /nfs/dbraw/zinc/90/70/74/665907074.db2.gz QHZSODISUSPOMD-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000664802 665907077 /nfs/dbraw/zinc/90/70/77/665907077.db2.gz QHZSODISUSPOMD-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000729504099 662892382 /nfs/dbraw/zinc/89/23/82/662892382.db2.gz GJXAHXHEXMHKNN-GJZGRUSLSA-N 1 3 312.458 0.879 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000729504099 662892384 /nfs/dbraw/zinc/89/23/84/662892384.db2.gz GJXAHXHEXMHKNN-GJZGRUSLSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H]1C[C@H](NCCF)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000989544305 662957145 /nfs/dbraw/zinc/95/71/45/662957145.db2.gz QPBBDEHCLGPBQR-JSGCOSHPSA-N 1 3 311.405 0.607 20 0 DCADHO C[C@@H]1C[C@@H](NCCF)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618289 662965012 /nfs/dbraw/zinc/96/50/12/662965012.db2.gz HJNBTTGDYSKWBP-CHWSQXEVSA-N 1 3 301.406 0.646 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)CN1C(=O)CN1CCCC1 ZINC000989796517 662980211 /nfs/dbraw/zinc/98/02/11/662980211.db2.gz NFXRVRHWUHJNAE-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[NH+](C)CCCNC(=S)NC[C@@H]1CCN1C1CCOCC1 ZINC000899600733 663156512 /nfs/dbraw/zinc/15/65/12/663156512.db2.gz BCRYLOYMTGCFCB-AWEZNQCLSA-N 1 3 314.499 0.656 20 0 DCADHO C[NH+](C)CCCNC(=S)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000899664959 663161653 /nfs/dbraw/zinc/16/16/53/663161653.db2.gz VUEAOBYRNDYOBO-ZIAGYGMSSA-N 1 3 314.499 0.344 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000916900 665960598 /nfs/dbraw/zinc/96/05/98/665960598.db2.gz JUNXHMAFDJCWFW-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000916900 665960600 /nfs/dbraw/zinc/96/06/00/665960600.db2.gz JUNXHMAFDJCWFW-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001000920460 665961736 /nfs/dbraw/zinc/96/17/36/665961736.db2.gz RNOSCJIBOPYNIE-AWEZNQCLSA-N 1 3 305.426 0.597 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000903479859 663456483 /nfs/dbraw/zinc/45/64/83/663456483.db2.gz YCCONMWEQKSLGF-UHDSXZAQSA-N 1 3 323.481 0.974 20 0 DCADHO [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)C2CNC2)CC1 ZINC000903530424 663463075 /nfs/dbraw/zinc/46/30/75/663463075.db2.gz DEBWRUAUBKNLIF-UHFFFAOYSA-N 1 3 309.435 0.281 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903759792 663479759 /nfs/dbraw/zinc/47/97/59/663479759.db2.gz QJNUGKBCIKZNOC-HZSPNIEDSA-N 1 3 322.453 0.267 20 0 DCADHO CNS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903816341 663485601 /nfs/dbraw/zinc/48/56/01/663485601.db2.gz YLRMCZDUTGLNCV-CYBMUJFWSA-N 1 3 303.472 0.909 20 0 DCADHO CCOC(=O)[C@@H]1[C@@H]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@@H]21 ZINC000903786143 663484835 /nfs/dbraw/zinc/48/48/35/663484835.db2.gz FGXYLVIEVWLCIO-SVZOTFJBSA-N 1 3 308.422 0.886 20 0 DCADHO CNS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903816341 663485600 /nfs/dbraw/zinc/48/56/00/663485600.db2.gz YLRMCZDUTGLNCV-CYBMUJFWSA-N 1 3 303.472 0.909 20 0 DCADHO CN(C)[S@@](C)(=O)=NCC1CCN(CCOCC[NH3+])CC1 ZINC000903872541 663490994 /nfs/dbraw/zinc/49/09/94/663490994.db2.gz ZWYHKXFCWMHZAR-FQEVSTJZSA-N 1 3 306.476 0.248 20 0 DCADHO COC(=O)C[C@H]1CCCN1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903894729 663493676 /nfs/dbraw/zinc/49/36/76/663493676.db2.gz CTCKLXNYUKJTDC-DZGCQCFKSA-N 1 3 308.426 0.873 20 0 DCADHO COCCn1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cn1 ZINC000904392318 663511317 /nfs/dbraw/zinc/51/13/17/663511317.db2.gz PKSYEKNICRKYOT-OAHLLOKOSA-N 1 3 308.426 0.859 20 0 DCADHO CN1CCN(c2ncc(CN3CC[C@H](CC[NH3+])C3)cn2)CC1 ZINC000904405175 663512325 /nfs/dbraw/zinc/51/23/25/663512325.db2.gz GKFGGSSSHVFACD-AWEZNQCLSA-N 1 3 304.442 0.399 20 0 DCADHO C[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[C@H]1C[NH3+] ZINC000904409930 663512708 /nfs/dbraw/zinc/51/27/08/663512708.db2.gz BEUWFDDFXQMGBV-HOCLYGCPSA-N 1 3 318.469 0.645 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905070224 663530416 /nfs/dbraw/zinc/53/04/16/663530416.db2.gz IFBGGSOZDBHGML-PMPSAXMXSA-N 1 3 300.443 0.599 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905070224 663530418 /nfs/dbraw/zinc/53/04/18/663530418.db2.gz IFBGGSOZDBHGML-PMPSAXMXSA-N 1 3 300.443 0.599 20 0 DCADHO C[NH+](C)CCOc1cc(CNC[C@H](O)C2(O)CCCC2)ccn1 ZINC000905191388 663537681 /nfs/dbraw/zinc/53/76/81/663537681.db2.gz OFPATWWTTLRCSB-HNNXBMFYSA-N 1 3 323.437 0.778 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001001006448 665974300 /nfs/dbraw/zinc/97/43/00/665974300.db2.gz GPWFNFBTXRXDDG-DZGCQCFKSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN2CCN(CC)CC2)C1 ZINC000906673386 663629653 /nfs/dbraw/zinc/62/96/53/663629653.db2.gz SWNFPTJOFPNIDE-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN2CCN(CC)CC2)C1 ZINC000906673386 663629655 /nfs/dbraw/zinc/62/96/55/663629655.db2.gz SWNFPTJOFPNIDE-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911054831 663972985 /nfs/dbraw/zinc/97/29/85/663972985.db2.gz LZEVMVOOTGMZHY-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911055753 663973384 /nfs/dbraw/zinc/97/33/84/663973384.db2.gz RBFPKTNDHQQAIS-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911030696 663974390 /nfs/dbraw/zinc/97/43/90/663974390.db2.gz ZWXUERLYKCXGEV-AAVRWANBSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)NCCN1CCC[C@H](C)C1)C(C)C ZINC000911160362 663994994 /nfs/dbraw/zinc/99/49/94/663994994.db2.gz CCTKCORSAYYYQF-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000911324432 664027731 /nfs/dbraw/zinc/02/77/31/664027731.db2.gz COIYEMYNVCVLFH-GBJTYRQASA-N 1 3 322.453 0.363 20 0 DCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000911324634 664028086 /nfs/dbraw/zinc/02/80/86/664028086.db2.gz HWWKBYBRPVXFHS-QLFBSQMISA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911333744 664029864 /nfs/dbraw/zinc/02/98/64/664029864.db2.gz ULUUUCIGWCVBOO-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911332755 664029887 /nfs/dbraw/zinc/02/98/87/664029887.db2.gz OOGUKJVUKZOKMX-UONOGXRCSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486181 664063698 /nfs/dbraw/zinc/06/36/98/664063698.db2.gz QETLCNASEHOPDU-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC[C@H](C)C1 ZINC000911536603 664080407 /nfs/dbraw/zinc/08/04/07/664080407.db2.gz OVLXQUSIRAEFBV-XPABHHOTSA-N 1 3 322.453 0.232 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911563605 664082341 /nfs/dbraw/zinc/08/23/41/664082341.db2.gz PBQKTIWTUPGPCK-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC(=O)N1C ZINC000912304871 664160245 /nfs/dbraw/zinc/16/02/45/664160245.db2.gz SXVODIICUDSGBQ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCC(=O)N1C ZINC000912304871 664160246 /nfs/dbraw/zinc/16/02/46/664160246.db2.gz SXVODIICUDSGBQ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCO)C1CC1)N1CCCCC1 ZINC001670556434 1157461997 /nfs/dbraw/zinc/46/19/97/1157461997.db2.gz LVYUFLFRKTWTHF-CVEARBPZSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCCN1CCCO ZINC000993531625 664977395 /nfs/dbraw/zinc/97/73/95/664977395.db2.gz UJOJRSABIHVMKS-HUUCEWRRSA-N 1 3 309.454 0.966 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000917570291 665137149 /nfs/dbraw/zinc/13/71/49/665137149.db2.gz GVDLINNYVZXFHA-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000917570291 665137150 /nfs/dbraw/zinc/13/71/50/665137150.db2.gz GVDLINNYVZXFHA-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N[C@H]1CCN(C2CC2)C1 ZINC000918880654 665187988 /nfs/dbraw/zinc/18/79/88/665187988.db2.gz DPYDRGRNIPRAGD-XJKSGUPXSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)N[C@H]1CCN(C2CC2)C1 ZINC000918880654 665187990 /nfs/dbraw/zinc/18/79/90/665187990.db2.gz DPYDRGRNIPRAGD-XJKSGUPXSA-N 1 3 322.453 0.776 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545660 665388476 /nfs/dbraw/zinc/38/84/76/665388476.db2.gz KDXMIOMKERYYBL-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545660 665388477 /nfs/dbraw/zinc/38/84/77/665388477.db2.gz KDXMIOMKERYYBL-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000998083506 665397445 /nfs/dbraw/zinc/39/74/45/665397445.db2.gz VOTNIYMTOYPQEH-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000261545400 665402627 /nfs/dbraw/zinc/40/26/27/665402627.db2.gz JWCAQVAWCMGRER-HOTGVXAUSA-N 1 3 303.406 0.756 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000998120083 665402814 /nfs/dbraw/zinc/40/28/14/665402814.db2.gz PCRBBFMSUMWZHR-AWEZNQCLSA-N 1 3 306.410 0.817 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C3CN(CC4CC4)C3)CC2)C1 ZINC000941566375 666023942 /nfs/dbraw/zinc/02/39/42/666023942.db2.gz DMMCYJZUSGUDMD-HNNXBMFYSA-N 1 3 320.481 0.567 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C3CN(CC4CC4)C3)CC2)C1 ZINC000941566375 666023944 /nfs/dbraw/zinc/02/39/44/666023944.db2.gz DMMCYJZUSGUDMD-HNNXBMFYSA-N 1 3 320.481 0.567 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794326 666103079 /nfs/dbraw/zinc/10/30/79/666103079.db2.gz FFCXUHCZWOQOFR-OAHLLOKOSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+]1CCC(C(=O)NC2CCN(CCn3cccn3)CC2)CC1 ZINC001003548981 666326339 /nfs/dbraw/zinc/32/63/39/666326339.db2.gz XCZRXRVIEFSOPN-UHFFFAOYSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000944031106 666379045 /nfs/dbraw/zinc/37/90/45/666379045.db2.gz RIYIGWMSKBFUIF-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000944031106 666379047 /nfs/dbraw/zinc/37/90/47/666379047.db2.gz RIYIGWMSKBFUIF-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1)C1CC1 ZINC000946623129 666556806 /nfs/dbraw/zinc/55/68/06/666556806.db2.gz CWPBQFNAHNQBHN-XHSDSOJGSA-N 1 3 309.454 0.489 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1)C1CC1 ZINC000946623129 666556808 /nfs/dbraw/zinc/55/68/08/666556808.db2.gz CWPBQFNAHNQBHN-XHSDSOJGSA-N 1 3 309.454 0.489 20 0 DCADHO NC(=O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614490 666568387 /nfs/dbraw/zinc/56/83/87/666568387.db2.gz BWTKBRCMUUJODZ-HNNXBMFYSA-N 1 3 322.453 0.271 20 0 DCADHO NC(=O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614490 666568391 /nfs/dbraw/zinc/56/83/91/666568391.db2.gz BWTKBRCMUUJODZ-HNNXBMFYSA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276564 666658485 /nfs/dbraw/zinc/65/84/85/666658485.db2.gz DBAUXZFRDSIYCJ-DGNOSDGRSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276564 666658487 /nfs/dbraw/zinc/65/84/87/666658487.db2.gz DBAUXZFRDSIYCJ-DGNOSDGRSA-N 1 3 307.438 0.791 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995913226 666721512 /nfs/dbraw/zinc/72/15/12/666721512.db2.gz GSLUZBRBVOMFIX-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995913226 666721514 /nfs/dbraw/zinc/72/15/14/666721514.db2.gz GSLUZBRBVOMFIX-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1)N(C)C ZINC000995944138 666722355 /nfs/dbraw/zinc/72/23/55/666722355.db2.gz AQYYZENDXLHIRE-KGLIPLIRSA-N 1 3 322.457 0.445 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1)C1CC1 ZINC000996680940 666859466 /nfs/dbraw/zinc/85/94/66/666859466.db2.gz WWVBJLULJHRHLQ-MRXNPFEDSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC000861574117 666946543 /nfs/dbraw/zinc/94/65/43/666946543.db2.gz PLUSVZRDXAUFSP-NXNVCVFFSA-N 1 3 322.453 0.491 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000996965239 667044508 /nfs/dbraw/zinc/04/45/08/667044508.db2.gz NPRSOODKNNOXPJ-LSDHHAIUSA-N 1 3 324.469 0.384 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC001034957169 667198329 /nfs/dbraw/zinc/19/83/29/667198329.db2.gz LETDHOITOGCERL-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421054 667249732 /nfs/dbraw/zinc/24/97/32/667249732.db2.gz CZDRJGBSLGIJFQ-CJNGLKHVSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421054 667249735 /nfs/dbraw/zinc/24/97/35/667249735.db2.gz CZDRJGBSLGIJFQ-CJNGLKHVSA-N 1 3 306.410 0.648 20 0 DCADHO CN1CCC[C@H]([NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001035126349 667252182 /nfs/dbraw/zinc/25/21/82/667252182.db2.gz ZADTURZCJVFAKD-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035707509 667402683 /nfs/dbraw/zinc/40/26/83/667402683.db2.gz ZKWNTVBFNXQQPB-HOCLYGCPSA-N 1 3 321.465 0.633 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035834051 667413784 /nfs/dbraw/zinc/41/37/84/667413784.db2.gz GVSRJHWEWCLUAF-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035834051 667413785 /nfs/dbraw/zinc/41/37/85/667413785.db2.gz GVSRJHWEWCLUAF-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001036205740 667429825 /nfs/dbraw/zinc/42/98/25/667429825.db2.gz NOJNQLQAIKBYIY-IUODEOHRSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001036205743 667429849 /nfs/dbraw/zinc/42/98/49/667429849.db2.gz NOJNQLQAIKBYIY-SWLSCSKDSA-N 1 3 316.409 0.713 20 0 DCADHO Cc1cc(C)cc(OC[C@@H](O)CN(C)CCN2CC[NH2+]CC2)c1 ZINC000923285326 667494628 /nfs/dbraw/zinc/49/46/28/667494628.db2.gz GSSWVWVDEUDPBT-KRWDZBQOSA-N 1 3 321.465 0.880 20 0 DCADHO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)C1CNC1 ZINC000923604319 667497114 /nfs/dbraw/zinc/49/71/14/667497114.db2.gz VDNWAAYXKWAIAA-UHFFFAOYSA-N 1 3 311.451 0.872 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884210692 667499821 /nfs/dbraw/zinc/49/98/21/667499821.db2.gz HFBAIFUWOOBLGG-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]1CCCN(C(=O)C2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC000923305479 667502253 /nfs/dbraw/zinc/50/22/53/667502253.db2.gz JBCCHTALUBGOHY-TUUVXOQKSA-N 1 3 309.454 0.808 20 0 DCADHO COCC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000884219999 667502724 /nfs/dbraw/zinc/50/27/24/667502724.db2.gz DKSSTYWYMCJFPM-AWEZNQCLSA-N 1 3 313.442 0.502 20 0 DCADHO Cc1nc(CN(C)[C@H]2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)no1 ZINC000923328396 667506282 /nfs/dbraw/zinc/50/62/82/667506282.db2.gz ZLXTWWFPOSDPON-KBPBESRZSA-N 1 3 321.425 0.263 20 0 DCADHO Cc1cccc(NC(=O)[C@@H]2CCCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)n1 ZINC000923321997 667507419 /nfs/dbraw/zinc/50/74/19/667507419.db2.gz RMDJAXNQOKIBRT-QPSCCSFWSA-N 1 3 318.421 0.891 20 0 DCADHO C[C@@H]1NCCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@H]1C ZINC000884272042 667512417 /nfs/dbraw/zinc/51/24/17/667512417.db2.gz OXUPMYOVZADGKI-STQMWFEESA-N 1 3 303.410 0.314 20 0 DCADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC(CN)C[NH3+] ZINC000923355955 667515486 /nfs/dbraw/zinc/51/54/86/667515486.db2.gz HCXKYOCYODRYSM-HNNXBMFYSA-N 1 3 309.454 0.908 20 0 DCADHO Cc1ccc(OC[C@@H](O)CN2CCC(O)(C[NH3+])CC2)c(C)c1 ZINC000923382681 667521686 /nfs/dbraw/zinc/52/16/86/667521686.db2.gz SWVJINCBFVECAR-HNNXBMFYSA-N 1 3 308.422 0.829 20 0 DCADHO COCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000884401726 667538306 /nfs/dbraw/zinc/53/83/06/667538306.db2.gz ZHBHJUCLFWFRMB-HZPDHXFCSA-N 1 3 321.421 0.233 20 0 DCADHO COCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000884401726 667538310 /nfs/dbraw/zinc/53/83/10/667538310.db2.gz ZHBHJUCLFWFRMB-HZPDHXFCSA-N 1 3 321.421 0.233 20 0 DCADHO C[C@@H]1CN(CC(=O)NCc2ccc3c(c2)OCO3)CC[C@@H]1C[NH3+] ZINC000923510366 667551112 /nfs/dbraw/zinc/55/11/12/667551112.db2.gz SOYFTHDGIZHHOK-TZMCWYRMSA-N 1 3 319.405 0.948 20 0 DCADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC(=O)NCC(F)(F)F ZINC000923519603 667552532 /nfs/dbraw/zinc/55/25/32/667552532.db2.gz VOSRHDFYBUKKPU-VHSXEESVSA-N 1 3 322.331 0.306 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868363251 667560362 /nfs/dbraw/zinc/56/03/62/667560362.db2.gz HWUIGEFHBVFXFJ-GDBMZVCRSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000868363251 667560365 /nfs/dbraw/zinc/56/03/65/667560365.db2.gz HWUIGEFHBVFXFJ-GDBMZVCRSA-N 1 3 324.469 0.833 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000884576947 667569666 /nfs/dbraw/zinc/56/96/66/667569666.db2.gz UKLASMYBOFYTFD-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885014637 667635544 /nfs/dbraw/zinc/63/55/44/667635544.db2.gz LQNUIZJFULFPRJ-QDMKHBRRSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885203906 667652434 /nfs/dbraw/zinc/65/24/34/667652434.db2.gz DSHGOBGHBGTMRA-UHFFFAOYSA-N 1 3 324.425 0.413 20 0 DCADHO C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)CN1CCN(C)CC1 ZINC000870897046 667771200 /nfs/dbraw/zinc/77/12/00/667771200.db2.gz ZLYNKKWKDMKVQX-UQPPLGOBSA-N 1 3 308.470 0.518 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)[C@H](C)C1 ZINC000886732971 667792774 /nfs/dbraw/zinc/79/27/74/667792774.db2.gz WQWTTWHYYUJGQO-CHWSQXEVSA-N 1 3 303.472 0.730 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000886732973 667793107 /nfs/dbraw/zinc/79/31/07/667793107.db2.gz WQWTTWHYYUJGQO-QWHCGFSZSA-N 1 3 303.472 0.730 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886841457 667804788 /nfs/dbraw/zinc/80/47/88/667804788.db2.gz LWNMBYNKXRXEAF-RBGFHDKUSA-N 1 3 321.421 0.811 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886901096 667817269 /nfs/dbraw/zinc/81/72/69/667817269.db2.gz PQIAHYLNNVGJNX-CQSZACIVSA-N 1 3 303.472 0.734 20 0 DCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N(C)CCCCCC[NH3+] ZINC000872155082 667870702 /nfs/dbraw/zinc/87/07/02/667870702.db2.gz LBJLFAPLOCKTEA-CYBMUJFWSA-N 1 3 312.458 0.550 20 0 DCADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)C12CCC[NH+](CCC1)C2 ZINC000889744362 667986183 /nfs/dbraw/zinc/98/61/83/667986183.db2.gz LVUWQGDKSANCLJ-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873248721 668068261 /nfs/dbraw/zinc/06/82/61/668068261.db2.gz HHHFXTVJDXHAPQ-LSDHHAIUSA-N 1 3 316.405 0.955 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000924591983 668219996 /nfs/dbraw/zinc/21/99/96/668219996.db2.gz PINKEKTUKLIPPG-CABCVRRESA-N 1 3 320.437 0.877 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000924591983 668219998 /nfs/dbraw/zinc/21/99/98/668219998.db2.gz PINKEKTUKLIPPG-CABCVRRESA-N 1 3 320.437 0.877 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000874996692 668244406 /nfs/dbraw/zinc/24/44/06/668244406.db2.gz KVLHLSDLOAKVKY-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cc(N2CCC(N[C@H]3C[NH2+]CCOC3)CC2)nc(C)n1 ZINC000925540721 668328887 /nfs/dbraw/zinc/32/88/87/668328887.db2.gz FEVZWGSBNYFQFH-HNNXBMFYSA-N 1 3 305.426 0.640 20 0 DCADHO CC(C)S(=O)(=O)N1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925658009 668339056 /nfs/dbraw/zinc/33/90/56/668339056.db2.gz GHLLSWBSQTYPPE-JSGCOSHPSA-N 1 3 303.472 0.919 20 0 DCADHO O=C1OC[C@]2(CN[C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)COCCN12 ZINC000925732364 668343238 /nfs/dbraw/zinc/34/32/38/668343238.db2.gz FVNHAOXHQKGIKA-INMHGKMJSA-N 1 3 323.437 0.966 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926360834 668399377 /nfs/dbraw/zinc/39/93/77/668399377.db2.gz NGYFJFJZKFVXCG-KFWWJZLASA-N 1 3 322.453 0.269 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926383756 668401751 /nfs/dbraw/zinc/40/17/51/668401751.db2.gz VUJJIGHNAGXHHM-PBHICJAKSA-N 1 3 322.453 0.284 20 0 DCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](N)CN(C)C)C2)CC1 ZINC000876739129 668499601 /nfs/dbraw/zinc/49/96/01/668499601.db2.gz DKMVUPZXSNSDEM-HOTGVXAUSA-N 1 3 310.486 0.846 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000876745160 668500406 /nfs/dbraw/zinc/50/04/06/668500406.db2.gz FUAYCAJRHXQSGF-UHFFFAOYSA-N 1 3 305.426 0.969 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000876745160 668500408 /nfs/dbraw/zinc/50/04/08/668500408.db2.gz FUAYCAJRHXQSGF-UHFFFAOYSA-N 1 3 305.426 0.969 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)[C@@H](C)C1 ZINC000876763246 668505887 /nfs/dbraw/zinc/50/58/87/668505887.db2.gz DRSYKYRVJQGTIN-KKUMJFAQSA-N 1 3 314.474 0.129 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CN(C)C)[C@@H](C)C1 ZINC000876763246 668505890 /nfs/dbraw/zinc/50/58/90/668505890.db2.gz DRSYKYRVJQGTIN-KKUMJFAQSA-N 1 3 314.474 0.129 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876767490 668506279 /nfs/dbraw/zinc/50/62/79/668506279.db2.gz KNVPDXUMXYORAA-XIRDDKMYSA-N 1 3 318.465 0.902 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876767490 668506283 /nfs/dbraw/zinc/50/62/83/668506283.db2.gz KNVPDXUMXYORAA-XIRDDKMYSA-N 1 3 318.465 0.902 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876878880 668526038 /nfs/dbraw/zinc/52/60/38/668526038.db2.gz DHBGUDHXIRBRAE-STQMWFEESA-N 1 3 312.364 0.812 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000876973098 668545086 /nfs/dbraw/zinc/54/50/86/668545086.db2.gz ASKPQBKNDZGCRI-VZVMJDEUSA-N 1 3 307.438 0.768 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000954324220 668565557 /nfs/dbraw/zinc/56/55/57/668565557.db2.gz LWJFTQKBTDCYRJ-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)C2)cc1 ZINC000877220550 668577836 /nfs/dbraw/zinc/57/78/36/668577836.db2.gz HAMYFOZMSNALHL-LSDHHAIUSA-N 1 3 316.405 0.789 20 0 DCADHO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000877252056 668584640 /nfs/dbraw/zinc/58/46/40/668584640.db2.gz YWKYVDBHQZJHQP-GOEBONIOSA-N 1 3 308.470 0.613 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877340968 668604992 /nfs/dbraw/zinc/60/49/92/668604992.db2.gz RZQRSRPUBZBXNO-ZOBUZTSGSA-N 1 3 301.390 0.053 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000931567403 669223440 /nfs/dbraw/zinc/22/34/40/669223440.db2.gz RUAYEMKUMVKZMW-XJKSGUPXSA-N 1 3 320.441 0.860 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000931567403 669223445 /nfs/dbraw/zinc/22/34/45/669223445.db2.gz RUAYEMKUMVKZMW-XJKSGUPXSA-N 1 3 320.441 0.860 20 0 DCADHO C[NH+]1CCC2(CCCN(CCN3CCCS3(=O)=O)C2)CC1 ZINC000799178546 670047404 /nfs/dbraw/zinc/04/74/04/670047404.db2.gz ZZIUMJXCLKOUCD-UHFFFAOYSA-N 1 3 315.483 0.830 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC000855347062 670700383 /nfs/dbraw/zinc/70/03/83/670700383.db2.gz RSPVWBXVDACJMB-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC000855347062 670700387 /nfs/dbraw/zinc/70/03/87/670700387.db2.gz RSPVWBXVDACJMB-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC(OC)CC1 ZINC000849011844 670749511 /nfs/dbraw/zinc/74/95/11/670749511.db2.gz QVAFANGXUZRYFX-CQSZACIVSA-N 1 3 311.474 0.695 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NC2CC([NH+](C)C)C2)cn1 ZINC000849614066 670826765 /nfs/dbraw/zinc/82/67/65/670826765.db2.gz WOOICULWJLJMCP-QDIHITRGSA-N 1 3 319.453 0.664 20 0 DCADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)CNC[C@H]1CCCO1 ZINC000818582709 671033128 /nfs/dbraw/zinc/03/31/28/671033128.db2.gz WYWPQDFIVGEKSI-GFCCVEGCSA-N 1 3 320.393 0.082 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000852063903 671080945 /nfs/dbraw/zinc/08/09/45/671080945.db2.gz UCYQEEUZHALCLC-KKUMJFAQSA-N 1 3 310.442 0.633 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000852063903 671080952 /nfs/dbraw/zinc/08/09/52/671080952.db2.gz UCYQEEUZHALCLC-KKUMJFAQSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@](O)(C(N)=O)c1ccccc1)C2 ZINC000852107928 671088781 /nfs/dbraw/zinc/08/87/81/671088781.db2.gz RSOHVJIVORPUTM-ZWKOTPCHSA-N 1 3 317.433 0.777 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@](O)(C(N)=O)c1ccccc1)C2 ZINC000852107928 671088787 /nfs/dbraw/zinc/08/87/87/671088787.db2.gz RSOHVJIVORPUTM-ZWKOTPCHSA-N 1 3 317.433 0.777 20 0 DCADHO O=C(NC[C@H]1CCCN(CCOC(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000852747082 671155320 /nfs/dbraw/zinc/15/53/20/671155320.db2.gz WZHZIZJHUOVNPP-VXGBXAGGSA-N 1 3 305.369 0.806 20 0 DCADHO C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCCCC1 ZINC000827474142 671529071 /nfs/dbraw/zinc/52/90/71/671529071.db2.gz RRTJNELNYWNNDA-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000827936285 671539970 /nfs/dbraw/zinc/53/99/70/671539970.db2.gz IMOHRPONRAOFNS-OAGGEKHMSA-N 1 3 321.396 0.847 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000828283442 671549505 /nfs/dbraw/zinc/54/95/05/671549505.db2.gz HMOOTXMHWWQRAN-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000841790507 671955395 /nfs/dbraw/zinc/95/53/95/671955395.db2.gz DLPGMVKGQVRHBF-LJISPDSOSA-N 1 3 310.442 0.537 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000841801342 671956899 /nfs/dbraw/zinc/95/68/99/671956899.db2.gz RKITWXGLDMZLBS-OAHLLOKOSA-N 1 3 324.469 0.882 20 0 DCADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1NCCc2ccccc21 ZINC000841851859 671959946 /nfs/dbraw/zinc/95/99/46/671959946.db2.gz ZDYHHYZZBCQDMG-ZBFHGGJFSA-N 1 3 303.406 0.758 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCCCC1 ZINC000842014867 671973903 /nfs/dbraw/zinc/97/39/03/671973903.db2.gz FRNODLQYEKVVPW-IYXRBSQSSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000842016202 671974740 /nfs/dbraw/zinc/97/47/40/671974740.db2.gz SBJUWEPWJBSMMK-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000842016207 671974813 /nfs/dbraw/zinc/97/48/13/671974813.db2.gz SBJUWEPWJBSMMK-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843259932 672076388 /nfs/dbraw/zinc/07/63/88/672076388.db2.gz SZQZDJHCWJTWCL-CQSZACIVSA-N 1 3 312.458 0.470 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846679901 672336049 /nfs/dbraw/zinc/33/60/49/672336049.db2.gz HRFRXRCLVLOTKE-QRTARXTBSA-N 1 3 301.390 0.226 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCn2cccn2)C1 ZINC001024802484 693833051 /nfs/dbraw/zinc/83/30/51/693833051.db2.gz WDLGPLZYLVDRGD-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCn2cccn2)C1 ZINC001024802484 693833055 /nfs/dbraw/zinc/83/30/55/693833055.db2.gz WDLGPLZYLVDRGD-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000305147287 685214003 /nfs/dbraw/zinc/21/40/03/685214003.db2.gz SEHJPAXGOIDDCJ-CGTJXYLNSA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000305147287 685214007 /nfs/dbraw/zinc/21/40/07/685214007.db2.gz SEHJPAXGOIDDCJ-CGTJXYLNSA-N 1 3 321.465 0.788 20 0 DCADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037862052 693957558 /nfs/dbraw/zinc/95/75/58/693957558.db2.gz UGWVRZWFAGAGAM-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904564 685895203 /nfs/dbraw/zinc/89/52/03/685895203.db2.gz FPXINWQHUSCKJD-DZGCQCFKSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000953904564 685895206 /nfs/dbraw/zinc/89/52/06/685895206.db2.gz FPXINWQHUSCKJD-DZGCQCFKSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC000955339479 686370611 /nfs/dbraw/zinc/37/06/11/686370611.db2.gz IVTQYEUGXWCCGQ-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC000955339479 686370618 /nfs/dbraw/zinc/37/06/18/686370618.db2.gz IVTQYEUGXWCCGQ-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000955338845 686370919 /nfs/dbraw/zinc/37/09/19/686370919.db2.gz MPGJYRPJGVVEAV-ZIAGYGMSSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955338845 686370925 /nfs/dbraw/zinc/37/09/25/686370925.db2.gz MPGJYRPJGVVEAV-ZIAGYGMSSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC000955338615 686371413 /nfs/dbraw/zinc/37/14/13/686371413.db2.gz IVTQYEUGXWCCGQ-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC000955338615 686371419 /nfs/dbraw/zinc/37/14/19/686371419.db2.gz IVTQYEUGXWCCGQ-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534868 694109822 /nfs/dbraw/zinc/10/98/22/694109822.db2.gz IELQQFACHLAHDO-DGNOSDGRSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534868 694109826 /nfs/dbraw/zinc/10/98/26/694109826.db2.gz IELQQFACHLAHDO-DGNOSDGRSA-N 1 3 307.438 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959914681 688260200 /nfs/dbraw/zinc/26/02/00/688260200.db2.gz QKYOZOWMZVPVRA-SIXLDLHFSA-N 1 3 321.465 0.680 20 0 DCADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959914681 688260206 /nfs/dbraw/zinc/26/02/06/688260206.db2.gz QKYOZOWMZVPVRA-SIXLDLHFSA-N 1 3 321.465 0.680 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC000960045029 688287215 /nfs/dbraw/zinc/28/72/15/688287215.db2.gz WOMLQKPYFBNUCV-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961277406 688586113 /nfs/dbraw/zinc/58/61/13/688586113.db2.gz FVOVEMVRHRYJRW-AHRVAXILSA-N 1 3 305.422 0.306 20 0 DCADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961277406 688586117 /nfs/dbraw/zinc/58/61/17/688586117.db2.gz FVOVEMVRHRYJRW-AHRVAXILSA-N 1 3 305.422 0.306 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CCO)[C@H](C)C2)CC1 ZINC001185380685 1158872647 /nfs/dbraw/zinc/87/26/47/1158872647.db2.gz LPNUTMKJMRYPSC-HZPDHXFCSA-N 1 3 311.470 0.785 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCO)C1 ZINC000963367837 689042125 /nfs/dbraw/zinc/04/21/25/689042125.db2.gz TZVUHBTZXDLZBY-UKRRQHHQSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCO)C1 ZINC000963367837 689042128 /nfs/dbraw/zinc/04/21/28/689042128.db2.gz TZVUHBTZXDLZBY-UKRRQHHQSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000963912575 689109748 /nfs/dbraw/zinc/10/97/48/689109748.db2.gz MIBWPOJHOVQKPL-IYXRBSQSSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965932980 689586496 /nfs/dbraw/zinc/58/64/96/689586496.db2.gz GRIALDJZVVMTAG-UKEPKTAJSA-N 1 3 309.454 0.870 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001039112176 694305561 /nfs/dbraw/zinc/30/55/61/694305561.db2.gz DOHATUKQDWSEHC-HZPDHXFCSA-N 1 3 309.454 0.633 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039112176 694305567 /nfs/dbraw/zinc/30/55/67/694305567.db2.gz DOHATUKQDWSEHC-HZPDHXFCSA-N 1 3 309.454 0.633 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCO)C1 ZINC001039238970 694328638 /nfs/dbraw/zinc/32/86/38/694328638.db2.gz PTJVFPOBXGWJDU-HIFRSBDPSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCO)C1 ZINC001039238970 694328640 /nfs/dbraw/zinc/32/86/40/694328640.db2.gz PTJVFPOBXGWJDU-HIFRSBDPSA-N 1 3 306.410 0.648 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)CCC1 ZINC000968904503 690420303 /nfs/dbraw/zinc/42/03/03/690420303.db2.gz SCPXAARRFNUKDX-CQSZACIVSA-N 1 3 305.426 0.558 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000969097323 690469342 /nfs/dbraw/zinc/46/93/42/690469342.db2.gz AQBFNZRDASUFKD-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000969100078 690470187 /nfs/dbraw/zinc/47/01/87/690470187.db2.gz WXEUVUAPLUOBJU-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO COC[C@@H](C)N1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457071 692024075 /nfs/dbraw/zinc/02/40/75/692024075.db2.gz FZODGILMRMSQFB-ZIAGYGMSSA-N 1 3 323.441 0.284 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCCO)CC3)C1 ZINC001016818416 692778020 /nfs/dbraw/zinc/77/80/20/692778020.db2.gz DMHHKVNVILHNBI-CABCVRRESA-N 1 3 309.454 0.681 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)CC[N@@H+]1C ZINC001019289838 693421466 /nfs/dbraw/zinc/42/14/66/693421466.db2.gz GQOZHOQLYHYHDY-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)CC[N@H+]1C ZINC001019289838 693421471 /nfs/dbraw/zinc/42/14/71/693421471.db2.gz GQOZHOQLYHYHDY-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001019394261 693461280 /nfs/dbraw/zinc/46/12/80/693461280.db2.gz CHFSUHMGYKUZNU-MJBXVCDLSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC001019397008 693461898 /nfs/dbraw/zinc/46/18/98/693461898.db2.gz DVXVEEVYYMUBLY-GJZGRUSLSA-N 1 3 322.457 0.426 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001019470021 693483485 /nfs/dbraw/zinc/48/34/85/693483485.db2.gz ZVQLLIPBDJNTCY-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001019810647 693591661 /nfs/dbraw/zinc/59/16/61/693591661.db2.gz BTQODATYIKVVQN-CJNGLKHVSA-N 1 3 305.422 0.933 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N1CCCCC1 ZINC001020152572 693715096 /nfs/dbraw/zinc/71/50/96/693715096.db2.gz RHFAMBQWIQQDDI-IHRRRGAJSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(CCF)C3)C1 ZINC001072914066 694683379 /nfs/dbraw/zinc/68/33/79/694683379.db2.gz TXLRLYDGTBZVNH-AWEZNQCLSA-N 1 3 313.417 0.599 20 0 DCADHO CC(C)[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCN(CCF)C3)C1 ZINC001072914066 694683380 /nfs/dbraw/zinc/68/33/80/694683380.db2.gz TXLRLYDGTBZVNH-AWEZNQCLSA-N 1 3 313.417 0.599 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)[C@@H]1C)N(C)C ZINC001074885532 694928520 /nfs/dbraw/zinc/92/85/20/694928520.db2.gz JXZPGGOILSHHDW-AJNGGQMLSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H]1C)N(C)C ZINC001074890911 694928932 /nfs/dbraw/zinc/92/89/32/694928932.db2.gz YENYLHIOTHNGOD-QEJZJMRPSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075038923 694935628 /nfs/dbraw/zinc/93/56/28/694935628.db2.gz ICSDBJGQJCMNBT-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001075038923 694935629 /nfs/dbraw/zinc/93/56/29/694935629.db2.gz ICSDBJGQJCMNBT-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075881187 694983396 /nfs/dbraw/zinc/98/33/96/694983396.db2.gz HRAZEQOSFCAZSH-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075881187 694983397 /nfs/dbraw/zinc/98/33/97/694983397.db2.gz HRAZEQOSFCAZSH-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713256 695040056 /nfs/dbraw/zinc/04/00/56/695040056.db2.gz SBRIGZFPZOARTJ-ZIAGYGMSSA-N 1 3 320.393 0.537 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713256 695040057 /nfs/dbraw/zinc/04/00/57/695040057.db2.gz SBRIGZFPZOARTJ-ZIAGYGMSSA-N 1 3 320.393 0.537 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001076924347 695100806 /nfs/dbraw/zinc/10/08/06/695100806.db2.gz KMCKNYPGMHMNML-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001648970657 1158209324 /nfs/dbraw/zinc/20/93/24/1158209324.db2.gz SQNFMNLZNGZSGB-WBTNSWJXSA-N 1 3 307.438 0.888 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001649051340 1158624949 /nfs/dbraw/zinc/62/49/49/1158624949.db2.gz RWOOOJONBHWFTP-HOTGVXAUSA-N 1 3 315.417 0.586 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001443923277 1159290226 /nfs/dbraw/zinc/29/02/26/1159290226.db2.gz YFINQFKCYYPVIW-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C[C@@H]1C ZINC001446418495 1159407317 /nfs/dbraw/zinc/40/73/17/1159407317.db2.gz MOEKXTAHGIYZHY-GJZGRUSLSA-N 1 3 322.457 0.587 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NCC2CC2)C1 ZINC001446460764 1159423726 /nfs/dbraw/zinc/42/37/26/1159423726.db2.gz KKGHEOPQCHFVQK-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NCC2CC2)C1 ZINC001446460764 1159423740 /nfs/dbraw/zinc/42/37/40/1159423740.db2.gz KKGHEOPQCHFVQK-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001446508024 1159440627 /nfs/dbraw/zinc/44/06/27/1159440627.db2.gz OXPNDZFQKWMHNE-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001446508024 1159440633 /nfs/dbraw/zinc/44/06/33/1159440633.db2.gz OXPNDZFQKWMHNE-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CCC[C@](CO)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001447047256 1159568715 /nfs/dbraw/zinc/56/87/15/1159568715.db2.gz XOWIGWVIGAIOON-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001447455356 1159646154 /nfs/dbraw/zinc/64/61/54/1159646154.db2.gz RCZWSLBNBULZQQ-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001447455356 1159646157 /nfs/dbraw/zinc/64/61/57/1159646157.db2.gz RCZWSLBNBULZQQ-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NC)[C@@H]2C1 ZINC001449058341 1159738760 /nfs/dbraw/zinc/73/87/60/1159738760.db2.gz ZDZGFYTZPZNCKV-ZNMIVQPWSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001453218092 1159752004 /nfs/dbraw/zinc/75/20/04/1159752004.db2.gz XKASOUPRTBLXQX-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)CCN1CCCC1=O ZINC001566481724 1160006082 /nfs/dbraw/zinc/00/60/82/1160006082.db2.gz NVQAKECWTHOHBA-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)CCN1CCCC1=O ZINC001566481724 1160006094 /nfs/dbraw/zinc/00/60/94/1160006094.db2.gz NVQAKECWTHOHBA-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCn1cccn1 ZINC001568176473 1160592611 /nfs/dbraw/zinc/59/26/11/1160592611.db2.gz VLNJGPNPULAUEB-AWEZNQCLSA-N 1 3 307.442 0.709 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CCNCc1nccn1C)[NH+](C)C ZINC001568674194 1160732004 /nfs/dbraw/zinc/73/20/04/1160732004.db2.gz HTJOYHKHFKWHOH-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO O=C1CCCCN1CC1CC[NH+](C[C@@]2(O)CCCNC2)CC1 ZINC001574431128 1163723387 /nfs/dbraw/zinc/72/33/87/1163723387.db2.gz SZGFDFKSJJZJDF-QGZVFWFLSA-N 1 3 309.454 0.825 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001575138748 1163913090 /nfs/dbraw/zinc/91/30/90/1163913090.db2.gz CRFIFCYKRFWBIX-GFCCVEGCSA-N 1 3 308.426 0.874 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001575141456 1163915274 /nfs/dbraw/zinc/91/52/74/1163915274.db2.gz XIXCMIOSDLITHN-HUUCEWRRSA-N 1 3 323.485 0.548 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cn[nH]n2)C1 ZINC001575420060 1164008301 /nfs/dbraw/zinc/00/83/01/1164008301.db2.gz HQCXCZQVLHQRAN-BPLDGKMQSA-N 1 3 320.441 0.614 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cn[nH]n2)C1 ZINC001575420060 1164008306 /nfs/dbraw/zinc/00/83/06/1164008306.db2.gz HQCXCZQVLHQRAN-BPLDGKMQSA-N 1 3 320.441 0.614 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001575501200 1164038079 /nfs/dbraw/zinc/03/80/79/1164038079.db2.gz FKHLLXKKFTWPTH-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1c[nH]nn1)[NH+]1CCCC1 ZINC001575556601 1164058773 /nfs/dbraw/zinc/05/87/73/1164058773.db2.gz ZOUBPDQJWYAPDV-HIFRSBDPSA-N 1 3 322.457 0.862 20 0 DCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001575557411 1164058907 /nfs/dbraw/zinc/05/89/07/1164058907.db2.gz AASSBFZGJITESY-GJZGRUSLSA-N 1 3 324.469 0.691 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCc1c[nH]nn1)[NH+]1CCCCC1 ZINC001575566927 1164062950 /nfs/dbraw/zinc/06/29/50/1164062950.db2.gz PHDAGPOKBZJURN-ZFWWWQNUSA-N 1 3 322.457 0.910 20 0 DCADHO C[C@@H](NCc1c[nH]nn1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001575698110 1164110736 /nfs/dbraw/zinc/11/07/36/1164110736.db2.gz VEMCWOOOSZGUIO-NEPJUHHUSA-N 1 3 306.414 0.416 20 0 DCADHO C[C@@H]1C[C@H](NCc2c[nH]nn2)CN1C(=O)CCCC[NH+](C)C ZINC001576056529 1164225509 /nfs/dbraw/zinc/22/55/09/1164225509.db2.gz CIIWOFQRFRNOLF-OLZOCXBDSA-N 1 3 308.430 0.616 20 0 DCADHO CC1([NH3+])CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001576532079 1164382440 /nfs/dbraw/zinc/38/24/40/1164382440.db2.gz XQVUUJNNTIVABK-CQSZACIVSA-N 1 3 310.442 0.763 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCc1cn[nH]n1 ZINC001576817984 1164480472 /nfs/dbraw/zinc/48/04/72/1164480472.db2.gz NSOZUQHIVVMJQX-LSDHHAIUSA-N 1 3 320.441 0.412 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCc1cn[nH]n1 ZINC001576817984 1164480475 /nfs/dbraw/zinc/48/04/75/1164480475.db2.gz NSOZUQHIVVMJQX-LSDHHAIUSA-N 1 3 320.441 0.412 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(CCc3cn[nH]n3)C2)C1 ZINC001576878167 1164514568 /nfs/dbraw/zinc/51/45/68/1164514568.db2.gz ZAECKKCAGRCFLO-XJKSGUPXSA-N 1 3 320.441 0.270 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(CCc3cn[nH]n3)C2)C1 ZINC001576878167 1164514574 /nfs/dbraw/zinc/51/45/74/1164514574.db2.gz ZAECKKCAGRCFLO-XJKSGUPXSA-N 1 3 320.441 0.270 20 0 DCADHO C[C@@H](CNCc1c[nH]nn1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001577139095 1164612741 /nfs/dbraw/zinc/61/27/41/1164612741.db2.gz ZYVHWKQORDZKEW-WFASDCNBSA-N 1 3 320.441 0.806 20 0 DCADHO C[C@@H](CNCc1c[nH]nn1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001577139095 1164612745 /nfs/dbraw/zinc/61/27/45/1164612745.db2.gz ZYVHWKQORDZKEW-WFASDCNBSA-N 1 3 320.441 0.806 20 0 DCADHO CC[C@H](NC[C@@H](C[NH3+])Cc1cnn(C)c1C)[C@@H](O)C(F)F ZINC001577175838 1164621196 /nfs/dbraw/zinc/62/11/96/1164621196.db2.gz JPSAHSBMGNCTOG-KGYLQXTDSA-N 1 3 304.385 0.840 20 0 DCADHO O=C(Cc1cncs1)NC[C@@H]1CCCN1CCc1cn[nH]n1 ZINC001577966335 1164865130 /nfs/dbraw/zinc/86/51/30/1164865130.db2.gz YDWKEVSSFFNAPF-LBPRGKRZSA-N 1 3 320.422 0.627 20 0 DCADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)NC[C@@H]1CC[NH2+]1 ZINC001578412454 1165004390 /nfs/dbraw/zinc/00/43/90/1165004390.db2.gz MURAIHKNRJUPRC-UONOGXRCSA-N 1 3 310.442 0.633 20 0 DCADHO CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001578417009 1165007904 /nfs/dbraw/zinc/00/79/04/1165007904.db2.gz LBDWLYJHMNPIPH-CYBMUJFWSA-N 1 3 304.394 0.532 20 0 DCADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1O ZINC001578418545 1165009373 /nfs/dbraw/zinc/00/93/73/1165009373.db2.gz BJJDBJDRBDHZPD-ZIAGYGMSSA-N 1 3 317.389 0.947 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001578418774 1165009426 /nfs/dbraw/zinc/00/94/26/1165009426.db2.gz HSNHFHRWMKVJOW-WFASDCNBSA-N 1 3 306.414 0.790 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001578529210 1165046064 /nfs/dbraw/zinc/04/60/64/1165046064.db2.gz QUIFCQWKMOVMPZ-IACUBPJLSA-N 1 3 303.410 0.985 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC001578533407 1165048228 /nfs/dbraw/zinc/04/82/28/1165048228.db2.gz GCNSYBIJKGUDQJ-RDJZCZTQSA-N 1 3 323.485 0.537 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001578533784 1165051327 /nfs/dbraw/zinc/05/13/27/1165051327.db2.gz YHECDVMSFRNQIA-INIZCTEOSA-N 1 3 322.497 0.862 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)N(C)C)cc1 ZINC001579667878 1165373784 /nfs/dbraw/zinc/37/37/84/1165373784.db2.gz WHYPUOJDTXNSOL-HLLBOEOZSA-N 1 3 305.422 0.827 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1C[NH2+]CCC12CCC2 ZINC001580651731 1165674373 /nfs/dbraw/zinc/67/43/73/1165674373.db2.gz FBJFCYUCNYILCY-LSDHHAIUSA-N 1 3 309.454 0.729 20 0 DCADHO O[C@H](CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)CC1(O)CCOCC1 ZINC001580877989 1165748428 /nfs/dbraw/zinc/74/84/28/1165748428.db2.gz ISORNRINJIRSMW-PMPSAXMXSA-N 1 3 312.454 0.743 20 0 DCADHO [NH3+]CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592744353 1167626796 /nfs/dbraw/zinc/62/67/96/1167626796.db2.gz IESIYCUYMLRWPA-WFASDCNBSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592744353 1167626799 /nfs/dbraw/zinc/62/67/99/1167626799.db2.gz IESIYCUYMLRWPA-WFASDCNBSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592744353 1167626805 /nfs/dbraw/zinc/62/68/05/1167626805.db2.gz IESIYCUYMLRWPA-WFASDCNBSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592744353 1167626810 /nfs/dbraw/zinc/62/68/10/1167626810.db2.gz IESIYCUYMLRWPA-WFASDCNBSA-N 1 3 316.409 0.961 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001649705333 1173175926 /nfs/dbraw/zinc/17/59/26/1173175926.db2.gz YQEOTCTWDHOJAS-SOUVJXGZSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001650338876 1173576765 /nfs/dbraw/zinc/57/67/65/1173576765.db2.gz DSFPNJIEJHFKIQ-MLGOLLRUSA-N 1 3 313.442 0.105 20 0 DCADHO CSCC[C@@H](N)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001650386926 1173608874 /nfs/dbraw/zinc/60/88/74/1173608874.db2.gz WGOMUESOXZHFAM-VXGBXAGGSA-N 1 3 301.456 0.342 20 0 DCADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001650395769 1173616753 /nfs/dbraw/zinc/61/67/53/1173616753.db2.gz KAGWEDWTHJMMFS-SDDRHHMPSA-N 1 3 316.409 0.441 20 0 DCADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001650434575 1173640195 /nfs/dbraw/zinc/64/01/95/1173640195.db2.gz LQGUGUJMJCEEBN-DLTWYDFYSA-N 1 3 309.454 0.952 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCCNC1=O ZINC001660529372 1174004430 /nfs/dbraw/zinc/00/44/30/1174004430.db2.gz UAADRDRZTKHXOR-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCCNC1=O ZINC001660529372 1174004435 /nfs/dbraw/zinc/00/44/35/1174004435.db2.gz UAADRDRZTKHXOR-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO Cc1noc(CCC[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)n1 ZINC001663981734 1174378693 /nfs/dbraw/zinc/37/86/93/1174378693.db2.gz SDFMAZQQQIVCEA-UHFFFAOYSA-N 1 3 323.441 0.843 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001666134493 1174588223 /nfs/dbraw/zinc/58/82/23/1174588223.db2.gz ASSFYZCQQRKQDU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668641805 1174815989 /nfs/dbraw/zinc/81/59/89/1174815989.db2.gz VDDKUWHYSOVXSA-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)C(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668641805 1174815992 /nfs/dbraw/zinc/81/59/92/1174815992.db2.gz VDDKUWHYSOVXSA-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001672805951 1175154058 /nfs/dbraw/zinc/15/40/58/1175154058.db2.gz QVEKCOXAUZSUQR-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCCOC)CC1)N(C)C ZINC001674095980 1175253282 /nfs/dbraw/zinc/25/32/82/1175253282.db2.gz POACUHVKQUUTLQ-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO COCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001675628638 1175382955 /nfs/dbraw/zinc/38/29/55/1175382955.db2.gz YAVXSTYOBBEYRA-KGLIPLIRSA-N 1 3 301.431 0.179 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCOCCO)CC1 ZINC001676037300 1175416163 /nfs/dbraw/zinc/41/61/63/1175416163.db2.gz HRMKQKZQKDCJQK-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCOCCO)CC1 ZINC001676037300 1175416165 /nfs/dbraw/zinc/41/61/65/1175416165.db2.gz HRMKQKZQKDCJQK-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001689968897 1177130543 /nfs/dbraw/zinc/13/05/43/1177130543.db2.gz CPSRRQKWVHILSU-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001689968897 1177130548 /nfs/dbraw/zinc/13/05/48/1177130548.db2.gz CPSRRQKWVHILSU-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCNC1=O ZINC001689965513 1177130912 /nfs/dbraw/zinc/13/09/12/1177130912.db2.gz VXACVTAUNQTWSU-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001690255378 1177197564 /nfs/dbraw/zinc/19/75/64/1177197564.db2.gz KOPLZZQDLKWTJV-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCC2CC2)C1 ZINC001690730669 1177313422 /nfs/dbraw/zinc/31/34/22/1177313422.db2.gz RGNULXASXIBFJO-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)Nc1ccon1)NC(=O)[C@@H]1CCCN1C ZINC001699089330 1177843112 /nfs/dbraw/zinc/84/31/12/1177843112.db2.gz YNBATOVUFLDYIE-RYUDHWBXSA-N 1 3 323.397 0.192 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001699538385 1178188292 /nfs/dbraw/zinc/18/82/92/1178188292.db2.gz UERVPWZLSNFXAV-ZDUSSCGKSA-N 1 3 323.441 0.646 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(O)(CNCCF)CC1 ZINC001700300993 1178572494 /nfs/dbraw/zinc/57/24/94/1178572494.db2.gz GPAGQNLSIDGXDS-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC(O)(CNCCF)CC1 ZINC001700300993 1178572498 /nfs/dbraw/zinc/57/24/98/1178572498.db2.gz GPAGQNLSIDGXDS-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1)N(C)C ZINC001713150027 1180698118 /nfs/dbraw/zinc/69/81/18/1180698118.db2.gz PTKWMODPDGNDCX-AVGNSLFASA-N 1 3 319.396 0.941 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001714367010 1181337664 /nfs/dbraw/zinc/33/76/64/1181337664.db2.gz MQZANWBRBYSJDO-LLVKDONJSA-N 1 3 316.352 0.672 20 0 DCADHO C[C@H](C[NH2+]CCO[C@H]1CC1(F)F)N(C)C(=O)CN1CCCC1 ZINC001714866631 1181577296 /nfs/dbraw/zinc/57/72/96/1181577296.db2.gz SASVOTFNOOCQQN-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001715177339 1181707495 /nfs/dbraw/zinc/70/74/95/1181707495.db2.gz HQKLYBARSLIYEV-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CN1CC[C@@H](NC/C=C\CNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001715910446 1182096513 /nfs/dbraw/zinc/09/65/13/1182096513.db2.gz DTYQOVVOKZCOLR-MPNWYJEXSA-N 1 3 322.453 0.355 20 0 DCADHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001716195612 1182245667 /nfs/dbraw/zinc/24/56/67/1182245667.db2.gz JZYLXJZYTPOGHD-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001716195612 1182245670 /nfs/dbraw/zinc/24/56/70/1182245670.db2.gz JZYLXJZYTPOGHD-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO CCN(CCNCC(=O)N(C)C(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716253947 1182279163 /nfs/dbraw/zinc/27/91/63/1182279163.db2.gz NMFXMMOKRHPVPX-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNCC(=O)N(C)C(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001716253947 1182279168 /nfs/dbraw/zinc/27/91/68/1182279168.db2.gz NMFXMMOKRHPVPX-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001716412740 1182379665 /nfs/dbraw/zinc/37/96/65/1182379665.db2.gz NRCUBJPJFWYGNI-UONOGXRCSA-N 1 3 307.442 0.399 20 0 DCADHO CCOCC[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001717010610 1182620795 /nfs/dbraw/zinc/62/07/95/1182620795.db2.gz JYFJQVQWVFWFHQ-GASCZTMLSA-N 1 3 309.454 0.897 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001717010610 1182620800 /nfs/dbraw/zinc/62/08/00/1182620800.db2.gz JYFJQVQWVFWFHQ-GASCZTMLSA-N 1 3 309.454 0.897 20 0 DCADHO COCCC[NH2+][C@]1(CO)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001717260573 1182754989 /nfs/dbraw/zinc/75/49/89/1182754989.db2.gz ARYMUTCNILYEHI-MRXNPFEDSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H](O)CCC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001724985436 1184644715 /nfs/dbraw/zinc/64/47/15/1184644715.db2.gz VCGNZILKQLCXBU-CYBMUJFWSA-N 1 3 324.425 0.056 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)CCOCCO ZINC001725176190 1184708108 /nfs/dbraw/zinc/70/81/08/1184708108.db2.gz XKPQVNIAOIPZAF-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001731682724 1185443262 /nfs/dbraw/zinc/44/32/62/1185443262.db2.gz ZYDWJGUWXZZVCE-HNNXBMFYSA-N 1 3 322.453 0.143 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)N(C)C)C1 ZINC001731946431 1185599766 /nfs/dbraw/zinc/59/97/66/1185599766.db2.gz MKXANYNUMIUZDZ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)N(C)C)C1 ZINC001731946431 1185599769 /nfs/dbraw/zinc/59/97/69/1185599769.db2.gz MKXANYNUMIUZDZ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1nnsc1CNCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732752204 1185949926 /nfs/dbraw/zinc/94/99/26/1185949926.db2.gz ACFBCMVDFOJQKL-PWSUYJOCSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CNCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001732752204 1185949930 /nfs/dbraw/zinc/94/99/30/1185949930.db2.gz ACFBCMVDFOJQKL-PWSUYJOCSA-N 1 3 311.455 0.783 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\CN[C@@H](C)C(=O)NC)C1 ZINC001732893164 1186042215 /nfs/dbraw/zinc/04/22/15/1186042215.db2.gz UGSPTKDENDMQOD-LUNKNMTDSA-N 1 3 324.469 0.505 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CN[C@@H](C)C(=O)NC)C1 ZINC001732893164 1186042218 /nfs/dbraw/zinc/04/22/18/1186042218.db2.gz UGSPTKDENDMQOD-LUNKNMTDSA-N 1 3 324.469 0.505 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCn2cncn2)C1 ZINC001733126095 1186150944 /nfs/dbraw/zinc/15/09/44/1186150944.db2.gz BXYRLHFQIIGJAL-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCN(C)C(=O)CN2CCCC2)C1=O ZINC001733143347 1186160356 /nfs/dbraw/zinc/16/03/56/1186160356.db2.gz HSJPGLWIKYOBCL-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCn3cccn3)C2)C1 ZINC001734216296 1186582609 /nfs/dbraw/zinc/58/26/09/1186582609.db2.gz QRDGTWNMSFMPCY-JYJNAYRXSA-N 1 3 319.453 0.709 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNC(=O)CN1CCCC1 ZINC001738513766 1187579559 /nfs/dbraw/zinc/57/95/59/1187579559.db2.gz MOHPMYJFVHNORG-SREVYHEPSA-N 1 3 324.469 0.601 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC/C=C\CNC(=O)CN1CCCC1 ZINC001738513766 1187579561 /nfs/dbraw/zinc/57/95/61/1187579561.db2.gz MOHPMYJFVHNORG-SREVYHEPSA-N 1 3 324.469 0.601 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001738697146 1187631504 /nfs/dbraw/zinc/63/15/04/1187631504.db2.gz FVSJJYLEHXVDPD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO COc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193604306 1188069662 /nfs/dbraw/zinc/06/96/62/1188069662.db2.gz WASOQXSEQKMQEA-ZNMIVQPWSA-N 1 3 306.406 0.928 20 0 DCADHO COc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193604306 1188069663 /nfs/dbraw/zinc/06/96/63/1188069663.db2.gz WASOQXSEQKMQEA-ZNMIVQPWSA-N 1 3 306.406 0.928 20 0 DCADHO CCN(CC[NH2+]CCN1CCCC1=O)C(=O)CN1CC[C@@H](C)C1 ZINC001754067252 1188726749 /nfs/dbraw/zinc/72/67/49/1188726749.db2.gz OXRZWOUUHIHQLI-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001754163783 1188765864 /nfs/dbraw/zinc/76/58/64/1188765864.db2.gz NYJPJZUUKKGSLA-ITDFMYJTSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2ccn(C)n2)CC[N@@H+]1C ZINC001754371567 1188834909 /nfs/dbraw/zinc/83/49/09/1188834909.db2.gz LLEINXGRAPRXLY-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2ccn(C)n2)CC[N@H+]1C ZINC001754371567 1188834913 /nfs/dbraw/zinc/83/49/13/1188834913.db2.gz LLEINXGRAPRXLY-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001758411470 1189874602 /nfs/dbraw/zinc/87/46/02/1189874602.db2.gz FIVMOKIIKNZHRZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001758411470 1189874605 /nfs/dbraw/zinc/87/46/05/1189874605.db2.gz FIVMOKIIKNZHRZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001759716158 1190277801 /nfs/dbraw/zinc/27/78/01/1190277801.db2.gz RYFUWNFFIZZGDL-YOVCOIKASA-N 1 3 324.469 0.457 20 0 DCADHO CCCN(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001759716158 1190277805 /nfs/dbraw/zinc/27/78/05/1190277805.db2.gz RYFUWNFFIZZGDL-YOVCOIKASA-N 1 3 324.469 0.457 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001772065035 1190602359 /nfs/dbraw/zinc/60/23/59/1190602359.db2.gz CYJRJJOORWAFKD-FXUDXRNXSA-N 1 3 300.406 0.893 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC001772274274 1190650848 /nfs/dbraw/zinc/65/08/48/1190650848.db2.gz RWIXXWWHMIDJPE-ZWNOBZJWSA-N 1 3 323.368 0.570 20 0 DCADHO C[N@@H+]1C[C@@]23CN(C(=O)C[C@@H]4CNCCO4)C[C@]2(C1)CCCC3 ZINC001772314037 1190660680 /nfs/dbraw/zinc/66/06/80/1190660680.db2.gz CYSJKAFXRWUTKO-OIISXLGYSA-N 1 3 307.438 0.699 20 0 DCADHO C[N@H+]1C[C@@]23CN(C(=O)C[C@@H]4CNCCO4)C[C@]2(C1)CCCC3 ZINC001772314037 1190660682 /nfs/dbraw/zinc/66/06/82/1190660682.db2.gz CYSJKAFXRWUTKO-OIISXLGYSA-N 1 3 307.438 0.699 20 0 DCADHO CN1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]21 ZINC001164669769 719423019 /nfs/dbraw/zinc/42/30/19/719423019.db2.gz MOVDNMNDOHUPRS-LSDHHAIUSA-N 1 3 317.437 0.528 20 0 DCADHO CCCCN1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107235689 751968958 /nfs/dbraw/zinc/96/89/58/751968958.db2.gz IYOSVSXNFAQAGI-UHFFFAOYSA-N 1 3 320.441 0.647 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1)C(N)=O ZINC001167260889 747044967 /nfs/dbraw/zinc/04/49/67/747044967.db2.gz OJCPCVBOLVSWHO-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]CC3CC3)cc(=O)[n-]2)C1 ZINC001087261967 747582939 /nfs/dbraw/zinc/58/29/39/747582939.db2.gz JAXFVBBPVACNRJ-LBPRGKRZSA-N 1 3 319.409 0.250 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]CC3CC3)cc(=O)[n-]2)C1 ZINC001087261967 747582941 /nfs/dbraw/zinc/58/29/41/747582941.db2.gz JAXFVBBPVACNRJ-LBPRGKRZSA-N 1 3 319.409 0.250 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001100684264 747614745 /nfs/dbraw/zinc/61/47/45/747614745.db2.gz ABXYWHHOWZAQOO-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CCC1 ZINC001087364318 747767738 /nfs/dbraw/zinc/76/77/38/747767738.db2.gz WHABBTWPMYRZTF-FZKCQIBNSA-N 1 3 321.465 0.632 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CCC1 ZINC001087364318 747767742 /nfs/dbraw/zinc/76/77/42/747767742.db2.gz WHABBTWPMYRZTF-FZKCQIBNSA-N 1 3 321.465 0.632 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001104809677 747937414 /nfs/dbraw/zinc/93/74/14/747937414.db2.gz NBQVVDZACPIOMV-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001104809782 747937562 /nfs/dbraw/zinc/93/75/62/747937562.db2.gz QVZPAMQHUAEDPR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001104937509 747985328 /nfs/dbraw/zinc/98/53/28/747985328.db2.gz BIWBDCNRMQYNSX-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1 ZINC001105067364 748019774 /nfs/dbraw/zinc/01/97/74/748019774.db2.gz XTXAUUQUAHUGJQ-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001167815014 748368228 /nfs/dbraw/zinc/36/82/28/748368228.db2.gz LUXOSVRKWCDUCS-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361055 748488044 /nfs/dbraw/zinc/48/80/44/748488044.db2.gz OYHOVTMTNZOMKV-CYBMUJFWSA-N 1 3 320.441 0.503 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361055 748488047 /nfs/dbraw/zinc/48/80/47/748488047.db2.gz OYHOVTMTNZOMKV-CYBMUJFWSA-N 1 3 320.441 0.503 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001077680027 752287826 /nfs/dbraw/zinc/28/78/26/752287826.db2.gz NSKIOAQDIWABSM-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001077680027 752287831 /nfs/dbraw/zinc/28/78/31/752287831.db2.gz NSKIOAQDIWABSM-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO CC(C)C[NH2+]Cc1cn(C2CN(C(=O)CN(C)C(C)C)C2)nn1 ZINC001105377263 748710832 /nfs/dbraw/zinc/71/08/32/748710832.db2.gz WLPHFUDQCXDVKG-UHFFFAOYSA-N 1 3 322.457 0.747 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1 ZINC001112535792 748841515 /nfs/dbraw/zinc/84/15/15/748841515.db2.gz APWPBWVPFQEYNL-BBRMVZONSA-N 1 3 306.410 0.553 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106701 749241753 /nfs/dbraw/zinc/24/17/53/749241753.db2.gz MXWOGDMZYNTQBP-XHSDSOJGSA-N 1 3 309.454 0.755 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106701 749241756 /nfs/dbraw/zinc/24/17/56/749241756.db2.gz MXWOGDMZYNTQBP-XHSDSOJGSA-N 1 3 309.454 0.755 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254912 750930617 /nfs/dbraw/zinc/93/06/17/750930617.db2.gz GPYNKVLKXLBKPQ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254912 750930621 /nfs/dbraw/zinc/93/06/21/750930621.db2.gz GPYNKVLKXLBKPQ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C(=O)NCC[NH2+]CCn1cccn1)N1CCCCC1 ZINC001127316942 751092882 /nfs/dbraw/zinc/09/28/82/751092882.db2.gz FLYBASXWBVVBIL-UHFFFAOYSA-N 1 3 307.442 0.853 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127338713 751143939 /nfs/dbraw/zinc/14/39/39/751143939.db2.gz HDJQBTBOQDMUFS-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127338713 751143942 /nfs/dbraw/zinc/14/39/42/751143942.db2.gz HDJQBTBOQDMUFS-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001045251171 753114095 /nfs/dbraw/zinc/11/40/95/753114095.db2.gz HTXBKJYVQAQBIQ-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001045251172 753114149 /nfs/dbraw/zinc/11/41/49/753114149.db2.gz HTXBKJYVQAQBIQ-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035896 753439370 /nfs/dbraw/zinc/43/93/70/753439370.db2.gz VMVVCGLGLIWECQ-SJORKVTESA-N 1 3 322.497 0.954 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035896 753439371 /nfs/dbraw/zinc/43/93/71/753439371.db2.gz VMVVCGLGLIWECQ-SJORKVTESA-N 1 3 322.497 0.954 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035634 753439619 /nfs/dbraw/zinc/43/96/19/753439619.db2.gz RDIKQHXTYLWRIW-HZPDHXFCSA-N 1 3 308.470 0.565 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035634 753439623 /nfs/dbraw/zinc/43/96/23/753439623.db2.gz RDIKQHXTYLWRIW-HZPDHXFCSA-N 1 3 308.470 0.565 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046062142 753456475 /nfs/dbraw/zinc/45/64/75/753456475.db2.gz BKQBSTRRBMKOQQ-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046062142 753456477 /nfs/dbraw/zinc/45/64/77/753456477.db2.gz BKQBSTRRBMKOQQ-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)CN(CC)CC ZINC001128551903 754088497 /nfs/dbraw/zinc/08/84/97/754088497.db2.gz HSZNTDLPNLBVAW-OLZOCXBDSA-N 1 3 318.437 0.287 20 0 DCADHO CCN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001090451276 762281556 /nfs/dbraw/zinc/28/15/56/762281556.db2.gz FWUHACPDYKMBFF-SJORKVTESA-N 1 3 319.449 0.976 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@H](C)CC ZINC001128774363 754267303 /nfs/dbraw/zinc/26/73/03/754267303.db2.gz QCASXJUVKXKPDK-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@H](C)CC ZINC001128774363 754267308 /nfs/dbraw/zinc/26/73/08/754267308.db2.gz QCASXJUVKXKPDK-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001128774430 754267776 /nfs/dbraw/zinc/26/77/76/754267776.db2.gz SSMLQWXPLQMVQJ-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001128774430 754267784 /nfs/dbraw/zinc/26/77/84/754267784.db2.gz SSMLQWXPLQMVQJ-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047470998 754310539 /nfs/dbraw/zinc/31/05/39/754310539.db2.gz GPENVVFPCWPRAE-ULQDDVLXSA-N 1 3 321.465 0.774 20 0 DCADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047470998 754310543 /nfs/dbraw/zinc/31/05/43/754310543.db2.gz GPENVVFPCWPRAE-ULQDDVLXSA-N 1 3 321.465 0.774 20 0 DCADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047470998 754310548 /nfs/dbraw/zinc/31/05/48/754310548.db2.gz GPENVVFPCWPRAE-ULQDDVLXSA-N 1 3 321.465 0.774 20 0 DCADHO C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048061328 754597120 /nfs/dbraw/zinc/59/71/20/754597120.db2.gz BFYUGJZAATXUMH-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066967 754598973 /nfs/dbraw/zinc/59/89/73/754598973.db2.gz QMIGXRSTDXLIJT-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001062364583 754697682 /nfs/dbraw/zinc/69/76/82/754697682.db2.gz ZUSJPBGLWWZERG-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048589488 754815367 /nfs/dbraw/zinc/81/53/67/754815367.db2.gz JWPJFBOTMWIORS-ARILJUKYSA-N 1 3 322.453 0.171 20 0 DCADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001048589488 754815373 /nfs/dbraw/zinc/81/53/73/754815373.db2.gz JWPJFBOTMWIORS-ARILJUKYSA-N 1 3 322.453 0.171 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1)N(C)C ZINC001063101616 755105577 /nfs/dbraw/zinc/10/55/77/755105577.db2.gz WNJYQCGFKCRQKX-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1)N(C)C ZINC001063101616 755105580 /nfs/dbraw/zinc/10/55/80/755105580.db2.gz WNJYQCGFKCRQKX-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1)N(C)C ZINC001063498031 755190298 /nfs/dbraw/zinc/19/02/98/755190298.db2.gz JXEKJQJGZITLFP-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1)N(C)C ZINC001063498031 755190302 /nfs/dbraw/zinc/19/03/02/755190302.db2.gz JXEKJQJGZITLFP-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072289817 762428884 /nfs/dbraw/zinc/42/88/84/762428884.db2.gz GCYHNMKOCDOHJD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079802394 756012115 /nfs/dbraw/zinc/01/21/15/756012115.db2.gz HGQFEFPROQUGBV-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079802394 756012122 /nfs/dbraw/zinc/01/21/22/756012122.db2.gz HGQFEFPROQUGBV-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001080161358 756118124 /nfs/dbraw/zinc/11/81/24/756118124.db2.gz YMAPVSNOAAOWBM-YDZJUHGASA-N 1 3 319.449 0.696 20 0 DCADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001080161358 756118128 /nfs/dbraw/zinc/11/81/28/756118128.db2.gz YMAPVSNOAAOWBM-YDZJUHGASA-N 1 3 319.449 0.696 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054197449 756403577 /nfs/dbraw/zinc/40/35/77/756403577.db2.gz BSZZBGNBKABMAR-WBVHZDCISA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054197449 756403581 /nfs/dbraw/zinc/40/35/81/756403581.db2.gz BSZZBGNBKABMAR-WBVHZDCISA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054197447 756404121 /nfs/dbraw/zinc/40/41/21/756404121.db2.gz BSZZBGNBKABMAR-NVXWUHKLSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001054197447 756404123 /nfs/dbraw/zinc/40/41/23/756404123.db2.gz BSZZBGNBKABMAR-NVXWUHKLSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054737922 756622182 /nfs/dbraw/zinc/62/21/82/756622182.db2.gz PKCVMXVXBWYOIF-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653622 757214600 /nfs/dbraw/zinc/21/46/00/757214600.db2.gz UJHYHCVGIARNFJ-MYPHYYIGSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1)[NH+](C)C ZINC001082724055 757245310 /nfs/dbraw/zinc/24/53/10/757245310.db2.gz BVJROZOLGLQPOH-FVQBIDKESA-N 1 3 321.469 0.943 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC001082766729 757261200 /nfs/dbraw/zinc/26/12/00/757261200.db2.gz VMKIPKZXPFXRNQ-VNHYZAJKSA-N 1 3 306.410 0.815 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001082822206 757288788 /nfs/dbraw/zinc/28/87/88/757288788.db2.gz QTNXRYQTFDMESW-MGPQQGTHSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082822251 757288842 /nfs/dbraw/zinc/28/88/42/757288842.db2.gz TZIUGNKVIMLGDD-QLFBSQMISA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001082920310 757325175 /nfs/dbraw/zinc/32/51/75/757325175.db2.gz YSWANWASMSUOFR-UMVBOHGHSA-N 1 3 305.426 0.308 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001082920310 757325188 /nfs/dbraw/zinc/32/51/88/757325188.db2.gz YSWANWASMSUOFR-UMVBOHGHSA-N 1 3 305.426 0.308 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)CN3CCCC3)C2)CC1 ZINC001050756114 758030486 /nfs/dbraw/zinc/03/04/86/758030486.db2.gz RAUCKAOKAFXKHE-AWEZNQCLSA-N 1 3 322.453 0.271 20 0 DCADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001170337536 762611624 /nfs/dbraw/zinc/61/16/24/762611624.db2.gz CCIUXTMYNSSKPC-UHFFFAOYSA-N 1 3 322.800 0.519 20 0 DCADHO CC1CC(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)CCO2)C1 ZINC001051848266 758986763 /nfs/dbraw/zinc/98/67/63/758986763.db2.gz OECBOFSNKGGNGZ-SSDMNJCBSA-N 1 3 306.410 0.815 20 0 DCADHO COCCC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488019 762680434 /nfs/dbraw/zinc/68/04/34/762680434.db2.gz AUALGCKCYSGSLD-UHFFFAOYSA-N 1 3 324.425 0.274 20 0 DCADHO COCCC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488019 762680440 /nfs/dbraw/zinc/68/04/40/762680440.db2.gz AUALGCKCYSGSLD-UHFFFAOYSA-N 1 3 324.425 0.274 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052118619 759184004 /nfs/dbraw/zinc/18/40/04/759184004.db2.gz SZVMSIYMEYBHIR-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052118619 759184011 /nfs/dbraw/zinc/18/40/11/759184011.db2.gz SZVMSIYMEYBHIR-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091666933 767859917 /nfs/dbraw/zinc/85/99/17/767859917.db2.gz LHFLOTXLUIVSLT-VYDXJSESSA-N 1 3 309.454 0.632 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001091666933 767859924 /nfs/dbraw/zinc/85/99/24/767859924.db2.gz LHFLOTXLUIVSLT-VYDXJSESSA-N 1 3 309.454 0.632 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001147878480 767872928 /nfs/dbraw/zinc/87/29/28/767872928.db2.gz ZZYFOXRNLVWZLK-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001147878480 767872936 /nfs/dbraw/zinc/87/29/36/767872936.db2.gz ZZYFOXRNLVWZLK-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001147899975 767878741 /nfs/dbraw/zinc/87/87/41/767878741.db2.gz FJCHZBYPKWFMCX-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001147899975 767878749 /nfs/dbraw/zinc/87/87/49/767878749.db2.gz FJCHZBYPKWFMCX-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001086271914 759932004 /nfs/dbraw/zinc/93/20/04/759932004.db2.gz OFZOMNPWTMXPRT-BMFZPTHFSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001086271914 759932011 /nfs/dbraw/zinc/93/20/11/759932011.db2.gz OFZOMNPWTMXPRT-BMFZPTHFSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(C[NH2+]CCNC(=O)c2cnccc2N(C)C)ncn1 ZINC001148051183 767904754 /nfs/dbraw/zinc/90/47/54/767904754.db2.gz BFNYLAZXMHPFNO-UHFFFAOYSA-N 1 3 314.393 0.766 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1)C(N)=O ZINC001086364422 760106582 /nfs/dbraw/zinc/10/65/82/760106582.db2.gz CZCYUCHNPSUQRK-ZQDZILKHSA-N 1 3 324.469 0.608 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001086382513 760119570 /nfs/dbraw/zinc/11/95/70/760119570.db2.gz LGMSWBVOEMAHGW-AJNGGQMLSA-N 1 3 324.469 0.609 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791778 760173433 /nfs/dbraw/zinc/17/34/33/760173433.db2.gz YGYJGUDHJMNUOE-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCOCCN1C(=O)C=CC1=O)C2 ZINC001169110511 760594950 /nfs/dbraw/zinc/59/49/50/760594950.db2.gz LYKWYUGGTPUFJN-BTTYYORXSA-N 1 3 307.394 0.143 20 0 DCADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCOCCN1C(=O)C=CC1=O)C2 ZINC001169110511 760594954 /nfs/dbraw/zinc/59/49/54/760594954.db2.gz LYKWYUGGTPUFJN-BTTYYORXSA-N 1 3 307.394 0.143 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910339 769995066 /nfs/dbraw/zinc/99/50/66/769995066.db2.gz NZUGWHHRODRVMG-CABCVRRESA-N 1 3 317.474 0.408 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910339 769995073 /nfs/dbraw/zinc/99/50/73/769995073.db2.gz NZUGWHHRODRVMG-CABCVRRESA-N 1 3 317.474 0.408 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001148352753 767968255 /nfs/dbraw/zinc/96/82/55/767968255.db2.gz PIYCSUBBISMFOI-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO C[C@H](NCCNC(=O)CCCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001148365157 767973551 /nfs/dbraw/zinc/97/35/51/767973551.db2.gz JOMXCFWEGDOYOV-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCc2cnn(C)c2)C1 ZINC001129338455 760768132 /nfs/dbraw/zinc/76/81/32/760768132.db2.gz AEYGRNIAFLDYQY-OAHLLOKOSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCc2cnn(C)c2)C1 ZINC001129338455 760768139 /nfs/dbraw/zinc/76/81/39/760768139.db2.gz AEYGRNIAFLDYQY-OAHLLOKOSA-N 1 3 307.442 0.604 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108704001 761003616 /nfs/dbraw/zinc/00/36/16/761003616.db2.gz YWNFEJCECFXZHL-MJBXVCDLSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)C(C)C ZINC001148570736 768013978 /nfs/dbraw/zinc/01/39/78/768013978.db2.gz KKDZVIYTMHZXGE-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)C(C)C ZINC001148570736 768013983 /nfs/dbraw/zinc/01/39/83/768013983.db2.gz KKDZVIYTMHZXGE-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209331 761136418 /nfs/dbraw/zinc/13/64/18/761136418.db2.gz YWDQIVXNITYYCA-CABCVRRESA-N 1 3 320.441 0.512 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)CC ZINC001148570623 768010898 /nfs/dbraw/zinc/01/08/98/768010898.db2.gz ISTXFNQSECZSQF-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)CC ZINC001148570623 768010906 /nfs/dbraw/zinc/01/09/06/768010906.db2.gz ISTXFNQSECZSQF-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070534761 761297900 /nfs/dbraw/zinc/29/79/00/761297900.db2.gz MQCHCKDAULHISU-OFQRWUPVSA-N 1 3 319.453 0.808 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071254494 761744725 /nfs/dbraw/zinc/74/47/25/761744725.db2.gz HVNOURGIDJHQMQ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001098951466 762763458 /nfs/dbraw/zinc/76/34/58/762763458.db2.gz KAUDYGBGSOXSPK-MVKZVMCQSA-N 1 3 319.449 0.840 20 0 DCADHO CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001098951466 762763460 /nfs/dbraw/zinc/76/34/60/762763460.db2.gz KAUDYGBGSOXSPK-MVKZVMCQSA-N 1 3 319.449 0.840 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)N(C)C ZINC001099307050 762859734 /nfs/dbraw/zinc/85/97/34/762859734.db2.gz AHHMOAFJAWUUFL-MXWKQRLJSA-N 1 3 311.348 0.298 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001129421609 762934031 /nfs/dbraw/zinc/93/40/31/762934031.db2.gz ARMQSWHKMZVHIX-UKRRQHHQSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001129421609 762934035 /nfs/dbraw/zinc/93/40/35/762934035.db2.gz ARMQSWHKMZVHIX-UKRRQHHQSA-N 1 3 324.469 0.622 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1)C1CC1 ZINC001129444451 762936937 /nfs/dbraw/zinc/93/69/37/762936937.db2.gz SUNQHKCXTZMGKF-HUUCEWRRSA-N 1 3 313.442 0.228 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC001129437236 762943322 /nfs/dbraw/zinc/94/33/22/762943322.db2.gz YENQSRDYJJZCTD-MRXNPFEDSA-N 1 3 305.422 0.725 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947037 763065389 /nfs/dbraw/zinc/06/53/89/763065389.db2.gz GYGZRHLVSKCDJG-AWEZNQCLSA-N 1 3 300.447 0.195 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947330 763066120 /nfs/dbraw/zinc/06/61/20/763066120.db2.gz VIOLSWPWTMYFKY-AWEZNQCLSA-N 1 3 314.474 0.583 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cn1 ZINC001130187453 763165971 /nfs/dbraw/zinc/16/59/71/763165971.db2.gz VFWVIXIUBKTAST-HUUCEWRRSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cn1 ZINC001130187453 763165977 /nfs/dbraw/zinc/16/59/77/763165977.db2.gz VFWVIXIUBKTAST-HUUCEWRRSA-N 1 3 305.426 0.643 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCC(C)C)N(C)C ZINC001130201199 763185118 /nfs/dbraw/zinc/18/51/18/763185118.db2.gz XWODGPXOBKWNPK-ZIAGYGMSSA-N 1 3 314.474 0.583 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421883 763295315 /nfs/dbraw/zinc/29/53/15/763295315.db2.gz MSUFLDBTVLQPGO-UHFFFAOYSA-N 1 3 314.474 0.727 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421883 763295320 /nfs/dbraw/zinc/29/53/20/763295320.db2.gz MSUFLDBTVLQPGO-UHFFFAOYSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001130427366 763297962 /nfs/dbraw/zinc/29/79/62/763297962.db2.gz NDJOHJWBNXONGX-CQSZACIVSA-N 1 3 315.458 0.618 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1cnc(OC)nc1C ZINC001130419152 763304316 /nfs/dbraw/zinc/30/43/16/763304316.db2.gz MXPNUXQWPNSLBB-UHFFFAOYSA-N 1 3 323.441 0.730 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1cnc(OC)nc1C ZINC001130419152 763304327 /nfs/dbraw/zinc/30/43/27/763304327.db2.gz MXPNUXQWPNSLBB-UHFFFAOYSA-N 1 3 323.441 0.730 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001130419342 763305834 /nfs/dbraw/zinc/30/58/34/763305834.db2.gz WFAQWBBXTMXNCN-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001130419342 763305844 /nfs/dbraw/zinc/30/58/44/763305844.db2.gz WFAQWBBXTMXNCN-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001130446668 763310084 /nfs/dbraw/zinc/31/00/84/763310084.db2.gz ONUQEPDKTKOGPJ-CYBMUJFWSA-N 1 3 323.441 0.149 20 0 DCADHO CCCN(C)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130446668 763310097 /nfs/dbraw/zinc/31/00/97/763310097.db2.gz ONUQEPDKTKOGPJ-CYBMUJFWSA-N 1 3 323.441 0.149 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001100405737 763555171 /nfs/dbraw/zinc/55/51/71/763555171.db2.gz KXUKHWZJNQCDEQ-JXQTWKCFSA-N 1 3 322.453 0.234 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100406946 763555896 /nfs/dbraw/zinc/55/58/96/763555896.db2.gz SGOJOYKOYLUBQX-HIFPTAJRSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405932 763556417 /nfs/dbraw/zinc/55/64/17/763556417.db2.gz SULSKCBJFOYAPT-UHFFFAOYSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]Cc2cncn2C)C1)C1CC1 ZINC001100408175 763557045 /nfs/dbraw/zinc/55/70/45/763557045.db2.gz XHLXPHGXBVIUTB-PXCJXSSVSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100676658 763716559 /nfs/dbraw/zinc/71/65/59/763716559.db2.gz RJLGMVSUMMMWEW-WLYUNCDWSA-N 1 3 320.441 0.247 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001100683756 763723242 /nfs/dbraw/zinc/72/32/42/763723242.db2.gz QFLAIURCKFLHGD-RUXDESIVSA-N 1 3 312.458 0.336 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCN2CCCC2=O)C1 ZINC001100770910 763775504 /nfs/dbraw/zinc/77/55/04/763775504.db2.gz PSKHMMRQJOQCMT-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(NCC[NH2+]CCC(F)(F)F)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520371 763843869 /nfs/dbraw/zinc/84/38/69/763843869.db2.gz XIQRQAFIZQXIJC-QWKFWESOSA-N 1 3 321.343 0.508 20 0 DCADHO O=C(NCC[NH2+]CC[C@H]1CCCO1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519848 763845125 /nfs/dbraw/zinc/84/51/25/763845125.db2.gz LEKUTOMKOIMCIT-DGNOSDGRSA-N 1 3 323.437 0.125 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2cnnn2C)C1 ZINC001101039678 763932122 /nfs/dbraw/zinc/93/21/22/763932122.db2.gz XUYBKOHPKVFWEN-UHFFFAOYSA-N 1 3 308.430 0.140 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790995 764014091 /nfs/dbraw/zinc/01/40/91/764014091.db2.gz YMDSZOHMYSLOST-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)N(C)C ZINC001131844571 764060932 /nfs/dbraw/zinc/06/09/32/764060932.db2.gz JVIIWHQSAYWVGD-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1cc(CN2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@]3(C)C2)cn1 ZINC001101351022 764065321 /nfs/dbraw/zinc/06/53/21/764065321.db2.gz POQNNEQSKONINV-WBVHZDCISA-N 1 3 319.453 0.652 20 0 DCADHO C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314506 764590998 /nfs/dbraw/zinc/59/09/98/764590998.db2.gz MJIOMBGKDHNGCH-ZIAGYGMSSA-N 1 3 307.442 0.556 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2cnn(C)c2)C1 ZINC001132737845 764614050 /nfs/dbraw/zinc/61/40/50/764614050.db2.gz RQAUXMVWAQPVOQ-HNNXBMFYSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2cnn(C)c2)C1 ZINC001132737845 764614055 /nfs/dbraw/zinc/61/40/55/764614055.db2.gz RQAUXMVWAQPVOQ-HNNXBMFYSA-N 1 3 307.442 0.748 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102473826 764655220 /nfs/dbraw/zinc/65/52/20/764655220.db2.gz RXCNNIDVIGQTPS-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001102473826 764655224 /nfs/dbraw/zinc/65/52/24/764655224.db2.gz RXCNNIDVIGQTPS-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001102496239 764668827 /nfs/dbraw/zinc/66/88/27/764668827.db2.gz LHLNDVQOGVYXHA-ZIAGYGMSSA-N 1 3 312.458 0.101 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001102496239 764668832 /nfs/dbraw/zinc/66/88/32/764668832.db2.gz LHLNDVQOGVYXHA-ZIAGYGMSSA-N 1 3 312.458 0.101 20 0 DCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599175 764718042 /nfs/dbraw/zinc/71/80/42/764718042.db2.gz SESDGMSXMHATPC-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NCC2CCC2)CC[N@@H+]1C ZINC001132882634 764718662 /nfs/dbraw/zinc/71/86/62/764718662.db2.gz HFBDIAYJHCCBKY-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NCC2CCC2)CC[N@H+]1C ZINC001132882634 764718669 /nfs/dbraw/zinc/71/86/69/764718669.db2.gz HFBDIAYJHCCBKY-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102781803 764814966 /nfs/dbraw/zinc/81/49/66/764814966.db2.gz CAOVPKAMJSJQCZ-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001102781803 764814972 /nfs/dbraw/zinc/81/49/72/764814972.db2.gz CAOVPKAMJSJQCZ-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346375 764936121 /nfs/dbraw/zinc/93/61/21/764936121.db2.gz MAYUWWOSZSWSTJ-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCOCC(F)(F)F)N(C)C ZINC001133434180 764967994 /nfs/dbraw/zinc/96/79/94/764967994.db2.gz JWUJGYYWTZTXOH-LLVKDONJSA-N 1 3 313.364 0.857 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001103433735 765054696 /nfs/dbraw/zinc/05/46/96/765054696.db2.gz KIWBFTJVYIUABF-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001103433735 765054701 /nfs/dbraw/zinc/05/47/01/765054701.db2.gz KIWBFTJVYIUABF-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497431 765067464 /nfs/dbraw/zinc/06/74/64/765067464.db2.gz GDNPNMFCDBOKMI-UKRRQHHQSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819553 765149608 /nfs/dbraw/zinc/14/96/08/765149608.db2.gz GPIJWGZRUXBLJM-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819553 765149610 /nfs/dbraw/zinc/14/96/10/765149610.db2.gz GPIJWGZRUXBLJM-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001133820016 765151214 /nfs/dbraw/zinc/15/12/14/765151214.db2.gz VRRYIDULWILXIR-WDEREUQCSA-N 1 3 311.348 0.490 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001133823450 765152394 /nfs/dbraw/zinc/15/23/94/765152394.db2.gz GNYJBABIAIHERM-HUUCEWRRSA-N 1 3 313.442 0.372 20 0 DCADHO COc1cc(CNCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)ccn1 ZINC001133867193 765193133 /nfs/dbraw/zinc/19/31/33/765193133.db2.gz RLZOUJNFUMANRS-GXTWGEPZSA-N 1 3 306.410 0.494 20 0 DCADHO COc1cc(CNCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)ccn1 ZINC001133867193 765193137 /nfs/dbraw/zinc/19/31/37/765193137.db2.gz RLZOUJNFUMANRS-GXTWGEPZSA-N 1 3 306.410 0.494 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001133896672 765215802 /nfs/dbraw/zinc/21/58/02/765215802.db2.gz NXDGBBSLEUMMPT-AWEZNQCLSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001134583818 765580547 /nfs/dbraw/zinc/58/05/47/765580547.db2.gz OSXHPZZQUNFXPP-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001115144398 765606149 /nfs/dbraw/zinc/60/61/49/765606149.db2.gz WLDNBZPVCZTVOW-QLPKVWCKSA-N 1 3 319.453 0.661 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780673 765671741 /nfs/dbraw/zinc/67/17/41/765671741.db2.gz RGJAAZXARIACTM-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780674 765671834 /nfs/dbraw/zinc/67/18/34/765671834.db2.gz RGJAAZXARIACTM-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC1CCCCC1 ZINC001124867782 768317744 /nfs/dbraw/zinc/31/77/44/768317744.db2.gz YYKLJCVFQAPVIE-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001115303665 765685425 /nfs/dbraw/zinc/68/54/25/765685425.db2.gz HSDIYGFUZPBBKJ-QLPKVWCKSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001115303665 765685429 /nfs/dbraw/zinc/68/54/29/765685429.db2.gz HSDIYGFUZPBBKJ-QLPKVWCKSA-N 1 3 309.454 0.800 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1cncn1C)C(C)C ZINC001135477497 765950539 /nfs/dbraw/zinc/95/05/39/765950539.db2.gz GKQHZUPOAGEEOC-HNNXBMFYSA-N 1 3 309.458 0.992 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001135513740 765967332 /nfs/dbraw/zinc/96/73/32/765967332.db2.gz XBJLBQQEWBOOGY-UHFFFAOYSA-N 1 3 310.446 0.496 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C=CCCC1 ZINC001117379360 766040017 /nfs/dbraw/zinc/04/00/17/766040017.db2.gz KPFHGSDAJAGNKJ-CQSZACIVSA-N 1 3 310.442 0.163 20 0 DCADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccnc(CC(=O)OC)c1 ZINC001170875387 766195397 /nfs/dbraw/zinc/19/53/97/766195397.db2.gz XGUJSBOTQNDBMG-CHWSQXEVSA-N 1 3 307.350 0.360 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001136035888 766218730 /nfs/dbraw/zinc/21/87/30/766218730.db2.gz RYVYOVIYNBRTCR-NEPJUHHUSA-N 1 3 319.413 0.425 20 0 DCADHO COc1ccc(CC[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cn1 ZINC001118900446 766464869 /nfs/dbraw/zinc/46/48/69/766464869.db2.gz QHLDKEFGECADGY-AWEZNQCLSA-N 1 3 306.410 0.420 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(Cc2ccsc2)C[C@@H]1O ZINC001090811567 766624191 /nfs/dbraw/zinc/62/41/91/766624191.db2.gz CEWMMCXFBDOVKL-CABCVRRESA-N 1 3 323.462 0.895 20 0 DCADHO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1O ZINC001090811567 766624197 /nfs/dbraw/zinc/62/41/97/766624197.db2.gz CEWMMCXFBDOVKL-CABCVRRESA-N 1 3 323.462 0.895 20 0 DCADHO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1O ZINC001090811567 766624201 /nfs/dbraw/zinc/62/42/01/766624201.db2.gz CEWMMCXFBDOVKL-CABCVRRESA-N 1 3 323.462 0.895 20 0 DCADHO COc1ccc(CCNCc2cnnn2[C@H]2CCC[NH2+]C2)cn1 ZINC001119610657 766748381 /nfs/dbraw/zinc/74/83/81/766748381.db2.gz CBMXRIJJVNTLBH-AWEZNQCLSA-N 1 3 316.409 0.939 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(c2cnn(C3CC[NH+](C)CC3)c2)C1=O ZINC001119631121 766754778 /nfs/dbraw/zinc/75/47/78/766754778.db2.gz OGPSYLCQYORPKO-CYBMUJFWSA-N 1 3 320.397 0.136 20 0 DCADHO Cc1cnc([C@H](C)NCCCNC(=O)COCC[NH+](C)C)cn1 ZINC001171205067 767003355 /nfs/dbraw/zinc/00/33/55/767003355.db2.gz LAPQSBLRVRPLEO-AWEZNQCLSA-N 1 3 323.441 0.520 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1)N(C)C ZINC001160889065 767378535 /nfs/dbraw/zinc/37/85/35/767378535.db2.gz AXYFHBDYNJHKTA-LSDHHAIUSA-N 1 3 315.458 0.618 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593538 767485964 /nfs/dbraw/zinc/48/59/64/767485964.db2.gz PUWIOCJKJBFGFX-STQMWFEESA-N 1 3 300.447 0.336 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595095 767487124 /nfs/dbraw/zinc/48/71/24/767487124.db2.gz WZRVCSCSPOOYPO-ZIAGYGMSSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)C(C)C ZINC001146719588 767511121 /nfs/dbraw/zinc/51/11/21/767511121.db2.gz QUKLCGPHYKSHNO-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146710263 767508337 /nfs/dbraw/zinc/50/83/37/767508337.db2.gz ILVLRYSMJFUJCV-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146710263 767508341 /nfs/dbraw/zinc/50/83/41/767508341.db2.gz ILVLRYSMJFUJCV-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)C(C)C ZINC001146719588 767511118 /nfs/dbraw/zinc/51/11/18/767511118.db2.gz QUKLCGPHYKSHNO-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001121767521 767633748 /nfs/dbraw/zinc/63/37/48/767633748.db2.gz GCBZYFHQHMMKEM-DPGVGJJJSA-N 1 3 309.454 0.870 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121773732 767634726 /nfs/dbraw/zinc/63/47/26/767634726.db2.gz WRMSGWPFQHHYBL-FBVPLBQTSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@@H](CNC(=O)CNCC[NH3+])N1CCc2ccccc2C1 ZINC001121903032 767661503 /nfs/dbraw/zinc/66/15/03/767661503.db2.gz ATWSXGCQKRXLHU-INIZCTEOSA-N 1 3 304.438 0.488 20 0 DCADHO COc1ccnc(CNCCCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001171303544 767742394 /nfs/dbraw/zinc/74/23/94/767742394.db2.gz PTIKBVVMQMEETI-UHFFFAOYSA-N 1 3 318.421 0.782 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCN[C@H](CC)C(N)=O ZINC001147449634 767757984 /nfs/dbraw/zinc/75/79/84/767757984.db2.gz WFDPNXYDQVMDRV-CQSZACIVSA-N 1 3 314.474 0.858 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001138769542 768436280 /nfs/dbraw/zinc/43/62/80/768436280.db2.gz RRSPYHKPPSUMPH-WBVHZDCISA-N 1 3 308.422 0.802 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC001202991697 768504650 /nfs/dbraw/zinc/50/46/50/768504650.db2.gz PNOJATCASPZCFU-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN1CCN(CCC(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001143231310 768697898 /nfs/dbraw/zinc/69/78/98/768697898.db2.gz TUFCLGJPNGJHLD-ZDUSSCGKSA-N 1 3 318.425 0.065 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841897 768879451 /nfs/dbraw/zinc/87/94/51/768879451.db2.gz LZRASTUXGAQWEO-GJZGRUSLSA-N 1 3 313.442 0.180 20 0 DCADHO CCOCCN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194359 769032991 /nfs/dbraw/zinc/03/29/91/769032991.db2.gz SLLJAFVYKCRXAD-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)OC)CCCO1 ZINC001150480260 769107177 /nfs/dbraw/zinc/10/71/77/769107177.db2.gz JHLABTQZNJVQRA-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)OC)CCCO1 ZINC001150480260 769107185 /nfs/dbraw/zinc/10/71/85/769107185.db2.gz JHLABTQZNJVQRA-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150625392 769144445 /nfs/dbraw/zinc/14/44/45/769144445.db2.gz MDHZHJCHYUTKTM-OAHLLOKOSA-N 1 3 315.458 0.308 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150625392 769144452 /nfs/dbraw/zinc/14/44/52/769144452.db2.gz MDHZHJCHYUTKTM-OAHLLOKOSA-N 1 3 315.458 0.308 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001151044585 769243716 /nfs/dbraw/zinc/24/37/16/769243716.db2.gz TWCPDIMYBKMUAF-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001151044585 769243725 /nfs/dbraw/zinc/24/37/25/769243725.db2.gz TWCPDIMYBKMUAF-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CCCCC1 ZINC001151073283 769253034 /nfs/dbraw/zinc/25/30/34/769253034.db2.gz IKRNZIPKXJJNFV-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCCCC1 ZINC001151073283 769253036 /nfs/dbraw/zinc/25/30/36/769253036.db2.gz IKRNZIPKXJJNFV-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C(=O)CNCCNC(=O)CCC[NH+]1CCCCC1)C1CC1 ZINC001151361314 769320885 /nfs/dbraw/zinc/32/08/85/769320885.db2.gz FGNSWSGNOJHMEQ-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO COc1nccc(CNCCCNC(=O)CCCC[NH+](C)C)n1 ZINC001171579630 769324783 /nfs/dbraw/zinc/32/47/83/769324783.db2.gz ZHQVPVOWDUYEHS-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)CC ZINC001171762611 769370003 /nfs/dbraw/zinc/37/00/03/769370003.db2.gz HXVTUYJLQUHLGF-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO C[NH+](C)CCN1CCN([C@H]2CCN3C(=O)CC[C@@H]3C2)CCC1=O ZINC001172180752 769455741 /nfs/dbraw/zinc/45/57/41/769455741.db2.gz UZIPEBZDIFXFOP-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCN1CC[N@@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)CCC1=O ZINC001172180752 769455745 /nfs/dbraw/zinc/45/57/45/769455745.db2.gz UZIPEBZDIFXFOP-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCN1CC[N@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)CCC1=O ZINC001172180752 769455751 /nfs/dbraw/zinc/45/57/51/769455751.db2.gz UZIPEBZDIFXFOP-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001152147978 769491000 /nfs/dbraw/zinc/49/10/00/769491000.db2.gz NPSIWESJFPFLRS-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001152149013 769492107 /nfs/dbraw/zinc/49/21/07/769492107.db2.gz SGOHJSJDBLNLGJ-OKILXGFUSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001152149013 769492112 /nfs/dbraw/zinc/49/21/12/769492112.db2.gz SGOHJSJDBLNLGJ-OKILXGFUSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC001152445654 769557501 /nfs/dbraw/zinc/55/75/01/769557501.db2.gz LYWCOPAJMAGMCB-ZDUSSCGKSA-N 1 3 324.425 0.330 20 0 DCADHO CCCC[C@H]([NH2+]CCNC(=O)[C@H]1CCCCN1CC)C(N)=O ZINC001152458561 769565945 /nfs/dbraw/zinc/56/59/45/769565945.db2.gz QPYZNJLRVQHVTM-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001174691411 769779706 /nfs/dbraw/zinc/77/97/06/769779706.db2.gz KYWDUEVSNUHLPE-CJNGLKHVSA-N 1 3 306.410 0.783 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc2nc(N)ccc21 ZINC001153811536 769948012 /nfs/dbraw/zinc/94/80/12/769948012.db2.gz VXPUPRSHEXQIBC-UHFFFAOYSA-N 1 3 300.366 0.892 20 0 DCADHO COC(=O)C[C@@H]1CNCC[N@@H+]1C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235844716 769950902 /nfs/dbraw/zinc/95/09/02/769950902.db2.gz AWKLKXYAQUMIDT-QJPTWQEYSA-N 1 3 305.369 0.314 20 0 DCADHO COC(=O)C[C@@H]1CNCC[N@H+]1C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235844716 769950909 /nfs/dbraw/zinc/95/09/09/769950909.db2.gz AWKLKXYAQUMIDT-QJPTWQEYSA-N 1 3 305.369 0.314 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C ZINC001175768132 769959014 /nfs/dbraw/zinc/95/90/14/769959014.db2.gz LEPFRDKEDPPCOA-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176055742 770022652 /nfs/dbraw/zinc/02/26/52/770022652.db2.gz BWVPSFFDJWNCRJ-LBPRGKRZSA-N 1 3 307.398 0.033 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176055742 770022658 /nfs/dbraw/zinc/02/26/58/770022658.db2.gz BWVPSFFDJWNCRJ-LBPRGKRZSA-N 1 3 307.398 0.033 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](O)COC)N(C)C ZINC001154000802 770033496 /nfs/dbraw/zinc/03/34/96/770033496.db2.gz JXYKRWGRXVKGHK-HZSPNIEDSA-N 1 3 303.447 0.161 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](O)COC)N(C)C ZINC001154000802 770033508 /nfs/dbraw/zinc/03/35/08/770033508.db2.gz JXYKRWGRXVKGHK-HZSPNIEDSA-N 1 3 303.447 0.161 20 0 DCADHO COC(=O)c1cccc([C@H]2C[NH2+]CCN2C[C@H]2CNCCO2)c1 ZINC001237436001 770039901 /nfs/dbraw/zinc/03/99/01/770039901.db2.gz MVNPNTAIEIULAW-HZPDHXFCSA-N 1 3 319.405 0.408 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)C(=O)NC ZINC001176284676 770061112 /nfs/dbraw/zinc/06/11/12/770061112.db2.gz IVQPJCPRIVJNGK-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO [NH3+]CCS(=O)(=O)N1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001239075282 770174042 /nfs/dbraw/zinc/17/40/42/770174042.db2.gz RXBYUMDATPOWPY-TXEJJXNPSA-N 1 3 315.464 0.400 20 0 DCADHO CCN(CCN1CCCC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239085440 770175626 /nfs/dbraw/zinc/17/56/26/770175626.db2.gz SDSYIYQJQVNFKX-UHFFFAOYSA-N 1 3 303.472 0.734 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NCc1ccco1 ZINC001176971599 770263236 /nfs/dbraw/zinc/26/32/36/770263236.db2.gz DYTLBRHTHSLNFC-UHFFFAOYSA-N 1 3 324.425 0.332 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001176986241 770271230 /nfs/dbraw/zinc/27/12/30/770271230.db2.gz ITMUDUHYZPSMMH-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986022 770272023 /nfs/dbraw/zinc/27/20/23/770272023.db2.gz BINLAHYLPNIPHP-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCOCCOC ZINC001176986310 770273525 /nfs/dbraw/zinc/27/35/25/770273525.db2.gz KKCUJDDWBXMDMW-OAHLLOKOSA-N 1 3 315.458 0.620 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085963 770393722 /nfs/dbraw/zinc/39/37/22/770393722.db2.gz WDDRTVZJDANIFR-HUUCEWRRSA-N 1 3 324.473 0.691 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001155085963 770393734 /nfs/dbraw/zinc/39/37/34/770393734.db2.gz WDDRTVZJDANIFR-HUUCEWRRSA-N 1 3 324.473 0.691 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356781 770731514 /nfs/dbraw/zinc/73/15/14/770731514.db2.gz RLSGWRKFFIBOFK-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)[C@@H]2C)CC[N@@H+]1C ZINC001178736083 770849911 /nfs/dbraw/zinc/84/99/11/770849911.db2.gz NFROXZQGYWOAKG-ZQDZILKHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)[C@@H]2C)CC[N@H+]1C ZINC001178736083 770849918 /nfs/dbraw/zinc/84/99/18/770849918.db2.gz NFROXZQGYWOAKG-ZQDZILKHSA-N 1 3 324.469 0.384 20 0 DCADHO [NH3+]C1CCN(c2cccc(NCC3(O)CCOCC3)n2)CC1 ZINC001156712616 770902407 /nfs/dbraw/zinc/90/24/07/770902407.db2.gz HWRGNCKWRBJJEA-UHFFFAOYSA-N 1 3 306.410 0.963 20 0 DCADHO [NH3+]C1CCN(c2cccc(N[C@H]3CCC(=O)NC3=O)n2)CC1 ZINC001156722116 770906607 /nfs/dbraw/zinc/90/66/07/770906607.db2.gz QOKMKDFWZJIYEO-NSHDSACASA-N 1 3 303.366 0.226 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179434946 771004236 /nfs/dbraw/zinc/00/42/36/771004236.db2.gz FTIQJBDIIHSZJT-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001179764270 771012979 /nfs/dbraw/zinc/01/29/79/771012979.db2.gz WYSWZZSRAISNDO-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)[C@@H]1C ZINC001179857124 771026035 /nfs/dbraw/zinc/02/60/35/771026035.db2.gz UEIVCXQUXVSIDJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)[C@@H]1C ZINC001179857124 771026044 /nfs/dbraw/zinc/02/60/44/771026044.db2.gz UEIVCXQUXVSIDJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001179975827 771041779 /nfs/dbraw/zinc/04/17/79/771041779.db2.gz CVKBEUOAHOCYRL-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001179975827 771041783 /nfs/dbraw/zinc/04/17/83/771041783.db2.gz CVKBEUOAHOCYRL-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C)C(=O)NC1CC1 ZINC001180131788 771061167 /nfs/dbraw/zinc/06/11/67/771061167.db2.gz LWSOLHMCURXGND-IPYPFGDCSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C ZINC001180226839 771077639 /nfs/dbraw/zinc/07/76/39/771077639.db2.gz OQBYOHMGLYTFNC-IHRRRGAJSA-N 1 3 310.442 0.136 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001181652118 771326497 /nfs/dbraw/zinc/32/64/97/771326497.db2.gz JJXKUSRCHMXMMB-ZIAGYGMSSA-N 1 3 321.425 0.595 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001182614784 771522819 /nfs/dbraw/zinc/52/28/19/771522819.db2.gz QWONPHSMFDAJSL-JJRVBVJISA-N 1 3 324.469 0.148 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229518 771622583 /nfs/dbraw/zinc/62/25/83/771622583.db2.gz LGNOQEXCQIQLKN-CYBMUJFWSA-N 1 3 310.442 0.186 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001157589946 771638077 /nfs/dbraw/zinc/63/80/77/771638077.db2.gz GCBXCEILTWAPDV-AWEZNQCLSA-N 1 3 312.364 0.680 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183392446 771643683 /nfs/dbraw/zinc/64/36/83/771643683.db2.gz WEYHUAVKHPTZJQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183392446 771643685 /nfs/dbraw/zinc/64/36/85/771643685.db2.gz WEYHUAVKHPTZJQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001183450524 771650831 /nfs/dbraw/zinc/65/08/31/771650831.db2.gz SUSJXAAMVKSUJY-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@]1(N)CCc2cc(F)ccc2C1 ZINC001157720567 771658262 /nfs/dbraw/zinc/65/82/62/771658262.db2.gz LVYPWOQFZOOUNP-RDJZCZTQSA-N 1 3 321.396 0.459 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001157891351 771687881 /nfs/dbraw/zinc/68/78/81/771687881.db2.gz XBHDEDNECUKVMT-CABZTGNLSA-N 1 3 309.307 0.546 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2cc3c(cc2C1)OCO3 ZINC001157983619 771707649 /nfs/dbraw/zinc/70/76/49/771707649.db2.gz RJOZDHZUHVXAHH-LBPRGKRZSA-N 1 3 323.418 0.319 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CCC[NH+]2CCCCC2)C1=O ZINC001151362493 771708097 /nfs/dbraw/zinc/70/80/97/771708097.db2.gz XLWSVORYWYKWEB-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO N[C@@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)C1CCC2(CC1)OCCO2 ZINC001158215289 771742581 /nfs/dbraw/zinc/74/25/81/771742581.db2.gz MNMFLHIECKJXEU-BFHYXJOUSA-N 1 3 309.410 0.210 20 0 DCADHO C[C@](N)(CO)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158241190 771745049 /nfs/dbraw/zinc/74/50/49/771745049.db2.gz SJYMNHXLEGILDF-KOLCDFICSA-N 1 3 309.332 0.372 20 0 DCADHO O=C(CNC1CC[NH2+]CC1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327382 771760579 /nfs/dbraw/zinc/76/05/79/771760579.db2.gz FOKDEOTWEFEAQG-DLBZAZTESA-N 1 3 314.433 0.426 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cnnn2CC)CC[N@@H+]1C ZINC001158404804 771769637 /nfs/dbraw/zinc/76/96/37/771769637.db2.gz ZDINTXUIGQYQIP-LSDHHAIUSA-N 1 3 322.457 0.624 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cnnn2CC)CC[N@H+]1C ZINC001158404804 771769639 /nfs/dbraw/zinc/76/96/39/771769639.db2.gz ZDINTXUIGQYQIP-LSDHHAIUSA-N 1 3 322.457 0.624 20 0 DCADHO CN[C@@H](CO)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158554483 771789165 /nfs/dbraw/zinc/78/91/65/771789165.db2.gz FGYOKFXTKTXPJK-VYDXJSESSA-N 1 3 303.406 0.172 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184555437 771798516 /nfs/dbraw/zinc/79/85/16/771798516.db2.gz LDWOLTVCCSZHQY-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)[C@@H]2CCCO[C@H]12 ZINC001159084389 771857904 /nfs/dbraw/zinc/85/79/04/771857904.db2.gz JKVOAWYRTHYFEJ-TUVASFSCSA-N 1 3 311.426 0.108 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNCc1cn(C)nn1 ZINC001185087184 771859499 /nfs/dbraw/zinc/85/94/99/771859499.db2.gz WFHSYXAPXAAONR-KBPBESRZSA-N 1 3 322.457 0.341 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290493 771891313 /nfs/dbraw/zinc/89/13/13/771891313.db2.gz FQJFNGBFQTWIMH-YEJXKQKISA-N 1 3 313.467 0.027 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290493 771891315 /nfs/dbraw/zinc/89/13/15/771891315.db2.gz FQJFNGBFQTWIMH-YEJXKQKISA-N 1 3 313.467 0.027 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290494 771891383 /nfs/dbraw/zinc/89/13/83/771891383.db2.gz FQJFNGBFQTWIMH-ZSEKCTLFSA-N 1 3 313.467 0.027 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290494 771891386 /nfs/dbraw/zinc/89/13/86/771891386.db2.gz FQJFNGBFQTWIMH-ZSEKCTLFSA-N 1 3 313.467 0.027 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CCCC2)C1 ZINC001185407755 771916376 /nfs/dbraw/zinc/91/63/76/771916376.db2.gz ALSMEONMXFRLLL-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)CNCC[NH3+])[C@H]2C ZINC001159633584 771937645 /nfs/dbraw/zinc/93/76/45/771937645.db2.gz OAAABEHDXKAIAA-ZDUSSCGKSA-N 1 3 322.457 0.175 20 0 DCADHO C[C@@H]([NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664512 771940916 /nfs/dbraw/zinc/94/09/16/771940916.db2.gz FQYCHABBHALMPT-BPLDGKMQSA-N 1 3 304.394 0.231 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659563 771941338 /nfs/dbraw/zinc/94/13/38/771941338.db2.gz KLDUECCTOJYRQC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659563 771941339 /nfs/dbraw/zinc/94/13/39/771941339.db2.gz KLDUECCTOJYRQC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185659682 771941502 /nfs/dbraw/zinc/94/15/02/771941502.db2.gz OEMZMJUGSQDMLY-CJNGLKHVSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1)N(C)C ZINC001185716340 771948694 /nfs/dbraw/zinc/94/86/94/771948694.db2.gz SVAIWJOJRUDMMY-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001185731168 771950960 /nfs/dbraw/zinc/95/09/60/771950960.db2.gz OQCVTRJSUCAUMW-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915693 771976273 /nfs/dbraw/zinc/97/62/73/771976273.db2.gz LYSBIHIPSAEYFX-OAHLLOKOSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001159923763 771978234 /nfs/dbraw/zinc/97/82/34/771978234.db2.gz HKZYAJFUSPYVKE-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCc1cnn(C)c1)C1CC1 ZINC001159924722 771978241 /nfs/dbraw/zinc/97/82/41/771978241.db2.gz MMDIGWWTXZFTHB-OAHLLOKOSA-N 1 3 307.442 0.399 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C1CC1 ZINC001159931424 771979226 /nfs/dbraw/zinc/97/92/26/771979226.db2.gz CKXYXLBIAZBNEH-BLLLJJGKSA-N 1 3 324.469 0.337 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)C1=O ZINC001159933005 771981301 /nfs/dbraw/zinc/98/13/01/771981301.db2.gz XSARWMNVYHANLE-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO COc1nccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)n1 ZINC001159997375 771986227 /nfs/dbraw/zinc/98/62/27/771986227.db2.gz OEMUBNKZFRRBIF-UHFFFAOYSA-N 1 3 321.425 0.565 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001160003352 771986352 /nfs/dbraw/zinc/98/63/52/771986352.db2.gz KPGFQOODWWYWJV-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC1CCCC1)C1CCC1 ZINC001159997300 771986644 /nfs/dbraw/zinc/98/66/44/771986644.db2.gz KSSKAJIUKDQPBC-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(CCc2ccccn2)CC1 ZINC001160482804 772047773 /nfs/dbraw/zinc/04/77/73/772047773.db2.gz NHNOOZVECDADHI-INIZCTEOSA-N 1 3 319.453 0.225 20 0 DCADHO N[C@H](C(=O)N1CC(OCc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160491104 772049372 /nfs/dbraw/zinc/04/93/72/772049372.db2.gz SVXPSWHELXDARB-INIZCTEOSA-N 1 3 303.406 0.741 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCn2c(Br)cnc2C1 ZINC001160542391 772061591 /nfs/dbraw/zinc/06/15/91/772061591.db2.gz VIYFVSLFCSUDQL-QMMMGPOBSA-N 1 3 316.203 0.054 20 0 DCADHO COC(=O)CN(Cc1ccccc1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160657018 772089721 /nfs/dbraw/zinc/08/97/21/772089721.db2.gz BVYNWGTVONVLDD-MRXNPFEDSA-N 1 3 319.405 0.515 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@H]1c1nccs1 ZINC001160685897 772094937 /nfs/dbraw/zinc/09/49/37/772094937.db2.gz IXDLHFMQHQQQRD-VHSXEESVSA-N 1 3 300.453 0.826 20 0 DCADHO O=C([C@@H]1CNC[C@H](F)C1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780424 772110606 /nfs/dbraw/zinc/11/06/06/772110606.db2.gz RCDVGGXVCVBFQO-ZDRJDWQYSA-N 1 3 317.408 0.934 20 0 DCADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](C)N3CCCC3)C[C@H]1C[NH2+]CC2 ZINC001160811304 772114027 /nfs/dbraw/zinc/11/40/27/772114027.db2.gz NCXWZZHKAMYTRB-CKEIUWERSA-N 1 3 323.437 0.472 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187018151 772121018 /nfs/dbraw/zinc/12/10/18/772121018.db2.gz GCRWXXDVPROREQ-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889256 772133144 /nfs/dbraw/zinc/13/31/44/772133144.db2.gz GBPSZGBHLFMLSR-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414041 772219659 /nfs/dbraw/zinc/21/96/59/772219659.db2.gz SKJVCUKSOPXBHW-WUHRBBMRSA-N 1 3 311.426 0.631 20 0 DCADHO CN(C)CCN(C(=O)CCc1cncc(N)c1)[C@@H]1CCC[NH2+]C1 ZINC001161443361 772223931 /nfs/dbraw/zinc/22/39/31/772223931.db2.gz QVPUDGPBMRSKTF-MRXNPFEDSA-N 1 3 319.453 0.739 20 0 DCADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1C ZINC001161459242 772226781 /nfs/dbraw/zinc/22/67/81/772226781.db2.gz BPYIJCCBUYGHPD-AVGNSLFASA-N 1 3 309.410 0.128 20 0 DCADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H]1C ZINC001161459242 772226782 /nfs/dbraw/zinc/22/67/82/772226782.db2.gz BPYIJCCBUYGHPD-AVGNSLFASA-N 1 3 309.410 0.128 20 0 DCADHO c1nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)nc2c1CNCC2 ZINC001161463479 772227430 /nfs/dbraw/zinc/22/74/30/772227430.db2.gz DJXHHKIJTALYHI-CQSZACIVSA-N 1 3 302.426 0.361 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1CCCCC1)CC2 ZINC001161478142 772230926 /nfs/dbraw/zinc/23/09/26/772230926.db2.gz KVSVODFITAOLMO-ZQIUZPCESA-N 1 3 323.437 0.648 20 0 DCADHO CCOC(=O)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C[C@H]1C ZINC001161499568 772235585 /nfs/dbraw/zinc/23/55/85/772235585.db2.gz LFVSXNYKRAPNLI-HZSPNIEDSA-N 1 3 323.437 0.233 20 0 DCADHO N[C@@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001161509111 772236813 /nfs/dbraw/zinc/23/68/13/772236813.db2.gz ICCVBLZOAQHODL-MGZIPMFSSA-N 1 3 319.449 0.716 20 0 DCADHO COc1cc2c(cn1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001161526881 772239736 /nfs/dbraw/zinc/23/97/36/772239736.db2.gz KZWAJOSEDHWIBG-RHSMWYFYSA-N 1 3 316.405 0.174 20 0 DCADHO CC(C)(O)[C@H](N)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592401 772251044 /nfs/dbraw/zinc/25/10/44/772251044.db2.gz PHIPBKGLODQWEM-CQSZACIVSA-N 1 3 303.406 0.706 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106673 772266910 /nfs/dbraw/zinc/26/69/10/772266910.db2.gz PXWOLYPUUXPGPU-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158687 772276865 /nfs/dbraw/zinc/27/68/65/772276865.db2.gz UNYWNOWNQBBLIN-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCC(=O)N(CCNCC(N)=O)CCc1ccccc1 ZINC001162911850 772430781 /nfs/dbraw/zinc/43/07/81/772430781.db2.gz YHEPCHFTBVFJEQ-UHFFFAOYSA-N 1 3 320.437 0.084 20 0 DCADHO COC(=O)Cc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccn1 ZINC001163174875 772477382 /nfs/dbraw/zinc/47/73/82/772477382.db2.gz AHXVZTDDNMLFRU-DFBGVHRSSA-N 1 3 305.378 0.834 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN(c2cc3c(nn2)CCNC3)CC1 ZINC001163528582 772535564 /nfs/dbraw/zinc/53/55/64/772535564.db2.gz XUSRJKOYJGLHCY-UHFFFAOYSA-N 1 3 319.409 0.373 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163821126 772577380 /nfs/dbraw/zinc/57/73/80/772577380.db2.gz KWQWHUSUZJYZRM-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190222001 772603177 /nfs/dbraw/zinc/60/31/77/772603177.db2.gz WLELSKHWSOLMAR-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC001165718899 772757671 /nfs/dbraw/zinc/75/76/71/772757671.db2.gz SJSIESQGLQRYTO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001165717995 772757915 /nfs/dbraw/zinc/75/79/15/772757915.db2.gz CRWTXLZSCVYUTQ-UONOGXRCSA-N 1 3 315.458 0.210 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCOCC(F)F)N(C)C ZINC001166010489 772778382 /nfs/dbraw/zinc/77/83/82/772778382.db2.gz PBBDXJSDLNIGRO-CYBMUJFWSA-N 1 3 309.401 0.950 20 0 DCADHO Cn1c(Br)ccc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001191612667 772799276 /nfs/dbraw/zinc/79/92/76/772799276.db2.gz AUILCNQYMPPWQO-UHFFFAOYSA-N 1 3 316.203 0.862 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C)C1CC1 ZINC001166627245 772831563 /nfs/dbraw/zinc/83/15/63/772831563.db2.gz SZCVWWTUMUFPBF-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1cnccn1 ZINC001166676924 772838232 /nfs/dbraw/zinc/83/82/32/772838232.db2.gz DZEIECQBCLCADD-KGLIPLIRSA-N 1 3 305.426 0.975 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC001166707916 772845415 /nfs/dbraw/zinc/84/54/15/772845415.db2.gz KHEJZHPQYVSTRM-XJKSGUPXSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC001166707916 772845418 /nfs/dbraw/zinc/84/54/18/772845418.db2.gz KHEJZHPQYVSTRM-XJKSGUPXSA-N 1 3 320.437 0.884 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001166865975 772872694 /nfs/dbraw/zinc/87/26/94/772872694.db2.gz KCJNYFUYFMNZDY-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203704719 772920129 /nfs/dbraw/zinc/92/01/29/772920129.db2.gz ANLLCBWGYSAGHM-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC)CC1)N(C)C ZINC001206302483 773064663 /nfs/dbraw/zinc/06/46/63/773064663.db2.gz ZQNCEBJBPHYFDY-JSGCOSHPSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCN(c2cncc(C(=O)N3CC[N@@H+]4CC[C@@H]4C3)c2)CC1 ZINC001193944435 773135917 /nfs/dbraw/zinc/13/59/17/773135917.db2.gz CMPKDLAGQBFPRP-OAHLLOKOSA-N 1 3 315.421 0.364 20 0 DCADHO CN1CCN(c2cncc(C(=O)N3CC[N@H+]4CC[C@@H]4C3)c2)CC1 ZINC001193944435 773135919 /nfs/dbraw/zinc/13/59/19/773135919.db2.gz CMPKDLAGQBFPRP-OAHLLOKOSA-N 1 3 315.421 0.364 20 0 DCADHO COCCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002736 773137376 /nfs/dbraw/zinc/13/73/76/773137376.db2.gz YETRRZSXTPCUIL-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002736 773137380 /nfs/dbraw/zinc/13/73/80/773137380.db2.gz YETRRZSXTPCUIL-HUUCEWRRSA-N 1 3 313.442 0.134 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206953362 773147239 /nfs/dbraw/zinc/14/72/39/773147239.db2.gz FMAFNQJKTWVLNE-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203791949 773168841 /nfs/dbraw/zinc/16/88/41/773168841.db2.gz MJXXIBUSFXTBFP-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cc[nH]c(=O)c3)CC[C@@H]2C1 ZINC001207121821 773174827 /nfs/dbraw/zinc/17/48/27/773174827.db2.gz MWBSIDROGDVHIN-HZPDHXFCSA-N 1 3 321.421 0.956 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cc[nH]c(=O)c3)CC[C@@H]2C1 ZINC001207121821 773174828 /nfs/dbraw/zinc/17/48/28/773174828.db2.gz MWBSIDROGDVHIN-HZPDHXFCSA-N 1 3 321.421 0.956 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208015165 773373885 /nfs/dbraw/zinc/37/38/85/773373885.db2.gz ZWGXGJUFDFCJBQ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208015165 773373893 /nfs/dbraw/zinc/37/38/93/773373893.db2.gz ZWGXGJUFDFCJBQ-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC)C2)CC[N@@H+]1C ZINC001208073350 773393933 /nfs/dbraw/zinc/39/39/33/773393933.db2.gz IPXIBEPTHYPRBA-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC)C2)CC[N@H+]1C ZINC001208073350 773393941 /nfs/dbraw/zinc/39/39/41/773393941.db2.gz IPXIBEPTHYPRBA-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475483 773471782 /nfs/dbraw/zinc/47/17/82/773471782.db2.gz VJVSGHCZHNNOPV-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475483 773471784 /nfs/dbraw/zinc/47/17/84/773471784.db2.gz VJVSGHCZHNNOPV-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO COCCCN1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195873977 773495100 /nfs/dbraw/zinc/49/51/00/773495100.db2.gz OQEYZEOMGPZIIU-MRXNPFEDSA-N 1 3 309.454 0.899 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408728 773602769 /nfs/dbraw/zinc/60/27/69/773602769.db2.gz WWGYAZCMMJDSNN-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC1CC1)C(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420055 773603964 /nfs/dbraw/zinc/60/39/64/773603964.db2.gz RLTWMSMKGWIZNJ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209446773 773605939 /nfs/dbraw/zinc/60/59/39/773605939.db2.gz VEKSNBKRQAUWAW-HNNXBMFYSA-N 1 3 307.442 0.761 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001209456344 773608271 /nfs/dbraw/zinc/60/82/71/773608271.db2.gz ZUOQAVXKPGPCJI-ZDUSSCGKSA-N 1 3 320.441 0.714 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)C(C)C ZINC001210189395 773682628 /nfs/dbraw/zinc/68/26/28/773682628.db2.gz DVPOFKLDJJUSPL-HIFRSBDPSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC001210217627 773686371 /nfs/dbraw/zinc/68/63/71/773686371.db2.gz KIHOXJUTFFKWKG-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001210494740 773713737 /nfs/dbraw/zinc/71/37/37/773713737.db2.gz XDSVHSAXMUCPDD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001210494740 773713742 /nfs/dbraw/zinc/71/37/42/773713742.db2.gz XDSVHSAXMUCPDD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673675 773729007 /nfs/dbraw/zinc/72/90/07/773729007.db2.gz GBDSLSJNQDMYNV-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673675 773729010 /nfs/dbraw/zinc/72/90/10/773729010.db2.gz GBDSLSJNQDMYNV-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)N1CCCCC1 ZINC001152340688 773758587 /nfs/dbraw/zinc/75/85/87/773758587.db2.gz UGYGGGISERTRGS-UHFFFAOYSA-N 1 3 324.469 0.581 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001211064663 773765374 /nfs/dbraw/zinc/76/53/74/773765374.db2.gz PHGIGLNTRVOFAS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001211064663 773765379 /nfs/dbraw/zinc/76/53/79/773765379.db2.gz PHGIGLNTRVOFAS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001211257329 773786675 /nfs/dbraw/zinc/78/66/75/773786675.db2.gz QWTVVEWOZYAJHV-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211270225 773788560 /nfs/dbraw/zinc/78/85/60/773788560.db2.gz YPKNRWOGEJCGPG-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826239 773814356 /nfs/dbraw/zinc/81/43/56/773814356.db2.gz RYULACDITMSRLS-XEVLESSRSA-N 1 3 313.442 0.082 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1OC ZINC001213678330 773874807 /nfs/dbraw/zinc/87/48/07/773874807.db2.gz PQKMFXQVBCWFDY-BFHYXJOUSA-N 1 3 303.422 0.892 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1OC ZINC001213678330 773874810 /nfs/dbraw/zinc/87/48/10/773874810.db2.gz PQKMFXQVBCWFDY-BFHYXJOUSA-N 1 3 303.422 0.892 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001152446013 773907889 /nfs/dbraw/zinc/90/78/89/773907889.db2.gz RCXKTABTUJCNRC-OAHLLOKOSA-N 1 3 320.437 0.466 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845432 774018508 /nfs/dbraw/zinc/01/85/08/774018508.db2.gz UGQNOYWPUAHAIC-RBSFLKMASA-N 1 3 324.469 0.147 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845432 774018513 /nfs/dbraw/zinc/01/85/13/774018513.db2.gz UGQNOYWPUAHAIC-RBSFLKMASA-N 1 3 324.469 0.147 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC)C2)C1 ZINC001215380879 774066655 /nfs/dbraw/zinc/06/66/55/774066655.db2.gz FFMVXAGYQSIYOE-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC)C2)C1 ZINC001215380879 774066659 /nfs/dbraw/zinc/06/66/59/774066659.db2.gz FFMVXAGYQSIYOE-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453442 774073862 /nfs/dbraw/zinc/07/38/62/774073862.db2.gz BFCRYTVTBVDLSC-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215550621 774082750 /nfs/dbraw/zinc/08/27/50/774082750.db2.gz CIKACBCIJNHNPX-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](COCC(=O)N1C[C@@H](C)[C@H](NCCF)C1)[NH+]1CCCC1 ZINC001215599151 774085014 /nfs/dbraw/zinc/08/50/14/774085014.db2.gz SVFIAIQRCGNKHD-QLFBSQMISA-N 1 3 315.433 0.893 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOC1CCC1 ZINC001215680541 774087724 /nfs/dbraw/zinc/08/77/24/774087724.db2.gz ASIHJTIEXKUOQT-IUODEOHRSA-N 1 3 306.410 0.958 20 0 DCADHO CN1CCN(c2ccncc2C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC001199358817 774095975 /nfs/dbraw/zinc/09/59/75/774095975.db2.gz CTWAXUISECIGOE-AWEZNQCLSA-N 1 3 317.437 0.657 20 0 DCADHO CN1CCN(c2ccncc2C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001199358817 774095978 /nfs/dbraw/zinc/09/59/78/774095978.db2.gz CTWAXUISECIGOE-AWEZNQCLSA-N 1 3 317.437 0.657 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001216511764 774119973 /nfs/dbraw/zinc/11/99/73/774119973.db2.gz ZHRSBLLGKACRJS-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001216511765 774119983 /nfs/dbraw/zinc/11/99/83/774119983.db2.gz ZHRSBLLGKACRJS-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001216511579 774120133 /nfs/dbraw/zinc/12/01/33/774120133.db2.gz VCVHLPFRKCVAGL-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001216511579 774120140 /nfs/dbraw/zinc/12/01/40/774120140.db2.gz VCVHLPFRKCVAGL-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C)C(N)=O ZINC001216834847 774140565 /nfs/dbraw/zinc/14/05/65/774140565.db2.gz ZSOSGUQGAWWLSO-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(Nc1nnc(Br)s1)[C@H]1C[NH2+]CC12CNC2 ZINC001218511385 774231873 /nfs/dbraw/zinc/23/18/73/774231873.db2.gz PSEFFNLUUINMNW-RXMQYKEDSA-N 1 3 318.200 0.048 20 0 DCADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)n2ncnc2n1 ZINC001218529151 774239099 /nfs/dbraw/zinc/23/90/99/774239099.db2.gz YXXQJBLVYQWRMG-NSHDSACASA-N 1 3 305.386 0.430 20 0 DCADHO CCOC(=O)c1c(C)nsc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218545453 774242959 /nfs/dbraw/zinc/24/29/59/774242959.db2.gz BYRGTXOPTXDBAR-MRVPVSSYSA-N 1 3 300.384 0.633 20 0 DCADHO Cc1noc([N-]C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c1C(N)=O ZINC001218551542 774245068 /nfs/dbraw/zinc/24/50/68/774245068.db2.gz PFDRJBXSGIKLLM-JTQLQIEISA-N 1 3 311.386 0.516 20 0 DCADHO Cc1noc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1C(N)=O ZINC001218551542 774245071 /nfs/dbraw/zinc/24/50/71/774245071.db2.gz PFDRJBXSGIKLLM-JTQLQIEISA-N 1 3 311.386 0.516 20 0 DCADHO Cn1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(C(F)(F)F)n1 ZINC001218599119 774260262 /nfs/dbraw/zinc/26/02/62/774260262.db2.gz SMXYEFBECMHNPN-ZETCQYMHSA-N 1 3 303.288 0.186 20 0 DCADHO NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218666711 774277221 /nfs/dbraw/zinc/27/72/21/774277221.db2.gz RUEKAMLRFMNHOE-LURJTMIESA-N 1 3 320.180 0.492 20 0 DCADHO NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218666712 774277416 /nfs/dbraw/zinc/27/74/16/774277416.db2.gz RUEKAMLRFMNHOE-ZCFIWIBFSA-N 1 3 320.180 0.492 20 0 DCADHO CCOc1cc(N)n(C(=O)[C@@H](N)CCCC[NH+](C)C)c(=N)n1 ZINC001218681247 774279556 /nfs/dbraw/zinc/27/95/56/774279556.db2.gz SOWYLQPRVLMKEF-JTQLQIEISA-N 1 3 310.402 0.043 20 0 DCADHO COc1nc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(C)c(OC)n1 ZINC001218768630 774300274 /nfs/dbraw/zinc/30/02/74/774300274.db2.gz QYVHRGZFTVITPV-JTQLQIEISA-N 1 3 309.370 0.068 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218935500 774330537 /nfs/dbraw/zinc/33/05/37/774330537.db2.gz GDKUSRYPEKKJOJ-INIZCTEOSA-N 1 3 313.405 0.617 20 0 DCADHO O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001218994997 774344404 /nfs/dbraw/zinc/34/44/04/774344404.db2.gz QUVHFTUQFYJZRC-GFCCVEGCSA-N 1 3 321.402 0.005 20 0 DCADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1COC2(CNC2)CN1 ZINC001218997125 774344498 /nfs/dbraw/zinc/34/44/98/774344498.db2.gz RXEYMBXNHAXKIE-HIFRSBDPSA-N 1 3 316.405 0.032 20 0 DCADHO O=C(Nc1ccc2c(c1)CCCC(=O)N2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219012671 774347385 /nfs/dbraw/zinc/34/73/85/774347385.db2.gz BNTFVPCPLFNYIE-ZDUSSCGKSA-N 1 3 314.389 0.709 20 0 DCADHO CO[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219029790 774350433 /nfs/dbraw/zinc/35/04/33/774350433.db2.gz NUTWLRVKUHQJML-ZIAGYGMSSA-N 1 3 305.378 0.874 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219028012 774350501 /nfs/dbraw/zinc/35/05/01/774350501.db2.gz LKMQGAJOTSKARP-MLGOLLRUSA-N 1 3 302.378 0.059 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200704576 774394921 /nfs/dbraw/zinc/39/49/21/774394921.db2.gz NEELCLXPOMEFPR-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCCF)C1)N(C)C ZINC001201429742 774509729 /nfs/dbraw/zinc/50/97/29/774509729.db2.gz HZWXHCRPLIYGRB-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO COCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201493730 774517302 /nfs/dbraw/zinc/51/73/02/774517302.db2.gz JFTKOFHTRWAKEC-OAHLLOKOSA-N 1 3 324.425 0.586 20 0 DCADHO CCOC(=O)c1cc(N)cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219522220 774520980 /nfs/dbraw/zinc/52/09/80/774520980.db2.gz JFSVEGVJBPNLQL-ZDUSSCGKSA-N 1 3 318.377 0.193 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219532594 774526849 /nfs/dbraw/zinc/52/68/49/774526849.db2.gz AULZTSYJRSWURH-UHIISALHSA-N 1 3 313.361 0.366 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219532594 774526854 /nfs/dbraw/zinc/52/68/54/774526854.db2.gz AULZTSYJRSWURH-UHIISALHSA-N 1 3 313.361 0.366 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC001201677764 774536160 /nfs/dbraw/zinc/53/61/60/774536160.db2.gz CUUMHKPPWVBYIP-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)C2CCC3(CC2)OCCO3)C[NH2+]1 ZINC001219683963 774578240 /nfs/dbraw/zinc/57/82/40/774578240.db2.gz HSBSDOPDWPLXLS-BZPMIXESSA-N 1 3 311.426 0.361 20 0 DCADHO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1CC1 ZINC001219694977 774582473 /nfs/dbraw/zinc/58/24/73/774582473.db2.gz OSZMDMJPWWJAJW-UBHSHLNASA-N 1 3 310.442 0.348 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219848563 774627149 /nfs/dbraw/zinc/62/71/49/774627149.db2.gz ZDLXMYUMWLHVQW-NBFUAULTSA-N 1 3 323.437 0.171 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219998746 774664455 /nfs/dbraw/zinc/66/44/55/774664455.db2.gz AKZIVJTVDUZWTM-PMPSAXMXSA-N 1 3 303.406 0.663 20 0 DCADHO N[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]C1 ZINC001219999354 774664722 /nfs/dbraw/zinc/66/47/22/774664722.db2.gz QQJBZXIKJMPOKL-DOTOQJQBSA-N 1 3 302.422 0.631 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202495525 774721442 /nfs/dbraw/zinc/72/14/42/774721442.db2.gz FWUQCJJDPZBOIH-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@@H]1O ZINC001220276468 774754142 /nfs/dbraw/zinc/75/41/42/774754142.db2.gz BFKGNDFAJNEJCI-UPJWGTAASA-N 1 3 319.396 0.535 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc(C(F)(F)F)ccn1 ZINC001220390276 774792177 /nfs/dbraw/zinc/79/21/77/774792177.db2.gz WIWYXWMVOUMCCV-JTQLQIEISA-N 1 3 322.356 0.736 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202518129 774836210 /nfs/dbraw/zinc/83/62/10/774836210.db2.gz NSQBWDMJJPQBPQ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220709270 774896639 /nfs/dbraw/zinc/89/66/39/774896639.db2.gz VJMIWPLTBGOJAG-ZYHUDNBSSA-N 1 3 310.785 0.386 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC1Oc2ccccc2O1 ZINC001220708729 774897494 /nfs/dbraw/zinc/89/74/94/774897494.db2.gz FSDGLQIHUSXNQS-LBPRGKRZSA-N 1 3 307.394 0.959 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001220958180 774963044 /nfs/dbraw/zinc/96/30/44/774963044.db2.gz IJOWXSJUNGXWIW-QWRGUYRKSA-N 1 3 315.826 0.909 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC001220972532 774966163 /nfs/dbraw/zinc/96/61/63/774966163.db2.gz HDDKQQLSQARJMW-JTQLQIEISA-N 1 3 307.320 0.518 20 0 DCADHO CN[C@@H](CO)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220976938 774967087 /nfs/dbraw/zinc/96/70/87/774967087.db2.gz UPRRDLNYSUXGDA-HNNXBMFYSA-N 1 3 323.412 0.435 20 0 DCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CN ZINC001221010297 774977132 /nfs/dbraw/zinc/97/71/32/774977132.db2.gz DXSJBSZAGGPSHH-GJZGRUSLSA-N 1 3 304.438 0.689 20 0 DCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CN ZINC001221010297 774977135 /nfs/dbraw/zinc/97/71/35/774977135.db2.gz DXSJBSZAGGPSHH-GJZGRUSLSA-N 1 3 304.438 0.689 20 0 DCADHO COc1ncccc1[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001221022141 774981157 /nfs/dbraw/zinc/98/11/57/774981157.db2.gz UKSJSRWEZPVORG-LSDHHAIUSA-N 1 3 318.421 0.984 20 0 DCADHO CN[C@@H](CO)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221033458 774983745 /nfs/dbraw/zinc/98/37/45/774983745.db2.gz FCQMQFZVSIWSHF-GJZGRUSLSA-N 1 3 309.385 0.563 20 0 DCADHO O=C(N[C@@H](c1cncc(F)c1)C1CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221049088 774985646 /nfs/dbraw/zinc/98/56/46/774985646.db2.gz LXPZZZFRVCAMQU-UONOGXRCSA-N 1 3 304.369 0.597 20 0 DCADHO CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C(=O)N(C)C ZINC001221278393 775053758 /nfs/dbraw/zinc/05/37/58/775053758.db2.gz QWVCHAVYFXYACZ-IHRRRGAJSA-N 1 3 314.474 0.665 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H](O)c1cc2ccccc2o1 ZINC001221328748 775069763 /nfs/dbraw/zinc/06/97/63/775069763.db2.gz CMZGAEPYPWSFLS-NWDGAFQWSA-N 1 3 323.418 0.602 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cncc2ccccc21 ZINC001221330489 775071203 /nfs/dbraw/zinc/07/12/03/775071203.db2.gz ALIAVVLITXEYIS-AWEZNQCLSA-N 1 3 304.419 0.870 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221376422 775080611 /nfs/dbraw/zinc/08/06/11/775080611.db2.gz CZRKIDJRIANXRW-HOTGVXAUSA-N 1 3 307.438 0.938 20 0 DCADHO O=C(N[C@@H](c1ccccc1)c1cccnn1)[C@H]1C[NH2+]CC12CNC2 ZINC001221386828 775082600 /nfs/dbraw/zinc/08/26/00/775082600.db2.gz WPEYNEGQLCFYED-ZBFHGGJFSA-N 1 3 323.400 0.491 20 0 DCADHO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397171 775085918 /nfs/dbraw/zinc/08/59/18/775085918.db2.gz GUKIFCWAPPUMQB-MWDXBVQZSA-N 1 3 315.417 0.584 20 0 DCADHO O=C(N[C@@H]1CCc2c1cccc2O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221395337 775086161 /nfs/dbraw/zinc/08/61/61/775086161.db2.gz SRJCSJMNEJSPGN-JDSLSITLSA-N 1 3 301.390 0.695 20 0 DCADHO COc1cccc([C@@H](C[NH3+])NC(=O)c2ccc(CN)nc2)c1 ZINC001221402435 775087549 /nfs/dbraw/zinc/08/75/49/775087549.db2.gz ACAAIHVPPGVUIX-OAHLLOKOSA-N 1 3 300.362 0.979 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)Cc2cncn2C)[C@H](C)C1 ZINC001221406327 775090633 /nfs/dbraw/zinc/09/06/33/775090633.db2.gz FWAMBIJGSNYUQW-VHDGCEQUSA-N 1 3 307.442 0.525 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)Cc2cncn2C)[C@H](C)C1 ZINC001221406327 775090639 /nfs/dbraw/zinc/09/06/39/775090639.db2.gz FWAMBIJGSNYUQW-VHDGCEQUSA-N 1 3 307.442 0.525 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]1C1CC1 ZINC001221409437 775091694 /nfs/dbraw/zinc/09/16/94/775091694.db2.gz UGBIBQCQOCRPAR-QPSCCSFWSA-N 1 3 322.453 0.348 20 0 DCADHO c1cc(CN2CCOC[C@@]3(CNCCO3)C2)cc2c1C[NH2+]C2 ZINC001222190463 775296437 /nfs/dbraw/zinc/29/64/37/775296437.db2.gz BUYRWDHJJVXYIW-QGZVFWFLSA-N 1 3 303.406 0.481 20 0 DCADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281198 775703934 /nfs/dbraw/zinc/70/39/34/775703934.db2.gz IQDLKSPJRCEEFT-FPCVCCKLSA-N 1 3 321.465 0.965 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001226765754 775874877 /nfs/dbraw/zinc/87/48/77/775874877.db2.gz DWKPIOWPXDASDR-JHJVBQTASA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C)N(C)C ZINC001228661019 776111395 /nfs/dbraw/zinc/11/13/95/776111395.db2.gz LSKGPZISSCCVLJ-MCIONIFRSA-N 1 3 312.458 0.432 20 0 DCADHO Cn1nccc1CCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999263 776145893 /nfs/dbraw/zinc/14/58/93/776145893.db2.gz QTLHTINKEHVWGM-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC ZINC001229869106 776231424 /nfs/dbraw/zinc/23/14/24/776231424.db2.gz XLDFIDUPDPJFTQ-RRFJBIMHSA-N 1 3 315.458 0.353 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001067009846 776613677 /nfs/dbraw/zinc/61/36/77/776613677.db2.gz CQBWQHLBHWVYLN-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001067009846 776613683 /nfs/dbraw/zinc/61/36/83/776613683.db2.gz CQBWQHLBHWVYLN-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489500 777316368 /nfs/dbraw/zinc/31/63/68/777316368.db2.gz UJFAPBGLTVOSKO-HILOLKJVSA-N 1 3 319.449 0.794 20 0 DCADHO CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489500 777316372 /nfs/dbraw/zinc/31/63/72/777316372.db2.gz UJFAPBGLTVOSKO-HILOLKJVSA-N 1 3 319.449 0.794 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC001041713221 777443363 /nfs/dbraw/zinc/44/33/63/777443363.db2.gz FXKITVLKXYARAQ-RHSMWYFYSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC001041713221 777443365 /nfs/dbraw/zinc/44/33/65/777443365.db2.gz FXKITVLKXYARAQ-RHSMWYFYSA-N 1 3 318.421 0.913 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H]2CCN(CCO)[C@@H]2C1)[NH+]1CCCC1 ZINC001042187590 777764820 /nfs/dbraw/zinc/76/48/20/777764820.db2.gz NNYRWDPXSOYSRI-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1)N1CCCC1 ZINC001042187590 777764828 /nfs/dbraw/zinc/76/48/28/777764828.db2.gz NNYRWDPXSOYSRI-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1)N1CCCC1 ZINC001042187590 777764834 /nfs/dbraw/zinc/76/48/34/777764834.db2.gz NNYRWDPXSOYSRI-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001278032633 945107693 /nfs/dbraw/zinc/10/76/93/945107693.db2.gz VBKKKOKGVKCZJG-OAHLLOKOSA-N 1 3 310.486 0.990 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001278032633 945107700 /nfs/dbraw/zinc/10/77/00/945107700.db2.gz VBKKKOKGVKCZJG-OAHLLOKOSA-N 1 3 310.486 0.990 20 0 DCADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@@H]4COC(C)(C)O4)CC3)[C@H]2C1 ZINC001278067291 945123963 /nfs/dbraw/zinc/12/39/63/945123963.db2.gz SMYZOXFGDDGTON-RDBSUJKOSA-N 1 3 323.437 0.280 20 0 DCADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@@H]4COC(C)(C)O4)CC3)[C@H]2C1 ZINC001278067291 945123966 /nfs/dbraw/zinc/12/39/66/945123966.db2.gz SMYZOXFGDDGTON-RDBSUJKOSA-N 1 3 323.437 0.280 20 0 DCADHO CN1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278149053 945155816 /nfs/dbraw/zinc/15/58/16/945155816.db2.gz VRCWPHLVNZYUHN-CKEIUWERSA-N 1 3 317.437 0.690 20 0 DCADHO CN1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278149053 945155820 /nfs/dbraw/zinc/15/58/20/945155820.db2.gz VRCWPHLVNZYUHN-CKEIUWERSA-N 1 3 317.437 0.690 20 0 DCADHO CN(C)C(=O)[C@H]1COCCC12C[NH+](C[C@H]1CCCN(C)C1)C2 ZINC001278149092 945157227 /nfs/dbraw/zinc/15/72/27/945157227.db2.gz WFRQYCWXAGOMBJ-LSDHHAIUSA-N 1 3 309.454 0.755 20 0 DCADHO CC(C)N(CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC(N)=O ZINC001317694566 945165797 /nfs/dbraw/zinc/16/57/97/945165797.db2.gz GSAZIBPAZBUXMX-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO CCCN1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266264747 939035489 /nfs/dbraw/zinc/03/54/89/939035489.db2.gz HVNLKGGPONNEPP-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CCCN1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266264747 939035495 /nfs/dbraw/zinc/03/54/95/939035495.db2.gz HVNLKGGPONNEPP-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267032216 939318125 /nfs/dbraw/zinc/31/81/25/939318125.db2.gz FLGYOXNEPAJNGY-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001267429097 939454067 /nfs/dbraw/zinc/45/40/67/939454067.db2.gz OIOLAUOVUGPPRM-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001267429097 939454068 /nfs/dbraw/zinc/45/40/68/939454068.db2.gz OIOLAUOVUGPPRM-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1noc(CCC[NH2+]CCN(C)C(=O)CN2CCCC2)n1 ZINC001267469323 939467479 /nfs/dbraw/zinc/46/74/79/939467479.db2.gz JGQKPYIBGJYEGH-UHFFFAOYSA-N 1 3 309.414 0.454 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481114450 939566385 /nfs/dbraw/zinc/56/63/85/939566385.db2.gz MNUZNYTVBLKJIM-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CCCCNC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481231367 939654987 /nfs/dbraw/zinc/65/49/87/939654987.db2.gz XOTUGKGORJTANO-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccnn1C ZINC001267971012 939716365 /nfs/dbraw/zinc/71/63/65/939716365.db2.gz XXPNFZAQBDVVDW-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001481295081 939725041 /nfs/dbraw/zinc/72/50/41/939725041.db2.gz NBSMBKYGYYHMJL-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO COC[C@H](C)N1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481652373 940014241 /nfs/dbraw/zinc/01/42/41/940014241.db2.gz STRNOEMBAVXHMF-ZDUSSCGKSA-N 1 3 313.442 0.180 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC2CN(C[C@H]3CCCCO3)C2)C1 ZINC001481655072 940015478 /nfs/dbraw/zinc/01/54/78/940015478.db2.gz QKTMLPUTMVPZCZ-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC2CN(C[C@H]3CCCCO3)C2)C1 ZINC001481655072 940015483 /nfs/dbraw/zinc/01/54/83/940015483.db2.gz QKTMLPUTMVPZCZ-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001268395738 940102298 /nfs/dbraw/zinc/10/22/98/940102298.db2.gz FFTSLOPGJGYVBJ-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001481812319 940148626 /nfs/dbraw/zinc/14/86/26/940148626.db2.gz KPQDGNXFRNZCLC-ZBFHGGJFSA-N 1 3 319.453 0.746 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001481929550 940186217 /nfs/dbraw/zinc/18/62/17/940186217.db2.gz BMPBCCGMIQHUCC-PXAZEXFGSA-N 1 3 324.469 0.480 20 0 DCADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCNC[C@H]1F ZINC001245973850 945303109 /nfs/dbraw/zinc/30/31/09/945303109.db2.gz LEEHGTQTVPVHIS-CBBWQLFWSA-N 1 3 317.355 0.485 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)N(C)C1CC1 ZINC001482144487 940283136 /nfs/dbraw/zinc/28/31/36/940283136.db2.gz SRRMYAUZZNSUFT-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO N[C@@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[C@@H]1F ZINC001246055147 945330723 /nfs/dbraw/zinc/33/07/23/945330723.db2.gz KYNNIYRGFPVJFI-IGQOVBAYSA-N 1 3 303.328 0.177 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CCCC1 ZINC001482220748 940713949 /nfs/dbraw/zinc/71/39/49/940713949.db2.gz JCFISBOGGGLIDT-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001482297912 940927261 /nfs/dbraw/zinc/92/72/61/940927261.db2.gz GXEKUFWRMHUHNK-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001270617746 940936942 /nfs/dbraw/zinc/93/69/42/940936942.db2.gz NGMLNTYKHXGWGA-JYJNAYRXSA-N 1 3 308.470 0.708 20 0 DCADHO COc1cc(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001482364981 941022620 /nfs/dbraw/zinc/02/26/20/941022620.db2.gz RDXUAIJMLFZFQM-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001482364981 941022624 /nfs/dbraw/zinc/02/26/24/941022624.db2.gz RDXUAIJMLFZFQM-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001424240242 941589032 /nfs/dbraw/zinc/58/90/32/941589032.db2.gz OYXXZZXJWJALGP-ZIAGYGMSSA-N 1 3 301.431 0.179 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001482734414 941641272 /nfs/dbraw/zinc/64/12/72/941641272.db2.gz JXHPHQLKCCXJTA-CVEARBPZSA-N 1 3 320.437 0.523 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001482734414 941641275 /nfs/dbraw/zinc/64/12/75/941641275.db2.gz JXHPHQLKCCXJTA-CVEARBPZSA-N 1 3 320.437 0.523 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001482761438 941658546 /nfs/dbraw/zinc/65/85/46/941658546.db2.gz DZNUORWLNXEIDL-HNNXBMFYSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCc1ccnn1C ZINC001482888443 941702217 /nfs/dbraw/zinc/70/22/17/941702217.db2.gz CUYMDUSPBHCYEK-LBPRGKRZSA-N 1 3 318.425 0.721 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001483007817 941773003 /nfs/dbraw/zinc/77/30/03/941773003.db2.gz DRLJXSSKGKUGIU-GADLPXAVSA-N 1 3 322.453 0.209 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001483007817 941773007 /nfs/dbraw/zinc/77/30/07/941773007.db2.gz DRLJXSSKGKUGIU-GADLPXAVSA-N 1 3 322.453 0.209 20 0 DCADHO COc1ccc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)nn1 ZINC001409295767 941879515 /nfs/dbraw/zinc/87/95/15/941879515.db2.gz INSQWZZKUYEJLR-UHFFFAOYSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@@H](NCc1cncn1C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409426882 941992575 /nfs/dbraw/zinc/99/25/75/941992575.db2.gz ZQEWJCRZFIOVDI-CHWSQXEVSA-N 1 3 307.442 0.745 20 0 DCADHO COc1nccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001483456188 942365765 /nfs/dbraw/zinc/36/57/65/942365765.db2.gz PABPEGYBMLIVRY-CQSZACIVSA-N 1 3 321.425 0.518 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C1CC1 ZINC001483592768 942447424 /nfs/dbraw/zinc/44/74/24/942447424.db2.gz PVLJZKCQSMEREL-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483592768 942447427 /nfs/dbraw/zinc/44/74/27/942447427.db2.gz PVLJZKCQSMEREL-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]([NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCCC1)C(N)=O ZINC001409788738 942561745 /nfs/dbraw/zinc/56/17/45/942561745.db2.gz ZTPSIXSBCCSDND-ZDUSSCGKSA-N 1 3 324.469 0.753 20 0 DCADHO CC[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001272436837 942755580 /nfs/dbraw/zinc/75/55/80/942755580.db2.gz BRRFUWJMXRDZMD-INIZCTEOSA-N 1 3 322.497 0.862 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC1=CCCCC1 ZINC001272568080 942830518 /nfs/dbraw/zinc/83/05/18/942830518.db2.gz VIMQNZROCOSJIX-CQSZACIVSA-N 1 3 306.410 0.828 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C ZINC001483958119 943046768 /nfs/dbraw/zinc/04/67/68/943046768.db2.gz FYPCCPCANUBIGV-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO O=S1(=O)CC[C@H]([NH2+]CC2CCN(C3CCOCC3)CC2)C1 ZINC001254325431 943088992 /nfs/dbraw/zinc/08/89/92/943088992.db2.gz VQDYESBIIVQPTC-AWEZNQCLSA-N 1 3 316.467 0.654 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)C(=O)N(C)C ZINC001493742880 943118918 /nfs/dbraw/zinc/11/89/18/943118918.db2.gz VLTZTBULFNKQFK-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CC[C@H](N2CCC(C)(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001484142571 943163924 /nfs/dbraw/zinc/16/39/24/943163924.db2.gz VXVCSXOVZPRZHF-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001484617678 943481059 /nfs/dbraw/zinc/48/10/59/943481059.db2.gz KISCBKDMIXACQZ-HZSPNIEDSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001413694720 943589375 /nfs/dbraw/zinc/58/93/75/943589375.db2.gz UWPGTIPWCCSZGH-MLGOLLRUSA-N 1 3 313.417 0.788 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001413694720 943589380 /nfs/dbraw/zinc/58/93/80/943589380.db2.gz UWPGTIPWCCSZGH-MLGOLLRUSA-N 1 3 313.417 0.788 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001491056278 943728055 /nfs/dbraw/zinc/72/80/55/943728055.db2.gz WORFDWHEKFAUKJ-BETUJISGSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485198629 943742508 /nfs/dbraw/zinc/74/25/08/943742508.db2.gz JNZMKTNPUFVQME-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485198623 943742958 /nfs/dbraw/zinc/74/29/58/943742958.db2.gz JNZMKTNPUFVQME-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485187115 943745197 /nfs/dbraw/zinc/74/51/97/943745197.db2.gz RHFUQVJERWFBAD-VXGBXAGGSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)(C(=O)N1CCCC[C@@H]1CNCC(N)=O)[NH+]1CCCCC1 ZINC001491247033 943870545 /nfs/dbraw/zinc/87/05/45/943870545.db2.gz JICUZZZCUBUUJB-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](NCc1cncn1C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485642947 944060347 /nfs/dbraw/zinc/06/03/47/944060347.db2.gz GJJJMBSFZGCGCZ-ZFWWWQNUSA-N 1 3 323.441 0.077 20 0 DCADHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210329821 944261688 /nfs/dbraw/zinc/26/16/88/944261688.db2.gz GXVMEOYIKOHEPO-GDBMZVCRSA-N 1 3 321.465 0.945 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)N[C@@H]2CCNC2=O)CC1 ZINC001485943483 944425082 /nfs/dbraw/zinc/42/50/82/944425082.db2.gz XDGZRYHBTQPYAS-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001276995718 944622180 /nfs/dbraw/zinc/62/21/80/944622180.db2.gz NJGMTDXTYIBCTI-KKUMJFAQSA-N 1 3 322.457 0.349 20 0 DCADHO C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CN(Cc2cn[nH]c2)C3)CC1 ZINC001277358135 944782655 /nfs/dbraw/zinc/78/26/55/944782655.db2.gz LEIHFULXMFMQFV-CZUORRHYSA-N 1 3 303.410 0.442 20 0 DCADHO CC(C)(C)[C@H](CNCC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001486423931 944871496 /nfs/dbraw/zinc/87/14/96/944871496.db2.gz KCVCKSBJEKOYEB-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CNC(=O)C(C)(C)N1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001277639976 944923083 /nfs/dbraw/zinc/92/30/83/944923083.db2.gz HFPRQIYJFHZARW-QGZVFWFLSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)C(C)(C)N1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001277639976 944923089 /nfs/dbraw/zinc/92/30/89/944923089.db2.gz HFPRQIYJFHZARW-QGZVFWFLSA-N 1 3 310.486 0.861 20 0 DCADHO CCN(CC)CC(=O)NCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001486597668 944986443 /nfs/dbraw/zinc/98/64/43/944986443.db2.gz MOIRTXQVXBYRNU-SLTAFYQDSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001486597668 944986450 /nfs/dbraw/zinc/98/64/50/944986450.db2.gz MOIRTXQVXBYRNU-SLTAFYQDSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001486597667 944986927 /nfs/dbraw/zinc/98/69/27/944986927.db2.gz MOIRTXQVXBYRNU-SHARSMKWSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001486597667 944986934 /nfs/dbraw/zinc/98/69/34/944986934.db2.gz MOIRTXQVXBYRNU-SHARSMKWSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCCN2CCC([NH3+])CC2)CN1 ZINC001246406305 945405025 /nfs/dbraw/zinc/40/50/25/945405025.db2.gz NZCGEHDVMYLMPS-KGLIPLIRSA-N 1 3 312.458 0.071 20 0 DCADHO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246447296 945412580 /nfs/dbraw/zinc/41/25/80/945412580.db2.gz VUXUHVXHAVNLTF-CYBMUJFWSA-N 1 3 324.421 0.993 20 0 DCADHO CCOC(=O)C1(C(=O)OCC)CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246447296 945412584 /nfs/dbraw/zinc/41/25/84/945412584.db2.gz VUXUHVXHAVNLTF-CYBMUJFWSA-N 1 3 324.421 0.993 20 0 DCADHO CC(=O)N1CC[C@H](N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001246520811 945424963 /nfs/dbraw/zinc/42/49/63/945424963.db2.gz UIAGOASRCSVWFM-GJZGRUSLSA-N 1 3 310.442 0.317 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001318780963 945444682 /nfs/dbraw/zinc/44/46/82/945444682.db2.gz MCGVJCHSXUMRSY-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CN1 ZINC001246681960 945460610 /nfs/dbraw/zinc/46/06/10/945460610.db2.gz AMWMOTZKFQNJRE-AEKWLRTRSA-N 1 3 323.437 0.123 20 0 DCADHO O=C([C@@H]1COC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21)N1CCCC1 ZINC001246704204 945465760 /nfs/dbraw/zinc/46/57/60/945465760.db2.gz LQVDWVGNMDWEJD-FVQBIDKESA-N 1 3 307.438 0.555 20 0 DCADHO O=C([C@@H]1COC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21)N1CCCC1 ZINC001246704204 945465766 /nfs/dbraw/zinc/46/57/66/945465766.db2.gz LQVDWVGNMDWEJD-FVQBIDKESA-N 1 3 307.438 0.555 20 0 DCADHO C[C@@H]1CC[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C[NH2+]1 ZINC001246706447 945466663 /nfs/dbraw/zinc/46/66/63/945466663.db2.gz KUAQWVBWLWHNOZ-CHWSQXEVSA-N 1 3 315.421 0.854 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)CCN1 ZINC001246722543 945472079 /nfs/dbraw/zinc/47/20/79/945472079.db2.gz QXROLQPBZOSVAZ-KEYYUXOJSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)CCN1 ZINC001246722543 945472083 /nfs/dbraw/zinc/47/20/83/945472083.db2.gz QXROLQPBZOSVAZ-KEYYUXOJSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1CC[C@H](N2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)C[NH2+]1 ZINC001246740833 945478928 /nfs/dbraw/zinc/47/89/28/945478928.db2.gz HODOGALEIALMAC-LJIZCISZSA-N 1 3 323.437 0.485 20 0 DCADHO C[C@@H]1C[C@@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)CC[NH2+]1 ZINC001246745977 945481805 /nfs/dbraw/zinc/48/18/05/945481805.db2.gz QHJDFTHJNLUKAL-HIFRSBDPSA-N 1 3 319.453 0.651 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]21)NC1CCC1 ZINC001246743830 945481926 /nfs/dbraw/zinc/48/19/26/945481926.db2.gz BFDCZEDOFFASJQ-SRABZTEZSA-N 1 3 321.465 0.992 20 0 DCADHO CCN1CC[C@]2(CCCN([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246758239 945484553 /nfs/dbraw/zinc/48/45/53/945484553.db2.gz SGOMOQNNQPYKBX-HOCLYGCPSA-N 1 3 306.454 0.415 20 0 DCADHO O=C1[C@H]2C[N@@H+](C3CCNCC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246855117 945503763 /nfs/dbraw/zinc/50/37/63/945503763.db2.gz SWVYOWYUVJXTPH-IYBDPMFKSA-N 1 3 313.401 0.855 20 0 DCADHO O=C1[C@H]2C[N@H+](C3CCNCC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001246855117 945503766 /nfs/dbraw/zinc/50/37/66/945503766.db2.gz SWVYOWYUVJXTPH-IYBDPMFKSA-N 1 3 313.401 0.855 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246874373 945510752 /nfs/dbraw/zinc/51/07/52/945510752.db2.gz SSZZLPBPRVZUOR-ZMSDIMECSA-N 1 3 324.469 0.025 20 0 DCADHO COc1cc(F)ccc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247849347 945576149 /nfs/dbraw/zinc/57/61/49/945576149.db2.gz BOPQKFKTDQQBGJ-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO C[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]C[C@@H]1O ZINC001247826599 945576534 /nfs/dbraw/zinc/57/65/34/945576534.db2.gz HLAOJCACIUYHKW-BBRMVZONSA-N 1 3 315.377 0.389 20 0 DCADHO c1cnn(-c2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cn2)c1 ZINC001247834854 945577430 /nfs/dbraw/zinc/57/74/30/945577430.db2.gz KRPBKASCCGJZFD-LBPRGKRZSA-N 1 3 323.360 0.594 20 0 DCADHO c1cc(-c2noc([C@H]3CCC4(C[NH2+]C4)O3)n2)nc2c1CNCC2 ZINC001247852611 945580119 /nfs/dbraw/zinc/58/01/19/945580119.db2.gz SFCZHIUGDFOQMR-CYBMUJFWSA-N 1 3 313.361 0.971 20 0 DCADHO OC1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]CC1 ZINC001247985782 945587117 /nfs/dbraw/zinc/58/71/17/945587117.db2.gz QXUCRHPZBYAJLR-UHFFFAOYSA-N 1 3 301.350 0.348 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC[C@H]2CCCO2)CCC1 ZINC001320236235 945780848 /nfs/dbraw/zinc/78/08/48/945780848.db2.gz XDKWEDCPAIXKGZ-UONOGXRCSA-N 1 3 313.442 0.107 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCn1cncn1 ZINC001320414694 945865407 /nfs/dbraw/zinc/86/54/07/945865407.db2.gz KFFNEUMGJYRTIT-HUUCEWRRSA-N 1 3 322.457 0.635 20 0 DCADHO C[NH+](C)CCC(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC001410171704 945985128 /nfs/dbraw/zinc/98/51/28/945985128.db2.gz QROFNMAZHLIWFP-UHFFFAOYSA-N 1 3 320.441 0.154 20 0 DCADHO COc1ccccc1OC[C@H](O)CNCCC[N@H+](C)CCO ZINC001252915719 946028421 /nfs/dbraw/zinc/02/84/21/946028421.db2.gz YAZPUOKOPNZQFK-CQSZACIVSA-N 1 3 312.410 0.339 20 0 DCADHO COc1ccccc1OC[C@H](O)CNCCC[N@@H+](C)CCO ZINC001252915719 946028436 /nfs/dbraw/zinc/02/84/36/946028436.db2.gz YAZPUOKOPNZQFK-CQSZACIVSA-N 1 3 312.410 0.339 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)COc1ccc(CCO)cc1 ZINC001253174146 946081473 /nfs/dbraw/zinc/08/14/73/946081473.db2.gz UOBUIGRXWGKQNP-HFTRVMKXSA-N 1 3 322.449 0.891 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](O)COc1ccc(CCO)cc1 ZINC001253174146 946081481 /nfs/dbraw/zinc/08/14/81/946081481.db2.gz UOBUIGRXWGKQNP-HFTRVMKXSA-N 1 3 322.449 0.891 20 0 DCADHO CN(CC(=O)N1CCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410249583 946092536 /nfs/dbraw/zinc/09/25/36/946092536.db2.gz ONKRGKLHGRAYHG-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC[NH+](CC)C[C@H](O)CNC1CCN(COC(C)=O)CC1 ZINC001253214793 946097661 /nfs/dbraw/zinc/09/76/61/946097661.db2.gz SFEBXAOXNBICLQ-OAHLLOKOSA-N 1 3 301.431 0.264 20 0 DCADHO OCC[NH+](CCO)CCCNC[C@H](O)c1ccc(F)c(F)c1 ZINC001253372595 946112464 /nfs/dbraw/zinc/11/24/64/946112464.db2.gz ZHDDBOGQVNMJJP-HNNXBMFYSA-N 1 3 318.364 0.265 20 0 DCADHO O=C(NC/C=C\CN[C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001321134444 946183458 /nfs/dbraw/zinc/18/34/58/946183458.db2.gz DIFLIJIAJTYDPN-DDGIKZQJSA-N 1 3 320.437 0.155 20 0 DCADHO OC[C@]1([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCOC1 ZINC001254055279 946227205 /nfs/dbraw/zinc/22/72/05/946227205.db2.gz LXDVEAMKXLLUQG-QGZVFWFLSA-N 1 3 320.433 0.755 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410371683 946264284 /nfs/dbraw/zinc/26/42/84/946264284.db2.gz NUDBDCHWEAWJBE-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001321336028 946282983 /nfs/dbraw/zinc/28/29/83/946282983.db2.gz IZALUEPKGNIWJQ-NVFZZLLCSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001321336028 946282993 /nfs/dbraw/zinc/28/29/93/946282993.db2.gz IZALUEPKGNIWJQ-NVFZZLLCSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001410446630 946390969 /nfs/dbraw/zinc/39/09/69/946390969.db2.gz XKGNYOLKTXALIU-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+][C@@H]1CCCN(C)CC1 ZINC001254508334 946404927 /nfs/dbraw/zinc/40/49/27/946404927.db2.gz QQNBSXCJQBDZIT-MJBXVCDLSA-N 1 3 311.426 0.613 20 0 DCADHO CC(C)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)C(=O)NCC(N)=O ZINC001255672398 946541409 /nfs/dbraw/zinc/54/14/09/946541409.db2.gz FVEJTZZWDPWDGN-DKUMPPAJSA-N 1 3 324.469 0.608 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001410622975 946664430 /nfs/dbraw/zinc/66/44/30/946664430.db2.gz QAXLFHKGQUGCGG-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1ccc(C[NH2+][C@H](CO)CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001410726503 946847959 /nfs/dbraw/zinc/84/79/59/946847959.db2.gz OHVPEGFHNRRFDV-WBVHZDCISA-N 1 3 319.449 0.904 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001410842714 947015123 /nfs/dbraw/zinc/01/51/23/947015123.db2.gz FWSXFDSDUAVCLU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)C[C@H]1C ZINC001410876481 947070671 /nfs/dbraw/zinc/07/06/71/947070671.db2.gz KUTOUMVLFJFHTB-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO COC(=O)[C@@H](C)CN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273415345 947233931 /nfs/dbraw/zinc/23/39/31/947233931.db2.gz NZWPBMCIEPTZIL-BBRMVZONSA-N 1 3 311.426 0.424 20 0 DCADHO NCc1cn(-c2cccc(C[NH2+]C3CCN(C=O)CC3)c2)nn1 ZINC001261903936 947480410 /nfs/dbraw/zinc/48/04/10/947480410.db2.gz OVQKMWVWYKRNMD-UHFFFAOYSA-N 1 3 314.393 0.436 20 0 DCADHO COCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001325152656 947682623 /nfs/dbraw/zinc/68/26/23/947682623.db2.gz BCDDXQZDRQKKRB-GDBMZVCRSA-N 1 3 315.458 0.162 20 0 DCADHO COCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001325152656 947682632 /nfs/dbraw/zinc/68/26/32/947682632.db2.gz BCDDXQZDRQKKRB-GDBMZVCRSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(=O)NC1CC1 ZINC001179486070 947850913 /nfs/dbraw/zinc/85/09/13/947850913.db2.gz GXIOUPAHCUACRN-DYEKYZERSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001273611186 947979784 /nfs/dbraw/zinc/97/97/84/947979784.db2.gz UVXQTERLUAWMTR-HNNXBMFYSA-N 1 3 322.453 0.664 20 0 DCADHO C[C@H](O)CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001273920411 948679086 /nfs/dbraw/zinc/67/90/86/948679086.db2.gz SKLLLXWQOIGZSN-XJKSGUPXSA-N 1 3 324.425 0.056 20 0 DCADHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)[C@H]1CCNC1=O ZINC001265121297 949332228 /nfs/dbraw/zinc/33/22/28/949332228.db2.gz OLLOBELEFACEBR-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)C1=O ZINC001488880289 949343493 /nfs/dbraw/zinc/34/34/93/949343493.db2.gz RFNMRUSOXOLFLJ-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001489043531 949422830 /nfs/dbraw/zinc/42/28/30/949422830.db2.gz IGFZRVOEXURKBK-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnn(CCOC)c2)CC1 ZINC001364553333 949543161 /nfs/dbraw/zinc/54/31/61/949543161.db2.gz AWZLHYCNVGMFHA-HNNXBMFYSA-N 1 3 309.458 0.645 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001489238250 949656494 /nfs/dbraw/zinc/65/64/94/949656494.db2.gz JCLWSQYIGHCQDE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001265508773 949738151 /nfs/dbraw/zinc/73/81/51/949738151.db2.gz LFINBKKFTVSLIN-JHJVBQTASA-N 1 3 319.396 0.988 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])NCCC1CC1 ZINC001330274729 950244252 /nfs/dbraw/zinc/24/42/52/950244252.db2.gz NKWZNFIILAUBPQ-CQSZACIVSA-N 1 3 309.458 0.843 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001266031738 950278339 /nfs/dbraw/zinc/27/83/39/950278339.db2.gz JRDDXBJRBLLDFX-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO C[C@H]1CCN(CC(=O)NCc2ccc(CC[NH2+]CCO)cc2)C1 ZINC001266086146 950341747 /nfs/dbraw/zinc/34/17/47/950341747.db2.gz HQZBYAOWCAJBLW-HNNXBMFYSA-N 1 3 319.449 0.769 20 0 DCADHO COCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001330404148 950357767 /nfs/dbraw/zinc/35/77/67/950357767.db2.gz MXKRUOLHXIWMQD-KBPBESRZSA-N 1 3 313.442 0.323 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@@H]1CCCNC1=O ZINC001266108696 950377014 /nfs/dbraw/zinc/37/70/14/950377014.db2.gz CKHKYIKVCCINDU-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@@H]1CCCNC1=O ZINC001266108696 950377023 /nfs/dbraw/zinc/37/70/23/950377023.db2.gz CKHKYIKVCCINDU-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001490341263 950598867 /nfs/dbraw/zinc/59/88/67/950598867.db2.gz LQZRSADASIXGMI-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCO[C@H](CNC/C=C\Cl)C2)CC1 ZINC001280629060 951003106 /nfs/dbraw/zinc/00/31/06/951003106.db2.gz KHFHEZQIWXDOBO-ACVFHECNSA-N 1 3 315.845 0.898 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001490742763 951070514 /nfs/dbraw/zinc/07/05/14/951070514.db2.gz TZJLEYZLUYEUSA-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC001331470704 951129803 /nfs/dbraw/zinc/12/98/03/951129803.db2.gz RPAXNVXCMDOUBP-ILXRZTDVSA-N 1 3 324.469 0.611 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCC(F)F)C1 ZINC001490815272 951293351 /nfs/dbraw/zinc/29/33/51/951293351.db2.gz STEBKZXQKZWTRK-RYUDHWBXSA-N 1 3 305.369 0.553 20 0 DCADHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001274124826 951431797 /nfs/dbraw/zinc/43/17/97/951431797.db2.gz JTTGBHFODWLCQB-XEVLESSRSA-N 1 3 324.469 0.505 20 0 DCADHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001274124823 951431969 /nfs/dbraw/zinc/43/19/69/951431969.db2.gz JTTGBHFODWLCQB-JBZXTQMFSA-N 1 3 324.469 0.505 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001365819871 951581991 /nfs/dbraw/zinc/58/19/91/951581991.db2.gz LINBWTPAOWOFAZ-VNQPRFMTSA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001365849129 951612756 /nfs/dbraw/zinc/61/27/56/951612756.db2.gz KYFYZXJFUARLBV-HDJSIYSDSA-N 1 3 324.469 0.432 20 0 DCADHO CN1CCN(C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001332486994 951663268 /nfs/dbraw/zinc/66/32/68/951663268.db2.gz FCXUTALBDWFREG-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC001275169124 951980334 /nfs/dbraw/zinc/98/03/34/951980334.db2.gz QSTPAUUHPZDEEG-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC001275169124 951980336 /nfs/dbraw/zinc/98/03/36/951980336.db2.gz QSTPAUUHPZDEEG-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC001333397365 952040194 /nfs/dbraw/zinc/04/01/94/952040194.db2.gz JBKDAMBQPICGCC-KRWDZBQOSA-N 1 3 322.453 0.189 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC001333397366 952040421 /nfs/dbraw/zinc/04/04/21/952040421.db2.gz JBKDAMBQPICGCC-QGZVFWFLSA-N 1 3 322.453 0.189 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CCC[C@H](C)O)C1 ZINC001275310404 952055844 /nfs/dbraw/zinc/05/58/44/952055844.db2.gz JEJXONXULNOCQX-XGNXJENSSA-N 1 3 308.426 0.906 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](N2CC=CC2)C1 ZINC001334246932 952269987 /nfs/dbraw/zinc/26/99/87/952269987.db2.gz LBWUOWPEXADFMP-CHWSQXEVSA-N 1 3 314.380 0.887 20 0 DCADHO COCCOC[C@H](O)CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001336036194 952635134 /nfs/dbraw/zinc/63/51/34/952635134.db2.gz MEQRFWXAUOPMLE-KURKYZTESA-N 1 3 322.449 0.945 20 0 DCADHO COCCOC[C@H](O)CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001336036194 952635138 /nfs/dbraw/zinc/63/51/38/952635138.db2.gz MEQRFWXAUOPMLE-KURKYZTESA-N 1 3 322.449 0.945 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001412268341 952727573 /nfs/dbraw/zinc/72/75/73/952727573.db2.gz MYOVQZDEZHPSIG-ILXRZTDVSA-N 1 3 324.469 0.685 20 0 DCADHO CN1CCN(C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001412471237 952827127 /nfs/dbraw/zinc/82/71/27/952827127.db2.gz SZFNWOLGUCWZKD-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CCN(C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001412471237 952827131 /nfs/dbraw/zinc/82/71/31/952827131.db2.gz SZFNWOLGUCWZKD-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CCCCC1 ZINC001337296273 952838840 /nfs/dbraw/zinc/83/88/40/952838840.db2.gz FOCWCSHORFYHSN-KKUMJFAQSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001412529557 952870979 /nfs/dbraw/zinc/87/09/79/952870979.db2.gz BNFVEOPDHYIFQZ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001412529557 952870986 /nfs/dbraw/zinc/87/09/86/952870986.db2.gz BNFVEOPDHYIFQZ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001412529577 952871404 /nfs/dbraw/zinc/87/14/04/952871404.db2.gz BNFVEOPDHYIFQZ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001412529577 952871407 /nfs/dbraw/zinc/87/14/07/952871407.db2.gz BNFVEOPDHYIFQZ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC(N[C@@H]2CCOC2)C1 ZINC001412692921 953001869 /nfs/dbraw/zinc/00/18/69/953001869.db2.gz JSISSOKNQZIRER-CJNGLKHVSA-N 1 3 307.438 0.983 20 0 DCADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC(N[C@@H]2CCOC2)C1 ZINC001412692921 953001875 /nfs/dbraw/zinc/00/18/75/953001875.db2.gz JSISSOKNQZIRER-CJNGLKHVSA-N 1 3 307.438 0.983 20 0 DCADHO O=C(CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)NC1CC1 ZINC001490856688 953125844 /nfs/dbraw/zinc/12/58/44/953125844.db2.gz JNSJGGJPAHNCPH-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NCCC[NH2+]C3CC3)ccc2NC1=O ZINC001341280169 953221054 /nfs/dbraw/zinc/22/10/54/953221054.db2.gz KCGKSSPUOCDIDG-AWEZNQCLSA-N 1 3 316.405 0.771 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCn2cccn2)C1)N(C)C ZINC001282014471 953445980 /nfs/dbraw/zinc/44/59/80/953445980.db2.gz YHFIMCXZPGZJBJ-YMAMQOFZSA-N 1 3 307.442 0.708 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+][C@H]1CCCNC1=O)C1CC1)C1CCC1 ZINC001366033190 953603107 /nfs/dbraw/zinc/60/31/07/953603107.db2.gz GTEKCOAZLVYYIX-LSDHHAIUSA-N 1 3 322.453 0.234 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001345189883 953610007 /nfs/dbraw/zinc/61/00/07/953610007.db2.gz HWUDTKPIRCPRPR-UHFFFAOYSA-N 1 3 318.421 0.316 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001366101145 953685957 /nfs/dbraw/zinc/68/59/57/953685957.db2.gz GBGLEMSXSYPOHR-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001366216870 953839487 /nfs/dbraw/zinc/83/94/87/953839487.db2.gz DYNOYUUVHBROSC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366216870 953839497 /nfs/dbraw/zinc/83/94/97/953839497.db2.gz DYNOYUUVHBROSC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NCC(=O)N(C)C)CC1 ZINC001366350582 954075505 /nfs/dbraw/zinc/07/55/05/954075505.db2.gz ACZFIFCJDLHFCO-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001366354677 954084156 /nfs/dbraw/zinc/08/41/56/954084156.db2.gz QZELHATZZCNFRT-IUODEOHRSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@H](CCC[NH2+][C@@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001283184419 954110184 /nfs/dbraw/zinc/11/01/84/954110184.db2.gz BABGLQWKRAYCBI-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001366376548 954121364 /nfs/dbraw/zinc/12/13/64/954121364.db2.gz DDVQOFSPBHIYCA-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)CC)C1)N(C)C ZINC001366382260 954130061 /nfs/dbraw/zinc/13/00/61/954130061.db2.gz ZCFUJEOYHHCYMT-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001366444153 954202559 /nfs/dbraw/zinc/20/25/59/954202559.db2.gz OUQTXXBLRHBWKC-ZNMIVQPWSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001366444153 954202574 /nfs/dbraw/zinc/20/25/74/954202574.db2.gz OUQTXXBLRHBWKC-ZNMIVQPWSA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)[C@H](C(=O)NCCCNC(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001283309146 954241991 /nfs/dbraw/zinc/24/19/91/954241991.db2.gz OKWSPDOAVGNGSF-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001366513394 954306841 /nfs/dbraw/zinc/30/68/41/954306841.db2.gz RAVFZXRTNNCOPS-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCn1cncn1 ZINC001366515371 954310116 /nfs/dbraw/zinc/31/01/16/954310116.db2.gz XTDZQEFDZYAQFX-GJZGRUSLSA-N 1 3 322.457 0.637 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[C@@H](O)COC ZINC001366628002 954545921 /nfs/dbraw/zinc/54/59/21/954545921.db2.gz QOPLJOPKPGZDFY-SOUVJXGZSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[C@@H](O)COC ZINC001366628002 954545932 /nfs/dbraw/zinc/54/59/32/954545932.db2.gz QOPLJOPKPGZDFY-SOUVJXGZSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001349243299 954670516 /nfs/dbraw/zinc/67/05/16/954670516.db2.gz JTLMOCXIJVCPAZ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001349243299 954670519 /nfs/dbraw/zinc/67/05/19/954670519.db2.gz JTLMOCXIJVCPAZ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)NC1CC1 ZINC001366777370 954830106 /nfs/dbraw/zinc/83/01/06/954830106.db2.gz NRIKWDASJHZMLG-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001366812084 954872806 /nfs/dbraw/zinc/87/28/06/954872806.db2.gz IHDCVPZSBYTOOP-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1cncc1C[N@@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001366853951 954938900 /nfs/dbraw/zinc/93/89/00/954938900.db2.gz NJGOLCKHNUVKKL-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1cncc1C[N@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001366853951 954938910 /nfs/dbraw/zinc/93/89/10/954938910.db2.gz NJGOLCKHNUVKKL-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)C1 ZINC001446951837 1013133505 /nfs/dbraw/zinc/13/35/05/1013133505.db2.gz GTTCKNIYBHXLJY-RBSFLKMASA-N 1 3 324.469 0.326 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001367130186 955366269 /nfs/dbraw/zinc/36/62/69/955366269.db2.gz FMRWWAGMZSYLQQ-HUUCEWRRSA-N 1 3 322.453 0.710 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001367130170 955367553 /nfs/dbraw/zinc/36/75/53/955367553.db2.gz FMRWWAGMZSYLQQ-GJZGRUSLSA-N 1 3 322.453 0.710 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cnnn2C)CCCC1)N(C)C ZINC001367160322 955413645 /nfs/dbraw/zinc/41/36/45/955413645.db2.gz PEHYNGKLMXVBBL-CQSZACIVSA-N 1 3 322.457 0.674 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001367219620 955472028 /nfs/dbraw/zinc/47/20/28/955472028.db2.gz DUMOIYZEVPIUQT-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001480117088 955511697 /nfs/dbraw/zinc/51/16/97/955511697.db2.gz CZSXQFYECMBHLL-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001367243129 955515979 /nfs/dbraw/zinc/51/59/79/955515979.db2.gz MWZGXEOPJBVBLF-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NC3CC3)CCCC2)C1 ZINC001367326519 955648992 /nfs/dbraw/zinc/64/89/92/955648992.db2.gz GAPHCVLSWWDKEF-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NC3CC3)CCCC2)C1 ZINC001367326519 955648998 /nfs/dbraw/zinc/64/89/98/955648998.db2.gz GAPHCVLSWWDKEF-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1cnn(C)c1 ZINC001480516855 956098350 /nfs/dbraw/zinc/09/83/50/956098350.db2.gz ZJNILEFQJXTHRA-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO CS(=O)(=O)N1CCC(C[N@@H+]2CCCC[C@H](CN)C2)CC1 ZINC000821933472 956279834 /nfs/dbraw/zinc/27/98/34/956279834.db2.gz MDILUXTZKYGQRN-CQSZACIVSA-N 1 3 303.472 0.719 20 0 DCADHO CS(=O)(=O)N1CCC(C[N@H+]2CCCC[C@H](CN)C2)CC1 ZINC000821933472 956279845 /nfs/dbraw/zinc/27/98/45/956279845.db2.gz MDILUXTZKYGQRN-CQSZACIVSA-N 1 3 303.472 0.719 20 0 DCADHO CS(=O)(=O)N1CCC(CN2CCCC[C@H](C[NH3+])C2)CC1 ZINC000821933472 956279853 /nfs/dbraw/zinc/27/98/53/956279853.db2.gz MDILUXTZKYGQRN-CQSZACIVSA-N 1 3 303.472 0.719 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNC(=O)[C@H]2CCCN2C)C1 ZINC001357993871 957412514 /nfs/dbraw/zinc/41/25/14/957412514.db2.gz MPDAVKDTYVPNPQ-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNC(=O)[C@H]2CCCN2C)C1 ZINC001357993871 957412518 /nfs/dbraw/zinc/41/25/18/957412518.db2.gz MPDAVKDTYVPNPQ-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)N(C)CC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001294131111 957485080 /nfs/dbraw/zinc/48/50/80/957485080.db2.gz HNVNRWXFDHXCLC-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001294131111 957485082 /nfs/dbraw/zinc/48/50/82/957485082.db2.gz HNVNRWXFDHXCLC-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001367390188 957757774 /nfs/dbraw/zinc/75/77/74/957757774.db2.gz KDHNNDDICSAWFX-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367390554 957758724 /nfs/dbraw/zinc/75/87/24/957758724.db2.gz ZNBGJPYOJZZBBI-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CCC1)N(C)C(=O)CN1CCCC1 ZINC001367404279 957775392 /nfs/dbraw/zinc/77/53/92/957775392.db2.gz KNLGATHHWWGNSU-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCN(C)C1=O)C(C)C ZINC001367495436 957897425 /nfs/dbraw/zinc/89/74/25/957897425.db2.gz SZQAJMZSNCCRJS-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCN(C)C(=O)C1CC[NH+](C)CC1)CCn1cccn1 ZINC001367533574 957981047 /nfs/dbraw/zinc/98/10/47/957981047.db2.gz ISRTZCYZICYGHU-UHFFFAOYSA-N 1 3 307.442 0.615 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367653004 958276556 /nfs/dbraw/zinc/27/65/56/958276556.db2.gz FYPIPTREZQOUFO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001367653004 958276570 /nfs/dbraw/zinc/27/65/70/958276570.db2.gz FYPIPTREZQOUFO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1ccnc(-n2cccc2)c1 ZINC001367674389 958331479 /nfs/dbraw/zinc/33/14/79/958331479.db2.gz CCCDKYLFNYDJSV-NEPJUHHUSA-N 1 3 315.377 0.454 20 0 DCADHO COc1cc(C(=O)N[C@H](C)C[NH2+]Cc2cnn(C)c2)sn1 ZINC001367674578 958332748 /nfs/dbraw/zinc/33/27/48/958332748.db2.gz HOPPIOAKFNYGMX-SECBINFHSA-N 1 3 309.395 0.793 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367695193 958390993 /nfs/dbraw/zinc/39/09/93/958390993.db2.gz UOCSIMDVLVKBMN-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NCc1ccnn1C ZINC001491625755 958960125 /nfs/dbraw/zinc/96/01/25/958960125.db2.gz QELBBEFRIAGIDV-ZDUSSCGKSA-N 1 3 323.441 0.125 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001376854740 958989386 /nfs/dbraw/zinc/98/93/86/958989386.db2.gz XGDUQGPFNMLBSV-INIZCTEOSA-N 1 3 320.437 0.740 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001376854740 958989394 /nfs/dbraw/zinc/98/93/94/958989394.db2.gz XGDUQGPFNMLBSV-INIZCTEOSA-N 1 3 320.437 0.740 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001376902722 959104228 /nfs/dbraw/zinc/10/42/28/959104228.db2.gz VJFXVBIIETVEJR-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001491828232 959276661 /nfs/dbraw/zinc/27/66/61/959276661.db2.gz LUVIYQNABWBDMZ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001491850626 959302347 /nfs/dbraw/zinc/30/23/47/959302347.db2.gz VRGHMWVLOODOJN-CVEARBPZSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001491850628 959302377 /nfs/dbraw/zinc/30/23/77/959302377.db2.gz VRGHMWVLOODOJN-HZPDHXFCSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001377037137 959366187 /nfs/dbraw/zinc/36/61/87/959366187.db2.gz BPLKMOPCJAYVDV-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]C[C@@H](C)OC)CCOCC1)N(C)C ZINC001368231376 959472893 /nfs/dbraw/zinc/47/28/93/959472893.db2.gz PPYHYQJUTZKIGB-ZIAGYGMSSA-N 1 3 315.458 0.617 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001492085391 959619439 /nfs/dbraw/zinc/61/94/39/959619439.db2.gz SEXNGJBZAXUYOX-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001377264887 959823648 /nfs/dbraw/zinc/82/36/48/959823648.db2.gz ANTUOYAWTDMPQV-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001368521021 959975243 /nfs/dbraw/zinc/97/52/43/959975243.db2.gz JCMDWSZTFPYNCG-IGQOVBAYSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001368606118 960079979 /nfs/dbraw/zinc/07/99/79/960079979.db2.gz KZPKPMWFNDWSHH-NZBPQXDJSA-N 1 3 324.469 0.478 20 0 DCADHO CO[C@H](C)C[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001368634424 960108111 /nfs/dbraw/zinc/10/81/11/960108111.db2.gz ZZFHPMHYYSSJBY-ZBFHGGJFSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1)C(N)=O ZINC001368644937 960115376 /nfs/dbraw/zinc/11/53/76/960115376.db2.gz VVIYBWJBXJFDTP-BFHYXJOUSA-N 1 3 312.458 0.465 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001368657079 960130751 /nfs/dbraw/zinc/13/07/51/960130751.db2.gz XSIYJSJKJHGJCQ-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1nccn1C ZINC001368743825 960219433 /nfs/dbraw/zinc/21/94/33/960219433.db2.gz OZDROJDSYCSGEZ-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1nccn1C ZINC001368743825 960219439 /nfs/dbraw/zinc/21/94/39/960219439.db2.gz OZDROJDSYCSGEZ-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@H+](CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H](C)C(N)=O ZINC001377583695 960315861 /nfs/dbraw/zinc/31/58/61/960315861.db2.gz MBYOIPIURHBRTA-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO CC[N@@H+](CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H](C)C(N)=O ZINC001377583695 960315871 /nfs/dbraw/zinc/31/58/71/960315871.db2.gz MBYOIPIURHBRTA-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001377586434 960321595 /nfs/dbraw/zinc/32/15/95/960321595.db2.gz IIHDXOSQEHFFOQ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC1CCCC1 ZINC001377591347 960327810 /nfs/dbraw/zinc/32/78/10/960327810.db2.gz RJDVPUQCLKKBDN-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H](CC)C(N)=O ZINC001377606699 960349774 /nfs/dbraw/zinc/34/97/74/960349774.db2.gz DVRQXHUDVXCMCT-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO Cc1nc([C@H](C)N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001377707193 960472732 /nfs/dbraw/zinc/47/27/32/960472732.db2.gz LPPAWYJCUGIMPL-GXTWGEPZSA-N 1 3 322.457 0.954 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001377718903 960498279 /nfs/dbraw/zinc/49/82/79/960498279.db2.gz PGCGOCCINAPHEV-NFOMZHRRSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)NC(C)(C)C ZINC001378294078 960518270 /nfs/dbraw/zinc/51/82/70/960518270.db2.gz FHDPOVVMPWDPFZ-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001377734941 960527445 /nfs/dbraw/zinc/52/74/45/960527445.db2.gz XKJAFNBFHYFIFR-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001377767381 960608269 /nfs/dbraw/zinc/60/82/69/960608269.db2.gz LWHDWSFNRHSXHY-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H]([NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001378426418 960741936 /nfs/dbraw/zinc/74/19/36/960741936.db2.gz LBJUOPWYVXYVCC-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001377919572 960973373 /nfs/dbraw/zinc/97/33/73/960973373.db2.gz XGRLNWVLKISWRG-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@H]1CCN(C)C1=O ZINC001378582497 961074463 /nfs/dbraw/zinc/07/44/63/961074463.db2.gz AGZHTKSBVLSTDE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1)C1CCC1 ZINC001377973209 961098460 /nfs/dbraw/zinc/09/84/60/961098460.db2.gz BIYIGRPXUAJBPC-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001378607259 961114062 /nfs/dbraw/zinc/11/40/62/961114062.db2.gz AKKIMUUPHKRUEY-UKRRQHHQSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N1CCCCCC1 ZINC001378735013 961364556 /nfs/dbraw/zinc/36/45/56/961364556.db2.gz QURDEQDPBXIVGV-FPCVCCKLSA-N 1 3 309.454 0.537 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N1CCCCCC1 ZINC001378735013 961364578 /nfs/dbraw/zinc/36/45/78/961364578.db2.gz QURDEQDPBXIVGV-FPCVCCKLSA-N 1 3 309.454 0.537 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378793676 961486255 /nfs/dbraw/zinc/48/62/55/961486255.db2.gz TZSZUIPKXPAJBE-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001378853193 961605788 /nfs/dbraw/zinc/60/57/88/961605788.db2.gz OLUQFFLIRLUDQN-KKUMJFAQSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001378859632 961620152 /nfs/dbraw/zinc/62/01/52/961620152.db2.gz RWJQENFOARDBLP-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001378931564 961724866 /nfs/dbraw/zinc/72/48/66/961724866.db2.gz ZMNFUUBAHWMYNG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001378930951 961725565 /nfs/dbraw/zinc/72/55/65/961725565.db2.gz XZNIWVOWYOSBMX-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1)N(C)C ZINC001379803449 962058675 /nfs/dbraw/zinc/05/86/75/962058675.db2.gz OCRLTSAJOMWLOD-HZPDHXFCSA-N 1 3 307.438 0.936 20 0 DCADHO Cc1cncc(CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001379847150 962131745 /nfs/dbraw/zinc/13/17/45/962131745.db2.gz YJSOHLHNYBRTLQ-HNNXBMFYSA-N 1 3 308.426 0.251 20 0 DCADHO CN(C[C@@H](O)CNCc1ccns1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379854540 962151174 /nfs/dbraw/zinc/15/11/74/962151174.db2.gz AILALZKJIOKIGD-RYUDHWBXSA-N 1 3 312.439 0.004 20 0 DCADHO CN(C[C@@H](O)CNCc1ccns1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379854540 962151184 /nfs/dbraw/zinc/15/11/84/962151184.db2.gz AILALZKJIOKIGD-RYUDHWBXSA-N 1 3 312.439 0.004 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001379941372 962348171 /nfs/dbraw/zinc/34/81/71/962348171.db2.gz UTCAWVFGNNYNEZ-OLZOCXBDSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001379941372 962348190 /nfs/dbraw/zinc/34/81/90/962348190.db2.gz UTCAWVFGNNYNEZ-OLZOCXBDSA-N 1 3 306.414 0.049 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@@H]1CCCNC1=O ZINC001379317460 962612507 /nfs/dbraw/zinc/61/25/07/962612507.db2.gz DQQQGLZMVCPXJM-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001379321193 962621072 /nfs/dbraw/zinc/62/10/72/962621072.db2.gz HXLPJANUKJOXIH-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCC[C@H](NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)C(N)=O ZINC001380159395 962794976 /nfs/dbraw/zinc/79/49/76/962794976.db2.gz WFJVNZVTEUILBG-ZDUSSCGKSA-N 1 3 322.453 0.365 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](CC(N)=O)CC2CC2)CC1 ZINC001380177082 962832462 /nfs/dbraw/zinc/83/24/62/962832462.db2.gz IFYQYIPGVVEULO-HNNXBMFYSA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](CC(N)=O)CC2CC2)CC1 ZINC001380177082 962832480 /nfs/dbraw/zinc/83/24/80/962832480.db2.gz IFYQYIPGVVEULO-HNNXBMFYSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001380287591 962995794 /nfs/dbraw/zinc/99/57/94/962995794.db2.gz BEGLNICQMCRXMO-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001380312692 963028227 /nfs/dbraw/zinc/02/82/27/963028227.db2.gz FKOOHFRVUKZJGT-BNOWGMLFSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001380312692 963028238 /nfs/dbraw/zinc/02/82/38/963028238.db2.gz FKOOHFRVUKZJGT-BNOWGMLFSA-N 1 3 310.442 0.077 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCc2ccc(F)cc2)C1 ZINC001379505388 963083224 /nfs/dbraw/zinc/08/32/24/963083224.db2.gz NUDAMUOJXJDOKJ-ZBFHGGJFSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCc2ccc(F)cc2)C1 ZINC001379505388 963083229 /nfs/dbraw/zinc/08/32/29/963083229.db2.gz NUDAMUOJXJDOKJ-ZBFHGGJFSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(F)cc2)C1 ZINC001379530406 963137274 /nfs/dbraw/zinc/13/72/74/963137274.db2.gz SZZHTWGZZYOMDM-DZGCQCFKSA-N 1 3 309.385 0.344 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(F)cc2)C1 ZINC001379530406 963137289 /nfs/dbraw/zinc/13/72/89/963137289.db2.gz SZZHTWGZZYOMDM-DZGCQCFKSA-N 1 3 309.385 0.344 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001379581964 963213508 /nfs/dbraw/zinc/21/35/08/963213508.db2.gz HXFXHYAZCGFMED-UONOGXRCSA-N 1 3 322.453 0.186 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001379591737 963230714 /nfs/dbraw/zinc/23/07/14/963230714.db2.gz VVGWVTNJJDNLKU-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001379595679 963239778 /nfs/dbraw/zinc/23/97/78/963239778.db2.gz JFRIZERSSUOCKS-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc(CN[C@H]2C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001379607320 963261239 /nfs/dbraw/zinc/26/12/39/963261239.db2.gz VEYPHRDZHDLCGQ-YPMHNXCESA-N 1 3 308.430 0.534 20 0 DCADHO C[C@@H](O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCOCC1 ZINC001380499052 963262697 /nfs/dbraw/zinc/26/26/97/963262697.db2.gz CTYMSZMRJCIIDD-CYBMUJFWSA-N 1 3 313.442 0.107 20 0 DCADHO CCC[NH2+]C1CCN(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001380719632 963520686 /nfs/dbraw/zinc/52/06/86/963520686.db2.gz MUFIATVUNFWDBN-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001380900042 963668226 /nfs/dbraw/zinc/66/82/26/963668226.db2.gz XYECOPRFWCFVSE-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001380908609 963676178 /nfs/dbraw/zinc/67/61/78/963676178.db2.gz AAZJTFWQBVWERP-INIZCTEOSA-N 1 3 320.437 0.739 20 0 DCADHO Cn1nccc1CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001380920004 963681480 /nfs/dbraw/zinc/68/14/80/963681480.db2.gz UASHZORVGYOLPN-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CCN(CC)CC(=O)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001430424778 1013456511 /nfs/dbraw/zinc/45/65/11/1013456511.db2.gz NIKSVPFQTQHWNT-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001381342748 963985867 /nfs/dbraw/zinc/98/58/67/963985867.db2.gz RIGWPENNCJGFBU-HSBZDZAISA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001447543334 1013466728 /nfs/dbraw/zinc/46/67/28/1013466728.db2.gz PQWVKLMLDXOFDZ-HZSPNIEDSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001447571778 1013471624 /nfs/dbraw/zinc/47/16/24/1013471624.db2.gz TWRIDKBUZLWEEA-UONOGXRCSA-N 1 3 308.430 0.055 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(=O)NC2CC2)C2CC2)C1 ZINC001375257209 964180265 /nfs/dbraw/zinc/18/02/65/964180265.db2.gz XXNNJEZJSZHIIR-IUODEOHRSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccc(C(N)=O)cc1 ZINC001368977206 964226708 /nfs/dbraw/zinc/22/67/08/964226708.db2.gz YWUQKSLUOLAGFE-ZDUSSCGKSA-N 1 3 320.437 0.674 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001369187229 964502743 /nfs/dbraw/zinc/50/27/43/964502743.db2.gz RHAOOTHPXHKZKK-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001369187229 964502749 /nfs/dbraw/zinc/50/27/49/964502749.db2.gz RHAOOTHPXHKZKK-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001375519165 964502814 /nfs/dbraw/zinc/50/28/14/964502814.db2.gz PKKSOORJUNKLKO-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@H](NC2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1=O ZINC001375528896 964514132 /nfs/dbraw/zinc/51/41/32/964514132.db2.gz FHMAJSWTMWPYQM-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001369252366 964601030 /nfs/dbraw/zinc/60/10/30/964601030.db2.gz PHVUHFOJVMBEDH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001369252366 964601036 /nfs/dbraw/zinc/60/10/36/964601036.db2.gz PHVUHFOJVMBEDH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001369252353 964602254 /nfs/dbraw/zinc/60/22/54/964602254.db2.gz PHVUHFOJVMBEDH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001369252353 964602264 /nfs/dbraw/zinc/60/22/64/964602264.db2.gz PHVUHFOJVMBEDH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(N)=O ZINC001373810618 964662389 /nfs/dbraw/zinc/66/23/89/964662389.db2.gz CTDRNNAASNUGPB-CQSZACIVSA-N 1 3 310.442 0.078 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001373897032 964762855 /nfs/dbraw/zinc/76/28/55/964762855.db2.gz JCUSUKOVUPTTFM-QGZVFWFLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001373919495 964782117 /nfs/dbraw/zinc/78/21/17/964782117.db2.gz BAFDUXGKAMBBAE-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001375748902 964788745 /nfs/dbraw/zinc/78/87/45/964788745.db2.gz VYWGIOZHSQLLEZ-NEPJUHHUSA-N 1 3 307.398 0.010 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001375768583 964816536 /nfs/dbraw/zinc/81/65/36/964816536.db2.gz URMSILKRLDYZRC-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001369395174 964890623 /nfs/dbraw/zinc/89/06/23/964890623.db2.gz RQUXWYZKVXNTED-KGLIPLIRSA-N 1 3 322.453 0.186 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(CNCc3cnns3)C2)C1 ZINC001375896354 964964856 /nfs/dbraw/zinc/96/48/56/964964856.db2.gz PEASHBALDHZYKX-DOMZBBRYSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(CNCc3cnns3)C2)C1 ZINC001375896354 964964864 /nfs/dbraw/zinc/96/48/64/964964864.db2.gz PEASHBALDHZYKX-DOMZBBRYSA-N 1 3 323.466 0.818 20 0 DCADHO CC[C@H]([NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C)C(N)=O ZINC001369453209 965001663 /nfs/dbraw/zinc/00/16/63/965001663.db2.gz FEHFPVAODWDBHR-STQMWFEESA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374095953 965008793 /nfs/dbraw/zinc/00/87/93/965008793.db2.gz JHSSFDPNLNABCB-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374095953 965008803 /nfs/dbraw/zinc/00/88/03/965008803.db2.gz JHSSFDPNLNABCB-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO Cc1ncc(CNC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001374099068 965011746 /nfs/dbraw/zinc/01/17/46/965011746.db2.gz QEORMVQDUKPFBM-LBPRGKRZSA-N 1 3 306.410 0.921 20 0 DCADHO Cc1cc(CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)sn1 ZINC001369481710 965051410 /nfs/dbraw/zinc/05/14/10/965051410.db2.gz HCVLXEZIRDFMMH-GFCCVEGCSA-N 1 3 314.455 0.312 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374221478 965149496 /nfs/dbraw/zinc/14/94/96/965149496.db2.gz FLNBLOBQSWTUFY-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374221478 965149506 /nfs/dbraw/zinc/14/95/06/965149506.db2.gz FLNBLOBQSWTUFY-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C)C(N)=O ZINC001369562622 965175641 /nfs/dbraw/zinc/17/56/41/965175641.db2.gz JXZCYYYFRYXJBM-WCQYABFASA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001374271829 965208394 /nfs/dbraw/zinc/20/83/94/965208394.db2.gz QAUJEKQJHMYMFH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374281133 965220715 /nfs/dbraw/zinc/22/07/15/965220715.db2.gz NIRUSGARQJWVJU-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374281133 965220726 /nfs/dbraw/zinc/22/07/26/965220726.db2.gz NIRUSGARQJWVJU-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374284245 965225963 /nfs/dbraw/zinc/22/59/63/965225963.db2.gz TZNJPMOETCZYQC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374284245 965225970 /nfs/dbraw/zinc/22/59/70/965225970.db2.gz TZNJPMOETCZYQC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1NCc1nncn1C ZINC001374387292 965333310 /nfs/dbraw/zinc/33/33/10/965333310.db2.gz SAZJGJMHVNBDDK-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)[C@H](C)C1 ZINC001374388857 965333399 /nfs/dbraw/zinc/33/33/99/965333399.db2.gz WVJIDGLCQSHKLV-HUUCEWRRSA-N 1 3 322.457 0.445 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001374554528 965526174 /nfs/dbraw/zinc/52/61/74/965526174.db2.gz HKKPUNWVICFJTN-OAHLLOKOSA-N 1 3 320.437 0.227 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001374554528 965526182 /nfs/dbraw/zinc/52/61/82/965526182.db2.gz HKKPUNWVICFJTN-OAHLLOKOSA-N 1 3 320.437 0.227 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001376330001 965529935 /nfs/dbraw/zinc/52/99/35/965529935.db2.gz KLDUECCTOJYRQC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001376330001 965529943 /nfs/dbraw/zinc/52/99/43/965529943.db2.gz KLDUECCTOJYRQC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC001376394985 965608143 /nfs/dbraw/zinc/60/81/43/965608143.db2.gz DSNJGEGTJOQQPT-KKUMJFAQSA-N 1 3 322.457 0.472 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001376404880 965616952 /nfs/dbraw/zinc/61/69/52/965616952.db2.gz QIXIFOHCWGWKSS-JOCQHMNTSA-N 1 3 308.430 0.377 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001376404880 965616965 /nfs/dbraw/zinc/61/69/65/965616965.db2.gz QIXIFOHCWGWKSS-JOCQHMNTSA-N 1 3 308.430 0.377 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)C1 ZINC001376403038 965618130 /nfs/dbraw/zinc/61/81/30/965618130.db2.gz RLIVPMSRIQXQTN-JKQORVJESA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@H](F)CNC[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001374658682 965717420 /nfs/dbraw/zinc/71/74/20/965717420.db2.gz CQXIFBNBVQBJHY-LSDHHAIUSA-N 1 3 317.449 0.922 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001376481957 965718521 /nfs/dbraw/zinc/71/85/21/965718521.db2.gz ZUXVNICHXANLSW-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001374672198 965737330 /nfs/dbraw/zinc/73/73/30/965737330.db2.gz NYQPEGYXCSIZGA-BETUJISGSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cncc(C)c1)N(C)C ZINC001374671910 965737622 /nfs/dbraw/zinc/73/76/22/965737622.db2.gz QYSNQLHMCGLMPK-GJZGRUSLSA-N 1 3 308.426 0.297 20 0 DCADHO C[C@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001374690669 965765519 /nfs/dbraw/zinc/76/55/19/965765519.db2.gz CDZCHJJIMUBXPN-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001374807296 965955487 /nfs/dbraw/zinc/95/54/87/965955487.db2.gz RUAJFQQDUXSWJM-CZXHOFHRSA-N 1 3 322.457 0.999 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001374807296 965955499 /nfs/dbraw/zinc/95/54/99/965955499.db2.gz RUAJFQQDUXSWJM-CZXHOFHRSA-N 1 3 322.457 0.999 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1cncn1C ZINC001447872118 1013613596 /nfs/dbraw/zinc/61/35/96/1013613596.db2.gz RXHTXUOAQQBSQG-STQMWFEESA-N 1 3 307.442 0.887 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374832514 966000377 /nfs/dbraw/zinc/00/03/77/966000377.db2.gz AUHIMEXWRACXNR-OCCSQVGLSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374832514 966000385 /nfs/dbraw/zinc/00/03/85/966000385.db2.gz AUHIMEXWRACXNR-OCCSQVGLSA-N 1 3 307.442 0.665 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001376729320 966077123 /nfs/dbraw/zinc/07/71/23/966077123.db2.gz FOUJIRHKYHKBQB-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001376729320 966077135 /nfs/dbraw/zinc/07/71/35/966077135.db2.gz FOUJIRHKYHKBQB-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001376734757 966088654 /nfs/dbraw/zinc/08/86/54/966088654.db2.gz WHKVWXBLTQKNJP-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NCC2CC2)CC[N@H+]1C ZINC001376734757 966088667 /nfs/dbraw/zinc/08/86/67/966088667.db2.gz WHKVWXBLTQKNJP-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)C1)N(C)C ZINC001370527994 966216709 /nfs/dbraw/zinc/21/67/09/966216709.db2.gz ZTHRWQMHAIYKSN-AVGNSLFASA-N 1 3 312.458 0.478 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001370550711 966236051 /nfs/dbraw/zinc/23/60/51/966236051.db2.gz ZPKJEYNITBPHPD-PYJNHQTQSA-N 1 3 310.442 0.231 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447905016 1013639054 /nfs/dbraw/zinc/63/90/54/1013639054.db2.gz GOANFCYSOZUJRC-STQMWFEESA-N 1 3 312.458 0.336 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001370636304 966309731 /nfs/dbraw/zinc/30/97/31/966309731.db2.gz LRNCUDJYIGOXRV-BETUJISGSA-N 1 3 310.442 0.234 20 0 DCADHO CCn1nnc(C)c1CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001381424065 966402623 /nfs/dbraw/zinc/40/26/23/966402623.db2.gz UOAPGPCHUDJBAH-VXGBXAGGSA-N 1 3 310.446 0.541 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001370960462 966621091 /nfs/dbraw/zinc/62/10/91/966621091.db2.gz JNQSIGMLLKYPNY-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001370960462 966621098 /nfs/dbraw/zinc/62/10/98/966621098.db2.gz JNQSIGMLLKYPNY-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001371239899 966837873 /nfs/dbraw/zinc/83/78/73/966837873.db2.gz FMIGMFVSSGHVBC-BXUZGUMPSA-N 1 3 310.446 0.329 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001371389891 966956391 /nfs/dbraw/zinc/95/63/91/966956391.db2.gz VLOLICBHMGGCFS-LBPRGKRZSA-N 1 3 306.410 0.202 20 0 DCADHO COc1cc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001382155668 966989047 /nfs/dbraw/zinc/98/90/47/966989047.db2.gz BIGDKIUYMUDNHJ-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001382155668 966989051 /nfs/dbraw/zinc/98/90/51/966989051.db2.gz BIGDKIUYMUDNHJ-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)NC1CC1 ZINC001371474804 967023049 /nfs/dbraw/zinc/02/30/49/967023049.db2.gz OBWPTYAKUOVQJN-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001371618254 967177065 /nfs/dbraw/zinc/17/70/65/967177065.db2.gz NQOBWDMZBDUVAW-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001371626273 967183851 /nfs/dbraw/zinc/18/38/51/967183851.db2.gz CUFMCLUESVGVNQ-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)[C@H]1C ZINC001382302813 967186950 /nfs/dbraw/zinc/18/69/50/967186950.db2.gz KTGNWXKXWFCHGJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001382303382 967188484 /nfs/dbraw/zinc/18/84/84/967188484.db2.gz LMWKRQVYFSZESP-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001382303335 967188653 /nfs/dbraw/zinc/18/86/53/967188653.db2.gz WDCYGMCAHRIJCQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccnn2C)C[C@H]1C ZINC001382304210 967190461 /nfs/dbraw/zinc/19/04/61/967190461.db2.gz APTHOTCQPOIOOS-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccnn2C)C[C@H]1C ZINC001382304210 967190468 /nfs/dbraw/zinc/19/04/68/967190468.db2.gz APTHOTCQPOIOOS-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001371660400 967212005 /nfs/dbraw/zinc/21/20/05/967212005.db2.gz QGOKJJCRTFKFLZ-KBPBESRZSA-N 1 3 322.457 0.672 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NCC2CCC2)CN1C(=O)CC[NH+](C)C ZINC001382320951 967215419 /nfs/dbraw/zinc/21/54/19/967215419.db2.gz WHKOBFHQJJEVMT-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001371979837 967512835 /nfs/dbraw/zinc/51/28/35/967512835.db2.gz LVEFQLPBKXWXPZ-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@H]2CCc3ncnn32)CCC1 ZINC001372001888 967537382 /nfs/dbraw/zinc/53/73/82/967537382.db2.gz ZENZLRBVDHFGIF-CYBMUJFWSA-N 1 3 320.441 0.298 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@H]2CCc3ncnn32)CCC1 ZINC001372001888 967537389 /nfs/dbraw/zinc/53/73/89/967537389.db2.gz ZENZLRBVDHFGIF-CYBMUJFWSA-N 1 3 320.441 0.298 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001372043399 967594223 /nfs/dbraw/zinc/59/42/23/967594223.db2.gz MIMDUGKDPAHBNN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001372043399 967594226 /nfs/dbraw/zinc/59/42/26/967594226.db2.gz MIMDUGKDPAHBNN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383008762 967851873 /nfs/dbraw/zinc/85/18/73/967851873.db2.gz JKCGEHXEOHDMAH-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383008762 967851877 /nfs/dbraw/zinc/85/18/77/967851877.db2.gz JKCGEHXEOHDMAH-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)NC(C)(C)C ZINC001372994036 968608700 /nfs/dbraw/zinc/60/87/00/968608700.db2.gz TUPYYWBNYPVPDJ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373234233 968835122 /nfs/dbraw/zinc/83/51/22/968835122.db2.gz IRCQGWPAFCDZCV-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO CCn1ccc(CNC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001448510777 1013937452 /nfs/dbraw/zinc/93/74/52/1013937452.db2.gz NYRNBBNWYHDUDU-CTYIDZIISA-N 1 3 307.442 0.839 20 0 DCADHO Cn1cc([C@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@H]2[NH3+])cn1 ZINC001549051083 1014124508 /nfs/dbraw/zinc/12/45/08/1014124508.db2.gz SGBIHPDVNSLODP-HZPDHXFCSA-N 1 3 311.389 0.590 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1[N@@H+]([C@@H]1CCNC1=O)CC2 ZINC001449009160 1014131036 /nfs/dbraw/zinc/13/10/36/1014131036.db2.gz GJLWSHBJXXZYJV-CPUCHLNUSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC001449009160 1014131038 /nfs/dbraw/zinc/13/10/38/1014131038.db2.gz GJLWSHBJXXZYJV-CPUCHLNUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1 ZINC001549134134 1014145748 /nfs/dbraw/zinc/14/57/48/1014145748.db2.gz NORCLAABQNGGQI-NVXWUHKLSA-N 1 3 308.470 0.601 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001549134136 1014145108 /nfs/dbraw/zinc/14/51/08/1014145108.db2.gz NORCLAABQNGGQI-WBVHZDCISA-N 1 3 308.470 0.601 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001522641381 1014267857 /nfs/dbraw/zinc/26/78/57/1014267857.db2.gz SXXTWRLDGXKXRQ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001522641381 1014267872 /nfs/dbraw/zinc/26/78/72/1014267872.db2.gz SXXTWRLDGXKXRQ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1c([C@@H]2CN(CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C(N)=O)cnn1C ZINC001549530337 1014298241 /nfs/dbraw/zinc/29/82/41/1014298241.db2.gz VVZXMTWAXZAVBB-CWRNSKLLSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2CN(CC[C@@H]3CCC[N@H+]3C)C[C@H]2C(N)=O)cnn1C ZINC001549530337 1014298248 /nfs/dbraw/zinc/29/82/48/1014298248.db2.gz VVZXMTWAXZAVBB-CWRNSKLLSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2C[N@H+](CC[C@@H]3CCCN3C)C[C@H]2C(N)=O)cnn1C ZINC001549530337 1014298255 /nfs/dbraw/zinc/29/82/55/1014298255.db2.gz VVZXMTWAXZAVBB-CWRNSKLLSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2C[N@@H+](CC[C@@H]3CCCN3C)C[C@H]2C(N)=O)cnn1C ZINC001549530337 1014298260 /nfs/dbraw/zinc/29/82/60/1014298260.db2.gz VVZXMTWAXZAVBB-CWRNSKLLSA-N 1 3 319.453 0.714 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001523015635 1014518159 /nfs/dbraw/zinc/51/81/59/1014518159.db2.gz NHVPVYXFHKWFFA-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001523052547 1014535025 /nfs/dbraw/zinc/53/50/25/1014535025.db2.gz DLWQKWDFHSHXLE-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO [NH3+][C@H]1CCO[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001550070019 1014548933 /nfs/dbraw/zinc/54/89/33/1014548933.db2.gz MWMLZLJFNWMFMC-HOTGVXAUSA-N 1 3 318.421 0.526 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202007 1014625174 /nfs/dbraw/zinc/62/51/74/1014625174.db2.gz LWQFHMCHUJKLDR-CYBMUJFWSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550239666 1014637632 /nfs/dbraw/zinc/63/76/32/1014637632.db2.gz OQGUHVZDFQGJDQ-HOCLYGCPSA-N 1 3 310.442 0.078 20 0 DCADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001550287554 1014653136 /nfs/dbraw/zinc/65/31/36/1014653136.db2.gz KCAIZLXLWSZEBM-AQBKWJQSSA-N 1 3 322.453 0.679 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001530453417 1014757261 /nfs/dbraw/zinc/75/72/61/1014757261.db2.gz JOVXKMFTEXPBCU-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001530453417 1014757272 /nfs/dbraw/zinc/75/72/72/1014757272.db2.gz JOVXKMFTEXPBCU-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+]1C[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@H]2C1 ZINC001551201309 1014991450 /nfs/dbraw/zinc/99/14/50/1014991450.db2.gz OGRXEKUEKAACBH-FMKPAKJESA-N 1 3 322.453 0.443 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001525044801 1015095217 /nfs/dbraw/zinc/09/52/17/1015095217.db2.gz DPOXNZSIBOKXRE-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001525044801 1015095230 /nfs/dbraw/zinc/09/52/30/1015095230.db2.gz DPOXNZSIBOKXRE-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001384064474 985330879 /nfs/dbraw/zinc/33/08/79/985330879.db2.gz FUTOTTBVRJNQRY-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@H]3[C@H]1CCCN3CCO)C2 ZINC001551572607 1015143683 /nfs/dbraw/zinc/14/36/83/1015143683.db2.gz ZVBKXMAKWSXONH-ARFQPEPTSA-N 1 3 308.426 0.107 20 0 DCADHO CN1CCN(CCNC(=O)NC2CC3(C[C@H]3[NH3+])C2)CC1(C)C ZINC001551580309 1015146082 /nfs/dbraw/zinc/14/60/82/1015146082.db2.gz KLENFHSAGQCAQD-MFOWVQHXSA-N 1 3 309.458 0.191 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001385151998 986126664 /nfs/dbraw/zinc/12/66/64/986126664.db2.gz RNLPPVIAMZRTOB-TUVASFSCSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001385151998 986126670 /nfs/dbraw/zinc/12/66/70/986126670.db2.gz RNLPPVIAMZRTOB-TUVASFSCSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385215309 986161800 /nfs/dbraw/zinc/16/18/00/986161800.db2.gz VXYNRDJEFCNJKG-HIFRSBDPSA-N 1 3 312.458 0.241 20 0 DCADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001385236606 986174480 /nfs/dbraw/zinc/17/44/80/986174480.db2.gz CLHRMBDTPMJQOR-QPSCCSFWSA-N 1 3 322.453 0.280 20 0 DCADHO CCN(CC)CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001385363682 986294295 /nfs/dbraw/zinc/29/42/95/986294295.db2.gz GWYWEEFMGDJPFB-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001385363682 986294304 /nfs/dbraw/zinc/29/43/04/986294304.db2.gz GWYWEEFMGDJPFB-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385393936 986317999 /nfs/dbraw/zinc/31/79/99/986317999.db2.gz XTVQFWYPBVGMDR-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385393936 986318005 /nfs/dbraw/zinc/31/80/05/986318005.db2.gz XTVQFWYPBVGMDR-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001385735905 986558534 /nfs/dbraw/zinc/55/85/34/986558534.db2.gz MILUKFVCSKESMO-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001385943817 986700834 /nfs/dbraw/zinc/70/08/34/986700834.db2.gz UESMIOJWXRORAB-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)C1 ZINC001552099329 1015267792 /nfs/dbraw/zinc/26/77/92/1015267792.db2.gz ZHEZLTQNODHOKS-ZNMIVQPWSA-N 1 3 320.441 0.341 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001386311539 987061239 /nfs/dbraw/zinc/06/12/39/987061239.db2.gz FGGHPLLGLPMPHK-MELADBBJSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001386311539 987061248 /nfs/dbraw/zinc/06/12/48/987061248.db2.gz FGGHPLLGLPMPHK-MELADBBJSA-N 1 3 310.442 0.042 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552166693 1015300320 /nfs/dbraw/zinc/30/03/20/1015300320.db2.gz KNNKCSLNJLZYJP-ZDUSSCGKSA-N 1 3 304.398 0.169 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)CCC[NH+](C)C ZINC001386852002 987452328 /nfs/dbraw/zinc/45/23/28/987452328.db2.gz KTRZJESSWRIOKZ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001386860812 987459398 /nfs/dbraw/zinc/45/93/98/987459398.db2.gz NXRLGKQNNBHRIK-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001386860810 987459846 /nfs/dbraw/zinc/45/98/46/987459846.db2.gz NXRLGKQNNBHRIK-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001387025318 987569643 /nfs/dbraw/zinc/56/96/43/987569643.db2.gz BWUNJCYNZBTWNO-UONOGXRCSA-N 1 3 314.474 0.487 20 0 DCADHO CCCN(C)CC(=O)NCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001387512055 987879129 /nfs/dbraw/zinc/87/91/29/987879129.db2.gz IQNHVUXQWUOMSS-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001387512055 987879136 /nfs/dbraw/zinc/87/91/36/987879136.db2.gz IQNHVUXQWUOMSS-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)NCCN(C)C(=O)CC[NH+](C)C)CC(C)(C)C ZINC001388114442 988057062 /nfs/dbraw/zinc/05/70/62/988057062.db2.gz YIKPXGUUQPSVRI-UHFFFAOYSA-N 1 3 314.474 0.491 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001387924447 988289571 /nfs/dbraw/zinc/28/95/71/988289571.db2.gz DPKXQJKKAKTYNB-HNNXBMFYSA-N 1 3 312.458 0.099 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552352969 1015403638 /nfs/dbraw/zinc/40/36/38/1015403638.db2.gz XYGWDIWUZCGCKQ-GJZGRUSLSA-N 1 3 309.458 0.160 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001527273253 1015440364 /nfs/dbraw/zinc/44/03/64/1015440364.db2.gz XJEUZXUPZDJYMQ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001389268162 989053238 /nfs/dbraw/zinc/05/32/38/989053238.db2.gz NPAPZMYTWROLJY-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001389268162 989053248 /nfs/dbraw/zinc/05/32/48/989053248.db2.gz NPAPZMYTWROLJY-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001389413554 989218743 /nfs/dbraw/zinc/21/87/43/989218743.db2.gz HTBOLLVQVYKZCG-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001389413554 989218748 /nfs/dbraw/zinc/21/87/48/989218748.db2.gz HTBOLLVQVYKZCG-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001389508804 989344619 /nfs/dbraw/zinc/34/46/19/989344619.db2.gz LZWSTSKWTRTHAI-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001389508804 989344630 /nfs/dbraw/zinc/34/46/30/989344630.db2.gz LZWSTSKWTRTHAI-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001389699217 989499133 /nfs/dbraw/zinc/49/91/33/989499133.db2.gz XZLLJHXKDJDZBI-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CN(Cc1n[nH]c([C@@H]2C[C@@H](F)CN2)n1)C(=O)[C@H]1CCCC[NH2+]C1 ZINC001552679218 1015488353 /nfs/dbraw/zinc/48/83/53/1015488353.db2.gz DTJGUNHHHBMHMX-TUAOUCFPSA-N 1 3 324.404 0.525 20 0 DCADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)nn1 ZINC001389996271 989737611 /nfs/dbraw/zinc/73/76/11/989737611.db2.gz YWMRYUVPADDGDJ-OKILXGFUSA-N 1 3 321.425 0.564 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001390004086 989741134 /nfs/dbraw/zinc/74/11/34/989741134.db2.gz SKRGNNBZCQDDGE-MJBXVCDLSA-N 1 3 310.442 0.232 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001390123796 989845743 /nfs/dbraw/zinc/84/57/43/989845743.db2.gz MSCDUSSPQSVNHN-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCc1cncn1C ZINC001390531917 990179586 /nfs/dbraw/zinc/17/95/86/990179586.db2.gz FUZJULPWVYUJJF-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001390569868 990207036 /nfs/dbraw/zinc/20/70/36/990207036.db2.gz BQTPRNDUFUQJFB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001390569868 990207042 /nfs/dbraw/zinc/20/70/42/990207042.db2.gz BQTPRNDUFUQJFB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001390591610 990226563 /nfs/dbraw/zinc/22/65/63/990226563.db2.gz PJKDQZSCQMQTKC-ZFWWWQNUSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001391121730 990604214 /nfs/dbraw/zinc/60/42/14/990604214.db2.gz YIGFJPYZVPZIPI-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001391121730 990604217 /nfs/dbraw/zinc/60/42/17/990604217.db2.gz YIGFJPYZVPZIPI-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CCC[NH+]1CCCCC1 ZINC001391215948 990677054 /nfs/dbraw/zinc/67/70/54/990677054.db2.gz BKWFBGGOCAVZLC-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001391340895 990760289 /nfs/dbraw/zinc/76/02/89/990760289.db2.gz QCEORLHZJCGRMO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001391340895 990760294 /nfs/dbraw/zinc/76/02/94/990760294.db2.gz QCEORLHZJCGRMO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NCC2CC2)C1 ZINC001391861015 991232579 /nfs/dbraw/zinc/23/25/79/991232579.db2.gz KKGHEOPQCHFVQK-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NCC2CC2)C1 ZINC001391861015 991232589 /nfs/dbraw/zinc/23/25/89/991232589.db2.gz KKGHEOPQCHFVQK-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001391920967 991292309 /nfs/dbraw/zinc/29/23/09/991292309.db2.gz NPFDLQYUMZAKGP-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC2(CN(CCn3cccn3)C2)CC1 ZINC001392028507 991410186 /nfs/dbraw/zinc/41/01/86/991410186.db2.gz YGMIPDVYQHWIIJ-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001392076371 991468317 /nfs/dbraw/zinc/46/83/17/991468317.db2.gz OWBMQAOFFKOHBD-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001392394143 991865805 /nfs/dbraw/zinc/86/58/05/991865805.db2.gz OQEOXVGTUFIICS-OAHLLOKOSA-N 1 3 320.437 0.299 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392488636 991996500 /nfs/dbraw/zinc/99/65/00/991996500.db2.gz HPDMBCQKLUZFFN-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392488636 991996510 /nfs/dbraw/zinc/99/65/10/991996510.db2.gz HPDMBCQKLUZFFN-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001392512953 992028091 /nfs/dbraw/zinc/02/80/91/992028091.db2.gz QUKARRZHWFFTFK-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](C[N@H+](C)CCc1cnn(C)c1)NC(=O)CN(C)C1CCC1 ZINC001392661015 992228477 /nfs/dbraw/zinc/22/84/77/992228477.db2.gz NNEULOMQJWCWRV-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](C[N@@H+](C)CCc1cnn(C)c1)NC(=O)CN(C)C1CCC1 ZINC001392661015 992228486 /nfs/dbraw/zinc/22/84/86/992228486.db2.gz NNEULOMQJWCWRV-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)CC1 ZINC001392789297 992398761 /nfs/dbraw/zinc/39/87/61/992398761.db2.gz PSPDPRUMUUUACF-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N1CC[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001392790398 992401349 /nfs/dbraw/zinc/40/13/49/992401349.db2.gz XPFAXAOQLDVEQX-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001392793063 992403073 /nfs/dbraw/zinc/40/30/73/992403073.db2.gz NCAGROTYBFXFBA-CABCVRRESA-N 1 3 307.442 0.745 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@]2(CCN([C@H]3CCCNC3=O)C2)C1 ZINC001392990729 992607265 /nfs/dbraw/zinc/60/72/65/992607265.db2.gz GSYOVSUTGAGBDE-YOEHRIQHSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001393141453 992714223 /nfs/dbraw/zinc/71/42/23/992714223.db2.gz HSVHOUHTGNKEGD-YOEHRIQHSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001393158862 992722467 /nfs/dbraw/zinc/72/24/67/992722467.db2.gz HYRMGXRQNXUNHS-CJNGLKHVSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001393474077 993020563 /nfs/dbraw/zinc/02/05/63/993020563.db2.gz QDUGLOCBYFOFSQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001393563689 993087207 /nfs/dbraw/zinc/08/72/07/993087207.db2.gz XPNDRIRUBVGCKT-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001393563689 993087213 /nfs/dbraw/zinc/08/72/13/993087213.db2.gz XPNDRIRUBVGCKT-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001393694956 993183779 /nfs/dbraw/zinc/18/37/79/993183779.db2.gz VFKZAOLGCZXEMO-PBHICJAKSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001393807866 993269212 /nfs/dbraw/zinc/26/92/12/993269212.db2.gz JNOPZLYUDOHSHM-MELADBBJSA-N 1 3 322.457 0.590 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001394091729 993469688 /nfs/dbraw/zinc/46/96/88/993469688.db2.gz NQNKYRZKEUZBQX-OAHLLOKOSA-N 1 3 312.458 0.194 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1 ZINC001394343892 993636587 /nfs/dbraw/zinc/63/65/87/993636587.db2.gz DWKWKIIUMWJUSR-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1 ZINC001394343892 993636591 /nfs/dbraw/zinc/63/65/91/993636591.db2.gz DWKWKIIUMWJUSR-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001394393207 993676088 /nfs/dbraw/zinc/67/60/88/993676088.db2.gz ROVXYANGBCRQEZ-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CN(CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001399715172 993696658 /nfs/dbraw/zinc/69/66/58/993696658.db2.gz HATDJXMASWZWIR-CYBMUJFWSA-N 1 3 321.425 0.211 20 0 DCADHO CN(CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001399715172 993696665 /nfs/dbraw/zinc/69/66/65/993696665.db2.gz HATDJXMASWZWIR-CYBMUJFWSA-N 1 3 321.425 0.211 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001394527528 993798434 /nfs/dbraw/zinc/79/84/34/993798434.db2.gz JYWIBIXAJNCDBT-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001394536372 993807523 /nfs/dbraw/zinc/80/75/23/993807523.db2.gz IATRKKZGXSXQRT-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001394536372 993807529 /nfs/dbraw/zinc/80/75/29/993807529.db2.gz IATRKKZGXSXQRT-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394705172 994039463 /nfs/dbraw/zinc/03/94/63/994039463.db2.gz ODYDGWSETCMMFI-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001394716813 994049076 /nfs/dbraw/zinc/04/90/76/994049076.db2.gz PZPSDJTYBYPXDX-STQMWFEESA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001400078200 994136285 /nfs/dbraw/zinc/13/62/85/994136285.db2.gz FGXPSLHDJZOFMS-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001400487211 994575695 /nfs/dbraw/zinc/57/56/95/994575695.db2.gz TXWFQZGRJRIAOO-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1nccc1CNC[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401016607 995116582 /nfs/dbraw/zinc/11/65/82/995116582.db2.gz BPMYQVKYGQASSZ-GUYCJALGSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CNC[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401016607 995116591 /nfs/dbraw/zinc/11/65/91/995116591.db2.gz BPMYQVKYGQASSZ-GUYCJALGSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nncc1CNC[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401016645 995118105 /nfs/dbraw/zinc/11/81/05/995118105.db2.gz BVXLQGLIOQQBMA-WBMJQRKESA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401016645 995118113 /nfs/dbraw/zinc/11/81/13/995118113.db2.gz BVXLQGLIOQQBMA-WBMJQRKESA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001401048259 995134153 /nfs/dbraw/zinc/13/41/53/995134153.db2.gz OTPMMUUZDBVNOO-UMVBOHGHSA-N 1 3 324.469 0.752 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001401085985 995161604 /nfs/dbraw/zinc/16/16/04/995161604.db2.gz JXGKPQAGTXVZAQ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001401085985 995161616 /nfs/dbraw/zinc/16/16/16/995161616.db2.gz JXGKPQAGTXVZAQ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001401087286 995164325 /nfs/dbraw/zinc/16/43/25/995164325.db2.gz VQWMQWHALSOOEE-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001396367505 995344245 /nfs/dbraw/zinc/34/42/45/995344245.db2.gz KUNQLTJOEXHARY-RRFJBIMHSA-N 1 3 324.469 0.338 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001507074816 1015957295 /nfs/dbraw/zinc/95/72/95/1015957295.db2.gz WVVXZBXIPSDURA-SMDDNHRTSA-N 1 3 320.441 0.391 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001396919511 995683190 /nfs/dbraw/zinc/68/31/90/995683190.db2.gz QUXCJUYRMAQKSU-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001396931034 995689552 /nfs/dbraw/zinc/68/95/52/995689552.db2.gz MPJNYCSHORMPDF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001396931034 995689557 /nfs/dbraw/zinc/68/95/57/995689557.db2.gz MPJNYCSHORMPDF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)C1CCC1 ZINC001397120571 995805318 /nfs/dbraw/zinc/80/53/18/995805318.db2.gz HWHZGFSIBTVNPN-SHTZXODSSA-N 1 3 319.453 0.852 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397137819 995818887 /nfs/dbraw/zinc/81/88/87/995818887.db2.gz UMUSEVILTKJOAQ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397137819 995818888 /nfs/dbraw/zinc/81/88/88/995818888.db2.gz UMUSEVILTKJOAQ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001397668746 996123442 /nfs/dbraw/zinc/12/34/42/996123442.db2.gz VVDUUMWHHXYXTM-RBSFLKMASA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001397829220 996195015 /nfs/dbraw/zinc/19/50/15/996195015.db2.gz IRJMFYZGDXNVKI-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001398038344 996327519 /nfs/dbraw/zinc/32/75/19/996327519.db2.gz GAEIJEBVRHCIKQ-UONOGXRCSA-N 1 3 314.474 0.487 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+]([C@@H](CC)C(N)=O)CC2 ZINC001398368253 996489629 /nfs/dbraw/zinc/48/96/29/996489629.db2.gz WHXWZHUGNVOSBV-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001398527811 996554193 /nfs/dbraw/zinc/55/41/93/996554193.db2.gz PLEJOPODRIZOST-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001398527225 996554866 /nfs/dbraw/zinc/55/48/66/996554866.db2.gz LWROEVPRMKOKTO-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001398534257 996557997 /nfs/dbraw/zinc/55/79/97/996557997.db2.gz REPVCZUYSRORBT-HNNXBMFYSA-N 1 3 319.453 0.987 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001398555254 996569734 /nfs/dbraw/zinc/56/97/34/996569734.db2.gz MQIBXJJPYCRACU-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001398565087 996576322 /nfs/dbraw/zinc/57/63/22/996576322.db2.gz OTEBDCBDFJJGMX-ZQDZILKHSA-N 1 3 324.469 0.621 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001398756115 996674653 /nfs/dbraw/zinc/67/46/53/996674653.db2.gz FTVANUXKQAESEF-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)n[nH]1 ZINC001398764001 996677823 /nfs/dbraw/zinc/67/78/23/996677823.db2.gz PWMFXKVXLJXVHO-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001398773565 996682404 /nfs/dbraw/zinc/68/24/04/996682404.db2.gz RPEKDTYKEVCEKI-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2cncn2C)CC[N@@H+]1C ZINC001398925470 996753673 /nfs/dbraw/zinc/75/36/73/996753673.db2.gz QXJORBSRLBJSFX-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2cncn2C)CC[N@H+]1C ZINC001398925470 996753679 /nfs/dbraw/zinc/75/36/79/996753679.db2.gz QXJORBSRLBJSFX-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001398931531 996757184 /nfs/dbraw/zinc/75/71/84/996757184.db2.gz XIJRXFPONZIJOS-OCCSQVGLSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001398931531 996757188 /nfs/dbraw/zinc/75/71/88/996757188.db2.gz XIJRXFPONZIJOS-OCCSQVGLSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001399011193 996826110 /nfs/dbraw/zinc/82/61/10/996826110.db2.gz ASBRIDAPJSZHLW-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001404319832 996975387 /nfs/dbraw/zinc/97/53/87/996975387.db2.gz AEMNFBRNJJLFAF-STQMWFEESA-N 1 3 324.469 0.561 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399378602 997287996 /nfs/dbraw/zinc/28/79/96/997287996.db2.gz UUKWIYLICADPKN-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399378602 997288008 /nfs/dbraw/zinc/28/80/08/997288008.db2.gz UUKWIYLICADPKN-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001399407089 997323548 /nfs/dbraw/zinc/32/35/48/997323548.db2.gz ZEAJFWGKALHUEO-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001404883660 997559404 /nfs/dbraw/zinc/55/94/04/997559404.db2.gz UYTKZARFENHFRB-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC(C)C ZINC001405249421 998009275 /nfs/dbraw/zinc/00/92/75/998009275.db2.gz ITLRDNPPFGHLNG-GJZGRUSLSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]CC(=O)N2CCC2)CCCC1)N(C)C ZINC001405389800 998182961 /nfs/dbraw/zinc/18/29/61/998182961.db2.gz PAIUZSDUTMWMKM-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001507260460 1016192325 /nfs/dbraw/zinc/19/23/25/1016192325.db2.gz LJKSTNRJJRNTQQ-IAGOWNOFSA-N 1 3 319.449 0.767 20 0 DCADHO CCc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001507260460 1016192330 /nfs/dbraw/zinc/19/23/30/1016192330.db2.gz LJKSTNRJJRNTQQ-IAGOWNOFSA-N 1 3 319.449 0.767 20 0 DCADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](CCCOC)CC1)N(C)C ZINC001505388535 1016205510 /nfs/dbraw/zinc/20/55/10/1016205510.db2.gz PQLLHVGXILWJIR-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C[C@@H]1C ZINC001507327272 1016254917 /nfs/dbraw/zinc/25/49/17/1016254917.db2.gz IRYNYZAVDKRZOM-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCN1CCCC1=O ZINC001505625630 1016367074 /nfs/dbraw/zinc/36/70/74/1016367074.db2.gz MFELKRBRXYLGRF-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C[C@H]2CCc3ncnn32)C1 ZINC001418496280 1000283281 /nfs/dbraw/zinc/28/32/81/1000283281.db2.gz RFSOPPJSNRRPDQ-ZIAGYGMSSA-N 1 3 320.441 0.155 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C[C@H]2CCc3ncnn32)C1 ZINC001418496280 1000283282 /nfs/dbraw/zinc/28/32/82/1000283282.db2.gz RFSOPPJSNRRPDQ-ZIAGYGMSSA-N 1 3 320.441 0.155 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCc1cnn(C)c1 ZINC001418513523 1000302952 /nfs/dbraw/zinc/30/29/52/1000302952.db2.gz YIIYUWJLYKJEDX-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCc1cnn(C)c1 ZINC001418513523 1000302955 /nfs/dbraw/zinc/30/29/55/1000302955.db2.gz YIIYUWJLYKJEDX-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001401250687 1000307652 /nfs/dbraw/zinc/30/76/52/1000307652.db2.gz GEWGRLCVYLFWRD-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001401350638 1000366296 /nfs/dbraw/zinc/36/62/96/1000366296.db2.gz FBRKCHPFOVQNIU-KGLIPLIRSA-N 1 3 314.474 0.534 20 0 DCADHO CCCC[C@@H](C(N)=O)N1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001418643733 1000416026 /nfs/dbraw/zinc/41/60/26/1000416026.db2.gz ACHXJANAGBYZCH-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCCNC(=O)[C@H](C)N1CCC[C@H]1CNC(=O)CN1CCCC1 ZINC001418645293 1000416424 /nfs/dbraw/zinc/41/64/24/1000416424.db2.gz FIWLHGFJNHVERI-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418645659 1000418332 /nfs/dbraw/zinc/41/83/32/1000418332.db2.gz HOBIFVWVZCFNHX-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001401571806 1000506359 /nfs/dbraw/zinc/50/63/59/1000506359.db2.gz COIPBGCHRRWSEZ-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001401593978 1000527626 /nfs/dbraw/zinc/52/76/26/1000527626.db2.gz JMUOUWHKLOQXPH-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(C(C)C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001401600938 1000535218 /nfs/dbraw/zinc/53/52/18/1000535218.db2.gz UBBCSYHFVHPNFQ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401626719 1000566160 /nfs/dbraw/zinc/56/61/60/1000566160.db2.gz HGDYKXSSUCYLII-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401626719 1000566164 /nfs/dbraw/zinc/56/61/64/1000566164.db2.gz HGDYKXSSUCYLII-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO CCN1CCN(CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001418916334 1000612900 /nfs/dbraw/zinc/61/29/00/1000612900.db2.gz XKQBXPOISNMASA-IYBDPMFKSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CCN(CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001418916334 1000612903 /nfs/dbraw/zinc/61/29/03/1000612903.db2.gz XKQBXPOISNMASA-IYBDPMFKSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CCN(CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001418916321 1000613242 /nfs/dbraw/zinc/61/32/42/1000613242.db2.gz XKQBXPOISNMASA-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001401725776 1000653102 /nfs/dbraw/zinc/65/31/02/1000653102.db2.gz WESGWDPEOBSIHF-WDEREUQCSA-N 1 3 313.364 0.734 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001401725831 1000662287 /nfs/dbraw/zinc/66/22/87/1000662287.db2.gz XGDTXKXVMSOWDK-BBRMVZONSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001401862178 1000796602 /nfs/dbraw/zinc/79/66/02/1000796602.db2.gz FFAFZJVHEHULED-SWLSCSKDSA-N 1 3 306.410 0.782 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccnn1C ZINC001419194335 1000869704 /nfs/dbraw/zinc/86/97/04/1000869704.db2.gz XPMZFINGUZGTMF-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cnns2)CCN1C(=O)CC[NH+](C)C ZINC001402051579 1000974753 /nfs/dbraw/zinc/97/47/53/1000974753.db2.gz OSTPOXOWGLEBQR-NEPJUHHUSA-N 1 3 311.455 0.959 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN2CCN(CC3CC3)CC2)CC[N@@H+]1C ZINC001402104494 1001018887 /nfs/dbraw/zinc/01/88/87/1001018887.db2.gz RVHOTDUWTLETCZ-DLBZAZTESA-N 1 3 322.497 0.861 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN2CCN(CC3CC3)CC2)CC[N@H+]1C ZINC001402104494 1001018890 /nfs/dbraw/zinc/01/88/90/1001018890.db2.gz RVHOTDUWTLETCZ-DLBZAZTESA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001419420519 1001036298 /nfs/dbraw/zinc/03/62/98/1001036298.db2.gz YTUNMEGCZUTRHA-AAVRWANBSA-N 1 3 310.442 0.088 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001419440496 1001051657 /nfs/dbraw/zinc/05/16/57/1001051657.db2.gz TVRASCGFORQOFY-HDJSIYSDSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001419440496 1001051659 /nfs/dbraw/zinc/05/16/59/1001051659.db2.gz TVRASCGFORQOFY-HDJSIYSDSA-N 1 3 307.442 0.889 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001402267409 1001158483 /nfs/dbraw/zinc/15/84/83/1001158483.db2.gz JFXLFBXAKWLFIQ-NVXWUHKLSA-N 1 3 309.454 0.824 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001402267409 1001158484 /nfs/dbraw/zinc/15/84/84/1001158484.db2.gz JFXLFBXAKWLFIQ-NVXWUHKLSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001419756665 1001282791 /nfs/dbraw/zinc/28/27/91/1001282791.db2.gz CXRPMBXBGKBECO-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001402437909 1001307159 /nfs/dbraw/zinc/30/71/59/1001307159.db2.gz YPGKGUOXYWIAOI-RDBSUJKOSA-N 1 3 312.458 0.240 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001402453103 1001323618 /nfs/dbraw/zinc/32/36/18/1001323618.db2.gz WWFHFOUSVOIQDR-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001402453103 1001323623 /nfs/dbraw/zinc/32/36/23/1001323623.db2.gz WWFHFOUSVOIQDR-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001419936078 1001417681 /nfs/dbraw/zinc/41/76/81/1001417681.db2.gz MOWIDDFLTUVCBS-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1CCC([NH2+]CCn2cncn2)CC1)N(C)C ZINC001402833366 1001522464 /nfs/dbraw/zinc/52/24/64/1001522464.db2.gz VFNXERLEHFTSCH-NRXISQOPSA-N 1 3 322.457 0.635 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001402882031 1001554088 /nfs/dbraw/zinc/55/40/88/1001554088.db2.gz MOODTTAVFWQTGE-MLGOLLRUSA-N 1 3 319.453 0.665 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC1CCCC1 ZINC001402892081 1001560163 /nfs/dbraw/zinc/56/01/63/1001560163.db2.gz NOWONHNQRSNHOW-UMVBOHGHSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC1CCCC1 ZINC001402892081 1001560165 /nfs/dbraw/zinc/56/01/65/1001560165.db2.gz NOWONHNQRSNHOW-UMVBOHGHSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N1CCC1 ZINC001403008039 1001630054 /nfs/dbraw/zinc/63/00/54/1001630054.db2.gz ONHQYVSEBBEZMY-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001403090807 1001669763 /nfs/dbraw/zinc/66/97/63/1001669763.db2.gz VWWQTFWFDBSNGL-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001403164506 1001703024 /nfs/dbraw/zinc/70/30/24/1001703024.db2.gz XYAQZCLXGABRDK-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001403164506 1001703025 /nfs/dbraw/zinc/70/30/25/1001703025.db2.gz XYAQZCLXGABRDK-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001505760074 1016531345 /nfs/dbraw/zinc/53/13/45/1016531345.db2.gz GDRJGOZSUYEBOR-NEPJUHHUSA-N 1 3 306.410 0.330 20 0 DCADHO Cc1nnc(CNC[C@H]2CCC[C@@H]2NC(=O)CCC[NH+](C)C)[nH]1 ZINC001420119223 1001906085 /nfs/dbraw/zinc/90/60/85/1001906085.db2.gz NAYUQWDGVKXQID-KGLIPLIRSA-N 1 3 322.457 0.829 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCn1cncn1 ZINC001424698411 1001927168 /nfs/dbraw/zinc/92/71/68/1001927168.db2.gz LJXHBPRVQHSOJD-HNNXBMFYSA-N 1 3 322.457 0.541 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCn1cncn1 ZINC001424698411 1001927172 /nfs/dbraw/zinc/92/71/72/1001927172.db2.gz LJXHBPRVQHSOJD-HNNXBMFYSA-N 1 3 322.457 0.541 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001403454995 1001981870 /nfs/dbraw/zinc/98/18/70/1001981870.db2.gz CNVRBCIOJJKKRH-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001403454995 1001981880 /nfs/dbraw/zinc/98/18/80/1001981880.db2.gz CNVRBCIOJJKKRH-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001403475914 1002008365 /nfs/dbraw/zinc/00/83/65/1002008365.db2.gz AHMLRFMTLOOUJP-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001403475914 1002008375 /nfs/dbraw/zinc/00/83/75/1002008375.db2.gz AHMLRFMTLOOUJP-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NCc1ccnn1C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424811893 1002053333 /nfs/dbraw/zinc/05/33/33/1002053333.db2.gz BUPOOQGCFIVVOP-OLZOCXBDSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424817870 1002059479 /nfs/dbraw/zinc/05/94/79/1002059479.db2.gz HKUSDFCNEUVNFY-CHWSQXEVSA-N 1 3 312.458 0.336 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@H]1CCNC1=O ZINC001420233920 1002085614 /nfs/dbraw/zinc/08/56/14/1002085614.db2.gz KDCQDXVZJMPEIH-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@H]1CCNC1=O ZINC001420233920 1002085626 /nfs/dbraw/zinc/08/56/26/1002085626.db2.gz KDCQDXVZJMPEIH-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001403554905 1002133397 /nfs/dbraw/zinc/13/33/97/1002133397.db2.gz NBHNJFWCIMLHMB-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CCn1cncn1 ZINC001420419039 1002389658 /nfs/dbraw/zinc/38/96/58/1002389658.db2.gz AEEMDSRBEGGFEK-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CCn1cncn1 ZINC001420419039 1002389671 /nfs/dbraw/zinc/38/96/71/1002389671.db2.gz AEEMDSRBEGGFEK-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CO[C@H](CN(C)CCNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001403731528 1002434111 /nfs/dbraw/zinc/43/41/11/1002434111.db2.gz KGTYBJJACARUMG-OAHLLOKOSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001403760337 1002480701 /nfs/dbraw/zinc/48/07/01/1002480701.db2.gz VJEFAEIQBXGUNV-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001420548939 1002599007 /nfs/dbraw/zinc/59/90/07/1002599007.db2.gz PHLXPCDULBICEB-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001420548939 1002599014 /nfs/dbraw/zinc/59/90/14/1002599014.db2.gz PHLXPCDULBICEB-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001425379429 1002623667 /nfs/dbraw/zinc/62/36/67/1002623667.db2.gz FCRVJSGQYCSOIW-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001425379429 1002623674 /nfs/dbraw/zinc/62/36/74/1002623674.db2.gz FCRVJSGQYCSOIW-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001425394195 1002637962 /nfs/dbraw/zinc/63/79/62/1002637962.db2.gz RFYQSCMLOONTKK-HDJSIYSDSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccnc1 ZINC001403876383 1002668333 /nfs/dbraw/zinc/66/83/33/1002668333.db2.gz HCNYRNIPCAWLKC-OAHLLOKOSA-N 1 3 308.426 0.331 20 0 DCADHO C[C@H](C[N@H+](C)CCc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001420620837 1002698681 /nfs/dbraw/zinc/69/86/81/1002698681.db2.gz FDUNSSGLLMZDPL-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](C[N@@H+](C)CCc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001420620837 1002698684 /nfs/dbraw/zinc/69/86/84/1002698684.db2.gz FDUNSSGLLMZDPL-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC001508144393 1016671500 /nfs/dbraw/zinc/67/15/00/1016671500.db2.gz BAKLRACWKVXPGR-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001425555701 1002808825 /nfs/dbraw/zinc/80/88/25/1002808825.db2.gz KMNWIRGQIUQMIM-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001425555701 1002808832 /nfs/dbraw/zinc/80/88/32/1002808832.db2.gz KMNWIRGQIUQMIM-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C)C(N)=O ZINC001403968590 1002819493 /nfs/dbraw/zinc/81/94/93/1002819493.db2.gz GDVVCAHWCKREJS-CHWSQXEVSA-N 1 3 314.474 0.711 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001425587948 1002854877 /nfs/dbraw/zinc/85/48/77/1002854877.db2.gz BGFNJEKKOWPEMG-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001425630288 1002910893 /nfs/dbraw/zinc/91/08/93/1002910893.db2.gz OYWVGCGXPJOSAX-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001425630287 1002910982 /nfs/dbraw/zinc/91/09/82/1002910982.db2.gz OYWVGCGXPJOSAX-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001425655619 1002934012 /nfs/dbraw/zinc/93/40/12/1002934012.db2.gz LEUXMWBILTXBTJ-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001425664398 1002940615 /nfs/dbraw/zinc/94/06/15/1002940615.db2.gz UYQIZNHUVMREPQ-DOMZBBRYSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001425684679 1002957069 /nfs/dbraw/zinc/95/70/69/1002957069.db2.gz QNIVNAZUAGHMCK-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001425684679 1002957086 /nfs/dbraw/zinc/95/70/86/1002957086.db2.gz QNIVNAZUAGHMCK-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCCC(F)(F)F)C1 ZINC001425837291 1003166139 /nfs/dbraw/zinc/16/61/39/1003166139.db2.gz QSFHNSOJZCDLJB-WDEREUQCSA-N 1 3 311.348 0.347 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCCC(F)(F)F)C1 ZINC001425837291 1003166146 /nfs/dbraw/zinc/16/61/46/1003166146.db2.gz QSFHNSOJZCDLJB-WDEREUQCSA-N 1 3 311.348 0.347 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405879782 1003169967 /nfs/dbraw/zinc/16/99/67/1003169967.db2.gz ATWHCOLBFBQBCA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405879782 1003169972 /nfs/dbraw/zinc/16/99/72/1003169972.db2.gz ATWHCOLBFBQBCA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001405903312 1003185989 /nfs/dbraw/zinc/18/59/89/1003185989.db2.gz RFKFCMLBSPIWBP-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001405903312 1003185994 /nfs/dbraw/zinc/18/59/94/1003185994.db2.gz RFKFCMLBSPIWBP-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001405963876 1003224616 /nfs/dbraw/zinc/22/46/16/1003224616.db2.gz GQGNPTQYQJGULE-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001405986006 1003242471 /nfs/dbraw/zinc/24/24/71/1003242471.db2.gz GXDXVHKGMORHLE-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001405986006 1003242477 /nfs/dbraw/zinc/24/24/77/1003242477.db2.gz GXDXVHKGMORHLE-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@H]1C ZINC001425925488 1003258186 /nfs/dbraw/zinc/25/81/86/1003258186.db2.gz VIPYDNBLSSGRFR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@H]1C ZINC001425925488 1003258209 /nfs/dbraw/zinc/25/82/09/1003258209.db2.gz VIPYDNBLSSGRFR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC(N)=O ZINC001406012702 1003263535 /nfs/dbraw/zinc/26/35/35/1003263535.db2.gz GEGLLNXRZTVDAB-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001421109486 1003327844 /nfs/dbraw/zinc/32/78/44/1003327844.db2.gz IRQZPDWDCXRIJE-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCN(C)C1=O ZINC001421143029 1003376215 /nfs/dbraw/zinc/37/62/15/1003376215.db2.gz WMTTVADYCAMFIL-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCN(C)C1=O ZINC001421143029 1003376223 /nfs/dbraw/zinc/37/62/23/1003376223.db2.gz WMTTVADYCAMFIL-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001426085270 1003419559 /nfs/dbraw/zinc/41/95/59/1003419559.db2.gz RSWZNJNHHSRDGL-UONOGXRCSA-N 1 3 317.474 0.096 20 0 DCADHO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001426085270 1003419563 /nfs/dbraw/zinc/41/95/63/1003419563.db2.gz RSWZNJNHHSRDGL-UONOGXRCSA-N 1 3 317.474 0.096 20 0 DCADHO Cc1ccc(F)c(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001406276007 1003559818 /nfs/dbraw/zinc/55/98/18/1003559818.db2.gz CWGYPMGASLIEOI-UKRRQHHQSA-N 1 3 323.412 0.653 20 0 DCADHO Cc1ccc(F)c(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001406276007 1003559823 /nfs/dbraw/zinc/55/98/23/1003559823.db2.gz CWGYPMGASLIEOI-UKRRQHHQSA-N 1 3 323.412 0.653 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001421348510 1003572554 /nfs/dbraw/zinc/57/25/54/1003572554.db2.gz LINCQLNEFFDNEF-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001421348510 1003572561 /nfs/dbraw/zinc/57/25/61/1003572561.db2.gz LINCQLNEFFDNEF-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001406366322 1003645037 /nfs/dbraw/zinc/64/50/37/1003645037.db2.gz SALXFFLSMXMEBJ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001406366322 1003645039 /nfs/dbraw/zinc/64/50/39/1003645039.db2.gz SALXFFLSMXMEBJ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001428330483 1003867362 /nfs/dbraw/zinc/86/73/62/1003867362.db2.gz KIQDXGXCWZXHJL-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001406768936 1004076145 /nfs/dbraw/zinc/07/61/45/1004076145.db2.gz LBVTXJWOVWYDDQ-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001406769821 1004077124 /nfs/dbraw/zinc/07/71/24/1004077124.db2.gz FLRPIOBYRZSQSW-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001406769821 1004077128 /nfs/dbraw/zinc/07/71/28/1004077128.db2.gz FLRPIOBYRZSQSW-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001428744154 1004144423 /nfs/dbraw/zinc/14/44/23/1004144423.db2.gz TTWSQIRWBQUITR-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428744154 1004144431 /nfs/dbraw/zinc/14/44/31/1004144431.db2.gz TTWSQIRWBQUITR-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001428959085 1004289659 /nfs/dbraw/zinc/28/96/59/1004289659.db2.gz VQHRKSGGWXZXTR-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001407124569 1004405565 /nfs/dbraw/zinc/40/55/65/1004405565.db2.gz VQWMQWHALSOOEE-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(C)CCN([C@H]2CCNC2=O)CC1 ZINC001407270256 1004507881 /nfs/dbraw/zinc/50/78/81/1004507881.db2.gz DKQJLOAKJIYOHO-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)CN1CCCC1 ZINC001429596865 1004689052 /nfs/dbraw/zinc/68/90/52/1004689052.db2.gz FKIBVMWXTGOQEX-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)CN1CCCC1 ZINC001429596865 1004689053 /nfs/dbraw/zinc/68/90/53/1004689053.db2.gz FKIBVMWXTGOQEX-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001407648456 1004784389 /nfs/dbraw/zinc/78/43/89/1004784389.db2.gz MWKHZLIMQRLZAT-SOUVJXGZSA-N 1 3 315.433 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001407648456 1004784395 /nfs/dbraw/zinc/78/43/95/1004784395.db2.gz MWKHZLIMQRLZAT-SOUVJXGZSA-N 1 3 315.433 0.581 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001407711221 1004816836 /nfs/dbraw/zinc/81/68/36/1004816836.db2.gz SRPNAVOAIMPUPW-HDJSIYSDSA-N 1 3 324.469 0.481 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001407767448 1004848159 /nfs/dbraw/zinc/84/81/59/1004848159.db2.gz XSIGAUDYLWFGGN-CYBMUJFWSA-N 1 3 308.430 0.238 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001414503609 1005347787 /nfs/dbraw/zinc/34/77/87/1005347787.db2.gz KPQBVMHHNOELKD-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001414503609 1005347789 /nfs/dbraw/zinc/34/77/89/1005347789.db2.gz KPQBVMHHNOELKD-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001416004950 1005646708 /nfs/dbraw/zinc/64/67/08/1005646708.db2.gz ARYBWPPLCVETGX-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001416488041 1005705693 /nfs/dbraw/zinc/70/56/93/1005705693.db2.gz YSPVLPNZVWWGBW-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001417628975 1005855144 /nfs/dbraw/zinc/85/51/44/1005855144.db2.gz NAMVLDDNIMWONB-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO CCCCN1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001417917246 1005925314 /nfs/dbraw/zinc/92/53/14/1005925314.db2.gz KQCVIBSZMWNYHC-QGZVFWFLSA-N 1 3 322.497 0.862 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438644144 1005980224 /nfs/dbraw/zinc/98/02/24/1005980224.db2.gz QADUFVNIJUMJPU-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438654838 1005994048 /nfs/dbraw/zinc/99/40/48/1005994048.db2.gz TWIZQOCZSSVHEA-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001438708099 1006057094 /nfs/dbraw/zinc/05/70/94/1006057094.db2.gz YKLSNZYRVCWJCP-CQSZACIVSA-N 1 3 322.453 0.664 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438712008 1006059442 /nfs/dbraw/zinc/05/94/42/1006059442.db2.gz VIYZUUDQYYWRKD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438712008 1006059454 /nfs/dbraw/zinc/05/94/54/1006059454.db2.gz VIYZUUDQYYWRKD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001418163349 1006119031 /nfs/dbraw/zinc/11/90/31/1006119031.db2.gz OSEFXWJEIPPTFP-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001436357809 1006142516 /nfs/dbraw/zinc/14/25/16/1006142516.db2.gz FCJORVIKMQOGNY-RFQIPJPRSA-N 1 3 312.458 0.321 20 0 DCADHO CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1ccnn1C ZINC001438835123 1006149865 /nfs/dbraw/zinc/14/98/65/1006149865.db2.gz MXMHTAFZLBBRBF-OAHLLOKOSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001418272668 1006284615 /nfs/dbraw/zinc/28/46/15/1006284615.db2.gz SIZJILSKGDZRFB-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001418274094 1006288180 /nfs/dbraw/zinc/28/81/80/1006288180.db2.gz HGNOWOUVPCRJCX-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439079865 1006444681 /nfs/dbraw/zinc/44/46/81/1006444681.db2.gz DTGKQNCMCILEKB-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439079865 1006444690 /nfs/dbraw/zinc/44/46/90/1006444690.db2.gz DTGKQNCMCILEKB-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439085662 1006453509 /nfs/dbraw/zinc/45/35/09/1006453509.db2.gz URMBWWSJKPVFBN-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439085662 1006453512 /nfs/dbraw/zinc/45/35/12/1006453512.db2.gz URMBWWSJKPVFBN-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001436953773 1006479761 /nfs/dbraw/zinc/47/97/61/1006479761.db2.gz NVEOPSFHTGMOOK-BETUJISGSA-N 1 3 310.442 0.234 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001436962637 1006486813 /nfs/dbraw/zinc/48/68/13/1006486813.db2.gz FGSWHECSTOVPPG-RTXFEEFZSA-N 1 3 320.441 0.753 20 0 DCADHO CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001436974967 1006493101 /nfs/dbraw/zinc/49/31/01/1006493101.db2.gz CTRLWIDTTIUNCD-OKILXGFUSA-N 1 3 322.457 0.683 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C(C)C)C1=O)N(C)C ZINC001439128328 1006497056 /nfs/dbraw/zinc/49/70/56/1006497056.db2.gz GHAHDRLONJMLRF-HZSPNIEDSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001439156190 1006521067 /nfs/dbraw/zinc/52/10/67/1006521067.db2.gz ZOMFYVFHUIKFNW-CHWSQXEVSA-N 1 3 320.437 0.372 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001439246198 1006620502 /nfs/dbraw/zinc/62/05/02/1006620502.db2.gz QLCJEDRSRPWTQE-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H](CNCc1cn(C)nc1C(F)F)NC(=O)CC[NH+](C)C ZINC001439247487 1006623440 /nfs/dbraw/zinc/62/34/40/1006623440.db2.gz XTIZWSGOJHBTLE-JTQLQIEISA-N 1 3 317.384 0.904 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437129367 1006625578 /nfs/dbraw/zinc/62/55/78/1006625578.db2.gz JIFNQAJLLWTBJZ-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(C)(C)C ZINC001437143543 1006639124 /nfs/dbraw/zinc/63/91/24/1006639124.db2.gz HEKDMGONVMPATJ-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001439268969 1006642734 /nfs/dbraw/zinc/64/27/34/1006642734.db2.gz ZYVQZKAKCQKXED-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001437196924 1006692221 /nfs/dbraw/zinc/69/22/21/1006692221.db2.gz GABQACIEFPLYIJ-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001437207626 1006708396 /nfs/dbraw/zinc/70/83/96/1006708396.db2.gz NSGUHLGLFFLUNH-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001437207631 1006710908 /nfs/dbraw/zinc/71/09/08/1006710908.db2.gz NSGUHLGLFFLUNH-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001437258867 1006774830 /nfs/dbraw/zinc/77/48/30/1006774830.db2.gz CRIQBOUKGWGMGB-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001439780103 1007190313 /nfs/dbraw/zinc/19/03/13/1007190313.db2.gz ZELCTUFUTCQLDV-CHWSQXEVSA-N 1 3 321.425 0.448 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+]1CCCCCC1 ZINC001439781778 1007190994 /nfs/dbraw/zinc/19/09/94/1007190994.db2.gz DUUUQDQRNKFRNZ-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001439816162 1007219230 /nfs/dbraw/zinc/21/92/30/1007219230.db2.gz NJDLDVAWGNYIAN-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001453416546 1007461287 /nfs/dbraw/zinc/46/12/87/1007461287.db2.gz DKZMFYNXTNLLDI-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001453416546 1007461297 /nfs/dbraw/zinc/46/12/97/1007461297.db2.gz DKZMFYNXTNLLDI-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC3CC3)CC2)CC[N@@H+]1C ZINC001437956447 1007534741 /nfs/dbraw/zinc/53/47/41/1007534741.db2.gz WEQMAYAPQLYOQM-NVXWUHKLSA-N 1 3 322.497 0.813 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN2CCN(CC3CC3)CC2)CC[N@H+]1C ZINC001437956447 1007534756 /nfs/dbraw/zinc/53/47/56/1007534756.db2.gz WEQMAYAPQLYOQM-NVXWUHKLSA-N 1 3 322.497 0.813 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437990103 1007566192 /nfs/dbraw/zinc/56/61/92/1007566192.db2.gz PHCRMTRJZMQGQT-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437990103 1007566206 /nfs/dbraw/zinc/56/62/06/1007566206.db2.gz PHCRMTRJZMQGQT-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001440309306 1007660549 /nfs/dbraw/zinc/66/05/49/1007660549.db2.gz VVDUUMWHHXYXTM-SOUVJXGZSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H](C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1)OC ZINC001440396470 1007725062 /nfs/dbraw/zinc/72/50/62/1007725062.db2.gz JPMJBTKAALSSSR-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO CN(CCC[N@H+](C)CCn1cncn1)C(=O)[C@H]1CCCN1C ZINC001440445730 1007776266 /nfs/dbraw/zinc/77/62/66/1007776266.db2.gz OWMLIEJYVINLOL-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CCCN1C ZINC001440445730 1007776273 /nfs/dbraw/zinc/77/62/73/1007776273.db2.gz OWMLIEJYVINLOL-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)N1CCCCC1 ZINC001440839772 1008059504 /nfs/dbraw/zinc/05/95/04/1008059504.db2.gz PPVGYUSQSCFVPF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001441312220 1008317320 /nfs/dbraw/zinc/31/73/20/1008317320.db2.gz QVOONLZXAKXMIK-XQLPTFJDSA-N 1 3 322.453 0.029 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001441312220 1008317326 /nfs/dbraw/zinc/31/73/26/1008317326.db2.gz QVOONLZXAKXMIK-XQLPTFJDSA-N 1 3 322.453 0.029 20 0 DCADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001441439166 1008355267 /nfs/dbraw/zinc/35/52/67/1008355267.db2.gz AVDLBIUFXKSNRH-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001441528347 1008391369 /nfs/dbraw/zinc/39/13/69/1008391369.db2.gz NFAUZCOCNMKCAD-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001441594597 1008417947 /nfs/dbraw/zinc/41/79/47/1008417947.db2.gz TWMAJAYNUXOOGJ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN(CCn2cncn2)C1 ZINC001441596812 1008419236 /nfs/dbraw/zinc/41/92/36/1008419236.db2.gz YVVOMGHWPOTIHI-OAHLLOKOSA-N 1 3 322.457 0.448 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(CCn2cncn2)C1 ZINC001441596812 1008419239 /nfs/dbraw/zinc/41/92/39/1008419239.db2.gz YVVOMGHWPOTIHI-OAHLLOKOSA-N 1 3 322.457 0.448 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N(C)C2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001441822637 1008520063 /nfs/dbraw/zinc/52/00/63/1008520063.db2.gz LLGCYPIXCFTUQQ-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001441831736 1008534045 /nfs/dbraw/zinc/53/40/45/1008534045.db2.gz WLCFQIUJNRBVLM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N(C)CCN(C)C(=O)CC[NH+](C)C)CCC1 ZINC001433183253 1008584466 /nfs/dbraw/zinc/58/44/66/1008584466.db2.gz CKYPPNOULDUYDG-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](CC)C(N)=O ZINC001421445371 1008600890 /nfs/dbraw/zinc/60/08/90/1008600890.db2.gz YEMKDGMXEZHALB-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001421468130 1008627667 /nfs/dbraw/zinc/62/76/67/1008627667.db2.gz HQQHNFULARSHNR-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001421468130 1008627677 /nfs/dbraw/zinc/62/76/77/1008627677.db2.gz HQQHNFULARSHNR-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(N)=O ZINC001441910223 1008645974 /nfs/dbraw/zinc/64/59/74/1008645974.db2.gz BTOXLOMWYPVQIC-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001453702120 1008670353 /nfs/dbraw/zinc/67/03/53/1008670353.db2.gz KNBYQQSNZXOGSI-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001453702120 1008670363 /nfs/dbraw/zinc/67/03/63/1008670363.db2.gz KNBYQQSNZXOGSI-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441953196 1008698051 /nfs/dbraw/zinc/69/80/51/1008698051.db2.gz WNHNUFBDGDQWMZ-RDBSUJKOSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441953196 1008698062 /nfs/dbraw/zinc/69/80/62/1008698062.db2.gz WNHNUFBDGDQWMZ-RDBSUJKOSA-N 1 3 312.458 0.336 20 0 DCADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)n1 ZINC001421594787 1008770946 /nfs/dbraw/zinc/77/09/46/1008770946.db2.gz UXVFZYXJMYXURQ-HDJSIYSDSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001421627358 1008832556 /nfs/dbraw/zinc/83/25/56/1008832556.db2.gz MXTXUPVDVCJBSQ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001421637995 1008844894 /nfs/dbraw/zinc/84/48/94/1008844894.db2.gz NIMJXZIDEVYNIR-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001442053083 1008886810 /nfs/dbraw/zinc/88/68/10/1008886810.db2.gz PWHFUODZNBDDFA-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001442053083 1008886819 /nfs/dbraw/zinc/88/68/19/1008886819.db2.gz PWHFUODZNBDDFA-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001433545363 1008924573 /nfs/dbraw/zinc/92/45/73/1008924573.db2.gz FWWFOQATVLZAIH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001433545363 1008924584 /nfs/dbraw/zinc/92/45/84/1008924584.db2.gz FWWFOQATVLZAIH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N1CCC1 ZINC001421708485 1008966579 /nfs/dbraw/zinc/96/65/79/1008966579.db2.gz WXYUOJMJHPANPQ-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)Cn2ccnc2C)CC1 ZINC001433663376 1009041253 /nfs/dbraw/zinc/04/12/53/1009041253.db2.gz UXOXYLXIKXGKNV-CQSZACIVSA-N 1 3 307.442 0.581 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001421770136 1009063789 /nfs/dbraw/zinc/06/37/89/1009063789.db2.gz RHOYIJIJUFETRK-CHWSQXEVSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001422316978 1009857548 /nfs/dbraw/zinc/85/75/48/1009857548.db2.gz DUVPUDOQNBOQGN-STQMWFEESA-N 1 3 307.442 0.887 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001422332283 1009897201 /nfs/dbraw/zinc/89/72/01/1009897201.db2.gz VITJUSKXMAIPNC-NWDGAFQWSA-N 1 3 310.442 0.232 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001442907067 1009920856 /nfs/dbraw/zinc/92/08/56/1009920856.db2.gz OMXCHVVPEFYHNG-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001442907067 1009920863 /nfs/dbraw/zinc/92/08/63/1009920863.db2.gz OMXCHVVPEFYHNG-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCn1nc(C)c(CN[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC001434506344 1010044960 /nfs/dbraw/zinc/04/49/60/1010044960.db2.gz VABOAACSPVFRGW-CQSZACIVSA-N 1 3 306.458 0.865 20 0 DCADHO CCn1nc(C)c(CN[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC001434506344 1010044972 /nfs/dbraw/zinc/04/49/72/1010044972.db2.gz VABOAACSPVFRGW-CQSZACIVSA-N 1 3 306.458 0.865 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001422449318 1010103356 /nfs/dbraw/zinc/10/33/56/1010103356.db2.gz KZKRHGNVFSWJBV-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001422449318 1010103370 /nfs/dbraw/zinc/10/33/70/1010103370.db2.gz KZKRHGNVFSWJBV-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001443076008 1010118237 /nfs/dbraw/zinc/11/82/37/1010118237.db2.gz KLJAHRBYMLTLHL-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO Cn1cc(CN2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)cn1 ZINC001443252181 1010266755 /nfs/dbraw/zinc/26/67/55/1010266755.db2.gz WDGPQXTYAUHRRT-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001423033412 1010825435 /nfs/dbraw/zinc/82/54/35/1010825435.db2.gz WAGHJYYZICOFKZ-QEJZJMRPSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001423033412 1010825437 /nfs/dbraw/zinc/82/54/37/1010825437.db2.gz WAGHJYYZICOFKZ-QEJZJMRPSA-N 1 3 324.469 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NCC ZINC001423064777 1010857409 /nfs/dbraw/zinc/85/74/09/1010857409.db2.gz WOAIDUXFEPMFID-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NCC ZINC001423064777 1010857414 /nfs/dbraw/zinc/85/74/14/1010857414.db2.gz WOAIDUXFEPMFID-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001444106940 1010858261 /nfs/dbraw/zinc/85/82/61/1010858261.db2.gz DFJIBYOZSGGFIQ-BBRMVZONSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1cncn1C ZINC001423110311 1010895280 /nfs/dbraw/zinc/89/52/80/1010895280.db2.gz YKSZRQAMKFLZCU-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCN(C)C1=O ZINC001423153536 1010927097 /nfs/dbraw/zinc/92/70/97/1010927097.db2.gz FOOPJZMKFATAFZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCN(C)C1=O ZINC001423153536 1010927100 /nfs/dbraw/zinc/92/71/00/1010927100.db2.gz FOOPJZMKFATAFZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001423166310 1010936340 /nfs/dbraw/zinc/93/63/40/1010936340.db2.gz KXIGVMGEOXECGG-ZDUSSCGKSA-N 1 3 307.442 0.761 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001423309809 1011066732 /nfs/dbraw/zinc/06/67/32/1011066732.db2.gz XTSIUYZVOUVBHT-AWEZNQCLSA-N 1 3 322.453 0.379 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NCC ZINC001444611980 1011095182 /nfs/dbraw/zinc/09/51/82/1011095182.db2.gz KIGLDQKMNGLFJQ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NCC ZINC001444611980 1011095187 /nfs/dbraw/zinc/09/51/87/1011095187.db2.gz KIGLDQKMNGLFJQ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C)NC(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001444720723 1011146757 /nfs/dbraw/zinc/14/67/57/1011146757.db2.gz YEDZFUFTOSSQMG-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444737883 1011153560 /nfs/dbraw/zinc/15/35/60/1011153560.db2.gz YAAQEJOICPSZEN-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444737883 1011153563 /nfs/dbraw/zinc/15/35/63/1011153563.db2.gz YAAQEJOICPSZEN-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCCC1 ZINC001423459233 1011163356 /nfs/dbraw/zinc/16/33/56/1011163356.db2.gz YDMJDGSFQHRSGE-UKRRQHHQSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001423476001 1011174344 /nfs/dbraw/zinc/17/43/44/1011174344.db2.gz WQPHFSKUMVPUKC-HOCLYGCPSA-N 1 3 320.437 0.332 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](NCC(N)=O)C(C)C)C1 ZINC001444889260 1011199004 /nfs/dbraw/zinc/19/90/04/1011199004.db2.gz IAZQLDHJYMEAAP-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](NCC(N)=O)C(C)C)C1 ZINC001444889260 1011199008 /nfs/dbraw/zinc/19/90/08/1011199008.db2.gz IAZQLDHJYMEAAP-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001423546463 1011240149 /nfs/dbraw/zinc/24/01/49/1011240149.db2.gz VBRDOHXKUZDTOQ-TZMCWYRMSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001423546463 1011240163 /nfs/dbraw/zinc/24/01/63/1011240163.db2.gz VBRDOHXKUZDTOQ-TZMCWYRMSA-N 1 3 310.442 0.078 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001456485222 1011304137 /nfs/dbraw/zinc/30/41/37/1011304137.db2.gz MJJIPOMVRPDAAJ-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001456553932 1011338645 /nfs/dbraw/zinc/33/86/45/1011338645.db2.gz CZEHNDXEIPEMQI-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001456553932 1011338657 /nfs/dbraw/zinc/33/86/57/1011338657.db2.gz CZEHNDXEIPEMQI-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001423687569 1011421673 /nfs/dbraw/zinc/42/16/73/1011421673.db2.gz OXUJKSNQWTVJJC-JXQTWKCFSA-N 1 3 313.442 0.057 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001533534484 1011438027 /nfs/dbraw/zinc/43/80/27/1011438027.db2.gz AFRGRFZWQKWLIP-IYKSTZQJSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001533534484 1011438032 /nfs/dbraw/zinc/43/80/32/1011438032.db2.gz AFRGRFZWQKWLIP-IYKSTZQJSA-N 1 3 324.469 0.457 20 0 DCADHO O=C(NC[C@@H](O)CNCc1cccnc1)C12CCC[NH+]1CCC2 ZINC001445212372 1011528911 /nfs/dbraw/zinc/52/89/11/1011528911.db2.gz XHJMGKMQSRDFML-HNNXBMFYSA-N 1 3 318.421 0.277 20 0 DCADHO O=C(NC[C@H](O)CNCc1ccccc1F)C12CC[NH+](CC1)C2 ZINC001445267215 1011599348 /nfs/dbraw/zinc/59/93/48/1011599348.db2.gz YDTHABZZCVFBBE-CQSZACIVSA-N 1 3 321.396 0.488 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001432036015 1011892429 /nfs/dbraw/zinc/89/24/29/1011892429.db2.gz MBUZMOVCEJJLRC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001432036015 1011892441 /nfs/dbraw/zinc/89/24/41/1011892441.db2.gz MBUZMOVCEJJLRC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCn1cc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)nn1 ZINC001424070013 1011947690 /nfs/dbraw/zinc/94/76/90/1011947690.db2.gz QKFYWBOCEWSYEJ-KBPBESRZSA-N 1 3 322.457 0.434 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H]([NH3+])C2(CCC2)C1 ZINC001553452999 1011992056 /nfs/dbraw/zinc/99/20/56/1011992056.db2.gz WMNQXRGNWIDXOL-UONOGXRCSA-N 1 3 310.442 0.620 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553498738 1012032452 /nfs/dbraw/zinc/03/24/52/1012032452.db2.gz YTIHNBDEUUORFI-SOUVJXGZSA-N 1 3 310.442 0.227 20 0 DCADHO [NH3+][C@@]1(c2ccccc2)CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC001553500119 1012038314 /nfs/dbraw/zinc/03/83/14/1012038314.db2.gz BSAWHKUTJIHUQM-ZBFHGGJFSA-N 1 3 304.394 0.244 20 0 DCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553513627 1012057511 /nfs/dbraw/zinc/05/75/11/1012057511.db2.gz ZELWASOBWKASJV-RBSFLKMASA-N 1 3 322.453 0.369 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553546440 1012098359 /nfs/dbraw/zinc/09/83/59/1012098359.db2.gz FYHAPXHHDZLOCU-KBPBESRZSA-N 1 3 310.442 0.620 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001424178603 1012133442 /nfs/dbraw/zinc/13/34/42/1012133442.db2.gz WTAKVFRVNZQILE-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001424178603 1012133453 /nfs/dbraw/zinc/13/34/53/1012133453.db2.gz WTAKVFRVNZQILE-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001424197543 1012157407 /nfs/dbraw/zinc/15/74/07/1012157407.db2.gz NOSAKYXKDPIOAB-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001432253611 1012203932 /nfs/dbraw/zinc/20/39/32/1012203932.db2.gz MQCFUIDUAKISNF-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445762504 1012220194 /nfs/dbraw/zinc/22/01/94/1012220194.db2.gz ZBVVTVLMMOADBF-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445762504 1012220207 /nfs/dbraw/zinc/22/02/07/1012220207.db2.gz ZBVVTVLMMOADBF-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001459205121 1012625730 /nfs/dbraw/zinc/62/57/30/1012625730.db2.gz AEJWLMIHJVICRG-CYBMUJFWSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001459205121 1012625742 /nfs/dbraw/zinc/62/57/42/1012625742.db2.gz AEJWLMIHJVICRG-CYBMUJFWSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001446292055 1012730286 /nfs/dbraw/zinc/73/02/86/1012730286.db2.gz HWXPBNBTPQKKOH-HNNXBMFYSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001446292055 1012730303 /nfs/dbraw/zinc/73/03/03/1012730303.db2.gz HWXPBNBTPQKKOH-HNNXBMFYSA-N 1 3 324.469 0.372 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)C1 ZINC001548643343 1012870977 /nfs/dbraw/zinc/87/09/77/1012870977.db2.gz SQQQKSMUENCMTH-WCVJEAGWSA-N 1 3 309.454 0.944 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)C1 ZINC001548643343 1012870995 /nfs/dbraw/zinc/87/09/95/1012870995.db2.gz SQQQKSMUENCMTH-WCVJEAGWSA-N 1 3 309.454 0.944 20 0 DCADHO Cc1ncoc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446750988 1012947448 /nfs/dbraw/zinc/94/74/48/1012947448.db2.gz YHYQZBFKKHMOMI-XJKSGUPXSA-N 1 3 322.409 0.130 20 0 DCADHO Cc1ncoc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001446750988 1012947458 /nfs/dbraw/zinc/94/74/58/1012947458.db2.gz YHYQZBFKKHMOMI-XJKSGUPXSA-N 1 3 322.409 0.130 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001506331342 1017219997 /nfs/dbraw/zinc/21/99/97/1017219997.db2.gz FFNJAPPLSKUYLW-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC001521470239 1017382470 /nfs/dbraw/zinc/38/24/70/1017382470.db2.gz NCQCHCCWEXYBFF-UUCFBXCCSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCCC1 ZINC001479589525 1017590713 /nfs/dbraw/zinc/59/07/13/1017590713.db2.gz AXPJXNYOAXKXAP-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCCF)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001506841438 1017602600 /nfs/dbraw/zinc/60/26/00/1017602600.db2.gz BDHXANDCTCMZMN-STQMWFEESA-N 1 3 301.406 0.503 20 0 DCADHO CN(CC(=O)NC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001506967100 1017712477 /nfs/dbraw/zinc/71/24/77/1017712477.db2.gz JQMSMWAVQZCWRT-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)NC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001506967100 1017712487 /nfs/dbraw/zinc/71/24/87/1017712487.db2.gz JQMSMWAVQZCWRT-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@@H](C)C1 ZINC001497054072 1017790490 /nfs/dbraw/zinc/79/04/90/1017790490.db2.gz NKGJTPIDMCDVED-CJNGLKHVSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@@H](C)C1 ZINC001497054073 1017791845 /nfs/dbraw/zinc/79/18/45/1017791845.db2.gz NKGJTPIDMCDVED-CZUORRHYSA-N 1 3 320.437 0.299 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN2CCN(CCCF)CC2)C1 ZINC001479937911 1018007354 /nfs/dbraw/zinc/00/73/54/1018007354.db2.gz GTSOFBQFKWXKGJ-OAHLLOKOSA-N 1 3 314.449 0.422 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN2CCN(CCCF)CC2)C1 ZINC001479937911 1018007369 /nfs/dbraw/zinc/00/73/69/1018007369.db2.gz GTSOFBQFKWXKGJ-OAHLLOKOSA-N 1 3 314.449 0.422 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497384178 1018100125 /nfs/dbraw/zinc/10/01/25/1018100125.db2.gz UMZSKVVSKIOFHL-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497384178 1018100134 /nfs/dbraw/zinc/10/01/34/1018100134.db2.gz UMZSKVVSKIOFHL-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(C(=O)CN2CCCC2)C2CC2)C1 ZINC001497445426 1018141983 /nfs/dbraw/zinc/14/19/83/1018141983.db2.gz XPJPKMQMABJQMJ-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCN(C(=O)CN2CCCC2)C2CC2)C1 ZINC001497445426 1018141990 /nfs/dbraw/zinc/14/19/90/1018141990.db2.gz XPJPKMQMABJQMJ-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001497585229 1018251145 /nfs/dbraw/zinc/25/11/45/1018251145.db2.gz HOBBVILLHLYSTQ-IRRAIKHBSA-N 1 3 322.453 0.209 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001497585229 1018251156 /nfs/dbraw/zinc/25/11/56/1018251156.db2.gz HOBBVILLHLYSTQ-IRRAIKHBSA-N 1 3 322.453 0.209 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O ZINC001497601018 1018266717 /nfs/dbraw/zinc/26/67/17/1018266717.db2.gz RJMQXACPTMRQBI-DPOFCPOHSA-N 1 3 322.453 0.354 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O ZINC001497601018 1018266725 /nfs/dbraw/zinc/26/67/25/1018266725.db2.gz RJMQXACPTMRQBI-DPOFCPOHSA-N 1 3 322.453 0.354 20 0 DCADHO CC[N@H+](C)CCC(=O)NC/C=C/CN[C@H]1CCCN(C)C1=O ZINC001497719972 1018364291 /nfs/dbraw/zinc/36/42/91/1018364291.db2.gz SWSVRYHWSHNBRF-GJBLVYBDSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC/C=C/CN[C@H]1CCCN(C)C1=O ZINC001497719972 1018364304 /nfs/dbraw/zinc/36/43/04/1018364304.db2.gz SWSVRYHWSHNBRF-GJBLVYBDSA-N 1 3 310.442 0.211 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001500328748 1018414162 /nfs/dbraw/zinc/41/41/62/1018414162.db2.gz UZWSHHARVFWDOE-YOEHRIQHSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001480463584 1018561365 /nfs/dbraw/zinc/56/13/65/1018561365.db2.gz WVEGMNYWNKGRJE-SWLSCSKDSA-N 1 3 305.426 0.356 20 0 DCADHO COc1cncc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001495807445 1018708921 /nfs/dbraw/zinc/70/89/21/1018708921.db2.gz CFDKLEZGKAIGEI-STQMWFEESA-N 1 3 321.425 0.279 20 0 DCADHO COc1cncc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001495807445 1018708930 /nfs/dbraw/zinc/70/89/30/1018708930.db2.gz CFDKLEZGKAIGEI-STQMWFEESA-N 1 3 321.425 0.279 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480622709 1018715717 /nfs/dbraw/zinc/71/57/17/1018715717.db2.gz XEYUDYXVRLDJMD-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCn1ccc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001480658838 1018750229 /nfs/dbraw/zinc/75/02/29/1018750229.db2.gz JPQAOWXXFBPDGO-CQSZACIVSA-N 1 3 307.442 0.793 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1CCn1cncn1 ZINC001493148394 1019143470 /nfs/dbraw/zinc/14/34/70/1019143470.db2.gz IZKIUJDUOOSOPN-AWEZNQCLSA-N 1 3 308.430 0.201 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1CCn1cncn1 ZINC001493148394 1019143477 /nfs/dbraw/zinc/14/34/77/1019143477.db2.gz IZKIUJDUOOSOPN-AWEZNQCLSA-N 1 3 308.430 0.201 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496205985 1019161657 /nfs/dbraw/zinc/16/16/57/1019161657.db2.gz FMMJYBJJXYXBGG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001498559034 1019229185 /nfs/dbraw/zinc/22/91/85/1019229185.db2.gz ALEKOYUBMHMAGM-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)C23CC[NH+](CC2)C3)ncn1 ZINC001498641509 1019295724 /nfs/dbraw/zinc/29/57/24/1019295724.db2.gz FOYISXZZOBFURA-UHFFFAOYSA-N 1 3 317.437 0.819 20 0 DCADHO Cc1nnc(CN[C@@H](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001496449297 1019318470 /nfs/dbraw/zinc/31/84/70/1019318470.db2.gz OIQPMCGSWIKKDX-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001496587515 1019435745 /nfs/dbraw/zinc/43/57/45/1019435745.db2.gz ZVFOQNMMNHGJLN-STQMWFEESA-N 1 3 312.458 0.465 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(CCNC(=O)C2CC2)CC1 ZINC001502136026 1019754036 /nfs/dbraw/zinc/75/40/36/1019754036.db2.gz WJSWJIXUHDLSLR-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494056474 1019953359 /nfs/dbraw/zinc/95/33/59/1019953359.db2.gz WVSVUZUOXUFPQY-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001494056474 1019953361 /nfs/dbraw/zinc/95/33/61/1019953361.db2.gz WVSVUZUOXUFPQY-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000339646887 282252058 /nfs/dbraw/zinc/25/20/58/282252058.db2.gz LVDZLDYPUVOWPJ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CC[NH2+]CC1 ZINC000236814278 202021812 /nfs/dbraw/zinc/02/18/12/202021812.db2.gz PLBSFGZGESMANN-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCN(CCCNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236877729 202048121 /nfs/dbraw/zinc/04/81/21/202048121.db2.gz HNNKXBFFBWPYGU-UHFFFAOYSA-N 1 3 310.486 0.910 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000566288676 291291353 /nfs/dbraw/zinc/29/13/53/291291353.db2.gz LFHXTBGFSWURFZ-ZIAGYGMSSA-N 1 3 320.441 0.444 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCN1CCCO ZINC000457781993 241036945 /nfs/dbraw/zinc/03/69/45/241036945.db2.gz DIWWOMRRQMGDDW-GDBMZVCRSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCN1CCCO ZINC000457781993 241036948 /nfs/dbraw/zinc/03/69/48/241036948.db2.gz DIWWOMRRQMGDDW-GDBMZVCRSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H](N2CCCC2)C1 ZINC000567653475 291366923 /nfs/dbraw/zinc/36/69/23/291366923.db2.gz BRMFSNVXPIVLTN-QLFBSQMISA-N 1 3 320.437 0.036 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+](C)C ZINC000567845171 291384089 /nfs/dbraw/zinc/38/40/89/291384089.db2.gz MXACLIPDUVXMLS-KGLIPLIRSA-N 1 3 308.430 0.487 20 0 DCADHO CN1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2COCCN2)CC1 ZINC000573568376 291640613 /nfs/dbraw/zinc/64/06/13/291640613.db2.gz VWVVOMXLKAZWCS-CYBMUJFWSA-N 1 3 319.409 0.150 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104801078 194042084 /nfs/dbraw/zinc/04/20/84/194042084.db2.gz PWGZUHDLPAUTOC-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104801078 194042085 /nfs/dbraw/zinc/04/20/85/194042085.db2.gz PWGZUHDLPAUTOC-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339963842 253170473 /nfs/dbraw/zinc/17/04/73/253170473.db2.gz HZSQKDNTJIXPFZ-OAHLLOKOSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000340202462 253215963 /nfs/dbraw/zinc/21/59/63/253215963.db2.gz MGDJMAAWVPWXOW-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000340202462 253215965 /nfs/dbraw/zinc/21/59/65/253215965.db2.gz MGDJMAAWVPWXOW-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000340206319 253217044 /nfs/dbraw/zinc/21/70/44/253217044.db2.gz MRJXODHPBUAWAO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000340481788 253263098 /nfs/dbraw/zinc/26/30/98/253263098.db2.gz SUSNPIGCENIZFU-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000340481788 253263100 /nfs/dbraw/zinc/26/31/00/253263100.db2.gz SUSNPIGCENIZFU-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340510685 253269891 /nfs/dbraw/zinc/26/98/91/253269891.db2.gz PBOJBRGJOKPBCD-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340510685 253269893 /nfs/dbraw/zinc/26/98/93/253269893.db2.gz PBOJBRGJOKPBCD-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN(C)C1CC1)C[NH+]1CCCC1 ZINC000340802048 253305842 /nfs/dbraw/zinc/30/58/42/253305842.db2.gz SCBFDYVQZANVND-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](C)C1 ZINC000346146946 254016239 /nfs/dbraw/zinc/01/62/39/254016239.db2.gz WEBXBHROFWISSA-HZMVEIRTSA-N 1 3 320.481 0.565 20 0 DCADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](C)C1 ZINC000346146946 254016242 /nfs/dbraw/zinc/01/62/42/254016242.db2.gz WEBXBHROFWISSA-HZMVEIRTSA-N 1 3 320.481 0.565 20 0 DCADHO CCN(CCO)CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000347297442 254145649 /nfs/dbraw/zinc/14/56/49/254145649.db2.gz HBGCRQWTVAKPFI-UHFFFAOYSA-N 1 3 314.474 0.864 20 0 DCADHO CC[C@H](CNC(=O)C[N@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000347587845 254170093 /nfs/dbraw/zinc/17/00/93/254170093.db2.gz HPZXTYKBOWACPK-CQSZACIVSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000347587845 254170095 /nfs/dbraw/zinc/17/00/95/254170095.db2.gz HPZXTYKBOWACPK-CQSZACIVSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)NC(=O)C[N@H+](C)C(C)C ZINC000347587845 254170097 /nfs/dbraw/zinc/17/00/97/254170097.db2.gz HPZXTYKBOWACPK-CQSZACIVSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC000347587845 254170098 /nfs/dbraw/zinc/17/00/98/254170098.db2.gz HPZXTYKBOWACPK-CQSZACIVSA-N 1 3 314.474 0.678 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000349938943 254305429 /nfs/dbraw/zinc/30/54/29/254305429.db2.gz VKKRNZVPDTXTPD-OAHLLOKOSA-N 1 3 324.469 0.977 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351865048 254376357 /nfs/dbraw/zinc/37/63/57/254376357.db2.gz LSFMPXFONJZUKM-BDAKNGLRSA-N 1 3 310.320 0.434 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(=O)N(C)C ZINC000345213256 285275558 /nfs/dbraw/zinc/27/55/58/285275558.db2.gz IGWPTIZEHONFIS-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(=O)N(C)C ZINC000345213256 285275562 /nfs/dbraw/zinc/27/55/62/285275562.db2.gz IGWPTIZEHONFIS-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291942598 131610989 /nfs/dbraw/zinc/61/09/89/131610989.db2.gz WAFUBWPUWRKWHE-UHFFFAOYSA-N 1 3 323.441 0.773 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](O)C3)CC2)CC1 ZINC000051758377 395854111 /nfs/dbraw/zinc/85/41/11/395854111.db2.gz VHWKBCHNALPRCH-INIZCTEOSA-N 1 3 324.469 0.711 20 0 DCADHO COCC[NH2+]CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000237247789 395908761 /nfs/dbraw/zinc/90/87/61/395908761.db2.gz HNVRVOLKXXYOTR-UHFFFAOYSA-N 1 3 320.437 0.921 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000245682788 395933845 /nfs/dbraw/zinc/93/38/45/395933845.db2.gz PJECHBURTMYNEH-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000245682788 395933848 /nfs/dbraw/zinc/93/38/48/395933848.db2.gz PJECHBURTMYNEH-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000252851559 396024941 /nfs/dbraw/zinc/02/49/41/396024941.db2.gz IEJHHYTUFBSEPU-CBBWQLFWSA-N 1 3 315.483 0.717 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CCC[NH2+]CC1)c1ccccc1 ZINC000261837019 396071261 /nfs/dbraw/zinc/07/12/61/396071261.db2.gz CBYWIHOCTNHLTE-MRXNPFEDSA-N 1 3 304.438 0.701 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278933451 396141764 /nfs/dbraw/zinc/14/17/64/396141764.db2.gz FJWSNRFYGVBCFJ-OLZOCXBDSA-N 1 3 305.426 0.900 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278933455 396141950 /nfs/dbraw/zinc/14/19/50/396141950.db2.gz FJWSNRFYGVBCFJ-STQMWFEESA-N 1 3 305.426 0.900 20 0 DCADHO COCCN1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000278948685 396142776 /nfs/dbraw/zinc/14/27/76/396142776.db2.gz GYYPZKVJKDNYBF-LBPRGKRZSA-N 1 3 321.425 0.327 20 0 DCADHO O=C(CN1CCNCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000261888611 396075859 /nfs/dbraw/zinc/07/58/59/396075859.db2.gz VCRZRLZYNJMPFY-UHFFFAOYSA-N 1 3 316.449 0.804 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH2+]CC2)CC1=O ZINC000262503823 396148759 /nfs/dbraw/zinc/14/87/59/396148759.db2.gz IYHBYLMODVGOQB-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000074267264 396162682 /nfs/dbraw/zinc/16/26/82/396162682.db2.gz UILKYFLPGSYPHJ-GOEBONIOSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)COC[C@@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180926639 396235612 /nfs/dbraw/zinc/23/56/12/396235612.db2.gz RYYXQBCJKOUOSF-KRWDZBQOSA-N 1 3 315.502 0.978 20 0 DCADHO CC(C)COC[C@@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180926639 396235614 /nfs/dbraw/zinc/23/56/14/396235614.db2.gz RYYXQBCJKOUOSF-KRWDZBQOSA-N 1 3 315.502 0.978 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCCC[NH+]2CCCCC2)CC1=O ZINC000081230973 396295274 /nfs/dbraw/zinc/29/52/74/396295274.db2.gz KJWRXEVNZRAXHK-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](C[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000285866082 396358802 /nfs/dbraw/zinc/35/88/02/396358802.db2.gz BGMURUJDDYXTCO-CQSZACIVSA-N 1 3 305.426 0.305 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000580772453 396498165 /nfs/dbraw/zinc/49/81/65/396498165.db2.gz ATINSKNGTRIXSL-YRGRVCCFSA-N 1 3 318.425 0.243 20 0 DCADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000372355416 396510575 /nfs/dbraw/zinc/51/05/75/396510575.db2.gz IEESJTUJQBMLPY-OAHLLOKOSA-N 1 3 308.470 0.755 20 0 DCADHO N[C@@H](CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581249741 396537266 /nfs/dbraw/zinc/53/72/66/396537266.db2.gz GIGKYFAJGABGCO-CABCVRRESA-N 1 3 318.421 0.390 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(C2CC2)n(C)n1 ZINC000531118882 396589959 /nfs/dbraw/zinc/58/99/59/396589959.db2.gz HMRKQNVOAFXJPB-UHFFFAOYSA-N 1 3 307.442 0.863 20 0 DCADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000581884819 396590435 /nfs/dbraw/zinc/59/04/35/396590435.db2.gz ZUXARVLULSZVBD-ZIAGYGMSSA-N 1 3 302.802 0.387 20 0 DCADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(=O)NCC[NH+](C)C ZINC000560564290 396620766 /nfs/dbraw/zinc/62/07/66/396620766.db2.gz JYQDZBWTSMIWPR-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000561199176 396633510 /nfs/dbraw/zinc/63/35/10/396633510.db2.gz PMAUIBCSRAQHSY-ZIAGYGMSSA-N 1 3 312.458 0.785 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCN1CCOCC1 ZINC000374429951 396664385 /nfs/dbraw/zinc/66/43/85/396664385.db2.gz QPXCQCGWQQUSSO-IXDOHACOSA-N 1 3 311.470 0.892 20 0 DCADHO COC[C@@]1(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)CCC[NH2+]1 ZINC000562815045 396681262 /nfs/dbraw/zinc/68/12/62/396681262.db2.gz BKDCNJKJFVLTDH-SJORKVTESA-N 1 3 324.469 0.882 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375237720 396720202 /nfs/dbraw/zinc/72/02/02/396720202.db2.gz OXJWVLCCVZASHA-OAHLLOKOSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)(CNC[C@H](O)C[NH+]1CCCC1)C1(O)CCOCC1 ZINC000629580910 396798710 /nfs/dbraw/zinc/79/87/10/396798710.db2.gz YKVIZOHHULUCHT-AWEZNQCLSA-N 1 3 300.443 0.600 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629559081 396785753 /nfs/dbraw/zinc/78/57/53/396785753.db2.gz AKDNAKICSCWKPA-IAGOWNOFSA-N 1 3 312.502 0.306 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000563406047 396729734 /nfs/dbraw/zinc/72/97/34/396729734.db2.gz PWVKOKXHMZHRLO-CYBMUJFWSA-N 1 3 318.421 0.945 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000563946143 396797656 /nfs/dbraw/zinc/79/76/56/396797656.db2.gz FXCQVADGJYUWRJ-OAHLLOKOSA-N 1 3 313.490 0.511 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375970435 396854186 /nfs/dbraw/zinc/85/41/86/396854186.db2.gz WEYUGQHBQSQAGO-CVEARBPZSA-N 1 3 302.422 0.063 20 0 DCADHO CCN1CC[C@@H](N(C)C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1C ZINC000564800128 396870795 /nfs/dbraw/zinc/87/07/95/396870795.db2.gz CAAQKFMOVCEMML-ZIAGYGMSSA-N 1 3 322.457 0.962 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C ZINC000331721655 396876102 /nfs/dbraw/zinc/87/61/02/396876102.db2.gz TTYQSFXFRBCBAX-KBXIAJHMSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN1C ZINC000331721655 396876105 /nfs/dbraw/zinc/87/61/05/396876105.db2.gz TTYQSFXFRBCBAX-KBXIAJHMSA-N 1 3 322.453 0.328 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H]3CN)C2)CC1 ZINC000332219548 396882486 /nfs/dbraw/zinc/88/24/86/396882486.db2.gz XTXHMVFJACFJKA-HUUCEWRRSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C[C@@H]1C[NH3+] ZINC000332589113 396887351 /nfs/dbraw/zinc/88/73/51/396887351.db2.gz FNFYWOKKJZHHDM-KBXIAJHMSA-N 1 3 322.453 0.125 20 0 DCADHO CCOC(=O)C1([C@H](C)NCc2cnnn2CC)CC[NH2+]CC1 ZINC000600706339 396925987 /nfs/dbraw/zinc/92/59/87/396925987.db2.gz UXMQZXVAAYPVGH-LBPRGKRZSA-N 1 3 309.414 0.709 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000333677814 396929112 /nfs/dbraw/zinc/92/91/12/396929112.db2.gz OIHDTOFYUOQTLA-CABCVRRESA-N 1 3 310.442 0.635 20 0 DCADHO CO[C@@H]1CN(C(=O)c2cccc3c2CCNC3)[C@@](C)(C[NH3+])C1 ZINC000630374896 397001357 /nfs/dbraw/zinc/00/13/57/397001357.db2.gz KLFBSEFWTHWTHT-SUMWQHHRSA-N 1 3 303.406 0.911 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000347966735 397035845 /nfs/dbraw/zinc/03/58/45/397035845.db2.gz GTWKECOJFXEDBQ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC(C)C)CC2)C1 ZINC000349905794 397078018 /nfs/dbraw/zinc/07/80/18/397078018.db2.gz NKFDDZFIMVAUDR-HNNXBMFYSA-N 1 3 312.458 0.690 20 0 DCADHO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(CC(C)C)CC2)C1 ZINC000349905794 397078021 /nfs/dbraw/zinc/07/80/21/397078021.db2.gz NKFDDZFIMVAUDR-HNNXBMFYSA-N 1 3 312.458 0.690 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000572638868 397080365 /nfs/dbraw/zinc/08/03/65/397080365.db2.gz DNBWXWMAUJASNN-QWHCGFSZSA-N 1 3 323.441 0.947 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000612543385 397086895 /nfs/dbraw/zinc/08/68/95/397086895.db2.gz PRATXSLHSLZZQB-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000612543385 397086897 /nfs/dbraw/zinc/08/68/97/397086897.db2.gz PRATXSLHSLZZQB-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000612547420 397090937 /nfs/dbraw/zinc/09/09/37/397090937.db2.gz CXIBCHASFXNFKC-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000601306962 397050066 /nfs/dbraw/zinc/05/00/66/397050066.db2.gz JBZLMADFAYKVHC-AWEZNQCLSA-N 1 3 300.447 0.737 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CC3([NH3+])CCC3)C2)CC1 ZINC000592219608 397134693 /nfs/dbraw/zinc/13/46/93/397134693.db2.gz PZJHFIAFPLGFCJ-OAHLLOKOSA-N 1 3 308.470 0.885 20 0 DCADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[N@H+](C)CC)C12CCOCC2 ZINC000574769269 397298476 /nfs/dbraw/zinc/29/84/76/397298476.db2.gz VHZRVWYUYPEVMC-RRFJBIMHSA-N 1 3 300.443 0.863 20 0 DCADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[N@@H+](C)CC)C12CCOCC2 ZINC000574769269 397298480 /nfs/dbraw/zinc/29/84/80/397298480.db2.gz VHZRVWYUYPEVMC-RRFJBIMHSA-N 1 3 300.443 0.863 20 0 DCADHO COCCCN(C)CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592965876 397307519 /nfs/dbraw/zinc/30/75/19/397307519.db2.gz UQOGCDUQPHSWTH-CYBMUJFWSA-N 1 3 323.441 0.417 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000613957817 397352375 /nfs/dbraw/zinc/35/23/75/397352375.db2.gz TXNRSSNLOSRYDZ-AAVRWANBSA-N 1 3 314.474 0.676 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000365872250 397327861 /nfs/dbraw/zinc/32/78/61/397327861.db2.gz UUHCQIOITBVUBW-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471633384 397448599 /nfs/dbraw/zinc/44/85/99/397448599.db2.gz FWLNJAGUJMURMW-HUUCEWRRSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471633384 397448603 /nfs/dbraw/zinc/44/86/03/397448603.db2.gz FWLNJAGUJMURMW-HUUCEWRRSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000479271090 397458748 /nfs/dbraw/zinc/45/87/48/397458748.db2.gz OQGAGVOVHBZBPQ-DTZQCDIJSA-N 1 3 303.406 0.661 20 0 DCADHO C[NH+](C)C/C=C/C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000371292216 397569153 /nfs/dbraw/zinc/56/91/53/397569153.db2.gz OPFVYNOJZMXLLV-ICHOQEBTSA-N 1 3 317.433 0.856 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000579737552 397591790 /nfs/dbraw/zinc/59/17/90/397591790.db2.gz NRULDYUEFFIYRM-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCC[NH2+]3)C2)CC1 ZINC000579957512 397600381 /nfs/dbraw/zinc/60/03/81/397600381.db2.gz CNDAMIVYMRTQDR-WBVHZDCISA-N 1 3 308.470 0.755 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606667939 397685527 /nfs/dbraw/zinc/68/55/27/397685527.db2.gz YPTDDQCSEWBNQZ-CYBMUJFWSA-N 1 3 300.447 0.594 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000333751816 286093424 /nfs/dbraw/zinc/09/34/24/286093424.db2.gz ZDWUAWKYPWCWEB-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089427453 158097470 /nfs/dbraw/zinc/09/74/70/158097470.db2.gz NWXULHKEHIAZDS-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089427453 158097472 /nfs/dbraw/zinc/09/74/72/158097472.db2.gz NWXULHKEHIAZDS-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H](CC(=O)NCCCN1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000165003327 158363315 /nfs/dbraw/zinc/36/33/15/158363315.db2.gz AVWHRPCNHQZKQZ-LSDHHAIUSA-N 1 3 311.470 0.975 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000167406683 158368040 /nfs/dbraw/zinc/36/80/40/158368040.db2.gz MSOBMEVMMKDYLB-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN1CCN(CCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000316466986 159002905 /nfs/dbraw/zinc/00/29/05/159002905.db2.gz IEXQUGZOQDTEBL-MQVJKMGUSA-N 1 3 308.470 0.661 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000133240487 287009588 /nfs/dbraw/zinc/00/95/88/287009588.db2.gz JMDSNMPHVHZQIN-OAHLLOKOSA-N 1 3 300.447 0.690 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000419023076 287262422 /nfs/dbraw/zinc/26/24/22/287262422.db2.gz IZQUPHPFCQJGIS-LXTVHRRPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419024327 287263217 /nfs/dbraw/zinc/26/32/17/287263217.db2.gz KNKVLWQPNCGAJW-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000419243455 287277452 /nfs/dbraw/zinc/27/74/52/287277452.db2.gz UGWZZGQYZSBIPN-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+]C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000420291827 287286032 /nfs/dbraw/zinc/28/60/32/287286032.db2.gz LCMNMHQNMUJSPK-RDJZCZTQSA-N 1 3 318.465 0.947 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000420294466 287286606 /nfs/dbraw/zinc/28/66/06/287286606.db2.gz SVLUHKJFXZZEAT-HZPDHXFCSA-N 1 3 304.438 0.829 20 0 DCADHO COC(=O)CC1(CN2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000420318048 287290040 /nfs/dbraw/zinc/29/00/40/287290040.db2.gz VMGXJFXPBNETHA-ZDUSSCGKSA-N 1 3 311.426 0.649 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335032 287290873 /nfs/dbraw/zinc/29/08/73/287290873.db2.gz HDDDQHABQBWION-QXSJWSMHSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331624681 415157819 /nfs/dbraw/zinc/15/78/19/415157819.db2.gz YHFGXARXTUTPPI-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000420444540 287298423 /nfs/dbraw/zinc/29/84/23/287298423.db2.gz RTZLYUIOLXDYLI-VHSXEESVSA-N 1 3 317.459 0.076 20 0 DCADHO C[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000332038819 415215805 /nfs/dbraw/zinc/21/58/05/415215805.db2.gz TXBKXMCYCQOWHY-QLFBSQMISA-N 1 3 312.458 0.866 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000332111743 415251590 /nfs/dbraw/zinc/25/15/90/415251590.db2.gz AAVRECPHLHBUMS-YJNKXOJESA-N 1 3 322.453 0.125 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000342763706 415286956 /nfs/dbraw/zinc/28/69/56/415286956.db2.gz DHUDWUGYVRWDRK-QWHCGFSZSA-N 1 3 313.442 0.894 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000342763706 415286963 /nfs/dbraw/zinc/28/69/63/415286963.db2.gz DHUDWUGYVRWDRK-QWHCGFSZSA-N 1 3 313.442 0.894 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NCCN(C)C2CC2)CC1 ZINC000352730659 415293029 /nfs/dbraw/zinc/29/30/29/415293029.db2.gz JMIQMNHVUCSGER-OAHLLOKOSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000332269042 415323886 /nfs/dbraw/zinc/32/38/86/415323886.db2.gz BYKOIEGEBKEICJ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000332269042 415323889 /nfs/dbraw/zinc/32/38/89/415323889.db2.gz BYKOIEGEBKEICJ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332303345 415336655 /nfs/dbraw/zinc/33/66/55/415336655.db2.gz IDHXHXRZONWGBM-RBSFLKMASA-N 1 3 322.453 0.459 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000332668202 415429722 /nfs/dbraw/zinc/42/97/22/415429722.db2.gz YVWDCPZXFJBZCH-QLFBSQMISA-N 1 3 322.453 0.269 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000343212809 415506143 /nfs/dbraw/zinc/50/61/43/415506143.db2.gz SNMWETJCIBCLCO-MRXNPFEDSA-N 1 3 322.497 0.910 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000353456277 415551022 /nfs/dbraw/zinc/55/10/22/415551022.db2.gz ZCGFRKQTCUHJTH-PMPSAXMXSA-N 1 3 310.486 0.763 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CN1C1CC1 ZINC000333127256 415564619 /nfs/dbraw/zinc/56/46/19/415564619.db2.gz BGNRUFRSLJCIQA-IJEWVQPXSA-N 1 3 321.469 0.301 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333143515 415569615 /nfs/dbraw/zinc/56/96/15/415569615.db2.gz DJRPRGRQLAFKPU-AWEZNQCLSA-N 1 3 310.442 0.348 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333143515 415569619 /nfs/dbraw/zinc/56/96/19/415569619.db2.gz DJRPRGRQLAFKPU-AWEZNQCLSA-N 1 3 310.442 0.348 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]1 ZINC000333156320 415572984 /nfs/dbraw/zinc/57/29/84/415572984.db2.gz FSOWBONAYRYTLC-BZPMIXESSA-N 1 3 300.472 0.863 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C2CC[NH2+]CC2)CC1 ZINC000353643506 415612365 /nfs/dbraw/zinc/61/23/65/415612365.db2.gz OVZCXTDNUFNXTK-UHFFFAOYSA-N 1 3 311.426 0.377 20 0 DCADHO CCN(CC)[C@H]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343765013 415715024 /nfs/dbraw/zinc/71/50/24/415715024.db2.gz ALDHLYIVBLLEND-DKUMPPAJSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333847055 415749272 /nfs/dbraw/zinc/74/92/72/415749272.db2.gz WLIHGNBHBNBOFA-KGLIPLIRSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333847055 415749279 /nfs/dbraw/zinc/74/92/79/415749279.db2.gz WLIHGNBHBNBOFA-KGLIPLIRSA-N 1 3 310.442 0.491 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000120290919 415763844 /nfs/dbraw/zinc/76/38/44/415763844.db2.gz HYBIIGLZSPJASB-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000120290919 415763846 /nfs/dbraw/zinc/76/38/46/415763846.db2.gz HYBIIGLZSPJASB-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C1 ZINC000333923716 415764863 /nfs/dbraw/zinc/76/48/63/415764863.db2.gz SMXWSXBMATXZBG-SUJAAXHWSA-N 1 3 324.469 0.735 20 0 DCADHO C[C@@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)CN(C)C ZINC000425938941 287319733 /nfs/dbraw/zinc/31/97/33/287319733.db2.gz RSWHHZBONHOQHN-INIZCTEOSA-N 1 3 312.502 0.570 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000126369395 415873810 /nfs/dbraw/zinc/87/38/10/415873810.db2.gz BPZFBGNTXLLNSS-ZFWWWQNUSA-N 1 3 300.447 0.473 20 0 DCADHO CCN1C[C@@H](C)[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000344353639 415896771 /nfs/dbraw/zinc/89/67/71/415896771.db2.gz SPBSFBVMQJDLJN-IAGOWNOFSA-N 1 3 312.502 0.306 20 0 DCADHO CN(C)CC[N@H+](C)CCCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000356534237 415944776 /nfs/dbraw/zinc/94/47/76/415944776.db2.gz WDLJJHVECAOIQV-CQSZACIVSA-N 1 3 316.515 0.423 20 0 DCADHO CN(C)CC[N@@H+](C)CCCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000356534237 415944781 /nfs/dbraw/zinc/94/47/81/415944781.db2.gz WDLJJHVECAOIQV-CQSZACIVSA-N 1 3 316.515 0.423 20 0 DCADHO CN(CCCNC(=O)CN(C)[C@@H]1CCSC1)CC[NH+](C)C ZINC000356534237 415944786 /nfs/dbraw/zinc/94/47/86/415944786.db2.gz WDLJJHVECAOIQV-CQSZACIVSA-N 1 3 316.515 0.423 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345098554 416043782 /nfs/dbraw/zinc/04/37/82/416043782.db2.gz NWIHTBIZVLOEOH-CVEARBPZSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CC[C@@H]([N@H+](C)CCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000338305900 416074764 /nfs/dbraw/zinc/07/47/64/416074764.db2.gz NHNWXGRJAHERAA-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CC[C@@H]([N@@H+](C)CCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000338305900 416074767 /nfs/dbraw/zinc/07/47/67/416074767.db2.gz NHNWXGRJAHERAA-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000338305900 416074771 /nfs/dbraw/zinc/07/47/71/416074771.db2.gz NHNWXGRJAHERAA-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCN(C)CC2)C[C@H]1C ZINC000338305900 416074772 /nfs/dbraw/zinc/07/47/72/416074772.db2.gz NHNWXGRJAHERAA-HZPDHXFCSA-N 1 3 310.486 0.955 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174232316 416075328 /nfs/dbraw/zinc/07/53/28/416075328.db2.gz MNGMMTSEKBFJPL-HNNXBMFYSA-N 1 3 312.458 0.692 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccsc1 ZINC000164902489 416018765 /nfs/dbraw/zinc/01/87/65/416018765.db2.gz YCGJEAFUBPILEM-MJBXVCDLSA-N 1 3 311.451 0.970 20 0 DCADHO CC(C)c1nc(CN(C)[C@H]2CCN(CCOCC[NH3+])C2)no1 ZINC000357074622 416030424 /nfs/dbraw/zinc/03/04/24/416030424.db2.gz MZJQXMYBOIHMBY-ZDUSSCGKSA-N 1 3 311.430 0.674 20 0 DCADHO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CN2CCN1CCC2 ZINC000357075438 416031261 /nfs/dbraw/zinc/03/12/61/416031261.db2.gz FPMXKTLGVIEDRR-INIZCTEOSA-N 1 3 308.470 0.759 20 0 DCADHO CC1(C)NC(=O)N(CCN2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000357090099 416031736 /nfs/dbraw/zinc/03/17/36/416031736.db2.gz QXTHJYZJAWBIJC-ZDUSSCGKSA-N 1 3 308.426 0.638 20 0 DCADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000357927382 416154073 /nfs/dbraw/zinc/15/40/73/416154073.db2.gz QUMHKDAHWAVAEZ-ZIAGYGMSSA-N 1 3 320.393 0.238 20 0 DCADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000340274441 416182713 /nfs/dbraw/zinc/18/27/13/416182713.db2.gz CCIOJYZWQZXPPR-WTTBNOFXSA-N 1 3 312.454 0.957 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000346524750 416196602 /nfs/dbraw/zinc/19/66/02/416196602.db2.gz GJBVSMLJMRYAFI-UKRRQHHQSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000346524750 416196604 /nfs/dbraw/zinc/19/66/04/416196604.db2.gz GJBVSMLJMRYAFI-UKRRQHHQSA-N 1 3 324.469 0.384 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000358149240 416202272 /nfs/dbraw/zinc/20/22/72/416202272.db2.gz YOTRVJUKGAFGLU-UHFFFAOYSA-N 1 3 304.438 0.855 20 0 DCADHO CC[NH+](CC)CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182172658 416215156 /nfs/dbraw/zinc/21/51/56/416215156.db2.gz FMZRWPKVAJJULD-UHFFFAOYSA-N 1 3 313.490 0.607 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000358501808 416244788 /nfs/dbraw/zinc/24/47/88/416244788.db2.gz OJJYFLZMGTUEEH-SOUVJXGZSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358505626 416246386 /nfs/dbraw/zinc/24/63/86/416246386.db2.gz KUDBHGFZKQYMCD-ZIAGYGMSSA-N 1 3 322.453 0.174 20 0 DCADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC2(C1)CC[NH2+]CC2 ZINC000358518674 416249105 /nfs/dbraw/zinc/24/91/05/416249105.db2.gz RBSBWDRXVDOXFS-UHFFFAOYSA-N 1 3 320.437 0.927 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000358531053 416251796 /nfs/dbraw/zinc/25/17/96/416251796.db2.gz UGMUHAQBADNYIO-HLLBOEOZSA-N 1 3 313.486 0.730 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000358681079 416266502 /nfs/dbraw/zinc/26/65/02/416266502.db2.gz PVPZZKJNBKOWLK-MRXNPFEDSA-N 1 3 312.458 0.473 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342041324 416272552 /nfs/dbraw/zinc/27/25/52/416272552.db2.gz PMHPNOZQOYTYLV-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342041324 416272556 /nfs/dbraw/zinc/27/25/56/416272556.db2.gz PMHPNOZQOYTYLV-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)Cc1ccccc1 ZINC000358718369 416273880 /nfs/dbraw/zinc/27/38/80/416273880.db2.gz KHIXNUDQOATLFR-KRWDZBQOSA-N 1 3 320.437 0.484 20 0 DCADHO CN(CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)Cc1ccccc1 ZINC000358718369 416273884 /nfs/dbraw/zinc/27/38/84/416273884.db2.gz KHIXNUDQOATLFR-KRWDZBQOSA-N 1 3 320.437 0.484 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)C[C@@H]21 ZINC000342121692 416284562 /nfs/dbraw/zinc/28/45/62/416284562.db2.gz IUGYXQLJSCCPQL-XOKHGSTOSA-N 1 3 320.481 0.789 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000358861486 416286454 /nfs/dbraw/zinc/28/64/54/416286454.db2.gz RYOXLQNAZUSZEQ-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000358861489 416287610 /nfs/dbraw/zinc/28/76/10/416287610.db2.gz RYOXLQNAZUSZEQ-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000192126590 416299738 /nfs/dbraw/zinc/29/97/38/416299738.db2.gz MUEXZIFHGZXSEP-KBPBESRZSA-N 1 3 307.442 0.789 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000263234919 416337355 /nfs/dbraw/zinc/33/73/55/416337355.db2.gz JCQQNSWASPYRRY-HOCLYGCPSA-N 1 3 324.469 0.276 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000263234919 416337356 /nfs/dbraw/zinc/33/73/56/416337356.db2.gz JCQQNSWASPYRRY-HOCLYGCPSA-N 1 3 324.469 0.276 20 0 DCADHO CN(C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CNC1 ZINC000415747287 416352820 /nfs/dbraw/zinc/35/28/20/416352820.db2.gz VCOYJALVGUXVSX-UHFFFAOYSA-N 1 3 304.394 0.159 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000416818525 416378191 /nfs/dbraw/zinc/37/81/91/416378191.db2.gz ZRZMTEDZYIZENN-HOTGVXAUSA-N 1 3 319.453 0.492 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CNCCO1)C(C)(C)C ZINC000417683224 416384041 /nfs/dbraw/zinc/38/40/41/416384041.db2.gz UPQHUTWGQRXVHH-QWHCGFSZSA-N 1 3 300.447 0.640 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000418450320 416386973 /nfs/dbraw/zinc/38/69/73/416386973.db2.gz LMXRQUHVLKKVTG-VFSICIBPSA-N 1 3 324.469 0.661 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000360416300 416388721 /nfs/dbraw/zinc/38/87/21/416388721.db2.gz GBWWOCXJVDPZQF-JKSUJKDBSA-N 1 3 318.469 0.528 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000360416300 416388723 /nfs/dbraw/zinc/38/87/23/416388723.db2.gz GBWWOCXJVDPZQF-JKSUJKDBSA-N 1 3 318.469 0.528 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NCC[NH2+]C)c1ccccc1 ZINC000418867058 416392286 /nfs/dbraw/zinc/39/22/86/416392286.db2.gz UFYZGJPCVUXQCZ-HNNXBMFYSA-N 1 3 320.437 0.521 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419413209 416401072 /nfs/dbraw/zinc/40/10/72/416401072.db2.gz DDRXCXDLKPCMFM-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419413209 416401073 /nfs/dbraw/zinc/40/10/73/416401073.db2.gz DDRXCXDLKPCMFM-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000419416001 416401810 /nfs/dbraw/zinc/40/18/10/416401810.db2.gz VPQFFUZEYZEVAB-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CN(Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC[NH3+])C1CC1 ZINC000419760137 416408900 /nfs/dbraw/zinc/40/89/00/416408900.db2.gz HVZXSYZSXHFHLB-OAHLLOKOSA-N 1 3 318.421 0.088 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000423067186 416466225 /nfs/dbraw/zinc/46/62/25/416466225.db2.gz YUOIJHXRRFWWRM-CQSZACIVSA-N 1 3 312.458 0.101 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423118789 416468669 /nfs/dbraw/zinc/46/86/69/416468669.db2.gz AFYMJYVERGEIPH-CYBMUJFWSA-N 1 3 312.458 0.230 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000361718232 416482887 /nfs/dbraw/zinc/48/28/87/416482887.db2.gz LZWLUDURAGWXNJ-HIFRSBDPSA-N 1 3 301.406 0.647 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC000361111813 416421417 /nfs/dbraw/zinc/42/14/17/416421417.db2.gz SJKZNXWIWOZGMT-HZPDHXFCSA-N 1 3 308.470 0.518 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CN1C1CC1 ZINC000422410456 416429599 /nfs/dbraw/zinc/42/95/99/416429599.db2.gz GDNCYOKVTWVIJE-UMVBOHGHSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CN1C1CC1 ZINC000422410456 416429600 /nfs/dbraw/zinc/42/96/00/416429600.db2.gz GDNCYOKVTWVIJE-UMVBOHGHSA-N 1 3 322.453 0.280 20 0 DCADHO CN(CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435613726 416528347 /nfs/dbraw/zinc/52/83/47/416528347.db2.gz CMYNBTHRVLYCJA-OAHLLOKOSA-N 1 3 308.470 0.803 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000423717612 416545737 /nfs/dbraw/zinc/54/57/37/416545737.db2.gz BDRRRQKSXXCTQC-RRFJBIMHSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000423745348 416555773 /nfs/dbraw/zinc/55/57/73/416555773.db2.gz MHVKLRCHIDUORX-KGLIPLIRSA-N 1 3 315.483 0.651 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423420080 416507812 /nfs/dbraw/zinc/50/78/12/416507812.db2.gz ATAIRGXTKFGHQX-GJZGRUSLSA-N 1 3 310.486 0.907 20 0 DCADHO COCCCN(C)CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423416582 416508257 /nfs/dbraw/zinc/50/82/57/416508257.db2.gz CWWLCJKIUCSUFU-OAHLLOKOSA-N 1 3 323.441 0.506 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000423427736 416508770 /nfs/dbraw/zinc/50/87/70/416508770.db2.gz JOYHENYXJHKWDV-CABCVRRESA-N 1 3 310.486 0.764 20 0 DCADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000424143823 416615338 /nfs/dbraw/zinc/61/53/38/416615338.db2.gz GJDQHQDNMOTMBJ-MELADBBJSA-N 1 3 316.405 0.670 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000441671119 416679344 /nfs/dbraw/zinc/67/93/44/416679344.db2.gz SLQXZLMUTSWCRK-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424138373 416616839 /nfs/dbraw/zinc/61/68/39/416616839.db2.gz QCGSXBAEYCRSEN-QWHCGFSZSA-N 1 3 306.414 0.417 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000424457526 416647799 /nfs/dbraw/zinc/64/77/99/416647799.db2.gz RMFWLBWHYHPYAF-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO COCC[N@H+](C)C[C@H](O)Cn1cc(CNC2CCCC2)nn1 ZINC000641224622 416742604 /nfs/dbraw/zinc/74/26/04/416742604.db2.gz WMKHEOSBNNISFM-HNNXBMFYSA-N 1 3 311.430 0.249 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)Cn1cc(CNC2CCCC2)nn1 ZINC000641224622 416742606 /nfs/dbraw/zinc/74/26/06/416742606.db2.gz WMKHEOSBNNISFM-HNNXBMFYSA-N 1 3 311.430 0.249 20 0 DCADHO O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)NC1C[NH2+]C1 ZINC000515002320 416687684 /nfs/dbraw/zinc/68/76/84/416687684.db2.gz LINMBWYXMHAPMB-UHFFFAOYSA-N 1 3 316.405 0.699 20 0 DCADHO N[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)c1ccccc1 ZINC000516059568 416712317 /nfs/dbraw/zinc/71/23/17/416712317.db2.gz MBVYVUYSTXCTNB-ZDUSSCGKSA-N 1 3 302.382 0.447 20 0 DCADHO CN(C)[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000557137714 416725478 /nfs/dbraw/zinc/72/54/78/416725478.db2.gz DGAAWVRNSWIVEF-HZPDHXFCSA-N 1 3 319.453 0.574 20 0 DCADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@H](CC[NH3+])C1 ZINC000443064314 416729514 /nfs/dbraw/zinc/72/95/14/416729514.db2.gz XXSKDNUWWDQQFM-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(COCC[NH3+])nn1 ZINC000641215404 416738223 /nfs/dbraw/zinc/73/82/23/416738223.db2.gz ULMNGYMFTNGXBJ-INIZCTEOSA-N 1 3 319.409 0.246 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCN1CCCC1 ZINC000631905093 416789238 /nfs/dbraw/zinc/78/92/38/416789238.db2.gz FSPBOIOCHQFUDB-UONOGXRCSA-N 1 3 303.472 0.909 20 0 DCADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC[NH2+]1 ZINC000444175122 416814438 /nfs/dbraw/zinc/81/44/38/416814438.db2.gz IQCAUMIGULMDLE-MRXNPFEDSA-N 1 3 303.406 0.621 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000631940719 416819687 /nfs/dbraw/zinc/81/96/87/416819687.db2.gz FJSZATOAYXHEOP-KGLIPLIRSA-N 1 3 319.471 0.096 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444264964 416822312 /nfs/dbraw/zinc/82/23/12/416822312.db2.gz KMIXGJHBZZDDSJ-WBVHZDCISA-N 1 3 308.470 0.520 20 0 DCADHO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632046764 416882850 /nfs/dbraw/zinc/88/28/50/416882850.db2.gz TVNCGDMRSZCBEL-AWEZNQCLSA-N 1 3 305.488 0.932 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000519591756 416919817 /nfs/dbraw/zinc/91/98/17/416919817.db2.gz SZPQFHOKCAGORF-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C1CC1 ZINC000446283796 416921158 /nfs/dbraw/zinc/92/11/58/416921158.db2.gz XICOTXQOWLOYSM-VMUDFCTBSA-N 1 3 309.454 0.975 20 0 DCADHO COC1(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000428866304 416929239 /nfs/dbraw/zinc/92/92/39/416929239.db2.gz JGMWTNQIMRXOEI-CQSZACIVSA-N 1 3 313.442 0.359 20 0 DCADHO COC1(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000428866304 416929246 /nfs/dbraw/zinc/92/92/46/416929246.db2.gz JGMWTNQIMRXOEI-CQSZACIVSA-N 1 3 313.442 0.359 20 0 DCADHO COC1(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000428866304 416929254 /nfs/dbraw/zinc/92/92/54/416929254.db2.gz JGMWTNQIMRXOEI-CQSZACIVSA-N 1 3 313.442 0.359 20 0 DCADHO CN1CCN(c2cc[nH+]cc2NC(=O)CC(F)(F)CN)CC1 ZINC000565150875 416929907 /nfs/dbraw/zinc/92/99/07/416929907.db2.gz IRRUGFJJBLMYEK-UHFFFAOYSA-N 1 3 313.352 0.756 20 0 DCADHO CN1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H](CN)C1 ZINC000641880834 417016172 /nfs/dbraw/zinc/01/61/72/417016172.db2.gz AMKRUQPFYXSQSE-HOTGVXAUSA-N 1 3 319.453 0.751 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(=O)NC)CC2)CC1 ZINC000565900320 417030589 /nfs/dbraw/zinc/03/05/89/417030589.db2.gz JFJVDBAFWCBPNB-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000521005266 416986770 /nfs/dbraw/zinc/98/67/70/416986770.db2.gz TUEPKDJKVHQBBM-HUUCEWRRSA-N 1 3 311.474 0.406 20 0 DCADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637103736 416987826 /nfs/dbraw/zinc/98/78/26/416987826.db2.gz ONNCMCJSIFLVSA-ZIAGYGMSSA-N 1 3 312.458 0.473 20 0 DCADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637103736 416987829 /nfs/dbraw/zinc/98/78/29/416987829.db2.gz ONNCMCJSIFLVSA-ZIAGYGMSSA-N 1 3 312.458 0.473 20 0 DCADHO COC[C@]1(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000641800411 417003340 /nfs/dbraw/zinc/00/33/40/417003340.db2.gz JBCPWIBAQYHNFN-GDBMZVCRSA-N 1 3 312.458 0.738 20 0 DCADHO COC[C@@]1(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000641800416 417004859 /nfs/dbraw/zinc/00/48/59/417004859.db2.gz JBCPWIBAQYHNFN-ZBFHGGJFSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000642785708 417096618 /nfs/dbraw/zinc/09/66/18/417096618.db2.gz DUGQXFBDBCOSJX-SWLSCSKDSA-N 1 3 322.453 0.173 20 0 DCADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC2(CC[NH2+]C2)CC1 ZINC000431024011 417098260 /nfs/dbraw/zinc/09/82/60/417098260.db2.gz UILALTAHROHVFB-UHFFFAOYSA-N 1 3 320.437 0.927 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642330377 417043883 /nfs/dbraw/zinc/04/38/83/417043883.db2.gz BRCSKDVGMJZVAU-MJBXVCDLSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000642439638 417052136 /nfs/dbraw/zinc/05/21/36/417052136.db2.gz MLJFUNSDRXZETM-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000642439330 417052170 /nfs/dbraw/zinc/05/21/70/417052170.db2.gz BTFHTJAIBCYZQJ-MJBXVCDLSA-N 1 3 310.442 0.221 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000637257796 417052219 /nfs/dbraw/zinc/05/22/19/417052219.db2.gz AKNFZSYIQBBYDJ-KKUMJFAQSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000637257796 417052224 /nfs/dbraw/zinc/05/22/24/417052224.db2.gz AKNFZSYIQBBYDJ-KKUMJFAQSA-N 1 3 310.442 0.369 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000642439475 417052474 /nfs/dbraw/zinc/05/24/74/417052474.db2.gz IKWHPELBJDPECI-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642439282 417053313 /nfs/dbraw/zinc/05/33/13/417053313.db2.gz AFCKZTNNQILVSA-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000642440211 417056101 /nfs/dbraw/zinc/05/61/01/417056101.db2.gz ZKHKDTSFLOZHAP-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430685928 417060053 /nfs/dbraw/zinc/06/00/53/417060053.db2.gz TUUSFULIOCDNDA-CYBMUJFWSA-N 1 3 320.441 0.616 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000430937310 417082442 /nfs/dbraw/zinc/08/24/42/417082442.db2.gz AUWVDVRGBNNSRG-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642732146 417084949 /nfs/dbraw/zinc/08/49/49/417084949.db2.gz HOSFNYDYQDYTDT-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642755836 417089808 /nfs/dbraw/zinc/08/98/08/417089808.db2.gz CDWCZKCXWFLKRK-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000642773262 417094966 /nfs/dbraw/zinc/09/49/66/417094966.db2.gz GIPQFLWYIQMHPV-BZPMIXESSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000568240723 417107613 /nfs/dbraw/zinc/10/76/13/417107613.db2.gz YSVIIRUUBOHLPQ-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H](CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000402981958 417114799 /nfs/dbraw/zinc/11/47/99/417114799.db2.gz ILIBMELYNQLPIY-KKUMJFAQSA-N 1 3 315.483 0.719 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000402981958 417114807 /nfs/dbraw/zinc/11/48/07/417114807.db2.gz ILIBMELYNQLPIY-KKUMJFAQSA-N 1 3 315.483 0.719 20 0 DCADHO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000402981958 417114815 /nfs/dbraw/zinc/11/48/15/417114815.db2.gz ILIBMELYNQLPIY-KKUMJFAQSA-N 1 3 315.483 0.719 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000642905836 417115547 /nfs/dbraw/zinc/11/55/47/417115547.db2.gz VHERMEODYMUPKW-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000642911701 417122118 /nfs/dbraw/zinc/12/21/18/417122118.db2.gz SLFAMSZWEBUJJT-YJNKXOJESA-N 1 3 322.453 0.458 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000642950358 417128895 /nfs/dbraw/zinc/12/88/95/417128895.db2.gz GZTOUHQKQMLFBS-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919363 417126005 /nfs/dbraw/zinc/12/60/05/417126005.db2.gz XZRBNKNSIZGJDV-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000642988259 417138147 /nfs/dbraw/zinc/13/81/47/417138147.db2.gz SFIZTWSJJUYSQF-KGLIPLIRSA-N 1 3 312.458 0.609 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449310317 417135902 /nfs/dbraw/zinc/13/59/02/417135902.db2.gz GKWYVTXESGNMFU-CHWSQXEVSA-N 1 3 306.414 0.244 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642981209 417136094 /nfs/dbraw/zinc/13/60/94/417136094.db2.gz WNQFXAMVWQLMCZ-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(N[C@H]1CCC[NH2+]CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642981315 417136192 /nfs/dbraw/zinc/13/61/92/417136192.db2.gz YIOYIJHULZYNRN-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CN(CCC[NH3+])C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000568654294 417162634 /nfs/dbraw/zinc/16/26/34/417162634.db2.gz CGDPANQFULXJIK-MRXNPFEDSA-N 1 3 320.437 0.743 20 0 DCADHO C=Cn1cc(C[NH2+]CCCCN2CCN(CCO)CC2)cn1 ZINC000568948740 417196861 /nfs/dbraw/zinc/19/68/61/417196861.db2.gz GWYRTKCWGDZLRZ-UHFFFAOYSA-N 1 3 307.442 0.463 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000637829717 417198196 /nfs/dbraw/zinc/19/81/96/417198196.db2.gz QQVASVBBNOECJV-AWEZNQCLSA-N 1 3 315.458 0.557 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000637834207 417201228 /nfs/dbraw/zinc/20/12/28/417201228.db2.gz AKBFCZMCHXNGEW-HZPDHXFCSA-N 1 3 304.438 0.514 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637840733 417202035 /nfs/dbraw/zinc/20/20/35/417202035.db2.gz HVWRYBBOPGPPHW-RDJZCZTQSA-N 1 3 304.438 0.689 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000410434192 417165166 /nfs/dbraw/zinc/16/51/66/417165166.db2.gz NQMLCFZKQBHTSS-KRWDZBQOSA-N 1 3 322.453 0.095 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000410434192 417165172 /nfs/dbraw/zinc/16/51/72/417165172.db2.gz NQMLCFZKQBHTSS-KRWDZBQOSA-N 1 3 322.453 0.095 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000627229457 417289138 /nfs/dbraw/zinc/28/91/38/417289138.db2.gz RUIVZTCLXRNHBY-KBPBESRZSA-N 1 3 321.429 0.048 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000643545347 417240212 /nfs/dbraw/zinc/24/02/12/417240212.db2.gz DNKFQUKLJCOENE-BARDWOONSA-N 1 3 322.453 0.267 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC[C@H]1[NH3+] ZINC000643558432 417245923 /nfs/dbraw/zinc/24/59/23/417245923.db2.gz JRAVYGGZOHMGRG-RBSFLKMASA-N 1 3 324.469 0.513 20 0 DCADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H]1CN1CCCC1 ZINC000633083645 417348658 /nfs/dbraw/zinc/34/86/58/417348658.db2.gz DBKSNDJXWAHPHV-QLFBSQMISA-N 1 3 320.437 0.036 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C2 ZINC000570451653 417354787 /nfs/dbraw/zinc/35/47/87/417354787.db2.gz QVJUAXUTKPAJNK-DZGCQCFKSA-N 1 3 322.453 0.086 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)C2 ZINC000570451653 417354794 /nfs/dbraw/zinc/35/47/94/417354794.db2.gz QVJUAXUTKPAJNK-DZGCQCFKSA-N 1 3 322.453 0.086 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2CCCNCC2)ccc1C[NH+](C)C ZINC000415310871 417362062 /nfs/dbraw/zinc/36/20/62/417362062.db2.gz QFRIYUPHSBFLDW-UHFFFAOYSA-N 1 3 318.421 0.817 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)[C@]1(COC)CCCCN1 ZINC000638070787 417311166 /nfs/dbraw/zinc/31/11/66/417311166.db2.gz AGBRYBOYRVXNFT-OAHLLOKOSA-N 1 3 301.431 0.230 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)[C@]1(COC)CCCCN1 ZINC000638070787 417311169 /nfs/dbraw/zinc/31/11/69/417311169.db2.gz AGBRYBOYRVXNFT-OAHLLOKOSA-N 1 3 301.431 0.230 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000638076582 417314637 /nfs/dbraw/zinc/31/46/37/417314637.db2.gz LWCBMALZFWUGIB-IAGOWNOFSA-N 1 3 318.465 0.902 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000638084578 417317237 /nfs/dbraw/zinc/31/72/37/417317237.db2.gz FGIIAJXZGPXIDQ-ZACQAIPSSA-N 1 3 317.433 0.783 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000638084578 417317245 /nfs/dbraw/zinc/31/72/45/417317245.db2.gz FGIIAJXZGPXIDQ-ZACQAIPSSA-N 1 3 317.433 0.783 20 0 DCADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638102466 417325375 /nfs/dbraw/zinc/32/53/75/417325375.db2.gz HQQRAXKXAGCFOF-JKSUJKDBSA-N 1 3 321.421 0.402 20 0 DCADHO COCCN1CC[C@@H](NC(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638101907 417325565 /nfs/dbraw/zinc/32/55/65/417325565.db2.gz SIMBIZGMVQNLES-MRXNPFEDSA-N 1 3 317.433 0.712 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c1 ZINC000415221822 417343126 /nfs/dbraw/zinc/34/31/26/417343126.db2.gz PJDAUNJDRLCMAR-LBPRGKRZSA-N 1 3 306.410 0.801 20 0 DCADHO CNCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000415257427 417346900 /nfs/dbraw/zinc/34/69/00/417346900.db2.gz BDRCLHRSRXWQNE-LBPRGKRZSA-N 1 3 306.410 0.658 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)CCC2C[NH2+]C2)CC1 ZINC000638137438 417347578 /nfs/dbraw/zinc/34/75/78/417347578.db2.gz KFWOWYUMIUPALL-UHFFFAOYSA-N 1 3 303.410 0.772 20 0 DCADHO COC[C@@]1(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638239156 417390114 /nfs/dbraw/zinc/39/01/14/417390114.db2.gz FXQUSRXSOQXCRQ-DOTOQJQBSA-N 1 3 309.454 0.993 20 0 DCADHO CN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](CN)C1 ZINC000570938629 417407087 /nfs/dbraw/zinc/40/70/87/417407087.db2.gz UASGGJHNQANXRH-AWEZNQCLSA-N 1 3 311.474 0.534 20 0 DCADHO NC(C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C(F)(F)F ZINC000571047129 417419553 /nfs/dbraw/zinc/41/95/53/417419553.db2.gz UUUQYVXPVOQBID-MXWKQRLJSA-N 1 3 309.332 0.621 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000571102591 417424607 /nfs/dbraw/zinc/42/46/07/417424607.db2.gz PYNYFFAFKSVQQV-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000571102591 417424611 /nfs/dbraw/zinc/42/46/11/417424611.db2.gz PYNYFFAFKSVQQV-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571149321 417427072 /nfs/dbraw/zinc/42/70/72/417427072.db2.gz UJVXJMRKRFAZFG-GJZGRUSLSA-N 1 3 311.474 0.249 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571149321 417427077 /nfs/dbraw/zinc/42/70/77/417427077.db2.gz UJVXJMRKRFAZFG-GJZGRUSLSA-N 1 3 311.474 0.249 20 0 DCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)C2 ZINC000622027157 417370200 /nfs/dbraw/zinc/37/02/00/417370200.db2.gz YHJWLSWXOCDXJD-ZQIUZPCESA-N 1 3 320.437 0.023 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000638211103 417377228 /nfs/dbraw/zinc/37/72/28/417377228.db2.gz PKRFINNSEOZAQO-UONOGXRCSA-N 1 3 301.431 0.228 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622032101 417378172 /nfs/dbraw/zinc/37/81/72/417378172.db2.gz ZDCBKRJYYAGULR-YOEHRIQHSA-N 1 3 322.453 0.271 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CC[C@@H]1C(F)(F)F ZINC000638548324 417487146 /nfs/dbraw/zinc/48/71/46/417487146.db2.gz MWGARKSKALWPOC-WOPDTQHZSA-N 1 3 323.359 0.741 20 0 DCADHO CN(C)CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000638383447 417437706 /nfs/dbraw/zinc/43/77/06/417437706.db2.gz HWUMICGVUSJWQN-HOCLYGCPSA-N 1 3 305.426 0.646 20 0 DCADHO C[C@@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)N(C)C ZINC000529329893 417441684 /nfs/dbraw/zinc/44/16/84/417441684.db2.gz JEUIOKXTAMWNQY-ZFWWWQNUSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000633555121 417449045 /nfs/dbraw/zinc/44/90/45/417449045.db2.gz BBDHRYNONHLTPZ-IGQOVBAYSA-N 1 3 312.458 0.145 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507291 417477599 /nfs/dbraw/zinc/47/75/99/417477599.db2.gz CHNZTZNZHJOSEE-ZBYUQBLASA-N 1 3 307.438 0.920 20 0 DCADHO COCC1(CNC(=O)[C@H]2CNCCC2(F)F)CC[NH2+]CC1 ZINC000644127868 417478138 /nfs/dbraw/zinc/47/81/38/417478138.db2.gz JZXZKMMDBRYBNF-LLVKDONJSA-N 1 3 305.369 0.364 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526421 417482676 /nfs/dbraw/zinc/48/26/76/417482676.db2.gz KFNWNPLAAPBTJQ-GFCCVEGCSA-N 1 3 306.410 0.772 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000638674345 417530945 /nfs/dbraw/zinc/53/09/45/417530945.db2.gz UKKYCSOJHDZVOQ-BBRMVZONSA-N 1 3 305.378 0.874 20 0 DCADHO NCc1ccc2c(c1)N(C(=O)COC1CC[NH2+]CC1)CCO2 ZINC000638803681 417562174 /nfs/dbraw/zinc/56/21/74/417562174.db2.gz AGEVWBUYNNWATK-UHFFFAOYSA-N 1 3 305.378 0.639 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCC1 ZINC000575902715 417561709 /nfs/dbraw/zinc/56/17/09/417561709.db2.gz RLVQWEADCVGMGP-CYBMUJFWSA-N 1 3 308.426 0.071 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1CCC[NH2+]CC1 ZINC000638986058 417600336 /nfs/dbraw/zinc/60/03/36/417600336.db2.gz SUFOTXZUWLWDRL-CYBMUJFWSA-N 1 3 303.410 0.819 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000639002105 417602491 /nfs/dbraw/zinc/60/24/91/417602491.db2.gz WGZQLLDOAWOEBU-ZBFHGGJFSA-N 1 3 313.442 0.230 20 0 DCADHO C[NH+](C)C1CCN(CCNCc2cc3c(cn2)OCCO3)CC1 ZINC000638879232 417575388 /nfs/dbraw/zinc/57/53/88/417575388.db2.gz VTXHGGJPXHYBPN-UHFFFAOYSA-N 1 3 320.437 0.968 20 0 DCADHO COCCN1CC[C@H](NC[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644554258 417618366 /nfs/dbraw/zinc/61/83/66/417618366.db2.gz VDODIANCKGAPJR-ZWKOTPCHSA-N 1 3 321.465 0.790 20 0 DCADHO COCCN1CC[C@H](NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644554258 417618370 /nfs/dbraw/zinc/61/83/70/417618370.db2.gz VDODIANCKGAPJR-ZWKOTPCHSA-N 1 3 321.465 0.790 20 0 DCADHO CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644562027 417618970 /nfs/dbraw/zinc/61/89/70/417618970.db2.gz OPMBMQQSEDMCCU-WBVHZDCISA-N 1 3 313.486 0.921 20 0 DCADHO CC(C)(O)C[NH+]1CCC(N[C@@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000639147595 417627933 /nfs/dbraw/zinc/62/79/33/417627933.db2.gz NEJZYIOQPFAAKD-CABCVRRESA-N 1 3 316.486 0.969 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)COC1CC[NH2+]CC1 ZINC000576634696 417626594 /nfs/dbraw/zinc/62/65/94/417626594.db2.gz CCZCQINCHLANAN-UHFFFAOYSA-N 1 3 320.437 0.740 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000576729726 417631348 /nfs/dbraw/zinc/63/13/48/417631348.db2.gz RGDMMWLJHQKYJY-HUUCEWRRSA-N 1 3 311.474 0.391 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000576729726 417631351 /nfs/dbraw/zinc/63/13/51/417631351.db2.gz RGDMMWLJHQKYJY-HUUCEWRRSA-N 1 3 311.474 0.391 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000628748593 417684805 /nfs/dbraw/zinc/68/48/05/417684805.db2.gz BHMUUMRPJVIWIP-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000628748593 417684813 /nfs/dbraw/zinc/68/48/13/417684813.db2.gz BHMUUMRPJVIWIP-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000580421738 417699783 /nfs/dbraw/zinc/69/97/83/417699783.db2.gz BEEYWJYJOXAJJN-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+]1CCC2(CC1)CN(CC(C)(C)N1CCOCC1)CCO2 ZINC000639285644 417652447 /nfs/dbraw/zinc/65/24/47/417652447.db2.gz HTXWXWVDLBUGEO-UHFFFAOYSA-N 1 3 311.470 0.894 20 0 DCADHO C[C@H]1CCN(CC[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000532139182 417662002 /nfs/dbraw/zinc/66/20/02/417662002.db2.gz ZZWZHZVYVWQWAH-HNNXBMFYSA-N 1 3 318.469 0.660 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000577085933 417662468 /nfs/dbraw/zinc/66/24/68/417662468.db2.gz WBELKDCVJGIGJF-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635498556 417679546 /nfs/dbraw/zinc/67/95/46/417679546.db2.gz GNUZTKZSNODVMT-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635498556 417679550 /nfs/dbraw/zinc/67/95/50/417679550.db2.gz GNUZTKZSNODVMT-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000635570767 417705971 /nfs/dbraw/zinc/70/59/71/417705971.db2.gz LSIHYCVOANZQQA-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000635570767 417705974 /nfs/dbraw/zinc/70/59/74/417705974.db2.gz LSIHYCVOANZQQA-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645262814 417720719 /nfs/dbraw/zinc/72/07/19/417720719.db2.gz HHEVFEDWQOJKEQ-OLZOCXBDSA-N 1 3 313.446 0.088 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645289119 417725234 /nfs/dbraw/zinc/72/52/34/417725234.db2.gz NXPBPJFVQNZARE-ZDUSSCGKSA-N 1 3 318.425 0.387 20 0 DCADHO Cc1cc(NC(=O)CCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)no1 ZINC000581370652 417727680 /nfs/dbraw/zinc/72/76/80/417727680.db2.gz RNVYPDQCBTUUSY-CYBMUJFWSA-N 1 3 322.409 0.999 20 0 DCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639760175 417737299 /nfs/dbraw/zinc/73/72/99/417737299.db2.gz SXHJFJKQDKXYED-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+]1CCC2(CCN(CCN3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000639758022 417737307 /nfs/dbraw/zinc/73/73/07/417737307.db2.gz OLEWYCNHXOTGKG-UHFFFAOYSA-N 1 3 308.426 0.735 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000662632805 417829077 /nfs/dbraw/zinc/82/90/77/417829077.db2.gz UDSIICIZPCDYDN-INIZCTEOSA-N 1 3 324.444 0.868 20 0 DCADHO C[NH+](C)CCCOC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000646163177 417792613 /nfs/dbraw/zinc/79/26/13/417792613.db2.gz WHJBBHGUOQLBHF-UHFFFAOYSA-N 1 3 313.442 0.324 20 0 DCADHO COC1CCN(CCNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000646181062 417798804 /nfs/dbraw/zinc/79/88/04/417798804.db2.gz SESPTNQZRPKXRR-GFCCVEGCSA-N 1 3 301.456 0.309 20 0 DCADHO NC[C@@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)C(F)(F)F ZINC000662586792 417815169 /nfs/dbraw/zinc/81/51/69/417815169.db2.gz ZWBZNJZPVIIDRD-SNVBAGLBSA-N 1 3 306.288 0.761 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CC(C)(C)[NH3+])c1 ZINC000645896585 417817706 /nfs/dbraw/zinc/81/77/06/417817706.db2.gz JORPLASZEWPJAW-UHFFFAOYSA-N 1 3 320.437 0.722 20 0 DCADHO COCCN(C)CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662684530 417851231 /nfs/dbraw/zinc/85/12/31/417851231.db2.gz DOCMAXWVGZHOST-LBPRGKRZSA-N 1 3 311.348 0.613 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000662689299 417854846 /nfs/dbraw/zinc/85/48/46/417854846.db2.gz TVIVCIKSTMJFIW-TUVASFSCSA-N 1 3 313.442 0.356 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652167527 417855277 /nfs/dbraw/zinc/85/52/77/417855277.db2.gz WOLIBGMPQCBIBU-CTHBEMJXSA-N 1 3 310.442 0.474 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662707950 417864016 /nfs/dbraw/zinc/86/40/16/417864016.db2.gz IRNDIVLGCSKHOA-IXDOHACOSA-N 1 3 321.465 0.992 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662713209 417865290 /nfs/dbraw/zinc/86/52/90/417865290.db2.gz VTHLUKOEVFHRIF-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCO[C@@H]1CN(C(=O)NC[C@H](N)c2ccccc2)C[C@H]1C[NH3+] ZINC000652208841 417865622 /nfs/dbraw/zinc/86/56/22/417865622.db2.gz QZABJJXRXGSCQI-QLFBSQMISA-N 1 3 306.410 0.692 20 0 DCADHO CN(C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000662720218 417870281 /nfs/dbraw/zinc/87/02/81/417870281.db2.gz WFLFMCYGHJPRHP-YPMHNXCESA-N 1 3 303.410 0.795 20 0 DCADHO [NH3+][C@H]1C[C@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000662748227 417885671 /nfs/dbraw/zinc/88/56/71/417885671.db2.gz MXSHENJUTZLDKM-WKILWMFISA-N 1 3 317.433 0.997 20 0 DCADHO CC1(C)CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCN1 ZINC000662783165 417901508 /nfs/dbraw/zinc/90/15/08/417901508.db2.gz JKJMBBXBJMSNEL-GFCCVEGCSA-N 1 3 306.414 0.417 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CN1C1CC1 ZINC000631708830 417923506 /nfs/dbraw/zinc/92/35/06/417923506.db2.gz HFPSFOQPCBKZRD-GXTWGEPZSA-N 1 3 305.426 0.800 20 0 DCADHO C[C@@H]([NH3+])CCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662859431 417926852 /nfs/dbraw/zinc/92/68/52/417926852.db2.gz MMLJVNSBFWINTI-CJNGLKHVSA-N 1 3 305.422 0.997 20 0 DCADHO CC(C)([NH3+])CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857893 417929347 /nfs/dbraw/zinc/92/93/47/417929347.db2.gz CPXNZEVINIVBLS-OAHLLOKOSA-N 1 3 305.422 0.997 20 0 DCADHO O=S(=O)(CCC[NH+]1CCCC1)NC[C@@H]1CCN(C2CC2)C1 ZINC000631734910 417930134 /nfs/dbraw/zinc/93/01/34/417930134.db2.gz KCTCVHNIIKDOQT-AWEZNQCLSA-N 1 3 315.483 0.876 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000652612550 417932293 /nfs/dbraw/zinc/93/22/93/417932293.db2.gz VQCGRPPXKFVEGM-MELADBBJSA-N 1 3 320.441 0.954 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000640955540 417950805 /nfs/dbraw/zinc/95/08/05/417950805.db2.gz WDDOLZIYAMSTDB-PMPSAXMXSA-N 1 3 323.485 0.406 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000652704324 417951209 /nfs/dbraw/zinc/95/12/09/417951209.db2.gz JFZZSMUHGUDODW-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000652732268 417959507 /nfs/dbraw/zinc/95/95/07/417959507.db2.gz HDMMMCDTYJPKFH-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)[C@H](C[NH3+])C1 ZINC000662985935 417971272 /nfs/dbraw/zinc/97/12/72/417971272.db2.gz FAVHCRHJOFGHBV-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)[C@H](N)CC[NH+](C)C)c1 ZINC000653108481 418027246 /nfs/dbraw/zinc/02/72/46/418027246.db2.gz ZCMZWEBESOCHFM-OAHLLOKOSA-N 1 3 308.426 0.845 20 0 DCADHO CCn1cc(CNC2CCN(C(=O)CCC[NH2+]C)CC2)cn1 ZINC000663504417 418027554 /nfs/dbraw/zinc/02/75/54/418027554.db2.gz WCMMHJKJRZIWDD-UHFFFAOYSA-N 1 3 307.442 0.983 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@H](N)CC[NH+](C)C)N(C)C)cc1 ZINC000653112346 418029753 /nfs/dbraw/zinc/02/97/53/418029753.db2.gz WAOHJROGNHHCJQ-CVEARBPZSA-N 1 3 306.454 0.993 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1(C)C ZINC000653247609 418047212 /nfs/dbraw/zinc/04/72/12/418047212.db2.gz JXWMUNXZJABJBK-JXFSHQFZSA-N 1 3 313.442 0.341 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659512795 418109215 /nfs/dbraw/zinc/10/92/15/418109215.db2.gz WJMXSDSEETUMAX-UKRRQHHQSA-N 1 3 310.442 0.539 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000648199088 418117398 /nfs/dbraw/zinc/11/73/98/418117398.db2.gz NLVWGFISXNGGMM-ZBFHGGJFSA-N 1 3 318.421 0.171 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)C[C@H]2CNCCO2)C1 ZINC000653267736 418050488 /nfs/dbraw/zinc/05/04/88/418050488.db2.gz VKPXLSOSIVAZJO-QPSCCSFWSA-N 1 3 311.426 0.252 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](NCC2(O)CCCCC2)C1=O ZINC000653284477 418052934 /nfs/dbraw/zinc/05/29/34/418052934.db2.gz IIRCFNWMLQXUHX-ZDUSSCGKSA-N 1 3 311.426 0.350 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000659114925 418064249 /nfs/dbraw/zinc/06/42/49/418064249.db2.gz SBWKAYCDUMWZJM-LBPRGKRZSA-N 1 3 322.409 0.290 20 0 DCADHO Cc1ccc(NC(=O)c2cn(CC[NH3+])nn2)c(CN(C)C)c1 ZINC000659285387 418077395 /nfs/dbraw/zinc/07/73/95/418077395.db2.gz NNJPDLWFWLFIHC-UHFFFAOYSA-N 1 3 302.382 0.859 20 0 DCADHO Cn1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1=O ZINC000647942407 418078288 /nfs/dbraw/zinc/07/82/88/418078288.db2.gz WIDBQZIMVXTGPG-AWEZNQCLSA-N 1 3 306.410 0.205 20 0 DCADHO COC[C@@]1(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[NH2+]C1 ZINC000659364115 418086631 /nfs/dbraw/zinc/08/66/31/418086631.db2.gz HQCMSXPOKWAGIK-NVXWUHKLSA-N 1 3 319.405 0.912 20 0 DCADHO COC[C@]1(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[NH2+]C1 ZINC000659364117 418087098 /nfs/dbraw/zinc/08/70/98/418087098.db2.gz HQCMSXPOKWAGIK-WBVHZDCISA-N 1 3 319.405 0.912 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664131119 418089506 /nfs/dbraw/zinc/08/95/06/418089506.db2.gz YAHRZDCYYPLATJ-BBRMVZONSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664131119 418089508 /nfs/dbraw/zinc/08/95/08/418089508.db2.gz YAHRZDCYYPLATJ-BBRMVZONSA-N 1 3 322.453 0.464 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000659438222 418098388 /nfs/dbraw/zinc/09/83/88/418098388.db2.gz XXWVCUNITIVYKR-RYUDHWBXSA-N 1 3 320.397 0.067 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000659438222 418098391 /nfs/dbraw/zinc/09/83/91/418098391.db2.gz XXWVCUNITIVYKR-RYUDHWBXSA-N 1 3 320.397 0.067 20 0 DCADHO CCN(C(=O)NCC[N@H+](C)CCCOC)[C@@H]1CCN(C)C1 ZINC000664219141 418098572 /nfs/dbraw/zinc/09/85/72/418098572.db2.gz LXOXEIOHHFGMOQ-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CCN(C(=O)NCC[N@@H+](C)CCCOC)[C@@H]1CCN(C)C1 ZINC000664219141 418098574 /nfs/dbraw/zinc/09/85/74/418098574.db2.gz LXOXEIOHHFGMOQ-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000648105157 418099083 /nfs/dbraw/zinc/09/90/83/418099083.db2.gz ZTUFIDZUFLCNMH-GUTXKFCHSA-N 1 3 310.442 0.077 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659561442 418119140 /nfs/dbraw/zinc/11/91/40/418119140.db2.gz KWPJWJWMLOXLHL-INIZCTEOSA-N 1 3 324.469 0.929 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000659573912 418121314 /nfs/dbraw/zinc/12/13/14/418121314.db2.gz UQKFKJHIXRHMOF-UHFFFAOYSA-N 1 3 311.474 0.537 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659609067 418125327 /nfs/dbraw/zinc/12/53/27/418125327.db2.gz RTPVWOOGYFGVMP-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632009 418133407 /nfs/dbraw/zinc/13/34/07/418133407.db2.gz NRCGYVDNNFYGAE-JQWIXIFHSA-N 1 3 320.397 0.019 20 0 DCADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632009 418133411 /nfs/dbraw/zinc/13/34/11/418133411.db2.gz NRCGYVDNNFYGAE-JQWIXIFHSA-N 1 3 320.397 0.019 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659680935 418145353 /nfs/dbraw/zinc/14/53/53/418145353.db2.gz BPEBIYALDUETRX-UHFFFAOYSA-N 1 3 322.453 0.174 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659684654 418146838 /nfs/dbraw/zinc/14/68/38/418146838.db2.gz HPYLIPQQHKCUFE-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N1CCC(C)CC1 ZINC000659689272 418147515 /nfs/dbraw/zinc/14/75/15/418147515.db2.gz YTMBVXVMIADVCC-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C1=CCN(C)CC1 ZINC000659701726 418152668 /nfs/dbraw/zinc/15/26/68/418152668.db2.gz IOIJZEXILMBQEO-IPYPFGDCSA-N 1 3 322.453 0.339 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1nc(C2CC2)nn1C ZINC000648770564 418153074 /nfs/dbraw/zinc/15/30/74/418153074.db2.gz OPHPGXKBEBHFQX-UHFFFAOYSA-N 1 3 322.457 0.187 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N1CC2CC1(CN)C2)[NH+]1CCCCC1 ZINC000659706225 418154478 /nfs/dbraw/zinc/15/44/78/418154478.db2.gz HRBNSXQTHNBNFD-TUBUQKNSSA-N 1 3 322.453 0.317 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000659707755 418154566 /nfs/dbraw/zinc/15/45/66/418154566.db2.gz ICTSIRKGIIDKSP-LBPRGKRZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659713384 418158473 /nfs/dbraw/zinc/15/84/73/418158473.db2.gz IRBFREJNDREKFY-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654591258 418164409 /nfs/dbraw/zinc/16/44/09/418164409.db2.gz YNZOGOMJBHGRDC-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654591258 418164413 /nfs/dbraw/zinc/16/44/13/418164413.db2.gz YNZOGOMJBHGRDC-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659726136 418164907 /nfs/dbraw/zinc/16/49/07/418164907.db2.gz CEMPELGGOWVWEJ-YJNKXOJESA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659726111 418165195 /nfs/dbraw/zinc/16/51/95/418165195.db2.gz BWJVCUNFLVVXRH-MELADBBJSA-N 1 3 324.469 0.752 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000659730522 418167395 /nfs/dbraw/zinc/16/73/95/418167395.db2.gz XQGAZASHNGTMMC-UPJWGTAASA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000659745570 418174697 /nfs/dbraw/zinc/17/46/97/418174697.db2.gz ZSDBDFUPIYGSJN-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000649372774 418247974 /nfs/dbraw/zinc/24/79/74/418247974.db2.gz GVGXLDUKIGFYNU-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000660372931 418254629 /nfs/dbraw/zinc/25/46/29/418254629.db2.gz ZEDPLHVDKOWDJH-LSDHHAIUSA-N 1 3 301.475 0.465 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000660372931 418254630 /nfs/dbraw/zinc/25/46/30/418254630.db2.gz ZEDPLHVDKOWDJH-LSDHHAIUSA-N 1 3 301.475 0.465 20 0 DCADHO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654775322 418186253 /nfs/dbraw/zinc/18/62/53/418186253.db2.gz JBERZGUOPNJDJC-UONOGXRCSA-N 1 3 319.453 0.873 20 0 DCADHO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654775322 418186257 /nfs/dbraw/zinc/18/62/57/418186257.db2.gz JBERZGUOPNJDJC-UONOGXRCSA-N 1 3 319.453 0.873 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC1 ZINC000649068218 418189014 /nfs/dbraw/zinc/18/90/14/418189014.db2.gz BLNOWSYZANMGLL-AWEZNQCLSA-N 1 3 324.469 0.685 20 0 DCADHO Cn1cc(N2CC[C@@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)cn1 ZINC000649418280 418253724 /nfs/dbraw/zinc/25/37/24/418253724.db2.gz VQEGNRSIDAJAIE-VNHYZAJKSA-N 1 3 303.410 0.457 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)Nc2cccc(C[NH3+])c2)CC1=O ZINC000649268565 418217476 /nfs/dbraw/zinc/21/74/76/418217476.db2.gz SOQSXNJYVPDNSZ-CYBMUJFWSA-N 1 3 304.394 0.494 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553942 418221360 /nfs/dbraw/zinc/22/13/60/418221360.db2.gz CBTPNAKQPHZPHA-CYBMUJFWSA-N 1 3 300.447 0.473 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553942 418221362 /nfs/dbraw/zinc/22/13/62/418221362.db2.gz CBTPNAKQPHZPHA-CYBMUJFWSA-N 1 3 300.447 0.473 20 0 DCADHO CC(C)C[C@H](CNC(=O)CN1CCCC[C@H](N)C1=O)[NH+](C)C ZINC000649285167 418223315 /nfs/dbraw/zinc/22/33/15/418223315.db2.gz PHTSMYNPDGGYDL-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000660055663 418224823 /nfs/dbraw/zinc/22/48/23/418224823.db2.gz CQGGFWMGQDHRHF-CYBMUJFWSA-N 1 3 319.396 0.800 20 0 DCADHO CN(C)[C@@]1(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000649296552 418225725 /nfs/dbraw/zinc/22/57/25/418225725.db2.gz QWHCKJGFVAZUBA-CMPLNLGQSA-N 1 3 307.410 0.785 20 0 DCADHO Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)n1 ZINC000649420401 418254196 /nfs/dbraw/zinc/25/41/96/418254196.db2.gz GTOWVFDMWCGNOE-OAHLLOKOSA-N 1 3 303.414 0.887 20 0 DCADHO Cc1cc(C)n(CC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)n1 ZINC000649420401 418254200 /nfs/dbraw/zinc/25/42/00/418254200.db2.gz GTOWVFDMWCGNOE-OAHLLOKOSA-N 1 3 303.414 0.887 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000660372929 418254250 /nfs/dbraw/zinc/25/42/50/418254250.db2.gz ZEDPLHVDKOWDJH-HUUCEWRRSA-N 1 3 301.475 0.465 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000660372929 418254254 /nfs/dbraw/zinc/25/42/54/418254254.db2.gz ZEDPLHVDKOWDJH-HUUCEWRRSA-N 1 3 301.475 0.465 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649308606 418232126 /nfs/dbraw/zinc/23/21/26/418232126.db2.gz PUWPYQBFRSMVPG-FOLVSLTJSA-N 1 3 303.406 0.709 20 0 DCADHO CO[C@@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CCOC1 ZINC000660139263 418236772 /nfs/dbraw/zinc/23/67/72/418236772.db2.gz QNNJVUIOMUAXHC-WBVHZDCISA-N 1 3 313.486 0.996 20 0 DCADHO CO[C@@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)[C@@H]1CCOC1 ZINC000660139263 418236773 /nfs/dbraw/zinc/23/67/73/418236773.db2.gz QNNJVUIOMUAXHC-WBVHZDCISA-N 1 3 313.486 0.996 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CN1CCCC1 ZINC000655698403 418288711 /nfs/dbraw/zinc/28/87/11/418288711.db2.gz BLIRTUWEKNMPTN-DLBZAZTESA-N 1 3 311.470 0.676 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCSC1 ZINC000655919590 418300965 /nfs/dbraw/zinc/30/09/65/418300965.db2.gz HXRZTTNCCNHHGZ-WCBMZHEXSA-N 1 3 314.377 0.613 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655919697 418301403 /nfs/dbraw/zinc/30/14/03/418301403.db2.gz QPUKTCASVWTEAB-VIFPVBQESA-N 1 3 300.325 0.144 20 0 DCADHO CN(C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000656028250 418321082 /nfs/dbraw/zinc/32/10/82/418321082.db2.gz JKCIHPSPABKTEH-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656029295 418321460 /nfs/dbraw/zinc/32/14/60/418321460.db2.gz XWGFOPOEMONXGB-GRDNDAEWSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000660589446 418272872 /nfs/dbraw/zinc/27/28/72/418272872.db2.gz JBHQODSDZGCRNA-WBVHZDCISA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(N2CCOC[C@H]2C)CC1 ZINC000660589446 418272873 /nfs/dbraw/zinc/27/28/73/418272873.db2.gz JBHQODSDZGCRNA-WBVHZDCISA-N 1 3 313.486 0.873 20 0 DCADHO CC[C@H]1[C@H](CO)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649809013 418275072 /nfs/dbraw/zinc/27/50/72/418275072.db2.gz BVKWSXGJMSYLIG-BBRMVZONSA-N 1 3 309.454 0.822 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000660664129 418278601 /nfs/dbraw/zinc/27/86/01/418278601.db2.gz QEBIRHRACUXKRA-GJZGRUSLSA-N 1 3 315.483 0.686 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000660664129 418278602 /nfs/dbraw/zinc/27/86/02/418278602.db2.gz QEBIRHRACUXKRA-GJZGRUSLSA-N 1 3 315.483 0.686 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656296076 418340616 /nfs/dbraw/zinc/34/06/16/418340616.db2.gz PUIYMTJUVSUIAI-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO [NH3+]C[C@H](O)CCc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656455253 418355440 /nfs/dbraw/zinc/35/54/40/418355440.db2.gz AYAKSFAKYVYREG-DLBZAZTESA-N 1 3 315.421 0.977 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2C[C@@H]3COC[C@@]3(C)C2)C1=O ZINC000656479090 418357251 /nfs/dbraw/zinc/35/72/51/418357251.db2.gz WQPHTZUMANQTMG-DVOMOZLQSA-N 1 3 309.410 0.034 20 0 DCADHO OCCN(CCOCC(F)(F)F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258754 418394067 /nfs/dbraw/zinc/39/40/67/418394067.db2.gz XKFHARLZWGBSKT-NSHDSACASA-N 1 3 312.332 0.381 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H](CN)C(F)(F)F)CC1 ZINC000662332057 418402069 /nfs/dbraw/zinc/40/20/69/418402069.db2.gz MOMAMYVSWUGOSZ-GFCCVEGCSA-N 1 3 324.391 0.797 20 0 DCADHO CCN(CCO)CCNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000187330262 261124115 /nfs/dbraw/zinc/12/41/15/261124115.db2.gz HMOBUHSUDZQANG-UHFFFAOYSA-N 1 3 314.474 0.722 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000355591849 261351144 /nfs/dbraw/zinc/35/11/44/261351144.db2.gz XUXRUWMPRXRSGC-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358520437 261678096 /nfs/dbraw/zinc/67/80/96/261678096.db2.gz UOXAPKSKBHSBMZ-ZDUSSCGKSA-N 1 3 310.442 0.932 20 0 DCADHO CC1CCN(CCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362565920 262047460 /nfs/dbraw/zinc/04/74/60/262047460.db2.gz VJVBBUFUYOWFQG-ZDUSSCGKSA-N 1 3 305.426 0.948 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000362765499 262070099 /nfs/dbraw/zinc/07/00/99/262070099.db2.gz KNQVHDLRUBHKCJ-DOTOQJQBSA-N 1 3 322.497 0.670 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000362765499 262070101 /nfs/dbraw/zinc/07/01/01/262070101.db2.gz KNQVHDLRUBHKCJ-DOTOQJQBSA-N 1 3 322.497 0.670 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416836087 262240599 /nfs/dbraw/zinc/24/05/99/262240599.db2.gz GBHNMEFXQTXQNA-HZPDHXFCSA-N 1 3 318.421 0.549 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000416971082 262242589 /nfs/dbraw/zinc/24/25/89/262242589.db2.gz OSKAEHOCACQVNC-CQSZACIVSA-N 1 3 306.410 0.788 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000417097161 262245927 /nfs/dbraw/zinc/24/59/27/262245927.db2.gz WXHKPTAABNSZTG-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO COCCN(C)CC[C@@H](NC(=O)NCC[NH3+])c1ccccc1 ZINC000417512092 262253813 /nfs/dbraw/zinc/25/38/13/262253813.db2.gz HCSWMGGBXUQHBN-OAHLLOKOSA-N 1 3 308.426 0.954 20 0 DCADHO [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000417652748 262257301 /nfs/dbraw/zinc/25/73/01/262257301.db2.gz PJCWOLJWAQCTQX-MRXNPFEDSA-N 1 3 320.437 0.614 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000417844142 262263610 /nfs/dbraw/zinc/26/36/10/262263610.db2.gz ZONUHMWTDSLDOQ-IPYPFGDCSA-N 1 3 312.483 0.960 20 0 DCADHO CC[NH2+]CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417955810 262266208 /nfs/dbraw/zinc/26/62/08/262266208.db2.gz SDGHTGWKCKQMHV-UHFFFAOYSA-N 1 3 309.414 0.431 20 0 DCADHO CC1=CCN(CCNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418027609 262267919 /nfs/dbraw/zinc/26/79/19/262267919.db2.gz PNKIPCBDPVHTQJ-UHFFFAOYSA-N 1 3 309.458 0.233 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418059688 262269032 /nfs/dbraw/zinc/26/90/32/262269032.db2.gz ABLDMQGGSLSXDM-INIZCTEOSA-N 1 3 320.437 0.751 20 0 DCADHO [NH3+]CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078439 262269115 /nfs/dbraw/zinc/26/91/15/262269115.db2.gz VWERTQBDHWPGSH-HNNXBMFYSA-N 1 3 306.410 0.535 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000418431013 262277871 /nfs/dbraw/zinc/27/78/71/262277871.db2.gz VXGHVXMDOBQCCN-OAHLLOKOSA-N 1 3 313.490 0.639 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418500815 262279605 /nfs/dbraw/zinc/27/96/05/262279605.db2.gz ZLCDJMPXCXZFNF-RHSMWYFYSA-N 1 3 320.437 0.517 20 0 DCADHO CN1CCC(O)(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418609897 262283858 /nfs/dbraw/zinc/28/38/58/262283858.db2.gz GCPDGUHPNWABBB-ZDUSSCGKSA-N 1 3 312.458 0.521 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418648959 262285038 /nfs/dbraw/zinc/28/50/38/262285038.db2.gz IJEMYRKOVJXXPZ-ZFWWWQNUSA-N 1 3 306.410 0.618 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419075494 262306609 /nfs/dbraw/zinc/30/66/09/262306609.db2.gz GEVJTFBFRQCFPK-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419077373 262306660 /nfs/dbraw/zinc/30/66/60/262306660.db2.gz JBGLDUSQMRDBBM-KGLIPLIRSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419077818 262307265 /nfs/dbraw/zinc/30/72/65/262307265.db2.gz JXKNGLULBCVFDE-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419096005 262309042 /nfs/dbraw/zinc/30/90/42/262309042.db2.gz BOXVWURBQLPXTF-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419103548 262309214 /nfs/dbraw/zinc/30/92/14/262309214.db2.gz GEGOCMCOXJXCMN-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000419124201 262310779 /nfs/dbraw/zinc/31/07/79/262310779.db2.gz XFHPUWCDPOAVGQ-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419122985 262311002 /nfs/dbraw/zinc/31/10/02/262311002.db2.gz OQXTVRUVZHDGFO-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419172034 262316495 /nfs/dbraw/zinc/31/64/95/262316495.db2.gz QIQZFSVJEWKPRO-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419175430 262316947 /nfs/dbraw/zinc/31/69/47/262316947.db2.gz XNFPYYXPQSVIFN-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419175279 262317296 /nfs/dbraw/zinc/31/72/96/262317296.db2.gz XCSCENLUOPYFRG-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419220657 262320157 /nfs/dbraw/zinc/32/01/57/262320157.db2.gz BSGJZKBDOVSLEU-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCC1 ZINC000419232753 262322104 /nfs/dbraw/zinc/32/21/04/262322104.db2.gz GEOJUMNDCYGNDC-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000419405978 262330315 /nfs/dbraw/zinc/33/03/15/262330315.db2.gz IHPDOIAPOKXSIU-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419411029 262331378 /nfs/dbraw/zinc/33/13/78/262331378.db2.gz PRFSCTZFDJPJKA-UHFFFAOYSA-N 1 3 324.469 0.612 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000419417945 262331961 /nfs/dbraw/zinc/33/19/61/262331961.db2.gz XVUHTWWFZTZBHB-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419480379 262334040 /nfs/dbraw/zinc/33/40/40/262334040.db2.gz NEJFOLNDGJJAPH-HZSPNIEDSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419480379 262334041 /nfs/dbraw/zinc/33/40/41/262334041.db2.gz NEJFOLNDGJJAPH-HZSPNIEDSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N(C)C1CC1 ZINC000419593001 262339406 /nfs/dbraw/zinc/33/94/06/262339406.db2.gz SKSULWVAHBIXNX-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419595429 262339755 /nfs/dbraw/zinc/33/97/55/262339755.db2.gz WTSMHWUUHNIFDN-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCCCC[NH3+] ZINC000419695688 262346358 /nfs/dbraw/zinc/34/63/58/262346358.db2.gz LIIMRNYDWALAIP-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419696991 262346894 /nfs/dbraw/zinc/34/68/94/262346894.db2.gz NICIQASVMCGIQO-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419696894 262346924 /nfs/dbraw/zinc/34/69/24/262346924.db2.gz PPZULNWHKCYHHS-KGLIPLIRSA-N 1 3 322.453 0.235 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420058600 262358097 /nfs/dbraw/zinc/35/80/97/262358097.db2.gz JZIRTIPDEQTUKA-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)[C@H]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420157689 262364849 /nfs/dbraw/zinc/36/48/49/262364849.db2.gz GNVQPHOXDIRRNL-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH2+][C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000420268323 262368516 /nfs/dbraw/zinc/36/85/16/262368516.db2.gz GPDSBJUZXKIAGF-JKSUJKDBSA-N 1 3 304.438 0.699 20 0 DCADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420270378 262368550 /nfs/dbraw/zinc/36/85/50/262368550.db2.gz YQJIUQBKTXQUIN-VXGBXAGGSA-N 1 3 319.457 0.981 20 0 DCADHO CCNc1nc(N[C@H]2CC[C@@H](C[NH3+])C2)nc(NC(C)(C)C)n1 ZINC000420278692 262368819 /nfs/dbraw/zinc/36/88/19/262368819.db2.gz RUFRXQQGNCIUER-MNOVXSKESA-N 1 3 307.446 0.897 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422115592 262396738 /nfs/dbraw/zinc/39/67/38/262396738.db2.gz JWSIWLXIDSAHHV-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422115592 262396739 /nfs/dbraw/zinc/39/67/39/262396739.db2.gz JWSIWLXIDSAHHV-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422139714 262398889 /nfs/dbraw/zinc/39/88/89/262398889.db2.gz NRQWRIFRHBQJEA-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422139714 262398890 /nfs/dbraw/zinc/39/88/90/262398890.db2.gz NRQWRIFRHBQJEA-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426451458 262554550 /nfs/dbraw/zinc/55/45/50/262554550.db2.gz QIPCWGNAAGHGBD-HOCLYGCPSA-N 1 3 308.470 0.755 20 0 DCADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC[NH3+] ZINC000418295058 271240775 /nfs/dbraw/zinc/24/07/75/271240775.db2.gz IEMVUPWOCDKEHB-INIZCTEOSA-N 1 3 306.410 0.224 20 0 DCADHO [NH3+]C1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCCC1 ZINC000418297506 271241509 /nfs/dbraw/zinc/24/15/09/271241509.db2.gz OFCOZGHZXAOXNA-CQSZACIVSA-N 1 3 312.458 0.794 20 0 DCADHO CCC[NH2+]CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000418468243 271246036 /nfs/dbraw/zinc/24/60/36/271246036.db2.gz HBKQFVZICSRYSD-UHFFFAOYSA-N 1 3 313.490 0.701 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCN1CCCO)C1CCCC1 ZINC000418624472 271248945 /nfs/dbraw/zinc/24/89/45/271248945.db2.gz PANMDRJQJNIWBU-CABCVRRESA-N 1 3 312.458 0.650 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419025614 271266006 /nfs/dbraw/zinc/26/60/06/271266006.db2.gz MJINADGBWIUCKT-MJBXVCDLSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419044553 271270043 /nfs/dbraw/zinc/27/00/43/271270043.db2.gz LUKCDTVTNFQOHJ-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419137685 271273628 /nfs/dbraw/zinc/27/36/28/271273628.db2.gz PKHAAGXSAZEAKZ-MCIONIFRSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419141010 271275792 /nfs/dbraw/zinc/27/57/92/271275792.db2.gz AGOWMFJUNAIOBC-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C(=O)C(=O)NCC1(N(C)C)CCC1)C1CC[NH2+]CC1 ZINC000419247634 271278411 /nfs/dbraw/zinc/27/84/11/271278411.db2.gz XQRCNXSLGXRALV-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000419578472 271309135 /nfs/dbraw/zinc/30/91/35/271309135.db2.gz DVTKQEMEVBJQPQ-AVGNSLFASA-N 1 3 310.442 0.171 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000419577469 271309558 /nfs/dbraw/zinc/30/95/58/271309558.db2.gz DDMCMOYDDHEYFN-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)N(C)C1CC1 ZINC000419577451 271310134 /nfs/dbraw/zinc/31/01/34/271310134.db2.gz DDGUURUAKVGARO-DOMZBBRYSA-N 1 3 324.469 0.609 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419582787 271311531 /nfs/dbraw/zinc/31/15/31/271311531.db2.gz JPIHLKAVCBVXPS-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419811095 271326226 /nfs/dbraw/zinc/32/62/26/271326226.db2.gz CGSRCZSUMCUQOI-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419811095 271326229 /nfs/dbraw/zinc/32/62/29/271326229.db2.gz CGSRCZSUMCUQOI-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419859061 271334005 /nfs/dbraw/zinc/33/40/05/271334005.db2.gz YBGVEOPIKDUNEZ-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419886280 271337274 /nfs/dbraw/zinc/33/72/74/271337274.db2.gz CAPALVXGINSFFQ-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419937168 271345037 /nfs/dbraw/zinc/34/50/37/271345037.db2.gz MLQZRTKSAKCPHW-MCIONIFRSA-N 1 3 310.442 0.090 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000422760818 271383996 /nfs/dbraw/zinc/38/39/96/271383996.db2.gz LIRFXDBIHWXXSZ-CQSZACIVSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C[NH3+] ZINC000424055036 271395181 /nfs/dbraw/zinc/39/51/81/271395181.db2.gz BAYQCHKXKGPJJE-LXTVHRRPSA-N 1 3 324.469 0.228 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459992410 272023262 /nfs/dbraw/zinc/02/32/62/272023262.db2.gz JGDOZBWBGJQKJL-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459992410 272023265 /nfs/dbraw/zinc/02/32/65/272023265.db2.gz JGDOZBWBGJQKJL-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000487186799 272038961 /nfs/dbraw/zinc/03/89/61/272038961.db2.gz LFNSRGLYTXJMIT-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489610039 272064686 /nfs/dbraw/zinc/06/46/86/272064686.db2.gz XPEMPMBPGRIHAL-SOUVJXGZSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000492322658 272123812 /nfs/dbraw/zinc/12/38/12/272123812.db2.gz SOTFDNFAYCMESV-OKQSBHACSA-N 1 3 308.470 0.589 20 0 DCADHO O=C(CC[C@H]1CCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000494680349 272227549 /nfs/dbraw/zinc/22/75/49/272227549.db2.gz IGIODYJQMOGHGJ-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000495135751 272239336 /nfs/dbraw/zinc/23/93/36/272239336.db2.gz HHQCUPJZOVBQRH-GOEBONIOSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000495135751 272239338 /nfs/dbraw/zinc/23/93/38/272239338.db2.gz HHQCUPJZOVBQRH-GOEBONIOSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000519532979 272501862 /nfs/dbraw/zinc/50/18/62/272501862.db2.gz KMGNKYZZEDZVLB-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H]1C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000541788410 287926248 /nfs/dbraw/zinc/92/62/48/287926248.db2.gz XHIFQRXFLODOQJ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000418958253 278017899 /nfs/dbraw/zinc/01/78/99/278017899.db2.gz GAMKTAYSPIYTCP-MGPQQGTHSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000547296262 288035961 /nfs/dbraw/zinc/03/59/61/288035961.db2.gz QGLZVOZKNCEABI-FMKPAKJESA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000547296262 288035963 /nfs/dbraw/zinc/03/59/63/288035963.db2.gz QGLZVOZKNCEABI-FMKPAKJESA-N 1 3 312.458 0.473 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000548001040 288100794 /nfs/dbraw/zinc/10/07/94/288100794.db2.gz GKWPFUSQVOYBHI-LSDHHAIUSA-N 1 3 314.474 0.672 20 0 DCADHO CC(C)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)N1CCN(C)CC1 ZINC000416942044 280246266 /nfs/dbraw/zinc/24/62/66/280246266.db2.gz AUGPCLVLIJGNGU-CABCVRRESA-N 1 3 311.474 0.295 20 0 DCADHO CC(C)CCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000550269170 288214611 /nfs/dbraw/zinc/21/46/11/288214611.db2.gz CNKINTLEKXAFDO-UHFFFAOYSA-N 1 3 300.447 0.101 20 0 DCADHO COCc1ncsc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000555871940 288364283 /nfs/dbraw/zinc/36/42/83/288364283.db2.gz ADXRCMZGDLEGEM-UHFFFAOYSA-N 1 3 314.455 0.855 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000557805561 288431746 /nfs/dbraw/zinc/43/17/46/288431746.db2.gz PUFCGBMYCZUZEM-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000562828742 288603229 /nfs/dbraw/zinc/60/32/29/288603229.db2.gz FDDQHRCIYHMPKY-CQSZACIVSA-N 1 3 310.442 0.032 20 0 DCADHO NC[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000564935203 288792024 /nfs/dbraw/zinc/79/20/24/288792024.db2.gz QRCVIEVDRVJIEV-HOCLYGCPSA-N 1 3 318.421 0.633 20 0 DCADHO [NH3+][C@@H](CC(=O)NCCCN1CCC(O)CC1)Cc1ccccc1 ZINC000564938550 288793109 /nfs/dbraw/zinc/79/31/09/288793109.db2.gz WSBYBQBXJMAGSN-MRXNPFEDSA-N 1 3 319.449 0.910 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC[N@@H+]2CCCC2(C)C)CC1=O ZINC000457054781 289158983 /nfs/dbraw/zinc/15/89/83/289158983.db2.gz LQAWFBDVHULDTP-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC[N@H+]2CCCC2(C)C)CC1=O ZINC000457054781 289158985 /nfs/dbraw/zinc/15/89/85/289158985.db2.gz LQAWFBDVHULDTP-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO NC(=O)[C@H]1CCCCN1CCCCC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000157327794 295147863 /nfs/dbraw/zinc/14/78/63/295147863.db2.gz HDEZQOSOKVFJTL-HUUCEWRRSA-N 1 3 324.469 0.836 20 0 DCADHO NC(=O)[C@H]1CCCCN1CCCCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000157327794 295147864 /nfs/dbraw/zinc/14/78/64/295147864.db2.gz HDEZQOSOKVFJTL-HUUCEWRRSA-N 1 3 324.469 0.836 20 0 DCADHO CC(C)[NH2+]CCC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000584111361 331794946 /nfs/dbraw/zinc/79/49/46/331794946.db2.gz ZNCQXVMKKKSEJJ-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000584467715 337347360 /nfs/dbraw/zinc/34/73/60/337347360.db2.gz CKNMBPLYUWIEME-GDBMZVCRSA-N 1 3 303.406 0.710 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@@H](CN)C1 ZINC000584519939 337354606 /nfs/dbraw/zinc/35/46/06/337354606.db2.gz VSHPGJHSCGGCEQ-HRCADAONSA-N 1 3 317.437 0.026 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000577486799 341912034 /nfs/dbraw/zinc/91/20/34/341912034.db2.gz RAJWELYZCICAGB-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001567649003 1160448999 /nfs/dbraw/zinc/44/89/99/1160448999.db2.gz OMPPKUQZOLFWCA-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC ZINC001568859193 1160822971 /nfs/dbraw/zinc/82/29/71/1160822971.db2.gz YAAJOFNDZRWXBM-MEWZEZIVSA-N 1 3 310.442 0.257 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC ZINC001568859193 1160822981 /nfs/dbraw/zinc/82/29/81/1160822981.db2.gz YAAJOFNDZRWXBM-MEWZEZIVSA-N 1 3 310.442 0.257 20 0 DCADHO CCN1CCN(CCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000366011959 521680129 /nfs/dbraw/zinc/68/01/29/521680129.db2.gz UWOLWZRBJPEVCG-UHFFFAOYSA-N 1 3 308.470 0.759 20 0 DCADHO COc1cc(CNC(=O)[C@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000237354849 522431325 /nfs/dbraw/zinc/43/13/25/522431325.db2.gz RETPJPPMYVSKSU-AWEZNQCLSA-N 1 3 321.421 0.861 20 0 DCADHO C[C@@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366322077 524983606 /nfs/dbraw/zinc/98/36/06/524983606.db2.gz INGBUYPFJHGAGU-CQSZACIVSA-N 1 3 310.486 0.988 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N(C)C)o1)[NH+](C)C ZINC000268749873 545989562 /nfs/dbraw/zinc/98/95/62/545989562.db2.gz HCAMLXDZELSMJM-TXEJJXNPSA-N 1 3 324.425 0.639 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)o1)N(C)C ZINC000268749873 545989564 /nfs/dbraw/zinc/98/95/64/545989564.db2.gz HCAMLXDZELSMJM-TXEJJXNPSA-N 1 3 324.425 0.639 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCSC1 ZINC000417813321 546245085 /nfs/dbraw/zinc/24/50/85/546245085.db2.gz GGMVOMYITABZQS-SCRDCRAPSA-N 1 3 300.472 0.993 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529299260 546287260 /nfs/dbraw/zinc/28/72/60/546287260.db2.gz LSWLRLZFWKEZJF-CQSZACIVSA-N 1 3 310.442 0.681 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000655297155 546363514 /nfs/dbraw/zinc/36/35/14/546363514.db2.gz FEZLEOHMPZGRCT-JKSUJKDBSA-N 1 3 303.406 0.639 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H](O)C1CC1 ZINC000665760119 546394530 /nfs/dbraw/zinc/39/45/30/546394530.db2.gz ZOUJBXUPZXGLAT-ZFWWWQNUSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H](O)C1CC1 ZINC000665760119 546394535 /nfs/dbraw/zinc/39/45/35/546394535.db2.gz ZOUJBXUPZXGLAT-ZFWWWQNUSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000665761504 546394725 /nfs/dbraw/zinc/39/47/25/546394725.db2.gz GPQCZIXPGDGSOJ-ILXRZTDVSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000665761504 546394728 /nfs/dbraw/zinc/39/47/28/546394728.db2.gz GPQCZIXPGDGSOJ-ILXRZTDVSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1CO ZINC000665759093 546395600 /nfs/dbraw/zinc/39/56/00/546395600.db2.gz ZGTXYPHGUYXBNB-UONOGXRCSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1CO ZINC000665759093 546395604 /nfs/dbraw/zinc/39/56/04/546395604.db2.gz ZGTXYPHGUYXBNB-UONOGXRCSA-N 1 3 300.447 0.425 20 0 DCADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](C)O ZINC000665764075 546396556 /nfs/dbraw/zinc/39/65/56/546396556.db2.gz TWYZQHATZRXOGT-MJBXVCDLSA-N 1 3 302.463 0.717 20 0 DCADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](C)O ZINC000665764075 546396559 /nfs/dbraw/zinc/39/65/59/546396559.db2.gz TWYZQHATZRXOGT-MJBXVCDLSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC(C)(C)CO ZINC000665764215 546399125 /nfs/dbraw/zinc/39/91/25/546399125.db2.gz YFKTUDXDNRUFMB-AWEZNQCLSA-N 1 3 316.490 0.918 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC(C)(C)CO ZINC000665764215 546399129 /nfs/dbraw/zinc/39/91/29/546399129.db2.gz YFKTUDXDNRUFMB-AWEZNQCLSA-N 1 3 316.490 0.918 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666663869 546494702 /nfs/dbraw/zinc/49/47/02/546494702.db2.gz UCCVUUWUSXXBKD-PBHICJAKSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666663869 546494705 /nfs/dbraw/zinc/49/47/05/546494705.db2.gz UCCVUUWUSXXBKD-PBHICJAKSA-N 1 3 324.469 0.759 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN)c1 ZINC000667098886 546555232 /nfs/dbraw/zinc/55/52/32/546555232.db2.gz GMMWUHXYHXLLNY-UHFFFAOYSA-N 1 3 306.410 0.884 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CCO1 ZINC000669418849 546968515 /nfs/dbraw/zinc/96/85/15/546968515.db2.gz UPOXIMINCMZERO-RBSFLKMASA-N 1 3 312.458 0.864 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCSC1 ZINC000669514779 546982135 /nfs/dbraw/zinc/98/21/35/546982135.db2.gz HTOWCPPGKMWALQ-GUTXKFCHSA-N 1 3 312.483 0.817 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000669508902 546982228 /nfs/dbraw/zinc/98/22/28/546982228.db2.gz VHWVHJMHDHKLQJ-OCCSQVGLSA-N 1 3 307.394 0.580 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000669508903 546982388 /nfs/dbraw/zinc/98/23/88/546982388.db2.gz VHWVHJMHDHKLQJ-TZMCWYRMSA-N 1 3 307.394 0.580 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCO1 ZINC000669570919 546992650 /nfs/dbraw/zinc/99/26/50/546992650.db2.gz QPXPSQLYAWNJFW-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCO1 ZINC000669570927 546992972 /nfs/dbraw/zinc/99/29/72/546992972.db2.gz RGUGIJFPMFVHEI-OWCLPIDISA-N 1 3 324.469 0.738 20 0 DCADHO O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000670783200 547129748 /nfs/dbraw/zinc/12/97/48/547129748.db2.gz VOAFRHGLFWMLGS-OAHLLOKOSA-N 1 3 320.437 0.036 20 0 DCADHO CCN1C[C@H](NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000672013877 547312695 /nfs/dbraw/zinc/31/26/95/547312695.db2.gz OMTVOCHLILLFQY-YDHLFZDLSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672305886 547347087 /nfs/dbraw/zinc/34/70/87/547347087.db2.gz HXYSTFROHMGPQD-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677904504 547918408 /nfs/dbraw/zinc/91/84/08/547918408.db2.gz RBBAARKUGBQXBA-NVXWUHKLSA-N 1 3 318.465 0.843 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](N[C@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC000678770226 548002778 /nfs/dbraw/zinc/00/27/78/548002778.db2.gz FADNXZJCKXEWEH-KBPBESRZSA-N 1 3 315.483 0.322 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C)C1=O ZINC000681514960 548255705 /nfs/dbraw/zinc/25/57/05/548255705.db2.gz HPCICKBUUIOQLF-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C)C1=O ZINC000681514960 548255710 /nfs/dbraw/zinc/25/57/10/548255710.db2.gz HPCICKBUUIOQLF-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCCS(N)(=O)=O)[C@H](C)C1 ZINC000682535720 548396861 /nfs/dbraw/zinc/39/68/61/548396861.db2.gz HJSCJXBTCQIUSX-KGLIPLIRSA-N 1 3 321.487 0.392 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCCS(N)(=O)=O)[C@H](C)C1 ZINC000682535720 548396864 /nfs/dbraw/zinc/39/68/64/548396864.db2.gz HJSCJXBTCQIUSX-KGLIPLIRSA-N 1 3 321.487 0.392 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCCS(N)(=O)=O)[C@H](C)C1 ZINC000682535722 548397099 /nfs/dbraw/zinc/39/70/99/548397099.db2.gz HJSCJXBTCQIUSX-ZIAGYGMSSA-N 1 3 321.487 0.392 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCCS(N)(=O)=O)[C@H](C)C1 ZINC000682535722 548397102 /nfs/dbraw/zinc/39/71/02/548397102.db2.gz HJSCJXBTCQIUSX-ZIAGYGMSSA-N 1 3 321.487 0.392 20 0 DCADHO C[C@@](O)(C[NH2+]C[C@@H](O)CN1CCCC1)C(F)(F)C(F)(F)F ZINC000905346422 663547512 /nfs/dbraw/zinc/54/75/12/663547512.db2.gz QISBXULZOZARTP-NXEZZACHSA-N 1 3 320.302 0.981 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CCN2CC2CC2)cn1 ZINC001038810749 660882519 /nfs/dbraw/zinc/88/25/19/660882519.db2.gz RIXIHGIFOQLIFX-HNNXBMFYSA-N 1 3 305.426 0.659 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccn(C)n2)CN1C(=O)CN1CCCC1 ZINC000980799757 661015654 /nfs/dbraw/zinc/01/56/54/661015654.db2.gz LENLPNZZSQALBP-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)CC[N@@H+]1C ZINC000981778571 661215524 /nfs/dbraw/zinc/21/55/24/661215524.db2.gz NOYHWKSJGAIKGW-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)CC[N@H+]1C ZINC000981778571 661215526 /nfs/dbraw/zinc/21/55/26/661215526.db2.gz NOYHWKSJGAIKGW-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000981843393 661232853 /nfs/dbraw/zinc/23/28/53/661232853.db2.gz ZWPBNSNZGRMWRR-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000981843393 661232855 /nfs/dbraw/zinc/23/28/55/661232855.db2.gz ZWPBNSNZGRMWRR-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998266277 665426265 /nfs/dbraw/zinc/42/62/65/665426265.db2.gz PQIALXNBIUWNCE-ZDUSSCGKSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998266277 665426266 /nfs/dbraw/zinc/42/62/66/665426266.db2.gz PQIALXNBIUWNCE-ZDUSSCGKSA-N 1 3 323.466 0.818 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998547994 665478410 /nfs/dbraw/zinc/47/84/10/665478410.db2.gz FDKZJTNXGCVIKN-NRXISQOPSA-N 1 3 305.426 0.593 20 0 DCADHO CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000891547938 657473433 /nfs/dbraw/zinc/47/34/33/657473433.db2.gz RYMCJOFLFGBGNK-JKSUJKDBSA-N 1 3 324.469 0.711 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001023128525 657539540 /nfs/dbraw/zinc/53/95/40/657539540.db2.gz ILCKFIJRHACMJD-LJISPDSOSA-N 1 3 322.453 0.328 20 0 DCADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1)C1CCC1 ZINC000971686261 657562266 /nfs/dbraw/zinc/56/22/66/657562266.db2.gz BLENPVGMDGWSNP-INIZCTEOSA-N 1 3 319.453 0.900 20 0 DCADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1)C1CCC1 ZINC000971686261 657562273 /nfs/dbraw/zinc/56/22/73/657562273.db2.gz BLENPVGMDGWSNP-INIZCTEOSA-N 1 3 319.453 0.900 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000891635731 657569645 /nfs/dbraw/zinc/56/96/45/657569645.db2.gz UHNNKFOZTUKSFL-HDJSIYSDSA-N 1 3 312.458 0.912 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490061 657571422 /nfs/dbraw/zinc/57/14/22/657571422.db2.gz JTPLUFBJKZDQGA-OAHLLOKOSA-N 1 3 317.437 0.515 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)O ZINC001021448315 657813872 /nfs/dbraw/zinc/81/38/72/657813872.db2.gz OYHHILPBYZYKSD-NDNKKMJESA-N 1 3 306.410 0.753 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001021448315 657813880 /nfs/dbraw/zinc/81/38/80/657813880.db2.gz OYHHILPBYZYKSD-NDNKKMJESA-N 1 3 306.410 0.753 20 0 DCADHO CN1CCN(CCNC(=O)N2C3CCC2(C[NH3+])CC3)CC1(C)C ZINC000891881284 657871784 /nfs/dbraw/zinc/87/17/84/657871784.db2.gz VJHGYKKZLKIKHJ-UHFFFAOYSA-N 1 3 323.485 0.678 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970787527 657908274 /nfs/dbraw/zinc/90/82/74/657908274.db2.gz AOCWWHRLOMDLCK-OAHLLOKOSA-N 1 3 319.453 0.987 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)n[nH]1 ZINC000970792513 657910700 /nfs/dbraw/zinc/91/07/00/657910700.db2.gz MFQRZJAMSKPDNQ-CQSZACIVSA-N 1 3 320.441 0.680 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970797069 657914072 /nfs/dbraw/zinc/91/40/72/657914072.db2.gz XEFSIWQLXASBKQ-CYBMUJFWSA-N 1 3 304.394 0.038 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000970801339 657915713 /nfs/dbraw/zinc/91/57/13/657915713.db2.gz XZQNANOVDDAEJJ-HZPDHXFCSA-N 1 3 319.453 0.948 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1Cc2ccccc2CN1 ZINC000892001957 658096304 /nfs/dbraw/zinc/09/63/04/658096304.db2.gz YILSRWNUAKSUOY-XJKSGUPXSA-N 1 3 302.422 1.000 20 0 DCADHO C[N@H+](CC1CC1)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971969155 658105742 /nfs/dbraw/zinc/10/57/42/658105742.db2.gz KVAYBIREZCIGCR-GARNVTTQSA-N 1 3 319.449 0.792 20 0 DCADHO C[N@@H+](CC1CC1)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971969155 658105747 /nfs/dbraw/zinc/10/57/47/658105747.db2.gz KVAYBIREZCIGCR-GARNVTTQSA-N 1 3 319.449 0.792 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020588797 658158958 /nfs/dbraw/zinc/15/89/58/658158958.db2.gz MTCOQWLNNZQLAD-DAXOMENPSA-N 1 3 319.453 0.807 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCOC3)C2)C1 ZINC001020589119 658160638 /nfs/dbraw/zinc/16/06/38/658160638.db2.gz XJQGMLUTYIUQIZ-QKPAOTATSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001020589241 658160887 /nfs/dbraw/zinc/16/08/87/658160887.db2.gz ZWNRJCJVPALQIB-BPUTZDHNSA-N 1 3 319.453 0.541 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)C1=O ZINC001020586398 658162395 /nfs/dbraw/zinc/16/23/95/658162395.db2.gz NKNMQSPYHMKUJS-ZQDZILKHSA-N 1 3 322.453 0.328 20 0 DCADHO COCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679867 658212961 /nfs/dbraw/zinc/21/29/61/658212961.db2.gz SZUADSNFYJDWHO-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO COCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679867 658212964 /nfs/dbraw/zinc/21/29/64/658212964.db2.gz SZUADSNFYJDWHO-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998993963 665559842 /nfs/dbraw/zinc/55/98/42/665559842.db2.gz HUBYMGAKNILDTF-AVVWSFFYSA-N 1 3 319.453 0.983 20 0 DCADHO [NH3+][C@H](CCNC(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000892181431 658271765 /nfs/dbraw/zinc/27/17/65/658271765.db2.gz SJCAMTCQNMZMKA-CABCVRRESA-N 1 3 306.410 0.234 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001023890489 658299425 /nfs/dbraw/zinc/29/94/25/658299425.db2.gz ATJMYRHFCFXBND-OCCSQVGLSA-N 1 3 323.466 0.961 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972732661 658359715 /nfs/dbraw/zinc/35/97/15/658359715.db2.gz LMWKEUAOCRNTQQ-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972732661 658359725 /nfs/dbraw/zinc/35/97/25/658359725.db2.gz LMWKEUAOCRNTQQ-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)C1 ZINC001022716039 658368840 /nfs/dbraw/zinc/36/88/40/658368840.db2.gz PYYHVRLKNYEUTD-APIJFGDWSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022721429 658392676 /nfs/dbraw/zinc/39/26/76/658392676.db2.gz XCEVYCCQWJTJJO-BSLXNSKLSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022721429 658392689 /nfs/dbraw/zinc/39/26/89/658392689.db2.gz XCEVYCCQWJTJJO-BSLXNSKLSA-N 1 3 306.410 0.918 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517856 665584895 /nfs/dbraw/zinc/58/48/95/665584895.db2.gz JTZGEHXXKNQHCQ-WCVJEAGWSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517856 665584896 /nfs/dbraw/zinc/58/48/96/665584896.db2.gz JTZGEHXXKNQHCQ-WCVJEAGWSA-N 1 3 309.454 0.632 20 0 DCADHO C[N@H+](CCO)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972332341 658577053 /nfs/dbraw/zinc/57/70/53/658577053.db2.gz BSLUDHUKFWRNAG-BBRMVZONSA-N 1 3 315.433 0.724 20 0 DCADHO C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972332341 658577055 /nfs/dbraw/zinc/57/70/55/658577055.db2.gz BSLUDHUKFWRNAG-BBRMVZONSA-N 1 3 315.433 0.724 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001020980665 658647221 /nfs/dbraw/zinc/64/72/21/658647221.db2.gz QHJQHYMUFXSAMI-IHRRRGAJSA-N 1 3 306.410 0.924 20 0 DCADHO CC[NH+](CC)CCOCCN[C@@H]1C(=O)NCC12CCOCC2 ZINC000926150159 658656117 /nfs/dbraw/zinc/65/61/17/658656117.db2.gz ITZIHUZHJHLUON-CQSZACIVSA-N 1 3 313.442 0.230 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000924436373 658669392 /nfs/dbraw/zinc/66/93/92/658669392.db2.gz BEWAELVISGGILQ-HUUCEWRRSA-N 1 3 318.421 0.641 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CNC2 ZINC000317230419 658707833 /nfs/dbraw/zinc/70/78/33/658707833.db2.gz CWODFOBZLXETOS-HZPDHXFCSA-N 1 3 301.390 0.883 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CNC2 ZINC000317230419 658707836 /nfs/dbraw/zinc/70/78/36/658707836.db2.gz CWODFOBZLXETOS-HZPDHXFCSA-N 1 3 301.390 0.883 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3cncc(F)c3)C2)C1 ZINC001021047696 658727005 /nfs/dbraw/zinc/72/70/05/658727005.db2.gz LSTBUVHTJJLFSC-QEJZJMRPSA-N 1 3 306.385 0.909 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3cncc(F)c3)C2)C1 ZINC001021047696 658727007 /nfs/dbraw/zinc/72/70/07/658727007.db2.gz LSTBUVHTJJLFSC-QEJZJMRPSA-N 1 3 306.385 0.909 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981359 658891143 /nfs/dbraw/zinc/89/11/43/658891143.db2.gz LNGSCXFDXQWRBS-OKILXGFUSA-N 1 3 304.394 0.816 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926174191 658891157 /nfs/dbraw/zinc/89/11/57/658891157.db2.gz QJOSDTBFGNVCEW-TXCZRRACSA-N 1 3 311.470 0.924 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926174191 658891161 /nfs/dbraw/zinc/89/11/61/658891161.db2.gz QJOSDTBFGNVCEW-TXCZRRACSA-N 1 3 311.470 0.924 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891513538 658898191 /nfs/dbraw/zinc/89/81/91/658898191.db2.gz DNKSPZUSTFHASG-KBUPBQIOSA-N 1 3 308.426 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CCN(c2cc[nH+]cc2CO)CC1 ZINC000892330584 658899983 /nfs/dbraw/zinc/89/99/83/658899983.db2.gz KKDGRJQRYNJJLH-UHFFFAOYSA-N 1 3 306.410 0.564 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)CN(C)C ZINC000926469157 658901560 /nfs/dbraw/zinc/90/15/60/658901560.db2.gz FXMACGCWMWAYRN-OLZOCXBDSA-N 1 3 305.488 0.834 20 0 DCADHO CCC1([NH3+])CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000891514384 658902851 /nfs/dbraw/zinc/90/28/51/658902851.db2.gz QCLMCJYPAQUQAC-UONOGXRCSA-N 1 3 310.442 0.763 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC000999347252 665633245 /nfs/dbraw/zinc/63/32/45/665633245.db2.gz HYKDTEPNCXZYAK-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC000999363424 665637050 /nfs/dbraw/zinc/63/70/50/665637050.db2.gz HKANRXOSTOCKQO-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027170883 659056727 /nfs/dbraw/zinc/05/67/27/659056727.db2.gz PYKWTZBNQBGCCL-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027170883 659056732 /nfs/dbraw/zinc/05/67/32/659056732.db2.gz PYKWTZBNQBGCCL-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217898 659090079 /nfs/dbraw/zinc/09/00/79/659090079.db2.gz RSIJMAQWDULGKY-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO Cn1cc(CNC[C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001025159565 659091426 /nfs/dbraw/zinc/09/14/26/659091426.db2.gz GLKZWGFTDUFUSO-JKSUJKDBSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CNC[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001025159565 659091427 /nfs/dbraw/zinc/09/14/27/659091427.db2.gz GLKZWGFTDUFUSO-JKSUJKDBSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC000893221578 659109203 /nfs/dbraw/zinc/10/92/03/659109203.db2.gz NDSZUYDKCRGLMA-WCVJEAGWSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC000893221578 659109207 /nfs/dbraw/zinc/10/92/07/659109207.db2.gz NDSZUYDKCRGLMA-WCVJEAGWSA-N 1 3 324.469 0.710 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001027333872 659270981 /nfs/dbraw/zinc/27/09/81/659270981.db2.gz FBPPPLJLADMQQM-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027333872 659270986 /nfs/dbraw/zinc/27/09/86/659270986.db2.gz FBPPPLJLADMQQM-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001019397308 659407745 /nfs/dbraw/zinc/40/77/45/659407745.db2.gz SUBPOBLVJPHBLI-GJZGRUSLSA-N 1 3 307.442 0.759 20 0 DCADHO Cn1ccnc1CNC1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001026605301 659410481 /nfs/dbraw/zinc/41/04/81/659410481.db2.gz KQRXBPQXTFTEFX-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CNC1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026605301 659410485 /nfs/dbraw/zinc/41/04/85/659410485.db2.gz KQRXBPQXTFTEFX-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892818358 659471612 /nfs/dbraw/zinc/47/16/12/659471612.db2.gz KKUCTFUDSSQWOE-KFWWJZLASA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892818358 659471614 /nfs/dbraw/zinc/47/16/14/659471614.db2.gz KKUCTFUDSSQWOE-KFWWJZLASA-N 1 3 310.442 0.491 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892854839 659486397 /nfs/dbraw/zinc/48/63/97/659486397.db2.gz NYDAOKVGJUPJFU-UHFFFAOYSA-N 1 3 313.490 0.829 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000892943868 659541611 /nfs/dbraw/zinc/54/16/11/659541611.db2.gz LHKHUAFICUMMJQ-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000892943868 659541615 /nfs/dbraw/zinc/54/16/15/659541615.db2.gz LHKHUAFICUMMJQ-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]21 ZINC001025808958 659568060 /nfs/dbraw/zinc/56/80/60/659568060.db2.gz CUFZNKIHXKOUJB-OWYFMNJBSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]21 ZINC001025808958 659568062 /nfs/dbraw/zinc/56/80/62/659568062.db2.gz CUFZNKIHXKOUJB-OWYFMNJBSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]21 ZINC001025809042 659568116 /nfs/dbraw/zinc/56/81/16/659568116.db2.gz RJEXBMPGCBQAMM-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]21 ZINC001025809042 659568118 /nfs/dbraw/zinc/56/81/18/659568118.db2.gz RJEXBMPGCBQAMM-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001019774674 659612953 /nfs/dbraw/zinc/61/29/53/659612953.db2.gz CXYHWWQPTMXUFI-CABCVRRESA-N 1 3 322.453 0.189 20 0 DCADHO CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498951 659629404 /nfs/dbraw/zinc/62/94/04/659629404.db2.gz ROIXKSYBICKKRI-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498951 659629408 /nfs/dbraw/zinc/62/94/08/659629408.db2.gz ROIXKSYBICKKRI-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000999849063 665691606 /nfs/dbraw/zinc/69/16/06/665691606.db2.gz PZMZLURRJJIHCO-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000999849063 665691608 /nfs/dbraw/zinc/69/16/08/665691608.db2.gz PZMZLURRJJIHCO-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001026916552 659641592 /nfs/dbraw/zinc/64/15/92/659641592.db2.gz KBOJFEQGJVMPIU-TZMCWYRMSA-N 1 3 308.430 0.093 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001026916436 659641637 /nfs/dbraw/zinc/64/16/37/659641637.db2.gz IGHVWPKJJYUEES-DZGCQCFKSA-N 1 3 322.457 0.576 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001026965686 659680335 /nfs/dbraw/zinc/68/03/35/659680335.db2.gz YNNAKNGNCJVKOT-VUGNNNGISA-N 1 3 319.449 0.698 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001026965685 659680344 /nfs/dbraw/zinc/68/03/44/659680344.db2.gz YNNAKNGNCJVKOT-UERKLNTKSA-N 1 3 319.449 0.698 20 0 DCADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999831935 665695485 /nfs/dbraw/zinc/69/54/85/665695485.db2.gz OEMQANFMURLTFX-QQFBHYJXSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999831935 665695486 /nfs/dbraw/zinc/69/54/86/665695486.db2.gz OEMQANFMURLTFX-QQFBHYJXSA-N 1 3 317.437 0.816 20 0 DCADHO CN1CCC(O)(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893042960 659702601 /nfs/dbraw/zinc/70/26/01/659702601.db2.gz XKIWPTRPOWXHDI-QWHCGFSZSA-N 1 3 302.390 0.666 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001027063416 659759824 /nfs/dbraw/zinc/75/98/24/659759824.db2.gz KXYOEZIWVBVJFL-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]32)C1 ZINC001026043587 659760221 /nfs/dbraw/zinc/76/02/21/659760221.db2.gz PTPXZBCQDSHNJC-YXISZKLHSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@H]32)C1 ZINC001026043587 659760224 /nfs/dbraw/zinc/76/02/24/659760224.db2.gz PTPXZBCQDSHNJC-YXISZKLHSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccnn3C)C2)C1 ZINC001027064545 659762880 /nfs/dbraw/zinc/76/28/80/659762880.db2.gz GSPZDDQWXKXEFZ-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO O=C(NC[C@@H]1CCN1CC1CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534844 665765299 /nfs/dbraw/zinc/76/52/99/665765299.db2.gz HYFRRFWMWCKAJQ-KRIMKBQASA-N 1 3 305.422 0.450 20 0 DCADHO O=C(NC[C@@H]1CCN1CC1CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534844 665765302 /nfs/dbraw/zinc/76/53/02/665765302.db2.gz HYFRRFWMWCKAJQ-KRIMKBQASA-N 1 3 305.422 0.450 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001000221630 665787678 /nfs/dbraw/zinc/78/76/78/665787678.db2.gz ZSPPLHAKBTXLQQ-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698413 661765808 /nfs/dbraw/zinc/76/58/08/661765808.db2.gz JFRFHXVVPFXBMU-GJEMEMOUSA-N 1 3 307.438 0.698 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698413 661765809 /nfs/dbraw/zinc/76/58/09/661765809.db2.gz JFRFHXVVPFXBMU-GJEMEMOUSA-N 1 3 307.438 0.698 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CCO)C2)c1 ZINC001029001303 661928962 /nfs/dbraw/zinc/92/89/62/661928962.db2.gz UMWNTUUOSPUYRD-OAHLLOKOSA-N 1 3 305.422 0.792 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)c1 ZINC001029001303 661928964 /nfs/dbraw/zinc/92/89/64/661928964.db2.gz UMWNTUUOSPUYRD-OAHLLOKOSA-N 1 3 305.422 0.792 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000390544 665834011 /nfs/dbraw/zinc/83/40/11/665834011.db2.gz QJEQSHMAQUQIQE-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000895841801 662221674 /nfs/dbraw/zinc/22/16/74/662221674.db2.gz SYWOEVCEXHPXKW-JYJNAYRXSA-N 1 3 324.469 0.711 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000895841801 662221676 /nfs/dbraw/zinc/22/16/76/662221676.db2.gz SYWOEVCEXHPXKW-JYJNAYRXSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC000984807950 662317604 /nfs/dbraw/zinc/31/76/04/662317604.db2.gz KJVSWCLBKZOBOQ-BYNQJWBRSA-N 1 3 323.466 0.720 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC000984807950 662317606 /nfs/dbraw/zinc/31/76/06/662317606.db2.gz KJVSWCLBKZOBOQ-BYNQJWBRSA-N 1 3 323.466 0.720 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCOC3)C2)C1 ZINC000984802501 662318304 /nfs/dbraw/zinc/31/83/04/662318304.db2.gz BFWFFDMPTHXXIL-FZKCQIBNSA-N 1 3 309.454 0.849 20 0 DCADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000985122828 662371400 /nfs/dbraw/zinc/37/14/00/662371400.db2.gz FRVYULFNXOZHCG-IHRRRGAJSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1ncc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000985122828 662371402 /nfs/dbraw/zinc/37/14/02/662371402.db2.gz FRVYULFNXOZHCG-IHRRRGAJSA-N 1 3 306.410 0.919 20 0 DCADHO CN(CC(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1)C1CCC1 ZINC000985468667 662463248 /nfs/dbraw/zinc/46/32/48/662463248.db2.gz YORIGUFPSPGGDP-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1)C1CCC1 ZINC000985468667 662463249 /nfs/dbraw/zinc/46/32/49/662463249.db2.gz YORIGUFPSPGGDP-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CN(Cc1cncn1C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985787473 662512745 /nfs/dbraw/zinc/51/27/45/662512745.db2.gz MBEUIPWLPRIWQE-CQSZACIVSA-N 1 3 319.453 0.795 20 0 DCADHO CN(Cc1cncn1C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985787473 662512747 /nfs/dbraw/zinc/51/27/47/662512747.db2.gz MBEUIPWLPRIWQE-CQSZACIVSA-N 1 3 319.453 0.795 20 0 DCADHO C[C@H]1[C@H](NCc2cnnn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986827260 662622404 /nfs/dbraw/zinc/62/24/04/662622404.db2.gz OOHMYPSABQPPND-SWLSCSKDSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986832816 662623337 /nfs/dbraw/zinc/62/33/37/662623337.db2.gz YIHFUXSNDKAYIG-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cn1 ZINC000987519332 662683228 /nfs/dbraw/zinc/68/32/28/662683228.db2.gz AFVIZMUJMUWADI-CZUORRHYSA-N 1 3 317.437 0.960 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cn1 ZINC000987519328 662684302 /nfs/dbraw/zinc/68/43/02/662684302.db2.gz AFVIZMUJMUWADI-BBRMVZONSA-N 1 3 317.437 0.960 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000897559084 662902520 /nfs/dbraw/zinc/90/25/20/662902520.db2.gz QVSXPFIJQALOCP-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000897559084 662902522 /nfs/dbraw/zinc/90/25/22/662902522.db2.gz QVSXPFIJQALOCP-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO CC[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729584831 662904017 /nfs/dbraw/zinc/90/40/17/662904017.db2.gz KPPPVJVCDNSFOX-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000729620384 662905972 /nfs/dbraw/zinc/90/59/72/662905972.db2.gz QVXPAZFNEXIBAC-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000729620384 662905973 /nfs/dbraw/zinc/90/59/73/662905973.db2.gz QVXPAZFNEXIBAC-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989393208 662909389 /nfs/dbraw/zinc/90/93/89/662909389.db2.gz YSUKALYLENTUCX-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000925321649 662956265 /nfs/dbraw/zinc/95/62/65/662956265.db2.gz AERHKDGRNYVKTR-ZBFHGGJFSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@H+]1C ZINC000925321649 662956266 /nfs/dbraw/zinc/95/62/66/662956266.db2.gz AERHKDGRNYVKTR-ZBFHGGJFSA-N 1 3 324.469 0.833 20 0 DCADHO C[NH+](C)C1(CN2C(=O)N[C@H](CN3CCCCC3)C2=O)CCC1 ZINC000924667759 663075359 /nfs/dbraw/zinc/07/53/59/663075359.db2.gz NNKHSNCTFLVGDZ-CYBMUJFWSA-N 1 3 308.426 0.877 20 0 DCADHO C[C@H](NC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000899265001 663133845 /nfs/dbraw/zinc/13/38/45/663133845.db2.gz PWHBUWWNQRXBIT-JSGCOSHPSA-N 1 3 309.458 0.842 20 0 DCADHO C[C@H](NC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000899265000 663133853 /nfs/dbraw/zinc/13/38/53/663133853.db2.gz PWHBUWWNQRXBIT-GXTWGEPZSA-N 1 3 309.458 0.842 20 0 DCADHO CCO[C@@H](CNC(=S)NC1CCN(C)CC1)C[NH+](C)C ZINC000899566712 663153439 /nfs/dbraw/zinc/15/34/39/663153439.db2.gz RIJVJSNPDPHNKV-ZDUSSCGKSA-N 1 3 302.488 0.511 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000938193706 663155219 /nfs/dbraw/zinc/15/52/19/663155219.db2.gz SXFHBHMNCAJRCG-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCC[N@H+](CCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900208794 663225867 /nfs/dbraw/zinc/22/58/67/663225867.db2.gz MSWZZUNHNRXXEV-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900208794 663225868 /nfs/dbraw/zinc/22/58/68/663225868.db2.gz MSWZZUNHNRXXEV-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000900439468 663244207 /nfs/dbraw/zinc/24/42/07/663244207.db2.gz HPIFURQLCQEZRX-UONOGXRCSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900439468 663244209 /nfs/dbraw/zinc/24/42/09/663244209.db2.gz HPIFURQLCQEZRX-UONOGXRCSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900439468 663244211 /nfs/dbraw/zinc/24/42/11/663244211.db2.gz HPIFURQLCQEZRX-UONOGXRCSA-N 1 3 321.425 0.038 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccnn1CCN(C)C ZINC000900818767 663284883 /nfs/dbraw/zinc/28/48/83/663284883.db2.gz HQFZGRODMOTSFB-KBPBESRZSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnn1CCN(C)C ZINC000900818767 663284885 /nfs/dbraw/zinc/28/48/85/663284885.db2.gz HQFZGRODMOTSFB-KBPBESRZSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@@H](CN1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506932 663457048 /nfs/dbraw/zinc/45/70/48/663457048.db2.gz GBYDYODDIOHKFG-RYQLBKOJSA-N 1 3 322.497 0.608 20 0 DCADHO C[C@@H](CN1CCOCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506932 663457049 /nfs/dbraw/zinc/45/70/49/663457049.db2.gz GBYDYODDIOHKFG-RYQLBKOJSA-N 1 3 322.497 0.608 20 0 DCADHO O=C1CCCN1C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728946 663476108 /nfs/dbraw/zinc/47/61/08/663476108.db2.gz HYUSTGBSZYDXRP-WBVHZDCISA-N 1 3 307.438 0.842 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1CC[NH3+] ZINC000903736095 663477833 /nfs/dbraw/zinc/47/78/33/663477833.db2.gz UVDKKHRIRXNEKK-RBSFLKMASA-N 1 3 322.453 0.126 20 0 DCADHO CNC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903777710 663483798 /nfs/dbraw/zinc/48/37/98/663483798.db2.gz CSPMIQDEXXZARL-OFQRWUPVSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878853 663492030 /nfs/dbraw/zinc/49/20/30/663492030.db2.gz LQTOUGVCJMZBBA-YTTRVJOFSA-N 1 3 320.481 0.802 20 0 DCADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNCCCOC[C@@H]1CCCO1 ZINC000903922414 663495565 /nfs/dbraw/zinc/49/55/65/663495565.db2.gz WVEFARGYJNXSCT-HOCLYGCPSA-N 1 3 323.441 0.878 20 0 DCADHO FC1(F)CCNC[C@H]1NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919568 663495640 /nfs/dbraw/zinc/49/56/40/663495640.db2.gz ODUKOWVIHILKEW-CMPLNLGQSA-N 1 3 300.357 0.289 20 0 DCADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000904305347 663507755 /nfs/dbraw/zinc/50/77/55/663507755.db2.gz LKCAPSVTQRNKJV-IYBDPMFKSA-N 1 3 308.470 0.744 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904317470 663508089 /nfs/dbraw/zinc/50/80/89/663508089.db2.gz ZAUOVDCJSRJPFZ-QGZVFWFLSA-N 1 3 310.486 0.862 20 0 DCADHO O[C@@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C1(O)CCC1 ZINC000905176014 663539076 /nfs/dbraw/zinc/53/90/76/663539076.db2.gz PLKCGMNJKQGTOG-OAGGEKHMSA-N 1 3 312.454 0.620 20 0 DCADHO CN1CCN(CC[NH2+]C[C@H](O)CCC2(O)CCC2)CC1(C)C ZINC000905247095 663541813 /nfs/dbraw/zinc/54/18/13/663541813.db2.gz MANKINZYJRUBHM-OAHLLOKOSA-N 1 3 313.486 0.658 20 0 DCADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)CC1(O)CCCC1 ZINC000905342044 663550781 /nfs/dbraw/zinc/55/07/81/663550781.db2.gz UFIFMTQWRZOXSV-OAHLLOKOSA-N 1 3 300.443 0.479 20 0 DCADHO O[C@@H]1C[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000905469170 663559732 /nfs/dbraw/zinc/55/97/32/663559732.db2.gz YTBZTLDBOXJLLG-YYIAUSFCSA-N 1 3 306.406 0.097 20 0 DCADHO O[C@@H]1C[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000905469170 663559735 /nfs/dbraw/zinc/55/97/35/663559735.db2.gz YTBZTLDBOXJLLG-YYIAUSFCSA-N 1 3 306.406 0.097 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001000991559 665976834 /nfs/dbraw/zinc/97/68/34/665976834.db2.gz HTMXREDEZQMZLZ-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)CC[N@@H+]1C ZINC000909315180 663794814 /nfs/dbraw/zinc/79/48/14/663794814.db2.gz FSHBZUMHGRCRLI-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)CC[N@H+]1C ZINC000909315180 663794815 /nfs/dbraw/zinc/79/48/15/663794815.db2.gz FSHBZUMHGRCRLI-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCCCC1 ZINC000910956111 663958330 /nfs/dbraw/zinc/95/83/30/663958330.db2.gz GHABCECMLIFCAS-BFHYXJOUSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CCCCC1 ZINC000910947540 663961424 /nfs/dbraw/zinc/96/14/24/663961424.db2.gz ZVQHBWIUYCHEOY-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)N1CCCCC1 ZINC000910947206 663961594 /nfs/dbraw/zinc/96/15/94/663961594.db2.gz VLTJXDWISXPRCA-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911161533 663995673 /nfs/dbraw/zinc/99/56/73/663995673.db2.gz LMTGSCFDTFOUPX-CPUCHLNUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000911162118 663995807 /nfs/dbraw/zinc/99/58/07/663995807.db2.gz PDZZYOGNVHIFOG-HUUCEWRRSA-N 1 3 324.469 0.196 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911162952 663996150 /nfs/dbraw/zinc/99/61/50/663996150.db2.gz URNYDGRJAOWORW-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911163344 663996333 /nfs/dbraw/zinc/99/63/33/663996333.db2.gz WLUAEYCESARRON-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CCC[C@H](C)C1 ZINC000911378695 664040893 /nfs/dbraw/zinc/04/08/93/664040893.db2.gz HMVFYHZQYMFWSO-YJNKXOJESA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911379238 664041280 /nfs/dbraw/zinc/04/12/80/664041280.db2.gz BBTOYMQSNIGYTE-KGLIPLIRSA-N 1 3 312.458 0.004 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000911394979 664046866 /nfs/dbraw/zinc/04/68/66/664046866.db2.gz IIZDSSMYKUYAKP-TUVASFSCSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911495567 664065475 /nfs/dbraw/zinc/06/54/75/664065475.db2.gz YJLJTRIZSLFVST-RDBSUJKOSA-N 1 3 310.442 0.171 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503985 664066548 /nfs/dbraw/zinc/06/65/48/664066548.db2.gz RZHXMWMXUUOHTN-UHFFFAOYSA-N 1 3 324.450 0.246 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000912603661 664191783 /nfs/dbraw/zinc/19/17/83/664191783.db2.gz KKULIKFBWLOPIR-HNNXBMFYSA-N 1 3 303.422 0.581 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000912603661 664191784 /nfs/dbraw/zinc/19/17/84/664191784.db2.gz KKULIKFBWLOPIR-HNNXBMFYSA-N 1 3 303.422 0.581 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991476383 664358354 /nfs/dbraw/zinc/35/83/54/664358354.db2.gz CMXJRECOMVLPEC-ZFWWWQNUSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991476383 664358356 /nfs/dbraw/zinc/35/83/56/664358356.db2.gz CMXJRECOMVLPEC-ZFWWWQNUSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000953905055 664642065 /nfs/dbraw/zinc/64/20/65/664642065.db2.gz PVSSNJMUWKWHKM-LSDHHAIUSA-N 1 3 322.453 0.090 20 0 DCADHO O=S(=O)(C1CNC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000923596428 664717107 /nfs/dbraw/zinc/71/71/07/664717107.db2.gz GLRUUCPGKNSRMY-UHFFFAOYSA-N 1 3 315.483 0.876 20 0 DCADHO O=S(=O)(C1CNC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000923596428 664717108 /nfs/dbraw/zinc/71/71/08/664717108.db2.gz GLRUUCPGKNSRMY-UHFFFAOYSA-N 1 3 315.483 0.876 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1)C1CCC1 ZINC000992719135 664760780 /nfs/dbraw/zinc/76/07/80/664760780.db2.gz ZGZPPYRMBJQRPV-IMJJTQAJSA-N 1 3 309.454 0.680 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000938317312 665334299 /nfs/dbraw/zinc/33/42/99/665334299.db2.gz QKDHJFGBAMGTDO-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000938317312 665334301 /nfs/dbraw/zinc/33/43/01/665334301.db2.gz QKDHJFGBAMGTDO-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938319981 665335519 /nfs/dbraw/zinc/33/55/19/665335519.db2.gz PNIGNTGJFURYQR-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000938319981 665335522 /nfs/dbraw/zinc/33/55/22/665335522.db2.gz PNIGNTGJFURYQR-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000998087413 665397985 /nfs/dbraw/zinc/39/79/85/665397985.db2.gz VUDVKBXWONWHMM-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941544836 666017923 /nfs/dbraw/zinc/01/79/23/666017923.db2.gz BCZBJPQBDNHVLC-UHFFFAOYSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002053501 666130396 /nfs/dbraw/zinc/13/03/96/666130396.db2.gz RRNBATSGBUTDLE-AWEZNQCLSA-N 1 3 322.453 0.174 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001032205729 666440757 /nfs/dbraw/zinc/44/07/57/666440757.db2.gz GWSHPACELQJDIC-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)CC[N@@H+]1C ZINC000922558544 666480926 /nfs/dbraw/zinc/48/09/26/666480926.db2.gz VMAYXYAONXJOBQ-HIFRSBDPSA-N 1 3 304.442 0.411 20 0 DCADHO C[C@@H]1[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)CC[N@H+]1C ZINC000922558544 666480930 /nfs/dbraw/zinc/48/09/30/666480930.db2.gz VMAYXYAONXJOBQ-HIFRSBDPSA-N 1 3 304.442 0.411 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004368855 666525108 /nfs/dbraw/zinc/52/51/08/666525108.db2.gz FVBWIXOIRAFFKC-LSDHHAIUSA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004368855 666525110 /nfs/dbraw/zinc/52/51/10/666525110.db2.gz FVBWIXOIRAFFKC-LSDHHAIUSA-N 1 3 322.453 0.269 20 0 DCADHO COCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800570 666668557 /nfs/dbraw/zinc/66/85/57/666668557.db2.gz FJJXLQJDVLIXJO-OKILXGFUSA-N 1 3 306.410 0.769 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800570 666668560 /nfs/dbraw/zinc/66/85/60/666668560.db2.gz FJJXLQJDVLIXJO-OKILXGFUSA-N 1 3 306.410 0.769 20 0 DCADHO C[NH+]1CCC(C(=O)N2C[C@H](N[C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996248249 666756333 /nfs/dbraw/zinc/75/63/33/666756333.db2.gz MRCNNSCFJCSICR-KBPBESRZSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]([NH2+][C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C)C(N)=O ZINC000996309019 666768876 /nfs/dbraw/zinc/76/88/76/666768876.db2.gz GTPVSUUKGYHEQN-STQMWFEESA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996385446 666780248 /nfs/dbraw/zinc/78/02/48/666780248.db2.gz ICKNUVOTMCDCAD-JSGCOSHPSA-N 1 3 324.469 0.419 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610136 666836967 /nfs/dbraw/zinc/83/69/67/666836967.db2.gz JZXWGXHLHRPYTG-CHWSQXEVSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610136 666836968 /nfs/dbraw/zinc/83/69/68/666836968.db2.gz JZXWGXHLHRPYTG-CHWSQXEVSA-N 1 3 320.441 0.391 20 0 DCADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996618046 666838195 /nfs/dbraw/zinc/83/81/95/666838195.db2.gz WFUZURDCXLPBMQ-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996618046 666838197 /nfs/dbraw/zinc/83/81/97/666838197.db2.gz WFUZURDCXLPBMQ-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCOC)C1 ZINC001033831159 666840685 /nfs/dbraw/zinc/84/06/85/666840685.db2.gz UBGYJYFVNVAWAH-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO COCCN1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399987 666844203 /nfs/dbraw/zinc/84/42/03/666844203.db2.gz WWGDJCUXXIEISB-MRXNPFEDSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+][C@@H]3CCCNC3=O)CC2)CCC1 ZINC000996664597 666853475 /nfs/dbraw/zinc/85/34/75/666853475.db2.gz KQKGBHOINJJWSN-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861571447 666946149 /nfs/dbraw/zinc/94/61/49/666946149.db2.gz CXCQOFSHQOXXFF-ILXRZTDVSA-N 1 3 310.442 0.489 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861571447 666946150 /nfs/dbraw/zinc/94/61/50/666946150.db2.gz CXCQOFSHQOXXFF-ILXRZTDVSA-N 1 3 310.442 0.489 20 0 DCADHO COCCN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015969438 666957291 /nfs/dbraw/zinc/95/72/91/666957291.db2.gz BTOALAPPBDFMJU-MRXNPFEDSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC000997008606 667071819 /nfs/dbraw/zinc/07/18/19/667071819.db2.gz AEHHFIBHERZVSR-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997039351 667085351 /nfs/dbraw/zinc/08/53/51/667085351.db2.gz BZMGKKLWMIHSAG-UHFFFAOYSA-N 1 3 316.409 0.775 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997041526 667085783 /nfs/dbraw/zinc/08/57/83/667085783.db2.gz LGPQBLWZKUFZCU-ZDUSSCGKSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001034736251 667129671 /nfs/dbraw/zinc/12/96/71/667129671.db2.gz UPAQDDRJGGWNCJ-AAVRWANBSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)N1CCCCCC1 ZINC001034749100 667132501 /nfs/dbraw/zinc/13/25/01/667132501.db2.gz GWJPDICOXATPRG-KKUMJFAQSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCN1C ZINC000925341108 667152520 /nfs/dbraw/zinc/15/25/20/667152520.db2.gz FKFUDJGQMVRONV-RBSFLKMASA-N 1 3 312.458 0.831 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)C1=O ZINC001035014530 667215905 /nfs/dbraw/zinc/21/59/05/667215905.db2.gz WYQVGPBGDMGUKZ-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001035052628 667230182 /nfs/dbraw/zinc/23/01/82/667230182.db2.gz SHBVEUGOTQASKP-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001035052220 667230739 /nfs/dbraw/zinc/23/07/39/667230739.db2.gz JLKJXKCAWBEJBO-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(CN1CCCC1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997306725 667244398 /nfs/dbraw/zinc/24/43/98/667244398.db2.gz JPXDOEOPKJCWID-UHFFFAOYSA-N 1 3 305.426 0.560 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000865059839 667300914 /nfs/dbraw/zinc/30/09/14/667300914.db2.gz OLAQQBRATAICBC-HUUCEWRRSA-N 1 3 321.425 0.038 20 0 DCADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000923261412 667485882 /nfs/dbraw/zinc/48/58/82/667485882.db2.gz JPVHEPWDDCRTSA-JKSUJKDBSA-N 1 3 307.438 0.792 20 0 DCADHO Cc1ccc(OC[C@@H](O)CN(C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000923287772 667496860 /nfs/dbraw/zinc/49/68/60/667496860.db2.gz WMRTUEXAWIHRMD-KRWDZBQOSA-N 1 3 321.465 0.880 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884235367 667507309 /nfs/dbraw/zinc/50/73/09/667507309.db2.gz SSUMUUSIKDLNHV-CABCVRRESA-N 1 3 310.486 0.622 20 0 DCADHO COCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000884299269 667518957 /nfs/dbraw/zinc/51/89/57/667518957.db2.gz PMSXXANFRZPYDR-IMJJTQAJSA-N 1 3 323.412 0.999 20 0 DCADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000923416164 667527590 /nfs/dbraw/zinc/52/75/90/667527590.db2.gz TVVWQKHDBWXPOG-JJXSEGSLSA-N 1 3 317.389 0.587 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)nn1 ZINC000923412184 667529587 /nfs/dbraw/zinc/52/95/87/667529587.db2.gz VBJUMFPUZAKDIC-CABCVRRESA-N 1 3 305.357 0.856 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)nn1 ZINC000923412184 667529590 /nfs/dbraw/zinc/52/95/90/667529590.db2.gz VBJUMFPUZAKDIC-CABCVRRESA-N 1 3 305.357 0.856 20 0 DCADHO c1ccc2c(c1)[C@H](C[C@@H]1COCC[NH2+]1)CN2C[C@@H]1CNCCO1 ZINC000923541738 667559062 /nfs/dbraw/zinc/55/90/62/667559062.db2.gz VOJOXBKTRPKMRS-OAGGEKHMSA-N 1 3 317.433 0.957 20 0 DCADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1(C)C ZINC000868407642 667567600 /nfs/dbraw/zinc/56/76/00/667567600.db2.gz ZGGYSCQCIFLLOK-GUYCJALGSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000884776398 667605950 /nfs/dbraw/zinc/60/59/50/667605950.db2.gz RHZBWEZERKAABX-RQJABVFESA-N 1 3 308.426 0.068 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870902493 667771805 /nfs/dbraw/zinc/77/18/05/667771805.db2.gz INRRUFFEJSRWDN-JYJNAYRXSA-N 1 3 310.486 0.894 20 0 DCADHO CC(C)CC[NH+]1CCC(CNS(=O)(=O)C2CNC2)CC1 ZINC000923626825 667788044 /nfs/dbraw/zinc/78/80/44/667788044.db2.gz SIPJHFRSUISVLT-UHFFFAOYSA-N 1 3 303.472 0.636 20 0 DCADHO CCN(C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000887068118 667844787 /nfs/dbraw/zinc/84/47/87/667844787.db2.gz GGTQYFZWSGXQJM-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]3CO)CC2)CC1 ZINC000889151955 667953614 /nfs/dbraw/zinc/95/36/14/667953614.db2.gz IWOUKURVYQHNKG-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873326771 668074030 /nfs/dbraw/zinc/07/40/30/668074030.db2.gz DLMZMEXLJNKDQE-SWLSCSKDSA-N 1 3 306.414 0.518 20 0 DCADHO CN1CCN(c2cc[nH+]cc2NC(=O)CN2CCCC2)CC1 ZINC000874153796 668151980 /nfs/dbraw/zinc/15/19/80/668151980.db2.gz CHFKRYODAQVSMU-UHFFFAOYSA-N 1 3 303.410 0.868 20 0 DCADHO C[C@H]1[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCN1C ZINC000925322677 668297190 /nfs/dbraw/zinc/29/71/90/668297190.db2.gz ALLFJXAFSRNGFD-DZGCQCFKSA-N 1 3 312.458 0.831 20 0 DCADHO CNS(=O)(=O)CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925726638 668343352 /nfs/dbraw/zinc/34/33/52/668343352.db2.gz VDPVUKYTYYWSGC-UONOGXRCSA-N 1 3 303.472 0.684 20 0 DCADHO CNS(=O)(=O)CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925726638 668343348 /nfs/dbraw/zinc/34/33/48/668343348.db2.gz VDPVUKYTYYWSGC-UONOGXRCSA-N 1 3 303.472 0.684 20 0 DCADHO C[C@H]1COC[C@H]1N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925935924 668357800 /nfs/dbraw/zinc/35/78/00/668357800.db2.gz GXUDZMFXOGTXKI-BHYGNILZSA-N 1 3 319.449 0.900 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926358608 668398683 /nfs/dbraw/zinc/39/86/83/668398683.db2.gz BULRAHZQYCRTRO-KRWDZBQOSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CCCN1C ZINC000876732624 668498004 /nfs/dbraw/zinc/49/80/04/668498004.db2.gz BBFOFBFAJQZHKI-KGLIPLIRSA-N 1 3 305.426 0.940 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000876772962 668507463 /nfs/dbraw/zinc/50/74/63/668507463.db2.gz KCZPJWMVWILDEW-CYBMUJFWSA-N 1 3 305.426 0.827 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876782852 668510452 /nfs/dbraw/zinc/51/04/52/668510452.db2.gz WCGGZQOPWHLGHM-SEDCNLEPSA-N 1 3 322.497 0.932 20 0 DCADHO C[C@H](CNC(=O)/C=C\[C@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000876782398 668510500 /nfs/dbraw/zinc/51/05/00/668510500.db2.gz PYUPWSOOYMRBTM-ILNYKDOHSA-N 1 3 308.470 0.542 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000927810362 668511527 /nfs/dbraw/zinc/51/15/27/668511527.db2.gz IOFUWZNWGCPLGA-IUODEOHRSA-N 1 3 318.421 0.719 20 0 DCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876897497 668530779 /nfs/dbraw/zinc/53/07/79/668530779.db2.gz UPZDQFAGINULLW-BBRMVZONSA-N 1 3 319.453 0.612 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C2)cc1 ZINC000877222338 668577987 /nfs/dbraw/zinc/57/79/87/668577987.db2.gz ZEJPBMFVLNHXMH-CVEARBPZSA-N 1 3 304.438 0.574 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC1 ZINC000929935178 668929918 /nfs/dbraw/zinc/92/99/18/668929918.db2.gz NGTGCWJIVHKNQJ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC1 ZINC000929935178 668929922 /nfs/dbraw/zinc/92/99/22/668929922.db2.gz NGTGCWJIVHKNQJ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCC1 ZINC000782570924 669106055 /nfs/dbraw/zinc/10/60/55/669106055.db2.gz XBGYFQIGDJUBES-UONOGXRCSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CN(C[C@H](O)Cn2cccn2)CCN1c1cc[nH+]cc1 ZINC000880262014 669183801 /nfs/dbraw/zinc/18/38/01/669183801.db2.gz RDAGSDIPFFWWCF-ZBFHGGJFSA-N 1 3 301.394 0.850 20 0 DCADHO C[NH+](C)CC1(O)CCN(CCc2ccc(C(N)=O)cc2)CC1 ZINC000931480338 669210219 /nfs/dbraw/zinc/21/02/19/669210219.db2.gz VCSBBMKAOWGXAR-UHFFFAOYSA-N 1 3 305.422 0.717 20 0 DCADHO C[C@H](N)c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000881423712 669341755 /nfs/dbraw/zinc/34/17/55/669341755.db2.gz CNIHUKNLNFMUMK-BBRMVZONSA-N 1 3 301.394 0.935 20 0 DCADHO C[C@H](N)c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000881423712 669341759 /nfs/dbraw/zinc/34/17/59/669341759.db2.gz CNIHUKNLNFMUMK-BBRMVZONSA-N 1 3 301.394 0.935 20 0 DCADHO CC(C)[NH+]1CCN(CCCN2C3CCC2(C(N)=O)CC3)CC1 ZINC000932934772 669440808 /nfs/dbraw/zinc/44/08/08/669440808.db2.gz NUYOOLCKCFQVLB-UHFFFAOYSA-N 1 3 308.470 0.885 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H](C)C1 ZINC000799165063 670046529 /nfs/dbraw/zinc/04/65/29/670046529.db2.gz REVZHNODCGTLSK-MELADBBJSA-N 1 3 311.426 0.518 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCO)C2)C1 ZINC001036820670 670205101 /nfs/dbraw/zinc/20/51/01/670205101.db2.gz MVFSRIYYMHLLJP-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)C1 ZINC001036820670 670205102 /nfs/dbraw/zinc/20/51/02/670205102.db2.gz MVFSRIYYMHLLJP-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000847311595 670534560 /nfs/dbraw/zinc/53/45/60/670534560.db2.gz HEIKFXSIHSLJSP-XQLPTFJDSA-N 1 3 310.442 0.489 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000811874664 670553329 /nfs/dbraw/zinc/55/33/29/670553329.db2.gz FFMWEJKOONKSIX-RRFJBIMHSA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000811874664 670553332 /nfs/dbraw/zinc/55/33/32/670553332.db2.gz FFMWEJKOONKSIX-RRFJBIMHSA-N 1 3 312.458 0.878 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000848615021 670706041 /nfs/dbraw/zinc/70/60/41/670706041.db2.gz ZEQFPKGNUSNYGA-GJZGRUSLSA-N 1 3 324.469 0.755 20 0 DCADHO COc1ccc(CCNC(=[NH2+])NC[C@@]2(O)CCN(C)C2)cc1 ZINC000849019115 670750431 /nfs/dbraw/zinc/75/04/31/670750431.db2.gz JXIHTTLDZOOYEW-INIZCTEOSA-N 1 3 306.410 0.418 20 0 DCADHO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000849523680 670812707 /nfs/dbraw/zinc/81/27/07/670812707.db2.gz XJVJUBPWNAWKNH-HRCADAONSA-N 1 3 319.453 0.666 20 0 DCADHO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000849523680 670812713 /nfs/dbraw/zinc/81/27/13/670812713.db2.gz XJVJUBPWNAWKNH-HRCADAONSA-N 1 3 319.453 0.666 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C[NH+](C)C ZINC000849596549 670824156 /nfs/dbraw/zinc/82/41/56/670824156.db2.gz OZLLKWKJYWWVSS-FVQBIDKESA-N 1 3 321.469 0.769 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NC(C)(C)C[NH+](C)C)cn1 ZINC000849605028 670825279 /nfs/dbraw/zinc/82/52/79/670825279.db2.gz ZQVCSIIEPAGHGM-HUUCEWRRSA-N 1 3 321.469 0.912 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849608334 670825990 /nfs/dbraw/zinc/82/59/90/670825990.db2.gz OLKYDRHFTVZQAP-VNQPRFMTSA-N 1 3 321.469 0.912 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)C2 ZINC000852107927 671089287 /nfs/dbraw/zinc/08/92/87/671089287.db2.gz RSOHVJIVORPUTM-ROUUACIJSA-N 1 3 317.433 0.777 20 0 DCADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@](O)(C(N)=O)c1ccccc1)C2 ZINC000852107927 671089292 /nfs/dbraw/zinc/08/92/92/671089292.db2.gz RSOHVJIVORPUTM-ROUUACIJSA-N 1 3 317.433 0.777 20 0 DCADHO CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000852884001 671184868 /nfs/dbraw/zinc/18/48/68/671184868.db2.gz RRKRZCXNFFKYLA-CABCVRRESA-N 1 3 316.405 0.823 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCCC[NH+]2CCCC2)n1 ZINC000852919191 671194989 /nfs/dbraw/zinc/19/49/89/671194989.db2.gz QZCLAYBKHZNVRN-UHFFFAOYSA-N 1 3 307.398 0.523 20 0 DCADHO CN1CCN(CCCCNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000827004129 671510088 /nfs/dbraw/zinc/51/00/88/671510088.db2.gz AKLZCTZJDHONQE-UHFFFAOYSA-N 1 3 304.438 0.903 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000841790101 671955143 /nfs/dbraw/zinc/95/51/43/671955143.db2.gz UWKYCRINQKFWRB-OXGONZEZSA-N 1 3 322.453 0.537 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000841790509 671955148 /nfs/dbraw/zinc/95/51/48/671955148.db2.gz DLPGMVKGQVRHBF-ZQDZILKHSA-N 1 3 310.442 0.537 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000842014596 671974043 /nfs/dbraw/zinc/97/40/43/671974043.db2.gz CVBIOORGQPGQAW-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N1CCCCC1 ZINC000842016790 671975255 /nfs/dbraw/zinc/97/52/55/671975255.db2.gz YAYOVKHBDUJMKF-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N1CCCCC1 ZINC000842016503 671975283 /nfs/dbraw/zinc/97/52/83/671975283.db2.gz WKTZBQADVDYBHZ-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc2c1CC[NH2+]C2 ZINC000391428133 685262401 /nfs/dbraw/zinc/26/24/01/685262401.db2.gz AMFJLTKMVPUTMX-HUUCEWRRSA-N 1 3 315.417 0.925 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2CCO)C1 ZINC001024477421 693808272 /nfs/dbraw/zinc/80/82/72/693808272.db2.gz LTIHPNBJNFYOKN-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2CCO)C1 ZINC001024477421 693808275 /nfs/dbraw/zinc/80/82/75/693808275.db2.gz LTIHPNBJNFYOKN-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC000955338224 686371313 /nfs/dbraw/zinc/37/13/13/686371313.db2.gz BCAZQLDVWVSPEL-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC000955338224 686371317 /nfs/dbraw/zinc/37/13/17/686371317.db2.gz BCAZQLDVWVSPEL-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+]1CC1CCC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001038534361 694108897 /nfs/dbraw/zinc/10/88/97/694108897.db2.gz GTWRFAGGYKZAHR-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@H]1CC[N@H+]1CC1CCC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001038534361 694108898 /nfs/dbraw/zinc/10/88/98/694108898.db2.gz GTWRFAGGYKZAHR-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1 ZINC000962305664 688878851 /nfs/dbraw/zinc/87/88/51/688878851.db2.gz KEHGZVHKHUHMEB-IYXRBSQSSA-N 1 3 320.441 0.284 20 0 DCADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000962308885 688879740 /nfs/dbraw/zinc/87/97/40/688879740.db2.gz IYVZTRJXDNUWTC-JXQTWKCFSA-N 1 3 322.453 0.091 20 0 DCADHO CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000964418812 689241125 /nfs/dbraw/zinc/24/11/25/689241125.db2.gz OZUCEOARVSOGDL-WOAWNZISSA-N 1 3 319.449 0.887 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965932898 689585791 /nfs/dbraw/zinc/58/57/91/689585791.db2.gz CMMYGJHTJNCDGQ-IZHXIGCISA-N 1 3 309.454 0.869 20 0 DCADHO Cc1nccnc1CN[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000968876999 690411838 /nfs/dbraw/zinc/41/18/38/690411838.db2.gz HBKRQHRJCSPBGQ-CQSZACIVSA-N 1 3 314.393 0.831 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC001007497985 690689361 /nfs/dbraw/zinc/68/93/61/690689361.db2.gz XNNNQHFHDBDELM-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC001007497985 690689363 /nfs/dbraw/zinc/68/93/63/690689363.db2.gz XNNNQHFHDBDELM-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CO[C@@H](C)CN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014475602 692027645 /nfs/dbraw/zinc/02/76/45/692027645.db2.gz XGLAQXIHZOJYFK-UONOGXRCSA-N 1 3 323.441 0.284 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015653526 692380569 /nfs/dbraw/zinc/38/05/69/692380569.db2.gz ONUOCDYTQNFEKG-HNNXBMFYSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016330850 692654484 /nfs/dbraw/zinc/65/44/84/692654484.db2.gz WAEUFQNALFMFCJ-HIFRSBDPSA-N 1 3 305.422 0.933 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016614291 692731896 /nfs/dbraw/zinc/73/18/96/692731896.db2.gz LWBDAOYIGVLSFR-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001019033399 693330406 /nfs/dbraw/zinc/33/04/06/693330406.db2.gz MJBKCGOYXZROKG-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001019034906 693331328 /nfs/dbraw/zinc/33/13/28/693331328.db2.gz SUBPOBLVJPHBLI-LSDHHAIUSA-N 1 3 307.442 0.759 20 0 DCADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019325118 693433307 /nfs/dbraw/zinc/43/33/07/693433307.db2.gz LDTAZSNNGJVPBB-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001019383071 693455677 /nfs/dbraw/zinc/45/56/77/693455677.db2.gz VAYAORNBKUVOSM-BBRMVZONSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001019383071 693455681 /nfs/dbraw/zinc/45/56/81/693455681.db2.gz VAYAORNBKUVOSM-BBRMVZONSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3cnn(C)c3)C2)C1 ZINC001019383061 693456471 /nfs/dbraw/zinc/45/64/71/693456471.db2.gz UNAXFFJBZPHVMS-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3cnn(C)c3)C2)C1 ZINC001019383061 693456477 /nfs/dbraw/zinc/45/64/77/693456477.db2.gz UNAXFFJBZPHVMS-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001019560584 693522247 /nfs/dbraw/zinc/52/22/47/693522247.db2.gz NVVQJJGPROMHBP-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001019652688 693554458 /nfs/dbraw/zinc/55/44/58/693554458.db2.gz SHBMHXYJBNGCPG-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019652688 693554463 /nfs/dbraw/zinc/55/44/63/693554463.db2.gz SHBMHXYJBNGCPG-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC001019812473 693593210 /nfs/dbraw/zinc/59/32/10/693593210.db2.gz QSNNMJUFRHHYFU-OCCSQVGLSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1)C(N)=O ZINC001019812473 693593213 /nfs/dbraw/zinc/59/32/13/693593213.db2.gz QSNNMJUFRHHYFU-OCCSQVGLSA-N 1 3 318.421 0.426 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040869455 694623836 /nfs/dbraw/zinc/62/38/36/694623836.db2.gz IHNXYYPRUJDHBD-UHFFFAOYSA-N 1 3 306.410 0.649 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](C[C@H]2CCOC2)C3)C1 ZINC001072983438 694691219 /nfs/dbraw/zinc/69/12/19/694691219.db2.gz WKJQVTYLWCNBIF-HZPDHXFCSA-N 1 3 321.465 0.899 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCOC2)C3)C1 ZINC001072983438 694691220 /nfs/dbraw/zinc/69/12/20/694691220.db2.gz WKJQVTYLWCNBIF-HZPDHXFCSA-N 1 3 321.465 0.899 20 0 DCADHO O=C(NC[C@@H]1CN(CCCF)CCCO1)C12CC[NH+](CC1)C2 ZINC001073862659 694794033 /nfs/dbraw/zinc/79/40/33/694794033.db2.gz VNQVSCSIVULOAN-CQSZACIVSA-N 1 3 313.417 0.649 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@@H]1C ZINC001074877432 694927898 /nfs/dbraw/zinc/92/78/98/694927898.db2.gz BWHXCHUQRVTYMY-DZKIICNBSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001074882767 694928486 /nfs/dbraw/zinc/92/84/86/694928486.db2.gz BUZCQBKEWRRMCE-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001076596793 695031419 /nfs/dbraw/zinc/03/14/19/695031419.db2.gz QKKVQXHAYQNAGW-XJKSGUPXSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001700160220 1157591363 /nfs/dbraw/zinc/59/13/63/1157591363.db2.gz ADPMOIITXATOFN-QLQVPFRHSA-N 1 3 303.834 0.896 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(CCOCC(F)F)C2)C1 ZINC001691171573 1157605669 /nfs/dbraw/zinc/60/56/69/1157605669.db2.gz WTXARFCIFQENNW-CHWSQXEVSA-N 1 3 319.396 0.658 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(CCOCC(F)F)C2)C1 ZINC001691171573 1157605672 /nfs/dbraw/zinc/60/56/72/1157605672.db2.gz WTXARFCIFQENNW-CHWSQXEVSA-N 1 3 319.396 0.658 20 0 DCADHO C[C@H]([NH3+])C1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC001648970554 1158206368 /nfs/dbraw/zinc/20/63/68/1158206368.db2.gz QDNAUESBVXQTII-IHRRRGAJSA-N 1 3 311.426 0.110 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001719991874 1158346742 /nfs/dbraw/zinc/34/67/42/1158346742.db2.gz GQNAGZNOOHXWGD-UHFFFAOYSA-N 1 3 321.425 0.355 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082106 1158436197 /nfs/dbraw/zinc/43/61/97/1158436197.db2.gz LEKQOSJCUKILQC-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082106 1158436201 /nfs/dbraw/zinc/43/62/01/1158436201.db2.gz LEKQOSJCUKILQC-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001649051737 1158624314 /nfs/dbraw/zinc/62/43/14/1158624314.db2.gz ZRZTWCBSWAMDRX-RYRKJORJSA-N 1 3 315.417 0.443 20 0 DCADHO O=C(N1CC[C@H]2[C@H]1CCCN2CCO)C1(C2CC[NH2+]CC2)CC1 ZINC001649157339 1158835766 /nfs/dbraw/zinc/83/57/66/1158835766.db2.gz NFMJFEQTVBZXIY-JKSUJKDBSA-N 1 3 321.465 0.824 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001446433459 1159412375 /nfs/dbraw/zinc/41/23/75/1159412375.db2.gz KPXNPXKTYHPOPO-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001447648764 1159677903 /nfs/dbraw/zinc/67/79/03/1159677903.db2.gz BBLBSFUWDJYHTB-RWMBFGLXSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccn(C)n1 ZINC001447684583 1159683361 /nfs/dbraw/zinc/68/33/61/1159683361.db2.gz XWYPFWRRDHRDML-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccn(C)n1 ZINC001447684583 1159683363 /nfs/dbraw/zinc/68/33/63/1159683363.db2.gz XWYPFWRRDHRDML-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC1CCN(CC(=O)N(C)CCNC(=O)CC[NH+](C)C)CC1 ZINC001455439768 1159758209 /nfs/dbraw/zinc/75/82/09/1159758209.db2.gz RUHSDTGJZGKJNO-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001566897689 1160180039 /nfs/dbraw/zinc/18/00/39/1160180039.db2.gz YVCGUBIVBUGRAT-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567087997 1160235895 /nfs/dbraw/zinc/23/58/95/1160235895.db2.gz BQEMULIWHRSBGY-CYBMUJFWSA-N 1 3 321.425 0.305 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccnc(OC)c1)N(C)C ZINC001567592551 1160434826 /nfs/dbraw/zinc/43/48/26/1160434826.db2.gz ZGMHMKSKYPDBHJ-CQSZACIVSA-N 1 3 308.426 0.978 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCc1cnn(C)c1 ZINC001568150508 1160585756 /nfs/dbraw/zinc/58/57/56/1160585756.db2.gz STEWWPNYDIVLGU-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1CNCC(N)=O ZINC001568430979 1160646111 /nfs/dbraw/zinc/64/61/11/1160646111.db2.gz CMFUYJWNSKIDOK-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC[C@H]1CCCCO1 ZINC001568589778 1160696483 /nfs/dbraw/zinc/69/64/83/1160696483.db2.gz SVHBOJYSGXEHCA-ZIAGYGMSSA-N 1 3 324.425 0.287 20 0 DCADHO CN(CCCNCc1cc2n(n1)CCC2)C(=O)CC[NH+](C)C ZINC001569235910 1160988922 /nfs/dbraw/zinc/98/89/22/1160988922.db2.gz HXRJYHUMKRUANZ-UHFFFAOYSA-N 1 3 307.442 0.719 20 0 DCADHO Cn1cncc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001569968722 1161357075 /nfs/dbraw/zinc/35/70/75/1161357075.db2.gz NRZUMMHWZNYHHC-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CCCF)C2)C1 ZINC001570290629 1161545401 /nfs/dbraw/zinc/54/54/01/1161545401.db2.gz BPFRUNIDCDCIFD-GDBMZVCRSA-N 1 3 315.433 0.631 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCc1c[nH]nn1)[NH+]1CCCC1 ZINC001575556654 1164059105 /nfs/dbraw/zinc/05/91/05/1164059105.db2.gz ZOUBPDQJWYAPDV-UKRRQHHQSA-N 1 3 322.457 0.862 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N2CCNCC2)C1 ZINC001575601436 1164077036 /nfs/dbraw/zinc/07/70/36/1164077036.db2.gz PLFHXSDSWQVMEO-AWEZNQCLSA-N 1 3 318.487 0.094 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)N2CCNCC2)C1 ZINC001575601436 1164077043 /nfs/dbraw/zinc/07/70/43/1164077043.db2.gz PLFHXSDSWQVMEO-AWEZNQCLSA-N 1 3 318.487 0.094 20 0 DCADHO CC(C)[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001575721866 1164121141 /nfs/dbraw/zinc/12/11/41/1164121141.db2.gz VWERUGIIBMFOPY-AGUYFDCRSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001575832907 1164166196 /nfs/dbraw/zinc/16/61/96/1164166196.db2.gz JTBVUBMNTXYKJP-GOEBONIOSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001575832907 1164166200 /nfs/dbraw/zinc/16/62/00/1164166200.db2.gz JTBVUBMNTXYKJP-GOEBONIOSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1CCc1cn[nH]n1 ZINC001576020264 1164212466 /nfs/dbraw/zinc/21/24/66/1164212466.db2.gz ILSVHCYMHFROAD-ZFWWWQNUSA-N 1 3 322.457 0.658 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC001576574541 1164400338 /nfs/dbraw/zinc/40/03/38/1164400338.db2.gz UIMDBFLVJOIDHX-MRVWCRGKSA-N 1 3 308.426 0.095 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCO[C@]2(CC[NH2+]C2)C1 ZINC001576798226 1164468321 /nfs/dbraw/zinc/46/83/21/1164468321.db2.gz OZPADCKMFGREEC-XPKDYRNWSA-N 1 3 308.426 0.243 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(CCc3cn[nH]n3)C2)C1 ZINC001576878164 1164513878 /nfs/dbraw/zinc/51/38/78/1164513878.db2.gz ZAECKKCAGRCFLO-BBRMVZONSA-N 1 3 320.441 0.270 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(CCc3cn[nH]n3)C2)C1 ZINC001576878164 1164513886 /nfs/dbraw/zinc/51/38/86/1164513886.db2.gz ZAECKKCAGRCFLO-BBRMVZONSA-N 1 3 320.441 0.270 20 0 DCADHO CCNC(=O)C1(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)CCC1 ZINC001577785805 1164794282 /nfs/dbraw/zinc/79/42/82/1164794282.db2.gz TWENBHRGZKNYPH-AWEZNQCLSA-N 1 3 321.469 0.742 20 0 DCADHO CCNC(=O)C1(C[NH2+]C[C@H](CN)Cc2cnn(C)c2C)CCC1 ZINC001577785805 1164794288 /nfs/dbraw/zinc/79/42/88/1164794288.db2.gz TWENBHRGZKNYPH-AWEZNQCLSA-N 1 3 321.469 0.742 20 0 DCADHO O=C(Cc1cnc[nH]1)N1CCCC[C@H]1C[NH2+]CCc1c[nH]nn1 ZINC001577964121 1164865439 /nfs/dbraw/zinc/86/54/39/1164865439.db2.gz XOFNZJQPAYCADJ-AWEZNQCLSA-N 1 3 317.397 0.284 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1CC2(C[NH2+]C2)C1)Cc1ccccc1 ZINC001578406463 1165001876 /nfs/dbraw/zinc/00/18/76/1165001876.db2.gz SUUQQPPGVKLMPL-OAHLLOKOSA-N 1 3 302.422 0.774 20 0 DCADHO C[NH+](C)C1(CNS(=O)(=O)N2CCNCC2)CCCCCC1 ZINC001578409584 1165003306 /nfs/dbraw/zinc/00/33/06/1165003306.db2.gz ZBMDMOPXHNQOPO-UHFFFAOYSA-N 1 3 318.487 0.381 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001578413697 1165004478 /nfs/dbraw/zinc/00/44/78/1165004478.db2.gz UXKOJYFIMLLBRV-OAHLLOKOSA-N 1 3 305.422 0.347 20 0 DCADHO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4c(c3)OCCNC4)[C@H]2C1 ZINC001578524458 1165042770 /nfs/dbraw/zinc/04/27/70/1165042770.db2.gz WUFRBVUGCQAGSK-CABCVRRESA-N 1 3 301.390 0.945 20 0 DCADHO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc4c(c3)OCCNC4)[C@H]2C1 ZINC001578524458 1165042775 /nfs/dbraw/zinc/04/27/75/1165042775.db2.gz WUFRBVUGCQAGSK-CABCVRRESA-N 1 3 301.390 0.945 20 0 DCADHO CN1CC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001578525222 1165043364 /nfs/dbraw/zinc/04/33/64/1165043364.db2.gz BLVWTVBKQNZULW-HRCADAONSA-N 1 3 321.469 0.301 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccnc([C@H]3CCCN3)n2)C1 ZINC001578525977 1165045237 /nfs/dbraw/zinc/04/52/37/1165045237.db2.gz VVFUWQPCAUFBGS-ABAIWWIYSA-N 1 3 320.397 0.089 20 0 DCADHO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccnc([C@H]3CCCN3)n2)C1 ZINC001578525977 1165045243 /nfs/dbraw/zinc/04/52/43/1165045243.db2.gz VVFUWQPCAUFBGS-ABAIWWIYSA-N 1 3 320.397 0.089 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC001578528469 1165045258 /nfs/dbraw/zinc/04/52/58/1165045258.db2.gz HWPNICAAPYOLSA-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC001578528689 1165045286 /nfs/dbraw/zinc/04/52/86/1165045286.db2.gz KLBMBUUUTLPXAN-HNNXBMFYSA-N 1 3 323.485 0.406 20 0 DCADHO COC(=O)N1CCC([NH2+]C[C@H](CN)Cc2cnn(C)c2C)CC1 ZINC001578825658 1165132411 /nfs/dbraw/zinc/13/24/11/1165132411.db2.gz VIDCMNDDEVJTEJ-ZDUSSCGKSA-N 1 3 323.441 0.666 20 0 DCADHO COC1CCN(CCNC(=O)c2cc(C[NH3+])n(C)c2C)CC1 ZINC001578941737 1165163890 /nfs/dbraw/zinc/16/38/90/1165163890.db2.gz XTJOCBBMDNELHO-UHFFFAOYSA-N 1 3 308.426 0.633 20 0 DCADHO COCCCN(C(=O)[C@@H](N)CC(F)F)C1CC[NH+](C)CC1 ZINC001579014106 1165187686 /nfs/dbraw/zinc/18/76/86/1165187686.db2.gz ISKSJXSFOHCEQG-LBPRGKRZSA-N 1 3 307.385 0.928 20 0 DCADHO CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC001579347049 1165280350 /nfs/dbraw/zinc/28/03/50/1165280350.db2.gz ZJMFCAUXQWIOSX-OAHLLOKOSA-N 1 3 311.451 0.907 20 0 DCADHO CSC1(CNC(=O)NC[C@@H]2CNCCO2)CC[NH+](C)CC1 ZINC001579365876 1165288751 /nfs/dbraw/zinc/28/87/51/1165288751.db2.gz VUOASNKUQFWHHA-LBPRGKRZSA-N 1 3 316.471 0.101 20 0 DCADHO Cc1cnccc1CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001579825100 1165404088 /nfs/dbraw/zinc/40/40/88/1165404088.db2.gz PQLNHQWTEKOFPV-OAGGEKHMSA-N 1 3 316.405 0.799 20 0 DCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)CCN(C)CCO ZINC001579826968 1165405328 /nfs/dbraw/zinc/40/53/28/1165405328.db2.gz WFDWESBEGSJHGJ-AWEZNQCLSA-N 1 3 323.441 0.112 20 0 DCADHO C[NH+](C)CCCCC(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001582070129 1165949521 /nfs/dbraw/zinc/94/95/21/1165949521.db2.gz GZJDHKDQNOYZSP-UHFFFAOYSA-N 1 3 307.398 0.011 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001583560485 1166270744 /nfs/dbraw/zinc/27/07/44/1166270744.db2.gz IJDXVYMOWNAXLE-ZRUQZJFASA-N 1 3 310.442 0.211 20 0 DCADHO CN1CCCN(C(=O)CN(CC[NH3+])Cc2ccccc2)CC1 ZINC001645882980 1172170524 /nfs/dbraw/zinc/17/05/24/1172170524.db2.gz MFUSKADOQPWFTD-UHFFFAOYSA-N 1 3 304.438 0.611 20 0 DCADHO Cn1ncc(CN)c1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001646117469 1172260884 /nfs/dbraw/zinc/26/08/84/1172260884.db2.gz SVOXSCRWUHRHLP-CQSZACIVSA-N 1 3 321.425 0.252 20 0 DCADHO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001646738539 1172500958 /nfs/dbraw/zinc/50/09/58/1172500958.db2.gz JFSMBMNHYNHITP-AWEZNQCLSA-N 1 3 318.421 0.970 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001646740888 1172503253 /nfs/dbraw/zinc/50/32/53/1172503253.db2.gz POGKGZKVJANZCP-ZENOOKHLSA-N 1 3 313.442 0.894 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@@H]4N)CC[C@H]21 ZINC001646781816 1172528861 /nfs/dbraw/zinc/52/88/61/1172528861.db2.gz XPYWWQTZMOCAME-MBNYWOFBSA-N 1 3 303.410 0.843 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@@H]4N)CC[C@H]21 ZINC001646781816 1172528865 /nfs/dbraw/zinc/52/88/65/1172528865.db2.gz XPYWWQTZMOCAME-MBNYWOFBSA-N 1 3 303.410 0.843 20 0 DCADHO CN1CCNC[C@H]1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001646782251 1172529222 /nfs/dbraw/zinc/52/92/22/1172529222.db2.gz YQXBMLCMPOFYLB-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001646782252 1172529405 /nfs/dbraw/zinc/52/94/05/1172529405.db2.gz YQXBMLCMPOFYLB-OAHLLOKOSA-N 1 3 308.470 0.757 20 0 DCADHO Cc1nonc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001647252500 1172767046 /nfs/dbraw/zinc/76/70/46/1172767046.db2.gz TVFTVHOQIYRVGA-UHFFFAOYSA-N 1 3 321.425 0.595 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)N(C)CC2CC2)C1 ZINC001649439113 1173134224 /nfs/dbraw/zinc/13/42/24/1173134224.db2.gz CVWPUABWEYEPRT-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)N(C)CC2CC2)C1 ZINC001649439113 1173134226 /nfs/dbraw/zinc/13/42/26/1173134226.db2.gz CVWPUABWEYEPRT-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001650607642 1173724305 /nfs/dbraw/zinc/72/43/05/1173724305.db2.gz UXSQJMVDCIBHHA-MELADBBJSA-N 1 3 305.426 0.515 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001650607642 1173724307 /nfs/dbraw/zinc/72/43/07/1173724307.db2.gz UXSQJMVDCIBHHA-MELADBBJSA-N 1 3 305.426 0.515 20 0 DCADHO CCCN1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001660895829 1174064513 /nfs/dbraw/zinc/06/45/13/1174064513.db2.gz HGEMNQZREJUJQH-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001663066618 1174261176 /nfs/dbraw/zinc/26/11/76/1174261176.db2.gz KBEVPRNHYDRCQC-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001663066618 1174261183 /nfs/dbraw/zinc/26/11/83/1174261183.db2.gz KBEVPRNHYDRCQC-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C1CC1 ZINC001664129383 1174399699 /nfs/dbraw/zinc/39/96/99/1174399699.db2.gz DKBWAJBEQDOXER-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001666134494 1174588120 /nfs/dbraw/zinc/58/81/20/1174588120.db2.gz ASSFYZCQQRKQDU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001666992079 1174654166 /nfs/dbraw/zinc/65/41/66/1174654166.db2.gz LDHJNRZTFTUIEQ-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001667034862 1174658134 /nfs/dbraw/zinc/65/81/34/1174658134.db2.gz ZOGKCSOYRCLYOX-SWLSCSKDSA-N 1 3 324.473 0.672 20 0 DCADHO CN1CCC[C@@H](NC/C=C\CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001669001308 1174874765 /nfs/dbraw/zinc/87/47/65/1174874765.db2.gz OSWRCPDNIJKPEI-ZRUQZJFASA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)N(C)C2CC2)C1 ZINC001669039546 1174879999 /nfs/dbraw/zinc/87/99/99/1174879999.db2.gz OCOTZJMZHAGHSP-NQHOJNORSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)N(C)C2CC2)C1 ZINC001669039546 1174880001 /nfs/dbraw/zinc/88/00/01/1174880001.db2.gz OCOTZJMZHAGHSP-NQHOJNORSA-N 1 3 322.453 0.211 20 0 DCADHO CC1CCN(CC(=O)NC/C=C\C[NH2+]CCn2cccn2)CC1 ZINC001669108876 1174895012 /nfs/dbraw/zinc/89/50/12/1174895012.db2.gz UDRNJVOSZIQFGT-IHWYPQMZSA-N 1 3 319.453 0.877 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)[NH+]1CCCCC1 ZINC001669208228 1174909950 /nfs/dbraw/zinc/90/99/50/1174909950.db2.gz RKBBLHFJSQPWSS-WHJWBVKISA-N 1 3 324.469 0.633 20 0 DCADHO CCn1cc(CC[NH2+]C[C@H](C)NC(=O)Cc2nc[nH]c2C)cn1 ZINC001669724147 1174945486 /nfs/dbraw/zinc/94/54/86/1174945486.db2.gz JNKOGAOMTNWAKO-LBPRGKRZSA-N 1 3 318.425 0.814 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2CCCCN2C)C1=O ZINC001670143682 1174986269 /nfs/dbraw/zinc/98/62/69/1174986269.db2.gz GOFQCDZWCTUMAN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO COCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001675628637 1175382782 /nfs/dbraw/zinc/38/27/82/1175382782.db2.gz YAVXSTYOBBEYRA-KBPBESRZSA-N 1 3 301.431 0.179 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)CN1CCCC1 ZINC001687024420 1176266596 /nfs/dbraw/zinc/26/65/96/1176266596.db2.gz ZTHUXRUDERJRPJ-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)CN1CCCC1 ZINC001687024420 1176266599 /nfs/dbraw/zinc/26/65/99/1176266599.db2.gz ZTHUXRUDERJRPJ-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001690484568 1177251799 /nfs/dbraw/zinc/25/17/99/1177251799.db2.gz YRVUVNZLZRFTFK-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[NH2+]CC(N)=O)CC2)C1 ZINC001698704069 1177612734 /nfs/dbraw/zinc/61/27/34/1177612734.db2.gz YMFBIPJGCOLBON-CYBMUJFWSA-N 1 3 310.442 0.032 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccc(Cl)nc1 ZINC001699058344 1177809858 /nfs/dbraw/zinc/80/98/58/1177809858.db2.gz DSMRFTVFTWNNPJ-LBPRGKRZSA-N 1 3 314.817 0.253 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)nn1C ZINC001699166363 1177904140 /nfs/dbraw/zinc/90/41/40/1177904140.db2.gz UJWCLOGXCKSMOT-OCCSQVGLSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1C ZINC001699166363 1177904147 /nfs/dbraw/zinc/90/41/47/1177904147.db2.gz UJWCLOGXCKSMOT-OCCSQVGLSA-N 1 3 307.442 0.665 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699506578 1178172076 /nfs/dbraw/zinc/17/20/76/1178172076.db2.gz HSRFXVZTBJRTBL-HNNXBMFYSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001699508490 1178172169 /nfs/dbraw/zinc/17/21/69/1178172169.db2.gz ACQSEWDDUOSVIP-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C(=O)NC[C@H](CO)[NH2+]CCCF)N1CCCCCC1 ZINC001700809319 1178760073 /nfs/dbraw/zinc/76/00/73/1178760073.db2.gz VLESBZPKBCWAHA-ZIAGYGMSSA-N 1 3 303.422 0.677 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C(C)C)[C@@H]1CCCNC1=O ZINC001713030678 1180639264 /nfs/dbraw/zinc/63/92/64/1180639264.db2.gz GITSWOCYYWQLQA-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C(C)C)[C@@H]1CCCNC1=O ZINC001713030678 1180639269 /nfs/dbraw/zinc/63/92/69/1180639269.db2.gz GITSWOCYYWQLQA-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO COCCCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001713082721 1180673020 /nfs/dbraw/zinc/67/30/20/1180673020.db2.gz IEGPQYSZHQGHPT-AWEZNQCLSA-N 1 3 323.441 0.285 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCOC[C@@H]1CCCO1 ZINC001714572528 1181423398 /nfs/dbraw/zinc/42/33/98/1181423398.db2.gz DERACHTYFJBSGM-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCOC[C@@H]1CCCO1 ZINC001714572528 1181423405 /nfs/dbraw/zinc/42/34/05/1181423405.db2.gz DERACHTYFJBSGM-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001715338162 1181779359 /nfs/dbraw/zinc/77/93/59/1181779359.db2.gz MZXRVTWBOJJWOQ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNC/C=C/Cl)C1 ZINC001715598828 1181886198 /nfs/dbraw/zinc/88/61/98/1181886198.db2.gz LAADPKMPLSUGMT-HHAVJRIZSA-N 1 3 317.861 0.928 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)CNC/C=C/Cl)C1 ZINC001715598828 1181886214 /nfs/dbraw/zinc/88/62/14/1181886214.db2.gz LAADPKMPLSUGMT-HHAVJRIZSA-N 1 3 317.861 0.928 20 0 DCADHO CN(CCC[NH+]1CCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000162270992 1182196293 /nfs/dbraw/zinc/19/62/93/1182196293.db2.gz KPTVEPDSFVMGID-UHFFFAOYSA-N 1 3 303.472 0.828 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716239620 1182271784 /nfs/dbraw/zinc/27/17/84/1182271784.db2.gz NSYGSICBOBTWNV-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001716239620 1182271790 /nfs/dbraw/zinc/27/17/90/1182271790.db2.gz NSYGSICBOBTWNV-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCOCCN1CC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001716671076 1182488433 /nfs/dbraw/zinc/48/84/33/1182488433.db2.gz KVMJCKVRIMKRLP-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)OCCN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717775830 1182994108 /nfs/dbraw/zinc/99/41/08/1182994108.db2.gz QBPHRJCBNAWQMF-KKUMJFAQSA-N 1 3 315.458 0.208 20 0 DCADHO CC(C)OCCN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717775830 1182994110 /nfs/dbraw/zinc/99/41/10/1182994110.db2.gz QBPHRJCBNAWQMF-KKUMJFAQSA-N 1 3 315.458 0.208 20 0 DCADHO CC1(C)CCN(CC(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001720179584 1183494685 /nfs/dbraw/zinc/49/46/85/1183494685.db2.gz CUQRJUPQBMNLIE-UHFFFAOYSA-N 1 3 322.453 0.047 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001720281648 1183547935 /nfs/dbraw/zinc/54/79/35/1183547935.db2.gz HQYGBRXUSWEQAC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001720281648 1183547936 /nfs/dbraw/zinc/54/79/36/1183547936.db2.gz HQYGBRXUSWEQAC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001723124116 1184265153 /nfs/dbraw/zinc/26/51/53/1184265153.db2.gz TZPKGIPWGDJYNY-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CCCF)C2)C1 ZINC001724813708 1184568952 /nfs/dbraw/zinc/56/89/52/1184568952.db2.gz AGTVXKJUPKSVCT-UONOGXRCSA-N 1 3 301.406 0.505 20 0 DCADHO C[C@H](CCC[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001725410850 1184810449 /nfs/dbraw/zinc/81/04/49/1184810449.db2.gz AAODNVWAFOMAHQ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CCc2ccnn2C)C1 ZINC001731267521 1185229998 /nfs/dbraw/zinc/22/99/98/1185229998.db2.gz XHHRULPELMDKGD-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CCc2ccnn2C)C1 ZINC001731267521 1185230002 /nfs/dbraw/zinc/23/00/02/1185230002.db2.gz XHHRULPELMDKGD-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001731323499 1185268217 /nfs/dbraw/zinc/26/82/17/1185268217.db2.gz YRRQGGOLPGRDKS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001731323499 1185268221 /nfs/dbraw/zinc/26/82/21/1185268221.db2.gz YRRQGGOLPGRDKS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001731751541 1185469873 /nfs/dbraw/zinc/46/98/73/1185469873.db2.gz YAIFETVJYMZLOU-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(N(C)C)CCC1 ZINC001731751541 1185469876 /nfs/dbraw/zinc/46/98/76/1185469876.db2.gz YAIFETVJYMZLOU-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001732850459 1186012031 /nfs/dbraw/zinc/01/20/31/1186012031.db2.gz IZHDQAURIAWCQN-MFHOCJEASA-N 1 3 324.469 0.598 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001732850459 1186012044 /nfs/dbraw/zinc/01/20/44/1186012044.db2.gz IZHDQAURIAWCQN-MFHOCJEASA-N 1 3 324.469 0.598 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001733135814 1186156564 /nfs/dbraw/zinc/15/65/64/1186156564.db2.gz NQVOEZIJOAEBKG-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCCF)CCOCC1 ZINC001733473711 1186282425 /nfs/dbraw/zinc/28/24/25/1186282425.db2.gz LUBNMHLBGFNZLK-UHFFFAOYSA-N 1 3 303.422 0.941 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@H](CNCCF)C2)C1 ZINC001733742541 1186426629 /nfs/dbraw/zinc/42/66/29/1186426629.db2.gz IVQZFQJSYQJVPD-LSDHHAIUSA-N 1 3 315.433 0.895 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@H](CNCCF)C2)C1 ZINC001733742541 1186426630 /nfs/dbraw/zinc/42/66/30/1186426630.db2.gz IVQZFQJSYQJVPD-LSDHHAIUSA-N 1 3 315.433 0.895 20 0 DCADHO CCCCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733853102 1186475031 /nfs/dbraw/zinc/47/50/31/1186475031.db2.gz XMUIGPOSVQPEIL-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC001736750564 1187085627 /nfs/dbraw/zinc/08/56/27/1187085627.db2.gz VUKFMEVCKOETRL-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001742508014 1187996930 /nfs/dbraw/zinc/99/69/30/1187996930.db2.gz RGQMHOIMDGJPCI-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001742508014 1187996934 /nfs/dbraw/zinc/99/69/34/1187996934.db2.gz RGQMHOIMDGJPCI-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCN(C)[C@H]1CCCN(C)C1=O ZINC001752090159 1188389416 /nfs/dbraw/zinc/38/94/16/1188389416.db2.gz JQORSKWFUKGRIO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCN(C)[C@H]1CCCN(C)C1=O ZINC001752090159 1188389419 /nfs/dbraw/zinc/38/94/19/1188389419.db2.gz JQORSKWFUKGRIO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CCN(C)C1=O ZINC001752212545 1188403117 /nfs/dbraw/zinc/40/31/17/1188403117.db2.gz OFDGJWLKXHVSBR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1CCN(C)C1=O ZINC001752212545 1188403118 /nfs/dbraw/zinc/40/31/18/1188403118.db2.gz OFDGJWLKXHVSBR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCN(C)C1=O ZINC001752212545 1188403120 /nfs/dbraw/zinc/40/31/20/1188403120.db2.gz OFDGJWLKXHVSBR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCN(C)C1=O ZINC001752212545 1188403122 /nfs/dbraw/zinc/40/31/22/1188403122.db2.gz OFDGJWLKXHVSBR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001752222458 1188404552 /nfs/dbraw/zinc/40/45/52/1188404552.db2.gz FKGQKUWNDKHCGO-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001752222458 1188404555 /nfs/dbraw/zinc/40/45/55/1188404555.db2.gz FKGQKUWNDKHCGO-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2cnn(C)c2)C1 ZINC001752964109 1188468899 /nfs/dbraw/zinc/46/88/99/1188468899.db2.gz XSRGJCPJYWTJPS-INIZCTEOSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001753260378 1188552218 /nfs/dbraw/zinc/55/22/18/1188552218.db2.gz JONMCOASFWXHEH-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCCN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001753260378 1188552219 /nfs/dbraw/zinc/55/22/19/1188552219.db2.gz JONMCOASFWXHEH-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCCO ZINC001754350787 1188827844 /nfs/dbraw/zinc/82/78/44/1188827844.db2.gz FQTKYDVMHREULB-UONOGXRCSA-N 1 3 308.426 0.908 20 0 DCADHO CC[NH2+]CCN(CCO)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001754891740 1188965268 /nfs/dbraw/zinc/96/52/68/1188965268.db2.gz WLWJZDHDKSBSNX-HNNXBMFYSA-N 1 3 303.422 0.629 20 0 DCADHO C[NH+]1CCC(C(=O)N(CCO)CCNC/C=C/Cl)CC1 ZINC001754892485 1188966437 /nfs/dbraw/zinc/96/64/37/1188966437.db2.gz NJBBHDHQGNBXDN-GORDUTHDSA-N 1 3 303.834 0.491 20 0 DCADHO Cc1ccncc1CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001754897327 1188968382 /nfs/dbraw/zinc/96/83/82/1188968382.db2.gz MVOOBMVMQUOPKF-OAHLLOKOSA-N 1 3 320.437 0.252 20 0 DCADHO Cc1ccncc1CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001754897327 1188968385 /nfs/dbraw/zinc/96/83/85/1188968385.db2.gz MVOOBMVMQUOPKF-OAHLLOKOSA-N 1 3 320.437 0.252 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCCF)C1 ZINC001755458320 1189117768 /nfs/dbraw/zinc/11/77/68/1189117768.db2.gz CIKSXCHAIPSJHL-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001758032063 1189689212 /nfs/dbraw/zinc/68/92/12/1189689212.db2.gz KDKZYBVGWQFMNH-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001758032063 1189689217 /nfs/dbraw/zinc/68/92/17/1189689217.db2.gz KDKZYBVGWQFMNH-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO COc1ccc([C@H](CNC(=O)C[C@@H](O)C[NH3+])N2CCCC2)cc1 ZINC001772219299 1190632992 /nfs/dbraw/zinc/63/29/92/1190632992.db2.gz NUNJEHJYQKYQQJ-ZBFHGGJFSA-N 1 3 321.421 0.658 20 0 DCADHO CN1CC[NH2+]C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001772220779 1190633137 /nfs/dbraw/zinc/63/31/37/1190633137.db2.gz XNXBNMMIOYAAJM-KGLIPLIRSA-N 1 3 322.478 0.905 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001772244873 1190641437 /nfs/dbraw/zinc/64/14/37/1190641437.db2.gz AKEFEBLKINFOIH-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001772244873 1190641438 /nfs/dbraw/zinc/64/14/38/1190641438.db2.gz AKEFEBLKINFOIH-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001772278966 1190651995 /nfs/dbraw/zinc/65/19/95/1190651995.db2.gz XMZCMFMITFIKQD-GULBITTBSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001772308781 1190659544 /nfs/dbraw/zinc/65/95/44/1190659544.db2.gz PUEIVEMYBULRFF-YXWQFLTLSA-N 1 3 324.469 0.275 20 0 DCADHO Clc1cc(N2CCN3CC[NH2+]C[C@H]3C2)c2c(n1)CNCC2 ZINC001164408010 718838237 /nfs/dbraw/zinc/83/82/37/718838237.db2.gz XHGKXXRMXRTTLL-NSHDSACASA-N 1 3 307.829 0.475 20 0 DCADHO OC[C@@]12C[NH2+]C[C@@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164402086 718853174 /nfs/dbraw/zinc/85/31/74/718853174.db2.gz DTCVFMMLCPJEDR-WBVHZDCISA-N 1 3 302.422 0.696 20 0 DCADHO C[N@H+](C[C@H](O)CN)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001578446323 1165020189 /nfs/dbraw/zinc/02/01/89/1165020189.db2.gz VEBJDPWIOWUMBD-MFOWVQHXSA-N 1 3 316.442 0.501 20 0 DCADHO C[N@@H+](C[C@H](O)CN)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001578446323 1165020191 /nfs/dbraw/zinc/02/01/91/1165020191.db2.gz VEBJDPWIOWUMBD-MFOWVQHXSA-N 1 3 316.442 0.501 20 0 DCADHO CN(CCNC(=O)OC(C)(C)C)C[C@H](O)C1CC[NH2+]CC1 ZINC001578474432 1165030234 /nfs/dbraw/zinc/03/02/34/1165030234.db2.gz XXRHENQZXBBYBG-ZDUSSCGKSA-N 1 3 301.431 0.803 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475090 751412346 /nfs/dbraw/zinc/41/23/46/751412346.db2.gz QFQZVWXQWIVBDN-MRXNPFEDSA-N 1 3 302.422 0.938 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](CC)C(N)=O)[C@H](C)C1 ZINC001106910553 751552419 /nfs/dbraw/zinc/55/24/19/751552419.db2.gz CUXLDJPSOYSJAM-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)C(C)C)CC[N@@H+]1C ZINC001127695755 751642062 /nfs/dbraw/zinc/64/20/62/751642062.db2.gz XFPAVXNTVBWUFH-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(C)C(C)C)CC[N@H+]1C ZINC001127695755 751642069 /nfs/dbraw/zinc/64/20/69/751642069.db2.gz XFPAVXNTVBWUFH-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO COCC[C@@H]([NH3+])CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001579004977 1165185414 /nfs/dbraw/zinc/18/54/14/1165185414.db2.gz YXYJNMPOHWSZIW-YNEHKIRRSA-N 1 3 317.430 0.168 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001100409978 746956972 /nfs/dbraw/zinc/95/69/72/746956972.db2.gz TWGPVUPXDCNWSA-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232360 747031726 /nfs/dbraw/zinc/03/17/26/747031726.db2.gz ACDGQTYZXHFXGY-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)C1 ZINC001083248177 747422029 /nfs/dbraw/zinc/42/20/29/747422029.db2.gz UVZJBYFSKIJFEW-OWCLPIDISA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)C1 ZINC001083248177 747422035 /nfs/dbraw/zinc/42/20/35/747422035.db2.gz UVZJBYFSKIJFEW-OWCLPIDISA-N 1 3 307.438 0.650 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001167626944 747437128 /nfs/dbraw/zinc/43/71/28/747437128.db2.gz HYDVOEKFJMKRJP-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)C1CCCS1(=O)=O ZINC001143473741 747762049 /nfs/dbraw/zinc/76/20/49/747762049.db2.gz CVDUTXWDKQTDNM-MWLCHTKSSA-N 1 3 310.379 0.004 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNCc1ccn(C)n1 ZINC001104621533 747804704 /nfs/dbraw/zinc/80/47/04/747804704.db2.gz GGMYTXOZRUNYHX-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001100769483 747900322 /nfs/dbraw/zinc/90/03/22/747900322.db2.gz LXTMRVSTEAMIHN-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCNCc1cn(C2CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001105357584 748430112 /nfs/dbraw/zinc/43/01/12/748430112.db2.gz GETHIOUBWRQQFQ-UHFFFAOYSA-N 1 3 322.457 0.893 20 0 DCADHO CCCCNCc1cn(C2CN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001105357584 748430113 /nfs/dbraw/zinc/43/01/13/748430113.db2.gz GETHIOUBWRQQFQ-UHFFFAOYSA-N 1 3 322.457 0.893 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001167901743 748478722 /nfs/dbraw/zinc/47/87/22/748478722.db2.gz YMUYDLRKQLNJKI-UHFFFAOYSA-N 1 3 324.425 0.146 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077680851 752291600 /nfs/dbraw/zinc/29/16/00/752291600.db2.gz YYTUUFORHQFDEO-IAGOWNOFSA-N 1 3 319.449 0.974 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)N(C)CC)CC1 ZINC001203437171 748857302 /nfs/dbraw/zinc/85/73/02/748857302.db2.gz CWRFAVNTUXWUOY-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088414049 749427204 /nfs/dbraw/zinc/42/72/04/749427204.db2.gz VUDPWEISAZPTML-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088414049 749427208 /nfs/dbraw/zinc/42/72/08/749427208.db2.gz VUDPWEISAZPTML-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CCCO ZINC001088768931 749995163 /nfs/dbraw/zinc/99/51/63/749995163.db2.gz KJGPYXASYIPORD-VNQPRFMTSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CCCO ZINC001088768931 749995168 /nfs/dbraw/zinc/99/51/68/749995168.db2.gz KJGPYXASYIPORD-VNQPRFMTSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1CCCO ZINC001088768931 749995169 /nfs/dbraw/zinc/99/51/69/749995169.db2.gz KJGPYXASYIPORD-VNQPRFMTSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001077151156 750230784 /nfs/dbraw/zinc/23/07/84/750230784.db2.gz GPRGULGBJBQYNF-QWHCGFSZSA-N 1 3 300.447 0.289 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046010962 750824525 /nfs/dbraw/zinc/82/45/25/750824525.db2.gz XOVYMAKAJGXMTJ-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046010962 750824532 /nfs/dbraw/zinc/82/45/32/750824532.db2.gz XOVYMAKAJGXMTJ-JKSUJKDBSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCO ZINC001106133158 750954269 /nfs/dbraw/zinc/95/42/69/750954269.db2.gz HVGMULLBZNUMTM-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[NH+](C)CCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463130 750996765 /nfs/dbraw/zinc/99/67/65/750996765.db2.gz QOFIYOXVYKVQHI-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001106255197 751067898 /nfs/dbraw/zinc/06/78/98/751067898.db2.gz IUEKTPJMESBPOU-JHJVBQTASA-N 1 3 310.442 0.029 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001114998802 752603504 /nfs/dbraw/zinc/60/35/04/752603504.db2.gz WJIUEFDYHCVMRU-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001114998802 752603512 /nfs/dbraw/zinc/60/35/12/752603512.db2.gz WJIUEFDYHCVMRU-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001168606635 752677692 /nfs/dbraw/zinc/67/76/92/752677692.db2.gz KFLBPYDDVJHSRA-UHFFFAOYSA-N 1 3 324.473 0.886 20 0 DCADHO CC(C)[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001045127463 753054594 /nfs/dbraw/zinc/05/45/94/753054594.db2.gz NMFMHYKMBOJVNY-KRIMKBQASA-N 1 3 307.438 0.839 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCc2ccnn2C)C1 ZINC001045200179 753088049 /nfs/dbraw/zinc/08/80/49/753088049.db2.gz OLSPPRAXNQCVJR-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCc2ccnn2C)C1 ZINC001045200179 753088055 /nfs/dbraw/zinc/08/80/55/753088055.db2.gz OLSPPRAXNQCVJR-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CCC[C@H]1C)NC(=O)[C@H]1CCCN1C ZINC001078467723 753263158 /nfs/dbraw/zinc/26/31/58/753263158.db2.gz MDZHPYNMVYTLGI-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@H]1C)NC(=O)[C@H]1CCCN1C ZINC001078467723 753263163 /nfs/dbraw/zinc/26/31/63/753263163.db2.gz MDZHPYNMVYTLGI-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064338 753457562 /nfs/dbraw/zinc/45/75/62/753457562.db2.gz LHSZTQVHKYUDTN-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064338 753457564 /nfs/dbraw/zinc/45/75/64/753457564.db2.gz LHSZTQVHKYUDTN-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CCCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066472 753460575 /nfs/dbraw/zinc/46/05/75/753460575.db2.gz MADGXOXCUKANLT-MRXNPFEDSA-N 1 3 319.453 0.971 20 0 DCADHO CCCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066472 753460579 /nfs/dbraw/zinc/46/05/79/753460579.db2.gz MADGXOXCUKANLT-MRXNPFEDSA-N 1 3 319.453 0.971 20 0 DCADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096139708 754028688 /nfs/dbraw/zinc/02/86/88/754028688.db2.gz HURQEEZVIQNEGW-ILXRZTDVSA-N 1 3 305.426 0.800 20 0 DCADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2)N1CCCC1 ZINC001047123523 754096210 /nfs/dbraw/zinc/09/62/10/754096210.db2.gz SKRZHASGGUAUGY-ZNMIVQPWSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2)N1CCCC1 ZINC001047123523 754096215 /nfs/dbraw/zinc/09/62/15/754096215.db2.gz SKRZHASGGUAUGY-ZNMIVQPWSA-N 1 3 309.454 0.822 20 0 DCADHO CCCCN1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047442758 754286846 /nfs/dbraw/zinc/28/68/46/754286846.db2.gz KFFKSKLJDVFROO-GJZGRUSLSA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(CC)C1=O ZINC001128786756 754289814 /nfs/dbraw/zinc/28/98/14/754289814.db2.gz VOPVKFKLHHOWAM-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(CC)C1=O ZINC001128786756 754289815 /nfs/dbraw/zinc/28/98/15/754289815.db2.gz VOPVKFKLHHOWAM-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063713 754597970 /nfs/dbraw/zinc/59/79/70/754597970.db2.gz FODCWXHNIGFHNW-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085196876 754947556 /nfs/dbraw/zinc/94/75/56/754947556.db2.gz RCUBSGDBLAQNIP-MCIONIFRSA-N 1 3 310.442 0.362 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001168763053 755085550 /nfs/dbraw/zinc/08/55/50/755085550.db2.gz JBFRSSXERFTHBR-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001049056828 755095517 /nfs/dbraw/zinc/09/55/17/755095517.db2.gz AJUQLJKZAKNVMM-VVLHAWIVSA-N 1 3 321.465 0.897 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001049056828 755095523 /nfs/dbraw/zinc/09/55/23/755095523.db2.gz AJUQLJKZAKNVMM-VVLHAWIVSA-N 1 3 321.465 0.897 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058835 755096145 /nfs/dbraw/zinc/09/61/45/755096145.db2.gz IYZSDUUZQNJZST-QXSJWSMHSA-N 1 3 309.454 0.753 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058835 755096150 /nfs/dbraw/zinc/09/61/50/755096150.db2.gz IYZSDUUZQNJZST-QXSJWSMHSA-N 1 3 309.454 0.753 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049234028 755196151 /nfs/dbraw/zinc/19/61/51/755196151.db2.gz WIMNBQLCVSVQKJ-XHSDSOJGSA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049234028 755196155 /nfs/dbraw/zinc/19/61/55/755196155.db2.gz WIMNBQLCVSVQKJ-XHSDSOJGSA-N 1 3 309.454 0.633 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079495829 755882532 /nfs/dbraw/zinc/88/25/32/755882532.db2.gz XAWAASXAMYRNII-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO COCCN1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717516 755977483 /nfs/dbraw/zinc/97/74/83/755977483.db2.gz LPBJRVRUARQHRJ-UKRRQHHQSA-N 1 3 323.441 0.141 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001053503191 756068821 /nfs/dbraw/zinc/06/88/21/756068821.db2.gz ITAYYPMCSQLCIW-STQMWFEESA-N 1 3 321.425 0.115 20 0 DCADHO COCCN1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188512 756124235 /nfs/dbraw/zinc/12/42/35/756124235.db2.gz JKNPULLWSWJGHU-BMFZPTHFSA-N 1 3 309.454 0.944 20 0 DCADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080534550 756240788 /nfs/dbraw/zinc/24/07/88/756240788.db2.gz DNBZCFGMZOETBP-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001080534550 756240791 /nfs/dbraw/zinc/24/07/91/756240791.db2.gz DNBZCFGMZOETBP-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080934881 756391517 /nfs/dbraw/zinc/39/15/17/756391517.db2.gz FBIGRZWDCIBTGM-IIAWOOMASA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CN(CCOC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080934881 756391520 /nfs/dbraw/zinc/39/15/20/756391520.db2.gz FBIGRZWDCIBTGM-IIAWOOMASA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097976113 756724436 /nfs/dbraw/zinc/72/44/36/756724436.db2.gz UUVMEBVCTBZZEK-MIGQKNRLSA-N 1 3 309.454 0.821 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001082589180 757195600 /nfs/dbraw/zinc/19/56/00/757195600.db2.gz MXBUABRFCDFQGX-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cnn(C)c1 ZINC001082861694 757302148 /nfs/dbraw/zinc/30/21/48/757302148.db2.gz LPQJZONGHFDUGA-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cnn(C)c1 ZINC001082861694 757302157 /nfs/dbraw/zinc/30/21/57/757302157.db2.gz LPQJZONGHFDUGA-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001082920311 757325448 /nfs/dbraw/zinc/32/54/48/757325448.db2.gz YSWANWASMSUOFR-VNHYZAJKSA-N 1 3 305.426 0.308 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccnn1C ZINC001082920311 757325460 /nfs/dbraw/zinc/32/54/60/757325460.db2.gz YSWANWASMSUOFR-VNHYZAJKSA-N 1 3 305.426 0.308 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082941770 757340150 /nfs/dbraw/zinc/34/01/50/757340150.db2.gz LDPLMRWZPPBQBX-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO CN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050237483 757527429 /nfs/dbraw/zinc/52/74/29/757527429.db2.gz VIJPZMFMBBJWPW-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO COCC[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050662700 757941964 /nfs/dbraw/zinc/94/19/64/757941964.db2.gz MOKHNYYVZXQIMM-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CCCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117333 759189829 /nfs/dbraw/zinc/18/98/29/759189829.db2.gz KTMTVJKAYYUOMD-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117333 759189835 /nfs/dbraw/zinc/18/98/35/759189835.db2.gz KTMTVJKAYYUOMD-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731626 759245327 /nfs/dbraw/zinc/24/53/27/759245327.db2.gz GNOLAQGSVVOEPC-GWUWNPHMSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731626 759245332 /nfs/dbraw/zinc/24/53/32/759245332.db2.gz GNOLAQGSVVOEPC-GWUWNPHMSA-N 1 3 307.438 0.791 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147823858 767852611 /nfs/dbraw/zinc/85/26/11/767852611.db2.gz FBBQMYSSWGKGBZ-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001147825084 767852926 /nfs/dbraw/zinc/85/29/26/767852926.db2.gz NZXHFXMYOUPFHB-JSGCOSHPSA-N 1 3 310.442 0.091 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCc2ccc3nonc3c2)C1 ZINC001147885878 767861546 /nfs/dbraw/zinc/86/15/46/767861546.db2.gz QAOVGQGIOYDVKH-CYBMUJFWSA-N 1 3 317.393 0.770 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNCc2ccc3nonc3c2)C1 ZINC001147885878 767861554 /nfs/dbraw/zinc/86/15/54/767861554.db2.gz QAOVGQGIOYDVKH-CYBMUJFWSA-N 1 3 317.393 0.770 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147899964 767877577 /nfs/dbraw/zinc/87/75/77/767877577.db2.gz FASPPSQCWUNJMM-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147899964 767877583 /nfs/dbraw/zinc/87/75/83/767877583.db2.gz FASPPSQCWUNJMM-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NC1CCCCC1 ZINC001147970795 767889054 /nfs/dbraw/zinc/88/90/54/767889054.db2.gz PJBHSBYIDKWSAF-UHFFFAOYSA-N 1 3 322.453 0.237 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000076 767893874 /nfs/dbraw/zinc/89/38/74/767893874.db2.gz JRPVZRMJANPSSF-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086271671 759931527 /nfs/dbraw/zinc/93/15/27/759931527.db2.gz HQYDTHNZSXBKLM-KCQAQPDRSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086271671 759931533 /nfs/dbraw/zinc/93/15/33/759931533.db2.gz HQYDTHNZSXBKLM-KCQAQPDRSA-N 1 3 306.410 0.919 20 0 DCADHO COCCN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126006 760966551 /nfs/dbraw/zinc/96/65/51/760966551.db2.gz AAOQKXJGONTKKR-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070213454 761137987 /nfs/dbraw/zinc/13/79/87/761137987.db2.gz OUDMHQXDNJOYRT-ILXRZTDVSA-N 1 3 322.457 0.614 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070275670 761161295 /nfs/dbraw/zinc/16/12/95/761161295.db2.gz ZEGYZFKYQNHZRV-ZNMIVQPWSA-N 1 3 320.441 0.514 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@H](C)C(N)=O)C1 ZINC001112548453 761690669 /nfs/dbraw/zinc/69/06/69/761690669.db2.gz ABPIZHRFGCTRHT-KEYYUXOJSA-N 1 3 324.469 0.420 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086551933 761841384 /nfs/dbraw/zinc/84/13/84/761841384.db2.gz QILNAZTXOBJPPQ-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086551933 761841392 /nfs/dbraw/zinc/84/13/92/761841392.db2.gz QILNAZTXOBJPPQ-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129415759 762932043 /nfs/dbraw/zinc/93/20/43/762932043.db2.gz CELDGFHUTHQLGO-AWEZNQCLSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129415759 762932050 /nfs/dbraw/zinc/93/20/50/762932050.db2.gz CELDGFHUTHQLGO-AWEZNQCLSA-N 1 3 312.458 0.480 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449135 762938010 /nfs/dbraw/zinc/93/80/10/762938010.db2.gz IUYWTOZQGIIVJP-HNNXBMFYSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCOCC(F)(F)F)C1CC1 ZINC001129454478 762939215 /nfs/dbraw/zinc/93/92/15/762939215.db2.gz JMPMGVQCALAULC-LLVKDONJSA-N 1 3 311.348 0.611 20 0 DCADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)N1CCCCC1)C1CC1 ZINC001129436202 762942723 /nfs/dbraw/zinc/94/27/23/762942723.db2.gz NIUOIWWIFVUTDN-HNNXBMFYSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC001129437235 762944280 /nfs/dbraw/zinc/94/42/80/762944280.db2.gz YENQSRDYJJZCTD-INIZCTEOSA-N 1 3 305.422 0.725 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCCN1CCCC1=O)C1CCC1 ZINC001129535717 762961420 /nfs/dbraw/zinc/96/14/20/762961420.db2.gz ZRJOPQOUBQJVAJ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129844950 763022967 /nfs/dbraw/zinc/02/29/67/763022967.db2.gz AVPXUQGUOJKDPC-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129844950 763022971 /nfs/dbraw/zinc/02/29/71/763022971.db2.gz AVPXUQGUOJKDPC-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)N1CCCC1 ZINC001129854957 763024104 /nfs/dbraw/zinc/02/41/04/763024104.db2.gz AHLJKOWCZWBCCA-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)N1CCCC1 ZINC001129854957 763024110 /nfs/dbraw/zinc/02/41/10/763024110.db2.gz AHLJKOWCZWBCCA-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)n1 ZINC001129946996 763064178 /nfs/dbraw/zinc/06/41/78/763064178.db2.gz DRYGDNYRKZPJDS-AWEZNQCLSA-N 1 3 311.430 0.603 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCOC[C@H]1CCCO1)N(C)C ZINC001130205319 763178181 /nfs/dbraw/zinc/17/81/81/763178181.db2.gz KASJKZVJMLGVRV-ZIAGYGMSSA-N 1 3 301.431 0.228 20 0 DCADHO C[NH+](C)CCCC(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 ZINC001130412321 763290819 /nfs/dbraw/zinc/29/08/19/763290819.db2.gz OMHYVCQLWBMRDJ-ZDUSSCGKSA-N 1 3 323.441 0.149 20 0 DCADHO CCCNC(=O)CNCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556551 763381704 /nfs/dbraw/zinc/38/17/04/763381704.db2.gz MSDHEDFXJXLWAJ-UHFFFAOYSA-N 1 3 321.425 0.140 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001130711020 763449497 /nfs/dbraw/zinc/44/94/97/763449497.db2.gz LMPQCNPWVWNFGK-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001130711020 763449503 /nfs/dbraw/zinc/44/95/03/763449503.db2.gz LMPQCNPWVWNFGK-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100408145 763556912 /nfs/dbraw/zinc/55/69/12/763556912.db2.gz WOQISQCPWSERIK-LDZOIKDWSA-N 1 3 324.469 0.336 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2cncn2C)C1)C1CC1 ZINC001100408174 763557864 /nfs/dbraw/zinc/55/78/64/763557864.db2.gz XHLXPHGXBVIUTB-LDZOIKDWSA-N 1 3 319.453 0.745 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001100443695 763582274 /nfs/dbraw/zinc/58/22/74/763582274.db2.gz VYCANNWBKBHBTI-PESDSKBTSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCn3cccn3)C2)C1 ZINC001100678656 763718859 /nfs/dbraw/zinc/71/88/59/763718859.db2.gz SIYPQFVVDYJNEM-QQFBHYJXSA-N 1 3 319.453 0.709 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001100683634 763723030 /nfs/dbraw/zinc/72/30/30/763723030.db2.gz KYRQXUNUIGDZGZ-PIMMBPRGSA-N 1 3 322.457 0.623 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790261 764013498 /nfs/dbraw/zinc/01/34/98/764013498.db2.gz KDBDEYGPZBKPGV-INIZCTEOSA-N 1 3 324.469 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283673 764351816 /nfs/dbraw/zinc/35/18/16/764351816.db2.gz CEYSQMLAAZJQOC-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO COCCN1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132425789 764453041 /nfs/dbraw/zinc/45/30/41/764453041.db2.gz MFEUMCPZQGECEL-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294132 764580582 /nfs/dbraw/zinc/58/05/82/764580582.db2.gz LDAJPTFYFRHQQI-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001132736477 764612554 /nfs/dbraw/zinc/61/25/54/764612554.db2.gz ASJVCFQKLWIQSJ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001132736477 764612559 /nfs/dbraw/zinc/61/25/59/764612559.db2.gz ASJVCFQKLWIQSJ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132737421 764615176 /nfs/dbraw/zinc/61/51/76/764615176.db2.gz LXMWEBAVESEZIH-AWEZNQCLSA-N 1 3 312.458 0.340 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132737421 764615181 /nfs/dbraw/zinc/61/51/81/764615181.db2.gz LXMWEBAVESEZIH-AWEZNQCLSA-N 1 3 312.458 0.340 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532579 764682983 /nfs/dbraw/zinc/68/29/83/764682983.db2.gz TYNRBGATFRYAIP-YRGRVCCFSA-N 1 3 308.426 0.980 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532579 764682989 /nfs/dbraw/zinc/68/29/89/764682989.db2.gz TYNRBGATFRYAIP-YRGRVCCFSA-N 1 3 308.426 0.980 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132883519 764705942 /nfs/dbraw/zinc/70/59/42/764705942.db2.gz HDILIFPUTNGTLY-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893079 764714183 /nfs/dbraw/zinc/71/41/83/764714183.db2.gz JSHKDBZEEBJEMM-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893079 764714191 /nfs/dbraw/zinc/71/41/91/764714191.db2.gz JSHKDBZEEBJEMM-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO COc1cc(CNCCNC(=O)C2(C[NH+](C)C)CC2)ccn1 ZINC001132992792 764780630 /nfs/dbraw/zinc/78/06/30/764780630.db2.gz FWSRYJDGEUZMAY-UHFFFAOYSA-N 1 3 306.410 0.638 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001133275522 764904748 /nfs/dbraw/zinc/90/47/48/764904748.db2.gz TXCPKPOXUIWHMI-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285859 764905637 /nfs/dbraw/zinc/90/56/37/764905637.db2.gz LTQFPGFNMXWFRZ-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133288533 764907829 /nfs/dbraw/zinc/90/78/29/764907829.db2.gz ZEKVWQUZVJVSKC-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C(C)C)[NH+](C)C ZINC001133433827 764966795 /nfs/dbraw/zinc/96/67/95/764966795.db2.gz BWJBAGLGYKPVJT-ZIAGYGMSSA-N 1 3 314.474 0.534 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@@H](CC)[NH+](CC)CC)C(N)=O ZINC001133689968 765095571 /nfs/dbraw/zinc/09/55/71/765095571.db2.gz FRHRNUXMXRNIBB-ZIAGYGMSSA-N 1 3 314.474 0.857 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001103663861 765103604 /nfs/dbraw/zinc/10/36/04/765103604.db2.gz YFVACMLUYRRETL-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001103663861 765103605 /nfs/dbraw/zinc/10/36/05/765103605.db2.gz YFVACMLUYRRETL-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133831376 765162787 /nfs/dbraw/zinc/16/27/87/765162787.db2.gz NAIDCYYOJQPOHT-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133831376 765162788 /nfs/dbraw/zinc/16/27/88/765162788.db2.gz NAIDCYYOJQPOHT-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCC[C@@H]2C)C1 ZINC001133853969 765173477 /nfs/dbraw/zinc/17/34/77/765173477.db2.gz VACRJSRWLMCXEV-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCC[C@@H]2C)C1 ZINC001133853969 765173480 /nfs/dbraw/zinc/17/34/80/765173480.db2.gz VACRJSRWLMCXEV-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001133845578 765178364 /nfs/dbraw/zinc/17/83/64/765178364.db2.gz IZCOPKRDBLOSHR-GDBMZVCRSA-N 1 3 305.422 0.768 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc3nonc3c2)C1 ZINC001133845479 765178903 /nfs/dbraw/zinc/17/89/03/765178903.db2.gz HCXBLVWUTXCSPL-LBPRGKRZSA-N 1 3 317.393 0.770 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCC[C@@H](C)C2)C1 ZINC001133846110 765180113 /nfs/dbraw/zinc/18/01/13/765180113.db2.gz UFOUAFQTPMLCOR-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCC[C@@H](C)C2)C1 ZINC001133846110 765180117 /nfs/dbraw/zinc/18/01/17/765180117.db2.gz UFOUAFQTPMLCOR-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001133846073 765180414 /nfs/dbraw/zinc/18/04/14/765180414.db2.gz SNEUUSPTCDQDNA-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001133846073 765180418 /nfs/dbraw/zinc/18/04/18/765180418.db2.gz SNEUUSPTCDQDNA-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](COCC(=O)NCCNCc1cccnc1)[NH+]1CCCC1 ZINC001134054402 765311603 /nfs/dbraw/zinc/31/16/03/765311603.db2.gz ICSKEWNNLAHSAL-OAHLLOKOSA-N 1 3 320.437 0.788 20 0 DCADHO CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1nccn12 ZINC001092377762 768283002 /nfs/dbraw/zinc/28/30/02/768283002.db2.gz BUXSFLOFFHLQCT-KBPBESRZSA-N 1 3 317.437 0.959 20 0 DCADHO CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1nccn12 ZINC001092377762 768283006 /nfs/dbraw/zinc/28/30/06/768283006.db2.gz BUXSFLOFFHLQCT-KBPBESRZSA-N 1 3 317.437 0.959 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21 ZINC001114997786 765548377 /nfs/dbraw/zinc/54/83/77/765548377.db2.gz NLDRKMWDJPRFGL-QLPKVWCKSA-N 1 3 309.454 0.944 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21 ZINC001114997786 765548380 /nfs/dbraw/zinc/54/83/80/765548380.db2.gz NLDRKMWDJPRFGL-QLPKVWCKSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001115299759 765680905 /nfs/dbraw/zinc/68/09/05/765680905.db2.gz FQQWCQKDCOJJSP-FOLVSLTJSA-N 1 3 305.426 0.270 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001115299759 765680911 /nfs/dbraw/zinc/68/09/11/765680911.db2.gz FQQWCQKDCOJJSP-FOLVSLTJSA-N 1 3 305.426 0.270 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095758 765795753 /nfs/dbraw/zinc/79/57/53/765795753.db2.gz PYRNXSDXTMZAFW-CVEARBPZSA-N 1 3 319.453 0.951 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095758 765795760 /nfs/dbraw/zinc/79/57/60/765795760.db2.gz PYRNXSDXTMZAFW-CVEARBPZSA-N 1 3 319.453 0.951 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093802 765800822 /nfs/dbraw/zinc/80/08/22/765800822.db2.gz SGNJHZBKNYNYOF-DZGCQCFKSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093802 765800829 /nfs/dbraw/zinc/80/08/29/765800829.db2.gz SGNJHZBKNYNYOF-DZGCQCFKSA-N 1 3 305.426 0.643 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135743089 766085589 /nfs/dbraw/zinc/08/55/89/766085589.db2.gz DUCRLYVYHVVEDY-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](C[C@H](C)NCc1ccn(C)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938592 766177169 /nfs/dbraw/zinc/17/71/69/766177169.db2.gz LULJZSLKJNOALF-UONOGXRCSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001136032326 766215751 /nfs/dbraw/zinc/21/57/51/766215751.db2.gz ZDOQBLLIVQCHEK-NEPJUHHUSA-N 1 3 312.414 0.142 20 0 DCADHO N[C@H](CCC[NH3+])Nc1cnc(=O)n(Cc2ccc(F)cc2)c1 ZINC001170902914 766251750 /nfs/dbraw/zinc/25/17/50/766251750.db2.gz HHNRJPPOBQXVRB-AWEZNQCLSA-N 1 3 305.357 0.866 20 0 DCADHO CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090575867 766332336 /nfs/dbraw/zinc/33/23/36/766332336.db2.gz IJEUVJGCGHJBTH-IRXDYDNUSA-N 1 3 319.449 0.976 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161895 766863691 /nfs/dbraw/zinc/86/36/91/766863691.db2.gz RDKZQMUBCKHNCH-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)C[NH2+]C1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001091150960 766961050 /nfs/dbraw/zinc/96/10/50/766961050.db2.gz HVIMFQPTWLZNMJ-QFQXCOSMSA-N 1 3 321.465 0.990 20 0 DCADHO O=C(NCC1CC([NH2+]CCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001091151201 766961881 /nfs/dbraw/zinc/96/18/81/766961881.db2.gz PWNWHZJROHIHTE-MHCOZEDOSA-N 1 3 311.401 0.304 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120450386 767020783 /nfs/dbraw/zinc/02/07/83/767020783.db2.gz VPEFISVJASMJJE-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120450386 767020794 /nfs/dbraw/zinc/02/07/94/767020794.db2.gz VPEFISVJASMJJE-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC001120563551 767078592 /nfs/dbraw/zinc/07/85/92/767078592.db2.gz SHFRGTVFJMISBP-INIZCTEOSA-N 1 3 313.486 0.660 20 0 DCADHO N[C@@H](C(=O)N1CC[C@@]2(C1)CC(F)(F)CO2)C1CC[NH2+]CC1 ZINC001160771846 767303826 /nfs/dbraw/zinc/30/38/26/767303826.db2.gz HQZZWYXIAKXVIJ-YPMHNXCESA-N 1 3 303.353 0.340 20 0 DCADHO COCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121245518 767480335 /nfs/dbraw/zinc/48/03/35/767480335.db2.gz GVUCNKVQRZYWSV-UKEPKTAJSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@H](CNC(=O)CCSCCC[NH3+])CN1CCN(C)CC1 ZINC001121927943 767671340 /nfs/dbraw/zinc/67/13/40/767671340.db2.gz KFPKADVJNAIOCP-CQSZACIVSA-N 1 3 316.515 0.458 20 0 DCADHO [NH3+]CCCSCCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001122536244 767827924 /nfs/dbraw/zinc/82/79/24/767827924.db2.gz WIPQWCZXBHUTFS-UONOGXRCSA-N 1 3 315.483 0.516 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161203875 768496510 /nfs/dbraw/zinc/49/65/10/768496510.db2.gz JNSXIDPCZOTRRY-INIZCTEOSA-N 1 3 319.453 0.528 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)NC(C)C)CC1 ZINC001203005144 768514012 /nfs/dbraw/zinc/51/40/12/768514012.db2.gz LYRZMVVWPFSLSL-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203035682 768528872 /nfs/dbraw/zinc/52/88/72/768528872.db2.gz FNDCSWOKWMHYGT-ZIAGYGMSSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001093672720 768686998 /nfs/dbraw/zinc/68/69/98/768686998.db2.gz BJANCLCWQNZWSX-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cncn2C)[C@H](C)C1)N(C)C ZINC001093859076 768752782 /nfs/dbraw/zinc/75/27/82/768752782.db2.gz NVHVPNXAWQDNHQ-IIAWOOMASA-N 1 3 321.469 0.944 20 0 DCADHO CCN(CCCNC(=O)COCC[NH+](C)C)Cc1cccnc1 ZINC001230897947 768903339 /nfs/dbraw/zinc/90/33/39/768903339.db2.gz ABBQBDDYRUWXGY-UHFFFAOYSA-N 1 3 322.453 0.988 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150590096 769133334 /nfs/dbraw/zinc/13/33/34/769133334.db2.gz YQAAVHICVQQHQZ-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150590096 769133338 /nfs/dbraw/zinc/13/33/38/769133338.db2.gz YQAAVHICVQQHQZ-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)CCC ZINC001171769916 769372369 /nfs/dbraw/zinc/37/23/69/769372369.db2.gz HTSGHODSVLBSHS-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCN1CC[C@@H](N(CCC[NH+](C)C)CCC(=O)OC)CC1=O ZINC001172043385 769423011 /nfs/dbraw/zinc/42/30/11/769423011.db2.gz NOIIAMSBSZOSMD-CQSZACIVSA-N 1 3 313.442 0.814 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001152137325 769487888 /nfs/dbraw/zinc/48/78/88/769487888.db2.gz LHGGMHFFUUYMFT-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152222895 769510287 /nfs/dbraw/zinc/51/02/87/769510287.db2.gz FWBRMRLZYDMHJD-UHFFFAOYSA-N 1 3 307.442 0.810 20 0 DCADHO CCCC[C@H](NCCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152237812 769514623 /nfs/dbraw/zinc/51/46/23/769514623.db2.gz WTXLNHSWEVNBDQ-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001152457085 769563711 /nfs/dbraw/zinc/56/37/11/769563711.db2.gz BBPUMVJJNAEBKL-QWHCGFSZSA-N 1 3 319.396 0.991 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001152471298 769571754 /nfs/dbraw/zinc/57/17/54/769571754.db2.gz KQSCHUTTWBOHGM-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO [O-]c1ccc(F)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1F ZINC001235869877 769953288 /nfs/dbraw/zinc/95/32/88/769953288.db2.gz GANVXNZJLBDMDS-UHFFFAOYSA-N 1 3 314.380 0.255 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cnnn1C ZINC001175769678 769959705 /nfs/dbraw/zinc/95/97/05/769959705.db2.gz UMSARHYEUKXKCY-CQSZACIVSA-N 1 3 324.473 0.922 20 0 DCADHO CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN(CC)CC ZINC001175770265 769960459 /nfs/dbraw/zinc/96/04/59/769960459.db2.gz ZWCNDRPFOPZFFB-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC ZINC001176284468 770062238 /nfs/dbraw/zinc/06/22/38/770062238.db2.gz IDPUQRHBSIOJAM-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO Cc1ccc2c(c1)C1(C[C@H]2NS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238230686 770107116 /nfs/dbraw/zinc/10/71/16/770107116.db2.gz STDJXZZGYIJGEV-OAHLLOKOSA-N 1 3 323.462 0.939 20 0 DCADHO Cc1cccc2c1C1(C[C@@H]2NS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238558637 770117941 /nfs/dbraw/zinc/11/79/41/770117941.db2.gz NYPXDRTZWCMDLI-AWEZNQCLSA-N 1 3 323.462 0.939 20 0 DCADHO COc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)c(C)c1 ZINC001238879005 770140169 /nfs/dbraw/zinc/14/01/69/770140169.db2.gz MPARKXNYRLROOM-UHFFFAOYSA-N 1 3 315.439 0.610 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C ZINC001176754185 770168346 /nfs/dbraw/zinc/16/83/46/770168346.db2.gz SQEYMHKQBWHDKZ-CQSZACIVSA-N 1 3 314.474 0.679 20 0 DCADHO NCCS(=O)(=O)N(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239159580 770195441 /nfs/dbraw/zinc/19/54/41/770195441.db2.gz ABWQLZRRXXWCSZ-MQMHXKEQSA-N 1 3 312.439 0.442 20 0 DCADHO CCOC(=O)NC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364364 770211557 /nfs/dbraw/zinc/21/15/57/770211557.db2.gz WFYTVOAGSYFSES-SNVBAGLBSA-N 1 3 300.428 0.481 20 0 DCADHO COCCCNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363388 770211984 /nfs/dbraw/zinc/21/19/84/770211984.db2.gz PMKSNKVPZQRARI-LBPRGKRZSA-N 1 3 300.472 0.361 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176974818 770265787 /nfs/dbraw/zinc/26/57/87/770265787.db2.gz BVYXHBGAUALZCW-UHFFFAOYSA-N 1 3 300.447 0.195 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001176991418 770280906 /nfs/dbraw/zinc/28/09/06/770280906.db2.gz AUFVHLAKPFNQSV-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001176991809 770281762 /nfs/dbraw/zinc/28/17/62/770281762.db2.gz FBEACUPGSUZNMX-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO COC(=O)c1c[nH]c2ncnc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c12 ZINC001155543079 770539212 /nfs/dbraw/zinc/53/92/12/770539212.db2.gz AJPFOILKBZLXJF-XLKFXECMSA-N 1 3 303.322 0.287 20 0 DCADHO CN(Cc1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc1)C1CC1 ZINC001155580668 770554951 /nfs/dbraw/zinc/55/49/51/770554951.db2.gz NQFSITHVJGEHOQ-CJNGLKHVSA-N 1 3 301.394 0.666 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)nn1 ZINC001155790772 770619091 /nfs/dbraw/zinc/61/90/91/770619091.db2.gz NHGCHBBPSMMZRR-ZDUSSCGKSA-N 1 3 307.398 0.175 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178689763 770834245 /nfs/dbraw/zinc/83/42/45/770834245.db2.gz XZEQPZVXDZMKAP-SOUVJXGZSA-N 1 3 324.469 0.574 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689763 770834257 /nfs/dbraw/zinc/83/42/57/770834257.db2.gz XZEQPZVXDZMKAP-SOUVJXGZSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC(=O)NC ZINC001180121082 771065152 /nfs/dbraw/zinc/06/51/52/771065152.db2.gz GYHFLTFXCKHIBC-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cnnn1C ZINC001180124288 771066216 /nfs/dbraw/zinc/06/62/16/771066216.db2.gz SWZNZGUKXHPSOW-UHFFFAOYSA-N 1 3 324.473 0.923 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124967 771066619 /nfs/dbraw/zinc/06/66/19/771066619.db2.gz WZVGGQLNYFKHIL-GUTXKFCHSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180124967 771066623 /nfs/dbraw/zinc/06/66/23/771066623.db2.gz WZVGGQLNYFKHIL-GUTXKFCHSA-N 1 3 322.453 0.138 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001180372694 771113966 /nfs/dbraw/zinc/11/39/66/771113966.db2.gz HPZQIPAEXJQQPX-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001181885230 771364055 /nfs/dbraw/zinc/36/40/55/771364055.db2.gz SPUAEXXLNWSKKW-XJKCOSOUSA-N 1 3 312.458 0.147 20 0 DCADHO Cc1cc(CNCCNC(=O)[C@H](C)C[NH+]2CCOCC2)on1 ZINC001151152476 771456436 /nfs/dbraw/zinc/45/64/36/771456436.db2.gz UNWNRZOOPVFDJZ-GFCCVEGCSA-N 1 3 310.398 0.157 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1)N(C)C ZINC001182517007 771503266 /nfs/dbraw/zinc/50/32/66/771503266.db2.gz OJGAWWGAGDXTTD-XNRPHZJLSA-N 1 3 312.458 0.132 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676345 771526978 /nfs/dbraw/zinc/52/69/78/771526978.db2.gz IVIAALIADRSDLL-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676345 771526981 /nfs/dbraw/zinc/52/69/81/771526981.db2.gz IVIAALIADRSDLL-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183040420 771596160 /nfs/dbraw/zinc/59/61/60/771596160.db2.gz RYRLTVUAJKTCJV-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183040420 771596162 /nfs/dbraw/zinc/59/61/62/771596162.db2.gz RYRLTVUAJKTCJV-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCN(C(=O)[C@@H](N)CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC001157496571 771620303 /nfs/dbraw/zinc/62/03/03/771620303.db2.gz YFNBKGFTXXHXPW-HOTGVXAUSA-N 1 3 304.438 0.958 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1)C1CC1 ZINC001183266570 771630876 /nfs/dbraw/zinc/63/08/76/771630876.db2.gz DRQIZHVEAVQQDX-GDBMZVCRSA-N 1 3 322.453 0.043 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1)C1CCC1 ZINC001183288485 771632831 /nfs/dbraw/zinc/63/28/31/771632831.db2.gz JXXURNZGTICSIY-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC001157578855 771635693 /nfs/dbraw/zinc/63/56/93/771635693.db2.gz DSLASFCZTQQUST-IXDOHACOSA-N 1 3 321.465 0.945 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001183365669 771641991 /nfs/dbraw/zinc/64/19/91/771641991.db2.gz ICFNZXIERXVVIK-CQSZACIVSA-N 1 3 313.442 0.846 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183389116 771642552 /nfs/dbraw/zinc/64/25/52/771642552.db2.gz AAYZCCSJTKLGQH-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183389116 771642554 /nfs/dbraw/zinc/64/25/54/771642554.db2.gz AAYZCCSJTKLGQH-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001183450755 771650634 /nfs/dbraw/zinc/65/06/34/771650634.db2.gz YPGKGUOXYWIAOI-MCIONIFRSA-N 1 3 312.458 0.240 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCOCC(F)(F)C1 ZINC001157708037 771657077 /nfs/dbraw/zinc/65/70/77/771657077.db2.gz GKKIOUOCVIVSRV-LBPRGKRZSA-N 1 3 307.385 0.976 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCOCC(F)(F)C1 ZINC001157708297 771656696 /nfs/dbraw/zinc/65/66/96/771656696.db2.gz OITMIVQYBPNRQF-LLVKDONJSA-N 1 3 303.353 0.355 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCOCC(F)(F)C1 ZINC001157708297 771656702 /nfs/dbraw/zinc/65/67/02/771656702.db2.gz OITMIVQYBPNRQF-LLVKDONJSA-N 1 3 303.353 0.355 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001157721569 771659421 /nfs/dbraw/zinc/65/94/21/771659421.db2.gz ZWCDROZZAWTENX-IKGGRYGDSA-N 1 3 317.433 0.969 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183647763 771675805 /nfs/dbraw/zinc/67/58/05/771675805.db2.gz KGKOSASUHKSKOG-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+]1CCC(CN2CCN(c3ncnc4c3CNC4)CC2)CC1 ZINC001157838008 771678401 /nfs/dbraw/zinc/67/84/01/771678401.db2.gz NNPQYPGHZGBRNZ-UHFFFAOYSA-N 1 3 316.453 0.544 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCC(COc2cccnc2)CC1 ZINC001157951916 771701193 /nfs/dbraw/zinc/70/11/93/771701193.db2.gz HKTJZVMNROLEAZ-OAHLLOKOSA-N 1 3 306.410 0.765 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158030250 771716047 /nfs/dbraw/zinc/71/60/47/771716047.db2.gz RHSNYXIMVDVJEF-LSDHHAIUSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158030250 771716049 /nfs/dbraw/zinc/71/60/49/771716049.db2.gz RHSNYXIMVDVJEF-LSDHHAIUSA-N 1 3 319.453 0.890 20 0 DCADHO [NH3+]Cc1cccc(-c2nnn(-c3ncc4c(n3)CCNC4)n2)c1 ZINC001158042994 771718598 /nfs/dbraw/zinc/71/85/98/771718598.db2.gz UFHUCMYYFHUGTH-UHFFFAOYSA-N 1 3 308.349 0.224 20 0 DCADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@]3(C1)CNCCO3)CC2 ZINC001158081476 771723504 /nfs/dbraw/zinc/72/35/04/771723504.db2.gz DJQRGPYNOOCYAN-CXAGYDPISA-N 1 3 307.438 0.875 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001158305460 771756022 /nfs/dbraw/zinc/75/60/22/771756022.db2.gz IMZBJVHLFVEPQF-CWRNSKLLSA-N 1 3 303.406 0.775 20 0 DCADHO O=C([C@@H]1C[NH2+]C[C@H](O)C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158326976 771759566 /nfs/dbraw/zinc/75/95/66/771759566.db2.gz CHISKNJEEYJSDC-LQKXBSAESA-N 1 3 301.390 0.055 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001158379993 771765706 /nfs/dbraw/zinc/76/57/06/771765706.db2.gz JILMMZBWVKDVHS-TZMCWYRMSA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001158379993 771765708 /nfs/dbraw/zinc/76/57/08/771765708.db2.gz JILMMZBWVKDVHS-TZMCWYRMSA-N 1 3 321.425 0.421 20 0 DCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@]1(C)CC[NH2+]C1)CC2 ZINC001158890851 771831559 /nfs/dbraw/zinc/83/15/59/771831559.db2.gz OSEJCFRLCHJEIZ-INIZCTEOSA-N 1 3 322.453 0.189 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001185085134 771858762 /nfs/dbraw/zinc/85/87/62/771858762.db2.gz LXZXFHPSIKLXRT-JSGCOSHPSA-N 1 3 322.457 0.639 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230114 771882127 /nfs/dbraw/zinc/88/21/27/771882127.db2.gz LTGPVANSAIYBMM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001185230123 771882583 /nfs/dbraw/zinc/88/25/83/771882583.db2.gz MBVHZKCNRLIFGV-GFCCVEGCSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1cnc2n1CCC21CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001159381809 771903622 /nfs/dbraw/zinc/90/36/22/771903622.db2.gz HALIACDGBWDASN-ZDUSSCGKSA-N 1 3 305.426 0.522 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650035 771939268 /nfs/dbraw/zinc/93/92/68/771939268.db2.gz ASKVRUSUNKGSDD-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650035 771939271 /nfs/dbraw/zinc/93/92/71/771939271.db2.gz ASKVRUSUNKGSDD-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185762650 771953222 /nfs/dbraw/zinc/95/32/22/771953222.db2.gz OOVLKTFQEIEYKX-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])CC[C@H]21 ZINC001159783744 771957460 /nfs/dbraw/zinc/95/74/60/771957460.db2.gz WWQGCGNBQYPPEM-MGPQQGTHSA-N 1 3 310.442 0.158 20 0 DCADHO COC(=O)c1cc2c(OC)[nH]c(N[C@H](N)CCC[NH3+])cc-2n1 ZINC001159784115 771957543 /nfs/dbraw/zinc/95/75/43/771957543.db2.gz HFQXIMJCRBSGDQ-NSHDSACASA-N 1 3 307.354 0.794 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001185924922 771977008 /nfs/dbraw/zinc/97/70/08/771977008.db2.gz HMACVHLQIZSRET-HIFRSBDPSA-N 1 3 322.409 0.338 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cn1 ZINC001159932970 771980217 /nfs/dbraw/zinc/98/02/17/771980217.db2.gz XDZHKWXYZAIZQU-HNNXBMFYSA-N 1 3 305.426 0.721 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1)C1CCC1 ZINC001160003586 771987265 /nfs/dbraw/zinc/98/72/65/771987265.db2.gz WAMRZMZNSRJPTD-UHFFFAOYSA-N 1 3 323.397 0.193 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC1CC1)N(C)C ZINC001160420970 772034772 /nfs/dbraw/zinc/03/47/72/772034772.db2.gz NEZYDYWAAQJJAA-HNNXBMFYSA-N 1 3 312.458 0.195 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC(OCc2ccccc2)C1 ZINC001160490999 772049328 /nfs/dbraw/zinc/04/93/28/772049328.db2.gz PFAFMADCTSWSSV-AWEZNQCLSA-N 1 3 309.435 0.433 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@@H](c2ccccc2)C1 ZINC001160529988 772059470 /nfs/dbraw/zinc/05/94/70/772059470.db2.gz DHZLUIVQMMHYIU-HUUCEWRRSA-N 1 3 301.390 0.396 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC001160538275 772060980 /nfs/dbraw/zinc/06/09/80/772060980.db2.gz GTAHVUFXPSPSCC-AWEZNQCLSA-N 1 3 319.409 0.429 20 0 DCADHO Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2C[NH2+]CC23CNC3)no1 ZINC001160549701 772063800 /nfs/dbraw/zinc/06/38/00/772063800.db2.gz VNQXHFBDCVMRSS-RYUDHWBXSA-N 1 3 305.382 0.241 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2nccc3occc32)CC1 ZINC001160588707 772072594 /nfs/dbraw/zinc/07/25/94/772072594.db2.gz FORLVOPHRQEVPF-ZDUSSCGKSA-N 1 3 317.393 0.543 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)CC1 ZINC001186732422 772080725 /nfs/dbraw/zinc/08/07/25/772080725.db2.gz WRIAGWLVKKRVTN-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1ccc(CSC[C@H](N)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160643373 772084273 /nfs/dbraw/zinc/08/42/73/772084273.db2.gz FVWBEWMTUXXGIB-GJZGRUSLSA-N 1 3 323.462 0.742 20 0 DCADHO CCCC[C@H](N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C(N)=O ZINC001186834587 772092448 /nfs/dbraw/zinc/09/24/48/772092448.db2.gz RTJPRKAHECNODE-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CCCC[C@H](N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C(N)=O ZINC001186834587 772092454 /nfs/dbraw/zinc/09/24/54/772092454.db2.gz RTJPRKAHECNODE-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC001186817483 772095620 /nfs/dbraw/zinc/09/56/20/772095620.db2.gz UARWGBKRJXYZQQ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC001186817483 772095627 /nfs/dbraw/zinc/09/56/27/772095627.db2.gz UARWGBKRJXYZQQ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCOC(=O)[C@]12CN(C(=O)[C@H](C)N3CCCC3)C[C@H]1C[NH2+]CC2 ZINC001160811305 772114035 /nfs/dbraw/zinc/11/40/35/772114035.db2.gz NCXWZZHKAMYTRB-JJRVBVJISA-N 1 3 323.437 0.472 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001160833599 772118148 /nfs/dbraw/zinc/11/81/48/772118148.db2.gz RFTMXYIWZXZIOD-OAHLLOKOSA-N 1 3 313.405 0.823 20 0 DCADHO CC(=O)c1ccc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001160849335 772123288 /nfs/dbraw/zinc/12/32/88/772123288.db2.gz PKZSRUPGGXTNTM-INIZCTEOSA-N 1 3 313.401 0.583 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(C)C)N(C)C ZINC001160889694 772132938 /nfs/dbraw/zinc/13/29/38/772132938.db2.gz PPJZUXZBQZQUQU-HUUCEWRRSA-N 1 3 317.474 0.456 20 0 DCADHO CCCC[C@@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001187122452 772138340 /nfs/dbraw/zinc/13/83/40/772138340.db2.gz SUIDVXBVJLEWOV-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO N[C@H](C(=O)N1CCOC[C@H]1c1cccnc1)C1CC[NH2+]CC1 ZINC001160950815 772142081 /nfs/dbraw/zinc/14/20/81/772142081.db2.gz HNGLGPZQTHLGTL-GJZGRUSLSA-N 1 3 304.394 0.308 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161169548 772180321 /nfs/dbraw/zinc/18/03/21/772180321.db2.gz CWGSVLMFIJHNOY-GJZGRUSLSA-N 1 3 323.441 0.036 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203661370 772180541 /nfs/dbraw/zinc/18/05/41/772180541.db2.gz UEUPQFOTHRGULW-UONOGXRCSA-N 1 3 306.410 0.660 20 0 DCADHO NCc1ccc(C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)cn1 ZINC001161382469 772215210 /nfs/dbraw/zinc/21/52/10/772215210.db2.gz YVAXPDISQRZCTG-HNNXBMFYSA-N 1 3 303.410 0.178 20 0 DCADHO CN(C)CCN(C(=O)c1cnc2c(c1)CCN2)[C@@H]1CCC[NH2+]C1 ZINC001161450105 772225483 /nfs/dbraw/zinc/22/54/83/772225483.db2.gz ATXULSCAWFRMRO-OAHLLOKOSA-N 1 3 317.437 0.344 20 0 DCADHO CCCCOC(=O)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161462490 772227458 /nfs/dbraw/zinc/22/74/58/772227458.db2.gz ZHGRVULJHISWCB-JJRVBVJISA-N 1 3 323.437 0.377 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC1CCCC1)CC2 ZINC001161476832 772230080 /nfs/dbraw/zinc/23/00/80/772230080.db2.gz FCSPZHNFBHWPIR-GRDNDAEWSA-N 1 3 323.437 0.648 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC1CCC1)CC2 ZINC001161476074 772230255 /nfs/dbraw/zinc/23/02/55/772230255.db2.gz APIBLTKPATVQCA-XEZPLFJOSA-N 1 3 309.410 0.258 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C1CCCCC1)CC2 ZINC001161478139 772231002 /nfs/dbraw/zinc/23/10/02/772231002.db2.gz KVSVODFITAOLMO-JKIFEVAISA-N 1 3 323.437 0.648 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834778 772231324 /nfs/dbraw/zinc/23/13/24/772231324.db2.gz HLAWXVYBFRVANB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001188106821 772266962 /nfs/dbraw/zinc/26/69/62/772266962.db2.gz XUGALFJSOHZANC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](F)CC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162871998 772427528 /nfs/dbraw/zinc/42/75/28/772427528.db2.gz CNPALZALLRVEPX-RXFTYZNJSA-N 1 3 313.417 0.694 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189471600 772477193 /nfs/dbraw/zinc/47/71/93/772477193.db2.gz WXRMJFFKMFEIPB-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189471600 772477197 /nfs/dbraw/zinc/47/71/97/772477197.db2.gz WXRMJFFKMFEIPB-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CCOCCN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820194 772537952 /nfs/dbraw/zinc/53/79/52/772537952.db2.gz VMGDXVCSIURIKO-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001189890504 772561361 /nfs/dbraw/zinc/56/13/61/772561361.db2.gz FDTCDDNHKILFBC-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001189890504 772561364 /nfs/dbraw/zinc/56/13/64/772561364.db2.gz FDTCDDNHKILFBC-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1 ZINC001163821232 772577641 /nfs/dbraw/zinc/57/76/41/772577641.db2.gz MAWBWPBURIJJOG-CQSZACIVSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1cc(C[NH2+]CC2(CCNC(=O)[C@H]3CCCN3C)CC2)cn1 ZINC001163821083 772577654 /nfs/dbraw/zinc/57/76/54/772577654.db2.gz KMPGFYJDHUKVEO-OAHLLOKOSA-N 1 3 319.453 0.890 20 0 DCADHO c1nc2c(n1-c1ccc(OCC3CC[NH2+]CC3)nn1)CNCC2 ZINC001164317234 772645545 /nfs/dbraw/zinc/64/55/45/772645545.db2.gz PVMXJAFWEPHULV-UHFFFAOYSA-N 1 3 314.393 0.686 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)CCC1 ZINC001190644486 772656569 /nfs/dbraw/zinc/65/65/69/772656569.db2.gz IRJMEYRFJQPKSN-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)CCC1 ZINC001190644486 772656571 /nfs/dbraw/zinc/65/65/71/772656571.db2.gz IRJMEYRFJQPKSN-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165502216 772743656 /nfs/dbraw/zinc/74/36/56/772743656.db2.gz YWGPYGMMVWCWLI-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCc1ccnn1C)N(C)C ZINC001166010300 772778442 /nfs/dbraw/zinc/77/84/42/772778442.db2.gz NRERBKAJPZLQQG-OAHLLOKOSA-N 1 3 309.458 0.645 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCN1CCCC1=O)N(C)C ZINC001166009887 772778640 /nfs/dbraw/zinc/77/86/40/772778640.db2.gz AXILULICSKPAER-OAHLLOKOSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cnc(OC)nc1C)N(C)C ZINC001166858116 772871422 /nfs/dbraw/zinc/87/14/22/772871422.db2.gz NGXALIZTJOEFNT-AWEZNQCLSA-N 1 3 323.441 0.730 20 0 DCADHO CN(CCN1CCCC1=O)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152772 772875886 /nfs/dbraw/zinc/87/58/86/772875886.db2.gz JFESKLHPZRKFKU-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001192162284 772877414 /nfs/dbraw/zinc/87/74/14/772877414.db2.gz NVBNDPIESGOHKE-OAHLLOKOSA-N 1 3 322.457 0.379 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001204798989 772962637 /nfs/dbraw/zinc/96/26/37/772962637.db2.gz QATAKNIZNDFOBA-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001206890589 773121891 /nfs/dbraw/zinc/12/18/91/773121891.db2.gz YTYBONYGUCUUIH-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001193892517 773125413 /nfs/dbraw/zinc/12/54/13/773125413.db2.gz QLNBEZFEZHRUCS-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892517 773125415 /nfs/dbraw/zinc/12/54/15/773125415.db2.gz QLNBEZFEZHRUCS-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC001194294785 773179653 /nfs/dbraw/zinc/17/96/53/773179653.db2.gz NDIXYKFEENMOAD-OAHLLOKOSA-N 1 3 307.442 0.756 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC001194294785 773179655 /nfs/dbraw/zinc/17/96/55/773179655.db2.gz NDIXYKFEENMOAD-OAHLLOKOSA-N 1 3 307.442 0.756 20 0 DCADHO CCOc1cc(C(=O)N(CC[NH+](CC)CC)C(=N)N)cnn1 ZINC001194463858 773190762 /nfs/dbraw/zinc/19/07/62/773190762.db2.gz MOHFBUNEDRBFAZ-UHFFFAOYSA-N 1 3 308.386 0.553 20 0 DCADHO CN1CC2(C1)CC[NH+](CC1CCN(S(C)(=O)=O)CC1)CC2 ZINC001207450928 773209771 /nfs/dbraw/zinc/20/97/71/773209771.db2.gz USSCAJJPFMNFGE-UHFFFAOYSA-N 1 3 315.483 0.686 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328158 773434017 /nfs/dbraw/zinc/43/40/17/773434017.db2.gz ADXPONBOYZIITC-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208329422 773435146 /nfs/dbraw/zinc/43/51/46/773435146.db2.gz VSMIJBZDJRQBIN-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001152237615 773471398 /nfs/dbraw/zinc/47/13/98/773471398.db2.gz RTLAMYJSEKAKHB-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(N)=O ZINC001208769279 773527011 /nfs/dbraw/zinc/52/70/11/773527011.db2.gz JMCYWFJQSPSXDB-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](O)CN1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367473 773584969 /nfs/dbraw/zinc/58/49/69/773584969.db2.gz ZCDPZLYONJSMTD-OAHLLOKOSA-N 1 3 320.437 0.823 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)N(C)C ZINC001209304780 773587974 /nfs/dbraw/zinc/58/79/74/773587974.db2.gz UFLUGZLPEXCJNW-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209446010 773605128 /nfs/dbraw/zinc/60/51/28/773605128.db2.gz QDKYXBZPHMNLPQ-AWEZNQCLSA-N 1 3 322.457 0.639 20 0 DCADHO CCc1nc([C@H](C)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209455467 773606846 /nfs/dbraw/zinc/60/68/46/773606846.db2.gz SVUZRGGGZSZIDG-STQMWFEESA-N 1 3 322.457 0.960 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659743 773631808 /nfs/dbraw/zinc/63/18/08/773631808.db2.gz IBYTYFKNCBWKKI-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)OCCN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330468 773699140 /nfs/dbraw/zinc/69/91/40/773699140.db2.gz ZHUOOUHUUBFIJS-HUUCEWRRSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426484 773707693 /nfs/dbraw/zinc/70/76/93/773707693.db2.gz GQACZSGTVADALP-HUUCEWRRSA-N 1 3 315.458 0.164 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064192 773765451 /nfs/dbraw/zinc/76/54/51/773765451.db2.gz JSNXKETWFMBREW-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064192 773765458 /nfs/dbraw/zinc/76/54/58/773765458.db2.gz JSNXKETWFMBREW-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860960 774019226 /nfs/dbraw/zinc/01/92/26/774019226.db2.gz CCVLVKZTBBUZFU-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC(=O)N(C)C2CC2)CC1 ZINC001203925093 774020156 /nfs/dbraw/zinc/02/01/56/774020156.db2.gz KGDPHRNPQWXDAI-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925178 774022779 /nfs/dbraw/zinc/02/27/79/774022779.db2.gz LNQQBBNHSMJFLW-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199080614 774027267 /nfs/dbraw/zinc/02/72/67/774027267.db2.gz APULGGWUJULQBT-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001199080614 774027274 /nfs/dbraw/zinc/02/72/74/774027274.db2.gz APULGGWUJULQBT-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001199080614 774027281 /nfs/dbraw/zinc/02/72/81/774027281.db2.gz APULGGWUJULQBT-OAGGEKHMSA-N 1 3 311.470 0.924 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214952804 774028604 /nfs/dbraw/zinc/02/86/04/774028604.db2.gz NAPYUSAOGRTJCC-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456470 774073727 /nfs/dbraw/zinc/07/37/27/774073727.db2.gz WILSRZGRDZUGFK-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551404 774082692 /nfs/dbraw/zinc/08/26/92/774082692.db2.gz QPFAWYCOYAHMCH-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)c1ccncc1C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001199349335 774086006 /nfs/dbraw/zinc/08/60/06/774086006.db2.gz GYGUHNPCBYSSRW-LBPRGKRZSA-N 1 3 304.394 0.693 20 0 DCADHO CN(C)c1ccncc1C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001199349335 774086009 /nfs/dbraw/zinc/08/60/09/774086009.db2.gz GYGUHNPCBYSSRW-LBPRGKRZSA-N 1 3 304.394 0.693 20 0 DCADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001215973073 774096012 /nfs/dbraw/zinc/09/60/12/774096012.db2.gz PBDRKXYBDUDUGI-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001215998834 774098467 /nfs/dbraw/zinc/09/84/67/774098467.db2.gz DMDDAISULFVRMP-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001216217206 774109101 /nfs/dbraw/zinc/10/91/01/774109101.db2.gz KRVCGRQGPOXETI-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001216217206 774109103 /nfs/dbraw/zinc/10/91/03/774109103.db2.gz KRVCGRQGPOXETI-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001216225691 774109837 /nfs/dbraw/zinc/10/98/37/774109837.db2.gz JLMKROCGZRNISL-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001216225691 774109840 /nfs/dbraw/zinc/10/98/40/774109840.db2.gz JLMKROCGZRNISL-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216751893 774133612 /nfs/dbraw/zinc/13/36/12/774133612.db2.gz BQQXZNZIJLLVLR-QLFBSQMISA-N 1 3 324.469 0.147 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216751893 774133614 /nfs/dbraw/zinc/13/36/14/774133614.db2.gz BQQXZNZIJLLVLR-QLFBSQMISA-N 1 3 324.469 0.147 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001216844812 774142174 /nfs/dbraw/zinc/14/21/74/774142174.db2.gz KIWDSMBYTKXGAN-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001216851812 774143674 /nfs/dbraw/zinc/14/36/74/774143674.db2.gz IZCVIUBHKMGMCE-HUUCEWRRSA-N 1 3 307.442 0.660 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788678 774199298 /nfs/dbraw/zinc/19/92/98/774199298.db2.gz XBHNKGXTOLFMOD-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1Oc1cc(C[C@H](N)C(=O)N(C)C)ccc1O ZINC001218034998 774209877 /nfs/dbraw/zinc/20/98/77/774209877.db2.gz ADPSJISEIHKDGT-IFUGULHKSA-N 1 3 307.394 0.337 20 0 DCADHO C[C@@H]1C[C@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)C[NH2+]1 ZINC001218050715 774210993 /nfs/dbraw/zinc/21/09/93/774210993.db2.gz ROHYQQSBVSYIJX-WXHSDQCUSA-N 1 3 307.394 0.479 20 0 DCADHO C[C@H]1CC[C@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)C[NH2+]1 ZINC001218409809 774224034 /nfs/dbraw/zinc/22/40/34/774224034.db2.gz WEQGQKSRIYYCLS-UBHSHLNASA-N 1 3 321.421 0.870 20 0 DCADHO O=C(Nc1cccnc1-n1cccn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218504850 774230226 /nfs/dbraw/zinc/23/02/26/774230226.db2.gz ZRQDHARBYLNIBX-MLGOLLRUSA-N 1 3 312.377 0.405 20 0 DCADHO Cc1[nH]nc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1Br ZINC001218523708 774236188 /nfs/dbraw/zinc/23/61/88/774236188.db2.gz FUNMOSIHVXUUAS-VIFPVBQESA-N 1 3 316.203 0.746 20 0 DCADHO Cc1cc2ncc(C)c(NC(=O)[C@@H]3C[NH2+]CC34CNC4)n2n1 ZINC001218525970 774237242 /nfs/dbraw/zinc/23/72/42/774237242.db2.gz MLQGEHBRDAKRRY-NSHDSACASA-N 1 3 300.366 0.094 20 0 DCADHO Cn1nc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c2ccc(Cl)nc21 ZINC001218572537 774252616 /nfs/dbraw/zinc/25/26/16/774252616.db2.gz IRSARUMXJBQNEG-SECBINFHSA-N 1 3 320.784 0.369 20 0 DCADHO Cc1cc(C)c2c(NC(=O)[C@@H]3C[NH2+]CC34CNC4)nn(C)c2n1 ZINC001218660246 774275568 /nfs/dbraw/zinc/27/55/68/774275568.db2.gz CZEFAZGWWHJUSJ-NSHDSACASA-N 1 3 314.393 0.333 20 0 DCADHO Cc1cc(C)c2c(NC(=O)[C@H]3C[NH2+]CC34CNC4)nn(C)c2n1 ZINC001218660244 774275686 /nfs/dbraw/zinc/27/56/86/774275686.db2.gz CZEFAZGWWHJUSJ-LLVKDONJSA-N 1 3 314.393 0.333 20 0 DCADHO Nc1cccnc1N(C(=O)[C@H]1CNC[C@H](F)C1)C1CC[NH2+]CC1 ZINC001218694708 774281377 /nfs/dbraw/zinc/28/13/77/774281377.db2.gz CXTSQUNIODIRMB-VXGBXAGGSA-N 1 3 321.400 0.696 20 0 DCADHO Nc1cn(C(=O)[C@H]2CNCCN2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708823 774284900 /nfs/dbraw/zinc/28/49/00/774284900.db2.gz IFCLUDPFXJDARW-CQSZACIVSA-N 1 3 315.352 0.557 20 0 DCADHO N[C@H](C(=O)Nc1ccnn1-c1ccncc1)C1CC[NH2+]CC1 ZINC001218742478 774294401 /nfs/dbraw/zinc/29/44/01/774294401.db2.gz FIGYJCRFVPBUFX-AWEZNQCLSA-N 1 3 300.366 0.533 20 0 DCADHO CNC(=O)c1cccnc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218765678 774299570 /nfs/dbraw/zinc/29/95/70/774299570.db2.gz ZXPRGJAZUTVRNO-LBPRGKRZSA-N 1 3 307.398 0.439 20 0 DCADHO N[C@H](C(=O)Nc1ccc2c(c1)C(=O)NCCO2)C1CC[NH2+]CC1 ZINC001218816901 774309009 /nfs/dbraw/zinc/30/90/09/774309009.db2.gz NWJCQZZGJGVHBV-AWEZNQCLSA-N 1 3 318.377 0.074 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001115158983 774314604 /nfs/dbraw/zinc/31/46/04/774314604.db2.gz AYBVIEQXYPCFBC-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001115158983 774314612 /nfs/dbraw/zinc/31/46/12/774314612.db2.gz AYBVIEQXYPCFBC-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO O=C(Nc1ccc(C2OCCO2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218910892 774324434 /nfs/dbraw/zinc/32/44/34/774324434.db2.gz SDMQVEBTESIQCL-ZDUSSCGKSA-N 1 3 303.362 0.480 20 0 DCADHO COC(=O)c1n[nH]c2cccc(NC(=O)[C@@H](N)CCC[NH3+])c21 ZINC001218935103 774331403 /nfs/dbraw/zinc/33/14/03/774331403.db2.gz XPHZODTXWDQPBN-QMMMGPOBSA-N 1 3 305.338 0.354 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218994293 774344251 /nfs/dbraw/zinc/34/42/51/774344251.db2.gz CAZBHVXORJFVQX-TZMCWYRMSA-N 1 3 305.378 0.983 20 0 DCADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2COC3(CNC3)CN2)cc1 ZINC001219022223 774348398 /nfs/dbraw/zinc/34/83/98/774348398.db2.gz FQACODBRXPJLLE-HNNXBMFYSA-N 1 3 318.421 0.060 20 0 DCADHO COc1ccc2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2n1 ZINC001219406669 774480115 /nfs/dbraw/zinc/48/01/15/774480115.db2.gz CTVUFBDKIQWCTA-ZDUSSCGKSA-N 1 3 312.373 0.991 20 0 DCADHO CC(C)[C@H](C(=O)N1CCCO[C@H](CNCCF)C1)[NH+](C)C ZINC001201343316 774496743 /nfs/dbraw/zinc/49/67/43/774496743.db2.gz CTNXRQKLNSMHOG-ZIAGYGMSSA-N 1 3 303.422 0.749 20 0 DCADHO CO[C@@H]1CCN[C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219540836 774530373 /nfs/dbraw/zinc/53/03/73/774530373.db2.gz JDVCUAZPZXSHHH-ZSEWYUTFSA-N 1 3 317.389 0.840 20 0 DCADHO CCCC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001201706083 774541786 /nfs/dbraw/zinc/54/17/86/774541786.db2.gz JFELDXZQBDJRRW-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219644994 774570181 /nfs/dbraw/zinc/57/01/81/774570181.db2.gz HJUDKAPVRJYHIQ-FQUUOJAGSA-N 1 3 312.458 0.226 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737471 774595383 /nfs/dbraw/zinc/59/53/83/774595383.db2.gz WUKVPMWMUMWQGV-CVEARBPZSA-N 1 3 317.433 0.831 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1NCc2ccccc21 ZINC001219764671 774600826 /nfs/dbraw/zinc/60/08/26/774600826.db2.gz JRIFHZPCQAQTKD-IVMMDQJWSA-N 1 3 300.406 0.241 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1NCc2ccccc21 ZINC001219764671 774600833 /nfs/dbraw/zinc/60/08/33/774600833.db2.gz JRIFHZPCQAQTKD-IVMMDQJWSA-N 1 3 300.406 0.241 20 0 DCADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1NCc2ccccc21 ZINC001219764671 774600838 /nfs/dbraw/zinc/60/08/38/774600838.db2.gz JRIFHZPCQAQTKD-IVMMDQJWSA-N 1 3 300.406 0.241 20 0 DCADHO O=C(NC1CCN(C2CC[NH2+]CC2)CC1)c1coc2c1CNC2 ZINC001219798211 774611772 /nfs/dbraw/zinc/61/17/72/774611772.db2.gz PGCPORUQCBVOMW-UHFFFAOYSA-N 1 3 318.421 0.829 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919750 774645516 /nfs/dbraw/zinc/64/55/16/774645516.db2.gz LSIWOKACIXAYHS-CABCVRRESA-N 1 3 306.410 0.478 20 0 DCADHO CCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919656 774645961 /nfs/dbraw/zinc/64/59/61/774645961.db2.gz IATBDNNQKMBUOG-CABCVRRESA-N 1 3 306.410 0.479 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@@H](N)CCC[NH3+])c1ccc(OC)cc1 ZINC001219974954 774659177 /nfs/dbraw/zinc/65/91/77/774659177.db2.gz JKYUXIHJJVZOJQ-QWHCGFSZSA-N 1 3 309.366 0.092 20 0 DCADHO N=C(N)N(C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1F ZINC001220106048 774694801 /nfs/dbraw/zinc/69/48/01/774694801.db2.gz ACCFQYIWONUDGL-GFCCVEGCSA-N 1 3 319.384 0.926 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220112791 774697494 /nfs/dbraw/zinc/69/74/94/774697494.db2.gz AMVXRMAPYYLYBZ-GJZGRUSLSA-N 1 3 309.410 0.601 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220166668 774716346 /nfs/dbraw/zinc/71/63/46/774716346.db2.gz FEDOBPNOMVGZTH-VYDXJSESSA-N 1 3 324.469 0.659 20 0 DCADHO O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1[nH]nc2c1CCNC2 ZINC001220166125 774716942 /nfs/dbraw/zinc/71/69/42/774716942.db2.gz AFTFOYREVSWNIO-ZBEGNZNMSA-N 1 3 303.410 0.708 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496181 774724999 /nfs/dbraw/zinc/72/49/99/774724999.db2.gz PYCHCOQKABVDIV-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314103 774738778 /nfs/dbraw/zinc/73/87/78/774738778.db2.gz FCPVROOCWVTRSL-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO Cc1cccnc1[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001220256727 774747717 /nfs/dbraw/zinc/74/77/17/774747717.db2.gz CPJMJSFAIUJANP-JSGCOSHPSA-N 1 3 308.451 0.977 20 0 DCADHO O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220261104 774748516 /nfs/dbraw/zinc/74/85/16/774748516.db2.gz QXYJZYVRBZKGPX-TZMCWYRMSA-N 1 3 303.410 0.257 20 0 DCADHO C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220352788 774780478 /nfs/dbraw/zinc/78/04/78/774780478.db2.gz FGICBYZEHHJGEF-VHDGCEQUSA-N 1 3 319.405 0.909 20 0 DCADHO N[C@H](C(=O)NCc1cccnc1N1CCCC1)C1CC[NH2+]CC1 ZINC001220398811 774795800 /nfs/dbraw/zinc/79/58/00/774795800.db2.gz NQMUNKNRNDZCPK-HNNXBMFYSA-N 1 3 317.437 0.625 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220504362 774828212 /nfs/dbraw/zinc/82/82/12/774828212.db2.gz ZDFYTSMPVJWSQW-WHOFXGATSA-N 1 3 306.410 0.292 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC001220519237 774832654 /nfs/dbraw/zinc/83/26/54/774832654.db2.gz HKDCRIWFRSHZDZ-INIZCTEOSA-N 1 3 323.437 0.445 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)CCC1 ZINC001114403655 774842624 /nfs/dbraw/zinc/84/26/24/774842624.db2.gz WINVTDYEOUANID-FICVDOATSA-N 1 3 317.437 0.414 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)CCC1 ZINC001114403655 774842635 /nfs/dbraw/zinc/84/26/35/774842635.db2.gz WINVTDYEOUANID-FICVDOATSA-N 1 3 317.437 0.414 20 0 DCADHO CN[C@@H](CO)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611407 774863750 /nfs/dbraw/zinc/86/37/50/774863750.db2.gz XDCWQQLROISHBW-MNOVXSKESA-N 1 3 316.199 0.145 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC2CC2)CC1)N(C)C ZINC001202532463 774889436 /nfs/dbraw/zinc/88/94/36/774889436.db2.gz YOSFADJWRADWCH-DOMZBBRYSA-N 1 3 324.469 0.574 20 0 DCADHO CSc1ncc(Cl)c(CNC(=O)[C@H](N)CCC[NH3+])n1 ZINC001220714746 774900233 /nfs/dbraw/zinc/90/02/33/774900233.db2.gz YENPWJDYTMBOEL-MRVPVSSYSA-N 1 3 303.819 0.534 20 0 DCADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001220716187 774901167 /nfs/dbraw/zinc/90/11/67/774901167.db2.gz AJQJJUWOMBKHGS-NJSOBHLZSA-N 1 3 301.456 0.214 20 0 DCADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001220716187 774901172 /nfs/dbraw/zinc/90/11/72/774901172.db2.gz AJQJJUWOMBKHGS-NJSOBHLZSA-N 1 3 301.456 0.214 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NC[C@@H]1CN(c2ccccc2)CCO1 ZINC001220736161 774905416 /nfs/dbraw/zinc/90/54/16/774905416.db2.gz CIFMBEYZTWFZSS-CABCVRRESA-N 1 3 306.410 0.074 20 0 DCADHO O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1[nH]nc2c1CCNC2 ZINC001220807283 774920571 /nfs/dbraw/zinc/92/05/71/774920571.db2.gz DMEBQDIVDMFEIJ-BDAKNGLRSA-N 1 3 317.315 0.326 20 0 DCADHO CCOC(=O)[C@@H](CNC(=O)[C@@H](N)CCC[NH3+])c1ccccc1 ZINC001220876100 774941308 /nfs/dbraw/zinc/94/13/08/774941308.db2.gz DESJAWLVUTZKIA-KBPBESRZSA-N 1 3 307.394 0.516 20 0 DCADHO CCC(=O)N1CC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001220907176 774949364 /nfs/dbraw/zinc/94/93/64/774949364.db2.gz KNCCQCQDIBWXLJ-KBPBESRZSA-N 1 3 312.458 0.609 20 0 DCADHO Cc1cccc(C(C)(C)CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001220995268 774972756 /nfs/dbraw/zinc/97/27/56/774972756.db2.gz VFPSOQJGYZCYRA-ZDUSSCGKSA-N 1 3 302.422 0.593 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000316778523 774984429 /nfs/dbraw/zinc/98/44/29/774984429.db2.gz VGVQXOGQZYGBKZ-NQBHXWOUSA-N 1 3 321.343 0.508 20 0 DCADHO COc1cccnc1C(C)(C)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221170594 775015474 /nfs/dbraw/zinc/01/54/74/775015474.db2.gz OJIMGRPRTFAQMF-AWEZNQCLSA-N 1 3 320.437 0.811 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221194274 775022551 /nfs/dbraw/zinc/02/25/51/775022551.db2.gz PEBYXGYIXXDQHJ-NSHDSACASA-N 1 3 304.398 0.633 20 0 DCADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)C1 ZINC001221241658 775038963 /nfs/dbraw/zinc/03/89/63/775038963.db2.gz WLOJKHMXBRAZMH-HOTUBEGUSA-N 1 3 324.347 0.159 20 0 DCADHO C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cccc(N(C)C)c1 ZINC001221313944 775064792 /nfs/dbraw/zinc/06/47/92/775064792.db2.gz CPZWLEPYUDFQLA-FZMZJTMJSA-N 1 3 310.467 0.949 20 0 DCADHO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221391959 775083119 /nfs/dbraw/zinc/08/31/19/775083119.db2.gz PYZOWZATXKUYMZ-BLLLJJGKSA-N 1 3 304.438 0.943 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCC2(CC1)C[NH2+]CCO2 ZINC001222212160 775301164 /nfs/dbraw/zinc/30/11/64/775301164.db2.gz WIABJIPNGHFPKN-UHFFFAOYSA-N 1 3 308.451 0.743 20 0 DCADHO FC(F)(F)[C@@H]1N(C[C@H]2COCCN2)CCC12CC[NH2+]CC2 ZINC001222642616 775405498 /nfs/dbraw/zinc/40/54/98/775405498.db2.gz MBWGEOWUEPXJIM-NWDGAFQWSA-N 1 3 307.360 0.981 20 0 DCADHO CN(CC(=O)NC1CC[NH+](CCOCCO)CC1)C1CCC1 ZINC001227832801 776014949 /nfs/dbraw/zinc/01/49/49/776014949.db2.gz OPUTYGWAKSEWQQ-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO C[NH+](C)CCCC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001228904744 776136953 /nfs/dbraw/zinc/13/69/53/776136953.db2.gz VVSMCKGLXMKWEY-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001229184804 776166889 /nfs/dbraw/zinc/16/68/89/776166889.db2.gz CAGIDGCONHTBMR-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+](C)CCCCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001230094298 776250950 /nfs/dbraw/zinc/25/09/50/776250950.db2.gz RARTUPUXHRZDTO-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO COCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357655 777224742 /nfs/dbraw/zinc/22/47/42/777224742.db2.gz IAVWQQRUPNZKTI-NVXWUHKLSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357655 777224748 /nfs/dbraw/zinc/22/47/48/777224748.db2.gz IAVWQQRUPNZKTI-NVXWUHKLSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H](CO)[NH2+]CCCF)C1 ZINC001278154433 945159317 /nfs/dbraw/zinc/15/93/17/945159317.db2.gz DGGXFBGXRHPXRL-SWLSCSKDSA-N 1 3 321.412 0.625 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001267026880 939316414 /nfs/dbraw/zinc/31/64/14/939316414.db2.gz XUARDWCLHYGRKO-QWHCGFSZSA-N 1 3 319.396 0.941 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267171819 939370885 /nfs/dbraw/zinc/37/08/85/939370885.db2.gz OXGRKXLSROMNJR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267171819 939370886 /nfs/dbraw/zinc/37/08/86/939370886.db2.gz OXGRKXLSROMNJR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496207491 939468635 /nfs/dbraw/zinc/46/86/35/939468635.db2.gz QDPXCWREJIFMDE-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496207491 939468638 /nfs/dbraw/zinc/46/86/38/939468638.db2.gz QDPXCWREJIFMDE-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)Cc1ccn(C)c(=O)c1 ZINC001481019500 939524613 /nfs/dbraw/zinc/52/46/13/939524613.db2.gz VMAAYUOBIIRQNX-UHFFFAOYSA-N 1 3 322.453 0.664 20 0 DCADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)Cc1ccn(C)c(=O)c1 ZINC001481019500 939524615 /nfs/dbraw/zinc/52/46/15/939524615.db2.gz VMAAYUOBIIRQNX-UHFFFAOYSA-N 1 3 322.453 0.664 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481231670 939655507 /nfs/dbraw/zinc/65/55/07/939655507.db2.gz LEPWUDQZQWMQDH-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481231670 939655508 /nfs/dbraw/zinc/65/55/08/939655508.db2.gz LEPWUDQZQWMQDH-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCC(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)CC1 ZINC001414184929 939685586 /nfs/dbraw/zinc/68/55/86/939685586.db2.gz HJIGDXTZIDZRKY-CQSZACIVSA-N 1 3 304.456 0.512 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC2CCCC2)C1 ZINC001481279414 939703491 /nfs/dbraw/zinc/70/34/91/939703491.db2.gz HNHJMRGSLPWPAI-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC2CCCC2)C1 ZINC001481279414 939703492 /nfs/dbraw/zinc/70/34/92/939703492.db2.gz HNHJMRGSLPWPAI-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001481300627 939728755 /nfs/dbraw/zinc/72/87/55/939728755.db2.gz DQAGYNXHYKGWRV-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001481459432 939807067 /nfs/dbraw/zinc/80/70/67/939807067.db2.gz ZOUGPKLGYIOCSN-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001481459432 939807072 /nfs/dbraw/zinc/80/70/72/939807072.db2.gz ZOUGPKLGYIOCSN-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001481468675 939883948 /nfs/dbraw/zinc/88/39/48/939883948.db2.gz JUNWVRSBQIKTBQ-INIZCTEOSA-N 1 3 308.470 0.424 20 0 DCADHO CN(CC(=O)NCC1C[NH+](CC2CCOCC2)C1)C1CCC1 ZINC001481629300 939980662 /nfs/dbraw/zinc/98/06/62/939980662.db2.gz DJXBNGUXBIQLSR-UHFFFAOYSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCOCCO ZINC001268192509 939986703 /nfs/dbraw/zinc/98/67/03/939986703.db2.gz POGMQELFIHCAGN-HIFRSBDPSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481644344 939997815 /nfs/dbraw/zinc/99/78/15/939997815.db2.gz GZFZIYIDCOEIJS-BLLLJJGKSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481644344 939997818 /nfs/dbraw/zinc/99/78/18/939997818.db2.gz GZFZIYIDCOEIJS-BLLLJJGKSA-N 1 3 315.433 0.628 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001268303466 940041763 /nfs/dbraw/zinc/04/17/63/940041763.db2.gz ANEYXTNVCJLQDJ-FSMZVQOTSA-N 1 3 303.834 0.678 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001481874332 940168212 /nfs/dbraw/zinc/16/82/12/940168212.db2.gz GFIIKGSACKCJDL-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001481874332 940168213 /nfs/dbraw/zinc/16/82/13/940168213.db2.gz GFIIKGSACKCJDL-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)C(=O)CNC/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268591479 940272666 /nfs/dbraw/zinc/27/26/66/940272666.db2.gz RBIRSAKDJHCNSA-YVACAVLKSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)C(=O)CNC/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268591479 940272669 /nfs/dbraw/zinc/27/26/69/940272669.db2.gz RBIRSAKDJHCNSA-YVACAVLKSA-N 1 3 324.469 0.457 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+][C@@H](C)C(N)=O ZINC001482145410 940282663 /nfs/dbraw/zinc/28/26/63/940282663.db2.gz YRRRTTMDHKCUBN-RYUDHWBXSA-N 1 3 300.447 0.180 20 0 DCADHO O[C@@]1(CN2CCCn3cnc(CNC4CCC4)c3C2)CC[NH2+]C1 ZINC001246042543 945329111 /nfs/dbraw/zinc/32/91/11/945329111.db2.gz XPWJTCYEYDLPLG-KRWDZBQOSA-N 1 3 319.453 0.455 20 0 DCADHO COCCCCN1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001269236177 940657181 /nfs/dbraw/zinc/65/71/81/940657181.db2.gz XBXPJVQMNLXVOC-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001270263328 940867653 /nfs/dbraw/zinc/86/76/53/940867653.db2.gz KNXAIVGURNSNFM-CJNGLKHVSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)CN1 ZINC001246210055 945361386 /nfs/dbraw/zinc/36/13/86/945361386.db2.gz ODOXAEGJNAMUFL-VRPMWHRCSA-N 1 3 314.426 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C(C)C)N(C)C ZINC001482564240 941506900 /nfs/dbraw/zinc/50/69/00/941506900.db2.gz BFRFVLRNYOIOMI-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cncc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C)c1 ZINC001482799609 941675075 /nfs/dbraw/zinc/67/50/75/941675075.db2.gz QZHAYCAZLXXPFP-OAHLLOKOSA-N 1 3 308.426 0.297 20 0 DCADHO COc1cncc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001482899362 941701012 /nfs/dbraw/zinc/70/10/12/941701012.db2.gz OQBYWZWDQAXXGM-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001482899362 941701015 /nfs/dbraw/zinc/70/10/15/941701015.db2.gz OQBYWZWDQAXXGM-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001482963978 941728342 /nfs/dbraw/zinc/72/83/42/941728342.db2.gz UVXQTERLUAWMTR-OAHLLOKOSA-N 1 3 322.453 0.664 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001483185335 941926407 /nfs/dbraw/zinc/92/64/07/941926407.db2.gz GRTLDPGLEINESS-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCc1ccnn1C ZINC001409396662 941979778 /nfs/dbraw/zinc/97/97/78/941979778.db2.gz KAIJAXVRGYCNLM-QWHCGFSZSA-N 1 3 307.442 0.745 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001409462497 942007213 /nfs/dbraw/zinc/00/72/13/942007213.db2.gz YVPKCNWRRJDBQG-YMAMQOFZSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc[nH]c4=O)CC3)[C@@H]2C1 ZINC001276328406 942087726 /nfs/dbraw/zinc/08/77/26/942087726.db2.gz QIAZHKVZTZJXJL-ZIAGYGMSSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ccc[nH]c4=O)CC3)[C@@H]2C1 ZINC001276328406 942087731 /nfs/dbraw/zinc/08/77/31/942087731.db2.gz QIAZHKVZTZJXJL-ZIAGYGMSSA-N 1 3 316.405 0.429 20 0 DCADHO O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602292 942089473 /nfs/dbraw/zinc/08/94/73/942089473.db2.gz NEJNNOUTXDNWQJ-CABCVRRESA-N 1 3 307.438 0.576 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483266380 942220413 /nfs/dbraw/zinc/22/04/13/942220413.db2.gz JUDAJIARZINJCI-XHDPSFHLSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483266380 942220415 /nfs/dbraw/zinc/22/04/15/942220415.db2.gz JUDAJIARZINJCI-XHDPSFHLSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001483266380 942220417 /nfs/dbraw/zinc/22/04/17/942220417.db2.gz JUDAJIARZINJCI-XHDPSFHLSA-N 1 3 316.421 0.039 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483283972 942237566 /nfs/dbraw/zinc/23/75/66/942237566.db2.gz VZONLGMHQYILPF-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001077440743 942414727 /nfs/dbraw/zinc/41/47/27/942414727.db2.gz TVXVIMAFPDIPHB-ZACQAIPSSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001077440743 942414730 /nfs/dbraw/zinc/41/47/30/942414730.db2.gz TVXVIMAFPDIPHB-ZACQAIPSSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001083669087 942450019 /nfs/dbraw/zinc/45/00/19/942450019.db2.gz TVXVIMAFPDIPHB-IXDOHACOSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001083669087 942450023 /nfs/dbraw/zinc/45/00/23/942450023.db2.gz TVXVIMAFPDIPHB-IXDOHACOSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001483607397 942460012 /nfs/dbraw/zinc/46/00/12/942460012.db2.gz KZMRLZFTDCOIJZ-CABCVRRESA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC(=O)N(C)C ZINC001409778682 942469969 /nfs/dbraw/zinc/46/99/69/942469969.db2.gz ZLGIPBBVXNCFER-AWEZNQCLSA-N 1 3 323.441 0.503 20 0 DCADHO CS(=O)(=O)N(C1CCN(CC2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001168389374 942540292 /nfs/dbraw/zinc/54/02/92/942540292.db2.gz MVISOHVFYOBPSC-OAHLLOKOSA-N 1 3 315.483 0.874 20 0 DCADHO CCCN(C)CC(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001414644434 942788746 /nfs/dbraw/zinc/78/87/46/942788746.db2.gz PHYASCJEWAIYLP-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001414644434 942788750 /nfs/dbraw/zinc/78/87/50/942788750.db2.gz PHYASCJEWAIYLP-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001272653247 942890521 /nfs/dbraw/zinc/89/05/21/942890521.db2.gz PHKIJWXSMBSTDK-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483930644 943032519 /nfs/dbraw/zinc/03/25/19/943032519.db2.gz DGBIXHDZORYQKQ-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483930644 943032521 /nfs/dbraw/zinc/03/25/21/943032521.db2.gz DGBIXHDZORYQKQ-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCCC2)C1 ZINC001484123818 943156663 /nfs/dbraw/zinc/15/66/63/943156663.db2.gz CPYZHHKAANWJBS-QGZVFWFLSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@]1(C)CCN(C(=O)CN2CCCC2)C1 ZINC001484123816 943157031 /nfs/dbraw/zinc/15/70/31/943157031.db2.gz CPYZHHKAANWJBS-KRWDZBQOSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)CN3CCCC3)C2)n1 ZINC001484124984 943158481 /nfs/dbraw/zinc/15/84/81/943158481.db2.gz LBWRVKWHEBLOCL-KRWDZBQOSA-N 1 3 319.453 0.844 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1 ZINC001484126548 943158565 /nfs/dbraw/zinc/15/85/65/943158565.db2.gz WTPNSWYNJZGUSP-PBHICJAKSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1ncccc1CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001484500592 943432622 /nfs/dbraw/zinc/43/26/22/943432622.db2.gz RQYXKPSHIBUFDA-INIZCTEOSA-N 1 3 320.437 0.252 20 0 DCADHO Cc1ncccc1CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001484500592 943432623 /nfs/dbraw/zinc/43/26/23/943432623.db2.gz RQYXKPSHIBUFDA-INIZCTEOSA-N 1 3 320.437 0.252 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCC2(NCC(N)=O)CCC2)CC1 ZINC001484657342 943495736 /nfs/dbraw/zinc/49/57/36/943495736.db2.gz FATFGPFQLAMYCS-UHFFFAOYSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCO[C@H](CNCc2cccnc2)C1 ZINC001484687721 943518753 /nfs/dbraw/zinc/51/87/53/943518753.db2.gz NDUKHJZCDMMCON-MRXNPFEDSA-N 1 3 320.437 0.740 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)CCn1cccn1 ZINC001485373119 943906593 /nfs/dbraw/zinc/90/65/93/943906593.db2.gz KKZZMEVCFOOZEX-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CCn1cccn1 ZINC001485373119 943906595 /nfs/dbraw/zinc/90/65/95/943906595.db2.gz KKZZMEVCFOOZEX-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNC(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC001491336928 943929945 /nfs/dbraw/zinc/92/99/45/943929945.db2.gz MXKHFXWMGHNKIB-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNC(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC001491336928 943929952 /nfs/dbraw/zinc/92/99/52/943929952.db2.gz MXKHFXWMGHNKIB-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001485961889 944450117 /nfs/dbraw/zinc/45/01/17/944450117.db2.gz UFAYJFDHGAIATG-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)CN(C)C1CCC1 ZINC001486114232 944573971 /nfs/dbraw/zinc/57/39/71/944573971.db2.gz MMUCWPKRPVSKOK-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001316882679 944611727 /nfs/dbraw/zinc/61/17/27/944611727.db2.gz UHNGTGBHAJPSPL-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H]1CCCN(C)C1=O ZINC001316887685 944615104 /nfs/dbraw/zinc/61/51/04/944615104.db2.gz SDTUVCPEAMMUAG-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H]1CCCN(C)C1=O ZINC001316887685 944615108 /nfs/dbraw/zinc/61/51/08/944615108.db2.gz SDTUVCPEAMMUAG-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(N)=O)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001316926570 944653670 /nfs/dbraw/zinc/65/36/70/944653670.db2.gz KJQCDAJORVUAEL-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C(N)=O)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001316926570 944653675 /nfs/dbraw/zinc/65/36/75/944653675.db2.gz KJQCDAJORVUAEL-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@@H](C)C(=O)NC)C(C)(C)C1 ZINC001486246445 944670059 /nfs/dbraw/zinc/67/00/59/944670059.db2.gz KVRDKQNGMDSDCJ-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO Cn1cnc([C@@H]2C[N@H+](CCCN3CCCCC3)C[C@H]2C(N)=O)c1 ZINC001277183011 944697289 /nfs/dbraw/zinc/69/72/89/944697289.db2.gz JKLYPNDWBJMHBP-HUUCEWRRSA-N 1 3 319.453 0.797 20 0 DCADHO Cn1cnc([C@@H]2C[N@@H+](CCCN3CCCCC3)C[C@H]2C(N)=O)c1 ZINC001277183011 944697294 /nfs/dbraw/zinc/69/72/94/944697294.db2.gz JKLYPNDWBJMHBP-HUUCEWRRSA-N 1 3 319.453 0.797 20 0 DCADHO C[C@@H](C(=O)N(C)C[C@@H](O)CNCCF)[NH+]1CCCCCC1 ZINC001486303830 944748545 /nfs/dbraw/zinc/74/85/45/944748545.db2.gz XDBOQFPGSVKZMI-KBPBESRZSA-N 1 3 303.422 0.629 20 0 DCADHO Cn1c(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)cccc1=O ZINC001277316176 944757780 /nfs/dbraw/zinc/75/77/80/944757780.db2.gz OAQWAXVXGCCJIU-UHFFFAOYSA-N 1 3 318.465 0.845 20 0 DCADHO FC(F)(F)Cn1ccc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246428000 945409036 /nfs/dbraw/zinc/40/90/36/945409036.db2.gz OCWWEYZTTREVLG-SNVBAGLBSA-N 1 3 303.332 0.629 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246618403 945443230 /nfs/dbraw/zinc/44/32/30/945443230.db2.gz FETZNPOOVMDWFQ-BBWFWOEESA-N 1 3 317.433 0.797 20 0 DCADHO CC(=O)N1CCO[C@@H]2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@H]21 ZINC001246695500 945462631 /nfs/dbraw/zinc/46/26/31/945462631.db2.gz OYCYLFVHYKAQBA-PFUJJPPESA-N 1 3 307.438 0.981 20 0 DCADHO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCCNC1)C2 ZINC001246740709 945479084 /nfs/dbraw/zinc/47/90/84/945479084.db2.gz QWNREWWNXIWAHO-INMHGKMJSA-N 1 3 309.454 0.849 20 0 DCADHO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+]([C@@H]1CCCNC1)C2 ZINC001246740709 945479088 /nfs/dbraw/zinc/47/90/88/945479088.db2.gz QWNREWWNXIWAHO-INMHGKMJSA-N 1 3 309.454 0.849 20 0 DCADHO c1nc(CNC2CCOCC2)c2n1CCCN([C@H]1CC[NH2+]C1)C2 ZINC001246773498 945485797 /nfs/dbraw/zinc/48/57/97/945485797.db2.gz LBZLRUGQCDCKEO-HNNXBMFYSA-N 1 3 319.453 0.719 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccnn1C)N(C)C ZINC001319124209 945502599 /nfs/dbraw/zinc/50/25/99/945502599.db2.gz HFUJUQCSRNOPSB-CVEARBPZSA-N 1 3 321.469 0.883 20 0 DCADHO O=C(c1ccco1)N1CCCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246851553 945505205 /nfs/dbraw/zinc/50/52/05/945505205.db2.gz KYOFYXIODUMRBS-AWEZNQCLSA-N 1 3 318.421 0.522 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CN1 ZINC001246977898 945534631 /nfs/dbraw/zinc/53/46/31/945534631.db2.gz RMEQLMFOASUXEH-JLJPHGGASA-N 1 3 324.469 0.168 20 0 DCADHO COc1cnc(-c2noc(C34CNCC3C[NH2+]C4)n2)c(OC)c1 ZINC001247852922 945579088 /nfs/dbraw/zinc/57/90/88/945579088.db2.gz YFPCYPXEJSBBHU-UHFFFAOYSA-N 1 3 317.349 0.209 20 0 DCADHO c1cc(-c2noc([C@H]3C[NH2+]CCCO3)n2)nc2c1CNCC2 ZINC001249318683 945629432 /nfs/dbraw/zinc/62/94/32/945629432.db2.gz WHLMDFWBKQXURW-CYBMUJFWSA-N 1 3 301.350 0.828 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001487321619 945660960 /nfs/dbraw/zinc/66/09/60/945660960.db2.gz KHVCTCQQQSAVIO-QKDCVEJESA-N 1 3 324.469 0.101 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001487423895 945734437 /nfs/dbraw/zinc/73/44/37/945734437.db2.gz FHOWTOKTISTKII-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001487423895 945734443 /nfs/dbraw/zinc/73/44/43/945734443.db2.gz FHOWTOKTISTKII-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CCOC[C@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001252046966 945852788 /nfs/dbraw/zinc/85/27/88/945852788.db2.gz HEEWGQLPDHORDU-MRXNPFEDSA-N 1 3 300.443 0.864 20 0 DCADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001253186939 946087487 /nfs/dbraw/zinc/08/74/87/946087487.db2.gz UJLIEZMUCQPXAH-PNBKFKSVSA-N 1 3 323.481 0.926 20 0 DCADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001253186939 946087501 /nfs/dbraw/zinc/08/75/01/946087501.db2.gz UJLIEZMUCQPXAH-PNBKFKSVSA-N 1 3 323.481 0.926 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)C[C@H](O)COC)CC1 ZINC001410255800 946099939 /nfs/dbraw/zinc/09/99/39/946099939.db2.gz XFOIZAKAIGKIBS-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C[C@H](O)COC)CC1 ZINC001410255800 946099950 /nfs/dbraw/zinc/09/99/50/946099950.db2.gz XFOIZAKAIGKIBS-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO O=C(NC/C=C/CN[C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001321134446 946183809 /nfs/dbraw/zinc/18/38/09/946183809.db2.gz DIFLIJIAJTYDPN-VSZDKKFSSA-N 1 3 320.437 0.155 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCn1cncn1 ZINC001321418843 946322786 /nfs/dbraw/zinc/32/27/86/946322786.db2.gz KGVKJVGOCJVOTN-RGDDUWESSA-N 1 3 320.441 0.415 20 0 DCADHO CN1CCN(C)C2(CCN([C@H]3CCC[N@H+](C)CC3)CC2)C1=O ZINC001254520654 946403478 /nfs/dbraw/zinc/40/34/78/946403478.db2.gz YASZJKNZQJLYMK-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CN1CCN(C)C2(CCN([C@H]3CCC[N@@H+](C)CC3)CC2)C1=O ZINC001254520654 946403481 /nfs/dbraw/zinc/40/34/81/946403481.db2.gz YASZJKNZQJLYMK-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001410501164 946490543 /nfs/dbraw/zinc/49/05/43/946490543.db2.gz ISOKUGUMECIEJO-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@H](N(c2ncccn2)[C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001255431543 946506275 /nfs/dbraw/zinc/50/62/75/946506275.db2.gz KQWFINPJGQYPEG-LSDHHAIUSA-N 1 3 317.437 0.898 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001256768776 946660223 /nfs/dbraw/zinc/66/02/23/946660223.db2.gz UECQKCOFLYVUIF-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001273341241 946706896 /nfs/dbraw/zinc/70/68/96/946706896.db2.gz BBXJCURQGMEROO-LSDHHAIUSA-N 1 3 323.441 0.040 20 0 DCADHO COc1cc(C[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)ccn1 ZINC001322709884 946775992 /nfs/dbraw/zinc/77/59/92/946775992.db2.gz FRCWPPZMKXHQSI-UHFFFAOYSA-N 1 3 317.393 0.994 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)NCc1ccc2cc[nH]c2c1 ZINC001410719972 946830410 /nfs/dbraw/zinc/83/04/10/946830410.db2.gz ASYCBNJRLKZEAI-HNNXBMFYSA-N 1 3 318.421 0.686 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]CC1CCCCC1 ZINC001410780866 946928803 /nfs/dbraw/zinc/92/88/03/946928803.db2.gz JMEQQKDZWNSCKU-AWEZNQCLSA-N 1 3 308.426 0.908 20 0 DCADHO C[NH+](C)CCC(=O)NC1(CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001410796656 946956497 /nfs/dbraw/zinc/95/64/97/946956497.db2.gz RDSBMQQTWKIURP-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C ZINC001410865101 947054600 /nfs/dbraw/zinc/05/46/00/947054600.db2.gz ULJWZJCBRDIOAS-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001410952310 947160817 /nfs/dbraw/zinc/16/08/17/947160817.db2.gz IVCPDJQLLCCTCD-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCn2cccn2)C1 ZINC001324225077 947358477 /nfs/dbraw/zinc/35/84/77/947358477.db2.gz HYKTUWVAXYKDPF-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO CCOCCN1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001324616159 947477971 /nfs/dbraw/zinc/47/79/71/947477971.db2.gz SVQOPYLPRXNROI-NVXWUHKLSA-N 1 3 309.454 0.945 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001411241675 947528998 /nfs/dbraw/zinc/52/89/98/947528998.db2.gz WYJUAMFTGVGKOC-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001411288245 947594861 /nfs/dbraw/zinc/59/48/61/947594861.db2.gz ZQKAGPBXXSCXTB-YMAMQOFZSA-N 1 3 324.469 0.432 20 0 DCADHO CCS(=O)(=O)N1CCC(CN[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246363291 947690742 /nfs/dbraw/zinc/69/07/42/947690742.db2.gz CKWQKJCESBCASH-TZMCWYRMSA-N 1 3 303.472 0.778 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC001262597583 947737367 /nfs/dbraw/zinc/73/73/67/947737367.db2.gz SIMSJFSJFRIOTJ-AWEZNQCLSA-N 1 3 311.474 0.311 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC001325345956 947763791 /nfs/dbraw/zinc/76/37/91/947763791.db2.gz JRSWJAVPWNYTQC-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1[C@@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)CC[NH+](C)C ZINC001179481183 947848359 /nfs/dbraw/zinc/84/83/59/947848359.db2.gz GJKWTUHYSBGNJD-AAEUAGOBSA-N 1 3 320.441 0.713 20 0 DCADHO C[C@@H]([NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001179580360 947877692 /nfs/dbraw/zinc/87/76/92/947877692.db2.gz DVCCDIMQFCEPQU-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179656914 947881899 /nfs/dbraw/zinc/88/18/99/947881899.db2.gz SLEJJFNWOCUOSR-YDHLFZDLSA-N 1 3 324.469 0.432 20 0 DCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@H+](C)CC3)C2=O)CC1 ZINC001273516530 947938013 /nfs/dbraw/zinc/93/80/13/947938013.db2.gz CGUCYZCPEDTIHK-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@@H+](C)CC3)C2=O)CC1 ZINC001273516530 947938022 /nfs/dbraw/zinc/93/80/22/947938022.db2.gz CGUCYZCPEDTIHK-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273716217 948045782 /nfs/dbraw/zinc/04/57/82/948045782.db2.gz GKDXUPWYHCMAAU-OAHLLOKOSA-N 1 3 309.458 0.944 20 0 DCADHO C[C@@H](O)CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001273920408 948679621 /nfs/dbraw/zinc/67/96/21/948679621.db2.gz SKLLLXWQOIGZSN-CJNGLKHVSA-N 1 3 324.425 0.056 20 0 DCADHO CCN(CC)CCN(CC[NH+](CC)CC)S(=O)(=O)N(C)C ZINC000586127945 948724638 /nfs/dbraw/zinc/72/46/38/948724638.db2.gz IWAWMVFGQOJBLU-UHFFFAOYSA-N 1 3 322.519 0.778 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001489238249 949658572 /nfs/dbraw/zinc/65/85/72/949658572.db2.gz JCLWSQYIGHCQDE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCOCC(F)F)C1 ZINC001265504768 949732941 /nfs/dbraw/zinc/73/29/41/949732941.db2.gz IQNQCDCHSUQIJX-XYPYZODXSA-N 1 3 316.352 0.779 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCN3C=O)CC2)CC1 ZINC001330236255 950219156 /nfs/dbraw/zinc/21/91/56/950219156.db2.gz GCEXKJDCIKTEBT-INIZCTEOSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702654321 950344233 /nfs/dbraw/zinc/34/42/33/950344233.db2.gz UQKLRWFXTDYHJW-SFHVURJKSA-N 1 3 319.449 0.985 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@H]1CCCNC1=O ZINC001266108695 950375798 /nfs/dbraw/zinc/37/57/98/950375798.db2.gz CKHKYIKVCCINDU-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@H]1CCCNC1=O ZINC001266108695 950375808 /nfs/dbraw/zinc/37/58/08/950375808.db2.gz CKHKYIKVCCINDU-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001490303601 950518384 /nfs/dbraw/zinc/51/83/84/950518384.db2.gz OFIHLXOYFYSBLI-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001331119090 950927911 /nfs/dbraw/zinc/92/79/11/950927911.db2.gz LSKRRXVOYQQYDL-XJFOESAGSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490734354 951060226 /nfs/dbraw/zinc/06/02/26/951060226.db2.gz AACAKMDPGLMQLH-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490734354 951060238 /nfs/dbraw/zinc/06/02/38/951060238.db2.gz AACAKMDPGLMQLH-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001331519958 951154630 /nfs/dbraw/zinc/15/46/30/951154630.db2.gz ZOMVJWPLFMCPMD-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO Cc1noc(CCC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001331563805 951174513 /nfs/dbraw/zinc/17/45/13/951174513.db2.gz IBLVVVAPKRNYFB-LLVKDONJSA-N 1 3 320.397 0.713 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331670191 951234532 /nfs/dbraw/zinc/23/45/32/951234532.db2.gz ULXRBPHVCYNHMO-JOCQHMNTSA-N 1 3 322.409 0.023 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001365835484 951600130 /nfs/dbraw/zinc/60/01/30/951600130.db2.gz SULSKCBJFOYAPT-JOCQHMNTSA-N 1 3 310.442 0.043 20 0 DCADHO CCc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCO ZINC001446934583 1013111760 /nfs/dbraw/zinc/11/17/60/1013111760.db2.gz DRZKNBOIMLYTCP-RDJZCZTQSA-N 1 3 319.449 0.940 20 0 DCADHO CCc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCO ZINC001446934583 1013111766 /nfs/dbraw/zinc/11/17/66/1013111766.db2.gz DRZKNBOIMLYTCP-RDJZCZTQSA-N 1 3 319.449 0.940 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001274991563 951924000 /nfs/dbraw/zinc/92/40/00/951924000.db2.gz KSJMBQOGWOBYFJ-BXUZGUMPSA-N 1 3 310.446 0.329 20 0 DCADHO CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001275046875 951942939 /nfs/dbraw/zinc/94/29/39/951942939.db2.gz GQWWUKBAPGDGQE-ZIAGYGMSSA-N 1 3 303.410 0.025 20 0 DCADHO CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC001275046875 951942944 /nfs/dbraw/zinc/94/29/44/951942944.db2.gz GQWWUKBAPGDGQE-ZIAGYGMSSA-N 1 3 303.410 0.025 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001275289976 952047089 /nfs/dbraw/zinc/04/70/89/952047089.db2.gz RVPTVFVNTQXYCS-XUJLQICISA-N 1 3 321.469 0.787 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)NC(N)=O)C[C@H](C)O1 ZINC001335395253 952531623 /nfs/dbraw/zinc/53/16/23/952531623.db2.gz RYJPAGMEXIUSRL-TXEJJXNPSA-N 1 3 300.403 0.050 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N[C@H]1CN2CCC1CC2 ZINC001336057280 952637928 /nfs/dbraw/zinc/63/79/28/952637928.db2.gz XBIHWZZFCNHECS-HNNXBMFYSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CN2CCC1CC2 ZINC001336057280 952637933 /nfs/dbraw/zinc/63/79/33/952637933.db2.gz XBIHWZZFCNHECS-HNNXBMFYSA-N 1 3 313.442 0.182 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001412258339 952722043 /nfs/dbraw/zinc/72/20/43/952722043.db2.gz GLVJRCHPAGFOAS-JOCQHMNTSA-N 1 3 321.425 0.223 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001412534326 952874544 /nfs/dbraw/zinc/87/45/44/952874544.db2.gz PPAYFABJTVHTDU-BRWVUGGUSA-N 1 3 322.497 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001412534326 952874548 /nfs/dbraw/zinc/87/45/48/952874548.db2.gz PPAYFABJTVHTDU-BRWVUGGUSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC001341570936 953238166 /nfs/dbraw/zinc/23/81/66/953238166.db2.gz KHQRLYATVGXPGE-NYTXWWLZSA-N 1 3 313.442 0.105 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001282056246 953473592 /nfs/dbraw/zinc/47/35/92/953473592.db2.gz ANUCMENJMLKPJE-SEEARECTSA-N 1 3 315.433 0.676 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCCO)CC2)N(C)C ZINC001366021676 953587546 /nfs/dbraw/zinc/58/75/46/953587546.db2.gz UTUDFDXVISQSHD-GJZGRUSLSA-N 1 3 311.470 0.926 20 0 DCADHO CN(C)C(=O)CN[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001366042436 953616858 /nfs/dbraw/zinc/61/68/58/953616858.db2.gz ZXHDILMPRADLRQ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CN[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001366042436 953616864 /nfs/dbraw/zinc/61/68/64/953616864.db2.gz ZXHDILMPRADLRQ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001366073068 953650152 /nfs/dbraw/zinc/65/01/52/953650152.db2.gz ALRAWPNZBUEKPD-OLZOCXBDSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001366073068 953650160 /nfs/dbraw/zinc/65/01/60/953650160.db2.gz ALRAWPNZBUEKPD-OLZOCXBDSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001366073075 953651782 /nfs/dbraw/zinc/65/17/82/953651782.db2.gz ALRAWPNZBUEKPD-QWHCGFSZSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001366073075 953651789 /nfs/dbraw/zinc/65/17/89/953651789.db2.gz ALRAWPNZBUEKPD-QWHCGFSZSA-N 1 3 306.414 0.049 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366084075 953662133 /nfs/dbraw/zinc/66/21/33/953662133.db2.gz VIPVSBWTXBSTTP-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001366130649 953721919 /nfs/dbraw/zinc/72/19/19/953721919.db2.gz JVEKXGGOVBSHKY-IHRRRGAJSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001366159014 953759096 /nfs/dbraw/zinc/75/90/96/953759096.db2.gz JOLQGKGGZGIRNF-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001366243591 953882062 /nfs/dbraw/zinc/88/20/62/953882062.db2.gz OQMIOMXSLITAJJ-IYXRBSQSSA-N 1 3 312.458 0.478 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001346478209 953899451 /nfs/dbraw/zinc/89/94/51/953899451.db2.gz LIMCFWQIGUEWKG-HUUCEWRRSA-N 1 3 308.426 0.147 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001366329900 954037595 /nfs/dbraw/zinc/03/75/95/954037595.db2.gz YDYGIEFRJJULDH-LBPRGKRZSA-N 1 3 307.442 0.665 20 0 DCADHO CCO[C@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001366386150 954135308 /nfs/dbraw/zinc/13/53/08/954135308.db2.gz YUIPCWDJJWRYFW-DZGCQCFKSA-N 1 3 306.410 0.958 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001366392361 954143187 /nfs/dbraw/zinc/14/31/87/954143187.db2.gz OQFNBOSYRYOCLV-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001366407675 954161007 /nfs/dbraw/zinc/16/10/07/954161007.db2.gz JOIPNKWJWXJZPY-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284028880 954792833 /nfs/dbraw/zinc/79/28/33/954792833.db2.gz BZBWYLPAKDGQJX-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001366768909 954809238 /nfs/dbraw/zinc/80/92/38/954809238.db2.gz QDTQOKAKVBBHDN-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)NC1CC1 ZINC001366777360 954830484 /nfs/dbraw/zinc/83/04/84/954830484.db2.gz NRIKWDASJHZMLG-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001366779898 954835050 /nfs/dbraw/zinc/83/50/50/954835050.db2.gz UTPGEQPDHVKCPO-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001366779898 954835061 /nfs/dbraw/zinc/83/50/61/954835061.db2.gz UTPGEQPDHVKCPO-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001350063775 954981113 /nfs/dbraw/zinc/98/11/13/954981113.db2.gz ULXRBPHVCYNHMO-BETUJISGSA-N 1 3 322.409 0.023 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366884138 954990528 /nfs/dbraw/zinc/99/05/28/954990528.db2.gz PHCRMTRJZMQGQT-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366884138 954990538 /nfs/dbraw/zinc/99/05/38/954990538.db2.gz PHCRMTRJZMQGQT-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CCn1cncn1)C(C)(C)C ZINC001284654263 955216211 /nfs/dbraw/zinc/21/62/11/955216211.db2.gz XNJHUZXXGDBXJX-AWEZNQCLSA-N 1 3 324.473 0.739 20 0 DCADHO C[NH+](C)CCCCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001284927355 955322033 /nfs/dbraw/zinc/32/20/33/955322033.db2.gz HLYKWDCQPGBMII-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC(N)=O ZINC001367127324 955361937 /nfs/dbraw/zinc/36/19/37/955361937.db2.gz XQAPDBXXSSAWPR-AWEZNQCLSA-N 1 3 306.410 0.332 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](CC)C(N)=O)CC1 ZINC001367199472 955451769 /nfs/dbraw/zinc/45/17/69/955451769.db2.gz PSWMQUSDZNNPEN-IHRRRGAJSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)CC[N@@H+]1C ZINC001367326312 955649686 /nfs/dbraw/zinc/64/96/86/955649686.db2.gz GGIBDDLETDAXAW-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)CC[N@H+]1C ZINC001367326312 955649697 /nfs/dbraw/zinc/64/96/97/955649697.db2.gz GGIBDDLETDAXAW-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001367326740 955650037 /nfs/dbraw/zinc/65/00/37/955650037.db2.gz OWUINEDKSLMIQL-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001367326740 955650045 /nfs/dbraw/zinc/65/00/45/955650045.db2.gz OWUINEDKSLMIQL-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3C[C@@H]4CCO[C@@H]4C3=O)C[C@@H]2C1 ZINC001352761937 955754575 /nfs/dbraw/zinc/75/45/75/955754575.db2.gz SLEGENGMHQPNIX-GVRJEKJASA-N 1 3 307.438 0.853 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001285558407 955796046 /nfs/dbraw/zinc/79/60/46/955796046.db2.gz QKHLUSKJMPRUQB-NNTXTVRGSA-N 1 3 322.453 0.211 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001285558407 955796058 /nfs/dbraw/zinc/79/60/58/955796058.db2.gz QKHLUSKJMPRUQB-NNTXTVRGSA-N 1 3 322.453 0.211 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530411 956129159 /nfs/dbraw/zinc/12/91/59/956129159.db2.gz GJSGZWUYOJAWGQ-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001286027323 956132290 /nfs/dbraw/zinc/13/22/90/956132290.db2.gz ZYPUMUIXMGHLGC-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCCC[C@@H](N[C@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001480531208 956133206 /nfs/dbraw/zinc/13/32/06/956133206.db2.gz WBSARTOPFAYLNH-TZMCWYRMSA-N 1 3 312.458 0.467 20 0 DCADHO CN1CCC[C@H](NC(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001356585900 956903763 /nfs/dbraw/zinc/90/37/63/956903763.db2.gz OLITWHSYLOBHPH-HNNXBMFYSA-N 1 3 311.474 0.455 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001292779250 957148825 /nfs/dbraw/zinc/14/88/25/957148825.db2.gz SAOAKBUBKRLHDR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001357363416 957255183 /nfs/dbraw/zinc/25/51/83/957255183.db2.gz XJOHVTCNOBOYLE-UHFFFAOYSA-N 1 3 321.421 0.867 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001357363416 957255199 /nfs/dbraw/zinc/25/51/99/957255199.db2.gz XJOHVTCNOBOYLE-UHFFFAOYSA-N 1 3 321.421 0.867 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001367381417 957745064 /nfs/dbraw/zinc/74/50/64/957745064.db2.gz YRUFKLDWSVHLAL-GFCCVEGCSA-N 1 3 310.446 0.816 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001367439220 957808714 /nfs/dbraw/zinc/80/87/14/957808714.db2.gz GSGLWIQYSOZHPY-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001367439220 957808726 /nfs/dbraw/zinc/80/87/26/957808726.db2.gz GSGLWIQYSOZHPY-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001367494071 957897620 /nfs/dbraw/zinc/89/76/20/957897620.db2.gz QOQFOMWLKBVVLJ-UONOGXRCSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367586650 958123535 /nfs/dbraw/zinc/12/35/35/958123535.db2.gz HSJIBENWALRKST-RBSFLKMASA-N 1 3 320.437 0.297 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367586650 958123538 /nfs/dbraw/zinc/12/35/38/958123538.db2.gz HSJIBENWALRKST-RBSFLKMASA-N 1 3 320.437 0.297 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnccc1C)N(C)C ZINC001367615962 958186040 /nfs/dbraw/zinc/18/60/40/958186040.db2.gz IXFGZCUMFGGOEW-GJZGRUSLSA-N 1 3 308.426 0.297 20 0 DCADHO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn2ncnn2)c1 ZINC001367673726 958329821 /nfs/dbraw/zinc/32/98/21/958329821.db2.gz DFQKJPMEPNMHMN-VXGBXAGGSA-N 1 3 318.381 0.537 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)c1cnc2n1CCC2 ZINC001367674097 958330113 /nfs/dbraw/zinc/33/01/13/958330113.db2.gz FVPDYUSDBSFSSS-GHMZBOCLSA-N 1 3 319.409 0.204 20 0 DCADHO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1ccn(C)n1 ZINC001367674475 958331582 /nfs/dbraw/zinc/33/15/82/958331582.db2.gz ZSHKNCFIIULCQR-CHWSQXEVSA-N 1 3 323.441 0.218 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001430150928 1013176476 /nfs/dbraw/zinc/17/64/76/1013176476.db2.gz GWPFZPHVLVOVKL-JOCQHMNTSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001367714998 958430386 /nfs/dbraw/zinc/43/03/86/958430386.db2.gz GZUZCTVOXOUHCB-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001367758916 958513599 /nfs/dbraw/zinc/51/35/99/958513599.db2.gz FGQRAQDYQLZILK-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001298412317 958590298 /nfs/dbraw/zinc/59/02/98/958590298.db2.gz DXIXQDSEMGUDAB-PSKZRQQASA-N 1 3 310.442 0.069 20 0 DCADHO CCN(CC)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298412317 958590310 /nfs/dbraw/zinc/59/03/10/958590310.db2.gz DXIXQDSEMGUDAB-PSKZRQQASA-N 1 3 310.442 0.069 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001298497824 958625211 /nfs/dbraw/zinc/62/52/11/958625211.db2.gz UOIBTLGACWBPQE-WLBISTCBSA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H](C)CNC(=O)CCC[NH+](C)C)C1=O ZINC001376804030 958883736 /nfs/dbraw/zinc/88/37/36/958883736.db2.gz NWQZCPZLEITMPT-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1cccnc1CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001376840949 958961188 /nfs/dbraw/zinc/96/11/88/958961188.db2.gz IWHBTEHKKRLHKV-HNNXBMFYSA-N 1 3 320.437 0.659 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001376845283 958973282 /nfs/dbraw/zinc/97/32/82/958973282.db2.gz GHDCALIVNIFWOR-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001376850736 958979682 /nfs/dbraw/zinc/97/96/82/958979682.db2.gz RADQLWAYKACNKN-CJNGLKHVSA-N 1 3 322.453 0.566 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001491639759 958994394 /nfs/dbraw/zinc/99/43/94/958994394.db2.gz QZWMMXHNSMGCBY-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001491639759 958994409 /nfs/dbraw/zinc/99/44/09/958994409.db2.gz QZWMMXHNSMGCBY-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001491682674 959046180 /nfs/dbraw/zinc/04/61/80/959046180.db2.gz NUGHXHVKVQZAPR-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001376898030 959096804 /nfs/dbraw/zinc/09/68/04/959096804.db2.gz DQHBUZWLFCBQLE-SOUVJXGZSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001376898030 959096816 /nfs/dbraw/zinc/09/68/16/959096816.db2.gz DQHBUZWLFCBQLE-SOUVJXGZSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCn2nc(C)nc2C)CC1)N(C)C ZINC001368021906 959108920 /nfs/dbraw/zinc/10/89/20/959108920.db2.gz ZXPPFTBSWFFZEH-AWEZNQCLSA-N 1 3 322.457 0.474 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@H]2CCNC(=O)CC2)CC1)N(C)C ZINC001368029528 959122844 /nfs/dbraw/zinc/12/28/44/959122844.db2.gz RLMOHLJYBVFHTG-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376917961 959135132 /nfs/dbraw/zinc/13/51/32/959135132.db2.gz HCMJNAAUGPDXGQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001368054688 959158311 /nfs/dbraw/zinc/15/83/11/959158311.db2.gz DLZCILYGQHZFTN-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO Cn1cc(CN2CC[C@@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)cn1 ZINC001368070082 959180059 /nfs/dbraw/zinc/18/00/59/959180059.db2.gz VZCSMDLJGLOTES-QGZVFWFLSA-N 1 3 319.453 0.796 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001377003147 959292596 /nfs/dbraw/zinc/29/25/96/959292596.db2.gz WBIGWZGGBKOTNI-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001377003147 959292611 /nfs/dbraw/zinc/29/26/11/959292611.db2.gz WBIGWZGGBKOTNI-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001491847817 959300401 /nfs/dbraw/zinc/30/04/01/959300401.db2.gz LQOPECDXUHOOCH-GOEBONIOSA-N 1 3 321.469 0.741 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001368148314 959329146 /nfs/dbraw/zinc/32/91/46/959329146.db2.gz BQRZBJKPPBYSDF-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](NCc1nccn1C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368336621 959695471 /nfs/dbraw/zinc/69/54/71/959695471.db2.gz PWABMCFOZBHVLB-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CCC1 ZINC001368342648 959702576 /nfs/dbraw/zinc/70/25/76/959702576.db2.gz UBUXVLVDTBQDHP-QDMKHBRRSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CCC1 ZINC001368342648 959702592 /nfs/dbraw/zinc/70/25/92/959702592.db2.gz UBUXVLVDTBQDHP-QDMKHBRRSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC1CCC1 ZINC001492257819 959765486 /nfs/dbraw/zinc/76/54/86/959765486.db2.gz UICSAWWSTMWCFU-MRXNPFEDSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001377249096 959790482 /nfs/dbraw/zinc/79/04/82/959790482.db2.gz KXXGINSORPTSLH-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001377249096 959790493 /nfs/dbraw/zinc/79/04/93/959790493.db2.gz KXXGINSORPTSLH-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001368424229 959842588 /nfs/dbraw/zinc/84/25/88/959842588.db2.gz RVJIXQHFWOSFER-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NCC(=O)N2CCCC2)CCC1 ZINC001368483775 959927036 /nfs/dbraw/zinc/92/70/36/959927036.db2.gz GAMPKHVXMJVQCJ-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NCC(=O)N2CCCC2)CCC1 ZINC001368483775 959927047 /nfs/dbraw/zinc/92/70/47/959927047.db2.gz GAMPKHVXMJVQCJ-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001368485740 959929449 /nfs/dbraw/zinc/92/94/49/959929449.db2.gz JEOBRNCYZFKTGJ-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001368504937 959950131 /nfs/dbraw/zinc/95/01/31/959950131.db2.gz LQTAOHHREVZXNA-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CS[C@@H]1CN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)C[C@H]1[NH+](C)C ZINC001362773796 959968898 /nfs/dbraw/zinc/96/88/98/959968898.db2.gz HOFSFJNJSNPXIY-AAVRWANBSA-N 1 3 315.483 0.336 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001368527247 959983501 /nfs/dbraw/zinc/98/35/01/959983501.db2.gz TXRAKSJQFBMIPU-MJBXVCDLSA-N 1 3 308.430 0.103 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1 ZINC001368608150 960080297 /nfs/dbraw/zinc/08/02/97/960080297.db2.gz NJSYAYOARQCORR-HDJSIYSDSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)N1CCCC1 ZINC001368640642 960112552 /nfs/dbraw/zinc/11/25/52/960112552.db2.gz DKMQGEDQLVJIBA-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001368657072 960131237 /nfs/dbraw/zinc/13/12/37/960131237.db2.gz XSIYJSJKJHGJCQ-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001368663252 960137280 /nfs/dbraw/zinc/13/72/80/960137280.db2.gz NMVORMXPPHJXQG-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCn1cncn1 ZINC001368793625 960280326 /nfs/dbraw/zinc/28/03/26/960280326.db2.gz UYOZLKNYXKAZIR-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCn1cncn1 ZINC001368793625 960280335 /nfs/dbraw/zinc/28/03/35/960280335.db2.gz UYOZLKNYXKAZIR-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001377616034 960358053 /nfs/dbraw/zinc/35/80/53/960358053.db2.gz XSIGAUDYLWFGGN-ZDUSSCGKSA-N 1 3 308.430 0.238 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001378245719 960422585 /nfs/dbraw/zinc/42/25/85/960422585.db2.gz AFFYSBHRLUNJSX-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001378245719 960422589 /nfs/dbraw/zinc/42/25/89/960422589.db2.gz AFFYSBHRLUNJSX-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC001363156489 960498406 /nfs/dbraw/zinc/49/84/06/960498406.db2.gz JPCPXBTZDRIBJY-ZJIFWQFVSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N[C@H](C)C(N)=O ZINC001378309756 960554440 /nfs/dbraw/zinc/55/44/40/960554440.db2.gz FWXXRKTXTZLKPJ-OCCSQVGLSA-N 1 3 312.458 0.465 20 0 DCADHO CCCNC(=O)CN[C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001378323856 960584374 /nfs/dbraw/zinc/58/43/74/960584374.db2.gz ZCOSDTHVHIYJTQ-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378377257 960670841 /nfs/dbraw/zinc/67/08/41/960670841.db2.gz YQSROAUPDNXODK-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377832479 960765838 /nfs/dbraw/zinc/76/58/38/960765838.db2.gz VXJAWXJPJBNGQE-ZIAGYGMSSA-N 1 3 321.469 0.930 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCc1cnn(C)c1 ZINC001377853340 960819231 /nfs/dbraw/zinc/81/92/31/960819231.db2.gz UKZIQWCOZILHCU-QWHCGFSZSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(=O)NC1CC1 ZINC001378510912 960905453 /nfs/dbraw/zinc/90/54/53/960905453.db2.gz JJWZIPBRLFCPSS-BPLDGKMQSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001378554037 960997509 /nfs/dbraw/zinc/99/75/09/960997509.db2.gz RXQOUNSBPZPUDL-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCC1 ZINC001363474577 961230486 /nfs/dbraw/zinc/23/04/86/961230486.db2.gz IEPDQGVAWKMABG-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001378764384 961432928 /nfs/dbraw/zinc/43/29/28/961432928.db2.gz ZVFFGMCXEURZJH-FPCVCCKLSA-N 1 3 311.470 0.782 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001378764384 961432937 /nfs/dbraw/zinc/43/29/37/961432937.db2.gz ZVFFGMCXEURZJH-FPCVCCKLSA-N 1 3 311.470 0.782 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)c1ccc(C[NH+]2CCCC2)o1 ZINC001363576335 961477860 /nfs/dbraw/zinc/47/78/60/961477860.db2.gz MAOYIPJQWRSOIW-ZDUSSCGKSA-N 1 3 307.394 0.672 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001378788391 961478746 /nfs/dbraw/zinc/47/87/46/961478746.db2.gz KOKJVWWBEVVZGP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001378788391 961478756 /nfs/dbraw/zinc/47/87/56/961478756.db2.gz KOKJVWWBEVVZGP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001378802790 961507069 /nfs/dbraw/zinc/50/70/69/961507069.db2.gz JFKGLRNYVPFXJN-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001378807954 961515343 /nfs/dbraw/zinc/51/53/43/961515343.db2.gz UZUNCYCINLPDSZ-DZGCQCFKSA-N 1 3 320.437 0.416 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001378809020 961517165 /nfs/dbraw/zinc/51/71/65/961517165.db2.gz JKIAFZSTUGKEJA-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001378860630 961619937 /nfs/dbraw/zinc/61/99/37/961619937.db2.gz UAJSGZNAVLAGPB-QWHCGFSZSA-N 1 3 320.437 0.672 20 0 DCADHO CC(C)C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CC[NH+](C)C ZINC001378877943 961646338 /nfs/dbraw/zinc/64/63/38/961646338.db2.gz DLILFQHGIYDVDI-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001430251158 1013288604 /nfs/dbraw/zinc/28/86/04/1013288604.db2.gz FTGMWXVALOMQFK-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001430251158 1013288616 /nfs/dbraw/zinc/28/86/16/1013288616.db2.gz FTGMWXVALOMQFK-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](C[N@H+](C)CCc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001379739140 961908970 /nfs/dbraw/zinc/90/89/70/961908970.db2.gz IENNDMDHNMYIEO-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](C[N@@H+](C)CCc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001379739140 961908977 /nfs/dbraw/zinc/90/89/77/961908977.db2.gz IENNDMDHNMYIEO-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC001430262395 1013297780 /nfs/dbraw/zinc/29/77/80/1013297780.db2.gz QAPLTNFZQIBSBY-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC001430262395 1013297787 /nfs/dbraw/zinc/29/77/87/1013297787.db2.gz QAPLTNFZQIBSBY-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCOC[C@H](O)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001363853700 962024437 /nfs/dbraw/zinc/02/44/37/962024437.db2.gz SIKOOCOMHWBLQU-OAHLLOKOSA-N 1 3 300.443 0.697 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)Cc1c[nH]cn1 ZINC001379151450 962201832 /nfs/dbraw/zinc/20/18/32/962201832.db2.gz OGPZCBFNODXBEG-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)Cc1c[nH]cn1 ZINC001379151450 962201839 /nfs/dbraw/zinc/20/18/39/962201839.db2.gz OGPZCBFNODXBEG-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001379151391 962209194 /nfs/dbraw/zinc/20/91/94/962209194.db2.gz UMUSVAZMSKQEDI-CHWSQXEVSA-N 1 3 312.458 0.384 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001379913361 962278289 /nfs/dbraw/zinc/27/82/89/962278289.db2.gz DGDUFYZNJAXRQU-GXTWGEPZSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001379913361 962278310 /nfs/dbraw/zinc/27/83/10/962278310.db2.gz DGDUFYZNJAXRQU-GXTWGEPZSA-N 1 3 320.441 0.439 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001379239712 962439295 /nfs/dbraw/zinc/43/92/95/962439295.db2.gz JYWIBIXAJNCDBT-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001379308599 962595866 /nfs/dbraw/zinc/59/58/66/962595866.db2.gz UTAGUAYSHYFMBG-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001379308599 962595885 /nfs/dbraw/zinc/59/58/85/962595885.db2.gz UTAGUAYSHYFMBG-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)C1CC(NCc2cnnn2C)C1 ZINC001380166954 962810141 /nfs/dbraw/zinc/81/01/41/962810141.db2.gz GSMNGAPVYFQBJP-UHFFFAOYSA-N 1 3 320.441 0.236 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001380280564 962981317 /nfs/dbraw/zinc/98/13/17/962981317.db2.gz NPPIGTRVBFAEQV-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001380456515 963215679 /nfs/dbraw/zinc/21/56/79/963215679.db2.gz ICYZRUIJIMNXIL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001380456515 963215691 /nfs/dbraw/zinc/21/56/91/963215691.db2.gz ICYZRUIJIMNXIL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001380803057 963590058 /nfs/dbraw/zinc/59/00/58/963590058.db2.gz HTTYSUQFZKQQFE-TUVASFSCSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1cc(CN2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)cn1 ZINC001380803360 963592402 /nfs/dbraw/zinc/59/24/02/963592402.db2.gz KMBBRIKAQLFLPB-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001380840164 963625061 /nfs/dbraw/zinc/62/50/61/963625061.db2.gz KGWUXOOPQVXEQM-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)NCC(N)=O ZINC001368877715 964083259 /nfs/dbraw/zinc/08/32/59/964083259.db2.gz UYNNWAFUBVZTRE-NWDGAFQWSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[C@H](C)NCC(N)=O ZINC001368877715 964083274 /nfs/dbraw/zinc/08/32/74/964083274.db2.gz UYNNWAFUBVZTRE-NWDGAFQWSA-N 1 3 312.458 0.608 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001375178073 964101949 /nfs/dbraw/zinc/10/19/49/964101949.db2.gz RAVRHXBOHVNGMZ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCc1ccnn1C ZINC001368943595 964169289 /nfs/dbraw/zinc/16/92/89/964169289.db2.gz VMTSPMCJYNOJSI-IIAWOOMASA-N 1 3 321.469 0.739 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCc1ccnn1C ZINC001368943595 964169293 /nfs/dbraw/zinc/16/92/93/964169293.db2.gz VMTSPMCJYNOJSI-IIAWOOMASA-N 1 3 321.469 0.739 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001373850160 964715377 /nfs/dbraw/zinc/71/53/77/964715377.db2.gz DHMVFNONLRJOSM-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001373850160 964715379 /nfs/dbraw/zinc/71/53/79/964715379.db2.gz DHMVFNONLRJOSM-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001373850156 964716020 /nfs/dbraw/zinc/71/60/20/964716020.db2.gz DHMVFNONLRJOSM-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001373850156 964716023 /nfs/dbraw/zinc/71/60/23/964716023.db2.gz DHMVFNONLRJOSM-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001369316548 964723088 /nfs/dbraw/zinc/72/30/88/964723088.db2.gz WTWMXEDNEVKFNX-STQMWFEESA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)N(C)C)CCCC1)N(C)C ZINC001373863764 964728044 /nfs/dbraw/zinc/72/80/44/964728044.db2.gz XBLDKRXMJMRYRM-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]CC(N)=O)CCCC[C@@H]1C ZINC001373905794 964771229 /nfs/dbraw/zinc/77/12/29/964771229.db2.gz ULLQONKYRQAFAP-XJKSGUPXSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)NC)CC1)N(C)C ZINC001373924792 964787900 /nfs/dbraw/zinc/78/79/00/964787900.db2.gz ZPIKYSMIHXVRBA-XUXIUFHCSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374017532 964895519 /nfs/dbraw/zinc/89/55/19/964895519.db2.gz IBFPNLSMYFNUIS-RISCZKNCSA-N 1 3 323.466 0.722 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001369410037 964923320 /nfs/dbraw/zinc/92/33/20/964923320.db2.gz WYCKPZHLOSCELV-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001369410037 964923329 /nfs/dbraw/zinc/92/33/29/964923329.db2.gz WYCKPZHLOSCELV-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(CNCc3cnns3)C2)C1 ZINC001375896355 964963846 /nfs/dbraw/zinc/96/38/46/964963846.db2.gz PEASHBALDHZYKX-IUODEOHRSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@](C)(CNCc3cnns3)C2)C1 ZINC001375896355 964963854 /nfs/dbraw/zinc/96/38/54/964963854.db2.gz PEASHBALDHZYKX-IUODEOHRSA-N 1 3 323.466 0.818 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1)N(C)C ZINC001369438926 964975446 /nfs/dbraw/zinc/97/54/46/964975446.db2.gz DFARRRIHYZZOOY-QWHCGFSZSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)COC2CC[NH+](C)CC2)CCCN1CCO ZINC001369439680 964976997 /nfs/dbraw/zinc/97/69/97/964976997.db2.gz YFIXXSQCSCMTRQ-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001374112322 965024070 /nfs/dbraw/zinc/02/40/70/965024070.db2.gz NFKKVFNSGNIKGZ-CQSZACIVSA-N 1 3 322.453 0.567 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001369480231 965050260 /nfs/dbraw/zinc/05/02/60/965050260.db2.gz VZAMUBFPOLJBGO-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001374246110 965179908 /nfs/dbraw/zinc/17/99/08/965179908.db2.gz CLZNIOSKTORXIT-DZGCQCFKSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001369581773 965194604 /nfs/dbraw/zinc/19/46/04/965194604.db2.gz GYGIASMMCGKCMT-ZALBZXLWSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374277635 965215326 /nfs/dbraw/zinc/21/53/26/965215326.db2.gz DXNNMKIHKUHVRT-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374277635 965215334 /nfs/dbraw/zinc/21/53/34/965215334.db2.gz DXNNMKIHKUHVRT-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)N(C)C(=O)CC[NH+](C)C ZINC001374280164 965217999 /nfs/dbraw/zinc/21/79/99/965217999.db2.gz ZCCACSVBVCKKIW-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001369752180 965355188 /nfs/dbraw/zinc/35/51/88/965355188.db2.gz IGNMLPVZRSYZHA-HIFRSBDPSA-N 1 3 317.449 0.970 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](CNC(=O)CN(C)C(C)C)C2CC2)C1=O ZINC001376284201 965478684 /nfs/dbraw/zinc/47/86/84/965478684.db2.gz ZQIMTJCRFXEWIG-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C(C)C)C1)N(C)C ZINC001376338839 965538903 /nfs/dbraw/zinc/53/89/03/965538903.db2.gz SVAIWJOJRUDMMY-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001376354198 965560716 /nfs/dbraw/zinc/56/07/16/965560716.db2.gz WSTLYLSEBQGTJI-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCC(CC)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376395692 965609353 /nfs/dbraw/zinc/60/93/53/965609353.db2.gz KTMYXYXPFYCQRZ-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001374600095 965614748 /nfs/dbraw/zinc/61/47/48/965614748.db2.gz LZJXQFUIDACDMO-CVEARBPZSA-N 1 3 320.437 0.521 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001376401010 965615039 /nfs/dbraw/zinc/61/50/39/965615039.db2.gz MWZBMVLQKPRBJA-SYQHCUMBSA-N 1 3 310.442 0.040 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001376409947 965624436 /nfs/dbraw/zinc/62/44/36/965624436.db2.gz OGAVFSSXDCCRSY-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001376416304 965631504 /nfs/dbraw/zinc/63/15/04/965631504.db2.gz VJHCYGJCOJWJNT-KFWWJZLASA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001376416304 965631511 /nfs/dbraw/zinc/63/15/11/965631511.db2.gz VJHCYGJCOJWJNT-KFWWJZLASA-N 1 3 324.469 0.194 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001376478794 965714582 /nfs/dbraw/zinc/71/45/82/965714582.db2.gz PPHINJKSZKVBRP-MELADBBJSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)CN[C@@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001376580671 965851147 /nfs/dbraw/zinc/85/11/47/965851147.db2.gz XGAKOAIPWCJFQX-ZDUSSCGKSA-N 1 3 320.437 0.651 20 0 DCADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447872733 1013613620 /nfs/dbraw/zinc/61/36/20/1013613620.db2.gz SFZMAGTXHOQHDV-OLZOCXBDSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001376685977 965984624 /nfs/dbraw/zinc/98/46/24/965984624.db2.gz VRLQRYKVWHRNAJ-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447877382 1013617321 /nfs/dbraw/zinc/61/73/21/1013617321.db2.gz LZNRZNBEPLGBEG-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C(C)C)C1=O)N(C)C ZINC001374904433 966120499 /nfs/dbraw/zinc/12/04/99/966120499.db2.gz GHAHDRLONJMLRF-MELADBBJSA-N 1 3 312.458 0.430 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001374932551 966152934 /nfs/dbraw/zinc/15/29/34/966152934.db2.gz ZSSATJFIQXYTGH-SWLSCSKDSA-N 1 3 307.442 0.966 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001374933600 966153627 /nfs/dbraw/zinc/15/36/27/966153627.db2.gz LKQMTNVLFVLHDJ-JSGCOSHPSA-N 1 3 308.426 0.320 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1)N(C)C ZINC001370518932 966206528 /nfs/dbraw/zinc/20/65/28/966206528.db2.gz DWOZEPOKXRZKDV-MXAVVETBSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(CC)C2CC2)C1)N(C)C ZINC001370550010 966234504 /nfs/dbraw/zinc/23/45/04/966234504.db2.gz VEZOGGBKNTZVRD-YDHLFZDLSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001370550712 966236607 /nfs/dbraw/zinc/23/66/07/966236607.db2.gz ZPKJEYNITBPHPD-ZRJCITRHSA-N 1 3 310.442 0.231 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001381424060 966403051 /nfs/dbraw/zinc/40/30/51/966403051.db2.gz UNCASGFVAOKGQR-QWRGUYRKSA-N 1 3 308.430 0.438 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001381446886 966425844 /nfs/dbraw/zinc/42/58/44/966425844.db2.gz GYFMRONWJMCJOG-KBPBESRZSA-N 1 3 322.453 0.708 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CN(C[C@H](O)COC)CC1(C)C ZINC001381880079 966749282 /nfs/dbraw/zinc/74/92/82/966749282.db2.gz VBSITSAWGFGMKY-KBPBESRZSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CN(C[C@H](O)COC)CC1(C)C ZINC001381880079 966749287 /nfs/dbraw/zinc/74/92/87/966749287.db2.gz VBSITSAWGFGMKY-KBPBESRZSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(C)C)CC[N@@H+]1C ZINC001371192386 966799673 /nfs/dbraw/zinc/79/96/73/966799673.db2.gz WUSORVSGLVYPAV-MELADBBJSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(C)C)CC[N@H+]1C ZINC001371192386 966799681 /nfs/dbraw/zinc/79/96/81/966799681.db2.gz WUSORVSGLVYPAV-MELADBBJSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001382067074 966910913 /nfs/dbraw/zinc/91/09/13/966910913.db2.gz MAHZEXTUWMIVQA-SWLSCSKDSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCC(=O)N1CCC1 ZINC001382101136 966940678 /nfs/dbraw/zinc/94/06/78/966940678.db2.gz VTZBGUGCKBRFKT-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1CCCC1=O)N(C)C ZINC001382136610 966970731 /nfs/dbraw/zinc/97/07/31/966970731.db2.gz XCZNZOTUHMQEFZ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO COc1cc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001382155661 966990251 /nfs/dbraw/zinc/99/02/51/966990251.db2.gz BIGDKIUYMUDNHJ-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001382155661 966990255 /nfs/dbraw/zinc/99/02/55/966990255.db2.gz BIGDKIUYMUDNHJ-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001371555528 967113266 /nfs/dbraw/zinc/11/32/66/967113266.db2.gz KIJJZBXSIZQIKL-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001371574555 967135650 /nfs/dbraw/zinc/13/56/50/967135650.db2.gz PGBIVIZEXGMHIB-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccnn2C)[C@@H]1C ZINC001382303507 967187079 /nfs/dbraw/zinc/18/70/79/967187079.db2.gz MMXOLHSQBPPCCJ-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001382437159 967372614 /nfs/dbraw/zinc/37/26/14/967372614.db2.gz ULHHOVZKNGPEBE-HUUCEWRRSA-N 1 3 308.426 0.331 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001382823045 967685769 /nfs/dbraw/zinc/68/57/69/967685769.db2.gz RBPMLJCORZAZAU-MNOVXSKESA-N 1 3 309.414 0.222 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001382823048 967685977 /nfs/dbraw/zinc/68/59/77/967685977.db2.gz RBPMLJCORZAZAU-QWRGUYRKSA-N 1 3 309.414 0.222 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001372511000 968066976 /nfs/dbraw/zinc/06/69/76/968066976.db2.gz CFQNJYVBSSTRLD-RRFJBIMHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001372995966 968607635 /nfs/dbraw/zinc/60/76/35/968607635.db2.gz XDXXHQYNUZRNCT-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001372995966 968607638 /nfs/dbraw/zinc/60/76/38/968607638.db2.gz XDXXHQYNUZRNCT-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001372995958 968608661 /nfs/dbraw/zinc/60/86/61/968608661.db2.gz XDXXHQYNUZRNCT-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001372995958 968608663 /nfs/dbraw/zinc/60/86/63/968608663.db2.gz XDXXHQYNUZRNCT-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001373333563 968948849 /nfs/dbraw/zinc/94/88/49/968948849.db2.gz SQPCCHLRFGTMQS-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001448526072 1013942206 /nfs/dbraw/zinc/94/22/06/1013942206.db2.gz WAELNFKPZXWHKY-KKUMJFAQSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001448577551 1013955581 /nfs/dbraw/zinc/95/55/81/1013955581.db2.gz AKOZBKDVHMKWOI-MJBXVCDLSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001448577551 1013955583 /nfs/dbraw/zinc/95/55/83/1013955583.db2.gz AKOZBKDVHMKWOI-MJBXVCDLSA-N 1 3 310.442 0.029 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001448875918 1014079142 /nfs/dbraw/zinc/07/91/42/1014079142.db2.gz PMJJPGGXPKMALD-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001448875918 1014079139 /nfs/dbraw/zinc/07/91/39/1014079139.db2.gz PMJJPGGXPKMALD-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)CC[NH+](C)C)cc1C ZINC001448884801 1014083424 /nfs/dbraw/zinc/08/34/24/1014083424.db2.gz FVPSFRVDZIUCEK-INIZCTEOSA-N 1 3 307.438 0.822 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCc2ccccc2)C1 ZINC001448942601 1014103202 /nfs/dbraw/zinc/10/32/02/1014103202.db2.gz GMLNEZUIWABICR-CVEARBPZSA-N 1 3 305.422 0.595 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCc2ccccc2)C1 ZINC001448942601 1014103203 /nfs/dbraw/zinc/10/32/03/1014103203.db2.gz GMLNEZUIWABICR-CVEARBPZSA-N 1 3 305.422 0.595 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549074406 1014130320 /nfs/dbraw/zinc/13/03/20/1014130320.db2.gz WFTBWIGJPZBPPH-OSRDXIQISA-N 1 3 305.426 0.546 20 0 DCADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)CN1CCCC1 ZINC001449101194 1014191988 /nfs/dbraw/zinc/19/19/88/1014191988.db2.gz YYYODFWAPOTSOW-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001549295443 1014205080 /nfs/dbraw/zinc/20/50/80/1014205080.db2.gz MLMLGWCNRNNJHQ-GOEBONIOSA-N 1 3 324.469 0.324 20 0 DCADHO CC1CCN(CC(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001528172688 1014222439 /nfs/dbraw/zinc/22/24/39/1014222439.db2.gz NOAPBAGBTYVXHU-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CC1CCN(CC(=O)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001528172688 1014222447 /nfs/dbraw/zinc/22/24/47/1014222447.db2.gz NOAPBAGBTYVXHU-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN2CCC[C@H]2C)CC[N@@H+]1C ZINC001522675475 1014292117 /nfs/dbraw/zinc/29/21/17/1014292117.db2.gz WTIICFLYYOILKT-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN2CCC[C@H]2C)CC[N@H+]1C ZINC001522675475 1014292123 /nfs/dbraw/zinc/29/21/23/1014292123.db2.gz WTIICFLYYOILKT-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cnn3c2CNCC3)CC1 ZINC001549752238 1014444479 /nfs/dbraw/zinc/44/44/79/1014444479.db2.gz LBDDAFIWTSZMAU-WBVHZDCISA-N 1 3 319.453 0.705 20 0 DCADHO O=C(C[C@@H]1CCNC[C@H]1F)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112406 1014576569 /nfs/dbraw/zinc/57/65/69/1014576569.db2.gz BJYUHICHMYVELT-BFHYXJOUSA-N 1 3 313.417 0.599 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001523158478 1014587034 /nfs/dbraw/zinc/58/70/34/1014587034.db2.gz WSFSFLTYRQOQTB-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001523158478 1014587040 /nfs/dbraw/zinc/58/70/40/1014587040.db2.gz WSFSFLTYRQOQTB-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO N[C@@H](CC1CC1)C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001550195418 1014621090 /nfs/dbraw/zinc/62/10/90/1014621090.db2.gz VPYWSPGAVOCCMS-OCCSQVGLSA-N 1 3 303.410 0.363 20 0 DCADHO CC(C)[NH2+]CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204958 1014629015 /nfs/dbraw/zinc/62/90/15/1014629015.db2.gz VEXAFONBMSJULU-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C1 ZINC001550278981 1014647394 /nfs/dbraw/zinc/64/73/94/1014647394.db2.gz GGMQRJCRFUBTQX-AQBKWJQSSA-N 1 3 324.469 0.878 20 0 DCADHO CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(C)C1 ZINC001550284579 1014651835 /nfs/dbraw/zinc/65/18/35/1014651835.db2.gz TWQQWARTUMVFFE-KGLIPLIRSA-N 1 3 310.442 0.491 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550759687 1014849368 /nfs/dbraw/zinc/84/93/68/1014849368.db2.gz HHSZHGCHESCPRO-LSDHHAIUSA-N 1 3 324.469 0.929 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2Cc3ccccc3[C@H]2N)C1 ZINC001551404308 1015038372 /nfs/dbraw/zinc/03/83/72/1015038372.db2.gz WVPHWTPZMHKUCZ-ISTRZQFTSA-N 1 3 302.422 0.398 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN(C)C1CCC1 ZINC001383099945 984674148 /nfs/dbraw/zinc/67/41/48/984674148.db2.gz WBOSEIOONHEOEM-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)N1CCN3C[C@@H](O)C[C@H]3C1)CC2 ZINC001551556734 1015136490 /nfs/dbraw/zinc/13/64/90/1015136490.db2.gz TZNAVXRZZZXKHI-GARWAMKOSA-N 1 3 308.426 0.107 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001525478449 1015149141 /nfs/dbraw/zinc/14/91/41/1015149141.db2.gz QIWPQZPSFSAXRW-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001525478449 1015149147 /nfs/dbraw/zinc/14/91/47/1015149147.db2.gz QIWPQZPSFSAXRW-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001385345999 986277083 /nfs/dbraw/zinc/27/70/83/986277083.db2.gz BXTCTNSIUZLRDM-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001385942030 986699197 /nfs/dbraw/zinc/69/91/97/986699197.db2.gz QUHJNQSLMIERDW-SYQHCUMBSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001385942030 986699200 /nfs/dbraw/zinc/69/92/00/986699200.db2.gz QUHJNQSLMIERDW-SYQHCUMBSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001385942037 986699894 /nfs/dbraw/zinc/69/98/94/986699894.db2.gz QUHJNQSLMIERDW-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001385942037 986699897 /nfs/dbraw/zinc/69/98/97/986699897.db2.gz QUHJNQSLMIERDW-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001386045544 986779106 /nfs/dbraw/zinc/77/91/06/986779106.db2.gz ZFHSHMIATXXTGJ-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001386045544 986779116 /nfs/dbraw/zinc/77/91/16/986779116.db2.gz ZFHSHMIATXXTGJ-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001386703564 987323688 /nfs/dbraw/zinc/32/36/88/987323688.db2.gz NLFZDAQRFWWGKN-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001387746166 988111680 /nfs/dbraw/zinc/11/16/80/988111680.db2.gz LXOPBEGTBKBBQF-UHFFFAOYSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001387746166 988111674 /nfs/dbraw/zinc/11/16/74/988111674.db2.gz LXOPBEGTBKBBQF-UHFFFAOYSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001387782035 988144967 /nfs/dbraw/zinc/14/49/67/988144967.db2.gz VXRATDSXUTTZOP-UONOGXRCSA-N 1 3 312.458 0.240 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001387906094 988268162 /nfs/dbraw/zinc/26/81/62/988268162.db2.gz BEUYVWQLUTXHBA-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001387906094 988268164 /nfs/dbraw/zinc/26/81/64/988268164.db2.gz BEUYVWQLUTXHBA-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001388680463 988505302 /nfs/dbraw/zinc/50/53/02/988505302.db2.gz FMZRCZRUPDYNKS-BETUJISGSA-N 1 3 320.441 0.284 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001388700647 988524469 /nfs/dbraw/zinc/52/44/69/988524469.db2.gz XXNPCOUNUWYWBV-LJISPDSOSA-N 1 3 324.469 0.336 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001388756408 988561419 /nfs/dbraw/zinc/56/14/19/988561419.db2.gz DGTQXMUSQJYTID-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001552421422 1015424062 /nfs/dbraw/zinc/42/40/62/1015424062.db2.gz DNEXHOXSYINFFD-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001389774298 989562947 /nfs/dbraw/zinc/56/29/47/989562947.db2.gz RYRLTVUAJKTCJV-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001389774298 989562951 /nfs/dbraw/zinc/56/29/51/989562951.db2.gz RYRLTVUAJKTCJV-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001389829218 989617860 /nfs/dbraw/zinc/61/78/60/989617860.db2.gz VFYSMGVRFWCEAO-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001389846719 989635205 /nfs/dbraw/zinc/63/52/05/989635205.db2.gz UNFNSLJOBPDLHU-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001389846719 989635207 /nfs/dbraw/zinc/63/52/07/989635207.db2.gz UNFNSLJOBPDLHU-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001389857782 989640841 /nfs/dbraw/zinc/64/08/41/989640841.db2.gz RWUJJJQLFUSYCK-JOCQHMNTSA-N 1 3 310.442 0.232 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CN(C)C(C)C)C1 ZINC001389952023 989704923 /nfs/dbraw/zinc/70/49/23/989704923.db2.gz ONFIIRRQYWYKRB-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN(C)C(C)C)C1 ZINC001389952023 989704932 /nfs/dbraw/zinc/70/49/32/989704932.db2.gz ONFIIRRQYWYKRB-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001527563863 1015501992 /nfs/dbraw/zinc/50/19/92/1015501992.db2.gz XSCRCMZTTWDVKI-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001527563863 1015502003 /nfs/dbraw/zinc/50/20/03/1015502003.db2.gz XSCRCMZTTWDVKI-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001390031888 989761526 /nfs/dbraw/zinc/76/15/26/989761526.db2.gz MSOYPZGUUVNLJE-BETUJISGSA-N 1 3 308.430 0.375 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001390087864 989810453 /nfs/dbraw/zinc/81/04/53/989810453.db2.gz YGYONFNKSZSIBN-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001390091707 989811962 /nfs/dbraw/zinc/81/19/62/989811962.db2.gz VCOQBACIZJDKAJ-HIFRSBDPSA-N 1 3 312.458 0.147 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC001552753524 1015515203 /nfs/dbraw/zinc/51/52/03/1015515203.db2.gz VWEMGRDNSFXCSN-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001390262937 989944720 /nfs/dbraw/zinc/94/47/20/989944720.db2.gz HPHPEAMUFWWVDW-RUXDESIVSA-N 1 3 324.425 0.285 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NCC1CC1 ZINC001390359597 990024376 /nfs/dbraw/zinc/02/43/76/990024376.db2.gz JJZCLJGSARXPPO-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NCC1CC1 ZINC001390359597 990024386 /nfs/dbraw/zinc/02/43/86/990024386.db2.gz JJZCLJGSARXPPO-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001390594438 990229856 /nfs/dbraw/zinc/22/98/56/990229856.db2.gz PSKSXCUCBJSUJS-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1ccnc1CN[C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001390613049 990245498 /nfs/dbraw/zinc/24/54/98/990245498.db2.gz MSDXOUGYYWSDBY-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001390706750 990317359 /nfs/dbraw/zinc/31/73/59/990317359.db2.gz OWQDAAKOUZUPPJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CO[C@H](C)CN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001391513517 990907599 /nfs/dbraw/zinc/90/75/99/990907599.db2.gz NWQWNFNNTDWAAE-CYBMUJFWSA-N 1 3 313.442 0.180 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001391584350 990980292 /nfs/dbraw/zinc/98/02/92/990980292.db2.gz UBQFUDLUJXKPQC-HZPDHXFCSA-N 1 3 305.422 0.862 20 0 DCADHO CCNC(=O)CN[C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001391698560 991109428 /nfs/dbraw/zinc/10/94/28/991109428.db2.gz PZIPEQVNORQHSU-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001392072083 991464246 /nfs/dbraw/zinc/46/42/46/991464246.db2.gz KULTXXCHJFIESI-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392077351 991470974 /nfs/dbraw/zinc/47/09/74/991470974.db2.gz MTWNBISIDNSXOY-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001392168913 991568714 /nfs/dbraw/zinc/56/87/14/991568714.db2.gz OUHCJPUVOJFTSK-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN(C)C(=O)CCC[NH+](C)C)Cc1ccn(C)c(=O)c1 ZINC001392300720 991720026 /nfs/dbraw/zinc/72/00/26/991720026.db2.gz OLHZOZNJTATDHR-UHFFFAOYSA-N 1 3 322.453 0.617 20 0 DCADHO Cc1cncc(C[NH2+]C[C@H](O)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001392402517 991879058 /nfs/dbraw/zinc/87/90/58/991879058.db2.gz PNTYXMSURSFCNK-BBRMVZONSA-N 1 3 320.437 0.299 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)CC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001392595821 992139368 /nfs/dbraw/zinc/13/93/68/992139368.db2.gz YALPQPONMSEVIC-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392660762 992226211 /nfs/dbraw/zinc/22/62/11/992226211.db2.gz VDEGJFUKKVTBAW-GOEBONIOSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001393042048 992645052 /nfs/dbraw/zinc/64/50/52/992645052.db2.gz XGQDKVOGQFPBRU-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001393169323 992726154 /nfs/dbraw/zinc/72/61/54/992726154.db2.gz YGYABIFYXLNSDN-YCPHGPKFSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001393326271 992883026 /nfs/dbraw/zinc/88/30/26/992883026.db2.gz IOQZLCORTCXACB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001393326271 992883033 /nfs/dbraw/zinc/88/30/33/992883033.db2.gz IOQZLCORTCXACB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001393476444 993021936 /nfs/dbraw/zinc/02/19/36/993021936.db2.gz XHWZQXHOHYUCCM-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001393497348 993033594 /nfs/dbraw/zinc/03/35/94/993033594.db2.gz HTTYSUQFZKQQFE-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001393525735 993055062 /nfs/dbraw/zinc/05/50/62/993055062.db2.gz RLWXWKRBOQKTBH-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCn2cncn2)CCC1)C1CCC1 ZINC001393542310 993068818 /nfs/dbraw/zinc/06/88/18/993068818.db2.gz DBJWSBGMMXBGLT-UHFFFAOYSA-N 1 3 320.441 0.391 20 0 DCADHO C[NH+]1CCC(OCC(=O)NCC2(NCCF)CCC2)CC1 ZINC001393572235 993094560 /nfs/dbraw/zinc/09/45/60/993094560.db2.gz PVVSCCVYHBAJJU-UHFFFAOYSA-N 1 3 301.406 0.695 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001393654314 993158925 /nfs/dbraw/zinc/15/89/25/993158925.db2.gz DOOPVMNTESBVPT-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001393654314 993158931 /nfs/dbraw/zinc/15/89/31/993158931.db2.gz DOOPVMNTESBVPT-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CC3CC3)C2)C1 ZINC001393696304 993182672 /nfs/dbraw/zinc/18/26/72/993182672.db2.gz MHSHTLOWZMGMMR-PBHICJAKSA-N 1 3 309.454 0.681 20 0 DCADHO Cc1nnc(CNC2(C)CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001393737907 993214503 /nfs/dbraw/zinc/21/45/03/993214503.db2.gz TUTVZQSIMLWWSM-UHFFFAOYSA-N 1 3 308.430 0.536 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001393805570 993267954 /nfs/dbraw/zinc/26/79/54/993267954.db2.gz YAGPJZJORYEXDL-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NCC1CCC1 ZINC001394467226 993735417 /nfs/dbraw/zinc/73/54/17/993735417.db2.gz ODVIRVRUENMKLD-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001394491372 993764463 /nfs/dbraw/zinc/76/44/63/993764463.db2.gz UDIZHIOWZDPEOO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001394495090 993766218 /nfs/dbraw/zinc/76/62/18/993766218.db2.gz IPRFFGSYDFZIID-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCc1cnn(C)c1 ZINC001394541821 993813558 /nfs/dbraw/zinc/81/35/58/993813558.db2.gz SVIFSFQBITWPCU-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001394561049 993830050 /nfs/dbraw/zinc/83/00/50/993830050.db2.gz UBXMVJFNGHVEGD-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001394664693 993992581 /nfs/dbraw/zinc/99/25/81/993992581.db2.gz BXWQHIWOZBESJD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001394716812 994049065 /nfs/dbraw/zinc/04/90/65/994049065.db2.gz PZPSDJTYBYPXDX-QWHCGFSZSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001394855590 994219365 /nfs/dbraw/zinc/21/93/65/994219365.db2.gz YLGNWGSSBIQRMK-ORHYLEIMSA-N 1 3 308.430 0.234 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001394858730 994222066 /nfs/dbraw/zinc/22/20/66/994222066.db2.gz DFTJIBBQDRCCRH-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001395291606 994569054 /nfs/dbraw/zinc/56/90/54/994569054.db2.gz UUUIKJQAHNQYMV-ZDUSSCGKSA-N 1 3 312.458 0.241 20 0 DCADHO CCn1cc(CCN2CC[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001400620249 994714564 /nfs/dbraw/zinc/71/45/64/994714564.db2.gz HNEWAYGEXGTFAS-HNNXBMFYSA-N 1 3 307.442 0.588 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C2CC2)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001507022844 1015899056 /nfs/dbraw/zinc/89/90/56/1015899056.db2.gz NWHVQQVPEAXMEJ-SMDDNHRTSA-N 1 3 322.457 0.952 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1cnnn1C ZINC001400825284 994980544 /nfs/dbraw/zinc/98/05/44/994980544.db2.gz RCAOXHAAPHXIIN-JSGCOSHPSA-N 1 3 310.446 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001507037283 1015911270 /nfs/dbraw/zinc/91/12/70/1015911270.db2.gz SIJDBFFZJKCINQ-LSDHHAIUSA-N 1 3 324.469 0.384 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCC1 ZINC001400990329 995104917 /nfs/dbraw/zinc/10/49/17/995104917.db2.gz NGGYDMSRZNTJEJ-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CNC(=O)CNC[C@](C)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001401018705 995117941 /nfs/dbraw/zinc/11/79/41/995117941.db2.gz HLSONXVZKCIWIG-KRWDZBQOSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1 ZINC001401092681 995167992 /nfs/dbraw/zinc/16/79/92/995167992.db2.gz JNBJLXXICDVAJQ-CQSZACIVSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001396834473 995636823 /nfs/dbraw/zinc/63/68/23/995636823.db2.gz JJJZUOQUURQFFO-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)N(C)C)CC[N@@H+]1C ZINC001507079680 1015963428 /nfs/dbraw/zinc/96/34/28/1015963428.db2.gz MVWQTGNYUYOISP-MELADBBJSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)N(C)C)CC[N@H+]1C ZINC001507079680 1015963439 /nfs/dbraw/zinc/96/34/39/1015963439.db2.gz MVWQTGNYUYOISP-MELADBBJSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001397079193 995785215 /nfs/dbraw/zinc/78/52/15/995785215.db2.gz KYRQXUNUIGDZGZ-GUTXKFCHSA-N 1 3 322.457 0.623 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C1CC[NH+](C)CC1 ZINC001510834061 1015996367 /nfs/dbraw/zinc/99/63/67/1015996367.db2.gz BPLJBHPAGUVJMO-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO Cn1cc(CN2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)cn1 ZINC001397768252 996164015 /nfs/dbraw/zinc/16/40/15/996164015.db2.gz MUXCBGXSOVUHKW-CVEARBPZSA-N 1 3 319.453 0.652 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001507131212 1016011186 /nfs/dbraw/zinc/01/11/86/1016011186.db2.gz XJPIYENXOHXBPO-STQMWFEESA-N 1 3 321.425 0.305 20 0 DCADHO C[C@H](CN(C)C(=O)CCCC[NH+](C)C)N[C@@H]1CCCNC1=O ZINC001507152024 1016035878 /nfs/dbraw/zinc/03/58/78/1016035878.db2.gz LEIPMOZJBUIVIC-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1nncc1CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001398442647 996518822 /nfs/dbraw/zinc/51/88/22/996518822.db2.gz CDPJURLPMWVOEZ-DOMZBBRYSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398442647 996518827 /nfs/dbraw/zinc/51/88/27/996518827.db2.gz CDPJURLPMWVOEZ-DOMZBBRYSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)CCc1cnn(C)c1 ZINC001492873308 996548888 /nfs/dbraw/zinc/54/88/88/996548888.db2.gz BZBGLDOUGHSLNV-GASCZTMLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)CCc1cnn(C)c1 ZINC001492873308 996548892 /nfs/dbraw/zinc/54/88/92/996548892.db2.gz BZBGLDOUGHSLNV-GASCZTMLSA-N 1 3 321.469 0.883 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001398598045 996595735 /nfs/dbraw/zinc/59/57/35/996595735.db2.gz PGVRMTDSJRWNLI-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001398689858 996641169 /nfs/dbraw/zinc/64/11/69/996641169.db2.gz KZHVKUDWCZQODK-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001398689858 996641171 /nfs/dbraw/zinc/64/11/71/996641171.db2.gz KZHVKUDWCZQODK-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC001404270107 996885916 /nfs/dbraw/zinc/88/59/16/996885916.db2.gz MEXYHUMPDXNLJF-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C[C@H]2CCOC2)C2CC2)C1 ZINC001404270107 996885930 /nfs/dbraw/zinc/88/59/30/996885930.db2.gz MEXYHUMPDXNLJF-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CCCC[C@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001404309155 996950591 /nfs/dbraw/zinc/95/05/91/996950591.db2.gz CXWACTNYNZKUSR-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cnn(C)c1 ZINC001399094852 996952344 /nfs/dbraw/zinc/95/23/44/996952344.db2.gz LHIWEFWCGQVLEG-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001404312581 996959424 /nfs/dbraw/zinc/95/94/24/996959424.db2.gz FHUURGNHCJBXCK-ABAIWWIYSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001404312581 996959432 /nfs/dbraw/zinc/95/94/32/996959432.db2.gz FHUURGNHCJBXCK-ABAIWWIYSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001404319820 996975886 /nfs/dbraw/zinc/97/58/86/996975886.db2.gz AEMNFBRNJJLFAF-QWHCGFSZSA-N 1 3 324.469 0.561 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001399154487 997031278 /nfs/dbraw/zinc/03/12/78/997031278.db2.gz FLTJQTOFTWWCSR-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001399269982 997142377 /nfs/dbraw/zinc/14/23/77/997142377.db2.gz DDRWJOGRPCTNON-GJZGRUSLSA-N 1 3 324.469 0.622 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001404489694 997165713 /nfs/dbraw/zinc/16/57/13/997165713.db2.gz LQBLEVOOSYUBQZ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001404489694 997165718 /nfs/dbraw/zinc/16/57/18/997165718.db2.gz LQBLEVOOSYUBQZ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1)N(C)C ZINC001404530202 997209574 /nfs/dbraw/zinc/20/95/74/997209574.db2.gz LPDJDIJDMWGTCT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1)N(C)C ZINC001404530202 997209587 /nfs/dbraw/zinc/20/95/87/997209587.db2.gz LPDJDIJDMWGTCT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001404876535 997553185 /nfs/dbraw/zinc/55/31/85/997553185.db2.gz DPGWWBAAUHRINO-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO COC[C@@H](C)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001405032330 997707171 /nfs/dbraw/zinc/70/71/71/997707171.db2.gz XGVJGWDFQBAYRJ-KGLIPLIRSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)N(C)C ZINC001405290614 998068884 /nfs/dbraw/zinc/06/88/84/998068884.db2.gz LWTLGJOZMRZZLM-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cnc(C)nc1 ZINC001405349798 998139480 /nfs/dbraw/zinc/13/94/80/998139480.db2.gz RRZJPMMJEYHPQE-LSDHHAIUSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cnc(C)nc1 ZINC001405349798 998139487 /nfs/dbraw/zinc/13/94/87/998139487.db2.gz RRZJPMMJEYHPQE-LSDHHAIUSA-N 1 3 305.426 0.721 20 0 DCADHO CCc1ccccc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507258785 1016189205 /nfs/dbraw/zinc/18/92/05/1016189205.db2.gz BLERWOPGBCWHFY-SJORKVTESA-N 1 3 319.449 0.767 20 0 DCADHO CCc1ccccc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507258785 1016189212 /nfs/dbraw/zinc/18/92/12/1016189212.db2.gz BLERWOPGBCWHFY-SJORKVTESA-N 1 3 319.449 0.767 20 0 DCADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+][C@H](C)C(N)=O ZINC001405734530 998514673 /nfs/dbraw/zinc/51/46/73/998514673.db2.gz IKNHDELNGZXSQK-QWHCGFSZSA-N 1 3 320.437 0.578 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)CN(C)C1CCC1 ZINC001511263712 1016238729 /nfs/dbraw/zinc/23/87/29/1016238729.db2.gz LQNLDURAMAWFJD-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001505537964 1016291670 /nfs/dbraw/zinc/29/16/70/1016291670.db2.gz QYSWIOAPEIXZBL-UHFFFAOYSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001507428918 1016321905 /nfs/dbraw/zinc/32/19/05/1016321905.db2.gz XBJJCOODVZDEBR-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccnn1C ZINC001401115762 1000205161 /nfs/dbraw/zinc/20/51/61/1000205161.db2.gz QVTDOFPLKQUHOO-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001401247177 1000306165 /nfs/dbraw/zinc/30/61/65/1000306165.db2.gz YRTDVFXCZBFGQA-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1NCc1cn(C)nn1 ZINC001401300439 1000338670 /nfs/dbraw/zinc/33/86/70/1000338670.db2.gz QXRHANYZHPIFTN-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC(=O)NC ZINC001401313451 1000344241 /nfs/dbraw/zinc/34/42/41/1000344241.db2.gz RXZNRKWMUNCKET-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001401600014 1000534877 /nfs/dbraw/zinc/53/48/77/1000534877.db2.gz JQUGMOAHRSQFCH-CHWSQXEVSA-N 1 3 320.437 0.720 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001401601904 1000535853 /nfs/dbraw/zinc/53/58/53/1000535853.db2.gz LAITZEJZMNJKBD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001401623504 1000561711 /nfs/dbraw/zinc/56/17/11/1000561711.db2.gz AIVHUYIKGCBUFA-NEPJUHHUSA-N 1 3 310.442 0.232 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001418913421 1000611413 /nfs/dbraw/zinc/61/14/13/1000611413.db2.gz KSQLCGSGBIXMEC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001418913421 1000611415 /nfs/dbraw/zinc/61/14/15/1000611415.db2.gz KSQLCGSGBIXMEC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401691547 1000630515 /nfs/dbraw/zinc/63/05/15/1000630515.db2.gz KRFNWMYWZYBTMB-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@H](C)N(C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001418948108 1000637559 /nfs/dbraw/zinc/63/75/59/1000637559.db2.gz RDCXMXNNQDJIIO-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@H](C)N(C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001418948108 1000637564 /nfs/dbraw/zinc/63/75/64/1000637564.db2.gz RDCXMXNNQDJIIO-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001401864522 1000798289 /nfs/dbraw/zinc/79/82/89/1000798289.db2.gz GSZDNTNKEAWXKY-HIFRSBDPSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N(C)C ZINC001419191809 1000866051 /nfs/dbraw/zinc/86/60/51/1000866051.db2.gz DCNDZDQGPZJEAV-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N(C)C ZINC001419191809 1000866059 /nfs/dbraw/zinc/86/60/59/1000866059.db2.gz DCNDZDQGPZJEAV-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+]1CCC(OCC(=O)NC[C@H](NCCF)C2CC2)CC1 ZINC001419301264 1000960454 /nfs/dbraw/zinc/96/04/54/1000960454.db2.gz SATDYALFLBPTOG-AWEZNQCLSA-N 1 3 301.406 0.551 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001419342327 1000987882 /nfs/dbraw/zinc/98/78/82/1000987882.db2.gz QUZHJASMHIDPNG-CJNGLKHVSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001419342327 1000987888 /nfs/dbraw/zinc/98/78/88/1000987888.db2.gz QUZHJASMHIDPNG-CJNGLKHVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]([NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001419346614 1000991117 /nfs/dbraw/zinc/99/11/17/1000991117.db2.gz WFLOZJKOVMZUJI-ZBEGNZNMSA-N 1 3 310.442 0.219 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001402080162 1001000065 /nfs/dbraw/zinc/00/00/65/1001000065.db2.gz SSYOBPYMVSZUMX-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]C[C@@H](C)O)C1CCCC1 ZINC001402120888 1001032298 /nfs/dbraw/zinc/03/22/98/1001032298.db2.gz KFTGRKBUBOLWFW-ABAIWWIYSA-N 1 3 308.426 0.906 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001419423561 1001039809 /nfs/dbraw/zinc/03/98/09/1001039809.db2.gz PFPCZLUKXPFMMO-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001402187010 1001096974 /nfs/dbraw/zinc/09/69/74/1001096974.db2.gz FJWKUFJYTFKRJN-XJKSGUPXSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001419513233 1001107022 /nfs/dbraw/zinc/10/70/22/1001107022.db2.gz BKJZGDJRNZZELE-GASCZTMLSA-N 1 3 322.457 0.472 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001419605980 1001169356 /nfs/dbraw/zinc/16/93/56/1001169356.db2.gz JBPIAYZQWUXNBY-UONOGXRCSA-N 1 3 324.469 0.752 20 0 DCADHO CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001402307196 1001200620 /nfs/dbraw/zinc/20/06/20/1001200620.db2.gz ZQPWMUDQNYVFIU-CVEARBPZSA-N 1 3 315.433 0.772 20 0 DCADHO CC[N@H+]1CC[C@@](O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001402307196 1001200625 /nfs/dbraw/zinc/20/06/25/1001200625.db2.gz ZQPWMUDQNYVFIU-CVEARBPZSA-N 1 3 315.433 0.772 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1)C1CCC1 ZINC001402317916 1001211736 /nfs/dbraw/zinc/21/17/36/1001211736.db2.gz RLUUMZXSHFGCKC-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(C)C(=O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001402364634 1001253759 /nfs/dbraw/zinc/25/37/59/1001253759.db2.gz OYAQXIIUJHQZGK-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO COC[C@H](O)C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001419748050 1001276343 /nfs/dbraw/zinc/27/63/43/1001276343.db2.gz MQBBENMXLNVXDR-ZIAGYGMSSA-N 1 3 315.458 0.353 20 0 DCADHO CC(C)N1CC[C@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001402445817 1001315363 /nfs/dbraw/zinc/31/53/63/1001315363.db2.gz VTHHLYXSIKURPN-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402451115 1001321459 /nfs/dbraw/zinc/32/14/59/1001321459.db2.gz AVVISNQXJYWDAB-DZGCQCFKSA-N 1 3 324.425 0.176 20 0 DCADHO C[C@@H](F)CCN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402474861 1001344025 /nfs/dbraw/zinc/34/40/25/1001344025.db2.gz XHVKRCLUXSVPLF-UKRRQHHQSA-N 1 3 303.422 0.629 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1 ZINC001402507735 1001367487 /nfs/dbraw/zinc/36/74/87/1001367487.db2.gz PYOAHKHUDPUCFB-KKUMJFAQSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001419879238 1001377616 /nfs/dbraw/zinc/37/76/16/1001377616.db2.gz OLBZNRSCKKYMFM-QWHCGFSZSA-N 1 3 320.437 0.591 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001402532518 1001389070 /nfs/dbraw/zinc/38/90/70/1001389070.db2.gz QTJCCIKYTZOJAC-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)N(C)C2CC2)CCC1 ZINC001402578170 1001418570 /nfs/dbraw/zinc/41/85/70/1001418570.db2.gz LTTQRPNNBQQEPJ-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001402606845 1001438083 /nfs/dbraw/zinc/43/80/83/1001438083.db2.gz YTCFFILBKLENOM-MCIONIFRSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)COC)CC1)N(C)C ZINC001402807941 1001510977 /nfs/dbraw/zinc/51/09/77/1001510977.db2.gz PPXUIHUJUITFBV-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001402842767 1001528784 /nfs/dbraw/zinc/52/87/84/1001528784.db2.gz XMROGXNJVLKXMS-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001402882034 1001554191 /nfs/dbraw/zinc/55/41/91/1001554191.db2.gz MOODTTAVFWQTGE-WBMJQRKESA-N 1 3 319.453 0.665 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001402881377 1001554534 /nfs/dbraw/zinc/55/45/34/1001554534.db2.gz LDCYZRJNDMJLGM-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NC/C=C\Cl ZINC001402885238 1001556647 /nfs/dbraw/zinc/55/66/47/1001556647.db2.gz QPPNCXTUHSWMSY-RNZFLTOJSA-N 1 3 313.833 0.905 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403018673 1001634734 /nfs/dbraw/zinc/63/47/34/1001634734.db2.gz UEBXNYJDSCKPSC-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C2CCC2)C1=O ZINC001403047952 1001648891 /nfs/dbraw/zinc/64/88/91/1001648891.db2.gz NSCGXLYXISMBCD-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001403077257 1001662952 /nfs/dbraw/zinc/66/29/52/1001662952.db2.gz HFALZIGQYKACCA-ZDUSSCGKSA-N 1 3 312.458 0.148 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001403079823 1001664966 /nfs/dbraw/zinc/66/49/66/1001664966.db2.gz HRUYNSLFKMSOPA-OLZOCXBDSA-N 1 3 312.458 0.336 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001403191431 1001717853 /nfs/dbraw/zinc/71/78/53/1001717853.db2.gz CBHPWQOXYUENFX-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001403191431 1001717857 /nfs/dbraw/zinc/71/78/57/1001717857.db2.gz CBHPWQOXYUENFX-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nnc([C@H](C)NC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001403256743 1001766277 /nfs/dbraw/zinc/76/62/77/1001766277.db2.gz SVUXUAMCLLJOTP-GXTWGEPZSA-N 1 3 322.457 0.954 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC001403470928 1002003387 /nfs/dbraw/zinc/00/33/87/1002003387.db2.gz WJZUKDYVSHKERJ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001420197696 1002023057 /nfs/dbraw/zinc/02/30/57/1002023057.db2.gz QBKPLAGVTTZVHA-HNNXBMFYSA-N 1 3 318.421 0.053 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001420197462 1002023610 /nfs/dbraw/zinc/02/36/10/1002023610.db2.gz CAHSTCLGKZPUJD-HZPDHXFCSA-N 1 3 322.453 0.543 20 0 DCADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001403490354 1002024404 /nfs/dbraw/zinc/02/44/04/1002024404.db2.gz RQOWDEQOZGPTPT-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)c1nc(CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)n[nH]1 ZINC001424808232 1002049548 /nfs/dbraw/zinc/04/95/48/1002049548.db2.gz QURRVYALIPWXFR-VXGBXAGGSA-N 1 3 310.446 0.863 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)C1(N(C)C)CCC1 ZINC001420231436 1002084315 /nfs/dbraw/zinc/08/43/15/1002084315.db2.gz FULMXUOFBZDJRJ-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420240048 1002100910 /nfs/dbraw/zinc/10/09/10/1002100910.db2.gz DVZFRWHUYAXYSN-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420240048 1002100914 /nfs/dbraw/zinc/10/09/14/1002100914.db2.gz DVZFRWHUYAXYSN-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001424860364 1002102086 /nfs/dbraw/zinc/10/20/86/1002102086.db2.gz RYBDQIQHCPXATO-STQMWFEESA-N 1 3 312.458 0.430 20 0 DCADHO CCn1cc(CC[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)cn1 ZINC001420241485 1002103241 /nfs/dbraw/zinc/10/32/41/1002103241.db2.gz APVGDESVWHHHPG-UHFFFAOYSA-N 1 3 321.469 0.978 20 0 DCADHO CCn1cc(CC[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)cn1 ZINC001420241485 1002103247 /nfs/dbraw/zinc/10/32/47/1002103247.db2.gz APVGDESVWHHHPG-UHFFFAOYSA-N 1 3 321.469 0.978 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC001424867285 1002106476 /nfs/dbraw/zinc/10/64/76/1002106476.db2.gz LDOCAAXIOUHNQP-IYXRBSQSSA-N 1 3 312.458 0.560 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403621445 1002224799 /nfs/dbraw/zinc/22/47/99/1002224799.db2.gz CQNQSMVKSRYIQB-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403621445 1002224803 /nfs/dbraw/zinc/22/48/03/1002224803.db2.gz CQNQSMVKSRYIQB-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001505850544 1016613158 /nfs/dbraw/zinc/61/31/58/1016613158.db2.gz ZWVXMLYDGLWZER-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cncn1C ZINC001420420814 1002392834 /nfs/dbraw/zinc/39/28/34/1002392834.db2.gz DWQQHIOSCJBFIW-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cncn1C ZINC001420420814 1002392844 /nfs/dbraw/zinc/39/28/44/1002392844.db2.gz DWQQHIOSCJBFIW-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001420436433 1002415171 /nfs/dbraw/zinc/41/51/71/1002415171.db2.gz XJRNHJHQBCVALM-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001403752832 1002470889 /nfs/dbraw/zinc/47/08/89/1002470889.db2.gz MMEWDXSPSJWVHY-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001403765384 1002490805 /nfs/dbraw/zinc/49/08/05/1002490805.db2.gz BUMCRXNAAYSZAZ-KBPBESRZSA-N 1 3 324.469 0.574 20 0 DCADHO Cn1nccc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001403809035 1002554979 /nfs/dbraw/zinc/55/49/79/1002554979.db2.gz BWIRGYRUUZAUQZ-CQSZACIVSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CCn1cncn1 ZINC001403850067 1002628136 /nfs/dbraw/zinc/62/81/36/1002628136.db2.gz MFVBLZOYOGPFMA-OAHLLOKOSA-N 1 3 322.457 0.589 20 0 DCADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CCn1cncn1 ZINC001403850067 1002628140 /nfs/dbraw/zinc/62/81/40/1002628140.db2.gz MFVBLZOYOGPFMA-OAHLLOKOSA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001425416266 1002657556 /nfs/dbraw/zinc/65/75/56/1002657556.db2.gz KOWLUIKLTWMDMJ-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403876890 1002668214 /nfs/dbraw/zinc/66/82/14/1002668214.db2.gz JPXZIROQXYWFTK-CVEARBPZSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403876890 1002668219 /nfs/dbraw/zinc/66/82/19/1002668219.db2.gz JPXZIROQXYWFTK-CVEARBPZSA-N 1 3 320.437 0.251 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001508137258 1016669124 /nfs/dbraw/zinc/66/91/24/1016669124.db2.gz QSOLMOBLCSHIMS-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCOCCNCc1cccnc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001508187092 1016696149 /nfs/dbraw/zinc/69/61/49/1016696149.db2.gz HUGGECRYPWKYDY-MRXNPFEDSA-N 1 3 320.437 0.598 20 0 DCADHO CN(CCOCCNCc1cccnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001508187092 1016696160 /nfs/dbraw/zinc/69/61/60/1016696160.db2.gz HUGGECRYPWKYDY-MRXNPFEDSA-N 1 3 320.437 0.598 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001420769564 1002931763 /nfs/dbraw/zinc/93/17/63/1002931763.db2.gz LEOICPDDDSYBNN-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](F)CC[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001425800174 1003125581 /nfs/dbraw/zinc/12/55/81/1003125581.db2.gz VVSZNXWJIRMKJB-STQMWFEESA-N 1 3 303.422 0.676 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001425879603 1003212101 /nfs/dbraw/zinc/21/21/01/1003212101.db2.gz ACFGVKSGEHHZBJ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC001420991350 1003213403 /nfs/dbraw/zinc/21/34/03/1003213403.db2.gz CPGICKYLJGLKHL-ZBFHGGJFSA-N 1 3 309.454 0.993 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)CC(C)(C)C ZINC001421113871 1003333537 /nfs/dbraw/zinc/33/35/37/1003333537.db2.gz ZZUWVDHSMRAANI-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C)C(N)=O ZINC001426158322 1003473876 /nfs/dbraw/zinc/47/38/76/1003473876.db2.gz ZLFGQQNXDAMJDC-WCQYABFASA-N 1 3 312.458 0.465 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001426163120 1003630386 /nfs/dbraw/zinc/63/03/86/1003630386.db2.gz IVRFHEFMLQFFKV-TZMCWYRMSA-N 1 3 322.457 0.387 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001426163120 1003630391 /nfs/dbraw/zinc/63/03/91/1003630391.db2.gz IVRFHEFMLQFFKV-TZMCWYRMSA-N 1 3 322.457 0.387 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001426226118 1003664172 /nfs/dbraw/zinc/66/41/72/1003664172.db2.gz YIYYBROBADXNEJ-JXQTWKCFSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001428461130 1003947613 /nfs/dbraw/zinc/94/76/13/1003947613.db2.gz FVFQJWBJQGFQNM-NHAGDIPZSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001406777826 1004084141 /nfs/dbraw/zinc/08/41/41/1004084141.db2.gz NXURMRUZMYWEEI-AEGPPILISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001406777826 1004084148 /nfs/dbraw/zinc/08/41/48/1004084148.db2.gz NXURMRUZMYWEEI-AEGPPILISA-N 1 3 324.469 0.289 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001407101666 1004384026 /nfs/dbraw/zinc/38/40/26/1004384026.db2.gz JNJWQUBRSOBSQK-ZNMIVQPWSA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001407114844 1004397479 /nfs/dbraw/zinc/39/74/79/1004397479.db2.gz XLHCCFZOENDBHK-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001427646592 1004507291 /nfs/dbraw/zinc/50/72/91/1004507291.db2.gz UCJBARRQQFODLI-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001429494563 1004631324 /nfs/dbraw/zinc/63/13/24/1004631324.db2.gz CHNFPQONDABMGF-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001429494563 1004631319 /nfs/dbraw/zinc/63/13/19/1004631319.db2.gz CHNFPQONDABMGF-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001429501441 1004633554 /nfs/dbraw/zinc/63/35/54/1004633554.db2.gz LBSKLUOKTSENQR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001429501441 1004633558 /nfs/dbraw/zinc/63/35/58/1004633558.db2.gz LBSKLUOKTSENQR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001407525636 1004711058 /nfs/dbraw/zinc/71/10/58/1004711058.db2.gz FMIZBWJBPWYQEW-APIJFGDWSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cnns1 ZINC001408228021 1005116735 /nfs/dbraw/zinc/11/67/35/1005116735.db2.gz AFXGRRAQZWAKNC-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cnns1 ZINC001408228021 1005116740 /nfs/dbraw/zinc/11/67/40/1005116740.db2.gz AFXGRRAQZWAKNC-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001415009021 1005441292 /nfs/dbraw/zinc/44/12/92/1005441292.db2.gz FTGMWXVALOMQFK-BYNSBNAKSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001415009021 1005441293 /nfs/dbraw/zinc/44/12/93/1005441293.db2.gz FTGMWXVALOMQFK-BYNSBNAKSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001415409868 1005520110 /nfs/dbraw/zinc/52/01/10/1005520110.db2.gz QOSMHDWOOOIUOJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNC(=O)CN(C)C2CCC2)C1 ZINC001415523664 1005553830 /nfs/dbraw/zinc/55/38/30/1005553830.db2.gz KEBVTGCLQIKJRE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CN(C)C2CCC2)C1 ZINC001415523664 1005553833 /nfs/dbraw/zinc/55/38/33/1005553833.db2.gz KEBVTGCLQIKJRE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001415999098 1005645056 /nfs/dbraw/zinc/64/50/56/1005645056.db2.gz HLXFQJZHRLEUFW-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001415999098 1005645057 /nfs/dbraw/zinc/64/50/57/1005645057.db2.gz HLXFQJZHRLEUFW-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001473893540 1016987159 /nfs/dbraw/zinc/98/71/59/1016987159.db2.gz QOWLTCJSZWJNHP-SJORKVTESA-N 1 3 313.486 0.325 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001473893540 1016987167 /nfs/dbraw/zinc/98/71/67/1016987167.db2.gz QOWLTCJSZWJNHP-SJORKVTESA-N 1 3 313.486 0.325 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001417160263 1005795427 /nfs/dbraw/zinc/79/54/27/1005795427.db2.gz GPCVVPJKQUXHID-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001417160263 1005795429 /nfs/dbraw/zinc/79/54/29/1005795429.db2.gz GPCVVPJKQUXHID-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CC[NH+](C)C)C(=O)CN(C)C1CCC1 ZINC001514651705 1017000559 /nfs/dbraw/zinc/00/05/59/1017000559.db2.gz KNLGSOBNKFGHOR-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001417903302 1005919301 /nfs/dbraw/zinc/91/93/01/1005919301.db2.gz TYYHZLIFDQSEKW-OCCSQVGLSA-N 1 3 310.442 0.315 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CCCC3)C2)C1 ZINC001418044357 1005972849 /nfs/dbraw/zinc/97/28/49/1005972849.db2.gz CLXQGQZYYIUQFR-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC3CCCC3)C2)C1 ZINC001418044357 1005972856 /nfs/dbraw/zinc/97/28/56/1005972856.db2.gz CLXQGQZYYIUQFR-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001418066762 1005999026 /nfs/dbraw/zinc/99/90/26/1005999026.db2.gz YOQLHQAJSFFUQV-JOCQHMNTSA-N 1 3 308.430 0.295 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001438713694 1006060832 /nfs/dbraw/zinc/06/08/32/1006060832.db2.gz XIATWDJIKQGEQH-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001438713694 1006060847 /nfs/dbraw/zinc/06/08/47/1006060847.db2.gz XIATWDJIKQGEQH-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)CCC1 ZINC001418127823 1006079478 /nfs/dbraw/zinc/07/94/78/1006079478.db2.gz PNBOFBZCXZRPEL-OKILXGFUSA-N 1 3 305.426 0.604 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)C1 ZINC001514722264 1017020751 /nfs/dbraw/zinc/02/07/51/1017020751.db2.gz PVSYTLWIKBSLBP-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001438774146 1006109308 /nfs/dbraw/zinc/10/93/08/1006109308.db2.gz QAYQTRSTKSITSP-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001418166155 1006122099 /nfs/dbraw/zinc/12/20/99/1006122099.db2.gz WTJCGMUTJKYRPM-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001418165902 1006122134 /nfs/dbraw/zinc/12/21/34/1006122134.db2.gz HNVFIFSKCIDEDG-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001436388016 1006156641 /nfs/dbraw/zinc/15/66/41/1006156641.db2.gz BLURYMPUIMGGDK-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001451437963 1006172644 /nfs/dbraw/zinc/17/26/44/1006172644.db2.gz CANWJBYHJXZECJ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001418236589 1006222763 /nfs/dbraw/zinc/22/27/63/1006222763.db2.gz QMVKSOQXVNLETE-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C ZINC001418302096 1006336392 /nfs/dbraw/zinc/33/63/92/1006336392.db2.gz JNFVQHUOKWGVND-LLVKDONJSA-N 1 3 304.398 0.331 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1C)N(C)C ZINC001438999384 1006342231 /nfs/dbraw/zinc/34/22/31/1006342231.db2.gz KVOIJWKUPKTSPW-HUUCEWRRSA-N 1 3 308.426 0.297 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001439004016 1006347324 /nfs/dbraw/zinc/34/73/24/1006347324.db2.gz RJJXOVYLDSRWRD-LSDHHAIUSA-N 1 3 311.401 0.733 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)NC1CC1)C(=O)[C@H]1CCCN1C ZINC001439069423 1006430794 /nfs/dbraw/zinc/43/07/94/1006430794.db2.gz DLHRFOKSUGFDJU-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)[C@@H]1CCCN1C ZINC001439070906 1006433612 /nfs/dbraw/zinc/43/36/12/1006433612.db2.gz FVQADKCSNGSMJJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001436933635 1006465060 /nfs/dbraw/zinc/46/50/60/1006465060.db2.gz CSYLXFLNHXNBAL-SHTZXODSSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001437024299 1006535320 /nfs/dbraw/zinc/53/53/20/1006535320.db2.gz URXNBWWJNPLPLI-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]21 ZINC001437075721 1006572444 /nfs/dbraw/zinc/57/24/44/1006572444.db2.gz KFCZADSLOHEXED-QMIVOQANSA-N 1 3 315.433 0.748 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]21 ZINC001437075721 1006572449 /nfs/dbraw/zinc/57/24/49/1006572449.db2.gz KFCZADSLOHEXED-QMIVOQANSA-N 1 3 315.433 0.748 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439223085 1006599904 /nfs/dbraw/zinc/59/99/04/1006599904.db2.gz CUVRSPYSWOSJGR-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)C12CCC[NH+]1CCC2 ZINC001439347037 1006737730 /nfs/dbraw/zinc/73/77/30/1006737730.db2.gz OANIWHYUXMHJSJ-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)NC1CC1 ZINC001437260981 1006780259 /nfs/dbraw/zinc/78/02/59/1006780259.db2.gz JSHQRGIUKNVSGF-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001437379221 1006907089 /nfs/dbraw/zinc/90/70/89/1006907089.db2.gz HZIZYHQIRRPDMH-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](O)CN(C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001437515657 1007077642 /nfs/dbraw/zinc/07/76/42/1007077642.db2.gz CHCSCIOPQPARLC-CQSZACIVSA-N 1 3 307.438 0.833 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)CCc1cnn(C)c1 ZINC001437541159 1007115376 /nfs/dbraw/zinc/11/53/76/1007115376.db2.gz KKHTYOLEEXETOQ-UHFFFAOYSA-N 1 3 305.426 0.106 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001439781547 1007190051 /nfs/dbraw/zinc/19/00/51/1007190051.db2.gz GILHPYHSPCFQHJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437718916 1007302016 /nfs/dbraw/zinc/30/20/16/1007302016.db2.gz FVSJKYXRTMWMOW-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC(N)=O)CC1)N(C)C ZINC001437847269 1007462797 /nfs/dbraw/zinc/46/27/97/1007462797.db2.gz FOWSTNOWYAGHOP-SWLSCSKDSA-N 1 3 312.458 0.275 20 0 DCADHO CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCO)C1 ZINC001437895301 1007484716 /nfs/dbraw/zinc/48/47/16/1007484716.db2.gz QMPXBYIYUWQIMD-HZPDHXFCSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437974277 1007547593 /nfs/dbraw/zinc/54/75/93/1007547593.db2.gz IPGNXLAWKYTTGU-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437974277 1007547600 /nfs/dbraw/zinc/54/76/00/1007547600.db2.gz IPGNXLAWKYTTGU-STQMWFEESA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001437983996 1007558378 /nfs/dbraw/zinc/55/83/78/1007558378.db2.gz AHAMOXPVGGJMGY-TZMCWYRMSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001437983996 1007558386 /nfs/dbraw/zinc/55/83/86/1007558386.db2.gz AHAMOXPVGGJMGY-TZMCWYRMSA-N 1 3 310.442 0.125 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001440218301 1007588839 /nfs/dbraw/zinc/58/88/39/1007588839.db2.gz CVHVTMCRNDPRLW-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC001438211829 1007709161 /nfs/dbraw/zinc/70/91/61/1007709161.db2.gz ZSLYMDWZFSJYAQ-SJORKVTESA-N 1 3 319.449 0.732 20 0 DCADHO CN(CC(=O)N[C@@](C)(C[NH2+][C@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001438422674 1007898453 /nfs/dbraw/zinc/89/84/53/1007898453.db2.gz TYNOTYDBMSNCIJ-YOEHRIQHSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001438460007 1007922223 /nfs/dbraw/zinc/92/22/23/1007922223.db2.gz NEYQLHXYEJQILP-MGPQQGTHSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]CCn1cncn1 ZINC001440832305 1008051183 /nfs/dbraw/zinc/05/11/83/1008051183.db2.gz SPZHXWHKRMNVSW-ZIAGYGMSSA-N 1 3 322.457 0.635 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)C[C@H]1CCc2ncnn21 ZINC001440981606 1008155181 /nfs/dbraw/zinc/15/51/81/1008155181.db2.gz DUZGGXNLNBBWRX-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C[C@H]1CCc2ncnn21 ZINC001440981606 1008155184 /nfs/dbraw/zinc/15/51/84/1008155184.db2.gz DUZGGXNLNBBWRX-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441001282 1008169704 /nfs/dbraw/zinc/16/97/04/1008169704.db2.gz MIYHFFRAZQOXOG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441001282 1008169706 /nfs/dbraw/zinc/16/97/06/1008169706.db2.gz MIYHFFRAZQOXOG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441450709 1008359285 /nfs/dbraw/zinc/35/92/85/1008359285.db2.gz SOBQSEUOTPUOKG-QEJZJMRPSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441450709 1008359288 /nfs/dbraw/zinc/35/92/88/1008359288.db2.gz SOBQSEUOTPUOKG-QEJZJMRPSA-N 1 3 324.469 0.289 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001441459301 1008363038 /nfs/dbraw/zinc/36/30/38/1008363038.db2.gz HGAWWKAPQHXMTC-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001441524793 1008389868 /nfs/dbraw/zinc/38/98/68/1008389868.db2.gz NNYUDVNBPVOCAH-BETUJISGSA-N 1 3 312.458 0.480 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001441542836 1008396798 /nfs/dbraw/zinc/39/67/98/1008396798.db2.gz UPLIHKNUUFDGDJ-XGUBFFRZSA-N 1 3 313.442 0.105 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCCC1 ZINC001441621635 1008427783 /nfs/dbraw/zinc/42/77/83/1008427783.db2.gz IHDYQACIPDFXCY-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCCC1 ZINC001441621635 1008427785 /nfs/dbraw/zinc/42/77/85/1008427785.db2.gz IHDYQACIPDFXCY-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001441763330 1008492549 /nfs/dbraw/zinc/49/25/49/1008492549.db2.gz ZFBZSRLTAMDYQY-HSBZDZAISA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001441842817 1008556044 /nfs/dbraw/zinc/55/60/44/1008556044.db2.gz NQUISQFXHPVUAI-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001441842817 1008556058 /nfs/dbraw/zinc/55/60/58/1008556058.db2.gz NQUISQFXHPVUAI-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441928062 1008666591 /nfs/dbraw/zinc/66/65/91/1008666591.db2.gz AECMHOONUNNAOK-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H]2CCN(C)C2=O)CCCC1 ZINC001421535200 1008699213 /nfs/dbraw/zinc/69/92/13/1008699213.db2.gz NQIOVAZBARBNQH-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1)N(C)C ZINC001421594896 1008769433 /nfs/dbraw/zinc/76/94/33/1008769433.db2.gz VFNXERLEHFTSCH-KKUMJFAQSA-N 1 3 322.457 0.635 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001421638565 1008849191 /nfs/dbraw/zinc/84/91/91/1008849191.db2.gz SYPGLLXGDKOBJC-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001421638565 1008849207 /nfs/dbraw/zinc/84/92/07/1008849207.db2.gz SYPGLLXGDKOBJC-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001454182937 1008980525 /nfs/dbraw/zinc/98/05/25/1008980525.db2.gz YWYVNNNMRHKMPP-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001454182937 1008980537 /nfs/dbraw/zinc/98/05/37/1008980537.db2.gz YWYVNNNMRHKMPP-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@@H]2CCNC(=O)CC2)CCC1 ZINC001442409868 1009281544 /nfs/dbraw/zinc/28/15/44/1009281544.db2.gz AORMPVUZVBFAID-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@@H]2CCNC(=O)CC2)CCC1 ZINC001442409868 1009281561 /nfs/dbraw/zinc/28/15/61/1009281561.db2.gz AORMPVUZVBFAID-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001422030589 1009417204 /nfs/dbraw/zinc/41/72/04/1009417204.db2.gz CJWQOMZRNPBWPW-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001422030589 1009417210 /nfs/dbraw/zinc/41/72/10/1009417210.db2.gz CJWQOMZRNPBWPW-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001433985417 1009430623 /nfs/dbraw/zinc/43/06/23/1009430623.db2.gz JPKNZOKWYVEREO-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001422045857 1009432024 /nfs/dbraw/zinc/43/20/24/1009432024.db2.gz FQAVWFZDDXUYFJ-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1CCn1cncn1 ZINC001422118394 1009508976 /nfs/dbraw/zinc/50/89/76/1009508976.db2.gz CRJFNWBSUGSLMD-KGLIPLIRSA-N 1 3 308.430 0.199 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001455377102 1009693646 /nfs/dbraw/zinc/69/36/46/1009693646.db2.gz IVHBZZUAGIKIKG-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001422290891 1009790902 /nfs/dbraw/zinc/79/09/02/1009790902.db2.gz XMHNARCLDDSMMJ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001422327939 1009879536 /nfs/dbraw/zinc/87/95/36/1009879536.db2.gz RRCLECFEHVCGQN-HZPDHXFCSA-N 1 3 320.437 0.523 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001455766608 1009958192 /nfs/dbraw/zinc/95/81/92/1009958192.db2.gz WFUJWOOOIJAJGQ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001422385261 1009993094 /nfs/dbraw/zinc/99/30/94/1009993094.db2.gz XSDUVXQMOGOWRX-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001422414265 1010047904 /nfs/dbraw/zinc/04/79/04/1010047904.db2.gz YGMOQTWOQSERQV-JKSUJKDBSA-N 1 3 322.453 0.543 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422435928 1010078890 /nfs/dbraw/zinc/07/88/90/1010078890.db2.gz AZAFCTWIVKIVEQ-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001422447559 1010099775 /nfs/dbraw/zinc/09/97/75/1010099775.db2.gz JBBQOOPXAYYZDF-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001422464083 1010122431 /nfs/dbraw/zinc/12/24/31/1010122431.db2.gz YUBNJARKZMBGGA-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001443188117 1010201961 /nfs/dbraw/zinc/20/19/61/1010201961.db2.gz MJXMAJNATSLZOP-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N[C@H](C)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001422508276 1010205391 /nfs/dbraw/zinc/20/53/91/1010205391.db2.gz BCZBHEMPFSWVTJ-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](O)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001443364586 1010369044 /nfs/dbraw/zinc/36/90/44/1010369044.db2.gz ROXKBYMPGPXFKO-GJZGRUSLSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](O)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001443364586 1010369046 /nfs/dbraw/zinc/36/90/46/1010369046.db2.gz ROXKBYMPGPXFKO-GJZGRUSLSA-N 1 3 311.470 0.879 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)[C@@H](C)C(N)=O)CC1 ZINC001443368121 1010371198 /nfs/dbraw/zinc/37/11/98/1010371198.db2.gz FDVSILLDKKHDPR-ZDUSSCGKSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)[C@@H](C)C(N)=O)CC1 ZINC001443368121 1010371207 /nfs/dbraw/zinc/37/12/07/1010371207.db2.gz FDVSILLDKKHDPR-ZDUSSCGKSA-N 1 3 312.458 0.372 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)CCC[NH+]2CCCCC2)n[nH]1 ZINC001422599267 1010382089 /nfs/dbraw/zinc/38/20/89/1010382089.db2.gz GJVWFMAWHMDOBE-CYBMUJFWSA-N 1 3 322.457 0.974 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001444240355 1010919926 /nfs/dbraw/zinc/91/99/26/1010919926.db2.gz DEJXXTBRVSWTNQ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001444240355 1010919930 /nfs/dbraw/zinc/91/99/30/1010919930.db2.gz DEJXXTBRVSWTNQ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423152185 1010927451 /nfs/dbraw/zinc/92/74/51/1010927451.db2.gz PBUJEKLCLCAJAF-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001423164777 1010934946 /nfs/dbraw/zinc/93/49/46/1010934946.db2.gz VEEICDDOPXUICZ-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)N1CCCC1 ZINC001444387221 1010993075 /nfs/dbraw/zinc/99/30/75/1010993075.db2.gz ZFABDEUVTLRXCE-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001444404151 1011002168 /nfs/dbraw/zinc/00/21/68/1011002168.db2.gz PRNCGJNMGYIFEJ-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001423463405 1011165868 /nfs/dbraw/zinc/16/58/68/1011165868.db2.gz ADOXPCUOAOABSH-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001444799370 1011175928 /nfs/dbraw/zinc/17/59/28/1011175928.db2.gz LPWQATKCHDNHTJ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)CC1 ZINC001423637777 1011373204 /nfs/dbraw/zinc/37/32/04/1011373204.db2.gz QIWNBMADZDVNQW-MRXNPFEDSA-N 1 3 310.442 0.032 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001423648857 1011389769 /nfs/dbraw/zinc/38/97/69/1011389769.db2.gz UZWSHHARVFWDOE-PBHICJAKSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnnn1C ZINC001445101517 1011405622 /nfs/dbraw/zinc/40/56/22/1011405622.db2.gz BUWHGORIZULDEZ-DZGCQCFKSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001533583239 1011455400 /nfs/dbraw/zinc/45/54/00/1011455400.db2.gz UOIBTLGACWBPQE-WJNHHXLDSA-N 1 3 324.469 0.455 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C/C=C\Cl)C1 ZINC001423770312 1011518099 /nfs/dbraw/zinc/51/80/99/1011518099.db2.gz CVYIFCREUURLDT-MFOKFAIFSA-N 1 3 315.845 0.776 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C/C=C\Cl)C1 ZINC001423770312 1011518115 /nfs/dbraw/zinc/51/81/15/1011518115.db2.gz CVYIFCREUURLDT-MFOKFAIFSA-N 1 3 315.845 0.776 20 0 DCADHO CC[C@H](F)CNC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001445239634 1011562622 /nfs/dbraw/zinc/56/26/22/1011562622.db2.gz OSANTDVVUVBMML-UONOGXRCSA-N 1 3 303.422 0.533 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001445402181 1011734206 /nfs/dbraw/zinc/73/42/06/1011734206.db2.gz JLAGKPIDJNNHSP-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001431898696 1011761477 /nfs/dbraw/zinc/76/14/77/1011761477.db2.gz FTDGSICFJCJXEY-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC001432039024 1011896958 /nfs/dbraw/zinc/89/69/58/1011896958.db2.gz RLKGRASTDFFIKJ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO COCCN1CCC(NC(=O)NC2(C3CC[NH2+]CC3)CC2)CC1 ZINC001553444665 1011981236 /nfs/dbraw/zinc/98/12/36/1011981236.db2.gz XUNJRZJWLYNUOJ-UHFFFAOYSA-N 1 3 324.469 0.929 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C[NH2+]1 ZINC001553515584 1012062072 /nfs/dbraw/zinc/06/20/72/1012062072.db2.gz NPEUFJSXFMTFDK-QPSCCSFWSA-N 1 3 310.442 0.368 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553523055 1012072427 /nfs/dbraw/zinc/07/24/27/1012072427.db2.gz ZWDSJZOTZZVLKK-DGNOSDGRSA-N 1 3 322.453 0.593 20 0 DCADHO CC(C)[C@H](C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001432290980 1012270443 /nfs/dbraw/zinc/27/04/43/1012270443.db2.gz DKKDYFZCYNUXLD-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001458757466 1012351822 /nfs/dbraw/zinc/35/18/22/1012351822.db2.gz LYWNGZDWJIUWLR-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429744211 1012733250 /nfs/dbraw/zinc/73/32/50/1012733250.db2.gz YYUGABCOYUUUFH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429744211 1012733266 /nfs/dbraw/zinc/73/32/66/1012733266.db2.gz YYUGABCOYUUUFH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO O=C(N[C@H]1COC2(CNC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001548570778 1012737716 /nfs/dbraw/zinc/73/77/16/1012737716.db2.gz XEGMLNRTLUCCDC-RHSMWYFYSA-N 1 3 301.390 0.165 20 0 DCADHO CC1(C)CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC2(CNC2)O1 ZINC001548577059 1012752362 /nfs/dbraw/zinc/75/23/62/1012752362.db2.gz XXBDASOKOSKTID-LLVKDONJSA-N 1 3 319.409 0.080 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548588551 1012767499 /nfs/dbraw/zinc/76/74/99/1012767499.db2.gz XMYORBXXHYWEDY-HNNXBMFYSA-N 1 3 303.406 0.537 20 0 DCADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001515317303 1017116343 /nfs/dbraw/zinc/11/63/43/1017116343.db2.gz AYGVQIRYCOFLSB-FWLOBVJOSA-N 1 3 307.438 0.600 20 0 DCADHO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(CCc2ccnn2C)C1 ZINC001506649254 1017437709 /nfs/dbraw/zinc/43/77/09/1017437709.db2.gz KAILRDUMTBUYEI-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](O)CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001479320135 1017493703 /nfs/dbraw/zinc/49/37/03/1017493703.db2.gz AIBTXSQIPMMBPQ-QXSJWSMHSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](CNCC(N)=O)C1 ZINC001479562498 1017585611 /nfs/dbraw/zinc/58/56/11/1017585611.db2.gz SDFVDLZEOAVWAQ-SNPRPXQTSA-N 1 3 322.453 0.030 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1ccccc1Cl ZINC001497045844 1017776726 /nfs/dbraw/zinc/77/67/26/1017776726.db2.gz FOIICBOTWKQDNK-CYBMUJFWSA-N 1 3 313.829 0.858 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)[C@H]2CCCN(C)C2=O)C1 ZINC001479796504 1017779703 /nfs/dbraw/zinc/77/97/03/1017779703.db2.gz IJIYCHVDGAFGPJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@H]2CCCN(C)C2=O)C1 ZINC001479796504 1017779715 /nfs/dbraw/zinc/77/97/15/1017779715.db2.gz IJIYCHVDGAFGPJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]2C[NH2+]CCO)C1 ZINC001499926522 1018138779 /nfs/dbraw/zinc/13/87/79/1018138779.db2.gz KNXAIVGURNSNFM-XJKSGUPXSA-N 1 3 315.433 0.772 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001499940979 1018144101 /nfs/dbraw/zinc/14/41/01/1018144101.db2.gz AGFFGLOHIOSMNU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001499940979 1018144107 /nfs/dbraw/zinc/14/41/07/1018144107.db2.gz AGFFGLOHIOSMNU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1)C(N)=O ZINC001500106403 1018226566 /nfs/dbraw/zinc/22/65/66/1018226566.db2.gz DSEIKBZXWJYGBP-WFASDCNBSA-N 1 3 324.469 0.467 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001480173784 1018281870 /nfs/dbraw/zinc/28/18/70/1018281870.db2.gz NAFINAXEWOIQPQ-XDQVBPFNSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001480208587 1018314647 /nfs/dbraw/zinc/31/46/47/1018314647.db2.gz YBWHAEIZPQUISG-RWMBFGLXSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001480296604 1018409707 /nfs/dbraw/zinc/40/97/07/1018409707.db2.gz YVCGUBIVBUGRAT-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001500382066 1018432974 /nfs/dbraw/zinc/43/29/74/1018432974.db2.gz JXWPLYOTCMWFRV-WBMJQRKESA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001500382063 1018433175 /nfs/dbraw/zinc/43/31/75/1018433175.db2.gz JXWPLYOTCMWFRV-BLLLJJGKSA-N 1 3 321.425 0.257 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480463313 1018557247 /nfs/dbraw/zinc/55/72/47/1018557247.db2.gz TYXKDKONTMGATR-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480463313 1018557251 /nfs/dbraw/zinc/55/72/51/1018557251.db2.gz TYXKDKONTMGATR-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480463317 1018558251 /nfs/dbraw/zinc/55/82/51/1018558251.db2.gz TYXKDKONTMGATR-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480463317 1018558266 /nfs/dbraw/zinc/55/82/66/1018558266.db2.gz TYXKDKONTMGATR-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cnn(C)c1 ZINC001480481015 1018578464 /nfs/dbraw/zinc/57/84/64/1018578464.db2.gz VBSOVOXGDWIHLT-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cnn(C)c1 ZINC001480481015 1018578473 /nfs/dbraw/zinc/57/84/73/1018578473.db2.gz VBSOVOXGDWIHLT-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001495718401 1018667901 /nfs/dbraw/zinc/66/79/01/1018667901.db2.gz IFWBVCYWKISNKV-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001498168616 1018710120 /nfs/dbraw/zinc/71/01/20/1018710120.db2.gz WKXIIOFSTXGCEG-ZFWWWQNUSA-N 1 3 309.458 0.643 20 0 DCADHO CN(C(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C1CC1 ZINC001480623061 1018715331 /nfs/dbraw/zinc/71/53/31/1018715331.db2.gz LFBOBIJTGCSTEC-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001498194351 1018740746 /nfs/dbraw/zinc/74/07/46/1018740746.db2.gz BTTNXMYHAZPLKU-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001498194351 1018740760 /nfs/dbraw/zinc/74/07/60/1018740760.db2.gz BTTNXMYHAZPLKU-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496133392 1019100689 /nfs/dbraw/zinc/10/06/89/1019100689.db2.gz WOPAFGJFVMVLCG-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496228702 1019175750 /nfs/dbraw/zinc/17/57/50/1019175750.db2.gz BVKJKBKROVZYPJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496228702 1019175764 /nfs/dbraw/zinc/17/57/64/1019175764.db2.gz BVKJKBKROVZYPJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C(=O)CN1CCCC1 ZINC001496230627 1019180386 /nfs/dbraw/zinc/18/03/86/1019180386.db2.gz ZRQUEXLFPQACKI-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)[C@@H](C)C1 ZINC001496369069 1019271790 /nfs/dbraw/zinc/27/17/90/1019271790.db2.gz PQTJCJKXFKWOFS-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001498707219 1019334440 /nfs/dbraw/zinc/33/44/40/1019334440.db2.gz IOBXTKPKPABIMT-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001498707219 1019334456 /nfs/dbraw/zinc/33/44/56/1019334456.db2.gz IOBXTKPKPABIMT-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001501709933 1019403904 /nfs/dbraw/zinc/40/39/04/1019403904.db2.gz CYLBJGIHYJKTOM-FZKCQIBNSA-N 1 3 311.470 0.974 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001498873022 1019492502 /nfs/dbraw/zinc/49/25/02/1019492502.db2.gz IGMKZEALIWOFCW-HOCLYGCPSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001493696325 1019640391 /nfs/dbraw/zinc/64/03/91/1019640391.db2.gz UGJVHDWXADFDMI-UHFFFAOYSA-N 1 3 320.437 0.198 20 0 DCADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001493733047 1019669900 /nfs/dbraw/zinc/66/99/00/1019669900.db2.gz RZBHZNFJGSBSKH-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001499097166 1019741183 /nfs/dbraw/zinc/74/11/83/1019741183.db2.gz YAHAJWRMEMXJSJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001499097166 1019741201 /nfs/dbraw/zinc/74/12/01/1019741201.db2.gz YAHAJWRMEMXJSJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C[C@@H]1CCCN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000332121213 282119206 /nfs/dbraw/zinc/11/92/06/282119206.db2.gz ICWAEVULTINELT-OLZOCXBDSA-N 1 3 306.414 0.369 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000340481790 282183281 /nfs/dbraw/zinc/18/32/81/282183281.db2.gz SUSNPIGCENIZFU-RRFJBIMHSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000340481790 282183284 /nfs/dbraw/zinc/18/32/84/282183284.db2.gz SUSNPIGCENIZFU-RRFJBIMHSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000410434382 529900666 /nfs/dbraw/zinc/90/06/66/529900666.db2.gz OECSXNQRDSEGEX-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000410434382 529900667 /nfs/dbraw/zinc/90/06/67/529900667.db2.gz OECSXNQRDSEGEX-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410733800 529908123 /nfs/dbraw/zinc/90/81/23/529908123.db2.gz WJWCZRRXYANSMB-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000410733800 529908124 /nfs/dbraw/zinc/90/81/24/529908124.db2.gz WJWCZRRXYANSMB-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000342753290 291049962 /nfs/dbraw/zinc/04/99/62/291049962.db2.gz POGKGZKVJANZCP-HEHGZKQESA-N 1 3 313.442 0.894 20 0 DCADHO Cc1c(C(=O)NCCN2CC[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000566296051 291291958 /nfs/dbraw/zinc/29/19/58/291291958.db2.gz MVNTVXIRESJOSJ-GFCCVEGCSA-N 1 3 320.441 0.583 20 0 DCADHO O=C(NC1CNC1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000566846183 291325582 /nfs/dbraw/zinc/32/55/82/291325582.db2.gz ZVHHERBGTICEDY-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423386292 240197835 /nfs/dbraw/zinc/19/78/35/240197835.db2.gz HCJIFDSRAVGGLC-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CCC1 ZINC000423563750 240207542 /nfs/dbraw/zinc/20/75/42/240207542.db2.gz ABMXLKCKOOBSFQ-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO CN(C)[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1O ZINC000567365734 291351515 /nfs/dbraw/zinc/35/15/15/291351515.db2.gz KHHZSBFDOHWQHZ-HOTGVXAUSA-N 1 3 305.422 0.538 20 0 DCADHO CCN(CCO)CCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000187254803 261122712 /nfs/dbraw/zinc/12/27/12/261122712.db2.gz OWFYLJZNCNXOFU-UHFFFAOYSA-N 1 3 300.447 0.332 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)[C@@H](N)C3CCC3)CC2)CC1 ZINC000568980445 291455758 /nfs/dbraw/zinc/45/57/58/291455758.db2.gz XRWXQLHLBQTWFD-INIZCTEOSA-N 1 3 308.470 0.789 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000569571613 291485302 /nfs/dbraw/zinc/48/53/02/291485302.db2.gz LQFMTMQPWGIHLM-YOEHRIQHSA-N 1 3 323.437 0.377 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C3(C[NH3+])CCCC3)C2)nn1 ZINC000573562681 291640048 /nfs/dbraw/zinc/64/00/48/291640048.db2.gz BSPGARDAHOHHBA-ZDUSSCGKSA-N 1 3 306.414 0.419 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000105193138 194083455 /nfs/dbraw/zinc/08/34/55/194083455.db2.gz PGDXBRZRZVFARC-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C[C@@H]1C ZINC000339634067 253118452 /nfs/dbraw/zinc/11/84/52/253118452.db2.gz LCLRFXJRIYRZLV-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C[C@@H]1C ZINC000339634067 253118454 /nfs/dbraw/zinc/11/84/54/253118454.db2.gz LCLRFXJRIYRZLV-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000339669816 253123874 /nfs/dbraw/zinc/12/38/74/253123874.db2.gz IWESTIRYFCJOEE-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340830363 253311417 /nfs/dbraw/zinc/31/14/17/253311417.db2.gz RXTNWMXUWGILLD-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340830363 253311419 /nfs/dbraw/zinc/31/14/19/253311419.db2.gz RXTNWMXUWGILLD-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)(C)c1n[nH]cc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347022445 254121783 /nfs/dbraw/zinc/12/17/83/254121783.db2.gz OKSUYKMCCLFIDQ-GFCCVEGCSA-N 1 3 307.442 0.994 20 0 DCADHO CC(C)(C)c1n[nH]cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347022446 254121998 /nfs/dbraw/zinc/12/19/98/254121998.db2.gz OKSUYKMCCLFIDQ-LBPRGKRZSA-N 1 3 307.442 0.994 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[N@@H+]1C ZINC000347961564 254205486 /nfs/dbraw/zinc/20/54/86/254205486.db2.gz IHWYDDXNKLGHGS-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[N@H+]1C ZINC000347961564 254205488 /nfs/dbraw/zinc/20/54/88/254205488.db2.gz IHWYDDXNKLGHGS-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000348144298 254223263 /nfs/dbraw/zinc/22/32/63/254223263.db2.gz OXECGBXPJUXBBN-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000349909796 254303768 /nfs/dbraw/zinc/30/37/68/254303768.db2.gz ZODAAQSOJLGEOK-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CC[NH+](CC)CC1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000350178015 254313018 /nfs/dbraw/zinc/31/30/18/254313018.db2.gz VNIBFVHGPXBTBZ-UHFFFAOYSA-N 1 3 322.453 0.638 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351519577 254342737 /nfs/dbraw/zinc/34/27/37/254342737.db2.gz OQTZWTYVWIDYEK-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000295017781 224381844 /nfs/dbraw/zinc/38/18/44/224381844.db2.gz MXUUTBVUESAJDA-USXIJHARSA-N 1 3 316.449 0.829 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000340214632 131202335 /nfs/dbraw/zinc/20/23/35/131202335.db2.gz LJRLFTSDZTXKKL-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCOCC[NH+](C)C)C1(C)C ZINC000233770290 395887787 /nfs/dbraw/zinc/88/77/87/395887787.db2.gz UKBMPURHFWRTPC-DOMZBBRYSA-N 1 3 301.431 0.213 20 0 DCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000236693737 395895632 /nfs/dbraw/zinc/89/56/32/395895632.db2.gz FLCFLNRMRWISFI-XJKSGUPXSA-N 1 3 312.458 0.276 20 0 DCADHO O=C(CC1(N2CCOCC2)CCCC1)NCCN1CC[NH2+]CC1 ZINC000237927766 395919873 /nfs/dbraw/zinc/91/98/73/395919873.db2.gz HPRIWPJHDIVBBW-UHFFFAOYSA-N 1 3 324.469 0.043 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCn2ccnc2C1 ZINC000118976142 395866310 /nfs/dbraw/zinc/86/63/10/395866310.db2.gz AFEVORBCKUKSFB-AWEZNQCLSA-N 1 3 307.442 0.397 20 0 DCADHO C[C@@H](C(=O)N1CCCCC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261845994 396071755 /nfs/dbraw/zinc/07/17/55/396071755.db2.gz CZDOCMBGUHYTLJ-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO COCC1(CNC(=O)[C@@H](CN)c2ccccc2)CC[NH2+]CC1 ZINC000261793039 396066192 /nfs/dbraw/zinc/06/61/92/396066192.db2.gz UPYUIFYLTMOYNJ-HNNXBMFYSA-N 1 3 305.422 0.861 20 0 DCADHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000261800742 396066911 /nfs/dbraw/zinc/06/69/11/396066911.db2.gz USMGOWJGRXHYRF-CQSZACIVSA-N 1 3 321.421 0.991 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CN1C1CC1 ZINC000278930529 396141244 /nfs/dbraw/zinc/14/12/44/396141244.db2.gz FBTDCBYHZFACDV-GRYCIOLGSA-N 1 3 303.410 0.842 20 0 DCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000262182072 396107592 /nfs/dbraw/zinc/10/75/92/396107592.db2.gz RAJOUCQKOGNYMI-INIZCTEOSA-N 1 3 308.470 0.472 20 0 DCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000262182072 396107595 /nfs/dbraw/zinc/10/75/95/396107595.db2.gz RAJOUCQKOGNYMI-INIZCTEOSA-N 1 3 308.470 0.472 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000171196165 396110136 /nfs/dbraw/zinc/11/01/36/396110136.db2.gz VVNBQXGZRNJJCV-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000171196165 396110138 /nfs/dbraw/zinc/11/01/38/396110138.db2.gz VVNBQXGZRNJJCV-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@H](C[NH3+])C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000262424312 396139164 /nfs/dbraw/zinc/13/91/64/396139164.db2.gz SCNZYNYEMWMMRP-MRXNPFEDSA-N 1 3 318.465 0.857 20 0 DCADHO CN(C)CCOc1cc(C[NH2+]C2CCN(C=O)CC2)ccn1 ZINC000278696379 396139491 /nfs/dbraw/zinc/13/94/91/396139491.db2.gz KTQZNWIOEPCSRB-UHFFFAOYSA-N 1 3 306.410 0.732 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2ccccc2F)C1 ZINC000261943708 396082871 /nfs/dbraw/zinc/08/28/71/396082871.db2.gz LVPNZCSHNOHGRY-CYBMUJFWSA-N 1 3 309.385 0.991 20 0 DCADHO C[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000261964508 396084486 /nfs/dbraw/zinc/08/44/86/396084486.db2.gz AOQGMPCHABHJGF-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CN)CC1 ZINC000262652275 396168207 /nfs/dbraw/zinc/16/82/07/396168207.db2.gz RUFGFHNYDYSCED-UHFFFAOYSA-N 1 3 306.410 0.234 20 0 DCADHO CCS(=O)(=O)C[C@H](C)[NH2+]CCCCN1CCC[C@@H]1CO ZINC000182934863 396256571 /nfs/dbraw/zinc/25/65/71/396256571.db2.gz DFAVJACXSMIHSU-UONOGXRCSA-N 1 3 306.472 0.636 20 0 DCADHO CN(CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000077596732 396227542 /nfs/dbraw/zinc/22/75/42/396227542.db2.gz YKCRLPWKIOFLIN-AWEZNQCLSA-N 1 3 324.469 0.881 20 0 DCADHO Cc1noc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000077806659 396233765 /nfs/dbraw/zinc/23/37/65/396233765.db2.gz GSHVVQSMYGDOLV-NSHDSACASA-N 1 3 312.418 0.574 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCCC[NH+]2CCCCC2)CC1=O ZINC000081230974 396295582 /nfs/dbraw/zinc/29/55/82/396295582.db2.gz KJWRXEVNZRAXHK-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185681309 396332811 /nfs/dbraw/zinc/33/28/11/396332811.db2.gz YGNNDCQEIQMIQP-OAHLLOKOSA-N 1 3 313.490 0.652 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185681309 396332812 /nfs/dbraw/zinc/33/28/12/396332812.db2.gz YGNNDCQEIQMIQP-OAHLLOKOSA-N 1 3 313.490 0.652 20 0 DCADHO CN(CCCn1ccnc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000515381114 396505278 /nfs/dbraw/zinc/50/52/78/396505278.db2.gz USCCIMCOYMZHDO-GFCCVEGCSA-N 1 3 302.382 0.845 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000581139736 396529555 /nfs/dbraw/zinc/52/95/55/396529555.db2.gz GAUKSCWDFZPYAJ-PMPSAXMXSA-N 1 3 310.442 0.705 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000581139736 396529557 /nfs/dbraw/zinc/52/95/57/396529557.db2.gz GAUKSCWDFZPYAJ-PMPSAXMXSA-N 1 3 310.442 0.705 20 0 DCADHO COCC1(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC[NH2+]CC1 ZINC000581478067 396557674 /nfs/dbraw/zinc/55/76/74/396557674.db2.gz ANIURRVKHKARFQ-KGLIPLIRSA-N 1 3 324.469 0.927 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000581725235 396578927 /nfs/dbraw/zinc/57/89/27/396578927.db2.gz CWJCWNLMTXEILW-RDBSUJKOSA-N 1 3 306.414 0.288 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000531550603 396598146 /nfs/dbraw/zinc/59/81/46/396598146.db2.gz ACRNDFZUVAQFKV-VNHYZAJKSA-N 1 3 310.442 0.489 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000531550603 396598148 /nfs/dbraw/zinc/59/81/48/396598148.db2.gz ACRNDFZUVAQFKV-VNHYZAJKSA-N 1 3 310.442 0.489 20 0 DCADHO CN1CCN(CC2CCN(C(=O)CC[NH2+]C3CC3)CC2)CC1 ZINC000582013715 396602348 /nfs/dbraw/zinc/60/23/48/396602348.db2.gz URCDQUSWSWOZBH-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000584769946 396621148 /nfs/dbraw/zinc/62/11/48/396621148.db2.gz JIHNQOJOQUYXOS-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895327 396677512 /nfs/dbraw/zinc/67/75/12/396677512.db2.gz IXCKEKQOVOLVKO-GJZGRUSLSA-N 1 3 323.437 0.614 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375237717 396720265 /nfs/dbraw/zinc/72/02/65/396720265.db2.gz OXJWVLCCVZASHA-HNNXBMFYSA-N 1 3 310.486 0.813 20 0 DCADHO O[C@H](CNC[C@@H]1CCN(CC(F)(F)F)C1)C[NH+]1CCCC1 ZINC000629557887 396786849 /nfs/dbraw/zinc/78/68/49/396786849.db2.gz HXQUODSJZUIFAX-QWHCGFSZSA-N 1 3 309.376 0.917 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000563457944 396740161 /nfs/dbraw/zinc/74/01/61/396740161.db2.gz QRXNTZRLEZQZFO-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000563620422 396761919 /nfs/dbraw/zinc/76/19/19/396761919.db2.gz XUUKFJOTPUAJEP-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000564212199 396816857 /nfs/dbraw/zinc/81/68/57/396816857.db2.gz XOCJMAMMOUFSKG-IHRRRGAJSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000332571196 396888517 /nfs/dbraw/zinc/88/85/17/396888517.db2.gz CSZISPHCNXMYOV-KBUPBQIOSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000332571196 396888520 /nfs/dbraw/zinc/88/85/20/396888520.db2.gz CSZISPHCNXMYOV-KBUPBQIOSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CN1CCN(C)CC1 ZINC000333456946 396924786 /nfs/dbraw/zinc/92/47/86/396924786.db2.gz YKZYIWRGFOQMSP-QLFBSQMISA-N 1 3 311.474 0.167 20 0 DCADHO CN1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)[C@H](C[NH3+])C1 ZINC000571745727 396982795 /nfs/dbraw/zinc/98/27/95/396982795.db2.gz ADTXPIXJRRMCJE-LSDHHAIUSA-N 1 3 309.458 0.288 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000343213262 396994659 /nfs/dbraw/zinc/99/46/59/396994659.db2.gz VLPRRDMBMSVIQV-CABCVRRESA-N 1 3 308.470 0.376 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000618666149 397006799 /nfs/dbraw/zinc/00/67/99/397006799.db2.gz WCOVYCALFZHLFV-RDJZCZTQSA-N 1 3 320.481 0.900 20 0 DCADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000618666149 397006803 /nfs/dbraw/zinc/00/68/03/397006803.db2.gz WCOVYCALFZHLFV-RDJZCZTQSA-N 1 3 320.481 0.900 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CCC[NH2+]1 ZINC000572104006 397019742 /nfs/dbraw/zinc/01/97/42/397019742.db2.gz FNYVIXOJVYNSNH-IJEWVQPXSA-N 1 3 310.442 0.491 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000572136535 397027568 /nfs/dbraw/zinc/02/75/68/397027568.db2.gz CLGHBUWQGBPTAU-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)CC[N@@H+]1C ZINC000348000203 397035436 /nfs/dbraw/zinc/03/54/36/397035436.db2.gz GNMITHDJLYECGI-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN(C)C2CC2)CC[N@H+]1C ZINC000348000203 397035442 /nfs/dbraw/zinc/03/54/42/397035442.db2.gz GNMITHDJLYECGI-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC2CCN(C)CC2)C1 ZINC000348069879 397035798 /nfs/dbraw/zinc/03/57/98/397035798.db2.gz IFJBGKCCXALPMA-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)COC)CC1 ZINC000572869614 397105570 /nfs/dbraw/zinc/10/55/70/397105570.db2.gz FMTDVQRWOQSWIV-SFHVURJKSA-N 1 3 321.465 0.921 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000618987032 397051924 /nfs/dbraw/zinc/05/19/24/397051924.db2.gz LZIAHNFKYYIIHV-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000572380292 397053908 /nfs/dbraw/zinc/05/39/08/397053908.db2.gz RFRRBYSNJFLXEH-QLFBSQMISA-N 1 3 310.442 0.348 20 0 DCADHO CN(C)CCn1cc(C(=O)NCCC2CC[NH+](C)CC2)cn1 ZINC000630874714 397126186 /nfs/dbraw/zinc/12/61/86/397126186.db2.gz GKIDVAZMHJZJNA-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO COCCCN1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612971981 397167139 /nfs/dbraw/zinc/16/71/39/397167139.db2.gz UNDSWWHLJUDHLC-OAHLLOKOSA-N 1 3 324.469 0.929 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000612974081 397168276 /nfs/dbraw/zinc/16/82/76/397168276.db2.gz OMEOPTMOAHNJJN-HUUCEWRRSA-N 1 3 323.485 0.311 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612976533 397168468 /nfs/dbraw/zinc/16/84/68/397168468.db2.gz ZGGPWASLZHBEHG-CQSZACIVSA-N 1 3 311.474 0.263 20 0 DCADHO COc1cc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)ccc1OCCN(C)C ZINC000573850240 397213210 /nfs/dbraw/zinc/21/32/10/397213210.db2.gz CAAMJRWBEQYZCQ-OKILXGFUSA-N 1 3 321.421 0.989 20 0 DCADHO CN1CCC(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000365340198 397269291 /nfs/dbraw/zinc/26/92/91/397269291.db2.gz NSJPXKOLFSWCAW-INIZCTEOSA-N 1 3 323.485 0.502 20 0 DCADHO CN1CCC(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000365340198 397269296 /nfs/dbraw/zinc/26/92/96/397269296.db2.gz NSJPXKOLFSWCAW-INIZCTEOSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000601970074 397276787 /nfs/dbraw/zinc/27/67/87/397276787.db2.gz XAMLEOVVRPYAKE-ZFWWWQNUSA-N 1 3 318.421 0.929 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCCC(=O)NC(N)=O ZINC000601970074 397276789 /nfs/dbraw/zinc/27/67/89/397276789.db2.gz XAMLEOVVRPYAKE-ZFWWWQNUSA-N 1 3 318.421 0.929 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCCC(=O)NC(N)=O ZINC000601970074 397276793 /nfs/dbraw/zinc/27/67/93/397276793.db2.gz XAMLEOVVRPYAKE-ZFWWWQNUSA-N 1 3 318.421 0.929 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000574636339 397286240 /nfs/dbraw/zinc/28/62/40/397286240.db2.gz ZJHMYRZONXNXRN-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)S(C)(=O)=O ZINC000577512784 397338597 /nfs/dbraw/zinc/33/85/97/397338597.db2.gz WHCYGWJJYJGCFY-JQWIXIFHSA-N 1 3 302.440 0.656 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000578067773 397384968 /nfs/dbraw/zinc/38/49/68/397384968.db2.gz AIKLTTNJVRBDTA-MELADBBJSA-N 1 3 300.447 0.504 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419783334 397383606 /nfs/dbraw/zinc/38/36/06/397383606.db2.gz VLQHYXIMFYVUII-MELADBBJSA-N 1 3 324.469 0.419 20 0 DCADHO COC(=O)c1cc(CNC2CCN(CC[NH+](C)C)CC2)on1 ZINC000602510557 397425118 /nfs/dbraw/zinc/42/51/18/397425118.db2.gz ZEIQYSJNVNXBIC-UHFFFAOYSA-N 1 3 310.398 0.577 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000369245525 397435492 /nfs/dbraw/zinc/43/54/92/397435492.db2.gz YJJGNJBZZYBLFM-INIZCTEOSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000369245525 397435498 /nfs/dbraw/zinc/43/54/98/397435498.db2.gz YJJGNJBZZYBLFM-INIZCTEOSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCOCC[NH+](C)C ZINC000471643389 397450559 /nfs/dbraw/zinc/45/05/59/397450559.db2.gz HVHIWXUKJXBOMS-KBPBESRZSA-N 1 3 300.447 0.546 20 0 DCADHO C[C@@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H](N(C)C)C1)CC[NH2+]CC2 ZINC000578879905 397496993 /nfs/dbraw/zinc/49/69/93/397496993.db2.gz UCAMMEMOLRAXAY-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)/C=C\C[NH+](C)C ZINC000491909138 397508221 /nfs/dbraw/zinc/50/82/21/397508221.db2.gz WMPJWUYPXYVDQP-PIZKADEWSA-N 1 3 310.442 0.163 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000578992390 397510585 /nfs/dbraw/zinc/51/05/85/397510585.db2.gz MYXORXQTQYDBLD-LLVKDONJSA-N 1 3 310.364 0.410 20 0 DCADHO CCOCC[C@@H](O)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000579701450 397589069 /nfs/dbraw/zinc/58/90/69/397589069.db2.gz FVNGSFWUGPYQDP-GOEBONIOSA-N 1 3 300.443 0.864 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000608437635 397731337 /nfs/dbraw/zinc/73/13/37/397731337.db2.gz JSPGUKCYYGMFNR-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000608437635 397731340 /nfs/dbraw/zinc/73/13/40/397731340.db2.gz JSPGUKCYYGMFNR-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000606371606 397679511 /nfs/dbraw/zinc/67/95/11/397679511.db2.gz INROHYCRYYEBPM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)C1CC[NH+](C)CC1 ZINC000606699087 397687048 /nfs/dbraw/zinc/68/70/48/397687048.db2.gz DMIAWWRTGXKTEE-DZGCQCFKSA-N 1 3 312.458 0.689 20 0 DCADHO [NH3+]CCc1nc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cs1 ZINC000091668514 158109534 /nfs/dbraw/zinc/10/95/34/158109534.db2.gz KBKPPLVJOMYITO-GHMZBOCLSA-N 1 3 310.423 0.237 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000114076176 158150045 /nfs/dbraw/zinc/15/00/45/158150045.db2.gz JIQVHRDZIOSWOH-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H]1CN(CCc2ccnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367258715 159325411 /nfs/dbraw/zinc/32/54/11/159325411.db2.gz RYIASQAZUVFNBG-DOTOQJQBSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@@H](NCC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000333344549 287020530 /nfs/dbraw/zinc/02/05/30/287020530.db2.gz YWBYDEGRGIAXIJ-OCCSQVGLSA-N 1 3 303.472 0.778 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COC[C@H]3CCCO3)CC[C@H]21 ZINC000247970937 287095655 /nfs/dbraw/zinc/09/56/55/287095655.db2.gz JHVQBKZLYOSPBI-YYIAUSFCSA-N 1 3 312.454 0.959 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COC[C@H]3CCCO3)CC[C@H]21 ZINC000247970937 287095658 /nfs/dbraw/zinc/09/56/58/287095658.db2.gz JHVQBKZLYOSPBI-YYIAUSFCSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COC[C@H]3CCCO3)CC[C@H]21 ZINC000247970937 287095659 /nfs/dbraw/zinc/09/56/59/287095659.db2.gz JHVQBKZLYOSPBI-YYIAUSFCSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COC[C@H]3CCCO3)CC[C@H]21 ZINC000247970937 287095661 /nfs/dbraw/zinc/09/56/61/287095661.db2.gz JHVQBKZLYOSPBI-YYIAUSFCSA-N 1 3 312.454 0.959 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000332576405 287218597 /nfs/dbraw/zinc/21/85/97/287218597.db2.gz GCNHDWDXPNFMGU-GBJTYRQASA-N 1 3 322.453 0.328 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418342560 287244916 /nfs/dbraw/zinc/24/49/16/287244916.db2.gz ITLKPVOBKMBCAQ-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418944457 287255613 /nfs/dbraw/zinc/25/56/13/287255613.db2.gz JXIOJVAPEBBTKC-OLZOCXBDSA-N 1 3 306.410 0.087 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418992356 287259247 /nfs/dbraw/zinc/25/92/47/287259247.db2.gz ZPGKFCOGUFNSTO-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418992356 287259249 /nfs/dbraw/zinc/25/92/49/287259249.db2.gz ZPGKFCOGUFNSTO-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000419021331 287261627 /nfs/dbraw/zinc/26/16/27/287261627.db2.gz GVIXOLZXTMEOTC-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419022641 287262521 /nfs/dbraw/zinc/26/25/21/287262521.db2.gz IKCDGPCXFHYCGG-CRWXNKLISA-N 1 3 312.458 0.323 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419146037 287267290 /nfs/dbraw/zinc/26/72/90/287267290.db2.gz HILQXVRQMFNSSD-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335535 287291183 /nfs/dbraw/zinc/29/11/83/287291183.db2.gz HYMJRLVHOUFCDM-OLZOCXBDSA-N 1 3 310.442 0.932 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000332088829 415235209 /nfs/dbraw/zinc/23/52/09/415235209.db2.gz KQKSJVMPKDNHBA-BARDWOONSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000332088827 415237304 /nfs/dbraw/zinc/23/73/04/415237304.db2.gz KQKSJVMPKDNHBA-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000422905859 287302937 /nfs/dbraw/zinc/30/29/37/287302937.db2.gz ZOXQMYPIDNUPCP-OUCADQQQSA-N 1 3 308.378 0.872 20 0 DCADHO N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000424362608 287305432 /nfs/dbraw/zinc/30/54/32/287305432.db2.gz ALKGIGQNHGTWMP-IAGOWNOFSA-N 1 3 310.486 0.643 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000343208519 415501992 /nfs/dbraw/zinc/50/19/92/415501992.db2.gz DBPAQZZHTMHGDN-CVEARBPZSA-N 1 3 306.454 0.463 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343103652 415452158 /nfs/dbraw/zinc/45/21/58/415452158.db2.gz DIBHRDTYZJHEOG-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343103652 415452164 /nfs/dbraw/zinc/45/21/64/415452164.db2.gz DIBHRDTYZJHEOG-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343300234 415541738 /nfs/dbraw/zinc/54/17/38/415541738.db2.gz PZCHEWLXJIIQIU-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343300234 415541746 /nfs/dbraw/zinc/54/17/46/415541746.db2.gz PZCHEWLXJIIQIU-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C)[C@@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353669525 415620785 /nfs/dbraw/zinc/62/07/85/415620785.db2.gz UXFSCZLRPZFQLZ-IUODEOHRSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CCCC[C@H]2C[NH3+])CCSC1 ZINC000333398628 415635921 /nfs/dbraw/zinc/63/59/21/415635921.db2.gz PRBPSJPKIFRILU-JSGCOSHPSA-N 1 3 300.472 0.947 20 0 DCADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000353770986 415654279 /nfs/dbraw/zinc/65/42/79/415654279.db2.gz VTJYTRXVUUEMCV-UKRRQHHQSA-N 1 3 307.438 0.970 20 0 DCADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000353770986 415654284 /nfs/dbraw/zinc/65/42/84/415654284.db2.gz VTJYTRXVUUEMCV-UKRRQHHQSA-N 1 3 307.438 0.970 20 0 DCADHO C[C@@H](CNC(=O)NCCN1CC=CCC1)C[NH+]1CCN(C)CC1 ZINC000353890454 415685645 /nfs/dbraw/zinc/68/56/45/415685645.db2.gz BNYSRCXGDKVXLX-INIZCTEOSA-N 1 3 323.485 0.431 20 0 DCADHO CO[C@H](CN)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289949683 415738135 /nfs/dbraw/zinc/73/81/35/415738135.db2.gz MCHMGUXUSMVKJB-HZPDHXFCSA-N 1 3 305.422 0.641 20 0 DCADHO CO[C@H](CN)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289949683 415738140 /nfs/dbraw/zinc/73/81/40/415738140.db2.gz MCHMGUXUSMVKJB-HZPDHXFCSA-N 1 3 305.422 0.641 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C1 ZINC000333923715 415765776 /nfs/dbraw/zinc/76/57/76/415765776.db2.gz SMXWSXBMATXZBG-QMHWVQJVSA-N 1 3 324.469 0.735 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000343897807 415772865 /nfs/dbraw/zinc/77/28/65/415772865.db2.gz XKSOYHPEKUIAON-AWEZNQCLSA-N 1 3 311.426 0.377 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)[C@H]1CCN(C2CC2)C1=O ZINC000336860086 415840569 /nfs/dbraw/zinc/84/05/69/415840569.db2.gz NNVPOSSLDMKERY-INIZCTEOSA-N 1 3 308.470 0.708 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000353518265 287321611 /nfs/dbraw/zinc/32/16/11/287321611.db2.gz NLSLQIOAXJHMCP-XHSDSOJGSA-N 1 3 310.486 0.764 20 0 DCADHO O[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000344026985 415821516 /nfs/dbraw/zinc/82/15/16/415821516.db2.gz KJIZKVAOHFVONU-HWHBYBNPSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2C[N@H+](C/C=C\CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000344026985 415821520 /nfs/dbraw/zinc/82/15/20/415821520.db2.gz KJIZKVAOHFVONU-HWHBYBNPSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2CN(C/C=C\C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000344026985 415821524 /nfs/dbraw/zinc/82/15/24/415821524.db2.gz KJIZKVAOHFVONU-HWHBYBNPSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2CN(C/C=C\C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000344026985 415821527 /nfs/dbraw/zinc/82/15/27/415821527.db2.gz KJIZKVAOHFVONU-HWHBYBNPSA-N 1 3 306.450 0.948 20 0 DCADHO CN1CCN(C)[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294157027 415870782 /nfs/dbraw/zinc/87/07/82/415870782.db2.gz ICAJJZBZECFROB-QGZVFWFLSA-N 1 3 303.454 0.886 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000356221868 415886444 /nfs/dbraw/zinc/88/64/44/415886444.db2.gz INDOIUNOQCZSJN-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000356221868 415886448 /nfs/dbraw/zinc/88/64/48/415886448.db2.gz INDOIUNOQCZSJN-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H]1COCCN1CCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000337187219 415924087 /nfs/dbraw/zinc/92/40/87/415924087.db2.gz PWGIZYZJVDUEHJ-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1COCCN1CCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000337187219 415924093 /nfs/dbraw/zinc/92/40/93/415924093.db2.gz PWGIZYZJVDUEHJ-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1COCCN1CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337187219 415924095 /nfs/dbraw/zinc/92/40/95/415924095.db2.gz PWGIZYZJVDUEHJ-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164271791 416017796 /nfs/dbraw/zinc/01/77/96/416017796.db2.gz GBWWOCXJVDPZQF-HOTGVXAUSA-N 1 3 318.469 0.528 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000164271791 416017800 /nfs/dbraw/zinc/01/78/00/416017800.db2.gz GBWWOCXJVDPZQF-HOTGVXAUSA-N 1 3 318.469 0.528 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000166456519 416021711 /nfs/dbraw/zinc/02/17/11/416021711.db2.gz NHTBSXYGFBGQCP-HNNXBMFYSA-N 1 3 318.421 0.204 20 0 DCADHO OC[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000304804847 416102330 /nfs/dbraw/zinc/10/23/30/416102330.db2.gz QUNNLXYVNSRMDD-IYBDPMFKSA-N 1 3 300.443 0.412 20 0 DCADHO OC[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@H](CO)C2)C1 ZINC000304804847 416102334 /nfs/dbraw/zinc/10/23/34/416102334.db2.gz QUNNLXYVNSRMDD-IYBDPMFKSA-N 1 3 300.443 0.412 20 0 DCADHO OC[C@@H]1CCC[N@@H+](CCOCCN2CCC[C@H](CO)C2)C1 ZINC000304804847 416102338 /nfs/dbraw/zinc/10/23/38/416102338.db2.gz QUNNLXYVNSRMDD-IYBDPMFKSA-N 1 3 300.443 0.412 20 0 DCADHO OC[C@@H]1CCC[N@H+](CCOCCN2CCC[C@H](CO)C2)C1 ZINC000304804847 416102340 /nfs/dbraw/zinc/10/23/40/416102340.db2.gz QUNNLXYVNSRMDD-IYBDPMFKSA-N 1 3 300.443 0.412 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000320382757 416121272 /nfs/dbraw/zinc/12/12/72/416121272.db2.gz RDCZMUXDEHFPOB-KRWDZBQOSA-N 1 3 316.449 0.845 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358142340 416200399 /nfs/dbraw/zinc/20/03/99/416200399.db2.gz QSZLSYVGDLIFBE-WBVHZDCISA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358142340 416200402 /nfs/dbraw/zinc/20/04/02/416200402.db2.gz QSZLSYVGDLIFBE-WBVHZDCISA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000339636114 416160847 /nfs/dbraw/zinc/16/08/47/416160847.db2.gz AYTOTFQLVPESRT-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)CCOc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccn1 ZINC000183246267 416240414 /nfs/dbraw/zinc/24/04/14/416240414.db2.gz OLYFPVIBNRZNRY-MRXNPFEDSA-N 1 3 324.425 0.064 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC000187018783 416258972 /nfs/dbraw/zinc/25/89/72/416258972.db2.gz CVMSATWKLPDRLB-AGIUHOORSA-N 1 3 314.430 0.296 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000358728294 416275447 /nfs/dbraw/zinc/27/54/47/416275447.db2.gz YDASKQZQLSNSNE-NVXWUHKLSA-N 1 3 324.469 0.617 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000358728294 416275450 /nfs/dbraw/zinc/27/54/50/416275450.db2.gz YDASKQZQLSNSNE-NVXWUHKLSA-N 1 3 324.469 0.617 20 0 DCADHO C[C@@H](C(=O)N(C)C1CCN(CCn2cccn2)CC1)[C@H](C)[NH3+] ZINC000192126594 416300085 /nfs/dbraw/zinc/30/00/85/416300085.db2.gz MUEXZIFHGZXSEP-KGLIPLIRSA-N 1 3 307.442 0.789 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N(C)CCN(C)C1CC1)C1CC1 ZINC000359280015 416319360 /nfs/dbraw/zinc/31/93/60/416319360.db2.gz VQHAZPSNMBDEDR-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N(C)CCN(C)C1CC1)C1CC1 ZINC000359280015 416319363 /nfs/dbraw/zinc/31/93/63/416319363.db2.gz VQHAZPSNMBDEDR-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO [NH3+]C[C@@H]1CN(CCC(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000261761877 416335491 /nfs/dbraw/zinc/33/54/91/416335491.db2.gz OBJXRDDBBYWGAP-SJORKVTESA-N 1 3 317.433 0.910 20 0 DCADHO NC[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000261761877 416335492 /nfs/dbraw/zinc/33/54/92/416335492.db2.gz OBJXRDDBBYWGAP-SJORKVTESA-N 1 3 317.433 0.910 20 0 DCADHO NC[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000261761877 416335493 /nfs/dbraw/zinc/33/54/93/416335493.db2.gz OBJXRDDBBYWGAP-SJORKVTESA-N 1 3 317.433 0.910 20 0 DCADHO CCN1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000331513657 416322895 /nfs/dbraw/zinc/32/28/95/416322895.db2.gz IOVYAIWKEDZJBO-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000331513657 416322896 /nfs/dbraw/zinc/32/28/96/416322896.db2.gz IOVYAIWKEDZJBO-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000360125969 416372372 /nfs/dbraw/zinc/37/23/72/416372372.db2.gz REJJBUBXLIVMSE-CQSZACIVSA-N 1 3 302.463 0.935 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000360125969 416372373 /nfs/dbraw/zinc/37/23/73/416372373.db2.gz REJJBUBXLIVMSE-CQSZACIVSA-N 1 3 302.463 0.935 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420019568 416416137 /nfs/dbraw/zinc/41/61/37/416416137.db2.gz RGNMVWRLYYLAJU-RDBSUJKOSA-N 1 3 310.442 0.171 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417566203 416383487 /nfs/dbraw/zinc/38/34/87/416383487.db2.gz MGCPGTXVARCXOP-OWCLPIDISA-N 1 3 324.469 0.785 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418933543 416394264 /nfs/dbraw/zinc/39/42/64/416394264.db2.gz IKSXJZXHYLYIEV-XQLPTFJDSA-N 1 3 324.469 0.419 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419288233 416398640 /nfs/dbraw/zinc/39/86/40/416398640.db2.gz RMJXKYDOWOBKES-UHFFFAOYSA-N 1 3 300.447 0.278 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419783335 416411117 /nfs/dbraw/zinc/41/11/17/416411117.db2.gz VLQHYXIMFYVUII-MJBXVCDLSA-N 1 3 324.469 0.419 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419785501 416411660 /nfs/dbraw/zinc/41/16/60/416411660.db2.gz ZDCQXKXHXBLQSK-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000423236913 416480180 /nfs/dbraw/zinc/48/01/80/416480180.db2.gz PENCXDQGXDJYJL-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CC(C)(C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000458609983 416486126 /nfs/dbraw/zinc/48/61/26/416486126.db2.gz ZLQPKOJFBWKRSH-UHFFFAOYSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)[N@H+](C)C1CC1 ZINC000422309532 416425806 /nfs/dbraw/zinc/42/58/06/416425806.db2.gz UBLPLYCLOCQUQB-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)[N@@H+](C)C1CC1 ZINC000422309532 416425807 /nfs/dbraw/zinc/42/58/07/416425807.db2.gz UBLPLYCLOCQUQB-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@H](C)C1 ZINC000361229216 416426816 /nfs/dbraw/zinc/42/68/16/416426816.db2.gz LYFUSKHIHQDJHZ-OAGGEKHMSA-N 1 3 301.475 0.636 20 0 DCADHO O=C(C1CCC1)N1CCN(CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000422954421 416450339 /nfs/dbraw/zinc/45/03/39/416450339.db2.gz IQMRCPOCFCNUAK-MRXNPFEDSA-N 1 3 308.470 0.662 20 0 DCADHO CN1CCC(n2ccc(NC(=O)NC3(C[NH3+])CCCC3)n2)CC1 ZINC000583310347 416460854 /nfs/dbraw/zinc/46/08/54/416460854.db2.gz MQIPUDPVHONEMX-UHFFFAOYSA-N 1 3 320.441 1.543 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423618704 416529341 /nfs/dbraw/zinc/52/93/41/416529341.db2.gz HPHBZHVKRUYFAY-ZIAGYGMSSA-N 1 3 310.442 0.269 20 0 DCADHO CCCN(C(=O)C(=O)N(C)CCN(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000423670059 416539233 /nfs/dbraw/zinc/53/92/33/416539233.db2.gz YVGWCJVLTCKFLH-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000423721108 416548268 /nfs/dbraw/zinc/54/82/68/416548268.db2.gz OMZFTAJENWPRMH-ZDUSSCGKSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC1 ZINC000423740281 416554275 /nfs/dbraw/zinc/55/42/75/416554275.db2.gz SBCJFNYZLHXGRP-ZFWWWQNUSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C)[C@]1(CNC(=O)C[C@@H]2CSCC[NH2+]2)CCSC1 ZINC000434870725 416501515 /nfs/dbraw/zinc/50/15/15/416501515.db2.gz TVYPRIKZLDDDOO-YPMHNXCESA-N 1 3 303.497 0.635 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423523562 416520806 /nfs/dbraw/zinc/52/08/06/416520806.db2.gz YRUATZYPROEJOA-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[C@@H]2OCCN(C(=O)[C@@H](C[NH3+])c3ccccc3)[C@@H]2C1 ZINC000423930295 416593414 /nfs/dbraw/zinc/59/34/14/416593414.db2.gz KFIBELFRSUGGNH-XHSDSOJGSA-N 1 3 303.406 0.660 20 0 DCADHO CC1CCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424133957 416614758 /nfs/dbraw/zinc/61/47/58/416614758.db2.gz MZYALFXTFKOXMG-AWEZNQCLSA-N 1 3 320.441 0.664 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000438706101 416602128 /nfs/dbraw/zinc/60/21/28/416602128.db2.gz YWUXMHWLTAELTA-UHFFFAOYSA-N 1 3 310.446 1.298 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000438706101 416602132 /nfs/dbraw/zinc/60/21/32/416602132.db2.gz YWUXMHWLTAELTA-UHFFFAOYSA-N 1 3 310.446 1.298 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000424156720 416620663 /nfs/dbraw/zinc/62/06/63/416620663.db2.gz PYVBDOHMAHMUJO-LSDHHAIUSA-N 1 3 303.410 0.057 20 0 DCADHO C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCCCCC1 ZINC000424226181 416628990 /nfs/dbraw/zinc/62/89/90/416628990.db2.gz OEXMFZQGVAWKKC-VNQPRFMTSA-N 1 3 319.453 0.938 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000424453492 416646508 /nfs/dbraw/zinc/64/65/08/416646508.db2.gz KFCRDUQBXMPBHQ-GFCCVEGCSA-N 1 3 318.421 0.991 20 0 DCADHO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424472708 416652288 /nfs/dbraw/zinc/65/22/88/416652288.db2.gz VLCTYPCAVNULMQ-UHFFFAOYSA-N 1 3 322.409 0.135 20 0 DCADHO COCCN1CC[C@@H](NC(=O)C[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000516865139 416748168 /nfs/dbraw/zinc/74/81/68/416748168.db2.gz QFZPLOXLXABTFE-JKSUJKDBSA-N 1 3 305.422 0.783 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425687965 416721779 /nfs/dbraw/zinc/72/17/79/416721779.db2.gz WFCVEZIJEIHVKD-SOUVJXGZSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425687965 416721783 /nfs/dbraw/zinc/72/17/83/416721783.db2.gz WFCVEZIJEIHVKD-SOUVJXGZSA-N 1 3 310.442 0.443 20 0 DCADHO COCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CC[NH2+]CC1 ZINC000369113371 416726729 /nfs/dbraw/zinc/72/67/29/416726729.db2.gz RGQSFZQUTTZZKX-JKSUJKDBSA-N 1 3 317.433 0.956 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369174342 416729645 /nfs/dbraw/zinc/72/96/45/416729645.db2.gz NSAHTXGVGXYJLV-NVXWUHKLSA-N 1 3 308.470 0.520 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000443231473 416738957 /nfs/dbraw/zinc/73/89/57/416738957.db2.gz NFLNYTRIJSFMGN-ZIAGYGMSSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000631859653 416769483 /nfs/dbraw/zinc/76/94/83/416769483.db2.gz BVPKXJYJMGGCQV-KBMXLJTQSA-N 1 3 304.438 0.827 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000631943428 416821559 /nfs/dbraw/zinc/82/15/59/416821559.db2.gz WLEQXJJPAGCODT-KGLIPLIRSA-N 1 3 303.472 0.874 20 0 DCADHO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000428041843 416867243 /nfs/dbraw/zinc/86/72/43/416867243.db2.gz SGQMACXGEWBHOF-BBRMVZONSA-N 1 3 306.454 0.413 20 0 DCADHO CCCN1C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000518720776 416870653 /nfs/dbraw/zinc/87/06/53/416870653.db2.gz YZTFQEMEYBBPLE-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO CC[NH+](CC)Cc1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000623813352 416901033 /nfs/dbraw/zinc/90/10/33/416901033.db2.gz JXCFITFWAYXHNW-UHFFFAOYSA-N 1 3 301.398 0.573 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000624383012 417022043 /nfs/dbraw/zinc/02/20/43/417022043.db2.gz WUDNWLKFLGZZEW-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000624383012 417022051 /nfs/dbraw/zinc/02/20/51/417022051.db2.gz WUDNWLKFLGZZEW-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])c1ccccc1 ZINC000642098617 417026807 /nfs/dbraw/zinc/02/68/07/417026807.db2.gz NRJHMHHIXWOGGL-DZGCQCFKSA-N 1 3 320.437 0.649 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H]3O)CC2)CC1 ZINC000565431181 416978192 /nfs/dbraw/zinc/97/81/92/416978192.db2.gz HXEXBLQBVYLHNC-HZPDHXFCSA-N 1 3 309.454 0.822 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000520986693 416984815 /nfs/dbraw/zinc/98/48/15/416984815.db2.gz ALZXHLMPOCPANV-GJZGRUSLSA-N 1 3 312.458 0.473 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000522138273 417051122 /nfs/dbraw/zinc/05/11/22/417051122.db2.gz WWTJVEQTPIWMAX-MRXNPFEDSA-N 1 3 308.470 0.424 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000522138273 417051128 /nfs/dbraw/zinc/05/11/28/417051128.db2.gz WWTJVEQTPIWMAX-MRXNPFEDSA-N 1 3 308.470 0.424 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000642439462 417052013 /nfs/dbraw/zinc/05/20/13/417052013.db2.gz HRSIIRFXQRAAOG-ROKHWSDSSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000642440033 417054826 /nfs/dbraw/zinc/05/48/26/417054826.db2.gz WDCLOLKWBMBIEF-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000642440034 417054859 /nfs/dbraw/zinc/05/48/59/417054859.db2.gz WDCLOLKWBMBIEF-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCC(=O)Nc1ccc(C(N)=O)cc1)C1CC[NH2+]CC1 ZINC000430669246 417059432 /nfs/dbraw/zinc/05/94/32/417059432.db2.gz SWHSRYWVOJTFDD-UHFFFAOYSA-N 1 3 304.394 0.798 20 0 DCADHO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1CCNCC1 ZINC000430669246 417059444 /nfs/dbraw/zinc/05/94/44/417059444.db2.gz SWHSRYWVOJTFDD-UHFFFAOYSA-N 1 3 304.394 0.798 20 0 DCADHO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1CCNCC1 ZINC000430669246 417059451 /nfs/dbraw/zinc/05/94/51/417059451.db2.gz SWHSRYWVOJTFDD-UHFFFAOYSA-N 1 3 304.394 0.798 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CCC(C)CC1 ZINC000642644539 417066520 /nfs/dbraw/zinc/06/65/20/417066520.db2.gz ZKGPWEDBKJKYNS-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000430784508 417066610 /nfs/dbraw/zinc/06/66/10/417066610.db2.gz HMBONTHDMZIDNL-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430865463 417073773 /nfs/dbraw/zinc/07/37/73/417073773.db2.gz CUTKTLISQKKXPQ-LBPRGKRZSA-N 1 3 318.421 0.712 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCN1 ZINC000642718117 417079223 /nfs/dbraw/zinc/07/92/23/417079223.db2.gz IHYFTZHZPPHQAL-KCQAQPDRSA-N 1 3 322.453 0.184 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCN1 ZINC000642718117 417079227 /nfs/dbraw/zinc/07/92/27/417079227.db2.gz IHYFTZHZPPHQAL-KCQAQPDRSA-N 1 3 322.453 0.184 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1O ZINC000637369564 417080361 /nfs/dbraw/zinc/08/03/61/417080361.db2.gz ZJNXOZCTEMDIJH-PMPSAXMXSA-N 1 3 324.469 0.710 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1O ZINC000637369564 417080369 /nfs/dbraw/zinc/08/03/69/417080369.db2.gz ZJNXOZCTEMDIJH-PMPSAXMXSA-N 1 3 324.469 0.710 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CCN1 ZINC000642718480 417081515 /nfs/dbraw/zinc/08/15/15/417081515.db2.gz CUQIDBBBEXXDOX-YUELXQCFSA-N 1 3 322.453 0.042 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CCN1 ZINC000642718480 417081520 /nfs/dbraw/zinc/08/15/20/417081520.db2.gz CUQIDBBBEXXDOX-YUELXQCFSA-N 1 3 322.453 0.042 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642733302 417084964 /nfs/dbraw/zinc/08/49/64/417084964.db2.gz DDFNSBDQQRLFRL-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642773393 417094607 /nfs/dbraw/zinc/09/46/07/417094607.db2.gz VOJQMOKRFZOPBA-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1cnn(C)c1 ZINC000524931422 417123508 /nfs/dbraw/zinc/12/35/08/417123508.db2.gz HSOYVWIKCQEYKE-UHFFFAOYSA-N 1 3 324.473 0.488 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])N1CCN(C)CC1 ZINC000405373741 417124573 /nfs/dbraw/zinc/12/45/73/417124573.db2.gz KTITYCFWWOSMFC-XHSDSOJGSA-N 1 3 310.486 0.892 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCC[C@H](C)C1 ZINC000642918843 417124828 /nfs/dbraw/zinc/12/48/28/417124828.db2.gz DYOKBKBUYFQEGO-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642910567 417121842 /nfs/dbraw/zinc/12/18/42/417121842.db2.gz JBSMVLLBZHCPCP-HIFRSBDPSA-N 1 3 318.421 0.183 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430715054 287349594 /nfs/dbraw/zinc/34/95/94/287349594.db2.gz QXSWUOKPFBSTGG-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000525302453 417138059 /nfs/dbraw/zinc/13/80/59/417138059.db2.gz ZOGOZGBEOUDBDO-CYBMUJFWSA-N 1 3 310.446 0.616 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000642985919 417138323 /nfs/dbraw/zinc/13/83/23/417138323.db2.gz PVMPVGNVLKLSHD-APIJFGDWSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1nn(C)c(C)c1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525820301 417154821 /nfs/dbraw/zinc/15/48/21/417154821.db2.gz USTAAHDLSWOXNA-UHFFFAOYSA-N 1 3 324.473 0.672 20 0 DCADHO O=C(COC1CNC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000449644679 417156919 /nfs/dbraw/zinc/15/69/19/417156919.db2.gz GCNPOEATBUPHIR-CJNGLKHVSA-N 1 3 321.396 0.623 20 0 DCADHO C[NH2+]CC1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000637838401 417202663 /nfs/dbraw/zinc/20/26/63/417202663.db2.gz VWFTYXAWQBWXMT-QGZVFWFLSA-N 1 3 318.465 0.904 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637845310 417204603 /nfs/dbraw/zinc/20/46/03/417204603.db2.gz WKCVWINULWFULT-LLVKDONJSA-N 1 3 319.409 0.723 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000569101569 417212493 /nfs/dbraw/zinc/21/24/93/417212493.db2.gz XQWXXFUDGMSIDZ-INIZCTEOSA-N 1 3 320.437 0.791 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000643513877 417230528 /nfs/dbraw/zinc/23/05/28/417230528.db2.gz FIZDOGKVKABRPM-LJISPDSOSA-N 1 3 322.453 0.125 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000643500349 417226920 /nfs/dbraw/zinc/22/69/20/417226920.db2.gz HXSAIZVQUCHJOU-SOUVJXGZSA-N 1 3 322.453 0.125 20 0 DCADHO CN(C)C[C@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000569573769 417267514 /nfs/dbraw/zinc/26/75/14/417267514.db2.gz XBJDIOAZGQTSRC-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000637986587 417268804 /nfs/dbraw/zinc/26/88/04/417268804.db2.gz VQNGNKHTQQCRBC-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000621107807 417277708 /nfs/dbraw/zinc/27/77/08/417277708.db2.gz MTNYSRVAGPRWPX-SJORKVTESA-N 1 3 320.481 0.615 20 0 DCADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000621107807 417277716 /nfs/dbraw/zinc/27/77/16/417277716.db2.gz MTNYSRVAGPRWPX-SJORKVTESA-N 1 3 320.481 0.615 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627112444 417232937 /nfs/dbraw/zinc/23/29/37/417232937.db2.gz MENTUAATTONGFG-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CCN(C2CC2)C1 ZINC000627148932 417247327 /nfs/dbraw/zinc/24/73/27/417247327.db2.gz PETQSMWVCIOAJQ-ZDUSSCGKSA-N 1 3 310.442 0.620 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000643593070 417249280 /nfs/dbraw/zinc/24/92/80/417249280.db2.gz LOZADFCDLMSBTI-KFWWJZLASA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433387709 417264577 /nfs/dbraw/zinc/26/45/77/417264577.db2.gz RUAYXNPNKWMXJG-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C1 ZINC000638140497 417351806 /nfs/dbraw/zinc/35/18/06/417351806.db2.gz JURXBZVGNCTIBK-CABCVRRESA-N 1 3 309.458 0.145 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000627328589 417353981 /nfs/dbraw/zinc/35/39/81/417353981.db2.gz HACUJFCZIOIXCG-CQSZACIVSA-N 1 3 312.458 0.278 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000627328589 417353986 /nfs/dbraw/zinc/35/39/86/417353986.db2.gz HACUJFCZIOIXCG-CQSZACIVSA-N 1 3 312.458 0.278 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)ccc1CN(C)C ZINC000415290046 417357101 /nfs/dbraw/zinc/35/71/01/417357101.db2.gz BNDCEKLPOXYKLK-CYBMUJFWSA-N 1 3 304.394 0.555 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638159527 417360106 /nfs/dbraw/zinc/36/01/06/417360106.db2.gz XUOCALZWJIVMFW-CWRNSKLLSA-N 1 3 304.438 0.641 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638172638 417362547 /nfs/dbraw/zinc/36/25/47/417362547.db2.gz XCCFILXJLQBJNS-FUHWJXTLSA-N 1 3 316.449 0.658 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000414916299 417312289 /nfs/dbraw/zinc/31/22/89/417312289.db2.gz SARAVPITVOEYBZ-HNNXBMFYSA-N 1 3 318.421 0.897 20 0 DCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000638076481 417315167 /nfs/dbraw/zinc/31/51/67/417315167.db2.gz QFAJLLZRUCJXOT-MRXNPFEDSA-N 1 3 304.438 0.181 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621843741 417319103 /nfs/dbraw/zinc/31/91/03/417319103.db2.gz KRPNGPRHDNLPBR-JKIFEVAISA-N 1 3 322.453 0.174 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C1=CCN(C)CC1 ZINC000621843720 417320030 /nfs/dbraw/zinc/32/00/30/417320030.db2.gz KLYJZFCZNYYRAZ-JDFRZJQESA-N 1 3 320.437 0.093 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627268665 417321330 /nfs/dbraw/zinc/32/13/30/417321330.db2.gz GRUBNCSCJVHRQG-IAGOWNOFSA-N 1 3 321.465 0.918 20 0 DCADHO O=C(CN1CCNCC1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000638116740 417338645 /nfs/dbraw/zinc/33/86/45/417338645.db2.gz LTMAAZMLLRTPBB-UHFFFAOYSA-N 1 3 324.469 0.043 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638234082 417387865 /nfs/dbraw/zinc/38/78/65/417387865.db2.gz XPWWVKFYWMQEKI-MUIFIZLQSA-N 1 3 318.465 0.948 20 0 DCADHO COCCN(CC[NH+](C)C)C(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000638278984 417402623 /nfs/dbraw/zinc/40/26/23/417402623.db2.gz WXKKCSRHHWBVRD-INIZCTEOSA-N 1 3 323.437 0.602 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622026246 417369710 /nfs/dbraw/zinc/36/97/10/417369710.db2.gz HNVLECOLKGNMTG-YOEHRIQHSA-N 1 3 322.453 0.269 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638202070 417371735 /nfs/dbraw/zinc/37/17/35/417371735.db2.gz ZCEILBOXGGHBET-KBPBESRZSA-N 1 3 301.431 0.357 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638201544 417373283 /nfs/dbraw/zinc/37/32/83/417373283.db2.gz MNOPKLCHBCBGQQ-IKGGRYGDSA-N 1 3 316.449 0.656 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638540843 417487500 /nfs/dbraw/zinc/48/75/00/417487500.db2.gz AQOXKKYGBHHFBL-HNNXBMFYSA-N 1 3 320.437 0.070 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CCOC2CNC2)CC[C@H]1C(F)(F)F ZINC000638556485 417488863 /nfs/dbraw/zinc/48/88/63/417488863.db2.gz LFJNGNAMVYSMBI-MWLCHTKSSA-N 1 3 309.332 0.351 20 0 DCADHO C[C@@H]1C[C@@H](C)N(C(=O)c2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000638356308 417434206 /nfs/dbraw/zinc/43/42/06/417434206.db2.gz GIDZLZCTIUGMMX-MGPQQGTHSA-N 1 3 307.442 0.890 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000638395052 417440476 /nfs/dbraw/zinc/44/04/76/417440476.db2.gz PTPXFGJCCGRXCG-BBWFWOEESA-N 1 3 318.465 0.902 20 0 DCADHO O=C(CCC1C[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000638405178 417446095 /nfs/dbraw/zinc/44/60/95/417446095.db2.gz ABQWRSKIKRGOHB-KRWDZBQOSA-N 1 3 317.433 0.869 20 0 DCADHO CC[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000638406256 417447904 /nfs/dbraw/zinc/44/79/04/417447904.db2.gz JWVILLOAPOEMSW-BBRMVZONSA-N 1 3 305.422 0.867 20 0 DCADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638414702 417449092 /nfs/dbraw/zinc/44/90/92/417449092.db2.gz BFUGKJVAOLWZSS-IXDOHACOSA-N 1 3 317.433 0.878 20 0 DCADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638414702 417449098 /nfs/dbraw/zinc/44/90/98/417449098.db2.gz BFUGKJVAOLWZSS-IXDOHACOSA-N 1 3 317.433 0.878 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)N(C)CCOCC[NH3+] ZINC000638675062 417529627 /nfs/dbraw/zinc/52/96/27/417529627.db2.gz ANCQJPYDWGRVTH-UHFFFAOYSA-N 1 3 309.410 0.674 20 0 DCADHO O[C@H](C[NH2+]CCn1ccc(C(F)(F)F)n1)CN1CCCC1 ZINC000634731218 417540039 /nfs/dbraw/zinc/54/00/39/417540039.db2.gz LJPAIYYDIFUGNN-LLVKDONJSA-N 1 3 306.332 0.948 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCCC[C@H]([NH3+])C2)CC1=O ZINC000638818635 417562265 /nfs/dbraw/zinc/56/22/65/417562265.db2.gz CZJRTMNFKRRRIY-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)N(C)CCOCC[NH2+]C)C1(C)C ZINC000638593035 417499053 /nfs/dbraw/zinc/49/90/53/417499053.db2.gz ZONOLBHLFIMQOL-WFASDCNBSA-N 1 3 301.431 0.213 20 0 DCADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638985401 417596195 /nfs/dbraw/zinc/59/61/95/417596195.db2.gz GEQPMBYEGXGXIM-XJKSGUPXSA-N 1 3 319.409 0.197 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638986135 417598306 /nfs/dbraw/zinc/59/83/06/417598306.db2.gz VYCBGSGQMAGTFI-YOEHRIQHSA-N 1 3 315.421 0.819 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000531290940 417614290 /nfs/dbraw/zinc/61/42/90/417614290.db2.gz IRKWMLWZSDTCLM-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000531290940 417614298 /nfs/dbraw/zinc/61/42/98/417614298.db2.gz IRKWMLWZSDTCLM-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)OCC[C@@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644562024 417619560 /nfs/dbraw/zinc/61/95/60/417619560.db2.gz OPMBMQQSEDMCCU-DOTOQJQBSA-N 1 3 313.486 0.921 20 0 DCADHO CNC(=O)c1cccc(CCNC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000644572630 417620992 /nfs/dbraw/zinc/62/09/92/417620992.db2.gz SOPWGNLQOHEXDO-INIZCTEOSA-N 1 3 305.422 0.633 20 0 DCADHO CNC(=O)c1cccc(CCNC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000644572630 417620995 /nfs/dbraw/zinc/62/09/95/417620995.db2.gz SOPWGNLQOHEXDO-INIZCTEOSA-N 1 3 305.422 0.633 20 0 DCADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000644639752 417636272 /nfs/dbraw/zinc/63/62/72/417636272.db2.gz XTYPVIZFRBENQD-GJZGRUSLSA-N 1 3 317.474 0.014 20 0 DCADHO C[C@@H]1CN(C[C@H]2CCc3ncnn32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000639553083 417693207 /nfs/dbraw/zinc/69/32/07/417693207.db2.gz KILHNWKXYNBSKP-BZUAXINKSA-N 1 3 318.469 0.723 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000635542013 417694749 /nfs/dbraw/zinc/69/47/49/417694749.db2.gz UTOGNNMTHDEKDP-UHFFFAOYSA-N 1 3 315.458 0.524 20 0 DCADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC000531832236 417643650 /nfs/dbraw/zinc/64/36/50/417643650.db2.gz DVUWOXURLJWTPQ-HZPDHXFCSA-N 1 3 308.470 0.708 20 0 DCADHO CO[C@H](C[NH3+])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000580440407 417701890 /nfs/dbraw/zinc/70/18/90/417701890.db2.gz UWFVFVKKGDQCRM-OAHLLOKOSA-N 1 3 306.410 0.346 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639875803 417760722 /nfs/dbraw/zinc/76/07/22/417760722.db2.gz BBYDLNUQLBBYLD-CVEARBPZSA-N 1 3 313.486 0.874 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639875803 417760725 /nfs/dbraw/zinc/76/07/25/417760725.db2.gz BBYDLNUQLBBYLD-CVEARBPZSA-N 1 3 313.486 0.874 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580569057 417713865 /nfs/dbraw/zinc/71/38/65/417713865.db2.gz YPDIDQZYOYYFEQ-DOMZBBRYSA-N 1 3 305.426 0.657 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000635663552 417735094 /nfs/dbraw/zinc/73/50/94/417735094.db2.gz HEHQDMWIWMZAAJ-RBSFLKMASA-N 1 3 313.442 0.323 20 0 DCADHO COCC[NH2+]CCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000640337357 417832408 /nfs/dbraw/zinc/83/24/08/417832408.db2.gz CNIMFPQIHMIHOL-UHFFFAOYSA-N 1 3 307.398 0.149 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCN1 ZINC000646329627 417834203 /nfs/dbraw/zinc/83/42/03/417834203.db2.gz PODVAOMNOYSXEC-QWHCGFSZSA-N 1 3 306.414 0.273 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)CN1C1CC1 ZINC000662539983 417799016 /nfs/dbraw/zinc/79/90/16/417799016.db2.gz QCOWIHZTCDXDSH-VXGBXAGGSA-N 1 3 318.425 0.558 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000646213140 417808617 /nfs/dbraw/zinc/80/86/17/417808617.db2.gz CKYZQGDIQZEGPB-KKUMJFAQSA-N 1 3 311.474 0.534 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000646011960 417847932 /nfs/dbraw/zinc/84/79/32/417847932.db2.gz CPMNULNVDCMVBG-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662707084 417864409 /nfs/dbraw/zinc/86/44/09/417864409.db2.gz BWSXFVWPJDOVPN-BFYDXBDKSA-N 1 3 307.438 0.746 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662712138 417865234 /nfs/dbraw/zinc/86/52/34/417865234.db2.gz RILVADPZFQEREU-YPMHNXCESA-N 1 3 323.359 0.755 20 0 DCADHO COCCCN(C)CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662742205 417881903 /nfs/dbraw/zinc/88/19/03/417881903.db2.gz BIDWNJVWRMCQGY-GFCCVEGCSA-N 1 3 311.348 0.613 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(NC4CC4)CCC3)CC2)C1 ZINC000662756637 417892453 /nfs/dbraw/zinc/89/24/53/417892453.db2.gz JAQKNGHMBFTPEU-MRXNPFEDSA-N 1 3 320.481 0.900 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(NC4CC4)CCC3)CC2)C1 ZINC000662756637 417892459 /nfs/dbraw/zinc/89/24/59/417892459.db2.gz JAQKNGHMBFTPEU-MRXNPFEDSA-N 1 3 320.481 0.900 20 0 DCADHO CC1(C)CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCN1 ZINC000662783166 417901107 /nfs/dbraw/zinc/90/11/07/417901107.db2.gz JKJMBBXBJMSNEL-LBPRGKRZSA-N 1 3 306.414 0.417 20 0 DCADHO CN(C)CCN(C)C(=O)[C@@H]1CC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000631598583 417904187 /nfs/dbraw/zinc/90/41/87/417904187.db2.gz DJAVSXXCPPIVHD-ZIAGYGMSSA-N 1 3 312.458 0.053 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662673272 417846089 /nfs/dbraw/zinc/84/60/89/417846089.db2.gz IWDWKQQUVCGQMB-LSDHHAIUSA-N 1 3 307.394 0.929 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662674644 417846768 /nfs/dbraw/zinc/84/67/68/417846768.db2.gz DVEAOZZBXJUKFW-CVEARBPZSA-N 1 3 321.421 0.607 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC1=O ZINC000663009591 417976889 /nfs/dbraw/zinc/97/68/89/417976889.db2.gz FWAXQRHGHPAOLJ-JJRVBVJISA-N 1 3 322.453 0.187 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000652473461 417917085 /nfs/dbraw/zinc/91/70/85/417917085.db2.gz PCHSNFMYESUMKB-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000652473461 417917091 /nfs/dbraw/zinc/91/70/91/417917091.db2.gz PCHSNFMYESUMKB-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000662852127 417925540 /nfs/dbraw/zinc/92/55/40/417925540.db2.gz HXSNESSIAVXSOD-AWEZNQCLSA-N 1 3 319.453 0.951 20 0 DCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858637 417928224 /nfs/dbraw/zinc/92/82/24/417928224.db2.gz HAWIPMKTUAPVHZ-HEHGZKQESA-N 1 3 305.422 0.853 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631771022 417937031 /nfs/dbraw/zinc/93/70/31/417937031.db2.gz QRHOTHWDHXYGQA-WFASDCNBSA-N 1 3 305.426 0.657 20 0 DCADHO CN(C(=O)[C@@H]1CSCN1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899774 417942560 /nfs/dbraw/zinc/94/25/60/417942560.db2.gz GRGFEOHTRUSSFT-KBPBESRZSA-N 1 3 312.483 0.276 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652682777 417944832 /nfs/dbraw/zinc/94/48/32/417944832.db2.gz UUMQOSMXSYFNMT-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652703223 417949529 /nfs/dbraw/zinc/94/95/29/417949529.db2.gz NEFKFOJFMYPVOL-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724840 417957173 /nfs/dbraw/zinc/95/71/73/417957173.db2.gz NYKVKUHROREJLB-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662937334 417957803 /nfs/dbraw/zinc/95/78/03/417957803.db2.gz GPSJCBBQJQULJK-UHFFFAOYSA-N 1 3 314.474 0.763 20 0 DCADHO CCC[C@H](N)c1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641005228 417958529 /nfs/dbraw/zinc/95/85/29/417958529.db2.gz VJMBEDWEHHBMMU-AWEZNQCLSA-N 1 3 320.441 0.821 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)[C@@H]1C[NH3+] ZINC000652732566 417959748 /nfs/dbraw/zinc/95/97/48/417959748.db2.gz NXCROWPCNGNXMA-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)[C@H](N)c1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641048138 417965652 /nfs/dbraw/zinc/96/56/52/417965652.db2.gz XRRJEBSUAPQDEG-INIZCTEOSA-N 1 3 322.457 0.923 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653125399 418034282 /nfs/dbraw/zinc/03/42/82/418034282.db2.gz YFQMGBIHWKEQHY-HZPDHXFCSA-N 1 3 310.486 0.766 20 0 DCADHO CN(C)CCN(Cc1ccccc1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653148011 418036249 /nfs/dbraw/zinc/03/62/49/418036249.db2.gz KNKSEFWFUKECMI-INIZCTEOSA-N 1 3 306.454 0.856 20 0 DCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653149058 418037798 /nfs/dbraw/zinc/03/77/98/418037798.db2.gz VEOWAVYLIRYHHY-INIZCTEOSA-N 1 3 324.444 0.995 20 0 DCADHO CC1(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CNC1 ZINC000648168019 418110935 /nfs/dbraw/zinc/11/09/35/418110935.db2.gz NEEPIMRKMOZNRX-UKRRQHHQSA-N 1 3 307.438 0.840 20 0 DCADHO CC1(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CNC1 ZINC000648168019 418110939 /nfs/dbraw/zinc/11/09/39/418110939.db2.gz NEEPIMRKMOZNRX-UKRRQHHQSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659556071 418119354 /nfs/dbraw/zinc/11/93/54/418119354.db2.gz VRFDGMKBGFFSQB-HUUCEWRRSA-N 1 3 310.442 0.396 20 0 DCADHO CC1(OCC(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CNC1 ZINC000648178037 418114072 /nfs/dbraw/zinc/11/40/72/418114072.db2.gz LJHWVNQANJKORS-UONOGXRCSA-N 1 3 311.426 0.110 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659552145 418117880 /nfs/dbraw/zinc/11/78/80/418117880.db2.gz DJRSRKDZEJSSIK-DZGCQCFKSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659552145 418117881 /nfs/dbraw/zinc/11/78/81/418117881.db2.gz DJRSRKDZEJSSIK-DZGCQCFKSA-N 1 3 310.442 0.681 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659101610 418059868 /nfs/dbraw/zinc/05/98/68/418059868.db2.gz DNMCRTMUCLPTNR-UHFFFAOYSA-N 1 3 316.405 0.636 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000659113946 418063715 /nfs/dbraw/zinc/06/37/15/418063715.db2.gz ZYQIFRRJQKUZCR-LBPRGKRZSA-N 1 3 306.410 0.719 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)[N@H+](C)C1CC1 ZINC000653389593 418067659 /nfs/dbraw/zinc/06/76/59/418067659.db2.gz FXZCZKJTDZPMDQ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCN1CCCCC1)[N@@H+](C)C1CC1 ZINC000653389593 418067662 /nfs/dbraw/zinc/06/76/62/418067662.db2.gz FXZCZKJTDZPMDQ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C(CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)N1CC[NH2+]CC1 ZINC000647988385 418083700 /nfs/dbraw/zinc/08/37/00/418083700.db2.gz CBFVISKNLUBAAG-AWEZNQCLSA-N 1 3 304.442 0.767 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(C[NH3+])cc1 ZINC000659359269 418087017 /nfs/dbraw/zinc/08/70/17/418087017.db2.gz XXKUHSKKYVRORD-UHFFFAOYSA-N 1 3 306.410 0.237 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659506266 418107635 /nfs/dbraw/zinc/10/76/35/418107635.db2.gz NIHHGQANJAKABW-HNNXBMFYSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)CN1 ZINC000659608087 418125964 /nfs/dbraw/zinc/12/59/64/418125964.db2.gz KFOLRLFOHPZBKK-VNHYZAJKSA-N 1 3 310.442 0.632 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659621194 418129851 /nfs/dbraw/zinc/12/98/51/418129851.db2.gz YYFOIKMKFSQPHJ-CYBMUJFWSA-N 1 3 315.462 0.021 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630602 418131867 /nfs/dbraw/zinc/13/18/67/418131867.db2.gz RZGMVJHOURZYQV-GFCCVEGCSA-N 1 3 322.413 0.265 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630602 418131870 /nfs/dbraw/zinc/13/18/70/418131870.db2.gz RZGMVJHOURZYQV-GFCCVEGCSA-N 1 3 322.413 0.265 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000654708677 418178731 /nfs/dbraw/zinc/17/87/31/418178731.db2.gz HIMPMLZCNCULKX-HNNXBMFYSA-N 1 3 322.453 0.095 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000654708677 418178734 /nfs/dbraw/zinc/17/87/34/418178734.db2.gz HIMPMLZCNCULKX-HNNXBMFYSA-N 1 3 322.453 0.095 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654421306 418142492 /nfs/dbraw/zinc/14/24/92/418142492.db2.gz AMAWINGUSSWNST-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654421306 418142494 /nfs/dbraw/zinc/14/24/94/418142494.db2.gz AMAWINGUSSWNST-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659680787 418143860 /nfs/dbraw/zinc/14/38/60/418143860.db2.gz KZHVFGQHBACBCS-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659686170 418146189 /nfs/dbraw/zinc/14/61/89/418146189.db2.gz WMWDIOSJUKDFID-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N(C)C1CC1 ZINC000659701919 418152596 /nfs/dbraw/zinc/15/25/96/418152596.db2.gz KATIIAWLRWNZBK-BZPMIXESSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654486848 418152697 /nfs/dbraw/zinc/15/26/97/418152697.db2.gz XKOHCPCPWDZRQW-HRCADAONSA-N 1 3 324.469 0.425 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654486848 418152702 /nfs/dbraw/zinc/15/27/02/418152702.db2.gz XKOHCPCPWDZRQW-HRCADAONSA-N 1 3 324.469 0.425 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659713050 418158525 /nfs/dbraw/zinc/15/85/25/418158525.db2.gz OXOSZNATEDYFHT-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659716659 418159198 /nfs/dbraw/zinc/15/91/98/418159198.db2.gz BPCFTNZJMBBFGI-STQMWFEESA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000659719721 418161699 /nfs/dbraw/zinc/16/16/99/418161699.db2.gz LEZDZZYAQPZHKC-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659721849 418162711 /nfs/dbraw/zinc/16/27/11/418162711.db2.gz LEHASLYHEXSLDE-FRRDWIJNSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000659723444 418163666 /nfs/dbraw/zinc/16/36/66/418163666.db2.gz MSVXNKMATHCDNW-SUMWQHHRSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000659726185 418164620 /nfs/dbraw/zinc/16/46/20/418164620.db2.gz HWLFVQFFUPTXAT-YRTQGLMCSA-N 1 3 320.437 0.069 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)[C@H](CN)C1 ZINC000659729724 418166638 /nfs/dbraw/zinc/16/66/38/418166638.db2.gz UCAOJDBQIATLPL-URGYJCLVSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000659730520 418167289 /nfs/dbraw/zinc/16/72/89/418167289.db2.gz XQGAZASHNGTMMC-AGIUHOORSA-N 1 3 310.442 0.219 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)C1 ZINC000659738700 418170840 /nfs/dbraw/zinc/17/08/40/418170840.db2.gz INIYZFMABUPFHT-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000659738694 418171142 /nfs/dbraw/zinc/17/11/42/418171142.db2.gz IMZFAGOHZRJDRP-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])C1 ZINC000659739469 418172078 /nfs/dbraw/zinc/17/20/78/418172078.db2.gz VAYLERYMERFMSY-IHRRRGAJSA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CCN(C(=O)CC2CCN(C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000649412357 418251863 /nfs/dbraw/zinc/25/18/63/418251863.db2.gz CILSMJGWPJDXAU-KRWDZBQOSA-N 1 3 322.497 0.862 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN(CC(C)(C)O)C1CCOCC1 ZINC000659990175 418212587 /nfs/dbraw/zinc/21/25/87/418212587.db2.gz DTTSKNUEXQAWAA-HNNXBMFYSA-N 1 3 302.459 0.939 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN(CC(C)(C)O)C1CCOCC1 ZINC000659990175 418212589 /nfs/dbraw/zinc/21/25/89/418212589.db2.gz DTTSKNUEXQAWAA-HNNXBMFYSA-N 1 3 302.459 0.939 20 0 DCADHO CCC[NH+]1CCC(NC(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000649280644 418218327 /nfs/dbraw/zinc/21/83/27/418218327.db2.gz AZNCDWOXAQWYQW-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CC[C@H]1[NH3+] ZINC000649416617 418254215 /nfs/dbraw/zinc/25/42/15/418254215.db2.gz GJZCJHGDCFFYPR-XJKSGUPXSA-N 1 3 308.470 0.789 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCO1 ZINC000655973820 418310118 /nfs/dbraw/zinc/31/01/18/418310118.db2.gz IRPJABGJLQYKRK-RBSFLKMASA-N 1 3 310.442 0.763 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656029369 418322304 /nfs/dbraw/zinc/32/23/04/418322304.db2.gz YWYIZFKAJIRBAS-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656304353 418342807 /nfs/dbraw/zinc/34/28/07/418342807.db2.gz XCALIBQXEBFDBV-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656304353 418342809 /nfs/dbraw/zinc/34/28/09/418342809.db2.gz XCALIBQXEBFDBV-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656316374 418344715 /nfs/dbraw/zinc/34/47/15/418344715.db2.gz RJFXPGHZYUJLLH-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656344688 418348424 /nfs/dbraw/zinc/34/84/24/418348424.db2.gz XTJFYWNZBMEIDL-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCO1 ZINC000656540557 418360692 /nfs/dbraw/zinc/36/06/92/418360692.db2.gz LFZBOPNGETZMEB-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCO1 ZINC000656540557 418360694 /nfs/dbraw/zinc/36/06/94/418360694.db2.gz LFZBOPNGETZMEB-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO COc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cn1 ZINC000656787161 418376289 /nfs/dbraw/zinc/37/62/89/418376289.db2.gz FAJYEMCCHRTWEH-AWEZNQCLSA-N 1 3 306.410 0.719 20 0 DCADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cn1 ZINC000656787161 418376291 /nfs/dbraw/zinc/37/62/91/418376291.db2.gz FAJYEMCCHRTWEH-AWEZNQCLSA-N 1 3 306.410 0.719 20 0 DCADHO O[C@@H]1CCN(C2CC[NH+](CC3(O)CCSCC3)CC2)C1 ZINC000662146695 418383331 /nfs/dbraw/zinc/38/33/31/418383331.db2.gz AKJQJHUHRQDMDE-CQSZACIVSA-N 1 3 300.468 0.776 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CCC[C@](O)(CO)C2)cc1 ZINC000656909484 418384484 /nfs/dbraw/zinc/38/44/84/418384484.db2.gz QTAMMPLSRKBFKY-QGZVFWFLSA-N 1 3 308.422 0.946 20 0 DCADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000662261220 418394011 /nfs/dbraw/zinc/39/40/11/418394011.db2.gz GLNLJDKEALUAHT-KGLIPLIRSA-N 1 3 317.437 0.925 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662497854 418412964 /nfs/dbraw/zinc/41/29/64/418412964.db2.gz LRBMNKVUCFLYNJ-SMDDNHRTSA-N 1 3 318.425 0.415 20 0 DCADHO CCN(CCO)CCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000193069041 261140946 /nfs/dbraw/zinc/14/09/46/261140946.db2.gz LZHMZFCXHGKUQW-UHFFFAOYSA-N 1 3 322.453 0.862 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1([NH3+])CCCCC1 ZINC000237027396 261157080 /nfs/dbraw/zinc/15/70/80/261157080.db2.gz XZAKYBPXEPUVCG-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000354670334 261255187 /nfs/dbraw/zinc/25/51/87/261255187.db2.gz BNHHWOJJFVBGPG-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCN(C)C(=O)C1(C(=O)N(C)CC[NH+](C)C)CCC1 ZINC000354724678 261264406 /nfs/dbraw/zinc/26/44/06/261264406.db2.gz YUEGQLQKDNPBRS-UHFFFAOYSA-N 1 3 312.458 0.197 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354809028 261274320 /nfs/dbraw/zinc/27/43/20/261274320.db2.gz UBCUFGXLWBMOPU-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354809028 261274321 /nfs/dbraw/zinc/27/43/21/261274321.db2.gz UBCUFGXLWBMOPU-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355279223 261325003 /nfs/dbraw/zinc/32/50/03/261325003.db2.gz MZCLOIVKRBJJJT-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000355315202 261330319 /nfs/dbraw/zinc/33/03/19/261330319.db2.gz OYAYXUWHVVVWRN-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000355315205 261330466 /nfs/dbraw/zinc/33/04/66/261330466.db2.gz OYAYXUWHVVVWRN-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1C ZINC000355884322 261374354 /nfs/dbraw/zinc/37/43/54/261374354.db2.gz WKBLOTQKJPYMFG-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1C ZINC000355884320 261374710 /nfs/dbraw/zinc/37/47/10/261374710.db2.gz WKBLOTQKJPYMFG-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](N)CC(F)F)CC1 ZINC000356136488 261396045 /nfs/dbraw/zinc/39/60/45/261396045.db2.gz YAPJVCRMAZXGFV-ZYHUDNBSSA-N 1 3 307.385 0.520 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363282747 262110437 /nfs/dbraw/zinc/11/04/37/262110437.db2.gz ODDXSIYPMJUKLD-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363282747 262110439 /nfs/dbraw/zinc/11/04/39/262110439.db2.gz ODDXSIYPMJUKLD-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000416854739 262241480 /nfs/dbraw/zinc/24/14/80/262241480.db2.gz VHGYNRFCFISGLQ-HZPDHXFCSA-N 1 3 320.437 0.528 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417039237 262244292 /nfs/dbraw/zinc/24/42/92/262244292.db2.gz UYABPHQMNWUJRP-OAHLLOKOSA-N 1 3 311.474 0.455 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000417219369 262247918 /nfs/dbraw/zinc/24/79/18/262247918.db2.gz IYZVWGNIISMPKE-ZBFHGGJFSA-N 1 3 320.437 0.785 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NC1CCN(CCCOC)CC1 ZINC000417438356 262252425 /nfs/dbraw/zinc/25/24/25/262252425.db2.gz IZYKAFSQVFOLOR-CYBMUJFWSA-N 1 3 300.447 0.785 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000417524030 262254294 /nfs/dbraw/zinc/25/42/94/262254294.db2.gz IVLBHAYIHLHUTJ-HNNXBMFYSA-N 1 3 320.437 0.831 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000417813364 262262681 /nfs/dbraw/zinc/26/26/81/262262681.db2.gz GJMSLJKAVVDWOP-GXTWGEPZSA-N 1 3 300.472 0.817 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000417826913 262263244 /nfs/dbraw/zinc/26/32/44/262263244.db2.gz NHDCBLZIMQGQBB-CABCVRRESA-N 1 3 312.483 0.819 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000417949426 262265608 /nfs/dbraw/zinc/26/56/08/262265608.db2.gz KENMMPQSSYQYAM-CQSZACIVSA-N 1 3 321.425 0.525 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1CCCCN1C1CC1 ZINC000418115648 262270575 /nfs/dbraw/zinc/27/05/75/262270575.db2.gz OVDUXWGTDGXWNX-MRXNPFEDSA-N 1 3 323.485 0.598 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000418193583 262272006 /nfs/dbraw/zinc/27/20/06/262272006.db2.gz BZUFJWWUFAQABM-LBPRGKRZSA-N 1 3 302.488 0.969 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000418364011 262275312 /nfs/dbraw/zinc/27/53/12/262275312.db2.gz CQFWJIMCHQQQGV-ZDUSSCGKSA-N 1 3 321.425 0.777 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000418375120 262275852 /nfs/dbraw/zinc/27/58/52/262275852.db2.gz WYVGBHPRDNSFOY-UONOGXRCSA-N 1 3 300.447 0.594 20 0 DCADHO [NH3+]CCCCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418524869 262280927 /nfs/dbraw/zinc/28/09/27/262280927.db2.gz MAXKKVRRJGTXHC-UHFFFAOYSA-N 1 3 313.446 0.017 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418648958 262285104 /nfs/dbraw/zinc/28/51/04/262285104.db2.gz IJEMYRKOVJXXPZ-UKRRQHHQSA-N 1 3 306.410 0.618 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418773505 262288618 /nfs/dbraw/zinc/28/86/18/262288618.db2.gz XRAQCPSPHOGJIQ-HNNXBMFYSA-N 1 3 324.425 0.731 20 0 DCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@@H]1CCCN(CCCO)C1 ZINC000418780705 262289762 /nfs/dbraw/zinc/28/97/62/262289762.db2.gz BYAVEXJFTOJLGC-QKPAOTATSA-N 1 3 324.469 0.521 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418828283 262291660 /nfs/dbraw/zinc/29/16/60/262291660.db2.gz CUYVJXXVCZOOBZ-UKRRQHHQSA-N 1 3 320.437 0.129 20 0 DCADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)N(C)CCN)CC2)CC1 ZINC000418861016 262293946 /nfs/dbraw/zinc/29/39/46/262293946.db2.gz DWFOFQXRGIVWTK-UHFFFAOYSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])c1ccccc1 ZINC000418863312 262294552 /nfs/dbraw/zinc/29/45/52/262294552.db2.gz PGZUTTLNLLCSRD-ZFWWWQNUSA-N 1 3 320.437 0.649 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419016837 262305100 /nfs/dbraw/zinc/30/51/00/262305100.db2.gz AAFSFMMAWALUSB-SFDCQRBFSA-N 1 3 324.469 0.323 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419134373 262312789 /nfs/dbraw/zinc/31/27/89/262312789.db2.gz HIAMWIYUENEMBR-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419134373 262312790 /nfs/dbraw/zinc/31/27/90/262312790.db2.gz HIAMWIYUENEMBR-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419153319 262313387 /nfs/dbraw/zinc/31/33/87/262313387.db2.gz PIEQXINXYWPZGX-GXTWGEPZSA-N 1 3 306.410 0.259 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419170545 262316805 /nfs/dbraw/zinc/31/68/05/262316805.db2.gz NTERUJLILVWYEJ-ZIAGYGMSSA-N 1 3 312.458 0.468 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)C1CC1 ZINC000419233870 262322154 /nfs/dbraw/zinc/32/21/54/262322154.db2.gz WTUKYGXONNZXOR-CABCVRRESA-N 1 3 322.453 0.221 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419282362 262324146 /nfs/dbraw/zinc/32/41/46/262324146.db2.gz IHOHVFMUIXLQCO-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419411195 262331187 /nfs/dbraw/zinc/33/11/87/262331187.db2.gz BDTSIOUZDXCWLA-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419416966 262331863 /nfs/dbraw/zinc/33/18/63/262331863.db2.gz HIHAEHINKVVKNF-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419416967 262331993 /nfs/dbraw/zinc/33/19/93/262331993.db2.gz HIHAEHINKVVKNF-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000419412490 262332068 /nfs/dbraw/zinc/33/20/68/262332068.db2.gz QXWIYMPZTSWPIM-CABCVRRESA-N 1 3 324.469 0.278 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419425896 262333265 /nfs/dbraw/zinc/33/32/65/262333265.db2.gz QGASVDPYSRJRPB-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000419485127 262334724 /nfs/dbraw/zinc/33/47/24/262334724.db2.gz VBCOCNYNMCYYPW-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000419485127 262334726 /nfs/dbraw/zinc/33/47/26/262334726.db2.gz VBCOCNYNMCYYPW-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419501789 262336323 /nfs/dbraw/zinc/33/63/23/262336323.db2.gz BXGKUWVLNJZBDU-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N(C)C1CC1 ZINC000419592538 262339244 /nfs/dbraw/zinc/33/92/44/262339244.db2.gz SCTIQWQDSUTEHO-SMDDNHRTSA-N 1 3 310.442 0.219 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419595105 262339781 /nfs/dbraw/zinc/33/97/81/262339781.db2.gz VXLWHLQLIOXNGH-CQSZACIVSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC[C@@H]1[NH3+] ZINC000419691545 262345613 /nfs/dbraw/zinc/34/56/13/262345613.db2.gz DYQNFTLWHJLFBN-IPYPFGDCSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419697123 262347066 /nfs/dbraw/zinc/34/70/66/262347066.db2.gz NVUMLVRTRWBWMO-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419698500 262347446 /nfs/dbraw/zinc/34/74/46/262347446.db2.gz TVRRXQKQNQUWBP-GXTWGEPZSA-N 1 3 308.426 0.069 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419700605 262347467 /nfs/dbraw/zinc/34/74/67/262347467.db2.gz XTKAOCJYGZWQEB-CYBMUJFWSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699238 262347621 /nfs/dbraw/zinc/34/76/21/262347621.db2.gz VVMWVHZIFWTMQH-UONOGXRCSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419926028 262353458 /nfs/dbraw/zinc/35/34/58/262353458.db2.gz AQTCSRWSYFJTBZ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419993031 262356202 /nfs/dbraw/zinc/35/62/02/262356202.db2.gz KDMUCQRCEAHQRN-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420058520 262358470 /nfs/dbraw/zinc/35/84/70/262358470.db2.gz FDKYKKYIYFUWLC-HNNXBMFYSA-N 1 3 324.469 0.609 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420077266 262359614 /nfs/dbraw/zinc/35/96/14/262359614.db2.gz YDDSHGJOUCCLFB-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000420102022 262361281 /nfs/dbraw/zinc/36/12/81/262361281.db2.gz MNOWANKFXABABP-XJKSGUPXSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000420102021 262361363 /nfs/dbraw/zinc/36/13/63/262361363.db2.gz MNOWANKFXABABP-CZUORRHYSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420158885 262364644 /nfs/dbraw/zinc/36/46/44/262364644.db2.gz BYCFEIHHCGHYHN-CQSZACIVSA-N 1 3 308.426 0.013 20 0 DCADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420270375 262368594 /nfs/dbraw/zinc/36/85/94/262368594.db2.gz YQJIUQBKTXQUIN-NWDGAFQWSA-N 1 3 319.457 0.981 20 0 DCADHO CC[C@H](C)NC(=O)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420362345 262371346 /nfs/dbraw/zinc/37/13/46/262371346.db2.gz NZPJESMQBYLEAA-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000423236912 262434387 /nfs/dbraw/zinc/43/43/87/262434387.db2.gz PENCXDQGXDJYJL-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000423360257 262440194 /nfs/dbraw/zinc/44/01/94/262440194.db2.gz QFGZMRNGGIQVBX-ZIAGYGMSSA-N 1 3 309.454 0.944 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC000358771214 271069974 /nfs/dbraw/zinc/06/99/74/271069974.db2.gz BBTXVPLMAPXUHB-INIZCTEOSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359224162 271106974 /nfs/dbraw/zinc/10/69/74/271106974.db2.gz RJADQLGSDUWGIN-AWEZNQCLSA-N 1 3 308.470 0.661 20 0 DCADHO C[NH2+]CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418330894 271243138 /nfs/dbraw/zinc/24/31/38/271243138.db2.gz PNQIFBGRRDGVIW-KBPBESRZSA-N 1 3 312.458 0.737 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000418990976 271264305 /nfs/dbraw/zinc/26/43/05/271264305.db2.gz WVLWTDQSWJVBHT-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000418990976 271264309 /nfs/dbraw/zinc/26/43/09/271264309.db2.gz WVLWTDQSWJVBHT-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419028040 271265422 /nfs/dbraw/zinc/26/54/22/271265422.db2.gz PSPIPLUTAHOHAK-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419028430 271265693 /nfs/dbraw/zinc/26/56/93/271265693.db2.gz QJIXPBYHUCAULU-MELADBBJSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419025107 271265760 /nfs/dbraw/zinc/26/57/60/271265760.db2.gz LSVKWJWBNGRZAT-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCN)C1 ZINC000419032096 271267432 /nfs/dbraw/zinc/26/74/32/271267432.db2.gz WBOJURRXIBSFLR-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419031345 271267656 /nfs/dbraw/zinc/26/76/56/271267656.db2.gz VEWFVZPEONJGQU-KBXIAJHMSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419032806 271269357 /nfs/dbraw/zinc/26/93/57/271269357.db2.gz XGOFAEDLZGLQLX-UPJWGTAASA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)NCCN)[N@H+](C)Cc1ccccc1 ZINC000419187189 271277398 /nfs/dbraw/zinc/27/73/98/271277398.db2.gz FTFXVJPGEPCBMX-ZDUSSCGKSA-N 1 3 306.410 0.088 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)NCCN)[N@@H+](C)Cc1ccccc1 ZINC000419187189 271277401 /nfs/dbraw/zinc/27/74/01/271277401.db2.gz FTFXVJPGEPCBMX-ZDUSSCGKSA-N 1 3 306.410 0.088 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419522794 271298631 /nfs/dbraw/zinc/29/86/31/271298631.db2.gz NLRLLZGSBDYYLG-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCCNCC1)C[NH+]1CCCC1 ZINC000419670653 271320716 /nfs/dbraw/zinc/32/07/16/271320716.db2.gz XFOQCNINWKMREG-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419705067 271323368 /nfs/dbraw/zinc/32/33/68/271323368.db2.gz ZENFSXKWHUWPQG-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419816455 271328175 /nfs/dbraw/zinc/32/81/75/271328175.db2.gz IFKVPPFEKBXFIU-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000419932309 271343957 /nfs/dbraw/zinc/34/39/57/271343957.db2.gz DLAOCKOSEWWWLV-ZDUSSCGKSA-N 1 3 300.447 0.004 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420012481 271351220 /nfs/dbraw/zinc/35/12/20/271351220.db2.gz JGDAIKYKFLUVRV-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422849925 271389653 /nfs/dbraw/zinc/38/96/53/271389653.db2.gz VGNLFOMRKUIQOW-HUUCEWRRSA-N 1 3 319.453 0.836 20 0 DCADHO CC(=O)N1CCN(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422866932 271390528 /nfs/dbraw/zinc/39/05/28/271390528.db2.gz RECPRNMNPMMYFJ-BBWFWOEESA-N 1 3 308.470 0.661 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000489756548 272067175 /nfs/dbraw/zinc/06/71/75/272067175.db2.gz LBKFUQYRYLUUBG-KBPBESRZSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494739413 272229881 /nfs/dbraw/zinc/22/98/81/272229881.db2.gz XCXIGARHYSUIID-ZFWWWQNUSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494739413 272229883 /nfs/dbraw/zinc/22/98/83/272229883.db2.gz XCXIGARHYSUIID-ZFWWWQNUSA-N 1 3 320.437 0.836 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000288881781 277319618 /nfs/dbraw/zinc/31/96/18/277319618.db2.gz ZOBOWISARUAEFR-KGLIPLIRSA-N 1 3 307.394 0.686 20 0 DCADHO CCN(CC)CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341844618 279089812 /nfs/dbraw/zinc/08/98/12/279089812.db2.gz CASHIDZJNYQINF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341844618 279089813 /nfs/dbraw/zinc/08/98/13/279089813.db2.gz CASHIDZJNYQINF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000364041563 279306403 /nfs/dbraw/zinc/30/64/03/279306403.db2.gz XSYWJCMBHQXGRZ-QLFBSQMISA-N 1 3 309.458 0.448 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)CC1 ZINC000368496250 279355234 /nfs/dbraw/zinc/35/52/34/279355234.db2.gz NDGCJTRWUSBHJC-KBPBESRZSA-N 1 3 300.422 0.172 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000331377095 288126292 /nfs/dbraw/zinc/12/62/92/288126292.db2.gz HIRNWHLRZFAJBN-BPLDGKMQSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(CCN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337296225 288171338 /nfs/dbraw/zinc/17/13/38/288171338.db2.gz JILXFGCHDJXPLO-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN(CCN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)CCO1 ZINC000337296225 288171340 /nfs/dbraw/zinc/17/13/40/288171340.db2.gz JILXFGCHDJXPLO-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN(CCN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CCO1 ZINC000337296225 288171342 /nfs/dbraw/zinc/17/13/42/288171342.db2.gz JILXFGCHDJXPLO-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000332535183 288300785 /nfs/dbraw/zinc/30/07/85/288300785.db2.gz ADZLPDILMGWCPU-BARDWOONSA-N 1 3 322.453 0.315 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CCC[C@@H]2CN2CCCCC2)nn1 ZINC000563051819 288621198 /nfs/dbraw/zinc/62/11/98/288621198.db2.gz DNWAMBKTMAXBPK-CQSZACIVSA-N 1 3 320.441 0.717 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)[C@H]1CNCc2ccccc21 ZINC000563809765 288705484 /nfs/dbraw/zinc/70/54/84/288705484.db2.gz UWBMXEXAAOODDD-INIZCTEOSA-N 1 3 302.422 0.285 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000565254270 288839150 /nfs/dbraw/zinc/83/91/50/288839150.db2.gz MKBKWXPCOAFKGX-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@H](N)Cc2ccccc2)CCOCC1 ZINC000237081642 289055726 /nfs/dbraw/zinc/05/57/26/289055726.db2.gz OQNMSTQARCUGNX-OAHLLOKOSA-N 1 3 305.422 0.783 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000419891682 295304812 /nfs/dbraw/zinc/30/48/12/295304812.db2.gz IYVIAQRGRYPIDG-KFWWJZLASA-N 1 3 322.453 0.459 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332303340 295312046 /nfs/dbraw/zinc/31/20/46/295312046.db2.gz IDHXHXRZONWGBM-QLFBSQMISA-N 1 3 322.453 0.459 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3[NH2+]CCCC3(C)C)C[C@H]2N)cn1 ZINC000333596903 302924521 /nfs/dbraw/zinc/92/45/21/302924521.db2.gz PWCQUXFOKOKEDD-BFHYXJOUSA-N 1 3 305.426 0.451 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000570969817 333471504 /nfs/dbraw/zinc/47/15/04/333471504.db2.gz AJFJUNQTCNWKKC-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO N[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000577174261 341894273 /nfs/dbraw/zinc/89/42/73/341894273.db2.gz WNCWZOYNOQBYAV-SNPRPXQTSA-N 1 3 322.453 0.221 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001568849874 1160816573 /nfs/dbraw/zinc/81/65/73/1160816573.db2.gz BJQHFZUWXLAMTK-BUHQSOCUSA-N 1 3 310.442 0.385 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001568849874 1160816577 /nfs/dbraw/zinc/81/65/77/1160816577.db2.gz BJQHFZUWXLAMTK-BUHQSOCUSA-N 1 3 310.442 0.385 20 0 DCADHO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000364852702 519364457 /nfs/dbraw/zinc/36/44/57/519364457.db2.gz WIHGJLJGXLEOPK-HOTGVXAUSA-N 1 3 310.486 0.987 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332598446 528277448 /nfs/dbraw/zinc/27/74/48/528277448.db2.gz CISFFXOEXUAFAC-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO CCOC(=O)CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000420328143 535648285 /nfs/dbraw/zinc/64/82/85/535648285.db2.gz ZLMIVQHIZCHZFG-ZIAGYGMSSA-N 1 3 311.426 0.520 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000080104048 545687627 /nfs/dbraw/zinc/68/76/27/545687627.db2.gz LMLDGMAKPKBZSS-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333734255 546090926 /nfs/dbraw/zinc/09/09/26/546090926.db2.gz IEDRMTRYZYCHJZ-KGLIPLIRSA-N 1 3 311.474 0.452 20 0 DCADHO C[C@@H]1C[C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000358696802 546193212 /nfs/dbraw/zinc/19/32/12/546193212.db2.gz URHRUZWHJZFZRG-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434353538 546252031 /nfs/dbraw/zinc/25/20/31/546252031.db2.gz WKXAVOQLNSRKBY-GDBMZVCRSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@H+](C)CC2(N(C)C)CCC2)C[C@@H](C)O1 ZINC000445872648 546257474 /nfs/dbraw/zinc/25/74/74/546257474.db2.gz XOYUYUADBLZJGJ-BZUAXINKSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC2(N(C)C)CCC2)C[C@@H](C)O1 ZINC000445872648 546257478 /nfs/dbraw/zinc/25/74/78/546257478.db2.gz XOYUYUADBLZJGJ-BZUAXINKSA-N 1 3 313.486 0.873 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615275318 546316367 /nfs/dbraw/zinc/31/63/67/546316367.db2.gz YSIACJLSZFYEAF-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615275318 546316373 /nfs/dbraw/zinc/31/63/73/546316373.db2.gz YSIACJLSZFYEAF-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]1O ZINC000665763814 546396709 /nfs/dbraw/zinc/39/67/09/546396709.db2.gz MQHBPPWLOJRJKQ-BFHYXJOUSA-N 1 3 300.447 0.471 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]1O ZINC000665763814 546396713 /nfs/dbraw/zinc/39/67/13/546396713.db2.gz MQHBPPWLOJRJKQ-BFHYXJOUSA-N 1 3 300.447 0.471 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666663881 546494636 /nfs/dbraw/zinc/49/46/36/546494636.db2.gz UCCVUUWUSXXBKD-RHSMWYFYSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666663881 546494638 /nfs/dbraw/zinc/49/46/38/546494638.db2.gz UCCVUUWUSXXBKD-RHSMWYFYSA-N 1 3 324.469 0.759 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@@H]1O ZINC000667335637 546590159 /nfs/dbraw/zinc/59/01/59/546590159.db2.gz JDYAHTILWMKYSR-HOTGVXAUSA-N 1 3 324.469 0.425 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000667336698 546590914 /nfs/dbraw/zinc/59/09/14/546590914.db2.gz MRUQJWKJPPJYEU-KRWDZBQOSA-N 1 3 324.469 0.474 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000668549380 546782286 /nfs/dbraw/zinc/78/22/86/546782286.db2.gz XJOSAMXUSVPYFD-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000668549380 546782289 /nfs/dbraw/zinc/78/22/89/546782289.db2.gz XJOSAMXUSVPYFD-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NCC2CC[NH2+]CC2)CCSC1 ZINC000669514746 546982657 /nfs/dbraw/zinc/98/26/57/546982657.db2.gz DPPFFIXBKHVADF-CQSZACIVSA-N 1 3 300.472 0.723 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672010599 547311951 /nfs/dbraw/zinc/31/19/51/547311951.db2.gz NYQGOMQTKDCANO-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672308633 547348034 /nfs/dbraw/zinc/34/80/34/547348034.db2.gz VXJFBNDJFZTQQL-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000673636931 547508045 /nfs/dbraw/zinc/50/80/45/547508045.db2.gz AGQHCJYFIBPTHD-PBHICJAKSA-N 1 3 305.422 0.690 20 0 DCADHO CN1CCC[C@@H](NC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000674029240 547555252 /nfs/dbraw/zinc/55/52/52/547555252.db2.gz PQOGMJGUTPIWBI-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO CN1CCC[N@H+](CCCNCc2cnc3cnccn23)CC1 ZINC000676556330 547788781 /nfs/dbraw/zinc/78/87/81/547788781.db2.gz JPHORWYIMREXMZ-UHFFFAOYSA-N 1 3 302.426 0.847 20 0 DCADHO CN1CCC[N@@H+](CCCNCc2cnc3cnccn23)CC1 ZINC000676556330 547788783 /nfs/dbraw/zinc/78/87/83/547788783.db2.gz JPHORWYIMREXMZ-UHFFFAOYSA-N 1 3 302.426 0.847 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001668478106 1174800656 /nfs/dbraw/zinc/80/06/56/1174800656.db2.gz OULLRSZSUPWIJB-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001668478106 1174800663 /nfs/dbraw/zinc/80/06/63/1174800663.db2.gz OULLRSZSUPWIJB-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CC[NH2+]C[C@@H](O)CC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001668566842 1174809166 /nfs/dbraw/zinc/80/91/66/1174809166.db2.gz QKQILXHUXJVPDD-NSHDSACASA-N 1 3 322.331 0.704 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCNCc2nccn2C)C1 ZINC001670246439 1174995633 /nfs/dbraw/zinc/99/56/33/1174995633.db2.gz ZKNNYBQIRMWHLX-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNCc2nccn2C)C1 ZINC001670246439 1174995637 /nfs/dbraw/zinc/99/56/37/1174995637.db2.gz ZKNNYBQIRMWHLX-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594671 660497793 /nfs/dbraw/zinc/49/77/93/660497793.db2.gz LLZFPATYCAPCDB-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594671 660497795 /nfs/dbraw/zinc/49/77/95/660497795.db2.gz LLZFPATYCAPCDB-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cnn(C)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980703817 660987387 /nfs/dbraw/zinc/98/73/87/660987387.db2.gz JIFBKWLTPAESGQ-OLZOCXBDSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cncn2C)CN1C(=O)CN1CCCC1 ZINC000980799704 661015464 /nfs/dbraw/zinc/01/54/64/661015464.db2.gz KLVSSBCBJZYMLJ-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccn(C)n2)CN1C(=O)CN1CCCC1 ZINC000980799758 661015601 /nfs/dbraw/zinc/01/56/01/661015601.db2.gz LENLPNZZSQALBP-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037499 661093956 /nfs/dbraw/zinc/09/39/56/661093956.db2.gz ZFUDPCBDYFBZQE-KRIMKBQASA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037499 661093957 /nfs/dbraw/zinc/09/39/57/661093957.db2.gz ZFUDPCBDYFBZQE-KRIMKBQASA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCN(CCCO)CC2)C1 ZINC000981324860 661134724 /nfs/dbraw/zinc/13/47/24/661134724.db2.gz UMYNNKIETLMJFV-MRXNPFEDSA-N 1 3 311.470 0.881 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCN(CCCO)CC2)C1 ZINC000981324860 661134725 /nfs/dbraw/zinc/13/47/25/661134725.db2.gz UMYNNKIETLMJFV-MRXNPFEDSA-N 1 3 311.470 0.881 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998535634 665475598 /nfs/dbraw/zinc/47/55/98/665475598.db2.gz NOANKGKKVCYLCH-UYSNPLJNSA-N 1 3 319.453 0.636 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998550564 665478802 /nfs/dbraw/zinc/47/88/02/665478802.db2.gz NBQYIULLJRMNAB-AVVWSFFYSA-N 1 3 319.453 0.636 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891538198 657465588 /nfs/dbraw/zinc/46/55/88/657465588.db2.gz SWVFIRVVTDDUNK-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO CCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000891604456 657516487 /nfs/dbraw/zinc/51/64/87/657516487.db2.gz YNTWQOSLTRKPPH-CABCVRRESA-N 1 3 311.474 0.263 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023124638 657537126 /nfs/dbraw/zinc/53/71/26/657537126.db2.gz JWXKVRSPQOXEJZ-NMWPEEMBSA-N 1 3 320.441 0.388 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1)C1CC1 ZINC000971679874 657556153 /nfs/dbraw/zinc/55/61/53/657556153.db2.gz WHHSMVXCLQHATA-JKSUJKDBSA-N 1 3 319.453 0.756 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1)C1CC1 ZINC000971679874 657556159 /nfs/dbraw/zinc/55/61/59/657556159.db2.gz WHHSMVXCLQHATA-JKSUJKDBSA-N 1 3 319.453 0.756 20 0 DCADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)N1CCCC1 ZINC001021343288 657644433 /nfs/dbraw/zinc/64/44/33/657644433.db2.gz HBLRCUBVLZPLEA-GOOCMWNKSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)N1CCCC1 ZINC001021343288 657644438 /nfs/dbraw/zinc/64/44/38/657644438.db2.gz HBLRCUBVLZPLEA-GOOCMWNKSA-N 1 3 309.454 0.965 20 0 DCADHO COC(=O)CCN1CCC[C@H](N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000933733253 657771134 /nfs/dbraw/zinc/77/11/34/657771134.db2.gz BNSIEXQVKHRTMG-GRDNDAEWSA-N 1 3 323.437 0.424 20 0 DCADHO COC(=O)CCN1CCC[C@H](N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000933733253 657771135 /nfs/dbraw/zinc/77/11/35/657771135.db2.gz BNSIEXQVKHRTMG-GRDNDAEWSA-N 1 3 323.437 0.424 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000970800484 657916962 /nfs/dbraw/zinc/91/69/62/657916962.db2.gz PXFUXQQTKJTERD-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000970800484 657916969 /nfs/dbraw/zinc/91/69/69/657916969.db2.gz PXFUXQQTKJTERD-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001020586762 658163758 /nfs/dbraw/zinc/16/37/58/658163758.db2.gz YPLWTUAFRHXSCO-BPUTZDHNSA-N 1 3 319.453 0.684 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892079789 658167538 /nfs/dbraw/zinc/16/75/38/658167538.db2.gz ZYZIJSSVWGTTIB-ZBFHGGJFSA-N 1 3 323.485 0.406 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC001020589931 658168943 /nfs/dbraw/zinc/16/89/43/658168943.db2.gz HZISPGCDYOSNJN-ATVPRXPUSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001020589931 658168946 /nfs/dbraw/zinc/16/89/46/658168946.db2.gz HZISPGCDYOSNJN-ATVPRXPUSA-N 1 3 317.437 0.720 20 0 DCADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969814191 658170417 /nfs/dbraw/zinc/17/04/17/658170417.db2.gz LDTAZSNNGJVPBB-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001020591209 658171553 /nfs/dbraw/zinc/17/15/53/658171553.db2.gz HLEGVDSHZRMUDD-JHJVBQTASA-N 1 3 310.442 0.219 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001020591736 658174184 /nfs/dbraw/zinc/17/41/84/658174184.db2.gz UMNHIOVZGFWMGL-HDJSIYSDSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001023890258 658299165 /nfs/dbraw/zinc/29/91/65/658299165.db2.gz WNXHBNADQWHTKE-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022712558 658357632 /nfs/dbraw/zinc/35/76/32/658357632.db2.gz UCEQFSRNEASRDC-MELADBBJSA-N 1 3 320.441 0.519 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022716342 658371786 /nfs/dbraw/zinc/37/17/86/658371786.db2.gz VCVOIQSDSXARQT-RTXFEEFZSA-N 1 3 323.466 0.925 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001022716342 658371792 /nfs/dbraw/zinc/37/17/92/658371792.db2.gz VCVOIQSDSXARQT-RTXFEEFZSA-N 1 3 323.466 0.925 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001024016944 658400616 /nfs/dbraw/zinc/40/06/16/658400616.db2.gz RBEPSDALTHPDQW-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020929159 658592593 /nfs/dbraw/zinc/59/25/93/658592593.db2.gz UYLDRKBMQKSXJP-RBSFLKMASA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020929159 658592597 /nfs/dbraw/zinc/59/25/97/658592597.db2.gz UYLDRKBMQKSXJP-RBSFLKMASA-N 1 3 317.437 0.864 20 0 DCADHO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3C)C2)sn1 ZINC001021895800 658626698 /nfs/dbraw/zinc/62/66/98/658626698.db2.gz RNZVPCPUWAALRR-LOWVWBTDSA-N 1 3 324.450 0.983 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001039136396 658663394 /nfs/dbraw/zinc/66/33/94/658663394.db2.gz LLJRMFVPQSFZPF-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001039136396 658663397 /nfs/dbraw/zinc/66/33/97/658663397.db2.gz LLJRMFVPQSFZPF-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970171345 658689473 /nfs/dbraw/zinc/68/94/73/658689473.db2.gz YTMGWDSTBPLVGE-QBPRILJRSA-N 1 3 321.465 0.942 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001021044984 658728140 /nfs/dbraw/zinc/72/81/40/658728140.db2.gz WPRIKLSKEASXDY-MGPQQGTHSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001021044984 658728144 /nfs/dbraw/zinc/72/81/44/658728144.db2.gz WPRIKLSKEASXDY-MGPQQGTHSA-N 1 3 303.410 0.474 20 0 DCADHO C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429629 658754176 /nfs/dbraw/zinc/75/41/76/658754176.db2.gz LOQIUWUBVACYKV-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429629 658754184 /nfs/dbraw/zinc/75/41/84/658754184.db2.gz LOQIUWUBVACYKV-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001022082148 658839695 /nfs/dbraw/zinc/83/96/95/658839695.db2.gz XCYSHGPZLGTHFB-HZSPNIEDSA-N 1 3 324.469 0.752 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000891513742 658898295 /nfs/dbraw/zinc/89/82/95/658898295.db2.gz GHTGVEYQHHYRAI-KBPBESRZSA-N 1 3 305.382 0.326 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000891513742 658898303 /nfs/dbraw/zinc/89/83/03/658898303.db2.gz GHTGVEYQHHYRAI-KBPBESRZSA-N 1 3 305.382 0.326 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000891513866 658899590 /nfs/dbraw/zinc/89/95/90/658899590.db2.gz IHDPGJNTEWLDPV-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000924465186 658924766 /nfs/dbraw/zinc/92/47/66/658924766.db2.gz IHDKPRZVNIZJGS-AWEZNQCLSA-N 1 3 308.426 0.875 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCCN(CCCO)C1 ZINC000892589814 658951016 /nfs/dbraw/zinc/95/10/16/658951016.db2.gz RPTNJXOLGGOIMA-FZKCQIBNSA-N 1 3 324.469 0.663 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC000999349262 665633754 /nfs/dbraw/zinc/63/37/54/665633754.db2.gz SAOGIGRPIYOOBM-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027216577 659088040 /nfs/dbraw/zinc/08/80/40/659088040.db2.gz BDPCJZJTUGPVHQ-AWEZNQCLSA-N 1 3 305.426 0.454 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC000999481127 665649915 /nfs/dbraw/zinc/64/99/15/665649915.db2.gz BAMMOXAIAPYSBR-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCCO1 ZINC000892790187 659458300 /nfs/dbraw/zinc/45/83/00/659458300.db2.gz YYKCSLPPMIXZAD-HOTGVXAUSA-N 1 3 318.421 0.460 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026727331 659482636 /nfs/dbraw/zinc/48/26/36/659482636.db2.gz NBUPHIAIKLIOMC-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]21 ZINC001025808957 659567755 /nfs/dbraw/zinc/56/77/55/659567755.db2.gz CUFZNKIHXKOUJB-LJIZCISZSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]21 ZINC001025808957 659567757 /nfs/dbraw/zinc/56/77/57/659567757.db2.gz CUFZNKIHXKOUJB-LJIZCISZSA-N 1 3 309.454 0.942 20 0 DCADHO COCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974579897 659584108 /nfs/dbraw/zinc/58/41/08/659584108.db2.gz WJJBCMRWRULQBU-LSDHHAIUSA-N 1 3 309.454 0.801 20 0 DCADHO CCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974598794 659590362 /nfs/dbraw/zinc/59/03/62/659590362.db2.gz VNLFKBCWWVRDQO-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001026891317 659626092 /nfs/dbraw/zinc/62/60/92/659626092.db2.gz RNGSXQCIZSXVCY-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1)C1CC1 ZINC001026887879 659627860 /nfs/dbraw/zinc/62/78/60/659627860.db2.gz WZSCELHUYIZSHG-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)sn1 ZINC001020026388 659659484 /nfs/dbraw/zinc/65/94/84/659659484.db2.gz RNZVPCPUWAALRR-NQBHXWOUSA-N 1 3 324.450 0.983 20 0 DCADHO CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)C1=O ZINC000999834082 665695793 /nfs/dbraw/zinc/69/57/93/665695793.db2.gz QCUKIYLYQBLOLN-NRXISQOPSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cn1 ZINC000999834784 665696112 /nfs/dbraw/zinc/69/61/12/665696112.db2.gz WDKYPIRTKOADFS-UHFFFAOYSA-N 1 3 317.437 0.960 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001027068719 659755496 /nfs/dbraw/zinc/75/54/96/659755496.db2.gz BZUNYOOJJZFEDN-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001026043462 659758763 /nfs/dbraw/zinc/75/87/63/659758763.db2.gz YNITXIDQVRXSTI-OCABDXPQSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001026043462 659758768 /nfs/dbraw/zinc/75/87/68/659758768.db2.gz YNITXIDQVRXSTI-OCABDXPQSA-N 1 3 321.465 0.944 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCn3cccn3)CC2(C)C)C1 ZINC000977593572 659773883 /nfs/dbraw/zinc/77/38/83/659773883.db2.gz BTNRPVOOAVHCKT-CABCVRRESA-N 1 3 319.453 0.661 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCn3cccn3)CC2(C)C)C1 ZINC000977593572 659773886 /nfs/dbraw/zinc/77/38/86/659773886.db2.gz BTNRPVOOAVHCKT-CABCVRRESA-N 1 3 319.453 0.661 20 0 DCADHO CN1CCC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091086 659797306 /nfs/dbraw/zinc/79/73/06/659797306.db2.gz CZJPXAJRLVDFCR-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1)C1CC1 ZINC000982296163 661343222 /nfs/dbraw/zinc/34/32/22/661343222.db2.gz LMPJDGLGNZKLJL-OIISXLGYSA-N 1 3 309.454 0.489 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1)C1CC1 ZINC000982296163 661343223 /nfs/dbraw/zinc/34/32/23/661343223.db2.gz LMPJDGLGNZKLJL-OIISXLGYSA-N 1 3 309.454 0.489 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779077 661821429 /nfs/dbraw/zinc/82/14/29/661821429.db2.gz UHTZLLBNGQBDNI-GXTWGEPZSA-N 1 3 310.442 0.030 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001028987099 661921957 /nfs/dbraw/zinc/92/19/57/661921957.db2.gz VIBWOOUGWVQWSP-HZPDHXFCSA-N 1 3 302.422 0.971 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(Cc3cccnc3)C2)C1 ZINC001028987099 661921958 /nfs/dbraw/zinc/92/19/58/661921958.db2.gz VIBWOOUGWVQWSP-HZPDHXFCSA-N 1 3 302.422 0.971 20 0 DCADHO CN(CCCN(C)Cc1cnc2n1CCOC2)CC[NH+](C)C ZINC000894524195 661978311 /nfs/dbraw/zinc/97/83/11/661978311.db2.gz UVEHJHDDHQPMGM-UHFFFAOYSA-N 1 3 309.458 0.729 20 0 DCADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000895667091 662205155 /nfs/dbraw/zinc/20/51/55/662205155.db2.gz YQCVSWYUEAFCJF-UONOGXRCSA-N 1 3 316.446 0.273 20 0 DCADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000895667091 662205156 /nfs/dbraw/zinc/20/51/56/662205156.db2.gz YQCVSWYUEAFCJF-UONOGXRCSA-N 1 3 316.446 0.273 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC000896619071 662300327 /nfs/dbraw/zinc/30/03/27/662300327.db2.gz SQKZVHKNPUGZLZ-TUVASFSCSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC000896619071 662300329 /nfs/dbraw/zinc/30/03/29/662300329.db2.gz SQKZVHKNPUGZLZ-TUVASFSCSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896749551 662310198 /nfs/dbraw/zinc/31/01/98/662310198.db2.gz RWDXUDUPGMORRI-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896749551 662310200 /nfs/dbraw/zinc/31/02/00/662310200.db2.gz RWDXUDUPGMORRI-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC000984801110 662316443 /nfs/dbraw/zinc/31/64/43/662316443.db2.gz ZDNOLDGQFUISNW-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000985120265 662368906 /nfs/dbraw/zinc/36/89/06/662368906.db2.gz PTOILDFYWNBGBL-IHRRRGAJSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000985120265 662368908 /nfs/dbraw/zinc/36/89/08/662368908.db2.gz PTOILDFYWNBGBL-IHRRRGAJSA-N 1 3 305.426 0.356 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC000985119112 662369836 /nfs/dbraw/zinc/36/98/36/662369836.db2.gz HDFHOFRJSBANHT-IHRRRGAJSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC000985119112 662369837 /nfs/dbraw/zinc/36/98/37/662369837.db2.gz HDFHOFRJSBANHT-IHRRRGAJSA-N 1 3 306.410 0.919 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCn2cccn2)CC1 ZINC000985332309 662411458 /nfs/dbraw/zinc/41/14/58/662411458.db2.gz LUONGKAJUDDEMT-MRXNPFEDSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCn2cccn2)CC1 ZINC000985332309 662411459 /nfs/dbraw/zinc/41/14/59/662411459.db2.gz LUONGKAJUDDEMT-MRXNPFEDSA-N 1 3 319.453 0.900 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1)C1CC1 ZINC000985470152 662463586 /nfs/dbraw/zinc/46/35/86/662463586.db2.gz MEHZDHPFOZJRDK-LSDHHAIUSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1)C1CC1 ZINC000985470152 662463587 /nfs/dbraw/zinc/46/35/87/662463587.db2.gz MEHZDHPFOZJRDK-LSDHHAIUSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985802379 662515171 /nfs/dbraw/zinc/51/51/71/662515171.db2.gz RIIYFPIBJOSNSQ-STQMWFEESA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)CN(C)C1CCC1 ZINC000986352141 662585186 /nfs/dbraw/zinc/58/51/86/662585186.db2.gz GBSRFWQZBLEOIA-ZFWWWQNUSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000987189279 662652237 /nfs/dbraw/zinc/65/22/37/662652237.db2.gz DRYKLMBEMUQSLX-SWLSCSKDSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000897507759 662796187 /nfs/dbraw/zinc/79/61/87/662796187.db2.gz GJGASYXBLXGQET-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000897507759 662796188 /nfs/dbraw/zinc/79/61/88/662796188.db2.gz GJGASYXBLXGQET-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000937978070 662847492 /nfs/dbraw/zinc/84/74/92/662847492.db2.gz HSILRBUHXBROOF-KKUMJFAQSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000937978070 662847493 /nfs/dbraw/zinc/84/74/93/662847493.db2.gz HSILRBUHXBROOF-KKUMJFAQSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000937978072 662847600 /nfs/dbraw/zinc/84/76/00/662847600.db2.gz HSILRBUHXBROOF-SOUVJXGZSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000937978072 662847602 /nfs/dbraw/zinc/84/76/02/662847602.db2.gz HSILRBUHXBROOF-SOUVJXGZSA-N 1 3 324.469 0.241 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000729504088 662892141 /nfs/dbraw/zinc/89/21/41/662892141.db2.gz GJXAHXHEXMHKNN-CABCVRRESA-N 1 3 312.458 0.879 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000729504088 662892142 /nfs/dbraw/zinc/89/21/42/662892142.db2.gz GJXAHXHEXMHKNN-CABCVRRESA-N 1 3 312.458 0.879 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989801239 662978194 /nfs/dbraw/zinc/97/81/94/662978194.db2.gz ZSFBWVWNYNFTAL-CJNGLKHVSA-N 1 3 319.453 0.903 20 0 DCADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000990276451 663028164 /nfs/dbraw/zinc/02/81/64/663028164.db2.gz JHTFBLGSSBQNPK-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000899731730 663178335 /nfs/dbraw/zinc/17/83/35/663178335.db2.gz IIIMERZATBEXGO-KRWDZBQOSA-N 1 3 319.449 0.939 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000899731730 663178337 /nfs/dbraw/zinc/17/83/37/663178337.db2.gz IIIMERZATBEXGO-KRWDZBQOSA-N 1 3 319.449 0.939 20 0 DCADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[N@H+](C)CCO)cc1 ZINC000899740129 663185660 /nfs/dbraw/zinc/18/56/60/663185660.db2.gz DSYJQPZEOFUTHB-INIZCTEOSA-N 1 3 323.437 0.775 20 0 DCADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[N@@H+](C)CCO)cc1 ZINC000899740129 663185661 /nfs/dbraw/zinc/18/56/61/663185661.db2.gz DSYJQPZEOFUTHB-INIZCTEOSA-N 1 3 323.437 0.775 20 0 DCADHO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900208795 663225833 /nfs/dbraw/zinc/22/58/33/663225833.db2.gz MSWZZUNHNRXXEV-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900208795 663225834 /nfs/dbraw/zinc/22/58/34/663225834.db2.gz MSWZZUNHNRXXEV-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)c1ccnn1CC[NH+](C)C ZINC000900578404 663256501 /nfs/dbraw/zinc/25/65/01/663256501.db2.gz LUDFGUPJKZKADA-CQSZACIVSA-N 1 3 323.441 0.285 20 0 DCADHO COCCN1CCC[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900605745 663260319 /nfs/dbraw/zinc/26/03/19/663260319.db2.gz LNGVWXDSYPTVLB-GDBMZVCRSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CCC[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900605745 663260320 /nfs/dbraw/zinc/26/03/20/663260320.db2.gz LNGVWXDSYPTVLB-GDBMZVCRSA-N 1 3 313.442 0.060 20 0 DCADHO [NH3+]C[C@H]1CCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903423363 663455073 /nfs/dbraw/zinc/45/50/73/663455073.db2.gz SSKRLFRJRUHVII-CYBMUJFWSA-N 1 3 317.389 0.580 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903746890 663476825 /nfs/dbraw/zinc/47/68/25/663476825.db2.gz MYOBVWOAQDGXBX-ZQDZILKHSA-N 1 3 311.426 0.110 20 0 DCADHO CN1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCC1(C)C ZINC000903777139 663483809 /nfs/dbraw/zinc/48/38/09/663483809.db2.gz SIQHQAFSHAQCIU-GFCCVEGCSA-N 1 3 310.442 0.125 20 0 DCADHO Cn1nnnc1C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903779761 663484082 /nfs/dbraw/zinc/48/40/82/663484082.db2.gz ABVWXOPUFYBRBG-CQSZACIVSA-N 1 3 320.441 0.548 20 0 DCADHO Cn1nnnc1C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780515 663484200 /nfs/dbraw/zinc/48/42/00/663484200.db2.gz HUNJPSKHWMARGV-UKRRQHHQSA-N 1 3 306.414 0.158 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000903781577 663484277 /nfs/dbraw/zinc/48/42/77/663484277.db2.gz WJGAMXRUADEESS-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CNC(=O)[C@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892392 663490243 /nfs/dbraw/zinc/49/02/43/663490243.db2.gz ILLWAWKCASUKHE-KGLIPLIRSA-N 1 3 307.442 0.304 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878854 663491941 /nfs/dbraw/zinc/49/19/41/663491941.db2.gz LQTOUGVCJMZBBA-ZBSSRIJBSA-N 1 3 320.481 0.802 20 0 DCADHO COC(=O)[C@@H]1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)[C@@H]1C ZINC000903916956 663497402 /nfs/dbraw/zinc/49/74/02/663497402.db2.gz WTTGRRVIVHWCOE-UMVBOHGHSA-N 1 3 308.426 0.729 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)C2(O)CCCC2)CCCO1 ZINC000905229877 663539822 /nfs/dbraw/zinc/53/98/22/663539822.db2.gz CKKRTYVRJSWLEB-HUUCEWRRSA-N 1 3 300.443 0.743 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)C2(O)CCCC2)CCCO1 ZINC000905229877 663539823 /nfs/dbraw/zinc/53/98/23/663539823.db2.gz CKKRTYVRJSWLEB-HUUCEWRRSA-N 1 3 300.443 0.743 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001000991557 665976621 /nfs/dbraw/zinc/97/66/21/665976621.db2.gz HTMXREDEZQMZLZ-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906663734 663628087 /nfs/dbraw/zinc/62/80/87/663628087.db2.gz GHEAKMQDHORRHD-UHFFFAOYSA-N 1 3 304.394 0.638 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000906698221 663632857 /nfs/dbraw/zinc/63/28/57/663632857.db2.gz UQFKGHZHQDZZQJ-UHFFFAOYSA-N 1 3 304.394 0.603 20 0 DCADHO CC(C)[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)N(C)C ZINC000909318098 663792541 /nfs/dbraw/zinc/79/25/41/663792541.db2.gz CTQUWSLBVWALKE-OAHLLOKOSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)N1CCCCC1 ZINC000910947204 663961373 /nfs/dbraw/zinc/96/13/73/663961373.db2.gz VLTJXDWISXPRCA-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911030423 663973849 /nfs/dbraw/zinc/97/38/49/663973849.db2.gz VYQZYHCOOJIVME-LJISPDSOSA-N 1 3 324.469 0.276 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911029310 663973915 /nfs/dbraw/zinc/97/39/15/663973915.db2.gz MHQYIBDXTSZYKV-GZBLMMOJSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CCC(C)CC1 ZINC000911091134 663980859 /nfs/dbraw/zinc/98/08/59/663980859.db2.gz OFCLNFOXRLTSCS-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911161555 663995563 /nfs/dbraw/zinc/99/55/63/663995563.db2.gz LVKVYKCRYYWLFV-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911162175 663995686 /nfs/dbraw/zinc/99/56/86/663995686.db2.gz QURFQBZUDPOZNC-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000911324459 664028193 /nfs/dbraw/zinc/02/81/93/664028193.db2.gz CZCDFURJWULIMQ-MELADBBJSA-N 1 3 308.426 0.069 20 0 DCADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911325923 664028447 /nfs/dbraw/zinc/02/84/47/664028447.db2.gz XXIQAWNDLCXNOG-XPABHHOTSA-N 1 3 320.437 0.129 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911333449 664029898 /nfs/dbraw/zinc/02/98/98/664029898.db2.gz TUAJMDCSONIKJP-BYNSBNAKSA-N 1 3 322.453 0.232 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000911336512 664030969 /nfs/dbraw/zinc/03/09/69/664030969.db2.gz JXPLFYAJCGLPSX-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911379844 664041311 /nfs/dbraw/zinc/04/13/11/664041311.db2.gz NWZWQJHYPWFUPW-QLFBSQMISA-N 1 3 322.453 0.045 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000911532056 664069897 /nfs/dbraw/zinc/06/98/97/664069897.db2.gz JPUVDDBGZRVPKC-AWEZNQCLSA-N 1 3 324.469 0.422 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000911534627 664071244 /nfs/dbraw/zinc/07/12/44/664071244.db2.gz VRALQGKQKJDLIW-INIZCTEOSA-N 1 3 310.442 0.032 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000911544163 664075522 /nfs/dbraw/zinc/07/55/22/664075522.db2.gz GZUGUCYFLTVNGE-CABCVRRESA-N 1 3 324.469 0.687 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC000911544163 664075524 /nfs/dbraw/zinc/07/55/24/664075524.db2.gz GZUGUCYFLTVNGE-CABCVRRESA-N 1 3 324.469 0.687 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCC[C@H](C)C1 ZINC000911546227 664076023 /nfs/dbraw/zinc/07/60/23/664076023.db2.gz OVLXQUSIRAEFBV-VYDRJRHOSA-N 1 3 322.453 0.232 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564983 664082523 /nfs/dbraw/zinc/08/25/23/664082523.db2.gz XNXBDTAGCKIFJN-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913275151 664296190 /nfs/dbraw/zinc/29/61/90/664296190.db2.gz SSXURNHEXFAGST-CALCHBBNSA-N 1 3 319.453 0.859 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913275151 664296192 /nfs/dbraw/zinc/29/61/92/664296192.db2.gz SSXURNHEXFAGST-CALCHBBNSA-N 1 3 319.453 0.859 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991724279 664532199 /nfs/dbraw/zinc/53/21/99/664532199.db2.gz UGRKTDDBIXFBFM-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991724279 664532200 /nfs/dbraw/zinc/53/22/00/664532200.db2.gz UGRKTDDBIXFBFM-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958715 664638273 /nfs/dbraw/zinc/63/82/73/664638273.db2.gz WMDVGILKOPUKLA-SLORLYHESA-N 1 3 319.449 0.983 20 0 DCADHO CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958715 664638274 /nfs/dbraw/zinc/63/82/74/664638274.db2.gz WMDVGILKOPUKLA-SLORLYHESA-N 1 3 319.449 0.983 20 0 DCADHO O=C(N[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008455 664647510 /nfs/dbraw/zinc/64/75/10/664647510.db2.gz CWIUKAXRVYFYOU-RYRKJORJSA-N 1 3 321.465 0.966 20 0 DCADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CCO)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008455 664647511 /nfs/dbraw/zinc/64/75/11/664647511.db2.gz CWIUKAXRVYFYOU-RYRKJORJSA-N 1 3 321.465 0.966 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCN1C ZINC000919405056 665214135 /nfs/dbraw/zinc/21/41/35/665214135.db2.gz XOTWSWVNPAWAMP-YCPHGPKFSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730328 665360537 /nfs/dbraw/zinc/36/05/37/665360537.db2.gz KCXMHYDRSUVCBG-XJKSGUPXSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730328 665360539 /nfs/dbraw/zinc/36/05/39/665360539.db2.gz KCXMHYDRSUVCBG-XJKSGUPXSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC000998040326 665391044 /nfs/dbraw/zinc/39/10/44/665391044.db2.gz QIIQIOVZQWSPAY-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000998085415 665397651 /nfs/dbraw/zinc/39/76/51/665397651.db2.gz FWJSTNCSJXHZPT-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1CCN(C2CN(CC3CC3)C2)CC1)C1CC1 ZINC000941437343 665998724 /nfs/dbraw/zinc/99/87/24/665998724.db2.gz YUYLUOUTKXYHSF-KRWDZBQOSA-N 1 3 320.481 0.565 20 0 DCADHO CCN1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941475294 666005302 /nfs/dbraw/zinc/00/53/02/666005302.db2.gz OFGBSTYAJMKIQP-UHFFFAOYSA-N 1 3 313.405 0.796 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C2CN(CC3CC3)C2)CC1)[NH+](C)C ZINC000941552639 666019215 /nfs/dbraw/zinc/01/92/15/666019215.db2.gz KAGUALNYUJSFSX-QGZVFWFLSA-N 1 3 322.497 0.811 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567002 666023747 /nfs/dbraw/zinc/02/37/47/666023747.db2.gz NZGCQVHFIKBCIU-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567002 666023749 /nfs/dbraw/zinc/02/37/49/666023749.db2.gz NZGCQVHFIKBCIU-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000941687562 666042521 /nfs/dbraw/zinc/04/25/21/666042521.db2.gz CTWBTTOHXHZXHT-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858371 666071369 /nfs/dbraw/zinc/07/13/69/666071369.db2.gz OLEZKUDFUVJHAQ-BBRMVZONSA-N 1 3 305.422 0.933 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001032205730 666440610 /nfs/dbraw/zinc/44/06/10/666440610.db2.gz GWSHPACELQJDIC-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995802016 666707953 /nfs/dbraw/zinc/70/79/53/666707953.db2.gz MPBOGBKACKPSTC-OLZOCXBDSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995802016 666707956 /nfs/dbraw/zinc/70/79/56/666707956.db2.gz MPBOGBKACKPSTC-OLZOCXBDSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]([NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C)C(N)=O ZINC000995916606 666721938 /nfs/dbraw/zinc/72/19/38/666721938.db2.gz IXZGLXGUWDHPKB-YPMHNXCESA-N 1 3 310.442 0.171 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996191671 666746911 /nfs/dbraw/zinc/74/69/11/666746911.db2.gz PINNSMMQZUQBRX-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996191671 666746913 /nfs/dbraw/zinc/74/69/13/666746913.db2.gz PINNSMMQZUQBRX-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033596361 666767743 /nfs/dbraw/zinc/76/77/43/666767743.db2.gz YQLUDIXJYZKKRQ-OAHLLOKOSA-N 1 3 317.437 0.512 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033659946 666791064 /nfs/dbraw/zinc/79/10/64/666791064.db2.gz FWGNPGJZDDKJTI-CVEARBPZSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033659946 666791067 /nfs/dbraw/zinc/79/10/67/666791067.db2.gz FWGNPGJZDDKJTI-CVEARBPZSA-N 1 3 319.453 0.447 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996679843 666858699 /nfs/dbraw/zinc/85/86/99/666858699.db2.gz QXIBECLFVWTDRH-MRXNPFEDSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000861644018 666953218 /nfs/dbraw/zinc/95/32/18/666953218.db2.gz SYIAOAHWFPKERW-HOCLYGCPSA-N 1 3 318.421 0.239 20 0 DCADHO COCCN1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034209421 666955554 /nfs/dbraw/zinc/95/55/54/666955554.db2.gz AYDHWZJKMDYUBQ-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034239261 666964343 /nfs/dbraw/zinc/96/43/43/666964343.db2.gz TWUAJAFFNRFJHG-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034239261 666964344 /nfs/dbraw/zinc/96/43/44/666964344.db2.gz TWUAJAFFNRFJHG-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H](O)CN1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290055 666979423 /nfs/dbraw/zinc/97/94/23/666979423.db2.gz FIGHTRQYKRRJKW-HUUCEWRRSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996996184 667062542 /nfs/dbraw/zinc/06/25/42/667062542.db2.gz VUWWIYSRFRNZCT-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034643474 667088902 /nfs/dbraw/zinc/08/89/02/667088902.db2.gz WCLJCUXRMUHYNZ-AJNGGQMLSA-N 1 3 324.469 0.750 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001034734814 667128237 /nfs/dbraw/zinc/12/82/37/667128237.db2.gz ZYTCIKBJANFWTP-CRWXNKLISA-N 1 3 310.442 0.219 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034882381 667168318 /nfs/dbraw/zinc/16/83/18/667168318.db2.gz WKLJWGCFGYNJNA-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000863774021 667181267 /nfs/dbraw/zinc/18/12/67/667181267.db2.gz NUGCMUXOZCJLTG-ZDUSSCGKSA-N 1 3 324.425 0.366 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001035014508 667215589 /nfs/dbraw/zinc/21/55/89/667215589.db2.gz WHRNDCWPWVSKHS-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000997604517 667346192 /nfs/dbraw/zinc/34/61/92/667346192.db2.gz BBSIYDNOWHTABQ-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997605288 667346588 /nfs/dbraw/zinc/34/65/88/667346588.db2.gz GCFKGQGLFMSIPB-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCOc2ccccc2)C1 ZINC000866706318 667388848 /nfs/dbraw/zinc/38/88/48/667388848.db2.gz BALOLPIHOMEKLI-CWRNSKLLSA-N 1 3 317.389 0.932 20 0 DCADHO O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035815021 667413054 /nfs/dbraw/zinc/41/30/54/667413054.db2.gz XUEKRWNRSMXHSX-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035815021 667413055 /nfs/dbraw/zinc/41/30/55/667413055.db2.gz XUEKRWNRSMXHSX-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C2)CC1 ZINC001036222653 667432791 /nfs/dbraw/zinc/43/27/91/667432791.db2.gz BMVUTVAPHAKZDG-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000884234767 667506187 /nfs/dbraw/zinc/50/61/87/667506187.db2.gz COSAIQICWXVJNO-LSDHHAIUSA-N 1 3 312.502 0.996 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884235369 667506912 /nfs/dbraw/zinc/50/69/12/667506912.db2.gz SSUMUUSIKDLNHV-HUUCEWRRSA-N 1 3 310.486 0.622 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884312060 667521320 /nfs/dbraw/zinc/52/13/20/667521320.db2.gz VCHDIYRYXFNFDW-AWEZNQCLSA-N 1 3 311.426 0.505 20 0 DCADHO N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884339797 667527930 /nfs/dbraw/zinc/52/79/30/667527930.db2.gz XIEWHXBCBZVYLL-GXTWGEPZSA-N 1 3 302.378 0.142 20 0 DCADHO COCC[C@@H](N)C(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000884450226 667547515 /nfs/dbraw/zinc/54/75/15/667547515.db2.gz BKJFIFDZNAIFNY-CQSZACIVSA-N 1 3 301.431 0.167 20 0 DCADHO CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CCN(CCO)CC1 ZINC001006120776 667551390 /nfs/dbraw/zinc/55/13/90/667551390.db2.gz RNKAZHVXQXIHBA-CVEARBPZSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CCN(CCO)CC1 ZINC001006120776 667551391 /nfs/dbraw/zinc/55/13/91/667551391.db2.gz RNKAZHVXQXIHBA-CVEARBPZSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884577786 667569360 /nfs/dbraw/zinc/56/93/60/667569360.db2.gz MAOZZIDPOFIFTB-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868418931 667569982 /nfs/dbraw/zinc/56/99/82/667569982.db2.gz SLECCXFWMSOSOD-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC1(C)C ZINC000884685255 667589690 /nfs/dbraw/zinc/58/96/90/667589690.db2.gz BXRQKWPLEYOMKV-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884720509 667599196 /nfs/dbraw/zinc/59/91/96/667599196.db2.gz OLTMMNOZDSDDHS-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884786380 667607199 /nfs/dbraw/zinc/60/71/99/667607199.db2.gz POXWJBOALSDTLF-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884785616 667607453 /nfs/dbraw/zinc/60/74/53/667607453.db2.gz AMUVKSLYYZUNLQ-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO CCN(CC)CCN(CCOC)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923607195 667636918 /nfs/dbraw/zinc/63/69/18/667636918.db2.gz XWHOBPLQTLAPJR-CQSZACIVSA-N 1 3 321.487 0.358 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000838301247 667684616 /nfs/dbraw/zinc/68/46/16/667684616.db2.gz AIZWZCXWDNSNRL-ARFHVFGLSA-N 1 3 324.469 0.974 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000838301247 667684617 /nfs/dbraw/zinc/68/46/17/667684617.db2.gz AIZWZCXWDNSNRL-ARFHVFGLSA-N 1 3 324.469 0.974 20 0 DCADHO CN1CCN(C2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)CC1 ZINC000870981450 667780222 /nfs/dbraw/zinc/78/02/22/667780222.db2.gz KJJOTFXRJMBARX-UHFFFAOYSA-N 1 3 308.470 0.744 20 0 DCADHO CN1CCN(C(=O)CCN2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000886874653 667812029 /nfs/dbraw/zinc/81/20/29/667812029.db2.gz SOWSDIHJHYJVIL-KRWDZBQOSA-N 1 3 308.470 0.616 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@H]([C@H]3CCCO3)C2)C1=O ZINC000887306139 667867964 /nfs/dbraw/zinc/86/79/64/667867964.db2.gz KGQWCEZTUPYOJC-SOUVJXGZSA-N 1 3 323.437 0.567 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=[NH2+])NCC(F)F ZINC000887352917 667875586 /nfs/dbraw/zinc/87/55/86/667875586.db2.gz TXXUEDUTMCJFOG-JTQLQIEISA-N 1 3 305.373 0.308 20 0 DCADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889756449 667991769 /nfs/dbraw/zinc/99/17/69/667991769.db2.gz MZDWEURVFYQRSU-IRXDYDNUSA-N 1 3 321.465 0.918 20 0 DCADHO CS(=O)(=O)N1CC[C@@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873214156 668065950 /nfs/dbraw/zinc/06/59/50/668065950.db2.gz ZJMMLNLFYBTPML-LLVKDONJSA-N 1 3 315.464 0.517 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000873242385 668067977 /nfs/dbraw/zinc/06/79/77/668067977.db2.gz BAYULGGNXQHNEF-BLLLJJGKSA-N 1 3 300.410 0.814 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)C12CCC[NH+](CCC1)C2 ZINC000874253571 668162399 /nfs/dbraw/zinc/16/23/99/668162399.db2.gz SBQGICMJWKBKBQ-GJZGRUSLSA-N 1 3 307.438 0.842 20 0 DCADHO C[N@@H+]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC1(C)C ZINC000875236045 668286080 /nfs/dbraw/zinc/28/60/80/668286080.db2.gz ARSPSUDPUSOFED-CABCVRRESA-N 1 3 324.469 0.975 20 0 DCADHO C[N@H+]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCC1(C)C ZINC000875236045 668286085 /nfs/dbraw/zinc/28/60/85/668286085.db2.gz ARSPSUDPUSOFED-CABCVRRESA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000925292162 668290121 /nfs/dbraw/zinc/29/01/21/668290121.db2.gz IVRPAHAXOZXKIA-KGLIPLIRSA-N 1 3 308.426 0.877 20 0 DCADHO CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000925292162 668290123 /nfs/dbraw/zinc/29/01/23/668290123.db2.gz IVRPAHAXOZXKIA-KGLIPLIRSA-N 1 3 308.426 0.877 20 0 DCADHO CN(C)S(=O)(=O)C1(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925776068 668347601 /nfs/dbraw/zinc/34/76/01/668347601.db2.gz VIRHEOVXQFRPBJ-NWDGAFQWSA-N 1 3 303.472 0.906 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926329111 668395007 /nfs/dbraw/zinc/39/50/07/668395007.db2.gz VZIVWLFLTKRAAT-QGZVFWFLSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876738930 668499019 /nfs/dbraw/zinc/49/90/19/668499019.db2.gz AOIOGRHPTQIHRD-PMPSAXMXSA-N 1 3 310.486 0.988 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876738930 668499025 /nfs/dbraw/zinc/49/90/25/668499025.db2.gz AOIOGRHPTQIHRD-PMPSAXMXSA-N 1 3 310.486 0.988 20 0 DCADHO COC[C@]1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCC[NH2+]1 ZINC000876743453 668500296 /nfs/dbraw/zinc/50/02/96/668500296.db2.gz CSTNMEVUTAELDR-DZKIICNBSA-N 1 3 311.426 0.125 20 0 DCADHO COCCN(C)CCNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876746141 668500717 /nfs/dbraw/zinc/50/07/17/668500717.db2.gz TYWCGKYBXUQFBX-CQSZACIVSA-N 1 3 323.441 0.424 20 0 DCADHO CC1(C)[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000876752627 668501880 /nfs/dbraw/zinc/50/18/80/668501880.db2.gz VHMZILZKYRJSAT-KBPBESRZSA-N 1 3 322.453 0.126 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000927926786 668533364 /nfs/dbraw/zinc/53/33/64/668533364.db2.gz IIVQVAWTIQINDB-OCCSQVGLSA-N 1 3 318.421 0.930 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000876957223 668542308 /nfs/dbraw/zinc/54/23/08/668542308.db2.gz UZIHIROIDPIKNR-ZDUSSCGKSA-N 1 3 305.426 0.731 20 0 DCADHO CCC[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCN1CCOC ZINC000766972783 668555638 /nfs/dbraw/zinc/55/56/38/668555638.db2.gz KSSQNOHMIZFSSU-IAGOWNOFSA-N 1 3 313.486 0.876 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206700 668575853 /nfs/dbraw/zinc/57/58/53/668575853.db2.gz MDQVXBNIMLILFK-CQSZACIVSA-N 1 3 314.393 0.340 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000877246840 668582786 /nfs/dbraw/zinc/58/27/86/668582786.db2.gz RFNXADKOWDIPDM-APIJFGDWSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000928449345 668585813 /nfs/dbraw/zinc/58/58/13/668585813.db2.gz QCPPAPOFOFRKQZ-UWWQBHOKSA-N 1 3 317.433 0.832 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000928449345 668585816 /nfs/dbraw/zinc/58/58/16/668585816.db2.gz QCPPAPOFOFRKQZ-UWWQBHOKSA-N 1 3 317.433 0.832 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343337 668605193 /nfs/dbraw/zinc/60/51/93/668605193.db2.gz KRXNSZDYILUPOM-UONOGXRCSA-N 1 3 305.378 0.098 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1Cc2ccccc2CN1 ZINC000877346465 668606516 /nfs/dbraw/zinc/60/65/16/668606516.db2.gz LBAHENOPZKFLIC-CVEARBPZSA-N 1 3 303.406 0.586 20 0 DCADHO CC(C)N1CCN(CCC[NH+]2CCC(CO)(CO)CC2)CC1 ZINC000879970836 669137152 /nfs/dbraw/zinc/13/71/52/669137152.db2.gz FBETURAOUUIASW-UHFFFAOYSA-N 1 3 313.486 0.469 20 0 DCADHO O[C@@H](C[NH+]1CCC(N2CCCOCC2)CC1)CC1(O)CCC1 ZINC000931285656 669173887 /nfs/dbraw/zinc/17/38/87/669173887.db2.gz RNICXIWQANRBEJ-MRXNPFEDSA-N 1 3 312.454 0.839 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCN(C4CCOCC4)C3=O)C[C@@H]2C1 ZINC000931436005 669203433 /nfs/dbraw/zinc/20/34/33/669203433.db2.gz PHEHQIDIOAKLNF-IJEWVQPXSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@@H]2CN([C@@H]3CCN(C4CCOCC4)C3=O)C[C@@H]2C1 ZINC000931436005 669203437 /nfs/dbraw/zinc/20/34/37/669203437.db2.gz PHEHQIDIOAKLNF-IJEWVQPXSA-N 1 3 307.438 0.650 20 0 DCADHO CO[C@H]1COCC[C@@H]1N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000883461002 669692267 /nfs/dbraw/zinc/69/22/67/669692267.db2.gz LWZBRDFLDFHXRQ-QAETUUGQSA-N 1 3 308.422 0.653 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883653998 669726667 /nfs/dbraw/zinc/72/66/67/669726667.db2.gz PUYKOAKJKQXUAF-UHFFFAOYSA-N 1 3 324.469 0.659 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N1CCCCC1 ZINC000793703915 669735508 /nfs/dbraw/zinc/73/55/08/669735508.db2.gz ZOVDIHKGDGMKFL-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CCN(CC(C)C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000040861120 669822517 /nfs/dbraw/zinc/82/25/17/669822517.db2.gz SLIFNBQJYWGKQC-UHFFFAOYSA-N 1 3 320.503 0.436 20 0 DCADHO COC(=O)CNC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179024 670047504 /nfs/dbraw/zinc/04/75/04/670047504.db2.gz YPWJGUMLVVCNLX-CYBMUJFWSA-N 1 3 311.426 0.472 20 0 DCADHO CC[C@@H](C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1)N(C)C ZINC000949191352 670284247 /nfs/dbraw/zinc/28/42/47/670284247.db2.gz LPRZSAGEVGTUKN-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000811874661 670554164 /nfs/dbraw/zinc/55/41/64/670554164.db2.gz FFMWEJKOONKSIX-QLFBSQMISA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000811874661 670554169 /nfs/dbraw/zinc/55/41/69/670554169.db2.gz FFMWEJKOONKSIX-QLFBSQMISA-N 1 3 312.458 0.878 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCC[NH+](C)C)cn1 ZINC000849482562 670809801 /nfs/dbraw/zinc/80/98/01/670809801.db2.gz RQVWFIIASCLNFI-LSDHHAIUSA-N 1 3 307.442 0.523 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849541277 670814616 /nfs/dbraw/zinc/81/46/16/670814616.db2.gz MRZXLCCESOIXRF-BMFZPTHFSA-N 1 3 321.469 0.912 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000851658081 671005743 /nfs/dbraw/zinc/00/57/43/671005743.db2.gz SXERUDSNJLNQGL-ZYHUDNBSSA-N 1 3 322.413 0.313 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852864780 671178858 /nfs/dbraw/zinc/17/88/58/671178858.db2.gz HZGWJYLHCGYSLB-HNNXBMFYSA-N 1 3 322.453 0.355 20 0 DCADHO CN1CC[NH+](CC2(C)CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000821903456 671298386 /nfs/dbraw/zinc/29/83/86/671298386.db2.gz YDFCHPFAXSXPQR-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1OCCO[C@@H]1C ZINC000824826451 671440964 /nfs/dbraw/zinc/44/09/64/671440964.db2.gz IPLGSEJFWBXTQM-BFHYXJOUSA-N 1 3 301.431 0.179 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1OCCO[C@@H]1C ZINC000824826451 671440965 /nfs/dbraw/zinc/44/09/65/671440965.db2.gz IPLGSEJFWBXTQM-BFHYXJOUSA-N 1 3 301.431 0.179 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CCCCC1 ZINC000827473747 671529107 /nfs/dbraw/zinc/52/91/07/671529107.db2.gz MADXNUVQXPNTFH-CYBMUJFWSA-N 1 3 308.430 0.621 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)[nH]1 ZINC000834642417 671774768 /nfs/dbraw/zinc/77/47/68/671774768.db2.gz RCLUWOQDOHEECK-GFCCVEGCSA-N 1 3 300.366 0.996 20 0 DCADHO CCN(CCO)CCNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841280473 671924821 /nfs/dbraw/zinc/92/48/21/671924821.db2.gz BIMFAOBUPDJIAR-UHFFFAOYSA-N 1 3 310.398 0.460 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000841791233 671956222 /nfs/dbraw/zinc/95/62/22/671956222.db2.gz QKNYMPCAQOCXQG-KBPBESRZSA-N 1 3 310.442 0.810 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000841801341 671956803 /nfs/dbraw/zinc/95/68/03/671956803.db2.gz RKITWXGLDMZLBS-HNNXBMFYSA-N 1 3 324.469 0.882 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842014506 671974128 /nfs/dbraw/zinc/97/41/28/671974128.db2.gz CJDLNGISYJSBHA-RDBSUJKOSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842015958 671974729 /nfs/dbraw/zinc/97/47/29/671974729.db2.gz PQQCHJCHAMIOJP-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC000842015939 671974766 /nfs/dbraw/zinc/97/47/66/671974766.db2.gz PJOMDTAANQTGJK-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000842015856 671974771 /nfs/dbraw/zinc/97/47/71/671974771.db2.gz PBHQPDGVHGJXEM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000842175717 671989208 /nfs/dbraw/zinc/98/92/08/671989208.db2.gz VLFIGNBSWDIDHR-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000842175719 671989357 /nfs/dbraw/zinc/98/93/57/671989357.db2.gz VLFIGNBSWDIDHR-YOEHRIQHSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842229704 671997570 /nfs/dbraw/zinc/99/75/70/671997570.db2.gz LYVLBSRJHYVYSB-CQSZACIVSA-N 1 3 320.437 0.083 20 0 DCADHO COCCS(=O)(=O)CCCN[C@H](C[NH3+])C1CCCCC1 ZINC000842476204 672014073 /nfs/dbraw/zinc/01/40/73/672014073.db2.gz JBIOXNABJJTYNO-CQSZACIVSA-N 1 3 306.472 0.935 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCCCCC[NH3+])N1CCCCC1 ZINC000843259040 672075773 /nfs/dbraw/zinc/07/57/73/672075773.db2.gz HYBUIKFICTVLNE-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO C[C@H]1COCCN1C1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000846913862 672352736 /nfs/dbraw/zinc/35/27/36/672352736.db2.gz VMCMTLQZGZPFTQ-RDJZCZTQSA-N 1 3 311.470 0.628 20 0 DCADHO CN(C)C1(CNC(=[NH2+])NCCCN2CCOCC2)CCCC1 ZINC000848981207 685370175 /nfs/dbraw/zinc/37/01/75/685370175.db2.gz CAALBTYUWQJHOT-UHFFFAOYSA-N 1 3 311.474 0.697 20 0 DCADHO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000870881108 685389948 /nfs/dbraw/zinc/38/99/48/685389948.db2.gz CVHUDVYMNGYSNJ-GASCZTMLSA-N 1 3 322.453 0.271 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000953899657 685893284 /nfs/dbraw/zinc/89/32/84/685893284.db2.gz LOEXIZQTIFUZQN-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000953899657 685893286 /nfs/dbraw/zinc/89/32/86/685893286.db2.gz LOEXIZQTIFUZQN-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954665448 686093549 /nfs/dbraw/zinc/09/35/49/686093549.db2.gz PGQRVQOOZYVGKF-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC2(CC1)CC[NH+](CCO)CC2 ZINC000957613328 687086300 /nfs/dbraw/zinc/08/63/00/687086300.db2.gz WDVWMXDUFUFDIH-UHFFFAOYSA-N 1 3 306.410 0.649 20 0 DCADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534872 694109454 /nfs/dbraw/zinc/10/94/54/694109454.db2.gz IELQQFACHLAHDO-GYMHETDLSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)CN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534872 694109455 /nfs/dbraw/zinc/10/94/55/694109455.db2.gz IELQQFACHLAHDO-GYMHETDLSA-N 1 3 307.438 0.696 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000962528679 688932396 /nfs/dbraw/zinc/93/23/96/688932396.db2.gz DKBOBYCRVIBGDL-NFOMZHRRSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962528679 688932398 /nfs/dbraw/zinc/93/23/98/688932398.db2.gz DKBOBYCRVIBGDL-NFOMZHRRSA-N 1 3 319.453 0.746 20 0 DCADHO CC1CCN(CC(=O)N(C)C2CCC([NH2+]CC(N)=O)CC2)CC1 ZINC000964034836 689120330 /nfs/dbraw/zinc/12/03/30/689120330.db2.gz BTTFSPHYJKJVJT-UHFFFAOYSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000964418810 689240932 /nfs/dbraw/zinc/24/09/32/689240932.db2.gz OZUCEOARVSOGDL-VOFHBIRMSA-N 1 3 319.449 0.887 20 0 DCADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000967924905 690124332 /nfs/dbraw/zinc/12/43/32/690124332.db2.gz KNWDWRAQPMMKHO-HZPDHXFCSA-N 1 3 319.453 0.730 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1)C1CCC1 ZINC000968922105 690425384 /nfs/dbraw/zinc/42/53/84/690425384.db2.gz QHULRQUEHDMSKE-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cc(CCN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001015999725 692542165 /nfs/dbraw/zinc/54/21/65/692542165.db2.gz WXUMOOYGTBXOOM-HOCLYGCPSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001015999725 692542166 /nfs/dbraw/zinc/54/21/66/692542166.db2.gz WXUMOOYGTBXOOM-HOCLYGCPSA-N 1 3 319.453 0.495 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016531680 692713239 /nfs/dbraw/zinc/71/32/39/692713239.db2.gz DZVFYRHBANPYPQ-NFOMZHRRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016531680 692713242 /nfs/dbraw/zinc/71/32/42/692713242.db2.gz DZVFYRHBANPYPQ-NFOMZHRRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1)C1CC1 ZINC001018966749 693299822 /nfs/dbraw/zinc/29/98/22/693299822.db2.gz RJPSENCOTXEMDW-GOEBONIOSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019087960 693349937 /nfs/dbraw/zinc/34/99/37/693349937.db2.gz HCBFCLDAKRCBBR-UONOGXRCSA-N 1 3 320.437 0.036 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019324810 693433274 /nfs/dbraw/zinc/43/32/74/693433274.db2.gz CKADYSXZPYPJAX-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001019394712 693461179 /nfs/dbraw/zinc/46/11/79/693461179.db2.gz NQRJVQOMEWWPTD-MJBXVCDLSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001019394642 693461274 /nfs/dbraw/zinc/46/12/74/693461274.db2.gz LJBOXVVTSNKGAH-MJBXVCDLSA-N 1 3 320.441 0.296 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001019560576 693522566 /nfs/dbraw/zinc/52/25/66/693522566.db2.gz NQQNCOAUHWGCFL-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1NC(=O)CCC[NH+](C)C ZINC001072800838 694667070 /nfs/dbraw/zinc/66/70/70/694667070.db2.gz GBQZWIHFIZFOCZ-OCCSQVGLSA-N 1 3 321.425 0.257 20 0 DCADHO COCC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982775 694691051 /nfs/dbraw/zinc/69/10/51/694691051.db2.gz AGQSGYAEHSOEBE-UHFFFAOYSA-N 1 3 309.454 0.899 20 0 DCADHO COCC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982775 694691052 /nfs/dbraw/zinc/69/10/52/694691052.db2.gz AGQSGYAEHSOEBE-UHFFFAOYSA-N 1 3 309.454 0.899 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2)N(C)C ZINC001072989967 694692205 /nfs/dbraw/zinc/69/22/05/694692205.db2.gz QUUKVOCOIRZIPB-HNNXBMFYSA-N 1 3 319.453 0.758 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2)N(C)C ZINC001072989967 694692206 /nfs/dbraw/zinc/69/22/06/694692206.db2.gz QUUKVOCOIRZIPB-HNNXBMFYSA-N 1 3 319.453 0.758 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)[C@@H]1C)N(C)C ZINC001074710764 694918500 /nfs/dbraw/zinc/91/85/00/694918500.db2.gz FENPNPNECQAGNQ-XDQVBPFNSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001074853278 694926674 /nfs/dbraw/zinc/92/66/74/694926674.db2.gz YJZBMLMGBHOJNJ-AEGPPILISA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075038921 694935613 /nfs/dbraw/zinc/93/56/13/694935613.db2.gz ICSDBJGQJCMNBT-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075038921 694935614 /nfs/dbraw/zinc/93/56/14/694935614.db2.gz ICSDBJGQJCMNBT-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106996 694938405 /nfs/dbraw/zinc/93/84/05/694938405.db2.gz PVMUWUDVCCHYAK-GUTXKFCHSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106996 694938406 /nfs/dbraw/zinc/93/84/06/694938406.db2.gz PVMUWUDVCCHYAK-GUTXKFCHSA-N 1 3 305.426 0.451 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076589813 695030597 /nfs/dbraw/zinc/03/05/97/695030597.db2.gz OROWUDBXLDKAQP-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076589813 695030598 /nfs/dbraw/zinc/03/05/98/695030598.db2.gz OROWUDBXLDKAQP-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001076628277 695033404 /nfs/dbraw/zinc/03/34/04/695033404.db2.gz GRNQOOGUCNYGEC-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2=CCCCC2)C1 ZINC001571441262 1162756560 /nfs/dbraw/zinc/75/65/60/1162756560.db2.gz UTVHWIRHALEUTO-GOEBONIOSA-N 1 3 309.454 0.895 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691321624 1157642685 /nfs/dbraw/zinc/64/26/85/1157642685.db2.gz FBTLYYAIRDKCPC-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001691360433 1157653590 /nfs/dbraw/zinc/65/35/90/1157653590.db2.gz YUMZZOYQDXLKJU-QWHCGFSZSA-N 1 3 308.430 0.154 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](O)CNCCF)C1 ZINC001725709950 1157760255 /nfs/dbraw/zinc/76/02/55/1157760255.db2.gz YTSCCGZLUZZPCG-ZIAGYGMSSA-N 1 3 303.422 0.487 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H](O)CNCCF)C1 ZINC001725709950 1157760261 /nfs/dbraw/zinc/76/02/61/1157760261.db2.gz YTSCCGZLUZZPCG-ZIAGYGMSSA-N 1 3 303.422 0.487 20 0 DCADHO O=C(c1ccc2c(c1)OCCNC2)N1CCC[C@H]([NH2+]CCO)C1 ZINC001649039222 1158616147 /nfs/dbraw/zinc/61/61/47/1158616147.db2.gz ZTKCATIKTISBEI-HNNXBMFYSA-N 1 3 319.405 0.355 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001687482491 1158646955 /nfs/dbraw/zinc/64/69/55/1158646955.db2.gz VGECWSALGPFDTE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001687482491 1158646959 /nfs/dbraw/zinc/64/69/59/1158646959.db2.gz VGECWSALGPFDTE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(N1CC[C@H]2[C@@H]1CCCN2CCO)C1(C2CC[NH2+]CC2)CC1 ZINC001649157336 1158834838 /nfs/dbraw/zinc/83/48/38/1158834838.db2.gz NFMJFEQTVBZXIY-HOTGVXAUSA-N 1 3 321.465 0.824 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001439040462 1159278950 /nfs/dbraw/zinc/27/89/50/1159278950.db2.gz AONVXKVDUSXNPM-CHWSQXEVSA-N 1 3 324.425 0.142 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1)C(N)=O ZINC001445956658 1159324707 /nfs/dbraw/zinc/32/47/07/1159324707.db2.gz PFNYQMVXSBMKNI-JSGCOSHPSA-N 1 3 322.453 0.221 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1C ZINC001446143188 1159350286 /nfs/dbraw/zinc/35/02/86/1159350286.db2.gz YYDRIWWZOWTIEF-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H]1C ZINC001446143188 1159350292 /nfs/dbraw/zinc/35/02/92/1159350292.db2.gz YYDRIWWZOWTIEF-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001447756610 1159696533 /nfs/dbraw/zinc/69/65/33/1159696533.db2.gz SIDNXSUHOFHITB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001447756610 1159696534 /nfs/dbraw/zinc/69/65/34/1159696534.db2.gz SIDNXSUHOFHITB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1cc(CN)oc1C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116846 1159815894 /nfs/dbraw/zinc/81/58/94/1159815894.db2.gz SHQHUZGRYRCHQM-CYBMUJFWSA-N 1 3 306.410 0.509 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)n1 ZINC001568292103 1160622141 /nfs/dbraw/zinc/62/21/41/1160622141.db2.gz WJLOXRINOHVRRZ-IUODEOHRSA-N 1 3 322.457 0.426 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC)N(C)C ZINC001568386492 1160638951 /nfs/dbraw/zinc/63/89/51/1160638951.db2.gz CKKRANALGXELDA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1CNCC(N)=O ZINC001568430978 1160646630 /nfs/dbraw/zinc/64/66/30/1160646630.db2.gz CMFUYJWNSKIDOK-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001568714805 1160745977 /nfs/dbraw/zinc/74/59/77/1160745977.db2.gz ZCJGSDTWQJVOPN-KBPBESRZSA-N 1 3 322.457 0.590 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CCc2ccnn2C)CCC1 ZINC001568862678 1160824219 /nfs/dbraw/zinc/82/42/19/1160824219.db2.gz MUJGSEHWXMYCLU-PLNGDYQASA-N 1 3 319.453 0.709 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CC[C@H](C)F)C1 ZINC001570159713 1161459538 /nfs/dbraw/zinc/45/95/38/1161459538.db2.gz HQCPUSNTJIYFOX-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@]1(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C[C@@H](O)C[NH2+]1 ZINC001573600452 1163514873 /nfs/dbraw/zinc/51/48/73/1163514873.db2.gz FEJBLKIAXXVVEI-ZMSDIMECSA-N 1 3 319.405 0.305 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1c[nH]nn1)[NH+]1CCCC1 ZINC001575327759 1163975708 /nfs/dbraw/zinc/97/57/08/1163975708.db2.gz HLGVPIRQFAMXNH-HIFRSBDPSA-N 1 3 322.457 0.862 20 0 DCADHO CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cn[nH]n1 ZINC001575337650 1163980694 /nfs/dbraw/zinc/98/06/94/1163980694.db2.gz CSDJZIWMKDFFRV-CYBMUJFWSA-N 1 3 306.414 0.131 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cn[nH]n2)C1 ZINC001575387040 1163995696 /nfs/dbraw/zinc/99/56/96/1163995696.db2.gz VDLQRXJWXSWPFW-YDHLFZDLSA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2cn[nH]n2)C1 ZINC001575387040 1163995705 /nfs/dbraw/zinc/99/57/05/1163995705.db2.gz VDLQRXJWXSWPFW-YDHLFZDLSA-N 1 3 320.441 0.662 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001575425475 1164008351 /nfs/dbraw/zinc/00/83/51/1164008351.db2.gz JISKQMOHLSFWHD-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c(CN)cnn2C)C1 ZINC001575600816 1164076804 /nfs/dbraw/zinc/07/68/04/1164076804.db2.gz LNEPAZXQDLBFBD-CYBMUJFWSA-N 1 3 307.442 0.977 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2c(CN)cnn2C)C1 ZINC001575600816 1164076810 /nfs/dbraw/zinc/07/68/10/1164076810.db2.gz LNEPAZXQDLBFBD-CYBMUJFWSA-N 1 3 307.442 0.977 20 0 DCADHO C[C@@H](CC(=O)N1CCN(CCN(C)C)C(=O)C1)[C@@H]1CCC[NH2+]C1 ZINC001575920115 1164185423 /nfs/dbraw/zinc/18/54/23/1164185423.db2.gz CDRBAAWYTQNMMK-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCc2c[nH]nn2)C1 ZINC001576486596 1164363729 /nfs/dbraw/zinc/36/37/29/1164363729.db2.gz YBJNOEUTEWETGU-CHWSQXEVSA-N 1 3 308.430 0.521 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCc2c[nH]nn2)C1 ZINC001576486596 1164363734 /nfs/dbraw/zinc/36/37/34/1164363734.db2.gz YBJNOEUTEWETGU-CHWSQXEVSA-N 1 3 308.430 0.521 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CCN1CC[NH2+]CC1 ZINC001576619687 1164416301 /nfs/dbraw/zinc/41/63/01/1164416301.db2.gz SMSLVIVZGHRPIU-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC001576732506 1164445840 /nfs/dbraw/zinc/44/58/40/1164445840.db2.gz WONOWLRDUKLVLB-TZMCWYRMSA-N 1 3 311.451 0.793 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)[C@H](C)CN1 ZINC001576772798 1164460216 /nfs/dbraw/zinc/46/02/16/1164460216.db2.gz RWNMTNRHEDTWQN-UMVBOHGHSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)[C@H](C)CN1 ZINC001576772798 1164460221 /nfs/dbraw/zinc/46/02/21/1164460221.db2.gz RWNMTNRHEDTWQN-UMVBOHGHSA-N 1 3 310.442 0.632 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](NCc2cn[nH]n2)C2CC2)CC1 ZINC001576877331 1164511550 /nfs/dbraw/zinc/51/15/50/1164511550.db2.gz UJJSZGVOUVAESA-AWEZNQCLSA-N 1 3 306.414 0.131 20 0 DCADHO CCO[C@H](CNC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C[NH+](C)C ZINC001578075441 1164917407 /nfs/dbraw/zinc/91/74/07/1164917407.db2.gz ILVKUTVGJSIYLD-JHJVBQTASA-N 1 3 316.446 0.365 20 0 DCADHO CCO[C@H](CNC(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C[NH+](C)C ZINC001578075444 1164918240 /nfs/dbraw/zinc/91/82/40/1164918240.db2.gz ILVKUTVGJSIYLD-YNEHKIRRSA-N 1 3 316.446 0.365 20 0 DCADHO CCOc1ccc(CN[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)cc1OC ZINC001578179507 1164945581 /nfs/dbraw/zinc/94/55/81/1164945581.db2.gz NCDNTSMEJBHZCV-CYBMUJFWSA-N 1 3 319.405 0.756 20 0 DCADHO CCc1nnc(N(C)C2CC[NH2+]CC2)n1CCN(C)CCOC ZINC001578303070 1164970442 /nfs/dbraw/zinc/97/04/42/1164970442.db2.gz REFIUEABROVFMD-UHFFFAOYSA-N 1 3 324.473 0.607 20 0 DCADHO CN(C[C@H](O)C[NH3+])CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001578446323 1165020187 /nfs/dbraw/zinc/02/01/87/1165020187.db2.gz VEBJDPWIOWUMBD-MFOWVQHXSA-N 1 3 316.442 0.501 20 0 DCADHO C[N@H+](CCCO)C1CCN(C(=O)Nc2ncccc2CN)CC1 ZINC001578469240 1165026397 /nfs/dbraw/zinc/02/63/97/1165026397.db2.gz MFSNBATUGPWERB-UHFFFAOYSA-N 1 3 321.425 0.851 20 0 DCADHO C[N@@H+](CCCO)C1CCN(C(=O)Nc2ncccc2CN)CC1 ZINC001578469240 1165026402 /nfs/dbraw/zinc/02/64/02/1165026402.db2.gz MFSNBATUGPWERB-UHFFFAOYSA-N 1 3 321.425 0.851 20 0 DCADHO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)CC1CCN(C)CC1 ZINC001578524505 1165043457 /nfs/dbraw/zinc/04/34/57/1165043457.db2.gz XWCBCOFXTUPRHX-UHFFFAOYSA-N 1 3 320.441 0.374 20 0 DCADHO CN(C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(C)C1 ZINC001578529513 1165047513 /nfs/dbraw/zinc/04/75/13/1165047513.db2.gz WXXIETGWWZOATP-VXGBXAGGSA-N 1 3 304.385 0.967 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001578647223 1165077773 /nfs/dbraw/zinc/07/77/73/1165077773.db2.gz URFSDQIKLDZPSE-IMJJTQAJSA-N 1 3 307.438 0.930 20 0 DCADHO CS(=O)(=O)NCCC[NH2+]Cc1cc2c(s1)CCNC2 ZINC001579346705 1165280875 /nfs/dbraw/zinc/28/08/75/1165280875.db2.gz SOZXSZHYAUZEMJ-UHFFFAOYSA-N 1 3 303.453 0.423 20 0 DCADHO C[C@H]([NH3+])CC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001579477985 1165325978 /nfs/dbraw/zinc/32/59/78/1165325978.db2.gz ITGHEZSOBICAPZ-AWEZNQCLSA-N 1 3 304.438 0.788 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC001580278604 1165555425 /nfs/dbraw/zinc/55/54/25/1165555425.db2.gz OIZUFCZAASIOAS-PMPSAXMXSA-N 1 3 319.405 0.556 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CCN1C1CCOCC1 ZINC001580556726 1165639087 /nfs/dbraw/zinc/63/90/87/1165639087.db2.gz WHBFMWZFIUBDEV-HUUCEWRRSA-N 1 3 311.426 0.125 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001580556726 1165639090 /nfs/dbraw/zinc/63/90/90/1165639090.db2.gz WHBFMWZFIUBDEV-HUUCEWRRSA-N 1 3 311.426 0.125 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001580556726 1165639094 /nfs/dbraw/zinc/63/90/94/1165639094.db2.gz WHBFMWZFIUBDEV-HUUCEWRRSA-N 1 3 311.426 0.125 20 0 DCADHO O=C(NC[C@H]1CC[NH2+]1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001580657753 1165676894 /nfs/dbraw/zinc/67/68/94/1165676894.db2.gz BBURDKHFCMOFQB-NVXWUHKLSA-N 1 3 318.421 0.285 20 0 DCADHO C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591176866 1167130549 /nfs/dbraw/zinc/13/05/49/1167130549.db2.gz LYOAYSJIKIIAKK-OAHLLOKOSA-N 1 3 316.409 0.832 20 0 DCADHO C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591176866 1167130553 /nfs/dbraw/zinc/13/05/53/1167130553.db2.gz LYOAYSJIKIIAKK-OAHLLOKOSA-N 1 3 316.409 0.832 20 0 DCADHO [NH3+]CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592744350 1167627119 /nfs/dbraw/zinc/62/71/19/1167627119.db2.gz IESIYCUYMLRWPA-DOMZBBRYSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592744350 1167627121 /nfs/dbraw/zinc/62/71/21/1167627121.db2.gz IESIYCUYMLRWPA-DOMZBBRYSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592744350 1167627123 /nfs/dbraw/zinc/62/71/23/1167627123.db2.gz IESIYCUYMLRWPA-DOMZBBRYSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592744350 1167627126 /nfs/dbraw/zinc/62/71/26/1167627126.db2.gz IESIYCUYMLRWPA-DOMZBBRYSA-N 1 3 316.409 0.961 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001646740885 1172503275 /nfs/dbraw/zinc/50/32/75/1172503275.db2.gz POGKGZKVJANZCP-IOASZLSFSA-N 1 3 313.442 0.894 20 0 DCADHO C[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C[C@H](O)C[NH2+]1 ZINC001646741370 1172503647 /nfs/dbraw/zinc/50/36/47/1172503647.db2.gz BSXPCZNDLCJMBB-SOLBZPMBSA-N 1 3 317.433 0.880 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@H]2C1 ZINC001646833598 1172557059 /nfs/dbraw/zinc/55/70/59/1172557059.db2.gz HPFZXUMUGTZOAB-JHJVBQTASA-N 1 3 317.437 0.858 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)NCCC3(C[NH3+])CC3)C2)nn1 ZINC001647251987 1172766499 /nfs/dbraw/zinc/76/64/99/1172766499.db2.gz CZJLAAHOADXGNX-CYBMUJFWSA-N 1 3 321.429 0.212 20 0 DCADHO O=C1NCCN1C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001647548032 1172964553 /nfs/dbraw/zinc/96/45/53/1172964553.db2.gz SZSNHQFAWYRKNM-ZBFHGGJFSA-N 1 3 308.426 0.245 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001649701232 1173171928 /nfs/dbraw/zinc/17/19/28/1173171928.db2.gz TUTBKZOKEPVEAC-CYBMUJFWSA-N 1 3 303.410 0.724 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001649701232 1173171934 /nfs/dbraw/zinc/17/19/34/1173171934.db2.gz TUTBKZOKEPVEAC-CYBMUJFWSA-N 1 3 303.410 0.724 20 0 DCADHO C[N@H+](C[C@H](O)Cn1cc([C@H](N)C2CCOCC2)nn1)C1CC1 ZINC001649972963 1173351801 /nfs/dbraw/zinc/35/18/01/1173351801.db2.gz BSDLLZHEFRVIIS-DZGCQCFKSA-N 1 3 309.414 0.160 20 0 DCADHO C[N@@H+](C[C@H](O)Cn1cc([C@H](N)C2CCOCC2)nn1)C1CC1 ZINC001649972963 1173351809 /nfs/dbraw/zinc/35/18/09/1173351809.db2.gz BSDLLZHEFRVIIS-DZGCQCFKSA-N 1 3 309.414 0.160 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001649996459 1173364627 /nfs/dbraw/zinc/36/46/27/1173364627.db2.gz RWEYZZPVNXLWDN-UONOGXRCSA-N 1 3 311.474 0.534 20 0 DCADHO N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001650347560 1173583761 /nfs/dbraw/zinc/58/37/61/1173583761.db2.gz QATCHDGJOPOSKB-MELADBBJSA-N 1 3 304.369 0.854 20 0 DCADHO C[C@]1(NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)CC[NH2+]C1 ZINC001650370488 1173598923 /nfs/dbraw/zinc/59/89/23/1173598923.db2.gz PYLDVWKTXUMZDP-WBMJQRKESA-N 1 3 302.378 0.380 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001663103497 1174265112 /nfs/dbraw/zinc/26/51/12/1174265112.db2.gz BTJHZDGYDSQRQS-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663942816 1174374200 /nfs/dbraw/zinc/37/42/00/1174374200.db2.gz YLPJWEVZEAECIA-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001663942816 1174374205 /nfs/dbraw/zinc/37/42/05/1174374205.db2.gz YLPJWEVZEAECIA-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001664018070 1174384600 /nfs/dbraw/zinc/38/46/00/1174384600.db2.gz AHLGFYXFKBANJQ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001666870713 1174642116 /nfs/dbraw/zinc/64/21/16/1174642116.db2.gz NDZQBTXNUWJCKN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCn1cccn1)N(C)C ZINC001667032800 1174656501 /nfs/dbraw/zinc/65/65/01/1174656501.db2.gz DQZRCBZILSOJDF-LSDHHAIUSA-N 1 3 309.458 0.906 20 0 DCADHO C[C@H](CC[NH2+]CCn1cccn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001668213729 1174769389 /nfs/dbraw/zinc/76/93/89/1174769389.db2.gz DPFALADWBDADAX-HUUCEWRRSA-N 1 3 307.442 0.709 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnnn1C ZINC001668318713 1174782425 /nfs/dbraw/zinc/78/24/25/1174782425.db2.gz BMVSGPCUGAMIOG-ZFWWWQNUSA-N 1 3 322.457 0.674 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@@H]1CCN(C2CCC2)C1=O ZINC001669020777 1174877797 /nfs/dbraw/zinc/87/77/97/1174877797.db2.gz JDRRYFFAGDHUPE-NHZBNJEXSA-N 1 3 322.453 0.354 20 0 DCADHO O=C(N(CCO)CCNCCF)C12CCC[NH+](CCC1)C2 ZINC001672636478 1175136618 /nfs/dbraw/zinc/13/66/18/1175136618.db2.gz RQIOXBXBAGWKON-UHFFFAOYSA-N 1 3 301.406 0.242 20 0 DCADHO Cn1nncc1CNCC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001672854368 1175157966 /nfs/dbraw/zinc/15/79/66/1175157966.db2.gz WPJZZYRKVVAZPE-CQSZACIVSA-N 1 3 322.457 0.485 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001673923674 1175241454 /nfs/dbraw/zinc/24/14/54/1175241454.db2.gz NDGBMCXWJFXBNI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO COCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001675628640 1175382774 /nfs/dbraw/zinc/38/27/74/1175382774.db2.gz YAVXSTYOBBEYRA-ZIAGYGMSSA-N 1 3 301.431 0.179 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001676694969 1175478030 /nfs/dbraw/zinc/47/80/30/1175478030.db2.gz VDYDWGRGCKDNQS-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO COc1nccc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001699160568 1177901360 /nfs/dbraw/zinc/90/13/60/1177901360.db2.gz ACPITOCOHLLWAY-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001699160568 1177901369 /nfs/dbraw/zinc/90/13/69/1177901369.db2.gz ACPITOCOHLLWAY-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO CC(C)(C(=O)NC/C=C/CN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001699291543 1178035878 /nfs/dbraw/zinc/03/58/78/1178035878.db2.gz HNANWVCGTWRURI-OOPCZODUSA-N 1 3 308.426 0.011 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001699500409 1178166560 /nfs/dbraw/zinc/16/65/60/1178166560.db2.gz WCDKMPHLNZVRNV-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCC[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CCCCN1C ZINC001699517969 1178178923 /nfs/dbraw/zinc/17/89/23/1178178923.db2.gz AQQAZPJQSIQDPM-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1)C(N)=O ZINC001699765660 1178279883 /nfs/dbraw/zinc/27/98/83/1178279883.db2.gz FYUVVIXOWCFBHL-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001705092210 1180256171 /nfs/dbraw/zinc/25/61/71/1180256171.db2.gz JLODUSFDBZPBIB-NHZBNJEXSA-N 1 3 322.453 0.211 20 0 DCADHO CC[C@H](C(N)=O)N(CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707452679 1180516851 /nfs/dbraw/zinc/51/68/51/1180516851.db2.gz UWVCXCBRGNWTKS-MGPQQGTHSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(N)=O)N(CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001707452679 1180516856 /nfs/dbraw/zinc/51/68/56/1180516856.db2.gz UWVCXCBRGNWTKS-MGPQQGTHSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713654363 1180997482 /nfs/dbraw/zinc/99/74/82/1180997482.db2.gz BKFUGMZXVDNDDM-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713654363 1180997489 /nfs/dbraw/zinc/99/74/89/1180997489.db2.gz BKFUGMZXVDNDDM-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCOC[C@@H]1CCCO1 ZINC001714572529 1181422718 /nfs/dbraw/zinc/42/27/18/1181422718.db2.gz DERACHTYFJBSGM-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCOC[C@@H]1CCCO1 ZINC001714572529 1181422723 /nfs/dbraw/zinc/42/27/23/1181422723.db2.gz DERACHTYFJBSGM-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001714797158 1181552991 /nfs/dbraw/zinc/55/29/91/1181552991.db2.gz WPTQORHVLKQFEC-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714797158 1181552994 /nfs/dbraw/zinc/55/29/94/1181552994.db2.gz WPTQORHVLKQFEC-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN1CCC(C)CC1 ZINC001714799164 1181554303 /nfs/dbraw/zinc/55/43/03/1181554303.db2.gz NJXPXZITJKEOPN-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cnnn1C)N(C)C ZINC001715679732 1181938612 /nfs/dbraw/zinc/93/86/12/1181938612.db2.gz WOBLTKSDFKUSKS-GXTWGEPZSA-N 1 3 310.446 0.386 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001715798085 1182008592 /nfs/dbraw/zinc/00/85/92/1182008592.db2.gz JEPVKTKRJNCPCN-NHZBNJEXSA-N 1 3 318.421 0.242 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001715840910 1182042244 /nfs/dbraw/zinc/04/22/44/1182042244.db2.gz JLHBHMBACUJHOG-OQOSRZTISA-N 1 3 310.442 0.243 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001715840910 1182042238 /nfs/dbraw/zinc/04/22/38/1182042238.db2.gz JLHBHMBACUJHOG-OQOSRZTISA-N 1 3 310.442 0.243 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC/C=C/CN[C@H](C)C(N)=O)CC1 ZINC001715884781 1182076041 /nfs/dbraw/zinc/07/60/41/1182076041.db2.gz AVTOBSKJKRMKDL-MUBLQREKSA-N 1 3 310.442 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001715935358 1182109055 /nfs/dbraw/zinc/10/90/55/1182109055.db2.gz WKXIIOFSTXGCEG-HIFRSBDPSA-N 1 3 309.458 0.643 20 0 DCADHO CCN(CC[NH2+]CCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001716239248 1182271576 /nfs/dbraw/zinc/27/15/76/1182271576.db2.gz GXXUFYLWADINBP-OAHLLOKOSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@H](CN(C)CCOCC(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001716500940 1182415681 /nfs/dbraw/zinc/41/56/81/1182415681.db2.gz MUJZNKKDMCSUIC-GFCCVEGCSA-N 1 3 319.396 0.800 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@H](C[NH2+]CCO)C2CC2)c1 ZINC001716631764 1182471272 /nfs/dbraw/zinc/47/12/72/1182471272.db2.gz NOVHOPXNXYNEIF-MRXNPFEDSA-N 1 3 305.422 0.839 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCn1cccn1 ZINC001716988458 1182612655 /nfs/dbraw/zinc/61/26/55/1182612655.db2.gz ANZUIPNPWFNRDV-KBPBESRZSA-N 1 3 316.409 0.533 20 0 DCADHO CC(C)=CCN[C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001717769439 1182989745 /nfs/dbraw/zinc/98/97/45/1182989745.db2.gz FHIZNYTXSFIHDX-OAHLLOKOSA-N 1 3 309.454 0.895 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717927127 1183066779 /nfs/dbraw/zinc/06/67/79/1183066779.db2.gz LAHJPHNJFQVTPJ-IUODEOHRSA-N 1 3 321.412 0.577 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001717927127 1183066785 /nfs/dbraw/zinc/06/67/85/1183066785.db2.gz LAHJPHNJFQVTPJ-IUODEOHRSA-N 1 3 321.412 0.577 20 0 DCADHO O=C(N1CCO[C@H](CNC/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001724820754 1184574495 /nfs/dbraw/zinc/57/44/95/1184574495.db2.gz DDBLKGURFRXINM-FNVMNULWSA-N 1 3 313.829 0.652 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001725367915 1184788140 /nfs/dbraw/zinc/78/81/40/1184788140.db2.gz FFWFOSHYLYIOBM-BZUAXINKSA-N 1 3 321.469 0.954 20 0 DCADHO CC(C)NC(=O)NCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001725514197 1184852820 /nfs/dbraw/zinc/85/28/20/1184852820.db2.gz XITPQQNYRIDFED-LBPRGKRZSA-N 1 3 324.429 0.096 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CCCC[NH+](C)C ZINC001725602170 1184908467 /nfs/dbraw/zinc/90/84/67/1184908467.db2.gz YAIYCBOPTHDWER-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001725609666 1184910810 /nfs/dbraw/zinc/91/08/10/1184910810.db2.gz UYNJIDGORJORCJ-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)CNCCF ZINC001725710077 1184959503 /nfs/dbraw/zinc/95/95/03/1184959503.db2.gz MVZIEXRUGHCHFZ-KGLIPLIRSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)CNCCF ZINC001725710077 1184959508 /nfs/dbraw/zinc/95/95/08/1184959508.db2.gz MVZIEXRUGHCHFZ-KGLIPLIRSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@H](CC[NH2+]Cc1cncn1C)NC(=O)CN(C)C1CCC1 ZINC001732702604 1185928595 /nfs/dbraw/zinc/92/85/95/1185928595.db2.gz OZLTXCVAFKPZFL-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732852827 1186015586 /nfs/dbraw/zinc/01/55/86/1186015586.db2.gz VJLRXCWGGVLNBW-MEWZEZIVSA-N 1 3 310.442 0.256 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732852827 1186015590 /nfs/dbraw/zinc/01/55/90/1186015590.db2.gz VJLRXCWGGVLNBW-MEWZEZIVSA-N 1 3 310.442 0.256 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)CC[NH+]1CCCCC1 ZINC001733145989 1186162824 /nfs/dbraw/zinc/16/28/24/1186162824.db2.gz DFXDAJCRABMSNJ-UHFFFAOYSA-N 1 3 322.457 0.629 20 0 DCADHO CC1(C)CO[C@H](C[NH2+]CCN(CCO)C(=O)Cc2c[nH]cn2)C1 ZINC001733624286 1186376653 /nfs/dbraw/zinc/37/66/53/1186376653.db2.gz JKGOBKIGLHTXCW-AWEZNQCLSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+]Cc2ccccc2)C1 ZINC001733625248 1186377998 /nfs/dbraw/zinc/37/79/98/1186377998.db2.gz QHGNSZDBTPQBIY-MRXNPFEDSA-N 1 3 319.449 0.939 20 0 DCADHO C[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCO)C1)N1CCCCCC1 ZINC001733741080 1186425305 /nfs/dbraw/zinc/42/53/05/1186425305.db2.gz BCOUOVQXJWQELD-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO COCCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001753115123 1188503793 /nfs/dbraw/zinc/50/37/93/1188503793.db2.gz JZTIIFXSFBOPFY-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001753115123 1188503796 /nfs/dbraw/zinc/50/37/96/1188503796.db2.gz JZTIIFXSFBOPFY-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001754000301 1188707765 /nfs/dbraw/zinc/70/77/65/1188707765.db2.gz XUJFYNOAMNVLDY-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CC[NH2+]CC(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001754024985 1188714392 /nfs/dbraw/zinc/71/43/92/1188714392.db2.gz BIUDAIBXWWUJFS-GFCCVEGCSA-N 1 3 306.410 0.332 20 0 DCADHO CN1CC[C@@H](NC/C=C/CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001754142878 1188758478 /nfs/dbraw/zinc/75/84/78/1188758478.db2.gz AKPZFVZGNGGJND-BAABZTOOSA-N 1 3 320.437 0.108 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)N(C)C ZINC001754157296 1188763454 /nfs/dbraw/zinc/76/34/54/1188763454.db2.gz SSIAZHCWGFAKNG-AFNCTOJWSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001754395500 1188844180 /nfs/dbraw/zinc/84/41/80/1188844180.db2.gz GGAMDXUBCZGTFU-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCOCC[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001754753733 1188921443 /nfs/dbraw/zinc/92/14/43/1188921443.db2.gz JDTFWWOCZWIXLC-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO CCOCC[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001754753733 1188921447 /nfs/dbraw/zinc/92/14/47/1188921447.db2.gz JDTFWWOCZWIXLC-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001754824505 1188942503 /nfs/dbraw/zinc/94/25/03/1188942503.db2.gz CBAYABMJWAHABV-CVEARBPZSA-N 1 3 321.469 0.909 20 0 DCADHO C[C@@H](CCC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001755502593 1189130279 /nfs/dbraw/zinc/13/02/79/1189130279.db2.gz JNESYVCNNUIHDK-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001759663154 1190255775 /nfs/dbraw/zinc/25/57/75/1190255775.db2.gz UOIBTLGACWBPQE-KXLSMFKISA-N 1 3 324.469 0.455 20 0 DCADHO CSCC[C@H](N)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001771744122 1190486266 /nfs/dbraw/zinc/48/62/66/1190486266.db2.gz HGNZNUREEUPNTR-OCCSQVGLSA-N 1 3 315.483 0.684 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC001772235434 1190638723 /nfs/dbraw/zinc/63/87/23/1190638723.db2.gz WEENZIGXCSEXSO-DZGCQCFKSA-N 1 3 308.426 0.188 20 0 DCADHO O=C(C[C@H]1CNCCO1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001772284183 1190653632 /nfs/dbraw/zinc/65/36/32/1190653632.db2.gz STKCVAAMMVOFTJ-HOCLYGCPSA-N 1 3 309.454 0.993 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001772308778 1190659675 /nfs/dbraw/zinc/65/96/75/1190659675.db2.gz PUEIVEMYBULRFF-AYDFFVQHSA-N 1 3 324.469 0.275 20 0 DCADHO C[C@H](F)CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749556 751341605 /nfs/dbraw/zinc/34/16/05/751341605.db2.gz GCUDFSWTGNMZBS-YUTCNCBUSA-N 1 3 301.406 0.238 20 0 DCADHO Cc1ncccc1CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473717 751411736 /nfs/dbraw/zinc/41/17/36/751411736.db2.gz DEGHQIMDCLDVQF-INIZCTEOSA-N 1 3 302.422 0.938 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659785 751609502 /nfs/dbraw/zinc/60/95/02/751609502.db2.gz KTQGMRVLVJDQCE-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659785 751609509 /nfs/dbraw/zinc/60/95/09/751609509.db2.gz KTQGMRVLVJDQCE-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC001127779675 752065070 /nfs/dbraw/zinc/06/50/70/752065070.db2.gz PWPBQCADQYXSNW-OCCSQVGLSA-N 1 3 324.450 0.521 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC001127779675 752065075 /nfs/dbraw/zinc/06/50/75/752065075.db2.gz PWPBQCADQYXSNW-OCCSQVGLSA-N 1 3 324.450 0.521 20 0 DCADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001167051323 746905321 /nfs/dbraw/zinc/90/53/21/746905321.db2.gz GHCPFVIYKHELRT-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001167232890 747031338 /nfs/dbraw/zinc/03/13/38/747031338.db2.gz TUQYDCOOPWBMFW-OLZOCXBDSA-N 1 3 310.442 0.078 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1)C(N)=O ZINC001167260890 747045332 /nfs/dbraw/zinc/04/53/32/747045332.db2.gz OJCPCVBOLVSWHO-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001167260953 747045611 /nfs/dbraw/zinc/04/56/11/747045611.db2.gz SCBXVPMCYPCBHV-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(NCc2nccn2C)CC1 ZINC001203202864 747158544 /nfs/dbraw/zinc/15/85/44/747158544.db2.gz CEAGSMZJKWVZKK-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(NCc2nccn2C)CC1 ZINC001203202864 747158549 /nfs/dbraw/zinc/15/85/49/747158549.db2.gz CEAGSMZJKWVZKK-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001077665233 752253310 /nfs/dbraw/zinc/25/33/10/752253310.db2.gz JHJOYZQLLHZRMX-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001077665233 752253315 /nfs/dbraw/zinc/25/33/15/752253315.db2.gz JHJOYZQLLHZRMX-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574543 749678944 /nfs/dbraw/zinc/67/89/44/749678944.db2.gz BFCHWHQWCIHKMA-MCIONIFRSA-N 1 3 323.441 0.018 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1CCCO ZINC001088653880 749832126 /nfs/dbraw/zinc/83/21/26/749832126.db2.gz MGWXPHNMRUXHNE-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520375 750085750 /nfs/dbraw/zinc/08/57/50/750085750.db2.gz HZHAOTZWEBWMDH-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249412 751063785 /nfs/dbraw/zinc/06/37/85/751063785.db2.gz GRWMWTHILAFABA-XPKDYRNWSA-N 1 3 324.469 0.147 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356677 751194093 /nfs/dbraw/zinc/19/40/93/751194093.db2.gz LJAYFSAIXYCCPB-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356677 751194097 /nfs/dbraw/zinc/19/40/97/751194097.db2.gz LJAYFSAIXYCCPB-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106729239 751249976 /nfs/dbraw/zinc/24/99/76/751249976.db2.gz NRXRRBQSOFBKSL-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO COCCCN1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816848 752359935 /nfs/dbraw/zinc/35/99/35/752359935.db2.gz IXPTVZWSDJBDAV-GDBMZVCRSA-N 1 3 313.442 0.324 20 0 DCADHO COCCCN1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107816848 752359942 /nfs/dbraw/zinc/35/99/42/752359942.db2.gz IXPTVZWSDJBDAV-GDBMZVCRSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCCC1 ZINC001044858554 752906250 /nfs/dbraw/zinc/90/62/50/752906250.db2.gz TXEUWWKLHNXAKJ-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001078200435 753117607 /nfs/dbraw/zinc/11/76/07/753117607.db2.gz YEVHALLSFCVYLR-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)[C@H]1CCCN1C ZINC001078472925 753255644 /nfs/dbraw/zinc/25/56/44/753255644.db2.gz LJVFGLQFIZNNAY-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NC(=O)[C@H]1CCCN1C ZINC001078472925 753255649 /nfs/dbraw/zinc/25/56/49/753255649.db2.gz LJVFGLQFIZNNAY-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001078479302 753259197 /nfs/dbraw/zinc/25/91/97/753259197.db2.gz WNWAWJFULVGUGO-ZFWWWQNUSA-N 1 3 322.409 0.196 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046011130 753415466 /nfs/dbraw/zinc/41/54/66/753415466.db2.gz ZUMFEYILVORNRO-CVEARBPZSA-N 1 3 308.470 0.708 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046011130 753415470 /nfs/dbraw/zinc/41/54/70/753415470.db2.gz ZUMFEYILVORNRO-CVEARBPZSA-N 1 3 308.470 0.708 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035848 753438977 /nfs/dbraw/zinc/43/89/77/753438977.db2.gz UVHUJXYRACSVEL-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035848 753438979 /nfs/dbraw/zinc/43/89/79/753438979.db2.gz UVHUJXYRACSVEL-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001046062463 753455806 /nfs/dbraw/zinc/45/58/06/753455806.db2.gz HCYMLOCKBYEWJJ-CVEARBPZSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001046062463 753455809 /nfs/dbraw/zinc/45/58/09/753455809.db2.gz HCYMLOCKBYEWJJ-CVEARBPZSA-N 1 3 310.486 0.954 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064246 753457647 /nfs/dbraw/zinc/45/76/47/753457647.db2.gz IPNPRFYJNCKTPH-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064246 753457651 /nfs/dbraw/zinc/45/76/51/753457651.db2.gz IPNPRFYJNCKTPH-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H](O)CN1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326447 753646767 /nfs/dbraw/zinc/64/67/67/753646767.db2.gz NCJUMQSMPSLBFO-BBRMVZONSA-N 1 3 323.441 0.020 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001046831157 753966274 /nfs/dbraw/zinc/96/62/74/753966274.db2.gz GSUXWRTXZAMGPJ-GDBMZVCRSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001046831157 753966278 /nfs/dbraw/zinc/96/62/78/753966278.db2.gz GSUXWRTXZAMGPJ-GDBMZVCRSA-N 1 3 305.426 0.415 20 0 DCADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046831217 753966507 /nfs/dbraw/zinc/96/65/07/753966507.db2.gz HSJXOJOKECJPGD-PBHICJAKSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046831217 753966513 /nfs/dbraw/zinc/96/65/13/753966513.db2.gz HSJXOJOKECJPGD-PBHICJAKSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044745131 754131021 /nfs/dbraw/zinc/13/10/21/754131021.db2.gz SBLJXLRZJFFVPR-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001128773936 754270359 /nfs/dbraw/zinc/27/03/59/754270359.db2.gz JICAUXVCIXWRBK-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001128773936 754270365 /nfs/dbraw/zinc/27/03/65/754270365.db2.gz JICAUXVCIXWRBK-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)CN(CC)CC)C(N)=O ZINC001168762390 754885744 /nfs/dbraw/zinc/88/57/44/754885744.db2.gz ALOXGYCTUIXFGP-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO Cn1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)cn1 ZINC001048719974 754892414 /nfs/dbraw/zinc/89/24/14/754892414.db2.gz GUFXMSICZRYMKT-OWCLPIDISA-N 1 3 317.437 0.405 20 0 DCADHO Cn1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CCCN4C)C[C@H]3C2)cn1 ZINC001048719974 754892419 /nfs/dbraw/zinc/89/24/19/754892419.db2.gz GUFXMSICZRYMKT-OWCLPIDISA-N 1 3 317.437 0.405 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049058448 755094973 /nfs/dbraw/zinc/09/49/73/755094973.db2.gz YHAUZLZPENKTDP-QXSJWSMHSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049058448 755094975 /nfs/dbraw/zinc/09/49/75/755094975.db2.gz YHAUZLZPENKTDP-QXSJWSMHSA-N 1 3 309.454 0.896 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CCN2CCO ZINC001049615483 755336543 /nfs/dbraw/zinc/33/65/43/755336543.db2.gz KPCBLEHWBTULEI-ZACQAIPSSA-N 1 3 321.465 0.918 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001072151390 762386038 /nfs/dbraw/zinc/38/60/38/762386038.db2.gz BDSDYXTZDDVLQA-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001064364996 755388423 /nfs/dbraw/zinc/38/84/23/755388423.db2.gz OXZOEMZZXZKUDE-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC(N(C/C=C/Cl)CCO)CC1 ZINC001098467809 762418409 /nfs/dbraw/zinc/41/84/09/762418409.db2.gz WQRJRVIYZDVGDZ-XVNBXDOJSA-N 1 3 317.861 0.976 20 0 DCADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079931329 756051432 /nfs/dbraw/zinc/05/14/32/756051432.db2.gz QDUXZLKMSQPRFR-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079931329 756051437 /nfs/dbraw/zinc/05/14/37/756051437.db2.gz QDUXZLKMSQPRFR-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO COCCN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079948867 756053567 /nfs/dbraw/zinc/05/35/67/756053567.db2.gz DHBBQDLUGMKOAS-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188709 756124015 /nfs/dbraw/zinc/12/40/15/756124015.db2.gz QOBHIRSJJSFUTB-BMFZPTHFSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001080188709 756124017 /nfs/dbraw/zinc/12/40/17/756124017.db2.gz QOBHIRSJJSFUTB-BMFZPTHFSA-N 1 3 309.454 0.680 20 0 DCADHO COCCN1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080592984 756249400 /nfs/dbraw/zinc/24/94/00/756249400.db2.gz BMSLZSSOKVYTLV-UKRRQHHQSA-N 1 3 323.441 0.141 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC001054734540 756621338 /nfs/dbraw/zinc/62/13/38/756621338.db2.gz FYWLUIXOWMWZNZ-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]Cc1cncn1C ZINC001082447687 757134335 /nfs/dbraw/zinc/13/43/35/757134335.db2.gz KLNIGABVVXANIN-BPLDGKMQSA-N 1 3 305.426 0.451 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083084023 757484322 /nfs/dbraw/zinc/48/43/22/757484322.db2.gz WDXUBHICVRPXSU-YESZJQIVSA-N 1 3 321.465 0.896 20 0 DCADHO CN(CC(=O)N1CC[C@H](CC[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001050221604 757502828 /nfs/dbraw/zinc/50/28/28/757502828.db2.gz HVFZYDBFTXEOOY-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050542307 757820092 /nfs/dbraw/zinc/82/00/92/757820092.db2.gz CNRKYYHSMZRNRV-CQSZACIVSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532641 757894645 /nfs/dbraw/zinc/89/46/45/757894645.db2.gz HUHJTNGIDPBSLJ-DSZOFWSKSA-N 1 3 319.449 0.792 20 0 DCADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532641 757894660 /nfs/dbraw/zinc/89/46/60/757894660.db2.gz HUHJTNGIDPBSLJ-DSZOFWSKSA-N 1 3 319.449 0.792 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CC2CCCC2)C1 ZINC001051848106 758986506 /nfs/dbraw/zinc/98/65/06/758986506.db2.gz KJRUSQGSZIZNKB-OAHLLOKOSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107594 759184488 /nfs/dbraw/zinc/18/44/88/759184488.db2.gz GKPHIIIFDLTFIP-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107594 759184490 /nfs/dbraw/zinc/18/44/90/759184490.db2.gz GKPHIIIFDLTFIP-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO COCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782634 759304492 /nfs/dbraw/zinc/30/44/92/759304492.db2.gz ZQJCONIKFIXOCY-CABCVRRESA-N 1 3 313.442 0.275 20 0 DCADHO COCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085782634 759304502 /nfs/dbraw/zinc/30/45/02/759304502.db2.gz ZQJCONIKFIXOCY-CABCVRRESA-N 1 3 313.442 0.275 20 0 DCADHO COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001085782634 759304510 /nfs/dbraw/zinc/30/45/10/759304510.db2.gz ZQJCONIKFIXOCY-CABCVRRESA-N 1 3 313.442 0.275 20 0 DCADHO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001085782634 759304520 /nfs/dbraw/zinc/30/45/20/759304520.db2.gz ZQJCONIKFIXOCY-CABCVRRESA-N 1 3 313.442 0.275 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001147823912 767852495 /nfs/dbraw/zinc/85/24/95/767852495.db2.gz GOTVSTKJGZIVSP-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCOC(=O)c1c(CN)ncn1-c1ccc2c(n1)CC[NH2+]C2 ZINC001155077818 759469822 /nfs/dbraw/zinc/46/98/22/759469822.db2.gz JNPHLNAHHUNKIB-UHFFFAOYSA-N 1 3 301.350 0.548 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000069 767893521 /nfs/dbraw/zinc/89/35/21/767893521.db2.gz JQKNMOPSYHCCOW-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO COCCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124468 760438432 /nfs/dbraw/zinc/43/84/32/760438432.db2.gz ILBFNTFEIBNQLD-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365424 767974997 /nfs/dbraw/zinc/97/49/97/767974997.db2.gz PCYGNQRZOGHJSN-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341749 760790965 /nfs/dbraw/zinc/79/09/65/760790965.db2.gz YTONYZZYYYEGNC-OAHLLOKOSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129341749 760790971 /nfs/dbraw/zinc/79/09/71/760790971.db2.gz YTONYZZYYYEGNC-OAHLLOKOSA-N 1 3 321.469 0.912 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1n1ccnn1 ZINC001070247892 761153556 /nfs/dbraw/zinc/15/35/56/761153556.db2.gz JKMIHHLKUTYCON-KGLIPLIRSA-N 1 3 320.441 0.514 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070275489 761160464 /nfs/dbraw/zinc/16/04/64/761160464.db2.gz OXYRSCBLQCYZRF-MJBXVCDLSA-N 1 3 306.414 0.124 20 0 DCADHO CN(C)C[C@H]1COCCN1C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148645846 768022787 /nfs/dbraw/zinc/02/27/87/768022787.db2.gz IHZOMEASOFUHIH-ZDUSSCGKSA-N 1 3 305.382 0.395 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001148655627 768025209 /nfs/dbraw/zinc/02/52/09/768025209.db2.gz QDSHMUYTVLJYFH-ZDUSSCGKSA-N 1 3 300.447 0.289 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131598 761515357 /nfs/dbraw/zinc/51/53/57/761515357.db2.gz GFCIIFPLSDSCDT-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131598 761515364 /nfs/dbraw/zinc/51/53/64/761515364.db2.gz GFCIIFPLSDSCDT-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001071053588 761602035 /nfs/dbraw/zinc/60/20/35/761602035.db2.gz BMRXPWKGGGQJSW-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112548900 761690836 /nfs/dbraw/zinc/69/08/36/761690836.db2.gz YLVCMAOCRPCXAJ-YOEHRIQHSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112586208 761703804 /nfs/dbraw/zinc/70/38/04/761703804.db2.gz MXIIIUGEUYDODW-BBRMVZONSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001098951465 762763045 /nfs/dbraw/zinc/76/30/45/762763045.db2.gz KAUDYGBGSOXSPK-LLQJNDGASA-N 1 3 319.449 0.840 20 0 DCADHO CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001098951465 762763049 /nfs/dbraw/zinc/76/30/49/762763049.db2.gz KAUDYGBGSOXSPK-LLQJNDGASA-N 1 3 319.449 0.840 20 0 DCADHO Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001086875086 768083483 /nfs/dbraw/zinc/08/34/83/768083483.db2.gz FDSCMYBRLYRNLA-RRFJBIMHSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001086875086 768083489 /nfs/dbraw/zinc/08/34/89/768083489.db2.gz FDSCMYBRLYRNLA-RRFJBIMHSA-N 1 3 319.453 0.746 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001129435351 762942208 /nfs/dbraw/zinc/94/22/08/762942208.db2.gz GDGFCZKMPSVWRR-MRXNPFEDSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)C1CCCCC1)C1CC1 ZINC001129443093 762945342 /nfs/dbraw/zinc/94/53/42/762945342.db2.gz HWVLUZLCDPSIED-JKSUJKDBSA-N 1 3 311.470 0.974 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129842350 763022485 /nfs/dbraw/zinc/02/24/85/763022485.db2.gz WQSKKPBEXBDTDW-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129842350 763022488 /nfs/dbraw/zinc/02/24/88/763022488.db2.gz WQSKKPBEXBDTDW-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001129849782 763025048 /nfs/dbraw/zinc/02/50/48/763025048.db2.gz USXIJKASYVVKAG-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001129849782 763025051 /nfs/dbraw/zinc/02/50/51/763025051.db2.gz USXIJKASYVVKAG-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949301 763054881 /nfs/dbraw/zinc/05/48/81/763054881.db2.gz AYYZYJWERPJFOQ-ZDUSSCGKSA-N 1 3 321.487 0.103 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1O)C1CCC1 ZINC001099880193 763095728 /nfs/dbraw/zinc/09/57/28/763095728.db2.gz WOKISDRBHSITRP-HOTGVXAUSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O)C1CCC1 ZINC001099880193 763095734 /nfs/dbraw/zinc/09/57/34/763095734.db2.gz WOKISDRBHSITRP-HOTGVXAUSA-N 1 3 309.454 0.822 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)N(C)C(C)C ZINC001130427967 763298981 /nfs/dbraw/zinc/29/89/81/763298981.db2.gz WYUBXXRECNGBST-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)N(C)C(C)C ZINC001130427967 763298988 /nfs/dbraw/zinc/29/89/88/763298988.db2.gz WYUBXXRECNGBST-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001130622656 763404633 /nfs/dbraw/zinc/40/46/33/763404633.db2.gz SUZBXPXUFNZNBF-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001130622656 763404642 /nfs/dbraw/zinc/40/46/42/763404642.db2.gz SUZBXPXUFNZNBF-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410605 763560604 /nfs/dbraw/zinc/56/06/04/763560604.db2.gz DXXQBVZVGKWHSO-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001100410915 763560741 /nfs/dbraw/zinc/56/07/41/763560741.db2.gz SYYXJBWGEQMKHF-SSDMNJCBSA-N 1 3 322.453 0.234 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCC1CC(NCc2cnnn2C)C1 ZINC001100460288 763590294 /nfs/dbraw/zinc/59/02/94/763590294.db2.gz YQNFSRHICWZOHR-UHFFFAOYSA-N 1 3 322.457 0.530 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCC1CC(NCc2cnnn2C)C1 ZINC001100460288 763590299 /nfs/dbraw/zinc/59/02/99/763590299.db2.gz YQNFSRHICWZOHR-UHFFFAOYSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3cnnn3C)C2)C1 ZINC001100678588 763719166 /nfs/dbraw/zinc/71/91/66/763719166.db2.gz PVWXTDNGGXILEY-IYXRBSQSSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@@H](Nc1nc(Cl)nc2c1CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001170563899 763840566 /nfs/dbraw/zinc/84/05/66/763840566.db2.gz OCYKVISCUBMRSH-BXKDBHETSA-N 1 3 311.817 0.607 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001100901895 763848083 /nfs/dbraw/zinc/84/80/83/763848083.db2.gz SXRYYRNWNNETDW-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@H](C)[C@H]2CNCCO2)cc1 ZINC001170573192 763881400 /nfs/dbraw/zinc/88/14/00/763881400.db2.gz JPVDBLKZDBKKIL-IVMMDQJWSA-N 1 3 321.421 0.766 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001092011234 768181890 /nfs/dbraw/zinc/18/18/90/768181890.db2.gz UMPTXIXYHWMXNK-INMHGKMJSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1 ZINC001092011234 768181894 /nfs/dbraw/zinc/18/18/94/768181894.db2.gz UMPTXIXYHWMXNK-INMHGKMJSA-N 1 3 309.454 0.633 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790876 764014290 /nfs/dbraw/zinc/01/42/90/764014290.db2.gz XISXZHOKEPBZDM-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)CC[N@H+](C)C2CCCCC2)C1=O ZINC001131822316 764045091 /nfs/dbraw/zinc/04/50/91/764045091.db2.gz MVLSDQUKIQYCEG-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)CC[N@@H+](C)C2CCCCC2)C1=O ZINC001131822316 764045101 /nfs/dbraw/zinc/04/51/01/764045101.db2.gz MVLSDQUKIQYCEG-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375241 764076747 /nfs/dbraw/zinc/07/67/47/764076747.db2.gz IREIRJUGYSVPJP-VBQJREDUSA-N 1 3 320.437 0.894 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375241 764076753 /nfs/dbraw/zinc/07/67/53/764076753.db2.gz IREIRJUGYSVPJP-VBQJREDUSA-N 1 3 320.437 0.894 20 0 DCADHO COCCN1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132425790 764453305 /nfs/dbraw/zinc/45/33/05/764453305.db2.gz MFEUMCPZQGECEL-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO CCNC(=O)CN1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047825 764507571 /nfs/dbraw/zinc/50/75/71/764507571.db2.gz UKLWVUZTWPCBHX-XPKDYRNWSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320510 764597229 /nfs/dbraw/zinc/59/72/29/764597229.db2.gz FWYLHECWGVVUTL-MGPQQGTHSA-N 1 3 312.458 0.099 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001132738151 764615384 /nfs/dbraw/zinc/61/53/84/764615384.db2.gz VYPZWVXFZLPCCA-OAHLLOKOSA-N 1 3 324.469 0.340 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001132738151 764615390 /nfs/dbraw/zinc/61/53/90/764615390.db2.gz VYPZWVXFZLPCCA-OAHLLOKOSA-N 1 3 324.469 0.340 20 0 DCADHO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CN(C(C)C)CCO2)ncn1 ZINC001132848583 764688805 /nfs/dbraw/zinc/68/88/05/764688805.db2.gz LGYZKLWFTZKVMJ-HNNXBMFYSA-N 1 3 321.425 0.100 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102601231 764720608 /nfs/dbraw/zinc/72/06/08/764720608.db2.gz RZEKHNHROYGDSS-HUUCEWRRSA-N 1 3 322.457 0.302 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102601231 764720611 /nfs/dbraw/zinc/72/06/11/764720611.db2.gz RZEKHNHROYGDSS-HUUCEWRRSA-N 1 3 322.457 0.302 20 0 DCADHO Cc1cc(C[NH2+]CCNC(=O)c2occc2CN(C)C)ncn1 ZINC001132984097 764770459 /nfs/dbraw/zinc/77/04/59/764770459.db2.gz XYHJBVZVYMRFAA-UHFFFAOYSA-N 1 3 317.393 0.959 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCc2ccc(C(N)=O)cc2)CC1 ZINC001132993251 764780941 /nfs/dbraw/zinc/78/09/41/764780941.db2.gz PVKCCFOMOOJJRT-UHFFFAOYSA-N 1 3 318.421 0.333 20 0 DCADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001132994954 764782894 /nfs/dbraw/zinc/78/28/94/764782894.db2.gz HNFDLYASXRRECJ-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCc1ccc2nonc2c1 ZINC001133042573 764799293 /nfs/dbraw/zinc/79/92/93/764799293.db2.gz JEOSAMKMVFHQHM-UHFFFAOYSA-N 1 3 305.382 0.770 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285939 764905947 /nfs/dbraw/zinc/90/59/47/764905947.db2.gz PCXBYNDTNATBBF-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133833588 765162139 /nfs/dbraw/zinc/16/21/39/765162139.db2.gz ABGDNVKCSYNYPM-CABCVRRESA-N 1 3 315.458 0.210 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccnc(N(C)C)c2)C1 ZINC001133854013 765173552 /nfs/dbraw/zinc/17/35/52/765173552.db2.gz VROQJZDUTJMZQK-CQSZACIVSA-N 1 3 319.453 0.695 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)CC(C)(C)C ZINC001133907848 765220050 /nfs/dbraw/zinc/22/00/50/765220050.db2.gz AQSNVPNSTOWXAK-CYBMUJFWSA-N 1 3 322.457 0.449 20 0 DCADHO C[C@@H](O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159927 765468224 /nfs/dbraw/zinc/46/82/24/765468224.db2.gz IFAXJLGJDQPXAB-GMTAPVOTSA-N 1 3 311.348 0.298 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1)C1CC1 ZINC001112399373 765524710 /nfs/dbraw/zinc/52/47/10/765524710.db2.gz QRZSGOJTMXOHDG-BQFCYCMXSA-N 1 3 323.481 0.927 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112437123 765532680 /nfs/dbraw/zinc/53/26/80/765532680.db2.gz YOJSOPUTYSUCOQ-YOEHRIQHSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)C1(N(C)C)CCC1 ZINC001134583084 765579439 /nfs/dbraw/zinc/57/94/39/765579439.db2.gz FLFDGOUREBXSOE-KBPBESRZSA-N 1 3 315.458 0.353 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001134774055 765666934 /nfs/dbraw/zinc/66/69/34/765666934.db2.gz UMOOYWXORMLQQJ-NEPJUHHUSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001134783193 765672980 /nfs/dbraw/zinc/67/29/80/765672980.db2.gz RXAGWIVDZPPPPH-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N1CCN(c2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)cn2)CC1 ZINC001170778253 765725968 /nfs/dbraw/zinc/72/59/68/765725968.db2.gz GDEOFZQWMRYZTQ-ZBFHGGJFSA-N 1 3 319.453 0.604 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124867630 768317609 /nfs/dbraw/zinc/31/76/09/768317609.db2.gz WRIAYYKQYFAPED-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001124878482 768320654 /nfs/dbraw/zinc/32/06/54/768320654.db2.gz MZKSRGRXZMIESI-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nn(CCO)c(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001116919854 765927432 /nfs/dbraw/zinc/92/74/32/765927432.db2.gz ITOXWZOZCLSOQQ-UHFFFAOYSA-N 1 3 323.485 0.608 20 0 DCADHO CC[C@H](NCCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C(N)=O ZINC001135474364 765940083 /nfs/dbraw/zinc/94/00/83/765940083.db2.gz OBKCCCCAAQBWEL-STQMWFEESA-N 1 3 300.447 0.323 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(=O)N1CCC1)C(C)C ZINC001135478265 765950401 /nfs/dbraw/zinc/95/04/01/765950401.db2.gz YVTDZDXIPIQYRU-OAHLLOKOSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001120633491 767099868 /nfs/dbraw/zinc/09/98/68/767099868.db2.gz KUBARDHFYOXPDX-RBSFLKMASA-N 1 3 312.458 0.745 20 0 DCADHO C[C@H]([NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1)C(N)=O ZINC001121238403 767476278 /nfs/dbraw/zinc/47/62/78/767476278.db2.gz MDUDYFYKJIAAMA-KWDKGFIESA-N 1 3 322.453 0.362 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(=O)NC)C2)N(C)C ZINC001121302263 767503575 /nfs/dbraw/zinc/50/35/75/767503575.db2.gz VEBNDXCJFLHAAH-WXQWYESMSA-N 1 3 324.469 0.478 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2)N(C)C ZINC001121707300 767623886 /nfs/dbraw/zinc/62/38/86/767623886.db2.gz GSCAAQDANRABMZ-JEJCEMRNSA-N 1 3 324.469 0.463 20 0 DCADHO CN1CCNC[C@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001121998247 767692933 /nfs/dbraw/zinc/69/29/33/767692933.db2.gz UFEZRDOLZBFFIV-INIZCTEOSA-N 1 3 320.437 0.859 20 0 DCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773913 768398122 /nfs/dbraw/zinc/39/81/22/768398122.db2.gz ZQOSYCONHHECTO-MGPQQGTHSA-N 1 3 322.453 0.173 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)N(C)CC)CC1 ZINC001203005641 768514397 /nfs/dbraw/zinc/51/43/97/768514397.db2.gz SJYWFMLZJZOKDT-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203035679 768529085 /nfs/dbraw/zinc/52/90/85/768529085.db2.gz FNDCSWOKWMHYGT-KBPBESRZSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCN(CCC(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001143230437 768697344 /nfs/dbraw/zinc/69/73/44/768697344.db2.gz IKVSZKZICRJTBY-UHFFFAOYSA-N 1 3 320.481 0.568 20 0 DCADHO CN1CCN(CCC(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001143230437 768697348 /nfs/dbraw/zinc/69/73/48/768697348.db2.gz IKVSZKZICRJTBY-UHFFFAOYSA-N 1 3 320.481 0.568 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)COC)CCCO1 ZINC001150546366 769120011 /nfs/dbraw/zinc/12/00/11/769120011.db2.gz DMGYUOOYUGQONI-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)COC)CCCO1 ZINC001150546366 769120015 /nfs/dbraw/zinc/12/00/15/769120015.db2.gz DMGYUOOYUGQONI-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)c1ccco1 ZINC001151064678 769249746 /nfs/dbraw/zinc/24/97/46/769249746.db2.gz CYGHIEYMMGBLOF-OLZOCXBDSA-N 1 3 322.409 0.114 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccco1 ZINC001151064678 769249754 /nfs/dbraw/zinc/24/97/54/769249754.db2.gz CYGHIEYMMGBLOF-OLZOCXBDSA-N 1 3 322.409 0.114 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC)N(C)C ZINC001171500959 769311162 /nfs/dbraw/zinc/31/11/62/769311162.db2.gz OAIVJXWLFCQRIF-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N(C)C(C)C ZINC001171763348 769371078 /nfs/dbraw/zinc/37/10/78/769371078.db2.gz ZOHMRNGCLKKZDK-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)CCC ZINC001171770386 769373471 /nfs/dbraw/zinc/37/34/71/769373471.db2.gz PKFRQNIRGOPTRC-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CCOCCO)c1 ZINC001152245813 769514746 /nfs/dbraw/zinc/51/47/46/769514746.db2.gz MVIFLHQDIZQBPY-UHFFFAOYSA-N 1 3 309.410 0.077 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152348222 769533158 /nfs/dbraw/zinc/53/31/58/769533158.db2.gz MQWSEQFXEORVNN-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CNC(=O)c1ccc(C[NH2+]CCNC(=O)CN(C)C(C)C)cc1 ZINC001152439574 769555456 /nfs/dbraw/zinc/55/54/56/769555456.db2.gz OFOMPFRAYJFASK-UHFFFAOYSA-N 1 3 320.437 0.592 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC001152445653 769557367 /nfs/dbraw/zinc/55/73/67/769557367.db2.gz LYWCOPAJMAGMCB-CYBMUJFWSA-N 1 3 324.425 0.330 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445706 769558631 /nfs/dbraw/zinc/55/86/31/769558631.db2.gz NNMCYXVDOCYQEE-CYBMUJFWSA-N 1 3 314.474 0.726 20 0 DCADHO CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCCN2CC)C1=O ZINC001152457367 769563800 /nfs/dbraw/zinc/56/38/00/769563800.db2.gz CQAMKBRZFVPDHB-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCCN2CC)C1=O ZINC001152457366 769564208 /nfs/dbraw/zinc/56/42/08/769564208.db2.gz CQAMKBRZFVPDHB-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001152471300 769571251 /nfs/dbraw/zinc/57/12/51/769571251.db2.gz KQSCHUTTWBOHGM-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001152479034 769572886 /nfs/dbraw/zinc/57/28/86/769572886.db2.gz AKLQEYHZUJANSC-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001152479121 769573058 /nfs/dbraw/zinc/57/30/58/769573058.db2.gz CGELXKZTQAUEJF-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)C1 ZINC001173360496 769603905 /nfs/dbraw/zinc/60/39/05/769603905.db2.gz IWECMTZFVMDBOK-HNNXBMFYSA-N 1 3 319.453 0.605 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)C1 ZINC001173360496 769603912 /nfs/dbraw/zinc/60/39/12/769603912.db2.gz IWECMTZFVMDBOK-HNNXBMFYSA-N 1 3 319.453 0.605 20 0 DCADHO CO[C@@H](C)CN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195414 769637128 /nfs/dbraw/zinc/63/71/28/769637128.db2.gz ZXJXMQYNMZEIAW-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)Cc2nc[nH]c2C)n1 ZINC001174683278 769778384 /nfs/dbraw/zinc/77/83/84/769778384.db2.gz SUTOSLXOYKJTBG-UHFFFAOYSA-N 1 3 320.397 0.681 20 0 DCADHO [NH3+]CCN1CCC2(CC1)COCCN(Cc1cccnc1)C2 ZINC001235634984 769918929 /nfs/dbraw/zinc/91/89/29/769918929.db2.gz GWLWZGGOLSHKMI-UHFFFAOYSA-N 1 3 304.438 0.955 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001176058133 770026348 /nfs/dbraw/zinc/02/63/48/770026348.db2.gz VHCJIOIIQYZHPZ-ZDUSSCGKSA-N 1 3 305.426 0.377 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCCNCc2cc3n(n2)CCC3)C1 ZINC001176058133 770026362 /nfs/dbraw/zinc/02/63/62/770026362.db2.gz VHCJIOIIQYZHPZ-ZDUSSCGKSA-N 1 3 305.426 0.377 20 0 DCADHO Nc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001238240350 770108817 /nfs/dbraw/zinc/10/88/17/770108817.db2.gz HDLFKZJENWXKQO-ZDUSSCGKSA-N 1 3 324.450 0.421 20 0 DCADHO Nc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001238240350 770108818 /nfs/dbraw/zinc/10/88/18/770108818.db2.gz HDLFKZJENWXKQO-ZDUSSCGKSA-N 1 3 324.450 0.421 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC001238806910 770130162 /nfs/dbraw/zinc/13/01/62/770130162.db2.gz AMSVCSBDSLKIHY-CQSZACIVSA-N 1 3 315.483 0.922 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC001238879175 770139756 /nfs/dbraw/zinc/13/97/56/770139756.db2.gz QSUXINAZSXDHPK-UHFFFAOYSA-N 1 3 307.366 0.572 20 0 DCADHO CN1Cc2cccc(C(=O)N(CCCC[NH3+])C(=N)N)c2C1=O ZINC001154330132 770143994 /nfs/dbraw/zinc/14/39/94/770143994.db2.gz DAWGDKXIGNYFES-UHFFFAOYSA-N 1 3 303.366 0.347 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnnn1C ZINC001176752870 770168731 /nfs/dbraw/zinc/16/87/31/770168731.db2.gz AHEVPOBIKURHAZ-AWEZNQCLSA-N 1 3 324.473 0.920 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](C)O)CCCO1 ZINC001150625353 770171111 /nfs/dbraw/zinc/17/11/11/770171111.db2.gz LDKUFGWXPSQOET-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](C)O)CCCO1 ZINC001150625353 770171118 /nfs/dbraw/zinc/17/11/18/770171118.db2.gz LDKUFGWXPSQOET-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(C)[C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239123871 770188756 /nfs/dbraw/zinc/18/87/56/770188756.db2.gz QTBRBNSJSJJMGG-CQSZACIVSA-N 1 3 303.472 0.730 20 0 DCADHO CC[C@@H]([NH2+]CCCNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001176890335 770212412 /nfs/dbraw/zinc/21/24/12/770212412.db2.gz QUQXPRWNPKRVDV-OAHLLOKOSA-N 1 3 320.437 0.722 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)c1ccccc1CN(C)C)C(N)=O ZINC001176948200 770249872 /nfs/dbraw/zinc/24/98/72/770249872.db2.gz KFNAFVLERNZQIT-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cncn1C ZINC001176986247 770271665 /nfs/dbraw/zinc/27/16/65/770271665.db2.gz IUFAFXWBFWDZEK-HNNXBMFYSA-N 1 3 307.442 0.890 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001176986824 770273568 /nfs/dbraw/zinc/27/35/68/770273568.db2.gz WWCBERJJAFQVEG-HNNXBMFYSA-N 1 3 307.442 0.890 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176986538 770274645 /nfs/dbraw/zinc/27/46/45/770274645.db2.gz QNPCCJPODVKXCZ-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CCN(CCn1nc(C)nc1C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000015 770363100 /nfs/dbraw/zinc/36/31/00/770363100.db2.gz VCMLIXRTVQXPJL-CYBMUJFWSA-N 1 3 324.473 0.673 20 0 DCADHO c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc(N2CCOCC2)c1 ZINC001155483493 770519288 /nfs/dbraw/zinc/51/92/88/770519288.db2.gz NUZXWLMDKPALPU-MGPQQGTHSA-N 1 3 304.394 0.565 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C(C)(C)c1cnccn1 ZINC001178199769 770672247 /nfs/dbraw/zinc/67/22/47/770672247.db2.gz BJYKSSPCDBQNHP-UHFFFAOYSA-N 1 3 306.414 0.818 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902428 770899214 /nfs/dbraw/zinc/89/92/14/770899214.db2.gz PSOVMYQCNRGJDF-DYEKYZERSA-N 1 3 310.442 0.184 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179209901 770964241 /nfs/dbraw/zinc/96/42/41/770964241.db2.gz RTXCPDFRGYHZOY-DUVNUKRYSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001179239206 770973437 /nfs/dbraw/zinc/97/34/37/770973437.db2.gz WSAMTSVCYZCIMC-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H]1C ZINC001179986621 771043573 /nfs/dbraw/zinc/04/35/73/771043573.db2.gz BKNXTIIOBVZNGK-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCOCC(F)F)CCN1C(=O)CN1CCCC1 ZINC001180131441 771060591 /nfs/dbraw/zinc/06/05/91/771060591.db2.gz DWTSPRODFLWLEO-STQMWFEESA-N 1 3 319.396 0.943 20 0 DCADHO CCN(CC)CC(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001180388562 771111073 /nfs/dbraw/zinc/11/10/73/771111073.db2.gz OJGMDTIPVXNPFS-CQSZACIVSA-N 1 3 307.442 0.745 20 0 DCADHO CCC(CC)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181674192 771330572 /nfs/dbraw/zinc/33/05/72/771330572.db2.gz LWDNXKGOENVIGZ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001182638203 771519820 /nfs/dbraw/zinc/51/98/20/771519820.db2.gz ZFEHYQWKGMMZLT-NFFDBFGFSA-N 1 3 312.458 0.275 20 0 DCADHO CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157536006 771628068 /nfs/dbraw/zinc/62/80/68/771628068.db2.gz GJVFCPMRXZUOGD-RDBSUJKOSA-N 1 3 308.401 0.390 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001157721572 771659388 /nfs/dbraw/zinc/65/93/88/771659388.db2.gz ZWCDROZZAWTENX-IXDOHACOSA-N 1 3 317.433 0.969 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@](F)(C[NH3+])CC2)C1=O ZINC001157745070 771662543 /nfs/dbraw/zinc/66/25/43/771662543.db2.gz LGJZZIJZDVEGCJ-SWLSCSKDSA-N 1 3 314.405 0.006 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)C2CC2)C1)N(C)C ZINC001183591824 771672663 /nfs/dbraw/zinc/67/26/63/771672663.db2.gz MKIZYPZCDGCAIW-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183758923 771696415 /nfs/dbraw/zinc/69/64/15/771696415.db2.gz AGXAETPLQWSPKF-CYBMUJFWSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183758923 771696419 /nfs/dbraw/zinc/69/64/19/771696419.db2.gz AGXAETPLQWSPKF-CYBMUJFWSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158039699 771717715 /nfs/dbraw/zinc/71/77/15/771717715.db2.gz TZJMXDFSWVYEFZ-KBPBESRZSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158039699 771717719 /nfs/dbraw/zinc/71/77/19/771717719.db2.gz TZJMXDFSWVYEFZ-KBPBESRZSA-N 1 3 320.441 0.285 20 0 DCADHO CN1CC[C@H]([NH2+]CCCNC(=O)C(C)(C)N2CCCCC2)C1=O ZINC001158080151 771722559 /nfs/dbraw/zinc/72/25/59/771722559.db2.gz ZGNKNMUWGXYZPR-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO NC(=[NH2+])NCCCCC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158336396 771761207 /nfs/dbraw/zinc/76/12/07/771761207.db2.gz KEWABRWZVHGJJY-LSDHHAIUSA-N 1 3 315.421 0.738 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001158420588 771772042 /nfs/dbraw/zinc/77/20/42/771772042.db2.gz GISNUYVTJZPUEP-TZMCWYRMSA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001158420588 771772044 /nfs/dbraw/zinc/77/20/44/771772044.db2.gz GISNUYVTJZPUEP-TZMCWYRMSA-N 1 3 321.425 0.421 20 0 DCADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001158533319 771786595 /nfs/dbraw/zinc/78/65/95/771786595.db2.gz KCFNBCPLEUAGLV-WWGRRREGSA-N 1 3 311.426 0.600 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545880 771788043 /nfs/dbraw/zinc/78/80/43/771788043.db2.gz FPWGJTMXOONIOZ-LZLYRXPVSA-N 1 3 313.401 0.883 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184555447 771798431 /nfs/dbraw/zinc/79/84/31/771798431.db2.gz LDWOLTVCCSZHQY-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)C1(CC(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CCCC1 ZINC001184628527 771808529 /nfs/dbraw/zinc/80/85/29/771808529.db2.gz LLABMODNYYUNRX-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(N)=O ZINC001184628616 771808709 /nfs/dbraw/zinc/80/87/09/771808709.db2.gz MTTWJASGOVLQLA-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001185207130 771879215 /nfs/dbraw/zinc/87/92/15/771879215.db2.gz WBXVDMHTEXHROD-STQMWFEESA-N 1 3 321.425 0.115 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CCOCCO ZINC001185207218 771879346 /nfs/dbraw/zinc/87/93/46/771879346.db2.gz WWGUCUWRVVAVDL-KGLIPLIRSA-N 1 3 324.425 0.035 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230447 771882444 /nfs/dbraw/zinc/88/24/44/771882444.db2.gz SSVGESFWOJNZPK-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCNCc1nccn1C ZINC001159329120 771897604 /nfs/dbraw/zinc/89/76/04/771897604.db2.gz YTSDLFBLWAGGSC-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCNCc1nccn1C ZINC001159329120 771897607 /nfs/dbraw/zinc/89/76/07/771897607.db2.gz YTSDLFBLWAGGSC-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)CC1 ZINC001185401594 771911943 /nfs/dbraw/zinc/91/19/43/771911943.db2.gz UIDHCCWHTIFRBW-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001185415697 771916862 /nfs/dbraw/zinc/91/68/62/771916862.db2.gz FDSANTMAFGYOAH-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H](C)N)CC[C@@H]21 ZINC001159532933 771925265 /nfs/dbraw/zinc/92/52/65/771925265.db2.gz CBUCLMGWXJKMMZ-WCVJEAGWSA-N 1 3 319.453 0.930 20 0 DCADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H](C)N)CC[C@@H]21 ZINC001159532933 771925266 /nfs/dbraw/zinc/92/52/66/771925266.db2.gz CBUCLMGWXJKMMZ-WCVJEAGWSA-N 1 3 319.453 0.930 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1)N(C)C ZINC001185716544 771948785 /nfs/dbraw/zinc/94/87/85/771948785.db2.gz YJAJGJFJKMLGMF-CFVMTHIKSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)ncn1 ZINC001159931166 771978925 /nfs/dbraw/zinc/97/89/25/771978925.db2.gz ACBUFPCJVBINID-OAHLLOKOSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)ncn1 ZINC001159931165 771979111 /nfs/dbraw/zinc/97/91/11/771979111.db2.gz ACBUFPCJVBINID-HNNXBMFYSA-N 1 3 305.426 0.721 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001160003135 771986260 /nfs/dbraw/zinc/98/62/60/771986260.db2.gz DTDUNVXFSBEHEJ-CQSZACIVSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H](N)C(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001160370855 772029390 /nfs/dbraw/zinc/02/93/90/772029390.db2.gz CCMHCVYHGVJTSV-GFCCVEGCSA-N 1 3 309.414 0.041 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)C1=O ZINC001160426468 772035594 /nfs/dbraw/zinc/03/55/94/772035594.db2.gz GEVGLGXYCMAVHZ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001160426894 772036152 /nfs/dbraw/zinc/03/61/52/772036152.db2.gz JZBGLYLTAODAMM-KGLIPLIRSA-N 1 3 314.474 0.713 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(=O)C(F)(F)C1 ZINC001160664141 772090392 /nfs/dbraw/zinc/09/03/92/772090392.db2.gz NFZBQOSKNSVLHG-JTQLQIEISA-N 1 3 301.337 0.297 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCCC2)C1 ZINC001186809188 772090781 /nfs/dbraw/zinc/09/07/81/772090781.db2.gz XLEAJJNXIYAGNT-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCCC2)C1 ZINC001186809188 772090787 /nfs/dbraw/zinc/09/07/87/772090787.db2.gz XLEAJJNXIYAGNT-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1 ZINC001160839269 772119759 /nfs/dbraw/zinc/11/97/59/772119759.db2.gz RVUSGJPUUVANRK-QJPTWQEYSA-N 1 3 323.359 0.706 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN2CCc3ccccc3[C@@H]2C1 ZINC001160847990 772122479 /nfs/dbraw/zinc/12/24/79/772122479.db2.gz BNQJKQCOWFMRLF-CVEARBPZSA-N 1 3 302.422 0.494 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160866316 772127870 /nfs/dbraw/zinc/12/78/70/772127870.db2.gz ANUMFPCPGGJGPB-ZFWWWQNUSA-N 1 3 320.441 0.428 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160866316 772127874 /nfs/dbraw/zinc/12/78/74/772127874.db2.gz ANUMFPCPGGJGPB-ZFWWWQNUSA-N 1 3 320.441 0.428 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001160883671 772132032 /nfs/dbraw/zinc/13/20/32/772132032.db2.gz SGBLUGILTCQJSO-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160882947 772132238 /nfs/dbraw/zinc/13/22/38/772132238.db2.gz BVASAVSJTFSWQP-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187084063 772134874 /nfs/dbraw/zinc/13/48/74/772134874.db2.gz XEYVBWRORVVWRL-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187084063 772134876 /nfs/dbraw/zinc/13/48/76/772134876.db2.gz XEYVBWRORVVWRL-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO N[C@H](C(=O)N(c1ncccn1)C1C[NH2+]C1)C1Cc2ccccc2C1 ZINC001160915561 772137096 /nfs/dbraw/zinc/13/70/96/772137096.db2.gz CUTYAMQCIIDRSZ-INIZCTEOSA-N 1 3 323.400 0.524 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N2C[C@H]([NH3+])CC(F)(F)C2)cn1 ZINC001160967502 772144172 /nfs/dbraw/zinc/14/41/72/772144172.db2.gz MTYDDMVIZPTLBF-MNOVXSKESA-N 1 3 314.336 0.675 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161082352 772163181 /nfs/dbraw/zinc/16/31/81/772163181.db2.gz NPJZEUJEPZMJFP-JLNYLFASSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161082352 772163185 /nfs/dbraw/zinc/16/31/85/772163185.db2.gz NPJZEUJEPZMJFP-JLNYLFASSA-N 1 3 310.442 0.029 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001187298314 772170883 /nfs/dbraw/zinc/17/08/83/772170883.db2.gz BHOQZYQQAABGBZ-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001187298314 772170886 /nfs/dbraw/zinc/17/08/86/772170886.db2.gz BHOQZYQQAABGBZ-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO N[C@@H](C(=O)N1CCOC[C@H]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161143615 772175241 /nfs/dbraw/zinc/17/52/41/772175241.db2.gz BJKNMSSJCQKZHK-IAGOWNOFSA-N 1 3 317.433 0.783 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC001161144084 772175297 /nfs/dbraw/zinc/17/52/97/772175297.db2.gz GSMLBRHKJBLIHT-CABCVRRESA-N 1 3 323.462 0.476 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)C3CCC(O)CC3)C[C@H]2C1 ZINC001161174678 772181020 /nfs/dbraw/zinc/18/10/20/772181020.db2.gz CFHGIQCYUNSBCQ-BJWPUDQFSA-N 1 3 309.454 0.665 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)C3CCC(O)CC3)C[C@H]2C1 ZINC001161174678 772181021 /nfs/dbraw/zinc/18/10/21/772181021.db2.gz CFHGIQCYUNSBCQ-BJWPUDQFSA-N 1 3 309.454 0.665 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC2=CC[N@H+](CCCO)CC2)C1 ZINC001161207017 772184362 /nfs/dbraw/zinc/18/43/62/772184362.db2.gz OYEPKJKTBQPHKD-OAHLLOKOSA-N 1 3 309.454 0.849 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC2=CC[N@@H+](CCCO)CC2)C1 ZINC001161207017 772184366 /nfs/dbraw/zinc/18/43/66/772184366.db2.gz OYEPKJKTBQPHKD-OAHLLOKOSA-N 1 3 309.454 0.849 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@](F)(C[NH3+])C2)cc1 ZINC001161238990 772188681 /nfs/dbraw/zinc/18/86/81/772188681.db2.gz FMGPIVNPBLYMPI-HOCLYGCPSA-N 1 3 309.385 0.854 20 0 DCADHO CN1CCNC[C@H]1C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322003 772203635 /nfs/dbraw/zinc/20/36/35/772203635.db2.gz IOTJXNMAWFXVDI-DZKIICNBSA-N 1 3 324.469 0.168 20 0 DCADHO COc1ccc(O[C@@H]2CCCN(C(=O)[C@@H](N)CCC[NH3+])C2)nc1 ZINC001161368001 772212129 /nfs/dbraw/zinc/21/21/29/772212129.db2.gz ARWDCDGPWFRKOF-KGLIPLIRSA-N 1 3 322.409 0.526 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842501 772232799 /nfs/dbraw/zinc/23/27/99/772232799.db2.gz OAJXBELSEZENAS-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO N[C@@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001161509107 772237217 /nfs/dbraw/zinc/23/72/17/772237217.db2.gz ICCVBLZOAQHODL-JQOLXWHASA-N 1 3 319.449 0.716 20 0 DCADHO CN[C@@H](CO)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584567 772249203 /nfs/dbraw/zinc/24/92/03/772249203.db2.gz FIJWJBQVHFRARW-HNNXBMFYSA-N 1 3 303.406 0.230 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001188158671 772277259 /nfs/dbraw/zinc/27/72/59/772277259.db2.gz TZYYFPUQAIUQFM-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001188346135 772290997 /nfs/dbraw/zinc/29/09/97/772290997.db2.gz AJDFEIPSGFOFAL-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(NCCCNCc1cnon1)c1ccn2c[nH+]cc2c1 ZINC001161872947 772293328 /nfs/dbraw/zinc/29/33/28/772293328.db2.gz PYNZVRPLZGSJRA-UHFFFAOYSA-N 1 3 300.322 0.627 20 0 DCADHO CC[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872556 772428314 /nfs/dbraw/zinc/42/83/14/772428314.db2.gz WBZHIEQIKDNLBL-HCEZTOJASA-N 1 3 309.454 0.992 20 0 DCADHO COCCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389362 772463131 /nfs/dbraw/zinc/46/31/31/772463131.db2.gz JMRIUPRTOOAKEM-CABCVRRESA-N 1 3 313.442 0.276 20 0 DCADHO COCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001189389362 772463132 /nfs/dbraw/zinc/46/31/32/772463132.db2.gz JMRIUPRTOOAKEM-CABCVRRESA-N 1 3 313.442 0.276 20 0 DCADHO O=c1[nH]cc2[nH]c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc1-2 ZINC001163272295 772496729 /nfs/dbraw/zinc/49/67/29/772496729.db2.gz VDOJHUZNFWRXBO-BDJLRTHQSA-N 1 3 302.378 0.896 20 0 DCADHO c1cc2c(nc1N[C@H]1CCO[C@]3(CC[NH2+]C3)C1)OCCNC2 ZINC001163311116 772504733 /nfs/dbraw/zinc/50/47/33/772504733.db2.gz QQMILNMWBMMOBP-XJKSGUPXSA-N 1 3 304.394 0.887 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675373 772663017 /nfs/dbraw/zinc/66/30/17/772663017.db2.gz LQXCMPYXRMUADA-HUUCEWRRSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001190675373 772663021 /nfs/dbraw/zinc/66/30/21/772663021.db2.gz LQXCMPYXRMUADA-HUUCEWRRSA-N 1 3 313.442 0.011 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001190776586 772677189 /nfs/dbraw/zinc/67/71/89/772677189.db2.gz QDLKAIXLIUBRHZ-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001190776586 772677190 /nfs/dbraw/zinc/67/71/90/772677190.db2.gz QDLKAIXLIUBRHZ-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO CC1(c2cccc(C(=O)N(CCCC[NH3+])C(=N)N)n2)OCCO1 ZINC001190859852 772689225 /nfs/dbraw/zinc/68/92/25/772689225.db2.gz XIFGCQWSBQMURO-UHFFFAOYSA-N 1 3 321.381 0.376 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001166626127 772830255 /nfs/dbraw/zinc/83/02/55/772830255.db2.gz BFOJFUHYBGSAOH-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001166627089 772831023 /nfs/dbraw/zinc/83/10/23/772831023.db2.gz PSALGAMNAVZKBR-CHWSQXEVSA-N 1 3 319.396 0.991 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744539 772855758 /nfs/dbraw/zinc/85/57/58/772855758.db2.gz ZBKGSTIGHOZTRM-UHFFFAOYSA-N 1 3 314.474 0.539 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203704911 772920137 /nfs/dbraw/zinc/92/01/37/772920137.db2.gz GFRLKUAXSLZMFY-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC001192947548 772977440 /nfs/dbraw/zinc/97/74/40/772977440.db2.gz JRBWTKDWFUQLAP-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC001192947548 772977444 /nfs/dbraw/zinc/97/74/44/772977444.db2.gz JRBWTKDWFUQLAP-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO [NH3+]C[C@@]1(O)CCCN(Cc2cccc(N3CCOCC3)n2)CC1 ZINC001205247779 772984773 /nfs/dbraw/zinc/98/47/73/772984773.db2.gz JBKFOXLEVKJCGN-QGZVFWFLSA-N 1 3 320.437 0.594 20 0 DCADHO CCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024290 772997179 /nfs/dbraw/zinc/99/71/79/772997179.db2.gz JYYQGCFLZNKLNA-ARFHVFGLSA-N 1 3 309.454 0.680 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206274622 773061471 /nfs/dbraw/zinc/06/14/71/773061471.db2.gz KQPGRVGPYUZJFG-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CCN1C[C@@H]2C[N@@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001207452325 773211422 /nfs/dbraw/zinc/21/14/22/773211422.db2.gz WBGZWIXROPIJEX-GASCZTMLSA-N 1 3 315.483 0.542 20 0 DCADHO CCN1C[C@@H]2C[N@H+](CC3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001207452325 773211425 /nfs/dbraw/zinc/21/14/25/773211425.db2.gz WBGZWIXROPIJEX-GASCZTMLSA-N 1 3 315.483 0.542 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688172 773270300 /nfs/dbraw/zinc/27/03/00/773270300.db2.gz MOXKPVUJDWXQPC-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687690 773270361 /nfs/dbraw/zinc/27/03/61/773270361.db2.gz ILYPYRGGCUSNHT-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687196 773270487 /nfs/dbraw/zinc/27/04/87/773270487.db2.gz BELZPUOQVVBRQN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687689 773270505 /nfs/dbraw/zinc/27/05/05/773270505.db2.gz ILYPYRGGCUSNHT-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)CCCC1 ZINC001195006936 773305456 /nfs/dbraw/zinc/30/54/56/773305456.db2.gz TZTBXYIPNWVKRO-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001208048381 773386655 /nfs/dbraw/zinc/38/66/55/773386655.db2.gz HSABODUXRVPMAK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334537 773435720 /nfs/dbraw/zinc/43/57/20/773435720.db2.gz JMFHSSALDZITAE-ZBFHGGJFSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001208411629 773455703 /nfs/dbraw/zinc/45/57/03/773455703.db2.gz ZHYSECOSZOTFRI-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CC(CN2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001195677076 773456031 /nfs/dbraw/zinc/45/60/31/773456031.db2.gz MAZGZBJRQYPBKZ-NEXFUWMNSA-N 1 3 309.454 0.536 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208454530 773466762 /nfs/dbraw/zinc/46/67/62/773466762.db2.gz XJHCDKVXVOIFHZ-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208454530 773466767 /nfs/dbraw/zinc/46/67/67/773466767.db2.gz XJHCDKVXVOIFHZ-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001209305218 773589131 /nfs/dbraw/zinc/58/91/31/773589131.db2.gz WMPQRZJYLUTEID-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631911 773627354 /nfs/dbraw/zinc/62/73/54/773627354.db2.gz IHHJVICKWUQPRC-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643815 773629552 /nfs/dbraw/zinc/62/95/52/773629552.db2.gz WOOQWPGWBVNXRE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001210216887 773685805 /nfs/dbraw/zinc/68/58/05/773685805.db2.gz BIWNCWAVQSMNIX-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001210219759 773686850 /nfs/dbraw/zinc/68/68/50/773686850.db2.gz UHGYTYJZSFNYBI-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001210482285 773711522 /nfs/dbraw/zinc/71/15/22/773711522.db2.gz LRESIEBEKPIRLZ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001210482285 773711528 /nfs/dbraw/zinc/71/15/28/773711528.db2.gz LRESIEBEKPIRLZ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001210751252 773735350 /nfs/dbraw/zinc/73/53/50/773735350.db2.gz WOLACDFFTVPNNC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001210788349 773738631 /nfs/dbraw/zinc/73/86/31/773738631.db2.gz BTBZKQWCUGGVEJ-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001210788962 773739067 /nfs/dbraw/zinc/73/90/67/773739067.db2.gz KRGVUWMMYFWKRX-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064000 773764691 /nfs/dbraw/zinc/76/46/91/773764691.db2.gz GBVQFZXRTOVJBJ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064000 773764693 /nfs/dbraw/zinc/76/46/93/773764693.db2.gz GBVQFZXRTOVJBJ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1OC ZINC001213756326 773883054 /nfs/dbraw/zinc/88/30/54/773883054.db2.gz RWFQNAXFZORUGN-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1OC ZINC001213756326 773883060 /nfs/dbraw/zinc/88/30/60/773883060.db2.gz RWFQNAXFZORUGN-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001152457427 773932736 /nfs/dbraw/zinc/93/27/36/773932736.db2.gz DODAHUUZALQCKN-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214343644 773961939 /nfs/dbraw/zinc/96/19/39/773961939.db2.gz BPIMBEJVOPESCG-MCIONIFRSA-N 1 3 310.442 0.042 20 0 DCADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203924541 774015342 /nfs/dbraw/zinc/01/53/42/774015342.db2.gz BYMMEFFTYYTNBI-UHFFFAOYSA-N 1 3 322.457 0.719 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216216792 774109071 /nfs/dbraw/zinc/10/90/71/774109071.db2.gz AMERECHGPOLRQS-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216216792 774109074 /nfs/dbraw/zinc/10/90/74/774109074.db2.gz AMERECHGPOLRQS-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383196 774115258 /nfs/dbraw/zinc/11/52/58/774115258.db2.gz ITUSYYKQKYIECH-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383196 774115261 /nfs/dbraw/zinc/11/52/61/774115261.db2.gz ITUSYYKQKYIECH-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788469 774199278 /nfs/dbraw/zinc/19/92/78/774199278.db2.gz QZLHZOCWAINSBJ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO F[C@@H]1CCC[NH2+]C[C@@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001217981092 774208448 /nfs/dbraw/zinc/20/84/48/774208448.db2.gz OJHCNCDULJHYFU-YPMHNXCESA-N 1 3 305.357 0.844 20 0 DCADHO c1cc(O[C@H]2CCO[C@]23CC[NH2+]C3)n2nc3c(c2n1)CNCC3 ZINC001218138997 774213723 /nfs/dbraw/zinc/21/37/23/774213723.db2.gz REMBWMXEDOFGSA-BBRMVZONSA-N 1 3 315.377 0.275 20 0 DCADHO COC(=O)c1cc(C)cnc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218578789 774254580 /nfs/dbraw/zinc/25/45/80/774254580.db2.gz PUIRBPGDWHOUBT-BDJLRTHQSA-N 1 3 318.377 0.314 20 0 DCADHO O=C(Nc1cnc(Cl)nc1Cl)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218579290 774254903 /nfs/dbraw/zinc/25/49/03/774254903.db2.gz DUWMHSFMPBUYNE-JMCQJSRRSA-N 1 3 316.192 0.921 20 0 DCADHO N[C@@H](C(=O)Nc1cnn(C2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218588190 774257068 /nfs/dbraw/zinc/25/70/68/774257068.db2.gz KKNRHSPBSYGHJG-CQSZACIVSA-N 1 3 307.398 0.500 20 0 DCADHO Cc1nc(Cl)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(Cl)n1 ZINC001218595016 774259008 /nfs/dbraw/zinc/25/90/08/774259008.db2.gz KCEGSFSHJDTTBB-ZETCQYMHSA-N 1 3 316.192 0.839 20 0 DCADHO COC(=O)c1scnc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218625014 774267068 /nfs/dbraw/zinc/26/70/68/774267068.db2.gz RBSBAWURIVZPTN-AMIZOPFISA-N 1 3 310.379 0.067 20 0 DCADHO C[C@H]1CCc2sc(NC(=O)[C@H](N)CCC[NH3+])c(C(N)=O)c2C1 ZINC001218706808 774285040 /nfs/dbraw/zinc/28/50/40/774285040.db2.gz AWMHUNSBUIBORD-WCBMZHEXSA-N 1 3 324.450 0.977 20 0 DCADHO O=C(Nc1cc([C@H]2CCCN2)no1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001218710230 774286143 /nfs/dbraw/zinc/28/61/43/774286143.db2.gz DEDRWCLLNDXIDE-OTYXRUKQSA-N 1 3 305.338 0.546 20 0 DCADHO COC[C@@H](C)Oc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)[nH]n1 ZINC001218720960 774288787 /nfs/dbraw/zinc/28/87/87/774288787.db2.gz QJIBEFRHMQAVKI-RNCFNFMXSA-N 1 3 311.386 0.089 20 0 DCADHO COc1cccc(Cn2nccc2NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001218732958 774291600 /nfs/dbraw/zinc/29/16/00/774291600.db2.gz DJYIHBIYFSKQIG-AWEZNQCLSA-N 1 3 317.393 0.945 20 0 DCADHO CC1(C)COc2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)nn2C1 ZINC001218746746 774294919 /nfs/dbraw/zinc/29/49/19/774294919.db2.gz OOGIQKVFCKUMHZ-JTQLQIEISA-N 1 3 305.382 0.049 20 0 DCADHO O=C(Nc1nc(Cl)cc2nc[nH]c21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218745661 774295012 /nfs/dbraw/zinc/29/50/12/774295012.db2.gz NDRSVRUUWUTYBC-ZETCQYMHSA-N 1 3 306.757 0.359 20 0 DCADHO N[C@H](C(=O)Nc1ccnn1Br)C1CC[NH2+]CC1 ZINC001218772158 774300871 /nfs/dbraw/zinc/30/08/71/774300871.db2.gz JUBPDMUOMFAIIP-VIFPVBQESA-N 1 3 302.176 0.307 20 0 DCADHO COC(=O)/C=C/c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)nc1 ZINC001218802591 774306373 /nfs/dbraw/zinc/30/63/73/774306373.db2.gz OWIRMRKOSGJYBL-PYEVWLCESA-N 1 3 316.361 0.015 20 0 DCADHO Nc1ccc(COCCO)c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001218918913 774327555 /nfs/dbraw/zinc/32/75/55/774327555.db2.gz XTBGVNYUCHNYKD-OAHLLOKOSA-N 1 3 322.409 0.043 20 0 DCADHO N[C@H](C(=O)Nc1ccccc1-c1nc[nH]n1)C1CC[NH2+]CC1 ZINC001218974454 774339005 /nfs/dbraw/zinc/33/90/05/774339005.db2.gz BSQSRUKHNSFQSO-ZDUSSCGKSA-N 1 3 300.366 0.737 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200794341 774409651 /nfs/dbraw/zinc/40/96/51/774409651.db2.gz AWSQIOANCWLVLE-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCCF)C1)N(C)C ZINC001200795259 774409762 /nfs/dbraw/zinc/40/97/62/774409762.db2.gz HZWXHCRPLIYGRB-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CN1CCNC[C@@H]1C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219236171 774418885 /nfs/dbraw/zinc/41/88/85/774418885.db2.gz NTOQZPFMMPHYCS-XJKSGUPXSA-N 1 3 317.437 0.456 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001201321833 774487526 /nfs/dbraw/zinc/48/75/26/774487526.db2.gz WZYDAQLQZQYPFR-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201402205 774500964 /nfs/dbraw/zinc/50/09/64/774500964.db2.gz BRJIZEVGVIJTJW-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccc2c1OCCO2 ZINC001219497857 774514431 /nfs/dbraw/zinc/51/44/31/774514431.db2.gz IIGLIDPNYYYVQT-SJKOYZFVSA-N 1 3 317.389 0.904 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1[nH]nc2c1CCNC2 ZINC001219615559 774557730 /nfs/dbraw/zinc/55/77/30/774557730.db2.gz AJORLCVXUKANOP-LLVKDONJSA-N 1 3 303.288 0.080 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN1CCCCO1 ZINC001219632743 774567375 /nfs/dbraw/zinc/56/73/75/774567375.db2.gz QCBOBXAPZXKRAB-AWEZNQCLSA-N 1 3 300.447 0.626 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635358 774568193 /nfs/dbraw/zinc/56/81/93/774568193.db2.gz CCRBITUQTOPTSG-DCAQKATOSA-N 1 3 303.378 0.122 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643451 774570208 /nfs/dbraw/zinc/57/02/08/774570208.db2.gz UTFQIALKOBDYCX-QSVRLDAFSA-N 1 3 321.465 0.846 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1NCc2ccccc21 ZINC001219764670 774600917 /nfs/dbraw/zinc/60/09/17/774600917.db2.gz JRIFHZPCQAQTKD-INWMFGNUSA-N 1 3 300.406 0.241 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1NCc2ccccc21 ZINC001219764670 774600920 /nfs/dbraw/zinc/60/09/20/774600920.db2.gz JRIFHZPCQAQTKD-INWMFGNUSA-N 1 3 300.406 0.241 20 0 DCADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1NCc2ccccc21 ZINC001219764670 774600922 /nfs/dbraw/zinc/60/09/22/774600922.db2.gz JRIFHZPCQAQTKD-INWMFGNUSA-N 1 3 300.406 0.241 20 0 DCADHO O=C(C[C@@H]1Cc2ccccc2CN1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854795 774629448 /nfs/dbraw/zinc/62/94/48/774629448.db2.gz VTWOSICXVZXYKK-XUWVNRHRSA-N 1 3 301.390 0.194 20 0 DCADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ccc2c(n1)CCNC2 ZINC001219854256 774629548 /nfs/dbraw/zinc/62/95/48/774629548.db2.gz GODXYLGDHBAOLF-HEHGZKQESA-N 1 3 316.405 0.082 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001115170139 774659349 /nfs/dbraw/zinc/65/93/49/774659349.db2.gz MFGNEUHKMUOJKW-VIKVFOODSA-N 1 3 306.410 0.734 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nc[nH]c1C ZINC001115170139 774659351 /nfs/dbraw/zinc/65/93/51/774659351.db2.gz MFGNEUHKMUOJKW-VIKVFOODSA-N 1 3 306.410 0.734 20 0 DCADHO O=C(NCc1cccc(-n2cccn2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220010861 774669121 /nfs/dbraw/zinc/66/91/21/774669121.db2.gz LBSHNRMTEYOKMT-HNNXBMFYSA-N 1 3 311.389 0.298 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccc[nH]1 ZINC001220033137 774676507 /nfs/dbraw/zinc/67/65/07/774676507.db2.gz IGNVETDRPQSSEN-KBPBESRZSA-N 1 3 321.425 0.078 20 0 DCADHO CN[C@H](C(=O)n1c(C)ncc(C[NH3+])c1=N)[C@@H](C)OC(C)(C)C ZINC001220043564 774679193 /nfs/dbraw/zinc/67/91/93/774679193.db2.gz XASDUQABVNLISD-SKDRFNHKSA-N 1 3 309.414 0.561 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496814 774730351 /nfs/dbraw/zinc/73/03/51/774730351.db2.gz ZMGBERMQWODGDF-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220252377 774746300 /nfs/dbraw/zinc/74/63/00/774746300.db2.gz YIEMFNUBIAGDFD-MJBXVCDLSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220252377 774746305 /nfs/dbraw/zinc/74/63/05/774746305.db2.gz YIEMFNUBIAGDFD-MJBXVCDLSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1)N(C)C ZINC001202531911 774886356 /nfs/dbraw/zinc/88/63/56/774886356.db2.gz QHPYVFQLHMZPEH-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NCCCOc1cccc(F)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220685593 774890438 /nfs/dbraw/zinc/89/04/38/774890438.db2.gz ZRJIAKICQSRBEZ-CXAGYDPISA-N 1 3 321.396 0.910 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1C[C@@H](F)CCN1 ZINC001220789088 774916487 /nfs/dbraw/zinc/91/64/87/774916487.db2.gz JDQBKTFNVFBVOT-AJNGGQMLSA-N 1 3 306.385 0.939 20 0 DCADHO NCc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cn1 ZINC001220805778 774920584 /nfs/dbraw/zinc/92/05/84/774920584.db2.gz VFJPCZQMPBYKMQ-WDEREUQCSA-N 1 3 302.300 0.811 20 0 DCADHO CCOc1cc(CNC(=O)[C@@H](N)CSCC[NH3+])ccc1O ZINC001220816160 774922579 /nfs/dbraw/zinc/92/25/79/774922579.db2.gz ARVOAHUZICZEDX-NSHDSACASA-N 1 3 313.423 0.426 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H](c1cncc(F)c1)C1CC1 ZINC001221049044 774985853 /nfs/dbraw/zinc/98/58/53/774985853.db2.gz KQBCTECTDCELII-STQMWFEESA-N 1 3 312.414 0.807 20 0 DCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1C[C@@H](F)CCN1 ZINC001221114154 774999571 /nfs/dbraw/zinc/99/95/71/774999571.db2.gz OPTGKOBUMOUXTK-KBPBESRZSA-N 1 3 320.412 0.909 20 0 DCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CNC[C@@H](F)C1 ZINC001221114232 774999630 /nfs/dbraw/zinc/99/96/30/774999630.db2.gz RSBSWGMTDUSRCS-KBPBESRZSA-N 1 3 320.412 0.767 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121794 775000169 /nfs/dbraw/zinc/00/01/69/775000169.db2.gz RTOBJYRVOXOOFR-AWEZNQCLSA-N 1 3 314.393 0.070 20 0 DCADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1CNC[C@H](F)C1 ZINC001221121533 775000528 /nfs/dbraw/zinc/00/05/28/775000528.db2.gz IQQSUEYUDLVQLT-TZMCWYRMSA-N 1 3 306.385 0.724 20 0 DCADHO O=C(N[C@H]1CCOc2c(F)cc(F)cc21)[C@H]1C[NH2+]CC12CNC2 ZINC001221258755 775047523 /nfs/dbraw/zinc/04/75/23/775047523.db2.gz MOXHSJZPIFFVFH-YPMHNXCESA-N 1 3 323.343 0.714 20 0 DCADHO N[C@H](C(=O)NC[C@@H](O)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC001221328512 775069594 /nfs/dbraw/zinc/06/95/94/775069594.db2.gz ADGQMKAEMQRGLY-CJNGLKHVSA-N 1 3 317.389 0.909 20 0 DCADHO O=C(NC[C@@H](CO)c1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221378116 775080921 /nfs/dbraw/zinc/08/09/21/775080921.db2.gz SSCYEOXBHGKVCO-ZMSDIMECSA-N 1 3 303.406 0.078 20 0 DCADHO C[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]C[C@@H]1O ZINC001221398431 775086794 /nfs/dbraw/zinc/08/67/94/775086794.db2.gz ZMEHKKJVWQMDAO-YQQAZPJKSA-N 1 3 303.406 0.178 20 0 DCADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095605762 775258066 /nfs/dbraw/zinc/25/80/66/775258066.db2.gz AYOQOHJFDZHZMM-FZKCQIBNSA-N 1 3 321.465 0.965 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001222186434 775294535 /nfs/dbraw/zinc/29/45/35/775294535.db2.gz HWZLDIVBIXCGNJ-UHFFFAOYSA-N 1 3 308.451 0.743 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226324184 775799787 /nfs/dbraw/zinc/79/97/87/775799787.db2.gz ZOZVQFCXZIHCGC-AAVRWANBSA-N 1 3 310.442 0.090 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226324184 775799799 /nfs/dbraw/zinc/79/97/99/775799799.db2.gz ZOZVQFCXZIHCGC-AAVRWANBSA-N 1 3 310.442 0.090 20 0 DCADHO COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750316 776097995 /nfs/dbraw/zinc/09/79/95/776097995.db2.gz FOOGURYEYCCRPB-FOLVSLTJSA-N 1 3 313.442 0.038 20 0 DCADHO COCCOCCN1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228998852 776145856 /nfs/dbraw/zinc/14/58/56/776145856.db2.gz KRBVOLVCYWKUIF-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO CCN(CC)CC(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001229664945 776209938 /nfs/dbraw/zinc/20/99/38/776209938.db2.gz YYYPAIOTNJYBGT-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC ZINC001229860081 776232106 /nfs/dbraw/zinc/23/21/06/776232106.db2.gz LNOZEEKCAYPHFN-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001230284926 776275930 /nfs/dbraw/zinc/27/59/30/776275930.db2.gz XZPKPUPDZVJPDJ-MGPQQGTHSA-N 1 3 310.442 0.232 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCO)C2)C1)C1CC1 ZINC001041357412 777224390 /nfs/dbraw/zinc/22/43/90/777224390.db2.gz HBCVAUYFMSOYSO-WBVHZDCISA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1)C1CC1 ZINC001041357412 777224396 /nfs/dbraw/zinc/22/43/96/777224396.db2.gz HBCVAUYFMSOYSO-WBVHZDCISA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCc1ccnn1C)N(C)C ZINC001317652216 945146217 /nfs/dbraw/zinc/14/62/17/945146217.db2.gz GQQDFHCMURAFLR-HNNXBMFYSA-N 1 3 309.458 0.597 20 0 DCADHO C[N@@H+]1CCC[C@@H](CN2CC3(C[C@@H]3C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278148119 945156702 /nfs/dbraw/zinc/15/67/02/945156702.db2.gz LYHGBBSQIUXMOJ-UKRRQHHQSA-N 1 3 317.437 0.690 20 0 DCADHO C[N@H+]1CCC[C@@H](CN2CC3(C[C@@H]3C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278148119 945156709 /nfs/dbraw/zinc/15/67/09/945156709.db2.gz LYHGBBSQIUXMOJ-UKRRQHHQSA-N 1 3 317.437 0.690 20 0 DCADHO Cc1noc(CCC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001266565637 939166175 /nfs/dbraw/zinc/16/61/75/939166175.db2.gz HOTMOVJPGQBFBZ-AWEZNQCLSA-N 1 3 321.425 0.597 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001266817053 939244318 /nfs/dbraw/zinc/24/43/18/939244318.db2.gz CUNVMVWGHLAQTD-UHFFFAOYSA-N 1 3 307.442 0.618 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2CCOCC2CC2)C1 ZINC001267282010 939414268 /nfs/dbraw/zinc/41/42/68/939414268.db2.gz NXCWKHSPKZBVLJ-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2CCOCC2CC2)C1 ZINC001267282010 939414269 /nfs/dbraw/zinc/41/42/69/939414269.db2.gz NXCWKHSPKZBVLJ-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001267456624 939460554 /nfs/dbraw/zinc/46/05/54/939460554.db2.gz DJIBJOPSSZGTPW-UHFFFAOYSA-N 1 3 305.426 0.372 20 0 DCADHO CNC(=O)[C@H](C)N1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481444033 939794647 /nfs/dbraw/zinc/79/46/47/939794647.db2.gz JHTKWXNHNKZLBO-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)CC(=O)NC)CC1 ZINC001481520375 939913783 /nfs/dbraw/zinc/91/37/83/939913783.db2.gz NKGYNJJFDJPKQF-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)CC(=O)NC)CC1 ZINC001481520375 939913786 /nfs/dbraw/zinc/91/37/86/939913786.db2.gz NKGYNJJFDJPKQF-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1n[nH]c(C)n1 ZINC001481821148 940150153 /nfs/dbraw/zinc/15/01/53/940150153.db2.gz LTZZOEAFKWXPSP-KBPBESRZSA-N 1 3 322.457 0.972 20 0 DCADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1n[nH]c(C)n1 ZINC001481821148 940150156 /nfs/dbraw/zinc/15/01/56/940150156.db2.gz LTZZOEAFKWXPSP-KBPBESRZSA-N 1 3 322.457 0.972 20 0 DCADHO O[C@@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COc1ccc(F)cc1 ZINC001245977093 945303276 /nfs/dbraw/zinc/30/32/76/945303276.db2.gz VIMQQQMBMZWZDL-AEGPPILISA-N 1 3 316.348 0.218 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001268597347 940289258 /nfs/dbraw/zinc/28/92/58/940289258.db2.gz RHLXCFXYDWVNTK-BWPKMQGJSA-N 1 3 322.453 0.211 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC001246004379 945311239 /nfs/dbraw/zinc/31/12/39/945311239.db2.gz CIPJITLHDVIWQL-OCCSQVGLSA-N 1 3 313.373 0.138 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001246010717 945314979 /nfs/dbraw/zinc/31/49/79/945314979.db2.gz ZEDHGLWTSIZDLT-JSGCOSHPSA-N 1 3 313.373 0.138 20 0 DCADHO O[C@@H](CN1CCN[C@@H](c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246046441 945329021 /nfs/dbraw/zinc/32/90/21/945329021.db2.gz RGDFEULBOYKLQF-IAGOWNOFSA-N 1 3 319.449 0.498 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246151643 945350100 /nfs/dbraw/zinc/35/01/00/945350100.db2.gz JOSGCVVSCQCXNF-RSUWNVLCSA-N 1 3 311.426 0.169 20 0 DCADHO C[C@@H](C[NH2+]CCOCC(F)F)N(C)C(=O)[C@@H]1CCCN1C ZINC001482264456 940833547 /nfs/dbraw/zinc/83/35/47/940833547.db2.gz ALTWSRLPUXIXDI-RYUDHWBXSA-N 1 3 307.385 0.799 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1)[NH+](C)C ZINC001482295125 940917032 /nfs/dbraw/zinc/91/70/32/940917032.db2.gz RUBVUOWGKSLGQU-DOMZBBRYSA-N 1 3 312.458 0.288 20 0 DCADHO CCN(CC)CC(=O)N1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001271538447 941399123 /nfs/dbraw/zinc/39/91/23/941399123.db2.gz YSKUGLBSESHOEE-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001482871800 941694775 /nfs/dbraw/zinc/69/47/75/941694775.db2.gz SBXHBOCXGPRFCY-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001482901762 941701724 /nfs/dbraw/zinc/70/17/24/941701724.db2.gz MJFVLDCIVADFOA-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001409264229 941802807 /nfs/dbraw/zinc/80/28/07/941802807.db2.gz GLTKDSWWLXARRE-PNESKVBLSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409406585 941984927 /nfs/dbraw/zinc/98/49/27/941984927.db2.gz AJBONROORPXUOZ-QWHCGFSZSA-N 1 3 310.442 0.090 20 0 DCADHO CCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409429261 941993692 /nfs/dbraw/zinc/99/36/92/941993692.db2.gz ZLJUKUYYSBCCNF-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccc[nH]c3=O)C[C@@H]21 ZINC001276335177 942090431 /nfs/dbraw/zinc/09/04/31/942090431.db2.gz YIBBOYSJTZPGGY-GJZGRUSLSA-N 1 3 306.410 0.234 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C[C@@H]1CCc2ncnn21 ZINC001409628280 942102097 /nfs/dbraw/zinc/10/20/97/942102097.db2.gz OBSIFKRBAOUPPO-OLZOCXBDSA-N 1 3 308.430 0.154 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001483491226 942383451 /nfs/dbraw/zinc/38/34/51/942383451.db2.gz YOZKMDJZHXGMFH-CQSZACIVSA-N 1 3 300.447 0.099 20 0 DCADHO C[NH+](C)CCN1C[C@]2(CCN(Cc3cc[nH]c3)C2)OCC1=O ZINC001272648923 942886492 /nfs/dbraw/zinc/88/64/92/942886492.db2.gz MXDIDGUJACNCDV-MRXNPFEDSA-N 1 3 306.410 0.380 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001483942424 943040318 /nfs/dbraw/zinc/04/03/18/943040318.db2.gz MYVMLTYDNTXQBD-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484056907 943125092 /nfs/dbraw/zinc/12/50/92/943125092.db2.gz CZBCQCDMVDYXKQ-KRWDZBQOSA-N 1 3 321.469 0.885 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC)C1 ZINC001484126552 943158237 /nfs/dbraw/zinc/15/82/37/943158237.db2.gz WTPNSWYNJZGUSP-YOEHRIQHSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(C)CCN([C@@H]2CCNC2=O)CC1 ZINC001484144464 943162530 /nfs/dbraw/zinc/16/25/30/943162530.db2.gz GCSPKKHWSOPHAR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(C)CCN([C@@H]2CCNC2=O)CC1 ZINC001484144464 943162531 /nfs/dbraw/zinc/16/25/31/943162531.db2.gz GCSPKKHWSOPHAR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@]2(CO)CCCN(CCCF)C2)CC1 ZINC001484443532 943390822 /nfs/dbraw/zinc/39/08/22/943390822.db2.gz LVZVEFNOEVPZDD-INIZCTEOSA-N 1 3 315.433 0.631 20 0 DCADHO Cc1ncccc1CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001484500597 943432395 /nfs/dbraw/zinc/43/23/95/943432395.db2.gz RQYXKPSHIBUFDA-MRXNPFEDSA-N 1 3 320.437 0.252 20 0 DCADHO Cc1ncccc1CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484500597 943432405 /nfs/dbraw/zinc/43/24/05/943432405.db2.gz RQYXKPSHIBUFDA-MRXNPFEDSA-N 1 3 320.437 0.252 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001484552098 943450676 /nfs/dbraw/zinc/45/06/76/943450676.db2.gz VUNMMBAQKHFSEU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001484617681 943481020 /nfs/dbraw/zinc/48/10/20/943481020.db2.gz KISCBKDMIXACQZ-MGPQQGTHSA-N 1 3 310.442 0.315 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484904126 943620923 /nfs/dbraw/zinc/62/09/23/943620923.db2.gz IXKXRUCGWUTZLL-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485198179 943742725 /nfs/dbraw/zinc/74/27/25/943742725.db2.gz GWYDUMRJLIHUPZ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001485214845 943760851 /nfs/dbraw/zinc/76/08/51/943760851.db2.gz IAMSVTGWBMUIFT-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1ccc(CNC2CCC(NC(=O)CC[NH+](C)C)CC2)n1 ZINC001491362025 943941004 /nfs/dbraw/zinc/94/10/04/943941004.db2.gz UXVFZYXJMYXURQ-UHFFFAOYSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001485451442 943943739 /nfs/dbraw/zinc/94/37/39/943943739.db2.gz VQUAJXHYZMAKJJ-AWEZNQCLSA-N 1 3 324.469 0.753 20 0 DCADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485462297 943951094 /nfs/dbraw/zinc/95/10/94/943951094.db2.gz DPCIHLMLSNRVRR-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC001491493523 944045417 /nfs/dbraw/zinc/04/54/17/944045417.db2.gz OICBNDHTIVYGNU-HIFRSBDPSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)N[C@H]1CCNC1=O ZINC001491503557 944055222 /nfs/dbraw/zinc/05/52/22/944055222.db2.gz BGIKJONPHNBMBP-JSGCOSHPSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)N[C@H]1CCNC1=O ZINC001491503557 944055230 /nfs/dbraw/zinc/05/52/30/944055230.db2.gz BGIKJONPHNBMBP-JSGCOSHPSA-N 1 3 324.469 0.622 20 0 DCADHO Cc1ncc(CN2CCC[C@]3(CN(CC[NH+](C)C)CCO3)C2)[nH]1 ZINC001276682410 944261514 /nfs/dbraw/zinc/26/15/14/944261514.db2.gz LZKCDETUNWJMHX-KRWDZBQOSA-N 1 3 321.469 0.947 20 0 DCADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CCN(S(C)(=O)=O)CC1 ZINC001276713686 944271462 /nfs/dbraw/zinc/27/14/62/944271462.db2.gz KDSGKSAERQDFIU-GOOCMWNKSA-N 1 3 315.483 0.873 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485875971 944377149 /nfs/dbraw/zinc/37/71/49/944377149.db2.gz DQUFIGJYJVKZKX-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485875971 944377151 /nfs/dbraw/zinc/37/71/51/944377151.db2.gz DQUFIGJYJVKZKX-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCn1cccn1 ZINC001485881783 944377746 /nfs/dbraw/zinc/37/77/46/944377746.db2.gz KTPLQBULFYEYSU-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO Cc1cc(F)ccc1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486062278 944523782 /nfs/dbraw/zinc/52/37/82/944523782.db2.gz UVTNUCJTOPJKHG-GOEBONIOSA-N 1 3 323.412 0.653 20 0 DCADHO Cc1cc(F)ccc1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001486062278 944523789 /nfs/dbraw/zinc/52/37/89/944523789.db2.gz UVTNUCJTOPJKHG-GOEBONIOSA-N 1 3 323.412 0.653 20 0 DCADHO CN(C[C@H](O)CNCc1ccccc1F)C(=O)CC[NH+](C)C ZINC001486297582 944739211 /nfs/dbraw/zinc/73/92/11/944739211.db2.gz GEGCNLMLNXYBQX-CQSZACIVSA-N 1 3 311.401 0.686 20 0 DCADHO CN(C[C@H](O)CNC/C=C/Cl)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486311681 944773158 /nfs/dbraw/zinc/77/31/58/944773158.db2.gz NOPYJYOKTWHQKV-UXOHQCDBSA-N 1 3 303.834 0.490 20 0 DCADHO CN(C[C@H](O)CNC/C=C/Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486311681 944773155 /nfs/dbraw/zinc/77/31/55/944773155.db2.gz NOPYJYOKTWHQKV-UXOHQCDBSA-N 1 3 303.834 0.490 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)N2CCC2)C(C)(C)C)C1 ZINC001486424315 944869977 /nfs/dbraw/zinc/86/99/77/944869977.db2.gz RKUJAZRLLBNHHT-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)N2CCC2)C(C)(C)C)C1 ZINC001486424315 944869984 /nfs/dbraw/zinc/86/99/84/944869984.db2.gz RKUJAZRLLBNHHT-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)CC[NH+](C)C ZINC001486574846 944970260 /nfs/dbraw/zinc/97/02/60/944970260.db2.gz YWHMJTKVUWKMAK-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO COC(=O)CC[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001277864295 945013969 /nfs/dbraw/zinc/01/39/69/945013969.db2.gz DAWAVHYCSDYZNA-UHFFFAOYSA-N 1 3 311.426 0.426 20 0 DCADHO COC(=O)CC1(N[C@@H]2CCN[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246362973 945395429 /nfs/dbraw/zinc/39/54/29/945395429.db2.gz JOCTZEMERQXJMR-MNOVXSKESA-N 1 3 323.359 0.944 20 0 DCADHO COc1cccc2c1C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CO2 ZINC001246406186 945404179 /nfs/dbraw/zinc/40/41/79/945404179.db2.gz RRBFVDRXNXRXID-AAEUAGOBSA-N 1 3 307.394 0.571 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246418609 945406420 /nfs/dbraw/zinc/40/64/20/945406420.db2.gz SAZWTMDCBZEAJG-ZDUSSCGKSA-N 1 3 306.414 0.018 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)CCN1 ZINC001246465568 945414446 /nfs/dbraw/zinc/41/44/46/945414446.db2.gz ZPFGBHJZEOPKDC-YJBUHQLJSA-N 1 3 301.456 0.672 20 0 DCADHO CCOC(=O)[C@@H]1CC2(CN1[C@@H]1CCNC(=O)C1)CC[NH2+]CC2 ZINC001246604501 945442151 /nfs/dbraw/zinc/44/21/51/945442151.db2.gz QTFWEUJKBOXDSM-OLZOCXBDSA-N 1 3 309.410 0.272 20 0 DCADHO CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)CCN1 ZINC001246684134 945460212 /nfs/dbraw/zinc/46/02/12/945460212.db2.gz KTKQYHLKVXURDG-KSXIZUIISA-N 1 3 323.437 0.123 20 0 DCADHO CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)CCN1 ZINC001246684134 945460215 /nfs/dbraw/zinc/46/02/15/945460215.db2.gz KTKQYHLKVXURDG-KSXIZUIISA-N 1 3 323.437 0.123 20 0 DCADHO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@@H+]([C@@H]3CCN[C@@H](C)C3)C[C@H]21 ZINC001246733034 945475868 /nfs/dbraw/zinc/47/58/68/945475868.db2.gz DGOLDTYXFQNLNF-GCSSGZNBSA-N 1 3 309.454 0.846 20 0 DCADHO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+]([C@@H]3CCN[C@@H](C)C3)C[C@H]21 ZINC001246733034 945475873 /nfs/dbraw/zinc/47/58/73/945475873.db2.gz DGOLDTYXFQNLNF-GCSSGZNBSA-N 1 3 309.454 0.846 20 0 DCADHO O=C(NCC1CC1)c1nn(C2CC[NH2+]CC2)c2c1CNCC2 ZINC001246761400 945484057 /nfs/dbraw/zinc/48/40/57/945484057.db2.gz SCJLNUHOEWYVGM-UHFFFAOYSA-N 1 3 303.410 0.593 20 0 DCADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CN1 ZINC001246792970 945492135 /nfs/dbraw/zinc/49/21/35/945492135.db2.gz GHMNKOXIWNGBHP-OSFYFWSMSA-N 1 3 303.410 0.455 20 0 DCADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CN1 ZINC001246792970 945492140 /nfs/dbraw/zinc/49/21/40/945492140.db2.gz GHMNKOXIWNGBHP-OSFYFWSMSA-N 1 3 303.410 0.455 20 0 DCADHO O[C@@]1(Cc2nc(-c3ccc4c(n3)CCNC4)no2)CCC[NH2+]C1 ZINC001247782251 945573354 /nfs/dbraw/zinc/57/33/54/945573354.db2.gz ZAYDCSXYNJLZPG-MRXNPFEDSA-N 1 3 315.377 0.434 20 0 DCADHO O[C@H]1CC[NH2+]C[C@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247759738 945574994 /nfs/dbraw/zinc/57/49/94/945574994.db2.gz VYYISJMBUIYZGO-MFKMUULPSA-N 1 3 301.350 0.215 20 0 DCADHO COc1cnc(-c2noc(C34CNCC3C[NH2+]C4)n2)c(C)c1 ZINC001247849492 945577188 /nfs/dbraw/zinc/57/71/88/945577188.db2.gz DYWCSXRTRUVJKH-UHFFFAOYSA-N 1 3 301.350 0.509 20 0 DCADHO c1cc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)nc2c1CNCC2 ZINC001247850624 945577986 /nfs/dbraw/zinc/57/79/86/945577986.db2.gz SMUPCHDLSCNSEL-ZBEGNZNMSA-N 1 3 313.361 0.265 20 0 DCADHO c1cc(-c2noc([C@@H]3COC4(C[NH2+]C4)C3)n2)nc2c1CNCC2 ZINC001247870321 945581814 /nfs/dbraw/zinc/58/18/14/945581814.db2.gz BTBUNHWDHWGDFV-NSHDSACASA-N 1 3 313.361 0.623 20 0 DCADHO [NH3+]CCOCCOCc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248345980 945599183 /nfs/dbraw/zinc/59/91/83/945599183.db2.gz GZVSDXVJYALGKB-UHFFFAOYSA-N 1 3 319.365 0.269 20 0 DCADHO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001487212088 945602271 /nfs/dbraw/zinc/60/22/71/945602271.db2.gz DCKDXQHWENIBIJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(=O)n1C ZINC001248807541 945606649 /nfs/dbraw/zinc/60/66/49/945606649.db2.gz VISGEWTZDRYPDW-JKSUJKDBSA-N 1 3 304.438 0.596 20 0 DCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(=O)n1C ZINC001248807541 945606655 /nfs/dbraw/zinc/60/66/55/945606655.db2.gz VISGEWTZDRYPDW-JKSUJKDBSA-N 1 3 304.438 0.596 20 0 DCADHO C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCCF)N1CCCCCC1 ZINC001320282452 945801451 /nfs/dbraw/zinc/80/14/51/945801451.db2.gz HWDKCLADMWRCQA-UONOGXRCSA-N 1 3 303.422 0.677 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CCc1cccs1 ZINC001320301828 945814407 /nfs/dbraw/zinc/81/44/07/945814407.db2.gz WOOOXAKWZOLVKN-LBPRGKRZSA-N 1 3 322.434 0.632 20 0 DCADHO CN1C(=O)CC[C@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945956 946036909 /nfs/dbraw/zinc/03/69/09/946036909.db2.gz KDUCQBVWLCWDCZ-WMZOPIPTSA-N 1 3 317.433 0.834 20 0 DCADHO CN1C(=O)CC[C@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945956 946036920 /nfs/dbraw/zinc/03/69/20/946036920.db2.gz KDUCQBVWLCWDCZ-WMZOPIPTSA-N 1 3 317.433 0.834 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCN2CCCC2=O)C1 ZINC001321252756 946239367 /nfs/dbraw/zinc/23/93/67/946239367.db2.gz XIBTWRPYPYWOCB-GWQWAINWSA-N 1 3 322.453 0.213 20 0 DCADHO CN(C[C@H](O)C[NH2+]CCCF)C(=O)C(C)(C)N1CCCC1 ZINC001278792891 946406064 /nfs/dbraw/zinc/40/60/64/946406064.db2.gz YOWVGVKBYABRJB-CYBMUJFWSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC[C@H](O)C[NH3+])CS2 ZINC001254682203 946421252 /nfs/dbraw/zinc/42/12/52/946421252.db2.gz XKQDSRACUMMUBV-WDEREUQCSA-N 1 3 317.455 0.391 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001410485543 946479442 /nfs/dbraw/zinc/47/94/42/946479442.db2.gz FXNQNXAAHWAOBF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001410485543 946479447 /nfs/dbraw/zinc/47/94/47/946479447.db2.gz FXNQNXAAHWAOBF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](N[C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001410499489 946489449 /nfs/dbraw/zinc/48/94/49/946489449.db2.gz FQZPSBORGPHOER-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H]1CCCN(C)C1=O ZINC001410499190 946489476 /nfs/dbraw/zinc/48/94/76/946489476.db2.gz QQIDYEWPVQTBAS-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@H]2CCN(C)C2)n1 ZINC001255441638 946507628 /nfs/dbraw/zinc/50/76/28/946507628.db2.gz PSQAYIYXMBOPBA-NEPJUHHUSA-N 1 3 307.398 0.798 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001410533625 946524599 /nfs/dbraw/zinc/52/45/99/946524599.db2.gz ZDKUKINQNMFCKM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001410533650 946525299 /nfs/dbraw/zinc/52/52/99/946525299.db2.gz ZDKUKINQNMFCKM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)(C)N1CCC([NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001256575806 946643228 /nfs/dbraw/zinc/64/32/28/946643228.db2.gz VRTFPKWCIBDSQK-UHFFFAOYSA-N 1 3 308.426 0.923 20 0 DCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001256626344 946650540 /nfs/dbraw/zinc/65/05/40/946650540.db2.gz OJEHSZPNTOLQBE-KJFZJZGVSA-N 1 3 320.437 0.034 20 0 DCADHO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001256626344 946650543 /nfs/dbraw/zinc/65/05/43/946650543.db2.gz OJEHSZPNTOLQBE-KJFZJZGVSA-N 1 3 320.437 0.034 20 0 DCADHO CC(C)OCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001273365787 946866092 /nfs/dbraw/zinc/86/60/92/946866092.db2.gz NUALHJLFLNQYSY-HNNXBMFYSA-N 1 3 315.458 0.569 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001273381822 946946902 /nfs/dbraw/zinc/94/69/02/946946902.db2.gz JLLASPWTCDISSU-UONOGXRCSA-N 1 3 322.457 0.782 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001273381822 946946907 /nfs/dbraw/zinc/94/69/07/946946907.db2.gz JLLASPWTCDISSU-UONOGXRCSA-N 1 3 322.457 0.782 20 0 DCADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1N(CCn1cncn1)CC2 ZINC001410894143 947098066 /nfs/dbraw/zinc/09/80/66/947098066.db2.gz HOPWKTHMZOPXQI-ZBFHGGJFSA-N 1 3 320.441 0.343 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001410978621 947187867 /nfs/dbraw/zinc/18/78/67/947187867.db2.gz ZSPYKVFBIWVPSC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CC1CC(C)(C)C1)C(=O)Cc1c[nH]cn1 ZINC001411104755 947335985 /nfs/dbraw/zinc/33/59/85/947335985.db2.gz SAGAAMKZIFWGKG-AWEZNQCLSA-N 1 3 308.426 0.797 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001324264461 947370133 /nfs/dbraw/zinc/37/01/33/947370133.db2.gz VFYPBOVBUZORFX-LSDHHAIUSA-N 1 3 322.457 0.445 20 0 DCADHO CCS(=O)(=O)N1CCC(CN[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246363289 947690769 /nfs/dbraw/zinc/69/07/69/947690769.db2.gz CKWQKJCESBCASH-JSGCOSHPSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@H]1C[C@H](NS(=O)(=O)CC[NH3+])CCN1Cc1ccccc1 ZINC000379641575 947836088 /nfs/dbraw/zinc/83/60/88/947836088.db2.gz YLJSYTQREHUYAL-DZGCQCFKSA-N 1 3 311.451 0.918 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCCCC2)CCN1C(=O)CC[NH+](C)C ZINC001179472451 947849986 /nfs/dbraw/zinc/84/99/86/947849986.db2.gz NFGUYSNHQPNHDR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001179534337 947853460 /nfs/dbraw/zinc/85/34/60/947853460.db2.gz IAWPAMLWASMZGV-KKUMJFAQSA-N 1 3 313.442 0.059 20 0 DCADHO CN(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1nncn1C ZINC001273712409 948041721 /nfs/dbraw/zinc/04/17/21/948041721.db2.gz VLLFEDXERSTXTL-ZIAGYGMSSA-N 1 3 320.441 0.332 20 0 DCADHO CN(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1nncn1C ZINC001273712409 948041725 /nfs/dbraw/zinc/04/17/25/948041725.db2.gz VLLFEDXERSTXTL-ZIAGYGMSSA-N 1 3 320.441 0.332 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC001326766212 948270303 /nfs/dbraw/zinc/27/03/03/948270303.db2.gz DJTBSTSAXBCQRS-HNNXBMFYSA-N 1 3 308.470 0.520 20 0 DCADHO OC1CCN(CCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC001326842184 948297110 /nfs/dbraw/zinc/29/71/10/948297110.db2.gz MPUSXNSIYAYYEH-MRXNPFEDSA-N 1 3 311.470 0.676 20 0 DCADHO CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CC[NH3+] ZINC000382730226 948735111 /nfs/dbraw/zinc/73/51/11/948735111.db2.gz ADTGYXNNSJJFAY-OAHLLOKOSA-N 1 3 311.451 0.729 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001488773509 949171267 /nfs/dbraw/zinc/17/12/67/949171267.db2.gz PWHJNIOLMQZAEV-APIJFGDWSA-N 1 3 322.453 0.091 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CCC1(C)C ZINC001329904757 949963162 /nfs/dbraw/zinc/96/31/62/949963162.db2.gz JPHJZVNOPWUXIR-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CCC1(C)C ZINC001329904760 949963720 /nfs/dbraw/zinc/96/37/20/949963720.db2.gz JPHJZVNOPWUXIR-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C)N(C)C ZINC001430077676 1013100864 /nfs/dbraw/zinc/10/08/64/1013100864.db2.gz ZLTXVIBQCVJVFP-QLFBSQMISA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H](C)C(=O)NC ZINC001266042455 950295339 /nfs/dbraw/zinc/29/53/39/950295339.db2.gz BZKBTKIBTHNKRR-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H](C)C(=O)NC1CC1 ZINC001490318817 950565819 /nfs/dbraw/zinc/56/58/19/950565819.db2.gz RZKIUQFCVTYEAF-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H](C)C(=O)NC1CC1 ZINC001490318817 950565831 /nfs/dbraw/zinc/56/58/31/950565831.db2.gz RZKIUQFCVTYEAF-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CCNC1=O ZINC001490331220 950587185 /nfs/dbraw/zinc/58/71/85/950587185.db2.gz KZAHKELDXYGVOV-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO O=C(NCCN1CCN(CC2CC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001490492250 950745076 /nfs/dbraw/zinc/74/50/76/950745076.db2.gz HTFHMQPOZVZFBV-QGZVFWFLSA-N 1 3 320.481 0.472 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001490742836 951073041 /nfs/dbraw/zinc/07/30/41/951073041.db2.gz VGNVIONKVWMTDB-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001365821307 951580948 /nfs/dbraw/zinc/58/09/48/951580948.db2.gz PVWXTDNGGXILEY-MCIONIFRSA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001365824044 951585358 /nfs/dbraw/zinc/58/53/58/951585358.db2.gz BLURYMPUIMGGDK-BARDWOONSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3c[nH]c4nccnc34)[C@@H]2C1 ZINC001275505436 952207207 /nfs/dbraw/zinc/20/72/07/952207207.db2.gz KRITZOQOLSTZRI-DZGCQCFKSA-N 1 3 314.437 0.977 20 0 DCADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3c[nH]c4nccnc34)[C@@H]2C1 ZINC001275505436 952207213 /nfs/dbraw/zinc/20/72/13/952207213.db2.gz KRITZOQOLSTZRI-DZGCQCFKSA-N 1 3 314.437 0.977 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CC4(COC4)CC3=O)C[C@@H]2C1 ZINC001336267507 952668830 /nfs/dbraw/zinc/66/88/30/952668830.db2.gz IRPLXQQVUCLFFR-QLFBSQMISA-N 1 3 307.438 0.855 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CC4(COC4)CC3=O)C[C@@H]2C1 ZINC001336267510 952669028 /nfs/dbraw/zinc/66/90/28/952669028.db2.gz IRPLXQQVUCLFFR-SOUVJXGZSA-N 1 3 307.438 0.855 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001412534340 952874018 /nfs/dbraw/zinc/87/40/18/952874018.db2.gz PPAYFABJTVHTDU-ZACQAIPSSA-N 1 3 322.497 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001412534340 952874022 /nfs/dbraw/zinc/87/40/22/952874022.db2.gz PPAYFABJTVHTDU-ZACQAIPSSA-N 1 3 322.497 0.861 20 0 DCADHO Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276067265 952887254 /nfs/dbraw/zinc/88/72/54/952887254.db2.gz DKUDEJOUUPRYAP-GASCZTMLSA-N 1 3 319.453 0.950 20 0 DCADHO Cc1n[nH]cc1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276067265 952887258 /nfs/dbraw/zinc/88/72/58/952887258.db2.gz DKUDEJOUUPRYAP-GASCZTMLSA-N 1 3 319.453 0.950 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001412733471 953030052 /nfs/dbraw/zinc/03/00/52/953030052.db2.gz QXFWIVLIAPCWFU-LBPRGKRZSA-N 1 3 319.409 0.011 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001327078301 953049648 /nfs/dbraw/zinc/04/96/48/953049648.db2.gz DBURBFDSVRPXHG-AWEZNQCLSA-N 1 3 301.431 0.180 20 0 DCADHO C[NH+](C)CCCCNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001340041967 953139862 /nfs/dbraw/zinc/13/98/62/953139862.db2.gz QQWGEMFNUULHOG-AWEZNQCLSA-N 1 3 318.421 0.970 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)C[C@@H](C)O1 ZINC001341570935 953238135 /nfs/dbraw/zinc/23/81/35/953238135.db2.gz KHQRLYATVGXPGE-KQTLUZQSSA-N 1 3 313.442 0.105 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001365932434 953424446 /nfs/dbraw/zinc/42/44/46/953424446.db2.gz NSPCQIVNEIBSRM-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+][C@@H]1CCCNC1=O)C1CC1)C1CCC1 ZINC001366033182 953604687 /nfs/dbraw/zinc/60/46/87/953604687.db2.gz GTEKCOAZLVYYIX-CABCVRRESA-N 1 3 322.453 0.234 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366071427 953648852 /nfs/dbraw/zinc/64/88/52/953648852.db2.gz ZGNPVSBMNCCZPC-HNNXBMFYSA-N 1 3 317.437 0.500 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCN3CCN(C)CC3)C[N@@H+]2C1 ZINC001346106747 953802865 /nfs/dbraw/zinc/80/28/65/953802865.db2.gz MOBSNTWTKOTLAC-ZACQAIPSSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCN3CCN(C)CC3)C[N@H+]2C1 ZINC001346106747 953802876 /nfs/dbraw/zinc/80/28/76/953802876.db2.gz MOBSNTWTKOTLAC-ZACQAIPSSA-N 1 3 322.497 0.861 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC1CC1 ZINC001366217197 953844320 /nfs/dbraw/zinc/84/43/20/953844320.db2.gz LFGXZPQNTUJAMS-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001366245703 953888778 /nfs/dbraw/zinc/88/87/78/953888778.db2.gz VTDJVEFUGFOBGY-UHFFFAOYSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001347087467 954021454 /nfs/dbraw/zinc/02/14/54/954021454.db2.gz XFPDVQMXSJKRKU-VBQJREDUSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NCc1cncn1C ZINC001366347176 954072167 /nfs/dbraw/zinc/07/21/67/954072167.db2.gz RIKRTUBHOTYGSA-ZDUSSCGKSA-N 1 3 323.441 0.125 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H](C)C(=O)N(C)C ZINC001366363419 954101483 /nfs/dbraw/zinc/10/14/83/954101483.db2.gz KOOZGWZNYYPQON-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001366363416 954102871 /nfs/dbraw/zinc/10/28/71/954102871.db2.gz KOOZGWZNYYPQON-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001366367281 954105185 /nfs/dbraw/zinc/10/51/85/954105185.db2.gz NYTVMHSFMRKSPP-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001366407678 954162439 /nfs/dbraw/zinc/16/24/39/954162439.db2.gz JOIPNKWJWXJZPY-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001366640167 954569290 /nfs/dbraw/zinc/56/92/90/954569290.db2.gz UDKHLOXMDPOLTQ-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001366640167 954569301 /nfs/dbraw/zinc/56/93/01/954569301.db2.gz UDKHLOXMDPOLTQ-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H](CC)N(C)C ZINC001349172832 954630141 /nfs/dbraw/zinc/63/01/41/954630141.db2.gz VYQNQSKZUXGQPG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H](CC)N(C)C ZINC001349172832 954630147 /nfs/dbraw/zinc/63/01/47/954630147.db2.gz VYQNQSKZUXGQPG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001366768853 954810827 /nfs/dbraw/zinc/81/08/27/954810827.db2.gz PSMBERRSQGSNIO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001366768853 954810838 /nfs/dbraw/zinc/81/08/38/954810838.db2.gz PSMBERRSQGSNIO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001366782424 954837590 /nfs/dbraw/zinc/83/75/90/954837590.db2.gz LRAORSZHRAWPJO-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(C)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001366814954 954877270 /nfs/dbraw/zinc/87/72/70/954877270.db2.gz ATTIZPLQTHOBPS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001366814954 954877282 /nfs/dbraw/zinc/87/72/82/954877282.db2.gz ATTIZPLQTHOBPS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)C1 ZINC001446951817 1013134021 /nfs/dbraw/zinc/13/40/21/1013134021.db2.gz GTTCKNIYBHXLJY-KKUMJFAQSA-N 1 3 324.469 0.326 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)NC ZINC001367146903 955399862 /nfs/dbraw/zinc/39/98/62/955399862.db2.gz BWANYQXXJDSKAU-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H](C)C(N)=O ZINC001367152317 955409477 /nfs/dbraw/zinc/40/94/77/955409477.db2.gz VNOXYVIULLMHAQ-SWLSCSKDSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@H]1CCCC[C@]1(C[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001367200518 955454876 /nfs/dbraw/zinc/45/48/76/955454876.db2.gz XGDRINUAFAHGCA-SUMWQHHRSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001367207642 955463047 /nfs/dbraw/zinc/46/30/47/955463047.db2.gz LSHIECCAXKOHLG-UMVBOHGHSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001367207642 955463051 /nfs/dbraw/zinc/46/30/51/955463051.db2.gz LSHIECCAXKOHLG-UMVBOHGHSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001285585133 955812718 /nfs/dbraw/zinc/81/27/18/955812718.db2.gz KVQUCYLPBXDFTF-LQYUOIDQSA-N 1 3 324.469 0.457 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CCC1)N(C)C(=O)CN1CCCC1 ZINC001367404283 957775537 /nfs/dbraw/zinc/77/55/37/957775537.db2.gz KNLGATHHWWGNSU-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001367425082 957798046 /nfs/dbraw/zinc/79/80/46/957798046.db2.gz QHDUPNZCSUWISA-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001446976942 1013160288 /nfs/dbraw/zinc/16/02/88/1013160288.db2.gz ZRUYYYMXHZRVRX-STQMWFEESA-N 1 3 321.425 0.161 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367514827 957939805 /nfs/dbraw/zinc/93/98/05/957939805.db2.gz MUNBNPUUXFAEQU-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001367514827 957939808 /nfs/dbraw/zinc/93/98/08/957939808.db2.gz MUNBNPUUXFAEQU-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001367673507 958330022 /nfs/dbraw/zinc/33/00/22/958330022.db2.gz ZTXYRQJLPVPOQX-UTLUCORTSA-N 1 3 305.369 0.897 20 0 DCADHO C[C@H](C[NH2+]Cc1ccc(CO)cc1)NC(=O)C[C@H](C)NC(N)=O ZINC001367674322 958331844 /nfs/dbraw/zinc/33/18/44/958331844.db2.gz ZDHQLHJUAQYPOX-NWDGAFQWSA-N 1 3 322.409 0.220 20 0 DCADHO C[C@H](C[NH2+]Cc1cccnc1)NC(=O)COCc1nccn1C ZINC001367674546 958332096 /nfs/dbraw/zinc/33/20/96/958332096.db2.gz DLBAYZVBZHUKOL-CYBMUJFWSA-N 1 3 317.393 0.626 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001367774063 958548913 /nfs/dbraw/zinc/54/89/13/958548913.db2.gz GUEQUPPPCWILMJ-LBPRGKRZSA-N 1 3 300.447 0.336 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)NC2CC2)C1 ZINC001376792419 958852228 /nfs/dbraw/zinc/85/22/28/958852228.db2.gz VKAXQMZUVDOTNV-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)NC2CC2)C1 ZINC001376792419 958852246 /nfs/dbraw/zinc/85/22/46/958852246.db2.gz VKAXQMZUVDOTNV-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001367916401 958858314 /nfs/dbraw/zinc/85/83/14/958858314.db2.gz AEAVSOVQTBUASI-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccnn1C)C1CC1)N(C)C ZINC001367918761 958865521 /nfs/dbraw/zinc/86/55/21/958865521.db2.gz IAKYYFVQLORMLO-GJZGRUSLSA-N 1 3 307.442 0.745 20 0 DCADHO Cn1cc(CNC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC2)cn1 ZINC001376811755 958899151 /nfs/dbraw/zinc/89/91/51/958899151.db2.gz WUHLJXAHVNWNAT-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1cc(CNC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC2)cn1 ZINC001376811755 958899175 /nfs/dbraw/zinc/89/91/75/958899175.db2.gz WUHLJXAHVNWNAT-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001491685747 959050962 /nfs/dbraw/zinc/05/09/62/959050962.db2.gz YXBWAMANTQSZOG-LBPRGKRZSA-N 1 3 300.447 0.336 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001376900810 959100730 /nfs/dbraw/zinc/10/07/30/959100730.db2.gz KONFGAOLFHRACG-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376919317 959136349 /nfs/dbraw/zinc/13/63/49/959136349.db2.gz YQXWCVPWQCUNAI-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO COc1nccc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001376938645 959175098 /nfs/dbraw/zinc/17/50/98/959175098.db2.gz HUBMBAVUZVKXFH-CYBMUJFWSA-N 1 3 321.425 0.375 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001492055138 959529502 /nfs/dbraw/zinc/52/95/02/959529502.db2.gz IGCPRKJMGLQOLA-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC1([NH2+]CCn2cncn2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377307637 959897379 /nfs/dbraw/zinc/89/73/79/959897379.db2.gz XJUGGQBCIHZGMG-UHFFFAOYSA-N 1 3 317.397 0.215 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]CC(=O)N3CCC3)CCC2)C1 ZINC001368486151 959929332 /nfs/dbraw/zinc/92/93/32/959929332.db2.gz IFFBSSCMKVVTLL-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001368517484 959971386 /nfs/dbraw/zinc/97/13/86/959971386.db2.gz FCUVMRJYBDQEJM-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001368517484 959971399 /nfs/dbraw/zinc/97/13/99/959971399.db2.gz FCUVMRJYBDQEJM-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001368606124 960082464 /nfs/dbraw/zinc/08/24/64/960082464.db2.gz KZPKPMWFNDWSHH-QHSBEEBCSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccn(C)n1 ZINC001377432478 960094624 /nfs/dbraw/zinc/09/46/24/960094624.db2.gz MYCADYPNORNMRE-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001368655252 960127890 /nfs/dbraw/zinc/12/78/90/960127890.db2.gz CNJSZYRFVHMSMC-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001377488547 960179048 /nfs/dbraw/zinc/17/90/48/960179048.db2.gz OHNXRJTYTSSOMV-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001368749101 960222340 /nfs/dbraw/zinc/22/23/40/960222340.db2.gz MNGXWSDRHSTTNQ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368749101 960222347 /nfs/dbraw/zinc/22/23/47/960222347.db2.gz MNGXWSDRHSTTNQ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](NCCN(C)C(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001377592111 960332542 /nfs/dbraw/zinc/33/25/42/960332542.db2.gz IDBHBLDFJCYDNZ-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCCO)c2ccccc2)CC[N@@H+]1C ZINC001377623671 960362352 /nfs/dbraw/zinc/36/23/52/960362352.db2.gz RQFLKNLVPBVSGJ-FVQBIDKESA-N 1 3 305.422 0.766 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCCO)c2ccccc2)CC[N@H+]1C ZINC001377623671 960362357 /nfs/dbraw/zinc/36/23/57/960362357.db2.gz RQFLKNLVPBVSGJ-FVQBIDKESA-N 1 3 305.422 0.766 20 0 DCADHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(N)=O ZINC001378346953 960629455 /nfs/dbraw/zinc/62/94/55/960629455.db2.gz ZXNPVRNFGPVRKW-CQSZACIVSA-N 1 3 306.410 0.332 20 0 DCADHO CC[C@@H]([NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1)C(N)=O ZINC001378361166 960649015 /nfs/dbraw/zinc/64/90/15/960649015.db2.gz CCSMLYISEVOTAK-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001378445265 960768465 /nfs/dbraw/zinc/76/84/65/960768465.db2.gz WJZNKPDQKUJYAD-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001378516549 960911277 /nfs/dbraw/zinc/91/12/77/960911277.db2.gz YEOZQLSVAOOECS-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO N[C@@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)C1CCOCC1 ZINC001549025694 1013231202 /nfs/dbraw/zinc/23/12/02/1013231202.db2.gz LBIZDUOPFIJTOI-BXKDBHETSA-N 1 3 310.423 0.652 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378816322 961534731 /nfs/dbraw/zinc/53/47/31/961534731.db2.gz GXEKUFWRMHUHNK-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C(C)C ZINC001378853423 961606069 /nfs/dbraw/zinc/60/60/69/961606069.db2.gz BLKOCEDVWHKGFN-AWEZNQCLSA-N 1 3 314.474 0.630 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001378935612 961729912 /nfs/dbraw/zinc/72/99/12/961729912.db2.gz UXOZHVOTBHAFEJ-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001378935612 961729915 /nfs/dbraw/zinc/72/99/15/961729915.db2.gz UXOZHVOTBHAFEJ-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001447155975 1013288005 /nfs/dbraw/zinc/28/80/05/1013288005.db2.gz FXHAROPUNZFDNQ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001447155975 1013288011 /nfs/dbraw/zinc/28/80/11/1013288011.db2.gz FXHAROPUNZFDNQ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC001379730537 961875093 /nfs/dbraw/zinc/87/50/93/961875093.db2.gz VTAMQBFVSXAWPH-AWEZNQCLSA-N 1 3 322.457 0.445 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCC(=O)NC)C1CC1 ZINC001379031303 961918583 /nfs/dbraw/zinc/91/85/83/961918583.db2.gz ZYOFZCYUMJAHOL-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCC(=O)NC)C1CC1 ZINC001379031303 961918591 /nfs/dbraw/zinc/91/85/91/961918591.db2.gz ZYOFZCYUMJAHOL-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001379050390 961974071 /nfs/dbraw/zinc/97/40/71/961974071.db2.gz AHSPKXKIYQHYPT-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN(C)CCn1cccn1)[NH+](C)C ZINC001379117129 962143718 /nfs/dbraw/zinc/14/37/18/962143718.db2.gz KFPLZGHWMFTOSW-OAHLLOKOSA-N 1 3 309.458 0.860 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001379851914 962144083 /nfs/dbraw/zinc/14/40/83/962144083.db2.gz BSPAZIGMOGWIQG-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001379917892 962292338 /nfs/dbraw/zinc/29/23/38/962292338.db2.gz MWGVHBHWFDJZGN-UONOGXRCSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001379917871 962295582 /nfs/dbraw/zinc/29/55/82/962295582.db2.gz MWGVHBHWFDJZGN-KBPBESRZSA-N 1 3 310.442 0.042 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)C1(N(C)C)CCC1 ZINC001379303282 962582235 /nfs/dbraw/zinc/58/22/35/962582235.db2.gz ITVJQMQUINCHBX-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001379304030 962582782 /nfs/dbraw/zinc/58/27/82/962582782.db2.gz LRKYKRAKWFGYFV-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001379304030 962582798 /nfs/dbraw/zinc/58/27/98/962582798.db2.gz LRKYKRAKWFGYFV-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001379381764 962781660 /nfs/dbraw/zinc/78/16/60/962781660.db2.gz LFIYRCQYRZDIPT-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)CC1 ZINC001380279154 962980830 /nfs/dbraw/zinc/98/08/30/962980830.db2.gz GJHFFNBSLMCJBU-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001379511591 963100338 /nfs/dbraw/zinc/10/03/38/963100338.db2.gz XLFFNLBVXHVJCZ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001379511591 963100347 /nfs/dbraw/zinc/10/03/47/963100347.db2.gz XLFFNLBVXHVJCZ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001379547118 963165080 /nfs/dbraw/zinc/16/50/80/963165080.db2.gz CRXYBWOXEOSAFW-SWLSCSKDSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN[C@@H]2CCCNC2=O)CC1 ZINC001379571042 963195156 /nfs/dbraw/zinc/19/51/56/963195156.db2.gz GRKFURGGFITLOY-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001379597547 963242153 /nfs/dbraw/zinc/24/21/53/963242153.db2.gz KAZRYKCTHRASLR-DOMZBBRYSA-N 1 3 307.442 0.759 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379599595 963245504 /nfs/dbraw/zinc/24/55/04/963245504.db2.gz NUKSFTCCLAOXQB-AAEUAGOBSA-N 1 3 308.430 0.152 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379599595 963245511 /nfs/dbraw/zinc/24/55/11/963245511.db2.gz NUKSFTCCLAOXQB-AAEUAGOBSA-N 1 3 308.430 0.152 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNCc2cnns2)C1 ZINC001379677856 963375164 /nfs/dbraw/zinc/37/51/64/963375164.db2.gz OJRMDMWYBBAPBS-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001380678850 963482633 /nfs/dbraw/zinc/48/26/33/963482633.db2.gz HDPFDCDXQHOLNY-QDMKHBRRSA-N 1 3 324.469 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001380678850 963482641 /nfs/dbraw/zinc/48/26/41/963482641.db2.gz HDPFDCDXQHOLNY-QDMKHBRRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)C1CCC1 ZINC001380692888 963493790 /nfs/dbraw/zinc/49/37/90/963493790.db2.gz RUPATOPRYZNPNF-YOWGUQMCSA-N 1 3 322.453 0.315 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)C1CCC1 ZINC001380692888 963493794 /nfs/dbraw/zinc/49/37/94/963493794.db2.gz RUPATOPRYZNPNF-YOWGUQMCSA-N 1 3 322.453 0.315 20 0 DCADHO CCCN(C)CC(=O)N1CC2(C1)CC[NH+]([C@H](CC)C(N)=O)CC2 ZINC001380803402 963592160 /nfs/dbraw/zinc/59/21/60/963592160.db2.gz LADHHPZLBCGDPS-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001381340155 963982448 /nfs/dbraw/zinc/98/24/48/963982448.db2.gz QWIWDGGAUCCGCK-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001375178072 964101421 /nfs/dbraw/zinc/10/14/21/964101421.db2.gz RAVRHXBOHVNGMZ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC001375478716 964454745 /nfs/dbraw/zinc/45/47/45/964454745.db2.gz NUNJQGVLDADOSK-QWHCGFSZSA-N 1 3 310.442 0.042 20 0 DCADHO Cc1cc(C)n(CCN2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)n1 ZINC001373678573 964465936 /nfs/dbraw/zinc/46/59/36/964465936.db2.gz DHBJTESZEADFMH-MRXNPFEDSA-N 1 3 321.469 0.984 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](NCC(=O)Nc2ccon2)C1 ZINC001375539966 964528888 /nfs/dbraw/zinc/52/88/88/964528888.db2.gz ABVRVKAERIMTJT-HAQNSBGRSA-N 1 3 323.397 0.049 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001369210459 964530167 /nfs/dbraw/zinc/53/01/67/964530167.db2.gz USCZIPRTECECHI-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001369250777 964597845 /nfs/dbraw/zinc/59/78/45/964597845.db2.gz KFGQQBYPZNXEPP-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001375632776 964637584 /nfs/dbraw/zinc/63/75/84/964637584.db2.gz NRCXZYHBYBQPDZ-OAHLLOKOSA-N 1 3 308.426 0.894 20 0 DCADHO CC(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001375632776 964637590 /nfs/dbraw/zinc/63/75/90/964637590.db2.gz NRCXZYHBYBQPDZ-OAHLLOKOSA-N 1 3 308.426 0.894 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001369290460 964664492 /nfs/dbraw/zinc/66/44/92/964664492.db2.gz IGFFGCMRPWYAPH-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001373912938 964779464 /nfs/dbraw/zinc/77/94/64/964779464.db2.gz SPWSXDIMSFEHCB-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N1CC[C@H](NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001375763099 964806984 /nfs/dbraw/zinc/80/69/84/964806984.db2.gz LQVHHDGXZCDJRX-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001375763797 964812042 /nfs/dbraw/zinc/81/20/42/964812042.db2.gz AUEAQCRWERTOAT-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001375767713 964814512 /nfs/dbraw/zinc/81/45/12/964814512.db2.gz QOSMDZKYDCGQLY-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375767713 964814523 /nfs/dbraw/zinc/81/45/23/964814523.db2.gz QOSMDZKYDCGQLY-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001373962869 964825556 /nfs/dbraw/zinc/82/55/56/964825556.db2.gz ABDZQYHWQKILHZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001373962869 964825561 /nfs/dbraw/zinc/82/55/61/964825561.db2.gz ABDZQYHWQKILHZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccnn1C ZINC001374070635 964975055 /nfs/dbraw/zinc/97/50/55/964975055.db2.gz DUGUBDLEUJJBBC-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001369443524 964985286 /nfs/dbraw/zinc/98/52/86/964985286.db2.gz UAYUNXRGNDTNHN-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CCCC1)N(C)C ZINC001374161538 965083861 /nfs/dbraw/zinc/08/38/61/965083861.db2.gz BRGGVOWVSKAPAT-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC2CCC2)C1 ZINC001369508352 965110587 /nfs/dbraw/zinc/11/05/87/965110587.db2.gz UUSCEGQHBYRXNK-GDBMZVCRSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC2CCC2)C1 ZINC001369508352 965110594 /nfs/dbraw/zinc/11/05/94/965110594.db2.gz UUSCEGQHBYRXNK-GDBMZVCRSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374289946 965232722 /nfs/dbraw/zinc/23/27/22/965232722.db2.gz YHJRBINELGAEAD-OLZOCXBDSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303283 965255584 /nfs/dbraw/zinc/25/55/84/965255584.db2.gz IPYDWCWHDZETEN-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001374421026 965368820 /nfs/dbraw/zinc/36/88/20/965368820.db2.gz YMYSIIRIFMXWIZ-FVQBIDKESA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001374421026 965368833 /nfs/dbraw/zinc/36/88/33/965368833.db2.gz YMYSIIRIFMXWIZ-FVQBIDKESA-N 1 3 321.469 0.991 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC)C2)C1 ZINC001376331166 965530105 /nfs/dbraw/zinc/53/01/05/965530105.db2.gz IKERYDXOXKKCSF-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC)C2)C1 ZINC001376331166 965530115 /nfs/dbraw/zinc/53/01/15/965530115.db2.gz IKERYDXOXKKCSF-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376345985 965547063 /nfs/dbraw/zinc/54/70/63/965547063.db2.gz NWPFGZBMQCRZKW-QWHCGFSZSA-N 1 3 321.425 0.303 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376480698 965717199 /nfs/dbraw/zinc/71/71/99/965717199.db2.gz SZTOYSTXWHUWBG-OKILXGFUSA-N 1 3 306.410 0.779 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001374711586 965798381 /nfs/dbraw/zinc/79/83/81/965798381.db2.gz GWVZQXMJZWZCJE-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001374711586 965798394 /nfs/dbraw/zinc/79/83/94/965798394.db2.gz GWVZQXMJZWZCJE-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860641 1013606384 /nfs/dbraw/zinc/60/63/84/1013606384.db2.gz BQHHQZJGWOHURM-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001370259360 965929537 /nfs/dbraw/zinc/92/95/37/965929537.db2.gz UICDNXVBHZWNFF-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001370259360 965929546 /nfs/dbraw/zinc/92/95/46/965929546.db2.gz UICDNXVBHZWNFF-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001376684929 965985368 /nfs/dbraw/zinc/98/53/68/965985368.db2.gz OXYOGAJGVZLJPJ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001430606470 1013620223 /nfs/dbraw/zinc/62/02/23/1013620223.db2.gz IJCOZHAAKKEVAY-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001430606470 1013620233 /nfs/dbraw/zinc/62/02/33/1013620233.db2.gz IJCOZHAAKKEVAY-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cn(C)nc2C)C1 ZINC001370404204 966084206 /nfs/dbraw/zinc/08/42/06/966084206.db2.gz JEDIACQGOUGFLQ-HNNXBMFYSA-N 1 3 307.442 0.761 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cn(C)nc2C)C1 ZINC001370404204 966084219 /nfs/dbraw/zinc/08/42/19/966084219.db2.gz JEDIACQGOUGFLQ-HNNXBMFYSA-N 1 3 307.442 0.761 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001374889357 966098812 /nfs/dbraw/zinc/09/88/12/966098812.db2.gz ITBLESSNICSLJK-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001374889357 966098826 /nfs/dbraw/zinc/09/88/26/966098826.db2.gz ITBLESSNICSLJK-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)N(C)C ZINC001376740338 966099602 /nfs/dbraw/zinc/09/96/02/966099602.db2.gz AEEBQQXTAREHLO-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(=O)N(C)C ZINC001376740338 966099615 /nfs/dbraw/zinc/09/96/15/966099615.db2.gz AEEBQQXTAREHLO-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374930393 966151938 /nfs/dbraw/zinc/15/19/38/966151938.db2.gz WMDKVCIOCUSSGR-KKUMJFAQSA-N 1 3 322.453 0.092 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374930393 966151946 /nfs/dbraw/zinc/15/19/46/966151946.db2.gz WMDKVCIOCUSSGR-KKUMJFAQSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H](NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001374960646 966177389 /nfs/dbraw/zinc/17/73/89/966177389.db2.gz CTUXZBWHGBCEDP-QWHCGFSZSA-N 1 3 322.453 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001370550633 966235177 /nfs/dbraw/zinc/23/51/77/966235177.db2.gz ZBAUUARWZQCZEN-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001381446895 966425492 /nfs/dbraw/zinc/42/54/92/966425492.db2.gz GYFMRONWJMCJOG-KGLIPLIRSA-N 1 3 322.453 0.708 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001371075731 966706248 /nfs/dbraw/zinc/70/62/48/966706248.db2.gz YZIIAMIJOFUZNU-IYXRBSQSSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1)[NH+](C)C ZINC001371213999 966818824 /nfs/dbraw/zinc/81/88/24/966818824.db2.gz SCNKYQKXIBYWFB-DOMZBBRYSA-N 1 3 312.458 0.288 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381980919 966840137 /nfs/dbraw/zinc/84/01/37/966840137.db2.gz HVAOEOUANHQARW-LSDHHAIUSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381980919 966840146 /nfs/dbraw/zinc/84/01/46/966840146.db2.gz HVAOEOUANHQARW-LSDHHAIUSA-N 1 3 313.442 0.011 20 0 DCADHO CN(C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001371574553 967134926 /nfs/dbraw/zinc/13/49/26/967134926.db2.gz PGBIVIZEXGMHIB-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001371585305 967145804 /nfs/dbraw/zinc/14/58/04/967145804.db2.gz QQLGKOCQACDHOR-CJNGLKHVSA-N 1 3 324.469 0.289 20 0 DCADHO Cc1ccccc1C[NH2+][C@@H](CO)CNC(=O)CN(C)C(C)C ZINC001382281594 967162605 /nfs/dbraw/zinc/16/26/05/967162605.db2.gz JBHXYGBWTFCRJR-MRXNPFEDSA-N 1 3 307.438 0.902 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001382292066 967173354 /nfs/dbraw/zinc/17/33/54/967173354.db2.gz WNTCFAOLUJZIQD-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001430739148 1013704886 /nfs/dbraw/zinc/70/48/86/1013704886.db2.gz PMHWTQYLUOEHAK-NSHDSACASA-N 1 3 321.425 0.223 20 0 DCADHO C[C@@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001382319381 967211820 /nfs/dbraw/zinc/21/18/20/967211820.db2.gz SHYWUORTXHEVIC-ZIAGYGMSSA-N 1 3 319.453 0.841 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC001382588725 967522847 /nfs/dbraw/zinc/52/28/47/967522847.db2.gz JCBVAIBUGARARK-UHFFFAOYSA-N 1 3 308.430 0.236 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC001382588725 967522854 /nfs/dbraw/zinc/52/28/54/967522854.db2.gz JCBVAIBUGARARK-UHFFFAOYSA-N 1 3 308.430 0.236 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001382590654 967525303 /nfs/dbraw/zinc/52/53/03/967525303.db2.gz RXHHATLCKAVZLF-NRXISQOPSA-N 1 3 324.469 0.526 20 0 DCADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)CCn1cccn1 ZINC001372468037 968012213 /nfs/dbraw/zinc/01/22/13/968012213.db2.gz WBPOQUKAGZXZHL-UHFFFAOYSA-N 1 3 305.426 0.417 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001372539033 968100730 /nfs/dbraw/zinc/10/07/30/968100730.db2.gz AAZFCASMQJMKAY-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001372684149 968250492 /nfs/dbraw/zinc/25/04/92/968250492.db2.gz YDZCEZUKRVXFDH-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001430922867 1013796877 /nfs/dbraw/zinc/79/68/77/1013796877.db2.gz GDLJWRBYPOUXRD-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001430922867 1013796881 /nfs/dbraw/zinc/79/68/81/1013796881.db2.gz GDLJWRBYPOUXRD-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001372948559 968557799 /nfs/dbraw/zinc/55/77/99/968557799.db2.gz PAORAZRWTTXAOJ-ZDUSSCGKSA-N 1 3 314.474 0.489 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1=O ZINC001372994013 968608262 /nfs/dbraw/zinc/60/82/62/968608262.db2.gz SWEBIKJJYJYCHV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1=O ZINC001372994013 968608270 /nfs/dbraw/zinc/60/82/70/968608270.db2.gz SWEBIKJJYJYCHV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)NC(C)(C)C ZINC001372994039 968608593 /nfs/dbraw/zinc/60/85/93/968608593.db2.gz TUPYYWBNYPVPDJ-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001372995984 968608843 /nfs/dbraw/zinc/60/88/43/968608843.db2.gz XGKZYEIHCYEXBD-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC1C[NH+](C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001373550847 969219940 /nfs/dbraw/zinc/21/99/40/969219940.db2.gz RWFKJPZQEJRNJK-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001448526267 1013942464 /nfs/dbraw/zinc/94/24/64/1013942464.db2.gz NSZUJGJTWJBTFE-RBSFLKMASA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+][C@@H]2CCNC2=O)C2CC2)CCC1 ZINC001448587677 1013958932 /nfs/dbraw/zinc/95/89/32/1013958932.db2.gz CSXQWNOPRPMUOM-ZIAGYGMSSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)CN1CCCC1 ZINC001431333101 1014000439 /nfs/dbraw/zinc/00/04/39/1014000439.db2.gz SCVVTCUJBJEGKX-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)CN1CCCC1 ZINC001431333101 1014000444 /nfs/dbraw/zinc/00/04/44/1014000444.db2.gz SCVVTCUJBJEGKX-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001448906276 1014091411 /nfs/dbraw/zinc/09/14/11/1014091411.db2.gz MAOFNAQXPGCCLV-GJZGRUSLSA-N 1 3 311.470 0.974 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+]([C@@H]1CCNC1=O)CC2 ZINC001449009164 1014130855 /nfs/dbraw/zinc/13/08/55/1014130855.db2.gz GJLWSHBJXXZYJV-KEYYUXOJSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC001449009164 1014130862 /nfs/dbraw/zinc/13/08/62/1014130862.db2.gz GJLWSHBJXXZYJV-KEYYUXOJSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001449079165 1014173411 /nfs/dbraw/zinc/17/34/11/1014173411.db2.gz LJVPQGAYPCBJMY-ZIAGYGMSSA-N 1 3 324.469 0.384 20 0 DCADHO O=C(Nc1cn[nH]c1[C@@H]1CC[NH2+]C1)[C@@H]1CCc2nccn2C1 ZINC001549738706 1014435661 /nfs/dbraw/zinc/43/56/61/1014435661.db2.gz UDYVLFRKBNLWCN-GHMZBOCLSA-N 1 3 300.366 0.884 20 0 DCADHO Cn1cnc([C@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@H]2[NH3+])c1 ZINC001549738773 1014436017 /nfs/dbraw/zinc/43/60/17/1014436017.db2.gz KMFMTOVFKBBBCT-LSDHHAIUSA-N 1 3 311.389 0.590 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1 ZINC001449402767 1014461728 /nfs/dbraw/zinc/46/17/28/1014461728.db2.gz OVEUQQDFOVGJTA-UHFFFAOYSA-N 1 3 322.457 0.719 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001550114416 1014580544 /nfs/dbraw/zinc/58/05/44/1014580544.db2.gz RZQRSRPUBZBXNO-HLLBOEOZSA-N 1 3 301.390 0.053 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001523150604 1014582553 /nfs/dbraw/zinc/58/25/53/1014582553.db2.gz NZRKQOIAQHWVMC-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001550193730 1014620106 /nfs/dbraw/zinc/62/01/06/1014620106.db2.gz GZSBDYLCTYBXSC-RRFJBIMHSA-N 1 3 310.442 0.368 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001550193730 1014620112 /nfs/dbraw/zinc/62/01/12/1014620112.db2.gz GZSBDYLCTYBXSC-RRFJBIMHSA-N 1 3 310.442 0.368 20 0 DCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202514 1014625023 /nfs/dbraw/zinc/62/50/23/1014625023.db2.gz OODYOZOEZHREHB-STQMWFEESA-N 1 3 310.442 0.302 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC001550200292 1014625408 /nfs/dbraw/zinc/62/54/08/1014625408.db2.gz GKGLRAZNNWCRRH-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202617 1014626294 /nfs/dbraw/zinc/62/62/94/1014626294.db2.gz OWEPESCAMRZQTO-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC001550200339 1014626412 /nfs/dbraw/zinc/62/64/12/1014626412.db2.gz IEUHABPGZSDASG-KBPBESRZSA-N 1 3 322.453 0.446 20 0 DCADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550233449 1014635378 /nfs/dbraw/zinc/63/53/78/1014635378.db2.gz JPEBXOPNGLOJMJ-YQQAZPJKSA-N 1 3 307.438 0.842 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550719340 1014814028 /nfs/dbraw/zinc/81/40/28/1014814028.db2.gz FVWCCJWRTYSKMR-VGWMRTNUSA-N 1 3 301.390 0.509 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001530575735 1014816989 /nfs/dbraw/zinc/81/69/89/1014816989.db2.gz HBXWZEYEPQBQQK-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001530575735 1014816999 /nfs/dbraw/zinc/81/69/99/1014816999.db2.gz HBXWZEYEPQBQQK-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+][C@]1(CO)CCCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001550730723 1014823130 /nfs/dbraw/zinc/82/31/30/1014823130.db2.gz HQRFDVDCMLKWKH-NVXWUHKLSA-N 1 3 318.421 0.369 20 0 DCADHO CN(C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@H]1CCN(C)C1 ZINC001550756353 1014844944 /nfs/dbraw/zinc/84/49/44/1014844944.db2.gz PZWRUNHZKBQLGA-KBPBESRZSA-N 1 3 310.442 0.491 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC1CN(C(=O)CN2CCCC2)C1 ZINC001450370566 1015095624 /nfs/dbraw/zinc/09/56/24/1015095624.db2.gz KSDOIMQKCAOSHU-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001525141056 1015101394 /nfs/dbraw/zinc/10/13/94/1015101394.db2.gz RVGUVIFHBPMSMD-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001525141056 1015101400 /nfs/dbraw/zinc/10/14/00/1015101400.db2.gz RVGUVIFHBPMSMD-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001384117871 985373328 /nfs/dbraw/zinc/37/33/28/985373328.db2.gz VKXPZMNSDRAXJU-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001386027271 986763920 /nfs/dbraw/zinc/76/39/20/986763920.db2.gz LSXCHDWJXMDYSN-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001386280876 987029985 /nfs/dbraw/zinc/02/99/85/987029985.db2.gz ZWAOMAXQSLBPMG-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001386397610 987124011 /nfs/dbraw/zinc/12/40/11/987124011.db2.gz JDSJVZLWNXKUJE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001386397610 987124019 /nfs/dbraw/zinc/12/40/19/987124019.db2.gz JDSJVZLWNXKUJE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001386552302 987212143 /nfs/dbraw/zinc/21/21/43/987212143.db2.gz TWNVOYQTKNTAMX-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001386552302 987212147 /nfs/dbraw/zinc/21/21/47/987212147.db2.gz TWNVOYQTKNTAMX-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)CCC[NH+](C)C ZINC001386852003 987451766 /nfs/dbraw/zinc/45/17/66/987451766.db2.gz KTRZJESSWRIOKZ-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)CCC[NH+](C)C)C1 ZINC001388101745 988043244 /nfs/dbraw/zinc/04/32/44/988043244.db2.gz CSSUSIGVHQCXPF-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CN(C)C(C)C)C1)[NH+](C)C ZINC001387746464 988111077 /nfs/dbraw/zinc/11/10/77/988111077.db2.gz NSBKJRHNSZZRKH-HNNXBMFYSA-N 1 3 312.458 0.240 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001388452317 988324085 /nfs/dbraw/zinc/32/40/85/988324085.db2.gz UZNBKCHZFXCTLC-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001388452317 988324095 /nfs/dbraw/zinc/32/40/95/988324095.db2.gz UZNBKCHZFXCTLC-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001388699347 988521986 /nfs/dbraw/zinc/52/19/86/988521986.db2.gz RNJBIFVLOCSJHP-YUTCNCBUSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001388723192 988541081 /nfs/dbraw/zinc/54/10/81/988541081.db2.gz AXOAQAZZDGJLNK-RBSFLKMASA-N 1 3 319.453 0.746 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001388763643 988568239 /nfs/dbraw/zinc/56/82/39/988568239.db2.gz BNROPVBMCGJMKY-UHFFFAOYSA-N 1 3 307.398 0.250 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001389344068 989140208 /nfs/dbraw/zinc/14/02/08/989140208.db2.gz JBHHZJVUUOWFPK-OAHLLOKOSA-N 1 3 315.458 0.257 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001389391722 989190820 /nfs/dbraw/zinc/19/08/20/989190820.db2.gz ADALPADMMUUBKZ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001389508802 989345239 /nfs/dbraw/zinc/34/52/39/989345239.db2.gz LZWSTSKWTRTHAI-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001389508802 989345248 /nfs/dbraw/zinc/34/52/48/989345248.db2.gz LZWSTSKWTRTHAI-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001389511743 989350880 /nfs/dbraw/zinc/35/08/80/989350880.db2.gz RDWGDXNCLVTJBG-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001389511743 989350888 /nfs/dbraw/zinc/35/08/88/989350888.db2.gz RDWGDXNCLVTJBG-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001389774304 989563511 /nfs/dbraw/zinc/56/35/11/989563511.db2.gz RYRLTVUAJKTCJV-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001389774304 989563516 /nfs/dbraw/zinc/56/35/16/989563516.db2.gz RYRLTVUAJKTCJV-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC(=O)N1CC(CNC(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001389909686 989676390 /nfs/dbraw/zinc/67/63/90/989676390.db2.gz IOVZGAJDVACDBK-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001390003060 989740933 /nfs/dbraw/zinc/74/09/33/989740933.db2.gz WPJWMYZRTFUQRS-MQYQWHSLSA-N 1 3 312.458 0.478 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001390010240 989744546 /nfs/dbraw/zinc/74/45/46/989744546.db2.gz NBKZDWDCIIEWTD-OKILXGFUSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001390088562 989809641 /nfs/dbraw/zinc/80/96/41/989809641.db2.gz YXIWDQIWTMFGBE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001390088562 989809646 /nfs/dbraw/zinc/80/96/46/989809646.db2.gz YXIWDQIWTMFGBE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001390399889 990059354 /nfs/dbraw/zinc/05/93/54/990059354.db2.gz LNXJIMNXNKPCKB-OCCSQVGLSA-N 1 3 320.441 0.344 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC1CCCC1 ZINC001390464702 990126881 /nfs/dbraw/zinc/12/68/81/990126881.db2.gz QNTCGZUFLSZOCI-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001390511487 990162404 /nfs/dbraw/zinc/16/24/04/990162404.db2.gz PWLIGDVHHPHEOY-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001390511487 990162407 /nfs/dbraw/zinc/16/24/07/990162407.db2.gz PWLIGDVHHPHEOY-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001390532542 990179900 /nfs/dbraw/zinc/17/99/00/990179900.db2.gz IFHOUBVCQXIPGH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC001552851144 1015551855 /nfs/dbraw/zinc/55/18/55/1015551855.db2.gz LQVZERCSMXQWSR-SJLPKXTDSA-N 1 3 320.481 0.757 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCCN2CCn2cccn2)CC1 ZINC001391064400 990554414 /nfs/dbraw/zinc/55/44/14/990554414.db2.gz OFRMREAFDLOVAG-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001451071563 1015573209 /nfs/dbraw/zinc/57/32/09/1015573209.db2.gz GLZYMFXTYGEEJQ-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001451071563 1015573214 /nfs/dbraw/zinc/57/32/14/1015573214.db2.gz GLZYMFXTYGEEJQ-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001391121186 990603319 /nfs/dbraw/zinc/60/33/19/990603319.db2.gz YCCQDRDAPLMLLQ-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001391220642 990679384 /nfs/dbraw/zinc/67/93/84/990679384.db2.gz AYCXPSFQRRVJRM-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCN(CC)C1=O ZINC001391734919 991144761 /nfs/dbraw/zinc/14/47/61/991144761.db2.gz FGPYOXINWKBAKA-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC2(CNCC(N)=O)CCCC2)CC1 ZINC001391772492 991171905 /nfs/dbraw/zinc/17/19/05/991171905.db2.gz SQOUVWPLMMTWQU-UHFFFAOYSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)CC ZINC001391862489 991234557 /nfs/dbraw/zinc/23/45/57/991234557.db2.gz ZZLCGXMZEKGLLH-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001391920969 991292553 /nfs/dbraw/zinc/29/25/53/991292553.db2.gz NPFDLQYUMZAKGP-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)CNCc1nccn1C)[NH+](C)C ZINC001391950775 991321528 /nfs/dbraw/zinc/32/15/28/991321528.db2.gz OSGQPKQEBXTSOC-UKRRQHHQSA-N 1 3 309.458 0.848 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001392024255 991406281 /nfs/dbraw/zinc/40/62/81/991406281.db2.gz RFCZQGYTFGGUDX-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001392024255 991406283 /nfs/dbraw/zinc/40/62/83/991406283.db2.gz RFCZQGYTFGGUDX-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392077344 991471085 /nfs/dbraw/zinc/47/10/85/991471085.db2.gz MTWNBISIDNSXOY-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCn1cc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)nn1 ZINC001392184543 991585638 /nfs/dbraw/zinc/58/56/38/991585638.db2.gz OINKYSAATZOBAA-HIFRSBDPSA-N 1 3 322.457 0.576 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)NCC)C1 ZINC001392502955 992017659 /nfs/dbraw/zinc/01/76/59/992017659.db2.gz KRFBSTVOXWWOKV-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)NCC)C1 ZINC001392502955 992017663 /nfs/dbraw/zinc/01/76/63/992017663.db2.gz KRFBSTVOXWWOKV-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001392506609 992021846 /nfs/dbraw/zinc/02/18/46/992021846.db2.gz WXLKPWNJPRBIHI-GFCCVEGCSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001392532252 992055238 /nfs/dbraw/zinc/05/52/38/992055238.db2.gz ZUSJWYBASRDLAF-NEPJUHHUSA-N 1 3 308.430 0.474 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001392532252 992055245 /nfs/dbraw/zinc/05/52/45/992055245.db2.gz ZUSJWYBASRDLAF-NEPJUHHUSA-N 1 3 308.430 0.474 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001392595492 992139275 /nfs/dbraw/zinc/13/92/75/992139275.db2.gz TUKQDOVIWWPEHI-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001392601122 992143483 /nfs/dbraw/zinc/14/34/83/992143483.db2.gz FGXZOJOOYBRZDY-STQMWFEESA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](CNCc1cncc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001392608354 992155720 /nfs/dbraw/zinc/15/57/20/992155720.db2.gz MJYWKAGTRVTIMX-LBPRGKRZSA-N 1 3 306.385 0.911 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)CC1CC[NH+](C)CC1 ZINC001392698953 992284833 /nfs/dbraw/zinc/28/48/33/992284833.db2.gz CPXBGXINJYITMT-CQSZACIVSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392731031 992334371 /nfs/dbraw/zinc/33/43/71/992334371.db2.gz VRICNJWRWSPJKP-ZIAGYGMSSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392731031 992334378 /nfs/dbraw/zinc/33/43/78/992334378.db2.gz VRICNJWRWSPJKP-ZIAGYGMSSA-N 1 3 307.442 0.351 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001392788945 992397809 /nfs/dbraw/zinc/39/78/09/992397809.db2.gz NZHMLOJDVRXBDM-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001393141449 992713793 /nfs/dbraw/zinc/71/37/93/992713793.db2.gz HSVHOUHTGNKEGD-RHSMWYFYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CCn1cncn1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393397402 992945112 /nfs/dbraw/zinc/94/51/12/992945112.db2.gz VTXKQSJZEONCFX-QWHCGFSZSA-N 1 3 317.397 0.071 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001393453256 993003425 /nfs/dbraw/zinc/00/34/25/993003425.db2.gz LLAJXROJUWFGFJ-HIFRSBDPSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001393496268 993033258 /nfs/dbraw/zinc/03/32/58/993033258.db2.gz YMPRYCWCFAFFRP-XGUBFFRZSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cc2n(n1)CCC2 ZINC001393827261 993282912 /nfs/dbraw/zinc/28/29/12/993282912.db2.gz UBEHLNJJGHXZNG-UONOGXRCSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cc2n(n1)CCC2 ZINC001393827261 993282919 /nfs/dbraw/zinc/28/29/19/993282919.db2.gz UBEHLNJJGHXZNG-UONOGXRCSA-N 1 3 319.453 0.765 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001393902157 993333003 /nfs/dbraw/zinc/33/30/03/993333003.db2.gz SYPHPNBTDBNCEF-ZBCRRDGASA-N 1 3 321.469 0.991 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001393961605 993375340 /nfs/dbraw/zinc/37/53/40/993375340.db2.gz IBAHHVNJMVLWJA-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001394010743 993410280 /nfs/dbraw/zinc/41/02/80/993410280.db2.gz ZMPMAOCFLPLMHL-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001394067868 993451888 /nfs/dbraw/zinc/45/18/88/993451888.db2.gz PWGVNPKRBMMGFQ-UKRRQHHQSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001394067868 993451892 /nfs/dbraw/zinc/45/18/92/993451892.db2.gz PWGVNPKRBMMGFQ-UKRRQHHQSA-N 1 3 324.469 0.194 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001394389185 993674040 /nfs/dbraw/zinc/67/40/40/993674040.db2.gz JRZLHDMGXBVVII-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001399716696 993699434 /nfs/dbraw/zinc/69/94/34/993699434.db2.gz DBZAMDFAFQCNMI-HNNXBMFYSA-N 1 3 314.474 0.441 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001394491376 993762869 /nfs/dbraw/zinc/76/28/69/993762869.db2.gz UDIZHIOWZDPEOO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001394540552 993812616 /nfs/dbraw/zinc/81/26/16/993812616.db2.gz QGWDEXDFQDGJGI-CYBMUJFWSA-N 1 3 319.453 0.761 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001394545740 993815774 /nfs/dbraw/zinc/81/57/74/993815774.db2.gz XBEWDGDVEWPQSD-UKRRQHHQSA-N 1 3 314.474 0.487 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCC(=O)N1CCC1 ZINC001394566656 993838241 /nfs/dbraw/zinc/83/82/41/993838241.db2.gz LZPPAXUUKABGAZ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCc2ccccc2)C1 ZINC001394635637 993945536 /nfs/dbraw/zinc/94/55/36/993945536.db2.gz MNWBQYNIVVOHSQ-RDJZCZTQSA-N 1 3 319.449 0.638 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@H]1C ZINC001394682318 994016569 /nfs/dbraw/zinc/01/65/69/994016569.db2.gz VOTLCTRCNXAAIF-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@H]1C ZINC001394682318 994016574 /nfs/dbraw/zinc/01/65/74/994016574.db2.gz VOTLCTRCNXAAIF-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001400092359 994149263 /nfs/dbraw/zinc/14/92/63/994149263.db2.gz UEAMGRMREKUNRB-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC[N@@H+]1C ZINC001394825063 994188943 /nfs/dbraw/zinc/18/89/43/994188943.db2.gz ZPFNZBMEQRGGGM-XQQFMLRXSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)CC[N@H+]1C ZINC001394825063 994188946 /nfs/dbraw/zinc/18/89/46/994188946.db2.gz ZPFNZBMEQRGGGM-XQQFMLRXSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001394852940 994213842 /nfs/dbraw/zinc/21/38/42/994213842.db2.gz HUUXMFQGFBWPCT-UHFFFAOYSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1nn(C)cc1CN(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001400237378 994320981 /nfs/dbraw/zinc/32/09/81/994320981.db2.gz LGWHIHBRBHDEMP-OAHLLOKOSA-N 1 3 321.469 0.961 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001395311571 994584610 /nfs/dbraw/zinc/58/46/10/994584610.db2.gz QYTFOGOYDRHZMW-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001395311571 994584623 /nfs/dbraw/zinc/58/46/23/994584623.db2.gz QYTFOGOYDRHZMW-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001395436179 994656184 /nfs/dbraw/zinc/65/61/84/994656184.db2.gz JQQIGBVYOXBDMZ-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001395663697 994848922 /nfs/dbraw/zinc/84/89/22/994848922.db2.gz QHVKAXDODUBIHV-ZFWWWQNUSA-N 1 3 314.474 0.487 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001400915127 995060777 /nfs/dbraw/zinc/06/07/77/995060777.db2.gz TZMWNYPSRYOOQT-DZGCQCFKSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001400915127 995060786 /nfs/dbraw/zinc/06/07/86/995060786.db2.gz TZMWNYPSRYOOQT-DZGCQCFKSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001396481025 995422930 /nfs/dbraw/zinc/42/29/30/995422930.db2.gz NCYJJCVYMHTHMZ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001396935109 995693134 /nfs/dbraw/zinc/69/31/34/995693134.db2.gz FLJMNQNPKNGNDJ-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@](CO)([NH2+]CCCF)C2)CCC1 ZINC001502573740 1015978850 /nfs/dbraw/zinc/97/88/50/1015978850.db2.gz UIRLCWKQIDULLF-OAHLLOKOSA-N 1 3 315.433 0.773 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001397227360 995873905 /nfs/dbraw/zinc/87/39/05/995873905.db2.gz ZDZFWBMLCQKFBK-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001397227360 995873907 /nfs/dbraw/zinc/87/39/07/995873907.db2.gz ZDZFWBMLCQKFBK-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001502589842 1015987966 /nfs/dbraw/zinc/98/79/66/1015987966.db2.gz YZSOSNDEBFYHRD-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001397444825 996003292 /nfs/dbraw/zinc/00/32/92/996003292.db2.gz BZKFSEYZZMTIFV-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCCC1)C1CC1)N(C)C ZINC001398404604 996503529 /nfs/dbraw/zinc/50/35/29/996503529.db2.gz XBJCILQNWGXTTL-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1NCC(=O)N(C)C ZINC001502723794 1016039960 /nfs/dbraw/zinc/03/99/60/1016039960.db2.gz BLJCJDJZDIFOPL-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001398452822 996524475 /nfs/dbraw/zinc/52/44/75/996524475.db2.gz MIKLNZWFCIVGPC-XJKSGUPXSA-N 1 3 315.433 0.676 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001398522969 996552184 /nfs/dbraw/zinc/55/21/84/996552184.db2.gz BDDMRBCBNJESKJ-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001398522969 996552192 /nfs/dbraw/zinc/55/21/92/996552192.db2.gz BDDMRBCBNJESKJ-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001398652779 996622085 /nfs/dbraw/zinc/62/20/85/996622085.db2.gz NPAPZMYTWROLJY-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001398652779 996622090 /nfs/dbraw/zinc/62/20/90/996622090.db2.gz NPAPZMYTWROLJY-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001398766298 996678505 /nfs/dbraw/zinc/67/85/05/996678505.db2.gz HJHOMHVHLVLDOR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001398793045 996690399 /nfs/dbraw/zinc/69/03/99/996690399.db2.gz BZFMEXUSWFWKKB-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001398793045 996690402 /nfs/dbraw/zinc/69/04/02/996690402.db2.gz BZFMEXUSWFWKKB-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](N[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001398969854 996782697 /nfs/dbraw/zinc/78/26/97/996782697.db2.gz GZZUCPCLMDRCCS-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO COc1coc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001399099006 996959651 /nfs/dbraw/zinc/95/96/51/996959651.db2.gz DOUSKCIYQBPMCG-NWDGAFQWSA-N 1 3 323.393 0.194 20 0 DCADHO COc1coc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001399099006 996959660 /nfs/dbraw/zinc/95/96/60/996959660.db2.gz DOUSKCIYQBPMCG-NWDGAFQWSA-N 1 3 323.393 0.194 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001404530053 997210011 /nfs/dbraw/zinc/21/00/11/997210011.db2.gz KEIMMBVHHYIBET-KBPBESRZSA-N 1 3 324.425 0.096 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001404530053 997210023 /nfs/dbraw/zinc/21/00/23/997210023.db2.gz KEIMMBVHHYIBET-KBPBESRZSA-N 1 3 324.425 0.096 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001404627067 997308838 /nfs/dbraw/zinc/30/88/38/997308838.db2.gz CXHQLHLQPMVKIO-KBPBESRZSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001404627067 997308848 /nfs/dbraw/zinc/30/88/48/997308848.db2.gz CXHQLHLQPMVKIO-KBPBESRZSA-N 1 3 324.469 0.241 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001405108158 997802459 /nfs/dbraw/zinc/80/24/59/997802459.db2.gz FTNZFDXOXQMCQK-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCNC(=O)CN[C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001405277111 998048651 /nfs/dbraw/zinc/04/86/51/998048651.db2.gz YFBMLUPSHGJSAB-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(CC)C1CC1 ZINC001405356729 998147136 /nfs/dbraw/zinc/14/71/36/998147136.db2.gz YXFLUUPSUUQQHH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(CC)C1CC1 ZINC001405356729 998147144 /nfs/dbraw/zinc/14/71/44/998147144.db2.gz YXFLUUPSUUQQHH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCC1)N(C)C ZINC001405396202 998188635 /nfs/dbraw/zinc/18/86/35/998188635.db2.gz ZYEAUSFYOCCFPW-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001405572479 998340930 /nfs/dbraw/zinc/34/09/30/998340930.db2.gz XVBPYBXTKAPDIM-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001511202064 1016210923 /nfs/dbraw/zinc/21/09/23/1016210923.db2.gz DNQWKBWZUARAPP-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cnn(C)c2)[C@H]1C ZINC001507293401 1016222332 /nfs/dbraw/zinc/22/23/32/1016222332.db2.gz MUUOQZHECKDAQS-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cnn(C)c2)[C@H]1C ZINC001507293401 1016222338 /nfs/dbraw/zinc/22/23/38/1016222338.db2.gz MUUOQZHECKDAQS-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001405732370 998511578 /nfs/dbraw/zinc/51/15/78/998511578.db2.gz MZAQXHYMCUSCIV-CYBMUJFWSA-N 1 3 317.437 0.723 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001405800129 998574047 /nfs/dbraw/zinc/57/40/47/998574047.db2.gz UOIZEVIDQLBVSY-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001507323252 1016252091 /nfs/dbraw/zinc/25/20/91/1016252091.db2.gz WDCKQHVNXPSGJZ-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505632586 1016379127 /nfs/dbraw/zinc/37/91/27/1016379127.db2.gz MEXUAXHTZUBSHZ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001401121402 1000207907 /nfs/dbraw/zinc/20/79/07/1000207907.db2.gz MZMJLIFEAFPQRH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001401155536 1000234753 /nfs/dbraw/zinc/23/47/53/1000234753.db2.gz QZZQTYLPSFCQJR-ZIAGYGMSSA-N 1 3 322.457 0.448 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001401215906 1000279232 /nfs/dbraw/zinc/27/92/32/1000279232.db2.gz PPEQWAARFSJRFM-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)N(C)C)CC[N@H+]1C ZINC001401215906 1000279235 /nfs/dbraw/zinc/27/92/35/1000279235.db2.gz PPEQWAARFSJRFM-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)C1=O ZINC001401234464 1000294369 /nfs/dbraw/zinc/29/43/69/1000294369.db2.gz APRZDSUIORFGLT-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001401250685 1000307903 /nfs/dbraw/zinc/30/79/03/1000307903.db2.gz GEWGRLCVYLFWRD-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC001418684158 1000448010 /nfs/dbraw/zinc/44/80/10/1000448010.db2.gz KXZGQFMAJZNFLX-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC001418684158 1000448013 /nfs/dbraw/zinc/44/80/13/1000448013.db2.gz KXZGQFMAJZNFLX-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C)s1 ZINC001401590212 1000524349 /nfs/dbraw/zinc/52/43/49/1000524349.db2.gz REFKPBMYVQDDRV-LBPRGKRZSA-N 1 3 314.455 0.358 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC(C)(C)C ZINC001418811008 1000539052 /nfs/dbraw/zinc/53/90/52/1000539052.db2.gz ICWMYQBYYNGMOB-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001401618112 1000554476 /nfs/dbraw/zinc/55/44/76/1000554476.db2.gz IQRMWYNNWIUOIX-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401620548 1000559150 /nfs/dbraw/zinc/55/91/50/1000559150.db2.gz VQEUCGKHKKWSMX-UMVBOHGHSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401620548 1000559155 /nfs/dbraw/zinc/55/91/55/1000559155.db2.gz VQEUCGKHKKWSMX-UMVBOHGHSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@H](CCNC(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001418884747 1000589662 /nfs/dbraw/zinc/58/96/62/1000589662.db2.gz GTHRIBZFZAQSBM-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@H](CCNC(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001418884747 1000589663 /nfs/dbraw/zinc/58/96/63/1000589663.db2.gz GTHRIBZFZAQSBM-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001418891094 1000594780 /nfs/dbraw/zinc/59/47/80/1000594780.db2.gz NGKZMMQVUGAOTH-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001418891094 1000594787 /nfs/dbraw/zinc/59/47/87/1000594787.db2.gz NGKZMMQVUGAOTH-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1=O ZINC001401665930 1000606305 /nfs/dbraw/zinc/60/63/05/1000606305.db2.gz GNSYEGLBBHASOF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401680371 1000620063 /nfs/dbraw/zinc/62/00/63/1000620063.db2.gz MXYMVAZBTXDMEY-SWLSCSKDSA-N 1 3 305.426 0.356 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccnn2C)C1 ZINC001419097918 1000769004 /nfs/dbraw/zinc/76/90/04/1000769004.db2.gz JTKSAZYKLQLGPS-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccnn2C)C1 ZINC001419097918 1000769012 /nfs/dbraw/zinc/76/90/12/1000769012.db2.gz JTKSAZYKLQLGPS-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@H](F)CCN1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001419130260 1000802246 /nfs/dbraw/zinc/80/22/46/1000802246.db2.gz HRWOBUQKGAOFBT-AWEZNQCLSA-N 1 3 302.438 0.420 20 0 DCADHO CN(CC(=O)N[C@@H]1CC12CC[NH+](CCO)CC2)CC(C)(C)C ZINC001419202719 1000876601 /nfs/dbraw/zinc/87/66/01/1000876601.db2.gz CLDIQGHYDHFIFY-CQSZACIVSA-N 1 3 311.470 0.927 20 0 DCADHO CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001401987644 1000930172 /nfs/dbraw/zinc/93/01/72/1000930172.db2.gz XDDAMRALGFLSTR-DKUMPPAJSA-N 1 3 322.453 0.328 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001419405603 1001026337 /nfs/dbraw/zinc/02/63/37/1001026337.db2.gz XUFZOCATMVEKDX-ZDEQEGDKSA-N 1 3 316.421 0.038 20 0 DCADHO Cn1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1=O ZINC001402186048 1001094342 /nfs/dbraw/zinc/09/43/42/1001094342.db2.gz LQOKKWIWFBBMRA-HNNXBMFYSA-N 1 3 320.437 0.418 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cnns1 ZINC001419508166 1001104326 /nfs/dbraw/zinc/10/43/26/1001104326.db2.gz JIHPJULTYMZFBW-VXGBXAGGSA-N 1 3 311.455 0.722 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CC12CCN([C@H](C)C(=O)NC)CC2 ZINC001402249631 1001138981 /nfs/dbraw/zinc/13/89/81/1001138981.db2.gz VAYZEICQQPBEID-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN([C@H](C)C(=O)NC)CC2 ZINC001402249631 1001138985 /nfs/dbraw/zinc/13/89/85/1001138985.db2.gz VAYZEICQQPBEID-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001419621671 1001175267 /nfs/dbraw/zinc/17/52/67/1001175267.db2.gz AOZXWWZCWPZDMX-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)OCC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001402314649 1001207693 /nfs/dbraw/zinc/20/76/93/1001207693.db2.gz MAXBYENJZKQFFU-INIZCTEOSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)OCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001402314649 1001207700 /nfs/dbraw/zinc/20/77/00/1001207700.db2.gz MAXBYENJZKQFFU-INIZCTEOSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001419707809 1001237882 /nfs/dbraw/zinc/23/78/82/1001237882.db2.gz XNQSUFPUXBNGDU-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2C1)N(C)C ZINC001402427212 1001297864 /nfs/dbraw/zinc/29/78/64/1001297864.db2.gz ZSTCVEBJFPPRMB-JONQDZQNSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@@H]2C1)N(C)C ZINC001402427212 1001297867 /nfs/dbraw/zinc/29/78/67/1001297867.db2.gz ZSTCVEBJFPPRMB-JONQDZQNSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)C[C@H](CN[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001419791518 1001310386 /nfs/dbraw/zinc/31/03/86/1001310386.db2.gz CQPXOUISKACDMC-KGLIPLIRSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H](C)C(=O)N(C)C ZINC001419827666 1001338065 /nfs/dbraw/zinc/33/80/65/1001338065.db2.gz PSLCQMRXWMNTPC-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001419835412 1001344155 /nfs/dbraw/zinc/34/41/55/1001344155.db2.gz CIAPLGXJVMWIOF-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001402492409 1001357580 /nfs/dbraw/zinc/35/75/80/1001357580.db2.gz KGLUAWSQYOXPPA-AJNGGQMLSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC)CC1)N(C)C ZINC001402506139 1001367536 /nfs/dbraw/zinc/36/75/36/1001367536.db2.gz NADRSTMZQQCLRB-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001402557692 1001405701 /nfs/dbraw/zinc/40/57/01/1001405701.db2.gz CAOGBZBTGXUCOG-JALIKCBVSA-N 1 3 322.453 0.328 20 0 DCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001402557692 1001405706 /nfs/dbraw/zinc/40/57/06/1001405706.db2.gz CAOGBZBTGXUCOG-JALIKCBVSA-N 1 3 322.453 0.328 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001402585859 1001423569 /nfs/dbraw/zinc/42/35/69/1001423569.db2.gz KDTAQPQSTXKRBY-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001402585859 1001423572 /nfs/dbraw/zinc/42/35/72/1001423572.db2.gz KDTAQPQSTXKRBY-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCn2cccn2)CC1 ZINC001402768785 1001495212 /nfs/dbraw/zinc/49/52/12/1001495212.db2.gz FQWHQSLNOGZSHU-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001402772291 1001496050 /nfs/dbraw/zinc/49/60/50/1001496050.db2.gz OYKRGFSEISVQMD-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001402881374 1001554001 /nfs/dbraw/zinc/55/40/01/1001554001.db2.gz LDCYZRJNDMJLGM-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC1CCCC1 ZINC001402892079 1001559707 /nfs/dbraw/zinc/55/97/07/1001559707.db2.gz NOWONHNQRSNHOW-GZBFAFLISA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC1CCCC1 ZINC001402892079 1001559711 /nfs/dbraw/zinc/55/97/11/1001559711.db2.gz NOWONHNQRSNHOW-GZBFAFLISA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001402940983 1001592540 /nfs/dbraw/zinc/59/25/40/1001592540.db2.gz NSZUJGJTWJBTFE-NRXISQOPSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](NCC(=O)N(C)C1CC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001403051188 1001650824 /nfs/dbraw/zinc/65/08/24/1001650824.db2.gz PQRRCWCMVPVPPX-STQMWFEESA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403061226 1001654578 /nfs/dbraw/zinc/65/45/78/1001654578.db2.gz RZUXGSBLDKMZNV-LBPRGKRZSA-N 1 3 307.442 0.807 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403155422 1001697967 /nfs/dbraw/zinc/69/79/67/1001697967.db2.gz CRKUPZQZNOJJSM-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCCNC1=O ZINC001403165992 1001703079 /nfs/dbraw/zinc/70/30/79/1001703079.db2.gz NFESJDHURGBBFP-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001419971480 1001734018 /nfs/dbraw/zinc/73/40/18/1001734018.db2.gz DHKUAKNUTUYEOG-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001403249844 1001761659 /nfs/dbraw/zinc/76/16/59/1001761659.db2.gz NXTKUPVBICGLIY-SOUVJXGZSA-N 1 3 315.458 0.018 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001424678162 1001909422 /nfs/dbraw/zinc/90/94/22/1001909422.db2.gz IWPJYCRUYPMNAA-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1 ZINC001420131183 1001919259 /nfs/dbraw/zinc/91/92/59/1001919259.db2.gz FBULRTWIKOPTJN-HNNXBMFYSA-N 1 3 303.406 0.951 20 0 DCADHO CCn1ccc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001403469780 1001998503 /nfs/dbraw/zinc/99/85/03/1001998503.db2.gz QBSFYEWKFBUAER-KBPBESRZSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001403469780 1001998510 /nfs/dbraw/zinc/99/85/10/1001998510.db2.gz QBSFYEWKFBUAER-KBPBESRZSA-N 1 3 307.442 0.839 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001424777747 1002014032 /nfs/dbraw/zinc/01/40/32/1002014032.db2.gz GEHBEEIEZQFJRM-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)CC(=O)N(C)C)CC1 ZINC001403482795 1002014680 /nfs/dbraw/zinc/01/46/80/1002014680.db2.gz IEWXRIIJPZFOHU-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)CC(=O)N(C)C)CC1 ZINC001403482795 1002014696 /nfs/dbraw/zinc/01/46/96/1002014696.db2.gz IEWXRIIJPZFOHU-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NCc1cnnn1C ZINC001424830873 1002069763 /nfs/dbraw/zinc/06/97/63/1002069763.db2.gz RBVDANAQGFKHFM-QWHCGFSZSA-N 1 3 322.457 0.530 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001420232484 1002083117 /nfs/dbraw/zinc/08/31/17/1002083117.db2.gz FWUXFLRFTOGPPU-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001424856408 1002097744 /nfs/dbraw/zinc/09/77/44/1002097744.db2.gz MQVGVPCHILWHFA-KBPBESRZSA-N 1 3 309.458 0.786 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001424856412 1002098181 /nfs/dbraw/zinc/09/81/81/1002098181.db2.gz MQVGVPCHILWHFA-KGLIPLIRSA-N 1 3 309.458 0.786 20 0 DCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(=O)NCC1CC1 ZINC001424859404 1002101256 /nfs/dbraw/zinc/10/12/56/1002101256.db2.gz RRQNCAVMPXEQCG-QWHCGFSZSA-N 1 3 322.453 0.091 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@@H]2C[C@@]23CCOC3)CCC1 ZINC001403573659 1002161456 /nfs/dbraw/zinc/16/14/56/1002161456.db2.gz FKZQJHQJWHLZIH-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@@H]2C[C@@]23CCOC3)CCC1 ZINC001403573659 1002161465 /nfs/dbraw/zinc/16/14/65/1002161465.db2.gz FKZQJHQJWHLZIH-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001403578364 1002166325 /nfs/dbraw/zinc/16/63/25/1002166325.db2.gz WUWZLAZJQVJEEA-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001403631777 1002237757 /nfs/dbraw/zinc/23/77/57/1002237757.db2.gz XYJSZCHASRCIOW-CYBMUJFWSA-N 1 3 322.457 0.926 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001403633509 1002241288 /nfs/dbraw/zinc/24/12/88/1002241288.db2.gz RSLCRPRAOIHZDW-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N1CC[C@H](NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001420337164 1002244906 /nfs/dbraw/zinc/24/49/06/1002244906.db2.gz HGUZKZGSLPORJE-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)CCn1cncn1 ZINC001425027197 1002264561 /nfs/dbraw/zinc/26/45/61/1002264561.db2.gz NZGQOJDLDWCWBG-CQSZACIVSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001425159664 1002408173 /nfs/dbraw/zinc/40/81/73/1002408173.db2.gz IKWFLMGGRGTVBU-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001420436423 1002415280 /nfs/dbraw/zinc/41/52/80/1002415280.db2.gz XJRNHJHQBCVALM-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1ccn(C)c(=O)c1 ZINC001403742413 1002452667 /nfs/dbraw/zinc/45/26/67/1002452667.db2.gz QKIRONANYJUKBN-UHFFFAOYSA-N 1 3 308.426 0.275 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1ccn(C)c(=O)c1 ZINC001403742413 1002452671 /nfs/dbraw/zinc/45/26/71/1002452671.db2.gz QKIRONANYJUKBN-UHFFFAOYSA-N 1 3 308.426 0.275 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C2CC2)C[C@@H]1C ZINC001403746496 1002459681 /nfs/dbraw/zinc/45/96/81/1002459681.db2.gz IWAZITVJNFRXCS-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C2CC2)C[C@@H]1C ZINC001403746496 1002459688 /nfs/dbraw/zinc/45/96/88/1002459688.db2.gz IWAZITVJNFRXCS-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001420468995 1002461357 /nfs/dbraw/zinc/46/13/57/1002461357.db2.gz MFRJQXYWUFJUCL-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C[C@H]1C ZINC001403754828 1002474953 /nfs/dbraw/zinc/47/49/53/1002474953.db2.gz PXSAUIZFWKCLOB-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001403766703 1002490880 /nfs/dbraw/zinc/49/08/80/1002490880.db2.gz KDXIIIHJNRIDBM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001403766703 1002490886 /nfs/dbraw/zinc/49/08/86/1002490886.db2.gz KDXIIIHJNRIDBM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001420497200 1002502517 /nfs/dbraw/zinc/50/25/17/1002502517.db2.gz AUUFEWYLASNOHV-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001403801154 1002546053 /nfs/dbraw/zinc/54/60/53/1002546053.db2.gz GLDAHORSYJYBNC-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001425380266 1002623446 /nfs/dbraw/zinc/62/34/46/1002623446.db2.gz NKVUKDCKCDNVLJ-DOERSZECSA-N 1 3 306.410 0.590 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001425380266 1002623456 /nfs/dbraw/zinc/62/34/56/1002623456.db2.gz NKVUKDCKCDNVLJ-DOERSZECSA-N 1 3 306.410 0.590 20 0 DCADHO COc1ccc(CNC2CC(N(C)C(=O)CC[NH+](C)C)C2)nn1 ZINC001508133542 1016664606 /nfs/dbraw/zinc/66/46/06/1016664606.db2.gz DCVYZAIXGJCFGP-UHFFFAOYSA-N 1 3 321.425 0.516 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001425562762 1002823305 /nfs/dbraw/zinc/82/33/05/1002823305.db2.gz YUBAKGRLJUPRPO-CYBMUJFWSA-N 1 3 308.430 0.199 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001425608597 1002886249 /nfs/dbraw/zinc/88/62/49/1002886249.db2.gz AOMLHQVYQYAZGF-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO COc1ncc(CN[C@H](C)CN(C)C(=O)CC[NH+](C)C)c(C)n1 ZINC001425631173 1002911562 /nfs/dbraw/zinc/91/15/62/1002911562.db2.gz FFSKJSGWGCGJSR-GFCCVEGCSA-N 1 3 323.441 0.682 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001425667810 1002942807 /nfs/dbraw/zinc/94/28/07/1002942807.db2.gz XSZIWOSBYYSDLI-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)n1 ZINC001425691591 1002962439 /nfs/dbraw/zinc/96/24/39/1002962439.db2.gz GWMHDSJDXAGZQF-CYBMUJFWSA-N 1 3 324.473 0.672 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001405845421 1003136042 /nfs/dbraw/zinc/13/60/42/1003136042.db2.gz BDSVUBLAIUGNLD-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001405885453 1003171152 /nfs/dbraw/zinc/17/11/52/1003171152.db2.gz FMNNWKFINHZJHM-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001405929174 1003202013 /nfs/dbraw/zinc/20/20/13/1003202013.db2.gz NUPPSXSTHLSBGP-UONOGXRCSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001421003167 1003222662 /nfs/dbraw/zinc/22/26/62/1003222662.db2.gz BKVJZQPKAXELLG-HOCLYGCPSA-N 1 3 309.454 0.992 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001425902853 1003244439 /nfs/dbraw/zinc/24/44/39/1003244439.db2.gz CQVXOENPVUEAPJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001425948415 1003277148 /nfs/dbraw/zinc/27/71/48/1003277148.db2.gz GFXKMCUJSRLRGM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C(C)C)N(C)C ZINC001406062507 1003310235 /nfs/dbraw/zinc/31/02/35/1003310235.db2.gz JCCHXNNNHPOKCG-CHWSQXEVSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001426010109 1003332513 /nfs/dbraw/zinc/33/25/13/1003332513.db2.gz NNDGHRVGYPGGNG-KBPBESRZSA-N 1 3 315.458 0.041 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001426033611 1003362330 /nfs/dbraw/zinc/36/23/30/1003362330.db2.gz UCXLFVCRIMFUOL-HOCLYGCPSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001426033611 1003362337 /nfs/dbraw/zinc/36/23/37/1003362337.db2.gz UCXLFVCRIMFUOL-HOCLYGCPSA-N 1 3 320.437 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001421139712 1003372169 /nfs/dbraw/zinc/37/21/69/1003372169.db2.gz MKXPWFSBEFSFRN-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC001421172121 1003402376 /nfs/dbraw/zinc/40/23/76/1003402376.db2.gz MFKAVYIOCXHAFS-YUELXQCFSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001421172121 1003402384 /nfs/dbraw/zinc/40/23/84/1003402384.db2.gz MFKAVYIOCXHAFS-YUELXQCFSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001406183151 1003453396 /nfs/dbraw/zinc/45/33/96/1003453396.db2.gz MPWWMJKPUFFJRU-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC2CC(F)(F)C2)CCC1 ZINC001406253404 1003530265 /nfs/dbraw/zinc/53/02/65/1003530265.db2.gz ZKCLQJJYGJZUAS-GFCCVEGCSA-N 1 3 319.396 0.583 20 0 DCADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C\Cl ZINC001406257543 1003535642 /nfs/dbraw/zinc/53/56/42/1003535642.db2.gz QVZNKGLJTZSKPC-IUEHSCGASA-N 1 3 324.252 0.856 20 0 DCADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNC/C(Cl)=C\Cl ZINC001406257543 1003535652 /nfs/dbraw/zinc/53/56/52/1003535652.db2.gz QVZNKGLJTZSKPC-IUEHSCGASA-N 1 3 324.252 0.856 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406525240 1003789786 /nfs/dbraw/zinc/78/97/86/1003789786.db2.gz YYJLHUZJANEUSR-LBPRGKRZSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001428330472 1003869287 /nfs/dbraw/zinc/86/92/87/1003869287.db2.gz KIQDXGXCWZXHJL-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cncn2C)C2CC2)CC[N@@H+]1C ZINC001406771336 1004078108 /nfs/dbraw/zinc/07/81/08/1004078108.db2.gz KPKRRFWWTWKNOA-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cncn2C)C2CC2)CC[N@H+]1C ZINC001406771336 1004078118 /nfs/dbraw/zinc/07/81/18/1004078118.db2.gz KPKRRFWWTWKNOA-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO CN(C[C@H]1CCN1C(=O)C1(N(C)C)CCC1)C(=O)CC[NH+](C)C ZINC001429052104 1004353956 /nfs/dbraw/zinc/35/39/56/1004353956.db2.gz DSUGTDDRWREKLV-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001407101350 1004383573 /nfs/dbraw/zinc/38/35/73/1004383573.db2.gz YMPJRDCFIHHXLE-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001407108777 1004390564 /nfs/dbraw/zinc/39/05/64/1004390564.db2.gz HQPWREVFDKCQMI-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001407149741 1004421944 /nfs/dbraw/zinc/42/19/44/1004421944.db2.gz RHAQCRIHUJMTBK-CABCVRRESA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001427493907 1004423475 /nfs/dbraw/zinc/42/34/75/1004423475.db2.gz VFWXDQZJTFZYPD-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001407352993 1004576546 /nfs/dbraw/zinc/57/65/46/1004576546.db2.gz PUUSXVPGTIIYMR-GOEBONIOSA-N 1 3 313.442 0.059 20 0 DCADHO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001407352993 1004576547 /nfs/dbraw/zinc/57/65/47/1004576547.db2.gz PUUSXVPGTIIYMR-GOEBONIOSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@H]1CCCN1C ZINC001429653627 1004715995 /nfs/dbraw/zinc/71/59/95/1004715995.db2.gz ZNTLIPGMLINPTK-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001408072170 1005018222 /nfs/dbraw/zinc/01/82/22/1005018222.db2.gz OUXOEZUBRPCJDU-LJISPDSOSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001408072170 1005018230 /nfs/dbraw/zinc/01/82/30/1005018230.db2.gz OUXOEZUBRPCJDU-LJISPDSOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC001408094146 1005036911 /nfs/dbraw/zinc/03/69/11/1005036911.db2.gz BEXFWBIEKJSRSF-JSGCOSHPSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001408098185 1005039661 /nfs/dbraw/zinc/03/96/61/1005039661.db2.gz CMSDRIYOEPPKPL-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001414780588 1005400943 /nfs/dbraw/zinc/40/09/43/1005400943.db2.gz FTMUJPMAUWEAKY-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001414780588 1005400946 /nfs/dbraw/zinc/40/09/46/1005400946.db2.gz FTMUJPMAUWEAKY-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001415219763 1005483406 /nfs/dbraw/zinc/48/34/06/1005483406.db2.gz UFBGFVRYKYTKNW-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001415330515 1005503940 /nfs/dbraw/zinc/50/39/40/1005503940.db2.gz YLINXDXTKMILLJ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001415861425 1005625861 /nfs/dbraw/zinc/62/58/61/1005625861.db2.gz RLWUYZVVUIWFNF-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001415861425 1005625863 /nfs/dbraw/zinc/62/58/63/1005625863.db2.gz RLWUYZVVUIWFNF-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001416107887 1005661888 /nfs/dbraw/zinc/66/18/88/1005661888.db2.gz NUDYWPQDWSTNOS-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001416107887 1005661889 /nfs/dbraw/zinc/66/18/89/1005661889.db2.gz NUDYWPQDWSTNOS-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001417277481 1005815207 /nfs/dbraw/zinc/81/52/07/1005815207.db2.gz BKFCYYOOLOZZIV-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO CN(CC(=O)N[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001417329191 1005821779 /nfs/dbraw/zinc/82/17/79/1005821779.db2.gz OEULZQFWRTZULS-KRWDZBQOSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1nncc1CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001417994527 1005950076 /nfs/dbraw/zinc/95/00/76/1005950076.db2.gz MUYFIFREHZCGPL-HNNXBMFYSA-N 1 3 320.441 0.141 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001418041408 1005970295 /nfs/dbraw/zinc/97/02/95/1005970295.db2.gz LAFICJRVFRMNPL-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001418064872 1005996363 /nfs/dbraw/zinc/99/63/63/1005996363.db2.gz RMOSYBORAULENK-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438717547 1006065700 /nfs/dbraw/zinc/06/57/00/1006065700.db2.gz WFJFJHVIQYZOGY-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438717543 1006066297 /nfs/dbraw/zinc/06/62/97/1006066297.db2.gz WFJFJHVIQYZOGY-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001436361763 1006143947 /nfs/dbraw/zinc/14/39/47/1006143947.db2.gz XUYAIUQKRPEMGQ-KFWWJZLASA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001436401838 1006167111 /nfs/dbraw/zinc/16/71/11/1006167111.db2.gz RYXCBADPSPPMIL-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001451437959 1006172332 /nfs/dbraw/zinc/17/23/32/1006172332.db2.gz CANWJBYHJXZECJ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001436474398 1006204160 /nfs/dbraw/zinc/20/41/60/1006204160.db2.gz HHDZAHFJDGVDKZ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001436474398 1006204167 /nfs/dbraw/zinc/20/41/67/1006204167.db2.gz HHDZAHFJDGVDKZ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001418232136 1006212981 /nfs/dbraw/zinc/21/29/81/1006212981.db2.gz BZPCJYPFXXUBAD-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001418241387 1006233743 /nfs/dbraw/zinc/23/37/43/1006233743.db2.gz CWSFYROXQGBYPB-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001418241387 1006233753 /nfs/dbraw/zinc/23/37/53/1006233753.db2.gz CWSFYROXQGBYPB-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)N(C)C)C1 ZINC001438942705 1006253955 /nfs/dbraw/zinc/25/39/55/1006253955.db2.gz AHLJQKCDINHNJI-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)N(C)C)C1 ZINC001438942705 1006253964 /nfs/dbraw/zinc/25/39/64/1006253964.db2.gz AHLJQKCDINHNJI-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001438954836 1006264916 /nfs/dbraw/zinc/26/49/16/1006264916.db2.gz UXNIMSZVDCUGQO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001418268847 1006275648 /nfs/dbraw/zinc/27/56/48/1006275648.db2.gz OWMRBJOZVKBGQA-NWDGAFQWSA-N 1 3 310.442 0.090 20 0 DCADHO CN1CC[C@H](N[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)C1=O ZINC001436818336 1006386855 /nfs/dbraw/zinc/38/68/55/1006386855.db2.gz WXQOQOYEYOWUSR-UONOGXRCSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1)C(=O)NC1CC1 ZINC001436950629 1006476347 /nfs/dbraw/zinc/47/63/47/1006476347.db2.gz DTLLJYAPUBTHDC-FPMFFAJLSA-N 1 3 322.453 0.375 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCCN1CCn1cccn1 ZINC001437033719 1006543214 /nfs/dbraw/zinc/54/32/14/1006543214.db2.gz FLTJFYAXLMUUGR-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001439181101 1006548167 /nfs/dbraw/zinc/54/81/67/1006548167.db2.gz AIJOKKMYUZRFGT-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCO)C1 ZINC001437057899 1006556018 /nfs/dbraw/zinc/55/60/18/1006556018.db2.gz CWCHWHANLLQVTD-JSGCOSHPSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCCO)C1 ZINC001437057899 1006556026 /nfs/dbraw/zinc/55/60/26/1006556026.db2.gz CWCHWHANLLQVTD-JSGCOSHPSA-N 1 3 308.426 0.860 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)CC ZINC001439212580 1006586116 /nfs/dbraw/zinc/58/61/16/1006586116.db2.gz HGHNZDHYRLZGTH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)CC ZINC001439212580 1006586126 /nfs/dbraw/zinc/58/61/26/1006586126.db2.gz HGHNZDHYRLZGTH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001437203959 1006703272 /nfs/dbraw/zinc/70/32/72/1006703272.db2.gz UJFMGDYCZUZJLY-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccnc(N(C)C)c1 ZINC001437261590 1006779042 /nfs/dbraw/zinc/77/90/42/1006779042.db2.gz OIAOAMLUMCWBOQ-DZGCQCFKSA-N 1 3 319.453 0.694 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccnc(N(C)C)c1 ZINC001437261590 1006779053 /nfs/dbraw/zinc/77/90/53/1006779053.db2.gz OIAOAMLUMCWBOQ-DZGCQCFKSA-N 1 3 319.453 0.694 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437311277 1006827817 /nfs/dbraw/zinc/82/78/17/1006827817.db2.gz PJWMMZXYCBICNI-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001437316875 1006837486 /nfs/dbraw/zinc/83/74/86/1006837486.db2.gz YLBDZAVLGPFVLD-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001437324954 1006843160 /nfs/dbraw/zinc/84/31/60/1006843160.db2.gz KOUIYQYQHJVEIA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001439491119 1006921387 /nfs/dbraw/zinc/92/13/87/1006921387.db2.gz SEVUCBVQZGXBTO-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1)[NH+](C)C ZINC001439618040 1007080672 /nfs/dbraw/zinc/08/06/72/1007080672.db2.gz HNNPGQJBPUCSKG-STQMWFEESA-N 1 3 312.458 0.288 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001439816166 1007218513 /nfs/dbraw/zinc/21/85/13/1007218513.db2.gz NJDLDVAWGNYIAN-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001437725930 1007316524 /nfs/dbraw/zinc/31/65/24/1007316524.db2.gz KHYVVTDUDPYSIM-HZPDHXFCSA-N 1 3 319.453 0.663 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001437725930 1007316538 /nfs/dbraw/zinc/31/65/38/1007316538.db2.gz KHYVVTDUDPYSIM-HZPDHXFCSA-N 1 3 319.453 0.663 20 0 DCADHO C[C@@H](O)CN1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001439967695 1007333230 /nfs/dbraw/zinc/33/32/30/1007333230.db2.gz HHWVADUUPBBGPB-CHWSQXEVSA-N 1 3 321.412 0.782 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001439968938 1007342838 /nfs/dbraw/zinc/34/28/38/1007342838.db2.gz OWIQFZVFKYRGOU-UHFFFAOYSA-N 1 3 323.441 0.127 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001437853361 1007467533 /nfs/dbraw/zinc/46/75/33/1007467533.db2.gz YVAMMXTUTSNTNS-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001437853361 1007467535 /nfs/dbraw/zinc/46/75/35/1007467535.db2.gz YVAMMXTUTSNTNS-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440112756 1007498279 /nfs/dbraw/zinc/49/82/79/1007498279.db2.gz KGUADJLEGASPHJ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@]2(CO)CCCN(CCCF)C2)CC1 ZINC001440176880 1007550049 /nfs/dbraw/zinc/55/00/49/1007550049.db2.gz BKMDJWDTBWGGPK-MRXNPFEDSA-N 1 3 315.433 0.631 20 0 DCADHO C[C@H](N[C@@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1)C(N)=O ZINC001440223020 1007591388 /nfs/dbraw/zinc/59/13/88/1007591388.db2.gz NPRUNMBRTKENEJ-STQMWFEESA-N 1 3 320.437 0.779 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001440283939 1007643279 /nfs/dbraw/zinc/64/32/79/1007643279.db2.gz PWOIZBXBMKFVKE-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@H](C)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001440350248 1007686373 /nfs/dbraw/zinc/68/63/73/1007686373.db2.gz DAQKZMZHXXAUEA-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001440350248 1007686378 /nfs/dbraw/zinc/68/63/78/1007686378.db2.gz DAQKZMZHXXAUEA-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001438312995 1007812201 /nfs/dbraw/zinc/81/22/01/1007812201.db2.gz PKJAFJUTWFRBIL-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC(C)(C)C ZINC001440588010 1007903108 /nfs/dbraw/zinc/90/31/08/1007903108.db2.gz IQJQHJKYLBAXAJ-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001441351005 1008329773 /nfs/dbraw/zinc/32/97/73/1008329773.db2.gz QGAMGJRNMPGFCA-CRWXNKLISA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001441351005 1008329778 /nfs/dbraw/zinc/32/97/78/1008329778.db2.gz QGAMGJRNMPGFCA-CRWXNKLISA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001441351011 1008329834 /nfs/dbraw/zinc/32/98/34/1008329834.db2.gz QGAMGJRNMPGFCA-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001441351011 1008329836 /nfs/dbraw/zinc/32/98/36/1008329836.db2.gz QGAMGJRNMPGFCA-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001441365409 1008333616 /nfs/dbraw/zinc/33/36/16/1008333616.db2.gz NAUYROYGKBQOCE-LXTVHRRPSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001453559370 1008579549 /nfs/dbraw/zinc/57/95/49/1008579549.db2.gz ZTOVIYQBSVQYOV-ZNMIVQPWSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001453559370 1008579561 /nfs/dbraw/zinc/57/95/61/1008579561.db2.gz ZTOVIYQBSVQYOV-ZNMIVQPWSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001441940383 1008683333 /nfs/dbraw/zinc/68/33/33/1008683333.db2.gz PAUMPLULLYGITC-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1nncc1CNC[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001421564110 1008734744 /nfs/dbraw/zinc/73/47/44/1008734744.db2.gz UJPWPIDLSKMLJK-OAHLLOKOSA-N 1 3 308.430 0.141 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N[C@H]2CCCNC2=O)CC1 ZINC001441997239 1008777322 /nfs/dbraw/zinc/77/73/22/1008777322.db2.gz OTBLBMJOIPIAJO-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO COC[C@@H](C)N1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001421611738 1008797291 /nfs/dbraw/zinc/79/72/91/1008797291.db2.gz IOYLESZJCBNUPX-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001454182935 1008982947 /nfs/dbraw/zinc/98/29/47/1008982947.db2.gz YWYVNNNMRHKMPP-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001454182935 1008982957 /nfs/dbraw/zinc/98/29/57/1008982957.db2.gz YWYVNNNMRHKMPP-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001442207559 1009094277 /nfs/dbraw/zinc/09/42/77/1009094277.db2.gz CHKBMMUJMLWZAD-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001442207559 1009094290 /nfs/dbraw/zinc/09/42/90/1009094290.db2.gz CHKBMMUJMLWZAD-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001421909430 1009248084 /nfs/dbraw/zinc/24/80/84/1009248084.db2.gz WAXGPPSEUFBEON-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001433953247 1009393454 /nfs/dbraw/zinc/39/34/54/1009393454.db2.gz LRZNYQVCTKHPLM-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(CNC[C@@H](CC(C)C)NC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001422020648 1009407085 /nfs/dbraw/zinc/40/70/85/1009407085.db2.gz ZMEKENJSEGHTMX-ZIAGYGMSSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNC[C@@H](CC(C)C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001422020648 1009407092 /nfs/dbraw/zinc/40/70/92/1009407092.db2.gz ZMEKENJSEGHTMX-ZIAGYGMSSA-N 1 3 322.457 0.685 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001422047406 1009433515 /nfs/dbraw/zinc/43/35/15/1009433515.db2.gz YFVRNXKCCDCKAF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1CCn1cncn1 ZINC001422118387 1009508915 /nfs/dbraw/zinc/50/89/15/1009508915.db2.gz CRJFNWBSUGSLMD-KBPBESRZSA-N 1 3 308.430 0.199 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001434089736 1009549036 /nfs/dbraw/zinc/54/90/36/1009549036.db2.gz ILMPTGXCJPHLGF-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001434089736 1009549046 /nfs/dbraw/zinc/54/90/46/1009549046.db2.gz ILMPTGXCJPHLGF-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1(CO)CC[NH+](CC(C)C)CC1 ZINC001422191551 1009628839 /nfs/dbraw/zinc/62/88/39/1009628839.db2.gz GAHCBSHAJGPDPJ-UHFFFAOYSA-N 1 3 308.426 0.860 20 0 DCADHO CC(C)NC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001422242257 1009697541 /nfs/dbraw/zinc/69/75/41/1009697541.db2.gz DQZVVAFUYYZGCD-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001434461628 1009979333 /nfs/dbraw/zinc/97/93/33/1009979333.db2.gz XYUMZPKXJZLATK-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C[C@H]3CCNC(=O)CC3)CC2)C1 ZINC001434461628 1009979338 /nfs/dbraw/zinc/97/93/38/1009979338.db2.gz XYUMZPKXJZLATK-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001443104227 1010144000 /nfs/dbraw/zinc/14/40/00/1010144000.db2.gz UUHJKLPVVVTJSQ-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001443150173 1010175862 /nfs/dbraw/zinc/17/58/62/1010175862.db2.gz VSCJLGJQDZYZAQ-QWHCGFSZSA-N 1 3 312.458 0.417 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001422549537 1010279390 /nfs/dbraw/zinc/27/93/90/1010279390.db2.gz KIBTWOOTEUCARD-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1=O)N(C)C ZINC001422552337 1010284919 /nfs/dbraw/zinc/28/49/19/1010284919.db2.gz GHAHDRLONJMLRF-MCIONIFRSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C(=O)Cc1c[nH]cn1 ZINC001508883564 1017089923 /nfs/dbraw/zinc/08/99/23/1017089923.db2.gz DASKHTWEJTVFNK-OUCADQQQSA-N 1 3 321.425 0.256 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)Cc1c[nH]cn1 ZINC001508883564 1017089934 /nfs/dbraw/zinc/08/99/34/1017089934.db2.gz DASKHTWEJTVFNK-OUCADQQQSA-N 1 3 321.425 0.256 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(N)=O ZINC001506477436 1017306779 /nfs/dbraw/zinc/30/67/79/1017306779.db2.gz BYAPWGYTOMJZDM-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001422879220 1010697220 /nfs/dbraw/zinc/69/72/20/1010697220.db2.gz POMDECHVQUZDEC-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001444002632 1010796956 /nfs/dbraw/zinc/79/69/56/1010796956.db2.gz VFEFJJJLGRAFTJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NCC ZINC001423064769 1010857017 /nfs/dbraw/zinc/85/70/17/1010857017.db2.gz WOAIDUXFEPMFID-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NCC ZINC001423064769 1010857024 /nfs/dbraw/zinc/85/70/24/1010857024.db2.gz WOAIDUXFEPMFID-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)N(C)C ZINC001423145822 1010924945 /nfs/dbraw/zinc/92/49/45/1010924945.db2.gz JMRBXDMHDAMSMR-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)N(C)C ZINC001423145822 1010924949 /nfs/dbraw/zinc/92/49/49/1010924949.db2.gz JMRBXDMHDAMSMR-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423153050 1010928412 /nfs/dbraw/zinc/92/84/12/1010928412.db2.gz QIJGMVQYPINQSK-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423152101 1010928524 /nfs/dbraw/zinc/92/85/24/1010928524.db2.gz PBUJEKLCLCAJAF-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001444710583 1011142497 /nfs/dbraw/zinc/14/24/97/1011142497.db2.gz RBAWBHOXRSGZQE-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001444710583 1011142499 /nfs/dbraw/zinc/14/24/99/1011142499.db2.gz RBAWBHOXRSGZQE-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)N(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001444710563 1011142993 /nfs/dbraw/zinc/14/29/93/1011142993.db2.gz RBAWBHOXRSGZQE-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)N(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001444710563 1011142996 /nfs/dbraw/zinc/14/29/96/1011142996.db2.gz RBAWBHOXRSGZQE-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1C ZINC001423446383 1011155037 /nfs/dbraw/zinc/15/50/37/1011155037.db2.gz AVYBVQSNMUNJSV-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CN(C[C@H](O)C[NH2+]CC1CC(F)(F)C1)C(=O)Cc1c[nH]cn1 ZINC001423471224 1011172026 /nfs/dbraw/zinc/17/20/26/1011172026.db2.gz VZMLSNRHOVLPRA-GFCCVEGCSA-N 1 3 316.352 0.406 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001423475997 1011174612 /nfs/dbraw/zinc/17/46/12/1011174612.db2.gz WQPHFSKUMVPUKC-GOEBONIOSA-N 1 3 320.437 0.332 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001444825800 1011181814 /nfs/dbraw/zinc/18/18/14/1011181814.db2.gz KGKHYVAGOCTMEJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nncc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001423640728 1011380606 /nfs/dbraw/zinc/38/06/06/1011380606.db2.gz VPBATLHPHUWESF-HOCLYGCPSA-N 1 3 320.441 0.238 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001456674162 1011390337 /nfs/dbraw/zinc/39/03/37/1011390337.db2.gz YBYCHUDSKBMOOA-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001445390962 1011719219 /nfs/dbraw/zinc/71/92/19/1011719219.db2.gz RLDIDARICKFXEB-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001445390962 1011719230 /nfs/dbraw/zinc/71/92/30/1011719230.db2.gz RLDIDARICKFXEB-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001445390963 1011719519 /nfs/dbraw/zinc/71/95/19/1011719519.db2.gz RLDIDARICKFXEB-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001445390963 1011719536 /nfs/dbraw/zinc/71/95/36/1011719536.db2.gz RLDIDARICKFXEB-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](NC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001445392540 1011720806 /nfs/dbraw/zinc/72/08/06/1011720806.db2.gz DETQOJJTUQENPB-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423923354 1011739787 /nfs/dbraw/zinc/73/97/87/1011739787.db2.gz JCUYHFUAXVVCMA-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001445427783 1011758269 /nfs/dbraw/zinc/75/82/69/1011758269.db2.gz POYMFVCZMCNIRF-FRRDWIJNSA-N 1 3 300.447 0.144 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001445556774 1011922738 /nfs/dbraw/zinc/92/27/38/1011922738.db2.gz FGQODXFFRIYZJO-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001432074258 1011938422 /nfs/dbraw/zinc/93/84/22/1011938422.db2.gz OGPUUBNCTZUFCE-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001432074258 1011938431 /nfs/dbraw/zinc/93/84/31/1011938431.db2.gz OGPUUBNCTZUFCE-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001424082599 1011968149 /nfs/dbraw/zinc/96/81/49/1011968149.db2.gz KGIYIQSWLRWRBH-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCC[C@H](NC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553439609 1011975218 /nfs/dbraw/zinc/97/52/18/1011975218.db2.gz UTMNAFWQWWIPNN-KBPBESRZSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553444244 1011981429 /nfs/dbraw/zinc/98/14/29/1011981429.db2.gz KSOJHIFEZRERNA-KQTLUZQSSA-N 1 3 308.426 0.291 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001445596018 1011981491 /nfs/dbraw/zinc/98/14/91/1011981491.db2.gz ZYBSKYIVWLFNLV-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3CNCCO3)C[C@@H]2C1 ZINC001553508684 1012051596 /nfs/dbraw/zinc/05/15/96/1012051596.db2.gz YTMVLRHCKJYFLY-LXTVHRRPSA-N 1 3 310.442 0.347 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553513194 1012058936 /nfs/dbraw/zinc/05/89/36/1012058936.db2.gz GAWJGRQRNPFNOX-AJNGGQMLSA-N 1 3 310.442 0.368 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001536315686 1012073649 /nfs/dbraw/zinc/07/36/49/1012073649.db2.gz IHTPNJJOUGWVCL-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001536315686 1012073668 /nfs/dbraw/zinc/07/36/68/1012073668.db2.gz IHTPNJJOUGWVCL-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CCC1([NH3+])CCN(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001553531469 1012083335 /nfs/dbraw/zinc/08/33/35/1012083335.db2.gz SITIFASJWRSOCU-HUUCEWRRSA-N 1 3 324.469 0.841 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)N1CC[C@H]3[C@H]1CCCN3CCO)C2 ZINC001553550404 1012098160 /nfs/dbraw/zinc/09/81/60/1012098160.db2.gz BVBOSAURRPPINI-SCTLLLDMSA-N 1 3 322.453 0.497 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553551022 1012102027 /nfs/dbraw/zinc/10/20/27/1012102027.db2.gz QLSSKEQAOCFPHR-XUWVNRHRSA-N 1 3 324.469 0.745 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001445889585 1012399088 /nfs/dbraw/zinc/39/90/88/1012399088.db2.gz DOCOMVUKIPOTBE-ZFWWWQNUSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001424476819 1012553219 /nfs/dbraw/zinc/55/32/19/1012553219.db2.gz DGOOCDWUKOXFOH-HIFRSBDPSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001424491373 1012573476 /nfs/dbraw/zinc/57/34/76/1012573476.db2.gz LJSPFZQGQYVISG-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO NC(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001446452163 1012807222 /nfs/dbraw/zinc/80/72/22/1012807222.db2.gz MHDUBZUFTXLYCC-HNNXBMFYSA-N 1 3 322.453 0.174 20 0 DCADHO Cc1ncoc1CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001446750982 1012946633 /nfs/dbraw/zinc/94/66/33/1012946633.db2.gz YHYQZBFKKHMOMI-CZUORRHYSA-N 1 3 322.409 0.130 20 0 DCADHO Cc1ncoc1CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001446750982 1012946646 /nfs/dbraw/zinc/94/66/46/1012946646.db2.gz YHYQZBFKKHMOMI-CZUORRHYSA-N 1 3 322.409 0.130 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC001506860117 1017622135 /nfs/dbraw/zinc/62/21/35/1017622135.db2.gz VLXHXXKEAGXEKR-BFHYXJOUSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2C1 ZINC001506860117 1017622143 /nfs/dbraw/zinc/62/21/43/1017622143.db2.gz VLXHXXKEAGXEKR-BFHYXJOUSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001479770923 1017730313 /nfs/dbraw/zinc/73/03/13/1017730313.db2.gz ALAILSKMKRXPTO-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001479770923 1017730327 /nfs/dbraw/zinc/73/03/27/1017730327.db2.gz ALAILSKMKRXPTO-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](CC[NH2+]CCn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001497207413 1017970620 /nfs/dbraw/zinc/97/06/20/1017970620.db2.gz YGDXAOSQDPUGMZ-CQSZACIVSA-N 1 3 307.442 0.852 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)Nc1ccon1)NC(=O)[C@H]1CCCN1C ZINC001497242562 1017990629 /nfs/dbraw/zinc/99/06/29/1017990629.db2.gz YNBATOVUFLDYIE-NWDGAFQWSA-N 1 3 323.397 0.192 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C[C@@H]1C ZINC001499851805 1018104273 /nfs/dbraw/zinc/10/42/73/1018104273.db2.gz BIKUPZCSTDGPNZ-UONOGXRCSA-N 1 3 322.457 0.626 20 0 DCADHO COCCN1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001494854945 1018106743 /nfs/dbraw/zinc/10/67/43/1018106743.db2.gz BXLBCWQCIFVISZ-AWEZNQCLSA-N 1 3 313.442 0.276 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001499950717 1018149602 /nfs/dbraw/zinc/14/96/02/1018149602.db2.gz KSLJMDDKEOSZKF-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCN(C)C1=O ZINC001480084235 1018191791 /nfs/dbraw/zinc/19/17/91/1018191791.db2.gz JUTZEDVDNWBEFW-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)NC1CC1 ZINC001494983964 1018205924 /nfs/dbraw/zinc/20/59/24/1018205924.db2.gz ZITCOZAKGICXND-AEGPPILISA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)NC1CC1 ZINC001494983964 1018205936 /nfs/dbraw/zinc/20/59/36/1018205936.db2.gz ZITCOZAKGICXND-AEGPPILISA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001500122442 1018235560 /nfs/dbraw/zinc/23/55/60/1018235560.db2.gz DODCOMQINAUKSG-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001500122442 1018235568 /nfs/dbraw/zinc/23/55/68/1018235568.db2.gz DODCOMQINAUKSG-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NCC1CC1 ZINC001495050480 1018269077 /nfs/dbraw/zinc/26/90/77/1018269077.db2.gz OXVSOXAFMKGOHO-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001495110459 1018321846 /nfs/dbraw/zinc/32/18/46/1018321846.db2.gz XPGVKXVCBYYJBG-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001497828899 1018453386 /nfs/dbraw/zinc/45/33/86/1018453386.db2.gz CJBRBDSXFLJGFH-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497831199 1018456489 /nfs/dbraw/zinc/45/64/89/1018456489.db2.gz GIQCQHGPVLEYQT-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497831199 1018456495 /nfs/dbraw/zinc/45/64/95/1018456495.db2.gz GIQCQHGPVLEYQT-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCO)CCOCC1)CC(C)(C)C ZINC001500586579 1018504263 /nfs/dbraw/zinc/50/42/63/1018504263.db2.gz AVKRJAKWFDMVSN-UHFFFAOYSA-N 1 3 315.458 0.212 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCC(NC(=O)Cc2nc[nH]c2C)CC1 ZINC001480411300 1018506630 /nfs/dbraw/zinc/50/66/30/1018506630.db2.gz HPHPEAMUFWWVDW-JXQTWKCFSA-N 1 3 324.425 0.285 20 0 DCADHO CC[C@H]([NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001480460632 1018554776 /nfs/dbraw/zinc/55/47/76/1018554776.db2.gz ADPMHABKCDOOCH-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001497991049 1018566870 /nfs/dbraw/zinc/56/68/70/1018566870.db2.gz SHAUFPMKKBVYQA-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)[NH+]1CCCC1 ZINC001497993660 1018570141 /nfs/dbraw/zinc/57/01/41/1018570141.db2.gz SAJROFQYLMTHIR-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(=O)N1CCC1 ZINC001495720536 1018667261 /nfs/dbraw/zinc/66/72/61/1018667261.db2.gz SVOBNYVIDDMKHK-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(=O)N1CCC1 ZINC001495720537 1018667503 /nfs/dbraw/zinc/66/75/03/1018667503.db2.gz SVOBNYVIDDMKHK-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO COc1ncc(CN[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001480590386 1018685781 /nfs/dbraw/zinc/68/57/81/1018685781.db2.gz LWOYPCCLKWHAFX-YPMHNXCESA-N 1 3 321.425 0.340 20 0 DCADHO COc1ncc(CN[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001480590386 1018685785 /nfs/dbraw/zinc/68/57/85/1018685785.db2.gz LWOYPCCLKWHAFX-YPMHNXCESA-N 1 3 321.425 0.340 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001498203293 1018750048 /nfs/dbraw/zinc/75/00/48/1018750048.db2.gz OXLXGBXHTRQSKV-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501161513 1018928347 /nfs/dbraw/zinc/92/83/47/1018928347.db2.gz JNAFFRYRCDPKNN-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501161513 1018928356 /nfs/dbraw/zinc/92/83/56/1018928356.db2.gz JNAFFRYRCDPKNN-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001480825453 1018949646 /nfs/dbraw/zinc/94/96/46/1018949646.db2.gz AEQOKXQRIQEQLX-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001480825453 1018949663 /nfs/dbraw/zinc/94/96/63/1018949663.db2.gz AEQOKXQRIQEQLX-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN(C)C[C@H]1CCc2ncnn21)NC(=O)CCC[NH+](C)C ZINC001498370671 1019018364 /nfs/dbraw/zinc/01/83/64/1019018364.db2.gz YFBUYMBNVBJLCZ-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001496095699 1019060040 /nfs/dbraw/zinc/06/00/40/1019060040.db2.gz QAUJEKQJHMYMFH-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1)N(C)C ZINC001498421457 1019102049 /nfs/dbraw/zinc/10/20/49/1019102049.db2.gz GFAOTIKIDPQEAK-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1)N(C)C ZINC001498421457 1019102052 /nfs/dbraw/zinc/10/20/52/1019102052.db2.gz GFAOTIKIDPQEAK-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCn1cc(CC[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)cn1 ZINC001496170993 1019129850 /nfs/dbraw/zinc/12/98/50/1019129850.db2.gz QDIGGOJDSSCKNE-ZDUSSCGKSA-N 1 3 318.425 0.848 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)N(C)C ZINC001496195388 1019155166 /nfs/dbraw/zinc/15/51/66/1019155166.db2.gz MQXLABRCLNBYKE-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)N(C)C ZINC001496195388 1019155172 /nfs/dbraw/zinc/15/51/72/1019155172.db2.gz MQXLABRCLNBYKE-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CCN(C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001496230586 1019179779 /nfs/dbraw/zinc/17/97/79/1019179779.db2.gz ZEJBDIBMAOCJQH-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001496230586 1019179786 /nfs/dbraw/zinc/17/97/86/1019179786.db2.gz ZEJBDIBMAOCJQH-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)N(CCO)CC[NH2+]Cc2cccnc2)CCC1 ZINC001501462274 1019201986 /nfs/dbraw/zinc/20/19/86/1019201986.db2.gz PLFPIFVPNUVIPD-UHFFFAOYSA-N 1 3 320.437 0.476 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)cn1 ZINC001493231952 1019224426 /nfs/dbraw/zinc/22/44/26/1019224426.db2.gz YWBMFMYWYOSLGX-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCc2cnn(C)c2)CCC1 ZINC001498559663 1019226684 /nfs/dbraw/zinc/22/66/84/1019226684.db2.gz MATMCWYXCYXIJM-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001496563402 1019416424 /nfs/dbraw/zinc/41/64/24/1019416424.db2.gz XVYSSQRQRJVJSM-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001496564912 1019420195 /nfs/dbraw/zinc/42/01/95/1019420195.db2.gz GGYGJVZMUYSFEE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001496564912 1019420203 /nfs/dbraw/zinc/42/02/03/1019420203.db2.gz GGYGJVZMUYSFEE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001501864630 1019526545 /nfs/dbraw/zinc/52/65/45/1019526545.db2.gz JBRLVVPDIRYIJC-RDFMZFSFSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001501864630 1019526559 /nfs/dbraw/zinc/52/65/59/1019526559.db2.gz JBRLVVPDIRYIJC-RDFMZFSFSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001493699747 1019644006 /nfs/dbraw/zinc/64/40/06/1019644006.db2.gz DIIRBMPFAXZRED-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001502077264 1019688842 /nfs/dbraw/zinc/68/88/42/1019688842.db2.gz SATMRUWTXXXVTF-UONOGXRCSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O)N1CCCC1 ZINC001496897737 1019743962 /nfs/dbraw/zinc/74/39/62/1019743962.db2.gz GQOKJZOSPZFDDH-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(CCNC(=O)C2CC2)CC1 ZINC001502136025 1019751946 /nfs/dbraw/zinc/75/19/46/1019751946.db2.gz WJSWJIXUHDLSLR-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502136177 1019755193 /nfs/dbraw/zinc/75/51/93/1019755193.db2.gz ZNSUMDQZMZTJDJ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](C)O ZINC000665764072 546396745 /nfs/dbraw/zinc/39/67/45/546396745.db2.gz TWYZQHATZRXOGT-BFHYXJOUSA-N 1 3 302.463 0.717 20 0 DCADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](C)O ZINC000665764072 546396749 /nfs/dbraw/zinc/39/67/49/546396749.db2.gz TWYZQHATZRXOGT-BFHYXJOUSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](C)(O)C1 ZINC000665761819 546396972 /nfs/dbraw/zinc/39/69/72/546396972.db2.gz QVDZQCFYRLMRMQ-DZGCQCFKSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](C)(O)C1 ZINC000665761819 546396974 /nfs/dbraw/zinc/39/69/74/546396974.db2.gz QVDZQCFYRLMRMQ-DZGCQCFKSA-N 1 3 300.447 0.425 20 0 DCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000236889178 202054281 /nfs/dbraw/zinc/05/42/81/202054281.db2.gz ARXOVCMKVTUCLQ-HIFRSBDPSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCCO1 ZINC000414183038 299283681 /nfs/dbraw/zinc/28/36/81/299283681.db2.gz DPGUYQIJCMPHBB-JKSUJKDBSA-N 1 3 311.470 0.940 20 0 DCADHO CC[N@H+](CCCC1CCN([C@@H](C)C(N)=O)CC1)[C@@H](C)C(N)=O ZINC000154667539 291215126 /nfs/dbraw/zinc/21/51/26/291215126.db2.gz NGRYVHAQAIJHNZ-STQMWFEESA-N 1 3 312.458 0.548 20 0 DCADHO CC[N@@H+](CCCC1CCN([C@@H](C)C(N)=O)CC1)[C@@H](C)C(N)=O ZINC000154667539 291215128 /nfs/dbraw/zinc/21/51/28/291215128.db2.gz NGRYVHAQAIJHNZ-STQMWFEESA-N 1 3 312.458 0.548 20 0 DCADHO CCn1ccnc1CN(C(=O)CNC)[C@@H]1CC12CC[NH2+]CC2 ZINC000566248382 291287489 /nfs/dbraw/zinc/28/74/89/291287489.db2.gz BIVWQQAOHNKXAC-CYBMUJFWSA-N 1 3 305.426 0.593 20 0 DCADHO CN(C)CCn1ccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000566462930 291304694 /nfs/dbraw/zinc/30/46/94/291304694.db2.gz YRCXIPVELYREMH-INIZCTEOSA-N 1 3 305.426 0.613 20 0 DCADHO CN(C)CCn1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000566462930 291304697 /nfs/dbraw/zinc/30/46/97/291304697.db2.gz YRCXIPVELYREMH-INIZCTEOSA-N 1 3 305.426 0.613 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566507892 291310234 /nfs/dbraw/zinc/31/02/34/291310234.db2.gz COCJYILAZUMKDX-LSDHHAIUSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H](CN)C1 ZINC000420330919 240022380 /nfs/dbraw/zinc/02/23/80/240022380.db2.gz ILMQTJRGNGLCFX-UWVGGRQHSA-N 1 3 324.347 0.824 20 0 DCADHO C[C@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H](CN)C1 ZINC000420330919 240022390 /nfs/dbraw/zinc/02/23/90/240022390.db2.gz ILMQTJRGNGLCFX-UWVGGRQHSA-N 1 3 324.347 0.824 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424080591 240253573 /nfs/dbraw/zinc/25/35/73/240253573.db2.gz ULOWOYJVJQYIBO-DOMZBBRYSA-N 1 3 304.394 0.003 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000567097083 291336895 /nfs/dbraw/zinc/33/68/95/291336895.db2.gz SNCWEAUPUSJIGC-OAHLLOKOSA-N 1 3 313.490 0.557 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567407834 291354042 /nfs/dbraw/zinc/35/40/42/291354042.db2.gz LJQDPSFXDWLDNF-HIFRSBDPSA-N 1 3 316.405 0.132 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000567736073 291374084 /nfs/dbraw/zinc/37/40/84/291374084.db2.gz GEUVJDKBHQQIEO-IRXDYDNUSA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001646550093 1172420257 /nfs/dbraw/zinc/42/02/57/1172420257.db2.gz XINVHVDQWHFPSL-QLFBSQMISA-N 1 3 312.458 0.600 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333617258 252744968 /nfs/dbraw/zinc/74/49/68/252744968.db2.gz YWGMVLCAJCQZTD-ZIAGYGMSSA-N 1 3 310.442 0.394 20 0 DCADHO COCCN(C)CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000339319377 253061502 /nfs/dbraw/zinc/06/15/02/253061502.db2.gz DSJKTKXGGVODJI-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000339428719 253082899 /nfs/dbraw/zinc/08/28/99/253082899.db2.gz KRPPDCHMEMKTFJ-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CC[N@H+]2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000339428719 253082901 /nfs/dbraw/zinc/08/29/01/253082901.db2.gz KRPPDCHMEMKTFJ-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339428719 253082902 /nfs/dbraw/zinc/08/29/02/253082902.db2.gz KRPPDCHMEMKTFJ-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339428719 253082904 /nfs/dbraw/zinc/08/29/04/253082904.db2.gz KRPPDCHMEMKTFJ-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CCOC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339659437 253122028 /nfs/dbraw/zinc/12/20/28/253122028.db2.gz RFLUXLRCCFYVIL-QXULXFAOSA-N 1 3 300.443 0.957 20 0 DCADHO CCOC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339659437 253122030 /nfs/dbraw/zinc/12/20/30/253122030.db2.gz RFLUXLRCCFYVIL-QXULXFAOSA-N 1 3 300.443 0.957 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340485073 253264252 /nfs/dbraw/zinc/26/42/52/253264252.db2.gz QNKDISXTRAMEIH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340485073 253264253 /nfs/dbraw/zinc/26/42/53/253264253.db2.gz QNKDISXTRAMEIH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341202575 253355690 /nfs/dbraw/zinc/35/56/90/253355690.db2.gz NBZNYOGVJPPYMY-KGLIPLIRSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341202575 253355692 /nfs/dbraw/zinc/35/56/92/253355692.db2.gz NBZNYOGVJPPYMY-KGLIPLIRSA-N 1 3 300.447 0.689 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000346404897 254047377 /nfs/dbraw/zinc/04/73/77/254047377.db2.gz BNQIPDCCOMZUHA-CVEARBPZSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000346404897 254047379 /nfs/dbraw/zinc/04/73/79/254047379.db2.gz BNQIPDCCOMZUHA-CVEARBPZSA-N 1 3 310.486 0.813 20 0 DCADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000346961068 254118316 /nfs/dbraw/zinc/11/83/16/254118316.db2.gz LBBFODDFOBEWSV-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CC(=O)Nc1ccccc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347029631 254122995 /nfs/dbraw/zinc/12/29/95/254122995.db2.gz XBFMNYFSZBVXPR-OAHLLOKOSA-N 1 3 318.421 0.932 20 0 DCADHO CNC(=O)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347086168 254128069 /nfs/dbraw/zinc/12/80/69/254128069.db2.gz BSDDPZLUGMFIIQ-OAHLLOKOSA-N 1 3 318.421 0.333 20 0 DCADHO C[C@H]([NH3+])C1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000347222944 254139947 /nfs/dbraw/zinc/13/99/47/254139947.db2.gz UOVSJLZRHPGVHS-AWEZNQCLSA-N 1 3 318.469 0.788 20 0 DCADHO C[C@@H](CC(N)=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347282274 254144668 /nfs/dbraw/zinc/14/46/68/254144668.db2.gz ZICYCHOZDBPVQW-ZFWWWQNUSA-N 1 3 320.437 0.129 20 0 DCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C[C@H]3CSCCN3)cc2C1 ZINC000349057371 254271834 /nfs/dbraw/zinc/27/18/34/254271834.db2.gz NIICSSCAWOQXPD-YPMHNXCESA-N 1 3 306.435 0.931 20 0 DCADHO CC[NH+](CC)CCCNC(=O)NCC1CCN(CCO)CC1 ZINC000349798752 254297669 /nfs/dbraw/zinc/29/76/69/254297669.db2.gz HASQPQBXRPPBAQ-UHFFFAOYSA-N 1 3 314.474 0.722 20 0 DCADHO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCCN2C)CC1 ZINC000350055099 254308637 /nfs/dbraw/zinc/30/86/37/254308637.db2.gz ZYGMZSKMBBLCGD-CQSZACIVSA-N 1 3 311.426 0.472 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351687848 254359092 /nfs/dbraw/zinc/35/90/92/254359092.db2.gz WRDRLTXCNOWMEJ-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262322610 285234090 /nfs/dbraw/zinc/23/40/90/285234090.db2.gz RMSOPFZOJCTQGY-OAHLLOKOSA-N 1 3 319.453 0.905 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@H+](C)CCOC ZINC000173987464 285257560 /nfs/dbraw/zinc/25/75/60/285257560.db2.gz QOJOWOULUJDTGX-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+](C)CCOC ZINC000173987464 285257564 /nfs/dbraw/zinc/25/75/64/285257564.db2.gz QOJOWOULUJDTGX-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419986093 285269720 /nfs/dbraw/zinc/26/97/20/285269720.db2.gz XEPVYIGILHSNAQ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)CN1 ZINC000417833425 262263335 /nfs/dbraw/zinc/26/33/35/262263335.db2.gz RTNVNMDUBWRSGJ-YRGRVCCFSA-N 1 3 300.472 0.816 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000108565360 395792165 /nfs/dbraw/zinc/79/21/65/395792165.db2.gz RXIVVRKTPAIJMQ-MRXNPFEDSA-N 1 3 324.469 0.881 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000108565360 395792167 /nfs/dbraw/zinc/79/21/67/395792167.db2.gz RXIVVRKTPAIJMQ-MRXNPFEDSA-N 1 3 324.469 0.881 20 0 DCADHO CCN(C)CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000246549656 395952829 /nfs/dbraw/zinc/95/28/29/395952829.db2.gz YFZPPQDYRDLVPP-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)CCNC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000246549656 395952830 /nfs/dbraw/zinc/95/28/30/395952830.db2.gz YFZPPQDYRDLVPP-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H](C)O1 ZINC000261671946 396054919 /nfs/dbraw/zinc/05/49/19/396054919.db2.gz GJLBMUGAOAVMBJ-TUVASFSCSA-N 1 3 313.442 0.498 20 0 DCADHO CC[C@@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000152874921 396017003 /nfs/dbraw/zinc/01/70/03/396017003.db2.gz LCUVWPZECMVUMA-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)S(C)(=O)=O ZINC000262157952 396105574 /nfs/dbraw/zinc/10/55/74/396105574.db2.gz GPETVEJPGUHGJQ-YUTCNCBUSA-N 1 3 310.419 0.620 20 0 DCADHO COCCN(C)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171199490 396109973 /nfs/dbraw/zinc/10/99/73/396109973.db2.gz LRVVBXQXPHPEOB-UHFFFAOYSA-N 1 3 312.458 0.738 20 0 DCADHO CN(C(=O)C1C[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000262207355 396110448 /nfs/dbraw/zinc/11/04/48/396110448.db2.gz IIGKODFDNHYMBN-UHFFFAOYSA-N 1 3 302.422 0.766 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000171201172 396111326 /nfs/dbraw/zinc/11/13/26/396111326.db2.gz IKLWYZRZFGYHRM-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000171201172 396111328 /nfs/dbraw/zinc/11/13/28/396111328.db2.gz IKLWYZRZFGYHRM-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO CN(C)[C@]1(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCSC1 ZINC000278942618 396142551 /nfs/dbraw/zinc/14/25/51/396142551.db2.gz GIUPGSXFSLKEGJ-NHYWBVRUSA-N 1 3 323.466 0.654 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1=O ZINC000073290351 396143986 /nfs/dbraw/zinc/14/39/86/396143986.db2.gz ZBNZKCFKCKIOGN-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)CC2CC[NH+](C)CC2)CC1=O ZINC000073385311 396144901 /nfs/dbraw/zinc/14/49/01/396144901.db2.gz FBKLNDKYZJHPEN-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000074267263 396162388 /nfs/dbraw/zinc/16/23/88/396162388.db2.gz UILKYFLPGSYPHJ-HOCLYGCPSA-N 1 3 324.469 0.975 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000079205220 396262506 /nfs/dbraw/zinc/26/25/06/396262506.db2.gz OLGYVLJSSXOCST-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO CC[C@@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265719835 396339021 /nfs/dbraw/zinc/33/90/21/396339021.db2.gz YQWCCZQBXGQJKE-NKYSGAOISA-N 1 3 310.442 0.233 20 0 DCADHO CC[C@@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265719835 396339022 /nfs/dbraw/zinc/33/90/22/396339022.db2.gz YQWCCZQBXGQJKE-NKYSGAOISA-N 1 3 310.442 0.233 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H](C)O1 ZINC000188733932 396384837 /nfs/dbraw/zinc/38/48/37/396384837.db2.gz KAXKFXVRDXSVEJ-YIYPIFLZSA-N 1 3 301.406 0.692 20 0 DCADHO C[NH+](C)C1(CNC(=O)C[C@@H]2CNCCO2)Cc2ccccc2C1 ZINC000269273672 396402462 /nfs/dbraw/zinc/40/24/62/396402462.db2.gz VFHUBLQGMJFYEF-MRXNPFEDSA-N 1 3 317.433 0.580 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000187924101 396376505 /nfs/dbraw/zinc/37/65/05/396376505.db2.gz JNUFHKOCXZXRSR-APIJFGDWSA-N 1 3 313.442 0.369 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000500181750 396495632 /nfs/dbraw/zinc/49/56/32/396495632.db2.gz JXRWBVBYJBIFSW-QEJZJMRPSA-N 1 3 312.458 0.614 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1(C)C ZINC000580194060 396493047 /nfs/dbraw/zinc/49/30/47/396493047.db2.gz PWOJLZSTCGZODT-LNLATYFQSA-N 1 3 311.348 0.915 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000581139733 396529345 /nfs/dbraw/zinc/52/93/45/396529345.db2.gz GAUKSCWDFZPYAJ-JYJNAYRXSA-N 1 3 310.442 0.705 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000581139733 396529347 /nfs/dbraw/zinc/52/93/47/396529347.db2.gz GAUKSCWDFZPYAJ-JYJNAYRXSA-N 1 3 310.442 0.705 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000581313671 396544609 /nfs/dbraw/zinc/54/46/09/396544609.db2.gz OFGSYNSXARPFOP-STQMWFEESA-N 1 3 303.410 0.770 20 0 DCADHO NC(=O)NC(=O)CCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581424721 396553070 /nfs/dbraw/zinc/55/30/70/396553070.db2.gz DJYMSEDJDQQSHS-AWEZNQCLSA-N 1 3 304.394 0.683 20 0 DCADHO NC(=O)NC(=O)CCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581424721 396553072 /nfs/dbraw/zinc/55/30/72/396553072.db2.gz DJYMSEDJDQQSHS-AWEZNQCLSA-N 1 3 304.394 0.683 20 0 DCADHO COC[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000581543363 396563346 /nfs/dbraw/zinc/56/33/46/396563346.db2.gz DDYVUQXBJQIFSJ-QGZVFWFLSA-N 1 3 308.422 0.740 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000581934112 396594304 /nfs/dbraw/zinc/59/43/04/396594304.db2.gz NXSQBIGIXIGKPD-UONOGXRCSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000584839017 396628430 /nfs/dbraw/zinc/62/84/30/396628430.db2.gz CLWKREISYCWADY-IHRRRGAJSA-N 1 3 310.442 0.315 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000562821077 396682435 /nfs/dbraw/zinc/68/24/35/396682435.db2.gz VQPVOUVUXDGZQN-AWEZNQCLSA-N 1 3 311.474 0.311 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000303981263 396726743 /nfs/dbraw/zinc/72/67/43/396726743.db2.gz FRIHKSINVKCURI-UXLLHSPISA-N 1 3 313.486 0.873 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000563644875 396765923 /nfs/dbraw/zinc/76/59/23/396765923.db2.gz RDIPIWQUZOARGU-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000629792743 396835311 /nfs/dbraw/zinc/83/53/11/396835311.db2.gz ZUDAYVPKGAXNHR-AWEZNQCLSA-N 1 3 310.442 0.271 20 0 DCADHO O=C(NC[C@@H]1CCCN(CC2=CCCOC2)C1)[C@H]1CCC[NH2+]1 ZINC000629647424 396815184 /nfs/dbraw/zinc/81/51/84/396815184.db2.gz UOAZRNKQASSKNF-GOEBONIOSA-N 1 3 307.438 0.913 20 0 DCADHO CN1CCN(C[C@@H](O)CN[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000564844272 396879775 /nfs/dbraw/zinc/87/97/75/396879775.db2.gz GWGFPOVQJTUPPD-RDJZCZTQSA-N 1 3 310.486 0.201 20 0 DCADHO CN1CCN(C[C@@H](O)CN[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000564844272 396879788 /nfs/dbraw/zinc/87/97/88/396879788.db2.gz GWGFPOVQJTUPPD-RDJZCZTQSA-N 1 3 310.486 0.201 20 0 DCADHO CN1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(C3CCCC3)C2)CC1 ZINC000564844272 396879795 /nfs/dbraw/zinc/87/97/95/396879795.db2.gz GWGFPOVQJTUPPD-RDJZCZTQSA-N 1 3 310.486 0.201 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332137558 396881041 /nfs/dbraw/zinc/88/10/41/396881041.db2.gz DHTXVYQASOUIFX-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCOC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000564852977 396882456 /nfs/dbraw/zinc/88/24/56/396882456.db2.gz WFHVFWJSDWHDOZ-OAGGEKHMSA-N 1 3 300.443 0.741 20 0 DCADHO CCOC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000564852977 396882459 /nfs/dbraw/zinc/88/24/59/396882459.db2.gz WFHVFWJSDWHDOZ-OAGGEKHMSA-N 1 3 300.443 0.741 20 0 DCADHO CN(CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCC1 ZINC000629961421 396896396 /nfs/dbraw/zinc/89/63/96/396896396.db2.gz LXDCDOVKIXLKQU-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CN(CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CCC1 ZINC000629961421 396896403 /nfs/dbraw/zinc/89/64/03/396896403.db2.gz LXDCDOVKIXLKQU-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1=O ZINC000634761277 396909205 /nfs/dbraw/zinc/90/92/05/396909205.db2.gz XHZYJQKONOTSNL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000333341145 396923114 /nfs/dbraw/zinc/92/31/14/396923114.db2.gz YAMPTLVTTNWMKB-HOTGVXAUSA-N 1 3 308.470 0.742 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000333341145 396923116 /nfs/dbraw/zinc/92/31/16/396923116.db2.gz YAMPTLVTTNWMKB-HOTGVXAUSA-N 1 3 308.470 0.742 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H](C)[NH2+]C ZINC000571461323 396954684 /nfs/dbraw/zinc/95/46/84/396954684.db2.gz IAUMSUUYIBLALZ-KBPBESRZSA-N 1 3 313.442 0.860 20 0 DCADHO CC(C)(C)[C@H](CO)NCC1(C[NH2+][C@@H](CO)C(C)(C)C)COC1 ZINC000571863275 396994703 /nfs/dbraw/zinc/99/47/03/396994703.db2.gz KNTSHPNEDRGEKJ-KBPBESRZSA-N 1 3 316.486 0.996 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377529341 397095370 /nfs/dbraw/zinc/09/53/70/397095370.db2.gz BRSLXDVGEJEDRP-HOTGVXAUSA-N 1 3 302.422 0.063 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000592145750 397103189 /nfs/dbraw/zinc/10/31/89/397103189.db2.gz ZFBIOCSFDYRLML-UONOGXRCSA-N 1 3 314.499 0.305 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000592145750 397103195 /nfs/dbraw/zinc/10/31/95/397103195.db2.gz ZFBIOCSFDYRLML-UONOGXRCSA-N 1 3 314.499 0.305 20 0 DCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000351537084 397127508 /nfs/dbraw/zinc/12/75/08/397127508.db2.gz HZVWAQNPAJIANQ-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377931697 397165721 /nfs/dbraw/zinc/16/57/21/397165721.db2.gz KWLOOYMCYUUKQH-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377931697 397165725 /nfs/dbraw/zinc/16/57/25/397165725.db2.gz KWLOOYMCYUUKQH-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000377935149 397167631 /nfs/dbraw/zinc/16/76/31/397167631.db2.gz DCBDLWLOEZBIDJ-MRXNPFEDSA-N 1 3 320.481 0.853 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630840787 397115595 /nfs/dbraw/zinc/11/55/95/397115595.db2.gz DTPYMGWPDNYOSL-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630840787 397115599 /nfs/dbraw/zinc/11/55/99/397115599.db2.gz DTPYMGWPDNYOSL-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)CC1 ZINC000573958159 397223412 /nfs/dbraw/zinc/22/34/12/397223412.db2.gz NYTSINMAJBTVTC-DZKIICNBSA-N 1 3 309.454 0.680 20 0 DCADHO O[C@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)Cn1cccn1 ZINC000574567223 397279916 /nfs/dbraw/zinc/27/99/16/397279916.db2.gz YAIGNUSKUSCWHX-IKGGRYGDSA-N 1 3 322.453 0.602 20 0 DCADHO CN(CCOCC[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000626921479 397289010 /nfs/dbraw/zinc/28/90/10/397289010.db2.gz BLBSHQUUUBYCGN-MRXNPFEDSA-N 1 3 320.437 0.878 20 0 DCADHO COCCNCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389931381 397298106 /nfs/dbraw/zinc/29/81/06/397298106.db2.gz LCNUQHLKQOVYOG-GDBMZVCRSA-N 1 3 305.422 0.859 20 0 DCADHO COCCNCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389931381 397298109 /nfs/dbraw/zinc/29/81/09/397298109.db2.gz LCNUQHLKQOVYOG-GDBMZVCRSA-N 1 3 305.422 0.859 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389962393 397298386 /nfs/dbraw/zinc/29/83/86/397298386.db2.gz WHPXCTXMHKBMSA-VNQPRFMTSA-N 1 3 305.422 0.987 20 0 DCADHO COCCNCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389931384 397298414 /nfs/dbraw/zinc/29/84/14/397298414.db2.gz LCNUQHLKQOVYOG-ZBFHGGJFSA-N 1 3 305.422 0.859 20 0 DCADHO COCCNCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389931384 397298420 /nfs/dbraw/zinc/29/84/20/397298420.db2.gz LCNUQHLKQOVYOG-ZBFHGGJFSA-N 1 3 305.422 0.859 20 0 DCADHO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1C1CC1 ZINC000593323240 397351946 /nfs/dbraw/zinc/35/19/46/397351946.db2.gz RMSLZUKNADVJMY-VHDGCEQUSA-N 1 3 323.437 0.315 20 0 DCADHO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1C1CC1 ZINC000593323240 397351951 /nfs/dbraw/zinc/35/19/51/397351951.db2.gz RMSLZUKNADVJMY-VHDGCEQUSA-N 1 3 323.437 0.315 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419770595 397381629 /nfs/dbraw/zinc/38/16/29/397381629.db2.gz FTOQPLRCZVRUFU-GUYCJALGSA-N 1 3 324.469 0.420 20 0 DCADHO CCn1ncnc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365837530 397323211 /nfs/dbraw/zinc/32/32/11/397323211.db2.gz LSAJFZWEFZMZAZ-HNNXBMFYSA-N 1 3 306.458 0.898 20 0 DCADHO CO[C@@H]1CCN(CCCN2CCN(C(C)C)CC2)[C@@H](C[NH3+])C1 ZINC000578323982 397420399 /nfs/dbraw/zinc/42/03/99/397420399.db2.gz ASMXGZPVRBRRRS-IAGOWNOFSA-N 1 3 312.502 0.841 20 0 DCADHO CNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593739119 397436332 /nfs/dbraw/zinc/43/63/32/397436332.db2.gz WVKZUIMWZFXHLU-ZDEQEGDKSA-N 1 3 312.414 0.049 20 0 DCADHO CC1CCN(CCNC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471642771 397450447 /nfs/dbraw/zinc/45/04/47/397450447.db2.gz DSGVMUAZOPMNGP-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)CCOCCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000471648741 397451767 /nfs/dbraw/zinc/45/17/67/397451767.db2.gz WGTRQSROLXYJJK-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CN(C)CCOCCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000471648741 397451769 /nfs/dbraw/zinc/45/17/69/397451769.db2.gz WGTRQSROLXYJJK-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000578314324 397418195 /nfs/dbraw/zinc/41/81/95/397418195.db2.gz MPLBHSRUGPDXGE-KFWWJZLASA-N 1 3 322.453 0.282 20 0 DCADHO CC1CCN(CC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000370593214 397506148 /nfs/dbraw/zinc/50/61/48/397506148.db2.gz KHQSQGVSUKAWDW-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC1CCN(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000370593214 397506151 /nfs/dbraw/zinc/50/61/51/397506151.db2.gz KHQSQGVSUKAWDW-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CSC1(CNC(=O)N(C)CCOCC[NH3+])CCN(C)CC1 ZINC000599923535 397541819 /nfs/dbraw/zinc/54/18/19/397541819.db2.gz JTLFWPIJJQGNCM-UHFFFAOYSA-N 1 3 318.487 0.431 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366257660 292336088 /nfs/dbraw/zinc/33/60/88/292336088.db2.gz FVUUAJKCLXPNMS-MRXNPFEDSA-N 1 3 312.458 0.692 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366257660 292336092 /nfs/dbraw/zinc/33/60/92/292336092.db2.gz FVUUAJKCLXPNMS-MRXNPFEDSA-N 1 3 312.458 0.692 20 0 DCADHO CC[C@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000134591999 287017517 /nfs/dbraw/zinc/01/75/17/287017517.db2.gz QTZLFTXAQRBUEZ-RHSMWYFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000246537246 287085160 /nfs/dbraw/zinc/08/51/60/287085160.db2.gz XJMSIKVRRIGUHU-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC000248941554 287103917 /nfs/dbraw/zinc/10/39/17/287103917.db2.gz CSGJOJKJQHYUGR-ZACQAIPSSA-N 1 3 324.469 0.971 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cn2cccn2)[C@H](C)C1 ZINC000248941554 287103919 /nfs/dbraw/zinc/10/39/19/287103919.db2.gz CSGJOJKJQHYUGR-ZACQAIPSSA-N 1 3 324.469 0.971 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000303999440 287142308 /nfs/dbraw/zinc/14/23/08/287142308.db2.gz QLAJLCWGTANJDI-JKSUJKDBSA-N 1 3 300.443 0.959 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418353051 287245727 /nfs/dbraw/zinc/24/57/27/287245727.db2.gz VLCWCBUJRWAFGP-KBPBESRZSA-N 1 3 300.447 0.594 20 0 DCADHO COCC1(CNC(=O)N(C)CCN(C)C2CC2)CC[NH2+]CC1 ZINC000418635164 287251862 /nfs/dbraw/zinc/25/18/62/287251862.db2.gz DBKDXUCJCILRSX-UHFFFAOYSA-N 1 3 312.458 0.738 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418953529 287257149 /nfs/dbraw/zinc/25/71/49/287257149.db2.gz WKQPMBBWROUHND-XJKSGUPXSA-N 1 3 312.458 0.339 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCCNCC2)CC1 ZINC000418993084 287259573 /nfs/dbraw/zinc/25/95/73/287259573.db2.gz GOEPBALVQLSOOU-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCC[NH3+] ZINC000419020852 287261526 /nfs/dbraw/zinc/26/15/26/287261526.db2.gz GFBJKQXWUOCSIJ-MJBXVCDLSA-N 1 3 312.458 0.324 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000419046150 287263722 /nfs/dbraw/zinc/26/37/22/287263722.db2.gz PACXBRTYDLTCTI-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419227558 287276116 /nfs/dbraw/zinc/27/61/16/287276116.db2.gz KVQSNSRGKBKDRK-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO O=C(CN1CCCC1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420310355 287289229 /nfs/dbraw/zinc/28/92/29/287289229.db2.gz FXIQGRUOQUOFPZ-MRXNPFEDSA-N 1 3 308.470 0.616 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335035 287291163 /nfs/dbraw/zinc/29/11/63/287291163.db2.gz HDDDQHABQBWION-WCVJEAGWSA-N 1 3 309.454 0.992 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331588644 415142696 /nfs/dbraw/zinc/14/26/96/415142696.db2.gz XZUWIYYQIMEPRK-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331588644 415142701 /nfs/dbraw/zinc/14/27/01/415142701.db2.gz XZUWIYYQIMEPRK-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO Cn1c(CN(CCC[NH3+])CC2CCCC2)cc(=O)n(C)c1=O ZINC000352476218 415192326 /nfs/dbraw/zinc/19/23/26/415192326.db2.gz HJYODENPWSQQDL-UHFFFAOYSA-N 1 3 308.426 0.425 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000342712907 415264024 /nfs/dbraw/zinc/26/40/24/415264024.db2.gz AZPQLEBTOUGNPY-UONOGXRCSA-N 1 3 313.442 0.894 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000342724769 415270706 /nfs/dbraw/zinc/27/07/06/415270706.db2.gz HHPXCXYFYZEXRH-RBSFLKMASA-N 1 3 322.453 0.045 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000332332841 415350572 /nfs/dbraw/zinc/35/05/72/415350572.db2.gz RDYBUNKMMMZVDY-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000332252772 415314791 /nfs/dbraw/zinc/31/47/91/415314791.db2.gz SRCSJHAHFSCOCY-BYNSBNAKSA-N 1 3 322.453 0.267 20 0 DCADHO CCOCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758775 415320176 /nfs/dbraw/zinc/32/01/76/415320176.db2.gz KARXHHXRLMJGMT-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332595561 415423753 /nfs/dbraw/zinc/42/37/53/415423753.db2.gz HNMBZIGGGDDJLT-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000332382867 415372629 /nfs/dbraw/zinc/37/26/29/415372629.db2.gz VGXUCNYBGIDDDP-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000343134536 415468434 /nfs/dbraw/zinc/46/84/34/415468434.db2.gz CZQWRSCTUOVVHK-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000343134536 415468439 /nfs/dbraw/zinc/46/84/39/415468439.db2.gz CZQWRSCTUOVVHK-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C1CC1 ZINC000343283287 415527884 /nfs/dbraw/zinc/52/78/84/415527884.db2.gz APRBVSFVSSJYBX-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C1CC1 ZINC000343283287 415527892 /nfs/dbraw/zinc/52/78/92/415527892.db2.gz APRBVSFVSSJYBX-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000353518264 415576093 /nfs/dbraw/zinc/57/60/93/415576093.db2.gz NLSLQIOAXJHMCP-PMPSAXMXSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333144870 415568814 /nfs/dbraw/zinc/56/88/14/415568814.db2.gz DMQOTJRONBBULE-VNQPRFMTSA-N 1 3 321.469 0.158 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]1 ZINC000333156324 415571745 /nfs/dbraw/zinc/57/17/45/415571745.db2.gz FSOWBONAYRYTLC-YRGRVCCFSA-N 1 3 300.472 0.863 20 0 DCADHO C[C@H](NCC1CCN(S(C)(=O)=O)CC1)[C@H]1CCCC[NH2+]1 ZINC000333344547 415615962 /nfs/dbraw/zinc/61/59/62/415615962.db2.gz YWBYDEGRGIAXIJ-GXTWGEPZSA-N 1 3 303.472 0.778 20 0 DCADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCN1 ZINC000333386582 415630949 /nfs/dbraw/zinc/63/09/49/415630949.db2.gz OFCZQKOUFLWOPF-CABCVRRESA-N 1 3 324.469 0.758 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333414794 415641651 /nfs/dbraw/zinc/64/16/51/415641651.db2.gz RSEXMDOBRWQJKD-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106557321 415643605 /nfs/dbraw/zinc/64/36/05/415643605.db2.gz FYZOANXFCUTRJF-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106557321 415643612 /nfs/dbraw/zinc/64/36/12/415643612.db2.gz FYZOANXFCUTRJF-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343767336 415717293 /nfs/dbraw/zinc/71/72/93/415717293.db2.gz HOQRNCSINVQDAB-AVOUXACISA-N 1 3 307.438 0.601 20 0 DCADHO CC(C)C[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)N(C)C ZINC000343769972 415720407 /nfs/dbraw/zinc/72/04/07/415720407.db2.gz RXOAMQWYUNVXIJ-DKUMPPAJSA-N 1 3 309.454 0.894 20 0 DCADHO CCN1CC[C@H](N(C)C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)[C@H](C)C1 ZINC000343776998 415724839 /nfs/dbraw/zinc/72/48/39/415724839.db2.gz WRDLJNKBQBASLT-SDKNFDLMSA-N 1 3 321.465 0.990 20 0 DCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333933038 415767939 /nfs/dbraw/zinc/76/79/39/415767939.db2.gz HKVHWWVSUCIPOE-CQSZACIVSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333933038 415767943 /nfs/dbraw/zinc/76/79/43/415767943.db2.gz HKVHWWVSUCIPOE-CQSZACIVSA-N 1 3 324.469 0.881 20 0 DCADHO CO[C@H](CN)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290164076 415772037 /nfs/dbraw/zinc/77/20/37/415772037.db2.gz OEUOMLGHNZZOPH-HZPDHXFCSA-N 1 3 305.422 0.941 20 0 DCADHO CO[C@H](CN)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290164076 415772042 /nfs/dbraw/zinc/77/20/42/415772042.db2.gz OEUOMLGHNZZOPH-HZPDHXFCSA-N 1 3 305.422 0.941 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336855718 415839158 /nfs/dbraw/zinc/83/91/58/415839158.db2.gz IXOQEUPVAPOFAQ-XJKSGUPXSA-N 1 3 309.454 0.774 20 0 DCADHO CN(C)c1ncc(CN(C)CCCN(C)CC[NH+](C)C)cn1 ZINC000290250049 415781601 /nfs/dbraw/zinc/78/16/01/415781601.db2.gz VQEQDRDJSMOKCK-UHFFFAOYSA-N 1 3 308.474 0.858 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343992491 415810912 /nfs/dbraw/zinc/81/09/12/415810912.db2.gz URXHKGOJZYCAMN-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343992491 415810918 /nfs/dbraw/zinc/81/09/18/415810918.db2.gz URXHKGOJZYCAMN-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000121983552 415821507 /nfs/dbraw/zinc/82/15/07/415821507.db2.gz IGUAOTQDZWLEPR-MGPQQGTHSA-N 1 3 324.469 0.467 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)OC ZINC000125590136 415866474 /nfs/dbraw/zinc/86/64/74/415866474.db2.gz LXOIEEAKDSSAOQ-ZDUSSCGKSA-N 1 3 314.430 0.217 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)OC ZINC000125590136 415866481 /nfs/dbraw/zinc/86/64/81/415866481.db2.gz LXOIEEAKDSSAOQ-ZDUSSCGKSA-N 1 3 314.430 0.217 20 0 DCADHO CN1CC=C(C[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC000344341518 415892063 /nfs/dbraw/zinc/89/20/63/415892063.db2.gz ZTEDGCSLYRWGPE-UHFFFAOYSA-N 1 3 322.497 0.635 20 0 DCADHO CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CCCN1C ZINC000356605412 415959897 /nfs/dbraw/zinc/95/98/97/415959897.db2.gz LIBVJRBBLLLGGO-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000337470258 415966597 /nfs/dbraw/zinc/96/65/97/415966597.db2.gz UWWOQCMCYKQGDA-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000296555832 415932194 /nfs/dbraw/zinc/93/21/94/415932194.db2.gz UWQGAUOSBUTJOY-KBPBESRZSA-N 1 3 303.410 0.818 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCN1C ZINC000345239180 416066143 /nfs/dbraw/zinc/06/61/43/416066143.db2.gz NFMCNLSJWUIOJX-OLZOCXBDSA-N 1 3 308.430 1.049 20 0 DCADHO COCCN(C)CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000357035500 416023267 /nfs/dbraw/zinc/02/32/67/416023267.db2.gz FQGKRFONLHUQLZ-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CCCC[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338027408 416034559 /nfs/dbraw/zinc/03/45/59/416034559.db2.gz BXUPYYMRVZAAER-MNOVXSKESA-N 1 3 310.364 0.456 20 0 DCADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[C@H]1c1cccs1 ZINC000357921535 416153371 /nfs/dbraw/zinc/15/33/71/416153371.db2.gz MPYWOYRDRMYVRI-CXTNEJHOSA-N 1 3 323.462 0.970 20 0 DCADHO CNCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000178765080 416172804 /nfs/dbraw/zinc/17/28/04/416172804.db2.gz LFLYNHZUNLVMAV-OAHLLOKOSA-N 1 3 318.421 0.220 20 0 DCADHO CNCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000178765080 416172807 /nfs/dbraw/zinc/17/28/07/416172807.db2.gz LFLYNHZUNLVMAV-OAHLLOKOSA-N 1 3 318.421 0.220 20 0 DCADHO COCCN(C)CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185623896 416254816 /nfs/dbraw/zinc/25/48/16/416254816.db2.gz XNFSVLLYXNRMIV-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CC[N@H+](C)CCNC(=O)NCc1ccncc1OCCN(C)C ZINC000358576889 416256465 /nfs/dbraw/zinc/25/64/65/416256465.db2.gz BWWDWTXGTOIEKW-UHFFFAOYSA-N 1 3 323.441 0.773 20 0 DCADHO CC[N@@H+](C)CCNC(=O)NCc1ccncc1OCCN(C)C ZINC000358576889 416256468 /nfs/dbraw/zinc/25/64/68/416256468.db2.gz BWWDWTXGTOIEKW-UHFFFAOYSA-N 1 3 323.441 0.773 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000359258723 416317404 /nfs/dbraw/zinc/31/74/04/416317404.db2.gz FMMZRTJTBUCVHR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000359258723 416317409 /nfs/dbraw/zinc/31/74/09/416317409.db2.gz FMMZRTJTBUCVHR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000359258730 416317521 /nfs/dbraw/zinc/31/75/21/416317521.db2.gz FMMZRTJTBUCVHR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000359258730 416317524 /nfs/dbraw/zinc/31/75/24/416317524.db2.gz FMMZRTJTBUCVHR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C1CC1 ZINC000342070566 416279276 /nfs/dbraw/zinc/27/92/76/416279276.db2.gz FMBDRKISLNDQFL-AGIUHOORSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C1CC1 ZINC000342070566 416279277 /nfs/dbraw/zinc/27/92/77/416279277.db2.gz FMBDRKISLNDQFL-AGIUHOORSA-N 1 3 310.442 0.184 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416002711 416358428 /nfs/dbraw/zinc/35/84/28/416358428.db2.gz FRIZJYPBDMGDLI-SNVBAGLBSA-N 1 3 314.352 0.486 20 0 DCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000359327950 416341728 /nfs/dbraw/zinc/34/17/28/416341728.db2.gz HTZIYISGGMRIOZ-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO Cc1nc(NC2CCN(C)CC2)nc(NC2CC[NH+](C)CC2)n1 ZINC000359332269 416341946 /nfs/dbraw/zinc/34/19/46/416341946.db2.gz RGDUTAKJTKWDLY-UHFFFAOYSA-N 1 3 319.457 1.192 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415500599 416345802 /nfs/dbraw/zinc/34/58/02/416345802.db2.gz SSUVSDYDZATIBW-OAHLLOKOSA-N 1 3 318.421 0.897 20 0 DCADHO Cc1cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)ccc1CN(C)C ZINC000415791052 416354329 /nfs/dbraw/zinc/35/43/29/416354329.db2.gz QHLSNVNBKIWCGG-UHFFFAOYSA-N 1 3 318.421 0.943 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N(C)CCN(C)C)[NH+]1CCCCC1 ZINC000359711712 416354354 /nfs/dbraw/zinc/35/43/54/416354354.db2.gz GCDIWEUCWGXPHX-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000237459180 416328428 /nfs/dbraw/zinc/32/84/28/416328428.db2.gz NPUNLHQZYWHMAJ-GDBMZVCRSA-N 1 3 304.438 0.829 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416002708 416358149 /nfs/dbraw/zinc/35/81/49/416358149.db2.gz FRIZJYPBDMGDLI-JTQLQIEISA-N 1 3 314.352 0.486 20 0 DCADHO CN(C)C1(CNC(=O)CCCC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000416298284 416364051 /nfs/dbraw/zinc/36/40/51/416364051.db2.gz CQYMJPKXEQIDOP-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420125983 416417248 /nfs/dbraw/zinc/41/72/48/416417248.db2.gz QGTUFMCRPYZUAT-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)N1CCN(C)CC1 ZINC000416942046 416379722 /nfs/dbraw/zinc/37/97/22/416379722.db2.gz AUGPCLVLIJGNGU-HUUCEWRRSA-N 1 3 311.474 0.295 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418118426 416385365 /nfs/dbraw/zinc/38/53/65/416385365.db2.gz SXISDBJTHMRGAW-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418382727 416386627 /nfs/dbraw/zinc/38/66/27/416386627.db2.gz YXNFIEKDNYWZRH-CQSZACIVSA-N 1 3 305.426 0.907 20 0 DCADHO N[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000418442371 416386904 /nfs/dbraw/zinc/38/69/04/416386904.db2.gz DQSJUMLTTJOCSI-HOTGVXAUSA-N 1 3 317.437 0.376 20 0 DCADHO CN(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000418831367 416390945 /nfs/dbraw/zinc/39/09/45/416390945.db2.gz GDSDSCOEYLPUJU-CQSZACIVSA-N 1 3 320.437 0.129 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000418958251 416394814 /nfs/dbraw/zinc/39/48/14/416394814.db2.gz GAMKTAYSPIYTCP-HZSPNIEDSA-N 1 3 324.469 0.480 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000419415218 416400914 /nfs/dbraw/zinc/40/09/14/416400914.db2.gz UYYBFBPVFZZGTD-UHFFFAOYSA-N 1 3 310.442 0.032 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419415617 416401586 /nfs/dbraw/zinc/40/15/86/416401586.db2.gz VLTRCMFUTLKVGX-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419689855 416405132 /nfs/dbraw/zinc/40/51/32/416405132.db2.gz CMFRNVUPAJCCCC-CABCVRRESA-N 1 3 324.469 0.467 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419735436 416407758 /nfs/dbraw/zinc/40/77/58/416407758.db2.gz QNADGTHYPDBIDS-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419767298 416409406 /nfs/dbraw/zinc/40/94/06/416409406.db2.gz SOXIDCFUURPMON-ZNMIVQPWSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419763520 416409560 /nfs/dbraw/zinc/40/95/60/416409560.db2.gz ODJHZVWKLNWDOH-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419772761 416410177 /nfs/dbraw/zinc/41/01/77/416410177.db2.gz ZDLAQCXBTKQQLG-KGLIPLIRSA-N 1 3 312.458 0.278 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419784759 416411293 /nfs/dbraw/zinc/41/12/93/416411293.db2.gz XTFATTPTJYXKLH-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434353539 416473780 /nfs/dbraw/zinc/47/37/80/416473780.db2.gz WKXAVOQLNSRKBY-GOEBONIOSA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000422270419 416424265 /nfs/dbraw/zinc/42/42/65/416424265.db2.gz OLKIIPJKOVBUMK-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)CN2CCCCC2)no1 ZINC000582241429 416450781 /nfs/dbraw/zinc/45/07/81/416450781.db2.gz RERNZWRSZDFCJW-CYBMUJFWSA-N 1 3 310.398 0.748 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[N@H+](C)C1CC1 ZINC000458292830 416452514 /nfs/dbraw/zinc/45/25/14/416452514.db2.gz OHBQHSUARCCZMM-ZFWWWQNUSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[N@@H+](C)C1CC1 ZINC000458292830 416452520 /nfs/dbraw/zinc/45/25/20/416452520.db2.gz OHBQHSUARCCZMM-ZFWWWQNUSA-N 1 3 312.458 0.615 20 0 DCADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)CN1CCCCC1 ZINC000422975791 416455705 /nfs/dbraw/zinc/45/57/05/416455705.db2.gz UEAPRXUNMJWKKI-QBPKDAKJSA-N 1 3 311.470 0.580 20 0 DCADHO C[C@H]1CN(CC2(C[N@H+]3C[C@H](CO)[C@H](C)C3)COC2)C[C@@H]1CO ZINC000362089082 416559162 /nfs/dbraw/zinc/55/91/62/416559162.db2.gz RVGMFTUUFJUMPM-QKPAOTATSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1CN(CC2(C[N@@H+]3C[C@H](CO)[C@H](C)C3)COC2)C[C@@H]1CO ZINC000362089082 416559168 /nfs/dbraw/zinc/55/91/68/416559168.db2.gz RVGMFTUUFJUMPM-QKPAOTATSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1C[N@@H+](CC2(CN3C[C@H](CO)[C@H](C)C3)COC2)C[C@@H]1CO ZINC000362089082 416559172 /nfs/dbraw/zinc/55/91/72/416559172.db2.gz RVGMFTUUFJUMPM-QKPAOTATSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1C[N@H+](CC2(CN3C[C@H](CO)[C@H](C)C3)COC2)C[C@@H]1CO ZINC000362089082 416559179 /nfs/dbraw/zinc/55/91/79/416559179.db2.gz RVGMFTUUFJUMPM-QKPAOTATSA-N 1 3 312.454 0.123 20 0 DCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)CCCN1CCC([NH3+])CC1 ZINC000423767672 416562734 /nfs/dbraw/zinc/56/27/34/416562734.db2.gz CJHRHFDVXNMGCI-INIZCTEOSA-N 1 3 310.486 0.988 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000423370631 416499464 /nfs/dbraw/zinc/49/94/64/416499464.db2.gz HBKWPOBWMSZXGQ-HNNXBMFYSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000423427740 416509577 /nfs/dbraw/zinc/50/95/77/416509577.db2.gz JOYHENYXJHKWDV-HUUCEWRRSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[NH+](C)C ZINC000459043855 416519324 /nfs/dbraw/zinc/51/93/24/416519324.db2.gz QWRQVWPMYSRLLS-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000364853479 416594060 /nfs/dbraw/zinc/59/40/60/416594060.db2.gz YXRYDXKQDUMWQO-JKSUJKDBSA-N 1 3 308.470 0.755 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCC[NH2+]C)CC1=O ZINC000424015763 416604201 /nfs/dbraw/zinc/60/42/01/416604201.db2.gz AEOADYSAKRMSKR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000514795823 416676930 /nfs/dbraw/zinc/67/69/30/416676930.db2.gz FDLBBECHQOXDLY-CYBMUJFWSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000514795823 416676934 /nfs/dbraw/zinc/67/69/34/416676934.db2.gz FDLBBECHQOXDLY-CYBMUJFWSA-N 1 3 305.426 0.659 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424137249 416616597 /nfs/dbraw/zinc/61/65/97/416616597.db2.gz BVRRZYJNYKQNCT-MCIONIFRSA-N 1 3 318.425 0.511 20 0 DCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC000424157142 416619818 /nfs/dbraw/zinc/61/98/18/416619818.db2.gz QSBSOORQPOTURR-SJORKVTESA-N 1 3 316.449 0.788 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCSC1 ZINC000424460311 416647677 /nfs/dbraw/zinc/64/76/77/416647677.db2.gz JEIKFSLKOVRUSA-YRGRVCCFSA-N 1 3 300.472 0.993 20 0 DCADHO CN1CC[NH+](CC2(C)CCN([C@@H]3CCCN(C)C3=O)CC2)CC1 ZINC000544491255 416654673 /nfs/dbraw/zinc/65/46/73/416654673.db2.gz YTVJIYRRRQIRPE-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000516875446 416752049 /nfs/dbraw/zinc/75/20/49/416752049.db2.gz QNLRHJCHDXEDES-DLBZAZTESA-N 1 3 312.502 0.399 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000516875446 416752071 /nfs/dbraw/zinc/75/20/71/416752071.db2.gz QNLRHJCHDXEDES-DLBZAZTESA-N 1 3 312.502 0.399 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCCN2CCCC2=O)C1 ZINC000443077147 416730635 /nfs/dbraw/zinc/73/06/35/416730635.db2.gz UEGWVZZLDVAWQX-AWEZNQCLSA-N 1 3 310.442 0.176 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCc2ccc(C[NH3+])cc2)CC1=O ZINC000516653430 416733748 /nfs/dbraw/zinc/73/37/48/416733748.db2.gz CTDLXJASVAYKML-OAHLLOKOSA-N 1 3 318.421 0.172 20 0 DCADHO O=C(CN[C@]12CCC[C@@H]1C[NH2+]C2)NC1CCN(C2CC2)CC1 ZINC000631867770 416771608 /nfs/dbraw/zinc/77/16/08/416771608.db2.gz IXNJEHMSBVIMLD-DYVFJYSZSA-N 1 3 306.454 0.461 20 0 DCADHO C[C@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]C1 ZINC000517031181 416772218 /nfs/dbraw/zinc/77/22/18/416772218.db2.gz JKPBVGSZFXTKIE-HIFRSBDPSA-N 1 3 306.414 0.290 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[N@H+](C)C1CC1 ZINC000369476725 416783042 /nfs/dbraw/zinc/78/30/42/416783042.db2.gz NXISFQLBZGKYFX-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000369476725 416783049 /nfs/dbraw/zinc/78/30/49/416783049.db2.gz NXISFQLBZGKYFX-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO O=C(NC[C@@H](O)CN1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000427049183 416793525 /nfs/dbraw/zinc/79/35/25/416793525.db2.gz MMLBBDUYEDCYAB-MRXNPFEDSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCN1C1CC1 ZINC000427048342 416794804 /nfs/dbraw/zinc/79/48/04/416794804.db2.gz DMTKDTYHHSOXLK-HZPDHXFCSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCCN1C1CC1 ZINC000427048342 416794809 /nfs/dbraw/zinc/79/48/09/416794809.db2.gz DMTKDTYHHSOXLK-HZPDHXFCSA-N 1 3 309.454 0.966 20 0 DCADHO [NH3+]CC[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631936309 416814771 /nfs/dbraw/zinc/81/47/71/416814771.db2.gz YZEYMMUYTJZIMA-CQSZACIVSA-N 1 3 303.472 0.863 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)c2coc(CN)c2)CC1 ZINC000444271196 416827456 /nfs/dbraw/zinc/82/74/56/416827456.db2.gz XMLZZSBHHACQAR-UHFFFAOYSA-N 1 3 308.426 0.886 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc[nH]n3)CC2)CC1 ZINC000561189485 416857076 /nfs/dbraw/zinc/85/70/76/416857076.db2.gz DGLHETJNJIOQHQ-UHFFFAOYSA-N 1 3 305.426 1.545 20 0 DCADHO Cc1ccccc1C[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623870260 416910548 /nfs/dbraw/zinc/91/05/48/416910548.db2.gz UMXDYZHLEYLZFU-UHFFFAOYSA-N 1 3 313.409 0.504 20 0 DCADHO CN(C)CCN(C(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000565029370 416911493 /nfs/dbraw/zinc/91/14/93/416911493.db2.gz WSEGPKUSNURPEL-UHFFFAOYSA-N 1 3 316.409 0.835 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000373040502 416949010 /nfs/dbraw/zinc/94/90/10/416949010.db2.gz SCFAVUSIBMVRCA-FZMZJTMJSA-N 1 3 318.425 0.415 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565238105 416954959 /nfs/dbraw/zinc/95/49/59/416954959.db2.gz GBOJGRTURPQFLZ-MCIONIFRSA-N 1 3 308.426 0.021 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565238105 416954964 /nfs/dbraw/zinc/95/49/64/416954964.db2.gz GBOJGRTURPQFLZ-MCIONIFRSA-N 1 3 308.426 0.021 20 0 DCADHO CN1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@H](CN)C1 ZINC000641880833 417015407 /nfs/dbraw/zinc/01/54/07/417015407.db2.gz AMKRUQPFYXSQSE-CVEARBPZSA-N 1 3 319.453 0.751 20 0 DCADHO CN(C)CCN(C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000642001004 417021307 /nfs/dbraw/zinc/02/13/07/417021307.db2.gz SARUKYMDPUWQJI-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000520839449 416980165 /nfs/dbraw/zinc/98/01/65/416980165.db2.gz FDDRSMJZLREPTQ-RBSFLKMASA-N 1 3 322.453 0.267 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000431024795 417098179 /nfs/dbraw/zinc/09/81/79/417098179.db2.gz WOHSFMHFIUZPCL-RDJZCZTQSA-N 1 3 318.465 0.871 20 0 DCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431038178 417099440 /nfs/dbraw/zinc/09/94/40/417099440.db2.gz NNLBJMXGIFMAST-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000431024797 417099742 /nfs/dbraw/zinc/09/97/42/417099742.db2.gz WOHSFMHFIUZPCL-WBVHZDCISA-N 1 3 318.465 0.871 20 0 DCADHO C[C@@](C[NH3+])(NCCC(=O)Nc1ccc(C(N)=O)cc1)C1CC1 ZINC000430572363 417043924 /nfs/dbraw/zinc/04/39/24/417043924.db2.gz FZQQOSKDGYTTRV-INIZCTEOSA-N 1 3 304.394 0.831 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430600501 417049676 /nfs/dbraw/zinc/04/96/76/417049676.db2.gz SAZFPVQOHQTCJX-KBPBESRZSA-N 1 3 308.470 0.789 20 0 DCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000430602247 417050023 /nfs/dbraw/zinc/05/00/23/417050023.db2.gz VYDRQASKCHQNKX-ZDUSSCGKSA-N 1 3 324.469 0.420 20 0 DCADHO CN1CCC[C@]2(CCN(S(=O)(=O)CCC[NH+](C)C)C2)C1 ZINC000632370821 417050592 /nfs/dbraw/zinc/05/05/92/417050592.db2.gz LHAQZEWULBWOAK-AWEZNQCLSA-N 1 3 303.472 0.686 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642431133 417051695 /nfs/dbraw/zinc/05/16/95/417051695.db2.gz DOFUQNBSMXWESI-AWEZNQCLSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000642439564 417053083 /nfs/dbraw/zinc/05/30/83/417053083.db2.gz MFJCVGYLKVVOTL-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000642439344 417053440 /nfs/dbraw/zinc/05/34/40/417053440.db2.gz BUNMBNKLEJWNKQ-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642439392 417053894 /nfs/dbraw/zinc/05/38/94/417053894.db2.gz DWYIEHAUAHBNPA-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430652500 417054740 /nfs/dbraw/zinc/05/47/40/417054740.db2.gz NCPHTFAXXWEEEO-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CO[C@H]1C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000637263068 417055884 /nfs/dbraw/zinc/05/58/84/417055884.db2.gz DNZYBDVRMIDFGT-SOUVJXGZSA-N 1 3 314.474 0.983 20 0 DCADHO CO[C@H]1C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000637263068 417055890 /nfs/dbraw/zinc/05/58/90/417055890.db2.gz DNZYBDVRMIDFGT-SOUVJXGZSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000642789435 417102854 /nfs/dbraw/zinc/10/28/54/417102854.db2.gz GTDGWOCRYDVTKZ-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC[C@H]1[NH3+] ZINC000642698725 417073806 /nfs/dbraw/zinc/07/38/06/417073806.db2.gz JHJNMYLYAZXURB-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)C1CC[NH+](C)CC1 ZINC000642724468 417079262 /nfs/dbraw/zinc/07/92/62/417079262.db2.gz QHWYDGYKKHPKGQ-DOMZBBRYSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCN1 ZINC000642718479 417080259 /nfs/dbraw/zinc/08/02/59/417080259.db2.gz CUQIDBBBEXXDOX-NWANDNLSSA-N 1 3 322.453 0.042 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CCN1 ZINC000642718479 417080269 /nfs/dbraw/zinc/08/02/69/417080269.db2.gz CUQIDBBBEXXDOX-NWANDNLSSA-N 1 3 322.453 0.042 20 0 DCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC([C@H](C)[NH3+])CC2)C1 ZINC000430929541 417082748 /nfs/dbraw/zinc/08/27/48/417082748.db2.gz OZPMYBFYBNJORC-WFASDCNBSA-N 1 3 310.442 0.173 20 0 DCADHO CC(=O)Nc1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430636152 287349185 /nfs/dbraw/zinc/34/91/85/287349185.db2.gz IJSHVJVCWAFWGJ-HNNXBMFYSA-N 1 3 318.421 0.932 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430630351 287348425 /nfs/dbraw/zinc/34/84/25/287348425.db2.gz RXVJWFXWRIVYIK-AWEZNQCLSA-N 1 3 308.470 0.661 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000419414694 287348930 /nfs/dbraw/zinc/34/89/30/287348930.db2.gz UGNOARDJOVQBTE-QLFBSQMISA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)COCC[NH3+] ZINC000398119624 417107609 /nfs/dbraw/zinc/10/76/09/417107609.db2.gz GQOUBWRKBOWDHL-GOEBONIOSA-N 1 3 305.422 0.989 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637507297 417128233 /nfs/dbraw/zinc/12/82/33/417128233.db2.gz FPMGNRGTDLULTN-CABCVRRESA-N 1 3 312.458 0.689 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246462207 287351698 /nfs/dbraw/zinc/35/16/98/287351698.db2.gz DPLQCAUNIWVKTR-UKRRQHHQSA-N 1 3 300.447 0.330 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919362 417126502 /nfs/dbraw/zinc/12/65/02/417126502.db2.gz XZRBNKNSIZGJDV-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000642941726 417130644 /nfs/dbraw/zinc/13/06/44/417130644.db2.gz JCDPCYSKUJWYCT-ZIAGYGMSSA-N 1 3 312.458 0.465 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000642948670 417130711 /nfs/dbraw/zinc/13/07/11/417130711.db2.gz ASUXDZBJKQMYHI-XGUBFFRZSA-N 1 3 322.453 0.315 20 0 DCADHO Cc1nn(C)cc1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525438667 417141043 /nfs/dbraw/zinc/14/10/43/417141043.db2.gz KHUFIARJEAZOKV-ZDUSSCGKSA-N 1 3 324.473 0.924 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449342427 417141695 /nfs/dbraw/zinc/14/16/95/417141695.db2.gz BKUJLHDRIPACOB-ZIAGYGMSSA-N 1 3 320.441 0.634 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000616998536 417150472 /nfs/dbraw/zinc/15/04/72/417150472.db2.gz PZNQWCDGKSPSRW-CABCVRRESA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000616998536 417150478 /nfs/dbraw/zinc/15/04/78/417150478.db2.gz PZNQWCDGKSPSRW-CABCVRRESA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000568749273 417168536 /nfs/dbraw/zinc/16/85/36/417168536.db2.gz HWXKLPXUACXKGN-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)N(C)CCOCC[NH3+])c1 ZINC000626936762 417179136 /nfs/dbraw/zinc/17/91/36/417179136.db2.gz AMWORZHBENUCMP-UHFFFAOYSA-N 1 3 308.426 0.865 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410808785 417180497 /nfs/dbraw/zinc/18/04/97/417180497.db2.gz LLMHYCHQKWZGOD-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637814980 417197314 /nfs/dbraw/zinc/19/73/14/417197314.db2.gz CMJVUPVYPNVVOX-HZPDHXFCSA-N 1 3 304.438 0.704 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637844933 417206546 /nfs/dbraw/zinc/20/65/46/417206546.db2.gz SSLKXQCGRCWAIP-HZPDHXFCSA-N 1 3 306.454 0.935 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000637848685 417207645 /nfs/dbraw/zinc/20/76/45/417207645.db2.gz UPBBNUMIXGKBFW-GJZGRUSLSA-N 1 3 315.458 0.557 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000643502949 417226066 /nfs/dbraw/zinc/22/60/66/417226066.db2.gz VXNMEHFKPOPSDF-KRWDZBQOSA-N 1 3 322.453 0.143 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000569607866 417273837 /nfs/dbraw/zinc/27/38/37/417273837.db2.gz VEIXAHJFQMTQPL-LSDHHAIUSA-N 1 3 324.469 0.323 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CCCCC[NH2+]3)C2)nn1 ZINC000569607046 417274470 /nfs/dbraw/zinc/27/44/70/417274470.db2.gz RFSJSUPPHMVTBV-KBPBESRZSA-N 1 3 306.414 0.433 20 0 DCADHO NCC(=O)N1CCC[C@H](CN(CC[NH3+])Cc2ccccc2)C1 ZINC000414666193 417291609 /nfs/dbraw/zinc/29/16/09/417291609.db2.gz FXLXRPXXYFYEIW-MRXNPFEDSA-N 1 3 304.438 0.645 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](O)C23CCCC3)CC1 ZINC000569301715 417236120 /nfs/dbraw/zinc/23/61/20/417236120.db2.gz RVXABEBPMHEATA-OAHLLOKOSA-N 1 3 309.454 0.966 20 0 DCADHO CCCN1CC[C@@H](NC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000627117073 417236741 /nfs/dbraw/zinc/23/67/41/417236741.db2.gz PXUDCEOFFZKGSL-TZMCWYRMSA-N 1 3 321.429 0.096 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643591506 417251622 /nfs/dbraw/zinc/25/16/22/417251622.db2.gz ALVYAPQOAMLANN-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)C2)CC1 ZINC000569455206 417252849 /nfs/dbraw/zinc/25/28/49/417252849.db2.gz BTBBZLYXMCUDAC-HRCADAONSA-N 1 3 308.470 0.611 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638047527 417296360 /nfs/dbraw/zinc/29/63/60/417296360.db2.gz OYPJYXSQSUMTNI-MRXNPFEDSA-N 1 3 306.454 0.904 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433387689 417263157 /nfs/dbraw/zinc/26/31/57/417263157.db2.gz RTOVDBPEULXGPW-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433390346 417264407 /nfs/dbraw/zinc/26/44/07/417264407.db2.gz ZQVMWWLXQZRZNN-KBPBESRZSA-N 1 3 322.457 0.909 20 0 DCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000638135842 417349527 /nfs/dbraw/zinc/34/95/27/417349527.db2.gz VDFHJMWNSLPHHQ-GDBMZVCRSA-N 1 3 304.394 0.497 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000638145251 417350707 /nfs/dbraw/zinc/35/07/07/417350707.db2.gz KEDYIQBSITZKOG-ZIAGYGMSSA-N 1 3 301.431 0.167 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000569826473 417300590 /nfs/dbraw/zinc/30/05/90/417300590.db2.gz XWNMLAAKQVHXAU-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+](CCO)Cc2cccc(F)c2)C1 ZINC000414754961 417301619 /nfs/dbraw/zinc/30/16/19/417301619.db2.gz GVFQAZBPGNVPNC-OAHLLOKOSA-N 1 3 323.412 0.817 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCO)Cc2cccc(F)c2)C1 ZINC000414754961 417301629 /nfs/dbraw/zinc/30/16/29/417301629.db2.gz GVFQAZBPGNVPNC-OAHLLOKOSA-N 1 3 323.412 0.817 20 0 DCADHO CN1CCC(n2cc(NC(=O)NC[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000632960487 417301634 /nfs/dbraw/zinc/30/16/34/417301634.db2.gz GYJAQLJIRUSITC-GFCCVEGCSA-N 1 3 306.414 0.881 20 0 DCADHO C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@H]1N1CCN(C)CC1 ZINC000627249788 417302066 /nfs/dbraw/zinc/30/20/66/417302066.db2.gz FNORJILLPZWPAH-RRFJBIMHSA-N 1 3 309.458 0.016 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621841452 417319432 /nfs/dbraw/zinc/31/94/32/417319432.db2.gz VNBDDWCMXICZMU-XJKSGUPXSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621844112 417319465 /nfs/dbraw/zinc/31/94/65/417319465.db2.gz PCZNKPJYEXYIKV-JJRVBVJISA-N 1 3 322.453 0.317 20 0 DCADHO CCS(=O)(=O)NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415077738 417328049 /nfs/dbraw/zinc/32/80/49/417328049.db2.gz HZHUONLMNOJJDH-MCIONIFRSA-N 1 3 303.472 0.826 20 0 DCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638223985 417383265 /nfs/dbraw/zinc/38/32/65/417383265.db2.gz GHZGIMGADIJEKS-HRCADAONSA-N 1 3 322.428 0.604 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000570554457 417365029 /nfs/dbraw/zinc/36/50/29/417365029.db2.gz TYPYLDOCLXFALX-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638201374 417372376 /nfs/dbraw/zinc/37/23/76/417372376.db2.gz MLTNETOJXGPPGF-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000627362938 417375368 /nfs/dbraw/zinc/37/53/68/417375368.db2.gz AXLSZYOLTILHDD-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000627362938 417375377 /nfs/dbraw/zinc/37/53/77/417375377.db2.gz AXLSZYOLTILHDD-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622032100 417376327 /nfs/dbraw/zinc/37/63/27/417376327.db2.gz ZDCBKRJYYAGULR-WMLDXEAASA-N 1 3 322.453 0.271 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC000638209580 417377259 /nfs/dbraw/zinc/37/72/59/417377259.db2.gz YMGXCKGYPGGWCV-OAHLLOKOSA-N 1 3 304.438 0.704 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000638211100 417377443 /nfs/dbraw/zinc/37/74/43/417377443.db2.gz PKRFINNSEOZAQO-KGLIPLIRSA-N 1 3 301.431 0.228 20 0 DCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526770 417481764 /nfs/dbraw/zinc/48/17/64/417481764.db2.gz PRCNNNDKHMZFLL-IUODEOHRSA-N 1 3 318.421 0.915 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000638536283 417484153 /nfs/dbraw/zinc/48/41/53/417484153.db2.gz JBHCLSUIYAGWDO-QWHCGFSZSA-N 1 3 306.414 0.417 20 0 DCADHO [NH3+]C[C@]1(C(=O)Nc2ccc3c(c2)OCCNC3)CCCOC1 ZINC000638673641 417529542 /nfs/dbraw/zinc/52/95/42/417529542.db2.gz MGDXWULNRKRTDB-MRXNPFEDSA-N 1 3 305.378 0.863 20 0 DCADHO CN(C[C@H](O)C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000575377317 417531814 /nfs/dbraw/zinc/53/18/14/417531814.db2.gz LDHLLSMHCMQGKO-BRWVUGGUSA-N 1 3 311.470 0.409 20 0 DCADHO CN1CCO[C@@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634645173 417524134 /nfs/dbraw/zinc/52/41/34/417524134.db2.gz IKZWCLRRTREBGP-ZWKOTPCHSA-N 1 3 319.449 0.544 20 0 DCADHO CN1CCO[C@@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634645173 417524138 /nfs/dbraw/zinc/52/41/38/417524138.db2.gz IKZWCLRRTREBGP-ZWKOTPCHSA-N 1 3 319.449 0.544 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638983469 417595482 /nfs/dbraw/zinc/59/54/82/417595482.db2.gz AMMNJJIKHADEIX-CZUORRHYSA-N 1 3 301.394 0.429 20 0 DCADHO COC[C@]1(C(=O)Nc2cc(N3CCNCC3)ccn2)CC[NH2+]C1 ZINC000638985837 417598446 /nfs/dbraw/zinc/59/84/46/417598446.db2.gz PBLAWGKZIGZOFM-INIZCTEOSA-N 1 3 319.409 0.056 20 0 DCADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CC1 ZINC000644562061 417620007 /nfs/dbraw/zinc/62/00/07/417620007.db2.gz RGLMBLFTYQPJKU-HOCLYGCPSA-N 1 3 307.442 0.002 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000644562977 417618180 /nfs/dbraw/zinc/61/81/80/417618180.db2.gz JJWJFQOCFPIRHR-NVXWUHKLSA-N 1 3 312.502 0.305 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)NCCN2CCCCCC2)nn1 ZINC000576633492 417623936 /nfs/dbraw/zinc/62/39/36/417623936.db2.gz IGPMIQGEEHXFCZ-UHFFFAOYSA-N 1 3 308.430 0.623 20 0 DCADHO COCCn1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cn1 ZINC000639159548 417631221 /nfs/dbraw/zinc/63/12/21/417631221.db2.gz YVHQYVXYJVQORR-UHFFFAOYSA-N 1 3 310.442 0.854 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000577085934 417661314 /nfs/dbraw/zinc/66/13/14/417661314.db2.gz WBELKDCVJGIGJF-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000635485929 417675725 /nfs/dbraw/zinc/67/57/25/417675725.db2.gz HYWHWULYGSVEGF-UKRRQHHQSA-N 1 3 322.453 0.269 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000635485929 417675729 /nfs/dbraw/zinc/67/57/29/417675729.db2.gz HYWHWULYGSVEGF-UKRRQHHQSA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635811523 417766025 /nfs/dbraw/zinc/76/60/25/417766025.db2.gz JXRSGACNJRNMSE-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000635581814 417712089 /nfs/dbraw/zinc/71/20/89/417712089.db2.gz FJWWPQDJWIWZHL-MRXNPFEDSA-N 1 3 309.454 0.899 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000635581814 417712090 /nfs/dbraw/zinc/71/20/90/417712090.db2.gz FJWWPQDJWIWZHL-MRXNPFEDSA-N 1 3 309.454 0.899 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000635663550 417734685 /nfs/dbraw/zinc/73/46/85/417734685.db2.gz HEHQDMWIWMZAAJ-KFWWJZLASA-N 1 3 313.442 0.323 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000662622453 417824427 /nfs/dbraw/zinc/82/44/27/417824427.db2.gz SAHBGJNNCILGBD-LBPRGKRZSA-N 1 3 320.441 0.805 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000630747989 417824656 /nfs/dbraw/zinc/82/46/56/417824656.db2.gz BHJUPGXTVBXSCV-LSDHHAIUSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000630747989 417824660 /nfs/dbraw/zinc/82/46/60/417824660.db2.gz BHJUPGXTVBXSCV-LSDHHAIUSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(NC(=O)C(C)(C)N2CC[NH2+]CC2)cn1 ZINC000645803433 417797002 /nfs/dbraw/zinc/79/70/02/417797002.db2.gz ZZBQHGGVFNWQNV-UHFFFAOYSA-N 1 3 308.430 0.067 20 0 DCADHO CC(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000662598774 417817929 /nfs/dbraw/zinc/81/79/29/417817929.db2.gz WXKPKBSEHWXFBZ-AAEUAGOBSA-N 1 3 302.440 0.658 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000662679741 417848141 /nfs/dbraw/zinc/84/81/41/417848141.db2.gz CEBOILOMPXDOKY-IRXDYDNUSA-N 1 3 317.433 0.915 20 0 DCADHO CN1CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681366 417848852 /nfs/dbraw/zinc/84/88/52/417848852.db2.gz GBLYFHCYAGXRFI-CHWSQXEVSA-N 1 3 306.414 0.274 20 0 DCADHO C[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646460469 417853349 /nfs/dbraw/zinc/85/33/49/417853349.db2.gz HXSYJWNGUQCMLW-XHSDSOJGSA-N 1 3 322.497 0.954 20 0 DCADHO C[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000646460469 417853354 /nfs/dbraw/zinc/85/33/54/417853354.db2.gz HXSYJWNGUQCMLW-XHSDSOJGSA-N 1 3 322.497 0.954 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)NCCOCCN(C)C ZINC000652182043 417858217 /nfs/dbraw/zinc/85/82/17/417858217.db2.gz YLSRCKKTUMQJEF-UHFFFAOYSA-N 1 3 308.426 0.783 20 0 DCADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662715545 417868043 /nfs/dbraw/zinc/86/80/43/417868043.db2.gz JUSYTSICWWPROU-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC1C[NH2+]C1 ZINC000646071124 417868449 /nfs/dbraw/zinc/86/84/49/417868449.db2.gz NGGDDLJABORROQ-QGZVFWFLSA-N 1 3 314.389 0.402 20 0 DCADHO NCc1cccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000646579242 417872721 /nfs/dbraw/zinc/87/27/21/417872721.db2.gz CXIXYXWRUBWWHK-CYBMUJFWSA-N 1 3 300.366 0.741 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2NCC2(C)C)CC1 ZINC000662742925 417881359 /nfs/dbraw/zinc/88/13/59/417881359.db2.gz IBIPZRGKTWAOEC-CQSZACIVSA-N 1 3 310.442 0.091 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])n1 ZINC000662752433 417890086 /nfs/dbraw/zinc/89/00/86/417890086.db2.gz YYJQYWAIAKXFLR-SWKMLJDHSA-N 1 3 319.409 0.411 20 0 DCADHO C[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)CN1CCN(C)CC1 ZINC000662759459 417894488 /nfs/dbraw/zinc/89/44/88/417894488.db2.gz XIZPMRXQUUUVJK-AWEZNQCLSA-N 1 3 308.470 0.648 20 0 DCADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000662794370 417906836 /nfs/dbraw/zinc/90/68/36/417906836.db2.gz NNBLRFWTZMVZBZ-JKSUJKDBSA-N 1 3 318.421 0.778 20 0 DCADHO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858212 417927918 /nfs/dbraw/zinc/92/79/18/417927918.db2.gz FHYMZADLQUMABX-IRXDYDNUSA-N 1 3 317.433 0.869 20 0 DCADHO CC[C@H]([NH2+]C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662859423 417929258 /nfs/dbraw/zinc/92/92/58/417929258.db2.gz MJRMNUPLRUBPPJ-HOTGVXAUSA-N 1 3 305.422 0.867 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000652695477 417945962 /nfs/dbraw/zinc/94/59/62/417945962.db2.gz VLORSWRMZRYGOZ-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652692769 417946151 /nfs/dbraw/zinc/94/61/51/417946151.db2.gz CBNVUPAWUWOUOI-ZDUSSCGKSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000640941627 417948320 /nfs/dbraw/zinc/94/83/20/417948320.db2.gz XEHGVZFPZUFHLZ-DZGCQCFKSA-N 1 3 303.410 0.911 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652731261 417958229 /nfs/dbraw/zinc/95/82/29/417958229.db2.gz FXKDRCFPDFPLHQ-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@@H]2CSCCN2)CCO1 ZINC000662973533 417968584 /nfs/dbraw/zinc/96/85/84/417968584.db2.gz RDKHSROBLNLKSO-KGLIPLIRSA-N 1 3 315.483 0.651 20 0 DCADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000647549853 418020966 /nfs/dbraw/zinc/02/09/66/418020966.db2.gz UEQQXVDMFSKRHD-BHPKHCPMSA-N 1 3 303.410 0.503 20 0 DCADHO CCN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663454781 418021106 /nfs/dbraw/zinc/02/11/06/418021106.db2.gz SWRQYINXKOYTAP-INIZCTEOSA-N 1 3 324.469 0.711 20 0 DCADHO CCN1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663454781 418021110 /nfs/dbraw/zinc/02/11/10/418021110.db2.gz SWRQYINXKOYTAP-INIZCTEOSA-N 1 3 324.469 0.711 20 0 DCADHO CC(C(=O)NC[C@H]1CCCC[NH2+]1)S(=O)(=O)C1CCOCC1 ZINC000647577433 418026977 /nfs/dbraw/zinc/02/69/77/418026977.db2.gz FGWFKBWDRPDEJA-VXGBXAGGSA-N 1 3 318.439 0.227 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653124829 418033663 /nfs/dbraw/zinc/03/36/63/418033663.db2.gz IKRTUTABUPMYDW-HRCADAONSA-N 1 3 310.486 0.894 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653124822 418033739 /nfs/dbraw/zinc/03/37/39/418033739.db2.gz IICAHJORCVLEEA-HOTGVXAUSA-N 1 3 308.470 0.661 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663611548 418036691 /nfs/dbraw/zinc/03/66/91/418036691.db2.gz KSWDQTNCHOGOAA-QGZVFWFLSA-N 1 3 318.421 0.597 20 0 DCADHO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000653148051 418037519 /nfs/dbraw/zinc/03/75/19/418037519.db2.gz MOVSTQHWYGZZAR-IRXDYDNUSA-N 1 3 318.465 0.998 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)CCOC2CNC2)C1 ZINC000653259985 418049632 /nfs/dbraw/zinc/04/96/32/418049632.db2.gz BDBJKIVRQWLABK-BPLDGKMQSA-N 1 3 311.426 0.252 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659528631 418112083 /nfs/dbraw/zinc/11/20/83/418112083.db2.gz FEIJCJCYTLZVTR-CZUORRHYSA-N 1 3 320.437 0.790 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659552159 418117295 /nfs/dbraw/zinc/11/72/95/418117295.db2.gz DJRSRKDZEJSSIK-UKRRQHHQSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659552159 418117299 /nfs/dbraw/zinc/11/72/99/418117299.db2.gz DJRSRKDZEJSSIK-UKRRQHHQSA-N 1 3 310.442 0.681 20 0 DCADHO CN(CCc1nc2ccccc2c(=O)[nH]1)CCN1CC[NH2+]CC1 ZINC000647835653 418059940 /nfs/dbraw/zinc/05/99/40/418059940.db2.gz HECDBHSRKVWSPN-UHFFFAOYSA-N 1 3 315.421 0.715 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000659102286 418061369 /nfs/dbraw/zinc/06/13/69/418061369.db2.gz BYATYKCUWOPVNP-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO CN1CCN(C(=O)CCN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647904244 418073542 /nfs/dbraw/zinc/07/35/42/418073542.db2.gz ZPMBNYMBMHAVMY-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO Cn1c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000647977164 418082688 /nfs/dbraw/zinc/08/26/88/418082688.db2.gz YSTUQIQLVZYKBX-UONOGXRCSA-N 1 3 320.437 0.296 20 0 DCADHO CN(CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000664093386 418085838 /nfs/dbraw/zinc/08/58/38/418085838.db2.gz JRVUVUIAHXWLCW-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO CCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664185361 418095257 /nfs/dbraw/zinc/09/52/57/418095257.db2.gz XGXQSFNHYLTHKJ-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664185361 418095260 /nfs/dbraw/zinc/09/52/60/418095260.db2.gz XGXQSFNHYLTHKJ-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659446705 418097810 /nfs/dbraw/zinc/09/78/10/418097810.db2.gz RYGZCPLXDGRICT-SNVBAGLBSA-N 1 3 310.402 0.170 20 0 DCADHO COCCCN1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659448364 418098320 /nfs/dbraw/zinc/09/83/20/418098320.db2.gz DDBCQEBYJVYLLS-UHFFFAOYSA-N 1 3 300.447 0.866 20 0 DCADHO C[C@@H](CNC(=O)NCC1([NH3+])CCCC1)CN1CCN(C)CC1 ZINC000659459826 418100184 /nfs/dbraw/zinc/10/01/84/418100184.db2.gz GFGPXIXWGCNQFK-AWEZNQCLSA-N 1 3 311.474 0.441 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659480799 418103201 /nfs/dbraw/zinc/10/32/01/418103201.db2.gz SXZGYADRUNINDF-CJNGLKHVSA-N 1 3 320.437 0.660 20 0 DCADHO CN1CCN(CC2CCN(C(=O)CC3([NH3+])CCC3)CC2)CC1 ZINC000648150875 418107195 /nfs/dbraw/zinc/10/71/95/418107195.db2.gz MWZMUSZNAPJPEO-UHFFFAOYSA-N 1 3 308.470 0.744 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659608851 418125639 /nfs/dbraw/zinc/12/56/39/418125639.db2.gz RKFNKGVMAZIJRI-FVQBIDKESA-N 1 3 322.453 0.633 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000659758248 418178158 /nfs/dbraw/zinc/17/81/58/418178158.db2.gz ZXOGOSRFYSTJKR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654433736 418144936 /nfs/dbraw/zinc/14/49/36/418144936.db2.gz WLRKMCJZOIKVSS-XUWVNRHRSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654433736 418144937 /nfs/dbraw/zinc/14/49/37/418144937.db2.gz WLRKMCJZOIKVSS-XUWVNRHRSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)[NH+](C)C ZINC000664814828 418155287 /nfs/dbraw/zinc/15/52/87/418155287.db2.gz JQGPZTCELWUCJP-AWEZNQCLSA-N 1 3 313.490 0.652 20 0 DCADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)NC1CC[NH2+]CC1 ZINC000659709397 418155837 /nfs/dbraw/zinc/15/58/37/418155837.db2.gz IEGUGNUWDHIEBW-CQSZACIVSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659713048 418158186 /nfs/dbraw/zinc/15/81/86/418158186.db2.gz OXOSZNATEDYFHT-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000659713389 418158724 /nfs/dbraw/zinc/15/87/24/418158724.db2.gz IRPHJBRPUZWRNI-WLYUNCDWSA-N 1 3 324.469 0.609 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659724100 418163303 /nfs/dbraw/zinc/16/33/03/418163303.db2.gz TXPAGBHWPRCEOU-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CC[N@@H+]1C ZINC000648845645 418165323 /nfs/dbraw/zinc/16/53/23/418165323.db2.gz LFPKJLOWPAPJAQ-VQHPVUNQSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CC[N@H+]1C ZINC000648845645 418165326 /nfs/dbraw/zinc/16/53/26/418165326.db2.gz LFPKJLOWPAPJAQ-VQHPVUNQSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659738973 418170738 /nfs/dbraw/zinc/17/07/38/418170738.db2.gz BWKFEDRCZNYOIQ-GXZXJKLZSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000659739716 418171937 /nfs/dbraw/zinc/17/19/37/418171937.db2.gz YKJMVGTTXMCYJL-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])C1 ZINC000659739471 418172673 /nfs/dbraw/zinc/17/26/73/418172673.db2.gz VAYLERYMERFMSY-RDBSUJKOSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649330199 418240084 /nfs/dbraw/zinc/24/00/84/418240084.db2.gz CMDOZCFGDJFPBG-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)C1(CNC(=O)COC2(C)CNC2)Cc2ccccc2C1 ZINC000649338958 418242602 /nfs/dbraw/zinc/24/26/02/418242602.db2.gz QQMYYLYBVLISEA-UHFFFAOYSA-N 1 3 317.433 0.580 20 0 DCADHO Cc1cc(NC(=O)COC2(C)CNC2)n(C2CC[NH+](C)CC2)n1 ZINC000649339292 418243037 /nfs/dbraw/zinc/24/30/37/418243037.db2.gz IOZBYNLBZWQKIS-UHFFFAOYSA-N 1 3 321.425 0.775 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351167 418247731 /nfs/dbraw/zinc/24/77/31/418247731.db2.gz WPXRAXRCIVDCNG-ZDUSSCGKSA-N 1 3 318.412 0.375 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000649370204 418247882 /nfs/dbraw/zinc/24/78/82/418247882.db2.gz HREYJVIGVASHGZ-OAHLLOKOSA-N 1 3 308.470 0.805 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649288881 418224870 /nfs/dbraw/zinc/22/48/70/418224870.db2.gz SCLSBFFXICPISE-BMFZPTHFSA-N 1 3 303.406 0.994 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CN1CCCC1 ZINC000655698405 418287936 /nfs/dbraw/zinc/28/79/36/418287936.db2.gz BLIRTUWEKNMPTN-IRXDYDNUSA-N 1 3 311.470 0.676 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655919582 418300947 /nfs/dbraw/zinc/30/09/47/418300947.db2.gz HUGYLQPYNYZTMR-JTQLQIEISA-N 1 3 312.336 0.286 20 0 DCADHO [NH3+]C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCCCC1 ZINC000655961638 418307925 /nfs/dbraw/zinc/30/79/25/418307925.db2.gz WJNOCHJQLSFFAJ-UONOGXRCSA-N 1 3 310.442 0.499 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000655975216 418310038 /nfs/dbraw/zinc/31/00/38/418310038.db2.gz UIFBBEYMHLLDNY-RBSFLKMASA-N 1 3 309.458 0.288 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656029367 418322285 /nfs/dbraw/zinc/32/22/85/418322285.db2.gz YWYIZFKAJIRBAS-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH2+][C@@H](C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000655449830 418263026 /nfs/dbraw/zinc/26/30/26/418263026.db2.gz QOFFNGVMBAQKRR-INIZCTEOSA-N 1 3 318.465 0.918 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516348 418271770 /nfs/dbraw/zinc/27/17/70/418271770.db2.gz SWRJIBXLYYFKEI-HAYRHPOISA-N 1 3 309.332 0.525 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660587419 418272036 /nfs/dbraw/zinc/27/20/36/418272036.db2.gz AAVVPSGFHDJECA-HNNXBMFYSA-N 1 3 312.458 0.879 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660587419 418272039 /nfs/dbraw/zinc/27/20/39/418272039.db2.gz AAVVPSGFHDJECA-HNNXBMFYSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@H](N2CCCC2)C1 ZINC000662439015 418409960 /nfs/dbraw/zinc/40/99/60/418409960.db2.gz GKNUXLCWJUPUBO-OLZOCXBDSA-N 1 3 303.410 0.797 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC1 ZINC000179163502 261111661 /nfs/dbraw/zinc/11/16/61/261111661.db2.gz WATICZPYUJALFV-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC1 ZINC000179163502 261111663 /nfs/dbraw/zinc/11/16/63/261111663.db2.gz WATICZPYUJALFV-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354665143 261253487 /nfs/dbraw/zinc/25/34/87/261253487.db2.gz FAAHMZPTRJMVCG-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CCC(N(C)C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354685068 261258489 /nfs/dbraw/zinc/25/84/89/261258489.db2.gz YEGHUXKXMWPASL-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000354743582 261266480 /nfs/dbraw/zinc/26/64/80/261266480.db2.gz RMDGOHYVSXTADJ-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000355328322 261331727 /nfs/dbraw/zinc/33/17/27/261331727.db2.gz YYVXCMDCUAZLAA-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000356142393 261395469 /nfs/dbraw/zinc/39/54/69/261395469.db2.gz UJWJLSKKFFBSRV-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000356142393 261395470 /nfs/dbraw/zinc/39/54/70/261395470.db2.gz UJWJLSKKFFBSRV-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000362903925 262085413 /nfs/dbraw/zinc/08/54/13/262085413.db2.gz AVVVVIRJOXUJTN-BZUAXINKSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000362969241 262091081 /nfs/dbraw/zinc/09/10/81/262091081.db2.gz JWDVVMQTNYIFJN-JSGCOSHPSA-N 1 3 306.410 0.546 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000362969241 262091083 /nfs/dbraw/zinc/09/10/83/262091083.db2.gz JWDVVMQTNYIFJN-JSGCOSHPSA-N 1 3 306.410 0.546 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000362987888 262092600 /nfs/dbraw/zinc/09/26/00/262092600.db2.gz WAKWCQBMVCRLIN-DZGCQCFKSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000362987888 262092603 /nfs/dbraw/zinc/09/26/03/262092603.db2.gz WAKWCQBMVCRLIN-DZGCQCFKSA-N 1 3 320.437 0.836 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CNCCO2)c1 ZINC000417078661 262244854 /nfs/dbraw/zinc/24/48/54/262244854.db2.gz ZCPCYGYEENXJFX-HNNXBMFYSA-N 1 3 306.410 0.536 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417369771 262251252 /nfs/dbraw/zinc/25/12/52/262251252.db2.gz SOPWQXVWNQLHRZ-AWEZNQCLSA-N 1 3 306.410 0.788 20 0 DCADHO COCCCN(C)CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417761892 262261370 /nfs/dbraw/zinc/26/13/70/262261370.db2.gz ZVBXLKUZDBCCBT-UHFFFAOYSA-N 1 3 300.447 0.916 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@@H](C)CN1 ZINC000417833421 262262981 /nfs/dbraw/zinc/26/29/81/262262981.db2.gz RTNVNMDUBWRSGJ-DYEKYZERSA-N 1 3 300.472 0.816 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CCC[NH2+]C2)ccn1 ZINC000417956359 262266251 /nfs/dbraw/zinc/26/62/51/262266251.db2.gz SSJYBRQDBFPRDS-AWEZNQCLSA-N 1 3 321.425 0.573 20 0 DCADHO CC(C)([NH3+])CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417985598 262267242 /nfs/dbraw/zinc/26/72/42/262267242.db2.gz FRKWZXPCHBDIGU-OAHLLOKOSA-N 1 3 320.437 0.790 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418015846 262267990 /nfs/dbraw/zinc/26/79/90/262267990.db2.gz FBOVFUDKDKLHOE-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO CN1CCC(C[NH2+][C@@H]2COC(C)(C)C2)(N2CCOCC2)CC1 ZINC000418096848 262269632 /nfs/dbraw/zinc/26/96/32/262269632.db2.gz XOYHPJFZJGLPLT-HNNXBMFYSA-N 1 3 311.470 0.940 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000418829484 262291890 /nfs/dbraw/zinc/29/18/90/262291890.db2.gz GUMOFWXDGYELDI-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418932850 262299455 /nfs/dbraw/zinc/29/94/55/262299455.db2.gz HXOOKVDJGUUOSO-CZUORRHYSA-N 1 3 310.442 0.045 20 0 DCADHO NC[C@H]1CCCCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000419008225 262303951 /nfs/dbraw/zinc/30/39/51/262303951.db2.gz VHQDDLNMAGWGBS-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO CN(CCN)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419013728 262304832 /nfs/dbraw/zinc/30/48/32/262304832.db2.gz HGSGRJVNNXBARH-UHFFFAOYSA-N 1 3 318.421 0.316 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419080680 262307432 /nfs/dbraw/zinc/30/74/32/262307432.db2.gz PYONBCQNNAKUJM-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419125823 262310748 /nfs/dbraw/zinc/31/07/48/262310748.db2.gz USYUHHUNHMVOOP-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419153321 262313454 /nfs/dbraw/zinc/31/34/54/262313454.db2.gz PIEQXINXYWPZGX-OCCSQVGLSA-N 1 3 306.410 0.259 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419165530 262315821 /nfs/dbraw/zinc/31/58/21/262315821.db2.gz GNMFICDYMKOFHH-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419165530 262315822 /nfs/dbraw/zinc/31/58/22/262315822.db2.gz GNMFICDYMKOFHH-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419165415 262316047 /nfs/dbraw/zinc/31/60/47/262316047.db2.gz GIYZXDVEAYXOPU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419221514 262320287 /nfs/dbraw/zinc/32/02/87/262320287.db2.gz ATVFCQWADBZKEK-TZMCWYRMSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419418654 262331754 /nfs/dbraw/zinc/33/17/54/262331754.db2.gz IPZQPHCVFYPTSH-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419419999 262332221 /nfs/dbraw/zinc/33/22/21/262332221.db2.gz ZWZUBJYECKTQPQ-MCIONIFRSA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+]CCNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419425780 262333146 /nfs/dbraw/zinc/33/31/46/262333146.db2.gz PSIAAOOBCYJBPO-CQSZACIVSA-N 1 3 304.394 0.015 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419589776 262338781 /nfs/dbraw/zinc/33/87/81/262338781.db2.gz POEODEDMOGOGAQ-CQSZACIVSA-N 1 3 308.426 0.013 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419595408 262339383 /nfs/dbraw/zinc/33/93/83/262339383.db2.gz WQFZFRZXHZQPHW-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])C1=CCN(C)CC1 ZINC000419619834 262342635 /nfs/dbraw/zinc/34/26/35/262342635.db2.gz BVACSIKZLGBCKE-IPYPFGDCSA-N 1 3 322.453 0.339 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])C1=CCN(C)CC1 ZINC000419619837 262342673 /nfs/dbraw/zinc/34/26/73/262342673.db2.gz BVACSIKZLGBCKE-KCQAQPDRSA-N 1 3 322.453 0.339 20 0 DCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419701234 262347662 /nfs/dbraw/zinc/34/76/62/262347662.db2.gz YWJQJAISZRIYQX-CXAGYDPISA-N 1 3 322.453 0.317 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000419875040 262351315 /nfs/dbraw/zinc/35/13/15/262351315.db2.gz OCAGIRKSMLKBPN-UHFFFAOYSA-N 1 3 324.400 0.052 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419964465 262354497 /nfs/dbraw/zinc/35/44/97/262354497.db2.gz WFJDATJUUNOLIS-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420051733 262357841 /nfs/dbraw/zinc/35/78/41/262357841.db2.gz CFSXXWNOORJWQJ-HNNXBMFYSA-N 1 3 324.469 0.420 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000420142348 262363099 /nfs/dbraw/zinc/36/30/99/262363099.db2.gz IOCMYHWFHOHBPP-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000420142348 262363101 /nfs/dbraw/zinc/36/31/01/262363101.db2.gz IOCMYHWFHOHBPP-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000420151656 262364061 /nfs/dbraw/zinc/36/40/61/262364061.db2.gz YPGUWQVZVDLYHV-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000420151656 262364062 /nfs/dbraw/zinc/36/40/62/262364062.db2.gz YPGUWQVZVDLYHV-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)C[C@H](O)CN ZINC000420349211 262369791 /nfs/dbraw/zinc/36/97/91/262369791.db2.gz CCHPRNSZIZBMJV-OAHLLOKOSA-N 1 3 318.425 0.762 20 0 DCADHO C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)C[C@H](O)CN ZINC000420349211 262369793 /nfs/dbraw/zinc/36/97/93/262369793.db2.gz CCHPRNSZIZBMJV-OAHLLOKOSA-N 1 3 318.425 0.762 20 0 DCADHO CN(CCCCCn1nnc(-c2ccccc2)n1)C[C@H](O)C[NH3+] ZINC000420349211 262369795 /nfs/dbraw/zinc/36/97/95/262369795.db2.gz CCHPRNSZIZBMJV-OAHLLOKOSA-N 1 3 318.425 0.762 20 0 DCADHO O=S1(=O)CCCN1[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000420364172 262371079 /nfs/dbraw/zinc/37/10/79/262371079.db2.gz CTTVDFRMOZXSOQ-OAHLLOKOSA-N 1 3 315.483 0.876 20 0 DCADHO COC(=O)c1cccc(OCCN2CCC(O)(C[NH3+])CC2)c1 ZINC000420409222 262373985 /nfs/dbraw/zinc/37/39/85/262373985.db2.gz YDEGONNQTSMFHD-UHFFFAOYSA-N 1 3 308.378 0.638 20 0 DCADHO C[NH2+]CCCNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418279968 271239910 /nfs/dbraw/zinc/23/99/10/271239910.db2.gz QMBJWYFNHHJPBS-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H](C)C[NH3+] ZINC000418469047 271247805 /nfs/dbraw/zinc/24/78/05/271247805.db2.gz AZZCRPRBOLKVLY-HNNXBMFYSA-N 1 3 313.490 0.640 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419032852 271269799 /nfs/dbraw/zinc/26/97/99/271269799.db2.gz XKTDTQQLPYLFQU-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419033725 271270029 /nfs/dbraw/zinc/27/00/29/271270029.db2.gz YXFUXZCADJPXTH-QVHKTLOISA-N 1 3 324.469 0.323 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@H]1C[NH3+] ZINC000419247549 271277915 /nfs/dbraw/zinc/27/79/15/271277915.db2.gz XFFCYXYZQRDADQ-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419401865 271288402 /nfs/dbraw/zinc/28/84/02/271288402.db2.gz BGNKAGWKYFEYJA-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419530427 271298516 /nfs/dbraw/zinc/29/85/16/271298516.db2.gz ZHUPUNJROKZIQK-CJNGLKHVSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@H]1CCCCN1CC)[C@H]1CC[NH2+]C1 ZINC000419577335 271309278 /nfs/dbraw/zinc/30/92/78/271309278.db2.gz CWNFGNFWTLGHGF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N(C)C1CC1 ZINC000419580916 271311672 /nfs/dbraw/zinc/31/16/72/271311672.db2.gz HYHHMPLJMAPXPC-DYEKYZERSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419667447 271319361 /nfs/dbraw/zinc/31/93/61/271319361.db2.gz AKRKTXFHBUWHBR-HUUCEWRRSA-N 1 3 324.469 0.467 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420015037 271351033 /nfs/dbraw/zinc/35/10/33/271351033.db2.gz KUARVXGYOTWWPB-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1N(C)C ZINC000420171929 271361871 /nfs/dbraw/zinc/36/18/71/271361871.db2.gz UQFDGNAQHOZCHC-MCIONIFRSA-N 1 3 324.469 0.289 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420168242 271361912 /nfs/dbraw/zinc/36/19/12/271361912.db2.gz KVGPYDNWUTZSCO-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)CC1 ZINC000424065350 271396416 /nfs/dbraw/zinc/39/64/16/271396416.db2.gz FBFIRQUFIWATHR-OAGGEKHMSA-N 1 3 310.486 0.846 20 0 DCADHO COc1cc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])ccc1OCCN(C)C ZINC000424129596 271399271 /nfs/dbraw/zinc/39/92/71/271399271.db2.gz GFTAJDWWRSOMMM-OLZOCXBDSA-N 1 3 307.394 0.599 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000459981605 272022121 /nfs/dbraw/zinc/02/21/21/272022121.db2.gz BQJSUTSVKLLCMA-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459981605 272022123 /nfs/dbraw/zinc/02/21/23/272022123.db2.gz BQJSUTSVKLLCMA-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(CNC(=O)/C=C/CN(C)C)CNC(=O)/C=C\C[NH+](C)C ZINC000492973409 272161352 /nfs/dbraw/zinc/16/13/52/272161352.db2.gz NMPGGTPCEJWDEL-MKKAVFGOSA-N 1 3 310.442 0.091 20 0 DCADHO CC(CNC(=O)/C=C/C[NH+](C)C)CNC(=O)/C=C\CN(C)C ZINC000492973409 272161354 /nfs/dbraw/zinc/16/13/54/272161354.db2.gz NMPGGTPCEJWDEL-MKKAVFGOSA-N 1 3 310.442 0.091 20 0 DCADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@](C)(O)CNC)C1 ZINC000496679386 272334377 /nfs/dbraw/zinc/33/43/77/272334377.db2.gz RYUSBJGJRHACNG-IPYPFGDCSA-N 1 3 301.431 0.803 20 0 DCADHO CCOC(=O)N1CCC[C@H]([C@@H](C)NC[C@@](C)(O)C[NH2+]C)C1 ZINC000496679386 272334380 /nfs/dbraw/zinc/33/43/80/272334380.db2.gz RYUSBJGJRHACNG-IPYPFGDCSA-N 1 3 301.431 0.803 20 0 DCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511158486 272396397 /nfs/dbraw/zinc/39/63/97/272396397.db2.gz UVKGWEATIXUGHR-VWYCJHECSA-N 1 3 310.364 0.312 20 0 DCADHO C[NH2+]CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262146035 277264180 /nfs/dbraw/zinc/26/41/80/277264180.db2.gz MWKXGJPVAXOWSU-INIZCTEOSA-N 1 3 304.438 0.701 20 0 DCADHO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000338304065 279124834 /nfs/dbraw/zinc/12/48/34/279124834.db2.gz HXLODICFGVGLRX-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351687850 279307616 /nfs/dbraw/zinc/30/76/16/279307616.db2.gz WRDRLTXCNOWMEJ-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3COC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000340274439 288157496 /nfs/dbraw/zinc/15/74/96/288157496.db2.gz CCIOJYZWQZXPPR-MUIFIZLQSA-N 1 3 312.454 0.957 20 0 DCADHO CC(C)N1CCN([C@@H]2CC[N@H+](CCN3CCO[C@H](C)C3)C2)CC1 ZINC000548776837 288175773 /nfs/dbraw/zinc/17/57/73/288175773.db2.gz KNZGZTHAVVFXDE-QZTJIDSGSA-N 1 3 324.513 0.807 20 0 DCADHO CC(C)N1CCN([C@@H]2CC[N@@H+](CCN3CCO[C@H](C)C3)C2)CC1 ZINC000548776837 288175778 /nfs/dbraw/zinc/17/57/78/288175778.db2.gz KNZGZTHAVVFXDE-QZTJIDSGSA-N 1 3 324.513 0.807 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419500789 280097703 /nfs/dbraw/zinc/09/77/03/280097703.db2.gz AEDBHYVEEBQSHH-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CN(CCC2CC[NH+]([C@H]3COC[C@H]3O)CC2)C[C@H](C)O1 ZINC000550680147 288218091 /nfs/dbraw/zinc/21/80/91/288218091.db2.gz CCIOJYZWQZXPPR-HDEZJCGLSA-N 1 3 312.454 0.957 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000552500594 288276544 /nfs/dbraw/zinc/27/65/44/288276544.db2.gz FLNWCWODAGOUCT-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000278298332 294419263 /nfs/dbraw/zinc/41/92/63/294419263.db2.gz RQVZIFBMCHHARP-HNNXBMFYSA-N 1 3 305.422 0.566 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)C[C@H]2CSCCN2)CC1 ZINC000580187871 332993223 /nfs/dbraw/zinc/99/32/23/332993223.db2.gz GLASGNAOCVIWJJ-UONOGXRCSA-N 1 3 315.483 0.291 20 0 DCADHO O=S1(=O)CCN(C2CCN(CC3CC[NH2+]CC3)CC2)CC1 ZINC000583024926 337226662 /nfs/dbraw/zinc/22/66/62/337226662.db2.gz LXKGTHHRTOBEPA-UHFFFAOYSA-N 1 3 315.483 0.181 20 0 DCADHO CNC[C@@H](O)C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000583322587 337315716 /nfs/dbraw/zinc/31/57/16/337315716.db2.gz PIDHRECSIUBEBQ-OLZOCXBDSA-N 1 3 302.802 0.387 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000577630624 341925733 /nfs/dbraw/zinc/92/57/33/341925733.db2.gz QTWVPFMMGTUUKJ-NVXWUHKLSA-N 1 3 302.422 0.971 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC)C(N)=O ZINC001568970226 1160904565 /nfs/dbraw/zinc/90/45/65/1160904565.db2.gz VPZPBIWOIGIASL-HYLRALAJSA-N 1 3 310.442 0.387 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)CC1=O ZINC000131436632 521769756 /nfs/dbraw/zinc/76/97/56/521769756.db2.gz NVEMKRNIAXVPSR-ZDUSSCGKSA-N 1 3 304.394 0.494 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CC[NH2+]C3)ccc2oc1=O ZINC000236990705 521817997 /nfs/dbraw/zinc/81/79/97/521817997.db2.gz MNAADEHMSUEVHX-LLVKDONJSA-N 1 3 318.377 0.704 20 0 DCADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc21 ZINC000237001426 521820417 /nfs/dbraw/zinc/82/04/17/521820417.db2.gz MEDPVSKZGXARLE-LSDHHAIUSA-N 1 3 316.405 0.864 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000127317232 524554788 /nfs/dbraw/zinc/55/47/88/524554788.db2.gz SSUBCHIMSMLRNY-MRXNPFEDSA-N 1 3 316.449 0.985 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332582885 528993308 /nfs/dbraw/zinc/99/33/08/528993308.db2.gz ISRFPACJKYTWPH-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000080079199 545687734 /nfs/dbraw/zinc/68/77/34/545687734.db2.gz LDKMUFCKBUGTTR-CQSZACIVSA-N 1 3 324.469 0.881 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000080079199 545687737 /nfs/dbraw/zinc/68/77/37/545687737.db2.gz LDKMUFCKBUGTTR-CQSZACIVSA-N 1 3 324.469 0.881 20 0 DCADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCC1 ZINC000237885607 545958087 /nfs/dbraw/zinc/95/80/87/545958087.db2.gz USMVEIGDLVMYSN-KBPBESRZSA-N 1 3 322.453 0.365 20 0 DCADHO C[C@H]([NH2+]CCOCCN(C)C)c1cccc(-n2cnnn2)c1 ZINC000318900057 546030380 /nfs/dbraw/zinc/03/03/80/546030380.db2.gz USKREKOTTUBUEZ-ZDUSSCGKSA-N 1 3 304.398 0.891 20 0 DCADHO O=C1NCCN1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000336867060 546099574 /nfs/dbraw/zinc/09/95/74/546099574.db2.gz QUWFCVJZDXQJNR-UHFFFAOYSA-N 1 3 310.442 0.588 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000342976501 546125151 /nfs/dbraw/zinc/12/51/51/546125151.db2.gz LVYOTQLLCBQIQO-KGLIPLIRSA-N 1 3 324.469 0.600 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000342983919 546125975 /nfs/dbraw/zinc/12/59/75/546125975.db2.gz HLGMVHLCKCWXIF-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000342983919 546125977 /nfs/dbraw/zinc/12/59/77/546125977.db2.gz HLGMVHLCKCWXIF-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCN(c2ncc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000414935944 546236313 /nfs/dbraw/zinc/23/63/13/546236313.db2.gz YYDJYTXVICYLII-HUUCEWRRSA-N 1 3 304.442 0.588 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000458026724 546264791 /nfs/dbraw/zinc/26/47/91/546264791.db2.gz YUILMLCJFPVJIL-LSDHHAIUSA-N 1 3 314.474 0.863 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000665761882 546396728 /nfs/dbraw/zinc/39/67/28/546396728.db2.gz SQINWIHRCWLGBV-MELADBBJSA-N 1 3 314.474 0.717 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000665761882 546396730 /nfs/dbraw/zinc/39/67/30/546396730.db2.gz SQINWIHRCWLGBV-MELADBBJSA-N 1 3 314.474 0.717 20 0 DCADHO COCC1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665762633 546397385 /nfs/dbraw/zinc/39/73/85/546397385.db2.gz LFHFUQJEDIBBQA-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO COCC1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665762633 546397388 /nfs/dbraw/zinc/39/73/88/546397388.db2.gz LFHFUQJEDIBBQA-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO COC[C@H]1CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762983 546397819 /nfs/dbraw/zinc/39/78/19/546397819.db2.gz WNGAOQRNACRBFU-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO COC[C@H]1CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762983 546397822 /nfs/dbraw/zinc/39/78/22/546397822.db2.gz WNGAOQRNACRBFU-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nccn1C ZINC000667255632 546579012 /nfs/dbraw/zinc/57/90/12/546579012.db2.gz UYHRIWUODWPSOO-ZDUSSCGKSA-N 1 3 310.446 0.616 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000667812122 546656536 /nfs/dbraw/zinc/65/65/36/546656536.db2.gz FBAQANGJDRVXPQ-CAOSSQGBSA-N 1 3 309.454 0.753 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000667812122 546656539 /nfs/dbraw/zinc/65/65/39/546656539.db2.gz FBAQANGJDRVXPQ-CAOSSQGBSA-N 1 3 309.454 0.753 20 0 DCADHO CCN(C(=O)C(=O)NC1CC[NH+](CC)CC1)[C@H]1CCN(CC)C1 ZINC000668374322 546746611 /nfs/dbraw/zinc/74/66/11/546746611.db2.gz YUYGYFZLFBZELL-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668894545 546875442 /nfs/dbraw/zinc/87/54/42/546875442.db2.gz YUCXDUPEGVDVCD-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668894545 546875446 /nfs/dbraw/zinc/87/54/46/546875446.db2.gz YUCXDUPEGVDVCD-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000669529291 546985263 /nfs/dbraw/zinc/98/52/63/546985263.db2.gz LCLLREAUFGYJER-GOEBONIOSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCO1 ZINC000669570882 546993122 /nfs/dbraw/zinc/99/31/22/546993122.db2.gz GOSYJXVPDMSZBC-OAGGEKHMSA-N 1 3 324.469 0.738 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000669692733 547007559 /nfs/dbraw/zinc/00/75/59/547007559.db2.gz KODMXVBLOVBMMU-INIZCTEOSA-N 1 3 306.458 0.941 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000669692733 547007562 /nfs/dbraw/zinc/00/75/62/547007562.db2.gz KODMXVBLOVBMMU-INIZCTEOSA-N 1 3 306.458 0.941 20 0 DCADHO O=C(NCCN1CCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673632247 547507725 /nfs/dbraw/zinc/50/77/25/547507725.db2.gz UPVKVFAZBMXWDZ-SFHVURJKSA-N 1 3 317.433 0.835 20 0 DCADHO O=C(NCCN1CCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673632247 547507727 /nfs/dbraw/zinc/50/77/27/547507727.db2.gz UPVKVFAZBMXWDZ-SFHVURJKSA-N 1 3 317.433 0.835 20 0 DCADHO CC[N@H+](CCNC(=O)NCCN1CCC(OC)CC1)C1CC1 ZINC000674328682 547581724 /nfs/dbraw/zinc/58/17/24/547581724.db2.gz RTWOPPGTCYORNM-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@@H+](CCNC(=O)NCCN1CCC(OC)CC1)C1CC1 ZINC000674328682 547581725 /nfs/dbraw/zinc/58/17/25/547581725.db2.gz RTWOPPGTCYORNM-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c2c(nn1C)CCCC2 ZINC000675782302 547708827 /nfs/dbraw/zinc/70/88/27/547708827.db2.gz DNSQTANMMIEIPY-UHFFFAOYSA-N 1 3 321.469 0.864 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](N[C@@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC000678770241 548003162 /nfs/dbraw/zinc/00/31/62/548003162.db2.gz FADNXZJCKXEWEH-UONOGXRCSA-N 1 3 315.483 0.322 20 0 DCADHO C[C@@](O)(CO)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684536385 548620514 /nfs/dbraw/zinc/62/05/14/548620514.db2.gz CQPATICPOURJHA-KRWDZBQOSA-N 1 3 308.422 0.994 20 0 DCADHO CC(C)OC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346174 667512745 /nfs/dbraw/zinc/51/27/45/667512745.db2.gz QDABKPUOTIALLW-KGLIPLIRSA-N 1 3 301.431 0.092 20 0 DCADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CCCN1CCO ZINC001028048481 661101098 /nfs/dbraw/zinc/10/10/98/661101098.db2.gz GCGARZHZYABJTR-INIZCTEOSA-N 1 3 319.449 0.977 20 0 DCADHO O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC2(C1)CCCN(CCO)C2 ZINC000981767090 661213435 /nfs/dbraw/zinc/21/34/35/661213435.db2.gz HUVCXJODXXTJPY-HOTGVXAUSA-N 1 3 321.465 0.778 20 0 DCADHO O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC2(C1)CCCN(CCO)C2 ZINC000981767090 661213436 /nfs/dbraw/zinc/21/34/36/661213436.db2.gz HUVCXJODXXTJPY-HOTGVXAUSA-N 1 3 321.465 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CCCO)C3)CCC1 ZINC000981810311 661222227 /nfs/dbraw/zinc/22/22/27/661222227.db2.gz OXNYZALKILAAOQ-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CCCO)C3)CCC1 ZINC000981810311 661222229 /nfs/dbraw/zinc/22/22/29/661222229.db2.gz OXNYZALKILAAOQ-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1)[NH+](C)C ZINC001032609697 665419290 /nfs/dbraw/zinc/41/92/90/665419290.db2.gz GPGVCQPLKDKRBD-FXUDXRNXSA-N 1 3 309.454 0.894 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000891574818 657491531 /nfs/dbraw/zinc/49/15/31/657491531.db2.gz BURQOOFNXXNUNF-LXTVHRRPSA-N 1 3 310.442 0.537 20 0 DCADHO CCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000891604457 657515746 /nfs/dbraw/zinc/51/57/46/657515746.db2.gz YNTWQOSLTRKPPH-GJZGRUSLSA-N 1 3 311.474 0.263 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC000971801976 657715020 /nfs/dbraw/zinc/71/50/20/657715020.db2.gz XCHWUQCRQSSDGJ-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971801976 657715031 /nfs/dbraw/zinc/71/50/31/657715031.db2.gz XCHWUQCRQSSDGJ-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000998726063 665513415 /nfs/dbraw/zinc/51/34/15/665513415.db2.gz YQUHBDAIILTDLS-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000969408301 657822565 /nfs/dbraw/zinc/82/25/65/657822565.db2.gz JDLPJMOCRLWIMB-DGNOSDGRSA-N 1 3 305.422 0.450 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000939212322 665518574 /nfs/dbraw/zinc/51/85/74/665518574.db2.gz YGLHGSCZIIFZIU-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC000969588596 658003810 /nfs/dbraw/zinc/00/38/10/658003810.db2.gz OMULOAVQEBXDGT-RBSFLKMASA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCN(C)C3=O)C2)CC[N@@H+]1C ZINC000969723396 658107312 /nfs/dbraw/zinc/10/73/12/658107312.db2.gz XYENJVHWZDSYHQ-XQLPTFJDSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC000969723396 658107317 /nfs/dbraw/zinc/10/73/17/658107317.db2.gz XYENJVHWZDSYHQ-XQLPTFJDSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001020586604 658162481 /nfs/dbraw/zinc/16/24/81/658162481.db2.gz STPAOWAHRGHKKS-JHJVBQTASA-N 1 3 306.414 0.036 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020593178 658177531 /nfs/dbraw/zinc/17/75/31/658177531.db2.gz YHIHIZHVDRTKDQ-NGFQHRJXSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020593178 658177536 /nfs/dbraw/zinc/17/75/36/658177536.db2.gz YHIHIZHVDRTKDQ-NGFQHRJXSA-N 1 3 317.437 0.720 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)C1 ZINC001023750194 658201320 /nfs/dbraw/zinc/20/13/20/658201320.db2.gz HELZGHXIKBYPSC-LSDHHAIUSA-N 1 3 320.441 0.058 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)C1 ZINC001023750194 658201327 /nfs/dbraw/zinc/20/13/27/658201327.db2.gz HELZGHXIKBYPSC-LSDHHAIUSA-N 1 3 320.441 0.058 20 0 DCADHO C[C@@H](O)CN1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969946614 658283275 /nfs/dbraw/zinc/28/32/75/658283275.db2.gz CPHCGGABIWYSDT-KGLIPLIRSA-N 1 3 309.454 0.680 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC000969951947 658290178 /nfs/dbraw/zinc/29/01/78/658290178.db2.gz SPHBRLCNUAKCAZ-CZUORRHYSA-N 1 3 317.437 0.960 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC000969951947 658290184 /nfs/dbraw/zinc/29/01/84/658290184.db2.gz SPHBRLCNUAKCAZ-CZUORRHYSA-N 1 3 317.437 0.960 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001023889241 658296550 /nfs/dbraw/zinc/29/65/50/658296550.db2.gz MQFCLGBTYORMGO-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC001022714746 658362453 /nfs/dbraw/zinc/36/24/53/658362453.db2.gz ZWNRJCJVPALQIB-BMFZPTHFSA-N 1 3 319.453 0.541 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022715788 658365729 /nfs/dbraw/zinc/36/57/29/658365729.db2.gz MTCOQWLNNZQLAD-VBNZEHGJSA-N 1 3 319.453 0.807 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022721377 658387947 /nfs/dbraw/zinc/38/79/47/658387947.db2.gz WOOMFEWGLOCDKZ-CXTNEJHOSA-N 1 3 320.441 0.233 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022721377 658387950 /nfs/dbraw/zinc/38/79/50/658387950.db2.gz WOOMFEWGLOCDKZ-CXTNEJHOSA-N 1 3 320.441 0.233 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022721431 658392160 /nfs/dbraw/zinc/39/21/60/658392160.db2.gz XCEVYCCQWJTJJO-HPEDKQMDSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022721431 658392173 /nfs/dbraw/zinc/39/21/73/658392173.db2.gz XCEVYCCQWJTJJO-HPEDKQMDSA-N 1 3 306.410 0.918 20 0 DCADHO Cn1cc(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000971201067 658402424 /nfs/dbraw/zinc/40/24/24/658402424.db2.gz LHMRGGHYKGYNMJ-HZPDHXFCSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1cc(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000971201067 658402430 /nfs/dbraw/zinc/40/24/30/658402430.db2.gz LHMRGGHYKGYNMJ-HZPDHXFCSA-N 1 3 319.453 0.590 20 0 DCADHO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517580 665580143 /nfs/dbraw/zinc/58/01/43/665580143.db2.gz IZEHULTTWHCCLL-XHSDSOJGSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517580 665580144 /nfs/dbraw/zinc/58/01/44/665580144.db2.gz IZEHULTTWHCCLL-XHSDSOJGSA-N 1 3 309.454 0.897 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020928279 658590152 /nfs/dbraw/zinc/59/01/52/658590152.db2.gz APDAKCODRPLQOJ-AVGNSLFASA-N 1 3 323.466 0.925 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020928279 658590159 /nfs/dbraw/zinc/59/01/59/658590159.db2.gz APDAKCODRPLQOJ-AVGNSLFASA-N 1 3 323.466 0.925 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001021895986 658627658 /nfs/dbraw/zinc/62/76/58/658627658.db2.gz STAYCKZJRDLNGR-SCRDCRAPSA-N 1 3 306.414 0.129 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)C[NH2+]1 ZINC000892290291 658630717 /nfs/dbraw/zinc/63/07/17/658630717.db2.gz IWGALICPEYRJID-LSDHHAIUSA-N 1 3 323.485 0.548 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000970177863 658701074 /nfs/dbraw/zinc/70/10/74/658701074.db2.gz JENKXTCXWGIAMN-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021096470 658765228 /nfs/dbraw/zinc/76/52/28/658765228.db2.gz ULQVHPDOJJQDNB-TUVASFSCSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032676229 665607721 /nfs/dbraw/zinc/60/77/21/665607721.db2.gz LADNWKWURRUKKF-HOTGVXAUSA-N 1 3 319.453 0.999 20 0 DCADHO CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001025024211 658856386 /nfs/dbraw/zinc/85/63/86/658856386.db2.gz HQUJZCJMUVCWME-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000891514190 658898946 /nfs/dbraw/zinc/89/89/46/658898946.db2.gz NRSAHUGJMWNGEW-WJEHIRDRSA-N 1 3 308.426 0.515 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[NH2+]CCC12CCC2 ZINC000891514185 658899614 /nfs/dbraw/zinc/89/96/14/658899614.db2.gz NRIQRLFJASJNLS-HUUCEWRRSA-N 1 3 322.453 0.777 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001023025001 658919758 /nfs/dbraw/zinc/91/97/58/658919758.db2.gz QHJQHYMUFXSAMI-MELADBBJSA-N 1 3 306.410 0.924 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001027139142 658994378 /nfs/dbraw/zinc/99/43/78/658994378.db2.gz BHFOTRZURQQWBM-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)C1 ZINC000999403545 665641053 /nfs/dbraw/zinc/64/10/53/665641053.db2.gz QVVIRFPMGBXOJT-NFOMZHRRSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC000999481103 665650040 /nfs/dbraw/zinc/65/00/40/665650040.db2.gz ARMMNOOQYDYXSJ-HUUCEWRRSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000936280475 659419744 /nfs/dbraw/zinc/41/97/44/659419744.db2.gz SRVDKQDFXVMIKE-YRGRVCCFSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000936280475 659419746 /nfs/dbraw/zinc/41/97/46/659419746.db2.gz SRVDKQDFXVMIKE-YRGRVCCFSA-N 1 3 319.409 0.010 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1F ZINC000892754399 659431331 /nfs/dbraw/zinc/43/13/31/659431331.db2.gz AYVMKPJFMBULSR-JHJVBQTASA-N 1 3 314.405 0.226 20 0 DCADHO [NH3+][C@@H]1C[C@H](NCC2(N3CCOCC3)CCOCC2)C12CCC2 ZINC000925689113 659480841 /nfs/dbraw/zinc/48/08/41/659480841.db2.gz AZHXRVZHKWNWFS-CABCVRRESA-N 1 3 309.454 0.727 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026727077 659481577 /nfs/dbraw/zinc/48/15/77/659481577.db2.gz JMXZKCHJNTZRSV-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO COCCN1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974579886 659583945 /nfs/dbraw/zinc/58/39/45/659583945.db2.gz WJJBCMRWRULQBU-CABCVRRESA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001019820676 659619505 /nfs/dbraw/zinc/61/95/05/659619505.db2.gz UBDAUIRKAPEMBI-ZFWWWQNUSA-N 1 3 305.422 0.933 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019822975 659621304 /nfs/dbraw/zinc/62/13/04/659621304.db2.gz UBRHPNQYYDKEND-LSDHHAIUSA-N 1 3 320.441 0.343 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CNCc2nncn2C)C1)[NH+](C)C ZINC001026900986 659629885 /nfs/dbraw/zinc/62/98/85/659629885.db2.gz HEVMOXZAGSBJLZ-ZFWWWQNUSA-N 1 3 322.457 0.339 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999845915 665690971 /nfs/dbraw/zinc/69/09/71/665690971.db2.gz AHXZTCOPRJQOEU-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999845915 665690973 /nfs/dbraw/zinc/69/09/73/665690973.db2.gz AHXZTCOPRJQOEU-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001026916163 659641328 /nfs/dbraw/zinc/64/13/28/659641328.db2.gz BZUNYOOJJZFEDN-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1)N(C)C ZINC001026917081 659641525 /nfs/dbraw/zinc/64/15/25/659641525.db2.gz VLTMHTJWDOIEAC-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000999850736 665691939 /nfs/dbraw/zinc/69/19/39/665691939.db2.gz GMPNDLTUZPRBDE-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000999850736 665691940 /nfs/dbraw/zinc/69/19/40/665691940.db2.gz GMPNDLTUZPRBDE-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC1(C)CN(CCCO)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000974771241 659663605 /nfs/dbraw/zinc/66/36/05/659663605.db2.gz FEDCJXSUKJMGCQ-CQSZACIVSA-N 1 3 309.454 0.824 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999833048 665695722 /nfs/dbraw/zinc/69/57/22/665695722.db2.gz LBVWRZVQVQUNGS-UHFFFAOYSA-N 1 3 319.453 0.903 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000974943137 659738251 /nfs/dbraw/zinc/73/82/51/659738251.db2.gz DQGDCOQOAWJLNQ-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000974943137 659738256 /nfs/dbraw/zinc/73/82/56/659738256.db2.gz DQGDCOQOAWJLNQ-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001027063799 659761072 /nfs/dbraw/zinc/76/10/72/659761072.db2.gz SESKUNFWHAOTQJ-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cncn3C)C2)C1 ZINC001027064787 659761656 /nfs/dbraw/zinc/76/16/56/659761656.db2.gz KNCGEMANJBOZQK-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3cn(C)nn3)C2)C1 ZINC001027064696 659762444 /nfs/dbraw/zinc/76/24/44/659762444.db2.gz JCIWRWBXDCQZTM-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3cn(C)nn3)C2)C1 ZINC001027064696 659762447 /nfs/dbraw/zinc/76/24/47/659762447.db2.gz JCIWRWBXDCQZTM-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccnn3C)C2)C1 ZINC001027064546 659762514 /nfs/dbraw/zinc/76/25/14/659762514.db2.gz GSPZDDQWXKXEFZ-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001000188992 665768726 /nfs/dbraw/zinc/76/87/26/665768726.db2.gz BWSZRCGMDCIQAN-HUUCEWRRSA-N 1 3 320.441 0.343 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001000215912 665785799 /nfs/dbraw/zinc/78/57/99/665785799.db2.gz BUDNBCAWHHGVCY-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001000220795 665786166 /nfs/dbraw/zinc/78/61/66/665786166.db2.gz UVFQDZONUIDFCC-HOTGVXAUSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000940525585 665791805 /nfs/dbraw/zinc/79/18/05/665791805.db2.gz HSILRBUHXBROOF-RRFJBIMHSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000940525585 665791807 /nfs/dbraw/zinc/79/18/07/665791807.db2.gz HSILRBUHXBROOF-RRFJBIMHSA-N 1 3 324.469 0.241 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000925011614 661881432 /nfs/dbraw/zinc/88/14/32/661881432.db2.gz CIXGKBLRCJSAJN-UONOGXRCSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C2CCCCC2)C1=O ZINC000925011614 661881434 /nfs/dbraw/zinc/88/14/34/661881434.db2.gz CIXGKBLRCJSAJN-UONOGXRCSA-N 1 3 308.426 0.875 20 0 DCADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1cnc[nH]1 ZINC000894358481 661924761 /nfs/dbraw/zinc/92/47/61/661924761.db2.gz FXLJHWCKTGELOF-INIZCTEOSA-N 1 3 315.421 0.788 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001000322885 665819734 /nfs/dbraw/zinc/81/97/34/665819734.db2.gz FPXZNEUPLAFLOU-KBPBESRZSA-N 1 3 306.410 0.959 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000895602749 662197798 /nfs/dbraw/zinc/19/77/98/662197798.db2.gz DHETWDDLGQLDLY-QKPAOTATSA-N 1 3 324.469 0.567 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1C[NH+](C2CCOCC2)C1 ZINC000895989908 662233228 /nfs/dbraw/zinc/23/32/28/662233228.db2.gz FBBOCTHUNWVVEH-HZPDHXFCSA-N 1 3 323.437 0.077 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC000984802893 662317954 /nfs/dbraw/zinc/31/79/54/662317954.db2.gz FEECBHRLONYAMR-AJNGGQMLSA-N 1 3 322.453 0.234 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985459141 662454796 /nfs/dbraw/zinc/45/47/96/662454796.db2.gz HXIUTSQBBYXRJQ-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985459141 662454797 /nfs/dbraw/zinc/45/47/97/662454797.db2.gz HXIUTSQBBYXRJQ-CQSZACIVSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568952 662482637 /nfs/dbraw/zinc/48/26/37/662482637.db2.gz RYZLAPPHRSDRQB-CYBMUJFWSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985752671 662508634 /nfs/dbraw/zinc/50/86/34/662508634.db2.gz ZENSSVRYMKXKLB-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985752671 662508635 /nfs/dbraw/zinc/50/86/35/662508635.db2.gz ZENSSVRYMKXKLB-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904448 662554060 /nfs/dbraw/zinc/55/40/60/662554060.db2.gz WLDLYXVQCVKPMP-JKSUJKDBSA-N 1 3 309.454 0.899 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904448 662554061 /nfs/dbraw/zinc/55/40/61/662554061.db2.gz WLDLYXVQCVKPMP-JKSUJKDBSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H]1[C@@H](NCCF)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000986298213 662581083 /nfs/dbraw/zinc/58/10/83/662581083.db2.gz IDLKQRJLZGBXNE-STQMWFEESA-N 1 3 311.405 0.607 20 0 DCADHO C[C@@H]1[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN(C)C1CCC1 ZINC000986353012 662585531 /nfs/dbraw/zinc/58/55/31/662585531.db2.gz HWJXUEYFLKMXDY-CZUORRHYSA-N 1 3 319.453 0.983 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2CCC[C@H](NCCF)C2)CC1 ZINC001000572915 665884954 /nfs/dbraw/zinc/88/49/54/665884954.db2.gz PCWAYKWEQNXEDR-ZDUSSCGKSA-N 1 3 301.406 0.647 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000688720 665909632 /nfs/dbraw/zinc/90/96/32/665909632.db2.gz MPOILYYPAPJZHJ-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000688720 665909634 /nfs/dbraw/zinc/90/96/34/665909634.db2.gz MPOILYYPAPJZHJ-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001030019300 662855109 /nfs/dbraw/zinc/85/51/09/662855109.db2.gz KHKFPIKYNKJFRU-IHRRRGAJSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@H]1C[C@H](NCc2ccnn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391411 662909664 /nfs/dbraw/zinc/90/96/64/662909664.db2.gz RYFYKPKHLGAMDJ-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO CCOC(=O)N1C[C@H](CO)[C@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000898350461 662950130 /nfs/dbraw/zinc/95/01/30/662950130.db2.gz ITKRUIDYIXWTIQ-IUODEOHRSA-N 1 3 311.426 0.652 20 0 DCADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000989561378 662959700 /nfs/dbraw/zinc/95/97/00/662959700.db2.gz CBUQSVJMNQIMMN-IUODEOHRSA-N 1 3 318.421 0.426 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)CC1 ZINC000989634361 662966766 /nfs/dbraw/zinc/96/67/66/662966766.db2.gz BSTVKZVLWXBAHX-GXTWGEPZSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001000767231 665922463 /nfs/dbraw/zinc/92/24/63/665922463.db2.gz MRMOWFACZDRJQG-MRXNPFEDSA-N 1 3 309.454 0.705 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001000767231 665922464 /nfs/dbraw/zinc/92/24/64/665922464.db2.gz MRMOWFACZDRJQG-MRXNPFEDSA-N 1 3 309.454 0.705 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000938193703 663155381 /nfs/dbraw/zinc/15/53/81/663155381.db2.gz SXFHBHMNCAJRCG-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000938195744 663193965 /nfs/dbraw/zinc/19/39/65/663193965.db2.gz JRSVFNRMJXIAGS-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903770512 663481455 /nfs/dbraw/zinc/48/14/55/663481455.db2.gz FXXDKUMFMCYYJI-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)NC(=O)CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878715 663491862 /nfs/dbraw/zinc/49/18/62/663491862.db2.gz XHAIZJWJCUWGBX-MQVJKMGUSA-N 1 3 308.470 0.659 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCN(CC3CC3)CC2)cnn1C ZINC000903885308 663492639 /nfs/dbraw/zinc/49/26/39/663492639.db2.gz KWAJUKHYEUGUSE-MRXNPFEDSA-N 1 3 305.470 0.874 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN[C@H]2CNCCC2(F)F)cnn1C ZINC000903918629 663495520 /nfs/dbraw/zinc/49/55/20/663495520.db2.gz CZSRFJFUELOSIS-YPMHNXCESA-N 1 3 301.385 0.433 20 0 DCADHO Cc1c(C[C@@H](CN)C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cnn1C ZINC000903929472 663496350 /nfs/dbraw/zinc/49/63/50/663496350.db2.gz GIFLSMALOGZHQV-GOEBONIOSA-N 1 3 321.469 0.835 20 0 DCADHO Cc1c(C[C@@H](CN)C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cnn1C ZINC000903929472 663496351 /nfs/dbraw/zinc/49/63/51/663496351.db2.gz GIFLSMALOGZHQV-GOEBONIOSA-N 1 3 321.469 0.835 20 0 DCADHO O=S1(=O)CCNC[C@@H]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000903970450 663498571 /nfs/dbraw/zinc/49/85/71/663498571.db2.gz XJTFCRDZPSYJLU-XQLPTFJDSA-N 1 3 315.483 0.273 20 0 DCADHO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@@H]21 ZINC000903986115 663499983 /nfs/dbraw/zinc/49/99/83/663499983.db2.gz FWPDOFRXOCGDST-HGTKMLMNSA-N 1 3 323.437 0.315 20 0 DCADHO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@@H]21 ZINC000903986115 663499984 /nfs/dbraw/zinc/49/99/84/663499984.db2.gz FWPDOFRXOCGDST-HGTKMLMNSA-N 1 3 323.437 0.315 20 0 DCADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000905006965 663523188 /nfs/dbraw/zinc/52/31/88/663523188.db2.gz KDFBCYHYRWCNNN-CKEIUWERSA-N 1 3 320.437 0.023 20 0 DCADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)C1(O)CCOCC1 ZINC000905154312 663533934 /nfs/dbraw/zinc/53/39/34/663533934.db2.gz JJGQGLCNKXGVQV-MRXNPFEDSA-N 1 3 312.454 0.885 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001000991554 665976756 /nfs/dbraw/zinc/97/67/56/665976756.db2.gz HTMXREDEZQMZLZ-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000906698450 663632915 /nfs/dbraw/zinc/63/29/15/663632915.db2.gz ZHIMNTLOCJZUPO-UHFFFAOYSA-N 1 3 320.393 0.303 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000910553098 663904533 /nfs/dbraw/zinc/90/45/33/663904533.db2.gz DBMRWHSCMIGEIE-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CCCCC1 ZINC000910946832 663961491 /nfs/dbraw/zinc/96/14/91/663961491.db2.gz QAWKIGWSGJXRJP-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911056034 663973501 /nfs/dbraw/zinc/97/35/01/663973501.db2.gz SPEXVUCMCXKHIQ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911030473 663973779 /nfs/dbraw/zinc/97/37/79/663973779.db2.gz XKTDTQQLPYLFQU-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911163815 663996435 /nfs/dbraw/zinc/99/64/35/663996435.db2.gz ZKOPNZFXCDAIRP-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911208135 664005391 /nfs/dbraw/zinc/00/53/91/664005391.db2.gz JRGVLZJBCCQXKS-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000911295428 664021023 /nfs/dbraw/zinc/02/10/23/664021023.db2.gz FWDGKGYHLUCNRE-CQSZACIVSA-N 1 3 324.469 0.468 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000911335868 664030224 /nfs/dbraw/zinc/03/02/24/664030224.db2.gz BUYOSQQEEYFLJP-IHRRRGAJSA-N 1 3 310.442 0.030 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911519007 664073977 /nfs/dbraw/zinc/07/39/77/664073977.db2.gz DVCKBRJDXVWLFK-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCC[C@@H](C)C1 ZINC000911546224 664075904 /nfs/dbraw/zinc/07/59/04/664075904.db2.gz OVLXQUSIRAEFBV-ARILJUKYSA-N 1 3 322.453 0.232 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000911580897 664086047 /nfs/dbraw/zinc/08/60/47/664086047.db2.gz UTPOTUMZMPSGHH-KBPBESRZSA-N 1 3 307.442 0.903 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC000911869398 664116170 /nfs/dbraw/zinc/11/61/70/664116170.db2.gz WDSVWNBSFXQNQH-KGLIPLIRSA-N 1 3 316.405 0.723 20 0 DCADHO CC1(C)CNCCN1C(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC000911847753 664116616 /nfs/dbraw/zinc/11/66/16/664116616.db2.gz NVIWIGZJHFIYFK-ZDUSSCGKSA-N 1 3 316.405 0.723 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC(=O)N1C ZINC000912304872 664160364 /nfs/dbraw/zinc/16/03/64/664160364.db2.gz SXVODIICUDSGBQ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCC(=O)N1C ZINC000912304872 664160367 /nfs/dbraw/zinc/16/03/67/664160367.db2.gz SXVODIICUDSGBQ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000913426837 664312812 /nfs/dbraw/zinc/31/28/12/664312812.db2.gz DMWVFBWECOOVIT-SOUVJXGZSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000913426837 664312817 /nfs/dbraw/zinc/31/28/17/664312817.db2.gz DMWVFBWECOOVIT-SOUVJXGZSA-N 1 3 309.454 0.965 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000913759575 664720021 /nfs/dbraw/zinc/72/00/21/664720021.db2.gz QEDYQPSXQWYMEJ-KGLIPLIRSA-N 1 3 305.426 0.611 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000913759575 664720022 /nfs/dbraw/zinc/72/00/22/664720022.db2.gz QEDYQPSXQWYMEJ-KGLIPLIRSA-N 1 3 305.426 0.611 20 0 DCADHO O=C1CCCN1C[C@H]1CCCC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000732412950 664924263 /nfs/dbraw/zinc/92/42/63/664924263.db2.gz NNNKMPLDGFJFPU-CVEARBPZSA-N 1 3 309.454 0.920 20 0 DCADHO O=C1CCCN1C[C@H]1CCCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000732412950 664924264 /nfs/dbraw/zinc/92/42/64/664924264.db2.gz NNNKMPLDGFJFPU-CVEARBPZSA-N 1 3 309.454 0.920 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000733040191 665051667 /nfs/dbraw/zinc/05/16/67/665051667.db2.gz HGDHOGQCOAEZNE-GJZGRUSLSA-N 1 3 310.442 0.587 20 0 DCADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CC1)CN1CCN(C)CC1 ZINC000920451362 665271935 /nfs/dbraw/zinc/27/19/35/665271935.db2.gz OBFIUNWAKQLFDJ-CQSZACIVSA-N 1 3 311.474 0.263 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000997857083 665354914 /nfs/dbraw/zinc/35/49/14/665354914.db2.gz VUDVKBXWONWHMM-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730327 665360494 /nfs/dbraw/zinc/36/04/94/665360494.db2.gz KCXMHYDRSUVCBG-CZUORRHYSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730327 665360495 /nfs/dbraw/zinc/36/04/95/665360495.db2.gz KCXMHYDRSUVCBG-CZUORRHYSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000998080508 665396847 /nfs/dbraw/zinc/39/68/47/665396847.db2.gz BTBGOBGFCKPGOB-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO Cn1cc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC000998116533 665402248 /nfs/dbraw/zinc/40/22/48/665402248.db2.gz VPSPEKRXVZBOJB-UHFFFAOYSA-N 1 3 316.409 0.714 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001016248596 666012473 /nfs/dbraw/zinc/01/24/73/666012473.db2.gz BSLXAEAQWJBYFY-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001016248596 666012475 /nfs/dbraw/zinc/01/24/75/666012475.db2.gz BSLXAEAQWJBYFY-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567634 666020409 /nfs/dbraw/zinc/02/04/09/666020409.db2.gz ZQUHXDNMYRKNJF-DOTOQJQBSA-N 1 3 322.497 0.813 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567634 666020410 /nfs/dbraw/zinc/02/04/10/666020410.db2.gz ZQUHXDNMYRKNJF-DOTOQJQBSA-N 1 3 322.497 0.813 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001370946 666043568 /nfs/dbraw/zinc/04/35/68/666043568.db2.gz LHQWSPSJLBVIDI-JKSUJKDBSA-N 1 3 309.454 0.847 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000921938494 666186402 /nfs/dbraw/zinc/18/64/02/666186402.db2.gz XRZUJQOVOHXODF-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000921997983 666222352 /nfs/dbraw/zinc/22/23/52/666222352.db2.gz BXPGNPAXXKJVFG-SUMWQHHRSA-N 1 3 322.405 0.783 20 0 DCADHO CS(=O)(=O)N1CC(CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000929276056 666315397 /nfs/dbraw/zinc/31/53/97/666315397.db2.gz OAZWBRFFQWVCHS-UHFFFAOYSA-N 1 3 315.483 0.686 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001004149105 666459906 /nfs/dbraw/zinc/45/99/06/666459906.db2.gz FKSAMARJKWCXCS-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001004149105 666459908 /nfs/dbraw/zinc/45/99/08/666459908.db2.gz FKSAMARJKWCXCS-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004617483 666570711 /nfs/dbraw/zinc/57/07/11/666570711.db2.gz QHDKEIISQIKPCV-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004617483 666570712 /nfs/dbraw/zinc/57/07/12/666570712.db2.gz QHDKEIISQIKPCV-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H](O)CN1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181295 666608779 /nfs/dbraw/zinc/60/87/79/666608779.db2.gz HQMDKHBFBGFYCA-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946779140 666651273 /nfs/dbraw/zinc/65/12/73/666651273.db2.gz HMTATQVOTVSNNY-KFWWJZLASA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946779140 666651275 /nfs/dbraw/zinc/65/12/75/666651275.db2.gz HMTATQVOTVSNNY-KFWWJZLASA-N 1 3 322.453 0.126 20 0 DCADHO CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033278522 666659020 /nfs/dbraw/zinc/65/90/20/666659020.db2.gz PRBHWPYGCXPTKM-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033278522 666659022 /nfs/dbraw/zinc/65/90/22/666659022.db2.gz PRBHWPYGCXPTKM-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO C[C@H]([NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C)C(N)=O ZINC000995889503 666719579 /nfs/dbraw/zinc/71/95/79/666719579.db2.gz VIKKGTJBRBNEJF-RYUDHWBXSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000996340640 666772930 /nfs/dbraw/zinc/77/29/30/666772930.db2.gz LRAZIHOXBYWEHP-CQSZACIVSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610141 666836976 /nfs/dbraw/zinc/83/69/76/666836976.db2.gz JZXWGXHLHRPYTG-STQMWFEESA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610141 666836977 /nfs/dbraw/zinc/83/69/77/666836977.db2.gz JZXWGXHLHRPYTG-STQMWFEESA-N 1 3 320.441 0.391 20 0 DCADHO Cn1nccc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996618794 666839009 /nfs/dbraw/zinc/83/90/09/666839009.db2.gz XTAUTYKOFSBMLQ-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1nccc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996618794 666839011 /nfs/dbraw/zinc/83/90/11/666839011.db2.gz XTAUTYKOFSBMLQ-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861541586 666941174 /nfs/dbraw/zinc/94/11/74/666941174.db2.gz DYRYNHFPZPMJIS-LBPRGKRZSA-N 1 3 306.410 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)C1 ZINC000997006380 667069205 /nfs/dbraw/zinc/06/92/05/667069205.db2.gz LOVYPQMDTGLTAO-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001034567083 667073862 /nfs/dbraw/zinc/07/38/62/667073862.db2.gz VZDVYEBYPPOVOU-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC000997041472 667086352 /nfs/dbraw/zinc/08/63/52/667086352.db2.gz KNBOYUAZSAVVPG-GUYCJALGSA-N 1 3 318.421 0.959 20 0 DCADHO O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001034654036 667091531 /nfs/dbraw/zinc/09/15/31/667091531.db2.gz WMCOKHWFTMHIGG-KBUPBQIOSA-N 1 3 313.417 0.836 20 0 DCADHO Cn1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863642877 667165334 /nfs/dbraw/zinc/16/53/34/667165334.db2.gz BMEQAQDEQZONJD-CABCVRRESA-N 1 3 304.394 0.782 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000863749956 667175080 /nfs/dbraw/zinc/17/50/80/667175080.db2.gz HEKWPAVBLNEYJX-ZIAGYGMSSA-N 1 3 310.442 0.269 20 0 DCADHO CN(C(=O)[C@@H](O)c1cnc[nH]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865727662 667342008 /nfs/dbraw/zinc/34/20/08/667342008.db2.gz DVIXVPIULIJFIR-ZFWWWQNUSA-N 1 3 321.425 0.070 20 0 DCADHO CC(C)CCOCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709219 667389182 /nfs/dbraw/zinc/38/91/82/667389182.db2.gz JBNYWADYNLNHSP-KFWWJZLASA-N 1 3 311.426 0.916 20 0 DCADHO CN(CC(=O)N1CCC2(C[NH+](CCCO)C2)CC1)C1CCC1 ZINC001035721818 667404203 /nfs/dbraw/zinc/40/42/03/667404203.db2.gz DZANHZCODMYKQM-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H](C)C2)CC1 ZINC001036222652 667432643 /nfs/dbraw/zinc/43/26/43/667432643.db2.gz BMVUTVAPHAKZDG-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO COCC[C@H]([NH3+])C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000884196386 667495819 /nfs/dbraw/zinc/49/58/19/667495819.db2.gz PPBMBNOXVRXCGE-IHRRRGAJSA-N 1 3 301.431 0.356 20 0 DCADHO COCC[C@H](N)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000884224607 667503305 /nfs/dbraw/zinc/50/33/05/667503305.db2.gz UCPVPYUBLXKCAI-HNNXBMFYSA-N 1 3 305.422 0.566 20 0 DCADHO CC(C)OC[C@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346179 667512859 /nfs/dbraw/zinc/51/28/59/667512859.db2.gz QDABKPUOTIALLW-ZIAGYGMSSA-N 1 3 301.431 0.092 20 0 DCADHO NCC(C[NH3+])NCc1cc2c(c(Br)c1)OCO2 ZINC000923351351 667513717 /nfs/dbraw/zinc/51/37/17/667513717.db2.gz JLLHBFIMFUDCJD-UHFFFAOYSA-N 1 3 302.172 0.553 20 0 DCADHO CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923374617 667519931 /nfs/dbraw/zinc/51/99/31/667519931.db2.gz BUDYRLWHUCSOAW-GJZGRUSLSA-N 1 3 311.430 0.550 20 0 DCADHO CC(C)OCC[C@H](O)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923374617 667519932 /nfs/dbraw/zinc/51/99/32/667519932.db2.gz BUDYRLWHUCSOAW-GJZGRUSLSA-N 1 3 311.430 0.550 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCCC[NH+](C)C)CC2)CC1 ZINC000867981509 667523719 /nfs/dbraw/zinc/52/37/19/667523719.db2.gz RWALIKULUGYZHA-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868180741 667540493 /nfs/dbraw/zinc/54/04/93/667540493.db2.gz JKKVBXSWRCDDAT-SQWLQELKSA-N 1 3 304.394 0.689 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000923490450 667546229 /nfs/dbraw/zinc/54/62/29/667546229.db2.gz CQHVTBGMOIZFOG-LBPRGKRZSA-N 1 3 305.378 0.702 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884546271 667564239 /nfs/dbraw/zinc/56/42/39/667564239.db2.gz FYBMONJNAPBLPO-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884546271 667564243 /nfs/dbraw/zinc/56/42/43/667564243.db2.gz FYBMONJNAPBLPO-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)N1CCNCC1 ZINC000923569530 667566658 /nfs/dbraw/zinc/56/66/58/667566658.db2.gz OJOKXPDTPDHDGP-UHFFFAOYSA-N 1 3 310.423 0.048 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884576842 667569479 /nfs/dbraw/zinc/56/94/79/667569479.db2.gz RRXDVFWQASQKNQ-SHTZXODSSA-N 1 3 324.469 0.468 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H](C)CN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000884578107 667570011 /nfs/dbraw/zinc/57/00/11/667570011.db2.gz TUCFEQVHBUXRML-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC1([NH+]2CCC2)CCC(NS(=O)(=O)N2CCNCC2)CC1 ZINC000923686582 667577550 /nfs/dbraw/zinc/57/75/50/667577550.db2.gz MWQMOOWHCCKZGJ-UHFFFAOYSA-N 1 3 316.471 0.133 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C1=CCN(C)CC1 ZINC000884623749 667578479 /nfs/dbraw/zinc/57/84/79/667578479.db2.gz NGXGPHAMQOKAQL-CFVMTHIKSA-N 1 3 320.437 0.106 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884787082 667607269 /nfs/dbraw/zinc/60/72/69/667607269.db2.gz GMWAWSWLRSEBJH-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884787290 667607469 /nfs/dbraw/zinc/60/74/69/667607469.db2.gz MYEPKPJVJVNVTN-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO O=S(=O)(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CNC1 ZINC000923607010 667632464 /nfs/dbraw/zinc/63/24/64/667632464.db2.gz VEVINJASTSEISX-OAHLLOKOSA-N 1 3 323.462 0.442 20 0 DCADHO O=S(=O)(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CNC1 ZINC000923607010 667632468 /nfs/dbraw/zinc/63/24/68/667632468.db2.gz VEVINJASTSEISX-OAHLLOKOSA-N 1 3 323.462 0.442 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885010241 667635117 /nfs/dbraw/zinc/63/51/17/667635117.db2.gz LIVSNPAVRBRCNW-QDMKHBRRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H]1CCCCN1CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923611900 667664050 /nfs/dbraw/zinc/66/40/50/667664050.db2.gz YYJSBZQESMGWNE-KBPBESRZSA-N 1 3 303.472 0.922 20 0 DCADHO O=C(CC[NH2+]CC1CC1)N1CCN(CC2CCOCC2)CC1 ZINC000870890514 667770682 /nfs/dbraw/zinc/77/06/82/667770682.db2.gz ANMAOPBTIKKTGX-UHFFFAOYSA-N 1 3 309.454 0.947 20 0 DCADHO COC(=O)CNC(=O)CCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132469 667852521 /nfs/dbraw/zinc/85/25/21/667852521.db2.gz GKHMGOJPHVZZHA-ZDUSSCGKSA-N 1 3 320.393 0.271 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)CCCCCC[NH3+] ZINC000872154878 667870169 /nfs/dbraw/zinc/87/01/69/667870169.db2.gz DCPVQUNURNPVAZ-KGLIPLIRSA-N 1 3 312.458 0.550 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000872189902 667873073 /nfs/dbraw/zinc/87/30/73/667873073.db2.gz PEZBYOCNMXNMOT-CABCVRRESA-N 1 3 324.469 0.659 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC000889748434 667987619 /nfs/dbraw/zinc/98/76/19/667987619.db2.gz FRHKGESGPHXWOY-XUWVNRHRSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC000889748434 667987620 /nfs/dbraw/zinc/98/76/20/667987620.db2.gz FRHKGESGPHXWOY-XUWVNRHRSA-N 1 3 309.454 0.774 20 0 DCADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248374 668068989 /nfs/dbraw/zinc/06/89/89/668068989.db2.gz DSXBQQTZTPSIFO-ZBEGNZNMSA-N 1 3 320.393 0.721 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H](c2ccccc2)[NH+](C)C)C1=O ZINC000924434396 668206008 /nfs/dbraw/zinc/20/60/08/668206008.db2.gz JHEABGCDSWXODX-KBPBESRZSA-N 1 3 304.394 0.771 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000924442163 668206967 /nfs/dbraw/zinc/20/69/67/668206967.db2.gz WNCCCQORINFVGZ-GJZGRUSLSA-N 1 3 316.405 0.743 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000924442163 668206968 /nfs/dbraw/zinc/20/69/68/668206968.db2.gz WNCCCQORINFVGZ-GJZGRUSLSA-N 1 3 316.405 0.743 20 0 DCADHO CN(CCO)CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000925002675 668264163 /nfs/dbraw/zinc/26/41/63/668264163.db2.gz SCSHKDXSJBFJQP-UHFFFAOYSA-N 1 3 305.422 0.475 20 0 DCADHO CN(CCO)CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000925002675 668264165 /nfs/dbraw/zinc/26/41/65/668264165.db2.gz SCSHKDXSJBFJQP-UHFFFAOYSA-N 1 3 305.422 0.475 20 0 DCADHO CC(=O)N1CCN(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925548906 668328495 /nfs/dbraw/zinc/32/84/95/668328495.db2.gz VCCNSPFRFORPAW-QZTJIDSGSA-N 1 3 322.497 0.908 20 0 DCADHO O=C1NCCN1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925776700 668347807 /nfs/dbraw/zinc/34/78/07/668347807.db2.gz HXUYNTUDYOMTTD-RHSMWYFYSA-N 1 3 316.405 0.857 20 0 DCADHO CCN1CCN(CCCNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876781001 668509719 /nfs/dbraw/zinc/50/97/19/668509719.db2.gz LOGAJIXNNCASGM-MWWKQMNYSA-N 1 3 308.470 0.686 20 0 DCADHO CN(C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000876966890 668544621 /nfs/dbraw/zinc/54/46/21/668544621.db2.gz YJOSXWXVTKHDKI-QLFBSQMISA-N 1 3 308.401 0.276 20 0 DCADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000876980144 668547231 /nfs/dbraw/zinc/54/72/31/668547231.db2.gz XYRYGXKCEXQTIB-CYBMUJFWSA-N 1 3 305.426 0.731 20 0 DCADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876980144 668547235 /nfs/dbraw/zinc/54/72/35/668547235.db2.gz XYRYGXKCEXQTIB-CYBMUJFWSA-N 1 3 305.426 0.731 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877208389 668576916 /nfs/dbraw/zinc/57/69/16/668576916.db2.gz ZIVNGNYMVMEHNX-LLVKDONJSA-N 1 3 302.382 0.198 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)C3=NO[C@H](C[NH3+])C3)C2)cc1 ZINC000877220547 668577820 /nfs/dbraw/zinc/57/78/20/668577820.db2.gz HAMYFOZMSNALHL-CABCVRRESA-N 1 3 316.405 0.789 20 0 DCADHO CN1CCN(C2CCN(C(=O)C3([NH2+]C4CC4)CCC3)CC2)CC1 ZINC000877249985 668583430 /nfs/dbraw/zinc/58/34/30/668583430.db2.gz DEAVHKYDNQHKBY-UHFFFAOYSA-N 1 3 320.481 0.900 20 0 DCADHO CSCC[C@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877331930 668603211 /nfs/dbraw/zinc/60/32/11/668603211.db2.gz SVGJKMCADMSMSC-NEPJUHHUSA-N 1 3 301.456 0.342 20 0 DCADHO [NH3+]C[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCCOC1 ZINC000877339269 668604920 /nfs/dbraw/zinc/60/49/20/668604920.db2.gz WPMAVJNDOQRWPE-RDJZCZTQSA-N 1 3 303.406 0.573 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000877341697 668605701 /nfs/dbraw/zinc/60/57/01/668605701.db2.gz ZAWCSKABJFNQJY-VYDXJSESSA-N 1 3 303.406 0.584 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877403021 668616481 /nfs/dbraw/zinc/61/64/81/668616481.db2.gz LDYYLRVBPDUGPS-QWHCGFSZSA-N 1 3 311.426 0.696 20 0 DCADHO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000769613436 668655476 /nfs/dbraw/zinc/65/54/76/668655476.db2.gz YADKSCXNOULJMN-HUUCEWRRSA-N 1 3 310.442 0.587 20 0 DCADHO CC[N@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000769613436 668655477 /nfs/dbraw/zinc/65/54/77/668655477.db2.gz YADKSCXNOULJMN-HUUCEWRRSA-N 1 3 310.442 0.587 20 0 DCADHO CCOCCOCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000930136264 668967074 /nfs/dbraw/zinc/96/70/74/668967074.db2.gz KOOLAHWHENCOLR-SJORKVTESA-N 1 3 313.486 0.997 20 0 DCADHO CCOCCOCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000930136264 668967078 /nfs/dbraw/zinc/96/70/78/668967078.db2.gz KOOLAHWHENCOLR-SJORKVTESA-N 1 3 313.486 0.997 20 0 DCADHO CCOCCOCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000930136264 668967083 /nfs/dbraw/zinc/96/70/83/668967083.db2.gz KOOLAHWHENCOLR-SJORKVTESA-N 1 3 313.486 0.997 20 0 DCADHO O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N(CCO)CCNCCF ZINC001754893826 1157885666 /nfs/dbraw/zinc/88/56/66/1157885666.db2.gz JUKMFTDLHOBKDZ-UONOGXRCSA-N 1 3 301.406 0.383 20 0 DCADHO O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N(CCO)CCNCCF ZINC001754893826 1157885673 /nfs/dbraw/zinc/88/56/73/1157885673.db2.gz JUKMFTDLHOBKDZ-UONOGXRCSA-N 1 3 301.406 0.383 20 0 DCADHO C[C@@H](N)c1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000881423714 669341743 /nfs/dbraw/zinc/34/17/43/669341743.db2.gz CNIHUKNLNFMUMK-CZUORRHYSA-N 1 3 301.394 0.935 20 0 DCADHO C[C@@H](N)c1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000881423714 669341745 /nfs/dbraw/zinc/34/17/45/669341745.db2.gz CNIHUKNLNFMUMK-CZUORRHYSA-N 1 3 301.394 0.935 20 0 DCADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000847294761 670533230 /nfs/dbraw/zinc/53/32/30/670533230.db2.gz ZDBXGPCJLCRHNI-LSDHHAIUSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](C[C@H]1COCC[NH2+]1)NCCS(=O)(=O)CC(F)(F)F ZINC000854222881 670536628 /nfs/dbraw/zinc/53/66/28/670536628.db2.gz MTYPRSZRHFOCTB-ZJUUUORDSA-N 1 3 318.361 0.320 20 0 DCADHO COC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346259 670701115 /nfs/dbraw/zinc/70/11/15/670701115.db2.gz UOYHLWRFUYSKST-LBPRGKRZSA-N 1 3 302.419 0.073 20 0 DCADHO COC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346259 670701119 /nfs/dbraw/zinc/70/11/19/670701119.db2.gz UOYHLWRFUYSKST-LBPRGKRZSA-N 1 3 302.419 0.073 20 0 DCADHO C[NH+](C)CC(C)(C)CNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650484 670709192 /nfs/dbraw/zinc/70/91/92/670709192.db2.gz OJUMVMYKWPQLBG-QWHCGFSZSA-N 1 3 314.499 0.200 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ncc2c(n1)CCOC2 ZINC000849047269 670755074 /nfs/dbraw/zinc/75/50/74/670755074.db2.gz SKLCIISOIAWVSX-CYBMUJFWSA-N 1 3 318.425 0.648 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849541280 670815619 /nfs/dbraw/zinc/81/56/19/670815619.db2.gz MRZXLCCESOIXRF-VNQPRFMTSA-N 1 3 321.469 0.912 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852799298 671161074 /nfs/dbraw/zinc/16/10/74/671161074.db2.gz TUMPUDIVEDNSKR-JHJVBQTASA-N 1 3 319.409 0.080 20 0 DCADHO CC[C@@](C)(O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820073620 671162206 /nfs/dbraw/zinc/16/22/06/671162206.db2.gz BVTVVTVRXTWQBF-DZGCQCFKSA-N 1 3 302.463 0.719 20 0 DCADHO CC[C@@](C)(O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820073620 671162209 /nfs/dbraw/zinc/16/22/09/671162209.db2.gz BVTVVTVRXTWQBF-DZGCQCFKSA-N 1 3 302.463 0.719 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)=NO1 ZINC000852854727 671174971 /nfs/dbraw/zinc/17/49/71/671174971.db2.gz NWEBCHNQTBHHBH-ZIAGYGMSSA-N 1 3 302.378 0.481 20 0 DCADHO [NH3+]C[C@H](C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000827936284 671540153 /nfs/dbraw/zinc/54/01/53/671540153.db2.gz IMOHRPONRAOFNS-JYJNAYRXSA-N 1 3 321.396 0.847 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000828247781 671548241 /nfs/dbraw/zinc/54/82/41/671548241.db2.gz ZZIZUJFFIFGLJI-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1cc([C@@H](N)CC(=O)N2CCO[C@@H](C[NH3+])C2)cc(Cl)n1 ZINC000834528383 671769567 /nfs/dbraw/zinc/76/95/67/671769567.db2.gz DUOWBLWIMVUXRU-RYUDHWBXSA-N 1 3 312.801 0.619 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000841791436 671956502 /nfs/dbraw/zinc/95/65/02/671956502.db2.gz WVBTXENXFPDCHW-KKUMJFAQSA-N 1 3 310.442 0.620 20 0 DCADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000842012517 671973573 /nfs/dbraw/zinc/97/35/73/671973573.db2.gz XNOLWVPNPCQKFV-INIZCTEOSA-N 1 3 320.437 0.878 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000842015264 671974113 /nfs/dbraw/zinc/97/41/13/671974113.db2.gz JMRKZRWJMKXDKY-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000842015855 671974635 /nfs/dbraw/zinc/97/46/35/671974635.db2.gz PBHQPDGVHGJXEM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CCCCC1 ZINC000842016886 671975344 /nfs/dbraw/zinc/97/53/44/671975344.db2.gz YYZHFANEBIDBDB-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000842016476 671975398 /nfs/dbraw/zinc/97/53/98/671975398.db2.gz WDMCNSNKWAIXDR-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843264090 672077318 /nfs/dbraw/zinc/07/73/18/672077318.db2.gz ZCSASTXCLWSAKG-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@H]1CNCCN1C)[NH+]1CCC(C)CC1 ZINC001648966351 1158192433 /nfs/dbraw/zinc/19/24/33/1158192433.db2.gz YYZWSDAVCGSGSE-HZPDHXFCSA-N 1 3 310.486 0.763 20 0 DCADHO CCCS(=O)(=O)N1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396603987 685270335 /nfs/dbraw/zinc/27/03/35/685270335.db2.gz YJFONACJEKVTMG-TZMCWYRMSA-N 1 3 303.472 0.921 20 0 DCADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892570177 685429853 /nfs/dbraw/zinc/42/98/53/685429853.db2.gz MBMBNXWTBLKKFC-JOCQHMNTSA-N 1 3 319.409 0.659 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026492510 693871135 /nfs/dbraw/zinc/87/11/35/693871135.db2.gz OJWNBOCPNCXUIN-RUXDESIVSA-N 1 3 310.442 0.362 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000954323314 685994235 /nfs/dbraw/zinc/99/42/35/685994235.db2.gz FLQGTDLWMFDEJD-INIZCTEOSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3cncn3C)C2)C1 ZINC000962309653 688879981 /nfs/dbraw/zinc/87/99/81/688879981.db2.gz PJQFQNYISGLGEW-NFOMZHRRSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1oncc1CNCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000962705506 688968853 /nfs/dbraw/zinc/96/88/53/688968853.db2.gz YYIOJXDGKBOYRK-OWYJLGKBSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CNCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000962705506 688968855 /nfs/dbraw/zinc/96/88/55/688968855.db2.gz YYIOJXDGKBOYRK-OWYJLGKBSA-N 1 3 306.410 0.919 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000963787722 689095121 /nfs/dbraw/zinc/09/51/21/689095121.db2.gz KWKAXFBFEOCOGR-UKEPKTAJSA-N 1 3 309.454 0.869 20 0 DCADHO CN(C(=O)CN1CCC(C)(C)C1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963902870 689109176 /nfs/dbraw/zinc/10/91/76/689109176.db2.gz SQCXRAWBUGZYCI-UHFFFAOYSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966167213 689664064 /nfs/dbraw/zinc/66/40/64/689664064.db2.gz MEBOGXRXNYXMQB-HIFRSBDPSA-N 1 3 307.442 0.905 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000967839372 690099461 /nfs/dbraw/zinc/09/94/61/690099461.db2.gz HABNHJLPKVBBLP-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000967839372 690099463 /nfs/dbraw/zinc/09/94/63/690099463.db2.gz HABNHJLPKVBBLP-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000968644795 690353588 /nfs/dbraw/zinc/35/35/88/690353588.db2.gz HBHMBBNNJHPLRG-ZBFHGGJFSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000968644795 690353592 /nfs/dbraw/zinc/35/35/92/690353592.db2.gz HBHMBBNNJHPLRG-ZBFHGGJFSA-N 1 3 319.453 0.983 20 0 DCADHO O=C(N[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001007989487 690783811 /nfs/dbraw/zinc/78/38/11/690783811.db2.gz LAKBOINSJNCXAD-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001007989487 690783815 /nfs/dbraw/zinc/78/38/15/690783815.db2.gz LAKBOINSJNCXAD-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015999371 692540603 /nfs/dbraw/zinc/54/06/03/692540603.db2.gz URGWGJXDMPJPNA-LSDHHAIUSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015999371 692540607 /nfs/dbraw/zinc/54/06/07/692540607.db2.gz URGWGJXDMPJPNA-LSDHHAIUSA-N 1 3 319.453 0.495 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC001018990765 693310080 /nfs/dbraw/zinc/31/00/80/693310080.db2.gz OQDXISAVJSVSTG-UONOGXRCSA-N 1 3 320.441 0.678 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC001018990765 693310085 /nfs/dbraw/zinc/31/00/85/693310085.db2.gz OQDXISAVJSVSTG-UONOGXRCSA-N 1 3 320.441 0.678 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC001019343067 693439767 /nfs/dbraw/zinc/43/97/67/693439767.db2.gz WMLUYGUBPJMSCY-RRFJBIMHSA-N 1 3 324.469 0.384 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCc2ccns2)C1 ZINC001019436344 693472990 /nfs/dbraw/zinc/47/29/90/693472990.db2.gz ZOBWTHHLGHQLKS-NSHDSACASA-N 1 3 305.407 0.842 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020143783 693713522 /nfs/dbraw/zinc/71/35/22/693713522.db2.gz FEAMPUUBXLCZSF-JYJNAYRXSA-N 1 3 319.453 0.993 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001020179078 693724831 /nfs/dbraw/zinc/72/48/31/693724831.db2.gz NLSHEHBCAQSLPU-FPCVCCKLSA-N 1 3 307.438 0.887 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072676636 694651025 /nfs/dbraw/zinc/65/10/25/694651025.db2.gz DUTAENBHQJAEAA-BXUZGUMPSA-N 1 3 321.425 0.175 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001072679224 694651612 /nfs/dbraw/zinc/65/16/12/694651612.db2.gz FXLHDEXCXPKAOS-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001072800839 694666993 /nfs/dbraw/zinc/66/69/93/694666993.db2.gz GBQZWIHFIZFOCZ-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO CCN1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603693 694750253 /nfs/dbraw/zinc/75/02/53/694750253.db2.gz MLRHKDZDDOCVDH-AWEZNQCLSA-N 1 3 323.441 0.285 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001074877510 694927829 /nfs/dbraw/zinc/92/78/29/694927829.db2.gz CIVVQEOGQLTJTI-JYJNAYRXSA-N 1 3 319.453 0.946 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001074942737 694931182 /nfs/dbraw/zinc/93/11/82/694931182.db2.gz MOXYQOTUBCLWCA-QEJZJMRPSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075107225 694938554 /nfs/dbraw/zinc/93/85/54/694938554.db2.gz WNWWVBZFAGLUNE-DRZSPHRISA-N 1 3 306.414 0.144 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)n[nH]1 ZINC001075107225 694938555 /nfs/dbraw/zinc/93/85/55/694938555.db2.gz WNWWVBZFAGLUNE-DRZSPHRISA-N 1 3 306.414 0.144 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001075169207 694940709 /nfs/dbraw/zinc/94/07/09/694940709.db2.gz HNKGNWBWGXIUBZ-XJIUQZFPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001076587742 695030223 /nfs/dbraw/zinc/03/02/23/695030223.db2.gz CEHRGYDAMUKAFA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001076587742 695030224 /nfs/dbraw/zinc/03/02/24/695030224.db2.gz CEHRGYDAMUKAFA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713420 695040087 /nfs/dbraw/zinc/04/00/87/695040087.db2.gz ZXWYJQFHYAYNBN-ZIAGYGMSSA-N 1 3 320.393 0.537 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713420 695040088 /nfs/dbraw/zinc/04/00/88/695040088.db2.gz ZXWYJQFHYAYNBN-ZIAGYGMSSA-N 1 3 320.393 0.537 20 0 DCADHO CCOCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001571008272 1162667349 /nfs/dbraw/zinc/66/73/49/1162667349.db2.gz MHDTUTCRMNCVRF-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001571462898 1162769556 /nfs/dbraw/zinc/76/95/56/1162769556.db2.gz LVBQKWSQIZQNJJ-RISCZKNCSA-N 1 3 319.409 0.057 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(CCOCC(F)F)C2)C1 ZINC001691171574 1157605494 /nfs/dbraw/zinc/60/54/94/1157605494.db2.gz WTXARFCIFQENNW-OLZOCXBDSA-N 1 3 319.396 0.658 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(CCOCC(F)F)C2)C1 ZINC001691171574 1157605496 /nfs/dbraw/zinc/60/54/96/1157605496.db2.gz WTXARFCIFQENNW-OLZOCXBDSA-N 1 3 319.396 0.658 20 0 DCADHO CO[C@@H]1C[NH2+]C[C@@H]1S(=O)(=O)[N-]CC[NH+](C(C)C)C(C)C ZINC000396676943 1157939518 /nfs/dbraw/zinc/93/95/18/1157939518.db2.gz ULGSNOQASBBPIE-OLZOCXBDSA-N 1 3 307.460 0.011 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)Cc1ccccc1 ZINC001648962146 1158189352 /nfs/dbraw/zinc/18/93/52/1158189352.db2.gz MFTQXNODFYZLIF-UXLLHSPISA-N 1 3 305.422 0.388 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001691537662 1158322051 /nfs/dbraw/zinc/32/20/51/1158322051.db2.gz KLFBOWLOBQSANA-MRVWCRGKSA-N 1 3 308.426 0.906 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1cnn(C)c1 ZINC001691623076 1158361712 /nfs/dbraw/zinc/36/17/12/1158361712.db2.gz KPHOPVDXKWQINV-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CC)[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000110389695 1158362999 /nfs/dbraw/zinc/36/29/99/1158362999.db2.gz BBTCIWNHKBNIOT-UONOGXRCSA-N 1 3 303.472 0.874 20 0 DCADHO COC(=O)c1ccc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)[nH]1 ZINC001276419081 1159090037 /nfs/dbraw/zinc/09/00/37/1159090037.db2.gz OPSBLOCFAYIPLD-XJKSGUPXSA-N 1 3 320.437 0.869 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001446440695 1159416106 /nfs/dbraw/zinc/41/61/06/1159416106.db2.gz PRBIDOUHDTZLOZ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001453218844 1159751627 /nfs/dbraw/zinc/75/16/27/1159751627.db2.gz YOUQOFWPDXBKDF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001453218844 1159751631 /nfs/dbraw/zinc/75/16/31/1159751631.db2.gz YOUQOFWPDXBKDF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001566810908 1160159472 /nfs/dbraw/zinc/15/94/72/1160159472.db2.gz HUHHBSVIJSWOPR-IHRRRGAJSA-N 1 3 310.442 0.090 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001567504428 1160400354 /nfs/dbraw/zinc/40/03/54/1160400354.db2.gz KFLKNNUUMVUTLB-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001567504428 1160400360 /nfs/dbraw/zinc/40/03/60/1160400360.db2.gz KFLKNNUUMVUTLB-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)n1 ZINC001567560908 1160420654 /nfs/dbraw/zinc/42/06/54/1160420654.db2.gz UQLOLGQYSOSZIA-ZDUSSCGKSA-N 1 3 322.457 0.285 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001568879881 1160838619 /nfs/dbraw/zinc/83/86/19/1160838619.db2.gz PYRNULJPMKPGPO-ZRUQZJFASA-N 1 3 322.453 0.354 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(N)=O ZINC001568970226 1160904563 /nfs/dbraw/zinc/90/45/63/1160904563.db2.gz VPZPBIWOIGIASL-HYLRALAJSA-N 1 3 310.442 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCCNCc1ccn(C)n1)[NH+](C)C ZINC001569237205 1160990849 /nfs/dbraw/zinc/99/08/49/1160990849.db2.gz AKNMUYAJBSIUEC-OAHLLOKOSA-N 1 3 309.458 0.944 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001575331812 1163977505 /nfs/dbraw/zinc/97/75/05/1163977505.db2.gz OGXSQUJVILIYGO-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC001575334953 1163979975 /nfs/dbraw/zinc/97/99/75/1163979975.db2.gz WIJUOWHLRBEYEQ-CYBMUJFWSA-N 1 3 303.472 0.922 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NCc1c[nH]nn1)[NH+]1CCCCC1 ZINC001575566924 1164063463 /nfs/dbraw/zinc/06/34/63/1164063463.db2.gz PHDAGPOKBZJURN-DZGCQCFKSA-N 1 3 322.457 0.910 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCCCC[NH3+] ZINC001576575487 1164399659 /nfs/dbraw/zinc/39/96/59/1164399659.db2.gz ZZTMAWQCRVQGLQ-ZDUSSCGKSA-N 1 3 313.446 0.267 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CCN1CC[NH2+]CC1 ZINC001576619691 1164415871 /nfs/dbraw/zinc/41/58/71/1164415871.db2.gz SMSLVIVZGHRPIU-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CCN1CC[NH2+]CC1 ZINC001576619689 1164416492 /nfs/dbraw/zinc/41/64/92/1164416492.db2.gz SMSLVIVZGHRPIU-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)CC[N@@H+]1C ZINC001577186557 1164627896 /nfs/dbraw/zinc/62/78/96/1164627896.db2.gz SSXCECDHQPHWQD-VHDGCEQUSA-N 1 3 320.441 0.616 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)CC[N@H+]1C ZINC001577186557 1164627902 /nfs/dbraw/zinc/62/79/02/1164627902.db2.gz SSXCECDHQPHWQD-VHDGCEQUSA-N 1 3 320.441 0.616 20 0 DCADHO CCN(CCO)CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001577725920 1164775727 /nfs/dbraw/zinc/77/57/27/1164775727.db2.gz WMGGCPNCCFGGLQ-QGZVFWFLSA-N 1 3 305.422 0.348 20 0 DCADHO CCN1C[C@@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C(C)(C)C1 ZINC001577760111 1164783831 /nfs/dbraw/zinc/78/38/31/1164783831.db2.gz MLFSXWSDAGKHOV-BXUZGUMPSA-N 1 3 305.426 0.947 20 0 DCADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC001577939777 1164852427 /nfs/dbraw/zinc/85/24/27/1164852427.db2.gz QZNFAQZPCQSCLN-HTQZYQBOSA-N 1 3 320.333 0.479 20 0 DCADHO CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCN(C)C1 ZINC001578528647 1165044618 /nfs/dbraw/zinc/04/46/18/1165044618.db2.gz IYUSWCZFTRGREL-CABCVRRESA-N 1 3 324.469 0.881 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC001578533531 1165048509 /nfs/dbraw/zinc/04/85/09/1165048509.db2.gz MOUXPDHZUCKXSN-LFAOLKIESA-N 1 3 308.470 0.684 20 0 DCADHO COCC[C@@H]([NH3+])CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001579002271 1165185169 /nfs/dbraw/zinc/18/51/69/1165185169.db2.gz PHBKHDAXNCXOOU-CQSZACIVSA-N 1 3 312.458 0.156 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001579490546 1165330361 /nfs/dbraw/zinc/33/03/61/1165330361.db2.gz UPYYHGFIQNOYGB-ARLBYUKCSA-N 1 3 307.438 0.554 20 0 DCADHO Cn1ncc(C2CC2)c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001579998719 1165466988 /nfs/dbraw/zinc/46/69/88/1165466988.db2.gz VKZXTICBHKJVRI-CYBMUJFWSA-N 1 3 305.426 0.584 20 0 DCADHO NCc1ncc(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)cn1 ZINC001580356671 1165583033 /nfs/dbraw/zinc/58/30/33/1165583033.db2.gz NKKJHVPEOBROQS-HNNXBMFYSA-N 1 3 311.389 0.592 20 0 DCADHO OC[C@@]1(N(CCN2CC[NH2+]CC2)Cc2ccccc2)CCOC1 ZINC001580881069 1165751346 /nfs/dbraw/zinc/75/13/46/1165751346.db2.gz BNNDMDCMCIEGQU-SFHVURJKSA-N 1 3 319.449 0.545 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001583448346 1166255502 /nfs/dbraw/zinc/25/55/02/1166255502.db2.gz LYEWLZBAVLKPFF-YOVCOIKASA-N 1 3 324.469 0.600 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001583448346 1166255509 /nfs/dbraw/zinc/25/55/09/1166255509.db2.gz LYEWLZBAVLKPFF-YOVCOIKASA-N 1 3 324.469 0.600 20 0 DCADHO N[C@@H](CC(F)F)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001646120771 1172258239 /nfs/dbraw/zinc/25/82/39/1172258239.db2.gz XPTVCOKLRTUBHC-PRJMDXOYSA-N 1 3 303.275 0.955 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC001646748090 1172508058 /nfs/dbraw/zinc/50/80/58/1172508058.db2.gz ZWZVWPSFFBPTMG-MISXGVKJSA-N 1 3 316.405 0.721 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)C1(N)CC3(CCC3)C1)C2 ZINC001646790138 1172533907 /nfs/dbraw/zinc/53/39/07/1172533907.db2.gz NEANGTLRYLAHGY-OZVIIMIRSA-N 1 3 321.421 0.387 20 0 DCADHO CC(C)CC[C@H](N)C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001646795133 1172537426 /nfs/dbraw/zinc/53/74/26/1172537426.db2.gz ONBHUVUTKHKCTC-LRDDRELGSA-N 1 3 305.426 0.747 20 0 DCADHO [NH3+]C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccccc1 ZINC001646835772 1172557719 /nfs/dbraw/zinc/55/77/19/1172557719.db2.gz CRTNWFVIRMNISA-ULQDDVLXSA-N 1 3 317.433 0.787 20 0 DCADHO N[C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccccc1 ZINC001646842265 1172560186 /nfs/dbraw/zinc/56/01/86/1172560186.db2.gz URLLJIMCPBRCQR-YQQAZPJKSA-N 1 3 319.405 0.028 20 0 DCADHO N[C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccccc1 ZINC001646842265 1172560192 /nfs/dbraw/zinc/56/01/92/1172560192.db2.gz URLLJIMCPBRCQR-YQQAZPJKSA-N 1 3 319.405 0.028 20 0 DCADHO [NH3+][C@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21)c1ccccc1 ZINC001646842265 1172560196 /nfs/dbraw/zinc/56/01/96/1172560196.db2.gz URLLJIMCPBRCQR-YQQAZPJKSA-N 1 3 319.405 0.028 20 0 DCADHO COCc1nocc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001647307951 1172800006 /nfs/dbraw/zinc/80/00/06/1172800006.db2.gz YHYOVSLNNXFQHA-LBPRGKRZSA-N 1 3 312.414 0.823 20 0 DCADHO COCc1nocc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001647307951 1172800008 /nfs/dbraw/zinc/80/00/08/1172800008.db2.gz YHYOVSLNNXFQHA-LBPRGKRZSA-N 1 3 312.414 0.823 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC3CC[NH2+]CC3)CC2)CC1 ZINC001647394332 1172859704 /nfs/dbraw/zinc/85/97/04/1172859704.db2.gz PJVIVIJDNPYBPM-UHFFFAOYSA-N 1 3 309.458 0.160 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N[C@H]3CCCN(CCCO)C3)[C@H]2C1 ZINC001649312829 1173098397 /nfs/dbraw/zinc/09/83/97/1173098397.db2.gz KTMSIKUKEXODFZ-VGWMRTNUSA-N 1 3 324.469 0.473 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N[C@H]3CCCN(CCCO)C3)[C@H]2C1 ZINC001649312829 1173098403 /nfs/dbraw/zinc/09/84/03/1173098403.db2.gz KTMSIKUKEXODFZ-VGWMRTNUSA-N 1 3 324.469 0.473 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001649881202 1173280329 /nfs/dbraw/zinc/28/03/29/1173280329.db2.gz QVNSKPMVICWAIH-YUELXQCFSA-N 1 3 310.442 0.618 20 0 DCADHO CN1CCN(C2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001649944333 1173326433 /nfs/dbraw/zinc/32/64/33/1173326433.db2.gz QBMNOBPBDQIBQI-HNNXBMFYSA-N 1 3 308.470 0.757 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001650185175 1173505285 /nfs/dbraw/zinc/50/52/85/1173505285.db2.gz KCFXEJRFMCZREK-RRFJBIMHSA-N 1 3 323.485 0.595 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)C[C@H](O)C[NH3+])N2CCCC2)cc1 ZINC001650337418 1173576907 /nfs/dbraw/zinc/57/69/07/1173576907.db2.gz WFVSPKCRPVXKJN-JKSUJKDBSA-N 1 3 305.422 0.958 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001650341114 1173579396 /nfs/dbraw/zinc/57/93/96/1173579396.db2.gz KIJJZVKITBMEGN-DJSGYFEHSA-N 1 3 306.410 0.484 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC1 ZINC001650342665 1173581380 /nfs/dbraw/zinc/58/13/80/1173581380.db2.gz WQLMUAJXFPPBBV-RQJABVFESA-N 1 3 315.421 0.755 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1)C1CCC1 ZINC001661610653 1174140779 /nfs/dbraw/zinc/14/07/79/1174140779.db2.gz ZHVKDBVCWKJZNS-OKILXGFUSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC(C)(C)C)C1 ZINC001664186093 1174407435 /nfs/dbraw/zinc/40/74/35/1174407435.db2.gz JYICGEYVXFYSQN-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC(C)(C)C)C1 ZINC001664186093 1174407438 /nfs/dbraw/zinc/40/74/38/1174407438.db2.gz JYICGEYVXFYSQN-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001668430717 1174796266 /nfs/dbraw/zinc/79/62/66/1174796266.db2.gz CNHPYVLOZVVTKN-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001668430717 1174796270 /nfs/dbraw/zinc/79/62/70/1174796270.db2.gz CNHPYVLOZVVTKN-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]CC[C@@H]1CCOC1 ZINC001669162705 1174902459 /nfs/dbraw/zinc/90/24/59/1174902459.db2.gz QISUNKQLSDEJBF-BAABZTOOSA-N 1 3 306.410 0.949 20 0 DCADHO CN(C)C1(C(=O)N2CCC(O)(C[NH2+]CCCF)CC2)CCC1 ZINC001674080571 1175251406 /nfs/dbraw/zinc/25/14/06/1175251406.db2.gz VRTFYCBJMJKRSV-UHFFFAOYSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001675916195 1175403308 /nfs/dbraw/zinc/40/33/08/1175403308.db2.gz TZVBARMHAOUTQC-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CN1CCN(CCCNC(=O)c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000121028197 1176967023 /nfs/dbraw/zinc/96/70/23/1176967023.db2.gz ABVFNJNNEFQFIG-UHFFFAOYSA-N 1 3 316.449 0.700 20 0 DCADHO CN(CCCNC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCCNC1=O ZINC001689813167 1177072470 /nfs/dbraw/zinc/07/24/70/1177072470.db2.gz FDMYIVKIONYAAF-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC1 ZINC001690908530 1177346826 /nfs/dbraw/zinc/34/68/26/1177346826.db2.gz ZNDJNFXQYWJMIC-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CCOCCN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001692164125 1177430566 /nfs/dbraw/zinc/43/05/66/1177430566.db2.gz LSIHTHASYCTYGF-BMFZPTHFSA-N 1 3 309.454 0.944 20 0 DCADHO COC[C@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001698916263 1177720784 /nfs/dbraw/zinc/72/07/84/1177720784.db2.gz DVHQGVHETBQITH-LSDHHAIUSA-N 1 3 324.425 0.320 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699048602 1177799149 /nfs/dbraw/zinc/79/91/49/1177799149.db2.gz SRAQNXOUGMCVFY-UONOGXRCSA-N 1 3 301.406 0.430 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001699048602 1177799155 /nfs/dbraw/zinc/79/91/55/1177799155.db2.gz SRAQNXOUGMCVFY-UONOGXRCSA-N 1 3 301.406 0.430 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCn1cncn1 ZINC001699154563 1177899402 /nfs/dbraw/zinc/89/94/02/1177899402.db2.gz QXGDFQBOPKSVSU-LLVKDONJSA-N 1 3 305.386 0.037 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+]CCO)c1 ZINC001699767708 1178280646 /nfs/dbraw/zinc/28/06/46/1178280646.db2.gz VBDWNHZUTILBAP-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO Cn1cc(C[NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001700089077 1178474478 /nfs/dbraw/zinc/47/44/78/1178474478.db2.gz TYUMRKDOUXMHQQ-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO CN(C)Cc1ccsc1C(=O)NCCC[N@H+](C)CC(N)=O ZINC001707377191 1180468920 /nfs/dbraw/zinc/46/89/20/1180468920.db2.gz HXOOVUAUPJAPLA-UHFFFAOYSA-N 1 3 312.439 0.347 20 0 DCADHO CN(C)Cc1ccsc1C(=O)NCCC[N@@H+](C)CC(N)=O ZINC001707377191 1180468923 /nfs/dbraw/zinc/46/89/23/1180468923.db2.gz HXOOVUAUPJAPLA-UHFFFAOYSA-N 1 3 312.439 0.347 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1)N(C)C ZINC001713150028 1180698254 /nfs/dbraw/zinc/69/82/54/1180698254.db2.gz PTKWMODPDGNDCX-RWMBFGLXSA-N 1 3 319.396 0.941 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](C[C@@H](O)COC)CC1 ZINC000160996813 1180865555 /nfs/dbraw/zinc/86/55/55/1180865555.db2.gz XWDMKHXVOSSKNK-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO COc1cc(C[NH2+]CCN(C)C(=O)CN(C)C(C)C)ccn1 ZINC001714798147 1181552783 /nfs/dbraw/zinc/55/27/83/1181552783.db2.gz QRPBISYORSDUOT-UHFFFAOYSA-N 1 3 308.426 0.978 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001715829998 1182033875 /nfs/dbraw/zinc/03/38/75/1182033875.db2.gz UJLFOMIXBVZKHC-BEWKBBBFSA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNCC(=O)N1CCC1)[NH+](C)C ZINC001715831865 1182036298 /nfs/dbraw/zinc/03/62/98/1182036298.db2.gz ZTGPSGUZGKVUSJ-NFAHFFEMSA-N 1 3 310.442 0.067 20 0 DCADHO CN1CCC[C@@H](NC/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001716367125 1182360726 /nfs/dbraw/zinc/36/07/26/1182360726.db2.gz HZQCRBDWGMGPAV-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@@H](NC/C=C/CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001716367125 1182360729 /nfs/dbraw/zinc/36/07/29/1182360729.db2.gz HZQCRBDWGMGPAV-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001716378854 1182365913 /nfs/dbraw/zinc/36/59/13/1182365913.db2.gz MNPOMCDZTMQZNL-NFAHFFEMSA-N 1 3 324.469 0.601 20 0 DCADHO C[C@@H](CN(C)CCOCC(F)F)NC(=O)C12CC[NH+](CC1)C2 ZINC001716500941 1182416121 /nfs/dbraw/zinc/41/61/21/1182416121.db2.gz MUJZNKKDMCSUIC-LBPRGKRZSA-N 1 3 319.396 0.800 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001716550344 1182436535 /nfs/dbraw/zinc/43/65/35/1182436535.db2.gz ZVTDQTYRLDEBFX-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001716550156 1182437525 /nfs/dbraw/zinc/43/75/25/1182437525.db2.gz TZPKGIPWGDJYNY-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO COCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001717129084 1182685691 /nfs/dbraw/zinc/68/56/91/1182685691.db2.gz YNQOVSJMMNNEFM-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001724915746 1184618167 /nfs/dbraw/zinc/61/81/67/1184618167.db2.gz YZSOSNDEBFYHRD-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]CCOC)CCOCC1)N(C)C ZINC001724917656 1184619147 /nfs/dbraw/zinc/61/91/47/1184619147.db2.gz BQJHQOMXKFCPSQ-CYBMUJFWSA-N 1 3 301.431 0.228 20 0 DCADHO CC[C@H](C(N)=O)N(CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731322811 1185268487 /nfs/dbraw/zinc/26/84/87/1185268487.db2.gz MZVVSWPCWAXWNQ-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CCNCC(=O)N1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731922270 1185576607 /nfs/dbraw/zinc/57/66/07/1185576607.db2.gz OICVFUJYAKKMEN-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCNCC(=O)N1CCCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001731922270 1185576611 /nfs/dbraw/zinc/57/66/11/1185576611.db2.gz OICVFUJYAKKMEN-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN1CC[C@@H](NC/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001732884488 1186036077 /nfs/dbraw/zinc/03/60/77/1186036077.db2.gz BRLRFBACIXCJOT-ZRUQZJFASA-N 1 3 322.453 0.354 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001732983049 1186090676 /nfs/dbraw/zinc/09/06/76/1186090676.db2.gz DGTOHLQDQKCCOE-ZBFHGGJFSA-N 1 3 321.469 0.931 20 0 DCADHO CCOCC[NH2+][C@]1(CO)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001733826746 1186465255 /nfs/dbraw/zinc/46/52/55/1186465255.db2.gz JAUOFVWPCOAMLJ-MRXNPFEDSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001738517896 1187581797 /nfs/dbraw/zinc/58/17/97/1187581797.db2.gz BGZIBDZYCDBJQV-AZJURWTESA-N 1 3 324.469 0.457 20 0 DCADHO CCN(CC)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001738517896 1187581803 /nfs/dbraw/zinc/58/18/03/1187581803.db2.gz BGZIBDZYCDBJQV-AZJURWTESA-N 1 3 324.469 0.457 20 0 DCADHO CCCN(C)CC(=O)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001738544788 1187589672 /nfs/dbraw/zinc/58/96/72/1187589672.db2.gz IQHMQMAXYNMJCD-PLNGDYQASA-N 1 3 322.453 0.213 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCCNC(=O)CN1CCCC1 ZINC001742878393 1188070874 /nfs/dbraw/zinc/07/08/74/1188070874.db2.gz FVEZCNKNCNAIKH-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCCNC(=O)CN1CCCC1 ZINC001742878393 1188070879 /nfs/dbraw/zinc/07/08/79/1188070879.db2.gz FVEZCNKNCNAIKH-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cnn(C)c1 ZINC001752231490 1188406934 /nfs/dbraw/zinc/40/69/34/1188406934.db2.gz ISDLAQRKZWJJGH-HNNXBMFYSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cnn(C)c1 ZINC001752231490 1188406936 /nfs/dbraw/zinc/40/69/36/1188406936.db2.gz ISDLAQRKZWJJGH-HNNXBMFYSA-N 1 3 307.442 0.700 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC001752954150 1188467104 /nfs/dbraw/zinc/46/71/04/1188467104.db2.gz SNRQZTPFYSPGCH-ZFWWWQNUSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H](C(=O)NC/C=C/CN[C@H]1CCNC1=O)[NH+]1CCCCCC1 ZINC001754178568 1188773519 /nfs/dbraw/zinc/77/35/19/1188773519.db2.gz QKNGWYNGGCOTGQ-YJQVQVLHSA-N 1 3 322.453 0.401 20 0 DCADHO CCn1cc(CC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)cn1 ZINC001754245864 1188798634 /nfs/dbraw/zinc/79/86/34/1188798634.db2.gz QPDOGYMGWADBNJ-LSDHHAIUSA-N 1 3 321.469 0.882 20 0 DCADHO C[NH+]1CCC(CC(=O)N(CCO)CCNC/C=C\Cl)CC1 ZINC001754893475 1188967084 /nfs/dbraw/zinc/96/70/84/1188967084.db2.gz XBEALCPXIYZZAU-DJWKRKHSSA-N 1 3 317.861 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001755015002 1188996581 /nfs/dbraw/zinc/99/65/81/1188996581.db2.gz WPRZOEADUYTHKW-DSYXLKISSA-N 1 3 303.834 0.898 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC(O)(CNCCF)CC1 ZINC001755156042 1189038997 /nfs/dbraw/zinc/03/89/97/1189038997.db2.gz JACMWACDKVLMGQ-UHFFFAOYSA-N 1 3 303.422 0.631 20 0 DCADHO CCOCCN1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001755377591 1189096145 /nfs/dbraw/zinc/09/61/45/1189096145.db2.gz WMMPTUCXHNCULQ-XJKSGUPXSA-N 1 3 309.454 0.801 20 0 DCADHO CN(C)S(=O)(=O)CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001578420345 1165008635 /nfs/dbraw/zinc/00/86/35/1165008635.db2.gz HPJSDFKPGYEVJC-FRRDWIJNSA-N 1 3 303.472 0.634 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001114985081 746985146 /nfs/dbraw/zinc/98/51/46/746985146.db2.gz WPXFZTCDVZPIRY-LJIGWXMPSA-N 1 3 311.470 0.926 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001114985081 746985152 /nfs/dbraw/zinc/98/51/52/746985152.db2.gz WPXFZTCDVZPIRY-LJIGWXMPSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1nc(N2CCCC2)cc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001167185836 747014273 /nfs/dbraw/zinc/01/42/73/747014273.db2.gz OEEMCBIRJBLSDN-OCZCAGDBSA-N 1 3 303.410 0.795 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001167260659 747044580 /nfs/dbraw/zinc/04/45/80/747044580.db2.gz CWLWMDWQNAUBEU-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@H]3CNCC3(F)F)C2)CC1 ZINC001161378732 747330809 /nfs/dbraw/zinc/33/08/09/747330809.db2.gz MHYGPSPHXVKHSK-WCQYABFASA-N 1 3 316.396 0.255 20 0 DCADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)CC2CC2)CC1 ZINC001098561358 747342427 /nfs/dbraw/zinc/34/24/27/747342427.db2.gz AQLCSTMLBNVNJJ-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)CC2CC2)CC1 ZINC001098561358 747342434 /nfs/dbraw/zinc/34/24/34/747342434.db2.gz AQLCSTMLBNVNJJ-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001087261827 747582882 /nfs/dbraw/zinc/58/28/82/747582882.db2.gz BEJJFNYYHFTVPG-LLVKDONJSA-N 1 3 307.398 0.248 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001087261827 747582887 /nfs/dbraw/zinc/58/28/87/747582887.db2.gz BEJJFNYYHFTVPG-LLVKDONJSA-N 1 3 307.398 0.248 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001100683472 747613658 /nfs/dbraw/zinc/61/36/58/747613658.db2.gz DAQNIAXGMWDZIY-RUXDESIVSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001167815367 748368463 /nfs/dbraw/zinc/36/84/63/748368463.db2.gz SBFWBUOJNIYTIA-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO N=C(NCCCC[NH3+])Nc1nc2nc[nH]c2c(N2CCCC2)n1 ZINC001167880629 748460955 /nfs/dbraw/zinc/46/09/55/748460955.db2.gz SCINVJVNCJAFBB-UHFFFAOYSA-N 1 3 317.401 0.628 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001211713882 748473845 /nfs/dbraw/zinc/47/38/45/748473845.db2.gz XRADCUOLWAVWFI-DLBZAZTESA-N 1 3 319.449 0.905 20 0 DCADHO N=C(Nc1ccc(C(=O)N2CCNCC2)cc1)SCC[NH3+] ZINC001167915851 748527567 /nfs/dbraw/zinc/52/75/67/748527567.db2.gz LDVGNBGRFMIQGN-UHFFFAOYSA-N 1 3 307.423 0.771 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(NCc2cnns2)CC1 ZINC001203213623 749641531 /nfs/dbraw/zinc/64/15/31/749641531.db2.gz CXDVRJAHRYTSPP-UHFFFAOYSA-N 1 3 311.455 0.961 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(NCc2cnns2)CC1 ZINC001203213623 749641538 /nfs/dbraw/zinc/64/15/38/749641538.db2.gz CXDVRJAHRYTSPP-UHFFFAOYSA-N 1 3 311.455 0.961 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345671 749926720 /nfs/dbraw/zinc/92/67/20/749926720.db2.gz SCNBCTSYJBKLRX-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299181 750328683 /nfs/dbraw/zinc/32/86/83/750328683.db2.gz SVOKOCKNRIADSW-RRFJBIMHSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001077299181 750328691 /nfs/dbraw/zinc/32/86/91/750328691.db2.gz SVOKOCKNRIADSW-RRFJBIMHSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001077299181 750328698 /nfs/dbraw/zinc/32/86/98/750328698.db2.gz SVOKOCKNRIADSW-RRFJBIMHSA-N 1 3 309.454 0.822 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082315 750878895 /nfs/dbraw/zinc/87/88/95/750878895.db2.gz QDLFXQIEDJNNLL-MRXNPFEDSA-N 1 3 308.470 0.711 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082315 750878903 /nfs/dbraw/zinc/87/89/03/750878903.db2.gz QDLFXQIEDJNNLL-MRXNPFEDSA-N 1 3 308.470 0.711 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001106247000 751062996 /nfs/dbraw/zinc/06/29/96/751062996.db2.gz UCABGFPDPDRWPJ-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044755648 752859963 /nfs/dbraw/zinc/85/99/63/752859963.db2.gz NNOCMCHODAELCV-OLZOCXBDSA-N 1 3 317.397 0.213 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)C1 ZINC001045199873 753086969 /nfs/dbraw/zinc/08/69/69/753086969.db2.gz LQYUQCMGUZKPIF-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045201215 753088903 /nfs/dbraw/zinc/08/89/03/753088903.db2.gz XSOHQXIIKBIHEM-KBPBESRZSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045201215 753088910 /nfs/dbraw/zinc/08/89/10/753088910.db2.gz XSOHQXIIKBIHEM-KBPBESRZSA-N 1 3 320.441 0.380 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001045309324 753138983 /nfs/dbraw/zinc/13/89/83/753138983.db2.gz PHHXZCRLMIZQGR-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001045309324 753138991 /nfs/dbraw/zinc/13/89/91/753138991.db2.gz PHHXZCRLMIZQGR-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO CC[NH+]1CCC(C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001045506721 753221119 /nfs/dbraw/zinc/22/11/19/753221119.db2.gz YVTZPASIADTUNW-XOYHFGRZSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@@H](O)CN1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326449 753646878 /nfs/dbraw/zinc/64/68/78/753646878.db2.gz NCJUMQSMPSLBFO-CZUORRHYSA-N 1 3 323.441 0.020 20 0 DCADHO CN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046903339 754010360 /nfs/dbraw/zinc/01/03/60/754010360.db2.gz PDHVIOLIHVTKQP-CZUORRHYSA-N 1 3 319.409 0.011 20 0 DCADHO CC1CCN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)CC1 ZINC001047165577 754114465 /nfs/dbraw/zinc/11/44/65/754114465.db2.gz RKAYYPGQZWHHMO-JYJNAYRXSA-N 1 3 309.454 0.680 20 0 DCADHO CC1CCN(CC(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)CC1 ZINC001047165577 754114472 /nfs/dbraw/zinc/11/44/72/754114472.db2.gz RKAYYPGQZWHHMO-JYJNAYRXSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)CC[N@@H+]1C ZINC001048526911 754792280 /nfs/dbraw/zinc/79/22/80/754792280.db2.gz FXWISFASGXDRIJ-UXXRCYHCSA-N 1 3 322.453 0.171 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)CC[N@H+]1C ZINC001048526911 754792283 /nfs/dbraw/zinc/79/22/83/754792283.db2.gz FXWISFASGXDRIJ-UXXRCYHCSA-N 1 3 322.453 0.171 20 0 DCADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832515 754966925 /nfs/dbraw/zinc/96/69/25/754966925.db2.gz BZVVUMSJTALBHX-XUWVNRHRSA-N 1 3 307.438 0.648 20 0 DCADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832515 754966928 /nfs/dbraw/zinc/96/69/28/754966928.db2.gz BZVVUMSJTALBHX-XUWVNRHRSA-N 1 3 307.438 0.648 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1)N(C)C ZINC001049064358 755099042 /nfs/dbraw/zinc/09/90/42/755099042.db2.gz DUJBXXVWGBTUGD-XHSDSOJGSA-N 1 3 319.453 0.614 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1)N(C)C ZINC001049064358 755099048 /nfs/dbraw/zinc/09/90/48/755099048.db2.gz DUJBXXVWGBTUGD-XHSDSOJGSA-N 1 3 319.453 0.614 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@@H]2C1 ZINC001049083623 755108293 /nfs/dbraw/zinc/10/82/93/755108293.db2.gz KSDKYXJIQMJPCF-LZWOXQAQSA-N 1 3 318.421 0.912 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@@H]2C1 ZINC001049083623 755108298 /nfs/dbraw/zinc/10/82/98/755108298.db2.gz KSDKYXJIQMJPCF-LZWOXQAQSA-N 1 3 318.421 0.912 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1)C1CC1 ZINC001063365040 755162526 /nfs/dbraw/zinc/16/25/26/755162526.db2.gz KWEXQUJRXFCVEX-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)CC[NH+](C)C)CCC2)C1 ZINC001064364619 755387796 /nfs/dbraw/zinc/38/77/96/755387796.db2.gz GEXCEAGZFFRXNR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001064364938 755388231 /nfs/dbraw/zinc/38/82/31/755388231.db2.gz MLTAXGHLCDZADI-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001168764022 755423795 /nfs/dbraw/zinc/42/37/95/755423795.db2.gz WMQWFZRLIMPZRK-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564873 755681042 /nfs/dbraw/zinc/68/10/42/755681042.db2.gz WOIZEGXJWFXAQC-PQIGMKOUSA-N 1 3 319.449 0.980 20 0 DCADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564873 755681043 /nfs/dbraw/zinc/68/10/43/755681043.db2.gz WOIZEGXJWFXAQC-PQIGMKOUSA-N 1 3 319.449 0.980 20 0 DCADHO C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1NCCF ZINC001054656303 756601159 /nfs/dbraw/zinc/60/11/59/756601159.db2.gz OFFUMSMBHQFSOK-JSGCOSHPSA-N 1 3 311.405 0.464 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001082561653 757188115 /nfs/dbraw/zinc/18/81/15/757188115.db2.gz HYRKBZHQJQYVDV-IJEWVQPXSA-N 1 3 309.454 0.944 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082698490 757234316 /nfs/dbraw/zinc/23/43/16/757234316.db2.gz JYTRZFHRYFCJQZ-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082698490 757234322 /nfs/dbraw/zinc/23/43/22/757234322.db2.gz JYTRZFHRYFCJQZ-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001082743187 757254456 /nfs/dbraw/zinc/25/44/56/757254456.db2.gz MNYDZBVIJHBYBV-JHJVBQTASA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cncn1C ZINC001082861501 757301319 /nfs/dbraw/zinc/30/13/19/757301319.db2.gz CZNIMXIKFGKXEK-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cncn1C ZINC001082861501 757301329 /nfs/dbraw/zinc/30/13/29/757301329.db2.gz CZNIMXIKFGKXEK-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001082943945 757340524 /nfs/dbraw/zinc/34/05/24/757340524.db2.gz SZHIPBLIEXIYIK-NFAWXSAZSA-N 1 3 310.442 0.029 20 0 DCADHO COCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347127 757797198 /nfs/dbraw/zinc/79/71/98/757797198.db2.gz IEVPYMVGCNNFHL-BZUAXINKSA-N 1 3 307.438 0.507 20 0 DCADHO CO[C@H](C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223226 762635092 /nfs/dbraw/zinc/63/50/92/762635092.db2.gz BBLWSAYGFZXFQH-TUVASFSCSA-N 1 3 307.438 0.839 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001051342139 758585000 /nfs/dbraw/zinc/58/50/00/758585000.db2.gz FOEZMZHXSPVWAS-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3cccnc3)C2)C1 ZINC001051930187 759042871 /nfs/dbraw/zinc/04/28/71/759042871.db2.gz JTTOHSOUKCBAOP-HZPDHXFCSA-N 1 3 318.421 0.350 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCc3cccnc3)C2)C1 ZINC001051930187 759042880 /nfs/dbraw/zinc/04/28/80/759042880.db2.gz JTTOHSOUKCBAOP-HZPDHXFCSA-N 1 3 318.421 0.350 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099987188 759124143 /nfs/dbraw/zinc/12/41/43/759124143.db2.gz WERXIZSIIKICQE-CVEARBPZSA-N 1 3 309.454 0.990 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001052042559 759137014 /nfs/dbraw/zinc/13/70/14/759137014.db2.gz DHKYIFKAKLMUNT-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CCCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117331 759189043 /nfs/dbraw/zinc/18/90/43/759189043.db2.gz KTMTVJKAYYUOMD-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117331 759189048 /nfs/dbraw/zinc/18/90/48/759189048.db2.gz KTMTVJKAYYUOMD-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1CCC(N(CCO)CCF)CC1)C1CC1 ZINC001098391545 759212738 /nfs/dbraw/zinc/21/27/38/759212738.db2.gz FJLDHSLZPKMJIQ-HNNXBMFYSA-N 1 3 315.433 0.581 20 0 DCADHO COCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782636 759303555 /nfs/dbraw/zinc/30/35/55/759303555.db2.gz ZQJCONIKFIXOCY-HUUCEWRRSA-N 1 3 313.442 0.275 20 0 DCADHO COCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085782636 759303562 /nfs/dbraw/zinc/30/35/62/759303562.db2.gz ZQJCONIKFIXOCY-HUUCEWRRSA-N 1 3 313.442 0.275 20 0 DCADHO COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C(C)C)CCO1 ZINC001085782636 759303572 /nfs/dbraw/zinc/30/35/72/759303572.db2.gz ZQJCONIKFIXOCY-HUUCEWRRSA-N 1 3 313.442 0.275 20 0 DCADHO COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C(C)C)CCO1 ZINC001085782636 759303583 /nfs/dbraw/zinc/30/35/83/759303583.db2.gz ZQJCONIKFIXOCY-HUUCEWRRSA-N 1 3 313.442 0.275 20 0 DCADHO Cc1nc(C)c(CNCCNC(=O)COCC[NH+](C)C)s1 ZINC001147842455 767859247 /nfs/dbraw/zinc/85/92/47/767859247.db2.gz YOIBZCRZLQOOIW-UHFFFAOYSA-N 1 3 314.455 0.544 20 0 DCADHO COc1cc(CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001147878292 767870513 /nfs/dbraw/zinc/87/05/13/767870513.db2.gz XNGKLKXPUDXUQS-AWEZNQCLSA-N 1 3 306.410 0.638 20 0 DCADHO COc1cc(CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001147878292 767870520 /nfs/dbraw/zinc/87/05/20/767870520.db2.gz XNGKLKXPUDXUQS-AWEZNQCLSA-N 1 3 306.410 0.638 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001147877864 767871401 /nfs/dbraw/zinc/87/14/01/767871401.db2.gz OIPNRGOMBJHVGJ-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001147877864 767871408 /nfs/dbraw/zinc/87/14/08/767871408.db2.gz OIPNRGOMBJHVGJ-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001147900227 767878269 /nfs/dbraw/zinc/87/82/69/767878269.db2.gz KGIOCXZVFZRWCS-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001147900227 767878276 /nfs/dbraw/zinc/87/82/76/767878276.db2.gz KGIOCXZVFZRWCS-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086151317 759768585 /nfs/dbraw/zinc/76/85/85/759768585.db2.gz WACNCIPIYVZXEZ-FWPNWONVSA-N 1 3 307.438 0.744 20 0 DCADHO CC(C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086151201 759768788 /nfs/dbraw/zinc/76/87/88/759768788.db2.gz RBPITDAHCGGDJP-FWPNWONVSA-N 1 3 307.438 0.742 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000087 767893297 /nfs/dbraw/zinc/89/32/97/767893297.db2.gz JRPVZRMJANPSSF-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086278036 759944688 /nfs/dbraw/zinc/94/46/88/759944688.db2.gz DYZNFNGANQGOQI-BARDWOONSA-N 1 3 322.453 0.234 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001100124577 760441276 /nfs/dbraw/zinc/44/12/76/760441276.db2.gz KKZIRUGJGCVYOR-GJZGRUSLSA-N 1 3 315.433 0.773 20 0 DCADHO C[NH+]1CCC(COc2cnc(-n3nncc3CN)nc2)CC1 ZINC001169308224 760640067 /nfs/dbraw/zinc/64/00/67/760640067.db2.gz KPGQXBQDMXYXLF-UHFFFAOYSA-N 1 3 303.370 0.237 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc(C(N)=O)cc2)CCC1 ZINC001129351753 760950045 /nfs/dbraw/zinc/95/00/45/760950045.db2.gz OXXCDNKWPCNRLO-UHFFFAOYSA-N 1 3 318.421 0.476 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091742560 768029950 /nfs/dbraw/zinc/02/99/50/768029950.db2.gz AGRMLQWHZZZPIB-VBQJREDUSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091742560 768029954 /nfs/dbraw/zinc/02/99/54/768029954.db2.gz AGRMLQWHZZZPIB-VBQJREDUSA-N 1 3 309.454 0.632 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC001148656121 768024984 /nfs/dbraw/zinc/02/49/84/768024984.db2.gz VVQVVLMHMBUDEZ-CYBMUJFWSA-N 1 3 324.425 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070754620 761432063 /nfs/dbraw/zinc/43/20/63/761432063.db2.gz OPIJLVPKKGWKPH-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070754620 761432067 /nfs/dbraw/zinc/43/20/67/761432067.db2.gz OPIJLVPKKGWKPH-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCN(c2ccc(C(=O)NCC[NH2+]CCO)cc2)CC1 ZINC001149005479 768065575 /nfs/dbraw/zinc/06/55/75/768065575.db2.gz GSGUERAWEKLUGZ-UHFFFAOYSA-N 1 3 320.437 0.140 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001129421532 762933301 /nfs/dbraw/zinc/93/33/01/762933301.db2.gz ACDBPQWUKBDORF-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1=O ZINC001129421532 762933302 /nfs/dbraw/zinc/93/33/02/762933302.db2.gz ACDBPQWUKBDORF-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001129422334 762935028 /nfs/dbraw/zinc/93/50/28/762935028.db2.gz HLQZEYGBPWOMRB-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001129422334 762935031 /nfs/dbraw/zinc/93/50/31/762935031.db2.gz HLQZEYGBPWOMRB-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001129429733 762940714 /nfs/dbraw/zinc/94/07/14/762940714.db2.gz KMVIQSHVQCFWHW-UONOGXRCSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001129429733 762940719 /nfs/dbraw/zinc/94/07/19/762940719.db2.gz KMVIQSHVQCFWHW-UONOGXRCSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435649 762942708 /nfs/dbraw/zinc/94/27/08/762942708.db2.gz IGUMOZBOWXEETR-CJNGLKHVSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)C1CCC1 ZINC001129531708 762953697 /nfs/dbraw/zinc/95/36/97/762953697.db2.gz GULXDPYIBARAMV-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC1CCCC1 ZINC001129535680 762961745 /nfs/dbraw/zinc/96/17/45/762961745.db2.gz YBFPIYIDRRDMLF-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001176753622 770169092 /nfs/dbraw/zinc/16/90/92/770169092.db2.gz IZRPBNHRJFVTMC-STQMWFEESA-N 1 3 300.447 0.465 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCCCCn1cncn1)N(C)C ZINC001130205304 763178397 /nfs/dbraw/zinc/17/83/97/763178397.db2.gz JWPXQLKLAFAJME-CQSZACIVSA-N 1 3 310.446 0.494 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O)CC(C)(C)C ZINC001100013578 763215806 /nfs/dbraw/zinc/21/58/06/763215806.db2.gz PILGEGCLJXCKRN-KGLIPLIRSA-N 1 3 317.449 0.875 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O)CC(C)(C)C ZINC001100013578 763215816 /nfs/dbraw/zinc/21/58/16/763215816.db2.gz PILGEGCLJXCKRN-KGLIPLIRSA-N 1 3 317.449 0.875 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421729 763293791 /nfs/dbraw/zinc/29/37/91/763293791.db2.gz HLNJAUYPZILDLF-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421729 763293796 /nfs/dbraw/zinc/29/37/96/763293796.db2.gz HLNJAUYPZILDLF-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556694 763381246 /nfs/dbraw/zinc/38/12/46/763381246.db2.gz SOTCVUPHRHKLDI-UHFFFAOYSA-N 1 3 321.425 0.138 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNCC(=O)N1CCC1 ZINC001130615817 763398199 /nfs/dbraw/zinc/39/81/99/763398199.db2.gz RWNXRFMSDSKYBA-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNCC(=O)N1CCC1 ZINC001130615817 763398207 /nfs/dbraw/zinc/39/82/07/763398207.db2.gz RWNXRFMSDSKYBA-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](NCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001130622372 763405271 /nfs/dbraw/zinc/40/52/71/763405271.db2.gz FTSPUGBXPVDCOK-ZDUSSCGKSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](NCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001130622372 763405275 /nfs/dbraw/zinc/40/52/75/763405275.db2.gz FTSPUGBXPVDCOK-ZDUSSCGKSA-N 1 3 312.458 0.609 20 0 DCADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC001100408106 763558144 /nfs/dbraw/zinc/55/81/44/763558144.db2.gz VHNBFFZLXBWURW-MOQPWLNLSA-N 1 3 319.453 0.745 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001100410598 763560532 /nfs/dbraw/zinc/56/05/32/763560532.db2.gz DSROMYGVVNGNDF-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001100651901 763703387 /nfs/dbraw/zinc/70/33/87/763703387.db2.gz OUNBPFNFTXUFKG-LDZOIKDWSA-N 1 3 324.469 0.336 20 0 DCADHO COC(OC)c1c(C[NH3+])ccnc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170562348 763827990 /nfs/dbraw/zinc/82/79/90/763827990.db2.gz ILYJCEPVTNTBJM-JQWIXIFHSA-N 1 3 310.398 0.621 20 0 DCADHO Cc1ncoc1CNC1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870863 763834448 /nfs/dbraw/zinc/83/44/48/763834448.db2.gz PRZSAGDMWSFDPC-UHFFFAOYSA-N 1 3 324.425 0.546 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1C)N(C)C ZINC001102377651 764620452 /nfs/dbraw/zinc/62/04/52/764620452.db2.gz APTQMONNTXSYPD-TUVASFSCSA-N 1 3 315.458 0.018 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C)N(C)C ZINC001102377651 764620454 /nfs/dbraw/zinc/62/04/54/764620454.db2.gz APTQMONNTXSYPD-TUVASFSCSA-N 1 3 315.458 0.018 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C)N(C)C ZINC001102380546 764621734 /nfs/dbraw/zinc/62/17/34/764621734.db2.gz LYISYNWSJSTPHV-OAGGEKHMSA-N 1 3 321.469 0.907 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C)N(C)C ZINC001102380546 764621738 /nfs/dbraw/zinc/62/17/38/764621738.db2.gz LYISYNWSJSTPHV-OAGGEKHMSA-N 1 3 321.469 0.907 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893078 764713279 /nfs/dbraw/zinc/71/32/79/764713279.db2.gz JSHKDBZEEBJEMM-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893078 764713284 /nfs/dbraw/zinc/71/32/84/764713284.db2.gz JSHKDBZEEBJEMM-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995269 764784279 /nfs/dbraw/zinc/78/42/79/764784279.db2.gz PUJTXDKOIAVKOV-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001133194851 764869634 /nfs/dbraw/zinc/86/96/34/764869634.db2.gz LUXOSSVOYITGOU-HUUCEWRRSA-N 1 3 324.469 0.278 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133287891 764907046 /nfs/dbraw/zinc/90/70/46/764907046.db2.gz OVHCQGJCVOPKEZ-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083755 764938300 /nfs/dbraw/zinc/93/83/00/764938300.db2.gz HXGOPWQIFWCACG-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083755 764938303 /nfs/dbraw/zinc/93/83/03/764938303.db2.gz HXGOPWQIFWCACG-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001092301781 768260579 /nfs/dbraw/zinc/26/05/79/768260579.db2.gz MXDQRPFRDCIHGX-VYDXJSESSA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001092301781 768260583 /nfs/dbraw/zinc/26/05/83/768260583.db2.gz MXDQRPFRDCIHGX-VYDXJSESSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001133850936 765170317 /nfs/dbraw/zinc/17/03/17/765170317.db2.gz RYKNDWDYBGJIRZ-HUUCEWRRSA-N 1 3 313.442 0.230 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001133850593 765170409 /nfs/dbraw/zinc/17/04/09/765170409.db2.gz NVXMBIOYGLIHMH-GJZGRUSLSA-N 1 3 313.442 0.230 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849613 765181402 /nfs/dbraw/zinc/18/14/02/765181402.db2.gz APOGCQOZVWVNPA-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849613 765181406 /nfs/dbraw/zinc/18/14/06/765181406.db2.gz APOGCQOZVWVNPA-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133869893 765197435 /nfs/dbraw/zinc/19/74/35/765197435.db2.gz NHMBPITXQWRDMS-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133869893 765197442 /nfs/dbraw/zinc/19/74/42/765197442.db2.gz NHMBPITXQWRDMS-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN2CCC(C)(C)C2)n1 ZINC001133893294 765211737 /nfs/dbraw/zinc/21/17/37/765211737.db2.gz BGBMRXYUDYRLGR-UHFFFAOYSA-N 1 3 322.457 0.333 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001133968022 765260180 /nfs/dbraw/zinc/26/01/80/765260180.db2.gz KQBYIEGXAGUXGY-NEPJUHHUSA-N 1 3 300.447 0.336 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)N(C)C ZINC001112425398 765531566 /nfs/dbraw/zinc/53/15/66/765531566.db2.gz LDKYCIGYBYAAOD-ZENOOKHLSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001134607454 765599934 /nfs/dbraw/zinc/59/99/34/765599934.db2.gz HOFTUEPXFWLCGV-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134774458 765666362 /nfs/dbraw/zinc/66/63/62/765666362.db2.gz YKKFCTFEXOOOFX-UONOGXRCSA-N 1 3 317.474 0.599 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780528 765671170 /nfs/dbraw/zinc/67/11/70/765671170.db2.gz KLDBVLQLBJGWJS-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO OC[C@@H]1C[NH2+]C[C@H]1Nc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001170778998 765730733 /nfs/dbraw/zinc/73/07/33/765730733.db2.gz ONFMHQISGDTMHV-MELADBBJSA-N 1 3 303.410 0.278 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H]1CCCNC1=O)C(C)C ZINC001135477306 765950415 /nfs/dbraw/zinc/95/04/15/765950415.db2.gz BCBOBKXCPAZYMF-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001135706344 766063260 /nfs/dbraw/zinc/06/32/60/766063260.db2.gz SSKDABXTYJPBSQ-KGLIPLIRSA-N 1 3 303.447 0.210 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135743390 766085509 /nfs/dbraw/zinc/08/55/09/766085509.db2.gz JTNZKMPRMSSRCW-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001135744126 766086324 /nfs/dbraw/zinc/08/63/24/766086324.db2.gz WDOYEHZJYPYYFL-STQMWFEESA-N 1 3 321.487 0.246 20 0 DCADHO C[NH+]1CCC(OCC(=O)NCCNCc2cccnc2)CC1 ZINC001135958492 766191963 /nfs/dbraw/zinc/19/19/63/766191963.db2.gz ANFLRGSLVOWVOZ-UHFFFAOYSA-N 1 3 306.410 0.398 20 0 DCADHO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC001118199753 766253501 /nfs/dbraw/zinc/25/35/01/766253501.db2.gz SMHWOLYCMAFOPE-LBPRGKRZSA-N 1 3 307.385 0.928 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@H+](CC)CCCO1 ZINC001149803659 768864124 /nfs/dbraw/zinc/86/41/24/768864124.db2.gz BZRBTGZSXKNTHM-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@H]1C[N@@H+](CC)CCCO1 ZINC001149803659 768864136 /nfs/dbraw/zinc/86/41/36/768864136.db2.gz BZRBTGZSXKNTHM-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159931629 766307593 /nfs/dbraw/zinc/30/75/93/766307593.db2.gz HENXJPBMARNARG-TZMCWYRMSA-N 1 3 312.458 0.337 20 0 DCADHO CN1CCN(CC[NH2+]CC2CCS(=O)(=O)CC2)CC1(C)C ZINC001119245247 766608130 /nfs/dbraw/zinc/60/81/30/766608130.db2.gz OBAMACOBTUEMBJ-UHFFFAOYSA-N 1 3 317.499 0.427 20 0 DCADHO CC[NH+]1CCN(CCCCNC(=O)c2ncoc2CN)CC1 ZINC001119354441 766643726 /nfs/dbraw/zinc/64/37/26/766643726.db2.gz BFPLANNLGJCQKX-UHFFFAOYSA-N 1 3 309.414 0.281 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160425917 766705560 /nfs/dbraw/zinc/70/55/60/766705560.db2.gz AATWUWSNGYVVPX-HNNXBMFYSA-N 1 3 314.474 0.585 20 0 DCADHO O=C(NCC1CC([NH2+]CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001091150838 766961006 /nfs/dbraw/zinc/96/10/06/766961006.db2.gz BOQYRNINODNJLG-QFQXCOSMSA-N 1 3 319.449 0.744 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120440461 767015734 /nfs/dbraw/zinc/01/57/34/767015734.db2.gz NJRPSHNQFZIODT-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120440461 767015746 /nfs/dbraw/zinc/01/57/46/767015746.db2.gz NJRPSHNQFZIODT-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120470198 767026991 /nfs/dbraw/zinc/02/69/91/767026991.db2.gz PBHSGPLDYBOAKE-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120470198 767026999 /nfs/dbraw/zinc/02/69/99/767026999.db2.gz PBHSGPLDYBOAKE-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO Cc1oncc1CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091364524 767209545 /nfs/dbraw/zinc/20/95/45/767209545.db2.gz HQYDTHNZSXBKLM-OWYJLGKBSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091364524 767209548 /nfs/dbraw/zinc/20/95/48/767209548.db2.gz HQYDTHNZSXBKLM-OWYJLGKBSA-N 1 3 306.410 0.919 20 0 DCADHO N[C@H](C(=O)N1CC[C@@]2(C1)CC(F)(F)CO2)C1CC[NH2+]CC1 ZINC001160771843 767304126 /nfs/dbraw/zinc/30/41/26/767304126.db2.gz HQZZWYXIAKXVIJ-AAEUAGOBSA-N 1 3 303.353 0.340 20 0 DCADHO C[C@@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001171261401 767328019 /nfs/dbraw/zinc/32/80/19/767328019.db2.gz UQBYXOMZGIDDEW-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1)C(N)=O ZINC001121245070 767478546 /nfs/dbraw/zinc/47/85/46/767478546.db2.gz DCSVIFQBUUVJHS-ABYUSTQTSA-N 1 3 322.453 0.217 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001146603682 767488241 /nfs/dbraw/zinc/48/82/41/767488241.db2.gz YLGWBMRIYJWOCZ-UONOGXRCSA-N 1 3 310.446 0.491 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001149123545 767638415 /nfs/dbraw/zinc/63/84/15/767638415.db2.gz LLIXKYUGYCXXGL-VIFPVBQESA-N 1 3 308.304 0.280 20 0 DCADHO Cc1cnc(CNCCCNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001171294648 767643554 /nfs/dbraw/zinc/64/35/54/767643554.db2.gz VGICIOBRBSRCNC-UHFFFAOYSA-N 1 3 303.410 0.477 20 0 DCADHO C[C@@H](CNC(=O)CCSCCC[NH3+])CN1CCN(C)CC1 ZINC001121927942 767671277 /nfs/dbraw/zinc/67/12/77/767671277.db2.gz KFPKADVJNAIOCP-AWEZNQCLSA-N 1 3 316.515 0.458 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@H](C)O1 ZINC001121987910 767690760 /nfs/dbraw/zinc/69/07/60/767690760.db2.gz DYWTURGNOMIEFJ-LEOABGAYSA-N 1 3 309.454 0.848 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333596 767712233 /nfs/dbraw/zinc/71/22/33/767712233.db2.gz QNZLXCXPXZXHRT-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)CCC1 ZINC001149842761 768880586 /nfs/dbraw/zinc/88/05/86/768880586.db2.gz ZDACKJUWFVWGND-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)CCC1 ZINC001149842761 768880599 /nfs/dbraw/zinc/88/05/99/768880599.db2.gz ZDACKJUWFVWGND-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1)N(C)C ZINC001149895736 768905241 /nfs/dbraw/zinc/90/52/41/768905241.db2.gz LKMNFJCOGWKUBJ-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCF)CCCO1)N(C)C ZINC001149895736 768905234 /nfs/dbraw/zinc/90/52/34/768905234.db2.gz LKMNFJCOGWKUBJ-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](CCCOC)CCCO1)N(C)C ZINC001149888359 768924534 /nfs/dbraw/zinc/92/45/34/768924534.db2.gz JNKYOEISPSNAQC-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](CCCOC)CCCO1)N(C)C ZINC001149888359 768924538 /nfs/dbraw/zinc/92/45/38/768924538.db2.gz JNKYOEISPSNAQC-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192597 769034178 /nfs/dbraw/zinc/03/41/78/769034178.db2.gz GNEDJIYUZHACQQ-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001151048391 769243749 /nfs/dbraw/zinc/24/37/49/769243749.db2.gz ASZDHRJRUOFNCI-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001151048391 769243759 /nfs/dbraw/zinc/24/37/59/769243759.db2.gz ASZDHRJRUOFNCI-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)CN(C)CCC)C(N)=O ZINC001171770672 769372723 /nfs/dbraw/zinc/37/27/23/769372723.db2.gz WYTBXFOKVCYUSF-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CCN(CC)C(=O)C2)CC1 ZINC001172043865 769423148 /nfs/dbraw/zinc/42/31/48/769423148.db2.gz RQNFPHGWWRCBPB-CYBMUJFWSA-N 1 3 311.426 0.744 20 0 DCADHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CCN(CC)C(=O)C2)CC1 ZINC001172043865 769423150 /nfs/dbraw/zinc/42/31/50/769423150.db2.gz RQNFPHGWWRCBPB-CYBMUJFWSA-N 1 3 311.426 0.744 20 0 DCADHO CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)C(=O)NCC(N)=O ZINC001172108939 769436348 /nfs/dbraw/zinc/43/63/48/769436348.db2.gz FVEJTZZWDPWDGN-XQLPTFJDSA-N 1 3 324.469 0.608 20 0 DCADHO C[NH+](C)CCN1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CCC1=O ZINC001172180751 769455472 /nfs/dbraw/zinc/45/54/72/769455472.db2.gz UZIPEBZDIFXFOP-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCN1CC[N@@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)CCC1=O ZINC001172180751 769455479 /nfs/dbraw/zinc/45/54/79/769455479.db2.gz UZIPEBZDIFXFOP-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCN1CC[N@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)CCC1=O ZINC001172180751 769455482 /nfs/dbraw/zinc/45/54/82/769455482.db2.gz UZIPEBZDIFXFOP-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152237265 769513541 /nfs/dbraw/zinc/51/35/41/769513541.db2.gz LDIHKTAHFVHDQH-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO COC(=O)c1ccc(C[C@H](C)NC[C@@H](C[NH3+])C(=O)OC)cc1 ZINC001173711857 769702597 /nfs/dbraw/zinc/70/25/97/769702597.db2.gz NOLLITUCUADVEP-SMDDNHRTSA-N 1 3 308.378 0.742 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)NCCNCC(=O)N1CCCC1 ZINC001153309361 769779480 /nfs/dbraw/zinc/77/94/80/769779480.db2.gz OCPVQBCPXDUOIM-UHFFFAOYSA-N 1 3 324.469 0.581 20 0 DCADHO Cc1ncccc1NC(=O)[C@H]1COC[C@H]2C[N@@H+](C[C@@H](C)N)C[C@H]21 ZINC001235518384 769871833 /nfs/dbraw/zinc/87/18/33/769871833.db2.gz LBVMJKXYFHJMLT-NGFQHRJXSA-N 1 3 318.421 0.870 20 0 DCADHO Cc1ncccc1NC(=O)[C@H]1COC[C@H]2C[N@H+](C[C@@H](C)N)C[C@H]21 ZINC001235518384 769871846 /nfs/dbraw/zinc/87/18/46/769871846.db2.gz LBVMJKXYFHJMLT-NGFQHRJXSA-N 1 3 318.421 0.870 20 0 DCADHO CC1(N2CCN(Cc3ccc4n3CCNC4)CC2)CC[NH2+]CC1 ZINC001235815530 769950635 /nfs/dbraw/zinc/95/06/35/769950635.db2.gz LVFJHTKZNVSKCL-UHFFFAOYSA-N 1 3 317.481 0.851 20 0 DCADHO c1cc(N2CC[NH2+]CC2)ncc1CN1CC[C@H]2COC[C@@H](C1)N2 ZINC001235987858 769965670 /nfs/dbraw/zinc/96/56/70/769965670.db2.gz WXYJVTNARWVDOY-JKSUJKDBSA-N 1 3 317.437 0.054 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cnsc3)C[C@H]1C2 ZINC001236025961 769970407 /nfs/dbraw/zinc/97/04/07/769970407.db2.gz ABKPJOBGTWBKQL-COMQUAJESA-N 1 3 307.419 0.974 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930523 770007431 /nfs/dbraw/zinc/00/74/31/770007431.db2.gz ODVIBSRUALEWBC-ILXRZTDVSA-N 1 3 317.474 0.407 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153930523 770007442 /nfs/dbraw/zinc/00/74/42/770007442.db2.gz ODVIBSRUALEWBC-ILXRZTDVSA-N 1 3 317.474 0.407 20 0 DCADHO [NH3+]CCS(=O)(=O)[N-]c1c(F)cccc1N1CCC([NH3+])CC1 ZINC001237854032 770084009 /nfs/dbraw/zinc/08/40/09/770084009.db2.gz RIRSFZGEAMXSLX-UHFFFAOYSA-N 1 3 316.402 0.454 20 0 DCADHO COc1ccc(F)cc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238878742 770139806 /nfs/dbraw/zinc/13/98/06/770139806.db2.gz KZYZYEFSYHKFBJ-UHFFFAOYSA-N 1 3 319.402 0.441 20 0 DCADHO Cc1cccc(S(=O)(=O)NCCC[NH2+]CCCN)c1F ZINC001238879587 770140136 /nfs/dbraw/zinc/14/01/36/770140136.db2.gz TZZBYDFKGRJIBJ-UHFFFAOYSA-N 1 3 303.403 0.741 20 0 DCADHO [NH3+]CCS(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001239099726 770179776 /nfs/dbraw/zinc/17/97/76/770179776.db2.gz WPYSPXNDBAKIRX-INIZCTEOSA-N 1 3 323.462 0.873 20 0 DCADHO CC(C)NC(=O)NCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975904 770266144 /nfs/dbraw/zinc/26/61/44/770266144.db2.gz ZYULQYGBBZAAOB-UHFFFAOYSA-N 1 3 315.462 0.130 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001176986413 770273247 /nfs/dbraw/zinc/27/32/47/770273247.db2.gz NLEIVCRGCRHEBR-AWEZNQCLSA-N 1 3 308.430 0.285 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001176986757 770273461 /nfs/dbraw/zinc/27/34/61/770273461.db2.gz VHGKVEHIVLAFRS-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001176986756 770273831 /nfs/dbraw/zinc/27/38/31/770273831.db2.gz VHGKVEHIVLAFRS-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCn1cccn1 ZINC001176992387 770282701 /nfs/dbraw/zinc/28/27/01/770282701.db2.gz NPRHMRUWQBXGCX-OAHLLOKOSA-N 1 3 307.442 0.853 20 0 DCADHO CC[N@H+](CCF)[C@H](C)CNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001154837037 770311875 /nfs/dbraw/zinc/31/18/75/770311875.db2.gz ITFGEKTXBJKIND-ZIAGYGMSSA-N 1 3 303.422 0.892 20 0 DCADHO CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001154837037 770311887 /nfs/dbraw/zinc/31/18/87/770311887.db2.gz ITFGEKTXBJKIND-ZIAGYGMSSA-N 1 3 303.422 0.892 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909018 770337119 /nfs/dbraw/zinc/33/71/19/770337119.db2.gz HZOMDXDWMILLKS-CQSZACIVSA-N 1 3 310.446 0.447 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156194601 770746604 /nfs/dbraw/zinc/74/66/04/770746604.db2.gz VCQURRYIKYDAHM-CQSZACIVSA-N 1 3 310.446 0.447 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194601 770746608 /nfs/dbraw/zinc/74/66/08/770746608.db2.gz VCQURRYIKYDAHM-CQSZACIVSA-N 1 3 310.446 0.447 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001178692401 770836606 /nfs/dbraw/zinc/83/66/06/770836606.db2.gz NGMLNTYKHXGWGA-XHSDSOJGSA-N 1 3 308.470 0.708 20 0 DCADHO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001178693157 770838008 /nfs/dbraw/zinc/83/80/08/770838008.db2.gz YCEYUXBJCZUXBT-XHSDSOJGSA-N 1 3 307.438 0.792 20 0 DCADHO C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001178693157 770838021 /nfs/dbraw/zinc/83/80/21/770838021.db2.gz YCEYUXBJCZUXBT-XHSDSOJGSA-N 1 3 307.438 0.792 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O ZINC001178853430 770882153 /nfs/dbraw/zinc/88/21/53/770882153.db2.gz JHLDQWUJEOFQTA-ZDUSSCGKSA-N 1 3 314.474 0.857 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)[C@@H]1C ZINC001179763684 771013540 /nfs/dbraw/zinc/01/35/40/771013540.db2.gz OQCOPPXUYNJWLI-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)[C@@H]1C ZINC001179852443 771024189 /nfs/dbraw/zinc/02/41/89/771024189.db2.gz PIAMDUJFZCENSM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)[C@@H]1C ZINC001179852443 771024195 /nfs/dbraw/zinc/02/41/95/771024195.db2.gz PIAMDUJFZCENSM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179924914 771035207 /nfs/dbraw/zinc/03/52/07/771035207.db2.gz GTRHJKCDEWKANZ-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924914 771035212 /nfs/dbraw/zinc/03/52/12/771035212.db2.gz GTRHJKCDEWKANZ-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)[C@@H]1C ZINC001179983063 771044122 /nfs/dbraw/zinc/04/41/22/771044122.db2.gz KIASGZPGOJHTQH-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC ZINC001180123607 771065743 /nfs/dbraw/zinc/06/57/43/771065743.db2.gz IRKRSZDCQBNBNH-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)[C@@H]1C ZINC001180226738 771077677 /nfs/dbraw/zinc/07/76/77/771077677.db2.gz JPKFMATXMDAPDN-KKUMJFAQSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001180226840 771078189 /nfs/dbraw/zinc/07/81/89/771078189.db2.gz OQBYOHMGLYTFNC-MELADBBJSA-N 1 3 310.442 0.136 20 0 DCADHO C[NH+](C)CCCOc1ccc(CN2C[C@H](O)[C@H](CO)C2)cc1 ZINC001204263902 771081662 /nfs/dbraw/zinc/08/16/62/771081662.db2.gz PBYLXBNBZIMXPP-RDJZCZTQSA-N 1 3 308.422 0.802 20 0 DCADHO CC[C@@H]([NH2+]CCCCCCNC(=O)CN(C)C(C)C)C(N)=O ZINC001180369760 771114431 /nfs/dbraw/zinc/11/44/31/771114431.db2.gz WBJYXVLPEORQFZ-CQSZACIVSA-N 1 3 314.474 0.857 20 0 DCADHO COc1cnccc1[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001157082111 771529354 /nfs/dbraw/zinc/52/93/54/771529354.db2.gz IEEXMGOHVNZLDS-GXTWGEPZSA-N 1 3 324.450 0.677 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001182692126 771534693 /nfs/dbraw/zinc/53/46/93/771534693.db2.gz DQHBUZWLFCBQLE-QLFBSQMISA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001182692126 771534700 /nfs/dbraw/zinc/53/47/00/771534700.db2.gz DQHBUZWLFCBQLE-QLFBSQMISA-N 1 3 322.453 0.186 20 0 DCADHO CCOC(=O)c1cnc(CC)nc1NC(=N)NCCCC[NH3+] ZINC001157101814 771535502 /nfs/dbraw/zinc/53/55/02/771535502.db2.gz PEYRMHUFXKYRJV-UHFFFAOYSA-N 1 3 308.386 0.891 20 0 DCADHO N[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C[C@H]1F ZINC001157544717 771629428 /nfs/dbraw/zinc/62/94/28/771629428.db2.gz IEQMKPHKHKPGMJ-GUSZCTEKSA-N 1 3 318.396 0.220 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183254771 771630087 /nfs/dbraw/zinc/63/00/87/771630087.db2.gz FNZVKNUOYIVBEK-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183254771 771630090 /nfs/dbraw/zinc/63/00/90/771630090.db2.gz FNZVKNUOYIVBEK-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183255227 771630145 /nfs/dbraw/zinc/63/01/45/771630145.db2.gz LHSYZWJFKYFACD-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183255227 771630149 /nfs/dbraw/zinc/63/01/49/771630149.db2.gz LHSYZWJFKYFACD-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)C1CC1 ZINC001183266821 771630768 /nfs/dbraw/zinc/63/07/68/771630768.db2.gz FYVRRNQPBLIAMZ-CABCVRRESA-N 1 3 322.453 0.043 20 0 DCADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001157579870 771636265 /nfs/dbraw/zinc/63/62/65/771636265.db2.gz RKCLWJIBNQJYDA-SJLPKXTDSA-N 1 3 320.481 0.662 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@](O)(CF)CC1 ZINC001157780016 771670507 /nfs/dbraw/zinc/67/05/07/771670507.db2.gz AEBPBZJAONOEFO-XJKSGUPXSA-N 1 3 313.417 0.574 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@](O)(CF)CC1 ZINC001157780016 771670511 /nfs/dbraw/zinc/67/05/11/771670511.db2.gz AEBPBZJAONOEFO-XJKSGUPXSA-N 1 3 313.417 0.574 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001183593328 771672558 /nfs/dbraw/zinc/67/25/58/771672558.db2.gz VZVUAXRGWMFMGG-MRVWCRGKSA-N 1 3 310.442 0.184 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001157925272 771694869 /nfs/dbraw/zinc/69/48/69/771694869.db2.gz LGUVJWAKVPRHPY-NGZCFLSTSA-N 1 3 315.311 0.307 20 0 DCADHO O=C(N1CCC(OC2CCC2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157960105 771703210 /nfs/dbraw/zinc/70/32/10/771703210.db2.gz HYAYDKYMGHZWSW-CXAGYDPISA-N 1 3 307.438 0.746 20 0 DCADHO COC[C@H](O)C[NH2+]CCCNC(=O)C(C)(C)N1CCCCC1 ZINC001158073416 771721795 /nfs/dbraw/zinc/72/17/95/771721795.db2.gz NCKWGEOTTCXPHA-CQSZACIVSA-N 1 3 315.458 0.354 20 0 DCADHO CC(C)(C(=O)NCCC[NH2+]CCOCCO)N1CCCCC1 ZINC001158073839 771721974 /nfs/dbraw/zinc/72/19/74/771721974.db2.gz RHPAYGWVOWBZIY-UHFFFAOYSA-N 1 3 315.458 0.356 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305118 771755989 /nfs/dbraw/zinc/75/59/89/771755989.db2.gz CNLGANBLRKUJRS-XHSDSOJGSA-N 1 3 303.406 0.612 20 0 DCADHO NC1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CC[NH2+]CC1 ZINC001158335694 771760836 /nfs/dbraw/zinc/76/08/36/771760836.db2.gz DYCPKWKPKDEJDT-LSDHHAIUSA-N 1 3 300.406 0.165 20 0 DCADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158535527 771787453 /nfs/dbraw/zinc/78/74/53/771787453.db2.gz WYDSNJGZBUESMM-IGCXYCKISA-N 1 3 321.421 0.415 20 0 DCADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158535527 771787456 /nfs/dbraw/zinc/78/74/56/771787456.db2.gz WYDSNJGZBUESMM-IGCXYCKISA-N 1 3 321.421 0.415 20 0 DCADHO CN1CCC(N(c2cncc(C(N)=O)n2)C2CC[NH2+]CC2)CC1 ZINC001158575638 771792154 /nfs/dbraw/zinc/79/21/54/771792154.db2.gz OUKXYTAHRWDCLI-UHFFFAOYSA-N 1 3 318.425 0.228 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184553981 771798380 /nfs/dbraw/zinc/79/83/80/771798380.db2.gz HCRYKQNVEYSWCC-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184608987 771805903 /nfs/dbraw/zinc/80/59/03/771805903.db2.gz GXYRRPHAGPJDEQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184608987 771805909 /nfs/dbraw/zinc/80/59/09/771805909.db2.gz GXYRRPHAGPJDEQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1)C(N)=O ZINC001184609846 771806382 /nfs/dbraw/zinc/80/63/82/771806382.db2.gz WDSWHQRWBANHSM-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1)C(N)=O ZINC001184609846 771806387 /nfs/dbraw/zinc/80/63/87/771806387.db2.gz WDSWHQRWBANHSM-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC)C2)C1 ZINC001185090045 771859657 /nfs/dbraw/zinc/85/96/57/771859657.db2.gz IKERYDXOXKKCSF-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC)C2)C1 ZINC001185090045 771859662 /nfs/dbraw/zinc/85/96/62/771859662.db2.gz IKERYDXOXKKCSF-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNCc1nccn1C ZINC001185072400 771862979 /nfs/dbraw/zinc/86/29/79/771862979.db2.gz GTSHMZSSRORALX-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)N2CCCCC2)C1 ZINC001185249239 771888492 /nfs/dbraw/zinc/88/84/92/771888492.db2.gz SDYXCOWOYJVZPA-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CCCCC2)C1 ZINC001185385942 771910193 /nfs/dbraw/zinc/91/01/93/771910193.db2.gz XLMQIQNCFOSABA-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)n1 ZINC001159915509 771976263 /nfs/dbraw/zinc/97/62/63/771976263.db2.gz KEAXWIPLEAXFPB-OAHLLOKOSA-N 1 3 323.441 0.747 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915316 771976572 /nfs/dbraw/zinc/97/65/72/771976572.db2.gz JNQFZIGPKTXCPH-HNNXBMFYSA-N 1 3 307.442 0.665 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915037 771976831 /nfs/dbraw/zinc/97/68/31/771976831.db2.gz GTDIDHUSCDVYRC-OAHLLOKOSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1cnccn1 ZINC001159923450 771977546 /nfs/dbraw/zinc/97/75/46/771977546.db2.gz GPOWXCVDGWJIBH-DOMZBBRYSA-N 1 3 305.426 0.974 20 0 DCADHO CN(CC(=O)NCCC1=CC[N@H+](CCCO)CC1)C1CCC1 ZINC001160360084 772028784 /nfs/dbraw/zinc/02/87/84/772028784.db2.gz ILUNHHDIWLATOF-UHFFFAOYSA-N 1 3 309.454 0.992 20 0 DCADHO CN(CC(=O)NCCC1=CC[N@@H+](CCCO)CC1)C1CCC1 ZINC001160360084 772028791 /nfs/dbraw/zinc/02/87/91/772028791.db2.gz ILUNHHDIWLATOF-UHFFFAOYSA-N 1 3 309.454 0.992 20 0 DCADHO CC(=O)N1CCCC[C@]12CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160423153 772036189 /nfs/dbraw/zinc/03/61/89/772036189.db2.gz KQJSVAIWJPSBNO-GOEBONIOSA-N 1 3 310.442 0.446 20 0 DCADHO O=C(N1CCC(c2ccccn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160530712 772059436 /nfs/dbraw/zinc/05/94/36/772059436.db2.gz NPKXDYCRSCHQNA-CRAIPNDOSA-N 1 3 314.433 0.987 20 0 DCADHO N[C@@H](C(=O)N1CCC[C@@H]1Cc1ccccn1)C1CC[NH2+]CC1 ZINC001160545852 772062555 /nfs/dbraw/zinc/06/25/55/772062555.db2.gz VJPJFOXHGQCJAP-HZPDHXFCSA-N 1 3 302.422 0.942 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCc2nn(C)cc2C1 ZINC001160558573 772065425 /nfs/dbraw/zinc/06/54/25/772065425.db2.gz OZFTYGWHCKOKHM-AWEZNQCLSA-N 1 3 307.442 0.800 20 0 DCADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001160638041 772082317 /nfs/dbraw/zinc/08/23/17/772082317.db2.gz XVUOUXDLUQJENI-BBRMVZONSA-N 1 3 313.442 0.847 20 0 DCADHO CCc1noc([C@@H]2CCCN(C(=O)[C@@H](N)CCCC[NH3+])C2)n1 ZINC001160743305 772105174 /nfs/dbraw/zinc/10/51/74/772105174.db2.gz VTCOUGDEUSURDM-NEPJUHHUSA-N 1 3 309.414 0.794 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160787545 772111560 /nfs/dbraw/zinc/11/15/60/772111560.db2.gz KXEJDVXXYLHCIN-MNOVXSKESA-N 1 3 305.419 0.125 20 0 DCADHO CCOC(=O)[C@]12CN(C(=O)CN(CC)CC)C[C@H]1C[NH2+]CC2 ZINC001160810786 772114039 /nfs/dbraw/zinc/11/40/39/772114039.db2.gz FZAADVAYUBASNN-CZUORRHYSA-N 1 3 311.426 0.329 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN2CCc3ccccc3[C@H]2C1 ZINC001160847993 772122396 /nfs/dbraw/zinc/12/23/96/772122396.db2.gz BNQJKQCOWFMRLF-JKSUJKDBSA-N 1 3 302.422 0.494 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCN2CCc3ccccc3[C@H]2C1 ZINC001160847992 772122499 /nfs/dbraw/zinc/12/24/99/772122499.db2.gz BNQJKQCOWFMRLF-HZPDHXFCSA-N 1 3 302.422 0.494 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001160882963 772132230 /nfs/dbraw/zinc/13/22/30/772132230.db2.gz CLEBHRRTOCTOCG-OAHLLOKOSA-N 1 3 320.437 0.722 20 0 DCADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C[C@@H]21 ZINC001160883819 772132362 /nfs/dbraw/zinc/13/23/62/772132362.db2.gz NCKMLRRRVHAMOQ-RFQIPJPRSA-N 1 3 311.426 0.313 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001187232530 772149765 /nfs/dbraw/zinc/14/97/65/772149765.db2.gz ZDQOJKCYSYMWCP-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)N(C)C ZINC001187230725 772149803 /nfs/dbraw/zinc/14/98/03/772149803.db2.gz AODPKLCGMZWJIP-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)N(C)C ZINC001187230724 772149924 /nfs/dbraw/zinc/14/99/24/772149924.db2.gz AODPKLCGMZWJIP-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001187239621 772151499 /nfs/dbraw/zinc/15/14/99/772151499.db2.gz BBYKKRRSAMACTG-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO O=C([C@H]1CCC2(CNC2)O1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205193 772183656 /nfs/dbraw/zinc/18/36/56/772183656.db2.gz JWAJSNVLQBIGJB-OAHLLOKOSA-N 1 3 307.438 0.746 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N(CC)CC ZINC001161251690 772191316 /nfs/dbraw/zinc/19/13/16/772191316.db2.gz VEKNIKFSCIGLIT-UHFFFAOYSA-N 1 3 314.474 0.681 20 0 DCADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC1 ZINC001161305936 772199785 /nfs/dbraw/zinc/19/97/85/772199785.db2.gz CYNJGNWEYVFSRN-AWEZNQCLSA-N 1 3 314.393 0.332 20 0 DCADHO N[C@@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC001161411829 772218535 /nfs/dbraw/zinc/21/85/35/772218535.db2.gz BESDHCVFUIYIIL-KBUPBQIOSA-N 1 3 323.437 0.443 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001161470180 772228666 /nfs/dbraw/zinc/22/86/66/772228666.db2.gz CFBZNCKSDFYLIO-STQMWFEESA-N 1 3 318.412 0.775 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)c2csc([C@@H]3CCCN3)n2)CC12COC2 ZINC001161509832 772236885 /nfs/dbraw/zinc/23/68/85/772236885.db2.gz LJNTVFPDQADAPH-GXSJLCMTSA-N 1 3 308.407 0.367 20 0 DCADHO c1ncc([C@@H]2CN3CCC2CC3)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163196703 772480854 /nfs/dbraw/zinc/48/08/54/772480854.db2.gz GNGXFIIHPLQHCA-CKEIUWERSA-N 1 3 315.421 0.829 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccccc1-n1ccnc1 ZINC001190106331 772583980 /nfs/dbraw/zinc/58/39/80/772583980.db2.gz FPTFBABLILLYRA-UHFFFAOYSA-N 1 3 300.366 0.947 20 0 DCADHO COc1ccc(CNCCCNC(=O)CCC[NH+](C)C)nn1 ZINC001165367543 772729291 /nfs/dbraw/zinc/72/92/91/772729291.db2.gz ZHXBUJGGTBZNLT-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CN(CC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC001165492647 772742957 /nfs/dbraw/zinc/74/29/57/772742957.db2.gz XRFFPUWYACJXNK-CQSZACIVSA-N 1 3 322.453 0.235 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)C1CC[NH+](C)CC1 ZINC001165775920 772761847 /nfs/dbraw/zinc/76/18/47/772761847.db2.gz BXHWLGKRBDNXFD-UHFFFAOYSA-N 1 3 305.426 0.723 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001166010176 772778514 /nfs/dbraw/zinc/77/85/14/772778514.db2.gz JPJBYCKIXRMUQS-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001166010917 772778786 /nfs/dbraw/zinc/77/87/86/772778786.db2.gz VMMFBYOFTWVNLE-UKRRQHHQSA-N 1 3 322.457 0.448 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)CN2CCC[C@H]2C)C1=O ZINC001166626089 772830453 /nfs/dbraw/zinc/83/04/53/772830453.db2.gz ALCNZHXGCBJKTH-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nnsc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627112 772831477 /nfs/dbraw/zinc/83/14/77/772831477.db2.gz QDCMBNDYZRZMHQ-NSHDSACASA-N 1 3 311.455 0.927 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203514434 772910884 /nfs/dbraw/zinc/91/08/84/772910884.db2.gz KZDFDQJSSNNYFG-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCn2cccn2)CC1 ZINC001204797833 772962776 /nfs/dbraw/zinc/96/27/76/772962776.db2.gz CIAMSRCFOYXLGX-MRXNPFEDSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC(=O)N(C)C)CC2)C1 ZINC001206274316 773061593 /nfs/dbraw/zinc/06/15/93/773061593.db2.gz IBQVQDYLJZGFHP-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N1CCN(CCC[NH2+][C@H](CO)[C@H]2CCCOC2)CC1 ZINC001195137336 773333585 /nfs/dbraw/zinc/33/35/85/773333585.db2.gz SEYJDUAKTXMCKC-DLBZAZTESA-N 1 3 313.486 0.780 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208015167 773374704 /nfs/dbraw/zinc/37/47/04/773374704.db2.gz ZWGXGJUFDFCJBQ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208015167 773374711 /nfs/dbraw/zinc/37/47/11/773374711.db2.gz ZWGXGJUFDFCJBQ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063481 773392172 /nfs/dbraw/zinc/39/21/72/773392172.db2.gz OEJCZIZZMDWDRO-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208334980 773435765 /nfs/dbraw/zinc/43/57/65/773435765.db2.gz PIZFJNOJHFRINN-UKRRQHHQSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208334981 773436130 /nfs/dbraw/zinc/43/61/30/773436130.db2.gz PIZFJNOJHFRINN-ZFWWWQNUSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340176 773437828 /nfs/dbraw/zinc/43/78/28/773437828.db2.gz KBOBXKIQIJSKEY-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208341046 773437895 /nfs/dbraw/zinc/43/78/95/773437895.db2.gz UODLNYWJEZXXKZ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208358419 773442593 /nfs/dbraw/zinc/44/25/93/773442593.db2.gz KHOUTWXZMUYZDE-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208358419 773442595 /nfs/dbraw/zinc/44/25/95/773442595.db2.gz KHOUTWXZMUYZDE-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)CNCCNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001152236522 773462173 /nfs/dbraw/zinc/46/21/73/773462173.db2.gz AKSXEKHZCKRTDO-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491210 773476440 /nfs/dbraw/zinc/47/64/40/773476440.db2.gz BZAKWGSQKLGSAG-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491147 773476495 /nfs/dbraw/zinc/47/64/95/773476495.db2.gz ATDYSICSUCVKAT-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919414 773539641 /nfs/dbraw/zinc/53/96/41/773539641.db2.gz RGUVDVWCYAWOSL-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209277745 773581560 /nfs/dbraw/zinc/58/15/60/773581560.db2.gz KRTAUVJSWPMCMK-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304546 773588240 /nfs/dbraw/zinc/58/82/40/773588240.db2.gz QVJUHSNODUZQJI-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001209325304 773592332 /nfs/dbraw/zinc/59/23/32/773592332.db2.gz YJLUTQXJPLKAIF-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001209483771 773609155 /nfs/dbraw/zinc/60/91/55/773609155.db2.gz BNLHWDSEVUGCMF-SOUVJXGZSA-N 1 3 315.458 0.161 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001209633455 773627307 /nfs/dbraw/zinc/62/73/07/773627307.db2.gz VJCNDSGQSGATJR-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643353 773629645 /nfs/dbraw/zinc/62/96/45/773629645.db2.gz RYJJNUJZLJHHSY-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1noc([C@]23COC[C@H]2CN(Cc2c[nH+]ccc2N)C3)n1 ZINC001209727640 773639646 /nfs/dbraw/zinc/63/96/46/773639646.db2.gz XJHTZWCPQHLEKS-IUODEOHRSA-N 1 3 301.350 0.586 20 0 DCADHO NC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126229 773773438 /nfs/dbraw/zinc/77/34/38/773773438.db2.gz PEPDMVVYWGAHCH-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001211268622 773787624 /nfs/dbraw/zinc/78/76/24/773787624.db2.gz KJMTWASQPCQXCL-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCOC(=O)[C@@H]1CNCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001211362860 773795454 /nfs/dbraw/zinc/79/54/54/773795454.db2.gz UZPRGCWLFHMHAF-ZDUSSCGKSA-N 1 3 309.435 0.731 20 0 DCADHO C[C@@H](O)CCCN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833234 773804737 /nfs/dbraw/zinc/80/47/37/773804737.db2.gz VHZHTHSBQUAMQA-OAHLLOKOSA-N 1 3 315.458 0.260 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203902620 773909141 /nfs/dbraw/zinc/90/91/41/773909141.db2.gz HBQMNNHSAUIVJD-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)C1 ZINC001198655082 773958152 /nfs/dbraw/zinc/95/81/52/773958152.db2.gz ZQWLTUGDUDMKAJ-MGPQQGTHSA-N 1 3 301.406 0.239 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)C1 ZINC001198655082 773958157 /nfs/dbraw/zinc/95/81/57/773958157.db2.gz ZQWLTUGDUDMKAJ-MGPQQGTHSA-N 1 3 301.406 0.239 20 0 DCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)N(C)C ZINC001214861569 774019819 /nfs/dbraw/zinc/01/98/19/774019819.db2.gz XSGZTJJJLYLXHI-VNHYZAJKSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036197 774035436 /nfs/dbraw/zinc/03/54/36/774035436.db2.gz RAJQTPPQVKMZOD-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001215036197 774035441 /nfs/dbraw/zinc/03/54/41/774035441.db2.gz RAJQTPPQVKMZOD-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838952 774141614 /nfs/dbraw/zinc/14/16/14/774141614.db2.gz JXERKDQKERCGRC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001216851987 774143555 /nfs/dbraw/zinc/14/35/55/774143555.db2.gz MTDFABHWCFKTLQ-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788472 774199420 /nfs/dbraw/zinc/19/94/20/774199420.db2.gz QZLHZOCWAINSBJ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001199788618 774199507 /nfs/dbraw/zinc/19/95/07/774199507.db2.gz UHMIWSNYTZCABY-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1noc2nc(O[C@H]3C[NH2+]CCOC3)c3c(c12)CCNC3 ZINC001218043204 774210185 /nfs/dbraw/zinc/21/01/85/774210185.db2.gz XGKTUWRZASXTSG-JTQLQIEISA-N 1 3 304.350 0.544 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC001218113022 774212878 /nfs/dbraw/zinc/21/28/78/774212878.db2.gz YHWFGFSKYIXHTB-GUIRCDHDSA-N 1 3 319.405 0.479 20 0 DCADHO c1cc(O[C@H]2CC[C@@H]3NCCO[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001218150195 774213846 /nfs/dbraw/zinc/21/38/46/774213846.db2.gz AXDIXDMUVSWURE-YESZJQIVSA-N 1 3 303.406 0.994 20 0 DCADHO C[C@H](Oc1cc(C[C@H](N)C(=O)N(C)C)ccc1O)C1C[NH2+]C1 ZINC001218198644 774215475 /nfs/dbraw/zinc/21/54/75/774215475.db2.gz OKXVWNHCFOXKDX-GWCFXTLKSA-N 1 3 307.394 0.337 20 0 DCADHO Cc1noc2nc(OCCO[C@H]3CC[NH2+]C3)c3c(c12)CCNC3 ZINC001218383947 774223407 /nfs/dbraw/zinc/22/34/07/774223407.db2.gz PSDJRZGGVNVZTI-NSHDSACASA-N 1 3 318.377 0.934 20 0 DCADHO FC1(F)CC[NH2+]C[C@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001218455590 774226688 /nfs/dbraw/zinc/22/66/88/774226688.db2.gz WVLWTJWCNQORHN-LLVKDONJSA-N 1 3 309.320 0.751 20 0 DCADHO O=C(Nc1n[nH]cc1Br)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218506692 774231311 /nfs/dbraw/zinc/23/13/11/774231311.db2.gz CANMVESTZCYFPA-RDDDGLTNSA-N 1 3 314.187 0.310 20 0 DCADHO CN[C@@H](CCCC[NH3+])C(=O)Nc1nnc(Br)s1 ZINC001218511551 774232092 /nfs/dbraw/zinc/23/20/92/774232092.db2.gz RECNNQMMCLFMEC-LURJTMIESA-N 1 3 322.232 0.956 20 0 DCADHO C[C@@H]1CCc2sc(NC(=O)[C@@H]3C[C@H](N)C[NH2+]3)c(C(N)=O)c2C1 ZINC001218706949 774284747 /nfs/dbraw/zinc/28/47/47/774284747.db2.gz DFZSBGVSAFKEAF-WEDXCCLWSA-N 1 3 322.434 0.600 20 0 DCADHO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218711645 774285487 /nfs/dbraw/zinc/28/54/87/774285487.db2.gz LUYXCMLRZWFONW-CKYFFXLPSA-N 1 3 308.338 0.189 20 0 DCADHO O=C(Nc1ccc2[nH]nc(Cl)c2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218824957 774311117 /nfs/dbraw/zinc/31/11/17/774311117.db2.gz RFPNMPJQEPNUGG-SNVBAGLBSA-N 1 3 305.769 0.964 20 0 DCADHO O=C(Nc1ccc(C2OCCO2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218910890 774324585 /nfs/dbraw/zinc/32/45/85/774324585.db2.gz SDMQVEBTESIQCL-CYBMUJFWSA-N 1 3 303.362 0.480 20 0 DCADHO Cc1noc(-c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2)n1 ZINC001218955939 774336001 /nfs/dbraw/zinc/33/60/01/774336001.db2.gz RMCCQVOFNIQGFE-ZDUSSCGKSA-N 1 3 313.361 0.793 20 0 DCADHO COC(=O)c1ccc(NC(=O)[C@H](N)CCC[NH3+])c(C(C)=O)c1 ZINC001218981955 774340506 /nfs/dbraw/zinc/34/05/06/774340506.db2.gz JLVKJABHGKOGMB-GFCCVEGCSA-N 1 3 307.350 0.681 20 0 DCADHO COc1ccc(CO)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001219074592 774358439 /nfs/dbraw/zinc/35/84/39/774358439.db2.gz PACUWZRJZWCUJB-MLGOLLRUSA-N 1 3 305.378 0.325 20 0 DCADHO CO[C@H]1CCN[C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119326 774378483 /nfs/dbraw/zinc/37/84/83/774378483.db2.gz XERVUXRVUOTUTG-HOTGVXAUSA-N 1 3 318.421 0.802 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]CCOC)C1 ZINC001200849845 774416050 /nfs/dbraw/zinc/41/60/50/774416050.db2.gz BYJXLPHXOXOKHP-CQSZACIVSA-N 1 3 315.458 0.570 20 0 DCADHO COc1cc2nc[nH]c(=O)c2cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219264176 774428469 /nfs/dbraw/zinc/42/84/69/774428469.db2.gz TWMGLOLAJGLTOK-JTQLQIEISA-N 1 3 319.365 0.739 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052400 774445528 /nfs/dbraw/zinc/44/55/28/774445528.db2.gz DZKVSUBCKNJLJT-INIZCTEOSA-N 1 3 324.469 0.432 20 0 DCADHO O=C(Nc1cccc2c1NC(=O)NC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219334866 774452849 /nfs/dbraw/zinc/45/28/49/774452849.db2.gz PHTHSRAONXSHTL-BDJLRTHQSA-N 1 3 315.377 0.459 20 0 DCADHO CN1Cc2cccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)c2C1=O ZINC001219364863 774465029 /nfs/dbraw/zinc/46/50/29/774465029.db2.gz PYLKCZRZLZTHHE-CQSZACIVSA-N 1 3 302.378 0.538 20 0 DCADHO CN1CCc2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ccc2C1=O ZINC001219369984 774467734 /nfs/dbraw/zinc/46/77/34/774467734.db2.gz YFBVRDPSJIIYQE-AWEZNQCLSA-N 1 3 314.389 0.062 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001201238900 774469067 /nfs/dbraw/zinc/46/90/67/774469067.db2.gz DTKLHAIUMFSXCI-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219417418 774483477 /nfs/dbraw/zinc/48/34/77/774483477.db2.gz QJMVAFFZYQZQJE-NSHDSACASA-N 1 3 313.361 0.014 20 0 DCADHO NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219417417 774483488 /nfs/dbraw/zinc/48/34/88/774483488.db2.gz QJMVAFFZYQZQJE-LLVKDONJSA-N 1 3 313.361 0.014 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCCO1 ZINC001201402081 774500793 /nfs/dbraw/zinc/50/07/93/774500793.db2.gz ANIUYUTYQKHWOJ-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO C[C@@H](F)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483726 774520722 /nfs/dbraw/zinc/52/07/22/774520722.db2.gz OIJZSHFTILSENO-TZMCWYRMSA-N 1 3 312.389 0.907 20 0 DCADHO COc1ccc(C(=O)CNC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001219560432 774537171 /nfs/dbraw/zinc/53/71/71/774537171.db2.gz VNUKCNAVKCBEMK-OAHLLOKOSA-N 1 3 305.378 0.321 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCCO[C@H](CNCCF)C1 ZINC001201909531 774577379 /nfs/dbraw/zinc/57/73/79/774577379.db2.gz XYFXSQOANBCREJ-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)c1[nH]nc2c1CCNC2 ZINC001219709327 774587682 /nfs/dbraw/zinc/58/76/82/774587682.db2.gz AUWDQFROHJNPQX-UHFFFAOYSA-N 1 3 311.389 0.631 20 0 DCADHO O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)c1[nH]nc2c1CCNC2 ZINC001219746050 774596803 /nfs/dbraw/zinc/59/68/03/774596803.db2.gz DYPMKAZGAAPJEL-NSHDSACASA-N 1 3 319.409 0.086 20 0 DCADHO O=C(C[C@@H]1CCNC[C@H]1F)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744171 774597221 /nfs/dbraw/zinc/59/72/21/774597221.db2.gz UIWDLDONDVMCQB-BFHYXJOUSA-N 1 3 313.417 0.742 20 0 DCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CN)CC21CC[NH2+]CC1 ZINC001219754822 774599337 /nfs/dbraw/zinc/59/93/37/774599337.db2.gz ZPHLROBJWRVDBM-GJZGRUSLSA-N 1 3 302.422 0.463 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818339 774619627 /nfs/dbraw/zinc/61/96/27/774619627.db2.gz CUTKHWVOLMCUJO-VTPLQMEGSA-N 1 3 304.394 0.058 20 0 DCADHO O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847393 774626017 /nfs/dbraw/zinc/62/60/17/774626017.db2.gz FYBMNOHMPMLFBN-WAXYHTEFSA-N 1 3 323.437 0.171 20 0 DCADHO CCCCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919838 774645223 /nfs/dbraw/zinc/64/52/23/774645223.db2.gz PXCVSOKCTCLDJU-CVEARBPZSA-N 1 3 320.437 0.869 20 0 DCADHO CN1CCNC[C@H]1C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930806 774649297 /nfs/dbraw/zinc/64/92/97/774649297.db2.gz IDWVAVZGQWBROM-HNNXBMFYSA-N 1 3 317.437 0.068 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCCOc1ccccc1F ZINC001219936629 774651991 /nfs/dbraw/zinc/65/19/91/774651991.db2.gz MXEULAWKGBWHOE-NSHDSACASA-N 1 3 301.387 0.340 20 0 DCADHO C[NH2+]CCNC(=O)[C@@H](N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001220055977 774682988 /nfs/dbraw/zinc/68/29/88/774682988.db2.gz KSBQADAXMOFCRN-ZDUSSCGKSA-N 1 3 307.394 0.537 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001220236920 774741914 /nfs/dbraw/zinc/74/19/14/774741914.db2.gz KEWZFAGHIAXIHN-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO Cc1cccnc1[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001220256842 774748021 /nfs/dbraw/zinc/74/80/21/774748021.db2.gz GTCZBIJCXSMERB-ZFWWWQNUSA-N 1 3 300.406 0.766 20 0 DCADHO Cn1cc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)c2ccccc21 ZINC001220323685 774771795 /nfs/dbraw/zinc/77/17/95/774771795.db2.gz KEZIIKAGQLYGQC-OAHLLOKOSA-N 1 3 312.417 0.646 20 0 DCADHO O=C(NC[C@H](CO)Cc1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220405529 774798071 /nfs/dbraw/zinc/79/80/71/774798071.db2.gz ANBDSBLIKOGDHC-JFIYKMOQSA-N 1 3 317.433 0.153 20 0 DCADHO O=C(CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)Cc1ccccc1 ZINC001220462789 774818383 /nfs/dbraw/zinc/81/83/83/774818383.db2.gz ORHNUNHAVODNEJ-INIZCTEOSA-N 1 3 315.417 0.789 20 0 DCADHO O=C(CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)Cc1ccccc1 ZINC001220462789 774818393 /nfs/dbraw/zinc/81/83/93/774818393.db2.gz ORHNUNHAVODNEJ-INIZCTEOSA-N 1 3 315.417 0.789 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH3+])CCNC1 ZINC001220522665 774836603 /nfs/dbraw/zinc/83/66/03/774836603.db2.gz CNZCHLQDSHWYLO-XXSPCDMZSA-N 1 3 307.394 0.287 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406713 774842927 /nfs/dbraw/zinc/84/29/27/774842927.db2.gz JRDMMKKBLFUJDO-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406713 774842935 /nfs/dbraw/zinc/84/29/35/774842935.db2.gz JRDMMKKBLFUJDO-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO N[C@H](C(=O)N[C@H]1CCc2ccc(O)cc2C1)C1CC[NH2+]CC1 ZINC001220591914 774856910 /nfs/dbraw/zinc/85/69/10/774856910.db2.gz BQEAUWPGHLVQJB-HOCLYGCPSA-N 1 3 303.406 0.693 20 0 DCADHO COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220628187 774870007 /nfs/dbraw/zinc/87/00/07/774870007.db2.gz URPHOYTWKGSNAB-YOEHRIQHSA-N 1 3 321.421 0.733 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680626 774887310 /nfs/dbraw/zinc/88/73/10/774887310.db2.gz KTRWEQGYUOVAOG-DGAVXFQQSA-N 1 3 310.442 0.265 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H](c1ccccc1)C1(O)CCC1 ZINC001220728105 774903175 /nfs/dbraw/zinc/90/31/75/774903175.db2.gz XZRHEUBTZNKEIX-UONOGXRCSA-N 1 3 323.462 0.778 20 0 DCADHO CSCC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C(N)=O ZINC001220840555 774932633 /nfs/dbraw/zinc/93/26/33/774932633.db2.gz PQLDLUOAMBDRSR-RYUDHWBXSA-N 1 3 318.487 0.205 20 0 DCADHO N[C@@H](C(=O)NCc1ccc(C2OCCO2)cc1)C1CC[NH2+]CC1 ZINC001220838678 774932427 /nfs/dbraw/zinc/93/24/27/774932427.db2.gz ZPZJINVTKMVULJ-OAHLLOKOSA-N 1 3 319.405 0.675 20 0 DCADHO N[C@H]1CCCCN(CC(=O)NCc2ccccc2C[NH3+])C1=O ZINC001220855200 774937011 /nfs/dbraw/zinc/93/70/11/774937011.db2.gz PTYJVLRJVMCFML-AWEZNQCLSA-N 1 3 304.394 0.101 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859509 774937986 /nfs/dbraw/zinc/93/79/86/774937986.db2.gz AOEZSJIBDMANTP-SRVKXCTJSA-N 1 3 300.447 0.354 20 0 DCADHO COc1ccccc1CN1CC[C@H](NC(=O)CNCCC[NH3+])C1 ZINC001220927950 774953991 /nfs/dbraw/zinc/95/39/91/774953991.db2.gz BBBYIWQRIDOTEO-HNNXBMFYSA-N 1 3 320.437 0.324 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939222 774958567 /nfs/dbraw/zinc/95/85/67/774958567.db2.gz JAUHQANNCBEPIW-ZDUSSCGKSA-N 1 3 310.373 0.014 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NC1(Cc2ccccn2)CCOCC1 ZINC001220946600 774958756 /nfs/dbraw/zinc/95/87/56/774958756.db2.gz ARANUBZEAKLQBY-HNNXBMFYSA-N 1 3 320.437 0.746 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951319 774960806 /nfs/dbraw/zinc/96/08/06/774960806.db2.gz XKGFXROICHKXMO-AWEZNQCLSA-N 1 3 315.377 0.266 20 0 DCADHO CC(C)Oc1nccc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)n1 ZINC001220988084 774971716 /nfs/dbraw/zinc/97/17/16/774971716.db2.gz GXBAAEXXGAXWAA-AWEZNQCLSA-N 1 3 323.441 0.939 20 0 DCADHO O=C(NC1(c2cnccn2)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221082106 774991554 /nfs/dbraw/zinc/99/15/54/774991554.db2.gz HSAAYLYIKAFTJA-GFCCVEGCSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NC1(c2cnccn2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221082106 774991557 /nfs/dbraw/zinc/99/15/57/774991557.db2.gz HSAAYLYIKAFTJA-GFCCVEGCSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CNC[C@H](F)C1 ZINC001221114235 774999061 /nfs/dbraw/zinc/99/90/61/774999061.db2.gz RSBSWGMTDUSRCS-ZIAGYGMSSA-N 1 3 320.412 0.767 20 0 DCADHO COc1ccccc1CC(C)(C)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221168347 775014833 /nfs/dbraw/zinc/01/48/33/775014833.db2.gz IPEMUKTWUBXIEW-CQSZACIVSA-N 1 3 317.433 0.942 20 0 DCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H](N)c1cccc(OC)c1 ZINC001221190656 775021616 /nfs/dbraw/zinc/02/16/16/775021616.db2.gz XEQFPUSXBLVORQ-KGLIPLIRSA-N 1 3 323.393 0.482 20 0 DCADHO CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221306708 775062400 /nfs/dbraw/zinc/06/24/00/775062400.db2.gz XDQOBLWEHMDKOR-GFCCVEGCSA-N 1 3 313.442 0.797 20 0 DCADHO CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221306502 775062997 /nfs/dbraw/zinc/06/29/97/775062997.db2.gz RYJPMAAORXUIGF-NSHDSACASA-N 1 3 311.426 0.280 20 0 DCADHO COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@@H](N)CCC[NH3+])C2 ZINC001221320676 775067143 /nfs/dbraw/zinc/06/71/43/775067143.db2.gz DYVGPQNOIZNOKR-RISCZKNCSA-N 1 3 307.394 0.429 20 0 DCADHO O=C(N[C@H]1CCc2c1cccc2O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221395335 775085950 /nfs/dbraw/zinc/08/59/50/775085950.db2.gz SRJCSJMNEJSPGN-HYSWKAIVSA-N 1 3 301.390 0.695 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001221400138 775087247 /nfs/dbraw/zinc/08/72/47/775087247.db2.gz ZLLOVBULSIXYEJ-TWMKSMIVSA-N 1 3 315.417 0.442 20 0 DCADHO C(C[NH2+]C1CCCCC1)CN1CCOC[C@@]2(CNCCO2)C1 ZINC001222186719 775294467 /nfs/dbraw/zinc/29/44/67/775294467.db2.gz PODNDGDAOUKMDF-QGZVFWFLSA-N 1 3 311.470 0.990 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC ZINC001226615290 775847682 /nfs/dbraw/zinc/84/76/82/775847682.db2.gz UVXLIQRZGWPXKT-KFWWJZLASA-N 1 3 324.469 0.624 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C[C@@H](O)c3ccccc3)C[C@H]21 ZINC001114777974 776115157 /nfs/dbraw/zinc/11/51/57/776115157.db2.gz CDLDFYTXGAIUMQ-HPFXQQBRSA-N 1 3 317.433 0.718 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114831792 776198404 /nfs/dbraw/zinc/19/84/04/776198404.db2.gz FVBQEHCNZVFJRW-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114831792 776198407 /nfs/dbraw/zinc/19/84/07/776198407.db2.gz FVBQEHCNZVFJRW-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712809 777442815 /nfs/dbraw/zinc/44/28/15/777442815.db2.gz XBARMJFEMIUGJP-CJNGLKHVSA-N 1 3 306.410 0.912 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712809 777442821 /nfs/dbraw/zinc/44/28/21/777442821.db2.gz XBARMJFEMIUGJP-CJNGLKHVSA-N 1 3 306.410 0.912 20 0 DCADHO CN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001317573284 945066125 /nfs/dbraw/zinc/06/61/25/945066125.db2.gz NVBPWAPFEKUWFE-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CC(C)(C)CO)CC2 ZINC001277963531 945068862 /nfs/dbraw/zinc/06/88/62/945068862.db2.gz MUJYAMAODSGLHF-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317627055 945125429 /nfs/dbraw/zinc/12/54/29/945125429.db2.gz RNSMLYDUSGLQRU-ZDUSSCGKSA-N 1 3 307.442 0.618 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317627055 945125432 /nfs/dbraw/zinc/12/54/32/945125432.db2.gz RNSMLYDUSGLQRU-ZDUSSCGKSA-N 1 3 307.442 0.618 20 0 DCADHO CN(C)C(=O)[C@@H]1COCCC12C[NH+](C[C@H]1CCCN(C)C1)C2 ZINC001278149090 945155915 /nfs/dbraw/zinc/15/59/15/945155915.db2.gz WFRQYCWXAGOMBJ-GJZGRUSLSA-N 1 3 309.454 0.755 20 0 DCADHO CCN1CC2(C1)CCOC[C@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001278161012 945160607 /nfs/dbraw/zinc/16/06/07/945160607.db2.gz SWZYRPFMSUZCOA-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO C[NH+](C)CCN1C(=O)COCC12CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001273049632 945217432 /nfs/dbraw/zinc/21/74/32/945217432.db2.gz DCYYUGYIZGIBRB-XHSDSOJGSA-N 1 3 319.449 0.673 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCn3cccn3)C2)C1 ZINC001267057994 939326635 /nfs/dbraw/zinc/32/66/35/939326635.db2.gz NHWFWVUSQOQENU-HOTGVXAUSA-N 1 3 319.453 0.663 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001267069422 939330736 /nfs/dbraw/zinc/33/07/36/939330736.db2.gz WBKZJEDJBCLIIG-HNNXBMFYSA-N 1 3 305.426 0.417 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)CN(C)C(C)C)n1 ZINC001267474404 939470525 /nfs/dbraw/zinc/47/05/25/939470525.db2.gz REPCKJGVJKSEEY-UHFFFAOYSA-N 1 3 309.458 0.888 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001481306539 939736586 /nfs/dbraw/zinc/73/65/86/939736586.db2.gz VOVWPOQNEFNWRV-DZGCQCFKSA-N 1 3 322.457 0.400 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3ccncn3)C2)C1=O ZINC001273115459 945271858 /nfs/dbraw/zinc/27/18/58/945271858.db2.gz PAIKBBPIQYUJQZ-INIZCTEOSA-N 1 3 303.410 0.463 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001481459429 939807031 /nfs/dbraw/zinc/80/70/31/939807031.db2.gz ZOUGPKLGYIOCSN-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001481459429 939807035 /nfs/dbraw/zinc/80/70/35/939807035.db2.gz ZOUGPKLGYIOCSN-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001481468676 939884607 /nfs/dbraw/zinc/88/46/07/939884607.db2.gz JUNWVRSBQIKTBQ-MRXNPFEDSA-N 1 3 308.470 0.424 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001481516993 939912351 /nfs/dbraw/zinc/91/23/51/939912351.db2.gz ACKSOYSURZIUCA-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001496443855 939971754 /nfs/dbraw/zinc/97/17/54/939971754.db2.gz IWTSRGUKXNBLHP-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCn1ccc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001268422352 940116716 /nfs/dbraw/zinc/11/67/16/940116716.db2.gz ALVQGDSGHGOGQI-UONOGXRCSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001268422352 940116718 /nfs/dbraw/zinc/11/67/18/940116718.db2.gz ALVQGDSGHGOGQI-UONOGXRCSA-N 1 3 307.442 0.839 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNCC(=O)N1CCC1 ZINC001268457482 940141375 /nfs/dbraw/zinc/14/13/75/940141375.db2.gz ZPCZCMDZLPCAFX-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCC(=O)N1CCC1 ZINC001268457482 940141377 /nfs/dbraw/zinc/14/13/77/940141377.db2.gz ZPCZCMDZLPCAFX-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CCN2CCCC2=O)CCC1 ZINC001268549215 940229645 /nfs/dbraw/zinc/22/96/45/940229645.db2.gz DHEJMUDYAFNAKA-ONEGZZNKSA-N 1 3 322.453 0.355 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482102079 940256981 /nfs/dbraw/zinc/25/69/81/940256981.db2.gz JBIDUPXVSALAGN-NWANDNLSSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482102079 940256982 /nfs/dbraw/zinc/25/69/82/940256982.db2.gz JBIDUPXVSALAGN-NWANDNLSSA-N 1 3 319.453 0.967 20 0 DCADHO O[C@H](CNC1CN(C2CC[NH2+]CC2)C1)COc1ccccc1 ZINC001245989842 945306977 /nfs/dbraw/zinc/30/69/77/945306977.db2.gz OODRAEICCIFRHW-MRXNPFEDSA-N 1 3 305.422 0.452 20 0 DCADHO COc1nccc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001482169861 940292109 /nfs/dbraw/zinc/29/21/09/940292109.db2.gz WXSCDEPOICKNOY-STQMWFEESA-N 1 3 321.425 0.279 20 0 DCADHO COc1nccc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001482169861 940292112 /nfs/dbraw/zinc/29/21/12/940292112.db2.gz WXSCDEPOICKNOY-STQMWFEESA-N 1 3 321.425 0.279 20 0 DCADHO Nc1ccc2c(c1)CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246062846 945333008 /nfs/dbraw/zinc/33/30/08/945333008.db2.gz KBPFNFYEJPVKER-INIZCTEOSA-N 1 3 305.422 0.492 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)CC[NH+](C)C ZINC001482324444 940983443 /nfs/dbraw/zinc/98/34/43/940983443.db2.gz DEAJWTPMGYEFMF-LBPRGKRZSA-N 1 3 300.447 0.289 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]C[C@H]2CCOC2)C1 ZINC001280297899 940996564 /nfs/dbraw/zinc/99/65/64/940996564.db2.gz YWAOXOXXLKPBPA-HZPDHXFCSA-N 1 3 309.454 0.947 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001409086966 941458522 /nfs/dbraw/zinc/45/85/22/941458522.db2.gz KRTLTFGHVGOARI-XJKSGUPXSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001409086966 941458523 /nfs/dbraw/zinc/45/85/23/941458523.db2.gz KRTLTFGHVGOARI-XJKSGUPXSA-N 1 3 324.469 0.241 20 0 DCADHO Cc1nccnc1CN[C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001482555236 941494044 /nfs/dbraw/zinc/49/40/44/941494044.db2.gz RHCXYAYLZAINMY-CQSZACIVSA-N 1 3 307.442 0.967 20 0 DCADHO CN1CCN(CCCC(=O)N2CCC3(CC[N@H+](C)C3)CC2)CC1 ZINC001272018359 941525784 /nfs/dbraw/zinc/52/57/84/941525784.db2.gz USISYVNNSBGEHQ-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(CCCC(=O)N2CCC3(CC[N@@H+](C)C3)CC2)CC1 ZINC001272018359 941525787 /nfs/dbraw/zinc/52/57/87/941525787.db2.gz USISYVNNSBGEHQ-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001409149300 941553171 /nfs/dbraw/zinc/55/31/71/941553171.db2.gz CAKMNKDQCHHAHH-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001409149300 941553173 /nfs/dbraw/zinc/55/31/73/941553173.db2.gz CAKMNKDQCHHAHH-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001409161834 941558496 /nfs/dbraw/zinc/55/84/96/941558496.db2.gz GKVZEUWLNSVHHQ-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409161834 941558497 /nfs/dbraw/zinc/55/84/97/941558497.db2.gz GKVZEUWLNSVHHQ-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001409174180 941565978 /nfs/dbraw/zinc/56/59/78/941565978.db2.gz LAGCKJQMMFSWHZ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001482740174 941651477 /nfs/dbraw/zinc/65/14/77/941651477.db2.gz QZKHMKCBTCQYRU-CABCVRRESA-N 1 3 315.458 0.066 20 0 DCADHO Cc1nccnc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCN1C ZINC001482861343 941690610 /nfs/dbraw/zinc/69/06/10/941690610.db2.gz VNYDVYFXCXWEOR-SWLSCSKDSA-N 1 3 305.426 0.864 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001482899145 941701458 /nfs/dbraw/zinc/70/14/58/941701458.db2.gz LWUVUEWVZUFXBP-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC001482899145 941701459 /nfs/dbraw/zinc/70/14/59/941701459.db2.gz LWUVUEWVZUFXBP-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)[C@H]1CCCN1C ZINC001482942935 941719824 /nfs/dbraw/zinc/71/98/24/941719824.db2.gz WRDYVYNBTOMMTK-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001482949588 941725974 /nfs/dbraw/zinc/72/59/74/941725974.db2.gz WSBHGSNPWVTPDE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCOCC(F)(F)F ZINC001482990596 941761827 /nfs/dbraw/zinc/76/18/27/941761827.db2.gz DUUILBSORQFQOB-JDGPPOGSSA-N 1 3 323.359 0.922 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483128969 941879440 /nfs/dbraw/zinc/87/94/40/941879440.db2.gz NYLXSFANIXZKOY-WBMJQRKESA-N 1 3 319.453 0.665 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483183992 941927971 /nfs/dbraw/zinc/92/79/71/941927971.db2.gz IDSORKYBXJLRSZ-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905006851 941996011 /nfs/dbraw/zinc/99/60/11/941996011.db2.gz FOMRCVQEKXQJGP-WMLDXEAASA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083593551 942025138 /nfs/dbraw/zinc/02/51/38/942025138.db2.gz RGOXWSMLDRVVEQ-PMPSAXMXSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083593551 942025140 /nfs/dbraw/zinc/02/51/40/942025140.db2.gz RGOXWSMLDRVVEQ-PMPSAXMXSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001483271989 942225620 /nfs/dbraw/zinc/22/56/20/942225620.db2.gz FYHFUUACMVBIOI-GJZGRUSLSA-N 1 3 322.457 0.635 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CCC[NH+]1CCCC1 ZINC001483296613 942248577 /nfs/dbraw/zinc/24/85/77/942248577.db2.gz LXXFHOCNJXTLKP-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066779 942426287 /nfs/dbraw/zinc/42/62/87/942426287.db2.gz SEFOLFRMZZZUAS-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066779 942426290 /nfs/dbraw/zinc/42/62/90/942426290.db2.gz SEFOLFRMZZZUAS-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001127082598 942465894 /nfs/dbraw/zinc/46/58/94/942465894.db2.gz VZXUSBTWOYGZRH-TZMCWYRMSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001127082598 942465899 /nfs/dbraw/zinc/46/58/99/942465899.db2.gz VZXUSBTWOYGZRH-TZMCWYRMSA-N 1 3 310.442 0.232 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCc3ccc(CO)cc3)CC2)C1 ZINC001483790265 942954655 /nfs/dbraw/zinc/95/46/55/942954655.db2.gz DBCKNRYRBVOYIL-INIZCTEOSA-N 1 3 317.433 0.869 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCc3ccc(CO)cc3)CC2)C1 ZINC001483790265 942954660 /nfs/dbraw/zinc/95/46/60/942954660.db2.gz DBCKNRYRBVOYIL-INIZCTEOSA-N 1 3 317.433 0.869 20 0 DCADHO NC(=O)C[N@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001483818213 942964724 /nfs/dbraw/zinc/96/47/24/942964724.db2.gz GSBPYNCYGPPCMA-UHFFFAOYSA-N 1 3 322.453 0.271 20 0 DCADHO NC(=O)C[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001483818213 942964730 /nfs/dbraw/zinc/96/47/30/942964730.db2.gz GSBPYNCYGPPCMA-UHFFFAOYSA-N 1 3 322.453 0.271 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483930637 943032562 /nfs/dbraw/zinc/03/25/62/943032562.db2.gz DEJXXTBRVSWTNQ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483930637 943032568 /nfs/dbraw/zinc/03/25/68/943032568.db2.gz DEJXXTBRVSWTNQ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001483942967 943043090 /nfs/dbraw/zinc/04/30/90/943043090.db2.gz PHMKGGJTMSGQCG-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001484357452 943333835 /nfs/dbraw/zinc/33/38/35/943333835.db2.gz HSQOWCZETOEFNS-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001484660744 943498214 /nfs/dbraw/zinc/49/82/14/943498214.db2.gz OSYWHUQPQNEYCF-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001484660744 943498216 /nfs/dbraw/zinc/49/82/16/943498216.db2.gz OSYWHUQPQNEYCF-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001484663395 943499664 /nfs/dbraw/zinc/49/96/64/943499664.db2.gz SBFYNCXSYWDEMJ-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](F)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484949955 943630673 /nfs/dbraw/zinc/63/06/73/943630673.db2.gz OTBWCZXPJWMXEB-KGLIPLIRSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001485038846 943667145 /nfs/dbraw/zinc/66/71/45/943667145.db2.gz KISCBKDMIXACQZ-MELADBBJSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]([NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001485093326 943693900 /nfs/dbraw/zinc/69/39/00/943693900.db2.gz GGWHXGSLQMJCOC-HSBZDZAISA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CCC1 ZINC001491026179 943713746 /nfs/dbraw/zinc/71/37/46/943713746.db2.gz VTTOSHBZOSBDQM-OKILXGFUSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@]23CCOC3)C1 ZINC001491073755 943739396 /nfs/dbraw/zinc/73/93/96/943739396.db2.gz RLIVPMSRIQXQTN-PNBKFKSVSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+]CC(=O)N(C)C)C(C)C ZINC001485791807 944138380 /nfs/dbraw/zinc/13/83/80/944138380.db2.gz OENBNORSUYGPJU-CYBMUJFWSA-N 1 3 323.441 0.469 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486120426 944578192 /nfs/dbraw/zinc/57/81/92/944578192.db2.gz AUNBJGFXMMPOMS-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001486250943 944671448 /nfs/dbraw/zinc/67/14/48/944671448.db2.gz ZYWKPXVMMQRHOL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486250943 944671451 /nfs/dbraw/zinc/67/14/51/944671451.db2.gz ZYWKPXVMMQRHOL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+]1CCC(CN2C[C@@H]3C(C(=O)N4CC=CC4)=NO[C@@H]3C2)CC1 ZINC001277796598 944981110 /nfs/dbraw/zinc/98/11/10/944981110.db2.gz HZUMHVMPOFWIIM-LSDHHAIUSA-N 1 3 318.421 0.413 20 0 DCADHO O=C1CC[C@H]([NH2+][C@H]2CNC[C@@H]2CO)CCN1Cc1ccccc1 ZINC001246301135 945381487 /nfs/dbraw/zinc/38/14/87/945381487.db2.gz VRIHBKDXKUSJJA-IKGGRYGDSA-N 1 3 317.433 0.738 20 0 DCADHO c1cc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)nc(OCC2CCC2)n1 ZINC001246434092 945409085 /nfs/dbraw/zinc/40/90/85/945409085.db2.gz LVQNMLVOGLDNCP-CQSZACIVSA-N 1 3 317.437 0.839 20 0 DCADHO c1cncc(CN2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246526442 945426640 /nfs/dbraw/zinc/42/66/40/945426640.db2.gz XKUNKSZPGXXFJP-MRXNPFEDSA-N 1 3 301.438 0.293 20 0 DCADHO COc1ccccc1N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246536570 945427399 /nfs/dbraw/zinc/42/73/99/945427399.db2.gz GVEJLUZUMKSJMH-HNNXBMFYSA-N 1 3 316.449 0.911 20 0 DCADHO NC[C@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@H]1O ZINC001246580742 945436351 /nfs/dbraw/zinc/43/63/51/945436351.db2.gz OKIGPIGGPLVMME-HRCADAONSA-N 1 3 303.406 0.429 20 0 DCADHO NC[C@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@H]1O ZINC001246580742 945436352 /nfs/dbraw/zinc/43/63/52/945436352.db2.gz OKIGPIGGPLVMME-HRCADAONSA-N 1 3 303.406 0.429 20 0 DCADHO FC1(F)CCNC[C@@]12CC[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)C2 ZINC001246638964 945450024 /nfs/dbraw/zinc/45/00/24/945450024.db2.gz NJAYJLBSNJHCHY-QNMSZWNNSA-N 1 3 301.381 0.827 20 0 DCADHO FC1(F)CCNC[C@@]12CC[N@H+](C1C[C@@H]3COC[C@H](C1)N3)C2 ZINC001246638964 945450029 /nfs/dbraw/zinc/45/00/29/945450029.db2.gz NJAYJLBSNJHCHY-QNMSZWNNSA-N 1 3 301.381 0.827 20 0 DCADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCN[C@H](C)C2)O1 ZINC001246705185 945464704 /nfs/dbraw/zinc/46/47/04/945464704.db2.gz XORMBSZOJHOTJX-KHMAMNHCSA-N 1 3 311.426 0.121 20 0 DCADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCN[C@H](C)C2)O1 ZINC001246705185 945464708 /nfs/dbraw/zinc/46/47/08/945464708.db2.gz XORMBSZOJHOTJX-KHMAMNHCSA-N 1 3 311.426 0.121 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246703065 945465697 /nfs/dbraw/zinc/46/56/97/945465697.db2.gz HXQWKBBGYNYFSY-MRXNPFEDSA-N 1 3 318.465 0.563 20 0 DCADHO C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1 ZINC001246746088 945480496 /nfs/dbraw/zinc/48/04/96/945480496.db2.gz QZNPGKZJYIERPI-DNMXQMFDSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1 ZINC001246746088 945480505 /nfs/dbraw/zinc/48/05/05/945480505.db2.gz QZNPGKZJYIERPI-DNMXQMFDSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@@H]1C[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CC[NH2+]1 ZINC001246761421 945484009 /nfs/dbraw/zinc/48/40/09/945484009.db2.gz SLPLGXGBNXHRAM-DGCLKSJQSA-N 1 3 317.437 0.982 20 0 DCADHO c1cc(CN([C@@H]2CC[NH2+]C2)C2C[C@@H]3COC[C@H](C2)N3)ccn1 ZINC001246969640 945529188 /nfs/dbraw/zinc/52/91/88/945529188.db2.gz ZNHVVQWJGDZGLH-LVYZTWJOSA-N 1 3 302.422 0.765 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246974854 945531686 /nfs/dbraw/zinc/53/16/86/945531686.db2.gz KDSJFYRUBNSWTE-PMPSAXMXSA-N 1 3 324.469 0.168 20 0 DCADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CCO ZINC001319245896 945532011 /nfs/dbraw/zinc/53/20/11/945532011.db2.gz PNTUVRYHDVQHIP-IUODEOHRSA-N 1 3 303.422 0.533 20 0 DCADHO FC(F)Oc1ncccc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247850228 945580103 /nfs/dbraw/zinc/58/01/03/945580103.db2.gz ISAXGDIFLATBIZ-UHFFFAOYSA-N 1 3 323.303 0.793 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001319472813 945597672 /nfs/dbraw/zinc/59/76/72/945597672.db2.gz LETCDNBSQSKGOU-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[N@H+](CCO)CCCNC[C@H](O)COc1ccc(Cl)cc1 ZINC001250693455 945671517 /nfs/dbraw/zinc/67/15/17/945671517.db2.gz NRGRGGCZSZDWSO-AWEZNQCLSA-N 1 3 316.829 0.984 20 0 DCADHO C[N@@H+](CCO)CCCNC[C@H](O)COc1ccc(Cl)cc1 ZINC001250693455 945671521 /nfs/dbraw/zinc/67/15/21/945671521.db2.gz NRGRGGCZSZDWSO-AWEZNQCLSA-N 1 3 316.829 0.984 20 0 DCADHO CCC[C@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001252782931 946000067 /nfs/dbraw/zinc/00/00/67/946000067.db2.gz WYTZFLLNXIFBSJ-UGUYLWEFSA-N 1 3 307.442 0.834 20 0 DCADHO CCC[C@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001252782931 946000079 /nfs/dbraw/zinc/00/00/79/946000079.db2.gz WYTZFLLNXIFBSJ-UGUYLWEFSA-N 1 3 307.442 0.834 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001253211298 946096809 /nfs/dbraw/zinc/09/68/09/946096809.db2.gz DBEFJMGMKAYHDT-HUUCEWRRSA-N 1 3 320.437 0.588 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H]1CCCNC1=O)[NH+](C)C ZINC001321351743 946292615 /nfs/dbraw/zinc/29/26/15/946292615.db2.gz ZTKVWHHBNDWMFU-QAMKJQMISA-N 1 3 310.442 0.113 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001321417984 946324671 /nfs/dbraw/zinc/32/46/71/946324671.db2.gz WWCIOXYLLBQXLX-NNTXTVRGSA-N 1 3 310.442 0.259 20 0 DCADHO COc1cc(CN[C@H](C)CN(C)C(=O)CC[NH+](C)C)ccn1 ZINC001410443520 946385741 /nfs/dbraw/zinc/38/57/41/946385741.db2.gz UWDZPXREMJQBAW-CYBMUJFWSA-N 1 3 308.426 0.978 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C1CC1 ZINC001410443265 946387934 /nfs/dbraw/zinc/38/79/34/946387934.db2.gz DLIBYQRJGJQUMW-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CCS(=O)(=O)N([C@@H]1CCC[NH2+]C1)[C@@H]1CC2CCN(CC2)C1 ZINC001254867478 946442685 /nfs/dbraw/zinc/44/26/85/946442685.db2.gz JPHFCSAMNGYFLX-HUUCEWRRSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001410485510 946479673 /nfs/dbraw/zinc/47/96/73/946479673.db2.gz FXNQNXAAHWAOBF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001410485510 946479681 /nfs/dbraw/zinc/47/96/81/946479681.db2.gz FXNQNXAAHWAOBF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](CNCCF)C1)[NH+](CC)CC ZINC001273316303 946491206 /nfs/dbraw/zinc/49/12/06/946491206.db2.gz QOZXWRAJWDRXKU-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CN1CC[C@@H](N(C[C@@H]2OC[C@@H]3C[NH2+]CC[C@H]23)c2ncccn2)C1 ZINC001255432332 946505556 /nfs/dbraw/zinc/50/55/56/946505556.db2.gz PZFYNIRMAJWZSI-FZKCQIBNSA-N 1 3 317.437 0.612 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001410602704 946638435 /nfs/dbraw/zinc/63/84/35/946638435.db2.gz PFVGYOAFILNEJV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001410602704 946638445 /nfs/dbraw/zinc/63/84/45/946638445.db2.gz PFVGYOAFILNEJV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410618883 946657187 /nfs/dbraw/zinc/65/71/87/946657187.db2.gz SXNMDEMXXJCENH-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410618883 946657193 /nfs/dbraw/zinc/65/71/93/946657193.db2.gz SXNMDEMXXJCENH-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1C[C@@H]2C[N@H+](C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257242661 946721383 /nfs/dbraw/zinc/72/13/83/946721383.db2.gz DLXAHFZTPSPBNH-OKILXGFUSA-N 1 3 315.483 0.684 20 0 DCADHO CCCN1C[C@@H]2C[N@@H+](C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC001257242661 946721387 /nfs/dbraw/zinc/72/13/87/946721387.db2.gz DLXAHFZTPSPBNH-OKILXGFUSA-N 1 3 315.483 0.684 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001257242661 946721393 /nfs/dbraw/zinc/72/13/93/946721393.db2.gz DLXAHFZTPSPBNH-OKILXGFUSA-N 1 3 315.483 0.684 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC001257242661 946721401 /nfs/dbraw/zinc/72/14/01/946721401.db2.gz DLXAHFZTPSPBNH-OKILXGFUSA-N 1 3 315.483 0.684 20 0 DCADHO Cc1ncc(CN[C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)cn1 ZINC001410859953 947042120 /nfs/dbraw/zinc/04/21/20/947042120.db2.gz MPMUGZXKQPHTTP-SWLSCSKDSA-N 1 3 305.426 0.816 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)C1CC1 ZINC001323499953 947106128 /nfs/dbraw/zinc/10/61/28/947106128.db2.gz FJJFYMNFNPKLNZ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001411225909 947515261 /nfs/dbraw/zinc/51/52/61/947515261.db2.gz SJFILDVUGYTJQT-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO CCc1nc([C@@H](C)N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001179486337 947851822 /nfs/dbraw/zinc/85/18/22/947851822.db2.gz JRMROPBRJDPQRS-AGIUHOORSA-N 1 3 322.457 0.959 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534558 947853223 /nfs/dbraw/zinc/85/32/23/947853223.db2.gz OSXLKSLVQUAIAQ-XQLPTFJDSA-N 1 3 313.442 0.057 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179549727 947867428 /nfs/dbraw/zinc/86/74/28/947867428.db2.gz HPUXKNORDVOOLM-MELADBBJSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)[C@@H]1C)N(C)C ZINC001179549555 947867646 /nfs/dbraw/zinc/86/76/46/947867646.db2.gz DVEDXTCYMNGZIN-IHRRRGAJSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179549964 947867720 /nfs/dbraw/zinc/86/77/20/947867720.db2.gz OIRAYYVECFMGEL-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609337 947873690 /nfs/dbraw/zinc/87/36/90/947873690.db2.gz OPBHLPTVJQWWJG-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001180157114 947905115 /nfs/dbraw/zinc/90/51/15/947905115.db2.gz XEHNLOQXRIELAC-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CCOC(=O)CC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273470258 947911440 /nfs/dbraw/zinc/91/14/40/947911440.db2.gz VTRUKGJFCQLHAG-MRXNPFEDSA-N 1 3 311.426 0.426 20 0 DCADHO CCOC(=O)CC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273470258 947911448 /nfs/dbraw/zinc/91/14/48/947911448.db2.gz VTRUKGJFCQLHAG-MRXNPFEDSA-N 1 3 311.426 0.426 20 0 DCADHO COCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001325765826 947917573 /nfs/dbraw/zinc/91/75/73/947917573.db2.gz AWISNYIWPKSULI-OKILXGFUSA-N 1 3 306.410 0.769 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001325765826 947917580 /nfs/dbraw/zinc/91/75/80/947917580.db2.gz AWISNYIWPKSULI-OKILXGFUSA-N 1 3 306.410 0.769 20 0 DCADHO CN(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1ccnc1 ZINC001273712026 948041321 /nfs/dbraw/zinc/04/13/21/948041321.db2.gz NVCDGSAPRHJCBS-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO CN(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1ccnc1 ZINC001273712026 948041332 /nfs/dbraw/zinc/04/13/32/948041332.db2.gz NVCDGSAPRHJCBS-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC001326766213 948271383 /nfs/dbraw/zinc/27/13/83/948271383.db2.gz DJTBSTSAXBCQRS-OAHLLOKOSA-N 1 3 308.470 0.520 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)N(C)C ZINC001273837849 948410851 /nfs/dbraw/zinc/41/08/51/948410851.db2.gz HKKDWWQEPUXVSV-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)N(C)C ZINC001273837849 948410858 /nfs/dbraw/zinc/41/08/58/948410858.db2.gz HKKDWWQEPUXVSV-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001488192307 948597587 /nfs/dbraw/zinc/59/75/87/948597587.db2.gz DVVHDMHPPZAPMK-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001328384412 948866921 /nfs/dbraw/zinc/86/69/21/948866921.db2.gz GRDFBWWCULCVTH-UHFFFAOYSA-N 1 3 300.447 0.053 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(N[C@H]2CCn3ccnc32)CC1 ZINC001328615609 948991890 /nfs/dbraw/zinc/99/18/90/948991890.db2.gz LADWWZXSWGYJCC-AWEZNQCLSA-N 1 3 305.426 0.908 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1)C1CC1 ZINC001328749344 949066561 /nfs/dbraw/zinc/06/65/61/949066561.db2.gz WTERMBDGQOQBSS-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001265928859 950152736 /nfs/dbraw/zinc/15/27/36/950152736.db2.gz SUSJXAAMVKSUJY-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001330880186 950734648 /nfs/dbraw/zinc/73/46/48/950734648.db2.gz QJJOQZKANLZELC-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(NCCN1CCN(CC2CC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001490492249 950744133 /nfs/dbraw/zinc/74/41/33/950744133.db2.gz HTFHMQPOZVZFBV-KRWDZBQOSA-N 1 3 320.481 0.472 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001490605304 950939447 /nfs/dbraw/zinc/93/94/47/950939447.db2.gz AVKMFSAXBNZAFF-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001490605304 950939463 /nfs/dbraw/zinc/93/94/63/950939463.db2.gz AVKMFSAXBNZAFF-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001490611020 950946316 /nfs/dbraw/zinc/94/63/16/950946316.db2.gz QJSKQEIKPLUSBG-UONOGXRCSA-N 1 3 324.469 0.561 20 0 DCADHO COCC[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCOCC1 ZINC001274001788 951312725 /nfs/dbraw/zinc/31/27/25/951312725.db2.gz BOZATGQUINYYEB-AWEZNQCLSA-N 1 3 313.442 0.230 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]CCCF)CCOCC1)N(C)C ZINC001274006984 951320033 /nfs/dbraw/zinc/32/00/33/951320033.db2.gz JUTMELPFTVSICZ-CYBMUJFWSA-N 1 3 303.422 0.941 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001365856737 951620069 /nfs/dbraw/zinc/62/00/69/951620069.db2.gz HAHGVDDETFSMNO-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001365855890 951620202 /nfs/dbraw/zinc/62/02/02/951620202.db2.gz PWHJNIOLMQZAEV-AJNGGQMLSA-N 1 3 322.453 0.091 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCC(=O)N1)C2 ZINC001275188639 951992084 /nfs/dbraw/zinc/99/20/84/951992084.db2.gz OTAAKCPDDLZSJB-NVXWUHKLSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCC(=O)N1)C2 ZINC001275188639 951992092 /nfs/dbraw/zinc/99/20/92/951992092.db2.gz OTAAKCPDDLZSJB-NVXWUHKLSA-N 1 3 308.470 0.615 20 0 DCADHO CCCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542969 952244377 /nfs/dbraw/zinc/24/43/77/952244377.db2.gz XOAHOYQZLURGSN-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CCC[NH2+]CCCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001275914942 952521850 /nfs/dbraw/zinc/52/18/50/952521850.db2.gz HXAITNVQYIGSOG-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)C[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)C ZINC001336756498 952761512 /nfs/dbraw/zinc/76/15/12/952761512.db2.gz OVCYLBNBINWJMJ-HOTGVXAUSA-N 1 3 300.491 0.161 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CC1 ZINC001337403389 952853737 /nfs/dbraw/zinc/85/37/37/952853737.db2.gz QJEAPTQBLKKHNZ-KRWDZBQOSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001276227371 953015771 /nfs/dbraw/zinc/01/57/71/953015771.db2.gz RAABCMQEHDXWMO-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001338466558 953016150 /nfs/dbraw/zinc/01/61/50/953016150.db2.gz JIONGDBWLRQVLH-DLBZAZTESA-N 1 3 312.502 0.305 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001416675152 953467363 /nfs/dbraw/zinc/46/73/63/953467363.db2.gz GSHNCQRSEPDIJB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001416675152 953467373 /nfs/dbraw/zinc/46/73/73/953467373.db2.gz GSHNCQRSEPDIJB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN1CC[NH+](CC2CC2)CC1)N(C)C ZINC001365962867 953477239 /nfs/dbraw/zinc/47/72/39/953477239.db2.gz GPYQXUXYIHWXIH-INIZCTEOSA-N 1 3 310.486 0.716 20 0 DCADHO CCN(C)C(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366068982 953644426 /nfs/dbraw/zinc/64/44/26/953644426.db2.gz UKKIHLDLVXAXOL-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366068982 953644435 /nfs/dbraw/zinc/64/44/35/953644435.db2.gz UKKIHLDLVXAXOL-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001366115194 953704349 /nfs/dbraw/zinc/70/43/49/953704349.db2.gz FQZZXFUVAPASKR-SYQHCUMBSA-N 1 3 312.458 0.286 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366122567 953713793 /nfs/dbraw/zinc/71/37/93/953713793.db2.gz VQDQPDXSAFNCCC-HDJSIYSDSA-N 1 3 317.437 0.864 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001366208658 953823591 /nfs/dbraw/zinc/82/35/91/953823591.db2.gz QVALSBIXVGHADY-CQSZACIVSA-N 1 3 322.457 0.485 20 0 DCADHO CC(C)C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001346509177 953906097 /nfs/dbraw/zinc/90/60/97/953906097.db2.gz UVIRMDKQOVQVLZ-AWEZNQCLSA-N 1 3 314.474 0.489 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)N1CCCC1)[NH+](C)C ZINC001366299001 953982414 /nfs/dbraw/zinc/98/24/14/953982414.db2.gz YXSQNYYURVFDCP-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)NCCNC(=O)CC[NH+](C)C)CC(C)(C)C ZINC001283155333 954074037 /nfs/dbraw/zinc/07/40/37/954074037.db2.gz CGIXUVYTTSGAOM-UHFFFAOYSA-N 1 3 300.447 0.148 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001366367156 954106453 /nfs/dbraw/zinc/10/64/53/954106453.db2.gz NIDZZKYZVWSJFN-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001366396276 954148590 /nfs/dbraw/zinc/14/85/90/954148590.db2.gz BHAUNEBQFQZNIS-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCn1cccn1 ZINC001366528149 954351160 /nfs/dbraw/zinc/35/11/60/954351160.db2.gz IKRLQSKYTZPCNP-HNNXBMFYSA-N 1 3 307.442 0.804 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCn1cccn1 ZINC001366528149 954351175 /nfs/dbraw/zinc/35/11/75/954351175.db2.gz IKRLQSKYTZPCNP-HNNXBMFYSA-N 1 3 307.442 0.804 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[C@H](O)COC ZINC001366627998 954546418 /nfs/dbraw/zinc/54/64/18/954546418.db2.gz QOPLJOPKPGZDFY-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[C@H](O)COC ZINC001366627998 954546433 /nfs/dbraw/zinc/54/64/33/954546433.db2.gz QOPLJOPKPGZDFY-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO CCN1CC[C@H](N2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001366689812 954659194 /nfs/dbraw/zinc/65/91/94/954659194.db2.gz NQHIAIWHXCIWJN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001446945652 1013128432 /nfs/dbraw/zinc/12/84/32/1013128432.db2.gz NXSCFZOQDFMTTJ-KGLIPLIRSA-N 1 3 322.457 0.482 20 0 DCADHO CCN1CCN(CCC[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001349612653 954814394 /nfs/dbraw/zinc/81/43/94/954814394.db2.gz RORCHQGXTGCFRC-UHFFFAOYSA-N 1 3 317.499 0.428 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001366783203 954840783 /nfs/dbraw/zinc/84/07/83/954840783.db2.gz OAFOBRDSRZEMHR-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001366879878 954980269 /nfs/dbraw/zinc/98/02/69/954980269.db2.gz GLUAKPQCRKWBSZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001366879878 954980284 /nfs/dbraw/zinc/98/02/84/954980284.db2.gz GLUAKPQCRKWBSZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NCc1nccn1C ZINC001367109328 955327182 /nfs/dbraw/zinc/32/71/82/955327182.db2.gz XLROEWQFZNZOLA-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NCc1nccn1C ZINC001367109328 955327193 /nfs/dbraw/zinc/32/71/93/955327193.db2.gz XLROEWQFZNZOLA-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(CC)CC(=O)N(C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001351739974 955397265 /nfs/dbraw/zinc/39/72/65/955397265.db2.gz IKYDKVZAAWQHKB-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001367315854 955633842 /nfs/dbraw/zinc/63/38/42/955633842.db2.gz BBBXWLFDOQRLGF-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O)N(C)C ZINC001446957298 1013135797 /nfs/dbraw/zinc/13/57/97/1013135797.db2.gz QQLSRULSOGKOHL-SBJFKYEJSA-N 1 3 324.469 0.560 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O)N(C)C ZINC001446957298 1013135800 /nfs/dbraw/zinc/13/58/00/1013135800.db2.gz QQLSRULSOGKOHL-SBJFKYEJSA-N 1 3 324.469 0.560 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001353308309 956011394 /nfs/dbraw/zinc/01/13/94/956011394.db2.gz AXJHMXCNTSBGTP-MELADBBJSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1cnn(C)c1 ZINC001480516856 956098957 /nfs/dbraw/zinc/09/89/57/956098957.db2.gz ZJNILEFQJXTHRA-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001367369733 957729165 /nfs/dbraw/zinc/72/91/65/957729165.db2.gz NNTDHINCCSHWID-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001367369733 957729171 /nfs/dbraw/zinc/72/91/71/957729171.db2.gz NNTDHINCCSHWID-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001367405003 957777011 /nfs/dbraw/zinc/77/70/11/957777011.db2.gz MRHYGGQWWNBPQX-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496081812 957840346 /nfs/dbraw/zinc/84/03/46/957840346.db2.gz WVXOJPGYBDNSAL-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001496081812 957840354 /nfs/dbraw/zinc/84/03/54/957840354.db2.gz WVXOJPGYBDNSAL-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccnn1C)C(C)C)N(C)C ZINC001367471397 957858322 /nfs/dbraw/zinc/85/83/22/957858322.db2.gz FGWSAICPNZMIOQ-HUUCEWRRSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001367489964 957883408 /nfs/dbraw/zinc/88/34/08/957883408.db2.gz SSTUMGOJYLZZGB-LSDHHAIUSA-N 1 3 322.457 0.350 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CCc1ccnn1C)N(C)C ZINC001367531480 957975953 /nfs/dbraw/zinc/97/59/53/957975953.db2.gz KLPOTIJGOHAWNZ-HNNXBMFYSA-N 1 3 309.458 0.693 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001367531480 957975960 /nfs/dbraw/zinc/97/59/60/957975960.db2.gz KLPOTIJGOHAWNZ-HNNXBMFYSA-N 1 3 309.458 0.693 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc(C)nn1 ZINC001367673537 958329907 /nfs/dbraw/zinc/32/99/07/958329907.db2.gz TVFQYOTWKKTWNW-NEPJUHHUSA-N 1 3 307.398 0.408 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367685535 958364253 /nfs/dbraw/zinc/36/42/53/958364253.db2.gz GRYKHEOGQXMIDI-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367685535 958364268 /nfs/dbraw/zinc/36/42/68/958364268.db2.gz GRYKHEOGQXMIDI-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367691742 958376153 /nfs/dbraw/zinc/37/61/53/958376153.db2.gz NYUCDTPBWZZZFY-NEPJUHHUSA-N 1 3 310.442 0.090 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367695188 958391457 /nfs/dbraw/zinc/39/14/57/958391457.db2.gz UOCSIMDVLVKBMN-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001491578402 958870074 /nfs/dbraw/zinc/87/00/74/958870074.db2.gz DXPNAZQNWOJPOO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001367924471 958874797 /nfs/dbraw/zinc/87/47/97/958874797.db2.gz WJNNFEBAIIFNLX-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001376810871 958895244 /nfs/dbraw/zinc/89/52/44/958895244.db2.gz PFUFTECZEACCKO-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001376810871 958895264 /nfs/dbraw/zinc/89/52/64/958895264.db2.gz PFUFTECZEACCKO-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001367966772 958977300 /nfs/dbraw/zinc/97/73/00/958977300.db2.gz ANPVAESNGGCUMO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001367966772 958977311 /nfs/dbraw/zinc/97/73/11/958977311.db2.gz ANPVAESNGGCUMO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001376856008 958993511 /nfs/dbraw/zinc/99/35/11/958993511.db2.gz PDEDXOTYBLBODV-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001376878541 959047960 /nfs/dbraw/zinc/04/79/60/959047960.db2.gz KYNYQFOSBFTAGZ-MNOVXSKESA-N 1 3 313.364 0.734 20 0 DCADHO COCC[N@H+](C[C@H](C)O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001368050727 959154670 /nfs/dbraw/zinc/15/46/70/959154670.db2.gz IEKLIGPORSMXHI-ZDUSSCGKSA-N 1 3 324.425 0.272 20 0 DCADHO COCC[N@@H+](C[C@H](C)O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001368050727 959154676 /nfs/dbraw/zinc/15/46/76/959154676.db2.gz IEKLIGPORSMXHI-ZDUSSCGKSA-N 1 3 324.425 0.272 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001376936346 959170829 /nfs/dbraw/zinc/17/08/29/959170829.db2.gz OQRMOEKAHXFFHS-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376951227 959193090 /nfs/dbraw/zinc/19/30/90/959193090.db2.gz BVIXNGDHGXDOCK-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376952893 959194734 /nfs/dbraw/zinc/19/47/34/959194734.db2.gz GDVQNULBXSSLHR-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376965660 959214623 /nfs/dbraw/zinc/21/46/23/959214623.db2.gz NWCMTQVBLTZBCQ-STQMWFEESA-N 1 3 321.425 0.305 20 0 DCADHO CCc1nc([C@H](C)NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001368111687 959260683 /nfs/dbraw/zinc/26/06/83/959260683.db2.gz WPPOTDSNAWAZAU-STQMWFEESA-N 1 3 322.457 0.960 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001368126385 959289722 /nfs/dbraw/zinc/28/97/22/959289722.db2.gz UWNSNNCSYDOSNX-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001368161967 959373905 /nfs/dbraw/zinc/37/39/05/959373905.db2.gz HHGWUZGTVLJWJT-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001368180017 959413733 /nfs/dbraw/zinc/41/37/33/959413733.db2.gz QHHVUPIZEFDINE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001492055076 959530253 /nfs/dbraw/zinc/53/02/53/959530253.db2.gz GQLIUNVWEGLJGV-UHFFFAOYSA-N 1 3 321.425 0.355 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001492055076 959530268 /nfs/dbraw/zinc/53/02/68/959530268.db2.gz GQLIUNVWEGLJGV-UHFFFAOYSA-N 1 3 321.425 0.355 20 0 DCADHO CCC1([NH2+]CC(=O)N(C)C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377141499 959557487 /nfs/dbraw/zinc/55/74/87/959557487.db2.gz APXVVFCTPGQJQT-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001368347051 959707584 /nfs/dbraw/zinc/70/75/84/959707584.db2.gz SVYFJDNYUGSSAH-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001368362765 959736750 /nfs/dbraw/zinc/73/67/50/959736750.db2.gz HRVWCZNZJKBZAQ-IYBDPMFKSA-N 1 3 319.453 0.652 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001368362765 959736760 /nfs/dbraw/zinc/73/67/60/959736760.db2.gz HRVWCZNZJKBZAQ-IYBDPMFKSA-N 1 3 319.453 0.652 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001377256362 959804747 /nfs/dbraw/zinc/80/47/47/959804747.db2.gz DHYATXWDUPUWSJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001368474850 959917964 /nfs/dbraw/zinc/91/79/64/959917964.db2.gz JQQMYNMUQKJITO-MCIONIFRSA-N 1 3 324.469 0.609 20 0 DCADHO CN(CCCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001492428684 959948691 /nfs/dbraw/zinc/94/86/91/959948691.db2.gz ODJJDONRMOAISD-SJORKVTESA-N 1 3 319.449 0.762 20 0 DCADHO CN(CCCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001492428684 959948695 /nfs/dbraw/zinc/94/86/95/959948695.db2.gz ODJJDONRMOAISD-SJORKVTESA-N 1 3 319.449 0.762 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001368518426 959971857 /nfs/dbraw/zinc/97/18/57/959971857.db2.gz FCUVMRJYBDQEJM-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001368518426 959971861 /nfs/dbraw/zinc/97/18/61/959971861.db2.gz FCUVMRJYBDQEJM-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)[NH2+]CC(=O)Nc1ccon1 ZINC001368748390 960222309 /nfs/dbraw/zinc/22/23/09/960222309.db2.gz KPYZTDSCASDFDX-LBPRGKRZSA-N 1 3 323.397 0.193 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC1(CO)CC[NH+](CC)CC1 ZINC001377559870 960282335 /nfs/dbraw/zinc/28/23/35/960282335.db2.gz MUSMFHPLZBVIEP-ZDUSSCGKSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC(=O)N2CCC2)C1 ZINC001368826022 960321734 /nfs/dbraw/zinc/32/17/34/960321734.db2.gz TYVYSYCKBGPSBV-UHFFFAOYSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001377714122 960488308 /nfs/dbraw/zinc/48/83/08/960488308.db2.gz JPXTZRXQAIXQIJ-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001377723180 960501942 /nfs/dbraw/zinc/50/19/42/960501942.db2.gz IEALQQFEAIIBKL-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001377845352 960794722 /nfs/dbraw/zinc/79/47/22/960794722.db2.gz ZTTFEYOCZSRSGY-QWRGUYRKSA-N 1 3 308.430 0.438 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001377910693 960957336 /nfs/dbraw/zinc/95/73/36/960957336.db2.gz NHDVPMWBSGNOHR-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001447075429 1013239667 /nfs/dbraw/zinc/23/96/67/1013239667.db2.gz IRSPYMGVACFACH-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCc1ccnn1C ZINC001378120393 961470888 /nfs/dbraw/zinc/47/08/88/961470888.db2.gz GEAYMDUITHPSGJ-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378846685 961592560 /nfs/dbraw/zinc/59/25/60/961592560.db2.gz UQNHOKQRINPFGX-DZGCQCFKSA-N 1 3 314.474 0.487 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001430230263 1013269899 /nfs/dbraw/zinc/26/98/99/1013269899.db2.gz PIZAHNZWBOSALF-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001430230263 1013269904 /nfs/dbraw/zinc/26/99/04/1013269904.db2.gz PIZAHNZWBOSALF-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001378853450 961607579 /nfs/dbraw/zinc/60/75/79/961607579.db2.gz PESJEGHPYDRMMQ-IIAWOOMASA-N 1 3 321.469 0.991 20 0 DCADHO C[C@@H](C(N)=O)N(C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001378914682 961702497 /nfs/dbraw/zinc/70/24/97/961702497.db2.gz FHTNLBPKRNALIC-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](C(N)=O)N(C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001378914682 961702508 /nfs/dbraw/zinc/70/25/08/961702508.db2.gz FHTNLBPKRNALIC-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001378933067 961726924 /nfs/dbraw/zinc/72/69/24/961726924.db2.gz STGBBEFQIWHZBG-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001378933067 961726930 /nfs/dbraw/zinc/72/69/30/961726930.db2.gz STGBBEFQIWHZBG-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001379750995 961938329 /nfs/dbraw/zinc/93/83/29/961938329.db2.gz NJCJBARHTMTMQP-XJKSGUPXSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001379126067 962156609 /nfs/dbraw/zinc/15/66/09/962156609.db2.gz KUZNBRNQIWCQQU-CQSZACIVSA-N 1 3 322.457 0.497 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001379126067 962156617 /nfs/dbraw/zinc/15/66/17/962156617.db2.gz KUZNBRNQIWCQQU-CQSZACIVSA-N 1 3 322.457 0.497 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)CC[N@@H+]1C ZINC001379858640 962159250 /nfs/dbraw/zinc/15/92/50/962159250.db2.gz OGHZFUJULZXEEL-DFBGVHRSSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)CC[N@H+]1C ZINC001379858640 962159263 /nfs/dbraw/zinc/15/92/63/962159263.db2.gz OGHZFUJULZXEEL-DFBGVHRSSA-N 1 3 322.453 0.090 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001379885638 962210628 /nfs/dbraw/zinc/21/06/28/962210628.db2.gz ZANNXFVXMKARHX-CHWSQXEVSA-N 1 3 321.412 0.781 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001379899520 962242583 /nfs/dbraw/zinc/24/25/83/962242583.db2.gz UCXQUQBMNSEJMD-TZMCWYRMSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001379167142 962252526 /nfs/dbraw/zinc/25/25/26/962252526.db2.gz HFVPYPNKOGVDJY-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C)[NH+](C)C ZINC001379229967 962414047 /nfs/dbraw/zinc/41/40/47/962414047.db2.gz NUWYKCYTQGUZJM-TZMCWYRMSA-N 1 3 300.447 0.097 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001379325694 962629308 /nfs/dbraw/zinc/62/93/08/962629308.db2.gz HGQGTZNOTRVMSF-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001379356810 962711674 /nfs/dbraw/zinc/71/16/74/962711674.db2.gz IJRKNTJARDINHS-MLGOLLRUSA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001379449796 962953070 /nfs/dbraw/zinc/95/30/70/962953070.db2.gz RALNYKSHMRDPRL-OAHLLOKOSA-N 1 3 312.458 0.194 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001380271283 962964406 /nfs/dbraw/zinc/96/44/06/962964406.db2.gz MGDHCMAVJUSRKP-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001379456379 962965080 /nfs/dbraw/zinc/96/50/80/962965080.db2.gz LGJYWXCPOVQLMP-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001379456379 962965095 /nfs/dbraw/zinc/96/50/95/962965095.db2.gz LGJYWXCPOVQLMP-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001380287572 962996477 /nfs/dbraw/zinc/99/64/77/962996477.db2.gz BBPCOJZDBHWNAE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001379550196 963171730 /nfs/dbraw/zinc/17/17/30/963171730.db2.gz HUWIAMONVXCKCQ-JSGCOSHPSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001380456512 963216052 /nfs/dbraw/zinc/21/60/52/963216052.db2.gz ICYZRUIJIMNXIL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001380456512 963216063 /nfs/dbraw/zinc/21/60/63/963216063.db2.gz ICYZRUIJIMNXIL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001379597577 963242760 /nfs/dbraw/zinc/24/27/60/963242760.db2.gz KAZRYKCTHRASLR-WFASDCNBSA-N 1 3 307.442 0.759 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001379601553 963249661 /nfs/dbraw/zinc/24/96/61/963249661.db2.gz RQRUSWRCSMYJHP-RYUDHWBXSA-N 1 3 306.410 0.330 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001380538757 963322742 /nfs/dbraw/zinc/32/27/42/963322742.db2.gz SOFZTSULMNOYBB-GOEBONIOSA-N 1 3 315.433 0.773 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001380538757 963322749 /nfs/dbraw/zinc/32/27/49/963322749.db2.gz SOFZTSULMNOYBB-GOEBONIOSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)CC[NH+](C)C ZINC001380770851 963573215 /nfs/dbraw/zinc/57/32/15/963573215.db2.gz VFBIFJAAXPVEMK-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCC[N@H+](C)CCn1cccn1)C(=O)[C@H]1CCCN1C ZINC001380973568 963734255 /nfs/dbraw/zinc/73/42/55/963734255.db2.gz YOXHBWBOVRUJBE-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CN(CCC[N@@H+](C)CCn1cccn1)C(=O)[C@H]1CCCN1C ZINC001380973568 963734263 /nfs/dbraw/zinc/73/42/63/963734263.db2.gz YOXHBWBOVRUJBE-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001447526672 1013450952 /nfs/dbraw/zinc/45/09/52/1013450952.db2.gz OENZRWDRJONADY-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001447526672 1013450960 /nfs/dbraw/zinc/45/09/60/1013450960.db2.gz OENZRWDRJONADY-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001368877708 964087116 /nfs/dbraw/zinc/08/71/16/964087116.db2.gz UYNNWAFUBVZTRE-NEPJUHHUSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001368877708 964087127 /nfs/dbraw/zinc/08/71/27/964087127.db2.gz UYNNWAFUBVZTRE-NEPJUHHUSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)N(C)C ZINC001375227253 964151889 /nfs/dbraw/zinc/15/18/89/964151889.db2.gz BHEFGADKGXQWMY-OCCSQVGLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001375253530 964173403 /nfs/dbraw/zinc/17/34/03/964173403.db2.gz CAXLQPWOPQHLRC-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)CCc1ccnn1C ZINC001368989898 964251955 /nfs/dbraw/zinc/25/19/55/964251955.db2.gz HBZMLDQIHKHWJJ-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CCc1ccnn1C ZINC001368989898 964251961 /nfs/dbraw/zinc/25/19/61/964251961.db2.gz HBZMLDQIHKHWJJ-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001369181270 964496366 /nfs/dbraw/zinc/49/63/66/964496366.db2.gz NLKQYUNNMYXRJA-NOLJZWGESA-N 1 3 324.469 0.336 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375517570 964501670 /nfs/dbraw/zinc/50/16/70/964501670.db2.gz YYUGABCOYUUUFH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375517570 964501677 /nfs/dbraw/zinc/50/16/77/964501677.db2.gz YYUGABCOYUUUFH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1 ZINC001369186959 964502955 /nfs/dbraw/zinc/50/29/55/964502955.db2.gz ULTUQJKAVAPXGC-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001369230772 964558511 /nfs/dbraw/zinc/55/85/11/964558511.db2.gz CIRVEHOMUAPVST-WFASDCNBSA-N 1 3 307.442 0.759 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCCC1 ZINC001373845696 964708467 /nfs/dbraw/zinc/70/84/67/964708467.db2.gz ONKVSCGVSSTNRE-KGLIPLIRSA-N 1 3 324.469 0.752 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC001373844823 964708727 /nfs/dbraw/zinc/70/87/27/964708727.db2.gz FUVSYEYWQDZKHY-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001373912942 964778845 /nfs/dbraw/zinc/77/88/45/964778845.db2.gz SPWSXDIMSFEHCB-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001373950730 964809768 /nfs/dbraw/zinc/80/97/68/964809768.db2.gz RDRLBDSCNQJXDG-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NCc2ccccc2)CC[N@@H+]1C ZINC001369356126 964813128 /nfs/dbraw/zinc/81/31/28/964813128.db2.gz VPEYPJWYQKGVSD-XIRDDKMYSA-N 1 3 319.449 0.984 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NCc2ccccc2)CC[N@H+]1C ZINC001369356126 964813134 /nfs/dbraw/zinc/81/31/34/964813134.db2.gz VPEYPJWYQKGVSD-XIRDDKMYSA-N 1 3 319.449 0.984 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CC(C)(C)C2)C1 ZINC001369358596 964819588 /nfs/dbraw/zinc/81/95/88/964819588.db2.gz CYTUMRBEQKMZHT-ZFWWWQNUSA-N 1 3 311.470 0.831 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001373967710 964831116 /nfs/dbraw/zinc/83/11/16/964831116.db2.gz UZLWCSTYHHJMHH-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001373971711 964835812 /nfs/dbraw/zinc/83/58/12/964835812.db2.gz MKNJKMKKMFZJFD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001373982351 964848650 /nfs/dbraw/zinc/84/86/50/964848650.db2.gz TVCJBQULJVYPNP-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374017536 964894678 /nfs/dbraw/zinc/89/46/78/964894678.db2.gz IBFPNLSMYFNUIS-SMDDNHRTSA-N 1 3 323.466 0.722 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+][C@@H]1CCNC1=O ZINC001374018782 964896603 /nfs/dbraw/zinc/89/66/03/964896603.db2.gz ZYUXKNJAKQQMLU-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C[C@@H]1C ZINC001369407121 964917992 /nfs/dbraw/zinc/91/79/92/964917992.db2.gz YSOLLOSVTKWKAP-LSDHHAIUSA-N 1 3 321.469 0.882 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001375865069 964936769 /nfs/dbraw/zinc/93/67/69/964936769.db2.gz BTMORXZDXYHZPO-BBRMVZONSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1 ZINC001369442342 964981226 /nfs/dbraw/zinc/98/12/26/964981226.db2.gz ICILJVYUMVQBTC-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1 ZINC001369455467 965006457 /nfs/dbraw/zinc/00/64/57/965006457.db2.gz IVRRKZNDYHEMPA-QWHCGFSZSA-N 1 3 310.442 0.042 20 0 DCADHO Cc1ncc(CNC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001374099064 965010556 /nfs/dbraw/zinc/01/05/56/965010556.db2.gz QEORMVQDUKPFBM-GFCCVEGCSA-N 1 3 306.410 0.921 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1 ZINC001374180127 965099064 /nfs/dbraw/zinc/09/90/64/965099064.db2.gz RFADMATYFWKKDB-ZDUSSCGKSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001374180124 965100810 /nfs/dbraw/zinc/10/08/10/965100810.db2.gz RFADMATYFWKKDB-CYBMUJFWSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374273923 965211416 /nfs/dbraw/zinc/21/14/16/965211416.db2.gz AFIVCEIJZYSMJG-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC001369619091 965218526 /nfs/dbraw/zinc/21/85/26/965218526.db2.gz GYTCGYZYYHNEKD-UHFFFAOYSA-N 1 3 321.469 0.882 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001374376581 965324052 /nfs/dbraw/zinc/32/40/52/965324052.db2.gz HTOMEFXBPAGWDQ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001374400061 965341656 /nfs/dbraw/zinc/34/16/56/965341656.db2.gz XCSJKBISSXPUNV-STQMWFEESA-N 1 3 321.425 0.305 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001369752181 965356792 /nfs/dbraw/zinc/35/67/92/965356792.db2.gz IGNMLPVZRSYZHA-UKRRQHHQSA-N 1 3 317.449 0.970 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001376253918 965440470 /nfs/dbraw/zinc/44/04/70/965440470.db2.gz UGIKHSJXJJCXFR-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369834194 965468631 /nfs/dbraw/zinc/46/86/31/965468631.db2.gz AOUHTVBAHKDYDQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369834194 965468634 /nfs/dbraw/zinc/46/86/34/965468634.db2.gz AOUHTVBAHKDYDQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]([NH2+]CCn1cncn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376347878 965550977 /nfs/dbraw/zinc/55/09/77/965550977.db2.gz PLMANCVVLMNHSO-CABCVRRESA-N 1 3 320.441 0.201 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN1CCN(CCCF)CC1)[NH+](C)C ZINC001369932484 965582054 /nfs/dbraw/zinc/58/20/54/965582054.db2.gz IHJGCKXTPMABFO-HNNXBMFYSA-N 1 3 316.465 0.666 20 0 DCADHO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)NC1CC1 ZINC001376396517 965610319 /nfs/dbraw/zinc/61/03/19/965610319.db2.gz KFKABMQDKIOTIQ-JURCDPSOSA-N 1 3 322.453 0.232 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001376401013 965614370 /nfs/dbraw/zinc/61/43/70/965614370.db2.gz MWZBMVLQKPRBJA-XUXIUFHCSA-N 1 3 310.442 0.040 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001374613414 965638778 /nfs/dbraw/zinc/63/87/78/965638778.db2.gz FCEFUOARNZWFBM-OAHLLOKOSA-N 1 3 324.400 0.272 20 0 DCADHO CC[C@H](CN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1)OC ZINC001376482292 965718251 /nfs/dbraw/zinc/71/82/51/965718251.db2.gz PRGPOKMALAZQTI-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001376496520 965739651 /nfs/dbraw/zinc/73/96/51/965739651.db2.gz ZBAUUARWZQCZEN-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1)N(C)C ZINC001374691919 965763937 /nfs/dbraw/zinc/76/39/37/965763937.db2.gz GFAOTIKIDPQEAK-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1)N(C)C ZINC001374691919 965763946 /nfs/dbraw/zinc/76/39/46/965763946.db2.gz GFAOTIKIDPQEAK-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001374702697 965782601 /nfs/dbraw/zinc/78/26/01/965782601.db2.gz KMBJPTSBYKGHQV-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC001376612291 965893072 /nfs/dbraw/zinc/89/30/72/965893072.db2.gz PPOPVQSFDMLQOB-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC001376612291 965893078 /nfs/dbraw/zinc/89/30/78/965893078.db2.gz PPOPVQSFDMLQOB-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21)N(C)C ZINC001376652790 965941053 /nfs/dbraw/zinc/94/10/53/965941053.db2.gz WYVGMKFZBDDZKY-OWYFMNJBSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21)N(C)C ZINC001376652790 965941065 /nfs/dbraw/zinc/94/10/65/965941065.db2.gz WYVGMKFZBDDZKY-OWYFMNJBSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001374815426 965972375 /nfs/dbraw/zinc/97/23/75/965972375.db2.gz ZDWCFLWDSIKAGM-OLZOCXBDSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001374823531 965985673 /nfs/dbraw/zinc/98/56/73/965985673.db2.gz YHSPWLZRFTUADE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001370394223 966078876 /nfs/dbraw/zinc/07/88/76/966078876.db2.gz ZDNUKEOSXDXHGZ-UONOGXRCSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374903451 966118622 /nfs/dbraw/zinc/11/86/22/966118622.db2.gz AOIAFZVXWMKVDI-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001374906393 966123402 /nfs/dbraw/zinc/12/34/02/966123402.db2.gz OEKRNWJXZHRYRQ-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447913145 1013644758 /nfs/dbraw/zinc/64/47/58/1013644758.db2.gz XVLPGQGTMYHGLN-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO CN(CC(C)(C)CNCc1ccn(C)n1)C(=O)CC[NH+](C)C ZINC001381478264 966448773 /nfs/dbraw/zinc/44/87/73/966448773.db2.gz IWFIHJAUILOGSE-UHFFFAOYSA-N 1 3 309.458 0.946 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001370871602 966556382 /nfs/dbraw/zinc/55/63/82/966556382.db2.gz FTSXBGPXWNHPTB-JSGCOSHPSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001370871602 966556387 /nfs/dbraw/zinc/55/63/87/966556387.db2.gz FTSXBGPXWNHPTB-JSGCOSHPSA-N 1 3 321.425 0.400 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCNC1=O ZINC001371179604 966786787 /nfs/dbraw/zinc/78/67/87/966786787.db2.gz PMPLCFYJDBMEGA-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001371179604 966786792 /nfs/dbraw/zinc/78/67/92/966786792.db2.gz PMPLCFYJDBMEGA-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001381974858 966834296 /nfs/dbraw/zinc/83/42/96/966834296.db2.gz PBGDEAUHOUINLN-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](C(=O)N(C)C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001381974858 966834302 /nfs/dbraw/zinc/83/43/02/966834302.db2.gz PBGDEAUHOUINLN-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001381980186 966841081 /nfs/dbraw/zinc/84/10/81/966841081.db2.gz FOPMWQNHHDKSCO-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001381980186 966841088 /nfs/dbraw/zinc/84/10/88/966841088.db2.gz FOPMWQNHHDKSCO-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382034223 966879412 /nfs/dbraw/zinc/87/94/12/966879412.db2.gz QPDZYRRWDOFRIK-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccnn1C ZINC001382091882 966931980 /nfs/dbraw/zinc/93/19/80/966931980.db2.gz NUHPCGJOMYDEDS-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382165569 966997950 /nfs/dbraw/zinc/99/79/50/966997950.db2.gz VFWWBSLCLQTPII-OCCSQVGLSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382165569 966997956 /nfs/dbraw/zinc/99/79/56/966997956.db2.gz VFWWBSLCLQTPII-OCCSQVGLSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)n1 ZINC001371554114 967113005 /nfs/dbraw/zinc/11/30/05/967113005.db2.gz CGSAJTQFCOHVPZ-HNNXBMFYSA-N 1 3 322.457 0.426 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C(C)(C)C1 ZINC001382379143 967293314 /nfs/dbraw/zinc/29/33/14/967293314.db2.gz QYGJTQSVYAUBIY-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO COc1cc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001371878162 967414572 /nfs/dbraw/zinc/41/45/72/967414572.db2.gz JLFSMYUFLCVVGN-NEPJUHHUSA-N 1 3 310.398 0.619 20 0 DCADHO COc1cc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001371878162 967414577 /nfs/dbraw/zinc/41/45/77/967414577.db2.gz JLFSMYUFLCVVGN-NEPJUHHUSA-N 1 3 310.398 0.619 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001382538328 967477946 /nfs/dbraw/zinc/47/79/46/967477946.db2.gz WNYHGCSIWBMUCK-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001382538328 967477951 /nfs/dbraw/zinc/47/79/51/967477951.db2.gz WNYHGCSIWBMUCK-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1)N(C)C ZINC001382587920 967522487 /nfs/dbraw/zinc/52/24/87/967522487.db2.gz FLAUFWZLHSVSBH-RUXDESIVSA-N 1 3 308.430 0.197 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001372084793 967632980 /nfs/dbraw/zinc/63/29/80/967632980.db2.gz BOIZAGSZZXQVCX-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001430863052 1013769332 /nfs/dbraw/zinc/76/93/32/1013769332.db2.gz RKQNBJXPRUWNPG-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001430863052 1013769335 /nfs/dbraw/zinc/76/93/35/1013769335.db2.gz RKQNBJXPRUWNPG-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C)N(C)C ZINC001372729880 968302042 /nfs/dbraw/zinc/30/20/42/968302042.db2.gz RFYFFPDJYLQVAG-BFJAYTPKSA-N 1 3 324.469 0.097 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(CC(=O)NC)C2)CC[N@@H+]1C ZINC001373190920 968798262 /nfs/dbraw/zinc/79/82/62/968798262.db2.gz KJYVTVJVJZXQKF-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CCN(CC(=O)NC)C2)CC[N@H+]1C ZINC001373190920 968798265 /nfs/dbraw/zinc/79/82/65/968798265.db2.gz KJYVTVJVJZXQKF-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001373292694 968905550 /nfs/dbraw/zinc/90/55/50/968905550.db2.gz NDGFYNWWTSWAHY-ZNMIVQPWSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001373292694 968905562 /nfs/dbraw/zinc/90/55/62/968905562.db2.gz NDGFYNWWTSWAHY-ZNMIVQPWSA-N 1 3 315.458 0.114 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001373536787 969205101 /nfs/dbraw/zinc/20/51/01/969205101.db2.gz HRBZODLOWIGCOH-GJZGRUSLSA-N 1 3 309.454 0.803 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001448771578 1014033226 /nfs/dbraw/zinc/03/32/26/1014033226.db2.gz FTHJOHIZXNCUCF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3CCC[C@@H]3[NH3+])C2)nn1 ZINC001549124841 1014142628 /nfs/dbraw/zinc/14/26/28/1014142628.db2.gz WCXBARHQLCBSBS-BNOWGMLFSA-N 1 3 306.414 0.418 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+](CC)CC ZINC001449074584 1014168597 /nfs/dbraw/zinc/16/85/97/1014168597.db2.gz CINPHYDRWCCCSE-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549726669 1014426930 /nfs/dbraw/zinc/42/69/30/1014426930.db2.gz MPZMXQDONSPWSE-CYBMUJFWSA-N 1 3 315.377 0.713 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]([NH3+])[C@H](c2cn(C)cn2)C1 ZINC001549745888 1014440830 /nfs/dbraw/zinc/44/08/30/1014440830.db2.gz HLPAXVPXQSDZLS-RQJABVFESA-N 1 3 305.426 0.546 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCC[C@H]1C ZINC001449393240 1014454584 /nfs/dbraw/zinc/45/45/84/1014454584.db2.gz QCEWTOPPEVQEAT-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCC[C@H]1C ZINC001449393240 1014454590 /nfs/dbraw/zinc/45/45/90/1014454590.db2.gz QCEWTOPPEVQEAT-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2CC)C1 ZINC001449408544 1014464338 /nfs/dbraw/zinc/46/43/38/1014464338.db2.gz ZLBHPDLHYPPMBD-YMAMQOFZSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001550030518 1014530750 /nfs/dbraw/zinc/53/07/50/1014530750.db2.gz WGSQRYKDAKQZIU-JYJNAYRXSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001550030518 1014530755 /nfs/dbraw/zinc/53/07/55/1014530755.db2.gz WGSQRYKDAKQZIU-JYJNAYRXSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccc2c(c1)CNC2 ZINC001550086513 1014557364 /nfs/dbraw/zinc/55/73/64/1014557364.db2.gz HCBUZVIZTBETAD-OAHLLOKOSA-N 1 3 312.377 0.346 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC1 ZINC001550096605 1014564962 /nfs/dbraw/zinc/56/49/62/1014564962.db2.gz NGWOAZLRBXELQG-HNNXBMFYSA-N 1 3 320.441 0.631 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC001550096606 1014565627 /nfs/dbraw/zinc/56/56/27/1014565627.db2.gz NGWOAZLRBXELQG-OAHLLOKOSA-N 1 3 320.441 0.631 20 0 DCADHO C[C@H](CC(=O)N1CC[C@@H](n2cc(CN)nn2)C1)C1CC[NH2+]CC1 ZINC001550097549 1014567549 /nfs/dbraw/zinc/56/75/49/1014567549.db2.gz YHKGTRIRPTVQCA-IUODEOHRSA-N 1 3 320.441 0.536 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001449660709 1014617298 /nfs/dbraw/zinc/61/72/98/1014617298.db2.gz NWJUTTOTDNOXDO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001550194960 1014620496 /nfs/dbraw/zinc/62/04/96/1014620496.db2.gz SVFZANFQLJOHHN-BZUAXINKSA-N 1 3 324.469 0.758 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001550194960 1014620501 /nfs/dbraw/zinc/62/05/01/1014620501.db2.gz SVFZANFQLJOHHN-BZUAXINKSA-N 1 3 324.469 0.758 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001523249756 1014625365 /nfs/dbraw/zinc/62/53/65/1014625365.db2.gz CXHBTPBOEKXIKD-UHFFFAOYSA-N 1 3 321.425 0.320 20 0 DCADHO C[NH+](C)CCC(=O)NC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001523253553 1014627044 /nfs/dbraw/zinc/62/70/44/1014627044.db2.gz XPKYVNUHILXBHR-UHFFFAOYSA-N 1 3 307.398 0.011 20 0 DCADHO C[C@]12C[NH2+]C[C@@H]1CN(C(=O)NC[C@@H]1Cc3ccccc3CN1)C2 ZINC001550289944 1014653748 /nfs/dbraw/zinc/65/37/48/1014653748.db2.gz NXJJEJKWMZTDFK-SOLBZPMBSA-N 1 3 314.433 0.952 20 0 DCADHO CC(C)(C)[NH2+]CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550419121 1014702324 /nfs/dbraw/zinc/70/23/24/1014702324.db2.gz VKTDZPUGJOYIPG-UHFFFAOYSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)CN2CCCC2)CC[N@@H+]1C ZINC001523427142 1014704146 /nfs/dbraw/zinc/70/41/46/1014704146.db2.gz VXGDYRSITNBFHD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN(C)C(=O)CN2CCCC2)CC[N@H+]1C ZINC001523427142 1014704158 /nfs/dbraw/zinc/70/41/58/1014704158.db2.gz VXGDYRSITNBFHD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001530453415 1014756259 /nfs/dbraw/zinc/75/62/59/1014756259.db2.gz JOVXKMFTEXPBCU-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001530453415 1014756267 /nfs/dbraw/zinc/75/62/67/1014756267.db2.gz JOVXKMFTEXPBCU-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001530486178 1014769401 /nfs/dbraw/zinc/76/94/01/1014769401.db2.gz RHTVSGBOFGWHLD-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001530486180 1014770015 /nfs/dbraw/zinc/77/00/15/1014770015.db2.gz RHTVSGBOFGWHLD-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH3+])N(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC001550758963 1014850233 /nfs/dbraw/zinc/85/02/33/1014850233.db2.gz XFJFMCKFUIRYSA-OWCLPIDISA-N 1 3 318.421 0.459 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001551099136 1014966285 /nfs/dbraw/zinc/96/62/85/1014966285.db2.gz AOVQXSHBLYEWGX-BZUAXINKSA-N 1 3 309.454 0.918 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001551099136 1014966289 /nfs/dbraw/zinc/96/62/89/1014966289.db2.gz AOVQXSHBLYEWGX-BZUAXINKSA-N 1 3 309.454 0.918 20 0 DCADHO C[NH2+]CCN(C)C(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551495728 1015117164 /nfs/dbraw/zinc/11/71/64/1015117164.db2.gz DYCLTFXFXDGRSI-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001384116893 985373290 /nfs/dbraw/zinc/37/32/90/985373290.db2.gz BDBYHZMBMKXOKI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN1[C@H]2CN(C(=O)NC3CCC4(C[C@H]4[NH3+])CC3)C[C@H]2C[C@H]1CO ZINC001551557141 1015136465 /nfs/dbraw/zinc/13/64/65/1015136465.db2.gz DPLHAAUNVYHONA-BTMSKJOHSA-N 1 3 322.453 0.353 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001384397476 985549740 /nfs/dbraw/zinc/54/97/40/985549740.db2.gz DPPCLRHSIGHBSX-ZIAGYGMSSA-N 1 3 312.458 0.338 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385258003 986192398 /nfs/dbraw/zinc/19/23/98/986192398.db2.gz ABGBDBSRZYNCOK-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001385779438 986590102 /nfs/dbraw/zinc/59/01/02/986590102.db2.gz TXJUMRHGOKXYTH-CQSZACIVSA-N 1 3 321.425 0.223 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001386018310 986757028 /nfs/dbraw/zinc/75/70/28/986757028.db2.gz XINLSXMXNPMKKI-GASCZTMLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386020156 986758784 /nfs/dbraw/zinc/75/87/84/986758784.db2.gz AYEDERFWFZROPJ-APIJFGDWSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386020156 986758790 /nfs/dbraw/zinc/75/87/90/986758790.db2.gz AYEDERFWFZROPJ-APIJFGDWSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001386116170 986845346 /nfs/dbraw/zinc/84/53/46/986845346.db2.gz YTUBCJXKQHGDKG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001386116170 986845359 /nfs/dbraw/zinc/84/53/59/986845359.db2.gz YTUBCJXKQHGDKG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001386397607 987124391 /nfs/dbraw/zinc/12/43/91/987124391.db2.gz JDSJVZLWNXKUJE-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001386397607 987124392 /nfs/dbraw/zinc/12/43/92/987124392.db2.gz JDSJVZLWNXKUJE-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CCCN2C)cnn1C ZINC001552169164 1015304184 /nfs/dbraw/zinc/30/41/84/1015304184.db2.gz YFCWRJXSVNNVDN-QEJZJMRPSA-N 1 3 305.426 0.242 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2)c1ccccc1 ZINC001552198676 1015317411 /nfs/dbraw/zinc/31/74/11/1015317411.db2.gz WQFCUGOTQQKXJM-ZMSDIMECSA-N 1 3 303.406 0.642 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)CNC(=O)C1(N(C)C)CCC1 ZINC001532238339 1015318856 /nfs/dbraw/zinc/31/88/56/1015318856.db2.gz XXBJFSXNOZCRPE-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)CNC(=O)C1(N(C)C)CCC1 ZINC001532238339 1015318864 /nfs/dbraw/zinc/31/88/64/1015318864.db2.gz XXBJFSXNOZCRPE-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001387741472 988107279 /nfs/dbraw/zinc/10/72/79/988107279.db2.gz MTNWPCDJGBOIEW-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001387861627 988228504 /nfs/dbraw/zinc/22/85/04/988228504.db2.gz IHHNNBZFVXDCAR-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001388789257 988596140 /nfs/dbraw/zinc/59/61/40/988596140.db2.gz FBQSBQOKOHIBEH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001388791771 988596254 /nfs/dbraw/zinc/59/62/54/988596254.db2.gz HFSXLCXDGBHOPY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001388791771 988596258 /nfs/dbraw/zinc/59/62/58/988596258.db2.gz HFSXLCXDGBHOPY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCCN3C)C[C@H]2[NH3+])cn1 ZINC001552352841 1015402788 /nfs/dbraw/zinc/40/27/88/1015402788.db2.gz WORFFFAJKPPGNH-QLFBSQMISA-N 1 3 320.441 0.341 20 0 DCADHO C[C@@H](N[C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001388812181 988609915 /nfs/dbraw/zinc/60/99/15/988609915.db2.gz SFAHWPSGDVTYHD-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001389305332 989092895 /nfs/dbraw/zinc/09/28/95/989092895.db2.gz YYXDHTVRKZBCSK-UHFFFAOYSA-N 1 3 322.453 0.282 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001389316692 989109711 /nfs/dbraw/zinc/10/97/11/989109711.db2.gz WZOFEMFLUGAPIQ-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001389316692 989109718 /nfs/dbraw/zinc/10/97/18/989109718.db2.gz WZOFEMFLUGAPIQ-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001389651122 989463515 /nfs/dbraw/zinc/46/35/15/989463515.db2.gz AVFYRCYXTCQNBQ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001389810004 989602271 /nfs/dbraw/zinc/60/22/71/989602271.db2.gz ZTGALQGZFWWDJV-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO [NH3+][C@H]1CCO[C@H]1C1CCN(Cc2cnn3c2CNCC3)CC1 ZINC001552687557 1015490507 /nfs/dbraw/zinc/49/05/07/1015490507.db2.gz RSQZIYPZALJJGN-HOCLYGCPSA-N 1 3 305.426 0.315 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001389958645 989710658 /nfs/dbraw/zinc/71/06/58/989710658.db2.gz LJHLGNJKQVWAQK-MJBXVCDLSA-N 1 3 322.453 0.328 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001389975693 989722956 /nfs/dbraw/zinc/72/29/56/989722956.db2.gz RNBYTFBTVNFVKR-BARDWOONSA-N 1 3 313.442 0.103 20 0 DCADHO C[C@@H]([NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001390270804 989949430 /nfs/dbraw/zinc/94/94/30/989949430.db2.gz IEOCATAZHNBPEZ-PNESKVBLSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]C[C@H]1CCc2ncnn21 ZINC001390399891 990060302 /nfs/dbraw/zinc/06/03/02/990060302.db2.gz LNXJIMNXNKPCKB-TZMCWYRMSA-N 1 3 320.441 0.344 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001451057527 1015564307 /nfs/dbraw/zinc/56/43/07/1015564307.db2.gz UBMJGQXNFVGOPC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001451057527 1015564315 /nfs/dbraw/zinc/56/43/15/1015564315.db2.gz UBMJGQXNFVGOPC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001552956675 1015575102 /nfs/dbraw/zinc/57/51/02/1015575102.db2.gz UKKWVNNEEZHBLK-KGLIPLIRSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001552956675 1015575112 /nfs/dbraw/zinc/57/51/12/1015575112.db2.gz UKKWVNNEEZHBLK-KGLIPLIRSA-N 1 3 321.429 0.178 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001391199986 990662417 /nfs/dbraw/zinc/66/24/17/990662417.db2.gz IGSJTLCDDZQPCP-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001391199986 990662421 /nfs/dbraw/zinc/66/24/21/990662421.db2.gz IGSJTLCDDZQPCP-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO CN(CC(=O)N1CCC1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001391366451 990783059 /nfs/dbraw/zinc/78/30/59/990783059.db2.gz FVQGJFYTZLFEST-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(CCCF)C2)CC1 ZINC001391592261 990992898 /nfs/dbraw/zinc/99/28/98/990992898.db2.gz KIUHRBUDHZWMKD-CYBMUJFWSA-N 1 3 301.406 0.647 20 0 DCADHO COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391625220 991031870 /nfs/dbraw/zinc/03/18/70/991031870.db2.gz VDRWIRQYANCNAB-QLFBSQMISA-N 1 3 315.458 0.113 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001391698892 991109401 /nfs/dbraw/zinc/10/94/01/991109401.db2.gz UXFREWCXALBIGA-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCCN(C)C1=O ZINC001391750915 991157118 /nfs/dbraw/zinc/15/71/18/991157118.db2.gz GMYUSOPKLSTVOP-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001391920963 991292477 /nfs/dbraw/zinc/29/24/77/991292477.db2.gz NPFDLQYUMZAKGP-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001391952789 991323230 /nfs/dbraw/zinc/32/32/30/991323230.db2.gz SRWJCEPFFAGXQC-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392070276 991460998 /nfs/dbraw/zinc/46/09/98/991460998.db2.gz FXVILPHTZLVWIE-STQMWFEESA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001392075782 991468214 /nfs/dbraw/zinc/46/82/14/991468214.db2.gz MSSJDXMKXYZBBP-HIFRSBDPSA-N 1 3 314.474 0.534 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(=O)N(C)C ZINC001392197258 991600133 /nfs/dbraw/zinc/60/01/33/991600133.db2.gz OGWMDZOQAJIXSO-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cnn(C)c1 ZINC001392246755 991652440 /nfs/dbraw/zinc/65/24/40/991652440.db2.gz AQFGAHJEPHJTGN-OAHLLOKOSA-N 1 3 309.458 0.991 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392426499 991914931 /nfs/dbraw/zinc/91/49/31/991914931.db2.gz YWARZEJWBBVZJJ-ZBFHGGJFSA-N 1 3 322.453 0.543 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392474769 991976153 /nfs/dbraw/zinc/97/61/53/991976153.db2.gz DGYRQFUFMNMRKF-UMVBOHGHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392474769 991976162 /nfs/dbraw/zinc/97/61/62/991976162.db2.gz DGYRQFUFMNMRKF-UMVBOHGHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN(C)C1CCC1 ZINC001392479150 991983513 /nfs/dbraw/zinc/98/35/13/991983513.db2.gz BFVGXIYQIKYPMD-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccnn1C ZINC001392480090 991984828 /nfs/dbraw/zinc/98/48/28/991984828.db2.gz MPXZZEUHMJNMLP-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccnn1C ZINC001392480090 991984833 /nfs/dbraw/zinc/98/48/33/991984833.db2.gz MPXZZEUHMJNMLP-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001392564725 992102073 /nfs/dbraw/zinc/10/20/73/992102073.db2.gz MHFPFGKOLFVTIK-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001392564725 992102080 /nfs/dbraw/zinc/10/20/80/992102080.db2.gz MHFPFGKOLFVTIK-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001392564952 992102491 /nfs/dbraw/zinc/10/24/91/992102491.db2.gz VBKDSECRMWULSK-UONOGXRCSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001392564952 992102496 /nfs/dbraw/zinc/10/24/96/992102496.db2.gz VBKDSECRMWULSK-UONOGXRCSA-N 1 3 312.458 0.478 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001392617630 992165268 /nfs/dbraw/zinc/16/52/68/992165268.db2.gz JULKWLMWOUJMNH-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)N1CCCCC1)C1CC1 ZINC001392788142 992395507 /nfs/dbraw/zinc/39/55/07/992395507.db2.gz JLVKOWXPALVCEB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001392788941 992398603 /nfs/dbraw/zinc/39/86/03/992398603.db2.gz NZHMLOJDVRXBDM-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001393080246 992668983 /nfs/dbraw/zinc/66/89/83/992668983.db2.gz DDPWGQRLWOEQJP-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393389380 992937016 /nfs/dbraw/zinc/93/70/16/992937016.db2.gz KGZSQASTFMWVIU-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CNC2(CNC(=O)C3(C[NH+](C)C)CC3)CCC2)n[nH]1 ZINC001393560325 993083494 /nfs/dbraw/zinc/08/34/94/993083494.db2.gz NCHJIWSKMQFBGL-UHFFFAOYSA-N 1 3 320.441 0.583 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001393563691 993086481 /nfs/dbraw/zinc/08/64/81/993086481.db2.gz XPNDRIRUBVGCKT-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001393563691 993086487 /nfs/dbraw/zinc/08/64/87/993086487.db2.gz XPNDRIRUBVGCKT-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001393587818 993107857 /nfs/dbraw/zinc/10/78/57/993107857.db2.gz TWBGXORIJGMQTF-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CN(CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001393650130 993156979 /nfs/dbraw/zinc/15/69/79/993156979.db2.gz ZVZSQKBTHOTIAN-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001393650130 993156984 /nfs/dbraw/zinc/15/69/84/993156984.db2.gz ZVZSQKBTHOTIAN-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001394132864 993503222 /nfs/dbraw/zinc/50/32/22/993503222.db2.gz DCCZIXZYFJALPX-HZPDHXFCSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001394132864 993503227 /nfs/dbraw/zinc/50/32/27/993503227.db2.gz DCCZIXZYFJALPX-HZPDHXFCSA-N 1 3 321.469 0.888 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NC1CC1 ZINC001394507968 993781290 /nfs/dbraw/zinc/78/12/90/993781290.db2.gz VVCPAEBFJJVRTI-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NC1CC1 ZINC001394507959 993781325 /nfs/dbraw/zinc/78/13/25/993781325.db2.gz VVCPAEBFJJVRTI-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001394545738 993818476 /nfs/dbraw/zinc/81/84/76/993818476.db2.gz XBEWDGDVEWPQSD-HIFRSBDPSA-N 1 3 314.474 0.487 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CCC[NH+]1CCCC1 ZINC001394667020 993993817 /nfs/dbraw/zinc/99/38/17/993993817.db2.gz HHHDWYRFHFJUFI-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001394666747 993995424 /nfs/dbraw/zinc/99/54/24/993995424.db2.gz FTIQJBDIIHSZJT-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC(N)=O)CC1)N(C)C ZINC001400083711 994143713 /nfs/dbraw/zinc/14/37/13/994143713.db2.gz FOWSTNOWYAGHOP-DOMZBBRYSA-N 1 3 312.458 0.275 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001400151947 994204980 /nfs/dbraw/zinc/20/49/80/994204980.db2.gz QWQYVIWGEHHIGH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001400151947 994204987 /nfs/dbraw/zinc/20/49/87/994204987.db2.gz QWQYVIWGEHHIGH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001394855827 994219702 /nfs/dbraw/zinc/21/97/02/994219702.db2.gz QPIRQENGMMAKEN-HSBZDZAISA-N 1 3 310.442 0.043 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001400197792 994267240 /nfs/dbraw/zinc/26/72/40/994267240.db2.gz BRRUAQNXWJJSIZ-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001400488977 994577114 /nfs/dbraw/zinc/57/71/14/994577114.db2.gz XZWPEEBWXNGUBJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001400488977 994577124 /nfs/dbraw/zinc/57/71/24/994577124.db2.gz XZWPEEBWXNGUBJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNCC1(NC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001400969808 995094885 /nfs/dbraw/zinc/09/48/85/995094885.db2.gz KTUJCZGXTPLNRZ-UHFFFAOYSA-N 1 3 324.469 0.627 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001401088741 995164313 /nfs/dbraw/zinc/16/43/13/995164313.db2.gz MKXPWFSBEFSFRN-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)CCCS(=O)(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001464587712 1015925762 /nfs/dbraw/zinc/92/57/62/1015925762.db2.gz KLOCAAWTYLXGML-QWHCGFSZSA-N 1 3 303.472 0.730 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001502518579 1015951408 /nfs/dbraw/zinc/95/14/08/1015951408.db2.gz XKATWFMQCDYKHC-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001396757931 995591146 /nfs/dbraw/zinc/59/11/46/995591146.db2.gz CVCVYYLSUZCPME-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001396757931 995591153 /nfs/dbraw/zinc/59/11/53/995591153.db2.gz CVCVYYLSUZCPME-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001397161906 995833879 /nfs/dbraw/zinc/83/38/79/995833879.db2.gz SKWJVSDOVQFPFN-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001397257521 995891040 /nfs/dbraw/zinc/89/10/40/995891040.db2.gz PKWTUBUPFMEZKA-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001397257521 995891042 /nfs/dbraw/zinc/89/10/42/995891042.db2.gz PKWTUBUPFMEZKA-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001397630154 996106140 /nfs/dbraw/zinc/10/61/40/996106140.db2.gz OUNBPFNFTXUFKG-IVMMDQJWSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O)CC1 ZINC001507144143 1016027879 /nfs/dbraw/zinc/02/78/79/1016027879.db2.gz XNFOZQNFMDCYLS-QWHCGFSZSA-N 1 3 312.458 0.417 20 0 DCADHO Cn1cc(CCN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001398334078 996474909 /nfs/dbraw/zinc/47/49/09/996474909.db2.gz ROVADIMJRAGZRR-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001398440256 996517290 /nfs/dbraw/zinc/51/72/90/996517290.db2.gz YHYRVEMQYYFTNE-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001398440256 996517295 /nfs/dbraw/zinc/51/72/95/996517295.db2.gz YHYRVEMQYYFTNE-KBPBESRZSA-N 1 3 310.442 0.078 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccnn1C)C1CC1)N(C)C ZINC001398448211 996520941 /nfs/dbraw/zinc/52/09/41/996520941.db2.gz HCWCCRZIUPXVNQ-CABCVRRESA-N 1 3 307.442 0.745 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001398457251 996526235 /nfs/dbraw/zinc/52/62/35/996526235.db2.gz NMRJYJKSDGDECK-CVEARBPZSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001398457251 996526239 /nfs/dbraw/zinc/52/62/39/996526239.db2.gz NMRJYJKSDGDECK-CVEARBPZSA-N 1 3 317.437 0.721 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001398556062 996570738 /nfs/dbraw/zinc/57/07/38/996570738.db2.gz PSLPXJZWYQMMIN-HDJSIYSDSA-N 1 3 322.457 0.685 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001398578552 996583913 /nfs/dbraw/zinc/58/39/13/996583913.db2.gz QEONLEDVQTWXFR-MGPQQGTHSA-N 1 3 312.458 0.478 20 0 DCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C)C1CC1 ZINC001502738248 1016049528 /nfs/dbraw/zinc/04/95/28/1016049528.db2.gz LBXYMHAIRBBUEU-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCCC1=O ZINC001398915932 996747054 /nfs/dbraw/zinc/74/70/54/996747054.db2.gz GXNGQQQBIQTBQU-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](N[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001398969850 996783341 /nfs/dbraw/zinc/78/33/41/996783341.db2.gz GZZUCPCLMDRCCS-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001399021474 996841180 /nfs/dbraw/zinc/84/11/80/996841180.db2.gz DLMQZHAROPKCTC-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001399021474 996841196 /nfs/dbraw/zinc/84/11/96/996841196.db2.gz DLMQZHAROPKCTC-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cncn1C ZINC001399024000 996851716 /nfs/dbraw/zinc/85/17/16/996851716.db2.gz HAJWRAWCKZPDRT-RDBSUJKOSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cncn1C ZINC001399024000 996851728 /nfs/dbraw/zinc/85/17/28/996851728.db2.gz HAJWRAWCKZPDRT-RDBSUJKOSA-N 1 3 307.442 0.745 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001399154490 997030788 /nfs/dbraw/zinc/03/07/88/997030788.db2.gz FLTJQTOFTWWCSR-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001399189425 997072447 /nfs/dbraw/zinc/07/24/47/997072447.db2.gz SDYXCOWOYJVZPA-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C(=O)CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001404512661 997190044 /nfs/dbraw/zinc/19/00/44/997190044.db2.gz JRKJTRQPHUJCPS-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001404958041 997623315 /nfs/dbraw/zinc/62/33/15/997623315.db2.gz IOODFTYNVSMQBL-CQSZACIVSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)CN1CCCC1 ZINC001405491781 998273406 /nfs/dbraw/zinc/27/34/06/998273406.db2.gz RTYSXGVMYJJIHL-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001405526421 998299780 /nfs/dbraw/zinc/29/97/80/998299780.db2.gz RJLQNCGVEDBTNI-AJNGGQMLSA-N 1 3 315.458 0.351 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCOCC2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001507290081 1016221056 /nfs/dbraw/zinc/22/10/56/1016221056.db2.gz WCAVDAVUXLQNSB-SWLSCSKDSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)CN1CCCC1 ZINC001507296180 1016224795 /nfs/dbraw/zinc/22/47/95/1016224795.db2.gz RETZNTRWMKREKG-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1C[C@H](NCc2ccnn2C)CN1C(=O)CCC[NH+](C)C ZINC001507319921 1016250251 /nfs/dbraw/zinc/25/02/51/1016250251.db2.gz LMNZXMLTBUYMAP-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COCC(F)(F)F ZINC001418427807 1000211837 /nfs/dbraw/zinc/21/18/37/1000211837.db2.gz WQLSPOYALKCLOF-NSHDSACASA-N 1 3 313.364 0.954 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COCC(F)(F)F ZINC001418427807 1000211832 /nfs/dbraw/zinc/21/18/32/1000211832.db2.gz WQLSPOYALKCLOF-NSHDSACASA-N 1 3 313.364 0.954 20 0 DCADHO COc1ccc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001418433798 1000215843 /nfs/dbraw/zinc/21/58/43/1000215843.db2.gz XAZYKTWIEOXZNR-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001418433798 1000215850 /nfs/dbraw/zinc/21/58/50/1000215850.db2.gz XAZYKTWIEOXZNR-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001401155530 1000235653 /nfs/dbraw/zinc/23/56/53/1000235653.db2.gz QZZQTYLPSFCQJR-KBPBESRZSA-N 1 3 322.457 0.448 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)CCc2cnn(C)c2)CCC1 ZINC001418465773 1000252231 /nfs/dbraw/zinc/25/22/31/1000252231.db2.gz UMYVNIFEEZZFNY-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)CCc2cnn(C)c2)CCC1 ZINC001418465773 1000252235 /nfs/dbraw/zinc/25/22/35/1000252235.db2.gz UMYVNIFEEZZFNY-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001401236973 1000299036 /nfs/dbraw/zinc/29/90/36/1000299036.db2.gz IFMLSUGBIXKBDW-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C[C@H](O)COC)CC[N@@H+]1C ZINC001401366180 1000382315 /nfs/dbraw/zinc/38/23/15/1000382315.db2.gz MXQBWODBGPAHRH-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C[C@H](O)COC)CC[N@H+]1C ZINC001401366180 1000382323 /nfs/dbraw/zinc/38/23/23/1000382323.db2.gz MXQBWODBGPAHRH-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418635573 1000411606 /nfs/dbraw/zinc/41/16/06/1000411606.db2.gz SGOJOYKOYLUBQX-UPJWGTAASA-N 1 3 310.442 0.090 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nncn1C ZINC001401507982 1000461509 /nfs/dbraw/zinc/46/15/09/1000461509.db2.gz YWQZGTCGNBAFRK-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1nncn1C ZINC001401507982 1000461510 /nfs/dbraw/zinc/46/15/10/1000461510.db2.gz YWQZGTCGNBAFRK-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1nncn1C ZINC001401507972 1000461882 /nfs/dbraw/zinc/46/18/82/1000461882.db2.gz YWQZGTCGNBAFRK-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1nncn1C ZINC001401507972 1000461887 /nfs/dbraw/zinc/46/18/87/1000461887.db2.gz YWQZGTCGNBAFRK-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418716261 1000470460 /nfs/dbraw/zinc/47/04/60/1000470460.db2.gz UWCSNFCIFWTOOJ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001418732824 1000480447 /nfs/dbraw/zinc/48/04/47/1000480447.db2.gz LICHQJQBVMPCBD-ILXRZTDVSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001418732824 1000480450 /nfs/dbraw/zinc/48/04/50/1000480450.db2.gz LICHQJQBVMPCBD-ILXRZTDVSA-N 1 3 324.469 0.561 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCCC1 ZINC001418746484 1000489512 /nfs/dbraw/zinc/48/95/12/1000489512.db2.gz YSLBJIHOPYEINT-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001401593829 1000528312 /nfs/dbraw/zinc/52/83/12/1000528312.db2.gz BSHLSLXHLURHAV-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001401600018 1000534801 /nfs/dbraw/zinc/53/48/01/1000534801.db2.gz JQUGMOAHRSQFCH-STQMWFEESA-N 1 3 320.437 0.720 20 0 DCADHO CCN(CCN[C@@H]1CCN(C(C)C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401604019 1000539428 /nfs/dbraw/zinc/53/94/28/1000539428.db2.gz ACVCPGGZPICAGK-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@@H]1CCN(C(C)C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401604019 1000539434 /nfs/dbraw/zinc/53/94/34/1000539434.db2.gz ACVCPGGZPICAGK-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCN(C)C(=O)CC[NH+](C)C ZINC001418825643 1000553097 /nfs/dbraw/zinc/55/30/97/1000553097.db2.gz IYTGYLBMTQJSCV-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001401636318 1000574835 /nfs/dbraw/zinc/57/48/35/1000574835.db2.gz BNYBNDNHMXAJSS-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401641881 1000581822 /nfs/dbraw/zinc/58/18/22/1000581822.db2.gz XJJQJHICQCOIDY-RDBSUJKOSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401641881 1000581830 /nfs/dbraw/zinc/58/18/30/1000581830.db2.gz XJJQJHICQCOIDY-RDBSUJKOSA-N 1 3 310.442 0.043 20 0 DCADHO CCc1nc([C@H](C)NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001401650397 1000589686 /nfs/dbraw/zinc/58/96/86/1000589686.db2.gz ARERZDTTXIWOSD-NEPJUHHUSA-N 1 3 320.441 0.618 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001401695180 1000634590 /nfs/dbraw/zinc/63/45/90/1000634590.db2.gz RBGGRQQNZDTVAR-NWDGAFQWSA-N 1 3 300.447 0.336 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401716169 1000653838 /nfs/dbraw/zinc/65/38/38/1000653838.db2.gz FVCASNAQAATDTG-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1ncnn1C ZINC001401863372 1000798631 /nfs/dbraw/zinc/79/86/31/1000798631.db2.gz GKOJNMJVZUEQKM-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001419237257 1000904026 /nfs/dbraw/zinc/90/40/26/1000904026.db2.gz CSLZLIQBHWHCTQ-GDBMZVCRSA-N 1 3 321.469 0.789 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001419237270 1000904293 /nfs/dbraw/zinc/90/42/93/1000904293.db2.gz CSLZLIQBHWHCTQ-ZBFHGGJFSA-N 1 3 321.469 0.789 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001401989722 1000931959 /nfs/dbraw/zinc/93/19/59/1000931959.db2.gz RICJEJACEWECJE-MRXNPFEDSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001401989722 1000931967 /nfs/dbraw/zinc/93/19/67/1000931967.db2.gz RICJEJACEWECJE-MRXNPFEDSA-N 1 3 311.470 0.879 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001419290061 1000950192 /nfs/dbraw/zinc/95/01/92/1000950192.db2.gz TYUCYTZVYAFIPX-OAHLLOKOSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]([NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001419346572 1000991496 /nfs/dbraw/zinc/99/14/96/1000991496.db2.gz WFLOZJKOVMZUJI-BDJLRTHQSA-N 1 3 310.442 0.219 20 0 DCADHO CCCC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001402084890 1001003779 /nfs/dbraw/zinc/00/37/79/1001003779.db2.gz YUAJOXHEVVMEHZ-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001419421012 1001037533 /nfs/dbraw/zinc/03/75/33/1001037533.db2.gz CAAIWFJLRPLHQN-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001419421012 1001037536 /nfs/dbraw/zinc/03/75/36/1001037536.db2.gz CAAIWFJLRPLHQN-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419423372 1001038498 /nfs/dbraw/zinc/03/84/98/1001038498.db2.gz POLHUMQYPUKTSL-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419423372 1001038502 /nfs/dbraw/zinc/03/85/02/1001038502.db2.gz POLHUMQYPUKTSL-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001419426333 1001041425 /nfs/dbraw/zinc/04/14/25/1001041425.db2.gz KYNFJANMSFFLNY-YDHLFZDLSA-N 1 3 307.442 0.540 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccnn1C)N(C)C ZINC001419534141 1001121484 /nfs/dbraw/zinc/12/14/84/1001121484.db2.gz XIUQQMKYQWVXBG-UKRRQHHQSA-N 1 3 309.458 0.848 20 0 DCADHO Cc1oncc1CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402257859 1001143941 /nfs/dbraw/zinc/14/39/41/1001143941.db2.gz IHFVIERZZNPSJD-GDBMZVCRSA-N 1 3 322.409 0.130 20 0 DCADHO Cc1oncc1CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402257859 1001143951 /nfs/dbraw/zinc/14/39/51/1001143951.db2.gz IHFVIERZZNPSJD-GDBMZVCRSA-N 1 3 322.409 0.130 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC001402270340 1001160357 /nfs/dbraw/zinc/16/03/57/1001160357.db2.gz VIYJOYUXMVAOID-NVXWUHKLSA-N 1 3 318.421 0.229 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001402270340 1001160360 /nfs/dbraw/zinc/16/03/60/1001160360.db2.gz VIYJOYUXMVAOID-NVXWUHKLSA-N 1 3 318.421 0.229 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001419659169 1001202902 /nfs/dbraw/zinc/20/29/02/1001202902.db2.gz YRTDVFXCZBFGQA-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001419678748 1001216976 /nfs/dbraw/zinc/21/69/76/1001216976.db2.gz WQPHWBSGXACOJH-DMDPSCGWSA-N 1 3 308.430 0.390 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001419678748 1001216984 /nfs/dbraw/zinc/21/69/84/1001216984.db2.gz WQPHWBSGXACOJH-DMDPSCGWSA-N 1 3 308.430 0.390 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001419679409 1001217367 /nfs/dbraw/zinc/21/73/67/1001217367.db2.gz GQTUJFXOLUYWES-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001419730730 1001259175 /nfs/dbraw/zinc/25/91/75/1001259175.db2.gz DCICLWBZNQQEIP-UONOGXRCSA-N 1 3 308.430 0.245 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCn1cncn1)C1CC1 ZINC001402384357 1001270082 /nfs/dbraw/zinc/27/00/82/1001270082.db2.gz YPEJUCQIWXWWFB-AWEZNQCLSA-N 1 3 317.397 0.037 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCn2cncn2)C1 ZINC001402420960 1001292405 /nfs/dbraw/zinc/29/24/05/1001292405.db2.gz XIYOVMLMIYACRR-HUUCEWRRSA-N 1 3 322.457 0.445 20 0 DCADHO CN(CC1CC1)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402461672 1001333093 /nfs/dbraw/zinc/33/30/93/1001333093.db2.gz LSTMOICKSKPCEK-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCCC[C@H]1C ZINC001419828088 1001339154 /nfs/dbraw/zinc/33/91/54/1001339154.db2.gz BRRUOQWSGFRBQS-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001402551803 1001403509 /nfs/dbraw/zinc/40/35/09/1001403509.db2.gz OWUPQOPSIPTFLW-RBSFLKMASA-N 1 3 324.469 0.622 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001419913590 1001403864 /nfs/dbraw/zinc/40/38/64/1001403864.db2.gz ZUGHBJDMDVICON-CYBMUJFWSA-N 1 3 314.474 0.441 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001419927423 1001411297 /nfs/dbraw/zinc/41/12/97/1001411297.db2.gz AAQDQMUOUGIVPC-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO COC[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001402640662 1001455719 /nfs/dbraw/zinc/45/57/19/1001455719.db2.gz BYIXCJXHDBNWEX-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001402640662 1001455722 /nfs/dbraw/zinc/45/57/22/1001455722.db2.gz BYIXCJXHDBNWEX-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001402723550 1001481727 /nfs/dbraw/zinc/48/17/27/1001481727.db2.gz STUAXUXIWYPBRI-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1NCC(N)=O ZINC001402776357 1001497917 /nfs/dbraw/zinc/49/79/17/1001497917.db2.gz VHSGFMZSAGNMML-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001402794522 1001505204 /nfs/dbraw/zinc/50/52/04/1001505204.db2.gz QCKFMMNQBOUJPV-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cccn1 ZINC001402897379 1001563972 /nfs/dbraw/zinc/56/39/72/1001563972.db2.gz YRLZEKXBBYQGIY-CABCVRRESA-N 1 3 307.442 0.850 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001402909772 1001571618 /nfs/dbraw/zinc/57/16/18/1001571618.db2.gz JPZKSAXHSYCMLB-DOMZBBRYSA-N 1 3 309.458 0.909 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001402985117 1001618059 /nfs/dbraw/zinc/61/80/59/1001618059.db2.gz BDBYSUKQCNMVOL-SWLSCSKDSA-N 1 3 307.442 0.966 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001419976080 1001738640 /nfs/dbraw/zinc/73/86/40/1001738640.db2.gz SWBXHWYKNSLLFK-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001403238859 1001756155 /nfs/dbraw/zinc/75/61/55/1001756155.db2.gz DSCHJZPPLQKEDT-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CN(C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001403273779 1001773889 /nfs/dbraw/zinc/77/38/89/1001773889.db2.gz XZXLTXNUTFRXDL-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001403297108 1001789259 /nfs/dbraw/zinc/78/92/59/1001789259.db2.gz YBCFLYKQKLUTHD-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001420087734 1001830988 /nfs/dbraw/zinc/83/09/88/1001830988.db2.gz NOOLFISBQRSWJU-JSGCOSHPSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001420087738 1001831977 /nfs/dbraw/zinc/83/19/77/1001831977.db2.gz NOOLFISBQRSWJU-OCCSQVGLSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001424632287 1001863140 /nfs/dbraw/zinc/86/31/40/1001863140.db2.gz ONYKVHISHAHKAT-QKDCVEJESA-N 1 3 324.469 0.099 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C)C(N)=O ZINC001424669558 1001902774 /nfs/dbraw/zinc/90/27/74/1001902774.db2.gz CDKNPORTCFBJAK-IHRRRGAJSA-N 1 3 312.458 0.561 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001420143924 1001935055 /nfs/dbraw/zinc/93/50/55/1001935055.db2.gz RIEHWPVJXAEYIR-OAHLLOKOSA-N 1 3 323.412 0.877 20 0 DCADHO C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)NCc1ccn(C)n1 ZINC001403440855 1001965651 /nfs/dbraw/zinc/96/56/51/1001965651.db2.gz XZOMHFWTPSIHRA-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420195550 1002016194 /nfs/dbraw/zinc/01/61/94/1002016194.db2.gz PFHYCADTUIBHON-CABCVRRESA-N 1 3 320.437 0.299 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420195550 1002016202 /nfs/dbraw/zinc/01/62/02/1002016202.db2.gz PFHYCADTUIBHON-CABCVRRESA-N 1 3 320.437 0.299 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001403547458 1002117425 /nfs/dbraw/zinc/11/74/25/1002117425.db2.gz DHDBWLMXFAPVML-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001403547458 1002117432 /nfs/dbraw/zinc/11/74/32/1002117432.db2.gz DHDBWLMXFAPVML-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O)N(C)C ZINC001424890067 1002120835 /nfs/dbraw/zinc/12/08/35/1002120835.db2.gz NUSHPUREXYBIEV-CHWSQXEVSA-N 1 3 314.474 0.521 20 0 DCADHO C[C@H](NC[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001403556849 1002137808 /nfs/dbraw/zinc/13/78/08/1002137808.db2.gz TVOYZRNUYSQSHE-AAEUAGOBSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403561621 1002143905 /nfs/dbraw/zinc/14/39/05/1002143905.db2.gz PCOOUPNFDGZDGL-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@H]2C[C@]23CCOC3)CCC1 ZINC001403573669 1002159769 /nfs/dbraw/zinc/15/97/69/1002159769.db2.gz FKZQJHQJWHLZIH-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@H]2C[C@]23CCOC3)CCC1 ZINC001403573669 1002159779 /nfs/dbraw/zinc/15/97/79/1002159779.db2.gz FKZQJHQJWHLZIH-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001420341804 1002251734 /nfs/dbraw/zinc/25/17/34/1002251734.db2.gz VXUHGTOSLNVAJM-UMVBOHGHSA-N 1 3 322.457 0.446 20 0 DCADHO CC[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)C(N)=O ZINC001505837664 1016602082 /nfs/dbraw/zinc/60/20/82/1016602082.db2.gz XOFGTTARJWBBLF-GFCCVEGCSA-N 1 3 309.414 0.290 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N2CCCC2)CN1C(=O)CCC[NH+](C)C ZINC001403742205 1002453182 /nfs/dbraw/zinc/45/31/82/1002453182.db2.gz LKILLPHEIBSHQZ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420467042 1002460712 /nfs/dbraw/zinc/46/07/12/1002460712.db2.gz FSHPNGMQVJLCLI-STQMWFEESA-N 1 3 322.457 0.543 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420467042 1002460720 /nfs/dbraw/zinc/46/07/20/1002460720.db2.gz FSHPNGMQVJLCLI-STQMWFEESA-N 1 3 322.457 0.543 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001420474165 1002472610 /nfs/dbraw/zinc/47/26/10/1002472610.db2.gz AAHKFBLCRBABLA-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001403782657 1002516224 /nfs/dbraw/zinc/51/62/24/1002516224.db2.gz ZTXQWRZJRLGQGA-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001403793226 1002529843 /nfs/dbraw/zinc/52/98/43/1002529843.db2.gz UCNGSKKPIGGNDP-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccnc1C)N(C)C ZINC001403878804 1002667342 /nfs/dbraw/zinc/66/73/42/1002667342.db2.gz IVKMDUOBHZYGPL-HOTGVXAUSA-N 1 3 322.453 0.639 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)CCn1cccn1)[NH+](C)C ZINC001420596420 1002668597 /nfs/dbraw/zinc/66/85/97/1002668597.db2.gz IDHXGILJBXSKCJ-GJZGRUSLSA-N 1 3 309.458 0.906 20 0 DCADHO C[C@H](C(=O)N(C)C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001425432159 1002670284 /nfs/dbraw/zinc/67/02/84/1002670284.db2.gz GTEPDGSNYXFCOA-ZIAGYGMSSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](C(=O)N(C)C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001425432159 1002670289 /nfs/dbraw/zinc/67/02/89/1002670289.db2.gz GTEPDGSNYXFCOA-ZIAGYGMSSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H](C)C(=O)NC)CC1)N(C)C ZINC001425444075 1002681524 /nfs/dbraw/zinc/68/15/24/1002681524.db2.gz ZRGIJLQPNXQNLZ-TZMCWYRMSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H](C)C(=O)NC)CC1)N(C)C ZINC001425444075 1002681529 /nfs/dbraw/zinc/68/15/29/1002681529.db2.gz ZRGIJLQPNXQNLZ-TZMCWYRMSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001403894683 1002694703 /nfs/dbraw/zinc/69/47/03/1002694703.db2.gz IHBPWTSMCOCVRJ-BBRMVZONSA-N 1 3 317.449 0.970 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001403894683 1002694708 /nfs/dbraw/zinc/69/47/08/1002694708.db2.gz IHBPWTSMCOCVRJ-BBRMVZONSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001425646357 1002924494 /nfs/dbraw/zinc/92/44/94/1002924494.db2.gz FBUQNEFTEZISGN-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001425646357 1002924500 /nfs/dbraw/zinc/92/45/00/1002924500.db2.gz FBUQNEFTEZISGN-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001425646357 1002924505 /nfs/dbraw/zinc/92/45/05/1002924505.db2.gz FBUQNEFTEZISGN-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](CN[C@H](C)C(N)=O)C2CC2)CC1 ZINC001420785291 1002944061 /nfs/dbraw/zinc/94/40/61/1002944061.db2.gz SQAKQODJNHEFTB-IUODEOHRSA-N 1 3 324.469 0.465 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001425684658 1002957586 /nfs/dbraw/zinc/95/75/86/1002957586.db2.gz QNIVNAZUAGHMCK-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001425684658 1002957596 /nfs/dbraw/zinc/95/75/96/1002957596.db2.gz QNIVNAZUAGHMCK-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](NC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001420951554 1003169646 /nfs/dbraw/zinc/16/96/46/1003169646.db2.gz FJAVVCPQMVTMIX-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](NC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001420951554 1003169653 /nfs/dbraw/zinc/16/96/53/1003169653.db2.gz FJAVVCPQMVTMIX-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001425887122 1003224987 /nfs/dbraw/zinc/22/49/87/1003224987.db2.gz OOKAEONLXJBVTP-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C[C@H]1C ZINC001425902819 1003243637 /nfs/dbraw/zinc/24/36/37/1003243637.db2.gz CPSHVSKVEAPXIL-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cncn1C ZINC001421112461 1003331062 /nfs/dbraw/zinc/33/10/62/1003331062.db2.gz CAAIWFJLRPLHQN-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cncn1C ZINC001421112461 1003331065 /nfs/dbraw/zinc/33/10/65/1003331065.db2.gz CAAIWFJLRPLHQN-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)c1nc(CNC[C@@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001421127953 1003359549 /nfs/dbraw/zinc/35/95/49/1003359549.db2.gz JVPLMUCUMUDDQQ-ZDUSSCGKSA-N 1 3 322.457 0.960 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001406251521 1003529391 /nfs/dbraw/zinc/52/93/91/1003529391.db2.gz ACRAMCIUXRRRPG-HUUCEWRRSA-N 1 3 308.426 0.235 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CCN[C@H]2CCNC2=O)C1 ZINC001406331429 1003611859 /nfs/dbraw/zinc/61/18/59/1003611859.db2.gz RPVHXLFYZPIBNW-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)CCN[C@H]2CCNC2=O)C1 ZINC001406331429 1003611864 /nfs/dbraw/zinc/61/18/64/1003611864.db2.gz RPVHXLFYZPIBNW-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@H+](CCC2CC2)C1 ZINC001421395800 1003620644 /nfs/dbraw/zinc/62/06/44/1003620644.db2.gz JXTGVXNJPGCBIS-INIZCTEOSA-N 1 3 306.410 0.614 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001421395800 1003620647 /nfs/dbraw/zinc/62/06/47/1003620647.db2.gz JXTGVXNJPGCBIS-INIZCTEOSA-N 1 3 306.410 0.614 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001426248999 1003676197 /nfs/dbraw/zinc/67/61/97/1003676197.db2.gz ZMJPIJDKQQAGNH-UHFFFAOYSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001406534595 1003798064 /nfs/dbraw/zinc/79/80/64/1003798064.db2.gz QBPKZRKFKXZZTN-WFASDCNBSA-N 1 3 318.421 0.345 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1cnn(C)c1)C1CC1)C1CCC1 ZINC001406777864 1004084766 /nfs/dbraw/zinc/08/47/66/1004084766.db2.gz NNPAALKCWYISEL-INIZCTEOSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001426973596 1004142620 /nfs/dbraw/zinc/14/26/20/1004142620.db2.gz FNADFMBNYCAILM-UONOGXRCSA-N 1 3 321.425 0.400 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001406945026 1004245573 /nfs/dbraw/zinc/24/55/73/1004245573.db2.gz UMERREQNIMEDFT-ZDUSSCGKSA-N 1 3 306.414 0.038 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001406945026 1004245582 /nfs/dbraw/zinc/24/55/82/1004245582.db2.gz UMERREQNIMEDFT-ZDUSSCGKSA-N 1 3 306.414 0.038 20 0 DCADHO C[C@H](NC1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1)C(N)=O ZINC001407001627 1004297662 /nfs/dbraw/zinc/29/76/62/1004297662.db2.gz DCSXTIJYAWOBJJ-LBPRGKRZSA-N 1 3 318.421 0.474 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)C1(N(C)C)CCC1)C(=O)CC[NH+](C)C ZINC001429052093 1004355164 /nfs/dbraw/zinc/35/51/64/1004355164.db2.gz DSUGTDDRWREKLV-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C[C@H]1C ZINC001407078252 1004356799 /nfs/dbraw/zinc/35/67/99/1004356799.db2.gz AZFGRXMNROXIID-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001407100147 1004380782 /nfs/dbraw/zinc/38/07/82/1004380782.db2.gz KLCXACAAYMDPLZ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001407107650 1004389032 /nfs/dbraw/zinc/38/90/32/1004389032.db2.gz OZJLRDZCYNXNTF-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001407113290 1004394727 /nfs/dbraw/zinc/39/47/27/1004394727.db2.gz WCAZTLJFQAZBOO-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO CCCN(C)CC(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001407301165 1004529181 /nfs/dbraw/zinc/52/91/81/1004529181.db2.gz ANHZXGGITGAVOU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001407301165 1004529188 /nfs/dbraw/zinc/52/91/88/1004529188.db2.gz ANHZXGGITGAVOU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO COCCN1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001407387072 1004616432 /nfs/dbraw/zinc/61/64/32/1004616432.db2.gz ICZFWTWGEYECKM-HOCLYGCPSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001407387072 1004616436 /nfs/dbraw/zinc/61/64/36/1004616436.db2.gz ICZFWTWGEYECKM-HOCLYGCPSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2)C1CCC1 ZINC001407471428 1004672539 /nfs/dbraw/zinc/67/25/39/1004672539.db2.gz IEWSHTMWHGPOTE-LZWOXQAQSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2)C1CCC1 ZINC001407471428 1004672543 /nfs/dbraw/zinc/67/25/43/1004672543.db2.gz IEWSHTMWHGPOTE-LZWOXQAQSA-N 1 3 309.454 0.822 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001429584799 1004683915 /nfs/dbraw/zinc/68/39/15/1004683915.db2.gz KTZBEDUDVPFGKN-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001429584799 1004683919 /nfs/dbraw/zinc/68/39/19/1004683919.db2.gz KTZBEDUDVPFGKN-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)CCC1 ZINC001407546438 1004722120 /nfs/dbraw/zinc/72/21/20/1004722120.db2.gz IQGIFWDNTSRYSA-BTTYYORXSA-N 1 3 322.453 0.315 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)CCC1 ZINC001407546438 1004722123 /nfs/dbraw/zinc/72/21/23/1004722123.db2.gz IQGIFWDNTSRYSA-BTTYYORXSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001407803081 1004871113 /nfs/dbraw/zinc/87/11/13/1004871113.db2.gz OANUVAVFTJAHRC-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]Cc3cnn(C)c3)CCC2)C1 ZINC001407802725 1004871928 /nfs/dbraw/zinc/87/19/28/1004871928.db2.gz NNZUMZWYKRWHNX-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]C[C@H](C)OC)CC1)N(C)C ZINC001408140669 1005072162 /nfs/dbraw/zinc/07/21/62/1005072162.db2.gz FMHXDBDSEGEQGC-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CO[C@H](C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001408147701 1005076054 /nfs/dbraw/zinc/07/60/54/1005076054.db2.gz VQXCOAYMECDZSQ-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001408265085 1005132389 /nfs/dbraw/zinc/13/23/89/1005132389.db2.gz LQIZYWPZACFXJN-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001414637065 1005374303 /nfs/dbraw/zinc/37/43/03/1005374303.db2.gz XXVUQWBIKQGBCT-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001414701178 1005386620 /nfs/dbraw/zinc/38/66/20/1005386620.db2.gz WYFJHLCMBLOGPW-BYNSBNAKSA-N 1 3 312.458 0.878 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001414701178 1005386622 /nfs/dbraw/zinc/38/66/22/1005386622.db2.gz WYFJHLCMBLOGPW-BYNSBNAKSA-N 1 3 312.458 0.878 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001415619768 1005577363 /nfs/dbraw/zinc/57/73/63/1005577363.db2.gz GGYGJVZMUYSFEE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001415619768 1005577365 /nfs/dbraw/zinc/57/73/65/1005577365.db2.gz GGYGJVZMUYSFEE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001417778121 1005889195 /nfs/dbraw/zinc/88/91/95/1005889195.db2.gz OHRHNWJCAOZONL-MJBXVCDLSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001417812136 1005894918 /nfs/dbraw/zinc/89/49/18/1005894918.db2.gz ICZVWRIMGXMBFQ-BFHYXJOUSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001417903300 1005919437 /nfs/dbraw/zinc/91/94/37/1005919437.db2.gz TYYHZLIFDQSEKW-GXTWGEPZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)C[NH+]1CCN(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001417923367 1005926969 /nfs/dbraw/zinc/92/69/69/1005926969.db2.gz AGOLJQXLYQTCQB-MRXNPFEDSA-N 1 3 310.486 0.718 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001418067218 1005999077 /nfs/dbraw/zinc/99/90/77/1005999077.db2.gz YBOJZXFUKUITHJ-YRGRVCCFSA-N 1 3 308.430 0.375 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001438664672 1006003856 /nfs/dbraw/zinc/00/38/56/1006003856.db2.gz PDMDRFCEEFNBQB-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001438682211 1006025014 /nfs/dbraw/zinc/02/50/14/1006025014.db2.gz NDIIZKSOXGRKDC-NEPJUHHUSA-N 1 3 322.457 0.952 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438730773 1006079518 /nfs/dbraw/zinc/07/95/18/1006079518.db2.gz GIOVBAQCXCLPFR-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438730773 1006079530 /nfs/dbraw/zinc/07/95/30/1006079530.db2.gz GIOVBAQCXCLPFR-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)C1=O ZINC001436368884 1006146386 /nfs/dbraw/zinc/14/63/86/1006146386.db2.gz RFNMRUSOXOLFLJ-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001436390012 1006159580 /nfs/dbraw/zinc/15/95/80/1006159580.db2.gz KHGFTGPFQODGOL-AJNGGQMLSA-N 1 3 324.469 0.289 20 0 DCADHO CN(CC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1CCCN1C ZINC001438860446 1006168802 /nfs/dbraw/zinc/16/88/02/1006168802.db2.gz GYODBXOOADZONS-HNNXBMFYSA-N 1 3 307.442 0.447 20 0 DCADHO CN(CC[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1CCCN1C ZINC001438860446 1006168810 /nfs/dbraw/zinc/16/88/10/1006168810.db2.gz GYODBXOOADZONS-HNNXBMFYSA-N 1 3 307.442 0.447 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001439008846 1006352380 /nfs/dbraw/zinc/35/23/80/1006352380.db2.gz BGLCFYGRXKFOJT-OAHLLOKOSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001439008844 1006353348 /nfs/dbraw/zinc/35/33/48/1006353348.db2.gz BGLCFYGRXKFOJT-HNNXBMFYSA-N 1 3 320.437 0.299 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001418338097 1006401982 /nfs/dbraw/zinc/40/19/82/1006401982.db2.gz WCFSRAPKKRZHNU-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001439084926 1006450914 /nfs/dbraw/zinc/45/09/14/1006450914.db2.gz VGXFCXABXNUNQM-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001418387347 1006455418 /nfs/dbraw/zinc/45/54/18/1006455418.db2.gz WCFMBJOVQIYPQK-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001418387347 1006455426 /nfs/dbraw/zinc/45/54/26/1006455426.db2.gz WCFMBJOVQIYPQK-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001436917761 1006457371 /nfs/dbraw/zinc/45/73/71/1006457371.db2.gz BLUBSQBCSYOBLQ-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]21 ZINC001437075719 1006572785 /nfs/dbraw/zinc/57/27/85/1006572785.db2.gz KFCZADSLOHEXED-MRLBHPIUSA-N 1 3 315.433 0.748 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]21 ZINC001437075719 1006572794 /nfs/dbraw/zinc/57/27/94/1006572794.db2.gz KFCZADSLOHEXED-MRLBHPIUSA-N 1 3 315.433 0.748 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001437129365 1006624573 /nfs/dbraw/zinc/62/45/73/1006624573.db2.gz JIFNQAJLLWTBJZ-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001439282285 1006652890 /nfs/dbraw/zinc/65/28/90/1006652890.db2.gz JCJCLIPBFHISCY-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439282285 1006652897 /nfs/dbraw/zinc/65/28/97/1006652897.db2.gz JCJCLIPBFHISCY-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001439400152 1006810856 /nfs/dbraw/zinc/81/08/56/1006810856.db2.gz JZUQDXDVZPQHLO-CQSZACIVSA-N 1 3 322.453 0.664 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001439400152 1006810865 /nfs/dbraw/zinc/81/08/65/1006810865.db2.gz JZUQDXDVZPQHLO-CQSZACIVSA-N 1 3 322.453 0.664 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cnns1 ZINC001437374301 1006902097 /nfs/dbraw/zinc/90/20/97/1006902097.db2.gz TWMLEWPBUQCNKF-BXUZGUMPSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001437379214 1006907024 /nfs/dbraw/zinc/90/70/24/1006907024.db2.gz HZIZYHQIRRPDMH-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cncn1C)C1CC1)N(C)C ZINC001439481495 1006912170 /nfs/dbraw/zinc/91/21/70/1006912170.db2.gz BFQRKHLMBWRITI-HUUCEWRRSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nncn1C ZINC001439519082 1006948899 /nfs/dbraw/zinc/94/88/99/1006948899.db2.gz VNZOPBOOUBEUNX-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCc2ccnn2C)CC[N@@H+]1C ZINC001437460148 1006989035 /nfs/dbraw/zinc/98/90/35/1006989035.db2.gz AFGGTYCVASGVEN-JKSUJKDBSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)CCc2ccnn2C)CC[N@H+]1C ZINC001437460148 1006989045 /nfs/dbraw/zinc/98/90/45/1006989045.db2.gz AFGGTYCVASGVEN-JKSUJKDBSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](NC1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1)C(N)=O ZINC001439665173 1007120369 /nfs/dbraw/zinc/12/03/69/1007120369.db2.gz PKXJJUMNLVJNSL-AWEZNQCLSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001452963234 1007173129 /nfs/dbraw/zinc/17/31/29/1007173129.db2.gz UQPKXKDJQIIZJC-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001452963234 1007173143 /nfs/dbraw/zinc/17/31/43/1007173143.db2.gz UQPKXKDJQIIZJC-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001453240096 1007340022 /nfs/dbraw/zinc/34/00/22/1007340022.db2.gz IDZLSZCFZODUQZ-ZDUSSCGKSA-N 1 3 307.398 0.011 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)NC)C1 ZINC001438003648 1007579185 /nfs/dbraw/zinc/57/91/85/1007579185.db2.gz WAKQPUIUMHOGDE-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)NC)C1 ZINC001438003648 1007579195 /nfs/dbraw/zinc/57/91/95/1007579195.db2.gz WAKQPUIUMHOGDE-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCC[N@H+](C)CCO)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001440465662 1007799896 /nfs/dbraw/zinc/79/98/96/1007799896.db2.gz ZCNRKQLOMYDFTJ-INIZCTEOSA-N 1 3 317.449 0.972 20 0 DCADHO CN(CCC[N@@H+](C)CCO)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001440465662 1007799905 /nfs/dbraw/zinc/79/99/05/1007799905.db2.gz ZCNRKQLOMYDFTJ-INIZCTEOSA-N 1 3 317.449 0.972 20 0 DCADHO C[C@@H]1CCCC[C@]1(CNCC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001438431911 1007904114 /nfs/dbraw/zinc/90/41/14/1007904114.db2.gz MFLYOEPQJUDXRQ-CXAGYDPISA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001440818720 1008044832 /nfs/dbraw/zinc/04/48/32/1008044832.db2.gz LTJOSTMRPIFOOM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001440861707 1008076483 /nfs/dbraw/zinc/07/64/83/1008076483.db2.gz PJBHNOFWKROWSH-OLZOCXBDSA-N 1 3 320.437 0.591 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001441317828 1008318234 /nfs/dbraw/zinc/31/82/34/1008318234.db2.gz VWKQJZYCRJCMTI-LVQVYYBASA-N 1 3 319.453 0.517 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001441317828 1008318239 /nfs/dbraw/zinc/31/82/39/1008318239.db2.gz VWKQJZYCRJCMTI-LVQVYYBASA-N 1 3 319.453 0.517 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001441356643 1008331930 /nfs/dbraw/zinc/33/19/30/1008331930.db2.gz YXYQONJMLGAXOM-UMVBOHGHSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001441401295 1008346291 /nfs/dbraw/zinc/34/62/91/1008346291.db2.gz GBWUEEXWPNWEJI-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001441414275 1008348304 /nfs/dbraw/zinc/34/83/04/1008348304.db2.gz FEYPZSQPLQWEMY-KKUMJFAQSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441450701 1008359367 /nfs/dbraw/zinc/35/93/67/1008359367.db2.gz SOBQSEUOTPUOKG-AEGPPILISA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001441450701 1008359368 /nfs/dbraw/zinc/35/93/68/1008359368.db2.gz SOBQSEUOTPUOKG-AEGPPILISA-N 1 3 324.469 0.289 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001441504531 1008380735 /nfs/dbraw/zinc/38/07/35/1008380735.db2.gz LGXSVABFWQMHOS-BETUJISGSA-N 1 3 308.430 0.377 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001441528351 1008391494 /nfs/dbraw/zinc/39/14/94/1008391494.db2.gz NFAUZCOCNMKCAD-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001441529662 1008392295 /nfs/dbraw/zinc/39/22/95/1008392295.db2.gz QIXIFOHCWGWKSS-BETUJISGSA-N 1 3 308.430 0.377 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001441529662 1008392298 /nfs/dbraw/zinc/39/22/98/1008392298.db2.gz QIXIFOHCWGWKSS-BETUJISGSA-N 1 3 308.430 0.377 20 0 DCADHO CC(C)C[NH2+][C@H](CO)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001441760971 1008490913 /nfs/dbraw/zinc/49/09/13/1008490913.db2.gz WTXMABMDFDERLF-BBRMVZONSA-N 1 3 317.449 0.922 20 0 DCADHO CN(CCN(C)C(=O)CN(C)C1CCC1)C(=O)CC[NH+](C)C ZINC001433178120 1008581812 /nfs/dbraw/zinc/58/18/12/1008581812.db2.gz AYOOCKWVDGHPEU-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cccn1 ZINC001441866134 1008597274 /nfs/dbraw/zinc/59/72/74/1008597274.db2.gz NYRIPKPOJXCSNC-CABCVRRESA-N 1 3 307.442 0.852 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001441875924 1008614954 /nfs/dbraw/zinc/61/49/54/1008614954.db2.gz QELWDQGCUVHVHD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001441875924 1008614958 /nfs/dbraw/zinc/61/49/58/1008614958.db2.gz QELWDQGCUVHVHD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)n[nH]1 ZINC001441992701 1008768751 /nfs/dbraw/zinc/76/87/51/1008768751.db2.gz JKQXTOLNOXKQPZ-GFCCVEGCSA-N 1 3 322.457 0.828 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)c1 ZINC001442089827 1008956771 /nfs/dbraw/zinc/95/67/71/1008956771.db2.gz JJNFWAOQFOPACU-INIZCTEOSA-N 1 3 323.437 0.105 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)c1 ZINC001442089827 1008956784 /nfs/dbraw/zinc/95/67/84/1008956784.db2.gz JJNFWAOQFOPACU-INIZCTEOSA-N 1 3 323.437 0.105 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1nccn1C ZINC001421720655 1008982699 /nfs/dbraw/zinc/98/26/99/1008982699.db2.gz BFGBSTYOBGDEIX-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001421731895 1008999985 /nfs/dbraw/zinc/99/99/85/1008999985.db2.gz PZLGHHOTPGHQOK-ILXRZTDVSA-N 1 3 321.469 0.992 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001421731895 1008999999 /nfs/dbraw/zinc/99/99/99/1008999999.db2.gz PZLGHHOTPGHQOK-ILXRZTDVSA-N 1 3 321.469 0.992 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]CC(=O)NC3CC3)CCC2)C1 ZINC001421765870 1009055864 /nfs/dbraw/zinc/05/58/64/1009055864.db2.gz KUZVZXCFYAQWJU-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001421902940 1009237449 /nfs/dbraw/zinc/23/74/49/1009237449.db2.gz HCRWRDVNKGYEAH-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001433886013 1009306123 /nfs/dbraw/zinc/30/61/23/1009306123.db2.gz UXMMTUABFWNOMC-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001433900536 1009326204 /nfs/dbraw/zinc/32/62/04/1009326204.db2.gz CBZDJQFWIVONBR-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@H+](C)C[C@H]1CCNC(=O)CC1 ZINC001442620461 1009529342 /nfs/dbraw/zinc/52/93/42/1009529342.db2.gz NSLFIHWNVFGJDK-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)C[C@H]1CCNC(=O)CC1 ZINC001442620461 1009529349 /nfs/dbraw/zinc/52/93/49/1009529349.db2.gz NSLFIHWNVFGJDK-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O)CC(C)(C)C ZINC001422277726 1009758140 /nfs/dbraw/zinc/75/81/40/1009758140.db2.gz OUEJDTCQIBKPJZ-STQMWFEESA-N 1 3 312.458 0.324 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001422327945 1009883616 /nfs/dbraw/zinc/88/36/16/1009883616.db2.gz RRCLECFEHVCGQN-JKSUJKDBSA-N 1 3 320.437 0.523 20 0 DCADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)C(C)(C)O)CC2)CC1 ZINC001434463400 1009979192 /nfs/dbraw/zinc/97/91/92/1009979192.db2.gz AVQXOLRDYRPOND-INIZCTEOSA-N 1 3 313.486 0.609 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)CC2CC[NH+](C)CC2)C1=O ZINC001443075015 1010113139 /nfs/dbraw/zinc/11/31/39/1010113139.db2.gz CDEOFQQCHHPAIC-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC001422462144 1010120750 /nfs/dbraw/zinc/12/07/50/1010120750.db2.gz QDDXAXJFGYZZLT-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001443087910 1010129877 /nfs/dbraw/zinc/12/98/77/1010129877.db2.gz QYQGQBXPEOTXAF-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001443087910 1010129882 /nfs/dbraw/zinc/12/98/82/1010129882.db2.gz QYQGQBXPEOTXAF-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001443150177 1010173875 /nfs/dbraw/zinc/17/38/75/1010173875.db2.gz VSCJLGJQDZYZAQ-STQMWFEESA-N 1 3 312.458 0.417 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001443347240 1010355115 /nfs/dbraw/zinc/35/51/15/1010355115.db2.gz QZXQQGRSCHLSSE-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001443347240 1010355136 /nfs/dbraw/zinc/35/51/36/1010355136.db2.gz QZXQQGRSCHLSSE-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](O)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001443364583 1010368193 /nfs/dbraw/zinc/36/81/93/1010368193.db2.gz ROXKBYMPGPXFKO-CABCVRRESA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](O)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001443364583 1010368199 /nfs/dbraw/zinc/36/81/99/1010368199.db2.gz ROXKBYMPGPXFKO-CABCVRRESA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001422607857 1010394747 /nfs/dbraw/zinc/39/47/47/1010394747.db2.gz RGOSSSJOFWMDHC-KGLIPLIRSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001422607857 1010394754 /nfs/dbraw/zinc/39/47/54/1010394754.db2.gz RGOSSSJOFWMDHC-KGLIPLIRSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001422608723 1010400169 /nfs/dbraw/zinc/40/01/69/1010400169.db2.gz SHUXUPZZJOITMV-AWEZNQCLSA-N 1 3 322.453 0.662 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001422608723 1010400175 /nfs/dbraw/zinc/40/01/75/1010400175.db2.gz SHUXUPZZJOITMV-AWEZNQCLSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001422695842 1010495932 /nfs/dbraw/zinc/49/59/32/1010495932.db2.gz KKOLNZLTXBFJCJ-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001508901104 1017096286 /nfs/dbraw/zinc/09/62/86/1017096286.db2.gz DTRYYEGHAIHMMA-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001508901104 1017096299 /nfs/dbraw/zinc/09/62/99/1017096299.db2.gz DTRYYEGHAIHMMA-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001423045280 1010835165 /nfs/dbraw/zinc/83/51/65/1010835165.db2.gz BDFXEZMRTDGCSB-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001423045280 1010835171 /nfs/dbraw/zinc/83/51/71/1010835171.db2.gz BDFXEZMRTDGCSB-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001423048886 1010838874 /nfs/dbraw/zinc/83/88/74/1010838874.db2.gz JXJWERBFSGAUTO-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNC[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001444126231 1010870092 /nfs/dbraw/zinc/87/00/92/1010870092.db2.gz DRHBLQMQYHMESL-GUYCJALGSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001444126231 1010870097 /nfs/dbraw/zinc/87/00/97/1010870097.db2.gz DRHBLQMQYHMESL-GUYCJALGSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423107248 1010892532 /nfs/dbraw/zinc/89/25/32/1010892532.db2.gz QIIAEDVNCGAMSE-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001444240350 1010919599 /nfs/dbraw/zinc/91/95/99/1010919599.db2.gz DEJXXTBRVSWTNQ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001444240350 1010919602 /nfs/dbraw/zinc/91/96/02/1010919602.db2.gz DEJXXTBRVSWTNQ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001444382987 1010990132 /nfs/dbraw/zinc/99/01/32/1010990132.db2.gz DNBCDEAZZWBHIV-HIFRSBDPSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001444382987 1010990136 /nfs/dbraw/zinc/99/01/36/1010990136.db2.gz DNBCDEAZZWBHIV-HIFRSBDPSA-N 1 3 319.453 0.969 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H]2CCNC2=O)CCCC1)N(C)C ZINC001444504121 1011044095 /nfs/dbraw/zinc/04/40/95/1011044095.db2.gz KHSAQVITVPYRJO-KGLIPLIRSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001423321682 1011075176 /nfs/dbraw/zinc/07/51/76/1011075176.db2.gz CYXCFKVICUHUSJ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001444701372 1011137956 /nfs/dbraw/zinc/13/79/56/1011137956.db2.gz SXDMCRMUKLVJDY-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1C ZINC001423446373 1011154755 /nfs/dbraw/zinc/15/47/55/1011154755.db2.gz AVYBVQSNMUNJSV-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC)[C@@H](C)C1 ZINC001444787803 1011173046 /nfs/dbraw/zinc/17/30/46/1011173046.db2.gz LPXZDDSHCKPXBH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001456520270 1011322548 /nfs/dbraw/zinc/32/25/48/1011322548.db2.gz FUPBTMZABQXWEI-GJZGRUSLSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001456520270 1011322563 /nfs/dbraw/zinc/32/25/63/1011322563.db2.gz FUPBTMZABQXWEI-GJZGRUSLSA-N 1 3 324.469 0.099 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001456562833 1011340335 /nfs/dbraw/zinc/34/03/35/1011340335.db2.gz YZBDSIVJQXZLJV-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001456562833 1011340342 /nfs/dbraw/zinc/34/03/42/1011340342.db2.gz YZBDSIVJQXZLJV-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)CC1 ZINC001423637774 1011375790 /nfs/dbraw/zinc/37/57/90/1011375790.db2.gz QIWNBMADZDVNQW-INIZCTEOSA-N 1 3 310.442 0.032 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001533572373 1011450628 /nfs/dbraw/zinc/45/06/28/1011450628.db2.gz JKHAIMKVUWZCRZ-GJBLVYBDSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C/C=C\Cl)C1 ZINC001423770314 1011517710 /nfs/dbraw/zinc/51/77/10/1011517710.db2.gz CVYIFCREUURLDT-NBVGUUKWSA-N 1 3 315.845 0.776 20 0 DCADHO CN1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C/C=C\Cl)C1 ZINC001423770314 1011517723 /nfs/dbraw/zinc/51/77/23/1011517723.db2.gz CVYIFCREUURLDT-NBVGUUKWSA-N 1 3 315.845 0.776 20 0 DCADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CN1CCCC1 ZINC001431695045 1011551823 /nfs/dbraw/zinc/55/18/23/1011551823.db2.gz HQKJAEBWZFRPCU-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@H](C)C(=O)NC ZINC001445311374 1011640638 /nfs/dbraw/zinc/64/06/38/1011640638.db2.gz ZYKFXUPDIQYION-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@H](C)C(=O)NC ZINC001445311374 1011640644 /nfs/dbraw/zinc/64/06/44/1011640644.db2.gz ZYKFXUPDIQYION-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CN(C)C1CCC1 ZINC001445319778 1011652446 /nfs/dbraw/zinc/65/24/46/1011652446.db2.gz RPUXKKCZIKPPDM-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccnn1C ZINC001445379464 1011708119 /nfs/dbraw/zinc/70/81/19/1011708119.db2.gz KSNNPKYURIEUCI-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccnn1C ZINC001445379464 1011708128 /nfs/dbraw/zinc/70/81/28/1011708128.db2.gz KSNNPKYURIEUCI-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001423933090 1011746070 /nfs/dbraw/zinc/74/60/70/1011746070.db2.gz BPGFJPNGNXJMNY-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN2CCC([NH2+]CCF)CC2)C1 ZINC001423991848 1011810243 /nfs/dbraw/zinc/81/02/43/1011810243.db2.gz IXEDGJQUWYWQKD-CQSZACIVSA-N 1 3 314.449 0.468 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cnc([C@H]3CCCN3)nc2)CCO1 ZINC001553359224 1011916765 /nfs/dbraw/zinc/91/67/65/1011916765.db2.gz LGHGWPMVBOSHQM-CYZMBNFOSA-N 1 3 305.382 0.089 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001445556393 1011924983 /nfs/dbraw/zinc/92/49/83/1011924983.db2.gz CEPBBJNEZBBJGW-RYUDHWBXSA-N 1 3 310.442 0.232 20 0 DCADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553425023 1011962401 /nfs/dbraw/zinc/96/24/01/1011962401.db2.gz REWGOXBYZFDPKO-JONQDZQNSA-N 1 3 317.389 0.805 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NC1(C2CC[NH2+]CC2)CC1 ZINC001553448541 1011984361 /nfs/dbraw/zinc/98/43/61/1011984361.db2.gz XVQSHXPXCDHATL-CABCVRRESA-N 1 3 322.453 0.681 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001445604138 1011989895 /nfs/dbraw/zinc/98/98/95/1011989895.db2.gz HYHQMFLDWJMZMP-XQQFMLRXSA-N 1 3 308.430 0.200 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2(C3CC[NH2+]CC3)CC2)C1 ZINC001553452886 1011993706 /nfs/dbraw/zinc/99/37/06/1011993706.db2.gz DYGTVFHYNHVTOD-AWEZNQCLSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553507693 1012048187 /nfs/dbraw/zinc/04/81/87/1012048187.db2.gz QZLMFLKZGNWQJQ-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553511518 1012054871 /nfs/dbraw/zinc/05/48/71/1012054871.db2.gz UDXNGQHBFRDKCN-UNEWFSDZSA-N 1 3 322.453 0.681 20 0 DCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553513631 1012058389 /nfs/dbraw/zinc/05/83/89/1012058389.db2.gz ZELWASOBWKASJV-SOUVJXGZSA-N 1 3 322.453 0.369 20 0 DCADHO [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCCC1 ZINC001553517793 1012065222 /nfs/dbraw/zinc/06/52/22/1012065222.db2.gz MBVKUXLVDOJVOH-KGLIPLIRSA-N 1 3 310.442 0.499 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553533362 1012085331 /nfs/dbraw/zinc/08/53/31/1012085331.db2.gz KAVWWAJXPUOIIL-MJBXVCDLSA-N 1 3 310.442 0.225 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001424234562 1012214127 /nfs/dbraw/zinc/21/41/27/1012214127.db2.gz DRSKADOCQBXSFK-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCc2ccnn2C)C1 ZINC001424234562 1012214140 /nfs/dbraw/zinc/21/41/40/1012214140.db2.gz DRSKADOCQBXSFK-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CN(CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001432412212 1012453644 /nfs/dbraw/zinc/45/36/44/1012453644.db2.gz HDWZQUKESPOICN-ZDUSSCGKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001432412212 1012453658 /nfs/dbraw/zinc/45/36/58/1012453658.db2.gz HDWZQUKESPOICN-ZDUSSCGKSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H](NC[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1)C(N)=O ZINC001446014586 1012524533 /nfs/dbraw/zinc/52/45/33/1012524533.db2.gz MQURZIUXZFDQKQ-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001459259989 1012652292 /nfs/dbraw/zinc/65/22/92/1012652292.db2.gz RNLPUPAYZACRAR-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CCCC[C@H](NC1(CNC(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001446228530 1012701527 /nfs/dbraw/zinc/70/15/27/1012701527.db2.gz JZYLWUCIGZAZCT-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CN1C1CC1 ZINC001548554244 1012707252 /nfs/dbraw/zinc/70/72/52/1012707252.db2.gz DILQJBIQDGWEBI-XHBSWPGZSA-N 1 3 306.410 0.626 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)c1 ZINC001548580011 1012758483 /nfs/dbraw/zinc/75/84/83/1012758483.db2.gz UOQSZFFVOOZSOC-INIZCTEOSA-N 1 3 302.378 0.357 20 0 DCADHO CC[C@@H](C(=O)N1CCc2[nH]cnc2C12CC[NH2+]CC2)N(C)C ZINC001548583399 1012766133 /nfs/dbraw/zinc/76/61/33/1012766133.db2.gz YMFRIEJPJCGXDN-ZDUSSCGKSA-N 1 3 305.426 0.713 20 0 DCADHO CC[C@@H](C(=O)N1CCc2nc[nH]c2C12CC[NH2+]CC2)N(C)C ZINC001548583399 1012766147 /nfs/dbraw/zinc/76/61/47/1012766147.db2.gz YMFRIEJPJCGXDN-ZDUSSCGKSA-N 1 3 305.426 0.713 20 0 DCADHO CN(CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001429851879 1012865084 /nfs/dbraw/zinc/86/50/84/1012865084.db2.gz OMYBORKANXFGLB-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(CNC(=O)CC[NH+](C)C)CC2)C1 ZINC001506195109 1017111307 /nfs/dbraw/zinc/11/13/07/1017111307.db2.gz HDRKZUHDVUIWFP-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]CC(N)=O)CCCCC2)C1 ZINC001506517413 1017334939 /nfs/dbraw/zinc/33/49/39/1017334939.db2.gz CMNCGNGMWONMFG-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001479371120 1017524966 /nfs/dbraw/zinc/52/49/66/1017524966.db2.gz JNILEHMIUPZAGQ-RBSFLKMASA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001506896898 1017651372 /nfs/dbraw/zinc/65/13/72/1017651372.db2.gz BULCZGLOEOOFQM-AAVRWANBSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC1CC1)N(C)C ZINC001499926335 1018139079 /nfs/dbraw/zinc/13/90/79/1018139079.db2.gz HZYSHIBCAKYHPF-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC[NH2+]CCn1cncn1)C(=O)CN1CC[C@H](C)C1 ZINC001497455983 1018148181 /nfs/dbraw/zinc/14/81/81/1018148181.db2.gz SWQZUZIANVCDRO-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001494980864 1018203478 /nfs/dbraw/zinc/20/34/78/1018203478.db2.gz IJOYQIJNRJMEGJ-HZPDHXFCSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001497585173 1018250634 /nfs/dbraw/zinc/25/06/34/1018250634.db2.gz GFTJAFUZQNJRJR-LBDXXUFISA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001497585173 1018250645 /nfs/dbraw/zinc/25/06/45/1018250645.db2.gz GFTJAFUZQNJRJR-LBDXXUFISA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H](C)C(=O)NC)CC[N@@H+]1C ZINC001497585175 1018253306 /nfs/dbraw/zinc/25/33/06/1018253306.db2.gz GFTJAFUZQNJRJR-VWLWPULWSA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H](C)C(=O)NC)CC[N@H+]1C ZINC001497585175 1018253314 /nfs/dbraw/zinc/25/33/14/1018253314.db2.gz GFTJAFUZQNJRJR-VWLWPULWSA-N 1 3 310.442 0.113 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cccn1 ZINC001495059792 1018274918 /nfs/dbraw/zinc/27/49/18/1018274918.db2.gz WHZDQPBBWIYCBW-LSDHHAIUSA-N 1 3 307.442 0.709 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001480168291 1018276027 /nfs/dbraw/zinc/27/60/27/1018276027.db2.gz CQCWGYBPHAINFK-HDJSIYSDSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1n[nH]c(C)n1 ZINC001495095909 1018308142 /nfs/dbraw/zinc/30/81/42/1018308142.db2.gz YWYCHRPPISKDFF-OLZOCXBDSA-N 1 3 308.430 0.439 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C)n1 ZINC001495095909 1018308148 /nfs/dbraw/zinc/30/81/48/1018308148.db2.gz YWYCHRPPISKDFF-OLZOCXBDSA-N 1 3 308.430 0.439 20 0 DCADHO CN1CCC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CCCCN2C)C1=O ZINC001497654251 1018309472 /nfs/dbraw/zinc/30/94/72/1018309472.db2.gz ILRAEWIGRXTEOJ-NWRQEBOHSA-N 1 3 322.453 0.354 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001495302909 1018454816 /nfs/dbraw/zinc/45/48/16/1018454816.db2.gz LLPQTHKDZKRDND-WMLDXEAASA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001497836504 1018459143 /nfs/dbraw/zinc/45/91/43/1018459143.db2.gz ZJFVPJYNMBAWER-HZSPNIEDSA-N 1 3 314.474 0.676 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001497911474 1018510706 /nfs/dbraw/zinc/51/07/06/1018510706.db2.gz XHGSTGDJUXGDNL-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497962735 1018542918 /nfs/dbraw/zinc/54/29/18/1018542918.db2.gz LNPAKWCLPLSFKA-TZMCWYRMSA-N 1 3 322.457 0.543 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497962735 1018542929 /nfs/dbraw/zinc/54/29/29/1018542929.db2.gz LNPAKWCLPLSFKA-TZMCWYRMSA-N 1 3 322.457 0.543 20 0 DCADHO CNC(=O)[C@@H](C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001495505201 1018546080 /nfs/dbraw/zinc/54/60/80/1018546080.db2.gz MXTXUPVDVCJBSQ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001497985680 1018559676 /nfs/dbraw/zinc/55/96/76/1018559676.db2.gz GNLFASZMEDWPGZ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCc1cnn(C)c1 ZINC001480476667 1018575049 /nfs/dbraw/zinc/57/50/49/1018575049.db2.gz GEYQGTHNKAWGEK-ZDUSSCGKSA-N 1 3 307.442 0.541 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001495718575 1018667656 /nfs/dbraw/zinc/66/76/56/1018667656.db2.gz IFWBVCYWKISNKV-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CCCC1 ZINC001480832892 1018956724 /nfs/dbraw/zinc/95/67/24/1018956724.db2.gz JEAWMMGOPREGCL-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CCCC1 ZINC001480832892 1018956737 /nfs/dbraw/zinc/95/67/37/1018956737.db2.gz JEAWMMGOPREGCL-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496096890 1019065373 /nfs/dbraw/zinc/06/53/73/1019065373.db2.gz HMYURMOEUXGJIX-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496096890 1019065386 /nfs/dbraw/zinc/06/53/86/1019065386.db2.gz HMYURMOEUXGJIX-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496142803 1019109574 /nfs/dbraw/zinc/10/95/74/1019109574.db2.gz XTGWDLAEKSPGNG-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496142803 1019109581 /nfs/dbraw/zinc/10/95/81/1019109581.db2.gz XTGWDLAEKSPGNG-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC/C=C\CNC(=O)CN1CCCC1 ZINC001501864870 1019528379 /nfs/dbraw/zinc/52/83/79/1019528379.db2.gz NPAGYJRNJILWAL-GWQWAINWSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC/C=C\CNC(=O)CN1CCCC1 ZINC001501864870 1019528398 /nfs/dbraw/zinc/52/83/98/1019528398.db2.gz NPAGYJRNJILWAL-GWQWAINWSA-N 1 3 322.453 0.355 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001501879241 1019535171 /nfs/dbraw/zinc/53/51/71/1019535171.db2.gz GANUETSYGKZHLB-BFHYXJOUSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CC(=O)N(CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496754392 1019608576 /nfs/dbraw/zinc/60/85/76/1019608576.db2.gz CKMDHKIGKXHCNN-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)N(CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496754392 1019608584 /nfs/dbraw/zinc/60/85/84/1019608584.db2.gz CKMDHKIGKXHCNN-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CC[NH2+][C@H]1CCN(C(C)(C)C)C1=O)C(=O)CN1CCCC1 ZINC001493793565 1019712734 /nfs/dbraw/zinc/71/27/34/1019712734.db2.gz JLJUTJPMPQADDP-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001496990294 1019892141 /nfs/dbraw/zinc/89/21/41/1019892141.db2.gz HJLWMJDIWCHMQQ-NMTKSXOJSA-N 1 3 303.834 0.680 20 0 DCADHO C[NH+]1CCC(C(=O)NCC[C@H]2CCN([C@H]3CCNC3=O)C2)CC1 ZINC001494046502 1019946106 /nfs/dbraw/zinc/94/61/06/1019946106.db2.gz CNPDJKPAUFUAQF-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001494066787 1019958856 /nfs/dbraw/zinc/95/88/56/1019958856.db2.gz BGYHYRNSITWXMG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001494066787 1019958866 /nfs/dbraw/zinc/95/88/66/1019958866.db2.gz BGYHYRNSITWXMG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494225760 1020085915 /nfs/dbraw/zinc/08/59/15/1020085915.db2.gz OCYRRURLXMBBLF-APIJFGDWSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494225760 1020085926 /nfs/dbraw/zinc/08/59/26/1020085926.db2.gz OCYRRURLXMBBLF-APIJFGDWSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000286538895 219044037 /nfs/dbraw/zinc/04/40/37/219044037.db2.gz QNLZVFDENJMZED-STQMWFEESA-N 1 3 310.442 0.209 20 0 DCADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000339634857 282257557 /nfs/dbraw/zinc/25/75/57/282257557.db2.gz IOOUKWGZNFJQCX-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)NCCCN3CC[NH2+]CC3)[C@@H]2C1 ZINC000331371450 529807585 /nfs/dbraw/zinc/80/75/85/529807585.db2.gz DQKDGYZMNZOCHO-LSDHHAIUSA-N 1 3 309.458 0.017 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000338320878 282389417 /nfs/dbraw/zinc/38/94/17/282389417.db2.gz URFPFHFAZNVVBS-QGZVFWFLSA-N 1 3 322.497 0.814 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000338320878 282389427 /nfs/dbraw/zinc/38/94/27/282389427.db2.gz URFPFHFAZNVVBS-QGZVFWFLSA-N 1 3 322.497 0.814 20 0 DCADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000286860051 219198981 /nfs/dbraw/zinc/19/89/81/219198981.db2.gz XXUNQGFIECIPET-QGZVFWFLSA-N 1 3 316.449 0.868 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418836010 290834381 /nfs/dbraw/zinc/83/43/81/290834381.db2.gz OQCUKWFIIJYMLJ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)[C@@]1(CNC(=O)c2csc(CC[NH3+])n2)CCSC1 ZINC000279894034 215213369 /nfs/dbraw/zinc/21/33/69/215213369.db2.gz IEVZACDQHRUTFW-CYBMUJFWSA-N 1 3 314.480 0.811 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340206376 295857010 /nfs/dbraw/zinc/85/70/10/295857010.db2.gz WTWJMENXMZPPMZ-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[NH2+]CCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000561207197 288532259 /nfs/dbraw/zinc/53/22/59/288532259.db2.gz XAABWOQNUHPQNE-UHFFFAOYSA-N 1 3 312.458 0.740 20 0 DCADHO CCN1CCN(CCCNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236878147 202047580 /nfs/dbraw/zinc/04/75/80/202047580.db2.gz YJMJHMQPPYQAAN-AWEZNQCLSA-N 1 3 314.499 0.225 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]Cc3ccccc32)C1 ZINC000333231474 283418043 /nfs/dbraw/zinc/41/80/43/283418043.db2.gz YJZQNMFAMJBUPC-AWEZNQCLSA-N 1 3 302.422 0.794 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[NH+](C)C ZINC000163291465 291246511 /nfs/dbraw/zinc/24/65/11/291246511.db2.gz NOWWZOUYGSNVCU-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CSC[C@@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000566108811 291270626 /nfs/dbraw/zinc/27/06/26/291270626.db2.gz FKTNQGKCYDIBKU-INIZCTEOSA-N 1 3 324.494 0.907 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000566185426 291279023 /nfs/dbraw/zinc/27/90/23/291279023.db2.gz FDTWAAWWPFAEGJ-QGZVFWFLSA-N 1 3 318.465 0.825 20 0 DCADHO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326633 240022984 /nfs/dbraw/zinc/02/29/84/240022984.db2.gz CMXYODAKYVVDMD-MELADBBJSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000420022386 240005025 /nfs/dbraw/zinc/00/50/25/240005025.db2.gz VTNJEQYKZXAVRG-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000420019264 240006359 /nfs/dbraw/zinc/00/63/59/240006359.db2.gz BHSHBSHPZBDINR-NSHDSACASA-N 1 3 312.439 0.102 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422458993 240157389 /nfs/dbraw/zinc/15/73/89/240157389.db2.gz XESRSPCQFMBFBM-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422458993 240157395 /nfs/dbraw/zinc/15/73/95/240157395.db2.gz XESRSPCQFMBFBM-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cnc(C)[n-]c2=O)CC[NH2+]CC1 ZINC000423033335 240189487 /nfs/dbraw/zinc/18/94/87/240189487.db2.gz OINRHOXXDHEHNT-LLVKDONJSA-N 1 3 322.409 0.902 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423386290 240197143 /nfs/dbraw/zinc/19/71/43/240197143.db2.gz HCJIFDSRAVGGLC-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000423580476 240215331 /nfs/dbraw/zinc/21/53/31/240215331.db2.gz RXLIBVIAEYAVSF-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)COC)cc2)CC1 ZINC000567677359 291368766 /nfs/dbraw/zinc/36/87/66/291368766.db2.gz ROOHMRXZFIPFHM-GOSISDBHSA-N 1 3 321.465 0.921 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000567695901 291370558 /nfs/dbraw/zinc/37/05/58/291370558.db2.gz IEQYXNFRXUSCGY-NQMMUZQISA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000567695901 291370560 /nfs/dbraw/zinc/37/05/60/291370560.db2.gz IEQYXNFRXUSCGY-NQMMUZQISA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000567695901 291370564 /nfs/dbraw/zinc/37/05/64/291370564.db2.gz IEQYXNFRXUSCGY-NQMMUZQISA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1 ZINC000567830959 291382402 /nfs/dbraw/zinc/38/24/02/291382402.db2.gz CMLUXRDONODUAR-SNVBAGLBSA-N 1 3 315.381 0.486 20 0 DCADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567990526 291396001 /nfs/dbraw/zinc/39/60/01/291396001.db2.gz FIIHLWNCTYBWLZ-CVEARBPZSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568293573 291421669 /nfs/dbraw/zinc/42/16/69/291421669.db2.gz AZSWQXHGMBEJGW-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000568294548 291422301 /nfs/dbraw/zinc/42/23/01/291422301.db2.gz VFZCLDSJFLRQAI-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO COCC[NH2+]CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000568982165 291456061 /nfs/dbraw/zinc/45/60/61/291456061.db2.gz JTOGTNZYKNKWEE-CQSZACIVSA-N 1 3 320.437 0.959 20 0 DCADHO CN(C)C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1 ZINC000569094630 291461284 /nfs/dbraw/zinc/46/12/84/291461284.db2.gz USSKNTRXCCWEQT-LJISPDSOSA-N 1 3 306.385 0.945 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000573460361 291634284 /nfs/dbraw/zinc/63/42/84/291634284.db2.gz SZCWESHHCAMPQZ-TZMCWYRMSA-N 1 3 310.442 0.077 20 0 DCADHO COCCN1CCC(NC(=O)C2([C@@H](C)[NH3+])CCOCC2)CC1 ZINC001646738863 1172502369 /nfs/dbraw/zinc/50/23/69/1172502369.db2.gz ATWBOJPPOBPYOD-CYBMUJFWSA-N 1 3 313.442 0.357 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105233540 194088190 /nfs/dbraw/zinc/08/81/90/194088190.db2.gz IGEUTYZEMUOAHH-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105233540 194088191 /nfs/dbraw/zinc/08/81/91/194088191.db2.gz IGEUTYZEMUOAHH-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000339582942 253108845 /nfs/dbraw/zinc/10/88/45/253108845.db2.gz RBQKJFFKSYNYKX-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000340784269 253302862 /nfs/dbraw/zinc/30/28/62/253302862.db2.gz WNBPVASSBCPCCW-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000346185855 254020842 /nfs/dbraw/zinc/02/08/42/254020842.db2.gz KXUOLFPLNHTKAF-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000346185855 254020846 /nfs/dbraw/zinc/02/08/46/254020846.db2.gz KXUOLFPLNHTKAF-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000346817966 254099393 /nfs/dbraw/zinc/09/93/93/254099393.db2.gz BUPCIEKJDRWVFO-UHFFFAOYSA-N 1 3 309.454 0.899 20 0 DCADHO Cc1[nH]nc2ncc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cc12 ZINC000347063694 254125836 /nfs/dbraw/zinc/12/58/36/254125836.db2.gz CMJAUXFTZGIFGT-ZDUSSCGKSA-N 1 3 316.409 0.553 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000347999235 254210775 /nfs/dbraw/zinc/21/07/75/254210775.db2.gz GFFWODWXLDYFAV-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000349903228 254302828 /nfs/dbraw/zinc/30/28/28/254302828.db2.gz GAMHOWMYVLDJKW-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000349903227 254302906 /nfs/dbraw/zinc/30/29/06/254302906.db2.gz GAMHOWMYVLDJKW-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000349909794 254303762 /nfs/dbraw/zinc/30/37/62/254303762.db2.gz ZODAAQSOJLGEOK-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351523423 254343022 /nfs/dbraw/zinc/34/30/22/254343022.db2.gz ODZAGWHQKMWSKG-CQSZACIVSA-N 1 3 318.421 0.863 20 0 DCADHO C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCCC[C@H]1C ZINC000351535171 254344433 /nfs/dbraw/zinc/34/44/33/254344433.db2.gz DICIGVCHKPODFQ-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000351803144 254370483 /nfs/dbraw/zinc/37/04/83/254370483.db2.gz DRNGZTBEPQPJQF-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000351803144 254370485 /nfs/dbraw/zinc/37/04/85/254370485.db2.gz DRNGZTBEPQPJQF-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO COC[C@]1(C(=O)NCc2ccccc2CN(C)C)CC[NH2+]C1 ZINC000262518070 533207842 /nfs/dbraw/zinc/20/78/42/533207842.db2.gz NTEZZSMMHMJCOS-KRWDZBQOSA-N 1 3 305.422 0.991 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418433768 262277949 /nfs/dbraw/zinc/27/79/49/262277949.db2.gz DHQGJMZDRJEMCC-KGLIPLIRSA-N 1 3 300.447 0.506 20 0 DCADHO COCCNCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418504667 262279955 /nfs/dbraw/zinc/27/99/55/262279955.db2.gz CDJZJCHAKFUHAF-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000236683215 395895984 /nfs/dbraw/zinc/89/59/84/395895984.db2.gz FLCFLNRMRWISFI-BBRMVZONSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000237533156 395914496 /nfs/dbraw/zinc/91/44/96/395914496.db2.gz STHPQCRZZFENIH-HNNXBMFYSA-N 1 3 310.486 0.766 20 0 DCADHO CN(C[C@H]1CCOC1)CC1(C[N@H+](C)C[C@@H]2CCOC2)COC1 ZINC000119456777 395871370 /nfs/dbraw/zinc/87/13/70/395871370.db2.gz VHSUNQUQMNIKEF-IYBDPMFKSA-N 1 3 312.454 0.940 20 0 DCADHO CN(C[C@H]1CCOC1)CC1(C[N@@H+](C)C[C@@H]2CCOC2)COC1 ZINC000119456777 395871373 /nfs/dbraw/zinc/87/13/73/395871373.db2.gz VHSUNQUQMNIKEF-IYBDPMFKSA-N 1 3 312.454 0.940 20 0 DCADHO CN(C[C@@H]1CCOC1)CC1(C[N@H+](C)C[C@H]2CCOC2)COC1 ZINC000119456777 395871377 /nfs/dbraw/zinc/87/13/77/395871377.db2.gz VHSUNQUQMNIKEF-IYBDPMFKSA-N 1 3 312.454 0.940 20 0 DCADHO CN(C[C@@H]1CCOC1)CC1(C[N@@H+](C)C[C@H]2CCOC2)COC1 ZINC000119456777 395871381 /nfs/dbraw/zinc/87/13/81/395871381.db2.gz VHSUNQUQMNIKEF-IYBDPMFKSA-N 1 3 312.454 0.940 20 0 DCADHO CN(C)C[C@](C)(O)CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000119926109 395878830 /nfs/dbraw/zinc/87/88/30/395878830.db2.gz GWKRGKKNKQNTKX-MRXNPFEDSA-N 1 3 314.474 0.907 20 0 DCADHO COCC[NH+]1CCC(NC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000165846051 396088860 /nfs/dbraw/zinc/08/88/60/396088860.db2.gz ZRHUPWBYPLWJIS-UHFFFAOYSA-N 1 3 317.433 0.710 20 0 DCADHO COCCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@H]1C ZINC000278949859 396142331 /nfs/dbraw/zinc/14/23/31/396142331.db2.gz HAQOTAJQWLKESB-OLZOCXBDSA-N 1 3 321.425 0.279 20 0 DCADHO CCN(C)CCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000171202657 396111339 /nfs/dbraw/zinc/11/13/39/396111339.db2.gz KEXXSIGPLLUFIX-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262292013 396118873 /nfs/dbraw/zinc/11/88/73/396118873.db2.gz OUMIEUDOAIJEML-UHFFFAOYSA-N 1 3 305.426 0.562 20 0 DCADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N(C)C1CC1 ZINC000073215248 396143306 /nfs/dbraw/zinc/14/33/06/396143306.db2.gz KYUVZRQXOPKGHK-CYBMUJFWSA-N 1 3 312.458 0.879 20 0 DCADHO COCC1(C(=O)Nc2ccn(CCN(C)C)n2)CC[NH2+]CC1 ZINC000262401461 396135906 /nfs/dbraw/zinc/13/59/06/396135906.db2.gz REQISHDXKGZGQQ-UHFFFAOYSA-N 1 3 309.414 0.399 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000263243969 396208365 /nfs/dbraw/zinc/20/83/65/396208365.db2.gz MCIMSVVOCHVACX-HIFRSBDPSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000263251416 396209047 /nfs/dbraw/zinc/20/90/47/396209047.db2.gz OTGUGLUYNVBDHQ-DOMZBBRYSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000263251416 396209051 /nfs/dbraw/zinc/20/90/51/396209051.db2.gz OTGUGLUYNVBDHQ-DOMZBBRYSA-N 1 3 310.442 0.219 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC([NH3+])CC2)CC1=O ZINC000262492719 396146807 /nfs/dbraw/zinc/14/68/07/396146807.db2.gz AFJZESHMALMRGE-HIFRSBDPSA-N 1 3 322.453 0.269 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH2+]CC2)CC1=O ZINC000262503822 396148194 /nfs/dbraw/zinc/14/81/94/396148194.db2.gz IYHBYLMODVGOQB-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](C(=O)N1CCCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178982381 396216866 /nfs/dbraw/zinc/21/68/66/396216866.db2.gz RMHMDSOBTFYDSU-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO Cc1nn(C)c2ncc(C[NH2+]CC3(O)CCN(C)CC3)cc12 ZINC000265840327 396345334 /nfs/dbraw/zinc/34/53/34/396345334.db2.gz FYYJKOWPSHTFQY-UHFFFAOYSA-N 1 3 303.410 0.823 20 0 DCADHO C[C@H](C[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000286279984 396385313 /nfs/dbraw/zinc/38/53/13/396385313.db2.gz WKOMSRGGIHTERI-MRXNPFEDSA-N 1 3 318.465 0.905 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000269297656 396405267 /nfs/dbraw/zinc/40/52/67/396405267.db2.gz ORYNIJWLNQLCQS-KRWDZBQOSA-N 1 3 318.465 0.873 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C1 ZINC000372098144 396487784 /nfs/dbraw/zinc/48/77/84/396487784.db2.gz HBMHQQHLAVSYBR-INIZCTEOSA-N 1 3 308.470 0.615 20 0 DCADHO CC[NH2+]CCCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000581300102 396542172 /nfs/dbraw/zinc/54/21/72/396542172.db2.gz OFKITMVESDUCPP-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000561163828 396632086 /nfs/dbraw/zinc/63/20/86/396632086.db2.gz RMLITKVJEFYWKH-OAHLLOKOSA-N 1 3 313.490 0.783 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000561213212 396634338 /nfs/dbraw/zinc/63/43/38/396634338.db2.gz ZQZPKUKWUUJEOP-KBMXLJTQSA-N 1 3 300.406 0.877 20 0 DCADHO COC(=O)CCN1CC[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895328 396677903 /nfs/dbraw/zinc/67/79/03/396677903.db2.gz IXCKEKQOVOLVKO-HUUCEWRRSA-N 1 3 323.437 0.614 20 0 DCADHO COC(=O)CCN1CC[C@H](N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000595896653 396678438 /nfs/dbraw/zinc/67/84/38/396678438.db2.gz SUNQPWGDAGVKDW-XEZPLFJOSA-N 1 3 309.410 0.211 20 0 DCADHO COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000595896653 396678440 /nfs/dbraw/zinc/67/84/40/396678440.db2.gz SUNQPWGDAGVKDW-XEZPLFJOSA-N 1 3 309.410 0.211 20 0 DCADHO COC(=O)CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000595896653 396678443 /nfs/dbraw/zinc/67/84/43/396678443.db2.gz SUNQPWGDAGVKDW-XEZPLFJOSA-N 1 3 309.410 0.211 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CCCC[NH3+])nn1 ZINC000563088922 396700598 /nfs/dbraw/zinc/70/05/98/396700598.db2.gz FKWNKSUMVKTRTP-KGLIPLIRSA-N 1 3 320.441 0.716 20 0 DCADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000563440707 396736490 /nfs/dbraw/zinc/73/64/90/396736490.db2.gz JPBXCWCITJFBMV-GDLCADMTSA-N 1 3 302.378 0.090 20 0 DCADHO Cn1nccc1[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000629579159 396796239 /nfs/dbraw/zinc/79/62/39/396796239.db2.gz APVUFIXXHHNPRC-YCPHGPKFSA-N 1 3 308.426 0.687 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000563581317 396751550 /nfs/dbraw/zinc/75/15/50/396751550.db2.gz LWZYOYSGHNFZRB-QLFBSQMISA-N 1 3 310.442 0.394 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634258277 396822908 /nfs/dbraw/zinc/82/29/08/396822908.db2.gz DFNSSOBCOPEYIK-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCN(c2ccnc(NC(=O)[C@H]3CC[N@H+](C)C3)c2)CC1 ZINC000634194866 396811883 /nfs/dbraw/zinc/81/18/83/396811883.db2.gz XAJWQPXIOGQWKM-ZDUSSCGKSA-N 1 3 303.410 0.724 20 0 DCADHO CN1CCN(c2ccnc(NC(=O)[C@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000634194866 396811889 /nfs/dbraw/zinc/81/18/89/396811889.db2.gz XAJWQPXIOGQWKM-ZDUSSCGKSA-N 1 3 303.410 0.724 20 0 DCADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000564844270 396879054 /nfs/dbraw/zinc/87/90/54/396879054.db2.gz GWGFPOVQJTUPPD-NVXWUHKLSA-N 1 3 310.486 0.201 20 0 DCADHO CN1CCN(C[C@H](O)CN[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000564844270 396879063 /nfs/dbraw/zinc/87/90/63/396879063.db2.gz GWGFPOVQJTUPPD-NVXWUHKLSA-N 1 3 310.486 0.201 20 0 DCADHO CN1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000564844270 396879072 /nfs/dbraw/zinc/87/90/72/396879072.db2.gz GWGFPOVQJTUPPD-NVXWUHKLSA-N 1 3 310.486 0.201 20 0 DCADHO C[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000332020768 396880487 /nfs/dbraw/zinc/88/04/87/396880487.db2.gz QWHREXHUMYXWAS-HUUCEWRRSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@@H]1CC[C@H](CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)O1 ZINC000634688306 396898345 /nfs/dbraw/zinc/89/83/45/396898345.db2.gz OUUDAEMAPFPPHA-MIGQKNRLSA-N 1 3 322.453 0.774 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)[N@H+](C)C1CC1 ZINC000340252143 396967719 /nfs/dbraw/zinc/96/77/19/396967719.db2.gz GKBSOTPRFFHUQM-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)[N@@H+](C)C1CC1 ZINC000340252143 396967724 /nfs/dbraw/zinc/96/77/24/396967724.db2.gz GKBSOTPRFFHUQM-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000600981088 396980896 /nfs/dbraw/zinc/98/08/96/396980896.db2.gz SFIRSQIZCBUHAG-CABCVRRESA-N 1 3 322.453 0.411 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000600981088 396980900 /nfs/dbraw/zinc/98/09/00/396980900.db2.gz SFIRSQIZCBUHAG-CABCVRRESA-N 1 3 322.453 0.411 20 0 DCADHO CCNC(=O)NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344029609 397001378 /nfs/dbraw/zinc/00/13/78/397001378.db2.gz NLHMSEYBPJWWPP-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000571936835 397003747 /nfs/dbraw/zinc/00/37/47/397003747.db2.gz ICAKYRKPCPYLJW-UONOGXRCSA-N 1 3 314.426 0.201 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000571936835 397003748 /nfs/dbraw/zinc/00/37/48/397003748.db2.gz ICAKYRKPCPYLJW-UONOGXRCSA-N 1 3 314.426 0.201 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000572111619 397021602 /nfs/dbraw/zinc/02/16/02/397021602.db2.gz MQIOTMGUGIWBKV-KFWWJZLASA-N 1 3 322.453 0.126 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347520373 397031217 /nfs/dbraw/zinc/03/12/17/397031217.db2.gz OAJZTLSMANBEOI-UHFFFAOYSA-N 1 3 316.449 0.999 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000572599521 397075504 /nfs/dbraw/zinc/07/55/04/397075504.db2.gz ABISDQGVXMMIME-QWHCGFSZSA-N 1 3 300.447 0.864 20 0 DCADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000572720463 397087583 /nfs/dbraw/zinc/08/75/83/397087583.db2.gz QUTWYLVMWJPHMS-KGLIPLIRSA-N 1 3 322.457 0.925 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000612547824 397091574 /nfs/dbraw/zinc/09/15/74/397091574.db2.gz HGIIONXPJBPEIQ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH+](CC)CC)C1 ZINC000612552739 397093357 /nfs/dbraw/zinc/09/33/57/397093357.db2.gz QIGCCUAXVTVHLF-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H]1CN1CCCCC1 ZINC000351537083 397128559 /nfs/dbraw/zinc/12/85/59/397128559.db2.gz HZVWAQNPAJIANQ-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(CC2CC2)c1 ZINC000630931719 397137876 /nfs/dbraw/zinc/13/78/76/397137876.db2.gz UOMZTXNKTXXUMO-UHFFFAOYSA-N 1 3 307.442 0.859 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C1=CCN(C)CC1 ZINC000573167683 397139424 /nfs/dbraw/zinc/13/94/24/397139424.db2.gz UJQBRWXCKJQGQX-ZDUSSCGKSA-N 1 3 310.442 0.163 20 0 DCADHO CC[C@@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC000573325883 397158140 /nfs/dbraw/zinc/15/81/40/397158140.db2.gz WDMFHAMOTIXCCX-HIFRSBDPSA-N 1 3 306.414 0.433 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1(C)C ZINC000612988437 397173479 /nfs/dbraw/zinc/17/34/79/397173479.db2.gz CYFYPHKARDFVLP-CQSZACIVSA-N 1 3 323.485 0.454 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000574463759 397270942 /nfs/dbraw/zinc/27/09/42/397270942.db2.gz UZMVACPKXKSUAF-NVXWUHKLSA-N 1 3 305.422 0.428 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000574463759 397270947 /nfs/dbraw/zinc/27/09/47/397270947.db2.gz UZMVACPKXKSUAF-NVXWUHKLSA-N 1 3 305.422 0.428 20 0 DCADHO O=C([C@@H]1CCCN1C1CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478674 397277721 /nfs/dbraw/zinc/27/77/21/397277721.db2.gz FHCBSWVZMNDQJQ-HOTGVXAUSA-N 1 3 307.438 0.671 20 0 DCADHO O=C([C@@H]1CCCN1C1CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620478674 397277724 /nfs/dbraw/zinc/27/77/24/397277724.db2.gz FHCBSWVZMNDQJQ-HOTGVXAUSA-N 1 3 307.438 0.671 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000613957823 397352303 /nfs/dbraw/zinc/35/23/03/397352303.db2.gz TXNRSSNLOSRYDZ-XJFOESAGSA-N 1 3 314.474 0.676 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000613957823 397352305 /nfs/dbraw/zinc/35/23/05/397352305.db2.gz TXNRSSNLOSRYDZ-XJFOESAGSA-N 1 3 314.474 0.676 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000620933598 397323050 /nfs/dbraw/zinc/32/30/50/397323050.db2.gz UAZOIPXURBOGRO-KRWDZBQOSA-N 1 3 320.481 0.615 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000471647116 397449492 /nfs/dbraw/zinc/44/94/92/397449492.db2.gz OUDVVJAAZYRUEJ-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000471647116 397449496 /nfs/dbraw/zinc/44/94/96/397449496.db2.gz OUDVVJAAZYRUEJ-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CCOC(=O)c1cc(CN[C@H](C)CC[NH+]2CCN(C)CC2)on1 ZINC000602619678 397451890 /nfs/dbraw/zinc/45/18/90/397451890.db2.gz PDEJBBNPBBSNGQ-CYBMUJFWSA-N 1 3 324.425 0.967 20 0 DCADHO CN(C)C/C=C/C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000492178320 397516473 /nfs/dbraw/zinc/51/64/73/397516473.db2.gz CSICPKMHBPHABH-RTWZZBQXSA-N 1 3 309.454 0.988 20 0 DCADHO C[NH+](C)C/C=C\C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000491905772 397506713 /nfs/dbraw/zinc/50/67/13/397506713.db2.gz FNHNGKUXCKORIZ-OTIVFRFGSA-N 1 3 317.433 0.857 20 0 DCADHO C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[C@H]1N1CCN(C)CC1 ZINC000371355875 397575210 /nfs/dbraw/zinc/57/52/10/397575210.db2.gz SOTFDNFAYCMESV-DOOVEFGSSA-N 1 3 308.470 0.589 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])N(C)Cc1ccccc1 ZINC000579734781 397591500 /nfs/dbraw/zinc/59/15/00/397591500.db2.gz NRSBCIQFBATWPQ-AWEZNQCLSA-N 1 3 320.437 0.430 20 0 DCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNCC2 ZINC000579949836 397599431 /nfs/dbraw/zinc/59/94/31/397599431.db2.gz CERKOXDOERSZSU-AWEZNQCLSA-N 1 3 302.378 0.139 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130143225 158293766 /nfs/dbraw/zinc/29/37/66/158293766.db2.gz IHHXUYNIJBJVIC-CQSZACIVSA-N 1 3 300.447 0.548 20 0 DCADHO COCCN1CCC(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000133564642 158321150 /nfs/dbraw/zinc/32/11/50/158321150.db2.gz BZLYQIHOXLNQBH-ZDUSSCGKSA-N 1 3 301.456 0.309 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000134007593 158323142 /nfs/dbraw/zinc/32/31/42/158323142.db2.gz PBXYLDVLNXHKEM-KGLIPLIRSA-N 1 3 314.499 0.224 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000167406792 158368740 /nfs/dbraw/zinc/36/87/40/158368740.db2.gz MSOBMEVMMKDYLB-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000330127149 159144074 /nfs/dbraw/zinc/14/40/74/159144074.db2.gz DDPBGVQYUJNWJS-STQMWFEESA-N 1 3 308.426 0.985 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000330127149 159144076 /nfs/dbraw/zinc/14/40/76/159144076.db2.gz DDPBGVQYUJNWJS-STQMWFEESA-N 1 3 308.426 0.985 20 0 DCADHO CCN(CCO)CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000187105912 287058565 /nfs/dbraw/zinc/05/85/65/287058565.db2.gz BVRGPAAVGRRFHV-UHFFFAOYSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000187123474 287058637 /nfs/dbraw/zinc/05/86/37/287058637.db2.gz BIIUZUPPYYHVPV-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000187123474 287058638 /nfs/dbraw/zinc/05/86/38/287058638.db2.gz BIIUZUPPYYHVPV-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000347058724 287159388 /nfs/dbraw/zinc/15/93/88/287159388.db2.gz XRZQKDMHYCNYAM-CABCVRRESA-N 1 3 314.474 0.863 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000347058724 287159389 /nfs/dbraw/zinc/15/93/89/287159389.db2.gz XRZQKDMHYCNYAM-CABCVRRESA-N 1 3 314.474 0.863 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000418343914 287244932 /nfs/dbraw/zinc/24/49/32/287244932.db2.gz RLMWVYQJGUMJMO-LSDHHAIUSA-N 1 3 312.458 0.378 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N1CCC(C)CC1 ZINC000419145324 287266823 /nfs/dbraw/zinc/26/68/23/287266823.db2.gz ACUHHGJOSMIJQN-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419146038 287267309 /nfs/dbraw/zinc/26/73/09/287267309.db2.gz HILQXVRQMFNSSD-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)([NH3+])CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419227063 287275521 /nfs/dbraw/zinc/27/55/21/287275521.db2.gz JTBFMJVJLAPPFO-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000419240622 287276649 /nfs/dbraw/zinc/27/66/49/287276649.db2.gz PCQWFRINQUVGNX-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000419338444 287281489 /nfs/dbraw/zinc/28/14/89/287281489.db2.gz SOOFDOCYFFWORN-SCRDCRAPSA-N 1 3 310.442 0.075 20 0 DCADHO CC(C)N(C(=O)[C@H](C)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000420348142 287293885 /nfs/dbraw/zinc/29/38/85/287293885.db2.gz JTWOPPTWRLOTJV-JKSUJKDBSA-N 1 3 310.486 1.000 20 0 DCADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000342408996 415168816 /nfs/dbraw/zinc/16/88/16/415168816.db2.gz OAVVNUCIYQLDRK-OWCLPIDISA-N 1 3 306.454 0.462 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000332099929 415242237 /nfs/dbraw/zinc/24/22/37/415242237.db2.gz QZLHBCIIYXJAPG-ZNMIVQPWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1=CC[N@H+](C)CC1 ZINC000332113350 415250298 /nfs/dbraw/zinc/25/02/98/415250298.db2.gz WPIVGHCSANHEIO-HIFRSBDPSA-N 1 3 320.437 0.060 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000332113350 415250303 /nfs/dbraw/zinc/25/03/03/415250303.db2.gz WPIVGHCSANHEIO-HIFRSBDPSA-N 1 3 320.437 0.060 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](N)CCC(=O)OC)CC1 ZINC000342698655 415262260 /nfs/dbraw/zinc/26/22/60/415262260.db2.gz HFFDBEQXPOJJPN-AWEZNQCLSA-N 1 3 313.442 0.847 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000332341750 415354627 /nfs/dbraw/zinc/35/46/27/415354627.db2.gz STURKKATUPOKSQ-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000332194753 415290517 /nfs/dbraw/zinc/29/05/17/415290517.db2.gz BSKVSYKNBRKPHF-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCC[C@@H]1C(N)=O ZINC000422891901 287301978 /nfs/dbraw/zinc/30/19/78/287301978.db2.gz WSCINQRYZDQQIL-BHYGNILZSA-N 1 3 318.465 0.874 20 0 DCADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000422891901 287301979 /nfs/dbraw/zinc/30/19/79/287301979.db2.gz WSCINQRYZDQQIL-BHYGNILZSA-N 1 3 318.465 0.874 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC000051236003 415315223 /nfs/dbraw/zinc/31/52/23/415315223.db2.gz ZOWPMXHRJOINDG-UHFFFAOYSA-N 1 3 310.442 0.587 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C2(C)C[NH2+]C2)c1 ZINC000423357137 287305062 /nfs/dbraw/zinc/30/50/62/287305062.db2.gz LPBGVLWGDUOKRY-UHFFFAOYSA-N 1 3 318.421 0.204 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343160458 415480897 /nfs/dbraw/zinc/48/08/97/415480897.db2.gz SVHQBPIDDZZCKM-BRWVUGGUSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000332668200 415432514 /nfs/dbraw/zinc/43/25/14/415432514.db2.gz YVWDCPZXFJBZCH-KFWWJZLASA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278922279 415512182 /nfs/dbraw/zinc/51/21/82/415512182.db2.gz DGJAALYNOWSGFL-UPJWGTAASA-N 1 3 303.410 0.795 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C1CC1 ZINC000343283288 415526791 /nfs/dbraw/zinc/52/67/91/415526791.db2.gz APRBVSFVSSJYBX-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C1CC1 ZINC000343283288 415526796 /nfs/dbraw/zinc/52/67/96/415526796.db2.gz APRBVSFVSSJYBX-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343296149 415542088 /nfs/dbraw/zinc/54/20/88/415542088.db2.gz DENIQUTYFORIGZ-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000333134272 415567120 /nfs/dbraw/zinc/56/71/20/415567120.db2.gz KBAKBNLZVQZEGB-OAGGEKHMSA-N 1 3 308.470 0.742 20 0 DCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000333134272 415567126 /nfs/dbraw/zinc/56/71/26/415567126.db2.gz KBAKBNLZVQZEGB-OAGGEKHMSA-N 1 3 308.470 0.742 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343403699 415588905 /nfs/dbraw/zinc/58/89/05/415588905.db2.gz NJYWLGMQYFPIIW-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343403699 415588911 /nfs/dbraw/zinc/58/89/11/415588911.db2.gz NJYWLGMQYFPIIW-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353581368 415593706 /nfs/dbraw/zinc/59/37/06/415593706.db2.gz WZRJCZSVMCVRMF-HOTGVXAUSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353581368 415593712 /nfs/dbraw/zinc/59/37/12/415593712.db2.gz WZRJCZSVMCVRMF-HOTGVXAUSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000102186407 415597509 /nfs/dbraw/zinc/59/75/09/415597509.db2.gz BJMUBEJUMKLMAF-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000102186407 415597515 /nfs/dbraw/zinc/59/75/15/415597515.db2.gz BJMUBEJUMKLMAF-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000333269329 415597979 /nfs/dbraw/zinc/59/79/79/415597979.db2.gz KEXBDAXTSAGXHP-JKSUJKDBSA-N 1 3 311.470 0.975 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@]3(C)CCC[NH2+]C3)C[C@H]2N)cn1 ZINC000333465822 415659552 /nfs/dbraw/zinc/65/95/52/415659552.db2.gz HJKVHDTWVQARIS-SQWLQELKSA-N 1 3 320.441 0.246 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CNCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333483639 415664085 /nfs/dbraw/zinc/66/40/85/415664085.db2.gz BRQROLKSJDCBSS-LZWOXQAQSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CNCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333483639 415664093 /nfs/dbraw/zinc/66/40/93/415664093.db2.gz BRQROLKSJDCBSS-LZWOXQAQSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@@H]1C[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CN1C1CC1 ZINC000333610094 415694076 /nfs/dbraw/zinc/69/40/76/415694076.db2.gz RVIXMXYUWUSMOO-YPMHNXCESA-N 1 3 304.442 0.987 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333689182 415716403 /nfs/dbraw/zinc/71/64/03/415716403.db2.gz POBAOZQQTFOREO-AWEZNQCLSA-N 1 3 311.474 0.454 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)CN(C)C(C)C ZINC000119321284 415741284 /nfs/dbraw/zinc/74/12/84/415741284.db2.gz RHNFFOSNQRGSRC-UHFFFAOYSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@H+](C)C(C)C ZINC000119321284 415741288 /nfs/dbraw/zinc/74/12/88/415741288.db2.gz RHNFFOSNQRGSRC-UHFFFAOYSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC000119321284 415741293 /nfs/dbraw/zinc/74/12/93/415741293.db2.gz RHNFFOSNQRGSRC-UHFFFAOYSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[N@H+](C)C(C)C ZINC000119321284 415741299 /nfs/dbraw/zinc/74/12/99/415741299.db2.gz RHNFFOSNQRGSRC-UHFFFAOYSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000119321284 415741303 /nfs/dbraw/zinc/74/13/03/415741303.db2.gz RHNFFOSNQRGSRC-UHFFFAOYSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000333811902 415742903 /nfs/dbraw/zinc/74/29/03/415742903.db2.gz PRYOOMLHPPWOEO-HUUCEWRRSA-N 1 3 312.458 0.785 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000336860213 415841305 /nfs/dbraw/zinc/84/13/05/415841305.db2.gz OUJHZHVGLNOMGO-DZGCQCFKSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000336860213 415841310 /nfs/dbraw/zinc/84/13/10/415841310.db2.gz OUJHZHVGLNOMGO-DZGCQCFKSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000336858933 415842482 /nfs/dbraw/zinc/84/24/82/415842482.db2.gz CWYHAIABKOLTKO-UKRRQHHQSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](O)Cn1cccn1 ZINC000344143731 415847884 /nfs/dbraw/zinc/84/78/84/415847884.db2.gz NOBUQOOYBYUPAZ-KRWDZBQOSA-N 1 3 323.485 0.594 20 0 DCADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](O)Cn1cccn1 ZINC000344143731 415847891 /nfs/dbraw/zinc/84/78/91/415847891.db2.gz NOBUQOOYBYUPAZ-KRWDZBQOSA-N 1 3 323.485 0.594 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000126203966 415874532 /nfs/dbraw/zinc/87/45/32/415874532.db2.gz APVRCMKENNLYFD-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000126203966 415874538 /nfs/dbraw/zinc/87/45/38/415874538.db2.gz APVRCMKENNLYFD-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000356204350 415880579 /nfs/dbraw/zinc/88/05/79/415880579.db2.gz MLVDMHZBRQWSLJ-CABCVRRESA-N 1 3 303.410 0.841 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000356204350 415880584 /nfs/dbraw/zinc/88/05/84/415880584.db2.gz MLVDMHZBRQWSLJ-CABCVRRESA-N 1 3 303.410 0.841 20 0 DCADHO Cc1cncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130601947 415920805 /nfs/dbraw/zinc/92/08/05/415920805.db2.gz TZCQCGMMNKPUOY-UHFFFAOYSA-N 1 3 321.425 0.280 20 0 DCADHO CC(C)N1CCN(CCC[NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000337310883 415940923 /nfs/dbraw/zinc/94/09/23/415940923.db2.gz BQJVYESHNCSBNC-QGZVFWFLSA-N 1 3 313.486 0.780 20 0 DCADHO CNCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000357357253 416065638 /nfs/dbraw/zinc/06/56/38/416065638.db2.gz SJXQVGBNZDFVOR-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000168376188 416023954 /nfs/dbraw/zinc/02/39/54/416023954.db2.gz ADJFGRNUAFQZDA-ZDUSSCGKSA-N 1 3 320.437 0.450 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357930622 416155392 /nfs/dbraw/zinc/15/53/92/416155392.db2.gz OQGAGVOVHBZBPQ-OEAJRASXSA-N 1 3 303.406 0.661 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339304864 416155971 /nfs/dbraw/zinc/15/59/71/416155971.db2.gz MZFASAOURYEARH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339304864 416155975 /nfs/dbraw/zinc/15/59/75/416155975.db2.gz MZFASAOURYEARH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000358134875 416199274 /nfs/dbraw/zinc/19/92/74/416199274.db2.gz QTPQVBYXJKGLMJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000358134875 416199280 /nfs/dbraw/zinc/19/92/80/416199280.db2.gz QTPQVBYXJKGLMJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000341600039 416212714 /nfs/dbraw/zinc/21/27/14/416212714.db2.gz AKZQBAVDLKLVEY-UKRRQHHQSA-N 1 3 324.469 0.879 20 0 DCADHO O=S1(=O)CCC[C@@H]([NH2+]CCCCN2CCC[C@@H]2CO)C1 ZINC000341695173 416223556 /nfs/dbraw/zinc/22/35/56/416223556.db2.gz JMRFIHCHZLDHRP-ZIAGYGMSSA-N 1 3 304.456 0.390 20 0 DCADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1nccn1C ZINC000341704199 416225912 /nfs/dbraw/zinc/22/59/12/416225912.db2.gz DSPKXDBGVYTPKG-MRXNPFEDSA-N 1 3 323.485 0.851 20 0 DCADHO C[C@H](CN(C)C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000358524279 416250909 /nfs/dbraw/zinc/25/09/09/416250909.db2.gz MQLQQGWGPZZHBT-CYBMUJFWSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@H](CN(C)C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000358524279 416250912 /nfs/dbraw/zinc/25/09/12/416250912.db2.gz MQLQQGWGPZZHBT-CYBMUJFWSA-N 1 3 300.447 0.425 20 0 DCADHO CCN1CCN(CCC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000183245518 416238538 /nfs/dbraw/zinc/23/85/38/416238538.db2.gz LISQZZZRQXFNJG-UHFFFAOYSA-N 1 3 320.437 0.990 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000359261079 416317865 /nfs/dbraw/zinc/31/78/65/416317865.db2.gz JSJPOPRMVRWDNR-UONOGXRCSA-N 1 3 324.469 0.600 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000359261079 416317866 /nfs/dbraw/zinc/31/78/66/416317866.db2.gz JSJPOPRMVRWDNR-UONOGXRCSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C1CC1 ZINC000342070588 416279191 /nfs/dbraw/zinc/27/91/91/416279191.db2.gz FMBDRKISLNDQFL-UPJWGTAASA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C1CC1 ZINC000342070588 416279195 /nfs/dbraw/zinc/27/91/95/416279195.db2.gz FMBDRKISLNDQFL-UPJWGTAASA-N 1 3 310.442 0.184 20 0 DCADHO COC(=O)C(C)(C)CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262101676 416336114 /nfs/dbraw/zinc/33/61/14/416336114.db2.gz VOUZMJJGQBMUGE-ZDUSSCGKSA-N 1 3 313.442 0.895 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C(C)(C)[NH3+])c1 ZINC000263264781 416337437 /nfs/dbraw/zinc/33/74/37/416337437.db2.gz NGUZQPLZYPPAHQ-UHFFFAOYSA-N 1 3 306.410 0.332 20 0 DCADHO CN(CCN)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415875518 416357190 /nfs/dbraw/zinc/35/71/90/416357190.db2.gz DNRDRBHIVOYDTP-UHFFFAOYSA-N 1 3 318.421 0.681 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419920386 416414920 /nfs/dbraw/zinc/41/49/20/416414920.db2.gz WXJQXMNGIJTNKU-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCCN2CCN(C)CC2)CC1 ZINC000360185163 416378188 /nfs/dbraw/zinc/37/81/88/416378188.db2.gz XGHULQMMNGDEBU-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418451928 416386828 /nfs/dbraw/zinc/38/68/28/416386828.db2.gz WQOCRVWCDQXHCS-KGLIPLIRSA-N 1 3 300.447 0.506 20 0 DCADHO [NH3+][C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000418442346 416387228 /nfs/dbraw/zinc/38/72/28/416387228.db2.gz DOVDAIUUGSBIFL-CVEARBPZSA-N 1 3 320.437 0.832 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCCN1CCCO ZINC000418441964 416387256 /nfs/dbraw/zinc/38/72/56/416387256.db2.gz SDWFLHCMLSJGII-CYBMUJFWSA-N 1 3 300.447 0.650 20 0 DCADHO CCC[NH2+]CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418492838 416387726 /nfs/dbraw/zinc/38/77/26/416387726.db2.gz WJVAZZUZAQZZIU-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO COC[C@]1(CNC(=O)N[C@@H]2CNCCC2(F)F)CCC[NH2+]1 ZINC000418630261 416388026 /nfs/dbraw/zinc/38/80/26/416388026.db2.gz FHCBMBQBKXZCID-ZYHUDNBSSA-N 1 3 306.357 0.051 20 0 DCADHO C[NH2+][C@@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418628930 416388131 /nfs/dbraw/zinc/38/81/31/416388131.db2.gz PTUIQJCBRISDAT-KBPBESRZSA-N 1 3 311.474 0.404 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419288227 416398812 /nfs/dbraw/zinc/39/88/12/416398812.db2.gz RLBGGKQHWJMIMS-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C(=O)C(=O)NCCN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000419415646 416401446 /nfs/dbraw/zinc/40/14/46/416401446.db2.gz VNTRONSAMCKWCL-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000583574887 416475187 /nfs/dbraw/zinc/47/51/87/416475187.db2.gz MAXUZPJSZGOEFA-VXGBXAGGSA-N 1 3 300.447 0.336 20 0 DCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000583574884 416476054 /nfs/dbraw/zinc/47/60/54/416476054.db2.gz MAXUZPJSZGOEFA-NEPJUHHUSA-N 1 3 300.447 0.336 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000423220356 416478123 /nfs/dbraw/zinc/47/81/23/416478123.db2.gz YFRNVDPQLGXZQE-CQSZACIVSA-N 1 3 312.458 0.372 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000423220024 416478514 /nfs/dbraw/zinc/47/85/14/416478514.db2.gz XTIMLQLNZIDORD-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)N(C)CCN)C2)CC1 ZINC000423201309 416478647 /nfs/dbraw/zinc/47/86/47/416478647.db2.gz ICJDFDFZRDZSIM-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO COCCN(C)CCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423327601 416491281 /nfs/dbraw/zinc/49/12/81/416491281.db2.gz NMGCDFFLDKMDIO-HNNXBMFYSA-N 1 3 323.441 0.506 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000422326528 416426167 /nfs/dbraw/zinc/42/61/67/416426167.db2.gz BCZGUWWOQZFQRP-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@@H](C)C1 ZINC000361229217 416426763 /nfs/dbraw/zinc/42/67/63/416426763.db2.gz LYFUSKHIHQDJHZ-XHSDSOJGSA-N 1 3 301.475 0.636 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422609996 416442049 /nfs/dbraw/zinc/44/20/49/416442049.db2.gz XKWWSPJCQLSYGT-AWEZNQCLSA-N 1 3 313.490 0.687 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)[C@@H]1CN ZINC000423726124 416549554 /nfs/dbraw/zinc/54/95/54/416549554.db2.gz IDXQKWHYMDXRIT-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000423729769 416551239 /nfs/dbraw/zinc/55/12/39/416551239.db2.gz VQVSKXFATVDFKK-ZIAGYGMSSA-N 1 3 312.458 0.371 20 0 DCADHO CN(CCCN1CCCC1=O)CC[N@H+](C)C1CCN(C)CC1 ZINC000537032479 416553161 /nfs/dbraw/zinc/55/31/61/416553161.db2.gz ORQIZCYQSKWKQH-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CN(CCCN1CCCC1=O)CC[N@@H+](C)C1CCN(C)CC1 ZINC000537032479 416553163 /nfs/dbraw/zinc/55/31/63/416553163.db2.gz ORQIZCYQSKWKQH-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCCC[C@H]1C ZINC000423334066 416494483 /nfs/dbraw/zinc/49/44/83/416494483.db2.gz QJZAAUXTLFJCQR-CHWSQXEVSA-N 1 3 308.430 0.620 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423371057 416498905 /nfs/dbraw/zinc/49/89/05/416498905.db2.gz HHSRPCSEPOPXMW-ZDUSSCGKSA-N 1 3 308.430 0.621 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423760622 416560892 /nfs/dbraw/zinc/56/08/92/416560892.db2.gz QKXHEJXEHODURI-HZPDHXFCSA-N 1 3 310.486 0.990 20 0 DCADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnccc1N ZINC000423400844 416502574 /nfs/dbraw/zinc/50/25/74/416502574.db2.gz VHPWYIKOCPTZOR-GWCFXTLKSA-N 1 3 317.359 0.981 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458820139 416504714 /nfs/dbraw/zinc/50/47/14/416504714.db2.gz WOPKPDZIXJONKV-LSDHHAIUSA-N 1 3 314.474 0.861 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458820139 416504719 /nfs/dbraw/zinc/50/47/19/416504719.db2.gz WOPKPDZIXJONKV-LSDHHAIUSA-N 1 3 314.474 0.861 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N[C@H]2CCN(CC3CCCC3)C2)nn1 ZINC000423416460 416508427 /nfs/dbraw/zinc/50/84/27/416508427.db2.gz QOZBKTMTDYJOTI-AWEZNQCLSA-N 1 3 320.441 0.621 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@H]2CN3CCN2CCC3)CCCCC1 ZINC000534996604 416511214 /nfs/dbraw/zinc/51/12/14/416511214.db2.gz LJSBCPINJVQHRG-OAHLLOKOSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423437521 416511502 /nfs/dbraw/zinc/51/15/02/416511502.db2.gz UHBAQVWWBULAQI-BZUAXINKSA-N 1 3 310.486 0.764 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423516218 416519121 /nfs/dbraw/zinc/51/91/21/416519121.db2.gz SZAAPZJAPRYCMV-ZIAGYGMSSA-N 1 3 312.458 0.228 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000423769922 416564285 /nfs/dbraw/zinc/56/42/85/416564285.db2.gz CQPVLKCNYLYION-XZDPQHSOSA-N 1 3 303.406 0.346 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CN1C1CC1 ZINC000424160853 416620919 /nfs/dbraw/zinc/62/09/19/416620919.db2.gz XLOHBXKTWABRJC-BZPMIXESSA-N 1 3 318.425 0.558 20 0 DCADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424229581 416629894 /nfs/dbraw/zinc/62/98/94/416629894.db2.gz XPZPJYRKZZKRGA-LXTVHRRPSA-N 1 3 305.426 0.307 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c1 ZINC000424453508 416646286 /nfs/dbraw/zinc/64/62/86/416646286.db2.gz KIJIJZPNCOLIDY-HNNXBMFYSA-N 1 3 318.421 0.849 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])CN1CCN(C)CC1 ZINC000424463730 416647912 /nfs/dbraw/zinc/64/79/12/416647912.db2.gz OPPQIOYLGPLZEG-RBSFLKMASA-N 1 3 311.474 0.439 20 0 DCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000641247788 416751042 /nfs/dbraw/zinc/75/10/42/416751042.db2.gz BBIHQWOVMAMBNK-ZFWWWQNUSA-N 1 3 303.410 0.911 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000515386206 416699641 /nfs/dbraw/zinc/69/96/41/416699641.db2.gz IRKVFHYAGLHEEF-HUUCEWRRSA-N 1 3 308.470 0.661 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](C2CC2)CC1 ZINC000369028296 416718305 /nfs/dbraw/zinc/71/83/05/416718305.db2.gz WBNFOEFYCYCQSL-JKSUJKDBSA-N 1 3 322.453 0.776 20 0 DCADHO CC1CCN(CC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000442970996 416723090 /nfs/dbraw/zinc/72/30/90/416723090.db2.gz XUINKVIRPKSNHY-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CC1CCN(CC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442970996 416723092 /nfs/dbraw/zinc/72/30/92/416723092.db2.gz XUINKVIRPKSNHY-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CC1CCN(CC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442970996 416723094 /nfs/dbraw/zinc/72/30/94/416723094.db2.gz XUINKVIRPKSNHY-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057116 416729195 /nfs/dbraw/zinc/72/91/95/416729195.db2.gz FNXQZEQPBFVRKD-CHWSQXEVSA-N 1 3 310.442 0.160 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631940291 416818442 /nfs/dbraw/zinc/81/84/42/416818442.db2.gz SIOMKBZMMPITEA-LSDHHAIUSA-N 1 3 317.499 0.980 20 0 DCADHO C[C@@H]1CCN(S(=O)(=O)CCCN2CCCC2)C[C@H]1C[NH3+] ZINC000631943989 416820572 /nfs/dbraw/zinc/82/05/72/416820572.db2.gz KTSMMCDNDBFNND-ZIAGYGMSSA-N 1 3 303.472 0.719 20 0 DCADHO C[C@H]1CCN(S(=O)(=O)CCCN2CCCC2)C[C@H]1C[NH3+] ZINC000631943988 416821823 /nfs/dbraw/zinc/82/18/23/416821823.db2.gz KTSMMCDNDBFNND-UONOGXRCSA-N 1 3 303.472 0.719 20 0 DCADHO O=C(CNC[C@H]1CCCO1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000518735709 416870195 /nfs/dbraw/zinc/87/01/95/416870195.db2.gz WXGGWXFQRXBSET-OWCLPIDISA-N 1 3 303.406 0.627 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)[C@H]2C1 ZINC000518766552 416873991 /nfs/dbraw/zinc/87/39/91/416873991.db2.gz LPEUJQOHAKQMQP-KBMXLJTQSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H]1C[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)CCN1C ZINC000632029401 416874978 /nfs/dbraw/zinc/87/49/78/416874978.db2.gz CYLZZHOCWVYBKY-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000631960120 416833065 /nfs/dbraw/zinc/83/30/65/416833065.db2.gz JBAMFROUNBNKQR-OAHLLOKOSA-N 1 3 323.441 0.021 20 0 DCADHO CCOCC[C@@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000444668226 416856661 /nfs/dbraw/zinc/85/66/61/416856661.db2.gz ZFHGLWBHWKUIEF-MRXNPFEDSA-N 1 3 301.475 0.732 20 0 DCADHO CCOCC[C@@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000444668226 416856667 /nfs/dbraw/zinc/85/66/67/416856667.db2.gz ZFHGLWBHWKUIEF-MRXNPFEDSA-N 1 3 301.475 0.732 20 0 DCADHO O=C(CCNCCC[NH+]1CCC(O)CC1)Nc1cccnc1 ZINC000564976156 416900557 /nfs/dbraw/zinc/90/05/57/416900557.db2.gz RBANKUFAVNVHEA-UHFFFAOYSA-N 1 3 306.410 0.847 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000371534465 416915098 /nfs/dbraw/zinc/91/50/98/416915098.db2.gz NYIXTLFTTLNXRD-UONOGXRCSA-N 1 3 320.441 1.003 20 0 DCADHO C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(CC[NH3+])CC1 ZINC000565096349 416923088 /nfs/dbraw/zinc/92/30/88/416923088.db2.gz OPMBVNDCRQXVOY-GFCCVEGCSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624023401 416939817 /nfs/dbraw/zinc/93/98/17/416939817.db2.gz YJNPFRZODXYIFX-DGCLKSJQSA-N 1 3 313.409 0.441 20 0 DCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624023401 416939825 /nfs/dbraw/zinc/93/98/25/416939825.db2.gz YJNPFRZODXYIFX-DGCLKSJQSA-N 1 3 313.409 0.441 20 0 DCADHO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)C1=CCN(C)CC1 ZINC000521614493 417019815 /nfs/dbraw/zinc/01/98/15/417019815.db2.gz RJKLTDABOVIOHO-PNBKFKSVSA-N 1 3 311.470 0.697 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000624383014 417022290 /nfs/dbraw/zinc/02/22/90/417022290.db2.gz WUDNWLKFLGZZEW-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000624383014 417022295 /nfs/dbraw/zinc/02/22/95/417022295.db2.gz WUDNWLKFLGZZEW-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)C(=O)NCCN1CCCCC1 ZINC000565831614 417024213 /nfs/dbraw/zinc/02/42/13/417024213.db2.gz AZBKCPZCKCTYJM-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])c1ccccc1 ZINC000642098623 417028205 /nfs/dbraw/zinc/02/82/05/417028205.db2.gz NRJHMHHIXWOGGL-ZFWWWQNUSA-N 1 3 320.437 0.649 20 0 DCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)[NH3+])C1 ZINC000642119477 417029736 /nfs/dbraw/zinc/02/97/36/417029736.db2.gz TZIBWSCLOBKIPR-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1C[C@H](CN2CCN(c3ccc4nncn4n3)CC2)CC[NH2+]1 ZINC000521833502 417030606 /nfs/dbraw/zinc/03/06/06/417030606.db2.gz LQQWYRSCLINMTO-UONOGXRCSA-N 1 3 315.425 0.634 20 0 DCADHO [NH3+]CCCn1cc(C(=O)Nc2cccc3c2CCNC3)nn1 ZINC000520796256 416976520 /nfs/dbraw/zinc/97/65/20/416976520.db2.gz CQBMKUOIBNOAAQ-UHFFFAOYSA-N 1 3 300.366 0.525 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000521006888 416986329 /nfs/dbraw/zinc/98/63/29/416986329.db2.gz BZCWGVJXFGIIOY-ZIAGYGMSSA-N 1 3 312.458 0.737 20 0 DCADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637103735 416986945 /nfs/dbraw/zinc/98/69/45/416986945.db2.gz ONNCMCJSIFLVSA-UONOGXRCSA-N 1 3 312.458 0.473 20 0 DCADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637103735 416986950 /nfs/dbraw/zinc/98/69/50/416986950.db2.gz ONNCMCJSIFLVSA-UONOGXRCSA-N 1 3 312.458 0.473 20 0 DCADHO CC[NH+](CC)CCSCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000521116483 416993213 /nfs/dbraw/zinc/99/32/13/416993213.db2.gz MXWKYLKAPVEYSW-STQMWFEESA-N 1 3 303.472 0.195 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642785966 417100713 /nfs/dbraw/zinc/10/07/13/417100713.db2.gz UXOJAUQEOKURFW-AEGPPILISA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000624493644 417044695 /nfs/dbraw/zinc/04/46/95/417044695.db2.gz PSGQBLGTKJLKDU-UHFFFAOYSA-N 1 3 320.437 0.275 20 0 DCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000430598707 417045038 /nfs/dbraw/zinc/04/50/38/417045038.db2.gz OOXLWPMSFYICOS-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000637257797 417053063 /nfs/dbraw/zinc/05/30/63/417053063.db2.gz AKNFZSYIQBBYDJ-QLFBSQMISA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000637257797 417053067 /nfs/dbraw/zinc/05/30/67/417053067.db2.gz AKNFZSYIQBBYDJ-QLFBSQMISA-N 1 3 310.442 0.369 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642439470 417053381 /nfs/dbraw/zinc/05/33/81/417053381.db2.gz IELNAUJIVAWQSK-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000642440009 417054717 /nfs/dbraw/zinc/05/47/17/417054717.db2.gz VOOCSGIAXHAQFC-RBSFLKMASA-N 1 3 324.469 0.705 20 0 DCADHO COC1(C(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000430686242 417059884 /nfs/dbraw/zinc/05/98/84/417059884.db2.gz LRIUJLAZQZBLJG-CYBMUJFWSA-N 1 3 301.456 0.309 20 0 DCADHO O=C(COC1C[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000430851826 417074150 /nfs/dbraw/zinc/07/41/50/417074150.db2.gz QLVCTQQCULKAAK-CYBMUJFWSA-N 1 3 309.435 0.990 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])N1CCC(C)CC1 ZINC000642722813 417081073 /nfs/dbraw/zinc/08/10/73/417081073.db2.gz IJVAHTGRYUBNOC-KGLIPLIRSA-N 1 3 312.458 0.323 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NCC[NH2+]C3CC3)CC2)C1 ZINC000637363453 417081645 /nfs/dbraw/zinc/08/16/45/417081645.db2.gz ZPPUTKHJUXNORM-OAHLLOKOSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642733351 417085865 /nfs/dbraw/zinc/08/58/65/417085865.db2.gz GEYQXSOSXJPTAC-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCC[C@@H](C)C1 ZINC000642918842 417123530 /nfs/dbraw/zinc/12/35/30/417123530.db2.gz DYOKBKBUYFQEGO-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000637841507 417207282 /nfs/dbraw/zinc/20/72/82/417207282.db2.gz SMSJSPBURDRCNS-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000637841507 417207290 /nfs/dbraw/zinc/20/72/90/417207290.db2.gz SMSJSPBURDRCNS-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637851397 417207582 /nfs/dbraw/zinc/20/75/82/417207582.db2.gz HVAAFUJIVYFKSP-RDJZCZTQSA-N 1 3 306.454 0.935 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N(C)CCOCC[NH3+])CCCO1 ZINC000627020185 417212464 /nfs/dbraw/zinc/21/24/64/417212464.db2.gz DTQUPRCNBRYUOU-CQSZACIVSA-N 1 3 316.446 0.104 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000569101570 417213996 /nfs/dbraw/zinc/21/39/96/417213996.db2.gz XQWXXFUDGMSIDZ-MRXNPFEDSA-N 1 3 320.437 0.791 20 0 DCADHO C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N(C)C1CC1 ZINC000569114406 417215762 /nfs/dbraw/zinc/21/57/62/417215762.db2.gz DENYMADBEQLKDC-NWDGAFQWSA-N 1 3 306.414 0.243 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643500438 417227323 /nfs/dbraw/zinc/22/73/23/417227323.db2.gz WCGYKWQSGUDMER-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000410470914 417167542 /nfs/dbraw/zinc/16/75/42/417167542.db2.gz PNLAFJWGEWTVFE-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569605497 417270950 /nfs/dbraw/zinc/27/09/50/417270950.db2.gz KIKKKHXETTWIBT-RWMBFGLXSA-N 1 3 312.458 0.417 20 0 DCADHO CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643531780 417238524 /nfs/dbraw/zinc/23/85/24/417238524.db2.gz IEKKWFVXQGOOFM-OAHLLOKOSA-N 1 3 318.421 0.136 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](O)C23CCCC3)CC1 ZINC000569301714 417238709 /nfs/dbraw/zinc/23/87/09/417238709.db2.gz RVXABEBPMHEATA-HNNXBMFYSA-N 1 3 309.454 0.966 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC[C@@H]1[NH3+] ZINC000643542905 417241934 /nfs/dbraw/zinc/24/19/34/417241934.db2.gz XWCQMOWLUNRLQY-KGLIPLIRSA-N 1 3 312.458 0.371 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000643558718 417245577 /nfs/dbraw/zinc/24/55/77/417245577.db2.gz UBLPXUIKUKTHOX-KKUMJFAQSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)[C@@H]1C[NH3+] ZINC000643593274 417250571 /nfs/dbraw/zinc/25/05/71/417250571.db2.gz WBYSUUZSYZDFPA-QLFBSQMISA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707633 417296379 /nfs/dbraw/zinc/29/63/79/417296379.db2.gz MXNMUOSFPPYGIJ-HZSPNIEDSA-N 1 3 303.472 0.777 20 0 DCADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC[C@H]1CN1CCCCC1 ZINC000633083465 417349084 /nfs/dbraw/zinc/34/90/84/417349084.db2.gz VJXRDCCLCOPTMA-KKUMJFAQSA-N 1 3 320.437 0.036 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638147670 417353916 /nfs/dbraw/zinc/35/39/16/417353916.db2.gz XWJFJBRHRIKABV-BMFZPTHFSA-N 1 3 304.438 0.641 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000638157872 417361121 /nfs/dbraw/zinc/36/11/21/417361121.db2.gz GGHFDHRPCHDDNR-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000638157872 417361125 /nfs/dbraw/zinc/36/11/25/417361125.db2.gz GGHFDHRPCHDDNR-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)CN2CC[NH2+]CC2)c1 ZINC000638062057 417306899 /nfs/dbraw/zinc/30/68/99/417306899.db2.gz CRCABSVPLZNREH-UHFFFAOYSA-N 1 3 320.437 0.148 20 0 DCADHO COCCN(C)c1ccc(CNCCN2CC[NH2+]CC2)cn1 ZINC000414886534 417315004 /nfs/dbraw/zinc/31/50/04/417315004.db2.gz QADQAFVUSOIGEK-UHFFFAOYSA-N 1 3 307.442 0.159 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000570155672 417318902 /nfs/dbraw/zinc/31/89/02/417318902.db2.gz QSWXNAZCGCVSNH-YVSFHVDLSA-N 1 3 313.486 0.921 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000570155672 417318908 /nfs/dbraw/zinc/31/89/08/417318908.db2.gz QSWXNAZCGCVSNH-YVSFHVDLSA-N 1 3 313.486 0.921 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638101653 417326984 /nfs/dbraw/zinc/32/69/84/417326984.db2.gz WAVFSTWOAYBHOX-HOCLYGCPSA-N 1 3 313.442 0.372 20 0 DCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2CCNCC2)C1 ZINC000638111662 417334839 /nfs/dbraw/zinc/33/48/39/417334839.db2.gz OZJRKJQLBPIWDV-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2CCNCC2)C1 ZINC000638111662 417334844 /nfs/dbraw/zinc/33/48/44/417334844.db2.gz OZJRKJQLBPIWDV-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000570321885 417339296 /nfs/dbraw/zinc/33/92/96/417339296.db2.gz IBEXLFTZYNEQDV-CFVMTHIKSA-N 1 3 309.385 0.609 20 0 DCADHO C[C@@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@@H]1C[NH3+] ZINC000415210959 417344292 /nfs/dbraw/zinc/34/42/92/417344292.db2.gz ISVBAENQDAPACG-CHWSQXEVSA-N 1 3 308.430 1.036 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000638232022 417386442 /nfs/dbraw/zinc/38/64/42/417386442.db2.gz RXFPYYCYKJMQKI-OFQRWUPVSA-N 1 3 315.458 0.474 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)NCCOCC[NH+](C)C)c1 ZINC000638292101 417410191 /nfs/dbraw/zinc/41/01/91/417410191.db2.gz UPZRWQLHIDVIQZ-OAHLLOKOSA-N 1 3 309.410 0.259 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC000638339300 417424688 /nfs/dbraw/zinc/42/46/88/417424688.db2.gz FSYOKZCBMRYFEP-CYBMUJFWSA-N 1 3 306.414 0.242 20 0 DCADHO O=C(NC[C@H]1CNCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638338207 417424738 /nfs/dbraw/zinc/42/47/38/417424738.db2.gz TZELJNMNTMEKDO-JKSUJKDBSA-N 1 3 303.406 0.613 20 0 DCADHO O=C(NC[C@H]1CNCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638338207 417424745 /nfs/dbraw/zinc/42/47/45/417424745.db2.gz TZELJNMNTMEKDO-JKSUJKDBSA-N 1 3 303.406 0.613 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC000638343653 417428652 /nfs/dbraw/zinc/42/86/52/417428652.db2.gz UOHLEYDEFHVHQG-SOUVJXGZSA-N 1 3 320.441 0.631 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC000638343653 417428658 /nfs/dbraw/zinc/42/86/58/417428658.db2.gz UOHLEYDEFHVHQG-SOUVJXGZSA-N 1 3 320.441 0.631 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCN1C ZINC000570576961 417369488 /nfs/dbraw/zinc/36/94/88/417369488.db2.gz OVQVTLRCMFBASP-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622027310 417371170 /nfs/dbraw/zinc/37/11/70/417371170.db2.gz AFMRWNPQVQCDIE-VWPFQQQWSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H]1CN(C(=O)CCN(C)CCOCCOC)CC[C@H]1[NH3+] ZINC000638204978 417373499 /nfs/dbraw/zinc/37/34/99/417373499.db2.gz SJBUHRWOJYWPRF-LSDHHAIUSA-N 1 3 315.458 0.557 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213622 417376307 /nfs/dbraw/zinc/37/63/07/417376307.db2.gz GSCKWNRICPLWDJ-XHSDSOJGSA-N 1 3 302.422 0.124 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638218059 417380870 /nfs/dbraw/zinc/38/08/70/417380870.db2.gz BXCFYWFCKGNJGX-HNNXBMFYSA-N 1 3 301.431 0.169 20 0 DCADHO CC(C)NS(=O)(=O)CC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638568655 417491557 /nfs/dbraw/zinc/49/15/57/417491557.db2.gz SQWQIHYRAAEOJP-UHFFFAOYSA-N 1 3 321.487 0.139 20 0 DCADHO CN(C)CCn1cc(C(=O)NCc2ccc(C[NH3+])cc2)cn1 ZINC000638374898 417436713 /nfs/dbraw/zinc/43/67/13/417436713.db2.gz QVTKCWCAZNCCIS-UHFFFAOYSA-N 1 3 301.394 0.833 20 0 DCADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638527782 417481660 /nfs/dbraw/zinc/48/16/60/417481660.db2.gz YJMNKXKRNYSALX-AWEZNQCLSA-N 1 3 306.410 0.915 20 0 DCADHO [NH3+]Cc1ccc2c(c1)N(C(=O)C[C@H]1CSCCN1)CCO2 ZINC000638805469 417562082 /nfs/dbraw/zinc/56/20/82/417562082.db2.gz IZCWPRDYLDFOLP-LBPRGKRZSA-N 1 3 307.419 0.966 20 0 DCADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@@H]1COCCN1 ZINC000530224408 417552850 /nfs/dbraw/zinc/55/28/50/417552850.db2.gz MLOODRMGZGQXRE-FRFSOERESA-N 1 3 303.406 0.820 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1=O ZINC000638778764 417553968 /nfs/dbraw/zinc/55/39/68/417553968.db2.gz MHFYXILSWRAGQF-LJISPDSOSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000638966624 417594123 /nfs/dbraw/zinc/59/41/23/417594123.db2.gz HBTJAZKDGMLDPT-IHRRRGAJSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000576626909 417624226 /nfs/dbraw/zinc/62/42/26/417624226.db2.gz SJUDWZYARLJYBX-GJZGRUSLSA-N 1 3 324.469 0.515 20 0 DCADHO CCN1CCN(Cc2ccc(C[NH2+]CCC(N)=O)cc2)CC1 ZINC000576815913 417640960 /nfs/dbraw/zinc/64/09/60/417640960.db2.gz AKACBRYFMHOZES-UHFFFAOYSA-N 1 3 304.438 0.789 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCN1C ZINC000639261035 417647528 /nfs/dbraw/zinc/64/75/28/417647528.db2.gz KDDJFSHIGKMDGY-SJORKVTESA-N 1 3 324.513 0.855 20 0 DCADHO CC(C)(CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CCOCC1 ZINC000639330934 417662513 /nfs/dbraw/zinc/66/25/13/417662513.db2.gz OZIOVZMFBBSBKR-MRXNPFEDSA-N 1 3 311.470 0.628 20 0 DCADHO CC(C)(CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCOCC1 ZINC000639330934 417662518 /nfs/dbraw/zinc/66/25/18/417662518.db2.gz OZIOVZMFBBSBKR-MRXNPFEDSA-N 1 3 311.470 0.628 20 0 DCADHO CC(C)(C[NH+]1CCC(N2CC[C@@H](O)C2)CC1)N1CCOCC1 ZINC000639330934 417662521 /nfs/dbraw/zinc/66/25/21/417662521.db2.gz OZIOVZMFBBSBKR-MRXNPFEDSA-N 1 3 311.470 0.628 20 0 DCADHO C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000577232262 417676721 /nfs/dbraw/zinc/67/67/21/417676721.db2.gz YXYRVSSXJARXTR-MYPMTAMASA-N 1 3 316.405 0.093 20 0 DCADHO O[C@H](CN1CCOCC1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682296 417715424 /nfs/dbraw/zinc/71/54/24/417715424.db2.gz RTWYHLYNAZNRQV-KRWDZBQOSA-N 1 3 320.437 0.287 20 0 DCADHO O=C(NC[C@@H](O)CN1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC000635709427 417745641 /nfs/dbraw/zinc/74/56/41/417745641.db2.gz FDNDHJYBYKFRCP-OAHLLOKOSA-N 1 3 309.454 0.825 20 0 DCADHO C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCCC1 ZINC000662525012 417794945 /nfs/dbraw/zinc/79/49/45/417794945.db2.gz OJNKRPJMCJAOKQ-GFCCVEGCSA-N 1 3 306.414 0.417 20 0 DCADHO C[NH+](C)[C@H](CC(=O)NCCN1CC[C@H](O)C1)c1ccccc1 ZINC000629916201 417802418 /nfs/dbraw/zinc/80/24/18/417802418.db2.gz NNWOEFUGCSGAAN-JKSUJKDBSA-N 1 3 305.422 0.862 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645855790 417808789 /nfs/dbraw/zinc/80/87/89/417808789.db2.gz USWARNJHASZJRC-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000662598777 417818286 /nfs/dbraw/zinc/81/82/86/417818286.db2.gz WXKPKBSEHWXFBZ-YPMHNXCESA-N 1 3 302.440 0.658 20 0 DCADHO CN(C)CCOCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646498018 417858900 /nfs/dbraw/zinc/85/89/00/417858900.db2.gz COOPSEBUPVBUPC-CQSZACIVSA-N 1 3 309.414 0.116 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662707088 417863816 /nfs/dbraw/zinc/86/38/16/417863816.db2.gz BWSXFVWPJDOVPN-VYDXJSESSA-N 1 3 307.438 0.746 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240608 417871151 /nfs/dbraw/zinc/87/11/51/417871151.db2.gz IUVALOXRANUSNA-CQSZACIVSA-N 1 3 312.458 0.868 20 0 DCADHO CCC[C@](C)(N)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662747519 417884963 /nfs/dbraw/zinc/88/49/63/417884963.db2.gz WOYDITUTTHOIKC-INIZCTEOSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662747568 417885124 /nfs/dbraw/zinc/88/51/24/417885124.db2.gz ZHUMNMLVDKXEAL-GFCCVEGCSA-N 1 3 306.414 0.274 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348611 417887483 /nfs/dbraw/zinc/88/74/83/417887483.db2.gz KKCXDOYDOBLITC-IHRRRGAJSA-N 1 3 319.471 0.144 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662803096 417910114 /nfs/dbraw/zinc/91/01/14/417910114.db2.gz VHAWUWXMIOOSHL-CQSZACIVSA-N 1 3 320.441 0.759 20 0 DCADHO CN(C)C[C@@H]1CCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662788787 417905977 /nfs/dbraw/zinc/90/59/77/417905977.db2.gz OUWJPXAJKGMDAE-KBPBESRZSA-N 1 3 320.441 0.759 20 0 DCADHO C[C@H](NC(=O)c1cnn(CCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000631277706 417844171 /nfs/dbraw/zinc/84/41/71/417844171.db2.gz IQOWSNJBLOYMOH-ZDUSSCGKSA-N 1 3 307.442 0.905 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000662858222 417928154 /nfs/dbraw/zinc/92/81/54/417928154.db2.gz FIQSMOGEHKBSKB-JKSUJKDBSA-N 1 3 303.406 0.621 20 0 DCADHO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662859425 417929149 /nfs/dbraw/zinc/92/91/49/417929149.db2.gz MJRMNUPLRUBPPJ-JKSUJKDBSA-N 1 3 305.422 0.867 20 0 DCADHO CC[C@H]([NH2+]C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662859422 417929475 /nfs/dbraw/zinc/92/94/75/417929475.db2.gz MJRMNUPLRUBPPJ-CVEARBPZSA-N 1 3 305.422 0.867 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662864487 417930314 /nfs/dbraw/zinc/93/03/14/417930314.db2.gz DHQJQJJVELPTGR-BZUAXINKSA-N 1 3 303.406 0.627 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860398 417931502 /nfs/dbraw/zinc/93/15/02/417931502.db2.gz RMPHXEZNMPBYAP-YESZJQIVSA-N 1 3 317.433 0.997 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000652612268 417932124 /nfs/dbraw/zinc/93/21/24/417932124.db2.gz NRQALQBTGXZKPH-TZMCWYRMSA-N 1 3 306.414 0.660 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000652699715 417947799 /nfs/dbraw/zinc/94/77/99/417947799.db2.gz CDLGDMZXOLFPER-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[NH2+]1 ZINC000652702500 417949240 /nfs/dbraw/zinc/94/92/40/417949240.db2.gz YNLPEFCSMFIXFG-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)CCN1C ZINC000652725174 417956945 /nfs/dbraw/zinc/95/69/45/417956945.db2.gz ZYIURZFQRFCXQJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652731190 417958540 /nfs/dbraw/zinc/95/85/40/417958540.db2.gz DATNGLNSISLKDB-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000652731185 417958613 /nfs/dbraw/zinc/95/86/13/417958613.db2.gz CXXNSNIBNJHLPG-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc2c(c1)CNC2 ZINC000646990894 417966691 /nfs/dbraw/zinc/96/66/91/417966691.db2.gz GAKJQFDEFMQRTP-HNNXBMFYSA-N 1 3 316.405 0.164 20 0 DCADHO CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H](CN)C(F)(F)F ZINC000662985485 417971579 /nfs/dbraw/zinc/97/15/79/417971579.db2.gz VPPJEAVGIMCNBO-XVKPBYJWSA-N 1 3 305.304 0.448 20 0 DCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653111951 418028628 /nfs/dbraw/zinc/02/86/28/418028628.db2.gz HJLZHQYZAUCCAB-CVEARBPZSA-N 1 3 306.454 0.555 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653116909 418029957 /nfs/dbraw/zinc/02/99/57/418029957.db2.gz YAJDHWQJLXYNFF-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653118807 418031311 /nfs/dbraw/zinc/03/13/11/418031311.db2.gz SQHZXQHXWKPFQH-AWEZNQCLSA-N 1 3 314.474 0.271 20 0 DCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653121803 418033256 /nfs/dbraw/zinc/03/32/56/418033256.db2.gz BYIPCPMCZQXPFZ-IAGOWNOFSA-N 1 3 318.465 0.998 20 0 DCADHO NC(C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(F)(F)F ZINC000653184393 418042265 /nfs/dbraw/zinc/04/22/65/418042265.db2.gz PSHDYSFSHFZOSV-ZNSHCXBVSA-N 1 3 309.332 0.621 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(F)F ZINC000659552316 418117404 /nfs/dbraw/zinc/11/74/04/418117404.db2.gz XZHSZWPPCHTUFX-NEPJUHHUSA-N 1 3 320.384 0.521 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653350033 418060548 /nfs/dbraw/zinc/06/05/48/418060548.db2.gz HTRDRHSIJWJUQV-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO [NH3+]CCCOC1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000647872355 418068264 /nfs/dbraw/zinc/06/82/64/418068264.db2.gz ZUULSKVXDUXWFZ-LBPRGKRZSA-N 1 3 305.369 0.588 20 0 DCADHO Cc1nc(N[C@@H](C)C[N@H+](C)CCCN(C)C)nc(N(C)C)n1 ZINC000664197039 418097073 /nfs/dbraw/zinc/09/70/73/418097073.db2.gz QTIWLRAHUKKDQQ-LBPRGKRZSA-N 1 3 309.462 0.930 20 0 DCADHO Cc1nc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc(N(C)C)n1 ZINC000664197039 418097076 /nfs/dbraw/zinc/09/70/76/418097076.db2.gz QTIWLRAHUKKDQQ-LBPRGKRZSA-N 1 3 309.462 0.930 20 0 DCADHO Cc1nc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000664215671 418098888 /nfs/dbraw/zinc/09/88/88/418098888.db2.gz CEXADAVMGHJYKN-NSHDSACASA-N 1 3 312.418 0.449 20 0 DCADHO Cc1nc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000664215671 418098890 /nfs/dbraw/zinc/09/88/90/418098890.db2.gz CEXADAVMGHJYKN-NSHDSACASA-N 1 3 312.418 0.449 20 0 DCADHO CN(C)CCn1cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000654012856 418121512 /nfs/dbraw/zinc/12/15/12/418121512.db2.gz HQTWSINYJFCJDZ-XBXGTLAGSA-N 1 3 308.430 0.906 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000659608343 418125542 /nfs/dbraw/zinc/12/55/42/418125542.db2.gz NBQAVFOXRPLTDP-NUEKZKHPSA-N 1 3 322.453 0.633 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631462 418133722 /nfs/dbraw/zinc/13/37/22/418133722.db2.gz FHPCQXGZWYTBAN-NSHDSACASA-N 1 3 322.413 0.313 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659680694 418144308 /nfs/dbraw/zinc/14/43/08/418144308.db2.gz JLYKJTKAXXAEID-YRFCHQJDSA-N 1 3 322.453 0.173 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659692777 418148752 /nfs/dbraw/zinc/14/87/52/418148752.db2.gz WTZDCWUBNVDJSX-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654488248 418151889 /nfs/dbraw/zinc/15/18/89/418151889.db2.gz YMYMNGNCUOOGEL-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659709832 418156379 /nfs/dbraw/zinc/15/63/79/418156379.db2.gz JCWXUHKXRXGINS-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000659713970 418158272 /nfs/dbraw/zinc/15/82/72/418158272.db2.gz SETFUJUHPVKQBW-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659716658 418159185 /nfs/dbraw/zinc/15/91/85/418159185.db2.gz BPCFTNZJMBBFGI-QWHCGFSZSA-N 1 3 312.458 0.465 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000659717810 418160134 /nfs/dbraw/zinc/16/01/34/418160134.db2.gz JYKVUUBHQLSDLB-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000659716833 418160551 /nfs/dbraw/zinc/16/05/51/418160551.db2.gz YGTUMSBKAFNELT-KKUMJFAQSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659716837 418160607 /nfs/dbraw/zinc/16/06/07/418160607.db2.gz YGTUMSBKAFNELT-RRFJBIMHSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000659719060 418161730 /nfs/dbraw/zinc/16/17/30/418161730.db2.gz FPQPHOCZZYOEAU-KBPBESRZSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000659723443 418163875 /nfs/dbraw/zinc/16/38/75/418163875.db2.gz MSVXNKMATHCDNW-GUYCJALGSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659726109 418165477 /nfs/dbraw/zinc/16/54/77/418165477.db2.gz BWJVCUNFLVVXRH-BFHYXJOUSA-N 1 3 324.469 0.752 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659735492 418170043 /nfs/dbraw/zinc/17/00/43/418170043.db2.gz GQGVJVMOYXLZHN-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000659741021 418171789 /nfs/dbraw/zinc/17/17/89/418171789.db2.gz JBJYFIUOWOBDNF-MGPQQGTHSA-N 1 3 312.458 0.275 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH2+]C)CC2)C1 ZINC000659739436 418172115 /nfs/dbraw/zinc/17/21/15/418172115.db2.gz UKTKPDBVHNTACN-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccncn1 ZINC000665086026 418173977 /nfs/dbraw/zinc/17/39/77/418173977.db2.gz XYDISBWDUDFYQN-ZDUSSCGKSA-N 1 3 308.430 0.548 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccncn1 ZINC000665086026 418173980 /nfs/dbraw/zinc/17/39/80/418173980.db2.gz XYDISBWDUDFYQN-ZDUSSCGKSA-N 1 3 308.430 0.548 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cn(C)cn1 ZINC000665110107 418176834 /nfs/dbraw/zinc/17/68/34/418176834.db2.gz VROBBFZCJBUWQO-AWEZNQCLSA-N 1 3 324.473 0.534 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cn(C)cn1 ZINC000665110107 418176836 /nfs/dbraw/zinc/17/68/36/418176836.db2.gz VROBBFZCJBUWQO-AWEZNQCLSA-N 1 3 324.473 0.534 20 0 DCADHO O=C([C@@H]1CNCCC1(F)F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000649349538 418245290 /nfs/dbraw/zinc/24/52/90/418245290.db2.gz LJFGBALUVKEMHF-ZDUSSCGKSA-N 1 3 310.348 0.975 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000665224639 418185920 /nfs/dbraw/zinc/18/59/20/418185920.db2.gz WYFJHLCMBLOGPW-YJNKXOJESA-N 1 3 312.458 0.878 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000665224639 418185923 /nfs/dbraw/zinc/18/59/23/418185923.db2.gz WYFJHLCMBLOGPW-YJNKXOJESA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000660366231 418253303 /nfs/dbraw/zinc/25/33/03/418253303.db2.gz BVNUNOAFRDKEDF-CABCVRRESA-N 1 3 301.475 0.465 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)C[C@H]1C ZINC000660366231 418253305 /nfs/dbraw/zinc/25/33/05/418253305.db2.gz BVNUNOAFRDKEDF-CABCVRRESA-N 1 3 301.475 0.465 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649288773 418224917 /nfs/dbraw/zinc/22/49/17/418224917.db2.gz JHHAGKNRWISYGT-ZSHCYNCHSA-N 1 3 303.406 0.709 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000660704383 418283353 /nfs/dbraw/zinc/28/33/53/418283353.db2.gz NOYHWNWPOPPTPL-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000660704383 418283356 /nfs/dbraw/zinc/28/33/56/418283356.db2.gz NOYHWNWPOPPTPL-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655712431 418289129 /nfs/dbraw/zinc/28/91/29/418289129.db2.gz NGBLRDKDSVSBOQ-FUHWJXTLSA-N 1 3 324.513 0.855 20 0 DCADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660838684 418293867 /nfs/dbraw/zinc/29/38/67/418293867.db2.gz YKZWDJYJYIFHRH-GJZGRUSLSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655913227 418300227 /nfs/dbraw/zinc/30/02/27/418300227.db2.gz FFISZTMOKANCRD-JTQLQIEISA-N 1 3 312.336 0.286 20 0 DCADHO C[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N1CCCCCC1 ZINC000650304956 418303551 /nfs/dbraw/zinc/30/35/51/418303551.db2.gz GPXMKBYOJFKXKN-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656020408 418317371 /nfs/dbraw/zinc/31/73/71/418317371.db2.gz RKFBBYLDBHDHHK-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656019199 418317982 /nfs/dbraw/zinc/31/79/82/418317982.db2.gz CDXRCKIGOKYHKU-HUUCEWRRSA-N 1 3 322.453 0.235 20 0 DCADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000656023213 418319245 /nfs/dbraw/zinc/31/92/45/418319245.db2.gz YJYVJBSYSTZWIB-RBSFLKMASA-N 1 3 322.453 0.378 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000655493144 418268961 /nfs/dbraw/zinc/26/89/61/418268961.db2.gz CPZWAQVWFGCEDC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO NC[C@@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(F)(F)F ZINC000655517181 418271698 /nfs/dbraw/zinc/27/16/98/418271698.db2.gz BBXAZDKJSWCSOO-VHSXEESVSA-N 1 3 305.304 0.427 20 0 DCADHO Cn1c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000662290544 418398023 /nfs/dbraw/zinc/39/80/23/418398023.db2.gz GBCIZKBHNNIQNK-AWEZNQCLSA-N 1 3 320.437 0.296 20 0 DCADHO CN(C)CCN1C(=O)C[C@@H]([N@H+]2C[C@]3(C)COC[C@]3(C)C2)C1=O ZINC000656479946 418357383 /nfs/dbraw/zinc/35/73/83/418357383.db2.gz WVJXCRSOJROPJE-WQVCFCJDSA-N 1 3 309.410 0.034 20 0 DCADHO CN(C)CCN1C(=O)C[C@@H]([N@@H+]2C[C@]3(C)COC[C@]3(C)C2)C1=O ZINC000656479946 418357386 /nfs/dbraw/zinc/35/73/86/418357386.db2.gz WVJXCRSOJROPJE-WQVCFCJDSA-N 1 3 309.410 0.034 20 0 DCADHO CS(=O)(=O)NC1CC([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000656599267 418366239 /nfs/dbraw/zinc/36/62/39/418366239.db2.gz SJUFCZGDASRDJL-UHFFFAOYSA-N 1 3 324.450 0.720 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000661970278 418373129 /nfs/dbraw/zinc/37/31/29/418373129.db2.gz NGWPXWRUAQEKPC-QGZVFWFLSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000661970278 418373132 /nfs/dbraw/zinc/37/31/32/418373132.db2.gz NGWPXWRUAQEKPC-QGZVFWFLSA-N 1 3 313.486 0.732 20 0 DCADHO CNS(=O)(=O)CCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295043 418398992 /nfs/dbraw/zinc/39/89/92/418398992.db2.gz YPNGAXKMQREGPJ-AWEZNQCLSA-N 1 3 303.472 0.637 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@H]2CNCCO2)CC1 ZINC000662260539 418395028 /nfs/dbraw/zinc/39/50/28/418395028.db2.gz OVYMQJQHPJMKPK-BRWVUGGUSA-N 1 3 310.486 0.465 20 0 DCADHO CCN(CCNC(=O)c1cnnn1C1CC[NH2+]CC1)C1CC1 ZINC000662437115 418410125 /nfs/dbraw/zinc/41/01/25/418410125.db2.gz KJVDKYBCPLYJJP-UHFFFAOYSA-N 1 3 306.414 0.417 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000471652474 287519630 /nfs/dbraw/zinc/51/96/30/287519630.db2.gz JSUIUFBIDZAUCZ-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCC1 ZINC000354780288 261270842 /nfs/dbraw/zinc/27/08/42/261270842.db2.gz GMCIYHWGQCFHPM-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC1CC[NH+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363389546 262113143 /nfs/dbraw/zinc/11/31/43/262113143.db2.gz LJGYPHNFIYXRSN-JKSUJKDBSA-N 1 3 324.469 0.881 20 0 DCADHO COC1(C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]CC1 ZINC000363918084 262137189 /nfs/dbraw/zinc/13/71/89/262137189.db2.gz OWDAXQIFBPHHQH-UHFFFAOYSA-N 1 3 319.409 0.198 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000416801055 262240081 /nfs/dbraw/zinc/24/00/81/262240081.db2.gz GJIXHGYGOUEKSN-HNNXBMFYSA-N 1 3 308.426 0.825 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000416854737 262241500 /nfs/dbraw/zinc/24/15/00/262241500.db2.gz VHGYNRFCFISGLQ-CVEARBPZSA-N 1 3 320.437 0.528 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000417017191 262243189 /nfs/dbraw/zinc/24/31/89/262243189.db2.gz OOASDOUWAYCGBL-HUUCEWRRSA-N 1 3 312.458 0.785 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417093453 262245656 /nfs/dbraw/zinc/24/56/56/262245656.db2.gz OKUOUVOTIPXLII-KBPBESRZSA-N 1 3 300.447 0.771 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)NCCCN(C)CCOC)CC1 ZINC000417091638 262245841 /nfs/dbraw/zinc/24/58/41/262245841.db2.gz KCPLEBYHCPZCFP-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CCCN(C(=O)NCCCN(C)CCOC)[C@H]1CC[NH2+]C1 ZINC000417098675 262246122 /nfs/dbraw/zinc/24/61/22/262246122.db2.gz YVMXPGLZBSXVRW-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000417547868 262254928 /nfs/dbraw/zinc/25/49/28/262254928.db2.gz PNSQQQVREZEOLN-LBPRGKRZSA-N 1 3 300.447 0.912 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000417747158 262260355 /nfs/dbraw/zinc/26/03/55/262260355.db2.gz HACGBTWQXXFYKT-LSDHHAIUSA-N 1 3 313.490 0.543 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000417752290 262260769 /nfs/dbraw/zinc/26/07/69/262260769.db2.gz QMABOIVORSBLMD-CABCVRRESA-N 1 3 311.474 0.311 20 0 DCADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000417805050 262262064 /nfs/dbraw/zinc/26/20/64/262262064.db2.gz YDRZBCPSHIJKNI-AWEZNQCLSA-N 1 3 300.447 0.783 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000417839631 262263714 /nfs/dbraw/zinc/26/37/14/262263714.db2.gz RMIXACAQCXJOEL-RDJZCZTQSA-N 1 3 305.422 0.991 20 0 DCADHO C[C@H](CCC[NH3+])NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417956706 262266444 /nfs/dbraw/zinc/26/64/44/262266444.db2.gz TWMGIWFIQMHSHN-CYBMUJFWSA-N 1 3 323.441 0.949 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417999708 262267694 /nfs/dbraw/zinc/26/76/94/262267694.db2.gz VHEAXRZNDYGPOU-BBRMVZONSA-N 1 3 320.437 0.647 20 0 DCADHO COCC[NH2+]CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418116205 262270668 /nfs/dbraw/zinc/27/06/68/262270668.db2.gz QAVQZIHVDNENAP-CQSZACIVSA-N 1 3 316.446 0.023 20 0 DCADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccco1 ZINC000418168938 262271785 /nfs/dbraw/zinc/27/17/85/262271785.db2.gz OWBDOKRLDYVIJX-MELADBBJSA-N 1 3 324.425 0.996 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418191379 262272010 /nfs/dbraw/zinc/27/20/10/262272010.db2.gz KPOXBVLGBBSORO-AWEZNQCLSA-N 1 3 321.425 0.573 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418435716 262277853 /nfs/dbraw/zinc/27/78/53/262277853.db2.gz IAKLYUYKMACWJJ-CYBMUJFWSA-N 1 3 300.447 0.650 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000418431012 262277982 /nfs/dbraw/zinc/27/79/82/262277982.db2.gz VXGHVXMDOBQCCN-HNNXBMFYSA-N 1 3 313.490 0.639 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418597508 262283562 /nfs/dbraw/zinc/28/35/62/262283562.db2.gz DUKMVEIFYYJMFX-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418792298 262290131 /nfs/dbraw/zinc/29/01/31/262290131.db2.gz OMPZUMLJVYOLHK-QLFBSQMISA-N 1 3 312.458 0.506 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418848560 262292679 /nfs/dbraw/zinc/29/26/79/262292679.db2.gz LQIAEWFUDNBXQY-OAHLLOKOSA-N 1 3 320.437 0.001 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418920234 262298049 /nfs/dbraw/zinc/29/80/49/262298049.db2.gz BIQBNPSGOFZWEP-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419017953 262305289 /nfs/dbraw/zinc/30/52/89/262305289.db2.gz BFXHTSIQVTZEPS-YIYPIFLZSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419019933 262305454 /nfs/dbraw/zinc/30/54/54/262305454.db2.gz FGSSDSCLSSHXHU-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419073786 262306815 /nfs/dbraw/zinc/30/68/15/262306815.db2.gz CQEDXTVXWITUCC-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419078538 262307369 /nfs/dbraw/zinc/30/73/69/262307369.db2.gz LDVKXWDRFNZYBS-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCNCC1 ZINC000419095242 262309045 /nfs/dbraw/zinc/30/90/45/262309045.db2.gz ANZSKWKFLPBBOR-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419119465 262310588 /nfs/dbraw/zinc/31/05/88/262310588.db2.gz JXAHXFZDSKNMPZ-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000419163277 262315160 /nfs/dbraw/zinc/31/51/60/262315160.db2.gz WAHNHZODUGLGKM-CYBMUJFWSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419409290 262331158 /nfs/dbraw/zinc/33/11/58/262331158.db2.gz MXXGXWHGRHUCNS-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419409677 262331489 /nfs/dbraw/zinc/33/14/89/262331489.db2.gz NNYAPBBFHNFJKZ-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419418647 262331968 /nfs/dbraw/zinc/33/19/68/262331968.db2.gz IPXVDBSBIWZKNB-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419422773 262332237 /nfs/dbraw/zinc/33/22/37/262332237.db2.gz MPHHDCXPHOGKLA-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000419422871 262332654 /nfs/dbraw/zinc/33/26/54/262332654.db2.gz MWEIASWIEDEXKO-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419596441 262339468 /nfs/dbraw/zinc/33/94/68/262339468.db2.gz YNBMSTYGJAOFTL-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419696312 262346836 /nfs/dbraw/zinc/34/68/36/262346836.db2.gz MDHPPGLHNBNGDG-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000419968772 262354564 /nfs/dbraw/zinc/35/45/64/262354564.db2.gz FEMLFVOLAOLLQB-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420000051 262357318 /nfs/dbraw/zinc/35/73/18/262357318.db2.gz PCMXJGHJPZKWPD-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420000049 262357323 /nfs/dbraw/zinc/35/73/23/262357323.db2.gz PCMXJGHJPZKWPD-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420057660 262358054 /nfs/dbraw/zinc/35/80/54/262358054.db2.gz CUBUQMMNFDFJHJ-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420058596 262358294 /nfs/dbraw/zinc/35/82/94/262358294.db2.gz JZIRTIPDEQTUKA-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000420131841 262362321 /nfs/dbraw/zinc/36/23/21/262362321.db2.gz XONCFFSWBDIPHQ-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@H](C)NC(=O)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420362348 262371104 /nfs/dbraw/zinc/37/11/04/262371104.db2.gz NZPJESMQBYLEAA-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)C(=O)NC(C)C)CC[NH2+]CC1 ZINC000423179264 262432292 /nfs/dbraw/zinc/43/22/92/262432292.db2.gz JMCLYGOPOMKTQA-QWHCGFSZSA-N 1 3 313.442 0.811 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000358522060 271055111 /nfs/dbraw/zinc/05/51/11/271055111.db2.gz PZRGTSBEJDEFDL-AWEZNQCLSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@H](O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000359120346 271096784 /nfs/dbraw/zinc/09/67/84/271096784.db2.gz BUHXSWGCFFVGCL-ZDUSSCGKSA-N 1 3 312.458 0.615 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)N(C)C ZINC000359190274 271103517 /nfs/dbraw/zinc/10/35/17/271103517.db2.gz RWCGGZPSNYIWLO-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)N(C)C ZINC000359190274 271103519 /nfs/dbraw/zinc/10/35/19/271103519.db2.gz RWCGGZPSNYIWLO-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359230504 271108297 /nfs/dbraw/zinc/10/82/97/271108297.db2.gz ZOLSSHBRPWGVDP-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CCN(CC)CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000360927986 271166585 /nfs/dbraw/zinc/16/65/85/271166585.db2.gz JBAAHOWCLZZOQN-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO CCN(CC)CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000360927986 271166586 /nfs/dbraw/zinc/16/65/86/271166586.db2.gz JBAAHOWCLZZOQN-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418734445 271253864 /nfs/dbraw/zinc/25/38/64/271253864.db2.gz SFLNSQBZVUQNBH-UONOGXRCSA-N 1 3 311.474 0.534 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419028880 271267200 /nfs/dbraw/zinc/26/72/00/271267200.db2.gz QUXCGNFHDABUJU-MELADBBJSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419029245 271267450 /nfs/dbraw/zinc/26/74/50/271267450.db2.gz RJJYJWMCVJOCPN-BZPMIXESSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419030215 271268332 /nfs/dbraw/zinc/26/83/32/271268332.db2.gz SRVJIXUNAGFESL-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419403439 271288841 /nfs/dbraw/zinc/28/88/41/271288841.db2.gz DSDWFSFFIQCNAJ-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419430864 271289541 /nfs/dbraw/zinc/28/95/41/271289541.db2.gz WKMIMSCNKUFXCG-MCIONIFRSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419432643 271289608 /nfs/dbraw/zinc/28/96/08/271289608.db2.gz YKDNNPIOARBEDX-GASCZTMLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419432643 271289611 /nfs/dbraw/zinc/28/96/11/271289611.db2.gz YKDNNPIOARBEDX-GASCZTMLSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000419530417 271298722 /nfs/dbraw/zinc/29/87/22/271298722.db2.gz ZFMLHMNIBGMKTB-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CN)C(C)(C)C[NH+](C)C ZINC000419537903 271301126 /nfs/dbraw/zinc/30/11/26/271301126.db2.gz DJVCSXHWXFZGIM-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419652390 271314617 /nfs/dbraw/zinc/31/46/17/271314617.db2.gz PRRVHTMDVFDWJO-CYBMUJFWSA-N 1 3 320.437 0.568 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419667449 271319178 /nfs/dbraw/zinc/31/91/78/271319178.db2.gz AKRKTXFHBUWHBR-LSDHHAIUSA-N 1 3 324.469 0.467 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419704169 271323884 /nfs/dbraw/zinc/32/38/84/271323884.db2.gz XKLUCHOINKABGD-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000419893586 271338219 /nfs/dbraw/zinc/33/82/19/271338219.db2.gz MMGYLODMYJZUEP-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000419893584 271338438 /nfs/dbraw/zinc/33/84/38/271338438.db2.gz MMGYLODMYJZUEP-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419938683 271345430 /nfs/dbraw/zinc/34/54/30/271345430.db2.gz PYXWPBNYABXYNZ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N1CCC[C@H](C)C1 ZINC000419941147 271347029 /nfs/dbraw/zinc/34/70/29/271347029.db2.gz WGBGDYFFFRUJGP-SOUVJXGZSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419947381 271348440 /nfs/dbraw/zinc/34/84/40/271348440.db2.gz CKEMHVUSCGNSPP-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419947381 271348444 /nfs/dbraw/zinc/34/84/44/271348444.db2.gz CKEMHVUSCGNSPP-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420211259 271364581 /nfs/dbraw/zinc/36/45/81/271364581.db2.gz OBCDAHMZXGEZAZ-BYNSBNAKSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424126372 271398155 /nfs/dbraw/zinc/39/81/55/271398155.db2.gz BLNXMVWHUPIIDN-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO CN(C)C/C=C/C(=O)NC(C)(C)CCNC(=O)/C=C\C[NH+](C)C ZINC000493363933 272183647 /nfs/dbraw/zinc/18/36/47/272183647.db2.gz FRBZMRWDARQYOP-FKJILZIQSA-N 1 3 324.469 0.623 20 0 DCADHO CN(C)C/C=C\C(=O)NCCC(C)(C)NC(=O)/C=C/C[NH+](C)C ZINC000493363933 272183650 /nfs/dbraw/zinc/18/36/50/272183650.db2.gz FRBZMRWDARQYOP-FKJILZIQSA-N 1 3 324.469 0.623 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494739411 272229546 /nfs/dbraw/zinc/22/95/46/272229546.db2.gz XCXIGARHYSUIID-HIFRSBDPSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494739411 272229548 /nfs/dbraw/zinc/22/95/48/272229548.db2.gz XCXIGARHYSUIID-HIFRSBDPSA-N 1 3 320.437 0.836 20 0 DCADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)CN(C)C)CC1 ZINC000496889193 272350539 /nfs/dbraw/zinc/35/05/39/272350539.db2.gz AVBZGUQFORRZGV-LBPRGKRZSA-N 1 3 313.446 0.919 20 0 DCADHO O=C(N1CC[C@H](N2CCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000516473478 287665518 /nfs/dbraw/zinc/66/55/18/287665518.db2.gz TWZSVNRRSLHQLK-HNNXBMFYSA-N 1 3 317.437 0.659 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000519649689 287677028 /nfs/dbraw/zinc/67/70/28/287677028.db2.gz YWMRPENLJIWCKC-MYQWFSQQSA-N 1 3 317.380 0.632 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000339630899 277383233 /nfs/dbraw/zinc/38/32/33/277383233.db2.gz JKLNBMIQDBSAJD-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000545251209 287991060 /nfs/dbraw/zinc/99/10/60/287991060.db2.gz VVUASCAKXDNXJB-UONOGXRCSA-N 1 3 300.447 0.546 20 0 DCADHO C[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262151606 278304225 /nfs/dbraw/zinc/30/42/25/278304225.db2.gz NPUNLHQZYWHMAJ-ZBFHGGJFSA-N 1 3 304.438 0.829 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC000553424273 288298230 /nfs/dbraw/zinc/29/82/30/288298230.db2.gz USSJGANSEKLJLG-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC000553424273 288298233 /nfs/dbraw/zinc/29/82/33/288298233.db2.gz USSJGANSEKLJLG-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO O=C(C1CCN(C2CC2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563087243 288627016 /nfs/dbraw/zinc/62/70/16/288627016.db2.gz KXBDHHWQFACBJD-MRXNPFEDSA-N 1 3 306.454 0.367 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000563158408 288641734 /nfs/dbraw/zinc/64/17/34/288641734.db2.gz NVICWTPCWGNZOD-HIFRSBDPSA-N 1 3 310.442 0.077 20 0 DCADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000563606347 288689967 /nfs/dbraw/zinc/68/99/67/288689967.db2.gz JXSSWTCLGXSMSG-XUWVNRHRSA-N 1 3 318.421 0.815 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000332062824 289290643 /nfs/dbraw/zinc/29/06/43/289290643.db2.gz QOUCRAYQJGDBSO-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000332062824 289290644 /nfs/dbraw/zinc/29/06/44/289290644.db2.gz QOUCRAYQJGDBSO-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000332358822 295254293 /nfs/dbraw/zinc/25/42/93/295254293.db2.gz XCRMBMONKNKLTA-HOTGVXAUSA-N 1 3 324.469 0.868 20 0 DCADHO C[NH2+][C@@H](C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000574926681 332851392 /nfs/dbraw/zinc/85/13/92/332851392.db2.gz KPCTWENTFBPMDV-ZDUSSCGKSA-N 1 3 305.422 0.867 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580725187 340704981 /nfs/dbraw/zinc/70/49/81/340704981.db2.gz PGBUJFXSESCLND-CABCVRRESA-N 1 3 324.469 0.659 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCC(CC[NH3+])CC2)CCC1 ZINC000576643577 341856668 /nfs/dbraw/zinc/85/66/68/341856668.db2.gz QMUPWVXUFCBDOG-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CCCF)C1)N1CCCC1 ZINC001446781852 1159540634 /nfs/dbraw/zinc/54/06/34/1159540634.db2.gz ZPWNGWPOBUKWPX-MRXNPFEDSA-N 1 3 315.433 0.773 20 0 DCADHO CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1)N1CCCC1 ZINC001446781852 1159540638 /nfs/dbraw/zinc/54/06/38/1159540638.db2.gz ZPWNGWPOBUKWPX-MRXNPFEDSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365988075 524916978 /nfs/dbraw/zinc/91/69/78/524916978.db2.gz SRQZLUKGEVDTQI-BVUBDWEXSA-N 1 3 322.453 0.632 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365988075 524916996 /nfs/dbraw/zinc/91/69/96/524916996.db2.gz SRQZLUKGEVDTQI-BVUBDWEXSA-N 1 3 322.453 0.632 20 0 DCADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C3CCOCC3)C[C@H]12 ZINC000248648266 527368423 /nfs/dbraw/zinc/36/84/23/527368423.db2.gz UAEKGNGLODRLNX-SLBVQIDZSA-N 1 3 307.438 0.826 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(=O)[nH]n1 ZINC000299708197 529070204 /nfs/dbraw/zinc/07/02/04/529070204.db2.gz HNLDFQZXERMRNA-CYBMUJFWSA-N 1 3 321.425 0.258 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(=O)[nH]n1 ZINC000299708197 529070206 /nfs/dbraw/zinc/07/02/06/529070206.db2.gz HNLDFQZXERMRNA-CYBMUJFWSA-N 1 3 321.425 0.258 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000080146248 545688050 /nfs/dbraw/zinc/68/80/50/545688050.db2.gz MZTDWXWFVIIZHO-OAHLLOKOSA-N 1 3 324.469 0.881 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000080146248 545688058 /nfs/dbraw/zinc/68/80/58/545688058.db2.gz MZTDWXWFVIIZHO-OAHLLOKOSA-N 1 3 324.469 0.881 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000342976503 546125027 /nfs/dbraw/zinc/12/50/27/546125027.db2.gz LVYOTQLLCBQIQO-UONOGXRCSA-N 1 3 324.469 0.600 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000342981093 546125898 /nfs/dbraw/zinc/12/58/98/546125898.db2.gz ZWAZHFVGKSWAAB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000665761676 546395990 /nfs/dbraw/zinc/39/59/90/546395990.db2.gz MPRMAULCVPQDIM-ZNMIVQPWSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000665761676 546395994 /nfs/dbraw/zinc/39/59/94/546395994.db2.gz MPRMAULCVPQDIM-ZNMIVQPWSA-N 1 3 314.474 0.719 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000666922139 546529123 /nfs/dbraw/zinc/52/91/23/546529123.db2.gz KWIMCOPYINNPSS-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000666922139 546529125 /nfs/dbraw/zinc/52/91/25/546529125.db2.gz KWIMCOPYINNPSS-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)[nH]1 ZINC000667811425 546656413 /nfs/dbraw/zinc/65/64/13/546656413.db2.gz LTTUOQWPISIQDF-CQSZACIVSA-N 1 3 322.457 0.530 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)[nH]1 ZINC000667811425 546656414 /nfs/dbraw/zinc/65/64/14/546656414.db2.gz LTTUOQWPISIQDF-CQSZACIVSA-N 1 3 322.457 0.530 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000668634681 546806309 /nfs/dbraw/zinc/80/63/09/546806309.db2.gz BSFRBAOSRKKPSS-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668894539 546875170 /nfs/dbraw/zinc/87/51/70/546875170.db2.gz YUCXDUPEGVDVCD-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668894539 546875172 /nfs/dbraw/zinc/87/51/72/546875172.db2.gz YUCXDUPEGVDVCD-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CCN(CC)C1 ZINC000669028084 546906749 /nfs/dbraw/zinc/90/67/49/546906749.db2.gz VOQICFZBUVFCSC-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H]1CN(C(=O)NCCCN(C)CCOC)CC[C@@H]1[NH3+] ZINC000669389043 546965457 /nfs/dbraw/zinc/96/54/57/546965457.db2.gz YMMJYCYIGWJZBI-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO COCCCN1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669451124 546972540 /nfs/dbraw/zinc/97/25/40/546972540.db2.gz SLXYDMMSXQBJFJ-HNNXBMFYSA-N 1 3 312.458 0.929 20 0 DCADHO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCN2CCOC)CC[C@@H]1[NH3+] ZINC000669473252 546974798 /nfs/dbraw/zinc/97/47/98/546974798.db2.gz ZLZMXTSTUHVGKZ-ILXRZTDVSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570480 546992637 /nfs/dbraw/zinc/99/26/37/546992637.db2.gz XYLKUGJPSWWKJA-GDBMZVCRSA-N 1 3 320.437 0.924 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC000669573487 546993935 /nfs/dbraw/zinc/99/39/35/546993935.db2.gz VVMXWPOJDGANIY-MJBXVCDLSA-N 1 3 312.458 0.864 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000670629816 547116847 /nfs/dbraw/zinc/11/68/47/547116847.db2.gz OQTVJDFOSYHFFN-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)CN1CCCC1 ZINC000678899625 548015756 /nfs/dbraw/zinc/01/57/56/548015756.db2.gz RHPBLBOLBNWPGP-FUJMWEONSA-N 1 3 308.426 0.829 20 0 DCADHO C[NH+](C)CCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736759639 598527901 /nfs/dbraw/zinc/52/79/01/598527901.db2.gz VMRXMSFFOXVXAL-NSHDSACASA-N 1 3 319.417 0.036 20 0 DCADHO C[NH+](C)CCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736759639 598527903 /nfs/dbraw/zinc/52/79/03/598527903.db2.gz VMRXMSFFOXVXAL-NSHDSACASA-N 1 3 319.417 0.036 20 0 DCADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)C2CNC2)C1 ZINC000923608381 667643722 /nfs/dbraw/zinc/64/37/22/667643722.db2.gz RPIRZUWIRJPJBF-GFCCVEGCSA-N 1 3 303.472 0.778 20 0 DCADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)C2CNC2)C1 ZINC000923608381 667643723 /nfs/dbraw/zinc/64/37/23/667643723.db2.gz RPIRZUWIRJPJBF-GFCCVEGCSA-N 1 3 303.472 0.778 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC000978235179 660504134 /nfs/dbraw/zinc/50/41/34/660504134.db2.gz SYAKFSJZGQIRCX-LVQVYYBASA-N 1 3 309.454 0.801 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC000978235179 660504136 /nfs/dbraw/zinc/50/41/36/660504136.db2.gz SYAKFSJZGQIRCX-LVQVYYBASA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H]1C[C@@H](N(C)S(=O)(=O)CC2CC[NH2+]CC2)CCN1C ZINC000905337558 663550114 /nfs/dbraw/zinc/55/01/14/663550114.db2.gz HAGVYEFWPFSYED-JSGCOSHPSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2cncn2C)CN1C(=O)CN1CCCC1 ZINC000980799706 661015415 /nfs/dbraw/zinc/01/54/15/661015415.db2.gz KLVSSBCBJZYMLJ-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981647283 661189336 /nfs/dbraw/zinc/18/93/36/661189336.db2.gz XRFMFEWBCWAGHT-ISXOHVOVSA-N 1 3 307.438 0.792 20 0 DCADHO CC(C)[N@H+]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981647283 661189337 /nfs/dbraw/zinc/18/93/37/661189337.db2.gz XRFMFEWBCWAGHT-ISXOHVOVSA-N 1 3 307.438 0.792 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812821 661222540 /nfs/dbraw/zinc/22/25/40/661222540.db2.gz VVIULBWTWUSQPC-UKRRQHHQSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812821 661222542 /nfs/dbraw/zinc/22/25/42/661222542.db2.gz VVIULBWTWUSQPC-UKRRQHHQSA-N 1 3 309.454 0.632 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998537101 665476117 /nfs/dbraw/zinc/47/61/17/665476117.db2.gz ZTNPFTYTVQFHDP-NRXISQOPSA-N 1 3 305.426 0.556 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998552144 665477658 /nfs/dbraw/zinc/47/76/58/665477658.db2.gz SPTCHNHEJPCRMY-UYSNPLJNSA-N 1 3 319.453 0.902 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891579118 657495885 /nfs/dbraw/zinc/49/58/85/657495885.db2.gz CXDRZIKKKDNNJK-DOTOQJQBSA-N 1 3 323.485 0.598 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001023130536 657541721 /nfs/dbraw/zinc/54/17/21/657541721.db2.gz TWLUVJNDJYUJIO-VNHYZAJKSA-N 1 3 320.441 0.426 20 0 DCADHO O=C(N1CC[C@@H](NCc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC000970490715 657569669 /nfs/dbraw/zinc/56/96/69/657569669.db2.gz XVBKKPMLUSTHAT-OAHLLOKOSA-N 1 3 300.406 0.868 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CCOC2CCC2)C1 ZINC000970876245 658011496 /nfs/dbraw/zinc/01/14/96/658011496.db2.gz UBUKTOQXJKEBSP-ZIAGYGMSSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCOC2CCC2)C1 ZINC000970876245 658011504 /nfs/dbraw/zinc/01/15/04/658011504.db2.gz UBUKTOQXJKEBSP-ZIAGYGMSSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892079094 658167441 /nfs/dbraw/zinc/16/74/41/658167441.db2.gz VALDTOMGWTZCDD-KCXAZCMYSA-N 1 3 302.422 0.998 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020593085 658177868 /nfs/dbraw/zinc/17/78/68/658177868.db2.gz WOOMFEWGLOCDKZ-RGCMKSIDSA-N 1 3 320.441 0.233 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020593085 658177870 /nfs/dbraw/zinc/17/78/70/658177870.db2.gz WOOMFEWGLOCDKZ-RGCMKSIDSA-N 1 3 320.441 0.233 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679866 658213533 /nfs/dbraw/zinc/21/35/33/658213533.db2.gz SZUADSNFYJDWHO-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO COCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679866 658213535 /nfs/dbraw/zinc/21/35/35/658213535.db2.gz SZUADSNFYJDWHO-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020633020 658249359 /nfs/dbraw/zinc/24/93/59/658249359.db2.gz DTFXKXQYKIXPDO-SCRDCRAPSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC001020633020 658249366 /nfs/dbraw/zinc/24/93/66/658249366.db2.gz DTFXKXQYKIXPDO-SCRDCRAPSA-N 1 3 319.409 0.010 20 0 DCADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998993510 665561943 /nfs/dbraw/zinc/56/19/43/665561943.db2.gz FMKNYSCLDAXDAF-XUJLQICISA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001022720530 658384755 /nfs/dbraw/zinc/38/47/55/658384755.db2.gz RIHGYFXBZBBIMA-GUIRCDHDSA-N 1 3 305.426 0.355 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001022720530 658384766 /nfs/dbraw/zinc/38/47/66/658384766.db2.gz RIHGYFXBZBBIMA-GUIRCDHDSA-N 1 3 305.426 0.355 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022806800 658600139 /nfs/dbraw/zinc/60/01/39/658600139.db2.gz APTFNTNMPZQQRX-MQYQWHSLSA-N 1 3 310.442 0.360 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1)C(N)=O ZINC001022808708 658602351 /nfs/dbraw/zinc/60/23/51/658602351.db2.gz YZUFZGVSAFQGIY-XGUBFFRZSA-N 1 3 324.469 0.750 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000804729853 658619358 /nfs/dbraw/zinc/61/93/58/658619358.db2.gz SCPZHLCNDYZKNU-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000804729853 658619364 /nfs/dbraw/zinc/61/93/64/658619364.db2.gz SCPZHLCNDYZKNU-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](O)CN1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530010 658688551 /nfs/dbraw/zinc/68/85/51/658688551.db2.gz BLSWOJUEIIGGAL-GJZGRUSLSA-N 1 3 309.454 0.966 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001022975009 658882318 /nfs/dbraw/zinc/88/23/18/658882318.db2.gz GDODJYWGPJRJTG-KFWWJZLASA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001022975009 658882326 /nfs/dbraw/zinc/88/23/26/658882326.db2.gz GDODJYWGPJRJTG-KFWWJZLASA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022974736 658882576 /nfs/dbraw/zinc/88/25/76/658882576.db2.gz APDAKCODRPLQOJ-RWMBFGLXSA-N 1 3 323.466 0.925 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022974736 658882580 /nfs/dbraw/zinc/88/25/80/658882580.db2.gz APDAKCODRPLQOJ-RWMBFGLXSA-N 1 3 323.466 0.925 20 0 DCADHO CC1(C)CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)[NH2+]C1 ZINC000891514197 658898055 /nfs/dbraw/zinc/89/80/55/658898055.db2.gz NXAHRPWRYAPFIO-KFWWJZLASA-N 1 3 324.469 0.927 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891513540 658898673 /nfs/dbraw/zinc/89/86/73/658898673.db2.gz DNKSPZUSTFHASG-TUVASFSCSA-N 1 3 308.426 0.386 20 0 DCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC000891514676 658904330 /nfs/dbraw/zinc/90/43/30/658904330.db2.gz WVMLULULDXLUPT-DSJMHWKBSA-N 1 3 308.426 0.101 20 0 DCADHO O=C(N1CC[C@@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC001027173706 659060949 /nfs/dbraw/zinc/06/09/49/659060949.db2.gz UDFPJJOUMCEDFZ-LBPRGKRZSA-N 1 3 321.450 0.572 20 0 DCADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027215643 659087328 /nfs/dbraw/zinc/08/73/28/659087328.db2.gz KSHDXLAWJLUFHE-ZIAGYGMSSA-N 1 3 320.441 0.188 20 0 DCADHO CCn1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027215643 659087334 /nfs/dbraw/zinc/08/73/34/659087334.db2.gz KSHDXLAWJLUFHE-ZIAGYGMSSA-N 1 3 320.441 0.188 20 0 DCADHO Cn1cc(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001025159564 659091027 /nfs/dbraw/zinc/09/10/27/659091027.db2.gz GLKZWGFTDUFUSO-HZPDHXFCSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001025159564 659091032 /nfs/dbraw/zinc/09/10/32/659091032.db2.gz GLKZWGFTDUFUSO-HZPDHXFCSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999473173 665649020 /nfs/dbraw/zinc/64/90/20/665649020.db2.gz LDENKZYLMQNWQC-OPFPJEHXSA-N 1 3 306.410 0.958 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(CC2([NH+]3CCCC3)CCOCC2)C1=O ZINC000924590766 659251836 /nfs/dbraw/zinc/25/18/36/659251836.db2.gz CMUBQXOWWKNKRM-ZDUSSCGKSA-N 1 3 324.425 0.113 20 0 DCADHO CCO[C@@H](CNC(=O)N1CCCN(CC)CC1)C[NH+](C)C ZINC000926838793 659410290 /nfs/dbraw/zinc/41/02/90/659410290.db2.gz UZUVBIWHENKODZ-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO C[N@@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)[C@@H]2C1 ZINC000892819980 659469643 /nfs/dbraw/zinc/46/96/43/659469643.db2.gz UMNDXOHWZWRIFU-BYNSBNAKSA-N 1 3 308.426 0.195 20 0 DCADHO C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)[C@@H]2C1 ZINC000892819980 659469645 /nfs/dbraw/zinc/46/96/45/659469645.db2.gz UMNDXOHWZWRIFU-BYNSBNAKSA-N 1 3 308.426 0.195 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC000892817820 659470208 /nfs/dbraw/zinc/47/02/08/659470208.db2.gz FWJQPUYGCCLDRW-LJISPDSOSA-N 1 3 308.426 0.053 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC000892817820 659470210 /nfs/dbraw/zinc/47/02/10/659470210.db2.gz FWJQPUYGCCLDRW-LJISPDSOSA-N 1 3 308.426 0.053 20 0 DCADHO CCn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001026734973 659487833 /nfs/dbraw/zinc/48/78/33/659487833.db2.gz XDFOHXGHJAFVCZ-HOCLYGCPSA-N 1 3 319.453 0.935 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999764379 665681033 /nfs/dbraw/zinc/68/10/33/665681033.db2.gz JNCPYIXIMNGGLS-NDUQDZPOSA-N 1 3 319.449 0.840 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999766261 665681586 /nfs/dbraw/zinc/68/15/86/665681586.db2.gz RYZKMGJBOKSBOM-MYMJJRTCSA-N 1 3 311.401 0.400 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]C[C@H]2CCOC2)C1)C1CCC1 ZINC001026889260 659625026 /nfs/dbraw/zinc/62/50/26/659625026.db2.gz VBYLAJRFSYQQIA-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001026921522 659640080 /nfs/dbraw/zinc/64/00/80/659640080.db2.gz SVXAZFPKVZBJHF-JSGCOSHPSA-N 1 3 323.466 0.961 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](CNCc2nccn2C)C1)[NH+](C)C ZINC001027042361 659728458 /nfs/dbraw/zinc/72/84/58/659728458.db2.gz CGKPYUHLUMKSOI-GOEBONIOSA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1)OC ZINC001026043566 659760123 /nfs/dbraw/zinc/76/01/23/659760123.db2.gz NBYHBPUUHBMXNS-NMNMXBMNSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1)OC ZINC001026043566 659760125 /nfs/dbraw/zinc/76/01/25/659760125.db2.gz NBYHBPUUHBMXNS-NMNMXBMNSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001027065280 659763611 /nfs/dbraw/zinc/76/36/11/659763611.db2.gz VINQFVFEHANOQV-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H](CCNC(=O)NC[C@@H]1CCN1C1CCOCC1)[NH+](C)C ZINC000927634797 661458272 /nfs/dbraw/zinc/45/82/72/661458272.db2.gz YMLIRRCOUGDEHM-ZFWWWQNUSA-N 1 3 312.458 0.879 20 0 DCADHO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1[C@H]1CCN(C2CC2)C1 ZINC000924888723 661618762 /nfs/dbraw/zinc/61/87/62/661618762.db2.gz XOMHVJXCSJRTOG-KBPBESRZSA-N 1 3 306.410 0.629 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](C)OC1=O ZINC000895666764 662205120 /nfs/dbraw/zinc/20/51/20/662205120.db2.gz RJMZFOMWVCDNMI-XQQFMLRXSA-N 1 3 314.430 0.262 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](C)OC1=O ZINC000895666764 662205123 /nfs/dbraw/zinc/20/51/23/662205123.db2.gz RJMZFOMWVCDNMI-XQQFMLRXSA-N 1 3 314.430 0.262 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC000984807962 662317495 /nfs/dbraw/zinc/31/74/95/662317495.db2.gz KJVSWCLBKZOBOQ-ZJQBRPOHSA-N 1 3 323.466 0.720 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC000984807962 662317497 /nfs/dbraw/zinc/31/74/97/662317497.db2.gz KJVSWCLBKZOBOQ-ZJQBRPOHSA-N 1 3 323.466 0.720 20 0 DCADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000985120958 662370305 /nfs/dbraw/zinc/37/03/05/662370305.db2.gz AGZBOIYJYFPXIR-MGPQQGTHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000985120958 662370308 /nfs/dbraw/zinc/37/03/08/662370308.db2.gz AGZBOIYJYFPXIR-MGPQQGTHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC000985120860 662370659 /nfs/dbraw/zinc/37/06/59/662370659.db2.gz ZJAFUNVEQDTEQT-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC000985120860 662370662 /nfs/dbraw/zinc/37/06/62/662370662.db2.gz ZJAFUNVEQDTEQT-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000985155325 662377383 /nfs/dbraw/zinc/37/73/83/662377383.db2.gz VRBOKXWXBPECBI-TUVASFSCSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985327737 662410524 /nfs/dbraw/zinc/41/05/24/662410524.db2.gz JVXAMLGFZTXBIC-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCCNC2=O)CC1 ZINC000985327737 662410527 /nfs/dbraw/zinc/41/05/27/662410527.db2.gz JVXAMLGFZTXBIC-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCn2cccn2)CC1 ZINC000985332307 662411617 /nfs/dbraw/zinc/41/16/17/662411617.db2.gz LUONGKAJUDDEMT-INIZCTEOSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cccn2)CC1 ZINC000985332307 662411619 /nfs/dbraw/zinc/41/16/19/662411619.db2.gz LUONGKAJUDDEMT-INIZCTEOSA-N 1 3 319.453 0.900 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1)C1CCC1 ZINC001029756151 662466319 /nfs/dbraw/zinc/46/63/19/662466319.db2.gz YDVJAQPBMNZFGL-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1)C1CCC1 ZINC001029756151 662466320 /nfs/dbraw/zinc/46/63/20/662466320.db2.gz YDVJAQPBMNZFGL-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985551879 662478532 /nfs/dbraw/zinc/47/85/32/662478532.db2.gz ALDQHZBTUSGVSG-INIZCTEOSA-N 1 3 322.453 0.269 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985647925 662495642 /nfs/dbraw/zinc/49/56/42/662495642.db2.gz RWRMEAGXUJVVAZ-HIFRSBDPSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985647925 662495644 /nfs/dbraw/zinc/49/56/44/662495644.db2.gz RWRMEAGXUJVVAZ-HIFRSBDPSA-N 1 3 324.469 0.657 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001000592899 665881761 /nfs/dbraw/zinc/88/17/61/665881761.db2.gz GNEXQQCIRATZHK-ZFWWWQNUSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC2CCOCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060145 662639888 /nfs/dbraw/zinc/63/98/88/662639888.db2.gz URKPCXCCXGPWGD-IUODEOHRSA-N 1 3 306.410 0.958 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cn1 ZINC000987519330 662683246 /nfs/dbraw/zinc/68/32/46/662683246.db2.gz AFVIZMUJMUWADI-CJNGLKHVSA-N 1 3 317.437 0.960 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCCC1 ZINC000987519454 662685562 /nfs/dbraw/zinc/68/55/62/662685562.db2.gz OJKBFJLBWLUCCH-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897521302 662803945 /nfs/dbraw/zinc/80/39/45/662803945.db2.gz ADGSKIGRQMLMGF-PMPSAXMXSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897521302 662803946 /nfs/dbraw/zinc/80/39/46/662803946.db2.gz ADGSKIGRQMLMGF-PMPSAXMXSA-N 1 3 324.469 0.711 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729608691 662905311 /nfs/dbraw/zinc/90/53/11/662905311.db2.gz QSVWEXISNQNLOI-CVEARBPZSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2)C1CC1 ZINC001040241327 662965802 /nfs/dbraw/zinc/96/58/02/662965802.db2.gz NHGZIOCEGZTYRT-RDJZCZTQSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2)C1CC1 ZINC001040241327 662965803 /nfs/dbraw/zinc/96/58/03/662965803.db2.gz NHGZIOCEGZTYRT-RDJZCZTQSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)CC1 ZINC000989634362 662966751 /nfs/dbraw/zinc/96/67/51/662966751.db2.gz BSTVKZVLWXBAHX-JSGCOSHPSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000989664609 662969934 /nfs/dbraw/zinc/96/99/34/662969934.db2.gz KEOQLDDAJKHRKZ-IUODEOHRSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989826121 662982466 /nfs/dbraw/zinc/98/24/66/662982466.db2.gz MSICGANWGWNYKP-XJKSGUPXSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900431189 663243594 /nfs/dbraw/zinc/24/35/94/663243594.db2.gz YZSFUIDLYBTBQL-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900431189 663243596 /nfs/dbraw/zinc/24/35/96/663243596.db2.gz YZSFUIDLYBTBQL-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900442777 663243886 /nfs/dbraw/zinc/24/38/86/663243886.db2.gz RJOVKIIXNJAHRP-KLHDSHLOSA-N 1 3 307.438 0.983 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900442777 663243889 /nfs/dbraw/zinc/24/38/89/663243889.db2.gz RJOVKIIXNJAHRP-KLHDSHLOSA-N 1 3 307.438 0.983 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000900626182 663263846 /nfs/dbraw/zinc/26/38/46/663263846.db2.gz HBCAPDLYAITISQ-AWEZNQCLSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000900626182 663263850 /nfs/dbraw/zinc/26/38/50/663263850.db2.gz HBCAPDLYAITISQ-AWEZNQCLSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000901347256 663342606 /nfs/dbraw/zinc/34/26/06/663342606.db2.gz XBHLJPYUKXWOGJ-UHFFFAOYSA-N 1 3 323.441 0.021 20 0 DCADHO CN1CCN(C(=O)CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903090638 663446990 /nfs/dbraw/zinc/44/69/90/663446990.db2.gz FGEHUYFRGZPYJY-ZXFUBFMLSA-N 1 3 320.481 0.898 20 0 DCADHO CN1CCN(C(=O)CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903090638 663446991 /nfs/dbraw/zinc/44/69/91/663446991.db2.gz FGEHUYFRGZPYJY-ZXFUBFMLSA-N 1 3 320.481 0.898 20 0 DCADHO CCC(C)(C)NC(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491841 663458165 /nfs/dbraw/zinc/45/81/65/663458165.db2.gz CRSCYGYCSKGABJ-OZVIIMIRSA-N 1 3 311.426 0.504 20 0 DCADHO Nc1nc(C2CC2)nc(N2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC000903707121 663474508 /nfs/dbraw/zinc/47/45/08/663474508.db2.gz LUAYXXKMYQKUJS-UHFFFAOYSA-N 1 3 317.441 0.453 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903746887 663476730 /nfs/dbraw/zinc/47/67/30/663476730.db2.gz MYOBVWOAQDGXBX-AJNGGQMLSA-N 1 3 311.426 0.110 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903763161 663480531 /nfs/dbraw/zinc/48/05/31/663480531.db2.gz OQLAVBQAKFHKFX-CHWSQXEVSA-N 1 3 310.442 0.123 20 0 DCADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCN(CC2CC2)CC1 ZINC000903885935 663492606 /nfs/dbraw/zinc/49/26/06/663492606.db2.gz PFDHYKVREBBWFZ-HNNXBMFYSA-N 1 3 304.442 0.730 20 0 DCADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000903935629 663496858 /nfs/dbraw/zinc/49/68/58/663496858.db2.gz RENOPKCKMZNJEL-FDXKKBNASA-N 1 3 303.410 0.716 20 0 DCADHO COC(=O)[C@@H]1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)[C@H]1C ZINC000903916953 663497511 /nfs/dbraw/zinc/49/75/11/663497511.db2.gz WTTGRRVIVHWCOE-GZBFAFLISA-N 1 3 308.426 0.729 20 0 DCADHO CC[N@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000977316 665969655 /nfs/dbraw/zinc/96/96/55/665969655.db2.gz PKQWSVFWUOIMAW-CKDBGZEDSA-N 1 3 305.422 0.618 20 0 DCADHO CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000977316 665969657 /nfs/dbraw/zinc/96/96/57/665969657.db2.gz PKQWSVFWUOIMAW-CKDBGZEDSA-N 1 3 305.422 0.618 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904969202 663521014 /nfs/dbraw/zinc/52/10/14/663521014.db2.gz BCWCDBUYRCAYFS-RHSMWYFYSA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905055188 663526394 /nfs/dbraw/zinc/52/63/94/663526394.db2.gz MWYXSDRULRVMMU-GOEBONIOSA-N 1 3 300.443 0.741 20 0 DCADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)CC1(O)CCCCC1 ZINC000905342842 663551296 /nfs/dbraw/zinc/55/12/96/663551296.db2.gz XLXMACJBMQNKBU-INIZCTEOSA-N 1 3 314.470 0.869 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906679543 663631120 /nfs/dbraw/zinc/63/11/20/663631120.db2.gz UFLRRHGUMLDFRW-CYBMUJFWSA-N 1 3 304.394 0.684 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911161471 663995315 /nfs/dbraw/zinc/99/53/15/663995315.db2.gz KOQBJQQHKJQGKD-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(Cc2ccc(CC[NH+](C)C)cc2)C1=O ZINC000924836452 663997889 /nfs/dbraw/zinc/99/78/89/663997889.db2.gz ZEFZTPADNYBVNP-OAHLLOKOSA-N 1 3 318.421 0.773 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)C ZINC000911224480 664011032 /nfs/dbraw/zinc/01/10/32/664011032.db2.gz YWCYYIHTXFZLHG-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911310093 664025699 /nfs/dbraw/zinc/02/56/99/664025699.db2.gz UHLBHXXXWPELPI-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000911284029 664027006 /nfs/dbraw/zinc/02/70/06/664027006.db2.gz YWLQXUHEVNHGNC-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000911324433 664028259 /nfs/dbraw/zinc/02/82/59/664028259.db2.gz COIYEMYNVCVLFH-LJISPDSOSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CCC[C@@H](C)C1 ZINC000911378504 664040872 /nfs/dbraw/zinc/04/08/72/664040872.db2.gz HMVFYHZQYMFWSO-KBXIAJHMSA-N 1 3 324.469 0.195 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911443206 664053653 /nfs/dbraw/zinc/05/36/53/664053653.db2.gz RJFSQNSPTZEADO-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564371 664082731 /nfs/dbraw/zinc/08/27/31/664082731.db2.gz UHABDWRYRQUODF-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)C[C@H](C)N1 ZINC000911798642 664110699 /nfs/dbraw/zinc/11/06/99/664110699.db2.gz VTURUYCOZRDRDA-UHIISALHSA-N 1 3 316.405 0.721 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000913759576 664720013 /nfs/dbraw/zinc/72/00/13/664720013.db2.gz QEDYQPSXQWYMEJ-UONOGXRCSA-N 1 3 305.426 0.611 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000913759576 664720014 /nfs/dbraw/zinc/72/00/14/664720014.db2.gz QEDYQPSXQWYMEJ-UONOGXRCSA-N 1 3 305.426 0.611 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000993806668 665004661 /nfs/dbraw/zinc/00/46/61/665004661.db2.gz MXJKCJXGYBUEFZ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H](CC)N(C)C)C1 ZINC000993806668 665004663 /nfs/dbraw/zinc/00/46/63/665004663.db2.gz MXJKCJXGYBUEFZ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000993816543 665006284 /nfs/dbraw/zinc/00/62/84/665006284.db2.gz LFHGQWGLJOWUFU-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993816543 665006287 /nfs/dbraw/zinc/00/62/87/665006287.db2.gz LFHGQWGLJOWUFU-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993848815 665011316 /nfs/dbraw/zinc/01/13/16/665011316.db2.gz XHRJEAAYONDDFT-OKILXGFUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993848815 665011319 /nfs/dbraw/zinc/01/13/19/665011319.db2.gz XHRJEAAYONDDFT-OKILXGFUSA-N 1 3 322.453 0.282 20 0 DCADHO C[NH+](C)CCNC(=S)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000916017093 665056126 /nfs/dbraw/zinc/05/61/26/665056126.db2.gz RMXLHFUMQVVITA-CQSZACIVSA-N 1 3 314.499 0.609 20 0 DCADHO CCN1CCN(CCNC(=S)NCCC[NH+](C)C)CC1 ZINC000916016771 665056142 /nfs/dbraw/zinc/05/61/42/665056142.db2.gz WFSPFGQLEIMHLA-UHFFFAOYSA-N 1 3 301.504 0.040 20 0 DCADHO CN1CCC(NC(=S)N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000920306896 665266481 /nfs/dbraw/zinc/26/64/81/665266481.db2.gz ALXUBLJMICLDSB-UHFFFAOYSA-N 1 3 313.515 0.134 20 0 DCADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)CN1CCN(C)CC1 ZINC000920451360 665271900 /nfs/dbraw/zinc/27/19/00/665271900.db2.gz OBFIUNWAKQLFDJ-AWEZNQCLSA-N 1 3 311.474 0.263 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040869023 665312125 /nfs/dbraw/zinc/31/21/25/665312125.db2.gz DOEDOTGJIQGKCC-CYBMUJFWSA-N 1 3 306.410 0.648 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000938317313 665334119 /nfs/dbraw/zinc/33/41/19/665334119.db2.gz QKDHJFGBAMGTDO-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000938317313 665334121 /nfs/dbraw/zinc/33/41/21/665334121.db2.gz QKDHJFGBAMGTDO-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000938319023 665334734 /nfs/dbraw/zinc/33/47/34/665334734.db2.gz CTWBTTOHXHZXHT-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO COC(=O)COc1ccccc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000921998385 666222737 /nfs/dbraw/zinc/22/27/37/666222737.db2.gz ISCLIAHZQZQJEP-INIZCTEOSA-N 1 3 308.378 0.395 20 0 DCADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CCN(CCCO)C1 ZINC001033295906 666663974 /nfs/dbraw/zinc/66/39/74/666663974.db2.gz OLQOAWHHSBQXCF-JKSUJKDBSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C(=O)c1ccccc1C[NH+](C)C)[C@H]1CCN(CCO)C1 ZINC001033686587 666795036 /nfs/dbraw/zinc/79/50/36/666795036.db2.gz RASWENSUAKVHLW-HNNXBMFYSA-N 1 3 305.422 0.887 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(CCO)C1 ZINC001033856160 666847419 /nfs/dbraw/zinc/84/74/19/666847419.db2.gz RRYBLLRBPVAOKS-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CCO)C1 ZINC001033856160 666847421 /nfs/dbraw/zinc/84/74/21/666847421.db2.gz RRYBLLRBPVAOKS-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCn2cccn2)CC1)C1CC1 ZINC000996676332 666857351 /nfs/dbraw/zinc/85/73/51/666857351.db2.gz HBCKPMKMSFCAGD-MRXNPFEDSA-N 1 3 319.453 0.804 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861541585 666941553 /nfs/dbraw/zinc/94/15/53/666941553.db2.gz DYRYNHFPZPMJIS-GFCCVEGCSA-N 1 3 306.410 0.801 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC000997001397 667066484 /nfs/dbraw/zinc/06/64/84/667066484.db2.gz UHULRKPTSPHIPW-OCCSQVGLSA-N 1 3 310.442 0.315 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001034574271 667077446 /nfs/dbraw/zinc/07/74/46/667077446.db2.gz XANLQCHVACVYLX-CQSZACIVSA-N 1 3 319.409 0.059 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997042261 667086446 /nfs/dbraw/zinc/08/64/46/667086446.db2.gz ONBACDJMLUVMKY-CYBMUJFWSA-N 1 3 306.410 0.959 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CC2(O)CCOCC2)[C@H](C)C1 ZINC000863969434 667203896 /nfs/dbraw/zinc/20/38/96/667203896.db2.gz VFHVNSQFQHHUTI-OAGGEKHMSA-N 1 3 314.470 0.941 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC2(O)CCOCC2)[C@H](C)C1 ZINC000863969434 667203898 /nfs/dbraw/zinc/20/38/98/667203898.db2.gz VFHVNSQFQHHUTI-OAGGEKHMSA-N 1 3 314.470 0.941 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001035011393 667214499 /nfs/dbraw/zinc/21/44/99/667214499.db2.gz WAXWYLFLKLYHRK-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+]([C@H](C)C(N)=O)C2)CC1)N(C)C ZINC001035229740 667277033 /nfs/dbraw/zinc/27/70/33/667277033.db2.gz YXDQANAMWIBQHV-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+]([C@H](C)C(N)=O)C2)CC1)N(C)C ZINC001035229740 667277034 /nfs/dbraw/zinc/27/70/34/667277034.db2.gz YXDQANAMWIBQHV-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035258070 667277421 /nfs/dbraw/zinc/27/74/21/667277421.db2.gz DYDQUOMNENRTJY-ZIAGYGMSSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035258070 667277422 /nfs/dbraw/zinc/27/74/22/667277422.db2.gz DYDQUOMNENRTJY-ZIAGYGMSSA-N 1 3 322.453 0.126 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2CCCCO2)CC1 ZINC000866669136 667386145 /nfs/dbraw/zinc/38/61/45/667386145.db2.gz RDPCVSXOGOMBLB-SOUVJXGZSA-N 1 3 309.410 0.813 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707614 667388704 /nfs/dbraw/zinc/38/87/04/667388704.db2.gz VGQXKPMKRMTAGQ-AWEZNQCLSA-N 1 3 305.488 0.965 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC2(CN(CCCO)C2)CC1 ZINC001035706388 667402461 /nfs/dbraw/zinc/40/24/61/667402461.db2.gz NVGLCWSRQHMYCK-INIZCTEOSA-N 1 3 321.465 0.635 20 0 DCADHO COCC[C@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000884194117 667494769 /nfs/dbraw/zinc/49/47/69/667494769.db2.gz ZOVXLAUOAXMWEA-ZDUSSCGKSA-N 1 3 315.483 0.828 20 0 DCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(C(=O)Nc3ccc(O)cc3)CC2)C1 ZINC000923311393 667505551 /nfs/dbraw/zinc/50/55/51/667505551.db2.gz XIDAZPRYYVLMBP-RCBQFDQVSA-N 1 3 319.405 0.893 20 0 DCADHO Cc1nc(CN2CCC[C@H](N(C)[C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)no1 ZINC000923322426 667507358 /nfs/dbraw/zinc/50/73/58/667507358.db2.gz LGEBUVBHIOGBIC-XUXIUFHCSA-N 1 3 309.414 0.125 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCN1 ZINC000884266612 667511675 /nfs/dbraw/zinc/51/16/75/667511675.db2.gz AZNMDVGOLWVCAG-OAHLLOKOSA-N 1 3 317.437 0.561 20 0 DCADHO CC(C)CC(=O)N1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923416036 667527794 /nfs/dbraw/zinc/52/77/94/667527794.db2.gz KFEPYKVNPYSBCQ-HNNXBMFYSA-N 1 3 309.454 0.945 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364536 667532022 /nfs/dbraw/zinc/53/20/22/667532022.db2.gz SWLQOAZGYAAWGG-RRFJBIMHSA-N 1 3 304.438 0.688 20 0 DCADHO C[C@@H]1CN([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1C[NH3+] ZINC000923501307 667550882 /nfs/dbraw/zinc/55/08/82/667550882.db2.gz QDCVQAZAYZMRLZ-MGPQQGTHSA-N 1 3 305.426 0.832 20 0 DCADHO [NH3+]CCOCCN1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923540541 667557948 /nfs/dbraw/zinc/55/79/48/667557948.db2.gz JRERAZOBMSEIAB-GJZGRUSLSA-N 1 3 305.422 0.944 20 0 DCADHO COC(=O)[C@@H]1CCN(CCOCC[NH3+])[C@H]([C@H]2CCCO2)C1 ZINC000923554305 667560081 /nfs/dbraw/zinc/56/00/81/667560081.db2.gz MRUGKNJRXOLVNL-HZSPNIEDSA-N 1 3 300.399 0.394 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000884576471 667569378 /nfs/dbraw/zinc/56/93/78/667569378.db2.gz IKBDFMKUIBAHDS-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCC1(C)C ZINC000884711731 667597273 /nfs/dbraw/zinc/59/72/73/667597273.db2.gz XFLGXHAFCYYJCL-KRWDZBQOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000884776451 667605693 /nfs/dbraw/zinc/60/56/93/667605693.db2.gz UBLSTXAOIIPAJQ-KBUPBQIOSA-N 1 3 322.453 0.173 20 0 DCADHO Cn1nccc1CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872145291 667868488 /nfs/dbraw/zinc/86/84/88/667868488.db2.gz OIHXFXJBQSCZLN-CABCVRRESA-N 1 3 319.409 0.220 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=S)NCCC[NH+](C)C ZINC000748151314 667919863 /nfs/dbraw/zinc/91/98/63/667919863.db2.gz LONVRMYQVMXZCS-AWEZNQCLSA-N 1 3 316.515 0.855 20 0 DCADHO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246964 668069008 /nfs/dbraw/zinc/06/90/08/668069008.db2.gz FOAJQSHSLUCMIB-LRDDRELGSA-N 1 3 300.410 0.766 20 0 DCADHO CC[NH+]1CCC(N2C(=O)N[C@H](CN3CCCCC3)C2=O)CC1 ZINC000924440198 668206946 /nfs/dbraw/zinc/20/69/46/668206946.db2.gz HHAJASZICPUKBJ-CQSZACIVSA-N 1 3 308.426 0.877 20 0 DCADHO CN(CCO)CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000924998962 668262665 /nfs/dbraw/zinc/26/26/65/668262665.db2.gz NBCVUFHUFYNVCN-QGZVFWFLSA-N 1 3 319.449 0.906 20 0 DCADHO CC(=O)N1CCN(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925548907 668328212 /nfs/dbraw/zinc/32/82/12/668328212.db2.gz VCCNSPFRFORPAW-ROUUACIJSA-N 1 3 322.497 0.908 20 0 DCADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@]23COCCN2C(=O)COC3)C1 ZINC000925727743 668343165 /nfs/dbraw/zinc/34/31/65/668343165.db2.gz RHQUAUHQSJTIAX-XJKCOSOUSA-N 1 3 311.426 0.110 20 0 DCADHO C[C@H](NCCN1Cc2ccccc2OCC1=O)[C@@H]1CC[NH2+]C1 ZINC000925806037 668351488 /nfs/dbraw/zinc/35/14/88/668351488.db2.gz NUCWYOLEMCRRPN-UONOGXRCSA-N 1 3 303.406 0.995 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@H](O)C1 ZINC000875713036 668365461 /nfs/dbraw/zinc/36/54/61/668365461.db2.gz IQZVPQIABYKJPK-IHRRRGAJSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@H](O)C1 ZINC000875713036 668365463 /nfs/dbraw/zinc/36/54/63/668365463.db2.gz IQZVPQIABYKJPK-IHRRRGAJSA-N 1 3 300.447 0.329 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926167601 668381977 /nfs/dbraw/zinc/38/19/77/668381977.db2.gz DLODIUTXHBFZFR-TXCZRRACSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926167601 668381978 /nfs/dbraw/zinc/38/19/78/668381978.db2.gz DLODIUTXHBFZFR-TXCZRRACSA-N 1 3 311.470 0.924 20 0 DCADHO CN(C)C1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCC1 ZINC000763049547 668394296 /nfs/dbraw/zinc/39/42/96/668394296.db2.gz PZPXOXZSHFTCTF-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C)C1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCC1 ZINC000763049547 668394299 /nfs/dbraw/zinc/39/42/99/668394299.db2.gz PZPXOXZSHFTCTF-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927635524 668489434 /nfs/dbraw/zinc/48/94/34/668489434.db2.gz HCVOQKNZEVTINH-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927635524 668489439 /nfs/dbraw/zinc/48/94/39/668489439.db2.gz HCVOQKNZEVTINH-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876756953 668502880 /nfs/dbraw/zinc/50/28/80/668502880.db2.gz BGNDZNSCQMTCSM-TZMCWYRMSA-N 1 3 315.433 0.940 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876780908 668509554 /nfs/dbraw/zinc/50/95/54/668509554.db2.gz JMZIMCPMFWTMKQ-MGPQQGTHSA-N 1 3 300.422 0.076 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)CC1 ZINC000876780510 668509641 /nfs/dbraw/zinc/50/96/41/668509641.db2.gz WKOLKMIQNFTWHV-JKSUJKDBSA-N 1 3 318.421 0.883 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000876845693 668520125 /nfs/dbraw/zinc/52/01/25/668520125.db2.gz HHDFFXPANVLHOJ-LXZKKBNFSA-N 1 3 303.406 0.757 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876880957 668526757 /nfs/dbraw/zinc/52/67/57/668526757.db2.gz QZZVKPMDORUJKH-MWWKQMNYSA-N 1 3 308.470 0.638 20 0 DCADHO CC[NH2+][C@@H](C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206535 668576053 /nfs/dbraw/zinc/57/60/53/668576053.db2.gz JJNOVVJBQPELEX-NSHDSACASA-N 1 3 302.382 0.340 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000877450449 668619633 /nfs/dbraw/zinc/61/96/33/668619633.db2.gz BBAUQFXABNLRMR-FPMFFAJLSA-N 1 3 303.410 0.795 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000877621888 668633705 /nfs/dbraw/zinc/63/37/05/668633705.db2.gz XXXOPZYCTPFTMM-CQSZACIVSA-N 1 3 311.426 0.795 20 0 DCADHO C[NH+]1CCC(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000878510701 668734406 /nfs/dbraw/zinc/73/44/06/668734406.db2.gz QHPFCZNKETWSGS-AWEZNQCLSA-N 1 3 303.406 0.659 20 0 DCADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](CO)C1CC1)c1ccccc1 ZINC000771821810 668754285 /nfs/dbraw/zinc/75/42/85/668754285.db2.gz VWMDUMSTRVUJHD-HOTGVXAUSA-N 1 3 305.422 0.766 20 0 DCADHO C[NH+](C)CC1(O)CCN(CCC(=O)Nc2cccnc2)CC1 ZINC000931482626 669209825 /nfs/dbraw/zinc/20/98/25/669209825.db2.gz ZVNSUVCHOXHXPE-UHFFFAOYSA-N 1 3 306.410 0.799 20 0 DCADHO CCN1CC[C@@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000883769884 669747459 /nfs/dbraw/zinc/74/74/59/669747459.db2.gz DSIGVMFGBPJKLJ-LSDHHAIUSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000950247621 669985007 /nfs/dbraw/zinc/98/50/07/669985007.db2.gz BBQGXJPZFFTDKM-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000950247621 669985008 /nfs/dbraw/zinc/98/50/08/669985008.db2.gz BBQGXJPZFFTDKM-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO COC(=O)NC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346317 670700165 /nfs/dbraw/zinc/70/01/65/670700165.db2.gz WFVWJVJZRPEGHV-LBPRGKRZSA-N 1 3 316.446 0.509 20 0 DCADHO COC(=O)NC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346317 670700170 /nfs/dbraw/zinc/70/01/70/670700170.db2.gz WFVWJVJZRPEGHV-LBPRGKRZSA-N 1 3 316.446 0.509 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCSC1=O ZINC000855346281 670700686 /nfs/dbraw/zinc/70/06/86/670700686.db2.gz VEZLUEGADMLEEC-LBPRGKRZSA-N 1 3 316.471 0.543 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCSC1=O ZINC000855346281 670700690 /nfs/dbraw/zinc/70/06/90/670700690.db2.gz VEZLUEGADMLEEC-LBPRGKRZSA-N 1 3 316.471 0.543 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1cccnc1 ZINC000855346201 670700782 /nfs/dbraw/zinc/70/07/82/670700782.db2.gz RMXMBBMCVWWOLV-ZFWWWQNUSA-N 1 3 308.426 0.503 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1cccnc1 ZINC000855346201 670700786 /nfs/dbraw/zinc/70/07/86/670700786.db2.gz RMXMBBMCVWWOLV-ZFWWWQNUSA-N 1 3 308.426 0.503 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000848616882 670706165 /nfs/dbraw/zinc/70/61/65/670706165.db2.gz WSVMFXMQNLEAFS-SOUVJXGZSA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CO)c1cccnc1 ZINC000849029064 670752758 /nfs/dbraw/zinc/75/27/58/670752758.db2.gz ZWPRMADDTIPWPR-LSDHHAIUSA-N 1 3 305.426 0.756 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCC[NH2+]C(C)(C)C)cn1 ZINC000849612361 670827524 /nfs/dbraw/zinc/82/75/24/670827524.db2.gz KKVABUSMWXEOKS-HUUCEWRRSA-N 1 3 321.469 0.960 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNS(=O)(=O)Cc1ccccc1 ZINC000817891793 670951093 /nfs/dbraw/zinc/95/10/93/670951093.db2.gz HCYITPNHMUVPKC-LSDHHAIUSA-N 1 3 311.451 0.823 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817962870 670956811 /nfs/dbraw/zinc/95/68/11/670956811.db2.gz MJKPEKDBJZHAAV-RHSMWYFYSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)c2ccccc2O1 ZINC000852872799 671181373 /nfs/dbraw/zinc/18/13/73/671181373.db2.gz RMDVZEQSVKSKTL-NWDGAFQWSA-N 1 3 318.377 0.446 20 0 DCADHO C[NH+](C)CCCNC(=S)NC1CCN([C@H]2CCOC2)CC1 ZINC000853029083 671203373 /nfs/dbraw/zinc/20/33/73/671203373.db2.gz IDQBLAACWYJFJL-AWEZNQCLSA-N 1 3 314.499 0.656 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000841788190 671955108 /nfs/dbraw/zinc/95/51/08/671955108.db2.gz CUDXROCXJULKJD-VGWMRTNUSA-N 1 3 324.469 0.914 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841790522 671955420 /nfs/dbraw/zinc/95/54/20/671955420.db2.gz DSAOBAGPEOCMCP-SOUVJXGZSA-N 1 3 312.458 0.864 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016054 671974503 /nfs/dbraw/zinc/97/45/03/671974503.db2.gz RBBHAOCEGFUZLJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)N1CCCCC1 ZINC000842016305 671974655 /nfs/dbraw/zinc/97/46/55/671974655.db2.gz UALKXXBVSQZZKQ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000842016376 671974807 /nfs/dbraw/zinc/97/48/07/671974807.db2.gz UXVIBFJJSFBODN-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000843259871 672076380 /nfs/dbraw/zinc/07/63/80/672076380.db2.gz SJNRPKMWCJZDSE-CQSZACIVSA-N 1 3 310.442 0.222 20 0 DCADHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1[nH]nc2c1CNCC2 ZINC000843507696 672108675 /nfs/dbraw/zinc/10/86/75/672108675.db2.gz MHXDTEJUAZZYAL-HNNXBMFYSA-N 1 3 311.389 0.754 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCC[NH+]1CCCC1 ZINC000844034094 672140498 /nfs/dbraw/zinc/14/04/98/672140498.db2.gz JLZMFJLEMOZMGJ-OAHLLOKOSA-N 1 3 324.469 0.831 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000844037600 672141304 /nfs/dbraw/zinc/14/13/04/672141304.db2.gz KQBBAHFGDRACJI-CYBMUJFWSA-N 1 3 322.453 0.439 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1C[NH2+]CCC1(F)F ZINC000844180804 672158373 /nfs/dbraw/zinc/15/83/73/672158373.db2.gz TYUIHKBHMVKLDR-IJLUTSLNSA-N 1 3 303.353 0.211 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000846143766 672297193 /nfs/dbraw/zinc/29/71/93/672297193.db2.gz HNMWFJGDOTYVOK-CABCVRRESA-N 1 3 310.442 0.539 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867419937 672312241 /nfs/dbraw/zinc/31/22/41/672312241.db2.gz CODGZFHFGSCUDN-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867419937 672312243 /nfs/dbraw/zinc/31/22/43/672312243.db2.gz CODGZFHFGSCUDN-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558108 685426643 /nfs/dbraw/zinc/42/66/43/685426643.db2.gz KXPSXSQBGKRMPW-MELADBBJSA-N 1 3 310.442 0.618 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001024900810 693844040 /nfs/dbraw/zinc/84/40/40/693844040.db2.gz HXMAUYHVMKFFBD-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000958718455 687873047 /nfs/dbraw/zinc/87/30/47/687873047.db2.gz UWGSTUHHEJRWFL-HOTGVXAUSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000958718455 687873050 /nfs/dbraw/zinc/87/30/50/687873050.db2.gz UWGSTUHHEJRWFL-HOTGVXAUSA-N 1 3 305.422 0.791 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC000962400963 688901087 /nfs/dbraw/zinc/90/10/87/688901087.db2.gz BKHSVERBAPXKIS-WVZRYYJFSA-N 1 3 318.421 0.734 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC000962400963 688901091 /nfs/dbraw/zinc/90/10/91/688901091.db2.gz BKHSVERBAPXKIS-WVZRYYJFSA-N 1 3 318.421 0.734 20 0 DCADHO O=C(NC[C@@H]1CCN1C[C@H]1CCCOC1)C12CC[NH+](CC1)C2 ZINC001038924618 694242212 /nfs/dbraw/zinc/24/22/12/694242212.db2.gz DMUIQLJQHKTXLI-CABCVRRESA-N 1 3 307.438 0.699 20 0 DCADHO C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000965063756 689347911 /nfs/dbraw/zinc/34/79/11/689347911.db2.gz LVGVATWREIFHOU-IZHXIGCISA-N 1 3 309.454 0.726 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2CCOCC2)C1 ZINC001039027266 694278514 /nfs/dbraw/zinc/27/85/14/694278514.db2.gz JIOJYIMRRPQSJG-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2CCOCC2)C1 ZINC001039027266 694278518 /nfs/dbraw/zinc/27/85/18/694278518.db2.gz JIOJYIMRRPQSJG-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001039321522 694338593 /nfs/dbraw/zinc/33/85/93/694338593.db2.gz CPFHREQBWZJGCX-HNSVSWJLSA-N 1 3 309.454 0.965 20 0 DCADHO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1)C(N)=O ZINC001039321910 694339119 /nfs/dbraw/zinc/33/91/19/694339119.db2.gz WTOIMUYQKPJDNQ-AVOUXACISA-N 1 3 322.453 0.458 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000967924438 690123293 /nfs/dbraw/zinc/12/32/93/690123293.db2.gz IAWFXTMFNIISML-CABCVRRESA-N 1 3 320.441 0.180 20 0 DCADHO C[C@@H]1CCN(CCO)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000968525241 690304523 /nfs/dbraw/zinc/30/45/23/690304523.db2.gz OSLVAWIHWOEJJS-RHSMWYFYSA-N 1 3 323.481 0.927 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000968967149 690437824 /nfs/dbraw/zinc/43/78/24/690437824.db2.gz IRHKKAZVROMFPL-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000968967149 690437828 /nfs/dbraw/zinc/43/78/28/690437828.db2.gz IRHKKAZVROMFPL-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741481 692760672 /nfs/dbraw/zinc/76/06/72/692760672.db2.gz XPJRBMLQJVMVBS-NWPKHEMWSA-N 1 3 319.449 0.840 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1)C1CCC1 ZINC001018971622 693301426 /nfs/dbraw/zinc/30/14/26/693301426.db2.gz KYJRWGYYWOMDBX-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001019229994 693399977 /nfs/dbraw/zinc/39/99/77/693399977.db2.gz KHZSZFJVBGKYSI-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001019232315 693400496 /nfs/dbraw/zinc/40/04/96/693400496.db2.gz URSRXDGAVPRUNG-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3cncn3C)C2)C1 ZINC001019383193 693456328 /nfs/dbraw/zinc/45/63/28/693456328.db2.gz ZAZZIZASMKXJRE-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3cncn3C)C2)C1 ZINC001019383193 693456331 /nfs/dbraw/zinc/45/63/31/693456331.db2.gz ZAZZIZASMKXJRE-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001019386948 693458124 /nfs/dbraw/zinc/45/81/24/693458124.db2.gz ZQWYMZBGRBCCEZ-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001020152378 693715245 /nfs/dbraw/zinc/71/52/45/693715245.db2.gz IHVXJEXBNVAGPO-JHJVBQTASA-N 1 3 310.442 0.362 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001020178788 693724279 /nfs/dbraw/zinc/72/42/79/693724279.db2.gz FEKKFYLNWPLYPM-VGWMRTNUSA-N 1 3 307.438 0.887 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC3(C2)CC[NH+](CCO)CC3)C1 ZINC001040848544 694620521 /nfs/dbraw/zinc/62/05/21/694620521.db2.gz KOUPNQSNCAWVDB-OAHLLOKOSA-N 1 3 309.454 0.635 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2)N(C)C ZINC001072851308 694674871 /nfs/dbraw/zinc/67/48/71/694674871.db2.gz QOTLDHIEIPZJGX-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2)N(C)C ZINC001072851308 694674872 /nfs/dbraw/zinc/67/48/72/694674872.db2.gz QOTLDHIEIPZJGX-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755819 694777677 /nfs/dbraw/zinc/77/76/77/694777677.db2.gz KGAQMUWZXIRHKI-OAHLLOKOSA-N 1 3 313.442 0.182 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074563195 694908030 /nfs/dbraw/zinc/90/80/30/694908030.db2.gz XEHUZMHLHRXACZ-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)C(N)=O ZINC001074687091 694917089 /nfs/dbraw/zinc/91/70/89/694917089.db2.gz VUYOAHWCKYGZRJ-UBHSHLNASA-N 1 3 310.442 0.314 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3cnnn3C)[C@@H]2C)C1 ZINC001074878477 694928071 /nfs/dbraw/zinc/92/80/71/694928071.db2.gz ZATBBJOPFHNNHG-IPYPFGDCSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3cnnn3C)[C@@H]2C)C1 ZINC001074878477 694928072 /nfs/dbraw/zinc/92/80/72/694928072.db2.gz ZATBBJOPFHNNHG-IPYPFGDCSA-N 1 3 320.441 0.236 20 0 DCADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070411 694996940 /nfs/dbraw/zinc/99/69/40/694996940.db2.gz HWQNGPIBXMMRGX-HNCZQISISA-N 1 3 319.449 0.791 20 0 DCADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070411 694996941 /nfs/dbraw/zinc/99/69/41/694996941.db2.gz HWQNGPIBXMMRGX-HNCZQISISA-N 1 3 319.449 0.791 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001076589764 695030671 /nfs/dbraw/zinc/03/06/71/695030671.db2.gz NSRIRUKUDURVEG-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001076589764 695030672 /nfs/dbraw/zinc/03/06/72/695030672.db2.gz NSRIRUKUDURVEG-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076925385 695101442 /nfs/dbraw/zinc/10/14/42/695101442.db2.gz HOHQIKWPNNFZEP-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076925385 695101443 /nfs/dbraw/zinc/10/14/43/695101443.db2.gz HOHQIKWPNNFZEP-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CCC[NH2+]Cc1cnnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001571269545 1162689210 /nfs/dbraw/zinc/68/92/10/1162689210.db2.gz BBHSNMIKPCOZAJ-ZDUSSCGKSA-N 1 3 322.457 0.674 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCF ZINC001571580268 1162822861 /nfs/dbraw/zinc/82/28/61/1162822861.db2.gz MUFOTFZQRGGNTP-UONOGXRCSA-N 1 3 303.422 0.628 20 0 DCADHO C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCN(C2CCOCC2)CC1 ZINC001772535007 1157524892 /nfs/dbraw/zinc/52/48/92/1157524892.db2.gz ZFHZIQOPBTVKGY-IAGOWNOFSA-N 1 3 309.454 0.552 20 0 DCADHO CN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@H]1CCCCN1C ZINC001691364935 1157653677 /nfs/dbraw/zinc/65/36/77/1157653677.db2.gz KUORLWQDIBPWQW-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCC(=O)N(C)C ZINC001483098150 1158373939 /nfs/dbraw/zinc/37/39/39/1158373939.db2.gz ONWFYJWTSKMITB-UZYOAWRESA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCC(=O)N(C)C ZINC001483098150 1158373949 /nfs/dbraw/zinc/37/39/49/1158373949.db2.gz ONWFYJWTSKMITB-UZYOAWRESA-N 1 3 310.442 0.211 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001483097745 1158375197 /nfs/dbraw/zinc/37/51/97/1158375197.db2.gz MGUWLYVXWARVGS-MPNWYJEXSA-N 1 3 322.453 0.403 20 0 DCADHO CC(C)[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001752923238 1158479260 /nfs/dbraw/zinc/47/92/60/1158479260.db2.gz ABYQKJHITKEPGH-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001687482146 1158646416 /nfs/dbraw/zinc/64/64/16/1158646416.db2.gz JVGCDQBPXVQVGA-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001687482146 1158646421 /nfs/dbraw/zinc/64/64/21/1158646421.db2.gz JVGCDQBPXVQVGA-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@@H+](CC(N)=O)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001447731537 1159691015 /nfs/dbraw/zinc/69/10/15/1159691015.db2.gz BOTSWOYPWZWGIA-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+](CC(N)=O)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001447731537 1159691020 /nfs/dbraw/zinc/69/10/20/1159691020.db2.gz BOTSWOYPWZWGIA-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+](CC)[C@H]1CCCNC1=O)N(C)C ZINC001566555711 1160060424 /nfs/dbraw/zinc/06/04/24/1160060424.db2.gz URPUBVZRKQGZGG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+](CC)[C@H]1CCCNC1=O)N(C)C ZINC001566555711 1160060430 /nfs/dbraw/zinc/06/04/30/1160060430.db2.gz URPUBVZRKQGZGG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@](C)(CNCCF)C2CC2)CC1 ZINC001568030814 1160566036 /nfs/dbraw/zinc/56/60/36/1160566036.db2.gz HLYPVJISOFDGMJ-MRXNPFEDSA-N 1 3 315.433 0.941 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F)CCC1 ZINC001568564690 1160685445 /nfs/dbraw/zinc/68/54/45/1160685445.db2.gz YNYKFMSMCACYOJ-JTQLQIEISA-N 1 3 311.348 0.490 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC1CC1 ZINC001568713562 1160746586 /nfs/dbraw/zinc/74/65/86/1160746586.db2.gz HLTIDCDHZYTVBC-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001568911470 1160861792 /nfs/dbraw/zinc/86/17/92/1160861792.db2.gz FHLJCBOMLYIOHF-GJBLVYBDSA-N 1 3 324.469 0.505 20 0 DCADHO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCCCN1C ZINC001569214588 1160982113 /nfs/dbraw/zinc/98/21/13/1160982113.db2.gz LEVGKTFOUFUMNZ-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCn2cncn2)C1 ZINC001569556175 1161139092 /nfs/dbraw/zinc/13/90/92/1161139092.db2.gz XSAANTFPWNDTHG-CABCVRRESA-N 1 3 320.441 0.201 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCn1cccn1)N(C)C ZINC001569562286 1161149323 /nfs/dbraw/zinc/14/93/23/1161149323.db2.gz JMMWPSNEIJVKIR-GJZGRUSLSA-N 1 3 307.442 0.804 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCn1cccn1 ZINC001569565933 1161150631 /nfs/dbraw/zinc/15/06/31/1161150631.db2.gz HFWRGXFBGNVQTC-OAHLLOKOSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCO)CC2)C1 ZINC001570045035 1161390901 /nfs/dbraw/zinc/39/09/01/1161390901.db2.gz WSVGOBDQJAOMAG-JYJNAYRXSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CCC3CC3)C2)C1 ZINC001570153616 1161451665 /nfs/dbraw/zinc/45/16/65/1161451665.db2.gz PNIDBARUNRSPGB-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001574284429 1163684647 /nfs/dbraw/zinc/68/46/47/1163684647.db2.gz OVAVYIRCTINKHT-SJORKVTESA-N 1 3 317.433 0.614 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001574284429 1163684651 /nfs/dbraw/zinc/68/46/51/1163684651.db2.gz OVAVYIRCTINKHT-SJORKVTESA-N 1 3 317.433 0.614 20 0 DCADHO O=C1CCCCN1CC1CC[NH+](C[C@]2(O)CCCNC2)CC1 ZINC001574431127 1163722618 /nfs/dbraw/zinc/72/26/18/1163722618.db2.gz SZGFDFKSJJZJDF-KRWDZBQOSA-N 1 3 309.454 0.825 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001575139130 1163912719 /nfs/dbraw/zinc/91/27/19/1163912719.db2.gz ILMJBRDQQJKHLR-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001575347569 1163982907 /nfs/dbraw/zinc/98/29/07/1163982907.db2.gz BGJFNVSXXJIWHL-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)C[C@H](CNCc1c[nH]nn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575360378 1163987812 /nfs/dbraw/zinc/98/78/12/1163987812.db2.gz HUMHECCWPLLHQC-ZIAGYGMSSA-N 1 3 322.457 0.767 20 0 DCADHO CC(C)C[C@H](CNCc1c[nH]nn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575360378 1163987816 /nfs/dbraw/zinc/98/78/16/1163987816.db2.gz HUMHECCWPLLHQC-ZIAGYGMSSA-N 1 3 322.457 0.767 20 0 DCADHO CC1(C)CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCO ZINC001576458019 1164350634 /nfs/dbraw/zinc/35/06/34/1164350634.db2.gz UTUQQMBDVPMLDK-OAHLLOKOSA-N 1 3 311.470 0.534 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576821699 1164483853 /nfs/dbraw/zinc/48/38/53/1164483853.db2.gz HXWLTLCJGIMDKN-GJZGRUSLSA-N 1 3 320.441 0.412 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CCc1cn[nH]n1 ZINC001576821699 1164483858 /nfs/dbraw/zinc/48/38/58/1164483858.db2.gz HXWLTLCJGIMDKN-GJZGRUSLSA-N 1 3 320.441 0.412 20 0 DCADHO C[C@@H]1CNC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC001576850595 1164495616 /nfs/dbraw/zinc/49/56/16/1164495616.db2.gz UVMGVNDFSOYGDC-KHEOEIQESA-N 1 3 308.470 0.658 20 0 DCADHO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cnccc2N)CC1 ZINC001576853124 1164496410 /nfs/dbraw/zinc/49/64/10/1164496410.db2.gz HBKDPUMWHYJBKO-LBPRGKRZSA-N 1 3 304.394 0.819 20 0 DCADHO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cnccc2N)CC1 ZINC001576853124 1164496427 /nfs/dbraw/zinc/49/64/27/1164496427.db2.gz HBKDPUMWHYJBKO-LBPRGKRZSA-N 1 3 304.394 0.819 20 0 DCADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC001577939780 1164852552 /nfs/dbraw/zinc/85/25/52/1164852552.db2.gz QZNFAQZPCQSCLN-YUMQZZPRSA-N 1 3 320.333 0.479 20 0 DCADHO CCOCCCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001578107800 1164923325 /nfs/dbraw/zinc/92/33/25/1164923325.db2.gz KRZNPHKRASWNSX-GJZGRUSLSA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)NC[C@@H]1CC[NH2+]1 ZINC001578412452 1165005196 /nfs/dbraw/zinc/00/51/96/1165005196.db2.gz MURAIHKNRJUPRC-KBPBESRZSA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)CCN(CCc1ccccc1)C(=O)C[C@]1(O)CC[NH2+]C1 ZINC001578417172 1165007310 /nfs/dbraw/zinc/00/73/10/1165007310.db2.gz PUMUWSADCGLXHC-GOSISDBHSA-N 1 3 319.449 0.734 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001578529212 1165047598 /nfs/dbraw/zinc/04/75/98/1165047598.db2.gz QUIFCQWKMOVMPZ-MRVWCRGKSA-N 1 3 303.410 0.985 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3C[NH2+]CCC34CCC4)C2)CC1 ZINC001578533218 1165048073 /nfs/dbraw/zinc/04/80/73/1165048073.db2.gz BKXYHVDTNFAYRR-MRXNPFEDSA-N 1 3 320.481 0.472 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001578533432 1165048331 /nfs/dbraw/zinc/04/83/31/1165048331.db2.gz HWDZBLAOBFWETP-CHWSQXEVSA-N 1 3 315.437 0.093 20 0 DCADHO CN1CCN(CCNC(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)CC1(C)C ZINC001578533506 1165048973 /nfs/dbraw/zinc/04/89/73/1165048973.db2.gz LQACMNLRTSNYFY-WMLDXEAASA-N 1 3 308.470 0.661 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC001579038366 1165191821 /nfs/dbraw/zinc/19/18/21/1165191821.db2.gz GMPPAQSCBBLTHD-CJNGLKHVSA-N 1 3 310.442 0.620 20 0 DCADHO COCCOCCN(CCO)Cc1cccc2c1CC[NH2+]C2 ZINC001579059386 1165195473 /nfs/dbraw/zinc/19/54/73/1165195473.db2.gz UNNJGOIEPMVUJP-UHFFFAOYSA-N 1 3 308.422 0.790 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC001580206111 1165537114 /nfs/dbraw/zinc/53/71/14/1165537114.db2.gz CKFNCSJMCNWWQM-UTUOFQBUSA-N 1 3 323.359 0.883 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C23CCC[NH+](CCC2)C3)n1 ZINC001580335760 1165575298 /nfs/dbraw/zinc/57/52/98/1165575298.db2.gz WVCZWAFIFFIZTO-UHFFFAOYSA-N 1 3 305.382 0.133 20 0 DCADHO NS(=O)(=O)NC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC001580362858 1165585240 /nfs/dbraw/zinc/58/52/40/1165585240.db2.gz QRUIHZGYVKSWFU-UHFFFAOYSA-N 1 3 324.450 0.090 20 0 DCADHO O=C(CN1CCN(CCC2C[NH2+]C2)CC1)NC1CCCCC1 ZINC001580549786 1165636219 /nfs/dbraw/zinc/63/62/19/1165636219.db2.gz WOQQBUCBWOKLTE-UHFFFAOYSA-N 1 3 308.470 0.662 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001580654865 1165675423 /nfs/dbraw/zinc/67/54/23/1165675423.db2.gz PABMYVYMAYGTKL-AAEUAGOBSA-N 1 3 323.359 0.491 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001584752390 1166364617 /nfs/dbraw/zinc/36/46/17/1166364617.db2.gz JIKSOOJYBSDURH-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1C[NH3+] ZINC001603933514 1169441107 /nfs/dbraw/zinc/44/11/07/1169441107.db2.gz WHFNTIAQSKHPKJ-DFBGVHRSSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1C[NH3+] ZINC001603933514 1169441109 /nfs/dbraw/zinc/44/11/09/1169441109.db2.gz WHFNTIAQSKHPKJ-DFBGVHRSSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C[NH3+] ZINC001603933514 1169441115 /nfs/dbraw/zinc/44/11/15/1169441115.db2.gz WHFNTIAQSKHPKJ-DFBGVHRSSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C[NH3+] ZINC001603933514 1169441118 /nfs/dbraw/zinc/44/11/18/1169441118.db2.gz WHFNTIAQSKHPKJ-DFBGVHRSSA-N 1 3 316.409 0.817 20 0 DCADHO C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001604894699 1169735189 /nfs/dbraw/zinc/73/51/89/1169735189.db2.gz QKGRLQYJKCKQCF-SNVBAGLBSA-N 1 3 308.361 0.892 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001646149990 1172274148 /nfs/dbraw/zinc/27/41/48/1172274148.db2.gz JDVTXQBBIVSXPF-INIZCTEOSA-N 1 3 320.437 0.024 20 0 DCADHO O[C@H](CNC[C@@H]1CCC[N@H+](CC2CC2)C1)C[C@]1(O)CCOC1 ZINC001646522619 1172412647 /nfs/dbraw/zinc/41/26/47/1172412647.db2.gz REXSTPMSLBQMBU-YESZJQIVSA-N 1 3 312.454 0.600 20 0 DCADHO O[C@H](CNC[C@@H]1CCC[N@@H+](CC2CC2)C1)C[C@]1(O)CCOC1 ZINC001646522619 1172412650 /nfs/dbraw/zinc/41/26/50/1172412650.db2.gz REXSTPMSLBQMBU-YESZJQIVSA-N 1 3 312.454 0.600 20 0 DCADHO C[C@H]1[C@@H](NC(=O)c2cnn3cc(CC[NH3+])cnc23)CCN1C ZINC001646800332 1172540148 /nfs/dbraw/zinc/54/01/48/1172540148.db2.gz OGGVUUFWYYEUQN-GWCFXTLKSA-N 1 3 302.382 0.053 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)NCC[NH3+])c2)CC1 ZINC001649838603 1173250719 /nfs/dbraw/zinc/25/07/19/1173250719.db2.gz VWQHQWPMPUTUQP-UHFFFAOYSA-N 1 3 305.426 0.192 20 0 DCADHO C[C@H](CNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2)CN1CCN(C)CC1 ZINC001650163752 1173491435 /nfs/dbraw/zinc/49/14/35/1173491435.db2.gz QQCPIZZOBXSYLU-VYDXJSESSA-N 1 3 323.485 0.311 20 0 DCADHO CN1CCNC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001650339080 1173578123 /nfs/dbraw/zinc/57/81/23/1173578123.db2.gz RTQFRZCCIGUKPO-INIZCTEOSA-N 1 3 308.470 0.803 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001662573579 1174217309 /nfs/dbraw/zinc/21/73/09/1174217309.db2.gz YSAKZSLRPRNXAU-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001666992078 1174654886 /nfs/dbraw/zinc/65/48/86/1174654886.db2.gz LDHJNRZTFTUIEQ-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001669188636 1174907103 /nfs/dbraw/zinc/90/71/03/1174907103.db2.gz GZCZPEPIOPRNCT-KXLSMFKISA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001669188636 1174907110 /nfs/dbraw/zinc/90/71/10/1174907110.db2.gz GZCZPEPIOPRNCT-KXLSMFKISA-N 1 3 324.469 0.455 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)C12CCC[NH+]1CCC2 ZINC001670161975 1174986936 /nfs/dbraw/zinc/98/69/36/1174986936.db2.gz AQJVTZWJDVCHOI-UHFFFAOYSA-N 1 3 319.453 0.987 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC001689546850 1176942254 /nfs/dbraw/zinc/94/22/54/1176942254.db2.gz KVPYASCURADORJ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H]1CCCNC1=O ZINC001689936216 1177118565 /nfs/dbraw/zinc/11/85/65/1177118565.db2.gz IEOMKWOBPQYZPL-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H]1CCCNC1=O ZINC001689936216 1177118569 /nfs/dbraw/zinc/11/85/69/1177118569.db2.gz IEOMKWOBPQYZPL-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCn1cncn1 ZINC001698747235 1177627533 /nfs/dbraw/zinc/62/75/33/1177627533.db2.gz BMQFGTJENXXFPD-GJZGRUSLSA-N 1 3 322.457 0.493 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001698923597 1177723050 /nfs/dbraw/zinc/72/30/50/1177723050.db2.gz PWZDOXIVCISTKC-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)C1CCC1 ZINC001699105444 1177860291 /nfs/dbraw/zinc/86/02/91/1177860291.db2.gz UXSSSVIFMXIRRF-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO COc1nccc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001699160572 1177901112 /nfs/dbraw/zinc/90/11/12/1177901112.db2.gz ACPITOCOHLLWAY-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001699160572 1177901120 /nfs/dbraw/zinc/90/11/20/1177901120.db2.gz ACPITOCOHLLWAY-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C ZINC001700276753 1178565174 /nfs/dbraw/zinc/56/51/74/1178565174.db2.gz YMBOYRKUKQEANZ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001700950596 1178826374 /nfs/dbraw/zinc/82/63/74/1178826374.db2.gz FRLLBDSCRPGARA-INIZCTEOSA-N 1 3 316.405 0.604 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001713206279 1180719430 /nfs/dbraw/zinc/71/94/30/1180719430.db2.gz LERANMJKOVPRKN-BETUJISGSA-N 1 3 319.409 0.024 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@@H]2CCc3ncnn32)CCC1 ZINC001714715510 1181499446 /nfs/dbraw/zinc/49/94/46/1181499446.db2.gz KBNAHGZTLVXDEJ-ZDUSSCGKSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714797162 1181551412 /nfs/dbraw/zinc/55/14/12/1181551412.db2.gz WPTQORHVLKQFEC-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714797162 1181551419 /nfs/dbraw/zinc/55/14/19/1181551419.db2.gz WPTQORHVLKQFEC-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715697102 1181946364 /nfs/dbraw/zinc/94/63/64/1181946364.db2.gz MEUUWBQNPHMDGN-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001715697102 1181946372 /nfs/dbraw/zinc/94/63/72/1181946372.db2.gz MEUUWBQNPHMDGN-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1cc2n(n1)CCC2)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715706340 1181949467 /nfs/dbraw/zinc/94/94/67/1181949467.db2.gz ISCLCBIGGQMEPC-KBPBESRZSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@@H](CCNCc1cc2n(n1)CCC2)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715706340 1181949474 /nfs/dbraw/zinc/94/94/74/1181949474.db2.gz ISCLCBIGGQMEPC-KBPBESRZSA-N 1 3 319.453 0.765 20 0 DCADHO CCN(CC[NH2+]CCO[C@H]1CC1(F)F)C(=O)[C@@H]1CCCN1C ZINC001715724766 1181959731 /nfs/dbraw/zinc/95/97/31/1181959731.db2.gz XPAVPAPOLDUUBW-STQMWFEESA-N 1 3 319.396 0.943 20 0 DCADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001715906888 1182092694 /nfs/dbraw/zinc/09/26/94/1182092694.db2.gz GKJJYWISXKOQHU-BOPNBLERSA-N 1 3 318.425 0.123 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001716224877 1182264857 /nfs/dbraw/zinc/26/48/57/1182264857.db2.gz YHFGUOVEQXUQEE-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO Cn1ccc(C[NH2+]C/C=C/CNC(=O)CN2CCCC2)cc1=O ZINC001716376345 1182365641 /nfs/dbraw/zinc/36/56/41/1182365641.db2.gz XJAIGJIPNVKAEX-NSCUHMNNSA-N 1 3 318.421 0.243 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CNCCS(C)(=O)=O)C(C)(C)C ZINC001717966728 1183090780 /nfs/dbraw/zinc/09/07/80/1183090780.db2.gz PSJJERNSWVXJNX-GFCCVEGCSA-N 1 3 321.487 0.103 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]CCN(CCO)C(=O)Cc2c[nH]cn2)CCO1 ZINC001724682735 1184518412 /nfs/dbraw/zinc/51/84/12/1184518412.db2.gz ZYTIROSQIZXQTR-KGLIPLIRSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCOCC(F)F ZINC001725192018 1184714659 /nfs/dbraw/zinc/71/46/59/1184714659.db2.gz HFIZUWISDIOCMR-RYUDHWBXSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCOCC(F)F ZINC001725192018 1184714663 /nfs/dbraw/zinc/71/46/63/1184714663.db2.gz HFIZUWISDIOCMR-RYUDHWBXSA-N 1 3 307.385 0.656 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCO ZINC001725711278 1184960814 /nfs/dbraw/zinc/96/08/14/1184960814.db2.gz RLJXOJZUWZNQRB-LSDHHAIUSA-N 1 3 315.458 0.041 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCO ZINC001725711276 1184961411 /nfs/dbraw/zinc/96/14/11/1184961411.db2.gz RLJXOJZUWZNQRB-GJZGRUSLSA-N 1 3 315.458 0.041 20 0 DCADHO CN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@H]1CCN(C)C1=O ZINC001731270531 1185231315 /nfs/dbraw/zinc/23/13/15/1185231315.db2.gz VLGQEDMBKAUZNQ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCNC(=O)C2CC2)CCC1 ZINC001731918741 1185572212 /nfs/dbraw/zinc/57/22/12/1185572212.db2.gz XUTPKJDCYQWCNK-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCC(=O)NC2CC2)CC1 ZINC001731966764 1185612947 /nfs/dbraw/zinc/61/29/47/1185612947.db2.gz HNOAECHVBFKTLZ-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@@H](NC/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001732884485 1186035932 /nfs/dbraw/zinc/03/59/32/1186035932.db2.gz BRLRFBACIXCJOT-ISZGNANSSA-N 1 3 322.453 0.354 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C ZINC001732945008 1186074738 /nfs/dbraw/zinc/07/47/38/1186074738.db2.gz YVICUGIHLVTTSO-AZJURWTESA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C ZINC001732945008 1186074743 /nfs/dbraw/zinc/07/47/43/1186074743.db2.gz YVICUGIHLVTTSO-AZJURWTESA-N 1 3 324.469 0.600 20 0 DCADHO CN(CCCNCC(=O)Nc1ccon1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733143087 1186160734 /nfs/dbraw/zinc/16/07/34/1186160734.db2.gz BSFWQRUVKJTOAW-LBPRGKRZSA-N 1 3 323.397 0.003 20 0 DCADHO CN(CCCNCC(=O)Nc1ccon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001733143087 1186160738 /nfs/dbraw/zinc/16/07/38/1186160738.db2.gz BSFWQRUVKJTOAW-LBPRGKRZSA-N 1 3 323.397 0.003 20 0 DCADHO CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001733826741 1186465109 /nfs/dbraw/zinc/46/51/09/1186465109.db2.gz JAUOFVWPCOAMLJ-INIZCTEOSA-N 1 3 315.458 0.306 20 0 DCADHO CCCCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001733853103 1186475605 /nfs/dbraw/zinc/47/56/05/1186475605.db2.gz XMUIGPOSVQPEIL-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001738697147 1187631330 /nfs/dbraw/zinc/63/13/30/1187631330.db2.gz FVSJJYLEHXVDPD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001742902607 1188074617 /nfs/dbraw/zinc/07/46/17/1188074617.db2.gz OSCWHLKPMMGODC-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001742902607 1188074623 /nfs/dbraw/zinc/07/46/23/1188074623.db2.gz OSCWHLKPMMGODC-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001753039799 1188481261 /nfs/dbraw/zinc/48/12/61/1188481261.db2.gz KGNXRCJDANHQKP-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753039799 1188481262 /nfs/dbraw/zinc/48/12/62/1188481262.db2.gz KGNXRCJDANHQKP-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCc1cnn(C)c1 ZINC001754018217 1188712593 /nfs/dbraw/zinc/71/25/93/1188712593.db2.gz PSWWMZVABITQST-GFCCVEGCSA-N 1 3 318.425 0.721 20 0 DCADHO CCn1cc(CC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001754245863 1188797353 /nfs/dbraw/zinc/79/73/53/1188797353.db2.gz QPDOGYMGWADBNJ-HUUCEWRRSA-N 1 3 321.469 0.882 20 0 DCADHO O=S1(=O)CCCN1CCN1CCCC2(CC[NH2+]CC2)C1 ZINC001772037135 1190415630 /nfs/dbraw/zinc/41/56/30/1190415630.db2.gz HHDOOTFKXQMAAB-UHFFFAOYSA-N 1 3 301.456 0.488 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001772071061 1190604001 /nfs/dbraw/zinc/60/40/01/1190604001.db2.gz CYJRJJOORWAFKD-ZJIFWQFVSA-N 1 3 300.406 0.893 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CC1 ZINC001772229000 1190636984 /nfs/dbraw/zinc/63/69/84/1190636984.db2.gz WRDBZOXRCQTKIP-QXSJWSMHSA-N 1 3 309.454 0.975 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC001772235439 1190638610 /nfs/dbraw/zinc/63/86/10/1190638610.db2.gz WEENZIGXCSEXSO-ZFWWWQNUSA-N 1 3 308.426 0.188 20 0 DCADHO C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC001772258248 1190645564 /nfs/dbraw/zinc/64/55/64/1190645564.db2.gz WGMNSDNNKLOBCE-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO CN1CCNC[C@@H]1c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212224445 751358171 /nfs/dbraw/zinc/35/81/71/751358171.db2.gz MLTKKHOJQWTHIR-CYBMUJFWSA-N 1 3 300.366 0.353 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccnc(N(C)C)c2)CC[N@@H+]1C ZINC001127685459 751628222 /nfs/dbraw/zinc/62/82/22/751628222.db2.gz OQVMGIQZFLJQFY-UKRRQHHQSA-N 1 3 319.453 0.694 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccnc(N(C)C)c2)CC[N@H+]1C ZINC001127685459 751628232 /nfs/dbraw/zinc/62/82/32/751628232.db2.gz OQVMGIQZFLJQFY-UKRRQHHQSA-N 1 3 319.453 0.694 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)Cc1cccc(F)c1F ZINC001238878214 752045494 /nfs/dbraw/zinc/04/54/94/752045494.db2.gz AGTBAYZHOXQAPC-UHFFFAOYSA-N 1 3 321.393 0.713 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001149131009 746956290 /nfs/dbraw/zinc/95/62/90/746956290.db2.gz SGMMRCXKBIHVKY-CYBMUJFWSA-N 1 3 310.398 0.162 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001100442720 747052467 /nfs/dbraw/zinc/05/24/67/747052467.db2.gz SJWOXHDDXGBLNO-SSDMNJCBSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CCCCC1)N(C)C ZINC001115582328 747112226 /nfs/dbraw/zinc/11/22/26/747112226.db2.gz WAPHQDVAXHHJDV-AWEZNQCLSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001100683424 747613707 /nfs/dbraw/zinc/61/37/07/747613707.db2.gz ANSYBMPHQYOMHK-PIMMBPRGSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275258 747679452 /nfs/dbraw/zinc/67/94/52/747679452.db2.gz VQSHWXRKJMBCOC-HRCADAONSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)CCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275258 747679456 /nfs/dbraw/zinc/67/94/56/747679456.db2.gz VQSHWXRKJMBCOC-HRCADAONSA-N 1 3 309.454 0.896 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104679660 747827364 /nfs/dbraw/zinc/82/73/64/747827364.db2.gz MCGPUQLUHOLEDH-RRFJBIMHSA-N 1 3 324.469 0.148 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259659 748086587 /nfs/dbraw/zinc/08/65/87/748086587.db2.gz HEXJTLYCUJULFJ-OAHLLOKOSA-N 1 3 320.441 0.501 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C[C@@H](O)COC)CC1 ZINC001167814994 748368652 /nfs/dbraw/zinc/36/86/52/748368652.db2.gz LDUJERGEKQNMAO-CQSZACIVSA-N 1 3 315.458 0.212 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001167815597 748369210 /nfs/dbraw/zinc/36/92/10/748369210.db2.gz UUGMVNWNKIDFSV-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO N=C(Nc1cncc(OCCN2CCCC2)n1)SCC[NH3+] ZINC001167909002 748506688 /nfs/dbraw/zinc/50/66/88/748506688.db2.gz CFXJAVGOFSNUQQ-UHFFFAOYSA-N 1 3 310.427 0.990 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CC ZINC001087665590 749013833 /nfs/dbraw/zinc/01/38/33/749013833.db2.gz XPNKOALCCQSXTH-IIQDSTNVSA-N 1 3 307.438 0.839 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CC ZINC001087665590 749013835 /nfs/dbraw/zinc/01/38/35/749013835.db2.gz XPNKOALCCQSXTH-IIQDSTNVSA-N 1 3 307.438 0.839 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086558611 761931347 /nfs/dbraw/zinc/93/13/47/761931347.db2.gz DYZNFNGANQGOQI-ZQDZILKHSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088105931 749240881 /nfs/dbraw/zinc/24/08/81/749240881.db2.gz IBIMBORHBSWLBR-OAGGEKHMSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088105931 749240887 /nfs/dbraw/zinc/24/08/87/749240887.db2.gz IBIMBORHBSWLBR-OAGGEKHMSA-N 1 3 309.454 0.633 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC1 ZINC001088373813 749405932 /nfs/dbraw/zinc/40/59/32/749405932.db2.gz PTPWZEHRUAMVOF-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001088757053 749978126 /nfs/dbraw/zinc/97/81/26/749978126.db2.gz GHCJOJCKXVHCFU-GQGDVANPSA-N 1 3 307.438 0.839 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001088757053 749978129 /nfs/dbraw/zinc/97/81/29/749978129.db2.gz GHCJOJCKXVHCFU-GQGDVANPSA-N 1 3 307.438 0.839 20 0 DCADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520376 750085905 /nfs/dbraw/zinc/08/59/05/750085905.db2.gz HZHAOTZWEBWMDH-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518886 750087381 /nfs/dbraw/zinc/08/73/81/750087381.db2.gz VOGMVIMRCMUCAL-XHSDSOJGSA-N 1 3 311.470 0.926 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518886 750087385 /nfs/dbraw/zinc/08/73/85/750087385.db2.gz VOGMVIMRCMUCAL-XHSDSOJGSA-N 1 3 311.470 0.926 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077311877 750339866 /nfs/dbraw/zinc/33/98/66/750339866.db2.gz CLUPUANOEBYCOZ-KCPJHIHWSA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001077311877 750339871 /nfs/dbraw/zinc/33/98/71/750339871.db2.gz CLUPUANOEBYCOZ-KCPJHIHWSA-N 1 3 318.377 0.144 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCn1cccn1 ZINC001089038526 750773836 /nfs/dbraw/zinc/77/38/36/750773836.db2.gz AHZOPFJCWXVLCP-ILXRZTDVSA-N 1 3 305.426 0.414 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCn1cccn1 ZINC001089038526 750773840 /nfs/dbraw/zinc/77/38/40/750773840.db2.gz AHZOPFJCWXVLCP-ILXRZTDVSA-N 1 3 305.426 0.414 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCc1cnn(C)c1 ZINC001089038836 750774722 /nfs/dbraw/zinc/77/47/22/750774722.db2.gz MUWWEMBEHCBESP-BMFZPTHFSA-N 1 3 319.453 0.493 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCc1cnn(C)c1 ZINC001089038836 750774723 /nfs/dbraw/zinc/77/47/23/750774723.db2.gz MUWWEMBEHCBESP-BMFZPTHFSA-N 1 3 319.453 0.493 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001077506321 750873903 /nfs/dbraw/zinc/87/39/03/750873903.db2.gz QOSMHDWOOOIUOJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nnc([C@H](C)NC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106626812 751208632 /nfs/dbraw/zinc/20/86/32/751208632.db2.gz MEBZRRVPWLZBSK-MBNYWOFBSA-N 1 3 322.457 0.810 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668435 751222497 /nfs/dbraw/zinc/22/24/97/751222497.db2.gz KMWSPJPKEKCCKH-ZIAGYGMSSA-N 1 3 324.469 0.148 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(N)=O)C[C@@H]2C)CC1 ZINC001044790121 752876529 /nfs/dbraw/zinc/87/65/29/752876529.db2.gz BOSLCGHKSTZDEW-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001045181459 753077952 /nfs/dbraw/zinc/07/79/52/753077952.db2.gz IMVOQNHJMGWFEI-AWEZNQCLSA-N 1 3 320.441 0.238 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC1CCOCC1 ZINC001045220007 753097552 /nfs/dbraw/zinc/09/75/52/753097552.db2.gz XECBVWGSNXLERI-HNNXBMFYSA-N 1 3 306.410 0.959 20 0 DCADHO CN1CCC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001045312285 753141794 /nfs/dbraw/zinc/14/17/94/753141794.db2.gz ZADTURZCJVFAKD-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CC)N(C)C ZINC001078395530 753219934 /nfs/dbraw/zinc/21/99/34/753219934.db2.gz HNELGHDSQSLFMA-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)CC[N@@H+](C)CC)N(C)C ZINC001078395530 753219939 /nfs/dbraw/zinc/21/99/39/753219939.db2.gz HNELGHDSQSLFMA-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001046064170 753457380 /nfs/dbraw/zinc/45/73/80/753457380.db2.gz HDBZGZLWBMBHPF-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001046064170 753457381 /nfs/dbraw/zinc/45/73/81/753457381.db2.gz HDBZGZLWBMBHPF-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)CC1 ZINC001046589084 753811957 /nfs/dbraw/zinc/81/19/57/753811957.db2.gz XMEPIHADEQUXBS-KRWDZBQOSA-N 1 3 319.453 0.806 20 0 DCADHO Cn1cc(CCN2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001046831375 753965881 /nfs/dbraw/zinc/96/58/81/753965881.db2.gz KFINCOBJZXJYDX-DOTOQJQBSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001046831375 753965883 /nfs/dbraw/zinc/96/58/83/753965883.db2.gz KFINCOBJZXJYDX-DOTOQJQBSA-N 1 3 319.453 0.495 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N1CCCCC1 ZINC001168747885 754100819 /nfs/dbraw/zinc/10/08/19/754100819.db2.gz SDJGTPPIBAVCBS-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047380682 754227917 /nfs/dbraw/zinc/22/79/17/754227917.db2.gz RKYOQPOSUSMOQZ-JYJNAYRXSA-N 1 3 309.454 0.773 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047380682 754227924 /nfs/dbraw/zinc/22/79/24/754227924.db2.gz RKYOQPOSUSMOQZ-JYJNAYRXSA-N 1 3 309.454 0.773 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001128786339 754288293 /nfs/dbraw/zinc/28/82/93/754288293.db2.gz VIVIOYREMJYUPJ-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001128786339 754288300 /nfs/dbraw/zinc/28/83/00/754288300.db2.gz VIVIOYREMJYUPJ-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC001168756141 754433400 /nfs/dbraw/zinc/43/34/00/754433400.db2.gz VPVMNBUUIPQHLM-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048833071 754967587 /nfs/dbraw/zinc/96/75/87/754967587.db2.gz JMQHLRCNCYMFFB-YVSFHVDLSA-N 1 3 319.449 0.650 20 0 DCADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001048833071 754967592 /nfs/dbraw/zinc/96/75/92/754967592.db2.gz JMQHLRCNCYMFFB-YVSFHVDLSA-N 1 3 319.449 0.650 20 0 DCADHO Cc1oncc1CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049212346 755182512 /nfs/dbraw/zinc/18/25/12/755182512.db2.gz BDOAZKIGEKOQGQ-CWRNSKLLSA-N 1 3 318.421 0.825 20 0 DCADHO Cc1oncc1CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049212346 755182515 /nfs/dbraw/zinc/18/25/15/755182515.db2.gz BDOAZKIGEKOQGQ-CWRNSKLLSA-N 1 3 318.421 0.825 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049235010 755197255 /nfs/dbraw/zinc/19/72/55/755197255.db2.gz KGQWEEXXWKSVQN-IYBDPMFKSA-N 1 3 317.433 0.744 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049235010 755197258 /nfs/dbraw/zinc/19/72/58/755197258.db2.gz KGQWEEXXWKSVQN-IYBDPMFKSA-N 1 3 317.433 0.744 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001063857018 755274543 /nfs/dbraw/zinc/27/45/43/755274543.db2.gz SGKKPFPZJNUVOW-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001063857018 755274547 /nfs/dbraw/zinc/27/45/47/755274547.db2.gz SGKKPFPZJNUVOW-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO)N1CCCC1 ZINC001049627805 755339970 /nfs/dbraw/zinc/33/99/70/755339970.db2.gz BVABKXVQVKHLRD-LSDHHAIUSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO)N1CCCC1 ZINC001049627805 755339979 /nfs/dbraw/zinc/33/99/79/755339979.db2.gz BVABKXVQVKHLRD-LSDHHAIUSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2CCO)[NH+]1CCCC1 ZINC001049627805 755339985 /nfs/dbraw/zinc/33/99/85/755339985.db2.gz BVABKXVQVKHLRD-LSDHHAIUSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564874 755681026 /nfs/dbraw/zinc/68/10/26/755681026.db2.gz WOIZEGXJWFXAQC-UAEIHBMGSA-N 1 3 319.449 0.980 20 0 DCADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001097564874 755681027 /nfs/dbraw/zinc/68/10/27/755681027.db2.gz WOIZEGXJWFXAQC-UAEIHBMGSA-N 1 3 319.449 0.980 20 0 DCADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080384023 756186127 /nfs/dbraw/zinc/18/61/27/756186127.db2.gz HPVKRXZQRFNGMX-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082743475 757253855 /nfs/dbraw/zinc/25/38/55/757253855.db2.gz DGTAPBLCYUWXJG-MGPQQGTHSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCn1cncn1 ZINC001082742698 757254200 /nfs/dbraw/zinc/25/42/00/757254200.db2.gz PBKPNERMTUTMTN-RRFJBIMHSA-N 1 3 320.441 0.056 20 0 DCADHO COCC[C@H](N)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001119354677 757580762 /nfs/dbraw/zinc/58/07/62/757580762.db2.gz GNYAWFDHUNEQBX-AWEZNQCLSA-N 1 3 301.431 0.310 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCNCc1ccnc(OC)n1 ZINC001170212356 762568337 /nfs/dbraw/zinc/56/83/37/762568337.db2.gz VPMBPOUYHSAUJC-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCNCc1ccnc(OC)n1 ZINC001170212356 762568343 /nfs/dbraw/zinc/56/83/43/762568343.db2.gz VPMBPOUYHSAUJC-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050546313 757824525 /nfs/dbraw/zinc/82/45/25/757824525.db2.gz NJIHUEVMBORWFX-HIFRSBDPSA-N 1 3 309.454 0.632 20 0 DCADHO CC[NH+]1CCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598374 757882197 /nfs/dbraw/zinc/88/21/97/757882197.db2.gz DTMKZTHFRUHJSK-CSLYMUCUSA-N 1 3 319.449 0.794 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532612 757895058 /nfs/dbraw/zinc/89/50/58/757895058.db2.gz GHNNZQYGMASKGM-YLADIXGZSA-N 1 3 319.449 0.791 20 0 DCADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532612 757895065 /nfs/dbraw/zinc/89/50/65/757895065.db2.gz GHNNZQYGMASKGM-YLADIXGZSA-N 1 3 319.449 0.791 20 0 DCADHO CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)c1ccn2cncc2c1 ZINC001085699366 759211648 /nfs/dbraw/zinc/21/16/48/759211648.db2.gz MDNPYZJWKYPUNO-CQSZACIVSA-N 1 3 302.378 0.863 20 0 DCADHO CN(C[C@H]1CC[N@H+]1CCCO)C(=O)c1ccn2cncc2c1 ZINC001085699366 759211649 /nfs/dbraw/zinc/21/16/49/759211649.db2.gz MDNPYZJWKYPUNO-CQSZACIVSA-N 1 3 302.378 0.863 20 0 DCADHO C[NH+](C)CCOCC(=O)NCCNCc1ccc(Cl)nc1 ZINC001147842331 767858942 /nfs/dbraw/zinc/85/89/42/767858942.db2.gz SENWRDDCNAHOBE-UHFFFAOYSA-N 1 3 314.817 0.519 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900564 767879279 /nfs/dbraw/zinc/87/92/79/767879279.db2.gz QDRJYMVAGVPVIT-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900564 767879286 /nfs/dbraw/zinc/87/92/86/767879286.db2.gz QDRJYMVAGVPVIT-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000469 767895247 /nfs/dbraw/zinc/89/52/47/767895247.db2.gz QHHAXSJADGQLOX-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO NCc1cnnn1-c1ccccc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001169312437 760631045 /nfs/dbraw/zinc/63/10/45/760631045.db2.gz YVLRMQDUYPFPCC-HAQNSBGRSA-N 1 3 314.393 0.726 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148364838 767973262 /nfs/dbraw/zinc/97/32/62/767973262.db2.gz DLYUJTFZXQZXNB-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001129340653 760788347 /nfs/dbraw/zinc/78/83/47/760788347.db2.gz OOUUVFKEXWGTDB-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001129340653 760788350 /nfs/dbraw/zinc/78/83/50/760788350.db2.gz OOUUVFKEXWGTDB-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC(C)(C)C ZINC001129363037 761045044 /nfs/dbraw/zinc/04/50/44/761045044.db2.gz DOMDQFKEGWVGMM-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129363477 761047673 /nfs/dbraw/zinc/04/76/73/761047673.db2.gz GZQHWGNCRZDEPH-UHFFFAOYSA-N 1 3 319.471 0.001 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC1CCCC1 ZINC001129363494 761048343 /nfs/dbraw/zinc/04/83/43/761048343.db2.gz HVHNCXSLMKZAKF-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001070191690 761130236 /nfs/dbraw/zinc/13/02/36/761130236.db2.gz MSHOHDJGSVNKHQ-KFWWJZLASA-N 1 3 320.441 0.512 20 0 DCADHO CCCC[C@H](NCCNC(=O)CC[N@H+](C)CCC)C(N)=O ZINC001148578145 768019242 /nfs/dbraw/zinc/01/92/42/768019242.db2.gz OTNHCILZYQMSML-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO CCCC[C@H](NCCNC(=O)CC[N@@H+](C)CCC)C(N)=O ZINC001148578145 768019246 /nfs/dbraw/zinc/01/92/46/768019246.db2.gz OTNHCILZYQMSML-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001148642911 768022907 /nfs/dbraw/zinc/02/29/07/768022907.db2.gz QFTFGWUCUAZKQB-CQSZACIVSA-N 1 3 321.421 0.874 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001148655068 768024357 /nfs/dbraw/zinc/02/43/57/768024357.db2.gz HHYKHPCQVQGPSA-CQSZACIVSA-N 1 3 303.447 0.068 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001148638916 768027463 /nfs/dbraw/zinc/02/74/63/768027463.db2.gz UHBKNRNKJHNIBD-INIZCTEOSA-N 1 3 307.438 0.638 20 0 DCADHO C[C@@H]1CCN(C(=O)c2cnccc2N2CCN(C)CC2)C[C@@H]1[NH3+] ZINC001157816015 762865320 /nfs/dbraw/zinc/86/53/20/762865320.db2.gz YCJVSQNACCVENQ-HIFRSBDPSA-N 1 3 317.437 0.643 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001129410674 762930885 /nfs/dbraw/zinc/93/08/85/762930885.db2.gz QSHZLJYIXQIBNU-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001129410674 762930891 /nfs/dbraw/zinc/93/08/91/762930891.db2.gz QSHZLJYIXQIBNU-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001129409999 762931423 /nfs/dbraw/zinc/93/14/23/762931423.db2.gz AJWMADJPYAIRCQ-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001129409999 762931426 /nfs/dbraw/zinc/93/14/26/762931426.db2.gz AJWMADJPYAIRCQ-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC001129454260 762939943 /nfs/dbraw/zinc/93/99/43/762939943.db2.gz ISQXXEQGFSRWMO-JKSUJKDBSA-N 1 3 323.412 0.905 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435650 762942024 /nfs/dbraw/zinc/94/20/24/762942024.db2.gz IGUMOZBOWXEETR-CZUORRHYSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)N1CCCCCC1)C1CC1 ZINC001129436356 762942368 /nfs/dbraw/zinc/94/23/68/762942368.db2.gz OVVFBJGJJBBSJU-INIZCTEOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1CC1 ZINC001129442443 762944654 /nfs/dbraw/zinc/94/46/54/762944654.db2.gz AEXHHAWRPAZJTD-MNOVXSKESA-N 1 3 311.348 0.346 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001129841841 763022010 /nfs/dbraw/zinc/02/20/10/763022010.db2.gz PUZOMHBGMCRXIA-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129841841 763022016 /nfs/dbraw/zinc/02/20/16/763022016.db2.gz PUZOMHBGMCRXIA-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129842064 763022620 /nfs/dbraw/zinc/02/26/20/763022620.db2.gz SHFGSAROZPNMQQ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842064 763022623 /nfs/dbraw/zinc/02/26/23/763022623.db2.gz SHFGSAROZPNMQQ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001129845579 763023692 /nfs/dbraw/zinc/02/36/92/763023692.db2.gz ILXRJSWXKJOCSS-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001129845579 763023695 /nfs/dbraw/zinc/02/36/95/763023695.db2.gz ILXRJSWXKJOCSS-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947367 763065230 /nfs/dbraw/zinc/06/52/30/763065230.db2.gz WYDLBPHPUHGXGV-ZFWWWQNUSA-N 1 3 314.474 0.439 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001086984647 768110295 /nfs/dbraw/zinc/11/02/95/768110295.db2.gz WCIKHVYNIAKENE-RRFJBIMHSA-N 1 3 307.442 0.664 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130200860 763185021 /nfs/dbraw/zinc/18/50/21/763185021.db2.gz OWKIKRZGBFIVES-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O)N1CCCC1 ZINC001090488866 763417508 /nfs/dbraw/zinc/41/75/08/763417508.db2.gz GSXAORWMWZHUJR-UONOGXRCSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O)N1CCCC1 ZINC001090488866 763417514 /nfs/dbraw/zinc/41/75/14/763417514.db2.gz GSXAORWMWZHUJR-UONOGXRCSA-N 1 3 315.433 0.772 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCn3cccn3)C2)CCC1 ZINC001100405733 763554736 /nfs/dbraw/zinc/55/47/36/763554736.db2.gz KTOFEZLZBPGKIJ-UHFFFAOYSA-N 1 3 319.453 0.852 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001100423284 763569175 /nfs/dbraw/zinc/56/91/75/763569175.db2.gz AUBOUKQRRDUORX-XUJLQICISA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC)C1 ZINC001131115183 763658001 /nfs/dbraw/zinc/65/80/01/763658001.db2.gz BZQPNTGTYSQXCO-ZIAGYGMSSA-N 1 3 307.442 0.666 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100920805 763857033 /nfs/dbraw/zinc/85/70/33/763857033.db2.gz BMLKSFDOEWTQFZ-UHFFFAOYSA-N 1 3 317.397 0.037 20 0 DCADHO C[C@H](Nc1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1)[C@@H]1CNCCO1 ZINC001170576492 763927118 /nfs/dbraw/zinc/92/71/18/763927118.db2.gz VQLJYUQZKOXTPW-SCRDCRAPSA-N 1 3 316.409 0.595 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CCO)C2)C1 ZINC001131692964 763953513 /nfs/dbraw/zinc/95/35/13/763953513.db2.gz LZSKIWNVLQWKSK-GDBMZVCRSA-N 1 3 313.442 0.012 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CCO)C2)C1 ZINC001131692964 763953520 /nfs/dbraw/zinc/95/35/20/763953520.db2.gz LZSKIWNVLQWKSK-GDBMZVCRSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015030 768183393 /nfs/dbraw/zinc/18/33/93/768183393.db2.gz IOHWHYWPYPWFQX-RKVPGOIHSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015030 768183396 /nfs/dbraw/zinc/18/33/96/768183396.db2.gz IOHWHYWPYPWFQX-RKVPGOIHSA-N 1 3 323.481 0.879 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)cn1 ZINC001131786534 764033232 /nfs/dbraw/zinc/03/32/32/764033232.db2.gz WBUPYNCCGKDXPF-HNNXBMFYSA-N 1 3 305.426 0.500 20 0 DCADHO CC[C@@H](NCCNC(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001131798883 764035959 /nfs/dbraw/zinc/03/59/59/764035959.db2.gz BQCLOHYMLIDJEX-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131819018 764054036 /nfs/dbraw/zinc/05/40/36/764054036.db2.gz IVWYKSNSNHLTNV-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131819018 764054046 /nfs/dbraw/zinc/05/40/46/764054046.db2.gz IVWYKSNSNHLTNV-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CC2([NH+](C)C)CCCC2)C1=O ZINC001131841134 764058437 /nfs/dbraw/zinc/05/84/37/764058437.db2.gz ZQACFVDIDDESDS-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCc1ccnn1C ZINC001132279475 764361449 /nfs/dbraw/zinc/36/14/49/764361449.db2.gz XLQWYHBJSSJAQN-CABCVRRESA-N 1 3 321.469 0.883 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001132738424 764616182 /nfs/dbraw/zinc/61/61/82/764616182.db2.gz CMRANSAKLKGMAV-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001132738424 764616190 /nfs/dbraw/zinc/61/61/90/764616190.db2.gz CMRANSAKLKGMAV-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001132738591 764616407 /nfs/dbraw/zinc/61/64/07/764616407.db2.gz ILAJLGVHALQFGT-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001132738591 764616414 /nfs/dbraw/zinc/61/64/14/764616414.db2.gz ILAJLGVHALQFGT-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C)N(C)C ZINC001102377046 764619638 /nfs/dbraw/zinc/61/96/38/764619638.db2.gz LDVBYTSSAGIIBE-BMFZPTHFSA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C)N(C)C ZINC001102377046 764619645 /nfs/dbraw/zinc/61/96/45/764619645.db2.gz LDVBYTSSAGIIBE-BMFZPTHFSA-N 1 3 321.469 0.944 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102475654 764658342 /nfs/dbraw/zinc/65/83/42/764658342.db2.gz YIWUEEIADUHONZ-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1C ZINC001102475654 764658346 /nfs/dbraw/zinc/65/83/46/764658346.db2.gz YIWUEEIADUHONZ-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998782 764772227 /nfs/dbraw/zinc/77/22/27/764772227.db2.gz YXWRJELBZRRMKW-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040189 764798108 /nfs/dbraw/zinc/79/81/08/764798108.db2.gz FLICBOIYJVBUBP-UHFFFAOYSA-N 1 3 314.474 0.683 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133048502 764808326 /nfs/dbraw/zinc/80/83/26/764808326.db2.gz ZRSYBSLEJWNADV-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CCCC1 ZINC001133285902 764905565 /nfs/dbraw/zinc/90/55/65/764905565.db2.gz NPXMZORNHRWUSR-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCCC[C@H]1NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290979 764908797 /nfs/dbraw/zinc/90/87/97/764908797.db2.gz GRIIQROYIYXJDP-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1ccc(CNC(=O)CNCCNC(=O)CC[NH+](C)C)cc1 ZINC001133291738 764910015 /nfs/dbraw/zinc/91/00/15/764910015.db2.gz YBFHDZYQPRVRLH-UHFFFAOYSA-N 1 3 320.437 0.269 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294544 764911901 /nfs/dbraw/zinc/91/19/01/764911901.db2.gz MTYQTZOBRGWZBN-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)NC1CCCC1)[NH+](C)C ZINC001133415715 764957254 /nfs/dbraw/zinc/95/72/54/764957254.db2.gz LIVVAJYZQQZROU-OAHLLOKOSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001133419541 764958007 /nfs/dbraw/zinc/95/80/07/764958007.db2.gz RLVMLIKWXNFPTA-GHMZBOCLSA-N 1 3 313.364 0.592 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001133823634 765154032 /nfs/dbraw/zinc/15/40/32/765154032.db2.gz KUYJTWKCPAWXRH-HNNXBMFYSA-N 1 3 322.457 0.639 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856554 765182387 /nfs/dbraw/zinc/18/23/87/765182387.db2.gz ITSHTJPEQBOHEX-NHYWBVRUSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856554 765182390 /nfs/dbraw/zinc/18/23/90/765182390.db2.gz ITSHTJPEQBOHEX-NHYWBVRUSA-N 1 3 316.421 0.039 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001133856822 765183274 /nfs/dbraw/zinc/18/32/74/765183274.db2.gz RZMYMKUZASBTQQ-BBRMVZONSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001133968023 765260619 /nfs/dbraw/zinc/26/06/19/765260619.db2.gz KQBYIEGXAGUXGY-RYUDHWBXSA-N 1 3 300.447 0.336 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1)C1CC1 ZINC001112399456 765524838 /nfs/dbraw/zinc/52/48/38/765524838.db2.gz USCDEETYINDOBC-UXLLHSPISA-N 1 3 309.454 0.537 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001134584348 765580892 /nfs/dbraw/zinc/58/08/92/765580892.db2.gz SLFQXBXWRRMHDC-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN(C)C1CCC1 ZINC001134607285 765599861 /nfs/dbraw/zinc/59/98/61/765599861.db2.gz GKKGURXYKSMGRS-CHWSQXEVSA-N 1 3 322.457 0.672 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001134766771 765662425 /nfs/dbraw/zinc/66/24/25/765662425.db2.gz LVPCRRSYFWPZCN-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170772792 765678292 /nfs/dbraw/zinc/67/82/92/765678292.db2.gz DQBNRVLUJDSIRF-GXFFZTMASA-N 1 3 321.425 0.517 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NCc1ccco1 ZINC001124866769 768318098 /nfs/dbraw/zinc/31/80/98/768318098.db2.gz KNFKWQKEYSKEEV-TZMCWYRMSA-N 1 3 322.409 0.084 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093906 765800693 /nfs/dbraw/zinc/80/06/93/765800693.db2.gz VIUPHFDAXQGYIF-DZGCQCFKSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093906 765800697 /nfs/dbraw/zinc/80/06/97/765800697.db2.gz VIUPHFDAXQGYIF-DZGCQCFKSA-N 1 3 305.426 0.643 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NCCNCC(=O)NC2CC2)cc1 ZINC001135340432 765888596 /nfs/dbraw/zinc/88/85/96/765888596.db2.gz AJYLNKKCJVMIEJ-UHFFFAOYSA-N 1 3 318.421 0.346 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)C(C)C ZINC001135473937 765943553 /nfs/dbraw/zinc/94/35/53/765943553.db2.gz AVWRIFQFSYVMQU-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474048 765943763 /nfs/dbraw/zinc/94/37/63/765943763.db2.gz FSXWKWBXHKLLNG-HNNXBMFYSA-N 1 3 314.474 0.585 20 0 DCADHO COc1ccc(-n2cc(N[C@H](N)CCC[NH3+])ncc2=O)cc1 ZINC001170907141 766253467 /nfs/dbraw/zinc/25/34/67/766253467.db2.gz ZXOMIVFRTYHZAL-ZDUSSCGKSA-N 1 3 303.366 0.677 20 0 DCADHO CC(C)C[NH2+]CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001118218620 766258385 /nfs/dbraw/zinc/25/83/85/766258385.db2.gz JCDGWMIMOKQQPY-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC001119354153 766643111 /nfs/dbraw/zinc/64/31/11/766643111.db2.gz BFSRDJMIMLJUPC-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1csc(CNCCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205040 767004270 /nfs/dbraw/zinc/00/42/70/767004270.db2.gz KKBZPCJEQTVEEC-UHFFFAOYSA-N 1 3 314.455 0.626 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120440269 767015955 /nfs/dbraw/zinc/01/59/55/767015955.db2.gz MDTUNZUOBREUBO-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120440269 767015965 /nfs/dbraw/zinc/01/59/65/767015965.db2.gz MDTUNZUOBREUBO-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)O)C2)N(C)C ZINC001121267028 767488829 /nfs/dbraw/zinc/48/88/29/767488829.db2.gz AELQFWNVCAYCSB-BJOWLINFSA-N 1 3 311.470 0.970 20 0 DCADHO O=C(NCCCNCc1cc2n(n1)CCC2)C12CC[NH+](CC1)C2 ZINC001171293347 767622497 /nfs/dbraw/zinc/62/24/97/767622497.db2.gz ICPUYAYAXIEGTO-UHFFFAOYSA-N 1 3 317.437 0.521 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)C[C@H](O)C[NH3+])c(C)c2)CC1 ZINC001122005801 767694819 /nfs/dbraw/zinc/69/48/19/767694819.db2.gz UTVWFLCYAIWAFO-HNNXBMFYSA-N 1 3 320.437 0.785 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303651 767742434 /nfs/dbraw/zinc/74/24/34/767742434.db2.gz VCYDIMKJCGCEKP-UHFFFAOYSA-N 1 3 305.426 0.595 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203026757 768526648 /nfs/dbraw/zinc/52/66/48/768526648.db2.gz AUHXMOFSXSHUJC-QWHCGFSZSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)C(=O)CN1CCC2(CCCN2C(=O)C2C[NH+](C)C2)CC1 ZINC001142594503 768652416 /nfs/dbraw/zinc/65/24/16/768652416.db2.gz OJVMHIIYFXUCIR-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847405 768880513 /nfs/dbraw/zinc/88/05/13/768880513.db2.gz FSEOPPVAHGBLIB-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847405 768880526 /nfs/dbraw/zinc/88/05/26/768880526.db2.gz FSEOPPVAHGBLIB-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)COCC(C)C ZINC001171770335 769373236 /nfs/dbraw/zinc/37/32/36/769373236.db2.gz NGGXFVFHHUUVTH-OAHLLOKOSA-N 1 3 317.474 0.458 20 0 DCADHO CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)C(=O)NCC(N)=O ZINC001172108936 769436408 /nfs/dbraw/zinc/43/64/08/769436408.db2.gz FVEJTZZWDPWDGN-XGUBFFRZSA-N 1 3 324.469 0.608 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001152237813 769515189 /nfs/dbraw/zinc/51/51/89/769515189.db2.gz WTXLNHSWEVNBDQ-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340509 769530761 /nfs/dbraw/zinc/53/07/61/769530761.db2.gz PTRCEGRIBVAXHT-UHFFFAOYSA-N 1 3 312.458 0.485 20 0 DCADHO CN(C(=O)CNCCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001152340298 769531110 /nfs/dbraw/zinc/53/11/10/769531110.db2.gz KRNPQXPJSZJQSY-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340506 769531426 /nfs/dbraw/zinc/53/14/26/769531426.db2.gz PSMXQXKLLMRFHU-UHFFFAOYSA-N 1 3 307.442 0.810 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340076 769531615 /nfs/dbraw/zinc/53/16/15/769531615.db2.gz FWBPLTQWLBMPBY-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001152457107 769564685 /nfs/dbraw/zinc/56/46/85/769564685.db2.gz BTBJJGYYOQKKIE-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001152479122 769573165 /nfs/dbraw/zinc/57/31/65/769573165.db2.gz CGELXKZTQAUEJF-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC[N@@H+]1CC[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001173364734 769609491 /nfs/dbraw/zinc/60/94/91/769609491.db2.gz SYPRNFWGLZXTOH-CYBMUJFWSA-N 1 3 315.421 0.808 20 0 DCADHO CC[N@H+]1CC[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001173364734 769609494 /nfs/dbraw/zinc/60/94/94/769609494.db2.gz SYPRNFWGLZXTOH-CYBMUJFWSA-N 1 3 315.421 0.808 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH2+]CC(C)(C)CN(C)C)C[C@@H]1C(=O)OC ZINC001173568296 769662859 /nfs/dbraw/zinc/66/28/59/769662859.db2.gz SOUDGNLCZNOHEL-CLLJXQQHSA-N 1 3 314.426 0.905 20 0 DCADHO COC(=O)c1ccc(C[C@@H](C)NC[C@H](C[NH3+])C(=O)OC)cc1 ZINC001173711856 769702296 /nfs/dbraw/zinc/70/22/96/769702296.db2.gz NOLLITUCUADVEP-RISCZKNCSA-N 1 3 308.378 0.742 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173736689 769705374 /nfs/dbraw/zinc/70/53/74/769705374.db2.gz GKEKHWUZFMFIFS-JKSUJKDBSA-N 1 3 321.473 0.772 20 0 DCADHO [NH3+]CCCCN1C[C@H]2C[C@@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001235644021 769922244 /nfs/dbraw/zinc/92/22/44/769922244.db2.gz LYICRBOKBYMWFH-RBSFLKMASA-N 1 3 307.394 0.724 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+][C@@H]1CCNC1=O ZINC001175769632 769959794 /nfs/dbraw/zinc/95/97/94/769959794.db2.gz SLSUIALZGCNUKY-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1occc1[S-] ZINC001236311902 769994441 /nfs/dbraw/zinc/99/44/41/769994441.db2.gz NJBRNAAYOZHFOX-UHFFFAOYSA-N 1 3 300.428 0.184 20 0 DCADHO COc1nccc(C[NH2+]CCCNC(=O)CN2CCCC2)n1 ZINC001176102545 770035089 /nfs/dbraw/zinc/03/50/89/770035089.db2.gz GTZLZMNBDVWEKH-UHFFFAOYSA-N 1 3 307.398 0.177 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)[N-]c1cnn([C@@H]2CC[NH2+]C2)c1 ZINC001237549171 770051391 /nfs/dbraw/zinc/05/13/91/770051391.db2.gz NCWQYZZUYRKEHD-CYBMUJFWSA-N 1 3 313.427 0.159 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176316957 770081171 /nfs/dbraw/zinc/08/11/71/770081171.db2.gz AUPBWSGBCGOXBH-UHFFFAOYSA-N 1 3 322.457 0.677 20 0 DCADHO COC[C@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753233 770168118 /nfs/dbraw/zinc/16/81/18/770168118.db2.gz DBISTLMBKLTGBS-HUUCEWRRSA-N 1 3 317.474 0.599 20 0 DCADHO CC[C@@H]([NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)C(N)=O ZINC001176760242 770168185 /nfs/dbraw/zinc/16/81/85/770168185.db2.gz RWUXLUIPPOHGHG-ZIAGYGMSSA-N 1 3 314.474 0.855 20 0 DCADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)NCC1CCOCC1 ZINC001239215531 770199175 /nfs/dbraw/zinc/19/91/75/770199175.db2.gz KSDACPMTLWEGFE-CQSZACIVSA-N 1 3 310.442 0.586 20 0 DCADHO CC[NH+](CC)CCCNC(=S)NCCCC[C@H](N)C(N)=O ZINC001239389445 770216440 /nfs/dbraw/zinc/21/64/40/770216440.db2.gz WYMPTICZCOAKFY-LBPRGKRZSA-N 1 3 317.503 0.165 20 0 DCADHO CCNC(=O)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948212 770250258 /nfs/dbraw/zinc/25/02/58/770250258.db2.gz KOCDTWKYPZAUGW-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001176986081 770271504 /nfs/dbraw/zinc/27/15/04/770271504.db2.gz DHWFHFFOSNZNNQ-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986826 770274748 /nfs/dbraw/zinc/27/47/48/770274748.db2.gz WWKQOCUZLCDRFS-AWEZNQCLSA-N 1 3 314.474 0.583 20 0 DCADHO Cn1c2c(cccc2C(=O)N(CCCC[NH3+])C(=N)N)[nH]c1=O ZINC001155646945 770578502 /nfs/dbraw/zinc/57/85/02/770578502.db2.gz IUNNYUJKTXDSAA-UHFFFAOYSA-N 1 3 304.354 0.353 20 0 DCADHO c1nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc2c1CNCC2 ZINC001155824508 770632030 /nfs/dbraw/zinc/63/20/30/770632030.db2.gz SZNUOFMOFINLGG-GOEBONIOSA-N 1 3 303.410 0.835 20 0 DCADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001179234385 770972709 /nfs/dbraw/zinc/97/27/09/770972709.db2.gz MMEWDXSPSJWVHY-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CC(=O)N(C)C ZINC001179850981 771024291 /nfs/dbraw/zinc/02/42/91/771024291.db2.gz PZPVSBCTINSPIJ-UHFFFAOYSA-N 1 3 314.474 0.683 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)[C@@H]1C ZINC001179983331 771043277 /nfs/dbraw/zinc/04/32/77/771043277.db2.gz WKFQSCNVIHXPTP-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCCC(C)(C)C)C1 ZINC001151049461 771318691 /nfs/dbraw/zinc/31/86/91/771318691.db2.gz PQLVKRRNMICCLN-ZDUSSCGKSA-N 1 3 312.458 0.196 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCCC(C)(C)C)C1 ZINC001151049461 771318695 /nfs/dbraw/zinc/31/86/95/771318695.db2.gz PQLVKRRNMICCLN-ZDUSSCGKSA-N 1 3 312.458 0.196 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653440 771326288 /nfs/dbraw/zinc/32/62/88/771326288.db2.gz ZNGXEVGHZXLABB-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CN1CCC(O)(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC001182032628 771390763 /nfs/dbraw/zinc/39/07/63/771390763.db2.gz TZVJYPPNBGAFEV-OAHLLOKOSA-N 1 3 309.454 0.920 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCOCC(F)F)C2)CCC1 ZINC001183229216 771622484 /nfs/dbraw/zinc/62/24/84/771622484.db2.gz GCARTGVDIMZKLD-GFCCVEGCSA-N 1 3 319.396 0.943 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229575 771622508 /nfs/dbraw/zinc/62/25/08/771622508.db2.gz NDXHXJYXMRQLHG-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)C1CC1 ZINC001183266823 771630800 /nfs/dbraw/zinc/63/08/00/771630800.db2.gz FYVRRNQPBLIAMZ-HUUCEWRRSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183648602 771675422 /nfs/dbraw/zinc/67/54/22/771675422.db2.gz VPIIYPRXGRUEGB-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001157891352 771687911 /nfs/dbraw/zinc/68/79/11/771687911.db2.gz XBHDEDNECUKVMT-JOYOIKCWSA-N 1 3 309.307 0.546 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157901296 771689860 /nfs/dbraw/zinc/68/98/60/771689860.db2.gz ZKKQRESNEYKXDR-STQMWFEESA-N 1 3 321.412 0.958 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001183764953 771698673 /nfs/dbraw/zinc/69/86/73/771698673.db2.gz KQAGEYZAJSCJSG-CHWSQXEVSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001183764953 771698674 /nfs/dbraw/zinc/69/86/74/771698674.db2.gz KQAGEYZAJSCJSG-CHWSQXEVSA-N 1 3 312.458 0.384 20 0 DCADHO Cn1cncc1CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361630 771706800 /nfs/dbraw/zinc/70/68/00/771706800.db2.gz LBEAEQDQLKDAND-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO Cc1nc(CCN(C)C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)no1 ZINC001157982958 771706841 /nfs/dbraw/zinc/70/68/41/771706841.db2.gz IHIQPIMLAIWIHA-GFCCVEGCSA-N 1 3 307.398 0.253 20 0 DCADHO Cc1nc(CCN(C)C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)no1 ZINC001157982958 771706846 /nfs/dbraw/zinc/70/68/46/771706846.db2.gz IHIQPIMLAIWIHA-GFCCVEGCSA-N 1 3 307.398 0.253 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CCC[NH+]2CCCCC2)C1=O ZINC001151362494 771707846 /nfs/dbraw/zinc/70/78/46/771707846.db2.gz XLWSVORYWYKWEB-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CN1CCNC[C@H]1C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158031778 771715929 /nfs/dbraw/zinc/71/59/29/771715929.db2.gz OFDSURFJSJPWLA-DOTOQJQBSA-N 1 3 308.470 0.662 20 0 DCADHO Cc1nc(CC[NH3+])nn1-c1nc(Cl)nc2c1CN(C)CC2 ZINC001158132300 771729366 /nfs/dbraw/zinc/72/93/66/771729366.db2.gz JSDRBCCCJIJBRH-UHFFFAOYSA-N 1 3 307.789 0.508 20 0 DCADHO CN[C@@H](CO)C(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158248992 771745927 /nfs/dbraw/zinc/74/59/27/771745927.db2.gz KNFANMLOLIPDMX-VHSXEESVSA-N 1 3 309.332 0.242 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001159155329 771866814 /nfs/dbraw/zinc/86/68/14/771866814.db2.gz MTPHHZOOCSFFDH-CYBMUJFWSA-N 1 3 316.421 0.041 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230115 771882450 /nfs/dbraw/zinc/88/24/50/771882450.db2.gz LTGPVANSAIYBMM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C2)CC1 ZINC001185361450 771905155 /nfs/dbraw/zinc/90/51/55/771905155.db2.gz YPFOROMVRMEXJY-GJZGRUSLSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N1CCCCC1 ZINC001185401578 771911952 /nfs/dbraw/zinc/91/19/52/771911952.db2.gz TUBKXMUUJWUIEO-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1)[NH+](C)C ZINC001185446378 771913172 /nfs/dbraw/zinc/91/31/72/771913172.db2.gz KMHHDLYEZQUYLK-CZUORRHYSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](C[NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668141 771941882 /nfs/dbraw/zinc/94/18/82/771941882.db2.gz WLBYDYGBCCVTBZ-BPUTZDHNSA-N 1 3 318.421 0.478 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)C(N)=O ZINC001185716583 771948613 /nfs/dbraw/zinc/94/86/13/771948613.db2.gz ZSGSQPDJRWFUGK-MCIONIFRSA-N 1 3 312.458 0.561 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccn(C)c(=O)c2)CCC1 ZINC001159846192 771967910 /nfs/dbraw/zinc/96/79/10/771967910.db2.gz LMPYDUADHSPXNP-UHFFFAOYSA-N 1 3 320.437 0.466 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCO[C@H]2CC2(F)F)CCC1 ZINC001159853326 771968253 /nfs/dbraw/zinc/96/82/53/771968253.db2.gz CBNDHVBQDQTKTB-LBPRGKRZSA-N 1 3 319.396 0.991 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCN1CCCC1=O)C1CC1 ZINC001159932057 771980034 /nfs/dbraw/zinc/98/00/34/771980034.db2.gz NRQGWYKNJPNVAB-OAHLLOKOSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001159932372 771980109 /nfs/dbraw/zinc/98/01/09/771980109.db2.gz PWBVNFGXALKLCJ-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997066 771986542 /nfs/dbraw/zinc/98/65/42/771986542.db2.gz DSPLNZCPPTYVDQ-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[NH+](C)CCOCc1ncn2c1CN(C(=O)C1(N)CC1)CCC2 ZINC001160372675 772029496 /nfs/dbraw/zinc/02/94/96/772029496.db2.gz RSNKIQYCTGGRCM-UHFFFAOYSA-N 1 3 321.425 0.185 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001160420422 772035022 /nfs/dbraw/zinc/03/50/22/772035022.db2.gz FOENEVLXBHUFNM-AWEZNQCLSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186459553 772047086 /nfs/dbraw/zinc/04/70/86/772047086.db2.gz XLGHYONNFAMWNA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001186458194 772047433 /nfs/dbraw/zinc/04/74/33/772047433.db2.gz INTLMKFOHDYHLH-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[NH2+]CC23CNC3)no1 ZINC001160549699 772063827 /nfs/dbraw/zinc/06/38/27/772063827.db2.gz VNQXHFBDCVMRSS-NEPJUHHUSA-N 1 3 305.382 0.241 20 0 DCADHO Cc1nc([C@@H]2CCCCN2C(=O)[C@@H](N)CSCC[NH3+])no1 ZINC001160549784 772063882 /nfs/dbraw/zinc/06/38/82/772063882.db2.gz YOSRMMQLFUUWOY-QWRGUYRKSA-N 1 3 313.427 0.451 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001186825045 772096648 /nfs/dbraw/zinc/09/66/48/772096648.db2.gz WQHAPESMIRTWTI-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001186825045 772096654 /nfs/dbraw/zinc/09/66/54/772096654.db2.gz WQHAPESMIRTWTI-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001160696378 772098371 /nfs/dbraw/zinc/09/83/71/772098371.db2.gz WBDFQCZYVYHSIC-CHWSQXEVSA-N 1 3 313.442 0.894 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001160772276 772109335 /nfs/dbraw/zinc/10/93/35/772109335.db2.gz QIMHWTCUANOHKV-GXSJLCMTSA-N 1 3 309.382 0.032 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCN(C(C)C)C1=O)N(C)C ZINC001160889729 772133180 /nfs/dbraw/zinc/13/31/80/772133180.db2.gz QPCOTAJTTAXXQD-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO O=C(N1CCC[C@@H]1c1ccccn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160935134 772139043 /nfs/dbraw/zinc/13/90/43/772139043.db2.gz KMHHPDRGTCGOKS-FRFSOERESA-N 1 3 300.406 0.944 20 0 DCADHO N[C@H](C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1)C1Cc2ccccc2C1 ZINC001160972841 772144931 /nfs/dbraw/zinc/14/49/31/772144931.db2.gz SZSPXZZZZZLCFG-KBPBESRZSA-N 1 3 309.360 0.924 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187240239 772151656 /nfs/dbraw/zinc/15/16/56/772151656.db2.gz IWVOQZIRSRYYRC-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CC(=O)N(C(C)C)C1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001161049892 772158378 /nfs/dbraw/zinc/15/83/78/772158378.db2.gz IUJRTMIIJUQDLQ-INIZCTEOSA-N 1 3 324.469 0.561 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001187321597 772164395 /nfs/dbraw/zinc/16/43/95/772164395.db2.gz GAGVKFXFWNKKRP-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001187321586 772164458 /nfs/dbraw/zinc/16/44/58/772164458.db2.gz FNNSAWJEBONWEU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001187298355 772170498 /nfs/dbraw/zinc/17/04/98/772170498.db2.gz DOTGFVHBJJTKSW-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001187298355 772170501 /nfs/dbraw/zinc/17/05/01/772170501.db2.gz DOTGFVHBJJTKSW-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CN(C(=O)c2cccc(N3CC[NH2+]CC3)c2)C[C@H](C)N1 ZINC001161231577 772186997 /nfs/dbraw/zinc/18/69/97/772186997.db2.gz JSJUYLQYBVVDCF-KBPBESRZSA-N 1 3 302.422 0.919 20 0 DCADHO C[C@H]1CN(C(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H](C)N1 ZINC001161231738 772187049 /nfs/dbraw/zinc/18/70/49/772187049.db2.gz OHPYUCAFUHROJR-SDADXPQNSA-N 1 3 305.422 0.516 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001161245404 772189993 /nfs/dbraw/zinc/18/99/93/772189993.db2.gz MZLPFUVQOLUONH-UHFFFAOYSA-N 1 3 314.474 0.727 20 0 DCADHO CN[C@H](C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1)c1ccccc1 ZINC001161377230 772213381 /nfs/dbraw/zinc/21/33/81/772213381.db2.gz GGLAMXVLNFJYOR-IRXDYDNUSA-N 1 3 316.449 0.971 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413009 772219288 /nfs/dbraw/zinc/21/92/88/772219288.db2.gz NJNGEJCKXIPGGX-HZMVEIRTSA-N 1 3 317.433 0.987 20 0 DCADHO COc1cncc(N)c1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161448329 772225154 /nfs/dbraw/zinc/22/51/54/772225154.db2.gz BNWIIEKPXWEUNN-LBPRGKRZSA-N 1 3 321.425 0.428 20 0 DCADHO CN1CCN(c2cncc(C(=O)N3CC[NH2+]C4(CC4)C3)c2)CC1 ZINC001161552798 772243661 /nfs/dbraw/zinc/24/36/61/772243661.db2.gz OZCYTRLTXUVLIX-UHFFFAOYSA-N 1 3 315.421 0.411 20 0 DCADHO [NH3+]C1(c2cccnc2)CCN(c2ncc3c(n2)CCNC3)CC1 ZINC001161581318 772248363 /nfs/dbraw/zinc/24/83/63/772248363.db2.gz ORPNUUMEBLMHAJ-UHFFFAOYSA-N 1 3 310.405 0.972 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001188106766 772266983 /nfs/dbraw/zinc/26/69/83/772266983.db2.gz VUWRLEUEBDNMQC-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106700 772267247 /nfs/dbraw/zinc/26/72/47/772267247.db2.gz REPVCZUYSRORBT-OAHLLOKOSA-N 1 3 319.453 0.987 20 0 DCADHO CN1CCN(CCCNc2cnc(O[C@H]3CC[NH2+]C3)nc2)CC1 ZINC001161708889 772269944 /nfs/dbraw/zinc/26/99/44/772269944.db2.gz WIEAVBFLIXVWRB-HNNXBMFYSA-N 1 3 320.441 0.267 20 0 DCADHO Cn1nncc1CNCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789765 772283410 /nfs/dbraw/zinc/28/34/10/772283410.db2.gz YRWZITRSGPWGIR-UHFFFAOYSA-N 1 3 306.414 0.039 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(CNC)ncn1 ZINC001162730597 772412744 /nfs/dbraw/zinc/41/27/44/772412744.db2.gz PEGUJMFRVWAZJS-ZDUSSCGKSA-N 1 3 309.414 0.739 20 0 DCADHO CN1CCN(c2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)cc2)CC1 ZINC001163343316 772510057 /nfs/dbraw/zinc/51/00/57/772510057.db2.gz VCWHHPPSLAETDB-IKGGRYGDSA-N 1 3 302.422 0.980 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN(c2ncc3c(n2)CCNC3)CC1 ZINC001163527903 772535575 /nfs/dbraw/zinc/53/55/75/772535575.db2.gz PHXBBZVHBITAAF-UHFFFAOYSA-N 1 3 319.409 0.373 20 0 DCADHO c1nn(-c2ccc(OC3CC[NH2+]CC3)nn2)c2c1CNCC2 ZINC001165219676 772707337 /nfs/dbraw/zinc/70/73/37/772707337.db2.gz CTMSTRQNWODAGU-UHFFFAOYSA-N 1 3 300.366 0.439 20 0 DCADHO COc1nccc(CNCCCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001165252908 772711287 /nfs/dbraw/zinc/71/12/87/772711287.db2.gz BYSCTDJNAGAJGL-UHFFFAOYSA-N 1 3 321.425 0.423 20 0 DCADHO C[NH+]1CCC(C(=O)NCCCNCC(=O)Nc2ccon2)CC1 ZINC001165777822 772762539 /nfs/dbraw/zinc/76/25/39/772762539.db2.gz YYDYPWADYDEKPM-UHFFFAOYSA-N 1 3 323.397 0.051 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004514 772778025 /nfs/dbraw/zinc/77/80/25/772778025.db2.gz PRKMWSYHNPQVRF-OAHLLOKOSA-N 1 3 309.458 0.911 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001166626890 772830028 /nfs/dbraw/zinc/83/00/28/772830028.db2.gz LOACGIQUVWDASL-UONOGXRCSA-N 1 3 320.441 0.346 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCN2CCCC2=O)C1 ZINC001166676800 772838452 /nfs/dbraw/zinc/83/84/52/772838452.db2.gz CSDXHYDDUJRWGP-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001166858366 772871485 /nfs/dbraw/zinc/87/14/85/772871485.db2.gz RMEYLAHTAUAIER-AWEZNQCLSA-N 1 3 308.426 0.321 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001166858079 772871591 /nfs/dbraw/zinc/87/15/91/772871591.db2.gz MNJYVFKYTBGSLA-QWRGUYRKSA-N 1 3 313.364 0.736 20 0 DCADHO COCCOCCN(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192163375 772877309 /nfs/dbraw/zinc/87/73/09/772877309.db2.gz WDHLXGKIKIUGHU-CQSZACIVSA-N 1 3 301.431 0.134 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001192162283 772877744 /nfs/dbraw/zinc/87/77/44/772877744.db2.gz NVBNDPIESGOHKE-HNNXBMFYSA-N 1 3 322.457 0.379 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793622 772924736 /nfs/dbraw/zinc/92/47/36/772924736.db2.gz SHHSJUWWIYEIMP-OLZOCXBDSA-N 1 3 310.442 0.090 20 0 DCADHO [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001205219253 772983860 /nfs/dbraw/zinc/98/38/60/772983860.db2.gz BIGJFBQGYVUOMW-HNNXBMFYSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001205219253 772983864 /nfs/dbraw/zinc/98/38/64/772983864.db2.gz BIGJFBQGYVUOMW-HNNXBMFYSA-N 1 3 302.382 0.542 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001206274242 773060601 /nfs/dbraw/zinc/06/06/01/773060601.db2.gz FWIVODQHNFSXFE-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001206410193 773074194 /nfs/dbraw/zinc/07/41/94/773074194.db2.gz JQGLRHKDJLWHAY-CYBMUJFWSA-N 1 3 307.398 0.044 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206404327 773074459 /nfs/dbraw/zinc/07/44/59/773074459.db2.gz YPHKWVYCCJXBMR-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO [NH3+]C1(Cc2nc(-c3ccc4c(n3)CCNC4)no2)CCOCC1 ZINC001206618445 773094406 /nfs/dbraw/zinc/09/44/06/773094406.db2.gz DHARARHRVFLEHG-UHFFFAOYSA-N 1 3 315.377 0.828 20 0 DCADHO CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001193791170 773110284 /nfs/dbraw/zinc/11/02/84/773110284.db2.gz FADDEJXUBFXQIH-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001193791170 773110286 /nfs/dbraw/zinc/11/02/86/773110286.db2.gz FADDEJXUBFXQIH-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928869 773137613 /nfs/dbraw/zinc/13/76/13/773137613.db2.gz LUGRHKXJMXLHEB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001208070070 773392847 /nfs/dbraw/zinc/39/28/47/773392847.db2.gz CJPDZNNYRLGYCD-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001208070070 773392854 /nfs/dbraw/zinc/39/28/54/773392854.db2.gz CJPDZNNYRLGYCD-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331259 773436103 /nfs/dbraw/zinc/43/61/03/773436103.db2.gz OUKPZBWZTVZJSY-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331259 773436105 /nfs/dbraw/zinc/43/61/05/773436105.db2.gz OUKPZBWZTVZJSY-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208358417 773442378 /nfs/dbraw/zinc/44/23/78/773442378.db2.gz KHOUTWXZMUYZDE-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208358417 773442381 /nfs/dbraw/zinc/44/23/81/773442381.db2.gz KHOUTWXZMUYZDE-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)N(C)C ZINC001195981233 773511005 /nfs/dbraw/zinc/51/10/05/773511005.db2.gz QBMPILCLGLGVFJ-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)N(C)C ZINC001195981233 773511008 /nfs/dbraw/zinc/51/10/08/773511008.db2.gz QBMPILCLGLGVFJ-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CN(C(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001209313149 773590202 /nfs/dbraw/zinc/59/02/02/773590202.db2.gz COCIKWQGIVHPJN-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407838 773601758 /nfs/dbraw/zinc/60/17/58/773601758.db2.gz GCHSUVJOMJVSQL-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631212 773627619 /nfs/dbraw/zinc/62/76/19/773627619.db2.gz DEDPIVMKYMNJEO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001209668536 773632682 /nfs/dbraw/zinc/63/26/82/773632682.db2.gz DVGIDXUPKZGNRL-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)C)C2)CC1 ZINC001210283864 773695283 /nfs/dbraw/zinc/69/52/83/773695283.db2.gz SCMYVKLPZUHJEK-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001210493407 773713581 /nfs/dbraw/zinc/71/35/81/773713581.db2.gz KXJRBTSJDGHUTP-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001210493407 773713586 /nfs/dbraw/zinc/71/35/86/773713586.db2.gz KXJRBTSJDGHUTP-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210492995 773714242 /nfs/dbraw/zinc/71/42/42/773714242.db2.gz GXJHHTHNWRVDGL-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492995 773714244 /nfs/dbraw/zinc/71/42/44/773714244.db2.gz GXJHHTHNWRVDGL-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001211229300 773783171 /nfs/dbraw/zinc/78/31/71/773783171.db2.gz SLVNAMAIWJCFGD-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CCOCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346622 773836852 /nfs/dbraw/zinc/83/68/52/773836852.db2.gz VPXIJONMMZIKCS-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](CN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1)OC ZINC001213678375 773874448 /nfs/dbraw/zinc/87/44/48/773874448.db2.gz RVYGGLPFXRQVTN-RBSFLKMASA-N 1 3 315.458 0.569 20 0 DCADHO CC[C@H](CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1)OC ZINC001213678375 773874453 /nfs/dbraw/zinc/87/44/53/773874453.db2.gz RVYGGLPFXRQVTN-RBSFLKMASA-N 1 3 315.458 0.569 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001214344233 773961790 /nfs/dbraw/zinc/96/17/90/773961790.db2.gz PLHCXHBIZUHLCU-BPLDGKMQSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)NC1CC1 ZINC001215453440 774073670 /nfs/dbraw/zinc/07/36/70/774073670.db2.gz BDHPLWJRJSCERR-IUODEOHRSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456469 774073896 /nfs/dbraw/zinc/07/38/96/774073896.db2.gz WILSRZGRDZUGFK-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215543943 774081526 /nfs/dbraw/zinc/08/15/26/774081526.db2.gz FHEKPOICPCRNGK-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001216225689 774109630 /nfs/dbraw/zinc/10/96/30/774109630.db2.gz JLMKROCGZRNISL-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001216225689 774109632 /nfs/dbraw/zinc/10/96/32/774109632.db2.gz JLMKROCGZRNISL-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383195 774115094 /nfs/dbraw/zinc/11/50/94/774115094.db2.gz ITUSYYKQKYIECH-QLFBSQMISA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383195 774115099 /nfs/dbraw/zinc/11/50/99/774115099.db2.gz ITUSYYKQKYIECH-QLFBSQMISA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001216490923 774119018 /nfs/dbraw/zinc/11/90/18/774119018.db2.gz WEFZYYHSWLGLNW-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001216490923 774119024 /nfs/dbraw/zinc/11/90/24/774119024.db2.gz WEFZYYHSWLGLNW-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788448 774199107 /nfs/dbraw/zinc/19/91/07/774199107.db2.gz QNINEMFDGMKHAN-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](N)CCCO[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001217798749 774199453 /nfs/dbraw/zinc/19/94/53/774199453.db2.gz HKEWKKHVXTZFLL-IHRRRGAJSA-N 1 3 313.442 0.498 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](N)CCCO[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001217798749 774199457 /nfs/dbraw/zinc/19/94/57/774199457.db2.gz HKEWKKHVXTZFLL-IHRRRGAJSA-N 1 3 313.442 0.498 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](N)CCCO[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001217798749 774199460 /nfs/dbraw/zinc/19/94/60/774199460.db2.gz HKEWKKHVXTZFLL-IHRRRGAJSA-N 1 3 313.442 0.498 20 0 DCADHO c1cc(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)cc(N2CC[NH2+]CC2)c1 ZINC001218127714 774213087 /nfs/dbraw/zinc/21/30/87/774213087.db2.gz AXDIXDMUVSWURE-GVDBMIGSSA-N 1 3 303.406 0.994 20 0 DCADHO [NH3+]C1CCN(Cc2ccccc2OC[C@H]2CNCCO2)CC1 ZINC001218176470 774214712 /nfs/dbraw/zinc/21/47/12/774214712.db2.gz ILEPEPAXMYVJHL-MRXNPFEDSA-N 1 3 305.422 0.977 20 0 DCADHO COc1ccc2[nH]c(NC(=O)[C@@H](N)C3CC[NH2+]CC3)nc2c1 ZINC001218520625 774235240 /nfs/dbraw/zinc/23/52/40/774235240.db2.gz FUJBKICGTYNRQU-ZDUSSCGKSA-N 1 3 303.366 0.837 20 0 DCADHO O=C(Nc1cc(C(F)(F)F)no1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218558873 774247104 /nfs/dbraw/zinc/24/71/04/774247104.db2.gz CSMMIVPGHNRHTQ-RDDDGLTNSA-N 1 3 304.272 0.831 20 0 DCADHO O=C(Nc1ccnn1Cc1cccnc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218563945 774247923 /nfs/dbraw/zinc/24/79/23/774247923.db2.gz GNXAQNOPDOCELO-CYBMUJFWSA-N 1 3 312.377 0.074 20 0 DCADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1cnccc1N(C)C ZINC001218564475 774248763 /nfs/dbraw/zinc/24/87/63/774248763.db2.gz ZPKJGGIVQBWSAA-LBPRGKRZSA-N 1 3 307.398 0.720 20 0 DCADHO COC(=O)c1ccnc(Cl)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218592637 774258383 /nfs/dbraw/zinc/25/83/83/774258383.db2.gz IQELDDAQWGEIMN-QMMMGPOBSA-N 1 3 300.746 0.526 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(OCc2cccnc2)n[nH]1 ZINC001218612429 774263274 /nfs/dbraw/zinc/26/32/74/774263274.db2.gz VSLDSHDBORLOFR-NSHDSACASA-N 1 3 304.354 0.388 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)Nc2cnn(C3C[NH2+]C3)c2)cn1 ZINC001218640538 774270400 /nfs/dbraw/zinc/27/04/00/774270400.db2.gz JITGVZDIHAMFTE-ZDUSSCGKSA-N 1 3 316.365 0.460 20 0 DCADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218711646 774285723 /nfs/dbraw/zinc/28/57/23/774285723.db2.gz LUYXCMLRZWFONW-HOSYDEDBSA-N 1 3 308.338 0.189 20 0 DCADHO CC(=O)N1CCC(n2nccc2NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001218735006 774291234 /nfs/dbraw/zinc/29/12/34/774291234.db2.gz QEXBZFVIKBOFDB-CYBMUJFWSA-N 1 3 322.413 0.071 20 0 DCADHO O=C(Nc1nc(Cl)cc2nc[nH]c21)[C@H]1C[NH2+]CC12CNC2 ZINC001218745660 774295111 /nfs/dbraw/zinc/29/51/11/774295111.db2.gz NDRSVRUUWUTYBC-SSDOTTSWSA-N 1 3 306.757 0.359 20 0 DCADHO N[C@@H](C(=O)Nc1nc2n[nH]cc2c(Cl)n1)C1CC[NH2+]CC1 ZINC001218799593 774304890 /nfs/dbraw/zinc/30/48/90/774304890.db2.gz WEJSQYLUYOYICT-MRVPVSSYSA-N 1 3 309.761 0.272 20 0 DCADHO Cc1ccc2c(c1NC(=O)[C@@H](N)C1CC[NH2+]CC1)CNC2=O ZINC001218819603 774310897 /nfs/dbraw/zinc/31/08/97/774310897.db2.gz MGLSDWZBFJVLGO-ZDUSSCGKSA-N 1 3 302.378 0.504 20 0 DCADHO COC(=O)c1cc(OC)ccc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218823494 774311714 /nfs/dbraw/zinc/31/17/14/774311714.db2.gz TXPYOMBYKXJBEW-CQSZACIVSA-N 1 3 321.377 0.747 20 0 DCADHO O=C(Nc1ccc2c(c1)CCNC2=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218934749 774330876 /nfs/dbraw/zinc/33/08/76/774330876.db2.gz KWNYEXHQBXEKQJ-SJKOYZFVSA-N 1 3 314.389 0.110 20 0 DCADHO C[NH+](C)C[C@@H]1CN(C(=S)NCCN2CCCCC2)CCO1 ZINC001200422597 774348840 /nfs/dbraw/zinc/34/88/40/774348840.db2.gz YVKUNGKVYRYBMI-CQSZACIVSA-N 1 3 314.499 0.609 20 0 DCADHO C[NH+](C)CCc1ccc(NC(=O)[C@H]2COC3(CNC3)CN2)cc1 ZINC001219022225 774348901 /nfs/dbraw/zinc/34/89/01/774348901.db2.gz FQACODBRXPJLLE-OAHLLOKOSA-N 1 3 318.421 0.060 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200477963 774360688 /nfs/dbraw/zinc/36/06/88/774360688.db2.gz FQNFLFLFGZXNLS-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001200634936 774381050 /nfs/dbraw/zinc/38/10/50/774381050.db2.gz OEDXLXTVUJQDFU-UONOGXRCSA-N 1 3 321.412 0.843 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCCO[C@@H](CNCCF)C1)[NH+](C)C ZINC001200736632 774403328 /nfs/dbraw/zinc/40/33/28/774403328.db2.gz CTNXRQKLNSMHOG-KBPBESRZSA-N 1 3 303.422 0.749 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052918 774445218 /nfs/dbraw/zinc/44/52/18/774445218.db2.gz IFNSQMBDFDGKSK-MRXNPFEDSA-N 1 3 324.469 0.433 20 0 DCADHO NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001219416861 774483783 /nfs/dbraw/zinc/48/37/83/774483783.db2.gz CMOQJBOWICVWAM-CQSZACIVSA-N 1 3 315.377 0.532 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNC/C=C/Cl)C1 ZINC001201320366 774487283 /nfs/dbraw/zinc/48/72/83/774487283.db2.gz YDTBSPGPXOEKSR-YIALFULDSA-N 1 3 303.834 0.898 20 0 DCADHO CC[C@H](F)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335346 774494135 /nfs/dbraw/zinc/49/41/35/774494135.db2.gz NEFIXBURGIGYJI-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CN1Cc2c(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cccc2NC1=O ZINC001219530020 774524276 /nfs/dbraw/zinc/52/42/76/774524276.db2.gz HKOATZBRCCKKJJ-AWEZNQCLSA-N 1 3 317.393 0.929 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC001219612536 774556822 /nfs/dbraw/zinc/55/68/22/774556822.db2.gz AIGYSGACNBBZSZ-LLVKDONJSA-N 1 3 303.288 0.080 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202165023 774610913 /nfs/dbraw/zinc/61/09/13/774610913.db2.gz OYVVJFKUZXJPLY-AWEZNQCLSA-N 1 3 301.431 0.180 20 0 DCADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1ccc2c(n1)CCNC2 ZINC001219802941 774613608 /nfs/dbraw/zinc/61/36/08/774613608.db2.gz GTSREDLZTZPWAD-ZDUSSCGKSA-N 1 3 316.405 0.226 20 0 DCADHO COCCCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830187 774623030 /nfs/dbraw/zinc/62/30/30/774623030.db2.gz QLNBEZFEZHRUCS-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO COCCCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830187 774623033 /nfs/dbraw/zinc/62/30/33/774623033.db2.gz QLNBEZFEZHRUCS-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219847477 774626106 /nfs/dbraw/zinc/62/61/06/774626106.db2.gz IPGXFCRFEYEEEY-JSRQGNBESA-N 1 3 315.417 0.973 20 0 DCADHO CCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)CC1 ZINC001219954922 774655069 /nfs/dbraw/zinc/65/50/69/774655069.db2.gz YLCOUPKPFZFCKX-WFASDCNBSA-N 1 3 312.458 0.467 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220166667 774716857 /nfs/dbraw/zinc/71/68/57/774716857.db2.gz FEDOBPNOMVGZTH-HLLBOEOZSA-N 1 3 324.469 0.659 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(=O)N(C)C ZINC001202495320 774720960 /nfs/dbraw/zinc/72/09/60/774720960.db2.gz DGZSOFRMLAXOBH-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(=O)N(C)C ZINC001202496512 774728266 /nfs/dbraw/zinc/72/82/66/774728266.db2.gz TXSQALUHDCYFOC-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496532 774728741 /nfs/dbraw/zinc/72/87/41/774728741.db2.gz UURVOGVJPCIBBP-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COCCn1cncc1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220274920 774753366 /nfs/dbraw/zinc/75/33/66/774753366.db2.gz ROVJNRDNHVKUKU-AWEZNQCLSA-N 1 3 321.425 0.020 20 0 DCADHO COCCn1cncc1CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220274920 774753373 /nfs/dbraw/zinc/75/33/73/774753373.db2.gz ROVJNRDNHVKUKU-AWEZNQCLSA-N 1 3 321.425 0.020 20 0 DCADHO NCc1ccc2c(n1)N(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)CCC2 ZINC001220376878 774786322 /nfs/dbraw/zinc/78/63/22/774786322.db2.gz BUHBRAQUKCMOMK-KWCHVYNWSA-N 1 3 318.421 0.698 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001220405542 774797982 /nfs/dbraw/zinc/79/79/82/774797982.db2.gz AOGPXDOZOAEPSW-RDBSUJKOSA-N 1 3 313.442 0.940 20 0 DCADHO CC(C)COCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115241617 774834074 /nfs/dbraw/zinc/83/40/74/774834074.db2.gz LUISKXHAFWZVHR-WCVJEAGWSA-N 1 3 309.454 0.657 20 0 DCADHO CC(C)COCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115241617 774834081 /nfs/dbraw/zinc/83/40/81/774834081.db2.gz LUISKXHAFWZVHR-WCVJEAGWSA-N 1 3 309.454 0.657 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C2CCC3(C[NH2+]C3)CC2)CCNC1 ZINC001220522980 774836185 /nfs/dbraw/zinc/83/61/85/774836185.db2.gz HTRZBMKIKOZUQM-UHFFFAOYSA-N 1 3 321.421 0.693 20 0 DCADHO O=C(NCc1cccc2ccnn21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220553289 774844633 /nfs/dbraw/zinc/84/46/33/774844633.db2.gz JYZMKJMNJOCRLP-HNNXBMFYSA-N 1 3 313.405 0.825 20 0 DCADHO O=C(NCc1cccc2ccnn21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220553289 774844638 /nfs/dbraw/zinc/84/46/38/774844638.db2.gz JYZMKJMNJOCRLP-HNNXBMFYSA-N 1 3 313.405 0.825 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21)C1CCC1 ZINC001114413474 774850182 /nfs/dbraw/zinc/85/01/82/774850182.db2.gz AQCZARPSVRQMAG-MKVSYHDVSA-N 1 3 307.438 0.554 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21)C1CCC1 ZINC001114413474 774850188 /nfs/dbraw/zinc/85/01/88/774850188.db2.gz AQCZARPSVRQMAG-MKVSYHDVSA-N 1 3 307.438 0.554 20 0 DCADHO O=C(N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC001220808801 774921969 /nfs/dbraw/zinc/92/19/69/774921969.db2.gz XAVVDXWMPMIBEO-SCZZXKLOSA-N 1 3 317.315 0.326 20 0 DCADHO COc1ccc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)c(OC)n1 ZINC001220823943 774925305 /nfs/dbraw/zinc/92/53/05/774925305.db2.gz UKJNSPJHWPIDIZ-ZDUSSCGKSA-N 1 3 324.425 0.774 20 0 DCADHO COc1ccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)c(OC)n1 ZINC001220824129 774925525 /nfs/dbraw/zinc/92/55/25/774925525.db2.gz XTOZMFWYTBZNCG-ZDUSSCGKSA-N 1 3 308.382 0.042 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857761 774937726 /nfs/dbraw/zinc/93/77/26/774937726.db2.gz QVVUFGJMKGRUIL-QWRGUYRKSA-N 1 3 301.431 0.796 20 0 DCADHO O=C(CNC1CC[NH2+]CC1)NCCc1c[nH]c2ccncc12 ZINC001220865919 774939134 /nfs/dbraw/zinc/93/91/34/774939134.db2.gz NYMNOEHMSRAKAE-UHFFFAOYSA-N 1 3 301.394 0.563 20 0 DCADHO O=C(N[C@@H]1CCCc2nccnc21)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220949242 774959759 /nfs/dbraw/zinc/95/97/59/774959759.db2.gz WEOGYQQVYXWWSY-KGLIPLIRSA-N 1 3 315.421 0.844 20 0 DCADHO O=C(N[C@@H]1CCCc2nccnc21)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220949242 774959762 /nfs/dbraw/zinc/95/97/62/774959762.db2.gz WEOGYQQVYXWWSY-KGLIPLIRSA-N 1 3 315.421 0.844 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972619 774966502 /nfs/dbraw/zinc/96/65/02/774966502.db2.gz IOWRSRJPTVTBGO-CQSZACIVSA-N 1 3 305.426 0.790 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972619 774966507 /nfs/dbraw/zinc/96/65/07/774966507.db2.gz IOWRSRJPTVTBGO-CQSZACIVSA-N 1 3 305.426 0.790 20 0 DCADHO COc1cccc(C(C)(C)CNC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001220997123 774973899 /nfs/dbraw/zinc/97/38/99/774973899.db2.gz XHBQAUXRKFJMSD-LBPRGKRZSA-N 1 3 308.426 0.940 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NCC1(Cc2ccncc2)CCOCC1 ZINC001220996864 774973909 /nfs/dbraw/zinc/97/39/09/774973909.db2.gz MDKDSIXTOVNRTP-OAHLLOKOSA-N 1 3 320.437 0.603 20 0 DCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1CNC[C@H](F)C1 ZINC001221114234 774999547 /nfs/dbraw/zinc/99/95/47/774999547.db2.gz RSBSWGMTDUSRCS-UONOGXRCSA-N 1 3 320.412 0.767 20 0 DCADHO CC(C)CC1(NC(=O)[C@H](N)CCC[NH3+])CCS(=O)(=O)CC1 ZINC001221214282 775024709 /nfs/dbraw/zinc/02/47/09/775024709.db2.gz AAJDXHVYHJQAHX-GFCCVEGCSA-N 1 3 319.471 0.162 20 0 DCADHO N[C@@H](C(=O)NCc1ccc(-n2ccnn2)cc1)C1CC[NH2+]CC1 ZINC001221339733 775073512 /nfs/dbraw/zinc/07/35/12/775073512.db2.gz ODDCKDXQKDHGPL-OAHLLOKOSA-N 1 3 314.393 0.210 20 0 DCADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)NCCCC[NH3+] ZINC001221344699 775074879 /nfs/dbraw/zinc/07/48/79/775074879.db2.gz DCYCUFVYAILYDL-CQSZACIVSA-N 1 3 307.394 0.692 20 0 DCADHO COC(=O)C12CCC(NC(=O)[C@@H](N)C3CC[NH2+]CC3)(CC1)C2 ZINC001221366197 775078038 /nfs/dbraw/zinc/07/80/38/775078038.db2.gz LYLYJUWENCAHTH-JQRITLKVSA-N 1 3 309.410 0.305 20 0 DCADHO O=C(NCCOc1cccc2ccoc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001221384423 775082031 /nfs/dbraw/zinc/08/20/31/775082031.db2.gz ZRVIKHPXWJUBQQ-ZDUSSCGKSA-N 1 3 315.373 0.737 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3[NH2+][C@H]4CC[C@@H]3C4)CC2)NC1 ZINC001221392565 775083671 /nfs/dbraw/zinc/08/36/71/775083671.db2.gz XZSSNKOUMBIPJX-INWMFGNUSA-N 1 3 302.422 0.695 20 0 DCADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001221393371 775084369 /nfs/dbraw/zinc/08/43/69/775084369.db2.gz XCTMGLJEURMVPC-AWEZNQCLSA-N 1 3 306.410 0.113 20 0 DCADHO O=C(CNC1CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397252 775085839 /nfs/dbraw/zinc/08/58/39/775085839.db2.gz IISZFDMNQMPVPA-INIZCTEOSA-N 1 3 302.422 0.159 20 0 DCADHO COCC1(NC(=O)[C@@H](N)CSCC[NH3+])Cc2ccccc2C1 ZINC001221397333 775086027 /nfs/dbraw/zinc/08/60/27/775086027.db2.gz WSDDDNVXRXOQLS-AWEZNQCLSA-N 1 3 323.462 0.306 20 0 DCADHO CC(C)[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cccc(N)n1 ZINC001221405617 775089501 /nfs/dbraw/zinc/08/95/01/775089501.db2.gz MLCNQERUEGUKRU-BXUZGUMPSA-N 1 3 303.410 0.286 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945755 775234099 /nfs/dbraw/zinc/23/40/99/775234099.db2.gz YHQRLLJKVAJJMB-BZUAXINKSA-N 1 3 309.454 0.897 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001221945755 775234104 /nfs/dbraw/zinc/23/41/04/775234104.db2.gz YHQRLLJKVAJJMB-BZUAXINKSA-N 1 3 309.454 0.897 20 0 DCADHO COC(=O)[C@H]1CC[C@H](C[N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001222491645 775365920 /nfs/dbraw/zinc/36/59/20/775365920.db2.gz GBELCYNAXRIJLY-VGWMRTNUSA-N 1 3 309.454 0.992 20 0 DCADHO COC(=O)[C@H]1CC[C@H](C[N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001222491645 775365931 /nfs/dbraw/zinc/36/59/31/775365931.db2.gz GBELCYNAXRIJLY-VGWMRTNUSA-N 1 3 309.454 0.992 20 0 DCADHO O=C1CN(C[C@@H]2Cc3ccccc3CN2)CC2(CC[NH2+]CC2)N1 ZINC001222514673 775374063 /nfs/dbraw/zinc/37/40/63/775374063.db2.gz BKNPIZFABCDCMD-INIZCTEOSA-N 1 3 314.433 0.255 20 0 DCADHO FC(F)(F)[C@H]1N(C[C@H]2COCCN2)CCC12CC[NH2+]CC2 ZINC001222642617 775405887 /nfs/dbraw/zinc/40/58/87/775405887.db2.gz MBWGEOWUEPXJIM-RYUDHWBXSA-N 1 3 307.360 0.981 20 0 DCADHO C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CCCC1 ZINC001227743009 776003716 /nfs/dbraw/zinc/00/37/16/776003716.db2.gz ZJMMOEZRCARCRH-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227806526 776008723 /nfs/dbraw/zinc/00/87/23/776008723.db2.gz DCEVLOSJTLFWEH-AWEZNQCLSA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+](C)[C@H](C(=O)NC1CCN(CCn2cncn2)CC1)C1CC1 ZINC001227816404 776011443 /nfs/dbraw/zinc/01/14/43/776011443.db2.gz DGCSZWRFXMZZRY-HNNXBMFYSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001114836206 776209418 /nfs/dbraw/zinc/20/94/18/776209418.db2.gz YXRZVZHSXPXCNV-KMANFZQXSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001114836206 776209423 /nfs/dbraw/zinc/20/94/23/776209423.db2.gz YXRZVZHSXPXCNV-KMANFZQXSA-N 1 3 321.465 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001229860176 776231585 /nfs/dbraw/zinc/23/15/85/776231585.db2.gz NLSOWPCLUHGSDB-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356216 777223567 /nfs/dbraw/zinc/22/35/67/777223567.db2.gz VBNMQJIUGQIRJT-ZBFHGGJFSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356216 777223574 /nfs/dbraw/zinc/22/35/74/777223574.db2.gz VBNMQJIUGQIRJT-ZBFHGGJFSA-N 1 3 309.454 0.776 20 0 DCADHO CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489488 777316133 /nfs/dbraw/zinc/31/61/33/777316133.db2.gz UJFAPBGLTVOSKO-AUCMRZJMSA-N 1 3 319.449 0.794 20 0 DCADHO CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489488 777316138 /nfs/dbraw/zinc/31/61/38/777316138.db2.gz UJFAPBGLTVOSKO-AUCMRZJMSA-N 1 3 319.449 0.794 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC001041713220 777443230 /nfs/dbraw/zinc/44/32/30/777443230.db2.gz FXKITVLKXYARAQ-PBHICJAKSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC001041713220 777443234 /nfs/dbraw/zinc/44/32/34/777443234.db2.gz FXKITVLKXYARAQ-PBHICJAKSA-N 1 3 318.421 0.913 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712808 777443397 /nfs/dbraw/zinc/44/33/97/777443397.db2.gz XBARMJFEMIUGJP-BBRMVZONSA-N 1 3 306.410 0.912 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712808 777443398 /nfs/dbraw/zinc/44/33/98/777443398.db2.gz XBARMJFEMIUGJP-BBRMVZONSA-N 1 3 306.410 0.912 20 0 DCADHO CN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001317573287 945065132 /nfs/dbraw/zinc/06/51/32/945065132.db2.gz NVBPWAPFEKUWFE-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)CCC[NH+]1CCC2(CN(S(=O)(=O)N(C)C)C2)CC1 ZINC001278055895 945118763 /nfs/dbraw/zinc/11/87/63/945118763.db2.gz NSTBGOWUVYKKPP-UHFFFAOYSA-N 1 3 318.487 0.142 20 0 DCADHO CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C[C@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001278149014 945157296 /nfs/dbraw/zinc/15/72/96/945157296.db2.gz UVGWWUAPWGGBNF-FZKCQIBNSA-N 1 3 309.454 0.896 20 0 DCADHO CN(C)C(=O)C[C@@H]1C[C@@H]2CN(C[C@H]3CCC[N@@H+](C)C3)C[C@@H]2O1 ZINC001278149014 945157300 /nfs/dbraw/zinc/15/73/00/945157300.db2.gz UVGWWUAPWGGBNF-FZKCQIBNSA-N 1 3 309.454 0.896 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001317709199 945167728 /nfs/dbraw/zinc/16/77/28/945167728.db2.gz KAKHFPXGUMCFEM-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001317709199 945167730 /nfs/dbraw/zinc/16/77/30/945167730.db2.gz KAKHFPXGUMCFEM-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702280 939214801 /nfs/dbraw/zinc/21/48/01/939214801.db2.gz VSRKFWJIITWBKS-OAHLLOKOSA-N 1 3 324.469 0.148 20 0 DCADHO Cc1nc[nH]c1CN1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278353708 945237351 /nfs/dbraw/zinc/23/73/51/945237351.db2.gz ONZSMMFJXGKOPO-CXAGYDPISA-N 1 3 317.437 0.750 20 0 DCADHO NC(=O)CN1CCC[C@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001267181851 939374826 /nfs/dbraw/zinc/37/48/26/939374826.db2.gz OWIBIVLIQPFXEG-OAHLLOKOSA-N 1 3 324.469 0.709 20 0 DCADHO CCNC(=O)CN(CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001267334344 939427432 /nfs/dbraw/zinc/42/74/32/939427432.db2.gz HQRNNQGPXZWTAL-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(CO)cc1 ZINC001480936199 939440241 /nfs/dbraw/zinc/44/02/41/939440241.db2.gz BONMVLUVJZUCFA-UHFFFAOYSA-N 1 3 317.433 0.823 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267439453 939456711 /nfs/dbraw/zinc/45/67/11/939456711.db2.gz IWDPKGNCEBGOBQ-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267439453 939456713 /nfs/dbraw/zinc/45/67/13/939456713.db2.gz IWDPKGNCEBGOBQ-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001267456823 939461555 /nfs/dbraw/zinc/46/15/55/939461555.db2.gz KXIIKDFJZZJZOH-UHFFFAOYSA-N 1 3 318.421 0.734 20 0 DCADHO C[C@H](O)CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481496291 939902202 /nfs/dbraw/zinc/90/22/02/939902202.db2.gz ARDCOCPPMCLUJS-UONOGXRCSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@H](O)CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481496291 939902206 /nfs/dbraw/zinc/90/22/06/939902206.db2.gz ARDCOCPPMCLUJS-UONOGXRCSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001496443857 939971615 /nfs/dbraw/zinc/97/16/15/939971615.db2.gz IWTSRGUKXNBLHP-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001409967970 945291637 /nfs/dbraw/zinc/29/16/37/945291637.db2.gz DVEIXSZDIAASHQ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001409967970 945291645 /nfs/dbraw/zinc/29/16/45/945291645.db2.gz DVEIXSZDIAASHQ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001481812317 940148738 /nfs/dbraw/zinc/14/87/38/940148738.db2.gz KPQDGNXFRNZCLC-GOEBONIOSA-N 1 3 319.453 0.746 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268479833 940176791 /nfs/dbraw/zinc/17/67/91/940176791.db2.gz UZZGMSAYHVGYNE-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268479833 940176789 /nfs/dbraw/zinc/17/67/89/940176789.db2.gz UZZGMSAYHVGYNE-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@@H](O)COc1ccc(CCO)cc1 ZINC001245983315 945304515 /nfs/dbraw/zinc/30/45/15/945304515.db2.gz ODTJJTRSUYJMMW-HYVNUMGLSA-N 1 3 322.449 0.796 20 0 DCADHO CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482070688 940244043 /nfs/dbraw/zinc/24/40/43/940244043.db2.gz USACUDAEXMHEQW-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\CN[C@H](C)C(N)=O)C1 ZINC001268582136 940265435 /nfs/dbraw/zinc/26/54/35/940265435.db2.gz GMTSKVMPPFKAQB-VSVUCHCSSA-N 1 3 310.442 0.244 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\CN[C@H](C)C(N)=O)C1 ZINC001268582136 940265436 /nfs/dbraw/zinc/26/54/36/940265436.db2.gz GMTSKVMPPFKAQB-VSVUCHCSSA-N 1 3 310.442 0.244 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)N(C)C1CC1 ZINC001482144482 940283153 /nfs/dbraw/zinc/28/31/53/940283153.db2.gz SRRMYAUZZNSUFT-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001268799752 940364841 /nfs/dbraw/zinc/36/48/41/940364841.db2.gz GMEUAZHHHUUWMD-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO NC[C@]1(O)CCCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC001246024143 945318416 /nfs/dbraw/zinc/31/84/16/945318416.db2.gz QQQBNSQWXVRRQN-DLBZAZTESA-N 1 3 308.422 0.740 20 0 DCADHO NC[C@]1(O)CCCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC001246024143 945318426 /nfs/dbraw/zinc/31/84/26/945318426.db2.gz QQQBNSQWXVRRQN-DLBZAZTESA-N 1 3 308.422 0.740 20 0 DCADHO [NH3+]C[C@]1(O)CCCCN(C[C@H](O)COCc2ccccc2)C1 ZINC001246024143 945318435 /nfs/dbraw/zinc/31/84/35/945318435.db2.gz QQQBNSQWXVRRQN-DLBZAZTESA-N 1 3 308.422 0.740 20 0 DCADHO COc1cccc([C@@H](O)CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001246030811 945325094 /nfs/dbraw/zinc/32/50/94/945325094.db2.gz PCRNQXSXKAMXCS-INIZCTEOSA-N 1 3 305.422 0.756 20 0 DCADHO CN(C)C(=O)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001269895768 940794668 /nfs/dbraw/zinc/79/46/68/940794668.db2.gz YTLCLQREKSOJDZ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H](CNCC(N)=O)C2CCCCC2)CC1 ZINC001482409889 941211907 /nfs/dbraw/zinc/21/19/07/941211907.db2.gz RQOFTHQWKJGGED-CQSZACIVSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001270996245 941236895 /nfs/dbraw/zinc/23/68/95/941236895.db2.gz QPNNGVQOKWNJIC-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001270996246 941236915 /nfs/dbraw/zinc/23/69/15/941236915.db2.gz QPNNGVQOKWNJIC-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CN(C)C2CCC2)C1)[NH+](C)C ZINC001409066558 941306504 /nfs/dbraw/zinc/30/65/04/941306504.db2.gz CWKBZRNTYSZZDF-INIZCTEOSA-N 1 3 324.469 0.384 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001409066954 941307291 /nfs/dbraw/zinc/30/72/91/941307291.db2.gz SAXTUPLNDNPRGG-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001409066954 941307292 /nfs/dbraw/zinc/30/72/92/941307292.db2.gz SAXTUPLNDNPRGG-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CCCCN1C ZINC001482933667 941716824 /nfs/dbraw/zinc/71/68/24/941716824.db2.gz LVPSKZMJXCNMNW-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161574 941916607 /nfs/dbraw/zinc/91/66/07/941916607.db2.gz NKECAXGHPWBITG-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCN1CCCC1=O ZINC001409627404 942101903 /nfs/dbraw/zinc/10/19/03/942101903.db2.gz BVLJWDIXVMVLLB-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001483251598 942208083 /nfs/dbraw/zinc/20/80/83/942208083.db2.gz GWUCPOGAYGLIPF-ZDUSSCGKSA-N 1 3 320.437 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)N1CCCCC1 ZINC001483281272 942234499 /nfs/dbraw/zinc/23/44/99/942234499.db2.gz USJGPGHGFNWZPD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)N1CCCCC1 ZINC001483281272 942234503 /nfs/dbraw/zinc/23/45/03/942234503.db2.gz USJGPGHGFNWZPD-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@@H]2CCCNC2=O)C2CC2)CCC1 ZINC001483567345 942426904 /nfs/dbraw/zinc/42/69/04/942426904.db2.gz ZYASXCAKBIHXLA-KGLIPLIRSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001127082801 942466517 /nfs/dbraw/zinc/46/65/17/942466517.db2.gz ZENOCQBBIAQATM-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001127082801 942466518 /nfs/dbraw/zinc/46/65/18/942466518.db2.gz ZENOCQBBIAQATM-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CCO)CC[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001413208100 942562457 /nfs/dbraw/zinc/56/24/57/942562457.db2.gz YDGCVXMXVHJVIR-UHFFFAOYSA-N 1 3 313.486 0.924 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001272476778 942776001 /nfs/dbraw/zinc/77/60/01/942776001.db2.gz TVKQKKPSWCPLBV-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)CCN1C[C@]2(CC1=O)COCC[N@H+](CC1CCC1)C2 ZINC001272518317 942799379 /nfs/dbraw/zinc/79/93/79/942799379.db2.gz UGAFYHSTEAWLLA-QGZVFWFLSA-N 1 3 309.454 0.899 20 0 DCADHO CN(C)CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CCC1)C2 ZINC001272518317 942799385 /nfs/dbraw/zinc/79/93/85/942799385.db2.gz UGAFYHSTEAWLLA-QGZVFWFLSA-N 1 3 309.454 0.899 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C)N(C)C ZINC001272612086 942866628 /nfs/dbraw/zinc/86/66/28/942866628.db2.gz LCHRDQWHHDMVDY-OWCLPIDISA-N 1 3 310.486 0.809 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001483915383 943019965 /nfs/dbraw/zinc/01/99/65/943019965.db2.gz WMULRZXGNRTRJO-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C ZINC001483959413 943047574 /nfs/dbraw/zinc/04/75/74/943047574.db2.gz TUPGIRFSAMGROM-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO Cn1nccc1CCN1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001484058803 943120325 /nfs/dbraw/zinc/12/03/25/943120325.db2.gz VBCSCDYUYAEISA-INIZCTEOSA-N 1 3 307.442 0.495 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001484142693 943164403 /nfs/dbraw/zinc/16/44/03/943164403.db2.gz ZVKZPCCRWBIPBS-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(CCOC2CCC2)C1 ZINC001484238960 943245204 /nfs/dbraw/zinc/24/52/04/943245204.db2.gz NZURSZLYZHNLCN-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484526403 943442387 /nfs/dbraw/zinc/44/23/87/943442387.db2.gz XMRGICJBGHSGSI-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001484546870 943448772 /nfs/dbraw/zinc/44/87/72/943448772.db2.gz KTPDTPANJFMRRI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001484634625 943483395 /nfs/dbraw/zinc/48/33/95/943483395.db2.gz PUSNARUGXWYOEK-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001484634625 943483398 /nfs/dbraw/zinc/48/33/98/943483398.db2.gz PUSNARUGXWYOEK-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001484662142 943499140 /nfs/dbraw/zinc/49/91/40/943499140.db2.gz ABOQAJCNZXHDIR-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001484662142 943499141 /nfs/dbraw/zinc/49/91/41/943499141.db2.gz ABOQAJCNZXHDIR-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001490898257 943586418 /nfs/dbraw/zinc/58/64/18/943586418.db2.gz YBWHAEIZPQUISG-JHJVBQTASA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001491044897 943725205 /nfs/dbraw/zinc/72/52/05/943725205.db2.gz RAGZRCGRVKLVMV-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001485188682 943745491 /nfs/dbraw/zinc/74/54/91/943745491.db2.gz DRMRJXFUQIYGKM-OLZOCXBDSA-N 1 3 320.437 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(C)(C)C ZINC001485207450 943756680 /nfs/dbraw/zinc/75/66/80/943756680.db2.gz MXOUAGNAAVSFEN-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(C)(C)C ZINC001485207450 943756683 /nfs/dbraw/zinc/75/66/83/943756683.db2.gz MXOUAGNAAVSFEN-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001491152582 943790546 /nfs/dbraw/zinc/79/05/46/943790546.db2.gz CXUDOHLTXQXEEC-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(C)(C)C ZINC001491457337 944010444 /nfs/dbraw/zinc/01/04/44/944010444.db2.gz QDNCVWPBHZPBHB-JHJVBQTASA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(C)(C)C ZINC001491457337 944010449 /nfs/dbraw/zinc/01/04/49/944010449.db2.gz QDNCVWPBHZPBHB-JHJVBQTASA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H]([NH2+]CCF)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001485638934 944045750 /nfs/dbraw/zinc/04/57/50/944045750.db2.gz MXPXIGWBBGVRPB-JSGCOSHPSA-N 1 3 301.406 0.646 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203047087 944143880 /nfs/dbraw/zinc/14/38/80/944143880.db2.gz SNHVVNXDIGGFRO-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001485825316 944200167 /nfs/dbraw/zinc/20/01/67/944200167.db2.gz ARJWDYJSPUPPJD-IUODEOHRSA-N 1 3 306.410 0.815 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001485833914 944262860 /nfs/dbraw/zinc/26/28/60/944262860.db2.gz NGCODUXDWPOJMX-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001485833914 944262871 /nfs/dbraw/zinc/26/28/71/944262871.db2.gz NGCODUXDWPOJMX-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cnccn3)C2)C1=O ZINC001272833071 944267164 /nfs/dbraw/zinc/26/71/64/944267164.db2.gz GWGUIPRGAGYIHW-INIZCTEOSA-N 1 3 303.410 0.463 20 0 DCADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485835050 944271745 /nfs/dbraw/zinc/27/17/45/944271745.db2.gz TYCPRLZXVVGOIX-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485835050 944271750 /nfs/dbraw/zinc/27/17/50/944271750.db2.gz TYCPRLZXVVGOIX-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCN(C2CCC2)C1=O ZINC001485918270 944403089 /nfs/dbraw/zinc/40/30/89/944403089.db2.gz BSDZUIVMJNEUOQ-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)[C@H]1C ZINC001486090556 944548067 /nfs/dbraw/zinc/54/80/67/944548067.db2.gz BKNXTIIOBVZNGK-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001486120496 944577311 /nfs/dbraw/zinc/57/73/11/944577311.db2.gz BSTBYXLGELWDJM-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486120429 944577832 /nfs/dbraw/zinc/57/78/32/944577832.db2.gz AUNBJGFXMMPOMS-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)CCC[NH+](C)C ZINC001486123211 944579279 /nfs/dbraw/zinc/57/92/79/944579279.db2.gz ZLIMZDGTBHOPIM-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001317065811 944771951 /nfs/dbraw/zinc/77/19/51/944771951.db2.gz XWYGLDGXKHIGBM-JQWIXIFHSA-N 1 3 314.336 0.567 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1cnnn1C)CC2 ZINC001277599468 944900070 /nfs/dbraw/zinc/90/00/70/944900070.db2.gz MGQFLYWGZMUWJM-UHFFFAOYSA-N 1 3 320.441 0.191 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1cnnn1C)CC2 ZINC001277599468 944900081 /nfs/dbraw/zinc/90/00/81/944900081.db2.gz MGQFLYWGZMUWJM-UHFFFAOYSA-N 1 3 320.441 0.191 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H](NC2(CCOC)CC[NH2+]CC2)CCN1 ZINC001246394574 945403216 /nfs/dbraw/zinc/40/32/16/945403216.db2.gz UAXXYJDRXMCDHK-KGLIPLIRSA-N 1 3 313.442 0.418 20 0 DCADHO COc1cccc2c1C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CO2 ZINC001246406189 945405523 /nfs/dbraw/zinc/40/55/23/945405523.db2.gz RRBFVDRXNXRXID-YPMHNXCESA-N 1 3 307.394 0.571 20 0 DCADHO COC(=O)c1ccc(C[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O)cc1 ZINC001246407264 945405609 /nfs/dbraw/zinc/40/56/09/945405609.db2.gz XYTFRGDOQAFZTL-DOMZBBRYSA-N 1 3 321.421 0.977 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246627759 945446252 /nfs/dbraw/zinc/44/62/52/945446252.db2.gz XGARKXNOYRENGA-JYJNAYRXSA-N 1 3 303.406 0.927 20 0 DCADHO COCCN1CCOC[C@]2(CCCN([C@@H]3CCC[NH2+]C3)C2)C1 ZINC001246698232 945463204 /nfs/dbraw/zinc/46/32/04/945463204.db2.gz WRKDXSAWYGPQFF-IAGOWNOFSA-N 1 3 311.470 0.799 20 0 DCADHO c1ncc(O[C@H]2C[C@@H]3CN(C4CC[NH2+]CC4)CCN3C2)cn1 ZINC001246709467 945466855 /nfs/dbraw/zinc/46/68/55/945466855.db2.gz ONPYPBKKZRZJAI-CABCVRRESA-N 1 3 303.410 0.366 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CCN1 ZINC001246713108 945469967 /nfs/dbraw/zinc/46/99/67/945469967.db2.gz BGCICBDUWAXQSA-MIGQKNRLSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CCN1 ZINC001246713108 945469970 /nfs/dbraw/zinc/46/99/70/945469970.db2.gz BGCICBDUWAXQSA-MIGQKNRLSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@@H]1C[C@H](N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)CC[NH2+]1 ZINC001246713108 945469972 /nfs/dbraw/zinc/46/99/72/945469972.db2.gz BGCICBDUWAXQSA-MIGQKNRLSA-N 1 3 317.437 0.849 20 0 DCADHO C[C@@H]1CC[C@@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)C[NH2+]1 ZINC001246747270 945480670 /nfs/dbraw/zinc/48/06/70/945480670.db2.gz TURUINPIKQFVOW-UKRRQHHQSA-N 1 3 319.453 0.651 20 0 DCADHO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CCNCC2)O1)N1CCCC1 ZINC001246754046 945483456 /nfs/dbraw/zinc/48/34/56/945483456.db2.gz MODXNICNMYFYIP-OAGGEKHMSA-N 1 3 307.438 0.983 20 0 DCADHO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCNCC2)O1)N1CCCC1 ZINC001246754046 945483463 /nfs/dbraw/zinc/48/34/63/945483463.db2.gz MODXNICNMYFYIP-OAGGEKHMSA-N 1 3 307.438 0.983 20 0 DCADHO O=C([C@@H]1CC[C@@H]2[C@@H](CCN2C2CC[NH2+]CC2)O1)N1CCCC1 ZINC001246754046 945483469 /nfs/dbraw/zinc/48/34/69/945483469.db2.gz MODXNICNMYFYIP-OAGGEKHMSA-N 1 3 307.438 0.983 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2CNCCF)CC1 ZINC001319118504 945499312 /nfs/dbraw/zinc/49/93/12/945499312.db2.gz KKQDPKLRPSWTFW-CYBMUJFWSA-N 1 3 301.406 0.647 20 0 DCADHO CN1CCC([N@H+](C2CCNCC2)C2C[C@@H]3COC[C@H](C2)N3)CC1 ZINC001246995883 945539440 /nfs/dbraw/zinc/53/94/40/945539440.db2.gz VIZGLKIWROHSTM-MVVMVCHASA-N 1 3 322.497 0.654 20 0 DCADHO CN1CCC([N@@H+](C2CCNCC2)C2C[C@@H]3COC[C@H](C2)N3)CC1 ZINC001246995883 945539444 /nfs/dbraw/zinc/53/94/44/945539444.db2.gz VIZGLKIWROHSTM-MVVMVCHASA-N 1 3 322.497 0.654 20 0 DCADHO O[C@@H]1C[NH2+]C[C@H](c2nc(-c3ccc4c(n3)CCNC4)no2)C1 ZINC001247748869 945572762 /nfs/dbraw/zinc/57/27/62/945572762.db2.gz MFLMDBMQVOXCDA-MNOVXSKESA-N 1 3 301.350 0.215 20 0 DCADHO O[C@@H]1CC[NH2+]C[C@@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247759737 945574261 /nfs/dbraw/zinc/57/42/61/945574261.db2.gz VYYISJMBUIYZGO-GXFFZTMASA-N 1 3 301.350 0.215 20 0 DCADHO c1cc2c(cc1-c1noc([C@@H]3CNCC34C[NH2+]C4)n1)OCCO2 ZINC001247828276 945576177 /nfs/dbraw/zinc/57/61/77/945576177.db2.gz CDDCBUFZAGBKIL-NSHDSACASA-N 1 3 314.345 0.784 20 0 DCADHO C[C@@H]1C[NH2+]CCN1Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248312253 945595519 /nfs/dbraw/zinc/59/55/19/945595519.db2.gz LNCMVHXHRFFONE-LLVKDONJSA-N 1 3 314.393 0.571 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001487441275 945773296 /nfs/dbraw/zinc/77/32/96/945773296.db2.gz UITXQQKPEVCZOY-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001487441275 945773303 /nfs/dbraw/zinc/77/33/03/945773303.db2.gz UITXQQKPEVCZOY-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCCF)N1CCCCCC1 ZINC001320282448 945801501 /nfs/dbraw/zinc/80/15/01/945801501.db2.gz HWDKCLADMWRCQA-KBPBESRZSA-N 1 3 303.422 0.677 20 0 DCADHO C[C@H](CC[NH2+]CCN1CCCC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001320447135 945882053 /nfs/dbraw/zinc/88/20/53/945882053.db2.gz QJRBKZCLVSRBNP-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COC(=O)[C@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001252445671 945933507 /nfs/dbraw/zinc/93/35/07/945933507.db2.gz WFPPQIHZXAWRSR-OAHLLOKOSA-N 1 3 307.394 0.417 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](CO)Cc1cccc(OC)c1 ZINC001253211034 946095903 /nfs/dbraw/zinc/09/59/03/946095903.db2.gz SFGWJHYBYJSLHI-CVEARBPZSA-N 1 3 310.438 0.891 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001321096101 946162936 /nfs/dbraw/zinc/16/29/36/946162936.db2.gz GGESGNNVRNQINF-ZHAXYTGKSA-N 1 3 322.453 0.401 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001321096101 946162939 /nfs/dbraw/zinc/16/29/39/946162939.db2.gz GGESGNNVRNQINF-ZHAXYTGKSA-N 1 3 322.453 0.401 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001321251250 946238216 /nfs/dbraw/zinc/23/82/16/946238216.db2.gz JTTGBHFODWLCQB-WHJWBVKISA-N 1 3 324.469 0.505 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001410374873 946271985 /nfs/dbraw/zinc/27/19/85/946271985.db2.gz IQWVXZNQBYCJLH-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3ncccc3[O-])C2)C1=O ZINC001273325995 946642665 /nfs/dbraw/zinc/64/26/65/946642665.db2.gz VAQBRXWGXJOJBO-QGZVFWFLSA-N 1 3 318.421 0.773 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3ncccc3[O-])C2)C1=O ZINC001273325995 946642671 /nfs/dbraw/zinc/64/26/71/946642671.db2.gz VAQBRXWGXJOJBO-QGZVFWFLSA-N 1 3 318.421 0.773 20 0 DCADHO CCOC(=O)CN(CC[NH3+])C1CCN(Cc2ccncc2)CC1 ZINC001256583450 946644327 /nfs/dbraw/zinc/64/43/27/946644327.db2.gz DVQWEEOJGGWFHU-UHFFFAOYSA-N 1 3 320.437 0.870 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001410764665 946908140 /nfs/dbraw/zinc/90/81/40/946908140.db2.gz MGNLAYBXZLZGEN-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001410764665 946908151 /nfs/dbraw/zinc/90/81/51/946908151.db2.gz MGNLAYBXZLZGEN-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ncc(CN[C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)cn1 ZINC001410859947 947042438 /nfs/dbraw/zinc/04/24/38/947042438.db2.gz MPMUGZXKQPHTTP-IUODEOHRSA-N 1 3 305.426 0.816 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC)[C@H]1C ZINC001410860765 947044771 /nfs/dbraw/zinc/04/47/71/947044771.db2.gz OARCNCZNFUITHW-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC)[C@H]1C ZINC001410860765 947044781 /nfs/dbraw/zinc/04/47/81/947044781.db2.gz OARCNCZNFUITHW-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001411120310 947352712 /nfs/dbraw/zinc/35/27/12/947352712.db2.gz DXHGNWVLJSFKAP-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001324236660 947360991 /nfs/dbraw/zinc/36/09/91/947360991.db2.gz PQMVMZAQGPGDHA-HNNXBMFYSA-N 1 3 316.409 0.509 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262064327 947545125 /nfs/dbraw/zinc/54/51/25/947545125.db2.gz XYRKGIWTYRCZCO-RFQIPJPRSA-N 1 3 310.442 0.077 20 0 DCADHO CCN(C)[C@@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001263211471 947821000 /nfs/dbraw/zinc/82/10/00/947821000.db2.gz QJDCNWJAEJWQLC-MRXNPFEDSA-N 1 3 304.438 0.701 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)cn1 ZINC001179481828 947848213 /nfs/dbraw/zinc/84/82/13/947848213.db2.gz LBVVIQWOHYGRKL-WFASDCNBSA-N 1 3 305.426 0.816 20 0 DCADHO C[C@H](NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C1CC1 ZINC001179486394 947851595 /nfs/dbraw/zinc/85/15/95/947851595.db2.gz LZDQXOWGWSAEFN-YDHLFZDLSA-N 1 3 324.469 0.432 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534555 947853824 /nfs/dbraw/zinc/85/38/24/947853824.db2.gz OSXLKSLVQUAIAQ-AJNGGQMLSA-N 1 3 313.442 0.057 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+][C@H]1CCNC1=O)N(C)C ZINC001179609306 947874432 /nfs/dbraw/zinc/87/44/32/947874432.db2.gz NKKUNRMEJDGPQX-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCOC(=O)CCN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273469504 947909426 /nfs/dbraw/zinc/90/94/26/947909426.db2.gz JMCVOXJXRGEAPL-INIZCTEOSA-N 1 3 311.426 0.568 20 0 DCADHO CN1CCN(CCCN2CC3(CCC2=O)CC[NH+](C)CC3)CC1 ZINC001273516876 947938723 /nfs/dbraw/zinc/93/87/23/947938723.db2.gz HFSLVUKGHHNKMB-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO Cc1cc(N2CC3(C2)COCC(=O)N3CCN(C)C)cc[nH+]1 ZINC001273582873 947967920 /nfs/dbraw/zinc/96/79/20/947967920.db2.gz ISNNDVJBIOLOLE-UHFFFAOYSA-N 1 3 304.394 0.369 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)CN1CCCC1 ZINC001273753184 948066372 /nfs/dbraw/zinc/06/63/72/948066372.db2.gz RJACQGCGLCPMDU-DOTOQJQBSA-N 1 3 309.454 0.947 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1 ZINC001326372597 948141761 /nfs/dbraw/zinc/14/17/61/948141761.db2.gz VIJIMUKEVQFCJL-CYBMUJFWSA-N 1 3 317.397 0.072 20 0 DCADHO CN1CCN(CCC[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC001326796633 948280717 /nfs/dbraw/zinc/28/07/17/948280717.db2.gz ZSMDRZOHDGZNOB-KRWDZBQOSA-N 1 3 310.486 0.467 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]CCCF)C1 ZINC001327602451 948566463 /nfs/dbraw/zinc/56/64/63/948566463.db2.gz CMGSSSPRKDLOPX-OAHLLOKOSA-N 1 3 303.422 0.631 20 0 DCADHO CC[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001328386295 948868910 /nfs/dbraw/zinc/86/89/10/948868910.db2.gz PWZVBNVJFDTGNO-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001488773513 949170255 /nfs/dbraw/zinc/17/02/55/949170255.db2.gz PWHJNIOLMQZAEV-KBXIAJHMSA-N 1 3 322.453 0.091 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001489191033 949589373 /nfs/dbraw/zinc/58/93/73/949589373.db2.gz JQGNYGBSWJOORC-ILXRZTDVSA-N 1 3 315.433 0.439 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001489191033 949589387 /nfs/dbraw/zinc/58/93/87/949589387.db2.gz JQGNYGBSWJOORC-ILXRZTDVSA-N 1 3 315.433 0.439 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001489234777 949653323 /nfs/dbraw/zinc/65/33/23/949653323.db2.gz UOVPAXICHJRMGY-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CCc2cnn(C)c2)C1 ZINC001265923778 950147035 /nfs/dbraw/zinc/14/70/35/950147035.db2.gz WIVHYGGHFWOTEH-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CCc2cnn(C)c2)C1 ZINC001265923778 950147047 /nfs/dbraw/zinc/14/70/47/950147047.db2.gz WIVHYGGHFWOTEH-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001279573369 950626995 /nfs/dbraw/zinc/62/69/95/950626995.db2.gz DIRRGPAJRXVVRP-AWEZNQCLSA-N 1 3 301.406 0.407 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001279573369 950627013 /nfs/dbraw/zinc/62/70/13/950627013.db2.gz DIRRGPAJRXVVRP-AWEZNQCLSA-N 1 3 301.406 0.407 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC001330859361 950717076 /nfs/dbraw/zinc/71/70/76/950717076.db2.gz DNNBIHDFTAISOX-ZFWWWQNUSA-N 1 3 320.437 0.129 20 0 DCADHO CCCCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028492 951440817 /nfs/dbraw/zinc/44/08/17/951440817.db2.gz ONIKEVHDSLMOHV-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CCCC[NH+](C)C ZINC001332047642 951450802 /nfs/dbraw/zinc/45/08/02/951450802.db2.gz IUVWWVDARRFRFF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001365814305 951575831 /nfs/dbraw/zinc/57/58/31/951575831.db2.gz RDWKREDSJAXIPV-BETUJISGSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001365849839 951613452 /nfs/dbraw/zinc/61/34/52/951613452.db2.gz TULKQWOFYPZZHF-BPLDGKMQSA-N 1 3 307.442 0.745 20 0 DCADHO CCC[NH2+]CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001332543157 951687393 /nfs/dbraw/zinc/68/73/93/951687393.db2.gz NMZYKIMKKPWNMP-UHFFFAOYSA-N 1 3 311.474 0.407 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001274579737 951712938 /nfs/dbraw/zinc/71/29/38/951712938.db2.gz WMXVHKLYJSRNIP-PRQMKSPXSA-N 1 3 324.469 0.457 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001274579737 951712943 /nfs/dbraw/zinc/71/29/43/951712943.db2.gz WMXVHKLYJSRNIP-PRQMKSPXSA-N 1 3 324.469 0.457 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)n1 ZINC001275185409 951990937 /nfs/dbraw/zinc/99/09/37/951990937.db2.gz UQLVKZLIAMKHGD-LBPRGKRZSA-N 1 3 322.457 0.474 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC001333349797 952016203 /nfs/dbraw/zinc/01/62/03/952016203.db2.gz HGNPBXFWBBCLMG-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CCn1cncn1 ZINC001316870135 952217097 /nfs/dbraw/zinc/21/70/97/952217097.db2.gz MUGNCQZYHILKQN-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)CCn1cncn1 ZINC001316870135 952217104 /nfs/dbraw/zinc/21/71/04/952217104.db2.gz MUGNCQZYHILKQN-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2CC1 ZINC001276222201 953014009 /nfs/dbraw/zinc/01/40/09/953014009.db2.gz PSOVNAZZEPWZPD-IYBDPMFKSA-N 1 3 319.453 0.652 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2CC1 ZINC001276222201 953014012 /nfs/dbraw/zinc/01/40/12/953014012.db2.gz PSOVNAZZEPWZPD-IYBDPMFKSA-N 1 3 319.453 0.652 20 0 DCADHO C[C@H](CN1CCC(C)CC1)[NH2+]C[C@@H](O)CN1CCN(C)CC1 ZINC001338466560 953016299 /nfs/dbraw/zinc/01/62/99/953016299.db2.gz JIONGDBWLRQVLH-IAGOWNOFSA-N 1 3 312.502 0.305 20 0 DCADHO [NH3+]CCOCC(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001341999880 953263468 /nfs/dbraw/zinc/26/34/68/953263468.db2.gz ISPKVQASGMTBMB-KGLIPLIRSA-N 1 3 319.405 0.471 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001366061823 953635603 /nfs/dbraw/zinc/63/56/03/953635603.db2.gz LJICMWFMYABVNB-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366064210 953639007 /nfs/dbraw/zinc/63/90/07/953639007.db2.gz AONUHCWKSUFUBT-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001366064210 953639013 /nfs/dbraw/zinc/63/90/13/953639013.db2.gz AONUHCWKSUFUBT-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001366101545 953685719 /nfs/dbraw/zinc/68/57/19/953685719.db2.gz YMHRRQXJGZTURS-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001366112655 953702825 /nfs/dbraw/zinc/70/28/25/953702825.db2.gz RNBYTFBTVNFVKR-TUVASFSCSA-N 1 3 313.442 0.103 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001366181717 953790043 /nfs/dbraw/zinc/79/00/43/953790043.db2.gz RUANCOJVLARHNP-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001366207544 953825660 /nfs/dbraw/zinc/82/56/60/953825660.db2.gz TWDVSCDMGSRGFH-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001366218085 953842076 /nfs/dbraw/zinc/84/20/76/953842076.db2.gz SFPLHSVZAYBBEP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001366224544 953852879 /nfs/dbraw/zinc/85/28/79/953852879.db2.gz FAHIYZTTWAGUIV-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001366408274 954163141 /nfs/dbraw/zinc/16/31/41/954163141.db2.gz LWNHHFORHYLJRB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](N2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001366689819 954657059 /nfs/dbraw/zinc/65/70/59/954657059.db2.gz NQHIAIWHXCIWJN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001349378661 954731028 /nfs/dbraw/zinc/73/10/28/954731028.db2.gz IBLNASLFZGGAMA-DZGCQCFKSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001349378661 954731037 /nfs/dbraw/zinc/73/10/37/954731037.db2.gz IBLNASLFZGGAMA-DZGCQCFKSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(N)=O ZINC001366827014 954899605 /nfs/dbraw/zinc/89/96/05/954899605.db2.gz PVZRYGXGGCJUKJ-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(N)=O ZINC001366827014 954899617 /nfs/dbraw/zinc/89/96/17/954899617.db2.gz PVZRYGXGGCJUKJ-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@H](C)C(=O)NC)C1 ZINC001366843742 954921431 /nfs/dbraw/zinc/92/14/31/954921431.db2.gz IXDZVDSBIZDPNI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@H](C)C(=O)NC)C1 ZINC001366843742 954921438 /nfs/dbraw/zinc/92/14/38/954921438.db2.gz IXDZVDSBIZDPNI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(=O)N(C)C ZINC001367103301 955311019 /nfs/dbraw/zinc/31/10/19/955311019.db2.gz QCTIBXZOFIVICU-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]CCn1cncn1 ZINC001367099867 955312295 /nfs/dbraw/zinc/31/22/95/955312295.db2.gz IDPAGSBYHLGSNE-HUUCEWRRSA-N 1 3 322.457 0.635 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)CC ZINC001367124239 955352760 /nfs/dbraw/zinc/35/27/60/955352760.db2.gz IAWKDYRGGDXVMU-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC(C)C ZINC001367133704 955373865 /nfs/dbraw/zinc/37/38/65/955373865.db2.gz FQWPOWDXUPPLLJ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001367182403 955438270 /nfs/dbraw/zinc/43/82/70/955438270.db2.gz HIKPZUCLBKIVIK-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001367186008 955439856 /nfs/dbraw/zinc/43/98/56/955439856.db2.gz IHPDGWVXKGDVPE-MKBNYLNASA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001367186008 955439862 /nfs/dbraw/zinc/43/98/62/955439862.db2.gz IHPDGWVXKGDVPE-MKBNYLNASA-N 1 3 310.442 0.077 20 0 DCADHO CCCN(C)CC(=O)N[C@](C)(C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001367196391 955453082 /nfs/dbraw/zinc/45/30/82/955453082.db2.gz LFUWLOOJQDPDJJ-RHSMWYFYSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001367198886 955453609 /nfs/dbraw/zinc/45/36/09/955453609.db2.gz BVUSEWVCANHFCU-XGUBFFRZSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001367221344 955475792 /nfs/dbraw/zinc/47/57/92/955475792.db2.gz QLANGUWYSQHMSN-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367221917 955479980 /nfs/dbraw/zinc/47/99/80/955479980.db2.gz MUZHNSPZHIEWTJ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001367225489 955481768 /nfs/dbraw/zinc/48/17/68/955481768.db2.gz FIMMVJPOTRNZTK-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367286655 955590065 /nfs/dbraw/zinc/59/00/65/955590065.db2.gz ILDOTSJEZGKIKH-RYUDHWBXSA-N 1 3 311.455 0.722 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367286655 955590070 /nfs/dbraw/zinc/59/00/70/955590070.db2.gz ILDOTSJEZGKIKH-RYUDHWBXSA-N 1 3 311.455 0.722 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1)N(C)C ZINC001367319393 955642401 /nfs/dbraw/zinc/64/24/01/955642401.db2.gz XFQXBSSAFBXQQY-STQMWFEESA-N 1 3 312.458 0.465 20 0 DCADHO Cn1cc(CCN2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001480323342 955682655 /nfs/dbraw/zinc/68/26/55/955682655.db2.gz JLUYSSCGRAGVEG-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO Nc1ccnc(CNC(=O)NCCCCCN2CC[NH2+]CC2)c1 ZINC001353476356 956076869 /nfs/dbraw/zinc/07/68/69/956076869.db2.gz OTZPWGUXSGVCTB-UHFFFAOYSA-N 1 3 320.441 0.539 20 0 DCADHO C[C@]1(C(=O)NCCCN2CCc3ccccc3C2)C[C@H](O)C[NH2+]1 ZINC001357364002 957255485 /nfs/dbraw/zinc/25/54/85/957255485.db2.gz ZUFDHIAFPAYSDB-FUHWJXTLSA-N 1 3 317.433 0.664 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001295032805 957626796 /nfs/dbraw/zinc/62/67/96/957626796.db2.gz LUVIYQNABWBDMZ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001414016850 957660262 /nfs/dbraw/zinc/66/02/62/957660262.db2.gz LPKLKGINVQWOFI-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC)C1 ZINC001367381788 957745691 /nfs/dbraw/zinc/74/56/91/957745691.db2.gz JOSUWANBVRMJPJ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC)C1 ZINC001367381788 957745699 /nfs/dbraw/zinc/74/56/99/957745699.db2.gz JOSUWANBVRMJPJ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCn1nncc1CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367387559 957754682 /nfs/dbraw/zinc/75/46/82/957754682.db2.gz VQLYCKBFGDVUNK-KBPBESRZSA-N 1 3 322.457 0.576 20 0 DCADHO CCn1nncc1CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367387559 957754689 /nfs/dbraw/zinc/75/46/89/957754689.db2.gz VQLYCKBFGDVUNK-KBPBESRZSA-N 1 3 322.457 0.576 20 0 DCADHO CCn1nncc1CNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367405204 957775081 /nfs/dbraw/zinc/77/50/81/957775081.db2.gz WMECXZYKDBYJAA-DZGCQCFKSA-N 1 3 324.473 0.821 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001367514076 957939067 /nfs/dbraw/zinc/93/90/67/957939067.db2.gz ZDNZIHJQYLGXHZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001367514076 957939084 /nfs/dbraw/zinc/93/90/84/957939084.db2.gz ZDNZIHJQYLGXHZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001297107975 958140337 /nfs/dbraw/zinc/14/03/37/958140337.db2.gz WWDVLDBYEGBDOE-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001367636554 958238074 /nfs/dbraw/zinc/23/80/74/958238074.db2.gz DSHXYSODCVPVGT-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001367648164 958267885 /nfs/dbraw/zinc/26/78/85/958267885.db2.gz SRLAIJXPMVZCCP-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367653003 958279065 /nfs/dbraw/zinc/27/90/65/958279065.db2.gz FYPIPTREZQOUFO-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001367653003 958279081 /nfs/dbraw/zinc/27/90/81/958279081.db2.gz FYPIPTREZQOUFO-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1sc(Cl)nc1C ZINC001367673746 958330373 /nfs/dbraw/zinc/33/03/73/958330373.db2.gz FGDPCRLQBVWWGX-SSDOTTSWSA-N 1 3 318.830 0.949 20 0 DCADHO Cc1cnccc1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001367673386 958330946 /nfs/dbraw/zinc/33/09/46/958330946.db2.gz DADPHDZIZDCADA-CYBMUJFWSA-N 1 3 306.410 0.551 20 0 DCADHO CCC(CC)C[NH2+]C[C@@H](C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001367674521 958331566 /nfs/dbraw/zinc/33/15/66/958331566.db2.gz ICIWLUHCBQUQKJ-GFCCVEGCSA-N 1 3 324.425 0.078 20 0 DCADHO CCc1c(C(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O)cnn1CC(C)C ZINC001367673145 958331794 /nfs/dbraw/zinc/33/17/94/958331794.db2.gz SZJZAYIKFFMMKB-NEPJUHHUSA-N 1 3 323.441 0.683 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001367694245 958386695 /nfs/dbraw/zinc/38/66/95/958386695.db2.gz CYXSOPKOJCVFFO-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001367707304 958414037 /nfs/dbraw/zinc/41/40/37/958414037.db2.gz RBGGRQQNZDTVAR-VXGBXAGGSA-N 1 3 300.447 0.336 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367766552 958533456 /nfs/dbraw/zinc/53/34/56/958533456.db2.gz SACALDKGHMCVBM-SWLSCSKDSA-N 1 3 309.458 0.909 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298313081 958540540 /nfs/dbraw/zinc/54/05/40/958540540.db2.gz SQKPGKPBXKLDEG-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298313081 958540550 /nfs/dbraw/zinc/54/05/50/958540550.db2.gz SQKPGKPBXKLDEG-RYIMYRPNSA-N 1 3 322.453 0.211 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)NC ZINC001367872297 958748671 /nfs/dbraw/zinc/74/86/71/958748671.db2.gz ZIHYYQAGKXUTTM-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nnc(C)[nH]1 ZINC001367938443 958905308 /nfs/dbraw/zinc/90/53/08/958905308.db2.gz KUEXJMDOTQOXFQ-KBPBESRZSA-N 1 3 322.457 0.782 20 0 DCADHO C[C@H](C(=O)NC[C@H](C)[NH2+]CCn1cncn1)N1CCCCCC1 ZINC001376818307 958915588 /nfs/dbraw/zinc/91/55/88/958915588.db2.gz DQHHIZYTNZAQQP-LSDHHAIUSA-N 1 3 322.457 0.637 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCN(C2CCC2)C1=O ZINC001491632268 958976418 /nfs/dbraw/zinc/97/64/18/958976418.db2.gz RMPJOVXNRIIHAR-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCN(C2CCC2)C1=O ZINC001491632268 958976430 /nfs/dbraw/zinc/97/64/30/958976430.db2.gz RMPJOVXNRIIHAR-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001368048278 959153065 /nfs/dbraw/zinc/15/30/65/959153065.db2.gz XDDAMRALGFLSTR-JALIKCBVSA-N 1 3 322.453 0.328 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001368118252 959277727 /nfs/dbraw/zinc/27/77/27/959277727.db2.gz BTNHZLMBPVNMSK-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001368191534 959431137 /nfs/dbraw/zinc/43/11/37/959431137.db2.gz SSRQILGBPISAHH-YOEHRIQHSA-N 1 3 324.469 0.563 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC/C=C/Cl)C2)C1 ZINC001377174792 959625201 /nfs/dbraw/zinc/62/52/01/959625201.db2.gz MRACRVXNVHLVNX-WBSOJBIMSA-N 1 3 315.845 0.634 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC/C=C/Cl)C2)C1 ZINC001377174792 959625208 /nfs/dbraw/zinc/62/52/08/959625208.db2.gz MRACRVXNVHLVNX-WBSOJBIMSA-N 1 3 315.845 0.634 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC/C=C/Cl)C2)C1 ZINC001377174794 959627002 /nfs/dbraw/zinc/62/70/02/959627002.db2.gz MRACRVXNVHLVNX-YEZGLVMTSA-N 1 3 315.845 0.634 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)(NC/C=C/Cl)C2)C1 ZINC001377174794 959627016 /nfs/dbraw/zinc/62/70/16/959627016.db2.gz MRACRVXNVHLVNX-YEZGLVMTSA-N 1 3 315.845 0.634 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CC2CC2)C1)N(C)C ZINC001377173877 959627389 /nfs/dbraw/zinc/62/73/89/959627389.db2.gz HLAWEPFSOXDXMZ-NVXWUHKLSA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001368347053 959709630 /nfs/dbraw/zinc/70/96/30/959709630.db2.gz SVYFJDNYUGSSAH-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO CCOC(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001362656979 959779798 /nfs/dbraw/zinc/77/97/98/959779798.db2.gz MDIBJIFRMNXHKC-LBPRGKRZSA-N 1 3 302.419 0.121 20 0 DCADHO CCOC(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001362656979 959779812 /nfs/dbraw/zinc/77/98/12/959779812.db2.gz MDIBJIFRMNXHKC-LBPRGKRZSA-N 1 3 302.419 0.121 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCn1nc(C)nc1C ZINC001377365222 959979188 /nfs/dbraw/zinc/97/91/88/959979188.db2.gz LSHGBVXBYXMSQN-HNNXBMFYSA-N 1 3 322.457 0.285 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCn1nc(C)nc1C ZINC001377365222 959979194 /nfs/dbraw/zinc/97/91/94/959979194.db2.gz LSHGBVXBYXMSQN-HNNXBMFYSA-N 1 3 322.457 0.285 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001377401375 960037036 /nfs/dbraw/zinc/03/70/36/960037036.db2.gz FJTLZDZBQPQMPC-ILXRZTDVSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001377401375 960037044 /nfs/dbraw/zinc/03/70/44/960037044.db2.gz FJTLZDZBQPQMPC-ILXRZTDVSA-N 1 3 315.458 0.161 20 0 DCADHO CC[N@H+](CC1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H](C)C(N)=O ZINC001368770463 960247219 /nfs/dbraw/zinc/24/72/19/960247219.db2.gz MBYOIPIURHBRTA-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO CC[N@@H+](CC1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H](C)C(N)=O ZINC001368770463 960247227 /nfs/dbraw/zinc/24/72/27/960247227.db2.gz MBYOIPIURHBRTA-UKRRQHHQSA-N 1 3 324.469 0.515 20 0 DCADHO CN(CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O)CC(C)(C)C ZINC001377592271 960331054 /nfs/dbraw/zinc/33/10/54/960331054.db2.gz MUIAUJWEZCYMNG-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001316825507 960396431 /nfs/dbraw/zinc/39/64/31/960396431.db2.gz RSXRIVUGMCXYPJ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001316825507 960396438 /nfs/dbraw/zinc/39/64/38/960396438.db2.gz RSXRIVUGMCXYPJ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001378442223 960766149 /nfs/dbraw/zinc/76/61/49/960766149.db2.gz RJLQNCGVEDBTNI-KBUPBQIOSA-N 1 3 315.458 0.351 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001378510918 960905218 /nfs/dbraw/zinc/90/52/18/960905218.db2.gz IMAVUWQXXNKEGM-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001378072013 961371501 /nfs/dbraw/zinc/37/15/01/961371501.db2.gz KJTSFKQNCFFBCQ-DZGCQCFKSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001378072013 961371508 /nfs/dbraw/zinc/37/15/08/961371508.db2.gz KJTSFKQNCFFBCQ-DZGCQCFKSA-N 1 3 322.453 0.662 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001430212889 1013252822 /nfs/dbraw/zinc/25/28/22/1013252822.db2.gz VLXJJWNYDPGQNF-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001430212889 1013252828 /nfs/dbraw/zinc/25/28/28/1013252828.db2.gz VLXJJWNYDPGQNF-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001378788386 961479543 /nfs/dbraw/zinc/47/95/43/961479543.db2.gz KOKJVWWBEVVZGP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001378788386 961479552 /nfs/dbraw/zinc/47/95/52/961479552.db2.gz KOKJVWWBEVVZGP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001378810132 961521087 /nfs/dbraw/zinc/52/10/87/961521087.db2.gz OORHSKYXTOETLT-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001378810132 961521102 /nfs/dbraw/zinc/52/11/02/961521102.db2.gz OORHSKYXTOETLT-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378810720 961523349 /nfs/dbraw/zinc/52/33/49/961523349.db2.gz MSSJDXMKXYZBBP-UKRRQHHQSA-N 1 3 314.474 0.534 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)CC1CC1)N(C)C(=O)CN1CCCC1 ZINC001378851365 961604082 /nfs/dbraw/zinc/60/40/82/961604082.db2.gz JGOXNSAQZMTCOV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001378919764 961704260 /nfs/dbraw/zinc/70/42/60/961704260.db2.gz KBSLIBUWBCMESJ-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001379738943 961908327 /nfs/dbraw/zinc/90/83/27/961908327.db2.gz JMCZUVOEAJMVHT-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccnn3C)CCC2)CC[N@@H+]1C ZINC001447197724 1013306776 /nfs/dbraw/zinc/30/67/76/1013306776.db2.gz JUWUUAADKWIZRS-UKRRQHHQSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccnn3C)CCC2)CC[N@H+]1C ZINC001447197724 1013306783 /nfs/dbraw/zinc/30/67/83/1013306783.db2.gz JUWUUAADKWIZRS-UKRRQHHQSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C(C)(C)C ZINC001380097209 962665616 /nfs/dbraw/zinc/66/56/16/962665616.db2.gz WEZBRWJBOBKGMK-OLZOCXBDSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001380174630 962824149 /nfs/dbraw/zinc/82/41/49/962824149.db2.gz CDCFMRSQYMJJOK-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001379408275 962856403 /nfs/dbraw/zinc/85/64/03/962856403.db2.gz WRODOOVEGYFDDO-CQSZACIVSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001379432955 962912131 /nfs/dbraw/zinc/91/21/31/962912131.db2.gz LXSXVJPZKHEAFZ-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](CO)NCc2ccc(F)cc2)CC1 ZINC001379470907 962995932 /nfs/dbraw/zinc/99/59/32/962995932.db2.gz TWXXBQATDUJBQZ-MRXNPFEDSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCc2ccc(F)cc2)C1 ZINC001379530414 963136076 /nfs/dbraw/zinc/13/60/76/963136076.db2.gz SZZHTWGZZYOMDM-HIFRSBDPSA-N 1 3 309.385 0.344 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCc2ccc(F)cc2)C1 ZINC001379530414 963136090 /nfs/dbraw/zinc/13/60/90/963136090.db2.gz SZZHTWGZZYOMDM-HIFRSBDPSA-N 1 3 309.385 0.344 20 0 DCADHO Cn1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001380396336 963154783 /nfs/dbraw/zinc/15/47/83/963154783.db2.gz DWYFDYHQNKPAFL-RDJZCZTQSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001379548591 963168634 /nfs/dbraw/zinc/16/86/34/963168634.db2.gz BNYBNDNHMXAJSS-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001379551586 963172819 /nfs/dbraw/zinc/17/28/19/963172819.db2.gz ODNFIGFBBFBSOU-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001379607313 963262527 /nfs/dbraw/zinc/26/25/27/963262527.db2.gz VEYPHRDZHDLCGQ-DGCLKSJQSA-N 1 3 308.430 0.534 20 0 DCADHO COCC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001380559019 963360035 /nfs/dbraw/zinc/36/00/35/963360035.db2.gz ONAJHAWRBCTEMV-MRXNPFEDSA-N 1 3 315.458 0.164 20 0 DCADHO COCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001380559019 963360043 /nfs/dbraw/zinc/36/00/43/963360043.db2.gz ONAJHAWRBCTEMV-MRXNPFEDSA-N 1 3 315.458 0.164 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001379700835 963401857 /nfs/dbraw/zinc/40/18/57/963401857.db2.gz VSRIXQSNYOGBPX-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001380875959 963650288 /nfs/dbraw/zinc/65/02/88/963650288.db2.gz BAAMJECYQVDJFH-UHFFFAOYSA-N 1 3 319.453 0.890 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001380895431 963663821 /nfs/dbraw/zinc/66/38/21/963663821.db2.gz OAAKTUKOHNDWHA-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001380895431 963663826 /nfs/dbraw/zinc/66/38/26/963663826.db2.gz OAAKTUKOHNDWHA-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001381099383 963813090 /nfs/dbraw/zinc/81/30/90/963813090.db2.gz DTEOZOJCXYRBKK-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)COC)N(C)C ZINC001381269647 963931256 /nfs/dbraw/zinc/93/12/56/963931256.db2.gz RVWLOSHUBPMGPU-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)NCC(=O)N(C)C ZINC001381388890 964043978 /nfs/dbraw/zinc/04/39/78/964043978.db2.gz AVJSVWKFZVQCHL-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001381388961 964045403 /nfs/dbraw/zinc/04/54/03/964045403.db2.gz KYWNRKNMLFFRBE-CHWSQXEVSA-N 1 3 307.442 0.887 20 0 DCADHO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C1CCC1 ZINC001368909699 964119739 /nfs/dbraw/zinc/11/97/39/964119739.db2.gz UZWNWLLUMNCZJW-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCn1cccn1 ZINC001368956821 964188715 /nfs/dbraw/zinc/18/87/15/964188715.db2.gz IHJCYXFERLPBLX-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCn1cccn1 ZINC001368956821 964188723 /nfs/dbraw/zinc/18/87/23/964188723.db2.gz IHJCYXFERLPBLX-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001375274288 964195914 /nfs/dbraw/zinc/19/59/14/964195914.db2.gz VGCQRZBMVCWYDY-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001375274288 964195919 /nfs/dbraw/zinc/19/59/19/964195919.db2.gz VGCQRZBMVCWYDY-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO O=C(C[NH+]1CCCC1)NC1(CCO)CN(CC2CCCC2)C1 ZINC001369037267 964329689 /nfs/dbraw/zinc/32/96/89/964329689.db2.gz XKCMUWXFKZBNRM-UHFFFAOYSA-N 1 3 309.454 0.825 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC001375478704 964454006 /nfs/dbraw/zinc/45/40/06/964454006.db2.gz NUNJQGVLDADOSK-CHWSQXEVSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](NCCF)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001369157181 964469454 /nfs/dbraw/zinc/46/94/54/964469454.db2.gz SVTJMXXGXQGHLR-OCCSQVGLSA-N 1 3 301.406 0.503 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1nncn1C ZINC001369197411 964511754 /nfs/dbraw/zinc/51/17/54/964511754.db2.gz CUVFZUXSLWCIRL-UONOGXRCSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1nncn1C ZINC001369197411 964511761 /nfs/dbraw/zinc/51/17/61/964511761.db2.gz CUVFZUXSLWCIRL-UONOGXRCSA-N 1 3 322.457 0.387 20 0 DCADHO CCN1CC[C@@H](NC2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1=O ZINC001375528897 964518403 /nfs/dbraw/zinc/51/84/03/964518403.db2.gz FHMAJSWTMWPYQM-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001369208140 964526238 /nfs/dbraw/zinc/52/62/38/964526238.db2.gz XLDYOFILDDJKCT-ZIAGYGMSSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001369208140 964526243 /nfs/dbraw/zinc/52/62/43/964526243.db2.gz XLDYOFILDDJKCT-ZIAGYGMSSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCc2ccnn2C)CC1 ZINC001375553625 964544040 /nfs/dbraw/zinc/54/40/40/964544040.db2.gz DDIURGLRQHMMHY-UHFFFAOYSA-N 1 3 307.442 0.541 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC2CC[NH+](C)CC2)n1 ZINC001375606296 964598509 /nfs/dbraw/zinc/59/85/09/964598509.db2.gz ZUHSTSYCTOFQIM-UHFFFAOYSA-N 1 3 321.425 0.640 20 0 DCADHO CC(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001375632769 964637860 /nfs/dbraw/zinc/63/78/60/964637860.db2.gz NRCXZYHBYBQPDZ-HNNXBMFYSA-N 1 3 308.426 0.894 20 0 DCADHO CC(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001375632769 964637866 /nfs/dbraw/zinc/63/78/66/964637866.db2.gz NRCXZYHBYBQPDZ-HNNXBMFYSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001369288072 964658412 /nfs/dbraw/zinc/65/84/12/964658412.db2.gz PCVWGLNWQUADIA-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001369288072 964658416 /nfs/dbraw/zinc/65/84/16/964658416.db2.gz PCVWGLNWQUADIA-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCCNC1=O ZINC001369298232 964679647 /nfs/dbraw/zinc/67/96/47/964679647.db2.gz RTWWQSUZYHIPPF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCCNC1=O ZINC001369298232 964679658 /nfs/dbraw/zinc/67/96/58/964679658.db2.gz RTWWQSUZYHIPPF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375767715 964813648 /nfs/dbraw/zinc/81/36/48/964813648.db2.gz QOSMDZKYDCGQLY-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375767715 964813655 /nfs/dbraw/zinc/81/36/55/964813655.db2.gz QOSMDZKYDCGQLY-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001375767867 964816753 /nfs/dbraw/zinc/81/67/53/964816753.db2.gz IZYVIHULTQGDSI-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369394993 964891727 /nfs/dbraw/zinc/89/17/27/964891727.db2.gz CCFXZYSXVBKRDU-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001369434685 964968943 /nfs/dbraw/zinc/96/89/43/964968943.db2.gz GAGCAYGLMOWARE-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC2CCC2)C1 ZINC001369508356 965112243 /nfs/dbraw/zinc/11/22/43/965112243.db2.gz UUSCEGQHBYRXNK-ZBFHGGJFSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC2CCC2)C1 ZINC001369508356 965112248 /nfs/dbraw/zinc/11/22/48/965112248.db2.gz UUSCEGQHBYRXNK-ZBFHGGJFSA-N 1 3 311.470 0.879 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001374215263 965142444 /nfs/dbraw/zinc/14/24/44/965142444.db2.gz DTAXVQZRPKFHDQ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001374215263 965142448 /nfs/dbraw/zinc/14/24/48/965142448.db2.gz DTAXVQZRPKFHDQ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001374214026 965142890 /nfs/dbraw/zinc/14/28/90/965142890.db2.gz ADMWPZUGZXNDBZ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001374214026 965142899 /nfs/dbraw/zinc/14/28/99/965142899.db2.gz ADMWPZUGZXNDBZ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)[NH+](C)C ZINC001369553742 965166973 /nfs/dbraw/zinc/16/69/73/965166973.db2.gz LYIDSNZVAUDMCC-WCQYABFASA-N 1 3 300.447 0.178 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001374280152 965219765 /nfs/dbraw/zinc/21/97/65/965219765.db2.gz LLVNMGQHKVIXLD-GFCCVEGCSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374289107 965229729 /nfs/dbraw/zinc/22/97/29/965229729.db2.gz UEGHAMYMSCUKGC-OLZOCXBDSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001374421025 965368101 /nfs/dbraw/zinc/36/81/01/965368101.db2.gz YMYSIIRIFMXWIZ-BMFZPTHFSA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001374421025 965368117 /nfs/dbraw/zinc/36/81/17/965368117.db2.gz YMYSIIRIFMXWIZ-BMFZPTHFSA-N 1 3 321.469 0.991 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)c1 ZINC001376272915 965466479 /nfs/dbraw/zinc/46/64/79/965466479.db2.gz HESHNPKKGDKZAS-HNNXBMFYSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@H](O)CCCN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001369850189 965486718 /nfs/dbraw/zinc/48/67/18/965486718.db2.gz YNPCJQFOGPLOPM-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001376330004 965530373 /nfs/dbraw/zinc/53/03/73/965530373.db2.gz KLDUECCTOJYRQC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001376330004 965530382 /nfs/dbraw/zinc/53/03/82/965530382.db2.gz KLDUECCTOJYRQC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1)N(C)C ZINC001376335453 965536836 /nfs/dbraw/zinc/53/68/36/965536836.db2.gz YJAJGJFJKMLGMF-SNPRPXQTSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(=O)NC1CC1 ZINC001376370372 965582169 /nfs/dbraw/zinc/58/21/69/965582169.db2.gz DTLLJYAPUBTHDC-UBHSHLNASA-N 1 3 322.453 0.375 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2)CCC1 ZINC001374614726 965640371 /nfs/dbraw/zinc/64/03/71/965640371.db2.gz HRNKDXDZIJLGQU-HNNXBMFYSA-N 1 3 305.422 0.738 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN1CCC([NH2+]CC2CC2)CC1 ZINC001376446028 965665103 /nfs/dbraw/zinc/66/51/03/965665103.db2.gz XQPUUOCKQXOICH-UHFFFAOYSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2ccccn2)CC[N@@H+]1C ZINC001374640655 965688238 /nfs/dbraw/zinc/68/82/38/965688238.db2.gz YKUFBSOXZWBHLC-DZKIICNBSA-N 1 3 320.437 0.379 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2ccccn2)CC[N@H+]1C ZINC001374640655 965688242 /nfs/dbraw/zinc/68/82/42/965688242.db2.gz YKUFBSOXZWBHLC-DZKIICNBSA-N 1 3 320.437 0.379 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001370018034 965696681 /nfs/dbraw/zinc/69/66/81/965696681.db2.gz OAGVMQLPCMEQKV-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001376474696 965705966 /nfs/dbraw/zinc/70/59/66/965705966.db2.gz DWUXJDJABCWWOZ-BYNSBNAKSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001374662215 965718398 /nfs/dbraw/zinc/71/83/98/965718398.db2.gz UEUPXLZIRZQDIJ-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001374662215 965718402 /nfs/dbraw/zinc/71/84/02/965718402.db2.gz UEUPXLZIRZQDIJ-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001376486739 965724127 /nfs/dbraw/zinc/72/41/27/965724127.db2.gz HATNHIRHCZTXTJ-ZENOOKHLSA-N 1 3 324.469 0.430 20 0 DCADHO O=C(N[C@@]1(CO)CCCN(CCCF)C1)C12CC[NH+](CC1)C2 ZINC001376494818 965736332 /nfs/dbraw/zinc/73/63/32/965736332.db2.gz BPGCNQYNPFYABP-INIZCTEOSA-N 1 3 313.417 0.385 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001376496515 965740083 /nfs/dbraw/zinc/74/00/83/965740083.db2.gz ZBAUUARWZQCZEN-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)NC1CC1)C(=O)C1(N(C)C)CCC1 ZINC001374711580 965796780 /nfs/dbraw/zinc/79/67/80/965796780.db2.gz GUMWYTTXJNFOGU-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001374719049 965809407 /nfs/dbraw/zinc/80/94/07/965809407.db2.gz SHBIMHBLNDMAOU-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001374719049 965809415 /nfs/dbraw/zinc/80/94/15/965809415.db2.gz SHBIMHBLNDMAOU-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001376567774 965839477 /nfs/dbraw/zinc/83/94/77/965839477.db2.gz IXQRYQFQMUEGKD-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001370178608 965861224 /nfs/dbraw/zinc/86/12/24/965861224.db2.gz AVFYRCYXTCQNBQ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001376612288 965891888 /nfs/dbraw/zinc/89/18/88/965891888.db2.gz PPOPVQSFDMLQOB-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001376612288 965891905 /nfs/dbraw/zinc/89/19/05/965891905.db2.gz PPOPVQSFDMLQOB-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001374815277 965967233 /nfs/dbraw/zinc/96/72/33/965967233.db2.gz XZJXOXIKYIVQOK-CYBMUJFWSA-N 1 3 320.437 0.245 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001370368122 966052773 /nfs/dbraw/zinc/05/27/73/966052773.db2.gz UZNYEDQSOLIMNG-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001370368122 966052782 /nfs/dbraw/zinc/05/27/82/966052782.db2.gz UZNYEDQSOLIMNG-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374903444 966117865 /nfs/dbraw/zinc/11/78/65/966117865.db2.gz AOIAFZVXWMKVDI-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374977941 966191485 /nfs/dbraw/zinc/19/14/85/966191485.db2.gz SVAURNVZRIQUNO-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374977941 966191492 /nfs/dbraw/zinc/19/14/92/966191492.db2.gz SVAURNVZRIQUNO-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001375101699 966352937 /nfs/dbraw/zinc/35/29/37/966352937.db2.gz PQZQIHLQDHCTJV-CQSZACIVSA-N 1 3 309.458 0.888 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001370710085 966404119 /nfs/dbraw/zinc/40/41/19/966404119.db2.gz GRECXLXBVFOSTB-VNHYZAJKSA-N 1 3 307.442 0.743 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001381446909 966426538 /nfs/dbraw/zinc/42/65/38/966426538.db2.gz GYFMRONWJMCJOG-ZIAGYGMSSA-N 1 3 322.453 0.708 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001370966763 966626893 /nfs/dbraw/zinc/62/68/93/966626893.db2.gz RQLMIUWFBJUQPD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001370966763 966626901 /nfs/dbraw/zinc/62/69/01/966626901.db2.gz RQLMIUWFBJUQPD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCCC1 ZINC001371177384 966785209 /nfs/dbraw/zinc/78/52/09/966785209.db2.gz IWTIBERICXTONF-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001381965275 966823465 /nfs/dbraw/zinc/82/34/65/966823465.db2.gz DDMZPOIKFZJRKO-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001381980189 966839633 /nfs/dbraw/zinc/83/96/33/966839633.db2.gz FOPMWQNHHDKSCO-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001381980189 966839636 /nfs/dbraw/zinc/83/96/36/966839636.db2.gz FOPMWQNHHDKSCO-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCC[C@@H](N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001371261891 966856176 /nfs/dbraw/zinc/85/61/76/966856176.db2.gz MUGHYOJAKNGNPG-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001371308208 966890365 /nfs/dbraw/zinc/89/03/65/966890365.db2.gz PLYZUEUPWAFUPT-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N(C)CC1CC1 ZINC001382060090 966901582 /nfs/dbraw/zinc/90/15/82/966901582.db2.gz TZMSTOAAMBYXIR-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001382086606 966927368 /nfs/dbraw/zinc/92/73/68/966927368.db2.gz AWYIJHIIWSXQCG-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCCNC1=O ZINC001371378878 966945514 /nfs/dbraw/zinc/94/55/14/966945514.db2.gz DAVAIHAGGMXVLJ-JSGCOSHPSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NC/C=C/Cl ZINC001371397635 966963995 /nfs/dbraw/zinc/96/39/95/966963995.db2.gz WRORZMROOWJHCP-MJRJWQSSSA-N 1 3 303.834 0.944 20 0 DCADHO CCN(CC)C(=O)[C@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001371418438 966976704 /nfs/dbraw/zinc/97/67/04/966976704.db2.gz METCQGWKMHQAGK-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001371433732 966988354 /nfs/dbraw/zinc/98/83/54/966988354.db2.gz VQJBPAISVYAUDG-QWHCGFSZSA-N 1 3 308.430 0.202 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001382166449 966998289 /nfs/dbraw/zinc/99/82/89/966998289.db2.gz FNDDTNKXYJXRFO-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001371464451 967012232 /nfs/dbraw/zinc/01/22/32/967012232.db2.gz ATGOBNUNKDPNGT-JSGCOSHPSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001371464451 967012242 /nfs/dbraw/zinc/01/22/42/967012242.db2.gz ATGOBNUNKDPNGT-JSGCOSHPSA-N 1 3 306.410 0.636 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001382203619 967061665 /nfs/dbraw/zinc/06/16/65/967061665.db2.gz DASWEXUSQFNJLW-DJIMGWMZSA-N 1 3 319.449 0.902 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001382203619 967061672 /nfs/dbraw/zinc/06/16/72/967061672.db2.gz DASWEXUSQFNJLW-DJIMGWMZSA-N 1 3 319.449 0.902 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001371538603 967096508 /nfs/dbraw/zinc/09/65/08/967096508.db2.gz JSDQELSWVZCTOF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001371538603 967096517 /nfs/dbraw/zinc/09/65/17/967096517.db2.gz JSDQELSWVZCTOF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(=O)N(C)C ZINC001371543454 967104282 /nfs/dbraw/zinc/10/42/82/967104282.db2.gz JQKUXFZRJZBLPR-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)NCc1cccc(Cl)c1 ZINC001382240201 967110775 /nfs/dbraw/zinc/11/07/75/967110775.db2.gz WJYGUFXENDDAFK-AWEZNQCLSA-N 1 3 313.829 0.858 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]CC1CC2(CCC2)C1 ZINC001382285558 967166941 /nfs/dbraw/zinc/16/69/41/967166941.db2.gz PGDANEJUYIBLRL-OAHLLOKOSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)CN1C(=O)CN1CCCC1 ZINC001382317657 967210337 /nfs/dbraw/zinc/21/03/37/967210337.db2.gz UDZUJNWSLXSBKF-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC001382378876 967292427 /nfs/dbraw/zinc/29/24/27/967292427.db2.gz PJFKPODEHMXIDH-CYBMUJFWSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C(C)(C)C1 ZINC001382378876 967292433 /nfs/dbraw/zinc/29/24/33/967292433.db2.gz PJFKPODEHMXIDH-CYBMUJFWSA-N 1 3 322.457 0.782 20 0 DCADHO COc1cc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001371878176 967414282 /nfs/dbraw/zinc/41/42/82/967414282.db2.gz JLFSMYUFLCVVGN-RYUDHWBXSA-N 1 3 310.398 0.619 20 0 DCADHO COc1cc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001371878176 967414288 /nfs/dbraw/zinc/41/42/88/967414288.db2.gz JLFSMYUFLCVVGN-RYUDHWBXSA-N 1 3 310.398 0.619 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC(C)C)C1 ZINC001382580675 967516570 /nfs/dbraw/zinc/51/65/70/967516570.db2.gz BSAXKQVMZLVQKR-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)CCCN2CCCC2=O)C1 ZINC001372100474 967647403 /nfs/dbraw/zinc/64/74/03/967647403.db2.gz FSMFIIRFUHJUOZ-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)CCCN2CCCC2=O)C1 ZINC001372100474 967647407 /nfs/dbraw/zinc/64/74/07/967647407.db2.gz FSMFIIRFUHJUOZ-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C[C@H]1CCc2ncnn21)[NH+](C)C ZINC001372113007 967657591 /nfs/dbraw/zinc/65/75/91/967657591.db2.gz LJJNTVFHROYVHS-UKRRQHHQSA-N 1 3 322.457 0.400 20 0 DCADHO C[NH+](C)CCC(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC001372126733 967668543 /nfs/dbraw/zinc/66/85/43/967668543.db2.gz NHNPDHAZANNPQX-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)CN1CCC[C@@H]1C ZINC001448087258 1013744115 /nfs/dbraw/zinc/74/41/15/1013744115.db2.gz FGFZFMVTXBDSBZ-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001372987462 968600438 /nfs/dbraw/zinc/60/04/38/968600438.db2.gz UMVCPBKBRWLKGJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001372987462 968600445 /nfs/dbraw/zinc/60/04/45/968600445.db2.gz UMVCPBKBRWLKGJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001372989924 968602804 /nfs/dbraw/zinc/60/28/04/968602804.db2.gz MNLBUYSKRUQRBT-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001373286999 968900828 /nfs/dbraw/zinc/90/08/28/968900828.db2.gz HFBBYRSDBWGKEA-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001373286999 968900829 /nfs/dbraw/zinc/90/08/29/968900829.db2.gz HFBBYRSDBWGKEA-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001373332866 968947779 /nfs/dbraw/zinc/94/77/79/968947779.db2.gz CNYDQNZAYOKJQH-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001373332866 968947787 /nfs/dbraw/zinc/94/77/87/968947787.db2.gz CNYDQNZAYOKJQH-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001373339616 968952999 /nfs/dbraw/zinc/95/29/99/968952999.db2.gz CQWNVILQCDFPKQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001448716661 1014008724 /nfs/dbraw/zinc/00/87/24/1014008724.db2.gz CFOPUGHQJVUBJC-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001448973100 1014113672 /nfs/dbraw/zinc/11/36/72/1014113672.db2.gz DRTYNZJRVGXDJH-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)C[C@H]1C ZINC001449021214 1014138945 /nfs/dbraw/zinc/13/89/45/1014138945.db2.gz QSSBWRJSMBUJLW-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)(C)[C@@H](N)C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549724831 1014425502 /nfs/dbraw/zinc/42/55/02/1014425502.db2.gz HPYBTAQNCJKKBD-FZMZJTMJSA-N 1 3 305.426 0.609 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549730993 1014430773 /nfs/dbraw/zinc/43/07/73/1014430773.db2.gz LJZIGHJSVIPOKH-CZUORRHYSA-N 1 3 310.442 0.090 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)C[C@@H]2[NH3+])c1 ZINC001549734477 1014432327 /nfs/dbraw/zinc/43/23/27/1014432327.db2.gz DANDHSBYVFPUJF-ILXRZTDVSA-N 1 3 319.453 0.971 20 0 DCADHO CN1CC[C@](O)(CNC(=O)Nc2ccc([C@@H]3C[C@@H]3[NH3+])cc2)C1 ZINC001549783912 1014459536 /nfs/dbraw/zinc/45/95/36/1014459536.db2.gz JKKVBXSWRCDDAT-DZKIICNBSA-N 1 3 304.394 0.689 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090086 1014560574 /nfs/dbraw/zinc/56/05/74/1014560574.db2.gz NAUUORCOPLMMMM-VXGBXAGGSA-N 1 3 305.369 0.586 20 0 DCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc2c1CNC2 ZINC001550088884 1014560977 /nfs/dbraw/zinc/56/09/77/1014560977.db2.gz ZFIXHOMCCMJFKB-ZDUSSCGKSA-N 1 3 312.377 0.346 20 0 DCADHO NCc1cn([C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)nn1 ZINC001550095192 1014564667 /nfs/dbraw/zinc/56/46/67/1014564667.db2.gz BYELLGVSOPTOFR-AWEZNQCLSA-N 1 3 318.425 0.386 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551465537 1015101284 /nfs/dbraw/zinc/10/12/84/1015101284.db2.gz MSKHEKGFMZZKOC-KGLIPLIRSA-N 1 3 322.453 0.681 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)N1CCN3C[C@H](O)C[C@H]3C1)CC2 ZINC001551556730 1015137083 /nfs/dbraw/zinc/13/70/83/1015137083.db2.gz TZNAVXRZZZXKHI-ARFQPEPTSA-N 1 3 308.426 0.107 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001384463912 985601894 /nfs/dbraw/zinc/60/18/94/985601894.db2.gz UYOLLKWZVLKWFT-RUXDESIVSA-N 1 3 312.458 0.384 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@H]1CN3CCC[C@H]3CO1)CC2 ZINC001551581282 1015146293 /nfs/dbraw/zinc/14/62/93/1015146293.db2.gz MPZKVQBSGABPBX-AUUXXJPVSA-N 1 3 322.453 0.809 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1C ZINC001384738577 985781736 /nfs/dbraw/zinc/78/17/36/985781736.db2.gz GHFGQUUGSROODE-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H]1C ZINC001384738577 985781740 /nfs/dbraw/zinc/78/17/40/985781740.db2.gz GHFGQUUGSROODE-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001386005596 986749279 /nfs/dbraw/zinc/74/92/79/986749279.db2.gz DFLGWGOSTOZSLG-MELADBBJSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001386005596 986749285 /nfs/dbraw/zinc/74/92/85/986749285.db2.gz DFLGWGOSTOZSLG-MELADBBJSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001386315426 987066504 /nfs/dbraw/zinc/06/65/04/987066504.db2.gz QTCDUYKZURXQTN-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001386315426 987066510 /nfs/dbraw/zinc/06/65/10/987066510.db2.gz QTCDUYKZURXQTN-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001386348218 987098657 /nfs/dbraw/zinc/09/86/57/987098657.db2.gz ROKGELHUADPHIP-VNHYZAJKSA-N 1 3 312.458 0.288 20 0 DCADHO CN(C)C1(C(=O)NCCN(C)C(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001386945574 987520614 /nfs/dbraw/zinc/52/06/14/987520614.db2.gz SRKSGRXYZJFBJR-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)N(C)C)cc1 ZINC001552200007 1015319425 /nfs/dbraw/zinc/31/94/25/1015319425.db2.gz KQJOJIFBGUINNX-RYRKJORJSA-N 1 3 317.433 0.950 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001388184655 988123571 /nfs/dbraw/zinc/12/35/71/988123571.db2.gz GMYVFSRVQKAJHH-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1)CC(C)(C)C ZINC001387818941 988180869 /nfs/dbraw/zinc/18/08/69/988180869.db2.gz MKKKFJXMSUYIIV-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001388275524 988182745 /nfs/dbraw/zinc/18/27/45/988182745.db2.gz IXEINSLDSWJINI-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001387869418 988237094 /nfs/dbraw/zinc/23/70/94/988237094.db2.gz MPEQKVQDCINHRW-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001387869418 988237100 /nfs/dbraw/zinc/23/71/00/988237100.db2.gz MPEQKVQDCINHRW-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001387906101 988268144 /nfs/dbraw/zinc/26/81/44/988268144.db2.gz BEUYVWQLUTXHBA-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001387906101 988268148 /nfs/dbraw/zinc/26/81/48/988268148.db2.gz BEUYVWQLUTXHBA-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001387924449 988289777 /nfs/dbraw/zinc/28/97/77/988289777.db2.gz DPKXQJKKAKTYNB-OAHLLOKOSA-N 1 3 312.458 0.099 20 0 DCADHO CN1CCC[C@H]1C(=O)N(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001388676093 988503664 /nfs/dbraw/zinc/50/36/64/988503664.db2.gz NWPKCOUVMMGMHA-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001388723008 988539347 /nfs/dbraw/zinc/53/93/47/988539347.db2.gz BZXZGFZLNXQPOD-ZQDZILKHSA-N 1 3 324.469 0.288 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001388748747 988557738 /nfs/dbraw/zinc/55/77/38/988557738.db2.gz ZTBNYMOYRYAVBS-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001388760981 988564414 /nfs/dbraw/zinc/56/44/14/988564414.db2.gz IBACLQGZMPOPIM-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001389432612 989238719 /nfs/dbraw/zinc/23/87/19/989238719.db2.gz CWQOYGQMFVKESF-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001389432612 989238726 /nfs/dbraw/zinc/23/87/26/989238726.db2.gz CWQOYGQMFVKESF-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001389672531 989480470 /nfs/dbraw/zinc/48/04/70/989480470.db2.gz TXUQLLREOZKENU-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001389783723 989570822 /nfs/dbraw/zinc/57/08/22/989570822.db2.gz PEWBTCCHIUQZLT-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001389783723 989570827 /nfs/dbraw/zinc/57/08/27/989570827.db2.gz PEWBTCCHIUQZLT-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO [NH3+][C@H]1CCCC[C@H]1n1cc(C(=O)NCCN2CCCC2)nn1 ZINC001552690879 1015492915 /nfs/dbraw/zinc/49/29/15/1015492915.db2.gz LFYSYKDWCMABKR-GXTWGEPZSA-N 1 3 306.414 0.546 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001389884365 989662354 /nfs/dbraw/zinc/66/23/54/989662354.db2.gz KKBVGCTYPRCHBV-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001389984553 989729548 /nfs/dbraw/zinc/72/95/48/989729548.db2.gz GPCVVPJKQUXHID-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001389984553 989729553 /nfs/dbraw/zinc/72/95/53/989729553.db2.gz GPCVVPJKQUXHID-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@@H](N2CCC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001390075572 989796766 /nfs/dbraw/zinc/79/67/66/989796766.db2.gz YTEFGDBDDBAUIO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCN([C@H]2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001552766691 1015519762 /nfs/dbraw/zinc/51/97/62/1015519762.db2.gz HERCWESWODRSQC-CABCVRRESA-N 1 3 309.458 0.112 20 0 DCADHO CN1CCN([C@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001552766691 1015519770 /nfs/dbraw/zinc/51/97/70/1015519770.db2.gz HERCWESWODRSQC-CABCVRRESA-N 1 3 309.458 0.112 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCCC1 ZINC001390466096 990126646 /nfs/dbraw/zinc/12/66/46/990126646.db2.gz SSKQXFRMLVHPIZ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001390530803 990177836 /nfs/dbraw/zinc/17/78/36/990177836.db2.gz DEDIJUVHOLRHRZ-LBPRGKRZSA-N 1 3 308.430 0.583 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001390550012 990191894 /nfs/dbraw/zinc/19/18/94/990191894.db2.gz YIKFSODKAIQTSG-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001390572796 990209929 /nfs/dbraw/zinc/20/99/29/990209929.db2.gz GIMYQFUDNKGIDE-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001390610761 990243547 /nfs/dbraw/zinc/24/35/47/990243547.db2.gz JESXOUCDPDCDGJ-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001390843715 990430450 /nfs/dbraw/zinc/43/04/50/990430450.db2.gz HTSNEDABDFJCDD-CQSZACIVSA-N 1 3 320.437 0.275 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001390843715 990430456 /nfs/dbraw/zinc/43/04/56/990430456.db2.gz HTSNEDABDFJCDD-CQSZACIVSA-N 1 3 320.437 0.275 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001552956560 1015574086 /nfs/dbraw/zinc/57/40/86/1015574086.db2.gz REHMNFXINROUOE-OWCLPIDISA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552956663 1015574304 /nfs/dbraw/zinc/57/43/04/1015574304.db2.gz UFKULUVJRZJCRG-HLLBOEOZSA-N 1 3 322.453 0.824 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001391112580 990598022 /nfs/dbraw/zinc/59/80/22/990598022.db2.gz OQAPPGSVKLJHOG-HOTGVXAUSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001391112580 990598029 /nfs/dbraw/zinc/59/80/29/990598029.db2.gz OQAPPGSVKLJHOG-HOTGVXAUSA-N 1 3 321.469 0.907 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CCC[NH+]1CCCCC1 ZINC001391215946 990676656 /nfs/dbraw/zinc/67/66/56/990676656.db2.gz BKWFBGGOCAVZLC-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(CCN[C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001391219718 990679845 /nfs/dbraw/zinc/67/98/45/990679845.db2.gz LRLQEUSUPYJJJK-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN[C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391219718 990679850 /nfs/dbraw/zinc/67/98/50/990679850.db2.gz LRLQEUSUPYJJJK-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)CN1CCC[C@H]1C ZINC001391332664 990754024 /nfs/dbraw/zinc/75/40/24/990754024.db2.gz NQNAPNZPDATFON-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391355632 990775896 /nfs/dbraw/zinc/77/58/96/990775896.db2.gz OQXUOGQMQGIDCN-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391355632 990775900 /nfs/dbraw/zinc/77/59/00/990775900.db2.gz OQXUOGQMQGIDCN-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001391698357 991110018 /nfs/dbraw/zinc/11/00/18/991110018.db2.gz UOIICOBOZLCHDR-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001391724692 991137565 /nfs/dbraw/zinc/13/75/65/991137565.db2.gz ASHIXMWGDKERPO-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1ccnn1C ZINC001391742210 991150426 /nfs/dbraw/zinc/15/04/26/991150426.db2.gz ODMNLUYFDPUKHR-ZDUSSCGKSA-N 1 3 318.425 0.721 20 0 DCADHO CN(CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001391812540 991197146 /nfs/dbraw/zinc/19/71/46/991197146.db2.gz LEOGGYRQODZQFT-INIZCTEOSA-N 1 3 312.458 0.324 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)nn1C ZINC001391936668 991306886 /nfs/dbraw/zinc/30/68/86/991306886.db2.gz PCYCDOPTIBVMSQ-KGLIPLIRSA-N 1 3 321.469 0.912 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392070269 991461098 /nfs/dbraw/zinc/46/10/98/991461098.db2.gz FXVILPHTZLVWIE-OLZOCXBDSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392134856 991532508 /nfs/dbraw/zinc/53/25/08/991532508.db2.gz PRFHPTHHGBAZJV-AAEUAGOBSA-N 1 3 320.441 0.570 20 0 DCADHO C[C@@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392134856 991532517 /nfs/dbraw/zinc/53/25/17/991532517.db2.gz PRFHPTHHGBAZJV-AAEUAGOBSA-N 1 3 320.441 0.570 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CCCCC1 ZINC001392177174 991576103 /nfs/dbraw/zinc/57/61/03/991576103.db2.gz ORVASCMTGBBGDC-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553220216 1015644771 /nfs/dbraw/zinc/64/47/71/1015644771.db2.gz IKPSABPICZYACT-PMPSAXMXSA-N 1 3 324.469 0.711 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553220216 1015644774 /nfs/dbraw/zinc/64/47/74/1015644774.db2.gz IKPSABPICZYACT-PMPSAXMXSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001392450843 991943947 /nfs/dbraw/zinc/94/39/47/991943947.db2.gz YDYNIJNRAHXCGI-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001392489868 991998123 /nfs/dbraw/zinc/99/81/23/991998123.db2.gz YJSOWKZPHKCWON-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001392489868 991998133 /nfs/dbraw/zinc/99/81/33/991998133.db2.gz YJSOWKZPHKCWON-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001392536377 992060120 /nfs/dbraw/zinc/06/01/20/992060120.db2.gz JMSGWFTZRBWTBF-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001392724047 992320998 /nfs/dbraw/zinc/32/09/98/992320998.db2.gz FCSCQYYMTORIAV-KBPBESRZSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001392724047 992321005 /nfs/dbraw/zinc/32/10/05/992321005.db2.gz FCSCQYYMTORIAV-KBPBESRZSA-N 1 3 322.457 0.542 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001393033513 992638210 /nfs/dbraw/zinc/63/82/10/992638210.db2.gz GWDXGMCSQLUUBW-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001393042045 992644987 /nfs/dbraw/zinc/64/49/87/992644987.db2.gz XGQDKVOGQFPBRU-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001393053188 992652799 /nfs/dbraw/zinc/65/27/99/992652799.db2.gz UDYITWOSQQJZJB-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCc1ccn(C)n1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393386405 992935512 /nfs/dbraw/zinc/93/55/12/992935512.db2.gz NJVTYFOOZSGZCA-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001393477621 993021169 /nfs/dbraw/zinc/02/11/69/993021169.db2.gz MTRILZAOPJZDIN-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001393477621 993021174 /nfs/dbraw/zinc/02/11/74/993021174.db2.gz MTRILZAOPJZDIN-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CNCC(=O)N1CCC1 ZINC001393518712 993049315 /nfs/dbraw/zinc/04/93/15/993049315.db2.gz MXOBYANRLRNRJQ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NCC)C1 ZINC001393739802 993214537 /nfs/dbraw/zinc/21/45/37/993214537.db2.gz AGMCNCXKGAUDOJ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NCC)C1 ZINC001393739802 993214550 /nfs/dbraw/zinc/21/45/50/993214550.db2.gz AGMCNCXKGAUDOJ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001393746569 993219855 /nfs/dbraw/zinc/21/98/55/993219855.db2.gz KLNSFCACGRGHQD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCn1cncn1 ZINC001393781180 993248389 /nfs/dbraw/zinc/24/83/89/993248389.db2.gz FMPZLIPEFPNHKI-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCN1CCCC1=O ZINC001393827631 993282735 /nfs/dbraw/zinc/28/27/35/993282735.db2.gz GTWNAWYUYQLGKV-LBPRGKRZSA-N 1 3 321.425 0.367 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001394067861 993452631 /nfs/dbraw/zinc/45/26/31/993452631.db2.gz PWGVNPKRBMMGFQ-DZGCQCFKSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001394067861 993452636 /nfs/dbraw/zinc/45/26/36/993452636.db2.gz PWGVNPKRBMMGFQ-DZGCQCFKSA-N 1 3 324.469 0.194 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001394132858 993502077 /nfs/dbraw/zinc/50/20/77/993502077.db2.gz DCCZIXZYFJALPX-CVEARBPZSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001394132858 993502080 /nfs/dbraw/zinc/50/20/80/993502080.db2.gz DCCZIXZYFJALPX-CVEARBPZSA-N 1 3 321.469 0.888 20 0 DCADHO COC[C@@H](O)CN1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001394293892 993603220 /nfs/dbraw/zinc/60/32/20/993603220.db2.gz ZAZLPWROGGRPCY-UONOGXRCSA-N 1 3 315.458 0.162 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001394384190 993667576 /nfs/dbraw/zinc/66/75/76/993667576.db2.gz JAMPDKKOLKDCHY-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001394384190 993667579 /nfs/dbraw/zinc/66/75/79/993667579.db2.gz JAMPDKKOLKDCHY-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001394395386 993677951 /nfs/dbraw/zinc/67/79/51/993677951.db2.gz YWBUPFBTCIHFHT-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001394458179 993723852 /nfs/dbraw/zinc/72/38/52/993723852.db2.gz CLFHDMJWGATFQD-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCn1cncn1 ZINC001394531457 993801607 /nfs/dbraw/zinc/80/16/07/993801607.db2.gz WOJYICWDLOTWCV-CQSZACIVSA-N 1 3 324.473 0.693 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001394559214 993828461 /nfs/dbraw/zinc/82/84/61/993828461.db2.gz WRPVFKZOHALOED-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001394559214 993828471 /nfs/dbraw/zinc/82/84/71/993828471.db2.gz WRPVFKZOHALOED-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001399912051 993917657 /nfs/dbraw/zinc/91/76/57/993917657.db2.gz LURRALNLURPBOE-KFWWJZLASA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001399912051 993917672 /nfs/dbraw/zinc/91/76/72/993917672.db2.gz LURRALNLURPBOE-KFWWJZLASA-N 1 3 315.458 0.018 20 0 DCADHO CC(C)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001394664049 993988780 /nfs/dbraw/zinc/98/87/80/993988780.db2.gz AVCLPHWPZZKXRN-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)[C@H]1C ZINC001394671935 994002828 /nfs/dbraw/zinc/00/28/28/994002828.db2.gz IWJICVGZLQHBGU-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCC(=O)NC)C(C)(C)C1 ZINC001394722953 994056193 /nfs/dbraw/zinc/05/61/93/994056193.db2.gz WMWILWQJDUOVLE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCC(=O)NC)C(C)(C)C1 ZINC001394722953 994056202 /nfs/dbraw/zinc/05/62/02/994056202.db2.gz WMWILWQJDUOVLE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001394726518 994063169 /nfs/dbraw/zinc/06/31/69/994063169.db2.gz PBMXJOURBTWXEI-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@H]2CCNC2=O)C(C)(C)C)CCC1 ZINC001394821854 994185380 /nfs/dbraw/zinc/18/53/80/994185380.db2.gz MMLZPUWEECDFQP-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C(C)(C)C)N(C)C ZINC001394838182 994198527 /nfs/dbraw/zinc/19/85/27/994198527.db2.gz VVDSTJNPAMUGQP-STQMWFEESA-N 1 3 314.474 0.535 20 0 DCADHO CCn1nncc1CNC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001394860651 994225670 /nfs/dbraw/zinc/22/56/70/994225670.db2.gz VGSBKNRKEOEGCK-UHFFFAOYSA-N 1 3 308.430 0.329 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001400182706 994247604 /nfs/dbraw/zinc/24/76/04/994247604.db2.gz HDMGVWXCDRXFIS-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001400182706 994247614 /nfs/dbraw/zinc/24/76/14/994247614.db2.gz HDMGVWXCDRXFIS-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001400300110 994397144 /nfs/dbraw/zinc/39/71/44/994397144.db2.gz KSCGMGRXJCFAGF-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001400300110 994397147 /nfs/dbraw/zinc/39/71/47/994397147.db2.gz KSCGMGRXJCFAGF-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CN1CC[C@@H](C)C1 ZINC001400496838 994586761 /nfs/dbraw/zinc/58/67/61/994586761.db2.gz CFYLAGPMOKNTRC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CN1CC[C@@H](C)C1 ZINC001400496838 994586767 /nfs/dbraw/zinc/58/67/67/994586767.db2.gz CFYLAGPMOKNTRC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001400863012 995018635 /nfs/dbraw/zinc/01/86/35/995018635.db2.gz LEEAVDYMZWQLHT-DZGCQCFKSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001400863012 995018641 /nfs/dbraw/zinc/01/86/41/995018641.db2.gz LEEAVDYMZWQLHT-DZGCQCFKSA-N 1 3 324.469 0.753 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001397141991 995821921 /nfs/dbraw/zinc/82/19/21/995821921.db2.gz GPPSHUVUSOGLCY-HDJSIYSDSA-N 1 3 316.409 0.642 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001397159495 995833449 /nfs/dbraw/zinc/83/34/49/995833449.db2.gz GCFZXSCVPFRWKT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NC(C)(C)C ZINC001397470814 996018560 /nfs/dbraw/zinc/01/85/60/996018560.db2.gz IQJQHJKYLBAXAJ-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1cncn1C ZINC001507128269 1016008061 /nfs/dbraw/zinc/00/80/61/1016008061.db2.gz UGXWZGPSKYIGJE-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCc1cncn1C ZINC001507128269 1016008072 /nfs/dbraw/zinc/00/80/72/1016008072.db2.gz UGXWZGPSKYIGJE-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001397988154 996296888 /nfs/dbraw/zinc/29/68/88/996296888.db2.gz WAUGJLUWDWQKAO-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)N[C@@H](C)C(N)=O ZINC001507144800 1016028575 /nfs/dbraw/zinc/02/85/75/1016028575.db2.gz PODIUKQKYLYDSY-OLZOCXBDSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2cnn(C)c2)C2CC2)C1 ZINC001398461477 996528971 /nfs/dbraw/zinc/52/89/71/996528971.db2.gz XQBUXPJAEKOESO-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502738882 1016048757 /nfs/dbraw/zinc/04/87/57/1016048757.db2.gz UXAOGCJELYXETM-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001502750870 1016054773 /nfs/dbraw/zinc/05/47/73/1016054773.db2.gz KXCULJXKLYBAJQ-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001502750870 1016054782 /nfs/dbraw/zinc/05/47/82/1016054782.db2.gz KXCULJXKLYBAJQ-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC(C)(C)C ZINC001398921189 996750560 /nfs/dbraw/zinc/75/05/60/996750560.db2.gz MSXLNQXWYMRIGC-OCCSQVGLSA-N 1 3 324.469 0.337 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001398961136 996777151 /nfs/dbraw/zinc/77/71/51/996777151.db2.gz XSYRJIOBDKEBIC-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001398968017 996780597 /nfs/dbraw/zinc/78/05/97/996780597.db2.gz VTZYCXBMIPNBCZ-KGLIPLIRSA-N 1 3 308.430 0.247 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399030504 996860786 /nfs/dbraw/zinc/86/07/86/996860786.db2.gz LFTZDQKRWBTQIY-QWHCGFSZSA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399030504 996860792 /nfs/dbraw/zinc/86/07/92/996860792.db2.gz LFTZDQKRWBTQIY-QWHCGFSZSA-N 1 3 321.425 0.223 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001399060815 996907113 /nfs/dbraw/zinc/90/71/13/996907113.db2.gz ZKMMQNARJXBLLO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001404312595 996959584 /nfs/dbraw/zinc/95/95/84/996959584.db2.gz FHUURGNHCJBXCK-NHYWBVRUSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001404312595 996959596 /nfs/dbraw/zinc/95/95/96/996959596.db2.gz FHUURGNHCJBXCK-NHYWBVRUSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](NCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)C(N)=O ZINC001404313661 996962548 /nfs/dbraw/zinc/96/25/48/996962548.db2.gz GCKGSQNYLAXOHR-CYBMUJFWSA-N 1 3 320.437 0.326 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001404317427 996969008 /nfs/dbraw/zinc/96/90/08/996969008.db2.gz HUHVAUWLVGJNMD-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001404317427 996969015 /nfs/dbraw/zinc/96/90/15/996969015.db2.gz HUHVAUWLVGJNMD-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001399125788 997006389 /nfs/dbraw/zinc/00/63/89/997006389.db2.gz UMVOJGFCCJLYKO-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001399125788 997006399 /nfs/dbraw/zinc/00/63/99/997006399.db2.gz UMVOJGFCCJLYKO-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001404337126 997006338 /nfs/dbraw/zinc/00/63/38/997006338.db2.gz WZGBMPQLMYIUGI-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001404337126 997006345 /nfs/dbraw/zinc/00/63/45/997006345.db2.gz WZGBMPQLMYIUGI-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001399125795 997007111 /nfs/dbraw/zinc/00/71/11/997007111.db2.gz UMVOJGFCCJLYKO-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001399125795 997007120 /nfs/dbraw/zinc/00/71/20/997007120.db2.gz UMVOJGFCCJLYKO-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+]CCO)c1ccccc1)C1CCC1 ZINC001404371660 997048114 /nfs/dbraw/zinc/04/81/14/997048114.db2.gz HLPYHSLICXOWOT-INIZCTEOSA-N 1 3 305.422 0.910 20 0 DCADHO CNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001404508585 997184422 /nfs/dbraw/zinc/18/44/22/997184422.db2.gz GYFOIZVKFBKBCZ-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001404573230 997245709 /nfs/dbraw/zinc/24/57/09/997245709.db2.gz GQWMXRYYAAUOHI-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001404573230 997245724 /nfs/dbraw/zinc/24/57/24/997245724.db2.gz GQWMXRYYAAUOHI-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001399427865 997357273 /nfs/dbraw/zinc/35/72/73/997357273.db2.gz CMTUXBUUFSFPNH-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H](C)NC(=O)CN(C)C(C)C ZINC001503098962 1016150389 /nfs/dbraw/zinc/15/03/89/1016150389.db2.gz PHYFWRQOXFNNHU-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](C)NC(=O)CN(C)C(C)C ZINC001503098962 1016150391 /nfs/dbraw/zinc/15/03/91/1016150391.db2.gz PHYFWRQOXFNNHU-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NCCC(F)(F)F)CC1 ZINC001507227981 1016152384 /nfs/dbraw/zinc/15/23/84/1016152384.db2.gz JAIJQNHVQLWQTH-JTQLQIEISA-N 1 3 311.348 0.347 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)CC[NH+](C)C ZINC001405088424 997773439 /nfs/dbraw/zinc/77/34/39/997773439.db2.gz LLQRXFZJWLYJES-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CCc1ccccc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507258779 1016189165 /nfs/dbraw/zinc/18/91/65/1016189165.db2.gz BLERWOPGBCWHFY-IAGOWNOFSA-N 1 3 319.449 0.767 20 0 DCADHO CCc1ccccc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507258779 1016189169 /nfs/dbraw/zinc/18/91/69/1016189169.db2.gz BLERWOPGBCWHFY-IAGOWNOFSA-N 1 3 319.449 0.767 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001405378616 998170966 /nfs/dbraw/zinc/17/09/66/998170966.db2.gz XSMKPZXLZVBLGM-KGLIPLIRSA-N 1 3 322.457 0.590 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)CNCc1cn(C)nn1)[NH+](C)C ZINC001405733972 998514935 /nfs/dbraw/zinc/51/49/35/998514935.db2.gz OKLYLIQSDAGUHY-TZMCWYRMSA-N 1 3 310.446 0.243 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)CN1CCCC1 ZINC001507296182 1016225287 /nfs/dbraw/zinc/22/52/87/1016225287.db2.gz RETZNTRWMKREKG-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C[NH2+]CCO)[C@@H](C(F)(F)F)C1 ZINC001507456179 1016339448 /nfs/dbraw/zinc/33/94/48/1016339448.db2.gz GYAACGDBOMYOJG-KOLCDFICSA-N 1 3 320.315 0.171 20 0 DCADHO C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cnns1 ZINC001418428092 1000211956 /nfs/dbraw/zinc/21/19/56/1000211956.db2.gz AFXGRRAQZWAKNC-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cnns1 ZINC001418428092 1000211959 /nfs/dbraw/zinc/21/19/59/1000211959.db2.gz AFXGRRAQZWAKNC-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)N(C)C(=O)CN1CCCC1 ZINC001401254644 1000312208 /nfs/dbraw/zinc/31/22/08/1000312208.db2.gz FRSIGIVWKQBMTP-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418635322 1000411083 /nfs/dbraw/zinc/41/10/83/1000411083.db2.gz QREUQYMIWCCLAA-BETUJISGSA-N 1 3 310.442 0.091 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2CCn2cncn2)C1 ZINC001418636561 1000411571 /nfs/dbraw/zinc/41/15/71/1000411571.db2.gz JEXHJTBTECREKH-GJZGRUSLSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2CCn2cncn2)C1 ZINC001418636561 1000411575 /nfs/dbraw/zinc/41/15/75/1000411575.db2.gz JEXHJTBTECREKH-GJZGRUSLSA-N 1 3 320.441 0.201 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418645655 1000418472 /nfs/dbraw/zinc/41/84/72/1000418472.db2.gz HOBIFVWVZCFNHX-NMWPEEMBSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001418701417 1000459130 /nfs/dbraw/zinc/45/91/30/1000459130.db2.gz JDDKNIMZNZJGHJ-DZKIICNBSA-N 1 3 321.469 0.991 20 0 DCADHO CCc1nc([C@@H](C)NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001401650407 1000589508 /nfs/dbraw/zinc/58/95/08/1000589508.db2.gz ARERZDTTXIWOSD-VXGBXAGGSA-N 1 3 320.441 0.618 20 0 DCADHO CNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001418948105 1000637072 /nfs/dbraw/zinc/63/70/72/1000637072.db2.gz RDCXMXNNQDJIIO-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001418948105 1000637076 /nfs/dbraw/zinc/63/70/76/1000637076.db2.gz RDCXMXNNQDJIIO-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CCF)C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001418945748 1000637192 /nfs/dbraw/zinc/63/71/92/1000637192.db2.gz SZRSKVLIHFTEAA-AWEZNQCLSA-N 1 3 315.433 0.847 20 0 DCADHO COc1coc(CNC[C@H](C)NC(=O)CC[NH+](C)C)cc1=O ZINC001401699571 1000638240 /nfs/dbraw/zinc/63/82/40/1000638240.db2.gz MNUYBEOIEMESAL-NSHDSACASA-N 1 3 311.382 0.194 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001401706074 1000644870 /nfs/dbraw/zinc/64/48/70/1000644870.db2.gz YDPYLULLLJBQQJ-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCCN(C)C1=O ZINC001401719700 1000657419 /nfs/dbraw/zinc/65/74/19/1000657419.db2.gz UCXVHKUIQFQJOA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCCN(C)C1=O ZINC001401719700 1000657422 /nfs/dbraw/zinc/65/74/22/1000657422.db2.gz UCXVHKUIQFQJOA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](F)CCN1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001419130262 1000802174 /nfs/dbraw/zinc/80/21/74/1000802174.db2.gz HRWOBUQKGAOFBT-CQSZACIVSA-N 1 3 302.438 0.420 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1cnnn1C ZINC001419199849 1000875445 /nfs/dbraw/zinc/87/54/45/1000875445.db2.gz PMNDDOHGNVJOBW-ZDUSSCGKSA-N 1 3 320.441 0.428 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)n[nH]1 ZINC001419254575 1000923656 /nfs/dbraw/zinc/92/36/56/1000923656.db2.gz UJKDOLBHPZVHJL-HONMWMINSA-N 1 3 320.441 0.438 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)n[nH]1 ZINC001419254575 1000923663 /nfs/dbraw/zinc/92/36/63/1000923663.db2.gz UJKDOLBHPZVHJL-HONMWMINSA-N 1 3 320.441 0.438 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]C[C@H](C)O)C1CCCC1 ZINC001402120939 1001032654 /nfs/dbraw/zinc/03/26/54/1001032654.db2.gz KFTGRKBUBOLWFW-NHYWBVRUSA-N 1 3 308.426 0.906 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001419438276 1001050292 /nfs/dbraw/zinc/05/02/92/1001050292.db2.gz NNYUDVNBPVOCAH-JOCQHMNTSA-N 1 3 312.458 0.480 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001419508298 1001104445 /nfs/dbraw/zinc/10/44/45/1001104445.db2.gz JPFUMGRKJSLFQB-UONOGXRCSA-N 1 3 321.469 0.912 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001419521261 1001113601 /nfs/dbraw/zinc/11/36/01/1001113601.db2.gz UHHLUBDXUCKXDL-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001419530168 1001119555 /nfs/dbraw/zinc/11/95/55/1001119555.db2.gz WXYSNXOUXVKDEX-WCQYABFASA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001419564720 1001143954 /nfs/dbraw/zinc/14/39/54/1001143954.db2.gz RWOZUIKJYCWMMO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CNCC(=O)NC1CC1 ZINC001419604478 1001168755 /nfs/dbraw/zinc/16/87/55/1001168755.db2.gz FVKLHLPOISCMAJ-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001419611804 1001171473 /nfs/dbraw/zinc/17/14/73/1001171473.db2.gz DGRLJTAVWPZNHY-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001419611804 1001171476 /nfs/dbraw/zinc/17/14/76/1001171476.db2.gz DGRLJTAVWPZNHY-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2cccnc2)C1 ZINC001402280855 1001173935 /nfs/dbraw/zinc/17/39/35/1001173935.db2.gz IXQZIQDFKGPYNG-NVXWUHKLSA-N 1 3 318.421 0.229 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001402280855 1001173940 /nfs/dbraw/zinc/17/39/40/1001173940.db2.gz IXQZIQDFKGPYNG-NVXWUHKLSA-N 1 3 318.421 0.229 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001419712465 1001242050 /nfs/dbraw/zinc/24/20/50/1001242050.db2.gz CLZNIOSKTORXIT-HIFRSBDPSA-N 1 3 322.453 0.662 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001419743671 1001271956 /nfs/dbraw/zinc/27/19/56/1001271956.db2.gz SYCCLMWNSKOCLS-BLLLJJGKSA-N 1 3 317.437 0.721 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CCCO)C2)C1 ZINC001402400339 1001280167 /nfs/dbraw/zinc/28/01/67/1001280167.db2.gz XHUJJWUNZSVEFN-JKSUJKDBSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CCCO)C2)C1 ZINC001402400339 1001280173 /nfs/dbraw/zinc/28/01/73/1001280173.db2.gz XHUJJWUNZSVEFN-JKSUJKDBSA-N 1 3 311.470 0.881 20 0 DCADHO CC(C)C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001419791525 1001310691 /nfs/dbraw/zinc/31/06/91/1001310691.db2.gz CQPXOUISKACDMC-UONOGXRCSA-N 1 3 322.453 0.091 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001419817702 1001331353 /nfs/dbraw/zinc/33/13/53/1001331353.db2.gz IMTILDWWDZWTPJ-GXTWGEPZSA-N 1 3 321.425 0.257 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001402474556 1001344853 /nfs/dbraw/zinc/34/48/53/1001344853.db2.gz JGRMREGDYBJDTC-AAVRWANBSA-N 1 3 312.458 0.465 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001402536531 1001390764 /nfs/dbraw/zinc/39/07/64/1001390764.db2.gz NGRBRRYRIIFFFG-HDJSIYSDSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001419927405 1001411363 /nfs/dbraw/zinc/41/13/63/1001411363.db2.gz AAQDQMUOUGIVPC-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N(C)C1CC1 ZINC001419934257 1001415909 /nfs/dbraw/zinc/41/59/09/1001415909.db2.gz XJMWSBTYRHMDFP-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCC(=O)Nc2ccccc2)C1 ZINC001402611402 1001440778 /nfs/dbraw/zinc/44/07/78/1001440778.db2.gz QSCSJPKEVPUNOS-GASCZTMLSA-N 1 3 318.421 0.814 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001402723543 1001481397 /nfs/dbraw/zinc/48/13/97/1001481397.db2.gz STUAXUXIWYPBRI-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cn1 ZINC001402754186 1001489755 /nfs/dbraw/zinc/48/97/55/1001489755.db2.gz HRJFLSCTVZMCBM-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCC(=O)NC1CC1 ZINC001402779562 1001498466 /nfs/dbraw/zinc/49/84/66/1001498466.db2.gz BDHPLWJRJSCERR-DOMZBBRYSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1ccnn1C ZINC001402782673 1001500187 /nfs/dbraw/zinc/50/01/87/1001500187.db2.gz SHJXEPBQHXWEFI-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC(=O)NC)CC1 ZINC001402829284 1001520663 /nfs/dbraw/zinc/52/06/63/1001520663.db2.gz AGBCKHDJHITEEN-YMAMQOFZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1cnns1 ZINC001402839537 1001526721 /nfs/dbraw/zinc/52/67/21/1001526721.db2.gz GAVBSTNLFLSSGW-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NCc1cnns1 ZINC001402839537 1001526726 /nfs/dbraw/zinc/52/67/26/1001526726.db2.gz GAVBSTNLFLSSGW-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NC/C=C\Cl ZINC001402885251 1001556633 /nfs/dbraw/zinc/55/66/33/1001556633.db2.gz QPPNCXTUHSWMSY-TXNVCOODSA-N 1 3 313.833 0.905 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cccn1 ZINC001402897382 1001563745 /nfs/dbraw/zinc/56/37/45/1001563745.db2.gz YRLZEKXBBYQGIY-GJZGRUSLSA-N 1 3 307.442 0.850 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC(=O)N2CCCC2)C1 ZINC001402952999 1001600933 /nfs/dbraw/zinc/60/09/33/1001600933.db2.gz NFAJIWCQAJMZGB-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NC)C1 ZINC001402956456 1001601536 /nfs/dbraw/zinc/60/15/36/1001601536.db2.gz ULTUQJKAVAPXGC-RUXDESIVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001402973141 1001611505 /nfs/dbraw/zinc/61/15/05/1001611505.db2.gz CIKIKVLRUIQTOW-NWDGAFQWSA-N 1 3 310.442 0.090 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@H](O)CC(F)(F)F ZINC001403105393 1001676044 /nfs/dbraw/zinc/67/60/44/1001676044.db2.gz YKHLHVGKYAVIMM-WCBMZHEXSA-N 1 3 322.331 0.668 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001424676583 1001907084 /nfs/dbraw/zinc/90/70/84/1001907084.db2.gz SKVYGLWTERRTEJ-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001424676583 1001907091 /nfs/dbraw/zinc/90/70/91/1001907091.db2.gz SKVYGLWTERRTEJ-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCCN2C)on1 ZINC001420140922 1001931813 /nfs/dbraw/zinc/93/18/13/1001931813.db2.gz CXPXLQNGVVJKQT-OCCSQVGLSA-N 1 3 310.398 0.034 20 0 DCADHO CC[C@H](C(=O)NCC1=CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001512076124 1016544040 /nfs/dbraw/zinc/54/40/40/1016544040.db2.gz SEZREJGPQSSCPS-OAHLLOKOSA-N 1 3 324.469 0.553 20 0 DCADHO Cc1ncc(CNC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)s1 ZINC001420189370 1002006196 /nfs/dbraw/zinc/00/61/96/1002006196.db2.gz DDWBSVUATNDLMP-GFCCVEGCSA-N 1 3 324.450 0.114 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cnn(C)c1 ZINC001403562056 1002143920 /nfs/dbraw/zinc/14/39/20/1002143920.db2.gz QBQFWPBRPPXKCF-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cnn(C)c1 ZINC001403562056 1002143926 /nfs/dbraw/zinc/14/39/26/1002143926.db2.gz QBQFWPBRPPXKCF-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001403571555 1002157662 /nfs/dbraw/zinc/15/76/62/1002157662.db2.gz RFBVKLWYFJRENI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001403571555 1002157666 /nfs/dbraw/zinc/15/76/66/1002157666.db2.gz RFBVKLWYFJRENI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@@H]2C[C@]23CCOC3)CCC1 ZINC001403573664 1002161171 /nfs/dbraw/zinc/16/11/71/1002161171.db2.gz FKZQJHQJWHLZIH-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@@H]2C[C@]23CCOC3)CCC1 ZINC001403573664 1002161176 /nfs/dbraw/zinc/16/11/76/1002161176.db2.gz FKZQJHQJWHLZIH-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(C)(C)C ZINC001403596839 1002185657 /nfs/dbraw/zinc/18/56/57/1002185657.db2.gz HRMSMYWKWJWUBQ-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001420341784 1002252780 /nfs/dbraw/zinc/25/27/80/1002252780.db2.gz VTTGZRSOVLMDST-VXGBXAGGSA-N 1 3 310.442 0.090 20 0 DCADHO CN(CC(=O)NC[C@H](CO)[NH2+]Cc1ccccc1)C1CCC1 ZINC001403672874 1002324641 /nfs/dbraw/zinc/32/46/41/1002324641.db2.gz QGPYZOQEEOGGMU-OAHLLOKOSA-N 1 3 305.422 0.738 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1 ZINC001505851610 1016612543 /nfs/dbraw/zinc/61/25/43/1016612543.db2.gz VPROIWQQEKQNDK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)N1CCCCCC1 ZINC001471641550 1016617015 /nfs/dbraw/zinc/61/70/15/1016617015.db2.gz KKXQBFKHFOKTOY-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)N1CCCCCC1 ZINC001471641550 1016617021 /nfs/dbraw/zinc/61/70/21/1016617021.db2.gz KKXQBFKHFOKTOY-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001403752837 1002471194 /nfs/dbraw/zinc/47/11/94/1002471194.db2.gz MMEWDXSPSJWVHY-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(CCc2cnn(C)c2)C1 ZINC001425248655 1002476414 /nfs/dbraw/zinc/47/64/14/1002476414.db2.gz FTQFDRDARCKURM-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001420508664 1002521009 /nfs/dbraw/zinc/52/10/09/1002521009.db2.gz PQGWPQGPWKQKBZ-LBPRGKRZSA-N 1 3 305.426 0.419 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420510536 1002525498 /nfs/dbraw/zinc/52/54/98/1002525498.db2.gz MFJGFHRVIUDCSP-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420510536 1002525508 /nfs/dbraw/zinc/52/55/08/1002525508.db2.gz MFJGFHRVIUDCSP-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403875027 1002664233 /nfs/dbraw/zinc/66/42/33/1002664233.db2.gz DVOQFVAWBXUNDU-HOCLYGCPSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403875027 1002664244 /nfs/dbraw/zinc/66/42/44/1002664244.db2.gz DVOQFVAWBXUNDU-HOCLYGCPSA-N 1 3 320.437 0.332 20 0 DCADHO CC[C@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001420713887 1002840332 /nfs/dbraw/zinc/84/03/32/1002840332.db2.gz GCEIRPOOUKFPKM-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001420718499 1002847562 /nfs/dbraw/zinc/84/75/62/1002847562.db2.gz UBNFLTMFYYUXRY-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1=O ZINC001420718499 1002847569 /nfs/dbraw/zinc/84/75/69/1002847569.db2.gz UBNFLTMFYYUXRY-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001420730663 1002878051 /nfs/dbraw/zinc/87/80/51/1002878051.db2.gz KMVVRGKLOUDQSI-OAHLLOKOSA-N 1 3 320.437 0.674 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1C[C@H]1CCc2ncnn21 ZINC001404010675 1002899273 /nfs/dbraw/zinc/89/92/73/1002899273.db2.gz OXLNTTIVZJNAHD-ZIAGYGMSSA-N 1 3 320.441 0.298 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001425672415 1002948382 /nfs/dbraw/zinc/94/83/82/1002948382.db2.gz DLNFEUKHDMXRGK-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001425672415 1002948392 /nfs/dbraw/zinc/94/83/92/1002948392.db2.gz DLNFEUKHDMXRGK-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1=CCN(CCO)CC1)[NH+]1CCCC1 ZINC001508228211 1016728084 /nfs/dbraw/zinc/72/80/84/1016728084.db2.gz DNHDUBBWPSMPEQ-INIZCTEOSA-N 1 3 309.454 0.847 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001425807859 1003133794 /nfs/dbraw/zinc/13/37/94/1003133794.db2.gz VFJPYIIBEACOKV-CVEARBPZSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405855679 1003142911 /nfs/dbraw/zinc/14/29/11/1003142911.db2.gz ZPSDHZAUMZNBMG-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CN1CCC(C)CC1 ZINC001405873985 1003160699 /nfs/dbraw/zinc/16/06/99/1003160699.db2.gz QDDDFYZUGVAMTP-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](NC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001420951561 1003169011 /nfs/dbraw/zinc/16/90/11/1003169011.db2.gz FJAVVCPQMVTMIX-QWHCGFSZSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](NC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001420951561 1003169015 /nfs/dbraw/zinc/16/90/15/1003169015.db2.gz FJAVVCPQMVTMIX-QWHCGFSZSA-N 1 3 310.442 0.363 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)[C@@H]2CCNC2=O)CC1 ZINC001420965055 1003181271 /nfs/dbraw/zinc/18/12/71/1003181271.db2.gz LPWLFXCDHBKSDD-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)[C@@H]2CCNC2=O)CC1 ZINC001420965055 1003181274 /nfs/dbraw/zinc/18/12/74/1003181274.db2.gz LPWLFXCDHBKSDD-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)c1nc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)n[nH]1 ZINC001425878329 1003211965 /nfs/dbraw/zinc/21/19/65/1003211965.db2.gz GDRMZAMXSFAIKN-OLZOCXBDSA-N 1 3 322.457 0.959 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N(C)C2CC2)CN1C(=O)CCC[NH+](C)C ZINC001425906814 1003246951 /nfs/dbraw/zinc/24/69/51/1003246951.db2.gz PGXGDXOEWPJJAN-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C[C@H]1C ZINC001425914329 1003251922 /nfs/dbraw/zinc/25/19/22/1003251922.db2.gz MCWVUOWEUKAENC-KGLIPLIRSA-N 1 3 308.430 0.199 20 0 DCADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)Cc1c[nH]cn1 ZINC001426035836 1003366826 /nfs/dbraw/zinc/36/68/26/1003366826.db2.gz QAOWIFPIOVICSG-KBPBESRZSA-N 1 3 324.425 0.176 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001426081347 1003417751 /nfs/dbraw/zinc/41/77/51/1003417751.db2.gz MMRRMSGSHRUOIV-INIZCTEOSA-N 1 3 307.438 0.889 20 0 DCADHO C[C@]1(C[NH2+]Cc2cnns2)CCN(C(=O)CN2CCCC2)C1 ZINC001421250024 1003482336 /nfs/dbraw/zinc/48/23/36/1003482336.db2.gz BJBLSWGODNBZHV-OAHLLOKOSA-N 1 3 323.466 0.962 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001421273182 1003494402 /nfs/dbraw/zinc/49/44/02/1003494402.db2.gz WLVNCCCEEAEBOS-WMLDXEAASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406391266 1003672868 /nfs/dbraw/zinc/67/28/68/1003672868.db2.gz KJYFQHCHSMVVPU-ZOBORPQBSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406391266 1003672870 /nfs/dbraw/zinc/67/28/70/1003672870.db2.gz KJYFQHCHSMVVPU-ZOBORPQBSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC001426245782 1003674496 /nfs/dbraw/zinc/67/44/96/1003674496.db2.gz NEWCINSOUKSTKW-RUXDESIVSA-N 1 3 310.442 0.184 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001426501845 1003798264 /nfs/dbraw/zinc/79/82/64/1003798264.db2.gz PERBFAZOEAJFAF-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001406783047 1004089539 /nfs/dbraw/zinc/08/95/39/1004089539.db2.gz GLZHCSIYVCJECT-UKRRQHHQSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406783047 1004089549 /nfs/dbraw/zinc/08/95/49/1004089549.db2.gz GLZHCSIYVCJECT-UKRRQHHQSA-N 1 3 305.426 0.356 20 0 DCADHO CN1CC[C@@H](NC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)C1=O ZINC001406782391 1004089850 /nfs/dbraw/zinc/08/98/50/1004089850.db2.gz RJOHPDNPRRDMDG-KGLIPLIRSA-N 1 3 322.453 0.043 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1)CC(C)(C)C ZINC001406798734 1004105085 /nfs/dbraw/zinc/10/50/85/1004105085.db2.gz RARASRNGTVYENW-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](NC1(CNC(=O)CC[NH+]2CCCCC2)CC1)C(N)=O ZINC001407004005 1004300235 /nfs/dbraw/zinc/30/02/35/1004300235.db2.gz HYQDDUUJRAAYGN-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CN(C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C1CC1 ZINC001407112737 1004393308 /nfs/dbraw/zinc/39/33/08/1004393308.db2.gz NQGPPCHTNGVCPX-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001429290243 1004511101 /nfs/dbraw/zinc/51/11/01/1004511101.db2.gz XZHJDTGZYXPGKR-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001429290243 1004511105 /nfs/dbraw/zinc/51/11/05/1004511105.db2.gz XZHJDTGZYXPGKR-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001407353004 1004577600 /nfs/dbraw/zinc/57/76/00/1004577600.db2.gz PUUSXVPGTIIYMR-HOCLYGCPSA-N 1 3 313.442 0.059 20 0 DCADHO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001407353004 1004577608 /nfs/dbraw/zinc/57/76/08/1004577608.db2.gz PUUSXVPGTIIYMR-HOCLYGCPSA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)NC ZINC001407757439 1004840459 /nfs/dbraw/zinc/84/04/59/1004840459.db2.gz PADZGONXYLOFQZ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(=O)NC ZINC001407757439 1004840461 /nfs/dbraw/zinc/84/04/61/1004840461.db2.gz PADZGONXYLOFQZ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001508590507 1016924927 /nfs/dbraw/zinc/92/49/27/1016924927.db2.gz YQTANDROIQMGOY-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001408074957 1005019952 /nfs/dbraw/zinc/01/99/52/1005019952.db2.gz ITOIDJJFGFCGGO-MGPQQGTHSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001414780594 1005401531 /nfs/dbraw/zinc/40/15/31/1005401531.db2.gz FTMUJPMAUWEAKY-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001414780594 1005401533 /nfs/dbraw/zinc/40/15/33/1005401533.db2.gz FTMUJPMAUWEAKY-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001418065207 1005995916 /nfs/dbraw/zinc/99/59/16/1005995916.db2.gz YTUNMEGCZUTRHA-SYQHCUMBSA-N 1 3 310.442 0.088 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)C1=O ZINC001418075485 1006008536 /nfs/dbraw/zinc/00/85/36/1006008536.db2.gz QBJWKUGONJEEHO-AJNGGQMLSA-N 1 3 324.469 0.430 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001418114204 1006056873 /nfs/dbraw/zinc/05/68/73/1006056873.db2.gz RAOJKABEHRZQIP-OKILXGFUSA-N 1 3 310.442 0.090 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001418113764 1006059369 /nfs/dbraw/zinc/05/93/69/1006059369.db2.gz NAFINAXEWOIQPQ-FQUUOJAGSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001438730770 1006080514 /nfs/dbraw/zinc/08/05/14/1006080514.db2.gz GIOVBAQCXCLPFR-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438730770 1006080526 /nfs/dbraw/zinc/08/05/26/1006080526.db2.gz GIOVBAQCXCLPFR-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COC)C1)N(C)C ZINC001418127655 1006082355 /nfs/dbraw/zinc/08/23/55/1006082355.db2.gz RAXOMBUZBDCOPL-RRFJBIMHSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1)N(C)C ZINC001418127655 1006082368 /nfs/dbraw/zinc/08/23/68/1006082368.db2.gz RAXOMBUZBDCOPL-RRFJBIMHSA-N 1 3 315.458 0.162 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418130740 1006084212 /nfs/dbraw/zinc/08/42/12/1006084212.db2.gz AFMVQGAMYPOGAT-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001418165906 1006121586 /nfs/dbraw/zinc/12/15/86/1006121586.db2.gz HNVFIFSKCIDEDG-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=O)NC ZINC001436669658 1006248074 /nfs/dbraw/zinc/24/80/74/1006248074.db2.gz OTMBXYFVLWBJOR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCC(=O)NC ZINC001436669658 1006248082 /nfs/dbraw/zinc/24/80/82/1006248082.db2.gz OTMBXYFVLWBJOR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001451652414 1006341927 /nfs/dbraw/zinc/34/19/27/1006341927.db2.gz ZTJKXJCNDBLSEK-GXTWGEPZSA-N 1 3 321.425 0.400 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001418325464 1006378697 /nfs/dbraw/zinc/37/86/97/1006378697.db2.gz CKDFFBNIHZLFQA-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001418325464 1006378705 /nfs/dbraw/zinc/37/87/05/1006378705.db2.gz CKDFFBNIHZLFQA-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[C@@H](N[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)C1=O ZINC001436817474 1006388341 /nfs/dbraw/zinc/38/83/41/1006388341.db2.gz WXQOQOYEYOWUSR-KGLIPLIRSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001436824316 1006393562 /nfs/dbraw/zinc/39/35/62/1006393562.db2.gz DUUJQCAOCZXPAQ-SWLSCSKDSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001436824316 1006393574 /nfs/dbraw/zinc/39/35/74/1006393574.db2.gz DUUJQCAOCZXPAQ-SWLSCSKDSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC(C)(C)C ZINC001418334093 1006394632 /nfs/dbraw/zinc/39/46/32/1006394632.db2.gz XSALMSMWQFFMMC-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001418335199 1006397070 /nfs/dbraw/zinc/39/70/70/1006397070.db2.gz IDSHITHLTFJHKI-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001418335199 1006397080 /nfs/dbraw/zinc/39/70/80/1006397080.db2.gz IDSHITHLTFJHKI-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001439075409 1006439276 /nfs/dbraw/zinc/43/92/76/1006439276.db2.gz CPPMKWKNIOYBSC-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439083484 1006451258 /nfs/dbraw/zinc/45/12/58/1006451258.db2.gz LXJRABBGCNNMCS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439083484 1006451262 /nfs/dbraw/zinc/45/12/62/1006451262.db2.gz LXJRABBGCNNMCS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)C1CCC1 ZINC001436957626 1006481781 /nfs/dbraw/zinc/48/17/81/1006481781.db2.gz ZKPILHFNHHVCOX-OKILXGFUSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001439269650 1006642902 /nfs/dbraw/zinc/64/29/02/1006642902.db2.gz MDEVDHABSPBDMW-SWLSCSKDSA-N 1 3 322.453 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001439274337 1006646325 /nfs/dbraw/zinc/64/63/25/1006646325.db2.gz LCIQCSGIQQTHJQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCCNC1=O ZINC001437259469 1006776544 /nfs/dbraw/zinc/77/65/44/1006776544.db2.gz PTWYMDDARAAYAK-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CC2CCC2)C1)C1CCC1 ZINC001439993290 1007392893 /nfs/dbraw/zinc/39/28/93/1007392893.db2.gz WXTCIPQNKHYAMW-QGZVFWFLSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CC2CCC2)C1)C1CCC1 ZINC001439993290 1007392907 /nfs/dbraw/zinc/39/29/07/1007392907.db2.gz WXTCIPQNKHYAMW-QGZVFWFLSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCO)C3)CCC1 ZINC001440097699 1007493240 /nfs/dbraw/zinc/49/32/40/1007493240.db2.gz IYVKOIIADFEOEL-ZNMIVQPWSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCO)C3)CCC1 ZINC001440097699 1007493242 /nfs/dbraw/zinc/49/32/42/1007493242.db2.gz IYVKOIIADFEOEL-ZNMIVQPWSA-N 1 3 309.454 0.822 20 0 DCADHO Cc1nnc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001440134987 1007515671 /nfs/dbraw/zinc/51/56/71/1007515671.db2.gz NOXZTKRCNUVLSU-YPMHNXCESA-N 1 3 308.430 0.249 20 0 DCADHO CN(CC(=O)NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1)C1CCC1 ZINC001438128111 1007654219 /nfs/dbraw/zinc/65/42/19/1007654219.db2.gz LFCASAOMUUFYCI-CRAIPNDOSA-N 1 3 321.465 0.945 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)NC ZINC001438312041 1007808083 /nfs/dbraw/zinc/80/80/83/1007808083.db2.gz LEAMJMFVVAJEFU-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(=O)NC ZINC001438312041 1007808093 /nfs/dbraw/zinc/80/80/93/1007808093.db2.gz LEAMJMFVVAJEFU-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(=O)NC ZINC001438317612 1007814488 /nfs/dbraw/zinc/81/44/88/1007814488.db2.gz KLNQAMSTXWCCGK-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001438454380 1007918412 /nfs/dbraw/zinc/91/84/12/1007918412.db2.gz VPVAKVCULUGGOT-GFCCVEGCSA-N 1 3 308.426 0.860 20 0 DCADHO CNC(=O)CN1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001440751415 1007997340 /nfs/dbraw/zinc/99/73/40/1007997340.db2.gz VXYDAGAMNRRTNJ-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001440804087 1008036807 /nfs/dbraw/zinc/03/68/07/1008036807.db2.gz XXAPIIITBGFEPI-CHWSQXEVSA-N 1 3 312.458 0.478 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+]Cc1cnn(C)c1)C1CC1)C1CCC1 ZINC001441194828 1008264363 /nfs/dbraw/zinc/26/43/63/1008264363.db2.gz AUEWBGIWXIMWBA-MRXNPFEDSA-N 1 3 319.453 0.889 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001441370165 1008336127 /nfs/dbraw/zinc/33/61/27/1008336127.db2.gz PMNOKEBYKPIMOI-AAVRWANBSA-N 1 3 312.458 0.192 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)C1=O ZINC001441663681 1008446640 /nfs/dbraw/zinc/44/66/40/1008446640.db2.gz YEYVQXQEPGRKTF-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(C)C)[C@@H]1C ZINC001441818208 1008515845 /nfs/dbraw/zinc/51/58/45/1008515845.db2.gz CJAWLVBTZFRORZ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(C)C)[C@@H]1C ZINC001441818208 1008515846 /nfs/dbraw/zinc/51/58/46/1008515846.db2.gz CJAWLVBTZFRORZ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCCC1=O ZINC001421420313 1008558332 /nfs/dbraw/zinc/55/83/32/1008558332.db2.gz IHTCFNXWEJGGIZ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001453651748 1008642449 /nfs/dbraw/zinc/64/24/49/1008642449.db2.gz BHZGJULHBCYYGG-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001453651748 1008642457 /nfs/dbraw/zinc/64/24/57/1008642457.db2.gz BHZGJULHBCYYGG-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001453655657 1008645241 /nfs/dbraw/zinc/64/52/41/1008645241.db2.gz NCIKFSMOFCGPMM-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001453655657 1008645249 /nfs/dbraw/zinc/64/52/49/1008645249.db2.gz NCIKFSMOFCGPMM-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCCC1)N(C)C ZINC001421514185 1008679128 /nfs/dbraw/zinc/67/91/28/1008679128.db2.gz UZXJIEFIIVMDRG-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001421547967 1008711949 /nfs/dbraw/zinc/71/19/49/1008711949.db2.gz ZRLQRMHUMLGSIL-LSDHHAIUSA-N 1 3 324.469 0.148 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001421547209 1008714187 /nfs/dbraw/zinc/71/41/87/1008714187.db2.gz RCSKFWPXAGPWHQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001421572603 1008746132 /nfs/dbraw/zinc/74/61/32/1008746132.db2.gz SDEQIPPWRYQUMN-PBHICJAKSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@@](C)(C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001421583580 1008757820 /nfs/dbraw/zinc/75/78/20/1008757820.db2.gz KEWCYQOYHSAUKX-CJNGLKHVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001433445877 1008794514 /nfs/dbraw/zinc/79/45/14/1008794514.db2.gz JZBSCGADPWJAIU-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001454013224 1008855132 /nfs/dbraw/zinc/85/51/32/1008855132.db2.gz WTNSYUIOXGHFKX-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001442071873 1008929282 /nfs/dbraw/zinc/92/92/82/1008929282.db2.gz XXKOBMNZLKPMBW-CHWSQXEVSA-N 1 3 314.474 0.724 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001442176913 1009054766 /nfs/dbraw/zinc/05/47/66/1009054766.db2.gz KBCRPQRMJMSUEG-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](F)CNC[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001421814237 1009125120 /nfs/dbraw/zinc/12/51/20/1009125120.db2.gz FPOVTXIJLNDIEK-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@H](F)CNC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001421814237 1009125123 /nfs/dbraw/zinc/12/51/23/1009125123.db2.gz FPOVTXIJLNDIEK-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001421848816 1009163726 /nfs/dbraw/zinc/16/37/26/1009163726.db2.gz QESYZSDZSBKYFS-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001421864185 1009177380 /nfs/dbraw/zinc/17/73/80/1009177380.db2.gz BRHPVRJBWRFDFC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001421937789 1009286822 /nfs/dbraw/zinc/28/68/22/1009286822.db2.gz HBHALOCQQUXMQE-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001454860918 1009368669 /nfs/dbraw/zinc/36/86/69/1009368669.db2.gz ICHLMCHUAPHTBT-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@@H](C)C(N)=O ZINC001422029896 1009414333 /nfs/dbraw/zinc/41/43/33/1009414333.db2.gz NBCFMLQNTCJXHU-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001442524556 1009441238 /nfs/dbraw/zinc/44/12/38/1009441238.db2.gz JJXLJBGYIFUBSE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001434089051 1009545625 /nfs/dbraw/zinc/54/56/25/1009545625.db2.gz OTJMZCZIFADEPC-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001434089051 1009545636 /nfs/dbraw/zinc/54/56/36/1009545636.db2.gz OTJMZCZIFADEPC-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001422262165 1009727019 /nfs/dbraw/zinc/72/70/19/1009727019.db2.gz CVTXJIBHOPARFG-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001422281390 1009766036 /nfs/dbraw/zinc/76/60/36/1009766036.db2.gz RHHYSSIGOOYHMV-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001422436372 1010079464 /nfs/dbraw/zinc/07/94/64/1010079464.db2.gz FGWFIZHQTBNJDV-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@H]1CCN(C)C1=O ZINC001422447563 1010100894 /nfs/dbraw/zinc/10/08/94/1010100894.db2.gz JHOOLJCQCHPRLR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@H]1CCN(C)C1=O ZINC001422447563 1010100900 /nfs/dbraw/zinc/10/09/00/1010100900.db2.gz JHOOLJCQCHPRLR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CN1CCC(C)CC1 ZINC001422455211 1010108757 /nfs/dbraw/zinc/10/87/57/1010108757.db2.gz WBVSWQFRNXFTEI-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)CCC[NH+]2CCCC2)C1=O ZINC001443098656 1010136806 /nfs/dbraw/zinc/13/68/06/1010136806.db2.gz IKLPHYSBDAAHEA-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001443126207 1010160869 /nfs/dbraw/zinc/16/08/69/1010160869.db2.gz YOCXKCMGPIMMQP-GFCCVEGCSA-N 1 3 321.425 0.305 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001443334600 1010342813 /nfs/dbraw/zinc/34/28/13/1010342813.db2.gz JGMMTDMIBDKSPU-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)CC ZINC001443937226 1010761246 /nfs/dbraw/zinc/76/12/46/1010761246.db2.gz MMUSWNSFSGBEMR-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)CC ZINC001443937226 1010761253 /nfs/dbraw/zinc/76/12/53/1010761253.db2.gz MMUSWNSFSGBEMR-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1n[nH]c(C)n1 ZINC001443973365 1010783960 /nfs/dbraw/zinc/78/39/60/1010783960.db2.gz QRVHQINLRGNEDY-UBHSHLNASA-N 1 3 322.457 0.828 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1n[nH]c(C)n1 ZINC001443973365 1010783966 /nfs/dbraw/zinc/78/39/66/1010783966.db2.gz QRVHQINLRGNEDY-UBHSHLNASA-N 1 3 322.457 0.828 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001422990809 1010791974 /nfs/dbraw/zinc/79/19/74/1010791974.db2.gz CIRWURACIOEWID-BPLDGKMQSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001422990809 1010791975 /nfs/dbraw/zinc/79/19/75/1010791975.db2.gz CIRWURACIOEWID-BPLDGKMQSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1n[nH]c(C(C)C)n1 ZINC001444032411 1010811950 /nfs/dbraw/zinc/81/19/50/1010811950.db2.gz FXVSWRFSAYPWSE-STQMWFEESA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C(C)C)n1 ZINC001444032411 1010811953 /nfs/dbraw/zinc/81/19/53/1010811953.db2.gz FXVSWRFSAYPWSE-STQMWFEESA-N 1 3 322.457 0.864 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001423043946 1010835017 /nfs/dbraw/zinc/83/50/17/1010835017.db2.gz MXHBOPCVHAHRHZ-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001423043946 1010835022 /nfs/dbraw/zinc/83/50/22/1010835022.db2.gz MXHBOPCVHAHRHZ-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)N[C@H](C)C(N)=O ZINC001423047429 1010837471 /nfs/dbraw/zinc/83/74/71/1010837471.db2.gz GWKXOKDPEZBQAU-CHWSQXEVSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)NCC1CC1 ZINC001423127296 1010910202 /nfs/dbraw/zinc/91/02/02/1010910202.db2.gz JYFRQDBDJACFAH-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)NCC1CC1 ZINC001423127296 1010910203 /nfs/dbraw/zinc/91/02/03/1010910203.db2.gz JYFRQDBDJACFAH-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001423166309 1010936808 /nfs/dbraw/zinc/93/68/08/1010936808.db2.gz KXIGVMGEOXECGG-CYBMUJFWSA-N 1 3 307.442 0.761 20 0 DCADHO CN1CCC[C@H](NC2(CNC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001423269517 1011032864 /nfs/dbraw/zinc/03/28/64/1011032864.db2.gz CEGVOOGANFFTGV-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CC[NH+]1CCC(CN2CCN(Cc3nnc(C)[nH]3)CC2)CC1 ZINC001423326406 1011077020 /nfs/dbraw/zinc/07/70/20/1011077020.db2.gz GFFYPNXZUSWOSJ-UHFFFAOYSA-N 1 3 306.458 0.963 20 0 DCADHO C[C@H](C[NH2+]Cc1cncn1C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444631136 1011105531 /nfs/dbraw/zinc/10/55/31/1011105531.db2.gz NPSGFBAVWXEUPC-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444710963 1011142642 /nfs/dbraw/zinc/14/26/42/1011142642.db2.gz QFAANQWSFUBDBF-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444710963 1011142645 /nfs/dbraw/zinc/14/26/45/1011142645.db2.gz QFAANQWSFUBDBF-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001423469850 1011170806 /nfs/dbraw/zinc/17/08/06/1011170806.db2.gz QQRZRXPSIHOAPU-RYUDHWBXSA-N 1 3 307.398 0.057 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001444805166 1011177129 /nfs/dbraw/zinc/17/71/29/1011177129.db2.gz BPNVMYXVQSBUMB-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423485975 1011181075 /nfs/dbraw/zinc/18/10/75/1011181075.db2.gz PEFUOZVMBPTZOC-HOCLYGCPSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423485975 1011181076 /nfs/dbraw/zinc/18/10/76/1011181076.db2.gz PEFUOZVMBPTZOC-HOCLYGCPSA-N 1 3 320.437 0.251 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001444825795 1011182092 /nfs/dbraw/zinc/18/20/92/1011182092.db2.gz KGKHYVAGOCTMEJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001444871834 1011192497 /nfs/dbraw/zinc/19/24/97/1011192497.db2.gz MWEUDLABZZWPLX-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001533573445 1011451095 /nfs/dbraw/zinc/45/10/95/1011451095.db2.gz RWHUEZCFQBOTNZ-KXLSMFKISA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001533573445 1011451103 /nfs/dbraw/zinc/45/11/03/1011451103.db2.gz RWHUEZCFQBOTNZ-KXLSMFKISA-N 1 3 324.469 0.457 20 0 DCADHO C[C@H](CC[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001445314499 1011641053 /nfs/dbraw/zinc/64/10/53/1011641053.db2.gz MBCYBUKNZYHUOC-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](NC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001445392544 1011721336 /nfs/dbraw/zinc/72/13/36/1011721336.db2.gz DETQOJJTUQENPB-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](NCc1nncn1C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001423933078 1011746333 /nfs/dbraw/zinc/74/63/33/1011746333.db2.gz BPGFJPNGNXJMNY-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001445432266 1011760573 /nfs/dbraw/zinc/76/05/73/1011760573.db2.gz KTULLKAUUQOPMV-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001445545532 1011904779 /nfs/dbraw/zinc/90/47/79/1011904779.db2.gz HHAHKRMDSUYUMP-WCFLWFBJSA-N 1 3 308.430 0.438 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001445545532 1011904788 /nfs/dbraw/zinc/90/47/88/1011904788.db2.gz HHAHKRMDSUYUMP-WCFLWFBJSA-N 1 3 308.430 0.438 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1 ZINC001553441061 1011978735 /nfs/dbraw/zinc/97/87/35/1011978735.db2.gz ZKIFJMGOMWBEDG-DOTOQJQBSA-N 1 3 324.469 0.868 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001553449741 1011985569 /nfs/dbraw/zinc/98/55/69/1011985569.db2.gz NQPNYWOLXQFRJF-GOEBONIOSA-N 1 3 310.442 0.635 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)CC1(C)C ZINC001553483534 1012016485 /nfs/dbraw/zinc/01/64/85/1012016485.db2.gz XKHWHKVJKLKGAY-CJNGLKHVSA-N 1 3 309.458 0.145 20 0 DCADHO [NH3+]CC1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553517677 1012062422 /nfs/dbraw/zinc/06/24/22/1012062422.db2.gz JZLCEWWHNSNCIK-CKUJCDMFSA-N 1 3 324.469 0.745 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001445659764 1012072328 /nfs/dbraw/zinc/07/23/28/1012072328.db2.gz VAJCNHGYWSXADD-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001424180059 1012133956 /nfs/dbraw/zinc/13/39/56/1012133956.db2.gz CRDCGLCJAUDNFE-ZDUSSCGKSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445754164 1012208665 /nfs/dbraw/zinc/20/86/65/1012208665.db2.gz OXNWBPIUXPHTJL-SQWLQELKSA-N 1 3 321.469 0.739 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445754164 1012208681 /nfs/dbraw/zinc/20/86/81/1012208681.db2.gz OXNWBPIUXPHTJL-SQWLQELKSA-N 1 3 321.469 0.739 20 0 DCADHO Cn1ccnc1CNC[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001445990279 1012494522 /nfs/dbraw/zinc/49/45/22/1012494522.db2.gz RFGBYTACSBYVPG-CQSZACIVSA-N 1 3 305.426 0.500 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001429744213 1012731637 /nfs/dbraw/zinc/73/16/37/1012731637.db2.gz YYUGABCOYUUUFH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429744213 1012731644 /nfs/dbraw/zinc/73/16/44/1012731644.db2.gz YYUGABCOYUUUFH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001479108883 1017418484 /nfs/dbraw/zinc/41/84/84/1017418484.db2.gz RQWPTEJWJJDQLH-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001479108883 1017418493 /nfs/dbraw/zinc/41/84/93/1017418493.db2.gz RQWPTEJWJJDQLH-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1CCCN1CCCC1=O ZINC001479717340 1017675631 /nfs/dbraw/zinc/67/56/31/1017675631.db2.gz IKAIWPZNELEMDO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCn1cccn1 ZINC001499883688 1018117913 /nfs/dbraw/zinc/11/79/13/1018117913.db2.gz YZYMRULOBOIFQG-CABCVRRESA-N 1 3 305.426 0.558 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001480024825 1018134360 /nfs/dbraw/zinc/13/43/60/1018134360.db2.gz XQOBRHAPVQQXAN-AWEZNQCLSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001499940067 1018145819 /nfs/dbraw/zinc/14/58/19/1018145819.db2.gz WHVOBCLZPZZQNE-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001499940067 1018145823 /nfs/dbraw/zinc/14/58/23/1018145823.db2.gz WHVOBCLZPZZQNE-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001499941987 1018147716 /nfs/dbraw/zinc/14/77/16/1018147716.db2.gz PDQDBGFCPDQHFX-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001499942284 1018148583 /nfs/dbraw/zinc/14/85/83/1018148583.db2.gz XBBCZMZJEMZKPI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001499942284 1018148591 /nfs/dbraw/zinc/14/85/91/1018148591.db2.gz XBBCZMZJEMZKPI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001497485581 1018165409 /nfs/dbraw/zinc/16/54/09/1018165409.db2.gz DTFPONNGAZVIRG-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cncn1C ZINC001495057010 1018273072 /nfs/dbraw/zinc/27/30/72/1018273072.db2.gz CEBZUBPIDHARAW-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497834451 1018457832 /nfs/dbraw/zinc/45/78/32/1018457832.db2.gz CUVRSPYSWOSJGR-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001497910970 1018510615 /nfs/dbraw/zinc/51/06/15/1018510615.db2.gz QLWOWPOXUYWBLE-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001495470682 1018525203 /nfs/dbraw/zinc/52/52/03/1018525203.db2.gz SLAIIKUFBMAYRB-KKUMJFAQSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H]1CCN(C2CCC2)C1=O ZINC001480528427 1018632403 /nfs/dbraw/zinc/63/24/03/1018632403.db2.gz VZYYCYJVUAPVGN-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001495718400 1018667478 /nfs/dbraw/zinc/66/74/78/1018667478.db2.gz IFWBVCYWKISNKV-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001480595819 1018693476 /nfs/dbraw/zinc/69/34/76/1018693476.db2.gz DJJZYMIMMJYBNZ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)NC1CC1 ZINC001480664807 1018757072 /nfs/dbraw/zinc/75/70/72/1018757072.db2.gz DCOLKGSJMXOWLG-RYUDHWBXSA-N 1 3 319.409 0.057 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2cnn(C)c2)C1 ZINC001480675006 1018763991 /nfs/dbraw/zinc/76/39/91/1018763991.db2.gz CDXNGLLSIBOJDI-INIZCTEOSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)CN2CCCC2)C1 ZINC001501162023 1018928787 /nfs/dbraw/zinc/92/87/87/1018928787.db2.gz YBTRUXXBJSKDDG-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)CN2CCCC2)C1 ZINC001501162023 1018928793 /nfs/dbraw/zinc/92/87/93/1018928793.db2.gz YBTRUXXBJSKDDG-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@H](C[NH2+]CCO)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001496156485 1019121368 /nfs/dbraw/zinc/12/13/68/1019121368.db2.gz ZLAVLDCKRBCUFR-DOMZBBRYSA-N 1 3 303.422 0.628 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001498800377 1019434986 /nfs/dbraw/zinc/43/49/86/1019434986.db2.gz WYCJHLWWWGEHBF-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001493545378 1019508270 /nfs/dbraw/zinc/50/82/70/1019508270.db2.gz IUWIIDXMYIYXTP-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001493545378 1019508278 /nfs/dbraw/zinc/50/82/78/1019508278.db2.gz IUWIIDXMYIYXTP-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001493613372 1019563417 /nfs/dbraw/zinc/56/34/17/1019563417.db2.gz OHAXIZXCKXFYDZ-UHFFFAOYSA-N 1 3 305.426 0.597 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001493633000 1019578751 /nfs/dbraw/zinc/57/87/51/1019578751.db2.gz LXIBYAMWUAJJBY-CQSZACIVSA-N 1 3 321.425 0.223 20 0 DCADHO COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001502094936 1019708606 /nfs/dbraw/zinc/70/86/06/1019708606.db2.gz QFPXCEPIXSLGMQ-UONOGXRCSA-N 1 3 301.431 0.179 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC[C@H]2CCN([C@@H]3CCNC3=O)C2)CC1 ZINC001494042898 1019942136 /nfs/dbraw/zinc/94/21/36/1019942136.db2.gz MXYLZLYRJSBDEJ-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+]1CCC(C(=O)NCC[C@@H]2CCN([C@H]3CCNC3=O)C2)CC1 ZINC001494046500 1019948173 /nfs/dbraw/zinc/94/81/73/1019948173.db2.gz CNPDJKPAUFUAQF-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001494229767 1020087829 /nfs/dbraw/zinc/08/78/29/1020087829.db2.gz CCMCYTBJHZMWBA-AEGPPILISA-N 1 3 324.469 0.574 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420064688 282119581 /nfs/dbraw/zinc/11/95/81/282119581.db2.gz UNTNHASWWAWDDY-GXTWGEPZSA-N 1 3 310.442 0.030 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001645847871 1172159721 /nfs/dbraw/zinc/15/97/21/1172159721.db2.gz RMHUJFUJISEWBW-LSDHHAIUSA-N 1 3 313.490 0.557 20 0 DCADHO COCCN1CCC(NC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000178725946 198918114 /nfs/dbraw/zinc/91/81/14/198918114.db2.gz LQUITRAKACGNDM-INIZCTEOSA-N 1 3 305.422 0.956 20 0 DCADHO CN1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000162588701 291243927 /nfs/dbraw/zinc/24/39/27/291243927.db2.gz WESPXUWIKXVFRG-QGZVFWFLSA-N 1 3 316.449 0.997 20 0 DCADHO CN(C[C@@H](O)CN1CCC(CO)([NH2+]CC2CC2)CC1)C1CC1 ZINC000566306625 291292469 /nfs/dbraw/zinc/29/24/69/291292469.db2.gz UQSOIGIYBCYVEP-MRXNPFEDSA-N 1 3 311.470 0.268 20 0 DCADHO C[C@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H](CN)C1 ZINC000420330920 240021320 /nfs/dbraw/zinc/02/13/20/240021320.db2.gz ILMQTJRGNGLCFX-VHSXEESVSA-N 1 3 324.347 0.824 20 0 DCADHO C[C@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H](CN)C1 ZINC000420330920 240021326 /nfs/dbraw/zinc/02/13/26/240021326.db2.gz ILMQTJRGNGLCFX-VHSXEESVSA-N 1 3 324.347 0.824 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000423583624 240217264 /nfs/dbraw/zinc/21/72/64/240217264.db2.gz CGEKGJROPVBSCP-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO COC1CCN(C(C)(C)C[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000567161015 291340050 /nfs/dbraw/zinc/34/00/50/291340050.db2.gz IHDDDOYYWFGJLQ-HNNXBMFYSA-N 1 3 313.486 0.921 20 0 DCADHO CN1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@H](CN)C1 ZINC000567222814 291343043 /nfs/dbraw/zinc/34/30/43/291343043.db2.gz KMLKIUQFBMCVDP-OAHLLOKOSA-N 1 3 309.458 0.288 20 0 DCADHO C[C@@H](C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1)C1C[NH2+]C1 ZINC000567611744 291364716 /nfs/dbraw/zinc/36/47/16/291364716.db2.gz GZRDFUIEOXFDDG-SECBINFHSA-N 1 3 300.366 0.724 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)CC(F)(F)F)C1 ZINC000567681900 291368966 /nfs/dbraw/zinc/36/89/66/291368966.db2.gz AJIWTCYTLXMZSQ-GHMZBOCLSA-N 1 3 311.348 0.477 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)CC(F)(F)F)C1 ZINC000567681900 291368968 /nfs/dbraw/zinc/36/89/68/291368968.db2.gz AJIWTCYTLXMZSQ-GHMZBOCLSA-N 1 3 311.348 0.477 20 0 DCADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1 ZINC000567830958 291382364 /nfs/dbraw/zinc/38/23/64/291382364.db2.gz CMLUXRDONODUAR-JTQLQIEISA-N 1 3 315.381 0.486 20 0 DCADHO CO[C@@H](CN)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000567841598 291383837 /nfs/dbraw/zinc/38/38/37/291383837.db2.gz JEROOOZHIMVIJI-HNNXBMFYSA-N 1 3 320.437 0.070 20 0 DCADHO CN1CCN(CCCNC(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000567983021 291395310 /nfs/dbraw/zinc/39/53/10/291395310.db2.gz GZQINMHKYWHZDT-KRWDZBQOSA-N 1 3 318.465 0.700 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C(=O)NCCN1CCCCC1 ZINC000569925710 291503122 /nfs/dbraw/zinc/50/31/22/291503122.db2.gz RMOOKCZRWIDZHK-KEYYUXOJSA-N 1 3 322.453 0.093 20 0 DCADHO NC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000573605493 291643577 /nfs/dbraw/zinc/64/35/77/291643577.db2.gz BZMQICOSLMSANJ-GJZGRUSLSA-N 1 3 318.421 0.042 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000417559735 285022859 /nfs/dbraw/zinc/02/28/59/285022859.db2.gz AIMNDKHDIWVKNH-RRFJBIMHSA-N 1 3 312.458 0.866 20 0 DCADHO CCS(=O)(=O)N(C)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067648 253027725 /nfs/dbraw/zinc/02/77/25/253027725.db2.gz BRRTURZKPUCTCV-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO CCS(=O)(=O)N(C)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067648 253027726 /nfs/dbraw/zinc/02/77/26/253027726.db2.gz BRRTURZKPUCTCV-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000340206320 253217145 /nfs/dbraw/zinc/21/71/45/253217145.db2.gz MRJXODHPBUAWAO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340485890 253265164 /nfs/dbraw/zinc/26/51/64/253265164.db2.gz RNALJMXBYQGJJH-UKRRQHHQSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340485890 253265165 /nfs/dbraw/zinc/26/51/65/253265165.db2.gz RNALJMXBYQGJJH-UKRRQHHQSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000346715303 254088475 /nfs/dbraw/zinc/08/84/75/254088475.db2.gz TZDDGXSQAQFTRQ-DOTOQJQBSA-N 1 3 309.454 0.920 20 0 DCADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000346715303 254088477 /nfs/dbraw/zinc/08/84/77/254088477.db2.gz TZDDGXSQAQFTRQ-DOTOQJQBSA-N 1 3 309.454 0.920 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000339670099 285187480 /nfs/dbraw/zinc/18/74/80/285187480.db2.gz KOSIZEYQQFLHEM-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO COCCn1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cn1 ZINC000349059104 254271365 /nfs/dbraw/zinc/27/13/65/254271365.db2.gz BHVIUBHFPZJYMW-UHFFFAOYSA-N 1 3 323.485 0.987 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349930734 254304640 /nfs/dbraw/zinc/30/46/40/254304640.db2.gz FTQVNYOSGANUEW-KBPBESRZSA-N 1 3 310.442 0.491 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000349930734 254304641 /nfs/dbraw/zinc/30/46/41/254304641.db2.gz FTQVNYOSGANUEW-KBPBESRZSA-N 1 3 310.442 0.491 20 0 DCADHO CN(C[C@H](O)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000351722158 254362596 /nfs/dbraw/zinc/36/25/96/254362596.db2.gz WHCZNMOXJJKKOQ-YYIAUSFCSA-N 1 3 311.470 0.625 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417752909 262260484 /nfs/dbraw/zinc/26/04/84/262260484.db2.gz NMOYHRUGIKVUEL-KGLIPLIRSA-N 1 3 300.447 0.771 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000290195537 131463016 /nfs/dbraw/zinc/46/30/16/131463016.db2.gz QUVQVNDCACEAEK-AWEZNQCLSA-N 1 3 321.425 0.524 20 0 DCADHO C[C@H]1C[C@@H](NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000164199373 132131856 /nfs/dbraw/zinc/13/18/56/132131856.db2.gz CRLVDIRZVWNGJB-HOTGVXAUSA-N 1 3 318.469 0.671 20 0 DCADHO C[C@H]1C[C@@H](NCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000164199373 132131858 /nfs/dbraw/zinc/13/18/58/132131858.db2.gz CRLVDIRZVWNGJB-HOTGVXAUSA-N 1 3 318.469 0.671 20 0 DCADHO CC(C)N1CCC([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000271054128 395833927 /nfs/dbraw/zinc/83/39/27/395833927.db2.gz YKBQQXSENLXUJS-UHFFFAOYSA-N 1 3 308.426 0.389 20 0 DCADHO CC(C)N1CCC([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000271054128 395833931 /nfs/dbraw/zinc/83/39/31/395833931.db2.gz YKBQQXSENLXUJS-UHFFFAOYSA-N 1 3 308.426 0.389 20 0 DCADHO C[C@@H](CC(=O)NCCCN1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000237425390 395912582 /nfs/dbraw/zinc/91/25/82/395912582.db2.gz ZLQKHRWRDSYQQC-HNNXBMFYSA-N 1 3 310.486 0.766 20 0 DCADHO Cc1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)n(C2CCN(C)CC2)n1 ZINC000261735802 396060499 /nfs/dbraw/zinc/06/04/99/396060499.db2.gz DBIANIXJIBUCMX-KGLIPLIRSA-N 1 3 321.425 0.903 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCOCC(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000262075739 396096406 /nfs/dbraw/zinc/09/64/06/396096406.db2.gz DFNNRVRYABGCMX-QWHCGFSZSA-N 1 3 319.396 0.848 20 0 DCADHO COCCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@H]1C ZINC000278949857 396142251 /nfs/dbraw/zinc/14/22/51/396142251.db2.gz HAQOTAJQWLKESB-CHWSQXEVSA-N 1 3 321.425 0.279 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000262343778 396127805 /nfs/dbraw/zinc/12/78/05/396127805.db2.gz GLKWTLYDOKHHNT-SYAUCNOPSA-N 1 3 303.406 0.488 20 0 DCADHO CN1CCC(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000261926982 396080108 /nfs/dbraw/zinc/08/01/08/396080108.db2.gz VTYPJFPMPPPJRA-LBPRGKRZSA-N 1 3 322.375 0.281 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000279026275 396147598 /nfs/dbraw/zinc/14/75/98/396147598.db2.gz PCWKNRIGBFCYKO-QWHCGFSZSA-N 1 3 305.426 0.948 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000263266758 396210194 /nfs/dbraw/zinc/21/01/94/396210194.db2.gz VLHJNJDBQRSHHY-GUTXKFCHSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000263266758 396210198 /nfs/dbraw/zinc/21/01/98/396210198.db2.gz VLHJNJDBQRSHHY-GUTXKFCHSA-N 1 3 312.458 0.323 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074176659 396160261 /nfs/dbraw/zinc/16/02/61/396160261.db2.gz NFCFKZAMOSXHGE-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262714526 396174817 /nfs/dbraw/zinc/17/48/17/396174817.db2.gz TYGXTHUJQGTNHK-SWLSCSKDSA-N 1 3 318.421 0.347 20 0 DCADHO C[C@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262714526 396174819 /nfs/dbraw/zinc/17/48/19/396174819.db2.gz TYGXTHUJQGTNHK-SWLSCSKDSA-N 1 3 318.421 0.347 20 0 DCADHO NC(=O)c1cccnc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178978760 396216873 /nfs/dbraw/zinc/21/68/73/396216873.db2.gz DHNAHENZRGWMFY-UHFFFAOYSA-N 1 3 303.410 0.302 20 0 DCADHO CC(C)[C@@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265672263 396336246 /nfs/dbraw/zinc/33/62/46/396336246.db2.gz HNDAPSSVFKQVNW-CDBLBPSUSA-N 1 3 324.469 0.479 20 0 DCADHO CC(C)[C@@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265672263 396336247 /nfs/dbraw/zinc/33/62/47/396336247.db2.gz HNDAPSSVFKQVNW-CDBLBPSUSA-N 1 3 324.469 0.479 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000283717891 396343660 /nfs/dbraw/zinc/34/36/60/396343660.db2.gz KKAWKKJWSFBAQZ-CYBMUJFWSA-N 1 3 310.442 0.211 20 0 DCADHO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000267229195 396355369 /nfs/dbraw/zinc/35/53/69/396355369.db2.gz KSCUQKTYHXYYMH-ZDUSSCGKSA-N 1 3 305.422 0.997 20 0 DCADHO O=C(C[C@H]1CSCCN1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000515143686 396499653 /nfs/dbraw/zinc/49/96/53/396499653.db2.gz PDDJJSWPRZRDTA-SOUVJXGZSA-N 1 3 305.447 0.953 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000595298820 396581906 /nfs/dbraw/zinc/58/19/06/396581906.db2.gz SXBTWIBZOLAOIK-AWEZNQCLSA-N 1 3 311.426 0.424 20 0 DCADHO CN(C)CCN1CCC([NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000595142634 396556040 /nfs/dbraw/zinc/55/60/40/396556040.db2.gz QNWMJKWTZZNDAE-AWEZNQCLSA-N 1 3 306.458 0.540 20 0 DCADHO CCOCC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373072993 396563916 /nfs/dbraw/zinc/56/39/16/396563916.db2.gz ABHOJNKJKWUIPL-IKGGRYGDSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000581934113 396594338 /nfs/dbraw/zinc/59/43/38/396594338.db2.gz NXSQBIGIXIGKPD-ZIAGYGMSSA-N 1 3 310.442 0.032 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000531550602 396598090 /nfs/dbraw/zinc/59/80/90/396598090.db2.gz ACRNDFZUVAQFKV-KCQAQPDRSA-N 1 3 310.442 0.489 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000531550602 396598091 /nfs/dbraw/zinc/59/80/91/396598091.db2.gz ACRNDFZUVAQFKV-KCQAQPDRSA-N 1 3 310.442 0.489 20 0 DCADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000582006654 396600907 /nfs/dbraw/zinc/60/09/07/396600907.db2.gz QTDWMFYQBSDMBK-AAEUAGOBSA-N 1 3 312.439 0.533 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000582009296 396601950 /nfs/dbraw/zinc/60/19/50/396601950.db2.gz ZHAHMQHMZLHCLS-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO COC[C@@]1(CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)CCC[NH2+]1 ZINC000584829084 396626404 /nfs/dbraw/zinc/62/64/04/396626404.db2.gz SFLZDHXIFGVSRV-YOEHRIQHSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[NH2+]1 ZINC000562829686 396683904 /nfs/dbraw/zinc/68/39/04/396683904.db2.gz OFNGEZSFTPDXOK-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nccc1N1CCC[C@@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000563003331 396692555 /nfs/dbraw/zinc/69/25/55/396692555.db2.gz QRMGKWRASWHSKK-HIFRSBDPSA-N 1 3 307.442 0.434 20 0 DCADHO Cn1nccc1N1CCC[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000563003331 396692559 /nfs/dbraw/zinc/69/25/59/396692559.db2.gz QRMGKWRASWHSKK-HIFRSBDPSA-N 1 3 307.442 0.434 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)[C@H]2C1 ZINC000563086262 396701031 /nfs/dbraw/zinc/70/10/31/396701031.db2.gz FYUWUJULUPENNE-JMSVASOKSA-N 1 3 303.410 0.653 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000563202884 396713193 /nfs/dbraw/zinc/71/31/93/396713193.db2.gz HWZSALPVCDLPIC-BBRMVZONSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563209219 396713744 /nfs/dbraw/zinc/71/37/44/396713744.db2.gz RFDOWUNWCIGEET-GJZGRUSLSA-N 1 3 320.441 0.775 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563209219 396713748 /nfs/dbraw/zinc/71/37/48/396713748.db2.gz RFDOWUNWCIGEET-GJZGRUSLSA-N 1 3 320.441 0.775 20 0 DCADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1=CCN(C)CC1 ZINC000563823665 396783551 /nfs/dbraw/zinc/78/35/51/396783551.db2.gz ZYTCAKMBLFGRKY-CYBMUJFWSA-N 1 3 305.426 0.825 20 0 DCADHO CN(CCCN1C(=O)c2ccccc2C1=O)CCOCC[NH3+] ZINC000629579344 396796424 /nfs/dbraw/zinc/79/64/24/396796424.db2.gz KFEBYOJBSFTXCQ-UHFFFAOYSA-N 1 3 305.378 0.580 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000634260762 396824200 /nfs/dbraw/zinc/82/42/00/396824200.db2.gz VONAKCYXOWVRNP-MRXNPFEDSA-N 1 3 324.469 0.882 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000629804044 396841952 /nfs/dbraw/zinc/84/19/52/396841952.db2.gz RWHFGRBWDYWCIT-DZGCQCFKSA-N 1 3 322.453 0.269 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000629804044 396841959 /nfs/dbraw/zinc/84/19/59/396841959.db2.gz RWHFGRBWDYWCIT-DZGCQCFKSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000317785983 396805744 /nfs/dbraw/zinc/80/57/44/396805744.db2.gz SIQAFSDRENSJOP-RDBSUJKOSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000332635320 396890828 /nfs/dbraw/zinc/89/08/28/396890828.db2.gz QNZXSOVXFSFBRQ-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[C@H](CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)O1 ZINC000634688305 396897546 /nfs/dbraw/zinc/89/75/46/396897546.db2.gz OUUDAEMAPFPPHA-DTZQCDIJSA-N 1 3 322.453 0.774 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000611652415 396903564 /nfs/dbraw/zinc/90/35/64/396903564.db2.gz YRPKPYWJQZTAJK-VNHYZAJKSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1 ZINC000611652415 396903570 /nfs/dbraw/zinc/90/35/70/396903570.db2.gz YRPKPYWJQZTAJK-VNHYZAJKSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000569977389 396932720 /nfs/dbraw/zinc/93/27/20/396932720.db2.gz MDRXTYPTVPOGHJ-OLZOCXBDSA-N 1 3 306.414 0.102 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)[nH]1 ZINC000571402682 396947994 /nfs/dbraw/zinc/94/79/94/396947994.db2.gz XADIZTREULFJCV-NEPJUHHUSA-N 1 3 316.365 0.375 20 0 DCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1)[C@H]1CCC[NH2+]1 ZINC000572244071 397038879 /nfs/dbraw/zinc/03/88/79/397038879.db2.gz ASFCJDLEFBDANI-RRFJBIMHSA-N 1 3 322.453 0.235 20 0 DCADHO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000625866360 397020107 /nfs/dbraw/zinc/02/01/07/397020107.db2.gz IRNOQIUCOQKXKP-GFCCVEGCSA-N 1 3 306.414 0.942 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CNC(=O)C3)CC2)CC1 ZINC000572134292 397025108 /nfs/dbraw/zinc/02/51/08/397025108.db2.gz ZDSRDXMPLULNFY-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)CC[N@@H+]1C ZINC000348018944 397036043 /nfs/dbraw/zinc/03/60/43/397036043.db2.gz PSJNUJKGYVJKFN-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)CC[N@H+]1C ZINC000348018944 397036046 /nfs/dbraw/zinc/03/60/46/397036046.db2.gz PSJNUJKGYVJKFN-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000612543382 397087096 /nfs/dbraw/zinc/08/70/96/397087096.db2.gz PRATXSLHSLZZQB-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000612543382 397087097 /nfs/dbraw/zinc/08/70/97/397087097.db2.gz PRATXSLHSLZZQB-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000612546977 397088761 /nfs/dbraw/zinc/08/87/61/397088761.db2.gz XPKAOXROBMJGRF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000612546977 397088766 /nfs/dbraw/zinc/08/87/66/397088766.db2.gz XPKAOXROBMJGRF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000612546257 397089557 /nfs/dbraw/zinc/08/95/57/397089557.db2.gz QXIJFBCGFIYMPK-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000612546257 397089564 /nfs/dbraw/zinc/08/95/64/397089564.db2.gz QXIJFBCGFIYMPK-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000612549199 397091453 /nfs/dbraw/zinc/09/14/53/397091453.db2.gz VRODVSFXHJDLJH-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377577722 397105876 /nfs/dbraw/zinc/10/58/76/397105876.db2.gz WBRZUENQQZWMRE-BPUTZDHNSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377577722 397105881 /nfs/dbraw/zinc/10/58/81/397105881.db2.gz WBRZUENQQZWMRE-BPUTZDHNSA-N 1 3 322.453 0.633 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c(=O)n(C)c1=O ZINC000377889563 397158735 /nfs/dbraw/zinc/15/87/35/397158735.db2.gz PNBCSRIIBIQNIP-AWEZNQCLSA-N 1 3 320.437 0.248 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c(=O)n(C)c1=O ZINC000377889563 397158743 /nfs/dbraw/zinc/15/87/43/397158743.db2.gz PNBCSRIIBIQNIP-AWEZNQCLSA-N 1 3 320.437 0.248 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364266357 397185137 /nfs/dbraw/zinc/18/51/37/397185137.db2.gz IZJXPLLFGNXBNJ-GJZGRUSLSA-N 1 3 310.442 0.585 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364266357 397185140 /nfs/dbraw/zinc/18/51/40/397185140.db2.gz IZJXPLLFGNXBNJ-GJZGRUSLSA-N 1 3 310.442 0.585 20 0 DCADHO COC(=O)[C@H]1CNCCCN1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000592487625 397190210 /nfs/dbraw/zinc/19/02/10/397190210.db2.gz WGPQAQDNVWUSHV-GDBMZVCRSA-N 1 3 321.421 0.574 20 0 DCADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493017 397193117 /nfs/dbraw/zinc/19/31/17/397193117.db2.gz LYQYKLQRBVEEBE-MELADBBJSA-N 1 3 310.442 0.932 20 0 DCADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[NH2+]C1 ZINC000573817620 397210491 /nfs/dbraw/zinc/21/04/91/397210491.db2.gz QSQCPLVFYJJPSY-AWEZNQCLSA-N 1 3 303.410 0.959 20 0 DCADHO O[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)Cn1cccn1 ZINC000574567224 397279122 /nfs/dbraw/zinc/27/91/22/397279122.db2.gz YAIGNUSKUSCWHX-IXDOHACOSA-N 1 3 322.453 0.602 20 0 DCADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)ccc1CN(C)C ZINC000626914462 397285292 /nfs/dbraw/zinc/28/52/92/397285292.db2.gz XOFLBPABAGHPKN-CQSZACIVSA-N 1 3 304.394 0.473 20 0 DCADHO C[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)N(C)C1CC1 ZINC000592958550 397302430 /nfs/dbraw/zinc/30/24/30/397302430.db2.gz DCGGQVVQDAQHGX-NWDGAFQWSA-N 1 3 305.426 0.932 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCC[C@@H](C)C1 ZINC000420085390 397385115 /nfs/dbraw/zinc/38/51/15/397385115.db2.gz BFVCMLSNEQEIED-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000417861524 397374426 /nfs/dbraw/zinc/37/44/26/397374426.db2.gz ZLZAXXYYLMHADL-CTHBEMJXSA-N 1 3 310.442 0.759 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419783319 397383671 /nfs/dbraw/zinc/38/36/71/397383671.db2.gz VHJMNMFFYDVWAW-CQSZACIVSA-N 1 3 322.453 0.259 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000369051738 397433168 /nfs/dbraw/zinc/43/31/68/397433168.db2.gz YQHHTTGURAPKOO-OWCLPIDISA-N 1 3 322.453 0.729 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000578531455 397450113 /nfs/dbraw/zinc/45/01/13/397450113.db2.gz GRQKFHMYISGSBC-KFWWJZLASA-N 1 3 320.441 0.534 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370191632 397453206 /nfs/dbraw/zinc/45/32/06/397453206.db2.gz DNTCYWYZBGFAHZ-INIZCTEOSA-N 1 3 309.385 0.945 20 0 DCADHO CN1CCN(CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621646644 397407425 /nfs/dbraw/zinc/40/74/25/397407425.db2.gz ZNOSBNAGAWUNJV-MRXNPFEDSA-N 1 3 310.486 0.910 20 0 DCADHO CN(C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[NH+](C)C)CC1 ZINC000480194168 397459483 /nfs/dbraw/zinc/45/94/83/397459483.db2.gz FNWOMDRJBRRULJ-HDJSIYSDSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000487475364 397472950 /nfs/dbraw/zinc/47/29/50/397472950.db2.gz OVODMSZADOOOTR-FMKPAKJESA-N 1 3 309.454 0.896 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000487475364 397472956 /nfs/dbraw/zinc/47/29/56/397472956.db2.gz OVODMSZADOOOTR-FMKPAKJESA-N 1 3 309.454 0.896 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000487501747 397474846 /nfs/dbraw/zinc/47/48/46/397474846.db2.gz OVODMSZADOOOTR-YCPHGPKFSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000487501747 397474851 /nfs/dbraw/zinc/47/48/51/397474851.db2.gz OVODMSZADOOOTR-YCPHGPKFSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000605964008 397675542 /nfs/dbraw/zinc/67/55/42/397675542.db2.gz VYNHTPVEECKDCC-OAHLLOKOSA-N 1 3 313.490 0.653 20 0 DCADHO COC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCOC1 ZINC001647412595 1172869283 /nfs/dbraw/zinc/86/92/83/1172869283.db2.gz NRJSSCAIVOZIHV-ZNMIVQPWSA-N 1 3 313.442 0.215 20 0 DCADHO C[C@@H]1CN(C(=O)/C=C/C[NH+](C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000371355877 296769081 /nfs/dbraw/zinc/76/90/81/296769081.db2.gz SOTFDNFAYCMESV-QDNWOOLPSA-N 1 3 308.470 0.589 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000366993681 159302763 /nfs/dbraw/zinc/30/27/63/159302763.db2.gz MLRHEQHBZAHPPB-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000372423157 159623075 /nfs/dbraw/zinc/62/30/75/159623075.db2.gz VWVCUCVHTKYFBV-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO O=C(CN1CCCC1)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000153483555 287050712 /nfs/dbraw/zinc/05/07/12/287050712.db2.gz VFRIPXBAVSWPEE-UHFFFAOYSA-N 1 3 308.470 0.712 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000248907164 287103103 /nfs/dbraw/zinc/10/31/03/287103103.db2.gz BIIUZUPPYYHVPV-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000248907164 287103105 /nfs/dbraw/zinc/10/31/05/287103105.db2.gz BIIUZUPPYYHVPV-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO CC[C@@H](C)N[C@H](CNC(=O)N(CC[NH3+])CCO)c1ccco1 ZINC000418171438 287239748 /nfs/dbraw/zinc/23/97/48/287239748.db2.gz UTHGPMVZAMSBRI-CHWSQXEVSA-N 1 3 312.414 0.671 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000419046193 287263866 /nfs/dbraw/zinc/26/38/66/287263866.db2.gz PINQFUGUDDGXPX-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419145993 287267274 /nfs/dbraw/zinc/26/72/74/287267274.db2.gz HCVJHMGFXRZFFW-KFWWJZLASA-N 1 3 324.469 0.467 20 0 DCADHO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419223778 287274712 /nfs/dbraw/zinc/27/47/12/287274712.db2.gz DMCVKSWGAJXNOJ-JSGCOSHPSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000420294465 287286616 /nfs/dbraw/zinc/28/66/16/287286616.db2.gz SVLUHKJFXZZEAT-HOTGVXAUSA-N 1 3 304.438 0.829 20 0 DCADHO CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335917 287291226 /nfs/dbraw/zinc/29/12/26/287291226.db2.gz IBLNBSGQAUKKNN-MJBXVCDLSA-N 1 3 310.442 0.931 20 0 DCADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NCC(F)(F)F ZINC000420340999 287292358 /nfs/dbraw/zinc/29/23/58/287292358.db2.gz POVQDHCUHXKSRA-AOOOYVTPSA-N 1 3 322.331 0.306 20 0 DCADHO CC(C)CNC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345376 287292946 /nfs/dbraw/zinc/29/29/46/287292946.db2.gz WAPDLFIEPPCFDS-KGLIPLIRSA-N 1 3 310.442 0.790 20 0 DCADHO NC(=O)CNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422892835 287301899 /nfs/dbraw/zinc/30/18/99/287301899.db2.gz NXSKXNWODQZFAK-GJZGRUSLSA-N 1 3 318.421 0.651 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000342765463 415286152 /nfs/dbraw/zinc/28/61/52/415286152.db2.gz OOCQNKJUGIZUSQ-AWEZNQCLSA-N 1 3 311.426 0.744 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000332568326 415415824 /nfs/dbraw/zinc/41/58/24/415415824.db2.gz VGRNNKJQPFSMOP-BYNSBNAKSA-N 1 3 322.453 0.458 20 0 DCADHO CN1CCC[C@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000073216589 415420574 /nfs/dbraw/zinc/42/05/74/415420574.db2.gz PZBXGWVWBXSYRK-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000343208521 415502403 /nfs/dbraw/zinc/50/24/03/415502403.db2.gz DBPAQZZHTMHGDN-HZPDHXFCSA-N 1 3 306.454 0.463 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NCCN1CCC(C)CC1 ZINC000077804015 415461483 /nfs/dbraw/zinc/46/14/83/415461483.db2.gz GNCKTHLFYFKIPE-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NCCN1CCC(C)CC1 ZINC000077804015 415461491 /nfs/dbraw/zinc/46/14/91/415461491.db2.gz GNCKTHLFYFKIPE-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO NC(C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000353427996 415538000 /nfs/dbraw/zinc/53/80/00/415538000.db2.gz MIFFTJHSWCZZMC-LBPRGKRZSA-N 1 3 323.359 0.979 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000343301133 415540610 /nfs/dbraw/zinc/54/06/10/415540610.db2.gz QJZGDCGQJRSONP-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000343301133 415540619 /nfs/dbraw/zinc/54/06/19/415540619.db2.gz QJZGDCGQJRSONP-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343302572 415544362 /nfs/dbraw/zinc/54/43/62/415544362.db2.gz RKQSVMAFGFYZKA-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343313716 415553122 /nfs/dbraw/zinc/55/31/22/415553122.db2.gz SKZPXSQQLSSVCB-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343313716 415553126 /nfs/dbraw/zinc/55/31/26/415553126.db2.gz SKZPXSQQLSSVCB-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)C1(C(=O)NC[C@H](C)N(C)C)CCC1)[NH+](C)C ZINC000353488247 415565541 /nfs/dbraw/zinc/56/55/41/415565541.db2.gz CTFPOOFDGGJQRN-BETUJISGSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)C1(C(=O)NC[C@H](C)[NH+](C)C)CCC1)N(C)C ZINC000353488247 415565551 /nfs/dbraw/zinc/56/55/51/415565551.db2.gz CTFPOOFDGGJQRN-BETUJISGSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]1 ZINC000333156321 415573516 /nfs/dbraw/zinc/57/35/16/415573516.db2.gz FSOWBONAYRYTLC-DYEKYZERSA-N 1 3 300.472 0.863 20 0 DCADHO CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121233 415606647 /nfs/dbraw/zinc/60/66/47/415606647.db2.gz RETWWQVTJFBINY-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121233 415606654 /nfs/dbraw/zinc/60/66/54/415606654.db2.gz RETWWQVTJFBINY-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COc2ccccc2O1 ZINC000103211698 415611985 /nfs/dbraw/zinc/61/19/85/415611985.db2.gz PJMNRCFRJVFZHZ-INIZCTEOSA-N 1 3 321.421 0.778 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000103211550 415614232 /nfs/dbraw/zinc/61/42/32/415614232.db2.gz GBRVVCQYTONHRO-UHFFFAOYSA-N 1 3 307.394 0.981 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@]3(C)CCC[NH2+]C3)C[C@H]2N)cn1 ZINC000333465819 415659139 /nfs/dbraw/zinc/65/91/39/415659139.db2.gz HJKVHDTWVQARIS-LZWOXQAQSA-N 1 3 320.441 0.246 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333586583 415690891 /nfs/dbraw/zinc/69/08/91/415690891.db2.gz OCWQJLNTWVASFG-OAHLLOKOSA-N 1 3 324.469 0.738 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333586583 415690897 /nfs/dbraw/zinc/69/08/97/415690897.db2.gz OCWQJLNTWVASFG-OAHLLOKOSA-N 1 3 324.469 0.738 20 0 DCADHO O=C(N[C@H]1CCN2CCCC[C@H]12)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343786701 415727284 /nfs/dbraw/zinc/72/72/84/415727284.db2.gz RNBUJNAYHAPTGF-OLMTUDMXSA-N 1 3 305.422 0.544 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000353954152 415702593 /nfs/dbraw/zinc/70/25/93/415702593.db2.gz IXMSJDOCNIJFEW-RDBSUJKOSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000353954152 415702596 /nfs/dbraw/zinc/70/25/96/415702596.db2.gz IXMSJDOCNIJFEW-RDBSUJKOSA-N 1 3 303.472 0.730 20 0 DCADHO CC[NH+](CC)CCOC1CCN(CCN2CCNC2=O)CC1 ZINC000343753627 415713982 /nfs/dbraw/zinc/71/39/82/415713982.db2.gz IZHIDUUGDJLLDO-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343977667 415805306 /nfs/dbraw/zinc/80/53/06/415805306.db2.gz JWXGPPJQVNMGKS-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343977667 415805316 /nfs/dbraw/zinc/80/53/16/415805316.db2.gz JWXGPPJQVNMGKS-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000343976442 415807529 /nfs/dbraw/zinc/80/75/29/415807529.db2.gz JQVNPGKNZRLMPU-IRXDYDNUSA-N 1 3 320.481 0.757 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000343976442 415807536 /nfs/dbraw/zinc/80/75/36/415807536.db2.gz JQVNPGKNZRLMPU-IRXDYDNUSA-N 1 3 320.481 0.757 20 0 DCADHO CN1CCC(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000344387027 415902500 /nfs/dbraw/zinc/90/25/00/415902500.db2.gz FFPPEUXXGVRBDK-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H]1CCCOC1 ZINC000356852403 415997146 /nfs/dbraw/zinc/99/71/46/415997146.db2.gz RMAYTTDYLRVRCH-SJORKVTESA-N 1 3 313.486 0.781 20 0 DCADHO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000345165974 416055153 /nfs/dbraw/zinc/05/51/53/416055153.db2.gz ZYIXBDSFTPZZDG-UONOGXRCSA-N 1 3 305.488 0.978 20 0 DCADHO CC(C)N1CCC([N@H+](C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000338234947 416063265 /nfs/dbraw/zinc/06/32/65/416063265.db2.gz JNZVLJRUJPXLQE-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)N1CCC([N@@H+](C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000338234947 416063270 /nfs/dbraw/zinc/06/32/70/416063270.db2.gz JNZVLJRUJPXLQE-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N2CCN(C)CC2)CC1 ZINC000338234947 416063272 /nfs/dbraw/zinc/06/32/72/416063272.db2.gz JNZVLJRUJPXLQE-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@H+](CCNC(=O)NC1CCN(CCOC)CC1)C1CC1 ZINC000171194190 416037708 /nfs/dbraw/zinc/03/77/08/416037708.db2.gz OOLHYCUFMNRMKR-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@@H+](CCNC(=O)NC1CCN(CCOC)CC1)C1CC1 ZINC000171194190 416037712 /nfs/dbraw/zinc/03/77/12/416037712.db2.gz OOLHYCUFMNRMKR-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CC[NH+]1CCN(CCC(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000338055936 416039093 /nfs/dbraw/zinc/03/90/93/416039093.db2.gz OBSQBMQPUVFDFB-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO Cn1nccc1CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000322749470 416120038 /nfs/dbraw/zinc/12/00/38/416120038.db2.gz CAAVHYRISMQLMN-ZBFHGGJFSA-N 1 3 319.453 0.543 20 0 DCADHO CCN1C[C@H](C)N(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@@H]1C ZINC000345731514 416140247 /nfs/dbraw/zinc/14/02/47/416140247.db2.gz HQGKKYQDTZKOLT-KKUMJFAQSA-N 1 3 312.458 0.831 20 0 DCADHO CCN1C[C@H](C)N(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@@H]1C ZINC000345731514 416140250 /nfs/dbraw/zinc/14/02/50/416140250.db2.gz HQGKKYQDTZKOLT-KKUMJFAQSA-N 1 3 312.458 0.831 20 0 DCADHO CCN1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@@H]1C ZINC000345731516 416140618 /nfs/dbraw/zinc/14/06/18/416140618.db2.gz HQGKKYQDTZKOLT-SOUVJXGZSA-N 1 3 312.458 0.831 20 0 DCADHO CCN1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@@H]1C ZINC000345731516 416140620 /nfs/dbraw/zinc/14/06/20/416140620.db2.gz HQGKKYQDTZKOLT-SOUVJXGZSA-N 1 3 312.458 0.831 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000177463690 416146188 /nfs/dbraw/zinc/14/61/88/416146188.db2.gz XJMSIKVRRIGUHU-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[C@@H]1c1cccs1 ZINC000357921537 416153056 /nfs/dbraw/zinc/15/30/56/416153056.db2.gz MPYWOYRDRMYVRI-GUIRCDHDSA-N 1 3 323.462 0.970 20 0 DCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCOCCN(C)C ZINC000345936916 416170733 /nfs/dbraw/zinc/17/07/33/416170733.db2.gz RBLMAUNVTCCKFX-HNNXBMFYSA-N 1 3 315.458 0.474 20 0 DCADHO CN1CCN(c2ncc(CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)cn2)CC1 ZINC000329601626 416180242 /nfs/dbraw/zinc/18/02/42/416180242.db2.gz QIPHTDAVLYDRPV-XHSDSOJGSA-N 1 3 317.437 0.431 20 0 DCADHO CN1CCN(c2ncc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)cn2)CC1 ZINC000329601626 416180246 /nfs/dbraw/zinc/18/02/46/416180246.db2.gz QIPHTDAVLYDRPV-XHSDSOJGSA-N 1 3 317.437 0.431 20 0 DCADHO CN1CCN(c2ncc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)cn2)CC1 ZINC000329601626 416180249 /nfs/dbraw/zinc/18/02/49/416180249.db2.gz QIPHTDAVLYDRPV-XHSDSOJGSA-N 1 3 317.437 0.431 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000340511812 416189922 /nfs/dbraw/zinc/18/99/22/416189922.db2.gz RVLMUWDALAHSJO-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000340511812 416189925 /nfs/dbraw/zinc/18/99/25/416189925.db2.gz RVLMUWDALAHSJO-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCO)CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358258430 416217789 /nfs/dbraw/zinc/21/77/89/416217789.db2.gz APYJPEJBUYSDIB-UHFFFAOYSA-N 1 3 314.474 0.722 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000348105917 416232449 /nfs/dbraw/zinc/23/24/49/416232449.db2.gz GKUPKUGYTJLFFR-HRCADAONSA-N 1 3 324.469 0.975 20 0 DCADHO CN1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000339490592 416160373 /nfs/dbraw/zinc/16/03/73/416160373.db2.gz YBLWLNUJZFXCOT-UHFFFAOYSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N1CCC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358503197 416244638 /nfs/dbraw/zinc/24/46/38/416244638.db2.gz XLVKMRUIBBCWST-BBWFWOEESA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)N1CCC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358503197 416244641 /nfs/dbraw/zinc/24/46/41/416244641.db2.gz XLVKMRUIBBCWST-BBWFWOEESA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CN2CCC(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000358531054 416252281 /nfs/dbraw/zinc/25/22/81/416252281.db2.gz UGMUHAQBADNYIO-INMHGKMJSA-N 1 3 313.486 0.730 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1(C)C ZINC000188145838 416262733 /nfs/dbraw/zinc/26/27/33/416262733.db2.gz LQJKSELKMUGBKR-LRDDRELGSA-N 1 3 323.441 0.916 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000331462781 416316592 /nfs/dbraw/zinc/31/65/92/416316592.db2.gz NDPNHWJTJGAFIT-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000358868929 416287810 /nfs/dbraw/zinc/28/78/10/416287810.db2.gz WYYZEOKLYCPGPZ-GJZGRUSLSA-N 1 3 309.385 0.705 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CCC[NH3+])c1 ZINC000263286223 416337698 /nfs/dbraw/zinc/33/76/98/416337698.db2.gz UTFAUWUMEJCPFQ-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO CN1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000359376049 416343780 /nfs/dbraw/zinc/34/37/80/416343780.db2.gz RBXDJIOJMCOKQM-UHFFFAOYSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420064917 416416658 /nfs/dbraw/zinc/41/66/58/416416658.db2.gz PEEZEHQIJARZPK-ILXRZTDVSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)CN1Cc1ccccc1 ZINC000417878957 416384843 /nfs/dbraw/zinc/38/48/43/416384843.db2.gz RCJMMMTXBOXDKK-ZBFHGGJFSA-N 1 3 320.437 0.612 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418442296 416386956 /nfs/dbraw/zinc/38/69/56/416386956.db2.gz JRAJLSNBQIKVII-ZIAGYGMSSA-N 1 3 300.447 0.650 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419433962 416401566 /nfs/dbraw/zinc/40/15/66/416401566.db2.gz ZUFWXMRTEIKKBL-MJBXVCDLSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419433962 416401567 /nfs/dbraw/zinc/40/15/67/416401567.db2.gz ZUFWXMRTEIKKBL-MJBXVCDLSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419416014 416401791 /nfs/dbraw/zinc/40/17/91/416401791.db2.gz VQQIFTGGYMTOIO-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419689917 416405337 /nfs/dbraw/zinc/40/53/37/416405337.db2.gz CUVJFRPRCILPHH-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](NCC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423171223 416473033 /nfs/dbraw/zinc/47/30/33/416473033.db2.gz NPUSVCUAFKPQQP-CVEARBPZSA-N 1 3 310.486 0.513 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CN1C1CC1 ZINC000458532554 416477912 /nfs/dbraw/zinc/47/79/12/416477912.db2.gz WTSSEXOZTROUEF-FMKPAKJESA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CN1C1CC1 ZINC000458532554 416477917 /nfs/dbraw/zinc/47/79/17/416477917.db2.gz WTSSEXOZTROUEF-FMKPAKJESA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458553146 416481918 /nfs/dbraw/zinc/48/19/18/416481918.db2.gz KSEOKLASVQHSIF-KBMXLJTQSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458553146 416481921 /nfs/dbraw/zinc/48/19/21/416481921.db2.gz KSEOKLASVQHSIF-KBMXLJTQSA-N 1 3 324.469 0.615 20 0 DCADHO Cn1ncc2c1CCC[C@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000361174538 416424455 /nfs/dbraw/zinc/42/44/55/416424455.db2.gz YRUNXGSFIOXPAM-UKRRQHHQSA-N 1 3 319.453 0.975 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422379321 416428453 /nfs/dbraw/zinc/42/84/53/416428453.db2.gz POSMJAYKPLUXQO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422379321 416428455 /nfs/dbraw/zinc/42/84/55/416428455.db2.gz POSMJAYKPLUXQO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422484567 416433894 /nfs/dbraw/zinc/43/38/94/416433894.db2.gz CPGRYKQMNZLTLK-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422484567 416433895 /nfs/dbraw/zinc/43/38/95/416433895.db2.gz CPGRYKQMNZLTLK-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422939123 416450600 /nfs/dbraw/zinc/45/06/00/416450600.db2.gz QUIMZRKEFSMEMB-UKRRQHHQSA-N 1 3 311.451 0.990 20 0 DCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCN1CCOCC1 ZINC000436053292 416546039 /nfs/dbraw/zinc/54/60/39/416546039.db2.gz FHOJXFKFXFMOOE-OAHLLOKOSA-N 1 3 312.458 0.028 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@@H]1CN ZINC000423717953 416548649 /nfs/dbraw/zinc/54/86/49/416548649.db2.gz BLABSJWWSLUBCM-CKEIUWERSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@@H]1CN ZINC000423717953 416548651 /nfs/dbraw/zinc/54/86/51/416548651.db2.gz BLABSJWWSLUBCM-CKEIUWERSA-N 1 3 322.453 0.126 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000423740720 416553658 /nfs/dbraw/zinc/55/36/58/416553658.db2.gz GXZGTWLJJWRAFY-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnccc1N ZINC000423400852 416504541 /nfs/dbraw/zinc/50/45/41/416504541.db2.gz VHPWYIKOCPTZOR-GXFFZTMASA-N 1 3 317.359 0.981 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423440884 416510819 /nfs/dbraw/zinc/51/08/19/416510819.db2.gz XRHDRQXREBPHKZ-BZUAXINKSA-N 1 3 312.502 0.996 20 0 DCADHO COc1ccc([C@H](NC[C@@H]2CNCCN2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423485532 416517185 /nfs/dbraw/zinc/51/71/85/416517185.db2.gz AVLICDHOTROVND-JQHSSLGASA-N 1 3 318.465 0.982 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N(C)C ZINC000459041553 416519269 /nfs/dbraw/zinc/51/92/69/416519269.db2.gz OARDQZFKJVOFOH-UONOGXRCSA-N 1 3 300.447 0.329 20 0 DCADHO CN1CC[C@@H]2OCCN(C(=O)[C@@H](C[NH3+])c3ccccc3)[C@H]2C1 ZINC000423930292 416592706 /nfs/dbraw/zinc/59/27/06/416592706.db2.gz KFIBELFRSUGGNH-JYJNAYRXSA-N 1 3 303.406 0.660 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000364850516 416594575 /nfs/dbraw/zinc/59/45/75/416594575.db2.gz LWDQCCKMLIDJEM-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)Nc2ccn(CCN(C)C)n2)CC[N@@H+]1C ZINC000438704493 416602248 /nfs/dbraw/zinc/60/22/48/416602248.db2.gz CIWLVFSELJLGCL-STQMWFEESA-N 1 3 308.430 1.049 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)Nc2ccn(CCN(C)C)n2)CC[N@H+]1C ZINC000438704493 416602251 /nfs/dbraw/zinc/60/22/51/416602251.db2.gz CIWLVFSELJLGCL-STQMWFEESA-N 1 3 308.430 1.049 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)C[C@H]1c1cccc(F)c1 ZINC000424008626 416604847 /nfs/dbraw/zinc/60/48/47/416604847.db2.gz INROBRNKYPPQBU-HRCADAONSA-N 1 3 321.396 0.847 20 0 DCADHO N[C@@H]1Cc2ccccc2N(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424069770 416608977 /nfs/dbraw/zinc/60/89/77/416608977.db2.gz CEFGEIGKLOJGQH-KGLIPLIRSA-N 1 3 316.405 0.161 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000541791131 416612906 /nfs/dbraw/zinc/61/29/06/416612906.db2.gz ZILUDNCXCWYENF-UHFFFAOYSA-N 1 3 320.397 0.000 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000539902990 416585966 /nfs/dbraw/zinc/58/59/66/416585966.db2.gz AQEZIGMXXLTFDY-KGLIPLIRSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424137257 416615920 /nfs/dbraw/zinc/61/59/20/416615920.db2.gz BVRRZYJNYKQNCT-RDBSUJKOSA-N 1 3 318.425 0.511 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424521592 416659990 /nfs/dbraw/zinc/65/99/90/416659990.db2.gz LZPHNJSRWKLXPT-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO COCCN(C)C[C@H](O)Cn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000641224869 416742948 /nfs/dbraw/zinc/74/29/48/416742948.db2.gz YDYLZCGPWILJJR-HNNXBMFYSA-N 1 3 319.409 0.343 20 0 DCADHO O=C1N[C@@H]2CN(C[C@H]3CCCCO3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000631828269 416753199 /nfs/dbraw/zinc/75/31/99/416753199.db2.gz KJSFCQHJADNJSH-BZUAXINKSA-N 1 3 322.453 0.776 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000614853740 416715221 /nfs/dbraw/zinc/71/52/21/416715221.db2.gz HITXDQYUSOAQGZ-CVEARBPZSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000614853740 416715226 /nfs/dbraw/zinc/71/52/26/416715226.db2.gz HITXDQYUSOAQGZ-CVEARBPZSA-N 1 3 320.437 0.332 20 0 DCADHO COCCN1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000442868553 416716602 /nfs/dbraw/zinc/71/66/02/416716602.db2.gz GPNURAKTUIEIRK-UHFFFAOYSA-N 1 3 312.502 0.713 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](C2CC2)CC1 ZINC000369028294 416716732 /nfs/dbraw/zinc/71/67/32/416716732.db2.gz WBNFOEFYCYCQSL-HOTGVXAUSA-N 1 3 322.453 0.776 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000516561569 416726075 /nfs/dbraw/zinc/72/60/75/416726075.db2.gz AVNHTQKKXDPOKZ-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000557246432 416729531 /nfs/dbraw/zinc/72/95/31/416729531.db2.gz GXWIAGFEUPVCBR-CQSZACIVSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631905249 416789595 /nfs/dbraw/zinc/78/95/95/416789595.db2.gz IRHVARQTVGIIQE-ZIAGYGMSSA-N 1 3 303.472 0.861 20 0 DCADHO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)C(F)F ZINC000518531873 416863221 /nfs/dbraw/zinc/86/32/21/416863221.db2.gz GCUJELFWKVETJL-NEPJUHHUSA-N 1 3 305.369 0.729 20 0 DCADHO Nc1cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000563152705 416875486 /nfs/dbraw/zinc/87/54/86/416875486.db2.gz WQGQZDXQTQNJTD-GJZGRUSLSA-N 1 3 317.437 0.744 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000444267824 416826354 /nfs/dbraw/zinc/82/63/54/416826354.db2.gz QROBDIFVGCPPKM-SJORKVTESA-N 1 3 316.449 0.843 20 0 DCADHO C[C@@H]1CCN(S(=O)(=O)CCCN2CCCC2)[C@H](C[NH3+])C1 ZINC000631952000 416830433 /nfs/dbraw/zinc/83/04/33/416830433.db2.gz VRXYNXSMLQNLDZ-KGLIPLIRSA-N 1 3 303.472 0.861 20 0 DCADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369930273 416850150 /nfs/dbraw/zinc/85/01/50/416850150.db2.gz MBZLGEHZILQUTL-CABCVRRESA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)CC[NH2+]C3CC3)C2)CC1 ZINC000519716159 416930955 /nfs/dbraw/zinc/93/09/55/416930955.db2.gz WSZFAWNVNFLERG-INIZCTEOSA-N 1 3 308.470 0.755 20 0 DCADHO COC[C@@]1(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)CCC[NH2+]1 ZINC000521591170 417017961 /nfs/dbraw/zinc/01/79/61/417017961.db2.gz QIGBIELNWHYVNC-HOTGVXAUSA-N 1 3 310.442 0.492 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(c2ccncc2)CC1 ZINC000642006608 417020903 /nfs/dbraw/zinc/02/09/03/417020903.db2.gz UUMWDMHYVJQSSK-HNNXBMFYSA-N 1 3 319.409 0.292 20 0 DCADHO CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000521005262 416986889 /nfs/dbraw/zinc/98/68/89/416986889.db2.gz TUEPKDJKVHQBBM-CABCVRRESA-N 1 3 311.474 0.406 20 0 DCADHO CN(C)CC[N@H+](C)CCCNCc1cc2c(cn1)OCCO2 ZINC000641776323 416998068 /nfs/dbraw/zinc/99/80/68/416998068.db2.gz YGIAQVFRRFFBNH-UHFFFAOYSA-N 1 3 308.426 0.826 20 0 DCADHO CN(C)CC[N@@H+](C)CCCNCc1cc2c(cn1)OCCO2 ZINC000641776323 416998074 /nfs/dbraw/zinc/99/80/74/416998074.db2.gz YGIAQVFRRFFBNH-UHFFFAOYSA-N 1 3 308.426 0.826 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000521231466 417000501 /nfs/dbraw/zinc/00/05/01/417000501.db2.gz NRSFBGRAEKFDBN-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)C(C)(C)n1cncn1 ZINC000565711386 417007931 /nfs/dbraw/zinc/00/79/31/417007931.db2.gz YOWUGUMABHTDQU-LLVKDONJSA-N 1 3 318.429 0.777 20 0 DCADHO C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1)C(C)(C)n1cncn1 ZINC000565711386 417007938 /nfs/dbraw/zinc/00/79/38/417007938.db2.gz YOWUGUMABHTDQU-LLVKDONJSA-N 1 3 318.429 0.777 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)[C@H](C)C1 ZINC000624335507 417008707 /nfs/dbraw/zinc/00/87/07/417008707.db2.gz UBULBFFZSBKUIJ-IXDOHACOSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CC[C@H](O)C2)[C@H](C)C1 ZINC000624335507 417008715 /nfs/dbraw/zinc/00/87/15/417008715.db2.gz UBULBFFZSBKUIJ-IXDOHACOSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CC[C@H](O)C2)[C@H](C)C1 ZINC000624335507 417008721 /nfs/dbraw/zinc/00/87/21/417008721.db2.gz UBULBFFZSBKUIJ-IXDOHACOSA-N 1 3 313.486 0.780 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000389971339 417099630 /nfs/dbraw/zinc/09/96/30/417099630.db2.gz CEDJVJRKILGUFW-RDJZCZTQSA-N 1 3 316.449 0.528 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785760 417100115 /nfs/dbraw/zinc/10/01/15/417100115.db2.gz HVVXUZFTTMXUGH-KBPBESRZSA-N 1 3 310.442 0.221 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCCC1 ZINC000642785852 417101100 /nfs/dbraw/zinc/10/11/00/417101100.db2.gz NWDITAUNYWBYNE-AWEZNQCLSA-N 1 3 322.453 0.365 20 0 DCADHO C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632366934 417048687 /nfs/dbraw/zinc/04/86/87/417048687.db2.gz CFUMHCCSQHOBJG-KGLIPLIRSA-N 1 3 303.472 0.827 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000642439351 417052158 /nfs/dbraw/zinc/05/21/58/417052158.db2.gz CEGKOJUZAIVGRR-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(C1)CCCO2 ZINC000637266439 417054922 /nfs/dbraw/zinc/05/49/22/417054922.db2.gz XNAJGKDIFGNVEP-AWEZNQCLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(C1)CCCO2 ZINC000637266439 417054930 /nfs/dbraw/zinc/05/49/30/417054930.db2.gz XNAJGKDIFGNVEP-AWEZNQCLSA-N 1 3 312.458 0.833 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[C@H]1[NH3+] ZINC000642785988 417102791 /nfs/dbraw/zinc/10/27/91/417102791.db2.gz WBRLSEDFXGXADF-RBSFLKMASA-N 1 3 322.453 0.173 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000430784510 417067174 /nfs/dbraw/zinc/06/71/74/417067174.db2.gz HMBONTHDMZIDNL-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO COc1cnccc1N1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637317207 417069633 /nfs/dbraw/zinc/06/96/33/417069633.db2.gz MNVRDUHFBOXJIV-UHFFFAOYSA-N 1 3 319.409 0.674 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000642732155 417084498 /nfs/dbraw/zinc/08/44/98/417084498.db2.gz HZJXNVFZTLPUQU-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642809782 417107527 /nfs/dbraw/zinc/10/75/27/417107527.db2.gz SRZVNWXMFZHMCR-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642809785 417107948 /nfs/dbraw/zinc/10/79/48/417107948.db2.gz TWQYYYNWIYKCQG-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000568248747 417112011 /nfs/dbraw/zinc/11/20/11/417112011.db2.gz ZGNAHPXISGDECA-CVEARBPZSA-N 1 3 308.470 0.790 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642910566 417121870 /nfs/dbraw/zinc/12/18/70/417121870.db2.gz JBSMVLLBZHCPCP-DZGCQCFKSA-N 1 3 318.421 0.183 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000642969041 417134546 /nfs/dbraw/zinc/13/45/46/417134546.db2.gz DHWHFYXCVSCHPU-LSDHHAIUSA-N 1 3 324.469 0.609 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000642988258 417138548 /nfs/dbraw/zinc/13/85/48/417138548.db2.gz SFIZTWSJJUYSQF-KBPBESRZSA-N 1 3 312.458 0.609 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000642985924 417139173 /nfs/dbraw/zinc/13/91/73/417139173.db2.gz PVMPVGNVLKLSHD-XGUBFFRZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449320809 417140604 /nfs/dbraw/zinc/14/06/04/417140604.db2.gz PWWOFWSQVHKBHU-UONOGXRCSA-N 1 3 320.441 0.634 20 0 DCADHO CC1CCN(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000449317606 417140862 /nfs/dbraw/zinc/14/08/62/417140862.db2.gz CRESACVMOHPPIW-CQSZACIVSA-N 1 3 320.441 0.492 20 0 DCADHO COCCN(C)CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449338470 417141100 /nfs/dbraw/zinc/14/11/00/417141100.db2.gz GSORJDOOASRGDK-KRWDZBQOSA-N 1 3 305.422 0.612 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000642990335 417142340 /nfs/dbraw/zinc/14/23/40/417142340.db2.gz ACHWXNVLFQJVQC-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449749265 417174153 /nfs/dbraw/zinc/17/41/53/417174153.db2.gz OYKPBNWGMLMCFV-CABCVRRESA-N 1 3 307.438 0.842 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000643373872 417184835 /nfs/dbraw/zinc/18/48/35/417184835.db2.gz XRSBBOMEZNDNTM-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000411025477 417186199 /nfs/dbraw/zinc/18/61/99/417186199.db2.gz MLVIKYZONCSPSA-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637813981 417194593 /nfs/dbraw/zinc/19/45/93/417194593.db2.gz HJOALEZAVSQXFX-HZPDHXFCSA-N 1 3 304.438 0.562 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000617349500 417205144 /nfs/dbraw/zinc/20/51/44/417205144.db2.gz PZOHHCXBBSEVLM-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000617349500 417205149 /nfs/dbraw/zinc/20/51/49/417205149.db2.gz PZOHHCXBBSEVLM-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637858829 417210956 /nfs/dbraw/zinc/21/09/56/417210956.db2.gz OZRIWXLMCOFMBD-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CCO1 ZINC000637864904 417214779 /nfs/dbraw/zinc/21/47/79/417214779.db2.gz AECVMXBJHNOIHY-NUEKZKHPSA-N 1 3 320.437 0.020 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC[C@H]1[NH3+] ZINC000643500336 417227338 /nfs/dbraw/zinc/22/73/38/417227338.db2.gz FPKGUJSEXMUADR-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414707637 417294470 /nfs/dbraw/zinc/29/44/70/417294470.db2.gz MXNMUOSFPPYGIJ-MGPQQGTHSA-N 1 3 303.472 0.777 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627117869 417241179 /nfs/dbraw/zinc/24/11/79/417241179.db2.gz YEYKKFXGERWVAK-HOTGVXAUSA-N 1 3 324.469 0.879 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000643552779 417244080 /nfs/dbraw/zinc/24/40/80/417244080.db2.gz GVBJDCKFQGARNZ-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643558702 417244882 /nfs/dbraw/zinc/24/48/82/417244882.db2.gz SPLHTFCDVVJZTO-RHSMWYFYSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643591603 417251160 /nfs/dbraw/zinc/25/11/60/417251160.db2.gz SPYLSEZTPRXBLT-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433375927 417260513 /nfs/dbraw/zinc/26/05/13/417260513.db2.gz MWCVUMBCVHAMSY-STQMWFEESA-N 1 3 306.414 0.369 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000638157871 417360332 /nfs/dbraw/zinc/36/03/32/417360332.db2.gz GGHFDHRPCHDDNR-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000638157871 417360338 /nfs/dbraw/zinc/36/03/38/417360338.db2.gz GGHFDHRPCHDDNR-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1CC[NH+](C)CC1 ZINC000638050672 417298386 /nfs/dbraw/zinc/29/83/86/417298386.db2.gz QWEQNBJNJKKJQD-MRXNPFEDSA-N 1 3 304.438 0.656 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H](N)C2CCC2)CC1 ZINC000570089036 417311480 /nfs/dbraw/zinc/31/14/80/417311480.db2.gz VFAXPJCMJQOUQE-OAHLLOKOSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000414882249 417313644 /nfs/dbraw/zinc/31/36/44/417313644.db2.gz SIPBLYXURYDCQH-UHFFFAOYSA-N 1 3 306.410 0.801 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621844111 417318948 /nfs/dbraw/zinc/31/89/48/417318948.db2.gz PCZNKPJYEXYIKV-CPUCHLNUSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(N)nc3)CC2)CC1 ZINC000638087850 417319000 /nfs/dbraw/zinc/31/90/00/417319000.db2.gz GVODYGYAIGQGHT-UHFFFAOYSA-N 1 3 317.437 0.952 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1CN(C)C ZINC000633027485 417325949 /nfs/dbraw/zinc/32/59/49/417325949.db2.gz XLFIVNKYYDSNJJ-GJZGRUSLSA-N 1 3 316.405 0.568 20 0 DCADHO COCCCN(C)CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638120556 417342219 /nfs/dbraw/zinc/34/22/19/417342219.db2.gz ALHAZBHLAQWKIV-UHFFFAOYSA-N 1 3 319.449 0.959 20 0 DCADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCNC(C)(C)C2)cnn1C ZINC000643773819 417347040 /nfs/dbraw/zinc/34/70/40/417347040.db2.gz ZWSCKWZXANDNIM-KGLIPLIRSA-N 1 3 305.426 0.242 20 0 DCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000638135847 417347367 /nfs/dbraw/zinc/34/73/67/417347367.db2.gz VDFHJMWNSLPHHQ-ZBFHGGJFSA-N 1 3 304.394 0.497 20 0 DCADHO CNCc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000415257423 417347522 /nfs/dbraw/zinc/34/75/22/417347522.db2.gz BDRCLHRSRXWQNE-GFCCVEGCSA-N 1 3 306.410 0.658 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000638276179 417399427 /nfs/dbraw/zinc/39/94/27/417399427.db2.gz RDZAOMSZQYYNIR-IRXDYDNUSA-N 1 3 318.465 0.998 20 0 DCADHO COCCN(CCN(C)C)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638275978 417399837 /nfs/dbraw/zinc/39/98/37/417399837.db2.gz CTDBNDBEUUVCMF-UHFFFAOYSA-N 1 3 319.449 0.911 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1(C)C ZINC000571043712 417418506 /nfs/dbraw/zinc/41/85/06/417418506.db2.gz AWCSYTWLWHGQBP-CKEIUWERSA-N 1 3 324.469 0.025 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000570554458 417366342 /nfs/dbraw/zinc/36/63/42/417366342.db2.gz TYPYLDOCLXFALX-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638202073 417372479 /nfs/dbraw/zinc/37/24/79/417372479.db2.gz ZCEILBOXGGHBET-UONOGXRCSA-N 1 3 301.431 0.357 20 0 DCADHO [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000638407730 417445312 /nfs/dbraw/zinc/44/53/12/417445312.db2.gz WJOOEPMECIBGFU-IAGOWNOFSA-N 1 3 315.417 0.917 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000638441229 417457242 /nfs/dbraw/zinc/45/72/42/417457242.db2.gz FJOBMYBGXWXSLP-HOCLYGCPSA-N 1 3 313.442 0.311 20 0 DCADHO NC1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000644161489 417486034 /nfs/dbraw/zinc/48/60/34/417486034.db2.gz IAJQFIQUGCDKOH-UHFFFAOYSA-N 1 3 304.394 0.400 20 0 DCADHO CC(C)[C@H](C[NH3+])CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000634994086 417555454 /nfs/dbraw/zinc/55/54/54/417555454.db2.gz QACNXZFSGPXCSE-CQSZACIVSA-N 1 3 306.458 0.792 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)C[C@@H](C)O1 ZINC000576148929 417585178 /nfs/dbraw/zinc/58/51/78/417585178.db2.gz BFPISXJBCQXFTD-KCYZZUKISA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000576148929 417585183 /nfs/dbraw/zinc/58/51/83/417585183.db2.gz BFPISXJBCQXFTD-KCYZZUKISA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000576148929 417585189 /nfs/dbraw/zinc/58/51/89/417585189.db2.gz BFPISXJBCQXFTD-KCYZZUKISA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H](CNC(=O)NCc1ccncc1OCCN(C)C)[NH+](C)C ZINC000454986164 417587025 /nfs/dbraw/zinc/58/70/25/417587025.db2.gz YMYJNNFLMFKIPV-ZDUSSCGKSA-N 1 3 323.441 0.771 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccn(C)n1 ZINC000576185844 417588353 /nfs/dbraw/zinc/58/83/53/417588353.db2.gz IKWWIXNVOZEKJD-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccn(C)n1 ZINC000576185844 417588358 /nfs/dbraw/zinc/58/83/58/417588358.db2.gz IKWWIXNVOZEKJD-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530823919 417590251 /nfs/dbraw/zinc/59/02/51/417590251.db2.gz XDNPVYCNUPKNAZ-SJLPKXTDSA-N 1 3 317.433 0.834 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530823919 417590252 /nfs/dbraw/zinc/59/02/52/417590252.db2.gz XDNPVYCNUPKNAZ-SJLPKXTDSA-N 1 3 317.433 0.834 20 0 DCADHO CCC1([NH+](C)C)CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000638975560 417593365 /nfs/dbraw/zinc/59/33/65/417593365.db2.gz LGGBRYSUQLXJTJ-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1ccccc1N1CCOCC1 ZINC000576464727 417612022 /nfs/dbraw/zinc/61/20/22/417612022.db2.gz ODFIIPGWMUSKPJ-UHFFFAOYSA-N 1 3 318.465 0.860 20 0 DCADHO CN1CCC[C@]2(CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)C2)C1 ZINC000576015410 417571101 /nfs/dbraw/zinc/57/11/01/417571101.db2.gz LPLJKAREKJZEGA-ZBFHGGJFSA-N 1 3 309.458 0.017 20 0 DCADHO CC(C)(C(=O)NCC[C@H]([NH3+])Cc1ccccc1)N1CCNCC1 ZINC000638873601 417573779 /nfs/dbraw/zinc/57/37/79/417573779.db2.gz JUQPIUGIVQWKGG-INIZCTEOSA-N 1 3 318.465 0.747 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000576041370 417574060 /nfs/dbraw/zinc/57/40/60/417574060.db2.gz ACCSEKJKJIQXMR-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000576729727 417631464 /nfs/dbraw/zinc/63/14/64/417631464.db2.gz RGDMMWLJHQKYJY-LSDHHAIUSA-N 1 3 311.474 0.391 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000576729727 417631471 /nfs/dbraw/zinc/63/14/71/417631471.db2.gz RGDMMWLJHQKYJY-LSDHHAIUSA-N 1 3 311.474 0.391 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]C[C@H]2CCCN2CCCO)CC1 ZINC000639218076 417640947 /nfs/dbraw/zinc/64/09/47/417640947.db2.gz KRSKWAYVAKJZFE-MRXNPFEDSA-N 1 3 313.486 0.658 20 0 DCADHO C[C@@H]1C[N@H+](CCc2cncn2C)CC[C@H]1N1CCN(C)CC1 ZINC000639554414 417692686 /nfs/dbraw/zinc/69/26/86/417692686.db2.gz SXRHKNHGROSTMX-NVXWUHKLSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@@H]1C[N@@H+](CCc2cncn2C)CC[C@H]1N1CCN(C)CC1 ZINC000639554414 417692689 /nfs/dbraw/zinc/69/26/89/417692689.db2.gz SXRHKNHGROSTMX-NVXWUHKLSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@@H]1CN(CCc2cncn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000639554414 417692692 /nfs/dbraw/zinc/69/26/92/417692692.db2.gz SXRHKNHGROSTMX-NVXWUHKLSA-N 1 3 305.470 0.920 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000635376918 417645322 /nfs/dbraw/zinc/64/53/22/417645322.db2.gz MCCUPEGBBALYSK-HZPDHXFCSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3CN(C)C[C@H]32)CC1 ZINC000644735753 417651022 /nfs/dbraw/zinc/65/10/22/417651022.db2.gz FGRADFMAFSHFQK-GDBMZVCRSA-N 1 3 308.470 0.611 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000635570765 417706972 /nfs/dbraw/zinc/70/69/72/417706972.db2.gz LSIHYCVOANZQQA-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000635570765 417706976 /nfs/dbraw/zinc/70/69/76/417706976.db2.gz LSIHYCVOANZQQA-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645224706 417714421 /nfs/dbraw/zinc/71/44/21/417714421.db2.gz SIAOWXGTFJQRNZ-CQSZACIVSA-N 1 3 312.458 0.833 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)nn1 ZINC000645635113 417770014 /nfs/dbraw/zinc/77/00/14/417770014.db2.gz IDBKWWREIRAVJM-ZDUSSCGKSA-N 1 3 306.414 0.327 20 0 DCADHO COCCNCCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000640340704 417831915 /nfs/dbraw/zinc/83/19/15/417831915.db2.gz NOQRYZLXUJUIQJ-LSDHHAIUSA-N 1 3 312.458 0.644 20 0 DCADHO CO[C@@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)[C@@](C)(CO)C1 ZINC000639997584 417775935 /nfs/dbraw/zinc/77/59/35/417775935.db2.gz ARKKLMCBZMLJNF-DLBZAZTESA-N 1 3 313.486 0.874 20 0 DCADHO CO[C@@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@](C)(CO)C1 ZINC000639997584 417775937 /nfs/dbraw/zinc/77/59/37/417775937.db2.gz ARKKLMCBZMLJNF-DLBZAZTESA-N 1 3 313.486 0.874 20 0 DCADHO O=C(CNC[C@H]1CCCO1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662602490 417817905 /nfs/dbraw/zinc/81/79/05/417817905.db2.gz QZPQRSSAVZWPPE-HZPDHXFCSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662686253 417851432 /nfs/dbraw/zinc/85/14/32/417851432.db2.gz LCQOXBIXDQVXEJ-GJZGRUSLSA-N 1 3 305.378 0.665 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NCCC2(C[NH3+])CC2)CCSC1 ZINC000652163737 417855752 /nfs/dbraw/zinc/85/57/52/417855752.db2.gz WKDRMTHFZIFDRP-CQSZACIVSA-N 1 3 300.472 0.852 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662693849 417856355 /nfs/dbraw/zinc/85/63/55/417856355.db2.gz MHMOXXNPISUWAT-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646523192 417862233 /nfs/dbraw/zinc/86/22/33/417862233.db2.gz KHTNKJOFAHYTLG-GFCCVEGCSA-N 1 3 306.414 0.196 20 0 DCADHO CCN(CC)CC(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662745340 417881772 /nfs/dbraw/zinc/88/17/72/417881772.db2.gz KRPAEWQEBNWAIG-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC1(C)NC(=O)N(CCCN2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652351585 417890085 /nfs/dbraw/zinc/89/00/85/417890085.db2.gz ITALPFDIGPVKNF-LRDDRELGSA-N 1 3 308.426 0.768 20 0 DCADHO CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000652351585 417890090 /nfs/dbraw/zinc/89/00/90/417890090.db2.gz ITALPFDIGPVKNF-LRDDRELGSA-N 1 3 308.426 0.768 20 0 DCADHO CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000652351585 417890094 /nfs/dbraw/zinc/89/00/94/417890094.db2.gz ITALPFDIGPVKNF-LRDDRELGSA-N 1 3 308.426 0.768 20 0 DCADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000662794369 417907878 /nfs/dbraw/zinc/90/78/78/417907878.db2.gz NNBLRFWTZMVZBZ-HZPDHXFCSA-N 1 3 318.421 0.778 20 0 DCADHO C[C@@H](C[NH3+])C(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016769 417977439 /nfs/dbraw/zinc/97/74/39/417977439.db2.gz FPABWKTTWJYSDL-STQMWFEESA-N 1 3 320.441 0.120 20 0 DCADHO CCN1CCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631646802 417912769 /nfs/dbraw/zinc/91/27/69/417912769.db2.gz CDNNDJCIGFCKFS-CQSZACIVSA-N 1 3 303.472 0.876 20 0 DCADHO COC[C@H](CC1CCOCC1)[NH2+]CC1(O)CCN(C)CC1 ZINC000657886124 417915045 /nfs/dbraw/zinc/91/50/45/417915045.db2.gz IBNIKQPYTMQGQX-HNNXBMFYSA-N 1 3 300.443 0.864 20 0 DCADHO C[C@@H](CC(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000646803555 417916982 /nfs/dbraw/zinc/91/69/82/417916982.db2.gz IDXYNVUEJNXGPU-NWDGAFQWSA-N 1 3 321.429 0.179 20 0 DCADHO [NH3+]C1(CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000662857348 417926437 /nfs/dbraw/zinc/92/64/37/417926437.db2.gz AIIKPYLSLRPUOK-OAHLLOKOSA-N 1 3 303.406 0.751 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000662857301 417926500 /nfs/dbraw/zinc/92/65/00/417926500.db2.gz KOMWCUZZRFULSH-UHFFFAOYSA-N 1 3 318.465 0.482 20 0 DCADHO C[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCCC1 ZINC000631740841 417930150 /nfs/dbraw/zinc/93/01/50/417930150.db2.gz KOMUFGXZONOJJD-AWEZNQCLSA-N 1 3 303.472 0.876 20 0 DCADHO CCN1CCC(NC(=O)Cn2cc(C3CC[NH2+]CC3)nn2)CC1 ZINC000640868127 417938180 /nfs/dbraw/zinc/93/81/80/417938180.db2.gz YAYBQCPCHXRDHJ-UHFFFAOYSA-N 1 3 320.441 0.346 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000640955537 417949870 /nfs/dbraw/zinc/94/98/70/417949870.db2.gz WDDOLZIYAMSTDB-BZUAXINKSA-N 1 3 323.485 0.406 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000652723688 417957475 /nfs/dbraw/zinc/95/74/75/417957475.db2.gz INXNATHTCPHIMJ-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732863 417959668 /nfs/dbraw/zinc/95/96/68/417959668.db2.gz UWAUTXYDIPUIJJ-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000652731819 417960164 /nfs/dbraw/zinc/96/01/64/417960164.db2.gz WBFONZUWHQVCKO-KRWDZBQOSA-N 1 3 322.453 0.143 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000647479556 418013836 /nfs/dbraw/zinc/01/38/36/418013836.db2.gz LLHDVXNWWQYVFT-OAGGEKHMSA-N 1 3 308.470 0.648 20 0 DCADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)ccc1-n1cncn1 ZINC000647493043 418015087 /nfs/dbraw/zinc/01/50/87/418015087.db2.gz QUBWGNCHBXPNOS-UHFFFAOYSA-N 1 3 314.437 0.913 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@@H]1O ZINC000663428102 418019083 /nfs/dbraw/zinc/01/90/83/418019083.db2.gz AGAHSZYTJDCIBL-KBPBESRZSA-N 1 3 312.458 0.567 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653151271 418037040 /nfs/dbraw/zinc/03/70/40/418037040.db2.gz AUQWGUMXNGPUOY-AWEZNQCLSA-N 1 3 312.483 0.917 20 0 DCADHO CC1(OCC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CNC1 ZINC000653260661 418049723 /nfs/dbraw/zinc/04/97/23/418049723.db2.gz JJJQMWYEZVLWPV-BFHYXJOUSA-N 1 3 311.426 0.252 20 0 DCADHO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@H]1CC[NH3+] ZINC000653241050 418046322 /nfs/dbraw/zinc/04/63/22/418046322.db2.gz XFTIOPHUZJKUFO-ILXRZTDVSA-N 1 3 324.469 0.372 20 0 DCADHO CC1(OCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CNC1 ZINC000648168018 418112205 /nfs/dbraw/zinc/11/22/05/418112205.db2.gz NEEPIMRKMOZNRX-HIFRSBDPSA-N 1 3 307.438 0.840 20 0 DCADHO CC1(OCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CNC1 ZINC000648168018 418112207 /nfs/dbraw/zinc/11/22/07/418112207.db2.gz NEEPIMRKMOZNRX-HIFRSBDPSA-N 1 3 307.438 0.840 20 0 DCADHO CC1(C)NC(=O)N(CCCN(C2CC2)C2CC[NH2+]CC2)C1=O ZINC000647814882 418057137 /nfs/dbraw/zinc/05/71/37/418057137.db2.gz JWHXSKIWNBPTRP-UHFFFAOYSA-N 1 3 308.426 0.923 20 0 DCADHO CC1(C)NC(=O)N(CCC[N@H+](C2CC2)C2CCNCC2)C1=O ZINC000647814882 418057139 /nfs/dbraw/zinc/05/71/39/418057139.db2.gz JWHXSKIWNBPTRP-UHFFFAOYSA-N 1 3 308.426 0.923 20 0 DCADHO CC1(C)NC(=O)N(CCC[N@@H+](C2CC2)C2CCNCC2)C1=O ZINC000647814882 418057141 /nfs/dbraw/zinc/05/71/41/418057141.db2.gz JWHXSKIWNBPTRP-UHFFFAOYSA-N 1 3 308.426 0.923 20 0 DCADHO CC[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[NH+](CC)CC ZINC000647825915 418059114 /nfs/dbraw/zinc/05/91/14/418059114.db2.gz NSDGOKODUYLJFT-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000659103977 418061240 /nfs/dbraw/zinc/06/12/40/418061240.db2.gz VUFCNPQKEMBKQO-CQSZACIVSA-N 1 3 304.394 0.684 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]CCCN2CCC(O)CC2)CC1 ZINC000647908985 418073697 /nfs/dbraw/zinc/07/36/97/418073697.db2.gz DDJYBLYAVFBCBG-UHFFFAOYSA-N 1 3 313.486 0.658 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1O ZINC000647993418 418085206 /nfs/dbraw/zinc/08/52/06/418085206.db2.gz YASJKRDYNLFPNA-STQMWFEESA-N 1 3 312.458 0.612 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659459450 418100837 /nfs/dbraw/zinc/10/08/37/418100837.db2.gz DRUKJKFRBYHDLA-UQPPLGOBSA-N 1 3 323.485 0.311 20 0 DCADHO CC(C)Nc1nc(NCCO)nc(NCC[C@@H](C)[NH+](C)C)n1 ZINC000664242918 418101492 /nfs/dbraw/zinc/10/14/92/418101492.db2.gz BKUNGOIFWJVXHE-LLVKDONJSA-N 1 3 311.434 0.848 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000659611661 418126326 /nfs/dbraw/zinc/12/63/26/418126326.db2.gz STRNIDWUWDAAAC-GJZGRUSLSA-N 1 3 324.469 0.868 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+]1CCCC[C@@H]1C ZINC000654373402 418136889 /nfs/dbraw/zinc/13/68/89/418136889.db2.gz BIYBMZPWGMQKFT-XUWVNRHRSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+]1CCCC[C@@H]1C ZINC000654373402 418136893 /nfs/dbraw/zinc/13/68/93/418136893.db2.gz BIYBMZPWGMQKFT-XUWVNRHRSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H]1CCC[N@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654374540 418136922 /nfs/dbraw/zinc/13/69/22/418136922.db2.gz QHKBLSRTNGHLMH-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654374540 418136924 /nfs/dbraw/zinc/13/69/24/418136924.db2.gz QHKBLSRTNGHLMH-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C[NH+]1CCCCC1 ZINC000654395049 418139274 /nfs/dbraw/zinc/13/92/74/418139274.db2.gz UAFONWSERUDQCE-HRCADAONSA-N 1 3 324.469 0.569 20 0 DCADHO NC[C@H]1CCCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659756587 418177154 /nfs/dbraw/zinc/17/71/54/418177154.db2.gz RZVDMLVSKFBSQX-OAHLLOKOSA-N 1 3 322.453 0.174 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCCCC1 ZINC000659673140 418142050 /nfs/dbraw/zinc/14/20/50/418142050.db2.gz HIOMBRRHMLTBMR-UHFFFAOYSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654433735 418144653 /nfs/dbraw/zinc/14/46/53/418144653.db2.gz WLRKMCJZOIKVSS-LVQVYYBASA-N 1 3 324.469 0.710 20 0 DCADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659711917 418157155 /nfs/dbraw/zinc/15/71/55/418157155.db2.gz FQUDTYNMOVDTSW-AWEZNQCLSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000659714945 418159638 /nfs/dbraw/zinc/15/96/38/418159638.db2.gz OGRYIUSHXCJDRD-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000659718857 418161040 /nfs/dbraw/zinc/16/10/40/418161040.db2.gz SRHLZZKYZMMIGN-RDBSUJKOSA-N 1 3 310.442 0.221 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659723238 418163768 /nfs/dbraw/zinc/16/37/68/418163768.db2.gz IOQXQGZBSDKLPD-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659737149 418169724 /nfs/dbraw/zinc/16/97/24/418169724.db2.gz RTSMOWOBGPGRMT-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659738007 418170947 /nfs/dbraw/zinc/17/09/47/418170947.db2.gz XQBCQWWGWKEHPG-CHWSQXEVSA-N 1 3 308.426 0.069 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000659741019 418171730 /nfs/dbraw/zinc/17/17/30/418171730.db2.gz JBJYFIUOWOBDNF-MCIONIFRSA-N 1 3 312.458 0.275 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654736573 418182614 /nfs/dbraw/zinc/18/26/14/418182614.db2.gz BSKJJOJFHJOHRM-JJXSEGSLSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654736573 418182617 /nfs/dbraw/zinc/18/26/17/418182617.db2.gz BSKJJOJFHJOHRM-JJXSEGSLSA-N 1 3 322.453 0.464 20 0 DCADHO O=C([C@H]1CNCCC1(F)F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000649349537 418245483 /nfs/dbraw/zinc/24/54/83/418245483.db2.gz LJFGBALUVKEMHF-CYBMUJFWSA-N 1 3 310.348 0.975 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1=O ZINC000649370115 418248615 /nfs/dbraw/zinc/24/86/15/418248615.db2.gz DYYBYPCGYALGMS-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294033 418193208 /nfs/dbraw/zinc/19/32/08/418193208.db2.gz HBRHRTXMCVEYRB-SMDDNHRTSA-N 1 3 301.394 0.689 20 0 DCADHO CC[NH+]1CCC(N(C)C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000649285182 418222613 /nfs/dbraw/zinc/22/26/13/418222613.db2.gz RSOXHUVOAWBHQU-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)COC1(C)CNC1 ZINC000649308496 418231879 /nfs/dbraw/zinc/23/18/79/418231879.db2.gz KHEBFBDUDSXAFO-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000649318893 418234938 /nfs/dbraw/zinc/23/49/38/418234938.db2.gz SZYREJUOBMSOBM-CYBMUJFWSA-N 1 3 319.396 0.848 20 0 DCADHO CN(Cc1c[nH]cn1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660711996 418284211 /nfs/dbraw/zinc/28/42/11/418284211.db2.gz HRVXDDYNCXVDOG-CYBMUJFWSA-N 1 3 320.441 0.720 20 0 DCADHO CN(Cc1c[nH]cn1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660711997 418284445 /nfs/dbraw/zinc/28/44/45/418284445.db2.gz HRVXDDYNCXVDOG-ZDUSSCGKSA-N 1 3 320.441 0.720 20 0 DCADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028270 418320968 /nfs/dbraw/zinc/32/09/68/418320968.db2.gz KDYHQGFRACYOTC-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028307 418321268 /nfs/dbraw/zinc/32/12/68/418321268.db2.gz KDYHQGFRACYOTC-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656029297 418321488 /nfs/dbraw/zinc/32/14/88/418321488.db2.gz XWGFOPOEMONXGB-JKIFEVAISA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655450001 418262937 /nfs/dbraw/zinc/26/29/37/418262937.db2.gz ZBKUVWRUYUFMIK-JFIYKMOQSA-N 1 3 322.497 0.766 20 0 DCADHO [NH3+][C@H](CO)Cc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656456198 418355416 /nfs/dbraw/zinc/35/54/16/418355416.db2.gz TXLQXDCRGAEVDR-HOCLYGCPSA-N 1 3 301.394 0.587 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662440046 418409934 /nfs/dbraw/zinc/40/99/34/418409934.db2.gz TXBGKYLKNOFYEK-ZDUSSCGKSA-N 1 3 306.414 0.369 20 0 DCADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000662480686 418411898 /nfs/dbraw/zinc/41/18/98/418411898.db2.gz VADMIVFTEWCROU-HOTGVXAUSA-N 1 3 312.502 0.997 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662386744 418405799 /nfs/dbraw/zinc/40/57/99/418405799.db2.gz GMRZYXPMOYHLPP-STQMWFEESA-N 1 3 305.426 0.948 20 0 DCADHO COc1cnccc1N1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492032335 287561997 /nfs/dbraw/zinc/56/19/97/287561997.db2.gz OFJMNDMUIGOKGA-PLNGDYQASA-N 1 3 304.394 0.857 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000187412481 261123935 /nfs/dbraw/zinc/12/39/35/261123935.db2.gz FAHXVAPIAUMRAR-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](N3CCCC3)C2)C[C@H](C)O1 ZINC000303976915 261173495 /nfs/dbraw/zinc/17/34/95/261173495.db2.gz CKWFPLQGUGKFLF-VVLHAWIVSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](N3CCCC3)C2)C[C@H](C)O1 ZINC000303976915 261173497 /nfs/dbraw/zinc/17/34/97/261173497.db2.gz CKWFPLQGUGKFLF-VVLHAWIVSA-N 1 3 311.470 0.627 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000354689770 261259914 /nfs/dbraw/zinc/25/99/14/261259914.db2.gz UKOZBEZJCHVWOH-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000354689770 261259916 /nfs/dbraw/zinc/25/99/16/261259916.db2.gz UKOZBEZJCHVWOH-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000354943483 261290451 /nfs/dbraw/zinc/29/04/51/261290451.db2.gz SJUBEKZXDYKBQH-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000354943483 261290452 /nfs/dbraw/zinc/29/04/52/261290452.db2.gz SJUBEKZXDYKBQH-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000355274423 261323713 /nfs/dbraw/zinc/32/37/13/261323713.db2.gz PHPSNQXSPSEHME-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC1(C)NC(=O)N(CCN2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000357090097 261504593 /nfs/dbraw/zinc/50/45/93/261504593.db2.gz QXTHJYZJAWBIJC-CYBMUJFWSA-N 1 3 308.426 0.638 20 0 DCADHO COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)[C@H](C(C)C)C2)C1 ZINC000362855126 262081335 /nfs/dbraw/zinc/08/13/35/262081335.db2.gz YNLKIRSMUJCVSV-GJZGRUSLSA-N 1 3 312.458 0.689 20 0 DCADHO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)[C@H](C(C)C)C2)C1 ZINC000362855126 262081337 /nfs/dbraw/zinc/08/13/37/262081337.db2.gz YNLKIRSMUJCVSV-GJZGRUSLSA-N 1 3 312.458 0.689 20 0 DCADHO CN(CCNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000417227277 262247922 /nfs/dbraw/zinc/24/79/22/262247922.db2.gz CCFULZRXJNYIRG-MRXNPFEDSA-N 1 3 320.437 0.878 20 0 DCADHO CN(CCNC(=O)NC[C@H]1C[NH2+]CCN1C)Cc1ccccc1 ZINC000417234226 262248298 /nfs/dbraw/zinc/24/82/98/262248298.db2.gz URTHPXGRNKHEAA-MRXNPFEDSA-N 1 3 319.453 0.321 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417389065 262251047 /nfs/dbraw/zinc/25/10/47/262251047.db2.gz PGMLKCRONDDECK-AWEZNQCLSA-N 1 3 320.441 0.240 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CNCCO1 ZINC000417468557 262252909 /nfs/dbraw/zinc/25/29/09/262252909.db2.gz OXQNSESEGIFUJP-AWEZNQCLSA-N 1 3 300.447 0.786 20 0 DCADHO C[NH2+]CCCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000417551338 262255198 /nfs/dbraw/zinc/25/51/98/262255198.db2.gz ZDXQAUUZGBQDBA-UHFFFAOYSA-N 1 3 300.447 0.785 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000417815209 262262826 /nfs/dbraw/zinc/26/28/26/262262826.db2.gz SPZBVDVOYIKDGV-OAHLLOKOSA-N 1 3 312.458 0.927 20 0 DCADHO COCCNCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000417827505 262263326 /nfs/dbraw/zinc/26/33/26/262263326.db2.gz PKKUHYBIXDCVOP-UHFFFAOYSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417953917 262265846 /nfs/dbraw/zinc/26/58/46/262265846.db2.gz PRXIIQRLRCBLLY-LBPRGKRZSA-N 1 3 309.414 0.416 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418073114 262269302 /nfs/dbraw/zinc/26/93/02/262269302.db2.gz WIXDICVIXUWFAM-LSDHHAIUSA-N 1 3 312.458 0.596 20 0 DCADHO CN1CCN(CCNC(=O)N2CCCC[C@H]2C[NH3+])CC1(C)C ZINC000418159605 262271662 /nfs/dbraw/zinc/27/16/62/262271662.db2.gz CQYNCFLFEWZUNZ-AWEZNQCLSA-N 1 3 311.474 0.535 20 0 DCADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(CC[NH3+])CCO ZINC000418239327 262273395 /nfs/dbraw/zinc/27/33/95/262273395.db2.gz QIWUDFGXIIPNRD-AWEZNQCLSA-N 1 3 300.447 0.460 20 0 DCADHO CC(C)c1ccc([C@H](N)CNC(=O)N(CC[NH3+])CCO)cc1 ZINC000418360720 262275342 /nfs/dbraw/zinc/27/53/42/262275342.db2.gz TXHDVGTZWWENIA-OAHLLOKOSA-N 1 3 308.426 0.772 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418361506 262275432 /nfs/dbraw/zinc/27/54/32/262275432.db2.gz CLTFHJYIGGQQKZ-UONOGXRCSA-N 1 3 300.447 0.234 20 0 DCADHO CN1CCC(O)(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418609896 262284027 /nfs/dbraw/zinc/28/40/27/262284027.db2.gz GCPDGUHPNWABBB-CYBMUJFWSA-N 1 3 312.458 0.521 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418773507 262288645 /nfs/dbraw/zinc/28/86/45/262288645.db2.gz XRAQCPSPHOGJIQ-OAHLLOKOSA-N 1 3 324.425 0.731 20 0 DCADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@@H]2CN)CCCC1 ZINC000418800779 262291140 /nfs/dbraw/zinc/29/11/40/262291140.db2.gz IXHVKEJTLBPYLU-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])c1ccccc1 ZINC000418863308 262294156 /nfs/dbraw/zinc/29/41/56/262294156.db2.gz PGZUTTLNLLCSRD-DZGCQCFKSA-N 1 3 320.437 0.649 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418919299 262297952 /nfs/dbraw/zinc/29/79/52/262297952.db2.gz ADFHDVOCFKAMEV-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1C ZINC000418969826 262300986 /nfs/dbraw/zinc/30/09/86/262300986.db2.gz VXUIOCLDEHMHDE-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419078832 262307012 /nfs/dbraw/zinc/30/70/12/262307012.db2.gz LSVSINXOJMMBKJ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419125740 262310677 /nfs/dbraw/zinc/31/06/77/262310677.db2.gz UQZUTHCZTQPUCN-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419156740 262314072 /nfs/dbraw/zinc/31/40/72/262314072.db2.gz JYBHZCUVLOAXKK-MGPQQGTHSA-N 1 3 310.442 0.029 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419222304 262320150 /nfs/dbraw/zinc/32/01/50/262320150.db2.gz BMGRMRUDFRXJBZ-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCC1 ZINC000419233448 262322075 /nfs/dbraw/zinc/32/20/75/262322075.db2.gz GYDJUNRPJWXSID-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000419406764 262330347 /nfs/dbraw/zinc/33/03/47/262330347.db2.gz JDTSZIOIZICSLQ-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419406751 262330461 /nfs/dbraw/zinc/33/04/61/262330461.db2.gz JCDCSKRRPQZXLP-AWEZNQCLSA-N 1 3 322.453 0.261 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000419404302 262330589 /nfs/dbraw/zinc/33/05/89/262330589.db2.gz FSGSWTZQWIMYQD-CZUORRHYSA-N 1 3 310.442 0.032 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419412117 262331796 /nfs/dbraw/zinc/33/17/96/262331796.db2.gz QPOFUJIWQSPDEQ-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419419057 262332658 /nfs/dbraw/zinc/33/26/58/262332658.db2.gz YTOZCSOOIKBVEZ-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CN(CC[NH3+])C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419425880 262333444 /nfs/dbraw/zinc/33/34/44/262333444.db2.gz QCEHGAANDSCQGD-OAHLLOKOSA-N 1 3 318.421 0.357 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)C1CC1 ZINC000419509205 262337093 /nfs/dbraw/zinc/33/70/93/262337093.db2.gz DOPBXYMMZLWAGV-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419590850 262339282 /nfs/dbraw/zinc/33/92/82/262339282.db2.gz QPNNZRFDTTZLBK-SOUVJXGZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419595104 262339513 /nfs/dbraw/zinc/33/95/13/262339513.db2.gz VXLWHLQLIOXNGH-AWEZNQCLSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419596078 262339739 /nfs/dbraw/zinc/33/97/39/262339739.db2.gz XNGBOTLZIMESME-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419691560 262345566 /nfs/dbraw/zinc/34/55/66/262345566.db2.gz FAAKXQJZTDQOEB-JSGCOSHPSA-N 1 3 310.442 0.219 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419693057 262345950 /nfs/dbraw/zinc/34/59/50/262345950.db2.gz HZFIZZIXHUWFKU-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000419697118 262346777 /nfs/dbraw/zinc/34/67/77/262346777.db2.gz NVUMLVRTRWBWMO-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419698261 262346885 /nfs/dbraw/zinc/34/68/85/262346885.db2.gz PJVOTXVVOMWXSC-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419700114 262347480 /nfs/dbraw/zinc/34/74/80/262347480.db2.gz XCSSHYUVWYQPGH-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000420103270 262361327 /nfs/dbraw/zinc/36/13/27/262361327.db2.gz QVRFHBLVPXLKKZ-CYBMUJFWSA-N 1 3 312.458 0.561 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420157541 262364649 /nfs/dbraw/zinc/36/46/49/262364649.db2.gz OXSWSIXPKDCPPQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420270377 262368775 /nfs/dbraw/zinc/36/87/75/262368775.db2.gz YQJIUQBKTXQUIN-RYUDHWBXSA-N 1 3 319.457 0.981 20 0 DCADHO CC(C)NS(=O)(=O)[C@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420369236 262372068 /nfs/dbraw/zinc/37/20/68/262372068.db2.gz IOXINEFVYZXLGC-KBPBESRZSA-N 1 3 303.472 0.778 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422109987 262396100 /nfs/dbraw/zinc/39/61/00/262396100.db2.gz CFEKGTVWPOISTB-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)[NH+](CCNC(=O)NC[C@@]1(O)CCN(C)C1)C(C)C ZINC000358660250 271064925 /nfs/dbraw/zinc/06/49/25/271064925.db2.gz GDQKMTSAPJKVJI-HNNXBMFYSA-N 1 3 300.447 0.471 20 0 DCADHO CCC[N@H+](C)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359118224 271097257 /nfs/dbraw/zinc/09/72/57/271097257.db2.gz URGSQSRSQZTELE-KRWDZBQOSA-N 1 3 319.449 0.864 20 0 DCADHO CCC[N@@H+](C)CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359118224 271097259 /nfs/dbraw/zinc/09/72/59/271097259.db2.gz URGSQSRSQZTELE-KRWDZBQOSA-N 1 3 319.449 0.864 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000359118224 271097261 /nfs/dbraw/zinc/09/72/61/271097261.db2.gz URGSQSRSQZTELE-KRWDZBQOSA-N 1 3 319.449 0.864 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000359118224 271097263 /nfs/dbraw/zinc/09/72/63/271097263.db2.gz URGSQSRSQZTELE-KRWDZBQOSA-N 1 3 319.449 0.864 20 0 DCADHO COC[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](COC)C3)COC2)C1 ZINC000360028299 271160065 /nfs/dbraw/zinc/16/00/65/271160065.db2.gz SRCNDHMELRTLMH-HZPDHXFCSA-N 1 3 312.454 0.940 20 0 DCADHO COC[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](COC)C3)COC2)C1 ZINC000360028299 271160070 /nfs/dbraw/zinc/16/00/70/271160070.db2.gz SRCNDHMELRTLMH-HZPDHXFCSA-N 1 3 312.454 0.940 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418283597 271240064 /nfs/dbraw/zinc/24/00/64/271240064.db2.gz ADDIIGCTWDXWLG-OAHLLOKOSA-N 1 3 312.458 0.521 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418713822 271250089 /nfs/dbraw/zinc/25/00/89/271250089.db2.gz HNEPJLUKLDWPJL-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)[C@H]1CN ZINC000418991701 271263803 /nfs/dbraw/zinc/26/38/03/271263803.db2.gz MYIODPIPIRKWCS-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)[C@H]1CN ZINC000418991701 271263806 /nfs/dbraw/zinc/26/38/06/271263806.db2.gz MYIODPIPIRKWCS-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419032888 271269262 /nfs/dbraw/zinc/26/92/62/271269262.db2.gz XNZYGJMOEFKOMC-RDBSUJKOSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419032848 271269965 /nfs/dbraw/zinc/26/99/65/271269965.db2.gz XKTDTQQLPYLFQU-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419522791 271298771 /nfs/dbraw/zinc/29/87/71/271298771.db2.gz NLRLLZGSBDYYLG-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419578007 271309167 /nfs/dbraw/zinc/30/91/67/271309167.db2.gz DNQOBOYALFWQRD-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@H](C)N(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000419581592 271311841 /nfs/dbraw/zinc/31/18/41/271311841.db2.gz IQXWPTNRYKRNKO-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419578565 271311856 /nfs/dbraw/zinc/31/18/56/271311856.db2.gz FCVAOTSNCNKBPM-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419667445 271319253 /nfs/dbraw/zinc/31/92/53/271319253.db2.gz AKRKTXFHBUWHBR-GJZGRUSLSA-N 1 3 324.469 0.467 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419908542 271342894 /nfs/dbraw/zinc/34/28/94/271342894.db2.gz YOVFKYNVJCIXBH-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419906037 271342913 /nfs/dbraw/zinc/34/29/13/271342913.db2.gz ZOAKVPDADLTDPS-IHRRRGAJSA-N 1 3 310.442 0.314 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419906039 271343270 /nfs/dbraw/zinc/34/32/70/271343270.db2.gz ZOAKVPDADLTDPS-MJBXVCDLSA-N 1 3 310.442 0.314 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000419942534 271346966 /nfs/dbraw/zinc/34/69/66/271346966.db2.gz GBTUNWORKSEKJY-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419949312 271349054 /nfs/dbraw/zinc/34/90/54/271349054.db2.gz GZMAVPWZBFLOTC-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000459897150 272016768 /nfs/dbraw/zinc/01/67/68/272016768.db2.gz NWVHGUMCUHEVNP-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000459901028 272017340 /nfs/dbraw/zinc/01/73/40/272017340.db2.gz UADXRQVLRNPYIR-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000459901028 272017343 /nfs/dbraw/zinc/01/73/43/272017343.db2.gz UADXRQVLRNPYIR-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471660648 272028743 /nfs/dbraw/zinc/02/87/43/272028743.db2.gz YQCUVTMXEWOOCR-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@](C)(O)CNC)C1 ZINC000496679396 272334285 /nfs/dbraw/zinc/33/42/85/272334285.db2.gz RYUSBJGJRHACNG-YDHLFZDLSA-N 1 3 301.431 0.803 20 0 DCADHO CCOC(=O)N1CCC[C@H]([C@H](C)NC[C@@](C)(O)C[NH2+]C)C1 ZINC000496679396 272334286 /nfs/dbraw/zinc/33/42/86/272334286.db2.gz RYUSBJGJRHACNG-YDHLFZDLSA-N 1 3 301.431 0.803 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000521231467 272531179 /nfs/dbraw/zinc/53/11/79/272531179.db2.gz NRSFBGRAEKFDBN-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000515299356 287651433 /nfs/dbraw/zinc/65/14/33/287651433.db2.gz VKEGLQSMLIKMCS-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000520205265 287684526 /nfs/dbraw/zinc/68/45/26/287684526.db2.gz MFXZHEWDTDWYFQ-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1noc(CCCC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000530642155 287752354 /nfs/dbraw/zinc/75/23/54/287752354.db2.gz USGDSNNEUFVHLT-UHFFFAOYSA-N 1 3 311.430 0.653 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCOCC1 ZINC000540713602 287905413 /nfs/dbraw/zinc/90/54/13/287905413.db2.gz ASPGKFWBXNIYRQ-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])N(C)C1 ZINC000333773339 277347610 /nfs/dbraw/zinc/34/76/10/277347610.db2.gz CJDBKMGUYDRXSF-ZQDZILKHSA-N 1 3 312.458 0.864 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419689858 277388164 /nfs/dbraw/zinc/38/81/64/277388164.db2.gz CMFRNVUPAJCCCC-LSDHHAIUSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000418829998 277583350 /nfs/dbraw/zinc/58/33/50/277583350.db2.gz HLLXUOULMDVAIN-DZGCQCFKSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547297689 288036477 /nfs/dbraw/zinc/03/64/77/288036477.db2.gz NZWNHFUVJOTHMG-GOEBONIOSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547297689 288036480 /nfs/dbraw/zinc/03/64/80/288036480.db2.gz NZWNHFUVJOTHMG-GOEBONIOSA-N 1 3 312.458 0.473 20 0 DCADHO CCC[C@@H](C(=O)N1CC[C@H](N2CCN(CC)CC2)C1)[NH+](C)C ZINC000153302536 278854975 /nfs/dbraw/zinc/85/49/75/278854975.db2.gz XWQARWYFTZVKRK-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)C(C)=O ZINC000337580090 279302068 /nfs/dbraw/zinc/30/20/68/279302068.db2.gz NBDPIUVTEQEWCV-OAHLLOKOSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN(C)C(C)=O ZINC000337580090 279302072 /nfs/dbraw/zinc/30/20/72/279302072.db2.gz NBDPIUVTEQEWCV-OAHLLOKOSA-N 1 3 312.458 0.339 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000340783296 279331716 /nfs/dbraw/zinc/33/17/16/279331716.db2.gz WAZNMHURTLXJAO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000364223980 279362251 /nfs/dbraw/zinc/36/22/51/279362251.db2.gz XMKGWHXHEZPIQP-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)NCC[NH+](C)C ZINC000552310671 288272404 /nfs/dbraw/zinc/27/24/04/288272404.db2.gz GDHGMAGUSMNDML-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)NCC[NH+](C)C ZINC000552310672 288272478 /nfs/dbraw/zinc/27/24/78/288272478.db2.gz GDHGMAGUSMNDML-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)[C@@H](C)[C@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000553794893 288307517 /nfs/dbraw/zinc/30/75/17/288307517.db2.gz WRLHMOWHMQDUCO-XUXIUFHCSA-N 1 3 314.474 0.391 20 0 DCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000333617254 281281667 /nfs/dbraw/zinc/28/16/67/281281667.db2.gz YWGMVLCAJCQZTD-KGLIPLIRSA-N 1 3 310.442 0.394 20 0 DCADHO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)N1CCC(C)CC1 ZINC000563561451 288686157 /nfs/dbraw/zinc/68/61/57/288686157.db2.gz LHGLTXGKTNNARY-LSDHHAIUSA-N 1 3 311.474 0.310 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@@H]1NCCC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000348166236 290572965 /nfs/dbraw/zinc/57/29/65/290572965.db2.gz NXZSZWDWUALNRB-KBXIAJHMSA-N 1 3 324.469 0.385 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332067747 295244385 /nfs/dbraw/zinc/24/43/85/295244385.db2.gz SSKAJNNZIFRCOZ-BFHYXJOUSA-N 1 3 308.426 0.069 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332067747 295244388 /nfs/dbraw/zinc/24/43/88/295244388.db2.gz SSKAJNNZIFRCOZ-BFHYXJOUSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333752361 298564496 /nfs/dbraw/zinc/56/44/96/298564496.db2.gz KDTGDWIJWBFYFP-HZPDHXFCSA-N 1 3 323.485 0.550 20 0 DCADHO NC[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000343694971 303391042 /nfs/dbraw/zinc/39/10/42/303391042.db2.gz WFXGYOAJLFRZPZ-HZPDHXFCSA-N 1 3 320.412 0.374 20 0 DCADHO CN(C)Cc1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000576469286 341848073 /nfs/dbraw/zinc/84/80/73/341848073.db2.gz OYWSREVKMDPMOI-UHFFFAOYSA-N 1 3 302.382 0.941 20 0 DCADHO CC(C)(C)N(C/C=C/C[N@H+](CC(N)=O)C(C)(C)C)CC(N)=O ZINC000131405497 518700102 /nfs/dbraw/zinc/70/01/02/518700102.db2.gz ASYROBQALDOAND-BQYQJAHWSA-N 1 3 312.458 0.714 20 0 DCADHO CC(C)(C)N(C/C=C/C[N@@H+](CC(N)=O)C(C)(C)C)CC(N)=O ZINC000131405497 518700108 /nfs/dbraw/zinc/70/01/08/518700108.db2.gz ASYROBQALDOAND-BQYQJAHWSA-N 1 3 312.458 0.714 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC000154820685 519809111 /nfs/dbraw/zinc/80/91/11/519809111.db2.gz QHILRUPICMKSHZ-MRXNPFEDSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccsc1 ZINC000364218766 520837873 /nfs/dbraw/zinc/83/78/73/520837873.db2.gz YCGJEAFUBPILEM-MCIONIFRSA-N 1 3 311.451 0.970 20 0 DCADHO C[NH2+][C@H](C)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000261846166 522440796 /nfs/dbraw/zinc/44/07/96/522440796.db2.gz WVOBIXBVFJRLDB-OAHLLOKOSA-N 1 3 304.438 0.923 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000262906017 523504505 /nfs/dbraw/zinc/50/45/05/523504505.db2.gz QEHVUSCLWYKRDZ-OAHLLOKOSA-N 1 3 309.410 0.607 20 0 DCADHO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000267252834 524417920 /nfs/dbraw/zinc/41/79/20/524417920.db2.gz OLUAURKKJWUKDE-AWEZNQCLSA-N 1 3 304.438 0.788 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000127317405 524556578 /nfs/dbraw/zinc/55/65/78/524556578.db2.gz SSUBCHIMSMLRNY-INIZCTEOSA-N 1 3 316.449 0.985 20 0 DCADHO [NH3+]C1(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000237986119 545959590 /nfs/dbraw/zinc/95/95/90/545959590.db2.gz QEHQOIKPFCPJBJ-UHFFFAOYSA-N 1 3 308.426 0.025 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)N(C)C1CC1 ZINC000342093274 546118512 /nfs/dbraw/zinc/11/85/12/546118512.db2.gz XTRLTPMKFFORDO-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)N(C)C1CC1 ZINC000342093274 546118518 /nfs/dbraw/zinc/11/85/18/546118518.db2.gz XTRLTPMKFFORDO-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCOC1 ZINC000665757513 546393285 /nfs/dbraw/zinc/39/32/85/546393285.db2.gz MMQRJJZQTMSXGN-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@H]1CCOC1 ZINC000665757513 546393289 /nfs/dbraw/zinc/39/32/89/546393289.db2.gz MMQRJJZQTMSXGN-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000666741409 546502170 /nfs/dbraw/zinc/50/21/70/546502170.db2.gz OBHIZSBUMGIHJV-OAHLLOKOSA-N 1 3 316.405 0.781 20 0 DCADHO CN(C)CCn1cc(NC(=O)NCC2(C)CC[NH2+]CC2)cn1 ZINC000667156355 546562930 /nfs/dbraw/zinc/56/29/30/546562930.db2.gz IHSNETFMIRMJOV-UHFFFAOYSA-N 1 3 308.430 0.956 20 0 DCADHO COc1cncc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000667291063 546583171 /nfs/dbraw/zinc/58/31/71/546583171.db2.gz BGAHSHAZXBUICP-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO COc1cncc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000667291063 546583175 /nfs/dbraw/zinc/58/31/75/546583175.db2.gz BGAHSHAZXBUICP-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000668581740 546790245 /nfs/dbraw/zinc/79/02/45/546790245.db2.gz KKAZOECHJUUOJP-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CCN(CC)C1 ZINC000668794086 546847806 /nfs/dbraw/zinc/84/78/06/546847806.db2.gz AKPTURWEZKGALZ-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CCN(CC)C1 ZINC000669028086 546906528 /nfs/dbraw/zinc/90/65/28/546906528.db2.gz VOQICFZBUVFCSC-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C1(CNC(=O)NC/C=C/C[NH3+])Cc2ccccc2C1 ZINC000669496452 546980360 /nfs/dbraw/zinc/98/03/60/546980360.db2.gz SDHJVBQPQVVKQR-AATRIKPKSA-N 1 3 302.422 0.900 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000669530072 546986032 /nfs/dbraw/zinc/98/60/32/546986032.db2.gz PMKNTXJAUOEVQL-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570481 546992837 /nfs/dbraw/zinc/99/28/37/546992837.db2.gz XYLKUGJPSWWKJA-GOEBONIOSA-N 1 3 320.437 0.924 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000669570935 546993001 /nfs/dbraw/zinc/99/30/01/546993001.db2.gz UNFKYPHERNVPGA-QKPAOTATSA-N 1 3 324.469 0.866 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671820038 547297642 /nfs/dbraw/zinc/29/76/42/547297642.db2.gz HTGVATPVYPZVMM-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671963364 547306981 /nfs/dbraw/zinc/30/69/81/547306981.db2.gz ATBMIEVUYREHEB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671963364 547306985 /nfs/dbraw/zinc/30/69/85/547306985.db2.gz ATBMIEVUYREHEB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000672981548 547430769 /nfs/dbraw/zinc/43/07/69/547430769.db2.gz MOIDCHXMECWUEH-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000683227235 548458580 /nfs/dbraw/zinc/45/85/80/548458580.db2.gz PLWNJIWTHWXXME-BZUAXINKSA-N 1 3 300.443 0.959 20 0 DCADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000683227235 548458585 /nfs/dbraw/zinc/45/85/85/548458585.db2.gz PLWNJIWTHWXXME-BZUAXINKSA-N 1 3 300.443 0.959 20 0 DCADHO C[C@H](CC[NH2+]Cc1ccnn1C)NC(=O)CN(C)C1CCC1 ZINC001668092432 1174755435 /nfs/dbraw/zinc/75/54/35/1174755435.db2.gz RIFBFJMPPHBCBV-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668554906 1174807617 /nfs/dbraw/zinc/80/76/17/1174807617.db2.gz FJOFBWONFYDHKN-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668554906 1174807620 /nfs/dbraw/zinc/80/76/20/1174807620.db2.gz FJOFBWONFYDHKN-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000925771457 660906092 /nfs/dbraw/zinc/90/60/92/660906092.db2.gz YRYZSOSCFVYPJA-IXDOHACOSA-N 1 3 310.486 0.371 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000980704171 660987846 /nfs/dbraw/zinc/98/78/46/660987846.db2.gz LOBBCQGGQYGHTI-QWHCGFSZSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982011659 661272063 /nfs/dbraw/zinc/27/20/63/661272063.db2.gz HUWNEUIZLBWUJO-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982011659 661272064 /nfs/dbraw/zinc/27/20/64/661272064.db2.gz HUWNEUIZLBWUJO-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998267958 665426393 /nfs/dbraw/zinc/42/63/93/665426393.db2.gz BHWGKYGUNZLFMN-UHFFFAOYSA-N 1 3 323.466 0.962 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998537106 665476195 /nfs/dbraw/zinc/47/61/95/665476195.db2.gz ZTNPFTYTVQFHDP-YMAMQOFZSA-N 1 3 305.426 0.556 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891538462 657465830 /nfs/dbraw/zinc/46/58/30/657465830.db2.gz ZRMMRVFIQKEHQK-IJEWVQPXSA-N 1 3 310.442 0.681 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084065 657483907 /nfs/dbraw/zinc/48/39/07/657483907.db2.gz HTQHICCQZRERGN-SOUVJXGZSA-N 1 3 318.421 0.779 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084065 657483912 /nfs/dbraw/zinc/48/39/12/657483912.db2.gz HTQHICCQZRERGN-SOUVJXGZSA-N 1 3 318.421 0.779 20 0 DCADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001023084625 657485863 /nfs/dbraw/zinc/48/58/63/657485863.db2.gz VGOXKZHLDLNZQP-BNOWGMLFSA-N 1 3 319.409 0.174 20 0 DCADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001023084625 657485867 /nfs/dbraw/zinc/48/58/67/657485867.db2.gz VGOXKZHLDLNZQP-BNOWGMLFSA-N 1 3 319.409 0.174 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1)[NH+](C)C ZINC000971727656 657609849 /nfs/dbraw/zinc/60/98/49/657609849.db2.gz ATRZFOZRJSNMBU-CABCVRRESA-N 1 3 322.457 0.397 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1)N(C)C ZINC000971780480 657662098 /nfs/dbraw/zinc/66/20/98/657662098.db2.gz ZXYGHSYHIKBAAV-HZPDHXFCSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1)N(C)C ZINC000971780480 657662099 /nfs/dbraw/zinc/66/20/99/657662099.db2.gz ZXYGHSYHIKBAAV-HZPDHXFCSA-N 1 3 321.469 0.836 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC000971801980 657715692 /nfs/dbraw/zinc/71/56/92/657715692.db2.gz XCHWUQCRQSSDGJ-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971801980 657715699 /nfs/dbraw/zinc/71/56/99/657715699.db2.gz XCHWUQCRQSSDGJ-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC000970785843 657906970 /nfs/dbraw/zinc/90/69/70/657906970.db2.gz HGBBYROKIDLMJF-SWLSCSKDSA-N 1 3 318.421 0.426 20 0 DCADHO C[NH+]1CCC(CN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000891926000 657923654 /nfs/dbraw/zinc/92/36/54/657923654.db2.gz IYHGDQRDXUDZAS-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001022455254 657939161 /nfs/dbraw/zinc/93/91/61/657939161.db2.gz NNMWAWAITQMYJE-SYGRHNPNSA-N 1 3 319.449 0.887 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(CCc2ccnn2C)C1 ZINC000970875890 658007561 /nfs/dbraw/zinc/00/75/61/658007561.db2.gz SBKHMOXJMGCCHM-KGLIPLIRSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCc2ccnn2C)C1 ZINC000970875890 658007569 /nfs/dbraw/zinc/00/75/69/658007569.db2.gz SBKHMOXJMGCCHM-KGLIPLIRSA-N 1 3 319.453 0.351 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020587415 658156422 /nfs/dbraw/zinc/15/64/22/658156422.db2.gz FJDJLQWQJQZIGD-LALPHHSUSA-N 1 3 301.406 0.428 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001020588891 658159681 /nfs/dbraw/zinc/15/96/81/658159681.db2.gz PMYLJEJVAZCIMG-QEJZJMRPSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001020588891 658159685 /nfs/dbraw/zinc/15/96/85/658159685.db2.gz PMYLJEJVAZCIMG-QEJZJMRPSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCOC3)C2)C1 ZINC001020589120 658161063 /nfs/dbraw/zinc/16/10/63/658161063.db2.gz XJQGMLUTYIUQIZ-VGWMRTNUSA-N 1 3 309.454 0.992 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969813648 658170487 /nfs/dbraw/zinc/17/04/87/658170487.db2.gz CKADYSXZPYPJAX-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001023888670 658296706 /nfs/dbraw/zinc/29/67/06/658296706.db2.gz ALCSDFAHQSBEGA-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001022712687 658358771 /nfs/dbraw/zinc/35/87/71/658358771.db2.gz XPHSOWFKPUVMSP-XQLPTFJDSA-N 1 3 322.453 0.328 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972733904 658364723 /nfs/dbraw/zinc/36/47/23/658364723.db2.gz UWDMNRHAOUYTCD-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972733904 658364732 /nfs/dbraw/zinc/36/47/32/658364732.db2.gz UWDMNRHAOUYTCD-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001022716051 658369785 /nfs/dbraw/zinc/36/97/85/658369785.db2.gz QJAVDWIJFQCNDD-AEGPPILISA-N 1 3 305.426 0.499 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)C1 ZINC001022717479 658377051 /nfs/dbraw/zinc/37/70/51/658377051.db2.gz YIJLFCLJSOHOPC-FPCVCCKLSA-N 1 3 309.454 0.992 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022721382 658388916 /nfs/dbraw/zinc/38/89/16/658388916.db2.gz WOOMFEWGLOCDKZ-RMRHIDDWSA-N 1 3 320.441 0.233 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022721382 658388926 /nfs/dbraw/zinc/38/89/26/658388926.db2.gz WOOMFEWGLOCDKZ-RMRHIDDWSA-N 1 3 320.441 0.233 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)NCC12CC(C1)C[NH2+]2 ZINC000892262796 658433176 /nfs/dbraw/zinc/43/31/76/658433176.db2.gz XOMJEIPASKOYEX-VXKCQOAXSA-N 1 3 300.406 0.752 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001024268035 658546473 /nfs/dbraw/zinc/54/64/73/658546473.db2.gz OUIWKRDWXUWCRR-ZDUSSCGKSA-N 1 3 323.466 0.962 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNCc3cnns3)C2)C1 ZINC001024265057 658549509 /nfs/dbraw/zinc/54/95/09/658549509.db2.gz ZDVRISVAACMIHX-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](CNCc3cnns3)C2)C1 ZINC001024265057 658549514 /nfs/dbraw/zinc/54/95/14/658549514.db2.gz ZDVRISVAACMIHX-CHWSQXEVSA-N 1 3 323.466 0.818 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCCC1 ZINC000999155050 665589375 /nfs/dbraw/zinc/58/93/75/665589375.db2.gz VGWGQEJXLLVEMJ-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001024438606 658623806 /nfs/dbraw/zinc/62/38/06/658623806.db2.gz SAPHEWQVTKLWRB-HOTGVXAUSA-N 1 3 309.454 0.681 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892496812 658727148 /nfs/dbraw/zinc/72/71/48/658727148.db2.gz LXZOKEJJHZAMQF-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001021093107 658751671 /nfs/dbraw/zinc/75/16/71/658751671.db2.gz ZWZHKPVRFZUGCX-XUXIUFHCSA-N 1 3 310.442 0.362 20 0 DCADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892553399 658856359 /nfs/dbraw/zinc/85/63/59/658856359.db2.gz MBMBNXWTBLKKFC-BETUJISGSA-N 1 3 319.409 0.659 20 0 DCADHO O=C(N[C@H]1C[C@@H](NCc2ccccn2)C1)C12CC[NH+](CC1)C2 ZINC001022980334 658888177 /nfs/dbraw/zinc/88/81/77/658888177.db2.gz QRJBGTZUTSHMPK-GASCZTMLSA-N 1 3 300.406 0.914 20 0 DCADHO [NH3+]CC1(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000891514428 658902615 /nfs/dbraw/zinc/90/26/15/658902615.db2.gz RMMBANUIDBGZNU-UONOGXRCSA-N 1 3 310.442 0.810 20 0 DCADHO C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891523163 658906522 /nfs/dbraw/zinc/90/65/22/658906522.db2.gz AWUQVIQLBOBDLF-CABCVRRESA-N 1 3 310.442 0.321 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001023024607 658920139 /nfs/dbraw/zinc/92/01/39/658920139.db2.gz AYGSDSJFHAWFAM-MELADBBJSA-N 1 3 306.410 0.924 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1)C1CC1 ZINC000999372954 665635018 /nfs/dbraw/zinc/63/50/18/665635018.db2.gz PQRQRJNYTJIZPG-ZBFHGGJFSA-N 1 3 319.453 0.841 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170805 659048369 /nfs/dbraw/zinc/04/83/69/659048369.db2.gz PLJKWXSZQWUQCW-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170805 659048372 /nfs/dbraw/zinc/04/83/72/659048372.db2.gz PLJKWXSZQWUQCW-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cc1cnc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001027216888 659088766 /nfs/dbraw/zinc/08/87/66/659088766.db2.gz YVYWHOLTKNNXHV-CABCVRRESA-N 1 3 317.437 0.675 20 0 DCADHO Cc1cnc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001027216888 659088768 /nfs/dbraw/zinc/08/87/68/659088768.db2.gz YVYWHOLTKNNXHV-CABCVRRESA-N 1 3 317.437 0.675 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001025159685 659091969 /nfs/dbraw/zinc/09/19/69/659091969.db2.gz IUSCJCVSAVXLEU-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001025159685 659091975 /nfs/dbraw/zinc/09/19/75/659091975.db2.gz IUSCJCVSAVXLEU-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CN(CCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)S(C)(=O)=O ZINC000925543045 659158188 /nfs/dbraw/zinc/15/81/88/659158188.db2.gz KSWYTCPNRKJUOW-AGIUHOORSA-N 1 3 303.472 0.634 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1 ZINC001026387379 659271194 /nfs/dbraw/zinc/27/11/94/659271194.db2.gz ZTKIERYGLWILPU-RRFJBIMHSA-N 1 3 322.453 0.030 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC001026386938 659271940 /nfs/dbraw/zinc/27/19/40/659271940.db2.gz VAOAJQPFGOIGFO-ARFHVFGLSA-N 1 3 309.454 0.537 20 0 DCADHO CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857427 665661333 /nfs/dbraw/zinc/66/13/33/665661333.db2.gz UXWARCCUAONVHD-KDWRMLKXSA-N 1 3 321.465 0.944 20 0 DCADHO O=C(N1CCC[C@@H](N[C@@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000999599243 665663224 /nfs/dbraw/zinc/66/32/24/665663224.db2.gz XTAFDOSEGRJXNA-ZIAGYGMSSA-N 1 3 320.437 0.084 20 0 DCADHO [NH3+]CC1(NC(=O)NC[C@H]2Cc3ccccc3CN2)CCOCC1 ZINC000892790616 659456046 /nfs/dbraw/zinc/45/60/46/659456046.db2.gz GJFUFMAHKOSIOZ-OAHLLOKOSA-N 1 3 318.421 0.508 20 0 DCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1Cc3ccccc3CN1)C2 ZINC000892792046 659457072 /nfs/dbraw/zinc/45/70/72/659457072.db2.gz NXJJEJKWMZTDFK-XYJFISCASA-N 1 3 314.433 0.952 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001025778786 659554573 /nfs/dbraw/zinc/55/45/73/659554573.db2.gz BZEIYPRNWRKHRE-OWYFMNJBSA-N 1 3 309.454 0.941 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001025778786 659554579 /nfs/dbraw/zinc/55/45/79/659554579.db2.gz BZEIYPRNWRKHRE-OWYFMNJBSA-N 1 3 309.454 0.941 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CCCO)CC2(C)C)CC[N@@H+]1C ZINC000974600196 659591371 /nfs/dbraw/zinc/59/13/71/659591371.db2.gz OYGUTRGGKWLAED-ZNMIVQPWSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CCCO)CC2(C)C)CC[N@H+]1C ZINC000974600196 659591376 /nfs/dbraw/zinc/59/13/76/659591376.db2.gz OYGUTRGGKWLAED-ZNMIVQPWSA-N 1 3 311.470 0.926 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1)C1CC1 ZINC001026887880 659628075 /nfs/dbraw/zinc/62/80/75/659628075.db2.gz WZSCELHUYIZSHG-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1)N(C)C ZINC001026917082 659641245 /nfs/dbraw/zinc/64/12/45/659641245.db2.gz VLTMHTJWDOIEAC-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000999849676 665691955 /nfs/dbraw/zinc/69/19/55/665691955.db2.gz UTLFXLBINONLOG-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]32)C1 ZINC001026043531 659759387 /nfs/dbraw/zinc/75/93/87/659759387.db2.gz JQUMJZAXVDZSHY-IMSKVBIZSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@H]32)C1 ZINC001026043531 659759389 /nfs/dbraw/zinc/75/93/89/659759389.db2.gz JQUMJZAXVDZSHY-IMSKVBIZSA-N 1 3 321.465 0.801 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001026089141 659775501 /nfs/dbraw/zinc/77/55/01/659775501.db2.gz ISPICHXNBBAMKP-AALSBFMBSA-N 1 3 309.454 0.677 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001026089141 659775503 /nfs/dbraw/zinc/77/55/03/659775503.db2.gz ISPICHXNBBAMKP-AALSBFMBSA-N 1 3 309.454 0.677 20 0 DCADHO CCN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000927633660 661458347 /nfs/dbraw/zinc/45/83/47/661458347.db2.gz QAHBIPDHBYNDRY-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000927633660 661458349 /nfs/dbraw/zinc/45/83/49/661458349.db2.gz QAHBIPDHBYNDRY-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001000188990 665768666 /nfs/dbraw/zinc/76/86/66/665768666.db2.gz BWSZRCGMDCIQAN-GJZGRUSLSA-N 1 3 320.441 0.343 20 0 DCADHO CN(C)c1ccnc(CNC(=O)C2CN(C)CC[N@H+](C)C2)c1 ZINC000927710718 661562715 /nfs/dbraw/zinc/56/27/15/661562715.db2.gz NAJWHHRHNHGMPT-UHFFFAOYSA-N 1 3 305.426 0.257 20 0 DCADHO CN(C)c1ccnc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)c1 ZINC000927710718 661562717 /nfs/dbraw/zinc/56/27/17/661562717.db2.gz NAJWHHRHNHGMPT-UHFFFAOYSA-N 1 3 305.426 0.257 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554319 661565596 /nfs/dbraw/zinc/56/55/96/661565596.db2.gz VHENSYFSMONLFE-ATLSCFEFSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554319 661565597 /nfs/dbraw/zinc/56/55/97/661565597.db2.gz VHENSYFSMONLFE-ATLSCFEFSA-N 1 3 323.481 0.879 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028698629 661765189 /nfs/dbraw/zinc/76/51/89/661765189.db2.gz OHBWJKAAQCLEAN-VUGNNNGISA-N 1 3 319.449 0.698 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028698629 661765191 /nfs/dbraw/zinc/76/51/91/661765191.db2.gz OHBWJKAAQCLEAN-VUGNNNGISA-N 1 3 319.449 0.698 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NCCN2CCC(C)(C)C2)cn1 ZINC000890069423 665803118 /nfs/dbraw/zinc/80/31/18/665803118.db2.gz XHZHJTBRWIRSBJ-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000262033992 661974039 /nfs/dbraw/zinc/97/40/39/661974039.db2.gz PKXVGSMIZCIURF-UHFFFAOYSA-N 1 3 316.449 0.843 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001000312652 665820979 /nfs/dbraw/zinc/82/09/79/665820979.db2.gz OOJQKOASTQQVSE-KGLIPLIRSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCNC1=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029149983 662022488 /nfs/dbraw/zinc/02/24/88/662022488.db2.gz GQKIQCDYAXYSRK-RISCZKNCSA-N 1 3 319.409 0.057 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1=O ZINC000237162353 662047006 /nfs/dbraw/zinc/04/70/06/662047006.db2.gz VDAVFOJARKELHR-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000378750 665831936 /nfs/dbraw/zinc/83/19/36/665831936.db2.gz PFCCSHFZUNNSIF-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000378750 665831938 /nfs/dbraw/zinc/83/19/38/665831938.db2.gz PFCCSHFZUNNSIF-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)C(=O)c1cccc(CNCC2(O)CC[NH+](C)CC2)c1 ZINC000921769805 665835521 /nfs/dbraw/zinc/83/55/21/665835521.db2.gz OBNBNMBCEOXJND-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO C[N@@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)[C@@H]2C1 ZINC000896748994 662310385 /nfs/dbraw/zinc/31/03/85/662310385.db2.gz NLAWEUMPHSJUMK-CWRNSKLLSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)[C@@H]2C1 ZINC000896748994 662310387 /nfs/dbraw/zinc/31/03/87/662310387.db2.gz NLAWEUMPHSJUMK-CWRNSKLLSA-N 1 3 322.453 0.585 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984806585 662316484 /nfs/dbraw/zinc/31/64/84/662316484.db2.gz YZJOKGBSHMBAPB-TUVASFSCSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984806585 662316486 /nfs/dbraw/zinc/31/64/86/662316486.db2.gz YZJOKGBSHMBAPB-TUVASFSCSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC000984804183 662316921 /nfs/dbraw/zinc/31/69/21/662316921.db2.gz MOYOWIOHNKRYJX-IIAWOOMASA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985426151 662439606 /nfs/dbraw/zinc/43/96/06/662439606.db2.gz LZKVOXQATPBEIY-DZGCQCFKSA-N 1 3 324.469 0.656 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985426151 662439608 /nfs/dbraw/zinc/43/96/08/662439608.db2.gz LZKVOXQATPBEIY-DZGCQCFKSA-N 1 3 324.469 0.656 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)[C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000985441441 662448305 /nfs/dbraw/zinc/44/83/05/662448305.db2.gz INXGHKNZAIUBTB-YUELXQCFSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)[C@H]3CCNC3=O)CC2)CC[N@H+]1C ZINC000985441441 662448306 /nfs/dbraw/zinc/44/83/06/662448306.db2.gz INXGHKNZAIUBTB-YUELXQCFSA-N 1 3 322.453 0.138 20 0 DCADHO CN(CCF)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000985442577 662448884 /nfs/dbraw/zinc/44/88/84/662448884.db2.gz IVULREXYFBORRA-GJZGRUSLSA-N 1 3 313.417 0.742 20 0 DCADHO CN(CCF)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000985442577 662448885 /nfs/dbraw/zinc/44/88/85/662448885.db2.gz IVULREXYFBORRA-GJZGRUSLSA-N 1 3 313.417 0.742 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468694 662463219 /nfs/dbraw/zinc/46/32/19/662463219.db2.gz ZRVIOZADPDZIBA-OAHLLOKOSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468694 662463221 /nfs/dbraw/zinc/46/32/21/662463221.db2.gz ZRVIOZADPDZIBA-OAHLLOKOSA-N 1 3 324.469 0.657 20 0 DCADHO COC(=O)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262558738 662478213 /nfs/dbraw/zinc/47/82/13/662478213.db2.gz UTOVDBYLZWNYOG-INIZCTEOSA-N 1 3 303.406 0.953 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000985655284 662496850 /nfs/dbraw/zinc/49/68/50/662496850.db2.gz HZSYFXIXSURSEO-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000985655284 662496852 /nfs/dbraw/zinc/49/68/52/662496852.db2.gz HZSYFXIXSURSEO-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001000548213 665879878 /nfs/dbraw/zinc/87/98/78/665879878.db2.gz ULRZSQFSPPCUJS-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC000987515219 662683417 /nfs/dbraw/zinc/68/34/17/662683417.db2.gz ATJHCIYZIVTZTD-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCCC1 ZINC000987529551 662685027 /nfs/dbraw/zinc/68/50/27/662685027.db2.gz DKBXEOFQTAQDNE-HUUCEWRRSA-N 1 3 305.426 0.558 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569300 662688225 /nfs/dbraw/zinc/68/82/25/662688225.db2.gz XFRRNPSKHACHJF-CJNGLKHVSA-N 1 3 305.422 0.933 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989492253 662953745 /nfs/dbraw/zinc/95/37/45/662953745.db2.gz LVXULSMWTWENFR-OCCSQVGLSA-N 1 3 319.409 0.154 20 0 DCADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000989826547 662982482 /nfs/dbraw/zinc/98/24/82/662982482.db2.gz PFBGQWAXBDMHQC-WFASDCNBSA-N 1 3 318.421 0.426 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC000990243158 663022741 /nfs/dbraw/zinc/02/27/41/663022741.db2.gz BFQMHJQFYRAQPM-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(c2cccc(OCC[NH+](C)C)c2)C1=O ZINC000927183995 663134101 /nfs/dbraw/zinc/13/41/01/663134101.db2.gz MPCPGGUKTSTYRP-CQSZACIVSA-N 1 3 320.393 0.613 20 0 DCADHO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)nc[n-]1 ZINC000902504042 663416347 /nfs/dbraw/zinc/41/63/47/663416347.db2.gz ZTPYVPUAGWCFLM-FQUUOJAGSA-N 1 3 303.410 0.739 20 0 DCADHO Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCCC3)C2)cn1 ZINC001000931902 665965986 /nfs/dbraw/zinc/96/59/86/665965986.db2.gz DDWCSJXYFQLQLD-MRXNPFEDSA-N 1 3 317.437 0.961 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1CC[NH3+] ZINC000903747667 663477041 /nfs/dbraw/zinc/47/70/41/663477041.db2.gz SAAAENRFGBJKNE-TUVASFSCSA-N 1 3 322.453 0.125 20 0 DCADHO O=C1OCCN1C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764956 663480673 /nfs/dbraw/zinc/48/06/73/663480673.db2.gz CMPDKJILSUTBJT-GOEBONIOSA-N 1 3 309.410 0.672 20 0 DCADHO Cc1noc([C@@H]2OCC[C@@H]2NC[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903776541 663483551 /nfs/dbraw/zinc/48/35/51/663483551.db2.gz UEUGPVFFTCNNCU-MELADBBJSA-N 1 3 322.409 0.956 20 0 DCADHO CC(=O)NC[C@@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903874330 663490709 /nfs/dbraw/zinc/49/07/09/663490709.db2.gz YBNIPGNZZDNAFY-JKSUJKDBSA-N 1 3 321.469 0.694 20 0 DCADHO CC[C@@H](CO)N1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903897682 663493614 /nfs/dbraw/zinc/49/36/14/663493614.db2.gz IIMAUDUKVCXSNJ-WBVHZDCISA-N 1 3 323.485 0.234 20 0 DCADHO OC[C@@H](Cc1ccccc1)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903926957 663496077 /nfs/dbraw/zinc/49/60/77/663496077.db2.gz NZTDPBNAINJOSU-CVEARBPZSA-N 1 3 315.421 0.896 20 0 DCADHO CN1CCC(C[NH2+]C[C@@](C)(O)C(F)F)(N2CCOCC2)CC1 ZINC000905286397 663545449 /nfs/dbraw/zinc/54/54/49/663545449.db2.gz MGIFJRQUFYNLDF-CQSZACIVSA-N 1 3 321.412 0.389 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001001006454 665974091 /nfs/dbraw/zinc/97/40/91/665974091.db2.gz GPWFNFBTXRXDDG-ZFWWWQNUSA-N 1 3 310.442 0.173 20 0 DCADHO O[C@H](C[NH2+]C[C@H](O)CN1CCCC1)C[C@H](O)c1ccccc1 ZINC000905344464 663546843 /nfs/dbraw/zinc/54/68/43/663546843.db2.gz JCWREAKJXCRSBD-ULQDDVLXSA-N 1 3 308.422 0.517 20 0 DCADHO O[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)CC1(O)CCCCC1 ZINC000905345569 663547161 /nfs/dbraw/zinc/54/71/61/663547161.db2.gz ODILNRLFFKSMAC-CABCVRRESA-N 1 3 300.443 0.479 20 0 DCADHO COC(=O)c1cc(C[NH2+]C[C@@H](O)CN(C)C2CC2)n(C)c1C ZINC000905441189 663557632 /nfs/dbraw/zinc/55/76/32/663557632.db2.gz SQVWCFAYSYFDPZ-CQSZACIVSA-N 1 3 309.410 0.665 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001000995769 665977379 /nfs/dbraw/zinc/97/73/79/665977379.db2.gz ZPEYLTOOOGWCMZ-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906656388 663627503 /nfs/dbraw/zinc/62/75/03/663627503.db2.gz GHLQFCUDMIEDJR-IAQYHMDHSA-N 1 3 316.405 0.683 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911053618 663972754 /nfs/dbraw/zinc/97/27/54/663972754.db2.gz AKOMCDMEWQEKIH-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911055061 663973133 /nfs/dbraw/zinc/97/31/33/663973133.db2.gz MSDTXFIOOYQBHZ-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911055792 663973327 /nfs/dbraw/zinc/97/33/27/663973327.db2.gz PQUNEXIMNQLNKE-GBJTYRQASA-N 1 3 322.453 0.376 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911055751 663973416 /nfs/dbraw/zinc/97/34/16/663973416.db2.gz RBFPKTNDHQQAIS-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911161556 663995757 /nfs/dbraw/zinc/99/57/57/663995757.db2.gz LVKVYKCRYYWLFV-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911205240 664004654 /nfs/dbraw/zinc/00/46/54/664004654.db2.gz AZTKMAGSSUSXMF-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000911275756 664015038 /nfs/dbraw/zinc/01/50/38/664015038.db2.gz OPPRSEVUTXEZBM-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911258018 664016797 /nfs/dbraw/zinc/01/67/97/664016797.db2.gz LQWXJPABXPDQFA-AVGNSLFASA-N 1 3 310.442 0.077 20 0 DCADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911325919 664028625 /nfs/dbraw/zinc/02/86/25/664028625.db2.gz XXIQAWNDLCXNOG-JARUQAPTSA-N 1 3 320.437 0.129 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911395242 664047484 /nfs/dbraw/zinc/04/74/84/664047484.db2.gz KRIATCQBVWMDFY-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911488116 664064267 /nfs/dbraw/zinc/06/42/67/664064267.db2.gz IBDYBTZBYXSEDM-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911532212 664069779 /nfs/dbraw/zinc/06/97/79/664069779.db2.gz KOBACBRCJXVMPG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000911532000 664070042 /nfs/dbraw/zinc/07/00/42/664070042.db2.gz IOQRAUBWFBZYNV-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000911532001 664070231 /nfs/dbraw/zinc/07/02/31/664070231.db2.gz IOQRAUBWFBZYNV-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000911544145 664075408 /nfs/dbraw/zinc/07/54/08/664075408.db2.gz GIKXAUXEVOMVGA-RBSFLKMASA-N 1 3 322.453 0.582 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000911544145 664075411 /nfs/dbraw/zinc/07/54/11/664075411.db2.gz GIKXAUXEVOMVGA-RBSFLKMASA-N 1 3 322.453 0.582 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556076 664078541 /nfs/dbraw/zinc/07/85/41/664078541.db2.gz ISTWFJYCJQJJFJ-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564370 664082701 /nfs/dbraw/zinc/08/27/01/664082701.db2.gz UHABDWRYRQUODF-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO N[C@H]1CCc2cc(C(=O)N3CCC[NH2+]CC3)ccc2NC1=O ZINC000911656495 664098988 /nfs/dbraw/zinc/09/89/88/664098988.db2.gz OIYKXVUFSCKSAJ-ZDUSSCGKSA-N 1 3 302.378 0.334 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NC[C@@H]3CCC[NH2+]3)ccc2NC1=O ZINC000911751645 664105854 /nfs/dbraw/zinc/10/58/54/664105854.db2.gz NSCISCTVSHMMML-STQMWFEESA-N 1 3 302.378 0.380 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/Cn1cncn1 ZINC000912302647 664159588 /nfs/dbraw/zinc/15/95/88/664159588.db2.gz FODDCQWHWOXGQA-DYLGSBMWSA-N 1 3 308.430 0.223 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/Cn1cncn1 ZINC000912302647 664159590 /nfs/dbraw/zinc/15/95/90/664159590.db2.gz FODDCQWHWOXGQA-DYLGSBMWSA-N 1 3 308.430 0.223 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000993806667 665004646 /nfs/dbraw/zinc/00/46/46/665004646.db2.gz MXJKCJXGYBUEFZ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000993806667 665004647 /nfs/dbraw/zinc/00/46/47/665004647.db2.gz MXJKCJXGYBUEFZ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000921406147 665300897 /nfs/dbraw/zinc/30/08/97/665300897.db2.gz CVMUGZCCIHRASF-NUEKZKHPSA-N 1 3 324.469 0.879 20 0 DCADHO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000921406147 665300899 /nfs/dbraw/zinc/30/08/99/665300899.db2.gz CVMUGZCCIHRASF-NUEKZKHPSA-N 1 3 324.469 0.879 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC000997830738 665352068 /nfs/dbraw/zinc/35/20/68/665352068.db2.gz NOIAWNJVCGKVME-LSDHHAIUSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000998087411 665398106 /nfs/dbraw/zinc/39/81/06/665398106.db2.gz VUDVKBXWONWHMM-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001001252002 666023318 /nfs/dbraw/zinc/02/33/18/666023318.db2.gz JDZMXPUTIRXUJT-HOTGVXAUSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001001252002 666023320 /nfs/dbraw/zinc/02/33/20/666023320.db2.gz JDZMXPUTIRXUJT-HOTGVXAUSA-N 1 3 307.438 0.744 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CCCO)CC1 ZINC001001471550 666056276 /nfs/dbraw/zinc/05/62/76/666056276.db2.gz JZFQJNKSHLMTER-MRXNPFEDSA-N 1 3 309.454 0.992 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCCO)CC1 ZINC001001471550 666056278 /nfs/dbraw/zinc/05/62/78/666056278.db2.gz JZFQJNKSHLMTER-MRXNPFEDSA-N 1 3 309.454 0.992 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2=CCN(CCn3cccn3)CC2)C1 ZINC001001446189 666058683 /nfs/dbraw/zinc/05/86/83/666058683.db2.gz JSAOSQBGIBZCEX-MRXNPFEDSA-N 1 3 317.437 0.583 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(CCn3cccn3)CC2)C1 ZINC001001446189 666058684 /nfs/dbraw/zinc/05/86/84/666058684.db2.gz JSAOSQBGIBZCEX-MRXNPFEDSA-N 1 3 317.437 0.583 20 0 DCADHO C[C@H](O)CN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016333904 666224456 /nfs/dbraw/zinc/22/44/56/666224456.db2.gz ZUIJFQATDVGOCB-XJKSGUPXSA-N 1 3 305.422 0.933 20 0 DCADHO O=C(NC1CCN(CCO)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001003016543 666262187 /nfs/dbraw/zinc/26/21/87/666262187.db2.gz MOFUDWVWZFJRHG-MRXNPFEDSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NC1CCN(CCO)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001003016543 666262188 /nfs/dbraw/zinc/26/21/88/666262188.db2.gz MOFUDWVWZFJRHG-MRXNPFEDSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003629272 666336558 /nfs/dbraw/zinc/33/65/58/666336558.db2.gz YMTYFFNFIGYQKK-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946642370 666575531 /nfs/dbraw/zinc/57/55/31/666575531.db2.gz GULMIUPQYCIYEX-APIJFGDWSA-N 1 3 324.469 0.371 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946642370 666575533 /nfs/dbraw/zinc/57/55/33/666575533.db2.gz GULMIUPQYCIYEX-APIJFGDWSA-N 1 3 324.469 0.371 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000945381290 666605024 /nfs/dbraw/zinc/60/50/24/666605024.db2.gz HVCNCMBYNJWHKL-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000945381290 666605027 /nfs/dbraw/zinc/60/50/27/666605027.db2.gz HVCNCMBYNJWHKL-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033595846 666767457 /nfs/dbraw/zinc/76/74/57/666767457.db2.gz VPVQIHGIJGGKOJ-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033595846 666767458 /nfs/dbraw/zinc/76/74/58/666767458.db2.gz VPVQIHGIJGGKOJ-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO C[NH+]1CCC(CC(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1 ZINC000996385096 666780228 /nfs/dbraw/zinc/78/02/28/666780228.db2.gz DXHBYSVDKKCTSO-ZDUSSCGKSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCn2cncn2)CC1)C1CC1 ZINC000996677567 666857792 /nfs/dbraw/zinc/85/77/92/666857792.db2.gz LCCBCRKZPAFGHS-OAHLLOKOSA-N 1 3 320.441 0.199 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000996680866 666859506 /nfs/dbraw/zinc/85/95/06/666859506.db2.gz VYLDTLNTSCHBQK-CABCVRRESA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000996710385 666867350 /nfs/dbraw/zinc/86/73/50/666867350.db2.gz CSCQRIMOXQTJMC-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000996822322 666932322 /nfs/dbraw/zinc/93/23/22/666932322.db2.gz MFVPAMNZTCKNEL-GULBITTBSA-N 1 3 307.438 0.839 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997008413 667071032 /nfs/dbraw/zinc/07/10/32/667071032.db2.gz MACPVKHJUQHNRB-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997008413 667071035 /nfs/dbraw/zinc/07/10/35/667071035.db2.gz MACPVKHJUQHNRB-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1)N(C)C ZINC000997009778 667073614 /nfs/dbraw/zinc/07/36/14/667073614.db2.gz NRGRBDFGCQBXHM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CCN(CCO)CC1 ZINC001005586224 667100778 /nfs/dbraw/zinc/10/07/78/667100778.db2.gz WEUQQJNFIOHPEP-HOTGVXAUSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CCN(CCO)CC1 ZINC001005586224 667100780 /nfs/dbraw/zinc/10/07/80/667100780.db2.gz WEUQQJNFIOHPEP-HOTGVXAUSA-N 1 3 309.454 0.918 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCn2cccn2)CC1 ZINC000863549282 667156106 /nfs/dbraw/zinc/15/61/06/667156106.db2.gz HBBYALNVWSGFQJ-UONOGXRCSA-N 1 3 305.382 0.140 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCOCC2CC2)CC1 ZINC000863549395 667156386 /nfs/dbraw/zinc/15/63/86/667156386.db2.gz IURRJJUPLNBVHW-LSDHHAIUSA-N 1 3 309.410 0.670 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1)C1CC1 ZINC001034959071 667199275 /nfs/dbraw/zinc/19/92/75/667199275.db2.gz QIWOWGMOUFOFGI-HZPDHXFCSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001034939626 667200020 /nfs/dbraw/zinc/20/00/20/667200020.db2.gz HZVHOHHNBXCJMJ-FVQBIDKESA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)CC[N@H+]1C ZINC001034939626 667200023 /nfs/dbraw/zinc/20/00/23/667200023.db2.gz HZVHOHHNBXCJMJ-FVQBIDKESA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C)N(C)C ZINC001035052168 667230071 /nfs/dbraw/zinc/23/00/71/667230071.db2.gz GTXAIPLNAYHLOT-CABCVRRESA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166809 667260408 /nfs/dbraw/zinc/26/04/08/667260408.db2.gz UHEGQRUJXQCMJH-KGLIPLIRSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166809 667260409 /nfs/dbraw/zinc/26/04/09/667260409.db2.gz UHEGQRUJXQCMJH-KGLIPLIRSA-N 1 3 322.453 0.269 20 0 DCADHO CN(C)C1(C(=O)N2CCC3(CC[N@H+](CCO)C3)CC2)CCC1 ZINC001035193695 667269110 /nfs/dbraw/zinc/26/91/10/667269110.db2.gz MUHGPHVFFRIQRA-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CCC3(CC[N@@H+](CCO)C3)CC2)CCC1 ZINC001035193695 667269113 /nfs/dbraw/zinc/26/91/13/667269113.db2.gz MUHGPHVFFRIQRA-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035230937 667276866 /nfs/dbraw/zinc/27/68/66/667276866.db2.gz GFBLEAHOYRGURW-ZDUSSCGKSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035230937 667276868 /nfs/dbraw/zinc/27/68/68/667276868.db2.gz GFBLEAHOYRGURW-ZDUSSCGKSA-N 1 3 306.410 0.648 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866815010 667401841 /nfs/dbraw/zinc/40/18/41/667401841.db2.gz YCJCYNYMHJGNNV-AWEZNQCLSA-N 1 3 305.488 0.965 20 0 DCADHO O=C(N1CCC2(CN(CCO)C2)CC1)C12CCC[NH+]1CCC2 ZINC001035738778 667405976 /nfs/dbraw/zinc/40/59/76/667405976.db2.gz MCAMMQFFTOCCBU-UHFFFAOYSA-N 1 3 307.438 0.532 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC001036206266 667429887 /nfs/dbraw/zinc/42/98/87/667429887.db2.gz QGJDSVNIBASRLT-DOMZBBRYSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC[C@@H]1C ZINC000923199013 667474441 /nfs/dbraw/zinc/47/44/41/667474441.db2.gz LTHKDLVLNVTNPV-IHRRRGAJSA-N 1 3 300.447 0.593 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC[C@@H]1C ZINC000923199013 667474442 /nfs/dbraw/zinc/47/44/42/667474442.db2.gz LTHKDLVLNVTNPV-IHRRRGAJSA-N 1 3 300.447 0.593 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1(CO)CC1 ZINC000923201961 667474883 /nfs/dbraw/zinc/47/48/83/667474883.db2.gz XLBYZGBFDWQPAD-KBPBESRZSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1(CO)CC1 ZINC000923201961 667474887 /nfs/dbraw/zinc/47/48/87/667474887.db2.gz XLBYZGBFDWQPAD-KBPBESRZSA-N 1 3 314.474 0.719 20 0 DCADHO O=C1CCCCN1[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923311253 667505608 /nfs/dbraw/zinc/50/56/08/667505608.db2.gz JNSVKYAFYXUMKZ-HUUCEWRRSA-N 1 3 307.438 0.842 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868161121 667538392 /nfs/dbraw/zinc/53/83/92/667538392.db2.gz PCDXWYQHZLUFHT-UHFFFAOYSA-N 1 3 306.414 0.932 20 0 DCADHO CCN(C(=O)C(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000884576171 667569449 /nfs/dbraw/zinc/56/94/49/667569449.db2.gz BIJKHFDXPXCWHC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[C@H](N2CCCC2)C1 ZINC000868420105 667570318 /nfs/dbraw/zinc/57/03/18/667570318.db2.gz UIPKELWQQLAULV-KKUMJFAQSA-N 1 3 320.437 0.036 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884601176 667573086 /nfs/dbraw/zinc/57/30/86/667573086.db2.gz CYRSBODKSFBHPB-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884601176 667573088 /nfs/dbraw/zinc/57/30/88/667573088.db2.gz CYRSBODKSFBHPB-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000884775419 667605644 /nfs/dbraw/zinc/60/56/44/667605644.db2.gz DMKKISRCVXWFSZ-QWHCGFSZSA-N 1 3 310.442 0.363 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([NH3+])(CC)CC2)C1 ZINC000884787713 667607420 /nfs/dbraw/zinc/60/74/20/667607420.db2.gz ZSXOZNRVOOAGEI-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884787650 667607446 /nfs/dbraw/zinc/60/74/46/667607446.db2.gz YKEPQCDDOHLCRQ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1CCCCN1CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923611902 667664031 /nfs/dbraw/zinc/66/40/31/667664031.db2.gz YYJSBZQESMGWNE-KGLIPLIRSA-N 1 3 303.472 0.922 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870882034 667769749 /nfs/dbraw/zinc/76/97/49/667769749.db2.gz TVJMMARNCGOMSW-SHTZXODSSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@@H](C)[NH3+] ZINC000870982369 667781670 /nfs/dbraw/zinc/78/16/70/667781670.db2.gz ZGBPSVMKDGHGJR-ZBFHGGJFSA-N 1 3 310.486 0.844 20 0 DCADHO CN1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)Cc2cccnc21 ZINC000872257464 667883240 /nfs/dbraw/zinc/88/32/40/667883240.db2.gz IKEKEPQJKXSTNY-CQSZACIVSA-N 1 3 317.437 0.531 20 0 DCADHO CN1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)Cc2cccnc21 ZINC000872257464 667883243 /nfs/dbraw/zinc/88/32/43/667883243.db2.gz IKEKEPQJKXSTNY-CQSZACIVSA-N 1 3 317.437 0.531 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC000889755089 667990398 /nfs/dbraw/zinc/99/03/98/667990398.db2.gz DHOSZMOIPOGXQL-VGWMRTNUSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC000889755089 667990401 /nfs/dbraw/zinc/99/04/01/667990401.db2.gz DHOSZMOIPOGXQL-VGWMRTNUSA-N 1 3 309.454 0.774 20 0 DCADHO CN(C(=O)CN1CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000874460407 668190596 /nfs/dbraw/zinc/19/05/96/668190596.db2.gz VXFOOMIFBCKSPC-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C(=O)CN1CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000874460407 668190599 /nfs/dbraw/zinc/19/05/99/668190599.db2.gz VXFOOMIFBCKSPC-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000924591987 668220004 /nfs/dbraw/zinc/22/00/04/668220004.db2.gz PINKEKTUKLIPPG-GJZGRUSLSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000924591987 668220006 /nfs/dbraw/zinc/22/00/06/668220006.db2.gz PINKEKTUKLIPPG-GJZGRUSLSA-N 1 3 320.437 0.877 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC000925406948 668310025 /nfs/dbraw/zinc/31/00/25/668310025.db2.gz IJOVKQDJVOTFGA-FZKCQIBNSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H](C)O1 ZINC000925406948 668310031 /nfs/dbraw/zinc/31/00/31/668310031.db2.gz IJOVKQDJVOTFGA-FZKCQIBNSA-N 1 3 324.469 0.974 20 0 DCADHO C(N[C@H]1C[NH2+]CCOC1)C1(CN2CCOCC2)CCCCC1 ZINC000925539241 668328204 /nfs/dbraw/zinc/32/82/04/668328204.db2.gz AGKDYTWSHUIFPE-INIZCTEOSA-N 1 3 311.470 0.847 20 0 DCADHO Cn1ccn2c(CC[NH2+][C@@H]3C[C@@H](N)c4ccccc43)nnc2c1=O ZINC000925774339 668347721 /nfs/dbraw/zinc/34/77/21/668347721.db2.gz UPXYEPDKFNYRMM-ZIAGYGMSSA-N 1 3 324.388 0.705 20 0 DCADHO Cn1ccn2c(CCN[C@H]3C[C@@H]([NH3+])CC(C)(C)C3)nnc2c1=O ZINC000925772162 668347817 /nfs/dbraw/zinc/34/78/17/668347817.db2.gz GJESMODLOPARMT-NEPJUHHUSA-N 1 3 318.425 0.466 20 0 DCADHO C[C@@H]1CN(C(=O)Nc2ccnn2CCN(C)C)C[C@H]1CC[NH3+] ZINC000926129398 668375129 /nfs/dbraw/zinc/37/51/29/668375129.db2.gz DPSQSXCNVIYMAY-CHWSQXEVSA-N 1 3 308.430 0.893 20 0 DCADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1cnnn1C)C2 ZINC000926879507 668437918 /nfs/dbraw/zinc/43/79/18/668437918.db2.gz LASPEEVHNBOZPH-OVJXPFRRSA-N 1 3 307.442 0.945 20 0 DCADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H](C)c1cnnn1C)C2 ZINC000926879507 668437920 /nfs/dbraw/zinc/43/79/20/668437920.db2.gz LASPEEVHNBOZPH-OVJXPFRRSA-N 1 3 307.442 0.945 20 0 DCADHO CN(C)C[C@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000876754178 668502328 /nfs/dbraw/zinc/50/23/28/668502328.db2.gz QGQLLRHXEYJRDS-HNNXBMFYSA-N 1 3 308.426 0.479 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(CN)cnn2C)C1 ZINC000876774650 668507815 /nfs/dbraw/zinc/50/78/15/668507815.db2.gz CERUNQJEXBUWKE-AWEZNQCLSA-N 1 3 323.441 0.452 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876859101 668522262 /nfs/dbraw/zinc/52/22/62/668522262.db2.gz BTHIXGRTRJYCRC-QWHCGFSZSA-N 1 3 305.426 0.731 20 0 DCADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901095 668531587 /nfs/dbraw/zinc/53/15/87/668531587.db2.gz YTURWYRASFGLBC-PVAVHDDUSA-N 1 3 318.465 0.902 20 0 DCADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901095 668531589 /nfs/dbraw/zinc/53/15/89/668531589.db2.gz YTURWYRASFGLBC-PVAVHDDUSA-N 1 3 318.465 0.902 20 0 DCADHO CCC[C@H]1CN(C[C@@H](O)C[NH+]2CCCC2)CCN1CCOC ZINC000766972784 668555629 /nfs/dbraw/zinc/55/56/29/668555629.db2.gz KSSQNOHMIZFSSU-IRXDYDNUSA-N 1 3 313.486 0.876 20 0 DCADHO CC1(C)C[NH2+][C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206699 668576019 /nfs/dbraw/zinc/57/60/19/668576019.db2.gz MDQVXBNIMLILFK-AWEZNQCLSA-N 1 3 314.393 0.340 20 0 DCADHO C[C@H]([NH2+]C1CC1)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877205996 668576046 /nfs/dbraw/zinc/57/60/46/668576046.db2.gz CCFTYYLNHZOQHT-NSHDSACASA-N 1 3 314.393 0.483 20 0 DCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207367 668577107 /nfs/dbraw/zinc/57/71/07/668577107.db2.gz UKNCUDZEMQCMKV-IAQYHMDHSA-N 1 3 314.393 0.340 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928554074 668597381 /nfs/dbraw/zinc/59/73/81/668597381.db2.gz PBYSLIIWIPBWFQ-NMWPEEMBSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928554074 668597385 /nfs/dbraw/zinc/59/73/85/668597385.db2.gz PBYSLIIWIPBWFQ-NMWPEEMBSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928554074 668597388 /nfs/dbraw/zinc/59/73/88/668597388.db2.gz PBYSLIIWIPBWFQ-NMWPEEMBSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928554074 668597391 /nfs/dbraw/zinc/59/73/91/668597391.db2.gz PBYSLIIWIPBWFQ-NMWPEEMBSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928554078 668597666 /nfs/dbraw/zinc/59/76/66/668597666.db2.gz PBYSLIIWIPBWFQ-XGUBFFRZSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928554078 668597669 /nfs/dbraw/zinc/59/76/69/668597669.db2.gz PBYSLIIWIPBWFQ-XGUBFFRZSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928554078 668597672 /nfs/dbraw/zinc/59/76/72/668597672.db2.gz PBYSLIIWIPBWFQ-XGUBFFRZSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928554078 668597675 /nfs/dbraw/zinc/59/76/75/668597675.db2.gz PBYSLIIWIPBWFQ-XGUBFFRZSA-N 1 3 322.453 0.043 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877336228 668604060 /nfs/dbraw/zinc/60/40/60/668604060.db2.gz HXQBVQPYFFJTST-JKSUJKDBSA-N 1 3 317.433 0.831 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877384161 668613259 /nfs/dbraw/zinc/61/32/59/668613259.db2.gz DMKUXPOGCFENJK-JZXOWHBKSA-N 1 3 316.449 0.847 20 0 DCADHO COCCN1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000930714888 669066013 /nfs/dbraw/zinc/06/60/13/669066013.db2.gz CGLIISSXASIYDR-UHFFFAOYSA-N 1 3 313.442 0.324 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000879991608 669141441 /nfs/dbraw/zinc/14/14/41/669141441.db2.gz HDFGHWJFBWOFOU-KRWDZBQOSA-N 1 3 319.449 0.977 20 0 DCADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473438 669215087 /nfs/dbraw/zinc/21/50/87/669215087.db2.gz ZFCWPHVLYJYKPZ-UHFFFAOYSA-N 1 3 311.426 0.568 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000951238223 670223131 /nfs/dbraw/zinc/22/31/31/670223131.db2.gz KIUCUJIDJQKJBV-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000847294059 670532288 /nfs/dbraw/zinc/53/22/88/670532288.db2.gz JPCCKINPCVKXRB-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000847311594 670534858 /nfs/dbraw/zinc/53/48/58/670534858.db2.gz HEIKFXSIHSLJSP-KBXIAJHMSA-N 1 3 310.442 0.489 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ncc2c(n1)CCOC2 ZINC000849047270 670755234 /nfs/dbraw/zinc/75/52/34/670755234.db2.gz SKLCIISOIAWVSX-ZDUSSCGKSA-N 1 3 318.425 0.648 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)C[NH+](C)C ZINC000849596550 670822936 /nfs/dbraw/zinc/82/29/36/670822936.db2.gz OZLLKWKJYWWVSS-KBMXLJTQSA-N 1 3 321.469 0.769 20 0 DCADHO O=C(C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000817951364 670956521 /nfs/dbraw/zinc/95/65/21/670956521.db2.gz DRUMUTMXSPZYEV-WMLDXEAASA-N 1 3 320.437 0.038 20 0 DCADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[NH+]1CCCCC1 ZINC000851655146 671004778 /nfs/dbraw/zinc/00/47/78/671004778.db2.gz MZYBMVIHBOCDSF-NSHDSACASA-N 1 3 322.413 0.315 20 0 DCADHO [NH3+]C[C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000851676790 671010508 /nfs/dbraw/zinc/01/05/08/671010508.db2.gz NLVXYDRAVDEBEY-HIFRSBDPSA-N 1 3 310.442 0.620 20 0 DCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819004232 671084154 /nfs/dbraw/zinc/08/41/54/671084154.db2.gz LKVQLPOTYKFEBM-CVEARBPZSA-N 1 3 305.422 0.897 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(s1)CCNC2 ZINC000852797797 671161249 /nfs/dbraw/zinc/16/12/49/671161249.db2.gz BPZNBIWCJGGLGL-CHWSQXEVSA-N 1 3 321.446 0.987 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(s1)CCNC2 ZINC000852797797 671161253 /nfs/dbraw/zinc/16/12/53/671161253.db2.gz BPZNBIWCJGGLGL-CHWSQXEVSA-N 1 3 321.446 0.987 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852799301 671161501 /nfs/dbraw/zinc/16/15/01/671161501.db2.gz TUMPUDIVEDNSKR-YNEHKIRRSA-N 1 3 319.409 0.080 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)=NO1 ZINC000852854726 671174896 /nfs/dbraw/zinc/17/48/96/671174896.db2.gz NWEBCHNQTBHHBH-UONOGXRCSA-N 1 3 302.378 0.481 20 0 DCADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1[nH]nc2c1CNCC2 ZINC000852864310 671178997 /nfs/dbraw/zinc/17/89/97/671178997.db2.gz RRUMYALHMSZVTQ-LBPRGKRZSA-N 1 3 319.409 0.039 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)c1[nH]nc2c1CNCC2 ZINC000852924095 671196168 /nfs/dbraw/zinc/19/61/68/671196168.db2.gz MOPZRQLOPPADRJ-UHFFFAOYSA-N 1 3 317.437 0.907 20 0 DCADHO Cc1cc([C@@H](N)CC(=O)N2CCOC3(C[NH2+]C3)C2)cc(Cl)n1 ZINC000853245904 671224096 /nfs/dbraw/zinc/22/40/96/671224096.db2.gz PRDFBDVKCRBNKU-LBPRGKRZSA-N 1 3 324.812 0.634 20 0 DCADHO CN(C)CCn1cc(NC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1=O ZINC000821318529 671270715 /nfs/dbraw/zinc/27/07/15/671270715.db2.gz BRIJYEUQWKQUFZ-ZDUSSCGKSA-N 1 3 306.410 0.690 20 0 DCADHO CN(C)CCn1cc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1=O ZINC000821318529 671270716 /nfs/dbraw/zinc/27/07/16/671270716.db2.gz BRIJYEUQWKQUFZ-ZDUSSCGKSA-N 1 3 306.410 0.690 20 0 DCADHO COc1cc(=O)[nH]cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824820063 671441009 /nfs/dbraw/zinc/44/10/09/671441009.db2.gz SWOPOVPCTWSSOP-LBPRGKRZSA-N 1 3 324.425 0.798 20 0 DCADHO COc1cc(=O)[nH]cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824820063 671441012 /nfs/dbraw/zinc/44/10/12/671441012.db2.gz SWOPOVPCTWSSOP-LBPRGKRZSA-N 1 3 324.425 0.798 20 0 DCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1[nH]nc2c1CNCC2 ZINC000831876449 671689417 /nfs/dbraw/zinc/68/94/17/671689417.db2.gz YFOMBARCUNJZHE-NSHDSACASA-N 1 3 305.426 0.858 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCCCC1 ZINC000842015417 671974257 /nfs/dbraw/zinc/97/42/57/671974257.db2.gz LBLSSPXXWXACBF-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000843261317 672076775 /nfs/dbraw/zinc/07/67/75/672076775.db2.gz IJYHKMNNJCLZNU-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000844954057 672212017 /nfs/dbraw/zinc/21/20/17/672212017.db2.gz OBTGXOGOTZTYRR-JKSUJKDBSA-N 1 3 324.469 0.977 20 0 DCADHO NC(=O)c1ccc(N2CCN(CCCCCC[NH3+])CC2)nc1 ZINC000846221958 672301857 /nfs/dbraw/zinc/30/18/57/672301857.db2.gz RHNBRSWFCYKOIG-UHFFFAOYSA-N 1 3 305.426 0.822 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N1CCCCC1 ZINC000846336156 672307589 /nfs/dbraw/zinc/30/75/89/672307589.db2.gz WRIBQGLYWHVLOR-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000846363412 672309916 /nfs/dbraw/zinc/30/99/16/672309916.db2.gz OCCPULVMMLALNB-CQSZACIVSA-N 1 3 310.442 0.128 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262949380 685190080 /nfs/dbraw/zinc/19/00/80/685190080.db2.gz BMXKDJRRXIUQSJ-IPYPFGDCSA-N 1 3 310.442 0.171 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262949380 685190082 /nfs/dbraw/zinc/19/00/82/685190082.db2.gz BMXKDJRRXIUQSJ-IPYPFGDCSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037953828 693974020 /nfs/dbraw/zinc/97/40/20/693974020.db2.gz YTXVPOWINQYDCE-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000955337115 686366709 /nfs/dbraw/zinc/36/67/09/686366709.db2.gz FJTDFZNPUDZEEJ-UKRRQHHQSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000955337115 686366719 /nfs/dbraw/zinc/36/67/19/686366719.db2.gz FJTDFZNPUDZEEJ-UKRRQHHQSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534871 694109921 /nfs/dbraw/zinc/10/99/21/694109921.db2.gz IELQQFACHLAHDO-GWUWNPHMSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534871 694109924 /nfs/dbraw/zinc/10/99/24/694109924.db2.gz IELQQFACHLAHDO-GWUWNPHMSA-N 1 3 307.438 0.696 20 0 DCADHO CC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](O)C1 ZINC000958718456 687872889 /nfs/dbraw/zinc/87/28/89/687872889.db2.gz UWGSTUHHEJRWFL-HZPDHXFCSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](O)C1 ZINC000958718456 687872898 /nfs/dbraw/zinc/87/28/98/687872898.db2.gz UWGSTUHHEJRWFL-HZPDHXFCSA-N 1 3 305.422 0.791 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000960217802 688326872 /nfs/dbraw/zinc/32/68/72/688326872.db2.gz IUSCJCVSAVXLEU-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000960217802 688326877 /nfs/dbraw/zinc/32/68/77/688326877.db2.gz IUSCJCVSAVXLEU-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCc4ccns4)C[C@H]32)C1 ZINC000962591294 688951385 /nfs/dbraw/zinc/95/13/85/688951385.db2.gz REMBVGAGGMAWBQ-RZFFKMDDSA-N 1 3 320.462 0.684 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCc4ccns4)C[C@H]32)C1 ZINC000962591294 688951388 /nfs/dbraw/zinc/95/13/88/688951388.db2.gz REMBVGAGGMAWBQ-RZFFKMDDSA-N 1 3 320.462 0.684 20 0 DCADHO C[C@H]([NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC000963954539 689112554 /nfs/dbraw/zinc/11/25/54/689112554.db2.gz BWHCKDQWTVFEPC-ZBOXLXRLSA-N 1 3 307.398 0.185 20 0 DCADHO C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000965065020 689347389 /nfs/dbraw/zinc/34/73/89/689347389.db2.gz TUZSXOQZGLGNDY-AEPRKOQYSA-N 1 3 309.454 0.869 20 0 DCADHO C[C@@H]1CCN(CCCO)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967202566 689957594 /nfs/dbraw/zinc/95/75/94/689957594.db2.gz BZVIQPPUVNKBED-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(CCO)CC[C@@H]2C)CC1 ZINC000968493137 690293650 /nfs/dbraw/zinc/29/36/50/690293650.db2.gz OXBHLAHFXHEJON-HOCLYGCPSA-N 1 3 311.470 0.926 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000968702961 690372207 /nfs/dbraw/zinc/37/22/07/690372207.db2.gz QKDNOMRGSKFYHO-ZBFHGGJFSA-N 1 3 317.437 0.452 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1)C1CC1 ZINC000968912542 690422563 /nfs/dbraw/zinc/42/25/63/690422563.db2.gz KDRSKWDZSGTWEO-CVEARBPZSA-N 1 3 319.453 0.493 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1)[NH+](C)C ZINC000968997153 690447767 /nfs/dbraw/zinc/44/77/67/690447767.db2.gz ZOWBWVQTVNCVEW-CABCVRRESA-N 1 3 307.442 0.697 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001010727784 691362712 /nfs/dbraw/zinc/36/27/12/691362712.db2.gz WVRHSIGUDKKGHT-GJZGRUSLSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011321351 691510379 /nfs/dbraw/zinc/51/03/79/691510379.db2.gz KRLWZEQCRHSPCN-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011321351 691510381 /nfs/dbraw/zinc/51/03/81/691510381.db2.gz KRLWZEQCRHSPCN-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CO[C@H](C)CN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015827083 692458633 /nfs/dbraw/zinc/45/86/33/692458633.db2.gz MPDHTSNBVSXSBV-UKRRQHHQSA-N 1 3 323.441 0.284 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC001018850284 693261683 /nfs/dbraw/zinc/26/16/83/693261683.db2.gz QWUBNCHOJWCJOT-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001018998977 693315630 /nfs/dbraw/zinc/31/56/30/693315630.db2.gz BHJBQRYEKIGUQQ-HOCLYGCPSA-N 1 3 321.469 0.739 20 0 DCADHO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)cn1 ZINC001019044099 693334997 /nfs/dbraw/zinc/33/49/97/693334997.db2.gz OIOYAIDMJSKMMP-LSDHHAIUSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)(C(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1)[NH+]1CCCC1 ZINC001019231180 693400600 /nfs/dbraw/zinc/40/06/00/693400600.db2.gz QOIQCUGBTQKGRG-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CC[C@H](N[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001019232314 693400789 /nfs/dbraw/zinc/40/07/89/693400789.db2.gz URSRXDGAVPRUNG-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001019381339 693454896 /nfs/dbraw/zinc/45/48/96/693454896.db2.gz GPPJVXKIRWKUSK-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)n[nH]1 ZINC001019815725 693595945 /nfs/dbraw/zinc/59/59/45/693595945.db2.gz MFQRZJAMSKPDNQ-AWEZNQCLSA-N 1 3 320.441 0.680 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001020152377 693715074 /nfs/dbraw/zinc/71/50/74/693715074.db2.gz IHVXJEXBNVAGPO-AVGNSLFASA-N 1 3 310.442 0.362 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072677746 694651265 /nfs/dbraw/zinc/65/12/65/694651265.db2.gz SNRCPLRGTWJKAX-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1)OC ZINC001073015957 694694824 /nfs/dbraw/zinc/69/48/24/694694824.db2.gz BFEWFBGXBYVDHF-CQSZACIVSA-N 1 3 306.410 0.912 20 0 DCADHO CC[C@H](C[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1)OC ZINC001073015957 694694825 /nfs/dbraw/zinc/69/48/25/694694825.db2.gz BFEWFBGXBYVDHF-CQSZACIVSA-N 1 3 306.410 0.912 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755818 694777845 /nfs/dbraw/zinc/77/78/45/694777845.db2.gz KGAQMUWZXIRHKI-HNNXBMFYSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074685995 694917135 /nfs/dbraw/zinc/91/71/35/694917135.db2.gz FGNWQEVMEJIZAE-MJBXVCDLSA-N 1 3 310.442 0.314 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074685995 694917136 /nfs/dbraw/zinc/91/71/36/694917136.db2.gz FGNWQEVMEJIZAE-MJBXVCDLSA-N 1 3 310.442 0.314 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]1C)N(C)C ZINC001074709922 694918437 /nfs/dbraw/zinc/91/84/37/694918437.db2.gz WHOTVABSTRTKFP-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C)C(N)=O ZINC001074831910 694925921 /nfs/dbraw/zinc/92/59/21/694925921.db2.gz JNRQITRGCUQOAY-NDKCEZKHSA-N 1 3 310.442 0.170 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C)C(N)=O ZINC001074831910 694925922 /nfs/dbraw/zinc/92/59/22/694925922.db2.gz JNRQITRGCUQOAY-NDKCEZKHSA-N 1 3 310.442 0.170 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001076587741 695030288 /nfs/dbraw/zinc/03/02/88/695030288.db2.gz CEHRGYDAMUKAFA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001076587741 695030289 /nfs/dbraw/zinc/03/02/89/695030289.db2.gz CEHRGYDAMUKAFA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C/Cl)N(C)C ZINC001571594588 1162836564 /nfs/dbraw/zinc/83/65/64/1162836564.db2.gz DZSWBUPIYIXZKF-VFZNBBLXSA-N 1 3 305.850 0.734 20 0 DCADHO CN(CC[NH2+]CCn1cc(Cl)cn1)C(=O)[C@H]1CCCN1C ZINC001691277783 1157628063 /nfs/dbraw/zinc/62/80/63/1157628063.db2.gz IZTMWDWQQIPBMT-CYBMUJFWSA-N 1 3 313.833 0.679 20 0 DCADHO CN(CCOCCNC/C=C\Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001571679057 1162895540 /nfs/dbraw/zinc/89/55/40/1162895540.db2.gz LMUOWJREIZVKLI-DXTPNHAXSA-N 1 3 303.834 0.755 20 0 DCADHO CN(CCOCCNC/C=C\Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571679057 1162895549 /nfs/dbraw/zinc/89/55/49/1162895549.db2.gz LMUOWJREIZVKLI-DXTPNHAXSA-N 1 3 303.834 0.755 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001755007193 1157905237 /nfs/dbraw/zinc/90/52/37/1157905237.db2.gz OCHRLKWGIYJDEG-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)[C@H]2C1 ZINC001648944144 1158013514 /nfs/dbraw/zinc/01/35/14/1158013514.db2.gz XQOPZYLDUVZJDP-OTJKEOIZSA-N 1 3 322.453 0.489 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)[C@H]2C1 ZINC001648944144 1158013520 /nfs/dbraw/zinc/01/35/20/1158013520.db2.gz XQOPZYLDUVZJDP-OTJKEOIZSA-N 1 3 322.453 0.489 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)NC3(C4CC[NH2+]CC4)CC3)cc21 ZINC001649122262 1158714196 /nfs/dbraw/zinc/71/41/96/1158714196.db2.gz BWFPKOJIVADRIT-GFCCVEGCSA-N 1 3 303.410 0.939 20 0 DCADHO O=C(C1CCN(CCN2CC[NH2+]CC2)CC1)N1CCCCC1 ZINC001771749332 1158758665 /nfs/dbraw/zinc/75/86/65/1158758665.db2.gz NSFXWPNXCQFKKE-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001649141158 1158787523 /nfs/dbraw/zinc/78/75/23/1158787523.db2.gz BWRCQVHDKOVUQP-RFQIPJPRSA-N 1 3 311.426 0.456 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CN(CCO)CCCO1)[NH+](CC)CC ZINC001150298891 1158842564 /nfs/dbraw/zinc/84/25/64/1158842564.db2.gz IZLUYJYRRACOBM-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001446450086 1159420050 /nfs/dbraw/zinc/42/00/50/1159420050.db2.gz XWOMKZBIWJEBRE-ZDUSSCGKSA-N 1 3 308.430 0.330 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NCC1CCC1 ZINC001447552360 1159657688 /nfs/dbraw/zinc/65/76/88/1159657688.db2.gz WZFILEOENHMVOZ-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CCN1CCCC1=O ZINC001568204959 1160598606 /nfs/dbraw/zinc/59/86/06/1160598606.db2.gz HCVMZHHFMNBQRH-LBPRGKRZSA-N 1 3 321.425 0.225 20 0 DCADHO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCN2C)nn1 ZINC001568611727 1160705768 /nfs/dbraw/zinc/70/57/68/1160705768.db2.gz GQWCXJOZCHJBBJ-OCCSQVGLSA-N 1 3 321.425 0.564 20 0 DCADHO CCN(CCNCC(=O)NC(C)(C)C)C(=O)CC[NH+](C)C ZINC001568772260 1160767160 /nfs/dbraw/zinc/76/71/60/1160767160.db2.gz NTVPGRFISHRLGX-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568865291 1160826978 /nfs/dbraw/zinc/82/69/78/1160826978.db2.gz AQOATUPGNYDTPJ-OQOSRZTISA-N 1 3 310.442 0.257 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568865291 1160826987 /nfs/dbraw/zinc/82/69/87/1160826987.db2.gz AQOATUPGNYDTPJ-OQOSRZTISA-N 1 3 310.442 0.257 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCn1cncn1 ZINC001569270000 1160999013 /nfs/dbraw/zinc/99/90/13/1160999013.db2.gz GVCXRMKFFQPCFR-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1 ZINC001569270320 1160999712 /nfs/dbraw/zinc/99/97/12/1160999712.db2.gz RAZIFNLDKVHYOG-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCn1cccn1)N(C)C ZINC001569562287 1161149878 /nfs/dbraw/zinc/14/98/78/1161149878.db2.gz JMMWPSNEIJVKIR-LSDHHAIUSA-N 1 3 307.442 0.804 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001569986841 1161369854 /nfs/dbraw/zinc/36/98/54/1161369854.db2.gz LRLSOULZRCYCII-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](O)C[NH3+])N(C)C)cc1 ZINC001575807069 1164159638 /nfs/dbraw/zinc/15/96/38/1164159638.db2.gz HCOQZSVENSLLLB-CABCVRRESA-N 1 3 309.410 0.512 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1CCc1cn[nH]n1 ZINC001576020263 1164212948 /nfs/dbraw/zinc/21/29/48/1164212948.db2.gz ILSVHCYMHFROAD-UKRRQHHQSA-N 1 3 322.457 0.658 20 0 DCADHO CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC001576517406 1164373664 /nfs/dbraw/zinc/37/36/64/1164373664.db2.gz NQDNMVRIYBUTHU-HNNXBMFYSA-N 1 3 322.457 0.612 20 0 DCADHO CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC001576517406 1164373666 /nfs/dbraw/zinc/37/36/66/1164373666.db2.gz NQDNMVRIYBUTHU-HNNXBMFYSA-N 1 3 322.457 0.612 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CC(O)C2)CN1Cc1ccccc1 ZINC001576614215 1164414767 /nfs/dbraw/zinc/41/47/67/1164414767.db2.gz ACRUSRQWWRWUFV-JOESUNBWSA-N 1 3 317.433 0.865 20 0 DCADHO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CCN1CC[NH2+]CC1 ZINC001576619685 1164415673 /nfs/dbraw/zinc/41/56/73/1164415673.db2.gz SMSLVIVZGHRPIU-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576817983 1164480074 /nfs/dbraw/zinc/48/00/74/1164480074.db2.gz NSOZUQHIVVMJQX-HUUCEWRRSA-N 1 3 320.441 0.412 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCc1cn[nH]n1 ZINC001576817983 1164480079 /nfs/dbraw/zinc/48/00/79/1164480079.db2.gz NSOZUQHIVVMJQX-HUUCEWRRSA-N 1 3 320.441 0.412 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)C1 ZINC001576877354 1164509391 /nfs/dbraw/zinc/50/93/91/1164509391.db2.gz UVUAODYCASLHRQ-ZFWWWQNUSA-N 1 3 320.441 0.617 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)C1 ZINC001576877354 1164509396 /nfs/dbraw/zinc/50/93/96/1164509396.db2.gz UVUAODYCASLHRQ-ZFWWWQNUSA-N 1 3 320.441 0.617 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)C1 ZINC001576877352 1164511049 /nfs/dbraw/zinc/51/10/49/1164511049.db2.gz UVUAODYCASLHRQ-HIFRSBDPSA-N 1 3 320.441 0.617 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)C1 ZINC001576877352 1164511059 /nfs/dbraw/zinc/51/10/59/1164511059.db2.gz UVUAODYCASLHRQ-HIFRSBDPSA-N 1 3 320.441 0.617 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCc2cn[nH]n2)C2CC2)C1 ZINC001576883784 1164515548 /nfs/dbraw/zinc/51/55/48/1164515548.db2.gz PUXLFDXZRRASDU-ZDUSSCGKSA-N 1 3 320.441 0.270 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCN(CCc2cn[nH]n2)C2CC2)C1 ZINC001576883784 1164515552 /nfs/dbraw/zinc/51/55/52/1164515552.db2.gz PUXLFDXZRRASDU-ZDUSSCGKSA-N 1 3 320.441 0.270 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CCN(Cc3c[nH]nn3)C2)C1 ZINC001576884084 1164517021 /nfs/dbraw/zinc/51/70/21/1164517021.db2.gz QURLXCPOKGJUDT-KBPBESRZSA-N 1 3 320.441 0.475 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC[C@H]2CCN(Cc3c[nH]nn3)C2)C1 ZINC001576884084 1164517032 /nfs/dbraw/zinc/51/70/32/1164517032.db2.gz QURLXCPOKGJUDT-KBPBESRZSA-N 1 3 320.441 0.475 20 0 DCADHO CCCC[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001577401147 1164684575 /nfs/dbraw/zinc/68/45/75/1164684575.db2.gz XYMMRLOPEYMORZ-CQSZACIVSA-N 1 3 324.469 0.836 20 0 DCADHO CCCN1C[C@@H](C[NH2+]C[C@H](CN)Cc2cnn(C)c2C)CC1=O ZINC001577530875 1164715028 /nfs/dbraw/zinc/71/50/28/1164715028.db2.gz PDZIIADJLGIULE-LSDHHAIUSA-N 1 3 321.469 0.694 20 0 DCADHO CCOCCCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001578107802 1164924342 /nfs/dbraw/zinc/92/43/42/1164924342.db2.gz KRZNPHKRASWNSX-LSDHHAIUSA-N 1 3 310.442 0.633 20 0 DCADHO CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001578417010 1165007840 /nfs/dbraw/zinc/00/78/40/1165007840.db2.gz LBDWLYJHMNPIPH-ZDUSSCGKSA-N 1 3 304.394 0.532 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)ccc1=O ZINC001578419297 1165008271 /nfs/dbraw/zinc/00/82/71/1165008271.db2.gz QGZQBNRCUJBIRR-OLZOCXBDSA-N 1 3 306.410 0.722 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC001578533533 1165049075 /nfs/dbraw/zinc/04/90/75/1165049075.db2.gz MOUXPDHZUCKXSN-XHPSBEMXSA-N 1 3 308.470 0.684 20 0 DCADHO CN1CCN(CCNC(=O)C2(F)CC[NH2+]CC2)CC1(C)C ZINC001578533696 1165050495 /nfs/dbraw/zinc/05/04/95/1165050495.db2.gz TVEGXDGAMADBJN-UHFFFAOYSA-N 1 3 300.422 0.220 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001578647201 1165077467 /nfs/dbraw/zinc/07/74/67/1165077467.db2.gz URFSDQIKLDZPSE-BMFZPTHFSA-N 1 3 307.438 0.930 20 0 DCADHO C[NH2+]CCOCCNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC001578710127 1165089771 /nfs/dbraw/zinc/08/97/71/1165089771.db2.gz WGCAVQBMDVOCKB-UHFFFAOYSA-N 1 3 312.414 0.701 20 0 DCADHO CSC1(CNC(=O)NC[C@H]2CNCCO2)CC[NH+](C)CC1 ZINC001579365775 1165288276 /nfs/dbraw/zinc/28/82/76/1165288276.db2.gz VUOASNKUQFWHHA-GFCCVEGCSA-N 1 3 316.471 0.101 20 0 DCADHO CSc1ccc([C@H](CNC(=O)CC2(O)C[NH2+]C2)N(C)C)cc1 ZINC001579387625 1165296139 /nfs/dbraw/zinc/29/61/39/1165296139.db2.gz KGNGUHODODLWKQ-AWEZNQCLSA-N 1 3 323.462 0.852 20 0 DCADHO Cc1ccc([C@H](CNC(=O)NCC2(O)C[NH2+]C2)N(C)C)cc1 ZINC001579667895 1165373518 /nfs/dbraw/zinc/37/35/18/1165373518.db2.gz WTCBIEHBCNPWGQ-AWEZNQCLSA-N 1 3 306.410 0.231 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)CCCC1 ZINC001580149373 1165520068 /nfs/dbraw/zinc/52/00/68/1165520068.db2.gz OBSLYZGLFLJCFX-AWEZNQCLSA-N 1 3 310.442 0.810 20 0 DCADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1CCC2(C1)OCCO2 ZINC001580898252 1165753911 /nfs/dbraw/zinc/75/39/11/1165753911.db2.gz AQNXXJXQASBDLH-CHWSQXEVSA-N 1 3 307.398 0.588 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C ZINC001583525879 1166263693 /nfs/dbraw/zinc/26/36/93/1166263693.db2.gz ZPDGRYNLBOFSGI-NMONBKHDSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C ZINC001583525879 1166263700 /nfs/dbraw/zinc/26/37/00/1166263700.db2.gz ZPDGRYNLBOFSGI-NMONBKHDSA-N 1 3 322.453 0.354 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001591024338 1167083776 /nfs/dbraw/zinc/08/37/76/1167083776.db2.gz DGUOPLJANQUWIJ-GLQYFDAESA-N 1 3 316.409 0.830 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591024338 1167083790 /nfs/dbraw/zinc/08/37/90/1167083790.db2.gz DGUOPLJANQUWIJ-GLQYFDAESA-N 1 3 316.409 0.830 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1=O ZINC001645583541 1172064183 /nfs/dbraw/zinc/06/41/83/1172064183.db2.gz JNBAWOUBSTTWIP-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@@H]2C1 ZINC001646833600 1172556380 /nfs/dbraw/zinc/55/63/80/1172556380.db2.gz HPFZXUMUGTZOAB-RWMBFGLXSA-N 1 3 317.437 0.858 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC001647253613 1172767631 /nfs/dbraw/zinc/76/76/31/1172767631.db2.gz MAZNDGWQWHVFCH-XNISGKROSA-N 1 3 307.438 0.968 20 0 DCADHO CC1(C)CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC001647577443 1172979612 /nfs/dbraw/zinc/97/96/12/1172979612.db2.gz XFXPEGGLINPJQW-ZIAGYGMSSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC001647578136 1172981017 /nfs/dbraw/zinc/98/10/17/1172981017.db2.gz ZXJMRTSWZZXMFM-UKRRQHHQSA-N 1 3 305.426 0.763 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001650184738 1173503677 /nfs/dbraw/zinc/50/36/77/1173503677.db2.gz YLJVAOKVKZTYBP-HIFRSBDPSA-N 1 3 324.469 0.879 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001650341128 1173578828 /nfs/dbraw/zinc/57/88/28/1173578828.db2.gz KYPGDYHGCBZKQF-ZOBUZTSGSA-N 1 3 308.470 0.376 20 0 DCADHO O=C(c1cccc2c1OCCNC2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001650345758 1173582144 /nfs/dbraw/zinc/58/21/44/1173582144.db2.gz GWMKFODHEUEYMT-SWLSCSKDSA-N 1 3 301.390 0.993 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001650383326 1173605857 /nfs/dbraw/zinc/60/58/57/1173605857.db2.gz HBJMLCRUFZJPDQ-LOUJCGABSA-N 1 3 323.437 0.600 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(CCO)c2C)CC1 ZINC000067188304 1173771498 /nfs/dbraw/zinc/77/14/98/1173771498.db2.gz CIVSWFTYGAIIKR-AWEZNQCLSA-N 1 3 323.485 0.608 20 0 DCADHO COCCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001656783883 1173886194 /nfs/dbraw/zinc/88/61/94/1173886194.db2.gz FGSQOHOJKPORNX-OAHLLOKOSA-N 1 3 324.425 0.274 20 0 DCADHO COCCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001656783883 1173886198 /nfs/dbraw/zinc/88/61/98/1173886198.db2.gz FGSQOHOJKPORNX-OAHLLOKOSA-N 1 3 324.425 0.274 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001661649526 1174142913 /nfs/dbraw/zinc/14/29/13/1174142913.db2.gz JDJXOCGOEKECIK-QLFBSQMISA-N 1 3 324.469 0.336 20 0 DCADHO CCn1cc(CC[NH2+]CCN(C)C(=O)Cc2c[nH]cn2)cn1 ZINC001664212774 1174408775 /nfs/dbraw/zinc/40/87/75/1174408775.db2.gz AZYSSKIMDRGUII-UHFFFAOYSA-N 1 3 304.398 0.459 20 0 DCADHO C[C@H]([NH2+]CCCO)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001664457866 1174433826 /nfs/dbraw/zinc/43/38/26/1174433826.db2.gz VMXCEBYTUZFELV-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO COCCCCN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001665283828 1174502285 /nfs/dbraw/zinc/50/22/85/1174502285.db2.gz JRRFXNVUDOBDQM-MRXNPFEDSA-N 1 3 309.454 0.803 20 0 DCADHO O=C(NC/C=C/CNCc1cccnc1)C12CC[NH+](CC1)C2 ZINC001669139706 1174900119 /nfs/dbraw/zinc/90/01/19/1174900119.db2.gz RUEVTFIOOYETTR-OWOJBTEDSA-N 1 3 300.406 0.939 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC[C@@H]1CCOC1 ZINC001669162718 1174902309 /nfs/dbraw/zinc/90/23/09/1174902309.db2.gz QISUNKQLSDEJBF-PYLYLYNFSA-N 1 3 306.410 0.949 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001672909754 1175161605 /nfs/dbraw/zinc/16/16/05/1175161605.db2.gz ILSKPGCDTVCYAX-HNNXBMFYSA-N 1 3 320.441 0.202 20 0 DCADHO COCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001675599301 1175377271 /nfs/dbraw/zinc/37/72/71/1175377271.db2.gz LVQNIOUUZUQHFZ-ZFWWWQNUSA-N 1 3 313.442 0.323 20 0 DCADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCOCC3)CC[C@@H]21 ZINC000096064394 1175862763 /nfs/dbraw/zinc/86/27/63/1175862763.db2.gz FOKVAWIEBVLNGB-KBMXLJTQSA-N 1 3 305.426 0.852 20 0 DCADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCOCC3)CC[C@@H]21 ZINC000096064394 1175862764 /nfs/dbraw/zinc/86/27/64/1175862764.db2.gz FOKVAWIEBVLNGB-KBMXLJTQSA-N 1 3 305.426 0.852 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001687037410 1176267445 /nfs/dbraw/zinc/26/74/45/1176267445.db2.gz QCLFQPZCCWSLTN-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001687037410 1176267447 /nfs/dbraw/zinc/26/74/47/1176267447.db2.gz QCLFQPZCCWSLTN-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN(CC)[C@@H]1CCNC1=O ZINC001689936484 1177118684 /nfs/dbraw/zinc/11/86/84/1177118684.db2.gz QXPXJBHETIUKIW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN(CC)[C@@H]1CCNC1=O ZINC001689936484 1177118688 /nfs/dbraw/zinc/11/86/88/1177118688.db2.gz QXPXJBHETIUKIW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCn1cncn1 ZINC001699055946 1177808176 /nfs/dbraw/zinc/80/81/76/1177808176.db2.gz BRWZHQZHNBNJBW-GJZGRUSLSA-N 1 3 322.457 0.493 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1C ZINC001699166366 1177905371 /nfs/dbraw/zinc/90/53/71/1177905371.db2.gz UJWCLOGXCKSMOT-TZMCWYRMSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001699166366 1177905376 /nfs/dbraw/zinc/90/53/76/1177905376.db2.gz UJWCLOGXCKSMOT-TZMCWYRMSA-N 1 3 307.442 0.665 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CCc2cnn(C)c2)CCC1 ZINC001699259484 1178000011 /nfs/dbraw/zinc/00/00/11/1178000011.db2.gz DDQRPNGIZQNJLR-SNAWJCMRSA-N 1 3 319.453 0.709 20 0 DCADHO Cn1cc(CC[NH2+]C/C=C\CNC(=O)CN2CCCC2)cn1 ZINC001699361165 1178100193 /nfs/dbraw/zinc/10/01/93/1178100193.db2.gz GFULTVVJNPDOFN-IHWYPQMZSA-N 1 3 305.426 0.320 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCOCCO)CC1)N(C)C ZINC001700696715 1178709934 /nfs/dbraw/zinc/70/99/34/1178709934.db2.gz MYTJXCGEJZHABP-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCOCCO)CC1)N(C)C ZINC001700696715 1178709938 /nfs/dbraw/zinc/70/99/38/1178709938.db2.gz MYTJXCGEJZHABP-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CCNC1=O ZINC001707460306 1180521034 /nfs/dbraw/zinc/52/10/34/1180521034.db2.gz AGLSGIRSOJNUDJ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1CCNC1=O ZINC001707460306 1180521038 /nfs/dbraw/zinc/52/10/38/1180521038.db2.gz AGLSGIRSOJNUDJ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)C(=O)NC ZINC001713024990 1180632882 /nfs/dbraw/zinc/63/28/82/1180632882.db2.gz OPHZZLKETJQTLE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)C(=O)NC ZINC001713024990 1180632883 /nfs/dbraw/zinc/63/28/83/1180632883.db2.gz OPHZZLKETJQTLE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H](C)C(=O)NC ZINC001713024987 1180633832 /nfs/dbraw/zinc/63/38/32/1180633832.db2.gz OPHZZLKETJQTLE-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@@H](C)C(=O)NC ZINC001713024987 1180633838 /nfs/dbraw/zinc/63/38/38/1180633838.db2.gz OPHZZLKETJQTLE-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001713350173 1180780174 /nfs/dbraw/zinc/78/01/74/1180780174.db2.gz RPVWZYVRZTZPIQ-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001713364895 1180787527 /nfs/dbraw/zinc/78/75/27/1180787527.db2.gz YXXJVWHKPRYLJA-HNNXBMFYSA-N 1 3 319.453 0.497 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@H]2C[C@]23CCOC3)CCC1 ZINC001713600600 1180957034 /nfs/dbraw/zinc/95/70/34/1180957034.db2.gz SIKYZXBZAQNBSQ-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CCn2cccn2)C1)C1CCC1 ZINC001714351594 1181332051 /nfs/dbraw/zinc/33/20/51/1181332051.db2.gz QJWNKQBAVBDFDF-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CCOCCN1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714607100 1181436615 /nfs/dbraw/zinc/43/66/15/1181436615.db2.gz LUALNVUKJIKGNG-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CCO)cc2)C1 ZINC001715196198 1181712802 /nfs/dbraw/zinc/71/28/02/1181712802.db2.gz ISUZGTVXTXEANE-AWEZNQCLSA-N 1 3 305.422 0.727 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N(C)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001715659309 1181928532 /nfs/dbraw/zinc/92/85/32/1181928532.db2.gz YXXSBSQDFZGVTA-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001715964933 1182121992 /nfs/dbraw/zinc/12/19/92/1182121992.db2.gz OXLXGBXHTRQSKV-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716222053 1182263020 /nfs/dbraw/zinc/26/30/20/1182263020.db2.gz LVAAHYFFTRDMCG-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001716222053 1182263026 /nfs/dbraw/zinc/26/30/26/1182263026.db2.gz LVAAHYFFTRDMCG-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716336291 1182343469 /nfs/dbraw/zinc/34/34/69/1182343469.db2.gz HOGAIXIJAKTJTP-LKFPGYMHSA-N 1 3 310.442 0.113 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716336291 1182343476 /nfs/dbraw/zinc/34/34/76/1182343476.db2.gz HOGAIXIJAKTJTP-LKFPGYMHSA-N 1 3 310.442 0.113 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001716350096 1182351785 /nfs/dbraw/zinc/35/17/85/1182351785.db2.gz ATTYVAYWGLCXHO-DPOFCPOHSA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001716350096 1182351787 /nfs/dbraw/zinc/35/17/87/1182351787.db2.gz ATTYVAYWGLCXHO-DPOFCPOHSA-N 1 3 322.453 0.400 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001716351913 1182352151 /nfs/dbraw/zinc/35/21/51/1182352151.db2.gz IDFCFCDTXDENAE-ZRUQZJFASA-N 1 3 310.442 0.244 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001716767009 1182518407 /nfs/dbraw/zinc/51/84/07/1182518407.db2.gz GOLNKASWWGQASP-UONOGXRCSA-N 1 3 324.425 0.584 20 0 DCADHO CCn1nncc1CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717694421 1182955200 /nfs/dbraw/zinc/95/52/00/1182955200.db2.gz LXFPRTNNZLIKSD-UONOGXRCSA-N 1 3 322.457 0.624 20 0 DCADHO CCn1nncc1CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001717694421 1182955204 /nfs/dbraw/zinc/95/52/04/1182955204.db2.gz LXFPRTNNZLIKSD-UONOGXRCSA-N 1 3 322.457 0.624 20 0 DCADHO CN(CC(=O)N(C)CCC[NH2+]Cc1cnnn1C)CC(C)(C)C ZINC001723123368 1184265026 /nfs/dbraw/zinc/26/50/26/1184265026.db2.gz OCUDNLWWRBTVSI-UHFFFAOYSA-N 1 3 324.473 0.731 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCOCCO)CCC1 ZINC001723906277 1184360045 /nfs/dbraw/zinc/36/00/45/1184360045.db2.gz PWCSSRWDATUCGQ-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CC(=O)N1CCC(O)(C[NH2+]CCCF)CC1)C1CCC1 ZINC001724982423 1184643274 /nfs/dbraw/zinc/64/32/74/1184643274.db2.gz WYYMYJHXNMHAAQ-UHFFFAOYSA-N 1 3 315.433 0.773 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCOCC2CC2)C1 ZINC001725786170 1184994374 /nfs/dbraw/zinc/99/43/74/1184994374.db2.gz MBVSDTDBEGAYOV-UHFFFAOYSA-N 1 3 306.410 0.958 20 0 DCADHO Cc1nnsc1CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732752205 1185949313 /nfs/dbraw/zinc/94/93/13/1185949313.db2.gz ACFBCMVDFOJQKL-ZYHUDNBSSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001732752205 1185949319 /nfs/dbraw/zinc/94/93/19/1185949319.db2.gz ACFBCMVDFOJQKL-ZYHUDNBSSA-N 1 3 311.455 0.783 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001732908200 1186052507 /nfs/dbraw/zinc/05/25/07/1186052507.db2.gz JYVSEXOFXBXAOT-WJNHHXLDSA-N 1 3 324.469 0.777 20 0 DCADHO CN(CCC[NH2+]CCc1ccnn1C)C(=O)[C@H]1CCCN1C ZINC001733119225 1186148893 /nfs/dbraw/zinc/14/88/93/1186148893.db2.gz FACKODIJDSEZIA-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1)C(=O)N(C)C ZINC001733127010 1186153300 /nfs/dbraw/zinc/15/33/00/1186153300.db2.gz WIBBXHRXUPDFRO-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1)NC1CC1 ZINC001733679085 1186397805 /nfs/dbraw/zinc/39/78/05/1186397805.db2.gz WDECQMVFMQAFTF-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)[C@H]1C ZINC001734410306 1186644712 /nfs/dbraw/zinc/64/47/12/1186644712.db2.gz UHYSUVXVLDONGS-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCNC1=O ZINC001752181773 1188398907 /nfs/dbraw/zinc/39/89/07/1188398907.db2.gz KQKUNTFDJMQKEF-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CCNC1=O ZINC001752181773 1188398909 /nfs/dbraw/zinc/39/89/09/1188398909.db2.gz KQKUNTFDJMQKEF-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001753254718 1188550671 /nfs/dbraw/zinc/55/06/71/1188550671.db2.gz KFHWRWUUZXRVOU-UHFFFAOYSA-N 1 3 308.426 0.275 20 0 DCADHO O=C(NC[C@H](O)CNC/C=C/Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001753910910 1188678803 /nfs/dbraw/zinc/67/88/03/1188678803.db2.gz GLHAVUKBPBTJME-QCSCXQBESA-N 1 3 301.818 0.147 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001753995580 1188705817 /nfs/dbraw/zinc/70/58/17/1188705817.db2.gz QLCAADIGBBNSFI-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001754039026 1188719023 /nfs/dbraw/zinc/71/90/23/1188719023.db2.gz QATOHMKYORXWNX-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001754133403 1188754533 /nfs/dbraw/zinc/75/45/33/1188754533.db2.gz JEKZEZPQKINWGP-LUNKNMTDSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001754133403 1188754535 /nfs/dbraw/zinc/75/45/35/1188754535.db2.gz JEKZEZPQKINWGP-LUNKNMTDSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2cncn2C)C1 ZINC001754395407 1188844166 /nfs/dbraw/zinc/84/41/66/1188844166.db2.gz CAKXWYNAWNDCNY-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001754407555 1188847924 /nfs/dbraw/zinc/84/79/24/1188847924.db2.gz DNMSUEFWGKFIAR-ZDUSSCGKSA-N 1 3 308.430 0.095 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001754407555 1188847926 /nfs/dbraw/zinc/84/79/26/1188847926.db2.gz DNMSUEFWGKFIAR-ZDUSSCGKSA-N 1 3 308.430 0.095 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001754416525 1188849869 /nfs/dbraw/zinc/84/98/69/1188849869.db2.gz PIZFTAXRCRROMU-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001755015004 1188996849 /nfs/dbraw/zinc/99/68/49/1188996849.db2.gz WPRZOEADUYTHKW-MUBLQREKSA-N 1 3 303.834 0.898 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C)C(N)=O ZINC001755762459 1189203686 /nfs/dbraw/zinc/20/36/86/1189203686.db2.gz CTZIFRLNWDBPAF-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CC(=O)NCCNC(=O)CC1CC[NH+](C)CC1)C1CCC1 ZINC001757993569 1189666313 /nfs/dbraw/zinc/66/63/13/1189666313.db2.gz JNGRGCOAOHZYIJ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001758193367 1189775992 /nfs/dbraw/zinc/77/59/92/1189775992.db2.gz UKALFSYOCQPGMD-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001771744994 1190486923 /nfs/dbraw/zinc/48/69/23/1190486923.db2.gz NGSPCHATVMJDPN-GVXVVHGQSA-N 1 3 309.418 0.209 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC3CC[NH2+]CC3)CC2)CC1 ZINC001771891550 1190543562 /nfs/dbraw/zinc/54/35/62/1190543562.db2.gz NYRQTSMUAHNOGJ-UHFFFAOYSA-N 1 3 323.485 0.407 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@H]1CCS(=O)(=O)C1)CC2 ZINC001771930578 1190562092 /nfs/dbraw/zinc/56/20/92/1190562092.db2.gz KYNRYGOVVIEIHB-CHWSQXEVSA-N 1 3 302.440 0.251 20 0 DCADHO COc1ccc([C@@H](CNC(=O)C[C@H](O)C[NH3+])N2CCCC2)cc1 ZINC001772219291 1190633258 /nfs/dbraw/zinc/63/32/58/1190633258.db2.gz NUNJEHJYQKYQQJ-GOEBONIOSA-N 1 3 321.421 0.658 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001772222283 1190633494 /nfs/dbraw/zinc/63/34/94/1190633494.db2.gz FJOCGYFGDKKAAF-SMDDNHRTSA-N 1 3 318.421 0.969 20 0 DCADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H](N)C(C)(C)O)cc1 ZINC001772223541 1190634633 /nfs/dbraw/zinc/63/46/33/1190634633.db2.gz ACTBTURBRIOEFR-OAHLLOKOSA-N 1 3 323.437 0.384 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc2c(c1)OCCNC2 ZINC001772230468 1190637727 /nfs/dbraw/zinc/63/77/27/1190637727.db2.gz DSUPMNXJNMPQKT-AWEZNQCLSA-N 1 3 305.378 0.277 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001772244874 1190641380 /nfs/dbraw/zinc/64/13/80/1190641380.db2.gz AKEFEBLKINFOIH-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001772244874 1190641382 /nfs/dbraw/zinc/64/13/82/1190641382.db2.gz AKEFEBLKINFOIH-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1cccnc1 ZINC001772273568 1190650307 /nfs/dbraw/zinc/65/03/07/1190650307.db2.gz BJCRAOWSBBLQHF-JKSUJKDBSA-N 1 3 320.437 0.959 20 0 DCADHO O=C(N1CC[C@H]2[C@H]1CCCN2CCO)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001772316252 1190661200 /nfs/dbraw/zinc/66/12/00/1190661200.db2.gz RCKITOVWMFUOAZ-HWMZRRJGSA-N 1 3 307.438 0.576 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@@H]2CC[NH2+]2)CC1 ZINC001577778372 1164792382 /nfs/dbraw/zinc/79/23/82/1164792382.db2.gz WFILTUMCGBBEPL-CABCVRRESA-N 1 3 311.474 0.263 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077553177 751441842 /nfs/dbraw/zinc/44/18/42/751441842.db2.gz FBUNSVRDZXTXCH-ARFHVFGLSA-N 1 3 309.454 0.680 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077553177 751441845 /nfs/dbraw/zinc/44/18/45/751441845.db2.gz FBUNSVRDZXTXCH-ARFHVFGLSA-N 1 3 309.454 0.680 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001127685294 751628460 /nfs/dbraw/zinc/62/84/60/751628460.db2.gz LUUGEKWGYBYNQR-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001127685294 751628462 /nfs/dbraw/zinc/62/84/62/751628462.db2.gz LUUGEKWGYBYNQR-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(C(C)C)C2=O)CC[N@@H+]1C ZINC001127707149 751854553 /nfs/dbraw/zinc/85/45/53/751854553.db2.gz VXYURMRBNORWFE-RRFJBIMHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(C(C)C)C2=O)CC[N@H+]1C ZINC001127707149 751854562 /nfs/dbraw/zinc/85/45/62/751854562.db2.gz VXYURMRBNORWFE-RRFJBIMHSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238514486 751876804 /nfs/dbraw/zinc/87/68/04/751876804.db2.gz AUJBVWHOVSGNIU-KBPBESRZSA-N 1 3 303.472 0.778 20 0 DCADHO CCCN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783533 751978665 /nfs/dbraw/zinc/97/86/65/751978665.db2.gz XQKRLPFLGKEFAN-SJORKVTESA-N 1 3 319.449 0.976 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779649 752064558 /nfs/dbraw/zinc/06/45/58/752064558.db2.gz PGWIWPWTLNMMMU-CABCVRRESA-N 1 3 304.394 0.151 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779649 752064567 /nfs/dbraw/zinc/06/45/67/752064567.db2.gz PGWIWPWTLNMMMU-CABCVRRESA-N 1 3 304.394 0.151 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001167223830 747025927 /nfs/dbraw/zinc/02/59/27/747025927.db2.gz AXMPIPORTSCYIQ-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001167232625 747031654 /nfs/dbraw/zinc/03/16/54/747031654.db2.gz KJTXTOMNBDNPKU-ZIAGYGMSSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001100681447 747609932 /nfs/dbraw/zinc/60/99/32/747609932.db2.gz JSDFIPVUSXPGEY-RUXDESIVSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCO)C2)C1 ZINC001104681950 747827404 /nfs/dbraw/zinc/82/74/04/747827404.db2.gz UIZPERRSYAJOBN-BZUAXINKSA-N 1 3 311.470 0.785 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220061985 747922425 /nfs/dbraw/zinc/92/24/25/747922425.db2.gz HWYUDQAUONQVBQ-MTJIALIYSA-N 1 3 303.472 0.463 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220061985 747922427 /nfs/dbraw/zinc/92/24/27/747922427.db2.gz HWYUDQAUONQVBQ-MTJIALIYSA-N 1 3 303.472 0.463 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)N(C)C ZINC001112531208 748362889 /nfs/dbraw/zinc/36/28/89/748362889.db2.gz LDKYCIGYBYAAOD-XEZPLFJOSA-N 1 3 310.442 0.030 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029766 749096865 /nfs/dbraw/zinc/09/68/65/749096865.db2.gz JMGUOMAWSQMKHP-UKRRQHHQSA-N 1 3 320.441 0.428 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029766 749096873 /nfs/dbraw/zinc/09/68/73/749096873.db2.gz JMGUOMAWSQMKHP-UKRRQHHQSA-N 1 3 320.441 0.428 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086558866 761931379 /nfs/dbraw/zinc/93/13/79/761931379.db2.gz XWKOQAXAWSRVPH-XUXIUFHCSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518779 750087463 /nfs/dbraw/zinc/08/74/63/750087463.db2.gz PVLFUKGDFFRSHN-XHSDSOJGSA-N 1 3 311.470 0.782 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518779 750087470 /nfs/dbraw/zinc/08/74/70/750087470.db2.gz PVLFUKGDFFRSHN-XHSDSOJGSA-N 1 3 311.470 0.782 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC001120527839 750672340 /nfs/dbraw/zinc/67/23/40/750672340.db2.gz YAPFTSQIPXKAEA-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC001120527839 750672344 /nfs/dbraw/zinc/67/23/44/750672344.db2.gz YAPFTSQIPXKAEA-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727125 751086975 /nfs/dbraw/zinc/08/69/75/751086975.db2.gz MAIUGOANZOBNEB-HNKHHVNMSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)CC[N@H+]1C ZINC001083727125 751086982 /nfs/dbraw/zinc/08/69/82/751086982.db2.gz MAIUGOANZOBNEB-HNKHHVNMSA-N 1 3 309.454 0.678 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633228 751209327 /nfs/dbraw/zinc/20/93/27/751209327.db2.gz FVMWFJIKCVXEAM-UMVBOHGHSA-N 1 3 312.458 0.003 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+][C@H](CC)C(N)=O ZINC001168607577 752678768 /nfs/dbraw/zinc/67/87/68/752678768.db2.gz WPLQFIVEYUQCRR-CQSZACIVSA-N 1 3 314.474 0.858 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)CN1CCCC1 ZINC001044857793 752905034 /nfs/dbraw/zinc/90/50/34/752905034.db2.gz NVKDOZCBLSXECW-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCCC1 ZINC001044858953 752905985 /nfs/dbraw/zinc/90/59/85/752905985.db2.gz XYRZBHPFZSSMRL-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978924 752938588 /nfs/dbraw/zinc/93/85/88/752938588.db2.gz RNAOJGIBFBEVHD-HZPDHXFCSA-N 1 3 309.454 0.678 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CNCCO[C@H]2CCCCO2)cnn1C ZINC001579530294 1165339276 /nfs/dbraw/zinc/33/92/76/1165339276.db2.gz STTDNZAULHGLLC-ZBFHGGJFSA-N 1 3 310.442 0.979 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001078473386 753256566 /nfs/dbraw/zinc/25/65/66/753256566.db2.gz XRWPMVMOVHVXPU-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001078479299 753259339 /nfs/dbraw/zinc/25/93/39/753259339.db2.gz WNWAWJFULVGUGO-DZGCQCFKSA-N 1 3 322.409 0.196 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045775997 753327022 /nfs/dbraw/zinc/32/70/22/753327022.db2.gz CNIGDCXABIIDTM-OWCLPIDISA-N 1 3 309.454 0.917 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045775997 753327027 /nfs/dbraw/zinc/32/70/27/753327027.db2.gz CNIGDCXABIIDTM-OWCLPIDISA-N 1 3 309.454 0.917 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046062141 753455849 /nfs/dbraw/zinc/45/58/49/753455849.db2.gz BKQBSTRRBMKOQQ-CVEARBPZSA-N 1 3 310.486 0.955 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001046062141 753455855 /nfs/dbraw/zinc/45/58/55/753455855.db2.gz BKQBSTRRBMKOQQ-CVEARBPZSA-N 1 3 310.486 0.955 20 0 DCADHO CCCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066470 753459963 /nfs/dbraw/zinc/45/99/63/753459963.db2.gz MADGXOXCUKANLT-INIZCTEOSA-N 1 3 319.453 0.971 20 0 DCADHO CCCC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066470 753459969 /nfs/dbraw/zinc/45/99/69/753459969.db2.gz MADGXOXCUKANLT-INIZCTEOSA-N 1 3 319.453 0.971 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001128779180 754273097 /nfs/dbraw/zinc/27/30/97/754273097.db2.gz RCYGDTNYSZLKCR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001128779180 754273101 /nfs/dbraw/zinc/27/31/01/754273101.db2.gz RCYGDTNYSZLKCR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128782851 754280162 /nfs/dbraw/zinc/28/01/62/754280162.db2.gz CKMRZNIKBIMTGH-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128782851 754280168 /nfs/dbraw/zinc/28/01/68/754280168.db2.gz CKMRZNIKBIMTGH-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047442266 754286669 /nfs/dbraw/zinc/28/66/69/754286669.db2.gz WYMQEGKFNAWNDA-GJZGRUSLSA-N 1 3 309.454 0.774 20 0 DCADHO COCCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001047444074 754287542 /nfs/dbraw/zinc/28/75/42/754287542.db2.gz VYCOWODDMGPDCQ-GJZGRUSLSA-N 1 3 318.377 0.098 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001168755677 754426219 /nfs/dbraw/zinc/42/62/19/754426219.db2.gz PFBJUTJSVHKHHJ-UHFFFAOYSA-N 1 3 308.426 0.323 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCN2CCN(C)CC2)[C@H](C)C1 ZINC001143238431 754517933 /nfs/dbraw/zinc/51/79/33/754517933.db2.gz UOCSPNIFHNCZKF-HZPDHXFCSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)CCN2CCN(C)CC2)[C@H](C)C1 ZINC001143238431 754517936 /nfs/dbraw/zinc/51/79/36/754517936.db2.gz UOCSPNIFHNCZKF-HZPDHXFCSA-N 1 3 310.486 0.859 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862798 754985122 /nfs/dbraw/zinc/98/51/22/754985122.db2.gz AHKUWLOCCMKDHV-DMRZNYOFSA-N 1 3 309.454 0.752 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048862798 754985127 /nfs/dbraw/zinc/98/51/27/754985127.db2.gz AHKUWLOCCMKDHV-DMRZNYOFSA-N 1 3 309.454 0.752 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1)N(C)C ZINC001063101617 755105791 /nfs/dbraw/zinc/10/57/91/755105791.db2.gz WNJYQCGFKCRQKX-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1)N(C)C ZINC001063101617 755105795 /nfs/dbraw/zinc/10/57/95/755105795.db2.gz WNJYQCGFKCRQKX-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1)N(C)C ZINC001063498030 755190626 /nfs/dbraw/zinc/19/06/26/755190626.db2.gz JXEKJQJGZITLFP-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1)N(C)C ZINC001063498030 755190628 /nfs/dbraw/zinc/19/06/28/755190628.db2.gz JXEKJQJGZITLFP-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1)N(C)C ZINC001063738228 755255295 /nfs/dbraw/zinc/25/52/95/755255295.db2.gz JXEKJQJGZITLFP-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1)N(C)C ZINC001063738228 755255297 /nfs/dbraw/zinc/25/52/97/755255297.db2.gz JXEKJQJGZITLFP-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072317039 762437575 /nfs/dbraw/zinc/43/75/75/762437575.db2.gz JNOPDPTVPHMCHZ-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001054296423 756426572 /nfs/dbraw/zinc/42/65/72/756426572.db2.gz BPGRLOAGHAGOCK-MGPQQGTHSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC)Cc1cncc(N(C)S(=O)(=O)CC[NH3+])c1 ZINC001164297482 756718095 /nfs/dbraw/zinc/71/80/95/756718095.db2.gz UYFMFBMDLZYBAC-UHFFFAOYSA-N 1 3 300.428 0.648 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001055347751 756779988 /nfs/dbraw/zinc/77/99/88/756779988.db2.gz AHSLSKALYFKALF-GASCZTMLSA-N 1 3 324.469 0.197 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1)N(C)C ZINC001055385004 756783462 /nfs/dbraw/zinc/78/34/62/756783462.db2.gz KKMQOBGHPXRONU-QLFBSQMISA-N 1 3 324.469 0.195 20 0 DCADHO CO[C@@H]1CN(CC[C@@H](C)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082329045 757038695 /nfs/dbraw/zinc/03/86/95/757038695.db2.gz YGOJPDFUHMVOEJ-MGPQQGTHSA-N 1 3 313.417 0.646 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCF ZINC001082653522 757214937 /nfs/dbraw/zinc/21/49/37/757214937.db2.gz PCXRFZYWUZXZHB-AYVTUFRQSA-N 1 3 311.401 0.256 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001050236443 757526181 /nfs/dbraw/zinc/52/61/81/757526181.db2.gz QNHIFMYOYXYTJK-TZMCWYRMSA-N 1 3 319.409 0.059 20 0 DCADHO COCCN1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347128 757797067 /nfs/dbraw/zinc/79/70/67/757797067.db2.gz IEVPYMVGCNNFHL-OWCLPIDISA-N 1 3 307.438 0.507 20 0 DCADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc(F)c(C2CC[NH2+]CC2)n1 ZINC001170339824 762622222 /nfs/dbraw/zinc/62/22/22/762622222.db2.gz HGMCQEWAOVDULX-UHFFFAOYSA-N 1 3 320.372 0.784 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157730975 762637158 /nfs/dbraw/zinc/63/71/58/762637158.db2.gz QGGASWKFHITIMD-MJBXVCDLSA-N 1 3 303.422 0.661 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC001051848307 758987186 /nfs/dbraw/zinc/98/71/86/758987186.db2.gz OTXKSUNSYMLTID-CABCVRRESA-N 1 3 322.409 0.338 20 0 DCADHO CC(C)OCCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985265 759072302 /nfs/dbraw/zinc/07/23/02/759072302.db2.gz AIMLFKKHEAFAMN-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1ccccc1CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986493 759116755 /nfs/dbraw/zinc/11/67/55/759116755.db2.gz LPDWYHQYJXDAOK-IAGOWNOFSA-N 1 3 319.449 0.998 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147823863 767851908 /nfs/dbraw/zinc/85/19/08/767851908.db2.gz FBBQMYSSWGKGBZ-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC001147822843 767852346 /nfs/dbraw/zinc/85/23/46/767852346.db2.gz BUFJHAQYCVPBRG-GJZGRUSLSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147822769 767852390 /nfs/dbraw/zinc/85/23/90/767852390.db2.gz ACLQRTULHARPTA-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826526 767853138 /nfs/dbraw/zinc/85/31/38/767853138.db2.gz XFPYNXMQRPOVTI-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086085011 759693972 /nfs/dbraw/zinc/69/39/72/759693972.db2.gz NZWGSDUIHHUACJ-BARDWOONSA-N 1 3 322.453 0.232 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001086271915 759932149 /nfs/dbraw/zinc/93/21/49/759932149.db2.gz OFZOMNPWTMXPRT-CWRNSKLLSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001086271915 759932157 /nfs/dbraw/zinc/93/21/57/759932157.db2.gz OFZOMNPWTMXPRT-CWRNSKLLSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncoc1C[NH2+]CCNC(=O)c1cnccc1N(C)C ZINC001148051201 767905004 /nfs/dbraw/zinc/90/50/04/767905004.db2.gz BYHDOTJCZSQJHF-UHFFFAOYSA-N 1 3 303.366 0.964 20 0 DCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001169139874 760593244 /nfs/dbraw/zinc/59/32/44/760593244.db2.gz OJEHSZPNTOLQBE-IVSAIRAKSA-N 1 3 320.437 0.034 20 0 DCADHO CC(=O)N1CC(=O)NC[C@]12CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC001169139874 760593249 /nfs/dbraw/zinc/59/32/49/760593249.db2.gz OJEHSZPNTOLQBE-IVSAIRAKSA-N 1 3 320.437 0.034 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCc2cnn(C)c2)C1 ZINC001129338454 760767933 /nfs/dbraw/zinc/76/79/33/760767933.db2.gz AEYGRNIAFLDYQY-HNNXBMFYSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCc2cnn(C)c2)C1 ZINC001129338454 760767940 /nfs/dbraw/zinc/76/79/40/760767940.db2.gz AEYGRNIAFLDYQY-HNNXBMFYSA-N 1 3 307.442 0.604 20 0 DCADHO COc1cc(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)ccn1 ZINC001129350406 760942851 /nfs/dbraw/zinc/94/28/51/760942851.db2.gz AQFQWKAVZHUOAD-UHFFFAOYSA-N 1 3 306.410 0.780 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364844 761054886 /nfs/dbraw/zinc/05/48/86/761054886.db2.gz ZZBNDGYGGQGSKG-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070275561 761160735 /nfs/dbraw/zinc/16/07/35/761160735.db2.gz SMKZFYDOVQMTBY-KFWWJZLASA-N 1 3 320.441 0.512 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070534760 761297786 /nfs/dbraw/zinc/29/77/86/761297786.db2.gz MQCHCKDAULHISU-IJEWVQPXSA-N 1 3 319.453 0.808 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001148638688 768027639 /nfs/dbraw/zinc/02/76/39/768027639.db2.gz NJLMKWJLMOBMDQ-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070689744 761397817 /nfs/dbraw/zinc/39/78/17/761397817.db2.gz NBMASTSUGQSGTM-RBSFLKMASA-N 1 3 319.453 0.666 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001070694961 761400665 /nfs/dbraw/zinc/40/06/65/761400665.db2.gz JOKWMCXVMCPRKD-CHWSQXEVSA-N 1 3 302.382 0.290 20 0 DCADHO CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980719 761629800 /nfs/dbraw/zinc/62/98/00/761629800.db2.gz YDHQOVIEUPVYHU-ILXRZTDVSA-N 1 3 313.442 0.323 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099162274 762821970 /nfs/dbraw/zinc/82/19/70/762821970.db2.gz ATFITNVRQMORAE-YOEHRIQHSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1cnn(C)c1 ZINC001129411229 762931221 /nfs/dbraw/zinc/93/12/21/762931221.db2.gz XWGGASJHCKTJMH-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1cnn(C)c1 ZINC001129411229 762931225 /nfs/dbraw/zinc/93/12/25/762931225.db2.gz XWGGASJHCKTJMH-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001129421533 762934449 /nfs/dbraw/zinc/93/44/49/762934449.db2.gz ACDBPQWUKBDORF-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001129421533 762934453 /nfs/dbraw/zinc/93/44/53/762934453.db2.gz ACDBPQWUKBDORF-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)C1CCCCC1)C1CC1 ZINC001129443089 762945074 /nfs/dbraw/zinc/94/50/74/762945074.db2.gz HWVLUZLCDPSIED-CVEARBPZSA-N 1 3 311.470 0.974 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129855644 763025902 /nfs/dbraw/zinc/02/59/02/763025902.db2.gz IEIUVDUHHMKHES-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129855644 763025910 /nfs/dbraw/zinc/02/59/10/763025910.db2.gz IEIUVDUHHMKHES-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001130197721 763172739 /nfs/dbraw/zinc/17/27/39/763172739.db2.gz NOXPNODUTIXLDY-CQSZACIVSA-N 1 3 306.410 0.332 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)c1ccccc1F)N(C)C ZINC001130201189 763184364 /nfs/dbraw/zinc/18/43/64/763184364.db2.gz XJQWXYAVSMEOJN-CABCVRRESA-N 1 3 311.401 0.905 20 0 DCADHO CC[N@H+](C)CCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 ZINC001130439878 763318549 /nfs/dbraw/zinc/31/85/49/763318549.db2.gz XIJFDIUFRNNOGB-CYBMUJFWSA-N 1 3 323.441 0.149 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 ZINC001130439878 763318558 /nfs/dbraw/zinc/31/85/58/763318558.db2.gz XIJFDIUFRNNOGB-CYBMUJFWSA-N 1 3 323.441 0.149 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001130713062 763450428 /nfs/dbraw/zinc/45/04/28/763450428.db2.gz AMJIMZDZRDZCTK-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001130713062 763450434 /nfs/dbraw/zinc/45/04/34/763450434.db2.gz AMJIMZDZRDZCTK-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001100405561 763554842 /nfs/dbraw/zinc/55/48/42/763554842.db2.gz BRZHEAIQZRKHIL-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001100769318 763773993 /nfs/dbraw/zinc/77/39/93/763773993.db2.gz DEFVBWKYQGAPQJ-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](Nc1ccc(CN2CC[NH2+]CC2)cc1)[C@H]1CNCCO1 ZINC001170566765 763853278 /nfs/dbraw/zinc/85/32/78/763853278.db2.gz HCNBVXLHZBTDKA-WMLDXEAASA-N 1 3 304.438 0.881 20 0 DCADHO C[C@H](Nc1ccc2c(C3C[NH2+]C3)ncn2c1)[C@@H]1CNCCO1 ZINC001170566847 763853500 /nfs/dbraw/zinc/85/35/00/763853500.db2.gz HTFKHDGYCYKDGN-NHYWBVRUSA-N 1 3 301.394 0.810 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001101037386 763930788 /nfs/dbraw/zinc/93/07/88/763930788.db2.gz KYFYZXJFUARLBV-UHFFFAOYSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC001101039494 763932594 /nfs/dbraw/zinc/93/25/94/763932594.db2.gz OHRHNWJCAOZONL-RUXDESIVSA-N 1 3 310.442 0.090 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786368 764031157 /nfs/dbraw/zinc/03/11/57/764031157.db2.gz PCDGPQWNCSRHIS-OAHLLOKOSA-N 1 3 305.426 0.500 20 0 DCADHO COCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375546 764077660 /nfs/dbraw/zinc/07/76/60/764077660.db2.gz YIZLMVCSPWEMJG-CJNGLKHVSA-N 1 3 306.410 0.769 20 0 DCADHO COCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375546 764077673 /nfs/dbraw/zinc/07/76/73/764077673.db2.gz YIZLMVCSPWEMJG-CJNGLKHVSA-N 1 3 306.410 0.769 20 0 DCADHO CC(C)(C(=O)NCCNCC(=O)NCC1CC1)[NH+]1CCCC1 ZINC001132280415 764350447 /nfs/dbraw/zinc/35/04/47/764350447.db2.gz IGESDGUKDBZBMK-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283791 764351609 /nfs/dbraw/zinc/35/16/09/764351609.db2.gz JAJTYPQQPLNQFD-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286160 764357895 /nfs/dbraw/zinc/35/78/95/764357895.db2.gz DROLUIXIAFMUGH-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCc1cnn(C)c1 ZINC001132278474 764361580 /nfs/dbraw/zinc/36/15/80/764361580.db2.gz PKFSYYUAOQKSDA-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294410 764581311 /nfs/dbraw/zinc/58/13/11/764581311.db2.gz XHOAYCKOWBWBPQ-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2cnn(C)c2)C1 ZINC001132737846 764614305 /nfs/dbraw/zinc/61/43/05/764614305.db2.gz RQAUXMVWAQPVOQ-OAHLLOKOSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2cnn(C)c2)C1 ZINC001132737846 764614310 /nfs/dbraw/zinc/61/43/10/764614310.db2.gz RQAUXMVWAQPVOQ-OAHLLOKOSA-N 1 3 307.442 0.748 20 0 DCADHO CCc1nocc1C[NH2+]CCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132858657 764686084 /nfs/dbraw/zinc/68/60/84/764686084.db2.gz DLPOAMHEZPOILG-HNNXBMFYSA-N 1 3 324.425 0.552 20 0 DCADHO COc1ccc(CNCCNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001132993463 764782784 /nfs/dbraw/zinc/78/27/84/764782784.db2.gz VJUADNJEKAEOER-UHFFFAOYSA-N 1 3 306.410 0.638 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051631 764802410 /nfs/dbraw/zinc/80/24/10/764802410.db2.gz IMXDCHCGQCISMV-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC2CCCC2)CC1 ZINC001133287305 764906928 /nfs/dbraw/zinc/90/69/28/764906928.db2.gz GTAOVGYVYMGBFW-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@H+](CCCO)C[C@H]2C)C1 ZINC001103435964 765054917 /nfs/dbraw/zinc/05/49/17/765054917.db2.gz GCOGWAYGYBEQBV-BZUAXINKSA-N 1 3 311.470 0.785 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[C@@H]2C[N@@H+](CCCO)C[C@H]2C)C1 ZINC001103435964 765054923 /nfs/dbraw/zinc/05/49/23/765054923.db2.gz GCOGWAYGYBEQBV-BZUAXINKSA-N 1 3 311.470 0.785 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001103663701 765102798 /nfs/dbraw/zinc/10/27/98/765102798.db2.gz PBDPSINSGCTTKF-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001103663701 765102804 /nfs/dbraw/zinc/10/28/04/765102804.db2.gz PBDPSINSGCTTKF-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103663479 765103457 /nfs/dbraw/zinc/10/34/57/765103457.db2.gz CZMLYMCYYXDBLG-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103663479 765103462 /nfs/dbraw/zinc/10/34/62/765103462.db2.gz CZMLYMCYYXDBLG-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752713 765120136 /nfs/dbraw/zinc/12/01/36/765120136.db2.gz VXBQHKHTZMDMHV-HUUCEWRRSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC001133819624 765149736 /nfs/dbraw/zinc/14/97/36/765149736.db2.gz JPGHTMSSLSHLRY-DOTOQJQBSA-N 1 3 319.449 0.780 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001133831558 765162306 /nfs/dbraw/zinc/16/23/06/765162306.db2.gz QGPCCOFFTJEYEJ-CYBMUJFWSA-N 1 3 318.421 0.476 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845880 765179901 /nfs/dbraw/zinc/17/99/01/765179901.db2.gz PGROINARPUQWLS-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845880 765179903 /nfs/dbraw/zinc/17/99/03/765179903.db2.gz PGROINARPUQWLS-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO COC[C@@H](C)[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856757 765182447 /nfs/dbraw/zinc/18/24/47/765182447.db2.gz PZXVUKQZYUIMDT-DOMZBBRYSA-N 1 3 303.422 0.940 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1)N(C)C ZINC001133967858 765260690 /nfs/dbraw/zinc/26/06/90/765260690.db2.gz GDERWULXVRPDNA-LSDHHAIUSA-N 1 3 311.401 0.905 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(C)C)N(C)C ZINC001133968514 765262027 /nfs/dbraw/zinc/26/20/27/765262027.db2.gz XPDANGNKJKOLTA-KBPBESRZSA-N 1 3 303.447 0.066 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCO)C1)N(C)C ZINC001112425689 765531946 /nfs/dbraw/zinc/53/19/46/765531946.db2.gz XOZKLHUYPMMHDS-UXLLHSPISA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)C1(N(C)C)CCC1 ZINC001134583087 765579727 /nfs/dbraw/zinc/57/97/27/765579727.db2.gz FLFDGOUREBXSOE-ZIAGYGMSSA-N 1 3 315.458 0.353 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)CN(C)C1CCC1 ZINC001134612169 765590393 /nfs/dbraw/zinc/59/03/93/765590393.db2.gz ISCJOCCNBCXVFF-STQMWFEESA-N 1 3 324.469 0.622 20 0 DCADHO C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001115126114 765599979 /nfs/dbraw/zinc/59/99/79/765599979.db2.gz IMESOLFJVOTNCV-FOLVSLTJSA-N 1 3 323.462 0.873 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772485 765665752 /nfs/dbraw/zinc/66/57/52/765665752.db2.gz DYQLVDYQBGCALR-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001134783194 765672538 /nfs/dbraw/zinc/67/25/38/765672538.db2.gz RXAGWIVDZPPPPH-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC001117984746 766187367 /nfs/dbraw/zinc/18/73/67/766187367.db2.gz ALMUZRXJPRJYNL-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086820240 766250967 /nfs/dbraw/zinc/25/09/67/766250967.db2.gz VMMYALVHGNWQGJ-RRFJBIMHSA-N 1 3 324.469 0.609 20 0 DCADHO NC(=O)c1ccc(C(F)(F)N[C@H](N)CCC[NH3+])nc1Cl ZINC001159779299 766265520 /nfs/dbraw/zinc/26/55/20/766265520.db2.gz FALITVOBOLFZTD-QMMMGPOBSA-N 1 3 307.732 0.497 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001171228180 767054494 /nfs/dbraw/zinc/05/44/94/767054494.db2.gz SNQBNAKBWQZDPC-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001171228180 767054500 /nfs/dbraw/zinc/05/45/00/767054500.db2.gz SNQBNAKBWQZDPC-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO C[C@@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001171261393 767328436 /nfs/dbraw/zinc/32/84/36/767328436.db2.gz UQBYXOMZGIDDEW-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001160839274 767350140 /nfs/dbraw/zinc/35/01/40/767350140.db2.gz RVUSGJPUUVANRK-UTUOFQBUSA-N 1 3 323.359 0.706 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595094 767487142 /nfs/dbraw/zinc/48/71/42/767487142.db2.gz WZRVCSCSPOOYPO-UONOGXRCSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 ZINC001146718878 767510646 /nfs/dbraw/zinc/51/06/46/767510646.db2.gz JEIOERZBYHFFEO-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 ZINC001146718878 767510653 /nfs/dbraw/zinc/51/06/53/767510653.db2.gz JEIOERZBYHFFEO-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCc1ccccc1 ZINC001146719986 767512835 /nfs/dbraw/zinc/51/28/35/767512835.db2.gz ZMCQMJRSTDZPEO-UHFFFAOYSA-N 1 3 320.437 0.350 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCc1ccccc1 ZINC001146719986 767512840 /nfs/dbraw/zinc/51/28/40/767512840.db2.gz ZMCQMJRSTDZPEO-UHFFFAOYSA-N 1 3 320.437 0.350 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001121767323 767633816 /nfs/dbraw/zinc/63/38/16/767633816.db2.gz AZBRPBCNWGUJDW-FBVPLBQTSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCN(C)CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC001122377920 767787545 /nfs/dbraw/zinc/78/75/45/767787545.db2.gz SMGFWBMHKVGSOO-QGZVFWFLSA-N 1 3 318.465 0.652 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC1=CC[N@H+](CCCO)CC1 ZINC001161206368 768512350 /nfs/dbraw/zinc/51/23/50/768512350.db2.gz IVBDWKFIXTVQAR-OAHLLOKOSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC1=CC[N@@H+](CCCO)CC1 ZINC001161206368 768512355 /nfs/dbraw/zinc/51/23/55/768512355.db2.gz IVBDWKFIXTVQAR-OAHLLOKOSA-N 1 3 309.454 0.992 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)CCN3CCN(C)CC3)C[C@H]2C1 ZINC001143231713 768698882 /nfs/dbraw/zinc/69/88/82/768698882.db2.gz QISGWGRELWPWBT-IYBDPMFKSA-N 1 3 308.470 0.424 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)CCN3CCN(C)CC3)C[C@H]2C1 ZINC001143231713 768698885 /nfs/dbraw/zinc/69/88/85/768698885.db2.gz QISGWGRELWPWBT-IYBDPMFKSA-N 1 3 308.470 0.424 20 0 DCADHO CN1CCN(CCC(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001143238034 768699811 /nfs/dbraw/zinc/69/98/11/768699811.db2.gz VPVKDXZXVKEVIB-SHTZXODSSA-N 1 3 324.469 0.121 20 0 DCADHO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001093929672 768773129 /nfs/dbraw/zinc/77/31/29/768773129.db2.gz FGPGUIWYLYLWPA-HCBPCCMXSA-N 1 3 321.465 0.942 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149854216 768886698 /nfs/dbraw/zinc/88/66/98/768886698.db2.gz IQPHSSSQSWZKQZ-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149854216 768886713 /nfs/dbraw/zinc/88/67/13/768886713.db2.gz IQPHSSSQSWZKQZ-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(CCCF)CCCO2)CC1 ZINC001150186665 769032665 /nfs/dbraw/zinc/03/26/65/769032665.db2.gz SHQJIFCHUMQTIT-CQSZACIVSA-N 1 3 315.433 0.895 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606283 769137694 /nfs/dbraw/zinc/13/76/94/769137694.db2.gz DORYBJDDQATEBY-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO COCCC[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779804 769185247 /nfs/dbraw/zinc/18/52/47/769185247.db2.gz VXSICNMOAIQIFD-OAHLLOKOSA-N 1 3 315.458 0.570 20 0 DCADHO COCCC[N@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150779804 769185250 /nfs/dbraw/zinc/18/52/50/769185250.db2.gz VXSICNMOAIQIFD-OAHLLOKOSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001171586417 769316778 /nfs/dbraw/zinc/31/67/78/769316778.db2.gz NNICTRXPVZQAFS-OLZOCXBDSA-N 1 3 314.474 0.855 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCn1nc(C)cc1C ZINC001171763318 769369722 /nfs/dbraw/zinc/36/97/22/769369722.db2.gz YWYXEMRUKFPZDW-UHFFFAOYSA-N 1 3 309.458 0.938 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCC(C)C ZINC001171763279 769370127 /nfs/dbraw/zinc/37/01/27/769370127.db2.gz XITKIPGFJNVEAP-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)CN(C)CCC)C(N)=O ZINC001171770673 769372839 /nfs/dbraw/zinc/37/28/39/769372839.db2.gz WYTBXFOKVCYUSF-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)C(N)=O ZINC001172110561 769437349 /nfs/dbraw/zinc/43/73/49/769437349.db2.gz OLGIXMMCIFNQHR-RMEBNNNOSA-N 1 3 324.469 0.606 20 0 DCADHO CN(C1CN(C(=O)c2ccn3c[nH+]cc3c2)C1)[C@H]1CCOC1 ZINC001151905435 769442207 /nfs/dbraw/zinc/44/22/07/769442207.db2.gz MBJLYFRDPVTTJT-ZDUSSCGKSA-N 1 3 300.362 0.879 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001152149317 769491277 /nfs/dbraw/zinc/49/12/77/769491277.db2.gz XDEJEQPOCONABI-OKILXGFUSA-N 1 3 307.442 0.541 20 0 DCADHO COC[C@H](O)C[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245616 769515115 /nfs/dbraw/zinc/51/51/15/769515115.db2.gz IYOHKMSQXLZFHL-OAHLLOKOSA-N 1 3 309.410 0.075 20 0 DCADHO COC[C@H](O)C[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152393440 769546552 /nfs/dbraw/zinc/54/65/52/769546552.db2.gz NUINAYWBRDYSCQ-CQSZACIVSA-N 1 3 309.410 0.075 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001152458200 769566079 /nfs/dbraw/zinc/56/60/79/769566079.db2.gz MQWYQFNKHLNLOK-OAHLLOKOSA-N 1 3 307.442 0.543 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001152458966 769566177 /nfs/dbraw/zinc/56/61/77/769566177.db2.gz VDGKEOROVGQIEX-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1=O ZINC001152480343 769572952 /nfs/dbraw/zinc/57/29/52/769572952.db2.gz QZWYASKNCIDVLS-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]C[C@H](O)CNC1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173458375 769635944 /nfs/dbraw/zinc/63/59/44/769635944.db2.gz NKWJKSDJBDYKQO-INIZCTEOSA-N 1 3 321.421 0.103 20 0 DCADHO CO[C@H](C)CN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195411 769637567 /nfs/dbraw/zinc/63/75/67/769637567.db2.gz ZXJXMQYNMZEIAW-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCO[C@H]1CCOC1 ZINC001174691502 769780043 /nfs/dbraw/zinc/78/00/43/769780043.db2.gz MWQRYVFPCABHGM-AWEZNQCLSA-N 1 3 324.425 0.552 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CCCC[NH+]2CCCC2)C1=O ZINC001153314543 769780234 /nfs/dbraw/zinc/78/02/34/769780234.db2.gz LYKAPIQQPFZMRS-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCOC(=O)[C@@]12CN(Cc3cnc(N)cn3)C[C@@H]1CC[NH2+]CC2 ZINC001235350126 769820561 /nfs/dbraw/zinc/82/05/61/769820561.db2.gz UNLMXGQZJHOQLB-LRDDRELGSA-N 1 3 319.409 0.424 20 0 DCADHO Cn1cccc1C(=O)N[C@@H]1CN(CCCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001235494929 769860927 /nfs/dbraw/zinc/86/09/27/769860927.db2.gz UJBAKVWKMXXCNO-IIAWOOMASA-N 1 3 320.437 0.726 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCNC1=O ZINC001175769630 769958718 /nfs/dbraw/zinc/95/87/18/769958718.db2.gz SLSUIALZGCNUKY-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO [NH3+]C1CCN([C@H]2CCN(Cc3nc4c(s3)CNCC4)C2)CC1 ZINC001236621841 770013144 /nfs/dbraw/zinc/01/31/44/770013144.db2.gz KHOOCLYSBQXJDK-ZDUSSCGKSA-N 1 3 321.494 0.786 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2cc3n(n2)CCCC3)C1 ZINC001176058662 770024881 /nfs/dbraw/zinc/02/48/81/770024881.db2.gz ZPMKPYIEBHCQLT-CQSZACIVSA-N 1 3 319.453 0.767 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCc2cc3n(n2)CCCC3)C1 ZINC001176058662 770024894 /nfs/dbraw/zinc/02/48/94/770024894.db2.gz ZPMKPYIEBHCQLT-CQSZACIVSA-N 1 3 319.453 0.767 20 0 DCADHO COCCCN(Cc1nc2c(s1)CNCC2)[C@H]1CC[NH2+]C1 ZINC001236945206 770025759 /nfs/dbraw/zinc/02/57/59/770025759.db2.gz FTDYVQDGGBSSGA-LBPRGKRZSA-N 1 3 310.467 0.989 20 0 DCADHO Cc1cc(S(=O)(=O)NCCC[NH2+]CCCN)cnc1Cl ZINC001238879968 770141410 /nfs/dbraw/zinc/14/14/10/770141410.db2.gz ZLLSUGKNOMIURH-UHFFFAOYSA-N 1 3 320.846 0.650 20 0 DCADHO NCCS(=O)(=O)N(Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001239137822 770194090 /nfs/dbraw/zinc/19/40/90/770194090.db2.gz BVEKNEUMVFCEDQ-UHFFFAOYSA-N 1 3 315.414 0.668 20 0 DCADHO COC[C@H](O)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890110 770212429 /nfs/dbraw/zinc/21/24/29/770212429.db2.gz MZNPDWDPDXFJQS-MRXNPFEDSA-N 1 3 323.437 0.465 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)CN(C)C(C)C)C(N)=O ZINC001176975402 770265888 /nfs/dbraw/zinc/26/58/88/770265888.db2.gz PNCLZZLAKFBLLW-CYBMUJFWSA-N 1 3 300.447 0.467 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc2c(n1)CCNC2 ZINC001155226526 770440166 /nfs/dbraw/zinc/44/01/66/770440166.db2.gz CDCWIKNEQUCWNU-CQSZACIVSA-N 1 3 321.425 0.665 20 0 DCADHO CC(C)[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155789927 770616963 /nfs/dbraw/zinc/61/69/63/770616963.db2.gz IBFRJJDNWXDJPG-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356751 770731797 /nfs/dbraw/zinc/73/17/97/770731797.db2.gz QOOFTAMHVOPTTL-SOUVJXGZSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001178359108 770732164 /nfs/dbraw/zinc/73/21/64/770732164.db2.gz BUKULCTYRHJPGB-AEGPPILISA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H]([NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001178816193 770884070 /nfs/dbraw/zinc/88/40/70/770884070.db2.gz WJCMXUKBOZSNHD-ZIAGYGMSSA-N 1 3 314.474 0.857 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001179987325 771043364 /nfs/dbraw/zinc/04/33/64/771043364.db2.gz PWKZGNAVLXVZQM-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001180369700 771114097 /nfs/dbraw/zinc/11/40/97/771114097.db2.gz SSHRYUVAWRQZLA-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CCOCCO ZINC001180369432 771114110 /nfs/dbraw/zinc/11/41/10/771114110.db2.gz FNMKJAXLBYBYPG-UHFFFAOYSA-N 1 3 317.474 0.602 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001181671089 771329217 /nfs/dbraw/zinc/32/92/17/771329217.db2.gz JSEMZUPPQWKCTB-HLLBOEOZSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001151066143 771358603 /nfs/dbraw/zinc/35/86/03/771358603.db2.gz QUUVRYFFNZOHSR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001151066143 771358607 /nfs/dbraw/zinc/35/86/07/771358607.db2.gz QUUVRYFFNZOHSR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO COc1cc2c(cc1OC)[C@H](CNC(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001157424052 771606410 /nfs/dbraw/zinc/60/64/10/771606410.db2.gz VCWNFIQLDKWVNJ-JSGCOSHPSA-N 1 3 321.421 0.916 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001183240526 771628052 /nfs/dbraw/zinc/62/80/52/771628052.db2.gz JKFDFLXNDDYAFH-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001183240526 771628056 /nfs/dbraw/zinc/62/80/56/771628056.db2.gz JKFDFLXNDDYAFH-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO [NH3+][C@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2O)C[C@H]1F ZINC001157544737 771629267 /nfs/dbraw/zinc/62/92/67/771629267.db2.gz IWJQPZJTFMCCPB-NEPJUHHUSA-N 1 3 302.309 0.970 20 0 DCADHO O=C(N1CCC(=O)[C@H]2CCCC[C@@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157566962 771633716 /nfs/dbraw/zinc/63/37/16/771633716.db2.gz HIRORIFPWZOFHR-XJIUQZFPSA-N 1 3 305.422 0.546 20 0 DCADHO CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157593775 771638646 /nfs/dbraw/zinc/63/86/46/771638646.db2.gz WVIPADHCDWWLAO-RYUDHWBXSA-N 1 3 315.414 0.995 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+])N(C)C ZINC001183364840 771639737 /nfs/dbraw/zinc/63/97/37/771639737.db2.gz AWZYFCKSWXUPTG-BHPKHCPMSA-N 1 3 301.431 0.414 20 0 DCADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C1C=CN=C2N=CC=C21 ZINC001183590486 771671793 /nfs/dbraw/zinc/67/17/93/771671793.db2.gz RKJPQQPAQJOGBR-RYUDHWBXSA-N 1 3 308.345 0.980 20 0 DCADHO COc1ccc(N2CCN(CC3CC[NH+](C)CC3)CC2)nn1 ZINC001157836808 771678620 /nfs/dbraw/zinc/67/86/20/771678620.db2.gz NOFQQXHJSLJGAK-UHFFFAOYSA-N 1 3 305.426 0.949 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001157891350 771687895 /nfs/dbraw/zinc/68/78/95/771687895.db2.gz XBHDEDNECUKVMT-BXKDBHETSA-N 1 3 309.307 0.546 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157901295 771689870 /nfs/dbraw/zinc/68/98/70/771689870.db2.gz ZKKQRESNEYKXDR-OLZOCXBDSA-N 1 3 321.412 0.958 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158039702 771717642 /nfs/dbraw/zinc/71/76/42/771717642.db2.gz TZJMXDFSWVYEFZ-KGLIPLIRSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158039702 771717647 /nfs/dbraw/zinc/71/76/47/771717647.db2.gz TZJMXDFSWVYEFZ-KGLIPLIRSA-N 1 3 320.441 0.285 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)N(C)C ZINC001183940449 771719592 /nfs/dbraw/zinc/71/95/92/771719592.db2.gz VVPDECNQOBDDTN-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)(C(=O)NCCC[NH2+]CC(=O)NC1CC1)N1CCCCC1 ZINC001158073176 771721767 /nfs/dbraw/zinc/72/17/67/771721767.db2.gz KMLZKOQOMZTCFI-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO O=C(c1cncc2c1CCNC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158081975 771723460 /nfs/dbraw/zinc/72/34/60/771723460.db2.gz JYTOGRHSYSSDFP-UHFFFAOYSA-N 1 3 316.405 0.322 20 0 DCADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1CC[C@@]3(C1)CNCCO3)CC2 ZINC001158081482 771723479 /nfs/dbraw/zinc/72/34/79/771723479.db2.gz DJQRGPYNOOCYAN-SUMWQHHRSA-N 1 3 307.438 0.875 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180048 771735683 /nfs/dbraw/zinc/73/56/83/771735683.db2.gz RJEKJVFZQOMMBE-UNEWFSDZSA-N 1 3 321.396 0.532 20 0 DCADHO O=C(N1C[C@H]2c3ccccc3CN[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158327706 771760168 /nfs/dbraw/zinc/76/01/68/771760168.db2.gz NGCOZGMCGQKRPU-SCNOPHJPSA-N 1 3 312.417 0.036 20 0 DCADHO Cn1nnnc1CCC[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001184264799 771767284 /nfs/dbraw/zinc/76/72/84/771767284.db2.gz JWLQQASLIVYSQG-UHFFFAOYSA-N 1 3 322.457 0.766 20 0 DCADHO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001158533318 771786741 /nfs/dbraw/zinc/78/67/41/771786741.db2.gz KCFNBCPLEUAGLV-HEHGZKQESA-N 1 3 311.426 0.600 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cccc(N(C)C)n1 ZINC001184540976 771796098 /nfs/dbraw/zinc/79/60/98/771796098.db2.gz GCURFANQLHSKKP-UHFFFAOYSA-N 1 3 306.414 0.825 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CCOCCO ZINC001185207213 771879096 /nfs/dbraw/zinc/87/90/96/771879096.db2.gz WWGUCUWRVVAVDL-KBPBESRZSA-N 1 3 324.425 0.035 20 0 DCADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185249227 771888554 /nfs/dbraw/zinc/88/85/54/771888554.db2.gz RTKFDKOIPBOEGX-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc(N2CCC([NH3+])CC2)n1 ZINC001159300094 771892481 /nfs/dbraw/zinc/89/24/81/771892481.db2.gz PRRJQNHPMZNAMP-UHFFFAOYSA-N 1 3 317.397 0.105 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001159533262 771925308 /nfs/dbraw/zinc/92/53/08/771925308.db2.gz KHGGQQSYPUSIRS-HRCADAONSA-N 1 3 305.422 0.647 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1)N(C)C ZINC001185716545 771948831 /nfs/dbraw/zinc/94/88/31/771948831.db2.gz YJAJGJFJKMLGMF-YUELXQCFSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)N(C)CC2CC2)CCC1 ZINC001159853714 771968505 /nfs/dbraw/zinc/96/85/05/771968505.db2.gz JIWMNIXZTUFPQU-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)nn1 ZINC001159854915 771969082 /nfs/dbraw/zinc/96/90/82/771969082.db2.gz WXIQTIMNPVSJLO-UHFFFAOYSA-N 1 3 321.425 0.565 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001159861703 771969817 /nfs/dbraw/zinc/96/98/17/771969817.db2.gz QFLLWLYYLNTINX-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H](C2CC2)[NH+](C)C)nn1C ZINC001159914517 771976751 /nfs/dbraw/zinc/97/67/51/771976751.db2.gz DHDYUIXZBAAVCQ-HNNXBMFYSA-N 1 3 307.442 0.665 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001159932382 771979748 /nfs/dbraw/zinc/97/97/48/771979748.db2.gz PZPCGAHPSQPBBB-XJKSGUPXSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1nccnc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001160003678 771987127 /nfs/dbraw/zinc/98/71/27/771987127.db2.gz ZPDRDFDVZJFMCU-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO Cn1ccc(CNCCCNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001160274478 772017734 /nfs/dbraw/zinc/01/77/34/772017734.db2.gz TXINTKYXHPTGHN-OAHLLOKOSA-N 1 3 307.442 0.890 20 0 DCADHO Cn1ccc(CNCCCNC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001160274478 772017740 /nfs/dbraw/zinc/01/77/40/772017740.db2.gz TXINTKYXHPTGHN-OAHLLOKOSA-N 1 3 307.442 0.890 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001186487266 772045827 /nfs/dbraw/zinc/04/58/27/772045827.db2.gz IWRKVIXJFIJYKL-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO N[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160531290 772059921 /nfs/dbraw/zinc/05/99/21/772059921.db2.gz YKFVVILENMFWAC-HZPDHXFCSA-N 1 3 303.406 0.913 20 0 DCADHO Cn1cc2c(n1)CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)C2 ZINC001160559030 772065608 /nfs/dbraw/zinc/06/56/08/772065608.db2.gz ZLRSRAHLQFWNAR-CQSZACIVSA-N 1 3 303.410 0.179 20 0 DCADHO Cn1cc2c(n1)CCN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)C2 ZINC001160559030 772065611 /nfs/dbraw/zinc/06/56/11/772065611.db2.gz ZLRSRAHLQFWNAR-CQSZACIVSA-N 1 3 303.410 0.179 20 0 DCADHO COc1ccccc1CCN(C)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160596295 772075245 /nfs/dbraw/zinc/07/52/45/772075245.db2.gz FKZSFPZMEZCDDY-AWEZNQCLSA-N 1 3 303.406 0.505 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186738043 772080090 /nfs/dbraw/zinc/08/00/90/772080090.db2.gz DPYKEAMNOZDYGZ-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(n2cnnc2)CC1 ZINC001160718174 772102114 /nfs/dbraw/zinc/10/21/14/772102114.db2.gz CPVHMSIUHDSIRX-AWEZNQCLSA-N 1 3 318.425 0.316 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(n2cnnc2)CC1 ZINC001160718174 772102116 /nfs/dbraw/zinc/10/21/16/772102116.db2.gz CPVHMSIUHDSIRX-AWEZNQCLSA-N 1 3 318.425 0.316 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC001160754895 772106725 /nfs/dbraw/zinc/10/67/25/772106725.db2.gz OPCMAWUPYWEQJW-HUUCEWRRSA-N 1 3 307.394 0.359 20 0 DCADHO NC1(C(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC(F)C1 ZINC001160781592 772110599 /nfs/dbraw/zinc/11/05/99/772110599.db2.gz SHUXMXBKGXHNOA-CGBMDKKTSA-N 1 3 303.381 0.815 20 0 DCADHO O=C(c1[nH]nc2c1CNC2)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160785288 772110628 /nfs/dbraw/zinc/11/06/28/772110628.db2.gz KIQUPZUVRUFIRE-ACJLOTCBSA-N 1 3 323.400 0.626 20 0 DCADHO O=C([C@H]1CNC[C@H](F)C1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780422 772110634 /nfs/dbraw/zinc/11/06/34/772110634.db2.gz RCDVGGXVCVBFQO-IIVZCXTMSA-N 1 3 317.408 0.934 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889257 772132888 /nfs/dbraw/zinc/13/28/88/772132888.db2.gz GBPSZGBHLFMLSR-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001160889988 772132908 /nfs/dbraw/zinc/13/29/08/772132908.db2.gz RYLDCDLNSKHEAB-CYBMUJFWSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@H]2CN(Cc3ccccc3)CC[NH2+]2)CCN1 ZINC001161015005 772149387 /nfs/dbraw/zinc/14/93/87/772149387.db2.gz VQUJUEGUPWALRD-WBVHZDCISA-N 1 3 316.449 0.671 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187241205 772151992 /nfs/dbraw/zinc/15/19/92/772151992.db2.gz SKUDNXXALUFBNT-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161065701 772160944 /nfs/dbraw/zinc/16/09/44/772160944.db2.gz YQJVQMMBAUTGJY-XUXIUFHCSA-N 1 3 312.458 0.593 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001187290955 772161407 /nfs/dbraw/zinc/16/14/07/772161407.db2.gz FKBSTFHCKJJTNJ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])Cc2nnc(C(F)(F)F)n21 ZINC001161146775 772175382 /nfs/dbraw/zinc/17/53/82/772175382.db2.gz SDFZYBZECDNDBD-JGVFFNPUSA-N 1 3 320.319 0.266 20 0 DCADHO C[C@H]1CN(C(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)C[C@H](C)N1 ZINC001161229840 772187284 /nfs/dbraw/zinc/18/72/84/772187284.db2.gz XQGDEOHJZBAENL-MELADBBJSA-N 1 3 317.437 0.343 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161296749 772198186 /nfs/dbraw/zinc/19/81/86/772198186.db2.gz ULTGBEWXVZKJOJ-OLZOCXBDSA-N 1 3 307.398 0.303 20 0 DCADHO Cc1cccnc1O[C@@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161395667 772217385 /nfs/dbraw/zinc/21/73/85/772217385.db2.gz WRWPPFGALBPMLA-OLZOCXBDSA-N 1 3 324.450 0.389 20 0 DCADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001161436158 772223370 /nfs/dbraw/zinc/22/33/70/772223370.db2.gz GQPDFRWOUUMXNJ-MRXNPFEDSA-N 1 3 323.412 0.958 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834766 772231563 /nfs/dbraw/zinc/23/15/63/772231563.db2.gz HCMJNAAUGPDXGQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001187841971 772232871 /nfs/dbraw/zinc/23/28/71/772232871.db2.gz HOAPGIYNROXGOZ-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)[C@H]2NCCC[C@H]2C(F)(F)F)CC12COC2 ZINC001161511021 772237489 /nfs/dbraw/zinc/23/74/89/772237489.db2.gz VAYDODWZEKPIPM-BBBLOLIVSA-N 1 3 307.316 0.103 20 0 DCADHO O=C([C@H]1[C@@H](O)CCN1Cc1ccccc1)N1CC[NH2+]C2(CC2)C1 ZINC001161545111 772242735 /nfs/dbraw/zinc/24/27/35/772242735.db2.gz MMWZOPPZXMIMHJ-JKSUJKDBSA-N 1 3 315.417 0.586 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145418 772271613 /nfs/dbraw/zinc/27/16/13/772271613.db2.gz GBUKZGSYZSWZIB-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001188158313 772277630 /nfs/dbraw/zinc/27/76/30/772277630.db2.gz KUCBLUKZWLYWOB-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO Cn1ccc(CNCCCNC(=O)C23CCC[NH+]2CCC3)n1 ZINC001161788937 772283384 /nfs/dbraw/zinc/28/33/84/772283384.db2.gz CCJKAIZPTXVOBG-UHFFFAOYSA-N 1 3 305.426 0.644 20 0 DCADHO CCCN(C)CC(=O)NCC1(COC)CC[NH+](CCO)CC1 ZINC001162585198 772394751 /nfs/dbraw/zinc/39/47/51/772394751.db2.gz CUBIMJFRPNXWQG-UHFFFAOYSA-N 1 3 315.458 0.165 20 0 DCADHO CN1CCN(c2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)cc2)CC1 ZINC001163146530 772471443 /nfs/dbraw/zinc/47/14/43/772471443.db2.gz QYINZPQHOATLMR-BRWVUGGUSA-N 1 3 302.422 0.837 20 0 DCADHO CN1CCOc2c1cnnc2NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278272 772498477 /nfs/dbraw/zinc/49/84/77/772498477.db2.gz IMKJSYFUGUKUBY-LRDDRELGSA-N 1 3 319.409 0.876 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163821517 772577263 /nfs/dbraw/zinc/57/72/63/772577263.db2.gz MTEHGPXGVXHHBJ-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1cc(CN)nn1-c1ncccc1C(=O)NCCC[NH+](C)C ZINC001163980494 772601285 /nfs/dbraw/zinc/60/12/85/772601285.db2.gz WUERJFRUNIPVJO-UHFFFAOYSA-N 1 3 316.409 0.716 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc(CN(C)C2CC2)cn1 ZINC001165129040 772698993 /nfs/dbraw/zinc/69/89/93/772698993.db2.gz SXGDQYWJGRQCGV-OCCSQVGLSA-N 1 3 304.394 0.755 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCCNCC(=O)Nc2ccon2)CC1 ZINC001165270549 772713864 /nfs/dbraw/zinc/71/38/64/772713864.db2.gz FWSRQJHCXFXRII-UHFFFAOYSA-N 1 3 323.397 0.051 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001165484746 772742451 /nfs/dbraw/zinc/74/24/51/772742451.db2.gz IJIMBSDNNQEPPD-KBPBESRZSA-N 1 3 324.469 0.467 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165491836 772743070 /nfs/dbraw/zinc/74/30/70/772743070.db2.gz BYLCUQWIAWYMFC-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC001165718749 772757808 /nfs/dbraw/zinc/75/78/08/772757808.db2.gz QJXIZTMKLRTTKO-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C1CC[NH+](C)CC1 ZINC001165771808 772760998 /nfs/dbraw/zinc/76/09/98/772760998.db2.gz AMORYZIQSQXEQL-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001166010186 772778762 /nfs/dbraw/zinc/77/87/62/772778762.db2.gz JZBGLYLTAODAMM-ZIAGYGMSSA-N 1 3 314.474 0.713 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633216 772831821 /nfs/dbraw/zinc/83/18/21/772831821.db2.gz CQKALWLGFORGJC-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001166668088 772837146 /nfs/dbraw/zinc/83/71/46/772837146.db2.gz QKWNDKHOPORPOP-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001166668088 772837149 /nfs/dbraw/zinc/83/71/49/772837149.db2.gz QKWNDKHOPORPOP-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001166668082 772837586 /nfs/dbraw/zinc/83/75/86/772837586.db2.gz QFTVAHJNXCTHMZ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166692841 772842509 /nfs/dbraw/zinc/84/25/09/772842509.db2.gz QLGJAVKNGOHIMD-CZUORRHYSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166692841 772842512 /nfs/dbraw/zinc/84/25/12/772842512.db2.gz QLGJAVKNGOHIMD-CZUORRHYSA-N 1 3 319.453 0.623 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC001166695028 772842898 /nfs/dbraw/zinc/84/28/98/772842898.db2.gz ZOELFASQWFBSCX-WFASDCNBSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC001166695028 772842903 /nfs/dbraw/zinc/84/29/03/772842903.db2.gz ZOELFASQWFBSCX-WFASDCNBSA-N 1 3 305.426 0.579 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765313 772857823 /nfs/dbraw/zinc/85/78/23/772857823.db2.gz XFJPRKGKYSUFGE-UHFFFAOYSA-N 1 3 322.457 0.626 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001166851779 772870833 /nfs/dbraw/zinc/87/08/33/772870833.db2.gz GZVAMKUOAZOYCL-STQMWFEESA-N 1 3 300.447 0.467 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001205516195 772997710 /nfs/dbraw/zinc/99/77/10/772997710.db2.gz SDNQGWGUQTXGKS-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001206275565 773061541 /nfs/dbraw/zinc/06/15/41/773061541.db2.gz VDSJKKAGFGOCSY-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274648 773061649 /nfs/dbraw/zinc/06/16/49/773061649.db2.gz KZINRYJEWJRPQE-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001206275142 773061813 /nfs/dbraw/zinc/06/18/13/773061813.db2.gz OFPRFLDQOPRKPP-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO COCCOCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194038285 773142017 /nfs/dbraw/zinc/14/20/17/773142017.db2.gz JJBCHEDWTCEFLH-HNNXBMFYSA-N 1 3 313.442 0.278 20 0 DCADHO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194038285 773142020 /nfs/dbraw/zinc/14/20/20/773142020.db2.gz JJBCHEDWTCEFLH-HNNXBMFYSA-N 1 3 313.442 0.278 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001207231241 773184666 /nfs/dbraw/zinc/18/46/66/773184666.db2.gz HSGKGYLRCAEDLX-HZSPNIEDSA-N 1 3 303.422 0.485 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001207231241 773184669 /nfs/dbraw/zinc/18/46/69/773184669.db2.gz HSGKGYLRCAEDLX-HZSPNIEDSA-N 1 3 303.422 0.485 20 0 DCADHO c1ncc(O[C@@H]2C[C@H]3CN(CC4CC[NH2+]CC4)CCN3C2)cn1 ZINC001207435350 773205999 /nfs/dbraw/zinc/20/59/99/773205999.db2.gz MCSBQNSWWWCOCC-JKSUJKDBSA-N 1 3 317.437 0.614 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001207687246 773270384 /nfs/dbraw/zinc/27/03/84/773270384.db2.gz BNXYFYUYWMENTG-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152223597 773430540 /nfs/dbraw/zinc/43/05/40/773430540.db2.gz NJOUECATODMGDQ-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328588 773434133 /nfs/dbraw/zinc/43/41/33/773434133.db2.gz GDCGCZRGZYGZFX-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208372750 773445414 /nfs/dbraw/zinc/44/54/14/773445414.db2.gz BNLHWDSEVUGCMF-ILXRZTDVSA-N 1 3 315.458 0.161 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCOCCOC)C1)N(C)C ZINC001208414546 773455938 /nfs/dbraw/zinc/45/59/38/773455938.db2.gz SIIVYCOKFHFALI-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208447652 773463638 /nfs/dbraw/zinc/46/36/38/773463638.db2.gz PRGBCWITXVMOGW-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO COCCOCC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC001152245873 773529540 /nfs/dbraw/zinc/52/95/40/773529540.db2.gz NXRFDRYRXVYRPD-UHFFFAOYSA-N 1 3 323.437 0.731 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252305 773564158 /nfs/dbraw/zinc/56/41/58/773564158.db2.gz XMLGMXGNSMAOFB-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209456267 773606778 /nfs/dbraw/zinc/60/67/78/773606778.db2.gz YKAXDVVMXDQWLP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209940048 773660910 /nfs/dbraw/zinc/66/09/10/773660910.db2.gz JIUVEDGUNNJXRY-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001210674037 773728951 /nfs/dbraw/zinc/72/89/51/773728951.db2.gz LYYCUMOFACCYOE-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001210674037 773728955 /nfs/dbraw/zinc/72/89/55/773728955.db2.gz LYYCUMOFACCYOE-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674370 773729163 /nfs/dbraw/zinc/72/91/63/773729163.db2.gz UKLNAPPDQKYWSW-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674370 773729166 /nfs/dbraw/zinc/72/91/66/773729166.db2.gz UKLNAPPDQKYWSW-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211025990 773760321 /nfs/dbraw/zinc/76/03/21/773760321.db2.gz QUOAOVFKVPEVFS-RBSFLKMASA-N 1 3 313.442 0.038 20 0 DCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211025990 773760322 /nfs/dbraw/zinc/76/03/22/773760322.db2.gz QUOAOVFKVPEVFS-RBSFLKMASA-N 1 3 313.442 0.038 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1O ZINC001197493354 773761011 /nfs/dbraw/zinc/76/10/11/773761011.db2.gz JUMPVHZSZFCBPU-IAGOWNOFSA-N 1 3 319.449 0.732 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1O ZINC001197493354 773761014 /nfs/dbraw/zinc/76/10/14/773761014.db2.gz JUMPVHZSZFCBPU-IAGOWNOFSA-N 1 3 319.449 0.732 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001211063937 773764835 /nfs/dbraw/zinc/76/48/35/773764835.db2.gz DQHOYGOHILQGDT-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001211063937 773764839 /nfs/dbraw/zinc/76/48/39/773764839.db2.gz DQHOYGOHILQGDT-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001211270359 773789060 /nfs/dbraw/zinc/78/90/60/773789060.db2.gz ZSQBNHRJIFJFIR-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001211282871 773790101 /nfs/dbraw/zinc/79/01/01/773790101.db2.gz DUXKBFBGWLKJOA-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1OC ZINC001213671735 773873416 /nfs/dbraw/zinc/87/34/16/773873416.db2.gz RNEUEYHPMZSYJV-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1OC ZINC001213671735 773873419 /nfs/dbraw/zinc/87/34/19/773873419.db2.gz RNEUEYHPMZSYJV-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC ZINC001213678331 773874880 /nfs/dbraw/zinc/87/48/80/773874880.db2.gz PQKMFXQVBCWFDY-MGPQQGTHSA-N 1 3 303.422 0.892 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1OC ZINC001213678331 773874883 /nfs/dbraw/zinc/87/48/83/773874883.db2.gz PQKMFXQVBCWFDY-MGPQQGTHSA-N 1 3 303.422 0.892 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001203924532 774015225 /nfs/dbraw/zinc/01/52/25/774015225.db2.gz BNJSNBGHKMEPAY-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1noc2nc(OC[C@H]3C[NH2+]CCO3)c3c(c12)CCNC3 ZINC001218178540 774216030 /nfs/dbraw/zinc/21/60/30/774216030.db2.gz ZQGYESJIVKZTEK-SNVBAGLBSA-N 1 3 304.350 0.544 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cc(C[C@H](N)C(=O)N(C)C)ccc1O ZINC001218483640 774226957 /nfs/dbraw/zinc/22/69/57/774226957.db2.gz WWXNXCZXMQRNBA-FFSVYQOJSA-N 1 3 321.421 0.727 20 0 DCADHO Cc1cc2c(ncnc2NC(=O)[C@H]2C[NH2+]CC23CNC3)s1 ZINC001218501489 774229690 /nfs/dbraw/zinc/22/96/90/774229690.db2.gz MAPHXEJHKYZONG-SNVBAGLBSA-N 1 3 303.391 0.747 20 0 DCADHO CCOC(=O)c1ncn2c1cccc2NC(=O)[C@H](N)CCC[NH3+] ZINC001218531202 774239276 /nfs/dbraw/zinc/23/92/76/774239276.db2.gz LPQGLOHEGLWBIX-SNVBAGLBSA-N 1 3 319.365 0.516 20 0 DCADHO Nc1c(F)cnc(Br)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218572450 774252420 /nfs/dbraw/zinc/25/24/20/774252420.db2.gz YVVSFRSHMOGONR-ZCFIWIBFSA-N 1 3 320.166 0.570 20 0 DCADHO COC(=O)c1cc2cc(NC(=O)[C@H](N)CCC[NH3+])c[nH]c-2n1 ZINC001218670826 774278321 /nfs/dbraw/zinc/27/83/21/774278321.db2.gz MIYBNCPUTQISCI-SNVBAGLBSA-N 1 3 305.338 0.354 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1nc(N)cnc1Cl ZINC001218674350 774278347 /nfs/dbraw/zinc/27/83/47/774278347.db2.gz ZQPNXJJSJGISLK-QMMMGPOBSA-N 1 3 300.794 0.710 20 0 DCADHO CN(CC(=O)Nc1cc([C@@H]2CCCN2)no1)[C@@H]1CCC[NH2+]C1 ZINC001218710266 774286158 /nfs/dbraw/zinc/28/61/58/774286158.db2.gz DMJNPMDGUQYTTL-NEPJUHHUSA-N 1 3 307.398 0.721 20 0 DCADHO CCOc1cc(NC(=O)[C@H](N)CCC[NH3+])cc(C(=O)OC)n1 ZINC001218716690 774287762 /nfs/dbraw/zinc/28/77/62/774287762.db2.gz ADEHGVCWZUXJQR-SNVBAGLBSA-N 1 3 310.354 0.272 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1cnc(-n2nccn2)c(Cl)c1 ZINC001218805072 774306363 /nfs/dbraw/zinc/30/63/63/774306363.db2.gz STBWWAOCPVCHES-SNVBAGLBSA-N 1 3 309.761 0.320 20 0 DCADHO [NH3+][C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)C1CC[NH2+]CC1 ZINC001218854734 774314879 /nfs/dbraw/zinc/31/48/79/774314879.db2.gz AEFLZZNWGVIGQJ-LBPRGKRZSA-N 1 3 301.354 0.132 20 0 DCADHO CN1c2ccc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2CC1=O ZINC001219020819 774348930 /nfs/dbraw/zinc/34/89/30/774348930.db2.gz NWVSJOLRYUWWGV-HNNXBMFYSA-N 1 3 302.378 0.471 20 0 DCADHO CN1C(=O)Cc2cc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)ccc21 ZINC001219020766 774349044 /nfs/dbraw/zinc/34/90/44/774349044.db2.gz MBJZAJPNFQJRTJ-SJKOYZFVSA-N 1 3 314.389 0.343 20 0 DCADHO CN1c2ccc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2CC1=O ZINC001219020820 774349059 /nfs/dbraw/zinc/34/90/59/774349059.db2.gz NWVSJOLRYUWWGV-OAHLLOKOSA-N 1 3 302.378 0.471 20 0 DCADHO C[C@@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]C[C@H]1O ZINC001219027948 774350678 /nfs/dbraw/zinc/35/06/78/774350678.db2.gz JCDMBYGYHBAPSY-GDBMZVCRSA-N 1 3 305.378 0.468 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCCF)C2)CC[N@@H+]1C ZINC001200555140 774368166 /nfs/dbraw/zinc/36/81/66/774368166.db2.gz OVQALLAVCVUZMK-QLFBSQMISA-N 1 3 315.433 0.893 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCCF)C2)CC[N@H+]1C ZINC001200555140 774368173 /nfs/dbraw/zinc/36/81/73/774368173.db2.gz OVQALLAVCVUZMK-QLFBSQMISA-N 1 3 315.433 0.893 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCCO[C@H](C[NH2+]CCF)C1 ZINC001200634937 774381143 /nfs/dbraw/zinc/38/11/43/774381143.db2.gz OEDXLXTVUJQDFU-ZIAGYGMSSA-N 1 3 321.412 0.843 20 0 DCADHO [NH3+][C@H]1CCCN(c2ccc(NC(=O)[C@@H]3CNCCN3)cc2)C1 ZINC001219236597 774418736 /nfs/dbraw/zinc/41/87/36/774418736.db2.gz XLVPACGFNBINKF-WFASDCNBSA-N 1 3 303.410 0.114 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053465 774445582 /nfs/dbraw/zinc/44/55/82/774445582.db2.gz PUROINGNFVTTAQ-RISCZKNCSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1)N(C)C ZINC001201239809 774468751 /nfs/dbraw/zinc/46/87/51/774468751.db2.gz NCBPKNSAKOLBJF-GXTWGEPZSA-N 1 3 312.458 0.384 20 0 DCADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001219386392 774474471 /nfs/dbraw/zinc/47/44/71/774474471.db2.gz ITZLBULLXMCGCN-NSHDSACASA-N 1 3 305.338 0.182 20 0 DCADHO O=C(Nc1ccc2oc(=O)ccc2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219391214 774475500 /nfs/dbraw/zinc/47/55/00/774475500.db2.gz NVKIWLAYMVLAQF-SJKOYZFVSA-N 1 3 313.357 0.931 20 0 DCADHO NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001219416860 774483524 /nfs/dbraw/zinc/48/35/24/774483524.db2.gz CMOQJBOWICVWAM-AWEZNQCLSA-N 1 3 315.377 0.532 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001201321805 774487346 /nfs/dbraw/zinc/48/73/46/774487346.db2.gz WMMMDBUZUDCAKD-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001201321216 774487433 /nfs/dbraw/zinc/48/74/33/774487433.db2.gz HWPGCXCBCRPCAV-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(O)cc(C(N)=O)c1 ZINC001219441955 774496545 /nfs/dbraw/zinc/49/65/45/774496545.db2.gz YDDGXMDMFYUTBP-AWEZNQCLSA-N 1 3 322.409 0.925 20 0 DCADHO CC(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1)N(C)C ZINC001201344984 774497380 /nfs/dbraw/zinc/49/73/80/774497380.db2.gz YHBUBUUREYSINS-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO COc1cc2c(cc1NC(=O)[C@@H](C)N)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501544 774515710 /nfs/dbraw/zinc/51/57/10/774515710.db2.gz WKJQJUHWFBKSFB-GLEZIHRCSA-N 1 3 304.350 0.164 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219532592 774527058 /nfs/dbraw/zinc/52/70/58/774527058.db2.gz AULZTSYJRSWURH-MJVIPROJSA-N 1 3 313.361 0.366 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219532592 774527061 /nfs/dbraw/zinc/52/70/61/774527061.db2.gz AULZTSYJRSWURH-MJVIPROJSA-N 1 3 313.361 0.366 20 0 DCADHO Cn1c(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001219699114 774584300 /nfs/dbraw/zinc/58/43/00/774584300.db2.gz RQLPYFRWCQJTCT-LBPRGKRZSA-N 1 3 318.343 0.987 20 0 DCADHO N[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1Cl ZINC001219714816 774588271 /nfs/dbraw/zinc/58/82/71/774588271.db2.gz YWQHBVYJAXIADM-IJLUTSLNSA-N 1 3 318.204 0.832 20 0 DCADHO N[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C(F)(F)F)cc1 ZINC001219714016 774588614 /nfs/dbraw/zinc/58/86/14/774588614.db2.gz DIXCLVOWAQPMKJ-IJLUTSLNSA-N 1 3 317.311 0.544 20 0 DCADHO N[C@@H](CC(=O)N[C@@H]1COC[C@@H]1[NH3+])c1cccc(C(F)(F)F)c1 ZINC001219720917 774591642 /nfs/dbraw/zinc/59/16/42/774591642.db2.gz VLXRBVNFLHDGKU-SDDRHHMPSA-N 1 3 317.311 0.938 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219792117 774609343 /nfs/dbraw/zinc/60/93/43/774609343.db2.gz ZKMUGNPTESOMHJ-PWSUYJOCSA-N 1 3 300.353 0.696 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)c1ccc2c(c1)CC[NH2+]CC2 ZINC001219850544 774628047 /nfs/dbraw/zinc/62/80/47/774628047.db2.gz XNJDLEYXXJTIKW-YESZJQIVSA-N 1 3 315.417 0.624 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353676 774640796 /nfs/dbraw/zinc/64/07/96/774640796.db2.gz QKPLUGUPDLVSSU-GXTWGEPZSA-N 1 3 312.458 0.288 20 0 DCADHO O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219915810 774644544 /nfs/dbraw/zinc/64/45/44/774644544.db2.gz BNYQSBPLHRFUTB-LBPRGKRZSA-N 1 3 311.332 0.713 20 0 DCADHO CC1(C)CC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC(C)(C)N1O ZINC001220049969 774681230 /nfs/dbraw/zinc/68/12/30/774681230.db2.gz WEPGLWMKEDVDBY-GFCCVEGCSA-N 1 3 310.442 0.322 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220275205 774752838 /nfs/dbraw/zinc/75/28/38/774752838.db2.gz RPTYQGXKFVPJNF-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO O=C(NCc1cc(F)cc2c1OCOC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001220290845 774760102 /nfs/dbraw/zinc/76/01/02/774760102.db2.gz FXYJHEAMZLFXMJ-ZDUSSCGKSA-N 1 3 321.352 0.117 20 0 DCADHO O=C(NCc1ncn2c1CNCCC2)[C@H]1CCSC12C[NH2+]C2 ZINC001220311003 774765767 /nfs/dbraw/zinc/76/57/67/774765767.db2.gz JDKAKJQCOSIYPU-LLVKDONJSA-N 1 3 321.450 0.088 20 0 DCADHO COc1cc2c(cc1C)C[C@@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001220379511 774788750 /nfs/dbraw/zinc/78/87/50/774788750.db2.gz WJMZMUAQZINUNF-CABCVRRESA-N 1 3 315.417 0.396 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001220405540 774797696 /nfs/dbraw/zinc/79/76/96/774797696.db2.gz AOGPXDOZOAEPSW-MCIONIFRSA-N 1 3 313.442 0.940 20 0 DCADHO NC[C@@H]([NH3+])c1ccc(C(=O)NC2CCN(CCF)CC2)cc1 ZINC001220435854 774808201 /nfs/dbraw/zinc/80/82/01/774808201.db2.gz MLUSDZRPUZMQES-OAHLLOKOSA-N 1 3 308.401 0.809 20 0 DCADHO O=C(NC[C@@H](O)C1CCCCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220467493 774819355 /nfs/dbraw/zinc/81/93/55/774819355.db2.gz YGKINYBILICDGS-LSDHHAIUSA-N 1 3 309.454 0.918 20 0 DCADHO O=C(NC[C@@H](O)C1CCCCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220467493 774819365 /nfs/dbraw/zinc/81/93/65/774819365.db2.gz YGKINYBILICDGS-LSDHHAIUSA-N 1 3 309.454 0.918 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220517684 774832394 /nfs/dbraw/zinc/83/23/94/774832394.db2.gz VXHHZPHSTSXNCM-JKSUJKDBSA-N 1 3 304.438 0.877 20 0 DCADHO COC(=O)C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cccnc1 ZINC001220530443 774837537 /nfs/dbraw/zinc/83/75/37/774837537.db2.gz QMKGRCKZRQSSGE-DZGCQCFKSA-N 1 3 320.393 0.129 20 0 DCADHO COC(=O)C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])c1cccnc1 ZINC001220530692 774839891 /nfs/dbraw/zinc/83/98/91/774839891.db2.gz UVHIBUTVPSJGBQ-QWHCGFSZSA-N 1 3 308.382 0.258 20 0 DCADHO COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@H](N)CCC[NH3+] ZINC001220628177 774868594 /nfs/dbraw/zinc/86/85/94/774868594.db2.gz UCPVGYSSMRSTJQ-CZUORRHYSA-N 1 3 307.394 0.343 20 0 DCADHO CCOC(=O)C[C@H](NC(=O)[C@H](N)CCC[NH3+])c1cccc(O)c1 ZINC001220667492 774882506 /nfs/dbraw/zinc/88/25/06/774882506.db2.gz AGPWFCFBXCDKSB-KGLIPLIRSA-N 1 3 323.393 0.569 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1)N(C)C ZINC001202531741 774886062 /nfs/dbraw/zinc/88/60/62/774886062.db2.gz NCBPKNSAKOLBJF-OCCSQVGLSA-N 1 3 312.458 0.384 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NC[C@H]1CN(c2ccccc2)CCO1 ZINC001220736162 774905257 /nfs/dbraw/zinc/90/52/57/774905257.db2.gz CIFMBEYZTWFZSS-GJZGRUSLSA-N 1 3 306.410 0.074 20 0 DCADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788797 774915409 /nfs/dbraw/zinc/91/54/09/774915409.db2.gz GNUVPEFECVCTAQ-OFQRWUPVSA-N 1 3 304.394 0.227 20 0 DCADHO CN[C@@H](CO)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221033459 774983750 /nfs/dbraw/zinc/98/37/50/774983750.db2.gz FCQMQFZVSIWSHF-LSDHHAIUSA-N 1 3 309.385 0.563 20 0 DCADHO NC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC001221063011 774988136 /nfs/dbraw/zinc/98/81/36/774988136.db2.gz IFXKPIOHZXZBJM-INIZCTEOSA-N 1 3 316.449 0.848 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O)[NH+]1CCCC1 ZINC001221091252 774992798 /nfs/dbraw/zinc/99/27/98/774992798.db2.gz HPZOCRKXANHXCS-PMPSAXMXSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)n1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1=O ZINC001221152355 775009095 /nfs/dbraw/zinc/00/90/95/775009095.db2.gz VNACYZWTEBZOBE-MLGOLLRUSA-N 1 3 304.394 0.567 20 0 DCADHO COc1cccnc1C(C)(C)CNC(=O)[C@@H](N)CCCC[NH3+] ZINC001221168364 775013769 /nfs/dbraw/zinc/01/37/69/775013769.db2.gz JPRGMPQJVJYKFD-LBPRGKRZSA-N 1 3 308.426 0.940 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221308916 775064043 /nfs/dbraw/zinc/06/40/43/775064043.db2.gz AXCPXHVDALKUOM-KGLIPLIRSA-N 1 3 318.421 0.898 20 0 DCADHO O=C(NC1(Cc2ccc(O)cc2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221332097 775071337 /nfs/dbraw/zinc/07/13/37/775071337.db2.gz XOMCXYMNHKMXHI-RDTXWAMCSA-N 1 3 315.417 0.783 20 0 DCADHO O=C(N[C@H]1CCc2c1c(F)ccc2F)[C@@H]1C[NH2+]CC12CNC2 ZINC001221364590 775076594 /nfs/dbraw/zinc/07/65/94/775076594.db2.gz WQYVQABUMJYFKI-GWCFXTLKSA-N 1 3 307.344 0.877 20 0 DCADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001221356900 775076707 /nfs/dbraw/zinc/07/67/07/775076707.db2.gz DPIBXVRJUFRAEO-WBOJAVRRSA-N 1 3 324.469 0.071 20 0 DCADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H](N)Cc2cncn2C)c1 ZINC001221403636 775088112 /nfs/dbraw/zinc/08/81/12/775088112.db2.gz DAJBQQZBVBEBSZ-LSDHHAIUSA-N 1 3 317.393 0.115 20 0 DCADHO O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)c1ccc2c(n1)CCNC2 ZINC001221410327 775092674 /nfs/dbraw/zinc/09/26/74/775092674.db2.gz TWIWHAJIMMGZMR-INIZCTEOSA-N 1 3 300.406 0.845 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000420932862 775245885 /nfs/dbraw/zinc/24/58/85/775245885.db2.gz HTLDSVSOUYEYDS-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)(O)c1ccc(CN2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222100050 775272075 /nfs/dbraw/zinc/27/20/75/775272075.db2.gz RYWFMJDPESROEQ-UHFFFAOYSA-N 1 3 304.438 0.836 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1)C(N)=O ZINC001226830043 775883353 /nfs/dbraw/zinc/88/33/53/775883353.db2.gz AQLZRGNANLAZFH-RRFJBIMHSA-N 1 3 324.469 0.752 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831518 775883515 /nfs/dbraw/zinc/88/35/15/775883515.db2.gz RRQGOHAPGTWGDA-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCC3CCC3)C[C@H]21 ZINC001114778921 776117379 /nfs/dbraw/zinc/11/73/79/776117379.db2.gz UKMDDFSHWSURPO-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO CC[C@@H](C(=O)NC1CC[NH+](CCOCCOC)CC1)N(C)C ZINC001229233362 776171848 /nfs/dbraw/zinc/17/18/48/776171848.db2.gz IJCQWRQEVJUCPF-HNNXBMFYSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001229232122 776172439 /nfs/dbraw/zinc/17/24/39/776172439.db2.gz XZVJACFKGRBHQB-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cn1 ZINC001317625603 945124285 /nfs/dbraw/zinc/12/42/85/945124285.db2.gz GYFGJFKWCXBGAX-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cn1 ZINC001317625603 945124289 /nfs/dbraw/zinc/12/42/89/945124289.db2.gz GYFGJFKWCXBGAX-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266545497 939158994 /nfs/dbraw/zinc/15/89/94/939158994.db2.gz SSVGESFWOJNZPK-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)C23CCC[NH+](CCC2)C3)n[nH]1 ZINC001267390785 939446332 /nfs/dbraw/zinc/44/63/32/939446332.db2.gz VDPIHVFYPXFYOB-UHFFFAOYSA-N 1 3 320.441 0.537 20 0 DCADHO CN(CC(=O)N(C)CC[NH2+]CCc1cnn(C)c1)CC(C)(C)C ZINC001267428850 939454079 /nfs/dbraw/zinc/45/40/79/939454079.db2.gz FAVJGDAJRMFWKH-UHFFFAOYSA-N 1 3 323.485 0.989 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)NC(C)(C)C ZINC001420489698 939648320 /nfs/dbraw/zinc/64/83/20/939648320.db2.gz AEHIDGVTDIXLPW-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)NC(C)(C)C ZINC001420489698 939648322 /nfs/dbraw/zinc/64/83/22/939648322.db2.gz AEHIDGVTDIXLPW-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CCc1cnn(C)c1)N(C)C ZINC001481306338 939736445 /nfs/dbraw/zinc/73/64/45/939736445.db2.gz MNNULNYCKWVSKX-OAHLLOKOSA-N 1 3 309.458 0.597 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001481314759 939742876 /nfs/dbraw/zinc/74/28/76/939742876.db2.gz KVUQIUBVRXIBQQ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CC[NH2+]CCc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001268368950 940083654 /nfs/dbraw/zinc/08/36/54/940083654.db2.gz OBRNECRVKDNTLM-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001481812318 940148422 /nfs/dbraw/zinc/14/84/22/940148422.db2.gz KPQDGNXFRNZCLC-HOCLYGCPSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cn(C)nc1C ZINC001481872178 940168861 /nfs/dbraw/zinc/16/88/61/940168861.db2.gz SOAAQCYVDUFJAY-HNNXBMFYSA-N 1 3 319.453 0.809 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001481903306 940176620 /nfs/dbraw/zinc/17/66/20/940176620.db2.gz CMAGVWAPFMAGSJ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)CN1CC[C@H](C)C1 ZINC001268479461 940177486 /nfs/dbraw/zinc/17/74/86/940177486.db2.gz JDTZYEJJGZXKHY-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001268498848 940194960 /nfs/dbraw/zinc/19/49/60/940194960.db2.gz XKUHWFCVNJPYOI-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001482054350 940234799 /nfs/dbraw/zinc/23/47/99/940234799.db2.gz MTICKGYDQGKESO-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO O[C@H](CN[C@H]1CNCc2ccsc21)CC1(O)CC[NH2+]CC1 ZINC001245981272 945306080 /nfs/dbraw/zinc/30/60/80/945306080.db2.gz FWUICCMUSJEGHT-STQMWFEESA-N 1 3 311.451 0.348 20 0 DCADHO O[C@@H](CNC1CN(C2CC[NH2+]CC2)C1)COc1ccc(F)cc1 ZINC001245989684 945306892 /nfs/dbraw/zinc/30/68/92/945306892.db2.gz NHOATHLMMCKLPD-INIZCTEOSA-N 1 3 323.412 0.591 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)c1ccc(F)c(F)c1 ZINC001246018523 945316812 /nfs/dbraw/zinc/31/68/12/945316812.db2.gz GGOZQKRENIREHN-UONOGXRCSA-N 1 3 315.364 0.831 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001268798663 940365539 /nfs/dbraw/zinc/36/55/39/940365539.db2.gz MKXBTMGRYKYLGQ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001482267531 940840804 /nfs/dbraw/zinc/84/08/04/940840804.db2.gz UBAHQJSPJVMPSK-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO COc1cc(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001482364983 941022721 /nfs/dbraw/zinc/02/27/21/941022721.db2.gz RDXUAIJMLFZFQM-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001482364983 941022723 /nfs/dbraw/zinc/02/27/23/941022723.db2.gz RDXUAIJMLFZFQM-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001482443050 941223085 /nfs/dbraw/zinc/22/30/85/941223085.db2.gz AHIFWVROAMKQPK-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001482531500 941459647 /nfs/dbraw/zinc/45/96/47/941459647.db2.gz ALNXXUNYPUSADB-OCCSQVGLSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001482554227 941492778 /nfs/dbraw/zinc/49/27/78/941492778.db2.gz RMXZXZMOECOSHI-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1cncc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C)c1 ZINC001482799608 941675084 /nfs/dbraw/zinc/67/50/84/941675084.db2.gz QZHAYCAZLXXPFP-HNNXBMFYSA-N 1 3 308.426 0.297 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001482935473 941717029 /nfs/dbraw/zinc/71/70/29/941717029.db2.gz ZEOBMVKTLHPCRR-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001482943094 941719838 /nfs/dbraw/zinc/71/98/38/941719838.db2.gz XOJFKQHDAXPGMO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409372922 941969359 /nfs/dbraw/zinc/96/93/59/941969359.db2.gz LCAOAJJMSTXGDE-UONOGXRCSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001409376474 941971682 /nfs/dbraw/zinc/97/16/82/941971682.db2.gz ODHOTYOLYGVSKW-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409401516 941979796 /nfs/dbraw/zinc/97/97/96/941979796.db2.gz LKUBMASWKJUFOV-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409406577 941984533 /nfs/dbraw/zinc/98/45/33/941984533.db2.gz AJBONROORPXUOZ-OLZOCXBDSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)CCN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602355 942089285 /nfs/dbraw/zinc/08/92/85/942089285.db2.gz QOAUCNXTOPYLNF-CABCVRRESA-N 1 3 309.454 0.822 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001483485856 942381568 /nfs/dbraw/zinc/38/15/68/942381568.db2.gz MSABYMQQGVIYHD-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CCC1 ZINC001493210081 942429213 /nfs/dbraw/zinc/42/92/13/942429213.db2.gz GMLKKWQMRURWMF-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CCC1 ZINC001493210081 942429215 /nfs/dbraw/zinc/42/92/15/942429215.db2.gz GMLKKWQMRURWMF-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CS(=O)(=O)N(C1CCN(CC2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC001168389373 942539785 /nfs/dbraw/zinc/53/97/85/942539785.db2.gz MVISOHVFYOBPSC-HNNXBMFYSA-N 1 3 315.483 0.874 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@@H](C)C1 ZINC001483912914 943020691 /nfs/dbraw/zinc/02/06/91/943020691.db2.gz DOSDTSYLFHSEAV-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001483958026 943046289 /nfs/dbraw/zinc/04/62/89/943046289.db2.gz FKVDKRVFTICXMT-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001483971470 943055523 /nfs/dbraw/zinc/05/55/23/943055523.db2.gz SMVMPBSGKYMIBO-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO O=S1(=O)CC[C@@H]([NH2+]CC2CCN(C3CCOCC3)CC2)C1 ZINC001254325432 943088835 /nfs/dbraw/zinc/08/88/35/943088835.db2.gz VQDYESBIIVQPTC-CQSZACIVSA-N 1 3 316.467 0.654 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484146931 943164242 /nfs/dbraw/zinc/16/42/42/943164242.db2.gz JHAGJEVHYKNAGR-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484146931 943164248 /nfs/dbraw/zinc/16/42/48/943164248.db2.gz JHAGJEVHYKNAGR-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1 ZINC001484551148 943450413 /nfs/dbraw/zinc/45/04/13/943450413.db2.gz CIHZNLKRMPKHMS-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCO1 ZINC001484695760 943527511 /nfs/dbraw/zinc/52/75/11/943527511.db2.gz IGFDUUAUPWDUAI-KBPBESRZSA-N 1 3 301.431 0.036 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(C)(C)C ZINC001485207452 943757365 /nfs/dbraw/zinc/75/73/65/943757365.db2.gz MXOUAGNAAVSFEN-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(C)(C)C ZINC001485207452 943757368 /nfs/dbraw/zinc/75/73/68/943757368.db2.gz MXOUAGNAAVSFEN-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001491192099 943821129 /nfs/dbraw/zinc/82/11/29/943821129.db2.gz ZFUPGMCXTKHKLQ-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCCC1=O ZINC001491472577 944020228 /nfs/dbraw/zinc/02/02/28/944020228.db2.gz DAQZLTSBXWKWFV-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)N(C)C ZINC001491495560 944044542 /nfs/dbraw/zinc/04/45/42/944044542.db2.gz NTAVWHTWKRSZDN-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001485686144 944080331 /nfs/dbraw/zinc/08/03/31/944080331.db2.gz JIQYNZAJVVIPAT-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001491539050 944083053 /nfs/dbraw/zinc/08/30/53/944083053.db2.gz PKDBOJKRYPPTNH-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC001203010397 944142151 /nfs/dbraw/zinc/14/21/51/944142151.db2.gz LUSSALOEBDDWFL-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1c[nH]c(=O)c(CN2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c1 ZINC001276872580 944338555 /nfs/dbraw/zinc/33/85/55/944338555.db2.gz VCYOCUWAIPXSPN-CVEARBPZSA-N 1 3 320.437 0.542 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@H](C)C(=O)N(C)C ZINC001485894966 944389747 /nfs/dbraw/zinc/38/97/47/944389747.db2.gz IKQBBVITFRRKPQ-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001486117456 944575277 /nfs/dbraw/zinc/57/52/77/944575277.db2.gz ZTVSKKAWPIEFJC-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001316870086 944605823 /nfs/dbraw/zinc/60/58/23/944605823.db2.gz MBHNFZPCWRCDGY-UHFFFAOYSA-N 1 3 322.453 0.664 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001316870086 944605826 /nfs/dbraw/zinc/60/58/26/944605826.db2.gz MBHNFZPCWRCDGY-UHFFFAOYSA-N 1 3 322.453 0.664 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486233721 944685191 /nfs/dbraw/zinc/68/51/91/944685191.db2.gz CWXAAUUTNUZELV-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001486233721 944685196 /nfs/dbraw/zinc/68/51/96/944685196.db2.gz CWXAAUUTNUZELV-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317097121 944793603 /nfs/dbraw/zinc/79/36/03/944793603.db2.gz QDJGSXXNKUTEML-KBUPBQIOSA-N 1 3 313.442 0.105 20 0 DCADHO c1cn(CCN2CC3(C2)CC[NH+](C[C@H]2COCCO2)CC3)cn1 ZINC001277526315 944864678 /nfs/dbraw/zinc/86/46/78/944864678.db2.gz AXPHJIKNXGCUND-INIZCTEOSA-N 1 3 320.437 0.696 20 0 DCADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CNC[C@@H]2CO)CC1 ZINC001246310596 945379791 /nfs/dbraw/zinc/37/97/91/945379791.db2.gz UKNAORJFTTYLGS-IXDOHACOSA-N 1 3 317.433 0.851 20 0 DCADHO COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3CSCCN3)C[C@H](C1)N2 ZINC001246333832 945387051 /nfs/dbraw/zinc/38/70/51/945387051.db2.gz ARXYMAWGSOYDTA-LFGDDXOXSA-N 1 3 313.467 0.353 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)CN1CCCC1 ZINC001486915134 945393269 /nfs/dbraw/zinc/39/32/69/945393269.db2.gz QLKVFIQEOMDVLM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO FC(F)(F)Cn1cnc(CN[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246435666 945410567 /nfs/dbraw/zinc/41/05/67/945410567.db2.gz GWCPOFGLTUHLGT-JTQLQIEISA-N 1 3 303.332 0.629 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486947606 945425570 /nfs/dbraw/zinc/42/55/70/945425570.db2.gz FRUQGJXFVATFGL-WCQYABFASA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486947606 945425579 /nfs/dbraw/zinc/42/55/79/945425579.db2.gz FRUQGJXFVATFGL-WCQYABFASA-N 1 3 321.425 0.175 20 0 DCADHO NC[C@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@@H]1O ZINC001246585129 945435362 /nfs/dbraw/zinc/43/53/62/945435362.db2.gz OKIGPIGGPLVMME-XHSDSOJGSA-N 1 3 303.406 0.429 20 0 DCADHO NC[C@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@@H]1O ZINC001246585129 945435389 /nfs/dbraw/zinc/43/53/89/945435389.db2.gz OKIGPIGGPLVMME-XHSDSOJGSA-N 1 3 303.406 0.429 20 0 DCADHO CCOC(=O)[C@H]1CNCCN1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246600318 945441370 /nfs/dbraw/zinc/44/13/70/945441370.db2.gz GBCDKVJKLLHWKI-NPCAHTBFSA-N 1 3 311.426 0.125 20 0 DCADHO c1nnn([C@@H]2CCC[C@@H](N3CCN[C@H]4CC[NH2+]CC[C@@H]43)C2)n1 ZINC001246619477 945444468 /nfs/dbraw/zinc/44/44/68/945444468.db2.gz RTAYVGNXWOWPNH-KBXIAJHMSA-N 1 3 305.430 0.183 20 0 DCADHO c1nnn([C@H]2CCC[C@@H](N3CCN[C@H]4CC[NH2+]CC[C@@H]43)C2)n1 ZINC001246619478 945444988 /nfs/dbraw/zinc/44/49/88/945444988.db2.gz RTAYVGNXWOWPNH-QPSCCSFWSA-N 1 3 305.430 0.183 20 0 DCADHO O=C(NC[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCCNC1)C2)N1CCCC1 ZINC001246719924 945473100 /nfs/dbraw/zinc/47/31/00/945473100.db2.gz LGBRJGKNFHIELB-INMHGKMJSA-N 1 3 322.453 0.492 20 0 DCADHO O=C(NC[C@]12COC[C@H]1C[N@H+]([C@@H]1CCCNC1)C2)N1CCCC1 ZINC001246719924 945473101 /nfs/dbraw/zinc/47/31/01/945473101.db2.gz LGBRJGKNFHIELB-INMHGKMJSA-N 1 3 322.453 0.492 20 0 DCADHO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@@H+]([C@H]3CCN[C@@H](C)C3)C[C@H]21 ZINC001246733036 945475830 /nfs/dbraw/zinc/47/58/30/945475830.db2.gz DGOLDTYXFQNLNF-NPJQDHAYSA-N 1 3 309.454 0.846 20 0 DCADHO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+]([C@H]3CCN[C@@H](C)C3)C[C@H]21 ZINC001246733036 945475834 /nfs/dbraw/zinc/47/58/34/945475834.db2.gz DGOLDTYXFQNLNF-NPJQDHAYSA-N 1 3 309.454 0.846 20 0 DCADHO c1nc(CNC2CCOCC2)c2n1CCCN([C@@H]1CC[NH2+]C1)C2 ZINC001246773500 945485603 /nfs/dbraw/zinc/48/56/03/945485603.db2.gz LBZLRUGQCDCKEO-OAHLLOKOSA-N 1 3 319.453 0.719 20 0 DCADHO C[C@@H]1C[C@@H](N2CCC(C(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC001246807901 945492931 /nfs/dbraw/zinc/49/29/31/945492931.db2.gz UZIWTLSQMSCFSK-ZBFHGGJFSA-N 1 3 308.470 0.613 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CN1 ZINC001246970514 945528508 /nfs/dbraw/zinc/52/85/08/945528508.db2.gz ZZKHITMHBMQIMB-KBMXLJTQSA-N 1 3 324.469 0.168 20 0 DCADHO c1cc(-c2noc(CN[C@H]3CC[NH2+]C3)n2)nc2c1CNCC2 ZINC001247696986 945567967 /nfs/dbraw/zinc/56/79/67/945567967.db2.gz BGUISLKNXDBFGA-NSHDSACASA-N 1 3 300.366 0.229 20 0 DCADHO c1cc(-c2noc(CN3CC[NH2+]CC3)n2)nc2c1CNCC2 ZINC001248217367 945596735 /nfs/dbraw/zinc/59/67/35/945596735.db2.gz MDKKBBXKQCZZRR-UHFFFAOYSA-N 1 3 300.366 0.183 20 0 DCADHO C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CC[C@H]1N1CCN(C)CC1 ZINC001319855940 945681384 /nfs/dbraw/zinc/68/13/84/945681384.db2.gz LRYUBEQVKIBZLJ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@H]1N1CCN(C)CC1 ZINC001319855940 945681390 /nfs/dbraw/zinc/68/13/90/945681390.db2.gz LRYUBEQVKIBZLJ-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCn1cncn1 ZINC001273202507 945785563 /nfs/dbraw/zinc/78/55/63/945785563.db2.gz GNJCOHHPJSFHPD-CABCVRRESA-N 1 3 322.457 0.637 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNCc1nccn1C)[NH+](C)C ZINC001320453571 945884429 /nfs/dbraw/zinc/88/44/29/945884429.db2.gz HTJOYHKHFKWHOH-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO COC(=O)[C@@H](O)C[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001252443705 945932690 /nfs/dbraw/zinc/93/26/90/945932690.db2.gz HBTSQSPXZZZOAQ-HNNXBMFYSA-N 1 3 307.394 0.417 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)O)C[C@]2(C)C1 ZINC001410190256 946008677 /nfs/dbraw/zinc/00/86/77/946008677.db2.gz VPFPDBVIMVTUDP-OIISXLGYSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)O)C[C@]2(C)C1 ZINC001410190256 946008685 /nfs/dbraw/zinc/00/86/85/946008685.db2.gz VPFPDBVIMVTUDP-OIISXLGYSA-N 1 3 311.470 0.878 20 0 DCADHO CCOC(=O)CN1CCC(NC[C@H](O)C[NH+](CC)CC)CC1 ZINC001253213114 946096332 /nfs/dbraw/zinc/09/63/32/946096332.db2.gz LFJIACKZXLIDRY-HNNXBMFYSA-N 1 3 315.458 0.306 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001410269920 946120496 /nfs/dbraw/zinc/12/04/96/946120496.db2.gz SOPDSFBZVSPEFQ-NWDGAFQWSA-N 1 3 309.414 0.255 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001321417985 946323555 /nfs/dbraw/zinc/32/35/55/946323555.db2.gz WWCIOXYLLBQXLX-WSNITJDQSA-N 1 3 310.442 0.259 20 0 DCADHO CN(C)CCCN(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001254337208 946364382 /nfs/dbraw/zinc/36/43/82/946364382.db2.gz OAFMXOUEEKEPSF-AWEZNQCLSA-N 1 3 305.488 0.379 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)n1 ZINC001321653242 946415290 /nfs/dbraw/zinc/41/52/90/946415290.db2.gz YNMWGVMNURWZPK-QWHCGFSZSA-N 1 3 323.441 0.747 20 0 DCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC[C@H](O)C[NH3+])CCO2 ZINC001254798266 946432154 /nfs/dbraw/zinc/43/21/54/946432154.db2.gz GSOVYYHSXJABBU-NWDGAFQWSA-N 1 3 315.414 0.064 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)N1CCCCC1 ZINC001321851497 946486240 /nfs/dbraw/zinc/48/62/40/946486240.db2.gz YKHSVNQYVHDAHM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)[C@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255586247 946532942 /nfs/dbraw/zinc/53/29/42/946532942.db2.gz BXHFGVIOBNQQTD-MNOVXSKESA-N 1 3 301.387 0.333 20 0 DCADHO NC[C@@]1([NH2+]C2CCC(N3CCOCC3)CC2)CN2CCC1CC2 ZINC001256683508 946653213 /nfs/dbraw/zinc/65/32/13/946653213.db2.gz DLXFABSOZHIRNR-DAWZGUTISA-N 1 3 322.497 0.643 20 0 DCADHO C1OCC1N1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256680090 946653586 /nfs/dbraw/zinc/65/35/86/946653586.db2.gz XCUCIHFVXUJXLX-PCKAHOCUSA-N 1 3 309.454 0.693 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001322651727 946758115 /nfs/dbraw/zinc/75/81/15/946758115.db2.gz OKMSEBXMTGKTAR-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)NCc1ccc2cc[nH]c2c1 ZINC001410719986 946832801 /nfs/dbraw/zinc/83/28/01/946832801.db2.gz ASYCBNJRLKZEAI-OAHLLOKOSA-N 1 3 318.421 0.686 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NC(C)(C)C)CCN1C(=O)CC[NH+](C)C ZINC001410848082 947023279 /nfs/dbraw/zinc/02/32/79/947023279.db2.gz JCTMXSLZKHMBHT-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@H]1C ZINC001410865095 947054666 /nfs/dbraw/zinc/05/46/66/947054666.db2.gz ULJWZJCBRDIOAS-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867962 947057333 /nfs/dbraw/zinc/05/73/33/947057333.db2.gz QACNFNMQRJYSLG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001410952313 947160408 /nfs/dbraw/zinc/16/04/08/947160408.db2.gz IVCPDJQLLCCTCD-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001410963650 947167456 /nfs/dbraw/zinc/16/74/56/947167456.db2.gz CTMXGIOZKHTHHF-CHWSQXEVSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001410998337 947215078 /nfs/dbraw/zinc/21/50/78/947215078.db2.gz AVCSYAUWYQPZQO-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001324259941 947370569 /nfs/dbraw/zinc/37/05/69/947370569.db2.gz CUEHKJFXWJESOY-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C(C)(C)C ZINC001411220874 947505467 /nfs/dbraw/zinc/50/54/67/947505467.db2.gz VRRNKTCIVGMZOZ-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001415264057 947542887 /nfs/dbraw/zinc/54/28/87/947542887.db2.gz WBJPOGSJJXVHSN-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337183 947662542 /nfs/dbraw/zinc/66/25/42/947662542.db2.gz VRHXIDRXOBEDEK-GFCCVEGCSA-N 1 3 306.410 0.202 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001179481107 947849243 /nfs/dbraw/zinc/84/92/43/947849243.db2.gz AZOBHKCHCHVESI-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546284 947867191 /nfs/dbraw/zinc/86/71/91/947867191.db2.gz JLYOORUDRAJWBB-RDBSUJKOSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)C12CC[NH+](CC1)C2 ZINC001273710482 948039369 /nfs/dbraw/zinc/03/93/69/948039369.db2.gz WIOGANAYNZFOLP-UHFFFAOYSA-N 1 3 306.414 0.147 20 0 DCADHO CCOCC[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001326597805 948210326 /nfs/dbraw/zinc/21/03/26/948210326.db2.gz BAJQRVFOSLQTKW-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC001326847850 948301103 /nfs/dbraw/zinc/30/11/03/948301103.db2.gz VEVAYVPFFAGPEM-WGRBQBNCSA-N 1 3 316.405 0.685 20 0 DCADHO CNC(=O)C(C)(C)N1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273839467 948465759 /nfs/dbraw/zinc/46/57/59/948465759.db2.gz OWJOHFPRNXEVED-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1=CC[N@H+](C)CC1 ZINC001327472304 948522363 /nfs/dbraw/zinc/52/23/63/948522363.db2.gz OREAYCREZBFCKY-SNVBAGLBSA-N 1 3 320.397 0.091 20 0 DCADHO C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1=CC[N@@H+](C)CC1 ZINC001327472304 948522369 /nfs/dbraw/zinc/52/23/69/948522369.db2.gz OREAYCREZBFCKY-SNVBAGLBSA-N 1 3 320.397 0.091 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCF)C1)N(C)C ZINC001273928768 948686203 /nfs/dbraw/zinc/68/62/03/948686203.db2.gz DSUKWEKBGQZHQB-GOEBONIOSA-N 1 3 317.449 0.875 20 0 DCADHO C[C@@H](CN1CCOCC1)C[N@@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC001364381523 949152840 /nfs/dbraw/zinc/15/28/40/949152840.db2.gz LRRQVGYJYUBEJZ-JKSUJKDBSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H](CN1CCOCC1)C[N@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC001364381523 949152848 /nfs/dbraw/zinc/15/28/48/949152848.db2.gz LRRQVGYJYUBEJZ-JKSUJKDBSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001488880649 949344354 /nfs/dbraw/zinc/34/43/54/949344354.db2.gz TWHFCPJCEPDPOL-HDJSIYSDSA-N 1 3 307.442 0.745 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCO)[C@@H]2C1(C)C ZINC001489083434 949480740 /nfs/dbraw/zinc/48/07/40/949480740.db2.gz ALBNRGKYPSPEPT-IMJJTQAJSA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCO)[C@@H]2C1(C)C ZINC001489083434 949480755 /nfs/dbraw/zinc/48/07/55/949480755.db2.gz ALBNRGKYPSPEPT-IMJJTQAJSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001489089533 949517291 /nfs/dbraw/zinc/51/72/91/949517291.db2.gz SJQJLYMRCUSEKN-JONQDZQNSA-N 1 3 309.454 0.488 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001489089533 949517304 /nfs/dbraw/zinc/51/73/04/949517304.db2.gz SJQJLYMRCUSEKN-JONQDZQNSA-N 1 3 309.454 0.488 20 0 DCADHO CC[NH+]1CCC(CN2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001364687066 949757066 /nfs/dbraw/zinc/75/70/66/949757066.db2.gz FITVDQXAYJBGEO-UHFFFAOYSA-N 1 3 303.472 0.686 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)CCC[NH+](C)C ZINC001489779329 950095895 /nfs/dbraw/zinc/09/58/95/950095895.db2.gz OZQYOSKEIYJXMQ-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCN(C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001490209002 950331457 /nfs/dbraw/zinc/33/14/57/950331457.db2.gz CLOHPPBZXAFZMI-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]1CCNC1=O ZINC001266080508 950337594 /nfs/dbraw/zinc/33/75/94/950337594.db2.gz KZAHKELDXYGVOV-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702637006 950338390 /nfs/dbraw/zinc/33/83/90/950338390.db2.gz RJLCUAVRNRRCFL-KRWDZBQOSA-N 1 3 305.422 0.738 20 0 DCADHO CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001266203291 950467257 /nfs/dbraw/zinc/46/72/57/950467257.db2.gz AXDSIGHIXBNEDL-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001266203291 950467268 /nfs/dbraw/zinc/46/72/68/950467268.db2.gz AXDSIGHIXBNEDL-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H](C)C(=O)NC1CC1 ZINC001490318821 950566595 /nfs/dbraw/zinc/56/65/95/950566595.db2.gz RZKIUQFCVTYEAF-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H](C)C(=O)NC1CC1 ZINC001490318821 950566612 /nfs/dbraw/zinc/56/66/12/950566612.db2.gz RZKIUQFCVTYEAF-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001490669512 950974955 /nfs/dbraw/zinc/97/49/55/950974955.db2.gz YBFZMJKJPKDMCT-STQMWFEESA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CCCF)C1)N(C)C ZINC001280627065 950999282 /nfs/dbraw/zinc/99/92/82/950999282.db2.gz CCOMXLHPEFMYIU-ZIAGYGMSSA-N 1 3 303.422 0.749 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2cncn2C)C2CC2)C1 ZINC001490711716 951025905 /nfs/dbraw/zinc/02/59/05/951025905.db2.gz ZZVIILGQXJCIFL-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001365855896 951620497 /nfs/dbraw/zinc/62/04/97/951620497.db2.gz PWHJNIOLMQZAEV-ZQDZILKHSA-N 1 3 322.453 0.091 20 0 DCADHO CN(CCC[NH2+]CCCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001275914943 952521367 /nfs/dbraw/zinc/52/13/67/952521367.db2.gz HXAITNVQYIGSOG-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)CN(C)C2CC2)C[C@@H](C)O1 ZINC001336764490 952761495 /nfs/dbraw/zinc/76/14/95/952761495.db2.gz YKZNEBGDYMZYMT-INMHGKMJSA-N 1 3 313.486 0.921 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001412721301 953019868 /nfs/dbraw/zinc/01/98/68/953019868.db2.gz FYVVLHFEGGFTAD-LBPRGKRZSA-N 1 3 309.414 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001412721301 953019871 /nfs/dbraw/zinc/01/98/71/953019871.db2.gz FYVVLHFEGGFTAD-LBPRGKRZSA-N 1 3 309.414 0.257 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001490852254 953124071 /nfs/dbraw/zinc/12/40/71/953124071.db2.gz UDDNMCJPXACDBV-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCCCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001340041968 953140048 /nfs/dbraw/zinc/14/00/48/953140048.db2.gz QQWGEMFNUULHOG-CQSZACIVSA-N 1 3 318.421 0.970 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340179279 953152676 /nfs/dbraw/zinc/15/26/76/953152676.db2.gz GLJZKFWEFLMKRG-CQSZACIVSA-N 1 3 312.458 0.230 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1CC1 ZINC001366068793 953644153 /nfs/dbraw/zinc/64/41/53/953644153.db2.gz YONLVAMLLNYVEN-OCCSQVGLSA-N 1 3 312.458 0.288 20 0 DCADHO CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001366089662 953669842 /nfs/dbraw/zinc/66/98/42/953669842.db2.gz JPRYVRVCVBODSD-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001366096722 953680918 /nfs/dbraw/zinc/68/09/18/953680918.db2.gz YLMSKKJGZVUGOW-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366098145 953683408 /nfs/dbraw/zinc/68/34/08/953683408.db2.gz LTGPVANSAIYBMM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001366170094 953772871 /nfs/dbraw/zinc/77/28/71/953772871.db2.gz NDACHDPVTMRJJW-QLFBSQMISA-N 1 3 307.442 0.743 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cnn(C)c1 ZINC001366290423 953968206 /nfs/dbraw/zinc/96/82/06/953968206.db2.gz UCTPVFJXWOZEFE-ZDUSSCGKSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cncn1C ZINC001366298600 953980221 /nfs/dbraw/zinc/98/02/21/953980221.db2.gz YJSPUZUMOAKTOQ-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cncn1C ZINC001366298600 953980231 /nfs/dbraw/zinc/98/02/31/953980231.db2.gz YJSPUZUMOAKTOQ-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001283131898 954042223 /nfs/dbraw/zinc/04/22/23/954042223.db2.gz GHHXTSDNYXVSCX-STQMWFEESA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001366441017 954199265 /nfs/dbraw/zinc/19/92/65/954199265.db2.gz UZDHRCWPQIVLOK-HUUCEWRRSA-N 1 3 322.457 0.635 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cnn(C)c1)N(C)C ZINC001366514074 954305556 /nfs/dbraw/zinc/30/55/56/954305556.db2.gz WXIICZQKSKQDTO-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCn1cncn1 ZINC001366515369 954309629 /nfs/dbraw/zinc/30/96/29/954309629.db2.gz XTDZQEFDZYAQFX-CABCVRRESA-N 1 3 322.457 0.637 20 0 DCADHO COC[C@@H](O)CN(C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001366531755 954360416 /nfs/dbraw/zinc/36/04/16/954360416.db2.gz ZXDOVKHUKOVXNM-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO C/C(=C/C(=O)N[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCCN(C)C1 ZINC001348794079 954468537 /nfs/dbraw/zinc/46/85/37/954468537.db2.gz REGGDECOWJWBGI-GHRAKNKNSA-N 1 3 322.453 0.354 20 0 DCADHO C/C(=C/C(=O)N[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCCN(C)C1 ZINC001348794079 954468544 /nfs/dbraw/zinc/46/85/44/954468544.db2.gz REGGDECOWJWBGI-GHRAKNKNSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001366701707 954679246 /nfs/dbraw/zinc/67/92/46/954679246.db2.gz UYKMTWQKUGKIMI-LSDHHAIUSA-N 1 3 320.441 0.058 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001366701707 954679253 /nfs/dbraw/zinc/67/92/53/954679253.db2.gz UYKMTWQKUGKIMI-LSDHHAIUSA-N 1 3 320.441 0.058 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283928489 954721375 /nfs/dbraw/zinc/72/13/75/954721375.db2.gz SBXQFGZPSLZOMB-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001366729568 954728711 /nfs/dbraw/zinc/72/87/11/954728711.db2.gz QPJULWPBHHOASP-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001366729568 954728720 /nfs/dbraw/zinc/72/87/20/954728720.db2.gz QPJULWPBHHOASP-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CCCO)CC2)C1 ZINC001366879611 954981536 /nfs/dbraw/zinc/98/15/36/954981536.db2.gz FRVFNGTVSHRTCQ-HNNXBMFYSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CCCO)CC2)C1 ZINC001366879611 954981544 /nfs/dbraw/zinc/98/15/44/954981544.db2.gz FRVFNGTVSHRTCQ-HNNXBMFYSA-N 1 3 311.470 0.881 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CCCC[NH+](C)C)C1)N(C)C ZINC001284919011 955312239 /nfs/dbraw/zinc/31/22/39/955312239.db2.gz ILRMCGCYMCIQMA-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001367128095 955363915 /nfs/dbraw/zinc/36/39/15/955363915.db2.gz QLIIUDZGVGGYBU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001351666644 955375138 /nfs/dbraw/zinc/37/51/38/955375138.db2.gz MXEUNNACBZEHRL-HNNXBMFYSA-N 1 3 311.474 0.360 20 0 DCADHO CN1CCN(C)CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001351666644 955375151 /nfs/dbraw/zinc/37/51/51/955375151.db2.gz MXEUNNACBZEHRL-HNNXBMFYSA-N 1 3 311.474 0.360 20 0 DCADHO CN(C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367225465 955483146 /nfs/dbraw/zinc/48/31/46/955483146.db2.gz DJAUXAFRBBTQLY-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367225465 955483152 /nfs/dbraw/zinc/48/31/52/955483152.db2.gz DJAUXAFRBBTQLY-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001367226686 955484820 /nfs/dbraw/zinc/48/48/20/955484820.db2.gz ARICMRGWIZUEJF-GDBMZVCRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H]([NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1)C(N)=O ZINC001367317783 955639565 /nfs/dbraw/zinc/63/95/65/955639565.db2.gz LJTSGKUROZNUIB-AWEZNQCLSA-N 1 3 324.469 0.753 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001367326744 955647513 /nfs/dbraw/zinc/64/75/13/955647513.db2.gz OWUINEDKSLMIQL-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001367326744 955647515 /nfs/dbraw/zinc/64/75/15/955647515.db2.gz OWUINEDKSLMIQL-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCC1)C(N)=O ZINC001367332569 955655831 /nfs/dbraw/zinc/65/58/31/955655831.db2.gz XZTIYPSZDDBDQT-CYBMUJFWSA-N 1 3 324.469 0.753 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001285575004 955807788 /nfs/dbraw/zinc/80/77/88/955807788.db2.gz MRYPZBGPMNAVIF-IDTUSYRASA-N 1 3 324.469 0.601 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC001353279285 956001391 /nfs/dbraw/zinc/00/13/91/956001391.db2.gz VGTCXKIAOHSFMR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC001356454356 956870672 /nfs/dbraw/zinc/87/06/72/956870672.db2.gz JHROONSRJNIDAO-KBPBESRZSA-N 1 3 324.469 0.468 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001292779248 957148139 /nfs/dbraw/zinc/14/81/39/957148139.db2.gz SAOAKBUBKRLHDR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001292812961 957159964 /nfs/dbraw/zinc/15/99/64/957159964.db2.gz MJGQLLIYTFTXKB-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001292812961 957159970 /nfs/dbraw/zinc/15/99/70/957159970.db2.gz MJGQLLIYTFTXKB-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001367358149 957715328 /nfs/dbraw/zinc/71/53/28/957715328.db2.gz OVJYMJZCYWTZNN-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001367358149 957715337 /nfs/dbraw/zinc/71/53/37/957715337.db2.gz OVJYMJZCYWTZNN-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001367367006 957727472 /nfs/dbraw/zinc/72/74/72/957727472.db2.gz VRCSEGGJJXKTCZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001367370082 957730841 /nfs/dbraw/zinc/73/08/41/957730841.db2.gz NNTDHINCCSHWID-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001367370082 957730849 /nfs/dbraw/zinc/73/08/49/957730849.db2.gz NNTDHINCCSHWID-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001367448753 957820974 /nfs/dbraw/zinc/82/09/74/957820974.db2.gz OGRNSWOCHAFYCH-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001367579765 958102593 /nfs/dbraw/zinc/10/25/93/958102593.db2.gz JTRJTLZNZDOSMG-ZIAGYGMSSA-N 1 3 315.458 0.353 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCc2cncs2)CC1 ZINC001367600954 958154877 /nfs/dbraw/zinc/15/48/77/958154877.db2.gz MATZSGSYIZUMPD-LLVKDONJSA-N 1 3 312.439 0.052 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)c1cc(F)ccc1F ZINC001367673902 958329962 /nfs/dbraw/zinc/32/99/62/958329962.db2.gz BAOBWMZBSQBDBV-RNCFNFMXSA-N 1 3 311.332 0.903 20 0 DCADHO CC[C@H](C[NH2+]C[C@@H](C)NC(=O)c1cnc2n1CCOC2)OC ZINC001367674436 958332124 /nfs/dbraw/zinc/33/21/24/958332124.db2.gz HAFYARKDVWZXSM-VXGBXAGGSA-N 1 3 310.398 0.546 20 0 DCADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)cn1 ZINC001361832655 958383996 /nfs/dbraw/zinc/38/39/96/958383996.db2.gz JEWCUOOMFJNPMT-OAHLLOKOSA-N 1 3 305.426 0.119 20 0 DCADHO CN1CCN(C)[C@H](CNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC001361832655 958384010 /nfs/dbraw/zinc/38/40/10/958384010.db2.gz JEWCUOOMFJNPMT-OAHLLOKOSA-N 1 3 305.426 0.119 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001367713544 958425524 /nfs/dbraw/zinc/42/55/24/958425524.db2.gz CEYHRKLIVUQJRY-IUODEOHRSA-N 1 3 320.437 0.720 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)CC)CC[N@@H+]1C ZINC001367730952 958459247 /nfs/dbraw/zinc/45/92/47/958459247.db2.gz HVPIWECITVCPJI-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)CC)CC[N@H+]1C ZINC001367730952 958459257 /nfs/dbraw/zinc/45/92/57/958459257.db2.gz HVPIWECITVCPJI-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1=O)N(C)C ZINC001367756991 958512418 /nfs/dbraw/zinc/51/24/18/958512418.db2.gz GHAHDRLONJMLRF-MJBXVCDLSA-N 1 3 312.458 0.430 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367766556 958532439 /nfs/dbraw/zinc/53/24/39/958532439.db2.gz SACALDKGHMCVBM-WFASDCNBSA-N 1 3 309.458 0.909 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001367774014 958547827 /nfs/dbraw/zinc/54/78/27/958547827.db2.gz GDWVJGWXFGNZAE-UONOGXRCSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NCC1CCC1 ZINC001491569969 958924507 /nfs/dbraw/zinc/92/45/07/958924507.db2.gz WQSOWXSENOQQCN-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCN(C2CCC2)C1=O ZINC001491632263 958976888 /nfs/dbraw/zinc/97/68/88/958976888.db2.gz RMPJOVXNRIIHAR-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCN(C2CCC2)C1=O ZINC001491632263 958976900 /nfs/dbraw/zinc/97/69/00/958976900.db2.gz RMPJOVXNRIIHAR-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC001491633229 958980731 /nfs/dbraw/zinc/98/07/31/958980731.db2.gz WVCGLAOJKFOWPI-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC001491633229 958980738 /nfs/dbraw/zinc/98/07/38/958980738.db2.gz WVCGLAOJKFOWPI-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC001491646007 959006321 /nfs/dbraw/zinc/00/63/21/959006321.db2.gz NMYRBADIGNMOMG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC001491646007 959006340 /nfs/dbraw/zinc/00/63/40/959006340.db2.gz NMYRBADIGNMOMG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CC(=O)NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC001491735167 959163065 /nfs/dbraw/zinc/16/30/65/959163065.db2.gz KQZPEIHAEQVONK-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001491735167 959163071 /nfs/dbraw/zinc/16/30/71/959163071.db2.gz KQZPEIHAEQVONK-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001376989273 959266540 /nfs/dbraw/zinc/26/65/40/959266540.db2.gz WZNZLMYRAPINAB-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCC[C@H](N2CCC(C)(NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001368119987 959279572 /nfs/dbraw/zinc/27/95/72/959279572.db2.gz KTZVCCHJYQMZIQ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001491835637 959285895 /nfs/dbraw/zinc/28/58/95/959285895.db2.gz RNLPPVIAMZRTOB-KBUPBQIOSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001491835637 959285911 /nfs/dbraw/zinc/28/59/11/959285911.db2.gz RNLPPVIAMZRTOB-KBUPBQIOSA-N 1 3 324.469 0.384 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491843864 959297458 /nfs/dbraw/zinc/29/74/58/959297458.db2.gz NSYBIHFVHUZBPX-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001368152056 959327408 /nfs/dbraw/zinc/32/74/08/959327408.db2.gz BQRZBJKPPBYSDF-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001368161971 959370616 /nfs/dbraw/zinc/37/06/16/959370616.db2.gz HHGWUZGTVLJWJT-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001377177028 959630447 /nfs/dbraw/zinc/63/04/47/959630447.db2.gz HYAIBTHWPFGZHT-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001368356302 959722209 /nfs/dbraw/zinc/72/22/09/959722209.db2.gz UWIIGSZJUAJBIE-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001377264884 959820328 /nfs/dbraw/zinc/82/03/28/959820328.db2.gz ANTUOYAWTDMPQV-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC001362694544 959844349 /nfs/dbraw/zinc/84/43/49/959844349.db2.gz LOTXKJNHACIABI-AVOUXACISA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC001362694544 959844359 /nfs/dbraw/zinc/84/43/59/959844359.db2.gz LOTXKJNHACIABI-AVOUXACISA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001368426772 959844797 /nfs/dbraw/zinc/84/47/97/959844797.db2.gz XMVMZQJAJYVHSK-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001368485244 959929225 /nfs/dbraw/zinc/92/92/25/959929225.db2.gz LUZIHJOUAPPUNE-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001368485244 959929233 /nfs/dbraw/zinc/92/92/33/959929233.db2.gz LUZIHJOUAPPUNE-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001377329141 959929935 /nfs/dbraw/zinc/92/99/35/959929935.db2.gz UKURNHVCBVIQSK-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001377329141 959929940 /nfs/dbraw/zinc/92/99/40/959929940.db2.gz UKURNHVCBVIQSK-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)CCC1 ZINC001368573308 960046906 /nfs/dbraw/zinc/04/69/06/960046906.db2.gz KTOFEZLZBPGKIJ-SHTZXODSSA-N 1 3 319.453 0.852 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)CN2CCCC2)CC1 ZINC001368608783 960084444 /nfs/dbraw/zinc/08/44/44/960084444.db2.gz RYLZNQQTFMXIEM-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1nccn1C ZINC001377431892 960089196 /nfs/dbraw/zinc/08/91/96/960089196.db2.gz JMFOKASTHHRHCU-DZGCQCFKSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](O)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001368779754 960257877 /nfs/dbraw/zinc/25/78/77/960257877.db2.gz LQLQFFPNKPWIOM-SRCQZFHVSA-N 1 3 305.422 0.691 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001377580598 960314190 /nfs/dbraw/zinc/31/41/90/960314190.db2.gz MNLFSRGYAAZSAU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001377580598 960314200 /nfs/dbraw/zinc/31/42/00/960314200.db2.gz MNLFSRGYAAZSAU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001377593076 960332765 /nfs/dbraw/zinc/33/27/65/960332765.db2.gz XJQSYOAIEYVQKX-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001377593076 960332775 /nfs/dbraw/zinc/33/27/75/960332775.db2.gz XJQSYOAIEYVQKX-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CCCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317064560 960340884 /nfs/dbraw/zinc/34/08/84/960340884.db2.gz GPLNJYORAAJSLN-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377602099 960345981 /nfs/dbraw/zinc/34/59/81/960345981.db2.gz BKBGMZNCHOBRMB-DOMZBBRYSA-N 1 3 324.425 0.176 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001377616023 960356447 /nfs/dbraw/zinc/35/64/47/960356447.db2.gz NTPZDSFKHFPOBY-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001377700616 960459854 /nfs/dbraw/zinc/45/98/54/960459854.db2.gz OVEUEDDQECJYIV-MJBXVCDLSA-N 1 3 314.474 0.534 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001378298750 960531405 /nfs/dbraw/zinc/53/14/05/960531405.db2.gz KOYPBFPMXRTQCR-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cncn1C ZINC001378302324 960533971 /nfs/dbraw/zinc/53/39/71/960533971.db2.gz LOMDGOCSFKFXQP-AWEZNQCLSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001377795457 960678849 /nfs/dbraw/zinc/67/88/49/960678849.db2.gz IRSYAMSTKRKKRS-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001377795457 960678854 /nfs/dbraw/zinc/67/88/54/960678854.db2.gz IRSYAMSTKRKKRS-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1(CNCC(=O)NC)CCCCC1 ZINC001378423690 960737544 /nfs/dbraw/zinc/73/75/44/960737544.db2.gz ZPGFXTPHMCBYSL-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1(CNCC(=O)NC)CCCCC1 ZINC001378423690 960737561 /nfs/dbraw/zinc/73/75/61/960737561.db2.gz ZPGFXTPHMCBYSL-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CC[C@H](C)C1 ZINC001378544122 960977473 /nfs/dbraw/zinc/97/74/73/960977473.db2.gz JYXPXLKPWKFSEF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CC[C@H](C)C1 ZINC001378544122 960977486 /nfs/dbraw/zinc/97/74/86/960977486.db2.gz JYXPXLKPWKFSEF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001378582516 961074985 /nfs/dbraw/zinc/07/49/85/961074985.db2.gz AGZHTKSBVLSTDE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nc1C)N(C)C ZINC001378582520 961076054 /nfs/dbraw/zinc/07/60/54/961076054.db2.gz UIICHJYHEAOODZ-SWLSCSKDSA-N 1 3 309.458 0.911 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001378607252 961113887 /nfs/dbraw/zinc/11/38/87/961113887.db2.gz AKKIMUUPHKRUEY-DZGCQCFKSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1nccnc1C)N(C)C ZINC001378619267 961140290 /nfs/dbraw/zinc/14/02/90/961140290.db2.gz ZKXGAHOAVYXGAV-DOMZBBRYSA-N 1 3 307.442 0.967 20 0 DCADHO CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001447068309 1013233450 /nfs/dbraw/zinc/23/34/50/1013233450.db2.gz VSPYGZDTXSEECT-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001378719111 961335872 /nfs/dbraw/zinc/33/58/72/961335872.db2.gz XACITIVOPGJLPD-UHFFFAOYSA-N 1 3 308.430 0.285 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CC[C@@H]3CC[NH2+]C3)C2)nn1 ZINC001549047653 1013247396 /nfs/dbraw/zinc/24/73/96/1013247396.db2.gz VSLFWWVBIPXSSI-OCCSQVGLSA-N 1 3 306.414 0.290 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001378815476 961533164 /nfs/dbraw/zinc/53/31/64/961533164.db2.gz KEAOXRBXZWSNJG-QWHCGFSZSA-N 1 3 320.437 0.672 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)C(C)(C)[N@H+](C)CC)C1)N(C)C ZINC001430239062 1013277329 /nfs/dbraw/zinc/27/73/29/1013277329.db2.gz YWYWNWXVJFPXIE-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1)N(C)C ZINC001430239062 1013277336 /nfs/dbraw/zinc/27/73/36/1013277336.db2.gz YWYWNWXVJFPXIE-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO O[C@H]1CC[N@H+](Cc2ccc(CNC3COCCOC3)cc2)C1 ZINC001363658212 961639393 /nfs/dbraw/zinc/63/93/93/961639393.db2.gz VOFQYJWSKWIFMB-KRWDZBQOSA-N 1 3 306.406 0.758 20 0 DCADHO O[C@H]1CC[N@@H+](Cc2ccc(CNC3COCCOC3)cc2)C1 ZINC001363658212 961639406 /nfs/dbraw/zinc/63/94/06/961639406.db2.gz VOFQYJWSKWIFMB-KRWDZBQOSA-N 1 3 306.406 0.758 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC001379732649 961882392 /nfs/dbraw/zinc/88/23/92/961882392.db2.gz ZVMHPUVLJASEPO-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH+]1CCC(N2CCCN(C[C@@](C)(O)C(C)=O)CC2)CC1 ZINC001363808890 961936110 /nfs/dbraw/zinc/93/61/10/961936110.db2.gz KACVYNOXSXUWIT-QGZVFWFLSA-N 1 3 311.470 0.818 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N1CCCCC1 ZINC001379109438 962122323 /nfs/dbraw/zinc/12/23/23/962122323.db2.gz UGHRMODWQMTKNP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001379155799 962220094 /nfs/dbraw/zinc/22/00/94/962220094.db2.gz OYTNRSMBINXMIQ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001379928419 962317031 /nfs/dbraw/zinc/31/70/31/962317031.db2.gz VZPUUEDQWMKYMB-OAHLLOKOSA-N 1 3 317.437 0.500 20 0 DCADHO CC(C)(C(=O)NC[C@H](O)CNCc1ccccn1)[NH+]1CCCC1 ZINC001379227340 962407397 /nfs/dbraw/zinc/40/73/97/962407397.db2.gz LTDCFTSHAUJBML-OAHLLOKOSA-N 1 3 320.437 0.523 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001447292882 1013350119 /nfs/dbraw/zinc/35/01/19/1013350119.db2.gz ZBPPYARAOJXRGY-KGLIPLIRSA-N 1 3 313.442 0.323 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001379308570 962595099 /nfs/dbraw/zinc/59/50/99/962595099.db2.gz UTAGUAYSHYFMBG-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001379308570 962595109 /nfs/dbraw/zinc/59/51/09/962595109.db2.gz UTAGUAYSHYFMBG-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001380176299 962826405 /nfs/dbraw/zinc/82/64/05/962826405.db2.gz JYKCGTIWHKNHJY-PESDSKBTSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCC([N@H+](C)CCCO)CC1 ZINC001364354497 962947845 /nfs/dbraw/zinc/94/78/45/962947845.db2.gz ZIWQFPBZMMNHHY-MRXNPFEDSA-N 1 3 313.486 0.733 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCC([N@@H+](C)CCCO)CC1 ZINC001364354497 962947857 /nfs/dbraw/zinc/94/78/57/962947857.db2.gz ZIWQFPBZMMNHHY-MRXNPFEDSA-N 1 3 313.486 0.733 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001380274811 962972082 /nfs/dbraw/zinc/97/20/82/962972082.db2.gz WVMCKEYVNAIWJD-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2CNCC(N)=O)cc1 ZINC001380282109 962984929 /nfs/dbraw/zinc/98/49/29/962984929.db2.gz IMFGXYOHRWQUGQ-HNNXBMFYSA-N 1 3 318.421 0.428 20 0 DCADHO Cc1nc([C@H](C)NC[C@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001380292644 963000040 /nfs/dbraw/zinc/00/00/40/963000040.db2.gz RCRIVCYRVDSZRJ-WCQYABFASA-N 1 3 308.430 0.706 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001379517568 963110462 /nfs/dbraw/zinc/11/04/62/963110462.db2.gz UJKKTVOFKYBGNZ-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001379530988 963141930 /nfs/dbraw/zinc/14/19/30/963141930.db2.gz VLWIYZDYNJVMCB-HZPDHXFCSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001379530988 963141938 /nfs/dbraw/zinc/14/19/38/963141938.db2.gz VLWIYZDYNJVMCB-HZPDHXFCSA-N 1 3 305.422 0.513 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001379534545 963143887 /nfs/dbraw/zinc/14/38/87/963143887.db2.gz DXLKJVSBURTMBS-FQUUOJAGSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001379534545 963143899 /nfs/dbraw/zinc/14/38/99/963143899.db2.gz DXLKJVSBURTMBS-FQUUOJAGSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001380429613 963192175 /nfs/dbraw/zinc/19/21/75/963192175.db2.gz ZOAVQSAGRCOMOC-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001380683824 963488191 /nfs/dbraw/zinc/48/81/91/963488191.db2.gz CKXHHMXTHUMZJB-UONOGXRCSA-N 1 3 322.457 0.339 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001380785833 963580984 /nfs/dbraw/zinc/58/09/84/963580984.db2.gz YHBBBPPMRXYGEO-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001380802580 963590778 /nfs/dbraw/zinc/59/07/78/963590778.db2.gz HTTYSUQFZKQQFE-AJNGGQMLSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001381254865 963923276 /nfs/dbraw/zinc/92/32/76/963923276.db2.gz HQZVFJDUUKPSCV-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001381254865 963923278 /nfs/dbraw/zinc/92/32/78/963923278.db2.gz HQZVFJDUUKPSCV-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC(=O)N(C)C1CC1 ZINC001368875505 964076005 /nfs/dbraw/zinc/07/60/05/964076005.db2.gz YVMMPGYBBLGLEP-QWHCGFSZSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001375178071 964102206 /nfs/dbraw/zinc/10/22/06/964102206.db2.gz RAVRHXBOHVNGMZ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001375215302 964136181 /nfs/dbraw/zinc/13/61/81/964136181.db2.gz QFLPKZZPXQOQSC-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]C[C@H]2CCOC2)C2CC2)CCC1 ZINC001375229605 964154203 /nfs/dbraw/zinc/15/42/03/964154203.db2.gz OIEPVDDTLMMCBB-HIFRSBDPSA-N 1 3 309.454 0.992 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001375271379 964192347 /nfs/dbraw/zinc/19/23/47/964192347.db2.gz MXYVZBNVXGAYNJ-IUODEOHRSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001375271379 964192354 /nfs/dbraw/zinc/19/23/54/964192354.db2.gz MXYVZBNVXGAYNJ-IUODEOHRSA-N 1 3 322.453 0.091 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001369187213 964501214 /nfs/dbraw/zinc/50/12/14/964501214.db2.gz RHAOOTHPXHKZKK-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001369187213 964501220 /nfs/dbraw/zinc/50/12/20/964501220.db2.gz RHAOOTHPXHKZKK-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCN(CC)C1=O ZINC001373791528 964632193 /nfs/dbraw/zinc/63/21/93/964632193.db2.gz OBURIGJACUMTIB-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001373798292 964646960 /nfs/dbraw/zinc/64/69/60/964646960.db2.gz RFEDGYYHKFCALC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001373919892 964783893 /nfs/dbraw/zinc/78/38/93/964783893.db2.gz FPBXGKARSVETEH-JOCQHMNTSA-N 1 3 312.458 0.467 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001375768805 964819157 /nfs/dbraw/zinc/81/91/57/964819157.db2.gz VNRUTSRWRPNMQT-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1n[nH]c(C)n1 ZINC001375768805 964819164 /nfs/dbraw/zinc/81/91/64/964819164.db2.gz VNRUTSRWRPNMQT-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001373964782 964828217 /nfs/dbraw/zinc/82/82/17/964828217.db2.gz BHUCMRSKMIFZHU-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1cc(C)cc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001369378100 964854203 /nfs/dbraw/zinc/85/42/03/964854203.db2.gz ARXCVGMKQKQIJG-IRXDYDNUSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cc(C)cc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001369378100 964854210 /nfs/dbraw/zinc/85/42/10/964854210.db2.gz ARXCVGMKQKQIJG-IRXDYDNUSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369379914 964858056 /nfs/dbraw/zinc/85/80/56/964858056.db2.gz FJRVYPVRGPTNIH-HZPDHXFCSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369379914 964858062 /nfs/dbraw/zinc/85/80/62/964858062.db2.gz FJRVYPVRGPTNIH-HZPDHXFCSA-N 1 3 305.422 0.513 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(CNCc3cnns3)C2)C1 ZINC001375896356 964962815 /nfs/dbraw/zinc/96/28/15/964962815.db2.gz PEASHBALDHZYKX-SWLSCSKDSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@](C)(CNCc3cnns3)C2)C1 ZINC001375896356 964962824 /nfs/dbraw/zinc/96/28/24/964962824.db2.gz PEASHBALDHZYKX-SWLSCSKDSA-N 1 3 323.466 0.818 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@@H]2CCNC2=O)C(C)(C)C1 ZINC001369455463 965004028 /nfs/dbraw/zinc/00/40/28/965004028.db2.gz IVRRKZNDYHEMPA-OLZOCXBDSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001374289108 965230525 /nfs/dbraw/zinc/23/05/25/965230525.db2.gz UEGHAMYMSCUKGC-QWHCGFSZSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001374314537 965267941 /nfs/dbraw/zinc/26/79/41/965267941.db2.gz SJKLFZYCSXUBNB-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCCC[NH+]1CCN(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001369910680 965554373 /nfs/dbraw/zinc/55/43/73/965554373.db2.gz CUMIHZVQALAKDO-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001376378687 965592849 /nfs/dbraw/zinc/59/28/49/965592849.db2.gz WPJWMYZRTFUQRS-AAVRWANBSA-N 1 3 312.458 0.478 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001376492638 965734379 /nfs/dbraw/zinc/73/43/79/965734379.db2.gz DVQMKMRBFYABCJ-ZNMIVQPWSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001374720390 965808618 /nfs/dbraw/zinc/80/86/18/965808618.db2.gz JCOHITNQLAPEDX-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)CN(C)C(C)C)C1)[NH+](C)C ZINC001374727228 965822626 /nfs/dbraw/zinc/82/26/26/965822626.db2.gz DDLOZZIIUHMXAC-OAHLLOKOSA-N 1 3 312.458 0.240 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001374768330 965892425 /nfs/dbraw/zinc/89/24/25/965892425.db2.gz WIRZIISGEPXUGG-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001374768330 965892433 /nfs/dbraw/zinc/89/24/33/965892433.db2.gz WIRZIISGEPXUGG-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001370263757 965936264 /nfs/dbraw/zinc/93/62/64/965936264.db2.gz JGWCDDDQCCTHTM-ZFWWWQNUSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001374805968 965952956 /nfs/dbraw/zinc/95/29/56/965952956.db2.gz MEHZQIMTYZHPPS-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001370285786 965961692 /nfs/dbraw/zinc/96/16/92/965961692.db2.gz XILZVTMBSLSBFW-UKRRQHHQSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001370285786 965961706 /nfs/dbraw/zinc/96/17/06/965961706.db2.gz XILZVTMBSLSBFW-UKRRQHHQSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC1CC1 ZINC001370391408 966074588 /nfs/dbraw/zinc/07/45/88/966074588.db2.gz BYIZUSJWXDEZDH-DOMZBBRYSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001370392192 966075096 /nfs/dbraw/zinc/07/50/96/966075096.db2.gz QYOKSEMCADZPGS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001370392192 966075107 /nfs/dbraw/zinc/07/51/07/966075107.db2.gz QYOKSEMCADZPGS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001370425915 966107886 /nfs/dbraw/zinc/10/78/86/966107886.db2.gz IFFMGQVWNRWGQL-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)n1 ZINC001376754019 966121132 /nfs/dbraw/zinc/12/11/32/966121132.db2.gz WESOZDUVDOUTAF-GFCCVEGCSA-N 1 3 322.457 0.474 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001376770919 966145856 /nfs/dbraw/zinc/14/58/56/966145856.db2.gz FVHQGZJGDUQVRW-INIZCTEOSA-N 1 3 315.433 0.820 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374925520 966146885 /nfs/dbraw/zinc/14/68/85/966146885.db2.gz CIPUCVWCYWIWPX-YDHLFZDLSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374925520 966146890 /nfs/dbraw/zinc/14/68/90/966146890.db2.gz CIPUCVWCYWIWPX-YDHLFZDLSA-N 1 3 307.442 0.745 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)CC(C)(C)C ZINC001370520466 966210236 /nfs/dbraw/zinc/21/02/36/966210236.db2.gz HYEKFOHQKVCMPH-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001370543839 966231178 /nfs/dbraw/zinc/23/11/78/966231178.db2.gz BVRBARYOSALUBT-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1)N(C)C ZINC001370717101 966411635 /nfs/dbraw/zinc/41/16/35/966411635.db2.gz ZTHRWQMHAIYKSN-FRRDWIJNSA-N 1 3 312.458 0.478 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001381464210 966439175 /nfs/dbraw/zinc/43/91/75/966439175.db2.gz VPOPJXWZQBYLDJ-NFOMZHRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001370838538 966529378 /nfs/dbraw/zinc/52/93/78/966529378.db2.gz YHHFFGWAPGQIGC-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001370857701 966544989 /nfs/dbraw/zinc/54/49/89/966544989.db2.gz YJUDBFCDEDIJEC-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381745361 966658964 /nfs/dbraw/zinc/65/89/64/966658964.db2.gz JVVDEQNLZCSWQS-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCC[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381745361 966658970 /nfs/dbraw/zinc/65/89/70/966658970.db2.gz JVVDEQNLZCSWQS-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cncn3C)C2)CCC1 ZINC001381963975 966820728 /nfs/dbraw/zinc/82/07/28/966820728.db2.gz VECIBIXKOSRMGO-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(=O)N(C)C ZINC001371268881 966861129 /nfs/dbraw/zinc/86/11/29/966861129.db2.gz UEXJKJCBSDYUJZ-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001382067075 966910773 /nfs/dbraw/zinc/91/07/73/966910773.db2.gz MAHZEXTUWMIVQA-WFASDCNBSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H](C)C(N)=O ZINC001382160358 966990974 /nfs/dbraw/zinc/99/09/74/966990974.db2.gz AKQPHBZBZPOMDZ-OLZOCXBDSA-N 1 3 320.437 0.672 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001382303379 967188018 /nfs/dbraw/zinc/18/80/18/967188018.db2.gz LMWKRQVYFSZESP-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC1CC(C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001382471718 967418800 /nfs/dbraw/zinc/41/88/00/967418800.db2.gz REOVUBVFKRODBB-PIMMBPRGSA-N 1 3 308.426 0.749 20 0 DCADHO CC1CC(C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001382471718 967418805 /nfs/dbraw/zinc/41/88/05/967418805.db2.gz REOVUBVFKRODBB-PIMMBPRGSA-N 1 3 308.426 0.749 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001372478997 968023238 /nfs/dbraw/zinc/02/32/38/968023238.db2.gz FLJMNQNPKNGNDJ-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001372672045 968234880 /nfs/dbraw/zinc/23/48/80/968234880.db2.gz PCYWBZQZLZYGBT-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001372672045 968234890 /nfs/dbraw/zinc/23/48/90/968234890.db2.gz PCYWBZQZLZYGBT-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001372988932 968600158 /nfs/dbraw/zinc/60/01/58/968600158.db2.gz VDYIYRUIOBNCDG-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001373493682 969154618 /nfs/dbraw/zinc/15/46/18/969154618.db2.gz JYBNDMPHEGCRKW-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001431271175 1013975300 /nfs/dbraw/zinc/97/53/00/1013975300.db2.gz QGZWCOGNLDKLTP-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)NC(C)(C)C ZINC001448661796 1013987140 /nfs/dbraw/zinc/98/71/40/1013987140.db2.gz NNAQWBNZIHGMLI-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001448889986 1014085444 /nfs/dbraw/zinc/08/54/44/1014085444.db2.gz BYJJNQSSVTYSMV-MRXNPFEDSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001448948563 1014105284 /nfs/dbraw/zinc/10/52/84/1014105284.db2.gz UVENTBUDXRXOLW-JKSUJKDBSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001448948563 1014105286 /nfs/dbraw/zinc/10/52/86/1014105286.db2.gz UVENTBUDXRXOLW-JKSUJKDBSA-N 1 3 305.422 0.513 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001448984991 1014118859 /nfs/dbraw/zinc/11/88/59/1014118859.db2.gz VHXRXBMXYNRLLU-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+](CC)CC ZINC001449074588 1014167816 /nfs/dbraw/zinc/16/78/16/1014167816.db2.gz CINPHYDRWCCCSE-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C[C@H](O)C[NH2+]CC1CC2(CCC2)C1)C(=O)Cc1c[nH]cn1 ZINC001449146643 1014239397 /nfs/dbraw/zinc/23/93/97/1014239397.db2.gz MQFWIEHFVNONOV-OAHLLOKOSA-N 1 3 320.437 0.941 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CC1CC2(CCC2)C1)C(=O)Cc1c[nH]cn1 ZINC001449146638 1014239814 /nfs/dbraw/zinc/23/98/14/1014239814.db2.gz MQFWIEHFVNONOV-HNNXBMFYSA-N 1 3 320.437 0.941 20 0 DCADHO Cc1ncc(CNC2CC(N(C)C(=O)CC[NH+](C)C)C2)cn1 ZINC001449382641 1014447598 /nfs/dbraw/zinc/44/75/98/1014447598.db2.gz GFURPPHLRHWKFM-UHFFFAOYSA-N 1 3 305.426 0.816 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]34CCC[C@H]3C[NH2+]C4)C2)nn1 ZINC001549902269 1014484720 /nfs/dbraw/zinc/48/47/20/1014484720.db2.gz VHNQAQXOVYHFLV-JGGQBBKZSA-N 1 3 318.425 0.290 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC2CC([NH+]3CCCC3)C2)CC1=O ZINC001549936160 1014500607 /nfs/dbraw/zinc/50/06/07/1014500607.db2.gz VJQARSDJHVKWNO-WLYUNCDWSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)Cc1c[nH]cn1 ZINC001449503328 1014515624 /nfs/dbraw/zinc/51/56/24/1014515624.db2.gz DNGJDNVSSHLXFH-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001449549954 1014539453 /nfs/dbraw/zinc/53/94/53/1014539453.db2.gz JQQIGBVYOXBDMZ-WLYUNCDWSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550063432 1014543399 /nfs/dbraw/zinc/54/33/99/1014543399.db2.gz RPRMCQCRIBRZIJ-ZFWWWQNUSA-N 1 3 321.425 0.237 20 0 DCADHO COc1ccc([C@@H]2CN(C(=O)[C@@H](N)CC(F)F)C[C@@H]2[NH3+])cc1 ZINC001550108183 1014575192 /nfs/dbraw/zinc/57/51/92/1014575192.db2.gz GHDOLXOMAIRHJD-AVGNSLFASA-N 1 3 313.348 0.931 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001550602374 1014771105 /nfs/dbraw/zinc/77/11/05/1014771105.db2.gz MZICXRMJOPXZTF-ILXRZTDVSA-N 1 3 320.441 0.464 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001550602374 1014771116 /nfs/dbraw/zinc/77/11/16/1014771116.db2.gz MZICXRMJOPXZTF-ILXRZTDVSA-N 1 3 320.441 0.464 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550750668 1014837789 /nfs/dbraw/zinc/83/77/89/1014837789.db2.gz SWLHXAZKWZFRKI-ZIAGYGMSSA-N 1 3 321.429 0.096 20 0 DCADHO N[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC[C@@H]1F ZINC001550755923 1014841583 /nfs/dbraw/zinc/84/15/83/1014841583.db2.gz NIWWKMZLVXBXNC-FRRDWIJNSA-N 1 3 314.405 0.226 20 0 DCADHO [NH3+][C@@]1(CO)CCCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001550765016 1014855832 /nfs/dbraw/zinc/85/58/32/1014855832.db2.gz RYGQEGFTCQSINV-RDJZCZTQSA-N 1 3 318.421 0.196 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001383117408 984682767 /nfs/dbraw/zinc/68/27/67/984682767.db2.gz VYZXCQYQDNOVON-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001383117408 984682772 /nfs/dbraw/zinc/68/27/72/984682772.db2.gz VYZXCQYQDNOVON-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001383527751 984916431 /nfs/dbraw/zinc/91/64/31/984916431.db2.gz SWDIUHOVDMUHFT-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001450379327 1015102161 /nfs/dbraw/zinc/10/21/61/1015102161.db2.gz ZFHLLHFEJIELDW-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001551498375 1015118321 /nfs/dbraw/zinc/11/83/21/1015118321.db2.gz QDXRASDXWGTGIT-NPCAHTBFSA-N 1 3 310.442 0.681 20 0 DCADHO [NH3+][C@H]1CC12CCC(NC(=O)N[C@@H]1CCCN(CCCO)C1)CC2 ZINC001551566577 1015141934 /nfs/dbraw/zinc/14/19/34/1015141934.db2.gz GZUBHASQCJMALS-DGNOSDGRSA-N 1 3 324.469 0.792 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001525506195 1015152000 /nfs/dbraw/zinc/15/20/00/1015152000.db2.gz GKFWECLLZWIVJH-ZQDZILKHSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1)N(C)C ZINC001384565148 985667411 /nfs/dbraw/zinc/66/74/11/985667411.db2.gz QSYHWHIXSYGAEP-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+][C@H]1CC12CC(NC(=O)N1CCN(CC3CCOCC3)CC1)C2 ZINC001551596979 1015153482 /nfs/dbraw/zinc/15/34/82/1015153482.db2.gz XWOYEYCTMIHDGP-CKDBGZEDSA-N 1 3 322.453 0.620 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001385511154 986399259 /nfs/dbraw/zinc/39/92/59/986399259.db2.gz GPVJOQWDVBXNIV-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385832020 986618107 /nfs/dbraw/zinc/61/81/07/986618107.db2.gz MKUHJMOJBYPAOV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385832020 986618111 /nfs/dbraw/zinc/61/81/11/986618111.db2.gz MKUHJMOJBYPAOV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC001552011871 1015247207 /nfs/dbraw/zinc/24/72/07/1015247207.db2.gz QWCGRNQBYSEXOE-HRCADAONSA-N 1 3 324.469 0.975 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21)N(C)C ZINC001386112327 986841635 /nfs/dbraw/zinc/84/16/35/986841635.db2.gz SBUZUHAKNUDDBK-CTASWTNQSA-N 1 3 324.469 0.241 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CCCN2C)cnn1C ZINC001552169165 1015303253 /nfs/dbraw/zinc/30/32/53/1015303253.db2.gz YFCWRJXSVNNVDN-SNPRPXQTSA-N 1 3 305.426 0.242 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001526693960 1015321241 /nfs/dbraw/zinc/32/12/41/1015321241.db2.gz HIXBSXJBAXBWGE-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001526693960 1015321251 /nfs/dbraw/zinc/32/12/51/1015321251.db2.gz HIXBSXJBAXBWGE-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001387238068 987724951 /nfs/dbraw/zinc/72/49/51/987724951.db2.gz AENRLYXGIHMSPX-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001387238068 987724957 /nfs/dbraw/zinc/72/49/57/987724957.db2.gz AENRLYXGIHMSPX-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001387801345 988163450 /nfs/dbraw/zinc/16/34/50/988163450.db2.gz PDNFFQBDUFQSBS-CQSZACIVSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001387886383 988252915 /nfs/dbraw/zinc/25/29/15/988252915.db2.gz OOCWQAWUFCAEHJ-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001387886383 988252922 /nfs/dbraw/zinc/25/29/22/988252922.db2.gz OOCWQAWUFCAEHJ-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001387948247 988315462 /nfs/dbraw/zinc/31/54/62/988315462.db2.gz GMGVNDNUBKDKRB-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001388749234 988556975 /nfs/dbraw/zinc/55/69/75/988556975.db2.gz VAXGVGCEGCWLHW-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001389340134 989136714 /nfs/dbraw/zinc/13/67/14/989136714.db2.gz AKKACLMIQVNNCF-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001389340134 989136718 /nfs/dbraw/zinc/13/67/18/989136718.db2.gz AKKACLMIQVNNCF-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](N[C@H](C)C(N)=O)C2CC2)CC1 ZINC001389689606 989491420 /nfs/dbraw/zinc/49/14/20/989491420.db2.gz JFMITEQVTZPUJU-DOMZBBRYSA-N 1 3 324.469 0.465 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001389699211 989499623 /nfs/dbraw/zinc/49/96/23/989499623.db2.gz XZLLJHXKDJDZBI-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001389859182 989642409 /nfs/dbraw/zinc/64/24/09/989642409.db2.gz UXAREXZNJPTVJG-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001389859182 989642413 /nfs/dbraw/zinc/64/24/13/989642413.db2.gz UXAREXZNJPTVJG-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001390101585 989819325 /nfs/dbraw/zinc/81/93/25/989819325.db2.gz COVWAKMEKRXYGE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001390144922 989864941 /nfs/dbraw/zinc/86/49/41/989864941.db2.gz LACLROBJUGZHTA-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001390485314 990139373 /nfs/dbraw/zinc/13/93/73/990139373.db2.gz SUUNMBDUKHBXGA-DOMZBBRYSA-N 1 3 320.437 0.720 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001390575828 990212797 /nfs/dbraw/zinc/21/27/97/990212797.db2.gz GUEDEICKCWEBIL-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390575828 990212804 /nfs/dbraw/zinc/21/28/04/990212804.db2.gz GUEDEICKCWEBIL-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001390594192 990228996 /nfs/dbraw/zinc/22/89/96/990228996.db2.gz UFVLHXDUNGGOHZ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001552956664 1015575491 /nfs/dbraw/zinc/57/54/91/1015575491.db2.gz UFKULUVJRZJCRG-INMHGKMJSA-N 1 3 322.453 0.824 20 0 DCADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001391204636 990666168 /nfs/dbraw/zinc/66/61/68/990666168.db2.gz FFEHTFYTCVPERK-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001391212616 990674029 /nfs/dbraw/zinc/67/40/29/990674029.db2.gz KQSPTXUKWZAFQI-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001391212616 990674034 /nfs/dbraw/zinc/67/40/34/990674034.db2.gz KQSPTXUKWZAFQI-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001391354789 990774658 /nfs/dbraw/zinc/77/46/58/990774658.db2.gz NDGFYNWWTSWAHY-QLFBSQMISA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001391354789 990774660 /nfs/dbraw/zinc/77/46/60/990774660.db2.gz NDGFYNWWTSWAHY-QLFBSQMISA-N 1 3 315.458 0.114 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCCN(C)C1=O ZINC001391355860 990777144 /nfs/dbraw/zinc/77/71/44/990777144.db2.gz PIMMFGOPMXTWKK-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(CC1CCN(C(=O)CCC[NH+](C)C)CC1)[C@H]1CCNC1=O ZINC001391367318 990786122 /nfs/dbraw/zinc/78/61/22/990786122.db2.gz RAYPRNFNKBUOLZ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cncn1C ZINC001391909485 991284846 /nfs/dbraw/zinc/28/48/46/991284846.db2.gz ACTDJLKXBCYHOE-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001392062983 991453747 /nfs/dbraw/zinc/45/37/47/991453747.db2.gz PFTIIPXKCLZNHM-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001392062983 991453752 /nfs/dbraw/zinc/45/37/52/991453752.db2.gz PFTIIPXKCLZNHM-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001392326913 991757892 /nfs/dbraw/zinc/75/78/92/991757892.db2.gz NXNNJBWYSJHKMQ-KBPBESRZSA-N 1 3 320.441 0.107 20 0 DCADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001392326913 991757897 /nfs/dbraw/zinc/75/78/97/991757897.db2.gz NXNNJBWYSJHKMQ-KBPBESRZSA-N 1 3 320.441 0.107 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CC[NH+](C)C)C(=O)C1(N(C)C)CCC1 ZINC001414125777 992005500 /nfs/dbraw/zinc/00/55/00/992005500.db2.gz QIADFBNCBSATRA-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001392506106 992019989 /nfs/dbraw/zinc/01/99/89/992019989.db2.gz SJWWAFKKFWQWSN-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001392524516 992046297 /nfs/dbraw/zinc/04/62/97/992046297.db2.gz QJCVKESFJWIWFZ-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001392560283 992093892 /nfs/dbraw/zinc/09/38/92/992093892.db2.gz FWMPOPACDPRNHX-SWLSCSKDSA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001392569270 992108930 /nfs/dbraw/zinc/10/89/30/992108930.db2.gz WTUYTFROQUFEGD-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001392592986 992133904 /nfs/dbraw/zinc/13/39/04/992133904.db2.gz DDCQKRQOEDVLLB-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001392592247 992135155 /nfs/dbraw/zinc/13/51/55/992135155.db2.gz KEICCUOOADEQAM-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)CC1CC[NH+](C)CC1 ZINC001392698950 992284968 /nfs/dbraw/zinc/28/49/68/992284968.db2.gz CPXBGXINJYITMT-AWEZNQCLSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392821893 992427227 /nfs/dbraw/zinc/42/72/27/992427227.db2.gz AMRGQZPFAZHXHM-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392821893 992427231 /nfs/dbraw/zinc/42/72/31/992427231.db2.gz AMRGQZPFAZHXHM-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)CC ZINC001393060645 992659083 /nfs/dbraw/zinc/65/90/83/992659083.db2.gz ZZLCGXMZEKGLLH-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001393393662 992941433 /nfs/dbraw/zinc/94/14/33/992941433.db2.gz FLACDZFIAKYHAL-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001393579985 993101011 /nfs/dbraw/zinc/10/10/11/993101011.db2.gz AYEYPMNCBKOSSH-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC[N@H+](C[C@H](O)COC)CC1)N(C)C ZINC001393601931 993118131 /nfs/dbraw/zinc/11/81/31/993118131.db2.gz RGYRPZSOIHBZLL-SOUVJXGZSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COC)CC1)N(C)C ZINC001393601931 993118134 /nfs/dbraw/zinc/11/81/34/993118134.db2.gz RGYRPZSOIHBZLL-SOUVJXGZSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@H](C)C1 ZINC001393788939 993254871 /nfs/dbraw/zinc/25/48/71/993254871.db2.gz QMUBVGWJACEPNB-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@H](C)C1 ZINC001393788939 993254878 /nfs/dbraw/zinc/25/48/78/993254878.db2.gz QMUBVGWJACEPNB-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](NCC(=O)NCC1CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001393983530 993391168 /nfs/dbraw/zinc/39/11/68/993391168.db2.gz ZQUUODYYNARVCI-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)N(C)CCn1cccn1)[NH+](C)C ZINC001394081203 993463175 /nfs/dbraw/zinc/46/31/75/993463175.db2.gz WWJDDYFOQLNFKH-CABCVRRESA-N 1 3 309.458 0.906 20 0 DCADHO CN(CC(=O)N1CC(N(C)C(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001394085300 993466215 /nfs/dbraw/zinc/46/62/15/993466215.db2.gz YBIYITGGSHSQIN-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CCCC[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001394203647 993537857 /nfs/dbraw/zinc/53/78/57/993537857.db2.gz MPEKRDVWZQTOPT-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394203647 993537860 /nfs/dbraw/zinc/53/78/60/993537860.db2.gz MPEKRDVWZQTOPT-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1 ZINC001394343867 993637301 /nfs/dbraw/zinc/63/73/01/993637301.db2.gz DWKWKIIUMWJUSR-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1 ZINC001394343867 993637306 /nfs/dbraw/zinc/63/73/06/993637306.db2.gz DWKWKIIUMWJUSR-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394446252 993712296 /nfs/dbraw/zinc/71/22/96/993712296.db2.gz DBKIZDMUKBXLDX-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394446252 993712303 /nfs/dbraw/zinc/71/23/03/993712303.db2.gz DBKIZDMUKBXLDX-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001394494384 993766023 /nfs/dbraw/zinc/76/60/23/993766023.db2.gz FFSZCQWWAJHFFG-QWHCGFSZSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](CO)NCCC(F)(F)F)[NH+](C)C ZINC001394627637 993932803 /nfs/dbraw/zinc/93/28/03/993932803.db2.gz VFGDRHMZTCKRQY-WDEREUQCSA-N 1 3 313.364 0.592 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCC2CCCC2)C1 ZINC001394634893 993943420 /nfs/dbraw/zinc/94/34/20/993943420.db2.gz LYQYSVIASHJIML-HOCLYGCPSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CCC[NH+](C)C ZINC001394665145 993990537 /nfs/dbraw/zinc/99/05/37/993990537.db2.gz DHMQUICWYBZCIZ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001394674790 994007793 /nfs/dbraw/zinc/00/77/93/994007793.db2.gz VTHYLXQXANQWPN-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394705166 994038957 /nfs/dbraw/zinc/03/89/57/994038957.db2.gz ODYDGWSETCMMFI-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001400059092 994115040 /nfs/dbraw/zinc/11/50/40/994115040.db2.gz YMQUMVXKOWSNNH-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001395596964 994789602 /nfs/dbraw/zinc/78/96/02/994789602.db2.gz SJVXGNJTBZZWRF-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395596964 994789614 /nfs/dbraw/zinc/78/96/14/994789614.db2.gz SJVXGNJTBZZWRF-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001507024497 1015900398 /nfs/dbraw/zinc/90/03/98/1015900398.db2.gz WTZTTZCQZODZNQ-HNNXBMFYSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)N(C)CC ZINC001400823189 994981114 /nfs/dbraw/zinc/98/11/14/994981114.db2.gz JCTCEMDRYGHGJF-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001400873265 995027188 /nfs/dbraw/zinc/02/71/88/995027188.db2.gz YVCLUJFFEVEJJX-WFASDCNBSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001401090514 995165530 /nfs/dbraw/zinc/16/55/30/995165530.db2.gz SGNRLEKGWRBTAW-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001396514791 995443291 /nfs/dbraw/zinc/44/32/91/995443291.db2.gz SLYVQUIHVLJVLR-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396514791 995443295 /nfs/dbraw/zinc/44/32/95/995443295.db2.gz SLYVQUIHVLJVLR-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001502508003 1015947410 /nfs/dbraw/zinc/94/74/10/1015947410.db2.gz FRUMSIGRRZIXEE-UHFFFAOYSA-N 1 3 321.425 0.449 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1=O ZINC001396923369 995686637 /nfs/dbraw/zinc/68/66/37/995686637.db2.gz JYUPHFIWZAQKGF-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001396931855 995690975 /nfs/dbraw/zinc/69/09/75/995690975.db2.gz YDOBRZXZSGMVMM-CYBMUJFWSA-N 1 3 321.425 0.320 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001396935147 995692900 /nfs/dbraw/zinc/69/29/00/995692900.db2.gz FQBUCJAWVYHKRS-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001397682707 996129225 /nfs/dbraw/zinc/12/92/25/996129225.db2.gz QKEFQUGMHXBVAQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001397735731 996149433 /nfs/dbraw/zinc/14/94/33/996149433.db2.gz VOFJYMKNCMJURX-GFCCVEGCSA-N 1 3 321.425 0.638 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001397735731 996149434 /nfs/dbraw/zinc/14/94/34/996149434.db2.gz VOFJYMKNCMJURX-GFCCVEGCSA-N 1 3 321.425 0.638 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001397934392 996265891 /nfs/dbraw/zinc/26/58/91/996265891.db2.gz ALNGQQIBUDCNHW-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O)CC1 ZINC001507144142 1016025819 /nfs/dbraw/zinc/02/58/19/1016025819.db2.gz XNFOZQNFMDCYLS-OLZOCXBDSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001398196603 996407858 /nfs/dbraw/zinc/40/78/58/996407858.db2.gz DTCPQHVSAAFTDT-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)CC[NH+](C)C ZINC001398503247 996543270 /nfs/dbraw/zinc/54/32/70/996543270.db2.gz VUAQKOOJQOWNPS-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1)[NH+](C)C ZINC001398527194 996554909 /nfs/dbraw/zinc/55/49/09/996554909.db2.gz KMHHDLYEZQUYLK-XJKSGUPXSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001398564954 996575094 /nfs/dbraw/zinc/57/50/94/996575094.db2.gz OTEBDCBDFJJGMX-AJNGGQMLSA-N 1 3 324.469 0.621 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001398674801 996634002 /nfs/dbraw/zinc/63/40/02/996634002.db2.gz CLMHVPPNSQLTKU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCn1cc(CNC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001398753321 996673484 /nfs/dbraw/zinc/67/34/84/996673484.db2.gz XGPGHRNNXTVWEM-CQSZACIVSA-N 1 3 322.457 0.578 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001398758103 996675514 /nfs/dbraw/zinc/67/55/14/996675514.db2.gz GNILRTCPSGRPON-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001398766288 996678737 /nfs/dbraw/zinc/67/87/37/996678737.db2.gz HJHOMHVHLVLDOR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCCC1=O ZINC001398915943 996746998 /nfs/dbraw/zinc/74/69/98/996746998.db2.gz GXNGQQQBIQTBQU-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001399037291 996869955 /nfs/dbraw/zinc/86/99/55/996869955.db2.gz LAVLATNTIGMLKT-UKRRQHHQSA-N 1 3 309.458 0.643 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)CC[NH+](C)C ZINC001399046310 996884545 /nfs/dbraw/zinc/88/45/45/996884545.db2.gz WCRZIQOXWVFIIH-GFCCVEGCSA-N 1 3 309.414 0.223 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001404312590 996959755 /nfs/dbraw/zinc/95/97/55/996959755.db2.gz FHUURGNHCJBXCK-IAQYHMDHSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001404312590 996959768 /nfs/dbraw/zinc/95/97/68/996959768.db2.gz FHUURGNHCJBXCK-IAQYHMDHSA-N 1 3 316.421 0.121 20 0 DCADHO COc1cc(CN[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)ccn1 ZINC001399102307 996963575 /nfs/dbraw/zinc/96/35/75/996963575.db2.gz GVKGOUAJZJPPCQ-CYBMUJFWSA-N 1 3 318.421 0.780 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCN(C)C1=O ZINC001399161616 997039409 /nfs/dbraw/zinc/03/94/09/997039409.db2.gz LJMQROLALNUUKI-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001399256398 997130749 /nfs/dbraw/zinc/13/07/49/997130749.db2.gz XLHABRCERYEVSF-ZDUSSCGKSA-N 1 3 321.425 0.163 20 0 DCADHO CC(C)N1CC[C@H](N(C)S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC001573525327 1163457688 /nfs/dbraw/zinc/45/76/88/1163457688.db2.gz VPVJUJFSJPGWPL-KBPBESRZSA-N 1 3 303.472 0.873 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001404510676 997187882 /nfs/dbraw/zinc/18/78/82/997187882.db2.gz FRJTWBWBLCALFW-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001404510676 997187886 /nfs/dbraw/zinc/18/78/86/997187886.db2.gz FRJTWBWBLCALFW-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1)N(C)C ZINC001404531378 997212350 /nfs/dbraw/zinc/21/23/50/997212350.db2.gz LPDJDIJDMWGTCT-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1)N(C)C ZINC001404531378 997212365 /nfs/dbraw/zinc/21/23/65/997212365.db2.gz LPDJDIJDMWGTCT-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001405311217 998095591 /nfs/dbraw/zinc/09/55/91/998095591.db2.gz VKEOTVKTWBNBLZ-KBPBESRZSA-N 1 3 308.430 0.104 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H](CC)C(N)=O)CCCC1)N(C)C ZINC001405381831 998175698 /nfs/dbraw/zinc/17/56/98/998175698.db2.gz CCSMLYISEVOTAK-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001405488193 998267843 /nfs/dbraw/zinc/26/78/43/998267843.db2.gz PCNBXDOXAQXJPG-BBRMVZONSA-N 1 3 310.442 0.090 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2CCn2cncn2)C1 ZINC001418636592 1000411705 /nfs/dbraw/zinc/41/17/05/1000411705.db2.gz JEXHJTBTECREKH-LSDHHAIUSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2CCn2cncn2)C1 ZINC001418636592 1000411708 /nfs/dbraw/zinc/41/17/08/1000411708.db2.gz JEXHJTBTECREKH-LSDHHAIUSA-N 1 3 320.441 0.201 20 0 DCADHO CCn1cc(CCN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001401440278 1000425826 /nfs/dbraw/zinc/42/58/26/1000425826.db2.gz RPRZWIMEEIQQRW-MRXNPFEDSA-N 1 3 321.469 0.787 20 0 DCADHO CCn1cc(CCN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001401440278 1000425830 /nfs/dbraw/zinc/42/58/30/1000425830.db2.gz RPRZWIMEEIQQRW-MRXNPFEDSA-N 1 3 321.469 0.787 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cnnn3C)C2)CCC1 ZINC001418679636 1000444193 /nfs/dbraw/zinc/44/41/93/1000444193.db2.gz AAFBKZDDXCPPNC-JOCQHMNTSA-N 1 3 320.441 0.284 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1C)N(C)C ZINC001401554775 1000492648 /nfs/dbraw/zinc/49/26/48/1000492648.db2.gz KVOIJWKUPKTSPW-CABCVRRESA-N 1 3 308.426 0.297 20 0 DCADHO CN(CCN[C@H]1CCN(C2CCC2)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001418824476 1000550824 /nfs/dbraw/zinc/55/08/24/1000550824.db2.gz FSCNUPDQACBUKJ-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCN[C@H]1CCN(C2CCC2)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418824476 1000550829 /nfs/dbraw/zinc/55/08/29/1000550829.db2.gz FSCNUPDQACBUKJ-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001401624616 1000561639 /nfs/dbraw/zinc/56/16/39/1000561639.db2.gz HBOLFPMOIPKZGS-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001418913420 1000610898 /nfs/dbraw/zinc/61/08/98/1000610898.db2.gz KSQLCGSGBIXMEC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001418913420 1000610900 /nfs/dbraw/zinc/61/09/00/1000610900.db2.gz KSQLCGSGBIXMEC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001418913423 1000612054 /nfs/dbraw/zinc/61/20/54/1000612054.db2.gz KSQLCGSGBIXMEC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001418913423 1000612057 /nfs/dbraw/zinc/61/20/57/1000612057.db2.gz KSQLCGSGBIXMEC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCCC1 ZINC001401858462 1000792708 /nfs/dbraw/zinc/79/27/08/1000792708.db2.gz BQIKWTMCTVBDDS-GOEBONIOSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001419272432 1000938825 /nfs/dbraw/zinc/93/88/25/1000938825.db2.gz MWAJFQSSLXMODZ-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001402057299 1000981598 /nfs/dbraw/zinc/98/15/98/1000981598.db2.gz WIGKCOZSRLQDDX-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001402082431 1001001909 /nfs/dbraw/zinc/00/19/09/1001001909.db2.gz UFEAQTDLSZRXNF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001419383489 1001013602 /nfs/dbraw/zinc/01/36/02/1001013602.db2.gz NSTZVBPGHGDNGJ-NWDGAFQWSA-N 1 3 323.359 0.586 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cnn(C)c1 ZINC001419467963 1001075588 /nfs/dbraw/zinc/07/55/88/1001075588.db2.gz JPVZXIICCKBGBZ-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001419563395 1001142216 /nfs/dbraw/zinc/14/22/16/1001142216.db2.gz LHUOHRZRTUHPSD-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001402396064 1001277522 /nfs/dbraw/zinc/27/75/22/1001277522.db2.gz CDODRKCVFUYALA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001419772083 1001296626 /nfs/dbraw/zinc/29/66/26/1001296626.db2.gz PZXURKADHIPHBE-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001419794224 1001312698 /nfs/dbraw/zinc/31/26/98/1001312698.db2.gz PTACRAKCFJPPGD-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001402462742 1001332871 /nfs/dbraw/zinc/33/28/71/1001332871.db2.gz RPLQTESNOYRTFW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001402462742 1001332878 /nfs/dbraw/zinc/33/28/78/1001332878.db2.gz RPLQTESNOYRTFW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(CCN(C)CC(N)=O)CC2)C1 ZINC001419840898 1001346872 /nfs/dbraw/zinc/34/68/72/1001346872.db2.gz QXTUIRRRCDVIOH-AWEZNQCLSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(CCN(C)CC(N)=O)CC2)C1 ZINC001419840898 1001346879 /nfs/dbraw/zinc/34/68/79/1001346879.db2.gz QXTUIRRRCDVIOH-AWEZNQCLSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001419893982 1001392445 /nfs/dbraw/zinc/39/24/45/1001392445.db2.gz KKBLVPFAKPOELE-NWDGAFQWSA-N 1 3 310.442 0.077 20 0 DCADHO Cc1nnc([C@H](C)NC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001402693491 1001472928 /nfs/dbraw/zinc/47/29/28/1001472928.db2.gz OORMYMNOTRKGGY-GXTWGEPZSA-N 1 3 322.457 0.954 20 0 DCADHO COC[C@@H](O)C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001402782932 1001499842 /nfs/dbraw/zinc/49/98/42/1001499842.db2.gz OWRYECPBMFLCKE-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CC[C@@H](C)O3)C[C@H]21 ZINC001402821100 1001516018 /nfs/dbraw/zinc/51/60/18/1001516018.db2.gz TWUDGMVUVNJTET-NPCUJANDSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CC[C@@H](C)O3)C[C@H]21 ZINC001402821100 1001516022 /nfs/dbraw/zinc/51/60/22/1001516022.db2.gz TWUDGMVUVNJTET-NPCUJANDSA-N 1 3 309.454 0.942 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001402829677 1001520955 /nfs/dbraw/zinc/52/09/55/1001520955.db2.gz DMVUNHIWESGFGE-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001402882039 1001554394 /nfs/dbraw/zinc/55/43/94/1001554394.db2.gz MQBBENMXLNVXDR-KGLIPLIRSA-N 1 3 315.458 0.353 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccnn1C ZINC001402995802 1001623327 /nfs/dbraw/zinc/62/33/27/1001623327.db2.gz HRBGJYORUKAONV-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCn1cncn1 ZINC001402999628 1001625451 /nfs/dbraw/zinc/62/54/51/1001625451.db2.gz JCPLXLSMDMEKIE-ZDUSSCGKSA-N 1 3 310.446 0.350 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001403057560 1001653769 /nfs/dbraw/zinc/65/37/69/1001653769.db2.gz CINKXXFGOIZYDW-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001403063350 1001655904 /nfs/dbraw/zinc/65/59/04/1001655904.db2.gz IRAPBYLFRLZMGW-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001419955382 1001720075 /nfs/dbraw/zinc/72/00/75/1001720075.db2.gz USRYRPQZEHIADQ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001403256766 1001766101 /nfs/dbraw/zinc/76/61/01/1001766101.db2.gz SVUXUAMCLLJOTP-TZMCWYRMSA-N 1 3 322.457 0.954 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420125140 1001913912 /nfs/dbraw/zinc/91/39/12/1001913912.db2.gz IEOLHXPHMFLZIB-FVQBIDKESA-N 1 3 320.437 0.297 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420125140 1001913922 /nfs/dbraw/zinc/91/39/22/1001913922.db2.gz IEOLHXPHMFLZIB-FVQBIDKESA-N 1 3 320.437 0.297 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cncn1C)N(C)C ZINC001420126576 1001917195 /nfs/dbraw/zinc/91/71/95/1001917195.db2.gz XCMDWHYFRRHKSQ-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO C[NH+](C)CCC(=O)NC1CC(CNCc2cc3n(n2)CCC3)C1 ZINC001424731412 1001960354 /nfs/dbraw/zinc/96/03/54/1001960354.db2.gz MMAAFHMAASVQSV-UHFFFAOYSA-N 1 3 319.453 0.765 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001403470933 1002000572 /nfs/dbraw/zinc/00/05/72/1002000572.db2.gz WJZUKDYVSHKERJ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001403480223 1002011974 /nfs/dbraw/zinc/01/19/74/1002011974.db2.gz FHHNAUWZZUFSKA-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001403480223 1002011982 /nfs/dbraw/zinc/01/19/82/1002011982.db2.gz FHHNAUWZZUFSKA-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001424789807 1002025794 /nfs/dbraw/zinc/02/57/94/1002025794.db2.gz MXYNYCKMVPYTQB-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001403514795 1002059493 /nfs/dbraw/zinc/05/94/93/1002059493.db2.gz YGBJXGVPLKOPBL-OCCSQVGLSA-N 1 3 322.453 0.315 20 0 DCADHO CCCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403518895 1002066029 /nfs/dbraw/zinc/06/60/29/1002066029.db2.gz WFMCTCVKHQYHPC-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403518895 1002066035 /nfs/dbraw/zinc/06/60/35/1002066035.db2.gz WFMCTCVKHQYHPC-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C)C[C@H]1CCc2ncnn21 ZINC001420324956 1002227643 /nfs/dbraw/zinc/22/76/43/1002227643.db2.gz QDFSRMYAKWDYGP-CYBMUJFWSA-N 1 3 308.430 0.155 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C)C[C@H]1CCc2ncnn21 ZINC001420324956 1002227653 /nfs/dbraw/zinc/22/76/53/1002227653.db2.gz QDFSRMYAKWDYGP-CYBMUJFWSA-N 1 3 308.430 0.155 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCn1cccn1 ZINC001424999558 1002231080 /nfs/dbraw/zinc/23/10/80/1002231080.db2.gz OCMGYLCFUUDAPN-CQSZACIVSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001403640854 1002253159 /nfs/dbraw/zinc/25/31/59/1002253159.db2.gz YVNKDAHVQDCHAE-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)C[C@H]2CCNC(=O)CC2)C1 ZINC001403688702 1002354198 /nfs/dbraw/zinc/35/41/98/1002354198.db2.gz RHPXCDWYXCMZLO-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)C[C@H]2CCNC(=O)CC2)C1 ZINC001403688702 1002354204 /nfs/dbraw/zinc/35/42/04/1002354204.db2.gz RHPXCDWYXCMZLO-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2)C1 ZINC001403704521 1002389639 /nfs/dbraw/zinc/38/96/39/1002389639.db2.gz QXPWLEBWJKKVNL-HOCLYGCPSA-N 1 3 305.422 0.595 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420433134 1002409817 /nfs/dbraw/zinc/40/98/17/1002409817.db2.gz CXFBCVLWRLWNOD-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CCCC[C@H](CN[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001425176521 1002418968 /nfs/dbraw/zinc/41/89/68/1002418968.db2.gz FYKMJASRSZHJTO-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001403742819 1002452755 /nfs/dbraw/zinc/45/27/55/1002452755.db2.gz JGHPYAUKVWJUQQ-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001420475771 1002472721 /nfs/dbraw/zinc/47/27/21/1002472721.db2.gz IOIBPNIGDZYRGU-SOUVJXGZSA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001403760332 1002480059 /nfs/dbraw/zinc/48/00/59/1002480059.db2.gz VJEFAEIQBXGUNV-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)C(C)(C)C1 ZINC001403828957 1002588681 /nfs/dbraw/zinc/58/86/81/1002588681.db2.gz PZHZNPKRQCZFDQ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC(N)=O ZINC001403831950 1002596735 /nfs/dbraw/zinc/59/67/35/1002596735.db2.gz IOUQRIJKDYFHJJ-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)C(=O)NC)C[C@H]21 ZINC001425371452 1002615739 /nfs/dbraw/zinc/61/57/39/1002615739.db2.gz GGIUFKHYEKTGLV-TUVASFSCSA-N 1 3 324.469 0.147 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)C(=O)NC)C[C@H]21 ZINC001425371452 1002615745 /nfs/dbraw/zinc/61/57/45/1002615745.db2.gz GGIUFKHYEKTGLV-TUVASFSCSA-N 1 3 324.469 0.147 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1 ZINC001403843499 1002616124 /nfs/dbraw/zinc/61/61/24/1002616124.db2.gz VRIUFNYMGUIQJB-ZDUSSCGKSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001425421465 1002661195 /nfs/dbraw/zinc/66/11/95/1002661195.db2.gz OOSIYBLVDNZDGV-YDHLFZDLSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001425427464 1002668724 /nfs/dbraw/zinc/66/87/24/1002668724.db2.gz XTJONTMRLNPSEX-HDJSIYSDSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCn1cccn1 ZINC001403927674 1002759706 /nfs/dbraw/zinc/75/97/06/1002759706.db2.gz XCGIVDCLHVVQKF-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCn1cccn1 ZINC001403927674 1002759716 /nfs/dbraw/zinc/75/97/16/1002759716.db2.gz XCGIVDCLHVVQKF-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001425530173 1002771284 /nfs/dbraw/zinc/77/12/84/1002771284.db2.gz ZOIFEPGVRSHZGF-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN[C@@H]1CCN(C)C1=O)[NH+](CC)CC ZINC001420722898 1002856258 /nfs/dbraw/zinc/85/62/58/1002856258.db2.gz HCSMXEUYHDZYHW-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CN1C(=O)CN1CCCC1 ZINC001425617164 1002897655 /nfs/dbraw/zinc/89/76/55/1002897655.db2.gz XNHVDJWMJNTXPI-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCn1cccn1)N(C)C ZINC001425641368 1002921484 /nfs/dbraw/zinc/92/14/84/1002921484.db2.gz SCLRYVOFQOPFBX-HUUCEWRRSA-N 1 3 309.458 0.906 20 0 DCADHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH2+]CC(=O)NC ZINC001420808021 1002968322 /nfs/dbraw/zinc/96/83/22/1002968322.db2.gz UUXKUHVTXSVGHC-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN([C@@H]3CCCNC3=O)C2)CC1 ZINC001404078502 1002978944 /nfs/dbraw/zinc/97/89/44/1002978944.db2.gz YEPBXHAFJTWXRW-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CN1CCC(C)CC1 ZINC001405873988 1003160714 /nfs/dbraw/zinc/16/07/14/1003160714.db2.gz QDDDFYZUGVAMTP-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@H](C)C(=O)NC)CCCC1)N(C)C ZINC001405878519 1003166235 /nfs/dbraw/zinc/16/62/35/1003166235.db2.gz SPIHSKGXWAYOBE-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]1[C@@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)CC[NH+](C)C ZINC001425878406 1003212701 /nfs/dbraw/zinc/21/27/01/1003212701.db2.gz GJKWTUHYSBGNJD-YPMHNXCESA-N 1 3 320.441 0.713 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001425881510 1003216682 /nfs/dbraw/zinc/21/66/82/1003216682.db2.gz OTQHNPXVLUVLDL-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001405955487 1003220128 /nfs/dbraw/zinc/22/01/28/1003220128.db2.gz AIXQNMSJDARWCR-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H]1C ZINC001425907957 1003248277 /nfs/dbraw/zinc/24/82/77/1003248277.db2.gz YBTUMSXNPOLBOL-DZGCQCFKSA-N 1 3 324.469 0.526 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001421114267 1003332029 /nfs/dbraw/zinc/33/20/29/1003332029.db2.gz DVPMIPJMGQRTCJ-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001421121780 1003343095 /nfs/dbraw/zinc/34/30/95/1003343095.db2.gz RJAZWVZVRSKNSK-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](O)CCCN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001421151995 1003383375 /nfs/dbraw/zinc/38/33/75/1003383375.db2.gz MCKHZYUWNVRXRH-LZWOXQAQSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](O)CCCN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001421151995 1003383382 /nfs/dbraw/zinc/38/33/82/1003383382.db2.gz MCKHZYUWNVRXRH-LZWOXQAQSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001426126823 1003454310 /nfs/dbraw/zinc/45/43/10/1003454310.db2.gz RTRLTJCFGRSLNO-WLYUNCDWSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001426126823 1003454314 /nfs/dbraw/zinc/45/43/14/1003454314.db2.gz RTRLTJCFGRSLNO-WLYUNCDWSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001421273184 1003494828 /nfs/dbraw/zinc/49/48/28/1003494828.db2.gz WLVNCCCEEAEBOS-YOEHRIQHSA-N 1 3 324.469 0.386 20 0 DCADHO COCCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[C@H](C)O ZINC001426170324 1003634118 /nfs/dbraw/zinc/63/41/18/1003634118.db2.gz OYQOBAWAOIRHIS-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO COCCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[C@H](C)O ZINC001426170324 1003634121 /nfs/dbraw/zinc/63/41/21/1003634121.db2.gz OYQOBAWAOIRHIS-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001406378399 1003659693 /nfs/dbraw/zinc/65/96/93/1003659693.db2.gz JXYFMLCFFWCXIA-IUODEOHRSA-N 1 3 320.437 0.720 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001426242909 1003673996 /nfs/dbraw/zinc/67/39/96/1003673996.db2.gz DFTNYSKBXPRIDL-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001406482888 1003754645 /nfs/dbraw/zinc/75/46/45/1003754645.db2.gz QEXSQKJNXKRVCE-JSGCOSHPSA-N 1 3 314.474 0.582 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001406488519 1003760445 /nfs/dbraw/zinc/76/04/45/1003760445.db2.gz GIQCQHGPVLEYQT-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001406488519 1003760447 /nfs/dbraw/zinc/76/04/47/1003760447.db2.gz GIQCQHGPVLEYQT-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001428216835 1003768903 /nfs/dbraw/zinc/76/89/03/1003768903.db2.gz CZOXBWODOJCNIS-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001428231273 1003777265 /nfs/dbraw/zinc/77/72/65/1003777265.db2.gz ZDZFWBMLCQKFBK-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001428231273 1003777268 /nfs/dbraw/zinc/77/72/68/1003777268.db2.gz ZDZFWBMLCQKFBK-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C2CCC2)C1=O)NC(=O)CC[NH+](C)C ZINC001406517666 1003781890 /nfs/dbraw/zinc/78/18/90/1003781890.db2.gz YHNYAZQZVIVAHU-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406794317 1004102459 /nfs/dbraw/zinc/10/24/59/1004102459.db2.gz YRIDMGYBUXRQTC-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406794317 1004102461 /nfs/dbraw/zinc/10/24/61/1004102461.db2.gz YRIDMGYBUXRQTC-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC001426910488 1004120054 /nfs/dbraw/zinc/12/00/54/1004120054.db2.gz WITQBUMQUKHMSH-AWEZNQCLSA-N 1 3 316.490 0.966 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCCC1 ZINC001407101361 1004384057 /nfs/dbraw/zinc/38/40/57/1004384057.db2.gz YMPJRDCFIHHXLE-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001407110542 1004392547 /nfs/dbraw/zinc/39/25/47/1004392547.db2.gz UDUBWXPEKPBHMO-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCCC(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC001427549336 1004458667 /nfs/dbraw/zinc/45/86/67/1004458667.db2.gz QDIYGACTEXNTKT-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CN2CCC[C@@H]2C)CC[N@@H+]1C ZINC001429290247 1004510546 /nfs/dbraw/zinc/51/05/46/1004510546.db2.gz XZHJDTGZYXPGKR-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CN2CCC[C@@H]2C)CC[N@H+]1C ZINC001429290247 1004510556 /nfs/dbraw/zinc/51/05/56/1004510556.db2.gz XZHJDTGZYXPGKR-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NCCN(C)C(=O)C2CC[NH+](C)CC2)CCC1 ZINC001429308881 1004521241 /nfs/dbraw/zinc/52/12/41/1004521241.db2.gz UMWQPYLOXXOYQH-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@H](C)OC)CCOCC1)N(C)C ZINC001407308070 1004534078 /nfs/dbraw/zinc/53/40/78/1004534078.db2.gz PPYHYQJUTZKIGB-KBPBESRZSA-N 1 3 315.458 0.617 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001407336919 1004560901 /nfs/dbraw/zinc/56/09/01/1004560901.db2.gz VYYUVVXECORVIO-LBPRGKRZSA-N 1 3 307.385 0.394 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001427788005 1004609102 /nfs/dbraw/zinc/60/91/02/1004609102.db2.gz GDSNJNGLLZJWSD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001407622990 1004769287 /nfs/dbraw/zinc/76/92/87/1004769287.db2.gz DVWNEUHCYATPQC-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001407622990 1004769291 /nfs/dbraw/zinc/76/92/91/1004769291.db2.gz DVWNEUHCYATPQC-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCn2cccn2)CCC1)N(C)C ZINC001407785429 1004861560 /nfs/dbraw/zinc/86/15/60/1004861560.db2.gz MIMOROREKBTWLT-CQSZACIVSA-N 1 3 307.442 0.852 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001407818785 1004880863 /nfs/dbraw/zinc/88/08/63/1004880863.db2.gz GUKIIIROUGMUOV-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001407818785 1004880866 /nfs/dbraw/zinc/88/08/66/1004880866.db2.gz GUKIIIROUGMUOV-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001407951228 1004957613 /nfs/dbraw/zinc/95/76/13/1004957613.db2.gz XHDVTPYQAYVUQC-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cnn(C)c1 ZINC001408200080 1005104074 /nfs/dbraw/zinc/10/40/74/1005104074.db2.gz YNFWLSUTXJURDS-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO CC[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001408289759 1005143492 /nfs/dbraw/zinc/14/34/92/1005143492.db2.gz BZFNIOACUBOTKS-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO CC[N@H+](CC(N)=O)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001408289759 1005143494 /nfs/dbraw/zinc/14/34/94/1005143494.db2.gz BZFNIOACUBOTKS-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415191772 1005479110 /nfs/dbraw/zinc/47/91/10/1005479110.db2.gz SQLFIEKEVBVODD-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415191772 1005479112 /nfs/dbraw/zinc/47/91/12/1005479112.db2.gz SQLFIEKEVBVODD-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001415518977 1005552360 /nfs/dbraw/zinc/55/23/60/1005552360.db2.gz KKUPEKJELPERQC-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001415518977 1005552361 /nfs/dbraw/zinc/55/23/61/1005552361.db2.gz KKUPEKJELPERQC-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001416841511 1005745502 /nfs/dbraw/zinc/74/55/02/1005745502.db2.gz WHXTUIYPUITVCU-LLVKDONJSA-N 1 3 309.414 0.223 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001416841511 1005745503 /nfs/dbraw/zinc/74/55/03/1005745503.db2.gz WHXTUIYPUITVCU-LLVKDONJSA-N 1 3 309.414 0.223 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001417277858 1005815222 /nfs/dbraw/zinc/81/52/22/1005815222.db2.gz XWCQSWZPOZWQOX-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001417767507 1005886905 /nfs/dbraw/zinc/88/69/05/1005886905.db2.gz AXOAQAZZDGJLNK-KFWWJZLASA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001417787637 1005890881 /nfs/dbraw/zinc/89/08/81/1005890881.db2.gz XQTQEHFMRMCVTB-JHJVBQTASA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001417800310 1005893365 /nfs/dbraw/zinc/89/33/65/1005893365.db2.gz HLHBFUGUJBTUEO-KKUMJFAQSA-N 1 3 322.457 0.349 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001417798139 1005893394 /nfs/dbraw/zinc/89/33/94/1005893394.db2.gz LAXXKTGOJYGUQV-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001417992666 1005949816 /nfs/dbraw/zinc/94/98/16/1005949816.db2.gz GLWBQSWTRMXEKZ-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001438711398 1006055880 /nfs/dbraw/zinc/05/58/80/1006055880.db2.gz HISHRPUFUGHRQK-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO COc1cc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)on1 ZINC001438782167 1006114540 /nfs/dbraw/zinc/11/45/40/1006114540.db2.gz YXJDTZXXEZQWBG-JSGCOSHPSA-N 1 3 324.425 0.962 20 0 DCADHO CN(CC(=O)NC1CCC([NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001418190383 1006148697 /nfs/dbraw/zinc/14/86/97/1006148697.db2.gz FPBXGKARSVETEH-UHFFFAOYSA-N 1 3 312.458 0.467 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001436415549 1006171325 /nfs/dbraw/zinc/17/13/25/1006171325.db2.gz RWCZVNWBRQUHNH-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001418221932 1006196148 /nfs/dbraw/zinc/19/61/48/1006196148.db2.gz OPDWSLAHUOIGHI-GOEBONIOSA-N 1 3 321.469 0.930 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001418233000 1006214280 /nfs/dbraw/zinc/21/42/80/1006214280.db2.gz CASQMILOUUHQKU-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001418236592 1006221870 /nfs/dbraw/zinc/22/18/70/1006221870.db2.gz QMVKSOQXVNLETE-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001438922412 1006231237 /nfs/dbraw/zinc/23/12/37/1006231237.db2.gz VXNNPOLXVBJWBU-CZUORRHYSA-N 1 3 306.410 0.769 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001438922412 1006231243 /nfs/dbraw/zinc/23/12/43/1006231243.db2.gz VXNNPOLXVBJWBU-CZUORRHYSA-N 1 3 306.410 0.769 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001418299971 1006332880 /nfs/dbraw/zinc/33/28/80/1006332880.db2.gz PXKIAWHVIYONTE-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(CC)C2=O)C1 ZINC001418334973 1006395823 /nfs/dbraw/zinc/39/58/23/1006395823.db2.gz FCJOCPHWJYEHEV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(CC)C2=O)C1 ZINC001418334973 1006395832 /nfs/dbraw/zinc/39/58/32/1006395832.db2.gz FCJOCPHWJYEHEV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001439079869 1006444580 /nfs/dbraw/zinc/44/45/80/1006444580.db2.gz DTGKQNCMCILEKB-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439079869 1006444586 /nfs/dbraw/zinc/44/45/86/1006444586.db2.gz DTGKQNCMCILEKB-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001439111005 1006480624 /nfs/dbraw/zinc/48/06/24/1006480624.db2.gz OAYDBMPOXODUIY-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001439111005 1006480633 /nfs/dbraw/zinc/48/06/33/1006480633.db2.gz OAYDBMPOXODUIY-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CC(=O)Nc1ccon1 ZINC001418414999 1006490743 /nfs/dbraw/zinc/49/07/43/1006490743.db2.gz DNXZBKHJHQRXEA-VXGBXAGGSA-N 1 3 323.397 0.192 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001439159155 1006524575 /nfs/dbraw/zinc/52/45/75/1006524575.db2.gz OKDWSDLPLYIOON-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN[C@@H]2CCN(C)C2=O)CC1 ZINC001439164024 1006532393 /nfs/dbraw/zinc/53/23/93/1006532393.db2.gz OFHZJFFWVPCNMS-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(C)(C)C ZINC001437143538 1006639556 /nfs/dbraw/zinc/63/95/56/1006639556.db2.gz HEKDMGONVMPATJ-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439268835 1006644390 /nfs/dbraw/zinc/64/43/90/1006644390.db2.gz OMLCHPRESIZFDO-ZDUSSCGKSA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001437153958 1006645792 /nfs/dbraw/zinc/64/57/92/1006645792.db2.gz VNXCJEGFMLDQIA-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001437153958 1006645801 /nfs/dbraw/zinc/64/58/01/1006645801.db2.gz VNXCJEGFMLDQIA-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NCC1CCC1 ZINC001437205145 1006705104 /nfs/dbraw/zinc/70/51/04/1006705104.db2.gz LEOHXHNOVIRYSH-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N[C@H]2CCN(C)C2=O)CC1 ZINC001437236638 1006745488 /nfs/dbraw/zinc/74/54/88/1006745488.db2.gz RYPURVAPKJGEDW-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CCCC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001437335873 1006853476 /nfs/dbraw/zinc/85/34/76/1006853476.db2.gz ZYBGOHWPSCAWSQ-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001437379210 1006906193 /nfs/dbraw/zinc/90/61/93/1006906193.db2.gz HZIZYHQIRRPDMH-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2C[C@H]2CCCOC2)CC1 ZINC001439546943 1006988917 /nfs/dbraw/zinc/98/89/17/1006988917.db2.gz PEXUBIRIGHUNAK-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1)CC(C)(C)C ZINC001439720239 1007152071 /nfs/dbraw/zinc/15/20/71/1007152071.db2.gz HDKKEXFDPMAROR-KRWDZBQOSA-N 1 3 311.470 0.881 20 0 DCADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1)CC(C)(C)C ZINC001439720239 1007152074 /nfs/dbraw/zinc/15/20/74/1007152074.db2.gz HDKKEXFDPMAROR-KRWDZBQOSA-N 1 3 311.470 0.881 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439773710 1007188664 /nfs/dbraw/zinc/18/86/64/1007188664.db2.gz XBFOMTSWEMOLEA-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001439783543 1007194916 /nfs/dbraw/zinc/19/49/16/1007194916.db2.gz IBEYDLKDRDKYEE-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439783543 1007194932 /nfs/dbraw/zinc/19/49/32/1007194932.db2.gz IBEYDLKDRDKYEE-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CCCC1 ZINC001439818521 1007219318 /nfs/dbraw/zinc/21/93/18/1007219318.db2.gz LNUKCPZVFWKGIC-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(CCn2cncn2)C1 ZINC001439848911 1007250606 /nfs/dbraw/zinc/25/06/06/1007250606.db2.gz KQXLFFKBIHWZIU-OAHLLOKOSA-N 1 3 308.430 0.201 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(CCn2cncn2)C1 ZINC001439848911 1007250616 /nfs/dbraw/zinc/25/06/16/1007250616.db2.gz KQXLFFKBIHWZIU-OAHLLOKOSA-N 1 3 308.430 0.201 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001437857336 1007465947 /nfs/dbraw/zinc/46/59/47/1007465947.db2.gz PVACQQNXXHWNLK-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001440121623 1007502357 /nfs/dbraw/zinc/50/23/57/1007502357.db2.gz MQZWVJZONPFSCE-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO Cc1nnc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001440134981 1007515058 /nfs/dbraw/zinc/51/50/58/1007515058.db2.gz NOXZTKRCNUVLSU-AAEUAGOBSA-N 1 3 308.430 0.249 20 0 DCADHO Cn1cc(CN2CC[C@H](CCNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001437945703 1007522741 /nfs/dbraw/zinc/52/27/41/1007522741.db2.gz JIZAPRATNUCZHO-HOCLYGCPSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CN2CC[C@H](CCNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001437945703 1007522747 /nfs/dbraw/zinc/52/27/47/1007522747.db2.gz JIZAPRATNUCZHO-HOCLYGCPSA-N 1 3 319.453 0.700 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001437983748 1007559074 /nfs/dbraw/zinc/55/90/74/1007559074.db2.gz ALGFCOHSYLSAOJ-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001437998562 1007575574 /nfs/dbraw/zinc/57/55/74/1007575574.db2.gz IOGHDKNUWODNMC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001437998562 1007575589 /nfs/dbraw/zinc/57/55/89/1007575589.db2.gz IOGHDKNUWODNMC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(=O)NC)C1 ZINC001438003647 1007577622 /nfs/dbraw/zinc/57/76/22/1007577622.db2.gz WAKQPUIUMHOGDE-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(=O)NC)C1 ZINC001438003647 1007577628 /nfs/dbraw/zinc/57/76/28/1007577628.db2.gz WAKQPUIUMHOGDE-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001440218149 1007587268 /nfs/dbraw/zinc/58/72/68/1007587268.db2.gz ILJVWJLBMGQUCT-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001440303871 1007651857 /nfs/dbraw/zinc/65/18/57/1007651857.db2.gz HLHBFUGUJBTUEO-QLFBSQMISA-N 1 3 322.457 0.349 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC001438211828 1007707905 /nfs/dbraw/zinc/70/79/05/1007707905.db2.gz ZSLYMDWZFSJYAQ-IAGOWNOFSA-N 1 3 319.449 0.732 20 0 DCADHO CN(CCC[N@H+](C)CCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001440465665 1007800010 /nfs/dbraw/zinc/80/00/10/1007800010.db2.gz ZCNRKQLOMYDFTJ-MRXNPFEDSA-N 1 3 317.449 0.972 20 0 DCADHO CN(CCC[N@@H+](C)CCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001440465665 1007800020 /nfs/dbraw/zinc/80/00/20/1007800020.db2.gz ZCNRKQLOMYDFTJ-MRXNPFEDSA-N 1 3 317.449 0.972 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)NCC(=O)NC)C1 ZINC001438343154 1007839593 /nfs/dbraw/zinc/83/95/93/1007839593.db2.gz ZNDYNZSEBLPERY-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](CC)NCC(=O)NC)C1 ZINC001438343154 1007839600 /nfs/dbraw/zinc/83/96/00/1007839600.db2.gz ZNDYNZSEBLPERY-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cnnn1C ZINC001438351656 1007850960 /nfs/dbraw/zinc/85/09/60/1007850960.db2.gz WIONIMCTSGJAOZ-AWEZNQCLSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC ZINC001438374018 1007865736 /nfs/dbraw/zinc/86/57/36/1007865736.db2.gz QYGUQVBSHXSFDU-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC ZINC001438374018 1007865745 /nfs/dbraw/zinc/86/57/45/1007865745.db2.gz QYGUQVBSHXSFDU-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001440592283 1007904662 /nfs/dbraw/zinc/90/46/62/1007904662.db2.gz XHOIJBPRKAZCTM-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H]([NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1)C(N)=O ZINC001438609423 1008023640 /nfs/dbraw/zinc/02/36/40/1008023640.db2.gz BFMBNLKBCSYJGX-ZDUSSCGKSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001440804090 1008036990 /nfs/dbraw/zinc/03/69/90/1008036990.db2.gz XXAPIIITBGFEPI-OLZOCXBDSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001440841758 1008058953 /nfs/dbraw/zinc/05/89/53/1008058953.db2.gz PUNYAWMZWUUGMH-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+]CC(=O)NC)CCCCC1 ZINC001441106108 1008221075 /nfs/dbraw/zinc/22/10/75/1008221075.db2.gz LGUDLYJJIINAPM-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CCCC[C@H](CNCc1n[nH]c(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441131378 1008232853 /nfs/dbraw/zinc/23/28/53/1008232853.db2.gz IAROZQAAIDBGJU-UONOGXRCSA-N 1 3 322.457 0.829 20 0 DCADHO CCCC[C@H](CNCc1n[nH]c(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441131378 1008232854 /nfs/dbraw/zinc/23/28/54/1008232854.db2.gz IAROZQAAIDBGJU-UONOGXRCSA-N 1 3 322.457 0.829 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001441382107 1008340160 /nfs/dbraw/zinc/34/01/60/1008340160.db2.gz ALYZNKNVZNVJIZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001441382107 1008340163 /nfs/dbraw/zinc/34/01/63/1008340163.db2.gz ALYZNKNVZNVJIZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001441526701 1008391079 /nfs/dbraw/zinc/39/10/79/1008391079.db2.gz VLCHWGNXZYWBJR-BETUJISGSA-N 1 3 308.430 0.284 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001441526701 1008391080 /nfs/dbraw/zinc/39/10/80/1008391080.db2.gz VLCHWGNXZYWBJR-BETUJISGSA-N 1 3 308.430 0.284 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001441592612 1008416858 /nfs/dbraw/zinc/41/68/58/1008416858.db2.gz QIUJOOGMQDEYFT-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001441642310 1008434896 /nfs/dbraw/zinc/43/48/96/1008434896.db2.gz TVWLFJNYYNYLRR-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001441659655 1008444675 /nfs/dbraw/zinc/44/46/75/1008444675.db2.gz SCMIJOSWUPSSPN-CQSZACIVSA-N 1 3 314.474 0.630 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCCC1=O ZINC001421420317 1008558524 /nfs/dbraw/zinc/55/85/24/1008558524.db2.gz IHTCFNXWEJGGIZ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001421421313 1008559898 /nfs/dbraw/zinc/55/98/98/1008559898.db2.gz KDFMAFZHWPMWPB-OLZOCXBDSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H]([NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001421598884 1008774885 /nfs/dbraw/zinc/77/48/85/1008774885.db2.gz XLTFPESXUBWXLO-LLVKDONJSA-N 1 3 307.398 0.044 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(=O)NC)CC1 ZINC001421605368 1008785196 /nfs/dbraw/zinc/78/51/96/1008785196.db2.gz ZFBZSRLTAMDYQY-MGPQQGTHSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001442007793 1008794121 /nfs/dbraw/zinc/79/41/21/1008794121.db2.gz JZGINHPXHMAZDR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001442007793 1008794133 /nfs/dbraw/zinc/79/41/33/1008794133.db2.gz JZGINHPXHMAZDR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001442007790 1008796501 /nfs/dbraw/zinc/79/65/01/1008796501.db2.gz JZGINHPXHMAZDR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001442007790 1008796513 /nfs/dbraw/zinc/79/65/13/1008796513.db2.gz JZGINHPXHMAZDR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001421663499 1008890274 /nfs/dbraw/zinc/89/02/74/1008890274.db2.gz NPHJRBDGXPUFGO-KBUPBQIOSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001442067642 1008921018 /nfs/dbraw/zinc/92/10/18/1008921018.db2.gz PTUDYTNZSQRRRS-KGLIPLIRSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001442262972 1009144629 /nfs/dbraw/zinc/14/46/29/1009144629.db2.gz SFWBNNQECQDXMN-SSDMNJCBSA-N 1 3 312.458 0.240 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001422018987 1009406005 /nfs/dbraw/zinc/40/60/05/1009406005.db2.gz MAIYNVAQALCKKG-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001422030603 1009417231 /nfs/dbraw/zinc/41/72/31/1009417231.db2.gz CJWQOMZRNPBWPW-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001422030603 1009417237 /nfs/dbraw/zinc/41/72/37/1009417237.db2.gz CJWQOMZRNPBWPW-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001422048560 1009434599 /nfs/dbraw/zinc/43/45/99/1009434599.db2.gz WAPMVTGOIBJWOO-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001422072013 1009455701 /nfs/dbraw/zinc/45/57/01/1009455701.db2.gz ZLZRKKNVPMHWPK-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001422102016 1009489801 /nfs/dbraw/zinc/48/98/01/1009489801.db2.gz ZYCMACYVXHYCKZ-CQSZACIVSA-N 1 3 322.457 0.493 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001455261890 1009619076 /nfs/dbraw/zinc/61/90/76/1009619076.db2.gz YVXKOCDEAPAXRU-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001455261890 1009619085 /nfs/dbraw/zinc/61/90/85/1009619085.db2.gz YVXKOCDEAPAXRU-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001455318569 1009655240 /nfs/dbraw/zinc/65/52/40/1009655240.db2.gz DLBMTTWQLJRTBC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001455318569 1009655249 /nfs/dbraw/zinc/65/52/49/1009655249.db2.gz DLBMTTWQLJRTBC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001422281385 1009765332 /nfs/dbraw/zinc/76/53/32/1009765332.db2.gz RHHYSSIGOOYHMV-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1sccc1Cl ZINC001422351006 1009933136 /nfs/dbraw/zinc/93/31/36/1009933136.db2.gz VJVXBRJOOZKVTJ-SNVBAGLBSA-N 1 3 319.858 0.920 20 0 DCADHO CCn1nncc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001434523988 1010058519 /nfs/dbraw/zinc/05/85/19/1010058519.db2.gz UWZFDCZLSFPMIP-OAHLLOKOSA-N 1 3 306.458 0.898 20 0 DCADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001443096053 1010137494 /nfs/dbraw/zinc/13/74/94/1010137494.db2.gz FLWKCHIODZRDMV-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001443126209 1010160284 /nfs/dbraw/zinc/16/02/84/1010160284.db2.gz YOCXKCMGPIMMQP-LBPRGKRZSA-N 1 3 321.425 0.305 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001456321909 1010194783 /nfs/dbraw/zinc/19/47/83/1010194783.db2.gz HVVBHBCCOZSMGS-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001456321909 1010194787 /nfs/dbraw/zinc/19/47/87/1010194787.db2.gz HVVBHBCCOZSMGS-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001422506611 1010200644 /nfs/dbraw/zinc/20/06/44/1010200644.db2.gz UBSMKFDOWJAYRQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001422506611 1010200651 /nfs/dbraw/zinc/20/06/51/1010200651.db2.gz UBSMKFDOWJAYRQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N[C@@H](C)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001422508278 1010204406 /nfs/dbraw/zinc/20/44/06/1010204406.db2.gz BCZBHEMPFSWVTJ-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(CC(=O)NC)C1 ZINC001443241186 1010256307 /nfs/dbraw/zinc/25/63/07/1010256307.db2.gz BUOJXQVNCFUDOE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CCN(CC(=O)NC)C1 ZINC001443241186 1010256315 /nfs/dbraw/zinc/25/63/15/1010256315.db2.gz BUOJXQVNCFUDOE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001423038025 1010830312 /nfs/dbraw/zinc/83/03/12/1010830312.db2.gz CLWZJGIDTFSAGR-WFASDCNBSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001423038025 1010830319 /nfs/dbraw/zinc/83/03/19/1010830319.db2.gz CLWZJGIDTFSAGR-WFASDCNBSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)N[C@@H](C)C(N)=O ZINC001423047441 1010837183 /nfs/dbraw/zinc/83/71/83/1010837183.db2.gz GWKXOKDPEZBQAU-STQMWFEESA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001423073071 1010862593 /nfs/dbraw/zinc/86/25/93/1010862593.db2.gz KUZCMYHLISSVOJ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001423075747 1010867363 /nfs/dbraw/zinc/86/73/63/1010867363.db2.gz MCLWPHXEMGKFLT-SWLSCSKDSA-N 1 3 324.473 0.672 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H]1CCCN(C)C1=O ZINC001423110110 1010896298 /nfs/dbraw/zinc/89/62/98/1010896298.db2.gz QFPUHQFKZMVCPV-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)NCCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001444224853 1010912324 /nfs/dbraw/zinc/91/23/24/1010912324.db2.gz NALUUFPUSVJBPK-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N(C)C ZINC001423133758 1010915188 /nfs/dbraw/zinc/91/51/88/1010915188.db2.gz RSVQTXLXSZMYMO-ZDUSSCGKSA-N 1 3 314.474 0.489 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N(C)C ZINC001423133752 1010915430 /nfs/dbraw/zinc/91/54/30/1010915430.db2.gz RSVQTXLXSZMYMO-CYBMUJFWSA-N 1 3 314.474 0.489 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001444395518 1010998118 /nfs/dbraw/zinc/99/81/18/1010998118.db2.gz QEBGNAXBFXYIBL-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(N[C@@H](CC)C(N)=O)CC2)C1 ZINC001423252848 1011018255 /nfs/dbraw/zinc/01/82/55/1011018255.db2.gz UFQHVFFVQBJTJC-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(N[C@@H](CC)C(N)=O)CC2)C1 ZINC001423252848 1011018260 /nfs/dbraw/zinc/01/82/60/1011018260.db2.gz UFQHVFFVQBJTJC-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001444504004 1011044754 /nfs/dbraw/zinc/04/47/54/1011044754.db2.gz WDKIDWOJFIAOOY-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001423295615 1011056690 /nfs/dbraw/zinc/05/66/90/1011056690.db2.gz XREQGFAZDQGTKX-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001423319030 1011072965 /nfs/dbraw/zinc/07/29/65/1011072965.db2.gz DHHRZKSURKAGBZ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444695786 1011135128 /nfs/dbraw/zinc/13/51/28/1011135128.db2.gz ODSVNUPINIMVAT-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001444710980 1011142816 /nfs/dbraw/zinc/14/28/16/1011142816.db2.gz QFAANQWSFUBDBF-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001444710980 1011142821 /nfs/dbraw/zinc/14/28/21/1011142821.db2.gz QFAANQWSFUBDBF-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001423489166 1011182993 /nfs/dbraw/zinc/18/29/93/1011182993.db2.gz CSIXIIHHAOSBGC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001456520268 1011321264 /nfs/dbraw/zinc/32/12/64/1011321264.db2.gz FUPBTMZABQXWEI-CABCVRRESA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001456520268 1011321278 /nfs/dbraw/zinc/32/12/78/1011321278.db2.gz FUPBTMZABQXWEI-CABCVRRESA-N 1 3 324.469 0.099 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001423623981 1011360221 /nfs/dbraw/zinc/36/02/21/1011360221.db2.gz PSYZOGHZOXGPDH-AWEZNQCLSA-N 1 3 324.473 0.777 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN(C)CCc1ccnn1C)[NH+](C)C ZINC001445063921 1011369191 /nfs/dbraw/zinc/36/91/91/1011369191.db2.gz HDQAGCQEJDLLSV-INIZCTEOSA-N 1 3 323.485 0.939 20 0 DCADHO Cn1nncc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001423640730 1011382263 /nfs/dbraw/zinc/38/22/63/1011382263.db2.gz VPBATLHPHUWESF-ZBFHGGJFSA-N 1 3 320.441 0.238 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001533534487 1011438910 /nfs/dbraw/zinc/43/89/10/1011438910.db2.gz AFRGRFZWQKWLIP-NFAHFFEMSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001533534487 1011438915 /nfs/dbraw/zinc/43/89/15/1011438915.db2.gz AFRGRFZWQKWLIP-NFAHFFEMSA-N 1 3 324.469 0.457 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001445267598 1011597258 /nfs/dbraw/zinc/59/72/58/1011597258.db2.gz AYTWVRNTUMGFBX-ZBFHGGJFSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001445267598 1011597273 /nfs/dbraw/zinc/59/72/73/1011597273.db2.gz AYTWVRNTUMGFBX-ZBFHGGJFSA-N 1 3 320.437 0.299 20 0 DCADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001445319788 1011652142 /nfs/dbraw/zinc/65/21/42/1011652142.db2.gz RPUXKKCZIKPPDM-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001431875812 1011739822 /nfs/dbraw/zinc/73/98/22/1011739822.db2.gz PZXJUIQDHORZFO-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431875812 1011739840 /nfs/dbraw/zinc/73/98/40/1011739840.db2.gz PZXJUIQDHORZFO-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001423952058 1011769511 /nfs/dbraw/zinc/76/95/11/1011769511.db2.gz XCUTWROYDVNVOZ-KBPBESRZSA-N 1 3 312.458 0.147 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCCN(C)C1=O ZINC001445484114 1011814722 /nfs/dbraw/zinc/81/47/22/1011814722.db2.gz UCXVHKUIQFQJOA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCCN(C)C1=O ZINC001445484114 1011814734 /nfs/dbraw/zinc/81/47/34/1011814734.db2.gz UCXVHKUIQFQJOA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445549857 1011911762 /nfs/dbraw/zinc/91/17/62/1011911762.db2.gz WRLWPQWTFDDNAH-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cnc([C@H]3CCCN3)nc2)CCO1 ZINC001553359229 1011915992 /nfs/dbraw/zinc/91/59/92/1011915992.db2.gz LGHGWPMVBOSHQM-UHTWSYAYSA-N 1 3 305.382 0.089 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001432074263 1011938877 /nfs/dbraw/zinc/93/88/77/1011938877.db2.gz OGPUUBNCTZUFCE-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001432074263 1011938892 /nfs/dbraw/zinc/93/88/92/1011938892.db2.gz OGPUUBNCTZUFCE-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC001553437187 1011975416 /nfs/dbraw/zinc/97/54/16/1011975416.db2.gz CXEXKGDVBXPGIQ-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@](C[NH3+])(C2CCOCC2)C1 ZINC001553441063 1011977714 /nfs/dbraw/zinc/97/77/14/1011977714.db2.gz ZKIFJMGOMWBEDG-NVXWUHKLSA-N 1 3 324.469 0.868 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)CC1 ZINC001553443516 1011977771 /nfs/dbraw/zinc/97/77/71/1011977771.db2.gz SILCFPMHDWBYRC-AWEZNQCLSA-N 1 3 310.442 0.620 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553444242 1011980705 /nfs/dbraw/zinc/98/07/05/1011980705.db2.gz KSOJHIFEZRERNA-DSJMHWKBSA-N 1 3 308.426 0.291 20 0 DCADHO [NH3+]C1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001553493967 1012026784 /nfs/dbraw/zinc/02/67/84/1012026784.db2.gz AURNUQTUFHMPDE-PFSRBDOWSA-N 1 3 310.442 0.497 20 0 DCADHO C[C@]1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CCC[NH2+]C1 ZINC001553498199 1012032858 /nfs/dbraw/zinc/03/28/58/1012032858.db2.gz RUQTWMMWCWQSEY-ZOBUZTSGSA-N 1 3 324.469 0.617 20 0 DCADHO C[N@@H+]1C[C@@]23CN(C(=O)NC[C@@H]4CNCCO4)C[C@]2(C1)CCCC3 ZINC001553501496 1012041578 /nfs/dbraw/zinc/04/15/78/1012041578.db2.gz GTCLLSYJSCQEBA-BHYGNILZSA-N 1 3 322.453 0.492 20 0 DCADHO C[N@H+]1C[C@@]23CN(C(=O)NC[C@@H]4CNCCO4)C[C@]2(C1)CCCC3 ZINC001553501496 1012041591 /nfs/dbraw/zinc/04/15/91/1012041591.db2.gz GTCLLSYJSCQEBA-BHYGNILZSA-N 1 3 322.453 0.492 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553505254 1012045820 /nfs/dbraw/zinc/04/58/20/1012045820.db2.gz SVLPAJDCLJTKEJ-BARDWOONSA-N 1 3 310.442 0.354 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553508981 1012051787 /nfs/dbraw/zinc/05/17/87/1012051787.db2.gz VXGUCDFTZORDPJ-QPSCCSFWSA-N 1 3 310.442 0.225 20 0 DCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553513626 1012059172 /nfs/dbraw/zinc/05/91/72/1012059172.db2.gz ZELWASOBWKASJV-QLFBSQMISA-N 1 3 322.453 0.369 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCC1)C1CCC1 ZINC001424188178 1012143260 /nfs/dbraw/zinc/14/32/60/1012143260.db2.gz XEMVCNXCFAKNGF-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001536526296 1012157413 /nfs/dbraw/zinc/15/74/13/1012157413.db2.gz BAKMFQZFZNZEGE-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001536526296 1012157419 /nfs/dbraw/zinc/15/74/19/1012157419.db2.gz BAKMFQZFZNZEGE-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC001432274245 1012244664 /nfs/dbraw/zinc/24/46/64/1012244664.db2.gz OMSHAANCQBFTHF-CABCVRRESA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC001432274245 1012244682 /nfs/dbraw/zinc/24/46/82/1012244682.db2.gz OMSHAANCQBFTHF-CABCVRRESA-N 1 3 324.469 0.526 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001432277968 1012247719 /nfs/dbraw/zinc/24/77/19/1012247719.db2.gz KEELLGPRCJXOIE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001432277968 1012247734 /nfs/dbraw/zinc/24/77/34/1012247734.db2.gz KEELLGPRCJXOIE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001424296850 1012323613 /nfs/dbraw/zinc/32/36/13/1012323613.db2.gz PHPQTDNNMFDKCI-ZFWWWQNUSA-N 1 3 314.474 0.487 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001432449818 1012499824 /nfs/dbraw/zinc/49/98/24/1012499824.db2.gz ZSIXVPLBMJSSOU-AWEZNQCLSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001459028707 1012532603 /nfs/dbraw/zinc/53/26/03/1012532603.db2.gz YOAYJCHBFBFHIF-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001459028707 1012532610 /nfs/dbraw/zinc/53/26/10/1012532610.db2.gz YOAYJCHBFBFHIF-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC001424532175 1012620844 /nfs/dbraw/zinc/62/08/44/1012620844.db2.gz OGCTXYAXGIHHBX-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC001424532175 1012620859 /nfs/dbraw/zinc/62/08/59/1012620859.db2.gz OGCTXYAXGIHHBX-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001424542379 1012631534 /nfs/dbraw/zinc/63/15/34/1012631534.db2.gz MNJYFROWQBBIBP-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001424542379 1012631544 /nfs/dbraw/zinc/63/15/44/1012631544.db2.gz MNJYFROWQBBIBP-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001424580246 1012673217 /nfs/dbraw/zinc/67/32/17/1012673217.db2.gz PTRXAAHJLBTHDF-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO Cc1ccccc1CN1CCCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001548548800 1012699081 /nfs/dbraw/zinc/69/90/81/1012699081.db2.gz RICUBYKPWQIFEX-MRXNPFEDSA-N 1 3 305.422 0.739 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCO2)c1ccccc1 ZINC001548550730 1012703683 /nfs/dbraw/zinc/70/36/83/1012703683.db2.gz WZEBAKFKINXUCX-INMHGKMJSA-N 1 3 303.406 0.784 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)C[N@@H+]2C1 ZINC001548704655 1013002297 /nfs/dbraw/zinc/00/22/97/1013002297.db2.gz DOELZXBZRIALNM-JSRQGNBESA-N 1 3 321.465 0.774 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)C[N@H+]2C1 ZINC001548704655 1013002314 /nfs/dbraw/zinc/00/23/14/1013002314.db2.gz DOELZXBZRIALNM-JSRQGNBESA-N 1 3 321.465 0.774 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001509858055 1017452973 /nfs/dbraw/zinc/45/29/73/1017452973.db2.gz UQPKXKDJQIIZJC-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001509858055 1017452982 /nfs/dbraw/zinc/45/29/82/1017452982.db2.gz UQPKXKDJQIIZJC-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001506824915 1017588645 /nfs/dbraw/zinc/58/86/45/1017588645.db2.gz GOFGQNKEGZWWOL-ZQDZILKHSA-N 1 3 324.469 0.099 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001506824915 1017588653 /nfs/dbraw/zinc/58/86/53/1017588653.db2.gz GOFGQNKEGZWWOL-ZQDZILKHSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001506899677 1017652475 /nfs/dbraw/zinc/65/24/75/1017652475.db2.gz YYDXMAWHPAFRCO-ZQDZILKHSA-N 1 3 324.469 0.608 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479832465 1017843556 /nfs/dbraw/zinc/84/35/56/1017843556.db2.gz XDXCVCSDJQDMFA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001499351749 1017876986 /nfs/dbraw/zinc/87/69/86/1017876986.db2.gz FVKZHOSYGNZBAZ-MRXNPFEDSA-N 1 3 315.433 0.820 20 0 DCADHO CC(C)N(C)CC(=O)NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001494632290 1017886623 /nfs/dbraw/zinc/88/66/23/1017886623.db2.gz HSFAUCSVUWSZPR-NVXWUHKLSA-N 1 3 309.454 0.801 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001499602492 1017992108 /nfs/dbraw/zinc/99/21/08/1017992108.db2.gz JMSSNHACKBAROV-HOCLYGCPSA-N 1 3 315.433 0.583 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001499602492 1017992120 /nfs/dbraw/zinc/99/21/20/1017992120.db2.gz JMSSNHACKBAROV-HOCLYGCPSA-N 1 3 315.433 0.583 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)CCC[NH+](C)C)n[nH]1 ZINC001499921885 1018137607 /nfs/dbraw/zinc/13/76/07/1018137607.db2.gz YGEJZJWREVQILQ-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001494994197 1018216335 /nfs/dbraw/zinc/21/63/35/1018216335.db2.gz IFJNJLFNVWYMQF-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001494993901 1018217209 /nfs/dbraw/zinc/21/72/09/1018217209.db2.gz FNELNCCQVLGPED-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cnn(C)c1 ZINC001495002284 1018230044 /nfs/dbraw/zinc/23/00/44/1018230044.db2.gz KGYQNBYRQVWDPU-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480204617 1018313524 /nfs/dbraw/zinc/31/35/24/1018313524.db2.gz ORDWDLPNJFQVPH-MELADBBJSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001480301451 1018413539 /nfs/dbraw/zinc/41/35/39/1018413539.db2.gz XCGWVUKWDFVNQN-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001497817911 1018443350 /nfs/dbraw/zinc/44/33/50/1018443350.db2.gz LVGUHNQXHLYGTQ-JHJVBQTASA-N 1 3 322.457 0.863 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001497817911 1018443361 /nfs/dbraw/zinc/44/33/61/1018443361.db2.gz LVGUHNQXHLYGTQ-JHJVBQTASA-N 1 3 322.457 0.863 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001497829930 1018456402 /nfs/dbraw/zinc/45/64/02/1018456402.db2.gz VHVOGLQKAPHBAY-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001500677722 1018567406 /nfs/dbraw/zinc/56/74/06/1018567406.db2.gz PNBVFQQEWAHZIG-WBVHZDCISA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001500677722 1018567416 /nfs/dbraw/zinc/56/74/16/1018567416.db2.gz PNBVFQQEWAHZIG-WBVHZDCISA-N 1 3 309.454 0.822 20 0 DCADHO CC[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001500766450 1018643530 /nfs/dbraw/zinc/64/35/30/1018643530.db2.gz NUTGHGCGIZZPNC-KRWDZBQOSA-N 1 3 305.422 0.935 20 0 DCADHO CC[N@H+]1CC[C@](O)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001500766450 1018643536 /nfs/dbraw/zinc/64/35/36/1018643536.db2.gz NUTGHGCGIZZPNC-KRWDZBQOSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498098674 1018650953 /nfs/dbraw/zinc/65/09/53/1018650953.db2.gz LCKJYVHJGNGKLH-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498098674 1018650958 /nfs/dbraw/zinc/65/09/58/1018650958.db2.gz LCKJYVHJGNGKLH-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001498161799 1018703300 /nfs/dbraw/zinc/70/33/00/1018703300.db2.gz XSFSSOWLDIQFBP-WCQYABFASA-N 1 3 315.849 0.971 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001498172077 1018714098 /nfs/dbraw/zinc/71/40/98/1018714098.db2.gz FXDWAHWADFGKIS-NSHDSACASA-N 1 3 304.398 0.331 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)NC1CC1 ZINC001480664806 1018756724 /nfs/dbraw/zinc/75/67/24/1018756724.db2.gz DCOLKGSJMXOWLG-NWDGAFQWSA-N 1 3 319.409 0.057 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCC2(NCC(N)=O)CCCC2)CC1 ZINC001495962386 1018912668 /nfs/dbraw/zinc/91/26/68/1018912668.db2.gz VYCVTMYSAQPDQM-UHFFFAOYSA-N 1 3 324.469 0.611 20 0 DCADHO COc1cc(CN[C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)on1 ZINC001480802959 1018928241 /nfs/dbraw/zinc/92/82/41/1018928241.db2.gz GKIOOARBKPTPEQ-GFCCVEGCSA-N 1 3 322.409 0.763 20 0 DCADHO C[C@H](CN(C)C[C@H]1CCc2ncnn21)NC(=O)CCC[NH+](C)C ZINC001498370673 1019016710 /nfs/dbraw/zinc/01/67/10/1019016710.db2.gz YFBUYMBNVBJLCZ-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CCn1cc(CC[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)cn1 ZINC001496230545 1019179616 /nfs/dbraw/zinc/17/96/16/1019179616.db2.gz YCBAWODUNZEYMC-OAHLLOKOSA-N 1 3 321.469 0.978 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001493257550 1019261608 /nfs/dbraw/zinc/26/16/08/1019261608.db2.gz UZINIQJCCWTWCM-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001493257550 1019261625 /nfs/dbraw/zinc/26/16/25/1019261625.db2.gz UZINIQJCCWTWCM-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498786678 1019427172 /nfs/dbraw/zinc/42/71/72/1019427172.db2.gz RVIBFAKOFADLAR-OCCSQVGLSA-N 1 3 322.453 0.234 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)CC1 ZINC001498818324 1019448518 /nfs/dbraw/zinc/44/85/18/1019448518.db2.gz PFELKKLSOBHULR-OAHLLOKOSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001498872248 1019493480 /nfs/dbraw/zinc/49/34/80/1019493480.db2.gz FNROQGXYVDZFQS-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1CC1 ZINC001498877324 1019495173 /nfs/dbraw/zinc/49/51/73/1019495173.db2.gz UNOKBUBBGRUKTJ-TZMCWYRMSA-N 1 3 312.458 0.288 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001493570893 1019527637 /nfs/dbraw/zinc/52/76/37/1019527637.db2.gz RJGQVOGDCXZKJU-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001493570893 1019527658 /nfs/dbraw/zinc/52/76/58/1019527658.db2.gz RJGQVOGDCXZKJU-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)CN(C)C1CCC1 ZINC001493580458 1019537012 /nfs/dbraw/zinc/53/70/12/1019537012.db2.gz RYPFFJZNZNFLPR-RHSMWYFYSA-N 1 3 309.454 0.945 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001493696653 1019640728 /nfs/dbraw/zinc/64/07/28/1019640728.db2.gz YXRGECUNRDSLHE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001493696653 1019640735 /nfs/dbraw/zinc/64/07/35/1019640735.db2.gz YXRGECUNRDSLHE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001493699749 1019644368 /nfs/dbraw/zinc/64/43/68/1019644368.db2.gz DIIRBMPFAXZRED-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001494062296 1019957629 /nfs/dbraw/zinc/95/76/29/1019957629.db2.gz WSEWVRRUULBGHT-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COC[C@@H]3CCCO3)CC[C@@H]21 ZINC000162815212 291245423 /nfs/dbraw/zinc/24/54/23/291245423.db2.gz JHVQBKZLYOSPBI-QZWWFDLISA-N 1 3 312.454 0.959 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COC[C@@H]3CCCO3)CC[C@@H]21 ZINC000162815212 291245425 /nfs/dbraw/zinc/24/54/25/291245425.db2.gz JHVQBKZLYOSPBI-QZWWFDLISA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COC[C@@H]3CCCO3)CC[C@@H]21 ZINC000162815212 291245426 /nfs/dbraw/zinc/24/54/26/291245426.db2.gz JHVQBKZLYOSPBI-QZWWFDLISA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)CC[C@@H]21 ZINC000162815212 291245427 /nfs/dbraw/zinc/24/54/27/291245427.db2.gz JHVQBKZLYOSPBI-QZWWFDLISA-N 1 3 312.454 0.959 20 0 DCADHO CCN(CC[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000566117646 291271682 /nfs/dbraw/zinc/27/16/82/291271682.db2.gz PGUYMXDLBRKTPF-JYJNAYRXSA-N 1 3 301.475 0.776 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000566228074 291284378 /nfs/dbraw/zinc/28/43/78/291284378.db2.gz VFBRJQCDLPPNIF-CHWSQXEVSA-N 1 3 320.437 0.971 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410442410 239279025 /nfs/dbraw/zinc/27/90/25/239279025.db2.gz ZWGBFTOWDGPFSA-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000275486373 212365642 /nfs/dbraw/zinc/36/56/42/212365642.db2.gz ASPKCNQGIJXBEF-UHFFFAOYSA-N 1 3 320.437 0.797 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCN1CCCCCC1 ZINC000566853159 291326030 /nfs/dbraw/zinc/32/60/30/291326030.db2.gz YTYVAQISOCHTCF-CQSZACIVSA-N 1 3 310.442 0.237 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000420028970 240011300 /nfs/dbraw/zinc/01/13/00/240011300.db2.gz NCIAUDHESWLUDE-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000567384206 291353100 /nfs/dbraw/zinc/35/31/00/291353100.db2.gz ZYSLMXHBSUINRE-HNNXBMFYSA-N 1 3 307.438 0.984 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000457784098 241036103 /nfs/dbraw/zinc/03/61/03/241036103.db2.gz GSQJXGXRYWADNA-HUUCEWRRSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000457784098 241036110 /nfs/dbraw/zinc/03/61/10/241036110.db2.gz GSQJXGXRYWADNA-HUUCEWRRSA-N 1 3 324.469 0.617 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1CCC1 ZINC000567583579 291362358 /nfs/dbraw/zinc/36/23/58/291362358.db2.gz NNQHMJAVUZBDRH-UHFFFAOYSA-N 1 3 312.458 0.197 20 0 DCADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H](N2CCCC2)C1 ZINC000567653474 291366812 /nfs/dbraw/zinc/36/68/12/291366812.db2.gz BRMFSNVXPIVLTN-ILXRZTDVSA-N 1 3 320.437 0.036 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000567736074 291374045 /nfs/dbraw/zinc/37/40/45/291374045.db2.gz GEUVJDKBHQQIEO-SJORKVTESA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567897277 291388933 /nfs/dbraw/zinc/38/89/33/291388933.db2.gz SLVJRFSHQSQDLV-QMTHXVAHSA-N 1 3 307.402 0.060 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000569226409 291467551 /nfs/dbraw/zinc/46/75/51/291467551.db2.gz SQKQFGBJDLQOKH-GUYCJALGSA-N 1 3 315.421 0.772 20 0 DCADHO COC[C@@]1(CNC(=O)[C@H]2CNCc3ccccc32)CCC[NH2+]1 ZINC000573486233 291635442 /nfs/dbraw/zinc/63/54/42/291635442.db2.gz HFUPSNGBDUZPQW-RDJZCZTQSA-N 1 3 303.406 0.758 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105233545 194087438 /nfs/dbraw/zinc/08/74/38/194087438.db2.gz IGEUTYZEMUOAHH-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105233545 194087440 /nfs/dbraw/zinc/08/74/40/194087440.db2.gz IGEUTYZEMUOAHH-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000347048904 285058505 /nfs/dbraw/zinc/05/85/05/285058505.db2.gz RNBWWEJJCBTWJP-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000347048904 285058508 /nfs/dbraw/zinc/05/85/08/285058508.db2.gz RNBWWEJJCBTWJP-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000339574639 253107733 /nfs/dbraw/zinc/10/77/33/253107733.db2.gz AQBWAPLGDRXISJ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339633454 253117596 /nfs/dbraw/zinc/11/75/96/253117596.db2.gz QNWOCONKHOQHNB-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339633454 253117598 /nfs/dbraw/zinc/11/75/98/253117598.db2.gz QNWOCONKHOQHNB-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000339636979 253119257 /nfs/dbraw/zinc/11/92/57/253119257.db2.gz BWNZYWJMRWBWES-ZDUSSCGKSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CCNC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000339751260 253137465 /nfs/dbraw/zinc/13/74/65/253137465.db2.gz KEQQPACVLILCAA-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO COCC[N@H+](C)CCCC1CCN([C@H]2COC[C@H]2O)CC1 ZINC000340286298 253231111 /nfs/dbraw/zinc/23/11/11/253231111.db2.gz HMNKNXLQQPBFNF-JKSUJKDBSA-N 1 3 300.443 0.817 20 0 DCADHO COCC[N@@H+](C)CCCC1CCN([C@H]2COC[C@H]2O)CC1 ZINC000340286298 253231113 /nfs/dbraw/zinc/23/11/13/253231113.db2.gz HMNKNXLQQPBFNF-JKSUJKDBSA-N 1 3 300.443 0.817 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340486804 253265288 /nfs/dbraw/zinc/26/52/88/253265288.db2.gz VCECLTZBHOXRQG-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340486804 253265290 /nfs/dbraw/zinc/26/52/90/253265290.db2.gz VCECLTZBHOXRQG-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CC1([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CCC1 ZINC000341468489 253384004 /nfs/dbraw/zinc/38/40/04/253384004.db2.gz RMEUWTHNFSZASD-UHFFFAOYSA-N 1 3 318.469 0.802 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000346025138 254000447 /nfs/dbraw/zinc/00/04/47/254000447.db2.gz AAQAABUZLWLLGA-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000346025138 254000448 /nfs/dbraw/zinc/00/04/48/254000448.db2.gz AAQAABUZLWLLGA-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000339644448 285187898 /nfs/dbraw/zinc/18/78/98/285187898.db2.gz OISQSKKWIGBCJY-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCOc1ccc(CNC(=O)CCOC2CNC2)cc1 ZINC000348995009 254268434 /nfs/dbraw/zinc/26/84/34/254268434.db2.gz UYGZZKIKUOOKBO-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)CCOC2C[NH2+]C2)cc1 ZINC000348995009 254268436 /nfs/dbraw/zinc/26/84/36/254268436.db2.gz UYGZZKIKUOOKBO-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000349902496 254303240 /nfs/dbraw/zinc/30/32/40/254303240.db2.gz AMRCHSZQJZYLSE-HNNXBMFYSA-N 1 3 314.474 0.936 20 0 DCADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]12 ZINC000351496389 254339694 /nfs/dbraw/zinc/33/96/94/254339694.db2.gz RMQHVRXRMLBLCX-KXUCPTDWSA-N 1 3 322.331 0.434 20 0 DCADHO CCC[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCN1CCOC ZINC000351719760 254362069 /nfs/dbraw/zinc/36/20/69/254362069.db2.gz SPNIKDMXWNXZPJ-IAGOWNOFSA-N 1 3 313.486 0.874 20 0 DCADHO CCC[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CCN1CCOC ZINC000351719760 254362070 /nfs/dbraw/zinc/36/20/70/254362070.db2.gz SPNIKDMXWNXZPJ-IAGOWNOFSA-N 1 3 313.486 0.874 20 0 DCADHO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000271562198 209016497 /nfs/dbraw/zinc/01/64/97/209016497.db2.gz XVNPMEJTERPTPA-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO CN(C)CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000118093559 395858858 /nfs/dbraw/zinc/85/88/58/395858858.db2.gz AMOCJMIMYXWILG-UHFFFAOYSA-N 1 3 322.409 0.243 20 0 DCADHO CN(C)CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000270664129 395794633 /nfs/dbraw/zinc/79/46/33/395794633.db2.gz POCZQDJFTMIBPK-UHFFFAOYSA-N 1 3 304.438 0.946 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194594196 395800714 /nfs/dbraw/zinc/80/07/14/395800714.db2.gz GZWIYFDVSWRONQ-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000237040522 395901585 /nfs/dbraw/zinc/90/15/85/395901585.db2.gz ARXOVCMKVTUCLQ-DZGCQCFKSA-N 1 3 312.458 0.372 20 0 DCADHO CNC(=O)[C@@H](C)CN(C)CC(C)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000246230659 395944491 /nfs/dbraw/zinc/94/44/91/395944491.db2.gz QIDMEEDFNDTCEK-KBPBESRZSA-N 1 3 314.474 0.250 20 0 DCADHO CNC(=O)[C@@H](C)CN(C)CC(C)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000246230659 395944493 /nfs/dbraw/zinc/94/44/93/395944493.db2.gz QIDMEEDFNDTCEK-KBPBESRZSA-N 1 3 314.474 0.250 20 0 DCADHO C[C@@H]1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000253237600 396025451 /nfs/dbraw/zinc/02/54/51/396025451.db2.gz PCHHZAUZXXWFLS-MCIONIFRSA-N 1 3 303.472 0.575 20 0 DCADHO C[C@@H](C(=O)N1CCCCC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261846007 396072069 /nfs/dbraw/zinc/07/20/69/396072069.db2.gz CZDOCMBGUHYTLJ-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CC1(C)NC(=O)N(CCN2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000261848050 396072121 /nfs/dbraw/zinc/07/21/21/396072121.db2.gz DDODWZUYDJKXSI-CYBMUJFWSA-N 1 3 308.426 0.781 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000261696159 396057721 /nfs/dbraw/zinc/05/77/21/396057721.db2.gz JNASVMVDRABUGD-CQSZACIVSA-N 1 3 319.405 0.745 20 0 DCADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000261984726 396087594 /nfs/dbraw/zinc/08/75/94/396087594.db2.gz PSJYWKOZFREYBM-GXTWGEPZSA-N 1 3 303.410 0.947 20 0 DCADHO C[C@]1(C[NH3+])CCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261867289 396074391 /nfs/dbraw/zinc/07/43/91/396074391.db2.gz SRJWOHFHBXCULU-LLVKDONJSA-N 1 3 310.320 0.435 20 0 DCADHO C[C@]1(CN)CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261867289 396074393 /nfs/dbraw/zinc/07/43/93/396074393.db2.gz SRJWOHFHBXCULU-LLVKDONJSA-N 1 3 310.320 0.435 20 0 DCADHO C[C@]1(CN)CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261867289 396074395 /nfs/dbraw/zinc/07/43/95/396074395.db2.gz SRJWOHFHBXCULU-LLVKDONJSA-N 1 3 310.320 0.435 20 0 DCADHO NC(=O)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261942612 396081963 /nfs/dbraw/zinc/08/19/63/396081963.db2.gz LSTSZMSMKZEXIL-AWEZNQCLSA-N 1 3 304.394 0.072 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000263228080 396206881 /nfs/dbraw/zinc/20/68/81/396206881.db2.gz HEBZPRLWJTTYNV-IPYPFGDCSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000263228080 396206884 /nfs/dbraw/zinc/20/68/84/396206884.db2.gz HEBZPRLWJTTYNV-IPYPFGDCSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000263234925 396207682 /nfs/dbraw/zinc/20/76/82/396207682.db2.gz JDOMVVVBBAWRQX-HIFRSBDPSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000263234925 396207686 /nfs/dbraw/zinc/20/76/86/396207686.db2.gz JDOMVVVBBAWRQX-HIFRSBDPSA-N 1 3 312.458 0.467 20 0 DCADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN(CC2CC2)CC1 ZINC000279032366 396148058 /nfs/dbraw/zinc/14/80/58/396148058.db2.gz PRTXUKVEYTVMHN-ZDUSSCGKSA-N 1 3 303.410 0.654 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH2+]CC2)CC1=O ZINC000262503826 396148649 /nfs/dbraw/zinc/14/86/49/396148649.db2.gz IYHBYLMODVGOQB-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074186472 396160002 /nfs/dbraw/zinc/16/00/02/396160002.db2.gz PXSJHJQHCCODFM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO COCCN(C)CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262696339 396173563 /nfs/dbraw/zinc/17/35/63/396173563.db2.gz BDUGKAAHYNVLLK-AWEZNQCLSA-N 1 3 323.441 0.506 20 0 DCADHO C[C@@H](NCCCS(N)(=O)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710060 396333047 /nfs/dbraw/zinc/33/30/47/396333047.db2.gz UOTAKGXKGOIWAY-CHWSQXEVSA-N 1 3 303.472 0.908 20 0 DCADHO C[C@@H](NCCCS(N)(=O)=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710060 396333050 /nfs/dbraw/zinc/33/30/50/396333050.db2.gz UOTAKGXKGOIWAY-CHWSQXEVSA-N 1 3 303.472 0.908 20 0 DCADHO C[C@@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185710060 396333053 /nfs/dbraw/zinc/33/30/53/396333053.db2.gz UOTAKGXKGOIWAY-CHWSQXEVSA-N 1 3 303.472 0.908 20 0 DCADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)CC1 ZINC000269284456 396403839 /nfs/dbraw/zinc/40/38/39/396403839.db2.gz HJZRNPPBSFGBEQ-JKSUJKDBSA-N 1 3 318.421 0.490 20 0 DCADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)CC1 ZINC000269284456 396403840 /nfs/dbraw/zinc/40/38/40/396403840.db2.gz HJZRNPPBSFGBEQ-JKSUJKDBSA-N 1 3 318.421 0.490 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000515482615 396506021 /nfs/dbraw/zinc/50/60/21/396506021.db2.gz BURKTSWQMKKTJF-CYBMUJFWSA-N 1 3 319.413 0.102 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372439094 396517720 /nfs/dbraw/zinc/51/77/20/396517720.db2.gz JTVMPLWKQWPZPA-INMHGKMJSA-N 1 3 308.470 0.376 20 0 DCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]([NH3+])CC3CCCCC3)CCN2C1=O ZINC000594878115 396534090 /nfs/dbraw/zinc/53/40/90/396534090.db2.gz MWINLDMLTFMDIV-MGPQQGTHSA-N 1 3 308.426 0.055 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000581378885 396550408 /nfs/dbraw/zinc/55/04/08/396550408.db2.gz WNUNASKREDSKRB-DZGCQCFKSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccn(CCN(C)C)n1 ZINC000581378885 396550411 /nfs/dbraw/zinc/55/04/11/396550411.db2.gz WNUNASKREDSKRB-DZGCQCFKSA-N 1 3 307.442 0.857 20 0 DCADHO COCC1(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC[NH2+]CC1 ZINC000581478066 396557623 /nfs/dbraw/zinc/55/76/23/396557623.db2.gz ANIURRVKHKARFQ-KBPBESRZSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000581732548 396580638 /nfs/dbraw/zinc/58/06/38/396580638.db2.gz YHOZSCYHOSFGAL-CQSZACIVSA-N 1 3 324.469 0.422 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000582418455 396609254 /nfs/dbraw/zinc/60/92/54/396609254.db2.gz YQFUKMAQWQWNSR-AWEZNQCLSA-N 1 3 311.426 0.505 20 0 DCADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Cn1cccn1 ZINC000584834658 396627408 /nfs/dbraw/zinc/62/74/08/396627408.db2.gz UUKNPGPZPMHTRQ-PMPSAXMXSA-N 1 3 308.426 0.211 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000595990787 396704550 /nfs/dbraw/zinc/70/45/50/396704550.db2.gz RTBYSAURIFBVFX-STQMWFEESA-N 1 3 305.426 0.933 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000563162093 396710437 /nfs/dbraw/zinc/71/04/37/396710437.db2.gz XKXPVARSSCVBFS-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629531992 396778256 /nfs/dbraw/zinc/77/82/56/396778256.db2.gz HNFRQJDOFFXLGH-KBPBESRZSA-N 1 3 303.472 0.589 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629535289 396779513 /nfs/dbraw/zinc/77/95/13/396779513.db2.gz CQJBVMXVKQUWMB-MJBXVCDLSA-N 1 3 319.471 0.096 20 0 DCADHO COc1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000629555865 396784142 /nfs/dbraw/zinc/78/41/42/396784142.db2.gz AJIAUDGQEQEEFD-HNNXBMFYSA-N 1 3 321.421 0.471 20 0 DCADHO [NH3+]C[C@@H]1CN(CCC(=O)N2CCNCC2)CC[C@H]1C(F)(F)F ZINC000629559274 396786902 /nfs/dbraw/zinc/78/69/02/396786902.db2.gz APSGUHNTHHHXMI-VXGBXAGGSA-N 1 3 322.375 0.267 20 0 DCADHO Cc1cc(N2CCC(NC[C@@H](O)C[NH+]3CCCC3)CC2)n[nH]1 ZINC000629575124 396794218 /nfs/dbraw/zinc/79/42/18/396794218.db2.gz HXZPJSOCOJOAFT-OAHLLOKOSA-N 1 3 307.442 0.733 20 0 DCADHO C[C@@H]1CC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000563940924 396795573 /nfs/dbraw/zinc/79/55/73/396795573.db2.gz MTCXCZBCOBRDBT-ZIAGYGMSSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@H](Cn1cc(Br)cn1)NC[C@H](O)C[NH+](C)C ZINC000305131524 396738888 /nfs/dbraw/zinc/73/88/88/396738888.db2.gz NEFJUIWFTCIPIH-KOLCDFICSA-N 1 3 305.220 0.546 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000564645095 396851062 /nfs/dbraw/zinc/85/10/62/396851062.db2.gz ZHHJGOFFPVCDLP-HNNXBMFYSA-N 1 3 311.474 0.393 20 0 DCADHO C[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@H](N)c1ccccc1 ZINC000375958730 396851807 /nfs/dbraw/zinc/85/18/07/396851807.db2.gz RGGJYFHPGRXJIR-UAGQMJEPSA-N 1 3 316.449 0.829 20 0 DCADHO COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629584702 396801429 /nfs/dbraw/zinc/80/14/29/396801429.db2.gz WHHPLCFAAKIAEQ-HZPDHXFCSA-N 1 3 308.422 0.817 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000564212196 396817392 /nfs/dbraw/zinc/81/73/92/396817392.db2.gz XOCJMAMMOUFSKG-BFHYXJOUSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000564825155 396875790 /nfs/dbraw/zinc/87/57/90/396875790.db2.gz RXUUDTWSXZIRIE-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000333677815 396929399 /nfs/dbraw/zinc/92/93/99/396929399.db2.gz OIHDTOFYUOQTLA-GJZGRUSLSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340265680 396967744 /nfs/dbraw/zinc/96/77/44/396967744.db2.gz QDNHCJSYRBBIRN-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340265680 396967749 /nfs/dbraw/zinc/96/77/49/396967749.db2.gz QDNHCJSYRBBIRN-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305802 396952376 /nfs/dbraw/zinc/95/23/76/396952376.db2.gz HQTGVHQPDAYQBJ-KBPBESRZSA-N 1 3 312.458 0.338 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCCC[NH+](C)C ZINC000618306274 396953635 /nfs/dbraw/zinc/95/36/35/396953635.db2.gz WQOAVFIHKROWTM-UHFFFAOYSA-N 1 3 300.447 0.197 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000600998835 396986438 /nfs/dbraw/zinc/98/64/38/396986438.db2.gz DBVYCOCTVFUFJE-OAHLLOKOSA-N 1 3 322.453 0.237 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000571980592 397007734 /nfs/dbraw/zinc/00/77/34/397007734.db2.gz UKEIYYZLQNPKHZ-HZPDHXFCSA-N 1 3 301.475 0.732 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000571980592 397007740 /nfs/dbraw/zinc/00/77/40/397007740.db2.gz UKEIYYZLQNPKHZ-HZPDHXFCSA-N 1 3 301.475 0.732 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000347018130 397026061 /nfs/dbraw/zinc/02/60/61/397026061.db2.gz QMVAZRVKXWXMQT-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000347018130 397026070 /nfs/dbraw/zinc/02/60/70/397026070.db2.gz QMVAZRVKXWXMQT-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340479881 396970451 /nfs/dbraw/zinc/97/04/51/396970451.db2.gz VEYFVNHUVAXKHG-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340479881 396970454 /nfs/dbraw/zinc/97/04/54/396970454.db2.gz VEYFVNHUVAXKHG-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000377570472 397104682 /nfs/dbraw/zinc/10/46/82/397104682.db2.gz YXMUIZATYLYKDP-KRWDZBQOSA-N 1 3 316.449 0.868 20 0 DCADHO COCC[C@@H]([NH3+])Cc1cn(CCCN2CCSCC2)nn1 ZINC000630589372 397055175 /nfs/dbraw/zinc/05/51/75/397055175.db2.gz GUQYDHDCHMCNQZ-CYBMUJFWSA-N 1 3 313.471 0.623 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000377750168 397135233 /nfs/dbraw/zinc/13/52/33/397135233.db2.gz XFJLIIFSRAYJLU-QGZVFWFLSA-N 1 3 322.497 0.862 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCCN1C ZINC000352450501 397138131 /nfs/dbraw/zinc/13/81/31/397138131.db2.gz LPZRSUJZIKUCLI-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCCN1C ZINC000352450501 397138137 /nfs/dbraw/zinc/13/81/37/397138137.db2.gz LPZRSUJZIKUCLI-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)ccn1 ZINC000612896415 397157662 /nfs/dbraw/zinc/15/76/62/397157662.db2.gz RIZUFMULVFJLDQ-INIZCTEOSA-N 1 3 321.425 0.573 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CCCC1 ZINC000573467299 397171272 /nfs/dbraw/zinc/17/12/72/397171272.db2.gz SBSWVWYLRXTOSH-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)C[C@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592559347 397215650 /nfs/dbraw/zinc/21/56/50/397215650.db2.gz NVCPDJQUQQFPQH-QWHCGFSZSA-N 1 3 305.426 0.885 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620483984 397279377 /nfs/dbraw/zinc/27/93/77/397279377.db2.gz HBBYHLKIOOLBRU-CVEARBPZSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620483984 397279380 /nfs/dbraw/zinc/27/93/80/397279380.db2.gz HBBYHLKIOOLBRU-CVEARBPZSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C)[C@@H](CNC(=O)N(C)CCOCC[NH3+])c1ccccc1 ZINC000626919639 397287508 /nfs/dbraw/zinc/28/75/08/397287508.db2.gz IXXQBODBPIHCBY-HNNXBMFYSA-N 1 3 308.426 0.906 20 0 DCADHO CC(C)[NH2+]CCC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000574757357 397297351 /nfs/dbraw/zinc/29/73/51/397297351.db2.gz AVPHOMHIAJDEKH-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000578055109 397384092 /nfs/dbraw/zinc/38/40/92/397384092.db2.gz BVQQCGUWYHOAHG-KKUMJFAQSA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCOC[C@H]1CCCO1 ZINC000577753499 397359362 /nfs/dbraw/zinc/35/93/62/397359362.db2.gz KDIURDAYDIPEPM-HUUCEWRRSA-N 1 3 313.442 0.502 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000420330895 397386181 /nfs/dbraw/zinc/38/61/81/397386181.db2.gz IJZWDMFVNDFSTP-BBRMVZONSA-N 1 3 308.470 0.789 20 0 DCADHO COCCN(C)C[C@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000578374573 397429429 /nfs/dbraw/zinc/42/94/29/397429429.db2.gz AMLCRYQXNOTRBO-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO COCCN(C)C[C@H](O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000578374573 397429433 /nfs/dbraw/zinc/42/94/33/397429433.db2.gz AMLCRYQXNOTRBO-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000578440576 397436688 /nfs/dbraw/zinc/43/66/88/397436688.db2.gz AANUWBRMUQRSKM-IPYPFGDCSA-N 1 3 320.441 0.442 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)NCCOCCN(C)C)CC1 ZINC000471648948 397451578 /nfs/dbraw/zinc/45/15/78/397451578.db2.gz NJDUYXGBTOQLAY-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)C/C=C/C(=O)N[C@@H](CNC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491875001 397504708 /nfs/dbraw/zinc/50/47/08/397504708.db2.gz XKCVNXQCNZLFIM-GNEKEXIXSA-N 1 3 322.453 0.233 20 0 DCADHO CN(C)C/C=C\C(=O)NC[C@H](NC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000491875001 397504711 /nfs/dbraw/zinc/50/47/11/397504711.db2.gz XKCVNXQCNZLFIM-GNEKEXIXSA-N 1 3 322.453 0.233 20 0 DCADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H](C)C1 ZINC000579091182 397520867 /nfs/dbraw/zinc/52/08/67/397520867.db2.gz BQZVHTSSWKDWOH-XUWVNRHRSA-N 1 3 323.485 0.262 20 0 DCADHO CCN1CCN(CCNC(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000579115555 397525291 /nfs/dbraw/zinc/52/52/91/397525291.db2.gz PEWPSHYZTTWKTN-UHFFFAOYSA-N 1 3 318.465 0.816 20 0 DCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)NC(=O)NCC(F)(F)F ZINC000603435912 397611798 /nfs/dbraw/zinc/61/17/98/397611798.db2.gz ZZLDCNYNSXXDEX-HTQZYQBOSA-N 1 3 310.320 0.480 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606703252 397687045 /nfs/dbraw/zinc/68/70/45/397687045.db2.gz OQQHMDXXFLXWCC-CQSZACIVSA-N 1 3 314.474 0.936 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000333794426 286093476 /nfs/dbraw/zinc/09/34/76/286093476.db2.gz GSUWYLPYFORIDQ-KKUMJFAQSA-N 1 3 310.442 0.633 20 0 DCADHO c1cnc(N2CCN(CCNC[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000415092246 296633646 /nfs/dbraw/zinc/63/36/46/296633646.db2.gz SITYVGAGACWJMV-OAHLLOKOSA-N 1 3 304.442 0.188 20 0 DCADHO CC(=O)N(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050798698 158012184 /nfs/dbraw/zinc/01/21/84/158012184.db2.gz UPMZWUKMXWBPPT-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3CO)CC2)CC1 ZINC000118573492 158177319 /nfs/dbraw/zinc/17/73/19/158177319.db2.gz NUDZEBHMOTVGSR-INIZCTEOSA-N 1 3 324.469 0.711 20 0 DCADHO CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841891 158179225 /nfs/dbraw/zinc/17/92/25/158179225.db2.gz VWERBAWMSSTPHT-CYBMUJFWSA-N 1 3 310.442 0.981 20 0 DCADHO CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841891 158179226 /nfs/dbraw/zinc/17/92/26/158179226.db2.gz VWERBAWMSSTPHT-CYBMUJFWSA-N 1 3 310.442 0.981 20 0 DCADHO CCN1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000123826583 158234329 /nfs/dbraw/zinc/23/43/29/158234329.db2.gz YENLNJBKFJLBDJ-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128049997 158278364 /nfs/dbraw/zinc/27/83/64/158278364.db2.gz UPGJJMHKRXIKBD-LVQVYYBASA-N 1 3 310.486 0.892 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000129740714 158291318 /nfs/dbraw/zinc/29/13/18/158291318.db2.gz LMOPZRQZIGJQIE-CQSZACIVSA-N 1 3 312.458 0.690 20 0 DCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000167214963 158367266 /nfs/dbraw/zinc/36/72/66/158367266.db2.gz ZYTHOVMMTCJEGJ-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)CC1=O ZINC000072826123 286912170 /nfs/dbraw/zinc/91/21/70/286912170.db2.gz VTTNMKAGAKABED-ZDUSSCGKSA-N 1 3 312.458 0.101 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000246537256 287085191 /nfs/dbraw/zinc/08/51/91/287085191.db2.gz XJMSIKVRRIGUHU-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249065311 287106051 /nfs/dbraw/zinc/10/60/51/287106051.db2.gz ZHJAECMXJPJDEC-HUUCEWRRSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249065311 287106053 /nfs/dbraw/zinc/10/60/53/287106053.db2.gz ZHJAECMXJPJDEC-HUUCEWRRSA-N 1 3 314.474 0.720 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000249217692 287108064 /nfs/dbraw/zinc/10/80/64/287108064.db2.gz FLUVUXSJXXZCFD-CVEARBPZSA-N 1 3 301.475 0.466 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000249217692 287108068 /nfs/dbraw/zinc/10/80/68/287108068.db2.gz FLUVUXSJXXZCFD-CVEARBPZSA-N 1 3 301.475 0.466 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418953764 287257143 /nfs/dbraw/zinc/25/71/43/287257143.db2.gz VIFXMBQECUJVEB-HIFRSBDPSA-N 1 3 318.421 0.183 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000419145326 287266934 /nfs/dbraw/zinc/26/69/34/287266934.db2.gz ACUHHGJOSMIJQN-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419145992 287267359 /nfs/dbraw/zinc/26/73/59/287267359.db2.gz HCVJHMGFXRZFFW-ILXRZTDVSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000422882443 287301226 /nfs/dbraw/zinc/30/12/26/287301226.db2.gz SGVOIDCVHKMZMB-LYOVBCGYSA-N 1 3 304.394 0.957 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423356699 287305079 /nfs/dbraw/zinc/30/50/79/287305079.db2.gz HESRANOSRIRREQ-KBPBESRZSA-N 1 3 322.457 0.867 20 0 DCADHO C[C@H](CCNC(=O)C(=O)NCCN(C)C1CC1)[NH+]1CCCCC1 ZINC000343287364 415533433 /nfs/dbraw/zinc/53/34/33/415533433.db2.gz OMSLEXPDYNCXLQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C1 ZINC000353436953 415543578 /nfs/dbraw/zinc/54/35/78/415543578.db2.gz VEEZLYNBRGEALW-SOUVJXGZSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000353436953 415543584 /nfs/dbraw/zinc/54/35/84/415543584.db2.gz VEEZLYNBRGEALW-SOUVJXGZSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000353436953 415543589 /nfs/dbraw/zinc/54/35/89/415543589.db2.gz VEEZLYNBRGEALW-SOUVJXGZSA-N 1 3 310.442 0.443 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000353433895 415543754 /nfs/dbraw/zinc/54/37/54/415543754.db2.gz VGUKFUABKXPURO-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000093695717 415545502 /nfs/dbraw/zinc/54/55/02/415545502.db2.gz NKTVAMREHULWRV-IHRRRGAJSA-N 1 3 303.472 0.717 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CN)OC)[C@H](C)C1 ZINC000353441683 415547111 /nfs/dbraw/zinc/54/71/11/415547111.db2.gz AWUHAVPGTXJESU-RDBSUJKOSA-N 1 3 301.431 0.213 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](CN)OC)[C@H](C)C1 ZINC000353441683 415547117 /nfs/dbraw/zinc/54/71/17/415547117.db2.gz AWUHAVPGTXJESU-RDBSUJKOSA-N 1 3 301.431 0.213 20 0 DCADHO C[C@@H]1CC2(CN1C(=O)C(=O)NCCN(C)C1CC1)CC[NH2+]CC2 ZINC000424551376 287309236 /nfs/dbraw/zinc/30/92/36/287309236.db2.gz OOSMMARRAIZNHH-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343310378 415551236 /nfs/dbraw/zinc/55/12/36/415551236.db2.gz NPZDGLXQCZWKCC-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333144869 415570588 /nfs/dbraw/zinc/57/05/88/415570588.db2.gz DMQOTJRONBBULE-KBMXLJTQSA-N 1 3 321.469 0.158 20 0 DCADHO COCc1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000104533812 415627695 /nfs/dbraw/zinc/62/76/95/415627695.db2.gz OJWZXVRAAYOPNU-UHFFFAOYSA-N 1 3 314.455 0.855 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000343548620 415632277 /nfs/dbraw/zinc/63/22/77/415632277.db2.gz ZJJFEAZLRULJEL-HZPDHXFCSA-N 1 3 306.454 0.463 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000343582144 415644788 /nfs/dbraw/zinc/64/47/88/415644788.db2.gz XQYYEIOISSENMN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000343582144 415644793 /nfs/dbraw/zinc/64/47/93/415644793.db2.gz XQYYEIOISSENMN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000343582147 415645416 /nfs/dbraw/zinc/64/54/16/415645416.db2.gz XQYYEIOISSENMN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000343582147 415645422 /nfs/dbraw/zinc/64/54/22/415645422.db2.gz XQYYEIOISSENMN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000353753070 415647240 /nfs/dbraw/zinc/64/72/40/415647240.db2.gz UZWRBZQBDIRWDW-JSGCOSHPSA-N 1 3 308.426 0.389 20 0 DCADHO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000353753070 415647245 /nfs/dbraw/zinc/64/72/45/415647245.db2.gz UZWRBZQBDIRWDW-JSGCOSHPSA-N 1 3 308.426 0.389 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000333455568 415655111 /nfs/dbraw/zinc/65/51/11/415655111.db2.gz YECGJTGMHDLPBN-UHFFFAOYSA-N 1 3 310.442 0.492 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CNCCO3)C2)CC1 ZINC000333471383 415661770 /nfs/dbraw/zinc/66/17/70/415661770.db2.gz DIEVHAQZGUKMOJ-HUUCEWRRSA-N 1 3 310.442 0.348 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000343652395 415673889 /nfs/dbraw/zinc/67/38/89/415673889.db2.gz CHALUCSEPGYUQN-MRXNPFEDSA-N 1 3 306.454 0.463 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000343791288 415731733 /nfs/dbraw/zinc/73/17/33/415731733.db2.gz ODSVNCUHHRUHSS-HNNXBMFYSA-N 1 3 306.410 0.073 20 0 DCADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](CN)OC)cc1 ZINC000290113590 415762579 /nfs/dbraw/zinc/76/25/79/415762579.db2.gz YQKLTHDYXZFTNY-MRXNPFEDSA-N 1 3 323.437 0.997 20 0 DCADHO CC(C)OC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343877874 415763572 /nfs/dbraw/zinc/76/35/72/415763572.db2.gz ZBRQOBWYWJMRCL-GVDBMIGSSA-N 1 3 313.486 0.730 20 0 DCADHO C[C@H](C[NH2+]C1CCN(CCN2CCOCC2)CC1)CN(C)C ZINC000425938947 287319711 /nfs/dbraw/zinc/31/97/11/287319711.db2.gz RSWHHZBONHOQHN-MRXNPFEDSA-N 1 3 312.502 0.570 20 0 DCADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000333934088 415769598 /nfs/dbraw/zinc/76/95/98/415769598.db2.gz IGAYOMQYYIIUDL-UONOGXRCSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000333934088 415769604 /nfs/dbraw/zinc/76/96/04/415769604.db2.gz IGAYOMQYYIIUDL-UONOGXRCSA-N 1 3 312.458 0.785 20 0 DCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338023491 416034981 /nfs/dbraw/zinc/03/49/81/416034981.db2.gz IBJOAHXCOONXJU-GHMZBOCLSA-N 1 3 310.364 0.312 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357930623 416155922 /nfs/dbraw/zinc/15/59/22/416155922.db2.gz OQGAGVOVHBZBPQ-SLBVQIDZSA-N 1 3 303.406 0.661 20 0 DCADHO C[C@@H](CN1CCOCC1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000341119567 416203194 /nfs/dbraw/zinc/20/31/94/416203194.db2.gz HCSBEDXGXZHKIM-FGTMMUONSA-N 1 3 324.513 0.665 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000347223533 416215005 /nfs/dbraw/zinc/21/50/05/416215005.db2.gz AIGLWGZFLQTLRE-MRXNPFEDSA-N 1 3 324.469 0.834 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000347223533 416215008 /nfs/dbraw/zinc/21/50/08/416215008.db2.gz AIGLWGZFLQTLRE-MRXNPFEDSA-N 1 3 324.469 0.834 20 0 DCADHO O=S1(=O)CCC[C@@H]([NH2+]CCCCN2CCC[C@H]2CO)C1 ZINC000341695171 416224727 /nfs/dbraw/zinc/22/47/27/416224727.db2.gz JMRFIHCHZLDHRP-KGLIPLIRSA-N 1 3 304.456 0.390 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000339635817 416161887 /nfs/dbraw/zinc/16/18/87/416161887.db2.gz GVTXIMZSEDDFHG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358517185 416248505 /nfs/dbraw/zinc/24/85/05/416248505.db2.gz PLSNXNDVDQQZDO-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358686140 416268044 /nfs/dbraw/zinc/26/80/44/416268044.db2.gz UMKPFLIOOZYJTB-WBVHZDCISA-N 1 3 320.437 0.655 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358686140 416268046 /nfs/dbraw/zinc/26/80/46/416268046.db2.gz UMKPFLIOOZYJTB-WBVHZDCISA-N 1 3 320.437 0.655 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415752186 416353537 /nfs/dbraw/zinc/35/35/37/416353537.db2.gz DBXNPZOZWIUWEX-GFCCVEGCSA-N 1 3 308.430 0.954 20 0 DCADHO COCCN1CC[C@@H](NC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415939016 416357676 /nfs/dbraw/zinc/35/76/76/416357676.db2.gz PWWUJFMDTAEYKT-CQSZACIVSA-N 1 3 322.409 0.866 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000360125965 416372631 /nfs/dbraw/zinc/37/26/31/416372631.db2.gz REJJBUBXLIVMSE-AWEZNQCLSA-N 1 3 302.463 0.935 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000360125965 416372633 /nfs/dbraw/zinc/37/26/33/416372633.db2.gz REJJBUBXLIVMSE-AWEZNQCLSA-N 1 3 302.463 0.935 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1CC[NH+](C)CC1 ZINC000360140667 416374428 /nfs/dbraw/zinc/37/44/28/416374428.db2.gz IVSHYESMEAVQDX-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000416897939 416378522 /nfs/dbraw/zinc/37/85/22/416378522.db2.gz YJXDVDCEQKSRDT-INIZCTEOSA-N 1 3 319.453 0.451 20 0 DCADHO COCCNCCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417012379 416381844 /nfs/dbraw/zinc/38/18/44/416381844.db2.gz AEZBEYHQNOJKLM-GASCZTMLSA-N 1 3 314.474 0.890 20 0 DCADHO COCCNCCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417012379 416381845 /nfs/dbraw/zinc/38/18/45/416381845.db2.gz AEZBEYHQNOJKLM-GASCZTMLSA-N 1 3 314.474 0.890 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418711067 416389489 /nfs/dbraw/zinc/38/94/89/416389489.db2.gz VOGQKHVFKBILAT-KGLIPLIRSA-N 1 3 300.447 0.650 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H]1CN ZINC000418832166 416391743 /nfs/dbraw/zinc/39/17/43/416391743.db2.gz LPMUQRFYNSQKOE-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419034109 416396014 /nfs/dbraw/zinc/39/60/14/416396014.db2.gz ZJNSDLDOEPQLNE-STQMWFEESA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419117439 416396550 /nfs/dbraw/zinc/39/65/50/416396550.db2.gz HFTJKVWDQCTRJD-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@H](C)CN)c1 ZINC000419274431 416398433 /nfs/dbraw/zinc/39/84/33/416398433.db2.gz YCYXNSPNIFYREA-CYBMUJFWSA-N 1 3 320.437 0.608 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419292799 416398786 /nfs/dbraw/zinc/39/87/86/416398786.db2.gz ZQKUHCCNYQICQE-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419292121 416398791 /nfs/dbraw/zinc/39/87/91/416398791.db2.gz XRTKVDGUAGKTQJ-RRFJBIMHSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000360800641 416411021 /nfs/dbraw/zinc/41/10/21/416411021.db2.gz PAGBWVNCGYUTSP-HIFRSBDPSA-N 1 3 300.447 0.473 20 0 DCADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000360800641 416411022 /nfs/dbraw/zinc/41/10/22/416411022.db2.gz PAGBWVNCGYUTSP-HIFRSBDPSA-N 1 3 300.447 0.473 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419785753 416411606 /nfs/dbraw/zinc/41/16/06/416411606.db2.gz ZKQPXNRKJRMTKJ-MJBXVCDLSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423059949 416461501 /nfs/dbraw/zinc/46/15/01/416461501.db2.gz GWROUTJBNJZLKN-CABCVRRESA-N 1 3 324.469 0.101 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423123301 416468295 /nfs/dbraw/zinc/46/82/95/416468295.db2.gz MHVYVUTWNRLGJP-CABCVRRESA-N 1 3 324.469 0.374 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@H](C)C(=O)NC(C)C)CC[NH2+]CC1 ZINC000423179262 416473412 /nfs/dbraw/zinc/47/34/12/416473412.db2.gz JMCLYGOPOMKTQA-CHWSQXEVSA-N 1 3 313.442 0.811 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423200755 416478134 /nfs/dbraw/zinc/47/81/34/416478134.db2.gz NBLIXJZHHKYWPP-ZIAGYGMSSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000583935041 416486561 /nfs/dbraw/zinc/48/65/61/416486561.db2.gz LSSRYPPBGUOVOF-STQMWFEESA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1=CC[N@H+](C)CC1 ZINC000458636924 416487653 /nfs/dbraw/zinc/48/76/53/416487653.db2.gz RZWLZLXMTQZYFH-ZBFHGGJFSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1=CC[N@@H+](C)CC1 ZINC000458636924 416487657 /nfs/dbraw/zinc/48/76/57/416487657.db2.gz RZWLZLXMTQZYFH-ZBFHGGJFSA-N 1 3 324.469 0.783 20 0 DCADHO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000361174537 416424442 /nfs/dbraw/zinc/42/44/42/416424442.db2.gz YRUNXGSFIOXPAM-HIFRSBDPSA-N 1 3 319.453 0.975 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CCCN1C ZINC000361561795 416448352 /nfs/dbraw/zinc/44/83/52/416448352.db2.gz GMZAUYNKXHOOKD-HIFRSBDPSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CCCN1C ZINC000361561795 416448358 /nfs/dbraw/zinc/44/83/58/416448358.db2.gz GMZAUYNKXHOOKD-HIFRSBDPSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000422953752 416450814 /nfs/dbraw/zinc/45/08/14/416450814.db2.gz GDQGXKYFXGUAFV-WBVHZDCISA-N 1 3 322.497 0.908 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC[C@H]1N1CCN(C)CC1 ZINC000536551740 416543002 /nfs/dbraw/zinc/54/30/02/416543002.db2.gz MOHDJNMCTFQGGF-BZUAXINKSA-N 1 3 308.470 0.423 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC[C@H]1N1CCN(C)CC1 ZINC000536551740 416543005 /nfs/dbraw/zinc/54/30/05/416543005.db2.gz MOHDJNMCTFQGGF-BZUAXINKSA-N 1 3 308.470 0.423 20 0 DCADHO C[C@H]1CN(CCCN2CCCC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536544179 416544443 /nfs/dbraw/zinc/54/44/43/416544443.db2.gz ZVEUYILGTUOWDZ-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000423729767 416551287 /nfs/dbraw/zinc/55/12/87/416551287.db2.gz VQVSKXFATVDFKK-KGLIPLIRSA-N 1 3 312.458 0.371 20 0 DCADHO C[C@H]1CN(CC2(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)COC2)C[C@@H]1CO ZINC000362089083 416560257 /nfs/dbraw/zinc/56/02/57/416560257.db2.gz RVGMFTUUFJUMPM-SYMSYNOKSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1CN(CC2(C[N@H+]3C[C@@H](C)[C@H](CO)C3)COC2)C[C@@H]1CO ZINC000362089083 416560263 /nfs/dbraw/zinc/56/02/63/416560263.db2.gz RVGMFTUUFJUMPM-SYMSYNOKSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1C[N@@H+](CC2(CN3C[C@@H](C)[C@H](CO)C3)COC2)C[C@@H]1CO ZINC000362089083 416560265 /nfs/dbraw/zinc/56/02/65/416560265.db2.gz RVGMFTUUFJUMPM-SYMSYNOKSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1C[N@H+](CC2(CN3C[C@@H](C)[C@H](CO)C3)COC2)C[C@@H]1CO ZINC000362089083 416560270 /nfs/dbraw/zinc/56/02/70/416560270.db2.gz RVGMFTUUFJUMPM-SYMSYNOKSA-N 1 3 312.454 0.123 20 0 DCADHO O=C(C[C@H]1CSCC[NH2+]1)NCCCN1CCC(O)CC1 ZINC000434874153 416503875 /nfs/dbraw/zinc/50/38/75/416503875.db2.gz AFSOKXCSXYRZJV-LBPRGKRZSA-N 1 3 301.456 0.045 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000423436870 416510786 /nfs/dbraw/zinc/51/07/86/416510786.db2.gz LYGWVTBQFKILBI-OAHLLOKOSA-N 1 3 310.486 0.907 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000423436869 416512333 /nfs/dbraw/zinc/51/23/33/416512333.db2.gz LYGWVTBQFKILBI-HNNXBMFYSA-N 1 3 310.486 0.907 20 0 DCADHO CN(CCN1CCCC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438716207 416602030 /nfs/dbraw/zinc/60/20/30/416602030.db2.gz QKBPQKIUXWPBDD-UHFFFAOYSA-N 1 3 308.430 1.004 20 0 DCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000424037505 416606607 /nfs/dbraw/zinc/60/66/07/416606607.db2.gz UYSBJDJYXVOCII-HOCLYGCPSA-N 1 3 309.454 0.992 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CCOC2CNC2)CC[C@H]1c1ccc(F)cc1 ZINC000424039596 416607513 /nfs/dbraw/zinc/60/75/13/416607513.db2.gz ZMHPKDSBQPXCKV-JKSUJKDBSA-N 1 3 321.396 0.847 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424137292 416615242 /nfs/dbraw/zinc/61/52/42/416615242.db2.gz RXAMMKIQOAOCLX-ZIAGYGMSSA-N 1 3 320.441 0.664 20 0 DCADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424226537 416629608 /nfs/dbraw/zinc/62/96/08/416629608.db2.gz OTWIYZNGXFIZMK-MJBXVCDLSA-N 1 3 307.442 0.697 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424249575 416632894 /nfs/dbraw/zinc/63/28/94/416632894.db2.gz YHUYXSMCWRWSNP-HRCADAONSA-N 1 3 313.405 0.243 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000545251207 416668784 /nfs/dbraw/zinc/66/87/84/416668784.db2.gz VVUASCAKXDNXJB-KBPBESRZSA-N 1 3 300.447 0.546 20 0 DCADHO [NH3+]CCc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641230540 416746630 /nfs/dbraw/zinc/74/66/30/416746630.db2.gz SESKUJYVJDMZOD-MRXNPFEDSA-N 1 3 301.394 0.416 20 0 DCADHO O=C1N[C@@H]2CN(C[C@@H]3CCCCO3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000631828268 416753770 /nfs/dbraw/zinc/75/37/70/416753770.db2.gz KJSFCQHJADNJSH-ARFHVFGLSA-N 1 3 322.453 0.776 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000515075513 416692674 /nfs/dbraw/zinc/69/26/74/416692674.db2.gz ZUHGNLDNFNVRDW-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000442759060 416711646 /nfs/dbraw/zinc/71/16/46/416711646.db2.gz JZFBSODKDQQYFT-RKDXNWHRSA-N 1 3 310.320 0.434 20 0 DCADHO C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000556904227 416720689 /nfs/dbraw/zinc/72/06/89/416720689.db2.gz UAMSBQGDZQQCRL-XUXIUFHCSA-N 1 3 312.458 0.430 20 0 DCADHO CCCN1CCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000557200028 416728512 /nfs/dbraw/zinc/72/85/12/416728512.db2.gz RBVMNNCKDAIMDX-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@H](CC[NH3+])C1 ZINC000443059849 416728834 /nfs/dbraw/zinc/72/88/34/416728834.db2.gz NMWGXIHTSHAOLC-NXEZZACHSA-N 1 3 324.347 0.824 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000426349512 416764618 /nfs/dbraw/zinc/76/46/18/416764618.db2.gz FDEWCEJVEFXNHE-IRXDYDNUSA-N 1 3 320.481 0.852 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)C2)CC1 ZINC000426349512 416764625 /nfs/dbraw/zinc/76/46/25/416764625.db2.gz FDEWCEJVEFXNHE-IRXDYDNUSA-N 1 3 320.481 0.852 20 0 DCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369400214 416768693 /nfs/dbraw/zinc/76/86/93/416768693.db2.gz GNAOCGLQEOHNKG-JYJNAYRXSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369400214 416768702 /nfs/dbraw/zinc/76/87/02/416768702.db2.gz GNAOCGLQEOHNKG-JYJNAYRXSA-N 1 3 324.469 0.833 20 0 DCADHO COc1ccccc1[C@@H](N)CNS(=O)(=O)CCC[NH+](C)C ZINC000631900680 416785649 /nfs/dbraw/zinc/78/56/49/416785649.db2.gz GDXWGUVYGPCLMW-ZDUSSCGKSA-N 1 3 315.439 0.566 20 0 DCADHO C[C@@H]([NH3+])C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631903459 416788412 /nfs/dbraw/zinc/78/84/12/416788412.db2.gz JQWOPTOHEPHWHP-CYBMUJFWSA-N 1 3 303.472 0.861 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000631931616 416810864 /nfs/dbraw/zinc/81/08/64/416810864.db2.gz LYNJGIAXRPNIAN-ZIAGYGMSSA-N 1 3 301.456 0.486 20 0 DCADHO CCOC[C@@H](O)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000518759993 416874022 /nfs/dbraw/zinc/87/40/22/416874022.db2.gz HNLJLOQNZPUNAV-SJORKVTESA-N 1 3 308.422 0.740 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369777642 416828374 /nfs/dbraw/zinc/82/83/74/416828374.db2.gz LBMWTNUXUNEKRU-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369777642 416828378 /nfs/dbraw/zinc/82/83/78/416828378.db2.gz LBMWTNUXUNEKRU-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631964750 416836917 /nfs/dbraw/zinc/83/69/17/416836917.db2.gz LTDZPIJWRUAXMX-CQSZACIVSA-N 1 3 303.472 0.686 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000518180675 416842627 /nfs/dbraw/zinc/84/26/27/416842627.db2.gz YPDSKBIWXIBWTM-IHRRRGAJSA-N 1 3 300.447 0.864 20 0 DCADHO C[C@@H](Nc1nc(N)nc(N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624090506 416957996 /nfs/dbraw/zinc/95/79/96/416957996.db2.gz ZBUPJLPMRWCAME-DGCLKSJQSA-N 1 3 313.409 0.441 20 0 DCADHO C[C@@H](Nc1nc(N)nc(N)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624090506 416958003 /nfs/dbraw/zinc/95/80/03/416958003.db2.gz ZBUPJLPMRWCAME-DGCLKSJQSA-N 1 3 313.409 0.441 20 0 DCADHO O=C1CC[C@@H]2CN(CCN3CC[NH2+]CC3)CC[C@H]2N1C1CC1 ZINC000564988296 416904175 /nfs/dbraw/zinc/90/41/75/416904175.db2.gz AVUSBAVOCLCZJQ-GDBMZVCRSA-N 1 3 306.454 0.367 20 0 DCADHO Cc1c(C(=O)N2CCN[C@H](C)[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000564994765 416904823 /nfs/dbraw/zinc/90/48/23/416904823.db2.gz HQAMNIMKNCYWJK-GHMZBOCLSA-N 1 3 306.414 0.333 20 0 DCADHO C[C@@H](C(=O)N1CCCC1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000520413013 416964663 /nfs/dbraw/zinc/96/46/63/416964663.db2.gz JDRPKHXOTSNMFD-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO NC(=O)[C@@H]1CCCN1CCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000624085174 416951427 /nfs/dbraw/zinc/95/14/27/416951427.db2.gz CGJIOWWNLOBBJL-INIZCTEOSA-N 1 3 308.470 0.790 20 0 DCADHO NC(C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C(F)(F)F ZINC000521872709 417032147 /nfs/dbraw/zinc/03/21/47/417032147.db2.gz ARTKHKQHYJLKAZ-MXWKQRLJSA-N 1 3 309.332 0.621 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000637092205 416982170 /nfs/dbraw/zinc/98/21/70/416982170.db2.gz YEWXZMXJDGHYPL-LSDHHAIUSA-N 1 3 310.442 0.369 20 0 DCADHO CC[NH+](CC)CCOC1CCN(C(=O)COC2CNC2)CC1 ZINC000431029564 417099917 /nfs/dbraw/zinc/09/99/17/417099917.db2.gz FGPJVFMYVXBYQS-UHFFFAOYSA-N 1 3 313.442 0.324 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[C@@H]1[NH3+] ZINC000642785986 417100444 /nfs/dbraw/zinc/10/04/44/417100444.db2.gz WBRLSEDFXGXADF-KFWWJZLASA-N 1 3 322.453 0.173 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000642439689 417051203 /nfs/dbraw/zinc/05/12/03/417051203.db2.gz NKGJKHQQOWESIN-WMLDXEAASA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000642439353 417052054 /nfs/dbraw/zinc/05/20/54/417052054.db2.gz CEGKOJUZAIVGRR-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000642439655 417053001 /nfs/dbraw/zinc/05/30/01/417053001.db2.gz MWWCYKBXCVSTDU-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000642439341 417053565 /nfs/dbraw/zinc/05/35/65/417053565.db2.gz BUMZIOZRRLWUIS-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430652497 417053834 /nfs/dbraw/zinc/05/38/34/417053834.db2.gz NCPHTFAXXWEEEO-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1(C)COC1 ZINC000637266469 417055446 /nfs/dbraw/zinc/05/54/46/417055446.db2.gz YTTIJMQTVZRSEW-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1(C)COC1 ZINC000637266469 417055450 /nfs/dbraw/zinc/05/54/50/417055450.db2.gz YTTIJMQTVZRSEW-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642440168 417056863 /nfs/dbraw/zinc/05/68/63/417056863.db2.gz XSMSABYKYFDXNH-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO COC1(C(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000430686243 417060268 /nfs/dbraw/zinc/06/02/68/417060268.db2.gz LRIUJLAZQZBLJG-ZDUSSCGKSA-N 1 3 301.456 0.309 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCC(C)CC1 ZINC000642644507 417066156 /nfs/dbraw/zinc/06/61/56/417066156.db2.gz VHRNWUAFLNKEBV-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cc(NC(=O)COC2CNC2)n(C2CC[NH+](C)CC2)n1 ZINC000430817358 417069114 /nfs/dbraw/zinc/06/91/14/417069114.db2.gz SAERVCAWIKFRCM-UHFFFAOYSA-N 1 3 307.398 0.385 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[NH2+]C1CC1 ZINC000637317830 417069542 /nfs/dbraw/zinc/06/95/42/417069542.db2.gz RSNYIACTYXKJHN-CYBMUJFWSA-N 1 3 310.442 0.633 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC[C@H]1[NH3+] ZINC000642698723 417072643 /nfs/dbraw/zinc/07/26/43/417072643.db2.gz JHJNMYLYAZXURB-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC000568169567 417088382 /nfs/dbraw/zinc/08/83/82/417088382.db2.gz NTGALDVXYKEBQX-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC000568169567 417088387 /nfs/dbraw/zinc/08/83/87/417088387.db2.gz NTGALDVXYKEBQX-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000642755919 417089009 /nfs/dbraw/zinc/08/90/09/417089009.db2.gz ZUWZATKSUPJHCO-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642773414 417093964 /nfs/dbraw/zinc/09/39/64/417093964.db2.gz XBKBWJUWMVWUHW-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](O)[C@@H](CO)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000642852760 417110852 /nfs/dbraw/zinc/11/08/52/417110852.db2.gz DSULDPZUZNKARG-RHSMWYFYSA-N 1 3 308.422 0.993 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000642906293 417116497 /nfs/dbraw/zinc/11/64/97/417116497.db2.gz FXAYZBRVXQQPEJ-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637467729 417121346 /nfs/dbraw/zinc/12/13/46/417121346.db2.gz DDWSRZJWQRFARW-GJZGRUSLSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637467729 417121353 /nfs/dbraw/zinc/12/13/53/417121353.db2.gz DDWSRZJWQRFARW-GJZGRUSLSA-N 1 3 310.442 0.369 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449310419 417137239 /nfs/dbraw/zinc/13/72/39/417137239.db2.gz GKWYVTXESGNMFU-QWHCGFSZSA-N 1 3 306.414 0.244 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000616998537 417150178 /nfs/dbraw/zinc/15/01/78/417150178.db2.gz PZNQWCDGKSPSRW-GJZGRUSLSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000616998537 417150185 /nfs/dbraw/zinc/15/01/85/417150185.db2.gz PZNQWCDGKSPSRW-GJZGRUSLSA-N 1 3 308.470 0.613 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000637799270 417186075 /nfs/dbraw/zinc/18/60/75/417186075.db2.gz LNZMGJJZVNJJBQ-DLBZAZTESA-N 1 3 318.465 0.904 20 0 DCADHO C[NH2+]CCCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637807045 417189060 /nfs/dbraw/zinc/18/90/60/417189060.db2.gz YVVLLABLPYYAEY-UHFFFAOYSA-N 1 3 319.409 0.643 20 0 DCADHO [NH3+]C1(CC(=O)N2CCNCC2)CCN(Cc2ccccc2)CC1 ZINC000637800924 417189758 /nfs/dbraw/zinc/18/97/58/417189758.db2.gz KGVBJOKMWKYVPC-UHFFFAOYSA-N 1 3 316.449 0.802 20 0 DCADHO O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CN2CCC[C@H]2CO1 ZINC000637805560 417190117 /nfs/dbraw/zinc/19/01/17/417190117.db2.gz JBEUXTKVLGEWFS-JKSUJKDBSA-N 1 3 318.421 0.541 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637816266 417197428 /nfs/dbraw/zinc/19/74/28/417197428.db2.gz FNYKGHXLBLEGBX-HZPDHXFCSA-N 1 3 304.438 0.786 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)CCN(C)CCOCCOC)C1 ZINC000637823564 417200260 /nfs/dbraw/zinc/20/02/60/417200260.db2.gz JLZOIJOXOGSPKJ-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000637824724 417200499 /nfs/dbraw/zinc/20/04/99/417200499.db2.gz PXRWZLZMBZFWOV-CVEARBPZSA-N 1 3 304.438 0.656 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637844935 417205401 /nfs/dbraw/zinc/20/54/01/417205401.db2.gz SSLKXQCGRCWAIP-JKSUJKDBSA-N 1 3 306.454 0.935 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000527066376 417209501 /nfs/dbraw/zinc/20/95/01/417209501.db2.gz XZXKZTFSZRYPMB-CQSZACIVSA-N 1 3 300.447 0.594 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000527066376 417209506 /nfs/dbraw/zinc/20/95/06/417209506.db2.gz XZXKZTFSZRYPMB-CQSZACIVSA-N 1 3 300.447 0.594 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449693669 417165431 /nfs/dbraw/zinc/16/54/31/417165431.db2.gz FBPLTJQGRBYEIO-CQSZACIVSA-N 1 3 320.437 0.260 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCC(C)(C)N(C)C)c1 ZINC000414656229 417292849 /nfs/dbraw/zinc/29/28/49/417292849.db2.gz ICHDFDWFVIVSOP-UHFFFAOYSA-N 1 3 306.410 0.801 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000627112445 417233362 /nfs/dbraw/zinc/23/33/62/417233362.db2.gz MENTUAATTONGFG-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627131447 417242586 /nfs/dbraw/zinc/24/25/86/417242586.db2.gz DXAHAAZPYJKZDV-AWEZNQCLSA-N 1 3 310.442 0.681 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569392102 417247081 /nfs/dbraw/zinc/24/70/81/417247081.db2.gz ULNHSGRQRVHOKF-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569392102 417247089 /nfs/dbraw/zinc/24/70/89/417247089.db2.gz ULNHSGRQRVHOKF-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433387691 417263940 /nfs/dbraw/zinc/26/39/40/417263940.db2.gz RTOVDBPEULXGPW-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)C2 ZINC000570451658 417356355 /nfs/dbraw/zinc/35/63/55/417356355.db2.gz QVJUAXUTKPAJNK-HIFRSBDPSA-N 1 3 322.453 0.086 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)C2 ZINC000570451658 417356362 /nfs/dbraw/zinc/35/63/62/417356362.db2.gz QVJUAXUTKPAJNK-HIFRSBDPSA-N 1 3 322.453 0.086 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000570155668 417317251 /nfs/dbraw/zinc/31/72/51/417317251.db2.gz QSWXNAZCGCVSNH-NCOADZHNSA-N 1 3 313.486 0.921 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000570155668 417317258 /nfs/dbraw/zinc/31/72/58/417317258.db2.gz QSWXNAZCGCVSNH-NCOADZHNSA-N 1 3 313.486 0.921 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000638086947 417319801 /nfs/dbraw/zinc/31/98/01/417319801.db2.gz XTBSZXKWNWCPBZ-KRWDZBQOSA-N 1 3 318.465 0.904 20 0 DCADHO COCC[N@H+](C)CCNC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000638090239 417321035 /nfs/dbraw/zinc/32/10/35/417321035.db2.gz DCWWFHKLXMWAAU-OAHLLOKOSA-N 1 3 309.410 0.259 20 0 DCADHO COCC[N@@H+](C)CCNC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000638090239 417321042 /nfs/dbraw/zinc/32/10/42/417321042.db2.gz DCWWFHKLXMWAAU-OAHLLOKOSA-N 1 3 309.410 0.259 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCOCc2ccccc2)C1 ZINC000415082674 417329221 /nfs/dbraw/zinc/32/92/21/417329221.db2.gz DPPKIDSZLMZVRF-INIZCTEOSA-N 1 3 305.422 0.990 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638125204 417342327 /nfs/dbraw/zinc/34/23/27/417342327.db2.gz DGQIRKMAAWSMCB-WBVHZDCISA-N 1 3 318.465 0.904 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638125204 417342335 /nfs/dbraw/zinc/34/23/35/417342335.db2.gz DGQIRKMAAWSMCB-WBVHZDCISA-N 1 3 318.465 0.904 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)[C@]1(COC)CCCCN1 ZINC000638122250 417343217 /nfs/dbraw/zinc/34/32/17/417343217.db2.gz KFLIHPBWRQIHPA-OAHLLOKOSA-N 1 3 301.431 0.230 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)[C@]1(COC)CCCCN1 ZINC000638122250 417343225 /nfs/dbraw/zinc/34/32/25/417343225.db2.gz KFLIHPBWRQIHPA-OAHLLOKOSA-N 1 3 301.431 0.230 20 0 DCADHO CN(C)CCN(Cc1ccccc1F)C(=O)CN1CC[NH2+]CC1 ZINC000638230688 417385919 /nfs/dbraw/zinc/38/59/19/417385919.db2.gz GLDORBUFFWCBRE-UHFFFAOYSA-N 1 3 322.428 0.621 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000638275522 417401574 /nfs/dbraw/zinc/40/15/74/417401574.db2.gz YTCVRUTYYMTOOP-OAGGEKHMSA-N 1 3 308.470 0.755 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000570986234 417413842 /nfs/dbraw/zinc/41/38/42/417413842.db2.gz RTEJWDNWAPTXCB-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000633116187 417369921 /nfs/dbraw/zinc/36/99/21/417369921.db2.gz QBVMYDDLNWQZBO-HZSPNIEDSA-N 1 3 308.426 0.021 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638207522 417375234 /nfs/dbraw/zinc/37/52/34/417375234.db2.gz ZDTNBMQZEBNLOL-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638207522 417375239 /nfs/dbraw/zinc/37/52/39/417375239.db2.gz ZDTNBMQZEBNLOL-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622032099 417377720 /nfs/dbraw/zinc/37/77/20/417377720.db2.gz ZDCBKRJYYAGULR-RHSMWYFYSA-N 1 3 322.453 0.271 20 0 DCADHO CC1(OCC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CNC1 ZINC000638553586 417488972 /nfs/dbraw/zinc/48/89/72/417488972.db2.gz BNQJHZBQDQVRSR-NXEZZACHSA-N 1 3 309.332 0.351 20 0 DCADHO CN(CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CC(C)(C)C ZINC000638367268 417435409 /nfs/dbraw/zinc/43/54/09/417435409.db2.gz UGGPJKSJVBMHGX-UONOGXRCSA-N 1 3 307.442 0.651 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529353006 417447711 /nfs/dbraw/zinc/44/77/11/417447711.db2.gz UXFJHLFYSGOGSE-MCIONIFRSA-N 1 3 310.442 0.368 20 0 DCADHO COC[C@@]1(C(=O)NCCN(C)CCC[NH+](C)C)CCCCN1 ZINC000638410138 417447977 /nfs/dbraw/zinc/44/79/77/417447977.db2.gz WFKPORYHSDJAEK-MRXNPFEDSA-N 1 3 314.474 0.145 20 0 DCADHO COC[C@@]1(C(=O)Nc2ccc3c(c2)OCCNC3)CC[NH2+]C1 ZINC000638668869 417530006 /nfs/dbraw/zinc/53/00/06/417530006.db2.gz RNJGMOGKMSNAFZ-MRXNPFEDSA-N 1 3 305.378 0.733 20 0 DCADHO NC(C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000638783543 417556078 /nfs/dbraw/zinc/55/60/78/417556078.db2.gz NBSLKFPWGLXXRE-GHMZBOCLSA-N 1 3 309.332 0.493 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)Nc2cc(N3CCNCC3)ccn2)C1 ZINC000638984639 417595730 /nfs/dbraw/zinc/59/57/30/417595730.db2.gz YAHNGNXEHKNKSX-ZDUSSCGKSA-N 1 3 303.410 0.772 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)Nc2cc(N3CCNCC3)ccn2)C1 ZINC000638984639 417595737 /nfs/dbraw/zinc/59/57/37/417595737.db2.gz YAHNGNXEHKNKSX-ZDUSSCGKSA-N 1 3 303.410 0.772 20 0 DCADHO COCCCN1CCC(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000576343713 417601062 /nfs/dbraw/zinc/60/10/62/417601062.db2.gz ZANCLQPFJJBLPR-CHWSQXEVSA-N 1 3 300.447 0.912 20 0 DCADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N1CCC[C@@H](C)C1 ZINC000644521718 417611540 /nfs/dbraw/zinc/61/15/40/417611540.db2.gz DIDSJEGOMXTAFO-BRWVUGGUSA-N 1 3 312.502 0.305 20 0 DCADHO C[C@H](CNC[C@@H](O)CN1CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000644521718 417611545 /nfs/dbraw/zinc/61/15/45/417611545.db2.gz DIDSJEGOMXTAFO-BRWVUGGUSA-N 1 3 312.502 0.305 20 0 DCADHO C[C@H](CNC[C@@H](O)CN1CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000644521718 417611551 /nfs/dbraw/zinc/61/15/51/417611551.db2.gz DIDSJEGOMXTAFO-BRWVUGGUSA-N 1 3 312.502 0.305 20 0 DCADHO CC(C)OC[C@@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000644532865 417613649 /nfs/dbraw/zinc/61/36/49/417613649.db2.gz BCFFRFPRLNPYKO-KRWDZBQOSA-N 1 3 313.486 0.921 20 0 DCADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CC1 ZINC000644562059 417618437 /nfs/dbraw/zinc/61/84/37/417618437.db2.gz RGLMBLFTYQPJKU-GDBMZVCRSA-N 1 3 307.442 0.002 20 0 DCADHO COCCOC[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000644613298 417631540 /nfs/dbraw/zinc/63/15/40/417631540.db2.gz YSGVQEPKDSLCHE-QGZVFWFLSA-N 1 3 323.437 0.912 20 0 DCADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cc2c(cn1)OCCO2 ZINC000639172928 417634385 /nfs/dbraw/zinc/63/43/85/417634385.db2.gz XDBGDNDVNKUSBG-UHFFFAOYSA-N 1 3 320.437 0.922 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CCC([C@H]2CCCO2)CC1 ZINC000577122316 417666720 /nfs/dbraw/zinc/66/67/20/417666720.db2.gz QHCRJCHGXVNCPV-JKSUJKDBSA-N 1 3 300.443 0.817 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CCC([C@H]2CCCO2)CC1 ZINC000577122316 417666724 /nfs/dbraw/zinc/66/67/24/417666724.db2.gz QHCRJCHGXVNCPV-JKSUJKDBSA-N 1 3 300.443 0.817 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc2ccccn2n1 ZINC000577668274 417679619 /nfs/dbraw/zinc/67/96/19/417679619.db2.gz SZGRYDVXUZKXFE-UHFFFAOYSA-N 1 3 318.425 1.291 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000635749642 417754444 /nfs/dbraw/zinc/75/44/44/417754444.db2.gz MMDDRWGQUXELAX-JKSUJKDBSA-N 1 3 322.497 0.813 20 0 DCADHO O=C(NCCCN1CCC(O)CC1)C12CCC[NH+](CCC1)C2 ZINC000635580913 417712067 /nfs/dbraw/zinc/71/20/67/417712067.db2.gz OANVABBQZLPNLN-UHFFFAOYSA-N 1 3 309.454 0.825 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458100642 417721810 /nfs/dbraw/zinc/72/18/10/417721810.db2.gz VFXWHBMDYCNRMH-KGLIPLIRSA-N 1 3 300.447 0.473 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)nn1 ZINC000645634851 417769789 /nfs/dbraw/zinc/76/97/89/417769789.db2.gz FAYPCPUGGCOTNC-CQSZACIVSA-N 1 3 320.441 0.717 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000662622423 417824223 /nfs/dbraw/zinc/82/42/23/417824223.db2.gz RHJFJFTXYHHNQQ-GSPSYOTPSA-N 1 3 307.438 0.790 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000662632477 417829104 /nfs/dbraw/zinc/82/91/04/417829104.db2.gz QLPYQDUTXPVPPE-INIZCTEOSA-N 1 3 306.454 0.556 20 0 DCADHO COCCNCCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000640340684 417832969 /nfs/dbraw/zinc/83/29/69/417832969.db2.gz NOQRYZLXUJUIQJ-CABCVRRESA-N 1 3 312.458 0.644 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336071 417835399 /nfs/dbraw/zinc/83/53/99/417835399.db2.gz HGOBHXDZLSIFKM-KAHPBISDSA-N 1 3 307.438 0.729 20 0 DCADHO O=C(c1cccc2c1CNC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662517210 417789912 /nfs/dbraw/zinc/78/99/12/417789912.db2.gz KWMHBKKGNWGXMH-AWEZNQCLSA-N 1 3 300.406 0.410 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662595223 417815290 /nfs/dbraw/zinc/81/52/90/417815290.db2.gz YRYPWBPTBWSCOB-HOTGVXAUSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)C1C[NH+](C2CCCCC2)C1 ZINC000640320190 417818417 /nfs/dbraw/zinc/81/84/17/417818417.db2.gz MRQBMIAFWPIKMP-HNNXBMFYSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)[C@]1(CNC(=O)NCCC2(C[NH3+])CC2)CCSC1 ZINC000652163736 417855334 /nfs/dbraw/zinc/85/53/34/417855334.db2.gz WKDRMTHFZIFDRP-AWEZNQCLSA-N 1 3 300.472 0.852 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662757141 417890705 /nfs/dbraw/zinc/89/07/05/417890705.db2.gz KPLMFSDJLZAJML-QAQDUYKDSA-N 1 3 316.449 0.788 20 0 DCADHO COC[C@]1(CNC(=O)c2cccc3c2CCNC3)CCC[NH2+]1 ZINC000662777484 417900048 /nfs/dbraw/zinc/90/00/48/417900048.db2.gz BZBAOUQXVDJJQN-QGZVFWFLSA-N 1 3 303.406 0.831 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])Cc1ccccc1 ZINC000662662541 417840902 /nfs/dbraw/zinc/84/09/02/417840902.db2.gz GJJQQWMUOIARFV-JYJNAYRXSA-N 1 3 305.422 0.639 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000662673268 417846383 /nfs/dbraw/zinc/84/63/83/417846383.db2.gz IWDWKQQUVCGQMB-CABCVRRESA-N 1 3 307.394 0.929 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)nn1 ZINC000662835376 417920947 /nfs/dbraw/zinc/92/09/47/417920947.db2.gz MQCNKVNIXIVTRE-DZGCQCFKSA-N 1 3 320.441 0.764 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662840178 417923589 /nfs/dbraw/zinc/92/35/89/417923589.db2.gz YUERCUXOWAFPGY-GUTXKFCHSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662840178 417923593 /nfs/dbraw/zinc/92/35/93/417923593.db2.gz YUERCUXOWAFPGY-GUTXKFCHSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858619 417928187 /nfs/dbraw/zinc/92/81/87/417928187.db2.gz GXXFENZSKFOSCF-RRQGHBQHSA-N 1 3 317.433 0.867 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860485 417930780 /nfs/dbraw/zinc/93/07/80/417930780.db2.gz SCBWQHCGAZYOFF-BBRMVZONSA-N 1 3 305.422 0.725 20 0 DCADHO N[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000662860159 417931463 /nfs/dbraw/zinc/93/14/63/417931463.db2.gz QUEMUQGFDDKSRT-IAGOWNOFSA-N 1 3 317.433 0.997 20 0 DCADHO N[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000662860159 417931468 /nfs/dbraw/zinc/93/14/68/417931468.db2.gz QUEMUQGFDDKSRT-IAGOWNOFSA-N 1 3 317.433 0.997 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H]1CCCS(=O)(=O)C1 ZINC000658108260 417939894 /nfs/dbraw/zinc/93/98/94/417939894.db2.gz QGCHDHGEMJAKSJ-UONOGXRCSA-N 1 3 305.488 0.425 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000640941629 417949234 /nfs/dbraw/zinc/94/92/34/417949234.db2.gz XEHGVZFPZUFHLZ-UKRRQHHQSA-N 1 3 303.410 0.911 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000636458836 417951675 /nfs/dbraw/zinc/95/16/75/417951675.db2.gz QVQMBNRDOZUATC-OAHLLOKOSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000652731779 417959413 /nfs/dbraw/zinc/95/94/13/417959413.db2.gz UQFXGUYNVUGFHN-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@@H]1[NH3+] ZINC000652732919 417959861 /nfs/dbraw/zinc/95/98/61/417959861.db2.gz WPOBEGFGLAACEN-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000652737218 417963289 /nfs/dbraw/zinc/96/32/89/417963289.db2.gz BTPXZOSZHWIFGS-RHSMWYFYSA-N 1 3 324.469 0.374 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662971270 417967791 /nfs/dbraw/zinc/96/77/91/417967791.db2.gz FNOFSZZTYWGRGC-INIZCTEOSA-N 1 3 324.469 0.324 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@@H]3COC[C@@H]3C2)C1=O ZINC000663221481 418001853 /nfs/dbraw/zinc/00/18/53/418001853.db2.gz OIRDIOCIVCWRKF-RDBSUJKOSA-N 1 3 309.410 0.034 20 0 DCADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106301 418026712 /nfs/dbraw/zinc/02/67/12/418026712.db2.gz ZVLYNIFELVBROJ-BQFCYCMXSA-N 1 3 315.417 0.613 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@H](N)CC[NH+](C)C)c1 ZINC000653109081 418027257 /nfs/dbraw/zinc/02/72/57/418027257.db2.gz RPMNNCGUACWWJV-MRXNPFEDSA-N 1 3 322.453 0.522 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000647594218 418030470 /nfs/dbraw/zinc/03/04/70/418030470.db2.gz RBJFEVPXJBQUOL-BFHYXJOUSA-N 1 3 312.458 0.609 20 0 DCADHO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000653148050 418036742 /nfs/dbraw/zinc/03/67/42/418036742.db2.gz MOVSTQHWYGZZAR-IAGOWNOFSA-N 1 3 318.465 0.998 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653151291 418037121 /nfs/dbraw/zinc/03/71/21/418037121.db2.gz BXFZCDFLTMBNHJ-DJIMGWMZSA-N 1 3 318.465 0.902 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653151294 418037170 /nfs/dbraw/zinc/03/71/70/418037170.db2.gz BXFZCDFLTMBNHJ-PVAVHDDUSA-N 1 3 318.465 0.902 20 0 DCADHO CC(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC000658956846 418041506 /nfs/dbraw/zinc/04/15/06/418041506.db2.gz ATQUYJCCMHBSGW-YPMHNXCESA-N 1 3 302.440 0.658 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)C[C@H]1C[NH3+] ZINC000653248848 418047492 /nfs/dbraw/zinc/04/74/92/418047492.db2.gz GLCNMLJUNLXMQH-VNQPRFMTSA-N 1 3 303.406 0.696 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659513992 418109773 /nfs/dbraw/zinc/10/97/73/418109773.db2.gz NSWCBMCWEGTYFP-DZGCQCFKSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@]1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659528267 418111343 /nfs/dbraw/zinc/11/13/43/418111343.db2.gz DAULVKWIJNEAPX-DOTOQJQBSA-N 1 3 324.469 0.929 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000659538107 418113950 /nfs/dbraw/zinc/11/39/50/418113950.db2.gz VQWOOFLCKNWRRT-UKRRQHHQSA-N 1 3 310.442 0.681 20 0 DCADHO CC1(OCC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CNC1 ZINC000648177539 418114310 /nfs/dbraw/zinc/11/43/10/418114310.db2.gz GENSMBIMJDQAQU-ZFWWWQNUSA-N 1 3 311.426 0.110 20 0 DCADHO CN(CCN1CCCCC1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000653274533 418050757 /nfs/dbraw/zinc/05/07/57/418050757.db2.gz IMMOHLLRJSKGPR-AWEZNQCLSA-N 1 3 320.441 0.761 20 0 DCADHO CNCc1cccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000659093730 418057964 /nfs/dbraw/zinc/05/79/64/418057964.db2.gz AUHVDNVAZBVFNZ-GFCCVEGCSA-N 1 3 306.410 0.801 20 0 DCADHO COc1cccc(NC(=O)CCN(C)CCN2CC[NH2+]CC2)c1 ZINC000647835729 418060107 /nfs/dbraw/zinc/06/01/07/418060107.db2.gz LHRFOLGULSFXLO-UHFFFAOYSA-N 1 3 320.437 0.861 20 0 DCADHO CS(=O)(=O)N[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647877427 418069388 /nfs/dbraw/zinc/06/93/88/418069388.db2.gz PXBPUSVADGQMPF-CQSZACIVSA-N 1 3 303.472 0.780 20 0 DCADHO NC(=O)C1(c2ccccc2)CCN(CCN2CC[NH2+]CC2)CC1 ZINC000647885974 418069690 /nfs/dbraw/zinc/06/96/90/418069690.db2.gz XSBIWZJVELWXMN-UHFFFAOYSA-N 1 3 316.449 0.411 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663961066 418069816 /nfs/dbraw/zinc/06/98/16/418069816.db2.gz DAZGOSDFGFXEDC-GJZGRUSLSA-N 1 3 314.474 0.815 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000659244282 418073236 /nfs/dbraw/zinc/07/32/36/418073236.db2.gz SNJZVPMQWCVYSA-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](O)COCC2CC2)CC1 ZINC000647909215 418074473 /nfs/dbraw/zinc/07/44/73/418074473.db2.gz WLKAFHOUIVYXDN-OAHLLOKOSA-N 1 3 300.443 0.599 20 0 DCADHO C[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)CN1CCN(C)CC1 ZINC000664221920 418099931 /nfs/dbraw/zinc/09/99/31/418099931.db2.gz SSALEMRTQZARSL-GJZGRUSLSA-N 1 3 313.490 0.509 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659459389 418100421 /nfs/dbraw/zinc/10/04/21/418100421.db2.gz CWOKHABLWKUWOM-AWEZNQCLSA-N 1 3 313.490 0.639 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000648150871 418106639 /nfs/dbraw/zinc/10/66/39/418106639.db2.gz MFYLZYMZECAYON-OAHLLOKOSA-N 1 3 308.470 0.470 20 0 DCADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)nn2c1OCCC2 ZINC000648272258 418122480 /nfs/dbraw/zinc/12/24/80/418122480.db2.gz HEMOANMBNZGGPZ-UHFFFAOYSA-N 1 3 323.441 0.539 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CCO1 ZINC000659606706 418125037 /nfs/dbraw/zinc/12/50/37/418125037.db2.gz SYNXRBCKCIQUIP-RRFJBIMHSA-N 1 3 312.458 0.864 20 0 DCADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCN(CC2CCOCC2)CC1 ZINC000659619297 418128327 /nfs/dbraw/zinc/12/83/27/418128327.db2.gz VRSTXNPFFATSBE-UHFFFAOYSA-N 1 3 322.453 0.492 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659638066 418135225 /nfs/dbraw/zinc/13/52/25/418135225.db2.gz WNWHWXGGMDSAMU-BBRMVZONSA-N 1 3 320.437 0.660 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659680275 418144548 /nfs/dbraw/zinc/14/45/48/418144548.db2.gz DMIKBJIARMXFHE-GXZXJKLZSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659685395 418146528 /nfs/dbraw/zinc/14/65/28/418146528.db2.gz MBKAZRICGWWEAO-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CCC[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654459772 418147961 /nfs/dbraw/zinc/14/79/61/418147961.db2.gz BABWAHSCNGYPMA-LSDHHAIUSA-N 1 3 310.442 0.321 20 0 DCADHO CCN(C(=O)NCCOCC[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000664731768 418149844 /nfs/dbraw/zinc/14/98/44/418149844.db2.gz JTHDYHJVFLXQOA-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)NC1CC[NH2+]CC1 ZINC000659709395 418155961 /nfs/dbraw/zinc/15/59/61/418155961.db2.gz IEGUGNUWDHIEBW-AWEZNQCLSA-N 1 3 322.453 0.378 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000659712515 418156987 /nfs/dbraw/zinc/15/69/87/418156987.db2.gz FVMAZWNUHLZWDZ-RDBSUJKOSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664898431 418159389 /nfs/dbraw/zinc/15/93/89/418159389.db2.gz ZMQJHLASCGINTR-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654570485 418161642 /nfs/dbraw/zinc/16/16/42/418161642.db2.gz YYXSQGABDJSFCH-SOUVJXGZSA-N 1 3 312.458 0.567 20 0 DCADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654570485 418161645 /nfs/dbraw/zinc/16/16/45/418161645.db2.gz YYXSQGABDJSFCH-SOUVJXGZSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659726112 418164479 /nfs/dbraw/zinc/16/44/79/418164479.db2.gz BWJVCUNFLVVXRH-MJBXVCDLSA-N 1 3 324.469 0.752 20 0 DCADHO C[NH+](C)C1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654596562 418165279 /nfs/dbraw/zinc/16/52/79/418165279.db2.gz UHQVKDBRVAKQPR-PFSRBDOWSA-N 1 3 310.442 0.320 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731940 418166970 /nfs/dbraw/zinc/16/69/70/418166970.db2.gz HDZISVXRMCHKQY-UHFFFAOYSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COCC1(C)C ZINC000665052050 418171401 /nfs/dbraw/zinc/17/14/01/418171401.db2.gz ISIBJEOBEICESL-UONOGXRCSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COCC1(C)C ZINC000665052050 418171402 /nfs/dbraw/zinc/17/14/02/418171402.db2.gz ISIBJEOBEICESL-UONOGXRCSA-N 1 3 314.474 0.983 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH2+]C)CC2)C1 ZINC000659739435 418172710 /nfs/dbraw/zinc/17/27/10/418172710.db2.gz UKTKPDBVHNTACN-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000659753509 418176469 /nfs/dbraw/zinc/17/64/69/418176469.db2.gz PLBNOMOQBURFHT-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000649343646 418243969 /nfs/dbraw/zinc/24/39/69/418243969.db2.gz MIYDRXBOSZVUMJ-CYBMUJFWSA-N 1 3 318.412 0.373 20 0 DCADHO COCCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000649348232 418246108 /nfs/dbraw/zinc/24/61/08/418246108.db2.gz DVQSEMQXKKOGTR-DZGCQCFKSA-N 1 3 309.454 0.992 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000665271204 418192520 /nfs/dbraw/zinc/19/25/20/418192520.db2.gz JAIZVXPLSOINBY-QPSCCSFWSA-N 1 3 310.442 0.320 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[C@@H]1O ZINC000665271204 418192523 /nfs/dbraw/zinc/19/25/23/418192523.db2.gz JAIZVXPLSOINBY-QPSCCSFWSA-N 1 3 310.442 0.320 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000660372925 418254012 /nfs/dbraw/zinc/25/40/12/418254012.db2.gz ZEDPLHVDKOWDJH-CABCVRRESA-N 1 3 301.475 0.465 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000660372925 418254016 /nfs/dbraw/zinc/25/40/16/418254016.db2.gz ZEDPLHVDKOWDJH-CABCVRRESA-N 1 3 301.475 0.465 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660838682 418293923 /nfs/dbraw/zinc/29/39/23/418293923.db2.gz YKZWDJYJYIFHRH-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(CCOC)CC2)C1 ZINC000660840333 418294637 /nfs/dbraw/zinc/29/46/37/418294637.db2.gz WYGNEBVFNKANJV-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(CCOC)CC2)C1 ZINC000660840333 418294639 /nfs/dbraw/zinc/29/46/39/418294639.db2.gz WYGNEBVFNKANJV-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655916813 418300182 /nfs/dbraw/zinc/30/01/82/418300182.db2.gz IOYBFNASMOCUAO-VHSXEESVSA-N 1 3 312.336 0.286 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655960889 418306776 /nfs/dbraw/zinc/30/67/76/418306776.db2.gz BURFUWIDYJBMQP-JKSUJKDBSA-N 1 3 323.485 0.598 20 0 DCADHO [NH3+]C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000655964522 418308332 /nfs/dbraw/zinc/30/83/32/418308332.db2.gz WQKUAVQJFSPREM-RRFJBIMHSA-N 1 3 310.442 0.354 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000661024879 418311428 /nfs/dbraw/zinc/31/14/28/418311428.db2.gz BBDRPZLNLYMANJ-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656027515 418321537 /nfs/dbraw/zinc/32/15/37/418321537.db2.gz CGDFUHPWPBBRNO-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO NC(=O)CNC(=O)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656197515 418335439 /nfs/dbraw/zinc/33/54/39/418335439.db2.gz PJHGRPXHCUYJTK-UONOGXRCSA-N 1 3 304.394 0.261 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656303648 418342462 /nfs/dbraw/zinc/34/24/62/418342462.db2.gz LNENLYLUPDXTSW-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CN(C/C=C/C[N@H+](C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661611072 418350934 /nfs/dbraw/zinc/35/09/34/418350934.db2.gz IASIEYTXABFZNU-OBMMGQTPSA-N 1 3 314.426 0.237 20 0 DCADHO CN(C/C=C/C[N@@H+](C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661611072 418350936 /nfs/dbraw/zinc/35/09/36/418350936.db2.gz IASIEYTXABFZNU-OBMMGQTPSA-N 1 3 314.426 0.237 20 0 DCADHO [NH3+]C[C@@H](O)CCc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656455255 418355838 /nfs/dbraw/zinc/35/58/38/418355838.db2.gz AYAKSFAKYVYREG-IRXDYDNUSA-N 1 3 315.421 0.977 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000661834414 418363618 /nfs/dbraw/zinc/36/36/18/418363618.db2.gz GVBJROQOSQZQGJ-LSDHHAIUSA-N 1 3 309.454 0.869 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662497852 418412947 /nfs/dbraw/zinc/41/29/47/418412947.db2.gz LRBMNKVUCFLYNJ-RISCZKNCSA-N 1 3 318.425 0.415 20 0 DCADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC1CCOCC1 ZINC000662295983 418399503 /nfs/dbraw/zinc/39/95/03/418399503.db2.gz JORAOZHIYDUCSE-OAHLLOKOSA-N 1 3 309.454 0.993 20 0 DCADHO c1c([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1 ZINC000662336493 418401663 /nfs/dbraw/zinc/40/16/63/418401663.db2.gz YCXRPOFVMUCGFB-CABCVRRESA-N 1 3 318.469 0.608 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000187177567 261122653 /nfs/dbraw/zinc/12/26/53/261122653.db2.gz HPPIQODQUBAVQK-OAHLLOKOSA-N 1 3 314.474 0.722 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000187268422 261123074 /nfs/dbraw/zinc/12/30/74/261123074.db2.gz APRNJFROGLXVAB-AWEZNQCLSA-N 1 3 300.447 0.474 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000187268422 261123076 /nfs/dbraw/zinc/12/30/76/261123076.db2.gz APRNJFROGLXVAB-AWEZNQCLSA-N 1 3 300.447 0.474 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000354806716 261273983 /nfs/dbraw/zinc/27/39/83/261273983.db2.gz QYZRCTLYPUBWKK-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355521688 261346137 /nfs/dbraw/zinc/34/61/37/261346137.db2.gz YGADNNBXZCWIST-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355521688 261346138 /nfs/dbraw/zinc/34/61/38/261346138.db2.gz YGADNNBXZCWIST-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO Cc1nccn1CCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000362690766 262061287 /nfs/dbraw/zinc/06/12/87/262061287.db2.gz VXSLHIWAXARARO-INIZCTEOSA-N 1 3 319.453 0.820 20 0 DCADHO Cc1nccn1CCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000362690766 262061288 /nfs/dbraw/zinc/06/12/88/262061288.db2.gz VXSLHIWAXARARO-INIZCTEOSA-N 1 3 319.453 0.820 20 0 DCADHO COCCN(C)CCNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000362845058 262080146 /nfs/dbraw/zinc/08/01/46/262080146.db2.gz ZHAGBNWKSKRFSU-AWEZNQCLSA-N 1 3 300.447 0.546 20 0 DCADHO COCC[N@H+](C)CCNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000362845058 262080149 /nfs/dbraw/zinc/08/01/49/262080149.db2.gz ZHAGBNWKSKRFSU-AWEZNQCLSA-N 1 3 300.447 0.546 20 0 DCADHO COCC[N@@H+](C)CCNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000362845058 262080150 /nfs/dbraw/zinc/08/01/50/262080150.db2.gz ZHAGBNWKSKRFSU-AWEZNQCLSA-N 1 3 300.447 0.546 20 0 DCADHO C[N@H+](CCCNC(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000416871951 262241894 /nfs/dbraw/zinc/24/18/94/262241894.db2.gz LEHROOYLNPQUOL-INIZCTEOSA-N 1 3 320.437 0.796 20 0 DCADHO C[N@@H+](CCCNC(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000416871951 262241895 /nfs/dbraw/zinc/24/18/95/262241895.db2.gz LEHROOYLNPQUOL-INIZCTEOSA-N 1 3 320.437 0.796 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000417438926 262252074 /nfs/dbraw/zinc/25/20/74/262252074.db2.gz KFODWNLWPXAVOE-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000417749325 262260282 /nfs/dbraw/zinc/26/02/82/262260282.db2.gz JKATVVUATICDLO-HUUCEWRRSA-N 1 3 313.490 0.543 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000417752291 262260744 /nfs/dbraw/zinc/26/07/44/262260744.db2.gz QMABOIVORSBLMD-GJZGRUSLSA-N 1 3 311.474 0.311 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000417809344 262262097 /nfs/dbraw/zinc/26/20/97/262262097.db2.gz MLLPULVSZARBGL-HNNXBMFYSA-N 1 3 312.458 0.912 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418066162 262268951 /nfs/dbraw/zinc/26/89/51/262268951.db2.gz LAYCLMWPDJFPBT-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418161257 262271837 /nfs/dbraw/zinc/27/18/37/262271837.db2.gz DQEHRFLGBHNLIB-CQSZACIVSA-N 1 3 313.490 0.829 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)NC[C@H]1NCCc2ccccc21 ZINC000418303413 262274217 /nfs/dbraw/zinc/27/42/17/262274217.db2.gz NJNFBWSDTUBQMM-MRXNPFEDSA-N 1 3 317.437 0.078 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418515837 262280265 /nfs/dbraw/zinc/28/02/65/262280265.db2.gz QNJGZFDRCVJNPS-CZUORRHYSA-N 1 3 306.410 0.270 20 0 DCADHO CCN(CCO)CCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418547370 262282438 /nfs/dbraw/zinc/28/24/38/262282438.db2.gz AZWUZARYHYDDSX-UHFFFAOYSA-N 1 3 306.410 0.403 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H]1CNCCO1)C(C)C ZINC000418753767 262287153 /nfs/dbraw/zinc/28/71/53/262287153.db2.gz ALYOVDVJPYXSGU-CQSZACIVSA-N 1 3 300.447 0.735 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418793720 262290196 /nfs/dbraw/zinc/29/01/96/262290196.db2.gz OYDBRMTZNGVITC-SOUVJXGZSA-N 1 3 312.458 0.594 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418856481 262293076 /nfs/dbraw/zinc/29/30/76/262293076.db2.gz WWBXHHOOQXMXQY-OAHLLOKOSA-N 1 3 320.437 0.001 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418932853 262299420 /nfs/dbraw/zinc/29/94/20/262299420.db2.gz HXOOKVDJGUUOSO-XJKSGUPXSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N[C@@H](C)CN)cc1 ZINC000419013112 262304401 /nfs/dbraw/zinc/30/44/01/262304401.db2.gz YNBMMURGSODFLI-ZDUSSCGKSA-N 1 3 320.437 0.608 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419071422 262306016 /nfs/dbraw/zinc/30/60/16/262306016.db2.gz ABIXKLUAVSKVRZ-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419125685 262310851 /nfs/dbraw/zinc/31/08/51/262310851.db2.gz UKTYNJDFGBLDOC-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419125733 262310974 /nfs/dbraw/zinc/31/09/74/262310974.db2.gz UQZUTHCZTQPUCN-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419127142 262311736 /nfs/dbraw/zinc/31/17/36/262311736.db2.gz ZQFAZTLDMRLFIV-ZNMIVQPWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCC(C)CC1 ZINC000419164061 262315307 /nfs/dbraw/zinc/31/53/07/262315307.db2.gz YCJPQOJSPBUKNI-GXTWGEPZSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419234213 262321765 /nfs/dbraw/zinc/32/17/65/262321765.db2.gz XFNMHKBXCGZYDS-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419407129 262330344 /nfs/dbraw/zinc/33/03/44/262330344.db2.gz JQDZYZGFAJOYHG-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000419405122 262330717 /nfs/dbraw/zinc/33/07/17/262330717.db2.gz HGJHJEJDZFVCID-CYBMUJFWSA-N 1 3 310.442 0.032 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419407434 262330758 /nfs/dbraw/zinc/33/07/58/262330758.db2.gz KCOZXPTVNKTOGE-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000419422873 262332505 /nfs/dbraw/zinc/33/25/05/262332505.db2.gz MWEIASWIEDEXKO-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419429390 262333100 /nfs/dbraw/zinc/33/31/00/262333100.db2.gz UQFNTNLMPJCZKU-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419502206 262336067 /nfs/dbraw/zinc/33/60/67/262336067.db2.gz CINFTASEZPMGIM-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)C1CC1 ZINC000419508822 262336077 /nfs/dbraw/zinc/33/60/77/262336077.db2.gz DGZZPSONJVXIPD-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC[NH3+])C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419682862 262344524 /nfs/dbraw/zinc/34/45/24/262344524.db2.gz TVCHEUFUPNLTCN-UHFFFAOYSA-N 1 3 324.469 0.566 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H]1CN ZINC000419690080 262345302 /nfs/dbraw/zinc/34/53/02/262345302.db2.gz BISDLWLTOOTZBN-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H]1CN ZINC000419690080 262345303 /nfs/dbraw/zinc/34/53/03/262345303.db2.gz BISDLWLTOOTZBN-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420055616 262357901 /nfs/dbraw/zinc/35/79/01/262357901.db2.gz AKOOUWYRKZIEGX-CQSZACIVSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420089039 262360358 /nfs/dbraw/zinc/36/03/58/262360358.db2.gz RNZWOXYIYJGTOJ-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000420096038 262360774 /nfs/dbraw/zinc/36/07/74/262360774.db2.gz KEYKKXCJVRPUPA-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000420138485 262362469 /nfs/dbraw/zinc/36/24/69/262362469.db2.gz FKZOMXLRCCVFNS-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000420159036 262364832 /nfs/dbraw/zinc/36/48/32/262364832.db2.gz HOOKBBWBOKFIJB-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420286891 262369536 /nfs/dbraw/zinc/36/95/36/262369536.db2.gz FXBXVZLTZWOLAA-HOCLYGCPSA-N 1 3 304.438 0.686 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000422131745 262398402 /nfs/dbraw/zinc/39/84/02/262398402.db2.gz HMYUICRIFMEYIY-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000423370065 262440764 /nfs/dbraw/zinc/44/07/64/262440764.db2.gz GPIKEHUYQCQYAD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CCN1C ZINC000433397891 262657788 /nfs/dbraw/zinc/65/77/88/262657788.db2.gz CHMSLWFAARRTGU-FRRDWIJNSA-N 1 3 306.414 0.415 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000500181748 287642840 /nfs/dbraw/zinc/64/28/40/287642840.db2.gz JXRWBVBYJBIFSW-CFVMTHIKSA-N 1 3 312.458 0.614 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccncc1OCCN(C)C ZINC000359658790 271139511 /nfs/dbraw/zinc/13/95/11/271139511.db2.gz NBWFBJBHCGCXOB-ZDUSSCGKSA-N 1 3 323.441 0.771 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418297939 271241681 /nfs/dbraw/zinc/24/16/81/271241681.db2.gz LKGCWXLCMYPZNI-UHFFFAOYSA-N 1 3 313.490 0.511 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418713824 271250162 /nfs/dbraw/zinc/25/01/62/271250162.db2.gz HNEPJLUKLDWPJL-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCCCC1 ZINC000418846206 271259245 /nfs/dbraw/zinc/25/92/45/271259245.db2.gz XLJMOBJHAPDOFV-UHFFFAOYSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)[C@@H]1CN ZINC000418991695 271264149 /nfs/dbraw/zinc/26/41/49/271264149.db2.gz MYIODPIPIRKWCS-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)[C@@H]1CN ZINC000418991695 271264150 /nfs/dbraw/zinc/26/41/50/271264150.db2.gz MYIODPIPIRKWCS-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419025611 271265650 /nfs/dbraw/zinc/26/56/50/271265650.db2.gz MJINADGBWIUCKT-MCIONIFRSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419031848 271267690 /nfs/dbraw/zinc/26/76/90/271267690.db2.gz VUNNFJXUOHYOIJ-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)C(C)(C)C ZINC000419140426 271274567 /nfs/dbraw/zinc/27/45/67/271274567.db2.gz VZSJRQGLJXMCHV-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N(C)CCN)c1 ZINC000419268869 271280482 /nfs/dbraw/zinc/28/04/82/271280482.db2.gz NOWGELDSKHCVMI-UHFFFAOYSA-N 1 3 320.437 0.562 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000419403822 271288999 /nfs/dbraw/zinc/28/89/99/271288999.db2.gz FGDPUAHPUDOMKZ-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419477451 271296638 /nfs/dbraw/zinc/29/66/38/271296638.db2.gz IAAUSNKNONVICU-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419477451 271296642 /nfs/dbraw/zinc/29/66/42/271296642.db2.gz IAAUSNKNONVICU-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419522788 271297491 /nfs/dbraw/zinc/29/74/91/271297491.db2.gz NLRLLZGSBDYYLG-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419575754 271309255 /nfs/dbraw/zinc/30/92/55/271309255.db2.gz BDAHGHAKSDLJNF-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419706290 271323015 /nfs/dbraw/zinc/32/30/15/271323015.db2.gz CQBSSYMTNGLMEI-ZDUSSCGKSA-N 1 3 320.437 0.213 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419705068 271323559 /nfs/dbraw/zinc/32/35/59/271323559.db2.gz ZENFSXKWHUWPQG-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419887583 271338581 /nfs/dbraw/zinc/33/85/81/271338581.db2.gz FGFLCDOKYKZCGU-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419931906 271344404 /nfs/dbraw/zinc/34/44/04/271344404.db2.gz DGTWXPCDYMMSNT-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000419933327 271345214 /nfs/dbraw/zinc/34/52/14/271345214.db2.gz QKLFSKFXXWILIF-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420168238 271362025 /nfs/dbraw/zinc/36/20/25/271362025.db2.gz KVGPYDNWUTZSCO-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459996272 272023168 /nfs/dbraw/zinc/02/31/68/272023168.db2.gz QEEFJKNCUXWWIU-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459996272 272023171 /nfs/dbraw/zinc/02/31/71/272023171.db2.gz QEEFJKNCUXWWIU-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO C=CC(=O)NCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000490601576 272078028 /nfs/dbraw/zinc/07/80/28/272078028.db2.gz MNBRXCGJKILXDD-HNNXBMFYSA-N 1 3 324.469 0.553 20 0 DCADHO C=CC(=O)NCCC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000490601576 272078029 /nfs/dbraw/zinc/07/80/29/272078029.db2.gz MNBRXCGJKILXDD-HNNXBMFYSA-N 1 3 324.469 0.553 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CC(NC(=O)/C=C\C[NH+](C)C)C2 ZINC000493455866 272190631 /nfs/dbraw/zinc/19/06/31/272190631.db2.gz IAXOXBYHJRNHCS-URDIIZEHSA-N 1 3 322.453 0.304 20 0 DCADHO CC(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530880718 272749931 /nfs/dbraw/zinc/74/99/31/272749931.db2.gz CROBCZWVDXMWQN-OAHLLOKOSA-N 1 3 312.458 0.197 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000515342233 287652520 /nfs/dbraw/zinc/65/25/20/287652520.db2.gz KXDOYUVVJBAGQD-HUUCEWRRSA-N 1 3 313.490 0.639 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CN1C1CC1 ZINC000346198410 274388808 /nfs/dbraw/zinc/38/88/08/274388808.db2.gz YVZNHHBMXPCJEF-CHWSQXEVSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000346198410 274388809 /nfs/dbraw/zinc/38/88/09/274388809.db2.gz YVZNHHBMXPCJEF-CHWSQXEVSA-N 1 3 322.453 0.280 20 0 DCADHO CC1(C)CC(NC(=O)C(=O)N2CCCNCC2)CC(C)(C)[NH2+]1 ZINC000332270552 278189498 /nfs/dbraw/zinc/18/94/98/278189498.db2.gz GCCMFAQGTKNGON-UHFFFAOYSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262151604 279392969 /nfs/dbraw/zinc/39/29/69/279392969.db2.gz NPUNLHQZYWHMAJ-HOCLYGCPSA-N 1 3 304.438 0.829 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000263225926 280274294 /nfs/dbraw/zinc/27/42/94/280274294.db2.gz GMZZNWKWVLFKPZ-GUTXKFCHSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000263225926 280274297 /nfs/dbraw/zinc/27/42/97/280274297.db2.gz GMZZNWKWVLFKPZ-GUTXKFCHSA-N 1 3 312.458 0.323 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1cc(Cl)cn1 ZINC000551916617 288244524 /nfs/dbraw/zinc/24/45/24/288244524.db2.gz TUNBJQUNNTWSFC-UHFFFAOYSA-N 1 3 315.849 0.878 20 0 DCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)N2CC(C)C2)CC1 ZINC000553187948 288289959 /nfs/dbraw/zinc/28/99/59/288289959.db2.gz WHMGXBRMVQYXRA-HOCLYGCPSA-N 1 3 310.486 0.716 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000556726032 288388005 /nfs/dbraw/zinc/38/80/05/288388005.db2.gz XQOCBMWCFHEFNU-SJORKVTESA-N 1 3 317.433 0.821 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000556726032 288388008 /nfs/dbraw/zinc/38/80/08/288388008.db2.gz XQOCBMWCFHEFNU-SJORKVTESA-N 1 3 317.433 0.821 20 0 DCADHO CO[C@H](C[NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000564934873 288791934 /nfs/dbraw/zinc/79/19/34/288791934.db2.gz LLPWUCRYMLTHNW-SWLSCSKDSA-N 1 3 306.410 0.697 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262782664 289372793 /nfs/dbraw/zinc/37/27/93/289372793.db2.gz NMFYGFXVSNXIOO-KBPBESRZSA-N 1 3 305.426 0.974 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000300281314 293043677 /nfs/dbraw/zinc/04/36/77/293043677.db2.gz BWUHSIASULRJCJ-ZJIFWQFVSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000300281314 293043680 /nfs/dbraw/zinc/04/36/80/293043680.db2.gz BWUHSIASULRJCJ-ZJIFWQFVSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000300281314 293043682 /nfs/dbraw/zinc/04/36/82/293043682.db2.gz BWUHSIASULRJCJ-ZJIFWQFVSA-N 1 3 300.443 0.815 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000300281314 293043684 /nfs/dbraw/zinc/04/36/84/293043684.db2.gz BWUHSIASULRJCJ-ZJIFWQFVSA-N 1 3 300.443 0.815 20 0 DCADHO C[C@H]1CCC[C@](CNC(=O)N2CCOC3(CNC3)C2)([NH+](C)C)C1 ZINC000333858237 299909394 /nfs/dbraw/zinc/90/93/94/299909394.db2.gz YTJCDXURLPZNQD-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000364471205 295498744 /nfs/dbraw/zinc/49/87/44/295498744.db2.gz YNQHXFIXPDHVGF-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)N(C)C ZINC000331592255 299050559 /nfs/dbraw/zinc/05/05/59/299050559.db2.gz IXMZQAREGLGAJW-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO [NH3+]CC1(C(=O)NC[C@H]2NCCc3ccccc32)CCOCC1 ZINC000375969199 303369346 /nfs/dbraw/zinc/36/93/46/303369346.db2.gz NMKHWGXCKWOVRZ-OAHLLOKOSA-N 1 3 303.406 0.745 20 0 DCADHO COCCOC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001652938352 1173778861 /nfs/dbraw/zinc/77/88/61/1173778861.db2.gz SHQMNAOQATZMBU-UAGQMJEPSA-N 1 3 312.454 0.959 20 0 DCADHO COCCOC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001652938352 1173778866 /nfs/dbraw/zinc/77/88/66/1173778866.db2.gz SHQMNAOQATZMBU-UAGQMJEPSA-N 1 3 312.454 0.959 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)nn1 ZINC000583379497 332375085 /nfs/dbraw/zinc/37/50/85/332375085.db2.gz YUDKDRDNWVSXEC-GFCCVEGCSA-N 1 3 306.414 0.374 20 0 DCADHO Cc1occc1C(=O)NC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000580193222 332996362 /nfs/dbraw/zinc/99/63/62/332996362.db2.gz PAWCHSLKCRPOBE-UHFFFAOYSA-N 1 3 320.437 0.687 20 0 DCADHO CCOC(=O)CC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000574983426 334120966 /nfs/dbraw/zinc/12/09/66/334120966.db2.gz KKTCUVYEMPYWTI-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)C2)CC1 ZINC000582963679 337219352 /nfs/dbraw/zinc/21/93/52/337219352.db2.gz ZIZKMOMDZLPGHR-ARFHVFGLSA-N 1 3 308.470 0.741 20 0 DCADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000583322586 337315702 /nfs/dbraw/zinc/31/57/02/337315702.db2.gz PIDHRECSIUBEBQ-CHWSQXEVSA-N 1 3 302.802 0.387 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001445972281 1159326704 /nfs/dbraw/zinc/32/67/04/1159326704.db2.gz WWOZTJPGNFVNNZ-WCQYABFASA-N 1 3 310.442 0.090 20 0 DCADHO N[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000577174262 341894317 /nfs/dbraw/zinc/89/43/17/341894317.db2.gz WNCWZOYNOQBYAV-YUELXQCFSA-N 1 3 322.453 0.221 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000577845704 341942643 /nfs/dbraw/zinc/94/26/43/341942643.db2.gz ASQBAUVIIVBETA-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H](C)C(N)=O ZINC001566550180 1159829408 /nfs/dbraw/zinc/82/94/08/1159829408.db2.gz CSPHZDIIDMLNOC-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H](C)C(N)=O ZINC001566550180 1159829421 /nfs/dbraw/zinc/82/94/21/1159829421.db2.gz CSPHZDIIDMLNOC-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NCC[C@H]2CCC[NH2+]2)CCCO1 ZINC000418119320 534468473 /nfs/dbraw/zinc/46/84/73/534468473.db2.gz UUAXOGYSOQAKSW-HUUCEWRRSA-N 1 3 312.458 0.929 20 0 DCADHO COCC1(CNC(=O)[C@@H](N)Cc2ccccc2)CC[NH2+]CC1 ZINC000261662082 522892646 /nfs/dbraw/zinc/89/26/46/522892646.db2.gz FIJKEWCUGIUVOF-HNNXBMFYSA-N 1 3 305.422 0.689 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC1 ZINC000332561837 528975112 /nfs/dbraw/zinc/97/51/12/528975112.db2.gz QXALNSNAPUNHFU-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)CC)o1 ZINC000130987460 545789630 /nfs/dbraw/zinc/78/96/30/545789630.db2.gz VBQYOZVKTFFZGO-UHFFFAOYSA-N 1 3 324.425 0.643 20 0 DCADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)CC)o1 ZINC000130987460 545789640 /nfs/dbraw/zinc/78/96/40/545789640.db2.gz VBQYOZVKTFFZGO-UHFFFAOYSA-N 1 3 324.425 0.643 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000236838644 545952835 /nfs/dbraw/zinc/95/28/35/545952835.db2.gz ASZLXKORPHZSEU-CQSZACIVSA-N 1 3 312.458 0.372 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000342997622 546127977 /nfs/dbraw/zinc/12/79/77/546127977.db2.gz WUBANYARGZMCKC-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615274082 546317335 /nfs/dbraw/zinc/31/73/35/546317335.db2.gz LLOIVHIVOQLTMG-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615274082 546317339 /nfs/dbraw/zinc/31/73/39/546317339.db2.gz LLOIVHIVOQLTMG-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO Nc1nccc([C@@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662277067 546373120 /nfs/dbraw/zinc/37/31/20/546373120.db2.gz NLHIWLBVBXGRET-OLZOCXBDSA-N 1 3 303.410 0.759 20 0 DCADHO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000666627605 546490551 /nfs/dbraw/zinc/49/05/51/546490551.db2.gz RRMSULCSUCRCFL-UHFFFAOYSA-N 1 3 306.410 0.930 20 0 DCADHO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000666627605 546490556 /nfs/dbraw/zinc/49/05/56/546490556.db2.gz RRMSULCSUCRCFL-UHFFFAOYSA-N 1 3 306.410 0.930 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666976782 546538770 /nfs/dbraw/zinc/53/87/70/546538770.db2.gz PDPCLGPNMACWOK-HOCLYGCPSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667156065 546562890 /nfs/dbraw/zinc/56/28/90/546562890.db2.gz OIGOQFPYXIOOHG-WCQYABFASA-N 1 3 324.429 0.679 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000668794430 546847877 /nfs/dbraw/zinc/84/78/77/546847877.db2.gz HIBKLCIYTWGWFR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000668794430 546847880 /nfs/dbraw/zinc/84/78/80/546847880.db2.gz HIBKLCIYTWGWFR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCCN2CC)C1 ZINC000668794430 546847883 /nfs/dbraw/zinc/84/78/83/546847883.db2.gz HIBKLCIYTWGWFR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]1CN(C(=O)NCCN(C)CCCOC)CC[C@H]1[NH3+] ZINC000669498415 546980530 /nfs/dbraw/zinc/98/05/30/546980530.db2.gz SSFRWPJHTMXXRZ-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO COC[C@]1(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCC[NH2+]1 ZINC000669524676 546984934 /nfs/dbraw/zinc/98/49/34/546984934.db2.gz VBRFOWWHYFQPDC-WOSRLPQWSA-N 1 3 310.442 0.679 20 0 DCADHO COC[C@@]1(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CCC[NH2+]1 ZINC000669555715 546991440 /nfs/dbraw/zinc/99/14/40/546991440.db2.gz BOXAAQVRWCQTJB-CJNGLKHVSA-N 1 3 310.442 0.705 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCCO1 ZINC000669570929 546993135 /nfs/dbraw/zinc/99/31/35/546993135.db2.gz RVAMTRZSNJLYLP-KFWWJZLASA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCCO1 ZINC000669570928 546993222 /nfs/dbraw/zinc/99/32/22/546993222.db2.gz RGUGIJFPMFVHEI-PMPSAXMXSA-N 1 3 324.469 0.738 20 0 DCADHO CN(C)CCn1cc(NC(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000671517349 547233788 /nfs/dbraw/zinc/23/37/88/547233788.db2.gz LZINVSGFLBBQMI-UHFFFAOYSA-N 1 3 317.397 0.495 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673524560 547499188 /nfs/dbraw/zinc/49/91/88/547499188.db2.gz YRZYRSQKNXLQHE-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000683822813 548520924 /nfs/dbraw/zinc/52/09/24/548520924.db2.gz UKRUXABBCYQYSV-GJZGRUSLSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000683822813 548520926 /nfs/dbraw/zinc/52/09/26/548520926.db2.gz UKRUXABBCYQYSV-GJZGRUSLSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001668614063 1174813751 /nfs/dbraw/zinc/81/37/51/1174813751.db2.gz JBERHJZNHOFMMB-UHFFFAOYSA-N 1 3 310.442 0.032 20 0 DCADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)O)C[C@]2(C)C1)N(C)C ZINC000982306618 661349257 /nfs/dbraw/zinc/34/92/57/661349257.db2.gz VOLHWUDFZVWWLN-SRABZTEZSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](C[C@@H](C)O)C[C@]2(C)C1)N(C)C ZINC000982306618 661349259 /nfs/dbraw/zinc/34/92/59/661349259.db2.gz VOLHWUDFZVWWLN-SRABZTEZSA-N 1 3 311.470 0.878 20 0 DCADHO C1C[C@H]([C@@H]2COCCN2)[C@@H]([NH2+][C@@H]2CNCC3(CCOCC3)C2)C1 ZINC000925792338 661092084 /nfs/dbraw/zinc/09/20/84/661092084.db2.gz FVUCFASIXUDOJB-QAETUUGQSA-N 1 3 323.481 0.892 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023125981 657538279 /nfs/dbraw/zinc/53/82/79/657538279.db2.gz CHNXEKVLSGWUTC-WQVCFCJDSA-N 1 3 305.422 0.979 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC000971801979 657715785 /nfs/dbraw/zinc/71/57/85/657715785.db2.gz XCHWUQCRQSSDGJ-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971801979 657715789 /nfs/dbraw/zinc/71/57/89/657715789.db2.gz XCHWUQCRQSSDGJ-HUUCEWRRSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001010727467 657748178 /nfs/dbraw/zinc/74/81/78/657748178.db2.gz MUPWACPWFCLCIA-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001010727467 657748185 /nfs/dbraw/zinc/74/81/85/657748185.db2.gz MUPWACPWFCLCIA-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(N)ccn2)CCCO1 ZINC000891857403 657831632 /nfs/dbraw/zinc/83/16/32/657831632.db2.gz AMCUHNOJLGRHQB-CYBMUJFWSA-N 1 3 321.425 0.964 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cc(N)ccn2)CCCO1 ZINC000891857403 657831639 /nfs/dbraw/zinc/83/16/39/657831639.db2.gz AMCUHNOJLGRHQB-CYBMUJFWSA-N 1 3 321.425 0.964 20 0 DCADHO CN1CCN(CCNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1(C)C ZINC000891881317 657871829 /nfs/dbraw/zinc/87/18/29/657871829.db2.gz VSIDUAJTTYFEAP-PBHICJAKSA-N 1 3 323.485 0.596 20 0 DCADHO C[C@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971870436 657935079 /nfs/dbraw/zinc/93/50/79/657935079.db2.gz QLPWFGQHZLPOFY-YPMHNXCESA-N 1 3 315.377 0.354 20 0 DCADHO C[C@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971870432 657935484 /nfs/dbraw/zinc/93/54/84/657935484.db2.gz QLPWFGQHZLPOFY-DGCLKSJQSA-N 1 3 315.377 0.354 20 0 DCADHO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1Cc2ccccc2CN1 ZINC000892001955 658096474 /nfs/dbraw/zinc/09/64/74/658096474.db2.gz YILSRWNUAKSUOY-CJNGLKHVSA-N 1 3 302.422 1.000 20 0 DCADHO CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968680 658104170 /nfs/dbraw/zinc/10/41/70/658104170.db2.gz GSLOKFLFAMBOEM-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968680 658104172 /nfs/dbraw/zinc/10/41/72/658104172.db2.gz GSLOKFLFAMBOEM-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020590457 658165439 /nfs/dbraw/zinc/16/54/39/658165439.db2.gz XCEVYCCQWJTJJO-JUDXGUMMSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020590457 658165445 /nfs/dbraw/zinc/16/54/45/658165445.db2.gz XCEVYCCQWJTJJO-JUDXGUMMSA-N 1 3 306.410 0.918 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)CC[N@@H+]1C ZINC001022596781 658165603 /nfs/dbraw/zinc/16/56/03/658165603.db2.gz TZTRPJSTZUUDKM-XDQVBPFNSA-N 1 3 320.441 0.282 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)CC[N@H+]1C ZINC001022596781 658165609 /nfs/dbraw/zinc/16/56/09/658165609.db2.gz TZTRPJSTZUUDKM-XDQVBPFNSA-N 1 3 320.441 0.282 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020593084 658177880 /nfs/dbraw/zinc/17/78/80/658177880.db2.gz WOOMFEWGLOCDKZ-PWNZVWSESA-N 1 3 320.441 0.233 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020593084 658177881 /nfs/dbraw/zinc/17/78/81/658177881.db2.gz WOOMFEWGLOCDKZ-PWNZVWSESA-N 1 3 320.441 0.233 20 0 DCADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000892180378 658272374 /nfs/dbraw/zinc/27/23/74/658272374.db2.gz NBBMFAKIWOQFST-AWEZNQCLSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)C1 ZINC000969960716 658299188 /nfs/dbraw/zinc/29/91/88/658299188.db2.gz UNAXFFJBZPHVMS-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)C1 ZINC000969960716 658299195 /nfs/dbraw/zinc/29/91/95/658299195.db2.gz UNAXFFJBZPHVMS-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC000969985652 658325659 /nfs/dbraw/zinc/32/56/59/658325659.db2.gz LCABXPJJTKRFKM-KFWWJZLASA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001022711110 658345675 /nfs/dbraw/zinc/34/56/75/658345675.db2.gz SWVWAFMTKMKOTB-MCIONIFRSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001022712308 658352562 /nfs/dbraw/zinc/35/25/62/658352562.db2.gz OUNSQSWFYSLWQE-SOUVJXGZSA-N 1 3 305.426 0.604 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001022712533 658357852 /nfs/dbraw/zinc/35/78/52/658357852.db2.gz SIVJKIMBIMZJQF-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235891 658468929 /nfs/dbraw/zinc/46/89/29/658468929.db2.gz SVYQWYNODOYXNI-HNNXBMFYSA-N 1 3 320.441 0.153 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001024176813 658506682 /nfs/dbraw/zinc/50/66/82/658506682.db2.gz GGBIKCDVDWBSDN-CYBMUJFWSA-N 1 3 316.409 0.714 20 0 DCADHO CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999144420 665585539 /nfs/dbraw/zinc/58/55/39/665585539.db2.gz WFSUXMFVCCXADU-RDVIWEACSA-N 1 3 307.438 0.839 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ncn1 ZINC001020933798 658596416 /nfs/dbraw/zinc/59/64/16/658596416.db2.gz NDDAXXCTQMECMH-HDJSIYSDSA-N 1 3 315.421 0.618 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020933719 658596452 /nfs/dbraw/zinc/59/64/52/658596452.db2.gz LNGSCXFDXQWRBS-HDJSIYSDSA-N 1 3 304.394 0.816 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438608 658623926 /nfs/dbraw/zinc/62/39/26/658623926.db2.gz SAPHEWQVTKLWRB-JKSUJKDBSA-N 1 3 309.454 0.681 20 0 DCADHO COc1ccnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3C)C2)c1 ZINC001021896332 658629787 /nfs/dbraw/zinc/62/97/87/658629787.db2.gz YAHXWZHSZPQODL-ZENOOKHLSA-N 1 3 318.421 0.921 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@@]23CCOC3)C1 ZINC001020981805 658650493 /nfs/dbraw/zinc/65/04/93/658650493.db2.gz NQZUCXXUDWSHDD-AYMQEEERSA-N 1 3 318.421 0.924 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021049965 658730173 /nfs/dbraw/zinc/73/01/73/658730173.db2.gz ZVKSXDBXKVBQIF-SRVKXCTJSA-N 1 3 309.439 0.535 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021049965 658730179 /nfs/dbraw/zinc/73/01/79/658730179.db2.gz ZVKSXDBXKVBQIF-SRVKXCTJSA-N 1 3 309.439 0.535 20 0 DCADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001024983263 658845704 /nfs/dbraw/zinc/84/57/04/658845704.db2.gz OIEWLRCABNJEBG-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999347679 665633864 /nfs/dbraw/zinc/63/38/64/665633864.db2.gz JZWOKKFZLGQLSB-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999347679 665633865 /nfs/dbraw/zinc/63/38/65/665633865.db2.gz JZWOKKFZLGQLSB-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999372704 665634987 /nfs/dbraw/zinc/63/49/87/665634987.db2.gz OZHGQYIQYSPZPM-HIFRSBDPSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999406144 665641363 /nfs/dbraw/zinc/64/13/63/665641363.db2.gz KQQURABLUODXDT-HLIUYOAVSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H](CN1C(=O)N[C@@H](CN2CCCCC2)C1=O)[N@H+](C)C1CC1 ZINC000924582687 659086881 /nfs/dbraw/zinc/08/68/81/659086881.db2.gz NFWAGQOFJPGYKR-JSGCOSHPSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@@H](CN1C(=O)N[C@@H](CN2CCCCC2)C1=O)[N@@H+](C)C1CC1 ZINC000924582687 659086888 /nfs/dbraw/zinc/08/68/88/659086888.db2.gz NFWAGQOFJPGYKR-JSGCOSHPSA-N 1 3 308.426 0.875 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC000999497410 665650327 /nfs/dbraw/zinc/65/03/27/665650327.db2.gz QHUPYAOMMXVQAZ-HUUCEWRRSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974145593 659227862 /nfs/dbraw/zinc/22/78/62/659227862.db2.gz CJKBOELOUIABGI-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000974145593 659227865 /nfs/dbraw/zinc/22/78/65/659227865.db2.gz CJKBOELOUIABGI-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000892688275 659285304 /nfs/dbraw/zinc/28/53/04/659285304.db2.gz VDQQYQLYCDZJTD-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000999597462 665662862 /nfs/dbraw/zinc/66/28/62/665662862.db2.gz PIRDLOLESCKQCQ-STQMWFEESA-N 1 3 308.426 0.069 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000892789116 659457867 /nfs/dbraw/zinc/45/78/67/659457867.db2.gz LCLXEBXLFWWPRB-PMPSAXMXSA-N 1 3 300.406 0.704 20 0 DCADHO C[NH+]1CCC2(CCN2C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000892817125 659469084 /nfs/dbraw/zinc/46/90/84/659469084.db2.gz ADBOWRMMKFKOIE-HUUCEWRRSA-N 1 3 322.453 0.729 20 0 DCADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000892819235 659471315 /nfs/dbraw/zinc/47/13/15/659471315.db2.gz PHLFJNKRGZJPHQ-LSDHHAIUSA-N 1 3 324.469 0.881 20 0 DCADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000892819235 659471317 /nfs/dbraw/zinc/47/13/17/659471317.db2.gz PHLFJNKRGZJPHQ-LSDHHAIUSA-N 1 3 324.469 0.881 20 0 DCADHO [NH3+][C@H]1C[C@@H](NCC2(N3CCOCC3)CCOCC2)C12CCC2 ZINC000925689122 659480416 /nfs/dbraw/zinc/48/04/16/659480416.db2.gz AZHXRVZHKWNWFS-LSDHHAIUSA-N 1 3 309.454 0.727 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001019772530 659610432 /nfs/dbraw/zinc/61/04/32/659610432.db2.gz IQDXIKMLIIBXKK-CABCVRRESA-N 1 3 303.410 0.427 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001019772530 659610433 /nfs/dbraw/zinc/61/04/33/659610433.db2.gz IQDXIKMLIIBXKK-CABCVRRESA-N 1 3 303.410 0.427 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000999846366 665690689 /nfs/dbraw/zinc/69/06/89/665690689.db2.gz CWAPCAFTVMAGCP-CYBMUJFWSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000999846366 665690690 /nfs/dbraw/zinc/69/06/90/665690690.db2.gz CWAPCAFTVMAGCP-CYBMUJFWSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001026901721 659630641 /nfs/dbraw/zinc/63/06/41/659630641.db2.gz SELNLWWVJOUHKO-ZBFHGGJFSA-N 1 3 321.469 0.944 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC000999832261 665695434 /nfs/dbraw/zinc/69/54/34/665695434.db2.gz BONWHGLDESZDII-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC000999875554 665706017 /nfs/dbraw/zinc/70/60/17/665706017.db2.gz GJDXKPSURCHMDE-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC001000187949 665768146 /nfs/dbraw/zinc/76/81/46/665768146.db2.gz YSFFMEWRYBQYMF-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2CCCN(CCCF)CC2)CC1 ZINC000983025154 661742073 /nfs/dbraw/zinc/74/20/73/661742073.db2.gz CEVVREJUUDVSDI-UHFFFAOYSA-N 1 3 315.433 0.991 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925000903 661853769 /nfs/dbraw/zinc/85/37/69/661853769.db2.gz WBXZWUKRQOJGPT-INIZCTEOSA-N 1 3 305.422 0.549 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000925000903 661853771 /nfs/dbraw/zinc/85/37/71/661853771.db2.gz WBXZWUKRQOJGPT-INIZCTEOSA-N 1 3 305.422 0.549 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028985563 661919618 /nfs/dbraw/zinc/91/96/18/661919618.db2.gz MLYBVKKYHFWWNV-CABCVRRESA-N 1 3 319.453 0.618 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985563 661919621 /nfs/dbraw/zinc/91/96/21/661919621.db2.gz MLYBVKKYHFWWNV-CABCVRRESA-N 1 3 319.453 0.618 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCO)C2)c1 ZINC001029001302 661928654 /nfs/dbraw/zinc/92/86/54/661928654.db2.gz UMWNTUUOSPUYRD-HNNXBMFYSA-N 1 3 305.422 0.792 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)c1 ZINC001029001302 661928656 /nfs/dbraw/zinc/92/86/56/661928656.db2.gz UMWNTUUOSPUYRD-HNNXBMFYSA-N 1 3 305.422 0.792 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001000312656 665820905 /nfs/dbraw/zinc/82/09/05/665820905.db2.gz OOJQKOASTQQVSE-ZIAGYGMSSA-N 1 3 306.410 0.959 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000895602750 662197836 /nfs/dbraw/zinc/19/78/36/662197836.db2.gz DHETWDDLGQLDLY-QXSJWSMHSA-N 1 3 324.469 0.567 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1C[NH+](C2CCOCC2)C1 ZINC000895989904 662233328 /nfs/dbraw/zinc/23/33/28/662233328.db2.gz FBBOCTHUNWVVEH-CVEARBPZSA-N 1 3 323.437 0.077 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCOC3)C2)C1 ZINC000984802510 662318291 /nfs/dbraw/zinc/31/82/91/662318291.db2.gz BFWFFDMPTHXXIL-VGWMRTNUSA-N 1 3 309.454 0.849 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1)C1CC1 ZINC000985470149 662463626 /nfs/dbraw/zinc/46/36/26/662463626.db2.gz MEHZDHPFOZJRDK-CABCVRRESA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1)C1CC1 ZINC000985470149 662463627 /nfs/dbraw/zinc/46/36/27/662463627.db2.gz MEHZDHPFOZJRDK-CABCVRRESA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)[C@H]3CCNC3=O)C2)CCC1 ZINC001029755916 662466229 /nfs/dbraw/zinc/46/62/29/662466229.db2.gz PKKZUTWRXCJWKM-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)[C@H]3CCNC3=O)C2)CCC1 ZINC001029755916 662466230 /nfs/dbraw/zinc/46/62/30/662466230.db2.gz PKKZUTWRXCJWKM-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985500108 662469139 /nfs/dbraw/zinc/46/91/39/662469139.db2.gz ZUSLBYDOGBWPIE-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985500108 662469140 /nfs/dbraw/zinc/46/91/40/662469140.db2.gz ZUSLBYDOGBWPIE-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000985500157 662469239 /nfs/dbraw/zinc/46/92/39/662469239.db2.gz AMUWPYNPXHSDJZ-LSDHHAIUSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000985500157 662469240 /nfs/dbraw/zinc/46/92/40/662469240.db2.gz AMUWPYNPXHSDJZ-LSDHHAIUSA-N 1 3 324.469 0.657 20 0 DCADHO CN1CC[C@H]([N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985790782 662513269 /nfs/dbraw/zinc/51/32/69/662513269.db2.gz YMAXFTKYIBWDKH-HNNXBMFYSA-N 1 3 322.453 0.236 20 0 DCADHO CN1CC[C@H]([N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985790782 662513271 /nfs/dbraw/zinc/51/32/71/662513271.db2.gz YMAXFTKYIBWDKH-HNNXBMFYSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985801195 662514703 /nfs/dbraw/zinc/51/47/03/662514703.db2.gz AVTHCTSHAUQHEX-CQSZACIVSA-N 1 3 324.469 0.659 20 0 DCADHO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001029904632 662554338 /nfs/dbraw/zinc/55/43/38/662554338.db2.gz ZTAOSDFYVOTHHT-OAHLLOKOSA-N 1 3 319.453 0.796 20 0 DCADHO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001029904632 662554339 /nfs/dbraw/zinc/55/43/39/662554339.db2.gz ZTAOSDFYVOTHHT-OAHLLOKOSA-N 1 3 319.453 0.796 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCn2cccn2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351595 662585055 /nfs/dbraw/zinc/58/50/55/662585055.db2.gz DBDMLVGKVHFAEX-GDBMZVCRSA-N 1 3 319.453 0.946 20 0 DCADHO CN(C[C@H](O)C[NH+]1CCCC1)CC(C)(C)CN1CCOCC1 ZINC000752088232 662586647 /nfs/dbraw/zinc/58/66/47/662586647.db2.gz XIOPTQQREIEHCR-INIZCTEOSA-N 1 3 313.486 0.733 20 0 DCADHO C[N@H+](C[C@H](O)CN1CCCC1)CC(C)(C)CN1CCOCC1 ZINC000752088232 662586649 /nfs/dbraw/zinc/58/66/49/662586649.db2.gz XIOPTQQREIEHCR-INIZCTEOSA-N 1 3 313.486 0.733 20 0 DCADHO C[N@@H+](C[C@H](O)CN1CCCC1)CC(C)(C)CN1CCOCC1 ZINC000752088232 662586650 /nfs/dbraw/zinc/58/66/50/662586650.db2.gz XIOPTQQREIEHCR-INIZCTEOSA-N 1 3 313.486 0.733 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1)N(C)C ZINC001029972646 662603406 /nfs/dbraw/zinc/60/34/06/662603406.db2.gz LKHYVSJUZMAVFA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1)N(C)C ZINC001029972646 662603407 /nfs/dbraw/zinc/60/34/07/662603407.db2.gz LKHYVSJUZMAVFA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001000592898 665881745 /nfs/dbraw/zinc/88/17/45/665881745.db2.gz GNEXQQCIRATZHK-UKRRQHHQSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]1[C@H](NCc2cncn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986824179 662622354 /nfs/dbraw/zinc/62/23/54/662622354.db2.gz KWJKIOAREYCURH-XJKSGUPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC2CCOCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060146 662639832 /nfs/dbraw/zinc/63/98/32/662639832.db2.gz URKPCXCCXGPWGD-SWLSCSKDSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H]1[C@H](NCCF)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000987166651 662650238 /nfs/dbraw/zinc/65/02/38/662650238.db2.gz HWHBRPKYQDRXDI-TZMCWYRMSA-N 1 3 311.405 0.607 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987521351 662685476 /nfs/dbraw/zinc/68/54/76/662685476.db2.gz CQJKZHREFYBJCQ-HOCLYGCPSA-N 1 3 319.453 0.903 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)CN(C)C1CCC1 ZINC000988956224 662873495 /nfs/dbraw/zinc/87/34/95/662873495.db2.gz PEQLXTKIGLABRH-ZIAGYGMSSA-N 1 3 320.441 0.341 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989071287 662879526 /nfs/dbraw/zinc/87/95/26/662879526.db2.gz NFBLRHFTMUVRDG-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989071287 662879527 /nfs/dbraw/zinc/87/95/27/662879527.db2.gz NFBLRHFTMUVRDG-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729505078 662892125 /nfs/dbraw/zinc/89/21/25/662892125.db2.gz MQYLMDBSOXLGRL-JKSUJKDBSA-N 1 3 324.469 0.833 20 0 DCADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729505071 662892212 /nfs/dbraw/zinc/89/22/12/662892212.db2.gz MQYLMDBSOXLGRL-HOTGVXAUSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccnn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000989492258 662953723 /nfs/dbraw/zinc/95/37/23/662953723.db2.gz LWKLFMQHKYYQFQ-TZMCWYRMSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@@H]1C[C@H](NCCF)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000989544306 662957106 /nfs/dbraw/zinc/95/71/06/662957106.db2.gz QPBBDEHCLGPBQR-OCCSQVGLSA-N 1 3 311.405 0.607 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2)C1CC1 ZINC001040241322 662965814 /nfs/dbraw/zinc/96/58/14/662965814.db2.gz NHGZIOCEGZTYRT-DOTOQJQBSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2)C1CC1 ZINC001040241322 662965815 /nfs/dbraw/zinc/96/58/15/662965815.db2.gz NHGZIOCEGZTYRT-DOTOQJQBSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)CC1 ZINC000989634364 662966695 /nfs/dbraw/zinc/96/66/95/662966695.db2.gz BSTVKZVLWXBAHX-TZMCWYRMSA-N 1 3 310.442 0.171 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989801241 662978163 /nfs/dbraw/zinc/97/81/63/662978163.db2.gz ZSFBWVWNYNFTAL-XJKSGUPXSA-N 1 3 319.453 0.903 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC000990024737 662994970 /nfs/dbraw/zinc/99/49/70/662994970.db2.gz DRVIUUNRCAINGG-JJRVBVJISA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC000990024737 662994971 /nfs/dbraw/zinc/99/49/71/662994971.db2.gz DRVIUUNRCAINGG-JJRVBVJISA-N 1 3 322.453 0.282 20 0 DCADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[N@H+](C)CCO)cc1 ZINC000899740130 663185810 /nfs/dbraw/zinc/18/58/10/663185810.db2.gz DSYJQPZEOFUTHB-MRXNPFEDSA-N 1 3 323.437 0.775 20 0 DCADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[N@@H+](C)CCO)cc1 ZINC000899740130 663185813 /nfs/dbraw/zinc/18/58/13/663185813.db2.gz DSYJQPZEOFUTHB-MRXNPFEDSA-N 1 3 323.437 0.775 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NCC[C@H]2CNCCS2(=O)=O)C1 ZINC000902401962 663412254 /nfs/dbraw/zinc/41/22/54/663412254.db2.gz GHJGNPLNXJCPFD-STQMWFEESA-N 1 3 303.472 0.131 20 0 DCADHO CCOC(=O)C1([C@@H](C)NCc2cn(C)nc2OC)CC[NH2+]CC1 ZINC000902456641 663415371 /nfs/dbraw/zinc/41/53/71/663415371.db2.gz PSQPSYHNRHQIOE-GFCCVEGCSA-N 1 3 324.425 0.840 20 0 DCADHO Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001000920462 665962010 /nfs/dbraw/zinc/96/20/10/665962010.db2.gz RNOSCJIBOPYNIE-CQSZACIVSA-N 1 3 305.426 0.597 20 0 DCADHO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)N2CCNCC2)CCC1 ZINC000903548208 663462410 /nfs/dbraw/zinc/46/24/10/663462410.db2.gz XEEGIURIFQOFEV-ZDUSSCGKSA-N 1 3 316.471 0.120 20 0 DCADHO CN(C)C(=O)N(C)[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767096 663480914 /nfs/dbraw/zinc/48/09/14/663480914.db2.gz UASGAJGSMNJQBP-FMKPAKJESA-N 1 3 310.442 0.443 20 0 DCADHO CC(=O)NC[C@@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903874328 663490830 /nfs/dbraw/zinc/49/08/30/663490830.db2.gz YBNIPGNZZDNAFY-HOTGVXAUSA-N 1 3 321.469 0.694 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN(C)[C@@H](C)CN2CCOCC2)cnn1C ZINC000903909634 663494689 /nfs/dbraw/zinc/49/46/89/663494689.db2.gz GWUAEQYVCQFUPI-HOCLYGCPSA-N 1 3 323.485 0.498 20 0 DCADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000904304994 663507710 /nfs/dbraw/zinc/50/77/10/663507710.db2.gz ANHRMKLJRSRNKT-VQHPVUNQSA-N 1 3 322.497 0.846 20 0 DCADHO CCOC(=O)C1CCN(C(=O)CN(C)C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904317878 663508079 /nfs/dbraw/zinc/50/80/79/663508079.db2.gz ZVQAALZCXYVUCM-XBXGTLAGSA-N 1 3 311.426 0.457 20 0 DCADHO Cc1ccc(S(=O)(=O)NCCN(C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904324748 663508580 /nfs/dbraw/zinc/50/85/80/663508580.db2.gz KVHDJUJAJKYLAC-OKILXGFUSA-N 1 3 311.451 0.942 20 0 DCADHO C[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[C@H]1C[NH3+] ZINC000904409932 663512745 /nfs/dbraw/zinc/51/27/45/663512745.db2.gz BEUWFDDFXQMGBV-ZBFHGGJFSA-N 1 3 318.469 0.645 20 0 DCADHO C[C@@H](CNC(=[NH2+])NC[C@H]1CCCS1)CN1CCN(C)CC1 ZINC000905043484 663525586 /nfs/dbraw/zinc/52/55/86/663525586.db2.gz VMQGHWUGTDWEJL-UONOGXRCSA-N 1 3 313.515 0.879 20 0 DCADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C1(O)CCC1 ZINC000905176011 663539081 /nfs/dbraw/zinc/53/90/81/663539081.db2.gz PLKCGMNJKQGTOG-BZUAXINKSA-N 1 3 312.454 0.620 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC000905338618 663550082 /nfs/dbraw/zinc/55/00/82/663550082.db2.gz IRUKHXMIBTXEMD-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC000905338618 663550084 /nfs/dbraw/zinc/55/00/84/663550084.db2.gz IRUKHXMIBTXEMD-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)N(C)C ZINC001011666384 663843131 /nfs/dbraw/zinc/84/31/31/663843131.db2.gz OBAVMRAPUUVFTK-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)N(C)C ZINC001011666384 663843133 /nfs/dbraw/zinc/84/31/33/663843133.db2.gz OBAVMRAPUUVFTK-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911054391 663973139 /nfs/dbraw/zinc/97/31/39/663973139.db2.gz GWVDEEKEBZAMFG-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000911160508 663995390 /nfs/dbraw/zinc/99/53/90/663995390.db2.gz DLASHVWIHNQXCZ-KBPBESRZSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C1=CCN(C)CC1 ZINC000911219594 664007398 /nfs/dbraw/zinc/00/73/98/664007398.db2.gz PJBCPRPIEAHWPF-DYVFJYSZSA-N 1 3 320.437 0.108 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000911299377 664022132 /nfs/dbraw/zinc/02/21/32/664022132.db2.gz SYRYHPFSOODRHU-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911325920 664028452 /nfs/dbraw/zinc/02/84/52/664028452.db2.gz XXIQAWNDLCXNOG-KHMAMNHCSA-N 1 3 320.437 0.129 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000911325917 664028577 /nfs/dbraw/zinc/02/85/77/664028577.db2.gz XXIQAWNDLCXNOG-FQKPHLNHSA-N 1 3 320.437 0.129 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2C[NH2+]C)C1 ZINC000911338086 664038072 /nfs/dbraw/zinc/03/80/72/664038072.db2.gz XNNLMCXLVASPTP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000911535076 664071058 /nfs/dbraw/zinc/07/10/58/664071058.db2.gz YVYBTNSSBADVNC-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000911535107 664071073 /nfs/dbraw/zinc/07/10/73/664071073.db2.gz ZMSPUUGKAUSBAQ-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NCC3CC[NH2+]CC3)ccc2NC1=O ZINC000911672586 664098795 /nfs/dbraw/zinc/09/87/95/664098795.db2.gz MTTUZYBUNHDKIW-CQSZACIVSA-N 1 3 316.405 0.628 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912373651 664167468 /nfs/dbraw/zinc/16/74/68/664167468.db2.gz FWEMNPOHBVLYDC-MRXNPFEDSA-N 1 3 305.426 0.659 20 0 DCADHO C[C@@H](CNS(=O)(=O)[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000923596480 664827060 /nfs/dbraw/zinc/82/70/60/664827060.db2.gz RKGAZHJCAPPRIG-KBPBESRZSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H]1COC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500695 664926600 /nfs/dbraw/zinc/92/66/00/664926600.db2.gz PMURCZQNEMBSAH-CZUORRHYSA-N 1 3 324.469 0.879 20 0 DCADHO CN1CC[C@@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998120910 665403185 /nfs/dbraw/zinc/40/31/85/665403185.db2.gz SRSRKCOCMTZTDO-CQSZACIVSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000941677809 666040039 /nfs/dbraw/zinc/04/00/39/666040039.db2.gz PNIGNTGJFURYQR-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000941677809 666040041 /nfs/dbraw/zinc/04/00/41/666040041.db2.gz PNIGNTGJFURYQR-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001417482 666049694 /nfs/dbraw/zinc/04/96/94/666049694.db2.gz DVQQPXAZOBBQAX-BPLDGKMQSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001417482 666049695 /nfs/dbraw/zinc/04/96/95/666049695.db2.gz DVQQPXAZOBBQAX-BPLDGKMQSA-N 1 3 324.469 0.419 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000925357457 666344163 /nfs/dbraw/zinc/34/41/63/666344163.db2.gz FJUJJCHPRRPXGP-KBPBESRZSA-N 1 3 308.426 0.877 20 0 DCADHO CCC[N@H+]1CC[C@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000925357457 666344165 /nfs/dbraw/zinc/34/41/65/666344165.db2.gz FJUJJCHPRRPXGP-KBPBESRZSA-N 1 3 308.426 0.877 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004583168 666566734 /nfs/dbraw/zinc/56/67/34/666566734.db2.gz WUACGZUOJIIMHC-OAHLLOKOSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004583168 666566735 /nfs/dbraw/zinc/56/67/35/666566735.db2.gz WUACGZUOJIIMHC-OAHLLOKOSA-N 1 3 306.410 0.648 20 0 DCADHO COCCN1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279680 666659767 /nfs/dbraw/zinc/65/97/67/666659767.db2.gz WCNYREHCGUYEQK-KRIMKBQASA-N 1 3 323.437 0.029 20 0 DCADHO COCCN1CC[C@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279680 666659769 /nfs/dbraw/zinc/65/97/69/666659769.db2.gz WCNYREHCGUYEQK-KRIMKBQASA-N 1 3 323.437 0.029 20 0 DCADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CCN(CCCO)C1 ZINC001033295900 666663947 /nfs/dbraw/zinc/66/39/47/666663947.db2.gz OLQOAWHHSBQXCF-CVEARBPZSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995920094 666720000 /nfs/dbraw/zinc/72/00/00/666720000.db2.gz SGXOCPNIZNARIC-KBPBESRZSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995920094 666720004 /nfs/dbraw/zinc/72/00/04/666720004.db2.gz SGXOCPNIZNARIC-KBPBESRZSA-N 1 3 324.469 0.561 20 0 DCADHO CC1(C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC000996096036 666738383 /nfs/dbraw/zinc/73/83/83/666738383.db2.gz CLJKBYCBNSQQSQ-UKRRQHHQSA-N 1 3 322.453 0.173 20 0 DCADHO CC1(C)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC000996096031 666738397 /nfs/dbraw/zinc/73/83/97/666738397.db2.gz CLJKBYCBNSQQSQ-HIFRSBDPSA-N 1 3 322.453 0.173 20 0 DCADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000996354902 666776148 /nfs/dbraw/zinc/77/61/48/666776148.db2.gz IZOVLKITJCQZIT-GXTWGEPZSA-N 1 3 306.410 0.815 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000996680869 666859340 /nfs/dbraw/zinc/85/93/40/666859340.db2.gz VYLDTLNTSCHBQK-GJZGRUSLSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1)N(C)C ZINC000996710434 666867164 /nfs/dbraw/zinc/86/71/64/666867164.db2.gz DKZOEFSYAXIQHH-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861600384 666948345 /nfs/dbraw/zinc/94/83/45/666948345.db2.gz MNLWQSRGSIIEIV-CYBMUJFWSA-N 1 3 300.447 0.864 20 0 DCADHO [NH3+]CC1(NC(=O)NC[C@H]2NCCc3ccccc32)CCOCC1 ZINC000861644139 666953299 /nfs/dbraw/zinc/95/32/99/666953299.db2.gz XBCXOWKHIKAVCQ-OAHLLOKOSA-N 1 3 318.421 0.681 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996993243 667059559 /nfs/dbraw/zinc/05/95/59/667059559.db2.gz BXDQQDNWPHDMRF-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996993243 667059562 /nfs/dbraw/zinc/05/95/62/667059562.db2.gz BXDQQDNWPHDMRF-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000997041467 667086296 /nfs/dbraw/zinc/08/62/96/667086296.db2.gz KNBOYUAZSAVVPG-DYVFJYSZSA-N 1 3 318.421 0.959 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034882380 667167846 /nfs/dbraw/zinc/16/78/46/667167846.db2.gz WKLJWGCFGYNJNA-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cnnn2C)CC[N@@H+]1C ZINC001034939663 667199735 /nfs/dbraw/zinc/19/97/35/667199735.db2.gz JTNIEMDPYRHSSB-UMVBOHGHSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cnnn2C)CC[N@H+]1C ZINC001034939663 667199736 /nfs/dbraw/zinc/19/97/36/667199736.db2.gz JTNIEMDPYRHSSB-UMVBOHGHSA-N 1 3 320.441 0.236 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001035103113 667239617 /nfs/dbraw/zinc/23/96/17/667239617.db2.gz XQVMIXUEVZYFLG-ZIAGYGMSSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001035103113 667239619 /nfs/dbraw/zinc/23/96/19/667239619.db2.gz XQVMIXUEVZYFLG-ZIAGYGMSSA-N 1 3 320.441 0.536 20 0 DCADHO O=C(CN1CCCC1)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000997306310 667244461 /nfs/dbraw/zinc/24/44/61/667244461.db2.gz CJVYQLMTBOZSEZ-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001035123580 667250921 /nfs/dbraw/zinc/25/09/21/667250921.db2.gz PZEMZVUPAWOIPJ-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001035123580 667250924 /nfs/dbraw/zinc/25/09/24/667250924.db2.gz PZEMZVUPAWOIPJ-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001035125414 667251651 /nfs/dbraw/zinc/25/16/51/667251651.db2.gz HVHDEZAPXDSVSC-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)cn1 ZINC001035125005 667251718 /nfs/dbraw/zinc/25/17/18/667251718.db2.gz BHBGRMREPDFFDY-OAHLLOKOSA-N 1 3 305.426 0.597 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1)C(N)=O ZINC000997366776 667260397 /nfs/dbraw/zinc/26/03/97/667260397.db2.gz KLPQPZWMHUERPY-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+]([C@H](C)C(N)=O)C2)CC1)N(C)C ZINC001035197991 667267150 /nfs/dbraw/zinc/26/71/50/667267150.db2.gz YXDQANAMWIBQHV-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(=O)N1CCC2(CC[N@H+]([C@H](C)C(N)=O)C2)CC1)N(C)C ZINC001035197991 667267153 /nfs/dbraw/zinc/26/71/53/667267153.db2.gz YXDQANAMWIBQHV-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000997394443 667285169 /nfs/dbraw/zinc/28/51/69/667285169.db2.gz WTTRKDHMNLWTGW-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000997394443 667285170 /nfs/dbraw/zinc/28/51/70/667285170.db2.gz WTTRKDHMNLWTGW-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCCc2ccncc2)C1 ZINC000866712443 667389854 /nfs/dbraw/zinc/38/98/54/667389854.db2.gz TTZVOWCUZMAYMP-OWCLPIDISA-N 1 3 316.405 0.881 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866815012 667401729 /nfs/dbraw/zinc/40/17/29/667401729.db2.gz YCJCYNYMHJGNNV-CQSZACIVSA-N 1 3 305.488 0.965 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035725289 667404471 /nfs/dbraw/zinc/40/44/71/667404471.db2.gz MASNOZGJVMELJZ-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035725289 667404473 /nfs/dbraw/zinc/40/44/73/667404473.db2.gz MASNOZGJVMELJZ-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC2(CN(CCO)C2)CC1 ZINC001035855947 667414878 /nfs/dbraw/zinc/41/48/78/667414878.db2.gz DXOHFGWLZMMBBN-UHFFFAOYSA-N 1 3 309.454 0.779 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036196809 667429410 /nfs/dbraw/zinc/42/94/10/667429410.db2.gz WAVVJTIEJMRTBC-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867564832 667468925 /nfs/dbraw/zinc/46/89/25/667468925.db2.gz NMWHYAFZTRRIQV-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867564832 667468926 /nfs/dbraw/zinc/46/89/26/667468926.db2.gz NMWHYAFZTRRIQV-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO Cc1cccc(OC[C@H](O)CN(C)CCN2CC[NH2+]CC2)c1 ZINC000923286584 667496182 /nfs/dbraw/zinc/49/61/82/667496182.db2.gz OURGSRQCJHGFIM-MRXNPFEDSA-N 1 3 307.438 0.572 20 0 DCADHO Cc1ccc(N2CCC[C@H](N(C)[C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)nn1 ZINC000923321032 667506640 /nfs/dbraw/zinc/50/66/40/667506640.db2.gz CEPBVWINDQMBGL-AJNGGQMLSA-N 1 3 305.426 0.536 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868159955 667538294 /nfs/dbraw/zinc/53/82/94/667538294.db2.gz AOARIDWVUPQUDL-QWHCGFSZSA-N 1 3 306.414 0.803 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868159950 667538442 /nfs/dbraw/zinc/53/84/42/667538442.db2.gz AOARIDWVUPQUDL-CHWSQXEVSA-N 1 3 306.414 0.803 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868233731 667546246 /nfs/dbraw/zinc/54/62/46/667546246.db2.gz SYMCVIJDBSAKFH-UONOGXRCSA-N 1 3 304.394 0.460 20 0 DCADHO C[C@@H]1CN(CC(=O)NCc2ccc3c(c2)OCO3)CC[C@H]1C[NH3+] ZINC000923510365 667551284 /nfs/dbraw/zinc/55/12/84/667551284.db2.gz SOYFTHDGIZHHOK-OCCSQVGLSA-N 1 3 319.405 0.948 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884576111 667569220 /nfs/dbraw/zinc/56/92/20/667569220.db2.gz ACQJZXVUZKXAPX-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000884684094 667589104 /nfs/dbraw/zinc/58/91/04/667589104.db2.gz XESWZDOAHOJTEG-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[NH2+]1 ZINC000884718050 667598376 /nfs/dbraw/zinc/59/83/76/667598376.db2.gz TXEFUUYQYBAMHQ-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000884775417 667605740 /nfs/dbraw/zinc/60/57/40/667605740.db2.gz DMKKISRCVXWFSZ-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884786592 667607515 /nfs/dbraw/zinc/60/75/15/667607515.db2.gz RVTZISMPAJPSEO-MJBXVCDLSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884908752 667621313 /nfs/dbraw/zinc/62/13/13/667621313.db2.gz BWGMUAFHQSTFFX-MGPQQGTHSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCNC1=O ZINC000869236799 667640539 /nfs/dbraw/zinc/64/05/39/667640539.db2.gz JJTSIGDLPKZNID-XJKSGUPXSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCNC1=O ZINC000869236799 667640544 /nfs/dbraw/zinc/64/05/44/667640544.db2.gz JJTSIGDLPKZNID-XJKSGUPXSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872263738 667884334 /nfs/dbraw/zinc/88/43/34/667884334.db2.gz CKJYJRZQEHXEEZ-MJBXVCDLSA-N 1 3 324.425 0.143 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=S)NC1CCN(C)CC1 ZINC000753963465 668039309 /nfs/dbraw/zinc/03/93/09/668039309.db2.gz HTAFBVYHQAARSP-CQSZACIVSA-N 1 3 316.515 0.902 20 0 DCADHO CS(=O)(=O)N1CC[C@H](NCc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873214157 668065757 /nfs/dbraw/zinc/06/57/57/668065757.db2.gz ZJMMLNLFYBTPML-NSHDSACASA-N 1 3 315.464 0.517 20 0 DCADHO NC(=O)Cn1cc(CN[C@@H]2CCCCC23CC[NH2+]CC3)nn1 ZINC000873231196 668067555 /nfs/dbraw/zinc/06/75/55/668067555.db2.gz KSNUAHQXWVMBGE-CYBMUJFWSA-N 1 3 306.414 0.165 20 0 DCADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873248560 668068662 /nfs/dbraw/zinc/06/86/62/668068662.db2.gz GKJPYLYETBTURI-KBPBESRZSA-N 1 3 302.378 0.708 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923715430 668175374 /nfs/dbraw/zinc/17/53/74/668175374.db2.gz UGZUBXWHJNNSIH-LSDHHAIUSA-N 1 3 323.462 0.978 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCN1C ZINC000925327061 668297128 /nfs/dbraw/zinc/29/71/28/668297128.db2.gz FCLWPHLKIOUTLR-BZUAXINKSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCN1C ZINC000925327061 668297132 /nfs/dbraw/zinc/29/71/32/668297132.db2.gz FCLWPHLKIOUTLR-BZUAXINKSA-N 1 3 323.485 0.500 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000875307640 668297984 /nfs/dbraw/zinc/29/79/84/668297984.db2.gz AMQNNRBBVARTCG-AWEZNQCLSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000875307640 668297986 /nfs/dbraw/zinc/29/79/86/668297986.db2.gz AMQNNRBBVARTCG-AWEZNQCLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(CCN3CCOCC3)C1)[NH2+]2 ZINC000925499340 668325622 /nfs/dbraw/zinc/32/56/22/668325622.db2.gz XTJOYVRLNIUHMS-CWQOZTLDSA-N 1 3 322.497 0.512 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925556771 668329612 /nfs/dbraw/zinc/32/96/12/668329612.db2.gz LENGNQJUBNDBME-CABCVRRESA-N 1 3 308.470 0.803 20 0 DCADHO Cn1nccc1[C@H]1[C@H](CN[C@H]2C[NH2+]CCOC2)CCCN1C ZINC000925666452 668340150 /nfs/dbraw/zinc/34/01/50/668340150.db2.gz TVYJAMMPDBVQTN-OFQRWUPVSA-N 1 3 307.442 0.381 20 0 DCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCn1cc(C(N)=O)nn1 ZINC000925689053 668341328 /nfs/dbraw/zinc/34/13/28/668341328.db2.gz GBMKXWVCTNLYGN-UBHSHLNASA-N 1 3 320.441 0.523 20 0 DCADHO CCO[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C[NH+](C)C ZINC000926835654 668433764 /nfs/dbraw/zinc/43/37/64/668433764.db2.gz CTZDHCHJDXKGME-GJZGRUSLSA-N 1 3 310.442 0.609 20 0 DCADHO CCO[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)C[NH+](C)C ZINC000926834149 668433890 /nfs/dbraw/zinc/43/38/90/668433890.db2.gz FFSBDABKJIZEFU-HUUCEWRRSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765354847 668485358 /nfs/dbraw/zinc/48/53/58/668485358.db2.gz VTRAGDFMNUGRFG-JKSUJKDBSA-N 1 3 322.497 0.955 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CCCN1C ZINC000876732626 668497612 /nfs/dbraw/zinc/49/76/12/668497612.db2.gz BBFOFBFAJQZHKI-ZIAGYGMSSA-N 1 3 305.426 0.940 20 0 DCADHO Cc1ccc(NC(=O)[C@@H](N)CN(C)C)c(OCC[NH+](C)C)c1 ZINC000876767497 668506152 /nfs/dbraw/zinc/50/61/52/668506152.db2.gz KSLCOLXOMANMKN-ZDUSSCGKSA-N 1 3 308.426 0.763 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876781662 668509963 /nfs/dbraw/zinc/50/99/63/668509963.db2.gz QDGCLVIGLCIRBZ-WBVHZDCISA-N 1 3 308.470 0.662 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876780393 668509974 /nfs/dbraw/zinc/50/99/74/668509974.db2.gz GODXEKWTLOKIMO-KGLIPLIRSA-N 1 3 300.422 0.078 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877192284 668573932 /nfs/dbraw/zinc/57/39/32/668573932.db2.gz KHAFGRGBADVURN-UHFFFAOYSA-N 1 3 305.426 0.827 20 0 DCADHO O[C@H](CN[C@@H]1CCCC[C@@H]1N1CCOCC1)C[NH+]1CCCC1 ZINC000769802244 668662464 /nfs/dbraw/zinc/66/24/64/668662464.db2.gz UAMXFXBKWKCZDT-ZACQAIPSSA-N 1 3 311.470 0.676 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)CC1 ZINC000930916043 669105408 /nfs/dbraw/zinc/10/54/08/669105408.db2.gz LEUXREXIKHVVRB-IPYPFGDCSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](CN1CCOCC1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931287496 669174593 /nfs/dbraw/zinc/17/45/93/669174593.db2.gz YUPSQMWADSWQMG-MRXNPFEDSA-N 1 3 311.470 0.894 20 0 DCADHO CN1C[C@@]2(C)C[NH+](CCC(=O)N3CCN(C)CC3)C[C@]2(C)C1 ZINC000931314422 669177888 /nfs/dbraw/zinc/17/78/88/669177888.db2.gz OJPKZYCKCSDHGH-IRXDYDNUSA-N 1 3 308.470 0.424 20 0 DCADHO CN1CCN(C(=O)CCN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)CC1 ZINC000931314422 669177890 /nfs/dbraw/zinc/17/78/90/669177890.db2.gz OJPKZYCKCSDHGH-IRXDYDNUSA-N 1 3 308.470 0.424 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC000931435803 669203759 /nfs/dbraw/zinc/20/37/59/669203759.db2.gz DDJRNOPWVNLFQO-MCIONIFRSA-N 1 3 301.456 0.151 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3CCN(S(C)(=O)=O)C3)C[C@@H]2C1 ZINC000931435803 669203762 /nfs/dbraw/zinc/20/37/62/669203762.db2.gz DDJRNOPWVNLFQO-MCIONIFRSA-N 1 3 301.456 0.151 20 0 DCADHO Cc1cccc(NCCNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)n1 ZINC000932808367 669423623 /nfs/dbraw/zinc/42/36/23/669423623.db2.gz DZJQQTKHGZPLGF-ZDUSSCGKSA-N 1 3 319.409 0.129 20 0 DCADHO Cc1cccc(NCCNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)n1 ZINC000932808367 669423624 /nfs/dbraw/zinc/42/36/24/669423624.db2.gz DZJQQTKHGZPLGF-ZDUSSCGKSA-N 1 3 319.409 0.129 20 0 DCADHO CS[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1N(C)C ZINC000935111758 669681834 /nfs/dbraw/zinc/68/18/34/669681834.db2.gz RZWKJIYWXRYMNP-KBPBESRZSA-N 1 3 315.483 0.601 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000808781228 670425648 /nfs/dbraw/zinc/42/56/48/670425648.db2.gz BEFPFPANIDBNEF-OAHLLOKOSA-N 1 3 314.474 0.049 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000811874662 670554143 /nfs/dbraw/zinc/55/41/43/670554143.db2.gz FFMWEJKOONKSIX-RBSFLKMASA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000811874662 670554147 /nfs/dbraw/zinc/55/41/47/670554147.db2.gz FFMWEJKOONKSIX-RBSFLKMASA-N 1 3 312.458 0.878 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN(C)C1=O ZINC000855346431 670700949 /nfs/dbraw/zinc/70/09/49/670700949.db2.gz BPDZSPRAOITHMM-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN(C)C1=O ZINC000855346431 670700954 /nfs/dbraw/zinc/70/09/54/670700954.db2.gz BPDZSPRAOITHMM-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000848616883 670706417 /nfs/dbraw/zinc/70/64/17/670706417.db2.gz WSVMFXMQNLEAFS-ZNMIVQPWSA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCc1ccccc1 ZINC000848994435 670746773 /nfs/dbraw/zinc/74/67/73/670746773.db2.gz KCORWLIQVDLXNS-OAHLLOKOSA-N 1 3 317.437 0.901 20 0 DCADHO CCCN1C[C@@H](CNC(=[NH2+])NC[C@H]2CCCN2CC)CC1=O ZINC000849044170 670755288 /nfs/dbraw/zinc/75/52/88/670755288.db2.gz XHWHPOVOECQBHF-ZIAGYGMSSA-N 1 3 309.458 0.843 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nnn(C(C)(C)C)n1 ZINC000849048379 670755631 /nfs/dbraw/zinc/75/56/31/670755631.db2.gz BXYKVIBABKZSJZ-NSHDSACASA-N 1 3 308.434 0.526 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(=O)n(C)cn1 ZINC000888498318 670803091 /nfs/dbraw/zinc/80/30/91/670803091.db2.gz WHXBXGLYKIIYSP-LBPRGKRZSA-N 1 3 324.429 0.174 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(=O)n(C)cn1 ZINC000888498318 670803098 /nfs/dbraw/zinc/80/30/98/670803098.db2.gz WHXBXGLYKIIYSP-LBPRGKRZSA-N 1 3 324.429 0.174 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000817157413 670903720 /nfs/dbraw/zinc/90/37/20/670903720.db2.gz JMLWWILHSWMLGC-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000817157413 670903724 /nfs/dbraw/zinc/90/37/24/670903724.db2.gz JMLWWILHSWMLGC-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO O=C(NC[C@H]1CCCN(CCOC(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000852747079 671154912 /nfs/dbraw/zinc/15/49/12/671154912.db2.gz WZHZIZJHUOVNPP-NEPJUHHUSA-N 1 3 305.369 0.806 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]nc2c1CNCC2 ZINC000852899694 671190069 /nfs/dbraw/zinc/19/00/69/671190069.db2.gz LBVGDOKIIZCSQV-ZIAGYGMSSA-N 1 3 303.410 0.802 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1[nH]nc2c1CNCC2 ZINC000852899694 671190072 /nfs/dbraw/zinc/19/00/72/671190072.db2.gz LBVGDOKIIZCSQV-ZIAGYGMSSA-N 1 3 303.410 0.802 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)=NO1 ZINC000852909277 671193203 /nfs/dbraw/zinc/19/32/03/671193203.db2.gz PUPDGPMTOKMMLM-TZMCWYRMSA-N 1 3 304.350 0.390 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000827309325 671522397 /nfs/dbraw/zinc/52/23/97/671522397.db2.gz GROYZGHCHCMAGC-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000827309325 671522398 /nfs/dbraw/zinc/52/23/98/671522398.db2.gz GROYZGHCHCMAGC-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCCC1 ZINC000827474139 671529045 /nfs/dbraw/zinc/52/90/45/671529045.db2.gz RRTJNELNYWNNDA-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000828956293 671564167 /nfs/dbraw/zinc/56/41/67/671564167.db2.gz LRLJARSZXTUBDY-OAHLLOKOSA-N 1 3 301.406 0.694 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000831127204 671655071 /nfs/dbraw/zinc/65/50/71/671655071.db2.gz GKCGWCOPMJVAKU-HOTGVXAUSA-N 1 3 318.421 0.808 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(F)(F)F ZINC000841334156 671926161 /nfs/dbraw/zinc/92/61/61/671926161.db2.gz CIGRMOYRTKUZBP-VWYCJHECSA-N 1 3 324.347 0.429 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000841790103 671955600 /nfs/dbraw/zinc/95/56/00/671955600.db2.gz UWKYCRINQKFWRB-YIDVYQOGSA-N 1 3 322.453 0.537 20 0 DCADHO CC1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000841791212 671956195 /nfs/dbraw/zinc/95/61/95/671956195.db2.gz POEKEBAGWACFLO-UONOGXRCSA-N 1 3 310.442 0.539 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000841846549 671959509 /nfs/dbraw/zinc/95/95/09/671959509.db2.gz PQCPUKCFMFXSPI-JSGCOSHPSA-N 1 3 307.394 0.580 20 0 DCADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1NCCc2ccccc21 ZINC000841851857 671960153 /nfs/dbraw/zinc/96/01/53/671960153.db2.gz ZDYHHYZZBCQDMG-HOCLYGCPSA-N 1 3 303.406 0.758 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CCCCC1 ZINC000842015183 671974310 /nfs/dbraw/zinc/97/43/10/671974310.db2.gz HLOWMWZNJKWDKI-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CCCCC1 ZINC000842016021 671974912 /nfs/dbraw/zinc/97/49/12/671974912.db2.gz QNUIWBCLIMPVCE-YOEHRIQHSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCCC[NH+]1CCCC1 ZINC000844034092 672140418 /nfs/dbraw/zinc/14/04/18/672140418.db2.gz JLZMFJLEMOZMGJ-HNNXBMFYSA-N 1 3 324.469 0.831 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)c2[nH]nc3c2CNCC3)c(F)c1 ZINC000846693627 672338050 /nfs/dbraw/zinc/33/80/50/672338050.db2.gz LIAOFPSQBXIQIU-UHFFFAOYSA-N 1 3 303.341 0.583 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892578800 685431914 /nfs/dbraw/zinc/43/19/14/685431914.db2.gz WKZOGXZMXULURV-HDJSIYSDSA-N 1 3 305.426 0.892 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026492509 693871295 /nfs/dbraw/zinc/87/12/95/693871295.db2.gz OJWNBOCPNCXUIN-JXQTWKCFSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954323536 685995258 /nfs/dbraw/zinc/99/52/58/685995258.db2.gz YXOWYGQNIPTNSM-ZIAGYGMSSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954323536 685995260 /nfs/dbraw/zinc/99/52/60/685995260.db2.gz YXOWYGQNIPTNSM-ZIAGYGMSSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC000955338220 686370470 /nfs/dbraw/zinc/37/04/70/686370470.db2.gz BCAZQLDVWVSPEL-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC000955338220 686370479 /nfs/dbraw/zinc/37/04/79/686370479.db2.gz BCAZQLDVWVSPEL-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC000960137411 688308853 /nfs/dbraw/zinc/30/88/53/688308853.db2.gz VIHHZRFLCFHHJA-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962299545 688876575 /nfs/dbraw/zinc/87/65/75/688876575.db2.gz RLQTTZLOQPNGPX-FICVDOATSA-N 1 3 315.421 0.025 20 0 DCADHO COc1cc(CNCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC000962700941 688968029 /nfs/dbraw/zinc/96/80/29/688968029.db2.gz GKFQOYLXWTYLAR-CPCZMJQVSA-N 1 3 322.409 0.619 20 0 DCADHO COc1cc(CNCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC000962700941 688968030 /nfs/dbraw/zinc/96/80/30/688968030.db2.gz GKFQOYLXWTYLAR-CPCZMJQVSA-N 1 3 322.409 0.619 20 0 DCADHO NC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC001039311576 694336796 /nfs/dbraw/zinc/33/67/96/694336796.db2.gz IFZZHTQJRHLTQB-AGUYFDCRSA-N 1 3 308.426 0.069 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC000967895225 690114857 /nfs/dbraw/zinc/11/48/57/690114857.db2.gz HANIBSLHSRPFKF-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n[nH]1 ZINC000968728129 690379645 /nfs/dbraw/zinc/37/96/45/690379645.db2.gz FCQAKVKBCCZOJR-RAIGVLPGSA-N 1 3 306.414 0.144 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n[nH]1 ZINC000968728129 690379650 /nfs/dbraw/zinc/37/96/50/690379650.db2.gz FCQAKVKBCCZOJR-RAIGVLPGSA-N 1 3 306.414 0.144 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000968851244 690405196 /nfs/dbraw/zinc/40/51/96/690405196.db2.gz PNAWAPKFVYHADK-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000968851244 690405199 /nfs/dbraw/zinc/40/51/99/690405199.db2.gz PNAWAPKFVYHADK-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015324715 692264415 /nfs/dbraw/zinc/26/44/15/692264415.db2.gz PMZVJODZQVBVQG-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001015324715 692264419 /nfs/dbraw/zinc/26/44/19/692264419.db2.gz PMZVJODZQVBVQG-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO COC[C@@H](C)N1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826814 692458680 /nfs/dbraw/zinc/45/86/80/692458680.db2.gz JJDIPFOPHBJAQQ-UKRRQHHQSA-N 1 3 323.441 0.284 20 0 DCADHO COCC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016819312 692778041 /nfs/dbraw/zinc/77/80/41/692778041.db2.gz JKCSCQDSKSIAOU-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)C2)CC[N@@H+]1C ZINC001018873111 693269837 /nfs/dbraw/zinc/26/98/37/693269837.db2.gz LPUOCHWOZAAQRX-MELADBBJSA-N 1 3 320.441 0.534 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3n[nH]c(C)n3)C2)CC[N@H+]1C ZINC001018873111 693269838 /nfs/dbraw/zinc/26/98/38/693269838.db2.gz LPUOCHWOZAAQRX-MELADBBJSA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971536 693301941 /nfs/dbraw/zinc/30/19/41/693301941.db2.gz FOQMNRGXRQHSRB-HNNXBMFYSA-N 1 3 319.453 0.903 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2cncn2C)C1)[NH+](C)C ZINC001019000589 693315923 /nfs/dbraw/zinc/31/59/23/693315923.db2.gz DFBRFQWSGRBCPS-ZFWWWQNUSA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001019166665 693375695 /nfs/dbraw/zinc/37/56/95/693375695.db2.gz NCTFDIYJXQEZOL-KRIMKBQASA-N 1 3 307.438 0.696 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019322768 693432486 /nfs/dbraw/zinc/43/24/86/693432486.db2.gz HERBISNAIPPTQY-INIZCTEOSA-N 1 3 319.453 0.761 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001019560513 693522541 /nfs/dbraw/zinc/52/25/41/693522541.db2.gz JWYJNGKMJPGLIP-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001019810737 693591551 /nfs/dbraw/zinc/59/15/51/693591551.db2.gz HGBBYROKIDLMJF-WFASDCNBSA-N 1 3 318.421 0.426 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)[C@@H]1C)N(C)C ZINC001074709414 694918379 /nfs/dbraw/zinc/91/83/79/694918379.db2.gz BACILDMLTKQZHT-ZQDZILKHSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3ccnn3C)[C@@H]2C)C1 ZINC001074878154 694927991 /nfs/dbraw/zinc/92/79/91/694927991.db2.gz CVDVDMNWLQARCV-YCPHGPKFSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3ccnn3C)[C@@H]2C)C1 ZINC001074878154 694927992 /nfs/dbraw/zinc/92/79/92/694927992.db2.gz CVDVDMNWLQARCV-YCPHGPKFSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CN1CCC(C)CC1 ZINC001074993609 694933891 /nfs/dbraw/zinc/93/38/91/694933891.db2.gz PLSSTPVSWJNRBT-SOUVJXGZSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CCn3cccn3)C2)CCC1 ZINC001570564233 1162544804 /nfs/dbraw/zinc/54/48/04/1162544804.db2.gz RSSNTGSDOGSYSG-UHFFFAOYSA-N 1 3 319.453 0.852 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCF ZINC001571597767 1162842212 /nfs/dbraw/zinc/84/22/12/1162842212.db2.gz TUPCEHZFJOWALT-ZIAGYGMSSA-N 1 3 303.422 0.629 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(CCOCC(F)F)C2)C1 ZINC001691171575 1157605306 /nfs/dbraw/zinc/60/53/06/1157605306.db2.gz WTXARFCIFQENNW-QWHCGFSZSA-N 1 3 319.396 0.658 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(CCOCC(F)F)C2)C1 ZINC001691171575 1157605308 /nfs/dbraw/zinc/60/53/08/1157605308.db2.gz WTXARFCIFQENNW-QWHCGFSZSA-N 1 3 319.396 0.658 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001720143282 1158148472 /nfs/dbraw/zinc/14/84/72/1158148472.db2.gz FAXCJUQKDVXESK-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001720143282 1158148474 /nfs/dbraw/zinc/14/84/74/1158148474.db2.gz FAXCJUQKDVXESK-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(c1ccc2c(c1)OCCNC2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001649039223 1158616027 /nfs/dbraw/zinc/61/60/27/1158616027.db2.gz ZTKCATIKTISBEI-OAHLLOKOSA-N 1 3 319.405 0.355 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001721365079 1158943296 /nfs/dbraw/zinc/94/32/96/1158943296.db2.gz GXBSIGKLSCDCBS-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001447455354 1159645588 /nfs/dbraw/zinc/64/55/88/1159645588.db2.gz RCZWSLBNBULZQQ-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001447455354 1159645593 /nfs/dbraw/zinc/64/55/93/1159645593.db2.gz RCZWSLBNBULZQQ-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001567641874 1160444983 /nfs/dbraw/zinc/44/49/83/1160444983.db2.gz WMJHABYXAKUSGA-AWEZNQCLSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CC(N)=O ZINC001567643877 1160447321 /nfs/dbraw/zinc/44/73/21/1160447321.db2.gz ZXOXRIOYXCBPQF-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CC(N)=O ZINC001567643877 1160447322 /nfs/dbraw/zinc/44/73/22/1160447322.db2.gz ZXOXRIOYXCBPQF-LSDHHAIUSA-N 1 3 324.469 0.705 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)NC ZINC001568859191 1160822045 /nfs/dbraw/zinc/82/20/45/1160822045.db2.gz YAAJOFNDZRWXBM-HLMASZERSA-N 1 3 310.442 0.257 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)NC ZINC001568859191 1160822053 /nfs/dbraw/zinc/82/20/53/1160822053.db2.gz YAAJOFNDZRWXBM-HLMASZERSA-N 1 3 310.442 0.257 20 0 DCADHO C[C@H](C[NH2+]CCCO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001569019019 1160919550 /nfs/dbraw/zinc/91/95/50/1160919550.db2.gz ITORRVAFXLLTKH-IUODEOHRSA-N 1 3 303.422 0.676 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)NC3C[NH2+]C3)cc2)CC1 ZINC001573884472 1163577123 /nfs/dbraw/zinc/57/71/23/1163577123.db2.gz GZWVDKKEOYUBSY-UHFFFAOYSA-N 1 3 317.437 0.205 20 0 DCADHO CC(C)C[C@@H](CNCc1c[nH]nn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575360376 1163988591 /nfs/dbraw/zinc/98/85/91/1163988591.db2.gz HUMHECCWPLLHQC-KGLIPLIRSA-N 1 3 322.457 0.767 20 0 DCADHO CC(C)C[C@@H](CNCc1c[nH]nn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575360376 1163988594 /nfs/dbraw/zinc/98/85/94/1163988594.db2.gz HUMHECCWPLLHQC-KGLIPLIRSA-N 1 3 322.457 0.767 20 0 DCADHO C[C@H](CCCNCc1cn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575532064 1164050126 /nfs/dbraw/zinc/05/01/26/1164050126.db2.gz XOKORVHNFSKOKP-YRGRVCCFSA-N 1 3 308.430 0.519 20 0 DCADHO C[C@H](CCCNCc1cn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575532064 1164050132 /nfs/dbraw/zinc/05/01/32/1164050132.db2.gz XOKORVHNFSKOKP-YRGRVCCFSA-N 1 3 308.430 0.519 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NCc1c[nH]nn1 ZINC001575553089 1164058735 /nfs/dbraw/zinc/05/87/35/1164058735.db2.gz OODWYGVWPLFKKE-ZDUSSCGKSA-N 1 3 320.441 0.617 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC001575681680 1164102616 /nfs/dbraw/zinc/10/26/16/1164102616.db2.gz IBFUPSFHUZIYSG-GJZGRUSLSA-N 1 3 310.446 0.075 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC001575681680 1164102621 /nfs/dbraw/zinc/10/26/21/1164102621.db2.gz IBFUPSFHUZIYSG-GJZGRUSLSA-N 1 3 310.446 0.075 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1CCc1cn[nH]n1 ZINC001576020130 1164211745 /nfs/dbraw/zinc/21/17/45/1164211745.db2.gz ILSVHCYMHFROAD-HIFRSBDPSA-N 1 3 322.457 0.658 20 0 DCADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001576311866 1164298395 /nfs/dbraw/zinc/29/83/95/1164298395.db2.gz UGJRSKFBRSWZGP-INMHGKMJSA-N 1 3 319.449 0.938 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCCCC[NH3+] ZINC001576575485 1164400928 /nfs/dbraw/zinc/40/09/28/1164400928.db2.gz ZZTMAWQCRVQGLQ-CYBMUJFWSA-N 1 3 313.446 0.267 20 0 DCADHO CC[NH+](CC)CCNC(=O)CNCCNC(=O)OC(C)(C)C ZINC001577691540 1164767957 /nfs/dbraw/zinc/76/79/57/1164767957.db2.gz YRQGMDYCQJDLEP-UHFFFAOYSA-N 1 3 316.446 0.559 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC001578418498 1165007367 /nfs/dbraw/zinc/00/73/67/1165007367.db2.gz AJWXMYBXMZAICP-MELADBBJSA-N 1 3 320.441 0.954 20 0 DCADHO CN(C[C@@H](O)C[NH3+])C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001578442241 1165018952 /nfs/dbraw/zinc/01/89/52/1165018952.db2.gz QGRDZZRLRIHULP-CABCVRRESA-N 1 3 306.410 0.072 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1C[NH2+]CCN1C)Cc1ccco1 ZINC001578466726 1165024996 /nfs/dbraw/zinc/02/49/96/1165024996.db2.gz SNYNPIMZGCCUBZ-HNNXBMFYSA-N 1 3 308.426 0.464 20 0 DCADHO CN1C[C@@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)OC1=O ZINC001578520923 1165040741 /nfs/dbraw/zinc/04/07/41/1165040741.db2.gz IYRVWNQFBWPEFJ-ZNMIVQPWSA-N 1 3 308.426 0.338 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC001578528468 1165044643 /nfs/dbraw/zinc/04/46/43/1165044643.db2.gz HWPNICAAPYOLSA-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001578529086 1165047054 /nfs/dbraw/zinc/04/70/54/1165047054.db2.gz PHQNQHZBKHWHNZ-GRDNDAEWSA-N 1 3 309.454 0.849 20 0 DCADHO CN1CCN(CC2CN(C(=O)CC[C@@H]3COC(C)(C)[NH2+]3)C2)CC1 ZINC001578533797 1165051251 /nfs/dbraw/zinc/05/12/51/1165051251.db2.gz YPWRRYFTFCJPNB-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO COCC[C@@H]([NH3+])CNC[C@@H](O)CN1CCc2ccccc2C1 ZINC001579002397 1165185625 /nfs/dbraw/zinc/18/56/25/1165185625.db2.gz BIOZEVPLRMJYRK-IAGOWNOFSA-N 1 3 307.438 0.359 20 0 DCADHO COCC[NH+](CCOC)C1CCN(C[C@H]2CNCCO2)CC1 ZINC001579033281 1165192285 /nfs/dbraw/zinc/19/22/85/1165192285.db2.gz UCTXSMUTQVIYNZ-MRXNPFEDSA-N 1 3 315.458 0.034 20 0 DCADHO COc1cccc(CN(CCN(C)C)C(=O)C[C@@H](O)C[NH3+])c1 ZINC001579277902 1165259836 /nfs/dbraw/zinc/25/98/36/1165259836.db2.gz QRYGKPVJDYSFHL-CQSZACIVSA-N 1 3 309.410 0.295 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(C[NH3+])cc2)C1 ZINC001579347048 1165281129 /nfs/dbraw/zinc/28/11/29/1165281129.db2.gz ZJMFCAUXQWIOSX-HNNXBMFYSA-N 1 3 311.451 0.907 20 0 DCADHO NCc1cn([C@H]2CCC[N@H+](C[C@H](O)CC3(O)CCCC3)C2)nn1 ZINC001580349053 1165578927 /nfs/dbraw/zinc/57/89/27/1165578927.db2.gz GGBSDGWMPNVLBE-LSDHHAIUSA-N 1 3 323.441 0.430 20 0 DCADHO NCc1cn([C@H]2CCC[N@@H+](C[C@H](O)CC3(O)CCCC3)C2)nn1 ZINC001580349053 1165578932 /nfs/dbraw/zinc/57/89/32/1165578932.db2.gz GGBSDGWMPNVLBE-LSDHHAIUSA-N 1 3 323.441 0.430 20 0 DCADHO Nc1nnc([C@@H]2CCCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)o1 ZINC001580473078 1165614764 /nfs/dbraw/zinc/61/47/64/1165614764.db2.gz MKIAZARJTFOWCV-TYNCELHUSA-N 1 3 307.398 0.600 20 0 DCADHO O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001580589206 1165647217 /nfs/dbraw/zinc/64/72/17/1165647217.db2.gz AMIZNDIQGAVMCP-HRCADAONSA-N 1 3 309.454 0.585 20 0 DCADHO O=c1[nH]c2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2[nH]1 ZINC001580876906 1165749570 /nfs/dbraw/zinc/74/95/70/1165749570.db2.gz ZMRYTPPSOAMBNN-ZDUSSCGKSA-N 1 3 301.394 0.748 20 0 DCADHO O[C@H](CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)CC1(O)CCOCC1 ZINC001580877986 1165749595 /nfs/dbraw/zinc/74/95/95/1165749595.db2.gz ISORNRINJIRSMW-HRCADAONSA-N 1 3 312.454 0.743 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001585360396 1166422232 /nfs/dbraw/zinc/42/22/32/1166422232.db2.gz ZYPUMUIXMGHLGC-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]([NH3+])C1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589912894 1166718704 /nfs/dbraw/zinc/71/87/04/1166718704.db2.gz LYUCNIGEJVOONJ-NHYWBVRUSA-N 1 3 316.409 0.959 20 0 DCADHO C[C@H]([NH3+])C1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589912894 1166718712 /nfs/dbraw/zinc/71/87/12/1166718712.db2.gz LYUCNIGEJVOONJ-NHYWBVRUSA-N 1 3 316.409 0.959 20 0 DCADHO CN1CCN(CC2CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001645987351 1172207150 /nfs/dbraw/zinc/20/71/50/1172207150.db2.gz CRINPMOCQIATOB-UHFFFAOYSA-N 1 3 306.454 0.321 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCNC3=O)CC2)CC1 ZINC001646127494 1172263888 /nfs/dbraw/zinc/26/38/88/1172263888.db2.gz SZIDVKYANPQCCO-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001646173640 1172279047 /nfs/dbraw/zinc/27/90/47/1172279047.db2.gz XZXIQXZJGVUXTA-GXTWGEPZSA-N 1 3 320.393 0.399 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C[C@H](O)C[NH3+])c1cccc(OC)c1 ZINC001646735236 1172499269 /nfs/dbraw/zinc/49/92/69/1172499269.db2.gz BWHPVASWVJYMHA-HOCLYGCPSA-N 1 3 323.437 0.904 20 0 DCADHO C[C@@H]1NCCN(C(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)[C@H]1C ZINC001646748091 1172507412 /nfs/dbraw/zinc/50/74/12/1172507412.db2.gz ZWZVWPSFFBPTMG-MJVIPROJSA-N 1 3 316.405 0.721 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001647109526 1172680366 /nfs/dbraw/zinc/68/03/66/1172680366.db2.gz XXUMANYIYPGGMD-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C(CN1CCC(c2nnc3n2CCC3)CC1)N1CC[NH2+]CC1 ZINC001649858078 1173264746 /nfs/dbraw/zinc/26/47/46/1173264746.db2.gz YFUJAYFNYXHSIM-UHFFFAOYSA-N 1 3 304.442 0.309 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCOC1 ZINC001649887264 1173283501 /nfs/dbraw/zinc/28/35/01/1173283501.db2.gz SYUSGYJHLIHNEW-UONOGXRCSA-N 1 3 300.447 0.594 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCOC1 ZINC001649887264 1173283502 /nfs/dbraw/zinc/28/35/02/1173283502.db2.gz SYUSGYJHLIHNEW-UONOGXRCSA-N 1 3 300.447 0.594 20 0 DCADHO Cn1ncc(C[NH3+])c1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC001649957871 1173337745 /nfs/dbraw/zinc/33/77/45/1173337745.db2.gz AJBREFVQSUWJQD-AWEZNQCLSA-N 1 3 315.377 0.792 20 0 DCADHO C[S@](=O)C1(C(=O)Nc2ccc3c(c2)CNC3)CC[NH2+]CC1 ZINC001649961119 1173340178 /nfs/dbraw/zinc/34/01/78/1173340178.db2.gz OSENTOPAACEEQC-NRFANRHFSA-N 1 3 307.419 0.729 20 0 DCADHO C[C@@H]1C[C@H](NCCc2nnc3c(=O)n(C)ccn23)CC[N@@H+]1C ZINC001649990163 1173363126 /nfs/dbraw/zinc/36/31/26/1173363126.db2.gz XHZVYYSWIFANPY-VXGBXAGGSA-N 1 3 304.398 0.043 20 0 DCADHO C[C@@H]1C[C@H](NCCc2nnc3c(=O)n(C)ccn23)CC[N@H+]1C ZINC001649990163 1173363134 /nfs/dbraw/zinc/36/31/34/1173363134.db2.gz XHZVYYSWIFANPY-VXGBXAGGSA-N 1 3 304.398 0.043 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001649996454 1173364731 /nfs/dbraw/zinc/36/47/31/1173364731.db2.gz RWEYZZPVNXLWDN-KBPBESRZSA-N 1 3 311.474 0.534 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC001650183398 1173503732 /nfs/dbraw/zinc/50/37/32/1173503732.db2.gz PFGLCMHLVTXAFF-QAALLOGESA-N 1 3 308.426 0.419 20 0 DCADHO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC001650337336 1173574790 /nfs/dbraw/zinc/57/47/90/1173574790.db2.gz BFRSYTYJBRUFPI-FZMZJTMJSA-N 1 3 316.405 0.580 20 0 DCADHO C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC001650337336 1173574795 /nfs/dbraw/zinc/57/47/95/1173574795.db2.gz BFRSYTYJBRUFPI-FZMZJTMJSA-N 1 3 316.405 0.580 20 0 DCADHO COCCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)OCCNC2 ZINC001650346917 1173583077 /nfs/dbraw/zinc/58/30/77/1173583077.db2.gz RUUOUBJCLDMVEY-UHFFFAOYSA-N 1 3 321.421 0.819 20 0 DCADHO N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001650352385 1173587645 /nfs/dbraw/zinc/58/76/45/1173587645.db2.gz AGVGHPZLRCPLRY-UONOGXRCSA-N 1 3 302.378 0.142 20 0 DCADHO [NH3+]CC1(NC(=O)c2ccc3c(c2)OCCNC3)CCOCC1 ZINC001650371107 1173598955 /nfs/dbraw/zinc/59/89/55/1173598955.db2.gz DJBFDEZZAZZAAW-UHFFFAOYSA-N 1 3 305.378 0.406 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc2c1CNC2 ZINC001650385254 1173607489 /nfs/dbraw/zinc/60/74/89/1173607489.db2.gz WJKBLFKMLHCLBV-CQSZACIVSA-N 1 3 302.378 0.487 20 0 DCADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001650395770 1173616677 /nfs/dbraw/zinc/61/66/77/1173616677.db2.gz KAGWEDWTHJMMFS-SRVKXCTJSA-N 1 3 316.409 0.441 20 0 DCADHO CN(CC[NH2+]CCCO[C@H]1CCOC1)C(=O)[C@@H]1CCCN1C ZINC001663856082 1174363120 /nfs/dbraw/zinc/36/31/20/1174363120.db2.gz OWPKVMHUXWARCA-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001664190623 1174406919 /nfs/dbraw/zinc/40/69/19/1174406919.db2.gz ITUCKRCAIMWJLX-QWRGUYRKSA-N 1 3 313.364 0.688 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001667034860 1174657937 /nfs/dbraw/zinc/65/79/37/1174657937.db2.gz ZOGKCSOYRCLYOX-IUODEOHRSA-N 1 3 324.473 0.672 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1C[C@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001668566580 1174809934 /nfs/dbraw/zinc/80/99/34/1174809934.db2.gz KCXHQKCYSHQGQA-BBRMVZONSA-N 1 3 306.410 0.817 20 0 DCADHO COCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001669664855 1174942538 /nfs/dbraw/zinc/94/25/38/1174942538.db2.gz NMSSQJTXJDGULL-WFASDCNBSA-N 1 3 303.422 0.940 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001672901193 1175160064 /nfs/dbraw/zinc/16/00/64/1175160064.db2.gz BQTSUCQHQPZLKV-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001676588881 1175464804 /nfs/dbraw/zinc/46/48/04/1175464804.db2.gz VBZMPMQVIOVECN-KGLIPLIRSA-N 1 3 303.422 0.676 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001689339687 1176835575 /nfs/dbraw/zinc/83/55/75/1176835575.db2.gz UZPPYKFDBRVROF-AFJNRPGYSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001689339687 1176835582 /nfs/dbraw/zinc/83/55/82/1176835582.db2.gz UZPPYKFDBRVROF-AFJNRPGYSA-N 1 3 310.442 0.067 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001690740673 1177315625 /nfs/dbraw/zinc/31/56/25/1177315625.db2.gz BUBGJUZCZMUEHZ-ZDUSSCGKSA-N 1 3 321.425 0.307 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCc1ccc(CC[NH2+]CCO)cc1 ZINC001690798642 1177327434 /nfs/dbraw/zinc/32/74/34/1177327434.db2.gz UQDRQYKHBFXXOL-UHFFFAOYSA-N 1 3 316.405 0.701 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)nn1C ZINC001699166360 1177904663 /nfs/dbraw/zinc/90/46/63/1177904663.db2.gz UJWCLOGXCKSMOT-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1C ZINC001699166360 1177904669 /nfs/dbraw/zinc/90/46/69/1177904669.db2.gz UJWCLOGXCKSMOT-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001699432626 1178135854 /nfs/dbraw/zinc/13/58/54/1178135854.db2.gz ASICRFQPPXBENC-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001703222661 1179402741 /nfs/dbraw/zinc/40/27/41/1179402741.db2.gz LSQJNLWIVWEVGQ-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001703222661 1179402743 /nfs/dbraw/zinc/40/27/43/1179402743.db2.gz LSQJNLWIVWEVGQ-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001703224654 1179404371 /nfs/dbraw/zinc/40/43/71/1179404371.db2.gz JQXVMHGXTVXWMF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001703224654 1179404377 /nfs/dbraw/zinc/40/43/77/1179404377.db2.gz JQXVMHGXTVXWMF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001713355208 1180783324 /nfs/dbraw/zinc/78/33/24/1180783324.db2.gz IFTAAAFHIYWBRK-CYBMUJFWSA-N 1 3 319.409 0.013 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@H]2CCc3ncnn32)CCC1 ZINC001714715508 1181500076 /nfs/dbraw/zinc/50/00/76/1181500076.db2.gz KBNAHGZTLVXDEJ-CYBMUJFWSA-N 1 3 320.441 0.298 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(OC)nc1)N(C)C ZINC001714784879 1181544494 /nfs/dbraw/zinc/54/44/94/1181544494.db2.gz OEDBHKCCZOBWLJ-AWEZNQCLSA-N 1 3 308.426 0.978 20 0 DCADHO CCN(CC[NH2+]CCn1nc(C)cc1C)C(=O)Cc1c[nH]cn1 ZINC001715760403 1181980722 /nfs/dbraw/zinc/98/07/22/1181980722.db2.gz XWDOFJFKAHXOFV-UHFFFAOYSA-N 1 3 318.425 0.904 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCN(C)C1=O ZINC001716294059 1182311249 /nfs/dbraw/zinc/31/12/49/1182311249.db2.gz PHXAFZSRZSTLLX-SSBHQGKESA-N 1 3 322.453 0.352 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCN(C)C1=O ZINC001716294059 1182311251 /nfs/dbraw/zinc/31/12/51/1182311251.db2.gz PHXAFZSRZSTLLX-SSBHQGKESA-N 1 3 322.453 0.352 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001716297157 1182313278 /nfs/dbraw/zinc/31/32/78/1182313278.db2.gz XLQAMVNLVCRVFS-ITNBDLGZSA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001716297157 1182313281 /nfs/dbraw/zinc/31/32/81/1182313281.db2.gz XLQAMVNLVCRVFS-ITNBDLGZSA-N 1 3 324.469 0.455 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716336292 1182343199 /nfs/dbraw/zinc/34/31/99/1182343199.db2.gz HOGAIXIJAKTJTP-MGFMJIJDSA-N 1 3 310.442 0.113 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716336292 1182343201 /nfs/dbraw/zinc/34/32/01/1182343201.db2.gz HOGAIXIJAKTJTP-MGFMJIJDSA-N 1 3 310.442 0.113 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCCCN1C ZINC001716549263 1182436588 /nfs/dbraw/zinc/43/65/88/1182436588.db2.gz UGTZHINXMJYVPY-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CCO)C2CC2)c1 ZINC001716631763 1182471446 /nfs/dbraw/zinc/47/14/46/1182471446.db2.gz NOVHOPXNXYNEIF-INIZCTEOSA-N 1 3 305.422 0.839 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001716784923 1182525097 /nfs/dbraw/zinc/52/50/97/1182525097.db2.gz NREFQKPDPNBFIC-HOTGVXAUSA-N 1 3 321.469 0.883 20 0 DCADHO COCCC[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C(C)C)C1 ZINC001717260572 1182755279 /nfs/dbraw/zinc/75/52/79/1182755279.db2.gz ARYMUTCNILYEHI-INIZCTEOSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)=CCN1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001717353802 1182797682 /nfs/dbraw/zinc/79/76/82/1182797682.db2.gz AXAQJLHYKYCRLC-HNNXBMFYSA-N 1 3 309.454 0.847 20 0 DCADHO CC(C)=CCN1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001717353802 1182797685 /nfs/dbraw/zinc/79/76/85/1182797685.db2.gz AXAQJLHYKYCRLC-HNNXBMFYSA-N 1 3 309.454 0.847 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001721865799 1184085430 /nfs/dbraw/zinc/08/54/30/1184085430.db2.gz NPEZCTHZVPEZRS-NPONBVRISA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001721865799 1184085436 /nfs/dbraw/zinc/08/54/36/1184085436.db2.gz NPEZCTHZVPEZRS-NPONBVRISA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)NC2CC2)C1 ZINC001723123370 1184264188 /nfs/dbraw/zinc/26/41/88/1184264188.db2.gz ODUWQYRMROKXSK-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CCCF)C2)C1 ZINC001724813706 1184568543 /nfs/dbraw/zinc/56/85/43/1184568543.db2.gz AGTVXKJUPKSVCT-KGLIPLIRSA-N 1 3 301.406 0.505 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H](C)C1 ZINC001724951245 1184633530 /nfs/dbraw/zinc/63/35/30/1184633530.db2.gz VQRZLXYQMZIVEZ-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001732807382 1185977901 /nfs/dbraw/zinc/97/79/01/1185977901.db2.gz NFGDSOKAVFSMNI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001732813252 1185980479 /nfs/dbraw/zinc/98/04/79/1185980479.db2.gz WRUXJWCBBRYTTF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001732984371 1186092260 /nfs/dbraw/zinc/09/22/60/1186092260.db2.gz UBDABSXZSHDOFW-GFCCVEGCSA-N 1 3 310.446 0.329 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@H](CNCCF)C1 ZINC001733739416 1186423728 /nfs/dbraw/zinc/42/37/28/1186423728.db2.gz MCPFQCQIFXRLJJ-UONOGXRCSA-N 1 3 301.406 0.647 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@H](CNCCF)C1 ZINC001733739416 1186423730 /nfs/dbraw/zinc/42/37/30/1186423730.db2.gz MCPFQCQIFXRLJJ-UONOGXRCSA-N 1 3 301.406 0.647 20 0 DCADHO C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)N1CCCCCC1 ZINC001733741078 1186425025 /nfs/dbraw/zinc/42/50/25/1186425025.db2.gz BCOUOVQXJWQELD-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)=CC[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001733888876 1186487288 /nfs/dbraw/zinc/48/72/88/1186487288.db2.gz KXKVGZZKNCYMKI-UHFFFAOYSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001736809868 1187117652 /nfs/dbraw/zinc/11/76/52/1187117652.db2.gz XDWFHJWKAMUGIH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001736809868 1187117654 /nfs/dbraw/zinc/11/76/54/1187117654.db2.gz XDWFHJWKAMUGIH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001742508017 1187996701 /nfs/dbraw/zinc/99/67/01/1187996701.db2.gz RGQMHOIMDGJPCI-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001742508017 1187996702 /nfs/dbraw/zinc/99/67/02/1187996702.db2.gz RGQMHOIMDGJPCI-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC[NH2+]CCc1ccnn1C)C(=O)CN(C)C1CCC1 ZINC001753197888 1188532153 /nfs/dbraw/zinc/53/21/53/1188532153.db2.gz HOYJSYRESCHZJS-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO CN(CC[NH2+]CCOCC(F)(F)F)C(=O)CN1CCCC1 ZINC001753262057 1188552478 /nfs/dbraw/zinc/55/24/78/1188552478.db2.gz QFEPZMUNQRFXKH-UHFFFAOYSA-N 1 3 311.348 0.709 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001753264370 1188553699 /nfs/dbraw/zinc/55/36/99/1188553699.db2.gz PNHINXLUTNLRHD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001753359652 1188573077 /nfs/dbraw/zinc/57/30/77/1188573077.db2.gz ZRZSHLDHEQPOAX-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNCC(=O)N1CCCC1)[NH+](C)C ZINC001754136298 1188756081 /nfs/dbraw/zinc/75/60/81/1188756081.db2.gz RXHFSZFFJJUOKV-JFDDCEBESA-N 1 3 324.469 0.457 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)N(C)C ZINC001754157299 1188763036 /nfs/dbraw/zinc/76/30/36/1188763036.db2.gz SSIAZHCWGFAKNG-UZYOAWRESA-N 1 3 324.469 0.600 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCn2cccn2)C1 ZINC001754907182 1188970753 /nfs/dbraw/zinc/97/07/53/1188970753.db2.gz CDTABFLLWCHICQ-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC001755125379 1189030699 /nfs/dbraw/zinc/03/06/99/1189030699.db2.gz VDOCULBUVUHHRI-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001759716540 1190278033 /nfs/dbraw/zinc/27/80/33/1190278033.db2.gz WHSWLFAAILAEFQ-YOVCOIKASA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001759716540 1190278037 /nfs/dbraw/zinc/27/80/37/1190278037.db2.gz WHSWLFAAILAEFQ-YOVCOIKASA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001771744992 1190486525 /nfs/dbraw/zinc/48/65/25/1190486525.db2.gz NGSPCHATVMJDPN-GMXVVIOVSA-N 1 3 309.418 0.209 20 0 DCADHO Cn1cc([C@@H]2C[C@H](NC[C@H](O)C[NH+]3CCCC3)CCO2)cn1 ZINC001772056350 1190601050 /nfs/dbraw/zinc/60/10/50/1190601050.db2.gz YMQFHBUJTHUKGZ-PMPSAXMXSA-N 1 3 308.426 0.687 20 0 DCADHO O=C(N[C@H]1COC2(CNC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC001772252890 1190643806 /nfs/dbraw/zinc/64/38/06/1190643806.db2.gz QXYSUHLEVQUPKO-LLVKDONJSA-N 1 3 322.434 0.471 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001772260729 1190646337 /nfs/dbraw/zinc/64/63/37/1190646337.db2.gz UWILBGIHYZWWSU-OIISXLGYSA-N 1 3 319.449 0.902 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466456 751406663 /nfs/dbraw/zinc/40/66/63/751406663.db2.gz KDCZXWQSROGXCC-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695102 751642597 /nfs/dbraw/zinc/64/25/97/751642597.db2.gz BGVJTZPDNGIVTB-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695102 751642602 /nfs/dbraw/zinc/64/26/02/751642602.db2.gz BGVJTZPDNGIVTB-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO COC1CCN(CCNC(=O)NC2CC3(CC([NH3+])C3)C2)CC1 ZINC001578941670 1165163216 /nfs/dbraw/zinc/16/32/16/1165163216.db2.gz WCCKVSBDJBUPPI-UHFFFAOYSA-N 1 3 310.442 0.666 20 0 DCADHO Cc1noc(C)c1S(=O)(=O)[N-]CCC[NH2+]CCCC[NH3+] ZINC001238880057 752043755 /nfs/dbraw/zinc/04/37/55/752043755.db2.gz TXOROUMWZSHJJS-UHFFFAOYSA-N 1 3 304.416 0.288 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001167260814 747044666 /nfs/dbraw/zinc/04/46/66/747044666.db2.gz KZZYXPPXDXTPLI-AWEZNQCLSA-N 1 3 322.457 0.531 20 0 DCADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167626507 747436623 /nfs/dbraw/zinc/43/66/23/747436623.db2.gz CRYUEPNPFZTSMB-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CCO)CCC1 ZINC001087364320 747767954 /nfs/dbraw/zinc/76/79/54/747767954.db2.gz WHABBTWPMYRZTF-JONQDZQNSA-N 1 3 321.465 0.632 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCO)CCC1 ZINC001087364320 747767958 /nfs/dbraw/zinc/76/79/58/747767958.db2.gz WHABBTWPMYRZTF-JONQDZQNSA-N 1 3 321.465 0.632 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC001100769769 747901033 /nfs/dbraw/zinc/90/10/33/747901033.db2.gz ZSDLCYSALFPAQY-RUXDESIVSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001087393111 747916402 /nfs/dbraw/zinc/91/64/02/747916402.db2.gz RHIFYJMDZMGQLZ-ATGSNQNLSA-N 1 3 304.394 0.113 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001087393111 747916407 /nfs/dbraw/zinc/91/64/07/747916407.db2.gz RHIFYJMDZMGQLZ-ATGSNQNLSA-N 1 3 304.394 0.113 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105067019 748020028 /nfs/dbraw/zinc/02/00/28/748020028.db2.gz JHAWPPIVSFKMSS-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC001203456275 752242092 /nfs/dbraw/zinc/24/20/92/752242092.db2.gz UJOVIOIGLADLFS-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1)N(C)C ZINC001112524269 748176562 /nfs/dbraw/zinc/17/65/62/748176562.db2.gz FBPKUNOOIYQDOB-UXLLHSPISA-N 1 3 311.470 0.783 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001105357984 748432065 /nfs/dbraw/zinc/43/20/65/748432065.db2.gz PXGBILSVUHXWJT-UHFFFAOYSA-N 1 3 320.441 0.503 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001105357984 748432068 /nfs/dbraw/zinc/43/20/68/748432068.db2.gz PXGBILSVUHXWJT-UHFFFAOYSA-N 1 3 320.441 0.503 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC001203442292 749071359 /nfs/dbraw/zinc/07/13/59/749071359.db2.gz ILXUSVNSQFEVDK-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1Cc1cnn(C)c1 ZINC001087829778 749072996 /nfs/dbraw/zinc/07/29/96/749072996.db2.gz VPDYHVCYSJUFNQ-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1Cc1cnn(C)c1 ZINC001087829778 749073000 /nfs/dbraw/zinc/07/30/00/749073000.db2.gz VPDYHVCYSJUFNQ-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150597 749259250 /nfs/dbraw/zinc/25/92/50/749259250.db2.gz MAEKSLOFQOVCDK-BBWFWOEESA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150597 749259256 /nfs/dbraw/zinc/25/92/56/749259256.db2.gz MAEKSLOFQOVCDK-BBWFWOEESA-N 1 3 323.481 0.879 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCC[C@H](C)O)C1 ZINC001100920976 749561689 /nfs/dbraw/zinc/56/16/89/749561689.db2.gz KLFBOWLOBQSANA-XGNXJENSSA-N 1 3 308.426 0.906 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704785 751238693 /nfs/dbraw/zinc/23/86/93/751238693.db2.gz CJTWFSIPJWTJRE-CHWSQXEVSA-N 1 3 321.425 0.163 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1 ZINC001106783566 751276556 /nfs/dbraw/zinc/27/65/56/751276556.db2.gz SZTMEGHOQBNDJH-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106840514 751307788 /nfs/dbraw/zinc/30/77/88/751307788.db2.gz QSZYZHFEAGYPCR-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2cn(C)nn2)[C@H](C)C1 ZINC001106840514 751307793 /nfs/dbraw/zinc/30/77/93/751307793.db2.gz QSZYZHFEAGYPCR-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001077756729 752468416 /nfs/dbraw/zinc/46/84/16/752468416.db2.gz XQVZMGYRGCXLSU-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001077756729 752468422 /nfs/dbraw/zinc/46/84/22/752468422.db2.gz XQVZMGYRGCXLSU-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCCC1 ZINC001044857043 752903335 /nfs/dbraw/zinc/90/33/35/752903335.db2.gz DSIZBOVGZGQQJS-UONOGXRCSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCCC1 ZINC001044858954 752906259 /nfs/dbraw/zinc/90/62/59/752906259.db2.gz XYRZBHPFZSSMRL-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cn1 ZINC001044960034 752960254 /nfs/dbraw/zinc/96/02/54/752960254.db2.gz SNKCUEMHMGKIKN-HOTGVXAUSA-N 1 3 317.437 0.960 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001045205696 753091933 /nfs/dbraw/zinc/09/19/33/753091933.db2.gz SJURQKOZEPKYCT-GJZGRUSLSA-N 1 3 307.442 0.841 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045310188 753139415 /nfs/dbraw/zinc/13/94/15/753139415.db2.gz IYMAAGZOIURKGF-AWEZNQCLSA-N 1 3 305.426 0.597 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCC[C@@H]1C)NC(=O)CC[NH+](C)C ZINC001078467575 753263064 /nfs/dbraw/zinc/26/30/64/753263064.db2.gz HRGPDOJNDPKBAU-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncc2c(n1)CNCC2 ZINC001168707751 753672376 /nfs/dbraw/zinc/67/23/76/753672376.db2.gz QWBAKBJIQUXJQC-UHFFFAOYSA-N 1 3 321.388 0.871 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)CC1 ZINC001046589085 753812535 /nfs/dbraw/zinc/81/25/35/753812535.db2.gz XMEPIHADEQUXBS-QGZVFWFLSA-N 1 3 319.453 0.806 20 0 DCADHO CN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046903340 754010446 /nfs/dbraw/zinc/01/04/46/754010446.db2.gz PDHVIOLIHVTKQP-XJKSGUPXSA-N 1 3 319.409 0.011 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001128774919 754267417 /nfs/dbraw/zinc/26/74/17/754267417.db2.gz ZEKKCXCIKUOGJS-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001128774919 754267424 /nfs/dbraw/zinc/26/74/24/754267424.db2.gz ZEKKCXCIKUOGJS-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C(C)C ZINC001128773792 754269773 /nfs/dbraw/zinc/26/97/73/754269773.db2.gz DVBLLRKXUFIJSR-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C(C)C ZINC001128773792 754269778 /nfs/dbraw/zinc/26/97/78/754269778.db2.gz DVBLLRKXUFIJSR-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001128773924 754270215 /nfs/dbraw/zinc/27/02/15/754270215.db2.gz IXZVOEQPAKQSOU-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001128773924 754270220 /nfs/dbraw/zinc/27/02/20/754270220.db2.gz IXZVOEQPAKQSOU-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063805 754597966 /nfs/dbraw/zinc/59/79/66/754597966.db2.gz GDFZHLYDNPFSDX-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048589489 754815332 /nfs/dbraw/zinc/81/53/32/754815332.db2.gz JWPJFBOTMWIORS-LXFSFDBISA-N 1 3 322.453 0.171 20 0 DCADHO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001048589489 754815339 /nfs/dbraw/zinc/81/53/39/754815339.db2.gz JWPJFBOTMWIORS-LXFSFDBISA-N 1 3 322.453 0.171 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001168762745 754932658 /nfs/dbraw/zinc/93/26/58/754932658.db2.gz HYOYNHSDUNFBQU-UHFFFAOYSA-N 1 3 311.386 0.051 20 0 DCADHO CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049612919 755335490 /nfs/dbraw/zinc/33/54/90/755335490.db2.gz VHGUNPPSRRSUAG-SYGRHNPNSA-N 1 3 319.449 0.935 20 0 DCADHO CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049612919 755335495 /nfs/dbraw/zinc/33/54/95/755335495.db2.gz VHGUNPPSRRSUAG-SYGRHNPNSA-N 1 3 319.449 0.935 20 0 DCADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049612917 755336002 /nfs/dbraw/zinc/33/60/02/755336002.db2.gz VHGUNPPSRRSUAG-DSZOFWSKSA-N 1 3 319.449 0.935 20 0 DCADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001049612917 755336003 /nfs/dbraw/zinc/33/60/03/755336003.db2.gz VHGUNPPSRRSUAG-DSZOFWSKSA-N 1 3 319.449 0.935 20 0 DCADHO C[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079948951 756053087 /nfs/dbraw/zinc/05/30/87/756053087.db2.gz IAUCWYZRRTZPJH-QLFBSQMISA-N 1 3 309.454 0.680 20 0 DCADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080383240 756185477 /nfs/dbraw/zinc/18/54/77/756185477.db2.gz VWYWAYHJOHQJHZ-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054743235 756624428 /nfs/dbraw/zinc/62/44/28/756624428.db2.gz FYTAYNIABAWQLU-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082783549 757264191 /nfs/dbraw/zinc/26/41/91/757264191.db2.gz ALJKZVGLCDOZNR-MBNYWOFBSA-N 1 3 310.442 0.029 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]2CN(CCO)C[C@H]21 ZINC001050104304 757370500 /nfs/dbraw/zinc/37/05/00/757370500.db2.gz ULGAQZLVKUDRDF-BBWFWOEESA-N 1 3 321.465 0.776 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001083168685 757542034 /nfs/dbraw/zinc/54/20/34/757542034.db2.gz HBDZCEUILNAGRB-SOUVJXGZSA-N 1 3 313.417 0.742 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001083168685 757542040 /nfs/dbraw/zinc/54/20/40/757542040.db2.gz HBDZCEUILNAGRB-SOUVJXGZSA-N 1 3 313.417 0.742 20 0 DCADHO C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCCF)C[C@@H]21 ZINC001083168685 757542045 /nfs/dbraw/zinc/54/20/45/757542045.db2.gz HBDZCEUILNAGRB-SOUVJXGZSA-N 1 3 313.417 0.742 20 0 DCADHO C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCCF)C[C@@H]21 ZINC001083168685 757542050 /nfs/dbraw/zinc/54/20/50/757542050.db2.gz HBDZCEUILNAGRB-SOUVJXGZSA-N 1 3 313.417 0.742 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084091723 757670882 /nfs/dbraw/zinc/67/08/82/757670882.db2.gz MKUHIUKAMBYNCC-MCIONIFRSA-N 1 3 301.406 0.382 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001084091723 757670889 /nfs/dbraw/zinc/67/08/89/757670889.db2.gz MKUHIUKAMBYNCC-MCIONIFRSA-N 1 3 301.406 0.382 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCNCc1ccc(OC)nn1 ZINC001170210652 762568109 /nfs/dbraw/zinc/56/81/09/762568109.db2.gz FRWOVKUGQHRVAT-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCNCc1ccc(OC)nn1 ZINC001170210652 762568112 /nfs/dbraw/zinc/56/81/12/762568112.db2.gz FRWOVKUGQHRVAT-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](CCO)CC2CC2)CC1 ZINC001098449865 762676381 /nfs/dbraw/zinc/67/63/81/762676381.db2.gz QLSULBKREFDLLW-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CC2CC2)CC1 ZINC001098449865 762676385 /nfs/dbraw/zinc/67/63/85/762676385.db2.gz QLSULBKREFDLLW-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081460 759165831 /nfs/dbraw/zinc/16/58/31/759165831.db2.gz BQOPCXQLGQPLLM-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081460 759165837 /nfs/dbraw/zinc/16/58/37/759165837.db2.gz BQOPCXQLGQPLLM-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117332 759189225 /nfs/dbraw/zinc/18/92/25/759189225.db2.gz KTMTVJKAYYUOMD-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117332 759189228 /nfs/dbraw/zinc/18/92/28/759189228.db2.gz KTMTVJKAYYUOMD-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001147824699 767853352 /nfs/dbraw/zinc/85/33/52/767853352.db2.gz MHTWMDYUNSGYGD-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001147825668 767853729 /nfs/dbraw/zinc/85/37/29/767853729.db2.gz PYSXIVSQIDWYMF-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866524 759404127 /nfs/dbraw/zinc/40/41/27/759404127.db2.gz KWJPCBWXTJNDGD-HNNXBMFYSA-N 1 3 307.442 0.999 20 0 DCADHO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573449 759500965 /nfs/dbraw/zinc/50/09/65/759500965.db2.gz WESRVWCFENUCIP-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001052573449 759500969 /nfs/dbraw/zinc/50/09/69/759500969.db2.gz WESRVWCFENUCIP-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCc2ccc(C(N)=O)cc2)C1 ZINC001147877461 767869743 /nfs/dbraw/zinc/86/97/43/767869743.db2.gz KSWCDWSMDMTYLH-AWEZNQCLSA-N 1 3 318.421 0.333 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCc2ccc(C(N)=O)cc2)C1 ZINC001147877461 767869746 /nfs/dbraw/zinc/86/97/46/767869746.db2.gz KSWCDWSMDMTYLH-AWEZNQCLSA-N 1 3 318.421 0.333 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001147877926 767871716 /nfs/dbraw/zinc/87/17/16/767871716.db2.gz POUQQKOFFHAKJS-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001147877926 767871723 /nfs/dbraw/zinc/87/17/23/767871723.db2.gz POUQQKOFFHAKJS-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)N1CCCCCC1 ZINC001147977122 767890355 /nfs/dbraw/zinc/89/03/55/767890355.db2.gz JUMOHIYICCAXBA-UHFFFAOYSA-N 1 3 322.453 0.191 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](CCCCOC)C[C@H]1O ZINC001100042231 759829423 /nfs/dbraw/zinc/82/94/23/759829423.db2.gz WECHIOXFCAPTOM-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](CCCCOC)C[C@H]1O ZINC001100042231 759829429 /nfs/dbraw/zinc/82/94/29/759829429.db2.gz WECHIOXFCAPTOM-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000660 767894291 /nfs/dbraw/zinc/89/42/91/767894291.db2.gz UFAYNMUIZDXEJV-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001086278623 759942993 /nfs/dbraw/zinc/94/29/93/759942993.db2.gz GBCCUUQPQMVKJW-LXTVHRRPSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001086382514 760119648 /nfs/dbraw/zinc/11/96/48/760119648.db2.gz LGMSWBVOEMAHGW-KBUPBQIOSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001100080287 760169166 /nfs/dbraw/zinc/16/91/66/760169166.db2.gz GZLMENSAGQSPPX-ZIAGYGMSSA-N 1 3 303.422 0.629 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001150546848 770000330 /nfs/dbraw/zinc/00/03/30/770000330.db2.gz KAKHVWRTGKXSQB-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001150546848 770000344 /nfs/dbraw/zinc/00/03/44/770000344.db2.gz KAKHVWRTGKXSQB-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365422 767973496 /nfs/dbraw/zinc/97/34/96/767973496.db2.gz PCYGNQRZOGHJSN-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129340095 760760840 /nfs/dbraw/zinc/76/08/40/760760840.db2.gz KPTHTXDTUBWPHQ-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129340095 760760848 /nfs/dbraw/zinc/76/08/48/760760848.db2.gz KPTHTXDTUBWPHQ-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO COc1ccc(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)cn1 ZINC001129351837 760951467 /nfs/dbraw/zinc/95/14/67/760951467.db2.gz QJVOGEVJVQZIQZ-UHFFFAOYSA-N 1 3 306.410 0.780 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768579 761038898 /nfs/dbraw/zinc/03/88/98/761038898.db2.gz BPZUGBALDUBYKI-OBJOEFQTSA-N 1 3 319.409 0.010 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001148570543 768009562 /nfs/dbraw/zinc/00/95/62/768009562.db2.gz GBYJENAOTWLLOV-UHFFFAOYSA-N 1 3 324.425 0.334 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001148570543 768009569 /nfs/dbraw/zinc/00/95/69/768009569.db2.gz GBYJENAOTWLLOV-UHFFFAOYSA-N 1 3 324.425 0.334 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC001148642906 768022926 /nfs/dbraw/zinc/02/29/26/768022926.db2.gz QBNHFDUXCPEVDP-INIZCTEOSA-N 1 3 323.437 0.776 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091742559 768029913 /nfs/dbraw/zinc/02/99/13/768029913.db2.gz AGRMLQWHZZZPIB-CPUCHLNUSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091742559 768029917 /nfs/dbraw/zinc/02/99/17/768029917.db2.gz AGRMLQWHZZZPIB-CPUCHLNUSA-N 1 3 309.454 0.632 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N[C@H](C)CC ZINC001148655357 768025290 /nfs/dbraw/zinc/02/52/90/768025290.db2.gz NKFPVHQIXSZBGM-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070767618 761438927 /nfs/dbraw/zinc/43/89/27/761438927.db2.gz FRYBVYCXLQMUNV-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070767618 761438930 /nfs/dbraw/zinc/43/89/30/761438930.db2.gz FRYBVYCXLQMUNV-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCOCCO ZINC001154070309 770061191 /nfs/dbraw/zinc/06/11/91/770061191.db2.gz YEJOODCNEMXXLZ-CQSZACIVSA-N 1 3 317.474 0.552 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCOCCO ZINC001154070309 770061204 /nfs/dbraw/zinc/06/12/04/770061204.db2.gz YEJOODCNEMXXLZ-CQSZACIVSA-N 1 3 317.474 0.552 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001129410222 762930974 /nfs/dbraw/zinc/93/09/74/762930974.db2.gz GUGLWHGADZDSER-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001129410222 762930979 /nfs/dbraw/zinc/93/09/79/762930979.db2.gz GUGLWHGADZDSER-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1)C1CC1 ZINC001129435149 762942124 /nfs/dbraw/zinc/94/21/24/762942124.db2.gz CDXZZUMLMKIBNN-OAHLLOKOSA-N 1 3 318.421 0.332 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856356 763026174 /nfs/dbraw/zinc/02/61/74/763026174.db2.gz PWDXDUUBEQISBG-HNNXBMFYSA-N 1 3 307.442 0.809 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856356 763026182 /nfs/dbraw/zinc/02/61/82/763026182.db2.gz PWDXDUUBEQISBG-HNNXBMFYSA-N 1 3 307.442 0.809 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001129949551 763055061 /nfs/dbraw/zinc/05/50/61/763055061.db2.gz FUQJHGWELKRPQM-HNNXBMFYSA-N 1 3 312.458 0.289 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001129947219 763065266 /nfs/dbraw/zinc/06/52/66/763065266.db2.gz PBAYEBWUTVLJML-HNNXBMFYSA-N 1 3 308.426 0.882 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cn1 ZINC001130187451 763165391 /nfs/dbraw/zinc/16/53/91/763165391.db2.gz VFWVIXIUBKTAST-CABCVRRESA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cn1 ZINC001130187451 763165400 /nfs/dbraw/zinc/16/54/00/763165400.db2.gz VFWVIXIUBKTAST-CABCVRRESA-N 1 3 305.426 0.643 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCC(C)C)N(C)C ZINC001130201198 763185093 /nfs/dbraw/zinc/18/50/93/763185093.db2.gz XWODGPXOBKWNPK-UONOGXRCSA-N 1 3 314.474 0.583 20 0 DCADHO CCOCCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076219 763285288 /nfs/dbraw/zinc/28/52/88/763285288.db2.gz IBIWWEVNWNXHBL-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC(C)C ZINC001130427888 763298251 /nfs/dbraw/zinc/29/82/51/763298251.db2.gz SEPOUEQAASZWFO-UHFFFAOYSA-N 1 3 300.447 0.195 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCC(C)C ZINC001130427888 763298258 /nfs/dbraw/zinc/29/82/58/763298258.db2.gz SEPOUEQAASZWFO-UHFFFAOYSA-N 1 3 300.447 0.195 20 0 DCADHO CN1CC[C@H](NCCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1=O ZINC001130622771 763404757 /nfs/dbraw/zinc/40/47/57/763404757.db2.gz ZZHSZWLNXAYGDO-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[C@H](NCCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1=O ZINC001130622771 763404767 /nfs/dbraw/zinc/40/47/67/763404767.db2.gz ZZHSZWLNXAYGDO-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001100407857 763557329 /nfs/dbraw/zinc/55/73/29/763557329.db2.gz MDCKINCQXBJCSP-ABIUDSBCSA-N 1 3 320.441 0.140 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001100426567 763571076 /nfs/dbraw/zinc/57/10/76/763571076.db2.gz OPGDWZIAMPCXAU-PIMMBPRGSA-N 1 3 312.458 0.145 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100457084 763588578 /nfs/dbraw/zinc/58/85/78/763588578.db2.gz OUALNCUSIMAENW-UHFFFAOYSA-N 1 3 315.458 0.210 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCOCCO)C1)N(C)C ZINC001100647266 763701127 /nfs/dbraw/zinc/70/11/27/763701127.db2.gz LFOXICIUOUOADX-YMAMQOFZSA-N 1 3 315.458 0.066 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100679702 763720434 /nfs/dbraw/zinc/72/04/34/763720434.db2.gz JWGMDPSVPIJJGP-ZUEPYMLJSA-N 1 3 315.433 0.676 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001100905024 763849711 /nfs/dbraw/zinc/84/97/11/763849711.db2.gz RYXCBADPSPPMIL-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001101037227 763931000 /nfs/dbraw/zinc/93/10/00/763931000.db2.gz DOGTUKOGSKJFEQ-DNOWBOINSA-N 1 3 324.469 0.478 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280860 764350327 /nfs/dbraw/zinc/35/03/27/764350327.db2.gz VWQTVVWEWZBHHP-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COCCOCCN1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273564 764354678 /nfs/dbraw/zinc/35/46/78/764354678.db2.gz HCFQDNGPAZXGOC-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290547 764579535 /nfs/dbraw/zinc/57/95/35/764579535.db2.gz JDMFWBVKJUJIEK-MGPQQGTHSA-N 1 3 324.469 0.276 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C)N1CCCCCC1 ZINC001102430255 764642438 /nfs/dbraw/zinc/64/24/38/764642438.db2.gz KQGLDUVFEQZXGQ-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C)N1CCCCCC1 ZINC001102430255 764642442 /nfs/dbraw/zinc/64/24/42/764642442.db2.gz KQGLDUVFEQZXGQ-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102475436 764657069 /nfs/dbraw/zinc/65/70/69/764657069.db2.gz OIOFUAOBQVQRET-HUUCEWRRSA-N 1 3 322.457 0.304 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102475436 764657077 /nfs/dbraw/zinc/65/70/77/764657077.db2.gz OIOFUAOBQVQRET-HUUCEWRRSA-N 1 3 322.457 0.304 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001102495814 764668271 /nfs/dbraw/zinc/66/82/71/764668271.db2.gz OSIPPGQOYSRHKQ-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C ZINC001102495814 764668285 /nfs/dbraw/zinc/66/82/85/764668285.db2.gz OSIPPGQOYSRHKQ-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102497295 764668928 /nfs/dbraw/zinc/66/89/28/764668928.db2.gz LAYISZRROXUBSX-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102497295 764668934 /nfs/dbraw/zinc/66/89/34/764668934.db2.gz LAYISZRROXUBSX-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1C ZINC001102532524 764682432 /nfs/dbraw/zinc/68/24/32/764682432.db2.gz QRRACXPSGNHZTG-VHDGCEQUSA-N 1 3 320.437 0.981 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1C ZINC001102532524 764682444 /nfs/dbraw/zinc/68/24/44/764682444.db2.gz QRRACXPSGNHZTG-VHDGCEQUSA-N 1 3 320.437 0.981 20 0 DCADHO C[NH+](C)CCCC(=O)NCCN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001133043330 764799010 /nfs/dbraw/zinc/79/90/10/764799010.db2.gz UFSRWWYQCLHKRR-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051742 764802848 /nfs/dbraw/zinc/80/28/48/764802848.db2.gz NGHRZEWUWNRZNL-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO Cc1nnc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]2C)[nH]1 ZINC001133092040 764823098 /nfs/dbraw/zinc/82/30/98/764823098.db2.gz XYVWEJGQNZYNMA-JSGCOSHPSA-N 1 3 322.457 0.639 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001133091729 764823284 /nfs/dbraw/zinc/82/32/84/764823284.db2.gz UWJBTMGWJKQNHC-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001133194850 764870609 /nfs/dbraw/zinc/87/06/09/764870609.db2.gz LUXOSSVOYITGOU-GJZGRUSLSA-N 1 3 324.469 0.278 20 0 DCADHO Cc1ccc(CN(C)C(=O)CNCCNC(=O)CC[NH+](C)C)o1 ZINC001133291331 764910287 /nfs/dbraw/zinc/91/02/87/764910287.db2.gz PNGNGWWOLVJUOX-UHFFFAOYSA-N 1 3 324.425 0.204 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F)N(C)C ZINC001133419682 764958279 /nfs/dbraw/zinc/95/82/79/764958279.db2.gz UFCDABLXUWJJCE-VXGBXAGGSA-N 1 3 307.385 0.703 20 0 DCADHO CC[C@H](C(=O)NCCN[C@@H]1CCN(CC)C1=O)[NH+](CC)CC ZINC001133690557 765096073 /nfs/dbraw/zinc/09/60/73/765096073.db2.gz OQNIWRDOOJRNPV-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103722481 765113109 /nfs/dbraw/zinc/11/31/09/765113109.db2.gz PBWQZDMAIONPSJ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103722481 765113114 /nfs/dbraw/zinc/11/31/14/765113114.db2.gz PBWQZDMAIONPSJ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001133830676 765161098 /nfs/dbraw/zinc/16/10/98/765161098.db2.gz ANAZJGUBVVCNKD-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001133830676 765161107 /nfs/dbraw/zinc/16/11/07/765161107.db2.gz ANAZJGUBVVCNKD-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001133830733 765161407 /nfs/dbraw/zinc/16/14/07/765161407.db2.gz CNLFYVSASNOEKQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001133830733 765161414 /nfs/dbraw/zinc/16/14/14/765161414.db2.gz CNLFYVSASNOEKQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133850948 765170147 /nfs/dbraw/zinc/17/01/47/765170147.db2.gz SBVGYTXZQQIERS-CABCVRRESA-N 1 3 315.458 0.068 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001133853670 765172197 /nfs/dbraw/zinc/17/21/97/765172197.db2.gz OASHOICWUOMAJU-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCCC2)C1 ZINC001133853670 765172201 /nfs/dbraw/zinc/17/22/01/765172201.db2.gz OASHOICWUOMAJU-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1ccc2nonc2c1 ZINC001133863899 765189578 /nfs/dbraw/zinc/18/95/78/765189578.db2.gz RDEKEKOEBKQOSL-AAEUAGOBSA-N 1 3 317.393 0.626 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1ccc2nonc2c1 ZINC001133863899 765189585 /nfs/dbraw/zinc/18/95/85/765189585.db2.gz RDEKEKOEBKQOSL-AAEUAGOBSA-N 1 3 317.393 0.626 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001133896732 765215763 /nfs/dbraw/zinc/21/57/63/765215763.db2.gz QRGLNOIHVATXFY-GFCCVEGCSA-N 1 3 319.396 0.848 20 0 DCADHO C[C@@H](COCC(=O)NCCNCc1ccnn1C)[NH+]1CCCC1 ZINC001134054459 765311922 /nfs/dbraw/zinc/31/19/22/765311922.db2.gz KGVKROCEIUBSSQ-AWEZNQCLSA-N 1 3 323.441 0.127 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001134370142 765502537 /nfs/dbraw/zinc/50/25/37/765502537.db2.gz XZGIYSDPEQLPHD-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001134584351 765580381 /nfs/dbraw/zinc/58/03/81/765580381.db2.gz SLFQXBXWRRMHDC-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001134583370 765580955 /nfs/dbraw/zinc/58/09/55/765580955.db2.gz JSHAHWUGKAQASY-QWHCGFSZSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)CN(C)C1CCC1 ZINC001134607287 765599998 /nfs/dbraw/zinc/59/99/98/765599998.db2.gz GKKGURXYKSMGRS-QWHCGFSZSA-N 1 3 322.457 0.672 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780698 765671139 /nfs/dbraw/zinc/67/11/39/765671139.db2.gz SCNQLUJEONFTER-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO CC(C)N1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)cn2)CC1 ZINC001170778250 765725894 /nfs/dbraw/zinc/72/58/94/765725894.db2.gz GDEOFZQWMRYZTQ-GDBMZVCRSA-N 1 3 319.453 0.604 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)N1CCC(C)CC1 ZINC001124866765 768317065 /nfs/dbraw/zinc/31/70/65/768317065.db2.gz KMKVFVHXRDGSLP-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(=O)NC(C)C)C(C)C ZINC001135478048 765949950 /nfs/dbraw/zinc/94/99/50/765949950.db2.gz UOJPUWYIFCMZFT-OAHLLOKOSA-N 1 3 314.474 0.583 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001135512875 765965777 /nfs/dbraw/zinc/96/57/77/765965777.db2.gz AOEJWRFGIMODIQ-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC001135512848 765966194 /nfs/dbraw/zinc/96/61/94/765966194.db2.gz AGZOYKXMMBUWCK-CYBMUJFWSA-N 1 3 324.425 0.332 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513295 765967420 /nfs/dbraw/zinc/96/74/20/765967420.db2.gz LOUJWCQTJRNGCC-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743746 766085539 /nfs/dbraw/zinc/08/55/39/766085539.db2.gz PASMVALPIXECSY-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001136032329 766216888 /nfs/dbraw/zinc/21/68/88/766216888.db2.gz ZDOQBLLIVQCHEK-VXGBXAGGSA-N 1 3 312.414 0.142 20 0 DCADHO N[C@H](CCC[NH3+])Nc1ccc(OCCN2CCOCC2)nc1 ZINC001170903209 766251567 /nfs/dbraw/zinc/25/15/67/766251567.db2.gz HXTVBIWEANIPGE-AWEZNQCLSA-N 1 3 309.414 0.228 20 0 DCADHO N[C@H](CCC[NH3+])Nc1ccc(=O)n(Cc2ccc(F)cc2)n1 ZINC001170906535 766254929 /nfs/dbraw/zinc/25/49/29/766254929.db2.gz XAFHJMNLOSCOHV-ZDUSSCGKSA-N 1 3 305.357 0.866 20 0 DCADHO CCN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090705277 766502203 /nfs/dbraw/zinc/50/22/03/766502203.db2.gz CMRHBKOAKNIZAV-CVEARBPZSA-N 1 3 309.454 0.680 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(Cc2ccsc2)C[C@H]1O ZINC001090811573 766623888 /nfs/dbraw/zinc/62/38/88/766623888.db2.gz CEWMMCXFBDOVKL-HUUCEWRRSA-N 1 3 323.462 0.895 20 0 DCADHO O=C(CN1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1O ZINC001090811573 766623894 /nfs/dbraw/zinc/62/38/94/766623894.db2.gz CEWMMCXFBDOVKL-HUUCEWRRSA-N 1 3 323.462 0.895 20 0 DCADHO O=C(CN1CCCC1)N[C@@H]1CC[N@H+](Cc2ccsc2)C[C@H]1O ZINC001090811573 766623899 /nfs/dbraw/zinc/62/38/99/766623899.db2.gz CEWMMCXFBDOVKL-HUUCEWRRSA-N 1 3 323.462 0.895 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001171762982 769369229 /nfs/dbraw/zinc/36/92/29/769369229.db2.gz OYYCTKVBJAIIJS-GFCCVEGCSA-N 1 3 307.385 0.848 20 0 DCADHO CN(CC(=O)NCC1CCN(Cc2ccncc2)CC1)C(N)=[NH2+] ZINC001144142711 766813480 /nfs/dbraw/zinc/81/34/80/766813480.db2.gz NYCJEXUSLQXKNV-UHFFFAOYSA-N 1 3 318.425 0.235 20 0 DCADHO C[C@]1(C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)NC(=O)NC1=O ZINC001120259632 766950614 /nfs/dbraw/zinc/95/06/14/766950614.db2.gz MMKVLHYSFTYKIS-BLLLJJGKSA-N 1 3 308.426 0.686 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)COCC[NH+](C)C ZINC001171199127 766975172 /nfs/dbraw/zinc/97/51/72/766975172.db2.gz XBMRWWRLGUBIAC-UHFFFAOYSA-N 1 3 311.430 0.077 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120440271 767015255 /nfs/dbraw/zinc/01/52/55/767015255.db2.gz MDTUNZUOBREUBO-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120440271 767015264 /nfs/dbraw/zinc/01/52/64/767015264.db2.gz MDTUNZUOBREUBO-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001171228878 767059459 /nfs/dbraw/zinc/05/94/59/767059459.db2.gz VSUIQHDCODWLMK-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001171228878 767059468 /nfs/dbraw/zinc/05/94/68/767059468.db2.gz VSUIQHDCODWLMK-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)N2CCOC[C@H]2C[NH+](C)C)c1 ZINC001144935070 767261118 /nfs/dbraw/zinc/26/11/18/767261118.db2.gz AFTNIDJRJRYQGS-GDBMZVCRSA-N 1 3 321.421 0.354 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H]2CCN(C)C2=O)CC1 ZINC001146392397 767445440 /nfs/dbraw/zinc/44/54/40/767445440.db2.gz SPBMGFAPCDGVQG-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001122106929 767716625 /nfs/dbraw/zinc/71/66/25/767716625.db2.gz WDXSJUDVNQZPMR-KWDKGFIESA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H]([NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1)C(N)=O ZINC001122243002 767749115 /nfs/dbraw/zinc/74/91/15/767749115.db2.gz VHTYQKUZHQTNGX-XJIRZWNVSA-N 1 3 324.469 0.608 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCN[C@H]1CCNC1=O ZINC001147449585 767758191 /nfs/dbraw/zinc/75/81/91/767758191.db2.gz URWRDCZAKDJBDE-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193506 768483132 /nfs/dbraw/zinc/48/31/32/768483132.db2.gz IVEOYXLUDIWTKS-QLFBSQMISA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193506 768483136 /nfs/dbraw/zinc/48/31/36/768483136.db2.gz IVEOYXLUDIWTKS-QLFBSQMISA-N 1 3 319.453 0.556 20 0 DCADHO CNc1nccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001140049463 768509946 /nfs/dbraw/zinc/50/99/46/768509946.db2.gz NBEXNMMFHXUPMA-UHFFFAOYSA-N 1 3 318.469 0.978 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207921 768518014 /nfs/dbraw/zinc/51/80/14/768518014.db2.gz DWMXLSXJWPWKHZ-QKKBWIMNSA-N 1 3 315.483 0.321 20 0 DCADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110147961 768688781 /nfs/dbraw/zinc/68/87/81/768688781.db2.gz AZWDQSKZHFSQTK-FZKCQIBNSA-N 1 3 309.454 0.965 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(CCCF)CCCO2)C1 ZINC001150589533 769132637 /nfs/dbraw/zinc/13/26/37/769132637.db2.gz VCKVSGPDLXLLNE-LSDHHAIUSA-N 1 3 315.433 0.895 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(CCCF)CCCO2)C1 ZINC001150589533 769132645 /nfs/dbraw/zinc/13/26/45/769132645.db2.gz VCKVSGPDLXLLNE-LSDHHAIUSA-N 1 3 315.433 0.895 20 0 DCADHO CNC(=O)c1ccc(CNCCNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001151049539 769245224 /nfs/dbraw/zinc/24/52/24/769245224.db2.gz RNKOGHQZPIKBHN-HNNXBMFYSA-N 1 3 318.421 0.204 20 0 DCADHO CNC(=O)c1ccc(CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001151049539 769245230 /nfs/dbraw/zinc/24/52/30/769245230.db2.gz RNKOGHQZPIKBHN-HNNXBMFYSA-N 1 3 318.421 0.204 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC001151067500 769251302 /nfs/dbraw/zinc/25/13/02/769251302.db2.gz QBQWQEODTJYXCB-UHFFFAOYSA-N 1 3 319.409 0.953 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CCC[NH+]2CCCCC2)C1=O ZINC001151362010 769320863 /nfs/dbraw/zinc/32/08/63/769320863.db2.gz SNQWGRJINCSEEO-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCn1nncc1CNCCCNC(=O)CCCC[NH+](C)C ZINC001171579374 769322789 /nfs/dbraw/zinc/32/27/89/769322789.db2.gz VOIMIGLASAXYAE-UHFFFAOYSA-N 1 3 310.446 0.626 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001171763359 769369677 /nfs/dbraw/zinc/36/96/77/769369677.db2.gz ZYXFFDMVRVPEQT-AWEZNQCLSA-N 1 3 312.458 0.340 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001171770682 769373273 /nfs/dbraw/zinc/37/32/73/769373273.db2.gz XKNHNMZBQPYXDS-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001152138156 769489650 /nfs/dbraw/zinc/48/96/50/769489650.db2.gz STERDPFFCZNGBH-OKILXGFUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001152138156 769489656 /nfs/dbraw/zinc/48/96/56/769489656.db2.gz STERDPFFCZNGBH-OKILXGFUSA-N 1 3 324.469 0.481 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc2nc(N)sc21 ZINC001152185685 769502176 /nfs/dbraw/zinc/50/21/76/769502176.db2.gz JNZTWOYLRKTQOI-UHFFFAOYSA-N 1 3 306.395 0.953 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445840 769558475 /nfs/dbraw/zinc/55/84/75/769558475.db2.gz OWKYVCSCYFWQOD-CQSZACIVSA-N 1 3 303.447 0.066 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001152446319 769559728 /nfs/dbraw/zinc/55/97/28/769559728.db2.gz XLNWGWUFFUASFY-LBPRGKRZSA-N 1 3 300.447 0.336 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001152457371 769564647 /nfs/dbraw/zinc/56/46/47/769564647.db2.gz CRPDASQYFJLCOK-HNNXBMFYSA-N 1 3 307.442 0.543 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001152458583 769566886 /nfs/dbraw/zinc/56/68/86/769566886.db2.gz RCPDWIZALRCELO-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001152471299 769571569 /nfs/dbraw/zinc/57/15/69/769571569.db2.gz KQSCHUTTWBOHGM-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)C[C@@H]1C(=O)OC ZINC001173568591 769662509 /nfs/dbraw/zinc/66/25/09/769662509.db2.gz YSEVRKVNQRVOGR-SYQHCUMBSA-N 1 3 312.410 0.801 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCOCC(F)F ZINC001174682632 769778444 /nfs/dbraw/zinc/77/84/44/769778444.db2.gz KFGUOCALDGCGPC-UHFFFAOYSA-N 1 3 304.341 0.638 20 0 DCADHO Cn1cc(CNCCNC(=O)CCCC[NH+]2CCCC2)cn1 ZINC001153310289 769779113 /nfs/dbraw/zinc/77/91/13/769779113.db2.gz ZQAZHKVNZQMWQP-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001174692046 769780936 /nfs/dbraw/zinc/78/09/36/769780936.db2.gz QZWLVSQDDSRXAW-GFCCVEGCSA-N 1 3 316.352 0.781 20 0 DCADHO O=C(C1CCN(CC[C@@H]2CCCC[NH2+]2)CC1)N1CCNCC1 ZINC001235299775 769799531 /nfs/dbraw/zinc/79/95/31/769799531.db2.gz MPEQVFNJVAGJMQ-INIZCTEOSA-N 1 3 308.470 0.662 20 0 DCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(CCCC[NH3+])C2)CC1 ZINC001235618602 769915194 /nfs/dbraw/zinc/91/51/94/769915194.db2.gz ZFLTUDIKFMGDIX-MRXNPFEDSA-N 1 3 320.485 0.301 20 0 DCADHO COC(=O)C[C@@H]1CNCC[N@@H+]1C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235844706 769950026 /nfs/dbraw/zinc/95/00/26/769950026.db2.gz AWKLKXYAQUMIDT-IJLUTSLNSA-N 1 3 305.369 0.314 20 0 DCADHO COC(=O)C[C@@H]1CNCC[N@H+]1C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235844706 769950034 /nfs/dbraw/zinc/95/00/34/769950034.db2.gz AWKLKXYAQUMIDT-IJLUTSLNSA-N 1 3 305.369 0.314 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])Cc1nc2c(s1)CNCC2 ZINC001236303215 769990116 /nfs/dbraw/zinc/99/01/16/769990116.db2.gz JINWVKSVIBMISG-UHFFFAOYSA-N 1 3 312.439 0.503 20 0 DCADHO CCOC(=O)[C@@H]1CN(Cc2ccncc2N)CCC12C[NH2+]C2 ZINC001237430917 770039491 /nfs/dbraw/zinc/03/94/91/770039491.db2.gz OFMDOXIKKSJOKT-ZDUSSCGKSA-N 1 3 304.394 0.638 20 0 DCADHO CCOC(=O)[C@@H]1CN(Cc2cccc(N)n2)CCC12C[NH2+]C2 ZINC001237430667 770040873 /nfs/dbraw/zinc/04/08/73/770040873.db2.gz LWFDHQNMDMOVFC-ZDUSSCGKSA-N 1 3 304.394 0.638 20 0 DCADHO NCCS(=O)(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1 ZINC001237885539 770085652 /nfs/dbraw/zinc/08/56/52/770085652.db2.gz YLHXVEWCEGGZCE-SNVBAGLBSA-N 1 3 303.359 0.267 20 0 DCADHO O=S(=O)([N-]c1ccccc1CN1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001237955986 770087818 /nfs/dbraw/zinc/08/78/18/770087818.db2.gz QWTVFKWKMQHRLL-AWEZNQCLSA-N 1 3 324.450 0.195 20 0 DCADHO O=S(=O)(Cc1cccnc1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243344 770109340 /nfs/dbraw/zinc/10/93/40/770109340.db2.gz TYILONBGBFWOCM-AWEZNQCLSA-N 1 3 324.450 0.375 20 0 DCADHO O=S(=O)(Cc1cccnc1)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243344 770109348 /nfs/dbraw/zinc/10/93/48/770109348.db2.gz TYILONBGBFWOCM-AWEZNQCLSA-N 1 3 324.450 0.375 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001176890037 770212213 /nfs/dbraw/zinc/21/22/13/770212213.db2.gz KPVKDWCJDWONSR-GFCCVEGCSA-N 1 3 306.410 0.332 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001176947998 770250656 /nfs/dbraw/zinc/25/06/56/770250656.db2.gz BSQTYMAXJKVZAC-OAHLLOKOSA-N 1 3 318.421 0.346 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001176972402 770264093 /nfs/dbraw/zinc/26/40/93/770264093.db2.gz ZQAQBCMIDUMYNB-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F ZINC001176975195 770265711 /nfs/dbraw/zinc/26/57/11/770265711.db2.gz LYVOMDYOQZFILV-LBPRGKRZSA-N 1 3 307.385 0.847 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986195 770271913 /nfs/dbraw/zinc/27/19/13/770271913.db2.gz HITOQODOVBZDRD-CYBMUJFWSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001176986156 770272296 /nfs/dbraw/zinc/27/22/96/770272296.db2.gz GJGDJCBOJFVEBT-UHFFFAOYSA-N 1 3 311.386 0.049 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986467 770274033 /nfs/dbraw/zinc/27/40/33/770274033.db2.gz PEGJOASPJOYTCJ-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001176986352 770274135 /nfs/dbraw/zinc/27/41/35/770274135.db2.gz LRNMIIAALCLBNH-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001206654048 770429855 /nfs/dbraw/zinc/42/98/55/770429855.db2.gz UTVXNAOXDFCYDR-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]C[C@@H](O)COC)CC1 ZINC001206654377 770444974 /nfs/dbraw/zinc/44/49/74/770444974.db2.gz WGSKNCDVIOWYMN-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO CN1CCN(c2cccc(N[C@@H]3COCCC34C[NH2+]C4)n2)CC1 ZINC001155470016 770513009 /nfs/dbraw/zinc/51/30/09/770513009.db2.gz PNBKTZASSJCARR-CQSZACIVSA-N 1 3 317.437 0.624 20 0 DCADHO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc(Cl)nc3c2CCNC3)N1 ZINC001155573273 770550016 /nfs/dbraw/zinc/55/00/16/770550016.db2.gz BDXZJNRIAMFKBF-RISCZKNCSA-N 1 3 307.785 0.371 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178360560 770733688 /nfs/dbraw/zinc/73/36/88/770733688.db2.gz QNACCMIAQPMNLS-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N(CC)CCn1cncn1 ZINC001156517190 770842936 /nfs/dbraw/zinc/84/29/36/770842936.db2.gz RARVNUDKPQEVOC-OAHLLOKOSA-N 1 3 324.473 0.837 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N(CC)CCn1cncn1 ZINC001156517190 770842945 /nfs/dbraw/zinc/84/29/45/770842945.db2.gz RARVNUDKPQEVOC-OAHLLOKOSA-N 1 3 324.473 0.837 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178924999 770893682 /nfs/dbraw/zinc/89/36/82/770893682.db2.gz AFRARXSULQLJBV-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178924999 770893693 /nfs/dbraw/zinc/89/36/93/770893693.db2.gz AFRARXSULQLJBV-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001179856513 771026268 /nfs/dbraw/zinc/02/62/68/771026268.db2.gz CXKXPCAFPXMGDE-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001179856513 771026274 /nfs/dbraw/zinc/02/62/74/771026274.db2.gz CXKXPCAFPXMGDE-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H]1C ZINC001179983142 771043351 /nfs/dbraw/zinc/04/33/51/771043351.db2.gz MMXOLHSQBPPCCJ-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@H]1C ZINC001179986906 771043443 /nfs/dbraw/zinc/04/34/43/771043443.db2.gz GNZYAKLHIMPNQA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C ZINC001180158583 771072184 /nfs/dbraw/zinc/07/21/84/771072184.db2.gz NJEWQAYMYMAKOS-ZDUSSCGKSA-N 1 3 323.441 0.661 20 0 DCADHO CCNC(=O)C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369492 771114058 /nfs/dbraw/zinc/11/40/58/771114058.db2.gz ISMGIFQXAVKESF-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369410 771114274 /nfs/dbraw/zinc/11/42/74/771114274.db2.gz DKPVAVCMMSTLQU-HNNXBMFYSA-N 1 3 317.474 0.600 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181942085 771373789 /nfs/dbraw/zinc/37/37/89/771373789.db2.gz YJPKOESAHIOGFJ-MLGOLLRUSA-N 1 3 312.458 0.276 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC([NH3+])(CC3CCC3)CC2)CC1 ZINC001182036922 771392849 /nfs/dbraw/zinc/39/28/49/771392849.db2.gz MWUCXQVUMHOBDS-UHFFFAOYSA-N 1 3 309.454 0.953 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182623178 771515653 /nfs/dbraw/zinc/51/56/53/771515653.db2.gz FTTIQVAKVIUSHG-CXAGYDPISA-N 1 3 324.469 0.278 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229112 771622332 /nfs/dbraw/zinc/62/23/32/771622332.db2.gz BUPWGLLXEZDWBE-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240445 771627920 /nfs/dbraw/zinc/62/79/20/771627920.db2.gz FVHMFSNNFKZGCJ-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183256513 771630130 /nfs/dbraw/zinc/63/01/30/771630130.db2.gz YBZNDZPXYSBOMR-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183256513 771630134 /nfs/dbraw/zinc/63/01/34/771630134.db2.gz YBZNDZPXYSBOMR-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001157678652 771653306 /nfs/dbraw/zinc/65/33/06/771653306.db2.gz DXEXTEYWMFDSQX-ZDUSSCGKSA-N 1 3 317.389 0.225 20 0 DCADHO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001157678651 771653449 /nfs/dbraw/zinc/65/34/49/771653449.db2.gz DXEXTEYWMFDSQX-CYBMUJFWSA-N 1 3 317.389 0.225 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001157721278 771658616 /nfs/dbraw/zinc/65/86/16/771658616.db2.gz WUKWQKBPHMNQRX-KGLIPLIRSA-N 1 3 323.462 0.943 20 0 DCADHO N[C@@H](Cc1cccc(O)c1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157741685 771661817 /nfs/dbraw/zinc/66/18/17/771661817.db2.gz ZWKVEBXCMVZHND-GOEBONIOSA-N 1 3 309.385 0.942 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001157841514 771679237 /nfs/dbraw/zinc/67/92/37/771679237.db2.gz GGGKWAMPMGRSIM-AVGNSLFASA-N 1 3 313.442 0.892 20 0 DCADHO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncnc2c1CCNC2 ZINC001157895770 771688474 /nfs/dbraw/zinc/68/84/74/771688474.db2.gz RLMRVRMOPDXOAV-UHFFFAOYSA-N 1 3 321.388 0.871 20 0 DCADHO O=C([C@H]1CNCc2ccnn2C1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160837 771731784 /nfs/dbraw/zinc/73/17/84/771731784.db2.gz MTAZXARAHPTTFT-XJKSGUPXSA-N 1 3 303.410 0.347 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196857 771738803 /nfs/dbraw/zinc/73/88/03/771738803.db2.gz PAXQTCQXIFAXNF-CQSZACIVSA-N 1 3 305.426 0.358 20 0 DCADHO CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184423189 771787249 /nfs/dbraw/zinc/78/72/49/771787249.db2.gz BCGITTNVMNDWQY-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551373 771803062 /nfs/dbraw/zinc/80/30/62/771803062.db2.gz LSHIANFCCSDJDE-GDBMZVCRSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@]1(C)CCC[NH2+]1)CC2 ZINC001158891442 771831537 /nfs/dbraw/zinc/83/15/37/771831537.db2.gz ZIGMTFIZPQURLJ-MRXNPFEDSA-N 1 3 322.453 0.332 20 0 DCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1CCCC[NH2+]1)CC2 ZINC001158890527 771832090 /nfs/dbraw/zinc/83/20/90/771832090.db2.gz GIQUSNUVBHOSMC-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184857853 771838925 /nfs/dbraw/zinc/83/89/25/771838925.db2.gz AGXHTOMNFHKISU-BFHYXJOUSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001185207129 771878851 /nfs/dbraw/zinc/87/88/51/771878851.db2.gz WBXVDMHTEXHROD-QWHCGFSZSA-N 1 3 321.425 0.115 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001185207125 771879271 /nfs/dbraw/zinc/87/92/71/771879271.db2.gz WBXVDMHTEXHROD-CHWSQXEVSA-N 1 3 321.425 0.115 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC1CC1 ZINC001185214751 771880424 /nfs/dbraw/zinc/88/04/24/771880424.db2.gz XBYSWUBURWLTDS-GXTWGEPZSA-N 1 3 322.453 0.186 20 0 DCADHO CCCC[C@@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001185214253 771880749 /nfs/dbraw/zinc/88/07/49/771880749.db2.gz RVQZSVXOJTZCFM-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001185660054 771941567 /nfs/dbraw/zinc/94/15/67/771941567.db2.gz WVDPZCWAHZEJNX-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001185660054 771941569 /nfs/dbraw/zinc/94/15/69/771941569.db2.gz WVDPZCWAHZEJNX-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1)N(C)C ZINC001185715643 771948818 /nfs/dbraw/zinc/94/88/18/771948818.db2.gz HAWAWOHOOMSTOV-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@H]21 ZINC001159783742 771957352 /nfs/dbraw/zinc/95/73/52/771957352.db2.gz WWQGCGNBQYPPEM-HZSPNIEDSA-N 1 3 310.442 0.158 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001159861035 771969876 /nfs/dbraw/zinc/96/98/76/771969876.db2.gz IULORLFGUVUITB-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)C1=O ZINC001159933007 771981060 /nfs/dbraw/zinc/98/10/60/771981060.db2.gz XSARWMNVYHANLE-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001160427768 772035672 /nfs/dbraw/zinc/03/56/72/772035672.db2.gz SNPBSAPIZRMQNT-STQMWFEESA-N 1 3 300.447 0.145 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C[C@H](N)c2ccc(OC)nc2)CC1 ZINC001160456140 772043531 /nfs/dbraw/zinc/04/35/31/772043531.db2.gz CZEVMANHYBMXLS-AWEZNQCLSA-N 1 3 306.410 0.938 20 0 DCADHO [NH3+]C[C@@]1(Nc2nc(Cl)nc3c2CCNC3)CN2CCC1CC2 ZINC001160509806 772053172 /nfs/dbraw/zinc/05/31/72/772053172.db2.gz AJTCPXHGXUDHBW-OAHLLOKOSA-N 1 3 322.844 0.611 20 0 DCADHO O=C(N1CC[C@@H](c2cccnc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160524069 772058039 /nfs/dbraw/zinc/05/80/39/772058039.db2.gz HHZJQOSFEVYOHG-BFYDXBDKSA-N 1 3 300.406 0.597 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573130 772069093 /nfs/dbraw/zinc/06/90/93/772069093.db2.gz GLDMDJHMPFDGIW-AWEZNQCLSA-N 1 3 316.405 0.318 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC(n2cnnc2)CC1 ZINC001160721999 772102680 /nfs/dbraw/zinc/10/26/80/772102680.db2.gz IRSFOLCRGUTQCQ-HNNXBMFYSA-N 1 3 322.457 0.937 20 0 DCADHO O=C(N1CCC2(C[C@H](F)CO2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160786551 772111280 /nfs/dbraw/zinc/11/12/80/772111280.db2.gz FPWISHIZDWZEFV-DVOMOZLQSA-N 1 3 311.401 0.305 20 0 DCADHO CN(C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001187091671 772135557 /nfs/dbraw/zinc/13/55/57/772135557.db2.gz KLLBVFMBTXTKML-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001187091671 772135561 /nfs/dbraw/zinc/13/55/61/772135561.db2.gz KLLBVFMBTXTKML-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC/C=C/c1cccnc1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160929082 772139374 /nfs/dbraw/zinc/13/93/74/772139374.db2.gz QPRLBVKQCALAIW-IJJSQOHJSA-N 1 3 300.406 0.752 20 0 DCADHO NC1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)Cc2ccccc2C1 ZINC001160999470 772147029 /nfs/dbraw/zinc/14/70/29/772147029.db2.gz FHRQUADGJODBQZ-OAHLLOKOSA-N 1 3 315.417 0.198 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001187232531 772149836 /nfs/dbraw/zinc/14/98/36/772149836.db2.gz ZDQOJKCYSYMWCP-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001187241197 772152220 /nfs/dbraw/zinc/15/22/20/772152220.db2.gz SEMWEKXTWGFRKL-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001187284273 772160633 /nfs/dbraw/zinc/16/06/33/772160633.db2.gz MXXPMMBBGRJTRB-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCOC[C@H]1Cc1ccccc1 ZINC001161144366 772175096 /nfs/dbraw/zinc/17/50/96/772175096.db2.gz KLYNBVLZTSPWJY-CVEARBPZSA-N 1 3 315.417 0.266 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc(N2CCOCC2)c1 ZINC001187411260 772181260 /nfs/dbraw/zinc/18/12/60/772181260.db2.gz JTOBNTVCUNAWTI-UHFFFAOYSA-N 1 3 319.409 0.598 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161296750 772198339 /nfs/dbraw/zinc/19/83/39/772198339.db2.gz ULTGBEWXVZKJOJ-STQMWFEESA-N 1 3 307.398 0.303 20 0 DCADHO N[C@H](C(=O)N1CCC[C@@H](Oc2ncccn2)C1)C1CC[NH2+]CC1 ZINC001161295085 772198351 /nfs/dbraw/zinc/19/83/51/772198351.db2.gz FPINCYKOAMAXRV-KGLIPLIRSA-N 1 3 319.409 0.173 20 0 DCADHO COc1cc(C)nc(N(C(=O)C2(N)CC2)C2CC[NH2+]CC2)n1 ZINC001161308399 772200836 /nfs/dbraw/zinc/20/08/36/772200836.db2.gz BJECQHOTPZWUCS-UHFFFAOYSA-N 1 3 305.382 0.370 20 0 DCADHO N[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380286 772214447 /nfs/dbraw/zinc/21/44/47/772214447.db2.gz SUPBHKZWPUTAER-CVEARBPZSA-N 1 3 308.470 0.918 20 0 DCADHO Cc1cnccc1O[C@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161385964 772214797 /nfs/dbraw/zinc/21/47/97/772214797.db2.gz CTXMWXWMTAQHTD-STQMWFEESA-N 1 3 324.450 0.389 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC(C)(C)C)C2)C1 ZINC001187825216 772226230 /nfs/dbraw/zinc/22/62/30/772226230.db2.gz GLEYBDZXEINRIN-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC(C)(C)C)C2)C1 ZINC001187825216 772226232 /nfs/dbraw/zinc/22/62/32/772226232.db2.gz GLEYBDZXEINRIN-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825230 772227405 /nfs/dbraw/zinc/22/74/05/772227405.db2.gz GUEDEICKCWEBIL-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825230 772227408 /nfs/dbraw/zinc/22/74/08/772227408.db2.gz GUEDEICKCWEBIL-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001161470179 772228819 /nfs/dbraw/zinc/22/88/19/772228819.db2.gz CFBZNCKSDFYLIO-QWHCGFSZSA-N 1 3 318.412 0.775 20 0 DCADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NCC1CCC1 ZINC001187835579 772232154 /nfs/dbraw/zinc/23/21/54/772232154.db2.gz YSVXCQJZGGJBAY-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H]1C(=O)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C12CCCC2 ZINC001161517437 772238368 /nfs/dbraw/zinc/23/83/68/772238368.db2.gz QEWSRKZIHYDIHH-JJRVBVJISA-N 1 3 319.449 0.936 20 0 DCADHO CC1CCN(CC(=O)NCCC2=CC[N@H+](CCO)CC2)CC1 ZINC001161554361 772244616 /nfs/dbraw/zinc/24/46/16/772244616.db2.gz PPFVBPVZUUMYSN-UHFFFAOYSA-N 1 3 309.454 0.849 20 0 DCADHO CC1CCN(CC(=O)NCCC2=CC[N@@H+](CCO)CC2)CC1 ZINC001161554361 772244623 /nfs/dbraw/zinc/24/46/23/772244623.db2.gz PPFVBPVZUUMYSN-UHFFFAOYSA-N 1 3 309.454 0.849 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)N(C)C ZINC001188100474 772266309 /nfs/dbraw/zinc/26/63/09/772266309.db2.gz TZQUGSVMBRCJJC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145710 772271734 /nfs/dbraw/zinc/27/17/34/772271734.db2.gz KMRXDBRZPZPQRJ-OAHLLOKOSA-N 1 3 307.442 0.759 20 0 DCADHO Cc1nc(NC[C@]23C[NH2+]C[C@H]2COC3)cc(N2CCOCC2)n1 ZINC001163147874 772472044 /nfs/dbraw/zinc/47/20/44/772472044.db2.gz QOQMYYROSIHJHG-BBRMVZONSA-N 1 3 319.409 0.270 20 0 DCADHO Cc1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc(N2CCOCC2)n1 ZINC001163192074 772479239 /nfs/dbraw/zinc/47/92/39/772479239.db2.gz ZMSNDDKHHSYEKC-IUODEOHRSA-N 1 3 305.382 0.164 20 0 DCADHO COC(=O)c1ccc([C@H]([NH3+])CNc2cc(CN)ncn2)cc1 ZINC001163462446 772528909 /nfs/dbraw/zinc/52/89/09/772528909.db2.gz QBZZLNJCHRPPII-CYBMUJFWSA-N 1 3 301.350 0.834 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189898899 772563578 /nfs/dbraw/zinc/56/35/78/772563578.db2.gz UBBPVZHSDABTBR-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189898899 772563583 /nfs/dbraw/zinc/56/35/83/772563583.db2.gz UBBPVZHSDABTBR-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO COC(=O)[C@H]1C[C@@H]([NH3+])CN1c1ccc(CN(C)C2CC2)cn1 ZINC001165129043 772698683 /nfs/dbraw/zinc/69/86/83/772698683.db2.gz SXGDQYWJGRQCGV-TZMCWYRMSA-N 1 3 304.394 0.755 20 0 DCADHO CNC(=O)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464845 772740593 /nfs/dbraw/zinc/74/05/93/772740593.db2.gz MIYDPCGYXWLNMN-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001165485318 772742489 /nfs/dbraw/zinc/74/24/89/772742489.db2.gz RVMAHFQUUHXPIC-YPMHNXCESA-N 1 3 310.442 0.077 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485571 772742873 /nfs/dbraw/zinc/74/28/73/772742873.db2.gz ZCQLWRBCSXQYBU-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO COCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191432060 772767857 /nfs/dbraw/zinc/76/78/57/772767857.db2.gz YPDSSJJROPNAOP-GWUWNPHMSA-N 1 3 323.437 0.029 20 0 DCADHO COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191432060 772767859 /nfs/dbraw/zinc/76/78/59/772767859.db2.gz YPDSSJJROPNAOP-GWUWNPHMSA-N 1 3 323.437 0.029 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001166010871 772778828 /nfs/dbraw/zinc/77/88/28/772778828.db2.gz SNPBSAPIZRMQNT-QWHCGFSZSA-N 1 3 300.447 0.145 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668268 772837559 /nfs/dbraw/zinc/83/75/59/772837559.db2.gz XGAQAMGYCDZNPE-ZDUSSCGKSA-N 1 3 308.430 0.236 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001166678114 772839343 /nfs/dbraw/zinc/83/93/43/772839343.db2.gz SCAPDWSJODKPLJ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO COCCOCCN(C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192048459 772856192 /nfs/dbraw/zinc/85/61/92/772856192.db2.gz YRPCLBYIAMCEMV-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N(C)C ZINC001204799236 772962427 /nfs/dbraw/zinc/96/24/27/772962427.db2.gz USPDZBUMHUSRHL-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001204798990 772962689 /nfs/dbraw/zinc/96/26/89/772962689.db2.gz QATAKNIZNDFOBA-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCNC(=O)C2CC2)C1 ZINC001193277810 773036885 /nfs/dbraw/zinc/03/68/85/773036885.db2.gz BNNSWSJEUBWLQM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCNC(=O)C2CC2)C1 ZINC001193277810 773036886 /nfs/dbraw/zinc/03/68/86/773036886.db2.gz BNNSWSJEUBWLQM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001193447170 773061205 /nfs/dbraw/zinc/06/12/05/773061205.db2.gz LOZFKSJBILONED-RBSFLKMASA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001193447170 773061209 /nfs/dbraw/zinc/06/12/09/773061209.db2.gz LOZFKSJBILONED-RBSFLKMASA-N 1 3 315.433 0.628 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+]CCCO)CC2)C1 ZINC001206288389 773062831 /nfs/dbraw/zinc/06/28/31/773062831.db2.gz PCNNWFUAKXRMOP-UHFFFAOYSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC001206287978 773062914 /nfs/dbraw/zinc/06/29/14/773062914.db2.gz LRFJBJIDKVKFHR-CYBMUJFWSA-N 1 3 324.469 0.420 20 0 DCADHO O=C(C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)NC1CC1 ZINC001206402047 773073379 /nfs/dbraw/zinc/07/33/79/773073379.db2.gz LNDRKAZFFIYKDB-UHFFFAOYSA-N 1 3 319.409 0.059 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCn2cccn2)CC1 ZINC001206401950 773073397 /nfs/dbraw/zinc/07/33/97/773073397.db2.gz HKCPCSBRAKFLDR-UHFFFAOYSA-N 1 3 316.409 0.677 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001206954244 773147149 /nfs/dbraw/zinc/14/71/49/773147149.db2.gz ARDKRTVJHVQNMM-UHFFFAOYSA-N 1 3 322.457 0.447 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1O ZINC001194259031 773169594 /nfs/dbraw/zinc/16/95/94/773169594.db2.gz QNIGMLMJHLVLSV-NEXFUWMNSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1O ZINC001194259031 773169596 /nfs/dbraw/zinc/16/95/96/773169596.db2.gz QNIGMLMJHLVLSV-NEXFUWMNSA-N 1 3 311.470 0.924 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@H]1O ZINC001194259031 773169597 /nfs/dbraw/zinc/16/95/97/773169597.db2.gz QNIGMLMJHLVLSV-NEXFUWMNSA-N 1 3 311.470 0.924 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@H]1O ZINC001194259031 773169599 /nfs/dbraw/zinc/16/95/99/773169599.db2.gz QNIGMLMJHLVLSV-NEXFUWMNSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207684445 773269550 /nfs/dbraw/zinc/26/95/50/773269550.db2.gz OEWIVTXNSQARRO-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1C ZINC001207757352 773294119 /nfs/dbraw/zinc/29/41/19/773294119.db2.gz ACBVAZCMWATOLC-HZSPNIEDSA-N 1 3 315.458 0.161 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H](O)COC)C[C@H]1C ZINC001207757352 773294123 /nfs/dbraw/zinc/29/41/23/773294123.db2.gz ACBVAZCMWATOLC-HZSPNIEDSA-N 1 3 315.458 0.161 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1C ZINC001207757352 773294127 /nfs/dbraw/zinc/29/41/27/773294127.db2.gz ACBVAZCMWATOLC-HZSPNIEDSA-N 1 3 315.458 0.161 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001207757352 773294131 /nfs/dbraw/zinc/29/41/31/773294131.db2.gz ACBVAZCMWATOLC-HZSPNIEDSA-N 1 3 315.458 0.161 20 0 DCADHO C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CC3(C)COC3)CC[C@@H]21 ZINC001207796774 773304760 /nfs/dbraw/zinc/30/47/60/773304760.db2.gz ZZWHTPBTDKNDAB-ILXRZTDVSA-N 1 3 305.426 0.709 20 0 DCADHO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(CC3(C)COC3)CC[C@@H]21 ZINC001207796774 773304768 /nfs/dbraw/zinc/30/47/68/773304768.db2.gz ZZWHTPBTDKNDAB-ILXRZTDVSA-N 1 3 305.426 0.709 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001208447022 773464184 /nfs/dbraw/zinc/46/41/84/773464184.db2.gz GAIHCBACSYTOCJ-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)CC1 ZINC001209304892 773587537 /nfs/dbraw/zinc/58/75/37/773587537.db2.gz VKRPIHDPWDIMHA-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC1CC1)C(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420053 773603678 /nfs/dbraw/zinc/60/36/78/773603678.db2.gz RLTWMSMKGWIZNJ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209454886 773607055 /nfs/dbraw/zinc/60/70/55/773607055.db2.gz ONDIUXSFOVNHQK-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[NH+](CC)CCCNC(=S)N1CCO[C@@H](CN(C)C)C1 ZINC001196664312 773628737 /nfs/dbraw/zinc/62/87/37/773628737.db2.gz QMSDMQRBVTZXIU-AWEZNQCLSA-N 1 3 316.515 0.855 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659745 773631780 /nfs/dbraw/zinc/63/17/80/773631780.db2.gz IBYTYFKNCBWKKI-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209952353 773662138 /nfs/dbraw/zinc/66/21/38/773662138.db2.gz PSVPDKAQPWSBBP-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209952353 773662140 /nfs/dbraw/zinc/66/21/40/773662140.db2.gz PSVPDKAQPWSBBP-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)C(C)C ZINC001210189397 773683054 /nfs/dbraw/zinc/68/30/54/773683054.db2.gz DVPOFKLDJJUSPL-ZFWWWQNUSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673556 773728503 /nfs/dbraw/zinc/72/85/03/773728503.db2.gz DTVBWQWDEFCNOD-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673556 773728509 /nfs/dbraw/zinc/72/85/09/773728509.db2.gz DTVBWQWDEFCNOD-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001210782325 773736555 /nfs/dbraw/zinc/73/65/55/773736555.db2.gz LGVXOZMMLZVPQC-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001210812411 773742157 /nfs/dbraw/zinc/74/21/57/773742157.db2.gz ZJYPKACVUFNVEZ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064001 773764682 /nfs/dbraw/zinc/76/46/82/773764682.db2.gz GBVQFZXRTOVJBJ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064001 773764684 /nfs/dbraw/zinc/76/46/84/773764684.db2.gz GBVQFZXRTOVJBJ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211063999 773765091 /nfs/dbraw/zinc/76/50/91/773765091.db2.gz GBVQFZXRTOVJBJ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211063999 773765096 /nfs/dbraw/zinc/76/50/96/773765096.db2.gz GBVQFZXRTOVJBJ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1 ZINC001211256474 773786363 /nfs/dbraw/zinc/78/63/63/773786363.db2.gz HINYGQPLMSGVMP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001211270269 773788990 /nfs/dbraw/zinc/78/89/90/773788990.db2.gz ZHMGTBGULOJIBR-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CCOC(=O)[C@H]1CNCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC001211362859 773795048 /nfs/dbraw/zinc/79/50/48/773795048.db2.gz UZPRGCWLFHMHAF-CYBMUJFWSA-N 1 3 309.435 0.731 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)C1 ZINC001197792799 773801255 /nfs/dbraw/zinc/80/12/55/773801255.db2.gz QCAJDSFDYDCZEO-RBSFLKMASA-N 1 3 315.433 0.629 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)C1 ZINC001197792799 773801258 /nfs/dbraw/zinc/80/12/58/773801258.db2.gz QCAJDSFDYDCZEO-RBSFLKMASA-N 1 3 315.433 0.629 20 0 DCADHO CO[C@H](C)CN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833578 773804222 /nfs/dbraw/zinc/80/42/22/773804222.db2.gz XFKVVGSQGJYJGH-CQSZACIVSA-N 1 3 301.431 0.134 20 0 DCADHO C[C@@H](O)CCCN1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197825148 773813815 /nfs/dbraw/zinc/81/38/15/773813815.db2.gz ZLLOFZYANLWIJZ-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1)OC ZINC001213378019 773839445 /nfs/dbraw/zinc/83/94/45/773839445.db2.gz BBDSHXVNLCPZBD-BFHYXJOUSA-N 1 3 301.431 0.179 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001214337941 773960981 /nfs/dbraw/zinc/96/09/81/773960981.db2.gz GLPFNXQZNRWBHU-YUELXQCFSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC001203924526 774014582 /nfs/dbraw/zinc/01/45/82/774014582.db2.gz ATYKTXLPQCMXLX-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856211 774019784 /nfs/dbraw/zinc/01/97/84/774019784.db2.gz YDDHVJUXQWJFFK-XPKDYRNWSA-N 1 3 324.469 0.288 20 0 DCADHO COCCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001215681360 774087767 /nfs/dbraw/zinc/08/77/67/774087767.db2.gz WHZQPVROBPSFEU-TZMCWYRMSA-N 1 3 310.398 0.052 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001215994046 774097324 /nfs/dbraw/zinc/09/73/24/774097324.db2.gz NRSXAJVJRSOODE-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001216465069 774118570 /nfs/dbraw/zinc/11/85/70/774118570.db2.gz ZCHFHSFLYQYMRO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001216845142 774142320 /nfs/dbraw/zinc/14/23/20/774142320.db2.gz ZBCPEEJRDLLIPO-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788078 774198499 /nfs/dbraw/zinc/19/84/99/774198499.db2.gz KSBRIZFWCUYRNF-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1cc2ncc(C)c(NC(=O)[C@H](N)C3CC[NH2+]CC3)n2n1 ZINC001218526601 774238029 /nfs/dbraw/zinc/23/80/29/774238029.db2.gz ZPEKLQMAPOSPBB-CYBMUJFWSA-N 1 3 302.382 0.612 20 0 DCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cnccc1N(C)C ZINC001218562859 774247466 /nfs/dbraw/zinc/24/74/66/774247466.db2.gz DWOVMOMGMHDNMV-HZMBPMFUSA-N 1 3 307.398 0.576 20 0 DCADHO COCCCCN1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600953 774261056 /nfs/dbraw/zinc/26/10/56/774261056.db2.gz UOFXPFVONAJUPG-LSDHHAIUSA-N 1 3 313.442 0.276 20 0 DCADHO N[C@H](C(=O)Nc1cccnc1OC1COC1)C1CC[NH2+]CC1 ZINC001218619648 774264737 /nfs/dbraw/zinc/26/47/37/774264737.db2.gz GQPIFLUVAXIXMO-ZDUSSCGKSA-N 1 3 306.366 0.125 20 0 DCADHO NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001218667274 774277231 /nfs/dbraw/zinc/27/72/31/774277231.db2.gz MEWZAARYVSHGNJ-NJGYIYPDSA-N 1 3 318.164 0.115 20 0 DCADHO CN(CC(=O)Nc1cc([C@H]2CCCN2)no1)[C@H]1CCC[NH2+]C1 ZINC001218710267 774285635 /nfs/dbraw/zinc/28/56/35/774285635.db2.gz DMJNPMDGUQYTTL-NWDGAFQWSA-N 1 3 307.398 0.721 20 0 DCADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218711647 774286414 /nfs/dbraw/zinc/28/64/14/774286414.db2.gz LUYXCMLRZWFONW-JBLDHEPKSA-N 1 3 308.338 0.189 20 0 DCADHO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218818279 774309997 /nfs/dbraw/zinc/30/99/97/774309997.db2.gz SUBRADIMRQCJJD-AWEZNQCLSA-N 1 3 314.389 0.561 20 0 DCADHO NC(=O)c1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1Cl ZINC001218951613 774334167 /nfs/dbraw/zinc/33/41/67/774334167.db2.gz MPGKAHMYCJEZSC-GFCCVEGCSA-N 1 3 310.785 0.704 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)Nc1ccccc1-c1nc[nH]n1 ZINC001218975057 774339152 /nfs/dbraw/zinc/33/91/52/774339152.db2.gz JAELUBMGEUFDTC-JTQLQIEISA-N 1 3 306.395 0.429 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218994290 774343382 /nfs/dbraw/zinc/34/33/82/774343382.db2.gz CAZBHVXORJFVQX-GXTWGEPZSA-N 1 3 305.378 0.983 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996141 774344667 /nfs/dbraw/zinc/34/46/67/774344667.db2.gz IKALAGKFUQEQDS-GMXVVIOVSA-N 1 3 304.394 0.554 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001219029995 774349933 /nfs/dbraw/zinc/34/99/33/774349933.db2.gz YFYMEHFOOTXWKA-DJSGYFEHSA-N 1 3 317.389 0.732 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219027862 774350632 /nfs/dbraw/zinc/35/06/32/774350632.db2.gz FHJUSEZNXCEEQL-KNXALSJPSA-N 1 3 317.389 0.874 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200687668 774389778 /nfs/dbraw/zinc/38/97/78/774389778.db2.gz FAZQGHPIWUPFEM-AWEZNQCLSA-N 1 3 313.442 0.324 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066230 774441495 /nfs/dbraw/zinc/44/14/95/774441495.db2.gz IRECBLKAJDWGFS-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001201150010 774454672 /nfs/dbraw/zinc/45/46/72/774454672.db2.gz SOADZEPXNKARAD-INIZCTEOSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001201327341 774488508 /nfs/dbraw/zinc/48/85/08/774488508.db2.gz LSYIKJOALRGRRS-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001219724448 774591696 /nfs/dbraw/zinc/59/16/96/774591696.db2.gz LOZFKSJBILONED-ZNMIVQPWSA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219724448 774591697 /nfs/dbraw/zinc/59/16/97/774591697.db2.gz LOZFKSJBILONED-ZNMIVQPWSA-N 1 3 315.433 0.628 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219780397 774606543 /nfs/dbraw/zinc/60/65/43/774606543.db2.gz WQISUPWFWZPYMJ-FZMZJTMJSA-N 1 3 310.442 0.124 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162866 774609696 /nfs/dbraw/zinc/60/96/96/774609696.db2.gz AUVGUQRBVNINPD-CABCVRRESA-N 1 3 315.458 0.569 20 0 DCADHO CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219803744 774613515 /nfs/dbraw/zinc/61/35/15/774613515.db2.gz FADDEJXUBFXQIH-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219803744 774613518 /nfs/dbraw/zinc/61/35/18/774613518.db2.gz FADDEJXUBFXQIH-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1ccc2c(c1)CNC2 ZINC001219802787 774613671 /nfs/dbraw/zinc/61/36/71/774613671.db2.gz CELDRNSCOJPKBR-HNNXBMFYSA-N 1 3 301.390 0.788 20 0 DCADHO COCCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219830188 774623195 /nfs/dbraw/zinc/62/31/95/774623195.db2.gz QLNBEZFEZHRUCS-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO COCCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830188 774623196 /nfs/dbraw/zinc/62/31/96/774623196.db2.gz QLNBEZFEZHRUCS-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219856329 774629179 /nfs/dbraw/zinc/62/91/79/774629179.db2.gz ILZQRFBQPHQHEE-BPKGMFCQSA-N 1 3 315.417 0.973 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2O1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219925826 774648622 /nfs/dbraw/zinc/64/86/22/774648622.db2.gz XRTQBBPQLXXSCI-CKEIUWERSA-N 1 3 301.390 0.305 20 0 DCADHO O=C(NCc1ccc2nonc2c1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219965351 774657115 /nfs/dbraw/zinc/65/71/15/774657115.db2.gz KFQUJLKBKLVAFH-ZDUSSCGKSA-N 1 3 315.377 0.713 20 0 DCADHO O=C(NCc1ccc2nonc2c1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219965351 774657120 /nfs/dbraw/zinc/65/71/20/774657120.db2.gz KFQUJLKBKLVAFH-ZDUSSCGKSA-N 1 3 315.377 0.713 20 0 DCADHO N=C(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(F)cn1 ZINC001220170537 774718935 /nfs/dbraw/zinc/71/89/35/774718935.db2.gz NBVDQLJWNDOLSO-LBPRGKRZSA-N 1 3 305.357 0.536 20 0 DCADHO N=C(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(F)cn1 ZINC001220170537 774718942 /nfs/dbraw/zinc/71/89/42/774718942.db2.gz NBVDQLJWNDOLSO-LBPRGKRZSA-N 1 3 305.357 0.536 20 0 DCADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001220317330 774769733 /nfs/dbraw/zinc/76/97/33/774769733.db2.gz XYTVDVCTPZLCGH-DIECFANBSA-N 1 3 323.437 0.172 20 0 DCADHO O=C(Nc1cccn(CC2CC2)c1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220340742 774778913 /nfs/dbraw/zinc/77/89/13/774778913.db2.gz OABQQPGLHOFQFB-CXAGYDPISA-N 1 3 316.405 0.396 20 0 DCADHO COc1cc2c(cc1C)C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001220378578 774787702 /nfs/dbraw/zinc/78/77/02/774787702.db2.gz BSALXDHKXYMTEJ-KGLIPLIRSA-N 1 3 323.462 0.606 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114352546 774810499 /nfs/dbraw/zinc/81/04/99/774810499.db2.gz BZZHHQFLGGSDBQ-RQJABVFESA-N 1 3 301.406 0.095 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114352546 774810505 /nfs/dbraw/zinc/81/05/05/774810505.db2.gz BZZHHQFLGGSDBQ-RQJABVFESA-N 1 3 301.406 0.095 20 0 DCADHO C[NH+]1C(C)(C)CC(NC(=O)[C@H]2COC3(CNC3)CN2)CC1(C)C ZINC001220510840 774830058 /nfs/dbraw/zinc/83/00/58/774830058.db2.gz LUYXILSLSVBDHN-CYBMUJFWSA-N 1 3 324.469 0.084 20 0 DCADHO COC(CCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)OC ZINC001220741355 774906713 /nfs/dbraw/zinc/90/67/13/774906713.db2.gz MDVXXNZVCGAGCW-ZDUSSCGKSA-N 1 3 303.447 0.997 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](CC)OC)C[C@@H]1O ZINC001220826237 774926340 /nfs/dbraw/zinc/92/63/40/774926340.db2.gz TXXCQYKWEBYAHV-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](CC)OC)C[C@@H]1O ZINC001220826237 774926343 /nfs/dbraw/zinc/92/63/43/774926343.db2.gz TXXCQYKWEBYAHV-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO CCOC(=O)C1=C(NC(=O)c2ccc3c(c2)CNC3)C[NH2+]C1 ZINC001220836360 774930509 /nfs/dbraw/zinc/93/05/09/774930509.db2.gz JFRZRXMZIJDWSV-UHFFFAOYSA-N 1 3 301.346 0.440 20 0 DCADHO CCc1ccc(CN(CC[NH3+])C(=O)C[C@H]2CNCCO2)cc1 ZINC001220902857 774947088 /nfs/dbraw/zinc/94/70/88/774947088.db2.gz CZGCOCZVGJEAOV-INIZCTEOSA-N 1 3 305.422 0.915 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936944 774957602 /nfs/dbraw/zinc/95/76/02/774957602.db2.gz KNIHUWCQLBZDLK-HOTGVXAUSA-N 1 3 321.421 0.286 20 0 DCADHO Nc1ccc([C@H](CCO)NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001220952976 774960973 /nfs/dbraw/zinc/96/09/73/774960973.db2.gz JJJYTMZYLQWZRO-UKPHBRMFSA-N 1 3 318.421 0.008 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NCc1cn(Cc2ccncc2)cn1 ZINC001221026564 774982969 /nfs/dbraw/zinc/98/29/69/774982969.db2.gz ZEKQTDLWHXVORO-CQSZACIVSA-N 1 3 302.382 0.009 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202669115 774985124 /nfs/dbraw/zinc/98/51/24/774985124.db2.gz YBZRSLIJJFBHRW-LBPRGKRZSA-N 1 3 321.425 0.448 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202673184 774985725 /nfs/dbraw/zinc/98/57/25/774985725.db2.gz JDJVNBACXIZTJK-GFCCVEGCSA-N 1 3 321.425 0.448 20 0 DCADHO O=C(CNC1CC[NH2+]CC1)N[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001221056646 774986906 /nfs/dbraw/zinc/98/69/06/774986906.db2.gz WZDBUOPIRCJKAA-WKILWMFISA-N 1 3 324.469 0.088 20 0 DCADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000316840512 774989888 /nfs/dbraw/zinc/98/98/88/774989888.db2.gz RAUCYSFJDWXLOQ-OAGGEKHMSA-N 1 3 303.406 0.708 20 0 DCADHO NC(C(=O)NC1(c2cccnc2)CC[NH2+]CC1)C(F)(F)F ZINC001221123937 775000628 /nfs/dbraw/zinc/00/06/28/775000628.db2.gz PHXDETBVQRPIDE-JTQLQIEISA-N 1 3 302.300 0.666 20 0 DCADHO N[C@H](C(=O)NCc1cc(OCC2CC2)ncn1)C1CC[NH2+]CC1 ZINC001221157372 775010979 /nfs/dbraw/zinc/01/09/79/775010979.db2.gz GLDCXLNDAOFCTH-HNNXBMFYSA-N 1 3 319.409 0.209 20 0 DCADHO O=C(N[C@H]1CCOc2c(F)cc(F)cc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001221258752 775047608 /nfs/dbraw/zinc/04/76/08/775047608.db2.gz MOXHSJZPIFFVFH-AAEUAGOBSA-N 1 3 323.343 0.714 20 0 DCADHO C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cccc(N(C)C)c1 ZINC001221314160 775064766 /nfs/dbraw/zinc/06/47/66/775064766.db2.gz LBRZUUZNKQFCSL-SWLSCSKDSA-N 1 3 302.422 0.739 20 0 DCADHO CC(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001221336115 775072874 /nfs/dbraw/zinc/07/28/74/775072874.db2.gz KYJBASWFJZNNQE-ABAIWWIYSA-N 1 3 316.405 0.631 20 0 DCADHO COCC1(NC(=O)[C@H](N)C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC001221396348 775085613 /nfs/dbraw/zinc/08/56/13/775085613.db2.gz MVCZIKSGLQEGSB-MRXNPFEDSA-N 1 3 317.433 0.614 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)CN2CCCC[C@H](N)C2=O)[C@@H](C)C1 ZINC001221408449 775091200 /nfs/dbraw/zinc/09/12/00/775091200.db2.gz PYAPNOZITOTLGR-KKUMJFAQSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCCC[C@H](N)C2=O)[C@@H](C)C1 ZINC001221408449 775091204 /nfs/dbraw/zinc/09/12/04/775091204.db2.gz PYAPNOZITOTLGR-KKUMJFAQSA-N 1 3 324.469 0.561 20 0 DCADHO [NH3+][C@H](Cc1ccccc1)CN1CCOC[C@@]2(CNCCO2)C1 ZINC001222186294 775293648 /nfs/dbraw/zinc/29/36/48/775293648.db2.gz CTDJEKBEKFSSRQ-IAGOWNOFSA-N 1 3 305.422 0.247 20 0 DCADHO c1cc(CN2CCOC[C@]3(CNCCO3)C2)cc2c1C[NH2+]C2 ZINC001222190458 775296456 /nfs/dbraw/zinc/29/64/56/775296456.db2.gz BUYRWDHJJVXYIW-KRWDZBQOSA-N 1 3 303.406 0.481 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225167846 775652543 /nfs/dbraw/zinc/65/25/43/775652543.db2.gz CZSFZVWBHZSHQE-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225167846 775652548 /nfs/dbraw/zinc/65/25/48/775652548.db2.gz CZSFZVWBHZSHQE-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CCN(CCOCCO)CC1)[NH+](C)C ZINC001227900629 776021591 /nfs/dbraw/zinc/02/15/91/776021591.db2.gz WWHRIYHGBBSFIV-HNNXBMFYSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)NC1CC[NH+](CCn2cccn2)CC1)N(C)C ZINC001227960960 776030942 /nfs/dbraw/zinc/03/09/42/776030942.db2.gz LMTFFZIFCOEZLN-OAHLLOKOSA-N 1 3 307.442 0.804 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229504200 776196544 /nfs/dbraw/zinc/19/65/44/776196544.db2.gz QEHNEWYJYWQEDD-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229504200 776196550 /nfs/dbraw/zinc/19/65/50/776196550.db2.gz QEHNEWYJYWQEDD-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001229907876 776234663 /nfs/dbraw/zinc/23/46/63/776234663.db2.gz AOPMTAAMSGJCFM-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001229907876 776234667 /nfs/dbraw/zinc/23/46/67/776234667.db2.gz AOPMTAAMSGJCFM-UHFFFAOYSA-N 1 3 308.430 0.201 20 0 DCADHO COCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357656 777224856 /nfs/dbraw/zinc/22/48/56/777224856.db2.gz IAVWQQRUPNZKTI-RDJZCZTQSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357656 777224860 /nfs/dbraw/zinc/22/48/60/777224860.db2.gz IAVWQQRUPNZKTI-RDJZCZTQSA-N 1 3 309.454 0.897 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001317598649 945101560 /nfs/dbraw/zinc/10/15/60/945101560.db2.gz JVAYXYUWODDNEC-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CN(C)C1CCC1 ZINC001278263265 945199921 /nfs/dbraw/zinc/19/99/21/945199921.db2.gz HNKCTTSGLRWUGP-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOCC(F)F ZINC001480865114 939051410 /nfs/dbraw/zinc/05/14/10/939051410.db2.gz BXUBOGHURBMYOQ-ZDUSSCGKSA-N 1 3 319.396 0.658 20 0 DCADHO Cc1noc(CCC[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001266660748 939195356 /nfs/dbraw/zinc/19/53/56/939195356.db2.gz RNSDJUIJCHJZCV-ZDUSSCGKSA-N 1 3 309.414 0.453 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001273123002 945277767 /nfs/dbraw/zinc/27/77/67/945277767.db2.gz MCGXUZZURROOMS-ZFWWWQNUSA-N 1 3 322.453 0.710 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481498201 939903102 /nfs/dbraw/zinc/90/31/02/939903102.db2.gz PJFHLHCAIICJTG-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001481627703 939979924 /nfs/dbraw/zinc/97/99/24/939979924.db2.gz FPQXEGAXULJTDS-ZFWWWQNUSA-N 1 3 315.433 0.751 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCN1CCCC1=O ZINC001268419376 940116275 /nfs/dbraw/zinc/11/62/75/940116275.db2.gz LYKIZZOEZXPUAO-GFCCVEGCSA-N 1 3 321.425 0.367 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001481992121 940201818 /nfs/dbraw/zinc/20/18/18/940201818.db2.gz UYNPSKQEKZBFOA-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001268542046 940225733 /nfs/dbraw/zinc/22/57/33/940225733.db2.gz LEXZCZFSYAXYES-BYOPPYECSA-N 1 3 322.453 0.257 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001268542046 940225734 /nfs/dbraw/zinc/22/57/34/940225734.db2.gz LEXZCZFSYAXYES-BYOPPYECSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+][C@H]1CCNC1=O ZINC001482142918 940280976 /nfs/dbraw/zinc/28/09/76/940280976.db2.gz LQVTZNRJZGYMBT-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO COC(=O)[C@H](O)CN[C@@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001245998765 945309353 /nfs/dbraw/zinc/30/93/53/945309353.db2.gz IISPLNMRMFACEC-HUUCEWRRSA-N 1 3 310.369 0.990 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@H]2CCCNC2=O)CCC1 ZINC001268797376 940364363 /nfs/dbraw/zinc/36/43/63/940364363.db2.gz LFIKRYLIMYLKTO-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO COc1cccc2c1C[C@H]([NH2+]C[C@]1(O)CCNC[C@@H]1F)CO2 ZINC001246090029 945337683 /nfs/dbraw/zinc/33/76/83/945337683.db2.gz VEKLYOJQELZWAG-KNXALSJPSA-N 1 3 310.369 0.651 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](NC[C@H]2CCC3(CCNCC3)[NH2+]2)CN1 ZINC001246143364 945344424 /nfs/dbraw/zinc/34/44/24/945344424.db2.gz JZAAAYROAWYEET-CKEIUWERSA-N 1 3 324.469 0.134 20 0 DCADHO C[C@@]1(C[NH2+]CCn2cccn2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001270807152 940996511 /nfs/dbraw/zinc/99/65/11/940996511.db2.gz VOQBLWASCFAUSS-INIZCTEOSA-N 1 3 316.409 0.677 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001482443054 941222925 /nfs/dbraw/zinc/22/29/25/941222925.db2.gz AHIFWVROAMKQPK-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)NC2CN(C(=O)C3(C[NH+](C)C)CC3)C2)CCC1 ZINC001409064370 941304365 /nfs/dbraw/zinc/30/43/65/941304365.db2.gz FGCZJXHRMCVCMO-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001482475867 941307041 /nfs/dbraw/zinc/30/70/41/941307041.db2.gz ZWTZHEOBDUONHM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001482667958 941616162 /nfs/dbraw/zinc/61/61/62/941616162.db2.gz ULERUSHNQYVBBD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN1CC[C@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@H]21 ZINC001482667958 941616163 /nfs/dbraw/zinc/61/61/63/941616163.db2.gz ULERUSHNQYVBBD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC/C=C/Cl ZINC001482738959 941650830 /nfs/dbraw/zinc/65/08/30/941650830.db2.gz NPYFDCWHSYXPRT-SJXJOUCVSA-N 1 3 303.834 0.680 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNC/C=C/Cl ZINC001482738959 941650832 /nfs/dbraw/zinc/65/08/32/941650832.db2.gz NPYFDCWHSYXPRT-SJXJOUCVSA-N 1 3 303.834 0.680 20 0 DCADHO C[C@@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)c1ccccc1F ZINC001482764131 941660249 /nfs/dbraw/zinc/66/02/49/941660249.db2.gz KEJIVPPJKKKUKH-OLZOCXBDSA-N 1 3 311.401 0.905 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001482949589 941725464 /nfs/dbraw/zinc/72/54/64/941725464.db2.gz WSBHGSNPWVTPDE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950231 941726963 /nfs/dbraw/zinc/72/69/63/941726963.db2.gz KAPYFBAWAPICLY-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482950231 941726974 /nfs/dbraw/zinc/72/69/74/941726974.db2.gz KAPYFBAWAPICLY-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001483009672 941773939 /nfs/dbraw/zinc/77/39/39/941773939.db2.gz VKKODYLIJPKYOG-FWZDYSKGSA-N 1 3 310.442 0.065 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001483009672 941773942 /nfs/dbraw/zinc/77/39/42/941773942.db2.gz VKKODYLIJPKYOG-FWZDYSKGSA-N 1 3 310.442 0.065 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001409278556 941867711 /nfs/dbraw/zinc/86/77/11/941867711.db2.gz IVCXWIPEUGILRV-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483128476 941877508 /nfs/dbraw/zinc/87/75/08/941877508.db2.gz FWMPOPACDPRNHX-DOMZBBRYSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483142231 941905980 /nfs/dbraw/zinc/90/59/80/941905980.db2.gz YUDBDJQROZKLAI-KGLIPLIRSA-N 1 3 322.453 0.235 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483141875 941906347 /nfs/dbraw/zinc/90/63/47/941906347.db2.gz SXNLBYUMWQDRHJ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483162025 941916994 /nfs/dbraw/zinc/91/69/94/941916994.db2.gz YYJLHUZJANEUSR-GFCCVEGCSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001483197186 941931811 /nfs/dbraw/zinc/93/18/11/941931811.db2.gz ZRIXEGAUEFBJJJ-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO O=C(C(=O)N1CCC[C@]12CC[NH2+]C2)N1CC[C@H](N2CCCC2)C1 ZINC000905008774 941995762 /nfs/dbraw/zinc/99/57/62/941995762.db2.gz AGHCHVVOHIDAHU-WMLDXEAASA-N 1 3 320.437 0.038 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC001413004096 942193935 /nfs/dbraw/zinc/19/39/35/942193935.db2.gz ZMSNUKAXTOOILC-KRWDZBQOSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC001413004096 942193937 /nfs/dbraw/zinc/19/39/37/942193937.db2.gz ZMSNUKAXTOOILC-KRWDZBQOSA-N 1 3 322.497 0.813 20 0 DCADHO CN(CCC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@H]1CCCCN1C ZINC001483474263 942376897 /nfs/dbraw/zinc/37/68/97/942376897.db2.gz IGDYCOWPTPZZGB-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001483485855 942382472 /nfs/dbraw/zinc/38/24/72/942382472.db2.gz MSABYMQQGVIYHD-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001077440958 942418252 /nfs/dbraw/zinc/41/82/52/942418252.db2.gz YSIOKFZXHBRHST-ZACQAIPSSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O)[C@H](C1CC1)N1CCCC1 ZINC001077440958 942418255 /nfs/dbraw/zinc/41/82/55/942418255.db2.gz YSIOKFZXHBRHST-ZACQAIPSSA-N 1 3 321.465 0.822 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083668719 942448733 /nfs/dbraw/zinc/44/87/33/942448733.db2.gz CSEGZSZUAJBAFJ-SJORKVTESA-N 1 3 319.449 0.974 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001483599111 942451396 /nfs/dbraw/zinc/45/13/96/942451396.db2.gz PVIMLPSYBMCKKB-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001483599111 942451399 /nfs/dbraw/zinc/45/13/99/942451399.db2.gz PVIMLPSYBMCKKB-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCn2cccn2)CC1)C1CCC1 ZINC001483740460 942839204 /nfs/dbraw/zinc/83/92/04/942839204.db2.gz HKGSHMYWRAFPQY-UHFFFAOYSA-N 1 3 305.426 0.606 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](NC(=O)CC[NH+](C)C)C(C)C ZINC001409894536 942881020 /nfs/dbraw/zinc/88/10/20/942881020.db2.gz GGUNSMPMKTWMOY-AWEZNQCLSA-N 1 3 323.441 0.469 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CCNCc3cnns3)C2)C1 ZINC001272641234 942881244 /nfs/dbraw/zinc/88/12/44/942881244.db2.gz CFDKRDSQGRTXAZ-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CCNCc3cnns3)C2)C1 ZINC001272641234 942881247 /nfs/dbraw/zinc/88/12/47/942881247.db2.gz CFDKRDSQGRTXAZ-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001483794942 942958829 /nfs/dbraw/zinc/95/88/29/942958829.db2.gz YPCZOYRXBVKJJE-OKILXGFUSA-N 1 3 320.441 0.389 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001483942426 943040340 /nfs/dbraw/zinc/04/03/40/943040340.db2.gz MYVMLTYDNTXQBD-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001413562423 943077364 /nfs/dbraw/zinc/07/73/64/943077364.db2.gz GWTPRGWOQAAUJS-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@H](C)CN1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001484444292 943390504 /nfs/dbraw/zinc/39/05/04/943390504.db2.gz SGNYDKVMUJXNMX-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO CC1CC(C[NH2+]CCN(CCO)C(=O)CN2CC[C@H](C)C2)C1 ZINC001484493344 943421994 /nfs/dbraw/zinc/42/19/94/943421994.db2.gz DWFZNXFFZGEESD-FHERZECASA-N 1 3 311.470 0.785 20 0 DCADHO CCCCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001484662346 943499197 /nfs/dbraw/zinc/49/91/97/943499197.db2.gz DGONZRUYRWUFJQ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001484662346 943499199 /nfs/dbraw/zinc/49/91/99/943499199.db2.gz DGONZRUYRWUFJQ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001484907730 943623394 /nfs/dbraw/zinc/62/33/94/943623394.db2.gz WAYOZTZMHLHENN-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001484907730 943623396 /nfs/dbraw/zinc/62/33/96/943623396.db2.gz WAYOZTZMHLHENN-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001490957842 943688229 /nfs/dbraw/zinc/68/82/29/943688229.db2.gz FRDWQZOAWVIKLR-RBSFLKMASA-N 1 3 324.469 0.573 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)N(C)C ZINC001491030951 943716963 /nfs/dbraw/zinc/71/69/63/943716963.db2.gz GCSSFPUJOHPPRR-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1)N(C)C ZINC001491029775 943717344 /nfs/dbraw/zinc/71/73/44/943717344.db2.gz IBPQTDXBKUUUPY-YVECIDJPSA-N 1 3 319.396 0.988 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001491363109 943937611 /nfs/dbraw/zinc/93/76/11/943937611.db2.gz KVVVYESOPZUTMC-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491477057 944031494 /nfs/dbraw/zinc/03/14/94/944031494.db2.gz FWGUYGDDBGLVKX-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CN(CC(=O)NC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485762856 944125029 /nfs/dbraw/zinc/12/50/29/944125029.db2.gz JPWHHLDKRNKGSL-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890589 944155370 /nfs/dbraw/zinc/15/53/70/944155370.db2.gz PSCOOKUNHDJZAN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890589 944155372 /nfs/dbraw/zinc/15/53/72/944155372.db2.gz PSCOOKUNHDJZAN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001494092333 944171254 /nfs/dbraw/zinc/17/12/54/944171254.db2.gz WQULMGDOFDYTQA-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCN1CCCC1=O ZINC001485881345 944376974 /nfs/dbraw/zinc/37/69/74/944376974.db2.gz GFQRAEJPZAESRR-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)[C@H]1C ZINC001486092018 944550051 /nfs/dbraw/zinc/55/00/51/944550051.db2.gz LNVHIEMNLVDSJZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001486120427 944578083 /nfs/dbraw/zinc/57/80/83/944578083.db2.gz AUNBJGFXMMPOMS-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO COCCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001486132159 944587936 /nfs/dbraw/zinc/58/79/36/944587936.db2.gz ZWPZSLLYUZHMOA-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)[C@H](C)C(=O)NC ZINC001316901187 944629410 /nfs/dbraw/zinc/62/94/10/944629410.db2.gz BALJXZLAZOWQNT-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(=O)n1C ZINC001277316794 944757825 /nfs/dbraw/zinc/75/78/25/944757825.db2.gz VISGEWTZDRYPDW-HOTGVXAUSA-N 1 3 304.438 0.596 20 0 DCADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(=O)n1C ZINC001277316794 944757830 /nfs/dbraw/zinc/75/78/30/944757830.db2.gz VISGEWTZDRYPDW-HOTGVXAUSA-N 1 3 304.438 0.596 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1)N(C)C ZINC001317060923 944766925 /nfs/dbraw/zinc/76/69/25/944766925.db2.gz PTKWMODPDGNDCX-XQQFMLRXSA-N 1 3 319.396 0.941 20 0 DCADHO COC(=O)[C@H](C)CN1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277512490 944853304 /nfs/dbraw/zinc/85/33/04/944853304.db2.gz QTGVRNGVLVGSEA-OCCSQVGLSA-N 1 3 323.437 0.328 20 0 DCADHO C[NH+](C)CCN1CC[C@H]2CN(CCS(C)(=O)=O)C[C@H]2CC1 ZINC001277588609 944894673 /nfs/dbraw/zinc/89/46/73/944894673.db2.gz OCNMCCKPQXZTQF-GASCZTMLSA-N 1 3 317.499 0.236 20 0 DCADHO CN(CCOCC[NH2+]C/C=C\Cl)C(=O)[C@H]1CCCN1C ZINC001486493313 944925805 /nfs/dbraw/zinc/92/58/05/944925805.db2.gz SQSWVTUTTVZQNC-RYWCDNDXSA-N 1 3 303.834 0.898 20 0 DCADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]CCO)cc1F)N(C)C ZINC001486524510 944954085 /nfs/dbraw/zinc/95/40/85/944954085.db2.gz GPWQCCRVRKKYBK-HNNXBMFYSA-N 1 3 311.401 0.864 20 0 DCADHO NC1(C(=O)NCc2ccccc2)CCN(C2CC[NH2+]CC2)CC1 ZINC001246377545 945399154 /nfs/dbraw/zinc/39/91/54/945399154.db2.gz GJPJIERLHHQXAT-UHFFFAOYSA-N 1 3 316.449 0.848 20 0 DCADHO CC(C)(C)[C@@H]1C[C@H](N2CCOC[C@@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246599324 945438639 /nfs/dbraw/zinc/43/86/39/945438639.db2.gz CGAZEAKNUDUVOV-HLLBOEOZSA-N 1 3 311.470 0.844 20 0 DCADHO c1ccc(CN2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246700173 945464448 /nfs/dbraw/zinc/46/44/48/945464448.db2.gz BWEFUNYOVCKCBE-INIZCTEOSA-N 1 3 301.438 0.293 20 0 DCADHO C[C@@H]1CC[C@H](N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)C[NH2+]1 ZINC001246710305 945468519 /nfs/dbraw/zinc/46/85/19/945468519.db2.gz QXGUCMRBCHKHBG-QKPAOTATSA-N 1 3 317.437 0.754 20 0 DCADHO Cc1noc([C@]23COC[C@H]2CN(C2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)n1 ZINC001246724228 945473615 /nfs/dbraw/zinc/47/36/15/945473615.db2.gz XQBRAESKUKZAOF-TVRKVIKTSA-N 1 3 304.394 0.861 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CCN1 ZINC001246731763 945476036 /nfs/dbraw/zinc/47/60/36/945476036.db2.gz YJRAMAVFSHNPPE-OXGONZEZSA-N 1 3 323.437 0.913 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CCN1 ZINC001246731763 945476042 /nfs/dbraw/zinc/47/60/42/945476042.db2.gz YJRAMAVFSHNPPE-OXGONZEZSA-N 1 3 323.437 0.913 20 0 DCADHO CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21 ZINC001246736514 945479316 /nfs/dbraw/zinc/47/93/16/945479316.db2.gz MPUOGLCZFHGISW-FMKPAKJESA-N 1 3 309.454 0.848 20 0 DCADHO CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21 ZINC001246736514 945479321 /nfs/dbraw/zinc/47/93/21/945479321.db2.gz MPUOGLCZFHGISW-FMKPAKJESA-N 1 3 309.454 0.848 20 0 DCADHO O=C(NC1CCC1)c1nn([C@H]2CCC[NH2+]C2)c2c1CNCC2 ZINC001246744106 945480412 /nfs/dbraw/zinc/48/04/12/945480412.db2.gz JCLVXVUUCSQDBC-LBPRGKRZSA-N 1 3 303.410 0.736 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H]1CCN(Cc2ccccc2)C1 ZINC001246903617 945514957 /nfs/dbraw/zinc/51/49/57/945514957.db2.gz KEXRFCIFVPLXJX-XHSDSOJGSA-N 1 3 303.406 0.836 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CCC(N2CCOCC2)CC1 ZINC001246905402 945515673 /nfs/dbraw/zinc/51/56/73/945515673.db2.gz OOFGAAJLLZMCDO-URGYJCLVSA-N 1 3 311.426 0.204 20 0 DCADHO C[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)C[NH2+]CC[C@@H]1O ZINC001247754051 945571438 /nfs/dbraw/zinc/57/14/38/945571438.db2.gz PYMHLLUGYQQWQT-BBRMVZONSA-N 1 3 315.377 0.389 20 0 DCADHO c1cc2c(cc1-c1noc(C34CNCC3C[NH2+]C4)n1)OCCO2 ZINC001247850261 945578576 /nfs/dbraw/zinc/57/85/76/945578576.db2.gz JPNVVBJTJHJRFP-UHFFFAOYSA-N 1 3 314.345 0.568 20 0 DCADHO CN1CCCN(CC[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC001252655363 945976224 /nfs/dbraw/zinc/97/62/24/945976224.db2.gz STNDXORHHSWVAB-OAHLLOKOSA-N 1 3 311.426 0.384 20 0 DCADHO Cc1n[nH]c(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC001252945613 946039738 /nfs/dbraw/zinc/03/97/38/946039738.db2.gz FOUGRIVGQZSPDL-KRWDZBQOSA-N 1 3 315.421 0.882 20 0 DCADHO CCn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001410233187 946071379 /nfs/dbraw/zinc/07/13/79/946071379.db2.gz NVGYXNMIHQMQJN-HDJSIYSDSA-N 1 3 322.457 0.623 20 0 DCADHO CC[NH+](CC)C[C@@H](O)CN1CCC(C)(N2CCOCC2)CC1 ZINC001253187715 946087744 /nfs/dbraw/zinc/08/77/44/946087744.db2.gz IRTVFLRSYMCJHN-MRXNPFEDSA-N 1 3 313.486 0.876 20 0 DCADHO CN1CCC[C@H](NC/C=C\CNC(=O)CCC[NH+](C)C)C1=O ZINC001321224481 946223910 /nfs/dbraw/zinc/22/39/10/946223910.db2.gz ZXZWTQOGSZWFLF-WSNITJDQSA-N 1 3 310.442 0.211 20 0 DCADHO Nc1ccncc1-c1cn(C[C@H]2C[C@]3(CO2)CCC[NH2+]C3)nn1 ZINC001254067381 946231164 /nfs/dbraw/zinc/23/11/64/946231164.db2.gz HXZIJAMXXUDAEY-MLGOLLRUSA-N 1 3 314.393 0.911 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001410446665 946389196 /nfs/dbraw/zinc/38/91/96/946389196.db2.gz XMCQSDLYMANILM-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001410446665 946389206 /nfs/dbraw/zinc/38/92/06/946389206.db2.gz XMCQSDLYMANILM-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO COC(=O)CCN(CCC[NH+](C)C)C1CCN(C(C)=O)CC1 ZINC001254426117 946391919 /nfs/dbraw/zinc/39/19/19/946391919.db2.gz RPLRTCICGDRJBT-UHFFFAOYSA-N 1 3 313.442 0.814 20 0 DCADHO CN1CCC[C@H]([NH2+]CCS(=O)(=O)N2CCCCC2)CC1 ZINC001254499833 946400132 /nfs/dbraw/zinc/40/01/32/946400132.db2.gz BWKYTMVSBKNLOC-AWEZNQCLSA-N 1 3 303.472 0.876 20 0 DCADHO CS(=O)(=O)N(C1CC[NH2+]CC1)[C@H]1CC2CCN(CC2)C1 ZINC001254854312 946440308 /nfs/dbraw/zinc/44/03/08/946440308.db2.gz YPMNJZIMUOKKIP-AWEZNQCLSA-N 1 3 301.456 0.484 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCOCC1)CC2 ZINC001255039890 946461343 /nfs/dbraw/zinc/46/13/43/946461343.db2.gz YXGWYDYRZGMALZ-UHFFFAOYSA-N 1 3 319.449 0.990 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCOCC1)CC2 ZINC001255039890 946461350 /nfs/dbraw/zinc/46/13/50/946461350.db2.gz YXGWYDYRZGMALZ-UHFFFAOYSA-N 1 3 319.449 0.990 20 0 DCADHO CC[C@H](N[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001410499433 946489113 /nfs/dbraw/zinc/48/91/13/946489113.db2.gz FQZPSBORGPHOER-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001322525036 946708832 /nfs/dbraw/zinc/70/88/32/946708832.db2.gz OQJQDQVWJSDTSE-HUUCEWRRSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCN2CCCC2=O)C1 ZINC001322694110 946770975 /nfs/dbraw/zinc/77/09/75/946770975.db2.gz NTFJAHAIVBPXHL-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC1(C)C ZINC001258414074 946835146 /nfs/dbraw/zinc/83/51/46/946835146.db2.gz PZTYIGASSBXRTN-CYBMUJFWSA-N 1 3 312.458 0.101 20 0 DCADHO CCCN1CCC(N(C2CC[NH2+]CC2)S(C)(=O)=O)CC1 ZINC001258771428 946861984 /nfs/dbraw/zinc/86/19/84/946861984.db2.gz BFDSWTUNZHDPBW-UHFFFAOYSA-N 1 3 303.472 0.874 20 0 DCADHO CC[C@H](N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C)C(N)=O ZINC001410978764 947188279 /nfs/dbraw/zinc/18/82/79/947188279.db2.gz IMZAKDPFJPGYBJ-STQMWFEESA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCC2(CC2)C1 ZINC001261320876 947243661 /nfs/dbraw/zinc/24/36/61/947243661.db2.gz NFTCNYREOIYPSJ-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001246199742 947682626 /nfs/dbraw/zinc/68/26/26/947682626.db2.gz ZZLLDGFETSQZHY-QWHCGFSZSA-N 1 3 320.455 0.332 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534908 947857563 /nfs/dbraw/zinc/85/75/63/947857563.db2.gz XQQRXWOWJRKTFJ-RDBSUJKOSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)[C@@H]1C)N(C)C ZINC001179554206 947870163 /nfs/dbraw/zinc/87/01/63/947870163.db2.gz UYQMOWYNAPOQJN-JURCDPSOSA-N 1 3 324.469 0.573 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186817066 947943305 /nfs/dbraw/zinc/94/33/05/947943305.db2.gz JSDQELSWVZCTOF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186817066 947943311 /nfs/dbraw/zinc/94/33/11/947943311.db2.gz JSDQELSWVZCTOF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC[NH2+]CCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001273546639 947952743 /nfs/dbraw/zinc/95/27/43/947952743.db2.gz QATOHMKYORXWNX-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001273588328 947970143 /nfs/dbraw/zinc/97/01/43/947970143.db2.gz HABMUDVRIJIBMN-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCO1 ZINC001327049558 948380604 /nfs/dbraw/zinc/38/06/04/948380604.db2.gz SHAANYINWJMJBN-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@H](O)CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001273920406 948679541 /nfs/dbraw/zinc/67/95/41/948679541.db2.gz SKLLLXWQOIGZSN-BBRMVZONSA-N 1 3 324.425 0.056 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@](CO)([NH2+]CCCF)C1)N(C)C ZINC001273928774 948686186 /nfs/dbraw/zinc/68/61/86/948686186.db2.gz DSUKWEKBGQZHQB-ZBFHGGJFSA-N 1 3 317.449 0.875 20 0 DCADHO CCc1nc([C@@H](C)N[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001488769708 949166165 /nfs/dbraw/zinc/16/61/65/949166165.db2.gz AYVSPIIVVKFAFA-UPJWGTAASA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001265059734 949260597 /nfs/dbraw/zinc/26/05/97/949260597.db2.gz HTHUMVHAYIRCBP-OAHLLOKOSA-N 1 3 322.453 0.664 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001265059734 949260618 /nfs/dbraw/zinc/26/06/18/949260618.db2.gz HTHUMVHAYIRCBP-OAHLLOKOSA-N 1 3 322.453 0.664 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC1CC1 ZINC001265146144 949376588 /nfs/dbraw/zinc/37/65/88/949376588.db2.gz NZQXVQIRUTYHMQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC1CC1 ZINC001265146144 949376604 /nfs/dbraw/zinc/37/66/04/949376604.db2.gz NZQXVQIRUTYHMQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCO)[C@H]2C1(C)C ZINC001489083435 949480860 /nfs/dbraw/zinc/48/08/60/949480860.db2.gz ALBNRGKYPSPEPT-NUEKZKHPSA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCO)[C@H]2C1(C)C ZINC001489083435 949480871 /nfs/dbraw/zinc/48/08/71/949480871.db2.gz ALBNRGKYPSPEPT-NUEKZKHPSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001265873238 950070807 /nfs/dbraw/zinc/07/08/07/950070807.db2.gz PXEAWTNKFRPQLS-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001265878419 950075338 /nfs/dbraw/zinc/07/53/38/950075338.db2.gz BTADWTHMENEPHS-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(C(=O)N1CCO[C@H](CNCCF)C1)[NH+]1CCCC1 ZINC001280620063 950992715 /nfs/dbraw/zinc/99/27/15/950992715.db2.gz JWJSLRYOXYMWJC-CYBMUJFWSA-N 1 3 301.406 0.647 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001280678559 951032331 /nfs/dbraw/zinc/03/23/31/951032331.db2.gz ALDKFRDBOBZLSZ-ZFDPJTLLSA-N 1 3 303.834 0.896 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC001490725813 951038403 /nfs/dbraw/zinc/03/84/03/951038403.db2.gz ANJILVJUCDITQZ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC001490725813 951038413 /nfs/dbraw/zinc/03/84/13/951038413.db2.gz ANJILVJUCDITQZ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCOCC(F)F)CCN1C(=O)Cc1c[nH]cn1 ZINC001331919233 951389499 /nfs/dbraw/zinc/38/94/99/951389499.db2.gz OVDIVNGHSGDNBH-CMPLNLGQSA-N 1 3 316.352 0.813 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCOCC1CC1 ZINC001274262090 951522905 /nfs/dbraw/zinc/52/29/05/951522905.db2.gz XWHYDFLHDAHYDK-WFASDCNBSA-N 1 3 306.410 0.815 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001365867592 951631130 /nfs/dbraw/zinc/63/11/30/951631130.db2.gz BNLABBWWUDQGOK-OAHLLOKOSA-N 1 3 323.441 0.883 20 0 DCADHO COCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001274501343 951668094 /nfs/dbraw/zinc/66/80/94/951668094.db2.gz JAURQBGDWBWZOQ-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001274752886 951825143 /nfs/dbraw/zinc/82/51/43/951825143.db2.gz KPGOTJRSFHBTJV-ZIAGYGMSSA-N 1 3 308.430 0.245 20 0 DCADHO CCOC(=O)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001274935003 951901810 /nfs/dbraw/zinc/90/18/10/951901810.db2.gz KOWAMBXXEDVUGM-CHWSQXEVSA-N 1 3 309.410 0.082 20 0 DCADHO CCOC(=O)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001274935003 951901812 /nfs/dbraw/zinc/90/18/12/951901812.db2.gz KOWAMBXXEDVUGM-CHWSQXEVSA-N 1 3 309.410 0.082 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001444727661 952329299 /nfs/dbraw/zinc/32/92/99/952329299.db2.gz ZOFBDLNDNGDFSB-ZDUSSCGKSA-N 1 3 300.447 0.288 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1nccnc1N)C2 ZINC001275894038 952509861 /nfs/dbraw/zinc/50/98/61/952509861.db2.gz DOHYNAJONHKMGE-KRWDZBQOSA-N 1 3 318.469 0.908 20 0 DCADHO CN(CCC[NH2+]CC(=O)Nc1ccon1)C(=O)[C@@H]1CCCN1C ZINC001275916044 952520189 /nfs/dbraw/zinc/52/01/89/952520189.db2.gz UBRCZZNVYZZOSZ-LBPRGKRZSA-N 1 3 323.397 0.145 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336422275 952695823 /nfs/dbraw/zinc/69/58/23/952695823.db2.gz QLPZRXDPEPPZHW-KKUMJFAQSA-N 1 3 324.469 0.195 20 0 DCADHO CN(C)c1ccc(NC(=O)CCNC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001336803399 952768737 /nfs/dbraw/zinc/76/87/37/952768737.db2.gz HTFHGPFHGOEXQT-QGZVFWFLSA-N 1 3 320.437 0.737 20 0 DCADHO CN(C)c1ccc(NC(=O)CCNC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001336803399 952768742 /nfs/dbraw/zinc/76/87/42/952768742.db2.gz HTFHGPFHGOEXQT-QGZVFWFLSA-N 1 3 320.437 0.737 20 0 DCADHO [NH3+]CCN1CCC[C@@H](C(=O)Nc2cccc3c2CNC3)C1=O ZINC001340882919 953201041 /nfs/dbraw/zinc/20/10/41/953201041.db2.gz XGFFXIHDVYJEJF-LBPRGKRZSA-N 1 3 302.378 0.426 20 0 DCADHO CN1CCN(C)CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC001341395764 953227885 /nfs/dbraw/zinc/22/78/85/953227885.db2.gz ZBGJISISVUPPFW-QGZVFWFLSA-N 1 3 316.449 0.927 20 0 DCADHO C[NH+](C)CCCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001341631165 953242320 /nfs/dbraw/zinc/24/23/20/953242320.db2.gz JGLVSWRNSQXUBT-CYBMUJFWSA-N 1 3 304.394 0.580 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001341822001 953252584 /nfs/dbraw/zinc/25/25/84/953252584.db2.gz BWQBHMZAUNGWSB-YOEHRIQHSA-N 1 3 323.437 0.377 20 0 DCADHO CCCNC(=O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366054435 953627524 /nfs/dbraw/zinc/62/75/24/953627524.db2.gz AIWKQINFBFUHHZ-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366090532 953669518 /nfs/dbraw/zinc/66/95/18/953669518.db2.gz DRPBTHWEUZTCNS-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001366194487 953805155 /nfs/dbraw/zinc/80/51/55/953805155.db2.gz VBJDOQSBIYPSHF-RRFJBIMHSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366208216 953823688 /nfs/dbraw/zinc/82/36/88/953823688.db2.gz VBJDOQSBIYPSHF-ILXRZTDVSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001366224540 953854080 /nfs/dbraw/zinc/85/40/80/953854080.db2.gz FAHIYZTTWAGUIV-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001366407681 954161802 /nfs/dbraw/zinc/16/18/02/954161802.db2.gz JOIPNKWJWXJZPY-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCn1cncn1 ZINC001366515373 954311969 /nfs/dbraw/zinc/31/19/69/954311969.db2.gz XTDZQEFDZYAQFX-LSDHHAIUSA-N 1 3 322.457 0.637 20 0 DCADHO CC[C@H](C(=O)NCC[N@H+](C)C[C@H](O)CC(F)(F)F)N(C)C ZINC001366542500 954387583 /nfs/dbraw/zinc/38/75/83/954387583.db2.gz VTTHQTXFFCMWKL-GHMZBOCLSA-N 1 3 313.364 0.688 20 0 DCADHO CC[C@H](C(=O)NCC[N@@H+](C)C[C@H](O)CC(F)(F)F)N(C)C ZINC001366542500 954387585 /nfs/dbraw/zinc/38/75/85/954387585.db2.gz VTTHQTXFFCMWKL-GHMZBOCLSA-N 1 3 313.364 0.688 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccn(C)c(=O)c1 ZINC001366587997 954469368 /nfs/dbraw/zinc/46/93/68/954469368.db2.gz YSWLOWHWCKZMFC-UHFFFAOYSA-N 1 3 318.421 0.029 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283713498 954551113 /nfs/dbraw/zinc/55/11/13/954551113.db2.gz IMYMEEFEVFWWIQ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283713498 954551121 /nfs/dbraw/zinc/55/11/21/954551121.db2.gz IMYMEEFEVFWWIQ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CCNC2=O)CC1 ZINC001366783200 954841688 /nfs/dbraw/zinc/84/16/88/954841688.db2.gz OAFOBRDSRZEMHR-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H](C)C(=O)NC)C1 ZINC001366843741 954922435 /nfs/dbraw/zinc/92/24/35/954922435.db2.gz IXDZVDSBIZDPNI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@@H](C)C(=O)NC)C1 ZINC001366843741 954922444 /nfs/dbraw/zinc/92/24/44/954922444.db2.gz IXDZVDSBIZDPNI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366882424 954991120 /nfs/dbraw/zinc/99/11/20/954991120.db2.gz CHEOPQRGFUTLGD-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366882424 954991132 /nfs/dbraw/zinc/99/11/32/954991132.db2.gz CHEOPQRGFUTLGD-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)C1(N(C)C)CCC1 ZINC001350174883 955010100 /nfs/dbraw/zinc/01/01/00/955010100.db2.gz TZFMCYWDCSWMJM-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)C1(N(C)C)CCC1 ZINC001350174883 955010110 /nfs/dbraw/zinc/01/01/10/955010110.db2.gz TZFMCYWDCSWMJM-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC001367093610 955306257 /nfs/dbraw/zinc/30/62/57/955306257.db2.gz KWZQPTYDVCQEAB-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001284994371 955398636 /nfs/dbraw/zinc/39/86/36/955398636.db2.gz GDEUJFWLFMTJQV-HNNXBMFYSA-N 1 3 313.442 0.082 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC=C(CNC(=O)CN(C)C(C)C)CC1 ZINC001284994371 955398649 /nfs/dbraw/zinc/39/86/49/955398649.db2.gz GDEUJFWLFMTJQV-HNNXBMFYSA-N 1 3 313.442 0.082 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC)C1 ZINC001367221357 955474974 /nfs/dbraw/zinc/47/49/74/955474974.db2.gz HILHVAKVORKVMN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC)C1 ZINC001367221357 955474985 /nfs/dbraw/zinc/47/49/85/955474985.db2.gz HILHVAKVORKVMN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480120730 955526921 /nfs/dbraw/zinc/52/69/21/955526921.db2.gz SKUDNXXALUFBNT-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CC(N)=O ZINC001367273474 955569747 /nfs/dbraw/zinc/56/97/47/955569747.db2.gz RXZYVPIFPAIUJV-ABAIWWIYSA-N 1 3 316.421 0.026 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cnn(C)c1 ZINC001367274630 955573190 /nfs/dbraw/zinc/57/31/90/955573190.db2.gz WKWYLMXLQQFMRH-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001367288214 955593886 /nfs/dbraw/zinc/59/38/86/955593886.db2.gz KEVCFRCSUDJOEN-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001355214143 956617234 /nfs/dbraw/zinc/61/72/34/956617234.db2.gz HRQQOLUOZQPQQO-JKSUJKDBSA-N 1 3 324.469 0.713 20 0 DCADHO CC(C)N(C)CC(=O)N1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001288433431 956645730 /nfs/dbraw/zinc/64/57/30/956645730.db2.gz DALUKFNIVLUPGK-UHFFFAOYSA-N 1 3 324.469 0.553 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001292856535 957177841 /nfs/dbraw/zinc/17/78/41/957177841.db2.gz GQUHAQNLMVYTJF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001292998592 957227997 /nfs/dbraw/zinc/22/79/97/957227997.db2.gz KFIIMBSGFWYSBF-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001292998592 957228004 /nfs/dbraw/zinc/22/80/04/957228004.db2.gz KFIIMBSGFWYSBF-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)CC(N)=O ZINC001367447893 957815098 /nfs/dbraw/zinc/81/50/98/957815098.db2.gz ISDTZWJFLGXING-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CN(CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)CC(N)=O ZINC001367447893 957815108 /nfs/dbraw/zinc/81/51/08/957815108.db2.gz ISDTZWJFLGXING-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCCC1)N(C)C ZINC001367449269 957820323 /nfs/dbraw/zinc/82/03/23/957820323.db2.gz ZABVNQNLLJKBEW-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCN(C)C1=O)C(C)C ZINC001367495425 957895433 /nfs/dbraw/zinc/89/54/33/957895433.db2.gz SZQAJMZSNCCRJS-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)C[C@H]1CCc2ncnn21)N(C)C ZINC001367546946 958007773 /nfs/dbraw/zinc/00/77/73/958007773.db2.gz VWLVBLJBGBVPGK-KGLIPLIRSA-N 1 3 322.457 0.496 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)C[C@H]1CCc2ncnn21)N(C)C ZINC001367546946 958007789 /nfs/dbraw/zinc/00/77/89/958007789.db2.gz VWLVBLJBGBVPGK-KGLIPLIRSA-N 1 3 322.457 0.496 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cn(C)nn1 ZINC001367574557 958087419 /nfs/dbraw/zinc/08/74/19/958087419.db2.gz HNDUPEZAFZLOGK-UKRRQHHQSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cn(C)nn1 ZINC001367574557 958087432 /nfs/dbraw/zinc/08/74/32/958087432.db2.gz HNDUPEZAFZLOGK-UKRRQHHQSA-N 1 3 322.457 0.531 20 0 DCADHO CCOc1ccc(C(=O)N[C@H](C)C[NH2+][C@@H]2CCN(C)C2=O)cn1 ZINC001367673418 958331901 /nfs/dbraw/zinc/33/19/01/958331901.db2.gz BZYIPGUWUSPUNE-DGCLKSJQSA-N 1 3 320.393 0.419 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001362071656 958690524 /nfs/dbraw/zinc/69/05/24/958690524.db2.gz HFLRAOGUPOGOBH-CVEARBPZSA-N 1 3 312.502 0.964 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001548923733 1013183268 /nfs/dbraw/zinc/18/32/68/1013183268.db2.gz ZOFJKSYTLDKVLE-DZKIICNBSA-N 1 3 300.406 0.734 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001367914824 958853160 /nfs/dbraw/zinc/85/31/60/958853160.db2.gz XAIWZVKGKMLAKE-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001491632259 958977797 /nfs/dbraw/zinc/97/77/97/958977797.db2.gz RMPJOVXNRIIHAR-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001491632259 958977810 /nfs/dbraw/zinc/97/78/10/958977810.db2.gz RMPJOVXNRIIHAR-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCc2cccnc2)C1 ZINC001376854744 958988244 /nfs/dbraw/zinc/98/82/44/958988244.db2.gz XGDUQGPFNMLBSV-MRXNPFEDSA-N 1 3 320.437 0.740 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCc2cccnc2)C1 ZINC001376854744 958988252 /nfs/dbraw/zinc/98/82/52/958988252.db2.gz XGDUQGPFNMLBSV-MRXNPFEDSA-N 1 3 320.437 0.740 20 0 DCADHO C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@H]1CCCNC1=O ZINC001491694548 959064104 /nfs/dbraw/zinc/06/41/04/959064104.db2.gz ZPLPROUBADPTIZ-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001376915172 959129213 /nfs/dbraw/zinc/12/92/13/959129213.db2.gz RDKONBBNYYKEEE-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376916483 959132897 /nfs/dbraw/zinc/13/28/97/959132897.db2.gz YYDPFOUOWPIVOI-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001491814902 959256882 /nfs/dbraw/zinc/25/68/82/959256882.db2.gz VHSMZDHNSQVHFE-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001368139274 959309520 /nfs/dbraw/zinc/30/95/20/959309520.db2.gz MEVGKNUWNVURBU-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001368139274 959309536 /nfs/dbraw/zinc/30/95/36/959309536.db2.gz MEVGKNUWNVURBU-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001368139274 959309550 /nfs/dbraw/zinc/30/95/50/959309550.db2.gz MEVGKNUWNVURBU-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2cnns2)C1 ZINC001368175425 959408199 /nfs/dbraw/zinc/40/81/99/959408199.db2.gz WAJWMIOREVAXKQ-UKRRQHHQSA-N 1 3 323.466 0.961 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001377068357 959423161 /nfs/dbraw/zinc/42/31/61/959423161.db2.gz QXCNMCHEWISDEV-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001492034581 959571353 /nfs/dbraw/zinc/57/13/53/959571353.db2.gz KNMBVTRYRGWWGY-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001368351826 959713919 /nfs/dbraw/zinc/71/39/19/959713919.db2.gz NECJQBPIZPMROP-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001368421136 959837042 /nfs/dbraw/zinc/83/70/42/959837042.db2.gz WXTQXYQKWSHDGD-HDJSIYSDSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001368450205 959882723 /nfs/dbraw/zinc/88/27/23/959882723.db2.gz KPGPCGWLKDGHEX-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001368450205 959882735 /nfs/dbraw/zinc/88/27/35/959882735.db2.gz KPGPCGWLKDGHEX-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[N@@H+]1CCN(CCNC(=O)CCN2CC[C@@H](F)C2)CC1(C)C ZINC001362724310 959894147 /nfs/dbraw/zinc/89/41/47/959894147.db2.gz QTYHVTDSKNOALS-CQSZACIVSA-N 1 3 314.449 0.563 20 0 DCADHO C[N@H+]1CCN(CCNC(=O)CCN2CC[C@@H](F)C2)CC1(C)C ZINC001362724310 959894164 /nfs/dbraw/zinc/89/41/64/959894164.db2.gz QTYHVTDSKNOALS-CQSZACIVSA-N 1 3 314.449 0.563 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001368486935 959932943 /nfs/dbraw/zinc/93/29/43/959932943.db2.gz MRLPDSHOFMNAPS-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)CCc1ccnn1C ZINC001377336448 959940776 /nfs/dbraw/zinc/94/07/76/959940776.db2.gz HDHDMTMDVPGAGZ-UHFFFAOYSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCC(=O)N(C)C ZINC001368662935 960135534 /nfs/dbraw/zinc/13/55/34/960135534.db2.gz CIVJBOLJTZHJBB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CO[C@@H](C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368688498 960160943 /nfs/dbraw/zinc/16/09/43/960160943.db2.gz VQXCOAYMECDZSQ-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO CCn1cc(CCN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cn1 ZINC001368783483 960265426 /nfs/dbraw/zinc/26/54/26/960265426.db2.gz CVUIMDYYYBAHJJ-ZBFHGGJFSA-N 1 3 321.469 0.976 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCN(C(C)C)C1=O)N(C)C ZINC001377587666 960323767 /nfs/dbraw/zinc/32/37/67/960323767.db2.gz DZJATRNIQQZMTF-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001377615751 960354693 /nfs/dbraw/zinc/35/46/93/960354693.db2.gz LXFNKRMUKKNECT-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO C[NH+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)N2CCCC2)C1 ZINC001377704218 960469447 /nfs/dbraw/zinc/46/94/47/960469447.db2.gz CQIFNMPIMUJSPP-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001377730447 960518705 /nfs/dbraw/zinc/51/87/05/960518705.db2.gz ZSKSWWKZXHZXDR-YIZWMMSDSA-N 1 3 308.430 0.140 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C2CCC2)C1=O ZINC001378304203 960538773 /nfs/dbraw/zinc/53/87/73/960538773.db2.gz QFSWNKJDPRDRMJ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)NCC(N)=O ZINC001378339255 960616697 /nfs/dbraw/zinc/61/66/97/960616697.db2.gz LHMVPJMWDXNQIJ-UKRRQHHQSA-N 1 3 312.458 0.467 20 0 DCADHO CN(CCCN(C)CC(=O)NCC(C)(C)C)CC[NH+](C)C ZINC001363247933 960694995 /nfs/dbraw/zinc/69/49/95/960694995.db2.gz JSDSQWCBGOYPKL-UHFFFAOYSA-N 1 3 300.491 0.964 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)n(C)n1)N(C)C ZINC001378610156 961121531 /nfs/dbraw/zinc/12/15/31/961121531.db2.gz UHKWTTZEIQWACZ-DOMZBBRYSA-N 1 3 309.458 0.911 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)nc1)N(C)C ZINC001378614430 961128554 /nfs/dbraw/zinc/12/85/54/961128554.db2.gz MUDKFHSDGQGTKU-IUODEOHRSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)CC1CC[NH+](C)CC1 ZINC001378624793 961152403 /nfs/dbraw/zinc/15/24/03/961152403.db2.gz RUFOSJUKVOFXJB-CQSZACIVSA-N 1 3 321.469 0.994 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CC[C@H]3CC[NH2+]C3)C2)nn1 ZINC001549047649 1013249156 /nfs/dbraw/zinc/24/91/56/1013249156.db2.gz VSLFWWVBIPXSSI-GXTWGEPZSA-N 1 3 306.414 0.290 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001447104781 1013257308 /nfs/dbraw/zinc/25/73/08/1013257308.db2.gz OFWAOKQJEQOISI-IHRRRGAJSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378793668 961488278 /nfs/dbraw/zinc/48/82/78/961488278.db2.gz TZSZUIPKXPAJBE-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CCc1nc([C@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001378806639 961519127 /nfs/dbraw/zinc/51/91/27/961519127.db2.gz FODKYRICCJJDMO-NEPJUHHUSA-N 1 3 310.446 0.816 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001378917506 961705000 /nfs/dbraw/zinc/70/50/00/961705000.db2.gz SFQSEUFEPSHLJQ-JSGCOSHPSA-N 1 3 321.425 0.448 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001378931560 961723708 /nfs/dbraw/zinc/72/37/08/961723708.db2.gz ZMNFUUBAHWMYNG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001378935614 961729085 /nfs/dbraw/zinc/72/90/85/961729085.db2.gz UXOZHVOTBHAFEJ-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001378935614 961729097 /nfs/dbraw/zinc/72/90/97/961729097.db2.gz UXOZHVOTBHAFEJ-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001378999757 961835538 /nfs/dbraw/zinc/83/55/38/961835538.db2.gz NQBOKSKMFYWTQJ-GXTWGEPZSA-N 1 3 300.447 0.049 20 0 DCADHO CC[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001379778687 962012853 /nfs/dbraw/zinc/01/28/53/962012853.db2.gz VSVHUZYBMMRUPN-BBRMVZONSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC2CC2)CC[N@@H+]1C ZINC001379130085 962163235 /nfs/dbraw/zinc/16/32/35/962163235.db2.gz JROCCPHSFUQUGI-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC2CC2)CC[N@H+]1C ZINC001379130085 962163243 /nfs/dbraw/zinc/16/32/43/962163243.db2.gz JROCCPHSFUQUGI-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001379237832 962433239 /nfs/dbraw/zinc/43/32/39/962433239.db2.gz CLZQXKQMZQYJMN-CJNGLKHVSA-N 1 3 315.433 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001379329098 962635599 /nfs/dbraw/zinc/63/55/99/962635599.db2.gz NENXMQRHOHAKSO-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001379414753 962875083 /nfs/dbraw/zinc/87/50/83/962875083.db2.gz GWRQDGVVYJIZIC-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001379417729 962877518 /nfs/dbraw/zinc/87/75/18/962877518.db2.gz VZLSMLPZVZJAIR-MDZLAQPJSA-N 1 3 308.430 0.438 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001379417729 962877527 /nfs/dbraw/zinc/87/75/27/962877527.db2.gz VZLSMLPZVZJAIR-MDZLAQPJSA-N 1 3 308.430 0.438 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379520097 963118601 /nfs/dbraw/zinc/11/86/01/963118601.db2.gz RCVNOZLDPUXVRX-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001379520097 963118612 /nfs/dbraw/zinc/11/86/12/963118612.db2.gz RCVNOZLDPUXVRX-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001379551910 963170931 /nfs/dbraw/zinc/17/09/31/963170931.db2.gz QEXSQKJNXKRVCE-GXTWGEPZSA-N 1 3 314.474 0.582 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@](C)(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001380427904 963189363 /nfs/dbraw/zinc/18/93/63/963189363.db2.gz ZAOHVHOCIPSNGJ-RHSMWYFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001379581958 963214868 /nfs/dbraw/zinc/21/48/68/963214868.db2.gz HXFXHYAZCGFMED-KGLIPLIRSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCCC1 ZINC001379600766 963248326 /nfs/dbraw/zinc/24/83/26/963248326.db2.gz YOFIEJPPKKHNAC-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001416922621 963362957 /nfs/dbraw/zinc/36/29/57/963362957.db2.gz SQSPWCYYDVLHMB-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)CN1CCCC1 ZINC001380833659 963619345 /nfs/dbraw/zinc/61/93/45/963619345.db2.gz PPSKMGARRJOLBZ-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@H](C)COC)C1 ZINC001380913556 963677356 /nfs/dbraw/zinc/67/73/56/963677356.db2.gz PPKVPWNMTTWOOV-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001381128196 963833373 /nfs/dbraw/zinc/83/33/73/963833373.db2.gz PVFZQMBTMGXSFB-UHFFFAOYSA-N 1 3 307.398 0.059 20 0 DCADHO COC[C@H](C)[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001381168157 963862044 /nfs/dbraw/zinc/86/20/44/963862044.db2.gz MESKLPCADOTOGH-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1ncc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cn1 ZINC001447543294 1013464919 /nfs/dbraw/zinc/46/49/19/1013464919.db2.gz OIZCCJLSDKNKJK-DOMZBBRYSA-N 1 3 305.426 0.673 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN1C ZINC001430461470 1013495913 /nfs/dbraw/zinc/49/59/13/1013495913.db2.gz CIKIBHJCZNTACP-SOUVJXGZSA-N 1 3 322.453 0.234 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN1C ZINC001430461470 1013495917 /nfs/dbraw/zinc/49/59/17/1013495917.db2.gz CIKIBHJCZNTACP-SOUVJXGZSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2cnn(C)c2)CC1)N(C)C ZINC001375522727 964510160 /nfs/dbraw/zinc/51/01/60/964510160.db2.gz SHHQYESVLTZWFX-AWEZNQCLSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001375545871 964535884 /nfs/dbraw/zinc/53/58/84/964535884.db2.gz WRWOETGWXFTYQP-IIAWOOMASA-N 1 3 319.453 0.746 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)NCc1cnnn1C ZINC001373759789 964584222 /nfs/dbraw/zinc/58/42/22/964584222.db2.gz LXHFANDJROIPAR-UKRRQHHQSA-N 1 3 322.457 0.674 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)NCc1cnnn1C ZINC001373759789 964584227 /nfs/dbraw/zinc/58/42/27/964584227.db2.gz LXHFANDJROIPAR-UKRRQHHQSA-N 1 3 322.457 0.674 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)C)N(C)C ZINC001369258678 964612808 /nfs/dbraw/zinc/61/28/08/964612808.db2.gz GPKYXVYYIRZAEI-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001369300948 964682009 /nfs/dbraw/zinc/68/20/09/964682009.db2.gz ZOXVDZLPTQKHLJ-ZFWWWQNUSA-N 1 3 314.474 0.534 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F)CCC1 ZINC001369327611 964753689 /nfs/dbraw/zinc/75/36/89/964753689.db2.gz WPXGBTVIQRDRSF-JTQLQIEISA-N 1 3 311.348 0.490 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C[C@@H]1C ZINC001375735691 964774862 /nfs/dbraw/zinc/77/48/62/964774862.db2.gz FHJQOHFHPRJEMY-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1)[NH+](C)C ZINC001373963099 964825492 /nfs/dbraw/zinc/82/54/92/964825492.db2.gz GKEFDKAVYMZWQS-ZBFHGGJFSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001373964462 964825812 /nfs/dbraw/zinc/82/58/12/964825812.db2.gz UDUBWXPEKPBHMO-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001373964832 964826902 /nfs/dbraw/zinc/82/69/02/964826902.db2.gz GLJUNFKCDACWBS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001369398538 964897541 /nfs/dbraw/zinc/89/75/41/964897541.db2.gz GKRCAXKIIMLOAL-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375876303 964952473 /nfs/dbraw/zinc/95/24/73/964952473.db2.gz XZBHLBVVSCHZQU-CJNGLKHVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccsc1)N(C)C ZINC001369468368 965032122 /nfs/dbraw/zinc/03/21/22/965032122.db2.gz FKUWIDJQXVNIDQ-ZIAGYGMSSA-N 1 3 313.467 0.997 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)CC[C@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369512289 965120185 /nfs/dbraw/zinc/12/01/85/965120185.db2.gz ALLFGUXBQZQFSE-DZGCQCFKSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)CC[C@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001369512289 965120187 /nfs/dbraw/zinc/12/01/87/965120187.db2.gz ALLFGUXBQZQFSE-DZGCQCFKSA-N 1 3 324.425 0.130 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001374225963 965158368 /nfs/dbraw/zinc/15/83/68/965158368.db2.gz OVVCEBPTYYHKHS-RISCZKNCSA-N 1 3 320.441 0.391 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CC(NCc2cnnn2C)C1)[NH+](C)C ZINC001369579202 965190502 /nfs/dbraw/zinc/19/05/02/965190502.db2.gz SALHDWIYMORPEN-PIMMBPRGSA-N 1 3 322.457 0.480 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001374310134 965260840 /nfs/dbraw/zinc/26/08/40/965260840.db2.gz CTERSXKUIBUTFM-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(=O)NC1CC1 ZINC001374395117 965338141 /nfs/dbraw/zinc/33/81/41/965338141.db2.gz JHFLCWQNBZDTDU-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCC(=O)NC ZINC001374396044 965338467 /nfs/dbraw/zinc/33/84/67/965338467.db2.gz MBRUJJWBDZNEBW-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCC(=O)NC ZINC001374396044 965338474 /nfs/dbraw/zinc/33/84/74/965338474.db2.gz MBRUJJWBDZNEBW-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1)NC1CC1 ZINC001376604848 965882739 /nfs/dbraw/zinc/88/27/39/965882739.db2.gz AHECJNXWQGQFPS-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001374771530 965896598 /nfs/dbraw/zinc/89/65/98/965896598.db2.gz MJFHZWDIAKOZKT-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CCn1cccn1)C1CC1 ZINC001370268717 965940903 /nfs/dbraw/zinc/94/09/03/965940903.db2.gz YWGXMSNZAMUQIL-HNNXBMFYSA-N 1 3 316.409 0.642 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376675850 965966815 /nfs/dbraw/zinc/96/68/15/965966815.db2.gz LOSOWLDDDCURRH-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376675850 965966824 /nfs/dbraw/zinc/96/68/24/965966824.db2.gz LOSOWLDDDCURRH-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCCNC1=O ZINC001376744091 966106054 /nfs/dbraw/zinc/10/60/54/966106054.db2.gz CYCXSTTVTNRSTC-KBPBESRZSA-N 1 3 322.453 0.235 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001370672182 966359848 /nfs/dbraw/zinc/35/98/48/966359848.db2.gz ZXPGLFGIIURRSB-TXEJJXNPSA-N 1 3 311.455 0.925 20 0 DCADHO CCn1nnc(C)c1CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381424064 966402162 /nfs/dbraw/zinc/40/21/62/966402162.db2.gz UOAPGPCHUDJBAH-RYUDHWBXSA-N 1 3 310.446 0.541 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001370838565 966529768 /nfs/dbraw/zinc/52/97/68/966529768.db2.gz YHHFFGWAPGQIGC-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](NCc1cnn(C)c1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447937948 1013659495 /nfs/dbraw/zinc/65/94/95/1013659495.db2.gz VGKDIMMMHQOLFL-OLZOCXBDSA-N 1 3 305.426 0.499 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCCC1 ZINC001381729613 966652100 /nfs/dbraw/zinc/65/21/00/966652100.db2.gz VRMJULKRVDGXCE-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)C(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001447968063 1013674989 /nfs/dbraw/zinc/67/49/89/1013674989.db2.gz DAPSHKGVVHBXMP-UHFFFAOYSA-N 1 3 309.414 0.115 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCO)C[C@H]2C1 ZINC001381924156 966783855 /nfs/dbraw/zinc/78/38/55/966783855.db2.gz GAWSQDPJLILGSN-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCO)C[C@H]2C1 ZINC001381924156 966783857 /nfs/dbraw/zinc/78/38/57/966783857.db2.gz GAWSQDPJLILGSN-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001381964218 966822579 /nfs/dbraw/zinc/82/25/79/966822579.db2.gz WYWGOXZAPWXYPY-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001382017153 966868454 /nfs/dbraw/zinc/86/84/54/966868454.db2.gz IQBAJKQABCNBBB-WFASDCNBSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccn(C)n1 ZINC001382044557 966884375 /nfs/dbraw/zinc/88/43/75/966884375.db2.gz CZHKZMXOBKXGOX-GOEBONIOSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccn(C)n1 ZINC001382044557 966884381 /nfs/dbraw/zinc/88/43/81/966884381.db2.gz CZHKZMXOBKXGOX-GOEBONIOSA-N 1 3 321.469 0.992 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001371431102 966986214 /nfs/dbraw/zinc/98/62/14/966986214.db2.gz SQNLNVDCVJXTQU-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001371431102 966986219 /nfs/dbraw/zinc/98/62/19/966986219.db2.gz SQNLNVDCVJXTQU-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001371431657 966986475 /nfs/dbraw/zinc/98/64/75/966986475.db2.gz SQNLNVDCVJXTQU-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001371431657 966986483 /nfs/dbraw/zinc/98/64/83/966986483.db2.gz SQNLNVDCVJXTQU-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001371433742 966988454 /nfs/dbraw/zinc/98/84/54/966988454.db2.gz VQJBPAISVYAUDG-STQMWFEESA-N 1 3 308.430 0.202 20 0 DCADHO COc1cc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001382155665 966989021 /nfs/dbraw/zinc/98/90/21/966989021.db2.gz BIGDKIUYMUDNHJ-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001382155665 966989023 /nfs/dbraw/zinc/98/90/23/966989023.db2.gz BIGDKIUYMUDNHJ-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001382164251 966995281 /nfs/dbraw/zinc/99/52/81/966995281.db2.gz YLXKRAQKCZETTR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001447994150 1013692680 /nfs/dbraw/zinc/69/26/80/1013692680.db2.gz VQBABZRPCKOIHI-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001447994150 1013692686 /nfs/dbraw/zinc/69/26/86/1013692686.db2.gz VQBABZRPCKOIHI-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)N(C)C ZINC001371498180 967044640 /nfs/dbraw/zinc/04/46/40/967044640.db2.gz NYSRMAFKGFVQRL-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1)N(C)C ZINC001371514940 967065433 /nfs/dbraw/zinc/06/54/33/967065433.db2.gz PVIVOKXBOLXAKW-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001371575120 967136045 /nfs/dbraw/zinc/13/60/45/967136045.db2.gz YJLBIVXZPIWQMV-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cncc(C)c1)N(C)C ZINC001382404385 967332277 /nfs/dbraw/zinc/33/22/77/967332277.db2.gz VXQXGDNASSRSBF-JKSUJKDBSA-N 1 3 322.453 0.639 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)Nc1ccon1 ZINC001371871820 967409179 /nfs/dbraw/zinc/40/91/79/967409179.db2.gz BUNOBFGYHUNKRE-NEPJUHHUSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)Nc1ccon1 ZINC001371871820 967409184 /nfs/dbraw/zinc/40/91/84/967409184.db2.gz BUNOBFGYHUNKRE-NEPJUHHUSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)Nc1ccon1 ZINC001371871821 967409446 /nfs/dbraw/zinc/40/94/46/967409446.db2.gz BUNOBFGYHUNKRE-NWDGAFQWSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)Nc1ccon1 ZINC001371871821 967409450 /nfs/dbraw/zinc/40/94/50/967409450.db2.gz BUNOBFGYHUNKRE-NWDGAFQWSA-N 1 3 323.397 0.049 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001382581119 967516259 /nfs/dbraw/zinc/51/62/59/967516259.db2.gz ZSRWYKVZKOPUPH-PIMMBPRGSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCc1ccnn1C ZINC001448044103 1013735575 /nfs/dbraw/zinc/73/55/75/1013735575.db2.gz OCHSGHQIVYQWCO-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCc1ccnn1C ZINC001448044103 1013735583 /nfs/dbraw/zinc/73/55/83/1013735583.db2.gz OCHSGHQIVYQWCO-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448087474 1013744446 /nfs/dbraw/zinc/74/44/46/1013744446.db2.gz JPMYIIDIKHWIMT-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448087474 1013744450 /nfs/dbraw/zinc/74/44/50/1013744450.db2.gz JPMYIIDIKHWIMT-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)CCn1cc(Cl)cn1 ZINC001448093662 1013749732 /nfs/dbraw/zinc/74/97/32/1013749732.db2.gz ZAOWXRFGAPLZLU-LBPRGKRZSA-N 1 3 315.849 0.925 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001373330033 968946648 /nfs/dbraw/zinc/94/66/48/968946648.db2.gz LRIQFOWZFNATFL-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001373330033 968946659 /nfs/dbraw/zinc/94/66/59/968946659.db2.gz LRIQFOWZFNATFL-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001373579985 969255580 /nfs/dbraw/zinc/25/55/80/969255580.db2.gz SAQGOSUCRSQVCZ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001373579985 969255591 /nfs/dbraw/zinc/25/55/91/969255591.db2.gz SAQGOSUCRSQVCZ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](NCc1ccnn1C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001448471532 1013922786 /nfs/dbraw/zinc/92/27/86/1013922786.db2.gz UAFGAPSXIJKDFN-UKRRQHHQSA-N 1 3 323.441 0.077 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CCCN1C ZINC001431179396 1013934174 /nfs/dbraw/zinc/93/41/74/1013934174.db2.gz XYUOJOSQWVNXJD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CCCN1C ZINC001431179396 1013934176 /nfs/dbraw/zinc/93/41/76/1013934176.db2.gz XYUOJOSQWVNXJD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001448536583 1013945730 /nfs/dbraw/zinc/94/57/30/1013945730.db2.gz RNQHLRIDYODRIG-CQSZACIVSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H](CNCC(N)=O)C1CC1 ZINC001448590179 1013959860 /nfs/dbraw/zinc/95/98/60/1013959860.db2.gz DKGBQCAMOSZNJL-CYBMUJFWSA-N 1 3 310.442 0.173 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001448669955 1013990382 /nfs/dbraw/zinc/99/03/82/1013990382.db2.gz WTASZLMMWZLWDK-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001448678991 1013993989 /nfs/dbraw/zinc/99/39/89/1013993989.db2.gz LNPLDWZTGZMAKO-STQMWFEESA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001448716663 1014009474 /nfs/dbraw/zinc/00/94/74/1014009474.db2.gz CFOPUGHQJVUBJC-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001448948557 1014105228 /nfs/dbraw/zinc/10/52/28/1014105228.db2.gz UVENTBUDXRXOLW-HOTGVXAUSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001448948557 1014105231 /nfs/dbraw/zinc/10/52/31/1014105231.db2.gz UVENTBUDXRXOLW-HOTGVXAUSA-N 1 3 305.422 0.513 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001448976969 1014115307 /nfs/dbraw/zinc/11/53/07/1014115307.db2.gz HOAWNBGBSRSICO-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@@H]3CNCCO3)CC2)C1 ZINC001549049126 1014123398 /nfs/dbraw/zinc/12/33/98/1014123398.db2.gz HKYVYLHILNTSNR-RBSFLKMASA-N 1 3 311.426 0.110 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3CCC[C@H]3[NH3+])C2)nn1 ZINC001549124842 1014142038 /nfs/dbraw/zinc/14/20/38/1014142038.db2.gz WCXBARHQLCBSBS-MRVWCRGKSA-N 1 3 306.414 0.418 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1 ZINC001449096228 1014186466 /nfs/dbraw/zinc/18/64/66/1014186466.db2.gz ZTCWQCIFRGUNQP-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001449190336 1014284998 /nfs/dbraw/zinc/28/49/98/1014284998.db2.gz NXHGCGXTNBXGLA-UHFFFAOYSA-N 1 3 300.447 0.243 20 0 DCADHO CC(C)N(CCN(C)C[C@H](C)O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001449256817 1014358475 /nfs/dbraw/zinc/35/84/75/1014358475.db2.gz BFNUVGDMDLNDIZ-GOEBONIOSA-N 1 3 311.470 0.878 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCCO)C1 ZINC001449374060 1014443836 /nfs/dbraw/zinc/44/38/36/1014443836.db2.gz YXOPIDLXEGZVLM-MNOVXSKESA-N 1 3 311.348 0.299 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnn3c2CNCC3)C1 ZINC001549751953 1014445800 /nfs/dbraw/zinc/44/58/00/1014445800.db2.gz IMXNAFDCSZEPAK-BFYDXBDKSA-N 1 3 319.453 0.847 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001522922060 1014473029 /nfs/dbraw/zinc/47/30/29/1014473029.db2.gz LVKMNRAGYPOWAP-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001550030523 1014531538 /nfs/dbraw/zinc/53/15/38/1014531538.db2.gz WGSQRYKDAKQZIU-XHSDSOJGSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001550030523 1014531545 /nfs/dbraw/zinc/53/15/45/1014531545.db2.gz WGSQRYKDAKQZIU-XHSDSOJGSA-N 1 3 322.453 0.464 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3C3CC[NH2+]CC3)C2)nn1 ZINC001550096616 1014565472 /nfs/dbraw/zinc/56/54/72/1014565472.db2.gz NVFCGAQXLFTUGK-RBSFLKMASA-N 1 3 318.425 0.146 20 0 DCADHO O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001550112538 1014578446 /nfs/dbraw/zinc/57/84/46/1014578446.db2.gz FDKWQQNPWJAHPH-NTZNESFSSA-N 1 3 305.382 0.288 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001529783492 1014612731 /nfs/dbraw/zinc/61/27/31/1014612731.db2.gz VHUMKDJKCSROFN-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001529783492 1014612737 /nfs/dbraw/zinc/61/27/37/1014612737.db2.gz VHUMKDJKCSROFN-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001550736516 1014827831 /nfs/dbraw/zinc/82/78/31/1014827831.db2.gz ROPUCKVXPCJOJZ-IIAWOOMASA-N 1 3 318.421 0.631 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550755159 1014842917 /nfs/dbraw/zinc/84/29/17/1014842917.db2.gz NGOYNTNPVOCAJM-GJZGRUSLSA-N 1 3 324.469 0.929 20 0 DCADHO CO[C@@H]1C[C@H](C[NH3+])N(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001550758943 1014849472 /nfs/dbraw/zinc/84/94/72/1014849472.db2.gz XFJFMCKFUIRYSA-ARFHVFGLSA-N 1 3 318.421 0.459 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001551099139 1014965369 /nfs/dbraw/zinc/96/53/69/1014965369.db2.gz AOVQXSHBLYEWGX-PMPSAXMXSA-N 1 3 309.454 0.918 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001551099139 1014965378 /nfs/dbraw/zinc/96/53/78/1014965378.db2.gz AOVQXSHBLYEWGX-PMPSAXMXSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001524670795 1015037649 /nfs/dbraw/zinc/03/76/49/1015037649.db2.gz ZTOVIYQBSVQYOV-ILXRZTDVSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001524670795 1015037661 /nfs/dbraw/zinc/03/76/61/1015037661.db2.gz ZTOVIYQBSVQYOV-ILXRZTDVSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001383113771 984680436 /nfs/dbraw/zinc/68/04/36/984680436.db2.gz IPTKIQQULZWAHX-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC001551529523 1015128158 /nfs/dbraw/zinc/12/81/58/1015128158.db2.gz XVYYCRSKXFAEAF-CWRNSKLLSA-N 1 3 318.421 0.631 20 0 DCADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NC3CCC4(C[C@@H]4[NH3+])CC3)C[C@H]21 ZINC001551557317 1015136321 /nfs/dbraw/zinc/13/63/21/1015136321.db2.gz DPLHAAUNVYHONA-PLGFMNQBSA-N 1 3 322.453 0.353 20 0 DCADHO CC(C)[C@H](CNC(=O)NC1CC2(C[C@@H]2[NH3+])C1)N1CCN(C)CC1 ZINC001551599149 1015156113 /nfs/dbraw/zinc/15/61/13/1015156113.db2.gz MYUZLIFNHUHAPU-GWUWNPHMSA-N 1 3 323.485 0.437 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCC[C@@H]1C ZINC001384743339 985785809 /nfs/dbraw/zinc/78/58/09/985785809.db2.gz RCUKRLAWWFIDLZ-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001385154745 986128390 /nfs/dbraw/zinc/12/83/90/986128390.db2.gz FQBUCJAWVYHKRS-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385399815 986323587 /nfs/dbraw/zinc/32/35/87/986323587.db2.gz BXXZEONFCLLUQQ-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001385747363 986566493 /nfs/dbraw/zinc/56/64/93/986566493.db2.gz FIHOZWHDNKFTBW-GDBMZVCRSA-N 1 3 324.469 0.386 20 0 DCADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC001552186295 1015309446 /nfs/dbraw/zinc/30/94/46/1015309446.db2.gz ILNAZPSLHANWBD-AESZEHBQSA-N 1 3 322.453 0.620 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001450757815 1015341765 /nfs/dbraw/zinc/34/17/65/1015341765.db2.gz SYGYAYOYTXTKQL-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001388789266 988596110 /nfs/dbraw/zinc/59/61/10/988596110.db2.gz FBQSBQOKOHIBEH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)CCC[NH+](C)C ZINC001389259755 989041978 /nfs/dbraw/zinc/04/19/78/989041978.db2.gz NJNMCSUTBVODAU-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001389268159 989051743 /nfs/dbraw/zinc/05/17/43/989051743.db2.gz NPAPZMYTWROLJY-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001389268159 989051754 /nfs/dbraw/zinc/05/17/54/989051754.db2.gz NPAPZMYTWROLJY-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)cn1 ZINC001389639356 989453621 /nfs/dbraw/zinc/45/36/21/989453621.db2.gz CYWMTVBTQKIABH-HNNXBMFYSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)CCC[NH+](C)C ZINC001389659249 989470877 /nfs/dbraw/zinc/47/08/77/989470877.db2.gz GROXJYVBZOHJKA-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001389739244 989532897 /nfs/dbraw/zinc/53/28/97/989532897.db2.gz AMBSEMUYGFJPOG-OKILXGFUSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CCCCC2)C1 ZINC001389801108 989593473 /nfs/dbraw/zinc/59/34/73/989593473.db2.gz XLMQIQNCFOSABA-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001389811436 989602963 /nfs/dbraw/zinc/60/29/63/989602963.db2.gz BCLBKAOABXDFQI-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC001552690203 1015493081 /nfs/dbraw/zinc/49/30/81/1015493081.db2.gz ARTCQIVCWSSYJB-IPYPFGDCSA-N 1 3 320.441 0.935 20 0 DCADHO CN(C(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1)C1CCN(C)CC1 ZINC001552694926 1015494396 /nfs/dbraw/zinc/49/43/96/1015494396.db2.gz ZUSFZGSYEMYWDB-HIFRSBDPSA-N 1 3 320.441 0.887 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001390108799 989828641 /nfs/dbraw/zinc/82/86/41/989828641.db2.gz QYFZWOZLABCGQO-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001390255884 989942326 /nfs/dbraw/zinc/94/23/26/989942326.db2.gz SDCFZOSQHBGJOU-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCCC1 ZINC001390410404 990077575 /nfs/dbraw/zinc/07/75/75/990077575.db2.gz XYGNCRSSLXQYMY-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001390511374 990162375 /nfs/dbraw/zinc/16/23/75/990162375.db2.gz PNMJKSKKZZODMU-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001390511374 990162376 /nfs/dbraw/zinc/16/23/76/990162376.db2.gz PNMJKSKKZZODMU-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001390602542 990237083 /nfs/dbraw/zinc/23/70/83/990237083.db2.gz FMUMGFKRCUAEHH-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)CCc1ccnn1C ZINC001390781365 990381052 /nfs/dbraw/zinc/38/10/52/990381052.db2.gz JLCIDZBZQLLDCW-UHFFFAOYSA-N 1 3 319.453 0.639 20 0 DCADHO N[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[C@H]1F ZINC001552915757 1015563796 /nfs/dbraw/zinc/56/37/96/1015563796.db2.gz RNAPUAQNOOTHAZ-OLZOCXBDSA-N 1 3 307.373 0.003 20 0 DCADHO CCN1CCN(CCN(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001391342322 990761244 /nfs/dbraw/zinc/76/12/44/990761244.db2.gz WHUIBYNOHQPBRM-UHFFFAOYSA-N 1 3 310.486 0.958 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)CN[C@@H](C)c1cnccn1 ZINC001391950879 991321005 /nfs/dbraw/zinc/32/10/05/991321005.db2.gz PRRQHGFVCIXRHX-KGLIPLIRSA-N 1 3 317.437 0.975 20 0 DCADHO Cc1cnc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)cn1 ZINC001391960986 991333086 /nfs/dbraw/zinc/33/30/86/991333086.db2.gz DRAWXTAUGQQGNU-CYBMUJFWSA-N 1 3 307.442 0.967 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001391966090 991338299 /nfs/dbraw/zinc/33/82/99/991338299.db2.gz SWEPHFOPJXPICH-TZMCWYRMSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391966090 991338306 /nfs/dbraw/zinc/33/83/06/991338306.db2.gz SWEPHFOPJXPICH-TZMCWYRMSA-N 1 3 305.426 0.579 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001392023620 991405519 /nfs/dbraw/zinc/40/55/19/991405519.db2.gz NWAUMABRTDDQKX-OKILXGFUSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001392023618 991405761 /nfs/dbraw/zinc/40/57/61/991405761.db2.gz NWAUMABRTDDQKX-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001392062961 991452909 /nfs/dbraw/zinc/45/29/09/991452909.db2.gz PFTIIPXKCLZNHM-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001392062961 991452915 /nfs/dbraw/zinc/45/29/15/991452915.db2.gz PFTIIPXKCLZNHM-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392077338 991470535 /nfs/dbraw/zinc/47/05/35/991470535.db2.gz MTWNBISIDNSXOY-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001392123384 991520430 /nfs/dbraw/zinc/52/04/30/991520430.db2.gz MZRKQCCCBVMTKB-UONOGXRCSA-N 1 3 314.474 0.630 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)n[nH]1 ZINC001392125493 991520634 /nfs/dbraw/zinc/52/06/34/991520634.db2.gz UPGLCAMQRUSCGY-NWDGAFQWSA-N 1 3 310.446 0.952 20 0 DCADHO C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1CNCC(N)=O ZINC001392195032 991596071 /nfs/dbraw/zinc/59/60/71/991596071.db2.gz JYCMLWLPCYXYSO-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCn1cc(CNC[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001392351027 991793147 /nfs/dbraw/zinc/79/31/47/991793147.db2.gz ZBLUDHCHEBAFIX-DZGCQCFKSA-N 1 3 322.457 0.624 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001392485101 991989897 /nfs/dbraw/zinc/98/98/97/991989897.db2.gz YOKJBZBECGZCHP-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001392485101 991989904 /nfs/dbraw/zinc/98/99/04/991989904.db2.gz YOKJBZBECGZCHP-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392500798 992013997 /nfs/dbraw/zinc/01/39/97/992013997.db2.gz CIPUCVWCYWIWPX-IPYPFGDCSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001392500798 992014010 /nfs/dbraw/zinc/01/40/10/992014010.db2.gz CIPUCVWCYWIWPX-IPYPFGDCSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CN(C)CC(C)(C)C ZINC001392607209 992154935 /nfs/dbraw/zinc/15/49/35/992154935.db2.gz CWYLYIJWBMMICQ-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392660766 992226416 /nfs/dbraw/zinc/22/64/16/992226416.db2.gz VDEGJFUKKVTBAW-HOCLYGCPSA-N 1 3 319.453 0.661 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001393055732 992654817 /nfs/dbraw/zinc/65/48/17/992654817.db2.gz QEFIRLXMJGRGCB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001393156075 992721108 /nfs/dbraw/zinc/72/11/08/992721108.db2.gz ATIKYYSOPBDMTN-QGZVFWFLSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001393169322 992726862 /nfs/dbraw/zinc/72/68/62/992726862.db2.gz YGYABIFYXLNSDN-OFQRWUPVSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001393525730 993054837 /nfs/dbraw/zinc/05/48/37/993054837.db2.gz RKYNMXLAHPEQBF-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001393857679 993300064 /nfs/dbraw/zinc/30/00/64/993300064.db2.gz GANUETSYGKZHLB-HZSPNIEDSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O)N(C)C ZINC001394036754 993423082 /nfs/dbraw/zinc/42/30/82/993423082.db2.gz XSYDESZJDURSPJ-CYBMUJFWSA-N 1 3 300.447 0.132 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001394052669 993437889 /nfs/dbraw/zinc/43/78/89/993437889.db2.gz JEINWTPUEQBDRI-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001394390336 993673796 /nfs/dbraw/zinc/67/37/96/993673796.db2.gz KGNWXGNIOIKKHC-NZBPQXDJSA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001394397844 993679910 /nfs/dbraw/zinc/67/99/10/993679910.db2.gz ZSKSWWKZXHZXDR-OBJOEFQTSA-N 1 3 308.430 0.140 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCn1cncn1 ZINC001394531454 993802176 /nfs/dbraw/zinc/80/21/76/993802176.db2.gz WOJYICWDLOTWCV-AWEZNQCLSA-N 1 3 324.473 0.693 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCc1cnn(C)c1 ZINC001394541814 993813574 /nfs/dbraw/zinc/81/35/74/993813574.db2.gz SVIFSFQBITWPCU-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC/C=C/c2ccccc2)C1 ZINC001394653636 993973926 /nfs/dbraw/zinc/97/39/26/993973926.db2.gz BKGYSUWLPOKEDE-DIYXLRBJSA-N 1 3 317.433 0.718 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC/C=C/c2ccccc2)C1 ZINC001394653636 993973932 /nfs/dbraw/zinc/97/39/32/993973932.db2.gz BKGYSUWLPOKEDE-DIYXLRBJSA-N 1 3 317.433 0.718 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCc1ccnn1C ZINC001394718521 994052948 /nfs/dbraw/zinc/05/29/48/994052948.db2.gz SIOYKVOAFCPLGP-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001395663696 994847509 /nfs/dbraw/zinc/84/75/09/994847509.db2.gz QHVKAXDODUBIHV-UKRRQHHQSA-N 1 3 314.474 0.487 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001507033797 1015907465 /nfs/dbraw/zinc/90/74/65/1015907465.db2.gz AEQMNVXRYFDGTG-OCCSQVGLSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCn1cccn1 ZINC001400913229 995058072 /nfs/dbraw/zinc/05/80/72/995058072.db2.gz ZMUGCSQIHFQBIH-CYBMUJFWSA-N 1 3 304.398 0.642 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCC1 ZINC001400990322 995104844 /nfs/dbraw/zinc/10/48/44/995104844.db2.gz NGGYDMSRZNTJEJ-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001400995173 995107108 /nfs/dbraw/zinc/10/71/08/995107108.db2.gz LGVWAOZZLHRVDL-JJRVBVJISA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCC(=O)NC)C2CC2)CC[N@H+]1C ZINC001400995173 995107114 /nfs/dbraw/zinc/10/71/14/995107114.db2.gz LGVWAOZZLHRVDL-JJRVBVJISA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001401084052 995159391 /nfs/dbraw/zinc/15/93/91/995159391.db2.gz PMUYDHMWYDTCEB-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)CC[N@H+]1C ZINC001401084052 995159401 /nfs/dbraw/zinc/15/94/01/995159401.db2.gz PMUYDHMWYDTCEB-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC(NC(=O)CC[NH+](C)C)C1 ZINC001396189000 995248884 /nfs/dbraw/zinc/24/88/84/995248884.db2.gz PXQLSJYPGMBFBH-UHFFFAOYSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001396916242 995681836 /nfs/dbraw/zinc/68/18/36/995681836.db2.gz CPBGOJBATVJCPX-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001396916242 995681841 /nfs/dbraw/zinc/68/18/41/995681841.db2.gz CPBGOJBATVJCPX-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001396931033 995689230 /nfs/dbraw/zinc/68/92/30/995689230.db2.gz MPJNYCSHORMPDF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001396931033 995689235 /nfs/dbraw/zinc/68/92/35/995689235.db2.gz MPJNYCSHORMPDF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001397205695 995863417 /nfs/dbraw/zinc/86/34/17/995863417.db2.gz DZNANUWZUIVHKU-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397205695 995863423 /nfs/dbraw/zinc/86/34/23/995863423.db2.gz DZNANUWZUIVHKU-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001507129373 1016007289 /nfs/dbraw/zinc/00/72/89/1016007289.db2.gz XJVVMMOUTSEAQD-CHWSQXEVSA-N 1 3 314.474 0.665 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001507126010 1016008374 /nfs/dbraw/zinc/00/83/74/1016008374.db2.gz KLEYWYCWSUERLM-OLZOCXBDSA-N 1 3 314.474 0.535 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001398418515 996508405 /nfs/dbraw/zinc/50/84/05/996508405.db2.gz XCTLACFODSNGHS-FZMZJTMJSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001398625240 996610802 /nfs/dbraw/zinc/61/08/02/996610802.db2.gz RSQQXFWPTJLHDV-OKILXGFUSA-N 1 3 324.469 0.574 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001398766979 996678679 /nfs/dbraw/zinc/67/86/79/996678679.db2.gz XDMQUQMAQUJVMD-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)CN2CCC(C)CC2)C1=O ZINC001404320530 996977386 /nfs/dbraw/zinc/97/73/86/996977386.db2.gz DGJIFIRQURNFGL-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO COc1ccc(CN[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001399114737 996983165 /nfs/dbraw/zinc/98/31/65/996983165.db2.gz MUHIWUZWZQMZAE-ZDUSSCGKSA-N 1 3 318.421 0.780 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001399219077 997092446 /nfs/dbraw/zinc/09/24/46/997092446.db2.gz JNVXFYWGSBLHJY-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404549100 997232286 /nfs/dbraw/zinc/23/22/86/997232286.db2.gz NSKPIHFYPBVKSV-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)=CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001502887230 1016119030 /nfs/dbraw/zinc/11/90/30/1016119030.db2.gz GSWHUGUEXSPBLU-UHFFFAOYSA-N 1 3 306.410 0.862 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)N[C@@H]1CCc2c1cccc2F ZINC001507234079 1016158835 /nfs/dbraw/zinc/15/88/35/1016158835.db2.gz YRSMFXYCZNWMCC-MLGOLLRUSA-N 1 3 323.412 0.831 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCC1 ZINC001405287806 998063471 /nfs/dbraw/zinc/06/34/71/998063471.db2.gz JUGDQRNQTMPVHP-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@H](C)C(=O)NC)CCCC1 ZINC001405419297 998210521 /nfs/dbraw/zinc/21/05/21/998210521.db2.gz KKVNTKQQRKHFIN-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC001507293505 1016226464 /nfs/dbraw/zinc/22/64/64/1016226464.db2.gz NQNHSOSNGMKSSD-DGCLKSJQSA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC001507293505 1016226470 /nfs/dbraw/zinc/22/64/70/1016226470.db2.gz NQNHSOSNGMKSSD-DGCLKSJQSA-N 1 3 308.430 0.534 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1C ZINC001507329574 1016257775 /nfs/dbraw/zinc/25/77/75/1016257775.db2.gz WBPMIKHTLGDRMK-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001468991386 1016297564 /nfs/dbraw/zinc/29/75/64/1016297564.db2.gz CWFZAAOGPVDYSF-FFHGMXDLSA-N 1 3 310.442 0.632 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001468991386 1016297565 /nfs/dbraw/zinc/29/75/65/1016297565.db2.gz CWFZAAOGPVDYSF-FFHGMXDLSA-N 1 3 310.442 0.632 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H](N[C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001507441833 1016332541 /nfs/dbraw/zinc/33/25/41/1016332541.db2.gz DGAARMDUQNGYPQ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001401571811 1000505843 /nfs/dbraw/zinc/50/58/43/1000505843.db2.gz COIPBGCHRRWSEZ-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401610392 1000547309 /nfs/dbraw/zinc/54/73/09/1000547309.db2.gz RIXVVMOEFIVTHD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401610392 1000547312 /nfs/dbraw/zinc/54/73/12/1000547312.db2.gz RIXVVMOEFIVTHD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001401676716 1000615164 /nfs/dbraw/zinc/61/51/64/1000615164.db2.gz XDVGEITWALGUTE-GFCCVEGCSA-N 1 3 308.430 0.583 20 0 DCADHO CNC(=O)c1cccc(CNC[C@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001401701530 1000639400 /nfs/dbraw/zinc/63/94/00/1000639400.db2.gz WHBPYUDZAGVAFR-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402047069 1000971062 /nfs/dbraw/zinc/97/10/62/1000971062.db2.gz AZCRKEHJFNMBII-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001402047069 1000971068 /nfs/dbraw/zinc/97/10/68/1000971068.db2.gz AZCRKEHJFNMBII-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001419413485 1001032640 /nfs/dbraw/zinc/03/26/40/1001032640.db2.gz NYNJZIONDAOFNT-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001419431188 1001044849 /nfs/dbraw/zinc/04/48/49/1001044849.db2.gz VZBLDWBHTKVOGD-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001419441356 1001050943 /nfs/dbraw/zinc/05/09/43/1001050943.db2.gz WPBKCXLXJSBGNT-HDJSIYSDSA-N 1 3 307.442 0.541 20 0 DCADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001419461550 1001069356 /nfs/dbraw/zinc/06/93/56/1001069356.db2.gz NLUHJHOUZBXGLO-DKUMPPAJSA-N 1 3 322.453 0.327 20 0 DCADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001419461550 1001069362 /nfs/dbraw/zinc/06/93/62/1001069362.db2.gz NLUHJHOUZBXGLO-DKUMPPAJSA-N 1 3 322.453 0.327 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N2CCC2)C1 ZINC001402167519 1001078545 /nfs/dbraw/zinc/07/85/45/1001078545.db2.gz CKXXMUSRSRUFTA-KRWDZBQOSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001402179200 1001090893 /nfs/dbraw/zinc/09/08/93/1001090893.db2.gz SUUMFZNGJXWPKN-BBRMVZONSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001419516138 1001110009 /nfs/dbraw/zinc/11/00/09/1001110009.db2.gz KVCNMBRULGQUCW-QLFBSQMISA-N 1 3 307.442 0.706 20 0 DCADHO Cc1oncc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402257863 1001145076 /nfs/dbraw/zinc/14/50/76/1001145076.db2.gz IHFVIERZZNPSJD-GOEBONIOSA-N 1 3 322.409 0.130 20 0 DCADHO Cc1oncc1CN1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402257863 1001145080 /nfs/dbraw/zinc/14/50/80/1001145080.db2.gz IHFVIERZZNPSJD-GOEBONIOSA-N 1 3 322.409 0.130 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1 ZINC001419622344 1001177456 /nfs/dbraw/zinc/17/74/56/1001177456.db2.gz CHPICICEJYTYAK-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419749420 1001277353 /nfs/dbraw/zinc/27/73/53/1001277353.db2.gz SBDNEBAWWBLCPS-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419749420 1001277358 /nfs/dbraw/zinc/27/73/58/1001277358.db2.gz SBDNEBAWWBLCPS-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001419791511 1001310323 /nfs/dbraw/zinc/31/03/23/1001310323.db2.gz CQPXOUISKACDMC-KBPBESRZSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC001419820311 1001333433 /nfs/dbraw/zinc/33/34/33/1001333433.db2.gz KKPCVZSZCMPECO-FZMZJTMJSA-N 1 3 319.409 0.057 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001402493752 1001358223 /nfs/dbraw/zinc/35/82/23/1001358223.db2.gz LUEVWSOLMNWAQR-JOCQHMNTSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001419853970 1001358244 /nfs/dbraw/zinc/35/82/44/1001358244.db2.gz QZSWDEWTEPCTOY-UONOGXRCSA-N 1 3 320.437 0.321 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001419936074 1001417281 /nfs/dbraw/zinc/41/72/81/1001417281.db2.gz MOWIDDFLTUVCBS-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001402630055 1001451260 /nfs/dbraw/zinc/45/12/60/1001451260.db2.gz MBDAKKNBSGFYNH-MBNYWOFBSA-N 1 3 308.430 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001402775702 1001497163 /nfs/dbraw/zinc/49/71/63/1001497163.db2.gz QTJCCIKYTZOJAC-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1cnn(C)c1 ZINC001402785996 1001502260 /nfs/dbraw/zinc/50/22/60/1001502260.db2.gz WUSWWNZKIOOHOJ-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]CCn2cncn2)CC1 ZINC001402828843 1001519871 /nfs/dbraw/zinc/51/98/71/1001519871.db2.gz LWJIQSJMBGQTNE-UHFFFAOYSA-N 1 3 322.457 0.635 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001402842769 1001528648 /nfs/dbraw/zinc/52/86/48/1001528648.db2.gz XMROGXNJVLKXMS-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001402895764 1001562864 /nfs/dbraw/zinc/56/28/64/1001562864.db2.gz VVBSUAYDXICZPD-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001402895764 1001562867 /nfs/dbraw/zinc/56/28/67/1001562867.db2.gz VVBSUAYDXICZPD-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001402897415 1001563715 /nfs/dbraw/zinc/56/37/15/1001563715.db2.gz YSCNEZOYAGKKAH-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001402897415 1001563719 /nfs/dbraw/zinc/56/37/19/1001563719.db2.gz YSCNEZOYAGKKAH-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](O)COC)N(C)C ZINC001402919583 1001578703 /nfs/dbraw/zinc/57/87/03/1001578703.db2.gz IHXQSRBDZMEQNP-KFWWJZLASA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@@H](O)COC)N(C)C ZINC001402919583 1001578705 /nfs/dbraw/zinc/57/87/05/1001578705.db2.gz IHXQSRBDZMEQNP-KFWWJZLASA-N 1 3 315.458 0.257 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CC(CNCc2nccn2C)C1 ZINC001402935219 1001588358 /nfs/dbraw/zinc/58/83/58/1001588358.db2.gz BEWBTRWVZUGAII-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CC(CNCc2nccn2C)C1 ZINC001402935219 1001588361 /nfs/dbraw/zinc/58/83/61/1001588361.db2.gz BEWBTRWVZUGAII-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001402987428 1001620059 /nfs/dbraw/zinc/62/00/59/1001620059.db2.gz NTOXKWDOGUDYDN-RDBSUJKOSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001402987428 1001620063 /nfs/dbraw/zinc/62/00/63/1001620063.db2.gz NTOXKWDOGUDYDN-RDBSUJKOSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCCC1 ZINC001403006940 1001629487 /nfs/dbraw/zinc/62/94/87/1001629487.db2.gz FARGRFIEQGJSNR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCCC1 ZINC001403006940 1001629491 /nfs/dbraw/zinc/62/94/91/1001629491.db2.gz FARGRFIEQGJSNR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nc(CN[C@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001403040178 1001644548 /nfs/dbraw/zinc/64/45/48/1001644548.db2.gz NKJXEWONGLGYSM-OLZOCXBDSA-N 1 3 322.457 0.972 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001403061056 1001655161 /nfs/dbraw/zinc/65/51/61/1001655161.db2.gz RTUDEFPGXVLVQW-VXGBXAGGSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H](C)C(=O)N(C)C ZINC001403170660 1001705913 /nfs/dbraw/zinc/70/59/13/1001705913.db2.gz TUDKXDQXXBFFJK-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001419957563 1001722058 /nfs/dbraw/zinc/72/20/58/1001722058.db2.gz IMFXNMTZYXFPJB-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001419957563 1001722062 /nfs/dbraw/zinc/72/20/62/1001722062.db2.gz IMFXNMTZYXFPJB-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CCC(CC)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419972316 1001736321 /nfs/dbraw/zinc/73/63/21/1001736321.db2.gz NJLHBFOIJLCWDJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(CC)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419972316 1001736324 /nfs/dbraw/zinc/73/63/24/1001736324.db2.gz NJLHBFOIJLCWDJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001403213487 1001737893 /nfs/dbraw/zinc/73/78/93/1001737893.db2.gz PDNDCTBPCVIMTJ-HNNXBMFYSA-N 1 3 319.453 0.761 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420012452 1001764862 /nfs/dbraw/zinc/76/48/62/1001764862.db2.gz KCGHNHYSFRXPJX-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001403273770 1001773168 /nfs/dbraw/zinc/77/31/68/1001773168.db2.gz XYOMCKHZZPPLHB-AWEZNQCLSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001420061301 1001793412 /nfs/dbraw/zinc/79/34/12/1001793412.db2.gz NKQJNLIBRVVWMI-AWEZNQCLSA-N 1 3 322.457 0.496 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001420061301 1001793416 /nfs/dbraw/zinc/79/34/16/1001793416.db2.gz NKQJNLIBRVVWMI-AWEZNQCLSA-N 1 3 322.457 0.496 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001505761014 1016532786 /nfs/dbraw/zinc/53/27/86/1016532786.db2.gz QFURJVSTKKRXHQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001420127992 1001916804 /nfs/dbraw/zinc/91/68/04/1001916804.db2.gz NVKPNUMEKOMYKR-CVEARBPZSA-N 1 3 320.437 0.521 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001420127992 1001916810 /nfs/dbraw/zinc/91/68/10/1001916810.db2.gz NVKPNUMEKOMYKR-CVEARBPZSA-N 1 3 320.437 0.521 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1 ZINC001420148150 1001943758 /nfs/dbraw/zinc/94/37/58/1001943758.db2.gz WJSBWFJNGBYYBX-MRXNPFEDSA-N 1 3 320.437 0.441 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001403513467 1002060306 /nfs/dbraw/zinc/06/03/06/1002060306.db2.gz PIBOLTIEXMHTTN-KGLIPLIRSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1cncn1C ZINC001403585580 1002171446 /nfs/dbraw/zinc/17/14/46/1002171446.db2.gz BHKZYLFOBWQZHG-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420298972 1002186968 /nfs/dbraw/zinc/18/69/68/1002186968.db2.gz KBQYKUOIILUQIT-GFCCVEGCSA-N 1 3 307.442 0.807 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001420310017 1002201308 /nfs/dbraw/zinc/20/13/08/1002201308.db2.gz OEKRNWJXZHRYRQ-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCc1ccnn1C ZINC001403612551 1002209080 /nfs/dbraw/zinc/20/90/80/1002209080.db2.gz YJNGXAUEXJESAU-GFCCVEGCSA-N 1 3 304.398 0.365 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001420337167 1002246613 /nfs/dbraw/zinc/24/66/13/1002246613.db2.gz HGUZKZGSLPORJE-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001420377093 1002306932 /nfs/dbraw/zinc/30/69/32/1002306932.db2.gz NWDGYHGXMWOWPU-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H](CN[C@@H]2CCNC2=O)C(C)(C)C)CC1 ZINC001508016800 1016609479 /nfs/dbraw/zinc/60/94/79/1016609479.db2.gz YFDHTCAZDCARCQ-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001420444682 1002426928 /nfs/dbraw/zinc/42/69/28/1002426928.db2.gz OXCIYFKCLPBPHX-ZDUSSCGKSA-N 1 3 319.453 0.951 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420460064 1002449461 /nfs/dbraw/zinc/44/94/61/1002449461.db2.gz ZBSGCEBUALQQDG-XUXIUFHCSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420460064 1002449456 /nfs/dbraw/zinc/44/94/56/1002449456.db2.gz ZBSGCEBUALQQDG-XUXIUFHCSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420504531 1002518234 /nfs/dbraw/zinc/51/82/34/1002518234.db2.gz HPGBUCPCVMHBES-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420504531 1002518244 /nfs/dbraw/zinc/51/82/44/1002518244.db2.gz HPGBUCPCVMHBES-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001403804579 1002548613 /nfs/dbraw/zinc/54/86/13/1002548613.db2.gz HMOMSGVKKXKVCD-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001403804579 1002548623 /nfs/dbraw/zinc/54/86/23/1002548623.db2.gz HMOMSGVKKXKVCD-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)C(C)(C)C1)N(C)C ZINC001403832518 1002598044 /nfs/dbraw/zinc/59/80/44/1002598044.db2.gz VVCVPCYXPJYTGB-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC001425379425 1002624079 /nfs/dbraw/zinc/62/40/79/1002624079.db2.gz FCRVJSGQYCSOIW-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2C1 ZINC001425379425 1002624084 /nfs/dbraw/zinc/62/40/84/1002624084.db2.gz FCRVJSGQYCSOIW-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO CN1CC[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C1=O ZINC001403981194 1002844022 /nfs/dbraw/zinc/84/40/22/1002844022.db2.gz FJVUTQKWHHCLDW-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001420729508 1002874891 /nfs/dbraw/zinc/87/48/91/1002874891.db2.gz SWNMRMSLJWBJEL-GFCCVEGCSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001425638952 1002918699 /nfs/dbraw/zinc/91/86/99/1002918699.db2.gz LIPKNBRYLVPWDT-TZMCWYRMSA-N 1 3 321.425 0.400 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001425684672 1002955302 /nfs/dbraw/zinc/95/53/02/1002955302.db2.gz QNIVNAZUAGHMCK-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001425684672 1002955307 /nfs/dbraw/zinc/95/53/07/1002955307.db2.gz QNIVNAZUAGHMCK-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCN(CCO[C@@H]2CC2(F)F)C1 ZINC001404062940 1002962185 /nfs/dbraw/zinc/96/21/85/1002962185.db2.gz GBPLVADPHNFWSL-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCCC(F)(F)F)C1 ZINC001425837280 1003165222 /nfs/dbraw/zinc/16/52/22/1003165222.db2.gz QSFHNSOJZCDLJB-MNOVXSKESA-N 1 3 311.348 0.347 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)NCCC(F)(F)F)C1 ZINC001425837280 1003165226 /nfs/dbraw/zinc/16/52/26/1003165226.db2.gz QSFHNSOJZCDLJB-MNOVXSKESA-N 1 3 311.348 0.347 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001425881056 1003214268 /nfs/dbraw/zinc/21/42/68/1003214268.db2.gz JGMQDBFQCKNBAK-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(N)=O ZINC001406007066 1003258877 /nfs/dbraw/zinc/25/88/77/1003258877.db2.gz WAFKERFUMRSJQU-ZIAGYGMSSA-N 1 3 321.425 0.577 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001421168249 1003399310 /nfs/dbraw/zinc/39/93/10/1003399310.db2.gz KXQYSTCKIIIEHL-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001421168249 1003399314 /nfs/dbraw/zinc/39/93/14/1003399314.db2.gz KXQYSTCKIIIEHL-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N(C)C)C1 ZINC001421265582 1003488670 /nfs/dbraw/zinc/48/86/70/1003488670.db2.gz AQYSYLHARAPIEZ-INIZCTEOSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001426237910 1003670484 /nfs/dbraw/zinc/67/04/84/1003670484.db2.gz PMNZEAWPPVHMMT-GRTSSRMGSA-N 1 3 324.469 0.574 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)CCC[NH+](C)C ZINC001406511423 1003776712 /nfs/dbraw/zinc/77/67/12/1003776712.db2.gz YUXCGUWGCDHGQU-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001406535913 1003798943 /nfs/dbraw/zinc/79/89/43/1003798943.db2.gz YDQHCOUTKPYYTI-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001406535913 1003798949 /nfs/dbraw/zinc/79/89/49/1003798949.db2.gz YDQHCOUTKPYYTI-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406543932 1003812130 /nfs/dbraw/zinc/81/21/30/1003812130.db2.gz LNPAKWCLPLSFKA-GXTWGEPZSA-N 1 3 322.457 0.543 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406543932 1003812136 /nfs/dbraw/zinc/81/21/36/1003812136.db2.gz LNPAKWCLPLSFKA-GXTWGEPZSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001427315378 1004317865 /nfs/dbraw/zinc/31/78/65/1004317865.db2.gz PSYCRGAOAKFQKQ-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001407567662 1004734144 /nfs/dbraw/zinc/73/41/44/1004734144.db2.gz YBRGKCGVTQQBNE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001414512386 1005350482 /nfs/dbraw/zinc/35/04/82/1005350482.db2.gz QFGMSVZHQUGRMY-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001414657496 1005377847 /nfs/dbraw/zinc/37/78/47/1005377847.db2.gz WQWBYTXIGCLPST-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001415021134 1005443152 /nfs/dbraw/zinc/44/31/52/1005443152.db2.gz ZDZFWBMLCQKFBK-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001415021134 1005443153 /nfs/dbraw/zinc/44/31/53/1005443153.db2.gz ZDZFWBMLCQKFBK-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001415326814 1005503329 /nfs/dbraw/zinc/50/33/29/1005503329.db2.gz QSECJZZFBWDDBP-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001416677284 1005722635 /nfs/dbraw/zinc/72/26/35/1005722635.db2.gz DBZAMDFAFQCNMI-OAHLLOKOSA-N 1 3 314.474 0.441 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001416814353 1005740479 /nfs/dbraw/zinc/74/04/79/1005740479.db2.gz QOXBCVHWPGYKAQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001416859894 1005748240 /nfs/dbraw/zinc/74/82/40/1005748240.db2.gz BVGTYIRPKXHUKQ-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001416947965 1005764445 /nfs/dbraw/zinc/76/44/45/1005764445.db2.gz LATAIDWHCRVPMY-DGAVXFQQSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001416947965 1005764446 /nfs/dbraw/zinc/76/44/46/1005764446.db2.gz LATAIDWHCRVPMY-DGAVXFQQSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001417340722 1005823824 /nfs/dbraw/zinc/82/38/24/1005823824.db2.gz IWCXAMFYSVSJGA-MRXNPFEDSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001418017247 1005957522 /nfs/dbraw/zinc/95/75/22/1005957522.db2.gz AYWYMHDDNRWZLK-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001418017247 1005957526 /nfs/dbraw/zinc/95/75/26/1005957526.db2.gz AYWYMHDDNRWZLK-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC001434765163 1005961466 /nfs/dbraw/zinc/96/14/66/1005961466.db2.gz CJVKXYKGDOWZGE-PBHICJAKSA-N 1 3 324.469 0.690 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1 ZINC001434765163 1005961470 /nfs/dbraw/zinc/96/14/70/1005961470.db2.gz CJVKXYKGDOWZGE-PBHICJAKSA-N 1 3 324.469 0.690 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001418078645 1006010891 /nfs/dbraw/zinc/01/08/91/1006010891.db2.gz XOGOZTJGQHPTHW-IHRRRGAJSA-N 1 3 320.441 0.342 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438680897 1006020209 /nfs/dbraw/zinc/02/02/09/1006020209.db2.gz JORLZYCUGORBCK-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001438680897 1006020218 /nfs/dbraw/zinc/02/02/18/1006020218.db2.gz JORLZYCUGORBCK-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001418165912 1006122797 /nfs/dbraw/zinc/12/27/97/1006122797.db2.gz HNVFIFSKCIDEDG-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001438808875 1006135926 /nfs/dbraw/zinc/13/59/26/1006135926.db2.gz SKAFELNHYPBHRN-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001436414564 1006171846 /nfs/dbraw/zinc/17/18/46/1006171846.db2.gz GLJFMXMHLIKVBI-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCCNC1=O ZINC001418222881 1006198703 /nfs/dbraw/zinc/19/87/03/1006198703.db2.gz RELPOUISGJHBKH-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@H]1C[N@H+](C)CCO ZINC001436502570 1006224645 /nfs/dbraw/zinc/22/46/45/1006224645.db2.gz VHNRFFAGZCJGFX-GJZGRUSLSA-N 1 3 317.449 0.972 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@H]1C[N@@H+](C)CCO ZINC001436502570 1006224653 /nfs/dbraw/zinc/22/46/53/1006224653.db2.gz VHNRFFAGZCJGFX-GJZGRUSLSA-N 1 3 317.449 0.972 20 0 DCADHO CN(C(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1)C1CC1 ZINC001436827393 1006396507 /nfs/dbraw/zinc/39/65/07/1006396507.db2.gz JKHCPJHBEVKXLF-ZFWWWQNUSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1)C1CC1 ZINC001436827393 1006396520 /nfs/dbraw/zinc/39/65/20/1006396520.db2.gz JKHCPJHBEVKXLF-ZFWWWQNUSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)NC1CC1)C(=O)[C@H]1CCCN1C ZINC001439069429 1006431490 /nfs/dbraw/zinc/43/14/90/1006431490.db2.gz DLHRFOKSUGFDJU-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@@H]1CCCNC1=O ZINC001439071778 1006433283 /nfs/dbraw/zinc/43/32/83/1006433283.db2.gz NGYXDNJUDHXPJF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@@H]1CCCNC1=O ZINC001439071778 1006433289 /nfs/dbraw/zinc/43/32/89/1006433289.db2.gz NGYXDNJUDHXPJF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCCN1CCn1cccn1 ZINC001437033724 1006540941 /nfs/dbraw/zinc/54/09/41/1006540941.db2.gz FLTJFYAXLMUUGR-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccnn2C)CC[N@@H+]1C ZINC001439235665 1006612108 /nfs/dbraw/zinc/61/21/08/1006612108.db2.gz GBVSLYSRMHCWQX-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccnn2C)CC[N@H+]1C ZINC001439235665 1006612115 /nfs/dbraw/zinc/61/21/15/1006612115.db2.gz GBVSLYSRMHCWQX-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439252746 1006625427 /nfs/dbraw/zinc/62/54/27/1006625427.db2.gz ACHXQZIPHLIJNE-LBPRGKRZSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001439255299 1006625774 /nfs/dbraw/zinc/62/57/74/1006625774.db2.gz QLWOWPOXUYWBLE-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001437153942 1006646136 /nfs/dbraw/zinc/64/61/36/1006646136.db2.gz VNXCJEGFMLDQIA-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001437153942 1006646141 /nfs/dbraw/zinc/64/61/41/1006646141.db2.gz VNXCJEGFMLDQIA-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439284302 1006655505 /nfs/dbraw/zinc/65/55/05/1006655505.db2.gz ZUQQRPFXYKCVMT-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439284302 1006655507 /nfs/dbraw/zinc/65/55/07/1006655507.db2.gz ZUQQRPFXYKCVMT-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437276172 1006797086 /nfs/dbraw/zinc/79/70/86/1006797086.db2.gz NDXHXJYXMRQLHG-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)Nc1ccon1 ZINC001437372027 1006898251 /nfs/dbraw/zinc/89/82/51/1006898251.db2.gz DNXZBKHJHQRXEA-NEPJUHHUSA-N 1 3 323.397 0.192 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001452833268 1007101885 /nfs/dbraw/zinc/10/18/85/1007101885.db2.gz AFHOJXBUNXVMAK-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001452833268 1007101890 /nfs/dbraw/zinc/10/18/90/1007101890.db2.gz AFHOJXBUNXVMAK-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001452982677 1007183136 /nfs/dbraw/zinc/18/31/36/1007183136.db2.gz LMPVEXIXVSJKFW-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001452982677 1007183142 /nfs/dbraw/zinc/18/31/42/1007183142.db2.gz LMPVEXIXVSJKFW-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001452986360 1007184850 /nfs/dbraw/zinc/18/48/50/1007184850.db2.gz KSCGMGRXJCFAGF-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001452986360 1007184856 /nfs/dbraw/zinc/18/48/56/1007184856.db2.gz KSCGMGRXJCFAGF-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1CCCN1CCCC1=O ZINC001437685385 1007259778 /nfs/dbraw/zinc/25/97/78/1007259778.db2.gz YIOSOYMOMPEULU-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(NC[C@H](NCCO)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001437875433 1007474472 /nfs/dbraw/zinc/47/44/72/1007474472.db2.gz SGKMJAMTYXYLFI-HNNXBMFYSA-N 1 3 303.406 0.522 20 0 DCADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001437921703 1007499819 /nfs/dbraw/zinc/49/98/19/1007499819.db2.gz GVPWXLPFYWLSFA-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001437921703 1007499822 /nfs/dbraw/zinc/49/98/22/1007499822.db2.gz GVPWXLPFYWLSFA-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NC2CC2)C1 ZINC001440125881 1007503893 /nfs/dbraw/zinc/50/38/93/1007503893.db2.gz RPWKZCXTZFPKNU-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NC2CC2)C1 ZINC001440125883 1007504447 /nfs/dbraw/zinc/50/44/47/1007504447.db2.gz RPWKZCXTZFPKNU-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001440275826 1007635284 /nfs/dbraw/zinc/63/52/84/1007635284.db2.gz JBDTZBPZAPUJKT-OKILXGFUSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001440336763 1007678425 /nfs/dbraw/zinc/67/84/25/1007678425.db2.gz HCELZYIHWQPPBZ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001440336763 1007678431 /nfs/dbraw/zinc/67/84/31/1007678431.db2.gz HCELZYIHWQPPBZ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCCCN1CCN([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001440386624 1007715791 /nfs/dbraw/zinc/71/57/91/1007715791.db2.gz AYCUIHFCNNBOHZ-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CN(CC(=O)N[C@@](C)(C[NH2+][C@@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001438422668 1007899158 /nfs/dbraw/zinc/89/91/58/1007899158.db2.gz TYNOTYDBMSNCIJ-PBHICJAKSA-N 1 3 322.453 0.234 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001440598145 1007911082 /nfs/dbraw/zinc/91/10/82/1007911082.db2.gz KRVCGRQGPOXETI-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001440598145 1007911086 /nfs/dbraw/zinc/91/10/86/1007911086.db2.gz KRVCGRQGPOXETI-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1ccnn1C ZINC001440861847 1008076044 /nfs/dbraw/zinc/07/60/44/1008076044.db2.gz QLZOFTMBNSNPTA-UONOGXRCSA-N 1 3 309.458 0.786 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN2CC[NH+](CC3CC3)CC2)C1 ZINC001441067727 1008204473 /nfs/dbraw/zinc/20/44/73/1008204473.db2.gz DKKMCECSAIQLOZ-OAHLLOKOSA-N 1 3 308.470 0.472 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001441319463 1008318005 /nfs/dbraw/zinc/31/80/05/1008318005.db2.gz YMZQEPUUEKOVSX-MIGQKNRLSA-N 1 3 309.454 0.800 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001441319463 1008318007 /nfs/dbraw/zinc/31/80/07/1008318007.db2.gz YMZQEPUUEKOVSX-MIGQKNRLSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(N)=O ZINC001441400560 1008346650 /nfs/dbraw/zinc/34/66/50/1008346650.db2.gz CCRRKFNLJQRNLW-CHWSQXEVSA-N 1 3 312.458 0.465 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001441422266 1008351211 /nfs/dbraw/zinc/35/12/11/1008351211.db2.gz ZWSJZCIHZDJWBP-XGUBFFRZSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCc1cnnn1C)C1CC1 ZINC001441449888 1008358926 /nfs/dbraw/zinc/35/89/26/1008358926.db2.gz PAKDTYHGYULKDK-CQSZACIVSA-N 1 3 308.430 0.093 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001441510122 1008382912 /nfs/dbraw/zinc/38/29/12/1008382912.db2.gz NYNJZIONDAOFNT-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)cn1 ZINC001441553695 1008401202 /nfs/dbraw/zinc/40/12/02/1008401202.db2.gz XQAGAJNVLSSSQC-GASCZTMLSA-N 1 3 305.426 0.862 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCc1cnn(C)c1 ZINC001441550949 1008401268 /nfs/dbraw/zinc/40/12/68/1008401268.db2.gz WTGAGMALTYAPJV-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCc1cnn(C)c1 ZINC001441592171 1008416245 /nfs/dbraw/zinc/41/62/45/1008416245.db2.gz FSXTXOZAHCKVIZ-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCc1cnn(C)c1 ZINC001441592171 1008416248 /nfs/dbraw/zinc/41/62/48/1008416248.db2.gz FSXTXOZAHCKVIZ-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001441595849 1008418814 /nfs/dbraw/zinc/41/88/14/1008418814.db2.gz VVTYKCXCNZLRMN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@@H](N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001441637292 1008432576 /nfs/dbraw/zinc/43/25/76/1008432576.db2.gz AUBWSQHCWKQZCE-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001441801402 1008510247 /nfs/dbraw/zinc/51/02/47/1008510247.db2.gz SJCGLEZAAQGVFD-IAGOWNOFSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001441801402 1008510250 /nfs/dbraw/zinc/51/02/50/1008510250.db2.gz SJCGLEZAAQGVFD-IAGOWNOFSA-N 1 3 319.449 0.822 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001441830707 1008534014 /nfs/dbraw/zinc/53/40/14/1008534014.db2.gz SBNWCMLNZVVDNZ-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001441830707 1008534024 /nfs/dbraw/zinc/53/40/24/1008534024.db2.gz SBNWCMLNZVVDNZ-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001441835090 1008539961 /nfs/dbraw/zinc/53/99/61/1008539961.db2.gz AUHKSIGRAVPWDI-ZIAGYGMSSA-N 1 3 324.469 0.574 20 0 DCADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001421443232 1008597225 /nfs/dbraw/zinc/59/72/25/1008597225.db2.gz IZXFNBHAFZIDJT-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001421570387 1008741989 /nfs/dbraw/zinc/74/19/89/1008741989.db2.gz IOHKLORUPSAGGY-VQHPVUNQSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001421570387 1008742000 /nfs/dbraw/zinc/74/20/00/1008742000.db2.gz IOHKLORUPSAGGY-VQHPVUNQSA-N 1 3 323.481 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001421572605 1008743492 /nfs/dbraw/zinc/74/34/92/1008743492.db2.gz SDEQIPPWRYQUMN-WMLDXEAASA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N[C@@H]2CCCNC2=O)CC1 ZINC001441997245 1008777460 /nfs/dbraw/zinc/77/74/60/1008777460.db2.gz OTBLBMJOIPIAJO-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccccc2)C1 ZINC001442007441 1008795030 /nfs/dbraw/zinc/79/50/30/1008795030.db2.gz XPVJJJAYHBPEOF-RDJZCZTQSA-N 1 3 319.449 0.937 20 0 DCADHO CC[C@H](F)CNC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001442030300 1008838006 /nfs/dbraw/zinc/83/80/06/1008838006.db2.gz BWJWPFDSPKSOMC-STQMWFEESA-N 1 3 301.406 0.239 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001433488865 1008847902 /nfs/dbraw/zinc/84/79/02/1008847902.db2.gz XCXCDFHGNCFGPE-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001442053079 1008888115 /nfs/dbraw/zinc/88/81/15/1008888115.db2.gz PWHFUODZNBDDFA-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001442053079 1008888130 /nfs/dbraw/zinc/88/81/30/1008888130.db2.gz PWHFUODZNBDDFA-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCn1nncc1C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001421722617 1008986024 /nfs/dbraw/zinc/98/60/24/1008986024.db2.gz FEPPVTXSNBEJDB-UONOGXRCSA-N 1 3 322.457 0.482 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001433605574 1008992430 /nfs/dbraw/zinc/99/24/30/1008992430.db2.gz RMQJFUGCUQXYEI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001442141078 1009012995 /nfs/dbraw/zinc/01/29/95/1009012995.db2.gz QNUILWWZMPBLCT-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001454334733 1009082063 /nfs/dbraw/zinc/08/20/63/1009082063.db2.gz PQWVKLMLDXOFDZ-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001421864188 1009179978 /nfs/dbraw/zinc/17/99/78/1009179978.db2.gz BRHPVRJBWRFDFC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001421909577 1009249525 /nfs/dbraw/zinc/24/95/25/1009249525.db2.gz XAHLTXXZVZJDMT-IUODEOHRSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001421939701 1009292205 /nfs/dbraw/zinc/29/22/05/1009292205.db2.gz TYPZCMLCWFYRMZ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001433902804 1009330161 /nfs/dbraw/zinc/33/01/61/1009330161.db2.gz JONRDMZXEORTCV-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001433902804 1009330172 /nfs/dbraw/zinc/33/01/72/1009330172.db2.gz JONRDMZXEORTCV-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)CCc2cnn(C)c2)C1 ZINC001422200155 1009637033 /nfs/dbraw/zinc/63/70/33/1009637033.db2.gz MNZNMRQNGUCGKX-OAHLLOKOSA-N 1 3 321.469 0.695 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CCc2cnn(C)c2)C1 ZINC001422200155 1009637043 /nfs/dbraw/zinc/63/70/43/1009637043.db2.gz MNZNMRQNGUCGKX-OAHLLOKOSA-N 1 3 321.469 0.695 20 0 DCADHO CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422357796 1009946636 /nfs/dbraw/zinc/94/66/36/1009946636.db2.gz GCCANUYRHJVGNF-SWLSCSKDSA-N 1 3 303.422 0.674 20 0 DCADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)C(C)(C)O)CC2)CC1 ZINC001434463401 1009978263 /nfs/dbraw/zinc/97/82/63/1009978263.db2.gz AVQXOLRDYRPOND-MRXNPFEDSA-N 1 3 313.486 0.609 20 0 DCADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCN1CCCC1=O ZINC001442975416 1009989733 /nfs/dbraw/zinc/98/97/33/1009989733.db2.gz UUDPBNVAICGQQY-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCN1CCCC1=O ZINC001442975416 1009989744 /nfs/dbraw/zinc/98/97/44/1009989744.db2.gz UUDPBNVAICGQQY-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001455942869 1010050274 /nfs/dbraw/zinc/05/02/74/1010050274.db2.gz PJWQGINIJSOVML-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001455942869 1010050289 /nfs/dbraw/zinc/05/02/89/1010050289.db2.gz PJWQGINIJSOVML-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001422449539 1010102960 /nfs/dbraw/zinc/10/29/60/1010102960.db2.gz UGACBJVSWVJPBC-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001422450701 1010104240 /nfs/dbraw/zinc/10/42/40/1010104240.db2.gz LSSALCKQCJNGSH-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(C(C)C)C1=O)C(=O)CN1CCCC1 ZINC001422457068 1010113641 /nfs/dbraw/zinc/11/36/41/1010113641.db2.gz GNEFVJRAEULHBH-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001506454991 1017293637 /nfs/dbraw/zinc/29/36/37/1017293637.db2.gz RTLYJTLYPBMRPT-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506454991 1017293645 /nfs/dbraw/zinc/29/36/45/1017293645.db2.gz RTLYJTLYPBMRPT-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)c1ccc(CN(C)C)o1)C[NH+]1CCN(C)CC1 ZINC001443426861 1010401400 /nfs/dbraw/zinc/40/14/00/1010401400.db2.gz JWHZMZQQLCIKDN-AWEZNQCLSA-N 1 3 322.453 0.955 20 0 DCADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnn(CCOC)c2)CC1 ZINC001422619953 1010412325 /nfs/dbraw/zinc/41/23/25/1010412325.db2.gz HTRMEFVRKHTRQU-INIZCTEOSA-N 1 3 323.485 0.893 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001508900665 1017094086 /nfs/dbraw/zinc/09/40/86/1017094086.db2.gz CDTAWCMMTCWAAJ-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001508900670 1017095895 /nfs/dbraw/zinc/09/58/95/1017095895.db2.gz CDTAWCMMTCWAAJ-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001520720790 1017307620 /nfs/dbraw/zinc/30/76/20/1017307620.db2.gz IVYJCOQTSQMUIM-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001520720790 1017307628 /nfs/dbraw/zinc/30/76/28/1017307628.db2.gz IVYJCOQTSQMUIM-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)NC)C[C@H]2C1 ZINC001422869692 1010686848 /nfs/dbraw/zinc/68/68/48/1010686848.db2.gz GOSTYLMJMXMTJX-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(=O)NC)C[C@H]2C1 ZINC001422869692 1010686852 /nfs/dbraw/zinc/68/68/52/1010686852.db2.gz GOSTYLMJMXMTJX-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001422927664 1010747518 /nfs/dbraw/zinc/74/75/18/1010747518.db2.gz PQPFNQYJKFZJLF-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001422940737 1010759149 /nfs/dbraw/zinc/75/91/49/1010759149.db2.gz AAYXABUSQJQZSU-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001444028119 1010809374 /nfs/dbraw/zinc/80/93/74/1010809374.db2.gz FYQHJOQLURQCOF-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001444028119 1010809380 /nfs/dbraw/zinc/80/93/80/1010809380.db2.gz FYQHJOQLURQCOF-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001444028123 1010809419 /nfs/dbraw/zinc/80/94/19/1010809419.db2.gz FYQHJOQLURQCOF-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001444028123 1010809425 /nfs/dbraw/zinc/80/94/25/1010809425.db2.gz FYQHJOQLURQCOF-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1cnnn1C)C1CC1)N(C)C ZINC001444129172 1010873064 /nfs/dbraw/zinc/87/30/64/1010873064.db2.gz KPLNJTHABLAIEY-ZBFHGGJFSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001423145297 1010923169 /nfs/dbraw/zinc/92/31/69/1010923169.db2.gz GWHDLQHJSASHJG-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001423145297 1010923172 /nfs/dbraw/zinc/92/31/72/1010923172.db2.gz GWHDLQHJSASHJG-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001444395513 1010997714 /nfs/dbraw/zinc/99/77/14/1010997714.db2.gz QEBGNAXBFXYIBL-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001423258863 1011023865 /nfs/dbraw/zinc/02/38/65/1011023865.db2.gz QRFSARXDTISFMQ-INIZCTEOSA-N 1 3 319.449 0.904 20 0 DCADHO CN1CCC[C@@H](NC2(CNC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001423269520 1011032674 /nfs/dbraw/zinc/03/26/74/1011032674.db2.gz CEGVOOGANFFTGV-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001423319035 1011073096 /nfs/dbraw/zinc/07/30/96/1011073096.db2.gz DHHRZKSURKAGBZ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001444625276 1011100480 /nfs/dbraw/zinc/10/04/80/1011100480.db2.gz IIAPPHXCYWOMGV-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444626477 1011102938 /nfs/dbraw/zinc/10/29/38/1011102938.db2.gz JQHGFHLAVYTYTG-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCCC1 ZINC001423459238 1011163618 /nfs/dbraw/zinc/16/36/18/1011163618.db2.gz YDMJDGSFQHRSGE-ZFWWWQNUSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001444765946 1011164554 /nfs/dbraw/zinc/16/45/54/1011164554.db2.gz AHAHHVBWMPKISH-KBPBESRZSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001444765946 1011164557 /nfs/dbraw/zinc/16/45/57/1011164557.db2.gz AHAHHVBWMPKISH-KBPBESRZSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001444822828 1011180580 /nfs/dbraw/zinc/18/05/80/1011180580.db2.gz SPWIQEPODMGCTH-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423485974 1011181449 /nfs/dbraw/zinc/18/14/49/1011181449.db2.gz PEFUOZVMBPTZOC-GOEBONIOSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423485974 1011181453 /nfs/dbraw/zinc/18/14/53/1011181453.db2.gz PEFUOZVMBPTZOC-GOEBONIOSA-N 1 3 320.437 0.251 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001423489584 1011183009 /nfs/dbraw/zinc/18/30/09/1011183009.db2.gz GDAFSVYPSSAXRC-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001423638884 1011376364 /nfs/dbraw/zinc/37/63/64/1011376364.db2.gz VNPRAJSVEATWEJ-WMLDXEAASA-N 1 3 324.469 0.420 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001445081245 1011386695 /nfs/dbraw/zinc/38/66/95/1011386695.db2.gz FZRAVFYUVTWLBJ-AWEZNQCLSA-N 1 3 307.442 0.305 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445081245 1011386705 /nfs/dbraw/zinc/38/67/05/1011386705.db2.gz FZRAVFYUVTWLBJ-AWEZNQCLSA-N 1 3 307.442 0.305 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001533573444 1011451135 /nfs/dbraw/zinc/45/11/35/1011451135.db2.gz RWHUEZCFQBOTNZ-CNBITHIKSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001533573444 1011451142 /nfs/dbraw/zinc/45/11/42/1011451142.db2.gz RWHUEZCFQBOTNZ-CNBITHIKSA-N 1 3 324.469 0.457 20 0 DCADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@H+](CC3CCC3)C2)CCC1 ZINC001423760881 1011499775 /nfs/dbraw/zinc/49/97/75/1011499775.db2.gz PLJVRXGROJDKJE-MRXNPFEDSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CC3CCC3)C2)CCC1 ZINC001423760881 1011499781 /nfs/dbraw/zinc/49/97/81/1011499781.db2.gz PLJVRXGROJDKJE-MRXNPFEDSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001534862618 1011703651 /nfs/dbraw/zinc/70/36/51/1011703651.db2.gz SMTWBQUHIOYVNL-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001534862618 1011703663 /nfs/dbraw/zinc/70/36/63/1011703663.db2.gz SMTWBQUHIOYVNL-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](C(=O)NCCCCc1cc[nH+]c(N)c1)N1CCN(C)CC1 ZINC001457430250 1011710346 /nfs/dbraw/zinc/71/03/46/1011710346.db2.gz SCSPBYCAIDMGPG-AWEZNQCLSA-N 1 3 319.453 0.739 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445420526 1011750707 /nfs/dbraw/zinc/75/07/07/1011750707.db2.gz VPJIXZIZLWCSCB-OLZOCXBDSA-N 1 3 324.469 0.622 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)s1 ZINC001553428162 1011969725 /nfs/dbraw/zinc/96/97/25/1011969725.db2.gz LSZLGJJZRZGCGT-IHRRRGAJSA-N 1 3 309.435 0.945 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553439529 1011975044 /nfs/dbraw/zinc/97/50/44/1011975044.db2.gz IUBMDVBACOAAHS-XJKSGUPXSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC001553443163 1011978444 /nfs/dbraw/zinc/97/84/44/1011978444.db2.gz GGAQQARUDBCJLN-JJXSEGSLSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553446874 1011980780 /nfs/dbraw/zinc/98/07/80/1011980780.db2.gz HMZGEQZAVBCZIQ-OCCSQVGLSA-N 1 3 308.426 0.291 20 0 DCADHO O=C(N[C@H]1C[NH2+]CC12CCOCC2)N[C@H]1CCN(C2CC2)C1 ZINC001553446871 1011980970 /nfs/dbraw/zinc/98/09/70/1011980970.db2.gz HMZGEQZAVBCZIQ-JSGCOSHPSA-N 1 3 308.426 0.291 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001445596019 1011982356 /nfs/dbraw/zinc/98/23/56/1011982356.db2.gz ZYBSKYIVWLFNLV-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)CC1(C)C ZINC001553483535 1012017067 /nfs/dbraw/zinc/01/70/67/1012017067.db2.gz XKHWHKVJKLKGAY-CZUORRHYSA-N 1 3 309.458 0.145 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553497669 1012032340 /nfs/dbraw/zinc/03/23/40/1012032340.db2.gz LLVKZCMQLGDJGE-JONQDZQNSA-N 1 3 324.469 0.745 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553512589 1012059651 /nfs/dbraw/zinc/05/96/51/1012059651.db2.gz FGVUAOCZGWFZQL-AJNGGQMLSA-N 1 3 310.442 0.368 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C[NH2+]1 ZINC001553515578 1012063359 /nfs/dbraw/zinc/06/33/59/1012063359.db2.gz NPEUFJSXFMTFDK-CBBWQLFWSA-N 1 3 310.442 0.368 20 0 DCADHO CC[C@H](F)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001424238302 1012217742 /nfs/dbraw/zinc/21/77/42/1012217742.db2.gz LCCCIWIKIIMHBK-KBPBESRZSA-N 1 3 303.422 0.892 20 0 DCADHO Cn1nccc1CNCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001424427881 1012494809 /nfs/dbraw/zinc/49/48/09/1012494809.db2.gz KQGBNAYAOVCAJM-UHFFFAOYSA-N 1 3 323.441 0.127 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001445998365 1012500892 /nfs/dbraw/zinc/50/08/92/1012500892.db2.gz ZGTAHKWMXNZRBZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001424445184 1012505925 /nfs/dbraw/zinc/50/59/25/1012505925.db2.gz KFXFFNILWGZWFE-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1 ZINC001446169939 1012658515 /nfs/dbraw/zinc/65/85/15/1012658515.db2.gz MZVCKDCIUDVSRY-KBPBESRZSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1 ZINC001446169939 1012658525 /nfs/dbraw/zinc/65/85/25/1012658525.db2.gz MZVCKDCIUDVSRY-KBPBESRZSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001429755707 1012743316 /nfs/dbraw/zinc/74/33/16/1012743316.db2.gz PRGSBIJCGUSMQZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001429755707 1012743324 /nfs/dbraw/zinc/74/33/24/1012743324.db2.gz PRGSBIJCGUSMQZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001479770922 1017727715 /nfs/dbraw/zinc/72/77/15/1017727715.db2.gz ALAILSKMKRXPTO-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001479770922 1017727724 /nfs/dbraw/zinc/72/77/24/1017727724.db2.gz ALAILSKMKRXPTO-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CN1CC[C@@H](NC2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1=O ZINC001499312323 1017839133 /nfs/dbraw/zinc/83/91/33/1017839133.db2.gz USSBUJKHBDEXAV-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](F)CCN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494608033 1017851207 /nfs/dbraw/zinc/85/12/07/1017851207.db2.gz DTTIBDOMRJODFT-CYBMUJFWSA-N 1 3 315.433 0.893 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001499602493 1017993692 /nfs/dbraw/zinc/99/36/92/1017993692.db2.gz JMSSNHACKBAROV-ZBFHGGJFSA-N 1 3 315.433 0.583 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001499602493 1017993698 /nfs/dbraw/zinc/99/36/98/1017993698.db2.gz JMSSNHACKBAROV-ZBFHGGJFSA-N 1 3 315.433 0.583 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001499858396 1018106010 /nfs/dbraw/zinc/10/60/10/1018106010.db2.gz VNRBPWUCJBUBFP-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001499926315 1018139972 /nfs/dbraw/zinc/13/99/72/1018139972.db2.gz HOWRYZFIUUDNSL-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001499926315 1018139978 /nfs/dbraw/zinc/13/99/78/1018139978.db2.gz HOWRYZFIUUDNSL-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCN(CC)C1=O ZINC001499943950 1018148403 /nfs/dbraw/zinc/14/84/03/1018148403.db2.gz IQIDBSBDDUSPSM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497496047 1018168711 /nfs/dbraw/zinc/16/87/11/1018168711.db2.gz PXDXNBHJZRSXMT-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497496047 1018168719 /nfs/dbraw/zinc/16/87/19/1018168719.db2.gz PXDXNBHJZRSXMT-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001480087341 1018191679 /nfs/dbraw/zinc/19/16/79/1018191679.db2.gz JOQQGFYWGGYYAO-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001480087341 1018191684 /nfs/dbraw/zinc/19/16/84/1018191684.db2.gz JOQQGFYWGGYYAO-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480122109 1018222131 /nfs/dbraw/zinc/22/21/31/1018222131.db2.gz MTISNWOUYSNTCT-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001497600992 1018266439 /nfs/dbraw/zinc/26/64/39/1018266439.db2.gz IUEZOYAAEJDDJQ-RYIMYRPNSA-N 1 3 322.453 0.354 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001497600992 1018266444 /nfs/dbraw/zinc/26/64/44/1018266444.db2.gz IUEZOYAAEJDDJQ-RYIMYRPNSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001497680687 1018329665 /nfs/dbraw/zinc/32/96/65/1018329665.db2.gz MZIYUJNUPZOQBT-PCXLQKCLSA-N 1 3 315.433 0.842 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497816891 1018443771 /nfs/dbraw/zinc/44/37/71/1018443771.db2.gz GYOXZKHEMRGVGZ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001497911476 1018510433 /nfs/dbraw/zinc/51/04/33/1018510433.db2.gz XHGSTGDJUXGDNL-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001480472052 1018569663 /nfs/dbraw/zinc/56/96/63/1018569663.db2.gz MQBCXTXJQLJBPP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001480472052 1018569673 /nfs/dbraw/zinc/56/96/73/1018569673.db2.gz MQBCXTXJQLJBPP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498043894 1018608838 /nfs/dbraw/zinc/60/88/38/1018608838.db2.gz PCPFNJUKTDSSDU-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495698899 1018657395 /nfs/dbraw/zinc/65/73/95/1018657395.db2.gz XIZPQMYAGNMKHL-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CCCCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480575726 1018674011 /nfs/dbraw/zinc/67/40/11/1018674011.db2.gz VXNXCTKKULSKBQ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501161514 1018928944 /nfs/dbraw/zinc/92/89/44/1018928944.db2.gz JNAFFRYRCDPKNN-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501161514 1018928958 /nfs/dbraw/zinc/92/89/58/1018928958.db2.gz JNAFFRYRCDPKNN-HUUCEWRRSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496060934 1019023090 /nfs/dbraw/zinc/02/30/90/1019023090.db2.gz JCAXCTYGPVPKKH-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)CN1CCCC1 ZINC001496229360 1019177042 /nfs/dbraw/zinc/17/70/42/1019177042.db2.gz HPULUTKPIJAWTF-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498637589 1019288800 /nfs/dbraw/zinc/28/88/00/1019288800.db2.gz RSUAKNVWBOOHCM-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498637589 1019288811 /nfs/dbraw/zinc/28/88/11/1019288811.db2.gz RSUAKNVWBOOHCM-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cnnn1C)N(C)C ZINC001498643948 1019297612 /nfs/dbraw/zinc/29/76/12/1019297612.db2.gz OCQQQQJBOSEYHK-AWEZNQCLSA-N 1 3 310.446 0.339 20 0 DCADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001498741343 1019377373 /nfs/dbraw/zinc/37/73/73/1019377373.db2.gz KLXZWGVGRCVVAF-KKUMJFAQSA-N 1 3 322.453 0.234 20 0 DCADHO O=C(NCCN(CCn1cccn1)C1CC1)C12CC[NH+](CC1)C2 ZINC001493436324 1019419036 /nfs/dbraw/zinc/41/90/36/1019419036.db2.gz SILSSSCIZIZMOQ-UHFFFAOYSA-N 1 3 317.437 0.560 20 0 DCADHO CCNC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C(C)C ZINC001496603092 1019446984 /nfs/dbraw/zinc/44/69/84/1019446984.db2.gz NNGUZIWCCJKBIF-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](NCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001493593431 1019549236 /nfs/dbraw/zinc/54/92/36/1019549236.db2.gz XYNHFGVRCLXOOS-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001493696654 1019639544 /nfs/dbraw/zinc/63/95/44/1019639544.db2.gz YXRGECUNRDSLHE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001493696654 1019639553 /nfs/dbraw/zinc/63/95/53/1019639553.db2.gz YXRGECUNRDSLHE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCOC(C)C)C1)N(C)C ZINC001502088079 1019702638 /nfs/dbraw/zinc/70/26/38/1019702638.db2.gz VYQSLSJJLRNDID-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC[C@H]2CCN([C@H]3CCNC3=O)C2)CC1 ZINC001494042896 1019944353 /nfs/dbraw/zinc/94/43/53/1019944353.db2.gz MXYLZLYRJSBDEJ-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000332111740 234515067 /nfs/dbraw/zinc/51/50/67/234515067.db2.gz AAVRECPHLHBUMS-GBJTYRQASA-N 1 3 322.453 0.125 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000342764250 291046056 /nfs/dbraw/zinc/04/60/56/291046056.db2.gz GUFCYJDAGHEANJ-ZIAGYGMSSA-N 1 3 311.426 0.744 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000236838994 202033182 /nfs/dbraw/zinc/03/31/82/202033182.db2.gz LCCIPNVODMGDAN-UHFFFAOYSA-N 1 3 324.469 0.661 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566196366 291280599 /nfs/dbraw/zinc/28/05/99/291280599.db2.gz IURFXSPRTDAGID-HNNXBMFYSA-N 1 3 305.426 0.974 20 0 DCADHO O=C(COC1CC[NH2+]CC1)Nc1ccc2c(c1)CNCCO2 ZINC000566204868 291282030 /nfs/dbraw/zinc/28/20/30/291282030.db2.gz LTLSIBQYIFGPFD-UHFFFAOYSA-N 1 3 305.378 0.876 20 0 DCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000566676893 291317663 /nfs/dbraw/zinc/31/76/63/291317663.db2.gz WCMBAGIGESENSN-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000420426905 240026470 /nfs/dbraw/zinc/02/64/70/240026470.db2.gz WSTXVQMWKKWYLU-JTQLQIEISA-N 1 3 317.459 0.077 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000423025377 240188577 /nfs/dbraw/zinc/18/85/77/240188577.db2.gz LOHHYSRKGUYISM-ZOBUZTSGSA-N 1 3 320.481 0.991 20 0 DCADHO CC(C)N1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000567747013 291374557 /nfs/dbraw/zinc/37/45/57/291374557.db2.gz RHUBIHWIZFOXAW-AWEZNQCLSA-N 1 3 320.441 0.633 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000567917647 291392366 /nfs/dbraw/zinc/39/23/66/291392366.db2.gz ZYSBRGGKWVIYAM-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000415144269 284229331 /nfs/dbraw/zinc/22/93/31/284229331.db2.gz VBSBMLLGJZOLSB-BBRMVZONSA-N 1 3 311.426 0.459 20 0 DCADHO COC(=O)[C@@]1(C)CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000415144269 284229333 /nfs/dbraw/zinc/22/93/33/284229333.db2.gz VBSBMLLGJZOLSB-BBRMVZONSA-N 1 3 311.426 0.459 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000571419083 291513850 /nfs/dbraw/zinc/51/38/50/291513850.db2.gz NNOSVAZRQQMIEK-MJBXVCDLSA-N 1 3 312.458 0.465 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000288569962 220245493 /nfs/dbraw/zinc/24/54/93/220245493.db2.gz HLBCIQDYNMHQCS-UONOGXRCSA-N 1 3 307.394 0.686 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000105233607 194088511 /nfs/dbraw/zinc/08/85/11/194088511.db2.gz ISXUDRPUMKHWMB-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000349934702 285059473 /nfs/dbraw/zinc/05/94/73/285059473.db2.gz ONYJXBLBDAQJGK-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000339585432 253108764 /nfs/dbraw/zinc/10/87/64/253108764.db2.gz XLORMIPMMCWNLX-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000339585432 253108766 /nfs/dbraw/zinc/10/87/66/253108766.db2.gz XLORMIPMMCWNLX-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000339583930 253108867 /nfs/dbraw/zinc/10/88/67/253108867.db2.gz YILDBUDDHPARGE-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339636508 253119559 /nfs/dbraw/zinc/11/95/59/253119559.db2.gz FGDGUIPMCBKPHE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339636508 253119560 /nfs/dbraw/zinc/11/95/60/253119560.db2.gz FGDGUIPMCBKPHE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCNC(=O)C(=O)NC1CC[NH+](CC)CC1)C1CC1 ZINC000339668947 253123169 /nfs/dbraw/zinc/12/31/69/253123169.db2.gz FWBXZMSCYOVXSK-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000340119215 253203153 /nfs/dbraw/zinc/20/31/53/253203153.db2.gz IKRTUTABUPMYDW-OWCLPIDISA-N 1 3 310.486 0.894 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000340485891 253264703 /nfs/dbraw/zinc/26/47/03/253264703.db2.gz RNALJMXBYQGJJH-ZFWWWQNUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000340485891 253264708 /nfs/dbraw/zinc/26/47/08/253264708.db2.gz RNALJMXBYQGJJH-ZFWWWQNUSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@]1(C)CCCO1 ZINC000340472468 253259881 /nfs/dbraw/zinc/25/98/81/253259881.db2.gz BURZFCVJLRWXJA-IAGOWNOFSA-N 1 3 313.486 0.924 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1C ZINC000340520010 253270643 /nfs/dbraw/zinc/27/06/43/253270643.db2.gz XHNOJYUIMFGBSC-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000340520010 253270646 /nfs/dbraw/zinc/27/06/46/253270646.db2.gz XHNOJYUIMFGBSC-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340788654 253304132 /nfs/dbraw/zinc/30/41/32/253304132.db2.gz AUNYWYRDDGOXHG-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340788654 253304134 /nfs/dbraw/zinc/30/41/34/253304134.db2.gz AUNYWYRDDGOXHG-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000346048710 254003106 /nfs/dbraw/zinc/00/31/06/254003106.db2.gz CDNOIJWYASTFPO-CQSZACIVSA-N 1 3 310.442 0.032 20 0 DCADHO CN1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000346048710 254003109 /nfs/dbraw/zinc/00/31/09/254003109.db2.gz CDNOIJWYASTFPO-CQSZACIVSA-N 1 3 310.442 0.032 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000346237154 254026433 /nfs/dbraw/zinc/02/64/33/254026433.db2.gz YYNNSCMJFNRXBI-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000346237154 254026435 /nfs/dbraw/zinc/02/64/35/254026435.db2.gz YYNNSCMJFNRXBI-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CN(C)C)CC1=O ZINC000346237153 254026834 /nfs/dbraw/zinc/02/68/34/254026834.db2.gz YYNNSCMJFNRXBI-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CN(C)C)CC1=O ZINC000346237153 254026836 /nfs/dbraw/zinc/02/68/36/254026836.db2.gz YYNNSCMJFNRXBI-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000347049620 254124756 /nfs/dbraw/zinc/12/47/56/254124756.db2.gz NDIUVPIEQQELLW-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000347049620 254124758 /nfs/dbraw/zinc/12/47/58/254124758.db2.gz NDIUVPIEQQELLW-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000347967781 254206122 /nfs/dbraw/zinc/20/61/22/254206122.db2.gz HARXVRPDLNQMOI-HZSPNIEDSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000347967781 254206123 /nfs/dbraw/zinc/20/61/23/254206123.db2.gz HARXVRPDLNQMOI-HZSPNIEDSA-N 1 3 310.442 0.138 20 0 DCADHO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1CCN(CCO)CC1 ZINC000349666921 254292325 /nfs/dbraw/zinc/29/23/25/254292325.db2.gz LOBOTMTZUIYGHM-AWEZNQCLSA-N 1 3 314.474 0.720 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000349692324 254293521 /nfs/dbraw/zinc/29/35/21/254293521.db2.gz KQNZVZBGXKRXMI-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)C1=CC[N@H+](C)CC1 ZINC000348766970 254254071 /nfs/dbraw/zinc/25/40/71/254254071.db2.gz VAIGYLGGDQNHJS-CQSZACIVSA-N 1 3 322.453 0.307 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000348766970 254254072 /nfs/dbraw/zinc/25/40/72/254254072.db2.gz VAIGYLGGDQNHJS-CQSZACIVSA-N 1 3 322.453 0.307 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349012451 254269280 /nfs/dbraw/zinc/26/92/80/254269280.db2.gz ZNFJZYWSJBBFGE-UHFFFAOYSA-N 1 3 313.442 0.371 20 0 DCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)C[C@@H]3CSCCN3)cc2C1 ZINC000349057369 254271774 /nfs/dbraw/zinc/27/17/74/254271774.db2.gz NIICSSCAWOQXPD-DGCLKSJQSA-N 1 3 306.435 0.931 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000341996967 285195250 /nfs/dbraw/zinc/19/52/50/285195250.db2.gz DROVPSSPZNIFRJ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1 ZINC000125555775 285246654 /nfs/dbraw/zinc/24/66/54/285246654.db2.gz ISNGYAMOGUOZSJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1 ZINC000125555775 285246656 /nfs/dbraw/zinc/24/66/56/285246656.db2.gz ISNGYAMOGUOZSJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCN(CCC(=O)N(C2CC2)C2CC[NH2+]CC2)CC1 ZINC000368553565 285315456 /nfs/dbraw/zinc/31/54/56/285315456.db2.gz ADBKYSFMDMEWRY-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc2c(c1)CNCCO2 ZINC000295005675 224373969 /nfs/dbraw/zinc/37/39/69/224373969.db2.gz LRZPMALKLIBJSQ-CQSZACIVSA-N 1 3 305.378 0.876 20 0 DCADHO CN(C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275424840 130318791 /nfs/dbraw/zinc/31/87/91/130318791.db2.gz AQCMCOYHPHACAW-UHFFFAOYSA-N 1 3 306.410 0.407 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118107377 395859866 /nfs/dbraw/zinc/85/98/66/395859866.db2.gz MEWLJGYMXRIUEL-OAHLLOKOSA-N 1 3 318.421 0.897 20 0 DCADHO CCCC[C@@H](N)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000236818073 395898828 /nfs/dbraw/zinc/89/88/28/395898828.db2.gz KUUTXJMTECUSDL-CYBMUJFWSA-N 1 3 324.429 0.017 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000245383214 395927277 /nfs/dbraw/zinc/92/72/77/395927277.db2.gz NVUKUZGNUQLTSD-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000245383214 395927282 /nfs/dbraw/zinc/92/72/82/395927282.db2.gz NVUKUZGNUQLTSD-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245383213 395927662 /nfs/dbraw/zinc/92/76/62/395927662.db2.gz NVUKUZGNUQLTSD-HUUCEWRRSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245383213 395927664 /nfs/dbraw/zinc/92/76/64/395927664.db2.gz NVUKUZGNUQLTSD-HUUCEWRRSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000121756376 395885364 /nfs/dbraw/zinc/88/53/64/395885364.db2.gz UZAOOEUXHZTEQT-HIFRSBDPSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H]1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000253237599 396025391 /nfs/dbraw/zinc/02/53/91/396025391.db2.gz PCHHZAUZXXWFLS-HZSPNIEDSA-N 1 3 303.472 0.575 20 0 DCADHO C[C@H](C(=O)N1CCCCC1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261846013 396072074 /nfs/dbraw/zinc/07/20/74/396072074.db2.gz CZDOCMBGUHYTLJ-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000261983244 396086626 /nfs/dbraw/zinc/08/66/26/396086626.db2.gz IXUZUAULSLYMGD-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO c1ncn(-c2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)n1 ZINC000262137098 396102753 /nfs/dbraw/zinc/10/27/53/396102753.db2.gz OXMMYPQUEFNSNG-KRWDZBQOSA-N 1 3 312.421 0.747 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000171210881 396110789 /nfs/dbraw/zinc/11/07/89/396110789.db2.gz NMQBQNYJLOPZST-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000263234926 396207636 /nfs/dbraw/zinc/20/76/36/396207636.db2.gz JDOMVVVBBAWRQX-ZFWWWQNUSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000263234926 396207638 /nfs/dbraw/zinc/20/76/38/396207638.db2.gz JDOMVVVBBAWRQX-ZFWWWQNUSA-N 1 3 312.458 0.467 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1=O ZINC000073290349 396144072 /nfs/dbraw/zinc/14/40/72/396144072.db2.gz ZBNZKCFKCKIOGN-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262550892 396153622 /nfs/dbraw/zinc/15/36/22/396153622.db2.gz TUBXXNCKICFVER-STQMWFEESA-N 1 3 313.467 0.187 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)C(C)(C)[NH3+])cc2)CC1 ZINC000262644727 396166721 /nfs/dbraw/zinc/16/67/21/396166721.db2.gz MWISRNWCUGXVHN-UHFFFAOYSA-N 1 3 304.438 0.788 20 0 DCADHO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000262699243 396174209 /nfs/dbraw/zinc/17/42/09/396174209.db2.gz GIILMBYBDMERGJ-MRXNPFEDSA-N 1 3 310.442 0.271 20 0 DCADHO CCN1CCN(CCCC[NH2+][C@@H](C)CS(=O)(=O)CC)CC1 ZINC000182410236 396250804 /nfs/dbraw/zinc/25/08/04/396250804.db2.gz IYJDTIDLMXQJDM-HNNXBMFYSA-N 1 3 319.515 0.817 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C[NH+]1CCCC1 ZINC000081266343 396296057 /nfs/dbraw/zinc/29/60/57/396296057.db2.gz WDLGCBWFQCXRQR-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](CNC(=O)N(C)CCC[NH+](C)C)CN1CCN(C)CC1 ZINC000186303085 396347341 /nfs/dbraw/zinc/34/73/41/396347341.db2.gz VXBZFVIWXWHIKM-OAHLLOKOSA-N 1 3 313.490 0.463 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000187932990 396377274 /nfs/dbraw/zinc/37/72/74/396377274.db2.gz QHRRAYGRSGABAB-LSDHHAIUSA-N 1 3 321.421 0.620 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000580772451 396498277 /nfs/dbraw/zinc/49/82/77/396498277.db2.gz ATINSKNGTRIXSL-DYEKYZERSA-N 1 3 318.425 0.243 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000371813598 396477722 /nfs/dbraw/zinc/47/77/22/396477722.db2.gz FHKZAFRRKWADIQ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000371813598 396477723 /nfs/dbraw/zinc/47/77/23/396477723.db2.gz FHKZAFRRKWADIQ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000372439092 396518024 /nfs/dbraw/zinc/51/80/24/396518024.db2.gz JTVMPLWKQWPZPA-BFYDXBDKSA-N 1 3 308.470 0.376 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000520205263 396528354 /nfs/dbraw/zinc/52/83/54/396528354.db2.gz MFXZHEWDTDWYFQ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000581666561 396573660 /nfs/dbraw/zinc/57/36/60/396573660.db2.gz NDYNFDMJUUNCQB-FMKPAKJESA-N 1 3 311.426 0.110 20 0 DCADHO C[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C(=O)NCC[NH+](C)C ZINC000560563273 396620335 /nfs/dbraw/zinc/62/03/35/396620335.db2.gz YSUOOMAMOYIFOB-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[N@H+](CC2CCC2)CC1 ZINC000560741023 396623557 /nfs/dbraw/zinc/62/35/57/396623557.db2.gz RPYLGFDGVTWPQJ-QGZVFWFLSA-N 1 3 320.481 0.711 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000560741023 396623560 /nfs/dbraw/zinc/62/35/60/396623560.db2.gz RPYLGFDGVTWPQJ-QGZVFWFLSA-N 1 3 320.481 0.711 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000374591329 396675577 /nfs/dbraw/zinc/67/55/77/396675577.db2.gz DJZOJCSVUVPKDG-XHSDSOJGSA-N 1 3 308.470 0.600 20 0 DCADHO COc1nccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000562752012 396678060 /nfs/dbraw/zinc/67/80/60/396678060.db2.gz QCRMJSFKXCROPF-UHFFFAOYSA-N 1 3 310.402 0.442 20 0 DCADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900225 396679436 /nfs/dbraw/zinc/67/94/36/396679436.db2.gz BPTQMPABGBWJFH-JSGCOSHPSA-N 1 3 310.442 0.932 20 0 DCADHO CC(C)[C@@H](CNC[C@H](O)C[NH+]1CCCC1)N1CCN(C)CC1 ZINC000629562564 396788065 /nfs/dbraw/zinc/78/80/65/396788065.db2.gz OJHPMDNWPORJME-DLBZAZTESA-N 1 3 312.502 0.305 20 0 DCADHO CC(C)[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)N1CCN(C)CC1 ZINC000629562564 396788070 /nfs/dbraw/zinc/78/80/70/396788070.db2.gz OJHPMDNWPORJME-DLBZAZTESA-N 1 3 312.502 0.305 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@@H](O)COCc1ccccc1 ZINC000309847761 396759043 /nfs/dbraw/zinc/75/90/43/396759043.db2.gz VKIDPHCBBMYKJL-QGZVFWFLSA-N 1 3 307.438 0.401 20 0 DCADHO N[C@@H](CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000375954173 396850340 /nfs/dbraw/zinc/85/03/40/396850340.db2.gz NNWHFXBLVHIJFJ-HOTGVXAUSA-N 1 3 302.422 0.583 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000317785977 396805643 /nfs/dbraw/zinc/80/56/43/396805643.db2.gz SIQAFSDRENSJOP-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO NCC(=O)N1CCC[C@@H](CNc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000629665667 396816452 /nfs/dbraw/zinc/81/64/52/396816452.db2.gz YICWXUFLZXLDGQ-ZDUSSCGKSA-N 1 3 318.421 0.778 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000332337892 396884213 /nfs/dbraw/zinc/88/42/13/396884213.db2.gz OGLSFUPFARYKAL-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO NC[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000564935204 396904643 /nfs/dbraw/zinc/90/46/43/396904643.db2.gz QRCVIEVDRVJIEV-ZBFHGGJFSA-N 1 3 318.421 0.633 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333847057 396933452 /nfs/dbraw/zinc/93/34/52/396933452.db2.gz WLIHGNBHBNBOFA-ZIAGYGMSSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333847057 396933460 /nfs/dbraw/zinc/93/34/60/396933460.db2.gz WLIHGNBHBNBOFA-ZIAGYGMSSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)N(C)C1CC1 ZINC000341984128 396984624 /nfs/dbraw/zinc/98/46/24/396984624.db2.gz KVHLBOUJEDZPCI-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1CC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625810686 397009744 /nfs/dbraw/zinc/00/97/44/397009744.db2.gz XJPRTYDJQODGEK-GFCCVEGCSA-N 1 3 306.414 0.498 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000625865446 397019006 /nfs/dbraw/zinc/01/90/06/397019006.db2.gz JRYKKLSANCMDFE-CYBMUJFWSA-N 1 3 306.414 0.851 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612444200 397056710 /nfs/dbraw/zinc/05/67/10/397056710.db2.gz KKMWNBBUVYZTAJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612444200 397056711 /nfs/dbraw/zinc/05/67/11/397056711.db2.gz KKMWNBBUVYZTAJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC000573108094 397135186 /nfs/dbraw/zinc/13/51/86/397135186.db2.gz BRYUEJIDOXAINJ-TUVASFSCSA-N 1 3 322.453 0.125 20 0 DCADHO Cn1cc(CN(CCC[NH3+])CC2CCCC2)c(=O)n(C)c1=O ZINC000352526130 397137643 /nfs/dbraw/zinc/13/76/43/397137643.db2.gz KMQNZMNIDNIISK-UHFFFAOYSA-N 1 3 308.426 0.425 20 0 DCADHO Cn1cc(C[N@H+](CCCN)CC2CCCC2)c(=O)n(C)c1=O ZINC000352526130 397137646 /nfs/dbraw/zinc/13/76/46/397137646.db2.gz KMQNZMNIDNIISK-UHFFFAOYSA-N 1 3 308.426 0.425 20 0 DCADHO Cn1cc(C[N@@H+](CCCN)CC2CCCC2)c(=O)n(C)c1=O ZINC000352526130 397137650 /nfs/dbraw/zinc/13/76/50/397137650.db2.gz KMQNZMNIDNIISK-UHFFFAOYSA-N 1 3 308.426 0.425 20 0 DCADHO CCN1CCN(CCCCNC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612867953 397152177 /nfs/dbraw/zinc/15/21/77/397152177.db2.gz JMUIRHZUIINLTG-INIZCTEOSA-N 1 3 311.474 0.455 20 0 DCADHO C[C@H](NC1CC1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000573443117 397167866 /nfs/dbraw/zinc/16/78/66/397167866.db2.gz VOVHIRBACRPKNJ-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000592964448 397306009 /nfs/dbraw/zinc/30/60/09/397306009.db2.gz GPRAJRONYDANNU-WCVJEAGWSA-N 1 3 306.454 0.079 20 0 DCADHO CCN1CCN(Cc2ccccc2C[NH2+]CCC(N)=O)CC1 ZINC000577500592 397336795 /nfs/dbraw/zinc/33/67/95/397336795.db2.gz KKRKCOTXXLOLIR-UHFFFAOYSA-N 1 3 304.438 0.789 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410434196 397358846 /nfs/dbraw/zinc/35/88/46/397358846.db2.gz NQMLCFZKQBHTSS-QGZVFWFLSA-N 1 3 322.453 0.095 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410434196 397358854 /nfs/dbraw/zinc/35/88/54/397358854.db2.gz NQMLCFZKQBHTSS-QGZVFWFLSA-N 1 3 322.453 0.095 20 0 DCADHO C[C@H](CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000577859176 397367037 /nfs/dbraw/zinc/36/70/37/397367037.db2.gz PACYIPMFLGYNQL-NCOADZHNSA-N 1 3 313.486 0.778 20 0 DCADHO C[C@H](C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CN1CCCC1 ZINC000577859176 397367039 /nfs/dbraw/zinc/36/70/39/397367039.db2.gz PACYIPMFLGYNQL-NCOADZHNSA-N 1 3 313.486 0.778 20 0 DCADHO CSC1(CNC(=O)N2CCC[C@@H]2C[NH3+])CCN(C)CC1 ZINC000418203027 397374711 /nfs/dbraw/zinc/37/47/11/397374711.db2.gz VAAPKHDQUIXIGO-GFCCVEGCSA-N 1 3 300.472 0.947 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000620933599 397323212 /nfs/dbraw/zinc/32/32/12/397323212.db2.gz UAZOIPXURBOGRO-QGZVFWFLSA-N 1 3 320.481 0.615 20 0 DCADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457449015 397426690 /nfs/dbraw/zinc/42/66/90/397426690.db2.gz XNDDFISGBYWDTH-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000369051737 397433153 /nfs/dbraw/zinc/43/31/53/397433153.db2.gz YQHHTTGURAPKOO-HRCADAONSA-N 1 3 322.453 0.729 20 0 DCADHO C[C@H](CNC(=O)NCCOCCN(C)C)C[NH+]1CCCC1 ZINC000471638322 397448617 /nfs/dbraw/zinc/44/86/17/397448617.db2.gz RRBSYLRYHGFKHD-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000487947938 397480642 /nfs/dbraw/zinc/48/06/42/397480642.db2.gz LSPZSWIKQMZRHJ-FXUDXRNXSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000487947938 397480650 /nfs/dbraw/zinc/48/06/50/397480650.db2.gz LSPZSWIKQMZRHJ-FXUDXRNXSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CCN1C(=O)/C=C\CN(C)C ZINC000491881086 397504764 /nfs/dbraw/zinc/50/47/64/397504764.db2.gz GCGHUJVGYTUEQK-YSBYMEBBSA-N 1 3 322.453 0.281 20 0 DCADHO C[C@H]1CN(C(=O)/C=C\CN(C)C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491881086 397504767 /nfs/dbraw/zinc/50/47/67/397504767.db2.gz GCGHUJVGYTUEQK-YSBYMEBBSA-N 1 3 322.453 0.281 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000579341253 397552332 /nfs/dbraw/zinc/55/23/32/397552332.db2.gz DYFRQPAUGWUZCH-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000579341253 397552334 /nfs/dbraw/zinc/55/23/34/397552334.db2.gz DYFRQPAUGWUZCH-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000579120768 397526061 /nfs/dbraw/zinc/52/60/61/397526061.db2.gz PWIHMUUOYXZOAI-KRWDZBQOSA-N 1 3 316.449 0.627 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000579130354 397528598 /nfs/dbraw/zinc/52/85/98/397528598.db2.gz OMLRMTQVVPINEK-KBPBESRZSA-N 1 3 312.458 0.323 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494696863 397532449 /nfs/dbraw/zinc/53/24/49/397532449.db2.gz ACXPJCXBYHKIIW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000579915383 397597737 /nfs/dbraw/zinc/59/77/37/397597737.db2.gz MMVMKOHSCKCJDD-UHFFFAOYSA-N 1 3 321.425 0.280 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606703251 397686773 /nfs/dbraw/zinc/68/67/73/397686773.db2.gz OQQHMDXXFLXWCC-AWEZNQCLSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H](NC(=O)NCC1(O)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000607246952 397700023 /nfs/dbraw/zinc/70/00/23/397700023.db2.gz XILAJVQKQPSFBD-CYBMUJFWSA-N 1 3 312.458 0.473 20 0 DCADHO CN(c1nccn(C)c1=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000608086205 397716357 /nfs/dbraw/zinc/71/63/57/397716357.db2.gz PNIHMBIQKQEZOP-CQSZACIVSA-N 1 3 305.426 0.385 20 0 DCADHO CN1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1=O ZINC000050798707 158012037 /nfs/dbraw/zinc/01/20/37/158012037.db2.gz HRGCCOYYRIHNTF-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(CC)CCC[NH2+]2)CC1 ZINC000134594078 158328474 /nfs/dbraw/zinc/32/84/74/158328474.db2.gz QVOZAYVHRLXTMY-QGZVFWFLSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]1COCCN1CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000192771977 287059933 /nfs/dbraw/zinc/05/99/33/287059933.db2.gz AXLTZAAYNTUIFG-INIZCTEOSA-N 1 3 312.502 0.665 20 0 DCADHO C[C@H]1COCCN1CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000192771977 287059934 /nfs/dbraw/zinc/05/99/34/287059934.db2.gz AXLTZAAYNTUIFG-INIZCTEOSA-N 1 3 312.502 0.665 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN(C)C)[C@@H](C)C1 ZINC000245639669 287071695 /nfs/dbraw/zinc/07/16/95/287071695.db2.gz ADPOXNWGMLIWFC-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN(C)C)[C@@H](C)C1 ZINC000245639669 287071696 /nfs/dbraw/zinc/07/16/96/287071696.db2.gz ADPOXNWGMLIWFC-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC1 ZINC000246684169 287086682 /nfs/dbraw/zinc/08/66/82/287086682.db2.gz WATICZPYUJALFV-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC1 ZINC000246684169 287086683 /nfs/dbraw/zinc/08/66/83/287086683.db2.gz WATICZPYUJALFV-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CCN(CC)CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000370739763 287225305 /nfs/dbraw/zinc/22/53/05/287225305.db2.gz PHAGFQCRKGLCFZ-UHFFFAOYSA-N 1 3 319.471 0.001 20 0 DCADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CC[NH2+]C1 ZINC000418394662 287247535 /nfs/dbraw/zinc/24/75/35/287247535.db2.gz YCNBEGIRLZWDSS-WBVHZDCISA-N 1 3 318.421 0.285 20 0 DCADHO COCC1(CNC(=O)N2CCC[C@@H](N(C)C)C2)CC[NH2+]CC1 ZINC000418636125 287251901 /nfs/dbraw/zinc/25/19/01/287251901.db2.gz GKBZHULEJNUPLT-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418953765 287257052 /nfs/dbraw/zinc/25/70/52/287257052.db2.gz VIFXMBQECUJVEB-ZFWWWQNUSA-N 1 3 318.421 0.183 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418956794 287258030 /nfs/dbraw/zinc/25/80/30/287258030.db2.gz ZILNYTWZKUWOPJ-BFHYXJOUSA-N 1 3 312.458 0.467 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419149580 287269704 /nfs/dbraw/zinc/26/97/04/287269704.db2.gz FESZGKYBIQIMGT-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419227557 287276090 /nfs/dbraw/zinc/27/60/90/287276090.db2.gz KVQSNSRGKBKDRK-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000419243457 287277401 /nfs/dbraw/zinc/27/74/01/287277401.db2.gz UGWZZGQYZSBIPN-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCCN1C ZINC000352450500 415181203 /nfs/dbraw/zinc/18/12/03/415181203.db2.gz LPZRSUJZIKUCLI-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCN1C ZINC000352450500 415181211 /nfs/dbraw/zinc/18/12/11/415181211.db2.gz LPZRSUJZIKUCLI-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCCN1C ZINC000352450500 415181218 /nfs/dbraw/zinc/18/12/18/415181218.db2.gz LPZRSUJZIKUCLI-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000422882445 287301294 /nfs/dbraw/zinc/30/12/94/287301294.db2.gz SGVOIDCVHKMZMB-MMPTUQATSA-N 1 3 304.394 0.957 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000342689297 415254888 /nfs/dbraw/zinc/25/48/88/415254888.db2.gz DPAZUTNWQMOIHT-CQSZACIVSA-N 1 3 313.442 0.895 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000342691401 415258127 /nfs/dbraw/zinc/25/81/27/415258127.db2.gz HPIFVKFAOQXMEM-CQSZACIVSA-N 1 3 307.394 0.645 20 0 DCADHO NC(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422890214 287301830 /nfs/dbraw/zinc/30/18/30/287301830.db2.gz ROCPAMQMYXTCJH-JJXSEGSLSA-N 1 3 308.470 0.837 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000342724768 415268080 /nfs/dbraw/zinc/26/80/80/415268080.db2.gz HHPXCXYFYZEXRH-QLFBSQMISA-N 1 3 322.453 0.045 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000332158229 415273609 /nfs/dbraw/zinc/27/36/09/415273609.db2.gz POKFQYFSTHRAAJ-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332158229 415273616 /nfs/dbraw/zinc/27/36/16/415273616.db2.gz POKFQYFSTHRAAJ-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332448685 415402488 /nfs/dbraw/zinc/40/24/88/415402488.db2.gz KZIRIAOIWLXRRJ-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000332448685 415402491 /nfs/dbraw/zinc/40/24/91/415402491.db2.gz KZIRIAOIWLXRRJ-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CN)CC[C@@H]21 ZINC000332582117 415416810 /nfs/dbraw/zinc/41/68/10/415416810.db2.gz GRZBBZSJOTZOJF-ILXRZTDVSA-N 1 3 322.453 0.269 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CN)CC[C@@H]21 ZINC000332582117 415416815 /nfs/dbraw/zinc/41/68/15/415416815.db2.gz GRZBBZSJOTZOJF-ILXRZTDVSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H]1CN(CC2CC[NH+](CC3(CO)COC3)CC2)C[C@H](C)O1 ZINC000084881727 415500767 /nfs/dbraw/zinc/50/07/67/415500767.db2.gz GNSASUXYYSDHEV-GASCZTMLSA-N 1 3 312.454 0.817 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000353433892 415540229 /nfs/dbraw/zinc/54/02/29/415540229.db2.gz VGUKFUABKXPURO-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000353455938 415551420 /nfs/dbraw/zinc/55/14/20/415551420.db2.gz YYQIGHXTXMLDAE-QWRGUYRKSA-N 1 3 311.348 0.835 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN(C)C1CC1)C[NH+]1CCCCC1 ZINC000343314136 415554862 /nfs/dbraw/zinc/55/48/62/415554862.db2.gz VAYSROVZXPVOJS-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333144868 415569254 /nfs/dbraw/zinc/56/92/54/415569254.db2.gz DMQOTJRONBBULE-FVQBIDKESA-N 1 3 321.469 0.158 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000343511736 415623219 /nfs/dbraw/zinc/62/32/19/415623219.db2.gz AVDSNQNZORQEHN-IRXDYDNUSA-N 1 3 320.481 0.711 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000343582146 415646323 /nfs/dbraw/zinc/64/63/23/415646323.db2.gz XQYYEIOISSENMN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000343582146 415646328 /nfs/dbraw/zinc/64/63/28/415646328.db2.gz XQYYEIOISSENMN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000353554542 415590481 /nfs/dbraw/zinc/59/04/81/415590481.db2.gz XFTGTSJEQREFQW-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000353554542 415590491 /nfs/dbraw/zinc/59/04/91/415590491.db2.gz XFTGTSJEQREFQW-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N(C)C1CC1 ZINC000333436097 415649980 /nfs/dbraw/zinc/64/99/80/415649980.db2.gz VIMQJDBFLHAAOY-ZFWWWQNUSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000333451991 415653901 /nfs/dbraw/zinc/65/39/01/415653901.db2.gz XQPXYAZWEXWZEA-SGMGOOAPSA-N 1 3 300.472 0.802 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCNC2=O)[C@@H](C)C1 ZINC000343689135 415683979 /nfs/dbraw/zinc/68/39/79/415683979.db2.gz LLNCNUNZOFXBHD-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCNC2=O)[C@@H](C)C1 ZINC000343689135 415683983 /nfs/dbraw/zinc/68/39/83/415683983.db2.gz LLNCNUNZOFXBHD-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333847046 415750018 /nfs/dbraw/zinc/75/00/18/415750018.db2.gz WLIHGNBHBNBOFA-KBPBESRZSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333847046 415750026 /nfs/dbraw/zinc/75/00/26/415750026.db2.gz WLIHGNBHBNBOFA-KBPBESRZSA-N 1 3 310.442 0.491 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)N(C)C1 ZINC000333889370 415758207 /nfs/dbraw/zinc/75/82/07/415758207.db2.gz XVWSCLGNROSCOP-DZKIICNBSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000121756215 415815841 /nfs/dbraw/zinc/81/58/41/415815841.db2.gz UZAOOEUXHZTEQT-ZFWWWQNUSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H](CNC(=O)NCCNc1ccncc1)C[NH+]1CCCC1 ZINC000356188478 415879558 /nfs/dbraw/zinc/87/95/58/415879558.db2.gz KGVQJTTTXYQTLV-AWEZNQCLSA-N 1 3 305.426 0.947 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000344497821 415929076 /nfs/dbraw/zinc/92/90/76/415929076.db2.gz RMBFMIHCKZRPIS-SJORKVTESA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000344497821 415929078 /nfs/dbraw/zinc/92/90/78/415929078.db2.gz RMBFMIHCKZRPIS-SJORKVTESA-N 1 3 322.497 0.861 20 0 DCADHO CN(C)CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000133404711 415946312 /nfs/dbraw/zinc/94/63/12/415946312.db2.gz MYJYGDPSAMPMQH-UHFFFAOYSA-N 1 3 308.426 0.988 20 0 DCADHO CN(C)CC[N@H+](C)CCCNC(=O)CN(C)[C@H]1CCSC1 ZINC000356534236 415946563 /nfs/dbraw/zinc/94/65/63/415946563.db2.gz WDLJJHVECAOIQV-AWEZNQCLSA-N 1 3 316.515 0.423 20 0 DCADHO CN(C)CC[N@@H+](C)CCCNC(=O)CN(C)[C@H]1CCSC1 ZINC000356534236 415946567 /nfs/dbraw/zinc/94/65/67/415946567.db2.gz WDLJJHVECAOIQV-AWEZNQCLSA-N 1 3 316.515 0.423 20 0 DCADHO CN(CCCNC(=O)CN(C)[C@H]1CCSC1)CC[NH+](C)C ZINC000356534236 415946570 /nfs/dbraw/zinc/94/65/70/415946570.db2.gz WDLJJHVECAOIQV-AWEZNQCLSA-N 1 3 316.515 0.423 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000337487980 415967647 /nfs/dbraw/zinc/96/76/47/415967647.db2.gz BDZXRZMFCKYZCZ-UHFFFAOYSA-N 1 3 313.442 0.720 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CCSC1 ZINC000337653186 415990363 /nfs/dbraw/zinc/99/03/63/415990363.db2.gz LPHPNUACLPYORW-ZIAGYGMSSA-N 1 3 318.487 0.036 20 0 DCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H]1CCCOC1 ZINC000356852399 415996652 /nfs/dbraw/zinc/99/66/52/415996652.db2.gz RMAYTTDYLRVRCH-IRXDYDNUSA-N 1 3 313.486 0.781 20 0 DCADHO COC[C@]1(CNC(=O)[C@@H](CN)c2ccc(F)cc2)CCC[NH2+]1 ZINC000357288082 416057053 /nfs/dbraw/zinc/05/70/53/416057053.db2.gz NPPXKQXWXLPXDR-GOEBONIOSA-N 1 3 309.385 0.753 20 0 DCADHO C[C@@H]1[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)CCCN1C ZINC000345239178 416065268 /nfs/dbraw/zinc/06/52/68/416065268.db2.gz NFMCNLSJWUIOJX-CHWSQXEVSA-N 1 3 308.430 1.049 20 0 DCADHO O=c1n2ccccc2nn1CCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357093652 416032786 /nfs/dbraw/zinc/03/27/86/416032786.db2.gz XBOGOEGRABWCRN-HNNXBMFYSA-N 1 3 315.421 0.818 20 0 DCADHO O=C(NC[C@H]1CCCN(CCc2cn[nH]c2)C1)[C@H]1CCC[NH2+]1 ZINC000319352522 416119336 /nfs/dbraw/zinc/11/93/36/416119336.db2.gz QXPCEIKKBDRTNH-HUUCEWRRSA-N 1 3 305.426 0.532 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])CN1CCN(C)CC1 ZINC000345687987 416133978 /nfs/dbraw/zinc/13/39/78/416133978.db2.gz HYMBCFTXEWDYTR-BFYDXBDKSA-N 1 3 310.486 0.894 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347999138 416228781 /nfs/dbraw/zinc/22/87/81/416228781.db2.gz GBRIBACDTVXSQM-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347999138 416228784 /nfs/dbraw/zinc/22/87/84/416228784.db2.gz GBRIBACDTVXSQM-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@H+](C)CCOC)C1(C)C ZINC000188092045 416261987 /nfs/dbraw/zinc/26/19/87/416261987.db2.gz MZUUFMOQDBOBAF-CJNGLKHVSA-N 1 3 315.458 0.603 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@@H+](C)CCOC)C1(C)C ZINC000188092045 416261991 /nfs/dbraw/zinc/26/19/91/416261991.db2.gz MZUUFMOQDBOBAF-CJNGLKHVSA-N 1 3 315.458 0.603 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000358681074 416266474 /nfs/dbraw/zinc/26/64/74/416266474.db2.gz PVPZZKJNBKOWLK-INIZCTEOSA-N 1 3 312.458 0.473 20 0 DCADHO CO[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000359061628 416304015 /nfs/dbraw/zinc/30/40/15/416304015.db2.gz QLHYWFJJBIUUQX-JKSUJKDBSA-N 1 3 324.469 0.168 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)C1CC1 ZINC000359302750 416320260 /nfs/dbraw/zinc/32/02/60/416320260.db2.gz FBNSNZUFZLMIHE-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)C1CC1 ZINC000359302750 416320263 /nfs/dbraw/zinc/32/02/63/416320263.db2.gz FBNSNZUFZLMIHE-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000358861492 416286728 /nfs/dbraw/zinc/28/67/28/416286728.db2.gz RYOXLQNAZUSZEQ-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC000359319780 416321827 /nfs/dbraw/zinc/32/18/27/416321827.db2.gz ITJZKUJCRSXVJY-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261910627 416335912 /nfs/dbraw/zinc/33/59/12/416335912.db2.gz TUEKZIICRCHSSE-LLVKDONJSA-N 1 3 310.364 0.281 20 0 DCADHO CN(C)CCOCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415956731 416358711 /nfs/dbraw/zinc/35/87/11/416358711.db2.gz IXKHALWUFYACIV-ZDUSSCGKSA-N 1 3 321.425 0.597 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415515004 416345765 /nfs/dbraw/zinc/34/57/65/416345765.db2.gz AGHXCSZWDWAIEL-UHFFFAOYSA-N 1 3 320.437 0.845 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000415793487 416354146 /nfs/dbraw/zinc/35/41/46/416354146.db2.gz UYEWSORBYWRGAA-CYBMUJFWSA-N 1 3 306.410 0.849 20 0 DCADHO CC[NH+](CC)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415953454 416357449 /nfs/dbraw/zinc/35/74/49/416357449.db2.gz MJECYSZAAKGJAT-UHFFFAOYSA-N 1 3 321.429 0.350 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415956537 416357841 /nfs/dbraw/zinc/35/78/41/416357841.db2.gz SBKMEKAYFUBGOP-UHFFFAOYSA-N 1 3 321.429 0.348 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415956537 416357842 /nfs/dbraw/zinc/35/78/42/416357842.db2.gz SBKMEKAYFUBGOP-UHFFFAOYSA-N 1 3 321.429 0.348 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419844567 416414223 /nfs/dbraw/zinc/41/42/23/416414223.db2.gz MAFAYCRSUGHKSF-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000360172788 416377355 /nfs/dbraw/zinc/37/73/55/416377355.db2.gz VISUSYAJCRBBFL-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000360172788 416377357 /nfs/dbraw/zinc/37/73/57/416377357.db2.gz VISUSYAJCRBBFL-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)[C@H](C[NH3+])C1 ZINC000417868237 416385019 /nfs/dbraw/zinc/38/50/19/416385019.db2.gz GJZIUAGQUXXLOS-FAAHXZRKSA-N 1 3 310.442 0.617 20 0 DCADHO C[NH2+]CCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418305612 416385975 /nfs/dbraw/zinc/38/59/75/416385975.db2.gz HZFIANZWALPZCY-QGZVFWFLSA-N 1 3 320.437 0.532 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1CCCCC1 ZINC000418831665 416390941 /nfs/dbraw/zinc/39/09/41/416390941.db2.gz JIZVEYLDFQEKJK-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H]1CN ZINC000418832165 416392068 /nfs/dbraw/zinc/39/20/68/416392068.db2.gz LPMUQRFYNSQKOE-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418933655 416394325 /nfs/dbraw/zinc/39/43/25/416394325.db2.gz ISPVOSONUHBOAT-UKRRQHHQSA-N 1 3 320.437 0.649 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419117427 416396530 /nfs/dbraw/zinc/39/65/30/416396530.db2.gz HEBGGBZRHDFVCL-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419413210 416400865 /nfs/dbraw/zinc/40/08/65/416400865.db2.gz DDRXCXDLKPCMFM-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000419415628 416401597 /nfs/dbraw/zinc/40/15/97/416401597.db2.gz VMJASIIFVQMJIO-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419528540 416403555 /nfs/dbraw/zinc/40/35/55/416403555.db2.gz WILKQFMLJIKNCV-MGPQQGTHSA-N 1 3 322.453 0.091 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000419528521 416403780 /nfs/dbraw/zinc/40/37/80/416403780.db2.gz WFGJXWBHZFZBMS-OAHLLOKOSA-N 1 3 318.421 0.403 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C1CC1 ZINC000419528521 416403782 /nfs/dbraw/zinc/40/37/82/416403782.db2.gz WFGJXWBHZFZBMS-OAHLLOKOSA-N 1 3 318.421 0.403 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000419764791 416409453 /nfs/dbraw/zinc/40/94/53/416409453.db2.gz PRBZXEWKJRFXMV-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000419764791 416409455 /nfs/dbraw/zinc/40/94/55/416409455.db2.gz PRBZXEWKJRFXMV-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419763459 416409833 /nfs/dbraw/zinc/40/98/33/416409833.db2.gz NQCXKNIWFACUBF-HNNXBMFYSA-N 1 3 320.437 0.651 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419763459 416409834 /nfs/dbraw/zinc/40/98/34/416409834.db2.gz NQCXKNIWFACUBF-HNNXBMFYSA-N 1 3 320.437 0.651 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423200754 416477162 /nfs/dbraw/zinc/47/71/62/416477162.db2.gz NBLIXJZHHKYWPP-UONOGXRCSA-N 1 3 308.426 0.023 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)CCC1 ZINC000422326958 416426193 /nfs/dbraw/zinc/42/61/93/416426193.db2.gz CDHYFLGBILMETA-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCC1 ZINC000422326958 416426195 /nfs/dbraw/zinc/42/61/95/416426195.db2.gz CDHYFLGBILMETA-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)CCC1 ZINC000422337495 416427481 /nfs/dbraw/zinc/42/74/81/416427481.db2.gz UKNPKYJHNWQEKB-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCN1CCCOCC1 ZINC000361328267 416429433 /nfs/dbraw/zinc/42/94/33/416429433.db2.gz JPOHMVNSWYUEQM-BRWVUGGUSA-N 1 3 311.470 0.892 20 0 DCADHO O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)CN1CCCCC1 ZINC000422975795 416455599 /nfs/dbraw/zinc/45/55/99/416455599.db2.gz UEAPRXUNMJWKKI-VQHPVUNQSA-N 1 3 311.470 0.580 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCCNCC1)C(C)C ZINC000423603922 416526905 /nfs/dbraw/zinc/52/69/05/416526905.db2.gz FUWGUISPOSUHTR-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423643317 416534182 /nfs/dbraw/zinc/53/41/82/416534182.db2.gz IVHIQLYHTABPFQ-ZIAGYGMSSA-N 1 3 310.442 0.269 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423643317 416534187 /nfs/dbraw/zinc/53/41/87/416534187.db2.gz IVHIQLYHTABPFQ-ZIAGYGMSSA-N 1 3 310.442 0.269 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000423722987 416550591 /nfs/dbraw/zinc/55/05/91/416550591.db2.gz KRKOLSMCSIKNIH-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423742921 416556787 /nfs/dbraw/zinc/55/67/87/416556787.db2.gz LSYPYBPOKNSLSO-OAGGEKHMSA-N 1 3 310.486 0.988 20 0 DCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423742921 416556789 /nfs/dbraw/zinc/55/67/89/416556789.db2.gz LSYPYBPOKNSLSO-OAGGEKHMSA-N 1 3 310.486 0.988 20 0 DCADHO COC[C@@]1(C(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]C1 ZINC000423347323 416495380 /nfs/dbraw/zinc/49/53/80/416495380.db2.gz RCDVPNABBAPMDL-KGLIPLIRSA-N 1 3 301.456 0.166 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423366992 416498121 /nfs/dbraw/zinc/49/81/21/416498121.db2.gz MESDLWRVYPUIKX-ZDUSSCGKSA-N 1 3 322.409 0.120 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423373767 416498885 /nfs/dbraw/zinc/49/88/85/416498885.db2.gz SFJHXCLKSQVTLM-UHFFFAOYSA-N 1 3 312.439 0.055 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000423394235 416502644 /nfs/dbraw/zinc/50/26/44/416502644.db2.gz RSWOVIWZBYKVBH-UHFFFAOYSA-N 1 3 318.421 0.204 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000584219570 416508435 /nfs/dbraw/zinc/50/84/35/416508435.db2.gz GWBHVXMONPXUFH-UHFFFAOYSA-N 1 3 318.421 0.681 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(CCN(C)C)C(C)C ZINC000423500228 416517335 /nfs/dbraw/zinc/51/73/35/416517335.db2.gz IJULEBBZYOULBH-AWEZNQCLSA-N 1 3 314.474 0.617 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000539902989 416585495 /nfs/dbraw/zinc/58/54/95/416585495.db2.gz AQEZIGMXXLTFDY-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424143546 416616703 /nfs/dbraw/zinc/61/67/03/416616703.db2.gz KAZQLYZLKNMEOO-ZIAGYGMSSA-N 1 3 320.441 0.759 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424161754 416620555 /nfs/dbraw/zinc/62/05/55/416620555.db2.gz WBXOVANASFOCCL-CHWSQXEVSA-N 1 3 306.414 0.369 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CN1C1CC1 ZINC000424160855 416620625 /nfs/dbraw/zinc/62/06/25/416620625.db2.gz XLOHBXKTWABRJC-MBNYWOFBSA-N 1 3 318.425 0.558 20 0 DCADHO Cn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CC12CC[NH2+]CC2 ZINC000424158406 416620841 /nfs/dbraw/zinc/62/08/41/416620841.db2.gz OPINTFAEFWPELY-AGIUHOORSA-N 1 3 303.410 0.238 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C[C@H]2N)cn1 ZINC000424222572 416629277 /nfs/dbraw/zinc/62/92/77/416629277.db2.gz FJAHLIIDVSLEQI-DSJMHWKBSA-N 1 3 305.426 0.581 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424455543 416648599 /nfs/dbraw/zinc/64/85/99/416648599.db2.gz STMIPRBABZBZQY-KWCYVHTRSA-N 1 3 308.430 0.196 20 0 DCADHO CS[C@H]1CC[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000425341778 416696411 /nfs/dbraw/zinc/69/64/11/416696411.db2.gz GGBRVKMHYPXLBD-GJZGRUSLSA-N 1 3 301.500 0.860 20 0 DCADHO CS[C@@H]1CC[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000425341780 416697987 /nfs/dbraw/zinc/69/79/87/416697987.db2.gz GGBRVKMHYPXLBD-LSDHHAIUSA-N 1 3 301.500 0.860 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H](O)C3CC3)CC2)CC1 ZINC000368981053 416710970 /nfs/dbraw/zinc/71/09/70/416710970.db2.gz OPXUHLNPDIJKGT-MRXNPFEDSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000557139409 416725604 /nfs/dbraw/zinc/72/56/04/416725604.db2.gz FNUZOCKAIRUJGP-CABCVRRESA-N 1 3 311.474 0.391 20 0 DCADHO Cn1cc(N2CCC[C@@H](N3CCC[C@@H](CC[NH3+])C3)C2=O)cn1 ZINC000443073175 416731490 /nfs/dbraw/zinc/73/14/90/416731490.db2.gz OWNORHVRLDGNRY-DZGCQCFKSA-N 1 3 305.426 0.976 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000425916401 416735630 /nfs/dbraw/zinc/73/56/30/416735630.db2.gz BDDABCCTERDYMY-ZFWWWQNUSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000425916401 416735636 /nfs/dbraw/zinc/73/56/36/416735636.db2.gz BDDABCCTERDYMY-ZFWWWQNUSA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+]C[C@]12CCC[C@H]1CN(S(=O)(=O)CCCN1CCCC1)C2 ZINC000631947494 416823706 /nfs/dbraw/zinc/82/37/06/416823706.db2.gz FQWYJQVLIXFTPF-GJZGRUSLSA-N 1 3 315.483 0.863 20 0 DCADHO CN(CCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000369396159 416767393 /nfs/dbraw/zinc/76/73/93/416767393.db2.gz UXLUXDBWJIHPRS-INIZCTEOSA-N 1 3 323.485 0.502 20 0 DCADHO CN(CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000369396159 416767401 /nfs/dbraw/zinc/76/74/01/416767401.db2.gz UXLUXDBWJIHPRS-INIZCTEOSA-N 1 3 323.485 0.502 20 0 DCADHO CCN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000426564344 416773544 /nfs/dbraw/zinc/77/35/44/416773544.db2.gz DDMMANMRRORRSG-LSDHHAIUSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444173135 416813090 /nfs/dbraw/zinc/81/30/90/416813090.db2.gz TVHAFGPUQCQBCC-KEYYUXOJSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCN3)nc2)CC1 ZINC000444266345 416825959 /nfs/dbraw/zinc/82/59/59/416825959.db2.gz NTSHCZCKNHICED-CQSZACIVSA-N 1 3 303.410 0.912 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565240069 416955821 /nfs/dbraw/zinc/95/58/21/416955821.db2.gz QPDMVPWFNHHXCQ-CABCVRRESA-N 1 3 316.405 0.132 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000371249605 416908896 /nfs/dbraw/zinc/90/88/96/416908896.db2.gz LTQAIBJGEWXGFE-JKSUJKDBSA-N 1 3 320.481 0.615 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428980022 416938584 /nfs/dbraw/zinc/93/85/84/416938584.db2.gz MZOYCTAMWLSNAD-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CN(C2CCC2)CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000429383262 416969737 /nfs/dbraw/zinc/96/97/37/416969737.db2.gz GYTZQNWMKNKTJY-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H]1CN(C2CCC2)CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000429383262 416969747 /nfs/dbraw/zinc/96/97/47/416969747.db2.gz GYTZQNWMKNKTJY-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000565665946 417003216 /nfs/dbraw/zinc/00/32/16/417003216.db2.gz NRVZAKRCBKQNFF-CQSZACIVSA-N 1 3 324.469 0.422 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000565665946 417003224 /nfs/dbraw/zinc/00/32/24/417003224.db2.gz NRVZAKRCBKQNFF-CQSZACIVSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccnn1C ZINC000447528685 417007306 /nfs/dbraw/zinc/00/73/06/417007306.db2.gz JMZMWABQSICLCF-OAHLLOKOSA-N 1 3 309.458 0.461 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641825400 417009084 /nfs/dbraw/zinc/00/90/84/417009084.db2.gz UGMRSJQRUAUINH-AWEZNQCLSA-N 1 3 312.458 0.517 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000642439342 417051482 /nfs/dbraw/zinc/05/14/82/417051482.db2.gz BUMZIOZRRLWUIS-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO CC(C)N1CCC[C@H](N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430659671 417055817 /nfs/dbraw/zinc/05/58/17/417055817.db2.gz BNHGREJVRQXSKE-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)COC2CNC2)[C@@H](C)C1 ZINC000430704333 417061625 /nfs/dbraw/zinc/06/16/25/417061625.db2.gz IAEUARSRSUFHJX-DZGCQCFKSA-N 1 3 313.442 0.228 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)COC2CNC2)[C@@H](C)C1 ZINC000430704333 417061630 /nfs/dbraw/zinc/06/16/30/417061630.db2.gz IAEUARSRSUFHJX-DZGCQCFKSA-N 1 3 313.442 0.228 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000448251667 417065284 /nfs/dbraw/zinc/06/52/84/417065284.db2.gz HNLSFIFXIQNZJA-CZUORRHYSA-N 1 3 314.474 0.719 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000448251665 417065546 /nfs/dbraw/zinc/06/55/46/417065546.db2.gz HNLSFIFXIQNZJA-BBRMVZONSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(CC[NH3+])CC1 ZINC000568056910 417076096 /nfs/dbraw/zinc/07/60/96/417076096.db2.gz GZHJAJXDUUOUIZ-GXTWGEPZSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000642724485 417079453 /nfs/dbraw/zinc/07/94/53/417079453.db2.gz QSWIUYNIGPVUGW-NFAWXSAZSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CCN1 ZINC000642718477 417079501 /nfs/dbraw/zinc/07/95/01/417079501.db2.gz CUQIDBBBEXXDOX-BPLDGKMQSA-N 1 3 322.453 0.042 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CCN1 ZINC000642718477 417079502 /nfs/dbraw/zinc/07/95/02/417079502.db2.gz CUQIDBBBEXXDOX-BPLDGKMQSA-N 1 3 322.453 0.042 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430966050 417092697 /nfs/dbraw/zinc/09/26/97/417092697.db2.gz NQOUBJUGLATDNN-OUCADQQQSA-N 1 3 310.442 0.158 20 0 DCADHO CN(CCC(=O)NC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC000430632250 287348444 /nfs/dbraw/zinc/34/84/44/287348444.db2.gz XNLCQPHMMHZYEV-UHFFFAOYSA-N 1 3 310.320 0.448 20 0 DCADHO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1CCNCC1 ZINC000430632250 287348446 /nfs/dbraw/zinc/34/84/46/287348446.db2.gz XNLCQPHMMHZYEV-UHFFFAOYSA-N 1 3 310.320 0.448 20 0 DCADHO C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1CCNCC1 ZINC000430632250 287348447 /nfs/dbraw/zinc/34/84/47/287348447.db2.gz XNLCQPHMMHZYEV-UHFFFAOYSA-N 1 3 310.320 0.448 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642809787 417106066 /nfs/dbraw/zinc/10/60/66/417106066.db2.gz TWQYYYNWIYKCQG-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642809780 417108006 /nfs/dbraw/zinc/10/80/06/417108006.db2.gz SRZVNWXMFZHMCR-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642903449 417115777 /nfs/dbraw/zinc/11/57/77/417115777.db2.gz JDZHTYMQXJYXFF-ZNMIVQPWSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000642911563 417120938 /nfs/dbraw/zinc/12/09/38/417120938.db2.gz FXLOIRVDYZOADC-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000430714651 287349699 /nfs/dbraw/zinc/34/96/99/287349699.db2.gz PAAVNAKHMDWWES-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000642985921 417138497 /nfs/dbraw/zinc/13/84/97/417138497.db2.gz PVMPVGNVLKLSHD-KBXIAJHMSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000642983382 417139355 /nfs/dbraw/zinc/13/93/55/417139355.db2.gz APVWROABWKFGTM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000642989321 417141638 /nfs/dbraw/zinc/14/16/38/417141638.db2.gz PHSMTNGMWBLDRF-APIJFGDWSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](NC1CC1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000449521213 417148023 /nfs/dbraw/zinc/14/80/23/417148023.db2.gz RDEMHVJVLISJKI-ONGXEEELSA-N 1 3 308.348 0.079 20 0 DCADHO CCN1CCC[C@@H](NC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000626945966 417183875 /nfs/dbraw/zinc/18/38/75/417183875.db2.gz JWOQGDRFDDTLDX-TZMCWYRMSA-N 1 3 321.429 0.096 20 0 DCADHO CN(CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)CC(C)(C)C ZINC000637820262 417195559 /nfs/dbraw/zinc/19/55/59/417195559.db2.gz AYRFMUMCEWGSOM-CYBMUJFWSA-N 1 3 312.458 0.278 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000637834206 417202728 /nfs/dbraw/zinc/20/27/28/417202728.db2.gz AKBFCZMCHXNGEW-HOTGVXAUSA-N 1 3 304.438 0.514 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859750 417209096 /nfs/dbraw/zinc/20/90/96/417209096.db2.gz OFXGGOBGQLQWQG-IKGGRYGDSA-N 1 3 316.449 0.799 20 0 DCADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856987 417209694 /nfs/dbraw/zinc/20/96/94/417209694.db2.gz RQRKSDLVMDIJOD-HZPDHXFCSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000643451105 417210390 /nfs/dbraw/zinc/21/03/90/417210390.db2.gz FMWOWKBCEYTGCK-CVEARBPZSA-N 1 3 318.469 0.576 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643468720 417217365 /nfs/dbraw/zinc/21/73/65/417217365.db2.gz KWYAAUMLYLUCBD-RBSFLKMASA-N 1 3 315.483 0.922 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433401432 417266051 /nfs/dbraw/zinc/26/60/51/417266051.db2.gz SCYLYCDMFHGXNJ-MRVWCRGKSA-N 1 3 318.425 0.415 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000627134991 417246495 /nfs/dbraw/zinc/24/64/95/417246495.db2.gz KURMGLWOSZKHAU-UONOGXRCSA-N 1 3 310.442 0.478 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569458147 417253624 /nfs/dbraw/zinc/25/36/24/417253624.db2.gz OPVJUZZLQBHHAQ-XQLPTFJDSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000415263360 417350385 /nfs/dbraw/zinc/35/03/85/417350385.db2.gz AQNKEMIKJPCRQW-ZDUSSCGKSA-N 1 3 304.394 0.636 20 0 DCADHO CC(C)CC[C@H](N)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000638139415 417353556 /nfs/dbraw/zinc/35/35/56/417353556.db2.gz DIVBDUSZFOJZGP-HOTGVXAUSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)CC[C@H](N)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000638139415 417353560 /nfs/dbraw/zinc/35/35/60/417353560.db2.gz DIVBDUSZFOJZGP-HOTGVXAUSA-N 1 3 310.486 0.988 20 0 DCADHO CN(C)CCn1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000638166096 417358464 /nfs/dbraw/zinc/35/84/64/417358464.db2.gz UUVNFNFKLQWXOC-NWANDNLSSA-N 1 3 305.426 0.644 20 0 DCADHO C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC000569867044 417305570 /nfs/dbraw/zinc/30/55/70/417305570.db2.gz CAYDYCYVQGOJSW-MGPQQGTHSA-N 1 3 308.426 0.021 20 0 DCADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NC1CCN(C3CC3)CC1)C2 ZINC000621839583 417316295 /nfs/dbraw/zinc/31/62/95/417316295.db2.gz VBBNRNHUMFKZHN-SJKOYZFVSA-N 1 3 320.437 0.069 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC[N@H+](C)C1CC1 ZINC000638083484 417317205 /nfs/dbraw/zinc/31/72/05/417317205.db2.gz MUDQKRZDMGQMTL-INIZCTEOSA-N 1 3 304.438 0.656 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC[N@@H+](C)C1CC1 ZINC000638083484 417317211 /nfs/dbraw/zinc/31/72/11/417317211.db2.gz MUDQKRZDMGQMTL-INIZCTEOSA-N 1 3 304.438 0.656 20 0 DCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)CN3CCNCC3)C2)CC1 ZINC000638084315 417318906 /nfs/dbraw/zinc/31/89/06/417318906.db2.gz DVCTUKBMZANGSC-QGZVFWFLSA-N 1 3 322.497 0.862 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638099947 417327780 /nfs/dbraw/zinc/32/77/80/417327780.db2.gz WPNFFQUNAFFBNA-CQSZACIVSA-N 1 3 308.426 0.047 20 0 DCADHO Cc1ccc(NC(=O)N(CC[NH3+])CCO)c(OCCN(C)C)c1 ZINC000415201688 417340186 /nfs/dbraw/zinc/34/01/86/417340186.db2.gz GSOSDCSFNKPJST-UHFFFAOYSA-N 1 3 324.425 0.720 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000415220074 417344228 /nfs/dbraw/zinc/34/42/28/417344228.db2.gz UIAQZYXOMKGPLU-STQMWFEESA-N 1 3 308.430 1.084 20 0 DCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000638129226 417345272 /nfs/dbraw/zinc/34/52/72/417345272.db2.gz XEBKBNQRWDATBA-QCEMKRCNSA-N 1 3 303.406 0.882 20 0 DCADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC[C@@H]1CN1CCCCC1 ZINC000633083466 417348023 /nfs/dbraw/zinc/34/80/23/417348023.db2.gz VJXRDCCLCOPTMA-ZNMIVQPWSA-N 1 3 320.437 0.036 20 0 DCADHO CN(C)[C@]1(CNC(=O)NCC[C@H]2CC[NH2+]C2)CCSC1 ZINC000571184336 417432224 /nfs/dbraw/zinc/43/22/24/417432224.db2.gz QEQLBJVISCMFHF-OCCSQVGLSA-N 1 3 300.472 0.723 20 0 DCADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000570815273 417395774 /nfs/dbraw/zinc/39/57/74/417395774.db2.gz KTBKSGCJLBUASO-OAHLLOKOSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000570815273 417395780 /nfs/dbraw/zinc/39/57/80/417395780.db2.gz KTBKSGCJLBUASO-OAHLLOKOSA-N 1 3 324.469 0.881 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638262540 417396009 /nfs/dbraw/zinc/39/60/09/417396009.db2.gz MSKSQZWNTZIINV-HOTGVXAUSA-N 1 3 318.465 0.950 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1(C)C ZINC000571043714 417418221 /nfs/dbraw/zinc/41/82/21/417418221.db2.gz AWCSYTWLWHGQBP-JJRVBVJISA-N 1 3 324.469 0.025 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415320755 417364731 /nfs/dbraw/zinc/36/47/31/417364731.db2.gz WJZHTUJQPYVQTQ-CQSZACIVSA-N 1 3 318.421 0.863 20 0 DCADHO COC[C@]1(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCC[NH2+]1 ZINC000570549933 417366693 /nfs/dbraw/zinc/36/66/93/417366693.db2.gz IYTDFAWQAPDQSY-IVMMDQJWSA-N 1 3 310.442 0.537 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638198797 417373539 /nfs/dbraw/zinc/37/35/39/417373539.db2.gz FMFVQZVDXNLYBT-OAGGEKHMSA-N 1 3 304.438 0.832 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638221810 417379462 /nfs/dbraw/zinc/37/94/62/417379462.db2.gz ZSTGYUMWCSLUDW-VXGBXAGGSA-N 1 3 324.391 0.702 20 0 DCADHO CO[C@H](CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCOC1 ZINC000638571647 417491021 /nfs/dbraw/zinc/49/10/21/417491021.db2.gz OCARPOCAZRQGNY-RBSFLKMASA-N 1 3 313.442 0.215 20 0 DCADHO CO[C@H](CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCOC1 ZINC000638571647 417491025 /nfs/dbraw/zinc/49/10/25/417491025.db2.gz OCARPOCAZRQGNY-RBSFLKMASA-N 1 3 313.442 0.215 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000571269766 417438000 /nfs/dbraw/zinc/43/80/00/417438000.db2.gz XONHATXZTMKUTE-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1cc(NC(=O)CC[NH2+]C[C@H](O)CN2CCC(C)CC2)no1 ZINC000571642684 417449889 /nfs/dbraw/zinc/44/98/89/417449889.db2.gz QXJZPJHASRGCDO-AWEZNQCLSA-N 1 3 324.425 0.994 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCCOC[C@@H]2CCOC2)CC1 ZINC000638522748 417480747 /nfs/dbraw/zinc/48/07/47/417480747.db2.gz VURPBFIDHYFTBN-CQSZACIVSA-N 1 3 300.443 0.864 20 0 DCADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000576089853 417578515 /nfs/dbraw/zinc/57/85/15/417578515.db2.gz WFBOEIJIYCVRKQ-OAHLLOKOSA-N 1 3 316.405 0.781 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000576256659 417594222 /nfs/dbraw/zinc/59/42/22/417594222.db2.gz NUVCRAIERFYYAT-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(COC1CC[NH2+]CC1)Nc1cc(N2CCNCC2)ccn1 ZINC000638986050 417599485 /nfs/dbraw/zinc/59/94/85/417599485.db2.gz SQKPZDSJAZMKSC-UHFFFAOYSA-N 1 3 319.409 0.198 20 0 DCADHO C[C@H]1C[C@@H](Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@@H+]1C ZINC000639042486 417609484 /nfs/dbraw/zinc/60/94/84/417609484.db2.gz FVNOMWDGRFVGJT-KBPBESRZSA-N 1 3 322.457 0.456 20 0 DCADHO C[C@H]1C[C@@H](Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@H+]1C ZINC000639042486 417609487 /nfs/dbraw/zinc/60/94/87/417609487.db2.gz FVNOMWDGRFVGJT-KBPBESRZSA-N 1 3 322.457 0.456 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000644527186 417614497 /nfs/dbraw/zinc/61/44/97/417614497.db2.gz SYVIYGKPAZYHQI-SFHVURJKSA-N 1 3 321.465 0.921 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000644527186 417614503 /nfs/dbraw/zinc/61/45/03/417614503.db2.gz SYVIYGKPAZYHQI-SFHVURJKSA-N 1 3 321.465 0.921 20 0 DCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638849082 417568301 /nfs/dbraw/zinc/56/83/01/417568301.db2.gz CAFSIKHCTNTPLP-BSWAZPDLSA-N 1 3 317.433 0.987 20 0 DCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638849082 417568305 /nfs/dbraw/zinc/56/83/05/417568305.db2.gz CAFSIKHCTNTPLP-BSWAZPDLSA-N 1 3 317.433 0.987 20 0 DCADHO COC1CCN(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000530351656 417569983 /nfs/dbraw/zinc/56/99/83/417569983.db2.gz FJBWILKOXFPDQE-UHFFFAOYSA-N 1 3 300.447 0.642 20 0 DCADHO C[C@@H](Cc1cnccn1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000639204536 417640016 /nfs/dbraw/zinc/64/00/16/417640016.db2.gz BXCIOTBFIRPSQE-HNNXBMFYSA-N 1 3 319.453 0.989 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000635581813 417710703 /nfs/dbraw/zinc/71/07/03/417710703.db2.gz FJWWPQDJWIWZHL-INIZCTEOSA-N 1 3 309.454 0.899 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000635581813 417710708 /nfs/dbraw/zinc/71/07/08/417710708.db2.gz FJWWPQDJWIWZHL-INIZCTEOSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000458091155 417722094 /nfs/dbraw/zinc/72/20/94/417722094.db2.gz MVEDLFSZUUNOBE-ZIAGYGMSSA-N 1 3 300.447 0.473 20 0 DCADHO CCCN(C(=O)NCCOCC[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000645464877 417743814 /nfs/dbraw/zinc/74/38/14/417743814.db2.gz AAQQSEHJDONIMM-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO Cc1c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662619564 417823129 /nfs/dbraw/zinc/82/31/29/417823129.db2.gz MMZIWLNYZONOLB-QWHCGFSZSA-N 1 3 320.441 0.724 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000662621494 417825870 /nfs/dbraw/zinc/82/58/70/417825870.db2.gz IBNCUOFCKXTZLF-STQMWFEESA-N 1 3 320.441 0.805 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H](CN)c1ccccc1 ZINC000662636616 417829904 /nfs/dbraw/zinc/82/99/04/417829904.db2.gz ZWPYHXDNGWZIBQ-MRXNPFEDSA-N 1 3 306.454 0.729 20 0 DCADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662572698 417810998 /nfs/dbraw/zinc/81/09/98/417810998.db2.gz AWPAYDBDGRUHMK-ZFWWWQNUSA-N 1 3 322.457 0.911 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652154873 417854177 /nfs/dbraw/zinc/85/41/77/417854177.db2.gz QLCGHTUEVJNPGU-QLFBSQMISA-N 1 3 310.442 0.476 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000662692722 417855900 /nfs/dbraw/zinc/85/59/00/417855900.db2.gz GBABONDJZKZVNX-CYBMUJFWSA-N 1 3 308.430 0.477 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)[C@H]3C[C@H]([NH3+])C3)ccc2oc1=O ZINC000662701287 417858855 /nfs/dbraw/zinc/85/88/55/417858855.db2.gz NVAUPQOCNCCULI-XYPYZODXSA-N 1 3 318.377 0.832 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000662703476 417860137 /nfs/dbraw/zinc/86/01/37/417860137.db2.gz KHAQPTQYJMAGCY-OLZOCXBDSA-N 1 3 306.414 0.417 20 0 DCADHO CCN(CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CC1 ZINC000662709611 417863040 /nfs/dbraw/zinc/86/30/40/417863040.db2.gz CNQPRLFAGGPZHL-AWEZNQCLSA-N 1 3 320.441 0.807 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662707086 417864694 /nfs/dbraw/zinc/86/46/94/417864694.db2.gz BWSXFVWPJDOVPN-INMHGKMJSA-N 1 3 307.438 0.746 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C[C@H]([NH3+])Cc2ccccc2)n1 ZINC000662750840 417888187 /nfs/dbraw/zinc/88/81/87/417888187.db2.gz UFYJRAVFLCQOHN-GFCCVEGCSA-N 1 3 315.377 0.217 20 0 DCADHO C[C@H](CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)CS(C)(=O)=O ZINC000652348991 417888276 /nfs/dbraw/zinc/88/82/76/417888276.db2.gz YCCWTNTXDIJLSV-LXTVHRRPSA-N 1 3 318.483 0.885 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CC(=O)N3CCOCC3)C2)C1 ZINC000652345853 417889338 /nfs/dbraw/zinc/88/93/38/417889338.db2.gz NSENVJVDQMGUJW-RRFJBIMHSA-N 1 3 311.426 0.064 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662757000 417892717 /nfs/dbraw/zinc/89/27/17/417892717.db2.gz JOBRWMLXLNXJTB-CQSZACIVSA-N 1 3 308.470 0.790 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)C1 ZINC000646002903 417846477 /nfs/dbraw/zinc/84/64/77/417846477.db2.gz JBMVBNJWWNHAIG-ZOBUZTSGSA-N 1 3 306.454 0.224 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000652612244 417931584 /nfs/dbraw/zinc/93/15/84/417931584.db2.gz MOSABFWLAZTBQQ-OCCSQVGLSA-N 1 3 306.414 0.660 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662876774 417935758 /nfs/dbraw/zinc/93/57/58/417935758.db2.gz BMVGBMAMJQFUPQ-BBRMVZONSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662876774 417935763 /nfs/dbraw/zinc/93/57/63/417935763.db2.gz BMVGBMAMJQFUPQ-BBRMVZONSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652675525 417940795 /nfs/dbraw/zinc/94/07/95/417940795.db2.gz ZDRMEPDNXOHZIJ-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652701964 417948661 /nfs/dbraw/zinc/94/86/61/417948661.db2.gz MMBRBWDBBZXMOV-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000652704323 417951168 /nfs/dbraw/zinc/95/11/68/417951168.db2.gz JFZZSMUHGUDODW-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662921138 417952588 /nfs/dbraw/zinc/95/25/88/417952588.db2.gz DBMZFDNVUURUEC-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CN1C[C@@H]2CCN(C(=O)c3ccnc(OCC[NH+](C)C)c3)[C@@H]2C1 ZINC000646923550 417954140 /nfs/dbraw/zinc/95/41/40/417954140.db2.gz XJBJYAQIAUUKCZ-LSDHHAIUSA-N 1 3 318.421 0.798 20 0 DCADHO CC[C@H](N)c1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641048050 417964661 /nfs/dbraw/zinc/96/46/61/417964661.db2.gz USVFXNXXLNXEAM-ZDUSSCGKSA-N 1 3 308.430 0.677 20 0 DCADHO Nc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647509526 418016475 /nfs/dbraw/zinc/01/64/75/418016475.db2.gz LLRIWPYIISCBKV-HIFRSBDPSA-N 1 3 317.437 0.574 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000653047832 418016570 /nfs/dbraw/zinc/01/65/70/418016570.db2.gz YJTIXWVLWTWUQJ-CYBMUJFWSA-N 1 3 303.410 0.819 20 0 DCADHO CC(C)[C@H]([NH3+])CCNCc1cnc(N2CCN(C)CC2)nc1 ZINC000663497460 418026539 /nfs/dbraw/zinc/02/65/39/418026539.db2.gz AKUDKAQXBQZOSU-OAHLLOKOSA-N 1 3 306.458 0.691 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653115172 418029418 /nfs/dbraw/zinc/02/94/18/418029418.db2.gz FXPLRBGDWNDRPA-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C[C@H]2CNCCO2)C1 ZINC000653267734 418049520 /nfs/dbraw/zinc/04/95/20/418049520.db2.gz VKPXLSOSIVAZJO-BARDWOONSA-N 1 3 311.426 0.252 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653150355 418036905 /nfs/dbraw/zinc/03/69/05/418036905.db2.gz ZVJANINQCUBPLZ-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659512105 418108353 /nfs/dbraw/zinc/10/83/53/418108353.db2.gz MKQPKMHMNQUJCH-UHFFFAOYSA-N 1 3 315.462 0.036 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@@H](NCC2(O)CCCCC2)C1=O ZINC000653284476 418052658 /nfs/dbraw/zinc/05/26/58/418052658.db2.gz IIRCFNWMLQXUHX-CYBMUJFWSA-N 1 3 311.426 0.350 20 0 DCADHO C[C@H](CCNC(=O)C(=O)Nc1cccc2c1CCNC2)[NH+](C)C ZINC000659094674 418057479 /nfs/dbraw/zinc/05/74/79/418057479.db2.gz OVYMZOYWEXLVDE-GFCCVEGCSA-N 1 3 318.421 0.727 20 0 DCADHO COc1ccc(NC(=O)CCN(C)CCN2CC[NH2+]CC2)cc1 ZINC000647835735 418060510 /nfs/dbraw/zinc/06/05/10/418060510.db2.gz LUMUPHCTKYNMOR-UHFFFAOYSA-N 1 3 320.437 0.861 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000659102741 418060758 /nfs/dbraw/zinc/06/07/58/418060758.db2.gz HJRXNIJTUWBJOK-AWEZNQCLSA-N 1 3 318.421 0.945 20 0 DCADHO O=C(CCOC1C[NH2+]C1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659365382 418086303 /nfs/dbraw/zinc/08/63/03/418086303.db2.gz GZPSBTOLUJAQKR-OAHLLOKOSA-N 1 3 305.378 0.665 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CCOC1 ZINC000664109195 418086756 /nfs/dbraw/zinc/08/67/56/418086756.db2.gz MRMCTJYYMMTGGM-GOEBONIOSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CCOC1 ZINC000664109195 418086759 /nfs/dbraw/zinc/08/67/59/418086759.db2.gz MRMCTJYYMMTGGM-GOEBONIOSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)C[C@@H](O)C[N@@H+]1CCN(C)CC12CCCCC2 ZINC000653565469 418090889 /nfs/dbraw/zinc/09/08/89/418090889.db2.gz OANPJYIRIXGTOU-MRXNPFEDSA-N 1 3 313.486 0.876 20 0 DCADHO COCCN(C)C[C@@H](O)C[N@H+]1CCN(C)CC12CCCCC2 ZINC000653565469 418090890 /nfs/dbraw/zinc/09/08/90/418090890.db2.gz OANPJYIRIXGTOU-MRXNPFEDSA-N 1 3 313.486 0.876 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659449380 418099208 /nfs/dbraw/zinc/09/92/08/418099208.db2.gz YKGOCVIYTNQRFP-JTQLQIEISA-N 1 3 310.402 0.170 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659449380 418099211 /nfs/dbraw/zinc/09/92/11/418099211.db2.gz YKGOCVIYTNQRFP-JTQLQIEISA-N 1 3 310.402 0.170 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648105160 418099638 /nfs/dbraw/zinc/09/96/38/418099638.db2.gz ZTUFIDZUFLCNMH-YDHLFZDLSA-N 1 3 310.442 0.077 20 0 DCADHO CN(C)[C@]1(CNC(=O)NCC2([NH3+])CCCC2)CCSC1 ZINC000659463696 418100239 /nfs/dbraw/zinc/10/02/39/418100239.db2.gz ZDMNQFVHXARGOK-AWEZNQCLSA-N 1 3 300.472 0.994 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)CC1 ZINC000648150856 418106863 /nfs/dbraw/zinc/10/68/63/418106863.db2.gz IVCFTWRCPWBUPD-OAGGEKHMSA-N 1 3 306.454 0.223 20 0 DCADHO O=C(NCC12CC(C1)C[NH2+]2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659607658 418124256 /nfs/dbraw/zinc/12/42/56/418124256.db2.gz DINYQLHCIMFSIG-CXOJTPOUSA-N 1 3 308.426 0.291 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659609073 418125853 /nfs/dbraw/zinc/12/58/53/418125853.db2.gz RUNSSKKNKKJYPV-RDJZCZTQSA-N 1 3 322.453 0.635 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000659619309 418129015 /nfs/dbraw/zinc/12/90/15/418129015.db2.gz NLRDXSQAFFWHLR-BFHYXJOUSA-N 1 3 308.430 0.230 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629384 418132207 /nfs/dbraw/zinc/13/22/07/418132207.db2.gz GAOKBRYFQDZGDT-UHFFFAOYSA-N 1 3 322.413 0.268 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000659636025 418134500 /nfs/dbraw/zinc/13/45/00/418134500.db2.gz UBESSYJYSUXOTQ-GFCCVEGCSA-N 1 3 307.398 0.530 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659638069 418134584 /nfs/dbraw/zinc/13/45/84/418134584.db2.gz WNWHWXGGMDSAMU-XJKSGUPXSA-N 1 3 320.437 0.660 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)C1 ZINC000659572655 418119799 /nfs/dbraw/zinc/11/97/99/418119799.db2.gz ZMFKTFWYZZUPMB-OAHLLOKOSA-N 1 3 323.485 0.679 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000659755209 418177721 /nfs/dbraw/zinc/17/77/21/418177721.db2.gz JGSANOUFVMEKHV-LBPRGKRZSA-N 1 3 324.425 0.202 20 0 DCADHO C[NH+]1CCC(CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654427667 418143494 /nfs/dbraw/zinc/14/34/94/418143494.db2.gz ZONFPKCBEQBRSW-LSDHHAIUSA-N 1 3 310.442 0.179 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659688861 418147072 /nfs/dbraw/zinc/14/70/72/418147072.db2.gz MSUIXMIIMYXECF-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000664731240 418149606 /nfs/dbraw/zinc/14/96/06/418149606.db2.gz DNCOKLIEHPVSNN-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC000648777210 418155336 /nfs/dbraw/zinc/15/53/36/418155336.db2.gz SHEFWEUOKIKVAE-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC[N@H+]1C ZINC000648777210 418155338 /nfs/dbraw/zinc/15/53/38/418155338.db2.gz SHEFWEUOKIKVAE-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[NH+](CCNC(=O)C(=O)N1CC2CC1(CN)C2)C(C)C ZINC000659711085 418157204 /nfs/dbraw/zinc/15/72/04/418157204.db2.gz VWIVFJHZIQFPKK-UHFFFAOYSA-N 1 3 310.442 0.171 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659713324 418158163 /nfs/dbraw/zinc/15/81/63/418158163.db2.gz PAODPKXVZCBWJB-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000659725515 418165075 /nfs/dbraw/zinc/16/50/75/418165075.db2.gz XUNRRDJQJVLLOJ-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659734639 418168778 /nfs/dbraw/zinc/16/87/78/418168778.db2.gz ARGUOYMSURAVAN-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000659741531 418173613 /nfs/dbraw/zinc/17/36/13/418173613.db2.gz ODBQLSRULZXPJV-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000660055431 418225253 /nfs/dbraw/zinc/22/52/53/418225253.db2.gz DQWSLQLERBSENX-ZBFHGGJFSA-N 1 3 311.470 0.927 20 0 DCADHO COC[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)OC ZINC000660058050 418225728 /nfs/dbraw/zinc/22/57/28/418225728.db2.gz UVLHPHKMMSLJIW-CQSZACIVSA-N 1 3 301.431 0.038 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NCCN(C)CCCOC)C1 ZINC000660738776 418287369 /nfs/dbraw/zinc/28/73/69/418287369.db2.gz FSHAWQXTKNVKAD-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NCCN(C)CCCOC)C1 ZINC000660738776 418287372 /nfs/dbraw/zinc/28/73/72/418287372.db2.gz FSHAWQXTKNVKAD-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)n1 ZINC000655925285 418302082 /nfs/dbraw/zinc/30/20/82/418302082.db2.gz ZQKSKEZPKQXVLO-QMMMGPOBSA-N 1 3 308.308 0.456 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022025 418318132 /nfs/dbraw/zinc/31/81/32/418318132.db2.gz RYRJBKUQWWWOGC-KKUMJFAQSA-N 1 3 322.453 0.235 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656025895 418320410 /nfs/dbraw/zinc/32/04/10/418320410.db2.gz VZHKLBVOEHGKGR-QLFBSQMISA-N 1 3 324.469 0.753 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656029338 418321672 /nfs/dbraw/zinc/32/16/72/418321672.db2.gz YMTIJOXHEZXHGI-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449332 418262791 /nfs/dbraw/zinc/26/27/91/418262791.db2.gz BWHPJOVJLMRBDR-VYDXJSESSA-N 1 3 308.470 0.518 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655450003 418263387 /nfs/dbraw/zinc/26/33/87/418263387.db2.gz ZBKUVWRUYUFMIK-RYRKJORJSA-N 1 3 322.497 0.766 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(CCN(C)C)C(=O)C1 ZINC000649685065 418267764 /nfs/dbraw/zinc/26/77/64/418267764.db2.gz MPYDACTZTLSPOC-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(CCN(C)C)C(=O)C1 ZINC000649685065 418267767 /nfs/dbraw/zinc/26/77/67/418267767.db2.gz MPYDACTZTLSPOC-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CNS(=O)(=O)C[C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662259383 418393831 /nfs/dbraw/zinc/39/38/31/418393831.db2.gz WQHHLQMDWIRBCG-OAHLLOKOSA-N 1 3 323.462 0.846 20 0 DCADHO CNS(=O)(=O)CCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295044 418399342 /nfs/dbraw/zinc/39/93/42/418399342.db2.gz YPNGAXKMQREGPJ-CQSZACIVSA-N 1 3 303.472 0.637 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C)C2(CO)CCOCC2)CC1 ZINC000192846557 261139468 /nfs/dbraw/zinc/13/94/68/261139468.db2.gz CVWWIFUIWBIGCR-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C)C2(CO)CCOCC2)CC1 ZINC000192846557 261139469 /nfs/dbraw/zinc/13/94/69/261139469.db2.gz CVWWIFUIWBIGCR-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237028348 261156900 /nfs/dbraw/zinc/15/69/00/261156900.db2.gz RHFXSPHMPPZJBA-CJNGLKHVSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000340506182 261183568 /nfs/dbraw/zinc/18/35/68/261183568.db2.gz IRBVRHAAJFEHKL-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000340506182 261183570 /nfs/dbraw/zinc/18/35/70/261183570.db2.gz IRBVRHAAJFEHKL-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000355276013 261324339 /nfs/dbraw/zinc/32/43/39/261324339.db2.gz SLCOHOCQUDOKMC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357089404 261504990 /nfs/dbraw/zinc/50/49/90/261504990.db2.gz PNSOVICRZNJZIY-CQSZACIVSA-N 1 3 303.472 0.589 20 0 DCADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]1 ZINC000390901878 262160183 /nfs/dbraw/zinc/16/01/83/262160183.db2.gz UXEQPRDOZDCQCX-JKSUJKDBSA-N 1 3 303.406 0.756 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000416801058 262240308 /nfs/dbraw/zinc/24/03/08/262240308.db2.gz GJIXHGYGOUEKSN-OAHLLOKOSA-N 1 3 308.426 0.825 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000417094459 262245545 /nfs/dbraw/zinc/24/55/45/262245545.db2.gz QOGPYONRCAOBDA-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000417093874 262245737 /nfs/dbraw/zinc/24/57/37/262245737.db2.gz PFCMEHDTQFFQFL-KGLIPLIRSA-N 1 3 300.447 0.642 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000417099417 262246088 /nfs/dbraw/zinc/24/60/88/262246088.db2.gz ZXKHUMXSIWSZCO-KBPBESRZSA-N 1 3 300.447 0.866 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000417550616 262255347 /nfs/dbraw/zinc/25/53/47/262255347.db2.gz WCSMONMQQQNNFB-LBPRGKRZSA-N 1 3 300.447 0.912 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000417698624 262257713 /nfs/dbraw/zinc/25/77/13/262257713.db2.gz DUTWGFFTYMKEIF-GJZGRUSLSA-N 1 3 306.410 0.706 20 0 DCADHO CCCN(C(=O)NCCN(C)CCCOC)[C@H]1CC[NH2+]C1 ZINC000417748433 262260314 /nfs/dbraw/zinc/26/03/14/262260314.db2.gz IGCIPEOMWKUENQ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000417751845 262261019 /nfs/dbraw/zinc/26/10/19/262261019.db2.gz LTTQCWMVBDZSGS-UHFFFAOYSA-N 1 3 312.458 0.740 20 0 DCADHO COCCNCCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418069584 262269406 /nfs/dbraw/zinc/26/94/06/262269406.db2.gz SBNXUKWWMOGPKN-UHFFFAOYSA-N 1 3 300.447 0.644 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418115045 262270723 /nfs/dbraw/zinc/27/07/23/262270723.db2.gz NFSTYGSTDIKRJL-KGLIPLIRSA-N 1 3 300.447 0.785 20 0 DCADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(CC[NH3+])CCO)cc1 ZINC000418360719 262275415 /nfs/dbraw/zinc/27/54/15/262275415.db2.gz TXHDVGTZWWENIA-HNNXBMFYSA-N 1 3 308.426 0.772 20 0 DCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCCN1CCO ZINC000418357410 262275522 /nfs/dbraw/zinc/27/55/22/262275522.db2.gz ZHIVJRMSQRYNEU-GJZGRUSLSA-N 1 3 312.458 0.522 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418500781 262279539 /nfs/dbraw/zinc/27/95/39/262279539.db2.gz QKIZKWOAYSGCRU-OAHLLOKOSA-N 1 3 305.426 0.892 20 0 DCADHO CC1(CNC(=O)NC[C@H]2CCCN2CCCO)CC[NH2+]CC1 ZINC000418525615 262281810 /nfs/dbraw/zinc/28/18/10/262281810.db2.gz XYYOGBOCAOAULR-CQSZACIVSA-N 1 3 312.458 0.522 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000418598663 262283402 /nfs/dbraw/zinc/28/34/02/262283402.db2.gz IZOHILWTTZOAFW-ILXRZTDVSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418791782 262289999 /nfs/dbraw/zinc/28/99/99/262289999.db2.gz MZOXHIPSSGKCHH-FPCVCCKLSA-N 1 3 324.469 0.521 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418792300 262290082 /nfs/dbraw/zinc/29/00/82/262290082.db2.gz OMPZUMLJVYOLHK-RBSFLKMASA-N 1 3 312.458 0.506 20 0 DCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000418870099 262294333 /nfs/dbraw/zinc/29/43/33/262294333.db2.gz SXZLWPRHCMNWPQ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419073301 262306775 /nfs/dbraw/zinc/30/67/75/262306775.db2.gz CIFGCCUWXNNQAO-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)[C@H]1C[NH3+] ZINC000419120755 262310654 /nfs/dbraw/zinc/31/06/54/262310654.db2.gz ULMSGZWWXVGTSG-DOMZBBRYSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419125687 262310910 /nfs/dbraw/zinc/31/09/10/262310910.db2.gz UKTYNJDFGBLDOC-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CCN)[NH+]1CCCCCC1 ZINC000419129805 262312129 /nfs/dbraw/zinc/31/21/29/262312129.db2.gz YOLQHPCIIUIECZ-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000419154658 262313951 /nfs/dbraw/zinc/31/39/51/262313951.db2.gz QGDKWXSTBZKCCB-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000419154658 262313952 /nfs/dbraw/zinc/31/39/52/262313952.db2.gz QGDKWXSTBZKCCB-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CCC(C)CC1 ZINC000419160960 262315142 /nfs/dbraw/zinc/31/51/42/262315142.db2.gz QYATUNLYYMFOBV-KFWWJZLASA-N 1 3 324.469 0.480 20 0 DCADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419222303 262320654 /nfs/dbraw/zinc/32/06/54/262320654.db2.gz BMGRMRUDFRXJBZ-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419230097 262321598 /nfs/dbraw/zinc/32/15/98/262321598.db2.gz PLXYBZXWKFUSJR-CABCVRRESA-N 1 3 324.469 0.467 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419280681 262323971 /nfs/dbraw/zinc/32/39/71/262323971.db2.gz FKULUPQNVLRHGQ-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419411317 262331336 /nfs/dbraw/zinc/33/13/36/262331336.db2.gz BMRVNFGYQWHKIG-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419418652 262331901 /nfs/dbraw/zinc/33/19/01/262331901.db2.gz IPXVDBSBIWZKNB-ZNMIVQPWSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419419050 262332349 /nfs/dbraw/zinc/33/23/49/262332349.db2.gz YTHULZNUXAFCQC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419423981 262333013 /nfs/dbraw/zinc/33/30/13/262333013.db2.gz NSWNRCRYCLUGAC-IYXRBSQSSA-N 1 3 310.442 0.363 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000419427653 262333280 /nfs/dbraw/zinc/33/32/80/262333280.db2.gz SDNJXLKZVGYNKK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419426197 262333462 /nfs/dbraw/zinc/33/34/62/262333462.db2.gz QGASVDPYSRJRPB-RDBSUJKOSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000419519452 262336646 /nfs/dbraw/zinc/33/66/46/262336646.db2.gz GANWIVUAGUVDOQ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419596070 262339677 /nfs/dbraw/zinc/33/96/77/262339677.db2.gz XMVXBLICXQLOHF-PBHICJAKSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419596043 262339699 /nfs/dbraw/zinc/33/96/99/262339699.db2.gz XLCURTMVDBVBJB-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419693074 262345729 /nfs/dbraw/zinc/34/57/29/262345729.db2.gz IBCSFCMJDQKSRA-GUTXKFCHSA-N 1 3 322.453 0.376 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419693070 262345925 /nfs/dbraw/zinc/34/59/25/262345925.db2.gz IAEYSTLLIFYKBF-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419697747 262346943 /nfs/dbraw/zinc/34/69/43/262346943.db2.gz RNHAURPKKNCDLO-HIFRSBDPSA-N 1 3 322.453 0.459 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699189 262347634 /nfs/dbraw/zinc/34/76/34/262347634.db2.gz VQKXROFLXTVMOV-GUTXKFCHSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCC[C@@H](C)C1 ZINC000419875975 262351250 /nfs/dbraw/zinc/35/12/50/262351250.db2.gz WZMLCJYRWMPFIH-YRGRVCCFSA-N 1 3 310.442 0.077 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419968245 262354607 /nfs/dbraw/zinc/35/46/07/262354607.db2.gz PQHSSBXRURVMNO-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000419967630 262354801 /nfs/dbraw/zinc/35/48/01/262354801.db2.gz BLPDDKLYWINMIZ-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000422109795 262396412 /nfs/dbraw/zinc/39/64/12/262396412.db2.gz VUQGGZLRPZVSNY-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000422109795 262396414 /nfs/dbraw/zinc/39/64/14/262396414.db2.gz VUQGGZLRPZVSNY-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422114322 262396912 /nfs/dbraw/zinc/39/69/12/262396912.db2.gz LNCKHAUEHGCOQW-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422114322 262396914 /nfs/dbraw/zinc/39/69/14/262396914.db2.gz LNCKHAUEHGCOQW-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000422119028 262397458 /nfs/dbraw/zinc/39/74/58/262397458.db2.gz NVUAYHAKNIUULU-KFWWJZLASA-N 1 3 322.453 0.234 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000422119028 262397459 /nfs/dbraw/zinc/39/74/59/262397459.db2.gz NVUAYHAKNIUULU-KFWWJZLASA-N 1 3 322.453 0.234 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nn1 ZINC000423114177 262430054 /nfs/dbraw/zinc/43/00/54/262430054.db2.gz ZYDRFWQYZXKBOI-UPJWGTAASA-N 1 3 307.398 0.575 20 0 DCADHO C[NH+](C)CCOc1ccc(CCNC(=O)COC2CNC2)cc1 ZINC000430906728 262625712 /nfs/dbraw/zinc/62/57/12/262625712.db2.gz NSMREZXRKVFHCJ-UHFFFAOYSA-N 1 3 321.421 0.274 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418734446 271252937 /nfs/dbraw/zinc/25/29/37/271252937.db2.gz SFLNSQBZVUQNBH-ZIAGYGMSSA-N 1 3 311.474 0.534 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H]1CCCCN1CCO ZINC000418731973 271253044 /nfs/dbraw/zinc/25/30/44/271253044.db2.gz JLESFFHRRBTGAU-LXINESAQSA-N 1 3 324.469 0.648 20 0 DCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000418844102 271258270 /nfs/dbraw/zinc/25/82/70/271258270.db2.gz LLJSARHIMKJKNH-AWEZNQCLSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419027950 271265985 /nfs/dbraw/zinc/26/59/85/271265985.db2.gz PINQFUGUDDGXPX-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419031839 271268130 /nfs/dbraw/zinc/26/81/30/271268130.db2.gz VUNNFJXUOHYOIJ-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419278507 271281469 /nfs/dbraw/zinc/28/14/69/271281469.db2.gz BARKWGLVAJYXLS-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419403010 271288154 /nfs/dbraw/zinc/28/81/54/271288154.db2.gz CYGWZCLGINLOSI-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419522997 271298485 /nfs/dbraw/zinc/29/84/85/271298485.db2.gz NNDPRLXWBXTZKK-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H](N(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000419902407 271341368 /nfs/dbraw/zinc/34/13/68/271341368.db2.gz UKPGTWNSSRLGIA-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420117310 271357865 /nfs/dbraw/zinc/35/78/65/271357865.db2.gz HIMRJBUMVCSBRX-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000420171873 271361595 /nfs/dbraw/zinc/36/15/95/271361595.db2.gz OHSONABECAWVOS-CYBMUJFWSA-N 1 3 324.425 0.284 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000459908679 272018246 /nfs/dbraw/zinc/01/82/46/272018246.db2.gz AKDNITZPMDZNSR-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+](C)CCOCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000471661455 272028671 /nfs/dbraw/zinc/02/86/71/272028671.db2.gz DBXPXYZGZBACQC-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC([NH3+])CC1)N1CCCCC1 ZINC000418830921 275860294 /nfs/dbraw/zinc/86/02/94/275860294.db2.gz IPRQQBKSHMNKMB-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CN1C(=O)CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1=O ZINC000328634475 277008113 /nfs/dbraw/zinc/00/81/13/277008113.db2.gz BNNPGKLHAGHLIE-AWEZNQCLSA-N 1 3 302.378 0.787 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546591586 288019804 /nfs/dbraw/zinc/01/98/04/288019804.db2.gz BJEKTUWZHRRSQO-FMKPAKJESA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000546591586 288019807 /nfs/dbraw/zinc/01/98/07/288019807.db2.gz BJEKTUWZHRRSQO-FMKPAKJESA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000340775886 278197100 /nfs/dbraw/zinc/19/71/00/278197100.db2.gz NWCOZMUWBUHLQW-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)C1CC1 ZINC000359274721 279034182 /nfs/dbraw/zinc/03/41/82/279034182.db2.gz FQQVNUFWMMGUEE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)C1CC1 ZINC000359274721 279034183 /nfs/dbraw/zinc/03/41/83/279034183.db2.gz FQQVNUFWMMGUEE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000342046373 279306339 /nfs/dbraw/zinc/30/63/39/279306339.db2.gz VHPBIRHJXWMZFJ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000342046373 279306341 /nfs/dbraw/zinc/30/63/41/279306341.db2.gz VHPBIRHJXWMZFJ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000236882610 279358795 /nfs/dbraw/zinc/35/87/95/279358795.db2.gz NEWBHLASIYZZNK-DOTOQJQBSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000332096017 288306652 /nfs/dbraw/zinc/30/66/52/288306652.db2.gz PJTFNMZCNIMJNP-KGLIPLIRSA-N 1 3 322.453 0.459 20 0 DCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000554491456 288323394 /nfs/dbraw/zinc/32/33/94/288323394.db2.gz DTCJUMCHDXXUHL-GDBMZVCRSA-N 1 3 308.470 0.565 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000561224245 288533607 /nfs/dbraw/zinc/53/36/07/288533607.db2.gz PEYHOJUUPQEUCK-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563116492 288633313 /nfs/dbraw/zinc/63/33/13/288633313.db2.gz JFCAGYHTEVDSQG-DZKIICNBSA-N 1 3 320.441 0.808 20 0 DCADHO Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)ccc1CN(C)C ZINC000563450703 288677633 /nfs/dbraw/zinc/67/76/33/288677633.db2.gz XOFLBPABAGHPKN-AWEZNQCLSA-N 1 3 304.394 0.473 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000563626578 288693347 /nfs/dbraw/zinc/69/33/47/288693347.db2.gz RMFXUMWUQNQWSR-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332295506 288848885 /nfs/dbraw/zinc/84/88/85/288848885.db2.gz MDJOHZPEMJXYPZ-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO COC[C@]1(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CCC[NH2+]1 ZINC000331763134 293289536 /nfs/dbraw/zinc/28/95/36/293289536.db2.gz HGDOAYFUEQODEN-ZMSDIMECSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CN1C1CC1 ZINC000333127254 297274138 /nfs/dbraw/zinc/27/41/38/297274138.db2.gz BGNRUFRSLJCIQA-IIAWOOMASA-N 1 3 321.469 0.301 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332067749 303394723 /nfs/dbraw/zinc/39/47/23/303394723.db2.gz SSKAJNNZIFRCOZ-MELADBBJSA-N 1 3 308.426 0.069 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332067749 303394724 /nfs/dbraw/zinc/39/47/24/303394724.db2.gz SSKAJNNZIFRCOZ-MELADBBJSA-N 1 3 308.426 0.069 20 0 DCADHO O=C(NC[C@H]1CNCCO1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000580211847 333012039 /nfs/dbraw/zinc/01/20/39/333012039.db2.gz MIWXMKCOGFHDKA-QLFBSQMISA-N 1 3 323.824 0.748 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000580332359 333308870 /nfs/dbraw/zinc/30/88/70/333308870.db2.gz PWZFBADHUVVXMI-UKRRQHHQSA-N 1 3 305.426 0.879 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]C/C=C/Cl)CCC1 ZINC001571581296 1159218816 /nfs/dbraw/zinc/21/88/16/1159218816.db2.gz IHSBZSUBSMTKMM-FZKGZDJFSA-N 1 3 303.834 0.632 20 0 DCADHO CC(C)N1CCCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000584353513 336077369 /nfs/dbraw/zinc/07/73/69/336077369.db2.gz BTZFRSPCHLTVIW-UHFFFAOYSA-N 1 3 320.441 0.759 20 0 DCADHO NC(=O)c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000582549299 337103772 /nfs/dbraw/zinc/10/37/72/337103772.db2.gz UYNBNXOZVFRWOY-ZDUSSCGKSA-N 1 3 303.410 0.302 20 0 DCADHO CS(=O)(=O)N1CC(CN2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)C1 ZINC001579342180 1159271389 /nfs/dbraw/zinc/27/13/89/1159271389.db2.gz IZZKXTDCUSEMMT-UONOGXRCSA-N 1 3 301.456 0.329 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001446425171 1159409669 /nfs/dbraw/zinc/40/96/69/1159409669.db2.gz WHJMGZOFENAPFI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO O[C@@]1(Cn2ccnn2)CCC[N@H+](CCCN2CCCCC2)C1 ZINC000331374143 534421661 /nfs/dbraw/zinc/42/16/61/534421661.db2.gz KAOUTKWRYDSAPL-INIZCTEOSA-N 1 3 307.442 0.981 20 0 DCADHO O[C@@]1(Cn2ccnn2)CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000331374143 534421665 /nfs/dbraw/zinc/42/16/65/534421665.db2.gz KAOUTKWRYDSAPL-INIZCTEOSA-N 1 3 307.442 0.981 20 0 DCADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369048731 524048587 /nfs/dbraw/zinc/04/85/87/524048587.db2.gz XJCPAGSNBUSITI-HZPDHXFCSA-N 1 3 324.469 0.833 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)N2CCCC2)cc1 ZINC000262319784 525957660 /nfs/dbraw/zinc/95/76/60/525957660.db2.gz CLQQVXQZFHCSQJ-IKGGRYGDSA-N 1 3 317.433 0.971 20 0 DCADHO CC(C)(C)N1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000187833187 526287488 /nfs/dbraw/zinc/28/74/88/526287488.db2.gz XXPGMIAUBSLCBT-UHFFFAOYSA-N 1 3 303.472 0.730 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000331716282 528975062 /nfs/dbraw/zinc/97/50/62/528975062.db2.gz OIRBAEQNLCVYAT-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000331716282 528975068 /nfs/dbraw/zinc/97/50/68/528975068.db2.gz OIRBAEQNLCVYAT-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000420325040 535636500 /nfs/dbraw/zinc/63/65/00/535636500.db2.gz HXHHGLXTKUJQJC-ULQDDVLXSA-N 1 3 322.497 0.861 20 0 DCADHO CCOC(=O)CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000420328140 535648518 /nfs/dbraw/zinc/64/85/18/535648518.db2.gz ZLMIVQHIZCHZFG-UONOGXRCSA-N 1 3 311.426 0.520 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419846145 535865527 /nfs/dbraw/zinc/86/55/27/535865527.db2.gz RGGYTPXARACYDG-ZDUSSCGKSA-N 1 3 322.409 0.038 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000449642654 535881897 /nfs/dbraw/zinc/88/18/97/535881897.db2.gz GWEUKLTXQUXLRS-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H](C)CN1 ZINC000333132211 546072809 /nfs/dbraw/zinc/07/28/09/546072809.db2.gz BWNDDFYASTUGTE-CLWVCHIJSA-N 1 3 324.469 0.756 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)N1C ZINC000352886967 546171594 /nfs/dbraw/zinc/17/15/94/546171594.db2.gz XYXUCKOFLWXZKC-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)N1C ZINC000352886967 546171602 /nfs/dbraw/zinc/17/16/02/546171602.db2.gz XYXUCKOFLWXZKC-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377806859 546215253 /nfs/dbraw/zinc/21/52/53/546215253.db2.gz KFJWRKMZUFGSBO-BHYGNILZSA-N 1 3 322.497 0.764 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN2CCC[C@H]([NH+](C)C)CC2)C[C@H](C)O1 ZINC000429537575 546249758 /nfs/dbraw/zinc/24/97/58/546249758.db2.gz QQILMASKSZWJDW-VVLHAWIVSA-N 1 3 313.486 0.873 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000638065837 546335439 /nfs/dbraw/zinc/33/54/39/546335439.db2.gz BOUBYDLWVGWFPC-INIZCTEOSA-N 1 3 306.454 0.904 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000664518821 546383820 /nfs/dbraw/zinc/38/38/20/546383820.db2.gz DEFJYVQONZEMLF-KKUMJFAQSA-N 1 3 314.474 0.861 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@H](O)CC1 ZINC000664518821 546383823 /nfs/dbraw/zinc/38/38/23/546383823.db2.gz DEFJYVQONZEMLF-KKUMJFAQSA-N 1 3 314.474 0.861 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCOC1 ZINC000665757514 546393607 /nfs/dbraw/zinc/39/36/07/546393607.db2.gz MMQRJJZQTMSXGN-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCOC1 ZINC000665757514 546393611 /nfs/dbraw/zinc/39/36/11/546393611.db2.gz MMQRJJZQTMSXGN-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000665761813 546397406 /nfs/dbraw/zinc/39/74/06/546397406.db2.gz QRMSMLVLJGGROP-KKUMJFAQSA-N 1 3 314.474 0.861 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCC[C@@H]1O ZINC000665761813 546397409 /nfs/dbraw/zinc/39/74/09/546397409.db2.gz QRMSMLVLJGGROP-KKUMJFAQSA-N 1 3 314.474 0.861 20 0 DCADHO CN(C)CCn1cc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cn1 ZINC000667156337 546563573 /nfs/dbraw/zinc/56/35/73/546563573.db2.gz FGMMFPXBIVFTGY-HNNXBMFYSA-N 1 3 308.430 0.956 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@H+](CC)C2CC2)C1 ZINC000668777661 546844050 /nfs/dbraw/zinc/84/40/50/546844050.db2.gz UAEPCYRSCPEQGI-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[N@@H+](CC)C2CC2)C1 ZINC000668777661 546844052 /nfs/dbraw/zinc/84/40/52/546844052.db2.gz UAEPCYRSCPEQGI-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000668893471 546873556 /nfs/dbraw/zinc/87/35/56/546873556.db2.gz PTOKVGIJGOMCAK-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000668893471 546873558 /nfs/dbraw/zinc/87/35/58/546873558.db2.gz PTOKVGIJGOMCAK-MCIONIFRSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000668893473 546874545 /nfs/dbraw/zinc/87/45/45/546874545.db2.gz PTOKVGIJGOMCAK-RDBSUJKOSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000668893473 546874548 /nfs/dbraw/zinc/87/45/48/546874548.db2.gz PTOKVGIJGOMCAK-RDBSUJKOSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N[C@H]2CCC[NH2+]CC2)CCCO1 ZINC000669570911 546992912 /nfs/dbraw/zinc/99/29/12/546992912.db2.gz ONHLYDJFFGRLGB-GJZGRUSLSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCO1 ZINC000669570906 546993157 /nfs/dbraw/zinc/99/31/57/546993157.db2.gz LIUADDLVPMLHGL-RDJZCZTQSA-N 1 3 324.469 0.882 20 0 DCADHO CS(=O)(=O)NC1CC(NC2CC[NH+](CC3CC3)CC2)C1 ZINC000670271229 547068528 /nfs/dbraw/zinc/06/85/28/547068528.db2.gz BQGDJOFWGDUGIQ-UHFFFAOYSA-N 1 3 301.456 0.531 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671181317 547174893 /nfs/dbraw/zinc/17/48/93/547174893.db2.gz LZWURJVCBQYZDR-RBSFLKMASA-N 1 3 320.437 0.036 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671181317 547174898 /nfs/dbraw/zinc/17/48/98/547174898.db2.gz LZWURJVCBQYZDR-RBSFLKMASA-N 1 3 320.437 0.036 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671820037 547297043 /nfs/dbraw/zinc/29/70/43/547297043.db2.gz HTGVATPVYPZVMM-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000671820624 547299100 /nfs/dbraw/zinc/29/91/00/547299100.db2.gz SISWVPHQXQFMMV-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673522182 547496102 /nfs/dbraw/zinc/49/61/02/547496102.db2.gz DSDZHKMHIYKGLE-DLBZAZTESA-N 1 3 319.449 0.937 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673522182 547496106 /nfs/dbraw/zinc/49/61/06/547496106.db2.gz DSDZHKMHIYKGLE-DLBZAZTESA-N 1 3 319.449 0.937 20 0 DCADHO CCCN1CCC([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000675887195 547717998 /nfs/dbraw/zinc/71/79/98/547717998.db2.gz ZHBZMVFLXAPFTE-GOSISDBHSA-N 1 3 324.513 0.857 20 0 DCADHO CCC[NH+]1CCC(N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000675887195 547718005 /nfs/dbraw/zinc/71/80/05/547718005.db2.gz ZHBZMVFLXAPFTE-GOSISDBHSA-N 1 3 324.513 0.857 20 0 DCADHO C[C@H]1CN(Cc2ccn(C)c(=O)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677904505 547918720 /nfs/dbraw/zinc/91/87/20/547918720.db2.gz RBBAARKUGBQXBA-RDJZCZTQSA-N 1 3 318.465 0.843 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000678906040 548015900 /nfs/dbraw/zinc/01/59/00/548015900.db2.gz DETODLIDLANWOZ-UHFFFAOYSA-N 1 3 323.485 0.574 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000678906040 548015904 /nfs/dbraw/zinc/01/59/04/548015904.db2.gz DETODLIDLANWOZ-UHFFFAOYSA-N 1 3 323.485 0.574 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C1 ZINC000683851710 548525212 /nfs/dbraw/zinc/52/52/12/548525212.db2.gz SCGHUKKAXHNGKG-SJORKVTESA-N 1 3 320.481 0.852 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C1 ZINC000683851710 548525214 /nfs/dbraw/zinc/52/52/14/548525214.db2.gz SCGHUKKAXHNGKG-SJORKVTESA-N 1 3 320.481 0.852 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)N(C)C)C1 ZINC001672901194 1175160755 /nfs/dbraw/zinc/16/07/55/1175160755.db2.gz BQTSUCQHQPZLKV-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[N@@H+](CCOCCO)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001674495378 1175278151 /nfs/dbraw/zinc/27/81/51/1175278151.db2.gz HHWOLJDRTPCMAP-OAHLLOKOSA-N 1 3 313.442 0.014 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000893538579 660490796 /nfs/dbraw/zinc/49/07/96/660490796.db2.gz ZFZRGXURRGFSGZ-HUUCEWRRSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C)CCN(C)CC2)C[N@H+]1C1CC1 ZINC000893538579 660490797 /nfs/dbraw/zinc/49/07/97/660490797.db2.gz ZFZRGXURRGFSGZ-HUUCEWRRSA-N 1 3 323.485 0.500 20 0 DCADHO CO[C@H](C)CN1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765368 665464209 /nfs/dbraw/zinc/46/42/09/665464209.db2.gz XARXDEZENMXLIO-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO C[NH+](C)[C@@]1(CNC(=O)c2[nH]nc3c2CNCC3)CCSC1 ZINC000446289201 665477113 /nfs/dbraw/zinc/47/71/13/665477113.db2.gz PRMLCCFQFAGNKC-CQSZACIVSA-N 1 3 309.439 0.223 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023086717 657490529 /nfs/dbraw/zinc/49/05/29/657490529.db2.gz VHHUUIUTNTYNIX-MCIONIFRSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023086717 657490536 /nfs/dbraw/zinc/49/05/36/657490536.db2.gz VHHUUIUTNTYNIX-MCIONIFRSA-N 1 3 303.410 0.474 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000891575933 657492469 /nfs/dbraw/zinc/49/24/69/657492469.db2.gz JGPJGQUMKWSOOQ-RYUDHWBXSA-N 1 3 320.384 0.251 20 0 DCADHO CCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000891604459 657516141 /nfs/dbraw/zinc/51/61/41/657516141.db2.gz YNTWQOSLTRKPPH-LSDHHAIUSA-N 1 3 311.474 0.263 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001023125429 657538022 /nfs/dbraw/zinc/53/80/22/657538022.db2.gz QAWZDUQMMSFKQZ-SYQHCUMBSA-N 1 3 320.441 0.425 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2CN(CCCO)C2)CC1 ZINC000970672555 657770915 /nfs/dbraw/zinc/77/09/15/657770915.db2.gz MQYNKXXFOLETDI-AWEZNQCLSA-N 1 3 311.470 0.926 20 0 DCADHO O=C(CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)N1CCC1 ZINC000970788916 657908421 /nfs/dbraw/zinc/90/84/21/657908421.db2.gz RDBWSYHZPRLPDF-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC000970792526 657910044 /nfs/dbraw/zinc/91/00/44/657910044.db2.gz MROWQMPBTYCRLK-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969564531 657985440 /nfs/dbraw/zinc/98/54/40/657985440.db2.gz URSRXDGAVPRUNG-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2CN1 ZINC000891975757 658039678 /nfs/dbraw/zinc/03/96/78/658039678.db2.gz DLBNLXXIVXRMJE-MRXNPFEDSA-N 1 3 302.422 1.000 20 0 DCADHO C[C@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760307 658124456 /nfs/dbraw/zinc/12/44/56/658124456.db2.gz MDAAVVOUTHUVGY-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586623 658162049 /nfs/dbraw/zinc/16/20/49/658162049.db2.gz UCEQFSRNEASRDC-IHRRRGAJSA-N 1 3 320.441 0.519 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1 ZINC001020586824 658164568 /nfs/dbraw/zinc/16/45/68/658164568.db2.gz ZRXQUSCFXYAZDU-IHRRRGAJSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892079096 658167625 /nfs/dbraw/zinc/16/76/25/658167625.db2.gz VALDTOMGWTZCDD-WQVCFCJDSA-N 1 3 302.422 0.998 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[C@@H]1C[NH3+] ZINC000926345000 658167648 /nfs/dbraw/zinc/16/76/48/658167648.db2.gz BCXIMZVWGZYNFJ-YJNKXOJESA-N 1 3 322.453 0.125 20 0 DCADHO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CN(CCCO)C1 ZINC000969944246 658279895 /nfs/dbraw/zinc/27/98/95/658279895.db2.gz LAHKYLNATGFSGN-AWEZNQCLSA-N 1 3 309.454 0.681 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cc1 ZINC000969964629 658298282 /nfs/dbraw/zinc/29/82/82/658298282.db2.gz GYHMYQIZLANVAV-OAHLLOKOSA-N 1 3 318.421 0.080 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022710340 658345987 /nfs/dbraw/zinc/34/59/87/658345987.db2.gz FJDJLQWQJQZIGD-ZOWXZIJZSA-N 1 3 301.406 0.428 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001022712461 658357457 /nfs/dbraw/zinc/35/74/57/658357457.db2.gz QWDYOWUKAGUZGV-SOUVJXGZSA-N 1 3 319.453 0.684 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1)C(N)=O ZINC001020676271 658366731 /nfs/dbraw/zinc/36/67/31/658366731.db2.gz YZUFZGVSAFQGIY-TUVASFSCSA-N 1 3 324.469 0.750 20 0 DCADHO CN(CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001024018570 658401494 /nfs/dbraw/zinc/40/14/94/658401494.db2.gz PTJAOBJNVURVMN-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001024018572 658401793 /nfs/dbraw/zinc/40/17/93/658401793.db2.gz PTJAOBJNVURVMN-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001024018569 658401987 /nfs/dbraw/zinc/40/19/87/658401987.db2.gz PTJAOBJNVURVMN-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1cnccn1 ZINC001020934317 658597600 /nfs/dbraw/zinc/59/76/00/658597600.db2.gz QTEIBYDXLOMGQB-MGPQQGTHSA-N 1 3 315.421 0.870 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022808654 658601569 /nfs/dbraw/zinc/60/15/69/658601569.db2.gz YPSRNOSOOBAKLO-LJISPDSOSA-N 1 3 322.453 0.375 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1)N(C)C ZINC000972353928 658605501 /nfs/dbraw/zinc/60/55/01/658605501.db2.gz JNEKSLJJSOADTB-CABCVRRESA-N 1 3 307.442 0.756 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1)N(C)C ZINC000972353928 658605505 /nfs/dbraw/zinc/60/55/05/658605505.db2.gz JNEKSLJJSOADTB-CABCVRRESA-N 1 3 307.442 0.756 20 0 DCADHO C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427103 658752660 /nfs/dbraw/zinc/75/26/60/658752660.db2.gz UFUJQSGTDAPYCX-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427103 658752663 /nfs/dbraw/zinc/75/26/63/658752663.db2.gz UFUJQSGTDAPYCX-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022103795 658865142 /nfs/dbraw/zinc/86/51/42/658865142.db2.gz NOQKAVKYEPVAPR-APIJFGDWSA-N 1 3 317.437 0.862 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022103795 658865145 /nfs/dbraw/zinc/86/51/45/658865145.db2.gz NOQKAVKYEPVAPR-APIJFGDWSA-N 1 3 317.437 0.862 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000891513885 658899558 /nfs/dbraw/zinc/89/95/58/658899558.db2.gz ISPMZPZLLIBSSL-ZQDZILKHSA-N 1 3 310.442 0.666 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892602768 658976727 /nfs/dbraw/zinc/97/67/27/658976727.db2.gz OAYWKFMLTRNWLF-QDMKHBRRSA-N 1 3 312.458 0.737 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC000999363825 665637021 /nfs/dbraw/zinc/63/70/21/665637021.db2.gz KHZLRVAGNDENMA-UKRRQHHQSA-N 1 3 322.453 0.330 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027172919 659061131 /nfs/dbraw/zinc/06/11/31/659061131.db2.gz HRKGICZUKMBLIR-CQSZACIVSA-N 1 3 317.437 0.454 20 0 DCADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CCO)C1 ZINC000999401521 665641150 /nfs/dbraw/zinc/64/11/50/665641150.db2.gz POTUSOCLQGBLGI-ZUEPYMLJSA-N 1 3 315.433 0.770 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001025159676 659091920 /nfs/dbraw/zinc/09/19/20/659091920.db2.gz IKYBFTCXCRKLMR-OAHLLOKOSA-N 1 3 319.453 0.987 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3C)C2)C1 ZINC000973966160 659094478 /nfs/dbraw/zinc/09/44/78/659094478.db2.gz RAABXSWZSOFPMW-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3C)C2)C1 ZINC000973966160 659094482 /nfs/dbraw/zinc/09/44/82/659094482.db2.gz RAABXSWZSOFPMW-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CCCC2)cn1 ZINC001025159882 659096343 /nfs/dbraw/zinc/09/63/43/659096343.db2.gz QLOHFDDDYDCADK-MRXNPFEDSA-N 1 3 319.453 0.987 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC001007497988 659139857 /nfs/dbraw/zinc/13/98/57/659139857.db2.gz XNNNQHFHDBDELM-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC001007497988 659139858 /nfs/dbraw/zinc/13/98/58/659139858.db2.gz XNNNQHFHDBDELM-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892793175 659456922 /nfs/dbraw/zinc/45/69/22/659456922.db2.gz SEJOHSYMWNQWHH-OWCLPIDISA-N 1 3 300.406 0.847 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734659 659492645 /nfs/dbraw/zinc/49/26/45/659492645.db2.gz RBTWWIYHQNDNHK-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892944732 659539018 /nfs/dbraw/zinc/53/90/18/659539018.db2.gz UUWXSIMJNTYBFT-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000892944732 659539022 /nfs/dbraw/zinc/53/90/22/659539022.db2.gz UUWXSIMJNTYBFT-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799031 659564997 /nfs/dbraw/zinc/56/49/97/659564997.db2.gz QAFNAWSAEUJBDF-FIDHJVLJSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799031 659565001 /nfs/dbraw/zinc/56/50/01/659565001.db2.gz QAFNAWSAEUJBDF-FIDHJVLJSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025798870 659565215 /nfs/dbraw/zinc/56/52/15/659565215.db2.gz MWMDLLUNIBXXNC-FIDHJVLJSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025798870 659565218 /nfs/dbraw/zinc/56/52/18/659565218.db2.gz MWMDLLUNIBXXNC-FIDHJVLJSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001019775074 659612815 /nfs/dbraw/zinc/61/28/15/659612815.db2.gz VOWTZHBJBROZSH-UONOGXRCSA-N 1 3 318.425 0.052 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999857970 665693806 /nfs/dbraw/zinc/69/38/06/665693806.db2.gz NBZKJPCOAAADDP-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999857970 665693808 /nfs/dbraw/zinc/69/38/08/665693808.db2.gz NBZKJPCOAAADDP-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999832317 665695437 /nfs/dbraw/zinc/69/54/37/665695437.db2.gz DOCFWYYYGJFGFX-UHFFFAOYSA-N 1 3 319.453 0.637 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001027042952 659728668 /nfs/dbraw/zinc/72/86/68/659728668.db2.gz SELNLWWVJOUHKO-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001027062733 659758602 /nfs/dbraw/zinc/75/86/02/659758602.db2.gz ATNLWHWSDNWJBS-STQMWFEESA-N 1 3 323.466 0.961 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001027062733 659758605 /nfs/dbraw/zinc/75/86/05/659758605.db2.gz ATNLWHWSDNWJBS-STQMWFEESA-N 1 3 323.466 0.961 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001027064160 659760782 /nfs/dbraw/zinc/76/07/82/659760782.db2.gz YIMWDYVEXHRYSO-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001027063719 659761198 /nfs/dbraw/zinc/76/11/98/659761198.db2.gz QKTGYHWEMXAPDI-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001027063719 659761203 /nfs/dbraw/zinc/76/12/03/659761203.db2.gz QKTGYHWEMXAPDI-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982163739 661298471 /nfs/dbraw/zinc/29/84/71/661298471.db2.gz RAQKVEAMEHZPIG-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000982163739 661298473 /nfs/dbraw/zinc/29/84/73/661298473.db2.gz RAQKVEAMEHZPIG-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001000182300 665766098 /nfs/dbraw/zinc/76/60/98/665766098.db2.gz DLNYNXWWDYNZOS-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001000189117 665768809 /nfs/dbraw/zinc/76/88/09/665768809.db2.gz CPJNOJUKAKKTLQ-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](NCc3cnnn3C)C2)C1 ZINC001000193496 665769386 /nfs/dbraw/zinc/76/93/86/665769386.db2.gz QMBCAZUXZNNIST-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NCc3cnnn3C)C2)C1 ZINC001000193496 665769388 /nfs/dbraw/zinc/76/93/88/665769388.db2.gz QMBCAZUXZNNIST-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)c1 ZINC000927883191 661697537 /nfs/dbraw/zinc/69/75/37/661697537.db2.gz NLRMJNMGUOSVQO-ZDUSSCGKSA-N 1 3 318.421 0.884 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001000219941 665787056 /nfs/dbraw/zinc/78/70/56/665787056.db2.gz QNILIOZLPPSLKD-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000924981671 661830123 /nfs/dbraw/zinc/83/01/23/661830123.db2.gz LOIQQCTUHKKHNK-BZUAXINKSA-N 1 3 305.422 0.861 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001000322888 665819776 /nfs/dbraw/zinc/81/97/76/665819776.db2.gz FPXZNEUPLAFLOU-UONOGXRCSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC000984805000 662317006 /nfs/dbraw/zinc/31/70/06/662317006.db2.gz QXPNOWXLZNNQMN-IHRRRGAJSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@H]1CN(C(=O)[C@H]2CCCN2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897262927 662414072 /nfs/dbraw/zinc/41/40/72/662414072.db2.gz DAWAWLBBNLAUDI-ARFHVFGLSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000985499468 662468494 /nfs/dbraw/zinc/46/84/94/662468494.db2.gz RYQAYOGYRZGINN-TZMCWYRMSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000985499468 662468495 /nfs/dbraw/zinc/46/84/95/662468495.db2.gz RYQAYOGYRZGINN-TZMCWYRMSA-N 1 3 310.442 0.267 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985500110 662469113 /nfs/dbraw/zinc/46/91/13/662469113.db2.gz ZUSLBYDOGBWPIE-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985500110 662469114 /nfs/dbraw/zinc/46/91/14/662469114.db2.gz ZUSLBYDOGBWPIE-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO C[N@H+](CCn1cccn1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674830 662499555 /nfs/dbraw/zinc/49/95/55/662499555.db2.gz KHQLVPFJKUBUFP-UHFFFAOYSA-N 1 3 316.409 0.772 20 0 DCADHO C[N@@H+](CCn1cccn1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674830 662499556 /nfs/dbraw/zinc/49/95/56/662499556.db2.gz KHQLVPFJKUBUFP-UHFFFAOYSA-N 1 3 316.409 0.772 20 0 DCADHO C[C@@H]1[C@@H](NCCF)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000987166646 662650209 /nfs/dbraw/zinc/65/02/09/662650209.db2.gz HWHBRPKYQDRXDI-OCCSQVGLSA-N 1 3 311.405 0.607 20 0 DCADHO C[C@H]1[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC000987515218 662683362 /nfs/dbraw/zinc/68/33/62/662683362.db2.gz ATJHCIYZIVTZTD-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC000987520407 662685545 /nfs/dbraw/zinc/68/55/45/662685545.db2.gz RZWJHSVMXVGNCO-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001030019343 662855024 /nfs/dbraw/zinc/85/50/24/662855024.db2.gz ZJHZQQJRJYWMGD-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1C[C@@H](NCCF)CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000988854967 662868127 /nfs/dbraw/zinc/86/81/27/662868127.db2.gz MKIDCHBHDLYOTN-QWHCGFSZSA-N 1 3 311.405 0.607 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989393209 662909265 /nfs/dbraw/zinc/90/92/65/662909265.db2.gz YSUKALYLENTUCX-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989492251 662953609 /nfs/dbraw/zinc/95/36/09/662953609.db2.gz LVXULSMWTWENFR-GXTWGEPZSA-N 1 3 319.409 0.154 20 0 DCADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000989561380 662959782 /nfs/dbraw/zinc/95/97/82/662959782.db2.gz CBUQSVJMNQIMMN-WFASDCNBSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001030020700 663084664 /nfs/dbraw/zinc/08/46/64/663084664.db2.gz CPAIOEGFLGTFIW-XUXIUFHCSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001030020700 663084665 /nfs/dbraw/zinc/08/46/65/663084665.db2.gz CPAIOEGFLGTFIW-XUXIUFHCSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1cnn(C)c1 ZINC000899538381 663151885 /nfs/dbraw/zinc/15/18/85/663151885.db2.gz NVZYMGAAWOZNIB-LBPRGKRZSA-N 1 3 312.487 0.979 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1cnn(C)c1 ZINC000899538381 663151887 /nfs/dbraw/zinc/15/18/87/663151887.db2.gz NVZYMGAAWOZNIB-LBPRGKRZSA-N 1 3 312.487 0.979 20 0 DCADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000900119940 663216385 /nfs/dbraw/zinc/21/63/85/663216385.db2.gz SZPKQJBWCQHUDN-KRWDZBQOSA-N 1 3 309.454 0.920 20 0 DCADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000900119940 663216386 /nfs/dbraw/zinc/21/63/86/663216386.db2.gz SZPKQJBWCQHUDN-KRWDZBQOSA-N 1 3 309.454 0.920 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001000843738 665935897 /nfs/dbraw/zinc/93/58/97/665935897.db2.gz YLFMLIMTZRBQPJ-HZPDHXFCSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001000843738 665935901 /nfs/dbraw/zinc/93/59/01/665935901.db2.gz YLFMLIMTZRBQPJ-HZPDHXFCSA-N 1 3 307.438 0.744 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900687613 663272103 /nfs/dbraw/zinc/27/21/03/663272103.db2.gz UVPJISMZTDCUPQ-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900687613 663272104 /nfs/dbraw/zinc/27/21/04/663272104.db2.gz UVPJISMZTDCUPQ-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000916141 665959989 /nfs/dbraw/zinc/95/99/89/665959989.db2.gz FUBFQDJQHGKBQL-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000916141 665959990 /nfs/dbraw/zinc/95/99/90/665959990.db2.gz FUBFQDJQHGKBQL-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO CNS(=O)(=O)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903213766 663449950 /nfs/dbraw/zinc/44/99/50/663449950.db2.gz SQXRPLRJCZUBKX-QXMXGUDHSA-N 1 3 301.456 0.673 20 0 DCADHO CNS(=O)(=O)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903213766 663449951 /nfs/dbraw/zinc/44/99/51/663449951.db2.gz SQXRPLRJCZUBKX-QXMXGUDHSA-N 1 3 301.456 0.673 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(C)nc(C)n1)C2 ZINC000903492462 663458153 /nfs/dbraw/zinc/45/81/53/663458153.db2.gz FDECXVYMJIPRIU-ZENOOKHLSA-N 1 3 304.394 0.806 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000903747062 663476795 /nfs/dbraw/zinc/47/67/95/663476795.db2.gz OVEXMWZFTJESBM-BFHYXJOUSA-N 1 3 311.426 0.505 20 0 DCADHO c1cnc(N[C@@H]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nc1 ZINC000903763059 663480362 /nfs/dbraw/zinc/48/03/62/663480362.db2.gz HLSACCGGXWPQMD-YCPHGPKFSA-N 1 3 303.410 0.731 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903892981 663493295 /nfs/dbraw/zinc/49/32/95/663493295.db2.gz ZOHPKQOFADDBJB-GFCCVEGCSA-N 1 3 306.401 0.455 20 0 DCADHO FC1(F)CCNC[C@@H]1NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919569 663495488 /nfs/dbraw/zinc/49/54/88/663495488.db2.gz ODUKOWVIHILKEW-JQWIXIFHSA-N 1 3 300.357 0.289 20 0 DCADHO COC[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000903959295 663497903 /nfs/dbraw/zinc/49/79/03/663497903.db2.gz DYNDNWPTJJWDGG-FMKPAKJESA-N 1 3 323.441 0.734 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CCCCC1 ZINC000910946834 663961447 /nfs/dbraw/zinc/96/14/47/663961447.db2.gz QAWKIGWSGJXRJP-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000910946899 663961488 /nfs/dbraw/zinc/96/14/88/663961488.db2.gz RPGSLJKCSFIGEF-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911160895 663995423 /nfs/dbraw/zinc/99/54/23/663995423.db2.gz GGQBVVXWJSDNDL-GJZGRUSLSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000911161792 663995630 /nfs/dbraw/zinc/99/56/30/663995630.db2.gz MOWMVFOBPBWNDO-PBHICJAKSA-N 1 3 322.453 0.189 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911205822 664004613 /nfs/dbraw/zinc/00/46/13/664004613.db2.gz CGOBXXJZKOGQEL-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911258020 664016699 /nfs/dbraw/zinc/01/66/99/664016699.db2.gz LQWXJPABXPDQFA-JHJVBQTASA-N 1 3 310.442 0.077 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911326125 664028657 /nfs/dbraw/zinc/02/86/57/664028657.db2.gz ZSTRSKFFCXEVPX-MJBXVCDLSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911337025 664037617 /nfs/dbraw/zinc/03/76/17/664037617.db2.gz OOPFFTPSSSZCSX-CKEIUWERSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C[NH2+]1 ZINC000911345709 664039967 /nfs/dbraw/zinc/03/99/67/664039967.db2.gz BVOJUBZWQLDMGU-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000911533187 664070504 /nfs/dbraw/zinc/07/05/04/664070504.db2.gz NPMMAYYEUPBCQC-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911533182 664070640 /nfs/dbraw/zinc/07/06/40/664070640.db2.gz NNDQWUNTIGMVFM-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC1(O)CCOCC1 ZINC000912302528 664159736 /nfs/dbraw/zinc/15/97/36/664159736.db2.gz DLDDNVDFMKCERP-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC1(O)CCOCC1 ZINC000912302528 664159738 /nfs/dbraw/zinc/15/97/38/664159738.db2.gz DLDDNVDFMKCERP-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000089149706 664722665 /nfs/dbraw/zinc/72/26/65/664722665.db2.gz ODRFQFZMVVDKCX-GXTWGEPZSA-N 1 3 303.472 0.908 20 0 DCADHO C[C@@H]1COC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500694 664926683 /nfs/dbraw/zinc/92/66/83/664926683.db2.gz PMURCZQNEMBSAH-CJNGLKHVSA-N 1 3 324.469 0.879 20 0 DCADHO O=C(NC1CC[NH+](CCCF)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC001002875739 666238434 /nfs/dbraw/zinc/23/84/34/666238434.db2.gz QMVDCVDXYBDXKP-LSDHHAIUSA-N 1 3 313.417 0.790 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691351817 1157651066 /nfs/dbraw/zinc/65/10/66/1157651066.db2.gz HRZKVLGDHNBJGQ-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001691351817 1157651069 /nfs/dbraw/zinc/65/10/69/1157651069.db2.gz HRZKVLGDHNBJGQ-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1 ZINC000946779141 666651221 /nfs/dbraw/zinc/65/12/21/666651221.db2.gz HMTATQVOTVSNNY-SOUVJXGZSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1 ZINC000946779141 666651223 /nfs/dbraw/zinc/65/12/23/666651223.db2.gz HMTATQVOTVSNNY-SOUVJXGZSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]([NH2+][C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C)C(N)=O ZINC000996309007 666768966 /nfs/dbraw/zinc/76/89/66/666768966.db2.gz GTPVSUUKGYHEQN-OLZOCXBDSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996385443 666780241 /nfs/dbraw/zinc/78/02/41/666780241.db2.gz ICKNUVOTMCDCAD-GXTWGEPZSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033659950 666791024 /nfs/dbraw/zinc/79/10/24/666791024.db2.gz FWGNPGJZDDKJTI-HZPDHXFCSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033659950 666791026 /nfs/dbraw/zinc/79/10/26/666791026.db2.gz FWGNPGJZDDKJTI-HZPDHXFCSA-N 1 3 319.453 0.447 20 0 DCADHO Cn1nccc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996618806 666838822 /nfs/dbraw/zinc/83/88/22/666838822.db2.gz XTAUTYKOFSBMLQ-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1nccc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996618806 666838825 /nfs/dbraw/zinc/83/88/25/666838825.db2.gz XTAUTYKOFSBMLQ-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1)C1CCC1 ZINC000996664140 666850862 /nfs/dbraw/zinc/85/08/62/666850862.db2.gz FXOIMUQLPWBTDZ-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000996680875 666859389 /nfs/dbraw/zinc/85/93/89/666859389.db2.gz VYLDTLNTSCHBQK-LSDHHAIUSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1)N(C)C ZINC000996686517 666863566 /nfs/dbraw/zinc/86/35/66/666863566.db2.gz BZWGLPOREDHSFP-HNNXBMFYSA-N 1 3 322.457 0.482 20 0 DCADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC)C1 ZINC001033905284 666864110 /nfs/dbraw/zinc/86/41/10/666864110.db2.gz KEOBAUJGTIRCBC-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC)C1 ZINC001033905284 666864112 /nfs/dbraw/zinc/86/41/12/666864112.db2.gz KEOBAUJGTIRCBC-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000996713270 666870693 /nfs/dbraw/zinc/87/06/93/666870693.db2.gz RYBDWSRFYJQYGC-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CCCCC1 ZINC000861728151 666967310 /nfs/dbraw/zinc/96/73/10/666967310.db2.gz CVUSGGBZZFGLMG-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC000996997840 667063381 /nfs/dbraw/zinc/06/33/81/667063381.db2.gz HQGYLQPRIRMHSH-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997008410 667071290 /nfs/dbraw/zinc/07/12/90/667071290.db2.gz MACPVKHJUQHNRB-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997008410 667071291 /nfs/dbraw/zinc/07/12/91/667071291.db2.gz MACPVKHJUQHNRB-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC000997039513 667085112 /nfs/dbraw/zinc/08/51/12/667085112.db2.gz DDHLSQOYAXPIDG-UHFFFAOYSA-N 1 3 302.382 0.467 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN([C@@H]3CC(=O)N(CCCO)C3=O)C2)CC1 ZINC000840741821 667098268 /nfs/dbraw/zinc/09/82/68/667098268.db2.gz ZTYMVCFKTAUPEQ-HUUCEWRRSA-N 1 3 323.437 0.160 20 0 DCADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032409638 667183200 /nfs/dbraw/zinc/18/32/00/667183200.db2.gz VYZPGYKUHBUXLG-GJZGRUSLSA-N 1 3 319.453 0.999 20 0 DCADHO C[C@]1(NC(=O)C2C[NH+](C3CCOCC3)C2)CN2CCC1CC2 ZINC000864085274 667213626 /nfs/dbraw/zinc/21/36/26/667213626.db2.gz ULOXZMOVAGBYDK-KRWDZBQOSA-N 1 3 307.438 0.698 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997195388 667218701 /nfs/dbraw/zinc/21/87/01/667218701.db2.gz WGBVSUUFRCFSOL-UHFFFAOYSA-N 1 3 317.437 0.597 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001035036209 667222784 /nfs/dbraw/zinc/22/27/84/667222784.db2.gz IMVOQNHJMGWFEI-CQSZACIVSA-N 1 3 320.441 0.238 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001035052221 667230078 /nfs/dbraw/zinc/23/00/78/667230078.db2.gz JLKJXKCAWBEJBO-RDBSUJKOSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001035102099 667239682 /nfs/dbraw/zinc/23/96/82/667239682.db2.gz JRKYVZRWMXVMLS-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001035102099 667239684 /nfs/dbraw/zinc/23/96/84/667239684.db2.gz JRKYVZRWMXVMLS-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)cn1 ZINC001035125400 667251823 /nfs/dbraw/zinc/25/18/23/667251823.db2.gz HJARUKPEZNTNOX-MRXNPFEDSA-N 1 3 317.437 0.961 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC001036205746 667429915 /nfs/dbraw/zinc/42/99/15/667429915.db2.gz NOJNQLQAIKBYIY-WFASDCNBSA-N 1 3 316.409 0.713 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867573096 667470459 /nfs/dbraw/zinc/47/04/59/667470459.db2.gz XCSKKPYDMZBCNO-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867573096 667470460 /nfs/dbraw/zinc/47/04/60/667470460.db2.gz XCSKKPYDMZBCNO-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO COCC[C@@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000884186093 667492687 /nfs/dbraw/zinc/49/26/87/667492687.db2.gz PWWAEJCXEFTFNO-OAHLLOKOSA-N 1 3 309.410 0.607 20 0 DCADHO COCC[C@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000884345486 667528837 /nfs/dbraw/zinc/52/88/37/667528837.db2.gz HHLFRUDSBLFNMJ-ILXRZTDVSA-N 1 3 309.385 0.833 20 0 DCADHO CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CCN(CCO)CC1 ZINC001006120783 667551243 /nfs/dbraw/zinc/55/12/43/667551243.db2.gz RNKAZHVXQXIHBA-HZPDHXFCSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CCN(CCO)CC1 ZINC001006120783 667551246 /nfs/dbraw/zinc/55/12/46/667551246.db2.gz RNKAZHVXQXIHBA-HZPDHXFCSA-N 1 3 309.454 0.918 20 0 DCADHO NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521006 667553066 /nfs/dbraw/zinc/55/30/66/667553066.db2.gz XLKWNHSHGCBXNW-UONOGXRCSA-N 1 3 316.405 0.655 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000923528471 667555312 /nfs/dbraw/zinc/55/53/12/667555312.db2.gz WRRXIQXLHDIRCL-GJZGRUSLSA-N 1 3 319.405 0.492 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868407228 667567757 /nfs/dbraw/zinc/56/77/57/667567757.db2.gz SQJXELXHOQBJBT-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCC1(C)C ZINC000884723931 667600927 /nfs/dbraw/zinc/60/09/27/667600927.db2.gz DETIVFSRJAGSIJ-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000884787541 667607118 /nfs/dbraw/zinc/60/71/18/667607118.db2.gz VKTNOYFNXXFFEQ-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[NH2+]1 ZINC000884819775 667610847 /nfs/dbraw/zinc/61/08/47/667610847.db2.gz JCCKGQOWPAZXJR-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884967286 667628944 /nfs/dbraw/zinc/62/89/44/667628944.db2.gz DSPVRYRMAFCSDK-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923620926 667745624 /nfs/dbraw/zinc/74/56/24/667745624.db2.gz HDZHCQGBWDHZGX-MCIONIFRSA-N 1 3 301.456 0.627 20 0 DCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCNCC1 ZINC000923623379 667763516 /nfs/dbraw/zinc/76/35/16/667763516.db2.gz BDSIHXKDSPSUQV-MJBXVCDLSA-N 1 3 318.487 0.092 20 0 DCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)N1CCNCC1 ZINC000923623379 667763519 /nfs/dbraw/zinc/76/35/19/667763519.db2.gz BDSIHXKDSPSUQV-MJBXVCDLSA-N 1 3 318.487 0.092 20 0 DCADHO CN1CCN(CCCCNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870865752 667767739 /nfs/dbraw/zinc/76/77/39/667767739.db2.gz IAJJMWGKDVMCHD-UHFFFAOYSA-N 1 3 308.470 0.662 20 0 DCADHO CN1CCCN(c2nccc(N3CCC[N@H+](C)CC3)n2)CC1 ZINC000742372363 667790551 /nfs/dbraw/zinc/79/05/51/667790551.db2.gz XLLKMBDCVNPDJT-UHFFFAOYSA-N 1 3 304.442 0.760 20 0 DCADHO CN1CCCN(c2nccc(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000742372363 667790552 /nfs/dbraw/zinc/79/05/52/667790552.db2.gz XLLKMBDCVNPDJT-UHFFFAOYSA-N 1 3 304.442 0.760 20 0 DCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCCC(=O)NC(N)=O ZINC000887133065 667853123 /nfs/dbraw/zinc/85/31/23/667853123.db2.gz SKIOAGGMZUFRRC-LBPRGKRZSA-N 1 3 305.382 0.567 20 0 DCADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)CCCF)C1 ZINC000887136446 667854004 /nfs/dbraw/zinc/85/40/04/667854004.db2.gz UIHYUTVCCSORGG-AWEZNQCLSA-N 1 3 303.422 0.751 20 0 DCADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)CCCF)C1 ZINC000887136446 667854006 /nfs/dbraw/zinc/85/40/06/667854006.db2.gz UIHYUTVCCSORGG-AWEZNQCLSA-N 1 3 303.422 0.751 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000872197154 667874151 /nfs/dbraw/zinc/87/41/51/667874151.db2.gz SYLBNYJNBYGMIE-CQSZACIVSA-N 1 3 312.458 0.517 20 0 DCADHO CN1CCN(C(C)(C)CNC(=S)NCC[NH+](C)C)CC1 ZINC000874068564 668144497 /nfs/dbraw/zinc/14/44/97/668144497.db2.gz PGBBXUBJVOSSKO-UHFFFAOYSA-N 1 3 301.504 0.038 20 0 DCADHO CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000925292164 668290030 /nfs/dbraw/zinc/29/00/30/668290030.db2.gz IVRPAHAXOZXKIA-UONOGXRCSA-N 1 3 308.426 0.877 20 0 DCADHO CC[N@H+]1CCC[C@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000925292164 668290032 /nfs/dbraw/zinc/29/00/32/668290032.db2.gz IVRPAHAXOZXKIA-UONOGXRCSA-N 1 3 308.426 0.877 20 0 DCADHO [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2NCc1nnnn1-c1ccccc1 ZINC000925711313 668342065 /nfs/dbraw/zinc/34/20/65/668342065.db2.gz ZUGNDNMYZUFSRD-WTHWONHRSA-N 1 3 314.393 0.504 20 0 DCADHO CC1(C)[NH2+]CC[C@@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000925721133 668342834 /nfs/dbraw/zinc/34/28/34/668342834.db2.gz AMRLYSMSGJXPIC-HNNXBMFYSA-N 1 3 300.410 0.956 20 0 DCADHO O=C1NCCN1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925776702 668347512 /nfs/dbraw/zinc/34/75/12/668347512.db2.gz HXUYNTUDYOMTTD-WMLDXEAASA-N 1 3 316.405 0.857 20 0 DCADHO C[C@@H](NCCN1Cc2ccccc2OCC1=O)[C@@H]1CC[NH2+]C1 ZINC000925806039 668351149 /nfs/dbraw/zinc/35/11/49/668351149.db2.gz NUCWYOLEMCRRPN-ZIAGYGMSSA-N 1 3 303.406 0.995 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000926319919 668394112 /nfs/dbraw/zinc/39/41/12/668394112.db2.gz JSVXHRXIIDZXIM-LSDHHAIUSA-N 1 3 324.469 0.372 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927293722 668460153 /nfs/dbraw/zinc/46/01/53/668460153.db2.gz KOJQYDGMKDCDJC-BDVYOWHSSA-N 1 3 324.469 0.759 20 0 DCADHO O[C@H](CNC1CC[NH+](CCN2CCOCC2)CC1)c1ccco1 ZINC000764769210 668461676 /nfs/dbraw/zinc/46/16/76/668461676.db2.gz PGRVDWDWUPWSCQ-MRXNPFEDSA-N 1 3 323.437 0.699 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000876718450 668495004 /nfs/dbraw/zinc/49/50/04/668495004.db2.gz USFTYCHWGOWYDX-UHFFFAOYSA-N 1 3 305.426 0.969 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000876782482 668510663 /nfs/dbraw/zinc/51/06/63/668510663.db2.gz SQUQWLAICCRLEC-JLFNIVIISA-N 1 3 322.497 0.788 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000876863344 668522993 /nfs/dbraw/zinc/52/29/93/668522993.db2.gz BGCNQWHLIVZMJN-QWHCGFSZSA-N 1 3 313.348 0.678 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)C2)nn1 ZINC000876918370 668535483 /nfs/dbraw/zinc/53/54/83/668535483.db2.gz JGVFSCHBYCHDTM-FMKPAKJESA-N 1 3 318.425 0.433 20 0 DCADHO Cc1cc([C@H](N)CC(=O)N(C)CCOCC[NH3+])cc(Cl)n1 ZINC000877057869 668558304 /nfs/dbraw/zinc/55/83/04/668558304.db2.gz QLGUPUASJIFGJU-GFCCVEGCSA-N 1 3 314.817 0.867 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)C3=NO[C@@H](C[NH3+])C3)C2)cc1 ZINC000877220549 668577900 /nfs/dbraw/zinc/57/79/00/668577900.db2.gz HAMYFOZMSNALHL-HUUCEWRRSA-N 1 3 316.405 0.789 20 0 DCADHO CCC1([NH+]2CCC2)CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923672810 668722391 /nfs/dbraw/zinc/72/23/91/668722391.db2.gz GLAUEYCXLLFPDB-UHFFFAOYSA-N 1 3 316.471 0.087 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC1 ZINC000929713938 668723625 /nfs/dbraw/zinc/72/36/25/668723625.db2.gz ZJEAHKSLYCKPNB-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)NCCN1CCC(C)(C)C1)C1CC1 ZINC000929713938 668723628 /nfs/dbraw/zinc/72/36/28/668723628.db2.gz ZJEAHKSLYCKPNB-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C[C@@]1(O)CCOC1 ZINC000930061213 668949925 /nfs/dbraw/zinc/94/99/25/668949925.db2.gz PCTQMGHCSWFJLI-SPUZQDLCSA-N 1 3 324.465 0.838 20 0 DCADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[C@@]1(O)CCOC1 ZINC000930061213 668949928 /nfs/dbraw/zinc/94/99/28/668949928.db2.gz PCTQMGHCSWFJLI-SPUZQDLCSA-N 1 3 324.465 0.838 20 0 DCADHO CN1C[C@]2(C)C[NH+](CCC(=O)N3CCN(C)CC3)C[C@@]2(C)C1 ZINC000931314421 669177698 /nfs/dbraw/zinc/17/76/98/669177698.db2.gz OJPKZYCKCSDHGH-IAGOWNOFSA-N 1 3 308.470 0.424 20 0 DCADHO CN1CCN(C(=O)CCN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)CC1 ZINC000931314421 669177702 /nfs/dbraw/zinc/17/77/02/669177702.db2.gz OJPKZYCKCSDHGH-IAGOWNOFSA-N 1 3 308.470 0.424 20 0 DCADHO C[NH+](C)CC1(O)CCN(C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000931479794 669210053 /nfs/dbraw/zinc/21/00/53/669210053.db2.gz BTMRXRLADSIWSR-DLBZAZTESA-N 1 3 322.449 0.860 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000889333078 669783481 /nfs/dbraw/zinc/78/34/81/669783481.db2.gz SBXYAUYKIRNOLK-RRFJBIMHSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000889333078 669783487 /nfs/dbraw/zinc/78/34/87/669783487.db2.gz SBXYAUYKIRNOLK-RRFJBIMHSA-N 1 3 314.474 0.813 20 0 DCADHO O[C@H](CN1CCC[C@H](CN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000801569111 670135658 /nfs/dbraw/zinc/13/56/58/670135658.db2.gz CMZLWNZPNYNEGM-SJORKVTESA-N 1 3 311.470 0.487 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000951238222 670223204 /nfs/dbraw/zinc/22/32/04/670223204.db2.gz KIUCUJIDJQKJBV-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000855345482 670700848 /nfs/dbraw/zinc/70/08/48/670700848.db2.gz BOGGMPIXQGBGNJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000855345482 670700853 /nfs/dbraw/zinc/70/08/53/670700853.db2.gz BOGGMPIXQGBGNJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848993626 670747199 /nfs/dbraw/zinc/74/71/99/670747199.db2.gz VUTIVOGRPKEECS-UHFFFAOYSA-N 1 3 317.437 0.901 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=[NH2+])N2CCC2)c1 ZINC000848999000 670747590 /nfs/dbraw/zinc/74/75/90/670747590.db2.gz UEPOYAKAGLYPDR-UHFFFAOYSA-N 1 3 303.410 0.708 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CC(N)=O)cc1 ZINC000849029331 670752418 /nfs/dbraw/zinc/75/24/18/670752418.db2.gz QMACIUFNAGGYCF-HNNXBMFYSA-N 1 3 317.437 0.813 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849613144 670827395 /nfs/dbraw/zinc/82/73/95/670827395.db2.gz PHEAUHFMVMIHRY-CFVMTHIKSA-N 1 3 307.442 0.522 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859523491 671123244 /nfs/dbraw/zinc/12/32/44/671123244.db2.gz XCFOVSAMVWZJGV-HOTGVXAUSA-N 1 3 314.470 0.941 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859523491 671123247 /nfs/dbraw/zinc/12/32/47/671123247.db2.gz XCFOVSAMVWZJGV-HOTGVXAUSA-N 1 3 314.470 0.941 20 0 DCADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(s1)CCNC2 ZINC000852797801 671161592 /nfs/dbraw/zinc/16/15/92/671161592.db2.gz BPZNBIWCJGGLGL-STQMWFEESA-N 1 3 321.446 0.987 20 0 DCADHO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(s1)CCNC2 ZINC000852797801 671161594 /nfs/dbraw/zinc/16/15/94/671161594.db2.gz BPZNBIWCJGGLGL-STQMWFEESA-N 1 3 321.446 0.987 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)=NO1 ZINC000852909274 671193304 /nfs/dbraw/zinc/19/33/04/671193304.db2.gz PUPDGPMTOKMMLM-GXTWGEPZSA-N 1 3 304.350 0.390 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000823863297 671411828 /nfs/dbraw/zinc/41/18/28/671411828.db2.gz DGYUXVMAOVCWJF-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO Cc1c(C(=O)NCCN2CCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000831970927 671694432 /nfs/dbraw/zinc/69/44/32/671694432.db2.gz OKSVNTJIGSQMNS-LBPRGKRZSA-N 1 3 320.441 0.725 20 0 DCADHO COCC[NH2+]CCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000834408234 671759100 /nfs/dbraw/zinc/75/91/00/671759100.db2.gz MWKMRQMOQAUEDN-LBPRGKRZSA-N 1 3 314.817 0.786 20 0 DCADHO Cc1nn(C)c2nc(Cl)c(CNCCN3CC[NH2+]CC3)cc12 ZINC000841043928 671909932 /nfs/dbraw/zinc/90/99/32/671909932.db2.gz ZKQQOFJIHWEIET-UHFFFAOYSA-N 1 3 322.844 0.925 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841791092 671956021 /nfs/dbraw/zinc/95/60/21/671956021.db2.gz NBZQVOJZOGLGPP-YJNKXOJESA-N 1 3 310.442 0.761 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842015125 671973915 /nfs/dbraw/zinc/97/39/15/671973915.db2.gz GYQJAAYVDZSZED-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842014503 671974096 /nfs/dbraw/zinc/97/40/96/671974096.db2.gz CJDLNGISYJSBHA-MCIONIFRSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000842016374 671974517 /nfs/dbraw/zinc/97/45/17/671974517.db2.gz UXVIBFJJSFBODN-HZSPNIEDSA-N 1 3 310.442 0.363 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843259906 672076322 /nfs/dbraw/zinc/07/63/22/672076322.db2.gz SOTJCEFUSNQCMN-UHFFFAOYSA-N 1 3 312.458 0.470 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843488590 672103828 /nfs/dbraw/zinc/10/38/28/672103828.db2.gz GNMVNLKFSFXSNI-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000844222986 672165378 /nfs/dbraw/zinc/16/53/78/672165378.db2.gz QBNJZAWEFAGHTJ-UHFFFAOYSA-N 1 3 305.426 0.454 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691555405 1158338345 /nfs/dbraw/zinc/33/83/45/1158338345.db2.gz CXBXJKGXECBROK-CQSZACIVSA-N 1 3 307.442 0.618 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691555405 1158338351 /nfs/dbraw/zinc/33/83/51/1158338351.db2.gz CXBXJKGXECBROK-CQSZACIVSA-N 1 3 307.442 0.618 20 0 DCADHO CC(C)COC[C@@H](O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879591131 685399414 /nfs/dbraw/zinc/39/94/14/685399414.db2.gz KAINIONCUHDUBX-KRWDZBQOSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3CCCN3C)C2)C1 ZINC000953904592 685895429 /nfs/dbraw/zinc/89/54/29/685895429.db2.gz GCXZGFDVJHSXPT-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(N(C)C(=O)[C@H]3CCCN3C)C2)C1 ZINC000953904592 685895432 /nfs/dbraw/zinc/89/54/32/685895432.db2.gz GCXZGFDVJHSXPT-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC000960086841 688295977 /nfs/dbraw/zinc/29/59/77/688295977.db2.gz LAHISVAPNUWPAI-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)cc1 ZINC000961774802 688729826 /nfs/dbraw/zinc/72/98/26/688729826.db2.gz TWMPANYHDGRXCE-FVQHAEBGSA-N 1 3 317.433 0.443 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3cnnn3C)C2)C1 ZINC000962309964 688879555 /nfs/dbraw/zinc/87/95/55/688879555.db2.gz QXPNOWXLZNNQMN-HSBZDZAISA-N 1 3 320.441 0.141 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000962539907 688936236 /nfs/dbraw/zinc/93/62/36/688936236.db2.gz LIXJZXFLWLNMSD-VQCLRJIVSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000962539907 688936239 /nfs/dbraw/zinc/93/62/39/688936239.db2.gz LIXJZXFLWLNMSD-VQCLRJIVSA-N 1 3 319.453 0.746 20 0 DCADHO CC1(C)CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000965063710 689347714 /nfs/dbraw/zinc/34/77/14/689347714.db2.gz LLYVKPCAHJMFNJ-UHFFFAOYSA-N 1 3 322.453 0.221 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCOCC2)C1 ZINC001039027259 694278650 /nfs/dbraw/zinc/27/86/50/694278650.db2.gz JIOJYIMRRPQSJG-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCOCC2)C1 ZINC001039027259 694278653 /nfs/dbraw/zinc/27/86/53/694278653.db2.gz JIOJYIMRRPQSJG-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO CCN1CC[C@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966167212 689664033 /nfs/dbraw/zinc/66/40/33/689664033.db2.gz MEBOGXRXNYXMQB-DZGCQCFKSA-N 1 3 307.442 0.905 20 0 DCADHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000967924580 690123271 /nfs/dbraw/zinc/12/32/71/690123271.db2.gz JTMHYDSKSPPOBR-CABCVRRESA-N 1 3 318.421 0.875 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001039407243 694358724 /nfs/dbraw/zinc/35/87/24/694358724.db2.gz GJRPJKCFVVVRMU-OWQJAQGESA-N 1 3 319.449 0.935 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001039407243 694358727 /nfs/dbraw/zinc/35/87/27/694358727.db2.gz GJRPJKCFVVVRMU-OWQJAQGESA-N 1 3 319.449 0.935 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CCC1 ZINC000968907075 690420851 /nfs/dbraw/zinc/42/08/51/690420851.db2.gz DSOORNYJQUHSGA-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC000969074592 690463984 /nfs/dbraw/zinc/46/39/84/690463984.db2.gz KDMCOKXOGWGLSQ-HUUCEWRRSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCO)C3)C1 ZINC001040395394 694545870 /nfs/dbraw/zinc/54/58/70/694545870.db2.gz PHRGBHJMLWRINH-WBVHZDCISA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCO)C3)C1 ZINC001040395394 694545875 /nfs/dbraw/zinc/54/58/75/694545875.db2.gz PHRGBHJMLWRINH-WBVHZDCISA-N 1 3 309.454 0.635 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@@H+](CCCO)C2 ZINC001040422532 694549207 /nfs/dbraw/zinc/54/92/07/694549207.db2.gz NGPMFULDOBDOBA-MRXNPFEDSA-N 1 3 306.410 0.649 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@H+](CCCO)C2 ZINC001040422532 694549208 /nfs/dbraw/zinc/54/92/08/694549208.db2.gz NGPMFULDOBDOBA-MRXNPFEDSA-N 1 3 306.410 0.649 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC001018966287 693300240 /nfs/dbraw/zinc/30/02/40/693300240.db2.gz FWPOJEGSRIFLHI-LSDHHAIUSA-N 1 3 305.426 0.451 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001019469732 693483765 /nfs/dbraw/zinc/48/37/65/693483765.db2.gz LCYPOGOKJDRUAR-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001019560514 693522256 /nfs/dbraw/zinc/52/22/56/693522256.db2.gz JWYJNGKMJPGLIP-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001019810736 693591713 /nfs/dbraw/zinc/59/17/13/693591713.db2.gz HGBBYROKIDLMJF-DOMZBBRYSA-N 1 3 318.421 0.426 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2)N(C)C ZINC001072989965 694692120 /nfs/dbraw/zinc/69/21/20/694692120.db2.gz QOTLDHIEIPZJGX-GJZGRUSLSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2)N(C)C ZINC001072989965 694692121 /nfs/dbraw/zinc/69/21/21/694692121.db2.gz QOTLDHIEIPZJGX-GJZGRUSLSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@@H]1C)N(C)C ZINC001074710644 694918381 /nfs/dbraw/zinc/91/83/81/694918381.db2.gz BIWUPTZIWZZZRY-AEGPPILISA-N 1 3 307.442 0.839 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001075154836 694940140 /nfs/dbraw/zinc/94/01/40/694940140.db2.gz BWJIUXDOGOIWDC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC001076567923 695028440 /nfs/dbraw/zinc/02/84/40/695028440.db2.gz MYNXLIGJLVYDTH-ARFHVFGLSA-N 1 3 317.437 0.368 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC001076567923 695028441 /nfs/dbraw/zinc/02/84/41/695028441.db2.gz MYNXLIGJLVYDTH-ARFHVFGLSA-N 1 3 317.437 0.368 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)C[C@H]3COCCN3)CC2)CC1 ZINC001771743497 1158257956 /nfs/dbraw/zinc/25/79/56/1158257956.db2.gz DWCZAJIDBFSBBR-HNNXBMFYSA-N 1 3 324.469 0.040 20 0 DCADHO CN(CC[NH2+]CCn1cc(Cl)cn1)C(=O)CN1CCCC1 ZINC001691603327 1158352640 /nfs/dbraw/zinc/35/26/40/1158352640.db2.gz ZQKQCKNINBXYTH-UHFFFAOYSA-N 1 3 313.833 0.680 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C34CCC(CC3)[NH2+]4)C2)nn1 ZINC001649007435 1158412435 /nfs/dbraw/zinc/41/24/35/1158412435.db2.gz KYRVEBNAVYAMCL-QRJNDHJOSA-N 1 3 304.398 0.185 20 0 DCADHO N[C@H]1CCc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc2NC1=O ZINC001649124489 1158717227 /nfs/dbraw/zinc/71/72/27/1158717227.db2.gz AWXYKAVFOVZLNB-DDHJSBNISA-N 1 3 314.389 0.521 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001720111193 1159077959 /nfs/dbraw/zinc/07/79/59/1159077959.db2.gz LIBHXVLUHLFXKQ-HUUCEWRRSA-N 1 3 324.469 0.147 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001439040466 1159278882 /nfs/dbraw/zinc/27/88/82/1159278882.db2.gz AONVXKVDUSXNPM-QWHCGFSZSA-N 1 3 324.425 0.142 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001446258840 1159375114 /nfs/dbraw/zinc/37/51/14/1159375114.db2.gz UCNPKWZHEWZLPQ-ZDUSSCGKSA-N 1 3 320.441 0.346 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001446441488 1159417316 /nfs/dbraw/zinc/41/73/16/1159417316.db2.gz UAMDAASMTVVVHD-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](CNCC(N)=O)C1CCCC1)[NH+](C)C ZINC001446493276 1159432669 /nfs/dbraw/zinc/43/26/69/1159432669.db2.gz ALNKVTQZOXBASC-UKRRQHHQSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001447576179 1159665067 /nfs/dbraw/zinc/66/50/67/1159665067.db2.gz XUJUGXGQSSMLLL-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001453218830 1159751876 /nfs/dbraw/zinc/75/18/76/1159751876.db2.gz YOUQOFWPDXBKDF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001453218830 1159751882 /nfs/dbraw/zinc/75/18/82/1159751882.db2.gz YOUQOFWPDXBKDF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)NCCCN(C1CC1)[C@@H]1CCNC1=O)[NH+](C)C ZINC001566602054 1160089606 /nfs/dbraw/zinc/08/96/06/1160089606.db2.gz JSJUIUMRNVQHLX-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001566844351 1160166301 /nfs/dbraw/zinc/16/63/01/1160166301.db2.gz HUHHBSVIJSWOPR-HZSPNIEDSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2cncn2C)CC[N@@H+]1C ZINC001567549976 1160417394 /nfs/dbraw/zinc/41/73/94/1160417394.db2.gz XHPKZVHVANMGCW-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCc2cncn2C)CC[N@H+]1C ZINC001567549976 1160417398 /nfs/dbraw/zinc/41/73/98/1160417398.db2.gz XHPKZVHVANMGCW-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001567555254 1160419314 /nfs/dbraw/zinc/41/93/14/1160419314.db2.gz FDUMWYYHHJMKOL-UHFFFAOYSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001568262024 1160615595 /nfs/dbraw/zinc/61/55/95/1160615595.db2.gz AAUMKMWUDZFMDX-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)[C@@H](C)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001568911468 1160860293 /nfs/dbraw/zinc/86/02/93/1160860293.db2.gz FHLJCBOMLYIOHF-GEXIGZQTSA-N 1 3 324.469 0.505 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568928732 1160872926 /nfs/dbraw/zinc/87/29/26/1160872926.db2.gz RFPZITITPGAYFU-BEWKBBBFSA-N 1 3 324.469 0.647 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)NC(=O)CN(C)C1CCC1 ZINC001569062081 1160931141 /nfs/dbraw/zinc/93/11/41/1160931141.db2.gz QTGCNVSTYGMPPZ-ZDUSSCGKSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC001573646707 1163521672 /nfs/dbraw/zinc/52/16/72/1163521672.db2.gz VIPABHZFESKASP-MCIONIFRSA-N 1 3 303.472 0.778 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001574284428 1163684344 /nfs/dbraw/zinc/68/43/44/1163684344.db2.gz OVAVYIRCTINKHT-IRXDYDNUSA-N 1 3 317.433 0.614 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001574284428 1163684346 /nfs/dbraw/zinc/68/43/46/1163684346.db2.gz OVAVYIRCTINKHT-IRXDYDNUSA-N 1 3 317.433 0.614 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001575138705 1163912253 /nfs/dbraw/zinc/91/22/53/1163912253.db2.gz BMUFBSYCQLQDAQ-OAHLLOKOSA-N 1 3 324.404 0.251 20 0 DCADHO C[C@H](CCCNCc1cn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575531080 1164050372 /nfs/dbraw/zinc/05/03/72/1164050372.db2.gz TUQKMONUXSWGPV-RDBSUJKOSA-N 1 3 322.457 0.910 20 0 DCADHO C[C@H](CCCNCc1cn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575531080 1164050378 /nfs/dbraw/zinc/05/03/78/1164050378.db2.gz TUQKMONUXSWGPV-RDBSUJKOSA-N 1 3 322.457 0.910 20 0 DCADHO C[C@H](CC(=O)N[C@H](CO)CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001575920945 1164185134 /nfs/dbraw/zinc/18/51/34/1164185134.db2.gz HLJXNSFMLVJKMF-PMPSAXMXSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)cc1 ZINC001576166177 1164258371 /nfs/dbraw/zinc/25/83/71/1164258371.db2.gz ZPRVDLVOXNLCJC-UHOFOFEASA-N 1 3 303.406 0.987 20 0 DCADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC001576238636 1164278570 /nfs/dbraw/zinc/27/85/70/1164278570.db2.gz IHIZVDFEQAATIH-SUMWQHHRSA-N 1 3 317.433 0.662 20 0 DCADHO CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(CCc2cn[nH]n2)C1 ZINC001576517407 1164374905 /nfs/dbraw/zinc/37/49/05/1164374905.db2.gz NQDNMVRIYBUTHU-OAHLLOKOSA-N 1 3 322.457 0.612 20 0 DCADHO CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CCN(CCc2cn[nH]n2)C1 ZINC001576517407 1164374910 /nfs/dbraw/zinc/37/49/10/1164374910.db2.gz NQDNMVRIYBUTHU-OAHLLOKOSA-N 1 3 322.457 0.612 20 0 DCADHO CC1([NH3+])CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001576532078 1164383201 /nfs/dbraw/zinc/38/32/01/1164383201.db2.gz XQVUUJNNTIVABK-AWEZNQCLSA-N 1 3 310.442 0.763 20 0 DCADHO C[C@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC001576732500 1164445390 /nfs/dbraw/zinc/44/53/90/1164445390.db2.gz WONOWLRDUKLVLB-GXTWGEPZSA-N 1 3 311.451 0.793 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cn[nH]n2)CC[N@@H+]1C ZINC001577186333 1164627059 /nfs/dbraw/zinc/62/70/59/1164627059.db2.gz KYOHVHGMYJOPHM-NMFUWQPSSA-N 1 3 320.441 0.662 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cn[nH]n2)CC[N@H+]1C ZINC001577186333 1164627063 /nfs/dbraw/zinc/62/70/63/1164627063.db2.gz KYOHVHGMYJOPHM-NMFUWQPSSA-N 1 3 320.441 0.662 20 0 DCADHO CC[C@@H]1CN(c2nnc(C)n2CCN(C)CCOC)CC[C@@H]1[NH3+] ZINC001577293133 1164661266 /nfs/dbraw/zinc/66/12/66/1164661266.db2.gz YLUMZDISFHBYBK-CABCVRRESA-N 1 3 324.473 0.728 20 0 DCADHO CCCN1C[C@@H](C[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CC1=O ZINC001577530874 1164716071 /nfs/dbraw/zinc/71/60/71/1164716071.db2.gz PDZIIADJLGIULE-HUUCEWRRSA-N 1 3 321.469 0.694 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001577778127 1164792004 /nfs/dbraw/zinc/79/20/04/1164792004.db2.gz GDYWPPPSBBDVKG-QXSJWSMHSA-N 1 3 308.470 0.232 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CCc2c[nH]nn2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001578023256 1164897300 /nfs/dbraw/zinc/89/73/00/1164897300.db2.gz QQPKLTHQGMKTNR-YVECIDJPSA-N 1 3 315.381 0.111 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1(C)C ZINC001578090663 1164921444 /nfs/dbraw/zinc/92/14/44/1164921444.db2.gz PEGGEBRLZFSYKF-OSRSDYAFSA-N 1 3 309.454 0.929 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1(C)C ZINC001578090663 1164921452 /nfs/dbraw/zinc/92/14/52/1164921452.db2.gz PEGGEBRLZFSYKF-OSRSDYAFSA-N 1 3 309.454 0.929 20 0 DCADHO CN(C)[C@H](CNC(=O)c1cnnn1C1C[NH2+]C1)c1ccccc1 ZINC001578409306 1165003744 /nfs/dbraw/zinc/00/37/44/1165003744.db2.gz WOOLOPVMOBFNFB-CQSZACIVSA-N 1 3 314.393 0.455 20 0 DCADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H](F)C1C[NH2+]C1 ZINC001578412332 1165004248 /nfs/dbraw/zinc/00/42/48/1165004248.db2.gz LOEJJHKGTGDJAL-KGLIPLIRSA-N 1 3 313.417 0.646 20 0 DCADHO C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@]1(O)CCCNC1 ZINC001578468095 1165026479 /nfs/dbraw/zinc/02/64/79/1165026479.db2.gz FALLKAPYXGYXEG-HNNXBMFYSA-N 1 3 301.431 0.948 20 0 DCADHO C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@]1(O)CCCNC1 ZINC001578468095 1165026486 /nfs/dbraw/zinc/02/64/86/1165026486.db2.gz FALLKAPYXGYXEG-HNNXBMFYSA-N 1 3 301.431 0.948 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC001578528690 1165045352 /nfs/dbraw/zinc/04/53/52/1165045352.db2.gz KLBMBUUUTLPXAN-OAHLLOKOSA-N 1 3 323.485 0.406 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC001578644372 1165076200 /nfs/dbraw/zinc/07/62/00/1165076200.db2.gz HWAVAARWLXZQGI-FZMZJTMJSA-N 1 3 309.410 0.912 20 0 DCADHO CNC[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001578652162 1165081501 /nfs/dbraw/zinc/08/15/01/1165081501.db2.gz FQIHEAICMBVDEH-INIZCTEOSA-N 1 3 305.422 0.803 20 0 DCADHO CNC[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001578652162 1165081510 /nfs/dbraw/zinc/08/15/10/1165081510.db2.gz FQIHEAICMBVDEH-INIZCTEOSA-N 1 3 305.422 0.803 20 0 DCADHO COC[C@@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001578970055 1165173274 /nfs/dbraw/zinc/17/32/74/1165173274.db2.gz JNRKFVOMTUNYHP-GDBMZVCRSA-N 1 3 323.441 0.734 20 0 DCADHO COCn1ncc(C)c1CNC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001579098869 1165207351 /nfs/dbraw/zinc/20/73/51/1165207351.db2.gz RVWRWZDQYCEWRG-ZDUSSCGKSA-N 1 3 322.409 0.570 20 0 DCADHO COc1ccc([C@H](CN(C)C)NC(=O)CC2(O)C[NH2+]C2)cc1 ZINC001579194004 1165235232 /nfs/dbraw/zinc/23/52/32/1165235232.db2.gz JGJLTCGVVPFYEN-AWEZNQCLSA-N 1 3 307.394 0.139 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001579456972 1165315575 /nfs/dbraw/zinc/31/55/75/1165315575.db2.gz GECLXINGPFOOCT-CABCVRRESA-N 1 3 323.485 0.263 20 0 DCADHO Cn1nc2c(c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1)CCCC2 ZINC001579997801 1165465173 /nfs/dbraw/zinc/46/51/73/1165465173.db2.gz CCQWNSDUUVYQIA-CYBMUJFWSA-N 1 3 319.453 0.586 20 0 DCADHO N[C@H](C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1)C1CCC1 ZINC001580108167 1165506563 /nfs/dbraw/zinc/50/65/63/1165506563.db2.gz AISGIOSKTMYXBV-HNNXBMFYSA-N 1 3 309.454 0.953 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)C1 ZINC001580211011 1165537961 /nfs/dbraw/zinc/53/79/61/1165537961.db2.gz SNGZJBAKSARUTO-QILLFSRXSA-N 1 3 317.433 0.824 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001580657754 1165676993 /nfs/dbraw/zinc/67/69/93/1165676993.db2.gz BBURDKHFCMOFQB-RDJZCZTQSA-N 1 3 318.421 0.285 20 0 DCADHO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](C[C@@]2(O)CCCNC2)C1 ZINC001580722216 1165700440 /nfs/dbraw/zinc/70/04/40/1165700440.db2.gz WBGOQRXSIUOCNU-SJLPKXTDSA-N 1 3 317.433 0.739 20 0 DCADHO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](C[C@@]2(O)CCCNC2)C1 ZINC001580722216 1165700447 /nfs/dbraw/zinc/70/04/47/1165700447.db2.gz WBGOQRXSIUOCNU-SJLPKXTDSA-N 1 3 317.433 0.739 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2cnc(N(C)C)nc2)CC1 ZINC001620718633 1171406169 /nfs/dbraw/zinc/40/61/69/1171406169.db2.gz HPTDSFJGHVVANO-UHFFFAOYSA-N 1 3 306.458 0.660 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cccc2c1OCCNC2 ZINC001646747286 1172507946 /nfs/dbraw/zinc/50/79/46/1172507946.db2.gz FXIUMIDZEUCOJP-ZDUSSCGKSA-N 1 3 305.378 0.277 20 0 DCADHO Cc1ccc([C@H](CNC(=O)C[C@@H](O)C[NH3+])N2CCCC2)cc1 ZINC001650337415 1173576730 /nfs/dbraw/zinc/57/67/30/1173576730.db2.gz WFVSPKCRPVXKJN-CVEARBPZSA-N 1 3 305.422 0.958 20 0 DCADHO C[NH2+][C@H](CNC(=O)c1c(CN)cnn1C)Cc1ccccc1 ZINC001650393090 1173613062 /nfs/dbraw/zinc/61/30/62/1173613062.db2.gz IAPMJXXHDRJRIC-AWEZNQCLSA-N 1 3 301.394 0.439 20 0 DCADHO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@H]1CC[C@H](C2CC2)N1 ZINC001650428298 1173637137 /nfs/dbraw/zinc/63/71/37/1173637137.db2.gz BHFPTEVUKCRDRC-CHWSQXEVSA-N 1 3 318.425 0.173 20 0 DCADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1CC[NH2+]CCCO ZINC001656448664 1173864115 /nfs/dbraw/zinc/86/41/15/1173864115.db2.gz UALDPPARCKUKIE-ZFWWWQNUSA-N 1 3 308.426 0.941 20 0 DCADHO C[NH+]1CCC(CC(=O)NCCC[C@H]2CCCN2CC(N)=O)CC1 ZINC001663110753 1174266113 /nfs/dbraw/zinc/26/61/13/1174266113.db2.gz VEDUQPKQHLGHOO-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH2+]CCO)cc1)N(C)C ZINC001666347091 1174599907 /nfs/dbraw/zinc/59/99/07/1174599907.db2.gz CPQISNAPZXLGPR-MRXNPFEDSA-N 1 3 307.438 0.971 20 0 DCADHO CCOCCN1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001666837391 1174638225 /nfs/dbraw/zinc/63/82/25/1174638225.db2.gz CQAYMAXXGQOMEP-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CCOCCN1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001666837391 1174638229 /nfs/dbraw/zinc/63/82/29/1174638229.db2.gz CQAYMAXXGQOMEP-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO COC[C@@H](O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001667290098 1174673915 /nfs/dbraw/zinc/67/39/15/1174673915.db2.gz DVHQGVHETBQITH-CABCVRRESA-N 1 3 324.425 0.320 20 0 DCADHO CCn1nncc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214771 1174769581 /nfs/dbraw/zinc/76/95/81/1174769581.db2.gz OUYNLEJIJQICGZ-KGLIPLIRSA-N 1 3 322.457 0.624 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@H]1CCN(C2CCC2)C1=O ZINC001669020776 1174876906 /nfs/dbraw/zinc/87/69/06/1174876906.db2.gz JDRRYFFAGDHUPE-JZIMQPMSSA-N 1 3 322.453 0.354 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001670041413 1174973856 /nfs/dbraw/zinc/97/38/56/1174973856.db2.gz ATHNEYBUDWAOAW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[N@H+](CCOCCO)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001674495378 1175278148 /nfs/dbraw/zinc/27/81/48/1175278148.db2.gz HHWOLJDRTPCMAP-OAHLLOKOSA-N 1 3 313.442 0.014 20 0 DCADHO COCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001675599299 1175377687 /nfs/dbraw/zinc/37/76/87/1175377687.db2.gz LVQNIOUUZUQHFZ-HIFRSBDPSA-N 1 3 313.442 0.323 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001689338885 1176832639 /nfs/dbraw/zinc/83/26/39/1176832639.db2.gz FZIIZUZHEFVQQJ-FAAWYNLUSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001689338885 1176832643 /nfs/dbraw/zinc/83/26/43/1176832643.db2.gz FZIIZUZHEFVQQJ-FAAWYNLUSA-N 1 3 322.453 0.213 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@H+](C)CCN2CCCC2=O)CCC1 ZINC001689807536 1177065503 /nfs/dbraw/zinc/06/55/03/1177065503.db2.gz ZDNVMRGYWYDWIG-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@@H+](C)CCN2CCCC2=O)CCC1 ZINC001689807536 1177065506 /nfs/dbraw/zinc/06/55/06/1177065506.db2.gz ZDNVMRGYWYDWIG-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001690242296 1177196562 /nfs/dbraw/zinc/19/65/62/1177196562.db2.gz XMIFEYBHNOARDL-XQQFMLRXSA-N 1 3 317.380 0.695 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1C ZINC001720118832 1177448729 /nfs/dbraw/zinc/44/87/29/1177448729.db2.gz MPCWKCJLPDAUSL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNC(=O)CN2CCC(C)(C)C2)CC[N@H+]1C ZINC001720118832 1177448730 /nfs/dbraw/zinc/44/87/30/1177448730.db2.gz MPCWKCJLPDAUSL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699048599 1177797978 /nfs/dbraw/zinc/79/79/78/1177797978.db2.gz SRAQNXOUGMCVFY-KGLIPLIRSA-N 1 3 301.406 0.430 20 0 DCADHO O=C(NC[C@H](O)CNCCF)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001699048599 1177797985 /nfs/dbraw/zinc/79/79/85/1177797985.db2.gz SRAQNXOUGMCVFY-KGLIPLIRSA-N 1 3 301.406 0.430 20 0 DCADHO CCn1cc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)cn1 ZINC001699238305 1177968654 /nfs/dbraw/zinc/96/86/54/1177968654.db2.gz WAWPDOOUDHEHRJ-APHBUQMISA-N 1 3 319.453 0.802 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001699256537 1177994819 /nfs/dbraw/zinc/99/48/19/1177994819.db2.gz BLQJXZDLYDCZPY-NMONBKHDSA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001699256537 1177994830 /nfs/dbraw/zinc/99/48/30/1177994830.db2.gz BLQJXZDLYDCZPY-NMONBKHDSA-N 1 3 322.453 0.400 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001699280986 1178025450 /nfs/dbraw/zinc/02/54/50/1178025450.db2.gz JUXBMZDUBGDELY-SCOBNMCVSA-N 1 3 308.426 0.141 20 0 DCADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]CC1=CCCCC1 ZINC001700039494 1178453320 /nfs/dbraw/zinc/45/33/20/1178453320.db2.gz FCPAAGKEOYAHLP-UHFFFAOYSA-N 1 3 306.410 0.863 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N(CCO)CCNCCF)C1 ZINC001700041544 1178456462 /nfs/dbraw/zinc/45/64/62/1178456462.db2.gz CLHRGZPKKWKRIG-KBPBESRZSA-N 1 3 303.422 0.487 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC/C=C\Cl)C1 ZINC001700042420 1178456488 /nfs/dbraw/zinc/45/64/88/1178456488.db2.gz QCUXMTBRBGPCKS-LSYFEZSPSA-N 1 3 303.834 0.491 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N(CCO)CCNC/C=C\Cl)C1 ZINC001700042420 1178456492 /nfs/dbraw/zinc/45/64/92/1178456492.db2.gz QCUXMTBRBGPCKS-LSYFEZSPSA-N 1 3 303.834 0.491 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]C/C=C\Cl)CC1 ZINC001700300603 1178572041 /nfs/dbraw/zinc/57/20/41/1178572041.db2.gz GAOKMRVTXMJDTA-QTEJZOKPSA-N 1 3 315.845 0.776 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700947063 1178822979 /nfs/dbraw/zinc/82/29/79/1178822979.db2.gz XOOAHSOHYFQXOW-CQSZACIVSA-N 1 3 317.449 0.877 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001703184472 1179376835 /nfs/dbraw/zinc/37/68/35/1179376835.db2.gz HSOHELXJQRTKMB-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001703184472 1179376843 /nfs/dbraw/zinc/37/68/43/1179376843.db2.gz HSOHELXJQRTKMB-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCN2CC[NH+](CC3CC3)CC2)C1 ZINC001713070195 1180663566 /nfs/dbraw/zinc/66/35/66/1180663566.db2.gz DZOQPYZTLILHPP-INIZCTEOSA-N 1 3 322.497 0.862 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001713590656 1180949085 /nfs/dbraw/zinc/94/90/85/1180949085.db2.gz LQXYESYUHWIBAY-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001713590656 1180949091 /nfs/dbraw/zinc/94/90/91/1180949091.db2.gz LQXYESYUHWIBAY-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CN(CCNCC(=O)N1CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713655220 1180998694 /nfs/dbraw/zinc/99/86/94/1180998694.db2.gz VVXZRTOQCRLJQP-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCNCC(=O)N1CCCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713655220 1180998702 /nfs/dbraw/zinc/99/87/02/1180998702.db2.gz VVXZRTOQCRLJQP-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCOCCN1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714607101 1181437325 /nfs/dbraw/zinc/43/73/25/1181437325.db2.gz LUALNVUKJIKGNG-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC[NH2+]CCCO)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001714755429 1181525631 /nfs/dbraw/zinc/52/56/31/1181525631.db2.gz JTSIKQWOVZPPDC-HNNXBMFYSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001715607140 1181893802 /nfs/dbraw/zinc/89/38/02/1181893802.db2.gz XWKDYZOMTPABGI-KBPBESRZSA-N 1 3 303.422 0.676 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001715756776 1181978997 /nfs/dbraw/zinc/97/89/97/1181978997.db2.gz NISRKVVQDPZDAT-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCc2cnn(C)c2)C1 ZINC001715876666 1182068851 /nfs/dbraw/zinc/06/88/51/1182068851.db2.gz UJYKYJKMVDMQJV-NHZBNJEXSA-N 1 3 319.453 0.566 20 0 DCADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@H]1CCc2ncnn21 ZINC001715906890 1182091693 /nfs/dbraw/zinc/09/16/93/1182091693.db2.gz GKJJYWISXKOQHU-DDGIKZQJSA-N 1 3 318.425 0.123 20 0 DCADHO C[C@H](CC[NH2+]CCc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001716174487 1182233139 /nfs/dbraw/zinc/23/31/39/1182233139.db2.gz SQOXNVULTRGQMU-LSDHHAIUSA-N 1 3 321.469 0.789 20 0 DCADHO CCN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1CCCCN1CC ZINC001716256236 1182280886 /nfs/dbraw/zinc/28/08/86/1182280886.db2.gz ULRGPCJTOOYRAC-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)nn1 ZINC001716532344 1182427132 /nfs/dbraw/zinc/42/71/32/1182427132.db2.gz IIVNQKAAYISMPQ-AWEZNQCLSA-N 1 3 321.425 0.518 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001716568494 1182446108 /nfs/dbraw/zinc/44/61/08/1182446108.db2.gz MVJRDCSXPSLHOT-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]CC1CC(F)(F)C1 ZINC001717060939 1182658072 /nfs/dbraw/zinc/65/80/72/1182658072.db2.gz OPEMJXPRVZQPSQ-UHFFFAOYSA-N 1 3 316.352 0.408 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC2(CNCCF)CCOCC2)C1 ZINC001717268183 1182759105 /nfs/dbraw/zinc/75/91/05/1182759105.db2.gz PTFKKJINYWPNKS-CYBMUJFWSA-N 1 3 301.406 0.553 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC2(CNCCF)CCOCC2)C1 ZINC001717268183 1182759110 /nfs/dbraw/zinc/75/91/10/1182759110.db2.gz PTFKKJINYWPNKS-CYBMUJFWSA-N 1 3 301.406 0.553 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001717828111 1183021373 /nfs/dbraw/zinc/02/13/73/1183021373.db2.gz OJZIZVLVRXQCPZ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001722990107 1184241448 /nfs/dbraw/zinc/24/14/48/1184241448.db2.gz ITUXNWDZENCLDD-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001723124117 1184264599 /nfs/dbraw/zinc/26/45/99/1184264599.db2.gz TZPKGIPWGDJYNY-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)CN1CCCC1 ZINC001723193798 1184274820 /nfs/dbraw/zinc/27/48/20/1184274820.db2.gz DJMIYVJAXOPDCZ-AWEZNQCLSA-N 1 3 320.441 0.299 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001723205647 1184276456 /nfs/dbraw/zinc/27/64/56/1184276456.db2.gz ZYTLUEGCXYEUJS-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001724751654 1184542639 /nfs/dbraw/zinc/54/26/39/1184542639.db2.gz SYORJEQFHYZLFM-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001725587461 1184899587 /nfs/dbraw/zinc/89/95/87/1184899587.db2.gz IBISEHJPORQIHX-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCO ZINC001725711277 1184960597 /nfs/dbraw/zinc/96/05/97/1184960597.db2.gz RLJXOJZUWZNQRB-HUUCEWRRSA-N 1 3 315.458 0.041 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731921994 1185576564 /nfs/dbraw/zinc/57/65/64/1185576564.db2.gz LKPMMOPYRBKNKK-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001731921994 1185576568 /nfs/dbraw/zinc/57/65/68/1185576568.db2.gz LKPMMOPYRBKNKK-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCNCC(=O)N1CCCCC1 ZINC001731972693 1185619374 /nfs/dbraw/zinc/61/93/74/1185619374.db2.gz XDPHFGKJBUKJFJ-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCNCC(=O)N1CCCCC1 ZINC001731972693 1185619377 /nfs/dbraw/zinc/61/93/77/1185619377.db2.gz XDPHFGKJBUKJFJ-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732694871 1185923433 /nfs/dbraw/zinc/92/34/33/1185923433.db2.gz NUUVPRFNUPWMBG-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732694871 1185923438 /nfs/dbraw/zinc/92/34/38/1185923438.db2.gz NUUVPRFNUPWMBG-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732852825 1186015339 /nfs/dbraw/zinc/01/53/39/1186015339.db2.gz VJLRXCWGGVLNBW-LAWSMPECSA-N 1 3 310.442 0.256 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732852825 1186015343 /nfs/dbraw/zinc/01/53/43/1186015343.db2.gz VJLRXCWGGVLNBW-LAWSMPECSA-N 1 3 310.442 0.256 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001733107340 1186142472 /nfs/dbraw/zinc/14/24/72/1186142472.db2.gz VXGOFAZYQXQEPW-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO CN(CCCNCc1cnnn1C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001733107340 1186142474 /nfs/dbraw/zinc/14/24/74/1186142474.db2.gz VXGOFAZYQXQEPW-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCO)CC1 ZINC001733568471 1186334082 /nfs/dbraw/zinc/33/40/82/1186334082.db2.gz HABLMGALAWPHOF-HDJSIYSDSA-N 1 3 308.426 0.765 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCOCC(F)(F)F ZINC001734343830 1186618852 /nfs/dbraw/zinc/61/88/52/1186618852.db2.gz UGMLZKXKIXNZPR-JTQLQIEISA-N 1 3 322.331 0.968 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)[C@H]1C ZINC001734410307 1186644989 /nfs/dbraw/zinc/64/49/89/1186644989.db2.gz UHYSUVXVLDONGS-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001736750788 1187085175 /nfs/dbraw/zinc/08/51/75/1187085175.db2.gz ZXOLEXKRIFPWCI-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001736750788 1187085181 /nfs/dbraw/zinc/08/51/81/1187085181.db2.gz ZXOLEXKRIFPWCI-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001753359653 1188572591 /nfs/dbraw/zinc/57/25/91/1188572591.db2.gz ZRZSHLDHEQPOAX-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001753965693 1188699067 /nfs/dbraw/zinc/69/90/67/1188699067.db2.gz GSFLYRVTONVLQQ-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CCOCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001755443967 1189113848 /nfs/dbraw/zinc/11/38/48/1189113848.db2.gz FCEZSDSOJTVHLR-JSGCOSHPSA-N 1 3 310.398 0.194 20 0 DCADHO [NH3+]CCN(CC(=O)N[C@@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC001771755122 1190490460 /nfs/dbraw/zinc/49/04/60/1190490460.db2.gz SFILYWZVWIWHOJ-MRXNPFEDSA-N 1 3 316.449 0.800 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001772074707 1190604397 /nfs/dbraw/zinc/60/43/97/1190604397.db2.gz ALYKVDFWUZTMSM-DPGVGJJJSA-N 1 3 323.485 0.582 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)[C@H]1[NH2+]CC12CCOCC2 ZINC001772226395 1190635522 /nfs/dbraw/zinc/63/55/22/1190635522.db2.gz MPRYEAQJNZZYAA-CQSZACIVSA-N 1 3 302.378 0.434 20 0 DCADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001772316251 1190661100 /nfs/dbraw/zinc/66/11/00/1190661100.db2.gz RCKITOVWMFUOAZ-DLTWYDFYSA-N 1 3 307.438 0.576 20 0 DCADHO CN(Cc1ccc(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)nc1)C1CC1 ZINC001164401607 718854139 /nfs/dbraw/zinc/85/41/39/718854139.db2.gz CJJHHSMDYLGDCP-YOEHRIQHSA-N 1 3 302.422 0.694 20 0 DCADHO CNC(=O)C[N@@H+]1CCCC12CCN(c1cccc(N)n1)CC2 ZINC001164682470 719706816 /nfs/dbraw/zinc/70/68/16/719706816.db2.gz DZCGQYKGZOQVIA-UHFFFAOYSA-N 1 3 303.410 0.845 20 0 DCADHO CNC(=O)C[N@H+]1CCCC12CCN(c1cccc(N)n1)CC2 ZINC001164682470 719706818 /nfs/dbraw/zinc/70/68/18/719706818.db2.gz DZCGQYKGZOQVIA-UHFFFAOYSA-N 1 3 303.410 0.845 20 0 DCADHO CCCN(CCN1CCCCC1)C(=O)[C@H]([NH3+])CCC(=O)OC ZINC001577523872 1164712911 /nfs/dbraw/zinc/71/29/11/1164712911.db2.gz JPJCSEHWLHALCR-CQSZACIVSA-N 1 3 313.442 0.991 20 0 DCADHO CCOC(=O)N1C[C@H]([NH2+]CC(CC)(CC)CN)[C@@H](CO)C1 ZINC001577967908 1164869071 /nfs/dbraw/zinc/86/90/71/1164869071.db2.gz ZIMJHPFYHBBUHQ-OLZOCXBDSA-N 1 3 301.431 0.790 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001578533426 1165048049 /nfs/dbraw/zinc/04/80/49/1165048049.db2.gz HJHKSSWAUZGENR-UHFFFAOYSA-N 1 3 308.470 0.829 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1 ZINC001106910091 751540055 /nfs/dbraw/zinc/54/00/55/751540055.db2.gz RFHNHUWRRHQCJZ-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC2CCC2)CC[N@@H+]1C ZINC001127690482 751638949 /nfs/dbraw/zinc/63/89/49/751638949.db2.gz KSHIQHPTSXLMSB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC2CCC2)CC[N@H+]1C ZINC001127690482 751638952 /nfs/dbraw/zinc/63/89/52/751638952.db2.gz KSHIQHPTSXLMSB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107041043 751786150 /nfs/dbraw/zinc/78/61/50/751786150.db2.gz YDOMNKNFDPVVHA-RBSFLKMASA-N 1 3 315.458 0.018 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001206890312 747016557 /nfs/dbraw/zinc/01/65/57/747016557.db2.gz LGJGZZVZTUZHBT-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001167224476 747025596 /nfs/dbraw/zinc/02/55/96/747025596.db2.gz KWVKVOIDCNUPSV-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001203456017 752180503 /nfs/dbraw/zinc/18/05/03/752180503.db2.gz OEOOGWSVTICOBO-UHFFFAOYSA-N 1 3 308.430 0.238 20 0 DCADHO CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C)C(N)=O ZINC001167634058 747439289 /nfs/dbraw/zinc/43/92/89/747439289.db2.gz DKQAHZGFBJZXNU-ZIAGYGMSSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001167635198 747439827 /nfs/dbraw/zinc/43/98/27/747439827.db2.gz LGENULWUGDZTAU-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001100681374 747610826 /nfs/dbraw/zinc/61/08/26/747610826.db2.gz HEISHHDDFXEMRF-PNESKVBLSA-N 1 3 312.458 0.323 20 0 DCADHO COC[C@H](C)N1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275384 747680907 /nfs/dbraw/zinc/68/09/07/747680907.db2.gz ZXDGBDNXTKVJRX-SOUVJXGZSA-N 1 3 311.426 0.029 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC(=O)NCC)CC1 ZINC001167814860 748367919 /nfs/dbraw/zinc/36/79/19/748367919.db2.gz HTZVSQOYOKOVFF-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001167835618 748409442 /nfs/dbraw/zinc/40/94/42/748409442.db2.gz JSYTWGPYEPESAR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001149130425 748508144 /nfs/dbraw/zinc/50/81/44/748508144.db2.gz ODJVDQDBIKNHSW-UHFFFAOYSA-N 1 3 319.413 0.428 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993165 749178856 /nfs/dbraw/zinc/17/88/56/749178856.db2.gz CPZWFIZSYDGRHT-PMPSAXMXSA-N 1 3 309.454 0.753 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993165 749178861 /nfs/dbraw/zinc/17/88/61/749178861.db2.gz CPZWFIZSYDGRHT-PMPSAXMXSA-N 1 3 309.454 0.753 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)C1 ZINC001088106797 749241444 /nfs/dbraw/zinc/24/14/44/749241444.db2.gz RFCXNPBSQLGIRC-OAGGEKHMSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)C1 ZINC001088106797 749241450 /nfs/dbraw/zinc/24/14/50/749241450.db2.gz RFCXNPBSQLGIRC-OAGGEKHMSA-N 1 3 309.454 0.491 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083524205 750096717 /nfs/dbraw/zinc/09/67/17/750096717.db2.gz MFAYPFHYBWWQQW-OAGGEKHMSA-N 1 3 309.454 0.821 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083524205 750096722 /nfs/dbraw/zinc/09/67/22/750096722.db2.gz MFAYPFHYBWWQQW-OAGGEKHMSA-N 1 3 309.454 0.821 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@@H]2O)C1 ZINC001083719543 751032499 /nfs/dbraw/zinc/03/24/99/751032499.db2.gz IXNMQDWKALPIFZ-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@@H]2O)C1 ZINC001083719543 751032506 /nfs/dbraw/zinc/03/25/06/751032506.db2.gz IXNMQDWKALPIFZ-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)(C(=O)NCC[NH2+]CCn1cncn1)N1CCCCC1 ZINC001127327546 751121426 /nfs/dbraw/zinc/12/14/26/751121426.db2.gz PBRIXTLBNVSWRL-UHFFFAOYSA-N 1 3 308.430 0.248 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)N(C)C ZINC001099269176 751279545 /nfs/dbraw/zinc/27/95/45/751279545.db2.gz AHHMOAFJAWUUFL-GMTAPVOTSA-N 1 3 311.348 0.298 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203523831 751304319 /nfs/dbraw/zinc/30/43/19/751304319.db2.gz SLORTTDGXWYOTL-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001077756731 752468836 /nfs/dbraw/zinc/46/88/36/752468836.db2.gz XQVZMGYRGCXLSU-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001077756731 752468840 /nfs/dbraw/zinc/46/88/40/752468840.db2.gz XQVZMGYRGCXLSU-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)CN1CCCC1 ZINC001044857792 752904355 /nfs/dbraw/zinc/90/43/55/752904355.db2.gz NVKDOZCBLSXECW-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCCC1 ZINC001044858956 752906178 /nfs/dbraw/zinc/90/61/78/752906178.db2.gz XYRZBHPFZSSMRL-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)cn1 ZINC001045181788 753079561 /nfs/dbraw/zinc/07/95/61/753079561.db2.gz VWHBUMGUWNKRDG-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001045311356 753140070 /nfs/dbraw/zinc/14/00/70/753140070.db2.gz JDERFQRBKORNQD-CVEARBPZSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001045311356 753140076 /nfs/dbraw/zinc/14/00/76/753140076.db2.gz JDERFQRBKORNQD-CVEARBPZSA-N 1 3 317.437 0.817 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064340 753457449 /nfs/dbraw/zinc/45/74/49/753457449.db2.gz LHSZTQVHKYUDTN-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001046064340 753457451 /nfs/dbraw/zinc/45/74/51/753457451.db2.gz LHSZTQVHKYUDTN-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067085 753460255 /nfs/dbraw/zinc/46/02/55/753460255.db2.gz SMJJFPIZDFFZHS-HNNXBMFYSA-N 1 3 305.426 0.581 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067085 753460263 /nfs/dbraw/zinc/46/02/63/753460263.db2.gz SMJJFPIZDFFZHS-HNNXBMFYSA-N 1 3 305.426 0.581 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001046329997 753648807 /nfs/dbraw/zinc/64/88/07/753648807.db2.gz VABCVYBKULQWSC-INMHGKMJSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001046329997 753648810 /nfs/dbraw/zinc/64/88/10/753648810.db2.gz VABCVYBKULQWSC-INMHGKMJSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@]1(C[NH2+][C@H]2CCCNC2=O)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001046903472 754011334 /nfs/dbraw/zinc/01/13/34/754011334.db2.gz QUPBDAXMRORMLD-XJKSGUPXSA-N 1 3 319.409 0.059 20 0 DCADHO CCCC[C@@H]([NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)C(N)=O ZINC001128545125 754068442 /nfs/dbraw/zinc/06/84/42/754068442.db2.gz UOQRRGUVBFTXJC-QWHCGFSZSA-N 1 3 318.437 0.416 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001128783485 754284568 /nfs/dbraw/zinc/28/45/68/754284568.db2.gz HXPJUGPHKDXTCJ-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001128783485 754284572 /nfs/dbraw/zinc/28/45/72/754284572.db2.gz HXPJUGPHKDXTCJ-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(N)=O ZINC001128786112 754288607 /nfs/dbraw/zinc/28/86/07/754288607.db2.gz RPRZYBQAGPRDHU-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@@H]1CCC[N@H+]1CCC)C(N)=O ZINC001128786112 754288609 /nfs/dbraw/zinc/28/86/09/754288609.db2.gz RPRZYBQAGPRDHU-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3C2)C1 ZINC001049058936 755095646 /nfs/dbraw/zinc/09/56/46/755095646.db2.gz KUGCSYHJDWDIGO-LUKYLMHMSA-N 1 3 321.465 0.755 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3C2)C1 ZINC001049058936 755095653 /nfs/dbraw/zinc/09/56/53/755095653.db2.gz KUGCSYHJDWDIGO-LUKYLMHMSA-N 1 3 321.465 0.755 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001063100599 755105145 /nfs/dbraw/zinc/10/51/45/755105145.db2.gz MYDBUACZGVFIQM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001063100599 755105150 /nfs/dbraw/zinc/10/51/50/755105150.db2.gz MYDBUACZGVFIQM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@@H]2C1 ZINC001049083596 755107757 /nfs/dbraw/zinc/10/77/57/755107757.db2.gz KSDKYXJIQMJPCF-IJEWVQPXSA-N 1 3 318.421 0.912 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@@H]2C1 ZINC001049083596 755107759 /nfs/dbraw/zinc/10/77/59/755107759.db2.gz KSDKYXJIQMJPCF-IJEWVQPXSA-N 1 3 318.421 0.912 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001063130651 755114721 /nfs/dbraw/zinc/11/47/21/755114721.db2.gz HUUBDZUXVAEZRH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001063130651 755114722 /nfs/dbraw/zinc/11/47/22/755114722.db2.gz HUUBDZUXVAEZRH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCO)CC[N@@H+]1C ZINC001097721720 755718176 /nfs/dbraw/zinc/71/81/76/755718176.db2.gz UYAWWOXVWKQBAH-RBZJEDDUSA-N 1 3 309.454 0.821 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCCO)CC[N@H+]1C ZINC001097721720 755718180 /nfs/dbraw/zinc/71/81/80/755718180.db2.gz UYAWWOXVWKQBAH-RBZJEDDUSA-N 1 3 309.454 0.821 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072289818 762428860 /nfs/dbraw/zinc/42/88/60/762428860.db2.gz GCYHNMKOCDOHJD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001053503188 756068583 /nfs/dbraw/zinc/06/85/83/756068583.db2.gz ITAYYPMCSQLCIW-CHWSQXEVSA-N 1 3 321.425 0.115 20 0 DCADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160950 756118145 /nfs/dbraw/zinc/11/81/45/756118145.db2.gz FYASFFAOXNIKEW-QVCPJDEESA-N 1 3 307.438 0.695 20 0 DCADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160950 756118148 /nfs/dbraw/zinc/11/81/48/756118148.db2.gz FYASFFAOXNIKEW-QVCPJDEESA-N 1 3 307.438 0.695 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001054734091 756620172 /nfs/dbraw/zinc/62/01/72/756620172.db2.gz AEGITLLOOYNCPB-GDBMZVCRSA-N 1 3 319.453 0.804 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001082561765 757187461 /nfs/dbraw/zinc/18/74/61/757187461.db2.gz PEAAQWYVLXFJLX-MRVWCRGKSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082743474 757253253 /nfs/dbraw/zinc/25/32/53/757253253.db2.gz DGTAPBLCYUWXJG-HZSPNIEDSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001082822688 757287676 /nfs/dbraw/zinc/28/76/76/757287676.db2.gz VZMNQEOYKMLUEK-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+]1CCCCC1 ZINC001082943863 757339907 /nfs/dbraw/zinc/33/99/07/757339907.db2.gz LQGMVRQWARLAST-FMKPAKJESA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](CC[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001050223121 757505876 /nfs/dbraw/zinc/50/58/76/757505876.db2.gz NIJGNKXAYQVELP-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084091724 757670758 /nfs/dbraw/zinc/67/07/58/757670758.db2.gz MKUHIUKAMBYNCC-RDBSUJKOSA-N 1 3 301.406 0.382 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001084091724 757670762 /nfs/dbraw/zinc/67/07/62/757670762.db2.gz MKUHIUKAMBYNCC-RDBSUJKOSA-N 1 3 301.406 0.382 20 0 DCADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084992562 758160719 /nfs/dbraw/zinc/16/07/19/758160719.db2.gz HDEIXRIMGCFQKF-OWQJAQGESA-N 1 3 319.449 0.792 20 0 DCADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084992562 758160726 /nfs/dbraw/zinc/16/07/26/758160726.db2.gz HDEIXRIMGCFQKF-OWQJAQGESA-N 1 3 319.449 0.792 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001052117846 759190365 /nfs/dbraw/zinc/19/03/65/759190365.db2.gz FFVQMDUOKOXCEY-QGZVFWFLSA-N 1 3 320.481 0.711 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147822836 767852479 /nfs/dbraw/zinc/85/24/79/767852479.db2.gz BLTKIOUSUSKGQE-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826524 767852819 /nfs/dbraw/zinc/85/28/19/767852819.db2.gz XFPYNXMQRPOVTI-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886395 767862846 /nfs/dbraw/zinc/86/28/46/767862846.db2.gz WADUTQRAAICQRU-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886395 767862854 /nfs/dbraw/zinc/86/28/54/767862854.db2.gz WADUTQRAAICQRU-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147900268 767879925 /nfs/dbraw/zinc/87/99/25/767879925.db2.gz LDOKCKIMLWNPMD-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147900268 767879931 /nfs/dbraw/zinc/87/99/31/767879931.db2.gz LDOKCKIMLWNPMD-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)N1CCCCC1 ZINC001147999829 767893531 /nfs/dbraw/zinc/89/35/31/767893531.db2.gz FHXYXHXSGSXTCG-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001086278624 759943265 /nfs/dbraw/zinc/94/32/65/759943265.db2.gz GBCCUUQPQMVKJW-XGUBFFRZSA-N 1 3 324.469 0.609 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086465397 760222161 /nfs/dbraw/zinc/22/21/61/760222161.db2.gz BCLVTAZWSQAELE-MQMHXKEQSA-N 1 3 320.441 0.141 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001100124579 760441660 /nfs/dbraw/zinc/44/16/60/760441660.db2.gz KKZIRUGJGCVYOR-LSDHHAIUSA-N 1 3 315.433 0.773 20 0 DCADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCOCCOCCOCCO)C2 ZINC001169090860 760583245 /nfs/dbraw/zinc/58/32/45/760583245.db2.gz MJTFYSXGTFCJOH-MUJYYYPQSA-N 1 3 316.442 0.243 20 0 DCADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCOCCOCCOCCO)C2 ZINC001169090860 760583248 /nfs/dbraw/zinc/58/32/48/760583248.db2.gz MJTFYSXGTFCJOH-MUJYYYPQSA-N 1 3 316.442 0.243 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169152730 760597322 /nfs/dbraw/zinc/59/73/22/760597322.db2.gz DAIXIFLSLFFLEW-LVQVYYBASA-N 1 3 308.470 0.754 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169152730 760597327 /nfs/dbraw/zinc/59/73/27/760597327.db2.gz DAIXIFLSLFFLEW-LVQVYYBASA-N 1 3 308.470 0.754 20 0 DCADHO NCc1cnnn1-c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001169312158 760631007 /nfs/dbraw/zinc/63/10/07/760631007.db2.gz PAFHIMJWPCLIDJ-UHFFFAOYSA-N 1 3 300.366 0.289 20 0 DCADHO C[C@@H](NCCNC(=O)CCCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001148365156 767973625 /nfs/dbraw/zinc/97/36/25/767973625.db2.gz JOMXCFWEGDOYOV-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001129363032 761045371 /nfs/dbraw/zinc/04/53/71/761045371.db2.gz DMLYMMBRQAMAQU-CYBMUJFWSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)N1CCCCC1 ZINC001129363938 761050349 /nfs/dbraw/zinc/05/03/49/761050349.db2.gz NHFNSHFTOVXJQC-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364831 761054983 /nfs/dbraw/zinc/05/49/83/761054983.db2.gz ZQBXBRGKANQNMB-AWEZNQCLSA-N 1 3 315.458 0.210 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC001148655208 768024327 /nfs/dbraw/zinc/02/43/27/768024327.db2.gz JUAWXPVGKTVUKO-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001070873845 761482129 /nfs/dbraw/zinc/48/21/29/761482129.db2.gz YADHQOFXVCIFLV-ZBFHGGJFSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](CC)C(N)=O ZINC001176285992 770061734 /nfs/dbraw/zinc/06/17/34/770061734.db2.gz SBXLIESWTULUSB-KBPBESRZSA-N 1 3 314.474 0.857 20 0 DCADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982553 761634469 /nfs/dbraw/zinc/63/44/69/761634469.db2.gz IQDLKSPJRCEEFT-FZKCQIBNSA-N 1 3 321.465 0.965 20 0 DCADHO Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086874682 768083257 /nfs/dbraw/zinc/08/32/57/768083257.db2.gz NTCSFJZAPCVQEU-RRFJBIMHSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086874682 768083263 /nfs/dbraw/zinc/08/32/63/768083263.db2.gz NTCSFJZAPCVQEU-RRFJBIMHSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001129422314 762935747 /nfs/dbraw/zinc/93/57/47/762935747.db2.gz HGSULCMXXDBMBC-UONOGXRCSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001129422314 762935754 /nfs/dbraw/zinc/93/57/54/762935754.db2.gz HGSULCMXXDBMBC-UONOGXRCSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449191 762938024 /nfs/dbraw/zinc/93/80/24/762938024.db2.gz KXXAVWHADFOQBO-DOMZBBRYSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129454120 762939507 /nfs/dbraw/zinc/93/95/07/762939507.db2.gz FOVKHXNGVSVBTF-JSGCOSHPSA-N 1 3 312.458 0.289 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001129435350 762942183 /nfs/dbraw/zinc/94/21/83/762942183.db2.gz GDGFCZKMPSVWRR-INIZCTEOSA-N 1 3 324.469 0.291 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)CN(C)C2CCC2)cn1 ZINC001129532231 762954871 /nfs/dbraw/zinc/95/48/71/762954871.db2.gz WCQLJAZSTXPTQV-UHFFFAOYSA-N 1 3 307.442 0.636 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCNC(=O)CN(C)C2CCC2)C1=O ZINC001129534965 762960267 /nfs/dbraw/zinc/96/02/67/762960267.db2.gz GDSKITJKLQCIMC-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)=CCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991899 763081233 /nfs/dbraw/zinc/08/12/33/763081233.db2.gz BPIDGQFCXTYTJJ-CABCVRRESA-N 1 3 320.441 0.538 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C ZINC001130203314 763176599 /nfs/dbraw/zinc/17/65/99/763176599.db2.gz JBTAWUGHINVLAL-JKSUJKDBSA-N 1 3 307.438 0.636 20 0 DCADHO CC(C)OCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975006 763180090 /nfs/dbraw/zinc/18/00/90/763180090.db2.gz XNMAMQZKAVQFMN-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNCC(=O)NC1CC1 ZINC001130617849 763406162 /nfs/dbraw/zinc/40/61/62/763406162.db2.gz KWDUFCNWWDPPTC-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNCC(=O)NC1CC1 ZINC001130617849 763406168 /nfs/dbraw/zinc/40/61/68/763406168.db2.gz KWDUFCNWWDPPTC-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426632 763571714 /nfs/dbraw/zinc/57/17/14/763571714.db2.gz SDSQYMMQRUQYQI-PIMMBPRGSA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001100442311 763581504 /nfs/dbraw/zinc/58/15/04/763581504.db2.gz ANSYBMPHQYOMHK-SSDMNJCBSA-N 1 3 307.442 0.745 20 0 DCADHO O=C(NCCCNCc1cnns1)[C@H]1C[NH+]2CCC1CC2 ZINC001158197266 763612088 /nfs/dbraw/zinc/61/20/88/763612088.db2.gz VBBRXYAIXFNTND-ZDUSSCGKSA-N 1 3 309.439 0.476 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3cnnn3C)C2)C1 ZINC001100678587 763718878 /nfs/dbraw/zinc/71/88/78/763718878.db2.gz PVWXTDNGGXILEY-HSBZDZAISA-N 1 3 320.441 0.141 20 0 DCADHO C[C@H](Nc1cncc(OCC[NH+]2CCCC2)n1)[C@@H]1CNCCO1 ZINC001170561935 763825846 /nfs/dbraw/zinc/82/58/46/763825846.db2.gz HJSNYDOEGWEFPH-KBPBESRZSA-N 1 3 321.425 0.740 20 0 DCADHO Cc1cc(OC2CC[NH2+]CC2)nc(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001170563896 763840639 /nfs/dbraw/zinc/84/06/39/763840639.db2.gz OCFFFRJJXDNZSW-JSGCOSHPSA-N 1 3 321.425 0.705 20 0 DCADHO C[C@@H](Nc1ccc(CN2CC[NH2+]CC2)cc1)[C@H]1CNCCO1 ZINC001170566763 763853044 /nfs/dbraw/zinc/85/30/44/763853044.db2.gz HCNBVXLHZBTDKA-RHSMWYFYSA-N 1 3 304.438 0.881 20 0 DCADHO C[C@H](Nc1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1)[C@@H]1CNCCO1 ZINC001170569756 763865001 /nfs/dbraw/zinc/86/50/01/763865001.db2.gz TWOQTNMWVACTCZ-WHOFXGATSA-N 1 3 316.409 0.943 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001131790333 764013802 /nfs/dbraw/zinc/01/38/02/764013802.db2.gz LQERNSCFVLMDPM-DOMZBBRYSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001131790335 764014172 /nfs/dbraw/zinc/01/41/72/764014172.db2.gz LQERNSCFVLMDPM-SWLSCSKDSA-N 1 3 322.453 0.234 20 0 DCADHO Cn1cncc1CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131835104 764071630 /nfs/dbraw/zinc/07/16/30/764071630.db2.gz OHMFPIINERPJRM-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCn1cccn1 ZINC001132265380 764343333 /nfs/dbraw/zinc/34/33/33/764343333.db2.gz LYZKEGARIMXJTQ-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO CCOCCN1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426028 764453431 /nfs/dbraw/zinc/45/34/31/764453431.db2.gz QWJFLRWRXPOCAE-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976175 764465918 /nfs/dbraw/zinc/46/59/18/764465918.db2.gz NEWXLFBOEDUAQJ-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976175 764465924 /nfs/dbraw/zinc/46/59/24/764465924.db2.gz NEWXLFBOEDUAQJ-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475533 764657239 /nfs/dbraw/zinc/65/72/39/764657239.db2.gz SAUOUQBCWJXQGU-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475533 764657244 /nfs/dbraw/zinc/65/72/44/764657244.db2.gz SAUOUQBCWJXQGU-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102495767 764668003 /nfs/dbraw/zinc/66/80/03/764668003.db2.gz MIQFGGQKVFDUJD-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2cncn2C)C[C@H]1C ZINC001102495767 764668009 /nfs/dbraw/zinc/66/80/09/764668009.db2.gz MIQFGGQKVFDUJD-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001102525305 764679650 /nfs/dbraw/zinc/67/96/50/764679650.db2.gz VTMRAZGXRQDTCO-HUUCEWRRSA-N 1 3 322.457 0.304 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001102525305 764679655 /nfs/dbraw/zinc/67/96/55/764679655.db2.gz VTMRAZGXRQDTCO-HUUCEWRRSA-N 1 3 322.457 0.304 20 0 DCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCCO ZINC001132887087 764710704 /nfs/dbraw/zinc/71/07/04/764710704.db2.gz AUWNLPQSCODJTK-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893347 764713236 /nfs/dbraw/zinc/71/32/36/764713236.db2.gz NRFVZEFMEBBYMF-IHRRRGAJSA-N 1 3 312.458 0.467 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893347 764713245 /nfs/dbraw/zinc/71/32/45/764713245.db2.gz NRFVZEFMEBBYMF-IHRRRGAJSA-N 1 3 312.458 0.467 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)CCC[NH+](C)C)CC1 ZINC001133040455 764799700 /nfs/dbraw/zinc/79/97/00/764799700.db2.gz RSHYHDXRRUDVOY-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001133091599 764822108 /nfs/dbraw/zinc/82/21/08/764822108.db2.gz SOPHDEKNTAJNLI-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001133275523 764904656 /nfs/dbraw/zinc/90/46/56/764904656.db2.gz TXCPKPOXUIWHMI-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC(=O)Nc1cccc(CNCCNC(=O)CC[NH+](C)C)c1 ZINC001133294717 764911028 /nfs/dbraw/zinc/91/10/28/764911028.db2.gz QKBXXGMZMAYBEK-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC001133298016 764919506 /nfs/dbraw/zinc/91/95/06/764919506.db2.gz WNIHTOIZULMAOU-UHFFFAOYSA-N 1 3 307.394 0.615 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684317 765079446 /nfs/dbraw/zinc/07/94/46/765079446.db2.gz GYULWMPKKLDURT-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001133819991 765150794 /nfs/dbraw/zinc/15/07/94/765150794.db2.gz UPJAKNBQDULVLN-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001133819991 765150796 /nfs/dbraw/zinc/15/07/96/765150796.db2.gz UPJAKNBQDULVLN-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN1C)c1nccn12 ZINC001092355701 768271370 /nfs/dbraw/zinc/27/13/70/768271370.db2.gz YRKIAWAPLBKILT-UONOGXRCSA-N 1 3 317.437 0.959 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133863830 765190111 /nfs/dbraw/zinc/19/01/11/765190111.db2.gz PWFQEUCUSLRKRX-CHWSQXEVSA-N 1 3 312.458 0.052 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133863830 765190116 /nfs/dbraw/zinc/19/01/16/765190116.db2.gz PWFQEUCUSLRKRX-CHWSQXEVSA-N 1 3 312.458 0.052 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001134759377 765657844 /nfs/dbraw/zinc/65/78/44/765657844.db2.gz NOXRWAUPXVHYFC-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001134759377 765657847 /nfs/dbraw/zinc/65/78/47/765657847.db2.gz NOXRWAUPXVHYFC-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134782089 765671661 /nfs/dbraw/zinc/67/16/61/765671661.db2.gz AJVKCBFEZRWFIR-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001115304665 765685332 /nfs/dbraw/zinc/68/53/32/765685332.db2.gz UCJIUJABESSYLZ-AIANPOQGSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001115304665 765685334 /nfs/dbraw/zinc/68/53/34/765685334.db2.gz UCJIUJABESSYLZ-AIANPOQGSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866493 768316326 /nfs/dbraw/zinc/31/63/26/768316326.db2.gz DPGLJEMWPWPZIZ-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C2CC2)N(C)C)CCCCC1 ZINC001115572975 765760545 /nfs/dbraw/zinc/76/05/45/765760545.db2.gz BVZIZQSJVRVTMP-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO COc1nccc(CN[C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001135371641 765906992 /nfs/dbraw/zinc/90/69/92/765906992.db2.gz HCIXBVQVCOANCX-STQMWFEESA-N 1 3 323.441 0.810 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001135513144 765965898 /nfs/dbraw/zinc/96/58/98/765965898.db2.gz HLGSXRIMOTXDQI-HNNXBMFYSA-N 1 3 311.401 0.907 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743743 766085647 /nfs/dbraw/zinc/08/56/47/766085647.db2.gz PASMVALPIXECSY-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC001117917304 766165702 /nfs/dbraw/zinc/16/57/02/766165702.db2.gz KUULKVXZJJIAIC-OKILXGFUSA-N 1 3 324.469 0.053 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001135980523 766193539 /nfs/dbraw/zinc/19/35/39/766193539.db2.gz PKFMLPVUMMMQHL-UONOGXRCSA-N 1 3 310.446 0.493 20 0 DCADHO C[C@@H]([NH3+])CCNc1ccc(C(=O)NC2CCN(C)CC2)nn1 ZINC001170890238 766245726 /nfs/dbraw/zinc/24/57/26/766245726.db2.gz SKNQWWYYOZZJPZ-LLVKDONJSA-N 1 3 306.414 0.450 20 0 DCADHO COc1ccc(-n2cc(N[C@@H](N)CCC[NH3+])ncc2=O)cc1 ZINC001170907139 766253853 /nfs/dbraw/zinc/25/38/53/766253853.db2.gz ZXOMIVFRTYHZAL-CYBMUJFWSA-N 1 3 303.366 0.677 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997078 766328740 /nfs/dbraw/zinc/32/87/40/766328740.db2.gz FFLJLIGTEZOXHS-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO COc1ccc(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)cn1 ZINC001119610658 766748634 /nfs/dbraw/zinc/74/86/34/766748634.db2.gz CBMXRIJJVNTLBH-CQSZACIVSA-N 1 3 316.409 0.939 20 0 DCADHO CCN1C(=O)CN(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001120255652 766949738 /nfs/dbraw/zinc/94/97/38/766949738.db2.gz LLYCCRGUCQUMIE-MELADBBJSA-N 1 3 308.426 0.890 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120423686 767005564 /nfs/dbraw/zinc/00/55/64/767005564.db2.gz WLJPWSHPOUFGDE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CN1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120423685 767005822 /nfs/dbraw/zinc/00/58/22/767005822.db2.gz WLJPWSHPOUFGDE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO COc1ccc(CNCCCNC(=O)C[C@H]2CC[N@H+](C)C2)nn1 ZINC001171215338 767018075 /nfs/dbraw/zinc/01/80/75/767018075.db2.gz AJRLBFFSYDDSHJ-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO COc1ccc(CNCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC001171215338 767018086 /nfs/dbraw/zinc/01/80/86/767018086.db2.gz AJRLBFFSYDDSHJ-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001146594128 767485529 /nfs/dbraw/zinc/48/55/29/767485529.db2.gz RGBCQXMYVRJORT-QWHCGFSZSA-N 1 3 321.487 0.244 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001146591523 767485974 /nfs/dbraw/zinc/48/59/74/767485974.db2.gz HJXARDLNIYQSJB-STQMWFEESA-N 1 3 310.446 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595093 767487253 /nfs/dbraw/zinc/48/72/53/767487253.db2.gz WZRVCSCSPOOYPO-KGLIPLIRSA-N 1 3 314.474 0.678 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC001121318268 767511155 /nfs/dbraw/zinc/51/11/55/767511155.db2.gz BYWPHLHWUQPJMB-PJMHRPOASA-N 1 3 324.469 0.608 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CCCO)C3)C1 ZINC001121773077 767634762 /nfs/dbraw/zinc/63/47/62/767634762.db2.gz NECVHTIAYPKOLI-DPGVGJJJSA-N 1 3 309.454 0.728 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001110149784 768750505 /nfs/dbraw/zinc/75/05/05/768750505.db2.gz ZPZKQVGMLPMXQK-PMPSAXMXSA-N 1 3 309.454 0.966 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccnn2C)[C@H](C)C1)N(C)C ZINC001093858570 768752978 /nfs/dbraw/zinc/75/29/78/768752978.db2.gz BOAINGGVNXVJBG-IIAWOOMASA-N 1 3 321.469 0.944 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149854215 768886823 /nfs/dbraw/zinc/88/68/23/768886823.db2.gz IQPHSSSQSWZKQZ-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149854215 768886837 /nfs/dbraw/zinc/88/68/37/768886837.db2.gz IQPHSSSQSWZKQZ-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151043994 769244267 /nfs/dbraw/zinc/24/42/67/769244267.db2.gz KAYBTZHBXXCENP-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151043994 769244271 /nfs/dbraw/zinc/24/42/71/769244271.db2.gz KAYBTZHBXXCENP-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171509761 769313817 /nfs/dbraw/zinc/31/38/17/769313817.db2.gz UOCVPNOPIRDCFT-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1c(C)nnn1CC ZINC001171758233 769368485 /nfs/dbraw/zinc/36/84/85/769368485.db2.gz ULEAYJUQXVSCSF-UHFFFAOYSA-N 1 3 310.446 0.544 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C ZINC001171762585 769370911 /nfs/dbraw/zinc/37/09/11/769370911.db2.gz GZNFVUWAJLSGLN-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172166842 769450208 /nfs/dbraw/zinc/45/02/08/769450208.db2.gz RSJJMSMHSNPANL-ZIAGYGMSSA-N 1 3 323.437 0.886 20 0 DCADHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172166842 769450214 /nfs/dbraw/zinc/45/02/14/769450214.db2.gz RSJJMSMHSNPANL-ZIAGYGMSSA-N 1 3 323.437 0.886 20 0 DCADHO COCCC[NH+]1CCC(N2CCN(CC(C)(C)O)CC2)CC1 ZINC001172258227 769467323 /nfs/dbraw/zinc/46/73/23/769467323.db2.gz XCWJFRIQMXLWGT-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152222712 769509414 /nfs/dbraw/zinc/50/94/14/769509414.db2.gz AXSBDIZGSCCPSW-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCNC(=O)CNCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237325 769512613 /nfs/dbraw/zinc/51/26/13/769512613.db2.gz NHHVHZAHHDXZIX-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152349187 769532960 /nfs/dbraw/zinc/53/29/60/769532960.db2.gz WBQDFHPRGQQIKX-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001152427338 769552834 /nfs/dbraw/zinc/55/28/34/769552834.db2.gz VZWQQHUEVRNQGG-UHFFFAOYSA-N 1 3 315.462 0.130 20 0 DCADHO COc1cccc([C@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C)c1 ZINC001152432122 769553176 /nfs/dbraw/zinc/55/31/76/769553176.db2.gz GBDCJBUQVGEHDP-MRXNPFEDSA-N 1 3 323.437 0.775 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC001152459048 769566202 /nfs/dbraw/zinc/56/62/02/769566202.db2.gz XOQSZTCINIVDGJ-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO COCCC1([NH3+])CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173741245 769706752 /nfs/dbraw/zinc/70/67/52/769706752.db2.gz BMVIXNQCYHWWEP-UONOGXRCSA-N 1 3 308.430 0.987 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235041784 769749735 /nfs/dbraw/zinc/74/97/35/769749735.db2.gz SNKBMHNPYIHQAX-DGCLKSJQSA-N 1 3 308.451 0.599 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)NCCNCC(=O)N1CCC1 ZINC001153309851 769779022 /nfs/dbraw/zinc/77/90/22/769779022.db2.gz SLBOFOHTQRLKJO-UHFFFAOYSA-N 1 3 310.442 0.191 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001174691967 769781030 /nfs/dbraw/zinc/78/10/30/769781030.db2.gz NYUCBMDTTGRIAS-ZDUSSCGKSA-N 1 3 321.425 0.273 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)NCCN[C@H]1CCCNC1=O ZINC001153314045 769781379 /nfs/dbraw/zinc/78/13/79/769781379.db2.gz BCJDYJRIXXPHJW-AWEZNQCLSA-N 1 3 310.442 0.237 20 0 DCADHO CN1CCN(Cc2cn3c(n2)CN(CCCC[NH3+])CC3)CC1 ZINC001235540982 769883759 /nfs/dbraw/zinc/88/37/59/769883759.db2.gz GKARNEJKNDJAGH-UHFFFAOYSA-N 1 3 306.458 0.185 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCN(C2CC[NH2+]CC2)CC1 ZINC001235699864 769934626 /nfs/dbraw/zinc/93/46/26/769934626.db2.gz SWPBHACYCLZSRV-UKRRQHHQSA-N 1 3 316.440 0.847 20 0 DCADHO CN1CC2(C1)CC[NH+](C[C@@H]1O[C@H]3OC(C)(C)O[C@H]3[C@@H]1O)CC2 ZINC001236088724 769979715 /nfs/dbraw/zinc/97/97/15/769979715.db2.gz ICDZKGLXXCPSOD-CRWXNKLISA-N 1 3 312.410 0.251 20 0 DCADHO Cc1cnc([C@H](C)NCCCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001176057500 770026507 /nfs/dbraw/zinc/02/65/07/770026507.db2.gz PFEVPFPBTOFESF-KBPBESRZSA-N 1 3 305.426 0.894 20 0 DCADHO Cc1cnc([C@H](C)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001176057500 770026520 /nfs/dbraw/zinc/02/65/20/770026520.db2.gz PFEVPFPBTOFESF-KBPBESRZSA-N 1 3 305.426 0.894 20 0 DCADHO Cc1nc(C[NH2+]CCCNC(=O)[C@@H](C)CN2CCOCC2)co1 ZINC001176161790 770049047 /nfs/dbraw/zinc/04/90/47/770049047.db2.gz RQPBYPFTRWCBFZ-ZDUSSCGKSA-N 1 3 324.425 0.547 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](CC)C(N)=O ZINC001176285995 770060725 /nfs/dbraw/zinc/06/07/25/770060725.db2.gz SBXLIESWTULUSB-ZIAGYGMSSA-N 1 3 314.474 0.857 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC ZINC001176284467 770061480 /nfs/dbraw/zinc/06/14/80/770061480.db2.gz IDPUQRHBSIOJAM-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CCN(CC)CCN(CC)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239083987 770177112 /nfs/dbraw/zinc/17/71/12/770177112.db2.gz DAXIMPPJUUEJNU-UHFFFAOYSA-N 1 3 305.488 0.980 20 0 DCADHO NCCS(=O)(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239155460 770194973 /nfs/dbraw/zinc/19/49/73/770194973.db2.gz DFKYKHLEEFEZRL-HDJSIYSDSA-N 1 3 312.439 0.442 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+][C@H]2CCNC2=O)c1 ZINC001176890104 770212606 /nfs/dbraw/zinc/21/26/06/770212606.db2.gz MWXHOKGNGPYASW-HNNXBMFYSA-N 1 3 318.421 0.346 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930582 770231080 /nfs/dbraw/zinc/23/10/80/770231080.db2.gz MGYYTSMYCIFTQC-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO CC(C)[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972378 770264139 /nfs/dbraw/zinc/26/41/39/770264139.db2.gz YPTFENSQZNQBOX-AWEZNQCLSA-N 1 3 314.474 0.583 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001176986976 770274410 /nfs/dbraw/zinc/27/44/10/770274410.db2.gz YMCAQBHCNRFUML-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCCCN2CC)C1=O ZINC001176991682 770280877 /nfs/dbraw/zinc/28/08/77/770280877.db2.gz CHWUHHCFHWNUPM-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](CCF)[C@H](C)CNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001154837036 770312315 /nfs/dbraw/zinc/31/23/15/770312315.db2.gz ITFGEKTXBJKIND-KGLIPLIRSA-N 1 3 303.422 0.892 20 0 DCADHO CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001154837036 770312327 /nfs/dbraw/zinc/31/23/27/770312327.db2.gz ITFGEKTXBJKIND-KGLIPLIRSA-N 1 3 303.422 0.892 20 0 DCADHO c1cc(N[C@@H]2COCCC23C[NH2+]C3)nc(N2CCOCC2)c1 ZINC001155470128 770512642 /nfs/dbraw/zinc/51/26/42/770512642.db2.gz RMGYMJMGEXFURA-CYBMUJFWSA-N 1 3 304.394 0.709 20 0 DCADHO CN1CCN(c2cccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)n2)CC1 ZINC001155543520 770540172 /nfs/dbraw/zinc/54/01/72/770540172.db2.gz KHSMZHFCSPTGHV-CZUORRHYSA-N 1 3 303.410 0.376 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1(c2ncccn2)CC1 ZINC001178352214 770713122 /nfs/dbraw/zinc/71/31/22/770713122.db2.gz JJAMTFWBGRWRHA-UHFFFAOYSA-N 1 3 304.398 0.572 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356749 770731550 /nfs/dbraw/zinc/73/15/50/770731550.db2.gz QOOFTAMHVOPTTL-KKUMJFAQSA-N 1 3 324.469 0.526 20 0 DCADHO CN(C)C1(C(=O)NCCCCCC[NH2+][C@H]2CCNC2=O)CCC1 ZINC001178688536 770834743 /nfs/dbraw/zinc/83/47/43/770834743.db2.gz LOCLGXYUIJBBHP-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001178698210 770840418 /nfs/dbraw/zinc/84/04/18/770840418.db2.gz BTDHAOJOXHFWBX-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C ZINC001178698535 770841949 /nfs/dbraw/zinc/84/19/49/770841949.db2.gz KPPOYUCAWYGPLO-HNNXBMFYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]([NH2+]CCCCCCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001178702603 770843983 /nfs/dbraw/zinc/84/39/83/770843983.db2.gz SYWHHAPFPNTJRZ-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C ZINC001179766614 771014407 /nfs/dbraw/zinc/01/44/07/771014407.db2.gz VEVRTUHHCYNYLM-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)COCC[NH+](C)C ZINC001179929876 771036060 /nfs/dbraw/zinc/03/60/60/771036060.db2.gz ZFUAJLGESTZEIQ-ZFWWWQNUSA-N 1 3 323.441 0.077 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C ZINC001179983169 771043259 /nfs/dbraw/zinc/04/32/59/771043259.db2.gz NFYSTWDZIBKZLH-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124803 771066067 /nfs/dbraw/zinc/06/60/67/771066067.db2.gz SZUDUYOXSOBTEN-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124803 771066074 /nfs/dbraw/zinc/06/60/74/771066074.db2.gz SZUDUYOXSOBTEN-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001180226713 771077892 /nfs/dbraw/zinc/07/78/92/771077892.db2.gz HVSKGKDTQZQZQQ-KBPBESRZSA-N 1 3 308.430 0.197 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCc2ccc3c(c2)OCCO3)C1 ZINC001151049466 771319010 /nfs/dbraw/zinc/31/90/10/771319010.db2.gz PRYIGALKMBUFCW-AWEZNQCLSA-N 1 3 319.405 0.615 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCc2ccc3c(c2)OCCO3)C1 ZINC001151049466 771319015 /nfs/dbraw/zinc/31/90/15/771319015.db2.gz PRYIGALKMBUFCW-AWEZNQCLSA-N 1 3 319.405 0.615 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001181673783 771330654 /nfs/dbraw/zinc/33/06/54/771330654.db2.gz JPRYVRVCVBODSD-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CCCCCC2)C1 ZINC001151065987 771357691 /nfs/dbraw/zinc/35/76/91/771357691.db2.gz OZNYLGNMZBISGZ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CCCCCC2)C1 ZINC001151065987 771357695 /nfs/dbraw/zinc/35/76/95/771357695.db2.gz OZNYLGNMZBISGZ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CN1CCC(O)(C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001182032846 771391277 /nfs/dbraw/zinc/39/12/77/771391277.db2.gz VDUQQKQCEBPFGV-UHFFFAOYSA-N 1 3 307.438 0.387 20 0 DCADHO CN1CCC(O)(C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001182032846 771391282 /nfs/dbraw/zinc/39/12/82/771391282.db2.gz VDUQQKQCEBPFGV-UHFFFAOYSA-N 1 3 307.438 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCCO)C2)C1 ZINC001182630463 771516971 /nfs/dbraw/zinc/51/69/71/771516971.db2.gz XKBDRPDGADKWFE-ZMSDIMECSA-N 1 3 311.470 0.785 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)CC[N@@H+]1C ZINC001182676218 771526598 /nfs/dbraw/zinc/52/65/98/771526598.db2.gz FJYSOIKHONIPTN-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)CC[N@H+]1C ZINC001182676218 771526602 /nfs/dbraw/zinc/52/66/02/771526602.db2.gz FJYSOIKHONIPTN-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO O=C(NCc1cc2n(n1)CCCO2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157082126 771529219 /nfs/dbraw/zinc/52/92/19/771529219.db2.gz IQOVGYQKKNGFHR-ZDUSSCGKSA-N 1 3 319.409 0.156 20 0 DCADHO O=C(NCc1cc2n(n1)CCCO2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157082126 771529225 /nfs/dbraw/zinc/52/92/25/771529225.db2.gz IQOVGYQKKNGFHR-ZDUSSCGKSA-N 1 3 319.409 0.156 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289048 771632756 /nfs/dbraw/zinc/63/27/56/771632756.db2.gz QMBGVKHMZXAPBD-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289353 771632884 /nfs/dbraw/zinc/63/28/84/771632884.db2.gz USRYRPQZEHIADQ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001183516915 771654066 /nfs/dbraw/zinc/65/40/66/771654066.db2.gz FMEYNJIDIDTYIN-BFYDXBDKSA-N 1 3 311.470 0.927 20 0 DCADHO CN1CCN(C(=N)Nc2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001157914956 771691948 /nfs/dbraw/zinc/69/19/48/771691948.db2.gz JBCAEISARXJSAM-UHFFFAOYSA-N 1 3 303.414 0.538 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2cc3c(cc2C1)OCO3 ZINC001157984172 771707453 /nfs/dbraw/zinc/70/74/53/771707453.db2.gz YASCBFMPYMBWCA-ZDUSSCGKSA-N 1 3 315.373 0.109 20 0 DCADHO CN1CCNC[C@H]1C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158031780 771717008 /nfs/dbraw/zinc/71/70/08/771717008.db2.gz OFDSURFJSJPWLA-RDJZCZTQSA-N 1 3 308.470 0.662 20 0 DCADHO N[C@H](C(=O)N1C[C@H]2c3ccccc3C(=O)[C@H]2C1)C1CC[NH2+]CC1 ZINC001158179551 771735108 /nfs/dbraw/zinc/73/51/08/771735108.db2.gz NVDVUWJSMYSIHD-JYJNAYRXSA-N 1 3 313.401 0.752 20 0 DCADHO CCn1cnc2c1ncnc2N1CCC([N@@H+]2CC[C@H](N)C2)CC1 ZINC001158266563 771750715 /nfs/dbraw/zinc/75/07/15/771750715.db2.gz CUKJKUWTIZCTNY-LBPRGKRZSA-N 1 3 315.425 0.848 20 0 DCADHO CCn1cnc2c1ncnc2N1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001158266563 771750718 /nfs/dbraw/zinc/75/07/18/771750718.db2.gz CUKJKUWTIZCTNY-LBPRGKRZSA-N 1 3 315.425 0.848 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184553984 771798496 /nfs/dbraw/zinc/79/84/96/771798496.db2.gz HCRYKQNVEYSWCC-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC(C)(C)C ZINC001184876743 771840620 /nfs/dbraw/zinc/84/06/20/771840620.db2.gz LZHQEXFMRISSFS-MGPQQGTHSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001184877081 771840842 /nfs/dbraw/zinc/84/08/42/771840842.db2.gz QVPRGXWINNUHHI-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO [NH3+]CCCNCC(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001159133597 771864384 /nfs/dbraw/zinc/86/43/84/771864384.db2.gz JWQVLIDPCCFNOY-JKSUJKDBSA-N 1 3 317.437 0.195 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(=O)N(C)C ZINC001185166758 771871873 /nfs/dbraw/zinc/87/18/73/771871873.db2.gz KTVWRXXWMYKDOG-LJISPDSOSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(=O)N(C)C ZINC001185166758 771871878 /nfs/dbraw/zinc/87/18/78/771871878.db2.gz KTVWRXXWMYKDOG-LJISPDSOSA-N 1 3 324.469 0.384 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCCCC2)C1 ZINC001185408379 771916403 /nfs/dbraw/zinc/91/64/03/771916403.db2.gz QPHNHMUFZYJPEC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001185650367 771939972 /nfs/dbraw/zinc/93/99/72/771939972.db2.gz HSYAFTYHOSKEMV-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H](N)CCC[NH3+])CC[C@@H]21 ZINC001159783743 771957510 /nfs/dbraw/zinc/95/75/10/771957510.db2.gz WWQGCGNBQYPPEM-MCIONIFRSA-N 1 3 310.442 0.158 20 0 DCADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001159863122 771969995 /nfs/dbraw/zinc/96/99/95/771969995.db2.gz NOOZLXLUYRBFFR-STQMWFEESA-N 1 3 310.442 0.160 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915735 771976769 /nfs/dbraw/zinc/97/67/69/771976769.db2.gz MVILYXJLEBCNJE-AWEZNQCLSA-N 1 3 301.431 0.086 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCCC1)C1CC1 ZINC001159917528 771977539 /nfs/dbraw/zinc/97/75/39/771977539.db2.gz YYJZOHKKUUJBPV-MRXNPFEDSA-N 1 3 324.469 0.481 20 0 DCADHO CCn1cc(CC[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cn1 ZINC001159926042 771978124 /nfs/dbraw/zinc/97/81/24/771978124.db2.gz YVXPVEIQOQTYNA-INIZCTEOSA-N 1 3 321.469 0.882 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001160427811 772036971 /nfs/dbraw/zinc/03/69/71/772036971.db2.gz USGSRPBFIKNTIU-ZDUSSCGKSA-N 1 3 321.487 0.103 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N(CCO)Cc1cccs1 ZINC001160443298 772040015 /nfs/dbraw/zinc/04/00/15/772040015.db2.gz GRTFIMDPUJPLJZ-AWEZNQCLSA-N 1 3 323.462 0.943 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N(CCO)Cc1cccs1 ZINC001160443298 772040020 /nfs/dbraw/zinc/04/00/20/772040020.db2.gz GRTFIMDPUJPLJZ-AWEZNQCLSA-N 1 3 323.462 0.943 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001186453156 772042061 /nfs/dbraw/zinc/04/20/61/772042061.db2.gz YSMDFYBLMIJWGV-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001186451214 772042620 /nfs/dbraw/zinc/04/26/20/772042620.db2.gz CTKOPVKMFVWKPY-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001160477075 772046076 /nfs/dbraw/zinc/04/60/76/772046076.db2.gz SPSMITBSLMKOOW-OLZOCXBDSA-N 1 3 323.437 0.376 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001186489310 772046142 /nfs/dbraw/zinc/04/61/42/772046142.db2.gz ZVGFRBGGQPCUSW-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@H]1Cc1ccccn1 ZINC001160544172 772061627 /nfs/dbraw/zinc/06/16/27/772061627.db2.gz HLHBCXNTTUHZQP-LSDHHAIUSA-N 1 3 300.406 0.424 20 0 DCADHO Cc1nc([C@H]2CCCCN2C(=O)[C@H](N)C2CC[NH2+]CC2)no1 ZINC001160548361 772062442 /nfs/dbraw/zinc/06/24/42/772062442.db2.gz DSQVFLRVYMVSJV-CHWSQXEVSA-N 1 3 307.398 0.759 20 0 DCADHO Cc1nc([C@H]2CCCCN2C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)no1 ZINC001160549199 772063405 /nfs/dbraw/zinc/06/34/05/772063405.db2.gz NEEQRKTWYBVWKD-XJKCOSOUSA-N 1 3 319.409 0.631 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@@H]([NH3+])[C@@H](F)C2)cc1 ZINC001160647589 772086292 /nfs/dbraw/zinc/08/62/92/772086292.db2.gz OKOLOWBCJWAYCI-ZNMIVQPWSA-N 1 3 309.385 0.853 20 0 DCADHO CCc1noc([C@H]2CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)n1 ZINC001160741180 772104219 /nfs/dbraw/zinc/10/42/19/772104219.db2.gz GPKJGNYTLXLJRN-NWDGAFQWSA-N 1 3 319.409 0.147 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160878182 772131386 /nfs/dbraw/zinc/13/13/86/772131386.db2.gz HJUCKSUZFWZHCC-GFCCVEGCSA-N 1 3 318.377 0.136 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1)N(C)C ZINC001160889293 772132795 /nfs/dbraw/zinc/13/27/95/772132795.db2.gz HCLVSMWPKFLEQK-GXTWGEPZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(CC)CC)N(C)C ZINC001160889533 772133038 /nfs/dbraw/zinc/13/30/38/772133038.db2.gz MGXSIMNNPXGCRQ-ZIAGYGMSSA-N 1 3 314.474 0.679 20 0 DCADHO N[C@H](C(=O)N1CCOC[C@@H]1c1cccnc1)C1CC[NH2+]CC1 ZINC001160950814 772142112 /nfs/dbraw/zinc/14/21/12/772142112.db2.gz HNGLGPZQTHLGTL-CABCVRRESA-N 1 3 304.394 0.308 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001187241270 772152332 /nfs/dbraw/zinc/15/23/32/772152332.db2.gz VRVUIKGKLUBSJO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCc2nc(C)no2)C1 ZINC001187323073 772165749 /nfs/dbraw/zinc/16/57/49/772165749.db2.gz XBXMKCDQXXAIOZ-CQSZACIVSA-N 1 3 323.441 0.843 20 0 DCADHO CC(C)(C)CN(C(=O)[C@@H](N)Cc1c[nH]cn1)C1CC[NH2+]CC1 ZINC001161253794 772192153 /nfs/dbraw/zinc/19/21/53/772192153.db2.gz ZPVDHHNRLPOHCU-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CC(C)(C)CN(C(=O)[C@@H](N)Cc1cnc[nH]1)C1CC[NH2+]CC1 ZINC001161253794 772192155 /nfs/dbraw/zinc/19/21/55/772192155.db2.gz ZPVDHHNRLPOHCU-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO COc1cc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c(N)cn1 ZINC001161448649 772225205 /nfs/dbraw/zinc/22/52/05/772225205.db2.gz FLOCTQQJJOXVSI-GFCCVEGCSA-N 1 3 321.425 0.428 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001187825205 772231308 /nfs/dbraw/zinc/23/13/08/772231308.db2.gz FWYGQBZAVUABSG-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001187825205 772231310 /nfs/dbraw/zinc/23/13/10/772231310.db2.gz FWYGQBZAVUABSG-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001187842070 772233205 /nfs/dbraw/zinc/23/32/05/772233205.db2.gz JXHBABWCGLPENT-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO N[C@@]1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CCc2cc(F)ccc2C1 ZINC001161509158 772236743 /nfs/dbraw/zinc/23/67/43/772236743.db2.gz IJNWZNAUHWVLCT-PBHICJAKSA-N 1 3 319.380 0.198 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001188145722 772271603 /nfs/dbraw/zinc/27/16/03/772271603.db2.gz LIKQJHSFMDKTGV-OAHLLOKOSA-N 1 3 320.437 0.416 20 0 DCADHO CCn1nncc1CNCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789174 772283426 /nfs/dbraw/zinc/28/34/26/772283426.db2.gz HXCYQQUIFBKGDB-UHFFFAOYSA-N 1 3 320.441 0.522 20 0 DCADHO CC(C)=CC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162852363 772425627 /nfs/dbraw/zinc/42/56/27/772425627.db2.gz YQQCELFZNBYWOG-ISXOHVOVSA-N 1 3 307.438 0.912 20 0 DCADHO O=C(NCCC[NH2+]C/C=C/Cl)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872394 772427104 /nfs/dbraw/zinc/42/71/04/772427104.db2.gz QHZQSYFJRSOMLX-KHUZYTPFSA-N 1 3 313.829 0.698 20 0 DCADHO O=C(NCCC[NH2+]CC1CCC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872587 772428085 /nfs/dbraw/zinc/42/80/85/772428085.db2.gz XGXWVRUQQHCEDJ-ISXOHVOVSA-N 1 3 307.438 0.746 20 0 DCADHO CCOC(=O)c1ccc(NC(=N)NCC[NH+](CC)CC)nn1 ZINC001163122849 772468168 /nfs/dbraw/zinc/46/81/68/772468168.db2.gz SCDFSUVQZDBJII-UHFFFAOYSA-N 1 3 308.386 0.931 20 0 DCADHO c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc2c1C1(CNC1)OC2 ZINC001163158333 772474163 /nfs/dbraw/zinc/47/41/63/772474163.db2.gz JDZXVZVLUBQPPX-BBRMVZONSA-N 1 3 301.390 0.663 20 0 DCADHO CN1CCOc2c1cnnc2N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163309568 772504022 /nfs/dbraw/zinc/50/40/22/772504022.db2.gz IISPSKMFOFCSJT-NHYWBVRUSA-N 1 3 305.382 0.628 20 0 DCADHO c1nc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc2c1CCNC2 ZINC001163646595 772551903 /nfs/dbraw/zinc/55/19/03/772551903.db2.gz TWNIAMKYLPTENA-GOEBONIOSA-N 1 3 303.410 0.835 20 0 DCADHO Cn1cncc1C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163821251 772577463 /nfs/dbraw/zinc/57/74/63/772577463.db2.gz MGUDAHLHMUMLTD-HNNXBMFYSA-N 1 3 319.453 0.890 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCCNCc2cnnn2C)C1 ZINC001164449526 772660543 /nfs/dbraw/zinc/66/05/43/772660543.db2.gz KURUKNLBOXYVNO-AWEZNQCLSA-N 1 3 322.457 0.533 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCCNCc2cnnn2C)C1 ZINC001164449526 772660547 /nfs/dbraw/zinc/66/05/47/772660547.db2.gz KURUKNLBOXYVNO-AWEZNQCLSA-N 1 3 322.457 0.533 20 0 DCADHO Cc1nc(N(C)C)cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)n1 ZINC001165345308 772726036 /nfs/dbraw/zinc/72/60/36/772726036.db2.gz WAAGKBSDTBCJTQ-MRXNPFEDSA-N 1 3 321.425 0.436 20 0 DCADHO Cc1cccc(NC(=O)CNCCCNC(=O)CC[NH+](C)C)c1 ZINC001165794647 772763652 /nfs/dbraw/zinc/76/36/52/772763652.db2.gz ZPKGMIZYUOIBDW-UHFFFAOYSA-N 1 3 320.437 0.981 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626129 772830336 /nfs/dbraw/zinc/83/03/36/772830336.db2.gz BGFWBNBQHQTTOI-AWEZNQCLSA-N 1 3 301.431 0.230 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001166633563 772832355 /nfs/dbraw/zinc/83/23/55/772832355.db2.gz HDRYHKWEPZUJKY-ZDUSSCGKSA-N 1 3 321.425 0.565 20 0 DCADHO COc1nccc(CNCCCNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001166633563 772832357 /nfs/dbraw/zinc/83/23/57/772832357.db2.gz HDRYHKWEPZUJKY-ZDUSSCGKSA-N 1 3 321.425 0.565 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001166677592 772838541 /nfs/dbraw/zinc/83/85/41/772838541.db2.gz KMFGTKKBVAKORN-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001166678173 772839062 /nfs/dbraw/zinc/83/90/62/772839062.db2.gz UHYGTSOPZAFYLM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001166677822 772839281 /nfs/dbraw/zinc/83/92/81/772839281.db2.gz NSLRHRJBJQMQFT-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001166677821 772839372 /nfs/dbraw/zinc/83/93/72/772839372.db2.gz NSLRHRJBJQMQFT-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001166677938 772839550 /nfs/dbraw/zinc/83/95/50/772839550.db2.gz QULICCAVUKBQGS-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001166677938 772839555 /nfs/dbraw/zinc/83/95/55/772839555.db2.gz QULICCAVUKBQGS-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO C[C@H](O)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687025 772840425 /nfs/dbraw/zinc/84/04/25/772840425.db2.gz HHSPEHOUCILZOX-SWLSCSKDSA-N 1 3 303.422 0.676 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166691079 772841327 /nfs/dbraw/zinc/84/13/27/772841327.db2.gz KHGGYLAIDWUKKC-JQWIXIFHSA-N 1 3 311.455 0.640 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166691079 772841332 /nfs/dbraw/zinc/84/13/32/772841332.db2.gz KHGGYLAIDWUKKC-JQWIXIFHSA-N 1 3 311.455 0.640 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCN2CCCC2=O)C1 ZINC001166736675 772854311 /nfs/dbraw/zinc/85/43/11/772854311.db2.gz RCASTIVREQWFMP-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)N1CCC1)CC(C)(C)C ZINC001166744014 772854879 /nfs/dbraw/zinc/85/48/79/772854879.db2.gz CSGWBNLHFNDBBN-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019270 772858600 /nfs/dbraw/zinc/85/86/00/772858600.db2.gz WHHCJHRGLMUNBS-CQSZACIVSA-N 1 3 320.441 0.153 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)CC)N(C)C ZINC001166851864 772870554 /nfs/dbraw/zinc/87/05/54/772870554.db2.gz JDZLBDQNSDOFML-ZDUSSCGKSA-N 1 3 321.487 0.247 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203640658 772917115 /nfs/dbraw/zinc/91/71/15/772917115.db2.gz GFSDOHZQINJBLO-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC)C12CCC2 ZINC001203651858 772917962 /nfs/dbraw/zinc/91/79/62/772917962.db2.gz QEXJDVJZBGHEBL-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001203902216 772929101 /nfs/dbraw/zinc/92/91/01/772929101.db2.gz DDXUWNVFYHUKCX-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC(C[NH2+]CCF)CC1 ZINC001205345283 772988395 /nfs/dbraw/zinc/98/83/95/772988395.db2.gz OBHDIDGLNFGAFU-HUUCEWRRSA-N 1 3 313.417 0.647 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457546 772993675 /nfs/dbraw/zinc/99/36/75/772993675.db2.gz DGDJAVNDPHGZGP-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193016205 772996114 /nfs/dbraw/zinc/99/61/14/772996114.db2.gz UTFQIALKOBDYCX-SHWSTLTGSA-N 1 3 321.465 0.846 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC(=O)N(C)C)CC1 ZINC001206275002 773061213 /nfs/dbraw/zinc/06/12/13/773061213.db2.gz NTBLHSANUDEDON-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001206275144 773061338 /nfs/dbraw/zinc/06/13/38/773061338.db2.gz OFPRFLDQOPRKPP-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331048 773435998 /nfs/dbraw/zinc/43/59/98/773435998.db2.gz JVPPUEXWPWRUDB-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331048 773436000 /nfs/dbraw/zinc/43/60/00/773436000.db2.gz JVPPUEXWPWRUDB-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001208334954 773436109 /nfs/dbraw/zinc/43/61/09/773436109.db2.gz OVHQIGSOZGMBMZ-GDBMZVCRSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001208339956 773436697 /nfs/dbraw/zinc/43/66/97/773436697.db2.gz HSFOUPGCSYNYET-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340177 773437761 /nfs/dbraw/zinc/43/77/61/773437761.db2.gz KBOBXKIQIJSKEY-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209243752 773573773 /nfs/dbraw/zinc/57/37/73/773573773.db2.gz WIMWXBQJNWDJRP-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209243752 773573776 /nfs/dbraw/zinc/57/37/76/773573776.db2.gz WIMWXBQJNWDJRP-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001209315206 773589958 /nfs/dbraw/zinc/58/99/58/773589958.db2.gz ORWVWUUUCCMZFN-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001209416951 773603026 /nfs/dbraw/zinc/60/30/26/773603026.db2.gz VCTSSGJZAPTUJC-HZPDHXFCSA-N 1 3 322.497 0.813 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001209447048 773605871 /nfs/dbraw/zinc/60/58/71/773605871.db2.gz WJMLFUCTKWNHIA-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001209446752 773606158 /nfs/dbraw/zinc/60/61/58/773606158.db2.gz UVGNFVKRIAAGGJ-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001209446756 773606390 /nfs/dbraw/zinc/60/63/90/773606390.db2.gz UVGNFVKRIAAGGJ-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1C ZINC001210033695 773668505 /nfs/dbraw/zinc/66/85/05/773668505.db2.gz WFIVEXSOUBWPMA-HUUCEWRRSA-N 1 3 315.458 0.428 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOCCOC)C[C@H]1C ZINC001210033695 773668507 /nfs/dbraw/zinc/66/85/07/773668507.db2.gz WFIVEXSOUBWPMA-HUUCEWRRSA-N 1 3 315.458 0.428 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001210217386 773686481 /nfs/dbraw/zinc/68/64/81/773686481.db2.gz HWUFIVQVLRHUNE-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210282049 773693805 /nfs/dbraw/zinc/69/38/05/773693805.db2.gz BOOZYWYTQPSRNZ-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001210493755 773714182 /nfs/dbraw/zinc/71/41/82/773714182.db2.gz OUFHUTRHALSNIN-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001210493755 773714185 /nfs/dbraw/zinc/71/41/85/773714185.db2.gz OUFHUTRHALSNIN-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673555 773728712 /nfs/dbraw/zinc/72/87/12/773728712.db2.gz DTVBWQWDEFCNOD-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673555 773728715 /nfs/dbraw/zinc/72/87/15/773728715.db2.gz DTVBWQWDEFCNOD-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210675845 773729057 /nfs/dbraw/zinc/72/90/57/773729057.db2.gz ASSRVSIUJPDQLS-AWEZNQCLSA-N 1 3 323.441 0.079 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001210788992 773739603 /nfs/dbraw/zinc/73/96/03/773739603.db2.gz LMULQOFCFLABEF-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001210812412 773741680 /nfs/dbraw/zinc/74/16/80/773741680.db2.gz ZJYPKACVUFNVEZ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211025986 773760198 /nfs/dbraw/zinc/76/01/98/773760198.db2.gz QUOAOVFKVPEVFS-QLFBSQMISA-N 1 3 313.442 0.038 20 0 DCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211025986 773760201 /nfs/dbraw/zinc/76/02/01/773760201.db2.gz QUOAOVFKVPEVFS-QLFBSQMISA-N 1 3 313.442 0.038 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001211277722 773788691 /nfs/dbraw/zinc/78/86/91/773788691.db2.gz NXHMZICYKOUNOX-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](F)CCN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832021 773803834 /nfs/dbraw/zinc/80/38/34/773803834.db2.gz HBNKZHXBDLWJMG-AWEZNQCLSA-N 1 3 303.422 0.847 20 0 DCADHO CCCCCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825981 773813981 /nfs/dbraw/zinc/81/39/81/773813981.db2.gz KBGVCAYLRBLNOR-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCn1cccn1 ZINC001152384327 773832648 /nfs/dbraw/zinc/83/26/48/773832648.db2.gz RLGYCCFMCCPXLP-UHFFFAOYSA-N 1 3 315.421 0.964 20 0 DCADHO CO[C@@H]1CN(CC[C@H](C)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342446 773835709 /nfs/dbraw/zinc/83/57/09/773835709.db2.gz XVGNTDOPJMMHRA-BFHYXJOUSA-N 1 3 315.433 0.892 20 0 DCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001213857562 773894174 /nfs/dbraw/zinc/89/41/74/773894174.db2.gz OXABTSHRIMKUKP-RBSFLKMASA-N 1 3 315.433 0.893 20 0 DCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001213857562 773894182 /nfs/dbraw/zinc/89/41/82/773894182.db2.gz OXABTSHRIMKUKP-RBSFLKMASA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446423 773916315 /nfs/dbraw/zinc/91/63/15/773916315.db2.gz YMKCZSPOCBEQCM-AWEZNQCLSA-N 1 3 314.474 0.583 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214336090 773961043 /nfs/dbraw/zinc/96/10/43/773961043.db2.gz TZYDXMIELOSFCO-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001214344025 773961697 /nfs/dbraw/zinc/96/16/97/773961697.db2.gz MLPBZJVOIVGIAU-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001214344024 773962309 /nfs/dbraw/zinc/96/23/09/773962309.db2.gz MLPBZJVOIVGIAU-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001214904662 774023983 /nfs/dbraw/zinc/02/39/83/774023983.db2.gz CRWWWIGYXQOXTI-XPKDYRNWSA-N 1 3 324.469 0.288 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216382751 774115070 /nfs/dbraw/zinc/11/50/70/774115070.db2.gz BTBCJOWAXQMLCS-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216382751 774115076 /nfs/dbraw/zinc/11/50/76/774115076.db2.gz BTBCJOWAXQMLCS-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1nccn1CC1CC1 ZINC001199455406 774115805 /nfs/dbraw/zinc/11/58/05/774115805.db2.gz UKXHUXWEPMCZSH-UHFFFAOYSA-N 1 3 306.414 0.971 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC)C1 ZINC001216506974 774120071 /nfs/dbraw/zinc/12/00/71/774120071.db2.gz OUSLTUAYCOCRAR-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC)C1 ZINC001216506974 774120075 /nfs/dbraw/zinc/12/00/75/774120075.db2.gz OUSLTUAYCOCRAR-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC(N)=O ZINC001216773016 774136169 /nfs/dbraw/zinc/13/61/69/774136169.db2.gz VHSGFMZSAGNMML-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO Cn1nc(-c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)c2c1CNC2 ZINC001217689885 774191940 /nfs/dbraw/zinc/19/19/40/774191940.db2.gz YYRCMCTWYABFBS-UHFFFAOYSA-N 1 3 323.360 0.781 20 0 DCADHO c1cc(O[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)n2nc3c(c2n1)CNCC3 ZINC001218129625 774212970 /nfs/dbraw/zinc/21/29/70/774212970.db2.gz MZCSYLKOXUCSMK-ZBEGNZNMSA-N 1 3 315.377 0.275 20 0 DCADHO c1cc(O[C@H]2C[NH2+][C@@H]3CCCO[C@@H]32)n2nc3c(c2n1)CNCC3 ZINC001218167250 774214861 /nfs/dbraw/zinc/21/48/61/774214861.db2.gz XJKPXMSGBAYRNJ-IPYPFGDCSA-N 1 3 315.377 0.273 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)NC1CC1 ZINC001199827043 774218789 /nfs/dbraw/zinc/21/87/89/774218789.db2.gz RMQWRJZVFXLXPK-DOMZBBRYSA-N 1 3 322.453 0.328 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001199826119 774218920 /nfs/dbraw/zinc/21/89/20/774218920.db2.gz GCEWXGUJVXYGAP-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC001199827226 774218937 /nfs/dbraw/zinc/21/89/37/774218937.db2.gz SVPZFHXBOCVTMJ-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218512879 774233234 /nfs/dbraw/zinc/23/32/34/774233234.db2.gz USQIEAWENLSSRH-MEBBXXQBSA-N 1 3 321.381 0.032 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccnn1Cc1cccnc1 ZINC001218565260 774248671 /nfs/dbraw/zinc/24/86/71/774248671.db2.gz RXVQZHYKBKFADN-ZDUSSCGKSA-N 1 3 302.382 0.721 20 0 DCADHO N[C@H](C(=O)Nc1nc(Cl)nc2[nH]cnc21)C1CC[NH2+]CC1 ZINC001218589485 774257332 /nfs/dbraw/zinc/25/73/32/774257332.db2.gz SNNSMYCRSNYDGX-ZETCQYMHSA-N 1 3 309.761 0.272 20 0 DCADHO CN[C@H](C(=O)Nc1cnn(C2C[NH2+]C2)c1)[C@@H](C)OC(C)(C)C ZINC001218640536 774270521 /nfs/dbraw/zinc/27/05/21/774270521.db2.gz JGFDWUBNCNWKOL-MFKMUULPSA-N 1 3 309.414 0.758 20 0 DCADHO CCOC(=O)c1ncncc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218679214 774279777 /nfs/dbraw/zinc/27/97/77/774279777.db2.gz QFUKYBUWAKACGF-NSHDSACASA-N 1 3 323.397 0.651 20 0 DCADHO C[NH2+][C@H]1CCCN(CC(=O)Nc2cc([C@H]3CCCN3)no2)C1 ZINC001218709739 774285593 /nfs/dbraw/zinc/28/55/93/774285593.db2.gz AADPZPCKGPTQMA-NWDGAFQWSA-N 1 3 307.398 0.721 20 0 DCADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1C[C@@H](F)CCN1 ZINC001218725897 774289207 /nfs/dbraw/zinc/28/92/07/774289207.db2.gz AJGAUCWJOOMYIU-UHTWSYAYSA-N 1 3 308.357 0.851 20 0 DCADHO CCc1cc2ncc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cn2n1 ZINC001218733694 774291608 /nfs/dbraw/zinc/29/16/08/774291608.db2.gz KKNKBHZRWLHCOL-GFCCVEGCSA-N 1 3 300.366 0.039 20 0 DCADHO Cc1cnn(-c2ccccn2)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218742120 774293957 /nfs/dbraw/zinc/29/39/57/774293957.db2.gz URAKUBGXDAHKRN-GFCCVEGCSA-N 1 3 312.377 0.323 20 0 DCADHO Nc1cnc(N(C(=O)[C@H]2C[NH2+]CC23CNC3)C2CCCC2)nc1 ZINC001218747939 774296025 /nfs/dbraw/zinc/29/60/25/774296025.db2.gz ITVHSMJUEARKGO-CYBMUJFWSA-N 1 3 316.409 0.143 20 0 DCADHO N[C@H](C(=O)Nc1nc2n[nH]cc2c(Cl)n1)C1CC[NH2+]CC1 ZINC001218799594 774304936 /nfs/dbraw/zinc/30/49/36/774304936.db2.gz WEJSQYLUYOYICT-QMMMGPOBSA-N 1 3 309.761 0.272 20 0 DCADHO Nc1ccc(COCCO)c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001218918907 774327532 /nfs/dbraw/zinc/32/75/32/774327532.db2.gz XTBGVNYUCHNYKD-HNNXBMFYSA-N 1 3 322.409 0.043 20 0 DCADHO O=C(Nc1ccccc1-c1nc[nH]n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218975105 774338886 /nfs/dbraw/zinc/33/88/86/774338886.db2.gz KNYQXDGNJQKIGU-BDJLRTHQSA-N 1 3 312.377 0.609 20 0 DCADHO N[C@@H](C(=O)Nc1cccc(-n2nccn2)c1)C1CC[NH2+]CC1 ZINC001218985154 774341157 /nfs/dbraw/zinc/34/11/57/774341157.db2.gz WREHBQZGWPCXPE-CQSZACIVSA-N 1 3 300.366 0.533 20 0 DCADHO COC(=O)c1c(O)cccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218987367 774341395 /nfs/dbraw/zinc/34/13/95/774341395.db2.gz GBTMGTRCCNYOSE-ZDUSSCGKSA-N 1 3 307.350 0.444 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200634605 774381416 /nfs/dbraw/zinc/38/14/16/774381416.db2.gz HCJYRWBHLWPKBW-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CN(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCF)C1)C1CC1 ZINC001200687393 774389852 /nfs/dbraw/zinc/38/98/52/774389852.db2.gz ALKBTVNIEBUJON-GJZGRUSLSA-N 1 3 315.433 0.893 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC001219163898 774395166 /nfs/dbraw/zinc/39/51/66/774395166.db2.gz MFFGBGWCGPCWKH-LBPRGKRZSA-N 1 3 310.373 0.667 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037560 774443458 /nfs/dbraw/zinc/44/34/58/774443458.db2.gz MBYVDTMLCDMYFV-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CN1Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)c2C1=O ZINC001219361901 774463928 /nfs/dbraw/zinc/46/39/28/774463928.db2.gz ACCYKZDCFIDTSL-SJKOYZFVSA-N 1 3 314.389 0.410 20 0 DCADHO CN1CCc2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ccc2C1=O ZINC001219369985 774467931 /nfs/dbraw/zinc/46/79/31/774467931.db2.gz YFBVRDPSJIIYQE-CQSZACIVSA-N 1 3 314.389 0.062 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCCF)C2)C1 ZINC001201402777 774502098 /nfs/dbraw/zinc/50/20/98/774502098.db2.gz GCHDZWXMJSCGSW-HUUCEWRRSA-N 1 3 315.433 0.895 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201410057 774510198 /nfs/dbraw/zinc/51/01/98/774510198.db2.gz AWSQIOANCWLVLE-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CCn1nnc(-c2ccccc2NC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001219483069 774510491 /nfs/dbraw/zinc/51/04/91/774510491.db2.gz ONBHQSVRMOKOHP-LBPRGKRZSA-N 1 3 317.397 0.755 20 0 DCADHO O=C(C[C@H]1CNCCO1)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219537349 774528875 /nfs/dbraw/zinc/52/88/75/774528875.db2.gz LJCPKBNZSMQDQJ-WDMOLILDSA-N 1 3 303.362 0.451 20 0 DCADHO Cc1cccnc1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219572008 774540446 /nfs/dbraw/zinc/54/04/46/774540446.db2.gz YBTSNBCYKQJHJQ-RHSMWYFYSA-N 1 3 302.422 0.638 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCCOC)C1 ZINC001201930053 774572579 /nfs/dbraw/zinc/57/25/79/774572579.db2.gz AEQDNQLWHLGNED-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)CC[N@@H+]1C ZINC001219656345 774573063 /nfs/dbraw/zinc/57/30/63/774573063.db2.gz YZIISDZQALNESF-TUVASFSCSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)CC[N@H+]1C ZINC001219656345 774573066 /nfs/dbraw/zinc/57/30/66/774573066.db2.gz YZIISDZQALNESF-TUVASFSCSA-N 1 3 315.433 0.628 20 0 DCADHO Cc1cc(C)cc(OC[C@H](C)NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219711346 774587420 /nfs/dbraw/zinc/58/74/20/774587420.db2.gz CETFLNSDYAPPKX-GOEBONIOSA-N 1 3 317.433 0.996 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1O ZINC001219724696 774592915 /nfs/dbraw/zinc/59/29/15/774592915.db2.gz XSMLBFGPXIKWCA-MCIONIFRSA-N 1 3 303.422 0.484 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219724696 774592919 /nfs/dbraw/zinc/59/29/19/774592919.db2.gz XSMLBFGPXIKWCA-MCIONIFRSA-N 1 3 303.422 0.484 20 0 DCADHO COc1cccc([C@H](N)CC(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC001219736795 774594000 /nfs/dbraw/zinc/59/40/00/774594000.db2.gz HWSZYIPCFLJFKP-HUUCEWRRSA-N 1 3 319.405 0.580 20 0 DCADHO NC1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)Cc2ccccc2C1 ZINC001219801221 774612906 /nfs/dbraw/zinc/61/29/06/774612906.db2.gz VTGNQKQXKZBHBO-OAHLLOKOSA-N 1 3 315.417 0.368 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1csc2c1CCNC2 ZINC001219849917 774627413 /nfs/dbraw/zinc/62/74/13/774627413.db2.gz JOSAKHJQXPBVEG-SGMGOOAPSA-N 1 3 307.419 0.643 20 0 DCADHO N[C@H](C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1)C1CC[NH2+]CC1 ZINC001219891331 774639220 /nfs/dbraw/zinc/63/92/20/774639220.db2.gz RZXUSIBZMJLTTK-WFASDCNBSA-N 1 3 304.394 0.088 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H](O)COc1ccccc1 ZINC001219918088 774645899 /nfs/dbraw/zinc/64/58/99/774645899.db2.gz DRAYUKLJYGAVCK-HOCLYGCPSA-N 1 3 323.437 0.602 20 0 DCADHO CN1CCNC[C@@H]1C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219930810 774649686 /nfs/dbraw/zinc/64/96/86/774649686.db2.gz IDWVAVZGQWBROM-OAHLLOKOSA-N 1 3 317.437 0.068 20 0 DCADHO NC1(C(=O)NCc2cccnc2C2CC[NH2+]CC2)CC(F)C1 ZINC001219931602 774649827 /nfs/dbraw/zinc/64/98/27/774649827.db2.gz VOTKALRPWZWOKS-UHFFFAOYSA-N 1 3 306.385 0.994 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020747 774672484 /nfs/dbraw/zinc/67/24/84/774672484.db2.gz UHTXKBFWTCLZPE-HNNXBMFYSA-N 1 3 303.341 0.561 20 0 DCADHO CCOC(=O)C(F)(F)CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220096748 774692360 /nfs/dbraw/zinc/69/23/60/774692360.db2.gz JAALAKPONSBFGS-JTQLQIEISA-N 1 3 309.357 0.360 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496858 774730537 /nfs/dbraw/zinc/73/05/37/774730537.db2.gz ZMGBERMQWODGDF-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1cccn2cc(CNC(=O)[C@@H](N)CSCC[NH3+])nc12 ZINC001220278245 774754650 /nfs/dbraw/zinc/75/46/50/774754650.db2.gz JENLQCJZNPNNIC-LBPRGKRZSA-N 1 3 307.423 0.278 20 0 DCADHO O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1cncc2c1CCNC2 ZINC001220323196 774771765 /nfs/dbraw/zinc/77/17/65/774771765.db2.gz DBZGWUHXGISOOE-DYVFJYSZSA-N 1 3 316.405 0.368 20 0 DCADHO O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1cncc2c1CCNC2 ZINC001220323197 774772165 /nfs/dbraw/zinc/77/21/65/774772165.db2.gz DBZGWUHXGISOOE-GUYCJALGSA-N 1 3 316.405 0.368 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202517956 774836632 /nfs/dbraw/zinc/83/66/32/774836632.db2.gz FHXBKUMJGOXZPW-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](NC)[C@@H](C)OC(C)(C)C ZINC001220583635 774853786 /nfs/dbraw/zinc/85/37/86/774853786.db2.gz RYCMYISWIDFOFY-YPMHNXCESA-N 1 3 317.430 0.128 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654480 774876911 /nfs/dbraw/zinc/87/69/11/774876911.db2.gz UUUXEDILABSVRZ-LBPRGKRZSA-N 1 3 312.364 0.695 20 0 DCADHO CCOC(=O)C[C@@H](NC(=O)[C@@H](N)CCC[NH3+])c1cccc(O)c1 ZINC001220667493 774882420 /nfs/dbraw/zinc/88/24/20/774882420.db2.gz AGPWFCFBXCDKSB-UONOGXRCSA-N 1 3 323.393 0.569 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001114464887 774882649 /nfs/dbraw/zinc/88/26/49/774882649.db2.gz YSYXIWVQXTWAHN-BARDWOONSA-N 1 3 305.426 0.270 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001114464887 774882656 /nfs/dbraw/zinc/88/26/56/774882656.db2.gz YSYXIWVQXTWAHN-BARDWOONSA-N 1 3 305.426 0.270 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cc(-c2ccncc2)n[nH]1 ZINC001220694470 774893274 /nfs/dbraw/zinc/89/32/74/774893274.db2.gz LOMROYPCWLHUHY-ZDUSSCGKSA-N 1 3 302.382 0.544 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220709269 774896659 /nfs/dbraw/zinc/89/66/59/774896659.db2.gz VJMIWPLTBGOJAG-PWSUYJOCSA-N 1 3 310.785 0.386 20 0 DCADHO CC(=O)NCCCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220759206 774909845 /nfs/dbraw/zinc/90/98/45/774909845.db2.gz SABAZTXNHBEJIA-CQSZACIVSA-N 1 3 310.442 0.283 20 0 DCADHO CC(=O)NCCCCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220759206 774909848 /nfs/dbraw/zinc/90/98/48/774909848.db2.gz SABAZTXNHBEJIA-CQSZACIVSA-N 1 3 310.442 0.283 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771155 774910774 /nfs/dbraw/zinc/91/07/74/774910774.db2.gz GUEWZUDCEKWFBG-OVNWPICBSA-N 1 3 307.438 0.600 20 0 DCADHO O=C(NCCN1CCC(F)(F)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220807477 774920460 /nfs/dbraw/zinc/92/04/60/774920460.db2.gz GDHXPQAODDHUGL-LBPRGKRZSA-N 1 3 316.396 0.318 20 0 DCADHO O=C(NCCN1CCC(F)(F)C1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220807477 774920467 /nfs/dbraw/zinc/92/04/67/774920467.db2.gz GDHXPQAODDHUGL-LBPRGKRZSA-N 1 3 316.396 0.318 20 0 DCADHO CCOC(=O)C1=C(NC(=O)c2csc3c2CCNC3)C[NH2+]C1 ZINC001220836199 774930700 /nfs/dbraw/zinc/93/07/00/774930700.db2.gz AJKVVDPQEZSJBK-UHFFFAOYSA-N 1 3 321.402 0.544 20 0 DCADHO N[C@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC001220937621 774957529 /nfs/dbraw/zinc/95/75/29/774957529.db2.gz WIAPNNHNQPBWJO-HOTGVXAUSA-N 1 3 303.406 0.223 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972718 774965921 /nfs/dbraw/zinc/96/59/21/774965921.db2.gz JXTAVCWZLIEVMF-ZSEKCTLFSA-N 1 3 315.483 0.592 20 0 DCADHO COc1ncccc1[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221021670 774981727 /nfs/dbraw/zinc/98/17/27/774981727.db2.gz OCJJVUPIHYZQRT-ZIAGYGMSSA-N 1 3 316.405 0.467 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248424 775043411 /nfs/dbraw/zinc/04/34/11/775043411.db2.gz VUQVGBIBZGXYAD-HKMRUAMVSA-N 1 3 301.456 0.121 20 0 DCADHO O=C(N[C@@H]1CCCc2cnccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221292871 775057355 /nfs/dbraw/zinc/05/73/55/775057355.db2.gz VGQOJGINBSAJOA-FRFSOERESA-N 1 3 300.406 0.774 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001111498478 775069778 /nfs/dbraw/zinc/06/97/78/775069778.db2.gz YDJRQRCDGQYSMC-OAGGEKHMSA-N 1 3 309.454 0.966 20 0 DCADHO N[C@@H](C(=O)NC[C@@H](O)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC001221328513 775070215 /nfs/dbraw/zinc/07/02/15/775070215.db2.gz ADGQMKAEMQRGLY-CZUORRHYSA-N 1 3 317.389 0.909 20 0 DCADHO CC(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H](N)CSCC[NH3+])cc1 ZINC001221335616 775072969 /nfs/dbraw/zinc/07/29/69/775072969.db2.gz IHPVFVHAYIJVDK-YGRLFVJLSA-N 1 3 324.450 0.841 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@]34CC[C@@H]3C[NH2+]C4)CC2)NC1 ZINC001221390976 775083687 /nfs/dbraw/zinc/08/36/87/775083687.db2.gz JMERSHMAMGJNPO-CXAGYDPISA-N 1 3 302.422 0.554 20 0 DCADHO O=C(NCc1ccc(-c2c[nH]cn2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001221398074 775086892 /nfs/dbraw/zinc/08/68/92/775086892.db2.gz ZUHBGKZKHCFBGK-CQSZACIVSA-N 1 3 311.389 0.502 20 0 DCADHO FC(F)(F)c1cnc(CN2CCNC3(CC[NH2+]CC3)C2)[nH]1 ZINC001222090977 775265825 /nfs/dbraw/zinc/26/58/25/775265825.db2.gz LLZHBIRSTJZWFS-UHFFFAOYSA-N 1 3 303.332 0.956 20 0 DCADHO OCCOc1ccccc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222104599 775271845 /nfs/dbraw/zinc/27/18/45/775271845.db2.gz IRFUPUHTZBFXOL-UHFFFAOYSA-N 1 3 305.422 0.585 20 0 DCADHO Cn1nccc1CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981708 775376409 /nfs/dbraw/zinc/37/64/09/775376409.db2.gz YKDFIYJHHHVRLG-OAGGEKHMSA-N 1 3 319.453 0.636 20 0 DCADHO FC(F)(F)[C@H]1N(C[C@@H]2CNCCO2)CCC12CC[NH2+]CC2 ZINC001222644201 775405975 /nfs/dbraw/zinc/40/59/75/775405975.db2.gz ZQTJCJHHFRHZIA-RYUDHWBXSA-N 1 3 307.360 0.981 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001226891858 775892853 /nfs/dbraw/zinc/89/28/53/775892853.db2.gz VLUJFFRVPYLCKA-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001226891858 775892861 /nfs/dbraw/zinc/89/28/61/775892861.db2.gz VLUJFFRVPYLCKA-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COC)N(C)C ZINC001227056560 775918934 /nfs/dbraw/zinc/91/89/34/775918934.db2.gz GSKQNTHVBPWLTI-GBJTYRQASA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832663 776200593 /nfs/dbraw/zinc/20/05/93/776200593.db2.gz VZFGJMWGEIQQCI-AIANPOQGSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114832663 776200601 /nfs/dbraw/zinc/20/06/01/776200601.db2.gz VZFGJMWGEIQQCI-AIANPOQGSA-N 1 3 309.454 0.942 20 0 DCADHO CN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001317573281 945065692 /nfs/dbraw/zinc/06/56/92/945065692.db2.gz NVBPWAPFEKUWFE-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001278028347 945104388 /nfs/dbraw/zinc/10/43/88/945104388.db2.gz KWHFLOOKGUSIGP-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001278028347 945104392 /nfs/dbraw/zinc/10/43/92/945104392.db2.gz KWHFLOOKGUSIGP-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001317599288 945100951 /nfs/dbraw/zinc/10/09/51/945100951.db2.gz RLCSWQHTXNXSJS-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001317599288 945100957 /nfs/dbraw/zinc/10/09/57/945100957.db2.gz RLCSWQHTXNXSJS-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001278028347 945104379 /nfs/dbraw/zinc/10/43/79/945104379.db2.gz KWHFLOOKGUSIGP-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C[C@@H]4COC(C)(C)O4)CC3)[C@@H]2C1 ZINC001278067290 945124132 /nfs/dbraw/zinc/12/41/32/945124132.db2.gz SMYZOXFGDDGTON-MGPQQGTHSA-N 1 3 323.437 0.280 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C[C@@H]4COC(C)(C)O4)CC3)[C@@H]2C1 ZINC001278067290 945124134 /nfs/dbraw/zinc/12/41/34/945124134.db2.gz SMYZOXFGDDGTON-MGPQQGTHSA-N 1 3 323.437 0.280 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)ccn1 ZINC001317627594 945124655 /nfs/dbraw/zinc/12/46/55/945124655.db2.gz SVOMCTSYGJYOEQ-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)ccn1 ZINC001317627594 945124662 /nfs/dbraw/zinc/12/46/62/945124662.db2.gz SVOMCTSYGJYOEQ-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO CC(C)CN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001278119366 945143814 /nfs/dbraw/zinc/14/38/14/945143814.db2.gz ZZHYQJPBIHPRTQ-UONOGXRCSA-N 1 3 308.426 0.539 20 0 DCADHO CC[NH+]1CCC(CN2CC[C@H](C(N)=O)n3nccc3C2)CC1 ZINC001278134073 945150043 /nfs/dbraw/zinc/15/00/43/945150043.db2.gz LWRUKTSASDTAFA-OAHLLOKOSA-N 1 3 305.426 0.847 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3COC3)CC2)CC1 ZINC001278159300 945160648 /nfs/dbraw/zinc/16/06/48/945160648.db2.gz LWOGTUDOGNLLOV-UHFFFAOYSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001267018946 939314288 /nfs/dbraw/zinc/31/42/88/939314288.db2.gz TXGSXYKKLLPXLJ-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001267044190 939322592 /nfs/dbraw/zinc/32/25/92/939322592.db2.gz HFUHVNNPNYGNSI-CABCVRRESA-N 1 3 322.457 0.302 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)CN(C)C(C)C)n1 ZINC001267117737 939349914 /nfs/dbraw/zinc/34/99/14/939349914.db2.gz WGYNFTXTLDTJOZ-UHFFFAOYSA-N 1 3 310.446 0.283 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1cncn1C ZINC001267118020 939350165 /nfs/dbraw/zinc/35/01/65/939350165.db2.gz ZINIHKLNZFJYIN-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1cncn1C ZINC001267118020 939350169 /nfs/dbraw/zinc/35/01/69/939350169.db2.gz ZINIHKLNZFJYIN-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCNC(=O)C1(N(C)C)CCC1 ZINC001408596137 939422048 /nfs/dbraw/zinc/42/20/48/939422048.db2.gz UIAIPFBWJPWAOY-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCNC(=O)C1(N(C)C)CCC1 ZINC001408596137 939422049 /nfs/dbraw/zinc/42/20/49/939422049.db2.gz UIAIPFBWJPWAOY-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001419760012 939531471 /nfs/dbraw/zinc/53/14/71/939531471.db2.gz HJQKLYBIIXRAKK-STQMWFEESA-N 1 3 300.447 0.240 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2CN(C[C@@H]3CCCCO3)C2)C1 ZINC001481655075 940015802 /nfs/dbraw/zinc/01/58/02/940015802.db2.gz QKTMLPUTMVPZCZ-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(C[C@@H]3CCCCO3)C2)C1 ZINC001481655075 940015805 /nfs/dbraw/zinc/01/58/05/940015805.db2.gz QKTMLPUTMVPZCZ-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CCNCc1ccn(C)n1)[NH+](C)C ZINC001268398843 940104255 /nfs/dbraw/zinc/10/42/55/940104255.db2.gz PQNDVSNZVZKOCB-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCN(C)C1=O ZINC001481845205 940157725 /nfs/dbraw/zinc/15/77/25/940157725.db2.gz BLYJFMRRRPNTHM-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO O[C@@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COCc1ccccc1 ZINC001245973835 945304025 /nfs/dbraw/zinc/30/40/25/945304025.db2.gz KYWOPUBPLOTSQZ-HRCADAONSA-N 1 3 312.385 0.216 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+]1CCCCC1 ZINC001482055896 940236180 /nfs/dbraw/zinc/23/61/80/940236180.db2.gz MRLXERVYOWPQKK-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CN1CCC[C@@H](NC/C=C/CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001268588559 940271309 /nfs/dbraw/zinc/27/13/09/940271309.db2.gz SMKRGUGJSZISCX-NHZBNJEXSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC(N)=O ZINC001482171561 940291430 /nfs/dbraw/zinc/29/14/30/940291430.db2.gz GMQMQPSGJOGYDV-LBPRGKRZSA-N 1 3 306.410 0.189 20 0 DCADHO N[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[C@H]1F ZINC001246014082 945317420 /nfs/dbraw/zinc/31/74/20/945317420.db2.gz KYNNIYRGFPVJFI-ZOBORPQBSA-N 1 3 303.328 0.177 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001269186432 940642337 /nfs/dbraw/zinc/64/23/37/940642337.db2.gz HYIJZRBJCVAXDJ-QGZVFWFLSA-N 1 3 324.469 0.341 20 0 DCADHO COCCCCN1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001269236180 940657086 /nfs/dbraw/zinc/65/70/86/940657086.db2.gz XBXPJVQMNLXVOC-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO CCc1nccn1CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001270202187 940854619 /nfs/dbraw/zinc/85/46/19/940854619.db2.gz KPEHQRLEDXYNPG-GJZGRUSLSA-N 1 3 319.453 0.682 20 0 DCADHO CCc1nccn1CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001270202187 940854623 /nfs/dbraw/zinc/85/46/23/940854623.db2.gz KPEHQRLEDXYNPG-GJZGRUSLSA-N 1 3 319.453 0.682 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2COC3(C2)CC[NH2+]CC3)CN1 ZINC001246181743 945358417 /nfs/dbraw/zinc/35/84/17/945358417.db2.gz RQTSJTRPPRNWFO-DVOMOZLQSA-N 1 3 311.426 0.171 20 0 DCADHO CCOC(=O)[C@@](C)(O)CN1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001363784644 940931370 /nfs/dbraw/zinc/93/13/70/940931370.db2.gz KIQVEDPMOSNLRU-HOCLYGCPSA-N 1 3 316.442 0.733 20 0 DCADHO Cc1nnc(CN[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001482427588 941217256 /nfs/dbraw/zinc/21/72/56/941217256.db2.gz BXMRCLPEDAFUSD-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CCN(CC)CC(=O)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001409161835 941558066 /nfs/dbraw/zinc/55/80/66/941558066.db2.gz GKVZEUWLNSVHHQ-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001409161835 941558068 /nfs/dbraw/zinc/55/80/68/941558068.db2.gz GKVZEUWLNSVHHQ-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083601717 942088498 /nfs/dbraw/zinc/08/84/98/942088498.db2.gz KDKPDIHSLMRQOU-CABCVRRESA-N 1 3 307.438 0.576 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)c1ccn2cncc2c1 ZINC001083607181 942135137 /nfs/dbraw/zinc/13/51/37/942135137.db2.gz KNVDLBHKASMZPV-KGLIPLIRSA-N 1 3 306.341 0.469 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)c1ccn2cncc2c1 ZINC001083607181 942135142 /nfs/dbraw/zinc/13/51/42/942135142.db2.gz KNVDLBHKASMZPV-KGLIPLIRSA-N 1 3 306.341 0.469 20 0 DCADHO CCN1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633457 942287872 /nfs/dbraw/zinc/28/78/72/942287872.db2.gz YZSDWIYYAHIQQP-KGLIPLIRSA-N 1 3 301.350 0.062 20 0 DCADHO CC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633457 942287876 /nfs/dbraw/zinc/28/78/76/942287876.db2.gz YZSDWIYYAHIQQP-KGLIPLIRSA-N 1 3 301.350 0.062 20 0 DCADHO CC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001083633457 942287879 /nfs/dbraw/zinc/28/78/79/942287879.db2.gz YZSDWIYYAHIQQP-KGLIPLIRSA-N 1 3 301.350 0.062 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001483570191 942431290 /nfs/dbraw/zinc/43/12/90/942431290.db2.gz HVDCGCZPTQDARZ-KGLIPLIRSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001483570191 942431292 /nfs/dbraw/zinc/43/12/92/942431292.db2.gz HVDCGCZPTQDARZ-KGLIPLIRSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2cnn(C)c2)C2CC2)C1 ZINC001483587216 942443975 /nfs/dbraw/zinc/44/39/75/942443975.db2.gz BADHUNLXGJMOJC-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001413068097 942463087 /nfs/dbraw/zinc/46/30/87/942463087.db2.gz RORNZNNOXIICQP-STQMWFEESA-N 1 3 321.425 0.318 20 0 DCADHO C[NH+](C)CCN1CCC2(CCN(Cc3cn[nH]c3)CC2)C1=O ZINC001272551469 942821056 /nfs/dbraw/zinc/82/10/56/942821056.db2.gz YHZFGTIYPUAWHT-UHFFFAOYSA-N 1 3 305.426 0.786 20 0 DCADHO CN(CCO)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484557745 943452297 /nfs/dbraw/zinc/45/22/97/943452297.db2.gz WZWULTYJUYSVOW-MRXNPFEDSA-N 1 3 305.422 0.679 20 0 DCADHO CN(CCO)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001484557745 943452302 /nfs/dbraw/zinc/45/23/02/943452302.db2.gz WZWULTYJUYSVOW-MRXNPFEDSA-N 1 3 305.422 0.679 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001484679250 943509863 /nfs/dbraw/zinc/50/98/63/943509863.db2.gz ADPMOIITXATOFN-NTQVKLLNSA-N 1 3 303.834 0.896 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001484703938 943523002 /nfs/dbraw/zinc/52/30/02/943523002.db2.gz LIUJCLZLYHYKHD-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001413694725 943590000 /nfs/dbraw/zinc/59/00/00/943590000.db2.gz UWPGTIPWCCSZGH-WBMJQRKESA-N 1 3 313.417 0.788 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001413694725 943590004 /nfs/dbraw/zinc/59/00/04/943590004.db2.gz UWPGTIPWCCSZGH-WBMJQRKESA-N 1 3 313.417 0.788 20 0 DCADHO Cc1cnc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)cn1 ZINC001276386902 943604863 /nfs/dbraw/zinc/60/48/63/943604863.db2.gz RJLXPVWZRDERLR-UHFFFAOYSA-N 1 3 305.426 0.819 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(O)(CNCCF)CC1 ZINC001484955305 943637105 /nfs/dbraw/zinc/63/71/05/943637105.db2.gz YPEGZAHZELDOOM-AWEZNQCLSA-N 1 3 313.417 0.241 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001485038852 943666883 /nfs/dbraw/zinc/66/68/83/943666883.db2.gz KOCJDEBDMOLBEC-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001490950126 943686169 /nfs/dbraw/zinc/68/61/69/943686169.db2.gz ZUYHNHJZVKURHR-HDJSIYSDSA-N 1 3 322.457 0.685 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001490958431 943688381 /nfs/dbraw/zinc/68/83/81/943688381.db2.gz YSZZERFWBQLJRL-IHRRRGAJSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001490958432 943688505 /nfs/dbraw/zinc/68/85/05/943688505.db2.gz YSZZERFWBQLJRL-MGPQQGTHSA-N 1 3 310.442 0.184 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001485102911 943693034 /nfs/dbraw/zinc/69/30/34/943693034.db2.gz WVLRWESKYYMJIT-RUXDESIVSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001485093316 943694290 /nfs/dbraw/zinc/69/42/90/943694290.db2.gz FZFKJAGUWNPMOP-UHFFFAOYSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001491251703 943866689 /nfs/dbraw/zinc/86/66/89/943866689.db2.gz ZWEBLHJIXOUPFA-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001485707137 944085361 /nfs/dbraw/zinc/08/53/61/944085361.db2.gz TYVYSYCKBGPSBV-HDJSIYSDSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3cccc(N)c3)C[C@@H]21 ZINC001276861946 944332514 /nfs/dbraw/zinc/33/25/14/944332514.db2.gz VILJXZIWCFJCGO-IRXDYDNUSA-N 1 3 304.438 0.715 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C1CC1 ZINC001486085652 944545947 /nfs/dbraw/zinc/54/59/47/944545947.db2.gz SCSCOTJPYHHIGX-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001486088305 944548140 /nfs/dbraw/zinc/54/81/40/944548140.db2.gz GTKAMNYJRXLBQV-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001486135255 944590699 /nfs/dbraw/zinc/59/06/99/944590699.db2.gz OHKDFEDPDXXUEI-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@H]1CN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001277140382 944675598 /nfs/dbraw/zinc/67/55/98/944675598.db2.gz XGVIYOIHSBHDSP-NZBPQXDJSA-N 1 3 320.437 0.539 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001486233925 944685171 /nfs/dbraw/zinc/68/51/71/944685171.db2.gz FJGVEQHHOPAQKX-TZMCWYRMSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+]1CCC(NC(=O)C23CC(NCc4cn[nH]n4)(C2)C3)CC1 ZINC001277378733 944793651 /nfs/dbraw/zinc/79/36/51/944793651.db2.gz KCEKSLLBIFKOLL-UHFFFAOYSA-N 1 3 304.398 0.027 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CCOC)CC[N@@H+]1C ZINC001486338083 944798097 /nfs/dbraw/zinc/79/80/97/944798097.db2.gz RVCSKGJPARRSCK-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CCOC)CC[N@H+]1C ZINC001486338083 944798106 /nfs/dbraw/zinc/79/81/06/944798106.db2.gz RVCSKGJPARRSCK-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001317127234 944812517 /nfs/dbraw/zinc/81/25/17/944812517.db2.gz FYAPEENKFUHPCB-QLFBSQMISA-N 1 3 313.442 0.107 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001317301491 944910559 /nfs/dbraw/zinc/91/05/59/944910559.db2.gz PDSOPPGOFYWDLO-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3nncn3C)C[C@H]2CC1 ZINC001277623887 944912279 /nfs/dbraw/zinc/91/22/79/944912279.db2.gz ODVJAKHHESSOBT-GASCZTMLSA-N 1 3 306.458 0.521 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3nncn3C)C[C@H]2CC1 ZINC001277623887 944912288 /nfs/dbraw/zinc/91/22/88/944912288.db2.gz ODVJAKHHESSOBT-GASCZTMLSA-N 1 3 306.458 0.521 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001277636943 944919918 /nfs/dbraw/zinc/91/99/18/944919918.db2.gz OLVJWEXFZNGWHW-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001491559896 944929514 /nfs/dbraw/zinc/92/95/14/944929514.db2.gz NENCGSKUMSBXNZ-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N(C)C1CC1 ZINC001491559896 944929520 /nfs/dbraw/zinc/92/95/20/944929520.db2.gz NENCGSKUMSBXNZ-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CC(=O)NCCN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001277909256 945033765 /nfs/dbraw/zinc/03/37/65/945033765.db2.gz BCXSAFJSJHNQKC-UHFFFAOYSA-N 1 3 319.453 0.807 20 0 DCADHO CC(=O)NCCN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001277909256 945033772 /nfs/dbraw/zinc/03/37/72/945033772.db2.gz BCXSAFJSJHNQKC-UHFFFAOYSA-N 1 3 319.453 0.807 20 0 DCADHO CC(=O)NCCN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001277910851 945035010 /nfs/dbraw/zinc/03/50/10/945035010.db2.gz XTJOKKLGAFPKQA-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC(=O)NCCN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001277910851 945035021 /nfs/dbraw/zinc/03/50/21/945035021.db2.gz XTJOKKLGAFPKQA-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486946031 945423082 /nfs/dbraw/zinc/42/30/82/945423082.db2.gz LVXVGWLRGQIFRP-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCOC(=O)N1CC[C@H](N[C@@H](CCCC[NH3+])C(=O)NC)C1 ZINC001246512576 945424409 /nfs/dbraw/zinc/42/44/09/945424409.db2.gz OUTKKMKGUUZBKB-RYUDHWBXSA-N 1 3 300.403 0.050 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@@H](F)[C@@H](N)CC3)C[C@H](C1)N2 ZINC001246586867 945434976 /nfs/dbraw/zinc/43/49/76/945434976.db2.gz NZPHRHHVVWGPTK-APVKYZDHSA-N 1 3 313.417 0.820 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@@H](F)[C@@H](N)CC3)C[C@H](C1)N2 ZINC001246586867 945434981 /nfs/dbraw/zinc/43/49/81/945434981.db2.gz NZPHRHHVVWGPTK-APVKYZDHSA-N 1 3 313.417 0.820 20 0 DCADHO O=C1CC[C@@H]2C[C@@H](N3CC[NH2+]C[C@]4(CCCCN4)C3)CCN12 ZINC001246634815 945449491 /nfs/dbraw/zinc/44/94/91/945449491.db2.gz RLCRSJYWLMILTF-ZMSDIMECSA-N 1 3 306.454 0.557 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CN1 ZINC001246681970 945460757 /nfs/dbraw/zinc/46/07/57/945460757.db2.gz AMWMOTZKFQNJRE-XPLWTBFPSA-N 1 3 323.437 0.123 20 0 DCADHO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(C3CC[NH2+]CC3)C[C@@H]21 ZINC001246707399 945468578 /nfs/dbraw/zinc/46/85/78/945468578.db2.gz MWNPCACWJINGPH-BZUAXINKSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](C3CCNCC3)C[C@@H]21 ZINC001246707399 945468583 /nfs/dbraw/zinc/46/85/83/945468583.db2.gz MWNPCACWJINGPH-BZUAXINKSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](C3CCNCC3)C[C@@H]21 ZINC001246707399 945468586 /nfs/dbraw/zinc/46/85/86/945468586.db2.gz MWNPCACWJINGPH-BZUAXINKSA-N 1 3 307.438 0.744 20 0 DCADHO COCCC[N@H+](C1CCNCC1)[C@H]1CCN[C@H](C(=O)OC)C1 ZINC001246836635 945501676 /nfs/dbraw/zinc/50/16/76/945501676.db2.gz OGONHSPZUVVHBN-GJZGRUSLSA-N 1 3 313.442 0.371 20 0 DCADHO COCCC[N@@H+](C1CCNCC1)[C@H]1CCN[C@H](C(=O)OC)C1 ZINC001246836635 945501678 /nfs/dbraw/zinc/50/16/78/945501678.db2.gz OGONHSPZUVVHBN-GJZGRUSLSA-N 1 3 313.442 0.371 20 0 DCADHO C[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)C[NH2+]CC[C@H]1O ZINC001247754053 945571804 /nfs/dbraw/zinc/57/18/04/945571804.db2.gz PYMHLLUGYQQWQT-CJNGLKHVSA-N 1 3 315.377 0.389 20 0 DCADHO COc1nccc(C)c1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247850975 945580112 /nfs/dbraw/zinc/58/01/12/945580112.db2.gz LHYORNKOTWPMKC-UHFFFAOYSA-N 1 3 301.350 0.509 20 0 DCADHO COc1cccc([C@@H](O)C[NH2+]CCN2CCCN(C)CC2)c1 ZINC001250729449 945670610 /nfs/dbraw/zinc/67/06/10/945670610.db2.gz FVPSALYIGQMGEN-KRWDZBQOSA-N 1 3 307.438 0.956 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCn1cncn1 ZINC001320414692 945865877 /nfs/dbraw/zinc/86/58/77/945865877.db2.gz KFFNEUMGJYRTIT-CABCVRRESA-N 1 3 322.457 0.635 20 0 DCADHO CCN(CC[NH2+]CCCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001320694650 945983863 /nfs/dbraw/zinc/98/38/63/945983863.db2.gz STPPAHPEDOTISH-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001410229457 946067114 /nfs/dbraw/zinc/06/71/14/946067114.db2.gz JDNVEOUAYPLGGY-AAVRWANBSA-N 1 3 310.442 0.219 20 0 DCADHO Nc1ccncc1-c1cn(C[C@H]2CC3(CO2)CC[NH2+]CC3)nn1 ZINC001254062226 946228540 /nfs/dbraw/zinc/22/85/40/946228540.db2.gz DAUJZXFUIWFFAD-GFCCVEGCSA-N 1 3 314.393 0.911 20 0 DCADHO Nc1ccncc1-c1cn(C[C@@H]2CC3(CO2)CC[NH2+]CC3)nn1 ZINC001254062240 946229279 /nfs/dbraw/zinc/22/92/79/946229279.db2.gz DAUJZXFUIWFFAD-LBPRGKRZSA-N 1 3 314.393 0.911 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCN2CCCC2=O)C1 ZINC001321252755 946240895 /nfs/dbraw/zinc/24/08/95/946240895.db2.gz XIBTWRPYPYWOCB-FAAWYNLUSA-N 1 3 322.453 0.213 20 0 DCADHO CC(=O)N1CCC([N@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001254427700 946394467 /nfs/dbraw/zinc/39/44/67/946394467.db2.gz ALSMNRDYGOCJLZ-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC(=O)N1CCC([N@@H+]2CCC(=O)N(CCN(C)C)CC2)CC1 ZINC001254427700 946394480 /nfs/dbraw/zinc/39/44/80/946394480.db2.gz ALSMNRDYGOCJLZ-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCCN(C)C1=O ZINC001410499218 946489527 /nfs/dbraw/zinc/48/95/27/946489527.db2.gz QQIDYEWPVQTBAS-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001322050756 946562629 /nfs/dbraw/zinc/56/26/29/946562629.db2.gz RUQGGUBJSVVKPT-SWLSCSKDSA-N 1 3 324.473 0.575 20 0 DCADHO COC(=O)CC(CC(=O)OC)[NH2+]C1CCN(C(C)C)CC1 ZINC001257208115 946706951 /nfs/dbraw/zinc/70/69/51/946706951.db2.gz DNQOTVDISUMSBV-UHFFFAOYSA-N 1 3 300.399 0.944 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001410845162 947019987 /nfs/dbraw/zinc/01/99/87/947019987.db2.gz DPWJJPLYDYAIIY-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001410892602 947095332 /nfs/dbraw/zinc/09/53/32/947095332.db2.gz AUCZRUVZMSWMSJ-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001410892602 947095341 /nfs/dbraw/zinc/09/53/41/947095341.db2.gz AUCZRUVZMSWMSJ-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CCCCCC[NH3+])C2)nn1 ZINC001261493950 947321838 /nfs/dbraw/zinc/32/18/38/947321838.db2.gz YXVUQODVWJWQFE-CQSZACIVSA-N 1 3 308.430 0.810 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001411121415 947358301 /nfs/dbraw/zinc/35/83/01/947358301.db2.gz DDMWGRIGDHFWRX-XJKSGUPXSA-N 1 3 323.437 0.152 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001411209722 947484729 /nfs/dbraw/zinc/48/47/29/947484729.db2.gz PIQRLOFLBSFUGS-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C(C)(C)C ZINC001411220878 947506037 /nfs/dbraw/zinc/50/60/37/947506037.db2.gz VRRNKTCIVGMZOZ-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO [NH3+]C1CCN(CCNC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC001262592267 947736087 /nfs/dbraw/zinc/73/60/87/947736087.db2.gz MCSGRIFDQHJRSY-OAHLLOKOSA-N 1 3 307.442 0.065 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001179549692 947868337 /nfs/dbraw/zinc/86/83/37/947868337.db2.gz GJVFOWKHEQADCG-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001326285216 948120333 /nfs/dbraw/zinc/12/03/33/948120333.db2.gz CDJIETLPEXVRHK-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](N)C2CCC2)CC1 ZINC001327601023 948567404 /nfs/dbraw/zinc/56/74/04/948567404.db2.gz FZSLNIUTYQIQTL-OAHLLOKOSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC001327681524 948594765 /nfs/dbraw/zinc/59/47/65/948594765.db2.gz DAWBHQNMOJJZEY-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCF ZINC001263967781 948818472 /nfs/dbraw/zinc/81/84/72/948818472.db2.gz AVNDQKGTJKOLPR-UKRRQHHQSA-N 1 3 315.433 0.893 20 0 DCADHO CC[C@H](C(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001488595292 948972310 /nfs/dbraw/zinc/97/23/10/948972310.db2.gz NPLROYIMSATJDN-JXQTWKCFSA-N 1 3 312.458 0.384 20 0 DCADHO OC[C@]1(C[NH2+]C2CCN(C3CC3)CC2)COC[C@@H]2CCCN21 ZINC001364732161 949832690 /nfs/dbraw/zinc/83/26/90/949832690.db2.gz AVJPBXNTECUMQB-DLBZAZTESA-N 1 3 309.454 0.429 20 0 DCADHO OC[C@]1(CNC2CC[NH+](C3CC3)CC2)COC[C@@H]2CCCN21 ZINC001364732161 949832710 /nfs/dbraw/zinc/83/27/10/949832710.db2.gz AVJPBXNTECUMQB-DLBZAZTESA-N 1 3 309.454 0.429 20 0 DCADHO CCn1nncc1CNCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001364907362 950169274 /nfs/dbraw/zinc/16/92/74/950169274.db2.gz NINVPQGEXIYQQC-UHFFFAOYSA-N 1 3 322.457 0.184 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001490197190 950417404 /nfs/dbraw/zinc/41/74/04/950417404.db2.gz UQSSBYOBQBHDLG-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001490197190 950417419 /nfs/dbraw/zinc/41/74/19/950417419.db2.gz UQSSBYOBQBHDLG-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001330880185 950732059 /nfs/dbraw/zinc/73/20/59/950732059.db2.gz QJJOQZKANLZELC-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCCF)C1)N(C)C ZINC001280627064 950998850 /nfs/dbraw/zinc/99/88/50/950998850.db2.gz CCOMXLHPEFMYIU-UONOGXRCSA-N 1 3 303.422 0.749 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001331514410 951152238 /nfs/dbraw/zinc/15/22/38/951152238.db2.gz FWIXEUOROHDEMI-OAHLLOKOSA-N 1 3 318.421 0.362 20 0 DCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@@H+]3C3CC3)C2=O)CC1 ZINC001274016109 951328048 /nfs/dbraw/zinc/32/80/48/951328048.db2.gz LDEUZURXHIUBOZ-GOSISDBHSA-N 1 3 320.481 0.853 20 0 DCADHO CN1CCN(CCCN2CC[C@]3(CCC[N@H+]3C3CC3)C2=O)CC1 ZINC001274016109 951328059 /nfs/dbraw/zinc/32/80/59/951328059.db2.gz LDEUZURXHIUBOZ-GOSISDBHSA-N 1 3 320.481 0.853 20 0 DCADHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001274124822 951430438 /nfs/dbraw/zinc/43/04/38/951430438.db2.gz JTTGBHFODWLCQB-ICWYTKJFSA-N 1 3 324.469 0.505 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCCCC1 ZINC001332214601 951525401 /nfs/dbraw/zinc/52/54/01/951525401.db2.gz GZAZFMWRSRBWHV-JOCQHMNTSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001274340539 951571869 /nfs/dbraw/zinc/57/18/69/951571869.db2.gz UJLFOMIXBVZKHC-NHQLZKDQSA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001365824093 951587818 /nfs/dbraw/zinc/58/78/18/951587818.db2.gz BZXZGFZLNXQPOD-XGUBFFRZSA-N 1 3 324.469 0.288 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001365857109 951620427 /nfs/dbraw/zinc/62/04/27/951620427.db2.gz JVYKUHKZYJWGBP-CFVMTHIKSA-N 1 3 324.469 0.480 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCCF)CC1 ZINC001274502260 951667849 /nfs/dbraw/zinc/66/78/49/951667849.db2.gz SUTOTJQDJRVMAB-CYBMUJFWSA-N 1 3 301.406 0.383 20 0 DCADHO COCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001332505309 951670606 /nfs/dbraw/zinc/67/06/06/951670606.db2.gz WRBKPCVFMIUAEI-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333421567 952052641 /nfs/dbraw/zinc/05/26/41/952052641.db2.gz AXJHMXCNTSBGTP-MGPQQGTHSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CCO)cc2F)C1 ZINC001333478332 952076833 /nfs/dbraw/zinc/07/68/33/952076833.db2.gz AFBNYNFZYYETIM-ZDUSSCGKSA-N 1 3 323.412 0.866 20 0 DCADHO CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC001333696590 952135508 /nfs/dbraw/zinc/13/55/08/952135508.db2.gz DPFNLFPOIJINCU-CQSZACIVSA-N 1 3 300.447 0.785 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC001333945073 952205696 /nfs/dbraw/zinc/20/56/96/952205696.db2.gz VWMPSMJTQVRXNY-MGPQQGTHSA-N 1 3 310.442 0.077 20 0 DCADHO CN1CCN(C[C@@H](O)CNCC[N@H+](C)C2CCCCC2)CC1 ZINC001335351881 952524904 /nfs/dbraw/zinc/52/49/04/952524904.db2.gz QIGYZZFIHTUKTH-KRWDZBQOSA-N 1 3 312.502 0.449 20 0 DCADHO CN1CCN(C[C@@H](O)CNCC[N@@H+](C)C2CCCCC2)CC1 ZINC001335351881 952524908 /nfs/dbraw/zinc/52/49/08/952524908.db2.gz QIGYZZFIHTUKTH-KRWDZBQOSA-N 1 3 312.502 0.449 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCC(C)(C)C2)CCC1 ZINC001335744154 952592422 /nfs/dbraw/zinc/59/24/22/952592422.db2.gz FWULQBJBPODBAZ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001412224611 952707459 /nfs/dbraw/zinc/70/74/59/952707459.db2.gz FJQVZNHUJBJTTR-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001412224611 952707463 /nfs/dbraw/zinc/70/74/63/952707463.db2.gz FJQVZNHUJBJTTR-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)[C@H]1CCCN1C ZINC001416649048 952847533 /nfs/dbraw/zinc/84/75/33/952847533.db2.gz XBAUILHMOKTJRN-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C(=O)NCCN(C)CCOCCO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001339881127 953126699 /nfs/dbraw/zinc/12/66/99/953126699.db2.gz IWDLIXSDDGJSFI-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](C(=O)NCCN(C)CCOCCO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001339881127 953126702 /nfs/dbraw/zinc/12/67/02/953126702.db2.gz IWDLIXSDDGJSFI-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC001340844915 953198919 /nfs/dbraw/zinc/19/89/19/953198919.db2.gz ONSLBUVDBCIFLG-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CC=CC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001342328740 953283693 /nfs/dbraw/zinc/28/36/93/953283693.db2.gz JTTSSQJCMIGPFD-HUUCEWRRSA-N 1 3 324.469 0.409 20 0 DCADHO CC(C)[C@H](C(=O)NCCN1CC[NH+](CC2CC2)CC1)N(C)C ZINC001365962868 953477918 /nfs/dbraw/zinc/47/79/18/953477918.db2.gz GPYQXUXYIHWXIH-MRXNPFEDSA-N 1 3 310.486 0.716 20 0 DCADHO CC(C)NC(=O)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001366051119 953625095 /nfs/dbraw/zinc/62/50/95/953625095.db2.gz YWKOZSCEOQULAL-HNNXBMFYSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001366081366 953659859 /nfs/dbraw/zinc/65/98/59/953659859.db2.gz NFAYOSLMVOHHGM-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366098225 953682822 /nfs/dbraw/zinc/68/28/22/953682822.db2.gz MTALMOCWHFSANE-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001366101377 953686271 /nfs/dbraw/zinc/68/62/71/953686271.db2.gz HESONQGKXPPBIG-ZFWWWQNUSA-N 1 3 310.442 0.042 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001366147661 953743550 /nfs/dbraw/zinc/74/35/50/953743550.db2.gz RNBYTFBTVNFVKR-XGUBFFRZSA-N 1 3 313.442 0.103 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC1CCC1 ZINC001366346106 954065521 /nfs/dbraw/zinc/06/55/21/954065521.db2.gz OAJOLHZSVRXJRU-CYBMUJFWSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001366349432 954074603 /nfs/dbraw/zinc/07/46/03/954074603.db2.gz BXZYVCLSJMKAMZ-RYUDHWBXSA-N 1 3 300.447 0.336 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001366365444 954104290 /nfs/dbraw/zinc/10/42/90/954104290.db2.gz WNMKUVVERMRNOU-ZYHUDNBSSA-N 1 3 317.397 0.134 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001366371024 954111593 /nfs/dbraw/zinc/11/15/93/954111593.db2.gz ZOEUXLKQWZOQPX-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001366412460 954167834 /nfs/dbraw/zinc/16/78/34/954167834.db2.gz SYPYKXSJTAUZKZ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001366486555 954266386 /nfs/dbraw/zinc/26/63/86/954266386.db2.gz CKMZYKIZNGEYRH-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cnn(C)c1)N(C)C ZINC001366514080 954306718 /nfs/dbraw/zinc/30/67/18/954306718.db2.gz WXIICZQKSKQDTO-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001366559707 954420430 /nfs/dbraw/zinc/42/04/30/954420430.db2.gz QRBGKXPQDWESLD-UHFFFAOYSA-N 1 3 323.441 0.700 20 0 DCADHO CN(CC(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCC1 ZINC001349070167 954590693 /nfs/dbraw/zinc/59/06/93/954590693.db2.gz SWBVAAUQIKBWRF-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)CN1CCC[C@H]1C)[NH+](C)C ZINC001349195661 954642540 /nfs/dbraw/zinc/64/25/40/954642540.db2.gz JBDCBKBSGNSSPW-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001349243298 954670971 /nfs/dbraw/zinc/67/09/71/954670971.db2.gz JTLMOCXIJVCPAZ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001349243298 954670976 /nfs/dbraw/zinc/67/09/76/954670976.db2.gz JTLMOCXIJVCPAZ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1)N(C)C ZINC001366702234 954678041 /nfs/dbraw/zinc/67/80/41/954678041.db2.gz CCJGTWLRWGJRGN-GOEBONIOSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1)N(C)C ZINC001366702234 954678048 /nfs/dbraw/zinc/67/80/48/954678048.db2.gz CCJGTWLRWGJRGN-GOEBONIOSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001366701705 954678301 /nfs/dbraw/zinc/67/83/01/954678301.db2.gz UYKMTWQKUGKIMI-HUUCEWRRSA-N 1 3 320.441 0.058 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001366701705 954678310 /nfs/dbraw/zinc/67/83/10/954678310.db2.gz UYKMTWQKUGKIMI-HUUCEWRRSA-N 1 3 320.441 0.058 20 0 DCADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCN1C)CCN1CCCC1=O ZINC001366710492 954695836 /nfs/dbraw/zinc/69/58/36/954695836.db2.gz YRJYEQBUDMDDMM-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)CCN1CCCC1=O ZINC001366710492 954695840 /nfs/dbraw/zinc/69/58/40/954695840.db2.gz YRJYEQBUDMDDMM-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284028877 954793323 /nfs/dbraw/zinc/79/33/23/954793323.db2.gz BZBWYLPAKDGQJX-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C(C)C)C1=O)N(C)C ZINC001366771511 954815699 /nfs/dbraw/zinc/81/56/99/954815699.db2.gz DZJATRNIQQZMTF-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCNC(=O)[C@@H]2CCCN2C)C1 ZINC001349821398 954897648 /nfs/dbraw/zinc/89/76/48/954897648.db2.gz POAGZFSCPPAMTR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCNC(=O)[C@@H]2CCCN2C)C1 ZINC001349821398 954897660 /nfs/dbraw/zinc/89/76/60/954897660.db2.gz POAGZFSCPPAMTR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001430115633 1013130274 /nfs/dbraw/zinc/13/02/74/1013130274.db2.gz JDQLLBBUKCYNLJ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001430115633 1013130287 /nfs/dbraw/zinc/13/02/87/1013130287.db2.gz JDQLLBBUKCYNLJ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001367225526 955482977 /nfs/dbraw/zinc/48/29/77/955482977.db2.gz GFLIHMKMTQOYQA-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001367229493 955489289 /nfs/dbraw/zinc/48/92/89/955489289.db2.gz YNENONGWKCJZOC-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccnn1C)N(C)C ZINC001367255507 955539181 /nfs/dbraw/zinc/53/91/81/955539181.db2.gz XIUQQMKYQWVXBG-ZFWWWQNUSA-N 1 3 309.458 0.848 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367272031 955567071 /nfs/dbraw/zinc/56/70/71/955567071.db2.gz MPBIGUBXXJRBCW-CYBMUJFWSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CC(N)=O ZINC001367273480 955570546 /nfs/dbraw/zinc/57/05/46/955570546.db2.gz RXZYVPIFPAIUJV-NHYWBVRUSA-N 1 3 316.421 0.026 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCn2cncn2)CCCC1)N(C)C ZINC001367325972 955649376 /nfs/dbraw/zinc/64/93/76/955649376.db2.gz YYBJZABGWCTKBJ-AWEZNQCLSA-N 1 3 322.457 0.637 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)N(C)C ZINC001446960265 1013140445 /nfs/dbraw/zinc/14/04/45/1013140445.db2.gz VSCCYRXCCNMCGC-XJFOESAGSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)N(C)C ZINC001446960265 1013140460 /nfs/dbraw/zinc/14/04/60/1013140460.db2.gz VSCCYRXCCNMCGC-XJFOESAGSA-N 1 3 310.442 0.171 20 0 DCADHO [NH3+]CCNCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001353482433 956077429 /nfs/dbraw/zinc/07/74/29/956077429.db2.gz LKTNLSJUVPCYQU-INIZCTEOSA-N 1 3 304.438 0.878 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001292998594 957228106 /nfs/dbraw/zinc/22/81/06/957228106.db2.gz KFIIMBSGFWYSBF-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001292998594 957228109 /nfs/dbraw/zinc/22/81/09/957228109.db2.gz KFIIMBSGFWYSBF-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1CCCCN1C ZINC001367642279 958253825 /nfs/dbraw/zinc/25/38/25/958253825.db2.gz HJXDFXYKKJUPCC-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CC[NH+](C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001361742346 958276640 /nfs/dbraw/zinc/27/66/40/958276640.db2.gz DYNJYIPIADQRJL-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367677370 958337918 /nfs/dbraw/zinc/33/79/18/958337918.db2.gz QVKREPAGADUTCC-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367695340 958392231 /nfs/dbraw/zinc/39/22/31/958392231.db2.gz VCANWGOELRNMGK-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)(C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)N1CCCCC1 ZINC001367893272 958794179 /nfs/dbraw/zinc/79/41/79/958794179.db2.gz DKEXGCVMQUQYJJ-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)(C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)N1CCCCC1 ZINC001367893274 958796525 /nfs/dbraw/zinc/79/65/25/958796525.db2.gz DKEXGCVMQUQYJJ-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001376775167 958803192 /nfs/dbraw/zinc/80/31/92/958803192.db2.gz VVRURRMLCAYSMN-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001491604666 959025148 /nfs/dbraw/zinc/02/51/48/959025148.db2.gz ZWDJGENRLNNSBJ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001491604666 959025169 /nfs/dbraw/zinc/02/51/69/959025169.db2.gz ZWDJGENRLNNSBJ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001491682285 959045524 /nfs/dbraw/zinc/04/55/24/959045524.db2.gz JXOZOFJUACWRJT-LBPRGKRZSA-N 1 3 308.430 0.583 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001376883633 959056928 /nfs/dbraw/zinc/05/69/28/959056928.db2.gz RMDJBDCEGHUELJ-ZDUSSCGKSA-N 1 3 300.447 0.288 20 0 DCADHO COCC[N@H+](C[C@@H](C)O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001368050723 959155002 /nfs/dbraw/zinc/15/50/02/959155002.db2.gz IEKLIGPORSMXHI-CYBMUJFWSA-N 1 3 324.425 0.272 20 0 DCADHO COCC[N@@H+](C[C@@H](C)O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001368050723 959155010 /nfs/dbraw/zinc/15/50/10/959155010.db2.gz IEKLIGPORSMXHI-CYBMUJFWSA-N 1 3 324.425 0.272 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001376948186 959188747 /nfs/dbraw/zinc/18/87/47/959188747.db2.gz GYZSARJHPNCXSN-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001376948186 959188757 /nfs/dbraw/zinc/18/87/57/959188757.db2.gz GYZSARJHPNCXSN-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001368096891 959228769 /nfs/dbraw/zinc/22/87/69/959228769.db2.gz DWKMECBRYLGJTF-STQMWFEESA-N 1 3 308.426 0.069 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001368126308 959291732 /nfs/dbraw/zinc/29/17/32/959291732.db2.gz XVWFGKZVNYFBLI-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001491849799 959303673 /nfs/dbraw/zinc/30/36/73/959303673.db2.gz MKUZOZCNQGZVGH-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC001377031216 959350036 /nfs/dbraw/zinc/35/00/36/959350036.db2.gz TYHVONLLBOHJTK-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001368191533 959430743 /nfs/dbraw/zinc/43/07/43/959430743.db2.gz SSRQILGBPISAHH-WMLDXEAASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001368196283 959433038 /nfs/dbraw/zinc/43/30/38/959433038.db2.gz NZGLDABRRPWSAW-GOEBONIOSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001368196281 959434037 /nfs/dbraw/zinc/43/40/37/959434037.db2.gz NZGLDABRRPWSAW-GDBMZVCRSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001368201961 959438691 /nfs/dbraw/zinc/43/86/91/959438691.db2.gz ZOAVQSAGRCOMOC-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO COc1nccc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001492128616 959610311 /nfs/dbraw/zinc/61/03/11/959610311.db2.gz YQKWLWUSMGRDIG-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001492128616 959610318 /nfs/dbraw/zinc/61/03/18/959610318.db2.gz YQKWLWUSMGRDIG-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO Cc1noc(CCC[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)n1 ZINC001377170517 959619559 /nfs/dbraw/zinc/61/95/59/959619559.db2.gz JJZQCAFPZQULOI-UHFFFAOYSA-N 1 3 323.441 0.843 20 0 DCADHO Cc1noc(CCC[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)n1 ZINC001377170517 959619566 /nfs/dbraw/zinc/61/95/66/959619566.db2.gz JJZQCAFPZQULOI-UHFFFAOYSA-N 1 3 323.441 0.843 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001362634098 959735180 /nfs/dbraw/zinc/73/51/80/959735180.db2.gz OQUMXOQUCTXXKX-IAGOWNOFSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001368481121 959923937 /nfs/dbraw/zinc/92/39/37/959923937.db2.gz XQTQEHFMRMCVTB-XQQFMLRXSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001368517479 959969392 /nfs/dbraw/zinc/96/93/92/959969392.db2.gz FCUVMRJYBDQEJM-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001368517479 959969401 /nfs/dbraw/zinc/96/94/01/959969401.db2.gz FCUVMRJYBDQEJM-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001368517224 959969992 /nfs/dbraw/zinc/96/99/92/959969992.db2.gz SPEMXRXDVVBYOG-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001368518414 959971083 /nfs/dbraw/zinc/97/10/83/959971083.db2.gz FCUVMRJYBDQEJM-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001368518414 959971095 /nfs/dbraw/zinc/97/10/95/959971095.db2.gz FCUVMRJYBDQEJM-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1CCN1CCCC1=O ZINC001377393109 960021025 /nfs/dbraw/zinc/02/10/25/960021025.db2.gz NMYJRXOCYYNHSP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCn2cncn2)CC1 ZINC001368658488 960129539 /nfs/dbraw/zinc/12/95/39/960129539.db2.gz WKQPMOFWEWRSGA-CQSZACIVSA-N 1 3 320.441 0.343 20 0 DCADHO CCCN(C)CC(=O)NC1(CO)CC[NH+]([C@@H](C)COC)CC1 ZINC001368771342 960251684 /nfs/dbraw/zinc/25/16/84/960251684.db2.gz JZNARHWIMONENO-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001377573943 960300413 /nfs/dbraw/zinc/30/04/13/960300413.db2.gz CVOBCDJEEVBULZ-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001377573943 960300422 /nfs/dbraw/zinc/30/04/22/960300422.db2.gz CVOBCDJEEVBULZ-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO COC[C@H](O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377602105 960346317 /nfs/dbraw/zinc/34/63/17/960346317.db2.gz BKBGMZNCHOBRMB-IUODEOHRSA-N 1 3 324.425 0.176 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H](CC)C(N)=O ZINC001377606004 960347925 /nfs/dbraw/zinc/34/79/25/960347925.db2.gz DVRQXHUDVXCMCT-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316824991 960357569 /nfs/dbraw/zinc/35/75/69/960357569.db2.gz ZJNCPKOBMWCOBS-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001377719917 960498346 /nfs/dbraw/zinc/49/83/46/960498346.db2.gz RNPGTOPLLKQRAJ-NFOMZHRRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NCc1ccnn1C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001377882980 960901893 /nfs/dbraw/zinc/90/18/93/960901893.db2.gz MNJDTMUHQRPPFO-STQMWFEESA-N 1 3 305.426 0.499 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC2CN(CCCO)C2)C1 ZINC001377994309 961138635 /nfs/dbraw/zinc/13/86/35/961138635.db2.gz FGZJSJHKJHCHJU-INIZCTEOSA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC2CN(CCCO)C2)C1 ZINC001377994309 961138649 /nfs/dbraw/zinc/13/86/49/961138649.db2.gz FGZJSJHKJHCHJU-INIZCTEOSA-N 1 3 315.433 0.629 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CCC3CC[NH2+]CC3)C2)nn1 ZINC001549046926 1013245440 /nfs/dbraw/zinc/24/54/40/1013245440.db2.gz DGBKAJOGJDTFDH-OAHLLOKOSA-N 1 3 320.441 0.680 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001378737704 961370299 /nfs/dbraw/zinc/37/02/99/961370299.db2.gz VWKQJZYCRJCMTI-JONQDZQNSA-N 1 3 319.453 0.517 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)N(C)C ZINC001378737704 961370306 /nfs/dbraw/zinc/37/03/06/961370306.db2.gz VWKQJZYCRJCMTI-JONQDZQNSA-N 1 3 319.453 0.517 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001378752062 961401893 /nfs/dbraw/zinc/40/18/93/961401893.db2.gz OUILGZCVPHVUPA-TUVASFSCSA-N 1 3 324.469 0.097 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001378752062 961401907 /nfs/dbraw/zinc/40/19/07/961401907.db2.gz OUILGZCVPHVUPA-TUVASFSCSA-N 1 3 324.469 0.097 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001378815473 961533188 /nfs/dbraw/zinc/53/31/88/961533188.db2.gz KEAOXRBXZWSNJG-OLZOCXBDSA-N 1 3 320.437 0.672 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001378848421 961598107 /nfs/dbraw/zinc/59/81/07/961598107.db2.gz WIPQWNKQDVUBPH-XDQVBPFNSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1nccn1C ZINC001378918793 961704345 /nfs/dbraw/zinc/70/43/45/961704345.db2.gz SGHCBKXPCNQLLD-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001379088341 962066098 /nfs/dbraw/zinc/06/60/98/962066098.db2.gz YABCVWAZRTYXLX-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NC)C1 ZINC001379145978 962196589 /nfs/dbraw/zinc/19/65/89/962196589.db2.gz DLAVPXNUBJIPBK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NC)C1 ZINC001379145978 962196603 /nfs/dbraw/zinc/19/66/03/962196603.db2.gz DLAVPXNUBJIPBK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)C1(N(C)C)CCC1 ZINC001379301689 962579145 /nfs/dbraw/zinc/57/91/45/962579145.db2.gz FRMAWRQPPFEJJT-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001379413537 962866885 /nfs/dbraw/zinc/86/68/85/962866885.db2.gz HZWZZIZMUQJOLZ-GFCCVEGCSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001380266427 962956377 /nfs/dbraw/zinc/95/63/77/962956377.db2.gz JMDMLAOCOBAIJJ-AAEUAGOBSA-N 1 3 319.409 0.200 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001380285001 962988961 /nfs/dbraw/zinc/98/89/61/962988961.db2.gz MHCVYTJWDRVNAR-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001380288318 962998343 /nfs/dbraw/zinc/99/83/43/962998343.db2.gz SBKRQXAERMIQAW-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)NCC1CC1 ZINC001380292645 963003164 /nfs/dbraw/zinc/00/31/64/963003164.db2.gz UUZQAMZYOOVMLO-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001380321268 963036486 /nfs/dbraw/zinc/03/64/86/963036486.db2.gz FQMSTTFXSWDMDA-OCCSQVGLSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001379517565 963111629 /nfs/dbraw/zinc/11/16/29/963111629.db2.gz UJKKTVOFKYBGNZ-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001379517134 963111919 /nfs/dbraw/zinc/11/19/19/963111919.db2.gz QPLLWJXCXMVDTB-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001379543146 963163101 /nfs/dbraw/zinc/16/31/01/963163101.db2.gz UJMGXTIDXPIRJD-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001379561386 963181934 /nfs/dbraw/zinc/18/19/34/963181934.db2.gz AOQLCDVZSSXNGA-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001379561386 963181942 /nfs/dbraw/zinc/18/19/42/963181942.db2.gz AOQLCDVZSSXNGA-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001380429618 963192222 /nfs/dbraw/zinc/19/22/22/963192222.db2.gz ZOAVQSAGRCOMOC-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001379590306 963227613 /nfs/dbraw/zinc/22/76/13/963227613.db2.gz ULHAXCFXMQAGCH-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001430386203 1013420537 /nfs/dbraw/zinc/42/05/37/1013420537.db2.gz MMTNXZLDOCVDLX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001430386203 1013420544 /nfs/dbraw/zinc/42/05/44/1013420544.db2.gz MMTNXZLDOCVDLX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001380838197 963622427 /nfs/dbraw/zinc/62/24/27/963622427.db2.gz KWFWUQIWKORALT-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]CC(=O)N(C)C)CCC2)C1 ZINC001380882316 963655473 /nfs/dbraw/zinc/65/54/73/963655473.db2.gz RAYXNPNVVSJYJM-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001381111284 963823031 /nfs/dbraw/zinc/82/30/31/963823031.db2.gz OJWIFNPLJUHCNV-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC001381141335 963841256 /nfs/dbraw/zinc/84/12/56/963841256.db2.gz DLHIYRUHLMTCMS-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO CN(CC(=O)N1CCC(O)(C[NH2+]CC2CC2)CC1)C1CCC1 ZINC001381152853 963848882 /nfs/dbraw/zinc/84/88/82/963848882.db2.gz DKPDVSCSJUTQGK-UHFFFAOYSA-N 1 3 309.454 0.824 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001381330331 963976019 /nfs/dbraw/zinc/97/60/19/963976019.db2.gz DBBCEZHAZSYVCO-PESDSKBTSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(=O)NC2CC2)C2CC2)C1 ZINC001375257212 964179648 /nfs/dbraw/zinc/17/96/48/964179648.db2.gz XXNNJEZJSZHIIR-SWLSCSKDSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001375548941 964537718 /nfs/dbraw/zinc/53/77/18/964537718.db2.gz LAXXKTGOJYGUQV-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001375587747 964579875 /nfs/dbraw/zinc/57/98/75/964579875.db2.gz AJRFULZMBRWZCD-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NCC1CC1 ZINC001369252279 964601984 /nfs/dbraw/zinc/60/19/84/964601984.db2.gz SLEMHRXNEZPVEY-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCNC1=O ZINC001369256054 964609408 /nfs/dbraw/zinc/60/94/08/964609408.db2.gz ADXFXUVJOREICU-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001369277500 964639385 /nfs/dbraw/zinc/63/93/85/964639385.db2.gz PRGVVVVZXCEGTP-XHDPSFHLSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001369277500 964639390 /nfs/dbraw/zinc/63/93/90/964639390.db2.gz PRGVVVVZXCEGTP-XHDPSFHLSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)NCC1CC1 ZINC001369277486 964642342 /nfs/dbraw/zinc/64/23/42/964642342.db2.gz NWSYFLZQCDFPIX-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001369288068 964659326 /nfs/dbraw/zinc/65/93/26/964659326.db2.gz PCVWGLNWQUADIA-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001369288068 964659333 /nfs/dbraw/zinc/65/93/33/964659333.db2.gz PCVWGLNWQUADIA-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001369292263 964667099 /nfs/dbraw/zinc/66/70/99/964667099.db2.gz LBESFZSAYAXBDB-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC[N@@H+]1C ZINC001375792371 964839616 /nfs/dbraw/zinc/83/96/16/964839616.db2.gz IOYWLVPJHZRUIR-AEGPPILISA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC[N@H+]1C ZINC001375792371 964839631 /nfs/dbraw/zinc/83/96/31/964839631.db2.gz IOYWLVPJHZRUIR-AEGPPILISA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001369395181 964889112 /nfs/dbraw/zinc/88/91/12/964889112.db2.gz RQUXWYZKVXNTED-ZIAGYGMSSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCC(C)CC1 ZINC001369397061 964894036 /nfs/dbraw/zinc/89/40/36/964894036.db2.gz VGCADKIUVHMKEH-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001374275879 965212457 /nfs/dbraw/zinc/21/24/57/965212457.db2.gz KPDAEWMCIUFDFM-VXGBXAGGSA-N 1 3 322.457 0.952 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374355392 965308353 /nfs/dbraw/zinc/30/83/53/965308353.db2.gz VKQMHBZUTRILKM-AWEZNQCLSA-N 1 3 324.469 0.468 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001374377447 965323236 /nfs/dbraw/zinc/32/32/36/965323236.db2.gz LGQPUEFTTHYCEM-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCc1cnnn1C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369753590 965357410 /nfs/dbraw/zinc/35/74/10/965357410.db2.gz RWLOHIHBXASVPR-DZGCQCFKSA-N 1 3 322.457 0.626 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001376217676 965396754 /nfs/dbraw/zinc/39/67/54/965396754.db2.gz BNWZJVRGEJGVAI-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001376217676 965396764 /nfs/dbraw/zinc/39/67/64/965396764.db2.gz BNWZJVRGEJGVAI-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369834203 965468238 /nfs/dbraw/zinc/46/82/38/965468238.db2.gz AOUHTVBAHKDYDQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369834203 965468255 /nfs/dbraw/zinc/46/82/55/965468255.db2.gz AOUHTVBAHKDYDQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376279771 965474369 /nfs/dbraw/zinc/47/43/69/965474369.db2.gz FMAIYTPMDHKXEZ-DZGCQCFKSA-N 1 3 324.425 0.130 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376279771 965474378 /nfs/dbraw/zinc/47/43/78/965474378.db2.gz FMAIYTPMDHKXEZ-DZGCQCFKSA-N 1 3 324.425 0.130 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)C1)[NH+](C)C ZINC001376328839 965526499 /nfs/dbraw/zinc/52/64/99/965526499.db2.gz IDLULAMHKBUWCI-VHDGCEQUSA-N 1 3 324.469 0.430 20 0 DCADHO Cn1cc(CNC[C@H]2CCC[C@H]2NC(=O)CCC[NH+](C)C)nn1 ZINC001374569994 965549637 /nfs/dbraw/zinc/54/96/37/965549637.db2.gz GQPJYNLODHWDDI-UKRRQHHQSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1CNCc1nccn1C ZINC001376357384 965563565 /nfs/dbraw/zinc/56/35/65/965563565.db2.gz AQZVPBQSQZJGOQ-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001376392244 965605184 /nfs/dbraw/zinc/60/51/84/965605184.db2.gz WAVTWYJNPIZMJV-UMVBOHGHSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001376397719 965612090 /nfs/dbraw/zinc/61/20/90/965612090.db2.gz FLIQORSDWKUVRY-BZUAXINKSA-N 1 3 321.469 0.786 20 0 DCADHO C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001374705347 965786816 /nfs/dbraw/zinc/78/68/16/965786816.db2.gz PRODPKSYBFDWLG-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001376546826 965814763 /nfs/dbraw/zinc/81/47/63/965814763.db2.gz LYVSYKMSAJBGHV-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001376567772 965839064 /nfs/dbraw/zinc/83/90/64/965839064.db2.gz IXQRYQFQMUEGKD-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2cncn2C)C2CC2)CCC1 ZINC001370165296 965847343 /nfs/dbraw/zinc/84/73/43/965847343.db2.gz FKQQJQSXKTVRCW-HNNXBMFYSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001376607439 965886132 /nfs/dbraw/zinc/88/61/32/965886132.db2.gz VTFLCXXUEBPIPT-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001370265143 965935854 /nfs/dbraw/zinc/93/58/54/965935854.db2.gz MEYRZARTNFJJFG-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)N2CCC2)C1 ZINC001374801565 965946652 /nfs/dbraw/zinc/94/66/52/965946652.db2.gz JDZCJEJJEDTSFC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)N2CCC2)C1 ZINC001374801565 965946660 /nfs/dbraw/zinc/94/66/60/965946660.db2.gz JDZCJEJJEDTSFC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NC1CCC([NH2+]CCn2cncn2)CC1)N(C)C ZINC001376665108 965953902 /nfs/dbraw/zinc/95/39/02/965953902.db2.gz VFNXERLEHFTSCH-YMAMQOFZSA-N 1 3 322.457 0.635 20 0 DCADHO C[C@H](CNCC(=O)N1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374843231 966016605 /nfs/dbraw/zinc/01/66/05/966016605.db2.gz STQVLIWFSPBSCB-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)N1CCC(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374843231 966016610 /nfs/dbraw/zinc/01/66/10/966016610.db2.gz STQVLIWFSPBSCB-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)N(C)C ZINC001376740343 966099469 /nfs/dbraw/zinc/09/94/69/966099469.db2.gz AEEBQQXTAREHLO-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(=O)N(C)C ZINC001376740343 966099483 /nfs/dbraw/zinc/09/94/83/966099483.db2.gz AEEBQQXTAREHLO-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CN(C)CC(C)(C)C ZINC001374932925 966154592 /nfs/dbraw/zinc/15/45/92/966154592.db2.gz CZJJLXMSVDVWNW-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](F)CNC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001374953863 966172903 /nfs/dbraw/zinc/17/29/03/966172903.db2.gz PMEINPDCBMPKOJ-STQMWFEESA-N 1 3 303.422 0.940 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001374963312 966179181 /nfs/dbraw/zinc/17/91/81/966179181.db2.gz DDPRPINPDPYSKG-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001370525726 966215541 /nfs/dbraw/zinc/21/55/41/966215541.db2.gz ZUXVNICHXANLSW-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001370545051 966230391 /nfs/dbraw/zinc/23/03/91/966230391.db2.gz DRUWCUKQNXKZQM-SHTZXODSSA-N 1 3 307.442 0.807 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001370550445 966234407 /nfs/dbraw/zinc/23/44/07/966234407.db2.gz XHVYTRHUPUROJY-SHTZXODSSA-N 1 3 307.442 0.541 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001370641087 966317997 /nfs/dbraw/zinc/31/79/97/966317997.db2.gz UTCHAMBOPBPLMO-GUTXKFCHSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001447913134 1013644257 /nfs/dbraw/zinc/64/42/57/1013644257.db2.gz XVLPGQGTMYHGLN-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001381388973 966370172 /nfs/dbraw/zinc/37/01/72/966370172.db2.gz KYWNRKNMLFFRBE-STQMWFEESA-N 1 3 307.442 0.887 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001430679372 1013665463 /nfs/dbraw/zinc/66/54/63/1013665463.db2.gz PGINIYCHWLNVLH-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)NC)CCCCC1)N(C)C ZINC001381727690 966653326 /nfs/dbraw/zinc/65/33/26/966653326.db2.gz MLWKZIKMIOSLHZ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC001371179602 966786445 /nfs/dbraw/zinc/78/64/45/966786445.db2.gz PMPLCFYJDBMEGA-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001371179602 966786449 /nfs/dbraw/zinc/78/64/49/966786449.db2.gz PMPLCFYJDBMEGA-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001382062109 966903555 /nfs/dbraw/zinc/90/35/55/966903555.db2.gz ANGUBTVVTFUZOV-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382062109 966903560 /nfs/dbraw/zinc/90/35/60/966903560.db2.gz ANGUBTVVTFUZOV-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001382091933 966930736 /nfs/dbraw/zinc/93/07/36/966930736.db2.gz NXBSACZRUSWZHH-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001371371487 966941077 /nfs/dbraw/zinc/94/10/77/966941077.db2.gz UCDBULXTWXCMIG-GFCCVEGCSA-N 1 3 309.414 0.257 20 0 DCADHO COc1cc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001371469963 967019730 /nfs/dbraw/zinc/01/97/30/967019730.db2.gz IZSPIBKCWMMLHH-JSGCOSHPSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001371469963 967019735 /nfs/dbraw/zinc/01/97/35/967019735.db2.gz IZSPIBKCWMMLHH-JSGCOSHPSA-N 1 3 306.410 0.636 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001371574432 967134037 /nfs/dbraw/zinc/13/40/37/967134037.db2.gz OPFFYTKWTWOTFO-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001371607597 967165992 /nfs/dbraw/zinc/16/59/92/967165992.db2.gz BPPVIKJEHBLRPP-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001371609075 967167727 /nfs/dbraw/zinc/16/77/27/967167727.db2.gz AXMYZZJPTPDUJE-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001382292067 967173299 /nfs/dbraw/zinc/17/32/99/967173299.db2.gz WNTCFAOLUJZIQD-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H](C)C(N)=O ZINC001371765779 967321488 /nfs/dbraw/zinc/32/14/88/967321488.db2.gz WNIFGIDORYCPMW-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001372066823 967618797 /nfs/dbraw/zinc/61/87/97/967618797.db2.gz HZBDGTFSMJTPRE-KGLIPLIRSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)CCCN2CCCC2=O)C1 ZINC001372100470 967646741 /nfs/dbraw/zinc/64/67/41/967646741.db2.gz FSMFIIRFUHJUOZ-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)CCCN2CCCC2=O)C1 ZINC001372100470 967646748 /nfs/dbraw/zinc/64/67/48/967646748.db2.gz FSMFIIRFUHJUOZ-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001372197980 967736855 /nfs/dbraw/zinc/73/68/55/967736855.db2.gz DUEDEADQYYGLGD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001372509506 968062141 /nfs/dbraw/zinc/06/21/41/968062141.db2.gz XEZXIQSYSFHAGQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001372509506 968062151 /nfs/dbraw/zinc/06/21/51/968062151.db2.gz XEZXIQSYSFHAGQ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1CCn1cncn1 ZINC001372542689 968103691 /nfs/dbraw/zinc/10/36/91/968103691.db2.gz RQVCPYRDXJEFHW-AWEZNQCLSA-N 1 3 308.430 0.201 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001372625737 968190677 /nfs/dbraw/zinc/19/06/77/968190677.db2.gz LURRALNLURPBOE-KKUMJFAQSA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001372625737 968190684 /nfs/dbraw/zinc/19/06/84/968190684.db2.gz LURRALNLURPBOE-KKUMJFAQSA-N 1 3 315.458 0.018 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001373161846 968772869 /nfs/dbraw/zinc/77/28/69/968772869.db2.gz UDOXJCFGMBUVKM-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001373161846 968772875 /nfs/dbraw/zinc/77/28/75/968772875.db2.gz UDOXJCFGMBUVKM-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)NC(=O)CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001373221733 968823989 /nfs/dbraw/zinc/82/39/89/968823989.db2.gz FAJUCQULOKEFPO-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C1(C(=O)N(C)CCN2CC[NH+](CC3CC3)CC2)CCC1 ZINC001373257609 968863524 /nfs/dbraw/zinc/86/35/24/968863524.db2.gz CFAATWSRGVNAGJ-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001373464100 969126335 /nfs/dbraw/zinc/12/63/35/969126335.db2.gz KXLFPGJUNOUYNQ-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001448454672 1013917180 /nfs/dbraw/zinc/91/71/80/1013917180.db2.gz WHPPWFJIMINRQM-FPCVCCKLSA-N 1 3 309.454 0.657 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001448454672 1013917184 /nfs/dbraw/zinc/91/71/84/1013917184.db2.gz WHPPWFJIMINRQM-FPCVCCKLSA-N 1 3 309.454 0.657 20 0 DCADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CCO)C2)CC(C)(C)C ZINC001448471366 1013923120 /nfs/dbraw/zinc/92/31/20/1013923120.db2.gz BNKFNQHREOFQMK-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2)CC(C)(C)C ZINC001448471366 1013923122 /nfs/dbraw/zinc/92/31/22/1013923122.db2.gz BNKFNQHREOFQMK-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N(C)C)CC2)CC[N@@H+]1C ZINC001448529353 1013943568 /nfs/dbraw/zinc/94/35/68/1013943568.db2.gz QIOUFHVFKXHHBO-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001448529353 1013943571 /nfs/dbraw/zinc/94/35/71/1013943571.db2.gz QIOUFHVFKXHHBO-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CCN1CC[C@H](NC[C@H](C2CC2)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001448596128 1013961680 /nfs/dbraw/zinc/96/16/80/1013961680.db2.gz QNEZBBYQGIEENA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001448777912 1014034899 /nfs/dbraw/zinc/03/48/99/1014034899.db2.gz FDDTYGLXWQLPBV-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001448777912 1014034903 /nfs/dbraw/zinc/03/49/03/1014034903.db2.gz FDDTYGLXWQLPBV-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)[C@@H]1C ZINC001448984629 1014118412 /nfs/dbraw/zinc/11/84/12/1014118412.db2.gz UEIVCXQUXVSIDJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)[C@@H]1C ZINC001448984629 1014118415 /nfs/dbraw/zinc/11/84/15/1014118415.db2.gz UEIVCXQUXVSIDJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1ccc(CNC[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001449061229 1014162520 /nfs/dbraw/zinc/16/25/20/1014162520.db2.gz QLXAZDIHKMBIGP-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[C@@H]1F ZINC001549209310 1014170906 /nfs/dbraw/zinc/17/09/06/1014170906.db2.gz MHHILTCOMONFPE-RRFJBIMHSA-N 1 3 306.385 0.954 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CC[C@H](C)C1 ZINC001449394590 1014457367 /nfs/dbraw/zinc/45/73/67/1014457367.db2.gz WPTVOKCLMQXPBT-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CC[C@H](C)C1 ZINC001449394590 1014457373 /nfs/dbraw/zinc/45/73/73/1014457373.db2.gz WPTVOKCLMQXPBT-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001522952979 1014486491 /nfs/dbraw/zinc/48/64/91/1014486491.db2.gz KYMGGTZVDRDLGX-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001522952979 1014486495 /nfs/dbraw/zinc/48/64/95/1014486495.db2.gz KYMGGTZVDRDLGX-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO NC1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC2(CCC2)C1 ZINC001550086722 1014557082 /nfs/dbraw/zinc/55/70/82/1014557082.db2.gz BVKQCJUVVLPYNH-GFCCVEGCSA-N 1 3 304.398 0.090 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC001550121839 1014586906 /nfs/dbraw/zinc/58/69/06/1014586906.db2.gz ADAJSGBRHHUJRA-HZSPNIEDSA-N 1 3 318.425 0.511 20 0 DCADHO [NH3+][C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)CC12CC2 ZINC001550290257 1014655232 /nfs/dbraw/zinc/65/52/32/1014655232.db2.gz KCRPCRWYPNFIFG-CABCVRRESA-N 1 3 300.406 0.834 20 0 DCADHO Cn1cc(N2CCC[C@@H](N3C[C@H]4CC[N@H+](C)C[C@@H]4C3)C2=O)cn1 ZINC001550540464 1014756127 /nfs/dbraw/zinc/75/61/27/1014756127.db2.gz FASZWCTZSLRIRY-IIAWOOMASA-N 1 3 317.437 0.799 20 0 DCADHO Cn1cc(N2CCC[C@@H](N3C[C@H]4CC[N@@H+](C)C[C@@H]4C3)C2=O)cn1 ZINC001550540464 1014756134 /nfs/dbraw/zinc/75/61/34/1014756134.db2.gz FASZWCTZSLRIRY-IIAWOOMASA-N 1 3 317.437 0.799 20 0 DCADHO CN(C)C1(C(=O)NC2CN(C(=O)C3CC[NH+](C)CC3)C2)CCC1 ZINC001530495759 1014775125 /nfs/dbraw/zinc/77/51/25/1014775125.db2.gz CIWVAJWPFQESFD-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCN1 ZINC001550754977 1014840138 /nfs/dbraw/zinc/84/01/38/1014840138.db2.gz FUVGFINVRLRYOS-ZDUSSCGKSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001550763308 1014853424 /nfs/dbraw/zinc/85/34/24/1014853424.db2.gz LDVFDXQSBJXTSP-IKGGRYGDSA-N 1 3 314.433 0.952 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001450350235 1015076936 /nfs/dbraw/zinc/07/69/36/1015076936.db2.gz XGIWRNQAHAOOBE-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001450350235 1015076948 /nfs/dbraw/zinc/07/69/48/1015076948.db2.gz XGIWRNQAHAOOBE-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001384147523 985395728 /nfs/dbraw/zinc/39/57/28/985395728.db2.gz NZKHERBDBVGBNT-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])CCO1 ZINC001551524879 1015125791 /nfs/dbraw/zinc/12/57/91/1015125791.db2.gz RNABFSVAKLGXSL-BMFZPTHFSA-N 1 3 318.421 0.583 20 0 DCADHO CC(C)[C@H](CNC(=O)NC1CC2(C[C@H]2[NH3+])C1)N1CCN(C)CC1 ZINC001551599152 1015155551 /nfs/dbraw/zinc/15/55/51/1015155551.db2.gz MYUZLIFNHUHAPU-KRIMKBQASA-N 1 3 323.485 0.437 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001385604310 986464129 /nfs/dbraw/zinc/46/41/29/986464129.db2.gz HUQZZQUNEBQXMO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001385604310 986464130 /nfs/dbraw/zinc/46/41/30/986464130.db2.gz HUQZZQUNEBQXMO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001385899155 986666503 /nfs/dbraw/zinc/66/65/03/986666503.db2.gz PVFCZPFALFLROU-LBPRGKRZSA-N 1 3 307.398 0.011 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001385899155 986666505 /nfs/dbraw/zinc/66/65/05/986666505.db2.gz PVFCZPFALFLROU-LBPRGKRZSA-N 1 3 307.398 0.011 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001386104746 986833533 /nfs/dbraw/zinc/83/35/33/986833533.db2.gz PKNMADKLDISOMH-HALDLXJZSA-N 1 3 324.469 0.241 20 0 DCADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)C1 ZINC001552105573 1015269801 /nfs/dbraw/zinc/26/98/01/1015269801.db2.gz FKCBGUVPEASGMR-BYNSBNAKSA-N 1 3 310.442 0.368 20 0 DCADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)C1 ZINC001552105573 1015269806 /nfs/dbraw/zinc/26/98/06/1015269806.db2.gz FKCBGUVPEASGMR-BYNSBNAKSA-N 1 3 310.442 0.368 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001386315427 987067172 /nfs/dbraw/zinc/06/71/72/987067172.db2.gz QTCDUYKZURXQTN-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001386315427 987067176 /nfs/dbraw/zinc/06/71/76/987067176.db2.gz QTCDUYKZURXQTN-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200143 1015319501 /nfs/dbraw/zinc/31/95/01/1015319501.db2.gz MVPTYTXWCSKNKO-NVXWUHKLSA-N 1 3 303.406 0.600 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001532236282 1015319607 /nfs/dbraw/zinc/31/96/07/1015319607.db2.gz KNKKMVXQBDFGTL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001532236282 1015319614 /nfs/dbraw/zinc/31/96/14/1015319614.db2.gz KNKKMVXQBDFGTL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)[C@H]2CCCN2C)CC[N@@H+]1C ZINC001387056392 987601838 /nfs/dbraw/zinc/60/18/38/987601838.db2.gz IVJIIQRNYVVQJM-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)[C@H]2CCCN2C)CC[N@H+]1C ZINC001387056392 987601840 /nfs/dbraw/zinc/60/18/40/987601840.db2.gz IVJIIQRNYVVQJM-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552217761 1015336367 /nfs/dbraw/zinc/33/63/67/1015336367.db2.gz IRNDIVLGCSKHOA-IKGGRYGDSA-N 1 3 321.465 0.992 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001389340150 989135950 /nfs/dbraw/zinc/13/59/50/989135950.db2.gz AKKACLMIQVNNCF-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001389340150 989135954 /nfs/dbraw/zinc/13/59/54/989135954.db2.gz AKKACLMIQVNNCF-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)n[nH]1 ZINC001389646755 989460194 /nfs/dbraw/zinc/46/01/94/989460194.db2.gz ICJIRMGPRWRZMA-ZDUSSCGKSA-N 1 3 320.441 0.439 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](NCc1ccnn1C)C1CC1)[NH+](C)C ZINC001389654190 989466803 /nfs/dbraw/zinc/46/68/03/989466803.db2.gz VGZKOFKYPCXGLZ-JKSUJKDBSA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001450964368 1015488579 /nfs/dbraw/zinc/48/85/79/1015488579.db2.gz DDUJWEVWGUICOB-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001450964368 1015488584 /nfs/dbraw/zinc/48/85/84/1015488584.db2.gz DDUJWEVWGUICOB-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)C[C@H]1n1ccnn1 ZINC001552679714 1015489103 /nfs/dbraw/zinc/48/91/03/1015489103.db2.gz JHGUNALDRRVKDO-RBSFLKMASA-N 1 3 312.377 0.223 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001389815644 989605905 /nfs/dbraw/zinc/60/59/05/989605905.db2.gz GAGVKFXFWNKKRP-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC1(C)CNCCN1C(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552683711 1015490861 /nfs/dbraw/zinc/49/08/61/1015490861.db2.gz LBUXNGNGCXQTSS-YPMHNXCESA-N 1 3 306.414 0.545 20 0 DCADHO CN(C(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1)C1CCN(C)CC1 ZINC001552694932 1015495501 /nfs/dbraw/zinc/49/55/01/1015495501.db2.gz ZUSFZGSYEMYWDB-ZFWWWQNUSA-N 1 3 320.441 0.887 20 0 DCADHO CN(C(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1)C1CCN(C)CC1 ZINC001552694930 1015495807 /nfs/dbraw/zinc/49/58/07/1015495807.db2.gz ZUSFZGSYEMYWDB-UKRRQHHQSA-N 1 3 320.441 0.887 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001389972750 989721363 /nfs/dbraw/zinc/72/13/63/989721363.db2.gz CHFWPAZXBDSBIW-APIJFGDWSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001390080806 989802708 /nfs/dbraw/zinc/80/27/08/989802708.db2.gz PKMVRECICXBVAT-UHFFFAOYSA-N 1 3 310.442 0.092 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001390719070 990324658 /nfs/dbraw/zinc/32/46/58/990324658.db2.gz MIJKDZVFTPWBNB-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC001390719070 990324660 /nfs/dbraw/zinc/32/46/60/990324660.db2.gz MIJKDZVFTPWBNB-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C[C@@H](C)O)C1)[NH+]1CCCCC1 ZINC001391521845 990912603 /nfs/dbraw/zinc/91/26/03/990912603.db2.gz FTLKKZUPLZRRRM-GDBMZVCRSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001391750919 991158084 /nfs/dbraw/zinc/15/80/84/991158084.db2.gz GMYUSOPKLSTVOP-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]1CCCC[C@]1(CNCC(N)=O)NC(=O)CCC[NH+](C)C ZINC001391804154 991194128 /nfs/dbraw/zinc/19/41/28/991194128.db2.gz FWRATKXXGDJDLQ-CZUORRHYSA-N 1 3 312.458 0.468 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001391861266 991232368 /nfs/dbraw/zinc/23/23/68/991232368.db2.gz FYMPXEDGMSNECL-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001391886882 991263620 /nfs/dbraw/zinc/26/36/20/991263620.db2.gz KQTWFDMYDKLCIG-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001392024246 991406434 /nfs/dbraw/zinc/40/64/34/991406434.db2.gz RFCZQGYTFGGUDX-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001392024246 991406438 /nfs/dbraw/zinc/40/64/38/991406438.db2.gz RFCZQGYTFGGUDX-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C)n[nH]1 ZINC001392125497 991519851 /nfs/dbraw/zinc/51/98/51/991519851.db2.gz UPGLCAMQRUSCGY-VXGBXAGGSA-N 1 3 310.446 0.952 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553220213 1015645217 /nfs/dbraw/zinc/64/52/17/1015645217.db2.gz IKPSABPICZYACT-BZUAXINKSA-N 1 3 324.469 0.711 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553220213 1015645223 /nfs/dbraw/zinc/64/52/23/1015645223.db2.gz IKPSABPICZYACT-BZUAXINKSA-N 1 3 324.469 0.711 20 0 DCADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1)CC(C)(C)C ZINC001392348149 991786608 /nfs/dbraw/zinc/78/66/08/991786608.db2.gz OUSQGTGXAWCXBC-GJZGRUSLSA-N 1 3 311.470 0.879 20 0 DCADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1)CC(C)(C)C ZINC001392348149 991786614 /nfs/dbraw/zinc/78/66/14/991786614.db2.gz OUSQGTGXAWCXBC-GJZGRUSLSA-N 1 3 311.470 0.879 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001392463172 991959154 /nfs/dbraw/zinc/95/91/54/991959154.db2.gz ZHBRVLFPKMARGL-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392481706 991988736 /nfs/dbraw/zinc/98/87/36/991988736.db2.gz CXFBCVLWRLWNOD-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001392524748 992045913 /nfs/dbraw/zinc/04/59/13/992045913.db2.gz MDEVDHABSPBDMW-IUODEOHRSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392726727 992326460 /nfs/dbraw/zinc/32/64/60/992326460.db2.gz SMAONCPEPRHQBG-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392726727 992326472 /nfs/dbraw/zinc/32/64/72/992326472.db2.gz SMAONCPEPRHQBG-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001392789591 992398849 /nfs/dbraw/zinc/39/88/49/992398849.db2.gz RJHRAIHCVHJLNM-MRXNPFEDSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C[C@H]1C ZINC001393035072 992640484 /nfs/dbraw/zinc/64/04/84/992640484.db2.gz XNZBJMXVCYHPHC-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CC[C@@H](NC[C@H]2CCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001393058935 992658356 /nfs/dbraw/zinc/65/83/56/992658356.db2.gz UOJMIEDZZQCEHJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001393097770 992680022 /nfs/dbraw/zinc/68/00/22/992680022.db2.gz WOXYLPQPOMKKRA-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001393097770 992680025 /nfs/dbraw/zinc/68/00/25/992680025.db2.gz WOXYLPQPOMKKRA-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCn2cncn2)C1 ZINC001393400112 992946759 /nfs/dbraw/zinc/94/67/59/992946759.db2.gz VUSGTRJKWXRNDS-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001393579989 993100940 /nfs/dbraw/zinc/10/09/40/993100940.db2.gz AYEYPMNCBKOSSH-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@@H](C)C1 ZINC001393788941 993254160 /nfs/dbraw/zinc/25/41/60/993254160.db2.gz QMUBVGWJACEPNB-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H](C)C1 ZINC001393788941 993254165 /nfs/dbraw/zinc/25/41/65/993254165.db2.gz QMUBVGWJACEPNB-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001393807863 993269485 /nfs/dbraw/zinc/26/94/85/993269485.db2.gz JNOPZLYUDOHSHM-BFHYXJOUSA-N 1 3 322.457 0.590 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001393814829 993272119 /nfs/dbraw/zinc/27/21/19/993272119.db2.gz HSBWLICWIVMDMD-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1CNCC(N)=O)[NH+](CC)CC ZINC001393859275 993301526 /nfs/dbraw/zinc/30/15/26/993301526.db2.gz HHCNJVSXITXZMT-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](NCC1CC(NC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001393901625 993331398 /nfs/dbraw/zinc/33/13/98/993331398.db2.gz PVHMUPNAAXIDFP-IYXRBSQSSA-N 1 3 305.426 0.974 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC(N)=O)CCCCC1 ZINC001394198263 993536515 /nfs/dbraw/zinc/53/65/15/993536515.db2.gz TYTWVNCYALAERR-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H](NCc1cnn(C)c1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001394324952 993621801 /nfs/dbraw/zinc/62/18/01/993621801.db2.gz CMLVYJMBQQVYAH-HIFRSBDPSA-N 1 3 323.441 0.077 20 0 DCADHO C[C@H]([NH2+]CCF)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001394333859 993629694 /nfs/dbraw/zinc/62/96/94/993629694.db2.gz PWLCHLNDMRUONZ-QWHCGFSZSA-N 1 3 301.406 0.646 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001394388922 993673952 /nfs/dbraw/zinc/67/39/52/993673952.db2.gz IGESTWAQQZASHY-AAVRWANBSA-N 1 3 312.458 0.321 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001394442200 993710166 /nfs/dbraw/zinc/71/01/66/993710166.db2.gz XQJOTWAGOGAGOT-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001394446254 993711990 /nfs/dbraw/zinc/71/19/90/993711990.db2.gz DBKIZDMUKBXLDX-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394446254 993712000 /nfs/dbraw/zinc/71/20/00/993712000.db2.gz DBKIZDMUKBXLDX-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CCC[NH+]1CCCC1 ZINC001394667026 993993977 /nfs/dbraw/zinc/99/39/77/993993977.db2.gz HHHDWYRFHFJUFI-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001400182705 994248333 /nfs/dbraw/zinc/24/83/33/994248333.db2.gz HDMGVWXCDRXFIS-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001400182705 994248345 /nfs/dbraw/zinc/24/83/45/994248345.db2.gz HDMGVWXCDRXFIS-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001395110963 994439992 /nfs/dbraw/zinc/43/99/92/994439992.db2.gz PZQKWLQWMMLCJU-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)CCC[NH+](C)C)N(C)C ZINC001400483935 994571022 /nfs/dbraw/zinc/57/10/22/994571022.db2.gz QJYCEAKUVVMSSW-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001395580374 994776093 /nfs/dbraw/zinc/77/60/93/994776093.db2.gz AZPXCVHXURXEQB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001395580374 994776105 /nfs/dbraw/zinc/77/61/05/994776105.db2.gz AZPXCVHXURXEQB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001395587913 994781375 /nfs/dbraw/zinc/78/13/75/994781375.db2.gz ZMSJUQYPGAMWDM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001395587913 994781389 /nfs/dbraw/zinc/78/13/89/994781389.db2.gz ZMSJUQYPGAMWDM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001395596956 994789776 /nfs/dbraw/zinc/78/97/76/994789776.db2.gz SJVXGNJTBZZWRF-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001395596956 994789785 /nfs/dbraw/zinc/78/97/85/994789785.db2.gz SJVXGNJTBZZWRF-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001510611283 1015890412 /nfs/dbraw/zinc/89/04/12/1015890412.db2.gz HPJGMYCJMMKURD-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001400713624 994831773 /nfs/dbraw/zinc/83/17/73/994831773.db2.gz VIYTZRHLHJIYBE-OAHLLOKOSA-N 1 3 307.442 0.447 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001400749251 994876977 /nfs/dbraw/zinc/87/69/77/994876977.db2.gz FXRONFKNWFNKSV-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO NC(=O)CNCC1(NC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001400969605 995092608 /nfs/dbraw/zinc/09/26/08/995092608.db2.gz KAARDQRWEPBWNR-UHFFFAOYSA-N 1 3 310.442 0.366 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C ZINC001401087343 995164392 /nfs/dbraw/zinc/16/43/92/995164392.db2.gz XKXKVRFTIXSEKV-CFVMTHIKSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001397123456 995808890 /nfs/dbraw/zinc/80/88/90/995808890.db2.gz RNJBIFVLOCSJHP-MRVWCRGKSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@](CO)([NH2+]CCCF)C2)CCC1 ZINC001502573738 1015979508 /nfs/dbraw/zinc/97/95/08/1015979508.db2.gz UIRLCWKQIDULLF-HNNXBMFYSA-N 1 3 315.433 0.773 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001397185386 995848444 /nfs/dbraw/zinc/84/84/44/995848444.db2.gz IAGGDVKCMIPAOX-HZMVEIRTSA-N 1 3 323.481 0.878 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001397185386 995848445 /nfs/dbraw/zinc/84/84/45/995848445.db2.gz IAGGDVKCMIPAOX-HZMVEIRTSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001397217480 995870239 /nfs/dbraw/zinc/87/02/39/995870239.db2.gz NIYRIFJNRPLKBV-ZNMIVQPWSA-N 1 3 320.437 0.894 20 0 DCADHO C[C@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001397217480 995870242 /nfs/dbraw/zinc/87/02/42/995870242.db2.gz NIYRIFJNRPLKBV-ZNMIVQPWSA-N 1 3 320.437 0.894 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001398524972 996552964 /nfs/dbraw/zinc/55/29/64/996552964.db2.gz OYJPRKKKYXXPIU-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001398578551 996584404 /nfs/dbraw/zinc/58/44/04/996584404.db2.gz QEONLEDVQTWXFR-IHRRRGAJSA-N 1 3 312.458 0.478 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1)N(C)C ZINC001398608823 996602315 /nfs/dbraw/zinc/60/23/15/996602315.db2.gz DWOZEPOKXRZKDV-REBRKWNGSA-N 1 3 324.469 0.478 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001398619172 996606932 /nfs/dbraw/zinc/60/69/32/996606932.db2.gz YTUNMEGCZUTRHA-RQJABVFESA-N 1 3 310.442 0.088 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC3CC3)C2)C1 ZINC001398632208 996613317 /nfs/dbraw/zinc/61/33/17/996613317.db2.gz YPZCLBAVZVQQRC-AEGPPILISA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)N(C)C)C1 ZINC001398767117 996678483 /nfs/dbraw/zinc/67/84/83/996678483.db2.gz YDQPNFQBGIDBDI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)CN(CC)CC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001398979425 996791402 /nfs/dbraw/zinc/79/14/02/996791402.db2.gz VRTUIJLQIARXAU-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)CN(CC)CC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001398979425 996791408 /nfs/dbraw/zinc/79/14/08/996791408.db2.gz VRTUIJLQIARXAU-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001399100673 996959279 /nfs/dbraw/zinc/95/92/79/996959279.db2.gz NYLBWFOPILEJOY-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001399100673 996959290 /nfs/dbraw/zinc/95/92/90/996959290.db2.gz NYLBWFOPILEJOY-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001404312037 996960195 /nfs/dbraw/zinc/96/01/95/996960195.db2.gz CZBUXJJSLGJPRY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001404312037 996960212 /nfs/dbraw/zinc/96/02/12/996960212.db2.gz CZBUXJJSLGJPRY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO COc1coc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001399099023 996960612 /nfs/dbraw/zinc/96/06/12/996960612.db2.gz DOUSKCIYQBPMCG-VXGBXAGGSA-N 1 3 323.393 0.194 20 0 DCADHO COc1coc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1=O ZINC001399099023 996960626 /nfs/dbraw/zinc/96/06/26/996960626.db2.gz DOUSKCIYQBPMCG-VXGBXAGGSA-N 1 3 323.393 0.194 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001404328115 996984907 /nfs/dbraw/zinc/98/49/07/996984907.db2.gz UTUINJGJEWPVFT-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H]([NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001404364493 997038470 /nfs/dbraw/zinc/03/84/70/997038470.db2.gz BAACZLGAGKUNKQ-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001399213779 997087683 /nfs/dbraw/zinc/08/76/83/997087683.db2.gz DPYKEAMNOZDYGZ-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001404510705 997185732 /nfs/dbraw/zinc/18/57/32/997185732.db2.gz FRJTWBWBLCALFW-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001404510705 997185741 /nfs/dbraw/zinc/18/57/41/997185741.db2.gz FRJTWBWBLCALFW-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399378600 997287790 /nfs/dbraw/zinc/28/77/90/997287790.db2.gz UUKWIYLICADPKN-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399378600 997287798 /nfs/dbraw/zinc/28/77/98/997287798.db2.gz UUKWIYLICADPKN-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001399388437 997298538 /nfs/dbraw/zinc/29/85/38/997298538.db2.gz HQIDZWZOXCHDQT-ZIAGYGMSSA-N 1 3 308.430 0.104 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001399388429 997299194 /nfs/dbraw/zinc/29/91/94/997299194.db2.gz HQIDZWZOXCHDQT-UONOGXRCSA-N 1 3 308.430 0.104 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC(O)(CNCCF)CC1 ZINC001502893934 1016120023 /nfs/dbraw/zinc/12/00/23/1016120023.db2.gz AANKOLQEEWTQEL-UHFFFAOYSA-N 1 3 303.422 0.631 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC(O)(CNCCF)CC1 ZINC001502893934 1016120030 /nfs/dbraw/zinc/12/00/30/1016120030.db2.gz AANKOLQEEWTQEL-UHFFFAOYSA-N 1 3 303.422 0.631 20 0 DCADHO CCc1ccccc1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001507258775 1016190599 /nfs/dbraw/zinc/19/05/99/1016190599.db2.gz BLERWOPGBCWHFY-DLBZAZTESA-N 1 3 319.449 0.767 20 0 DCADHO CCc1ccccc1CN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507258775 1016190606 /nfs/dbraw/zinc/19/06/06/1016190606.db2.gz BLERWOPGBCWHFY-DLBZAZTESA-N 1 3 319.449 0.767 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001405677262 998464257 /nfs/dbraw/zinc/46/42/57/998464257.db2.gz NOLVXWHTOLNTPS-ZFWWWQNUSA-N 1 3 322.457 0.530 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001507311427 1016243060 /nfs/dbraw/zinc/24/30/60/1016243060.db2.gz AHSPKNXUAXZXHJ-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001511293464 1016248623 /nfs/dbraw/zinc/24/86/23/1016248623.db2.gz WRNRMWADNIXPJV-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001507338151 1016266871 /nfs/dbraw/zinc/26/68/71/1016266871.db2.gz HZPMOVTXNHDJSE-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001507338153 1016265991 /nfs/dbraw/zinc/26/59/91/1016265991.db2.gz HZPMOVTXNHDJSE-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C(C)(C)C1 ZINC001507450944 1016336235 /nfs/dbraw/zinc/33/62/35/1016336235.db2.gz YAVLZRWPSQMIJZ-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C)C(C)(C)C1 ZINC001507450944 1016336243 /nfs/dbraw/zinc/33/62/43/1016336243.db2.gz YAVLZRWPSQMIJZ-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](F)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507485079 1016395965 /nfs/dbraw/zinc/39/59/65/1016395965.db2.gz PWLITVUNXKYTEZ-QWHCGFSZSA-N 1 3 303.422 0.628 20 0 DCADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)CCc1cnn(C)c1 ZINC001418479287 1000266411 /nfs/dbraw/zinc/26/64/11/1000266411.db2.gz VJKATTPTTOELEH-UHFFFAOYSA-N 1 3 319.453 0.639 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001418650474 1000420673 /nfs/dbraw/zinc/42/06/73/1000420673.db2.gz KHGFTGPFQODGOL-TUVASFSCSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC001418684164 1000448293 /nfs/dbraw/zinc/44/82/93/1000448293.db2.gz KXZGQFMAJZNFLX-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC001418684164 1000448296 /nfs/dbraw/zinc/44/82/96/1000448296.db2.gz KXZGQFMAJZNFLX-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2ccccn2)CC[N@@H+]1C ZINC001401514266 1000466673 /nfs/dbraw/zinc/46/66/73/1000466673.db2.gz USRCVVUWYPHGAX-OWCLPIDISA-N 1 3 320.437 0.379 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2ccccn2)CC[N@H+]1C ZINC001401514266 1000466677 /nfs/dbraw/zinc/46/66/77/1000466677.db2.gz USRCVVUWYPHGAX-OWCLPIDISA-N 1 3 320.437 0.379 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001401534200 1000475574 /nfs/dbraw/zinc/47/55/74/1000475574.db2.gz CAHSTCLGKZPUJD-CVEARBPZSA-N 1 3 322.453 0.543 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001418737168 1000483732 /nfs/dbraw/zinc/48/37/32/1000483732.db2.gz GFCIOCAERNYHTL-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001418826081 1000553662 /nfs/dbraw/zinc/55/36/62/1000553662.db2.gz HZDDFYLTAKEREA-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CC[NH2+][C@H]1CCN(C2CCC2)C1=O)C(=O)CN1CCCC1 ZINC001418836205 1000560879 /nfs/dbraw/zinc/56/08/79/1000560879.db2.gz XTYIZGYWYVXRJJ-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001401652293 1000591948 /nfs/dbraw/zinc/59/19/48/1000591948.db2.gz NSRHDMKMUXZBFI-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)N(C)C(C)C)[NH+](C)C ZINC001401678436 1000618415 /nfs/dbraw/zinc/61/84/15/1000618415.db2.gz CDEXWKHLAFYHAB-UKRRQHHQSA-N 1 3 314.474 0.534 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505677905 1016434766 /nfs/dbraw/zinc/43/47/66/1016434766.db2.gz JYUUMRADHZYTIQ-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NCC1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001419040980 1000712734 /nfs/dbraw/zinc/71/27/34/1000712734.db2.gz HMEFIELAWYHLCG-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CN(C[C@H](O)CNCc1cncc(F)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507563733 1016455373 /nfs/dbraw/zinc/45/53/73/1016455373.db2.gz UDMGTAOEBGGHHC-UKRRQHHQSA-N 1 3 324.400 0.081 20 0 DCADHO CN(C[C@H](O)CNCc1cncc(F)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507563733 1016455382 /nfs/dbraw/zinc/45/53/82/1016455382.db2.gz UDMGTAOEBGGHHC-UKRRQHHQSA-N 1 3 324.400 0.081 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001419346022 1000989318 /nfs/dbraw/zinc/98/93/18/1000989318.db2.gz LVOVKGGQLRWZQY-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001419346022 1000989320 /nfs/dbraw/zinc/98/93/20/1000989320.db2.gz LVOVKGGQLRWZQY-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)N1CCCC1 ZINC001402070422 1000992092 /nfs/dbraw/zinc/99/20/92/1000992092.db2.gz DWCNHNXPTOKVCE-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001419357665 1000999067 /nfs/dbraw/zinc/99/90/67/1000999067.db2.gz KFDNGBWGUONLBR-INIZCTEOSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001419375503 1001008597 /nfs/dbraw/zinc/00/85/97/1001008597.db2.gz GJDYZLZWIAMSOB-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC001419378501 1001010464 /nfs/dbraw/zinc/01/04/64/1001010464.db2.gz SNNMRXTWEMRTCX-TUVASFSCSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001419523189 1001114523 /nfs/dbraw/zinc/11/45/23/1001114523.db2.gz ZPKJEYNITBPHPD-RUZUBIRVSA-N 1 3 310.442 0.231 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001419669067 1001209707 /nfs/dbraw/zinc/20/97/07/1001209707.db2.gz UXDKNNVKLISFST-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001419669067 1001209712 /nfs/dbraw/zinc/20/97/12/1001209712.db2.gz UXDKNNVKLISFST-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N(C)C)C2 ZINC001402415064 1001288903 /nfs/dbraw/zinc/28/89/03/1001288903.db2.gz QFASMGQWLRCMFS-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N(C)C)C2 ZINC001402415064 1001288906 /nfs/dbraw/zinc/28/89/06/1001288906.db2.gz QFASMGQWLRCMFS-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001402438997 1001309730 /nfs/dbraw/zinc/30/97/30/1001309730.db2.gz WZUICRFAOZTNGX-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H](C)C(=O)N(C)C ZINC001419827672 1001338760 /nfs/dbraw/zinc/33/87/60/1001338760.db2.gz PSLCQMRXWMNTPC-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CNCC(N)=O ZINC001419849047 1001353490 /nfs/dbraw/zinc/35/34/90/1001353490.db2.gz RGIYVBREDJJSSE-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001419936072 1001417906 /nfs/dbraw/zinc/41/79/06/1001417906.db2.gz MOWIDDFLTUVCBS-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001419941600 1001420193 /nfs/dbraw/zinc/42/01/93/1001420193.db2.gz VIQJAPGMWKEKFR-HIFRSBDPSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001402606573 1001437635 /nfs/dbraw/zinc/43/76/35/1001437635.db2.gz JALSFZGGAXIXPY-RWMBFGLXSA-N 1 3 312.458 0.336 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001402706888 1001476476 /nfs/dbraw/zinc/47/64/76/1001476476.db2.gz YBOHRSRFOIJAAA-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001402752950 1001489573 /nfs/dbraw/zinc/48/95/73/1001489573.db2.gz GEBXDRVYCXZYFK-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCn2cccn2)C1 ZINC001402769495 1001495469 /nfs/dbraw/zinc/49/54/69/1001495469.db2.gz IZCVIUBHKMGMCE-CABCVRRESA-N 1 3 307.442 0.660 20 0 DCADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+][C@@H](C)COC)CC1 ZINC001402803712 1001509548 /nfs/dbraw/zinc/50/95/48/1001509548.db2.gz HWPXYFSEQASJIU-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001402881371 1001553722 /nfs/dbraw/zinc/55/37/22/1001553722.db2.gz LDCYZRJNDMJLGM-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001403038922 1001643744 /nfs/dbraw/zinc/64/37/44/1001643744.db2.gz GYEJQZDKCXHBFJ-NWDGAFQWSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCCNC1=O ZINC001403173162 1001706356 /nfs/dbraw/zinc/70/63/56/1001706356.db2.gz YKZYXKYKVXBWDL-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001403213342 1001737752 /nfs/dbraw/zinc/73/77/52/1001737752.db2.gz COGDVQRLUITRBN-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCCN1C)[NH2+]CC(N)=O ZINC001403260141 1001767305 /nfs/dbraw/zinc/76/73/05/1001767305.db2.gz OAAAEQCLWUXTIM-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](F)CN1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001424649192 1001881241 /nfs/dbraw/zinc/88/12/41/1001881241.db2.gz RCJHQTWCMDMTPZ-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)[NH2+]CC(=O)Nc1ccon1 ZINC001420160926 1001956265 /nfs/dbraw/zinc/95/62/65/1001956265.db2.gz KPYZTDSCASDFDX-GFCCVEGCSA-N 1 3 323.397 0.193 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001424743930 1001967128 /nfs/dbraw/zinc/96/71/28/1001967128.db2.gz XLBLRGBSLCHFPL-PIMMBPRGSA-N 1 3 322.457 0.623 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnc(C)s1)N(C)C ZINC001420169736 1001969234 /nfs/dbraw/zinc/96/92/34/1001969234.db2.gz FLEWXUPCMQQFAP-YPMHNXCESA-N 1 3 314.455 0.358 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001403470937 1002001653 /nfs/dbraw/zinc/00/16/53/1002001653.db2.gz WJZUKDYVSHKERJ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CN1CCCC1 ZINC001420248431 1002111049 /nfs/dbraw/zinc/11/10/49/1002111049.db2.gz GZVMZVFVYZJYPV-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001403554586 1002134200 /nfs/dbraw/zinc/13/42/00/1002134200.db2.gz MFERGIJTJBRKRV-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001403554586 1002134205 /nfs/dbraw/zinc/13/42/05/1002134205.db2.gz MFERGIJTJBRKRV-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCCNC1=O ZINC001403589532 1002176115 /nfs/dbraw/zinc/17/61/15/1002176115.db2.gz OPJHIAGPRKRNSI-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC001403636768 1002246799 /nfs/dbraw/zinc/24/67/99/1002246799.db2.gz WARSUFPOCGNVGM-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC001403636768 1002246805 /nfs/dbraw/zinc/24/68/05/1002246805.db2.gz WARSUFPOCGNVGM-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001420377095 1002304368 /nfs/dbraw/zinc/30/43/68/1002304368.db2.gz NWDGYHGXMWOWPU-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001420436752 1002414866 /nfs/dbraw/zinc/41/48/66/1002414866.db2.gz YUDBDJQROZKLAI-UONOGXRCSA-N 1 3 322.453 0.235 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001508031558 1016617553 /nfs/dbraw/zinc/61/75/53/1016617553.db2.gz XKTOUNVKXWZZQM-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001508031558 1016617557 /nfs/dbraw/zinc/61/75/57/1016617557.db2.gz XKTOUNVKXWZZQM-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCn2cccn2)C[C@H]1C ZINC001403754856 1002473381 /nfs/dbraw/zinc/47/33/81/1002473381.db2.gz PXSAUIZFWKCLOB-HUUCEWRRSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420510535 1002527255 /nfs/dbraw/zinc/52/72/55/1002527255.db2.gz MFJGFHRVIUDCSP-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420510535 1002527269 /nfs/dbraw/zinc/52/72/69/1002527269.db2.gz MFJGFHRVIUDCSP-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCC(=O)NC)C(C)(C)C2)CC[N@@H+]1C ZINC001403814037 1002561103 /nfs/dbraw/zinc/56/11/03/1002561103.db2.gz QZJUNLGGRZNPCS-MJBXVCDLSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCC(=O)NC)C(C)(C)C2)CC[N@H+]1C ZINC001403814037 1002561117 /nfs/dbraw/zinc/56/11/17/1002561117.db2.gz QZJUNLGGRZNPCS-MJBXVCDLSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001420560471 1002619706 /nfs/dbraw/zinc/61/97/06/1002619706.db2.gz MQYJXOVQMJXVRB-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001420560471 1002619715 /nfs/dbraw/zinc/61/97/15/1002619715.db2.gz MQYJXOVQMJXVRB-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001425530160 1002769809 /nfs/dbraw/zinc/76/98/09/1002769809.db2.gz ZOIFEPGVRSHZGF-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@@H](C)C(=O)NC)C(C)(C)C ZINC001403955036 1002794007 /nfs/dbraw/zinc/79/40/07/1002794007.db2.gz HZWJMDLCBGTFEH-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@@H](C)C(=O)NC)C(C)(C)C ZINC001403955036 1002794010 /nfs/dbraw/zinc/79/40/10/1002794010.db2.gz HZWJMDLCBGTFEH-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001425562763 1002822281 /nfs/dbraw/zinc/82/22/81/1002822281.db2.gz YUBAKGRLJUPRPO-ZDUSSCGKSA-N 1 3 308.430 0.199 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001425597377 1002874164 /nfs/dbraw/zinc/87/41/64/1002874164.db2.gz DROODGXHRQLTNI-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1CCc1cnn(C)c1 ZINC001404016936 1002905996 /nfs/dbraw/zinc/90/59/96/1002905996.db2.gz HMHLBVYXMFDCKE-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1CCc1cnn(C)c1 ZINC001404016936 1002906005 /nfs/dbraw/zinc/90/60/05/1002906005.db2.gz HMHLBVYXMFDCKE-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001404017139 1002908561 /nfs/dbraw/zinc/90/85/61/1002908561.db2.gz AXMVNEVGOCMAGL-UHFFFAOYSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cccn1 ZINC001425650080 1002926584 /nfs/dbraw/zinc/92/65/84/1002926584.db2.gz HKUUTNZMYZHICT-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001425685546 1002957272 /nfs/dbraw/zinc/95/72/72/1002957272.db2.gz RNCMVTCCJUNHDZ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC(NC(=O)CC[NH+](C)C)C1 ZINC001405853440 1003143145 /nfs/dbraw/zinc/14/31/45/1003143145.db2.gz ZQLFIHJDOVJESC-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420941052 1003156988 /nfs/dbraw/zinc/15/69/88/1003156988.db2.gz QOTKCWZXQPPLOL-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420941052 1003156992 /nfs/dbraw/zinc/15/69/92/1003156992.db2.gz QOTKCWZXQPPLOL-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001420945714 1003162419 /nfs/dbraw/zinc/16/24/19/1003162419.db2.gz FNNYGCJKZXSJFQ-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001420945714 1003162424 /nfs/dbraw/zinc/16/24/24/1003162424.db2.gz FNNYGCJKZXSJFQ-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001425902844 1003244181 /nfs/dbraw/zinc/24/41/81/1003244181.db2.gz CQVXOENPVUEAPJ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001421132538 1003365246 /nfs/dbraw/zinc/36/52/46/1003365246.db2.gz CFLFFWDSIUCDFQ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001421132538 1003365253 /nfs/dbraw/zinc/36/52/53/1003365253.db2.gz CFLFFWDSIUCDFQ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001421168250 1003400053 /nfs/dbraw/zinc/40/00/53/1003400053.db2.gz KXQYSTCKIIIEHL-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001421168250 1003400057 /nfs/dbraw/zinc/40/00/57/1003400057.db2.gz KXQYSTCKIIIEHL-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001421168253 1003400231 /nfs/dbraw/zinc/40/02/31/1003400231.db2.gz KXQYSTCKIIIEHL-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001421168253 1003400238 /nfs/dbraw/zinc/40/02/38/1003400238.db2.gz KXQYSTCKIIIEHL-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@]1(C)CCC[N@H+](CCO)C1 ZINC001421300149 1003514951 /nfs/dbraw/zinc/51/49/51/1003514951.db2.gz NZAFNHRSHPMGPI-ZBFHGGJFSA-N 1 3 317.449 0.877 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@]1(C)CCC[N@@H+](CCO)C1 ZINC001421300149 1003514954 /nfs/dbraw/zinc/51/49/54/1003514954.db2.gz NZAFNHRSHPMGPI-ZBFHGGJFSA-N 1 3 317.449 0.877 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@]1(C)CCC[N@H+](CCO)C1 ZINC001421300141 1003514965 /nfs/dbraw/zinc/51/49/65/1003514965.db2.gz NZAFNHRSHPMGPI-GDBMZVCRSA-N 1 3 317.449 0.877 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@]1(C)CCC[N@@H+](CCO)C1 ZINC001421300141 1003514969 /nfs/dbraw/zinc/51/49/69/1003514969.db2.gz NZAFNHRSHPMGPI-GDBMZVCRSA-N 1 3 317.449 0.877 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@]1(C)CCC[N@H+](CCO)C1 ZINC001421300144 1003516424 /nfs/dbraw/zinc/51/64/24/1003516424.db2.gz NZAFNHRSHPMGPI-GOEBONIOSA-N 1 3 317.449 0.877 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@@]1(C)CCC[N@@H+](CCO)C1 ZINC001421300144 1003516429 /nfs/dbraw/zinc/51/64/29/1003516429.db2.gz NZAFNHRSHPMGPI-GOEBONIOSA-N 1 3 317.449 0.877 20 0 DCADHO CC[C@@H](F)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001406258573 1003538174 /nfs/dbraw/zinc/53/81/74/1003538174.db2.gz RHVAUDNLYHAOGF-OLZOCXBDSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001406362789 1003641139 /nfs/dbraw/zinc/64/11/39/1003641139.db2.gz AEKHNZZROJYUNG-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001406362789 1003641144 /nfs/dbraw/zinc/64/11/44/1003641144.db2.gz AEKHNZZROJYUNG-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001406367541 1003647127 /nfs/dbraw/zinc/64/71/27/1003647127.db2.gz XJRNHJHQBCVALM-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001406415055 1003696264 /nfs/dbraw/zinc/69/62/64/1003696264.db2.gz NGTZHOANUBSMAL-DGCLKSJQSA-N 1 3 321.425 0.271 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001406420754 1003702720 /nfs/dbraw/zinc/70/27/20/1003702720.db2.gz LZIRIKBVCFJKFU-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406481029 1003752828 /nfs/dbraw/zinc/75/28/28/1003752828.db2.gz KRZLIPHQFDAAOT-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001406560368 1003840869 /nfs/dbraw/zinc/84/08/69/1003840869.db2.gz OUYZQECBLNNQMK-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001406783057 1004090688 /nfs/dbraw/zinc/09/06/88/1004090688.db2.gz GLZHCSIYVCJECT-ZFWWWQNUSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001406783057 1004090697 /nfs/dbraw/zinc/09/06/97/1004090697.db2.gz GLZHCSIYVCJECT-ZFWWWQNUSA-N 1 3 305.426 0.356 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001428884013 1004239663 /nfs/dbraw/zinc/23/96/63/1004239663.db2.gz TZSRQTOYHMCTDH-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001428884013 1004239672 /nfs/dbraw/zinc/23/96/72/1004239672.db2.gz TZSRQTOYHMCTDH-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001407092904 1004370901 /nfs/dbraw/zinc/37/09/01/1004370901.db2.gz LBTWJZAABCRDSF-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001427465849 1004405056 /nfs/dbraw/zinc/40/50/56/1004405056.db2.gz SGCDQBCHJWKKDJ-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001427465849 1004405060 /nfs/dbraw/zinc/40/50/60/1004405060.db2.gz SGCDQBCHJWKKDJ-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO Cn1cc(CCN2CC[C@@](C)(NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001407184437 1004454872 /nfs/dbraw/zinc/45/48/72/1004454872.db2.gz RIQXAIZDCZVEKF-QGZVFWFLSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN(C)C1CCC1 ZINC001427697417 1004536972 /nfs/dbraw/zinc/53/69/72/1004536972.db2.gz PAEZHHZDSAHTLI-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](F)CC[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001407356724 1004582349 /nfs/dbraw/zinc/58/23/49/1004582349.db2.gz ZSSUSQQOVUYNNX-ZFWWWQNUSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001407356724 1004582353 /nfs/dbraw/zinc/58/23/53/1004582353.db2.gz ZSSUSQQOVUYNNX-ZFWWWQNUSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001429457617 1004610041 /nfs/dbraw/zinc/61/00/41/1004610041.db2.gz WALJPCJEGCRWMF-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001407718781 1004819043 /nfs/dbraw/zinc/81/90/43/1004819043.db2.gz QJYHRXMEOVJAAX-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001407781948 1004857806 /nfs/dbraw/zinc/85/78/06/1004857806.db2.gz XCSYLQPSZSRHPZ-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001407781948 1004857813 /nfs/dbraw/zinc/85/78/13/1004857813.db2.gz XCSYLQPSZSRHPZ-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001508590503 1016924291 /nfs/dbraw/zinc/92/42/91/1016924291.db2.gz YQTANDROIQMGOY-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC001408101544 1005040544 /nfs/dbraw/zinc/04/05/44/1005040544.db2.gz YUQNPIZJLQPBJW-UHFFFAOYSA-N 1 3 322.457 0.628 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001408197856 1005103461 /nfs/dbraw/zinc/10/34/61/1005103461.db2.gz BLRLUVXCMWTJTP-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001414501792 1005347818 /nfs/dbraw/zinc/34/78/18/1005347818.db2.gz DKTXHJIAXXVCAR-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001414501792 1005347821 /nfs/dbraw/zinc/34/78/21/1005347821.db2.gz DKTXHJIAXXVCAR-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N(C)CCn1cncn1 ZINC001506064876 1016966249 /nfs/dbraw/zinc/96/62/49/1016966249.db2.gz FFHGEUTUIDSLBM-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001414966097 1005434272 /nfs/dbraw/zinc/43/42/72/1005434272.db2.gz QLSMXXVWVNFIHS-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001414966097 1005434274 /nfs/dbraw/zinc/43/42/74/1005434274.db2.gz QLSMXXVWVNFIHS-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001415773827 1005609455 /nfs/dbraw/zinc/60/94/55/1005609455.db2.gz WHPQQEMPYSDYSR-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001415773827 1005609456 /nfs/dbraw/zinc/60/94/56/1005609456.db2.gz WHPQQEMPYSDYSR-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001416125243 1005663619 /nfs/dbraw/zinc/66/36/19/1005663619.db2.gz APASEZXFAIINMZ-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001416817356 1005741052 /nfs/dbraw/zinc/74/10/52/1005741052.db2.gz VZPIJJAWKLXDLZ-SYQHCUMBSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001416817356 1005741055 /nfs/dbraw/zinc/74/10/55/1005741055.db2.gz VZPIJJAWKLXDLZ-SYQHCUMBSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001417136203 1005791165 /nfs/dbraw/zinc/79/11/65/1005791165.db2.gz BVZQFVHDBUIAJM-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001417136203 1005791168 /nfs/dbraw/zinc/79/11/68/1005791168.db2.gz BVZQFVHDBUIAJM-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1nncc1CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001417994530 1005950036 /nfs/dbraw/zinc/95/00/36/1005950036.db2.gz MUYFIFREHZCGPL-OAHLLOKOSA-N 1 3 320.441 0.141 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1cnn(C)c1)C1CC1 ZINC001418011185 1005954681 /nfs/dbraw/zinc/95/46/81/1005954681.db2.gz MHUDYIGPWDWIRW-HNNXBMFYSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](C[NH2+]Cc1cncn1C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001438685349 1006027848 /nfs/dbraw/zinc/02/78/48/1006027848.db2.gz VELYMNRRLXUGGC-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001438737551 1006085847 /nfs/dbraw/zinc/08/58/47/1006085847.db2.gz ZCCNIEXUAKNWOW-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001438737551 1006085860 /nfs/dbraw/zinc/08/58/60/1006085860.db2.gz ZCCNIEXUAKNWOW-MGPQQGTHSA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCCC1)N(C)C ZINC001438751428 1006095151 /nfs/dbraw/zinc/09/51/51/1006095151.db2.gz ZABVNQNLLJKBEW-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cnns1 ZINC001438762887 1006099533 /nfs/dbraw/zinc/09/95/33/1006099533.db2.gz CIZWCOMZDWRRJD-YPMHNXCESA-N 1 3 311.455 0.816 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC)CC[N@@H+]1C ZINC001418166582 1006122417 /nfs/dbraw/zinc/12/24/17/1006122417.db2.gz JTPGHTVCJTXMNG-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC)CC[N@H+]1C ZINC001418166582 1006122422 /nfs/dbraw/zinc/12/24/22/1006122422.db2.gz JTPGHTVCJTXMNG-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](CCO)CCCF)C1)N(C)C ZINC001436460639 1006194637 /nfs/dbraw/zinc/19/46/37/1006194637.db2.gz OYECNMNQTJIBSN-GJZGRUSLSA-N 1 3 317.449 0.972 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](CCO)CCCF)C1)N(C)C ZINC001436460639 1006194647 /nfs/dbraw/zinc/19/46/47/1006194647.db2.gz OYECNMNQTJIBSN-GJZGRUSLSA-N 1 3 317.449 0.972 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001418222896 1006197485 /nfs/dbraw/zinc/19/74/85/1006197485.db2.gz RELPOUISGJHBKH-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436474449 1006206009 /nfs/dbraw/zinc/20/60/09/1006206009.db2.gz YBQPTZHFZXKYME-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001418241615 1006232535 /nfs/dbraw/zinc/23/25/35/1006232535.db2.gz PYBPXKORELYVSR-DGCLKSJQSA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001418241615 1006232544 /nfs/dbraw/zinc/23/25/44/1006232544.db2.gz PYBPXKORELYVSR-DGCLKSJQSA-N 1 3 308.430 0.582 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)CNC(=O)CC[NH+](C)C ZINC001451631696 1006326542 /nfs/dbraw/zinc/32/65/42/1006326542.db2.gz SEOAORXYYAECMN-LLVKDONJSA-N 1 3 309.414 0.081 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001418325465 1006378854 /nfs/dbraw/zinc/37/88/54/1006378854.db2.gz CKDFFBNIHZLFQA-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001418325465 1006378870 /nfs/dbraw/zinc/37/88/70/1006378870.db2.gz CKDFFBNIHZLFQA-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001418335608 1006397436 /nfs/dbraw/zinc/39/74/36/1006397436.db2.gz MLVHMNBAXSODJU-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2ccccc2F)C1 ZINC001439045395 1006404537 /nfs/dbraw/zinc/40/45/37/1006404537.db2.gz NGUDMAWPQIUTEG-ZIAGYGMSSA-N 1 3 309.385 0.344 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2ccccc2F)C1 ZINC001439045395 1006404545 /nfs/dbraw/zinc/40/45/45/1006404545.db2.gz NGUDMAWPQIUTEG-ZIAGYGMSSA-N 1 3 309.385 0.344 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001436899090 1006443429 /nfs/dbraw/zinc/44/34/29/1006443429.db2.gz YTCFFILBKLENOM-MGPQQGTHSA-N 1 3 324.469 0.622 20 0 DCADHO COc1ccnc(CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)c1 ZINC001436907285 1006447196 /nfs/dbraw/zinc/44/71/96/1006447196.db2.gz BBUBBOPGAYDKML-JOCQHMNTSA-N 1 3 306.410 0.779 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001439111946 1006484578 /nfs/dbraw/zinc/48/45/78/1006484578.db2.gz VBKDSECRMWULSK-KGLIPLIRSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001439111946 1006484582 /nfs/dbraw/zinc/48/45/82/1006484582.db2.gz VBKDSECRMWULSK-KGLIPLIRSA-N 1 3 312.458 0.478 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1=O)N(C)C ZINC001439128330 1006496758 /nfs/dbraw/zinc/49/67/58/1006496758.db2.gz GHAHDRLONJMLRF-MGPQQGTHSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001439256934 1006628407 /nfs/dbraw/zinc/62/84/07/1006628407.db2.gz XHGSTGDJUXGDNL-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)NC(C)(C)C)C1CC1 ZINC001439475665 1006901554 /nfs/dbraw/zinc/90/15/54/1006901554.db2.gz VSYGVYGLIVTFFA-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cnns1 ZINC001437374302 1006901802 /nfs/dbraw/zinc/90/18/02/1006901802.db2.gz TWMLEWPBUQCNKF-FZMZJTMJSA-N 1 3 323.466 0.864 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)CCO[C@H]1CC1(F)F ZINC001437541680 1007117145 /nfs/dbraw/zinc/11/71/45/1007117145.db2.gz PMBAFBYDINIFKZ-LBPRGKRZSA-N 1 3 317.380 0.554 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC ZINC001439791368 1007203051 /nfs/dbraw/zinc/20/30/51/1007203051.db2.gz UBTBCYGSULMRBE-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC ZINC001439791368 1007203060 /nfs/dbraw/zinc/20/30/60/1007203060.db2.gz UBTBCYGSULMRBE-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001439891322 1007287244 /nfs/dbraw/zinc/28/72/44/1007287244.db2.gz OKPOUMCEBBEFTB-CJNGLKHVSA-N 1 3 324.469 0.563 20 0 DCADHO CO[C@H](C)CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001437786753 1007406753 /nfs/dbraw/zinc/40/67/53/1007406753.db2.gz VENANQWWOVHUAO-CZUORRHYSA-N 1 3 309.454 0.944 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001437855906 1007467194 /nfs/dbraw/zinc/46/71/94/1007467194.db2.gz LGBDKHWQOUBANR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001437855906 1007467201 /nfs/dbraw/zinc/46/72/01/1007467201.db2.gz LGBDKHWQOUBANR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437913724 1007494321 /nfs/dbraw/zinc/49/43/21/1007494321.db2.gz AZEUKWREBMZNSD-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001437913724 1007494325 /nfs/dbraw/zinc/49/43/25/1007494325.db2.gz AZEUKWREBMZNSD-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001440137890 1007514683 /nfs/dbraw/zinc/51/46/83/1007514683.db2.gz RFHNHUWRRHQCJZ-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001440207261 1007579807 /nfs/dbraw/zinc/57/98/07/1007579807.db2.gz KOZARNCNZDFUAQ-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001440400948 1007729103 /nfs/dbraw/zinc/72/91/03/1007729103.db2.gz HLCCNABCFFNWQY-FRRDWIJNSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1ccnn1C ZINC001438311167 1007808371 /nfs/dbraw/zinc/80/83/71/1007808371.db2.gz OESKIWVCOBSVON-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO CN(CC(=O)N[C@](C)(C[NH2+][C@@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001438422669 1007897795 /nfs/dbraw/zinc/89/77/95/1007897795.db2.gz TYNOTYDBMSNCIJ-RHSMWYFYSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001440664113 1007946587 /nfs/dbraw/zinc/94/65/87/1007946587.db2.gz QQXMGQPWGZJMQO-IHRRRGAJSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001438557732 1007996452 /nfs/dbraw/zinc/99/64/52/1007996452.db2.gz ZINOXODLZIKXED-CYBMUJFWSA-N 1 3 309.458 0.911 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001441395723 1008344525 /nfs/dbraw/zinc/34/45/25/1008344525.db2.gz CHFWPAZXBDSBIW-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001441652354 1008441286 /nfs/dbraw/zinc/44/12/86/1008441286.db2.gz OKSXGFGKIKFTDY-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001441652354 1008441291 /nfs/dbraw/zinc/44/12/91/1008441291.db2.gz OKSXGFGKIKFTDY-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001441655093 1008442696 /nfs/dbraw/zinc/44/26/96/1008442696.db2.gz LHMUEPHGPXTGNE-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1[C@H](NCc2ccnn2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441818926 1008515854 /nfs/dbraw/zinc/51/58/54/1008515854.db2.gz HOBXQUBPRZHGPD-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)n[nH]1 ZINC001441823421 1008520870 /nfs/dbraw/zinc/52/08/70/1008520870.db2.gz MKDUJFLWUPYMTB-YPMHNXCESA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)[C@@H]1C ZINC001441826209 1008526008 /nfs/dbraw/zinc/52/60/08/1008526008.db2.gz PIAMDUJFZCENSM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)[C@@H]1C ZINC001441826209 1008526015 /nfs/dbraw/zinc/52/60/15/1008526015.db2.gz PIAMDUJFZCENSM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001441831733 1008533747 /nfs/dbraw/zinc/53/37/47/1008533747.db2.gz WLCFQIUJNRBVLM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001433158192 1008562166 /nfs/dbraw/zinc/56/21/66/1008562166.db2.gz GSHNCQRSEPDIJB-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001433158192 1008562180 /nfs/dbraw/zinc/56/21/80/1008562180.db2.gz GSHNCQRSEPDIJB-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001441844188 1008563875 /nfs/dbraw/zinc/56/38/75/1008563875.db2.gz UQMRYXKKCGINCV-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cccn1 ZINC001441866139 1008596686 /nfs/dbraw/zinc/59/66/86/1008596686.db2.gz NYRIPKPOJXCSNC-HUUCEWRRSA-N 1 3 307.442 0.852 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1n[nH]c(C2CC2)n1 ZINC001421483234 1008646005 /nfs/dbraw/zinc/64/60/05/1008646005.db2.gz AGDBDJGTQTXQAG-CHWSQXEVSA-N 1 3 320.441 0.618 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C2CC2)n1 ZINC001421483234 1008646010 /nfs/dbraw/zinc/64/60/10/1008646010.db2.gz AGDBDJGTQTXQAG-CHWSQXEVSA-N 1 3 320.441 0.618 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001441919842 1008657428 /nfs/dbraw/zinc/65/74/28/1008657428.db2.gz PZFLLEIIRKTMFE-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001441942335 1008681890 /nfs/dbraw/zinc/68/18/90/1008681890.db2.gz BVLXVKDKDMNNAA-OLZOCXBDSA-N 1 3 314.474 0.535 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001441940952 1008682652 /nfs/dbraw/zinc/68/26/52/1008682652.db2.gz XKSNXLQLQGOGIZ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001441940952 1008682661 /nfs/dbraw/zinc/68/26/61/1008682661.db2.gz XKSNXLQLQGOGIZ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CCCF)C2)CC[N@@H+]1C ZINC001421602245 1008783239 /nfs/dbraw/zinc/78/32/39/1008783239.db2.gz QBTLSGMPCVOKLD-IIAWOOMASA-N 1 3 315.433 0.629 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CCCF)C2)CC[N@H+]1C ZINC001421602245 1008783249 /nfs/dbraw/zinc/78/32/49/1008783249.db2.gz QBTLSGMPCVOKLD-IIAWOOMASA-N 1 3 315.433 0.629 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001421663495 1008891318 /nfs/dbraw/zinc/89/13/18/1008891318.db2.gz NPHJRBDGXPUFGO-BIQWYFBQSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001442062018 1008911181 /nfs/dbraw/zinc/91/11/81/1008911181.db2.gz IYEYRQKFAAJEKF-ZBFHGGJFSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001433549515 1008929638 /nfs/dbraw/zinc/92/96/38/1008929638.db2.gz OCHHQQUGNSAMCR-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001433549515 1008929654 /nfs/dbraw/zinc/92/96/54/1008929654.db2.gz OCHHQQUGNSAMCR-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001454158868 1008963955 /nfs/dbraw/zinc/96/39/55/1008963955.db2.gz WJAKCWISYBGGLH-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001454158868 1008963968 /nfs/dbraw/zinc/96/39/68/1008963968.db2.gz WJAKCWISYBGGLH-HUUCEWRRSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(N)=O)N1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001442226296 1009113123 /nfs/dbraw/zinc/11/31/23/1009113123.db2.gz ZECIYWVUTODSAT-GXTWGEPZSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CC(NCC(=O)Nc2ccon2)C1 ZINC001442249177 1009133707 /nfs/dbraw/zinc/13/37/07/1009133707.db2.gz HHZDQVJUZITYCS-UHFFFAOYSA-N 1 3 323.397 0.144 20 0 DCADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1nccn1C ZINC001442297258 1009167453 /nfs/dbraw/zinc/16/74/53/1009167453.db2.gz SJKRRACBTHZSRK-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NCc1nccn1C ZINC001442297258 1009167461 /nfs/dbraw/zinc/16/74/61/1009167461.db2.gz SJKRRACBTHZSRK-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001454622849 1009231344 /nfs/dbraw/zinc/23/13/44/1009231344.db2.gz LFMPGLRMDWJGIE-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001454622849 1009231354 /nfs/dbraw/zinc/23/13/54/1009231354.db2.gz LFMPGLRMDWJGIE-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001421963310 1009327376 /nfs/dbraw/zinc/32/73/76/1009327376.db2.gz SLKJCLKTLSMQSP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001442521439 1009439259 /nfs/dbraw/zinc/43/92/59/1009439259.db2.gz QFHCLXNOYLUMLS-CQSZACIVSA-N 1 3 320.437 0.275 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001442521439 1009439271 /nfs/dbraw/zinc/43/92/71/1009439271.db2.gz QFHCLXNOYLUMLS-CQSZACIVSA-N 1 3 320.437 0.275 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001442524561 1009442391 /nfs/dbraw/zinc/44/23/91/1009442391.db2.gz JJXLJBGYIFUBSE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)C[C@@H]1CCc2ncnn21 ZINC001442754307 1009699788 /nfs/dbraw/zinc/69/97/88/1009699788.db2.gz DUHBVOHOGSBTMF-AWEZNQCLSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)C[C@@H]1CCc2ncnn21 ZINC001442754307 1009699794 /nfs/dbraw/zinc/69/97/94/1009699794.db2.gz DUHBVOHOGSBTMF-AWEZNQCLSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001422276705 1009753661 /nfs/dbraw/zinc/75/36/61/1009753661.db2.gz HYHNYSCVKRPHSN-DNOWBOINSA-N 1 3 322.453 0.091 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001442878741 1009870378 /nfs/dbraw/zinc/87/03/78/1009870378.db2.gz LIOCWIGCBZLWHY-GFCCVEGCSA-N 1 3 323.441 0.566 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001442878741 1009870387 /nfs/dbraw/zinc/87/03/87/1009870387.db2.gz LIOCWIGCBZLWHY-GFCCVEGCSA-N 1 3 323.441 0.566 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001455687596 1009906813 /nfs/dbraw/zinc/90/68/13/1009906813.db2.gz PJFIXKNYDJSGTD-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001455687596 1009906824 /nfs/dbraw/zinc/90/68/24/1009906824.db2.gz PJFIXKNYDJSGTD-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001442907068 1009920351 /nfs/dbraw/zinc/92/03/51/1009920351.db2.gz OMXCHVVPEFYHNG-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001442907068 1009920360 /nfs/dbraw/zinc/92/03/60/1009920360.db2.gz OMXCHVVPEFYHNG-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422354402 1009937122 /nfs/dbraw/zinc/93/71/22/1009937122.db2.gz QHAKSZRXCASADE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCC(=O)N1CCCC1)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422390556 1010002409 /nfs/dbraw/zinc/00/24/09/1010002409.db2.gz GKYRCECYINWEQQ-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCc1ccns1)[NH+](C)C ZINC001422394496 1010015029 /nfs/dbraw/zinc/01/50/29/1010015029.db2.gz BNGFULRSKVGFMW-AAEUAGOBSA-N 1 3 314.455 0.296 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001443016195 1010054894 /nfs/dbraw/zinc/05/48/94/1010054894.db2.gz LJWOBJNKZYBCRW-JKSUJKDBSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001443016195 1010054913 /nfs/dbraw/zinc/05/49/13/1010054913.db2.gz LJWOBJNKZYBCRW-JKSUJKDBSA-N 1 3 309.454 0.966 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422435911 1010078926 /nfs/dbraw/zinc/07/89/26/1010078926.db2.gz AZAFCTWIVKIVEQ-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001422507294 1010206050 /nfs/dbraw/zinc/20/60/50/1010206050.db2.gz VXUHGTOSLNVAJM-IPYPFGDCSA-N 1 3 322.457 0.446 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001443258629 1010270878 /nfs/dbraw/zinc/27/08/78/1010270878.db2.gz ZKZIEJMCVZIYPR-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001443258629 1010270882 /nfs/dbraw/zinc/27/08/82/1010270882.db2.gz ZKZIEJMCVZIYPR-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C[NH2+]C[C@H]1CCc2ncnn21)NC(=O)C1(N(C)C)CCC1 ZINC001422659895 1010466487 /nfs/dbraw/zinc/46/64/87/1010466487.db2.gz JKOOWELVIZGUDD-QWHCGFSZSA-N 1 3 320.441 0.344 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001422694865 1010493632 /nfs/dbraw/zinc/49/36/32/1010493632.db2.gz FUKPPJFYXBNRPL-QEJZJMRPSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001422847406 1010669891 /nfs/dbraw/zinc/66/98/91/1010669891.db2.gz CGRNWPVICWRHAX-UONOGXRCSA-N 1 3 315.458 0.162 20 0 DCADHO Cn1cnnc1CNC[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001422937378 1010756809 /nfs/dbraw/zinc/75/68/09/1010756809.db2.gz PFJLCRTVULTMJM-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001422987634 1010790222 /nfs/dbraw/zinc/79/02/22/1010790222.db2.gz MXPPTFFFDYGCIN-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001422987634 1010790226 /nfs/dbraw/zinc/79/02/26/1010790226.db2.gz MXPPTFFFDYGCIN-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001443986224 1010791620 /nfs/dbraw/zinc/79/16/20/1010791620.db2.gz QSOHHMQAFXXPIZ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001422990811 1010792870 /nfs/dbraw/zinc/79/28/70/1010792870.db2.gz CIRWURACIOEWID-YUELXQCFSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001422990811 1010792878 /nfs/dbraw/zinc/79/28/78/1010792878.db2.gz CIRWURACIOEWID-YUELXQCFSA-N 1 3 324.469 0.336 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001423093010 1010881952 /nfs/dbraw/zinc/88/19/52/1010881952.db2.gz FDLJOUVGILPWLB-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423152125 1010927960 /nfs/dbraw/zinc/92/79/60/1010927960.db2.gz PBUJEKLCLCAJAF-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001423173798 1010943338 /nfs/dbraw/zinc/94/33/38/1010943338.db2.gz RDOFHGWCXULVEO-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(N[C@@H](CC)C(N)=O)CC2)C1 ZINC001423252845 1011018826 /nfs/dbraw/zinc/01/88/26/1011018826.db2.gz UFQHVFFVQBJTJC-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(N[C@@H](CC)C(N)=O)CC2)C1 ZINC001423252845 1011018831 /nfs/dbraw/zinc/01/88/31/1011018831.db2.gz UFQHVFFVQBJTJC-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001423295611 1011056389 /nfs/dbraw/zinc/05/63/89/1011056389.db2.gz XREQGFAZDQGTKX-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)C(=O)CN[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001423403088 1011126218 /nfs/dbraw/zinc/12/62/18/1011126218.db2.gz MAPNZCDEBKBAMO-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CN[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001423403088 1011126221 /nfs/dbraw/zinc/12/62/21/1011126221.db2.gz MAPNZCDEBKBAMO-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC)C(C)(C)C1 ZINC001423404924 1011127441 /nfs/dbraw/zinc/12/74/41/1011127441.db2.gz PZCAKTJKXXVNBF-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001423409246 1011129623 /nfs/dbraw/zinc/12/96/23/1011129623.db2.gz LKTHATMMCHIUEV-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001444695029 1011135177 /nfs/dbraw/zinc/13/51/77/1011135177.db2.gz CGGCSWCSRFKLDZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001444695029 1011135182 /nfs/dbraw/zinc/13/51/82/1011135182.db2.gz CGGCSWCSRFKLDZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C[NH2+]C[C@H]1CCc2ncnn21)N(C)C(=O)CN1CCCC1 ZINC001444733034 1011151010 /nfs/dbraw/zinc/15/10/10/1011151010.db2.gz SJBUKBNDPFVVAL-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001444765947 1011165272 /nfs/dbraw/zinc/16/52/72/1011165272.db2.gz AHAHHVBWMPKISH-KGLIPLIRSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001444765947 1011165276 /nfs/dbraw/zinc/16/52/76/1011165276.db2.gz AHAHHVBWMPKISH-KGLIPLIRSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001444822816 1011180913 /nfs/dbraw/zinc/18/09/13/1011180913.db2.gz SPWIQEPODMGCTH-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CN(CC(=O)N1CC[C@](C)(NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001506486733 1017313101 /nfs/dbraw/zinc/31/31/01/1017313101.db2.gz SMDYVNPDRKRXTK-KRWDZBQOSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@H](O)CNCc1cccnc1)C12CCC[NH+]1CCC2 ZINC001445212393 1011531259 /nfs/dbraw/zinc/53/12/59/1011531259.db2.gz XHJMGKMQSRDFML-OAHLLOKOSA-N 1 3 318.421 0.277 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)C1 ZINC001445429339 1011758041 /nfs/dbraw/zinc/75/80/41/1011758041.db2.gz MZKOZRLQADJZNE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)C1 ZINC001445429339 1011758052 /nfs/dbraw/zinc/75/80/52/1011758052.db2.gz MZKOZRLQADJZNE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C(C)(C)C)C1=O)NC(=O)CC[NH+](C)C ZINC001445427984 1011760121 /nfs/dbraw/zinc/76/01/21/1011760121.db2.gz SGPNLQWSKBZYBE-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001445433036 1011766971 /nfs/dbraw/zinc/76/69/71/1011766971.db2.gz FSHPNGMQVJLCLI-CHWSQXEVSA-N 1 3 322.457 0.543 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001445433036 1011766986 /nfs/dbraw/zinc/76/69/86/1011766986.db2.gz FSHPNGMQVJLCLI-CHWSQXEVSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001445499353 1011838585 /nfs/dbraw/zinc/83/85/85/1011838585.db2.gz NDRJDTHJCGZXDV-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CCN1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553439616 1011975876 /nfs/dbraw/zinc/97/58/76/1011975876.db2.gz UTMNAFWQWWIPNN-UONOGXRCSA-N 1 3 310.442 0.539 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@](C[NH3+])(C2CCOCC2)C1 ZINC001553441065 1011978128 /nfs/dbraw/zinc/97/81/28/1011978128.db2.gz ZKIFJMGOMWBEDG-RDJZCZTQSA-N 1 3 324.469 0.868 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC12CCC2 ZINC001553444211 1011982375 /nfs/dbraw/zinc/98/23/75/1011982375.db2.gz KEQMVPDDHYKEGG-BFHYXJOUSA-N 1 3 308.426 0.372 20 0 DCADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553493915 1012025884 /nfs/dbraw/zinc/02/58/84/1012025884.db2.gz ATGLNCGBSKUHBQ-YKUJZXIWSA-N 1 3 322.453 0.510 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001432145661 1012026397 /nfs/dbraw/zinc/02/63/97/1012026397.db2.gz GCIIPKUXTSAXQH-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001445632009 1012028090 /nfs/dbraw/zinc/02/80/90/1012028090.db2.gz XLUSIWCJUGDYLW-NWDGAFQWSA-N 1 3 306.410 0.330 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001445632015 1012031176 /nfs/dbraw/zinc/03/11/76/1012031176.db2.gz XLUSIWCJUGDYLW-RYUDHWBXSA-N 1 3 306.410 0.330 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553498116 1012032604 /nfs/dbraw/zinc/03/26/04/1012032604.db2.gz NALMVBLXEVAUPR-AJNGGQMLSA-N 1 3 310.442 0.354 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553513423 1012057599 /nfs/dbraw/zinc/05/75/99/1012057599.db2.gz ZDPAGYZRKJCKIX-BZUAXINKSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001432265405 1012224989 /nfs/dbraw/zinc/22/49/89/1012224989.db2.gz CWRGJTDBXPONPF-UHFFFAOYSA-N 1 3 319.409 0.155 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001458750220 1012342302 /nfs/dbraw/zinc/34/23/02/1012342302.db2.gz FAIQFDWTISPUHE-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001445846408 1012345479 /nfs/dbraw/zinc/34/54/79/1012345479.db2.gz LTFGKDMXPIXCQJ-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001445846408 1012345491 /nfs/dbraw/zinc/34/54/91/1012345491.db2.gz LTFGKDMXPIXCQJ-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001432349342 1012354787 /nfs/dbraw/zinc/35/47/87/1012354787.db2.gz SPVIYCZJFCPMKJ-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001432349342 1012354793 /nfs/dbraw/zinc/35/47/93/1012354793.db2.gz SPVIYCZJFCPMKJ-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)CC1 ZINC001445965194 1012470826 /nfs/dbraw/zinc/47/08/26/1012470826.db2.gz IKVSRJDHVABUFX-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CC(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001429749518 1012738907 /nfs/dbraw/zinc/73/89/07/1012738907.db2.gz JNLWZMJNCDKIDO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001548572389 1012740614 /nfs/dbraw/zinc/74/06/14/1012740614.db2.gz KXRXVVQJULXXQU-CWRNSKLLSA-N 1 3 321.396 0.487 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)C[N@@H+]2C1 ZINC001548704659 1012999465 /nfs/dbraw/zinc/99/94/65/1012999465.db2.gz DOELZXBZRIALNM-XAJHFOFHSA-N 1 3 321.465 0.774 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)C[N@H+]2C1 ZINC001548704659 1012999475 /nfs/dbraw/zinc/99/94/75/1012999475.db2.gz DOELZXBZRIALNM-XAJHFOFHSA-N 1 3 321.465 0.774 20 0 DCADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001515317302 1017116149 /nfs/dbraw/zinc/11/61/49/1017116149.db2.gz AYGVQIRYCOFLSB-COSBLLOGSA-N 1 3 307.438 0.600 20 0 DCADHO C[NH+]1CCC(C(=O)NC2(CNCC(N)=O)CCCCC2)CC1 ZINC001506519726 1017334408 /nfs/dbraw/zinc/33/44/08/1017334408.db2.gz VOLDWWREOVHOKY-UHFFFAOYSA-N 1 3 310.442 0.222 20 0 DCADHO CC(C)OCCN1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506663541 1017447502 /nfs/dbraw/zinc/44/75/02/1017447502.db2.gz ICJRCOSUQUGESF-CQSZACIVSA-N 1 3 309.454 0.944 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001506959220 1017708356 /nfs/dbraw/zinc/70/83/56/1017708356.db2.gz ZKUYKZQRQGPPNO-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001506959220 1017708360 /nfs/dbraw/zinc/70/83/60/1017708360.db2.gz ZKUYKZQRQGPPNO-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCc2ncnn21)N(C)C ZINC001479796238 1017775895 /nfs/dbraw/zinc/77/58/95/1017775895.db2.gz DQCCRQSDLKHAJA-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+](C)C[C@@H]1CCc2ncnn21)N(C)C ZINC001479796238 1017775907 /nfs/dbraw/zinc/77/59/07/1017775907.db2.gz DQCCRQSDLKHAJA-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001479866469 1017919127 /nfs/dbraw/zinc/91/91/27/1017919127.db2.gz NXUZNMMIXMLLGA-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001479866469 1017919134 /nfs/dbraw/zinc/91/91/34/1017919134.db2.gz NXUZNMMIXMLLGA-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499614021 1017996694 /nfs/dbraw/zinc/99/66/94/1017996694.db2.gz JPJWUGATIMJVCD-YOEHRIQHSA-N 1 3 324.469 0.517 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001480028229 1018137002 /nfs/dbraw/zinc/13/70/02/1018137002.db2.gz LABQUHLWCGUTOS-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccnn3C)C2)CCC1 ZINC001480141361 1018247745 /nfs/dbraw/zinc/24/77/45/1018247745.db2.gz CIEMUMJYDBLSDT-JOCQHMNTSA-N 1 3 305.426 0.641 20 0 DCADHO CCNC(=O)CN[C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001495033897 1018250969 /nfs/dbraw/zinc/25/09/69/1018250969.db2.gz HDAYZRBLDSQTPH-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1)N(C)C ZINC001480158061 1018263930 /nfs/dbraw/zinc/26/39/30/1018263930.db2.gz IBPQTDXBKUUUPY-CYDGBPFRSA-N 1 3 319.396 0.988 20 0 DCADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001497751141 1018386680 /nfs/dbraw/zinc/38/66/80/1018386680.db2.gz YARNBZSVJRTSBN-OYADATRGSA-N 1 3 322.453 0.261 20 0 DCADHO Cn1ccc(CNC[C@@]2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001500401040 1018441106 /nfs/dbraw/zinc/44/11/06/1018441106.db2.gz BTQHBFZOOICUGP-WMLDXEAASA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@@]2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001500401040 1018441109 /nfs/dbraw/zinc/44/11/09/1018441109.db2.gz BTQHBFZOOICUGP-WMLDXEAASA-N 1 3 319.453 0.700 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cncn1C ZINC001497825631 1018450641 /nfs/dbraw/zinc/45/06/41/1018450641.db2.gz SORJNUKHOIEHQZ-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cncn1C ZINC001497825631 1018450650 /nfs/dbraw/zinc/45/06/50/1018450650.db2.gz SORJNUKHOIEHQZ-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001495429524 1018501946 /nfs/dbraw/zinc/50/19/46/1018501946.db2.gz WPOVQLWAGGCVIC-LBPRGKRZSA-N 1 3 321.425 0.305 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC001480679150 1018767943 /nfs/dbraw/zinc/76/79/43/1018767943.db2.gz HDBWCXGKHFHCDZ-JKSUJKDBSA-N 1 3 309.454 0.947 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496098177 1019064977 /nfs/dbraw/zinc/06/49/77/1019064977.db2.gz UHFVKOZYXFZYHU-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496228704 1019177463 /nfs/dbraw/zinc/17/74/63/1019177463.db2.gz BVKJKBKROVZYPJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496228704 1019177473 /nfs/dbraw/zinc/17/74/73/1019177473.db2.gz BVKJKBKROVZYPJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001498597673 1019256148 /nfs/dbraw/zinc/25/61/48/1019256148.db2.gz MOHARKVXMKMBCG-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001498634414 1019285546 /nfs/dbraw/zinc/28/55/46/1019285546.db2.gz KZJLNVISSQKWBP-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO Cn1ccnc1CNCC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501647110 1019354185 /nfs/dbraw/zinc/35/41/85/1019354185.db2.gz BWMZFJVPSCWVCF-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501647110 1019354197 /nfs/dbraw/zinc/35/41/97/1019354197.db2.gz BWMZFJVPSCWVCF-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001498773349 1019413913 /nfs/dbraw/zinc/41/39/13/1019413913.db2.gz IJDUJCHTJHICNZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001498773349 1019413923 /nfs/dbraw/zinc/41/39/23/1019413923.db2.gz IJDUJCHTJHICNZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001501864629 1019528060 /nfs/dbraw/zinc/52/80/60/1019528060.db2.gz JBRLVVPDIRYIJC-NQHOJNORSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001501864629 1019528073 /nfs/dbraw/zinc/52/80/73/1019528073.db2.gz JBRLVVPDIRYIJC-NQHOJNORSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493725776 1019661306 /nfs/dbraw/zinc/66/13/06/1019661306.db2.gz MYJNJSIRSZYTJU-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493725776 1019661321 /nfs/dbraw/zinc/66/13/21/1019661321.db2.gz MYJNJSIRSZYTJU-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001502077263 1019689221 /nfs/dbraw/zinc/68/92/21/1019689221.db2.gz SATMRUWTXXXVTF-KGLIPLIRSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@H]1C ZINC000665763431 546396591 /nfs/dbraw/zinc/39/65/91/546396591.db2.gz AKCPJLJLRIJHRD-BFHYXJOUSA-N 1 3 300.447 0.423 20 0 DCADHO CN(C)C[C@H]1CCCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000332121216 282133617 /nfs/dbraw/zinc/13/36/17/282133617.db2.gz ICWAEVULTINELT-QWHCGFSZSA-N 1 3 306.414 0.369 20 0 DCADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272736800 210141526 /nfs/dbraw/zinc/14/15/26/210141526.db2.gz KBYXNSAPWZQWAK-CJNGLKHVSA-N 1 3 305.422 0.997 20 0 DCADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272736800 210141528 /nfs/dbraw/zinc/14/15/28/210141528.db2.gz KBYXNSAPWZQWAK-CJNGLKHVSA-N 1 3 305.422 0.997 20 0 DCADHO CCCN(CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000430946289 283103899 /nfs/dbraw/zinc/10/38/99/283103899.db2.gz VOIZALWCVLAIKV-INIZCTEOSA-N 1 3 308.470 0.803 20 0 DCADHO CCCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CC[NH2+]CC1 ZINC000236823385 202026316 /nfs/dbraw/zinc/02/63/16/202026316.db2.gz PLBSFGZGESMANN-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NC1CC1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000449521207 299269068 /nfs/dbraw/zinc/26/90/68/299269068.db2.gz RDEMHVJVLISJKI-GXSJLCMTSA-N 1 3 308.348 0.079 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000566008036 291263922 /nfs/dbraw/zinc/26/39/22/291263922.db2.gz FQDJADZNLANAGR-MELADBBJSA-N 1 3 300.447 0.912 20 0 DCADHO O=C(NCCNc1ccncc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566171871 291276624 /nfs/dbraw/zinc/27/66/24/291276624.db2.gz WXTDSWRLHLMYQA-OAHLLOKOSA-N 1 3 314.393 0.466 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000566776747 291322572 /nfs/dbraw/zinc/32/25/72/291322572.db2.gz FBXHLYZRWDQDAS-MRXNPFEDSA-N 1 3 310.442 0.227 20 0 DCADHO Cc1cc(N2CC[C@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)n(C)n1 ZINC000420326509 240021404 /nfs/dbraw/zinc/02/14/04/240021404.db2.gz CICFWZQTOCRYIJ-ZNMIVQPWSA-N 1 3 317.437 0.765 20 0 DCADHO CCN(CCO)CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422247123 240140539 /nfs/dbraw/zinc/14/05/39/240140539.db2.gz VNKRTYWHYJPCSS-UHFFFAOYSA-N 1 3 300.447 0.473 20 0 DCADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423087613 240193353 /nfs/dbraw/zinc/19/33/53/240193353.db2.gz QALUTDNIFOTQFN-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423087613 240193356 /nfs/dbraw/zinc/19/33/56/240193356.db2.gz QALUTDNIFOTQFN-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1)Cc1ccco1 ZINC000423617385 240225510 /nfs/dbraw/zinc/22/55/10/240225510.db2.gz SXFVAUKCFCSBNN-CYBMUJFWSA-N 1 3 322.409 0.120 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423666769 240235239 /nfs/dbraw/zinc/23/52/39/240235239.db2.gz ISDRNABWFQJYBH-UHFFFAOYSA-N 1 3 320.437 0.384 20 0 DCADHO CCOCC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000567262269 291345883 /nfs/dbraw/zinc/34/58/83/291345883.db2.gz ITSLWMSJSFYMOZ-HRCADAONSA-N 1 3 300.443 0.741 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)CC(F)(F)F)C1 ZINC000567681903 291369141 /nfs/dbraw/zinc/36/91/41/291369141.db2.gz AJIWTCYTLXMZSQ-WDEREUQCSA-N 1 3 311.348 0.477 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)CC(F)(F)F)C1 ZINC000567681903 291369143 /nfs/dbraw/zinc/36/91/43/291369143.db2.gz AJIWTCYTLXMZSQ-WDEREUQCSA-N 1 3 311.348 0.477 20 0 DCADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000569474824 291481466 /nfs/dbraw/zinc/48/14/66/291481466.db2.gz RYQSZIDIGOYEAE-QGZVFWFLSA-N 1 3 307.438 0.531 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C3([NH3+])CCCCC3)C2)nn1 ZINC000570045840 291509162 /nfs/dbraw/zinc/50/91/62/291509162.db2.gz BUKHBTCGZQZSSV-ZDUSSCGKSA-N 1 3 306.414 0.562 20 0 DCADHO CC[C@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC000573325882 291625234 /nfs/dbraw/zinc/62/52/34/291625234.db2.gz WDMFHAMOTIXCCX-DZGCQCFKSA-N 1 3 306.414 0.433 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000339577355 284627656 /nfs/dbraw/zinc/62/76/56/284627656.db2.gz YKOHAVBDJZOALA-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO COCCN1CC[C@@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000297527590 532979442 /nfs/dbraw/zinc/97/94/42/532979442.db2.gz VSWRAEYJYXLHDX-CYBMUJFWSA-N 1 3 324.429 0.287 20 0 DCADHO COCCNCCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000416939921 285079641 /nfs/dbraw/zinc/07/96/41/285079641.db2.gz NVSLKAQYHZLJBM-UHFFFAOYSA-N 1 3 300.447 0.642 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636117 253119368 /nfs/dbraw/zinc/11/93/68/253119368.db2.gz AZWIRPMVEHULRD-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339667627 253123456 /nfs/dbraw/zinc/12/34/56/253123456.db2.gz UYFGFUJJEAOHJR-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339667627 253123459 /nfs/dbraw/zinc/12/34/59/253123459.db2.gz UYFGFUJJEAOHJR-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000339753043 253138227 /nfs/dbraw/zinc/13/82/27/253138227.db2.gz JSOSXMRZMWKESD-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)(C)[C@H](NC/C=C\C[NH2+][C@H](C(N)=O)C(C)(C)C)C(N)=O ZINC000340174038 253211911 /nfs/dbraw/zinc/21/19/11/253211911.db2.gz LPPJRFUQQYBBNE-PKJDGDQJSA-N 1 3 312.458 0.522 20 0 DCADHO CCN1CCN(CCCCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000340197970 253214967 /nfs/dbraw/zinc/21/49/67/253214967.db2.gz XLSFSFBPRURZCQ-INIZCTEOSA-N 1 3 310.486 0.910 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340487624 253265315 /nfs/dbraw/zinc/26/53/15/253265315.db2.gz VGPACJPNNVLGDE-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340487624 253265318 /nfs/dbraw/zinc/26/53/18/253265318.db2.gz VGPACJPNNVLGDE-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000419034790 296384414 /nfs/dbraw/zinc/38/44/14/296384414.db2.gz GIAOTOWPYOJHTL-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO Cn1nnc2cc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)ccc21 ZINC000347022400 254122131 /nfs/dbraw/zinc/12/21/31/254122131.db2.gz ODYGDTZPSOVJBA-ZDUSSCGKSA-N 1 3 316.409 0.255 20 0 DCADHO Cc1ccn2c(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cnc2c1 ZINC000347035211 254123830 /nfs/dbraw/zinc/12/38/30/254123830.db2.gz GDJNWVKLJGVDTH-CQSZACIVSA-N 1 3 315.421 0.930 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348210351 254227389 /nfs/dbraw/zinc/22/73/89/254227389.db2.gz AFTVXVCDUQUOOH-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000350951687 254330850 /nfs/dbraw/zinc/33/08/50/254330850.db2.gz QQHIEOXTYCMVBC-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000351659384 254357465 /nfs/dbraw/zinc/35/74/65/254357465.db2.gz BUEVOOPGTJOZSI-LSDHHAIUSA-N 1 3 313.490 0.652 20 0 DCADHO CC(CCN(C)CC(=O)N(C)C)CC[N@@H+](C)CC(=O)N(C)C ZINC000411154670 262166491 /nfs/dbraw/zinc/16/64/91/262166491.db2.gz LQMQENNDRFTIQJ-UHFFFAOYSA-N 1 3 314.474 0.443 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN1CCCO ZINC000418433770 262278175 /nfs/dbraw/zinc/27/81/75/262278175.db2.gz DHQGJMZDRJEMCC-ZIAGYGMSSA-N 1 3 300.447 0.506 20 0 DCADHO CCN(CCNC(=O)/C=C/C[NH+](C)C)C(=O)/C=C/CN(C)C ZINC000275475815 130324131 /nfs/dbraw/zinc/32/41/31/130324131.db2.gz LAZAUZDHYJGWRP-FIFLTTCUSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)/C=C/CN(C)C)C(=O)/C=C/C[NH+](C)C ZINC000275475815 130324133 /nfs/dbraw/zinc/32/41/33/130324133.db2.gz LAZAUZDHYJGWRP-FIFLTTCUSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)CC2CC[NH2+]CC2)CC1 ZINC000236883988 395900175 /nfs/dbraw/zinc/90/01/75/395900175.db2.gz AKVBJDVCSCXICH-OAHLLOKOSA-N 1 3 310.486 0.766 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237018582 395901013 /nfs/dbraw/zinc/90/10/13/395901013.db2.gz HECIVOVZRBDNEM-WMLDXEAASA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N(C)C1CC1 ZINC000237505386 395913953 /nfs/dbraw/zinc/91/39/53/395913953.db2.gz XZRYVIBBTJMIOA-LLVKDONJSA-N 1 3 306.414 0.415 20 0 DCADHO CC[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000130611283 395923580 /nfs/dbraw/zinc/92/35/80/395923580.db2.gz RZLXYBYWSBHJKT-MRXNPFEDSA-N 1 3 304.438 0.788 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccn(C)c1=O ZINC000120168778 395881246 /nfs/dbraw/zinc/88/12/46/395881246.db2.gz ROMGQSUHMOLWGL-UHFFFAOYSA-N 1 3 309.414 0.342 20 0 DCADHO COCCN(C)c1ccc(C[NH2+]CC2(O)CCN(C)CC2)cn1 ZINC000276984230 396041102 /nfs/dbraw/zinc/04/11/02/396041102.db2.gz UKVABMPXVLTGEJ-UHFFFAOYSA-N 1 3 322.453 0.711 20 0 DCADHO c1nc2cncc(N3CCN(CC4CC[NH2+]CC4)CC3)n2n1 ZINC000261688182 396056345 /nfs/dbraw/zinc/05/63/45/396056345.db2.gz HJENXJXWXUWDNN-UHFFFAOYSA-N 1 3 301.398 0.246 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261810038 396068005 /nfs/dbraw/zinc/06/80/05/396068005.db2.gz RKXGYPQFJIWRDJ-LZWOXQAQSA-N 1 3 318.421 0.039 20 0 DCADHO COC(=O)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261840093 396070892 /nfs/dbraw/zinc/07/08/92/396070892.db2.gz YONDKNSPENAIIW-HNNXBMFYSA-N 1 3 319.405 0.760 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000171196322 396109704 /nfs/dbraw/zinc/10/97/04/396109704.db2.gz XCJOLHMWQQSVKS-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000171196315 396110024 /nfs/dbraw/zinc/11/00/24/396110024.db2.gz XCJOLHMWQQSVKS-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000263265369 396210107 /nfs/dbraw/zinc/21/01/07/396210107.db2.gz UZRDPGFRWINADA-ZBFHGGJFSA-N 1 3 324.469 0.420 20 0 DCADHO COC(=O)CN(C)C(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075860247 396188397 /nfs/dbraw/zinc/18/83/97/396188397.db2.gz WQXCUQAQPQPOKB-AWEZNQCLSA-N 1 3 313.442 0.814 20 0 DCADHO COC(=O)CN(C)C(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075860247 396188399 /nfs/dbraw/zinc/18/83/99/396188399.db2.gz WQXCUQAQPQPOKB-AWEZNQCLSA-N 1 3 313.442 0.814 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000077838469 396235247 /nfs/dbraw/zinc/23/52/47/396235247.db2.gz QUIWGAQEVDASMQ-AWEZNQCLSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000077838469 396235250 /nfs/dbraw/zinc/23/52/50/396235250.db2.gz QUIWGAQEVDASMQ-AWEZNQCLSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)N(C)C ZINC000263940409 396245143 /nfs/dbraw/zinc/24/51/43/396245143.db2.gz AYKKYECOFCFGKQ-CYBMUJFWSA-N 1 3 320.437 0.796 20 0 DCADHO CN(C)CCN1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000182834155 396255260 /nfs/dbraw/zinc/25/52/60/396255260.db2.gz ZNKXNXVEANVDEH-OAHLLOKOSA-N 1 3 317.499 0.427 20 0 DCADHO CO[C@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000190423646 396406338 /nfs/dbraw/zinc/40/63/38/396406338.db2.gz URWFCDSEYNVCKI-CYBMUJFWSA-N 1 3 312.458 0.879 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)NCC[N@H+](C)CCCOC)C1(C)C ZINC000188232273 396380577 /nfs/dbraw/zinc/38/05/77/396380577.db2.gz BEWHVTJDEFDAFA-BBRMVZONSA-N 1 3 315.458 0.603 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)NCC[N@@H+](C)CCCOC)C1(C)C ZINC000188232273 396380579 /nfs/dbraw/zinc/38/05/79/396380579.db2.gz BEWHVTJDEFDAFA-BBRMVZONSA-N 1 3 315.458 0.603 20 0 DCADHO CCN(C)C[C@@H](O)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000514871435 396497885 /nfs/dbraw/zinc/49/78/85/396497885.db2.gz VMAGYFRIVLIJPB-OAHLLOKOSA-N 1 3 301.475 0.589 20 0 DCADHO CCN(C)C[C@@H](O)C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000514871435 396497889 /nfs/dbraw/zinc/49/78/89/396497889.db2.gz VMAGYFRIVLIJPB-OAHLLOKOSA-N 1 3 301.475 0.589 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN(C)CC(C)(C)CN1CCOCC1 ZINC000514871435 396497892 /nfs/dbraw/zinc/49/78/92/396497892.db2.gz VMAGYFRIVLIJPB-OAHLLOKOSA-N 1 3 301.475 0.589 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN(C)CC(C)(C)CN1CCOCC1 ZINC000514871435 396497895 /nfs/dbraw/zinc/49/78/95/396497895.db2.gz VMAGYFRIVLIJPB-OAHLLOKOSA-N 1 3 301.475 0.589 20 0 DCADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000580946191 396513182 /nfs/dbraw/zinc/51/31/82/396513182.db2.gz JYJTUZSCHHYKRR-MGPQQGTHSA-N 1 3 303.410 0.717 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(N(C)C)ccn1 ZINC000531119394 396590010 /nfs/dbraw/zinc/59/00/10/396590010.db2.gz PJELDDPCGDAATF-UHFFFAOYSA-N 1 3 307.442 0.713 20 0 DCADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@H]2CCC[C@@H]21 ZINC000560528320 396619698 /nfs/dbraw/zinc/61/96/98/396619698.db2.gz PSBBOXSYJFKKSM-IPYPFGDCSA-N 1 3 303.410 0.669 20 0 DCADHO C[N@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@H]2CCC[C@@H]21 ZINC000560528320 396619701 /nfs/dbraw/zinc/61/97/01/396619701.db2.gz PSBBOXSYJFKKSM-IPYPFGDCSA-N 1 3 303.410 0.669 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000584770136 396621315 /nfs/dbraw/zinc/62/13/15/396621315.db2.gz MLWGATDCMVSXEG-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000584766046 396621553 /nfs/dbraw/zinc/62/15/53/396621553.db2.gz FEVKTUCDLVCWSQ-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000561256842 396637389 /nfs/dbraw/zinc/63/73/89/396637389.db2.gz SZTOIOKCLFFTJX-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC=C(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000375064318 396708924 /nfs/dbraw/zinc/70/89/24/396708924.db2.gz YIOFIAKPIZQGDA-CABCVRRESA-N 1 3 308.426 0.411 20 0 DCADHO C[N@@H+]1CC=C(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000375064318 396708926 /nfs/dbraw/zinc/70/89/26/396708926.db2.gz YIOFIAKPIZQGDA-CABCVRRESA-N 1 3 308.426 0.411 20 0 DCADHO O=C(CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000563215305 396714731 /nfs/dbraw/zinc/71/47/31/396714731.db2.gz AYWPQNWTKZWZQW-INIZCTEOSA-N 1 3 308.470 0.616 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563627596 396763327 /nfs/dbraw/zinc/76/33/27/396763327.db2.gz GCGWVGCXEKKYDP-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000629515324 396775479 /nfs/dbraw/zinc/77/54/79/396775479.db2.gz ORCAXVFKZSROLY-WBMJQRKESA-N 1 3 319.453 0.839 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000331588730 396872618 /nfs/dbraw/zinc/87/26/18/396872618.db2.gz YDQZSZKFSFQZIR-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000564805008 396872749 /nfs/dbraw/zinc/87/27/49/396872749.db2.gz WVBASAOHFNPTAF-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CCOC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000564852975 396882568 /nfs/dbraw/zinc/88/25/68/396882568.db2.gz WFHVFWJSDWHDOZ-BZUAXINKSA-N 1 3 300.443 0.741 20 0 DCADHO CCOC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000564852975 396882570 /nfs/dbraw/zinc/88/25/70/396882570.db2.gz WFHVFWJSDWHDOZ-BZUAXINKSA-N 1 3 300.443 0.741 20 0 DCADHO CCN1CCN(CCCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000564855349 396884281 /nfs/dbraw/zinc/88/42/81/396884281.db2.gz QOMASDSAWFNRDA-MRXNPFEDSA-N 1 3 309.458 0.251 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000611636699 396898979 /nfs/dbraw/zinc/89/89/79/396898979.db2.gz DTBIJADQCDSJSZ-IHRRRGAJSA-N 1 3 322.453 0.328 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000611636699 396898983 /nfs/dbraw/zinc/89/89/83/396898983.db2.gz DTBIJADQCDSJSZ-IHRRRGAJSA-N 1 3 322.453 0.328 20 0 DCADHO CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000333017379 396915491 /nfs/dbraw/zinc/91/54/91/396915491.db2.gz ZTMHIRAUFPCYAE-OWCLPIDISA-N 1 3 324.469 0.710 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@@H](C)[NH3+] ZINC000571881203 396998107 /nfs/dbraw/zinc/99/81/07/396998107.db2.gz WDMCVPGRABVOAJ-XBFCOCLRSA-N 1 3 308.430 0.520 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000571980590 397007071 /nfs/dbraw/zinc/00/70/71/397007071.db2.gz UKEIYYZLQNPKHZ-CVEARBPZSA-N 1 3 301.475 0.732 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000571980590 397007076 /nfs/dbraw/zinc/00/70/76/397007076.db2.gz UKEIYYZLQNPKHZ-CVEARBPZSA-N 1 3 301.475 0.732 20 0 DCADHO C[C@@H]1CN(CCN2CCCC[C@H]2CNC(=O)CC[NH3+])CCO1 ZINC000572001305 397011109 /nfs/dbraw/zinc/01/11/09/397011109.db2.gz FVBPJQRQMQAUGY-CABCVRRESA-N 1 3 312.458 0.027 20 0 DCADHO CSC1(CNC(=O)N[C@]2(C)CC[NH2+]C2)CCN(C)CC1 ZINC000597433421 396971192 /nfs/dbraw/zinc/97/11/92/396971192.db2.gz MAXZXRGNOHYVGU-CYBMUJFWSA-N 1 3 300.472 0.865 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(CCCS(=O)(=O)NC)C1 ZINC000350254369 397085818 /nfs/dbraw/zinc/08/58/18/397085818.db2.gz PBMRESHZFRRKON-AWEZNQCLSA-N 1 3 321.487 0.358 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000612546256 397089834 /nfs/dbraw/zinc/08/98/34/397089834.db2.gz QXIJFBCGFIYMPK-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000612546256 397089837 /nfs/dbraw/zinc/08/98/37/397089837.db2.gz QXIJFBCGFIYMPK-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000592139014 397103045 /nfs/dbraw/zinc/10/30/45/397103045.db2.gz XOIACPDOCXSRJJ-CYBMUJFWSA-N 1 3 311.426 0.376 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](N)c3ccccc3)C2)CC1 ZINC000377198224 397046991 /nfs/dbraw/zinc/04/69/91/397046991.db2.gz OPYNYGNIFHWDBX-RDJZCZTQSA-N 1 3 316.449 0.971 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](N)c3ccccc3)C2)CC1 ZINC000377198224 397046995 /nfs/dbraw/zinc/04/69/95/397046995.db2.gz OPYNYGNIFHWDBX-RDJZCZTQSA-N 1 3 316.449 0.971 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](N)c3ccccc3)C2)CC1 ZINC000377198224 397047001 /nfs/dbraw/zinc/04/70/01/397047001.db2.gz OPYNYGNIFHWDBX-RDJZCZTQSA-N 1 3 316.449 0.971 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000572380295 397054434 /nfs/dbraw/zinc/05/44/34/397054434.db2.gz RFRRBYSNJFLXEH-SOUVJXGZSA-N 1 3 310.442 0.348 20 0 DCADHO CN1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)[C@@H](CN)C1 ZINC000572466382 397060724 /nfs/dbraw/zinc/06/07/24/397060724.db2.gz DOTCBCQYNRMFKM-INIZCTEOSA-N 1 3 302.422 0.090 20 0 DCADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000573235889 397147764 /nfs/dbraw/zinc/14/77/64/397147764.db2.gz ZLPVNLKSASMJBD-GFCCVEGCSA-N 1 3 300.366 0.157 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC000573322020 397157220 /nfs/dbraw/zinc/15/72/20/397157220.db2.gz HISWBTUQTXNGGO-HNNXBMFYSA-N 1 3 308.470 0.742 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972739 397166438 /nfs/dbraw/zinc/16/64/38/397166438.db2.gz AJJUOHSCJOHCTG-HUUCEWRRSA-N 1 3 324.469 0.881 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC2(CNC(=O)C2)CC1 ZINC000573444488 397167733 /nfs/dbraw/zinc/16/77/33/397167733.db2.gz DCTGPNVGQAFVSG-HOTGVXAUSA-N 1 3 317.433 0.519 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000573444488 397167740 /nfs/dbraw/zinc/16/77/40/397167740.db2.gz DCTGPNVGQAFVSG-HOTGVXAUSA-N 1 3 317.433 0.519 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@H]1CC12CC[NH2+]CC2 ZINC000612981466 397170992 /nfs/dbraw/zinc/17/09/92/397170992.db2.gz BITAHTOXECNVMU-KGLIPLIRSA-N 1 3 310.442 0.275 20 0 DCADHO CN(c1ccccc1CNC[C@@H](O)CO)C1CC[NH+](C)CC1 ZINC000364050551 397176396 /nfs/dbraw/zinc/17/63/96/397176396.db2.gz KDKRNIPCTUQASL-MRXNPFEDSA-N 1 3 307.438 0.660 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000592862508 397268361 /nfs/dbraw/zinc/26/83/61/397268361.db2.gz JSHMBGXAUWFMTA-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000592862508 397268363 /nfs/dbraw/zinc/26/83/63/397268363.db2.gz JSHMBGXAUWFMTA-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC[N@@H+](C2CCC2)C1 ZINC000574504755 397272863 /nfs/dbraw/zinc/27/28/63/397272863.db2.gz NJOJWPHAHGWGDF-HIFRSBDPSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC[N@H+](C2CCC2)C1 ZINC000574504755 397272866 /nfs/dbraw/zinc/27/28/66/397272866.db2.gz NJOJWPHAHGWGDF-HIFRSBDPSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000574771289 397298192 /nfs/dbraw/zinc/29/81/92/397298192.db2.gz RNYVATPQYPABKT-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000578067771 397384980 /nfs/dbraw/zinc/38/49/80/397384980.db2.gz AIKLTTNJVRBDTA-BFHYXJOUSA-N 1 3 300.447 0.504 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419034108 397378323 /nfs/dbraw/zinc/37/83/23/397378323.db2.gz ZJNSDLDOEPQLNE-QWHCGFSZSA-N 1 3 312.458 0.324 20 0 DCADHO CN(CCN)C(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419802509 397383811 /nfs/dbraw/zinc/38/38/11/397383811.db2.gz BSMBUIBMCZTYHV-UHFFFAOYSA-N 1 3 324.469 0.709 20 0 DCADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC000459706438 397433411 /nfs/dbraw/zinc/43/34/11/397433411.db2.gz NIVSXSUTLZNQGL-SJLPKXTDSA-N 1 3 319.449 0.614 20 0 DCADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC000459706438 397433415 /nfs/dbraw/zinc/43/34/15/397433415.db2.gz NIVSXSUTLZNQGL-SJLPKXTDSA-N 1 3 319.449 0.614 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370142456 397447721 /nfs/dbraw/zinc/44/77/21/397447721.db2.gz MKSJKKWTRXQQOO-QGZVFWFLSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000370142456 397447725 /nfs/dbraw/zinc/44/77/25/397447725.db2.gz MKSJKKWTRXQQOO-QGZVFWFLSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(C(=O)CC[N@H+]2CC[C@H](CN3CCCCC3)C2)CC1 ZINC000370142456 397447729 /nfs/dbraw/zinc/44/77/29/397447729.db2.gz MKSJKKWTRXQQOO-QGZVFWFLSA-N 1 3 322.497 0.958 20 0 DCADHO C[C@@H](NC(=O)NCCOCCN(C)C)C(C)(C)C[NH+](C)C ZINC000471647038 397450041 /nfs/dbraw/zinc/45/00/41/397450041.db2.gz NWZXBRLPFOSPIX-CYBMUJFWSA-N 1 3 302.463 0.840 20 0 DCADHO CN1CCC[C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H]1c1cccs1 ZINC000479281334 397459623 /nfs/dbraw/zinc/45/96/23/397459623.db2.gz MPYWOYRDRMYVRI-RGCMKSIDSA-N 1 3 323.462 0.970 20 0 DCADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CN2CCN1CCC2 ZINC000370474946 397491186 /nfs/dbraw/zinc/49/11/86/397491186.db2.gz DMSZONCWTYANFZ-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(C2CCCCC2)CC1 ZINC000371308831 397571977 /nfs/dbraw/zinc/57/19/77/397571977.db2.gz SIRTYQSXVYWTKF-QGZVFWFLSA-N 1 3 320.481 0.853 20 0 DCADHO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCN(C2CCCCC2)CC1 ZINC000371308831 397571980 /nfs/dbraw/zinc/57/19/80/397571980.db2.gz SIRTYQSXVYWTKF-QGZVFWFLSA-N 1 3 320.481 0.853 20 0 DCADHO CC[NH2+]CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000579091309 397520836 /nfs/dbraw/zinc/52/08/36/397520836.db2.gz PVVLNRDMLJAMJI-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CC(=O)N(C)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000579124379 397526947 /nfs/dbraw/zinc/52/69/47/397526947.db2.gz PVAFMLXMJZEXHE-ROUUACIJSA-N 1 3 319.449 0.860 20 0 DCADHO CC1CC[NH+](CC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000136297567 158342541 /nfs/dbraw/zinc/34/25/41/158342541.db2.gz IRYOGGRMOGOSLV-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000138612253 158346168 /nfs/dbraw/zinc/34/61/68/158346168.db2.gz MNGYKUPWUHQPGC-CABCVRRESA-N 1 3 312.458 0.690 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000138612253 158346171 /nfs/dbraw/zinc/34/61/71/158346171.db2.gz MNGYKUPWUHQPGC-CABCVRRESA-N 1 3 312.458 0.690 20 0 DCADHO CCN(C)CCNC(=O)C1(C(=O)NCC[N@H+](C)CC)CCC1 ZINC000137530709 158346441 /nfs/dbraw/zinc/34/64/41/158346441.db2.gz YXLLTTRLZVELJI-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCN(C)CCNC(=O)C1(C(=O)NCC[N@@H+](C)CC)CCC1 ZINC000137530709 158346446 /nfs/dbraw/zinc/34/64/46/158346446.db2.gz YXLLTTRLZVELJI-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000316702255 159002342 /nfs/dbraw/zinc/00/23/42/159002342.db2.gz IWNCTTMCIUZULK-JYJNAYRXSA-N 1 3 303.406 0.536 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000316702255 159002346 /nfs/dbraw/zinc/00/23/46/159002346.db2.gz IWNCTTMCIUZULK-JYJNAYRXSA-N 1 3 303.406 0.536 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)C1CC1 ZINC000359284819 159262274 /nfs/dbraw/zinc/26/22/74/159262274.db2.gz HVBBOXQRYZXLIB-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@H+](CCCC1CCN([C@@H](C)C(N)=O)CC1)[C@H](C)C(N)=O ZINC000245747669 287073063 /nfs/dbraw/zinc/07/30/63/287073063.db2.gz NGRYVHAQAIJHNZ-OLZOCXBDSA-N 1 3 312.458 0.548 20 0 DCADHO CC[N@@H+](CCCC1CCN([C@@H](C)C(N)=O)CC1)[C@H](C)C(N)=O ZINC000245747669 287073065 /nfs/dbraw/zinc/07/30/65/287073065.db2.gz NGRYVHAQAIJHNZ-OLZOCXBDSA-N 1 3 312.458 0.548 20 0 DCADHO C[C@@H](NC(=O)N(CC[NH3+])CCO)[C@H](c1ccccc1)N(C)C ZINC000418185611 287241984 /nfs/dbraw/zinc/24/19/84/287241984.db2.gz RALKHNYDJKDDHB-UKRRQHHQSA-N 1 3 308.426 0.640 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])N(C)Cc1ccccc1 ZINC000418944532 287255708 /nfs/dbraw/zinc/25/57/08/287255708.db2.gz KFWDBDYRZWZQSU-ZIAGYGMSSA-N 1 3 320.437 0.429 20 0 DCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419227768 287276189 /nfs/dbraw/zinc/27/61/89/287276189.db2.gz KXUOGPCBGZXCEC-CABCVRRESA-N 1 3 322.453 0.174 20 0 DCADHO CCCCNC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341005 287292335 /nfs/dbraw/zinc/29/23/35/287292335.db2.gz NJJDBIBNPUUVCE-UONOGXRCSA-N 1 3 310.442 0.934 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H]1C ZINC000331590902 415143647 /nfs/dbraw/zinc/14/36/47/415143647.db2.gz YJYUEZRSYAWGQG-RBSFLKMASA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H]1C ZINC000331590902 415143655 /nfs/dbraw/zinc/14/36/55/415143655.db2.gz YJYUEZRSYAWGQG-RBSFLKMASA-N 1 3 312.458 0.879 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000331608817 415149344 /nfs/dbraw/zinc/14/93/44/415149344.db2.gz OUCXJGYQWYSTFM-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000331608817 415149349 /nfs/dbraw/zinc/14/93/49/415149349.db2.gz OUCXJGYQWYSTFM-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000332099928 415241971 /nfs/dbraw/zinc/24/19/71/415241971.db2.gz QZLHBCIIYXJAPG-RRFJBIMHSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)Cc1cnc(CNCC2CC[NH+](CCO)CC2)s1 ZINC000352752443 415302574 /nfs/dbraw/zinc/30/25/74/415302574.db2.gz AHHNNESPNVPUNF-UHFFFAOYSA-N 1 3 312.483 0.999 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343103648 415452658 /nfs/dbraw/zinc/45/26/58/415452658.db2.gz DIBHRDTYZJHEOG-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343103648 415452665 /nfs/dbraw/zinc/45/26/65/415452665.db2.gz DIBHRDTYZJHEOG-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)C(C)(C)C[NH+](C)C ZINC000343287936 415533546 /nfs/dbraw/zinc/53/35/46/415533546.db2.gz PMTANRKAPLZQAB-GFCCVEGCSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000343295156 415543095 /nfs/dbraw/zinc/54/30/95/415543095.db2.gz CEHRYCNHEYQQAM-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000343295156 415543105 /nfs/dbraw/zinc/54/31/05/415543105.db2.gz CEHRYCNHEYQQAM-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CCSC1 ZINC000333128772 415564371 /nfs/dbraw/zinc/56/43/71/415564371.db2.gz BMJIBWLXHFKWLV-JSGCOSHPSA-N 1 3 316.471 0.101 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000353518262 415574457 /nfs/dbraw/zinc/57/44/57/415574457.db2.gz NLSLQIOAXJHMCP-JYJNAYRXSA-N 1 3 310.486 0.764 20 0 DCADHO Cc1n[nH]cc1CNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353619465 415605135 /nfs/dbraw/zinc/60/51/35/415605135.db2.gz CBPPEHMULIEGAQ-UHFFFAOYSA-N 1 3 307.442 0.604 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1COc2ccccc2O1 ZINC000103211700 415612301 /nfs/dbraw/zinc/61/23/01/415612301.db2.gz PJMNRCFRJVFZHZ-MRXNPFEDSA-N 1 3 321.421 0.778 20 0 DCADHO CCN1CC[C@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000353753071 415646581 /nfs/dbraw/zinc/64/65/81/415646581.db2.gz UZWRBZQBDIRWDW-OCCSQVGLSA-N 1 3 308.426 0.389 20 0 DCADHO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000353753071 415646586 /nfs/dbraw/zinc/64/65/86/415646586.db2.gz UZWRBZQBDIRWDW-OCCSQVGLSA-N 1 3 308.426 0.389 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000333543946 415678311 /nfs/dbraw/zinc/67/83/11/415678311.db2.gz IICQAKHYLPCKAA-KBPBESRZSA-N 1 3 306.414 0.112 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](n3ccnn3)C2)C1 ZINC000333543946 415678316 /nfs/dbraw/zinc/67/83/16/415678316.db2.gz IICQAKHYLPCKAA-KBPBESRZSA-N 1 3 306.414 0.112 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCNC2=O)[C@@H](C)C1 ZINC000343689139 415686795 /nfs/dbraw/zinc/68/67/95/415686795.db2.gz LLNCNUNZOFXBHD-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCNC2=O)[C@@H](C)C1 ZINC000343689139 415686799 /nfs/dbraw/zinc/68/67/99/415686799.db2.gz LLNCNUNZOFXBHD-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CCN(C2CC2)C1 ZINC000333720492 415723937 /nfs/dbraw/zinc/72/39/37/415723937.db2.gz UNPBKMXAMKKPQW-DZGCQCFKSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H](CCNC(=O)N1CCOC2(CNC2)C1)[NH+]1CCCCC1 ZINC000333649095 415705840 /nfs/dbraw/zinc/70/58/40/415705840.db2.gz VNOBMZPJBFEEHY-AWEZNQCLSA-N 1 3 310.442 0.635 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)N1CCN(C2CCCC2)CC1 ZINC000333799863 415743971 /nfs/dbraw/zinc/74/39/71/415743971.db2.gz HOGQIFYEQZYMNB-UHFFFAOYSA-N 1 3 309.458 0.161 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000120290776 415762984 /nfs/dbraw/zinc/76/29/84/415762984.db2.gz HYBIIGLZSPJASB-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000120290776 415762988 /nfs/dbraw/zinc/76/29/88/415762988.db2.gz HYBIIGLZSPJASB-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO C[C@H]1C[N@H+](CCN2CCCC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000343922842 415781800 /nfs/dbraw/zinc/78/18/00/415781800.db2.gz LAHADIHCHHTREB-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000343922842 415781805 /nfs/dbraw/zinc/78/18/05/415781805.db2.gz LAHADIHCHHTREB-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343921949 415782889 /nfs/dbraw/zinc/78/28/89/415782889.db2.gz JMLGXEFRTZPWNG-ZACQAIPSSA-N 1 3 321.469 0.202 20 0 DCADHO O[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000344026990 415822422 /nfs/dbraw/zinc/82/24/22/415822422.db2.gz KJIZKVAOHFVONU-PSQZEIEWSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2C[N@H+](C/C=C/CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000344026990 415822430 /nfs/dbraw/zinc/82/24/30/415822430.db2.gz KJIZKVAOHFVONU-PSQZEIEWSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2CN(C/C=C/C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000344026990 415822434 /nfs/dbraw/zinc/82/24/34/415822434.db2.gz KJIZKVAOHFVONU-PSQZEIEWSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2CN(C/C=C/C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000344026990 415822443 /nfs/dbraw/zinc/82/24/43/415822443.db2.gz KJIZKVAOHFVONU-PSQZEIEWSA-N 1 3 306.450 0.948 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000337209269 415928486 /nfs/dbraw/zinc/92/84/86/415928486.db2.gz APCRGWGSKWSCEW-INIZCTEOSA-N 1 3 310.486 0.990 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000337209269 415928491 /nfs/dbraw/zinc/92/84/91/415928491.db2.gz APCRGWGSKWSCEW-INIZCTEOSA-N 1 3 310.486 0.990 20 0 DCADHO CCN1C[C@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000344237907 415872344 /nfs/dbraw/zinc/87/23/44/415872344.db2.gz HVKPGRZMVSJZMQ-HOCLYGCPSA-N 1 3 310.486 0.859 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000126203750 415873892 /nfs/dbraw/zinc/87/38/92/415873892.db2.gz APVRCMKENNLYFD-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000126203750 415873896 /nfs/dbraw/zinc/87/38/96/415873896.db2.gz APVRCMKENNLYFD-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)CC[C@@H]21 ZINC000344426566 415912849 /nfs/dbraw/zinc/91/28/49/415912849.db2.gz NLEADBBWQBTUOR-PMPSAXMXSA-N 1 3 306.454 0.319 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)CC[C@@H]21 ZINC000344426566 415912855 /nfs/dbraw/zinc/91/28/55/415912855.db2.gz NLEADBBWQBTUOR-PMPSAXMXSA-N 1 3 306.454 0.319 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CCN1C ZINC000344639529 415964178 /nfs/dbraw/zinc/96/41/78/415964178.db2.gz PQEJUKAWBMKAJP-ZBFHGGJFSA-N 1 3 318.469 0.801 20 0 DCADHO C[C@@H](Cn1cccn1)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000345210067 416061727 /nfs/dbraw/zinc/06/17/27/416061727.db2.gz MEZUOAGURKQXOP-INIZCTEOSA-N 1 3 309.458 0.251 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)C[C@@H]1CNCCO1 ZINC000166178751 416021206 /nfs/dbraw/zinc/02/12/06/416021206.db2.gz ZQQNUVCOGPZMCF-OAHLLOKOSA-N 1 3 321.421 0.622 20 0 DCADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)CC1 ZINC000345010999 416026726 /nfs/dbraw/zinc/02/67/26/416026726.db2.gz HAUXHMPNYMQKNT-IRXDYDNUSA-N 1 3 320.481 0.567 20 0 DCADHO Cc1ccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000314494738 416112666 /nfs/dbraw/zinc/11/26/66/416112666.db2.gz RZPXONRIAPANNL-INIZCTEOSA-N 1 3 305.422 0.771 20 0 DCADHO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](N)CC(F)F)CC1 ZINC000345830496 416156232 /nfs/dbraw/zinc/15/62/32/416156232.db2.gz XMPYMCXIHGRNTB-NSHDSACASA-N 1 3 307.385 0.975 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC[C@@H](C)[NH3+])CC1=O ZINC000178626730 416168331 /nfs/dbraw/zinc/16/83/31/416168331.db2.gz ZVJFBYHYJCHMEU-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)C1(C(=O)N[C@@H](C)C[NH+](C)C)CCC1 ZINC000346223801 416190872 /nfs/dbraw/zinc/19/08/72/416190872.db2.gz NDRDIBGLFYURPO-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)[C@@H](C)C1 ZINC000358227362 416214807 /nfs/dbraw/zinc/21/48/07/416214807.db2.gz DWDPWLJVGMXRDU-ULQDDVLXSA-N 1 3 313.486 0.780 20 0 DCADHO CC(C)N1CCC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358503200 416244261 /nfs/dbraw/zinc/24/42/61/416244261.db2.gz XLVKMRUIBBCWST-ZACQAIPSSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)N1CCC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358503200 416244264 /nfs/dbraw/zinc/24/42/64/416244264.db2.gz XLVKMRUIBBCWST-ZACQAIPSSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)Cn2cccn2)CC1 ZINC000358577066 416257047 /nfs/dbraw/zinc/25/70/47/416257047.db2.gz HRTRIIHEXCKHIH-CQSZACIVSA-N 1 3 307.442 0.850 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000358666597 416264484 /nfs/dbraw/zinc/26/44/84/416264484.db2.gz UGUAZGXUKPCTGY-INIZCTEOSA-N 1 3 312.458 0.661 20 0 DCADHO C[N@H+](CCO)C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000331466337 416317693 /nfs/dbraw/zinc/31/76/93/416317693.db2.gz HPQAZPFPQVJKII-CYBMUJFWSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@@H+](CCO)C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000331466337 416317694 /nfs/dbraw/zinc/31/76/94/416317694.db2.gz HPQAZPFPQVJKII-CYBMUJFWSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359338167 416342405 /nfs/dbraw/zinc/34/24/05/416342405.db2.gz ATAQLYCWTDNECK-CQSZACIVSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000359906456 416365198 /nfs/dbraw/zinc/36/51/98/416365198.db2.gz VMDNPFKUKBHLLQ-ZFWWWQNUSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000359906456 416365200 /nfs/dbraw/zinc/36/52/00/416365200.db2.gz VMDNPFKUKBHLLQ-ZFWWWQNUSA-N 1 3 312.458 0.879 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000419972965 416415782 /nfs/dbraw/zinc/41/57/82/416415782.db2.gz FOLPQMJIJDPZTI-AWEZNQCLSA-N 1 3 312.458 0.465 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000360184602 416377649 /nfs/dbraw/zinc/37/76/49/416377649.db2.gz LQLUMHJNUJCDBQ-CQSZACIVSA-N 1 3 324.469 0.601 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000360184602 416377651 /nfs/dbraw/zinc/37/76/51/416377651.db2.gz LQLUMHJNUJCDBQ-CQSZACIVSA-N 1 3 324.469 0.601 20 0 DCADHO C[C@H](CCC[NH3+])NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418117765 416385178 /nfs/dbraw/zinc/38/51/78/416385178.db2.gz SDWNYCMZTDUDLC-ZIAGYGMSSA-N 1 3 300.447 0.914 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCCCC1 ZINC000418836444 416391995 /nfs/dbraw/zinc/39/19/95/416391995.db2.gz PUOCPTQEGVRAHP-UHFFFAOYSA-N 1 3 322.453 0.403 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360673448 416402544 /nfs/dbraw/zinc/40/25/44/416402544.db2.gz AZAFDZABZFFHJN-AWEZNQCLSA-N 1 3 318.487 0.301 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419689856 416405137 /nfs/dbraw/zinc/40/51/37/416405137.db2.gz CMFRNVUPAJCCCC-GJZGRUSLSA-N 1 3 324.469 0.467 20 0 DCADHO CC1(C)CC(NC(=O)C(=O)N[C@H](CN)C2CC2)CC(C)(C)[NH2+]1 ZINC000419717101 416405305 /nfs/dbraw/zinc/40/53/05/416405305.db2.gz AKYWGZJDFRWJIQ-GFCCVEGCSA-N 1 3 310.442 0.265 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[C@@H]1[NH3+] ZINC000419769118 416410264 /nfs/dbraw/zinc/41/02/64/416410264.db2.gz DATYDUIAVJHIBF-RDBSUJKOSA-N 1 3 324.469 0.419 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419778407 416410748 /nfs/dbraw/zinc/41/07/48/416410748.db2.gz OSTOXNHFVYWEIE-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419785752 416411406 /nfs/dbraw/zinc/41/14/06/416411406.db2.gz ZKQPXNRKJRMTKJ-MCIONIFRSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423219929 416478677 /nfs/dbraw/zinc/47/86/77/416478677.db2.gz WYAGOZBYVFIGOL-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423201552 416479086 /nfs/dbraw/zinc/47/90/86/416479086.db2.gz IWFKTYREWINLHU-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423201552 416479089 /nfs/dbraw/zinc/47/90/89/416479089.db2.gz IWFKTYREWINLHU-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CN1C1CC1 ZINC000422410454 416429942 /nfs/dbraw/zinc/42/99/42/416429942.db2.gz GDNCYOKVTWVIJE-IPYPFGDCSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CN1C1CC1 ZINC000422410454 416429943 /nfs/dbraw/zinc/42/99/43/416429943.db2.gz GDNCYOKVTWVIJE-IPYPFGDCSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@H+](C)C1CC1 ZINC000458280519 416446912 /nfs/dbraw/zinc/44/69/12/416446912.db2.gz CYWBYLLBEBELFH-UONOGXRCSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@@H+](C)C1CC1 ZINC000458280519 416446919 /nfs/dbraw/zinc/44/69/19/416446919.db2.gz CYWBYLLBEBELFH-UONOGXRCSA-N 1 3 312.458 0.615 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000458245767 416448360 /nfs/dbraw/zinc/44/83/60/416448360.db2.gz VISONAXKLJKCEO-LSDHHAIUSA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000458245767 416448365 /nfs/dbraw/zinc/44/83/65/416448365.db2.gz VISONAXKLJKCEO-LSDHHAIUSA-N 1 3 314.474 0.863 20 0 DCADHO CN1CCNC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423526947 416521376 /nfs/dbraw/zinc/52/13/76/416521376.db2.gz VIYJRKGFGOTFRE-HFTRVMKXSA-N 1 3 316.449 0.736 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535716867 416524884 /nfs/dbraw/zinc/52/48/84/416524884.db2.gz RCDJIASZGRWZMG-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535716867 416524886 /nfs/dbraw/zinc/52/48/86/416524886.db2.gz RCDJIASZGRWZMG-QGZVFWFLSA-N 1 3 322.497 0.955 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000423737090 416553819 /nfs/dbraw/zinc/55/38/19/416553819.db2.gz DKUIOFZUPXTVOA-RYUDHWBXSA-N 1 3 322.375 0.505 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000423737090 416553824 /nfs/dbraw/zinc/55/38/24/416553824.db2.gz DKUIOFZUPXTVOA-RYUDHWBXSA-N 1 3 322.375 0.505 20 0 DCADHO COC[C@]1(C(=O)NCc2cccc(CN(C)C)c2)CC[NH2+]C1 ZINC000423338462 416495235 /nfs/dbraw/zinc/49/52/35/416495235.db2.gz ZFNOVYXKXAJTQE-KRWDZBQOSA-N 1 3 305.422 0.991 20 0 DCADHO CO[C@@H](CN)C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000584233249 416509635 /nfs/dbraw/zinc/50/96/35/416509635.db2.gz QJWAGMHPRUQKKY-NWDGAFQWSA-N 1 3 324.450 0.588 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)CN1CCN(C)CC1 ZINC000423427738 416510092 /nfs/dbraw/zinc/51/00/92/416510092.db2.gz JOYHENYXJHKWDV-GJZGRUSLSA-N 1 3 310.486 0.764 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000584338713 416512233 /nfs/dbraw/zinc/51/22/33/416512233.db2.gz QMGFRVOIHNCNOV-CYBMUJFWSA-N 1 3 318.421 0.945 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000364852498 416594521 /nfs/dbraw/zinc/59/45/21/416594521.db2.gz VKUXURMDPUVNSD-CVEARBPZSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)N1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438702989 416602407 /nfs/dbraw/zinc/60/24/07/416602407.db2.gz UJDXCNYAQVAXPG-UHFFFAOYSA-N 1 3 322.457 1.393 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C[C@H](N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424224247 416630284 /nfs/dbraw/zinc/63/02/84/416630284.db2.gz JNWQVRDWRDPQLU-HRCADAONSA-N 1 3 313.405 0.763 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424444968 416644862 /nfs/dbraw/zinc/64/48/62/416644862.db2.gz DTOVIAVTFOZJTH-HNNXBMFYSA-N 1 3 318.421 0.993 20 0 DCADHO C[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[NH+]1CCC(C)CC1 ZINC000545177899 416664800 /nfs/dbraw/zinc/66/48/00/416664800.db2.gz LWTRIXBWJJHXLZ-GDBMZVCRSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000442759058 416712137 /nfs/dbraw/zinc/71/21/37/416712137.db2.gz JZFBSODKDQQYFT-DTWKUNHWSA-N 1 3 310.320 0.434 20 0 DCADHO C[NH+]1CCC(N2CCC(Nc3cc(C(N)=O)ncn3)CC2)CC1 ZINC000641323074 416782549 /nfs/dbraw/zinc/78/25/49/416782549.db2.gz IWWGPJOKJZYWSY-UHFFFAOYSA-N 1 3 318.425 0.546 20 0 DCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CCCN1CCCC1 ZINC000631936755 416815525 /nfs/dbraw/zinc/81/55/25/416815525.db2.gz LHUHWQBSFAJXAU-STQMWFEESA-N 1 3 307.435 0.434 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631940289 416817568 /nfs/dbraw/zinc/81/75/68/416817568.db2.gz SIOMKBZMMPITEA-GJZGRUSLSA-N 1 3 317.499 0.980 20 0 DCADHO C[C@H]1CCN(S(=O)(=O)CCCN2CCCC2)C[C@@H]1C[NH3+] ZINC000631943986 416820246 /nfs/dbraw/zinc/82/02/46/416820246.db2.gz KTSMMCDNDBFNND-KBPBESRZSA-N 1 3 303.472 0.719 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C1CC1 ZINC000518550850 416862829 /nfs/dbraw/zinc/86/28/29/416862829.db2.gz QPLFWADMNZUBOC-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000632057721 416888781 /nfs/dbraw/zinc/88/87/81/416888781.db2.gz NEHUEFMZEUUZHB-HNNXBMFYSA-N 1 3 317.499 0.932 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000632057721 416888786 /nfs/dbraw/zinc/88/87/86/416888786.db2.gz NEHUEFMZEUUZHB-HNNXBMFYSA-N 1 3 317.499 0.932 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000370692878 416898941 /nfs/dbraw/zinc/89/89/41/416898941.db2.gz VQFJLISRFUBHRH-CQSZACIVSA-N 1 3 322.457 1.393 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000632145088 416927198 /nfs/dbraw/zinc/92/71/98/416927198.db2.gz VJKPXTCYXBLGJL-OAHLLOKOSA-N 1 3 317.499 0.932 20 0 DCADHO CN1CCN(CCCCNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000519710252 416930650 /nfs/dbraw/zinc/93/06/50/416930650.db2.gz KQNZBBZCLYFWEB-CQSZACIVSA-N 1 3 314.499 0.225 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000447819622 417033536 /nfs/dbraw/zinc/03/35/36/417033536.db2.gz BIGSOSXHIGBSAW-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000447439036 417001411 /nfs/dbraw/zinc/00/14/11/417001411.db2.gz HASSDIREBLLKST-INIZCTEOSA-N 1 3 321.421 0.946 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)[C@@H](C)C1 ZINC000624335509 417009781 /nfs/dbraw/zinc/00/97/81/417009781.db2.gz UBULBFFZSBKUIJ-YESZJQIVSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CC[C@H](O)C2)[C@@H](C)C1 ZINC000624335509 417009788 /nfs/dbraw/zinc/00/97/88/417009788.db2.gz UBULBFFZSBKUIJ-YESZJQIVSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CC[C@H](O)C2)[C@@H](C)C1 ZINC000624335509 417009796 /nfs/dbraw/zinc/00/97/96/417009796.db2.gz UBULBFFZSBKUIJ-YESZJQIVSA-N 1 3 313.486 0.780 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC[NH2+]C2CC2)c1 ZINC000642780483 417096283 /nfs/dbraw/zinc/09/62/83/417096283.db2.gz AOGDTHQQDIAHJK-UHFFFAOYSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NC[C@H](C)[NH3+])c1ccccc1 ZINC000642784428 417096896 /nfs/dbraw/zinc/09/68/96/417096896.db2.gz UXSMDBFPIILLRM-QWHCGFSZSA-N 1 3 320.437 0.695 20 0 DCADHO CC1(C)CN(CCOCC[N@@H+]2C[C@H](O)C(C)(C)C2)C[C@@H]1O ZINC000447874973 417036435 /nfs/dbraw/zinc/03/64/35/417036435.db2.gz NSVHSGXVZOYMGH-KBPBESRZSA-N 1 3 300.443 0.408 20 0 DCADHO CC1(C)CN(CCOCC[N@H+]2C[C@H](O)C(C)(C)C2)C[C@@H]1O ZINC000447874973 417036443 /nfs/dbraw/zinc/03/64/43/417036443.db2.gz NSVHSGXVZOYMGH-KBPBESRZSA-N 1 3 300.443 0.408 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642329758 417044865 /nfs/dbraw/zinc/04/48/65/417044865.db2.gz DKVSZZADIYYHTA-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632366936 417049204 /nfs/dbraw/zinc/04/92/04/417049204.db2.gz CFUMHCCSQHOBJG-ZIAGYGMSSA-N 1 3 303.472 0.827 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000642439378 417053513 /nfs/dbraw/zinc/05/35/13/417053513.db2.gz DCKBUXCMBQAUKU-SOUVJXGZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642439648 417053774 /nfs/dbraw/zinc/05/37/74/417053774.db2.gz MVCHWGVVBJHDKN-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000642440139 417055669 /nfs/dbraw/zinc/05/56/69/417055669.db2.gz XAODGKQSVVFLOY-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCC(C)CC1 ZINC000642644512 417066915 /nfs/dbraw/zinc/06/69/15/417066915.db2.gz VPZHNEUBSATVHQ-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN(CC)C2CC2)CC[C@@H]1[NH3+] ZINC000642756028 417089345 /nfs/dbraw/zinc/08/93/45/417089345.db2.gz GMYAZWJDHDECGA-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642903872 417114658 /nfs/dbraw/zinc/11/46/58/417114658.db2.gz OLGCQFISAWLFLA-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000642906292 417116840 /nfs/dbraw/zinc/11/68/40/417116840.db2.gz FXAYZBRVXQQPEJ-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO Cc1c([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC000524903961 417121769 /nfs/dbraw/zinc/12/17/69/417121769.db2.gz LXJODKUIHDSBIL-ZDUSSCGKSA-N 1 3 324.473 0.924 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1=O ZINC000430726835 287351091 /nfs/dbraw/zinc/35/10/91/287351091.db2.gz WZEVVGWMCLMBHN-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCCCN(C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449333649 417138837 /nfs/dbraw/zinc/13/88/37/417138837.db2.gz BVOBHPHJLUGICX-CYBMUJFWSA-N 1 3 308.430 0.492 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000632579671 417177412 /nfs/dbraw/zinc/17/74/12/417177412.db2.gz YNQUWMGUVIWZIT-HNNXBMFYSA-N 1 3 317.499 0.980 20 0 DCADHO CN(C)CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000632579671 417177421 /nfs/dbraw/zinc/17/74/21/417177421.db2.gz YNQUWMGUVIWZIT-HNNXBMFYSA-N 1 3 317.499 0.980 20 0 DCADHO [NH3+]C[C@@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CCCOC1 ZINC000637822468 417198918 /nfs/dbraw/zinc/19/89/18/417198918.db2.gz AYYOUVPPLBXNFZ-INIZCTEOSA-N 1 3 319.409 0.185 20 0 DCADHO C[C@H](NC(=O)[C@H](N)CN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000637822025 417200009 /nfs/dbraw/zinc/20/00/09/417200009.db2.gz XPHBGUNNRMMTKO-BHYGNILZSA-N 1 3 318.465 0.950 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000637834208 417202863 /nfs/dbraw/zinc/20/28/63/417202863.db2.gz AKBFCZMCHXNGEW-JKSUJKDBSA-N 1 3 304.438 0.514 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000637847841 417205206 /nfs/dbraw/zinc/20/52/06/417205206.db2.gz KYMIBRBLJCFFAR-ZIAGYGMSSA-N 1 3 301.431 0.167 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000637843499 417206743 /nfs/dbraw/zinc/20/67/43/417206743.db2.gz AIOKMYLGAMIKEV-BMFZPTHFSA-N 1 3 304.438 0.641 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643505649 417230305 /nfs/dbraw/zinc/23/03/05/417230305.db2.gz NLURXNCOXUEPEX-RHSMWYFYSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643482899 417222527 /nfs/dbraw/zinc/22/25/27/417222527.db2.gz TWEMWESJMZVEPN-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643500441 417228194 /nfs/dbraw/zinc/22/81/94/417228194.db2.gz WCGYKWQSGUDMER-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC[C@H]1C(F)(F)F ZINC000627102547 417230791 /nfs/dbraw/zinc/23/07/91/417230791.db2.gz ODWOEXFGFRAYSA-OUAUKWLOSA-N 1 3 324.347 0.144 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000449703763 417166625 /nfs/dbraw/zinc/16/66/25/417166625.db2.gz XEFWFHRAJAXGPL-OAHLLOKOSA-N 1 3 324.469 0.041 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCCN(C)CC2)CCCO1 ZINC000433453629 417271890 /nfs/dbraw/zinc/27/18/90/417271890.db2.gz BQRYEZTVBUTORG-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCN(C)CC2)CCCO1 ZINC000433453629 417271893 /nfs/dbraw/zinc/27/18/93/417271893.db2.gz BQRYEZTVBUTORG-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000621107806 417276195 /nfs/dbraw/zinc/27/61/95/417276195.db2.gz MTNYSRVAGPRWPX-IRXDYDNUSA-N 1 3 320.481 0.615 20 0 DCADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000621107806 417276205 /nfs/dbraw/zinc/27/62/05/417276205.db2.gz MTNYSRVAGPRWPX-IRXDYDNUSA-N 1 3 320.481 0.615 20 0 DCADHO COC[C@@]1(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)CCCN1 ZINC000632869927 417282548 /nfs/dbraw/zinc/28/25/48/417282548.db2.gz SKEWBAQTCWEUMI-SUMWQHHRSA-N 1 3 303.406 0.919 20 0 DCADHO Cn1cccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414483107 417282725 /nfs/dbraw/zinc/28/27/25/417282725.db2.gz MORMEUILIZEYNC-UHFFFAOYSA-N 1 3 306.454 0.911 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150715 417235061 /nfs/dbraw/zinc/23/50/61/417235061.db2.gz GPRGQJIRMKHDNK-CJNGLKHVSA-N 1 3 308.470 0.789 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000643592600 417251345 /nfs/dbraw/zinc/25/13/45/417251345.db2.gz CNUYWVGFQWBBGQ-UMVBOHGHSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000643592600 417251349 /nfs/dbraw/zinc/25/13/49/417251349.db2.gz CNUYWVGFQWBBGQ-UMVBOHGHSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCCC[C@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000414681611 417296232 /nfs/dbraw/zinc/29/62/32/417296232.db2.gz WDCKXUDHOBCHFR-RDBSUJKOSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433390060 417264249 /nfs/dbraw/zinc/26/42/49/417264249.db2.gz ZDEGEEPVXTXVBE-ZIAGYGMSSA-N 1 3 320.441 0.664 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000638145249 417354164 /nfs/dbraw/zinc/35/41/64/417354164.db2.gz KEDYIQBSITZKOG-UONOGXRCSA-N 1 3 301.431 0.167 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)Nc2cnc3c(c2)CNCC3)cn1 ZINC000638151933 417356273 /nfs/dbraw/zinc/35/62/73/417356273.db2.gz CHQZUJVTAFLKEG-UHFFFAOYSA-N 1 3 314.393 0.738 20 0 DCADHO CN(C)CCn1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000638166094 417359335 /nfs/dbraw/zinc/35/93/35/417359335.db2.gz UUVNFNFKLQWXOC-AEGPPILISA-N 1 3 305.426 0.644 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415298272 417360137 /nfs/dbraw/zinc/36/01/37/417360137.db2.gz LFDRVHCHLDQIHF-CQSZACIVSA-N 1 3 318.421 0.550 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638159528 417360274 /nfs/dbraw/zinc/36/02/74/417360274.db2.gz XUOCALZWJIVMFW-IMJJTQAJSA-N 1 3 304.438 0.641 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CC[NH2+]CC1)Cc1ccccc1 ZINC000638051262 417297854 /nfs/dbraw/zinc/29/78/54/417297854.db2.gz ZQXRYGBZNNVPJI-MRXNPFEDSA-N 1 3 304.438 0.181 20 0 DCADHO CC(=O)N[C@@H]1CCN(CCCC[N@@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000570158318 417316600 /nfs/dbraw/zinc/31/66/00/417316600.db2.gz ORWNMTSIMSRKIO-HZPDHXFCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(=O)N[C@@H]1CCN(CCCC[N@H+]2CC[C@@H](NC(C)=O)C2)C1 ZINC000570158318 417316609 /nfs/dbraw/zinc/31/66/09/417316609.db2.gz ORWNMTSIMSRKIO-HZPDHXFCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000627301318 417337588 /nfs/dbraw/zinc/33/75/88/417337588.db2.gz BLRLMCUHTWVGHG-BBRMVZONSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000415209514 417344453 /nfs/dbraw/zinc/34/44/53/417344453.db2.gz GXUJKXOIQMRDLJ-CYBMUJFWSA-N 1 3 310.446 1.282 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000627310797 417346132 /nfs/dbraw/zinc/34/61/32/417346132.db2.gz COPYTVBFSQJAPS-UHFFFAOYSA-N 1 3 320.437 0.562 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000627310797 417346139 /nfs/dbraw/zinc/34/61/39/417346139.db2.gz COPYTVBFSQJAPS-UHFFFAOYSA-N 1 3 320.437 0.562 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000570710194 417383417 /nfs/dbraw/zinc/38/34/17/417383417.db2.gz MNUHSWGJTVZGMI-UQOMUDLDSA-N 1 3 320.441 0.374 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cn1 ZINC000638265153 417394806 /nfs/dbraw/zinc/39/48/06/417394806.db2.gz BTBMSWVPDWDEDI-JTQLQIEISA-N 1 3 307.320 0.454 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000638270555 417397472 /nfs/dbraw/zinc/39/74/72/417397472.db2.gz ZIRBZSQGNLTDQP-JYJNAYRXSA-N 1 3 304.438 0.689 20 0 DCADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000415323135 417364438 /nfs/dbraw/zinc/36/44/38/417364438.db2.gz GHIFXCPBZHVJOL-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622027311 417371095 /nfs/dbraw/zinc/37/10/95/417371095.db2.gz AFMRWNPQVQCDIE-WVZRYYJFSA-N 1 3 322.453 0.125 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638201377 417372931 /nfs/dbraw/zinc/37/29/31/417372931.db2.gz MLTNETOJXGPPGF-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638213617 417376624 /nfs/dbraw/zinc/37/66/24/417376624.db2.gz GSCKWNRICPLWDJ-OWCLPIDISA-N 1 3 302.422 0.124 20 0 DCADHO CO[C@H](CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCOC1 ZINC000638571649 417491045 /nfs/dbraw/zinc/49/10/45/417491045.db2.gz OCARPOCAZRQGNY-SOUVJXGZSA-N 1 3 313.442 0.215 20 0 DCADHO CO[C@H](CNCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCOC1 ZINC000638571649 417491058 /nfs/dbraw/zinc/49/10/58/417491058.db2.gz OCARPOCAZRQGNY-SOUVJXGZSA-N 1 3 313.442 0.215 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529307142 417434296 /nfs/dbraw/zinc/43/42/96/417434296.db2.gz QKAGIGLXMYNYFQ-KBPBESRZSA-N 1 3 310.442 0.681 20 0 DCADHO [NH3+]CCCn1cc(C(=O)NCc2ccc3c(c2)CNC3)nn1 ZINC000644111811 417474191 /nfs/dbraw/zinc/47/41/91/417474191.db2.gz XZAKKBKIASCSAX-UHFFFAOYSA-N 1 3 300.366 0.160 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638512627 417479925 /nfs/dbraw/zinc/47/99/25/417479925.db2.gz JFDWXGZAOHICKT-AWEZNQCLSA-N 1 3 313.442 0.372 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638527739 417481854 /nfs/dbraw/zinc/48/18/54/417481854.db2.gz XLLGBHCAGWYBIS-AWEZNQCLSA-N 1 3 322.409 0.280 20 0 DCADHO CN(CCOCC[NH3+])C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000638675180 417530335 /nfs/dbraw/zinc/53/03/35/417530335.db2.gz CQPYZROBIDQBGO-INIZCTEOSA-N 1 3 320.437 0.727 20 0 DCADHO CN(C)C[C@H](CO)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634723040 417537043 /nfs/dbraw/zinc/53/70/43/417537043.db2.gz ZEIMOUCGHGVMKP-IAGOWNOFSA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)C[C@H](CO)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634723040 417537048 /nfs/dbraw/zinc/53/70/48/417537048.db2.gz ZEIMOUCGHGVMKP-IAGOWNOFSA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)C[C@H](CO)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634723040 417537053 /nfs/dbraw/zinc/53/70/53/417537053.db2.gz ZEIMOUCGHGVMKP-IAGOWNOFSA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCNC(=O)CC2)ccn1 ZINC000634973483 417552836 /nfs/dbraw/zinc/55/28/36/417552836.db2.gz CGGBHXNKMSAXED-AWEZNQCLSA-N 1 3 306.410 0.780 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NCCN1CCC(OC)CC1 ZINC000638653536 417526594 /nfs/dbraw/zinc/52/65/94/417526594.db2.gz LWVJOGZNOPQOAZ-ZDUSSCGKSA-N 1 3 300.447 0.914 20 0 DCADHO [NH3+]CCCOCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000638660679 417528950 /nfs/dbraw/zinc/52/89/50/417528950.db2.gz HWFQXRQREGNEBH-UHFFFAOYSA-N 1 3 313.442 0.503 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638983468 417596702 /nfs/dbraw/zinc/59/67/02/417596702.db2.gz AMMNJJIKHADEIX-CJNGLKHVSA-N 1 3 301.394 0.429 20 0 DCADHO CN1C[C@H](NC[C@H](O)C[N@H+](C)Cc2ccccc2)CCC1=O ZINC000644571509 417621534 /nfs/dbraw/zinc/62/15/34/417621534.db2.gz AVABBGNHMIJDKQ-CVEARBPZSA-N 1 3 305.422 0.690 20 0 DCADHO CN1C[C@H](NC[C@H](O)C[N@@H+](C)Cc2ccccc2)CCC1=O ZINC000644571509 417621539 /nfs/dbraw/zinc/62/15/39/417621539.db2.gz AVABBGNHMIJDKQ-CVEARBPZSA-N 1 3 305.422 0.690 20 0 DCADHO C[NH+](C)CC[C@H](NC[C@@H](O)CN1CCOCC1)C(C)(C)C ZINC000644569879 417622079 /nfs/dbraw/zinc/62/20/79/417622079.db2.gz KWGRBQWTGTXESD-CABCVRRESA-N 1 3 301.475 0.636 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000531578770 417628880 /nfs/dbraw/zinc/62/88/80/417628880.db2.gz HGEUBFZVGCHJMN-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)(O)C[NH+]1CCC(N[C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000639147597 417629095 /nfs/dbraw/zinc/62/90/95/417629095.db2.gz NEJZYIOQPFAAKD-HUUCEWRRSA-N 1 3 316.486 0.969 20 0 DCADHO Cc1cc(NC(=O)CCNCCC[N@@H+]2CCCO[C@H](C)C2)no1 ZINC000644632294 417634267 /nfs/dbraw/zinc/63/42/67/417634267.db2.gz SWHAQVAZLAYZKP-CQSZACIVSA-N 1 3 324.425 1.402 20 0 DCADHO Cc1cc(NC(=O)CCNCCC[N@H+]2CCCO[C@H](C)C2)no1 ZINC000644632294 417634274 /nfs/dbraw/zinc/63/42/74/417634274.db2.gz SWHAQVAZLAYZKP-CQSZACIVSA-N 1 3 324.425 1.402 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC000635544165 417694855 /nfs/dbraw/zinc/69/48/55/417694855.db2.gz DWULBOKBXOTZRP-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000531836876 417645145 /nfs/dbraw/zinc/64/51/45/417645145.db2.gz TUOTWOMQLOKBTE-HZPDHXFCSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000531836876 417645148 /nfs/dbraw/zinc/64/51/48/417645148.db2.gz TUOTWOMQLOKBTE-HZPDHXFCSA-N 1 3 308.470 0.565 20 0 DCADHO CN1CCC(O)(C[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531976671 417652038 /nfs/dbraw/zinc/65/20/38/417652038.db2.gz JQGGTDXHRYDXQV-UHFFFAOYSA-N 1 3 305.426 0.492 20 0 DCADHO C[C@H](CC(=O)Nc1nc(N2CCNCC2)n[nH]1)C1CC[NH2+]CC1 ZINC000580429404 417701293 /nfs/dbraw/zinc/70/12/93/417701293.db2.gz CJDQPRMVXQUWLN-LLVKDONJSA-N 1 3 321.429 0.179 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CC(N)=O)CC2)CC1 ZINC000577121224 417666693 /nfs/dbraw/zinc/66/66/93/417666693.db2.gz AXMSLSQBAAUINR-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458100644 417721524 /nfs/dbraw/zinc/72/15/24/417721524.db2.gz VFXWHBMDYCNRMH-ZIAGYGMSSA-N 1 3 300.447 0.473 20 0 DCADHO CC(C)CN(C)CCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000651865776 417802642 /nfs/dbraw/zinc/80/26/42/417802642.db2.gz HLPRDJDHXHEWNL-UHFFFAOYSA-N 1 3 305.488 0.978 20 0 DCADHO CC(C)C[N@H+](C)CCCNC1CCN(S(C)(=O)=O)CC1 ZINC000651865776 417802645 /nfs/dbraw/zinc/80/26/45/417802645.db2.gz HLPRDJDHXHEWNL-UHFFFAOYSA-N 1 3 305.488 0.978 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC1CCN(S(C)(=O)=O)CC1 ZINC000651865776 417802649 /nfs/dbraw/zinc/80/26/49/417802649.db2.gz HLPRDJDHXHEWNL-UHFFFAOYSA-N 1 3 305.488 0.978 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@@H](C)CN2CCCCC2)C[C@H]1C[NH3+] ZINC000652128327 417848871 /nfs/dbraw/zinc/84/88/71/417848871.db2.gz WWAORPFMJCXZSB-RRFJBIMHSA-N 1 3 312.458 0.866 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000662679743 417849592 /nfs/dbraw/zinc/84/95/92/417849592.db2.gz CEBOILOMPXDOKY-SJORKVTESA-N 1 3 317.433 0.915 20 0 DCADHO C[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[NH+]1CCCCCC1 ZINC000646461325 417852405 /nfs/dbraw/zinc/85/24/05/417852405.db2.gz UIRFMBWMRQSVJQ-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCN(CC2CN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000646460752 417853854 /nfs/dbraw/zinc/85/38/54/417853854.db2.gz KSIKUKLYJJCERO-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCN(CC2CN(C(=O)CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000646460752 417853858 /nfs/dbraw/zinc/85/38/58/417853858.db2.gz KSIKUKLYJJCERO-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662704693 417861020 /nfs/dbraw/zinc/86/10/20/417861020.db2.gz KLXNIXFYDOYVGP-ZDUSSCGKSA-N 1 3 322.453 0.352 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662704693 417861026 /nfs/dbraw/zinc/86/10/26/417861026.db2.gz KLXNIXFYDOYVGP-ZDUSSCGKSA-N 1 3 322.453 0.352 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662704692 417861371 /nfs/dbraw/zinc/86/13/71/417861371.db2.gz KLXNIXFYDOYVGP-CYBMUJFWSA-N 1 3 322.453 0.352 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662704692 417861374 /nfs/dbraw/zinc/86/13/74/417861374.db2.gz KLXNIXFYDOYVGP-CYBMUJFWSA-N 1 3 322.453 0.352 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662747570 417885007 /nfs/dbraw/zinc/88/50/07/417885007.db2.gz ZHUMNMLVDKXEAL-LBPRGKRZSA-N 1 3 306.414 0.274 20 0 DCADHO CNCc1cccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000646626354 417885284 /nfs/dbraw/zinc/88/52/84/417885284.db2.gz MCRSUBUZCAWQAZ-CQSZACIVSA-N 1 3 304.394 0.603 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662756020 417891887 /nfs/dbraw/zinc/89/18/87/417891887.db2.gz GXIGTKMWXRLHFN-GJZGRUSLSA-N 1 3 310.486 0.764 20 0 DCADHO COC[C@@]1(CNC(=O)c2cccc3c2CCNC3)CCC[NH2+]1 ZINC000662777481 417900622 /nfs/dbraw/zinc/90/06/22/417900622.db2.gz BZBAOUQXVDJJQN-KRWDZBQOSA-N 1 3 303.406 0.831 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000646002834 417845296 /nfs/dbraw/zinc/84/52/96/417845296.db2.gz HAYRUWHRQMWBOK-JYJNAYRXSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000631679333 417919106 /nfs/dbraw/zinc/91/91/06/417919106.db2.gz WTBWTWKZUYCPSQ-UHFFFAOYSA-N 1 3 312.439 0.485 20 0 DCADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859490 417928418 /nfs/dbraw/zinc/92/84/18/417928418.db2.gz NKTIBUMTOKGPLQ-CVEARBPZSA-N 1 3 305.422 0.853 20 0 DCADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859490 417928426 /nfs/dbraw/zinc/92/84/26/417928426.db2.gz NKTIBUMTOKGPLQ-CVEARBPZSA-N 1 3 305.422 0.853 20 0 DCADHO C[C@@H](C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000662858634 417928439 /nfs/dbraw/zinc/92/84/39/417928439.db2.gz HAWIPMKTUAPVHZ-DVOMOZLQSA-N 1 3 305.422 0.853 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860489 417929933 /nfs/dbraw/zinc/92/99/33/417929933.db2.gz SCBWQHCGAZYOFF-CZUORRHYSA-N 1 3 305.422 0.725 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@H](CC[NH3+])C(F)F)cn1 ZINC000652612236 417932236 /nfs/dbraw/zinc/93/22/36/417932236.db2.gz MJXWVEUSXCTFEU-SNVBAGLBSA-N 1 3 304.345 0.549 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)CCN1C ZINC000652671593 417941052 /nfs/dbraw/zinc/94/10/52/417941052.db2.gz IKQUPMMLAPPNKN-OCCSQVGLSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)NCCN1CC[C@@H](O)C1)c1ccccc1 ZINC000636456125 417949569 /nfs/dbraw/zinc/94/95/69/417949569.db2.gz RBRWPRPDTGBKAL-HZPDHXFCSA-N 1 3 320.437 0.655 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000652710609 417952818 /nfs/dbraw/zinc/95/28/18/417952818.db2.gz VYUCNJKHBDCLTL-ZIAGYGMSSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000662929551 417955349 /nfs/dbraw/zinc/95/53/49/417955349.db2.gz HFHCSNADOCJPLQ-AWEZNQCLSA-N 1 3 324.469 0.659 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@@H]1[NH3+] ZINC000652731457 417958471 /nfs/dbraw/zinc/95/84/71/417958471.db2.gz LFXFDMHAJJZPCS-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000652732727 417959352 /nfs/dbraw/zinc/95/93/52/417959352.db2.gz ROLLBKIBKODCMJ-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732587 417959729 /nfs/dbraw/zinc/95/97/29/417959729.db2.gz OKIBWAORRIARDK-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732852 417960156 /nfs/dbraw/zinc/96/01/56/417960156.db2.gz UOXYRTKOXBLWKN-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO C[NH+](C)CC[C@H](N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000653107949 418027857 /nfs/dbraw/zinc/02/78/57/418027857.db2.gz CZWCBUZKIMRDPG-INIZCTEOSA-N 1 3 310.486 0.990 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC(=O)N(C)C ZINC000663705146 418049397 /nfs/dbraw/zinc/04/93/97/418049397.db2.gz XWTUBARBBGOCBR-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC(=O)N(C)C ZINC000663705146 418049401 /nfs/dbraw/zinc/04/94/01/418049401.db2.gz XWTUBARBBGOCBR-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653124973 418034121 /nfs/dbraw/zinc/03/41/21/418034121.db2.gz NVCUEQNUZGYDQP-PVAVHDDUSA-N 1 3 322.497 0.907 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653124919 418034128 /nfs/dbraw/zinc/03/41/28/418034128.db2.gz MCEXZEPJIFNXRJ-KBMXLJTQSA-N 1 3 308.470 0.659 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659530866 418112753 /nfs/dbraw/zinc/11/27/53/418112753.db2.gz MQFVYFNRJUHYGZ-IUODEOHRSA-N 1 3 306.410 0.400 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659539702 418113824 /nfs/dbraw/zinc/11/38/24/418113824.db2.gz QUNROGXYBWMKHG-BPLDGKMQSA-N 1 3 310.442 0.537 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000653952311 418119394 /nfs/dbraw/zinc/11/93/94/418119394.db2.gz IIXLVGZXFOVNBE-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000653952311 418119398 /nfs/dbraw/zinc/11/93/98/418119398.db2.gz IIXLVGZXFOVNBE-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659089536 418057615 /nfs/dbraw/zinc/05/76/15/418057615.db2.gz FYDKSUPCEJUBOD-UHFFFAOYSA-N 1 3 320.437 0.925 20 0 DCADHO Cc1nnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000663826534 418059450 /nfs/dbraw/zinc/05/94/50/418059450.db2.gz UGZMJRVDKSDLNL-NSHDSACASA-N 1 3 312.418 0.449 20 0 DCADHO Cc1nnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000663826534 418059453 /nfs/dbraw/zinc/05/94/53/418059453.db2.gz UGZMJRVDKSDLNL-NSHDSACASA-N 1 3 312.418 0.449 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000653404974 418069855 /nfs/dbraw/zinc/06/98/55/418069855.db2.gz RBJHIILRFMSVPW-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659561444 418118648 /nfs/dbraw/zinc/11/86/48/418118648.db2.gz KWPJWJWMLOXLHL-MRXNPFEDSA-N 1 3 324.469 0.929 20 0 DCADHO COC[C@]1(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[NH2+]C1 ZINC000659364116 418086345 /nfs/dbraw/zinc/08/63/45/418086345.db2.gz HQCMSXPOKWAGIK-RDJZCZTQSA-N 1 3 319.405 0.912 20 0 DCADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H]1CNc2ccnn2C1 ZINC000648036586 418090628 /nfs/dbraw/zinc/09/06/28/418090628.db2.gz PMJWQEDHLTYNGL-HNNXBMFYSA-N 1 3 308.474 0.740 20 0 DCADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H]1CNc2ccnn2C1 ZINC000648036586 418090631 /nfs/dbraw/zinc/09/06/31/418090631.db2.gz PMJWQEDHLTYNGL-HNNXBMFYSA-N 1 3 308.474 0.740 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1CCOC1 ZINC000664224939 418100253 /nfs/dbraw/zinc/10/02/53/418100253.db2.gz UXGYTDWCLBVDSZ-RRFJBIMHSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1CCOC1 ZINC000664224939 418100254 /nfs/dbraw/zinc/10/02/54/418100254.db2.gz UXGYTDWCLBVDSZ-RRFJBIMHSA-N 1 3 314.474 0.983 20 0 DCADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659494113 418104778 /nfs/dbraw/zinc/10/47/78/418104778.db2.gz OQJCXTNIUMLFMC-LLVKDONJSA-N 1 3 324.429 0.561 20 0 DCADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659494113 418104781 /nfs/dbraw/zinc/10/47/81/418104781.db2.gz OQJCXTNIUMLFMC-LLVKDONJSA-N 1 3 324.429 0.561 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2([NH3+])CCCCC2)n1 ZINC000659507174 418106850 /nfs/dbraw/zinc/10/68/50/418106850.db2.gz FLYAPLJIYGUSMB-UHFFFAOYSA-N 1 3 308.386 0.102 20 0 DCADHO O=C(CN1CCCCC[C@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000653782011 418108011 /nfs/dbraw/zinc/10/80/11/418108011.db2.gz NMRKVCDQXMBCHC-INIZCTEOSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH3+])CCCC1 ZINC000659573965 418121336 /nfs/dbraw/zinc/12/13/36/418121336.db2.gz WEYIBTIMPGGJOB-AWEZNQCLSA-N 1 3 311.474 0.583 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CCC)C2)C1 ZINC000664425083 418124547 /nfs/dbraw/zinc/12/45/47/418124547.db2.gz GGLLDKXELAICGX-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000664425083 418124549 /nfs/dbraw/zinc/12/45/49/418124549.db2.gz GGLLDKXELAICGX-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659609064 418125492 /nfs/dbraw/zinc/12/54/92/418125492.db2.gz RTPVWOOGYFGVMP-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617838 418128575 /nfs/dbraw/zinc/12/85/75/418128575.db2.gz JJBOAHBPPYEWMF-NPCAHTBFSA-N 1 3 310.442 0.491 20 0 DCADHO CN1CCN(C(=O)NCC2CC[NH+](CC3CC3)CC2)[C@@H](CN)C1 ZINC000659640730 418134780 /nfs/dbraw/zinc/13/47/80/418134780.db2.gz IQVOOKFAAIIGSF-INIZCTEOSA-N 1 3 323.485 0.393 20 0 DCADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380932 418137546 /nfs/dbraw/zinc/13/75/46/418137546.db2.gz HGMMSFLCJIEJET-QLFBSQMISA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000654388941 418139519 /nfs/dbraw/zinc/13/95/19/418139519.db2.gz ZFGKVEZMOCMNEO-SOUVJXGZSA-N 1 3 310.442 0.179 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659680276 418144320 /nfs/dbraw/zinc/14/43/20/418144320.db2.gz DMIKBJIARMXFHE-WIJYIZELSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659680786 418144575 /nfs/dbraw/zinc/14/45/75/418144575.db2.gz KZHVFGQHBACBCS-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659695455 418149976 /nfs/dbraw/zinc/14/99/76/418149976.db2.gz XVPYOTLEHRNXEL-PAPYEOQZSA-N 1 3 322.453 0.171 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659697403 418150552 /nfs/dbraw/zinc/15/05/52/418150552.db2.gz GCJALGZZYVZRJZ-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](CN)C1 ZINC000659711302 418156922 /nfs/dbraw/zinc/15/69/22/418156922.db2.gz ZERBZTGMCJDLRK-BARDWOONSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](CN)C1 ZINC000659711302 418156925 /nfs/dbraw/zinc/15/69/25/418156925.db2.gz ZERBZTGMCJDLRK-BARDWOONSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000659713388 418158133 /nfs/dbraw/zinc/15/81/33/418158133.db2.gz IRPHJBRPUZWRNI-NFOMZHRRSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000659712629 418158570 /nfs/dbraw/zinc/15/85/70/418158570.db2.gz MFYYYKCTALPDIS-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654551541 418160042 /nfs/dbraw/zinc/16/00/42/418160042.db2.gz PCQYXIJYRDSOLW-SSHXOBKSSA-N 1 3 322.453 0.464 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC[NH2+]1 ZINC000659723491 418163267 /nfs/dbraw/zinc/16/32/67/418163267.db2.gz RHPDZAIZMMLWKT-AGIUHOORSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC[N@@H+]1C ZINC000648845644 418165377 /nfs/dbraw/zinc/16/53/77/418165377.db2.gz LFPKJLOWPAPJAQ-QBPKDAKJSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC[N@H+]1C ZINC000648845644 418165379 /nfs/dbraw/zinc/16/53/79/418165379.db2.gz LFPKJLOWPAPJAQ-QBPKDAKJSA-N 1 3 322.497 0.811 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659735606 418169268 /nfs/dbraw/zinc/16/92/68/418169268.db2.gz UHBYGXCMGHIGLO-LBPRGKRZSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCC[C@@H](C)C1 ZINC000659734955 418169364 /nfs/dbraw/zinc/16/93/64/418169364.db2.gz WNGUVPJNPBHSIY-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C[NH2+]C)CC2)C1 ZINC000659738668 418170626 /nfs/dbraw/zinc/17/06/26/418170626.db2.gz IBLFSQLPYTWLGO-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000654663277 418173861 /nfs/dbraw/zinc/17/38/61/418173861.db2.gz LXXNOZWTXYXHFY-KFWWJZLASA-N 1 3 312.458 0.473 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000649372773 418248134 /nfs/dbraw/zinc/24/81/34/418248134.db2.gz GVGXLDUKIGFYNU-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665362496 418201296 /nfs/dbraw/zinc/20/12/96/418201296.db2.gz FPBXTWPMJPQBJB-SWLSCSKDSA-N 1 3 300.447 0.471 20 0 DCADHO Cc1cc(C)n(CCN2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000649417196 418253486 /nfs/dbraw/zinc/25/34/86/418253486.db2.gz AIBHUWWPDIORCZ-HNNXBMFYSA-N 1 3 307.442 0.819 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@@H](F)C[C@H]2C[NH2+]C)CC1 ZINC000649417326 418253531 /nfs/dbraw/zinc/25/35/31/418253531.db2.gz ABIZEGMUOHCPCR-JSGCOSHPSA-N 1 3 300.422 0.219 20 0 DCADHO CN1CCN(CC[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1(C)C ZINC000655764188 418291006 /nfs/dbraw/zinc/29/10/06/418291006.db2.gz XFFZDNGEXFKXSZ-KRWDZBQOSA-N 1 3 324.513 0.855 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655961399 418307907 /nfs/dbraw/zinc/30/79/07/418307907.db2.gz QHDWRSBQMARSQZ-CABCVRRESA-N 1 3 309.458 0.208 20 0 DCADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655965351 418308348 /nfs/dbraw/zinc/30/83/48/418308348.db2.gz CJIONPYSYPLLTG-JKSUJKDBSA-N 1 3 316.405 0.250 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656021596 418318743 /nfs/dbraw/zinc/31/87/43/418318743.db2.gz CDUQYCSRXJJBTQ-GJZGRUSLSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656029229 418321499 /nfs/dbraw/zinc/32/14/99/418321499.db2.gz WYIWXPIVDSTWFL-KBUPBQIOSA-N 1 3 322.453 0.315 20 0 DCADHO CS(=O)(=O)N1CCC(NCc2ccc(C[NH3+])cc2F)CC1 ZINC000650717860 418321838 /nfs/dbraw/zinc/32/18/38/418321838.db2.gz OUAFCLZWUNXHRP-UHFFFAOYSA-N 1 3 315.414 0.798 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CN2CCN1CCC2 ZINC000655353909 418255600 /nfs/dbraw/zinc/25/56/00/418255600.db2.gz XKHYDNNWPQYYOO-BZUAXINKSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CN2CCN1CCC2 ZINC000655353909 418255602 /nfs/dbraw/zinc/25/56/02/418255602.db2.gz XKHYDNNWPQYYOO-BZUAXINKSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655416248 418260971 /nfs/dbraw/zinc/26/09/71/418260971.db2.gz MUUYVKKXRMPQAV-RHSMWYFYSA-N 1 3 315.421 0.819 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449614 418263535 /nfs/dbraw/zinc/26/35/35/418263535.db2.gz LLVZXARALXUKLV-WMZOPIPTSA-N 1 3 322.497 0.910 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000655577641 418277871 /nfs/dbraw/zinc/27/78/71/418277871.db2.gz YDXGEWPQLBNQRW-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000655577641 418277874 /nfs/dbraw/zinc/27/78/74/418277874.db2.gz YDXGEWPQLBNQRW-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@@H]3CC[NH2+][C@@H](C)C3)C[C@H]21 ZINC000656791963 418376496 /nfs/dbraw/zinc/37/64/96/418376496.db2.gz MVHOEMGZJLTTCT-VJTDZRGJSA-N 1 3 302.440 0.118 20 0 DCADHO NC(=O)CCN(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248479 418392775 /nfs/dbraw/zinc/39/27/75/418392775.db2.gz CVSPSKQXGDUTNY-OAHLLOKOSA-N 1 3 303.406 0.885 20 0 DCADHO Cn1c(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cc(=O)n(C)c1=O ZINC000662298279 418399092 /nfs/dbraw/zinc/39/90/92/418399092.db2.gz VCQLEEGRUYETPA-AWEZNQCLSA-N 1 3 320.437 0.296 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000187356404 261124035 /nfs/dbraw/zinc/12/40/35/261124035.db2.gz QXMXKWKZLKBVSE-CYBMUJFWSA-N 1 3 302.463 0.576 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000192842287 261139799 /nfs/dbraw/zinc/13/97/99/261139799.db2.gz FLUVUXSJXXZCFD-JKSUJKDBSA-N 1 3 301.475 0.466 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000192842287 261139801 /nfs/dbraw/zinc/13/98/01/261139801.db2.gz FLUVUXSJXXZCFD-JKSUJKDBSA-N 1 3 301.475 0.466 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354693351 261260939 /nfs/dbraw/zinc/26/09/39/261260939.db2.gz YJDLLOWZOBTTLJ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354693351 261260941 /nfs/dbraw/zinc/26/09/41/261260941.db2.gz YJDLLOWZOBTTLJ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000362987890 262092510 /nfs/dbraw/zinc/09/25/10/262092510.db2.gz WAKWCQBMVCRLIN-UKRRQHHQSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000362987890 262092511 /nfs/dbraw/zinc/09/25/11/262092511.db2.gz WAKWCQBMVCRLIN-UKRRQHHQSA-N 1 3 320.437 0.836 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N(C)C ZINC000363220496 262106118 /nfs/dbraw/zinc/10/61/18/262106118.db2.gz DGSUIDSAJYOSLK-CVEARBPZSA-N 1 3 310.486 0.811 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N(C)C ZINC000363220496 262106116 /nfs/dbraw/zinc/10/61/16/262106116.db2.gz DGSUIDSAJYOSLK-CVEARBPZSA-N 1 3 310.486 0.811 20 0 DCADHO CC(CCN(C)CC(=O)N(C)C)CC[N@H+](C)CC(=O)N(C)C ZINC000411154670 262166490 /nfs/dbraw/zinc/16/64/90/262166490.db2.gz LQMQENNDRFTIQJ-UHFFFAOYSA-N 1 3 314.474 0.443 20 0 DCADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416850222 262241508 /nfs/dbraw/zinc/24/15/08/262241508.db2.gz ZFERPKMDSXBIEE-MRXNPFEDSA-N 1 3 320.437 0.796 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NC1CCN(CCOC)CC1 ZINC000417300509 262249455 /nfs/dbraw/zinc/24/94/55/262249455.db2.gz UHOVIPMHJQVMHO-AWEZNQCLSA-N 1 3 300.447 0.914 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417362478 262250519 /nfs/dbraw/zinc/25/05/19/262250519.db2.gz LGZRITDYKFAFQR-AWEZNQCLSA-N 1 3 306.410 0.870 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417362479 262250563 /nfs/dbraw/zinc/25/05/63/262250563.db2.gz LGZRITDYKFAFQR-CQSZACIVSA-N 1 3 306.410 0.870 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000417545287 262254886 /nfs/dbraw/zinc/25/48/86/262254886.db2.gz IVPUEQOJRMUHRB-CYBMUJFWSA-N 1 3 312.458 0.927 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000417759384 262260723 /nfs/dbraw/zinc/26/07/23/262260723.db2.gz WIUJGUMWZXDEQL-CQSZACIVSA-N 1 3 313.490 0.687 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCSC1 ZINC000417827023 262263085 /nfs/dbraw/zinc/26/30/85/262263085.db2.gz NOPLYLTVZJOAKY-IPYPFGDCSA-N 1 3 312.483 0.675 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]([NH3+])C2CC2)ccn1 ZINC000417957278 262266406 /nfs/dbraw/zinc/26/64/06/262266406.db2.gz UJUQJFZTXSNJTH-AWEZNQCLSA-N 1 3 321.425 0.559 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000418062165 262268995 /nfs/dbraw/zinc/26/89/95/262268995.db2.gz FICFDTCJPGOEKE-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418075623 262269314 /nfs/dbraw/zinc/26/93/14/262269314.db2.gz ZOGPWWWJKQJGHV-JKSUJKDBSA-N 1 3 320.437 0.619 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418069667 262269326 /nfs/dbraw/zinc/26/93/26/262269326.db2.gz QASHYHRVRRTNBR-HNNXBMFYSA-N 1 3 312.458 0.596 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418160385 262271810 /nfs/dbraw/zinc/27/18/10/262271810.db2.gz DKGDJSHODVDSBA-AWEZNQCLSA-N 1 3 313.490 0.685 20 0 DCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@@H]1CCCN(CCCO)C1 ZINC000418780701 262289754 /nfs/dbraw/zinc/28/97/54/262289754.db2.gz BYAVEXJFTOJLGC-KLHDSHLOSA-N 1 3 324.469 0.521 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+](CCC)CC1 ZINC000418917244 262297469 /nfs/dbraw/zinc/29/74/69/262297469.db2.gz SXTJVMCZAGPVJB-CQSZACIVSA-N 1 3 312.458 0.611 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418922607 262298827 /nfs/dbraw/zinc/29/88/27/262298827.db2.gz DQNZZZOMRFTMOM-BYNSBNAKSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418931729 262299460 /nfs/dbraw/zinc/29/94/60/262299460.db2.gz HHEJDOFSGXFNJQ-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419076316 262306820 /nfs/dbraw/zinc/30/68/20/262306820.db2.gz HDTXKDODTNRYRO-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419096173 262308942 /nfs/dbraw/zinc/30/89/42/262308942.db2.gz CATCNKQVADTAEA-WLYUNCDWSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419103451 262309456 /nfs/dbraw/zinc/30/94/56/262309456.db2.gz GBUKCRTUWAWWGG-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419121511 262310324 /nfs/dbraw/zinc/31/03/24/262310324.db2.gz MLUVOZXZCAGJGD-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)CN)CC(C)C ZINC000419128107 262311719 /nfs/dbraw/zinc/31/17/19/262311719.db2.gz VCPNIWJRHNCXAI-OLZOCXBDSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419161246 262315249 /nfs/dbraw/zinc/31/52/49/262315249.db2.gz RKSDPGBFJBFTND-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419167563 262316083 /nfs/dbraw/zinc/31/60/83/262316083.db2.gz IYKUFICJHQYPKY-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419175737 262317331 /nfs/dbraw/zinc/31/73/31/262317331.db2.gz XYLFDMQOLKAJCS-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419220660 262320371 /nfs/dbraw/zinc/32/03/71/262320371.db2.gz BSGJZKBDOVSLEU-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419283685 262324004 /nfs/dbraw/zinc/32/40/04/262324004.db2.gz JWZFPVAPWKDVOW-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000419405976 262330705 /nfs/dbraw/zinc/33/07/05/262330705.db2.gz IHPDOIAPOKXSIU-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419422201 262332524 /nfs/dbraw/zinc/33/25/24/262332524.db2.gz MBXFUAGLPIJDPX-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419419970 262332527 /nfs/dbraw/zinc/33/25/27/262332527.db2.gz JMERZRGVAQURHJ-VNHYZAJKSA-N 1 3 324.469 0.324 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419419970 262332528 /nfs/dbraw/zinc/33/25/28/262332528.db2.gz JMERZRGVAQURHJ-VNHYZAJKSA-N 1 3 324.469 0.324 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419422198 262332691 /nfs/dbraw/zinc/33/26/91/262332691.db2.gz MBXFUAGLPIJDPX-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699533 262347764 /nfs/dbraw/zinc/34/77/64/262347764.db2.gz WGFGBNYIEWVHCV-UONOGXRCSA-N 1 3 324.469 0.753 20 0 DCADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000419837152 262347892 /nfs/dbraw/zinc/34/78/92/262347892.db2.gz WGTHGXTVENERSR-SOUVJXGZSA-N 1 3 322.453 0.363 20 0 DCADHO NC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000419837152 262347893 /nfs/dbraw/zinc/34/78/93/262347893.db2.gz WGTHGXTVENERSR-SOUVJXGZSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419915350 262352428 /nfs/dbraw/zinc/35/24/28/262352428.db2.gz PBHRRTRCWHGHOA-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000419994544 262356704 /nfs/dbraw/zinc/35/67/04/262356704.db2.gz JLTXIRSKKYYZKU-MGPQQGTHSA-N 1 3 312.458 0.323 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000420057663 262358184 /nfs/dbraw/zinc/35/81/84/262358184.db2.gz CUBUQMMNFDFJHJ-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420074601 262359774 /nfs/dbraw/zinc/35/97/74/262359774.db2.gz QWDVNSZQHIREAO-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000420077436 262359834 /nfs/dbraw/zinc/35/98/34/262359834.db2.gz CJYASMXRLMRKLV-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000420099151 262360787 /nfs/dbraw/zinc/36/07/87/262360787.db2.gz JUBHBYYHNRHANV-WMLDXEAASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000420134810 262361866 /nfs/dbraw/zinc/36/18/66/262361866.db2.gz GEWHUIOXGZDIGH-KBPBESRZSA-N 1 3 322.453 0.259 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000420151658 262364104 /nfs/dbraw/zinc/36/41/04/262364104.db2.gz YPGUWQVZVDLYHV-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000420151658 262364105 /nfs/dbraw/zinc/36/41/05/262364105.db2.gz YPGUWQVZVDLYHV-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)C[C@@H](O)CN ZINC000420355007 262370432 /nfs/dbraw/zinc/37/04/32/262370432.db2.gz PFVIBMGUIHNSLO-NSHDSACASA-N 1 3 315.801 0.929 20 0 DCADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)C[C@@H](O)CN ZINC000420355007 262370433 /nfs/dbraw/zinc/37/04/33/262370433.db2.gz PFVIBMGUIHNSLO-NSHDSACASA-N 1 3 315.801 0.929 20 0 DCADHO CN(CCCCN1C(=O)c2ccccc2C1=O)C[C@H](O)C[NH3+] ZINC000420351002 262370498 /nfs/dbraw/zinc/37/04/98/262370498.db2.gz ISLABZLSKZZANC-GFCCVEGCSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@H](O)CN ZINC000420351002 262370499 /nfs/dbraw/zinc/37/04/99/262370499.db2.gz ISLABZLSKZZANC-GFCCVEGCSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@H](O)CN ZINC000420351002 262370500 /nfs/dbraw/zinc/37/05/00/262370500.db2.gz ISLABZLSKZZANC-GFCCVEGCSA-N 1 3 305.378 0.314 20 0 DCADHO C[C@@H]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000420397928 262373097 /nfs/dbraw/zinc/37/30/97/262373097.db2.gz GQCKKSGSOLQIFJ-NXEZZACHSA-N 1 3 324.347 0.681 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000422109791 262395943 /nfs/dbraw/zinc/39/59/43/262395943.db2.gz VUQGGZLRPZVSNY-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000422109791 262395944 /nfs/dbraw/zinc/39/59/44/262395944.db2.gz VUQGGZLRPZVSNY-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430685930 262621635 /nfs/dbraw/zinc/62/16/35/262621635.db2.gz TUUSFULIOCDNDA-ZDUSSCGKSA-N 1 3 320.441 0.616 20 0 DCADHO Cc1ccc(NC(=O)COC2CNC2)c(OCC[NH+](C)C)c1 ZINC000430772399 262623410 /nfs/dbraw/zinc/62/34/10/262623410.db2.gz LSGKMUUQKZJXQH-UHFFFAOYSA-N 1 3 307.394 0.862 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000355445269 271008467 /nfs/dbraw/zinc/00/84/67/271008467.db2.gz INZUPWUFPPYPPG-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358497069 271052418 /nfs/dbraw/zinc/05/24/18/271052418.db2.gz ACGRRTJWSCVNNT-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000358662345 271064795 /nfs/dbraw/zinc/06/47/95/271064795.db2.gz INMVMSUMINTBTR-INIZCTEOSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H](NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000418731467 271253502 /nfs/dbraw/zinc/25/35/02/271253502.db2.gz SVXUWBUHXKCYCE-MELADBBJSA-N 1 3 311.474 0.532 20 0 DCADHO C[NH+](C)CC1(CNC(=O)C(=O)N2CCCNCC2)CCCC1 ZINC000418808886 271254780 /nfs/dbraw/zinc/25/47/80/271254780.db2.gz RTKPLPRIYATYRO-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419026812 271265537 /nfs/dbraw/zinc/26/55/37/271265537.db2.gz NWMSJMGWVRRULQ-RQJABVFESA-N 1 3 312.458 0.180 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H](CN)C1CC1)C(C)(C)C ZINC000419141341 271275333 /nfs/dbraw/zinc/27/53/33/271275333.db2.gz WWPXIXPEEWWBPN-CHWSQXEVSA-N 1 3 312.458 0.323 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000419530415 271297591 /nfs/dbraw/zinc/29/75/91/271297591.db2.gz ZFMLHMNIBGMKTB-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC1([NH3+])CCCCC1)C1CC1 ZINC000419524493 271298465 /nfs/dbraw/zinc/29/84/65/271298465.db2.gz PUKZDQHSGSEZRK-UHFFFAOYSA-N 1 3 310.442 0.365 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419636206 271313723 /nfs/dbraw/zinc/31/37/23/271313723.db2.gz GYSPIVXOBLNWBB-CYBMUJFWSA-N 1 3 320.437 0.336 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419703159 271322191 /nfs/dbraw/zinc/32/21/91/271322191.db2.gz VUHGIZCNWSVLFY-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419703841 271322240 /nfs/dbraw/zinc/32/22/40/271322240.db2.gz WWFJLZDHRGXTOT-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CN)C[NH+]1CCCC1 ZINC000419830544 271330865 /nfs/dbraw/zinc/33/08/65/271330865.db2.gz QLKPKAAXASFVAP-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419886283 271337248 /nfs/dbraw/zinc/33/72/48/271337248.db2.gz CAPALVXGINSFFQ-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000419949812 271349564 /nfs/dbraw/zinc/34/95/64/271349564.db2.gz HRZSURXBVKMRIC-MJBXVCDLSA-N 1 3 310.442 0.171 20 0 DCADHO CC(=O)N1CCN(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422866873 271391439 /nfs/dbraw/zinc/39/14/39/271391439.db2.gz RARNYQTYSXHLDZ-YJBOKZPZSA-N 1 3 318.465 0.699 20 0 DCADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[NH+](C)C ZINC000458707422 271970237 /nfs/dbraw/zinc/97/02/37/271970237.db2.gz AMYBUQMOKAIFCY-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000489992835 272068302 /nfs/dbraw/zinc/06/83/02/272068302.db2.gz KIDZJIVQFRJEQB-KBUPBQIOSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000489992835 272068304 /nfs/dbraw/zinc/06/83/04/272068304.db2.gz KIDZJIVQFRJEQB-KBUPBQIOSA-N 1 3 312.458 0.566 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000524242299 272563294 /nfs/dbraw/zinc/56/32/94/272563294.db2.gz XKTDZRSUUBCBBP-AWEZNQCLSA-N 1 3 321.469 0.792 20 0 DCADHO Cc1cnc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000535433692 287833680 /nfs/dbraw/zinc/83/36/80/287833680.db2.gz XSGMBKKYDPFZDV-UHFFFAOYSA-N 1 3 322.457 0.462 20 0 DCADHO CC(C)[C@H](C(=O)NCCCN1CC[NH2+]CC1)N1CCCCC1 ZINC000236806507 277866980 /nfs/dbraw/zinc/86/69/80/277866980.db2.gz KJYWUCOUUUKCSH-MRXNPFEDSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419952833 278180548 /nfs/dbraw/zinc/18/05/48/278180548.db2.gz KDMNSCAULMFCFE-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000347966732 279096812 /nfs/dbraw/zinc/09/68/12/279096812.db2.gz GTWKECOJFXEDBQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CN(CCN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000337296226 288171514 /nfs/dbraw/zinc/17/15/14/288171514.db2.gz JILXFGCHDJXPLO-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN(CCN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000337296226 288171515 /nfs/dbraw/zinc/17/15/15/288171515.db2.gz JILXFGCHDJXPLO-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN(CCN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CCO1 ZINC000337296226 288171517 /nfs/dbraw/zinc/17/15/17/288171517.db2.gz JILXFGCHDJXPLO-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO CC(C)[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)N1CCN(C)CC1 ZINC000457595184 280246681 /nfs/dbraw/zinc/24/66/81/280246681.db2.gz AJCIKQFIHOKAIA-GJZGRUSLSA-N 1 3 313.490 0.508 20 0 DCADHO C[C@@H](C(=O)N[C@@H](C)CN(C)C)[C@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000553794892 288307424 /nfs/dbraw/zinc/30/74/24/288307424.db2.gz WRLHMOWHMQDUCO-XDQVBPFNSA-N 1 3 314.474 0.391 20 0 DCADHO C[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000553794892 288307428 /nfs/dbraw/zinc/30/74/28/288307428.db2.gz WRLHMOWHMQDUCO-XDQVBPFNSA-N 1 3 314.474 0.391 20 0 DCADHO C[NH+](C)CC(C)(C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415951232 282061033 /nfs/dbraw/zinc/06/10/33/282061033.db2.gz IQFZEFLWCOFUID-UHFFFAOYSA-N 1 3 321.429 0.348 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000562828741 288603182 /nfs/dbraw/zinc/60/31/82/288603182.db2.gz FDDQHRCIYHMPKY-AWEZNQCLSA-N 1 3 310.442 0.032 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)NC1CNC1)[NH+]1CCCCCC1 ZINC000563615393 288691342 /nfs/dbraw/zinc/69/13/42/288691342.db2.gz LYKWJGVHEGRARD-CQSZACIVSA-N 1 3 310.442 0.091 20 0 DCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC1CNC1 ZINC000563620405 288692166 /nfs/dbraw/zinc/69/21/66/288692166.db2.gz WWQPTPWQQBZYMQ-UHFFFAOYSA-N 1 3 318.421 0.233 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1=O ZINC000365311900 289158025 /nfs/dbraw/zinc/15/80/25/289158025.db2.gz YHDQAFUHJRPYCU-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000343921951 297002836 /nfs/dbraw/zinc/00/28/36/297002836.db2.gz JMSMFLAIQMNUPA-IAGOWNOFSA-N 1 3 310.486 0.276 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCOCC2)CC[C@H]1N1CCN(C)CC1 ZINC000343921951 297002838 /nfs/dbraw/zinc/00/28/38/297002838.db2.gz JMSMFLAIQMNUPA-IAGOWNOFSA-N 1 3 310.486 0.276 20 0 DCADHO C[C@@H]1CN(CCN2CCOCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343921951 297002840 /nfs/dbraw/zinc/00/28/40/297002840.db2.gz JMSMFLAIQMNUPA-IAGOWNOFSA-N 1 3 310.486 0.276 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000331730181 295256340 /nfs/dbraw/zinc/25/63/40/295256340.db2.gz PKZNAUVOKWPUSP-RRFJBIMHSA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C3CCOCC3)C[C@@H]12 ZINC000248648263 295320363 /nfs/dbraw/zinc/32/03/63/295320363.db2.gz UAEKGNGLODRLNX-MIGQKNRLSA-N 1 3 307.438 0.826 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@H](C)O1 ZINC000414207246 297283651 /nfs/dbraw/zinc/28/36/51/297283651.db2.gz ZJKRIVLBHCZEJX-OWCLPIDISA-N 1 3 311.470 0.939 20 0 DCADHO O=C([C@@H]1CNCc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000582060820 333194363 /nfs/dbraw/zinc/19/43/63/333194363.db2.gz HGPGBQJMPIYJSJ-NVXWUHKLSA-N 1 3 314.433 0.380 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC001573646708 1159228549 /nfs/dbraw/zinc/22/85/49/1159228549.db2.gz VIPABHZFESKASP-MGPQQGTHSA-N 1 3 303.472 0.778 20 0 DCADHO CSC1(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC001574097713 1159244211 /nfs/dbraw/zinc/24/42/11/1159244211.db2.gz RRTNQJSHZGFXEW-LBPRGKRZSA-N 1 3 321.512 0.485 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000583263584 337292897 /nfs/dbraw/zinc/29/28/97/337292897.db2.gz KVRQSQDEFUIUCP-IHRRRGAJSA-N 1 3 312.458 0.465 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)ccc2oc1=O ZINC000577954696 341957788 /nfs/dbraw/zinc/95/77/88/341957788.db2.gz NVAUPQOCNCCULI-PHIMTYICSA-N 1 3 318.377 0.832 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000364223983 521685200 /nfs/dbraw/zinc/68/52/00/521685200.db2.gz XMKGWHXHEZPIQP-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc21 ZINC000237001397 521822191 /nfs/dbraw/zinc/82/21/91/521822191.db2.gz MEDPVSKZGXARLE-HUUCEWRRSA-N 1 3 316.405 0.864 20 0 DCADHO C[C@H](CC(N)=O)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000267285532 524085245 /nfs/dbraw/zinc/08/52/45/524085245.db2.gz WHEUNUUETCCSIM-GFCCVEGCSA-N 1 3 306.410 0.332 20 0 DCADHO C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000267548464 524416681 /nfs/dbraw/zinc/41/66/81/524416681.db2.gz CHFJKOIQNDRAHZ-ZDUSSCGKSA-N 1 3 305.422 0.997 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)NCCC[NH3+])CC2)c1 ZINC000237680229 524555499 /nfs/dbraw/zinc/55/54/99/524555499.db2.gz NZUUIGLOTGBWPP-UHFFFAOYSA-N 1 3 304.438 0.972 20 0 DCADHO CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000457485500 535469107 /nfs/dbraw/zinc/46/91/07/535469107.db2.gz OGUACZDSNFYRJU-OAHLLOKOSA-N 1 3 312.458 0.617 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)C1CC[NH+](C)CC1 ZINC000494675479 535916401 /nfs/dbraw/zinc/91/64/01/535916401.db2.gz VCUJJENHXNRNDI-UHFFFAOYSA-N 1 3 320.437 0.980 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N(C)C ZINC000237040350 545953632 /nfs/dbraw/zinc/95/36/32/545953632.db2.gz VAIFCIQDLLSZEC-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000333830935 546092902 /nfs/dbraw/zinc/09/29/02/546092902.db2.gz MNJVOWAEVYIDOY-KFWWJZLASA-N 1 3 311.474 0.452 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339311241 546107083 /nfs/dbraw/zinc/10/70/83/546107083.db2.gz RGWQJBMACRIZNP-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO NS(=O)(=O)C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662277362 546372703 /nfs/dbraw/zinc/37/27/03/546372703.db2.gz QANXKIVZQNSUKN-UHFFFAOYSA-N 1 3 309.435 0.585 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1CC(O)C1 ZINC000665761746 546395098 /nfs/dbraw/zinc/39/50/98/546395098.db2.gz OTLFRRCJBCWALU-NFOMZHRRSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1CC(O)C1 ZINC000665761746 546395100 /nfs/dbraw/zinc/39/51/00/546395100.db2.gz OTLFRRCJBCWALU-NFOMZHRRSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1CO ZINC000665759092 546395718 /nfs/dbraw/zinc/39/57/18/546395718.db2.gz ZGTXYPHGUYXBNB-KBPBESRZSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1CO ZINC000665759092 546395723 /nfs/dbraw/zinc/39/57/23/546395723.db2.gz ZGTXYPHGUYXBNB-KBPBESRZSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@H]1C ZINC000665763431 546396589 /nfs/dbraw/zinc/39/65/89/546396589.db2.gz AKCPJLJLRIJHRD-BFHYXJOUSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]1(C)CO ZINC000665761890 546397892 /nfs/dbraw/zinc/39/78/92/546397892.db2.gz SYLNLLGQBOTULJ-GOEBONIOSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]1(C)CO ZINC000665761890 546397895 /nfs/dbraw/zinc/39/78/95/546397895.db2.gz SYLNLLGQBOTULJ-GOEBONIOSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000665762789 546397955 /nfs/dbraw/zinc/39/79/55/546397955.db2.gz PVKUHWKBJBFFFH-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000665762789 546397958 /nfs/dbraw/zinc/39/79/58/546397958.db2.gz PVKUHWKBJBFFFH-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO CN1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666969243 546536261 /nfs/dbraw/zinc/53/62/61/546536261.db2.gz KCRMGTRQRAQIOA-OAHLLOKOSA-N 1 3 310.442 0.587 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666976466 546538762 /nfs/dbraw/zinc/53/87/62/546538762.db2.gz JCOTXAPXFZHASF-MRXNPFEDSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666976466 546538764 /nfs/dbraw/zinc/53/87/64/546538764.db2.gz JCOTXAPXFZHASF-MRXNPFEDSA-N 1 3 324.469 0.975 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000668546164 546781345 /nfs/dbraw/zinc/78/13/45/546781345.db2.gz VBWBZLWJOMRRTJ-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000668546164 546781349 /nfs/dbraw/zinc/78/13/49/546781349.db2.gz VBWBZLWJOMRRTJ-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CCO1 ZINC000669303738 546953519 /nfs/dbraw/zinc/95/35/19/546953519.db2.gz QQLTYJBNUXYZKC-TUVASFSCSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCCO1 ZINC000669570930 546992580 /nfs/dbraw/zinc/99/25/80/546992580.db2.gz RVAMTRZSNJLYLP-ZNMIVQPWSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@@H+]1C ZINC000672306579 547347031 /nfs/dbraw/zinc/34/70/31/547347031.db2.gz OXLKHUVEXXBAIU-SNPRPXQTSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@H+]1C ZINC000672306579 547347034 /nfs/dbraw/zinc/34/70/34/547347034.db2.gz OXLKHUVEXXBAIU-SNPRPXQTSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCC1 ZINC000672979972 547431054 /nfs/dbraw/zinc/43/10/54/547431054.db2.gz MUAKYCAVXOBUIF-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000675532591 547688287 /nfs/dbraw/zinc/68/82/87/547688287.db2.gz KOTZQCPMOFTCFC-CQSZACIVSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@](O)(C[NH2+]C[C@H](O)CN1CCCC1)C(F)(F)C(F)(F)F ZINC000905346426 663547285 /nfs/dbraw/zinc/54/72/85/663547285.db2.gz QISBXULZOZARTP-VHSXEESVSA-N 1 3 320.302 0.981 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cnnn2C)CN1C(=O)CN1CCCC1 ZINC000980800324 661013050 /nfs/dbraw/zinc/01/30/50/661013050.db2.gz PJMNOLISABDKKA-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2nccn2C)CN1C(=O)CN1CCCC1 ZINC000980802364 661014216 /nfs/dbraw/zinc/01/42/16/661014216.db2.gz YJTJSQOLBUWCAA-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)CCN(C)CC1 ZINC000893625034 661048466 /nfs/dbraw/zinc/04/84/66/661048466.db2.gz DPWJMPNEXIYIHW-HOCLYGCPSA-N 1 3 323.485 0.358 20 0 DCADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)CCN(C)CC1 ZINC000893625034 661048467 /nfs/dbraw/zinc/04/84/67/661048467.db2.gz DPWJMPNEXIYIHW-HOCLYGCPSA-N 1 3 323.485 0.358 20 0 DCADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037202 661093407 /nfs/dbraw/zinc/09/34/07/661093407.db2.gz RBAYEHVOQGCCHK-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037202 661093409 /nfs/dbraw/zinc/09/34/09/661093409.db2.gz RBAYEHVOQGCCHK-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812822 661222859 /nfs/dbraw/zinc/22/28/59/661222859.db2.gz VVIULBWTWUSQPC-ZFWWWQNUSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812822 661222861 /nfs/dbraw/zinc/22/28/61/661222861.db2.gz VVIULBWTWUSQPC-ZFWWWQNUSA-N 1 3 309.454 0.632 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCCN2CCO)cc1 ZINC001028137510 661232035 /nfs/dbraw/zinc/23/20/35/661232035.db2.gz LNDFRABZDWSHRG-KRWDZBQOSA-N 1 3 319.449 0.977 20 0 DCADHO O=C(NC[C@@H]1CCN1CC[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001038926934 661270761 /nfs/dbraw/zinc/27/07/61/661270761.db2.gz SOXRNFKXJRIZKC-GJZGRUSLSA-N 1 3 307.438 0.699 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000891575172 657497583 /nfs/dbraw/zinc/49/75/83/657497583.db2.gz FDEACIILFRUCFV-ZIAGYGMSSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC000970446977 657526811 /nfs/dbraw/zinc/52/68/11/657526811.db2.gz IEULQOILZRTWOY-IUODEOHRSA-N 1 3 322.453 0.173 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970720672 657826977 /nfs/dbraw/zinc/82/69/77/657826977.db2.gz YKXDBTCPKALSTE-OAHLLOKOSA-N 1 3 305.426 0.515 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC000969594975 658012071 /nfs/dbraw/zinc/01/20/71/658012071.db2.gz DBYCZWPHIMVQGC-RRFJBIMHSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891980716 658046728 /nfs/dbraw/zinc/04/67/28/658046728.db2.gz XVZZCOHAVQMVML-CJNGLKHVSA-N 1 3 302.422 1.000 20 0 DCADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968660 658102817 /nfs/dbraw/zinc/10/28/17/658102817.db2.gz GNWLAEZMPJVQKO-DGNOSDGRSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968660 658102822 /nfs/dbraw/zinc/10/28/22/658102822.db2.gz GNWLAEZMPJVQKO-DGNOSDGRSA-N 1 3 307.438 0.791 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020586472 658162601 /nfs/dbraw/zinc/16/26/01/658162601.db2.gz OUNSQSWFYSLWQE-RBSFLKMASA-N 1 3 305.426 0.604 20 0 DCADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cnnn1C ZINC000926574911 658167009 /nfs/dbraw/zinc/16/70/09/658167009.db2.gz AWTKKZUTKSMHLH-CQSZACIVSA-N 1 3 322.457 0.262 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)NC[C@H]1C[NH2+]CCCO1 ZINC000892170399 658260485 /nfs/dbraw/zinc/26/04/85/658260485.db2.gz UOQPIAJPAWVOIG-HZPDHXFCSA-N 1 3 318.421 0.379 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001023889244 658296618 /nfs/dbraw/zinc/29/66/18/658296618.db2.gz MQFCLGBTYORMGO-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001023890487 658298691 /nfs/dbraw/zinc/29/86/91/658298691.db2.gz ATJMYRHFCFXBND-GXTWGEPZSA-N 1 3 323.466 0.961 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969961141 658299887 /nfs/dbraw/zinc/29/98/87/658299887.db2.gz AQJFUSFGEBLUIP-DOMZBBRYSA-N 1 3 301.406 0.382 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001022712307 658351981 /nfs/dbraw/zinc/35/19/81/658351981.db2.gz OUNSQSWFYSLWQE-KFWWJZLASA-N 1 3 305.426 0.604 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734746 658358831 /nfs/dbraw/zinc/35/88/31/658358831.db2.gz FZKLPZFPMOCMAS-HNNXBMFYSA-N 1 3 317.437 0.512 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001022713305 658359113 /nfs/dbraw/zinc/35/91/13/658359113.db2.gz JZHJKBFPXVJGDV-CWRNSKLLSA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1)C(N)=O ZINC001020676272 658367629 /nfs/dbraw/zinc/36/76/29/658367629.db2.gz YZUFZGVSAFQGIY-ZQDZILKHSA-N 1 3 324.469 0.750 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001022716744 658372964 /nfs/dbraw/zinc/37/29/64/658372964.db2.gz HLEGVDSHZRMUDD-XQQFMLRXSA-N 1 3 310.442 0.219 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001022717031 658377722 /nfs/dbraw/zinc/37/77/22/658377722.db2.gz NFTGFNQMVDJRJX-GASCZTMLSA-N 1 3 319.453 0.852 20 0 DCADHO CN(CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001024018571 658401927 /nfs/dbraw/zinc/40/19/27/658401927.db2.gz PTJAOBJNVURVMN-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CCF)C1 ZINC000999144070 665585485 /nfs/dbraw/zinc/58/54/85/665585485.db2.gz VDBBKMWTJAAGSH-IXUJDMMCSA-N 1 3 311.401 0.398 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001024268034 658545787 /nfs/dbraw/zinc/54/57/87/658545787.db2.gz OUIWKRDWXUWCRR-CYBMUJFWSA-N 1 3 323.466 0.962 20 0 DCADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cnn(C)c1 ZINC000939546172 665601270 /nfs/dbraw/zinc/60/12/70/665601270.db2.gz RDVANCAFSCDWHU-UKRRQHHQSA-N 1 3 317.437 0.452 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891403483 658708675 /nfs/dbraw/zinc/70/86/75/658708675.db2.gz QTHVWHHXTOANPZ-UONOGXRCSA-N 1 3 310.442 0.539 20 0 DCADHO CC[NH+](CC)CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891413654 658714961 /nfs/dbraw/zinc/71/49/61/658714961.db2.gz ZUBICAPMZIXMKO-CABCVRRESA-N 1 3 312.458 0.569 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001021048954 658727826 /nfs/dbraw/zinc/72/78/26/658727826.db2.gz CFAHOXDYUQEGOD-MGPQQGTHSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001021048954 658727830 /nfs/dbraw/zinc/72/78/30/658727830.db2.gz CFAHOXDYUQEGOD-MGPQQGTHSA-N 1 3 303.410 0.474 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021096469 658764585 /nfs/dbraw/zinc/76/45/85/658764585.db2.gz ULQVHPDOJJQDNB-KBUPBQIOSA-N 1 3 322.453 0.376 20 0 DCADHO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001022119368 658875621 /nfs/dbraw/zinc/87/56/21/658875621.db2.gz FEKKFYLNWPLYPM-QXSJWSMHSA-N 1 3 307.438 0.887 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001022975973 658884205 /nfs/dbraw/zinc/88/42/05/658884205.db2.gz ZPQIKTIAZOIEJJ-BMFZPTHFSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001022975973 658884211 /nfs/dbraw/zinc/88/42/11/658884211.db2.gz ZPQIKTIAZOIEJJ-BMFZPTHFSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@]23CCOC3)C1 ZINC001023024949 658919891 /nfs/dbraw/zinc/91/98/91/658919891.db2.gz NQZUCXXUDWSHDD-WVZRYYJFSA-N 1 3 318.421 0.924 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1)C1CC1 ZINC000999372945 665634943 /nfs/dbraw/zinc/63/49/43/665634943.db2.gz PQRQRJNYTJIZPG-GDBMZVCRSA-N 1 3 319.453 0.841 20 0 DCADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000999373510 665634993 /nfs/dbraw/zinc/63/49/93/665634993.db2.gz QOFQSBXYWNXJBW-DZGCQCFKSA-N 1 3 322.453 0.459 20 0 DCADHO NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999373510 665634995 /nfs/dbraw/zinc/63/49/95/665634995.db2.gz QOFQSBXYWNXJBW-DZGCQCFKSA-N 1 3 322.453 0.459 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999405267 665641532 /nfs/dbraw/zinc/64/15/32/665641532.db2.gz DWOHSFMFPYQULH-WLYUNCDWSA-N 1 3 319.453 0.983 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027215692 659087683 /nfs/dbraw/zinc/08/76/83/659087683.db2.gz LLETZXNLNQNLLL-UONOGXRCSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1cc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001027215692 659087685 /nfs/dbraw/zinc/08/76/85/659087685.db2.gz LLETZXNLNQNLLL-UONOGXRCSA-N 1 3 306.410 0.873 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999406146 665641785 /nfs/dbraw/zinc/64/17/85/665641785.db2.gz KQQURABLUODXDT-VQCLRJIVSA-N 1 3 319.453 0.983 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001027333873 659270870 /nfs/dbraw/zinc/27/08/70/659270870.db2.gz FBPPPLJLADMQQM-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027333873 659270874 /nfs/dbraw/zinc/27/08/74/659270874.db2.gz FBPPPLJLADMQQM-LSDHHAIUSA-N 1 3 320.441 0.295 20 0 DCADHO CCO[C@H](CNC(=O)N(CC)[C@H]1CCN(C)C1)C[NH+](C)C ZINC000926846496 659452771 /nfs/dbraw/zinc/45/27/71/659452771.db2.gz IUXPCEAUYVPOAR-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892792639 659457019 /nfs/dbraw/zinc/45/70/19/659457019.db2.gz QCSFLXOULYSGFA-CVEARBPZSA-N 1 3 318.421 0.067 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)CCCO1 ZINC000892790188 659458263 /nfs/dbraw/zinc/45/82/63/659458263.db2.gz YYKCSLPPMIXZAD-HZPDHXFCSA-N 1 3 318.421 0.460 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001026734833 659492310 /nfs/dbraw/zinc/49/23/10/659492310.db2.gz UQNMKKCQRSAYAE-ZBFHGGJFSA-N 1 3 317.437 0.817 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999764946 665681021 /nfs/dbraw/zinc/68/10/21/665681021.db2.gz MGPKIZWDCMYEIX-DGNOSDGRSA-N 1 3 307.438 0.839 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001019774675 659613205 /nfs/dbraw/zinc/61/32/05/659613205.db2.gz CXYHWWQPTMXUFI-GJZGRUSLSA-N 1 3 322.453 0.189 20 0 DCADHO Cn1cnnc1CNC[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001026887162 659627640 /nfs/dbraw/zinc/62/76/40/659627640.db2.gz LXWZVXZAFLABLQ-WFASDCNBSA-N 1 3 320.441 0.093 20 0 DCADHO CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498953 659629790 /nfs/dbraw/zinc/62/97/90/659629790.db2.gz ROIXKSYBICKKRI-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498953 659629791 /nfs/dbraw/zinc/62/97/91/659629791.db2.gz ROIXKSYBICKKRI-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001026921178 659639262 /nfs/dbraw/zinc/63/92/62/659639262.db2.gz NVSBNWKKDSFBPM-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC000999848751 665691599 /nfs/dbraw/zinc/69/15/99/665691599.db2.gz DDETUIRCUIHRBH-CJNGLKHVSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)no2)C1)N(C)C ZINC001026917206 659641363 /nfs/dbraw/zinc/64/13/63/659641363.db2.gz XCNVOEQNKTYSGA-GXTWGEPZSA-N 1 3 324.425 0.962 20 0 DCADHO COc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)n1 ZINC001020025145 659658668 /nfs/dbraw/zinc/65/86/68/659658668.db2.gz CEWPYXDXYWHDSC-RBSFLKMASA-N 1 3 318.421 0.921 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3ccn(C)n3)C2)C1 ZINC001027064369 659762270 /nfs/dbraw/zinc/76/22/70/659762270.db2.gz CLEYSANKGXZLQF-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3ccn(C)n3)C2)C1 ZINC001027064369 659762274 /nfs/dbraw/zinc/76/22/74/659762274.db2.gz CLEYSANKGXZLQF-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001027066588 659764445 /nfs/dbraw/zinc/76/44/45/659764445.db2.gz UPNNDTMLIJREMT-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000076104 665735962 /nfs/dbraw/zinc/73/59/62/665735962.db2.gz DBVZEFIJLGWBRK-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001032733657 665751500 /nfs/dbraw/zinc/75/15/00/665751500.db2.gz FJVGXQRVQFVNAF-PMPSAXMXSA-N 1 3 319.449 0.794 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001000184321 665766537 /nfs/dbraw/zinc/76/65/37/665766537.db2.gz MVHAJUYYOKDQMU-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554317 661565515 /nfs/dbraw/zinc/56/55/15/661565515.db2.gz VHENSYFSMONLFE-AHCXZYCDSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554317 661565517 /nfs/dbraw/zinc/56/55/17/661565517.db2.gz VHENSYFSMONLFE-AHCXZYCDSA-N 1 3 323.481 0.879 20 0 DCADHO Cn1nc2c(c1CNCCCC[N@@H+]1CCC[C@@H]1CO)COCC2 ZINC000921720844 665792688 /nfs/dbraw/zinc/79/26/88/665792688.db2.gz MOWDYPWIKLFIIR-CQSZACIVSA-N 1 3 322.453 0.819 20 0 DCADHO Cn1nc2c(c1CNCCCC[N@H+]1CCC[C@@H]1CO)COCC2 ZINC000921720844 665792691 /nfs/dbraw/zinc/79/26/91/665792691.db2.gz MOWDYPWIKLFIIR-CQSZACIVSA-N 1 3 322.453 0.819 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001000378571 665832046 /nfs/dbraw/zinc/83/20/46/665832046.db2.gz OFVZUEYEGAISJN-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CN1CC[C@@H]1CNC(=O)C(C)(C)CCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928561436 662128175 /nfs/dbraw/zinc/12/81/75/662128175.db2.gz BDSAIQJHZDCYAW-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@@H]1CNC(=O)C(C)(C)CCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928561436 662128176 /nfs/dbraw/zinc/12/81/76/662128176.db2.gz BDSAIQJHZDCYAW-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000940756380 665845979 /nfs/dbraw/zinc/84/59/79/665845979.db2.gz XAOJBYUWMGSBKZ-TUVASFSCSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000940756380 665845983 /nfs/dbraw/zinc/84/59/83/665845983.db2.gz XAOJBYUWMGSBKZ-TUVASFSCSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCOC3)C2)C1 ZINC000984802504 662318012 /nfs/dbraw/zinc/31/80/12/662318012.db2.gz BFWFFDMPTHXXIL-KLHDSHLOSA-N 1 3 309.454 0.849 20 0 DCADHO CCn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000985121048 662370471 /nfs/dbraw/zinc/37/04/71/662370471.db2.gz BGBPEZWCSOHABG-DZKIICNBSA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985121048 662370473 /nfs/dbraw/zinc/37/04/73/662370473.db2.gz BGBPEZWCSOHABG-DZKIICNBSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000985599746 662490793 /nfs/dbraw/zinc/49/07/93/662490793.db2.gz RCZQVYOEDGVCGP-IHRRRGAJSA-N 1 3 324.469 0.513 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000985599746 662490795 /nfs/dbraw/zinc/49/07/95/662490795.db2.gz RCZQVYOEDGVCGP-IHRRRGAJSA-N 1 3 324.469 0.513 20 0 DCADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985752346 662508552 /nfs/dbraw/zinc/50/85/52/662508552.db2.gz SAIVINFQMMRXFR-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985752346 662508553 /nfs/dbraw/zinc/50/85/53/662508553.db2.gz SAIVINFQMMRXFR-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029902294 662552673 /nfs/dbraw/zinc/55/26/73/662552673.db2.gz OWUYWTCXHWNQGH-ZBFHGGJFSA-N 1 3 319.453 0.652 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029902294 662552674 /nfs/dbraw/zinc/55/26/74/662552674.db2.gz OWUYWTCXHWNQGH-ZBFHGGJFSA-N 1 3 319.453 0.652 20 0 DCADHO C[C@H]1[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN(C)C1CCC1 ZINC000986353013 662585491 /nfs/dbraw/zinc/58/54/91/662585491.db2.gz HWJXUEYFLKMXDY-XJKSGUPXSA-N 1 3 319.453 0.983 20 0 DCADHO C[N@H+](CC1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCNC1=O ZINC001030013339 662634306 /nfs/dbraw/zinc/63/43/06/662634306.db2.gz DWYJMOWBPXESFB-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](CC1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCNC1=O ZINC001030013339 662634307 /nfs/dbraw/zinc/63/43/07/662634307.db2.gz DWYJMOWBPXESFB-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+](CC1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCNC1=O ZINC001030013338 662634367 /nfs/dbraw/zinc/63/43/67/662634367.db2.gz DWYJMOWBPXESFB-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](CC1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCNC1=O ZINC001030013338 662634369 /nfs/dbraw/zinc/63/43/69/662634369.db2.gz DWYJMOWBPXESFB-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360277 662671917 /nfs/dbraw/zinc/67/19/17/662671917.db2.gz UHBGWWSVZFNUQE-HIFRSBDPSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000897460759 662762234 /nfs/dbraw/zinc/76/22/34/662762234.db2.gz VYZRKQIASRWEGR-CABCVRRESA-N 1 3 312.458 0.474 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000897460759 662762236 /nfs/dbraw/zinc/76/22/36/662762236.db2.gz VYZRKQIASRWEGR-CABCVRRESA-N 1 3 312.458 0.474 20 0 DCADHO COC1CCN(CCNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897486553 662787562 /nfs/dbraw/zinc/78/75/62/662787562.db2.gz QBXPWFSQNLYMNT-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COC1CCN(CCNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897486553 662787563 /nfs/dbraw/zinc/78/75/63/662787563.db2.gz QBXPWFSQNLYMNT-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1CCC[N@H+](CCCCN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925283648 662788382 /nfs/dbraw/zinc/78/83/82/662788382.db2.gz SVMVXLCKBOWQSY-KGLIPLIRSA-N 1 3 310.442 0.981 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCCCN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925283648 662788383 /nfs/dbraw/zinc/78/83/83/662788383.db2.gz SVMVXLCKBOWQSY-KGLIPLIRSA-N 1 3 310.442 0.981 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988957298 662873470 /nfs/dbraw/zinc/87/34/70/662873470.db2.gz FCUHPAXTYXMSKJ-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897544727 662891986 /nfs/dbraw/zinc/89/19/86/662891986.db2.gz BUIXQAZAMIWAJV-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897544727 662891987 /nfs/dbraw/zinc/89/19/87/662891987.db2.gz BUIXQAZAMIWAJV-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cncn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989387993 662909112 /nfs/dbraw/zinc/90/91/12/662909112.db2.gz DBIAVDRXYNFBHM-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO O=C([C@@H]1CCCN1C1CC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113745 662939297 /nfs/dbraw/zinc/93/92/97/662939297.db2.gz LULNFXHLXNHVKE-INIZCTEOSA-N 1 3 321.465 0.966 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000989492006 662953365 /nfs/dbraw/zinc/95/33/65/662953365.db2.gz LATCASFRIGEZQI-WFASDCNBSA-N 1 3 316.409 0.507 20 0 DCADHO COCCN1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000707171 665919686 /nfs/dbraw/zinc/91/96/86/665919686.db2.gz DAFKYEYEFJKQLL-INIZCTEOSA-N 1 3 307.438 0.723 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccn2nnnc12 ZINC000898584234 663096752 /nfs/dbraw/zinc/09/67/52/663096752.db2.gz AIDXJIXBKWZXQK-LBPRGKRZSA-N 1 3 319.413 0.126 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccn2nnnc12 ZINC000898584234 663096753 /nfs/dbraw/zinc/09/67/53/663096753.db2.gz AIDXJIXBKWZXQK-LBPRGKRZSA-N 1 3 319.413 0.126 20 0 DCADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000900119941 663216266 /nfs/dbraw/zinc/21/62/66/663216266.db2.gz SZPKQJBWCQHUDN-QGZVFWFLSA-N 1 3 309.454 0.920 20 0 DCADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000900119941 663216267 /nfs/dbraw/zinc/21/62/67/663216267.db2.gz SZPKQJBWCQHUDN-QGZVFWFLSA-N 1 3 309.454 0.920 20 0 DCADHO COCCN1CCC[C@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900605746 663260302 /nfs/dbraw/zinc/26/03/02/663260302.db2.gz LNGVWXDSYPTVLB-GOEBONIOSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CCC[C@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900605746 663260303 /nfs/dbraw/zinc/26/03/03/663260303.db2.gz LNGVWXDSYPTVLB-GOEBONIOSA-N 1 3 313.442 0.060 20 0 DCADHO CN(C(=O)Cc1cnc[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900670672 663269992 /nfs/dbraw/zinc/26/99/92/663269992.db2.gz SPUZHDHTFKIKJL-OAHLLOKOSA-N 1 3 305.426 0.579 20 0 DCADHO CN(C(=O)Cc1cnc[nH]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900670671 663270069 /nfs/dbraw/zinc/27/00/69/663270069.db2.gz SPUZHDHTFKIKJL-HNNXBMFYSA-N 1 3 305.426 0.579 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215336 665945756 /nfs/dbraw/zinc/94/57/56/665945756.db2.gz QOUZVIWZDPNXEW-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO Cn1ccn2c(CCN[C@@H]3CC[NH2+]CC(C)(C)C3)nnc2c1=O ZINC000902403282 663412467 /nfs/dbraw/zinc/41/24/67/663412467.db2.gz RBEQRDZHVHEJIV-GFCCVEGCSA-N 1 3 318.425 0.338 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCc2ccns2)CC1 ZINC000903464411 663455265 /nfs/dbraw/zinc/45/52/65/663455265.db2.gz MMGKHDFDYSLOLB-UONOGXRCSA-N 1 3 322.434 0.943 20 0 DCADHO O=C1CCCN1[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903729386 663476148 /nfs/dbraw/zinc/47/61/48/663476148.db2.gz LZMYLNHWEWLZEM-VYDXJSESSA-N 1 3 307.438 0.842 20 0 DCADHO OCC[C@@H]1CSCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732033 663476314 /nfs/dbraw/zinc/47/63/14/663476314.db2.gz BZAMQKRSHXQKON-KGLIPLIRSA-N 1 3 300.468 0.945 20 0 DCADHO O[C@@H]1CCC[C@@H]1N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903735735 663477811 /nfs/dbraw/zinc/47/78/11/663477811.db2.gz DBLUAQQYWTZVDZ-IXDOHACOSA-N 1 3 323.481 0.676 20 0 DCADHO CN(C)C(=O)N(C)[C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766088 663480840 /nfs/dbraw/zinc/48/08/40/663480840.db2.gz OFSRVBRJVXEDCL-CABCVRRESA-N 1 3 324.469 0.833 20 0 DCADHO Cn1nnnc1C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780513 663484196 /nfs/dbraw/zinc/48/41/96/663484196.db2.gz HUNJPSKHWMARGV-DZGCQCFKSA-N 1 3 306.414 0.158 20 0 DCADHO Nc1nc(C2CC2)nc(N2CCN(C[C@H]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC000903825300 663487976 /nfs/dbraw/zinc/48/79/76/663487976.db2.gz YPKHZNIXVJMZRL-WCQYABFASA-N 1 3 317.441 0.581 20 0 DCADHO COc1ccc(CN(CCCO)CCN2CC[NH2+]CC2)cc1 ZINC000903831345 663488266 /nfs/dbraw/zinc/48/82/66/663488266.db2.gz IMYXPRMMZRZMIJ-UHFFFAOYSA-N 1 3 307.438 0.785 20 0 DCADHO COC(=O)c1coc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1 ZINC000903976800 663498834 /nfs/dbraw/zinc/49/88/34/663498834.db2.gz BJTHXQYYSRBLQE-OZVIIMIRSA-N 1 3 322.361 0.779 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000905356034 663548257 /nfs/dbraw/zinc/54/82/57/663548257.db2.gz JYKVCIWGTHZEDV-AWEZNQCLSA-N 1 3 317.499 0.978 20 0 DCADHO CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905343146 663551302 /nfs/dbraw/zinc/55/13/02/663551302.db2.gz NWKBFBWBWWXENT-HUUCEWRRSA-N 1 3 315.483 0.732 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001000995770 665977344 /nfs/dbraw/zinc/97/73/44/665977344.db2.gz ZPEYLTOOOGWCMZ-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000994603 665977481 /nfs/dbraw/zinc/97/74/81/665977481.db2.gz WAFGPBWSCNSUMV-HNNXBMFYSA-N 1 3 305.422 0.935 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906658733 663632605 /nfs/dbraw/zinc/63/26/05/663632605.db2.gz ORDKYGLCAVRHKP-UHFFFAOYSA-N 1 3 306.410 0.839 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906722883 663638590 /nfs/dbraw/zinc/63/85/90/663638590.db2.gz XQJLOQZCCOWSGX-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)N1CCCCC1 ZINC000910945040 663960777 /nfs/dbraw/zinc/96/07/77/663960777.db2.gz AIXCLHJHRGKMHB-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000911161818 663995666 /nfs/dbraw/zinc/99/56/66/663995666.db2.gz NCFBTZYRYDMSRI-QLFBSQMISA-N 1 3 324.469 0.278 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911209056 664005473 /nfs/dbraw/zinc/00/54/73/664005473.db2.gz LPPVJYFBTZDDOC-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911209808 664005566 /nfs/dbraw/zinc/00/55/66/664005566.db2.gz NATKHDJIMSHYIX-CPUCHLNUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C1=CCN(C)CC1 ZINC000911218057 664006896 /nfs/dbraw/zinc/00/68/96/664006896.db2.gz HMBUTOHCAXNJNX-VNHYZAJKSA-N 1 3 322.453 0.196 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911259622 664017465 /nfs/dbraw/zinc/01/74/65/664017465.db2.gz YRCSCMDUHYAWIM-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911293176 664020070 /nfs/dbraw/zinc/02/00/70/664020070.db2.gz SUYDDEZQBDNOPP-CYBMUJFWSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[NH2+]1 ZINC000911306008 664024170 /nfs/dbraw/zinc/02/41/70/664024170.db2.gz FMAACDPEIJLRBL-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911345079 664040010 /nfs/dbraw/zinc/04/00/10/664040010.db2.gz DQEPSUILTPGENC-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000911505553 664067116 /nfs/dbraw/zinc/06/71/16/664067116.db2.gz DSWUORIRRWCUPS-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911533133 664070682 /nfs/dbraw/zinc/07/06/82/664070682.db2.gz NFZHJMNDNXEYSK-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911521203 664074161 /nfs/dbraw/zinc/07/41/61/664074161.db2.gz UAYCYSNVQJSVSB-QWHCGFSZSA-N 1 3 310.442 0.042 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000911547940 664076334 /nfs/dbraw/zinc/07/63/34/664076334.db2.gz ZUMNUBMNNQEAJJ-APIJFGDWSA-N 1 3 320.437 0.082 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911549719 664076884 /nfs/dbraw/zinc/07/68/84/664076884.db2.gz KFBPRHRAUNKSKF-HZSPNIEDSA-N 1 3 322.453 0.328 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC000911774343 664107078 /nfs/dbraw/zinc/10/70/78/664107078.db2.gz KBPZVPPEDYSRKI-RISCZKNCSA-N 1 3 316.405 0.580 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000993806660 665004600 /nfs/dbraw/zinc/00/46/00/665004600.db2.gz MXJKCJXGYBUEFZ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000993806660 665004601 /nfs/dbraw/zinc/00/46/01/665004601.db2.gz MXJKCJXGYBUEFZ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000993816541 665005998 /nfs/dbraw/zinc/00/59/98/665005998.db2.gz LFHGQWGLJOWUFU-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000993816541 665006001 /nfs/dbraw/zinc/00/60/01/665006001.db2.gz LFHGQWGLJOWUFU-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(NCC1CN(C[C@H]2CCCCO2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675193 665283230 /nfs/dbraw/zinc/28/32/30/665283230.db2.gz YSFFIONXDXUQKH-IAGOWNOFSA-N 1 3 321.465 0.945 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000998083512 665397284 /nfs/dbraw/zinc/39/72/84/665397284.db2.gz VOTNIYMTOYPQEH-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941566690 666023998 /nfs/dbraw/zinc/02/39/98/666023998.db2.gz JIQNMXNBXRBQAZ-OAHLLOKOSA-N 1 3 320.481 0.709 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941566690 666024000 /nfs/dbraw/zinc/02/40/00/666024000.db2.gz JIQNMXNBXRBQAZ-OAHLLOKOSA-N 1 3 320.481 0.709 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](C[C@H](C)O)CC1 ZINC001001473120 666057107 /nfs/dbraw/zinc/05/71/07/666057107.db2.gz WTKGEMIRQYNXCM-GOEBONIOSA-N 1 3 309.454 0.990 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](C[C@H](C)O)CC1 ZINC001001473120 666057109 /nfs/dbraw/zinc/05/71/09/666057109.db2.gz WTKGEMIRQYNXCM-GOEBONIOSA-N 1 3 309.454 0.990 20 0 DCADHO CN(C)Cc1ccoc1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001001770469 666100567 /nfs/dbraw/zinc/10/05/67/666100567.db2.gz UTQQFXYPMJRPRK-UHFFFAOYSA-N 1 3 322.409 0.268 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032053087 666226987 /nfs/dbraw/zinc/22/69/87/666226987.db2.gz NXGAXGFPFZXFSE-CYBMUJFWSA-N 1 3 305.422 0.791 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)CCC1 ZINC000946621113 666554725 /nfs/dbraw/zinc/55/47/25/666554725.db2.gz KTQCSGUFJZZVFF-OKILXGFUSA-N 1 3 322.453 0.126 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)CCC1 ZINC000946621113 666554726 /nfs/dbraw/zinc/55/47/26/666554726.db2.gz KTQCSGUFJZZVFF-OKILXGFUSA-N 1 3 322.453 0.126 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996379415 666778589 /nfs/dbraw/zinc/77/85/89/666778589.db2.gz LYQZNLADVGEXFN-UONOGXRCSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996379415 666778591 /nfs/dbraw/zinc/77/85/91/666778591.db2.gz LYQZNLADVGEXFN-UONOGXRCSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000996438221 666785565 /nfs/dbraw/zinc/78/55/65/666785565.db2.gz YCSQEZXNZVAIDP-CJNGLKHVSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000996438221 666785566 /nfs/dbraw/zinc/78/55/66/666785566.db2.gz YCSQEZXNZVAIDP-CJNGLKHVSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cnns2)CC1)N(C)C ZINC000996711046 666869000 /nfs/dbraw/zinc/86/90/00/666869000.db2.gz IRTKAJRGMQZDQT-CYBMUJFWSA-N 1 3 311.455 0.959 20 0 DCADHO Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000996731180 666882920 /nfs/dbraw/zinc/88/29/20/666882920.db2.gz VLAQCWJVDGIASH-HNNXBMFYSA-N 1 3 319.453 0.985 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861571616 666945855 /nfs/dbraw/zinc/94/58/55/666945855.db2.gz FYCDBEANTAOZLI-BFHYXJOUSA-N 1 3 308.426 0.433 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@@H]2NCCc3ccccc32)CCOCC1 ZINC000861643278 666953190 /nfs/dbraw/zinc/95/31/90/666953190.db2.gz BMSSKFPCSJYIOJ-HNNXBMFYSA-N 1 3 318.421 0.681 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000996980252 667050728 /nfs/dbraw/zinc/05/07/28/667050728.db2.gz XAQASQIUJZFYJS-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997003552 667071803 /nfs/dbraw/zinc/07/18/03/667071803.db2.gz BVMCLICWRIZKBF-LBPRGKRZSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997003552 667071804 /nfs/dbraw/zinc/07/18/04/667071804.db2.gz BVMCLICWRIZKBF-LBPRGKRZSA-N 1 3 323.466 0.961 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997042264 667086500 /nfs/dbraw/zinc/08/65/00/667086500.db2.gz ONBACDJMLUVMKY-ZDUSSCGKSA-N 1 3 306.410 0.959 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034658802 667093753 /nfs/dbraw/zinc/09/37/53/667093753.db2.gz GXRPPFKSCWCDOI-ZQDZILKHSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1)C(N)=O ZINC001034704244 667114777 /nfs/dbraw/zinc/11/47/77/667114777.db2.gz MDYGJQIFSYJISP-IHRRRGAJSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034796780 667149770 /nfs/dbraw/zinc/14/97/70/667149770.db2.gz MTOJGCMAOIHQIM-YXSUXZIUSA-N 1 3 310.442 0.362 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCN(C)C2=O)CCC1 ZINC001034957170 667198385 /nfs/dbraw/zinc/19/83/85/667198385.db2.gz LETDHOITOGCERL-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034998685 667211378 /nfs/dbraw/zinc/21/13/78/667211378.db2.gz NMFMHYKMBOJVNY-DGNOSDGRSA-N 1 3 307.438 0.839 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997188222 667213590 /nfs/dbraw/zinc/21/35/90/667213590.db2.gz YXXXPSRMHJJRKN-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997188222 667213591 /nfs/dbraw/zinc/21/35/91/667213591.db2.gz YXXXPSRMHJJRKN-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNCc1cnnn1C)[NH+](C)C ZINC001035039800 667223419 /nfs/dbraw/zinc/22/34/19/667223419.db2.gz LXRQXEQHRGWRRZ-UKRRQHHQSA-N 1 3 322.457 0.482 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997367651 667261451 /nfs/dbraw/zinc/26/14/51/667261451.db2.gz LJNXNZGUWHLKDX-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000997394444 667285500 /nfs/dbraw/zinc/28/55/00/667285500.db2.gz WTTRKDHMNLWTGW-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC000997394444 667285503 /nfs/dbraw/zinc/28/55/03/667285503.db2.gz WTTRKDHMNLWTGW-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000997608255 667347125 /nfs/dbraw/zinc/34/71/25/667347125.db2.gz SUNWUXYMDCQUFW-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO COc1ccc([C@@H](C[NH3+])CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000866702095 667388480 /nfs/dbraw/zinc/38/84/80/667388480.db2.gz UVJISHMSPSBKNS-AEGPPILISA-N 1 3 317.389 0.284 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCn1cccn1 ZINC001036194414 667429371 /nfs/dbraw/zinc/42/93/71/667429371.db2.gz PNXMYGZVYGRJPR-UKRRQHHQSA-N 1 3 316.409 0.676 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@@H]1C ZINC000923199015 667474463 /nfs/dbraw/zinc/47/44/63/667474463.db2.gz LTHKDLVLNVTNPV-MELADBBJSA-N 1 3 300.447 0.593 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@@H]1C ZINC000923199015 667474465 /nfs/dbraw/zinc/47/44/65/667474465.db2.gz LTHKDLVLNVTNPV-MELADBBJSA-N 1 3 300.447 0.593 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@H]1C ZINC000923199012 667474486 /nfs/dbraw/zinc/47/44/86/667474486.db2.gz LTHKDLVLNVTNPV-HZSPNIEDSA-N 1 3 300.447 0.593 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@H]1C ZINC000923199012 667474488 /nfs/dbraw/zinc/47/44/88/667474488.db2.gz LTHKDLVLNVTNPV-HZSPNIEDSA-N 1 3 300.447 0.593 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223804 667503328 /nfs/dbraw/zinc/50/33/28/667503328.db2.gz YXWUDIBZWUTLCB-IMJJTQAJSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223804 667503331 /nfs/dbraw/zinc/50/33/31/667503331.db2.gz YXWUDIBZWUTLCB-IMJJTQAJSA-N 1 3 305.422 0.987 20 0 DCADHO O[C@H](COc1ccccc1F)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923364615 667516290 /nfs/dbraw/zinc/51/62/90/667516290.db2.gz BZBIJTFQMHNELH-GJZGRUSLSA-N 1 3 323.412 0.545 20 0 DCADHO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923375945 667520067 /nfs/dbraw/zinc/52/00/67/667520067.db2.gz SHKUFYJHQFBGHK-GJZGRUSLSA-N 1 3 311.430 0.551 20 0 DCADHO CCCCOC[C@@H](O)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923375945 667520071 /nfs/dbraw/zinc/52/00/71/667520071.db2.gz SHKUFYJHQFBGHK-GJZGRUSLSA-N 1 3 311.430 0.551 20 0 DCADHO C[C@@H](CN1CCC2(CO[C@H](C[NH3+])C2)CC1)CS(C)(=O)=O ZINC000923448724 667534697 /nfs/dbraw/zinc/53/46/97/667534697.db2.gz GSYJOCBMJISCKI-STQMWFEESA-N 1 3 304.456 0.497 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923496488 667545543 /nfs/dbraw/zinc/54/55/43/667545543.db2.gz ADRPYYLYOCHZPF-TZMCWYRMSA-N 1 3 311.426 0.315 20 0 DCADHO COC(=O)[C@@H]1CCN(CCOCC[NH3+])[C@H]([C@@H]2CCCO2)C1 ZINC000923554308 667560090 /nfs/dbraw/zinc/56/00/90/667560090.db2.gz MRUGKNJRXOLVNL-RDBSUJKOSA-N 1 3 300.399 0.394 20 0 DCADHO CCCCN1CCCC[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923600629 667593604 /nfs/dbraw/zinc/59/36/04/667593604.db2.gz AGTNQNRTFYYQGR-AWEZNQCLSA-N 1 3 318.487 0.381 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884787528 667607222 /nfs/dbraw/zinc/60/72/22/667607222.db2.gz VCIWIAFRTOILPM-IHRRRGAJSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884786105 667607376 /nfs/dbraw/zinc/60/73/76/667607376.db2.gz JZBNRIGAQIOMLQ-QLFBSQMISA-N 1 3 324.469 0.276 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009223 667634480 /nfs/dbraw/zinc/63/44/80/667634480.db2.gz NQAWLAKULGYCHI-BTTYYORXSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000838301252 667684983 /nfs/dbraw/zinc/68/49/83/667684983.db2.gz AIZWZCXWDNSNRL-JYJNAYRXSA-N 1 3 324.469 0.974 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000838301252 667684985 /nfs/dbraw/zinc/68/49/85/667684985.db2.gz AIZWZCXWDNSNRL-JYJNAYRXSA-N 1 3 324.469 0.974 20 0 DCADHO COC(=O)CC(C)(C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000839523549 667750163 /nfs/dbraw/zinc/75/01/63/667750163.db2.gz QNGIKVIXBZSNIR-UHFFFAOYSA-N 1 3 313.442 0.907 20 0 DCADHO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccnn1-c1ccncc1 ZINC000886293840 667752266 /nfs/dbraw/zinc/75/22/66/667752266.db2.gz WDEJWLAPAYJIAP-RISCZKNCSA-N 1 3 306.391 0.790 20 0 DCADHO O=C(NC[C@H]1CNCCO1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870946566 667776913 /nfs/dbraw/zinc/77/69/13/667776913.db2.gz SIRNLFXXCULJKI-LLVKDONJSA-N 1 3 310.423 0.328 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000886600205 667781018 /nfs/dbraw/zinc/78/10/18/667781018.db2.gz OXRSMAXGSBQQHS-HZPDHXFCSA-N 1 3 309.454 0.896 20 0 DCADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000743860367 667817788 /nfs/dbraw/zinc/81/77/88/667817788.db2.gz BVMLHODXTVHKMS-SJORKVTESA-N 1 3 311.470 0.630 20 0 DCADHO O[C@@H](CN1CCCC1)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000743860367 667817793 /nfs/dbraw/zinc/81/77/93/667817793.db2.gz BVMLHODXTVHKMS-SJORKVTESA-N 1 3 311.470 0.630 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@@H]([C@@H]3CCCO3)C2)C1=O ZINC000887306136 667867904 /nfs/dbraw/zinc/86/79/04/667867904.db2.gz KGQWCEZTUPYOJC-ILXRZTDVSA-N 1 3 323.437 0.567 20 0 DCADHO CCN(CC)CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872256048 667883180 /nfs/dbraw/zinc/88/31/80/667883180.db2.gz LENSUBWPNMZRTG-KGLIPLIRSA-N 1 3 324.425 0.112 20 0 DCADHO CC(C)(C)[C@H](N)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872264084 667884280 /nfs/dbraw/zinc/88/42/80/667884280.db2.gz KBBOTSYTCJFQNH-FRRDWIJNSA-N 1 3 324.425 0.143 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC000874274154 668166055 /nfs/dbraw/zinc/16/60/55/668166055.db2.gz RXXWDVLCEKTWMC-CQSZACIVSA-N 1 3 308.426 0.023 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC000874274154 668166057 /nfs/dbraw/zinc/16/60/57/668166057.db2.gz RXXWDVLCEKTWMC-CQSZACIVSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[N@H+](C)C1CC1 ZINC000875170368 668271497 /nfs/dbraw/zinc/27/14/97/668271497.db2.gz ISIYZNWMQVDPPV-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[N@@H+](C)C1CC1 ZINC000875170368 668271500 /nfs/dbraw/zinc/27/15/00/668271500.db2.gz ISIYZNWMQVDPPV-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(OCC(N)=O)c1 ZINC000925162474 668278016 /nfs/dbraw/zinc/27/80/16/668278016.db2.gz VIGAFESIJPNSSH-VMZNBEPHSA-N 1 3 303.406 0.981 20 0 DCADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(OCC(N)=O)c1 ZINC000925162474 668278018 /nfs/dbraw/zinc/27/80/18/668278018.db2.gz VIGAFESIJPNSSH-VMZNBEPHSA-N 1 3 303.406 0.981 20 0 DCADHO CN1CCN(C(=O)CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925493028 668324552 /nfs/dbraw/zinc/32/45/52/668324552.db2.gz VGHSLKULDCOVEP-IAGOWNOFSA-N 1 3 322.497 0.908 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000875460588 668325456 /nfs/dbraw/zinc/32/54/56/668325456.db2.gz YZAXLGUFIKDNBP-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000875460588 668325460 /nfs/dbraw/zinc/32/54/60/668325460.db2.gz YZAXLGUFIKDNBP-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CN1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925565857 668329460 /nfs/dbraw/zinc/32/94/60/668329460.db2.gz ALCOANLLSULOCX-MKRQOHASSA-N 1 3 306.454 0.125 20 0 DCADHO CN(C)C(=O)CN1CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925565859 668329505 /nfs/dbraw/zinc/32/95/05/668329505.db2.gz ALCOANLLSULOCX-SAYFZHNOSA-N 1 3 306.454 0.125 20 0 DCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788761 668348881 /nfs/dbraw/zinc/34/88/81/668348881.db2.gz LHTRMLSBMAPHJC-MQYQWHSLSA-N 1 3 315.483 0.129 20 0 DCADHO CN(C)C1(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)CCC1 ZINC000763014319 668390881 /nfs/dbraw/zinc/39/08/81/668390881.db2.gz TUIZHFJTPIYJJE-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926383760 668401626 /nfs/dbraw/zinc/40/16/26/668401626.db2.gz VUJJIGHNAGXHHM-YOEHRIQHSA-N 1 3 322.453 0.284 20 0 DCADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)CN(C)C)Cc1ccccc1 ZINC000876722524 668496204 /nfs/dbraw/zinc/49/62/04/668496204.db2.gz XJNUEBAHIFUSHH-SJORKVTESA-N 1 3 320.481 0.945 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000876730984 668497864 /nfs/dbraw/zinc/49/78/64/668497864.db2.gz MSGZHVKNXANUKZ-LJISPDSOSA-N 1 3 315.433 0.940 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000876768706 668506662 /nfs/dbraw/zinc/50/66/62/668506662.db2.gz LKXSQHDEAQRRIC-AWEZNQCLSA-N 1 3 305.426 0.969 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876780323 668509601 /nfs/dbraw/zinc/50/96/01/668509601.db2.gz FDAAOSREQWZBAY-UWUBPMADSA-N 1 3 308.470 0.684 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876782411 668510166 /nfs/dbraw/zinc/51/01/66/668510166.db2.gz QDYIOIJIXMAMIX-DOMZBBRYSA-N 1 3 321.400 0.720 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000927852577 668516178 /nfs/dbraw/zinc/51/61/78/668516178.db2.gz BKUYGARWXYZGBG-AWEZNQCLSA-N 1 3 318.421 0.882 20 0 DCADHO C[C@@]1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC[NH2+]C1 ZINC000877207573 668577021 /nfs/dbraw/zinc/57/70/21/668577021.db2.gz BKXAEMBNIUJVCT-MRXNPFEDSA-N 1 3 314.393 0.342 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877343338 668605413 /nfs/dbraw/zinc/60/54/13/668605413.db2.gz KRXNSZDYILUPOM-ZIAGYGMSSA-N 1 3 305.378 0.098 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346470 668606229 /nfs/dbraw/zinc/60/62/29/668606229.db2.gz LBAHENOPZKFLIC-JKSUJKDBSA-N 1 3 303.406 0.586 20 0 DCADHO CC(C)(O)CN1CC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000877665243 668637803 /nfs/dbraw/zinc/63/78/03/668637803.db2.gz NQKVPCVMWZIYLS-HNNXBMFYSA-N 1 3 313.486 0.657 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)CC1 ZINC000879417563 669032133 /nfs/dbraw/zinc/03/21/33/669032133.db2.gz BJUGUXNSTKTGIV-JYJNAYRXSA-N 1 3 309.454 0.822 20 0 DCADHO Cc1cccc(NCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000783650682 669166874 /nfs/dbraw/zinc/16/68/74/669166874.db2.gz RROPGDQGFZCARE-ZDUSSCGKSA-N 1 3 306.410 0.886 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000931567501 669223796 /nfs/dbraw/zinc/22/37/96/669223796.db2.gz SSOVKTXEZDZIAE-BETUJISGSA-N 1 3 306.414 0.470 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000931567501 669223800 /nfs/dbraw/zinc/22/38/00/669223800.db2.gz SSOVKTXEZDZIAE-BETUJISGSA-N 1 3 306.414 0.470 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000934897249 669652420 /nfs/dbraw/zinc/65/24/20/669652420.db2.gz ZDXJNGMDGPDDHL-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000883438731 669687851 /nfs/dbraw/zinc/68/78/51/669687851.db2.gz AXTXRSLXRDKGIA-CBBWQLFWSA-N 1 3 321.421 0.955 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCCCC1 ZINC000793721984 669738721 /nfs/dbraw/zinc/73/87/21/669738721.db2.gz UAIAATMOAUPCLA-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000811063855 670504800 /nfs/dbraw/zinc/50/48/00/670504800.db2.gz NUXXLOXOGXGBMU-CABCVRRESA-N 1 3 301.406 0.382 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000811063855 670504803 /nfs/dbraw/zinc/50/48/03/670504803.db2.gz NUXXLOXOGXGBMU-CABCVRRESA-N 1 3 301.406 0.382 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC000847408969 670549025 /nfs/dbraw/zinc/54/90/25/670549025.db2.gz OTMDLYNUYFAPPU-KBPBESRZSA-N 1 3 321.425 0.038 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000811874656 670553275 /nfs/dbraw/zinc/55/32/75/670553275.db2.gz FFMWEJKOONKSIX-ILXRZTDVSA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000811874656 670553277 /nfs/dbraw/zinc/55/32/77/670553277.db2.gz FFMWEJKOONKSIX-ILXRZTDVSA-N 1 3 312.458 0.878 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858449253 671005594 /nfs/dbraw/zinc/00/55/94/671005594.db2.gz XJYFXSHUKREWRS-OAHLLOKOSA-N 1 3 304.394 0.317 20 0 DCADHO CN(CCN1C(=O)CNC1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214271 671083295 /nfs/dbraw/zinc/08/32/95/671083295.db2.gz HNVXOZVUNLBKEI-UHFFFAOYSA-N 1 3 304.394 0.732 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000852095418 671087043 /nfs/dbraw/zinc/08/70/43/671087043.db2.gz WOJWCKQFZOSXJS-PMPSAXMXSA-N 1 3 300.443 0.597 20 0 DCADHO C[C@@H]1CCCN1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000852824136 671168035 /nfs/dbraw/zinc/16/80/35/671168035.db2.gz QHOOGNTZJKTRML-GFCCVEGCSA-N 1 3 306.414 0.417 20 0 DCADHO O=C(C=C1CC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000852868653 671180134 /nfs/dbraw/zinc/18/01/34/671180134.db2.gz UCGJJQLKHBNCFC-UHFFFAOYSA-N 1 3 307.438 0.867 20 0 DCADHO Cc1cc([C@H](N)CC(=O)N2CCO[C@H](C[NH3+])C2)cc(Cl)n1 ZINC000834528384 671769739 /nfs/dbraw/zinc/76/97/39/671769739.db2.gz DUOWBLWIMVUXRU-VXGBXAGGSA-N 1 3 312.801 0.619 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841790313 671955463 /nfs/dbraw/zinc/95/54/63/671955463.db2.gz CUIIRPUUKPCZQN-RBSFLKMASA-N 1 3 308.426 0.386 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)N1CCCCC1 ZINC000842014492 671973861 /nfs/dbraw/zinc/97/38/61/671973861.db2.gz CIXYUCRLIDTBCB-CQSZACIVSA-N 1 3 322.453 0.403 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842193887 671992326 /nfs/dbraw/zinc/99/23/26/671992326.db2.gz GWCYDPFSXQHXPD-YMAMQOFZSA-N 1 3 324.469 0.705 20 0 DCADHO CCN1C[C@H](CN(C)CCC[N@H+](C)CCN(C)C)OC1=O ZINC000846906671 672352310 /nfs/dbraw/zinc/35/23/10/672352310.db2.gz QQHXJGJAGKNEAD-AWEZNQCLSA-N 1 3 300.447 0.642 20 0 DCADHO CCN1C[C@H](CN(C)CCC[N@@H+](C)CCN(C)C)OC1=O ZINC000846906671 672352316 /nfs/dbraw/zinc/35/23/16/672352316.db2.gz QQHXJGJAGKNEAD-AWEZNQCLSA-N 1 3 300.447 0.642 20 0 DCADHO CC(C)(C[NH3+])CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001648969625 1158196817 /nfs/dbraw/zinc/19/68/17/1158196817.db2.gz AFTHQWRENBOBQQ-UHFFFAOYSA-N 1 3 310.442 0.128 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CNCc2ccccc21 ZINC000390129491 685259224 /nfs/dbraw/zinc/25/92/24/685259224.db2.gz BMHNIYIVKYRGKL-UXLLHSPISA-N 1 3 315.417 0.853 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CNCc2ccccc21 ZINC000390129491 685259229 /nfs/dbraw/zinc/25/92/29/685259229.db2.gz BMHNIYIVKYRGKL-UXLLHSPISA-N 1 3 315.417 0.853 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000390129491 685259234 /nfs/dbraw/zinc/25/92/34/685259234.db2.gz BMHNIYIVKYRGKL-UXLLHSPISA-N 1 3 315.417 0.853 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001024264191 693805882 /nfs/dbraw/zinc/80/58/82/693805882.db2.gz NDSFAQWRTQHOCP-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001024264191 693805885 /nfs/dbraw/zinc/80/58/85/693805885.db2.gz NDSFAQWRTQHOCP-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC000960151726 688311833 /nfs/dbraw/zinc/31/18/33/688311833.db2.gz SNWVLJUMVNTVPI-ZFWWWQNUSA-N 1 3 306.410 0.959 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)C1 ZINC000960327147 688351283 /nfs/dbraw/zinc/35/12/83/688351283.db2.gz MZXRMQZSTYSKBI-MZMPZRCHSA-N 1 3 317.433 0.692 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)C1 ZINC000960327147 688351286 /nfs/dbraw/zinc/35/12/86/688351286.db2.gz MZXRMQZSTYSKBI-MZMPZRCHSA-N 1 3 317.433 0.692 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039161692 694314975 /nfs/dbraw/zinc/31/49/75/694314975.db2.gz LQEJXDVJLFDYFM-AWEZNQCLSA-N 1 3 306.410 0.505 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001039161692 694314979 /nfs/dbraw/zinc/31/49/79/694314979.db2.gz LQEJXDVJLFDYFM-AWEZNQCLSA-N 1 3 306.410 0.505 20 0 DCADHO O=C(CN1CCCC1)N1CCC([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039173219 694317032 /nfs/dbraw/zinc/31/70/32/694317032.db2.gz QMLKHBYJLOPGAZ-MRXNPFEDSA-N 1 3 309.454 0.635 20 0 DCADHO O=C(CN1CCCC1)N1CCC([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001039173219 694317037 /nfs/dbraw/zinc/31/70/37/694317037.db2.gz QMLKHBYJLOPGAZ-MRXNPFEDSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CCCO)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967202571 689957565 /nfs/dbraw/zinc/95/75/65/689957565.db2.gz BZVIQPPUVNKBED-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO COc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)ccn1 ZINC000967925818 690125177 /nfs/dbraw/zinc/12/51/77/690125177.db2.gz RWXNBYVTBMKSDE-HUUCEWRRSA-N 1 3 318.421 0.875 20 0 DCADHO NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000968676271 690364034 /nfs/dbraw/zinc/36/40/34/690364034.db2.gz IAMJWOPNMFNBBJ-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968676271 690364038 /nfs/dbraw/zinc/36/40/38/690364038.db2.gz IAMJWOPNMFNBBJ-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1)C1CC1 ZINC000968912198 690422607 /nfs/dbraw/zinc/42/26/07/690422607.db2.gz CBDSKHIBIYCZTM-GDBMZVCRSA-N 1 3 319.453 0.493 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1)C1CC1 ZINC000968912679 690423352 /nfs/dbraw/zinc/42/33/52/690423352.db2.gz OWIPAWKVXPIMDU-HUUCEWRRSA-N 1 3 305.426 0.414 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC000969074414 690463564 /nfs/dbraw/zinc/46/35/64/690463564.db2.gz CHFSUHMGYKUZNU-HZSPNIEDSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC000969074415 690464155 /nfs/dbraw/zinc/46/41/55/690464155.db2.gz CHFSUHMGYKUZNU-MGPQQGTHSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](O)CN1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007622304 690716711 /nfs/dbraw/zinc/71/67/11/690716711.db2.gz UPXCMFBUDBHMCC-GJZGRUSLSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](O)CN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713248 692412398 /nfs/dbraw/zinc/41/23/98/692412398.db2.gz LDPLXPDOMZSBBN-WMLDXEAASA-N 1 3 319.449 0.976 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004511 692545183 /nfs/dbraw/zinc/54/51/83/692545183.db2.gz YFQUOCSEBCSRSW-AWEZNQCLSA-N 1 3 317.437 0.249 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCOCC2)C1)C1CC1 ZINC001018966479 693300159 /nfs/dbraw/zinc/30/01/59/693300159.db2.gz JTYODEBKQHPHNG-HOTGVXAUSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001019032051 693329779 /nfs/dbraw/zinc/32/97/79/693329779.db2.gz CHFSUHMGYKUZNU-BFHYXJOUSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001019032020 693329794 /nfs/dbraw/zinc/32/97/94/693329794.db2.gz AIOWFVMFDBIHQQ-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1)[NH+]1CCCC1 ZINC001019230109 693399650 /nfs/dbraw/zinc/39/96/50/693399650.db2.gz QRPLGMFMZDUFGX-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1=O ZINC001019386148 693457810 /nfs/dbraw/zinc/45/78/10/693457810.db2.gz FOJWBBTUUNWAFG-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019386069 693457943 /nfs/dbraw/zinc/45/79/43/693457943.db2.gz AQJFUSFGEBLUIP-SWLSCSKDSA-N 1 3 301.406 0.382 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCO)CC2)N(C)C ZINC001040735583 694602295 /nfs/dbraw/zinc/60/22/95/694602295.db2.gz SUFQKJLJKHGNAC-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCCF)CCCO2)CC[N@@H+]1C ZINC001073610881 694751808 /nfs/dbraw/zinc/75/18/08/694751808.db2.gz HAEQZLCZULLEJH-RBSFLKMASA-N 1 3 315.433 0.893 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CCCF)CCCO2)CC[N@H+]1C ZINC001073610881 694751809 /nfs/dbraw/zinc/75/18/09/694751809.db2.gz HAEQZLCZULLEJH-RBSFLKMASA-N 1 3 315.433 0.893 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)C(N)=O ZINC001074687092 694917093 /nfs/dbraw/zinc/91/70/93/694917093.db2.gz VUYOAHWCKYGZRJ-YUTCNCBUSA-N 1 3 310.442 0.314 20 0 DCADHO CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001074755823 694920685 /nfs/dbraw/zinc/92/06/85/694920685.db2.gz ZOGWUIKTTLZDLT-JOYVLCIYSA-N 1 3 307.438 0.837 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC[C@@H]2CCOC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001074918414 694930435 /nfs/dbraw/zinc/93/04/35/694930435.db2.gz OEYNPCHRLCYQFB-GUTXKFCHSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)CN1CCC(C)CC1 ZINC001074993606 694933896 /nfs/dbraw/zinc/93/38/96/694933896.db2.gz PLSSTPVSWJNRBT-KKUMJFAQSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042202 694935732 /nfs/dbraw/zinc/93/57/32/694935732.db2.gz BHQCCULJWJULLO-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075042202 694935733 /nfs/dbraw/zinc/93/57/33/694935733.db2.gz BHQCCULJWJULLO-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106937 694938467 /nfs/dbraw/zinc/93/84/67/694938467.db2.gz PLPOLVUNWZBYKY-GUTXKFCHSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106937 694938468 /nfs/dbraw/zinc/93/84/68/694938468.db2.gz PLPOLVUNWZBYKY-GUTXKFCHSA-N 1 3 305.426 0.451 20 0 DCADHO CCn1nncc1CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075107129 694938565 /nfs/dbraw/zinc/93/85/65/694938565.db2.gz RKZUJSYKGCQMGT-YDHLFZDLSA-N 1 3 320.441 0.329 20 0 DCADHO CCn1nncc1CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075107129 694938566 /nfs/dbraw/zinc/93/85/66/694938566.db2.gz RKZUJSYKGCQMGT-YDHLFZDLSA-N 1 3 320.441 0.329 20 0 DCADHO CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC12CCOCC2 ZINC001075438259 694951422 /nfs/dbraw/zinc/95/14/22/694951422.db2.gz UOQQYZPQNGGAOM-CYBMUJFWSA-N 1 3 306.410 0.817 20 0 DCADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076083780 694997633 /nfs/dbraw/zinc/99/76/33/694997633.db2.gz QZJKGFUSFVIGHS-ARFHVFGLSA-N 1 3 307.438 0.386 20 0 DCADHO CCC(CC)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001076713161 695040064 /nfs/dbraw/zinc/04/00/64/695040064.db2.gz NFCQQEOQZDKGRD-CHWSQXEVSA-N 1 3 308.382 0.393 20 0 DCADHO CCC(CC)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001076713161 695040065 /nfs/dbraw/zinc/04/00/65/695040065.db2.gz NFCQQEOQZDKGRD-CHWSQXEVSA-N 1 3 308.382 0.393 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]C/C=C\Cl)CC1 ZINC001570418910 1162509788 /nfs/dbraw/zinc/50/97/88/1162509788.db2.gz GAOKMRVTXMJDTA-RBWDJNPFSA-N 1 3 315.845 0.776 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001571582414 1162826498 /nfs/dbraw/zinc/82/64/98/1162826498.db2.gz FWIYEMYDYUIZHF-CYBMUJFWSA-N 1 3 301.406 0.241 20 0 DCADHO COCC1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001649283750 1157430086 /nfs/dbraw/zinc/43/00/86/1157430086.db2.gz WQIPWQNWKRDVCI-UHFFFAOYSA-N 1 3 324.469 0.833 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001745875834 1158166178 /nfs/dbraw/zinc/16/61/78/1158166178.db2.gz WFZQRFAVHHXSNI-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC1(C)CC([NH2+]CC2(O)CCS(=O)(=O)CC2)CC(C)(C)N1 ZINC001771740326 1158243489 /nfs/dbraw/zinc/24/34/89/1158243489.db2.gz DAZSLTCWYPBFPB-UHFFFAOYSA-N 1 3 318.483 0.825 20 0 DCADHO CC1(C)CC(NCC2(O)CCS(=O)(=O)CC2)CC(C)(C)[NH2+]1 ZINC001771740326 1158243495 /nfs/dbraw/zinc/24/34/95/1158243495.db2.gz DAZSLTCWYPBFPB-UHFFFAOYSA-N 1 3 318.483 0.825 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C34CCC(CC3)[NH2+]4)C2)nn1 ZINC001649007434 1158412281 /nfs/dbraw/zinc/41/22/81/1158412281.db2.gz KYRVEBNAVYAMCL-GLWUULTISA-N 1 3 304.398 0.185 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)[C@H]1[NH2+]CC12CCOCC2 ZINC001649051341 1158624547 /nfs/dbraw/zinc/62/45/47/1158624547.db2.gz RWOOOJONBHWFTP-HZPDHXFCSA-N 1 3 315.417 0.586 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001649051736 1158624840 /nfs/dbraw/zinc/62/48/40/1158624840.db2.gz ZRZTWCBSWAMDRX-NUJGCVRESA-N 1 3 315.417 0.443 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001649062544 1158629537 /nfs/dbraw/zinc/62/95/37/1158629537.db2.gz OKTFLVIAQRVTDF-IXDOHACOSA-N 1 3 320.481 0.898 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001649088216 1158635981 /nfs/dbraw/zinc/63/59/81/1158635981.db2.gz JYFHPZOMNJUQIX-HZPDHXFCSA-N 1 3 304.438 0.643 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC001649148650 1158816597 /nfs/dbraw/zinc/81/65/97/1158816597.db2.gz RQLBYTDPIMRMCC-AWEZNQCLSA-N 1 3 305.426 0.562 20 0 DCADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001649157226 1158835254 /nfs/dbraw/zinc/83/52/54/1158835254.db2.gz LWOUTMJUZRVOBC-YLFCFFPRSA-N 1 3 321.465 0.680 20 0 DCADHO CN(CC1CN(C)C1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001771770673 1158867563 /nfs/dbraw/zinc/86/75/63/1158867563.db2.gz ACROMNDWCDCOJF-JKSUJKDBSA-N 1 3 319.453 0.475 20 0 DCADHO CN(CC1CN(C)C1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001771770673 1158867574 /nfs/dbraw/zinc/86/75/74/1158867574.db2.gz ACROMNDWCDCOJF-JKSUJKDBSA-N 1 3 319.453 0.475 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC001397584562 1159222770 /nfs/dbraw/zinc/22/27/70/1159222770.db2.gz VXIHZFDEKJZBRB-DZGCQCFKSA-N 1 3 314.474 0.534 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001447207388 1159599639 /nfs/dbraw/zinc/59/96/39/1159599639.db2.gz QQBQICQKTSAIPU-ZDUSSCGKSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001447207388 1159599644 /nfs/dbraw/zinc/59/96/44/1159599644.db2.gz QQBQICQKTSAIPU-ZDUSSCGKSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCC1CCC1 ZINC001447552357 1159658345 /nfs/dbraw/zinc/65/83/45/1159658345.db2.gz WZFILEOENHMVOZ-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCCC1 ZINC001448219477 1159723969 /nfs/dbraw/zinc/72/39/69/1159723969.db2.gz BWJBWUDNCWYFJN-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(C)C1=O ZINC001566563630 1160064205 /nfs/dbraw/zinc/06/42/05/1160064205.db2.gz BGHCYXNZEQJUOU-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)n1 ZINC001567560573 1160420761 /nfs/dbraw/zinc/42/07/61/1160420761.db2.gz JVGBOJACUXDMBK-CQSZACIVSA-N 1 3 321.469 0.890 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCC(=O)N1CCC1 ZINC001567610468 1160439786 /nfs/dbraw/zinc/43/97/86/1160439786.db2.gz BDMGQHPBTLJLLZ-OKILXGFUSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCC(=O)N1CCC1 ZINC001567610468 1160439789 /nfs/dbraw/zinc/43/97/89/1160439789.db2.gz BDMGQHPBTLJLLZ-OKILXGFUSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O ZINC001568153280 1160586948 /nfs/dbraw/zinc/58/69/48/1160586948.db2.gz PUTAGTSYHGJJMG-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl)CC(C)(C)C ZINC001568580340 1160692917 /nfs/dbraw/zinc/69/29/17/1160692917.db2.gz VHSWBIGATJTDDV-FJOGCWAESA-N 1 3 305.850 0.784 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)Cc1c[nH]cn1 ZINC001568778550 1160770909 /nfs/dbraw/zinc/77/09/09/1160770909.db2.gz DHYCWSAIYHIOJJ-CYBMUJFWSA-N 1 3 321.425 0.307 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCN1CCCC1=O ZINC001568826357 1160791941 /nfs/dbraw/zinc/79/19/41/1160791941.db2.gz AKYWNIIGPMEOCF-XYBNCVKDSA-N 1 3 322.453 0.355 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001568827185 1160792826 /nfs/dbraw/zinc/79/28/26/1160792826.db2.gz KSRUPGXVBSNOLC-LMZQTDFCSA-N 1 3 323.359 0.656 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(N)=O ZINC001568970227 1160904978 /nfs/dbraw/zinc/90/49/78/1160904978.db2.gz VPZPBIWOIGIASL-KFBXHMBNSA-N 1 3 310.442 0.387 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(N)=O ZINC001568970227 1160904980 /nfs/dbraw/zinc/90/49/80/1160904980.db2.gz VPZPBIWOIGIASL-KFBXHMBNSA-N 1 3 310.442 0.387 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)ccc1=O ZINC001573864161 1163571595 /nfs/dbraw/zinc/57/15/95/1163571595.db2.gz VCBRPDDJGFNRIS-CZUORRHYSA-N 1 3 304.394 0.348 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC([C@H]3C[C@H]3[NH3+])CC2)C1=O ZINC001573921277 1163587200 /nfs/dbraw/zinc/58/72/00/1163587200.db2.gz CRILINAIEQEEBF-MCIONIFRSA-N 1 3 309.410 0.210 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)CN(C)C1CCC1)[NH+](C)C ZINC001575371314 1163991810 /nfs/dbraw/zinc/99/18/10/1163991810.db2.gz AVQUEZSSPLOEQI-OAHLLOKOSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CC(=O)N1CCN(CCN(C)C)C(=O)C1)[C@@H]1CCC[NH2+]C1 ZINC001575920112 1164185461 /nfs/dbraw/zinc/18/54/61/1164185461.db2.gz CDRBAAWYTQNMMK-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1O)N(C)Cc1ccccc1 ZINC001576021620 1164214565 /nfs/dbraw/zinc/21/45/65/1164214565.db2.gz GSBCCQSFSFKEPU-KBMXLJTQSA-N 1 3 320.437 0.529 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNCc2cn[nH]n2)CC1 ZINC001576877218 1164510472 /nfs/dbraw/zinc/51/04/72/1164510472.db2.gz CMCXQGZGXCYELK-OAHLLOKOSA-N 1 3 320.441 0.617 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNCc2c[nH]nn2)CC1 ZINC001576877218 1164510481 /nfs/dbraw/zinc/51/04/81/1164510481.db2.gz CMCXQGZGXCYELK-OAHLLOKOSA-N 1 3 320.441 0.617 20 0 DCADHO CC[C@H](C)N[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccco1 ZINC001577004549 1164579097 /nfs/dbraw/zinc/57/90/97/1164579097.db2.gz WQVCIDSEVHYGMR-RYUDHWBXSA-N 1 3 320.397 0.689 20 0 DCADHO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001578530842 1165047215 /nfs/dbraw/zinc/04/72/15/1165047215.db2.gz UDXMEQLSFYSTLA-KBPBESRZSA-N 1 3 316.405 0.723 20 0 DCADHO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001578530842 1165047224 /nfs/dbraw/zinc/04/72/24/1165047224.db2.gz UDXMEQLSFYSTLA-KBPBESRZSA-N 1 3 316.405 0.723 20 0 DCADHO CN1CC[NH2+]C[C@H]1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC001578540188 1165052448 /nfs/dbraw/zinc/05/24/48/1165052448.db2.gz PLDOVWMDGFPANZ-CVEARBPZSA-N 1 3 318.421 0.095 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001578647228 1165077385 /nfs/dbraw/zinc/07/73/85/1165077385.db2.gz USTPFOVNFFKEQA-IIAWOOMASA-N 1 3 307.438 0.840 20 0 DCADHO CNC[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001578652163 1165080991 /nfs/dbraw/zinc/08/09/91/1165080991.db2.gz FQIHEAICMBVDEH-MRXNPFEDSA-N 1 3 305.422 0.803 20 0 DCADHO CNC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001578652163 1165080993 /nfs/dbraw/zinc/08/09/93/1165080993.db2.gz FQIHEAICMBVDEH-MRXNPFEDSA-N 1 3 305.422 0.803 20 0 DCADHO COC(=O)[C@]1(CNC[C@@H](C[NH3+])Cc2cnn(C)c2C)CCOC1 ZINC001578781062 1165107576 /nfs/dbraw/zinc/10/75/76/1165107576.db2.gz MANMJJUWKMKXSO-CJNGLKHVSA-N 1 3 324.425 0.015 20 0 DCADHO COC(=O)[C@]1(C[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CCOC1 ZINC001578781062 1165107580 /nfs/dbraw/zinc/10/75/80/1165107580.db2.gz MANMJJUWKMKXSO-CJNGLKHVSA-N 1 3 324.425 0.015 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC3(CC[NH2+]CC3)CC2)C1=O ZINC001578805161 1165122352 /nfs/dbraw/zinc/12/23/52/1165122352.db2.gz PAQGLOMZHLVTCV-AWEZNQCLSA-N 1 3 323.437 0.616 20 0 DCADHO COC(=O)[C@@H]1C[N@H+](C[C@@]2(O)CCCNC2)C[C@@H]1c1ccccc1 ZINC001578834886 1165135038 /nfs/dbraw/zinc/13/50/38/1165135038.db2.gz TWEYQSCJHFUJRL-JFIYKMOQSA-N 1 3 318.417 0.990 20 0 DCADHO COC(=O)[C@@H]1C[N@@H+](C[C@@]2(O)CCCNC2)C[C@@H]1c1ccccc1 ZINC001578834886 1165135045 /nfs/dbraw/zinc/13/50/45/1165135045.db2.gz TWEYQSCJHFUJRL-JFIYKMOQSA-N 1 3 318.417 0.990 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C[C@H]1C[NH3+] ZINC001579428992 1165305758 /nfs/dbraw/zinc/30/57/58/1165305758.db2.gz UQXIAAYBXUDIMG-RRCSTGOVSA-N 1 3 319.453 0.509 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001579500041 1165332750 /nfs/dbraw/zinc/33/27/50/1165332750.db2.gz PYUNKTBGGVRPGA-BEAPCOKYSA-N 1 3 305.426 0.322 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)N(C)C)cc1 ZINC001579667881 1165373425 /nfs/dbraw/zinc/37/34/25/1165373425.db2.gz WHYPUOJDTXNSOL-ZOBUZTSGSA-N 1 3 305.422 0.827 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)N3CCC([NH+]4CCC4)CC3)cc21 ZINC001580184778 1165530444 /nfs/dbraw/zinc/53/04/44/1165530444.db2.gz KBMPJAURCFPBAJ-ZDUSSCGKSA-N 1 3 303.410 0.987 20 0 DCADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC2(C[NH2+]C2)C1 ZINC001580484269 1165617212 /nfs/dbraw/zinc/61/72/12/1165617212.db2.gz WWFWSIWCYNFJOC-HNNXBMFYSA-N 1 3 300.406 0.725 20 0 DCADHO Nc1cc(CCCCNC(=O)CN2CCC(CO)CC2)cc[nH+]1 ZINC001608293825 1170643907 /nfs/dbraw/zinc/64/39/07/1170643907.db2.gz QJIPKFWGCFMQER-UHFFFAOYSA-N 1 3 320.437 0.807 20 0 DCADHO c1cc(-c2nnn[n-]2)cc2c1CC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC001609615145 1171047627 /nfs/dbraw/zinc/04/76/27/1171047627.db2.gz IETKNECDMRTSRR-HNNXBMFYSA-N 1 3 313.409 0.349 20 0 DCADHO c1cc(-c2nn[n-]n2)cc2c1CC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC001609615145 1171047633 /nfs/dbraw/zinc/04/76/33/1171047633.db2.gz IETKNECDMRTSRR-HNNXBMFYSA-N 1 3 313.409 0.349 20 0 DCADHO C[C@H]1CN(C(=O)CN(CC[NH3+])Cc2ccccc2)[C@@H](C)CN1 ZINC001645879763 1172169045 /nfs/dbraw/zinc/16/90/45/1172169045.db2.gz QVEVGSYSEXQDSU-GJZGRUSLSA-N 1 3 304.438 0.656 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001646570389 1172427398 /nfs/dbraw/zinc/42/73/98/1172427398.db2.gz PBWUKNMRLSHGBG-APIJFGDWSA-N 1 3 310.442 0.632 20 0 DCADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCN(CC2CCOCC2)CC1 ZINC001646570778 1172429156 /nfs/dbraw/zinc/42/91/56/1172429156.db2.gz UUZCCYJBYITZJR-ARFHVFGLSA-N 1 3 322.453 0.633 20 0 DCADHO [NH3+]CC[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001647576435 1172979332 /nfs/dbraw/zinc/97/93/32/1172979332.db2.gz RIIWIMKVDKSEKR-UKRRQHHQSA-N 1 3 310.442 0.620 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001649856906 1173263928 /nfs/dbraw/zinc/26/39/28/1173263928.db2.gz WNOWUAFMAPFQNI-RYUDHWBXSA-N 1 3 305.369 0.729 20 0 DCADHO CN1CCC(O)(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC001650158274 1173487492 /nfs/dbraw/zinc/48/74/92/1173487492.db2.gz GIAOJDLVGYTOKT-AWEZNQCLSA-N 1 3 300.443 0.479 20 0 DCADHO C[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC001650337337 1173575313 /nfs/dbraw/zinc/57/53/13/1173575313.db2.gz BFRSYTYJBRUFPI-RISCZKNCSA-N 1 3 316.405 0.580 20 0 DCADHO C[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC001650337337 1173575318 /nfs/dbraw/zinc/57/53/18/1173575318.db2.gz BFRSYTYJBRUFPI-RISCZKNCSA-N 1 3 316.405 0.580 20 0 DCADHO [NH3+][C@H]1CCCn2nc(C(=O)Nc3cnc4c(c3)CNCC4)cc21 ZINC001650341465 1173579034 /nfs/dbraw/zinc/57/90/34/1173579034.db2.gz SRYYZHQKQGEZGV-LBPRGKRZSA-N 1 3 312.377 0.970 20 0 DCADHO C[NH2+][C@@H](CNC(=O)c1c(CN)cnn1C)Cc1ccccc1 ZINC001650393091 1173613730 /nfs/dbraw/zinc/61/37/30/1173613730.db2.gz IAPMJXXHDRJRIC-CQSZACIVSA-N 1 3 301.394 0.439 20 0 DCADHO CN(C(=O)c1cc2c(s1)CNCC2)C1(C[NH3+])CCOCC1 ZINC001650414240 1173627652 /nfs/dbraw/zinc/62/76/52/1173627652.db2.gz UOZGQOSTXMLRPF-UHFFFAOYSA-N 1 3 309.435 0.974 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4n(n3)CCC[C@@H]4N)[C@@H]2C1 ZINC001650436760 1173640452 /nfs/dbraw/zinc/64/04/52/1173640452.db2.gz ISLGBNKTWBXUND-RNJOBUHISA-N 1 3 303.410 0.747 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4n(n3)CCC[C@@H]4N)[C@@H]2C1 ZINC001650436760 1173640455 /nfs/dbraw/zinc/64/04/55/1173640455.db2.gz ISLGBNKTWBXUND-RNJOBUHISA-N 1 3 303.410 0.747 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660277989 1173970635 /nfs/dbraw/zinc/97/06/35/1173970635.db2.gz OELOURNJKVYYPO-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001660277989 1173970641 /nfs/dbraw/zinc/97/06/41/1173970641.db2.gz OELOURNJKVYYPO-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001662084338 1174179890 /nfs/dbraw/zinc/17/98/90/1174179890.db2.gz FHRYCCBHVYIPOH-NBFUAULTSA-N 1 3 309.454 0.942 20 0 DCADHO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001662084338 1174179898 /nfs/dbraw/zinc/17/98/98/1174179898.db2.gz FHRYCCBHVYIPOH-NBFUAULTSA-N 1 3 309.454 0.942 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC001662690383 1174232205 /nfs/dbraw/zinc/23/22/05/1174232205.db2.gz GOFNGJVFKNUWPC-KGLIPLIRSA-N 1 3 306.410 0.817 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001663066620 1174261013 /nfs/dbraw/zinc/26/10/13/1174261013.db2.gz KBEVPRNHYDRCQC-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001663066620 1174261021 /nfs/dbraw/zinc/26/10/21/1174261021.db2.gz KBEVPRNHYDRCQC-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001663066622 1174262656 /nfs/dbraw/zinc/26/26/56/1174262656.db2.gz KBEVPRNHYDRCQC-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001663066622 1174262661 /nfs/dbraw/zinc/26/26/61/1174262661.db2.gz KBEVPRNHYDRCQC-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+]C/C=C/Cl)C1 ZINC001672677323 1175141468 /nfs/dbraw/zinc/14/14/68/1175141468.db2.gz VKPDKKUSPOQJNO-OHVSUOQFSA-N 1 3 303.834 0.491 20 0 DCADHO C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+]C/C=C\Cl)C1 ZINC001672677322 1175141715 /nfs/dbraw/zinc/14/17/15/1175141715.db2.gz VKPDKKUSPOQJNO-LSYFEZSPSA-N 1 3 303.834 0.491 20 0 DCADHO COc1ccc(CN(C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001689887659 1177103959 /nfs/dbraw/zinc/10/39/59/1177103959.db2.gz LLOQXTXZJJTYNO-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ccc(CN(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001689887659 1177103966 /nfs/dbraw/zinc/10/39/66/1177103966.db2.gz LLOQXTXZJJTYNO-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCCF)CCCCC1 ZINC001699056132 1177808195 /nfs/dbraw/zinc/80/81/95/1177808195.db2.gz OZRLBSTUWCUCQG-ZDUSSCGKSA-N 1 3 303.422 0.535 20 0 DCADHO C[C@@H](CC[NH2+]Cc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001699108224 1177862072 /nfs/dbraw/zinc/86/20/72/1177862072.db2.gz ZGUZFACNSUGAFD-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699181856 1177919879 /nfs/dbraw/zinc/91/98/79/1177919879.db2.gz PYCWPJVPBHRVNW-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CCn2cncn2)CCC1 ZINC001699263011 1178004587 /nfs/dbraw/zinc/00/45/87/1178004587.db2.gz OKYVJCGVBBQNLA-ARJAWSKDSA-N 1 3 306.414 0.024 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cnn(C)c1)N(C)C ZINC001699514718 1178175699 /nfs/dbraw/zinc/17/56/99/1178175699.db2.gz VDVBDCIJQBULOJ-HNNXBMFYSA-N 1 3 309.458 0.944 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001700160217 1178507050 /nfs/dbraw/zinc/50/70/50/1178507050.db2.gz ADPMOIITXATOFN-AAAGKOELSA-N 1 3 303.834 0.896 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNC(=O)CN1CCCC1)[NH+](C)C ZINC001705042917 1180238994 /nfs/dbraw/zinc/23/89/94/1180238994.db2.gz UEWRDVSUDNRFPC-SQRWCISFSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCN(C)[C@@H]1CCCNC1=O)[NH+](C)C ZINC001707379174 1180470817 /nfs/dbraw/zinc/47/08/17/1180470817.db2.gz ANCPBBQIIKPHDB-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(C)n(CC[N@@H+](C)CCCNC(=O)[C@H]2CCCN2C)n1 ZINC001707399089 1180485579 /nfs/dbraw/zinc/48/55/79/1180485579.db2.gz OANHFEGXTUTKJE-OAHLLOKOSA-N 1 3 322.457 0.427 20 0 DCADHO Cc1nc(C)n(CC[N@H+](C)CCCNC(=O)[C@H]2CCCN2C)n1 ZINC001707399089 1180485584 /nfs/dbraw/zinc/48/55/84/1180485584.db2.gz OANHFEGXTUTKJE-OAHLLOKOSA-N 1 3 322.457 0.427 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001712950515 1180579317 /nfs/dbraw/zinc/57/93/17/1180579317.db2.gz LHWBDBHBHAGHQR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001712950515 1180579322 /nfs/dbraw/zinc/57/93/22/1180579322.db2.gz LHWBDBHBHAGHQR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001714212078 1181281616 /nfs/dbraw/zinc/28/16/16/1181281616.db2.gz XQLKHDVSWPDBDO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001715153221 1181702500 /nfs/dbraw/zinc/70/25/00/1181702500.db2.gz HKAXAENZQYMDPO-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H](O)C[NH2+]CCCF)C1 ZINC001715601166 1181888072 /nfs/dbraw/zinc/88/80/72/1181888072.db2.gz NFQCAWJQYKJWOM-WFASDCNBSA-N 1 3 321.412 0.625 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCc2cnn(C)c2)C1 ZINC001715876663 1182068505 /nfs/dbraw/zinc/06/85/05/1182068505.db2.gz UJYKYJKMVDMQJV-ABCZVMIZSA-N 1 3 319.453 0.566 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC1CC1 ZINC001716532338 1182426905 /nfs/dbraw/zinc/42/69/05/1182426905.db2.gz ICVKOUMKXYHNRX-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001721858247 1184081959 /nfs/dbraw/zinc/08/19/59/1184081959.db2.gz FPRZYFNPOFUBBW-GXMNPTEKSA-N 1 3 310.442 0.069 20 0 DCADHO CCCN(C)CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001721858247 1184081966 /nfs/dbraw/zinc/08/19/66/1184081966.db2.gz FPRZYFNPOFUBBW-GXMNPTEKSA-N 1 3 310.442 0.069 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001722990106 1184242281 /nfs/dbraw/zinc/24/22/81/1184242281.db2.gz ITUXNWDZENCLDD-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001723045988 1184254759 /nfs/dbraw/zinc/25/47/59/1184254759.db2.gz MYKKZFMOAWUSAK-KGLIPLIRSA-N 1 3 314.474 0.487 20 0 DCADHO CN(CC(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001723122273 1184264683 /nfs/dbraw/zinc/26/46/83/1184264683.db2.gz HQEIBZIXBGMJLH-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)(C(=O)N(CCO)CCNCCF)[NH+]1CCCCC1 ZINC001724672708 1184510686 /nfs/dbraw/zinc/51/06/86/1184510686.db2.gz VVLSOHYACXJHSD-UHFFFAOYSA-N 1 3 303.422 0.631 20 0 DCADHO CCOCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001724915745 1184617913 /nfs/dbraw/zinc/61/79/13/1184617913.db2.gz YZSOSNDEBFYHRD-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001725609135 1184910286 /nfs/dbraw/zinc/91/02/86/1184910286.db2.gz UYNJIDGORJORCJ-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCCNC1=O ZINC001731316527 1185260744 /nfs/dbraw/zinc/26/07/44/1185260744.db2.gz BNEZEQNSXMIMSA-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCCNC1=O ZINC001731316527 1185260747 /nfs/dbraw/zinc/26/07/47/1185260747.db2.gz BNEZEQNSXMIMSA-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001731975239 1185619856 /nfs/dbraw/zinc/61/98/56/1185619856.db2.gz QYELEKUEERRILT-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001733135294 1186156529 /nfs/dbraw/zinc/15/65/29/1186156529.db2.gz IKNVSIDMGXLEDC-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC/C=C/Cl)C2)C1 ZINC001733751596 1186431837 /nfs/dbraw/zinc/43/18/37/1186431837.db2.gz YCNKQBSYAFZIQJ-FVPDLXMVSA-N 1 3 301.818 0.508 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC/C=C/Cl)C2)C1 ZINC001733751596 1186431839 /nfs/dbraw/zinc/43/18/39/1186431839.db2.gz YCNKQBSYAFZIQJ-FVPDLXMVSA-N 1 3 301.818 0.508 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001736854938 1187139046 /nfs/dbraw/zinc/13/90/46/1187139046.db2.gz XNMJNOQILOISAQ-ILXRZTDVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001736854938 1187139050 /nfs/dbraw/zinc/13/90/50/1187139050.db2.gz XNMJNOQILOISAQ-ILXRZTDVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCCNC(=O)CC[NH+](C)C)C1 ZINC001743696543 1188157077 /nfs/dbraw/zinc/15/70/77/1188157077.db2.gz TVMREVZFDQQTGC-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2ccnn2C)C1 ZINC001752958283 1188467647 /nfs/dbraw/zinc/46/76/47/1188467647.db2.gz LBHZKHHCZQAZQR-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001753188885 1188528828 /nfs/dbraw/zinc/52/88/28/1188528828.db2.gz CMOPOTHUFNRQJN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753188885 1188528831 /nfs/dbraw/zinc/52/88/31/1188528831.db2.gz CMOPOTHUFNRQJN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753190663 1188529658 /nfs/dbraw/zinc/52/96/58/1188529658.db2.gz NVWUVFXLACUBKD-OAHLLOKOSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)[C@@H]1CCCN1C ZINC001754038272 1188718383 /nfs/dbraw/zinc/71/83/83/1188718383.db2.gz DRZZTAJWVNZYGG-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO CN1CCNC[C@H]1c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212224446 751358139 /nfs/dbraw/zinc/35/81/39/751358139.db2.gz MLTKKHOJQWTHIR-ZDUSSCGKSA-N 1 3 300.366 0.353 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480775 751414819 /nfs/dbraw/zinc/41/48/19/751414819.db2.gz LKZRIMOVGSKGFJ-LSDHHAIUSA-N 1 3 322.453 0.043 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480483 751415144 /nfs/dbraw/zinc/41/51/44/751415144.db2.gz KLHJNRLEKRZPLR-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCCNC2=O)[C@H](C)C1 ZINC001106910813 751554322 /nfs/dbraw/zinc/55/43/22/751554322.db2.gz PPFXZYWDRLXMEY-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107041042 751786575 /nfs/dbraw/zinc/78/65/75/751786575.db2.gz YDOMNKNFDPVVHA-KFWWJZLASA-N 1 3 315.458 0.018 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042532 751787300 /nfs/dbraw/zinc/78/73/00/751787300.db2.gz QMMPOULHAZOKNY-HZSPNIEDSA-N 1 3 312.458 0.145 20 0 DCADHO COCCCN(C(=O)CNCCOC)C1CC[NH+](C)CC1 ZINC001579014357 1165187953 /nfs/dbraw/zinc/18/79/53/1165187953.db2.gz MOLLWCHTPCGHER-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO Cc1ccc(F)c(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238878305 752045019 /nfs/dbraw/zinc/04/50/19/752045019.db2.gz CLWULJJVZUCJAG-UHFFFAOYSA-N 1 3 303.403 0.741 20 0 DCADHO O=C(NCCNCc1cncc(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779915 752066679 /nfs/dbraw/zinc/06/66/79/752066679.db2.gz SVFYQYZFLAZULN-CABCVRRESA-N 1 3 322.384 0.290 20 0 DCADHO O=C(NCCNCc1cncc(F)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779915 752066687 /nfs/dbraw/zinc/06/66/87/752066687.db2.gz SVFYQYZFLAZULN-CABCVRRESA-N 1 3 322.384 0.290 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2cncn2C)C1)N(C)C ZINC001100442496 747051954 /nfs/dbraw/zinc/05/19/54/747051954.db2.gz KBFCFCMSPKOBCB-SSDMNJCBSA-N 1 3 307.442 0.745 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098540513 747111441 /nfs/dbraw/zinc/11/14/41/747111441.db2.gz QFTJRUAYHBIHQB-UHFFFAOYSA-N 1 3 317.449 0.973 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098540513 747111445 /nfs/dbraw/zinc/11/14/45/747111445.db2.gz QFTJRUAYHBIHQB-UHFFFAOYSA-N 1 3 317.449 0.973 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001210811796 747138208 /nfs/dbraw/zinc/13/82/08/747138208.db2.gz RHEVWBPKUDVRLF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]([NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1)C(N)=O ZINC001100563660 747328328 /nfs/dbraw/zinc/32/83/28/747328328.db2.gz QWJBJXVPUHCPSL-JXQTWKCFSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC001203456241 752239041 /nfs/dbraw/zinc/23/90/41/752239041.db2.gz SPCPRPHKOHNWGM-UHFFFAOYSA-N 1 3 322.457 0.720 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001203456315 752252458 /nfs/dbraw/zinc/25/24/58/752252458.db2.gz VNUOZTZDBQJACX-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001167835943 748409514 /nfs/dbraw/zinc/40/95/14/748409514.db2.gz LKHAKPSVZRGFPC-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105358433 748435691 /nfs/dbraw/zinc/43/56/91/748435691.db2.gz ZJQRDBHUHVXRCC-UHFFFAOYSA-N 1 3 322.457 0.749 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(n2cc(CNCC(C)C)nn2)C1 ZINC001105358433 748435696 /nfs/dbraw/zinc/43/56/96/748435696.db2.gz ZJQRDBHUHVXRCC-UHFFFAOYSA-N 1 3 322.457 0.749 20 0 DCADHO CCOC(=O)c1cn2nc(NC(=N)NCCCC[NH3+])ccc2n1 ZINC001167883953 748461708 /nfs/dbraw/zinc/46/17/08/748461708.db2.gz OHYNKJWBDJGXFL-UHFFFAOYSA-N 1 3 319.369 0.581 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029765 749097021 /nfs/dbraw/zinc/09/70/21/749097021.db2.gz JMGUOMAWSQMKHP-HIFRSBDPSA-N 1 3 320.441 0.428 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168029765 749097030 /nfs/dbraw/zinc/09/70/30/749097030.db2.gz JMGUOMAWSQMKHP-HIFRSBDPSA-N 1 3 320.441 0.428 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1)C1CC1 ZINC001087993632 749180177 /nfs/dbraw/zinc/18/01/77/749180177.db2.gz WLHNIGVLNJOONW-OWCLPIDISA-N 1 3 309.454 0.489 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1)C1CC1 ZINC001087993632 749180186 /nfs/dbraw/zinc/18/01/86/749180186.db2.gz WLHNIGVLNJOONW-OWCLPIDISA-N 1 3 309.454 0.489 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088382668 749412400 /nfs/dbraw/zinc/41/24/00/749412400.db2.gz ISQYZRFTHZMRMS-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064247 750874349 /nfs/dbraw/zinc/87/43/49/750874349.db2.gz IPNPRFYJNCKTPH-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064247 750874360 /nfs/dbraw/zinc/87/43/60/750874360.db2.gz IPNPRFYJNCKTPH-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2nccn2C)CCN1C(=O)CN1CCCC1 ZINC001044858708 752906340 /nfs/dbraw/zinc/90/63/40/752906340.db2.gz VCBSPJNCAFKPEG-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001044959782 752958851 /nfs/dbraw/zinc/95/88/51/752958851.db2.gz MJROVBHQSWTZDX-GJZGRUSLSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078018169 752984244 /nfs/dbraw/zinc/98/42/44/752984244.db2.gz RIRZTTJCKMGWSH-NJZAAPMLSA-N 1 3 324.400 0.671 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001045273446 753124137 /nfs/dbraw/zinc/12/41/37/753124137.db2.gz JRKYVZRWMXVMLS-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001045273446 753124141 /nfs/dbraw/zinc/12/41/41/753124141.db2.gz JRKYVZRWMXVMLS-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@]2(C)CCN(CCCO)C2)n1 ZINC001046326594 753646849 /nfs/dbraw/zinc/64/68/49/753646849.db2.gz RQLJNDHRVPKCFL-MRXNPFEDSA-N 1 3 323.441 0.021 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047401075 754246845 /nfs/dbraw/zinc/24/68/45/754246845.db2.gz BXOJBHKPSSUYOX-JYJNAYRXSA-N 1 3 309.454 0.774 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047401075 754246851 /nfs/dbraw/zinc/24/68/51/754246851.db2.gz BXOJBHKPSSUYOX-JYJNAYRXSA-N 1 3 309.454 0.774 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001128773935 754269658 /nfs/dbraw/zinc/26/96/58/754269658.db2.gz JICAUXVCIXWRBK-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001128773935 754269661 /nfs/dbraw/zinc/26/96/61/754269661.db2.gz JICAUXVCIXWRBK-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001128779183 754273150 /nfs/dbraw/zinc/27/31/50/754273150.db2.gz RCYGDTNYSZLKCR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001128779183 754273154 /nfs/dbraw/zinc/27/31/54/754273154.db2.gz RCYGDTNYSZLKCR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C[NH2+]Cc1ccn(C)n1 ZINC001048475841 754768434 /nfs/dbraw/zinc/76/84/34/754768434.db2.gz OBMMVMGVWJWFMW-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049058080 755095229 /nfs/dbraw/zinc/09/52/29/755095229.db2.gz VUEHPJCMPRGMEK-KBXIAJHMSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049058080 755095233 /nfs/dbraw/zinc/09/52/33/755095233.db2.gz VUEHPJCMPRGMEK-KBXIAJHMSA-N 1 3 322.453 0.125 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049465408 755275196 /nfs/dbraw/zinc/27/51/96/755275196.db2.gz RYSSEVJHEJBXCO-ARFHVFGLSA-N 1 3 309.454 0.917 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049465408 755275198 /nfs/dbraw/zinc/27/51/98/755275198.db2.gz RYSSEVJHEJBXCO-ARFHVFGLSA-N 1 3 309.454 0.917 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049506609 755288797 /nfs/dbraw/zinc/28/87/97/755288797.db2.gz ZHAFYQWAUBPFTG-HRCADAONSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049506609 755288800 /nfs/dbraw/zinc/28/88/00/755288800.db2.gz ZHAFYQWAUBPFTG-HRCADAONSA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2CCO ZINC001049506609 755288804 /nfs/dbraw/zinc/28/88/04/755288804.db2.gz ZHAFYQWAUBPFTG-HRCADAONSA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CCN2CCO ZINC001049506609 755288807 /nfs/dbraw/zinc/28/88/07/755288807.db2.gz ZHAFYQWAUBPFTG-HRCADAONSA-N 1 3 309.454 0.918 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NCC(C)C ZINC001168763927 755381837 /nfs/dbraw/zinc/38/18/37/755381837.db2.gz VDXGAIQYLITUPH-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO COCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097079331 755593026 /nfs/dbraw/zinc/59/30/26/755593026.db2.gz JEYCMVDCDXIHRC-QXSJWSMHSA-N 1 3 307.438 0.696 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680890 755777736 /nfs/dbraw/zinc/77/77/36/755777736.db2.gz XFIMHBFYVDWKMJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079495266 755882230 /nfs/dbraw/zinc/88/22/30/755882230.db2.gz DYTMYPPOHYWSDV-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079495266 755882237 /nfs/dbraw/zinc/88/22/37/755882237.db2.gz DYTMYPPOHYWSDV-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072289819 762428848 /nfs/dbraw/zinc/42/88/48/762428848.db2.gz GCYHNMKOCDOHJD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079966741 756059974 /nfs/dbraw/zinc/05/99/74/756059974.db2.gz HHTFCSUWWIOSLF-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO Cc1nn(C)cc1CN1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080943259 756395957 /nfs/dbraw/zinc/39/59/57/756395957.db2.gz YDFQNSAJUSRMQD-CZUORRHYSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001080943259 756395965 /nfs/dbraw/zinc/39/59/65/756395965.db2.gz YDFQNSAJUSRMQD-CZUORRHYSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001080943259 756395970 /nfs/dbraw/zinc/39/59/70/756395970.db2.gz YDFQNSAJUSRMQD-CZUORRHYSA-N 1 3 319.453 0.761 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001082561764 757188162 /nfs/dbraw/zinc/18/81/62/757188162.db2.gz PEAAQWYVLXFJLX-KWCYVHTRSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001082575240 757194498 /nfs/dbraw/zinc/19/44/98/757194498.db2.gz SPDCWANKRHDCOB-YUELXQCFSA-N 1 3 322.457 0.338 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCF ZINC001082653523 757215570 /nfs/dbraw/zinc/21/55/70/757215570.db2.gz PCXRFZYWUZXZHB-JCLLTIBYSA-N 1 3 311.401 0.256 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001050456464 757722381 /nfs/dbraw/zinc/72/23/81/757722381.db2.gz JMWAJWDOIRLMMI-ZIAGYGMSSA-N 1 3 322.453 0.269 20 0 DCADHO CN(C)C1(C(=O)N2CC3(C2)CC[NH+](CCCO)CC3)CCC1 ZINC001050543678 757821048 /nfs/dbraw/zinc/82/10/48/757821048.db2.gz JZJXPCJNQVCTLI-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCCO)CC3)C1 ZINC001050662556 757940577 /nfs/dbraw/zinc/94/05/77/757940577.db2.gz KIPUCPCBYCXGAQ-HNNXBMFYSA-N 1 3 309.454 0.635 20 0 DCADHO CO[C@H](C)C[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001050682310 757963535 /nfs/dbraw/zinc/96/35/35/757963535.db2.gz YKUUDCXDHFMFQR-CYBMUJFWSA-N 1 3 306.410 0.912 20 0 DCADHO Cc1cnc(N2CCC(C[NH3+])CC2)nc1NCC1CN(C)C1 ZINC001170252924 762592312 /nfs/dbraw/zinc/59/23/12/762592312.db2.gz UMBKCBSPJIHBCZ-UHFFFAOYSA-N 1 3 304.442 0.934 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCc2cccc3c2CCN(CCO)C3)C1 ZINC001051307282 758571584 /nfs/dbraw/zinc/57/15/84/758571584.db2.gz ULLYGQBDSPEETR-MRXNPFEDSA-N 1 3 317.433 0.605 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCc2cccc3c2CCN(CCO)C3)C1 ZINC001051307282 758571590 /nfs/dbraw/zinc/57/15/90/758571590.db2.gz ULLYGQBDSPEETR-MRXNPFEDSA-N 1 3 317.433 0.605 20 0 DCADHO CN(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CC2CCC2)C1)C1CC1 ZINC001051654174 758840755 /nfs/dbraw/zinc/84/07/55/758840755.db2.gz IRCSQZWDOIRYLR-CVEARBPZSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671030 758848757 /nfs/dbraw/zinc/84/87/57/758848757.db2.gz CNCLGIFZBSEUEF-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO CCOCC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488380 762681156 /nfs/dbraw/zinc/68/11/56/762681156.db2.gz UKLOBALZIFKYLQ-UHFFFAOYSA-N 1 3 324.425 0.274 20 0 DCADHO CCOCC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488380 762681157 /nfs/dbraw/zinc/68/11/57/762681157.db2.gz UKLOBALZIFKYLQ-UHFFFAOYSA-N 1 3 324.425 0.274 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052117383 759189180 /nfs/dbraw/zinc/18/91/80/759189180.db2.gz LVQDZJIAYKYLIA-IRXDYDNUSA-N 1 3 320.481 0.567 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052117383 759189182 /nfs/dbraw/zinc/18/91/82/759189182.db2.gz LVQDZJIAYKYLIA-IRXDYDNUSA-N 1 3 320.481 0.567 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900284 767880575 /nfs/dbraw/zinc/88/05/75/767880575.db2.gz LMDUBRIYGOBWOW-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900284 767880582 /nfs/dbraw/zinc/88/05/82/767880582.db2.gz LMDUBRIYGOBWOW-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086084274 759694022 /nfs/dbraw/zinc/69/40/22/759694022.db2.gz KJRNIZQBYINGKG-YIYPIFLZSA-N 1 3 310.442 0.217 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1=O ZINC001129327476 759828429 /nfs/dbraw/zinc/82/84/29/759828429.db2.gz ICDAJODFHWPFNZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1=O ZINC001129327476 759828438 /nfs/dbraw/zinc/82/84/38/759828438.db2.gz ICDAJODFHWPFNZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994360 767901772 /nfs/dbraw/zinc/90/17/72/767901772.db2.gz FXRQKHKLAWFBEE-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001161093659 767924352 /nfs/dbraw/zinc/92/43/52/767924352.db2.gz UUDMDBDRBKTBGN-SCZZXKLOSA-N 1 3 305.304 0.936 20 0 DCADHO COCCN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124470 760437511 /nfs/dbraw/zinc/43/75/11/760437511.db2.gz ILBFNTFEIBNQLD-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCCN(C)CC2)CO1 ZINC001169335399 760650264 /nfs/dbraw/zinc/65/02/64/760650264.db2.gz RPWJKOIYHOIHHY-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001129332930 760699270 /nfs/dbraw/zinc/69/92/70/760699270.db2.gz DWIRJJGNLSKPHF-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001129332930 760699277 /nfs/dbraw/zinc/69/92/77/760699277.db2.gz DWIRJJGNLSKPHF-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)CCC1 ZINC001129356781 761002330 /nfs/dbraw/zinc/00/23/30/761002330.db2.gz HXHPKKQPMSKYPD-JTQLQIEISA-N 1 3 311.348 0.490 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735878 768018524 /nfs/dbraw/zinc/01/85/24/768018524.db2.gz ZFTOSDDAOFFBEG-ZBFHGGJFSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735878 768018527 /nfs/dbraw/zinc/01/85/27/768018527.db2.gz ZFTOSDDAOFFBEG-ZBFHGGJFSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001070541265 761301289 /nfs/dbraw/zinc/30/12/89/761301289.db2.gz SRKXODYYJBXERG-DZGCQCFKSA-N 1 3 316.409 0.678 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001070689745 761397650 /nfs/dbraw/zinc/39/76/50/761397650.db2.gz NBMASTSUGQSGTM-RRFJBIMHSA-N 1 3 319.453 0.666 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091759074 768045819 /nfs/dbraw/zinc/04/58/19/768045819.db2.gz ZTOMQWQQORMCTD-VYDXJSESSA-N 1 3 311.470 0.999 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091759074 768045825 /nfs/dbraw/zinc/04/58/25/768045825.db2.gz ZTOMQWQQORMCTD-VYDXJSESSA-N 1 3 311.470 0.999 20 0 DCADHO Cc1cc(Cl)ncc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879165 770139655 /nfs/dbraw/zinc/13/96/55/770139655.db2.gz QPNWYCMLQJRDSZ-UHFFFAOYSA-N 1 3 320.846 0.650 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001129410666 762930611 /nfs/dbraw/zinc/93/06/11/762930611.db2.gz QIQQOVBEUMUJDS-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001129410666 762930617 /nfs/dbraw/zinc/93/06/17/762930617.db2.gz QIQQOVBEUMUJDS-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCCO[C@H]1CCOC1)C1CC1 ZINC001129444449 762937195 /nfs/dbraw/zinc/93/71/95/762937195.db2.gz SUNQHKCXTZMGKF-GJZGRUSLSA-N 1 3 313.442 0.228 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129442497 762945546 /nfs/dbraw/zinc/94/55/46/762945546.db2.gz BDXUURPSTPDAQV-GXTWGEPZSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129855645 763026718 /nfs/dbraw/zinc/02/67/18/763026718.db2.gz IEIUVDUHHMKHES-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129855645 763026725 /nfs/dbraw/zinc/02/67/25/763026725.db2.gz IEIUVDUHHMKHES-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N(C)C(C)C)[NH+](C)C ZINC001129947448 763066220 /nfs/dbraw/zinc/06/62/20/763066220.db2.gz ZYIVEDZUDRVVLD-AWEZNQCLSA-N 1 3 300.447 0.145 20 0 DCADHO CCOCCN1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099893926 763105302 /nfs/dbraw/zinc/10/53/02/763105302.db2.gz BASIMUVAYBGDSE-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099893926 763105309 /nfs/dbraw/zinc/10/53/09/763105309.db2.gz BASIMUVAYBGDSE-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170329 763160190 /nfs/dbraw/zinc/16/01/90/763160190.db2.gz WKSXFYXDZFRNRV-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1)N(C)C ZINC001130203312 763176433 /nfs/dbraw/zinc/17/64/33/763176433.db2.gz JBTAWUGHINVLAL-HZPDHXFCSA-N 1 3 307.438 0.636 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CC2CC(F)(F)C2)C[C@@H]1O ZINC001099986789 763188835 /nfs/dbraw/zinc/18/88/35/763188835.db2.gz PLRFNSAQCYOACG-OLZOCXBDSA-N 1 3 319.396 0.535 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001130427365 763297400 /nfs/dbraw/zinc/29/74/00/763297400.db2.gz NDJOHJWBNXONGX-AWEZNQCLSA-N 1 3 315.458 0.618 20 0 DCADHO CCCC[C@H](NCCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001130810685 763503494 /nfs/dbraw/zinc/50/34/94/763503494.db2.gz ZFQHUUVPKYTGKF-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100676980 763717176 /nfs/dbraw/zinc/71/71/76/763717176.db2.gz VLNJJIKURGRRTH-DNOWBOINSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2cncn2C)C1 ZINC001100899967 763847145 /nfs/dbraw/zinc/84/71/45/763847145.db2.gz JOFMINXFSAITJW-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001100904883 763850023 /nfs/dbraw/zinc/85/00/23/763850023.db2.gz MOXYSIDTFWRNFP-RUXDESIVSA-N 1 3 310.442 0.043 20 0 DCADHO COCCOCC[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101036479 763931029 /nfs/dbraw/zinc/93/10/29/763931029.db2.gz QQGPNUBJBALRAL-UHFFFAOYSA-N 1 3 315.458 0.474 20 0 DCADHO C[C@H](NCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)N(C)C ZINC001131790638 764013741 /nfs/dbraw/zinc/01/37/41/764013741.db2.gz ROWCEYBARSNDMO-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](NCCNC(=O)c1ccccc1CC[NH+](C)C)C(N)=O ZINC001131801601 764036067 /nfs/dbraw/zinc/03/60/67/764036067.db2.gz KXXLZARDPVYXPC-OAHLLOKOSA-N 1 3 320.437 0.374 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CN1CCO ZINC001132140572 764268927 /nfs/dbraw/zinc/26/89/27/764268927.db2.gz JFDSTRSDICUGCC-CABCVRRESA-N 1 3 320.437 0.869 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283856 764352137 /nfs/dbraw/zinc/35/21/37/764352137.db2.gz LVJVFTUVWPTBLP-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001102101076 764525556 /nfs/dbraw/zinc/52/55/56/764525556.db2.gz MBLUKXLEGBUNFQ-FRRDWIJNSA-N 1 3 312.458 0.275 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001102101076 764525563 /nfs/dbraw/zinc/52/55/63/764525563.db2.gz MBLUKXLEGBUNFQ-FRRDWIJNSA-N 1 3 312.458 0.275 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001102525195 764680201 /nfs/dbraw/zinc/68/02/01/764680201.db2.gz PNFDZPRAEDJPNC-HUUCEWRRSA-N 1 3 315.458 0.021 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001102525195 764680203 /nfs/dbraw/zinc/68/02/03/764680203.db2.gz PNFDZPRAEDJPNC-HUUCEWRRSA-N 1 3 315.458 0.021 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)NCC[NH2+][C@H](C)c2cnccn2)C1 ZINC001132849019 764690940 /nfs/dbraw/zinc/69/09/40/764690940.db2.gz ZBYPOEMOHHKZFZ-HIFRSBDPSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001132892882 764711816 /nfs/dbraw/zinc/71/18/16/764711816.db2.gz DQGXMIDIWBPLHC-YDHLFZDLSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001132892882 764711821 /nfs/dbraw/zinc/71/18/21/764711821.db2.gz DQGXMIDIWBPLHC-YDHLFZDLSA-N 1 3 324.469 0.337 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133052034 764804350 /nfs/dbraw/zinc/80/43/50/764804350.db2.gz YZLVPNSXOJFZDQ-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CC(C)C[C@H](C)N(C)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291232 764908752 /nfs/dbraw/zinc/90/87/52/764908752.db2.gz MHKVOUGJLTZTMH-AWEZNQCLSA-N 1 3 314.474 0.537 20 0 DCADHO Cc1cccc(CNC(=O)CNCCNC(=O)CC[NH+](C)C)c1 ZINC001133291021 764908845 /nfs/dbraw/zinc/90/88/45/764908845.db2.gz IEFPVLBVGGQHPZ-UHFFFAOYSA-N 1 3 320.437 0.269 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294712 764911184 /nfs/dbraw/zinc/91/11/84/764911184.db2.gz QIMDOCISINVIPH-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO C[NH+](C)CCC(=O)NCCN[C@@H]1CCc2ccccc2NC1=O ZINC001133296881 764919826 /nfs/dbraw/zinc/91/98/26/764919826.db2.gz CVQTYDASMYEIRC-OAHLLOKOSA-N 1 3 318.421 0.597 20 0 DCADHO CC[C@H](C(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+](CC)CC ZINC001133685689 765093213 /nfs/dbraw/zinc/09/32/13/765093213.db2.gz ZNWBPMFYSSZZLY-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)N(C)C1CC1)[NH+](CC)CC ZINC001133685638 765093418 /nfs/dbraw/zinc/09/34/18/765093418.db2.gz YIPPNSHWJARGRF-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001133823449 765152234 /nfs/dbraw/zinc/15/22/34/765152234.db2.gz GNYJBABIAIHERM-GJZGRUSLSA-N 1 3 313.442 0.372 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)CN2CCC[C@@H]2C)n1 ZINC001133823424 765152428 /nfs/dbraw/zinc/15/24/28/765152428.db2.gz GDLZZQHFDXOUIT-AWEZNQCLSA-N 1 3 307.442 0.690 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001133830988 765161313 /nfs/dbraw/zinc/16/13/13/765161313.db2.gz FLDZUFOTWGDSFK-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001133830988 765161322 /nfs/dbraw/zinc/16/13/22/765161322.db2.gz FLDZUFOTWGDSFK-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133865234 765190200 /nfs/dbraw/zinc/19/02/00/765190200.db2.gz AXSHKYXSFPXOEL-JSGCOSHPSA-N 1 3 312.458 0.195 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133865234 765190205 /nfs/dbraw/zinc/19/02/05/765190205.db2.gz AXSHKYXSFPXOEL-JSGCOSHPSA-N 1 3 312.458 0.195 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC001133866972 765193011 /nfs/dbraw/zinc/19/30/11/765193011.db2.gz QIASQGOHJQMCJS-GXTWGEPZSA-N 1 3 306.410 0.494 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC001133866972 765193014 /nfs/dbraw/zinc/19/30/14/765193014.db2.gz QIASQGOHJQMCJS-GXTWGEPZSA-N 1 3 306.410 0.494 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN2CCC(C)(C)C2)n1 ZINC001133894180 765213165 /nfs/dbraw/zinc/21/31/65/765213165.db2.gz WGLLNFYRANGSHI-UHFFFAOYSA-N 1 3 323.441 0.748 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001133965939 765258767 /nfs/dbraw/zinc/25/87/67/765258767.db2.gz QCXSUGYGBWZRCY-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206505 765473747 /nfs/dbraw/zinc/47/37/47/765473747.db2.gz RWBPGBJZEFQYHM-IJLUTSLNSA-N 1 3 323.359 0.563 20 0 DCADHO COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206505 765473752 /nfs/dbraw/zinc/47/37/52/765473752.db2.gz RWBPGBJZEFQYHM-IJLUTSLNSA-N 1 3 323.359 0.563 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNCc1ccnn1C ZINC001134763182 765659513 /nfs/dbraw/zinc/65/95/13/765659513.db2.gz OTXVMVVHNDKBGZ-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNCc1ccnn1C ZINC001134763182 765659515 /nfs/dbraw/zinc/65/95/15/765659515.db2.gz OTXVMVVHNDKBGZ-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001134766657 765662782 /nfs/dbraw/zinc/66/27/82/765662782.db2.gz KLDAXUVTIULBSK-OAHLLOKOSA-N 1 3 307.442 0.852 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C(N)=O ZINC001135474362 765939691 /nfs/dbraw/zinc/93/96/91/765939691.db2.gz OBKCCCCAAQBWEL-OLZOCXBDSA-N 1 3 300.447 0.323 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001135510799 765965195 /nfs/dbraw/zinc/96/51/95/765965195.db2.gz FSSGSEILUDHKEL-UHFFFAOYSA-N 1 3 301.822 0.584 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743609 766085569 /nfs/dbraw/zinc/08/55/69/766085569.db2.gz MXJTVFPYGIYNIH-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001135977550 766197740 /nfs/dbraw/zinc/19/77/40/766197740.db2.gz VKABGVDTPBCHQK-KGLIPLIRSA-N 1 3 314.474 0.679 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161897 766863489 /nfs/dbraw/zinc/86/34/89/766863489.db2.gz RDKZQMUBCKHNCH-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@]1(C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)NC(=O)NC1=O ZINC001120259633 766950643 /nfs/dbraw/zinc/95/06/43/766950643.db2.gz MMKVLHYSFTYKIS-LRDDRELGSA-N 1 3 308.426 0.686 20 0 DCADHO C[C@]1(C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)NC(=O)NC1=O ZINC001120259634 766950659 /nfs/dbraw/zinc/95/06/59/766950659.db2.gz MMKVLHYSFTYKIS-MLGOLLRUSA-N 1 3 308.426 0.686 20 0 DCADHO CC(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001091150959 766961785 /nfs/dbraw/zinc/96/17/85/766961785.db2.gz HVIMFQPTWLZNMJ-KUNBBXKYSA-N 1 3 321.465 0.990 20 0 DCADHO C[NH+](C)CCOCC(=O)NCCCNCc1cc(C2CC2)no1 ZINC001171206084 767006447 /nfs/dbraw/zinc/00/64/47/767006447.db2.gz ZSQFJLGMHFUJKI-UHFFFAOYSA-N 1 3 324.425 0.726 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)Cn2cccn2)C[C@H](C)O1 ZINC001120481208 767032899 /nfs/dbraw/zinc/03/28/99/767032899.db2.gz NMFUEOHUXNLTON-XHSDSOJGSA-N 1 3 310.442 0.723 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227659 767060887 /nfs/dbraw/zinc/06/08/87/767060887.db2.gz QMSCKWJSLSNUCS-CQSZACIVSA-N 1 3 305.426 0.723 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227659 767060896 /nfs/dbraw/zinc/06/08/96/767060896.db2.gz QMSCKWJSLSNUCS-CQSZACIVSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@@H]1NCCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@H]1C ZINC001120653447 767117689 /nfs/dbraw/zinc/11/76/89/767117689.db2.gz PSBBHTIAWFDFAF-GJZGRUSLSA-N 1 3 311.474 0.454 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccn(C)n1)NC(=O)CN1CCCC1 ZINC001146340902 767438308 /nfs/dbraw/zinc/43/83/08/767438308.db2.gz UKAHCNRICAVDEM-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001161233405 767439745 /nfs/dbraw/zinc/43/97/45/767439745.db2.gz VNKYPZGFIHBYMH-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001146591100 767484556 /nfs/dbraw/zinc/48/45/56/767484556.db2.gz FWICJUHZILSWAX-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001146594129 767485877 /nfs/dbraw/zinc/48/58/77/767485877.db2.gz RGBCQXMYVRJORT-STQMWFEESA-N 1 3 321.487 0.244 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593535 767486155 /nfs/dbraw/zinc/48/61/55/767486155.db2.gz PUWIOCJKJBFGFX-CHWSQXEVSA-N 1 3 300.447 0.336 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595092 767487036 /nfs/dbraw/zinc/48/70/36/767487036.db2.gz WZRVCSCSPOOYPO-KBPBESRZSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2)N(C)C ZINC001121301848 767503726 /nfs/dbraw/zinc/50/37/26/767503726.db2.gz CRVBXTNUUBTMSE-HTVNSPLZSA-N 1 3 310.442 0.090 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N(C(C)C)C(C)C ZINC001146718840 767510517 /nfs/dbraw/zinc/51/05/17/767510517.db2.gz HPLUPIQCMYJZHZ-UHFFFAOYSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C(C)C)C(C)C ZINC001146718840 767510523 /nfs/dbraw/zinc/51/05/23/767510523.db2.gz HPLUPIQCMYJZHZ-UHFFFAOYSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@H](CC)N(C)C)C2)C1)C(N)=O ZINC001121798556 767637335 /nfs/dbraw/zinc/63/73/35/767637335.db2.gz PBSUIEUFKBMXEG-NDEDZJTOSA-N 1 3 324.469 0.608 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203026759 768526309 /nfs/dbraw/zinc/52/63/09/768526309.db2.gz AUHXMOFSXSHUJC-STQMWFEESA-N 1 3 322.453 0.234 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150590097 769132816 /nfs/dbraw/zinc/13/28/16/769132816.db2.gz YQAAVHICVQQHQZ-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150590097 769132821 /nfs/dbraw/zinc/13/28/21/769132821.db2.gz YQAAVHICVQQHQZ-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CCOCCN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150707452 769165719 /nfs/dbraw/zinc/16/57/19/769165719.db2.gz YMSAVBQKWVITKL-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO CCOCCN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150707452 769165720 /nfs/dbraw/zinc/16/57/20/769165720.db2.gz YMSAVBQKWVITKL-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO Cc1nc(N)ccc1CN1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001232341582 769306340 /nfs/dbraw/zinc/30/63/40/769306340.db2.gz ABAFYAYCHOGKAP-CQSZACIVSA-N 1 3 305.426 0.614 20 0 DCADHO Cc1nc(N)ccc1C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001232341582 769306350 /nfs/dbraw/zinc/30/63/50/769306350.db2.gz ABAFYAYCHOGKAP-CQSZACIVSA-N 1 3 305.426 0.614 20 0 DCADHO Cc1nc(N)ccc1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001232341582 769306363 /nfs/dbraw/zinc/30/63/63/769306363.db2.gz ABAFYAYCHOGKAP-CQSZACIVSA-N 1 3 305.426 0.614 20 0 DCADHO Cc1nc(N)ccc1CN1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001232341582 769306370 /nfs/dbraw/zinc/30/63/70/769306370.db2.gz ABAFYAYCHOGKAP-CQSZACIVSA-N 1 3 305.426 0.614 20 0 DCADHO CCN(CC)CC(=O)NC1(CCOC)CC[NH+](CCO)CC1 ZINC001151363319 769322349 /nfs/dbraw/zinc/32/23/49/769322349.db2.gz PPXWAPJMXNANDD-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001171769868 769372007 /nfs/dbraw/zinc/37/20/07/769372007.db2.gz GRMBUVSPXVAXGZ-ZDUSSCGKSA-N 1 3 321.487 0.105 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F ZINC001171762983 769371378 /nfs/dbraw/zinc/37/13/78/769371378.db2.gz OYYCTKVBJAIIJS-LBPRGKRZSA-N 1 3 307.385 0.848 20 0 DCADHO O=C1CC[C@@H]2C[C@H](N3CCN(CC[NH+]4CCCC4)CC3)CCN12 ZINC001172180239 769455729 /nfs/dbraw/zinc/45/57/29/769455729.db2.gz SCNYRRYMVFTHQJ-IAGOWNOFSA-N 1 3 320.481 0.853 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001152148863 769491683 /nfs/dbraw/zinc/49/16/83/769491683.db2.gz SGOHJSJDBLNLGJ-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152222634 769509317 /nfs/dbraw/zinc/50/93/17/769509317.db2.gz ACADQBAKHWUCIC-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC001152433259 769556651 /nfs/dbraw/zinc/55/66/51/769556651.db2.gz ZTFPNXWWGMEYTC-OAHLLOKOSA-N 1 3 323.437 0.472 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445839 769558612 /nfs/dbraw/zinc/55/86/12/769558612.db2.gz OWKYVCSCYFWQOD-AWEZNQCLSA-N 1 3 303.447 0.066 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001175317582 769886684 /nfs/dbraw/zinc/88/66/84/769886684.db2.gz QADBLHQHHUSEKZ-ZFWWWQNUSA-N 1 3 324.473 0.920 20 0 DCADHO C[C@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001235573354 769897224 /nfs/dbraw/zinc/89/72/24/769897224.db2.gz HWHVNWYPGWILLF-ZJQBRPOHSA-N 1 3 308.382 0.089 20 0 DCADHO C[C@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001235573354 769897239 /nfs/dbraw/zinc/89/72/39/769897239.db2.gz HWHVNWYPGWILLF-ZJQBRPOHSA-N 1 3 308.382 0.089 20 0 DCADHO [NH3+]CCN1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001235617857 769913517 /nfs/dbraw/zinc/91/35/17/769913517.db2.gz HTRUNCMTSOJVGZ-UHFFFAOYSA-N 1 3 304.438 0.955 20 0 DCADHO C[C@@H]([NH3+])CN1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001235629887 769918115 /nfs/dbraw/zinc/91/81/15/769918115.db2.gz VOVDSUDKLQNOHR-CYBMUJFWSA-N 1 3 305.426 0.392 20 0 DCADHO COC(=O)[C@@H]1CNCCN1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001236056380 769974901 /nfs/dbraw/zinc/97/49/01/769974901.db2.gz FMFSWUXIFSFMGP-HNNXBMFYSA-N 1 3 309.385 0.834 20 0 DCADHO FC(F)(F)[C@@H]1CNCCN1Cc1cnc2n1CC[NH2+]CC2 ZINC001236976115 770028279 /nfs/dbraw/zinc/02/82/79/770028279.db2.gz MZGAKXTWJQBWRT-NSHDSACASA-N 1 3 303.332 0.365 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1ccc3n1CCNC3)CC2 ZINC001237062587 770032216 /nfs/dbraw/zinc/03/22/16/770032216.db2.gz NOHIYLGPVMHECD-RDJZCZTQSA-N 1 3 318.421 0.318 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCOCCO)N(C)C ZINC001154001320 770033207 /nfs/dbraw/zinc/03/32/07/770033207.db2.gz SYNFPOITYGLNOA-ZIAGYGMSSA-N 1 3 303.447 0.162 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCOCCO)N(C)C ZINC001154001320 770033217 /nfs/dbraw/zinc/03/32/17/770033217.db2.gz SYNFPOITYGLNOA-ZIAGYGMSSA-N 1 3 303.447 0.162 20 0 DCADHO CN1[C@@H]2CCC[C@H]1C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C2 ZINC001238575515 770118103 /nfs/dbraw/zinc/11/81/03/770118103.db2.gz GDMQVZJJJYNGOK-QDMKHBRRSA-N 1 3 315.483 0.921 20 0 DCADHO C[C@H](CCCCNCc1cn(C)nn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563186 770126042 /nfs/dbraw/zinc/12/60/42/770126042.db2.gz CALMYJSFXMAAFM-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H](CCCCNCc1cn(C)nn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563186 770126046 /nfs/dbraw/zinc/12/60/46/770126046.db2.gz CALMYJSFXMAAFM-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](C)O)CCCO1 ZINC001150625354 770171216 /nfs/dbraw/zinc/17/12/16/770171216.db2.gz LDKUFGWXPSQOET-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](C)O)CCCO1 ZINC001150625354 770171221 /nfs/dbraw/zinc/17/12/21/770171221.db2.gz LDKUFGWXPSQOET-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO Cc1cc(-c2ncc3c(n2)CCNC3)cnc1N1CC[NH2+]CC1 ZINC001239721768 770228801 /nfs/dbraw/zinc/22/88/01/770228801.db2.gz YAKAUZYCCIKSBR-UHFFFAOYSA-N 1 3 310.405 0.902 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001176948169 770249719 /nfs/dbraw/zinc/24/97/19/770249719.db2.gz JEBSAWVLDSJESF-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCCCn1cncn1 ZINC001176974792 770265912 /nfs/dbraw/zinc/26/59/12/770265912.db2.gz AXLNBSBRMJNUOX-UHFFFAOYSA-N 1 3 324.473 0.885 20 0 DCADHO CN(Cc1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc1)C1CC1 ZINC001155580669 770555358 /nfs/dbraw/zinc/55/53/58/770555358.db2.gz NQFSITHVJGEHOQ-CZUORRHYSA-N 1 3 301.394 0.666 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](O)COC ZINC001155900453 770652973 /nfs/dbraw/zinc/65/29/73/770652973.db2.gz TXYRARXKPPXEBR-ZIAGYGMSSA-N 1 3 303.447 0.162 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](O)COC ZINC001155900453 770652978 /nfs/dbraw/zinc/65/29/78/770652978.db2.gz TXYRARXKPPXEBR-ZIAGYGMSSA-N 1 3 303.447 0.162 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178355931 770730075 /nfs/dbraw/zinc/73/00/75/770730075.db2.gz DJAYUYATOXFYAY-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178815925 770885084 /nfs/dbraw/zinc/88/50/84/770885084.db2.gz OPBHLPTVJQWWJG-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001178902548 770897961 /nfs/dbraw/zinc/89/79/61/770897961.db2.gz WDCYGMCAHRIJCQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001179435056 771004138 /nfs/dbraw/zinc/00/41/38/771004138.db2.gz HOAWNBGBSRSICO-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(=O)NC1CC1 ZINC001179439609 771005897 /nfs/dbraw/zinc/00/58/97/771005897.db2.gz SUHJYKOCMBIPQD-YDHLFZDLSA-N 1 3 324.469 0.574 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179856764 771026085 /nfs/dbraw/zinc/02/60/85/771026085.db2.gz KDXIIIHJNRIDBM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179856764 771026094 /nfs/dbraw/zinc/02/60/94/771026094.db2.gz KDXIIIHJNRIDBM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001179976499 771041119 /nfs/dbraw/zinc/04/11/19/771041119.db2.gz QKKLMZZAAXHFNT-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001179976499 771041124 /nfs/dbraw/zinc/04/11/24/771041124.db2.gz QKKLMZZAAXHFNT-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C ZINC001179983116 771043778 /nfs/dbraw/zinc/04/37/78/771043778.db2.gz LNVHIEMNLVDSJZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001151066142 771358752 /nfs/dbraw/zinc/35/87/52/771358752.db2.gz QUUVRYFFNZOHSR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001151066142 771358758 /nfs/dbraw/zinc/35/87/58/771358758.db2.gz QUUVRYFFNZOHSR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)C(N)=O)C1)N(C)C ZINC001181885644 771363749 /nfs/dbraw/zinc/36/37/49/771363749.db2.gz ZFEHYQWKGMMZLT-BRXULGCHSA-N 1 3 312.458 0.275 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073013 771385545 /nfs/dbraw/zinc/38/55/45/771385545.db2.gz CXCOSLQWEIQMFL-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073013 771385548 /nfs/dbraw/zinc/38/55/48/771385548.db2.gz CXCOSLQWEIQMFL-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CCNS(=O)(=O)c1ccc(NC(=N)NCCCC[NH3+])nc1 ZINC001157099090 771534201 /nfs/dbraw/zinc/53/42/01/771534201.db2.gz KGRAVKGIQZSYAF-UHFFFAOYSA-N 1 3 314.415 0.055 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112974 771538316 /nfs/dbraw/zinc/53/83/16/771538316.db2.gz DTTKLPOKEAXFPS-CQSZACIVSA-N 1 3 310.446 0.445 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157112974 771538323 /nfs/dbraw/zinc/53/83/23/771538323.db2.gz DTTKLPOKEAXFPS-CQSZACIVSA-N 1 3 310.446 0.445 20 0 DCADHO CC[N@H+](CCOCCOC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114261 771539171 /nfs/dbraw/zinc/53/91/71/771539171.db2.gz UUHZCMCANRURGN-OAHLLOKOSA-N 1 3 317.474 0.816 20 0 DCADHO CC[N@@H+](CCOCCOC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114261 771539174 /nfs/dbraw/zinc/53/91/74/771539174.db2.gz UUHZCMCANRURGN-OAHLLOKOSA-N 1 3 317.474 0.816 20 0 DCADHO CN1CCN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H](c2ccccc2)C1 ZINC001157508362 771622744 /nfs/dbraw/zinc/62/27/44/771622744.db2.gz SRNAQXUATPVRDK-LSDHHAIUSA-N 1 3 322.478 0.521 20 0 DCADHO N[C@H]1CN(C(=O)[C@H](c2ccco2)N2CCC[NH2+]CC2)C[C@H]1F ZINC001157530822 771626873 /nfs/dbraw/zinc/62/68/73/771626873.db2.gz JRAQEWPTKAIIEM-DYEKYZERSA-N 1 3 310.373 0.124 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1)C1CC1 ZINC001183266571 771631074 /nfs/dbraw/zinc/63/10/74/771631074.db2.gz DRQIZHVEAVQQDX-ZBFHGGJFSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001157714911 771657544 /nfs/dbraw/zinc/65/75/44/771657544.db2.gz AGSBSHQKEVXZAH-JKSUJKDBSA-N 1 3 303.406 0.538 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001183647713 771675474 /nfs/dbraw/zinc/67/54/74/771675474.db2.gz IVAMJSGZBISUHN-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@](F)(CO)CC1 ZINC001157936164 771697473 /nfs/dbraw/zinc/69/74/73/771697473.db2.gz YFLWLCDFYDBLBV-ZFWWWQNUSA-N 1 3 313.417 0.574 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@](F)(CO)CC1 ZINC001157936164 771697476 /nfs/dbraw/zinc/69/74/76/771697476.db2.gz YFLWLCDFYDBLBV-ZFWWWQNUSA-N 1 3 313.417 0.574 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C[C@@H](O)CO)C(C)(C)C ZINC001158014407 771712450 /nfs/dbraw/zinc/71/24/50/771712450.db2.gz LHAJTPWYOVFFIO-KGLIPLIRSA-N 1 3 317.474 0.462 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187429 771736395 /nfs/dbraw/zinc/73/63/95/771736395.db2.gz PJJZZJZVBRHWAU-CKDBGZEDSA-N 1 3 303.406 0.870 20 0 DCADHO CN[C@@H](CO)C(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158248991 771745754 /nfs/dbraw/zinc/74/57/54/771745754.db2.gz KNFANMLOLIPDMX-UWVGGRQHSA-N 1 3 309.332 0.242 20 0 DCADHO Cn1ccc2c1ncnc2N1CCC([N@@H+]2CC[C@H](N)C2)CC1 ZINC001158258612 771747916 /nfs/dbraw/zinc/74/79/16/771747916.db2.gz DKDRGBOVSHSEGJ-LBPRGKRZSA-N 1 3 300.410 0.970 20 0 DCADHO Cn1ccc2c1ncnc2N1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001158258612 771747920 /nfs/dbraw/zinc/74/79/20/771747920.db2.gz DKDRGBOVSHSEGJ-LBPRGKRZSA-N 1 3 300.410 0.970 20 0 DCADHO Cn1cnc2c1ccnc2N1CCC([N@@H+]2CC[C@@H](N)C2)CC1 ZINC001158259627 771748749 /nfs/dbraw/zinc/74/87/49/771748749.db2.gz TXMZRTVEIKCACN-GFCCVEGCSA-N 1 3 300.410 0.970 20 0 DCADHO Cn1cnc2c1ccnc2N1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001158259627 771748753 /nfs/dbraw/zinc/74/87/53/771748753.db2.gz TXMZRTVEIKCACN-GFCCVEGCSA-N 1 3 300.410 0.970 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421952 771771901 /nfs/dbraw/zinc/77/19/01/771771901.db2.gz GWWZQPVZKWMTJT-JYJNAYRXSA-N 1 3 303.406 0.754 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551386 771803092 /nfs/dbraw/zinc/80/30/92/771803092.db2.gz MHBOXOZJSWPOJN-GDBMZVCRSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C1 ZINC001184713716 771816678 /nfs/dbraw/zinc/81/66/78/771816678.db2.gz TZEZCSNAPFPRNG-STQMWFEESA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNCc1cn(C)nn1 ZINC001185087187 771859767 /nfs/dbraw/zinc/85/97/67/771859767.db2.gz WFHSYXAPXAAONR-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159687925 771945158 /nfs/dbraw/zinc/94/51/58/771945158.db2.gz LONJLXRIKRKSFO-UYJPIKCFSA-N 1 3 308.426 0.056 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185722835 771949097 /nfs/dbraw/zinc/94/90/97/771949097.db2.gz BBDQPPPGQTVGAF-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001185723860 771950265 /nfs/dbraw/zinc/95/02/65/771950265.db2.gz QNBDEHALEQKGHC-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCc2ccnn2C)CCC1 ZINC001159854924 771968853 /nfs/dbraw/zinc/96/88/53/771968853.db2.gz XBFQSRVCAPINSB-UHFFFAOYSA-N 1 3 307.442 0.543 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC001159915777 771976427 /nfs/dbraw/zinc/97/64/27/771976427.db2.gz NTZZIVQLWGKBQB-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)nn1 ZINC001159915357 771976692 /nfs/dbraw/zinc/97/66/92/771976692.db2.gz JRWQABASQVIDSH-OAHLLOKOSA-N 1 3 321.425 0.421 20 0 DCADHO CO[C@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CCC1 ZINC001185925254 771976771 /nfs/dbraw/zinc/97/67/71/771976771.db2.gz KZSFFCLQCPAKDJ-UKRRQHHQSA-N 1 3 306.410 0.958 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)NCC1CC1)C1CCC1 ZINC001159997316 771986443 /nfs/dbraw/zinc/98/64/43/771986443.db2.gz LNRCLWGHIPGKFC-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO COC(=O)c1cccc2c1CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160565612 772066820 /nfs/dbraw/zinc/06/68/20/772066820.db2.gz UCWUVLRQZJABPK-AWEZNQCLSA-N 1 3 305.378 0.772 20 0 DCADHO CN(CCC(=O)c1ccccc1)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160589978 772073150 /nfs/dbraw/zinc/07/31/50/772073150.db2.gz JNGYVHDJCCAAOL-CRAIPNDOSA-N 1 3 315.417 0.917 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001186808993 772089813 /nfs/dbraw/zinc/08/98/13/772089813.db2.gz WWFHFOUSVOIQDR-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001186808993 772089817 /nfs/dbraw/zinc/08/98/17/772089817.db2.gz WWFHFOUSVOIQDR-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001186824668 772096962 /nfs/dbraw/zinc/09/69/62/772096962.db2.gz FEWXIVDWSAJGNN-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C(C)C)C1 ZINC001186824668 772096967 /nfs/dbraw/zinc/09/69/67/772096967.db2.gz FEWXIVDWSAJGNN-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CN3)C[C@H]2C1 ZINC001160704288 772099945 /nfs/dbraw/zinc/09/99/45/772099945.db2.gz JCLNROFQVRSNAI-WHOHXGKFSA-N 1 3 305.344 0.937 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H](C(F)(F)F)CN3)C[C@H]2C1 ZINC001160704288 772099950 /nfs/dbraw/zinc/09/99/50/772099950.db2.gz JCLNROFQVRSNAI-WHOHXGKFSA-N 1 3 305.344 0.937 20 0 DCADHO CN(Cc1nc2ccccc2o1)C(=O)[C@@H](N)CSCC[NH3+] ZINC001160722015 772102958 /nfs/dbraw/zinc/10/29/58/772102958.db2.gz JHLBBEAMBJTWGD-JTQLQIEISA-N 1 3 308.407 0.805 20 0 DCADHO CCc1noc([C@@H]2CCCN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)n1 ZINC001160741184 772104404 /nfs/dbraw/zinc/10/44/04/772104404.db2.gz GPKJGNYTLXLJRN-VXGBXAGGSA-N 1 3 319.409 0.147 20 0 DCADHO C[C@](O)(C1CCN(C(=O)[C@H](N)CCC[NH3+])CC1)C(F)(F)F ZINC001160837068 772118767 /nfs/dbraw/zinc/11/87/67/772118767.db2.gz AUPRSWSEPJQGGY-PWSUYJOCSA-N 1 3 311.348 0.605 20 0 DCADHO N[C@@H](C(=O)N1CCO[C@@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160874903 772130834 /nfs/dbraw/zinc/13/08/34/772130834.db2.gz HFLSSWBXHGNGGJ-DLBZAZTESA-N 1 3 317.433 0.783 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N(CC)CC)N(C)C ZINC001160883356 772132291 /nfs/dbraw/zinc/13/22/91/772132291.db2.gz KZMXPFFJXWXBSU-CYBMUJFWSA-N 1 3 300.447 0.291 20 0 DCADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN([C@@H]4CC[NH2+]C4)C3)C[C@H]21 ZINC001161082361 772163516 /nfs/dbraw/zinc/16/35/16/772163516.db2.gz NRPYFYAGKHMZIF-QBPKDAKJSA-N 1 3 320.481 0.613 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001187306177 772172186 /nfs/dbraw/zinc/17/21/86/772172186.db2.gz FJLXJKKWOXBTGD-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCN(CCC(=O)N2CCC(C3CC[NH2+]CC3)CC2)CC1 ZINC001161203329 772183793 /nfs/dbraw/zinc/18/37/93/772183793.db2.gz ATFDWNZICFILRD-UHFFFAOYSA-N 1 3 322.497 0.862 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161251029 772191075 /nfs/dbraw/zinc/19/10/75/772191075.db2.gz JELJBCYOGMYVFZ-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246813 772190043 /nfs/dbraw/zinc/19/00/43/772190043.db2.gz PTBZKGBFGHMGKN-IINYFYTJSA-N 1 3 303.378 0.206 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161261619 772192911 /nfs/dbraw/zinc/19/29/11/772192911.db2.gz HLOKFYZUPCJQJK-RYUDHWBXSA-N 1 3 312.458 0.465 20 0 DCADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](N)Cc2c[nH]cn2)CC1 ZINC001161305937 772199682 /nfs/dbraw/zinc/19/96/82/772199682.db2.gz CYNJGNWEYVFSRN-CQSZACIVSA-N 1 3 314.393 0.332 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001161439554 772224052 /nfs/dbraw/zinc/22/40/52/772224052.db2.gz VVOVLUGAZNQFPU-UKRRQHHQSA-N 1 3 318.421 0.426 20 0 DCADHO COc1cncc(N)c1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448327 772225428 /nfs/dbraw/zinc/22/54/28/772225428.db2.gz BNWIIEKPXWEUNN-GFCCVEGCSA-N 1 3 321.425 0.428 20 0 DCADHO CCCCOC(=O)[C@@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161461916 772227492 /nfs/dbraw/zinc/22/74/92/772227492.db2.gz VBMBIRVFLLBRIO-NEPJUHHUSA-N 1 3 317.455 0.197 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188098732 772265765 /nfs/dbraw/zinc/26/57/65/772265765.db2.gz CNEUWKQEAKKCTR-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001188140233 772271242 /nfs/dbraw/zinc/27/12/42/772271242.db2.gz ZVLPGOPFOSXDGG-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](F)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872145 772427329 /nfs/dbraw/zinc/42/73/29/772427329.db2.gz HYGVVIGUVDXTRD-IOSBVQAASA-N 1 3 313.417 0.694 20 0 DCADHO [NH3+][C@H]1COC[C@H]1Nc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001162924560 772432729 /nfs/dbraw/zinc/43/27/29/772432729.db2.gz BBXLHZIVWZMQHB-RRFJBIMHSA-N 1 3 302.378 0.738 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189477605 772478299 /nfs/dbraw/zinc/47/82/99/772478299.db2.gz IBNCVXZVKOZESH-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001189477605 772478301 /nfs/dbraw/zinc/47/83/01/772478301.db2.gz IBNCVXZVKOZESH-SOUVJXGZSA-N 1 3 322.453 0.092 20 0 DCADHO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3c(c2)COC32CNC2)N1 ZINC001163254438 772493551 /nfs/dbraw/zinc/49/35/51/772493551.db2.gz NOWPLFHWVUTLLU-BBRMVZONSA-N 1 3 300.362 0.005 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001189871370 772547698 /nfs/dbraw/zinc/54/76/98/772547698.db2.gz LROSTTXPVSJPJH-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001190776587 772676960 /nfs/dbraw/zinc/67/69/60/772676960.db2.gz QDLKAIXLIUBRHZ-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001190776587 772676961 /nfs/dbraw/zinc/67/69/61/772676961.db2.gz QDLKAIXLIUBRHZ-GJZGRUSLSA-N 1 3 315.458 0.114 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001165809933 772764295 /nfs/dbraw/zinc/76/42/95/772764295.db2.gz UVDRAFNPVPEVSQ-LBPRGKRZSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001166627614 772830940 /nfs/dbraw/zinc/83/09/40/772830940.db2.gz XPECCGPJTAOEJC-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001166634460 772832225 /nfs/dbraw/zinc/83/22/25/772832225.db2.gz SOYSYYWRSMGJJA-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166668288 772837486 /nfs/dbraw/zinc/83/74/86/772837486.db2.gz XYKJRSAJOSUHBW-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001166668104 772837546 /nfs/dbraw/zinc/83/75/46/772837546.db2.gz RAVBWWMGNUUMAD-CQSZACIVSA-N 1 3 320.437 0.323 20 0 DCADHO CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047851 772856554 /nfs/dbraw/zinc/85/65/54/772856554.db2.gz VXOIPWGPFMKTKV-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001166765148 772857733 /nfs/dbraw/zinc/85/77/33/772857733.db2.gz UHDSZEZAXVZBNS-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(CC)CC)N(C)C ZINC001166852114 772870641 /nfs/dbraw/zinc/87/06/41/772870641.db2.gz MGXSIMNNPXGCRQ-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(C)C)N(C)C ZINC001166852334 772870862 /nfs/dbraw/zinc/87/08/62/772870862.db2.gz PPJZUXZBQZQUQU-GJZGRUSLSA-N 1 3 317.474 0.456 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O)N(C)C ZINC001166852318 772870963 /nfs/dbraw/zinc/87/09/63/772870963.db2.gz PCPOCRZSRSZTEH-OLZOCXBDSA-N 1 3 321.487 0.103 20 0 DCADHO COCC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203658852 772918138 /nfs/dbraw/zinc/91/81/38/772918138.db2.gz DUMUVJSICYLOHI-KBPBESRZSA-N 1 3 306.410 0.924 20 0 DCADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC(C[NH2+]CCF)CC1 ZINC001205345284 772988500 /nfs/dbraw/zinc/98/85/00/772988500.db2.gz OBHDIDGLNFGAFU-LSDHHAIUSA-N 1 3 313.417 0.647 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCOCCO)CC1)N(C)C ZINC001206302146 773064367 /nfs/dbraw/zinc/06/43/67/773064367.db2.gz UAMROFPTQLGXPP-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001206954466 773147671 /nfs/dbraw/zinc/14/76/71/773147671.db2.gz KEGHNKJTLNRBMX-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+]1CCC(CN2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)CC1 ZINC001207396112 773199199 /nfs/dbraw/zinc/19/91/99/773199199.db2.gz CQCCVLKARVEHJU-BRWVUGGUSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152146341 773265694 /nfs/dbraw/zinc/26/56/94/773265694.db2.gz ILESQVISDRFGKI-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C[C@@H]1CCCO1)CC2 ZINC001207851287 773316216 /nfs/dbraw/zinc/31/62/16/773316216.db2.gz WNAZUAXHPUZZKB-INIZCTEOSA-N 1 3 319.449 0.990 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@@H]1CCCO1)CC2 ZINC001207851287 773316222 /nfs/dbraw/zinc/31/62/22/773316222.db2.gz WNAZUAXHPUZZKB-INIZCTEOSA-N 1 3 319.449 0.990 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328589 773433738 /nfs/dbraw/zinc/43/37/38/773433738.db2.gz GDCGCZRGZYGZFX-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491148 773476416 /nfs/dbraw/zinc/47/64/16/773476416.db2.gz ATDYSICSUCVKAT-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO Cc1noc(CCCN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001208492825 773477438 /nfs/dbraw/zinc/47/74/38/773477438.db2.gz QROFHWJXKHSSII-TZMCWYRMSA-N 1 3 323.441 0.699 20 0 DCADHO C[N@@H+]1CCC[C@H](CN2CCC(NC(=O)N3CCOCC3)CC2)C1 ZINC001208615114 773505858 /nfs/dbraw/zinc/50/58/58/773505858.db2.gz GTIIYTFSFKMLQN-HNNXBMFYSA-N 1 3 324.469 0.834 20 0 DCADHO C[N@H+]1CCC[C@H](CN2CCC(NC(=O)N3CCOCC3)CC2)C1 ZINC001208615114 773505862 /nfs/dbraw/zinc/50/58/62/773505862.db2.gz GTIIYTFSFKMLQN-HNNXBMFYSA-N 1 3 324.469 0.834 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631904 773627371 /nfs/dbraw/zinc/62/73/71/773627371.db2.gz IDJUFRFATVCHLB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209642889 773629513 /nfs/dbraw/zinc/62/95/13/773629513.db2.gz PZFTVZJSTMZNCD-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc(N2CCCC2)n1 ZINC001196673338 773631084 /nfs/dbraw/zinc/63/10/84/773631084.db2.gz XOELOZBXECXXQV-UHFFFAOYSA-N 1 3 304.398 0.756 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210283419 773693816 /nfs/dbraw/zinc/69/38/16/773693816.db2.gz OQSORIRLOAABKX-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674372 773728601 /nfs/dbraw/zinc/72/86/01/773728601.db2.gz UKLNAPPDQKYWSW-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674372 773728609 /nfs/dbraw/zinc/72/86/09/773728609.db2.gz UKLNAPPDQKYWSW-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001210812248 773741420 /nfs/dbraw/zinc/74/14/20/773741420.db2.gz VQUUVXNDUSLWQM-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCN(Cc2cccc(-c3noc([C@@H](O)C[NH3+])n3)c2)CC1 ZINC001211417171 773801753 /nfs/dbraw/zinc/80/17/53/773801753.db2.gz ARACSUYDFVMVMK-AWEZNQCLSA-N 1 3 317.393 0.476 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819575 773811951 /nfs/dbraw/zinc/81/19/51/773811951.db2.gz GUEWZUDCEKWFBG-LRPXVYOUSA-N 1 3 307.438 0.600 20 0 DCADHO COCCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346362 773836902 /nfs/dbraw/zinc/83/69/02/773836902.db2.gz JVOBNYILDIXUIT-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@@H](CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1)OC ZINC001213348215 773837171 /nfs/dbraw/zinc/83/71/71/773837171.db2.gz IKPFTWQWIQHJBT-RRFJBIMHSA-N 1 3 315.458 0.569 20 0 DCADHO CO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378231 773838979 /nfs/dbraw/zinc/83/89/79/773838979.db2.gz IEIGHFFSAOURMF-RBSFLKMASA-N 1 3 313.442 0.323 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCc1cncn1C)[NH+]1CCCC1 ZINC001152471615 773945056 /nfs/dbraw/zinc/94/50/56/773945056.db2.gz MUNNPJOKIJSJMX-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC1CC1 ZINC001215423505 774072063 /nfs/dbraw/zinc/07/20/63/774072063.db2.gz OHHSSTYWGNZPSP-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC001203932616 774082192 /nfs/dbraw/zinc/08/21/92/774082192.db2.gz LKFMLPDEYHYZSZ-ZDUSSCGKSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001216510987 774120351 /nfs/dbraw/zinc/12/03/51/774120351.db2.gz HTQXALMMYZFQLB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788027 774198517 /nfs/dbraw/zinc/19/85/17/774198517.db2.gz IFEXXLIKCKEQIT-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H]1CC[C@@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)C[NH2+]1 ZINC001218409811 774224312 /nfs/dbraw/zinc/22/43/12/774224312.db2.gz WEQGQKSRIYYCLS-YUTCNCBUSA-N 1 3 321.421 0.870 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c1 ZINC001218494284 774228337 /nfs/dbraw/zinc/22/83/37/774228337.db2.gz MSTJLHNJFJTRMS-RMRHIDDWSA-N 1 3 319.405 0.479 20 0 DCADHO O=C(Nc1cnc2c(c1)COCC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218501068 774229693 /nfs/dbraw/zinc/22/96/93/774229693.db2.gz HSCUIIKMOIYLEY-MLGOLLRUSA-N 1 3 302.378 0.292 20 0 DCADHO CC(C)(C)OC(=O)Nc1cc(NC(=O)[C@H](N)CCC[NH3+])ncn1 ZINC001218575121 774253537 /nfs/dbraw/zinc/25/35/37/774253537.db2.gz CIQQCGUHGAJNDN-SECBINFHSA-N 1 3 324.385 0.828 20 0 DCADHO Cc1cc(C)n2nc(NC(=O)[C@H](N)C3CC[NH2+]CC3)cc2n1 ZINC001218627593 774266783 /nfs/dbraw/zinc/26/67/83/774266783.db2.gz GINPFMYXRVLBPS-CQSZACIVSA-N 1 3 302.382 0.612 20 0 DCADHO CCOC(=O)c1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cnc1C ZINC001218637029 774269334 /nfs/dbraw/zinc/26/93/34/774269334.db2.gz NZRUSAPCVOXSJD-CQSZACIVSA-N 1 3 320.393 0.832 20 0 DCADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CNC[C@H](F)C1 ZINC001218725941 774289380 /nfs/dbraw/zinc/28/93/80/774289380.db2.gz BXLKDSOGBPGIHJ-NQBHXWOUSA-N 1 3 308.357 0.708 20 0 DCADHO Nc1cnc(N(CC(F)(F)F)C(=O)[C@@H](N)CCCC[NH3+])nc1 ZINC001218741445 774293172 /nfs/dbraw/zinc/29/31/72/774293172.db2.gz VTCDCWZTOBAJOY-VIFPVBQESA-N 1 3 320.319 0.410 20 0 DCADHO O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218886200 774321257 /nfs/dbraw/zinc/32/12/57/774321257.db2.gz SGTTTZQKHDXCQM-ZDUSSCGKSA-N 1 3 314.389 0.326 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937063 774331716 /nfs/dbraw/zinc/33/17/16/774331716.db2.gz JDRZXTXVHNLSCA-CQSZACIVSA-N 1 3 305.378 0.594 20 0 DCADHO N[C@H](C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O)C1CC[NH2+]CC1 ZINC001218991167 774343535 /nfs/dbraw/zinc/34/35/35/774343535.db2.gz QCVTYNAGMPDZKM-LBPRGKRZSA-N 1 3 317.349 0.306 20 0 DCADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@H]1COC2(CNC2)CN1 ZINC001218997124 774344992 /nfs/dbraw/zinc/34/49/92/774344992.db2.gz RXEYMBXNHAXKIE-DZGCQCFKSA-N 1 3 316.405 0.032 20 0 DCADHO C[C@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]C[C@@H]1O ZINC001219027950 774349874 /nfs/dbraw/zinc/34/98/74/774349874.db2.gz JCDMBYGYHBAPSY-HOCLYGCPSA-N 1 3 305.378 0.468 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)Nc1ccc2c(c1)CNCCO2 ZINC001219028254 774350563 /nfs/dbraw/zinc/35/05/63/774350563.db2.gz WQHFWYGWALRYGV-MRXNPFEDSA-N 1 3 305.378 0.612 20 0 DCADHO N[C@@H](C(=O)Nc1c(F)cccc1OC1COC1)C1CC[NH2+]CC1 ZINC001219382610 774472425 /nfs/dbraw/zinc/47/24/25/774472425.db2.gz UIXWDSWJOPRZEC-CQSZACIVSA-N 1 3 323.368 0.869 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC001201327485 774489247 /nfs/dbraw/zinc/48/92/47/774489247.db2.gz OWNLXRAUZAENNE-GFCCVEGCSA-N 1 3 312.458 0.432 20 0 DCADHO COC(=O)c1nc2cc(NC(=O)[C@H](N)CCC[NH3+])ccc2o1 ZINC001219439584 774495372 /nfs/dbraw/zinc/49/53/72/774495372.db2.gz LKYJNVRXWSKTHE-SECBINFHSA-N 1 3 306.322 0.619 20 0 DCADHO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219552189 774533536 /nfs/dbraw/zinc/53/35/36/774533536.db2.gz VSONHNRUEUHJKU-CYBMUJFWSA-N 1 3 317.389 0.906 20 0 DCADHO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219552189 774533539 /nfs/dbraw/zinc/53/35/39/774533539.db2.gz VSONHNRUEUHJKU-CYBMUJFWSA-N 1 3 317.389 0.906 20 0 DCADHO Cc1cnc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)nc1 ZINC001219601293 774552700 /nfs/dbraw/zinc/55/27/00/774552700.db2.gz PVHHITXCRPJCIW-ZDUSSCGKSA-N 1 3 303.410 0.318 20 0 DCADHO Cc1cnc(CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)nc1 ZINC001219601293 774552703 /nfs/dbraw/zinc/55/27/03/774552703.db2.gz PVHHITXCRPJCIW-ZDUSSCGKSA-N 1 3 303.410 0.318 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219644996 774570285 /nfs/dbraw/zinc/57/02/85/774570285.db2.gz HJUDKAPVRJYHIQ-RQJABVFESA-N 1 3 312.458 0.226 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001201931237 774572644 /nfs/dbraw/zinc/57/26/44/774572644.db2.gz JITLDGQAMHWUEI-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1csc([C@H]2CCCN2)n1 ZINC001219739557 774594968 /nfs/dbraw/zinc/59/49/68/774594968.db2.gz RFYAEGBCNMGYMD-GHMZBOCLSA-N 1 3 322.434 0.676 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219784908 774606206 /nfs/dbraw/zinc/60/62/06/774606206.db2.gz UUJZKDLFBPQGJT-DOMZBBRYSA-N 1 3 316.409 0.007 20 0 DCADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1CNC[C@H](F)C1 ZINC001219788954 774608728 /nfs/dbraw/zinc/60/87/28/774608728.db2.gz UAEVAXNRASETMH-HZSPNIEDSA-N 1 3 308.401 0.661 20 0 DCADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1csc2c1CCNC2 ZINC001219814579 774618524 /nfs/dbraw/zinc/61/85/24/774618524.db2.gz GYPSLCILVDASCD-BONVTDFDSA-N 1 3 307.419 0.360 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c(C)c1 ZINC001219847501 774626580 /nfs/dbraw/zinc/62/65/80/774626580.db2.gz JDTIPFONQRMCQG-LUKYLMHMSA-N 1 3 317.433 0.809 20 0 DCADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001219999524 774664878 /nfs/dbraw/zinc/66/48/78/774664878.db2.gz WFKHPEDKSKAXPD-JYJNAYRXSA-N 1 3 302.422 0.486 20 0 DCADHO Cc1c(NC(=O)[C@H](N)CCC[NH3+])c(=O)n(-c2ccccc2)n1C ZINC001220111280 774696145 /nfs/dbraw/zinc/69/61/45/774696145.db2.gz OLQGCCCKHXNFMC-CYBMUJFWSA-N 1 3 317.393 0.489 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001202495504 774721413 /nfs/dbraw/zinc/72/14/13/774721413.db2.gz FIKOHSPBVSUCRV-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496475 774727561 /nfs/dbraw/zinc/72/75/61/774727561.db2.gz SCFHJNFTJFLSRS-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CC(CN2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)C1 ZINC001220230647 774740573 /nfs/dbraw/zinc/74/05/73/774740573.db2.gz MAZGZBJRQYPBKZ-CVSAEHQPSA-N 1 3 309.454 0.536 20 0 DCADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001220317332 774770107 /nfs/dbraw/zinc/77/01/07/774770107.db2.gz XYTVDVCTPZLCGH-XJNFMUPTSA-N 1 3 323.437 0.172 20 0 DCADHO Cn1cc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)c2ccccc21 ZINC001220323684 774772084 /nfs/dbraw/zinc/77/20/84/774772084.db2.gz KEZIIKAGQLYGQC-HNNXBMFYSA-N 1 3 312.417 0.646 20 0 DCADHO O=C(Nc1cccn(CC2CC2)c1=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220341280 774778512 /nfs/dbraw/zinc/77/85/12/774778512.db2.gz WCOVFVZFSCXUGF-GFCCVEGCSA-N 1 3 302.378 0.006 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc[nH]c1 ZINC001220386211 774790893 /nfs/dbraw/zinc/79/08/93/774790893.db2.gz KMPZFWZCINVULD-KBPBESRZSA-N 1 3 321.425 0.078 20 0 DCADHO COc1ccc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)nc1 ZINC001220396651 774794868 /nfs/dbraw/zinc/79/48/68/774794868.db2.gz GTVMYXAJXDXTML-OAHLLOKOSA-N 1 3 318.421 0.623 20 0 DCADHO COc1ccc(CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)nc1 ZINC001220396651 774794870 /nfs/dbraw/zinc/79/48/70/774794870.db2.gz GTVMYXAJXDXTML-OAHLLOKOSA-N 1 3 318.421 0.623 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCOC)C[C@H]21 ZINC001114368434 774817404 /nfs/dbraw/zinc/81/74/04/774817404.db2.gz LRXZSBMFTCNYDL-XUWVNRHRSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCOC)C[C@H]21 ZINC001114368434 774817414 /nfs/dbraw/zinc/81/74/14/774817414.db2.gz LRXZSBMFTCNYDL-XUWVNRHRSA-N 1 3 309.454 0.944 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001220688274 774891475 /nfs/dbraw/zinc/89/14/75/774891475.db2.gz COFLYPBJGGHVSX-KGLIPLIRSA-N 1 3 303.422 0.629 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001220688274 774891481 /nfs/dbraw/zinc/89/14/81/774891481.db2.gz COFLYPBJGGHVSX-KGLIPLIRSA-N 1 3 303.422 0.629 20 0 DCADHO COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CCCCC1 ZINC001220730314 774903919 /nfs/dbraw/zinc/90/39/19/774903919.db2.gz VFBPGCXRESRPQN-KGLIPLIRSA-N 1 3 323.437 0.424 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743498 774906462 /nfs/dbraw/zinc/90/64/62/774906462.db2.gz FMGAWPVVJREBGL-HNNXBMFYSA-N 1 3 314.393 0.460 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000874823610 774916468 /nfs/dbraw/zinc/91/64/68/774916468.db2.gz BHIWQXBMVFYJIW-LSDHHAIUSA-N 1 3 305.426 0.753 20 0 DCADHO O=C(N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1[nH]nc2c1CCNC2 ZINC001220807331 774920429 /nfs/dbraw/zinc/92/04/29/774920429.db2.gz DMEBQDIVDMFEIJ-IUCAKERBSA-N 1 3 317.315 0.326 20 0 DCADHO NCc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)cn1 ZINC001220805774 774921028 /nfs/dbraw/zinc/92/10/28/774921028.db2.gz VFJPCZQMPBYKMQ-MNOVXSKESA-N 1 3 302.300 0.811 20 0 DCADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CN ZINC001221010298 774976549 /nfs/dbraw/zinc/97/65/49/774976549.db2.gz DXSJBSZAGGPSHH-LSDHHAIUSA-N 1 3 304.438 0.689 20 0 DCADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CN ZINC001221010298 774976555 /nfs/dbraw/zinc/97/65/55/774976555.db2.gz DXSJBSZAGGPSHH-LSDHHAIUSA-N 1 3 304.438 0.689 20 0 DCADHO COc1ncccc1[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001221022140 774981592 /nfs/dbraw/zinc/98/15/92/774981592.db2.gz UKSJSRWEZPVORG-HUUCEWRRSA-N 1 3 318.421 0.984 20 0 DCADHO CCCC[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001202668672 774985217 /nfs/dbraw/zinc/98/52/17/774985217.db2.gz UGRGFIDIFBRBKT-AWEZNQCLSA-N 1 3 321.425 0.577 20 0 DCADHO COC(=O)c1ccc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)[nH]1 ZINC001221079644 774991589 /nfs/dbraw/zinc/99/15/89/774991589.db2.gz HVSOEFFEICHWDN-LBPRGKRZSA-N 1 3 310.398 0.477 20 0 DCADHO COc1cccnc1C(C)(C)CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221168341 775014711 /nfs/dbraw/zinc/01/47/11/775014711.db2.gz IMUBOXDNUJQPDO-LBPRGKRZSA-N 1 3 318.421 0.293 20 0 DCADHO O=C(NCC1(c2ccc(F)cn2)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221175035 775016929 /nfs/dbraw/zinc/01/69/29/775016929.db2.gz XUMXMWAIYYFXJQ-LBPRGKRZSA-N 1 3 304.369 0.178 20 0 DCADHO O=C(NCCOc1cccc2ccoc21)[C@H]1C[NH2+]CC12CNC2 ZINC001221384420 775082301 /nfs/dbraw/zinc/08/23/01/775082301.db2.gz ZRVIKHPXWJUBQQ-CYBMUJFWSA-N 1 3 315.373 0.737 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CCCC[NH2+]C3)CC2)NC1 ZINC001221392134 775083733 /nfs/dbraw/zinc/08/37/33/775083733.db2.gz SMXRWUVDGBONFI-CQSZACIVSA-N 1 3 304.438 0.944 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221393207 775084190 /nfs/dbraw/zinc/08/41/90/775084190.db2.gz YLYQNCPJFDOTSU-CQSZACIVSA-N 1 3 304.438 0.800 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1CCSC12C[NH2+]C2 ZINC001221398446 775086993 /nfs/dbraw/zinc/08/69/93/775086993.db2.gz ZTSARAIOLOSIMD-LSDHHAIUSA-N 1 3 317.458 0.912 20 0 DCADHO CO[C@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001221398907 775087277 /nfs/dbraw/zinc/08/72/77/775087277.db2.gz JWHHWZWPFYNZLD-HRCADAONSA-N 1 3 303.406 0.584 20 0 DCADHO CC(C)[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cccc(N)n1 ZINC001221406987 775090453 /nfs/dbraw/zinc/09/04/53/775090453.db2.gz YLTFWRRLFXKHHF-SRCQZFHVSA-N 1 3 317.437 0.676 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001222186546 775294270 /nfs/dbraw/zinc/29/42/70/775294270.db2.gz LGNKTMAPAFCIQE-RDBSUJKOSA-N 1 3 319.396 0.168 20 0 DCADHO CN1CCC[C@@H](N2CCC(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001224337660 775561183 /nfs/dbraw/zinc/56/11/83/775561183.db2.gz LUCNIBAOTYUOIE-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095785496 775668696 /nfs/dbraw/zinc/66/86/96/775668696.db2.gz WOIZEGXJWFXAQC-TUBVSAOGSA-N 1 3 319.449 0.980 20 0 DCADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095785496 775668701 /nfs/dbraw/zinc/66/87/01/775668701.db2.gz WOIZEGXJWFXAQC-TUBVSAOGSA-N 1 3 319.449 0.980 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254755 776059288 /nfs/dbraw/zinc/05/92/88/776059288.db2.gz HIYNOMYVJPDPGX-HUUCEWRRSA-N 1 3 322.457 0.674 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001229908004 776235729 /nfs/dbraw/zinc/23/57/29/776235729.db2.gz DLPQIOXWXKRJMC-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001229908004 776235735 /nfs/dbraw/zinc/23/57/35/776235735.db2.gz DLPQIOXWXKRJMC-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138831 776257827 /nfs/dbraw/zinc/25/78/27/776257827.db2.gz RSEGSDVDCRONHS-RRFJBIMHSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138831 776257831 /nfs/dbraw/zinc/25/78/31/776257831.db2.gz RSEGSDVDCRONHS-RRFJBIMHSA-N 1 3 324.469 0.480 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041711075 777443316 /nfs/dbraw/zinc/44/33/16/777443316.db2.gz BTAJKSANRAIFBZ-CZUORRHYSA-N 1 3 306.410 0.912 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041711075 777443317 /nfs/dbraw/zinc/44/33/17/777443317.db2.gz BTAJKSANRAIFBZ-CZUORRHYSA-N 1 3 306.410 0.912 20 0 DCADHO CN(CC[NH2+]CCO[C@@H]1CC1(F)F)C(=O)Cc1c[nH]cn1 ZINC001317633611 945129528 /nfs/dbraw/zinc/12/95/28/945129528.db2.gz GEURJYCFDATXDP-LLVKDONJSA-N 1 3 302.325 0.424 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@@H]3CCCOC3)C2)C1=O ZINC001273032805 945210906 /nfs/dbraw/zinc/21/09/06/945210906.db2.gz CBNJRXGINATQGC-DOTOQJQBSA-N 1 3 309.454 0.899 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCOC3)C2)C1=O ZINC001273032805 945210912 /nfs/dbraw/zinc/21/09/12/945210912.db2.gz CBNJRXGINATQGC-DOTOQJQBSA-N 1 3 309.454 0.899 20 0 DCADHO CC[C@@H](C(=O)NCCCN1CC[NH+](CC2CC2)CC1)N(C)C ZINC001266276081 939042398 /nfs/dbraw/zinc/04/23/98/939042398.db2.gz YBZGMQIJYQBRPS-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001480908081 939296267 /nfs/dbraw/zinc/29/62/67/939296267.db2.gz OOYAAUBYQQEZIO-UHFFFAOYSA-N 1 3 321.469 0.835 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001267019470 939312477 /nfs/dbraw/zinc/31/24/77/939312477.db2.gz SMFCFITUFAGYCJ-KGLIPLIRSA-N 1 3 306.410 0.959 20 0 DCADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001267022383 939313440 /nfs/dbraw/zinc/31/34/40/939313440.db2.gz HEQPKFZULONOAF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146312 939388330 /nfs/dbraw/zinc/38/83/30/939388330.db2.gz YBVHZHMLSLDUNV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001408693946 939578973 /nfs/dbraw/zinc/57/89/73/939578973.db2.gz UHYHWNJSTQGVMZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001408693946 939578975 /nfs/dbraw/zinc/57/89/75/939578975.db2.gz UHYHWNJSTQGVMZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C1CCC1 ZINC001408829998 939685096 /nfs/dbraw/zinc/68/50/96/939685096.db2.gz DNYFQTBRRGFKIU-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)NCC)C1 ZINC001481269642 939685315 /nfs/dbraw/zinc/68/53/15/939685315.db2.gz KIFMLFPZTFAQOZ-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)NCC)C1 ZINC001481269642 939685316 /nfs/dbraw/zinc/68/53/16/939685316.db2.gz KIFMLFPZTFAQOZ-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C2CC[NH+](C)CC2)cn1 ZINC001481275812 939696584 /nfs/dbraw/zinc/69/65/84/939696584.db2.gz NPCIAXUXQUUMBP-UHFFFAOYSA-N 1 3 320.437 0.980 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315230 939743072 /nfs/dbraw/zinc/74/30/72/939743072.db2.gz SXARNQDPARYGAH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481315230 939743075 /nfs/dbraw/zinc/74/30/75/939743075.db2.gz SXARNQDPARYGAH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001481320028 939747198 /nfs/dbraw/zinc/74/71/98/939747198.db2.gz TVYFBMVJKZTJEB-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001268085157 939931797 /nfs/dbraw/zinc/93/17/97/939931797.db2.gz GYNHWDWRFKKUEH-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)NCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1)N(C)C ZINC001408924766 940188918 /nfs/dbraw/zinc/18/89/18/940188918.db2.gz VMANNIQOOYPJHB-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1)N(C)C ZINC001408924766 940188919 /nfs/dbraw/zinc/18/89/19/940188919.db2.gz VMANNIQOOYPJHB-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO O[C@@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COc1cccc(F)c1 ZINC001245971659 945302269 /nfs/dbraw/zinc/30/22/69/945302269.db2.gz GTTQMKADBPKPDC-AEGPPILISA-N 1 3 316.348 0.218 20 0 DCADHO O[C@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)c1ccc(F)c(F)c1 ZINC001245975620 945303813 /nfs/dbraw/zinc/30/38/13/945303813.db2.gz PDXKQCRWJXBGHY-HZSPNIEDSA-N 1 3 304.312 0.650 20 0 DCADHO O[C@@H](CNC[C@H]1CCC[NH2+]C1)COCC(F)(F)C(F)F ZINC001245984678 945304880 /nfs/dbraw/zinc/30/48/80/945304880.db2.gz XKNPUQNBPSHZHD-UWVGGRQHSA-N 1 3 302.312 0.854 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(=O)N1CCCC1 ZINC001482106817 940259556 /nfs/dbraw/zinc/25/95/56/940259556.db2.gz CLGIUFSNVIWOAH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001268603993 940294710 /nfs/dbraw/zinc/29/47/10/940294710.db2.gz SQEUUXKHXVCPAU-ZFDPJTLLSA-N 1 3 318.421 0.498 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001268615317 940300830 /nfs/dbraw/zinc/30/08/30/940300830.db2.gz ACYJKSSNAKEDJQ-YOIVVXPQSA-N 1 3 310.442 0.065 20 0 DCADHO C[C@H]1CN(C[C@@H](O)COc2ccc(CCO)cc2)C[C@H]1C[NH3+] ZINC001246016961 945316375 /nfs/dbraw/zinc/31/63/75/945316375.db2.gz ODDZKJLSLMGZQB-NUEKZKHPSA-N 1 3 308.422 0.488 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001268797214 940365203 /nfs/dbraw/zinc/36/52/03/940365203.db2.gz JGMGROIQQIUUPF-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCC[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCCN1C ZINC001268812246 940369074 /nfs/dbraw/zinc/36/90/74/940369074.db2.gz TZCKYPLLBJQKOB-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)COc1ccccc1 ZINC001246017186 945317985 /nfs/dbraw/zinc/31/79/85/945317985.db2.gz ASIOFXZZRBKLKK-HIFRSBDPSA-N 1 3 309.410 0.260 20 0 DCADHO Cc1nc(CNC[C@H]2CCCN2C(=O)CCCC[NH+](C)C)n[nH]1 ZINC001270174354 940849784 /nfs/dbraw/zinc/84/97/84/940849784.db2.gz LLBRIPRCJCPRNB-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482283894 940889539 /nfs/dbraw/zinc/88/95/39/940889539.db2.gz RCRDYLBRAKWLFU-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482283894 940889540 /nfs/dbraw/zinc/88/95/40/940889540.db2.gz RCRDYLBRAKWLFU-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001482326629 940993395 /nfs/dbraw/zinc/99/33/95/940993395.db2.gz UCONTOZBLWTHRM-LBPRGKRZSA-N 1 3 310.446 0.495 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001482460229 941274023 /nfs/dbraw/zinc/27/40/23/941274023.db2.gz IPVKLHNLNHDLCK-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)C1 ZINC001271222995 941328947 /nfs/dbraw/zinc/32/89/47/941328947.db2.gz JZPDOFFHLVRKTO-PMPSAXMXSA-N 1 3 317.437 0.510 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)C1 ZINC001271222995 941328951 /nfs/dbraw/zinc/32/89/51/941328951.db2.gz JZPDOFFHLVRKTO-PMPSAXMXSA-N 1 3 317.437 0.510 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001409088091 941461848 /nfs/dbraw/zinc/46/18/48/941461848.db2.gz XITNJWAWSOHEHE-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001482740175 941651418 /nfs/dbraw/zinc/65/14/18/941651418.db2.gz QZKHMKCBTCQYRU-GJZGRUSLSA-N 1 3 315.458 0.066 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CNC/C=C\Cl)CC1 ZINC001482781122 941662715 /nfs/dbraw/zinc/66/27/15/941662715.db2.gz NHERGJBCCIFEOJ-XSHSDMCLSA-N 1 3 317.861 0.926 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001482840379 941686505 /nfs/dbraw/zinc/68/65/05/941686505.db2.gz UVCBQJDNGFFLJJ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482923723 941713212 /nfs/dbraw/zinc/71/32/12/941713212.db2.gz CZSCHTVFVCQHNE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482923723 941713213 /nfs/dbraw/zinc/71/32/13/941713213.db2.gz CZSCHTVFVCQHNE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001483068833 941825502 /nfs/dbraw/zinc/82/55/02/941825502.db2.gz JAEGPWQLFHQXFQ-LAWSMPECSA-N 1 3 310.442 0.385 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001483068833 941825505 /nfs/dbraw/zinc/82/55/05/941825505.db2.gz JAEGPWQLFHQXFQ-LAWSMPECSA-N 1 3 310.442 0.385 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001483068823 941825560 /nfs/dbraw/zinc/82/55/60/941825560.db2.gz JAEGPWQLFHQXFQ-BEVHLOIGSA-N 1 3 310.442 0.385 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001483068823 941825563 /nfs/dbraw/zinc/82/55/63/941825563.db2.gz JAEGPWQLFHQXFQ-BEVHLOIGSA-N 1 3 310.442 0.385 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272243598 941881825 /nfs/dbraw/zinc/88/18/25/941881825.db2.gz URLCGCUDXIYYHY-KKUMJFAQSA-N 1 3 317.449 0.875 20 0 DCADHO CC[C@H](F)CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001272243598 941881830 /nfs/dbraw/zinc/88/18/30/941881830.db2.gz URLCGCUDXIYYHY-KKUMJFAQSA-N 1 3 317.449 0.875 20 0 DCADHO C[C@@H](NCc1ccnn1C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409396597 941978447 /nfs/dbraw/zinc/97/84/47/941978447.db2.gz KAIJAXVRGYCNLM-CHWSQXEVSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001413032883 942218920 /nfs/dbraw/zinc/21/89/20/942218920.db2.gz UKJHDSLSHPCFKS-WBVHZDCISA-N 1 3 311.470 0.486 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001413032883 942218923 /nfs/dbraw/zinc/21/89/23/942218923.db2.gz UKJHDSLSHPCFKS-WBVHZDCISA-N 1 3 311.470 0.486 20 0 DCADHO C[C@@H](CN(C)CCOCC(F)F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483416366 942345127 /nfs/dbraw/zinc/34/51/27/942345127.db2.gz AOYBEOINHCMWTD-RYUDHWBXSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@@H](CN(C)CCOCC(F)F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483416366 942345132 /nfs/dbraw/zinc/34/51/32/942345132.db2.gz AOYBEOINHCMWTD-RYUDHWBXSA-N 1 3 307.385 0.656 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+][C@@H]2CCCNC2=O)C2CC2)CCC1 ZINC001483567347 942426428 /nfs/dbraw/zinc/42/64/28/942426428.db2.gz ZYASXCAKBIHXLA-ZIAGYGMSSA-N 1 3 322.453 0.234 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001483599110 942452525 /nfs/dbraw/zinc/45/25/25/942452525.db2.gz PVIMLPSYBMCKKB-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001483599110 942452533 /nfs/dbraw/zinc/45/25/33/942452533.db2.gz PVIMLPSYBMCKKB-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO CN(CCO)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001484557743 943451240 /nfs/dbraw/zinc/45/12/40/943451240.db2.gz WZWULTYJUYSVOW-INIZCTEOSA-N 1 3 305.422 0.679 20 0 DCADHO CN(CCO)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001484557743 943451245 /nfs/dbraw/zinc/45/12/45/943451245.db2.gz WZWULTYJUYSVOW-INIZCTEOSA-N 1 3 305.422 0.679 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001484634973 943482990 /nfs/dbraw/zinc/48/29/90/943482990.db2.gz REJMWYIGNZGCGW-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001484634973 943482995 /nfs/dbraw/zinc/48/29/95/943482995.db2.gz REJMWYIGNZGCGW-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NC3CC3)CCC2)CC[N@@H+]1C ZINC001484634869 943483586 /nfs/dbraw/zinc/48/35/86/943483586.db2.gz XMWGAEBPUFUYJX-TZMCWYRMSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)NC3CC3)CCC2)CC[N@H+]1C ZINC001484634869 943483587 /nfs/dbraw/zinc/48/35/87/943483587.db2.gz XMWGAEBPUFUYJX-TZMCWYRMSA-N 1 3 322.453 0.234 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCC(=O)N3CCC3)CCC2)C1 ZINC001484660868 943498256 /nfs/dbraw/zinc/49/82/56/943498256.db2.gz SKVYENMPHYECHC-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCC(=O)N3CCC3)CCC2)C1 ZINC001484660868 943498259 /nfs/dbraw/zinc/49/82/59/943498259.db2.gz SKVYENMPHYECHC-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CC2CC2)CCOCC1 ZINC001484871106 943607690 /nfs/dbraw/zinc/60/76/90/943607690.db2.gz SMOHSONHJKWEGN-UHFFFAOYSA-N 1 3 306.410 0.926 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001491367842 943943218 /nfs/dbraw/zinc/94/32/18/943943218.db2.gz ZNQWCAMBQQCGLS-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001491366041 943943468 /nfs/dbraw/zinc/94/34/68/943943468.db2.gz CYHWCAOZIRVEGJ-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001491366041 943943475 /nfs/dbraw/zinc/94/34/75/943943475.db2.gz CYHWCAOZIRVEGJ-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCC[C@H](CN[C@H](C)C(=O)NC)NC(=O)C12CC[NH+](CC1)C2 ZINC001485470977 943951763 /nfs/dbraw/zinc/95/17/63/943951763.db2.gz VVWHSIRNNADPPT-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC001485766079 944124653 /nfs/dbraw/zinc/12/46/53/944124653.db2.gz XVMBDSTYBMLYLZ-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)CC(=O)N2CCC2)CC1 ZINC001485766079 944124657 /nfs/dbraw/zinc/12/46/57/944124657.db2.gz XVMBDSTYBMLYLZ-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890174 944154737 /nfs/dbraw/zinc/15/47/37/944154737.db2.gz IYCAHLXJHZRVPM-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890174 944154741 /nfs/dbraw/zinc/15/47/41/944154741.db2.gz IYCAHLXJHZRVPM-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000715511877 944232751 /nfs/dbraw/zinc/23/27/51/944232751.db2.gz NDKDFGIQVHCDGK-KGLIPLIRSA-N 1 3 303.472 0.873 20 0 DCADHO COC(CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1)OC ZINC001272862117 944284949 /nfs/dbraw/zinc/28/49/49/944284949.db2.gz RUSGLDPDVOOQIO-CYBMUJFWSA-N 1 3 313.442 0.385 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001485946935 944409636 /nfs/dbraw/zinc/40/96/36/944409636.db2.gz KYBWCJFNZTWXIU-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485955148 944413187 /nfs/dbraw/zinc/41/31/87/944413187.db2.gz GETRJIVKAHDVFO-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485955148 944413190 /nfs/dbraw/zinc/41/31/90/944413190.db2.gz GETRJIVKAHDVFO-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N2CCCCC2)CCN1C(=O)CC[NH+](C)C ZINC001486084951 944545157 /nfs/dbraw/zinc/54/51/57/944545157.db2.gz NFGUYSNHQPNHDR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@H]1C ZINC001486092015 944550744 /nfs/dbraw/zinc/55/07/44/944550744.db2.gz LNVHIEMNLVDSJZ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001316915296 944643760 /nfs/dbraw/zinc/64/37/60/944643760.db2.gz WEAVKTHASBTXTK-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001316915296 944643765 /nfs/dbraw/zinc/64/37/65/944643765.db2.gz WEAVKTHASBTXTK-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@H](C(N)=O)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001316926572 944653166 /nfs/dbraw/zinc/65/31/66/944653166.db2.gz KJQCDAJORVUAEL-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(N)=O)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001316926572 944653172 /nfs/dbraw/zinc/65/31/72/944653172.db2.gz KJQCDAJORVUAEL-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](C[C@@H]3COCCO3)C[C@H]2CC1 ZINC001277524190 944862413 /nfs/dbraw/zinc/86/24/13/944862413.db2.gz FQPOPDILHONVFR-IXDOHACOSA-N 1 3 320.437 0.969 20 0 DCADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](C[C@@H]3COCCO3)C[C@H]2CC1 ZINC001277524190 944862415 /nfs/dbraw/zinc/86/24/15/944862415.db2.gz FQPOPDILHONVFR-IXDOHACOSA-N 1 3 320.437 0.969 20 0 DCADHO COCCC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS(=O)(=O)CC1 ZINC001246388550 945402269 /nfs/dbraw/zinc/40/22/69/945402269.db2.gz FIKBXCXMKWMDTK-PBWFPOADSA-N 1 3 316.467 0.843 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CNCCC3(F)F)CCN1 ZINC001246635614 945448237 /nfs/dbraw/zinc/44/82/37/945448237.db2.gz DMKHFXAZFANHRW-MBNYWOFBSA-N 1 3 317.380 0.601 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CNCCC3(F)F)CCN1 ZINC001246635614 945448242 /nfs/dbraw/zinc/44/82/42/945448242.db2.gz DMKHFXAZFANHRW-MBNYWOFBSA-N 1 3 317.380 0.601 20 0 DCADHO O=C([C@H]1COC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21)N1CCCCO1 ZINC001246683551 945460438 /nfs/dbraw/zinc/46/04/38/945460438.db2.gz BCEFUKQQXDGHKK-BMFZPTHFSA-N 1 3 323.437 0.487 20 0 DCADHO O=C([C@H]1COC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21)N1CCCCO1 ZINC001246683551 945460443 /nfs/dbraw/zinc/46/04/43/945460443.db2.gz BCEFUKQQXDGHKK-BMFZPTHFSA-N 1 3 323.437 0.487 20 0 DCADHO O=C([C@H]1COC[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]21)N1CCCCO1 ZINC001246686593 945461196 /nfs/dbraw/zinc/46/11/96/945461196.db2.gz MFBINPYMDYRQIX-QXSJWSMHSA-N 1 3 323.437 0.487 20 0 DCADHO C[C@H]1CC[C@H](N2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)C[NH2+]1 ZINC001246740834 945477908 /nfs/dbraw/zinc/47/79/08/945477908.db2.gz HODOGALEIALMAC-NPJQDHAYSA-N 1 3 323.437 0.485 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CCN1 ZINC001246738976 945479615 /nfs/dbraw/zinc/47/96/15/945479615.db2.gz HZEBJMMPJKDMSF-ZIRHEVKLSA-N 1 3 307.438 0.885 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CCN1 ZINC001246738976 945479618 /nfs/dbraw/zinc/47/96/18/945479618.db2.gz HZEBJMMPJKDMSF-ZIRHEVKLSA-N 1 3 307.438 0.885 20 0 DCADHO CC(C)NC(=O)c1nn([C@@H]2CC[NH2+][C@H](C)C2)c2c1CNCC2 ZINC001246760717 945483702 /nfs/dbraw/zinc/48/37/02/945483702.db2.gz XRIRDDZMJNXXJN-VXGBXAGGSA-N 1 3 305.426 0.980 20 0 DCADHO C[C@@H]1C[C@H](N2CCC(C(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC001246807898 945494378 /nfs/dbraw/zinc/49/43/78/945494378.db2.gz UZIWTLSQMSCFSK-GDBMZVCRSA-N 1 3 308.470 0.613 20 0 DCADHO Clc1ccnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246812462 945496606 /nfs/dbraw/zinc/49/66/06/945496606.db2.gz DMRWDKFZKBOAAX-CQSZACIVSA-N 1 3 321.856 0.951 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246870938 945511127 /nfs/dbraw/zinc/51/11/27/945511127.db2.gz LUVACWMFSSEWGY-XHSDSOJGSA-N 1 3 324.469 0.025 20 0 DCADHO FC(F)(F)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CCNC2 ZINC001246892969 945514138 /nfs/dbraw/zinc/51/41/38/945514138.db2.gz PJHOUCYYOYAYRD-SECBINFHSA-N 1 3 315.343 0.814 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246974855 945533050 /nfs/dbraw/zinc/53/30/50/945533050.db2.gz KDSJFYRUBNSWTE-XHSDSOJGSA-N 1 3 324.469 0.168 20 0 DCADHO Cn1c(CN2CCN(CC3CC[NH+](C)CC3)CC2)cccc1=O ZINC001248809537 945609701 /nfs/dbraw/zinc/60/97/01/945609701.db2.gz AMTZPLLZINFAHC-UHFFFAOYSA-N 1 3 318.465 0.845 20 0 DCADHO C[C@H](CC[NH2+]CCN1CCCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001320550117 945919860 /nfs/dbraw/zinc/91/98/60/945919860.db2.gz VICOUBASVPCZRK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001410212439 946042274 /nfs/dbraw/zinc/04/22/74/946042274.db2.gz VFIWZKXIZQBTHT-YDHLFZDLSA-N 1 3 322.457 0.386 20 0 DCADHO CN(C)CCC[N@H+](C)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253130188 946061492 /nfs/dbraw/zinc/06/14/92/946061492.db2.gz SNPZRQFYYFNYHL-MRXNPFEDSA-N 1 3 310.438 0.845 20 0 DCADHO CN(C)CCC[N@@H+](C)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253130188 946061509 /nfs/dbraw/zinc/06/15/09/946061509.db2.gz SNPZRQFYYFNYHL-MRXNPFEDSA-N 1 3 310.438 0.845 20 0 DCADHO CC(C)NC(=O)CN(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001410248912 946091142 /nfs/dbraw/zinc/09/11/42/946091142.db2.gz MZJDWLMSYFEQEL-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001320998054 946109053 /nfs/dbraw/zinc/10/90/53/946109053.db2.gz MOMDRCCVLVBQDO-KUHFFWNOSA-N 1 3 318.425 0.122 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001410272538 946124972 /nfs/dbraw/zinc/12/49/72/946124972.db2.gz RMQJFUGCUQXYEI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](CCNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001410283893 946137988 /nfs/dbraw/zinc/13/79/88/946137988.db2.gz WDPGOBGHDFERNR-KGLIPLIRSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001410334444 946204477 /nfs/dbraw/zinc/20/44/77/946204477.db2.gz SWWOINHFRUTNOR-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO OC[C@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@H]1O ZINC001254033908 946224444 /nfs/dbraw/zinc/22/44/44/946224444.db2.gz AIMWLMHRXZUOEG-IAGOWNOFSA-N 1 3 320.433 0.299 20 0 DCADHO OC[C@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@H]1O ZINC001254033908 946224458 /nfs/dbraw/zinc/22/44/58/946224458.db2.gz AIMWLMHRXZUOEG-IAGOWNOFSA-N 1 3 320.433 0.299 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001321253235 946240433 /nfs/dbraw/zinc/24/04/33/946240433.db2.gz UAONIUAMXUSINZ-QJTIAFMVSA-N 1 3 320.441 0.368 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001321418321 946324636 /nfs/dbraw/zinc/32/46/36/946324636.db2.gz BNROTCQZILKIHN-ICWYTKJFSA-N 1 3 324.469 0.503 20 0 DCADHO C[C@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001321541283 946370651 /nfs/dbraw/zinc/37/06/51/946370651.db2.gz HKSYHCOPYPFJRU-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001321540916 946372769 /nfs/dbraw/zinc/37/27/69/946372769.db2.gz BGMZKIILIHFFFI-CYBMUJFWSA-N 1 3 307.442 0.541 20 0 DCADHO CS(=O)(=O)N([C@H]1CCC[NH2+]C1)[C@@H]1CC2CCN(CC2)C1 ZINC001254868479 946443527 /nfs/dbraw/zinc/44/35/27/946443527.db2.gz OVWZYTJRUUXIFU-UONOGXRCSA-N 1 3 301.456 0.484 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001410485523 946478777 /nfs/dbraw/zinc/47/87/77/946478777.db2.gz FXNQNXAAHWAOBF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001410485523 946478784 /nfs/dbraw/zinc/47/87/84/946478784.db2.gz FXNQNXAAHWAOBF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)[C@@H](CCC[NH3+])NC1CCN(Cc2ccncc2)CC1 ZINC001256580347 946643274 /nfs/dbraw/zinc/64/32/74/946643274.db2.gz OPPSNIJQUUORTF-MRXNPFEDSA-N 1 3 320.437 0.916 20 0 DCADHO CN(C)S(=O)(=O)CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682253 946652165 /nfs/dbraw/zinc/65/21/65/946652165.db2.gz HYPYNSPXNLCVJA-UHFFFAOYSA-N 1 3 319.471 0.111 20 0 DCADHO CS(=O)(=O)N1CC(NC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256849522 946670917 /nfs/dbraw/zinc/67/09/17/946670917.db2.gz FIPOJRLSRDJZAR-UHFFFAOYSA-N 1 3 310.423 0.284 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001322525037 946708613 /nfs/dbraw/zinc/70/86/13/946708613.db2.gz OQJQDQVWJSDTSE-LSDHHAIUSA-N 1 3 310.442 0.635 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001257927813 946782589 /nfs/dbraw/zinc/78/25/89/946782589.db2.gz UGJCFDWPXGMICB-AGIUHOORSA-N 1 3 320.455 0.602 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC001257927813 946782597 /nfs/dbraw/zinc/78/25/97/946782597.db2.gz UGJCFDWPXGMICB-AGIUHOORSA-N 1 3 320.455 0.602 20 0 DCADHO CC(C)[NH2+][C@H](CO)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001410726584 946847476 /nfs/dbraw/zinc/84/74/76/946847476.db2.gz OUSUGPQBDDZVON-WFASDCNBSA-N 1 3 303.422 0.674 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)CC[N@H+](C)CC)N(C)C ZINC001410771368 946918169 /nfs/dbraw/zinc/91/81/69/946918169.db2.gz VDYHVJDKQYJHJI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)CC[N@@H+](C)CC)N(C)C ZINC001410771368 946918175 /nfs/dbraw/zinc/91/81/75/946918175.db2.gz VDYHVJDKQYJHJI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)CN(C)C(C)C)cc1 ZINC001410796318 946956676 /nfs/dbraw/zinc/95/66/76/946956676.db2.gz BDIOXSIQQZNZML-MRXNPFEDSA-N 1 3 307.438 0.902 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001410840614 947013373 /nfs/dbraw/zinc/01/33/73/947013373.db2.gz DARRBSNPGKXETF-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001410872628 947068242 /nfs/dbraw/zinc/06/82/42/947068242.db2.gz YPXRUKQUPNCKRK-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1cncc1CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001410966610 947174505 /nfs/dbraw/zinc/17/45/05/947174505.db2.gz APERIPQXMWKURB-AWEZNQCLSA-N 1 3 307.442 0.698 20 0 DCADHO COC(=O)[C@H](C)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273414699 947225545 /nfs/dbraw/zinc/22/55/45/947225545.db2.gz HBHRUVMFUDFKGS-CZUORRHYSA-N 1 3 311.426 0.282 20 0 DCADHO COC(=O)[C@H](C)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273414699 947225554 /nfs/dbraw/zinc/22/55/54/947225554.db2.gz HBHRUVMFUDFKGS-CZUORRHYSA-N 1 3 311.426 0.282 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001411245510 947533630 /nfs/dbraw/zinc/53/36/30/947533630.db2.gz MURMKMYMUPSIHF-YMAMQOFZSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C[C@@H]1CCCN1C(=O)CN1CCCC1)C(=O)CC[NH+](C)C ZINC001411275426 947570420 /nfs/dbraw/zinc/57/04/20/947570420.db2.gz ZYCMLDNLRDQWRR-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC ZINC001135975846 947667945 /nfs/dbraw/zinc/66/79/45/947667945.db2.gz DKKJKODYLPHIML-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546245 947867289 /nfs/dbraw/zinc/86/72/89/947867289.db2.gz HPKAHSZJFGWIEG-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCn1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c(=O)[nH]c1=O ZINC001462672021 1013081035 /nfs/dbraw/zinc/08/10/35/1013081035.db2.gz IFPVEWQBKZGZRN-UHFFFAOYSA-N 1 3 324.425 0.294 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCF)C1)N(C)C ZINC001273928765 948686911 /nfs/dbraw/zinc/68/69/11/948686911.db2.gz DSUKWEKBGQZHQB-GDBMZVCRSA-N 1 3 317.449 0.875 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+](CC)[C@@H]1CCCNC1=O)N(C)C ZINC001265134437 949355672 /nfs/dbraw/zinc/35/56/72/949355672.db2.gz URPUBVZRKQGZGG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+](CC)[C@@H]1CCCNC1=O)N(C)C ZINC001265134437 949355694 /nfs/dbraw/zinc/35/56/94/949355694.db2.gz URPUBVZRKQGZGG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CCC[NH2+]CCO ZINC001489068989 949456981 /nfs/dbraw/zinc/45/69/81/949456981.db2.gz DEYDVYLIDQJIDR-UKRRQHHQSA-N 1 3 308.426 0.941 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001489237718 949653620 /nfs/dbraw/zinc/65/36/20/949653620.db2.gz AXSYGKXBDUYDHZ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265456519 949701851 /nfs/dbraw/zinc/70/18/51/949701851.db2.gz XBGYVTHCMAXTMC-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(N(C)C)nc2)CC1 ZINC001364860604 950091326 /nfs/dbraw/zinc/09/13/26/950091326.db2.gz GETPBFBPEZIXCC-HNNXBMFYSA-N 1 3 320.485 0.906 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001265932331 950156351 /nfs/dbraw/zinc/15/63/51/950156351.db2.gz KNSSTXCFKWTRDT-DZGCQCFKSA-N 1 3 322.409 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001266028977 950276224 /nfs/dbraw/zinc/27/62/24/950276224.db2.gz HWLXHPXJBOLRNM-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H](C)C(=O)NC ZINC001266042457 950292027 /nfs/dbraw/zinc/29/20/27/950292027.db2.gz BZKBTKIBTHNKRR-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001490341265 950599976 /nfs/dbraw/zinc/59/99/76/950599976.db2.gz LQZRSADASIXGMI-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCCC23CCC3)CC[N@@H+]1C ZINC001331129853 950938533 /nfs/dbraw/zinc/93/85/33/950938533.db2.gz BQGOUAVVRNCQOW-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCCC23CCC3)CC[N@H+]1C ZINC001331129853 950938547 /nfs/dbraw/zinc/93/85/47/950938547.db2.gz BQGOUAVVRNCQOW-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)C[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001495415003 951092373 /nfs/dbraw/zinc/09/23/73/951092373.db2.gz FHRMMDGZBZWXTI-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001274046797 951363403 /nfs/dbraw/zinc/36/34/03/951363403.db2.gz HZKCMYSFLWNIGN-KDOFPFPSSA-N 1 3 317.433 0.919 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001274046797 951363414 /nfs/dbraw/zinc/36/34/14/951363414.db2.gz HZKCMYSFLWNIGN-KDOFPFPSSA-N 1 3 317.433 0.919 20 0 DCADHO Cc1ncc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)[nH]1 ZINC001274576087 951713826 /nfs/dbraw/zinc/71/38/26/951713826.db2.gz LBISPRNOBYWZEO-MRXNPFEDSA-N 1 3 305.426 0.847 20 0 DCADHO Cn1cncc1N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274758185 951828667 /nfs/dbraw/zinc/82/86/67/951828667.db2.gz CVOAZEZGMBDUIU-INIZCTEOSA-N 1 3 319.409 0.327 20 0 DCADHO C[C@H](C(=O)NCC1=CCN(CCO)CC1)[NH+]1CCCCCC1 ZINC001333416468 952050917 /nfs/dbraw/zinc/05/09/17/952050917.db2.gz IETOREJOCFAPPO-OAHLLOKOSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001411660095 952365539 /nfs/dbraw/zinc/36/55/39/952365539.db2.gz ANVWDOMZEZLDCW-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCN(C(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC001335663107 952578755 /nfs/dbraw/zinc/57/87/55/952578755.db2.gz UPPFBKBJWZFJPH-UHFFFAOYSA-N 1 3 311.474 0.409 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CN2CCC1CC2 ZINC001336057282 952638447 /nfs/dbraw/zinc/63/84/47/952638447.db2.gz XBIHWZZFCNHECS-OAHLLOKOSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CN2CCC1CC2 ZINC001336057282 952638449 /nfs/dbraw/zinc/63/84/49/952638449.db2.gz XBIHWZZFCNHECS-OAHLLOKOSA-N 1 3 313.442 0.182 20 0 DCADHO COc1cccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC001336728770 952758317 /nfs/dbraw/zinc/75/83/17/952758317.db2.gz SOLIEJMCBDRVCL-OAHLLOKOSA-N 1 3 321.421 0.471 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)C2(C[NH3+])CC(O)C2)C[C@H](C)O1 ZINC001340184955 953152448 /nfs/dbraw/zinc/15/24/48/953152448.db2.gz QCMGOQWFGVTZJU-ILGZHXLLSA-N 1 3 313.442 0.092 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)c1ccc2c(c1)OCCNC2 ZINC001342312294 953282769 /nfs/dbraw/zinc/28/27/69/953282769.db2.gz FRLNPKYCTROYPJ-UHFFFAOYSA-N 1 3 307.394 0.477 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)Nc2cccc3c2CNC3)nn1 ZINC001342486172 953292010 /nfs/dbraw/zinc/29/20/10/953292010.db2.gz MLZSHRCBYIBXES-UHFFFAOYSA-N 1 3 300.366 0.873 20 0 DCADHO CCOCC[NH+]1CCC(CO)(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001281817150 953375789 /nfs/dbraw/zinc/37/57/89/953375789.db2.gz PWIYRQXAIVSACK-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001366043628 953617076 /nfs/dbraw/zinc/61/70/76/953617076.db2.gz PMZQJNKPVFJIIJ-KBPBESRZSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001366043628 953617080 /nfs/dbraw/zinc/61/70/80/953617080.db2.gz PMZQJNKPVFJIIJ-KBPBESRZSA-N 1 3 310.442 0.077 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366119490 953709948 /nfs/dbraw/zinc/70/99/48/953709948.db2.gz WWBFVRYRYQPDFC-YDHLFZDLSA-N 1 3 312.458 0.336 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001366134089 953724922 /nfs/dbraw/zinc/72/49/22/953724922.db2.gz UPLIHKNUUFDGDJ-KBUPBQIOSA-N 1 3 313.442 0.105 20 0 DCADHO CC(C)OCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001282926546 953774896 /nfs/dbraw/zinc/77/48/96/953774896.db2.gz XZKXHDIJUKJUGD-ZFWWWQNUSA-N 1 3 324.425 0.583 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366192350 953804024 /nfs/dbraw/zinc/80/40/24/953804024.db2.gz NPDLQCRZGPZAJL-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC001346181974 953816459 /nfs/dbraw/zinc/81/64/59/953816459.db2.gz TVGWKTOKSNOUIP-MSOLQXFVSA-N 1 3 321.465 0.698 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC001346181979 953816534 /nfs/dbraw/zinc/81/65/34/953816534.db2.gz TVGWKTOKSNOUIP-ZWKOTPCHSA-N 1 3 321.465 0.698 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366208217 953823493 /nfs/dbraw/zinc/82/34/93/953823493.db2.gz VBJDOQSBIYPSHF-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001366215523 953839840 /nfs/dbraw/zinc/83/98/40/953839840.db2.gz GSTFHMWMHHIQID-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001366283889 953956224 /nfs/dbraw/zinc/95/62/24/953956224.db2.gz GSIKZXALSVMQRF-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1cncn1C ZINC001366298609 953980847 /nfs/dbraw/zinc/98/08/47/953980847.db2.gz YJSPUZUMOAKTOQ-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1cncn1C ZINC001366298609 953980853 /nfs/dbraw/zinc/98/08/53/953980853.db2.gz YJSPUZUMOAKTOQ-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001366384921 954132711 /nfs/dbraw/zinc/13/27/11/954132711.db2.gz HQMTYXRNJIJBMX-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001366389792 954140231 /nfs/dbraw/zinc/14/02/31/954140231.db2.gz PRTXZJAOOIBPLR-ZDUSSCGKSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](NC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1nncn1C ZINC001366406210 954161918 /nfs/dbraw/zinc/16/19/18/954161918.db2.gz VMMVWYPLZPWFRV-UONOGXRCSA-N 1 3 322.457 0.656 20 0 DCADHO CN(CCCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C ZINC001283581079 954463494 /nfs/dbraw/zinc/46/34/94/954463494.db2.gz ICKWXGXJUGFIOP-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)C(=O)CN2CCCC2)C1 ZINC001283659304 954517076 /nfs/dbraw/zinc/51/70/76/954517076.db2.gz QQSZROKFZDIAEH-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)C(=O)CN2CCCC2)C1 ZINC001283659304 954517086 /nfs/dbraw/zinc/51/70/86/954517086.db2.gz QQSZROKFZDIAEH-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283713496 954551814 /nfs/dbraw/zinc/55/18/14/954551814.db2.gz IMYMEEFEVFWWIQ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283713496 954551821 /nfs/dbraw/zinc/55/18/21/954551821.db2.gz IMYMEEFEVFWWIQ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCc1cnn(C)c1 ZINC001366638690 954562816 /nfs/dbraw/zinc/56/28/16/954562816.db2.gz BDJBLIMERIZUBN-HNNXBMFYSA-N 1 3 307.442 0.352 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCc1cnn(C)c1 ZINC001366638690 954562822 /nfs/dbraw/zinc/56/28/22/954562822.db2.gz BDJBLIMERIZUBN-HNNXBMFYSA-N 1 3 307.442 0.352 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001366780005 954839790 /nfs/dbraw/zinc/83/97/90/954839790.db2.gz VIAAMQBXGJHMBQ-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC001353237795 955989359 /nfs/dbraw/zinc/98/93/59/955989359.db2.gz GCCACIZTIVXSIR-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO CN1CCNC[C@@H]1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC001353548588 956098411 /nfs/dbraw/zinc/09/84/11/956098411.db2.gz LLEVGIOTWMIXGU-MRXNPFEDSA-N 1 3 320.437 0.859 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001294089133 957479883 /nfs/dbraw/zinc/47/98/83/957479883.db2.gz KTRYAYCYLNPEMZ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001294089133 957479886 /nfs/dbraw/zinc/47/98/86/957479886.db2.gz KTRYAYCYLNPEMZ-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001367370078 957729233 /nfs/dbraw/zinc/72/92/33/957729233.db2.gz NNTDHINCCSHWID-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001367370078 957729239 /nfs/dbraw/zinc/72/92/39/957729239.db2.gz NNTDHINCCSHWID-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001416840100 957830844 /nfs/dbraw/zinc/83/08/44/957830844.db2.gz WVNVSBOWZDOYHS-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001416840100 957830860 /nfs/dbraw/zinc/83/08/60/957830860.db2.gz WVNVSBOWZDOYHS-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001367470007 957854998 /nfs/dbraw/zinc/85/49/98/957854998.db2.gz CDLOFGRAKNPIKW-OLZOCXBDSA-N 1 3 312.458 0.336 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1CCCN(CCCO)C1 ZINC001367478023 957866751 /nfs/dbraw/zinc/86/67/51/957866751.db2.gz CYCNYZJFLNHPSQ-BZUAXINKSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@@H]1CCCN(CCCO)C1 ZINC001367478023 957866766 /nfs/dbraw/zinc/86/67/66/957866766.db2.gz CYCNYZJFLNHPSQ-BZUAXINKSA-N 1 3 324.469 0.759 20 0 DCADHO CC[C@@H](C[NH2+]C[C@@H](C)NC(=O)c1cnc2n1CCOC2)OC ZINC001367674425 958329649 /nfs/dbraw/zinc/32/96/49/958329649.db2.gz HAFYARKDVWZXSM-NEPJUHHUSA-N 1 3 310.398 0.546 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367689799 958372629 /nfs/dbraw/zinc/37/26/29/958372629.db2.gz ACHXQZIPHLIJNE-GFCCVEGCSA-N 1 3 307.442 0.665 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001298412335 958588703 /nfs/dbraw/zinc/58/87/03/958588703.db2.gz FIOSGKWEFJTSBH-KXLSMFKISA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001298412335 958588711 /nfs/dbraw/zinc/58/87/11/958588711.db2.gz FIOSGKWEFJTSBH-KXLSMFKISA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)N(C)C(=O)CNC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001376776855 958809220 /nfs/dbraw/zinc/80/92/20/958809220.db2.gz QZDUSYWYKWJSJZ-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC001491633228 958982209 /nfs/dbraw/zinc/98/22/09/958982209.db2.gz WVCGLAOJKFOWPI-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCN(C(C)C)C1=O ZINC001491633228 958982229 /nfs/dbraw/zinc/98/22/29/958982229.db2.gz WVCGLAOJKFOWPI-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001491682284 959044966 /nfs/dbraw/zinc/04/49/66/959044966.db2.gz JXOZOFJUACWRJT-GFCCVEGCSA-N 1 3 308.430 0.583 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)[NH+]1CCCC1 ZINC001376885753 959063441 /nfs/dbraw/zinc/06/34/41/959063441.db2.gz WNWJLWNMPBTMPQ-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@@H]1CCCNC1=O ZINC001491694550 959064806 /nfs/dbraw/zinc/06/48/06/959064806.db2.gz ZPLPROUBADPTIZ-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001376949110 959187680 /nfs/dbraw/zinc/18/76/80/959187680.db2.gz HYAFWYOMBYBXPP-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)c1 ZINC001376957419 959203430 /nfs/dbraw/zinc/20/34/30/959203430.db2.gz ODDNGYMZJOYXKX-CQSZACIVSA-N 1 3 318.421 0.285 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368118672 959275844 /nfs/dbraw/zinc/27/58/44/959275844.db2.gz RKNWAZBXHFPOQR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001368118672 959275857 /nfs/dbraw/zinc/27/58/57/959275857.db2.gz RKNWAZBXHFPOQR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001368126391 959291961 /nfs/dbraw/zinc/29/19/61/959291961.db2.gz UWNSNNCSYDOSNX-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001368126380 959292264 /nfs/dbraw/zinc/29/22/64/959292264.db2.gz UWNSNNCSYDOSNX-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001368180018 959413907 /nfs/dbraw/zinc/41/39/07/959413907.db2.gz QHHVUPIZEFDINE-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001377063777 959413943 /nfs/dbraw/zinc/41/39/43/959413943.db2.gz BRDKNNOOJDQWDW-DOMZBBRYSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cnnn1C ZINC001377066039 959417380 /nfs/dbraw/zinc/41/73/80/959417380.db2.gz IQJOPRWHZBRTAZ-OLZOCXBDSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cnnn1C ZINC001377066035 959418231 /nfs/dbraw/zinc/41/82/31/959418231.db2.gz IQJOPRWHZBRTAZ-CHWSQXEVSA-N 1 3 308.430 0.141 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@](CO)([NH2+]CC2CC2)C1)N(C)C ZINC001377173880 959626957 /nfs/dbraw/zinc/62/69/57/959626957.db2.gz HLAWEPFSOXDXMZ-WBVHZDCISA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001368346911 959708091 /nfs/dbraw/zinc/70/80/91/959708091.db2.gz FRWOVRWLTDLUFZ-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC001362694546 959843875 /nfs/dbraw/zinc/84/38/75/959843875.db2.gz LOTXKJNHACIABI-FFHGMXDLSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC001362694546 959843887 /nfs/dbraw/zinc/84/38/87/959843887.db2.gz LOTXKJNHACIABI-FFHGMXDLSA-N 1 3 322.453 0.138 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001368447849 959878180 /nfs/dbraw/zinc/87/81/80/959878180.db2.gz JEWUPSYAKBGYCW-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(N)=O)CC1 ZINC001368608907 960082985 /nfs/dbraw/zinc/08/29/85/960082985.db2.gz SHMZRPMVQKBILY-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001368612676 960086645 /nfs/dbraw/zinc/08/66/45/960086645.db2.gz YXHGVKPTRCTHPL-IHRRRGAJSA-N 1 3 306.410 0.782 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001368663257 960137441 /nfs/dbraw/zinc/13/74/41/960137441.db2.gz NMVORMXPPHJXQG-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001368670421 960142858 /nfs/dbraw/zinc/14/28/58/960142858.db2.gz HWKAZUMSNMWKOA-UHFFFAOYSA-N 1 3 322.497 0.813 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NCCOCC[NH+](C)C ZINC001310817053 960236111 /nfs/dbraw/zinc/23/61/11/960236111.db2.gz WCDGVWKZIMQYPO-UHFFFAOYSA-N 1 3 312.418 0.144 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCc1ccnn1C ZINC001368835618 960335475 /nfs/dbraw/zinc/33/54/75/960335475.db2.gz FYDUPTZZIISBHL-KBPBESRZSA-N 1 3 321.469 0.930 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001377610380 960354113 /nfs/dbraw/zinc/35/41/13/960354113.db2.gz RLWXWKRBOQKTBH-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1n[nH]c(C)n1 ZINC001378248220 960425338 /nfs/dbraw/zinc/42/53/38/960425338.db2.gz DDNCSOWVFCJONM-KGYLQXTDSA-N 1 3 308.430 0.438 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1n[nH]c(C)n1 ZINC001378248220 960425345 /nfs/dbraw/zinc/42/53/45/960425345.db2.gz DDNCSOWVFCJONM-KGYLQXTDSA-N 1 3 308.430 0.438 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](CC)C(N)=O)C1 ZINC001377766743 960609890 /nfs/dbraw/zinc/60/98/90/960609890.db2.gz XUWYZHBVKYQQOS-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](CC)C(N)=O)C1 ZINC001377766743 960609900 /nfs/dbraw/zinc/60/99/00/960609900.db2.gz XUWYZHBVKYQQOS-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001377806167 960700899 /nfs/dbraw/zinc/70/08/99/960700899.db2.gz LEDVBPOHCRCNIQ-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC(C)(C)CNCc1nccn1C)C(=O)CC[NH+](C)C ZINC001377963828 961077643 /nfs/dbraw/zinc/07/76/43/961077643.db2.gz ZKBJKCVAKFFOOK-UHFFFAOYSA-N 1 3 309.458 0.946 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cncn1C ZINC001378606222 961113866 /nfs/dbraw/zinc/11/38/66/961113866.db2.gz OZJLBMPXOCHDBZ-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@@H]1c1ccc(F)cc1 ZINC001549031023 1013235067 /nfs/dbraw/zinc/23/50/67/1013235067.db2.gz OZGDYYOSLLWMFR-RBSFLKMASA-N 1 3 307.369 0.457 20 0 DCADHO CN(CCO)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001447081257 1013244485 /nfs/dbraw/zinc/24/44/85/1013244485.db2.gz MYFKTXNSMLTHEN-UHFFFAOYSA-N 1 3 317.433 0.823 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH2+]3)C2)nn1 ZINC001549046914 1013245100 /nfs/dbraw/zinc/24/51/00/1013245100.db2.gz CVZXQIQQHHAYPU-TZMCWYRMSA-N 1 3 306.414 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CCCC1)N(C)C ZINC001378706764 961319028 /nfs/dbraw/zinc/31/90/28/961319028.db2.gz BRGGVOWVSKAPAT-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378788980 961480410 /nfs/dbraw/zinc/48/04/10/961480410.db2.gz NROBFZHNJIROFU-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC(C)(C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001378807087 961519343 /nfs/dbraw/zinc/51/93/43/961519343.db2.gz SYOKQMAKEMBSML-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001378840996 961581068 /nfs/dbraw/zinc/58/10/68/961581068.db2.gz GMWHQJQCSCDSGB-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cnnn1C ZINC001378990189 961818203 /nfs/dbraw/zinc/81/82/03/961818203.db2.gz LSQONAPPFFVWAR-OAHLLOKOSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001379054849 961982555 /nfs/dbraw/zinc/98/25/55/961982555.db2.gz IMOOAXWOSOAWPW-CQSZACIVSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001379132270 962173770 /nfs/dbraw/zinc/17/37/70/962173770.db2.gz OQYMEHNVDJGYJI-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001379132270 962173775 /nfs/dbraw/zinc/17/37/75/962173775.db2.gz OQYMEHNVDJGYJI-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001379870830 962186877 /nfs/dbraw/zinc/18/68/77/962186877.db2.gz DYLRWOXZWOYPIF-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001430286813 1013319231 /nfs/dbraw/zinc/31/92/31/1013319231.db2.gz SKKLEAWJLLADDE-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001379215909 962383627 /nfs/dbraw/zinc/38/36/27/962383627.db2.gz FLJOUEMVYRQLEH-LLVKDONJSA-N 1 3 308.430 0.391 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnccc1C)N(C)C ZINC001379257021 962479659 /nfs/dbraw/zinc/47/96/59/962479659.db2.gz IXFGZCUMFGGOEW-LSDHHAIUSA-N 1 3 308.426 0.297 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379278375 962530406 /nfs/dbraw/zinc/53/04/06/962530406.db2.gz BGOVTNMPRXNDNR-HIFRSBDPSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379383356 962788948 /nfs/dbraw/zinc/78/89/48/962788948.db2.gz LKQMTNVLFVLHDJ-TZMCWYRMSA-N 1 3 308.426 0.320 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)CCC[NH+](C)C)C2)C1 ZINC001379439637 962928069 /nfs/dbraw/zinc/92/80/69/962928069.db2.gz LADGVOICTRILQL-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001380268364 962954209 /nfs/dbraw/zinc/95/42/09/962954209.db2.gz SIHYUFATCBEIMC-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001380268364 962954218 /nfs/dbraw/zinc/95/42/18/962954218.db2.gz SIHYUFATCBEIMC-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001379523042 963124186 /nfs/dbraw/zinc/12/41/86/963124186.db2.gz SYUAKVKNTHHHKV-HBNTYKKESA-N 1 3 313.364 0.734 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379579688 963207713 /nfs/dbraw/zinc/20/77/13/963207713.db2.gz CHZCTKOHUJZXDY-ZDUSSCGKSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001379591956 963231112 /nfs/dbraw/zinc/23/11/12/963231112.db2.gz GNDHXAGYSSPVGQ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](CC)C(N)=O ZINC001380838393 963623181 /nfs/dbraw/zinc/62/31/81/963623181.db2.gz DVRQXHUDVXCMCT-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO COC[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001380960032 963721323 /nfs/dbraw/zinc/72/13/23/963721323.db2.gz BYIXCJXHDBNWEX-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001380960032 963721326 /nfs/dbraw/zinc/72/13/26/963721326.db2.gz BYIXCJXHDBNWEX-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(=O)NC)CC1 ZINC001381127607 963832134 /nfs/dbraw/zinc/83/21/34/963832134.db2.gz GXGWSOWCEYXDAC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cccn1 ZINC001381212924 963896334 /nfs/dbraw/zinc/89/63/34/963896334.db2.gz DMJFJWRTACDPBQ-GJZGRUSLSA-N 1 3 307.442 0.709 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1nccn1C ZINC001381214613 963897367 /nfs/dbraw/zinc/89/73/67/963897367.db2.gz SJKRRACBTHZSRK-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NCc1nccn1C ZINC001381214613 963897370 /nfs/dbraw/zinc/89/73/70/963897370.db2.gz SJKRRACBTHZSRK-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001375253532 964175115 /nfs/dbraw/zinc/17/51/15/964175115.db2.gz CAXLQPWOPQHLRC-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001375493227 964471410 /nfs/dbraw/zinc/47/14/10/964471410.db2.gz OEUGRLMSQFESBY-APIJFGDWSA-N 1 3 324.469 0.478 20 0 DCADHO CN(C(=O)CC[NH+]1CCCCC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001369217610 964539621 /nfs/dbraw/zinc/53/96/21/964539621.db2.gz BLSCCINWILNHGV-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCN(CC)C1=O ZINC001373791530 964634430 /nfs/dbraw/zinc/63/44/30/964634430.db2.gz OBURIGJACUMTIB-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCCNC1=O ZINC001369298230 964679687 /nfs/dbraw/zinc/67/96/87/964679687.db2.gz RTWWQSUZYHIPPF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCCNC1=O ZINC001369298230 964679694 /nfs/dbraw/zinc/67/96/94/964679694.db2.gz RTWWQSUZYHIPPF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001373969371 964834169 /nfs/dbraw/zinc/83/41/69/964834169.db2.gz DIOWIMLINYQAPU-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001373969371 964834178 /nfs/dbraw/zinc/83/41/78/964834178.db2.gz DIOWIMLINYQAPU-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001369479044 965049124 /nfs/dbraw/zinc/04/91/24/965049124.db2.gz ZQTADQJDANZCET-DOMZBBRYSA-N 1 3 303.422 0.628 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001369484733 965057098 /nfs/dbraw/zinc/05/70/98/965057098.db2.gz UBFKWRSOWWPISB-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1)OC ZINC001376094332 965189823 /nfs/dbraw/zinc/18/98/23/965189823.db2.gz KXSYJBXLBAKWEQ-GOEBONIOSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1)OC ZINC001376094332 965189827 /nfs/dbraw/zinc/18/98/27/965189827.db2.gz KXSYJBXLBAKWEQ-GOEBONIOSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001374276718 965215503 /nfs/dbraw/zinc/21/55/03/965215503.db2.gz AGHLQRNYSKLWIS-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001374280195 965218200 /nfs/dbraw/zinc/21/82/00/965218200.db2.gz LSNDWZSQJFMMGX-ZDUSSCGKSA-N 1 3 314.474 0.489 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1)[NH+](C)C ZINC001374285558 965227686 /nfs/dbraw/zinc/22/76/86/965227686.db2.gz RUBVUOWGKSLGQU-SWLSCSKDSA-N 1 3 312.458 0.288 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001374314531 965268132 /nfs/dbraw/zinc/26/81/32/965268132.db2.gz SJKLFZYCSXUBNB-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001447819319 1013565232 /nfs/dbraw/zinc/56/52/32/1013565232.db2.gz INNKLCJMOPVLAH-RUXDESIVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cn(C)nn1 ZINC001374379149 965326520 /nfs/dbraw/zinc/32/65/20/965326520.db2.gz CEKZXWACGTXJTO-GXTWGEPZSA-N 1 3 308.430 0.093 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001374390152 965332478 /nfs/dbraw/zinc/33/24/78/965332478.db2.gz WKWVEYVMQHPJNV-JSGCOSHPSA-N 1 3 321.425 0.303 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cncn2C)C1 ZINC001447824110 1013570626 /nfs/dbraw/zinc/57/06/26/1013570626.db2.gz ZYAIYYRXKDOKRT-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)CN1CCCC1 ZINC001376299057 965496096 /nfs/dbraw/zinc/49/60/96/965496096.db2.gz WENKCTLKJKRFQY-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)CN1CCCC1 ZINC001376299057 965496104 /nfs/dbraw/zinc/49/61/04/965496104.db2.gz WENKCTLKJKRFQY-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO Cc1nnc(CN[C@@H](C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001376332043 965528852 /nfs/dbraw/zinc/52/88/52/965528852.db2.gz RBQMXTZSSLODEM-JSGCOSHPSA-N 1 3 322.457 0.782 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376348316 965551960 /nfs/dbraw/zinc/55/19/60/965551960.db2.gz XICULUXMLVDFDL-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001376375421 965587191 /nfs/dbraw/zinc/58/71/91/965587191.db2.gz CNENINOVDUIIPR-HDJSIYSDSA-N 1 3 312.458 0.324 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001376379708 965591460 /nfs/dbraw/zinc/59/14/60/965591460.db2.gz SWIIHTFTINIFTD-BTTYYORXSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001376404897 965617981 /nfs/dbraw/zinc/61/79/81/965617981.db2.gz HZRCJWWWJUCXDE-OBJOEFQTSA-N 1 3 310.442 0.184 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)C1=O ZINC001376491077 965730536 /nfs/dbraw/zinc/73/05/36/965730536.db2.gz QBJWKUGONJEEHO-LXTVHRRPSA-N 1 3 324.469 0.430 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC(C)(C)C)C(=O)CC[NH+](C)C ZINC001374747516 965856874 /nfs/dbraw/zinc/85/68/74/965856874.db2.gz AZJWRACUMAGGEX-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@H](N[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1)C(N)=O ZINC001370186355 965867783 /nfs/dbraw/zinc/86/77/83/965867783.db2.gz SVPKHNVSGJQDAW-GXTWGEPZSA-N 1 3 322.453 0.221 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001376607438 965884320 /nfs/dbraw/zinc/88/43/20/965884320.db2.gz VTFLCXXUEBPIPT-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001376608521 965884617 /nfs/dbraw/zinc/88/46/17/965884617.db2.gz IIVHPVYCVNVSPO-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001447861700 1013606806 /nfs/dbraw/zinc/60/68/06/1013606806.db2.gz DBPASJDKULXUCN-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001376613041 965890828 /nfs/dbraw/zinc/89/08/28/965890828.db2.gz LXRHMOISAFZOPM-ZBFHGGJFSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21)N(C)C ZINC001376652785 965940767 /nfs/dbraw/zinc/94/07/67/965940767.db2.gz WYVGMKFZBDDZKY-LJIZCISZSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21)N(C)C ZINC001376652785 965940777 /nfs/dbraw/zinc/94/07/77/965940777.db2.gz WYVGMKFZBDDZKY-LJIZCISZSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374798578 965941203 /nfs/dbraw/zinc/94/12/03/965941203.db2.gz IXXPCBJNMCDKRI-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001376684660 965985300 /nfs/dbraw/zinc/98/53/00/965985300.db2.gz GXQMWNRTQPHZSH-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001370368126 966051146 /nfs/dbraw/zinc/05/11/46/966051146.db2.gz UZNYEDQSOLIMNG-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001370368126 966051158 /nfs/dbraw/zinc/05/11/58/966051158.db2.gz UZNYEDQSOLIMNG-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001376734760 966088515 /nfs/dbraw/zinc/08/85/15/966088515.db2.gz WHKVWXBLTQKNJP-VHDGCEQUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NCC2CC2)CC[N@H+]1C ZINC001376734760 966088527 /nfs/dbraw/zinc/08/85/27/966088527.db2.gz WHKVWXBLTQKNJP-VHDGCEQUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001370711865 966405143 /nfs/dbraw/zinc/40/51/43/966405143.db2.gz LMGAFPNPXJTRAJ-QLFBSQMISA-N 1 3 320.437 0.462 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001382029994 966877234 /nfs/dbraw/zinc/87/72/34/966877234.db2.gz IGGMIDWZPGZTHI-HUUCEWRRSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001382029994 966877240 /nfs/dbraw/zinc/87/72/40/966877240.db2.gz IGGMIDWZPGZTHI-HUUCEWRRSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](NC[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001382038673 966882863 /nfs/dbraw/zinc/88/28/63/966882863.db2.gz MVFRIQDKBQQQNM-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001382139239 966973169 /nfs/dbraw/zinc/97/31/69/966973169.db2.gz NBERKTMGENFSPM-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC1CCCC1 ZINC001371433949 966988411 /nfs/dbraw/zinc/98/84/11/966988411.db2.gz WZAXRSKDDFIGCI-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1)[NH+](C)C ZINC001382163913 966996027 /nfs/dbraw/zinc/99/60/27/966996027.db2.gz XLFLJKVRGBVRFF-DOMZBBRYSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1nncn1C ZINC001371606713 967164525 /nfs/dbraw/zinc/16/45/25/967164525.db2.gz OLHKRKBMIQCSLM-QWHCGFSZSA-N 1 3 308.430 0.266 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)CN1C(=O)CN1CCCC1 ZINC001382316142 967208691 /nfs/dbraw/zinc/20/86/91/967208691.db2.gz QWKJDBQFRBXHSB-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001382379125 967293489 /nfs/dbraw/zinc/29/34/89/967293489.db2.gz DUGGMXQGDVAMFY-CHWSQXEVSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001371887449 967418935 /nfs/dbraw/zinc/41/89/35/967418935.db2.gz LJWQXGAKHQVNHI-ZIAGYGMSSA-N 1 3 322.457 0.590 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001382535637 967476051 /nfs/dbraw/zinc/47/60/51/967476051.db2.gz NOVCXCMCTKINAA-AWEZNQCLSA-N 1 3 309.458 0.992 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC001382563108 967499905 /nfs/dbraw/zinc/49/99/05/967499905.db2.gz VTKBYFRWIVRUQG-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001382798164 967673668 /nfs/dbraw/zinc/67/36/68/967673668.db2.gz YYNMWIQHFYGJHD-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCCN2C)C1=O ZINC001372919130 968529074 /nfs/dbraw/zinc/52/90/74/968529074.db2.gz DROYYGWVWCKDPH-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001372987459 968600665 /nfs/dbraw/zinc/60/06/65/968600665.db2.gz UMVCPBKBRWLKGJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001372987459 968600673 /nfs/dbraw/zinc/60/06/73/968600673.db2.gz UMVCPBKBRWLKGJ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001373294404 968908123 /nfs/dbraw/zinc/90/81/23/968908123.db2.gz PYAYSSWIFFDLLH-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001373332861 968948207 /nfs/dbraw/zinc/94/82/07/968948207.db2.gz CNYDQNZAYOKJQH-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001373332861 968948215 /nfs/dbraw/zinc/94/82/15/968948215.db2.gz CNYDQNZAYOKJQH-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001373572885 969247973 /nfs/dbraw/zinc/24/79/73/969247973.db2.gz KMSMHFKXFVFQCL-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001373572885 969247981 /nfs/dbraw/zinc/24/79/81/969247981.db2.gz KMSMHFKXFVFQCL-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H](C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001448597319 1013962572 /nfs/dbraw/zinc/96/25/72/1013962572.db2.gz SXFDVAROWQYBNK-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001431389772 1014025710 /nfs/dbraw/zinc/02/57/10/1014025710.db2.gz SCDUYBJZTANGDY-CYBMUJFWSA-N 1 3 314.474 0.632 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001431389772 1014025713 /nfs/dbraw/zinc/02/57/13/1014025713.db2.gz SCDUYBJZTANGDY-CYBMUJFWSA-N 1 3 314.474 0.632 20 0 DCADHO CCC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001448897334 1014088078 /nfs/dbraw/zinc/08/80/78/1014088078.db2.gz CHNWUENYWZTFSW-SWLSCSKDSA-N 1 3 303.422 0.676 20 0 DCADHO O=C(NC[C@H](CO)NCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001448947818 1014105126 /nfs/dbraw/zinc/10/51/26/1014105126.db2.gz OJXMTXZRJNMACY-OAHLLOKOSA-N 1 3 303.406 0.349 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1[N@@H+]([C@H]1CCNC1=O)CC2 ZINC001449009171 1014130761 /nfs/dbraw/zinc/13/07/61/1014130761.db2.gz GJLWSHBJXXZYJV-VBQJREDUSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1[N@H+]([C@H]1CCNC1=O)CC2 ZINC001449009171 1014130767 /nfs/dbraw/zinc/13/07/67/1014130767.db2.gz GJLWSHBJXXZYJV-VBQJREDUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449023503 1014142446 /nfs/dbraw/zinc/14/24/46/1014142446.db2.gz SMBMVRGOLJZJAI-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C[C@H]3CNCCO3)C2)C1 ZINC001549127102 1014144479 /nfs/dbraw/zinc/14/44/79/1014144479.db2.gz PJKFUPUIOOCOMJ-XGUBFFRZSA-N 1 3 311.426 0.110 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001549294456 1014202853 /nfs/dbraw/zinc/20/28/53/1014202853.db2.gz KDIPYTSWXXGXJY-CVEARBPZSA-N 1 3 318.421 0.133 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001528479784 1014308535 /nfs/dbraw/zinc/30/85/35/1014308535.db2.gz HSOVZHZDDDLLAN-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@H]1C ZINC001528479784 1014308547 /nfs/dbraw/zinc/30/85/47/1014308547.db2.gz HSOVZHZDDDLLAN-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO N[C@@H](C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1)C1CCC1 ZINC001549720783 1014421317 /nfs/dbraw/zinc/42/13/17/1014421317.db2.gz HPBYCVYXLYNRBS-UKRRQHHQSA-N 1 3 304.394 0.566 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001522922633 1014475231 /nfs/dbraw/zinc/47/52/31/1014475231.db2.gz PRKCOEGDVMIZIX-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001522922633 1014475236 /nfs/dbraw/zinc/47/52/36/1014475236.db2.gz PRKCOEGDVMIZIX-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC2CC([NH+]3CCCC3)C2)CC1=O ZINC001549936123 1014499796 /nfs/dbraw/zinc/49/97/96/1014499796.db2.gz VJQARSDJHVKWNO-NFOMZHRRSA-N 1 3 322.453 0.140 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@@]34CCC[C@H]3[NH2+]CC4)C2)nn1 ZINC001550095163 1014565477 /nfs/dbraw/zinc/56/54/77/1014565477.db2.gz AYHNMHKSQTYLSW-UMVBOHGHSA-N 1 3 304.398 0.042 20 0 DCADHO CC[C@@H]([NH2+]C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550199327 1014624157 /nfs/dbraw/zinc/62/41/57/1014624157.db2.gz AYNFFVRLPNFTOV-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC001550203626 1014625917 /nfs/dbraw/zinc/62/59/17/1014625917.db2.gz PZVYTUXUUADRSP-UHFFFAOYSA-N 1 3 308.426 0.200 20 0 DCADHO [NH3+][C@H]1COCCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC001550265879 1014641102 /nfs/dbraw/zinc/64/11/02/1014641102.db2.gz QSIPMTWAPCOBHD-HIFRSBDPSA-N 1 3 304.394 0.243 20 0 DCADHO [NH3+][C@@H]1COCCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC001550289967 1014653693 /nfs/dbraw/zinc/65/36/93/1014653693.db2.gz PSLVIAQKNGZKPV-LSDHHAIUSA-N 1 3 304.394 0.070 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001530453232 1014758002 /nfs/dbraw/zinc/75/80/02/1014758002.db2.gz GTKFGWLAYQALSB-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)[C@H]1CN(c2cc(N)ncc2Cl)C[C@@H]1n1ccnn1 ZINC001550633584 1014786062 /nfs/dbraw/zinc/78/60/62/1014786062.db2.gz FXOBBQLDUQRXJU-RYUDHWBXSA-N 1 3 307.789 0.900 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550719335 1014813856 /nfs/dbraw/zinc/81/38/56/1014813856.db2.gz FVWCCJWRTYSKMR-FXUDXRNXSA-N 1 3 301.390 0.509 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550725055 1014817292 /nfs/dbraw/zinc/81/72/92/1014817292.db2.gz YSYXUGMCARXMOO-YDHLFZDLSA-N 1 3 303.362 0.627 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001550745164 1014831563 /nfs/dbraw/zinc/83/15/63/1014831563.db2.gz LDKWDBQSQUBVPK-RBSFLKMASA-N 1 3 322.453 0.512 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC001551099894 1014969832 /nfs/dbraw/zinc/96/98/32/1014969832.db2.gz FRHKGESGPHXWOY-WCVJEAGWSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC001551099894 1014969842 /nfs/dbraw/zinc/96/98/42/1014969842.db2.gz FRHKGESGPHXWOY-WCVJEAGWSA-N 1 3 309.454 0.774 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)CCC1 ZINC001530955027 1015004074 /nfs/dbraw/zinc/00/40/74/1015004074.db2.gz DVFMAFCDVBHQTR-KBPBESRZSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001383113775 984680536 /nfs/dbraw/zinc/68/05/36/984680536.db2.gz IPTKIQQULZWAHX-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001384088185 985350435 /nfs/dbraw/zinc/35/04/35/985350435.db2.gz VJJFSONXTXJTMV-OCCSQVGLSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001384088185 985350448 /nfs/dbraw/zinc/35/04/48/985350448.db2.gz VJJFSONXTXJTMV-OCCSQVGLSA-N 1 3 321.425 0.400 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC001551529522 1015128301 /nfs/dbraw/zinc/12/83/01/1015128301.db2.gz XVYYCRSKXFAEAF-BPUTZDHNSA-N 1 3 318.421 0.631 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001385189447 986146365 /nfs/dbraw/zinc/14/63/65/986146365.db2.gz OLKUYYXIXXYRBO-HIFRSBDPSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001385840924 986624891 /nfs/dbraw/zinc/62/48/91/986624891.db2.gz FIHOZWHDNKFTBW-HOCLYGCPSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001386016496 986757781 /nfs/dbraw/zinc/75/77/81/986757781.db2.gz QLSMXXVWVNFIHS-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001386016496 986757796 /nfs/dbraw/zinc/75/77/96/986757796.db2.gz QLSMXXVWVNFIHS-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001386101597 986831789 /nfs/dbraw/zinc/83/17/89/986831789.db2.gz RJXSPDQPKQTASC-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)N(C)C ZINC001387756151 988121795 /nfs/dbraw/zinc/12/17/95/988121795.db2.gz JFUBHFOQQFRUBU-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1)N(C)C ZINC001387756151 988121798 /nfs/dbraw/zinc/12/17/98/988121798.db2.gz JFUBHFOQQFRUBU-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CCC[NH+]2CCCC2)C1)N(C)C ZINC001387822467 988185478 /nfs/dbraw/zinc/18/54/78/988185478.db2.gz OUWLVNKUGNKQBX-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001388757422 988561517 /nfs/dbraw/zinc/56/15/17/988561517.db2.gz FEGCRICSUKSLSP-ZNMIVQPWSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](CNCC(N)=O)C1 ZINC001388767875 988571052 /nfs/dbraw/zinc/57/10/52/988571052.db2.gz UHZHKEBISULPKM-QPSCCSFWSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](CNCC(N)=O)C1 ZINC001388767875 988571056 /nfs/dbraw/zinc/57/10/56/988571056.db2.gz UHZHKEBISULPKM-QPSCCSFWSA-N 1 3 324.469 0.419 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CCC[NH+]2CCCC2)n1 ZINC001388767637 988571471 /nfs/dbraw/zinc/57/14/71/988571471.db2.gz ITWBKPODVKIIID-UHFFFAOYSA-N 1 3 321.425 0.784 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001527273254 1015440436 /nfs/dbraw/zinc/44/04/36/1015440436.db2.gz XJEUZXUPZDJYMQ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001389739259 989532707 /nfs/dbraw/zinc/53/27/07/989532707.db2.gz AMBSEMUYGFJPOG-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001389783720 989572211 /nfs/dbraw/zinc/57/22/11/989572211.db2.gz PEWBTCCHIUQZLT-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001389783720 989572220 /nfs/dbraw/zinc/57/22/20/989572220.db2.gz PEWBTCCHIUQZLT-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001389846707 989635104 /nfs/dbraw/zinc/63/51/04/989635104.db2.gz UNFNSLJOBPDLHU-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001389846707 989635105 /nfs/dbraw/zinc/63/51/05/989635105.db2.gz UNFNSLJOBPDLHU-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001389975697 989723265 /nfs/dbraw/zinc/72/32/65/989723265.db2.gz RNBYTFBTVNFVKR-LXTVHRRPSA-N 1 3 313.442 0.103 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001390007101 989742472 /nfs/dbraw/zinc/74/24/72/989742472.db2.gz GJICLHJQVPXKAM-GUTXKFCHSA-N 1 3 310.442 0.088 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001390072423 989796323 /nfs/dbraw/zinc/79/63/23/989796323.db2.gz VIGPGSJBEZENLA-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001390072423 989796329 /nfs/dbraw/zinc/79/63/29/989796329.db2.gz VIGPGSJBEZENLA-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001390081685 989802843 /nfs/dbraw/zinc/80/28/43/989802843.db2.gz WCXGSJYIPLQVGA-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001390081685 989802850 /nfs/dbraw/zinc/80/28/50/989802850.db2.gz WCXGSJYIPLQVGA-CQSZACIVSA-N 1 3 324.469 0.338 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001390108802 989827572 /nfs/dbraw/zinc/82/75/72/989827572.db2.gz QYFZWOZLABCGQO-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001390113976 989833119 /nfs/dbraw/zinc/83/31/19/989833119.db2.gz PMEIYDMSLKTLQG-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC001390606097 990240020 /nfs/dbraw/zinc/24/00/20/990240020.db2.gz NNVFHXWVYLSJFV-CYBMUJFWSA-N 1 3 324.425 0.963 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccnn1C ZINC001390663403 990285984 /nfs/dbraw/zinc/28/59/84/990285984.db2.gz KUMLLSYXRVYBFL-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@H](NCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001391216175 990676958 /nfs/dbraw/zinc/67/69/58/990676958.db2.gz YEYJJMVUFMOQMY-LBPRGKRZSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](NCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001391216175 990676959 /nfs/dbraw/zinc/67/69/59/990676959.db2.gz YEYJJMVUFMOQMY-LBPRGKRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001391224080 990682734 /nfs/dbraw/zinc/68/27/34/990682734.db2.gz CSKUJMGOYYFEQZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)CN1CCC[C@@H]1C ZINC001391332655 990754654 /nfs/dbraw/zinc/75/46/54/990754654.db2.gz NQNAPNZPDATFON-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NC1C[NH+](CC2CC(C)C2)C1 ZINC001391458519 990856844 /nfs/dbraw/zinc/85/68/44/990856844.db2.gz HBSMJRJYWMYOHV-SLTAFYQDSA-N 1 3 309.454 0.801 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001391698552 991108894 /nfs/dbraw/zinc/10/88/94/991108894.db2.gz PXDLWEZEXAPIEY-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC(=O)NC2CC2)CCCC1 ZINC001391782060 991177954 /nfs/dbraw/zinc/17/79/54/991177954.db2.gz SYQUXYGBQOECED-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001391807102 991195802 /nfs/dbraw/zinc/19/58/02/991195802.db2.gz VNPYYOWKQXHRBV-QGZVFWFLSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001391953052 991323091 /nfs/dbraw/zinc/32/30/91/991323091.db2.gz WSRZOXWHBIONGQ-HIFRSBDPSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001391953052 991323101 /nfs/dbraw/zinc/32/31/01/991323101.db2.gz WSRZOXWHBIONGQ-HIFRSBDPSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001392111022 991503094 /nfs/dbraw/zinc/50/30/94/991503094.db2.gz YPXVEVLKQGYQIJ-NSHDSACASA-N 1 3 308.430 0.391 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392122332 991519320 /nfs/dbraw/zinc/51/93/20/991519320.db2.gz QMTXIXMTQNYGRU-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CCCCC1 ZINC001392177180 991576298 /nfs/dbraw/zinc/57/62/98/991576298.db2.gz ORVASCMTGBBGDC-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cnn(C)c1 ZINC001392246749 991652041 /nfs/dbraw/zinc/65/20/41/991652041.db2.gz AQFGAHJEPHJTGN-HNNXBMFYSA-N 1 3 309.458 0.991 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001392463169 991958843 /nfs/dbraw/zinc/95/88/43/991958843.db2.gz ZHBRVLFPKMARGL-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392506777 992023211 /nfs/dbraw/zinc/02/32/11/992023211.db2.gz SXKMZZOXLIMZAO-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCN(C2CCC2)C1=O ZINC001392525025 992047303 /nfs/dbraw/zinc/04/73/03/992047303.db2.gz WFBBFWQBIBAZME-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCN(C2CCC2)C1=O ZINC001392525025 992047308 /nfs/dbraw/zinc/04/73/08/992047308.db2.gz WFBBFWQBIBAZME-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)CN2CCOCC2)on1 ZINC001392539452 992065213 /nfs/dbraw/zinc/06/52/13/992065213.db2.gz VNFARXNGLLVHQW-GXTWGEPZSA-N 1 3 324.425 0.546 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392594289 992137083 /nfs/dbraw/zinc/13/70/83/992137083.db2.gz PAWHLNBSBNBBNM-LBPRGKRZSA-N 1 3 322.457 0.543 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392607225 992153670 /nfs/dbraw/zinc/15/36/70/992153670.db2.gz AKJXXYMIQJYBOY-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392607225 992153676 /nfs/dbraw/zinc/15/36/76/992153676.db2.gz AKJXXYMIQJYBOY-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCC[C@@H](NC2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)C1=O ZINC001392929034 992554708 /nfs/dbraw/zinc/55/47/08/992554708.db2.gz HXLXCZNXUYCBPD-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1)C1CCC1 ZINC001393073543 992667124 /nfs/dbraw/zinc/66/71/24/992667124.db2.gz DIYGREDZVIVDEX-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001393211322 992746970 /nfs/dbraw/zinc/74/69/70/992746970.db2.gz BYYFWCOVSVOWBR-CQSZACIVSA-N 1 3 313.442 0.108 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393474401 993019669 /nfs/dbraw/zinc/01/96/69/993019669.db2.gz SMIRIUHVUKRONN-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001393547950 993072856 /nfs/dbraw/zinc/07/28/56/993072856.db2.gz ZEMRESQSSHGDEG-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCC1([NH2+]CC(N)=O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001393665445 993165266 /nfs/dbraw/zinc/16/52/66/993165266.db2.gz QDCNAQLZHQHQHP-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCO)N(C)C ZINC001393870462 993308371 /nfs/dbraw/zinc/30/83/71/993308371.db2.gz OFLWPZBULVYILC-OWCLPIDISA-N 1 3 305.422 0.691 20 0 DCADHO C[C@@H]([NH2+]CCc1cnn(C)c1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001393926647 993348168 /nfs/dbraw/zinc/34/81/68/993348168.db2.gz HHGMUNPMIBMLIE-KGLIPLIRSA-N 1 3 321.469 0.930 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001393969002 993380286 /nfs/dbraw/zinc/38/02/86/993380286.db2.gz AMSLYKADVKXXAG-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001394083147 993464762 /nfs/dbraw/zinc/46/47/62/993464762.db2.gz MNMCAJNVMSXWPF-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001394437574 993705025 /nfs/dbraw/zinc/70/50/25/993705025.db2.gz XXFDBOBROCGFNI-BXUZGUMPSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NCC1CCC1 ZINC001394467231 993736736 /nfs/dbraw/zinc/73/67/36/993736736.db2.gz ODVIRVRUENMKLD-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)CC)N(C)C ZINC001394538606 993810900 /nfs/dbraw/zinc/81/09/00/993810900.db2.gz MYPKWSWYGKQYGW-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001394547419 993816880 /nfs/dbraw/zinc/81/68/80/993816880.db2.gz ZTXHNOZEXQOFGV-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCC2CCCC2)C1 ZINC001394634894 993942794 /nfs/dbraw/zinc/94/27/94/993942794.db2.gz LYQYSVIASHJIML-ZBFHGGJFSA-N 1 3 311.470 0.975 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001394655723 993978408 /nfs/dbraw/zinc/97/84/08/993978408.db2.gz WOQNOWXKYFVEFO-CVEARBPZSA-N 1 3 307.438 0.902 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001394676271 994006188 /nfs/dbraw/zinc/00/61/88/994006188.db2.gz UHPPPAMBRQETID-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)[C@H]1C ZINC001394680612 994016433 /nfs/dbraw/zinc/01/64/33/994016433.db2.gz UFXFGZWBZZUPQQ-ZBFHGGJFSA-N 1 3 321.469 0.882 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](N[C@H](C)C(=O)NC)C(C)(C)C1 ZINC001394711606 994043526 /nfs/dbraw/zinc/04/35/26/994043526.db2.gz GJRIRGAAKZLLIG-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@H](C)C(=O)NC)C(C)(C)C1 ZINC001394711606 994043530 /nfs/dbraw/zinc/04/35/30/994043530.db2.gz GJRIRGAAKZLLIG-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001400242517 994330271 /nfs/dbraw/zinc/33/02/71/994330271.db2.gz ACPXPIZPQCWQOW-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001400242517 994330279 /nfs/dbraw/zinc/33/02/79/994330279.db2.gz ACPXPIZPQCWQOW-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001395128162 994450855 /nfs/dbraw/zinc/45/08/55/994450855.db2.gz GJIIYLHWXPBUEL-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001395128162 994450862 /nfs/dbraw/zinc/45/08/62/994450862.db2.gz GJIIYLHWXPBUEL-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001395425983 994650112 /nfs/dbraw/zinc/65/01/12/994650112.db2.gz AVITXQQEXMWYQW-JOCQHMNTSA-N 1 3 321.425 0.223 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001507010483 1015885804 /nfs/dbraw/zinc/88/58/04/1015885804.db2.gz ICJNVCHZLKTRON-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001400759550 994888621 /nfs/dbraw/zinc/88/86/21/994888621.db2.gz QXSANMXOYVBREF-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001400759550 994888626 /nfs/dbraw/zinc/88/86/26/994888626.db2.gz QXSANMXOYVBREF-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001400811649 994959486 /nfs/dbraw/zinc/95/94/86/994959486.db2.gz QXSANMXOYVBREF-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001400811649 994959491 /nfs/dbraw/zinc/95/94/91/994959491.db2.gz QXSANMXOYVBREF-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H](C)C(=O)NC ZINC001400826577 994982083 /nfs/dbraw/zinc/98/20/83/994982083.db2.gz NSQUNVMIGVYIFI-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)N(C)C ZINC001400900706 995048784 /nfs/dbraw/zinc/04/87/84/995048784.db2.gz HVEXKJHUYNSKIO-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)C1=O ZINC001401089468 995165741 /nfs/dbraw/zinc/16/57/41/995165741.db2.gz XXVNBSMTTDNNQX-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1)N(C)C ZINC001396727739 995565828 /nfs/dbraw/zinc/56/58/28/995565828.db2.gz YICGLEGQNXZGKX-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001396916249 995680897 /nfs/dbraw/zinc/68/08/97/995680897.db2.gz CPBGOJBATVJCPX-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001396916249 995680904 /nfs/dbraw/zinc/68/09/04/995680904.db2.gz CPBGOJBATVJCPX-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001397073069 995784479 /nfs/dbraw/zinc/78/44/79/995784479.db2.gz CNKNMVMDWDPNMD-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001397138610 995818580 /nfs/dbraw/zinc/81/85/80/995818580.db2.gz ZPEZAYMJZGWJKH-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001397138610 995818584 /nfs/dbraw/zinc/81/85/84/995818584.db2.gz ZPEZAYMJZGWJKH-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001397156272 995830205 /nfs/dbraw/zinc/83/02/05/995830205.db2.gz DWSAPOZLQLWFNK-GUTXKFCHSA-N 1 3 324.469 0.609 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001397628383 996104918 /nfs/dbraw/zinc/10/49/18/996104918.db2.gz JSDFIPVUSXPGEY-HZSPNIEDSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)N2CCCC2)C1)C(N)=O ZINC001397667549 996123651 /nfs/dbraw/zinc/12/36/51/996123651.db2.gz QWJBJXVPUHCPSL-IHRRRGAJSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC)N(C)C ZINC001397729626 996146542 /nfs/dbraw/zinc/14/65/42/996146542.db2.gz VYFIYPXRJQQVGN-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO COCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001397776516 996169073 /nfs/dbraw/zinc/16/90/73/996169073.db2.gz XWJZAEPIUYZAQT-LSDHHAIUSA-N 1 3 313.442 0.012 20 0 DCADHO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001397776516 996169076 /nfs/dbraw/zinc/16/90/76/996169076.db2.gz XWJZAEPIUYZAQT-LSDHHAIUSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCc1cncn1C ZINC001507128267 1016010223 /nfs/dbraw/zinc/01/02/23/1016010223.db2.gz UGXWZGPSKYIGJE-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCc1cncn1C ZINC001507128267 1016010235 /nfs/dbraw/zinc/01/02/35/1016010235.db2.gz UGXWZGPSKYIGJE-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)[C@H]1CCCN1C ZINC001398151481 996388663 /nfs/dbraw/zinc/38/86/63/996388663.db2.gz RYLCAEPRBHRNKZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)[C@H]1CCCN1C ZINC001398151481 996388666 /nfs/dbraw/zinc/38/86/66/996388666.db2.gz RYLCAEPRBHRNKZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NCC(=O)NC1CC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001398196613 996407877 /nfs/dbraw/zinc/40/78/77/996407877.db2.gz DTCPQHVSAAFTDT-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C1CC1 ZINC001507147775 1016031647 /nfs/dbraw/zinc/03/16/47/1016031647.db2.gz IHABKEWGKWZVEJ-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001398222430 996417885 /nfs/dbraw/zinc/41/78/85/996417885.db2.gz CLHVKLJWIBCVKV-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001398222430 996417887 /nfs/dbraw/zinc/41/78/87/996417887.db2.gz CLHVKLJWIBCVKV-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)C1)N(C)C ZINC001398573320 996580986 /nfs/dbraw/zinc/58/09/86/996580986.db2.gz ZTHRWQMHAIYKSN-JHJVBQTASA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001398619170 996607137 /nfs/dbraw/zinc/60/71/37/996607137.db2.gz YTUNMEGCZUTRHA-CRWXNKLISA-N 1 3 310.442 0.088 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCC(=O)NC1CC1 ZINC001502738845 1016048819 /nfs/dbraw/zinc/04/88/19/1016048819.db2.gz UGRUYVAHKBVCGP-OCCSQVGLSA-N 1 3 322.453 0.043 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001398674828 996633829 /nfs/dbraw/zinc/63/38/29/996633829.db2.gz CLMHVPPNSQLTKU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001398732225 996662874 /nfs/dbraw/zinc/66/28/74/996662874.db2.gz VCOQBACIZJDKAJ-DZGCQCFKSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001398789114 996688045 /nfs/dbraw/zinc/68/80/45/996688045.db2.gz FXEHQIHGRISQIE-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001398789114 996688049 /nfs/dbraw/zinc/68/80/49/996688049.db2.gz FXEHQIHGRISQIE-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001398961116 996776579 /nfs/dbraw/zinc/77/65/79/996776579.db2.gz XSYRJIOBDKEBIC-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001399037288 996867917 /nfs/dbraw/zinc/86/79/17/996867917.db2.gz LAVLATNTIGMLKT-DZGCQCFKSA-N 1 3 309.458 0.643 20 0 DCADHO CCCC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001404311705 996959266 /nfs/dbraw/zinc/95/92/66/996959266.db2.gz BYQBXOWQFBLXIA-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399187738 997072791 /nfs/dbraw/zinc/07/27/91/997072791.db2.gz LZEDPYCJOJLSJR-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001404530061 997209037 /nfs/dbraw/zinc/20/90/37/997209037.db2.gz KEIMMBVHHYIBET-KGLIPLIRSA-N 1 3 324.425 0.096 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2nc[nH]c2C)C1 ZINC001404530061 997209046 /nfs/dbraw/zinc/20/90/46/997209046.db2.gz KEIMMBVHHYIBET-KGLIPLIRSA-N 1 3 324.425 0.096 20 0 DCADHO C[C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC(N)=O ZINC001399389143 997300286 /nfs/dbraw/zinc/30/02/86/997300286.db2.gz JHUMUFWGAKUZRK-ABAIWWIYSA-N 1 3 316.421 0.169 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001404623227 997301664 /nfs/dbraw/zinc/30/16/64/997301664.db2.gz ZGSNRFKCWAGWPI-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001404653909 997335355 /nfs/dbraw/zinc/33/53/55/997335355.db2.gz KVIRDWOEPWWPRQ-KBPBESRZSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001404653909 997335366 /nfs/dbraw/zinc/33/53/66/997335366.db2.gz KVIRDWOEPWWPRQ-KBPBESRZSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001399420815 997345438 /nfs/dbraw/zinc/34/54/38/997345438.db2.gz SDYDDMNIVNBLLL-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001399500277 997450353 /nfs/dbraw/zinc/45/03/53/997450353.db2.gz LPXCPRDQRKENCW-CQSZACIVSA-N 1 3 308.426 0.274 20 0 DCADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001399500277 997450358 /nfs/dbraw/zinc/45/03/58/997450358.db2.gz LPXCPRDQRKENCW-CQSZACIVSA-N 1 3 308.426 0.274 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001503290588 1016158542 /nfs/dbraw/zinc/15/85/42/1016158542.db2.gz HSBWLICWIVMDMD-MELADBBJSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001405178437 997892967 /nfs/dbraw/zinc/89/29/67/997892967.db2.gz UCJBARRQQFODLI-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC(C)C ZINC001405249430 998007962 /nfs/dbraw/zinc/00/79/62/998007962.db2.gz ITLRDNPPFGHLNG-LSDHHAIUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)NC1CC1 ZINC001405282455 998058498 /nfs/dbraw/zinc/05/84/98/998058498.db2.gz DBILLYFFGUPCMF-OCCSQVGLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(CC)C1CC1 ZINC001405356744 998147400 /nfs/dbraw/zinc/14/74/00/998147400.db2.gz YXFLUUPSUUQQHH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(CC)C1CC1 ZINC001405356744 998147410 /nfs/dbraw/zinc/14/74/10/998147410.db2.gz YXFLUUPSUUQQHH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CC[NH+](C)C ZINC001405431971 998221871 /nfs/dbraw/zinc/22/18/71/998221871.db2.gz AMQXKRXNEKNEMJ-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001405480423 998263570 /nfs/dbraw/zinc/26/35/70/998263570.db2.gz JVYBBKMCRCGSNX-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC001467812356 1016201212 /nfs/dbraw/zinc/20/12/12/1016201212.db2.gz PDXFLZIXEFHZLN-XHSDSOJGSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC001467812356 1016201214 /nfs/dbraw/zinc/20/12/14/1016201214.db2.gz PDXFLZIXEFHZLN-XHSDSOJGSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001405529866 998301586 /nfs/dbraw/zinc/30/15/86/998301586.db2.gz XJPBMDFSOGCPLQ-RBSFLKMASA-N 1 3 324.469 0.622 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001507311426 1016244216 /nfs/dbraw/zinc/24/42/16/1016244216.db2.gz AHSPKNXUAXZXHJ-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1)N(C)C ZINC001401185297 1000254188 /nfs/dbraw/zinc/25/41/88/1000254188.db2.gz XFQXBSSAFBXQQY-CHWSQXEVSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401223621 1000286348 /nfs/dbraw/zinc/28/63/48/1000286348.db2.gz VYSOTOBGQSPUGF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)N(C)C)[NH+](C)C ZINC001401226198 1000289858 /nfs/dbraw/zinc/28/98/58/1000289858.db2.gz FGDFATKSDLYTDU-OCCSQVGLSA-N 1 3 300.447 0.097 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240165 1000299661 /nfs/dbraw/zinc/29/96/61/1000299661.db2.gz GFKCCSXTDZFEIZ-ONGXEEELSA-N 1 3 322.331 0.702 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401248967 1000307805 /nfs/dbraw/zinc/30/78/05/1000307805.db2.gz XSXITHMUSZKYLH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401248967 1000307809 /nfs/dbraw/zinc/30/78/09/1000307809.db2.gz XSXITHMUSZKYLH-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC(=O)NC ZINC001401313447 1000345112 /nfs/dbraw/zinc/34/51/12/1000345112.db2.gz RXZNRKWMUNCKET-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001418672227 1000438611 /nfs/dbraw/zinc/43/86/11/1000438611.db2.gz OEUGRLMSQFESBY-TUVASFSCSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001418829261 1000554942 /nfs/dbraw/zinc/55/49/42/1000554942.db2.gz MGLYCXKFWRXMCA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001418829261 1000554947 /nfs/dbraw/zinc/55/49/47/1000554947.db2.gz MGLYCXKFWRXMCA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401875047 1000808028 /nfs/dbraw/zinc/80/80/28/1000808028.db2.gz SYWRWADLMNVNCU-ZFWWWQNUSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401875047 1000808036 /nfs/dbraw/zinc/80/80/36/1000808036.db2.gz SYWRWADLMNVNCU-ZFWWWQNUSA-N 1 3 305.426 0.356 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN2CCN(CC3CC3)CC2)CC1 ZINC001419140578 1000810871 /nfs/dbraw/zinc/81/08/71/1000810871.db2.gz PZNVKYTVYWFVPU-UHFFFAOYSA-N 1 3 308.470 0.472 20 0 DCADHO CCCC[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001401946628 1000889918 /nfs/dbraw/zinc/88/99/18/1000889918.db2.gz HUXMFEZWZDPYAP-MCIONIFRSA-N 1 3 324.469 0.609 20 0 DCADHO CCCC[C@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001401946628 1000889926 /nfs/dbraw/zinc/88/99/26/1000889926.db2.gz HUXMFEZWZDPYAP-MCIONIFRSA-N 1 3 324.469 0.609 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001419313965 1000968756 /nfs/dbraw/zinc/96/87/56/1000968756.db2.gz YEVPAEYEZIHROH-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001419313965 1000968762 /nfs/dbraw/zinc/96/87/62/1000968762.db2.gz YEVPAEYEZIHROH-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001402075533 1000995802 /nfs/dbraw/zinc/99/58/02/1000995802.db2.gz JVWYXDKPRQRMPY-DZGCQCFKSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001402083287 1001002038 /nfs/dbraw/zinc/00/20/38/1001002038.db2.gz TWUKBCVELYJNES-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001402083287 1001002043 /nfs/dbraw/zinc/00/20/43/1001002043.db2.gz TWUKBCVELYJNES-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001419402553 1001025359 /nfs/dbraw/zinc/02/53/59/1001025359.db2.gz YHPCQCAMHMWHBW-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001419564726 1001143410 /nfs/dbraw/zinc/14/34/10/1001143410.db2.gz RWOZUIKJYCWMMO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001402310169 1001203117 /nfs/dbraw/zinc/20/31/17/1001203117.db2.gz IBQXQVXSMBGFTF-GDBMZVCRSA-N 1 3 315.458 0.041 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CCC[C@@H](C)O)C1 ZINC001402310169 1001203122 /nfs/dbraw/zinc/20/31/22/1001203122.db2.gz IBQXQVXSMBGFTF-GDBMZVCRSA-N 1 3 315.458 0.041 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001419730726 1001260183 /nfs/dbraw/zinc/26/01/83/1001260183.db2.gz DCICLWBZNQQEIP-KBPBESRZSA-N 1 3 308.430 0.245 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001419746804 1001274472 /nfs/dbraw/zinc/27/44/72/1001274472.db2.gz NILJZNFWVPPSLM-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001402442849 1001310537 /nfs/dbraw/zinc/31/05/37/1001310537.db2.gz BFMLMLYCWCXHTL-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(=O)N1CCC1 ZINC001419837923 1001345831 /nfs/dbraw/zinc/34/58/31/1001345831.db2.gz FYBVUBDVDOCJKH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001419840009 1001347735 /nfs/dbraw/zinc/34/77/35/1001347735.db2.gz QAHILLFGPMHWMG-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(C)(C)C ZINC001419852843 1001358164 /nfs/dbraw/zinc/35/81/64/1001358164.db2.gz PZUCOWMLDWBBSA-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001402536687 1001390697 /nfs/dbraw/zinc/39/06/97/1001390697.db2.gz NXVINSBIHCUKGN-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001419941608 1001420953 /nfs/dbraw/zinc/42/09/53/1001420953.db2.gz VIQJAPGMWKEKFR-UKRRQHHQSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001402601906 1001434568 /nfs/dbraw/zinc/43/45/68/1001434568.db2.gz BEADJJQXOAJECI-TXEJJXNPSA-N 1 3 322.457 0.791 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001402640331 1001455814 /nfs/dbraw/zinc/45/58/14/1001455814.db2.gz BKIUCJVGYFIORD-ZNMIVQPWSA-N 1 3 322.453 0.376 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001402751406 1001489244 /nfs/dbraw/zinc/48/92/44/1001489244.db2.gz AYUARARBRKZBLH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001402774500 1001497060 /nfs/dbraw/zinc/49/70/60/1001497060.db2.gz QTJCCIKYTZOJAC-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@H](C)[NH+]1CCC(CO)(NC(=O)CN(C)C(C)C)CC1 ZINC001402893171 1001561156 /nfs/dbraw/zinc/56/11/56/1001561156.db2.gz PAPMWNUBJTZHPI-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001402895779 1001562535 /nfs/dbraw/zinc/56/25/35/1001562535.db2.gz VVBSUAYDXICZPD-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001402895779 1001562536 /nfs/dbraw/zinc/56/25/36/1001562536.db2.gz VVBSUAYDXICZPD-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1CCCC1=O)N(C)C ZINC001402923909 1001581661 /nfs/dbraw/zinc/58/16/61/1001581661.db2.gz YSBOZLGJSYHHMY-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H](C)C(=O)NC1CC1 ZINC001403057531 1001653618 /nfs/dbraw/zinc/65/36/18/1001653618.db2.gz CINKXXFGOIZYDW-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@H]1CCN(C)C1=O ZINC001403130020 1001687267 /nfs/dbraw/zinc/68/72/67/1001687267.db2.gz FTEMREWXEUYENZ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCCNC1=O ZINC001403165985 1001703173 /nfs/dbraw/zinc/70/31/73/1001703173.db2.gz NFESJDHURGBBFP-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCCNC1=O ZINC001403173159 1001706507 /nfs/dbraw/zinc/70/65/07/1001706507.db2.gz YKZYXKYKVXBWDL-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001419943602 1001710725 /nfs/dbraw/zinc/71/07/25/1001710725.db2.gz OHCFKVABILXKIW-ZBFHGGJFSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001419943602 1001710729 /nfs/dbraw/zinc/71/07/29/1001710729.db2.gz OHCFKVABILXKIW-ZBFHGGJFSA-N 1 3 321.469 0.992 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001403191605 1001717893 /nfs/dbraw/zinc/71/78/93/1001717893.db2.gz CNKIFMKSKNTZJC-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001403191605 1001717897 /nfs/dbraw/zinc/71/78/97/1001717897.db2.gz CNKIFMKSKNTZJC-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001419971608 1001735090 /nfs/dbraw/zinc/73/50/90/1001735090.db2.gz HLAWXVYBFRVANB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO Cc1noc(CCCN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001420050636 1001788464 /nfs/dbraw/zinc/78/84/64/1001788464.db2.gz NKAOPPCXOBGADH-AWEZNQCLSA-N 1 3 323.441 0.653 20 0 DCADHO Cc1noc(CCCN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001420050636 1001788469 /nfs/dbraw/zinc/78/84/69/1001788469.db2.gz NKAOPPCXOBGADH-AWEZNQCLSA-N 1 3 323.441 0.653 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001403316783 1001806680 /nfs/dbraw/zinc/80/66/80/1001806680.db2.gz CHKBMMUJMLWZAD-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001403316783 1001806692 /nfs/dbraw/zinc/80/66/92/1001806692.db2.gz CHKBMMUJMLWZAD-CABCVRRESA-N 1 3 315.458 0.257 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnn(C)c1 ZINC001403419295 1001946896 /nfs/dbraw/zinc/94/68/96/1001946896.db2.gz XKZOHJWEHMWMMH-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001403463697 1001993277 /nfs/dbraw/zinc/99/32/77/1001993277.db2.gz KCZCQBTUVZTSAL-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001424797458 1002035602 /nfs/dbraw/zinc/03/56/02/1002035602.db2.gz MDNRPBGFKFBYGN-RYUDHWBXSA-N 1 3 310.442 0.232 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@@H]1CCNC1=O ZINC001420233912 1002087641 /nfs/dbraw/zinc/08/76/41/1002087641.db2.gz KDCQDXVZJMPEIH-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@@H]1CCNC1=O ZINC001420233912 1002087653 /nfs/dbraw/zinc/08/76/53/1002087653.db2.gz KDCQDXVZJMPEIH-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001505806120 1016572784 /nfs/dbraw/zinc/57/27/84/1016572784.db2.gz AHTJUAGKSQQVJO-CQSZACIVSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCc1ccnn1C ZINC001424950305 1002180009 /nfs/dbraw/zinc/18/00/09/1002180009.db2.gz SXXJVKKWRLABPP-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCc1ccnn1C ZINC001424950305 1002180012 /nfs/dbraw/zinc/18/00/12/1002180012.db2.gz SXXJVKKWRLABPP-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)CCn1cncn1 ZINC001425027192 1002264821 /nfs/dbraw/zinc/26/48/21/1002264821.db2.gz NZGQOJDLDWCWBG-AWEZNQCLSA-N 1 3 322.457 0.447 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)N[C@H]1CCc2ccccc21 ZINC001403695333 1002369365 /nfs/dbraw/zinc/36/93/65/1002369365.db2.gz DRYNLKYADMZYHR-HOCLYGCPSA-N 1 3 305.422 0.692 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001403737882 1002444328 /nfs/dbraw/zinc/44/43/28/1002444328.db2.gz QJAFFWWWDGWMPI-KGLIPLIRSA-N 1 3 320.441 0.155 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCc2ncnn21 ZINC001403737882 1002444334 /nfs/dbraw/zinc/44/43/34/1002444334.db2.gz QJAFFWWWDGWMPI-KGLIPLIRSA-N 1 3 320.441 0.155 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001425336862 1002577007 /nfs/dbraw/zinc/57/70/07/1002577007.db2.gz ZLEFMUJASSMBSJ-ZQDZILKHSA-N 1 3 309.454 0.800 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001425336862 1002577013 /nfs/dbraw/zinc/57/70/13/1002577013.db2.gz ZLEFMUJASSMBSJ-ZQDZILKHSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001425419377 1002658514 /nfs/dbraw/zinc/65/85/14/1002658514.db2.gz NOTSVPKUIZXKKW-IHRRRGAJSA-N 1 3 324.469 0.609 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001425421863 1002661911 /nfs/dbraw/zinc/66/19/11/1002661911.db2.gz YFTSJOYEYSXZJV-CTYIDZIISA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](C(=O)N(C)C)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001425432156 1002669920 /nfs/dbraw/zinc/66/99/20/1002669920.db2.gz GTEPDGSNYXFCOA-KBPBESRZSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H](C(=O)N(C)C)N(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001425432156 1002669925 /nfs/dbraw/zinc/66/99/25/1002669925.db2.gz GTEPDGSNYXFCOA-KBPBESRZSA-N 1 3 324.469 0.338 20 0 DCADHO O=C(NCCN(CCO)C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001420694861 1002809803 /nfs/dbraw/zinc/80/98/03/1002809803.db2.gz HYCFYRUJBRDKQI-UHFFFAOYSA-N 1 3 309.454 0.681 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420741570 1002904025 /nfs/dbraw/zinc/90/40/25/1002904025.db2.gz BKQJQACERWCTFR-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001425655606 1002934178 /nfs/dbraw/zinc/93/41/78/1002934178.db2.gz LEUXMWBILTXBTJ-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001425665327 1002941750 /nfs/dbraw/zinc/94/17/50/1002941750.db2.gz JQFGDKHUETZVOL-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]C[C@H]2CCCCO2)CCC1 ZINC001425749898 1003052307 /nfs/dbraw/zinc/05/23/07/1003052307.db2.gz FSHRQTLOLRJZQN-ZIAGYGMSSA-N 1 3 313.442 0.107 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](CO)NCc2ccccc2)CC1 ZINC001425809436 1003134810 /nfs/dbraw/zinc/13/48/10/1003134810.db2.gz QWWSIGVIHGYTNG-INIZCTEOSA-N 1 3 305.422 0.595 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001420964049 1003180468 /nfs/dbraw/zinc/18/04/68/1003180468.db2.gz ABGXMWHCSUJBJB-CYBMUJFWSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H](NCc1nncn1C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001405985483 1003242449 /nfs/dbraw/zinc/24/24/49/1003242449.db2.gz LALXJRPOHSACOV-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421130320 1003361794 /nfs/dbraw/zinc/36/17/94/1003361794.db2.gz POLHUMQYPUKTSL-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421130320 1003361801 /nfs/dbraw/zinc/36/18/01/1003361801.db2.gz POLHUMQYPUKTSL-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CC2CCCC2)C1 ZINC001426044865 1003371107 /nfs/dbraw/zinc/37/11/07/1003371107.db2.gz NADCYWOFRROABT-HOCLYGCPSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](O)CCCN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001421151991 1003383913 /nfs/dbraw/zinc/38/39/13/1003383913.db2.gz MCKHZYUWNVRXRH-DZKIICNBSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](O)CCCN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001421151991 1003383919 /nfs/dbraw/zinc/38/39/19/1003383919.db2.gz MCKHZYUWNVRXRH-DZKIICNBSA-N 1 3 311.470 0.926 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001421248862 1003479820 /nfs/dbraw/zinc/47/98/20/1003479820.db2.gz CBCHFIDJAKYEFK-WMLDXEAASA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001421260574 1003487520 /nfs/dbraw/zinc/48/75/20/1003487520.db2.gz ZOIDCNYJFOVUFC-SWLSCSKDSA-N 1 3 307.398 0.044 20 0 DCADHO Cn1ccc(CNC[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)n1 ZINC001406227100 1003499145 /nfs/dbraw/zinc/49/91/45/1003499145.db2.gz YRIRVBXFPSYADG-HIFRSBDPSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1ncsc1CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406293079 1003576053 /nfs/dbraw/zinc/57/60/53/1003576053.db2.gz YTZXTWJADWFAAR-GFCCVEGCSA-N 1 3 324.450 0.114 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC2CCC2)C1)N(C)C ZINC001421378461 1003606654 /nfs/dbraw/zinc/60/66/54/1003606654.db2.gz PSXZCUZZWLZRKE-WBVHZDCISA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC2CCC2)C1)N(C)C ZINC001421378461 1003606657 /nfs/dbraw/zinc/60/66/57/1003606657.db2.gz PSXZCUZZWLZRKE-WBVHZDCISA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406523700 1003787560 /nfs/dbraw/zinc/78/75/60/1003787560.db2.gz SXKMZZOXLIMZAO-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001428460784 1003948809 /nfs/dbraw/zinc/94/88/09/1003948809.db2.gz LIRGNKALNNHFNN-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)[C@@H]1CCCN1C ZINC001426731442 1003991723 /nfs/dbraw/zinc/99/17/23/1003991723.db2.gz GSYCNAHUJNHFKT-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCCCC1 ZINC001406794692 1004103077 /nfs/dbraw/zinc/10/30/77/1004103077.db2.gz VOBGOQPELFJDNJ-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001406797149 1004105399 /nfs/dbraw/zinc/10/53/99/1004105399.db2.gz QBPJTLDMOADCJP-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@H]2CCCNC2=O)CC1)[NH+](C)C ZINC001406934125 1004236235 /nfs/dbraw/zinc/23/62/35/1004236235.db2.gz FNJGQHNLRKCKKX-STQMWFEESA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001407052678 1004337604 /nfs/dbraw/zinc/33/76/04/1004337604.db2.gz NTUNUVGKEWSPQD-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001407052678 1004337615 /nfs/dbraw/zinc/33/76/15/1004337615.db2.gz NTUNUVGKEWSPQD-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001407101660 1004383951 /nfs/dbraw/zinc/38/39/51/1004383951.db2.gz JNJWQUBRSOBSQK-KKUMJFAQSA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001407149761 1004422643 /nfs/dbraw/zinc/42/26/43/1004422643.db2.gz RHAQCRIHUJMTBK-LSDHHAIUSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001407152914 1004425019 /nfs/dbraw/zinc/42/50/19/1004425019.db2.gz PQXPNMGOELUWGQ-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC001429409303 1004581100 /nfs/dbraw/zinc/58/11/00/1004581100.db2.gz TXIWWHSBJXIKOA-RDBSUJKOSA-N 1 3 319.409 0.152 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001429547310 1004663355 /nfs/dbraw/zinc/66/33/55/1004663355.db2.gz PEMSNOSESXMFFK-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001429547310 1004663358 /nfs/dbraw/zinc/66/33/58/1004663358.db2.gz PEMSNOSESXMFFK-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNC(=O)CN(C)C1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001429613795 1004696009 /nfs/dbraw/zinc/69/60/09/1004696009.db2.gz GJVAPAJHXQEEGO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)CN(C)C1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429613795 1004696013 /nfs/dbraw/zinc/69/60/13/1004696013.db2.gz GJVAPAJHXQEEGO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001407649537 1004785820 /nfs/dbraw/zinc/78/58/20/1004785820.db2.gz GFJMRKZEJHBPHS-RRFJBIMHSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001407649537 1004785822 /nfs/dbraw/zinc/78/58/22/1004785822.db2.gz GFJMRKZEJHBPHS-RRFJBIMHSA-N 1 3 322.453 0.138 20 0 DCADHO C[NH+](C)CCC(=O)NC1(CNCc2ccccn2)CCOCC1 ZINC001408055387 1005006401 /nfs/dbraw/zinc/00/64/01/1005006401.db2.gz XRCNTYQRULKQDF-UHFFFAOYSA-N 1 3 320.437 0.788 20 0 DCADHO CCCNC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001408096036 1005036231 /nfs/dbraw/zinc/03/62/31/1005036231.db2.gz XKZXVXOEVBEOHU-UHFFFAOYSA-N 1 3 321.425 0.449 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC001408263367 1005132375 /nfs/dbraw/zinc/13/23/75/1005132375.db2.gz VXIHZFDEKJZBRB-ZFWWWQNUSA-N 1 3 314.474 0.534 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001415012024 1005441561 /nfs/dbraw/zinc/44/15/61/1005441561.db2.gz ZDZFWBMLCQKFBK-HZSPNIEDSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001415012024 1005441563 /nfs/dbraw/zinc/44/15/63/1005441563.db2.gz ZDZFWBMLCQKFBK-HZSPNIEDSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001416030691 1005652308 /nfs/dbraw/zinc/65/23/08/1005652308.db2.gz JVLBSODIAHIVNZ-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001416030691 1005652310 /nfs/dbraw/zinc/65/23/10/1005652310.db2.gz JVLBSODIAHIVNZ-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001417072986 1005779216 /nfs/dbraw/zinc/77/92/16/1005779216.db2.gz IKXVCJPPNCHETN-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001417155133 1005794722 /nfs/dbraw/zinc/79/47/22/1005794722.db2.gz QXJLKAYZMSDVRZ-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001417155133 1005794725 /nfs/dbraw/zinc/79/47/25/1005794725.db2.gz QXJLKAYZMSDVRZ-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001417253783 1005811393 /nfs/dbraw/zinc/81/13/93/1005811393.db2.gz YMJXHWCIOWMDMH-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001417253783 1005811394 /nfs/dbraw/zinc/81/13/94/1005811394.db2.gz YMJXHWCIOWMDMH-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001417772601 1005888054 /nfs/dbraw/zinc/88/80/54/1005888054.db2.gz BMLKSFDOEWTQFZ-BETUJISGSA-N 1 3 317.397 0.037 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001417775497 1005888224 /nfs/dbraw/zinc/88/82/24/1005888224.db2.gz SOMGTGUDKKZJCO-IJEWVQPXSA-N 1 3 321.469 0.991 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)NC2CC2)C1 ZINC001417813777 1005895515 /nfs/dbraw/zinc/89/55/15/1005895515.db2.gz MBPZRKIOHNHVTQ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)CC(C)(C)C ZINC001418064009 1005996057 /nfs/dbraw/zinc/99/60/57/1005996057.db2.gz KZTOCFYFKVBBIT-JOCQHMNTSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001438711405 1006055955 /nfs/dbraw/zinc/05/59/55/1006055955.db2.gz HISHRPUFUGHRQK-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001506105793 1017022790 /nfs/dbraw/zinc/02/27/90/1017022790.db2.gz RLBPQBNSIAKPKA-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001506105793 1017022800 /nfs/dbraw/zinc/02/28/00/1017022800.db2.gz RLBPQBNSIAKPKA-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001418225596 1006201078 /nfs/dbraw/zinc/20/10/78/1006201078.db2.gz IYBJSMNSZVXTHP-ZWNOBZJWSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)n1 ZINC001418239376 1006225534 /nfs/dbraw/zinc/22/55/34/1006225534.db2.gz MBACYNPQUGUDHT-DOMZBBRYSA-N 1 3 324.473 0.575 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N[C@H]1CCNC1=O ZINC001418262219 1006267582 /nfs/dbraw/zinc/26/75/82/1006267582.db2.gz JWBXDTRXZRKFHQ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+]1CCC(CC(=O)NC[C@@H](O)CNCc2ccccn2)CC1 ZINC001439028923 1006384293 /nfs/dbraw/zinc/38/42/93/1006384293.db2.gz CXVZACIPZRZNJL-INIZCTEOSA-N 1 3 320.437 0.380 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC(C)(C)C ZINC001418334100 1006394085 /nfs/dbraw/zinc/39/40/85/1006394085.db2.gz XSALMSMWQFFMMC-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439072769 1006435957 /nfs/dbraw/zinc/43/59/57/1006435957.db2.gz PFAZHLPVVNSHKJ-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439072769 1006435963 /nfs/dbraw/zinc/43/59/63/1006435963.db2.gz PFAZHLPVVNSHKJ-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)CCC1 ZINC001436894510 1006440354 /nfs/dbraw/zinc/44/03/54/1006440354.db2.gz IOZPEWBVOBWMEN-JOCQHMNTSA-N 1 3 322.453 0.328 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439081290 1006448752 /nfs/dbraw/zinc/44/87/52/1006448752.db2.gz RCBZPDXUMXEBEL-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439081290 1006448757 /nfs/dbraw/zinc/44/87/57/1006448757.db2.gz RCBZPDXUMXEBEL-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001436965029 1006488991 /nfs/dbraw/zinc/48/89/91/1006488991.db2.gz HXXXHOXCTZXEMC-SYQHCUMBSA-N 1 3 310.442 0.042 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001437006205 1006523167 /nfs/dbraw/zinc/52/31/67/1006523167.db2.gz DNIKOCQVDADNDD-ZDUSSCGKSA-N 1 3 308.430 0.393 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1)C(=O)N(C)C ZINC001437058119 1006558130 /nfs/dbraw/zinc/55/81/30/1006558130.db2.gz PALLDBSRRHJING-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]21 ZINC001437075722 1006572288 /nfs/dbraw/zinc/57/22/88/1006572288.db2.gz KFCZADSLOHEXED-SBJFKYEJSA-N 1 3 315.433 0.748 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]21 ZINC001437075722 1006572296 /nfs/dbraw/zinc/57/22/96/1006572296.db2.gz KFCZADSLOHEXED-SBJFKYEJSA-N 1 3 315.433 0.748 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N[C@@H]2CCN(C)C2=O)CC1 ZINC001437236634 1006745034 /nfs/dbraw/zinc/74/50/34/1006745034.db2.gz RYPURVAPKJGEDW-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CN(C)CCNC(=O)C1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439365136 1006759375 /nfs/dbraw/zinc/75/93/75/1006759375.db2.gz JWNUINRUGNQNLS-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)CCNC(=O)C1CC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439365136 1006759382 /nfs/dbraw/zinc/75/93/82/1006759382.db2.gz JWNUINRUGNQNLS-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)NC1CC1 ZINC001437260986 1006781594 /nfs/dbraw/zinc/78/15/94/1006781594.db2.gz JSHQRGIUKNVSGF-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001439466679 1006893565 /nfs/dbraw/zinc/89/35/65/1006893565.db2.gz ADEBWEZCLHLXNR-HNNXBMFYSA-N 1 3 319.453 0.746 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001437830656 1007442167 /nfs/dbraw/zinc/44/21/67/1007442167.db2.gz BEWGSYBKFILSDB-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001437830656 1007442170 /nfs/dbraw/zinc/44/21/70/1007442170.db2.gz BEWGSYBKFILSDB-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](C(=O)N(C)CCN[C@@H]1CCCNC1=O)[NH+]1CCCCCC1 ZINC001437846305 1007461237 /nfs/dbraw/zinc/46/12/37/1007461237.db2.gz RXMCMQHTOJDMMB-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001440139262 1007517531 /nfs/dbraw/zinc/51/75/31/1007517531.db2.gz TVHMAEOABCQHMJ-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001440194718 1007569531 /nfs/dbraw/zinc/56/95/31/1007569531.db2.gz JQSFRUUTMUAFHL-KKUMJFAQSA-N 1 3 315.433 0.724 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001440194718 1007569536 /nfs/dbraw/zinc/56/95/36/1007569536.db2.gz JQSFRUUTMUAFHL-KKUMJFAQSA-N 1 3 315.433 0.724 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001440716677 1007967304 /nfs/dbraw/zinc/96/73/04/1007967304.db2.gz UKIDRIPDDAPKRW-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001440716677 1007967311 /nfs/dbraw/zinc/96/73/11/1007967311.db2.gz UKIDRIPDDAPKRW-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1)C(N)=O ZINC001438594172 1008019490 /nfs/dbraw/zinc/01/94/90/1008019490.db2.gz FZTWBDPGOQSJGF-GFCCVEGCSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H]([NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1)C(N)=O ZINC001438609420 1008023671 /nfs/dbraw/zinc/02/36/71/1008023671.db2.gz BFMBNLKBCSYJGX-CYBMUJFWSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001440804095 1008035838 /nfs/dbraw/zinc/03/58/38/1008035838.db2.gz XXAPIIITBGFEPI-STQMWFEESA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCNC(=O)C1CC1 ZINC001440998654 1008167837 /nfs/dbraw/zinc/16/78/37/1008167837.db2.gz JHUGIEGLQJBRCG-CYBMUJFWSA-N 1 3 322.453 0.045 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001441297943 1008312112 /nfs/dbraw/zinc/31/21/12/1008312112.db2.gz KYIRVLCVOSPSJK-LSDHHAIUSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001441352722 1008330742 /nfs/dbraw/zinc/33/07/42/1008330742.db2.gz FPGBGBRBVOQQQW-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001441695241 1008463466 /nfs/dbraw/zinc/46/34/66/1008463466.db2.gz JREBWJSOFGPBAW-DJIMGWMZSA-N 1 3 319.449 0.902 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001441695241 1008463469 /nfs/dbraw/zinc/46/34/69/1008463469.db2.gz JREBWJSOFGPBAW-DJIMGWMZSA-N 1 3 319.449 0.902 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001441812393 1008513974 /nfs/dbraw/zinc/51/39/74/1008513974.db2.gz CXMXKTLQVRQBCP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001453486746 1008524335 /nfs/dbraw/zinc/52/43/35/1008524335.db2.gz DOWQEUUBVXMYMF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001453486746 1008524342 /nfs/dbraw/zinc/52/43/42/1008524342.db2.gz DOWQEUUBVXMYMF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001441875922 1008611323 /nfs/dbraw/zinc/61/13/23/1008611323.db2.gz QELWDQGCUVHVHD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001441875922 1008611326 /nfs/dbraw/zinc/61/13/26/1008611326.db2.gz QELWDQGCUVHVHD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001441927139 1008667574 /nfs/dbraw/zinc/66/75/74/1008667574.db2.gz NUGKIKLCZKXCMH-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001441927139 1008667581 /nfs/dbraw/zinc/66/75/81/1008667581.db2.gz NUGKIKLCZKXCMH-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441935751 1008676156 /nfs/dbraw/zinc/67/61/56/1008676156.db2.gz OZGUJQAZCRSGNH-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441935751 1008676165 /nfs/dbraw/zinc/67/61/65/1008676165.db2.gz OZGUJQAZCRSGNH-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO Cn1nncc1CNC[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001421564102 1008733450 /nfs/dbraw/zinc/73/34/50/1008733450.db2.gz UJPWPIDLSKMLJK-HNNXBMFYSA-N 1 3 308.430 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001433415833 1008760420 /nfs/dbraw/zinc/76/04/20/1008760420.db2.gz VXNGSEMAVULART-RDBSUJKOSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001433415833 1008760432 /nfs/dbraw/zinc/76/04/32/1008760432.db2.gz VXNGSEMAVULART-RDBSUJKOSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001433461793 1008810839 /nfs/dbraw/zinc/81/08/39/1008810839.db2.gz VUKZJLXVELHULH-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001421687555 1008933708 /nfs/dbraw/zinc/93/37/08/1008933708.db2.gz NFCHPTPCELWGAD-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001421703089 1008960169 /nfs/dbraw/zinc/96/01/69/1008960169.db2.gz UKIDRIPDDAPKRW-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001421703089 1008960182 /nfs/dbraw/zinc/96/01/82/1008960182.db2.gz UKIDRIPDDAPKRW-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001442108599 1008977301 /nfs/dbraw/zinc/97/73/01/1008977301.db2.gz DAGUFOUEGHGZQM-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001442108599 1008977306 /nfs/dbraw/zinc/97/73/06/1008977306.db2.gz DAGUFOUEGHGZQM-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)CNCc1cnns1)[NH+](C)C ZINC001421761459 1009048511 /nfs/dbraw/zinc/04/85/11/1009048511.db2.gz WDCCFFKVQSHDHH-AAEUAGOBSA-N 1 3 313.471 0.966 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001421847867 1009160830 /nfs/dbraw/zinc/16/08/30/1009160830.db2.gz XBAIYGRIZMPMSR-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001421894005 1009223277 /nfs/dbraw/zinc/22/32/77/1009223277.db2.gz HPUWABCEMWOGGK-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001421894005 1009223287 /nfs/dbraw/zinc/22/32/87/1009223287.db2.gz HPUWABCEMWOGGK-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001421925894 1009271218 /nfs/dbraw/zinc/27/12/18/1009271218.db2.gz CSAZJHKDKWSAMC-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001421929482 1009276250 /nfs/dbraw/zinc/27/62/50/1009276250.db2.gz AFOVOOLQUIUWLO-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001421949380 1009300181 /nfs/dbraw/zinc/30/01/81/1009300181.db2.gz ZJKMOJZUWVNFHQ-CHWSQXEVSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1)C(N)=O ZINC001422025850 1009411459 /nfs/dbraw/zinc/41/14/59/1009411459.db2.gz GXJCXIQJVNSQSB-TZMCWYRMSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cncn1C ZINC001422136853 1009537323 /nfs/dbraw/zinc/53/73/23/1009537323.db2.gz QEZCJCYPGJFTEL-HNNXBMFYSA-N 1 3 309.458 0.991 20 0 DCADHO CN(CC[N@H+](C)CCc1ccnn1C)C(=O)CN(C)C1CCC1 ZINC001422169377 1009602005 /nfs/dbraw/zinc/60/20/05/1009602005.db2.gz RXGZMMRSSABJGM-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CC[N@@H+](C)CCc1ccnn1C)C(=O)CN(C)C1CCC1 ZINC001422169377 1009602011 /nfs/dbraw/zinc/60/20/11/1009602011.db2.gz RXGZMMRSSABJGM-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO CC(C)NC(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001422242268 1009698155 /nfs/dbraw/zinc/69/81/55/1009698155.db2.gz DQZVVAFUYYZGCD-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nc(C)n(CCN2CCC[C@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001442795711 1009749885 /nfs/dbraw/zinc/74/98/85/1009749885.db2.gz BZOHCEDAACPELW-HNNXBMFYSA-N 1 3 322.457 0.427 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001434410135 1009917653 /nfs/dbraw/zinc/91/76/53/1009917653.db2.gz DQQBAXRBWGRUKC-OAHLLOKOSA-N 1 3 309.454 0.920 20 0 DCADHO COCC[NH+]1CCC(NCc2ccc(OCC(N)=O)cc2)CC1 ZINC001434500435 1010042748 /nfs/dbraw/zinc/04/27/48/1010042748.db2.gz PLYXPFGVKHZBQL-UHFFFAOYSA-N 1 3 321.421 0.751 20 0 DCADHO CN(CC(=O)N(C)C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001443369280 1010371598 /nfs/dbraw/zinc/37/15/98/1010371598.db2.gz IPJPGKHPVQZGFE-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO CN(CC(=O)N(C)C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001443369280 1010371607 /nfs/dbraw/zinc/37/16/07/1010371607.db2.gz IPJPGKHPVQZGFE-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001422737861 1010548869 /nfs/dbraw/zinc/54/88/69/1010548869.db2.gz WLTJZVPUAMTNEB-UONOGXRCSA-N 1 3 309.454 0.944 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422737849 1010550463 /nfs/dbraw/zinc/55/04/63/1010550463.db2.gz XIZVOFYLWOIWOZ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)N1CCCCC1 ZINC001422811376 1010634354 /nfs/dbraw/zinc/63/43/54/1010634354.db2.gz PYYAYWDOYKMBNM-QKDCVEJESA-N 1 3 309.454 0.537 20 0 DCADHO CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)N1CCCCC1 ZINC001422811376 1010634364 /nfs/dbraw/zinc/63/43/64/1010634364.db2.gz PYYAYWDOYKMBNM-QKDCVEJESA-N 1 3 309.454 0.537 20 0 DCADHO C[C@@H](NCCF)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001422850301 1010671879 /nfs/dbraw/zinc/67/18/79/1010671879.db2.gz GGRNXPNSBWVYKB-UKRRQHHQSA-N 1 3 315.433 0.893 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001422909346 1010727948 /nfs/dbraw/zinc/72/79/48/1010727948.db2.gz QWIWDGGAUCCGCK-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422925272 1010745437 /nfs/dbraw/zinc/74/54/37/1010745437.db2.gz SMGGCNDTODMMDR-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422925272 1010745441 /nfs/dbraw/zinc/74/54/41/1010745441.db2.gz SMGGCNDTODMMDR-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](NC[C@@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001422985047 1010788528 /nfs/dbraw/zinc/78/85/28/1010788528.db2.gz PEGPNRWFQVFIOB-WFASDCNBSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H](CNCC(N)=O)C1CC1 ZINC001422989409 1010790848 /nfs/dbraw/zinc/79/08/48/1010790848.db2.gz OYMLASJVUYGVBY-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H](CNCC(N)=O)C1CC1 ZINC001422989409 1010790853 /nfs/dbraw/zinc/79/08/53/1010790853.db2.gz OYMLASJVUYGVBY-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001444002629 1010796316 /nfs/dbraw/zinc/79/63/16/1010796316.db2.gz VFEFJJJLGRAFTJ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cncn1C ZINC001423073257 1010864584 /nfs/dbraw/zinc/86/45/84/1010864584.db2.gz LIRODANIYKRXSZ-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NCC(C)(C)C ZINC001423108198 1010894350 /nfs/dbraw/zinc/89/43/50/1010894350.db2.gz SFXMCOLLXSTYFY-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444312359 1010958476 /nfs/dbraw/zinc/95/84/76/1010958476.db2.gz VXYXTHCUXNMFFS-ZFWWWQNUSA-N 1 3 319.453 0.604 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001444312969 1010958601 /nfs/dbraw/zinc/95/86/01/1010958601.db2.gz YFRMIZNGPKRIQO-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001423321246 1011074918 /nfs/dbraw/zinc/07/49/18/1011074918.db2.gz LPNMTYCSYSQNFJ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCn1nnc(C)c1CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423329063 1011080164 /nfs/dbraw/zinc/08/01/64/1011080164.db2.gz PUNIOWHKWIXXLE-ZIAGYGMSSA-N 1 3 322.457 0.637 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cncn2C)C[C@H]1C ZINC001423365319 1011103383 /nfs/dbraw/zinc/10/33/83/1011103383.db2.gz XNECFRFSILXXEP-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cncn2C)C[C@H]1C ZINC001423365319 1011103388 /nfs/dbraw/zinc/10/33/88/1011103388.db2.gz XNECFRFSILXXEP-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H](C)NC(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001444720735 1011146372 /nfs/dbraw/zinc/14/63/72/1011146372.db2.gz YEDZFUFTOSSQMG-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@H](O)CNCc1cncs1)C(=O)CC[NH+](C)C ZINC001423472246 1011171933 /nfs/dbraw/zinc/17/19/33/1011171933.db2.gz PPCYSXSKZRYDLQ-LLVKDONJSA-N 1 3 300.428 0.004 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423473103 1011173810 /nfs/dbraw/zinc/17/38/10/1011173810.db2.gz FYMPXEDGMSNECL-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CCn2cncn2)CC1 ZINC001423514414 1011201675 /nfs/dbraw/zinc/20/16/75/1011201675.db2.gz KZSZVQDZBQNYLT-UHFFFAOYSA-N 1 3 322.457 0.589 20 0 DCADHO CC1CCN(CC(=O)N2CC(NC(=O)CCC[NH+](C)C)C2)CC1 ZINC001456398583 1011239894 /nfs/dbraw/zinc/23/98/94/1011239894.db2.gz ZKYZSYHRCXADFS-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1)C(N)=O ZINC001423547740 1011244556 /nfs/dbraw/zinc/24/45/56/1011244556.db2.gz ZHGFKIGCFDIQCZ-JSGCOSHPSA-N 1 3 324.469 0.609 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1)CC(C)(C)C ZINC001456425548 1011262043 /nfs/dbraw/zinc/26/20/43/1011262043.db2.gz SFNPAGIQDJGCMI-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001423616598 1011348739 /nfs/dbraw/zinc/34/87/39/1011348739.db2.gz QPTYQOGODVASBB-CHWSQXEVSA-N 1 3 312.458 0.147 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001423616598 1011348750 /nfs/dbraw/zinc/34/87/50/1011348750.db2.gz QPTYQOGODVASBB-CHWSQXEVSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001423655626 1011394183 /nfs/dbraw/zinc/39/41/83/1011394183.db2.gz ZECIYWVUTODSAT-OCCSQVGLSA-N 1 3 312.458 0.419 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001457306937 1011661253 /nfs/dbraw/zinc/66/12/53/1011661253.db2.gz VRHJIOCPVZJWNH-CYBMUJFWSA-N 1 3 321.425 0.320 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN[C@H]2CCCNC2=O)CC1 ZINC001445468675 1011795847 /nfs/dbraw/zinc/79/58/47/1011795847.db2.gz GRKFURGGFITLOY-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001432036007 1011894059 /nfs/dbraw/zinc/89/40/59/1011894059.db2.gz MBUZMOVCEJJLRC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001432036007 1011894071 /nfs/dbraw/zinc/89/40/71/1011894071.db2.gz MBUZMOVCEJJLRC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001445547469 1011908694 /nfs/dbraw/zinc/90/86/94/1011908694.db2.gz MRWAFWYUTWWKFB-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cnn(C)c2)CC[N@H+]1C ZINC001445547469 1011908700 /nfs/dbraw/zinc/90/87/00/1011908700.db2.gz MRWAFWYUTWWKFB-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001445558669 1011927380 /nfs/dbraw/zinc/92/73/80/1011927380.db2.gz XHXYBWCCGAAJMV-LBPRGKRZSA-N 1 3 307.442 0.807 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001445596201 1011980322 /nfs/dbraw/zinc/98/03/22/1011980322.db2.gz VPJIXZIZLWCSCB-STQMWFEESA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553467446 1012004846 /nfs/dbraw/zinc/00/48/46/1012004846.db2.gz XCQUEHHOKGPLNG-VHDGCEQUSA-N 1 3 322.453 0.618 20 0 DCADHO [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCCCC1 ZINC001553491018 1012022103 /nfs/dbraw/zinc/02/21/03/1012022103.db2.gz JPDYIQGTZWJPOC-HUUCEWRRSA-N 1 3 324.469 0.889 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553497668 1012034003 /nfs/dbraw/zinc/03/40/03/1012034003.db2.gz LLVKZCMQLGDJGE-CAOSSQGBSA-N 1 3 324.469 0.745 20 0 DCADHO [NH3+][C@]1(c2ccccc2)CCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC001553500115 1012038541 /nfs/dbraw/zinc/03/85/41/1012038541.db2.gz BSAWHKUTJIHUQM-GDBMZVCRSA-N 1 3 304.394 0.244 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553514203 1012058182 /nfs/dbraw/zinc/05/81/82/1012058182.db2.gz IJQMBTHHMNPUER-LXTVHRRPSA-N 1 3 310.442 0.225 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553533703 1012088313 /nfs/dbraw/zinc/08/83/13/1012088313.db2.gz VUIKUTNBRZMNDF-YJNKXOJESA-N 1 3 310.442 0.354 20 0 DCADHO Cn1cnc([C@H]2CN(C(=O)NC[C@H]3CCCCN3C)C[C@H]2[NH3+])c1 ZINC001553544716 1012094628 /nfs/dbraw/zinc/09/46/28/1012094628.db2.gz BWADSJISDAJYPD-HZSPNIEDSA-N 1 3 320.441 0.341 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001553549743 1012097130 /nfs/dbraw/zinc/09/71/30/1012097130.db2.gz KINAQZORQLNEKK-ZIAGYGMSSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001553549743 1012097142 /nfs/dbraw/zinc/09/71/42/1012097142.db2.gz KINAQZORQLNEKK-ZIAGYGMSSA-N 1 3 321.429 0.178 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001424240393 1012222887 /nfs/dbraw/zinc/22/28/87/1012222887.db2.gz DZDULCHQZOEPFQ-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001424240393 1012222900 /nfs/dbraw/zinc/22/29/00/1012222900.db2.gz DZDULCHQZOEPFQ-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445762498 1012224550 /nfs/dbraw/zinc/22/45/50/1012224550.db2.gz ZBVVTVLMMOADBF-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445762498 1012224561 /nfs/dbraw/zinc/22/45/61/1012224561.db2.gz ZBVVTVLMMOADBF-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1 ZINC001445986998 1012490977 /nfs/dbraw/zinc/49/09/77/1012490977.db2.gz NMNLUHCTJWXGOT-CQSZACIVSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001432458047 1012513062 /nfs/dbraw/zinc/51/30/62/1012513062.db2.gz NVRJKPCFYKOCRQ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001432458047 1012513082 /nfs/dbraw/zinc/51/30/82/1012513082.db2.gz NVRJKPCFYKOCRQ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC(=O)N2CCC2)CC1 ZINC001424495987 1012579886 /nfs/dbraw/zinc/57/98/86/1012579886.db2.gz CCEMOWBUIVRHEF-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548554898 1012706795 /nfs/dbraw/zinc/70/67/95/1012706795.db2.gz FVDHZNJVIVXLKH-MRXNPFEDSA-N 1 3 315.377 0.564 20 0 DCADHO CO[C@@H](CN)C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001548588425 1012769485 /nfs/dbraw/zinc/76/94/85/1012769485.db2.gz FMVQQPAAVMRWMC-ZFWWWQNUSA-N 1 3 319.405 0.804 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(C)CCN([C@@H]2CCCNC2=O)CC1 ZINC001446652648 1012883778 /nfs/dbraw/zinc/88/37/78/1012883778.db2.gz UJTPPWDROPBKAV-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO O=C1OC[C@@H]2CN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001460570412 1012937266 /nfs/dbraw/zinc/93/72/66/1012937266.db2.gz YFEZEIWXJUHPQO-BQFCYCMXSA-N 1 3 316.401 0.728 20 0 DCADHO O=C1OC[C@@H]2CN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001460570412 1012937280 /nfs/dbraw/zinc/93/72/80/1012937280.db2.gz YFEZEIWXJUHPQO-BQFCYCMXSA-N 1 3 316.401 0.728 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2(CNCC(N)=O)CCCCC2)CC[N@@H+]1C ZINC001506515111 1017333763 /nfs/dbraw/zinc/33/37/63/1017333763.db2.gz AFNVOARLQMECMT-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2(CNCC(N)=O)CCCCC2)CC[N@H+]1C ZINC001506515111 1017333778 /nfs/dbraw/zinc/33/37/78/1017333778.db2.gz AFNVOARLQMECMT-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001479348028 1017510292 /nfs/dbraw/zinc/51/02/92/1017510292.db2.gz MZKHFTZZNITVPQ-HZSPNIEDSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001479453390 1017560012 /nfs/dbraw/zinc/56/00/12/1017560012.db2.gz BSHVPNKXGKUKKY-MJBXVCDLSA-N 1 3 324.469 0.609 20 0 DCADHO Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]3C2)cn1 ZINC001506802581 1017568288 /nfs/dbraw/zinc/56/82/88/1017568288.db2.gz JDUDWAMDJLYENJ-QKDCVEJESA-N 1 3 305.426 0.166 20 0 DCADHO C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001506841343 1017603020 /nfs/dbraw/zinc/60/30/20/1017603020.db2.gz AZNPVTZIAANQQR-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](NCCF)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001506848904 1017611917 /nfs/dbraw/zinc/61/19/17/1017611917.db2.gz GWWRLEKMKYRMLV-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001506860129 1017620721 /nfs/dbraw/zinc/62/07/21/1017620721.db2.gz VLXHXXKEAGXEKR-MELADBBJSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001506860129 1017620730 /nfs/dbraw/zinc/62/07/30/1017620730.db2.gz VLXHXXKEAGXEKR-MELADBBJSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](C(=O)NCCCN(C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001479794078 1017775220 /nfs/dbraw/zinc/77/52/20/1017775220.db2.gz CLOHPPBZXAFZMI-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497050159 1017785180 /nfs/dbraw/zinc/78/51/80/1017785180.db2.gz VRKALHRIPRFWSG-INIZCTEOSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001497127690 1017899675 /nfs/dbraw/zinc/89/96/75/1017899675.db2.gz VRHJIOCPVZJWNH-ZDUSSCGKSA-N 1 3 321.425 0.320 20 0 DCADHO CCn1ccc(CNCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001497308142 1018036130 /nfs/dbraw/zinc/03/61/30/1018036130.db2.gz SFUZNODZSZXHOF-AWEZNQCLSA-N 1 3 319.453 0.983 20 0 DCADHO CCNC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001480042528 1018154180 /nfs/dbraw/zinc/15/41/80/1018154180.db2.gz HJKDICZKZTZQIJ-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001480042528 1018154184 /nfs/dbraw/zinc/15/41/84/1018154184.db2.gz HJKDICZKZTZQIJ-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001497600984 1018264418 /nfs/dbraw/zinc/26/44/18/1018264418.db2.gz IUEZOYAAEJDDJQ-CGXNLCPXSA-N 1 3 322.453 0.354 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001497600984 1018264429 /nfs/dbraw/zinc/26/44/29/1018264429.db2.gz IUEZOYAAEJDDJQ-CGXNLCPXSA-N 1 3 322.453 0.354 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)CC(C)(C)C ZINC001480158053 1018265755 /nfs/dbraw/zinc/26/57/55/1018265755.db2.gz IASVJMMUBQWYNR-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)CC ZINC001495094703 1018304958 /nfs/dbraw/zinc/30/49/58/1018304958.db2.gz QPIXSUAHXZXASX-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001497732319 1018374521 /nfs/dbraw/zinc/37/45/21/1018374521.db2.gz QTGJNOHQGSMEGV-NWRQEBOHSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001497732319 1018374530 /nfs/dbraw/zinc/37/45/30/1018374530.db2.gz QTGJNOHQGSMEGV-NWRQEBOHSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1cnn(C)c1 ZINC001480481013 1018578384 /nfs/dbraw/zinc/57/83/84/1018578384.db2.gz VBSOVOXGDWIHLT-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1cnn(C)c1 ZINC001480481013 1018578391 /nfs/dbraw/zinc/57/83/91/1018578391.db2.gz VBSOVOXGDWIHLT-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001498051543 1018614210 /nfs/dbraw/zinc/61/42/10/1018614210.db2.gz XCODRGRHISHGQK-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccnn1C ZINC001495685701 1018650284 /nfs/dbraw/zinc/65/02/84/1018650284.db2.gz UDOMGFHMJIHWPV-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495694407 1018655570 /nfs/dbraw/zinc/65/55/70/1018655570.db2.gz DYCSAIVRKAGDNJ-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)NC1CC1 ZINC001480664808 1018755516 /nfs/dbraw/zinc/75/55/16/1018755516.db2.gz DCOLKGSJMXOWLG-VXGBXAGGSA-N 1 3 319.409 0.057 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070587 1018864090 /nfs/dbraw/zinc/86/40/90/1018864090.db2.gz HOMYZTJWVJTEBO-STQMWFEESA-N 1 3 321.425 0.305 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001498360852 1019002033 /nfs/dbraw/zinc/00/20/33/1019002033.db2.gz GPYINFGUOOELRW-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001498360852 1019002046 /nfs/dbraw/zinc/00/20/46/1019002046.db2.gz GPYINFGUOOELRW-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001496081530 1019044952 /nfs/dbraw/zinc/04/49/52/1019044952.db2.gz AODDKFPESFGVQA-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496096022 1019062644 /nfs/dbraw/zinc/06/26/44/1019062644.db2.gz IEDPGLFWJXGOKG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496133391 1019098612 /nfs/dbraw/zinc/09/86/12/1019098612.db2.gz WOPAFGJFVMVLCG-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001496279195 1019211961 /nfs/dbraw/zinc/21/19/61/1019211961.db2.gz LKJBNHCMOCVBKY-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001501641338 1019346464 /nfs/dbraw/zinc/34/64/64/1019346464.db2.gz VNAILUATLDBDLK-UKRRQHHQSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(N)=O ZINC001496572602 1019426315 /nfs/dbraw/zinc/42/63/15/1019426315.db2.gz YFXYNZHAXDVFPL-CYBMUJFWSA-N 1 3 310.442 0.078 20 0 DCADHO CN(CCO)CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001496750227 1019608539 /nfs/dbraw/zinc/60/85/39/1019608539.db2.gz JMEFVGDYRXYGOR-UHFFFAOYSA-N 1 3 307.438 0.787 20 0 DCADHO COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001502057737 1019667384 /nfs/dbraw/zinc/66/73/84/1019667384.db2.gz FNXQFLJXGVVSLW-DZGCQCFKSA-N 1 3 313.442 0.323 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001493843493 1019753108 /nfs/dbraw/zinc/75/31/08/1019753108.db2.gz LFPUQVJYBNDIGA-CQSZACIVSA-N 1 3 324.469 0.420 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494096448 1019980670 /nfs/dbraw/zinc/98/06/70/1019980670.db2.gz JGVXIIREWLDFSP-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001494096448 1019980678 /nfs/dbraw/zinc/98/06/78/1019980678.db2.gz JGVXIIREWLDFSP-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494247127 1020097033 /nfs/dbraw/zinc/09/70/33/1020097033.db2.gz RLSXJFDHCUEIAC-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418197297 282111651 /nfs/dbraw/zinc/11/16/51/282111651.db2.gz STQYGQNCOOBFKZ-CQSZACIVSA-N 1 3 321.425 0.559 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000236881279 202049027 /nfs/dbraw/zinc/04/90/27/202049027.db2.gz RYWSTBADBRMMKL-HZPDHXFCSA-N 1 3 310.486 0.766 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000236975561 202102383 /nfs/dbraw/zinc/10/23/83/202102383.db2.gz AJAHFJZQQNYFHN-CABCVRRESA-N 1 3 308.470 0.518 20 0 DCADHO CSCC[C@H](N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000157315685 291227987 /nfs/dbraw/zinc/22/79/87/291227987.db2.gz QWKUXJJVWAPION-STQMWFEESA-N 1 3 303.472 0.276 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC000162966406 291245266 /nfs/dbraw/zinc/24/52/66/291245266.db2.gz XNIMVNVAJMINGS-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO COCCN(C)CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566157992 291274925 /nfs/dbraw/zinc/27/49/25/291274925.db2.gz ZELZSQKVFPGRFN-CQSZACIVSA-N 1 3 309.414 0.116 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000566436013 291300866 /nfs/dbraw/zinc/30/08/66/291300866.db2.gz WSNRQAOSQILPMI-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000566436013 291300870 /nfs/dbraw/zinc/30/08/70/291300870.db2.gz WSNRQAOSQILPMI-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000566676892 291317629 /nfs/dbraw/zinc/31/76/29/291317629.db2.gz WCMBAGIGESENSN-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423577329 240214372 /nfs/dbraw/zinc/21/43/72/240214372.db2.gz HIKFGOOSFDOPDN-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000567348772 291350048 /nfs/dbraw/zinc/35/00/48/291350048.db2.gz NHSHJANBPTYHMW-QWHCGFSZSA-N 1 3 306.414 0.196 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@@H](O)CC(F)(F)F)C1 ZINC000567681901 291368939 /nfs/dbraw/zinc/36/89/39/291368939.db2.gz AJIWTCYTLXMZSQ-MNOVXSKESA-N 1 3 311.348 0.477 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@H](O)CC(F)(F)F)C1 ZINC000567681901 291368941 /nfs/dbraw/zinc/36/89/41/291368941.db2.gz AJIWTCYTLXMZSQ-MNOVXSKESA-N 1 3 311.348 0.477 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000569571611 291485399 /nfs/dbraw/zinc/48/53/99/291485399.db2.gz LQFMTMQPWGIHLM-RHSMWYFYSA-N 1 3 323.437 0.377 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000339670544 253123891 /nfs/dbraw/zinc/12/38/91/253123891.db2.gz GSOBLGUKSVCDDY-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000339670544 253123893 /nfs/dbraw/zinc/12/38/93/253123893.db2.gz GSOBLGUKSVCDDY-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)C1CC1 ZINC000340479953 253261475 /nfs/dbraw/zinc/26/14/75/253261475.db2.gz NTKXXMIKLFRFEV-IPYPFGDCSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N(C)C1CC1 ZINC000340479953 253261478 /nfs/dbraw/zinc/26/14/78/253261478.db2.gz NTKXXMIKLFRFEV-IPYPFGDCSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)C[NH+]1CCCC1 ZINC000340767067 253300440 /nfs/dbraw/zinc/30/04/40/253300440.db2.gz JASFTKZIERTWHK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN(C)C1CC1)C[NH+]1CCCC1 ZINC000340802047 253305900 /nfs/dbraw/zinc/30/59/00/253305900.db2.gz SCBFDYVQZANVND-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000331565228 296384099 /nfs/dbraw/zinc/38/40/99/296384099.db2.gz UOJOTJMOIQONHD-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCCNCC2)C1 ZINC000331565228 296384101 /nfs/dbraw/zinc/38/41/01/296384101.db2.gz UOJOTJMOIQONHD-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000348767300 254254098 /nfs/dbraw/zinc/25/40/98/254254098.db2.gz VZIZRIJIHFMRIE-CQSZACIVSA-N 1 3 324.469 0.553 20 0 DCADHO Cc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c(CN(C)C)c1 ZINC000351557302 254346761 /nfs/dbraw/zinc/34/67/61/254346761.db2.gz PYLKEKIHEIBKKI-OAHLLOKOSA-N 1 3 318.421 0.863 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000351659383 254357250 /nfs/dbraw/zinc/35/72/50/254357250.db2.gz BUEVOOPGTJOZSI-HUUCEWRRSA-N 1 3 313.490 0.652 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000341995336 285202751 /nfs/dbraw/zinc/20/27/51/285202751.db2.gz MXCMUSBUBSJLKV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000341995336 285202752 /nfs/dbraw/zinc/20/27/52/285202752.db2.gz MXCMUSBUBSJLKV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NS(=O)(=O)[C@@H]1CCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420369242 262371736 /nfs/dbraw/zinc/37/17/36/262371736.db2.gz IOXINEFVYZXLGC-UONOGXRCSA-N 1 3 303.472 0.778 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1CCN(CCO)CC1 ZINC000111852559 395814286 /nfs/dbraw/zinc/81/42/86/395814286.db2.gz FYOWGTQHLSUQMR-CQSZACIVSA-N 1 3 314.474 0.720 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1CCN(CCO)CC1 ZINC000111852559 395814293 /nfs/dbraw/zinc/81/42/93/395814293.db2.gz FYOWGTQHLSUQMR-CQSZACIVSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118107888 395860512 /nfs/dbraw/zinc/86/05/12/395860512.db2.gz DTYSHNCEFAQXPE-UHFFFAOYSA-N 1 3 320.437 0.797 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000236840844 395898736 /nfs/dbraw/zinc/89/87/36/395898736.db2.gz UGFHUENKQLWVAQ-QGZVFWFLSA-N 1 3 324.469 0.389 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237028283 395901545 /nfs/dbraw/zinc/90/15/45/395901545.db2.gz HECIVOVZRBDNEM-RHSMWYFYSA-N 1 3 324.469 0.578 20 0 DCADHO COCCNCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237196928 395905986 /nfs/dbraw/zinc/90/59/86/395905986.db2.gz MDOBLPWWSCKJDE-QGZVFWFLSA-N 1 3 319.449 0.903 20 0 DCADHO COCCNCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237196928 395905990 /nfs/dbraw/zinc/90/59/90/395905990.db2.gz MDOBLPWWSCKJDE-QGZVFWFLSA-N 1 3 319.449 0.903 20 0 DCADHO C[C@H](C(=O)N1CCCCC1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261846002 396071921 /nfs/dbraw/zinc/07/19/21/396071921.db2.gz CZDOCMBGUHYTLJ-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000152433527 396008840 /nfs/dbraw/zinc/00/88/40/396008840.db2.gz OCJZRRZAPMDGHO-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)[N@@H+](C)CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000152433527 396008843 /nfs/dbraw/zinc/00/88/43/396008843.db2.gz OCJZRRZAPMDGHO-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000152433527 396008844 /nfs/dbraw/zinc/00/88/44/396008844.db2.gz OCJZRRZAPMDGHO-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000152433527 396008847 /nfs/dbraw/zinc/00/88/47/396008847.db2.gz OCJZRRZAPMDGHO-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCC[NH2+]3)ccc2oc1=O ZINC000070810731 396105356 /nfs/dbraw/zinc/10/53/56/396105356.db2.gz IOHZKRGGEPETRV-GFCCVEGCSA-N 1 3 318.377 0.847 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000262320343 396123835 /nfs/dbraw/zinc/12/38/35/396123835.db2.gz QGTBAPHFJHIGRO-UHFFFAOYSA-N 1 3 309.435 0.946 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262396036 396135217 /nfs/dbraw/zinc/13/52/17/396135217.db2.gz OXLYDDPTHWHSJZ-YQQAZPJKSA-N 1 3 309.454 0.993 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000263228094 396207608 /nfs/dbraw/zinc/20/76/08/396207608.db2.gz HEBZPRLWJTTYNV-YDHLFZDLSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000263228094 396207611 /nfs/dbraw/zinc/20/76/11/396207611.db2.gz HEBZPRLWJTTYNV-YDHLFZDLSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262503121 396148216 /nfs/dbraw/zinc/14/82/16/396148216.db2.gz ALKZBOIFFUNRLQ-QWHCGFSZSA-N 1 3 320.437 0.578 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074176665 396159912 /nfs/dbraw/zinc/15/99/12/396159912.db2.gz NFCFKZAMOSXHGE-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262714527 396174935 /nfs/dbraw/zinc/17/49/35/396174935.db2.gz TYGXTHUJQGTNHK-WFASDCNBSA-N 1 3 318.421 0.347 20 0 DCADHO C[C@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262714527 396174936 /nfs/dbraw/zinc/17/49/36/396174936.db2.gz TYGXTHUJQGTNHK-WFASDCNBSA-N 1 3 318.421 0.347 20 0 DCADHO CC(C)COC[C@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180926620 396235630 /nfs/dbraw/zinc/23/56/30/396235630.db2.gz RYYXQBCJKOUOSF-QGZVFWFLSA-N 1 3 315.502 0.978 20 0 DCADHO CC(C)COC[C@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180926620 396235632 /nfs/dbraw/zinc/23/56/32/396235632.db2.gz RYYXQBCJKOUOSF-QGZVFWFLSA-N 1 3 315.502 0.978 20 0 DCADHO CCS(=O)(=O)C[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000182342016 396249710 /nfs/dbraw/zinc/24/97/10/396249710.db2.gz KAKJLSRDRGCYTK-ZDUSSCGKSA-N 1 3 305.488 0.425 20 0 DCADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000372355415 396510265 /nfs/dbraw/zinc/51/02/65/396510265.db2.gz IEESJTUJQBMLPY-HNNXBMFYSA-N 1 3 308.470 0.755 20 0 DCADHO Cn1cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(=O)n(C)c1=O ZINC000290342336 396466669 /nfs/dbraw/zinc/46/66/69/396466669.db2.gz FMDSUUDUCVQQCA-GXTWGEPZSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(=O)n(C)c1=O ZINC000290342336 396466671 /nfs/dbraw/zinc/46/66/71/396466671.db2.gz FMDSUUDUCVQQCA-GXTWGEPZSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)c(=O)n(C)c1=O ZINC000290342336 396466674 /nfs/dbraw/zinc/46/66/74/396466674.db2.gz FMDSUUDUCVQQCA-GXTWGEPZSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)c(=O)n(C)c1=O ZINC000290342336 396466675 /nfs/dbraw/zinc/46/66/75/396466675.db2.gz FMDSUUDUCVQQCA-GXTWGEPZSA-N 1 3 306.410 0.000 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519768989 396526351 /nfs/dbraw/zinc/52/63/51/396526351.db2.gz MPDMFMUSDBWZJG-RRFJBIMHSA-N 1 3 305.426 0.548 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000581300625 396542416 /nfs/dbraw/zinc/54/24/16/396542416.db2.gz BZUZCCHOBBIMSJ-CQSZACIVSA-N 1 3 322.453 0.235 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373428576 396590445 /nfs/dbraw/zinc/59/04/45/396590445.db2.gz YREBLSFSZRCKJC-CZUORRHYSA-N 1 3 301.394 0.429 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000582002253 396600134 /nfs/dbraw/zinc/60/01/34/396600134.db2.gz WTTBWHNGAFLNDE-GFCCVEGCSA-N 1 3 307.350 0.388 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000373961608 396626428 /nfs/dbraw/zinc/62/64/28/396626428.db2.gz GRZUFCWEHOCTBJ-HOTGVXAUSA-N 1 3 324.469 0.977 20 0 DCADHO Cc1nc2ccnn2cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000562639015 396672912 /nfs/dbraw/zinc/67/29/12/396672912.db2.gz SBESYVIVZXKYBH-UHFFFAOYSA-N 1 3 318.425 0.603 20 0 DCADHO COC(=O)CCN1CC[C@@H](N2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000595895356 396677421 /nfs/dbraw/zinc/67/74/21/396677421.db2.gz JTXFZTIBOUJPDQ-LSDHHAIUSA-N 1 3 323.437 0.472 20 0 DCADHO CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900227 396679304 /nfs/dbraw/zinc/67/93/04/396679304.db2.gz BPTQMPABGBWJFH-TZMCWYRMSA-N 1 3 310.442 0.932 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000562815210 396681269 /nfs/dbraw/zinc/68/12/69/396681269.db2.gz WUTUXLKQAGOSHP-OAHLLOKOSA-N 1 3 314.474 0.767 20 0 DCADHO COC[C@@]1(CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)CCC[NH2+]1 ZINC000562815044 396681441 /nfs/dbraw/zinc/68/14/41/396681441.db2.gz BKDCNJKJFVLTDH-IRXDYDNUSA-N 1 3 324.469 0.882 20 0 DCADHO CC(C)N1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562987290 396691478 /nfs/dbraw/zinc/69/14/78/396691478.db2.gz XFKKLAOHSADCCL-UXLLHSPISA-N 1 3 313.486 0.919 20 0 DCADHO CC(C)[NH+]1CCC(NC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562987290 396691479 /nfs/dbraw/zinc/69/14/79/396691479.db2.gz XFKKLAOHSADCCL-UXLLHSPISA-N 1 3 313.486 0.919 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)OC)CC2)CC1 ZINC000563370092 396724739 /nfs/dbraw/zinc/72/47/39/396724739.db2.gz PTMIYBZNFBIGQT-UHFFFAOYSA-N 1 3 311.426 0.472 20 0 DCADHO O[C@@H](C[NH2+]CCc1nnc2n1CCCCC2)CN1CCCC1 ZINC000629555124 396784036 /nfs/dbraw/zinc/78/40/36/396784036.db2.gz VXRBRUOKISMWGL-AWEZNQCLSA-N 1 3 307.442 0.593 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)C2 ZINC000629595988 396802750 /nfs/dbraw/zinc/80/27/50/396802750.db2.gz OULQKCLQPCGMCH-LSDHHAIUSA-N 1 3 322.453 0.087 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)C2 ZINC000629595988 396802753 /nfs/dbraw/zinc/80/27/53/396802753.db2.gz OULQKCLQPCGMCH-LSDHHAIUSA-N 1 3 322.453 0.087 20 0 DCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCNCC1 ZINC000331519859 396872751 /nfs/dbraw/zinc/87/27/51/396872751.db2.gz NMTUOCMMGSECKP-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCNCC1 ZINC000331519859 396872752 /nfs/dbraw/zinc/87/27/52/396872752.db2.gz NMTUOCMMGSECKP-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC000569867043 396920156 /nfs/dbraw/zinc/92/01/56/396920156.db2.gz CAYDYCYVQGOJSW-MCIONIFRSA-N 1 3 308.426 0.021 20 0 DCADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[NH+](C)C ZINC000376383488 396920954 /nfs/dbraw/zinc/92/09/54/396920954.db2.gz OBEMGOYUAYKICG-DKUMPPAJSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340265682 396968032 /nfs/dbraw/zinc/96/80/32/396968032.db2.gz QDNHCJSYRBBIRN-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000340265682 396968038 /nfs/dbraw/zinc/96/80/38/396968038.db2.gz QDNHCJSYRBBIRN-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000571422983 396951680 /nfs/dbraw/zinc/95/16/80/396951680.db2.gz BGIBDGNAFOROHH-PBHICJAKSA-N 1 3 322.453 0.189 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000611954898 396958774 /nfs/dbraw/zinc/95/87/74/396958774.db2.gz FBAOJQHHUZDUPG-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000611954898 396958775 /nfs/dbraw/zinc/95/87/75/396958775.db2.gz FBAOJQHHUZDUPG-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO [NH3+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000571872542 396996145 /nfs/dbraw/zinc/99/61/45/396996145.db2.gz OKPDQPNJGZPQRG-HNNXBMFYSA-N 1 3 322.453 0.271 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000345425218 397011851 /nfs/dbraw/zinc/01/18/51/397011851.db2.gz HXRNMTCFPRGNKC-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO COCCN1CCC([NH2+][C@H](C)CCN2CCN(C)CC2)CC1 ZINC000349376606 397070684 /nfs/dbraw/zinc/07/06/84/397070684.db2.gz GEQQCXRGFCENLE-MRXNPFEDSA-N 1 3 312.502 0.713 20 0 DCADHO CN1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](CN)C1 ZINC000572705784 397085809 /nfs/dbraw/zinc/08/58/09/397085809.db2.gz JWQVZQIGVNDPIC-HNNXBMFYSA-N 1 3 309.458 0.145 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCC[C@H]2CCC[NH2+]C2)N(C)C1 ZINC000572739112 397090459 /nfs/dbraw/zinc/09/04/59/397090459.db2.gz RVIYZIKBACEJTK-ILXRZTDVSA-N 1 3 312.458 0.737 20 0 DCADHO [NH3+]Cc1cnn(Cc2cn(CCCN3CCSCC3)nn2)c1 ZINC000630589892 397056652 /nfs/dbraw/zinc/05/66/52/397056652.db2.gz MSWBPSSKNHKFRJ-UHFFFAOYSA-N 1 3 321.454 0.421 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000377805224 397143470 /nfs/dbraw/zinc/14/34/70/397143470.db2.gz RGWQHTBRXYLJRF-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000377805224 397143474 /nfs/dbraw/zinc/14/34/74/397143474.db2.gz RGWQHTBRXYLJRF-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612887693 397155908 /nfs/dbraw/zinc/15/59/08/397155908.db2.gz KZOWESZJCOPPFD-INIZCTEOSA-N 1 3 312.458 0.927 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612969298 397166319 /nfs/dbraw/zinc/16/63/19/397166319.db2.gz DUDHAWNSGNROFE-AWEZNQCLSA-N 1 3 310.442 0.539 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCNCC1 ZINC000573464928 397171599 /nfs/dbraw/zinc/17/15/99/397171599.db2.gz CVYJTGQEWWZDGS-LSDHHAIUSA-N 1 3 308.470 0.518 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000572959271 397116173 /nfs/dbraw/zinc/11/61/73/397116173.db2.gz BCAFUTKKBVNVLW-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378304004 397225882 /nfs/dbraw/zinc/22/58/82/397225882.db2.gz IGXSNNUYNAWYRN-HOTGVXAUSA-N 1 3 310.486 0.811 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000574521635 397276710 /nfs/dbraw/zinc/27/67/10/397276710.db2.gz FTLZVNGVWBDPJL-UHFFFAOYSA-N 1 3 319.453 0.762 20 0 DCADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478843 397277326 /nfs/dbraw/zinc/27/73/26/397277326.db2.gz ITNPFMJYRKYMBU-IRXDYDNUSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620478843 397277334 /nfs/dbraw/zinc/27/73/34/397277334.db2.gz ITNPFMJYRKYMBU-IRXDYDNUSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620478844 397277921 /nfs/dbraw/zinc/27/79/21/397277921.db2.gz ITNPFMJYRKYMBU-SJORKVTESA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620478844 397277924 /nfs/dbraw/zinc/27/79/24/397277924.db2.gz ITNPFMJYRKYMBU-SJORKVTESA-N 1 3 321.465 0.918 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486133 397278822 /nfs/dbraw/zinc/27/88/22/397278822.db2.gz BFBYTYAGFJECKY-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620486133 397278827 /nfs/dbraw/zinc/27/88/27/397278827.db2.gz BFBYTYAGFJECKY-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000574636340 397286834 /nfs/dbraw/zinc/28/68/34/397286834.db2.gz ZJHMYRZONXNXRN-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000574687687 397291045 /nfs/dbraw/zinc/29/10/45/397291045.db2.gz KQNJEHRMHUMJAJ-UHFFFAOYSA-N 1 3 316.409 0.619 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CCC(CC[NH3+])CC2)CC1 ZINC000387232790 397293666 /nfs/dbraw/zinc/29/36/66/397293666.db2.gz JMRMDEAVCHKBNJ-UHFFFAOYSA-N 1 3 311.426 0.459 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CCN(C2CCC2)C1 ZINC000577269757 397317347 /nfs/dbraw/zinc/31/73/47/397317347.db2.gz OZBNDTUBWALRIX-HOCLYGCPSA-N 1 3 323.485 0.406 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000414696612 397367523 /nfs/dbraw/zinc/36/75/23/397367523.db2.gz BAWVKCPMPSCMBD-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000578323854 397420512 /nfs/dbraw/zinc/42/05/12/397420512.db2.gz ZAJSZEDIHHIWAO-RRFJBIMHSA-N 1 3 324.469 0.705 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000578352398 397424725 /nfs/dbraw/zinc/42/47/25/397424725.db2.gz YPXXPPDEHKVPAT-HRCADAONSA-N 1 3 305.422 0.652 20 0 DCADHO C[C@@H]1CN(CCc2cnn(C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370150949 397447788 /nfs/dbraw/zinc/44/77/88/397447788.db2.gz TYEZGVFFPSKOMH-NVXWUHKLSA-N 1 3 305.470 0.920 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)C2)CC1 ZINC000602479968 397415548 /nfs/dbraw/zinc/41/55/48/397415548.db2.gz CRYOFWATACJQBJ-CVEARBPZSA-N 1 3 306.454 0.661 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000487501740 397474983 /nfs/dbraw/zinc/47/49/83/397474983.db2.gz OVODMSZADOOOTR-DZKIICNBSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000487501740 397474987 /nfs/dbraw/zinc/47/49/87/397474987.db2.gz OVODMSZADOOOTR-DZKIICNBSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC[N@@H+]1C ZINC000579131743 397528640 /nfs/dbraw/zinc/52/86/40/397528640.db2.gz RIXBZYROTGBCPS-GXTWGEPZSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)CC[N@H+]1C ZINC000579131743 397528641 /nfs/dbraw/zinc/52/86/41/397528641.db2.gz RIXBZYROTGBCPS-GXTWGEPZSA-N 1 3 322.453 0.328 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC000604605218 397645074 /nfs/dbraw/zinc/64/50/74/397645074.db2.gz YUBQMDBGCVHQKF-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CC(C)CN(CC[NH+](C)C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126200349 158263535 /nfs/dbraw/zinc/26/35/35/158263535.db2.gz GRZUOWZHRPUGMA-AWEZNQCLSA-N 1 3 300.447 0.132 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000167210327 158367064 /nfs/dbraw/zinc/36/70/64/158367064.db2.gz ATFSLIVSJLBEMY-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CN(CCc2ccnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367258724 159325479 /nfs/dbraw/zinc/32/54/79/159325479.db2.gz RYIASQAZUVFNBG-NVXWUHKLSA-N 1 3 305.470 0.920 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@](C)(O)C3CC3)CC2)CC1 ZINC000367712233 159352636 /nfs/dbraw/zinc/35/26/36/159352636.db2.gz INVBDOXDHPULBR-QGZVFWFLSA-N 1 3 309.454 0.822 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COC[C@H]3CCCO3)CC[C@@H]21 ZINC000247970932 287095510 /nfs/dbraw/zinc/09/55/10/287095510.db2.gz JHVQBKZLYOSPBI-TWMKSMIVSA-N 1 3 312.454 0.959 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COC[C@H]3CCCO3)CC[C@@H]21 ZINC000247970932 287095515 /nfs/dbraw/zinc/09/55/15/287095515.db2.gz JHVQBKZLYOSPBI-TWMKSMIVSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COC[C@H]3CCCO3)CC[C@@H]21 ZINC000247970932 287095519 /nfs/dbraw/zinc/09/55/19/287095519.db2.gz JHVQBKZLYOSPBI-TWMKSMIVSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COC[C@H]3CCCO3)CC[C@@H]21 ZINC000247970932 287095521 /nfs/dbraw/zinc/09/55/21/287095521.db2.gz JHVQBKZLYOSPBI-TWMKSMIVSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000358722496 287212908 /nfs/dbraw/zinc/21/29/08/287212908.db2.gz OMYQQMCIKZBMEZ-BBRMVZONSA-N 1 3 314.474 0.719 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000332576408 287219139 /nfs/dbraw/zinc/21/91/39/287219139.db2.gz GCNHDWDXPNFMGU-LXTVHRRPSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H](NC(=O)N(CC[NH3+])CCO)[C@@H](c1ccccc1)N(C)C ZINC000418185607 287242006 /nfs/dbraw/zinc/24/20/06/287242006.db2.gz RALKHNYDJKDDHB-HIFRSBDPSA-N 1 3 308.426 0.640 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418353057 287245579 /nfs/dbraw/zinc/24/55/79/287245579.db2.gz VLCWCBUJRWAFGP-ZIAGYGMSSA-N 1 3 300.447 0.594 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418378139 287246428 /nfs/dbraw/zinc/24/64/28/287246428.db2.gz HTDOSZONAJVRLW-KBPBESRZSA-N 1 3 300.447 0.722 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418942113 287254611 /nfs/dbraw/zinc/25/46/11/287254611.db2.gz ADJFBQJMUQSHDP-AWEZNQCLSA-N 1 3 320.437 0.349 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])N(C)Cc1ccccc1 ZINC000418944531 287255622 /nfs/dbraw/zinc/25/56/22/287255622.db2.gz KFWDBDYRZWZQSU-UONOGXRCSA-N 1 3 320.437 0.429 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418992353 287259268 /nfs/dbraw/zinc/25/92/68/287259268.db2.gz ZPGKFCOGUFNSTO-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418992353 287259266 /nfs/dbraw/zinc/25/92/66/287259266.db2.gz ZPGKFCOGUFNSTO-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419021304 287261518 /nfs/dbraw/zinc/26/15/18/287261518.db2.gz GTDJRDMWZQQCPK-QPSCCSFWSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000419046147 287263628 /nfs/dbraw/zinc/26/36/28/287263628.db2.gz PACXBRTYDLTCTI-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419149603 287269636 /nfs/dbraw/zinc/26/96/36/287269636.db2.gz FIILNUCJYBIYGH-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CCN(CC)C(=O)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420295779 287286739 /nfs/dbraw/zinc/28/67/39/287286739.db2.gz CSAPWYVNNOFPKG-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420304177 287288219 /nfs/dbraw/zinc/28/82/19/287288219.db2.gz DNCNVXSRQRCDNA-BBWFWOEESA-N 1 3 316.449 0.557 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335030 287290921 /nfs/dbraw/zinc/29/09/21/287290921.db2.gz HDDDQHABQBWION-FPCVCCKLSA-N 1 3 309.454 0.992 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000420337748 287291736 /nfs/dbraw/zinc/29/17/36/287291736.db2.gz KAUANBJRUUMCGD-IKGGRYGDSA-N 1 3 316.449 0.699 20 0 DCADHO CN(CCC(=O)N1CCN(c2ccccn2)CC1)C1CC([NH3+])C1 ZINC000420340780 287292390 /nfs/dbraw/zinc/29/23/90/287292390.db2.gz UJVQQVJWLPLLDQ-UHFFFAOYSA-N 1 3 317.437 0.542 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000331605480 415151655 /nfs/dbraw/zinc/15/16/55/415151655.db2.gz IALIYAQXBKACLR-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331573727 415135619 /nfs/dbraw/zinc/13/56/19/415135619.db2.gz VNLOTKCVTUWPND-HZSPNIEDSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352351121 415143882 /nfs/dbraw/zinc/14/38/82/415143882.db2.gz WFFSNNBWAHAJIM-PBHICJAKSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352351121 415143887 /nfs/dbraw/zinc/14/38/87/415143887.db2.gz WFFSNNBWAHAJIM-PBHICJAKSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000422882447 287301248 /nfs/dbraw/zinc/30/12/48/287301248.db2.gz SGVOIDCVHKMZMB-USBNGQNGSA-N 1 3 304.394 0.957 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000332087113 415235462 /nfs/dbraw/zinc/23/54/62/415235462.db2.gz HULUVOJZSWGZEG-KBUPBQIOSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000332059514 415224953 /nfs/dbraw/zinc/22/49/53/415224953.db2.gz YGNIXQDQOXKQPR-KRWDZBQOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000332252776 415316641 /nfs/dbraw/zinc/31/66/41/415316641.db2.gz SRCSJHAHFSCOCY-KBUPBQIOSA-N 1 3 322.453 0.267 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000332299303 415337758 /nfs/dbraw/zinc/33/77/58/415337758.db2.gz HALLCSODXCROGJ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000332567850 415414966 /nfs/dbraw/zinc/41/49/66/415414966.db2.gz BTSPBCGWAPEFDU-YJNKXOJESA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000332567735 415415975 /nfs/dbraw/zinc/41/59/75/415415975.db2.gz VBKLFASVVQJOHM-YIYPIFLZSA-N 1 3 308.426 0.068 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000332382865 415373170 /nfs/dbraw/zinc/37/31/70/415373170.db2.gz VGXUCNYBGIDDDP-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343300239 415540395 /nfs/dbraw/zinc/54/03/95/415540395.db2.gz PZCHEWLXJIIQIU-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343300239 415540404 /nfs/dbraw/zinc/54/04/04/415540404.db2.gz PZCHEWLXJIIQIU-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000333143657 415568762 /nfs/dbraw/zinc/56/87/62/415568762.db2.gz CSIGEZISHVMBQV-LSDHHAIUSA-N 1 3 310.442 0.635 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N(C)C ZINC000106915555 415657286 /nfs/dbraw/zinc/65/72/86/415657286.db2.gz ZDNFBUOSAYZLIV-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N(C)C ZINC000106915555 415657290 /nfs/dbraw/zinc/65/72/90/415657290.db2.gz ZDNFBUOSAYZLIV-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO CN1CCC[C@]2(CCN(C(=O)NC[C@H]3C[NH2+]CCCO3)C2)C1 ZINC000333703049 415718088 /nfs/dbraw/zinc/71/80/88/415718088.db2.gz RCSJDKAPDDFABU-ZBFHGGJFSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@H]1CN(CCCN2CCOCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000343719559 415698730 /nfs/dbraw/zinc/69/87/30/415698730.db2.gz DWJVFTIGRUUXND-KRWDZBQOSA-N 1 3 324.513 0.809 20 0 DCADHO C[C@H]1CN(CCCN2CCOCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000343719559 415698736 /nfs/dbraw/zinc/69/87/36/415698736.db2.gz DWJVFTIGRUUXND-KRWDZBQOSA-N 1 3 324.513 0.809 20 0 DCADHO CC(C)OC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343877875 415763753 /nfs/dbraw/zinc/76/37/53/415763753.db2.gz ZBRQOBWYWJMRCL-ZACQAIPSSA-N 1 3 313.486 0.730 20 0 DCADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333949327 415769265 /nfs/dbraw/zinc/76/92/65/415769265.db2.gz XEILDCAKPOUSCW-WDNDVIMCSA-N 1 3 324.494 0.865 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333857800 415750840 /nfs/dbraw/zinc/75/08/40/415750840.db2.gz RHYXDSLJXJGQKZ-WFASDCNBSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@@]1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CCCCN1 ZINC000296371316 415924529 /nfs/dbraw/zinc/92/45/29/415924529.db2.gz JYVUCDJKLMYHMT-INIZCTEOSA-N 1 3 303.410 0.962 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC[C@](C)(O)C[NH+](C)C)CCSC1 ZINC000337653177 415990392 /nfs/dbraw/zinc/99/03/92/415990392.db2.gz LPHPNUACLPYORW-KBPBESRZSA-N 1 3 318.487 0.036 20 0 DCADHO CCN1CCC(NC(=O)CN2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000357089151 416031896 /nfs/dbraw/zinc/03/18/96/416031896.db2.gz YBRNLAILFLSVQK-INIZCTEOSA-N 1 3 322.497 0.908 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)NCCN1CCC(C)CC1 ZINC000175476950 416106741 /nfs/dbraw/zinc/10/67/41/416106741.db2.gz RWNAWBVSFRDZGC-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)NCCN1CCC(C)CC1 ZINC000175476950 416106744 /nfs/dbraw/zinc/10/67/44/416106744.db2.gz RWNAWBVSFRDZGC-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CN(C)[C@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000315937593 416115329 /nfs/dbraw/zinc/11/53/29/416115329.db2.gz RYTVYBWYYXJDRH-CQSZACIVSA-N 1 3 302.382 0.270 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCN1C ZINC000345802187 416153363 /nfs/dbraw/zinc/15/33/63/416153363.db2.gz ZSUIPRWGXKEKMK-RBSFLKMASA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346114007 416188382 /nfs/dbraw/zinc/18/83/82/416188382.db2.gz FVGCNMVXRDTCBB-KGLIPLIRSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000346524749 416196936 /nfs/dbraw/zinc/19/69/36/416196936.db2.gz GJBVSMLJMRYAFI-HIFRSBDPSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000346524749 416196939 /nfs/dbraw/zinc/19/69/39/416196939.db2.gz GJBVSMLJMRYAFI-HIFRSBDPSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000339650962 416162072 /nfs/dbraw/zinc/16/20/72/416162072.db2.gz KGWYHVVWVJUJCE-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CCC[N@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358503199 416244722 /nfs/dbraw/zinc/24/47/22/416244722.db2.gz XLVKMRUIBBCWST-IXDOHACOSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)N1CCC[N@@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358503199 416244725 /nfs/dbraw/zinc/24/47/25/416244725.db2.gz XLVKMRUIBBCWST-IXDOHACOSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000358533129 416252227 /nfs/dbraw/zinc/25/22/27/416252227.db2.gz UNTLSTWWNUGTTK-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N1CCN(C)CC1 ZINC000350259001 416266693 /nfs/dbraw/zinc/26/66/93/416266693.db2.gz XSDSKVNMLWSLRC-GJZGRUSLSA-N 1 3 313.490 0.508 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000262061359 416336276 /nfs/dbraw/zinc/33/62/76/416336276.db2.gz NZGVFDVGEKCEBC-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415402006 416341559 /nfs/dbraw/zinc/34/15/59/416341559.db2.gz VGNABXMYJVHCRQ-CQSZACIVSA-N 1 3 318.421 0.863 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415413871 416341665 /nfs/dbraw/zinc/34/16/65/416341665.db2.gz OKGCAYYVLYAAQF-ZDUSSCGKSA-N 1 3 320.437 0.701 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416025182 416359039 /nfs/dbraw/zinc/35/90/39/416359039.db2.gz GXYHINKKZZQUQR-VIFPVBQESA-N 1 3 300.325 0.144 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1[NH3+] ZINC000415840542 416355557 /nfs/dbraw/zinc/35/55/57/416355557.db2.gz NMPQQTOKFCDYTI-TZMCWYRMSA-N 1 3 318.421 0.535 20 0 DCADHO CN(CCN)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415874178 416357298 /nfs/dbraw/zinc/35/72/98/416357298.db2.gz AHPHITABJISXHN-UHFFFAOYSA-N 1 3 318.421 0.679 20 0 DCADHO CN(CCN)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415874178 416357301 /nfs/dbraw/zinc/35/73/01/416357301.db2.gz AHPHITABJISXHN-UHFFFAOYSA-N 1 3 318.421 0.679 20 0 DCADHO C[NH2+]CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000237221200 416328270 /nfs/dbraw/zinc/32/82/70/416328270.db2.gz MDTILSHMVJMEHN-UHFFFAOYSA-N 1 3 304.438 0.924 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000419847164 416414429 /nfs/dbraw/zinc/41/44/29/416414429.db2.gz ICINENNQIOVUNY-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419976622 416416533 /nfs/dbraw/zinc/41/65/33/416416533.db2.gz LRSLGELSGWYWAR-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000416818527 416378073 /nfs/dbraw/zinc/37/80/73/416378073.db2.gz ZRZMTEDZYIZENN-HZPDHXFCSA-N 1 3 319.453 0.492 20 0 DCADHO C[C@@H](CCC[NH3+])NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418117756 416384776 /nfs/dbraw/zinc/38/47/76/416384776.db2.gz SDWNYCMZTDUDLC-KBPBESRZSA-N 1 3 300.447 0.914 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000418933656 416394275 /nfs/dbraw/zinc/39/42/75/416394275.db2.gz ISPVOSONUHBOAT-ZFWWWQNUSA-N 1 3 320.437 0.649 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419288736 416398846 /nfs/dbraw/zinc/39/88/46/416398846.db2.gz SFGRUYBLTZUXEL-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])C1CC1 ZINC000419501231 416402727 /nfs/dbraw/zinc/40/27/27/416402727.db2.gz AXUDCUQRKURXQJ-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419526504 416403423 /nfs/dbraw/zinc/40/34/23/416403423.db2.gz TYDARCOLKKQUBS-ZQDZILKHSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419528065 416403753 /nfs/dbraw/zinc/40/37/53/416403753.db2.gz VYPVAEHRIWEAEE-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419775098 416409922 /nfs/dbraw/zinc/40/99/22/416409922.db2.gz KNNCGDLPLGSZRF-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419772393 416410188 /nfs/dbraw/zinc/41/01/88/416410188.db2.gz HJNMHAXSOMEISI-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000419794077 416412134 /nfs/dbraw/zinc/41/21/34/416412134.db2.gz DKZOUXKJZBJBJB-AWEZNQCLSA-N 1 3 314.474 0.711 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000423246691 416479823 /nfs/dbraw/zinc/47/98/23/416479823.db2.gz ZUNFDZPVRJKWSW-BFHYXJOUSA-N 1 3 310.442 0.125 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000423256008 416482220 /nfs/dbraw/zinc/48/22/20/416482220.db2.gz BFQZUAXXYONBTQ-KBPBESRZSA-N 1 3 308.426 0.023 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423285256 416484941 /nfs/dbraw/zinc/48/49/41/416484941.db2.gz ZGPXFHVBMLWROY-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000423283982 416485010 /nfs/dbraw/zinc/48/50/10/416485010.db2.gz XVLQBWNHOKEDBO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCN(CCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)C1CC1 ZINC000422292659 416424719 /nfs/dbraw/zinc/42/47/19/416424719.db2.gz JFQVXPXXEBWMMK-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)N(C)C1CC1 ZINC000422311383 416425904 /nfs/dbraw/zinc/42/59/04/416425904.db2.gz YDFUUQYDUXFYJL-IYXRBSQSSA-N 1 3 324.469 0.574 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCN1CCCOCC1 ZINC000361328269 416429876 /nfs/dbraw/zinc/42/98/76/416429876.db2.gz JPOHMVNSWYUEQM-IXDOHACOSA-N 1 3 311.470 0.892 20 0 DCADHO CN(CC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435613725 416528276 /nfs/dbraw/zinc/52/82/76/416528276.db2.gz CMYNBTHRVLYCJA-HNNXBMFYSA-N 1 3 308.470 0.803 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000423716791 416544852 /nfs/dbraw/zinc/54/48/52/416544852.db2.gz YHVNXIAKPONYPO-CQSZACIVSA-N 1 3 322.457 0.690 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)[C@@H]1C[NH3+] ZINC000423718391 416548335 /nfs/dbraw/zinc/54/83/35/416548335.db2.gz BWMZAMYQJSZOJZ-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CCO1 ZINC000423748616 416559426 /nfs/dbraw/zinc/55/94/26/416559426.db2.gz ATLJKUSQIQKTMV-WMZOPIPTSA-N 1 3 317.433 0.707 20 0 DCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000534277933 416496304 /nfs/dbraw/zinc/49/63/04/416496304.db2.gz CTABHFQFBCDMGH-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO COCCN1CC[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423381164 416501626 /nfs/dbraw/zinc/50/16/26/416501626.db2.gz HULOELPUSWLQBN-CHWSQXEVSA-N 1 3 324.391 0.133 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[C@H]1[NH3+] ZINC000584166881 416504133 /nfs/dbraw/zinc/50/41/33/416504133.db2.gz MJMRGOMHMCIWCU-RBSFLKMASA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCN(C(=O)NC[C@H]2NCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000584221766 416507655 /nfs/dbraw/zinc/50/76/55/416507655.db2.gz QMDVXBICGRWQSX-GOEBONIOSA-N 1 3 317.437 0.158 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423418121 416508129 /nfs/dbraw/zinc/50/81/29/416508129.db2.gz UFPVNOVKNPWSNO-CQSZACIVSA-N 1 3 312.458 0.517 20 0 DCADHO [NH3+]C1(CNC(=O)C[C@@H]2CNCCO2)C2CC3CC(C2)CC1C3 ZINC000424039862 416608708 /nfs/dbraw/zinc/60/87/08/416608708.db2.gz DIMGKOVFSUPURG-UWRLEFKFSA-N 1 3 307.438 0.635 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423791025 416567776 /nfs/dbraw/zinc/56/77/76/416567776.db2.gz BZOOCMVMWIJEQV-HIFRSBDPSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423791025 416567780 /nfs/dbraw/zinc/56/77/80/416567780.db2.gz BZOOCMVMWIJEQV-HIFRSBDPSA-N 1 3 312.458 0.323 20 0 DCADHO CN(C)CCOCCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423797894 416567897 /nfs/dbraw/zinc/56/78/97/416567897.db2.gz NQASNZIJLYZIHA-KRWDZBQOSA-N 1 3 305.422 0.612 20 0 DCADHO O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000424150458 416618269 /nfs/dbraw/zinc/61/82/69/416618269.db2.gz YXZGRKSDSKAGTI-STQMWFEESA-N 1 3 303.410 0.797 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424161762 416620729 /nfs/dbraw/zinc/62/07/29/416620729.db2.gz WBXOVANASFOCCL-STQMWFEESA-N 1 3 306.414 0.369 20 0 DCADHO CCN(CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1)C1CC1 ZINC000424459692 416647876 /nfs/dbraw/zinc/64/78/76/416647876.db2.gz WXSJNNXLGPGODS-UHFFFAOYSA-N 1 3 318.421 0.993 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000440914517 416653927 /nfs/dbraw/zinc/65/39/27/416653927.db2.gz SBISVSJPUHOIFY-HUUCEWRRSA-N 1 3 308.470 0.755 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000440914517 416653932 /nfs/dbraw/zinc/65/39/32/416653932.db2.gz SBISVSJPUHOIFY-HUUCEWRRSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCCN(C(=O)CCCC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000368397375 416662816 /nfs/dbraw/zinc/66/28/16/416662816.db2.gz MHWWSCFZPDTPES-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CN1CCCN(C(=O)CCCC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000368397375 416662821 /nfs/dbraw/zinc/66/28/21/416662821.db2.gz MHWWSCFZPDTPES-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO Cn1cc(N2CCC[C@H](N3CCC[C@@H](CC[NH3+])C3)C2=O)cn1 ZINC000443073180 416730316 /nfs/dbraw/zinc/73/03/16/416730316.db2.gz OWNORHVRLDGNRY-ZFWWWQNUSA-N 1 3 305.426 0.976 20 0 DCADHO CN(C)CCN(C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000426551199 416773476 /nfs/dbraw/zinc/77/34/76/416773476.db2.gz FJGWGAXQQKTXMV-GJZGRUSLSA-N 1 3 312.458 0.567 20 0 DCADHO Cc1cc(NC(=O)CC[NH2+]CCCCN2CCN(C)CC2)no1 ZINC000561592363 416862174 /nfs/dbraw/zinc/86/21/74/416862174.db2.gz IGLOOIFEMWGLKU-UHFFFAOYSA-N 1 3 323.441 0.929 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000519123944 416891119 /nfs/dbraw/zinc/89/11/19/416891119.db2.gz IYOPYTZEHJAPJZ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000518144015 416840187 /nfs/dbraw/zinc/84/01/87/416840187.db2.gz CNAFOEDYFVPVBU-AWEZNQCLSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC[N@@H+]1C ZINC000624137179 416963147 /nfs/dbraw/zinc/96/31/47/416963147.db2.gz FAERLDWMWKQDIX-XJFOESAGSA-N 1 3 303.472 0.919 20 0 DCADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC[N@H+]1C ZINC000624137179 416963154 /nfs/dbraw/zinc/96/31/54/416963154.db2.gz FAERLDWMWKQDIX-XJFOESAGSA-N 1 3 303.472 0.919 20 0 DCADHO Cc1nc(C)n(C[C@@H]2CN(C[C@@H]3CC[NH2+][C@@H](C)C3)CCO2)n1 ZINC000519349672 416901257 /nfs/dbraw/zinc/90/12/57/416901257.db2.gz RORNQBVPWOXPQY-MAZHCROVSA-N 1 3 307.442 0.984 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000519538516 416910158 /nfs/dbraw/zinc/91/01/58/416910158.db2.gz IHZPCNXAKOLTEF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCNC2)[C@H](C)C1 ZINC000371273878 416912506 /nfs/dbraw/zinc/91/25/06/416912506.db2.gz SMWAWGRETAATFB-YCPHGPKFSA-N 1 3 315.433 0.941 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCNC2)[C@H](C)C1 ZINC000371273878 416912514 /nfs/dbraw/zinc/91/25/14/416912514.db2.gz SMWAWGRETAATFB-YCPHGPKFSA-N 1 3 315.433 0.941 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970956 416931157 /nfs/dbraw/zinc/93/11/57/416931157.db2.gz GDZXSIIXCOBMKP-NEPJUHHUSA-N 1 3 305.430 0.788 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970956 416931166 /nfs/dbraw/zinc/93/11/66/416931166.db2.gz GDZXSIIXCOBMKP-NEPJUHHUSA-N 1 3 305.430 0.788 20 0 DCADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624006699 416939181 /nfs/dbraw/zinc/93/91/81/416939181.db2.gz CCTQNNHWDUBSJQ-ZDUSSCGKSA-N 1 3 313.409 0.655 20 0 DCADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624006699 416939186 /nfs/dbraw/zinc/93/91/86/416939186.db2.gz CCTQNNHWDUBSJQ-ZDUSSCGKSA-N 1 3 313.409 0.655 20 0 DCADHO CC1CC[NH+](C2CCC(Nc3nc(N)nc(N)n3)CC2)CC1 ZINC000624059770 416948638 /nfs/dbraw/zinc/94/86/38/416948638.db2.gz DUVDZIHRHJHEGE-UHFFFAOYSA-N 1 3 305.430 0.574 20 0 DCADHO COc1cnccc1N1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641866539 417014939 /nfs/dbraw/zinc/01/49/39/417014939.db2.gz DYLHJWXVNUFFAX-NSCUHMNNSA-N 1 3 305.382 0.437 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000642013784 417021826 /nfs/dbraw/zinc/02/18/26/417021826.db2.gz HBRKRFYFHBCPIE-ZNMIVQPWSA-N 1 3 310.442 0.396 20 0 DCADHO Nc1nc(N)nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000624172116 416971768 /nfs/dbraw/zinc/97/17/68/416971768.db2.gz HXUWPYSRFYUHPD-BETUJISGSA-N 1 3 311.393 0.265 20 0 DCADHO Nc1nc(N)nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000624172116 416971771 /nfs/dbraw/zinc/97/17/71/416971771.db2.gz HXUWPYSRFYUHPD-BETUJISGSA-N 1 3 311.393 0.265 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000429671062 287340670 /nfs/dbraw/zinc/34/06/70/287340670.db2.gz JENIYGLARWAXRR-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000429671062 287340672 /nfs/dbraw/zinc/34/06/72/287340672.db2.gz JENIYGLARWAXRR-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[NH+]1CCCCC1 ZINC000520839451 416980668 /nfs/dbraw/zinc/98/06/68/416980668.db2.gz FDDRSMJZLREPTQ-SOUVJXGZSA-N 1 3 322.453 0.267 20 0 DCADHO CN(CCC(=O)N1CCN(C)CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000429692011 416987947 /nfs/dbraw/zinc/98/79/47/416987947.db2.gz YVYVKHXOJSVLDO-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CN(CCC(=O)N1CCN(C)CC1)CC[C@H]1CCCC[N@H+]1C ZINC000429692011 416987953 /nfs/dbraw/zinc/98/79/53/416987953.db2.gz YVYVKHXOJSVLDO-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CN1CCN(C(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)CC1 ZINC000429692011 416987958 /nfs/dbraw/zinc/98/79/58/416987958.db2.gz YVYVKHXOJSVLDO-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)CC1 ZINC000429692011 416987967 /nfs/dbraw/zinc/98/79/67/416987967.db2.gz YVYVKHXOJSVLDO-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642329752 417045443 /nfs/dbraw/zinc/04/54/43/417045443.db2.gz AJPYTMIDTARSCM-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000430598704 417048068 /nfs/dbraw/zinc/04/80/68/417048068.db2.gz OOXLWPMSFYICOS-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000642439764 417051219 /nfs/dbraw/zinc/05/12/19/417051219.db2.gz OMRUBWVIMZJTBD-BFHYXJOUSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000642439337 417052865 /nfs/dbraw/zinc/05/28/65/417052865.db2.gz BTMFNDLXDWOFDU-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000642439503 417053213 /nfs/dbraw/zinc/05/32/13/417053213.db2.gz JWLOFCZGJCWKDS-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000642440158 417054345 /nfs/dbraw/zinc/05/43/45/417054345.db2.gz XLDNRRKKTMRBGU-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc[nH]c1=O ZINC000637265535 417054837 /nfs/dbraw/zinc/05/48/37/417054837.db2.gz RIGFWIHJGGBKEK-ZDUSSCGKSA-N 1 3 323.441 0.858 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc[nH]c1=O ZINC000637265535 417054844 /nfs/dbraw/zinc/05/48/44/417054844.db2.gz RIGFWIHJGGBKEK-ZDUSSCGKSA-N 1 3 323.441 0.858 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000642440138 417055082 /nfs/dbraw/zinc/05/50/82/417055082.db2.gz XAODGKQSVVFLOY-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCCN1C ZINC000637264977 417056543 /nfs/dbraw/zinc/05/65/43/417056543.db2.gz NYMUQKUIABRJGP-LSDHHAIUSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000430700097 417060104 /nfs/dbraw/zinc/06/01/04/417060104.db2.gz AJGPMEPBLPNUNN-ZNMIVQPWSA-N 1 3 313.442 0.371 20 0 DCADHO CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000377816036 417068084 /nfs/dbraw/zinc/06/80/84/417068084.db2.gz BMRQZOFRFWJSSE-UONOGXRCSA-N 1 3 305.426 1.019 20 0 DCADHO Cc1cc(NC(=O)C[C@@H]2CNCCO2)n(C2CC[NH+](C)CC2)n1 ZINC000430822424 417068269 /nfs/dbraw/zinc/06/82/69/417068269.db2.gz QGZJSTSHRWSQOZ-CQSZACIVSA-N 1 3 321.425 0.775 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000642724511 417079691 /nfs/dbraw/zinc/07/96/91/417079691.db2.gz RWHYVKSLNUAPQS-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000642732189 417085581 /nfs/dbraw/zinc/08/55/81/417085581.db2.gz VTBIIGUVSPJCNP-ZNMIVQPWSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642808213 417107177 /nfs/dbraw/zinc/10/71/77/417107177.db2.gz MABURRVODBVVKG-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000642905835 417114686 /nfs/dbraw/zinc/11/46/86/417114686.db2.gz VHERMEODYMUPKW-ILXRZTDVSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000642906543 417117589 /nfs/dbraw/zinc/11/75/89/417117589.db2.gz RBSZMZKFCIIVHA-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](O)CC(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524783524 417117920 /nfs/dbraw/zinc/11/79/20/417117920.db2.gz KWINGDYGUDWPBK-AWEZNQCLSA-N 1 3 316.490 0.918 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000642906544 417118094 /nfs/dbraw/zinc/11/80/94/417118094.db2.gz RBSZMZKFCIIVHA-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642910568 417121155 /nfs/dbraw/zinc/12/11/55/417121155.db2.gz JBSMVLLBZHCPCP-UKRRQHHQSA-N 1 3 318.421 0.183 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000642912496 417122503 /nfs/dbraw/zinc/12/25/03/417122503.db2.gz RBHIRNSLXYOVSV-MGPQQGTHSA-N 1 3 308.426 0.069 20 0 DCADHO CCC(CC)[C@@H](CNC(=O)C(=O)NC1CNC1)[NH+]1CCCC1 ZINC000642926327 417126615 /nfs/dbraw/zinc/12/66/15/417126615.db2.gz HVXOKBNNPCBVLT-CQSZACIVSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000637532551 417133076 /nfs/dbraw/zinc/13/30/76/417133076.db2.gz GSQCZVMTYUZPKJ-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCn2nccc21 ZINC000637766019 417175205 /nfs/dbraw/zinc/17/52/05/417175205.db2.gz LUNSMAZFRNIYEP-AWEZNQCLSA-N 1 3 322.457 0.853 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000637799271 417185163 /nfs/dbraw/zinc/18/51/63/417185163.db2.gz LNZMGJJZVNJJBQ-IAGOWNOFSA-N 1 3 318.465 0.904 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC(C[NH3+])CC1 ZINC000637803251 417188667 /nfs/dbraw/zinc/18/86/67/417188667.db2.gz BKTYONDDBJBFEV-UHFFFAOYSA-N 1 3 301.431 0.169 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000637846426 417206141 /nfs/dbraw/zinc/20/61/41/417206141.db2.gz GPAVZIVCPKISDK-GJZGRUSLSA-N 1 3 315.458 0.557 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000637846424 417206845 /nfs/dbraw/zinc/20/68/45/417206845.db2.gz GPAVZIVCPKISDK-CABCVRRESA-N 1 3 315.458 0.557 20 0 DCADHO C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N(C)C1CC1 ZINC000569114405 417217724 /nfs/dbraw/zinc/21/77/24/417217724.db2.gz DENYMADBEQLKDC-NEPJUHHUSA-N 1 3 306.414 0.243 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)CC[C@H]1[NH3+] ZINC000643500335 417227431 /nfs/dbraw/zinc/22/74/31/417227431.db2.gz FPKGUJSEXMUADR-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410429027 417166307 /nfs/dbraw/zinc/16/63/07/417166307.db2.gz BMVBOLRNSNONAG-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000410429027 417166318 /nfs/dbraw/zinc/16/63/18/417166318.db2.gz BMVBOLRNSNONAG-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCOC1CC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414192651 417268425 /nfs/dbraw/zinc/26/84/25/417268425.db2.gz LZLWNYXUGZUHDF-UHFFFAOYSA-N 1 3 311.470 0.940 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN(CC[NH3+])Cc2ccccc2)C1 ZINC000414666190 417292089 /nfs/dbraw/zinc/29/20/89/417292089.db2.gz FXLXRPXXYFYEIW-INIZCTEOSA-N 1 3 304.438 0.645 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433150723 417233970 /nfs/dbraw/zinc/23/39/70/417233970.db2.gz GPRGQJIRMKHDNK-XJKSGUPXSA-N 1 3 308.470 0.789 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[C@H]1[NH3+] ZINC000643552892 417242518 /nfs/dbraw/zinc/24/25/18/417242518.db2.gz VGTZMWAVDPMTNG-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643591602 417249917 /nfs/dbraw/zinc/24/99/17/417249917.db2.gz SPYLSEZTPRXBLT-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO CNCc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000415259459 417350454 /nfs/dbraw/zinc/35/04/54/417350454.db2.gz DVCFQVPSUOPHEF-LBPRGKRZSA-N 1 3 306.410 0.658 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415274035 417351300 /nfs/dbraw/zinc/35/13/00/417351300.db2.gz WHWLMOCOVBJIFP-CQSZACIVSA-N 1 3 318.421 0.679 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638142531 417351416 /nfs/dbraw/zinc/35/14/16/417351416.db2.gz RRRALXHUHITVDK-IRXDYDNUSA-N 1 3 316.449 0.799 20 0 DCADHO C[C@@H]1C[C@@H](CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC[NH2+]1 ZINC000414759022 417301711 /nfs/dbraw/zinc/30/17/11/417301711.db2.gz WAOCXCUULBPELK-QLFBSQMISA-N 1 3 315.483 0.874 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414842855 417304875 /nfs/dbraw/zinc/30/48/75/417304875.db2.gz NCUNQDBQIZGGPV-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000638076478 417316233 /nfs/dbraw/zinc/31/62/33/417316233.db2.gz QFAJLLZRUCJXOT-INIZCTEOSA-N 1 3 304.438 0.181 20 0 DCADHO CN(CCNC(=O)[C@]1(C[NH3+])CCCOC1)Cc1ccccc1 ZINC000638079116 417316396 /nfs/dbraw/zinc/31/63/96/417316396.db2.gz APPMFOQMERNVJX-KRWDZBQOSA-N 1 3 305.422 0.990 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627268664 417320615 /nfs/dbraw/zinc/32/06/15/417320615.db2.gz GRUBNCSCJVHRQG-DLBZAZTESA-N 1 3 321.465 0.918 20 0 DCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000633040657 417333014 /nfs/dbraw/zinc/33/30/14/417333014.db2.gz YVZHBIAWXNSPAT-WCQYABFASA-N 1 3 304.394 0.635 20 0 DCADHO CC[NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638108946 417334163 /nfs/dbraw/zinc/33/41/63/417334163.db2.gz QSDLRFJRSZPXMM-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO Cc1cc(CN)oc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638118466 417339162 /nfs/dbraw/zinc/33/91/62/417339162.db2.gz ZMDLWAMGFWVCFL-CYBMUJFWSA-N 1 3 320.437 0.945 20 0 DCADHO Cc1cc(CN)oc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638118466 417339168 /nfs/dbraw/zinc/33/91/68/417339168.db2.gz ZMDLWAMGFWVCFL-CYBMUJFWSA-N 1 3 320.437 0.945 20 0 DCADHO Cc1cc(CN)oc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638118466 417339173 /nfs/dbraw/zinc/33/91/73/417339173.db2.gz ZMDLWAMGFWVCFL-CYBMUJFWSA-N 1 3 320.437 0.945 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000638237596 417386416 /nfs/dbraw/zinc/38/64/16/417386416.db2.gz KNKYLTBUTMQPDU-HDJSIYSDSA-N 1 3 307.442 0.940 20 0 DCADHO NC[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000570715649 417386752 /nfs/dbraw/zinc/38/67/52/417386752.db2.gz LPPACMGCRHKXBV-HZPDHXFCSA-N 1 3 302.422 0.235 20 0 DCADHO CC1=CCN(CCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000571058739 417417169 /nfs/dbraw/zinc/41/71/69/417417169.db2.gz SYSVHPKLLNQHPN-GFCCVEGCSA-N 1 3 302.369 0.935 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638338204 417426005 /nfs/dbraw/zinc/42/60/05/417426005.db2.gz TZELJNMNTMEKDO-CVEARBPZSA-N 1 3 303.406 0.613 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638338204 417426009 /nfs/dbraw/zinc/42/60/09/417426009.db2.gz TZELJNMNTMEKDO-CVEARBPZSA-N 1 3 303.406 0.613 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528692007 417379864 /nfs/dbraw/zinc/37/98/64/417379864.db2.gz GPBBOTHOJUOVQH-GFCCVEGCSA-N 1 3 306.414 0.851 20 0 DCADHO COCC1(CNC(=O)[C@@]2(COC)CCCCN2)CC[NH2+]CC1 ZINC000638224237 417381239 /nfs/dbraw/zinc/38/12/39/417381239.db2.gz GQVZWUOUYCWOLO-INIZCTEOSA-N 1 3 313.442 0.278 20 0 DCADHO CC1(OCC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CNC1 ZINC000638553589 417489205 /nfs/dbraw/zinc/48/92/05/417489205.db2.gz BNQJHZBQDQVRSR-ZJUUUORDSA-N 1 3 309.332 0.351 20 0 DCADHO CN(C)CCn1cc(C(=O)NCc2ccc(C[NH3+])cc2F)cn1 ZINC000638391676 417441183 /nfs/dbraw/zinc/44/11/83/417441183.db2.gz YECBNMGMLHAKNH-UHFFFAOYSA-N 1 3 319.384 0.973 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000638397856 417443198 /nfs/dbraw/zinc/44/31/98/417443198.db2.gz QSULEDOGPJAWIS-KBPBESRZSA-N 1 3 301.431 0.310 20 0 DCADHO C[C@@H](CCNC(=O)[C@H](N)CN(C)Cc1ccccc1)[NH+](C)C ZINC000638407481 417448126 /nfs/dbraw/zinc/44/81/26/417448126.db2.gz AIIGYMUXPXDTFA-GOEBONIOSA-N 1 3 306.454 0.902 20 0 DCADHO CO[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000638588828 417497187 /nfs/dbraw/zinc/49/71/87/417497187.db2.gz OYPQNLLUVGJXGD-ZMSDIMECSA-N 1 3 311.470 0.796 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000575370455 417529608 /nfs/dbraw/zinc/52/96/08/417529608.db2.gz VJXUUPFJOOSHNU-CYBMUJFWSA-N 1 3 308.430 1.003 20 0 DCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3c(c2)OCCNC3)C1 ZINC000638674347 417531467 /nfs/dbraw/zinc/53/14/67/417531467.db2.gz UKKYCSOJHDZVOQ-CZUORRHYSA-N 1 3 305.378 0.874 20 0 DCADHO CN(C)C[C@H](CO)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634723042 417538010 /nfs/dbraw/zinc/53/80/10/417538010.db2.gz ZEIMOUCGHGVMKP-SJORKVTESA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)C[C@H](CO)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634723042 417538013 /nfs/dbraw/zinc/53/80/13/417538013.db2.gz ZEIMOUCGHGVMKP-SJORKVTESA-N 1 3 307.438 0.136 20 0 DCADHO CN(C)C[C@H](CO)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634723042 417538019 /nfs/dbraw/zinc/53/80/19/417538019.db2.gz ZEIMOUCGHGVMKP-SJORKVTESA-N 1 3 307.438 0.136 20 0 DCADHO N[C@H](CC1CCCCC1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000638754436 417550886 /nfs/dbraw/zinc/55/08/86/417550886.db2.gz ZNZHXIFLLIQLOI-HUUCEWRRSA-N 1 3 320.441 0.726 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000638784504 417556066 /nfs/dbraw/zinc/55/60/66/417556066.db2.gz IKVOKUCQGWYDGM-KBMXLJTQSA-N 1 3 309.454 0.992 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000575043899 417504137 /nfs/dbraw/zinc/50/41/37/417504137.db2.gz YHOIDACIPWCURU-IAGOWNOFSA-N 1 3 319.449 0.938 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)[C@H](N)CN(C)Cc2ccccc2)C[NH2+]1 ZINC000638643073 417523635 /nfs/dbraw/zinc/52/36/35/417523635.db2.gz ZLIIJASHXINJMM-VNQPRFMTSA-N 1 3 304.438 0.702 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)C[C@H](C)O1 ZINC000576148928 417584965 /nfs/dbraw/zinc/58/49/65/417584965.db2.gz BFPISXJBCQXFTD-JYYAWHABSA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000576148928 417584968 /nfs/dbraw/zinc/58/49/68/417584968.db2.gz BFPISXJBCQXFTD-JYYAWHABSA-N 1 3 311.470 0.530 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000576148928 417584974 /nfs/dbraw/zinc/58/49/74/417584974.db2.gz BFPISXJBCQXFTD-JYYAWHABSA-N 1 3 311.470 0.530 20 0 DCADHO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635138525 417588519 /nfs/dbraw/zinc/58/85/19/417588519.db2.gz YPKPFYQOOCUFHF-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CC[C@]1(C(=O)Nc2cc(N3CCNCC3)ccn2)CCC[NH2+]1 ZINC000638984241 417595882 /nfs/dbraw/zinc/59/58/82/417595882.db2.gz LBQWMPPYGJJVPF-MRXNPFEDSA-N 1 3 303.410 0.962 20 0 DCADHO C[C@]1(C(=O)Nc2cc(N3CCNCC3)ccn2)CCC[NH2+]C1 ZINC000638984199 417597173 /nfs/dbraw/zinc/59/71/73/417597173.db2.gz JZFCHSJRWNTKIU-INIZCTEOSA-N 1 3 303.410 0.819 20 0 DCADHO O=C(CNC[C@H]1CCCO1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987692 417600697 /nfs/dbraw/zinc/60/06/97/417600697.db2.gz WLGVDNVAJMTZHW-CQSZACIVSA-N 1 3 319.409 0.198 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000576467840 417612500 /nfs/dbraw/zinc/61/25/00/417612500.db2.gz VHHHBKNEPXNXKZ-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC(C)(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000576467840 417612502 /nfs/dbraw/zinc/61/25/02/417612502.db2.gz VHHHBKNEPXNXKZ-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)N(C)C ZINC000454536923 417567308 /nfs/dbraw/zinc/56/73/08/417567308.db2.gz GWWSXKKUHAWXAJ-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[NH+](C)CC[C@H](NC[C@H](O)CN1CCOCC1)C(C)(C)C ZINC000644569880 417621713 /nfs/dbraw/zinc/62/17/13/417621713.db2.gz KWGRBQWTGTXESD-GJZGRUSLSA-N 1 3 301.475 0.636 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000576626624 417623482 /nfs/dbraw/zinc/62/34/82/417623482.db2.gz BLSRWKCFDIBSLG-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000576626624 417623485 /nfs/dbraw/zinc/62/34/85/417623485.db2.gz BLSRWKCFDIBSLG-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000576816646 417640191 /nfs/dbraw/zinc/64/01/91/417640191.db2.gz ZHEZLTQNODHOKS-SOUVJXGZSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000644672632 417642941 /nfs/dbraw/zinc/64/29/41/417642941.db2.gz KECONJZGKSDOJM-CYBMUJFWSA-N 1 3 305.422 0.854 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000635495942 417680359 /nfs/dbraw/zinc/68/03/59/417680359.db2.gz ALASMDDISWICSV-OAHLLOKOSA-N 1 3 322.453 0.095 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000635495942 417680364 /nfs/dbraw/zinc/68/03/64/417680364.db2.gz ALASMDDISWICSV-OAHLLOKOSA-N 1 3 322.453 0.095 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645208875 417712314 /nfs/dbraw/zinc/71/23/14/417712314.db2.gz NZDDIKTZBJYVEU-ZDUSSCGKSA-N 1 3 313.446 0.088 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645208875 417712316 /nfs/dbraw/zinc/71/23/16/417712316.db2.gz NZDDIKTZBJYVEU-ZDUSSCGKSA-N 1 3 313.446 0.088 20 0 DCADHO O=C1CNC(=O)N1CCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682964 417714466 /nfs/dbraw/zinc/71/44/66/417714466.db2.gz NYJTXWJESPDCIB-UHFFFAOYSA-N 1 3 317.393 0.536 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NCCCCN1CCN(C)CC1 ZINC000580631910 417716408 /nfs/dbraw/zinc/71/64/08/417716408.db2.gz CEZIVGQNVNJISE-OAHLLOKOSA-N 1 3 313.490 0.831 20 0 DCADHO CCCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@H]1CC[N@H+](C)C1 ZINC000645306068 417729025 /nfs/dbraw/zinc/72/90/25/417729025.db2.gz ITORNCISWVWOBD-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CCCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645306068 417729029 /nfs/dbraw/zinc/72/90/29/417729029.db2.gz ITORNCISWVWOBD-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CCCN(C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CCN(C)C1 ZINC000646285501 417826842 /nfs/dbraw/zinc/82/68/42/417826842.db2.gz IZYGZDVUKCPLEJ-AWEZNQCLSA-N 1 3 322.457 1.393 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)c1cccc2c1CNC2 ZINC000662632688 417827333 /nfs/dbraw/zinc/82/73/33/417827333.db2.gz SXEBLNSSFPCFQA-UHFFFAOYSA-N 1 3 304.438 0.903 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000662539843 417798460 /nfs/dbraw/zinc/79/84/60/417798460.db2.gz LROZYIQZXJVUBH-WOPDTQHZSA-N 1 3 303.410 0.842 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000635961462 417816492 /nfs/dbraw/zinc/81/64/92/417816492.db2.gz QTTOBINSBIMTGN-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000635961462 417816497 /nfs/dbraw/zinc/81/64/97/417816497.db2.gz QTTOBINSBIMTGN-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662704640 417862507 /nfs/dbraw/zinc/86/25/07/417862507.db2.gz JKJXZYOIKHYNID-ZDUSSCGKSA-N 1 3 322.453 0.365 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(NC3CC3)CCC2)C1 ZINC000662704640 417862512 /nfs/dbraw/zinc/86/25/12/417862512.db2.gz JKJXZYOIKHYNID-ZDUSSCGKSA-N 1 3 322.453 0.365 20 0 DCADHO CCO[C@@H]1CN(C(=O)NC[C@@H](N)c2ccccc2)C[C@H]1C[NH3+] ZINC000652208842 417864326 /nfs/dbraw/zinc/86/43/26/417864326.db2.gz QZABJJXRXGSCQI-RBSFLKMASA-N 1 3 306.410 0.692 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652238182 417868918 /nfs/dbraw/zinc/86/89/18/417868918.db2.gz WKDIDBSFIZBZSZ-UHFFFAOYSA-N 1 3 311.474 0.394 20 0 DCADHO CN1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)[C@@H](CN)C1 ZINC000652268908 417877175 /nfs/dbraw/zinc/87/71/75/417877175.db2.gz PNHNHRXXAFYZSG-ZDUSSCGKSA-N 1 3 309.389 0.069 20 0 DCADHO [NH3+]CC[C@H]([N-]C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(F)(F)F ZINC000662782505 417902452 /nfs/dbraw/zinc/90/24/52/417902452.db2.gz DUIVTVQQWPVDKW-POYBYMJQSA-N 1 3 307.238 0.924 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@]2(COC)CCC[NH2+]2)C1(C)C ZINC000647042060 417976421 /nfs/dbraw/zinc/97/64/21/417976421.db2.gz JUJRCLATVQVYAQ-KCXAZCMYSA-N 1 3 313.442 0.404 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000647053928 417978453 /nfs/dbraw/zinc/97/84/53/417978453.db2.gz YTMPDVJCBVGJHY-CAOSSQGBSA-N 1 3 300.406 0.628 20 0 DCADHO CCN1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000652446891 417910401 /nfs/dbraw/zinc/91/04/01/417910401.db2.gz DNCZDDOXUFQQCU-OAGGEKHMSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H](Cn1cncn1)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000657934697 417918758 /nfs/dbraw/zinc/91/87/58/417918758.db2.gz FDJMRFKEIRNSFK-CYBMUJFWSA-N 1 3 304.398 0.792 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CN1C1CC1 ZINC000631708836 417924141 /nfs/dbraw/zinc/92/41/41/417924141.db2.gz HFPSFOQPCBKZRD-OCCSQVGLSA-N 1 3 305.426 0.800 20 0 DCADHO N[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000662860161 417930899 /nfs/dbraw/zinc/93/08/99/417930899.db2.gz QUEMUQGFDDKSRT-SJORKVTESA-N 1 3 317.433 0.997 20 0 DCADHO N[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000662860161 417930906 /nfs/dbraw/zinc/93/09/06/417930906.db2.gz QUEMUQGFDDKSRT-SJORKVTESA-N 1 3 317.433 0.997 20 0 DCADHO O=C(CNC1CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662860196 417931043 /nfs/dbraw/zinc/93/10/43/417931043.db2.gz RFCSYJQKYSMNDW-MRXNPFEDSA-N 1 3 303.406 0.621 20 0 DCADHO O=C(CNC1CC1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662860196 417931045 /nfs/dbraw/zinc/93/10/45/417931045.db2.gz RFCSYJQKYSMNDW-MRXNPFEDSA-N 1 3 303.406 0.621 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631771021 417936551 /nfs/dbraw/zinc/93/65/51/417936551.db2.gz QRHOTHWDHXYGQA-SWLSCSKDSA-N 1 3 305.426 0.657 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684437 417944350 /nfs/dbraw/zinc/94/43/50/417944350.db2.gz NPIKMXTVTHCXBU-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000652697412 417948230 /nfs/dbraw/zinc/94/82/30/417948230.db2.gz DPTNDXMFTZVXFH-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652737584 417963124 /nfs/dbraw/zinc/96/31/24/417963124.db2.gz NYVVADQAVZGZJW-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)[C@H](C[NH3+])C1 ZINC000662982946 417972473 /nfs/dbraw/zinc/97/24/73/417972473.db2.gz GUKYPWCDUVFWAU-OCCSQVGLSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H](NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000647549077 418021585 /nfs/dbraw/zinc/02/15/85/418021585.db2.gz HPHHNKSPSYQRDS-AAEUAGOBSA-N 1 3 301.456 0.531 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653107965 418027932 /nfs/dbraw/zinc/02/79/32/418027932.db2.gz DTOBZSDGMJBDRT-GUYCJALGSA-N 1 3 319.405 0.802 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000647594220 418030184 /nfs/dbraw/zinc/03/01/84/418030184.db2.gz RBJFEVPXJBQUOL-MELADBBJSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)CN1CCN(C)CC1 ZINC000653125393 418033915 /nfs/dbraw/zinc/03/39/15/418033915.db2.gz XZCBZFWLJLVMKX-BMFZPTHFSA-N 1 3 308.470 0.517 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653124821 418033983 /nfs/dbraw/zinc/03/39/83/418033983.db2.gz IICAHJORCVLEEA-CVEARBPZSA-N 1 3 308.470 0.661 20 0 DCADHO O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CNCCC1(F)F ZINC000647644814 418037776 /nfs/dbraw/zinc/03/77/76/418037776.db2.gz AGMCZYIOBPSRNY-ZDUSSCGKSA-N 1 3 312.364 0.922 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000663627220 418039259 /nfs/dbraw/zinc/03/92/59/418039259.db2.gz FUFQIFPUVQRYHE-QPSCCSFWSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000663627220 418039261 /nfs/dbraw/zinc/03/92/61/418039261.db2.gz FUFQIFPUVQRYHE-QPSCCSFWSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000663627221 418039646 /nfs/dbraw/zinc/03/96/46/418039646.db2.gz FUFQIFPUVQRYHE-XGUBFFRZSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000663627221 418039649 /nfs/dbraw/zinc/03/96/49/418039649.db2.gz FUFQIFPUVQRYHE-XGUBFFRZSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000663627218 418040066 /nfs/dbraw/zinc/04/00/66/418040066.db2.gz FUFQIFPUVQRYHE-KBXIAJHMSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000663627218 418040068 /nfs/dbraw/zinc/04/00/68/418040068.db2.gz FUFQIFPUVQRYHE-KBXIAJHMSA-N 1 3 312.458 0.423 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648151665 418108265 /nfs/dbraw/zinc/10/82/65/418108265.db2.gz CGTNCMQYXDTPEL-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659513995 418109427 /nfs/dbraw/zinc/10/94/27/418109427.db2.gz NSWCBMCWEGTYFP-ZFWWWQNUSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659526315 418111480 /nfs/dbraw/zinc/11/14/80/418111480.db2.gz NPWQRPGTSRMJJR-XJKSGUPXSA-N 1 3 320.437 0.647 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659546287 418115993 /nfs/dbraw/zinc/11/59/93/418115993.db2.gz AVYJUKRUCOQOLY-CYBMUJFWSA-N 1 3 315.462 0.165 20 0 DCADHO Cc1nccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000663757650 418053689 /nfs/dbraw/zinc/05/36/89/418053689.db2.gz SLMWVWVBZXODQM-ZDUSSCGKSA-N 1 3 322.457 0.856 20 0 DCADHO Cc1nccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000663757650 418053691 /nfs/dbraw/zinc/05/36/91/418053691.db2.gz SLMWVWVBZXODQM-ZDUSSCGKSA-N 1 3 322.457 0.856 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000659089416 418057840 /nfs/dbraw/zinc/05/78/40/418057840.db2.gz ATGRSTPRTIZKPG-UHFFFAOYSA-N 1 3 322.409 0.503 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000659114390 418064347 /nfs/dbraw/zinc/06/43/47/418064347.db2.gz NVEXUYHSJJIEKA-NSHDSACASA-N 1 3 322.409 0.419 20 0 DCADHO CNS(=O)(=O)[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647885844 418069573 /nfs/dbraw/zinc/06/95/73/418069573.db2.gz XHWZDWZVNJWLFT-AWEZNQCLSA-N 1 3 303.472 0.780 20 0 DCADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380933 418137342 /nfs/dbraw/zinc/13/73/42/418137342.db2.gz HGMMSFLCJIEJET-SOUVJXGZSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659680691 418144237 /nfs/dbraw/zinc/14/42/37/418144237.db2.gz JLYKJTKAXXAEID-YFTKNLTDSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CC2CC1(CN)C2)C(C)(C)C[NH+](C)C ZINC000659701256 418152328 /nfs/dbraw/zinc/15/23/28/418152328.db2.gz ZPWRCYDFUHYNHE-OPGSHWCFSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[N@@H+]1C ZINC000648786090 418156948 /nfs/dbraw/zinc/15/69/48/418156948.db2.gz PMSGLVCQMYMFSQ-BZUAXINKSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[N@H+]1C ZINC000648786090 418156951 /nfs/dbraw/zinc/15/69/51/418156951.db2.gz PMSGLVCQMYMFSQ-BZUAXINKSA-N 1 3 308.470 0.565 20 0 DCADHO C[NH+](C)CCOCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654541371 418158249 /nfs/dbraw/zinc/15/82/49/418158249.db2.gz JEUXRWBMPVYFDW-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659717756 418160177 /nfs/dbraw/zinc/16/01/77/418160177.db2.gz KMOVUOUNQBHZTG-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000659720212 418161314 /nfs/dbraw/zinc/16/13/14/418161314.db2.gz QYPGKUWEWODEHG-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000659719114 418161331 /nfs/dbraw/zinc/16/13/31/418161331.db2.gz VAWBLYPGEYQNBC-MELADBBJSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659738974 418170979 /nfs/dbraw/zinc/17/09/79/418170979.db2.gz BWKFEDRCZNYOIQ-HFZWIWRYSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000659739050 418171095 /nfs/dbraw/zinc/17/10/95/418171095.db2.gz MAQMZLNMZVXSHE-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H]1CCN(CCC)C1)[C@H]1CC[NH2+]C1 ZINC000659739629 418172133 /nfs/dbraw/zinc/17/21/33/418172133.db2.gz XYGLXQIUSALPFF-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCC[C@H](C)C1 ZINC000659741301 418172344 /nfs/dbraw/zinc/17/23/44/418172344.db2.gz JEUUMBCPYOCVHN-WIJYIZELSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000659744100 418173003 /nfs/dbraw/zinc/17/30/03/418173003.db2.gz FFNBSCCSSXTNCF-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000654663454 418173303 /nfs/dbraw/zinc/17/33/03/418173303.db2.gz PIFWGLMEKIISPZ-SOUVJXGZSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659743690 418173467 /nfs/dbraw/zinc/17/34/67/418173467.db2.gz ZNTOLUWLCWNXJA-TUBUQKNSSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000654662985 418173741 /nfs/dbraw/zinc/17/37/41/418173741.db2.gz AYNTVXIHCAHVKE-SOUVJXGZSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000659745064 418174008 /nfs/dbraw/zinc/17/40/08/418174008.db2.gz VKGOOICVJKIITE-UONOGXRCSA-N 1 3 312.458 0.417 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000649372771 418247873 /nfs/dbraw/zinc/24/78/73/418247873.db2.gz GVGXLDUKIGFYNU-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665362495 418202110 /nfs/dbraw/zinc/20/21/10/418202110.db2.gz FPBXTWPMJPQBJB-IUODEOHRSA-N 1 3 300.447 0.471 20 0 DCADHO Cn1cc(N2CC[C@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)cn1 ZINC000649418279 418253686 /nfs/dbraw/zinc/25/36/86/418253686.db2.gz VQEGNRSIDAJAIE-GUTXKFCHSA-N 1 3 303.410 0.457 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000665552704 418220186 /nfs/dbraw/zinc/22/01/86/418220186.db2.gz HCEVSVGQDVZWNS-MELADBBJSA-N 1 3 310.442 0.320 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000665552704 418220189 /nfs/dbraw/zinc/22/01/89/418220189.db2.gz HCEVSVGQDVZWNS-MELADBBJSA-N 1 3 310.442 0.320 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC(=O)COC2(C)CNC2)c1 ZINC000649288826 418223844 /nfs/dbraw/zinc/22/38/44/418223844.db2.gz NNOYDJRQMUMSSU-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO CCN1CCN(CCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655689051 418287822 /nfs/dbraw/zinc/28/78/22/418287822.db2.gz UDGGDCDACDKNKM-GOSISDBHSA-N 1 3 324.513 0.857 20 0 DCADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655908018 418299189 /nfs/dbraw/zinc/29/91/89/418299189.db2.gz QULGRASTQOBIGG-JKSUJKDBSA-N 1 3 316.405 0.615 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000655965419 418308387 /nfs/dbraw/zinc/30/83/87/418308387.db2.gz SOMCMHBYVHICKG-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000656021568 418318287 /nfs/dbraw/zinc/31/82/87/418318287.db2.gz BGMVHYOEBSTGNU-VHDGCEQUSA-N 1 3 318.421 0.259 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000660485834 418262928 /nfs/dbraw/zinc/26/29/28/418262928.db2.gz XLXXYZUNJYGEQA-SJORKVTESA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000660485834 418262931 /nfs/dbraw/zinc/26/29/31/418262931.db2.gz XLXXYZUNJYGEQA-SJORKVTESA-N 1 3 313.486 0.732 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000655494300 418268550 /nfs/dbraw/zinc/26/85/50/418268550.db2.gz HQVAXYZUUJCNKG-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000655577380 418278509 /nfs/dbraw/zinc/27/85/09/418278509.db2.gz VFHMQPKFIDKBMW-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000655577380 418278511 /nfs/dbraw/zinc/27/85/11/418278511.db2.gz VFHMQPKFIDKBMW-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656295569 418341225 /nfs/dbraw/zinc/34/12/25/418341225.db2.gz KTYYYXHPAWWZSF-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656304354 418343116 /nfs/dbraw/zinc/34/31/16/418343116.db2.gz XCALIBQXEBFDBV-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656304354 418343118 /nfs/dbraw/zinc/34/31/18/418343118.db2.gz XCALIBQXEBFDBV-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661987460 418374327 /nfs/dbraw/zinc/37/43/27/418374327.db2.gz QVJLTPMYXGPCLD-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661987460 418374329 /nfs/dbraw/zinc/37/43/29/418374329.db2.gz QVJLTPMYXGPCLD-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NC[C@H]1CCCO1 ZINC000662295654 418398624 /nfs/dbraw/zinc/39/86/24/418398624.db2.gz WETGTMYZYCDVGE-JKSUJKDBSA-N 1 3 309.454 0.993 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000662305945 418398852 /nfs/dbraw/zinc/39/88/52/418398852.db2.gz LKWMCOJNXZEZLT-QAETUUGQSA-N 1 3 317.433 0.518 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000662305945 418398854 /nfs/dbraw/zinc/39/88/54/418398854.db2.gz LKWMCOJNXZEZLT-QAETUUGQSA-N 1 3 317.433 0.518 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000662305945 418398856 /nfs/dbraw/zinc/39/88/56/418398856.db2.gz LKWMCOJNXZEZLT-QAETUUGQSA-N 1 3 317.433 0.518 20 0 DCADHO OCCN(CCOCC(F)(F)F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258753 418393597 /nfs/dbraw/zinc/39/35/97/418393597.db2.gz XKFHARLZWGBSKT-LLVKDONJSA-N 1 3 312.332 0.381 20 0 DCADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCN(CC2CCOCC2)CC1 ZINC000662262865 418393669 /nfs/dbraw/zinc/39/36/69/418393669.db2.gz JZMNZAUQHPUAHQ-INIZCTEOSA-N 1 3 309.454 0.552 20 0 DCADHO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cccc2c1CNC2 ZINC000662426644 418409311 /nfs/dbraw/zinc/40/93/11/418409311.db2.gz YDEXTXIDDCSDRE-UHFFFAOYSA-N 1 3 313.365 0.070 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662430406 418409365 /nfs/dbraw/zinc/40/93/65/418409365.db2.gz ZVLUFFLZUMKFNX-ZDUSSCGKSA-N 1 3 308.430 0.621 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662440045 418409742 /nfs/dbraw/zinc/40/97/42/418409742.db2.gz TXBGKYLKNOFYEK-CYBMUJFWSA-N 1 3 306.414 0.369 20 0 DCADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@H](F)[C@H](N)C1)c1ccccc1 ZINC000662321360 418400021 /nfs/dbraw/zinc/40/00/21/418400021.db2.gz BTPVMRNDTXAYQM-OAGGEKHMSA-N 1 3 322.428 0.777 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000460078990 287513458 /nfs/dbraw/zinc/51/34/58/287513458.db2.gz SPLGEXCOJCTESP-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000187234649 261123208 /nfs/dbraw/zinc/12/32/08/261123208.db2.gz PZLSBJGQKHUKEY-HNNXBMFYSA-N 1 3 314.474 0.720 20 0 DCADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCOCCN(C)C ZINC000355331640 261331683 /nfs/dbraw/zinc/33/16/83/261331683.db2.gz AOJNSPKPJASHDY-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000417300247 262249552 /nfs/dbraw/zinc/24/95/52/262249552.db2.gz ACRDMFQMNQHYKQ-AWEZNQCLSA-N 1 3 300.447 0.642 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417299471 262249619 /nfs/dbraw/zinc/24/96/19/262249619.db2.gz RPRKLEYDNQYEFD-CQSZACIVSA-N 1 3 300.447 0.770 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417744010 262260273 /nfs/dbraw/zinc/26/02/73/262260273.db2.gz CIUWGOJGKDCPLS-LSDHHAIUSA-N 1 3 312.458 0.642 20 0 DCADHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417754567 262260505 /nfs/dbraw/zinc/26/05/05/262260505.db2.gz PVORQWPANXVUTM-KKUMJFAQSA-N 1 3 312.458 0.724 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)NCC(C)(C)[NH3+] ZINC000418188211 262271945 /nfs/dbraw/zinc/27/19/45/262271945.db2.gz GAEYVAZKKUXASN-UHFFFAOYSA-N 1 3 309.414 0.559 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000418428817 262278410 /nfs/dbraw/zinc/27/84/10/262278410.db2.gz QZYHYJIAPPLFSU-CABCVRRESA-N 1 3 313.490 0.685 20 0 DCADHO CN(CCCN(C)C(=O)NCC(F)(F)CN)CC[NH+](C)C ZINC000418522687 262281128 /nfs/dbraw/zinc/28/11/28/262281128.db2.gz JMOTVLBXZPQGMR-UHFFFAOYSA-N 1 3 309.405 0.105 20 0 DCADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@H]1CNCCO1 ZINC000418754509 262286719 /nfs/dbraw/zinc/28/67/19/262286719.db2.gz BCGLIBQDZKOSSY-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000418757786 262287436 /nfs/dbraw/zinc/28/74/36/262287436.db2.gz FBCNVQYLNHPXMF-OAHLLOKOSA-N 1 3 306.410 0.535 20 0 DCADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418758655 262287832 /nfs/dbraw/zinc/28/78/32/262287832.db2.gz FPBWOSVLFJUZAG-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418792302 262290092 /nfs/dbraw/zinc/29/00/92/262290092.db2.gz OMPZUMLJVYOLHK-RRFJBIMHSA-N 1 3 312.458 0.506 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418791786 262290344 /nfs/dbraw/zinc/29/03/44/262290344.db2.gz MZOXHIPSSGKCHH-JONQDZQNSA-N 1 3 324.469 0.521 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[NH2+]1 ZINC000418846367 262292637 /nfs/dbraw/zinc/29/26/37/262292637.db2.gz XVHHXHVPPPAXCG-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418925169 262298409 /nfs/dbraw/zinc/29/84/09/262298409.db2.gz QDIJXDDJZMRBFU-WWGRRREGSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418931728 262299689 /nfs/dbraw/zinc/29/96/89/262299689.db2.gz HHEJDOFSGXFNJQ-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419081570 262307900 /nfs/dbraw/zinc/30/79/00/262307900.db2.gz RUVKWDNMEOBZEX-CQSZACIVSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)CN)[NH+]1CCCCCC1 ZINC000419129453 262311374 /nfs/dbraw/zinc/31/13/74/262311374.db2.gz YEKLDVQBHJVDCG-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419126978 262311498 /nfs/dbraw/zinc/31/14/98/262311498.db2.gz YTTFHESJOSXROR-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419170521 262316257 /nfs/dbraw/zinc/31/62/57/262316257.db2.gz NQKYRTZADVOYQT-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCC1 ZINC000419221561 262320499 /nfs/dbraw/zinc/32/04/99/262320499.db2.gz CGSZNSVTWRSZTB-HNNXBMFYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCC1 ZINC000419232729 262322092 /nfs/dbraw/zinc/32/20/92/262322092.db2.gz GBTQSJPDSAFBOP-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)C1CC1 ZINC000419233871 262322098 /nfs/dbraw/zinc/32/20/98/262322098.db2.gz WTUKYGXONNZXOR-GJZGRUSLSA-N 1 3 322.453 0.221 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000419234735 262322146 /nfs/dbraw/zinc/32/21/46/262322146.db2.gz IIKCZEOZELVBBT-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCC1 ZINC000419232752 262322179 /nfs/dbraw/zinc/32/21/79/262322179.db2.gz GEOJUMNDCYGNDC-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000419406752 262330309 /nfs/dbraw/zinc/33/03/09/262330309.db2.gz JCDCSKRRPQZXLP-CQSZACIVSA-N 1 3 322.453 0.261 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000419405873 262330620 /nfs/dbraw/zinc/33/06/20/262330620.db2.gz HZPXUMVZWOBSPU-MRXNPFEDSA-N 1 3 310.442 0.032 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419405034 262330710 /nfs/dbraw/zinc/33/07/10/262330710.db2.gz HASLCOROVKHQIU-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC000419412695 262331890 /nfs/dbraw/zinc/33/18/90/262331890.db2.gz RHQMRLQGGRZRRO-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419416968 262331987 /nfs/dbraw/zinc/33/19/87/262331987.db2.gz HIHAEHINKVVKNF-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419426251 262333390 /nfs/dbraw/zinc/33/33/90/262333390.db2.gz QOFQPVKONJZKMA-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N(C)C1CC1 ZINC000419588569 262339059 /nfs/dbraw/zinc/33/90/59/262339059.db2.gz ONUSFXZUJZJGJP-AYRXBEOTSA-N 1 3 322.453 0.171 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)N(C)C1CC1 ZINC000419587618 262339294 /nfs/dbraw/zinc/33/92/94/262339294.db2.gz NQFSAIXUDYBFKZ-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)N1CCCC[C@H]1CN)C1CCCC1 ZINC000419690500 262345152 /nfs/dbraw/zinc/34/51/52/262345152.db2.gz CMVVHPKFXBHWEP-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1CN)C1CCCC1 ZINC000419690500 262345154 /nfs/dbraw/zinc/34/51/54/262345154.db2.gz CMVVHPKFXBHWEP-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419696895 262346848 /nfs/dbraw/zinc/34/68/48/262346848.db2.gz PPZULNWHKCYHHS-UONOGXRCSA-N 1 3 322.453 0.235 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C1CCCC1 ZINC000419699209 262347361 /nfs/dbraw/zinc/34/73/61/262347361.db2.gz VSBCJIJETJUGFT-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C1CCCC1 ZINC000419699209 262347363 /nfs/dbraw/zinc/34/73/63/262347363.db2.gz VSBCJIJETJUGFT-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419700532 262347538 /nfs/dbraw/zinc/34/75/38/262347538.db2.gz XOSOBLWKJOJIDD-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419968241 262354479 /nfs/dbraw/zinc/35/44/79/262354479.db2.gz PQHSSBXRURVMNO-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419988955 262355540 /nfs/dbraw/zinc/35/55/40/262355540.db2.gz IKJHNTBDDOYTHU-GFCCVEGCSA-N 1 3 310.398 0.023 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420056119 262357536 /nfs/dbraw/zinc/35/75/36/262357536.db2.gz IGZKPCMUILNQMY-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)C1CC1 ZINC000420071889 262358908 /nfs/dbraw/zinc/35/89/08/262358908.db2.gz YHNCDOGMWLOUFD-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420071097 262358998 /nfs/dbraw/zinc/35/89/98/262358998.db2.gz XNEWPIRZDPYJSN-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420071097 262358999 /nfs/dbraw/zinc/35/89/99/262358999.db2.gz XNEWPIRZDPYJSN-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420098531 262360571 /nfs/dbraw/zinc/36/05/71/262360571.db2.gz DMSKTBGWPMANQJ-INIZCTEOSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420107712 262361320 /nfs/dbraw/zinc/36/13/20/262361320.db2.gz TUMIYQRMFZWZGI-XJKSGUPXSA-N 1 3 310.442 0.093 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000420153705 262364099 /nfs/dbraw/zinc/36/40/99/262364099.db2.gz HDVQJIJSDWPFKG-CYBMUJFWSA-N 1 3 300.447 0.147 20 0 DCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000420158389 262364671 /nfs/dbraw/zinc/36/46/71/262364671.db2.gz HGNUWYQKFBJPKQ-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000420157691 262364794 /nfs/dbraw/zinc/36/47/94/262364794.db2.gz GNVQPHOXDIRRNL-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C[NH3+] ZINC000420399848 262373147 /nfs/dbraw/zinc/37/31/47/262373147.db2.gz IHZSUVVKNQCNLS-KBPBESRZSA-N 1 3 308.470 0.646 20 0 DCADHO Cn1ccc(N2CCC[C@@H](N3CCC4(C3)CC[NH2+]CC4)C2=O)n1 ZINC000358495858 271053018 /nfs/dbraw/zinc/05/30/18/271053018.db2.gz HZBJJZBLLXHKSO-CQSZACIVSA-N 1 3 317.437 0.991 20 0 DCADHO CC(C)N1CCCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285194 271241222 /nfs/dbraw/zinc/24/12/22/271241222.db2.gz FEKKAIYVPDCMIP-UHFFFAOYSA-N 1 3 311.474 0.407 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@H]2CCCN2CCCO)CCCCC1 ZINC000418300989 271242498 /nfs/dbraw/zinc/24/24/98/271242498.db2.gz XABRAKYLKLJPDY-CQSZACIVSA-N 1 3 312.458 0.794 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1[NH3+] ZINC000418844632 271258726 /nfs/dbraw/zinc/25/87/26/271258726.db2.gz UJJIUWIWRAULKM-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418948267 271262405 /nfs/dbraw/zinc/26/24/05/271262405.db2.gz QBPXITSEMGYXNF-CYBMUJFWSA-N 1 3 310.442 0.259 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419032808 271269924 /nfs/dbraw/zinc/26/99/24/271269924.db2.gz XGOFAEDLZGLQLX-XQQFMLRXSA-N 1 3 312.458 0.323 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419583216 271311691 /nfs/dbraw/zinc/31/16/91/271311691.db2.gz JVSIYWSEENXFDS-MELADBBJSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419705069 271323488 /nfs/dbraw/zinc/32/34/88/271323488.db2.gz ZENFSXKWHUWPQG-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419902662 271341620 /nfs/dbraw/zinc/34/16/20/271341620.db2.gz FYWQZEVEFBTGMQ-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419937167 271345580 /nfs/dbraw/zinc/34/55/80/271345580.db2.gz MLQZRTKSAKCPHW-BFHYXJOUSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000419946976 271348184 /nfs/dbraw/zinc/34/81/84/271348184.db2.gz BWBXUXGSQMOGCB-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000419946976 271348187 /nfs/dbraw/zinc/34/81/87/271348187.db2.gz BWBXUXGSQMOGCB-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420008611 271350846 /nfs/dbraw/zinc/35/08/46/271350846.db2.gz DHUAEYKKXNMWDP-ZDUSSCGKSA-N 1 3 300.447 0.132 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424133220 271399356 /nfs/dbraw/zinc/39/93/56/271399356.db2.gz JGQCRRAISZZDGF-AWEZNQCLSA-N 1 3 318.425 0.559 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459981601 272022183 /nfs/dbraw/zinc/02/21/83/272022183.db2.gz BQJSUTSVKLLCMA-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459981601 272022186 /nfs/dbraw/zinc/02/21/86/272022186.db2.gz BQJSUTSVKLLCMA-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C(=O)/C=C/CN(C)C)C1CN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492015086 272113373 /nfs/dbraw/zinc/11/33/73/272113373.db2.gz CRCCCUXEZBRGDO-FKJILZIQSA-N 1 3 322.453 0.281 20 0 DCADHO CCN(C(=O)/C=C/C[NH+](C)C)C1CN(C(=O)/C=C\CN(C)C)C1 ZINC000492015086 272113375 /nfs/dbraw/zinc/11/33/75/272113375.db2.gz CRCCCUXEZBRGDO-FKJILZIQSA-N 1 3 322.453 0.281 20 0 DCADHO CC(C)[C@@H](N)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000494656016 272227488 /nfs/dbraw/zinc/22/74/88/272227488.db2.gz SUFRHHRTGXEEEU-HRCADAONSA-N 1 3 310.486 0.987 20 0 DCADHO CN1C[C@H](CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)OC1=O ZINC000497041249 272365027 /nfs/dbraw/zinc/36/50/27/272365027.db2.gz ZRFGCIRBHUMYRP-OAHLLOKOSA-N 1 3 324.469 0.787 20 0 DCADHO CN[C@@H](C)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000514949022 272413352 /nfs/dbraw/zinc/41/33/52/272413352.db2.gz AACKJWIMQPALKR-ZDUSSCGKSA-N 1 3 306.410 0.517 20 0 DCADHO COCCn1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000527137893 272603570 /nfs/dbraw/zinc/60/35/70/272603570.db2.gz RYJVGQVYTFWIMI-UHFFFAOYSA-N 1 3 311.430 0.095 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000339581082 276098538 /nfs/dbraw/zinc/09/85/38/276098538.db2.gz WACGGRGEDOWGBP-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343291430 276114102 /nfs/dbraw/zinc/11/41/02/276114102.db2.gz YYIWHBLMLJKBLW-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N[C@@H](CN)C3CC3)C2)CC1 ZINC000420065746 276888768 /nfs/dbraw/zinc/88/87/68/276888768.db2.gz QCCAFAWNBCUPMD-CABCVRRESA-N 1 3 322.453 0.030 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2nccnc2c1 ZINC000545448536 288000459 /nfs/dbraw/zinc/00/04/59/288000459.db2.gz ROFPEWUHDDMVRR-UHFFFAOYSA-N 1 3 316.409 0.590 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547297688 288036462 /nfs/dbraw/zinc/03/64/62/288036462.db2.gz NZWNHFUVJOTHMG-GDBMZVCRSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000547297688 288036464 /nfs/dbraw/zinc/03/64/64/288036464.db2.gz NZWNHFUVJOTHMG-GDBMZVCRSA-N 1 3 312.458 0.473 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339583419 279105142 /nfs/dbraw/zinc/10/51/42/279105142.db2.gz XTOMBULMIHFWBS-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000339583419 279105143 /nfs/dbraw/zinc/10/51/43/279105143.db2.gz XTOMBULMIHFWBS-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N(C)C1CC1 ZINC000342057808 279326285 /nfs/dbraw/zinc/32/62/85/279326285.db2.gz GDIXZYZEHRGNJN-VNHYZAJKSA-N 1 3 324.469 0.574 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261842708 279358263 /nfs/dbraw/zinc/35/82/63/279358263.db2.gz OBARAXKPLQSSLS-HOTGVXAUSA-N 1 3 310.486 0.766 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263115940 280273819 /nfs/dbraw/zinc/27/38/19/280273819.db2.gz FTMWNYXNFPGQGG-ZFWWWQNUSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCC([NH+]2CCC(C(=O)NCCN(C)C)CC2)CC1 ZINC000553190110 288289905 /nfs/dbraw/zinc/28/99/05/288289905.db2.gz AZEABMLPTRWUHH-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561526920 288546407 /nfs/dbraw/zinc/54/64/07/288546407.db2.gz CJTUMLURHNDJTE-BWAOXVRWSA-N 1 3 308.426 0.970 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@H](C)N)[C@H]1CC12CC[NH2+]CC2 ZINC000564084986 288724981 /nfs/dbraw/zinc/72/49/81/288724981.db2.gz OSWLQBBSMMTWLS-STQMWFEESA-N 1 3 305.426 0.721 20 0 DCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)CNC[C@H]3CCCO3)cc2C1 ZINC000564442945 288743700 /nfs/dbraw/zinc/74/37/00/288743700.db2.gz KMSVDDCVKLSQHQ-TZMCWYRMSA-N 1 3 304.394 0.605 20 0 DCADHO NC(=O)[C@@H]1CCCN1C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000131456046 295109516 /nfs/dbraw/zinc/10/95/16/295109516.db2.gz HOJDWZULIZRZSB-INIZCTEOSA-N 1 3 308.470 0.886 20 0 DCADHO NC1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000269312345 295202700 /nfs/dbraw/zinc/20/27/00/295202700.db2.gz XLNGPDXCDKXHHC-UHFFFAOYSA-N 1 3 303.410 0.201 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@@H](C)O1 ZINC000414207240 297283585 /nfs/dbraw/zinc/28/35/85/297283585.db2.gz ZJKRIVLBHCZEJX-BZUAXINKSA-N 1 3 311.470 0.939 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@@H](C)O1 ZINC000414207243 297440825 /nfs/dbraw/zinc/44/08/25/297440825.db2.gz ZJKRIVLBHCZEJX-OAGGEKHMSA-N 1 3 311.470 0.939 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001650341100 1173579194 /nfs/dbraw/zinc/57/91/94/1173579194.db2.gz JWVRWQFREDXENM-HNNXBMFYSA-N 1 3 308.470 0.686 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)nn1 ZINC000583379498 332375061 /nfs/dbraw/zinc/37/50/61/332375061.db2.gz YUDKDRDNWVSXEC-LBPRGKRZSA-N 1 3 306.414 0.374 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000570271908 332733994 /nfs/dbraw/zinc/73/39/94/332733994.db2.gz PEMZTZAJJVBKBN-OLZOCXBDSA-N 1 3 308.426 0.829 20 0 DCADHO N[C@@H]1C[C@H]2CN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000580213710 333013387 /nfs/dbraw/zinc/01/33/87/333013387.db2.gz CXTKMGNKUCLUHI-RRFJBIMHSA-N 1 3 316.405 0.237 20 0 DCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000582119471 333294586 /nfs/dbraw/zinc/29/45/86/333294586.db2.gz VYPCXQGHKHVECJ-YDHLFZDLSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CN(C[C@H]2CCCN2CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580332756 333329458 /nfs/dbraw/zinc/32/94/58/333329458.db2.gz CARFKPNWQZRQNN-IXDOHACOSA-N 1 3 310.486 0.465 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@H]2c2ccncc2)C1 ZINC000584350928 336060848 /nfs/dbraw/zinc/06/08/48/336060848.db2.gz IUMQTAVZNZLERW-HOCLYGCPSA-N 1 3 317.437 0.225 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@@H]2COC[C@H]2OC)CC[NH2+]CC1 ZINC000582726898 337126099 /nfs/dbraw/zinc/12/60/99/337126099.db2.gz ONBJNKGZMDLHQH-YNEHKIRRSA-N 1 3 300.399 0.311 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000583263585 337292950 /nfs/dbraw/zinc/29/29/50/337292950.db2.gz KVRQSQDEFUIUCP-MELADBBJSA-N 1 3 312.458 0.465 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000584467716 337347353 /nfs/dbraw/zinc/34/73/53/337347353.db2.gz CKNMBPLYUWIEME-GOEBONIOSA-N 1 3 303.406 0.710 20 0 DCADHO [NH3+]CC1(CC(=O)Nc2nc(N3CCNCC3)n[nH]2)CCCCC1 ZINC000584528539 337356323 /nfs/dbraw/zinc/35/63/23/337356323.db2.gz AHEPFFXVJDHDEX-UHFFFAOYSA-N 1 3 321.429 0.452 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CNC2CC2)CC1 ZINC000580560595 341876889 /nfs/dbraw/zinc/87/68/89/341876889.db2.gz NVOYUTHZEWVLSD-GJZGRUSLSA-N 1 3 308.470 0.755 20 0 DCADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1 ZINC000577046311 341880455 /nfs/dbraw/zinc/88/04/55/341880455.db2.gz OPFNZOFPQQULGA-UHFFFAOYSA-N 1 3 318.421 0.632 20 0 DCADHO C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCCC1 ZINC000577510329 341914331 /nfs/dbraw/zinc/91/43/31/341914331.db2.gz IZUWNPSSFFOLAS-CHWSQXEVSA-N 1 3 306.414 0.244 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCC(C)CC1)[C@H](C)C(N)=O ZINC001566570754 1160067939 /nfs/dbraw/zinc/06/79/39/1160067939.db2.gz QFYSJSGFVJBELZ-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCC(C)CC1)[C@H](C)C(N)=O ZINC001566570754 1160067945 /nfs/dbraw/zinc/06/79/45/1160067945.db2.gz QFYSJSGFVJBELZ-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[NH2+]CC3CC3)C2)CC1 ZINC000364852454 519683335 /nfs/dbraw/zinc/68/33/35/519683335.db2.gz VBJCXGCXCKZPJV-INIZCTEOSA-N 1 3 308.470 0.613 20 0 DCADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCN(C)CCOC)C1(C)C ZINC000157208931 520394553 /nfs/dbraw/zinc/39/45/53/520394553.db2.gz KZPTWZXZVHLLCI-IUODEOHRSA-N 1 3 301.431 0.213 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000332561840 528976296 /nfs/dbraw/zinc/97/62/96/528976296.db2.gz QXALNSNAPUNHFU-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000342978318 546124236 /nfs/dbraw/zinc/12/42/36/546124236.db2.gz ADTRVSQZDCQAEA-AWEZNQCLSA-N 1 3 314.474 0.632 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CCNCC1)[NH+]1CCC(C)CC1 ZINC000638064245 546334686 /nfs/dbraw/zinc/33/46/86/546334686.db2.gz KOVMAJPJUYIXRV-MRXNPFEDSA-N 1 3 310.486 0.764 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000638065838 546336114 /nfs/dbraw/zinc/33/61/14/546336114.db2.gz BOUBYDLWVGWFPC-MRXNPFEDSA-N 1 3 306.454 0.904 20 0 DCADHO CN(C)[C@]1(CNC(=O)[C@@]2(C[NH3+])CCCOC2)CCSC1 ZINC000638069711 546336822 /nfs/dbraw/zinc/33/68/22/546336822.db2.gz SLYOKPUCSKRABM-KGLIPLIRSA-N 1 3 301.456 0.295 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CCC1 ZINC000665760278 546394786 /nfs/dbraw/zinc/39/47/86/546394786.db2.gz DYTNBNXXHFXTHG-AWEZNQCLSA-N 1 3 314.474 0.720 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CCC1 ZINC000665760278 546394789 /nfs/dbraw/zinc/39/47/89/546394789.db2.gz DYTNBNXXHFXTHG-AWEZNQCLSA-N 1 3 314.474 0.720 20 0 DCADHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(N)=O ZINC000665760255 546395666 /nfs/dbraw/zinc/39/56/66/546395666.db2.gz DJWCNDQQCFQACM-STQMWFEESA-N 1 3 315.462 0.068 20 0 DCADHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(N)=O ZINC000665760255 546395671 /nfs/dbraw/zinc/39/56/71/546395671.db2.gz DJWCNDQQCFQACM-STQMWFEESA-N 1 3 315.462 0.068 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]1(C)CO ZINC000665761891 546397055 /nfs/dbraw/zinc/39/70/55/546397055.db2.gz SYLNLLGQBOTULJ-HOCLYGCPSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]1(C)CO ZINC000665761891 546397058 /nfs/dbraw/zinc/39/70/58/546397058.db2.gz SYLNLLGQBOTULJ-HOCLYGCPSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000665761883 546397166 /nfs/dbraw/zinc/39/71/66/546397166.db2.gz SQINWIHRCWLGBV-MJBXVCDLSA-N 1 3 314.474 0.717 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000665761883 546397170 /nfs/dbraw/zinc/39/71/70/546397170.db2.gz SQINWIHRCWLGBV-MJBXVCDLSA-N 1 3 314.474 0.717 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000666919722 546527286 /nfs/dbraw/zinc/52/72/86/546527286.db2.gz CJKLPTAPFHBTAK-GDBMZVCRSA-N 1 3 324.469 0.711 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000666919722 546527290 /nfs/dbraw/zinc/52/72/90/546527290.db2.gz CJKLPTAPFHBTAK-GDBMZVCRSA-N 1 3 324.469 0.711 20 0 DCADHO CCN(C(=O)C(=O)NCC[NH+](CC)CC)[C@@H]1CCN(CC)C1 ZINC000668328081 546729752 /nfs/dbraw/zinc/72/97/52/546729752.db2.gz MXRZAUKKAVSHBE-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000668359963 546741312 /nfs/dbraw/zinc/74/13/12/546741312.db2.gz LZLBUQOCGYSEPT-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCN(CC)C1 ZINC000668794083 546847228 /nfs/dbraw/zinc/84/72/28/546847228.db2.gz AKPTURWEZKGALZ-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCN(C)Cc2ccccc2)CCO1 ZINC000669406215 546967387 /nfs/dbraw/zinc/96/73/87/546967387.db2.gz UUHUDNSFBRQUEW-ZBFHGGJFSA-N 1 3 320.437 0.876 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CCSC1 ZINC000669514905 546983867 /nfs/dbraw/zinc/98/38/67/546983867.db2.gz REWBVADWCLRLCB-GXTWGEPZSA-N 1 3 300.472 0.865 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672015022 547313797 /nfs/dbraw/zinc/31/37/97/547313797.db2.gz QKLXTGTWSBMNRE-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672309358 547349161 /nfs/dbraw/zinc/34/91/61/547349161.db2.gz KMUDZKWHQYHXDD-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1COCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673158102 547452894 /nfs/dbraw/zinc/45/28/94/547452894.db2.gz OMLCBTVJGLQPSJ-CABCVRRESA-N 1 3 314.474 0.794 20 0 DCADHO C[C@@H]1C[N@H+](CCn2ccccc2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000677904946 547918538 /nfs/dbraw/zinc/91/85/38/547918538.db2.gz AYNZPOWCOMCLKN-SJORKVTESA-N 1 3 318.465 0.806 20 0 DCADHO C[C@@H]1C[N@@H+](CCn2ccccc2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000677904946 547918540 /nfs/dbraw/zinc/91/85/40/547918540.db2.gz AYNZPOWCOMCLKN-SJORKVTESA-N 1 3 318.465 0.806 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](N[C@@H]3CCCS(=O)(=O)C3)C2)CC1 ZINC000678770242 548003037 /nfs/dbraw/zinc/00/30/37/548003037.db2.gz FADNXZJCKXEWEH-ZIAGYGMSSA-N 1 3 315.483 0.322 20 0 DCADHO CN(C)C1CN(c2ncc(C3CC3)c(N3CC([NH+](C)C)C3)n2)C1 ZINC000680375475 548134732 /nfs/dbraw/zinc/13/47/32/548134732.db2.gz XECMBAOHRCZKMY-UHFFFAOYSA-N 1 3 316.453 0.854 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCn2cncn2)C1)N(C)C ZINC001027580063 660470810 /nfs/dbraw/zinc/47/08/10/660470810.db2.gz TWXBJIYSZKUTEK-CABCVRRESA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cncn2)C1)N(C)C ZINC001027580063 660470811 /nfs/dbraw/zinc/47/08/11/660470811.db2.gz TWXBJIYSZKUTEK-CABCVRRESA-N 1 3 322.457 0.541 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCO)C[C@H]2C1 ZINC000980233646 660897923 /nfs/dbraw/zinc/89/79/23/660897923.db2.gz UPDZLASTXIMSEI-RBSFLKMASA-N 1 3 320.437 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCO)C[C@H]2C1 ZINC000980233646 660897925 /nfs/dbraw/zinc/89/79/25/660897925.db2.gz UPDZLASTXIMSEI-RBSFLKMASA-N 1 3 320.437 0.860 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980390518 660926568 /nfs/dbraw/zinc/92/65/68/660926568.db2.gz IOYBBYSAKFEQLM-HUUCEWRRSA-N 1 3 305.426 0.368 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980390518 660926569 /nfs/dbraw/zinc/92/65/69/660926569.db2.gz IOYBBYSAKFEQLM-HUUCEWRRSA-N 1 3 305.426 0.368 20 0 DCADHO O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC2(C1)CCCN(CCO)C2 ZINC000981767092 661213418 /nfs/dbraw/zinc/21/34/18/661213418.db2.gz HUVCXJODXXTJPY-JKSUJKDBSA-N 1 3 321.465 0.778 20 0 DCADHO O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC2(C1)CCCN(CCO)C2 ZINC000981767092 661213420 /nfs/dbraw/zinc/21/34/20/661213420.db2.gz HUVCXJODXXTJPY-JKSUJKDBSA-N 1 3 321.465 0.778 20 0 DCADHO COCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812141 661222774 /nfs/dbraw/zinc/22/27/74/661222774.db2.gz HHSRQXZNGUPOAJ-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812141 661222776 /nfs/dbraw/zinc/22/27/76/661222776.db2.gz HHSRQXZNGUPOAJ-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(N)ccn1 ZINC000891537121 657464506 /nfs/dbraw/zinc/46/45/06/657464506.db2.gz JAFJHNQHPJUVFW-CQSZACIVSA-N 1 3 307.398 0.574 20 0 DCADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(N)ccn1 ZINC000891537121 657464510 /nfs/dbraw/zinc/46/45/10/657464510.db2.gz JAFJHNQHPJUVFW-CQSZACIVSA-N 1 3 307.398 0.574 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1CCN(C2CC2)C1 ZINC000891560472 657485314 /nfs/dbraw/zinc/48/53/14/657485314.db2.gz OQEMBGZNWCWIKL-GHMZBOCLSA-N 1 3 302.369 0.767 20 0 DCADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084547 657485792 /nfs/dbraw/zinc/48/57/92/657485792.db2.gz RROUAJDKYOBKDJ-FPMFFAJLSA-N 1 3 306.410 0.926 20 0 DCADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084547 657485796 /nfs/dbraw/zinc/48/57/96/657485796.db2.gz RROUAJDKYOBKDJ-FPMFFAJLSA-N 1 3 306.410 0.926 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000891575547 657492580 /nfs/dbraw/zinc/49/25/80/657492580.db2.gz HHCYCUJHMKYBFX-KBPBESRZSA-N 1 3 312.458 0.785 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1)C1CC1 ZINC000971679872 657556305 /nfs/dbraw/zinc/55/63/05/657556305.db2.gz WHHSMVXCLQHATA-HOTGVXAUSA-N 1 3 319.453 0.756 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1)C1CC1 ZINC000971679872 657556307 /nfs/dbraw/zinc/55/63/07/657556307.db2.gz WHHSMVXCLQHATA-HOTGVXAUSA-N 1 3 319.453 0.756 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2CN(C[C@@H](C)O)C2)CC1 ZINC000970669941 657765396 /nfs/dbraw/zinc/76/53/96/657765396.db2.gz GRVSLDYCBFYQLX-ZIAGYGMSSA-N 1 3 311.470 0.924 20 0 DCADHO C[C@@H](C(N)=O)N(C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971870430 657934673 /nfs/dbraw/zinc/93/46/73/657934673.db2.gz QLPWFGQHZLPOFY-AAEUAGOBSA-N 1 3 315.377 0.354 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000969595044 658012185 /nfs/dbraw/zinc/01/21/85/658012185.db2.gz MRDKTRYNZJTHBR-MGPQQGTHSA-N 1 3 318.425 0.050 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCOC3)C2)C1 ZINC001020589118 658160878 /nfs/dbraw/zinc/16/08/78/658160878.db2.gz XJQGMLUTYIUQIZ-KLHDSHLOSA-N 1 3 309.454 0.992 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586624 658162998 /nfs/dbraw/zinc/16/29/98/658162998.db2.gz UCEQFSRNEASRDC-MGPQQGTHSA-N 1 3 320.441 0.519 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CCCO)CC[C@H]21 ZINC001021679856 658212893 /nfs/dbraw/zinc/21/28/93/658212893.db2.gz SSYBAMGDDJWYAW-DZGCQCFKSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CCCO)CC[C@H]21 ZINC001021679856 658212897 /nfs/dbraw/zinc/21/28/97/658212897.db2.gz SSYBAMGDDJWYAW-DZGCQCFKSA-N 1 3 306.410 0.648 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC001011329010 658262762 /nfs/dbraw/zinc/26/27/62/658262762.db2.gz LYCFCABAUUXCGO-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000969988857 658323746 /nfs/dbraw/zinc/32/37/46/658323746.db2.gz GOLRSMDYBNXNBV-CABCVRRESA-N 1 3 320.437 0.416 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022710803 658348655 /nfs/dbraw/zinc/34/86/55/658348655.db2.gz NTUOBPSSCGYTKU-FOCJUVANSA-N 1 3 315.433 0.817 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972732662 658360170 /nfs/dbraw/zinc/36/01/70/658360170.db2.gz LMWKEUAOCRNTQQ-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972732662 658360176 /nfs/dbraw/zinc/36/01/76/658360176.db2.gz LMWKEUAOCRNTQQ-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020675674 658361878 /nfs/dbraw/zinc/36/18/78/658361878.db2.gz APTFNTNMPZQQRX-AAVRWANBSA-N 1 3 310.442 0.360 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@@H]1C[NH3+] ZINC000926388880 658392641 /nfs/dbraw/zinc/39/26/41/658392641.db2.gz BFVDCNXUMCOPJE-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO CCOC1CC(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000970103953 658469788 /nfs/dbraw/zinc/46/97/88/658469788.db2.gz VXOUAXFNXCIRFQ-JVWICGRDSA-N 1 3 306.410 0.958 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC001024267104 658546254 /nfs/dbraw/zinc/54/62/54/658546254.db2.gz XPANYLGGOOTIJH-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001024263227 658547428 /nfs/dbraw/zinc/54/74/28/658547428.db2.gz BGBQCDFBVGYLCE-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024263227 658547433 /nfs/dbraw/zinc/54/74/33/658547433.db2.gz BGBQCDFBVGYLCE-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCn3cccn3)C2)C1 ZINC000972335678 658583064 /nfs/dbraw/zinc/58/30/64/658583064.db2.gz RSDVGMSHTWDQHD-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCn3cccn3)C2)C1 ZINC000972335678 658583068 /nfs/dbraw/zinc/58/30/68/658583068.db2.gz RSDVGMSHTWDQHD-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020929158 658591586 /nfs/dbraw/zinc/59/15/86/658591586.db2.gz UYLDRKBMQKSXJP-KKUMJFAQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020929158 658591594 /nfs/dbraw/zinc/59/15/94/658591594.db2.gz UYLDRKBMQKSXJP-KKUMJFAQSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H](N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1cnccn1 ZINC001020934316 658598293 /nfs/dbraw/zinc/59/82/93/658598293.db2.gz QTEIBYDXLOMGQB-IHRRRGAJSA-N 1 3 315.421 0.870 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022808643 658601829 /nfs/dbraw/zinc/60/18/29/658601829.db2.gz YPSRNOSOOBAKLO-BARDWOONSA-N 1 3 322.453 0.375 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n[nH]1 ZINC000999191347 665596442 /nfs/dbraw/zinc/59/64/42/665596442.db2.gz XOYDTKAQGBPIMU-MRVWCRGKSA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n[nH]1 ZINC000999191347 665596444 /nfs/dbraw/zinc/59/64/44/665596444.db2.gz XOYDTKAQGBPIMU-MRVWCRGKSA-N 1 3 320.441 0.534 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001024901642 658823777 /nfs/dbraw/zinc/82/37/77/658823777.db2.gz ZJXUWKMMHJEHMT-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001039165858 658901660 /nfs/dbraw/zinc/90/16/60/658901660.db2.gz TXIZMHHUQRCEIN-RDJZCZTQSA-N 1 3 323.481 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001039165858 658901662 /nfs/dbraw/zinc/90/16/62/658901662.db2.gz TXIZMHHUQRCEIN-RDJZCZTQSA-N 1 3 323.481 0.881 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001023025000 658920056 /nfs/dbraw/zinc/92/00/56/658920056.db2.gz QHJQHYMUFXSAMI-MCIONIFRSA-N 1 3 306.410 0.924 20 0 DCADHO Cn1nncc1CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999372701 665635039 /nfs/dbraw/zinc/63/50/39/665635039.db2.gz OZHGQYIQYSPZPM-DZGCQCFKSA-N 1 3 320.441 0.236 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)C1CCC1 ZINC000999363408 665637102 /nfs/dbraw/zinc/63/71/02/665637102.db2.gz HGWOLHKYWIQJMN-CQSZACIVSA-N 1 3 320.441 0.343 20 0 DCADHO CCn1ccnc1CNC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027215350 659085549 /nfs/dbraw/zinc/08/55/49/659085549.db2.gz HELQHGLIHJKCQV-CABCVRRESA-N 1 3 319.453 0.793 20 0 DCADHO CCn1ccnc1CNC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027215350 659085554 /nfs/dbraw/zinc/08/55/54/659085554.db2.gz HELQHGLIHJKCQV-CABCVRRESA-N 1 3 319.453 0.793 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001027215987 659087717 /nfs/dbraw/zinc/08/77/17/659087717.db2.gz PUQXSPGKQZJXRU-CHWSQXEVSA-N 1 3 306.414 0.003 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001027215987 659087723 /nfs/dbraw/zinc/08/77/23/659087723.db2.gz PUQXSPGKQZJXRU-CHWSQXEVSA-N 1 3 306.414 0.003 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001027217383 659089459 /nfs/dbraw/zinc/08/94/59/659089459.db2.gz JOULXEYFRUWNJG-LBPRGKRZSA-N 1 3 309.439 0.572 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217041 659089828 /nfs/dbraw/zinc/08/98/28/659089828.db2.gz FFRGWHDLDNVBSV-OAHLLOKOSA-N 1 3 317.437 0.819 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000999597455 665662982 /nfs/dbraw/zinc/66/29/82/665662982.db2.gz PIRDLOLESCKQCQ-CHWSQXEVSA-N 1 3 308.426 0.069 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892792640 659456690 /nfs/dbraw/zinc/45/66/90/659456690.db2.gz QCSFLXOULYSGFA-HOTGVXAUSA-N 1 3 318.421 0.067 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892792641 659456970 /nfs/dbraw/zinc/45/69/70/659456970.db2.gz QCSFLXOULYSGFA-HZPDHXFCSA-N 1 3 318.421 0.067 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026727328 659482091 /nfs/dbraw/zinc/48/20/91/659482091.db2.gz NBUPHIAIKLIOMC-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)ncn1 ZINC001026734840 659492663 /nfs/dbraw/zinc/49/26/63/659492663.db2.gz UTYZVJMQPUWTMB-GDBMZVCRSA-N 1 3 317.437 0.817 20 0 DCADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892944730 659538785 /nfs/dbraw/zinc/53/87/85/659538785.db2.gz UUWXSIMJNTYBFT-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892944730 659538789 /nfs/dbraw/zinc/53/87/89/659538789.db2.gz UUWXSIMJNTYBFT-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001025778784 659554343 /nfs/dbraw/zinc/55/43/43/659554343.db2.gz BZEIYPRNWRKHRE-ARKGTOAJSA-N 1 3 309.454 0.941 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001025778784 659554347 /nfs/dbraw/zinc/55/43/47/659554347.db2.gz BZEIYPRNWRKHRE-ARKGTOAJSA-N 1 3 309.454 0.941 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799099 659566087 /nfs/dbraw/zinc/56/60/87/659566087.db2.gz VXYMUYIEDGIDAN-AALSBFMBSA-N 1 3 307.438 0.552 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001025799099 659566091 /nfs/dbraw/zinc/56/60/91/659566091.db2.gz VXYMUYIEDGIDAN-AALSBFMBSA-N 1 3 307.438 0.552 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]21 ZINC001025809043 659568221 /nfs/dbraw/zinc/56/82/21/659568221.db2.gz RJEXBMPGCBQAMM-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]21 ZINC001025809043 659568224 /nfs/dbraw/zinc/56/82/24/659568224.db2.gz RJEXBMPGCBQAMM-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO COCCN1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974579894 659583939 /nfs/dbraw/zinc/58/39/39/659583939.db2.gz WJJBCMRWRULQBU-GJZGRUSLSA-N 1 3 309.454 0.801 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001019775073 659613163 /nfs/dbraw/zinc/61/31/63/659613163.db2.gz VOWTZHBJBROZSH-KBPBESRZSA-N 1 3 318.425 0.052 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001019774718 659613168 /nfs/dbraw/zinc/61/31/68/659613168.db2.gz FQGUEAPCMPPLOH-INIZCTEOSA-N 1 3 319.453 0.786 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1)C1CC1 ZINC001026887927 659627699 /nfs/dbraw/zinc/62/76/99/659627699.db2.gz YGTGGCLOGAUXAU-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498954 659629653 /nfs/dbraw/zinc/62/96/53/659629653.db2.gz ROIXKSYBICKKRI-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498954 659629655 /nfs/dbraw/zinc/62/96/55/659629655.db2.gz ROIXKSYBICKKRI-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498952 659629699 /nfs/dbraw/zinc/62/96/99/659629699.db2.gz ROIXKSYBICKKRI-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498952 659629701 /nfs/dbraw/zinc/62/97/01/659629701.db2.gz ROIXKSYBICKKRI-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CCC[C@@H]3C)C2)CC[N@@H+]1C ZINC000999850708 665692004 /nfs/dbraw/zinc/69/20/04/665692004.db2.gz ZJRDULNUIVVPEC-GZBFAFLISA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CCC[C@@H]3C)C2)CC[N@H+]1C ZINC000999850708 665692005 /nfs/dbraw/zinc/69/20/05/665692005.db2.gz ZJRDULNUIVVPEC-GZBFAFLISA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001027042703 659728706 /nfs/dbraw/zinc/72/87/06/659728706.db2.gz LUNBWVPQWNNSCZ-GOEBONIOSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](CNCc2nccn2C)C1)[NH+](C)C ZINC001027042360 659728958 /nfs/dbraw/zinc/72/89/58/659728958.db2.gz CGKPYUHLUMKSOI-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO CO[C@H](C)CN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977473231 659729033 /nfs/dbraw/zinc/72/90/33/659729033.db2.gz IRKDDRVJVQSGQO-KGLIPLIRSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001027069014 659755791 /nfs/dbraw/zinc/75/57/91/659755791.db2.gz JEMHITIOSLPANP-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001027063415 659759435 /nfs/dbraw/zinc/75/94/35/659759435.db2.gz KXYOEZIWVBVJFL-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3cn(C)nn3)C2)C1 ZINC001027064694 659762743 /nfs/dbraw/zinc/76/27/43/659762743.db2.gz JCIWRWBXDCQZTM-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3cn(C)nn3)C2)C1 ZINC001027064694 659762747 /nfs/dbraw/zinc/76/27/47/659762747.db2.gz JCIWRWBXDCQZTM-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1)N(C)C ZINC001027070140 659783724 /nfs/dbraw/zinc/78/37/24/659783724.db2.gz KEXIFSIWBADCST-YPMHNXCESA-N 1 3 311.455 0.816 20 0 DCADHO CN1CCC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091088 659797122 /nfs/dbraw/zinc/79/71/22/659797122.db2.gz CZJPXAJRLVDFCR-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031875205 665720607 /nfs/dbraw/zinc/72/06/07/665720607.db2.gz JUUVHDDGVNGAMC-CQSZACIVSA-N 1 3 319.449 0.833 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001000188993 665768674 /nfs/dbraw/zinc/76/86/74/665768674.db2.gz BWSZRCGMDCIQAN-LSDHHAIUSA-N 1 3 320.441 0.343 20 0 DCADHO C[C@@H](O)CN1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983027727 661742978 /nfs/dbraw/zinc/74/29/78/661742978.db2.gz VMPUFTSRTVPCDO-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261999826 661952024 /nfs/dbraw/zinc/95/20/24/661952024.db2.gz NIFMVDFVWLTNBR-VHSXEESVSA-N 1 3 310.364 0.312 20 0 DCADHO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000983715694 662011825 /nfs/dbraw/zinc/01/18/25/662011825.db2.gz IRWJTSFZYOHGCF-KLHDSHLOSA-N 1 3 307.438 0.744 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000378745 665832182 /nfs/dbraw/zinc/83/21/82/665832182.db2.gz PFCCSHFZUNNSIF-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000378745 665832186 /nfs/dbraw/zinc/83/21/86/665832186.db2.gz PFCCSHFZUNNSIF-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000895850779 662222359 /nfs/dbraw/zinc/22/23/59/662222359.db2.gz KUVLCBJFYIQYJB-IMJJTQAJSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000895850779 662222361 /nfs/dbraw/zinc/22/23/61/662222361.db2.gz KUVLCBJFYIQYJB-IMJJTQAJSA-N 1 3 322.453 0.585 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896565419 662291765 /nfs/dbraw/zinc/29/17/65/662291765.db2.gz UWAAYSNIFBTHOT-UKRRQHHQSA-N 1 3 307.442 0.722 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896565419 662291767 /nfs/dbraw/zinc/29/17/67/662291767.db2.gz UWAAYSNIFBTHOT-UKRRQHHQSA-N 1 3 307.442 0.722 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1 ZINC000985332263 662411627 /nfs/dbraw/zinc/41/16/27/662411627.db2.gz KWQNJSJNXCGLFL-OAHLLOKOSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000985332263 662411628 /nfs/dbraw/zinc/41/16/28/662411628.db2.gz KWQNJSJNXCGLFL-OAHLLOKOSA-N 1 3 320.441 0.295 20 0 DCADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985789914 662513474 /nfs/dbraw/zinc/51/34/74/662513474.db2.gz GOIXISPLDSGWMB-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985789914 662513475 /nfs/dbraw/zinc/51/34/75/662513475.db2.gz GOIXISPLDSGWMB-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)CC1 ZINC000987289484 662664645 /nfs/dbraw/zinc/66/46/45/662664645.db2.gz DOEPPVZIRTWICE-GXTWGEPZSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360458 662672184 /nfs/dbraw/zinc/67/21/84/662672184.db2.gz VCEXWAHNHWZLTL-ZFWWWQNUSA-N 1 3 317.437 0.595 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000688722 665909402 /nfs/dbraw/zinc/90/94/02/665909402.db2.gz MPOILYYPAPJZHJ-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000688722 665909405 /nfs/dbraw/zinc/90/94/05/665909405.db2.gz MPOILYYPAPJZHJ-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001000682117 665915831 /nfs/dbraw/zinc/91/58/31/665915831.db2.gz IBGUIWCQPIOWIE-HZPDHXFCSA-N 1 3 307.438 0.601 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001000682117 665915833 /nfs/dbraw/zinc/91/58/33/665915833.db2.gz IBGUIWCQPIOWIE-HZPDHXFCSA-N 1 3 307.438 0.601 20 0 DCADHO C[C@H]1C[C@@H](NCCF)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000989544304 662957172 /nfs/dbraw/zinc/95/71/72/662957172.db2.gz QPBBDEHCLGPBQR-GXTWGEPZSA-N 1 3 311.405 0.607 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000713715 665920737 /nfs/dbraw/zinc/92/07/37/665920737.db2.gz WQLQLMATFCPFTE-AWEZNQCLSA-N 1 3 317.437 0.597 20 0 DCADHO Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000990277419 663028271 /nfs/dbraw/zinc/02/82/71/663028271.db2.gz NVXVBBGUTSSSKF-HNNXBMFYSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000990279705 663028437 /nfs/dbraw/zinc/02/84/37/663028437.db2.gz ZTNUYYDUSUPUSJ-MRXNPFEDSA-N 1 3 319.453 0.637 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001030021596 663088831 /nfs/dbraw/zinc/08/88/31/663088831.db2.gz BPGRLOAGHAGOCK-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CC(NC(=[NH2+])NCCN1C(=O)C2C3C=CC(C3)C2C1=O)C1CC1 ZINC000899270213 663134877 /nfs/dbraw/zinc/13/48/77/663134877.db2.gz IKXOQKSBRGBMHM-DDNRWTCHSA-N 1 3 316.405 0.706 20 0 DCADHO CC1CCN(CCC[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000899867579 663195216 /nfs/dbraw/zinc/19/52/16/663195216.db2.gz QIRUQCUVAVLVSG-OAHLLOKOSA-N 1 3 300.443 0.600 20 0 DCADHO CC(C)[NH+]1CCC(N2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000901146432 663325496 /nfs/dbraw/zinc/32/54/96/663325496.db2.gz RWWBBROYUXMCRE-UHFFFAOYSA-N 1 3 319.453 0.969 20 0 DCADHO CCOC(=O)C1([C@H](C)NCc2cn(C)nc2OC)CC[NH2+]CC1 ZINC000902456642 663415432 /nfs/dbraw/zinc/41/54/32/663415432.db2.gz PSQPSYHNRHQIOE-LBPRGKRZSA-N 1 3 324.425 0.840 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000921272 665962563 /nfs/dbraw/zinc/96/25/63/665962563.db2.gz XORPJMMBGNWQDO-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000921272 665962565 /nfs/dbraw/zinc/96/25/65/665962565.db2.gz XORPJMMBGNWQDO-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CN(CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1CC[NH3+] ZINC000903495901 663458931 /nfs/dbraw/zinc/45/89/31/663458931.db2.gz BNTMUUOGPYHJGI-RKDXNWHRSA-N 1 3 310.320 0.291 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)NC1CCCC1)C2 ZINC000903492005 663458268 /nfs/dbraw/zinc/45/82/68/663458268.db2.gz IBEONTDUMCHJNS-ZHRONYKTSA-N 1 3 323.437 0.646 20 0 DCADHO CN(C)CCCS(=O)(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903543908 663462040 /nfs/dbraw/zinc/46/20/40/663462040.db2.gz BVWYRAADWFXEKE-ZDUSSCGKSA-N 1 3 319.471 0.016 20 0 DCADHO O=C(NC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903725123 663475062 /nfs/dbraw/zinc/47/50/62/663475062.db2.gz WVHNTUPYPHJLBR-DOTOQJQBSA-N 1 3 307.438 0.746 20 0 DCADHO CC1(C)CN(CCNCc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903927584 663496190 /nfs/dbraw/zinc/49/61/90/663496190.db2.gz ZUOYVDHJSIZUBC-AWEZNQCLSA-N 1 3 322.457 0.403 20 0 DCADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC000904304995 663507697 /nfs/dbraw/zinc/50/76/97/663507697.db2.gz ANHRMKLJRSRNKT-WNKDZCFJSA-N 1 3 322.497 0.846 20 0 DCADHO CN(C)c1ncc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000904390795 663511313 /nfs/dbraw/zinc/51/13/13/663511313.db2.gz CSVHWXWNFABHDS-AWEZNQCLSA-N 1 3 305.426 0.872 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905014665 663523959 /nfs/dbraw/zinc/52/39/59/663523959.db2.gz ZCPQDGSACVHTMB-KRWDZBQOSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@H](CNC(=[NH2+])NC[C@H]1CCCS1)CN1CCN(C)CC1 ZINC000905043485 663525595 /nfs/dbraw/zinc/52/55/95/663525595.db2.gz VMQGHWUGTDWEJL-ZIAGYGMSSA-N 1 3 313.515 0.879 20 0 DCADHO C[C@H]1C[N@H+](CCCNC[C@H](O)C2(O)CCCC2)CCCO1 ZINC000905229875 663539732 /nfs/dbraw/zinc/53/97/32/663539732.db2.gz CKKRTYVRJSWLEB-GJZGRUSLSA-N 1 3 300.443 0.743 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)C2(O)CCCC2)CCCO1 ZINC000905229875 663539733 /nfs/dbraw/zinc/53/97/33/663539733.db2.gz CKKRTYVRJSWLEB-GJZGRUSLSA-N 1 3 300.443 0.743 20 0 DCADHO CN1CCN(CC[NH2+]C[C@H](O)CC2(O)CCCC2)CC1(C)C ZINC000905245088 663542008 /nfs/dbraw/zinc/54/20/08/663542008.db2.gz BOMQOAFIAIGVAQ-OAHLLOKOSA-N 1 3 313.486 0.658 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)c1 ZINC001000996698 665977865 /nfs/dbraw/zinc/97/78/65/665977865.db2.gz RQQLAQGJYADLJA-OAHLLOKOSA-N 1 3 318.421 0.428 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000911090697 663980402 /nfs/dbraw/zinc/98/04/02/663980402.db2.gz JYBHZCUVLOAXKK-HZSPNIEDSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CCC(C)CC1 ZINC000911091133 663980889 /nfs/dbraw/zinc/98/08/89/663980889.db2.gz OFCLNFOXRLTSCS-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC(C)CC1 ZINC000911091127 663980925 /nfs/dbraw/zinc/98/09/25/663980925.db2.gz OAOUSZKJBAXKQC-LXTVHRRPSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C[C@H]1CC[NH3+] ZINC000911161790 663995788 /nfs/dbraw/zinc/99/57/88/663995788.db2.gz MNVPPCXZKCDGIQ-RBSFLKMASA-N 1 3 324.469 0.278 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911205286 664004593 /nfs/dbraw/zinc/00/45/93/664004593.db2.gz BHXYMJDSIMZNRN-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911208134 664005629 /nfs/dbraw/zinc/00/56/29/664005629.db2.gz JRGVLZJBCCQXKS-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CCC[C@H](C)C1 ZINC000911378694 664040968 /nfs/dbraw/zinc/04/09/68/664040968.db2.gz HMVFYHZQYMFWSO-XGUBFFRZSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC000911494426 664064972 /nfs/dbraw/zinc/06/49/72/664064972.db2.gz QJWVOGCSDUUOJZ-BARDWOONSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911532032 664070013 /nfs/dbraw/zinc/07/00/13/664070013.db2.gz JEDUZRAEGRHOJJ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC000911736227 664104712 /nfs/dbraw/zinc/10/47/12/664104712.db2.gz INXNFLXWAHMEQC-ZIAGYGMSSA-N 1 3 316.405 0.723 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\Cn1cncn1 ZINC000912302648 664159641 /nfs/dbraw/zinc/15/96/41/664159641.db2.gz FODDCQWHWOXGQA-VSKVDJIOSA-N 1 3 308.430 0.223 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\Cn1cncn1 ZINC000912302648 664159643 /nfs/dbraw/zinc/15/96/43/664159643.db2.gz FODDCQWHWOXGQA-VSKVDJIOSA-N 1 3 308.430 0.223 20 0 DCADHO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000089149707 664722668 /nfs/dbraw/zinc/72/26/68/664722668.db2.gz ODRFQFZMVVDKCX-JSGCOSHPSA-N 1 3 303.472 0.908 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031665701 665275110 /nfs/dbraw/zinc/27/51/10/665275110.db2.gz DYZCHVNUISDUMB-GOEBONIOSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001032529282 665310745 /nfs/dbraw/zinc/31/07/45/665310745.db2.gz ABMQBLCAWITXEX-BFKWJSRZSA-N 1 3 319.449 0.791 20 0 DCADHO CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001032529282 665310749 /nfs/dbraw/zinc/31/07/49/665310749.db2.gz ABMQBLCAWITXEX-BFKWJSRZSA-N 1 3 319.449 0.791 20 0 DCADHO CN(CC(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC000997830258 665352140 /nfs/dbraw/zinc/35/21/40/665352140.db2.gz GIKROZBOIPVACY-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941567334 666020478 /nfs/dbraw/zinc/02/04/78/666020478.db2.gz REXOCOCHVVUFOD-MRXNPFEDSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941567334 666020479 /nfs/dbraw/zinc/02/04/79/666020479.db2.gz REXOCOCHVVUFOD-MRXNPFEDSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941566532 666023630 /nfs/dbraw/zinc/02/36/30/666023630.db2.gz GLGIADLQUJKMDE-INIZCTEOSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941566532 666023632 /nfs/dbraw/zinc/02/36/32/666023632.db2.gz GLGIADLQUJKMDE-INIZCTEOSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000941677884 666040048 /nfs/dbraw/zinc/04/00/48/666040048.db2.gz QKDHJFGBAMGTDO-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000941677884 666040050 /nfs/dbraw/zinc/04/00/50/666040050.db2.gz QKDHJFGBAMGTDO-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)c1ccncc1C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001002051795 666130135 /nfs/dbraw/zinc/13/01/35/666130135.db2.gz DAHZJPGIFZEYIY-UHFFFAOYSA-N 1 3 319.409 0.075 20 0 DCADHO CN1CCN(CC[NH2+]Cc2cnc3n2CCOC3)CC1(C)C ZINC000922099862 666252012 /nfs/dbraw/zinc/25/20/12/666252012.db2.gz SLEXAEIPTJEOTD-UHFFFAOYSA-N 1 3 307.442 0.529 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003629489 666337370 /nfs/dbraw/zinc/33/73/70/666337370.db2.gz BFWJDXRZBRETQX-HOCLYGCPSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003629489 666337372 /nfs/dbraw/zinc/33/73/72/666337372.db2.gz BFWJDXRZBRETQX-HOCLYGCPSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003629493 666337431 /nfs/dbraw/zinc/33/74/31/666337431.db2.gz BFWJDXRZBRETQX-ZBFHGGJFSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003629493 666337432 /nfs/dbraw/zinc/33/74/32/666337432.db2.gz BFWJDXRZBRETQX-ZBFHGGJFSA-N 1 3 319.453 0.661 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1)N(C)C ZINC000946784397 666656210 /nfs/dbraw/zinc/65/62/10/666656210.db2.gz JDRMQWCTJPRAJC-WCVJEAGWSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1)N(C)C ZINC000946784397 666656211 /nfs/dbraw/zinc/65/62/11/666656211.db2.gz JDRMQWCTJPRAJC-WCVJEAGWSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@H]([NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C)C(N)=O ZINC000995915714 666722091 /nfs/dbraw/zinc/72/20/91/666722091.db2.gz GMHCRXNJBONNCV-KBPBESRZSA-N 1 3 324.469 0.561 20 0 DCADHO CC1(C)CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC000996096041 666738390 /nfs/dbraw/zinc/73/83/90/666738390.db2.gz CLJKBYCBNSQQSQ-ZFWWWQNUSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996220814 666751971 /nfs/dbraw/zinc/75/19/71/666751971.db2.gz FURSYTXRYVGMMO-DGCLKSJQSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C)C(N)=O ZINC000996309014 666769009 /nfs/dbraw/zinc/76/90/09/666769009.db2.gz GTPVSUUKGYHEQN-QWHCGFSZSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCN(CCO)C1 ZINC001033686042 666795026 /nfs/dbraw/zinc/79/50/26/666795026.db2.gz YTUOGFNUZHDIKD-INIZCTEOSA-N 1 3 305.422 0.887 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]CCn2cncn2)CC1)C1CCC1 ZINC000996664065 666850890 /nfs/dbraw/zinc/85/08/90/666850890.db2.gz DHTJPZMSZOPYTQ-UHFFFAOYSA-N 1 3 320.441 0.343 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)C1CC1 ZINC000996674156 666854791 /nfs/dbraw/zinc/85/47/91/666854791.db2.gz APCOHCRUEVECAJ-CJNGLKHVSA-N 1 3 309.454 0.944 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCN(C2CC2)C1 ZINC000734274025 666860264 /nfs/dbraw/zinc/86/02/64/666860264.db2.gz FURRYQZSGNZXTK-BPLDGKMQSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H]1CCN(C2CC2)C1 ZINC000734274025 666860269 /nfs/dbraw/zinc/86/02/69/666860269.db2.gz FURRYQZSGNZXTK-BPLDGKMQSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734274025 666860271 /nfs/dbraw/zinc/86/02/71/666860271.db2.gz FURRYQZSGNZXTK-BPLDGKMQSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734274025 666860274 /nfs/dbraw/zinc/86/02/74/666860274.db2.gz FURRYQZSGNZXTK-BPLDGKMQSA-N 1 3 308.426 0.386 20 0 DCADHO Cn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000996726761 666877864 /nfs/dbraw/zinc/87/78/64/666877864.db2.gz AQRVMHSFHIGAAU-HNNXBMFYSA-N 1 3 320.441 0.380 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000861644016 666953242 /nfs/dbraw/zinc/95/32/42/666953242.db2.gz SYIAOAHWFPKERW-GDBMZVCRSA-N 1 3 318.421 0.239 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC000996993730 667059446 /nfs/dbraw/zinc/05/94/46/667059446.db2.gz DGUJBJFHAKFMRA-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997003982 667068771 /nfs/dbraw/zinc/06/87/71/667068771.db2.gz BCTRHGRCKNRGBR-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997003982 667068780 /nfs/dbraw/zinc/06/87/80/667068780.db2.gz BCTRHGRCKNRGBR-UKRRQHHQSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(NCc3nccn3C)CC2)C1 ZINC000997007169 667069040 /nfs/dbraw/zinc/06/90/40/667069040.db2.gz PBVMWZIJWNMWTR-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NCc3nccn3C)CC2)C1 ZINC000997007169 667069043 /nfs/dbraw/zinc/06/90/43/667069043.db2.gz PBVMWZIJWNMWTR-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997041523 667085863 /nfs/dbraw/zinc/08/58/63/667085863.db2.gz LGPQBLWZKUFZCU-CYBMUJFWSA-N 1 3 306.410 0.959 20 0 DCADHO Cn1cncc1C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997042637 667086250 /nfs/dbraw/zinc/08/62/50/667086250.db2.gz SCKZBGXXVMQZGI-UHFFFAOYSA-N 1 3 302.382 0.467 20 0 DCADHO CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CCN(CCO)CC1 ZINC001005586221 667100495 /nfs/dbraw/zinc/10/04/95/667100495.db2.gz WEUQQJNFIOHPEP-CVEARBPZSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CCN(CCO)CC1 ZINC001005586221 667100498 /nfs/dbraw/zinc/10/04/98/667100498.db2.gz WEUQQJNFIOHPEP-CVEARBPZSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)NC(=O)OC(C)(C)C ZINC000863554617 667157274 /nfs/dbraw/zinc/15/72/74/667157274.db2.gz CXDPPQPLHJOXTM-QWHCGFSZSA-N 1 3 301.431 0.946 20 0 DCADHO Cn1cc(CCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cn1 ZINC000863549291 667156152 /nfs/dbraw/zinc/15/61/52/667156152.db2.gz HIZWRTZZSACHJO-CABCVRRESA-N 1 3 319.409 0.220 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C)N(C)C ZINC001035052558 667230229 /nfs/dbraw/zinc/23/02/29/667230229.db2.gz PCMVWGJSCVTUTA-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997300801 667234232 /nfs/dbraw/zinc/23/42/32/667234232.db2.gz XQMHHRMBJQKMNS-AWEZNQCLSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997300801 667234234 /nfs/dbraw/zinc/23/42/34/667234234.db2.gz XQMHHRMBJQKMNS-AWEZNQCLSA-N 1 3 317.437 0.817 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001035125735 667251955 /nfs/dbraw/zinc/25/19/55/667251955.db2.gz MLMJUGMJDQSTPY-ZIAGYGMSSA-N 1 3 320.441 0.330 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001035125735 667251956 /nfs/dbraw/zinc/25/19/56/667251956.db2.gz MLMJUGMJDQSTPY-ZIAGYGMSSA-N 1 3 320.441 0.330 20 0 DCADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+](C)C ZINC000864415751 667252123 /nfs/dbraw/zinc/25/21/23/667252123.db2.gz FPQHQODMKYSSNO-NSHDSACASA-N 1 3 302.419 0.119 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004515 667333843 /nfs/dbraw/zinc/33/38/43/667333843.db2.gz YFQUOCSEBCSRSW-CQSZACIVSA-N 1 3 317.437 0.249 20 0 DCADHO CN(C)CCCS(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000866762043 667395189 /nfs/dbraw/zinc/39/51/89/667395189.db2.gz HBSSISQZEIIYFR-LSDHHAIUSA-N 1 3 311.451 0.695 20 0 DCADHO O=C(N1CCC2(CN(CCO)C2)CC1)C12CCC[NH+](CCC1)C2 ZINC001035731116 667405420 /nfs/dbraw/zinc/40/54/20/667405420.db2.gz FFPNBUCVJKLRDE-UHFFFAOYSA-N 1 3 321.465 0.779 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035834049 667413721 /nfs/dbraw/zinc/41/37/21/667413721.db2.gz GVSRJHWEWCLUAF-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035834049 667413722 /nfs/dbraw/zinc/41/37/22/667413722.db2.gz GVSRJHWEWCLUAF-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC001036194413 667429469 /nfs/dbraw/zinc/42/94/69/667429469.db2.gz PNXMYGZVYGRJPR-HIFRSBDPSA-N 1 3 316.409 0.676 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1CC[NH2+][C@H]1CCNC1=O ZINC001036326654 667436381 /nfs/dbraw/zinc/43/63/81/667436381.db2.gz OVNIEEQFTYYZDA-KGLIPLIRSA-N 1 3 319.409 0.202 20 0 DCADHO O=C(NCCN1CCCCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884181336 667492188 /nfs/dbraw/zinc/49/21/88/667492188.db2.gz BTUIGPNTGCHPHQ-UHFFFAOYSA-N 1 3 317.437 0.707 20 0 DCADHO CN1CCC[C@H]1CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884198433 667495900 /nfs/dbraw/zinc/49/59/00/667495900.db2.gz WQSQYIGTXJZOTP-AWEZNQCLSA-N 1 3 303.410 0.315 20 0 DCADHO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923375946 667519841 /nfs/dbraw/zinc/51/98/41/667519841.db2.gz SHKUFYJHQFBGHK-HUUCEWRRSA-N 1 3 311.430 0.551 20 0 DCADHO CCCCOC[C@H](O)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923375946 667519842 /nfs/dbraw/zinc/51/98/42/667519842.db2.gz SHKUFYJHQFBGHK-HUUCEWRRSA-N 1 3 311.430 0.551 20 0 DCADHO CC(C)CC[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416790 667527463 /nfs/dbraw/zinc/52/74/63/667527463.db2.gz ZVFDLUWZSBRCEA-BARDWOONSA-N 1 3 311.426 0.650 20 0 DCADHO COCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000884432159 667543942 /nfs/dbraw/zinc/54/39/42/667543942.db2.gz USFSTTAVPYQJQJ-CQSZACIVSA-N 1 3 322.409 0.280 20 0 DCADHO CCN(C(=O)C(=O)NCCN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884576647 667569180 /nfs/dbraw/zinc/56/91/80/667569180.db2.gz MQHSAWWHBOHEHI-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000884576472 667569281 /nfs/dbraw/zinc/56/92/81/667569281.db2.gz IKBDFMKUIBAHDS-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884601175 667573198 /nfs/dbraw/zinc/57/31/98/667573198.db2.gz CYRSBODKSFBHPB-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884601175 667573201 /nfs/dbraw/zinc/57/32/01/667573201.db2.gz CYRSBODKSFBHPB-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000884664003 667584741 /nfs/dbraw/zinc/58/47/41/667584741.db2.gz ADCQQGBSMLJRJO-UPJWGTAASA-N 1 3 310.442 0.171 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC1(C)C ZINC000884804720 667608927 /nfs/dbraw/zinc/60/89/27/667608927.db2.gz IOQMSRWHJXJIIO-CYBMUJFWSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885009482 667634422 /nfs/dbraw/zinc/63/44/22/667634422.db2.gz WNZJHTRDGNMERJ-LXTVHRRPSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C[C@](C)(O)C(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000886097550 667732122 /nfs/dbraw/zinc/73/21/22/667732122.db2.gz BKOLRYQSFBZVRI-NFAWXSAZSA-N 1 3 305.413 0.960 20 0 DCADHO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000886097550 667732123 /nfs/dbraw/zinc/73/21/23/667732123.db2.gz BKOLRYQSFBZVRI-NFAWXSAZSA-N 1 3 305.413 0.960 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000886097550 667732125 /nfs/dbraw/zinc/73/21/25/667732125.db2.gz BKOLRYQSFBZVRI-NFAWXSAZSA-N 1 3 305.413 0.960 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870891376 667770578 /nfs/dbraw/zinc/77/05/78/667770578.db2.gz BCWYTNFUJBTSLV-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CC[C@H]([NH2+]CC2(S(=O)(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000886732974 667792798 /nfs/dbraw/zinc/79/27/98/667792798.db2.gz WQWTTWHYYUJGQO-STQMWFEESA-N 1 3 303.472 0.730 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC000889748430 667987647 /nfs/dbraw/zinc/98/76/47/667987647.db2.gz FRHKGESGPHXWOY-FZKCQIBNSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC000889748430 667987648 /nfs/dbraw/zinc/98/76/48/667987648.db2.gz FRHKGESGPHXWOY-FZKCQIBNSA-N 1 3 309.454 0.774 20 0 DCADHO CC[N@H+](CCN1C(=O)N[C@@H](CN2CCCCC2)C1=O)C1CC1 ZINC000924573951 668218805 /nfs/dbraw/zinc/21/88/05/668218805.db2.gz LPLJJAFVVWCZDS-AWEZNQCLSA-N 1 3 308.426 0.877 20 0 DCADHO CC[N@@H+](CCN1C(=O)N[C@@H](CN2CCCCC2)C1=O)C1CC1 ZINC000924573951 668218807 /nfs/dbraw/zinc/21/88/07/668218807.db2.gz LPLJJAFVVWCZDS-AWEZNQCLSA-N 1 3 308.426 0.877 20 0 DCADHO Cc1cc(N2CCC(N[C@@H]3C[NH2+]CCOC3)CC2)nc(C)n1 ZINC000925540722 668328365 /nfs/dbraw/zinc/32/83/65/668328365.db2.gz FEVZWGSBNYFQFH-OAHLLOKOSA-N 1 3 305.426 0.640 20 0 DCADHO C(N[C@@H]1C[NH2+]CCOC1)C1(CN2CCOCC2)CCCCC1 ZINC000925539242 668328432 /nfs/dbraw/zinc/32/84/32/668328432.db2.gz AGKDYTWSHUIFPE-MRXNPFEDSA-N 1 3 311.470 0.847 20 0 DCADHO O=C(NCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccn[nH]1 ZINC000925631993 668337774 /nfs/dbraw/zinc/33/77/74/668337774.db2.gz NBVPPDQMNKKJLW-UONOGXRCSA-N 1 3 305.426 0.897 20 0 DCADHO C(CN1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1)N1CCOCC1 ZINC000925767763 668347143 /nfs/dbraw/zinc/34/71/43/668347143.db2.gz HJWDDJYMILDTFV-IAGOWNOFSA-N 1 3 310.486 0.515 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926174189 668383242 /nfs/dbraw/zinc/38/32/42/668383242.db2.gz QJOSDTBFGNVCEW-MUIFIZLQSA-N 1 3 311.470 0.924 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926174189 668383244 /nfs/dbraw/zinc/38/32/44/668383244.db2.gz QJOSDTBFGNVCEW-MUIFIZLQSA-N 1 3 311.470 0.924 20 0 DCADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cn(C)cn1 ZINC000926574942 668413140 /nfs/dbraw/zinc/41/31/40/668413140.db2.gz CEAJIVSYSYOPIB-OAHLLOKOSA-N 1 3 321.469 0.867 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765354844 668485366 /nfs/dbraw/zinc/48/53/66/668485366.db2.gz VTRAGDFMNUGRFG-CVEARBPZSA-N 1 3 322.497 0.955 20 0 DCADHO CN1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927645951 668492420 /nfs/dbraw/zinc/49/24/20/668492420.db2.gz QHLCRGAUBJDHGC-OAHLLOKOSA-N 1 3 310.442 0.587 20 0 DCADHO CN1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927645951 668492422 /nfs/dbraw/zinc/49/24/22/668492422.db2.gz QHLCRGAUBJDHGC-OAHLLOKOSA-N 1 3 310.442 0.587 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(CN)cnn2C)C1 ZINC000876724104 668496623 /nfs/dbraw/zinc/49/66/23/668496623.db2.gz NSALWWFDTMVANN-CHWSQXEVSA-N 1 3 307.442 0.977 20 0 DCADHO COC[C@]1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC[NH2+]1 ZINC000876743456 668500188 /nfs/dbraw/zinc/50/01/88/668500188.db2.gz CSTNMEVUTAELDR-YCPHGPKFSA-N 1 3 311.426 0.125 20 0 DCADHO CN(C)C[C@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000876757827 668502989 /nfs/dbraw/zinc/50/29/89/668502989.db2.gz HYGOSPRKXUYCDA-HNNXBMFYSA-N 1 3 308.426 0.845 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000876957222 668542521 /nfs/dbraw/zinc/54/25/21/668542521.db2.gz UZIHIROIDPIKNR-CYBMUJFWSA-N 1 3 305.426 0.731 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000877082163 668559361 /nfs/dbraw/zinc/55/93/61/668559361.db2.gz XSRGPLJLSHLPMH-ZDUSSCGKSA-N 1 3 324.425 0.193 20 0 DCADHO COCCN(CC1CC[NH+](C)CC1)C(=O)C[C@@H]1CNCCO1 ZINC000877133172 668565567 /nfs/dbraw/zinc/56/55/67/668565567.db2.gz XRNZGJCYSSBHIV-OAHLLOKOSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)[NH2+]CC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207372 668576821 /nfs/dbraw/zinc/57/68/21/668576821.db2.gz UMZJFMVHCVXJEA-UHFFFAOYSA-N 1 3 302.382 0.340 20 0 DCADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2n[nH]c3c2CNCC3)C1 ZINC000877269586 668588201 /nfs/dbraw/zinc/58/82/01/668588201.db2.gz AMDGVRZJQUOIOV-NSHDSACASA-N 1 3 311.389 0.833 20 0 DCADHO COC(=O)CCN(CC(=O)NC1CC[NH+](C)CC1)CC(C)C ZINC000878016240 668669910 /nfs/dbraw/zinc/66/99/10/668669910.db2.gz RZZFNQVLBHFOOF-UHFFFAOYSA-N 1 3 313.442 0.718 20 0 DCADHO Cn1cc(C2=NC[C@H](CN3CCC(C[NH+](C)C)CC3)O2)cn1 ZINC000929283533 668671958 /nfs/dbraw/zinc/67/19/58/668671958.db2.gz SEFKMSZUUUNUNF-OAHLLOKOSA-N 1 3 305.426 0.839 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000774433262 668833185 /nfs/dbraw/zinc/83/31/85/668833185.db2.gz ULZFSYDKRFRBRH-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C2(O)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930138104 668966435 /nfs/dbraw/zinc/96/64/35/668966435.db2.gz XODNALLKNOUQMV-OAGGEKHMSA-N 1 3 311.470 0.220 20 0 DCADHO C[C@H]1CN(CCC(=O)N2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880262373 669183203 /nfs/dbraw/zinc/18/32/03/669183203.db2.gz XVWJBMLOODZQAH-HNNXBMFYSA-N 1 3 318.421 0.841 20 0 DCADHO CN(CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC000950079957 669928894 /nfs/dbraw/zinc/92/88/94/669928894.db2.gz CFTWUADUWABJLH-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000950079957 669928896 /nfs/dbraw/zinc/92/88/96/669928896.db2.gz CFTWUADUWABJLH-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)CC1 ZINC000950826678 670134518 /nfs/dbraw/zinc/13/45/18/670134518.db2.gz HMYQGRBWFOOEHE-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[NH+](C)CCOCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810919141 670501216 /nfs/dbraw/zinc/50/12/16/670501216.db2.gz CBMQBRJPYUFKKO-HNNXBMFYSA-N 1 3 303.422 0.893 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(F)(F)F ZINC000848596248 670700370 /nfs/dbraw/zinc/70/03/70/670700370.db2.gz UQIWGXXTYIJTMN-GUBZILKMSA-N 1 3 310.320 0.038 20 0 DCADHO CC(=O)OC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346771 670700340 /nfs/dbraw/zinc/70/03/40/670700340.db2.gz LYMTWIWDKNSRCT-LBPRGKRZSA-N 1 3 301.431 0.716 20 0 DCADHO CC(=O)OC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346771 670700344 /nfs/dbraw/zinc/70/03/44/670700344.db2.gz LYMTWIWDKNSRCT-LBPRGKRZSA-N 1 3 301.431 0.716 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1cccnc1 ZINC000855346200 670701129 /nfs/dbraw/zinc/70/11/29/670701129.db2.gz RMXMBBMCVWWOLV-DZGCQCFKSA-N 1 3 308.426 0.503 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1cccnc1 ZINC000855346200 670701131 /nfs/dbraw/zinc/70/11/31/670701131.db2.gz RMXMBBMCVWWOLV-DZGCQCFKSA-N 1 3 308.426 0.503 20 0 DCADHO Cn1ncc(CNCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000815127513 670718156 /nfs/dbraw/zinc/71/81/56/670718156.db2.gz VVGDPZOUXGZTLL-UHFFFAOYSA-N 1 3 306.458 0.855 20 0 DCADHO [NH2+]=C(NCCCN1CCOCC1)NCc1n[nH]c(C2CC2)n1 ZINC000849035853 670753502 /nfs/dbraw/zinc/75/35/02/670753502.db2.gz ZWFYOXNRECSGIJ-UHFFFAOYSA-N 1 3 307.402 0.018 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852799299 671161080 /nfs/dbraw/zinc/16/10/80/671161080.db2.gz TUMPUDIVEDNSKR-RWMBFGLXSA-N 1 3 319.409 0.080 20 0 DCADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2c(s1)CCNC2 ZINC000852797799 671161290 /nfs/dbraw/zinc/16/12/90/671161290.db2.gz BPZNBIWCJGGLGL-OLZOCXBDSA-N 1 3 321.446 0.987 20 0 DCADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(s1)CCNC2 ZINC000852797799 671161291 /nfs/dbraw/zinc/16/12/91/671161291.db2.gz BPZNBIWCJGGLGL-OLZOCXBDSA-N 1 3 321.446 0.987 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)N2CCN(CC3CCCCC3)CC2)=NO1 ZINC000852857746 671176174 /nfs/dbraw/zinc/17/61/74/671176174.db2.gz DSRBRFXFNREEBR-CQSZACIVSA-N 1 3 308.426 0.815 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000852860681 671177324 /nfs/dbraw/zinc/17/73/24/671177324.db2.gz IFPYVBZFIUDBSS-UKRRQHHQSA-N 1 3 304.394 0.818 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000825223509 671453262 /nfs/dbraw/zinc/45/32/62/671453262.db2.gz JEONAQAKYOUDFJ-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CCN1CCN(CCCNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000827024035 671510955 /nfs/dbraw/zinc/51/09/55/671510955.db2.gz PNPCHGUEYHYEEM-UHFFFAOYSA-N 1 3 304.438 0.903 20 0 DCADHO CN1CCN(C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC000827430980 671527404 /nfs/dbraw/zinc/52/74/04/671527404.db2.gz YJTVLXUUGIZIQV-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO [NH3+]CCCCCCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000831292330 671663308 /nfs/dbraw/zinc/66/33/08/671663308.db2.gz XWSLOVKWROZQPL-AWEZNQCLSA-N 1 3 300.447 0.652 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000841017820 671909455 /nfs/dbraw/zinc/90/94/55/671909455.db2.gz ICEJVYPZPUOCBC-UHFFFAOYSA-N 1 3 303.410 0.922 20 0 DCADHO Cn1nc(Br)cc1CNCCN1CC[NH2+]CC1 ZINC000841044639 671909850 /nfs/dbraw/zinc/90/98/50/671909850.db2.gz FTVBJLKIAMKKDU-UHFFFAOYSA-N 1 3 302.220 0.177 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC000841050949 671910789 /nfs/dbraw/zinc/91/07/89/671910789.db2.gz LDRGNHQWTSYWIF-ZDUSSCGKSA-N 1 3 318.421 0.945 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841788214 671955068 /nfs/dbraw/zinc/95/50/68/671955068.db2.gz DUNIWWBCZNCQGS-GJZGRUSLSA-N 1 3 308.426 0.459 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@@H]21 ZINC000841790787 671955212 /nfs/dbraw/zinc/95/52/12/671955212.db2.gz KBMHQNYFIYLSDY-DGADGQDISA-N 1 3 322.453 0.618 20 0 DCADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[NH2+]C1 ZINC000841790503 671955520 /nfs/dbraw/zinc/95/55/20/671955520.db2.gz DLPGMVKGQVRHBF-BYNSBNAKSA-N 1 3 310.442 0.537 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842252458 672000045 /nfs/dbraw/zinc/00/00/45/672000045.db2.gz ABHNHKGTNWZKKJ-CQSZACIVSA-N 1 3 320.437 0.083 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843488592 672103629 /nfs/dbraw/zinc/10/36/29/672103629.db2.gz GNMVNLKFSFXSNI-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO [NH3+]CCC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000846148328 672297453 /nfs/dbraw/zinc/29/74/53/672297453.db2.gz ZQUMPKXHFGTKLI-CABCVRRESA-N 1 3 310.442 0.620 20 0 DCADHO NC(=O)c1cccnc1N1CCN(CCCCCC[NH3+])CC1 ZINC000846222836 672301558 /nfs/dbraw/zinc/30/15/58/672301558.db2.gz ZVDFXFOFIHOBHE-UHFFFAOYSA-N 1 3 305.426 0.822 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC001020274190 693755161 /nfs/dbraw/zinc/75/51/61/693755161.db2.gz CDBMFLYMSNFPDR-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)CN1CCCC1 ZINC001020274190 693755164 /nfs/dbraw/zinc/75/51/64/693755164.db2.gz CDBMFLYMSNFPDR-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037862042 693957765 /nfs/dbraw/zinc/95/77/65/693957765.db2.gz UGWVRZWFAGAGAM-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC000953903538 685894533 /nfs/dbraw/zinc/89/45/33/685894533.db2.gz WDOFEJHRBZGXPJ-GJZGRUSLSA-N 1 3 324.469 0.336 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000954412001 686011049 /nfs/dbraw/zinc/01/10/49/686011049.db2.gz YMTNPHIRSWWCAJ-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000954412001 686011056 /nfs/dbraw/zinc/01/10/56/686011056.db2.gz YMTNPHIRSWWCAJ-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CCO)CC2 ZINC000957516717 687075782 /nfs/dbraw/zinc/07/57/82/687075782.db2.gz AJNQCWLGHCWJQG-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914631 688481958 /nfs/dbraw/zinc/48/19/58/688481958.db2.gz URKKRAKABGVBNF-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914631 688481962 /nfs/dbraw/zinc/48/19/62/688481962.db2.gz URKKRAKABGVBNF-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1 ZINC000962306663 688878901 /nfs/dbraw/zinc/87/89/01/688878901.db2.gz PVOYARYBHVDRKP-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]([NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1)C(N)=O ZINC000965065401 689348214 /nfs/dbraw/zinc/34/82/14/689348214.db2.gz VVJKQRVEWTULFI-RQRWYUMJSA-N 1 3 322.453 0.219 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC000968673141 690363325 /nfs/dbraw/zinc/36/33/25/690363325.db2.gz QWUBNCHOJWCJOT-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968912797 690423370 /nfs/dbraw/zinc/42/33/70/690423370.db2.gz RYHKCBNSFLKCGQ-UKRRQHHQSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001011159546 691479511 /nfs/dbraw/zinc/47/95/11/691479511.db2.gz XXCRVRBYTMPKRW-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001011159546 691479514 /nfs/dbraw/zinc/47/95/14/691479514.db2.gz XXCRVRBYTMPKRW-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)N(C)C ZINC001011263942 691497417 /nfs/dbraw/zinc/49/74/17/691497417.db2.gz SVRNMTNHYQKPRX-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CO[C@@H](C)CN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015827076 692458100 /nfs/dbraw/zinc/45/81/00/692458100.db2.gz MPDHTSNBVSXSBV-DZGCQCFKSA-N 1 3 323.441 0.284 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015999370 692541008 /nfs/dbraw/zinc/54/10/08/692541008.db2.gz URGWGJXDMPJPNA-HUUCEWRRSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015999370 692541012 /nfs/dbraw/zinc/54/10/12/692541012.db2.gz URGWGJXDMPJPNA-HUUCEWRRSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015999368 692541235 /nfs/dbraw/zinc/54/12/35/692541235.db2.gz URGWGJXDMPJPNA-CABCVRRESA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015999368 692541238 /nfs/dbraw/zinc/54/12/38/692541238.db2.gz URGWGJXDMPJPNA-CABCVRRESA-N 1 3 319.453 0.495 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001018865111 693267666 /nfs/dbraw/zinc/26/76/66/693267666.db2.gz DDVUHZVTDNUDTO-VHDGCEQUSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001018865111 693267669 /nfs/dbraw/zinc/26/76/69/693267669.db2.gz DDVUHZVTDNUDTO-VHDGCEQUSA-N 1 3 305.426 0.451 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001018963156 693298652 /nfs/dbraw/zinc/29/86/52/693298652.db2.gz BCLLKAPTIPGVTP-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)C1=O ZINC001018972816 693302285 /nfs/dbraw/zinc/30/22/85/693302285.db2.gz QKZSQJRAFWSNAK-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)C(N)=O ZINC001019068768 693341738 /nfs/dbraw/zinc/34/17/38/693341738.db2.gz LLUQHZVMAZISJS-OLZOCXBDSA-N 1 3 324.469 0.704 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)C(N)=O ZINC001019068768 693341743 /nfs/dbraw/zinc/34/17/43/693341743.db2.gz LLUQHZVMAZISJS-OLZOCXBDSA-N 1 3 324.469 0.704 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001019290240 693421993 /nfs/dbraw/zinc/42/19/93/693421993.db2.gz XEGCIBRUYSUKCK-BPUTZDHNSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001019290240 693421997 /nfs/dbraw/zinc/42/19/97/693421997.db2.gz XEGCIBRUYSUKCK-BPUTZDHNSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001019383342 693455932 /nfs/dbraw/zinc/45/59/32/693455932.db2.gz CDUMUCWXLQHMMR-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001019812197 693593410 /nfs/dbraw/zinc/59/34/10/693593410.db2.gz BDQOAMWDWQHROO-INIZCTEOSA-N 1 3 319.453 0.987 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073035850 694697079 /nfs/dbraw/zinc/69/70/79/694697079.db2.gz WPQKXEDUYSOADB-OAHLLOKOSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073035850 694697080 /nfs/dbraw/zinc/69/70/80/694697080.db2.gz WPQKXEDUYSOADB-OAHLLOKOSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1NC(=O)CC[NH+](C)C ZINC001074198113 694838610 /nfs/dbraw/zinc/83/86/10/694838610.db2.gz KCOISXYXDWQBEV-OCCSQVGLSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074685994 694917061 /nfs/dbraw/zinc/91/70/61/694917061.db2.gz FGNWQEVMEJIZAE-IHRRRGAJSA-N 1 3 310.442 0.314 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001074685994 694917062 /nfs/dbraw/zinc/91/70/62/694917062.db2.gz FGNWQEVMEJIZAE-IHRRRGAJSA-N 1 3 310.442 0.314 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]1C)N(C)C ZINC001074885769 694928588 /nfs/dbraw/zinc/92/85/88/694928588.db2.gz WHOTVABSTRTKFP-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106738 694938488 /nfs/dbraw/zinc/93/84/88/694938488.db2.gz KRMFDRKZSWVNMF-LZWOXQAQSA-N 1 3 319.453 0.759 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075106738 694938489 /nfs/dbraw/zinc/93/84/89/694938489.db2.gz KRMFDRKZSWVNMF-LZWOXQAQSA-N 1 3 319.453 0.759 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2=CCCCC2)C1 ZINC001571441263 1162756980 /nfs/dbraw/zinc/75/69/80/1162756980.db2.gz UTVHWIRHALEUTO-HOCLYGCPSA-N 1 3 309.454 0.895 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C[C@H]1C ZINC001671256458 1158094621 /nfs/dbraw/zinc/09/46/21/1158094621.db2.gz GBKOQYLKZQMZEB-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CC1(O)CCN(C)CC1 ZINC000397485994 1158100314 /nfs/dbraw/zinc/10/03/14/1158100314.db2.gz BVONQVXWGSTAPB-HNNXBMFYSA-N 1 3 308.422 0.781 20 0 DCADHO CN(CCNC/C=C\Cl)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001691508908 1158130132 /nfs/dbraw/zinc/13/01/32/1158130132.db2.gz ZUAIBBBCIFRCNS-PLNGDYQASA-N 1 3 313.833 0.859 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001720143281 1158148524 /nfs/dbraw/zinc/14/85/24/1158148524.db2.gz FAXCJUQKDVXESK-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001720143281 1158148525 /nfs/dbraw/zinc/14/85/25/1158148525.db2.gz FAXCJUQKDVXESK-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001752766499 1158157945 /nfs/dbraw/zinc/15/79/45/1158157945.db2.gz RHOCXFOWKRKMMB-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001752923236 1158479118 /nfs/dbraw/zinc/47/91/18/1158479118.db2.gz ABYQKJHITKEPGH-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C[C@@H]1C ZINC001446418502 1159407108 /nfs/dbraw/zinc/40/71/08/1159407108.db2.gz MOEKXTAHGIYZHY-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)[C@@H](C)C1 ZINC001447576180 1159664745 /nfs/dbraw/zinc/66/47/45/1159664745.db2.gz XUJUGXGQSSMLLL-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566811817 1160159231 /nfs/dbraw/zinc/15/92/31/1160159231.db2.gz YWKLNKYFTYRWES-JOCQHMNTSA-N 1 3 308.430 0.284 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001566852585 1160168123 /nfs/dbraw/zinc/16/81/23/1160168123.db2.gz ZMGLZXUFZKEABE-DVOMOZLQSA-N 1 3 315.433 0.818 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001567107237 1160243542 /nfs/dbraw/zinc/24/35/42/1160243542.db2.gz XKGFHSJQFMAZOM-STQMWFEESA-N 1 3 319.396 0.943 20 0 DCADHO COc1ccc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)nn1 ZINC001569266764 1160997685 /nfs/dbraw/zinc/99/76/85/1160997685.db2.gz GQOWPFWNGAMKCR-UHFFFAOYSA-N 1 3 321.425 0.519 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CCn2cncn2)C1 ZINC001569556176 1161145686 /nfs/dbraw/zinc/14/56/86/1161145686.db2.gz XSAANTFPWNDTHG-GJZGRUSLSA-N 1 3 320.441 0.201 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O ZINC001569557383 1161148313 /nfs/dbraw/zinc/14/83/13/1161148313.db2.gz WQMKHNTYAPBKQA-AWEZNQCLSA-N 1 3 319.409 0.155 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CCC3CC3)C2)C1 ZINC001570153617 1161453160 /nfs/dbraw/zinc/45/31/60/1161453160.db2.gz PNIDBARUNRSPGB-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CC1(C)CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC(C)(C)N1 ZINC001573609079 1163515917 /nfs/dbraw/zinc/51/59/17/1163515917.db2.gz MECRGZQTKCZYTM-GFCCVEGCSA-N 1 3 303.472 0.921 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1c[nH]nn1)[NH+]1CCCC1 ZINC001575327758 1163976494 /nfs/dbraw/zinc/97/64/94/1163976494.db2.gz HLGVPIRQFAMXNH-DZGCQCFKSA-N 1 3 322.457 0.862 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cn[nH]n2)C1 ZINC001575387039 1163995306 /nfs/dbraw/zinc/99/53/06/1163995306.db2.gz VDLQRXJWXSWPFW-UMVBOHGHSA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cn[nH]n2)C1 ZINC001575387039 1163995312 /nfs/dbraw/zinc/99/53/12/1163995312.db2.gz VDLQRXJWXSWPFW-UMVBOHGHSA-N 1 3 320.441 0.662 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCc1cn[nH]n1 ZINC001576024137 1164214059 /nfs/dbraw/zinc/21/40/59/1164214059.db2.gz RMRYLSLUJLZBEJ-TZMCWYRMSA-N 1 3 308.430 0.268 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCOC3(CC[NH2+]CC3)C2)CN1C1CC1 ZINC001576617135 1164413551 /nfs/dbraw/zinc/41/35/51/1164413551.db2.gz QFGBWTGXBBPFNE-KGLIPLIRSA-N 1 3 322.453 0.776 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)c2c(CN)cnn2C)CCCO1 ZINC001576806902 1164470137 /nfs/dbraw/zinc/47/01/37/1164470137.db2.gz KTDHQBCKXCFAFB-LBPRGKRZSA-N 1 3 309.414 0.110 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)c2c(CN)cnn2C)CCCO1 ZINC001576806902 1164470144 /nfs/dbraw/zinc/47/01/44/1164470144.db2.gz KTDHQBCKXCFAFB-LBPRGKRZSA-N 1 3 309.414 0.110 20 0 DCADHO C[C@H]1CNC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC001576850596 1164495013 /nfs/dbraw/zinc/49/50/13/1164495013.db2.gz UVMGVNDFSOYGDC-LMINUHAASA-N 1 3 308.470 0.658 20 0 DCADHO C[C@H]1CNC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC001576850598 1164495264 /nfs/dbraw/zinc/49/52/64/1164495264.db2.gz UVMGVNDFSOYGDC-QUHHJHJSSA-N 1 3 308.470 0.658 20 0 DCADHO CC[C@H](CN1CCOCC1)N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001577084746 1164597721 /nfs/dbraw/zinc/59/77/21/1164597721.db2.gz GXXSPGKSTIAJSC-QBPKDAKJSA-N 1 3 311.470 0.844 20 0 DCADHO CCC1(N2CCOCC2)CCN([C@H]2C[NH2+]CC[C@]2(C)O)CC1 ZINC001577230649 1164645141 /nfs/dbraw/zinc/64/51/41/1164645141.db2.gz UMUKSVVMAIJBQL-HOTGVXAUSA-N 1 3 311.470 0.676 20 0 DCADHO C[NH+](C)C[C@]1(O)CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC001578412196 1165004572 /nfs/dbraw/zinc/00/45/72/1165004572.db2.gz IAHYGCGATYDLDF-DOTOQJQBSA-N 1 3 303.406 0.746 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC001578640137 1165073390 /nfs/dbraw/zinc/07/33/90/1165073390.db2.gz FPGYACHPEWWIMW-CZUORRHYSA-N 1 3 323.437 0.919 20 0 DCADHO COC(=O)c1oc(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1C ZINC001578887558 1165150974 /nfs/dbraw/zinc/15/09/74/1165150974.db2.gz DTIGYMSWMRLTLL-GFCCVEGCSA-N 1 3 323.393 0.662 20 0 DCADHO COCCOc1cccc(CN[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)c1 ZINC001579065858 1165198756 /nfs/dbraw/zinc/19/87/56/1165198756.db2.gz PHFJRZHAXUITDF-CQSZACIVSA-N 1 3 319.405 0.374 20 0 DCADHO Cn1cc([C@]2(CNCCC3([NH3+])CCOCC3)CCCO2)cn1 ZINC001579955024 1165449185 /nfs/dbraw/zinc/44/91/85/1165449185.db2.gz KJIIGVQWXCCZIX-MRXNPFEDSA-N 1 3 308.426 0.913 20 0 DCADHO Cn1cc([C@@]2(CNCCC3([NH3+])CCOCC3)CCCO2)cn1 ZINC001579955020 1165449292 /nfs/dbraw/zinc/44/92/92/1165449292.db2.gz KJIIGVQWXCCZIX-INIZCTEOSA-N 1 3 308.426 0.913 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)N3CCC([NH+]4CCC4)CC3)cc21 ZINC001580184777 1165529464 /nfs/dbraw/zinc/52/94/64/1165529464.db2.gz KBMPJAURCFPBAJ-CYBMUJFWSA-N 1 3 303.410 0.987 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCN1C1CCOCC1 ZINC001580556727 1165638693 /nfs/dbraw/zinc/63/86/93/1165638693.db2.gz WHBFMWZFIUBDEV-LSDHHAIUSA-N 1 3 311.426 0.125 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001580556727 1165638696 /nfs/dbraw/zinc/63/86/96/1165638696.db2.gz WHBFMWZFIUBDEV-LSDHHAIUSA-N 1 3 311.426 0.125 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001580556727 1165638698 /nfs/dbraw/zinc/63/86/98/1165638698.db2.gz WHBFMWZFIUBDEV-LSDHHAIUSA-N 1 3 311.426 0.125 20 0 DCADHO O=C1CNC(=O)N1CCCN1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC001580849672 1165736435 /nfs/dbraw/zinc/73/64/35/1165736435.db2.gz FKOMJYDOMJOLNW-UONOGXRCSA-N 1 3 308.426 0.782 20 0 DCADHO CCOC(=O)C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001584248779 1166317277 /nfs/dbraw/zinc/31/72/77/1166317277.db2.gz VKXSNPHJAKPURR-ZDUSSCGKSA-N 1 3 315.458 0.964 20 0 DCADHO CCOC(=O)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001584248779 1166317283 /nfs/dbraw/zinc/31/72/83/1166317283.db2.gz VKXSNPHJAKPURR-ZDUSSCGKSA-N 1 3 315.458 0.964 20 0 DCADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1C[NH3+] ZINC001603933516 1169441498 /nfs/dbraw/zinc/44/14/98/1169441498.db2.gz WHFNTIAQSKHPKJ-UGFHNGPFSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC[C@H]1C[NH3+] ZINC001603933516 1169441503 /nfs/dbraw/zinc/44/15/03/1169441503.db2.gz WHFNTIAQSKHPKJ-UGFHNGPFSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C[NH3+] ZINC001603933516 1169441507 /nfs/dbraw/zinc/44/15/07/1169441507.db2.gz WHFNTIAQSKHPKJ-UGFHNGPFSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C[NH3+] ZINC001603933516 1169441509 /nfs/dbraw/zinc/44/15/09/1169441509.db2.gz WHFNTIAQSKHPKJ-UGFHNGPFSA-N 1 3 316.409 0.817 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(=O)OC ZINC001629101008 1171542558 /nfs/dbraw/zinc/54/25/58/1171542558.db2.gz KWSGMQUROSTANE-STQMWFEESA-N 1 3 301.431 0.574 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(=O)OC ZINC001629101008 1171542567 /nfs/dbraw/zinc/54/25/67/1171542567.db2.gz KWSGMQUROSTANE-STQMWFEESA-N 1 3 301.431 0.574 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001646200119 1172284479 /nfs/dbraw/zinc/28/44/79/1172284479.db2.gz UMLXJUPLDCNJMZ-GJZGRUSLSA-N 1 3 311.474 0.535 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001646740887 1172503482 /nfs/dbraw/zinc/50/34/82/1172503482.db2.gz POGKGZKVJANZCP-XJKCOSOUSA-N 1 3 313.442 0.894 20 0 DCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001646794401 1172536449 /nfs/dbraw/zinc/53/64/49/1172536449.db2.gz CTHVCHNGZXLABL-OZVIIMIRSA-N 1 3 305.426 0.747 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N[C@@H]3CCCN(CCCO)C3)[C@H]2C1 ZINC001649312826 1173100033 /nfs/dbraw/zinc/10/00/33/1173100033.db2.gz KTMSIKUKEXODFZ-FZKCQIBNSA-N 1 3 324.469 0.473 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N[C@@H]3CCCN(CCCO)C3)[C@H]2C1 ZINC001649312826 1173100034 /nfs/dbraw/zinc/10/00/34/1173100034.db2.gz KTMSIKUKEXODFZ-FZKCQIBNSA-N 1 3 324.469 0.473 20 0 DCADHO N[C@@H](CC(=O)N1NC(=O)CC12CC[NH2+]CC2)c1ccccc1 ZINC001650395068 1173615424 /nfs/dbraw/zinc/61/54/24/1173615424.db2.gz HRVQKYAXQCVXOV-ZDUSSCGKSA-N 1 3 302.378 0.462 20 0 DCADHO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001662084339 1174179502 /nfs/dbraw/zinc/17/95/02/1174179502.db2.gz FHRYCCBHVYIPOH-NPCUJANDSA-N 1 3 309.454 0.942 20 0 DCADHO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@H]1C ZINC001662084339 1174179505 /nfs/dbraw/zinc/17/95/05/1174179505.db2.gz FHRYCCBHVYIPOH-NPCUJANDSA-N 1 3 309.454 0.942 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)Cc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001663855849 1174363308 /nfs/dbraw/zinc/36/33/08/1174363308.db2.gz JMTWMJMKPTVVDJ-IRXDYDNUSA-N 1 3 319.449 0.732 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001666482306 1174604197 /nfs/dbraw/zinc/60/41/97/1174604197.db2.gz AYUNQJZDYRCEME-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001668213538 1174768905 /nfs/dbraw/zinc/76/89/05/1174768905.db2.gz BMDWDZYEXNIYSP-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cnc(CNCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001668278546 1174777834 /nfs/dbraw/zinc/77/78/34/1174777834.db2.gz IIOWCTKIBHNKCI-ZDUSSCGKSA-N 1 3 317.437 0.865 20 0 DCADHO C[C@H](CCNCC(=O)Nc1ccon1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001668309363 1174781508 /nfs/dbraw/zinc/78/15/08/1174781508.db2.gz HYDFSKWTLLXGGR-NEPJUHHUSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@H](CCNCC(=O)Nc1ccon1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668309363 1174781512 /nfs/dbraw/zinc/78/15/12/1174781512.db2.gz HYDFSKWTLLXGGR-NEPJUHHUSA-N 1 3 323.397 0.049 20 0 DCADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001668883434 1174855617 /nfs/dbraw/zinc/85/56/17/1174855617.db2.gz OWDRPSXEJAINHD-LQYUOIDQSA-N 1 3 320.437 0.488 20 0 DCADHO C[C@H](NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1cnccn1 ZINC001670345167 1175005528 /nfs/dbraw/zinc/00/55/28/1175005528.db2.gz REZQVBOEOXXLNX-UONOGXRCSA-N 1 3 305.426 0.927 20 0 DCADHO C[C@H](NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1cnccn1 ZINC001670345167 1175005532 /nfs/dbraw/zinc/00/55/32/1175005532.db2.gz REZQVBOEOXXLNX-UONOGXRCSA-N 1 3 305.426 0.927 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001672761937 1175151061 /nfs/dbraw/zinc/15/10/61/1175151061.db2.gz SKYCPZZXCDYNHV-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001689362356 1176843255 /nfs/dbraw/zinc/84/32/55/1176843255.db2.gz XZCKHQPSINTQCN-IYKSTZQJSA-N 1 3 324.469 0.600 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001689362356 1176843266 /nfs/dbraw/zinc/84/32/66/1176843266.db2.gz XZCKHQPSINTQCN-IYKSTZQJSA-N 1 3 324.469 0.600 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001689965092 1177130358 /nfs/dbraw/zinc/13/03/58/1177130358.db2.gz HZXORJVLPPYCCA-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001689965092 1177130360 /nfs/dbraw/zinc/13/03/60/1177130360.db2.gz HZXORJVLPPYCCA-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001690899566 1177347646 /nfs/dbraw/zinc/34/76/46/1177347646.db2.gz SGEGTVFNXYKGEW-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001690899566 1177347652 /nfs/dbraw/zinc/34/76/52/1177347652.db2.gz SGEGTVFNXYKGEW-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCN1CCCC1=O ZINC001698768423 1177644409 /nfs/dbraw/zinc/64/44/09/1177644409.db2.gz OOZUTMCZMSSYLQ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CN1CCCC1 ZINC001698860086 1177696889 /nfs/dbraw/zinc/69/68/89/1177696889.db2.gz LIVCXGAVXZZIHF-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO COCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001699020739 1177776092 /nfs/dbraw/zinc/77/60/92/1177776092.db2.gz NVTCZJJRWSUNMM-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO COCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001699020739 1177776102 /nfs/dbraw/zinc/77/61/02/1177776102.db2.gz NVTCZJJRWSUNMM-UKRRQHHQSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@H](CC[NH2+]Cc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001699108223 1177861799 /nfs/dbraw/zinc/86/17/99/1177861799.db2.gz ZGUZFACNSUGAFD-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001699509102 1178173489 /nfs/dbraw/zinc/17/34/89/1178173489.db2.gz KAXMCLOMEXFFNL-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)CNCCF)[NH+]1CCCCC1 ZINC001700977996 1178855709 /nfs/dbraw/zinc/85/57/09/1178855709.db2.gz MKOPBCHNZRDVQE-CABCVRRESA-N 1 3 317.449 0.875 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1cccc2cccnc21 ZINC000215721512 1179181449 /nfs/dbraw/zinc/18/14/49/1179181449.db2.gz GGQAWZKCKVTONK-UHFFFAOYSA-N 1 3 322.434 0.842 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001713240774 1180732588 /nfs/dbraw/zinc/73/25/88/1180732588.db2.gz PRCZPRQCBPGGLQ-ZIAGYGMSSA-N 1 3 308.426 0.941 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001713654396 1180999071 /nfs/dbraw/zinc/99/90/71/1180999071.db2.gz CPHPAMOCVMRAIZ-CYBMUJFWSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001714882129 1181584172 /nfs/dbraw/zinc/58/41/72/1181584172.db2.gz GUMWDBKIOJLHOO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCC1)N(C)C ZINC001715679697 1181938214 /nfs/dbraw/zinc/93/82/14/1181938214.db2.gz WIENUCZZIIKTMH-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715813021 1182021129 /nfs/dbraw/zinc/02/11/29/1182021129.db2.gz BWAUPDHTOJYSIZ-UZYOAWRESA-N 1 3 324.469 0.647 20 0 DCADHO CC(C)(C(=O)NC/C=C\CN[C@@H]1CCNC1=O)[NH+]1CCCCC1 ZINC001715821571 1182027470 /nfs/dbraw/zinc/02/74/70/1182027470.db2.gz STZDNJDRGGLFMU-ZRUQZJFASA-N 1 3 322.453 0.401 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC/C=C/CN[C@@H](C)C(N)=O)CC1 ZINC001715884779 1182075610 /nfs/dbraw/zinc/07/56/10/1182075610.db2.gz AVTOBSKJKRMKDL-IHVVCDCBSA-N 1 3 310.442 0.243 20 0 DCADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@H]1CCc2ncnn21 ZINC001715906891 1182092750 /nfs/dbraw/zinc/09/27/50/1182092750.db2.gz GKJJYWISXKOQHU-VSZDKKFSSA-N 1 3 318.425 0.123 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCC(=O)N1CCC1 ZINC001715911400 1182097077 /nfs/dbraw/zinc/09/70/77/1182097077.db2.gz HWHPPVASGQGUIQ-RGDDUWESSA-N 1 3 322.453 0.355 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCC(=O)N1CCC1 ZINC001715911400 1182097081 /nfs/dbraw/zinc/09/70/81/1182097081.db2.gz HWHPPVASGQGUIQ-RGDDUWESSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001715911628 1182097302 /nfs/dbraw/zinc/09/73/02/1182097302.db2.gz IVDRUHLJBGGCFV-DSYXLKISSA-N 1 3 318.421 0.498 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001716146809 1182219504 /nfs/dbraw/zinc/21/95/04/1182219504.db2.gz ZNLQWLWTNZLQAG-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001716195611 1182245301 /nfs/dbraw/zinc/24/53/01/1182245301.db2.gz JZYLXJZYTPOGHD-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001716195611 1182245306 /nfs/dbraw/zinc/24/53/06/1182245306.db2.gz JZYLXJZYTPOGHD-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716217657 1182260855 /nfs/dbraw/zinc/26/08/55/1182260855.db2.gz AGYPZYZKUJZHNO-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716217657 1182260861 /nfs/dbraw/zinc/26/08/61/1182260861.db2.gz AGYPZYZKUJZHNO-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CCNCc1ccc(OC)nc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716254049 1182279413 /nfs/dbraw/zinc/27/94/13/1182279413.db2.gz RPAYPISFTZALNB-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO CCN(CCNCc1ccc(OC)nc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001716254049 1182279419 /nfs/dbraw/zinc/27/94/19/1182279419.db2.gz RPAYPISFTZALNB-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCOCC(F)F)CN1C(=O)Cc1c[nH]cn1 ZINC001717823780 1183018420 /nfs/dbraw/zinc/01/84/20/1183018420.db2.gz JWWVEWULIZOBNR-ZYHUDNBSSA-N 1 3 316.352 0.813 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000172573103 1183860611 /nfs/dbraw/zinc/86/06/11/1183860611.db2.gz ZLGVVFWLIMOPHM-HZPDHXFCSA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001723124700 1184264800 /nfs/dbraw/zinc/26/48/00/1184264800.db2.gz XFHYUCZQNWCKSF-GFCCVEGCSA-N 1 3 300.447 0.276 20 0 DCADHO CCNC(=O)C[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC001723157959 1184269792 /nfs/dbraw/zinc/26/97/92/1184269792.db2.gz UGDZLRDGHFARGU-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[NH+]1CCC(C(=O)N(CCO)CCNCc2cccnc2)CC1 ZINC001724679050 1184515661 /nfs/dbraw/zinc/51/56/61/1184515661.db2.gz JAMMHBYALROVLH-UHFFFAOYSA-N 1 3 320.437 0.334 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001724739099 1184541140 /nfs/dbraw/zinc/54/11/40/1184541140.db2.gz PSNCBLGSKYGOJO-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725389401 1184800117 /nfs/dbraw/zinc/80/01/17/1184800117.db2.gz SKZYADVILDHGLL-UMVBOHGHSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001725389401 1184800127 /nfs/dbraw/zinc/80/01/27/1184800127.db2.gz SKZYADVILDHGLL-UMVBOHGHSA-N 1 3 322.457 0.530 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001725573469 1184891605 /nfs/dbraw/zinc/89/16/05/1184891605.db2.gz FVWBSEOTHVKBPB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC(C)C)CC[N@@H+]1C ZINC001753190604 1185177027 /nfs/dbraw/zinc/17/70/27/1185177027.db2.gz GRLQAESJJCATBQ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)NC(C)C)CC[N@H+]1C ZINC001753190604 1185177030 /nfs/dbraw/zinc/17/70/30/1185177030.db2.gz GRLQAESJJCATBQ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001753260307 1185190170 /nfs/dbraw/zinc/19/01/70/1185190170.db2.gz GNBOBXOAAADSRS-CQSZACIVSA-N 1 3 306.410 0.590 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001753260307 1185190175 /nfs/dbraw/zinc/19/01/75/1185190175.db2.gz GNBOBXOAAADSRS-CQSZACIVSA-N 1 3 306.410 0.590 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)[C@@H]2CCCNC2=O)C1 ZINC001731265280 1185228212 /nfs/dbraw/zinc/22/82/12/1185228212.db2.gz GQMZURFMJPAHKZ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@@H]2CCCNC2=O)C1 ZINC001731265280 1185228216 /nfs/dbraw/zinc/22/82/16/1185228216.db2.gz GQMZURFMJPAHKZ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO COCCOCCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001732175565 1185721248 /nfs/dbraw/zinc/72/12/48/1185721248.db2.gz IVKOBVWEVLTXKS-GJZGRUSLSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCCN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001732175565 1185721253 /nfs/dbraw/zinc/72/12/53/1185721253.db2.gz IVKOBVWEVLTXKS-GJZGRUSLSA-N 1 3 313.442 0.134 20 0 DCADHO COc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCN2C)n1 ZINC001732679971 1185915124 /nfs/dbraw/zinc/91/51/24/1185915124.db2.gz CCJPNSHYZNFRDY-OCCSQVGLSA-N 1 3 321.425 0.564 20 0 DCADHO C[C@@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001732727631 1185938374 /nfs/dbraw/zinc/93/83/74/1185938374.db2.gz APVOMXXEUZBJMP-GJZGRUSLSA-N 1 3 321.469 0.789 20 0 DCADHO C[C@H](CC[NH2+]Cc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001732728966 1185939282 /nfs/dbraw/zinc/93/92/82/1185939282.db2.gz PMHFIYNJSQFVQA-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001732872191 1186029017 /nfs/dbraw/zinc/02/90/17/1186029017.db2.gz BDJDFIYBNOWZKU-LPUOJRKPSA-N 1 3 322.453 0.257 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001732872191 1186029022 /nfs/dbraw/zinc/02/90/22/1186029022.db2.gz BDJDFIYBNOWZKU-LPUOJRKPSA-N 1 3 322.453 0.257 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC ZINC001732944994 1186074071 /nfs/dbraw/zinc/07/40/71/1186074071.db2.gz YLRXOJGZNOUZIA-HYLRALAJSA-N 1 3 310.442 0.257 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC ZINC001732944994 1186074076 /nfs/dbraw/zinc/07/40/76/1186074076.db2.gz YLRXOJGZNOUZIA-HYLRALAJSA-N 1 3 310.442 0.257 20 0 DCADHO CN(CCC[NH2+]CC(=O)N(C)C1CC1)C(=O)CN1CCCC1 ZINC001733143081 1186160334 /nfs/dbraw/zinc/16/03/34/1186160334.db2.gz BORTYBSJMQGXRA-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO Cc1cnc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001733144592 1186162218 /nfs/dbraw/zinc/16/22/18/1186162218.db2.gz VQBHAGMQZZRBNS-CQSZACIVSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1cnc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001733144592 1186162223 /nfs/dbraw/zinc/16/22/23/1186162223.db2.gz VQBHAGMQZZRBNS-CQSZACIVSA-N 1 3 305.426 0.675 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)N(C)C ZINC001733145539 1186162335 /nfs/dbraw/zinc/16/23/35/1186162335.db2.gz SFCNESBOEVJXPR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)N1CCCCCC1 ZINC001733741077 1186425245 /nfs/dbraw/zinc/42/52/45/1186425245.db2.gz BCOUOVQXJWQELD-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](CCOCCO)[C@@H](C)C1 ZINC001733902787 1186492848 /nfs/dbraw/zinc/49/28/48/1186492848.db2.gz SZGDKMPIMDQHQR-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)[C@@H](C)C1 ZINC001733902787 1186492853 /nfs/dbraw/zinc/49/28/53/1186492853.db2.gz SZGDKMPIMDQHQR-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001734427311 1186650439 /nfs/dbraw/zinc/65/04/39/1186650439.db2.gz YOQRSERXNVUHOG-RISCZKNCSA-N 1 3 319.409 0.057 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001738697149 1187631355 /nfs/dbraw/zinc/63/13/55/1187631355.db2.gz FVSJJYLEHXVDPD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001742445491 1187984304 /nfs/dbraw/zinc/98/43/04/1187984304.db2.gz JRXIAJYHEFSTRB-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001742445491 1187984309 /nfs/dbraw/zinc/98/43/09/1187984309.db2.gz JRXIAJYHEFSTRB-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)N(CCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001744050711 1188179129 /nfs/dbraw/zinc/17/91/29/1188179129.db2.gz BEEZGRMTSSBHMJ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCCN(C)C1=O ZINC001752055604 1188382351 /nfs/dbraw/zinc/38/23/51/1188382351.db2.gz DDOZEZCTEMBKSF-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCN(C)[C@@H]1CCCN(C)C1=O ZINC001752090160 1188388701 /nfs/dbraw/zinc/38/87/01/1188388701.db2.gz JQORSKWFUKGRIO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCN(C)[C@@H]1CCCN(C)C1=O ZINC001752090160 1188388703 /nfs/dbraw/zinc/38/87/03/1188388703.db2.gz JQORSKWFUKGRIO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001753039797 1188481344 /nfs/dbraw/zinc/48/13/44/1188481344.db2.gz KGNXRCJDANHQKP-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753039797 1188481345 /nfs/dbraw/zinc/48/13/45/1188481345.db2.gz KGNXRCJDANHQKP-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCc2ccnn2C)CCC1 ZINC001753195894 1188530971 /nfs/dbraw/zinc/53/09/71/1188530971.db2.gz CGJVKAYJXWGSRH-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C ZINC001754129787 1188752678 /nfs/dbraw/zinc/75/26/78/1188752678.db2.gz PZUSNGKIEQVUER-YOVCOIKASA-N 1 3 324.469 0.600 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C ZINC001754129787 1188752681 /nfs/dbraw/zinc/75/26/81/1188752681.db2.gz PZUSNGKIEQVUER-YOVCOIKASA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001754133404 1188754510 /nfs/dbraw/zinc/75/45/10/1188754510.db2.gz JEKZEZPQKINWGP-RWCKICOTSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001754133404 1188754514 /nfs/dbraw/zinc/75/45/14/1188754514.db2.gz JEKZEZPQKINWGP-RWCKICOTSA-N 1 3 324.469 0.600 20 0 DCADHO CN1CC[C@H](NC/C=C/CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001754142879 1188758703 /nfs/dbraw/zinc/75/87/03/1188758703.db2.gz AKPZFVZGNGGJND-HSWBROFVSA-N 1 3 320.437 0.108 20 0 DCADHO CCOCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001755443969 1189114356 /nfs/dbraw/zinc/11/43/56/1189114356.db2.gz FCEZSDSOJTVHLR-TZMCWYRMSA-N 1 3 310.398 0.194 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCNC(=O)C1CC1 ZINC001755591452 1189154481 /nfs/dbraw/zinc/15/44/81/1189154481.db2.gz YSBPFAWPMINDBF-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(C1C[NH2+]C1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404134663 1190188191 /nfs/dbraw/zinc/18/81/91/1190188191.db2.gz BTHJISHMYJDHQD-DLBZAZTESA-N 1 3 315.417 0.708 20 0 DCADHO [NH3+]CCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309902530 1190389399 /nfs/dbraw/zinc/38/93/99/1190389399.db2.gz PGUQYTLYDDTHDC-HNNXBMFYSA-N 1 3 311.451 0.777 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001772222281 1190634333 /nfs/dbraw/zinc/63/43/33/1190634333.db2.gz FJOCGYFGDKKAAF-FZMZJTMJSA-N 1 3 318.421 0.969 20 0 DCADHO COC1CCN(CCNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001772226355 1190635614 /nfs/dbraw/zinc/63/56/14/1190635614.db2.gz OSABDPPLHMHKEA-INIZCTEOSA-N 1 3 324.425 0.112 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001772226581 1190635885 /nfs/dbraw/zinc/63/58/85/1190635885.db2.gz DOZRUTYTMAMTKO-HFTRVMKXSA-N 1 3 315.417 0.616 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001772260509 1190646173 /nfs/dbraw/zinc/64/61/73/1190646173.db2.gz FCRMTJLERWULIB-WCQYABFASA-N 1 3 305.378 0.746 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001772292987 1190655187 /nfs/dbraw/zinc/65/51/87/1190655187.db2.gz FWBJZCPCVZOPHC-JSGCOSHPSA-N 1 3 316.405 0.626 20 0 DCADHO O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001772315345 1190660957 /nfs/dbraw/zinc/66/09/57/1190660957.db2.gz GDVKZICHKAMIMW-HOTGVXAUSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)[C@]12CCC[C@H]1[NH2+]CC2 ZINC001772316250 1190661224 /nfs/dbraw/zinc/66/12/24/1190661224.db2.gz RCKITOVWMFUOAZ-ANQUJSFKSA-N 1 3 307.438 0.576 20 0 DCADHO O=C(CCC12CC(C1)C[NH2+]2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001772315731 1190661346 /nfs/dbraw/zinc/66/13/46/1190661346.db2.gz JVJVZFRJPGBSHF-GYMHETDLSA-N 1 3 307.438 0.576 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001772387529 1190671297 /nfs/dbraw/zinc/67/12/97/1190671297.db2.gz RMMIFHCFFWSWTR-HZSPNIEDSA-N 1 3 320.441 0.906 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001772387529 1190671298 /nfs/dbraw/zinc/67/12/98/1190671298.db2.gz RMMIFHCFFWSWTR-HZSPNIEDSA-N 1 3 320.441 0.906 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001772430928 1190680467 /nfs/dbraw/zinc/68/04/67/1190680467.db2.gz DENLSKDEIPUOPL-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001772430928 1190680469 /nfs/dbraw/zinc/68/04/69/1190680469.db2.gz DENLSKDEIPUOPL-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO OC[C@]12C[NH2+]C[C@@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164402084 718853122 /nfs/dbraw/zinc/85/31/22/718853122.db2.gz DTCVFMMLCPJEDR-NVXWUHKLSA-N 1 3 302.422 0.696 20 0 DCADHO CN1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]21 ZINC001164669743 719423624 /nfs/dbraw/zinc/42/36/24/719423624.db2.gz MOVDNMNDOHUPRS-GJZGRUSLSA-N 1 3 317.437 0.528 20 0 DCADHO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(CN)ncn1)CC2 ZINC001164686254 719711090 /nfs/dbraw/zinc/71/10/90/719711090.db2.gz YKWMZBQGNNFSEI-UHFFFAOYSA-N 1 3 318.425 0.116 20 0 DCADHO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(CN)ncn1)CC2 ZINC001164686254 719711109 /nfs/dbraw/zinc/71/11/09/719711109.db2.gz YKWMZBQGNNFSEI-UHFFFAOYSA-N 1 3 318.425 0.116 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480572 751415312 /nfs/dbraw/zinc/41/53/12/751415312.db2.gz LKZRIMOVGSKGFJ-CABCVRRESA-N 1 3 322.453 0.043 20 0 DCADHO O=C(NCCNCc1ccsc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786255 752090591 /nfs/dbraw/zinc/09/05/91/752090591.db2.gz WXXDZXQZCWQDHQ-KGLIPLIRSA-N 1 3 309.435 0.817 20 0 DCADHO O=C(NCCNCc1ccsc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786255 752090599 /nfs/dbraw/zinc/09/05/99/752090599.db2.gz WXXDZXQZCWQDHQ-KGLIPLIRSA-N 1 3 309.435 0.817 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC001167260965 747044790 /nfs/dbraw/zinc/04/47/90/747044790.db2.gz SJSIESQGLQRYTO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287296 747096068 /nfs/dbraw/zinc/09/60/68/747096068.db2.gz BHDAPMPGBCOTBO-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001167627603 747436714 /nfs/dbraw/zinc/43/67/14/747436714.db2.gz QIKAIFAPZPGIGB-OAHLLOKOSA-N 1 3 315.458 0.354 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001087256967 747554213 /nfs/dbraw/zinc/55/42/13/747554213.db2.gz SQVATDOUISZLEY-CYBMUJFWSA-N 1 3 319.409 0.250 20 0 DCADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCO)C1)C1CCC1 ZINC001087363866 747767777 /nfs/dbraw/zinc/76/77/77/747767777.db2.gz OXRSZOMUEIIOET-HJWJTTGWSA-N 1 3 321.465 0.632 20 0 DCADHO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCO)C1)C1CCC1 ZINC001087363866 747767778 /nfs/dbraw/zinc/76/77/78/747767778.db2.gz OXRSZOMUEIIOET-HJWJTTGWSA-N 1 3 321.465 0.632 20 0 DCADHO Cc1cc(-c2nccn2C)c(NC(=N)NCCCC[NH3+])nn1 ZINC001167880411 748459782 /nfs/dbraw/zinc/45/97/82/748459782.db2.gz LXVPVZSBMCTCDM-UHFFFAOYSA-N 1 3 302.386 0.861 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001077678657 752285057 /nfs/dbraw/zinc/28/50/57/752285057.db2.gz QULCSBJTFDNCKK-LBPRGKRZSA-N 1 3 323.441 0.613 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112155790 748884647 /nfs/dbraw/zinc/88/46/47/748884647.db2.gz KREDUZDLKHOYMM-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255573 750936391 /nfs/dbraw/zinc/93/63/91/750936391.db2.gz JXVJFMCSQLSQMP-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255573 750936395 /nfs/dbraw/zinc/93/63/95/750936395.db2.gz JXVJFMCSQLSQMP-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255333 750936652 /nfs/dbraw/zinc/93/66/52/750936652.db2.gz IQNIKNFFCYAFLT-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255333 750936656 /nfs/dbraw/zinc/93/66/56/750936656.db2.gz IQNIKNFFCYAFLT-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255574 750936733 /nfs/dbraw/zinc/93/67/33/750936733.db2.gz JXVJFMCSQLSQMP-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255574 750936739 /nfs/dbraw/zinc/93/67/39/750936739.db2.gz JXVJFMCSQLSQMP-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780413 751013303 /nfs/dbraw/zinc/01/33/03/751013303.db2.gz VDMSMHUPHXUTSM-HIFRSBDPSA-N 1 3 320.441 0.503 20 0 DCADHO CCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780413 751013312 /nfs/dbraw/zinc/01/33/12/751013312.db2.gz VDMSMHUPHXUTSM-HIFRSBDPSA-N 1 3 320.441 0.503 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C1 ZINC001106336136 751113844 /nfs/dbraw/zinc/11/38/44/751113844.db2.gz DMZDVQZVZUTFES-JHJVBQTASA-N 1 3 312.458 0.275 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357490 751196263 /nfs/dbraw/zinc/19/62/63/751196263.db2.gz ZFRUSEBPBORQQV-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357490 751196267 /nfs/dbraw/zinc/19/62/67/751196267.db2.gz ZFRUSEBPBORQQV-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)CN1CCCC1 ZINC001044857790 752905213 /nfs/dbraw/zinc/90/52/13/752905213.db2.gz NVKDOZCBLSXECW-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C ZINC001078083949 753027520 /nfs/dbraw/zinc/02/75/20/753027520.db2.gz TZRFRAQTRMXTKO-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCc2cnnn2C)C1 ZINC001045200111 753087961 /nfs/dbraw/zinc/08/79/61/753087961.db2.gz MJPIKTUVOTWHIM-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCc2cnnn2C)C1 ZINC001045200111 753087967 /nfs/dbraw/zinc/08/79/67/753087967.db2.gz MJPIKTUVOTWHIM-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCC[C@H]1C)NC(=O)CC[NH+](C)C ZINC001078467576 753263122 /nfs/dbraw/zinc/26/31/22/753263122.db2.gz HRGPDOJNDPKBAU-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046009911 753412867 /nfs/dbraw/zinc/41/28/67/753412867.db2.gz FUTDTYHGLQUCJY-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046009911 753412871 /nfs/dbraw/zinc/41/28/71/753412871.db2.gz FUTDTYHGLQUCJY-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035894 753439167 /nfs/dbraw/zinc/43/91/67/753439167.db2.gz VMVVCGLGLIWECQ-IAGOWNOFSA-N 1 3 322.497 0.954 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035894 753439168 /nfs/dbraw/zinc/43/91/68/753439168.db2.gz VMVVCGLGLIWECQ-IAGOWNOFSA-N 1 3 322.497 0.954 20 0 DCADHO C[C@H](F)CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833850 753963332 /nfs/dbraw/zinc/96/33/32/753963332.db2.gz YWKJGGSYSIDKSI-CFVMTHIKSA-N 1 3 315.433 0.628 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001128774575 754267247 /nfs/dbraw/zinc/26/72/47/754267247.db2.gz UKAFTERJTGEOEM-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001128774575 754267250 /nfs/dbraw/zinc/26/72/50/754267250.db2.gz UKAFTERJTGEOEM-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083860404 754347555 /nfs/dbraw/zinc/34/75/55/754347555.db2.gz PHWSVHJMWFBUSP-CVEARBPZSA-N 1 3 305.422 0.933 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875751 754991910 /nfs/dbraw/zinc/99/19/10/754991910.db2.gz LMPLCKHAMLOMGB-WCVJEAGWSA-N 1 3 311.470 0.998 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875751 754991913 /nfs/dbraw/zinc/99/19/13/754991913.db2.gz LMPLCKHAMLOMGB-WCVJEAGWSA-N 1 3 311.470 0.998 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001063100598 755105019 /nfs/dbraw/zinc/10/50/19/755105019.db2.gz MYDBUACZGVFIQM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001063100598 755105023 /nfs/dbraw/zinc/10/50/23/755105023.db2.gz MYDBUACZGVFIQM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049130913 755137169 /nfs/dbraw/zinc/13/71/69/755137169.db2.gz ANVRIKIGWNKUHO-OAGGEKHMSA-N 1 3 309.454 0.489 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049130913 755137170 /nfs/dbraw/zinc/13/71/70/755137170.db2.gz ANVRIKIGWNKUHO-OAGGEKHMSA-N 1 3 309.454 0.489 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)C1 ZINC001049213362 755184020 /nfs/dbraw/zinc/18/40/20/755184020.db2.gz NUGNUIUPFPILIC-YESZJQIVSA-N 1 3 314.433 0.924 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)C1 ZINC001049213362 755184024 /nfs/dbraw/zinc/18/40/24/755184024.db2.gz NUGNUIUPFPILIC-YESZJQIVSA-N 1 3 314.433 0.924 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049234027 755195987 /nfs/dbraw/zinc/19/59/87/755195987.db2.gz WIMNBQLCVSVQKJ-OWCLPIDISA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049234027 755195992 /nfs/dbraw/zinc/19/59/92/755195992.db2.gz WIMNBQLCVSVQKJ-OWCLPIDISA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001053503189 756068564 /nfs/dbraw/zinc/06/85/64/756068564.db2.gz ITAYYPMCSQLCIW-OLZOCXBDSA-N 1 3 321.425 0.115 20 0 DCADHO CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080560050 756247023 /nfs/dbraw/zinc/24/70/23/756247023.db2.gz UWYLSEQQHHDNAF-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@H+](CCO)C3)C2)CCC1 ZINC001054145601 756383887 /nfs/dbraw/zinc/38/38/87/756383887.db2.gz SZFUQHZNVLXCBL-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@@H+](CCO)C3)C2)CCC1 ZINC001054145601 756383892 /nfs/dbraw/zinc/38/38/92/756383892.db2.gz SZFUQHZNVLXCBL-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1)C1CC1 ZINC001054144965 756384556 /nfs/dbraw/zinc/38/45/56/756384556.db2.gz GACXTWNYUMTASL-NVXWUHKLSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1)C1CC1 ZINC001054144965 756384560 /nfs/dbraw/zinc/38/45/60/756384560.db2.gz GACXTWNYUMTASL-NVXWUHKLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001054198221 756404140 /nfs/dbraw/zinc/40/41/40/756404140.db2.gz SLSKDVKPLOUSHZ-RDJZCZTQSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001054198221 756404142 /nfs/dbraw/zinc/40/41/42/756404142.db2.gz SLSKDVKPLOUSHZ-RDJZCZTQSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054734711 756620846 /nfs/dbraw/zinc/62/08/46/756620846.db2.gz CSJUMIRYMVINLL-DZGCQCFKSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(=O)N1CCC1 ZINC001054743238 756623771 /nfs/dbraw/zinc/62/37/71/756623771.db2.gz FYTAYNIABAWQLU-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C)C(N)=O ZINC001082941613 757340195 /nfs/dbraw/zinc/34/01/95/757340195.db2.gz BWPAKPZEZGXMCA-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)O)CC2)N(C)C ZINC001050554371 757833917 /nfs/dbraw/zinc/83/39/17/757833917.db2.gz VFOWBCQRHWZNCO-CABCVRRESA-N 1 3 311.470 0.878 20 0 DCADHO CC[NH+]1CCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)CC1 ZINC001050598375 757881384 /nfs/dbraw/zinc/88/13/84/757881384.db2.gz DTMKZTHFRUHJSK-SWKXRBFHSA-N 1 3 319.449 0.794 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050662676 757942161 /nfs/dbraw/zinc/94/21/61/757942161.db2.gz MABJOTYOPQNIOB-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001166857254 757950174 /nfs/dbraw/zinc/95/01/74/757950174.db2.gz ALVJIQXJOPCXQU-AWEZNQCLSA-N 1 3 310.446 0.331 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001051342186 758585236 /nfs/dbraw/zinc/58/52/36/758585236.db2.gz VIHHZRFLCFHHJA-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081462 759165481 /nfs/dbraw/zinc/16/54/81/759165481.db2.gz BQOPCXQLGQPLLM-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081462 759165488 /nfs/dbraw/zinc/16/54/88/759165488.db2.gz BQOPCXQLGQPLLM-SJORKVTESA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731625 759245597 /nfs/dbraw/zinc/24/55/97/759245597.db2.gz GNOLAQGSVVOEPC-DGNOSDGRSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731625 759245603 /nfs/dbraw/zinc/24/56/03/759245603.db2.gz GNOLAQGSVVOEPC-DGNOSDGRSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147900270 767880181 /nfs/dbraw/zinc/88/01/81/767880181.db2.gz LDOKCKIMLWNPMD-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147900270 767880189 /nfs/dbraw/zinc/88/01/89/767880189.db2.gz LDOKCKIMLWNPMD-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C ZINC001155814481 760179157 /nfs/dbraw/zinc/17/91/57/760179157.db2.gz YDUMDRNSNYTHEX-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001068145868 760240893 /nfs/dbraw/zinc/24/08/93/760240893.db2.gz JOABEOVXTYPIOA-UHFFFAOYSA-N 1 3 323.441 0.601 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001068145868 760240902 /nfs/dbraw/zinc/24/09/02/760240902.db2.gz JOABEOVXTYPIOA-UHFFFAOYSA-N 1 3 323.441 0.601 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530642 760715230 /nfs/dbraw/zinc/71/52/30/760715230.db2.gz GMIQTFJLAHUDIC-UHFFFAOYSA-N 1 3 324.425 0.690 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001148458987 767988939 /nfs/dbraw/zinc/98/89/39/767988939.db2.gz ZYIHHHRUJGJEMF-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001148458987 767988945 /nfs/dbraw/zinc/98/89/45/767988945.db2.gz ZYIHHHRUJGJEMF-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129370694 761107295 /nfs/dbraw/zinc/10/72/95/761107295.db2.gz XTKHDGZNRCFKGA-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129370694 761107301 /nfs/dbraw/zinc/10/73/01/761107301.db2.gz XTKHDGZNRCFKGA-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070212982 761137956 /nfs/dbraw/zinc/13/79/56/761137956.db2.gz BYFGANRORBMAIQ-ILXRZTDVSA-N 1 3 322.457 0.616 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001148577732 768019848 /nfs/dbraw/zinc/01/98/48/768019848.db2.gz AQFMALCTRJWYAR-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001148577732 768019851 /nfs/dbraw/zinc/01/98/51/768019851.db2.gz AQFMALCTRJWYAR-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCOC[C@H]1CCCCO1 ZINC001148643362 768022583 /nfs/dbraw/zinc/02/25/83/768022583.db2.gz WWCBCMZLPSMMLC-OAHLLOKOSA-N 1 3 315.458 0.620 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070754681 761432313 /nfs/dbraw/zinc/43/23/13/761432313.db2.gz QMXORQZBIFGDKS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070754681 761432317 /nfs/dbraw/zinc/43/23/17/761432317.db2.gz QMXORQZBIFGDKS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070754619 761432406 /nfs/dbraw/zinc/43/24/06/761432406.db2.gz OPIJLVPKKGWKPH-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070754619 761432409 /nfs/dbraw/zinc/43/24/09/761432409.db2.gz OPIJLVPKKGWKPH-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001071019826 761589421 /nfs/dbraw/zinc/58/94/21/761589421.db2.gz DUEDEADQYYGLGD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001071343646 761787903 /nfs/dbraw/zinc/78/79/03/761787903.db2.gz BQIVTGMWEWJTMU-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086551641 761829334 /nfs/dbraw/zinc/82/93/34/761829334.db2.gz HQYDTHNZSXBKLM-UMVBOHGHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086551641 761829345 /nfs/dbraw/zinc/82/93/45/761829345.db2.gz HQYDTHNZSXBKLM-UMVBOHGHSA-N 1 3 306.410 0.919 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071416530 761832804 /nfs/dbraw/zinc/83/28/04/761832804.db2.gz VKMGPLMLSFKJHG-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001071416530 761832810 /nfs/dbraw/zinc/83/28/10/761832810.db2.gz VKMGPLMLSFKJHG-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC[N@@H+]1C ZINC001099254747 762846941 /nfs/dbraw/zinc/84/69/41/762846941.db2.gz WCHZWWWLTWIGDU-DDHJBXDOSA-N 1 3 323.359 0.298 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC[N@H+]1C ZINC001099254747 762846951 /nfs/dbraw/zinc/84/69/51/762846951.db2.gz WCHZWWWLTWIGDU-DDHJBXDOSA-N 1 3 323.359 0.298 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099307319 762860984 /nfs/dbraw/zinc/86/09/84/762860984.db2.gz NPGMFNKYVFGBKC-QJPTWQEYSA-N 1 3 323.359 0.299 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099307319 762860991 /nfs/dbraw/zinc/86/09/91/762860991.db2.gz NPGMFNKYVFGBKC-QJPTWQEYSA-N 1 3 323.359 0.299 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129410023 762931136 /nfs/dbraw/zinc/93/11/36/762931136.db2.gz BIBVQZQWVIMSKM-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129410023 762931140 /nfs/dbraw/zinc/93/11/40/762931140.db2.gz BIBVQZQWVIMSKM-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)N1CCCCC1 ZINC001129449897 762937817 /nfs/dbraw/zinc/93/78/17/762937817.db2.gz RNIREWUBSMSEBI-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(=O)N1CCCCC1 ZINC001129449898 762937916 /nfs/dbraw/zinc/93/79/16/762937916.db2.gz RNIREWUBSMSEBI-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC001129450237 762938177 /nfs/dbraw/zinc/93/81/77/762938177.db2.gz YBEBTOXCGHPMBN-CVEARBPZSA-N 1 3 323.412 0.905 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435139 762942818 /nfs/dbraw/zinc/94/28/18/762942818.db2.gz BVTQEIIUTSVTKL-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437041 762943385 /nfs/dbraw/zinc/94/33/85/762943385.db2.gz VAJHXENFIKBRON-SWLSCSKDSA-N 1 3 312.458 0.193 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129841838 763021387 /nfs/dbraw/zinc/02/13/87/763021387.db2.gz PUZOMHBGMCRXIA-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129841838 763021392 /nfs/dbraw/zinc/02/13/92/763021392.db2.gz PUZOMHBGMCRXIA-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001129855572 763025129 /nfs/dbraw/zinc/02/51/29/763025129.db2.gz HIYIAUZERBVQOK-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001129855572 763025133 /nfs/dbraw/zinc/02/51/33/763025133.db2.gz HIYIAUZERBVQOK-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856344 763026056 /nfs/dbraw/zinc/02/60/56/763026056.db2.gz PSNHLKYVIZSJFV-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856344 763026063 /nfs/dbraw/zinc/02/60/63/763026063.db2.gz PSNHLKYVIZSJFV-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O)[NH+](C)C ZINC001129949963 763055108 /nfs/dbraw/zinc/05/51/08/763055108.db2.gz LVSYFGJWMCDKOG-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1O)C1CCC1 ZINC001099879680 763095666 /nfs/dbraw/zinc/09/56/66/763095666.db2.gz OBTAFRVADFXUHO-CVEARBPZSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O)C1CCC1 ZINC001099879680 763095668 /nfs/dbraw/zinc/09/56/68/763095668.db2.gz OBTAFRVADFXUHO-CVEARBPZSA-N 1 3 309.454 0.822 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186560 763165514 /nfs/dbraw/zinc/16/55/14/763165514.db2.gz ISJAPANUMDBBEQ-CVEARBPZSA-N 1 3 319.453 0.951 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186560 763165521 /nfs/dbraw/zinc/16/55/21/763165521.db2.gz ISJAPANUMDBBEQ-CVEARBPZSA-N 1 3 319.453 0.951 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCCO[C@H]1CCOC1)N(C)C ZINC001130205051 763178272 /nfs/dbraw/zinc/17/82/72/763178272.db2.gz FIPOCDVYJFZJTI-UONOGXRCSA-N 1 3 301.431 0.228 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001130200593 763183970 /nfs/dbraw/zinc/18/39/70/763183970.db2.gz KQBYIEGXAGUXGY-VXGBXAGGSA-N 1 3 300.447 0.336 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001099987378 763189962 /nfs/dbraw/zinc/18/99/62/763189962.db2.gz ZDJUWACLKDUEBW-IRXDYDNUSA-N 1 3 319.449 0.998 20 0 DCADHO CCOCCN1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076220 763285309 /nfs/dbraw/zinc/28/53/09/763285309.db2.gz IBIWWEVNWNXHBL-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001130425389 763296527 /nfs/dbraw/zinc/29/65/27/763296527.db2.gz XCTQZJBHJABEJJ-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN(C)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001130446669 763311792 /nfs/dbraw/zinc/31/17/92/763311792.db2.gz ONUQEPDKTKOGPJ-ZDUSSCGKSA-N 1 3 323.441 0.149 20 0 DCADHO CCCN(C)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130446669 763311796 /nfs/dbraw/zinc/31/17/96/763311796.db2.gz ONUQEPDKTKOGPJ-ZDUSSCGKSA-N 1 3 323.441 0.149 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001100442664 763581767 /nfs/dbraw/zinc/58/17/67/763581767.db2.gz QFLAIURCKFLHGD-JXQTWKCFSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccnn3C)C2)C1 ZINC001100678754 763721278 /nfs/dbraw/zinc/72/12/78/763721278.db2.gz VVDUUMWHHXYXTM-NFOMZHRRSA-N 1 3 319.453 0.746 20 0 DCADHO CC1CC(C[NH2+]CCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001131521906 763841691 /nfs/dbraw/zinc/84/16/91/763841691.db2.gz LIIKSXQKXBPITJ-UZZMVUAXSA-N 1 3 307.438 0.602 20 0 DCADHO O=C(NCC[NH2+]CC1CCCC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520471 763844472 /nfs/dbraw/zinc/84/44/72/763844472.db2.gz YXAYMGWZMXUVBI-ISXOHVOVSA-N 1 3 307.438 0.746 20 0 DCADHO O=C(NCC[NH2+]CCC(F)(F)F)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520369 763845230 /nfs/dbraw/zinc/84/52/30/763845230.db2.gz XIQRQAFIZQXIJC-AKJDGMEZSA-N 1 3 321.343 0.508 20 0 DCADHO C[C@H](Nc1ccc2c(C3C[NH2+]C3)ncn2c1)[C@H]1CNCCO1 ZINC001170566852 763853647 /nfs/dbraw/zinc/85/36/47/763853647.db2.gz HTFKHDGYCYKDGN-XHDPSFHLSA-N 1 3 301.394 0.810 20 0 DCADHO CCN1CC[C@@H]([NH2+]C2CC(CNC(=O)CN(C)C(C)C)C2)C1=O ZINC001101036510 763930604 /nfs/dbraw/zinc/93/06/04/763930604.db2.gz RFNMRUSOXOLFLJ-YMAMQOFZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)(C[NH2+]CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001101579657 764172612 /nfs/dbraw/zinc/17/26/12/764172612.db2.gz QKYXNNREFLHFSK-UHFFFAOYSA-N 1 3 308.426 0.799 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479035 764452525 /nfs/dbraw/zinc/45/25/25/764452525.db2.gz OXIXNUVORCKBBZ-ZFWWWQNUSA-N 1 3 315.433 0.439 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479035 764452531 /nfs/dbraw/zinc/45/25/31/764452531.db2.gz OXIXNUVORCKBBZ-ZFWWWQNUSA-N 1 3 315.433 0.439 20 0 DCADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290519 764579203 /nfs/dbraw/zinc/57/92/03/764579203.db2.gz HZHMQIOEOOYKSX-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCN1CC[C@@H](N2C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102320645 764596478 /nfs/dbraw/zinc/59/64/78/764596478.db2.gz MUJAONULWBKTPT-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330252 764601348 /nfs/dbraw/zinc/60/13/48/764601348.db2.gz KUANJHOJLBCDJK-UMVBOHGHSA-N 1 3 312.458 0.003 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2cncn2C)C1 ZINC001132736910 764614575 /nfs/dbraw/zinc/61/45/75/764614575.db2.gz FYSMVUDOLKABNE-AWEZNQCLSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2cncn2C)C1 ZINC001132736910 764614580 /nfs/dbraw/zinc/61/45/80/764614580.db2.gz FYSMVUDOLKABNE-AWEZNQCLSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCN(CC)C2=O)C1 ZINC001132738371 764616216 /nfs/dbraw/zinc/61/62/16/764616216.db2.gz AECXVTUAJQMIFC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCN(CC)C2=O)C1 ZINC001132738371 764616225 /nfs/dbraw/zinc/61/62/25/764616225.db2.gz AECXVTUAJQMIFC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C)N(C)C ZINC001102381952 764621764 /nfs/dbraw/zinc/62/17/64/764621764.db2.gz JPMJGVMEZFBSLD-KFWWJZLASA-N 1 3 322.457 0.302 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C)N(C)C ZINC001102381952 764621767 /nfs/dbraw/zinc/62/17/67/764621767.db2.gz JPMJGVMEZFBSLD-KFWWJZLASA-N 1 3 322.457 0.302 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1C ZINC001102475245 764658227 /nfs/dbraw/zinc/65/82/27/764658227.db2.gz FWQLBXZSUCGGMS-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001102475245 764658231 /nfs/dbraw/zinc/65/82/31/764658231.db2.gz FWQLBXZSUCGGMS-KFWWJZLASA-N 1 3 315.458 0.020 20 0 DCADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520791 764676545 /nfs/dbraw/zinc/67/65/45/764676545.db2.gz BANVUKJLLXHQEJ-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888310 764710692 /nfs/dbraw/zinc/71/06/92/764710692.db2.gz MBWKCGGQFXMCMX-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001132882805 764718877 /nfs/dbraw/zinc/71/88/77/764718877.db2.gz JDLJEVCZXUOOFT-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001132882805 764718883 /nfs/dbraw/zinc/71/88/83/764718883.db2.gz JDLJEVCZXUOOFT-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001133051280 764802109 /nfs/dbraw/zinc/80/21/09/764802109.db2.gz CEDAQHUOEBIMAA-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)N(C(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C)C(C)C ZINC001133291143 764908591 /nfs/dbraw/zinc/90/85/91/764908591.db2.gz KNCIAHKXUZPMOT-AWEZNQCLSA-N 1 3 314.474 0.678 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)N1CCCCCCC1 ZINC001133291639 764910025 /nfs/dbraw/zinc/91/00/25/764910025.db2.gz UKMJFMTTWNXGQA-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088543 764939799 /nfs/dbraw/zinc/93/97/99/764939799.db2.gz HEUPKNLZPCEDPO-FVQBIDKESA-N 1 3 311.470 0.783 20 0 DCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103088543 764939805 /nfs/dbraw/zinc/93/98/05/764939805.db2.gz HEUPKNLZPCEDPO-FVQBIDKESA-N 1 3 311.470 0.783 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C)N(C)C ZINC001103138365 764957065 /nfs/dbraw/zinc/95/70/65/764957065.db2.gz HCQJYXWTYBKAKF-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C)N(C)C ZINC001103138365 764957070 /nfs/dbraw/zinc/95/70/70/764957070.db2.gz HCQJYXWTYBKAKF-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)N(CC)CC)[NH+](CC)CC ZINC001133685603 765092826 /nfs/dbraw/zinc/09/28/26/765092826.db2.gz XDODBPZGDFWVCM-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103755738 765120724 /nfs/dbraw/zinc/12/07/24/765120724.db2.gz OJHFNXYQRIANJN-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103755738 765120729 /nfs/dbraw/zinc/12/07/29/765120729.db2.gz OJHFNXYQRIANJN-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001133820015 765151245 /nfs/dbraw/zinc/15/12/45/765151245.db2.gz VRRYIDULWILXIR-QWRGUYRKSA-N 1 3 311.348 0.490 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC001133850881 765170922 /nfs/dbraw/zinc/17/09/22/765170922.db2.gz QHNDVRLBLGQNPI-CJNGLKHVSA-N 1 3 323.412 0.907 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC001133845742 765178890 /nfs/dbraw/zinc/17/88/90/765178890.db2.gz MNXUIEXUJLANAQ-GDBMZVCRSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC001133846322 765179955 /nfs/dbraw/zinc/17/99/55/765179955.db2.gz YSICXUMVDGOMIN-AWEZNQCLSA-N 1 3 305.422 0.727 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@@H]2C[C@]23CCOC3)C1 ZINC001133896085 765213461 /nfs/dbraw/zinc/21/34/61/765213461.db2.gz CAKLSNBJRPNXCW-YOEHRIQHSA-N 1 3 309.454 0.851 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+]C[C@@H](O)COC)N(C)C ZINC001178815580 770883665 /nfs/dbraw/zinc/88/36/65/770883665.db2.gz FCTGJUWBOBIQSG-HUUCEWRRSA-N 1 3 317.474 0.600 20 0 DCADHO CC[C@H](F)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020437 765289370 /nfs/dbraw/zinc/28/93/70/765289370.db2.gz AQGROSJOPHSBHK-KBPBESRZSA-N 1 3 303.422 0.941 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001114998925 765549375 /nfs/dbraw/zinc/54/93/75/765549375.db2.gz ZGYXQDSTPQKWJI-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001114998925 765549380 /nfs/dbraw/zinc/54/93/80/765549380.db2.gz ZGYXQDSTPQKWJI-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(=O)NC1CC1)C(C)C ZINC001135478247 765949926 /nfs/dbraw/zinc/94/99/26/765949926.db2.gz YNAXUQGYYKABKB-OAHLLOKOSA-N 1 3 312.458 0.337 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1ccnn1C)C(C)C ZINC001135477345 765949963 /nfs/dbraw/zinc/94/99/63/765949963.db2.gz CYWLQSBQAHRFIG-OAHLLOKOSA-N 1 3 309.458 0.992 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001135512924 765966610 /nfs/dbraw/zinc/96/66/10/765966610.db2.gz BOFQTHLGHHAKLL-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001135977166 766198010 /nfs/dbraw/zinc/19/80/10/766198010.db2.gz QGPGTIVMIIRNQK-KGLIPLIRSA-N 1 3 314.474 0.726 20 0 DCADHO N[C@@H](CCC[NH3+])Nc1cn(Cc2cccc(F)c2)c(=O)cn1 ZINC001170904226 766252584 /nfs/dbraw/zinc/25/25/84/766252584.db2.gz MFQYXUPKHTVFQO-CYBMUJFWSA-N 1 3 305.357 0.866 20 0 DCADHO CC[C@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC001118198269 766252975 /nfs/dbraw/zinc/25/29/75/766252975.db2.gz UGLGFBOKDDFTPL-PBHICJAKSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](O)C1 ZINC001090575863 766332550 /nfs/dbraw/zinc/33/25/50/766332550.db2.gz IJEUVJGCGHJBTH-DLBZAZTESA-N 1 3 319.449 0.976 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119353141 766642378 /nfs/dbraw/zinc/64/23/78/766642378.db2.gz XYRKGIWTYRCZCO-XUXIUFHCSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC001119427063 766675398 /nfs/dbraw/zinc/67/53/98/766675398.db2.gz DHEHGBSWPSPKLJ-RQJABVFESA-N 1 3 310.442 0.077 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120430517 767008109 /nfs/dbraw/zinc/00/81/09/767008109.db2.gz LCFYXALYPSSOIF-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160706037 767038998 /nfs/dbraw/zinc/03/89/98/767038998.db2.gz VTIPEBYMNLPDPH-GHMZBOCLSA-N 1 3 321.343 0.650 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160706037 767039007 /nfs/dbraw/zinc/03/90/07/767039007.db2.gz VTIPEBYMNLPDPH-GHMZBOCLSA-N 1 3 321.343 0.650 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)NC2(CO)CC[NH+](C)CC2)c1 ZINC001144942959 767277552 /nfs/dbraw/zinc/27/75/52/767277552.db2.gz CXINUYUCTBLRRH-HNNXBMFYSA-N 1 3 321.421 0.138 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1ccccc1CN(C)C ZINC001146581480 767483249 /nfs/dbraw/zinc/48/32/49/767483249.db2.gz CDOHSHXWLNMKKO-STQMWFEESA-N 1 3 320.437 0.720 20 0 DCADHO [NH3+]CCCSCCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001122536245 767827337 /nfs/dbraw/zinc/82/73/37/767827337.db2.gz WIPQWCZXBHUTFS-ZIAGYGMSSA-N 1 3 315.483 0.516 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001203005615 768513866 /nfs/dbraw/zinc/51/38/66/768513866.db2.gz RGDADCFNIZLSMF-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C23CCC3)CCC1 ZINC001203027115 768527464 /nfs/dbraw/zinc/52/74/64/768527464.db2.gz CONXOLQPDGNMOR-KBPBESRZSA-N 1 3 309.454 0.870 20 0 DCADHO CN1CCN(CCC(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001143237676 768699917 /nfs/dbraw/zinc/69/99/17/768699917.db2.gz PSGKALUYDXRWGZ-PHZGNYQRSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCN(CCC(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001143237676 768699919 /nfs/dbraw/zinc/69/99/19/768699919.db2.gz PSGKALUYDXRWGZ-PHZGNYQRSA-N 1 3 308.470 0.755 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)OC)CCCO1 ZINC001150480256 769107345 /nfs/dbraw/zinc/10/73/45/769107345.db2.gz JHLABTQZNJVQRA-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)OC)CCCO1 ZINC001150480256 769107347 /nfs/dbraw/zinc/10/73/47/769107347.db2.gz JHLABTQZNJVQRA-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](C)OC)CCCO1 ZINC001150546834 769119974 /nfs/dbraw/zinc/11/99/74/769119974.db2.gz JWHDZAXHCNZCIE-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](C)OC)CCCO1 ZINC001150546834 769119979 /nfs/dbraw/zinc/11/99/79/769119979.db2.gz JWHDZAXHCNZCIE-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151043996 769244378 /nfs/dbraw/zinc/24/43/78/769244378.db2.gz KAYBTZHBXXCENP-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151043996 769244384 /nfs/dbraw/zinc/24/43/84/769244384.db2.gz KAYBTZHBXXCENP-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065508 769248678 /nfs/dbraw/zinc/24/86/78/769248678.db2.gz KMVROOHSGRXDTA-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065508 769248685 /nfs/dbraw/zinc/24/86/85/769248685.db2.gz KMVROOHSGRXDTA-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+]1CCN(c2ccc(CN3CCOC[C@@](C)(O)C3)cn2)CC1 ZINC001232360168 769307636 /nfs/dbraw/zinc/30/76/36/769307636.db2.gz BWFMNZMUEKHXKS-KRWDZBQOSA-N 1 3 320.437 0.417 20 0 DCADHO C[NH+]1CCN(c2ccc(CN3CC[C@H](F)[C@@H](O)C3)cn2)CC1 ZINC001232361567 769310761 /nfs/dbraw/zinc/31/07/61/769310761.db2.gz ZOKXCMZXAOIHEU-GJZGRUSLSA-N 1 3 308.401 0.738 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001171763174 769371425 /nfs/dbraw/zinc/37/14/25/769371425.db2.gz TWUFKWFWSXUKDA-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172158106 769446672 /nfs/dbraw/zinc/44/66/72/769446672.db2.gz AYIYKDSOGSZVOR-HZPDHXFCSA-N 1 3 308.470 0.755 20 0 DCADHO [NH3+]CCN1CCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172666271 769494678 /nfs/dbraw/zinc/49/46/78/769494678.db2.gz UQFXBXVFGRLKKY-QGZVFWFLSA-N 1 3 316.449 0.754 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152348223 769532253 /nfs/dbraw/zinc/53/22/53/769532253.db2.gz MQWSEQFXEORVNN-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001152459146 769565698 /nfs/dbraw/zinc/56/56/98/769565698.db2.gz ZTRCAHUWVRSLOR-ZIAGYGMSSA-N 1 3 320.441 0.346 20 0 DCADHO O=C1CCC[C@@]2(C[NH2+]CCN(Cc3ccc4n3CCNC4)C2)N1 ZINC001235177579 769773583 /nfs/dbraw/zinc/77/35/83/769773583.db2.gz QXPFLZIBDHJHLV-KRWDZBQOSA-N 1 3 317.437 0.035 20 0 DCADHO Cn1ccnc1C(=O)N[C@H]1CN(CCCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001235624265 769915083 /nfs/dbraw/zinc/91/50/83/769915083.db2.gz IXWCXEPVEBTRQE-BFHYXJOUSA-N 1 3 321.425 0.121 20 0 DCADHO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2C[C@H]2CNCCO2)c1 ZINC001237435999 770040208 /nfs/dbraw/zinc/04/02/08/770040208.db2.gz MVNPNTAIEIULAW-CVEARBPZSA-N 1 3 319.405 0.408 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C ZINC001176284764 770061010 /nfs/dbraw/zinc/06/10/10/770061010.db2.gz JXOGNDSEKRPTPK-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)NC1CCN(C2CCC2)CC1 ZINC001238595497 770119671 /nfs/dbraw/zinc/11/96/71/770119671.db2.gz OBRWCLICRIZWMC-UHFFFAOYSA-N 1 3 315.483 0.922 20 0 DCADHO COc1ccccc1C1(NS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238815744 770131714 /nfs/dbraw/zinc/13/17/14/770131714.db2.gz NPWTWPTVAVUVPS-UHFFFAOYSA-N 1 3 313.423 0.152 20 0 DCADHO CC(C)CN1CC[C@H](NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238808785 770131760 /nfs/dbraw/zinc/13/17/60/770131760.db2.gz VIONJZPXXGKBCF-AWEZNQCLSA-N 1 3 303.472 0.636 20 0 DCADHO [NH3+]CCCC[NH2+]CCC[N-]S(=O)(=O)c1cnccc1Cl ZINC001238878720 770139850 /nfs/dbraw/zinc/13/98/50/770139850.db2.gz CIBSBNZEPHXOEW-UHFFFAOYSA-N 1 3 320.846 0.732 20 0 DCADHO NCCS(=O)(=O)N(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001239142187 770193875 /nfs/dbraw/zinc/19/38/75/770193875.db2.gz TYGRHVJAQZSQCX-CQSZACIVSA-N 1 3 315.414 0.668 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)CCC[NH+]1CCCC1 ZINC001176880398 770205879 /nfs/dbraw/zinc/20/58/79/770205879.db2.gz WRXDBYGJMIWZFH-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO S=C(NC[C@H]1CCCO1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363828 770211329 /nfs/dbraw/zinc/21/13/29/770211329.db2.gz QBKWMFYPNXMJNW-QWHCGFSZSA-N 1 3 312.483 0.504 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986196 770272159 /nfs/dbraw/zinc/27/21/59/770272159.db2.gz HITOQODOVBZDRD-ZDUSSCGKSA-N 1 3 300.447 0.337 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176986362 770273875 /nfs/dbraw/zinc/27/38/75/770273875.db2.gz LUVQFNGPAOJZBX-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(CCN1CCCC1=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155006083 770367354 /nfs/dbraw/zinc/36/73/54/770367354.db2.gz ZXLMYDLHTXDNKB-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](O)COC ZINC001156530706 770848471 /nfs/dbraw/zinc/84/84/71/770848471.db2.gz UNAUSVUSOWDGEL-KGLIPLIRSA-N 1 3 303.447 0.162 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](O)COC ZINC001156530706 770848483 /nfs/dbraw/zinc/84/84/83/770848483.db2.gz UNAUSVUSOWDGEL-KGLIPLIRSA-N 1 3 303.447 0.162 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)C1 ZINC001179388711 771002574 /nfs/dbraw/zinc/00/25/74/771002574.db2.gz OKIHHIXPXKVXDH-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)C1 ZINC001179388711 771002581 /nfs/dbraw/zinc/00/25/81/771002581.db2.gz OKIHHIXPXKVXDH-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)CCC[NH+](C)C ZINC001179439000 771005312 /nfs/dbraw/zinc/00/53/12/771005312.db2.gz CUYJHPCURVIMPV-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)[C@@H]1C ZINC001179763314 771013774 /nfs/dbraw/zinc/01/37/74/771013774.db2.gz GUHVKCXTLFWGFR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179968403 771048486 /nfs/dbraw/zinc/04/84/86/771048486.db2.gz UCSAQGBLSXEADB-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180135265 771060764 /nfs/dbraw/zinc/06/07/64/771060764.db2.gz DRTYNZJRVGXDJH-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+]1CCC(O)(C(=O)NCCc2c[nH]c3ccncc23)CC1 ZINC001182036685 771393454 /nfs/dbraw/zinc/39/34/54/771393454.db2.gz VERSKODWSNKDPS-UHFFFAOYSA-N 1 3 302.378 0.678 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc2c(s1)CNCC2 ZINC001157354667 771594004 /nfs/dbraw/zinc/59/40/04/771594004.db2.gz JBSZYWBKGYJIRX-NSHDSACASA-N 1 3 324.450 0.367 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1)C1CCC1 ZINC001183288756 771632923 /nfs/dbraw/zinc/63/29/23/771632923.db2.gz NHSNTJOUEAVBGT-GFCCVEGCSA-N 1 3 319.396 0.943 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001157716128 771657841 /nfs/dbraw/zinc/65/78/41/771657841.db2.gz KZFVHWJTNXDTBF-XHSDSOJGSA-N 1 3 303.406 0.784 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1)N(C)C ZINC001183581513 771670857 /nfs/dbraw/zinc/67/08/57/771670857.db2.gz LMSOXGYXTYEAPN-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO N[C@H](C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1CO)C1CC[NH2+]CC1 ZINC001157905981 771690721 /nfs/dbraw/zinc/69/07/21/771690721.db2.gz XSNRUXLGWVSJGX-UTUOFQBUSA-N 1 3 323.359 0.475 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183773698 771699467 /nfs/dbraw/zinc/69/94/67/771699467.db2.gz SUQDFTWIFFBONU-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183773698 771699469 /nfs/dbraw/zinc/69/94/69/771699469.db2.gz SUQDFTWIFFBONU-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CN1CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)N2CCCCC2)C1=O ZINC001158080152 771722842 /nfs/dbraw/zinc/72/28/42/771722842.db2.gz ZGNKNMUWGXYZPR-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168571 771733634 /nfs/dbraw/zinc/73/36/34/771733634.db2.gz IGBLHMRIWWTHCZ-STQMWFEESA-N 1 3 308.426 0.069 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169709 771733653 /nfs/dbraw/zinc/73/36/53/771733653.db2.gz RNIYWRKXGPIOEP-KBPBESRZSA-N 1 3 324.469 0.609 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001158197489 771738831 /nfs/dbraw/zinc/73/88/31/771738831.db2.gz XVIXCDUVGYYNDA-MRXNPFEDSA-N 1 3 319.453 0.841 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319835 771758821 /nfs/dbraw/zinc/75/88/21/771758821.db2.gz NMWWWZCRYHUIOC-KBPBESRZSA-N 1 3 302.378 0.092 20 0 DCADHO O=C([C@@H]1C[NH2+]C[C@@H](O)C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158326975 771759902 /nfs/dbraw/zinc/75/99/02/771759902.db2.gz CHISKNJEEYJSDC-DARAHFNDSA-N 1 3 301.390 0.055 20 0 DCADHO O=C(N1C[C@H]2c3ccccc3CN[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158327707 771760262 /nfs/dbraw/zinc/76/02/62/771760262.db2.gz NGCOZGMCGQKRPU-VUNQQRPYSA-N 1 3 312.417 0.036 20 0 DCADHO C[S@@](=O)CC[C@H](N)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336513 771761192 /nfs/dbraw/zinc/76/11/92/771761192.db2.gz MMLJAIUZPODUNA-OXPGNKJZSA-N 1 3 321.446 0.180 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC001158505661 771784001 /nfs/dbraw/zinc/78/40/01/771784001.db2.gz FGRVZPKZDWLMTG-HIFRSBDPSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC001158505661 771784003 /nfs/dbraw/zinc/78/40/03/771784003.db2.gz FGRVZPKZDWLMTG-HIFRSBDPSA-N 1 3 322.409 0.442 20 0 DCADHO [NH3+]C1([C@H]2CN(C(=O)c3cncc4c3CCNC4)C[C@H]2CF)CC1 ZINC001158582764 771792720 /nfs/dbraw/zinc/79/27/20/771792720.db2.gz OMAFDFPNEWNUAQ-ABAIWWIYSA-N 1 3 318.396 0.876 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C[NH2+]CCCO ZINC001184566079 771799659 /nfs/dbraw/zinc/79/96/59/771799659.db2.gz OBGDIDLIVIOTKM-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184806974 771823564 /nfs/dbraw/zinc/82/35/64/771823564.db2.gz NJBHIBWDPWKZOU-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184859188 771838740 /nfs/dbraw/zinc/83/87/40/771838740.db2.gz XTCMKBVFGJUGIP-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001184867858 771839546 /nfs/dbraw/zinc/83/95/46/771839546.db2.gz MQQAUFALZMHPEV-MGPQQGTHSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184877097 771841296 /nfs/dbraw/zinc/84/12/96/771841296.db2.gz RHZNNJLJDCXVTC-RRFJBIMHSA-N 1 3 324.469 0.526 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185205067 771879195 /nfs/dbraw/zinc/87/91/95/771879195.db2.gz MFLWDZLUXWSIFG-CHWSQXEVSA-N 1 3 321.425 0.163 20 0 DCADHO C[C@@H](Nc1cccc(N2CCN(C)CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001159499394 771920395 /nfs/dbraw/zinc/92/03/95/771920395.db2.gz PPFNONPONWDMJQ-ZIAGYGMSSA-N 1 3 305.426 0.622 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001185651365 771939930 /nfs/dbraw/zinc/93/99/30/771939930.db2.gz ZGHBFZGZIWRFTH-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001185651365 771939933 /nfs/dbraw/zinc/93/99/33/771939933.db2.gz ZGHBFZGZIWRFTH-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001185650368 771940007 /nfs/dbraw/zinc/94/00/07/771940007.db2.gz HSYAFTYHOSKEMV-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001185650776 771940130 /nfs/dbraw/zinc/94/01/30/771940130.db2.gz MVMFBXZIGRKPBM-QWHCGFSZSA-N 1 3 319.396 0.943 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)ncn1 ZINC001159854228 771968530 /nfs/dbraw/zinc/96/85/30/771968530.db2.gz NAFPGADGAOOUQQ-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO Cc1nnsc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853238 771968549 /nfs/dbraw/zinc/96/85/49/771968549.db2.gz BBFCOIPTQJTROW-UHFFFAOYSA-N 1 3 311.455 0.927 20 0 DCADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001159863326 771969922 /nfs/dbraw/zinc/96/99/22/771969922.db2.gz RWJDMWCCDZIVDX-KBPBESRZSA-N 1 3 322.453 0.030 20 0 DCADHO Cc1nnsc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932991 771980879 /nfs/dbraw/zinc/98/08/79/771980879.db2.gz XHHVZQRTRIQQOH-ZDUSSCGKSA-N 1 3 311.455 0.783 20 0 DCADHO C[C@@H](N)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139127 772000431 /nfs/dbraw/zinc/00/04/31/772000431.db2.gz WGEYQZNARAOXQV-COMQUAJESA-N 1 3 304.394 0.529 20 0 DCADHO C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360863 772028907 /nfs/dbraw/zinc/02/89/07/772028907.db2.gz XQSKLCUTGLZVRZ-CJNGLKHVSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360863 772028913 /nfs/dbraw/zinc/02/89/13/772028913.db2.gz XQSKLCUTGLZVRZ-CJNGLKHVSA-N 1 3 309.454 0.846 20 0 DCADHO COC(=O)CCN(Cc1ccco1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160471070 772044532 /nfs/dbraw/zinc/04/45/32/772044532.db2.gz QVYUKESLZCQLED-HNNXBMFYSA-N 1 3 323.393 0.498 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001186496460 772046980 /nfs/dbraw/zinc/04/69/80/772046980.db2.gz IBUAIOYMJFRFIX-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)N1CCC([NH3+])CC1 ZINC001160515304 772055286 /nfs/dbraw/zinc/05/52/86/772055286.db2.gz CWNCHCQRADIXAE-JTQLQIEISA-N 1 3 324.347 0.112 20 0 DCADHO O=C([C@@H]1CNCCN1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698535 772098354 /nfs/dbraw/zinc/09/83/54/772098354.db2.gz LTLSYYIAPUMFAV-AWEZNQCLSA-N 1 3 300.406 0.216 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)CN3)C[C@H]2C1 ZINC001160704285 772099866 /nfs/dbraw/zinc/09/98/66/772099866.db2.gz JCLNROFQVRSNAI-USZNOCQGSA-N 1 3 305.344 0.937 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)CN3)C[C@H]2C1 ZINC001160704285 772099870 /nfs/dbraw/zinc/09/98/70/772099870.db2.gz JCLNROFQVRSNAI-USZNOCQGSA-N 1 3 305.344 0.937 20 0 DCADHO NC(C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)C(F)(F)F ZINC001160782039 772110721 /nfs/dbraw/zinc/11/07/21/772110721.db2.gz ZAIGFXKIKPPQLX-BZPMIXESSA-N 1 3 313.323 0.876 20 0 DCADHO COC(=O)C[C@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160831911 772117362 /nfs/dbraw/zinc/11/73/62/772117362.db2.gz FKUFSCUZZVZFGX-KGLIPLIRSA-N 1 3 323.437 0.662 20 0 DCADHO COC(=O)C[C@H]1CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160831911 772117366 /nfs/dbraw/zinc/11/73/66/772117366.db2.gz FKUFSCUZZVZFGX-KGLIPLIRSA-N 1 3 323.437 0.662 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001160889529 772132980 /nfs/dbraw/zinc/13/29/80/772132980.db2.gz MCESCNMLGKROET-QWHCGFSZSA-N 1 3 308.430 0.202 20 0 DCADHO Cc1cccnc1CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115974 772133329 /nfs/dbraw/zinc/13/33/29/772133329.db2.gz XIOPPUMNMLXIMQ-OAHLLOKOSA-N 1 3 320.437 0.659 20 0 DCADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001187231166 772150080 /nfs/dbraw/zinc/15/00/80/772150080.db2.gz HEQPKFZULONOAF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001187307289 772172547 /nfs/dbraw/zinc/17/25/47/772172547.db2.gz YYKORWKWGFWOLV-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001187307289 772172549 /nfs/dbraw/zinc/17/25/49/772172549.db2.gz YYKORWKWGFWOLV-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO Nc1ccc(C2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)cc1 ZINC001161191234 772182072 /nfs/dbraw/zinc/18/20/72/772182072.db2.gz KAFZOJOOXCAWEC-INIZCTEOSA-N 1 3 314.433 0.784 20 0 DCADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001161306394 772199614 /nfs/dbraw/zinc/19/96/14/772199614.db2.gz KDQISGBPTFCYDP-WHEQGISXSA-N 1 3 324.450 0.135 20 0 DCADHO N[C@H](C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC001161411828 772218593 /nfs/dbraw/zinc/21/85/93/772218593.db2.gz BESDHCVFUIYIIL-BARDWOONSA-N 1 3 323.437 0.443 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001187842485 772233185 /nfs/dbraw/zinc/23/31/85/772233185.db2.gz NSTZVBPGHGDNGJ-VXGBXAGGSA-N 1 3 323.359 0.586 20 0 DCADHO [NH3+][C@H]1CN(C(=O)c2csc([C@H]3CCCN3)n2)CC12COC2 ZINC001161509834 772237077 /nfs/dbraw/zinc/23/70/77/772237077.db2.gz LJNTVFPDQADAPH-KOLCDFICSA-N 1 3 308.407 0.367 20 0 DCADHO CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958240 772252627 /nfs/dbraw/zinc/25/26/27/772252627.db2.gz MKPQFHYGPPLIJA-QKPAOTATSA-N 1 3 309.454 0.896 20 0 DCADHO CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958240 772252632 /nfs/dbraw/zinc/25/26/32/772252632.db2.gz MKPQFHYGPPLIJA-QKPAOTATSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001188146000 772271758 /nfs/dbraw/zinc/27/17/58/772271758.db2.gz VNDOPXFMPVAWFC-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CN1CCN(c2cccc(NCCN3CCC([NH3+])CC3)n2)CC1 ZINC001161867524 772291690 /nfs/dbraw/zinc/29/16/90/772291690.db2.gz INDYAULQIKMRTC-UHFFFAOYSA-N 1 3 318.469 0.668 20 0 DCADHO CC[NH+](CC)CCNC(=N)Nc1cncc(-n2cncn2)n1 ZINC001163129020 772468693 /nfs/dbraw/zinc/46/86/93/772468693.db2.gz RTLMGIQKFGKLCN-UHFFFAOYSA-N 1 3 303.374 0.335 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cncc(-n2cncn2)n1 ZINC001163129020 772468695 /nfs/dbraw/zinc/46/86/95/772468695.db2.gz RTLMGIQKFGKLCN-UHFFFAOYSA-N 1 3 303.374 0.335 20 0 DCADHO CN1CCOc2c1cnnc2NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163163150 772475383 /nfs/dbraw/zinc/47/53/83/772475383.db2.gz HVUKSANGWYNPOU-NQBHXWOUSA-N 1 3 305.382 0.342 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189477604 772478231 /nfs/dbraw/zinc/47/82/31/772478231.db2.gz IBNCVXZVKOZESH-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001189477604 772478233 /nfs/dbraw/zinc/47/82/33/772478233.db2.gz IBNCVXZVKOZESH-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(=O)N(C)C ZINC001203713702 772591138 /nfs/dbraw/zinc/59/11/38/772591138.db2.gz APJXNKZKVYYWGK-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(OC2COC2)c(F)c1 ZINC001190484940 772630902 /nfs/dbraw/zinc/63/09/02/772630902.db2.gz XYFXFDAWMCMQMX-UHFFFAOYSA-N 1 3 324.356 0.678 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC001190996736 772712403 /nfs/dbraw/zinc/71/24/03/772712403.db2.gz IOTSOPBZNRAAFP-AWEZNQCLSA-N 1 3 322.457 0.541 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC001190996736 772712407 /nfs/dbraw/zinc/71/24/07/772712407.db2.gz IOTSOPBZNRAAFP-AWEZNQCLSA-N 1 3 322.457 0.541 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165484257 772742059 /nfs/dbraw/zinc/74/20/59/772742059.db2.gz BVCNOQWZZPUYKB-GXTWGEPZSA-N 1 3 324.469 0.337 20 0 DCADHO C[NH+]1CCC(C(=O)NCCCNCc2cc3n(n2)CCC3)CC1 ZINC001165776035 772761698 /nfs/dbraw/zinc/76/16/98/772761698.db2.gz DSFBAWBMMMBTTH-UHFFFAOYSA-N 1 3 319.453 0.767 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010189 772778545 /nfs/dbraw/zinc/77/85/45/772778545.db2.gz KBQKMKFAHPKLMO-ZIAGYGMSSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001166010891 772778725 /nfs/dbraw/zinc/77/87/25/772778725.db2.gz UDNRLMFZRPDLJL-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001166626337 772830309 /nfs/dbraw/zinc/83/03/09/772830309.db2.gz DLQDFNUBALCTHP-CYBMUJFWSA-N 1 3 319.471 0.001 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCCCC1 ZINC001166633320 772832499 /nfs/dbraw/zinc/83/24/99/772832499.db2.gz DCTLZZKVYLPRDL-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)nn1 ZINC001166668356 772837529 /nfs/dbraw/zinc/83/75/29/772837529.db2.gz ZRUUBSTXHNAFLE-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677774 772839041 /nfs/dbraw/zinc/83/90/41/772839041.db2.gz MVBGIRDWXLCTAZ-CQSZACIVSA-N 1 3 312.458 0.196 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166707025 772844951 /nfs/dbraw/zinc/84/49/51/772844951.db2.gz CGLFLYXBMQRHGR-JSGCOSHPSA-N 1 3 308.430 0.092 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707025 772844956 /nfs/dbraw/zinc/84/49/56/772844956.db2.gz CGLFLYXBMQRHGR-JSGCOSHPSA-N 1 3 308.430 0.092 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCn2cccn2)C1 ZINC001166744042 772854756 /nfs/dbraw/zinc/85/47/56/772854756.db2.gz FDZYWJANKQWADD-UHFFFAOYSA-N 1 3 307.442 0.711 20 0 DCADHO Cn1nccc1CC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764420 772857390 /nfs/dbraw/zinc/85/73/90/772857390.db2.gz BRGFNFNPYQYXAV-UHFFFAOYSA-N 1 3 321.469 0.790 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001166865977 772872512 /nfs/dbraw/zinc/87/25/12/772872512.db2.gz KCJNYFUYFMNZDY-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CN(CCO[C@H]1CC1(F)F)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169649 772878363 /nfs/dbraw/zinc/87/83/63/772878363.db2.gz BVYBVQQKMZJDTK-OLZOCXBDSA-N 1 3 319.396 0.895 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC001203437179 772906923 /nfs/dbraw/zinc/90/69/23/772906923.db2.gz DGUULNCSXHDDBZ-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925659 772929937 /nfs/dbraw/zinc/92/99/37/772929937.db2.gz UBJZYPWIRPPOTN-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469747 772994346 /nfs/dbraw/zinc/99/43/46/772994346.db2.gz WHZJOMWAOZCKLO-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccn(CC2CC2)c1=O ZINC001194594789 773212720 /nfs/dbraw/zinc/21/27/20/773212720.db2.gz DPQHIOLVHZUDJB-UHFFFAOYSA-N 1 3 305.382 0.333 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014032 773372250 /nfs/dbraw/zinc/37/22/50/773372250.db2.gz LNVYFQSEMAHIEP-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014032 773372257 /nfs/dbraw/zinc/37/22/57/773372257.db2.gz LNVYFQSEMAHIEP-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339531 773436960 /nfs/dbraw/zinc/43/69/60/773436960.db2.gz BDGONUHNTACTFK-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001208411628 773455817 /nfs/dbraw/zinc/45/58/17/773455817.db2.gz ZHYSECOSZOTFRI-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208717689 773520067 /nfs/dbraw/zinc/52/00/67/773520067.db2.gz MNLCAZKDCVNISZ-HOCLYGCPSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919412 773539371 /nfs/dbraw/zinc/53/93/71/773539371.db2.gz RGUVDVWCYAWOSL-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[N@@H+]1CCCC12CCN(CCCOCOC)CC2 ZINC001209024739 773552605 /nfs/dbraw/zinc/55/26/05/773552605.db2.gz IMKXEWUACGRVAJ-UHFFFAOYSA-N 1 3 313.442 0.673 20 0 DCADHO CNC(=O)C[N@H+]1CCCC12CCN(CCCOCOC)CC2 ZINC001209024739 773552607 /nfs/dbraw/zinc/55/26/07/773552607.db2.gz IMKXEWUACGRVAJ-UHFFFAOYSA-N 1 3 313.442 0.673 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209243750 773573829 /nfs/dbraw/zinc/57/38/29/773573829.db2.gz WIMWXBQJNWDJRP-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209243750 773573835 /nfs/dbraw/zinc/57/38/35/773573835.db2.gz WIMWXBQJNWDJRP-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCC(=O)N2CCCC2)C1 ZINC001209314992 773590125 /nfs/dbraw/zinc/59/01/25/773590125.db2.gz NKVMTMNKIFNPKB-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209444721 773605518 /nfs/dbraw/zinc/60/55/18/773605518.db2.gz IDHHRQUVHCGPPJ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209456282 773607206 /nfs/dbraw/zinc/60/72/06/773607206.db2.gz YOOOEPVEQQWIRL-DGCLKSJQSA-N 1 3 308.430 0.706 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209643819 773629533 /nfs/dbraw/zinc/62/95/33/773629533.db2.gz WOOQWPGWBVNXRE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209940051 773661147 /nfs/dbraw/zinc/66/11/47/773661147.db2.gz JIUVEDGUNNJXRY-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217120 773686561 /nfs/dbraw/zinc/68/65/61/773686561.db2.gz CVYITEAGLWDSIE-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001210219983 773687254 /nfs/dbraw/zinc/68/72/54/773687254.db2.gz VYLKJECVHMEBFJ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001210788608 773739169 /nfs/dbraw/zinc/73/91/69/773739169.db2.gz GKQYVAUHHUCOPZ-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001210797305 773740409 /nfs/dbraw/zinc/74/04/09/773740409.db2.gz RFHYINOQAFZYTP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001210797305 773740414 /nfs/dbraw/zinc/74/04/14/773740414.db2.gz RFHYINOQAFZYTP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001210796171 773740624 /nfs/dbraw/zinc/74/06/24/773740624.db2.gz DPGMKDSPZSZKFB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001210796171 773740626 /nfs/dbraw/zinc/74/06/26/773740626.db2.gz DPGMKDSPZSZKFB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211270217 773789410 /nfs/dbraw/zinc/78/94/10/773789410.db2.gz YPKNRWOGEJCGPG-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001211282860 773790157 /nfs/dbraw/zinc/79/01/57/773790157.db2.gz DSWHRGGAFPVBFM-AWEZNQCLSA-N 1 3 308.430 0.199 20 0 DCADHO CCCN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638517 773870387 /nfs/dbraw/zinc/87/03/87/773870387.db2.gz RWIUHWRNYFLPLV-HUUCEWRRSA-N 1 3 313.442 0.323 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001214634172 774004407 /nfs/dbraw/zinc/00/44/07/774004407.db2.gz DHYATXWDUPUWSJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847896 774018858 /nfs/dbraw/zinc/01/88/58/774018858.db2.gz XHOIJBPRKAZCTM-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889551 774022732 /nfs/dbraw/zinc/02/27/32/774022732.db2.gz MJRBQJLBJGEBPH-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889551 774022737 /nfs/dbraw/zinc/02/27/37/774022737.db2.gz MJRBQJLBJGEBPH-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215423289 774071927 /nfs/dbraw/zinc/07/19/27/774071927.db2.gz GBIMNHWUWXGTLQ-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453720 774073852 /nfs/dbraw/zinc/07/38/52/774073852.db2.gz OVHXRBCJBQTJBJ-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO N#Cc1ccc([C@@H](O)CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000402126528 774076336 /nfs/dbraw/zinc/07/63/36/774076336.db2.gz DVFNSVMOJHLYMK-IRXDYDNUSA-N 1 3 300.406 0.571 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754309 774133140 /nfs/dbraw/zinc/13/31/40/774133140.db2.gz OVIXOTNDCKGJPP-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754309 774133142 /nfs/dbraw/zinc/13/31/42/774133142.db2.gz OVIXOTNDCKGJPP-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CCC23CC[NH2+]CC3)cc1 ZINC001218079336 774211777 /nfs/dbraw/zinc/21/17/77/774211777.db2.gz FYHQWSVNGADQGU-GJZGRUSLSA-N 1 3 303.406 0.953 20 0 DCADHO F[C@H]1[C@H]2CC[C@@H](C[C@@H]1Oc1ccnc3c4c(nn31)CCNC4)[NH2+]2 ZINC001218282071 774219359 /nfs/dbraw/zinc/21/93/59/774219359.db2.gz ZLYPLHJLYMVCBD-AETLKFDBSA-N 1 3 317.368 0.985 20 0 DCADHO c1cc(OCCO[C@H]2CC[NH2+]C2)n2nc3c(c2n1)CNCC3 ZINC001218392170 774223289 /nfs/dbraw/zinc/22/32/89/774223289.db2.gz CWJAKDYYMMYVAW-NSHDSACASA-N 1 3 303.366 0.132 20 0 DCADHO O=C(Nc1nc(C(F)(F)F)cs1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218517430 774234909 /nfs/dbraw/zinc/23/49/09/774234909.db2.gz HJEPPFXVSDWHDS-LURJTMIESA-N 1 3 306.313 0.909 20 0 DCADHO O=C(Nc1cc(-c2ccncc2)no1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218626406 774266932 /nfs/dbraw/zinc/26/69/32/774266932.db2.gz IETNJXTYFLLBQU-MLGOLLRUSA-N 1 3 313.361 0.874 20 0 DCADHO CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cnc1C ZINC001218633517 774268554 /nfs/dbraw/zinc/26/85/54/774268554.db2.gz CHNDGXVUCXZEAP-CYBMUJFWSA-N 1 3 318.377 0.314 20 0 DCADHO O=C(Nc1nsc2ncccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218651447 774273194 /nfs/dbraw/zinc/27/31/94/774273194.db2.gz LONOPXRXFRKJBA-YMTOWFKASA-N 1 3 303.391 0.829 20 0 DCADHO CCOC(=O)c1nc(C2CC2)oc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218668820 774277692 /nfs/dbraw/zinc/27/76/92/774277692.db2.gz IZNLWPMKPQOFFS-SECBINFHSA-N 1 3 310.354 0.733 20 0 DCADHO C[C@@H]1CCc2sc(NC(=O)[C@@H]3C[C@@H](N)C[NH2+]3)c(C(N)=O)c2C1 ZINC001218706946 774284791 /nfs/dbraw/zinc/28/47/91/774284791.db2.gz DFZSBGVSAFKEAF-MRTMQBJTSA-N 1 3 322.434 0.600 20 0 DCADHO O=C(Nc1ccnn1CC(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218752455 774298007 /nfs/dbraw/zinc/29/80/07/774298007.db2.gz XNTPVYNTQYPRLA-BXKDBHETSA-N 1 3 317.315 0.583 20 0 DCADHO O=C(Nc1cncnc1C(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001218765141 774299636 /nfs/dbraw/zinc/29/96/36/774299636.db2.gz XHOJHLMGIOZZFK-SSDOTTSWSA-N 1 3 301.272 0.243 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1cnc(-n2nccn2)c(Cl)c1 ZINC001218805071 774306165 /nfs/dbraw/zinc/30/61/65/774306165.db2.gz STBWWAOCPVCHES-JTQLQIEISA-N 1 3 309.761 0.320 20 0 DCADHO O=C(Nc1ccc(-n2ccnn2)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218822930 774311266 /nfs/dbraw/zinc/31/12/66/774311266.db2.gz YWIMVEZXXHVPFO-MLGOLLRUSA-N 1 3 312.377 0.405 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001218850422 774314894 /nfs/dbraw/zinc/31/48/94/774314894.db2.gz LNZKRJDEHKDDTP-AWEZNQCLSA-N 1 3 320.393 0.164 20 0 DCADHO N[C@H]1CCCCN(CC(=O)Nc2cccc3c2C[NH2+]C3)C1=O ZINC001218992783 774344029 /nfs/dbraw/zinc/34/40/29/774344029.db2.gz FGHGGIJVOXJEIH-ZDUSSCGKSA-N 1 3 302.378 0.568 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCCO[C@@H](CNCCF)C1 ZINC001200527813 774361302 /nfs/dbraw/zinc/36/13/02/774361302.db2.gz ABGZIXHUNGMMPW-GJZGRUSLSA-N 1 3 313.417 0.505 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688764 774393708 /nfs/dbraw/zinc/39/37/08/774393708.db2.gz VSEDMLITFLQBNY-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001201321408 774487488 /nfs/dbraw/zinc/48/74/88/774487488.db2.gz JXDOVDWQQOYSMN-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)CN2CC[C@H](C)C2)CCCO1 ZINC001201402079 774500895 /nfs/dbraw/zinc/50/08/95/774500895.db2.gz ANIUYUTYQKHWOJ-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201402209 774501047 /nfs/dbraw/zinc/50/10/47/774501047.db2.gz BRJIZEVGVIJTJW-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201481830 774520985 /nfs/dbraw/zinc/52/09/85/774520985.db2.gz GWHQHIDVOSLLKA-JSGCOSHPSA-N 1 3 310.398 0.194 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)COC)C1 ZINC001201677763 774535724 /nfs/dbraw/zinc/53/57/24/774535724.db2.gz CUUMHKPPWVBYIP-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)c2cnccc2N2CCN(C)CC2)C[NH2+]1 ZINC001219590685 774548987 /nfs/dbraw/zinc/54/89/87/774548987.db2.gz RAQVFWXGXFKXCS-KBPBESRZSA-N 1 3 317.437 0.704 20 0 DCADHO Cc1cc2c(cc1CNC(=O)[C@@H](N)CCCC[NH3+])OCCO2 ZINC001219606130 774555106 /nfs/dbraw/zinc/55/51/06/774555106.db2.gz FTPCNMXDSRGJLT-ZDUSSCGKSA-N 1 3 307.394 0.839 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635850 774567903 /nfs/dbraw/zinc/56/79/03/774567903.db2.gz RUUDTTMYFFUCBK-KKUMJFAQSA-N 1 3 309.385 0.607 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC001201931140 774572738 /nfs/dbraw/zinc/57/27/38/774572738.db2.gz INOCSNXMTKMZTB-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C(=O)N2 ZINC001219687282 774579313 /nfs/dbraw/zinc/57/93/13/774579313.db2.gz KMYNZCBDYLKNPF-HYSWKAIVSA-N 1 3 314.389 0.304 20 0 DCADHO O=C(NCCC1(O)C[NH2+]C1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219696296 774582371 /nfs/dbraw/zinc/58/23/71/774582371.db2.gz GLKSTEOIBXYJEJ-LSDHHAIUSA-N 1 3 303.406 0.710 20 0 DCADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1csc2c1CCNC2 ZINC001219739021 774595367 /nfs/dbraw/zinc/59/53/67/774595367.db2.gz FMKYNXWKQMZVAQ-JTQLQIEISA-N 1 3 307.419 0.502 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCCF)C1 ZINC001202164426 774609766 /nfs/dbraw/zinc/60/97/66/774609766.db2.gz MPBSYADJGNMXGJ-AWEZNQCLSA-N 1 3 303.422 0.893 20 0 DCADHO NCc1ccc(C(=O)NCC[C@@H]2C[NH2+]Cc3cccn3C2)cn1 ZINC001219792056 774609145 /nfs/dbraw/zinc/60/91/45/774609145.db2.gz YRNYWYGQUUGMCC-CYBMUJFWSA-N 1 3 313.405 0.881 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001219943819 774653052 /nfs/dbraw/zinc/65/30/52/774653052.db2.gz ZZAUYYNSCOPGCM-INIZCTEOSA-N 1 3 315.421 0.668 20 0 DCADHO O=C(NC[C@@H](O)c1ccc(O)cc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220113095 774697473 /nfs/dbraw/zinc/69/74/73/774697473.db2.gz JTWWWKKJGDBCTN-LSDHHAIUSA-N 1 3 319.405 0.416 20 0 DCADHO O=C(NC[C@@H](O)c1ccc(O)cc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220113095 774697475 /nfs/dbraw/zinc/69/74/75/774697475.db2.gz JTWWWKKJGDBCTN-LSDHHAIUSA-N 1 3 319.405 0.416 20 0 DCADHO Cn1cc2cccc(CNC(=O)[C@@H](N)CSCC[NH3+])c2n1 ZINC001220143519 774706706 /nfs/dbraw/zinc/70/67/06/774706706.db2.gz LKJQONYMSGTAEK-LBPRGKRZSA-N 1 3 307.423 0.209 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC001220163051 774715536 /nfs/dbraw/zinc/71/55/36/774715536.db2.gz OKFTVODBRHPWLT-ZQIUZPCESA-N 1 3 322.453 0.365 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(=O)N(C)C ZINC001202495318 774721552 /nfs/dbraw/zinc/72/15/52/774721552.db2.gz DGZSOFRMLAXOBH-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CCCC1 ZINC001220217194 774737539 /nfs/dbraw/zinc/73/75/39/774737539.db2.gz PKXVWUPPHIIKGS-SJKOYZFVSA-N 1 3 321.421 0.693 20 0 DCADHO O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220261103 774748888 /nfs/dbraw/zinc/74/88/88/774748888.db2.gz QXYJZYVRBZKGPX-OCCSQVGLSA-N 1 3 303.410 0.257 20 0 DCADHO CCOC(=O)C1(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCC1 ZINC001220371243 774784077 /nfs/dbraw/zinc/78/40/77/774784077.db2.gz RDWFBBGMSGXCNN-CYBMUJFWSA-N 1 3 323.437 0.710 20 0 DCADHO CCOC(=O)C1(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCC1 ZINC001220371243 774784080 /nfs/dbraw/zinc/78/40/80/774784080.db2.gz RDWFBBGMSGXCNN-CYBMUJFWSA-N 1 3 323.437 0.710 20 0 DCADHO O=C(NCc1cccnc1N1CCCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220398809 774795889 /nfs/dbraw/zinc/79/58/89/774795889.db2.gz NOMYZXCQQXAMMA-AWEZNQCLSA-N 1 3 315.421 0.107 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC001114353485 774811321 /nfs/dbraw/zinc/81/13/21/774811321.db2.gz SOBDETPZLNGMAT-RFQIPJPRSA-N 1 3 301.406 0.359 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC001114353485 774811331 /nfs/dbraw/zinc/81/13/31/774811331.db2.gz SOBDETPZLNGMAT-RFQIPJPRSA-N 1 3 301.406 0.359 20 0 DCADHO CN(CC[NH3+])CCNC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220517682 774832743 /nfs/dbraw/zinc/83/27/43/774832743.db2.gz VXHHZPHSTSXNCM-HOTGVXAUSA-N 1 3 304.438 0.877 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)C1CC1 ZINC001114409806 774846395 /nfs/dbraw/zinc/84/63/95/774846395.db2.gz RMKIWOYVAWHTOU-HZMVEIRTSA-N 1 3 321.465 0.800 20 0 DCADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)C1CC1 ZINC001114409806 774846404 /nfs/dbraw/zinc/84/64/04/774846404.db2.gz RMKIWOYVAWHTOU-HZMVEIRTSA-N 1 3 321.465 0.800 20 0 DCADHO CN(CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)CC(C)(C)C ZINC001202526887 774864798 /nfs/dbraw/zinc/86/47/98/774864798.db2.gz SMVWIWHEWXBRCR-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(F)c1ncncc1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220670143 774883191 /nfs/dbraw/zinc/88/31/91/774883191.db2.gz GFXJCYGLEMKAHY-LLVKDONJSA-N 1 3 307.373 0.106 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[NH2+]CC1CC1 ZINC000870878411 774887743 /nfs/dbraw/zinc/88/77/43/774887743.db2.gz JAWMDEGYCFJGSH-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(CC(=O)N1CCCC1)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220687694 774890835 /nfs/dbraw/zinc/89/08/35/774890835.db2.gz RJLCLDKWNLWWIU-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO CCC/C=C/CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771316 774911550 /nfs/dbraw/zinc/91/15/50/774911550.db2.gz NNJBNKDAOYNLCC-SGFLJFKBSA-N 1 3 321.465 0.990 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC001220808802 774921863 /nfs/dbraw/zinc/92/18/63/774921863.db2.gz XAVVDXWMPMIBEO-WCBMZHEXSA-N 1 3 317.315 0.326 20 0 DCADHO C[NH2+]CCC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220900165 774947062 /nfs/dbraw/zinc/94/70/62/774947062.db2.gz CEIIDWXXVYTGLV-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO O=C(NC[C@H]1C(=O)Nc2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221309352 775063887 /nfs/dbraw/zinc/06/38/87/775063887.db2.gz PRFYSSJCLRZGRE-CJBNDPTMSA-N 1 3 314.389 0.038 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001221394677 775084973 /nfs/dbraw/zinc/08/49/73/775084973.db2.gz FHZRWIJAMXEUFQ-AAEUAGOBSA-N 1 3 300.447 0.450 20 0 DCADHO COCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424226 775114407 /nfs/dbraw/zinc/11/44/07/775114407.db2.gz JEYCMVDCDXIHRC-UGUYLWEFSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H](O)CCCN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949577 775233151 /nfs/dbraw/zinc/23/31/51/775233151.db2.gz CFSSKLXRGKTRAB-BZUAXINKSA-N 1 3 321.465 0.776 20 0 DCADHO c1ccc(N2CC[NH2+]CC2)c(CN2CC3(C2)CNCCO3)c1 ZINC001222441557 775350711 /nfs/dbraw/zinc/35/07/11/775350711.db2.gz KBMCVQUDIIECOY-UHFFFAOYSA-N 1 3 302.422 0.270 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222668426 775411531 /nfs/dbraw/zinc/41/15/31/775411531.db2.gz KKWDICLTPYAJEZ-ILXRZTDVSA-N 1 3 316.440 0.895 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222668426 775411537 /nfs/dbraw/zinc/41/15/37/775411537.db2.gz KKWDICLTPYAJEZ-ILXRZTDVSA-N 1 3 316.440 0.895 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001222789229 775427627 /nfs/dbraw/zinc/42/76/27/775427627.db2.gz IJRAVPLQPJAJBM-KFWWJZLASA-N 1 3 315.433 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001222789229 775427630 /nfs/dbraw/zinc/42/76/30/775427630.db2.gz IJRAVPLQPJAJBM-KFWWJZLASA-N 1 3 315.433 0.581 20 0 DCADHO COCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357657 777224881 /nfs/dbraw/zinc/22/48/81/777224881.db2.gz IAVWQQRUPNZKTI-WBVHZDCISA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357657 777224887 /nfs/dbraw/zinc/22/48/87/777224887.db2.gz IAVWQQRUPNZKTI-WBVHZDCISA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1)N(C)C ZINC001041645191 777406548 /nfs/dbraw/zinc/40/65/48/777406548.db2.gz JKYMNIPXDQMAGF-NVXWUHKLSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1)N(C)C ZINC001041645191 777406551 /nfs/dbraw/zinc/40/65/51/777406551.db2.gz JKYMNIPXDQMAGF-NVXWUHKLSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001317586249 945088947 /nfs/dbraw/zinc/08/89/47/945088947.db2.gz HBYVASDPBJCZGZ-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001317586249 945088955 /nfs/dbraw/zinc/08/89/55/945088955.db2.gz HBYVASDPBJCZGZ-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278026829 945101457 /nfs/dbraw/zinc/10/14/57/945101457.db2.gz BUMJJWHDJPRQGN-AWEZNQCLSA-N 1 3 305.426 0.962 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278026829 945101461 /nfs/dbraw/zinc/10/14/61/945101461.db2.gz BUMJJWHDJPRQGN-AWEZNQCLSA-N 1 3 305.426 0.962 20 0 DCADHO CN(C)C(=O)C[C@H]1C[C@@H]2CN(C[C@@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001278149013 945156198 /nfs/dbraw/zinc/15/61/98/945156198.db2.gz UVGWWUAPWGGBNF-FPCVCCKLSA-N 1 3 309.454 0.896 20 0 DCADHO CN(C)C(=O)C[C@H]1C[C@@H]2CN(C[C@@H]3CCC[N@@H+](C)C3)C[C@@H]2O1 ZINC001278149013 945156201 /nfs/dbraw/zinc/15/62/01/945156201.db2.gz UVGWWUAPWGGBNF-FPCVCCKLSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H](CO)[NH2+]CCCF)C1 ZINC001278154434 945158239 /nfs/dbraw/zinc/15/82/39/945158239.db2.gz DGGXFBGXRHPXRL-WFASDCNBSA-N 1 3 321.412 0.625 20 0 DCADHO CC[C@H](C(=O)NCCCN1CC[NH+](CC2CC2)CC1)N(C)C ZINC001266276082 939042391 /nfs/dbraw/zinc/04/23/91/939042391.db2.gz YBZGMQIJYQBRPS-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001266744436 939227283 /nfs/dbraw/zinc/22/72/83/939227283.db2.gz QVYMZZZAQKTBIK-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001481251787 939673841 /nfs/dbraw/zinc/67/38/41/939673841.db2.gz FKPCKRJHKFNYAM-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001481251787 939673844 /nfs/dbraw/zinc/67/38/44/939673844.db2.gz FKPCKRJHKFNYAM-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@@H]1CCCCN1C ZINC001481267832 939683548 /nfs/dbraw/zinc/68/35/48/939683548.db2.gz KUORLWQDIBPWQW-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001481303278 939733507 /nfs/dbraw/zinc/73/35/07/939733507.db2.gz XUVYIINKJWLFAK-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481303278 939733510 /nfs/dbraw/zinc/73/35/10/939733510.db2.gz XUVYIINKJWLFAK-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)CCC1 ZINC001481629338 939980359 /nfs/dbraw/zinc/98/03/59/939980359.db2.gz FLLUMHPFMZPNMP-RDJZCZTQSA-N 1 3 321.465 0.945 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCCC1 ZINC001481847325 940158781 /nfs/dbraw/zinc/15/87/81/940158781.db2.gz CVJCUFRPUGGNGW-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001481992115 940201762 /nfs/dbraw/zinc/20/17/62/940201762.db2.gz UYNPSKQEKZBFOA-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO C[N@H+](CCC(=O)N1CCC[C@@H]1CNCC(N)=O)C1CCCCC1 ZINC001482061203 940239441 /nfs/dbraw/zinc/23/94/41/940239441.db2.gz VKZKEIKUPZPPNA-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@@H+](CCC(=O)N1CCC[C@@H]1CNCC(N)=O)C1CCCCC1 ZINC001482061203 940239443 /nfs/dbraw/zinc/23/94/43/940239443.db2.gz VKZKEIKUPZPPNA-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO O[C@]1(CN2CCCn3cnc(CNC4CCC4)c3C2)CC[NH2+]C1 ZINC001246042544 945328051 /nfs/dbraw/zinc/32/80/51/945328051.db2.gz XPWJTCYEYDLPLG-QGZVFWFLSA-N 1 3 319.453 0.455 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001269741749 940768164 /nfs/dbraw/zinc/76/81/64/940768164.db2.gz OXSNMJNLOPUUQZ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC(CC[NH2+]CC(=O)NC)CC1 ZINC001269935344 940802014 /nfs/dbraw/zinc/80/20/14/940802014.db2.gz NTVZBFUBHJSXJE-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001270617745 940936544 /nfs/dbraw/zinc/93/65/44/940936544.db2.gz NGMLNTYKHXGWGA-HRCADAONSA-N 1 3 308.470 0.708 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001270617086 940936896 /nfs/dbraw/zinc/93/68/96/940936896.db2.gz DVIFDNLCPHEBIL-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCn1cncn1 ZINC001482367946 941024234 /nfs/dbraw/zinc/02/42/34/941024234.db2.gz CJJPZCRXWGRYJR-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001482443048 941223183 /nfs/dbraw/zinc/22/31/83/941223183.db2.gz AHIFWVROAMKQPK-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C)N1CCCC1 ZINC001271213878 941324244 /nfs/dbraw/zinc/32/42/44/941324244.db2.gz IJXQGEMTBNBDHT-JYJNAYRXSA-N 1 3 308.470 0.708 20 0 DCADHO C[C@H]([NH2+]CCCO)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271540154 941398910 /nfs/dbraw/zinc/39/89/10/941398910.db2.gz PUIOTHDXMNCKNK-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCOC ZINC001423541851 941543738 /nfs/dbraw/zinc/54/37/38/941543738.db2.gz IMZAZHIMMDEFCM-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC001423541851 941543741 /nfs/dbraw/zinc/54/37/41/941543741.db2.gz IMZAZHIMMDEFCM-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001409214920 941585557 /nfs/dbraw/zinc/58/55/57/941585557.db2.gz CTMPNIITVAYMJE-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482931720 941711018 /nfs/dbraw/zinc/71/10/18/941711018.db2.gz VBOSAXJTZPSWKX-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@@H](NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001483007816 941772905 /nfs/dbraw/zinc/77/29/05/941772905.db2.gz DRLJXSSKGKUGIU-CWCORTEISA-N 1 3 322.453 0.209 20 0 DCADHO CCN1CC[C@@H](NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001483007816 941772908 /nfs/dbraw/zinc/77/29/08/941772908.db2.gz DRLJXSSKGKUGIU-CWCORTEISA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001483038053 941791420 /nfs/dbraw/zinc/79/14/20/941791420.db2.gz RPNKJXHIKHTOLS-WBTMPAOCSA-N 1 3 324.469 0.634 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483141878 941905997 /nfs/dbraw/zinc/90/59/97/941905997.db2.gz SXNLBYUMWQDRHJ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001483167453 941919054 /nfs/dbraw/zinc/91/90/54/941919054.db2.gz LKQMTNVLFVLHDJ-OCCSQVGLSA-N 1 3 308.426 0.320 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001409459084 942005795 /nfs/dbraw/zinc/00/57/95/942005795.db2.gz UUDRCYSKERVNMM-LKSINWNRSA-N 1 3 321.425 0.446 20 0 DCADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)C(=O)N(C)C ZINC001409485709 942014677 /nfs/dbraw/zinc/01/46/77/942014677.db2.gz QDJYJZPXQBRBON-GFCCVEGCSA-N 1 3 323.441 0.503 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001412854470 942107980 /nfs/dbraw/zinc/10/79/80/942107980.db2.gz KBXMMCSMVPIWAW-HUUCEWRRSA-N 1 3 318.421 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001483286158 942238220 /nfs/dbraw/zinc/23/82/20/942238220.db2.gz RVIRGJRUOHQBCT-STQMWFEESA-N 1 3 308.430 0.202 20 0 DCADHO C[C@@H](CN(C)C[C@@H]1CCc2ncnn21)NC(=O)CC[NH+](C)C ZINC001483381237 942315497 /nfs/dbraw/zinc/31/54/97/942315497.db2.gz IXGONJNUPFJYAP-STQMWFEESA-N 1 3 308.430 0.154 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)C(=O)NC(C)(C)C ZINC001483494358 942386359 /nfs/dbraw/zinc/38/63/59/942386359.db2.gz FPRQWXHTVZTCQN-LBPRGKRZSA-N 1 3 323.441 0.694 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001483592766 942447440 /nfs/dbraw/zinc/44/74/40/942447440.db2.gz PVLJZKCQSMEREL-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483592766 942447441 /nfs/dbraw/zinc/44/74/41/942447441.db2.gz PVLJZKCQSMEREL-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483601120 942453756 /nfs/dbraw/zinc/45/37/56/942453756.db2.gz MVKBDDPJCIGWIZ-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CC[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001272436838 942755496 /nfs/dbraw/zinc/75/54/96/942755496.db2.gz BRRFUWJMXRDZMD-MRXNPFEDSA-N 1 3 322.497 0.862 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001483959498 943046697 /nfs/dbraw/zinc/04/66/97/943046697.db2.gz VZBLDWBHTKVOGD-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CN(C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483955265 943052980 /nfs/dbraw/zinc/05/29/80/943052980.db2.gz DJAUXAFRBBTQLY-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483955265 943052992 /nfs/dbraw/zinc/05/29/92/943052992.db2.gz DJAUXAFRBBTQLY-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001484000053 943074697 /nfs/dbraw/zinc/07/46/97/943074697.db2.gz AAMBUADAWIMMEO-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001484000053 943074703 /nfs/dbraw/zinc/07/47/03/943074703.db2.gz AAMBUADAWIMMEO-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CCCC1 ZINC001484013954 943082523 /nfs/dbraw/zinc/08/25/23/943082523.db2.gz GDGCYNQHJUZLSW-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO COCCC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484225121 943222127 /nfs/dbraw/zinc/22/21/27/943222127.db2.gz WWIVRYIXVWGYGD-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO COCCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484225121 943222133 /nfs/dbraw/zinc/22/21/33/943222133.db2.gz WWIVRYIXVWGYGD-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001490898255 943586449 /nfs/dbraw/zinc/58/64/49/943586449.db2.gz YBWHAEIZPQUISG-AVGNSLFASA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CCOCCO)CC1)N(C)C ZINC001484926949 943625599 /nfs/dbraw/zinc/62/55/99/943625599.db2.gz KOPAKDDWVZZAMU-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001490928943 943680818 /nfs/dbraw/zinc/68/08/18/943680818.db2.gz WJSREZBBLIVXPN-BPLDGKMQSA-N 1 3 322.453 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001491073290 943738958 /nfs/dbraw/zinc/73/89/58/943738958.db2.gz IJUQCRHWHOCAHT-GASCZTMLSA-N 1 3 305.426 0.864 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)N1CCC1 ZINC001491174105 943809234 /nfs/dbraw/zinc/80/92/34/943809234.db2.gz OKVZPRSXTMRNLV-CYBMUJFWSA-N 1 3 319.409 0.013 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001491486100 944035897 /nfs/dbraw/zinc/03/58/97/944035897.db2.gz AQEIITWNRBERPV-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001491486100 944035903 /nfs/dbraw/zinc/03/59/03/944035903.db2.gz AQEIITWNRBERPV-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001491480952 944040812 /nfs/dbraw/zinc/04/08/12/944040812.db2.gz OZXVRSXSHKNBQN-RYUDHWBXSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC001491493525 944045520 /nfs/dbraw/zinc/04/55/20/944045520.db2.gz OICBNDHTIVYGNU-ZFWWWQNUSA-N 1 3 312.458 0.147 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3cnco3)C2)C1=O ZINC001272741731 944178120 /nfs/dbraw/zinc/17/81/20/944178120.db2.gz GGZNMCSELQLKMB-MRXNPFEDSA-N 1 3 320.393 0.577 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001485825315 944200181 /nfs/dbraw/zinc/20/01/81/944200181.db2.gz ARJWDYJSPUPPJD-DOMZBBRYSA-N 1 3 306.410 0.815 20 0 DCADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485835047 944272550 /nfs/dbraw/zinc/27/25/50/944272550.db2.gz TYCPRLZXVVGOIX-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485835047 944272557 /nfs/dbraw/zinc/27/25/57/944272557.db2.gz TYCPRLZXVVGOIX-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001485918269 944403654 /nfs/dbraw/zinc/40/36/54/944403654.db2.gz BSDZUIVMJNEUOQ-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC1CC1 ZINC001485945299 944426459 /nfs/dbraw/zinc/42/64/59/944426459.db2.gz VKJQIJQCAKUGQC-ZDUSSCGKSA-N 1 3 322.453 0.045 20 0 DCADHO COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001485996691 944470983 /nfs/dbraw/zinc/47/09/83/944470983.db2.gz IIYYXVDKUKAKFU-ZIAGYGMSSA-N 1 3 315.458 0.353 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001486120494 944577386 /nfs/dbraw/zinc/57/73/86/944577386.db2.gz BSTBYXLGELWDJM-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC001486135789 944590808 /nfs/dbraw/zinc/59/08/08/944590808.db2.gz QSXPWHXDCIPCJJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC)C[C@H]1C ZINC001486128603 944605805 /nfs/dbraw/zinc/60/58/05/944605805.db2.gz KHSQGKFGGNZDSO-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC)C[C@H]1C ZINC001486128603 944605810 /nfs/dbraw/zinc/60/58/10/944605810.db2.gz KHSQGKFGGNZDSO-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C)C1=O ZINC001316908067 944637388 /nfs/dbraw/zinc/63/73/88/944637388.db2.gz VGKRGOXWUXUXTA-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317097119 944794404 /nfs/dbraw/zinc/79/44/04/944794404.db2.gz QDJGSXXNKUTEML-BIQWYFBQSA-N 1 3 313.442 0.105 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCOCCO)CC1)N(C)C ZINC001277411665 944808723 /nfs/dbraw/zinc/80/87/23/944808723.db2.gz MYTJXCGEJZHABP-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCOCCO)CC1)N(C)C ZINC001277411665 944808727 /nfs/dbraw/zinc/80/87/27/944808727.db2.gz MYTJXCGEJZHABP-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CCC2CC2)C1 ZINC001486349052 944833763 /nfs/dbraw/zinc/83/37/63/944833763.db2.gz NSGHJRYOOLUOGH-GDBMZVCRSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCC2CC2)C1 ZINC001486349052 944833768 /nfs/dbraw/zinc/83/37/68/944833768.db2.gz NSGHJRYOOLUOGH-GDBMZVCRSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001486484369 944918795 /nfs/dbraw/zinc/91/87/95/944918795.db2.gz ZIVOXCZBHVXDCP-UHFFFAOYSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CCOCCO ZINC001317463570 944986962 /nfs/dbraw/zinc/98/69/62/944986962.db2.gz FCTLNODOWNVMOP-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CCOCCO ZINC001317463570 944986968 /nfs/dbraw/zinc/98/69/68/944986968.db2.gz FCTLNODOWNVMOP-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246258313 945370535 /nfs/dbraw/zinc/37/05/35/945370535.db2.gz WDYBNRHESSRONQ-WMHQRMGPSA-N 1 3 311.426 0.171 20 0 DCADHO O=C1CNCCN1CCN[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246358195 945392789 /nfs/dbraw/zinc/39/27/89/945392789.db2.gz YKHOLNQFOAKRRN-DLBZAZTESA-N 1 3 316.449 0.371 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001246403781 945405057 /nfs/dbraw/zinc/40/50/57/945405057.db2.gz HZRPMQZFJOICRB-NSHDSACASA-N 1 3 310.364 0.586 20 0 DCADHO c1cc(CN[C@H]2CCNC3(C[NH2+]C3)C2)nc(OCC2CC2)n1 ZINC001246433901 945410360 /nfs/dbraw/zinc/41/03/60/945410360.db2.gz KTYCCDCRNPVKHG-ZDUSSCGKSA-N 1 3 303.410 0.449 20 0 DCADHO c1nnn([C@H]2CCC[C@H](N3CCN[C@H]4CC[NH2+]CC[C@@H]43)C2)n1 ZINC001246619475 945444869 /nfs/dbraw/zinc/44/48/69/945444869.db2.gz RTAYVGNXWOWPNH-AJNGGQMLSA-N 1 3 305.430 0.183 20 0 DCADHO c1nnn([C@@H]2CCC[C@@H](N3CC[NH2+]C[C@@]4(CCCCN4)C3)C2)n1 ZINC001246637624 945449967 /nfs/dbraw/zinc/44/99/67/945449967.db2.gz ZAOMHHXDXUHFPI-OAGGEKHMSA-N 1 3 319.457 0.574 20 0 DCADHO c1ccc(CN2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246700174 945464599 /nfs/dbraw/zinc/46/45/99/945464599.db2.gz BWEFUNYOVCKCBE-MRXNPFEDSA-N 1 3 301.438 0.293 20 0 DCADHO C(OCC1CC1)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNC2 ZINC001246709488 945467393 /nfs/dbraw/zinc/46/73/93/945467393.db2.gz WELJQJGXBHZSST-CYBMUJFWSA-N 1 3 317.437 0.679 20 0 DCADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CN1 ZINC001246792969 945492339 /nfs/dbraw/zinc/49/23/39/945492339.db2.gz GHMNKOXIWNGBHP-COMQUAJESA-N 1 3 303.410 0.455 20 0 DCADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CN1 ZINC001246792969 945492340 /nfs/dbraw/zinc/49/23/40/945492340.db2.gz GHMNKOXIWNGBHP-COMQUAJESA-N 1 3 303.410 0.455 20 0 DCADHO O=C1CCc2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc21 ZINC001247852926 945579104 /nfs/dbraw/zinc/57/91/04/945579104.db2.gz YLGKGFDJVRMSOR-UHFFFAOYSA-N 1 3 310.357 0.926 20 0 DCADHO CCOC[C@@H](O)C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001252046965 945852877 /nfs/dbraw/zinc/85/28/77/945852877.db2.gz HEEWGQLPDHORDU-INIZCTEOSA-N 1 3 300.443 0.864 20 0 DCADHO COC(=O)[C@@H](O)C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001252445669 945934640 /nfs/dbraw/zinc/93/46/40/945934640.db2.gz WFPPQIHZXAWRSR-HNNXBMFYSA-N 1 3 307.394 0.417 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320808793 946024104 /nfs/dbraw/zinc/02/41/04/946024104.db2.gz QAMMLVQRHQIKBS-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410209846 946038985 /nfs/dbraw/zinc/03/89/85/946038985.db2.gz NUDBDCHWEAWJBE-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C[C@H](O)C[NH+](CC)CC ZINC001253187967 946089346 /nfs/dbraw/zinc/08/93/46/946089346.db2.gz MFZKXSJEBSZXAQ-IUODEOHRSA-N 1 3 324.425 0.575 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001253213377 946095416 /nfs/dbraw/zinc/09/54/16/946095416.db2.gz SZBMNRLHWAZGRF-CVEARBPZSA-N 1 3 320.437 0.588 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccc(OC)cc1 ZINC001253211432 946098014 /nfs/dbraw/zinc/09/80/14/946098014.db2.gz WGKXREDCOQIULZ-CVEARBPZSA-N 1 3 310.438 0.891 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cncn1C ZINC001410374382 946269565 /nfs/dbraw/zinc/26/95/65/946269565.db2.gz HRJXXKJJSNLXHX-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cncn1C ZINC001410374382 946269573 /nfs/dbraw/zinc/26/95/73/946269573.db2.gz HRJXXKJJSNLXHX-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001410393978 946299170 /nfs/dbraw/zinc/29/91/70/946299170.db2.gz XMOQSXICMZSQTO-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001410393978 946299172 /nfs/dbraw/zinc/29/91/72/946299172.db2.gz XMOQSXICMZSQTO-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001410394523 946300154 /nfs/dbraw/zinc/30/01/54/946300154.db2.gz MZUZWYSSNHBBPP-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001410394523 946300166 /nfs/dbraw/zinc/30/01/66/946300166.db2.gz MZUZWYSSNHBBPP-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001410447372 946391203 /nfs/dbraw/zinc/39/12/03/946391203.db2.gz YXZUAFQKIXHLHM-KGLIPLIRSA-N 1 3 314.474 0.630 20 0 DCADHO CN1CCC[C@H]([N@@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC001254529440 946408204 /nfs/dbraw/zinc/40/82/04/946408204.db2.gz FVUBXNHLIVNLLG-HOTGVXAUSA-N 1 3 324.469 0.977 20 0 DCADHO CN1CCC[C@H]([N@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC001254529440 946408212 /nfs/dbraw/zinc/40/82/12/946408212.db2.gz FVUBXNHLIVNLLG-HOTGVXAUSA-N 1 3 324.469 0.977 20 0 DCADHO CN(C[C@H](O)C[NH2+]CCc1ccns1)C(=O)Cc1c[nH]cn1 ZINC001278811181 946433149 /nfs/dbraw/zinc/43/31/49/946433149.db2.gz QSIGNOJHBVYDLS-GFCCVEGCSA-N 1 3 323.422 0.060 20 0 DCADHO CS(=O)(=O)N([C@@H]1CCC[NH2+]C1)[C@@H]1CC2CCN(CC2)C1 ZINC001254868480 946443811 /nfs/dbraw/zinc/44/38/11/946443811.db2.gz OVWZYTJRUUXIFU-ZIAGYGMSSA-N 1 3 301.456 0.484 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001410501161 946492050 /nfs/dbraw/zinc/49/20/50/946492050.db2.gz ISOKUGUMECIEJO-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@@H]2CCN(C)C2)n1 ZINC001255441641 946510321 /nfs/dbraw/zinc/51/03/21/946510321.db2.gz PSQAYIYXMBOPBA-VXGBXAGGSA-N 1 3 307.398 0.798 20 0 DCADHO C[N@H+](CCO)CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255592532 946534544 /nfs/dbraw/zinc/53/45/44/946534544.db2.gz GATLNIWTTPLHLG-CYBMUJFWSA-N 1 3 301.431 0.900 20 0 DCADHO C[N@@H+](CCO)CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255592532 946534546 /nfs/dbraw/zinc/53/45/46/946534546.db2.gz GATLNIWTTPLHLG-CYBMUJFWSA-N 1 3 301.431 0.900 20 0 DCADHO CCOC(=O)N1CCC(N2CCN(CCCC[NH3+])CC2)CC1 ZINC001256237507 946600579 /nfs/dbraw/zinc/60/05/79/946600579.db2.gz GLWUFSROMOJFBW-UHFFFAOYSA-N 1 3 312.458 0.964 20 0 DCADHO c1cnc(N2CC([NH2+]C3CCC(N4CCOCC4)CC3)C2)nc1 ZINC001256685799 946655753 /nfs/dbraw/zinc/65/57/53/946655753.db2.gz HMNVYFYDYHERCY-UHFFFAOYSA-N 1 3 317.437 0.898 20 0 DCADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C1CCN(S(C)(=O)=O)CC1)C2 ZINC001257241027 946720414 /nfs/dbraw/zinc/72/04/14/946720414.db2.gz MQFDLWSNHILLMU-TZMCWYRMSA-N 1 3 301.456 0.294 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001322694768 946771707 /nfs/dbraw/zinc/77/17/07/946771707.db2.gz ULKUJWLBZBVMCZ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CCC[NH+](C)C ZINC001410847741 947021542 /nfs/dbraw/zinc/02/15/42/947021542.db2.gz FVHZVSMPMXLCPK-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN(C)C1CCC1 ZINC001410865912 947053797 /nfs/dbraw/zinc/05/37/97/947053797.db2.gz OJUYXSMXKKZVAB-OLZOCXBDSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1C ZINC001410876459 947070555 /nfs/dbraw/zinc/07/05/55/947070555.db2.gz KUTOUMVLFJFHTB-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001410911867 947120088 /nfs/dbraw/zinc/12/00/88/947120088.db2.gz LDFJNJSZYUFDSX-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001410911867 947120095 /nfs/dbraw/zinc/12/00/95/947120095.db2.gz LDFJNJSZYUFDSX-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410923329 947125469 /nfs/dbraw/zinc/12/54/69/947125469.db2.gz RCPVZXTYXDFNMW-UHFFFAOYSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)[C@H]1CN(C)CCN1C ZINC001462589054 1013074512 /nfs/dbraw/zinc/07/45/12/1013074512.db2.gz JBRSTZKWNHNBKX-GOEBONIOSA-N 1 3 312.502 0.446 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001411186013 947454912 /nfs/dbraw/zinc/45/49/12/947454912.db2.gz KXIQEMWIWINJEG-OAHLLOKOSA-N 1 3 308.426 0.894 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001411186013 947454916 /nfs/dbraw/zinc/45/49/16/947454916.db2.gz KXIQEMWIWINJEG-OAHLLOKOSA-N 1 3 308.426 0.894 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001411251507 947540682 /nfs/dbraw/zinc/54/06/82/947540682.db2.gz AWPUAOKNZXZLTO-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337184 947662329 /nfs/dbraw/zinc/66/23/29/947662329.db2.gz VRHXIDRXOBEDEK-LBPRGKRZSA-N 1 3 306.410 0.202 20 0 DCADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246271884 947687443 /nfs/dbraw/zinc/68/74/43/947687443.db2.gz ZUATYVGIKQUUQP-TZMCWYRMSA-N 1 3 303.472 0.919 20 0 DCADHO C[NH2+]CCCCC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001263099215 947808076 /nfs/dbraw/zinc/80/80/76/947808076.db2.gz BNRWHEZNVSQGEO-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)CCSCCC[NH3+] ZINC001263113854 947810111 /nfs/dbraw/zinc/81/01/11/947810111.db2.gz VTRLXPWYRDDFJG-UHFFFAOYSA-N 1 3 316.515 0.554 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179476419 947849430 /nfs/dbraw/zinc/84/94/30/947849430.db2.gz WNTCFAOLUJZIQD-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC001179586586 947870455 /nfs/dbraw/zinc/87/04/55/947870455.db2.gz RFDYTJKZIQHFMF-CQSZACIVSA-N 1 3 312.458 0.340 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+]C[C@H](O)COC)N(C)C ZINC001179609067 947874445 /nfs/dbraw/zinc/87/44/45/947874445.db2.gz FCTGJUWBOBIQSG-GJZGRUSLSA-N 1 3 317.474 0.600 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273703435 948032911 /nfs/dbraw/zinc/03/29/11/948032911.db2.gz HMQCDXYWWFDGCG-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001487780448 948271827 /nfs/dbraw/zinc/27/18/27/948271827.db2.gz FQGVATPGFXEOSA-AAEUAGOBSA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001487780448 948271835 /nfs/dbraw/zinc/27/18/35/948271835.db2.gz FQGVATPGFXEOSA-AAEUAGOBSA-N 1 3 321.425 0.175 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001326847548 948301014 /nfs/dbraw/zinc/30/10/14/948301014.db2.gz RVJIWUMNWCQKJQ-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CC(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)CC(C)(C)C ZINC001327033603 948372409 /nfs/dbraw/zinc/37/24/09/948372409.db2.gz DGPGVYWQVMRJCI-AWEZNQCLSA-N 1 3 315.458 0.164 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001265456552 949700794 /nfs/dbraw/zinc/70/07/94/949700794.db2.gz YVORVSCVAGLBOQ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCNC1=O ZINC001266077954 950335092 /nfs/dbraw/zinc/33/50/92/950335092.db2.gz YRVCKSVZGRTMOB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]([NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1)C(N)=O ZINC001490665926 950969517 /nfs/dbraw/zinc/96/95/17/950969517.db2.gz XLERNNXIXYJXSC-OCCSQVGLSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CO)[C@@H]1C ZINC001365416880 951101467 /nfs/dbraw/zinc/10/14/67/951101467.db2.gz VSFLLHNTAKMOFS-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CO)[C@@H]1C ZINC001365416880 951101472 /nfs/dbraw/zinc/10/14/72/951101472.db2.gz VSFLLHNTAKMOFS-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCOCC(F)F)CCN1C(=O)Cc1c[nH]cn1 ZINC001331919235 951389086 /nfs/dbraw/zinc/38/90/86/951389086.db2.gz OVDIVNGHSGDNBH-ZYHUDNBSSA-N 1 3 316.352 0.813 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001365850410 951615732 /nfs/dbraw/zinc/61/57/32/951615732.db2.gz XXNPCOUNUWYWBV-ZQDZILKHSA-N 1 3 324.469 0.336 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)C2(O)CCC2)C[C@H](C)O1 ZINC001336764214 952761430 /nfs/dbraw/zinc/76/14/30/952761430.db2.gz WYNAKQPNPSIXGT-ZNMIVQPWSA-N 1 3 300.443 0.741 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001336830653 952773401 /nfs/dbraw/zinc/77/34/01/952773401.db2.gz IURMXVCETGHBSG-OAHLLOKOSA-N 1 3 311.474 0.394 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC001337310106 952840340 /nfs/dbraw/zinc/84/03/40/952840340.db2.gz MXBXXOUIMOIDTP-UHFFFAOYSA-N 1 3 312.458 0.611 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCNCCC12CCC2 ZINC001337322024 952842862 /nfs/dbraw/zinc/84/28/62/952842862.db2.gz IPSQDJRXUOWZDC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC(N[C@H]4CCOC4)C3)C[N@@H+]2C1 ZINC001412705498 953007604 /nfs/dbraw/zinc/00/76/04/953007604.db2.gz YNSHWWIWIKCOMD-NYTXWWLZSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC(N[C@H]4CCOC4)C3)C[N@H+]2C1 ZINC001412705498 953007608 /nfs/dbraw/zinc/00/76/08/953007608.db2.gz YNSHWWIWIKCOMD-NYTXWWLZSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H](C(=O)NCCN(C)CCOCCO)[NH+]1[C@H](C)CC[C@H]1C ZINC001339881124 953126623 /nfs/dbraw/zinc/12/66/23/953126623.db2.gz IWDLIXSDDGJSFI-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO CN1CCN(C)CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC001341395763 953227797 /nfs/dbraw/zinc/22/77/97/953227797.db2.gz ZBGJISISVUPPFW-KRWDZBQOSA-N 1 3 316.449 0.927 20 0 DCADHO NCc1nc(C(=O)NCCCCC[NH+]2CCNCC2)cs1 ZINC001341824525 953253017 /nfs/dbraw/zinc/25/30/17/953253017.db2.gz UWFMMYWFHLNJLL-UHFFFAOYSA-N 1 3 311.455 0.407 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]C[C@H]2CCOC2)C2CC2)CCC1 ZINC001366041850 953617963 /nfs/dbraw/zinc/61/79/63/953617963.db2.gz YEYSECKVFCUIPP-UKRRQHHQSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001366061819 953635618 /nfs/dbraw/zinc/63/56/18/953635618.db2.gz LJICMWFMYABVNB-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001366089663 953669990 /nfs/dbraw/zinc/66/99/90/953669990.db2.gz JPRYVRVCVBODSD-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001366125218 953716683 /nfs/dbraw/zinc/71/66/83/953716683.db2.gz HXXXHOXCTZXEMC-XJFOESAGSA-N 1 3 310.442 0.042 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001366281307 953949231 /nfs/dbraw/zinc/94/92/31/953949231.db2.gz CZYCDKCTJPHZFO-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001366281307 953949238 /nfs/dbraw/zinc/94/92/38/953949238.db2.gz CZYCDKCTJPHZFO-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2cnn(C)c2)CC[N@@H+]1C ZINC001366298629 953980604 /nfs/dbraw/zinc/98/06/04/953980604.db2.gz YHTGKFQRRWCYAX-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2cnn(C)c2)CC[N@H+]1C ZINC001366298629 953980614 /nfs/dbraw/zinc/98/06/14/953980614.db2.gz YHTGKFQRRWCYAX-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001366410813 954165698 /nfs/dbraw/zinc/16/56/98/954165698.db2.gz KSQPEFUYAJEQPW-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001366410818 954166659 /nfs/dbraw/zinc/16/66/59/954166659.db2.gz KSQPEFUYAJEQPW-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1cnc(CN[C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001366500113 954284887 /nfs/dbraw/zinc/28/48/87/954284887.db2.gz SNYOVXRJUZJNRQ-CYBMUJFWSA-N 1 3 317.437 0.865 20 0 DCADHO COc1cc(CN[C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001446942235 1013123409 /nfs/dbraw/zinc/12/34/09/1013123409.db2.gz QTFNQEJEQVQKMX-CHWSQXEVSA-N 1 3 324.425 0.962 20 0 DCADHO CO[C@@H](C)CN(C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001366580665 954458848 /nfs/dbraw/zinc/45/88/48/954458848.db2.gz WKEOTSSQIDWQFO-ZDUSSCGKSA-N 1 3 301.431 0.180 20 0 DCADHO CC[C@@H](C(=O)NCC[N@H+](C)C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001366583501 954462773 /nfs/dbraw/zinc/46/27/73/954462773.db2.gz LZTFGWOWQOJIKM-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001366583501 954462778 /nfs/dbraw/zinc/46/27/78/954462778.db2.gz LZTFGWOWQOJIKM-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001366771555 954818345 /nfs/dbraw/zinc/81/83/45/954818345.db2.gz PWIQCCGLFCCHHX-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001366771555 954818350 /nfs/dbraw/zinc/81/83/50/954818350.db2.gz PWIQCCGLFCCHHX-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001366773679 954822333 /nfs/dbraw/zinc/82/23/33/954822333.db2.gz BLOSMLKEGDFBEU-CHWSQXEVSA-N 1 3 300.447 0.097 20 0 DCADHO CN(CCN[C@@H]1CCN(C2CCC2)C1=O)C(=O)CC[NH+](C)C ZINC001366778942 954835080 /nfs/dbraw/zinc/83/50/80/954835080.db2.gz WDUIFHXCLNIJEK-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001350117016 954996304 /nfs/dbraw/zinc/99/63/04/954996304.db2.gz FWXSMDTZIYBXSJ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001350117016 954996312 /nfs/dbraw/zinc/99/63/12/954996312.db2.gz FWXSMDTZIYBXSJ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC001366900596 955024122 /nfs/dbraw/zinc/02/41/22/955024122.db2.gz GKILDPSIDHGBFH-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCC(F)(F)F)N(C)C ZINC001284456729 955108752 /nfs/dbraw/zinc/10/87/52/955108752.db2.gz NTGFTWXMMHNSSA-WDEREUQCSA-N 1 3 313.364 0.688 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CCOCCO)C2)CCC1 ZINC001284770674 955257487 /nfs/dbraw/zinc/25/74/87/955257487.db2.gz GRQAGGZLKBXHSH-UHFFFAOYSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC(=O)NC ZINC001367131926 955372467 /nfs/dbraw/zinc/37/24/67/955372467.db2.gz VLITXHIUKYRLRK-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC(=O)N(C)C ZINC001367134540 955375230 /nfs/dbraw/zinc/37/52/30/955375230.db2.gz QCTIBXZOFIVICU-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001367150071 955405055 /nfs/dbraw/zinc/40/50/55/955405055.db2.gz OURFUMKBGNBLDU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)NC2CC2)CCCC1)N(C)C ZINC001367161073 955415574 /nfs/dbraw/zinc/41/55/74/955415574.db2.gz WJIDEEJWTHWCRW-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001367288875 955593098 /nfs/dbraw/zinc/59/30/98/955593098.db2.gz OXRASEVVKSNWLL-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@@H]([NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1)C(N)=O ZINC001367317785 955639316 /nfs/dbraw/zinc/63/93/16/955639316.db2.gz LJTSGKUROZNUIB-CQSZACIVSA-N 1 3 324.469 0.753 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001367326579 955649790 /nfs/dbraw/zinc/64/97/90/955649790.db2.gz NZYTTWFCOVYFDR-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H]4CCO[C@@H]4C3=O)C[C@@H]2C1 ZINC001352761935 955754647 /nfs/dbraw/zinc/75/46/47/955754647.db2.gz SLEGENGMHQPNIX-CWVYHPPDSA-N 1 3 307.438 0.853 20 0 DCADHO C[NH+](C)CCOCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001353749778 956169435 /nfs/dbraw/zinc/16/94/35/956169435.db2.gz SGSPUVWBFWSYIT-UHFFFAOYSA-N 1 3 307.394 0.477 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC)C1 ZINC001367381768 957747373 /nfs/dbraw/zinc/74/73/73/957747373.db2.gz JOSUWANBVRMJPJ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC)C1 ZINC001367381768 957747377 /nfs/dbraw/zinc/74/73/77/957747377.db2.gz JOSUWANBVRMJPJ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001367448763 957818328 /nfs/dbraw/zinc/81/83/28/957818328.db2.gz OGRNSWOCHAFYCH-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1nccc1CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001367554272 958029893 /nfs/dbraw/zinc/02/98/93/958029893.db2.gz JJNUADPBPDRTSA-GOEBONIOSA-N 1 3 319.453 0.795 20 0 DCADHO Cc1cncc(C[NH2+]C[C@H](O)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001367595970 958144851 /nfs/dbraw/zinc/14/48/51/958144851.db2.gz WIEIQIRJJKDVIP-HNNXBMFYSA-N 1 3 320.437 0.441 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001367753025 958503121 /nfs/dbraw/zinc/50/31/21/958503121.db2.gz LNQMWWYCWMRICJ-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298313078 958539961 /nfs/dbraw/zinc/53/99/61/958539961.db2.gz SQKPGKPBXKLDEG-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298313078 958539974 /nfs/dbraw/zinc/53/99/74/958539974.db2.gz SQKPGKPBXKLDEG-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001376845286 958974561 /nfs/dbraw/zinc/97/45/61/958974561.db2.gz GHDCALIVNIFWOR-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001491683309 959046028 /nfs/dbraw/zinc/04/60/28/959046028.db2.gz SFLLFQRQOSLHKS-NWDGAFQWSA-N 1 3 306.410 0.330 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC001376894762 959086997 /nfs/dbraw/zinc/08/69/97/959086997.db2.gz IKSSWQMMYUCSHT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN([C@@H]2CCN(C)C2=O)CC1 ZINC001376894762 959087011 /nfs/dbraw/zinc/08/70/11/959087011.db2.gz IKSSWQMMYUCSHT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001376974120 959236842 /nfs/dbraw/zinc/23/68/42/959236842.db2.gz XRHAKKCKWZPJCR-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC1CC1 ZINC001368121688 959279653 /nfs/dbraw/zinc/27/96/53/959279653.db2.gz HGNBAKFHKPRWQX-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC1CC1 ZINC001368121688 959279665 /nfs/dbraw/zinc/27/96/65/959279665.db2.gz HGNBAKFHKPRWQX-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cnn(C)c1 ZINC001377036456 959362950 /nfs/dbraw/zinc/36/29/50/959362950.db2.gz OSBSIAKJFGLGMR-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001377099465 959465726 /nfs/dbraw/zinc/46/57/26/959465726.db2.gz WBJPOGSJJXVHSN-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001377168219 959614357 /nfs/dbraw/zinc/61/43/57/959614357.db2.gz VKVKPEWAHFXQEL-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001368452774 959885638 /nfs/dbraw/zinc/88/56/38/959885638.db2.gz WTRPVOIZPKONSJ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001368452774 959885651 /nfs/dbraw/zinc/88/56/51/959885651.db2.gz WTRPVOIZPKONSJ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001377408020 960044325 /nfs/dbraw/zinc/04/43/25/960044325.db2.gz FJTLZDZBQPQMPC-RBSFLKMASA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001377408020 960044332 /nfs/dbraw/zinc/04/43/32/960044332.db2.gz FJTLZDZBQPQMPC-RBSFLKMASA-N 1 3 315.458 0.161 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]CCF ZINC001316692399 960049882 /nfs/dbraw/zinc/04/98/82/960049882.db2.gz UISUHXPTRGZVDS-MGPQQGTHSA-N 1 3 303.422 0.749 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1nccn1C ZINC001377431899 960089585 /nfs/dbraw/zinc/08/95/85/960089585.db2.gz JMFOKASTHHRHCU-ZFWWWQNUSA-N 1 3 319.453 0.746 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001377464629 960143573 /nfs/dbraw/zinc/14/35/73/960143573.db2.gz WBYNMBIGDGQKGO-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001377464629 960143582 /nfs/dbraw/zinc/14/35/82/960143582.db2.gz WBYNMBIGDGQKGO-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CC[C@H](F)CN1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001377554844 960274029 /nfs/dbraw/zinc/27/40/29/960274029.db2.gz ZNLHNHMYNQWHAX-UONOGXRCSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@H](F)CN1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001377554844 960274036 /nfs/dbraw/zinc/27/40/36/960274036.db2.gz ZNLHNHMYNQWHAX-UONOGXRCSA-N 1 3 315.433 0.772 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001368825275 960323390 /nfs/dbraw/zinc/32/33/90/960323390.db2.gz MTRAAYACCYVRNG-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCN(C(C)C)C1=O)N(C)C ZINC001377587668 960323698 /nfs/dbraw/zinc/32/36/98/960323698.db2.gz DZJATRNIQQZMTF-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001377602402 960346550 /nfs/dbraw/zinc/34/65/50/960346550.db2.gz DVIAWXKFROBZRG-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001377636728 960379797 /nfs/dbraw/zinc/37/97/97/960379797.db2.gz FJKLVMKOTORLPI-UONOGXRCSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001377636728 960379807 /nfs/dbraw/zinc/37/98/07/960379807.db2.gz FJKLVMKOTORLPI-UONOGXRCSA-N 1 3 303.422 0.581 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001378317517 960571334 /nfs/dbraw/zinc/57/13/34/960571334.db2.gz LUFJBCYZGHIPDE-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001378317517 960571349 /nfs/dbraw/zinc/57/13/49/960571349.db2.gz LUFJBCYZGHIPDE-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCN(C)C2=O)C1 ZINC001377761526 960594132 /nfs/dbraw/zinc/59/41/32/960594132.db2.gz OSNDENUGOXHPAV-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCN(C)C2=O)C1 ZINC001377761526 960594141 /nfs/dbraw/zinc/59/41/41/960594141.db2.gz OSNDENUGOXHPAV-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)C[C@@H]2[NH3+])cn1 ZINC001548945809 1013196971 /nfs/dbraw/zinc/19/69/71/1013196971.db2.gz SKHNOKGUFAGEGZ-XHSDSOJGSA-N 1 3 319.453 0.971 20 0 DCADHO CN(C)C(=O)CN(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377796320 960680168 /nfs/dbraw/zinc/68/01/68/960680168.db2.gz SFNMLLXTUAJGIX-UHFFFAOYSA-N 1 3 312.458 0.197 20 0 DCADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)CC[NH+](C)C)cn1 ZINC001378507218 960896888 /nfs/dbraw/zinc/89/68/88/960896888.db2.gz ZMAWWLDPWUBLBO-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO CN(CC(=O)N1CC[C@@H]1CNC(=O)CCC[NH+](C)C)C1CCC1 ZINC001378511812 960908850 /nfs/dbraw/zinc/90/88/50/960908850.db2.gz ZLDJZPWYQKVDSD-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377902284 960943101 /nfs/dbraw/zinc/94/31/01/960943101.db2.gz BWABHFDXQOJJRZ-NEPJUHHUSA-N 1 3 318.425 0.720 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001377919571 960974775 /nfs/dbraw/zinc/97/47/75/960974775.db2.gz XGRLNWVLKISWRG-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1nccn1C ZINC001378576226 961058524 /nfs/dbraw/zinc/05/85/24/961058524.db2.gz YBAFQQGDDXDBLJ-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001378614377 961129955 /nfs/dbraw/zinc/12/99/55/961129955.db2.gz MKQFRZNDIKHXOM-OCCSQVGLSA-N 1 3 310.446 0.243 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC2CN(CCCO)C2)C1 ZINC001377994315 961142562 /nfs/dbraw/zinc/14/25/62/961142562.db2.gz FGZJSJHKJHCHJU-MRXNPFEDSA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCC2CN(CCCO)C2)C1 ZINC001377994315 961142572 /nfs/dbraw/zinc/14/25/72/961142572.db2.gz FGZJSJHKJHCHJU-MRXNPFEDSA-N 1 3 315.433 0.629 20 0 DCADHO NC(C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1)C(F)(F)F ZINC001549028771 1013233931 /nfs/dbraw/zinc/23/39/31/1013233931.db2.gz KHXVZHVXQQZMTC-MXWKQRLJSA-N 1 3 305.275 0.968 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3[NH3+])C2)nn1 ZINC001549047255 1013247296 /nfs/dbraw/zinc/24/72/96/1013247296.db2.gz MHGRBSQSXCBDRV-MCIONIFRSA-N 1 3 306.414 0.418 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC001363534301 961382970 /nfs/dbraw/zinc/38/29/70/961382970.db2.gz VYVKETJMBOXIIG-HUUCEWRRSA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC001363534301 961382988 /nfs/dbraw/zinc/38/29/88/961382988.db2.gz VYVKETJMBOXIIG-HUUCEWRRSA-N 1 3 324.469 0.685 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCn1cccn1 ZINC001378122802 961473878 /nfs/dbraw/zinc/47/38/78/961473878.db2.gz NSZLISQMROFEDH-CQSZACIVSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001363574317 961474201 /nfs/dbraw/zinc/47/42/01/961474201.db2.gz NYRDMEIGPMBLGQ-HNNXBMFYSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001378813510 961528832 /nfs/dbraw/zinc/52/88/32/961528832.db2.gz PTTSURMMOATIIU-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCc1ccnn1C ZINC001378183489 961612947 /nfs/dbraw/zinc/61/29/47/961612947.db2.gz HYMKPXAEODRSJJ-AWEZNQCLSA-N 1 3 319.453 0.495 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001447155959 1013285712 /nfs/dbraw/zinc/28/57/12/1013285712.db2.gz FXHAROPUNZFDNQ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001447155959 1013285718 /nfs/dbraw/zinc/28/57/18/1013285718.db2.gz FXHAROPUNZFDNQ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001379009854 961869646 /nfs/dbraw/zinc/86/96/46/961869646.db2.gz GCBZBSBXPARNGS-ZNMIVQPWSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](CNCC(=O)NC)C2CC2)CC[N@H+]1C ZINC001379009854 961869660 /nfs/dbraw/zinc/86/96/60/961869660.db2.gz GCBZBSBXPARNGS-ZNMIVQPWSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379016337 961885776 /nfs/dbraw/zinc/88/57/76/961885776.db2.gz AJQHWSDBFUMJGO-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001379016337 961885796 /nfs/dbraw/zinc/88/57/96/961885796.db2.gz AJQHWSDBFUMJGO-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)CCN1CCCC1=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379739579 961907270 /nfs/dbraw/zinc/90/72/70/961907270.db2.gz JHNYXKUIFOIFMF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)CCN1CCCC1=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379739579 961907281 /nfs/dbraw/zinc/90/72/81/961907281.db2.gz JHNYXKUIFOIFMF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(CN1CCCC1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001363899178 962102686 /nfs/dbraw/zinc/10/26/86/962102686.db2.gz UHXUPORHBWSKBK-UHFFFAOYSA-N 1 3 309.454 0.922 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCC1 ZINC001447248422 1013328473 /nfs/dbraw/zinc/32/84/73/1013328473.db2.gz GESOPOQXSABJMJ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)CC[C@@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001379970245 962422176 /nfs/dbraw/zinc/42/21/76/962422176.db2.gz YNTFUWLPVPKFNO-CABCVRRESA-N 1 3 324.425 0.272 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)CC[C@@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001379970245 962422183 /nfs/dbraw/zinc/42/21/83/962422183.db2.gz YNTFUWLPVPKFNO-CABCVRRESA-N 1 3 324.425 0.272 20 0 DCADHO CCN(CCN[C@@H]1CCN(C2CCC2)C1=O)C(=O)CC[NH+](C)C ZINC001379319676 962615440 /nfs/dbraw/zinc/61/54/40/962615440.db2.gz GBERDAIBVPVGJT-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001380288729 962996362 /nfs/dbraw/zinc/99/63/62/962996362.db2.gz YBNIWBVHINZZOC-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001380288729 962996380 /nfs/dbraw/zinc/99/63/80/962996380.db2.gz YBNIWBVHINZZOC-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C2CCC2)C1=O)NC(=O)CCC[NH+](C)C ZINC001379535527 963148755 /nfs/dbraw/zinc/14/87/55/963148755.db2.gz KQRJEMUVXBXXJY-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379548542 963168401 /nfs/dbraw/zinc/16/84/01/963168401.db2.gz AVTKZQOIKMLERU-SWLSCSKDSA-N 1 3 324.473 0.787 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@H]1C ZINC001379574381 963202774 /nfs/dbraw/zinc/20/27/74/963202774.db2.gz VSGBFZGKSAPFQB-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@H]1C ZINC001379574381 963202780 /nfs/dbraw/zinc/20/27/80/963202780.db2.gz VSGBFZGKSAPFQB-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1nc(CN[C@H]2C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001379607311 963259424 /nfs/dbraw/zinc/25/94/24/963259424.db2.gz VEYPHRDZHDLCGQ-AAEUAGOBSA-N 1 3 308.430 0.534 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001379607317 963259504 /nfs/dbraw/zinc/25/95/04/963259504.db2.gz VEYPHRDZHDLCGQ-WCQYABFASA-N 1 3 308.430 0.534 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001416922620 963363068 /nfs/dbraw/zinc/36/30/68/963363068.db2.gz SQSPWCYYDVLHMB-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001379703301 963405643 /nfs/dbraw/zinc/40/56/43/963405643.db2.gz CMUJCICJZVINCO-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CC(N)=O)CC2)C1 ZINC001380791309 963584849 /nfs/dbraw/zinc/58/48/49/963584849.db2.gz OBKMLNXMABBLLZ-IHRRRGAJSA-N 1 3 310.442 0.078 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC001380913553 963678646 /nfs/dbraw/zinc/67/86/46/963678646.db2.gz PPKVPWNMTTWOOV-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001380913978 963679100 /nfs/dbraw/zinc/67/91/00/963679100.db2.gz JIBORMNYFPEUQX-HUUCEWRRSA-N 1 3 313.442 0.180 20 0 DCADHO Cn1ccc(CNC2(C)CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001381130264 963833046 /nfs/dbraw/zinc/83/30/46/963833046.db2.gz YSBRRNIOPJQYBF-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC001381145786 963843972 /nfs/dbraw/zinc/84/39/72/963843972.db2.gz VTNXQQXKKASVIZ-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CO[C@H](C)C[NH+]1CCC(CO)(NC(=O)CN(C)C(C)C)CC1 ZINC001381268127 963931574 /nfs/dbraw/zinc/93/15/74/963931574.db2.gz OBAMYYXOBOUTEN-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001381340153 963983353 /nfs/dbraw/zinc/98/33/53/963983353.db2.gz QWIWDGGAUCCGCK-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCc1ccnn1C ZINC001368978854 964231199 /nfs/dbraw/zinc/23/11/99/964231199.db2.gz OFCXQHWKDTZGBX-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCc1ccnn1C ZINC001368978854 964231211 /nfs/dbraw/zinc/23/12/11/964231211.db2.gz OFCXQHWKDTZGBX-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001369152085 964462591 /nfs/dbraw/zinc/46/25/91/964462591.db2.gz HEKKPWWFJUFBHP-DOMZBBRYSA-N 1 3 306.410 0.958 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1 ZINC001369186957 964501839 /nfs/dbraw/zinc/50/18/39/964501839.db2.gz ULTUQJKAVAPXGC-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001369209223 964529119 /nfs/dbraw/zinc/52/91/19/964529119.db2.gz QILQGWFYFZAJKF-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001369209227 964529450 /nfs/dbraw/zinc/52/94/50/964529450.db2.gz QILQGWFYFZAJKF-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccn(C)n1 ZINC001447684582 1013504076 /nfs/dbraw/zinc/50/40/76/1013504076.db2.gz XWYPFWRRDHRDML-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccn(C)n1 ZINC001447684582 1013504081 /nfs/dbraw/zinc/50/40/81/1013504081.db2.gz XWYPFWRRDHRDML-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001369288063 964659035 /nfs/dbraw/zinc/65/90/35/964659035.db2.gz PCVWGLNWQUADIA-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001369288063 964659044 /nfs/dbraw/zinc/65/90/44/964659044.db2.gz PCVWGLNWQUADIA-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001369292262 964666789 /nfs/dbraw/zinc/66/67/89/964666789.db2.gz LBESFZSAYAXBDB-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001373845695 964708817 /nfs/dbraw/zinc/70/88/17/964708817.db2.gz ONKVSCGVSSTNRE-KBPBESRZSA-N 1 3 324.469 0.752 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001375761549 964804667 /nfs/dbraw/zinc/80/46/67/964804667.db2.gz GXBWIPUMHLXXON-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001373950723 964810307 /nfs/dbraw/zinc/81/03/07/964810307.db2.gz RDRLBDSCNQJXDG-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001375767868 964818455 /nfs/dbraw/zinc/81/84/55/964818455.db2.gz IZYVIHULTQGDSI-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001375769594 964818617 /nfs/dbraw/zinc/81/86/17/964818617.db2.gz ZMQBTUHGHQZLIB-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001375769594 964818626 /nfs/dbraw/zinc/81/86/26/964818626.db2.gz ZMQBTUHGHQZLIB-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001369394203 964887204 /nfs/dbraw/zinc/88/72/04/964887204.db2.gz DZRCHCRUMHYMDF-LZWOXQAQSA-N 1 3 315.433 0.772 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001369394203 964887215 /nfs/dbraw/zinc/88/72/15/964887215.db2.gz DZRCHCRUMHYMDF-LZWOXQAQSA-N 1 3 315.433 0.772 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC001369393162 964887586 /nfs/dbraw/zinc/88/75/86/964887586.db2.gz PABPASBWEUMKPQ-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC001369393162 964887593 /nfs/dbraw/zinc/88/75/93/964887593.db2.gz PABPASBWEUMKPQ-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNCc2nccn2C)CC[N@@H+]1C ZINC001374027431 964905798 /nfs/dbraw/zinc/90/57/98/964905798.db2.gz ZTQJYGZNIKGWDC-SOUVJXGZSA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)CNCc2nccn2C)CC[N@H+]1C ZINC001374027431 964905807 /nfs/dbraw/zinc/90/58/07/964905807.db2.gz ZTQJYGZNIKGWDC-SOUVJXGZSA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccnc1C)N(C)C ZINC001369477344 965046115 /nfs/dbraw/zinc/04/61/15/965046115.db2.gz IVKMDUOBHZYGPL-HZPDHXFCSA-N 1 3 322.453 0.639 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001374289702 965232902 /nfs/dbraw/zinc/23/29/02/965232902.db2.gz XCDHIWBONFXMMF-OBJOEFQTSA-N 1 3 322.457 0.780 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001374289702 965232910 /nfs/dbraw/zinc/23/29/10/965232910.db2.gz XCDHIWBONFXMMF-OBJOEFQTSA-N 1 3 322.457 0.780 20 0 DCADHO C[NH+](C)CCC(=O)NCCN(C(=O)Cc1c[nH]cn1)C1CC1 ZINC001374307941 965256701 /nfs/dbraw/zinc/25/67/01/965256701.db2.gz MNFAOQAHIZOURN-UHFFFAOYSA-N 1 3 307.398 0.011 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374306329 965259119 /nfs/dbraw/zinc/25/91/19/965259119.db2.gz QIRPBNMIJDPFCS-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CCCN1C ZINC001376217382 965393619 /nfs/dbraw/zinc/39/36/19/965393619.db2.gz AKZSQPUYBUJCTK-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001376262648 965452045 /nfs/dbraw/zinc/45/20/45/965452045.db2.gz PDQLHRIEYULSIY-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001376262648 965452050 /nfs/dbraw/zinc/45/20/50/965452050.db2.gz PDQLHRIEYULSIY-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001376266733 965457378 /nfs/dbraw/zinc/45/73/78/965457378.db2.gz AQMNCQIIRQNBHI-UONOGXRCSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001369834175 965468567 /nfs/dbraw/zinc/46/85/67/965468567.db2.gz AOUHTVBAHKDYDQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369834175 965468574 /nfs/dbraw/zinc/46/85/74/965468574.db2.gz AOUHTVBAHKDYDQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376334894 965535146 /nfs/dbraw/zinc/53/51/46/965535146.db2.gz XTCMKBVFGJUGIP-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376366458 965575933 /nfs/dbraw/zinc/57/59/33/965575933.db2.gz NMYIYETWISJMSJ-SHTZXODSSA-N 1 3 319.453 0.950 20 0 DCADHO O=C(NC[C@@H](O)CNCc1ccns1)[C@H]1C[NH+]2CCC1CC2 ZINC001374606068 965624777 /nfs/dbraw/zinc/62/47/77/965624777.db2.gz RAGSINTVJHUIQX-JSGCOSHPSA-N 1 3 324.450 0.052 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001370018033 965696397 /nfs/dbraw/zinc/69/63/97/965696397.db2.gz OAGVMQLPCMEQKV-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@]1(CO)CCCN(CCCF)C1 ZINC001376478565 965712843 /nfs/dbraw/zinc/71/28/43/965712843.db2.gz HFSGDSJAJXFNFO-OAHLLOKOSA-N 1 3 303.422 0.631 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001376547014 965815351 /nfs/dbraw/zinc/81/53/51/965815351.db2.gz KLBCTCCIFUHHJC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2cncn2C)C2CC2)CCC1 ZINC001370165298 965846844 /nfs/dbraw/zinc/84/68/44/965846844.db2.gz FKQQJQSXKTVRCW-OAHLLOKOSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001370263747 965935907 /nfs/dbraw/zinc/93/59/07/965935907.db2.gz JGWCDDDQCCTHTM-HIFRSBDPSA-N 1 3 312.458 0.145 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001370392189 966074240 /nfs/dbraw/zinc/07/42/40/966074240.db2.gz QYOKSEMCADZPGS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001370392189 966074253 /nfs/dbraw/zinc/07/42/53/966074253.db2.gz QYOKSEMCADZPGS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001370515308 966205862 /nfs/dbraw/zinc/20/58/62/966205862.db2.gz JEVMYUSGJMSCRS-UMVBOHGHSA-N 1 3 307.442 0.743 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001370633479 966306156 /nfs/dbraw/zinc/30/61/56/966306156.db2.gz CNOFOWCDFHHCHR-LZWOXQAQSA-N 1 3 324.469 0.336 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001381409241 966391266 /nfs/dbraw/zinc/39/12/66/966391266.db2.gz HTVRTGHZUGCCPS-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)C[C@@H]1CCc2ncnn21 ZINC001381573309 966546748 /nfs/dbraw/zinc/54/67/48/966546748.db2.gz LKUUDUUPNMKCSA-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)COC)N(C)C ZINC001370952566 966614912 /nfs/dbraw/zinc/61/49/12/966614912.db2.gz RVWLOSHUBPMGPU-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001381751962 966662741 /nfs/dbraw/zinc/66/27/41/966662741.db2.gz UALQKWPPIHERRW-MELADBBJSA-N 1 3 312.458 0.467 20 0 DCADHO CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001381751962 966662745 /nfs/dbraw/zinc/66/27/45/966662745.db2.gz UALQKWPPIHERRW-MELADBBJSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1)[NH+](C)C ZINC001371214000 966819239 /nfs/dbraw/zinc/81/92/39/966819239.db2.gz SCNKYQKXIBYWFB-WFASDCNBSA-N 1 3 312.458 0.288 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001381965279 966823327 /nfs/dbraw/zinc/82/33/27/966823327.db2.gz DDMZPOIKFZJRKO-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001381988545 966846255 /nfs/dbraw/zinc/84/62/55/966846255.db2.gz MCWDLVOHKALVIC-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001381988545 966846263 /nfs/dbraw/zinc/84/62/63/966846263.db2.gz MCWDLVOHKALVIC-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001382043666 966885449 /nfs/dbraw/zinc/88/54/49/966885449.db2.gz OVASJFKUNBBVFV-CABCVRRESA-N 1 3 322.453 0.043 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001371308202 966889992 /nfs/dbraw/zinc/88/99/92/966889992.db2.gz PLYZUEUPWAFUPT-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001382125764 966961531 /nfs/dbraw/zinc/96/15/31/966961531.db2.gz UKUZDSMDTKRHGE-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1)N(C)C ZINC001382257666 967128935 /nfs/dbraw/zinc/12/89/35/967128935.db2.gz TZTISDFRQZJYIO-LSDHHAIUSA-N 1 3 315.458 0.066 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001371574438 967132392 /nfs/dbraw/zinc/13/23/92/967132392.db2.gz OPFFYTKWTWOTFO-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NC2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001382279642 967160560 /nfs/dbraw/zinc/16/05/60/967160560.db2.gz AZOBHKCHCHVESI-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001430739145 1013704650 /nfs/dbraw/zinc/70/46/50/1013704650.db2.gz PMHWTQYLUOEHAK-LLVKDONJSA-N 1 3 321.425 0.223 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)CCC[NH+](C)C ZINC001371635966 967189292 /nfs/dbraw/zinc/18/92/92/967189292.db2.gz OJKTUPFZMHVIJJ-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001382306827 967192243 /nfs/dbraw/zinc/19/22/43/967192243.db2.gz CJUOLLNKXIRRHN-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001382306827 967192249 /nfs/dbraw/zinc/19/22/49/967192249.db2.gz CJUOLLNKXIRRHN-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001382311724 967201044 /nfs/dbraw/zinc/20/10/44/967201044.db2.gz IPLSTYLCBKBOSH-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C[C@H]1C ZINC001382311614 967201320 /nfs/dbraw/zinc/20/13/20/967201320.db2.gz KQPFXMIYKOOZJJ-UKRRQHHQSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)CN1C(=O)CN1CCCC1 ZINC001382316144 967208283 /nfs/dbraw/zinc/20/82/83/967208283.db2.gz QWKJDBQFRBXHSB-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001372295477 967857960 /nfs/dbraw/zinc/85/79/60/967857960.db2.gz WKDAFLKQOYLPBW-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001372956264 968564756 /nfs/dbraw/zinc/56/47/56/968564756.db2.gz ZMGDNQSKFOAQFA-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001448601737 1013965144 /nfs/dbraw/zinc/96/51/44/1013965144.db2.gz IHJFFXHOSDGQJT-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001431352474 1014011253 /nfs/dbraw/zinc/01/12/53/1014011253.db2.gz OXLRMGJZBYYZNJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001448937713 1014101604 /nfs/dbraw/zinc/10/16/04/1014101604.db2.gz OQTSBPMBBWUEOV-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO COc1cccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001448946268 1014104371 /nfs/dbraw/zinc/10/43/71/1014104371.db2.gz AMUQPOGOPHZRRB-LSDHHAIUSA-N 1 3 321.421 0.214 20 0 DCADHO COc1cccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001448946268 1014104373 /nfs/dbraw/zinc/10/43/73/1014104373.db2.gz AMUQPOGOPHZRRB-LSDHHAIUSA-N 1 3 321.421 0.214 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001448974772 1014113502 /nfs/dbraw/zinc/11/35/02/1014113502.db2.gz LORQAYIPDSABSJ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)[C@H]1C ZINC001448981286 1014117183 /nfs/dbraw/zinc/11/71/83/1014117183.db2.gz VYKNVSSEJSAJDJ-GDBMZVCRSA-N 1 3 321.469 0.882 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001449016860 1014135282 /nfs/dbraw/zinc/13/52/82/1014135282.db2.gz PYGHRIKLEBEOQB-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001449016860 1014135286 /nfs/dbraw/zinc/13/52/86/1014135286.db2.gz PYGHRIKLEBEOQB-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001522808891 1014390639 /nfs/dbraw/zinc/39/06/39/1014390639.db2.gz DWJBZNZFFLLDJK-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001522808891 1014390652 /nfs/dbraw/zinc/39/06/52/1014390652.db2.gz DWJBZNZFFLLDJK-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)N2CCN3C[C@@H](O)C[C@H]3C2)cc1 ZINC001549799938 1014461246 /nfs/dbraw/zinc/46/12/46/1014461246.db2.gz VKDZCBQCXUXIRR-CAOSSQGBSA-N 1 3 316.405 0.784 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)CC[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001550095760 1014565877 /nfs/dbraw/zinc/56/58/77/1014565877.db2.gz RCGWUGZWYMQDRD-TZMCWYRMSA-N 1 3 306.414 0.290 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001523177086 1014598423 /nfs/dbraw/zinc/59/84/23/1014598423.db2.gz HZEHILUVSBFEAI-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001523177086 1014598435 /nfs/dbraw/zinc/59/84/35/1014598435.db2.gz HZEHILUVSBFEAI-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1F ZINC001550282864 1014649082 /nfs/dbraw/zinc/64/90/82/1014649082.db2.gz AYVMKPJFMBULSR-FRRDWIJNSA-N 1 3 314.405 0.226 20 0 DCADHO CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(C)C1 ZINC001550284582 1014650693 /nfs/dbraw/zinc/65/06/93/1014650693.db2.gz TWQQWARTUMVFFE-UONOGXRCSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)[C@@H]1CCCN1C ZINC001523369045 1014671735 /nfs/dbraw/zinc/67/17/35/1014671735.db2.gz DOOZUZYGZOZKPW-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)[C@@H]1CCCN1C ZINC001523369045 1014671741 /nfs/dbraw/zinc/67/17/41/1014671741.db2.gz DOOZUZYGZOZKPW-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](N(C)C)[C@H](n2ccnn2)C1 ZINC001550602376 1014772485 /nfs/dbraw/zinc/77/24/85/1014772485.db2.gz MZICXRMJOPXZTF-RBSFLKMASA-N 1 3 320.441 0.464 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](N(C)C)[C@H](n2ccnn2)C1 ZINC001550602376 1014772495 /nfs/dbraw/zinc/77/24/95/1014772495.db2.gz MZICXRMJOPXZTF-RBSFLKMASA-N 1 3 320.441 0.464 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001449925864 1014790809 /nfs/dbraw/zinc/79/08/09/1014790809.db2.gz QLHMYPCHPMAINH-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449925864 1014790818 /nfs/dbraw/zinc/79/08/18/1014790818.db2.gz QLHMYPCHPMAINH-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)C[C@H]21 ZINC001550753284 1014838046 /nfs/dbraw/zinc/83/80/46/1014838046.db2.gz DEBZWYDTAQYHNP-FPCVCCKLSA-N 1 3 300.406 0.547 20 0 DCADHO CN1CCC[C@@H](NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550760457 1014849958 /nfs/dbraw/zinc/84/99/58/1014849958.db2.gz GFFRXYHFRBIOBO-ZIAGYGMSSA-N 1 3 310.442 0.539 20 0 DCADHO Nc1nc(C2CC2)nc(N2CCN(C[C@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001551395639 1015035579 /nfs/dbraw/zinc/03/55/79/1015035579.db2.gz YPKHZNIXVJMZRL-AAEUAGOBSA-N 1 3 317.441 0.581 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001383040019 984638504 /nfs/dbraw/zinc/63/85/04/984638504.db2.gz BMIWDXRLTUZNGB-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383717020 985036155 /nfs/dbraw/zinc/03/61/55/985036155.db2.gz LYBCPDUMTNGFNU-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383717020 985036172 /nfs/dbraw/zinc/03/61/72/985036172.db2.gz LYBCPDUMTNGFNU-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001450374845 1015097054 /nfs/dbraw/zinc/09/70/54/1015097054.db2.gz QRARQWZWVVGKTO-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001450374845 1015097066 /nfs/dbraw/zinc/09/70/66/1015097066.db2.gz QRARQWZWVVGKTO-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001551465541 1015101206 /nfs/dbraw/zinc/10/12/06/1015101206.db2.gz MSKHEKGFMZZKOC-ZIAGYGMSSA-N 1 3 322.453 0.681 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)[C@@H](C)CN1 ZINC001551562083 1015137794 /nfs/dbraw/zinc/13/77/94/1015137794.db2.gz QZTXCELNEACOEL-URBCHYCLSA-N 1 3 320.359 0.920 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385372127 986303155 /nfs/dbraw/zinc/30/31/55/986303155.db2.gz GHJHEWWVCSORIV-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385372127 986303159 /nfs/dbraw/zinc/30/31/59/986303159.db2.gz GHJHEWWVCSORIV-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)CC(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001385417045 986333824 /nfs/dbraw/zinc/33/38/24/986333824.db2.gz YYWOAEKXRXOQKC-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(CC)CC(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001385417045 986333832 /nfs/dbraw/zinc/33/38/32/986333832.db2.gz YYWOAEKXRXOQKC-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001385944436 986701791 /nfs/dbraw/zinc/70/17/91/986701791.db2.gz XLMNUBGKRXWZMO-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001386014937 986753288 /nfs/dbraw/zinc/75/32/88/986753288.db2.gz LIVNWIWTPUEWFA-OKILXGFUSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001386014937 986753296 /nfs/dbraw/zinc/75/32/96/986753296.db2.gz LIVNWIWTPUEWFA-OKILXGFUSA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001386320324 987072057 /nfs/dbraw/zinc/07/20/57/987072057.db2.gz CZOXBWODOJCNIS-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162268 1015297624 /nfs/dbraw/zinc/29/76/24/1015297624.db2.gz XTEJLFPLANPIMS-LBPRGKRZSA-N 1 3 313.365 0.106 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001386969510 987537641 /nfs/dbraw/zinc/53/76/41/987537641.db2.gz LBSKLUOKTSENQR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001386969510 987537646 /nfs/dbraw/zinc/53/76/46/987537646.db2.gz LBSKLUOKTSENQR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CCC[C@@H]1C ZINC001526727543 1015328958 /nfs/dbraw/zinc/32/89/58/1015328958.db2.gz CEKRXSJYNHVUJQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001387377172 987796080 /nfs/dbraw/zinc/79/60/80/987796080.db2.gz BBNNIKINMOBEDP-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552218062 1015335459 /nfs/dbraw/zinc/33/54/59/1015335459.db2.gz KZGBZKFSWCCORB-KMFMINBZSA-N 1 3 317.389 0.522 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001552245195 1015347121 /nfs/dbraw/zinc/34/71/21/1015347121.db2.gz DFYIUODFEZVHAI-IHRRRGAJSA-N 1 3 321.429 0.224 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001387742242 988107080 /nfs/dbraw/zinc/10/70/80/988107080.db2.gz BIQRPYYBMKBIBR-UHFFFAOYSA-N 1 3 322.453 0.282 20 0 DCADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@H]1CCCN1C ZINC001388403336 988273487 /nfs/dbraw/zinc/27/34/87/988273487.db2.gz DLUYLNGOXCZKLP-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001388700651 988523465 /nfs/dbraw/zinc/52/34/65/988523465.db2.gz XXNPCOUNUWYWBV-XGUBFFRZSA-N 1 3 324.469 0.336 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001388702487 988523587 /nfs/dbraw/zinc/52/35/87/988523587.db2.gz IFLPHFSZIOKDIB-SYQHCUMBSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001388735780 988549223 /nfs/dbraw/zinc/54/92/23/988549223.db2.gz QFLAIURCKFLHGD-IHRRRGAJSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@H]1CCc2ncnn21 ZINC001388788611 988595043 /nfs/dbraw/zinc/59/50/43/988595043.db2.gz CDZHOJUMJSOCBT-MCIONIFRSA-N 1 3 320.441 0.296 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)[C@H]1CCCN1C ZINC001388895045 988653347 /nfs/dbraw/zinc/65/33/47/988653347.db2.gz SYPVHKHVJXFCKF-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001389230560 989005953 /nfs/dbraw/zinc/00/59/53/989005953.db2.gz CWQOYGQMFVKESF-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001389230560 989005957 /nfs/dbraw/zinc/00/59/57/989005957.db2.gz CWQOYGQMFVKESF-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001450929164 1015458754 /nfs/dbraw/zinc/45/87/54/1015458754.db2.gz GOFKDWQAEVATLT-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001450929164 1015458755 /nfs/dbraw/zinc/45/87/55/1015458755.db2.gz GOFKDWQAEVATLT-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cn1cc(CN2CCC3(C[C@@H]3NC(=O)CC[NH+](C)C)CC2)cn1 ZINC001389521944 989360115 /nfs/dbraw/zinc/36/01/15/989360115.db2.gz JXFRUPKIUBVKAD-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001389620631 989436546 /nfs/dbraw/zinc/43/65/46/989436546.db2.gz ZYZORAUXFHEHJG-SOUVJXGZSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001389620631 989436554 /nfs/dbraw/zinc/43/65/54/989436554.db2.gz ZYZORAUXFHEHJG-SOUVJXGZSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001389636950 989452313 /nfs/dbraw/zinc/45/23/13/989452313.db2.gz CCDYTTUEEZNYPU-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001389636950 989452316 /nfs/dbraw/zinc/45/23/16/989452316.db2.gz CCDYTTUEEZNYPU-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC001389906798 989675310 /nfs/dbraw/zinc/67/53/10/989675310.db2.gz CQNDRSXFHNZCDH-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001389972760 989721409 /nfs/dbraw/zinc/72/14/09/989721409.db2.gz CHFWPAZXBDSBIW-BYNSBNAKSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001390008573 989744651 /nfs/dbraw/zinc/74/46/51/989744651.db2.gz IQZREKNGWFDVBT-GASCZTMLSA-N 1 3 322.457 0.474 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001390088568 989810007 /nfs/dbraw/zinc/81/00/07/989810007.db2.gz YXIWDQIWTMFGBE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001390088568 989810019 /nfs/dbraw/zinc/81/00/19/989810019.db2.gz YXIWDQIWTMFGBE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO NC(=O)CNC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001390153567 989872705 /nfs/dbraw/zinc/87/27/05/989872705.db2.gz GGPGNXLLAFWSSF-OAHLLOKOSA-N 1 3 324.469 0.709 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001390161130 989879050 /nfs/dbraw/zinc/87/90/50/989879050.db2.gz SJAYEZFDOTUXNZ-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]21)N(C)C ZINC001390244776 989933496 /nfs/dbraw/zinc/93/34/96/989933496.db2.gz RHVCPFNEUJVZOX-OWYFMNJBSA-N 1 3 311.470 0.780 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]21)N(C)C ZINC001390244776 989933500 /nfs/dbraw/zinc/93/35/00/989933500.db2.gz RHVCPFNEUJVZOX-OWYFMNJBSA-N 1 3 311.470 0.780 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCc2ncnn21 ZINC001390407423 990072372 /nfs/dbraw/zinc/07/23/72/990072372.db2.gz UOEDSPCDZGMUFI-QWHCGFSZSA-N 1 3 320.441 0.344 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1cnn(C)c1 ZINC001390445658 990110800 /nfs/dbraw/zinc/11/08/00/990110800.db2.gz XZMVPCAWHHIXNI-CYBMUJFWSA-N 1 3 305.426 0.643 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cc1nc[nH]c1C ZINC001390464066 990124720 /nfs/dbraw/zinc/12/47/20/990124720.db2.gz BYSMBQJNYOTQDR-STQMWFEESA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cc1nc[nH]c1C ZINC001390464066 990124723 /nfs/dbraw/zinc/12/47/23/990124723.db2.gz BYSMBQJNYOTQDR-STQMWFEESA-N 1 3 321.425 0.223 20 0 DCADHO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NC/C=C\Cl ZINC001390497958 990152243 /nfs/dbraw/zinc/15/22/43/990152243.db2.gz UWOJNGPECYFPQC-QMAVJUDZSA-N 1 3 313.833 0.905 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001390594190 990229110 /nfs/dbraw/zinc/22/91/10/990229110.db2.gz UFVLHXDUNGGOHZ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cnnn2CC)C1 ZINC001390603536 990238916 /nfs/dbraw/zinc/23/89/16/990238916.db2.gz HUDCZHXWZHUFTO-CQSZACIVSA-N 1 3 322.457 0.578 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001390666411 990289233 /nfs/dbraw/zinc/28/92/33/990289233.db2.gz RVBXTMNERFVAFO-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001451047674 1015557465 /nfs/dbraw/zinc/55/74/65/1015557465.db2.gz HXEPWXMRPOCOBD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001451047674 1015557476 /nfs/dbraw/zinc/55/74/76/1015557476.db2.gz HXEPWXMRPOCOBD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001391210284 990670570 /nfs/dbraw/zinc/67/05/70/990670570.db2.gz PCQMQSGSUPUDCR-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001391210284 990670573 /nfs/dbraw/zinc/67/05/73/990670573.db2.gz PCQMQSGSUPUDCR-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001391226549 990685332 /nfs/dbraw/zinc/68/53/32/990685332.db2.gz NFVCTCCPTPPGPI-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(CCCO)C1)[NH+]1CCCCC1 ZINC001391520433 990912578 /nfs/dbraw/zinc/91/25/78/990912578.db2.gz CNGYYOUDNSQQJR-MRXNPFEDSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H](C(=O)N[C@](C)(C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001391794716 991188832 /nfs/dbraw/zinc/18/88/32/991188832.db2.gz GUOFEDNKPJQPIW-CZUORRHYSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001391850452 991220550 /nfs/dbraw/zinc/22/05/50/991220550.db2.gz XEZMOHYHOMLRFG-ZDUSSCGKSA-N 1 3 324.469 0.420 20 0 DCADHO CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)Cc1c[nH]cn1 ZINC001391882137 991253937 /nfs/dbraw/zinc/25/39/37/991253937.db2.gz NPDUXLKHNNBVAB-UHFFFAOYSA-N 1 3 321.425 0.211 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392070265 991460940 /nfs/dbraw/zinc/46/09/40/991460940.db2.gz FXVILPHTZLVWIE-CHWSQXEVSA-N 1 3 312.458 0.384 20 0 DCADHO CCn1cc(CNC[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001392351036 991792225 /nfs/dbraw/zinc/79/22/25/991792225.db2.gz ZBLUDHCHEBAFIX-ZFWWWQNUSA-N 1 3 322.457 0.624 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001392392878 991862056 /nfs/dbraw/zinc/86/20/56/991862056.db2.gz YGMOQTWOQSERQV-CVEARBPZSA-N 1 3 322.453 0.543 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2cncc(F)c2)C1 ZINC001392403526 991878756 /nfs/dbraw/zinc/87/87/56/991878756.db2.gz VHPPZYQYNGRMKB-SWLSCSKDSA-N 1 3 324.400 0.129 20 0 DCADHO C[C@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001392450845 991943859 /nfs/dbraw/zinc/94/38/59/991943859.db2.gz YDYNIJNRAHXCGI-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CN(C)CC(C)(C)C ZINC001392451520 991947333 /nfs/dbraw/zinc/94/73/33/991947333.db2.gz AMRAFEFAVCDRQM-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)CN(C)C(C)C ZINC001392455380 991949557 /nfs/dbraw/zinc/94/95/57/991949557.db2.gz GAKPQSDZRLHKAH-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CN1CCC(C)CC1 ZINC001392459291 991955089 /nfs/dbraw/zinc/95/50/89/991955089.db2.gz IHEJXYIQMTYHEL-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001392489869 991998169 /nfs/dbraw/zinc/99/81/69/991998169.db2.gz YJSOWKZPHKCWON-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001392489869 991998175 /nfs/dbraw/zinc/99/81/75/991998175.db2.gz YJSOWKZPHKCWON-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001392517558 992035291 /nfs/dbraw/zinc/03/52/91/992035291.db2.gz AMWPTOWVXNUHSL-GFCCVEGCSA-N 1 3 306.410 0.202 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392660768 992226225 /nfs/dbraw/zinc/22/62/25/992226225.db2.gz VDEGJFUKKVTBAW-ZBFHGGJFSA-N 1 3 319.453 0.661 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(=O)N(C)C ZINC001392794283 992404886 /nfs/dbraw/zinc/40/48/86/992404886.db2.gz MPZDUVIHORPJGC-TZMCWYRMSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC001392963214 992587519 /nfs/dbraw/zinc/58/75/19/992587519.db2.gz IEOTVPJLDMWOPH-UHFFFAOYSA-N 1 3 320.437 0.464 20 0 DCADHO C[C@@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001393379300 992929550 /nfs/dbraw/zinc/92/95/50/992929550.db2.gz CTAPUMWUKXFQFB-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001393473667 993020469 /nfs/dbraw/zinc/02/04/69/993020469.db2.gz NMTIDYHZDDNBOP-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001393557463 993080608 /nfs/dbraw/zinc/08/06/08/993080608.db2.gz SMXFKKDJSZCQFP-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001393566224 993089181 /nfs/dbraw/zinc/08/91/81/993089181.db2.gz LEPBTJYWPDGFGK-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001393696872 993185267 /nfs/dbraw/zinc/18/52/67/993185267.db2.gz OCWLQYHJWZEKES-WBVHZDCISA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001393902764 993333084 /nfs/dbraw/zinc/33/30/84/993333084.db2.gz NLKQYUNNMYXRJA-PXCJXSSVSA-N 1 3 324.469 0.336 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCn1cncn1 ZINC001393979972 993389246 /nfs/dbraw/zinc/38/92/46/993389246.db2.gz LSZCBAUAFKHDIJ-WDEREUQCSA-N 1 3 305.386 0.035 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001394376923 993663916 /nfs/dbraw/zinc/66/39/16/993663916.db2.gz VLPUQARMMOPDCK-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001394390341 993672939 /nfs/dbraw/zinc/67/29/39/993672939.db2.gz KGNWXGNIOIKKHC-QHSBEEBCSA-N 1 3 324.469 0.478 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001394443303 993709423 /nfs/dbraw/zinc/70/94/23/993709423.db2.gz UMRASUJUFWCDKV-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001394504235 993777274 /nfs/dbraw/zinc/77/72/74/993777274.db2.gz XXUXVBMUSMDCLB-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001394532031 993805147 /nfs/dbraw/zinc/80/51/47/993805147.db2.gz YCZJDBCHGFATJG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001394532031 993805156 /nfs/dbraw/zinc/80/51/56/993805156.db2.gz YCZJDBCHGFATJG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394548652 993818333 /nfs/dbraw/zinc/81/83/33/993818333.db2.gz ARXFGRLPJRADBH-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394548652 993818337 /nfs/dbraw/zinc/81/83/37/993818337.db2.gz ARXFGRLPJRADBH-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccnn2C)C1)N(C)C ZINC001399959516 993988771 /nfs/dbraw/zinc/98/87/71/993988771.db2.gz XZJZEAPSZVGRDU-ZBFHGGJFSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccnn2C)C1)N(C)C ZINC001399959516 993988774 /nfs/dbraw/zinc/98/87/74/993988774.db2.gz XZJZEAPSZVGRDU-ZBFHGGJFSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC2CC2)C[C@H]1C ZINC001394671155 994000099 /nfs/dbraw/zinc/00/00/99/994000099.db2.gz PXKOFOZXVSTCAK-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC2CC2)C[C@H]1C ZINC001394671155 994000108 /nfs/dbraw/zinc/00/01/08/994000108.db2.gz PXKOFOZXVSTCAK-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCC(=O)NC)C(C)(C)C1 ZINC001394722950 994056051 /nfs/dbraw/zinc/05/60/51/994056051.db2.gz WMWILWQJDUOVLE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCC(=O)NC)C(C)(C)C1 ZINC001394722950 994056058 /nfs/dbraw/zinc/05/60/58/994056058.db2.gz WMWILWQJDUOVLE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001400077412 994136762 /nfs/dbraw/zinc/13/67/62/994136762.db2.gz ASZBNHOGAKHPGN-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H]([NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001400110734 994162682 /nfs/dbraw/zinc/16/26/82/994162682.db2.gz RMDIZDJIOISVIV-FZMZJTMJSA-N 1 3 321.425 0.433 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001400221211 994302090 /nfs/dbraw/zinc/30/20/90/994302090.db2.gz FOPWZNQXHYUHDB-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001400221211 994302100 /nfs/dbraw/zinc/30/21/00/994302100.db2.gz FOPWZNQXHYUHDB-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001394972317 994319672 /nfs/dbraw/zinc/31/96/72/994319672.db2.gz RLHJGMXBAIJVNV-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001400713618 994832426 /nfs/dbraw/zinc/83/24/26/994832426.db2.gz VIYTZRHLHJIYBE-HNNXBMFYSA-N 1 3 307.442 0.447 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001507033796 1015908178 /nfs/dbraw/zinc/90/81/78/1015908178.db2.gz AEQMNVXRYFDGTG-JSGCOSHPSA-N 1 3 312.458 0.288 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401113161 995189972 /nfs/dbraw/zinc/18/99/72/995189972.db2.gz DOEDLUDFDKFJRF-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001397095886 995793404 /nfs/dbraw/zinc/79/34/04/995793404.db2.gz JDDKNIMZNZJGHJ-LZWOXQAQSA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001397200806 995858803 /nfs/dbraw/zinc/85/88/03/995858803.db2.gz DXGNPVCWCQOVFL-ZQDZILKHSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001397200806 995858816 /nfs/dbraw/zinc/85/88/16/995858816.db2.gz DXGNPVCWCQOVFL-ZQDZILKHSA-N 1 3 324.469 0.288 20 0 DCADHO CCOCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001502589841 1015986816 /nfs/dbraw/zinc/98/68/16/1015986816.db2.gz YZSOSNDEBFYHRD-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO COc1ccc(CN[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001397674405 996125666 /nfs/dbraw/zinc/12/56/66/996125666.db2.gz KMRWDLCUFKNHQN-MQMHXKEQSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@H](NCC(=O)NC1CC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001398196597 996407777 /nfs/dbraw/zinc/40/77/77/996407777.db2.gz DTCPQHVSAAFTDT-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001398356694 996485141 /nfs/dbraw/zinc/48/51/41/996485141.db2.gz BYLBXSCETZTTEN-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CC[C@H](N[C@@H](CNC(=O)CCC[NH+](C)C)C2CC2)C1=O ZINC001398429258 996512405 /nfs/dbraw/zinc/51/24/05/996512405.db2.gz ADVOFCLWXDMOJG-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001398537537 996560583 /nfs/dbraw/zinc/56/05/83/996560583.db2.gz ZXUFGWNNTOZAIO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001398770283 996680617 /nfs/dbraw/zinc/68/06/17/996680617.db2.gz RZRBONBMEFWNJN-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001398931532 996757211 /nfs/dbraw/zinc/75/72/11/996757211.db2.gz XIJRXFPONZIJOS-TZMCWYRMSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001398931532 996757216 /nfs/dbraw/zinc/75/72/16/996757216.db2.gz XIJRXFPONZIJOS-TZMCWYRMSA-N 1 3 310.442 0.232 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001502762679 1016061870 /nfs/dbraw/zinc/06/18/70/1016061870.db2.gz ULLDMVWCOIYVSL-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001398949454 996768233 /nfs/dbraw/zinc/76/82/33/996768233.db2.gz MFENZJGAGGVHSR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001398949454 996768239 /nfs/dbraw/zinc/76/82/39/996768239.db2.gz MFENZJGAGGVHSR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001398957988 996775353 /nfs/dbraw/zinc/77/53/53/996775353.db2.gz OEZYZIUAEBXYBI-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001398957988 996775359 /nfs/dbraw/zinc/77/53/59/996775359.db2.gz OEZYZIUAEBXYBI-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001399018780 996844090 /nfs/dbraw/zinc/84/40/90/996844090.db2.gz DALGFDZBCBJGNP-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC1([NH2+]CCn2cccn2)CCN(C(=O)CN2CCCC2)CC1 ZINC001502810105 1016077506 /nfs/dbraw/zinc/07/75/06/1016077506.db2.gz WCHIMVIBWKNVRL-UHFFFAOYSA-N 1 3 319.453 0.950 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001404528292 997205795 /nfs/dbraw/zinc/20/57/95/997205795.db2.gz ZMWABTLJYGZKHX-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001404528292 997205804 /nfs/dbraw/zinc/20/58/04/997205804.db2.gz ZMWABTLJYGZKHX-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001404573219 997246418 /nfs/dbraw/zinc/24/64/18/997246418.db2.gz GQWMXRYYAAUOHI-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001404573219 997246427 /nfs/dbraw/zinc/24/64/27/997246427.db2.gz GQWMXRYYAAUOHI-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001404640209 997319796 /nfs/dbraw/zinc/31/97/96/997319796.db2.gz UVLJSLHSLDEXKR-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404640209 997319804 /nfs/dbraw/zinc/31/98/04/997319804.db2.gz UVLJSLHSLDEXKR-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001404640203 997321008 /nfs/dbraw/zinc/32/10/08/997321008.db2.gz UVLJSLHSLDEXKR-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001404640203 997321020 /nfs/dbraw/zinc/32/10/20/997321020.db2.gz UVLJSLHSLDEXKR-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001404652712 997334028 /nfs/dbraw/zinc/33/40/28/997334028.db2.gz OUXOEZUBRPCJDU-XGUBFFRZSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001404652712 997334038 /nfs/dbraw/zinc/33/40/38/997334038.db2.gz OUXOEZUBRPCJDU-XGUBFFRZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001404666206 997356101 /nfs/dbraw/zinc/35/61/01/997356101.db2.gz AJEJLPVAJGWGLK-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](O)CCCN1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001404904349 997577510 /nfs/dbraw/zinc/57/75/10/997577510.db2.gz IJVSRUGMHGVNHM-CQSZACIVSA-N 1 3 311.470 0.927 20 0 DCADHO CN(CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1)CC(C)(C)C ZINC001507232075 1016156480 /nfs/dbraw/zinc/15/64/80/1016156480.db2.gz IULZULDAHFLMIW-UONOGXRCSA-N 1 3 315.458 0.068 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001405262336 998029096 /nfs/dbraw/zinc/02/90/96/998029096.db2.gz BUKSRKIBNARHHU-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO Cc1ccc(C)c(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001507259210 1016189461 /nfs/dbraw/zinc/18/94/61/1016189461.db2.gz CURZYSRVKZMCLO-RDJZCZTQSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(C)c(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001507259210 1016189466 /nfs/dbraw/zinc/18/94/66/1016189466.db2.gz CURZYSRVKZMCLO-RDJZCZTQSA-N 1 3 319.449 0.822 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001405591267 998364599 /nfs/dbraw/zinc/36/45/99/998364599.db2.gz GDAFSVYPSSAXRC-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO COc1ccc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001405745961 998527427 /nfs/dbraw/zinc/52/74/27/998527427.db2.gz VIFZCMMRAWHJJK-QWHCGFSZSA-N 1 3 321.425 0.279 20 0 DCADHO COc1ccc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001405745961 998527440 /nfs/dbraw/zinc/52/74/40/998527440.db2.gz VIFZCMMRAWHJJK-QWHCGFSZSA-N 1 3 321.425 0.279 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001505521601 1016285383 /nfs/dbraw/zinc/28/53/83/1016285383.db2.gz HDYSUICOFNHJQZ-RUXDESIVSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C)[NH+](C)C ZINC001401226195 1000288680 /nfs/dbraw/zinc/28/86/80/1000288680.db2.gz FGDFATKSDLYTDU-JSGCOSHPSA-N 1 3 300.447 0.097 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001401295208 1000335784 /nfs/dbraw/zinc/33/57/84/1000335784.db2.gz GOLUPCNRQRLRSU-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1CNCC(N)=O ZINC001401307745 1000341469 /nfs/dbraw/zinc/34/14/69/1000341469.db2.gz GUWAMDZILOCCQF-OCCSQVGLSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001401350634 1000367067 /nfs/dbraw/zinc/36/70/67/1000367067.db2.gz FBRKCHPFOVQNIU-KBPBESRZSA-N 1 3 314.474 0.534 20 0 DCADHO CCCC[C@@H](C(N)=O)N1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001418643729 1000416503 /nfs/dbraw/zinc/41/65/03/1000416503.db2.gz ACHXJANAGBYZCH-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@@H](C)C1 ZINC001401550830 1000487800 /nfs/dbraw/zinc/48/78/00/1000487800.db2.gz FLWVLGBMZWCIIO-CJNGLKHVSA-N 1 3 320.437 0.299 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001401586379 1000523129 /nfs/dbraw/zinc/52/31/29/1000523129.db2.gz HXRQEIZIJDHTCF-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001401586381 1000523149 /nfs/dbraw/zinc/52/31/49/1000523149.db2.gz HXRQEIZIJDHTCF-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CCCO)[C@@H]1C ZINC001418791928 1000523277 /nfs/dbraw/zinc/52/32/77/1000523277.db2.gz QRQHXVGITMMMHH-RDBSUJKOSA-N 1 3 303.422 0.628 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1C ZINC001418791928 1000523282 /nfs/dbraw/zinc/52/32/82/1000523282.db2.gz QRQHXVGITMMMHH-RDBSUJKOSA-N 1 3 303.422 0.628 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001401586382 1000523438 /nfs/dbraw/zinc/52/34/38/1000523438.db2.gz HXRQEIZIJDHTCF-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001418816236 1000546245 /nfs/dbraw/zinc/54/62/45/1000546245.db2.gz BOSFHRCMFUZNDM-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001418816236 1000546251 /nfs/dbraw/zinc/54/62/51/1000546251.db2.gz BOSFHRCMFUZNDM-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001401618377 1000556407 /nfs/dbraw/zinc/55/64/07/1000556407.db2.gz KRZLIPHQFDAAOT-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401637470 1000577884 /nfs/dbraw/zinc/57/78/84/1000577884.db2.gz HXNOGWGDHTZAPV-RDBSUJKOSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401637470 1000577890 /nfs/dbraw/zinc/57/78/90/1000577890.db2.gz HXNOGWGDHTZAPV-RDBSUJKOSA-N 1 3 307.442 0.745 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@@H](CCNC(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001418884752 1000589639 /nfs/dbraw/zinc/58/96/39/1000589639.db2.gz GTHRIBZFZAQSBM-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001418884752 1000589643 /nfs/dbraw/zinc/58/96/43/1000589643.db2.gz GTHRIBZFZAQSBM-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001401679782 1000618859 /nfs/dbraw/zinc/61/88/59/1000618859.db2.gz AHHOIULAVWQWQB-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001401679782 1000618862 /nfs/dbraw/zinc/61/88/62/1000618862.db2.gz AHHOIULAVWQWQB-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505677904 1016436084 /nfs/dbraw/zinc/43/60/84/1016436084.db2.gz JYUUMRADHZYTIQ-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(=O)N(C)C ZINC001401878565 1000812757 /nfs/dbraw/zinc/81/27/57/1000812757.db2.gz WBLHXNSPCXGMKW-TZMCWYRMSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccnn1C ZINC001419194334 1000870572 /nfs/dbraw/zinc/87/05/72/1000870572.db2.gz XPMZFINGUZGTMF-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(C)C ZINC001419236386 1000904468 /nfs/dbraw/zinc/90/44/68/1000904468.db2.gz AMKWECSMSCXMPM-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+][C@@H]2CCCNC2=O)C2CC2)CCC1 ZINC001419259952 1000926583 /nfs/dbraw/zinc/92/65/83/1000926583.db2.gz IPTCHBFPSXSOCP-ZIAGYGMSSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001419272436 1000938847 /nfs/dbraw/zinc/93/88/47/1000938847.db2.gz MWAJFQSSLXMODZ-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402015515 1000946570 /nfs/dbraw/zinc/94/65/70/1000946570.db2.gz RDJBUYVVGVYKLD-PBHICJAKSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402015515 1000946574 /nfs/dbraw/zinc/94/65/74/1000946574.db2.gz RDJBUYVVGVYKLD-PBHICJAKSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C(C)C ZINC001419293529 1000954368 /nfs/dbraw/zinc/95/43/68/1000954368.db2.gz XHVCJLBGMCSCMM-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C(C)C ZINC001419293529 1000954374 /nfs/dbraw/zinc/95/43/74/1000954374.db2.gz XHVCJLBGMCSCMM-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(C)(C)C)C1 ZINC001402065407 1000987201 /nfs/dbraw/zinc/98/72/01/1000987201.db2.gz COASNRQBUNPOQC-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC(C)(C)C)C1 ZINC001402065407 1000987207 /nfs/dbraw/zinc/98/72/07/1000987207.db2.gz COASNRQBUNPOQC-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001402075569 1000996136 /nfs/dbraw/zinc/99/61/36/1000996136.db2.gz JVWYXDKPRQRMPY-UKRRQHHQSA-N 1 3 322.453 0.330 20 0 DCADHO COc1cccc(CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001419418046 1001034417 /nfs/dbraw/zinc/03/44/17/1001034417.db2.gz LDJARDPVQRXSCM-HDJSIYSDSA-N 1 3 306.410 0.779 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001419470168 1001078222 /nfs/dbraw/zinc/07/82/22/1001078222.db2.gz AHMCPBWRXZSPSU-JSGCOSHPSA-N 1 3 300.447 0.003 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402190989 1001098489 /nfs/dbraw/zinc/09/84/89/1001098489.db2.gz XMJMILMJRWEEMJ-INIZCTEOSA-N 1 3 321.425 0.305 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1)N(C)C ZINC001419522334 1001113722 /nfs/dbraw/zinc/11/37/22/1001113722.db2.gz SRPKZHRTSNEESK-HZSPNIEDSA-N 1 3 312.458 0.430 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001402314823 1001207850 /nfs/dbraw/zinc/20/78/50/1001207850.db2.gz OIKZPXCYNLVAKL-YPMHNXCESA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)N(C)C ZINC001402318776 1001212764 /nfs/dbraw/zinc/21/27/64/1001212764.db2.gz TUBDIKWLMJOTGY-JSGCOSHPSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419740633 1001269664 /nfs/dbraw/zinc/26/96/64/1001269664.db2.gz CGXQWPIBRMNBFP-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419740633 1001269672 /nfs/dbraw/zinc/26/96/72/1001269672.db2.gz CGXQWPIBRMNBFP-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001419746795 1001275019 /nfs/dbraw/zinc/27/50/19/1001275019.db2.gz NILJZNFWVPPSLM-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001402402751 1001282593 /nfs/dbraw/zinc/28/25/93/1001282593.db2.gz JOILCPGZVINXDE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001402402751 1001282596 /nfs/dbraw/zinc/28/25/96/1001282596.db2.gz JOILCPGZVINXDE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001402402731 1001282653 /nfs/dbraw/zinc/28/26/53/1001282653.db2.gz JOILCPGZVINXDE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001402402731 1001282655 /nfs/dbraw/zinc/28/26/55/1001282655.db2.gz JOILCPGZVINXDE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH2+]CC(=O)N1CCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402407022 1001283311 /nfs/dbraw/zinc/28/33/11/1001283311.db2.gz ZPFFTSQIAHIGEH-STQMWFEESA-N 1 3 319.409 0.011 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402414100 1001288052 /nfs/dbraw/zinc/28/80/52/1001288052.db2.gz ROMHPYFTLRUYNL-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001402436518 1001307576 /nfs/dbraw/zinc/30/75/76/1001307576.db2.gz MPBZZEIEMMZPHE-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001419803897 1001321911 /nfs/dbraw/zinc/32/19/11/1001321911.db2.gz IJXZRGMLZGMKHN-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C2CCCCC2)C1 ZINC001419803897 1001321918 /nfs/dbraw/zinc/32/19/18/1001321918.db2.gz IJXZRGMLZGMKHN-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@H](C)C(=O)N(C)C ZINC001419827662 1001339181 /nfs/dbraw/zinc/33/91/81/1001339181.db2.gz PSLCQMRXWMNTPC-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nc([C@@H](C)N[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001419902888 1001396244 /nfs/dbraw/zinc/39/62/44/1001396244.db2.gz PMENDAHBIXRIEM-GHMZBOCLSA-N 1 3 306.414 0.364 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NCC(=O)N(C)C ZINC001419938040 1001418282 /nfs/dbraw/zinc/41/82/82/1001418282.db2.gz NWTQYLQKHRDKNJ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](F)CNC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001402605015 1001436279 /nfs/dbraw/zinc/43/62/79/1001436279.db2.gz OAVBZLIHPFFJKA-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)NCC(N)=O ZINC001505727952 1016498947 /nfs/dbraw/zinc/49/89/47/1016498947.db2.gz JNOKXASCLPDEMY-NWDGAFQWSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001402932041 1001586856 /nfs/dbraw/zinc/58/68/56/1001586856.db2.gz MNCBJKSAMMJMNS-SSDMNJCBSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001403009484 1001630539 /nfs/dbraw/zinc/63/05/39/1001630539.db2.gz LZJAYQNNIGGOSC-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]C[C@H](O)CC(F)(F)F ZINC001403105386 1001675610 /nfs/dbraw/zinc/67/56/10/1001675610.db2.gz YKHLHVGKYAVIMM-PSASIEDQSA-N 1 3 322.331 0.668 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001403173233 1001706926 /nfs/dbraw/zinc/70/69/26/1001706926.db2.gz MAGKIFYVRLOUCW-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001419987861 1001747237 /nfs/dbraw/zinc/74/72/37/1001747237.db2.gz HBHOXMJHDFZXTR-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)C1 ZINC001403314323 1001804383 /nfs/dbraw/zinc/80/43/83/1001804383.db2.gz CTSCEQLIKQAXOI-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)C1 ZINC001403314323 1001804395 /nfs/dbraw/zinc/80/43/95/1001804395.db2.gz CTSCEQLIKQAXOI-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cncc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C2CCC2)c1 ZINC001420138597 1001928313 /nfs/dbraw/zinc/92/83/13/1001928313.db2.gz LNQYPQWULGIYQX-MRXNPFEDSA-N 1 3 320.437 0.441 20 0 DCADHO CN(CCn1cccn1)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001424721886 1001952785 /nfs/dbraw/zinc/95/27/85/1001952785.db2.gz XEBGXCDWQOASKL-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1cn(C)nn1 ZINC001403461379 1001987364 /nfs/dbraw/zinc/98/73/64/1001987364.db2.gz BTPUKELNEVQPGE-HUUCEWRRSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1cn(C)nn1 ZINC001403461373 1001988387 /nfs/dbraw/zinc/98/83/87/1001988387.db2.gz BTPUKELNEVQPGE-CABCVRRESA-N 1 3 322.457 0.530 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001403583169 1002171403 /nfs/dbraw/zinc/17/14/03/1002171403.db2.gz MTBIIVNIEYZGRQ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001403597575 1002188839 /nfs/dbraw/zinc/18/88/39/1002188839.db2.gz MZNGENJTWMOHCB-RDBSUJKOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001403597575 1002188846 /nfs/dbraw/zinc/18/88/46/1002188846.db2.gz MZNGENJTWMOHCB-RDBSUJKOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001403619586 1002221241 /nfs/dbraw/zinc/22/12/41/1002221241.db2.gz CXRUSJHCAIFFBF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNCC(=O)N[C@H](C)C1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001420338525 1002245859 /nfs/dbraw/zinc/24/58/59/1002245859.db2.gz JXCGBRDJCMNLEI-CHWSQXEVSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001425022469 1002259204 /nfs/dbraw/zinc/25/92/04/1002259204.db2.gz GYSXQHQXXYJKQI-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001425022469 1002259214 /nfs/dbraw/zinc/25/92/14/1002259214.db2.gz GYSXQHQXXYJKQI-HIFRSBDPSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001420513679 1002532982 /nfs/dbraw/zinc/53/29/82/1002532982.db2.gz ABAIHCLBKCKEND-GOEBONIOSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001403801146 1002545636 /nfs/dbraw/zinc/54/56/36/1002545636.db2.gz GLDAHORSYJYBNC-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001403804583 1002548730 /nfs/dbraw/zinc/54/87/30/1002548730.db2.gz HMOMSGVKKXKVCD-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001403804583 1002548736 /nfs/dbraw/zinc/54/87/36/1002548736.db2.gz HMOMSGVKKXKVCD-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001420578171 1002644777 /nfs/dbraw/zinc/64/47/77/1002644777.db2.gz CESBXYRUNJTGSF-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001420578171 1002644780 /nfs/dbraw/zinc/64/47/80/1002644780.db2.gz CESBXYRUNJTGSF-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001403977489 1002836631 /nfs/dbraw/zinc/83/66/31/1002836631.db2.gz NLEHWPBJXIVJLW-CHWSQXEVSA-N 1 3 314.474 0.582 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001420718500 1002849247 /nfs/dbraw/zinc/84/92/47/1002849247.db2.gz UBNFLTMFYYUXRY-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1=O ZINC001420718500 1002849256 /nfs/dbraw/zinc/84/92/56/1002849256.db2.gz UBNFLTMFYYUXRY-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001420739456 1002899242 /nfs/dbraw/zinc/89/92/42/1002899242.db2.gz GCLNLEHICICCIM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001420739456 1002899251 /nfs/dbraw/zinc/89/92/51/1002899251.db2.gz GCLNLEHICICCIM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001425655610 1002932880 /nfs/dbraw/zinc/93/28/80/1002932880.db2.gz LEUXMWBILTXBTJ-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001425672291 1002946734 /nfs/dbraw/zinc/94/67/34/1002946734.db2.gz CCLIKRSKDWXJTL-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001425694926 1002967010 /nfs/dbraw/zinc/96/70/10/1002967010.db2.gz LJVAHXDJMOQTFJ-CYBMUJFWSA-N 1 3 300.447 0.288 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001420897539 1003105468 /nfs/dbraw/zinc/10/54/68/1003105468.db2.gz UXXSBPXOXCWWJV-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001420897539 1003105475 /nfs/dbraw/zinc/10/54/75/1003105475.db2.gz UXXSBPXOXCWWJV-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](F)CC[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001425800165 1003125364 /nfs/dbraw/zinc/12/53/64/1003125364.db2.gz VVSZNXWJIRMKJB-OLZOCXBDSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001405885459 1003171280 /nfs/dbraw/zinc/17/12/80/1003171280.db2.gz FMNNWKFINHZJHM-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H]2CCCN(C)C2=O)CC1)[NH+](C)C ZINC001420993020 1003212366 /nfs/dbraw/zinc/21/23/66/1003212366.db2.gz GDDFVCQZSQPMQL-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C[C@@H]1C ZINC001425887752 1003223914 /nfs/dbraw/zinc/22/39/14/1003223914.db2.gz KTTJIHQVPMNNSM-KBPBESRZSA-N 1 3 307.442 0.839 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C[C@H]1C ZINC001425887755 1003224668 /nfs/dbraw/zinc/22/46/68/1003224668.db2.gz KTTJIHQVPMNNSM-KGLIPLIRSA-N 1 3 307.442 0.839 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001421037116 1003256770 /nfs/dbraw/zinc/25/67/70/1003256770.db2.gz HOXSHXWUCVHIEZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001406004433 1003256863 /nfs/dbraw/zinc/25/68/63/1003256863.db2.gz SXICXFYMEXZQKV-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001425948404 1003276239 /nfs/dbraw/zinc/27/62/39/1003276239.db2.gz GFXKMCUJSRLRGM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001406035215 1003287638 /nfs/dbraw/zinc/28/76/38/1003287638.db2.gz CZAZXHOKIRWYMQ-QWHCGFSZSA-N 1 3 314.474 0.569 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001421127479 1003359772 /nfs/dbraw/zinc/35/97/72/1003359772.db2.gz QBAQGUVLZCKINH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001421232608 1003469278 /nfs/dbraw/zinc/46/92/78/1003469278.db2.gz OWKDIRUKOZJXSH-DOTOQJQBSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C)C(N)=O ZINC001426158320 1003474441 /nfs/dbraw/zinc/47/44/41/1003474441.db2.gz ZLFGQQNXDAMJDC-DGCLKSJQSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001421325931 1003546637 /nfs/dbraw/zinc/54/66/37/1003546637.db2.gz DSQQJNXNJQMREC-KBPBESRZSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@H](F)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001421325931 1003546642 /nfs/dbraw/zinc/54/66/42/1003546642.db2.gz DSQQJNXNJQMREC-KBPBESRZSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001406325686 1003606166 /nfs/dbraw/zinc/60/61/66/1003606166.db2.gz LAITZEJZMNJKBD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001426162860 1003628784 /nfs/dbraw/zinc/62/87/84/1003628784.db2.gz KNLMOHULLAVJFZ-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001406362792 1003640252 /nfs/dbraw/zinc/64/02/52/1003640252.db2.gz AEKHNZZROJYUNG-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001406362792 1003640254 /nfs/dbraw/zinc/64/02/54/1003640254.db2.gz AEKHNZZROJYUNG-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001426201310 1003651328 /nfs/dbraw/zinc/65/13/28/1003651328.db2.gz PTPSHIMYAXNBPS-RYUDHWBXSA-N 1 3 308.426 0.858 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN[C@H]2CCNC2=O)CC1 ZINC001406422540 1003705669 /nfs/dbraw/zinc/70/56/69/1003705669.db2.gz SGSVOJMNVOFTNG-OCCSQVGLSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NC1CC(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001426341168 1003723543 /nfs/dbraw/zinc/72/35/43/1003723543.db2.gz HKSDCOTUPFRQCE-JXQTWKCFSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001428206343 1003765520 /nfs/dbraw/zinc/76/55/20/1003765520.db2.gz INVSAHYMUMOJRK-SHTZXODSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001492952642 1003775083 /nfs/dbraw/zinc/77/50/83/1003775083.db2.gz KCNQNEUABHZBOE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001492952642 1003775087 /nfs/dbraw/zinc/77/50/87/1003775087.db2.gz KCNQNEUABHZBOE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001406561506 1003846319 /nfs/dbraw/zinc/84/63/19/1003846319.db2.gz ODJBOHPRQLVANO-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001428668011 1004102259 /nfs/dbraw/zinc/10/22/59/1004102259.db2.gz KODZOXMIBPMYBT-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001428668011 1004102264 /nfs/dbraw/zinc/10/22/64/1004102264.db2.gz KODZOXMIBPMYBT-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001427065538 1004190956 /nfs/dbraw/zinc/19/09/56/1004190956.db2.gz FXLSZODIWKQPCG-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001427068001 1004193306 /nfs/dbraw/zinc/19/33/06/1004193306.db2.gz MJTLDFSMALVCHH-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C ZINC001406971187 1004274694 /nfs/dbraw/zinc/27/46/94/1004274694.db2.gz ACQPDDAEMQBTKF-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001407047064 1004331949 /nfs/dbraw/zinc/33/19/49/1004331949.db2.gz CUJSRBTVLBJWDC-UHFFFAOYSA-N 1 3 321.425 0.355 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001407047064 1004331955 /nfs/dbraw/zinc/33/19/55/1004331955.db2.gz CUJSRBTVLBJWDC-UHFFFAOYSA-N 1 3 321.425 0.355 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001427375829 1004351498 /nfs/dbraw/zinc/35/14/98/1004351498.db2.gz IDBQFPHXSJIYOY-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C[C@@H]1C ZINC001407078258 1004357673 /nfs/dbraw/zinc/35/76/73/1004357673.db2.gz AZFGRXMNROXIID-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001429385430 1004566121 /nfs/dbraw/zinc/56/61/21/1004566121.db2.gz KFDVRWMMLYVSJT-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](C/C=C\Cl)C1 ZINC001407367203 1004597017 /nfs/dbraw/zinc/59/70/17/1004597017.db2.gz CVYIFCREUURLDT-CUCMZFDFSA-N 1 3 315.845 0.776 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C/C=C\Cl)C1 ZINC001407367203 1004597022 /nfs/dbraw/zinc/59/70/22/1004597022.db2.gz CVYIFCREUURLDT-CUCMZFDFSA-N 1 3 315.845 0.776 20 0 DCADHO Cn1nccc1CN1C[C@@H]2C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001407469532 1004671632 /nfs/dbraw/zinc/67/16/32/1004671632.db2.gz FGALVZIIXFKWAA-LZWOXQAQSA-N 1 3 319.453 0.841 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001407622976 1004769439 /nfs/dbraw/zinc/76/94/39/1004769439.db2.gz DVWNEUHCYATPQC-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001407622976 1004769445 /nfs/dbraw/zinc/76/94/45/1004769445.db2.gz DVWNEUHCYATPQC-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001407737118 1004826834 /nfs/dbraw/zinc/82/68/34/1004826834.db2.gz KLDMOFNZNFPHDD-GASCZTMLSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001408082485 1005027506 /nfs/dbraw/zinc/02/75/06/1005027506.db2.gz LBJNIWFHJYWFAO-ZBFHGGJFSA-N 1 3 321.469 0.739 20 0 DCADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCC(=O)N(C)C ZINC001408088262 1005031480 /nfs/dbraw/zinc/03/14/80/1005031480.db2.gz DGEBOTGWQAAITB-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001408098184 1005040224 /nfs/dbraw/zinc/04/02/24/1005040224.db2.gz CMSDRIYOEPPKPL-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001408303624 1005150524 /nfs/dbraw/zinc/15/05/24/1005150524.db2.gz LAAJNDOFOAXHHQ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001415168963 1005474657 /nfs/dbraw/zinc/47/46/57/1005474657.db2.gz MGDXJSMSUUGZQI-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001415168963 1005474658 /nfs/dbraw/zinc/47/46/58/1005474658.db2.gz MGDXJSMSUUGZQI-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001415312327 1005500369 /nfs/dbraw/zinc/50/03/69/1005500369.db2.gz GBHCSZIXTNMSFK-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001415312327 1005500372 /nfs/dbraw/zinc/50/03/72/1005500372.db2.gz GBHCSZIXTNMSFK-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001415500625 1005547525 /nfs/dbraw/zinc/54/75/25/1005547525.db2.gz IEKASBSLZUPNRB-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001415500625 1005547526 /nfs/dbraw/zinc/54/75/26/1005547526.db2.gz IEKASBSLZUPNRB-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001415506546 1005549634 /nfs/dbraw/zinc/54/96/34/1005549634.db2.gz VAESHIXFGOWBPW-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001416921502 1005760276 /nfs/dbraw/zinc/76/02/76/1005760276.db2.gz WVNVSBOWZDOYHS-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001416921502 1005760277 /nfs/dbraw/zinc/76/02/77/1005760277.db2.gz WVNVSBOWZDOYHS-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](O)C3CCC3)CC2)CC1 ZINC001417625740 1005854453 /nfs/dbraw/zinc/85/44/53/1005854453.db2.gz LWBVMKLSRCMWIA-MRXNPFEDSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001417815886 1005896147 /nfs/dbraw/zinc/89/61/47/1005896147.db2.gz UMFQLMSVKXKLKY-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001417896390 1005918050 /nfs/dbraw/zinc/91/80/50/1005918050.db2.gz PPFBLBBEEUQBJK-CQSZACIVSA-N 1 3 303.422 0.581 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CSC3)CC2)CC1 ZINC001434769405 1005963991 /nfs/dbraw/zinc/96/39/91/1005963991.db2.gz UXJZXGJEJOBLFM-UHFFFAOYSA-N 1 3 312.483 0.960 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001418061070 1005992735 /nfs/dbraw/zinc/99/27/35/1005992735.db2.gz AHPZMCHUFSSPAD-DZKIICNBSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001418140192 1006098408 /nfs/dbraw/zinc/09/84/08/1006098408.db2.gz AZDLHNMKJNWYEV-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001436361766 1006144607 /nfs/dbraw/zinc/14/46/07/1006144607.db2.gz XUYAIUQKRPEMGQ-SOUVJXGZSA-N 1 3 324.469 0.337 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C(C)C)C2)C1=O ZINC001436368880 1006146522 /nfs/dbraw/zinc/14/65/22/1006146522.db2.gz RFNMRUSOXOLFLJ-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001436393999 1006160783 /nfs/dbraw/zinc/16/07/83/1006160783.db2.gz BLURYMPUIMGGDK-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001436395156 1006161586 /nfs/dbraw/zinc/16/15/86/1006161586.db2.gz FTEKNKZOIZELDQ-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)n1 ZINC001418233756 1006217225 /nfs/dbraw/zinc/21/72/25/1006217225.db2.gz KBBPQHVGHLNSCH-GFCCVEGCSA-N 1 3 322.457 0.474 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N1CCCC1 ZINC001418244598 1006240637 /nfs/dbraw/zinc/24/06/37/1006240637.db2.gz YWEPZLBKWKNUMW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N1CCCC1 ZINC001418244598 1006240646 /nfs/dbraw/zinc/24/06/46/1006240646.db2.gz YWEPZLBKWKNUMW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N[C@@H]1CCNC1=O ZINC001418262223 1006265246 /nfs/dbraw/zinc/26/52/46/1006265246.db2.gz JWBXDTRXZRKFHQ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001436763045 1006329157 /nfs/dbraw/zinc/32/91/57/1006329157.db2.gz RDFUJRUCYRUURA-KGLIPLIRSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@H](F)CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001439005563 1006345291 /nfs/dbraw/zinc/34/52/91/1006345291.db2.gz XVLAFHGJEZGWNJ-STQMWFEESA-N 1 3 301.406 0.430 20 0 DCADHO C[C@@H]([NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1)C(=O)N(C)C ZINC001436788958 1006365654 /nfs/dbraw/zinc/36/56/54/1006365654.db2.gz LDVCQLIQUXDBLE-IUODEOHRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418329707 1006387830 /nfs/dbraw/zinc/38/78/30/1006387830.db2.gz QMBGVKHMZXAPBD-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CN1CCC(C)CC1 ZINC001439086384 1006457129 /nfs/dbraw/zinc/45/71/29/1006457129.db2.gz XPCAIIZREXOMTM-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001436949418 1006475990 /nfs/dbraw/zinc/47/59/90/1006475990.db2.gz AOKUZVAPOPFXEM-MJBXVCDLSA-N 1 3 324.469 0.752 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001437049800 1006552652 /nfs/dbraw/zinc/55/26/52/1006552652.db2.gz MQRNUWVYMJNKOI-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)CC1CC[NH+](C)CC1 ZINC001439256086 1006628832 /nfs/dbraw/zinc/62/88/32/1006628832.db2.gz FUYQXLHUROHDDI-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001439274398 1006646845 /nfs/dbraw/zinc/64/68/45/1006646845.db2.gz LZIRIKBVCFJKFU-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccnn2C)C2CC2)CCC1 ZINC001439452152 1006868765 /nfs/dbraw/zinc/86/87/65/1006868765.db2.gz CPRHDONDIUMMIM-HNNXBMFYSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001439482089 1006911540 /nfs/dbraw/zinc/91/15/40/1006911540.db2.gz DGTUPZHZQHTJDK-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439482089 1006911549 /nfs/dbraw/zinc/91/15/49/1006911549.db2.gz DGTUPZHZQHTJDK-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)C[C@H]1CCc2ncnn21 ZINC001437501962 1007059586 /nfs/dbraw/zinc/05/95/86/1007059586.db2.gz BUMOXQPWPCQQAP-CYBMUJFWSA-N 1 3 320.441 0.155 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1)[NH+](C)C ZINC001439618020 1007077425 /nfs/dbraw/zinc/07/74/25/1007077425.db2.gz HNNPGQJBPUCSKG-OLZOCXBDSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001452969755 1007177861 /nfs/dbraw/zinc/17/78/61/1007177861.db2.gz HKSDCOTUPFRQCE-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001439780106 1007190774 /nfs/dbraw/zinc/19/07/74/1007190774.db2.gz ZELCTUFUTCQLDV-OLZOCXBDSA-N 1 3 321.425 0.448 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001439786315 1007196505 /nfs/dbraw/zinc/19/65/05/1007196505.db2.gz ZGCCDHAMEVPFGL-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CC2CCC2)C1)C1CCC1 ZINC001439993288 1007392423 /nfs/dbraw/zinc/39/24/23/1007392423.db2.gz WXTCIPQNKHYAMW-KRWDZBQOSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CCC2)C1)C1CCC1 ZINC001439993288 1007392434 /nfs/dbraw/zinc/39/24/34/1007392434.db2.gz WXTCIPQNKHYAMW-KRWDZBQOSA-N 1 3 309.454 0.824 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1)C(N)=O ZINC001437840542 1007452142 /nfs/dbraw/zinc/45/21/42/1007452142.db2.gz FUNQUCULVKYTPU-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001437921711 1007501749 /nfs/dbraw/zinc/50/17/49/1007501749.db2.gz GVPWXLPFYWLSFA-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001437921711 1007501762 /nfs/dbraw/zinc/50/17/62/1007501762.db2.gz GVPWXLPFYWLSFA-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCN1CCC([NH2+]C(C)C)CC1 ZINC001440158895 1007529170 /nfs/dbraw/zinc/52/91/70/1007529170.db2.gz PUQSYTNWNVQOHD-UHFFFAOYSA-N 1 3 307.442 0.839 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001437956122 1007532252 /nfs/dbraw/zinc/53/22/52/1007532252.db2.gz DZLLXCTXOIVXBO-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001437956122 1007532255 /nfs/dbraw/zinc/53/22/55/1007532255.db2.gz DZLLXCTXOIVXBO-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001440350671 1007689916 /nfs/dbraw/zinc/68/99/16/1007689916.db2.gz RAHAVXCPNIKORJ-JOCQHMNTSA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@H](F)CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001440367021 1007701210 /nfs/dbraw/zinc/70/12/10/1007701210.db2.gz BWRFEKQCEYQYSV-GJZGRUSLSA-N 1 3 315.433 0.893 20 0 DCADHO Cn1cc(CNC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCO2)cn1 ZINC001440370522 1007703424 /nfs/dbraw/zinc/70/34/24/1007703424.db2.gz GGFZBJXBCZRNPZ-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO C[C@@H]([NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001438433840 1007906362 /nfs/dbraw/zinc/90/63/62/1007906362.db2.gz LAUBFPFDEGYERG-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC)CC1 ZINC001438437342 1007907077 /nfs/dbraw/zinc/90/70/77/1007907077.db2.gz AGBCKHDJHITEEN-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NCC(=O)NC1CC1 ZINC001440841754 1008059730 /nfs/dbraw/zinc/05/97/30/1008059730.db2.gz PUNYAWMZWUUGMH-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO CCNC(=O)CN[C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001441239806 1008285818 /nfs/dbraw/zinc/28/58/18/1008285818.db2.gz RSIGKDWOXFLERY-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001441381635 1008340361 /nfs/dbraw/zinc/34/03/61/1008340361.db2.gz CLRZJDTVDUXIJM-HDJSIYSDSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCCN(C)C1=O ZINC001441596193 1008417325 /nfs/dbraw/zinc/41/73/25/1008417325.db2.gz NPQYKGXCPQNQRS-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001441652372 1008441150 /nfs/dbraw/zinc/44/11/50/1008441150.db2.gz OKSXGFGKIKFTDY-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001441652372 1008441152 /nfs/dbraw/zinc/44/11/52/1008441152.db2.gz OKSXGFGKIKFTDY-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CC(F)(F)C2)C1 ZINC001441757878 1008489920 /nfs/dbraw/zinc/48/99/20/1008489920.db2.gz RVWNNEIJUBWPLG-DGCLKSJQSA-N 1 3 319.396 0.440 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441823490 1008520965 /nfs/dbraw/zinc/52/09/65/1008520965.db2.gz MXHSIRRUDZQLHQ-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1n[nH]c(C)n1 ZINC001421422444 1008564118 /nfs/dbraw/zinc/56/41/18/1008564118.db2.gz OVQYJUHGYZNATR-UONOGXRCSA-N 1 3 320.441 0.439 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O)N(C)C ZINC001421541629 1008703276 /nfs/dbraw/zinc/70/32/76/1008703276.db2.gz VSCCYRXCCNMCGC-CRWXNKLISA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O)N(C)C ZINC001421541629 1008703287 /nfs/dbraw/zinc/70/32/87/1008703287.db2.gz VSCCYRXCCNMCGC-CRWXNKLISA-N 1 3 310.442 0.171 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001442006617 1008797101 /nfs/dbraw/zinc/79/71/01/1008797101.db2.gz HJSFSWRJEIKUOX-LBPRGKRZSA-N 1 3 303.410 0.475 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCn2cccn2)CCC1)C1CCC1 ZINC001421750153 1009032679 /nfs/dbraw/zinc/03/26/79/1009032679.db2.gz CZRKQEMZHNWQDX-UHFFFAOYSA-N 1 3 319.453 0.996 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(NCC(=O)N(C)C)CCC2)CC[N@@H+]1C ZINC001421779244 1009074158 /nfs/dbraw/zinc/07/41/58/1009074158.db2.gz WSUTWSAMFSLWJJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCC2(NCC(=O)N(C)C)CCC2)CC[N@H+]1C ZINC001421779244 1009074173 /nfs/dbraw/zinc/07/41/73/1009074173.db2.gz WSUTWSAMFSLWJJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001454622854 1009232690 /nfs/dbraw/zinc/23/26/90/1009232690.db2.gz LFMPGLRMDWJGIE-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001454622854 1009232701 /nfs/dbraw/zinc/23/27/01/1009232701.db2.gz LFMPGLRMDWJGIE-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421920800 1009265276 /nfs/dbraw/zinc/26/52/76/1009265276.db2.gz FKACPFLZXLWJKP-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001421948818 1009299001 /nfs/dbraw/zinc/29/90/01/1009299001.db2.gz XQPFHALRJGRJDM-CHWSQXEVSA-N 1 3 314.474 0.665 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001421985579 1009360810 /nfs/dbraw/zinc/36/08/10/1009360810.db2.gz HSNWKEVMVQSDTB-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001421991466 1009371575 /nfs/dbraw/zinc/37/15/75/1009371575.db2.gz MMELWWFRADNPSL-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)CC)[C@@H](C)C1 ZINC001422040690 1009426173 /nfs/dbraw/zinc/42/61/73/1009426173.db2.gz BIJBAMXIEACITH-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001422059882 1009445104 /nfs/dbraw/zinc/44/51/04/1009445104.db2.gz YPQAHVYUZWAOAP-UHFFFAOYSA-N 1 3 321.425 0.448 20 0 DCADHO CCN(CCNC(=O)CC[N@H+](C)CC)C(=O)[C@H]1CCCN1C ZINC001455682421 1009905151 /nfs/dbraw/zinc/90/51/51/1009905151.db2.gz JBZRCDRPXURWFT-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNC(=O)CC[N@@H+](C)CC)C(=O)[C@H]1CCCN1C ZINC001455682421 1009905167 /nfs/dbraw/zinc/90/51/67/1009905167.db2.gz JBZRCDRPXURWFT-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001422432731 1010074812 /nfs/dbraw/zinc/07/48/12/1010074812.db2.gz XPDOGQGQVRQBEQ-KBPBESRZSA-N 1 3 315.458 0.208 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCN(C(C)C)C1=O ZINC001443101583 1010140091 /nfs/dbraw/zinc/14/00/91/1010140091.db2.gz XNYMMJUCRIBFBB-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCN(C(C)C)C1=O ZINC001443101583 1010140101 /nfs/dbraw/zinc/14/01/01/1010140101.db2.gz XNYMMJUCRIBFBB-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)CN(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001443360706 1010366977 /nfs/dbraw/zinc/36/69/77/1010366977.db2.gz JZDIOYOACFBSDX-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO COc1cc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001422746539 1010561760 /nfs/dbraw/zinc/56/17/60/1010561760.db2.gz SHZNDPHTWUZJJX-GXTWGEPZSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001422746539 1010561772 /nfs/dbraw/zinc/56/17/72/1010561772.db2.gz SHZNDPHTWUZJJX-GXTWGEPZSA-N 1 3 306.410 0.636 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)C[C@H]1CCc2ncnn21 ZINC001422904575 1010724128 /nfs/dbraw/zinc/72/41/28/1010724128.db2.gz YQULQKNJOKHHGH-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)C[C@H]1CCc2ncnn21 ZINC001422904575 1010724131 /nfs/dbraw/zinc/72/41/31/1010724131.db2.gz YQULQKNJOKHHGH-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001443919966 1010749770 /nfs/dbraw/zinc/74/97/70/1010749770.db2.gz SCFJXXDVNAFFSZ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001443929665 1010755597 /nfs/dbraw/zinc/75/55/97/1010755597.db2.gz HMNBDYFSMSDEFY-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO Cc1nnc(CN[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)[nH]1 ZINC001422973921 1010778419 /nfs/dbraw/zinc/77/84/19/1010778419.db2.gz ZUFCRHXHCYIUIG-ZIAGYGMSSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nnc(CN[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)[nH]1 ZINC001422973921 1010778426 /nfs/dbraw/zinc/77/84/26/1010778426.db2.gz ZUFCRHXHCYIUIG-ZIAGYGMSSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNCC2(NC(=O)CCC[NH+](C)C)CCCC2)n[nH]1 ZINC001444080031 1010842993 /nfs/dbraw/zinc/84/29/93/1010842993.db2.gz OYAOIPVMMIHQQJ-UHFFFAOYSA-N 1 3 322.457 0.974 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001423115687 1010899771 /nfs/dbraw/zinc/89/97/71/1010899771.db2.gz DKXMZUNBLDTOBG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001423115687 1010899776 /nfs/dbraw/zinc/89/97/76/1010899776.db2.gz DKXMZUNBLDTOBG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001444194087 1010901783 /nfs/dbraw/zinc/90/17/83/1010901783.db2.gz VTDJVEFUGFOBGY-HDJSIYSDSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444254918 1010925859 /nfs/dbraw/zinc/92/58/59/1010925859.db2.gz KLWWTNVSVGWPRS-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444254918 1010925862 /nfs/dbraw/zinc/92/58/62/1010925862.db2.gz KLWWTNVSVGWPRS-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001444308605 1010954489 /nfs/dbraw/zinc/95/44/89/1010954489.db2.gz LGIYLBAWDGHJGG-BBRMVZONSA-N 1 3 319.453 0.604 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCCC(F)(F)F)CC[N@@H+]1C ZINC001423218052 1010988449 /nfs/dbraw/zinc/98/84/49/1010988449.db2.gz UKURWSAVXKILFB-OUAUKWLOSA-N 1 3 311.348 0.346 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NCCC(F)(F)F)CC[N@H+]1C ZINC001423218052 1010988452 /nfs/dbraw/zinc/98/84/52/1010988452.db2.gz UKURWSAVXKILFB-OUAUKWLOSA-N 1 3 311.348 0.346 20 0 DCADHO C[C@H](NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC001423250045 1011017094 /nfs/dbraw/zinc/01/70/94/1011017094.db2.gz BLKVUQKMCXKXTO-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC001423250043 1011017114 /nfs/dbraw/zinc/01/71/14/1011017114.db2.gz BLKVUQKMCXKXTO-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444695791 1011134600 /nfs/dbraw/zinc/13/46/00/1011134600.db2.gz ODSVNUPINIMVAT-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001423480560 1011178578 /nfs/dbraw/zinc/17/85/78/1011178578.db2.gz VHWNNYMZKOOFHG-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001444871828 1011193212 /nfs/dbraw/zinc/19/32/12/1011193212.db2.gz MWEUDLABZZWPLX-CABCVRRESA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(CCCN2CCCC2=O)C1 ZINC001423585671 1011314645 /nfs/dbraw/zinc/31/46/45/1011314645.db2.gz MZZINLWSLQIEAR-KRWDZBQOSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(NC[C@@H](O)CNCc1cncs1)C12CCC[NH+]1CCC2 ZINC001445195699 1011508753 /nfs/dbraw/zinc/50/87/53/1011508753.db2.gz FUSYBUMQTIHGRG-LBPRGKRZSA-N 1 3 324.450 0.338 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001431655436 1011509284 /nfs/dbraw/zinc/50/92/84/1011509284.db2.gz PHYFWRQOXFNNHU-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001431655436 1011509291 /nfs/dbraw/zinc/50/92/91/1011509291.db2.gz PHYFWRQOXFNNHU-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001445200416 1011512213 /nfs/dbraw/zinc/51/22/13/1011512213.db2.gz TUPVVRCRRRNBFT-AWEZNQCLSA-N 1 3 311.470 0.974 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001456929832 1011529401 /nfs/dbraw/zinc/52/94/01/1011529401.db2.gz IQIRCSIYJFULBM-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](F)CNC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001445239648 1011559906 /nfs/dbraw/zinc/55/99/06/1011559906.db2.gz OSANTDVVUVBMML-ZIAGYGMSSA-N 1 3 303.422 0.533 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CN(C)C(C)C ZINC001534859729 1011702830 /nfs/dbraw/zinc/70/28/30/1011702830.db2.gz CVPMOILYVRYIMY-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)CN(C)C(C)C ZINC001534859729 1011702840 /nfs/dbraw/zinc/70/28/40/1011702840.db2.gz CVPMOILYVRYIMY-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001423947111 1011762536 /nfs/dbraw/zinc/76/25/36/1011762536.db2.gz NAQXXHTXUJSWPA-NEPJUHHUSA-N 1 3 319.409 0.057 20 0 DCADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnc([C@@H]2CCCN2)nc1 ZINC001553351973 1011910043 /nfs/dbraw/zinc/91/00/43/1011910043.db2.gz LIGXJWYRCPPMND-PIGZVRMJSA-N 1 3 301.394 0.914 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001445596229 1011980051 /nfs/dbraw/zinc/98/00/51/1011980051.db2.gz DBCNPJIPQCRYJG-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001445596229 1011980058 /nfs/dbraw/zinc/98/00/58/1011980058.db2.gz DBCNPJIPQCRYJG-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001553449745 1011985153 /nfs/dbraw/zinc/98/51/53/1011985153.db2.gz NQPNYWOLXQFRJF-ZBFHGGJFSA-N 1 3 310.442 0.635 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)CC1(C)C ZINC001553479851 1012014205 /nfs/dbraw/zinc/01/42/05/1012014205.db2.gz MBGLTBXUMDSQFK-WMLDXEAASA-N 1 3 323.485 0.454 20 0 DCADHO C[N@@H+]1C[C@@]23CN(C(=O)NC[C@H]4CNCCO4)C[C@]2(C1)CCCC3 ZINC001553501500 1012042440 /nfs/dbraw/zinc/04/24/40/1012042440.db2.gz GTCLLSYJSCQEBA-OIISXLGYSA-N 1 3 322.453 0.492 20 0 DCADHO C[N@H+]1C[C@@]23CN(C(=O)NC[C@H]4CNCCO4)C[C@]2(C1)CCCC3 ZINC001553501500 1012042459 /nfs/dbraw/zinc/04/24/59/1012042459.db2.gz GTCLLSYJSCQEBA-OIISXLGYSA-N 1 3 322.453 0.492 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553508974 1012050182 /nfs/dbraw/zinc/05/01/82/1012050182.db2.gz VXGUCDFTZORDPJ-LXTVHRRPSA-N 1 3 310.442 0.225 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC[C@]12CC[NH2+]C2 ZINC001553510067 1012052243 /nfs/dbraw/zinc/05/22/43/1012052243.db2.gz POMHTJAMIBJPKE-DOTOQJQBSA-N 1 3 322.453 0.777 20 0 DCADHO CCC1([NH3+])CCN(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553531458 1012084090 /nfs/dbraw/zinc/08/40/90/1012084090.db2.gz SITIFASJWRSOCU-CABCVRRESA-N 1 3 324.469 0.841 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3CCCCN3C)C[C@@H]2[NH3+])c1 ZINC001553544718 1012093166 /nfs/dbraw/zinc/09/31/66/1012093166.db2.gz BWADSJISDAJYPD-MCIONIFRSA-N 1 3 320.441 0.341 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3CCCCN3C)C[C@H]2[NH3+])c1 ZINC001553544721 1012093606 /nfs/dbraw/zinc/09/36/06/1012093606.db2.gz BWADSJISDAJYPD-MGPQQGTHSA-N 1 3 320.441 0.341 20 0 DCADHO [NH3+]CCC1CC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553543536 1012095532 /nfs/dbraw/zinc/09/55/32/1012095532.db2.gz AKBVGSSDKILNRZ-CVSAEHQPSA-N 1 3 310.442 0.354 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001553549740 1012097349 /nfs/dbraw/zinc/09/73/49/1012097349.db2.gz KINAQZORQLNEKK-UONOGXRCSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001553549740 1012097366 /nfs/dbraw/zinc/09/73/66/1012097366.db2.gz KINAQZORQLNEKK-UONOGXRCSA-N 1 3 321.429 0.178 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553551018 1012099948 /nfs/dbraw/zinc/09/99/48/1012099948.db2.gz QLSSKEQAOCFPHR-JJXSEGSLSA-N 1 3 324.469 0.745 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001458459607 1012182869 /nfs/dbraw/zinc/18/28/69/1012182869.db2.gz BVGTYIRPKXHUKQ-NWANDNLSSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001536875008 1012258351 /nfs/dbraw/zinc/25/83/51/1012258351.db2.gz QETDGZVCXHDHHG-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001536875008 1012258367 /nfs/dbraw/zinc/25/83/67/1012258367.db2.gz QETDGZVCXHDHHG-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001458768199 1012358211 /nfs/dbraw/zinc/35/82/11/1012358211.db2.gz BXVPGPRKCHOIJU-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC001458768199 1012358224 /nfs/dbraw/zinc/35/82/24/1012358224.db2.gz BXVPGPRKCHOIJU-JSGCOSHPSA-N 1 3 319.409 0.011 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001445889582 1012397140 /nfs/dbraw/zinc/39/71/40/1012397140.db2.gz DOCOMVUKIPOTBE-DZGCQCFKSA-N 1 3 322.457 0.531 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001424472089 1012543331 /nfs/dbraw/zinc/54/33/31/1012543331.db2.gz OZFRDKACENJGGS-GOEBONIOSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](NC1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1)C(N)=O ZINC001446195790 1012663636 /nfs/dbraw/zinc/66/36/36/1012663636.db2.gz WDIXSYGNSKOKOS-ZDUSSCGKSA-N 1 3 322.453 0.365 20 0 DCADHO Cn1nccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC001461020430 1013005386 /nfs/dbraw/zinc/00/53/86/1013005386.db2.gz DAVYNPBSNIBYOB-UHFFFAOYSA-N 1 3 300.410 0.857 20 0 DCADHO OC[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)COC[C@@H]2CCCN21 ZINC001461834312 1013040207 /nfs/dbraw/zinc/04/02/07/1013040207.db2.gz YRFFWIPPOHMYDW-LUKYLMHMSA-N 1 3 309.454 0.429 20 0 DCADHO OC[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)COC[C@@H]2CCCN21 ZINC001461834312 1013040221 /nfs/dbraw/zinc/04/02/21/1013040221.db2.gz YRFFWIPPOHMYDW-LUKYLMHMSA-N 1 3 309.454 0.429 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001506295737 1017189906 /nfs/dbraw/zinc/18/99/06/1017189906.db2.gz MSLHQKPZNWQVLF-UHFFFAOYSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC001499263970 1017789813 /nfs/dbraw/zinc/78/98/13/1017789813.db2.gz POGJAVKPJDBNCE-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001499922981 1018136533 /nfs/dbraw/zinc/13/65/33/1018136533.db2.gz QSACZOKDVRDEOG-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCN(C(=O)CN2CCCC2)C2CC2)C1 ZINC001497445424 1018143078 /nfs/dbraw/zinc/14/30/78/1018143078.db2.gz XPJPKMQMABJQMJ-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCN(C(=O)CN2CCCC2)C2CC2)C1 ZINC001497445424 1018143080 /nfs/dbraw/zinc/14/30/80/1018143080.db2.gz XPJPKMQMABJQMJ-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)NC(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480060407 1018172043 /nfs/dbraw/zinc/17/20/43/1018172043.db2.gz PFMQPVZSPMMCSP-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480060407 1018172046 /nfs/dbraw/zinc/17/20/46/1018172046.db2.gz PFMQPVZSPMMCSP-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480078412 1018190127 /nfs/dbraw/zinc/19/01/27/1018190127.db2.gz LBJXDMOIVKKBKL-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480078412 1018190134 /nfs/dbraw/zinc/19/01/34/1018190134.db2.gz LBJXDMOIVKKBKL-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001494980433 1018203101 /nfs/dbraw/zinc/20/31/01/1018203101.db2.gz CYUSRTLFBLBUAU-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001494980433 1018203106 /nfs/dbraw/zinc/20/31/06/1018203106.db2.gz CYUSRTLFBLBUAU-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001480119639 1018223894 /nfs/dbraw/zinc/22/38/94/1018223894.db2.gz XLEAJJNXIYAGNT-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCCCC2)C1 ZINC001480119639 1018223907 /nfs/dbraw/zinc/22/39/07/1018223907.db2.gz XLEAJJNXIYAGNT-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCc3ccnn3C)C2)CCC1 ZINC001480207831 1018315735 /nfs/dbraw/zinc/31/57/35/1018315735.db2.gz IAMNWMTXWDUSNK-OKILXGFUSA-N 1 3 319.453 0.684 20 0 DCADHO C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497680680 1018329553 /nfs/dbraw/zinc/32/95/53/1018329553.db2.gz MZIYUJNUPZOQBT-FVXJHOQFSA-N 1 3 315.433 0.842 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001500229964 1018332252 /nfs/dbraw/zinc/33/22/52/1018332252.db2.gz JIUCLLUECONJAE-DGCLKSJQSA-N 1 3 321.425 0.081 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001500229964 1018332263 /nfs/dbraw/zinc/33/22/63/1018332263.db2.gz JIUCLLUECONJAE-DGCLKSJQSA-N 1 3 321.425 0.081 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480226581 1018339462 /nfs/dbraw/zinc/33/94/62/1018339462.db2.gz OTEBDCBDFJJGMX-KBXIAJHMSA-N 1 3 324.469 0.621 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC001480359719 1018462689 /nfs/dbraw/zinc/46/26/89/1018462689.db2.gz PPXHTTSRPLHBGM-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCCO)CCOCC2)CCC1 ZINC001500572424 1018496449 /nfs/dbraw/zinc/49/64/49/1018496449.db2.gz RADWPJQVEZRXLX-UHFFFAOYSA-N 1 3 313.442 0.108 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001480463579 1018562263 /nfs/dbraw/zinc/56/22/63/1018562263.db2.gz WVEGMNYWNKGRJE-DOMZBBRYSA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cncn2C)CC[N@H+]1C ZINC001498045286 1018609307 /nfs/dbraw/zinc/60/93/07/1018609307.db2.gz NRIMBAGDWANJQH-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2cncn2C)CC[N@@H+]1C ZINC001498045286 1018609304 /nfs/dbraw/zinc/60/93/04/1018609304.db2.gz NRIMBAGDWANJQH-AEGPPILISA-N 1 3 307.442 0.745 20 0 DCADHO CCCC[C@@H](N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001480575250 1018674481 /nfs/dbraw/zinc/67/44/81/1018674481.db2.gz RFGVZUABYYWLEW-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CCC[C@@H](C)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480576126 1018677069 /nfs/dbraw/zinc/67/70/69/1018677069.db2.gz YTWMSJPBEKJAJG-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001495755834 1018683049 /nfs/dbraw/zinc/68/30/49/1018683049.db2.gz XXQBLMAVYLIGDD-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC(N)=O)CCC1 ZINC001480827041 1018949010 /nfs/dbraw/zinc/94/90/10/1018949010.db2.gz XLFQERCUZYDFJD-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)C1(C(=O)NCCC[C@H]2CCC[N@H+]2CC(N)=O)CCC1 ZINC001480827041 1018949016 /nfs/dbraw/zinc/94/90/16/1018949016.db2.gz XLFQERCUZYDFJD-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001498324223 1018953261 /nfs/dbraw/zinc/95/32/61/1018953261.db2.gz BTZZRNZPNJDFBU-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001498324223 1018953271 /nfs/dbraw/zinc/95/32/71/1018953271.db2.gz BTZZRNZPNJDFBU-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)[C@H]1CCCN1C ZINC001496133134 1019098806 /nfs/dbraw/zinc/09/88/06/1019098806.db2.gz UUNCWSYCLGBAEB-DZGCQCFKSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@H](C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496169624 1019130396 /nfs/dbraw/zinc/13/03/96/1019130396.db2.gz LDLUPOJAFGREGY-OLZOCXBDSA-N 1 3 321.425 0.305 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001496229959 1019180091 /nfs/dbraw/zinc/18/00/91/1019180091.db2.gz NYTGSSIBUHTMMX-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001496230585 1019180664 /nfs/dbraw/zinc/18/06/64/1019180664.db2.gz ZEJBDIBMAOCJQH-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001496230585 1019180672 /nfs/dbraw/zinc/18/06/72/1019180672.db2.gz ZEJBDIBMAOCJQH-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1ccnn1C)C1CC1)C1CCC1 ZINC001498771653 1019414540 /nfs/dbraw/zinc/41/45/40/1019414540.db2.gz XFUSZAYIVDIIHB-INIZCTEOSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001498804127 1019438912 /nfs/dbraw/zinc/43/89/12/1019438912.db2.gz SRHVHHTZKMYTSL-DGCLKSJQSA-N 1 3 310.442 0.219 20 0 DCADHO CN1CC[C@@H](NC[C@@H](NC(=O)CCC[NH+](C)C)C2CC2)C1=O ZINC001498817906 1019447451 /nfs/dbraw/zinc/44/74/51/1019447451.db2.gz ZJVCBDYYGQVIQT-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CC[C@H](NC[C@H](NC(=O)CCC[NH+](C)C)C2CC2)C1=O ZINC001498817903 1019448103 /nfs/dbraw/zinc/44/81/03/1019448103.db2.gz ZJVCBDYYGQVIQT-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(N)=O ZINC001496631336 1019470283 /nfs/dbraw/zinc/47/02/83/1019470283.db2.gz RUSYWZBDNCAAPG-OAHLLOKOSA-N 1 3 324.469 0.324 20 0 DCADHO CN(CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001501864632 1019529246 /nfs/dbraw/zinc/52/92/46/1019529246.db2.gz JBRLVVPDIRYIJC-XGACYXMMSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001501864632 1019529261 /nfs/dbraw/zinc/52/92/61/1019529261.db2.gz JBRLVVPDIRYIJC-XGACYXMMSA-N 1 3 322.453 0.211 20 0 DCADHO COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001502057743 1019668100 /nfs/dbraw/zinc/66/81/00/1019668100.db2.gz FNXQFLJXGVVSLW-ZFWWWQNUSA-N 1 3 313.442 0.323 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cncc(F)c2)CC[N@@H+]1C ZINC001496978578 1019872232 /nfs/dbraw/zinc/87/22/32/1019872232.db2.gz GMDJZXRAZVCAJC-BYCMXARLSA-N 1 3 324.400 0.128 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cncc(F)c2)CC[N@H+]1C ZINC001496978578 1019872242 /nfs/dbraw/zinc/87/22/42/1019872242.db2.gz GMDJZXRAZVCAJC-BYCMXARLSA-N 1 3 324.400 0.128 20 0 DCADHO O=C(NC[C@@H](O)CNCc1cncs1)[C@H]1C[NH+]2CCC1CC2 ZINC001496987709 1019888430 /nfs/dbraw/zinc/88/84/30/1019888430.db2.gz XTIKEMHPBZPVCT-JSGCOSHPSA-N 1 3 324.450 0.052 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001494073378 1019961887 /nfs/dbraw/zinc/96/18/87/1019961887.db2.gz JBWCERJIUKUZLT-AWEZNQCLSA-N 1 3 322.453 0.047 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001494247128 1020097372 /nfs/dbraw/zinc/09/73/72/1020097372.db2.gz RLSXJFDHCUEIAC-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C(N)=O)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001660723284 1174043376 /nfs/dbraw/zinc/04/33/76/1174043376.db2.gz UZLMAEFVSLCZMS-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C(N)=O)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001660723284 1174043381 /nfs/dbraw/zinc/04/33/81/1174043381.db2.gz UZLMAEFVSLCZMS-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CO)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763617 546396524 /nfs/dbraw/zinc/39/65/24/546396524.db2.gz HIMCOIYQHVGHAK-KBPBESRZSA-N 1 3 302.463 0.671 20 0 DCADHO CC[C@@H](CO)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763617 546396525 /nfs/dbraw/zinc/39/65/25/546396525.db2.gz HIMCOIYQHVGHAK-KBPBESRZSA-N 1 3 302.463 0.671 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000364154376 282183767 /nfs/dbraw/zinc/18/37/67/282183767.db2.gz FLJHZSKCFDXFFY-RBSFLKMASA-N 1 3 310.442 0.585 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332137564 290687731 /nfs/dbraw/zinc/68/77/31/290687731.db2.gz DHTXVYQASOUIFX-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(CO)CCC3)CC2)CC1 ZINC000185813103 530049710 /nfs/dbraw/zinc/04/97/10/530049710.db2.gz UNOVAKFSJNWBKA-UHFFFAOYSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000332129200 234538946 /nfs/dbraw/zinc/53/89/46/234538946.db2.gz HULAERCZQRVISG-JKIFEVAISA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCN(CCCNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236878029 202047473 /nfs/dbraw/zinc/04/74/73/202047473.db2.gz YJMJHMQPPYQAAN-CQSZACIVSA-N 1 3 314.499 0.225 20 0 DCADHO CC[NH+]1CCN(CCCNC(=O)[C@H](N)c2ccccc2)CC1 ZINC000236878406 202047683 /nfs/dbraw/zinc/04/76/83/202047683.db2.gz NCRAKMXJWBVUOC-MRXNPFEDSA-N 1 3 304.438 0.830 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000236881315 202049658 /nfs/dbraw/zinc/04/96/58/202049658.db2.gz RYWSTBADBRMMKL-CVEARBPZSA-N 1 3 310.486 0.766 20 0 DCADHO COCCN1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000178725957 198917583 /nfs/dbraw/zinc/91/75/83/198917583.db2.gz LQUITRAKACGNDM-MRXNPFEDSA-N 1 3 305.422 0.956 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000167215079 237124488 /nfs/dbraw/zinc/12/44/88/237124488.db2.gz IVXJMZHILQAXME-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](CCCC1CCN([C@H](C)C(N)=O)CC1)[C@@H](C)C(N)=O ZINC000154667636 291214996 /nfs/dbraw/zinc/21/49/96/291214996.db2.gz NGRYVHAQAIJHNZ-QWHCGFSZSA-N 1 3 312.458 0.548 20 0 DCADHO CC[N@@H+](CCCC1CCN([C@H](C)C(N)=O)CC1)[C@@H](C)C(N)=O ZINC000154667636 291214999 /nfs/dbraw/zinc/21/49/99/291214999.db2.gz NGRYVHAQAIJHNZ-QWHCGFSZSA-N 1 3 312.458 0.548 20 0 DCADHO C[C@@H]1C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC000566055787 291265537 /nfs/dbraw/zinc/26/55/37/291265537.db2.gz QXHMFKNSKGGYSI-RBSFLKMASA-N 1 3 314.474 0.935 20 0 DCADHO c1cc(N2CC[NH2+]CC2)cnc1N[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000566087882 291268130 /nfs/dbraw/zinc/26/81/30/291268130.db2.gz AIAHJCDQLDNDFA-RDJZCZTQSA-N 1 3 317.437 0.670 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000566689004 291318972 /nfs/dbraw/zinc/31/89/72/291318972.db2.gz HXYHGTFMJOBPGI-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)[C@H](CNC(=O)CN(C)C1CC([NH3+])C1)c1ccccc1 ZINC000420328583 240023210 /nfs/dbraw/zinc/02/32/10/240023210.db2.gz HQWCVGHTVAMOTP-UYSNPLJNSA-N 1 3 304.438 0.827 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000420428397 240026938 /nfs/dbraw/zinc/02/69/38/240026938.db2.gz YLYJHRZYHREPPZ-UHFFFAOYSA-N 1 3 317.459 0.077 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422459008 240156167 /nfs/dbraw/zinc/15/61/67/240156167.db2.gz XHXVJOBBKGEXBF-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422459008 240156173 /nfs/dbraw/zinc/15/61/73/240156173.db2.gz XHXVJOBBKGEXBF-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000423555003 240206208 /nfs/dbraw/zinc/20/62/08/240206208.db2.gz FVGGWZRSLVIMQO-OAHLLOKOSA-N 1 3 318.421 0.897 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000423580416 240216649 /nfs/dbraw/zinc/21/66/49/240216649.db2.gz RPKUDRANHZRVPX-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000092043550 193146188 /nfs/dbraw/zinc/14/61/88/193146188.db2.gz ZKYBZNLWISCEQT-TZMCWYRMSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000092043550 193146190 /nfs/dbraw/zinc/14/61/90/193146190.db2.gz ZKYBZNLWISCEQT-TZMCWYRMSA-N 1 3 306.410 0.000 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000567695899 291370575 /nfs/dbraw/zinc/37/05/75/291370575.db2.gz IEQYXNFRXUSCGY-FQRYHQRQSA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000567695899 291370577 /nfs/dbraw/zinc/37/05/77/291370577.db2.gz IEQYXNFRXUSCGY-FQRYHQRQSA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000567695899 291370578 /nfs/dbraw/zinc/37/05/78/291370578.db2.gz IEQYXNFRXUSCGY-FQRYHQRQSA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000567867383 291385861 /nfs/dbraw/zinc/38/58/61/291385861.db2.gz NVZHQHZODZGDFF-VXGBXAGGSA-N 1 3 306.410 0.929 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000567976462 291394968 /nfs/dbraw/zinc/39/49/68/291394968.db2.gz OIDUUGRFPKAELW-CQSZACIVSA-N 1 3 307.442 0.397 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000567983067 291395439 /nfs/dbraw/zinc/39/54/39/291395439.db2.gz KPLMFSDJLZAJML-CALCHBBNSA-N 1 3 316.449 0.788 20 0 DCADHO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)NCCN(C)C ZINC000572065903 291547432 /nfs/dbraw/zinc/54/74/32/291547432.db2.gz AQGMJFKQXCYWBQ-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000574143006 291675793 /nfs/dbraw/zinc/67/57/93/291675793.db2.gz WLCLLFLZDXKNFF-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C[C@H]1C ZINC000339634065 253118722 /nfs/dbraw/zinc/11/87/22/253118722.db2.gz LCLRFXJRIYRZLV-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C)CC2)C[C@H]1C ZINC000339634065 253118724 /nfs/dbraw/zinc/11/87/24/253118724.db2.gz LCLRFXJRIYRZLV-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000340252139 253224435 /nfs/dbraw/zinc/22/44/35/253224435.db2.gz GKBSOTPRFFHUQM-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000340252139 253224437 /nfs/dbraw/zinc/22/44/37/253224437.db2.gz GKBSOTPRFFHUQM-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340487627 253264806 /nfs/dbraw/zinc/26/48/06/253264806.db2.gz VGPACJPNNVLGDE-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340487627 253264809 /nfs/dbraw/zinc/26/48/09/253264809.db2.gz VGPACJPNNVLGDE-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000340485889 253265303 /nfs/dbraw/zinc/26/53/03/253265303.db2.gz RNALJMXBYQGJJH-HIFRSBDPSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000340485889 253265305 /nfs/dbraw/zinc/26/53/05/253265305.db2.gz RNALJMXBYQGJJH-HIFRSBDPSA-N 1 3 322.453 0.330 20 0 DCADHO CCOC[C@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342335325 253482858 /nfs/dbraw/zinc/48/28/58/253482858.db2.gz USVJIYYCSMWJAO-OAHLLOKOSA-N 1 3 300.443 0.961 20 0 DCADHO CC(CC(=O)N[C@@H](C)CN(C)C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346165022 254017590 /nfs/dbraw/zinc/01/75/90/254017590.db2.gz DKCJLRDYZDYHDN-KBPBESRZSA-N 1 3 314.474 0.535 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000346989581 254119845 /nfs/dbraw/zinc/11/98/45/254119845.db2.gz NZMFQRVKHAYNND-OAHLLOKOSA-N 1 3 312.458 0.879 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347038434 254124597 /nfs/dbraw/zinc/12/45/97/254124597.db2.gz YKRLVUKGNWFIOL-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347038434 254124598 /nfs/dbraw/zinc/12/45/98/254124598.db2.gz YKRLVUKGNWFIOL-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347976236 254207974 /nfs/dbraw/zinc/20/79/74/254207974.db2.gz YUHMJNQEZWVHSI-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347976236 254207976 /nfs/dbraw/zinc/20/79/76/254207976.db2.gz YUHMJNQEZWVHSI-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[N@@H+]1C ZINC000347961562 254205318 /nfs/dbraw/zinc/20/53/18/254205318.db2.gz IHWYDDXNKLGHGS-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[N@H+]1C ZINC000347961562 254205320 /nfs/dbraw/zinc/20/53/20/254205320.db2.gz IHWYDDXNKLGHGS-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C ZINC000348020026 254213521 /nfs/dbraw/zinc/21/35/21/254213521.db2.gz QJKIKDAPUPSBPE-KBUPBQIOSA-N 1 3 324.469 0.574 20 0 DCADHO C[NH+](C)CCOCCNCc1cnc(N2CCOCC2)s1 ZINC000349208922 254277479 /nfs/dbraw/zinc/27/74/79/254277479.db2.gz BBKJXQDIVVAGIC-UHFFFAOYSA-N 1 3 314.455 0.648 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCCN(C)CCCOC)C1 ZINC000417753643 262260910 /nfs/dbraw/zinc/26/09/10/262260910.db2.gz OYTOGQDIZFOXBJ-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283903146 131032438 /nfs/dbraw/zinc/03/24/38/131032438.db2.gz CYUICGCJFKYLBJ-UHFFFAOYSA-N 1 3 320.437 0.384 20 0 DCADHO CO[C@@H](CN)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290164074 131460262 /nfs/dbraw/zinc/46/02/62/131460262.db2.gz OEUOMLGHNZZOPH-HOTGVXAUSA-N 1 3 305.422 0.941 20 0 DCADHO CO[C@@H](CN)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290164074 131460264 /nfs/dbraw/zinc/46/02/64/131460264.db2.gz OEUOMLGHNZZOPH-HOTGVXAUSA-N 1 3 305.422 0.941 20 0 DCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000236699349 395897085 /nfs/dbraw/zinc/89/70/85/395897085.db2.gz FLCFLNRMRWISFI-CZUORRHYSA-N 1 3 312.458 0.276 20 0 DCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1)[C@@H]1CCC[NH2+]1 ZINC000237950394 395919707 /nfs/dbraw/zinc/91/97/07/395919707.db2.gz ASFCJDLEFBDANI-SOUVJXGZSA-N 1 3 322.453 0.235 20 0 DCADHO O=C1CNC(=O)N1CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247060040 395965916 /nfs/dbraw/zinc/96/59/16/395965916.db2.gz ZROHUUDGIIJRKN-DZGCQCFKSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1CNC(=O)N1CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247060040 395965919 /nfs/dbraw/zinc/96/59/19/395965919.db2.gz ZROHUUDGIIJRKN-DZGCQCFKSA-N 1 3 320.437 0.877 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 ZINC000151480977 395986835 /nfs/dbraw/zinc/98/68/35/395986835.db2.gz RWLWJICKNXWOKG-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH3+])CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000261835224 396071344 /nfs/dbraw/zinc/07/13/44/396071344.db2.gz NLBWLSSDOJIRSP-AWEZNQCLSA-N 1 3 304.438 0.788 20 0 DCADHO COCC1(CNC(=O)[C@H](N)Cc2ccccc2)CC[NH2+]CC1 ZINC000261662084 396053128 /nfs/dbraw/zinc/05/31/28/396053128.db2.gz FIJKEWCUGIUVOF-OAHLLOKOSA-N 1 3 305.422 0.689 20 0 DCADHO CSCC[C@@H](N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000157315236 396062549 /nfs/dbraw/zinc/06/25/49/396062549.db2.gz QWKUXJJVWAPION-CHWSQXEVSA-N 1 3 303.472 0.276 20 0 DCADHO CN1CCC[C@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000152515636 396011441 /nfs/dbraw/zinc/01/14/41/396011441.db2.gz QBBWNOWTPODGFP-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261971889 396085920 /nfs/dbraw/zinc/08/59/20/396085920.db2.gz LPTVANVCJNNGFL-CABCVRRESA-N 1 3 313.442 0.498 20 0 DCADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000262002833 396089256 /nfs/dbraw/zinc/08/92/56/396089256.db2.gz UVPTVKDLHJSMCX-TZMCWYRMSA-N 1 3 303.410 0.805 20 0 DCADHO O=C(CCN1CCC[C@H]([NH+]2CCCC2)CC1)N1CCNCC1 ZINC000262152315 396104368 /nfs/dbraw/zinc/10/43/68/396104368.db2.gz PHQFLJWUCVDWNV-INIZCTEOSA-N 1 3 308.470 0.759 20 0 DCADHO CN(C)c1nccc(N2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC000262286336 396118230 /nfs/dbraw/zinc/11/82/30/396118230.db2.gz VINKSYATGCOIJT-UHFFFAOYSA-N 1 3 304.442 0.664 20 0 DCADHO COCCOCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262305377 396120838 /nfs/dbraw/zinc/12/08/38/396120838.db2.gz PBTAHXHMSUGXCT-GJZGRUSLSA-N 1 3 313.442 0.230 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262317824 396122868 /nfs/dbraw/zinc/12/28/68/396122868.db2.gz RADJQUFPYAUYTI-AWEZNQCLSA-N 1 3 305.426 0.514 20 0 DCADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262340720 396126761 /nfs/dbraw/zinc/12/67/61/396126761.db2.gz AGRRYOIBROVOSW-DZGCQCFKSA-N 1 3 323.462 0.799 20 0 DCADHO NC(=O)c1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261949553 396082451 /nfs/dbraw/zinc/08/24/51/396082451.db2.gz MSMNTBQQZAWZBN-AWEZNQCLSA-N 1 3 304.394 0.072 20 0 DCADHO Cc1c(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cnn1C ZINC000261952420 396083288 /nfs/dbraw/zinc/08/32/88/396083288.db2.gz WPMZLSUTDOYRCI-GOEBONIOSA-N 1 3 319.453 0.809 20 0 DCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263263637 396210173 /nfs/dbraw/zinc/21/01/73/396210173.db2.gz UIUSOQVUENHQMK-ZFWWWQNUSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1CN(CC2CC[NH+](CCOCCO)CC2)C[C@@H](C)O1 ZINC000074353910 396164486 /nfs/dbraw/zinc/16/44/86/396164486.db2.gz CERPTIHFTSREPU-HUUCEWRRSA-N 1 3 300.443 0.817 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000262663153 396169944 /nfs/dbraw/zinc/16/99/44/396169944.db2.gz ZWKPNHUNHJDJSW-DOTOQJQBSA-N 1 3 318.465 0.699 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CC3)cc2)C1 ZINC000262696098 396173643 /nfs/dbraw/zinc/17/36/43/396173643.db2.gz DRRQGAUXYQXVSF-ZDUSSCGKSA-N 1 3 316.405 0.814 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CC3)cc2)C1 ZINC000262696098 396173647 /nfs/dbraw/zinc/17/36/47/396173647.db2.gz DRRQGAUXYQXVSF-ZDUSSCGKSA-N 1 3 316.405 0.814 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCCCN1CCc2ccccc2C1 ZINC000262859101 396187761 /nfs/dbraw/zinc/18/77/61/396187761.db2.gz KZSTZUIABGKLSH-MRXNPFEDSA-N 1 3 305.422 0.915 20 0 DCADHO CCN1CCN(CCCC[NH2+][C@H](C)CS(=O)(=O)CC)CC1 ZINC000182410253 396250605 /nfs/dbraw/zinc/25/06/05/396250605.db2.gz IYJDTIDLMXQJDM-OAHLLOKOSA-N 1 3 319.515 0.817 20 0 DCADHO CN1CCN(CC[NH2+]Cc2cnc3cnccn23)CC1(C)C ZINC000282062044 396259891 /nfs/dbraw/zinc/25/98/91/396259891.db2.gz BNXSWISVSPGKJP-UHFFFAOYSA-N 1 3 302.426 0.845 20 0 DCADHO CN1CCC(O)(CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000077756325 396230719 /nfs/dbraw/zinc/23/07/19/396230719.db2.gz XBODSXBJFOPLIU-UHFFFAOYSA-N 1 3 312.458 0.618 20 0 DCADHO C[C@H]1CCC[N@H+](CCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077774370 396232611 /nfs/dbraw/zinc/23/26/11/396232611.db2.gz OOMHXNMLTGGOTL-AWEZNQCLSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077774370 396232613 /nfs/dbraw/zinc/23/26/13/396232613.db2.gz OOMHXNMLTGGOTL-AWEZNQCLSA-N 1 3 312.458 0.474 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188786817 396386246 /nfs/dbraw/zinc/38/62/46/396386246.db2.gz JKNOFYGAOWTQKH-LLVKDONJSA-N 1 3 309.414 0.142 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188786792 396386748 /nfs/dbraw/zinc/38/67/48/396386748.db2.gz JKNOFYGAOWTQKH-NSHDSACASA-N 1 3 309.414 0.142 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)[NH+](C)C ZINC000269482663 396418140 /nfs/dbraw/zinc/41/81/40/396418140.db2.gz BDAOZSWITBYROL-DLBZAZTESA-N 1 3 319.449 0.862 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000580055736 396484703 /nfs/dbraw/zinc/48/47/03/396484703.db2.gz MZVHVOMQYAUDBG-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N1CCN(C)CC1 ZINC000373747113 396611707 /nfs/dbraw/zinc/61/17/07/396611707.db2.gz SIHUOJFSCIEHDT-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N1CCN(C)CC1 ZINC000373747113 396611709 /nfs/dbraw/zinc/61/17/09/396611709.db2.gz SIHUOJFSCIEHDT-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO O=C(NCC[NH2+]C1CCN(c2ccncc2)CC1)c1ccn[nH]1 ZINC000294214216 396661643 /nfs/dbraw/zinc/66/16/43/396661643.db2.gz MXZWMHUAWZWIIR-UHFFFAOYSA-N 1 3 314.393 0.793 20 0 DCADHO Cc1nccnc1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000562672237 396673711 /nfs/dbraw/zinc/67/37/11/396673711.db2.gz ASVATNSWGOZKBB-UHFFFAOYSA-N 1 3 322.457 0.462 20 0 DCADHO C[NH2+]CCC1CCN([C@@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000595889743 396676959 /nfs/dbraw/zinc/67/69/59/396676959.db2.gz WDYBODPAQFWCRB-CQSZACIVSA-N 1 3 311.426 0.472 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000562825853 396682781 /nfs/dbraw/zinc/68/27/81/396682781.db2.gz UAQFGEUQICSIIJ-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[NH2+]1 ZINC000562829687 396683785 /nfs/dbraw/zinc/68/37/85/396683785.db2.gz OFNGEZSFTPDXOK-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CC1(N2CCCC2)CCOCC1)C1CC1 ZINC000562985011 396689919 /nfs/dbraw/zinc/68/99/19/396689919.db2.gz NVIJNIAIACIPKF-INIZCTEOSA-N 1 3 311.470 0.676 20 0 DCADHO Cn1nccc1N1CCC[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000563003332 396692226 /nfs/dbraw/zinc/69/22/26/396692226.db2.gz QRMGKWRASWHSKK-UKRRQHHQSA-N 1 3 307.442 0.434 20 0 DCADHO Cn1nccc1N1CCC[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000563003332 396692227 /nfs/dbraw/zinc/69/22/27/396692227.db2.gz QRMGKWRASWHSKK-UKRRQHHQSA-N 1 3 307.442 0.434 20 0 DCADHO Cn1nccc1N1CCC[C@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000563003333 396692572 /nfs/dbraw/zinc/69/25/72/396692572.db2.gz QRMGKWRASWHSKK-ZFWWWQNUSA-N 1 3 307.442 0.434 20 0 DCADHO Cn1nccc1N1CCC[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000563003333 396692575 /nfs/dbraw/zinc/69/25/75/396692575.db2.gz QRMGKWRASWHSKK-ZFWWWQNUSA-N 1 3 307.442 0.434 20 0 DCADHO CCN1CCN(CCCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000563091750 396701641 /nfs/dbraw/zinc/70/16/41/396701641.db2.gz DSVSWBWRKUCMDB-HUUCEWRRSA-N 1 3 313.490 0.829 20 0 DCADHO COCCNCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309653703 396757558 /nfs/dbraw/zinc/75/75/58/396757558.db2.gz AUVXNBGMGKFYKK-INIZCTEOSA-N 1 3 305.422 0.861 20 0 DCADHO COCCNCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309653703 396757563 /nfs/dbraw/zinc/75/75/63/396757563.db2.gz AUVXNBGMGKFYKK-INIZCTEOSA-N 1 3 305.422 0.861 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)N1CCN(C)CC1 ZINC000314016670 396775901 /nfs/dbraw/zinc/77/59/01/396775901.db2.gz HEDRTWXAUYDPTH-VXGBXAGGSA-N 1 3 306.401 0.357 20 0 DCADHO N[C@@H](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000375954172 396850644 /nfs/dbraw/zinc/85/06/44/396850644.db2.gz NNWHFXBLVHIJFJ-CVEARBPZSA-N 1 3 302.422 0.583 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000629613980 396809622 /nfs/dbraw/zinc/80/96/22/396809622.db2.gz ULVCWTGZINGENP-WDEREUQCSA-N 1 3 310.364 0.279 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000339585431 396960188 /nfs/dbraw/zinc/96/01/88/396960188.db2.gz XLORMIPMMCWNLX-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000339585431 396960190 /nfs/dbraw/zinc/96/01/90/396960190.db2.gz XLORMIPMMCWNLX-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000572398860 397054222 /nfs/dbraw/zinc/05/42/22/397054222.db2.gz GHEYVMKYXSPNDV-NVXWUHKLSA-N 1 3 308.470 0.520 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCSC1 ZINC000612977865 397169277 /nfs/dbraw/zinc/16/92/77/397169277.db2.gz SSIPSDVZUQALDY-IUODEOHRSA-N 1 3 312.483 0.865 20 0 DCADHO CN(c1ccccc1CNC[C@H](O)CO)C1CC[NH+](C)CC1 ZINC000364050550 397176658 /nfs/dbraw/zinc/17/66/58/397176658.db2.gz KDKRNIPCTUQASL-INIZCTEOSA-N 1 3 307.438 0.660 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573605653 397186251 /nfs/dbraw/zinc/18/62/51/397186251.db2.gz JFPVXMCJRXKXLR-YCPHGPKFSA-N 1 3 307.438 0.983 20 0 DCADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000592493952 397193374 /nfs/dbraw/zinc/19/33/74/397193374.db2.gz XJGWQULCYMVUSN-QWHCGFSZSA-N 1 3 308.426 0.686 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000592775810 397247065 /nfs/dbraw/zinc/24/70/65/397247065.db2.gz GLRNBWQZTVMVSC-IXDOHACOSA-N 1 3 322.497 0.954 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000592775810 397247067 /nfs/dbraw/zinc/24/70/67/397247067.db2.gz GLRNBWQZTVMVSC-IXDOHACOSA-N 1 3 322.497 0.954 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC[N@@H+](C2CCC2)C1 ZINC000574504757 397273814 /nfs/dbraw/zinc/27/38/14/397273814.db2.gz NJOJWPHAHGWGDF-ZFWWWQNUSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CC[N@H+](C2CCC2)C1 ZINC000574504757 397273818 /nfs/dbraw/zinc/27/38/18/397273818.db2.gz NJOJWPHAHGWGDF-ZFWWWQNUSA-N 1 3 310.442 0.491 20 0 DCADHO CCN1CCC[C@H](NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592955670 397301259 /nfs/dbraw/zinc/30/12/59/397301259.db2.gz BXWFCHKBVJMCJX-STQMWFEESA-N 1 3 305.426 0.933 20 0 DCADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@@H]3CCN(CC4CC4)C3)c21 ZINC000592958709 397302508 /nfs/dbraw/zinc/30/25/08/397302508.db2.gz HCIQNVWZARSTPS-ZIAGYGMSSA-N 1 3 317.437 0.933 20 0 DCADHO C[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)N(C)C1CC1 ZINC000592958549 397302812 /nfs/dbraw/zinc/30/28/12/397302812.db2.gz DCGGQVVQDAQHGX-NEPJUHHUSA-N 1 3 305.426 0.932 20 0 DCADHO CCCN1CCC(N(C)C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000577497069 397336656 /nfs/dbraw/zinc/33/66/56/397336656.db2.gz XAELAEOCBICYDX-UHFFFAOYSA-N 1 3 308.430 0.573 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000613957822 397352434 /nfs/dbraw/zinc/35/24/34/397352434.db2.gz TXNRSSNLOSRYDZ-SYQHCUMBSA-N 1 3 314.474 0.676 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000613957822 397352439 /nfs/dbraw/zinc/35/24/39/397352439.db2.gz TXNRSSNLOSRYDZ-SYQHCUMBSA-N 1 3 314.474 0.676 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)NCC[N@H+](C)C3CC3)C2)CC1 ZINC000369245535 397435356 /nfs/dbraw/zinc/43/53/56/397435356.db2.gz YJJGNJBZZYBLFM-MRXNPFEDSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)NCC[N@@H+](C)C3CC3)C2)CC1 ZINC000369245535 397435362 /nfs/dbraw/zinc/43/53/62/397435362.db2.gz YJJGNJBZZYBLFM-MRXNPFEDSA-N 1 3 323.485 0.502 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370191637 397453228 /nfs/dbraw/zinc/45/32/28/397453228.db2.gz DNTCYWYZBGFAHZ-MRXNPFEDSA-N 1 3 309.385 0.945 20 0 DCADHO CCC[C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000423629963 397397214 /nfs/dbraw/zinc/39/72/14/397397214.db2.gz KWLHTNKWHUYHDF-NEPJUHHUSA-N 1 3 324.391 0.669 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000621653404 397409377 /nfs/dbraw/zinc/40/93/77/397409377.db2.gz XOZYYYOPTVBEAY-CVEARBPZSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000578738309 397475015 /nfs/dbraw/zinc/47/50/15/397475015.db2.gz GIOFKVGOMIPQMV-HIFRSBDPSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](NC(=O)NC1CCN(CCO)CC1)C1CC[NH+](C)CC1 ZINC000606685501 397685588 /nfs/dbraw/zinc/68/55/88/397685588.db2.gz OUZWWYVIYQVTJF-ZDUSSCGKSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)C1CC[NH+](C)CC1 ZINC000606699090 397687075 /nfs/dbraw/zinc/68/70/75/397687075.db2.gz DMIAWWRTGXKTEE-ZFWWWQNUSA-N 1 3 312.458 0.689 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000333701035 286093417 /nfs/dbraw/zinc/09/34/17/286093417.db2.gz QVCKCCBKXAADHD-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000333794424 286093453 /nfs/dbraw/zinc/09/34/53/286093453.db2.gz GSUWYLPYFORIDQ-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO CCOCC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364458894 286127046 /nfs/dbraw/zinc/12/70/46/286127046.db2.gz IFRYBEONFOFJPR-NVXWUHKLSA-N 1 3 313.486 0.874 20 0 DCADHO O=C(CN1CCCC1)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000078833434 158075457 /nfs/dbraw/zinc/07/54/57/158075457.db2.gz RUORNTTZWDGPDX-UHFFFAOYSA-N 1 3 308.470 0.712 20 0 DCADHO CC[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]1 ZINC000134594127 158328922 /nfs/dbraw/zinc/32/89/22/158328922.db2.gz AIBCYOARAWCPGC-QGZVFWFLSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC(C)CC1)C[NH+]1CCN(C)CC1 ZINC000136308691 158343172 /nfs/dbraw/zinc/34/31/72/158343172.db2.gz CBOZLBYPJNWFSY-INIZCTEOSA-N 1 3 310.486 0.718 20 0 DCADHO CC(C)C[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000167210458 158367561 /nfs/dbraw/zinc/36/75/61/158367561.db2.gz SIOAGKKHNAIASP-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000316702259 159002948 /nfs/dbraw/zinc/00/29/48/159002948.db2.gz IWNCTTMCIUZULK-OWCLPIDISA-N 1 3 303.406 0.536 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000316702259 159002949 /nfs/dbraw/zinc/00/29/49/159002949.db2.gz IWNCTTMCIUZULK-OWCLPIDISA-N 1 3 303.406 0.536 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000317324975 159004813 /nfs/dbraw/zinc/00/48/13/159004813.db2.gz CWYHAIABKOLTKO-HIFRSBDPSA-N 1 3 312.458 0.324 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C1CC1 ZINC000359274430 159259678 /nfs/dbraw/zinc/25/96/78/159259678.db2.gz OFYRTILFVINNOV-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)C1CC1 ZINC000359274430 159259679 /nfs/dbraw/zinc/25/96/79/159259679.db2.gz OFYRTILFVINNOV-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO COC(=O)Cn1cc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)nn1 ZINC000367213609 159322353 /nfs/dbraw/zinc/32/23/53/159322353.db2.gz XJJMZNAQZLUXHF-YIONKMFJSA-N 1 3 321.425 0.551 20 0 DCADHO COC(=O)Cn1cc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)nn1 ZINC000367213609 159322354 /nfs/dbraw/zinc/32/23/54/159322354.db2.gz XJJMZNAQZLUXHF-YIONKMFJSA-N 1 3 321.425 0.551 20 0 DCADHO CCN1CCN(CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000367641935 159348667 /nfs/dbraw/zinc/34/86/67/159348667.db2.gz GMVHUPXKXSUYLC-RYTJFDOTSA-N 1 3 322.497 0.894 20 0 DCADHO Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130556308 286994787 /nfs/dbraw/zinc/99/47/87/286994787.db2.gz QWAIKUQOULKVSP-UHFFFAOYSA-N 1 3 320.437 0.885 20 0 DCADHO CCS(=O)(=O)NCCCN1CCC(CC[NH+](C)C)CC1 ZINC000131723805 287001797 /nfs/dbraw/zinc/00/17/97/287001797.db2.gz WWZOKKCKFRISBN-UHFFFAOYSA-N 1 3 305.488 0.980 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC(=O)C1 ZINC000246030675 287075493 /nfs/dbraw/zinc/07/54/93/287075493.db2.gz PNJGDHYMKWCZQL-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC(=O)C1 ZINC000246030675 287075495 /nfs/dbraw/zinc/07/54/95/287075495.db2.gz PNJGDHYMKWCZQL-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261857664 287127483 /nfs/dbraw/zinc/12/74/83/287127483.db2.gz MXVKIIHRRULAMC-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000334056044 287147847 /nfs/dbraw/zinc/14/78/47/287147847.db2.gz VIBGJWCUQVPDSB-JYJNAYRXSA-N 1 3 324.469 0.758 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000342112456 287153220 /nfs/dbraw/zinc/15/32/20/287153220.db2.gz WAOLJVLKCCJFCB-NUEKZKHPSA-N 1 3 308.470 0.646 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419179326 287270693 /nfs/dbraw/zinc/27/06/93/287270693.db2.gz HYTRIIACNOCHMD-ZFWWWQNUSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419179326 287270695 /nfs/dbraw/zinc/27/06/95/287270695.db2.gz HYTRIIACNOCHMD-ZFWWWQNUSA-N 1 3 324.469 0.705 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000420294463 287286379 /nfs/dbraw/zinc/28/63/79/287286379.db2.gz SVLUHKJFXZZEAT-CVEARBPZSA-N 1 3 304.438 0.829 20 0 DCADHO CCN(CC)CC(=O)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420306838 287288160 /nfs/dbraw/zinc/28/81/60/287288160.db2.gz AWXKCUDKBFLBAK-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CS(=O)(=O)NC[C@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000420324373 287290683 /nfs/dbraw/zinc/29/06/83/287290683.db2.gz VCNYZRYGLPFVMV-UONOGXRCSA-N 1 3 303.472 0.780 20 0 DCADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000331573730 415137143 /nfs/dbraw/zinc/13/71/43/415137143.db2.gz VNLOTKCVTUWPND-MGPQQGTHSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000422884792 287301172 /nfs/dbraw/zinc/30/11/72/287301172.db2.gz XNCYVNDWWJFTOD-BZUAXINKSA-N 1 3 310.486 0.907 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CCCCC1 ZINC000332084662 415235769 /nfs/dbraw/zinc/23/57/69/415235769.db2.gz DNXCZBFJAYNGNJ-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000332111741 415252720 /nfs/dbraw/zinc/25/27/20/415252720.db2.gz AAVRECPHLHBUMS-LJISPDSOSA-N 1 3 322.453 0.125 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](N)CCC(=O)OC)CC1 ZINC000342698656 415259887 /nfs/dbraw/zinc/25/98/87/415259887.db2.gz HFFDBEQXPOJJPN-CQSZACIVSA-N 1 3 313.442 0.847 20 0 DCADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCC[C@@H]1C(N)=O ZINC000422891903 287301934 /nfs/dbraw/zinc/30/19/34/287301934.db2.gz WSCINQRYZDQQIL-USXIJHARSA-N 1 3 318.465 0.874 20 0 DCADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[C@@H]1C(N)=O ZINC000422891903 287301936 /nfs/dbraw/zinc/30/19/36/287301936.db2.gz WSCINQRYZDQQIL-USXIJHARSA-N 1 3 318.465 0.874 20 0 DCADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN1C ZINC000332289395 415332029 /nfs/dbraw/zinc/33/20/29/415332029.db2.gz HCGLCQZDTDQSCO-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1C ZINC000332289395 415332035 /nfs/dbraw/zinc/33/20/35/415332035.db2.gz HCGLCQZDTDQSCO-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332448682 415402873 /nfs/dbraw/zinc/40/28/73/415402873.db2.gz KZIRIAOIWLXRRJ-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000332448682 415402875 /nfs/dbraw/zinc/40/28/75/415402875.db2.gz KZIRIAOIWLXRRJ-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO COC(=O)CN(C)C(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924251 415374124 /nfs/dbraw/zinc/37/41/24/415374124.db2.gz YMLTZQCJZZHFDU-PBWFPOADSA-N 1 3 311.426 0.565 20 0 DCADHO COC(=O)CN(C)C(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352924251 415374135 /nfs/dbraw/zinc/37/41/35/415374135.db2.gz YMLTZQCJZZHFDU-PBWFPOADSA-N 1 3 311.426 0.565 20 0 DCADHO CN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000343255698 415515367 /nfs/dbraw/zinc/51/53/67/415515367.db2.gz YHZRVDWEOWYPTE-BRWVUGGUSA-N 1 3 310.486 0.371 20 0 DCADHO CN1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000332996814 415523252 /nfs/dbraw/zinc/52/32/52/415523252.db2.gz GWEUUQXYKYYHGB-JKSUJKDBSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304601 415544613 /nfs/dbraw/zinc/54/46/13/415544613.db2.gz JBCKONILACWFKJ-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304461 415544873 /nfs/dbraw/zinc/54/48/73/415544873.db2.gz VCKOQQCWRCRUOX-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304461 415544879 /nfs/dbraw/zinc/54/48/79/415544879.db2.gz VCKOQQCWRCRUOX-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333160342 415572049 /nfs/dbraw/zinc/57/20/49/415572049.db2.gz GJWPUOSSEQUWQE-FVQBIDKESA-N 1 3 321.469 0.158 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CCCC[C@@H]2C[NH3+])CCSC1 ZINC000333398629 415634329 /nfs/dbraw/zinc/63/43/29/415634329.db2.gz PRBPSJPKIFRILU-OCCSQVGLSA-N 1 3 300.472 0.947 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@]2(N(C)C)CCSC2)CC[C@H]1[NH3+] ZINC000333402594 415637929 /nfs/dbraw/zinc/63/79/29/415637929.db2.gz QESRJXQNVJKDTH-YRGRVCCFSA-N 1 3 300.472 0.802 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343383597 415580690 /nfs/dbraw/zinc/58/06/90/415580690.db2.gz MZZVVMWGTNGYAY-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343383597 415580694 /nfs/dbraw/zinc/58/06/94/415580694.db2.gz MZZVVMWGTNGYAY-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289949681 415739229 /nfs/dbraw/zinc/73/92/29/415739229.db2.gz MCHMGUXUSMVKJB-HOTGVXAUSA-N 1 3 305.422 0.641 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289949681 415739235 /nfs/dbraw/zinc/73/92/35/415739235.db2.gz MCHMGUXUSMVKJB-HOTGVXAUSA-N 1 3 305.422 0.641 20 0 DCADHO CO[C@H](CN)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289949687 415740122 /nfs/dbraw/zinc/74/01/22/415740122.db2.gz MCHMGUXUSMVKJB-JKSUJKDBSA-N 1 3 305.422 0.641 20 0 DCADHO CO[C@H](CN)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289949687 415740127 /nfs/dbraw/zinc/74/01/27/415740127.db2.gz MCHMGUXUSMVKJB-JKSUJKDBSA-N 1 3 305.422 0.641 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000343821359 415740742 /nfs/dbraw/zinc/74/07/42/415740742.db2.gz FTCLCVKHLAGJOR-GOEBONIOSA-N 1 3 308.470 0.613 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000343821359 415740750 /nfs/dbraw/zinc/74/07/50/415740750.db2.gz FTCLCVKHLAGJOR-GOEBONIOSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CNCCO1 ZINC000333794484 415741983 /nfs/dbraw/zinc/74/19/83/415741983.db2.gz MZDLSSYDSLYLOV-LXTVHRRPSA-N 1 3 312.458 0.640 20 0 DCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CNCCO1 ZINC000333794484 415741992 /nfs/dbraw/zinc/74/19/92/415741992.db2.gz MZDLSSYDSLYLOV-LXTVHRRPSA-N 1 3 312.458 0.640 20 0 DCADHO CO[C@H](CN)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000289993554 415745824 /nfs/dbraw/zinc/74/58/24/415745824.db2.gz OYAOZTXGFRFUBB-MRXNPFEDSA-N 1 3 305.422 0.783 20 0 DCADHO CO[C@H](C[NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000289918499 415735516 /nfs/dbraw/zinc/73/55/16/415735516.db2.gz KEUSFDXPQZNXHF-OAHLLOKOSA-N 1 3 305.422 0.913 20 0 DCADHO C[NH+](C)[C@@H](CNC(=O)N1CCOC2(CNC2)C1)C1CCCCC1 ZINC000333952420 415772789 /nfs/dbraw/zinc/77/27/89/415772789.db2.gz ZZFKPZPQBGYCDV-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000343988988 415811099 /nfs/dbraw/zinc/81/10/99/415811099.db2.gz PCOMKSWGOMELHY-CQSZACIVSA-N 1 3 307.394 0.645 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000356342202 415900701 /nfs/dbraw/zinc/90/07/01/415900701.db2.gz VODJFCWBSFWSIF-CYBMUJFWSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000356342202 415900705 /nfs/dbraw/zinc/90/07/05/415900705.db2.gz VODJFCWBSFWSIF-CYBMUJFWSA-N 1 3 300.447 0.689 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000344497817 415929966 /nfs/dbraw/zinc/92/99/66/415929966.db2.gz RMBFMIHCKZRPIS-IAGOWNOFSA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000344497817 415929972 /nfs/dbraw/zinc/92/99/72/415929972.db2.gz RMBFMIHCKZRPIS-IAGOWNOFSA-N 1 3 322.497 0.861 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337548194 415975168 /nfs/dbraw/zinc/97/51/68/415975168.db2.gz OBHUUBQLOUCWJZ-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337548194 415975170 /nfs/dbraw/zinc/97/51/70/415975170.db2.gz OBHUUBQLOUCWJZ-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CCOC(=O)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000337578523 415980331 /nfs/dbraw/zinc/98/03/31/415980331.db2.gz LHJPNHVSLVMYHK-CQSZACIVSA-N 1 3 313.442 0.814 20 0 DCADHO CCOC(=O)CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000337578523 415980335 /nfs/dbraw/zinc/98/03/35/415980335.db2.gz LHJPNHVSLVMYHK-CQSZACIVSA-N 1 3 313.442 0.814 20 0 DCADHO CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000357202260 416044660 /nfs/dbraw/zinc/04/46/60/416044660.db2.gz DMSMDAJMEUDAND-CABCVRRESA-N 1 3 322.453 0.234 20 0 DCADHO CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000357202260 416044662 /nfs/dbraw/zinc/04/46/62/416044662.db2.gz DMSMDAJMEUDAND-CABCVRRESA-N 1 3 322.453 0.234 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000357223389 416047029 /nfs/dbraw/zinc/04/70/29/416047029.db2.gz JCTKSCSIVUWONN-JFIYKMOQSA-N 1 3 322.497 0.908 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000172573101 416047797 /nfs/dbraw/zinc/04/77/97/416047797.db2.gz ZLGVVFWLIMOPHM-HOTGVXAUSA-N 1 3 324.469 0.758 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000314640139 416112435 /nfs/dbraw/zinc/11/24/35/416112435.db2.gz FDUYDIJTEICRHK-UHFFFAOYSA-N 1 3 306.410 0.471 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000357681422 416115179 /nfs/dbraw/zinc/11/51/79/416115179.db2.gz KOSNCDYLPAJTHJ-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1 ZINC000357927371 416154500 /nfs/dbraw/zinc/15/45/00/416154500.db2.gz QUMHKDAHWAVAEZ-KBPBESRZSA-N 1 3 320.393 0.238 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000358267595 416218955 /nfs/dbraw/zinc/21/89/55/416218955.db2.gz ACKBYSNPGAZEOU-RBSFLKMASA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000358267595 416218957 /nfs/dbraw/zinc/21/89/57/416218957.db2.gz ACKBYSNPGAZEOU-RBSFLKMASA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000330917032 416247330 /nfs/dbraw/zinc/24/73/30/416247330.db2.gz LLFARLJBSVZWGW-ZDUSSCGKSA-N 1 3 308.430 0.860 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000358533131 416252249 /nfs/dbraw/zinc/25/22/49/416252249.db2.gz UNTLSTWWNUGTTK-ZIAGYGMSSA-N 1 3 300.447 0.689 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1(C)C ZINC000188145818 416262316 /nfs/dbraw/zinc/26/23/16/416262316.db2.gz LQJKSELKMUGBKR-WBMJQRKESA-N 1 3 323.441 0.916 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)C(C)C ZINC000342055798 416275658 /nfs/dbraw/zinc/27/56/58/416275658.db2.gz BXCWFABYWITVGP-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1)C(C)C ZINC000342055798 416275659 /nfs/dbraw/zinc/27/56/59/416275659.db2.gz BXCWFABYWITVGP-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[C@@H]1C[NH2+]CCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000359048506 416300932 /nfs/dbraw/zinc/30/09/32/416300932.db2.gz VRPRJUUVTGGCPI-MRXNPFEDSA-N 1 3 308.470 0.803 20 0 DCADHO O=C(CCN1CCC[C@H]1C[NH+]1CCCCC1)N1CCNCC1 ZINC000262021017 416335806 /nfs/dbraw/zinc/33/58/06/416335806.db2.gz GCOCOCHNHWZOJE-INIZCTEOSA-N 1 3 308.470 0.759 20 0 DCADHO O=C(CC[N@@H+]1CCC[C@H]1CN1CCCCC1)N1CCNCC1 ZINC000262021017 416335807 /nfs/dbraw/zinc/33/58/07/416335807.db2.gz GCOCOCHNHWZOJE-INIZCTEOSA-N 1 3 308.470 0.759 20 0 DCADHO O=C(CC[N@H+]1CCC[C@H]1CN1CCCCC1)N1CCNCC1 ZINC000262021017 416335808 /nfs/dbraw/zinc/33/58/08/416335808.db2.gz GCOCOCHNHWZOJE-INIZCTEOSA-N 1 3 308.470 0.759 20 0 DCADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])ccc1CN(C)C ZINC000415511025 416345865 /nfs/dbraw/zinc/34/58/65/416345865.db2.gz MGDVBFJJMNCGSH-NSHDSACASA-N 1 3 306.410 0.706 20 0 DCADHO C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N(C)C1CC1 ZINC000237322401 416328309 /nfs/dbraw/zinc/32/83/09/416328309.db2.gz XZRYVIBBTJMIOA-NSHDSACASA-N 1 3 306.414 0.415 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418383386 416386439 /nfs/dbraw/zinc/38/64/39/416386439.db2.gz NMWVFEWYLJCLEM-HNNXBMFYSA-N 1 3 312.458 0.724 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000418382464 416386610 /nfs/dbraw/zinc/38/66/10/416386610.db2.gz HXESVVKVZWDHSN-AWEZNQCLSA-N 1 3 313.490 0.685 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1CCCCC1 ZINC000418831664 416391031 /nfs/dbraw/zinc/39/10/31/416391031.db2.gz JIZVEYLDFQEKJK-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418960363 416394682 /nfs/dbraw/zinc/39/46/82/416394682.db2.gz IVEBHWHBNXPVAP-AWEZNQCLSA-N 1 3 320.437 0.301 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418990124 416395508 /nfs/dbraw/zinc/39/55/08/416395508.db2.gz CLRMTWFLCQIBQB-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419117442 416397014 /nfs/dbraw/zinc/39/70/14/416397014.db2.gz HFTJKVWDQCTRJD-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000419413601 416401095 /nfs/dbraw/zinc/40/10/95/416401095.db2.gz SEPHCKLOLLFNRO-CQSZACIVSA-N 1 3 324.469 0.340 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419730840 416406926 /nfs/dbraw/zinc/40/69/26/416406926.db2.gz KFKCDZLJRVTDNA-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360745688 416407287 /nfs/dbraw/zinc/40/72/87/416407287.db2.gz MHGNTSOOOQVARQ-AWEZNQCLSA-N 1 3 300.472 0.771 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419772767 416410011 /nfs/dbraw/zinc/41/00/11/416410011.db2.gz ZDLAQCXBTKQQLG-ZIAGYGMSSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419782846 416410661 /nfs/dbraw/zinc/41/06/61/416410661.db2.gz UVZZURMZISSWOU-MCIONIFRSA-N 1 3 324.469 0.419 20 0 DCADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCN(C2CC2)C1 ZINC000458396341 416461768 /nfs/dbraw/zinc/46/17/68/416461768.db2.gz DPVBWVGUFZGPNF-HIFRSBDPSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)N[C@@H]1CCN(C2CC2)C1 ZINC000458396341 416461774 /nfs/dbraw/zinc/46/17/74/416461774.db2.gz DPVBWVGUFZGPNF-HIFRSBDPSA-N 1 3 310.442 0.369 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nn1 ZINC000423113994 416467003 /nfs/dbraw/zinc/46/70/03/416467003.db2.gz ZQCOJXMGJDDSJU-HZSPNIEDSA-N 1 3 321.425 0.965 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434339022 416469379 /nfs/dbraw/zinc/46/93/79/416469379.db2.gz SCNFKUVXAPZGAC-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000423125664 416471366 /nfs/dbraw/zinc/47/13/66/416471366.db2.gz NULADTNVESJBMJ-RWMBFGLXSA-N 1 3 306.476 0.363 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]([NH3+])C2)o1 ZINC000423166474 416474051 /nfs/dbraw/zinc/47/40/51/416474051.db2.gz CSNPJNOOGVMTRB-CYBMUJFWSA-N 1 3 322.409 0.038 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000423209433 416477918 /nfs/dbraw/zinc/47/79/18/416477918.db2.gz FKMRVVVOFYMEQA-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000423204894 416479038 /nfs/dbraw/zinc/47/90/38/416479038.db2.gz UZQWIMCHDWFWDO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423635327 416532305 /nfs/dbraw/zinc/53/23/05/416532305.db2.gz ABDOCRZTQOYXGR-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423646655 416535270 /nfs/dbraw/zinc/53/52/70/416535270.db2.gz MDHWEIZUJXDQOD-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423646655 416535274 /nfs/dbraw/zinc/53/52/74/416535274.db2.gz MDHWEIZUJXDQOD-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423717471 416545132 /nfs/dbraw/zinc/54/51/32/416545132.db2.gz ABGYHPZDLFDDNA-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)[C@@H](C)CN)C(C)C ZINC000423727503 416552704 /nfs/dbraw/zinc/55/27/04/416552704.db2.gz VDHKYUTTZPVRGI-ZDUSSCGKSA-N 1 3 300.447 0.369 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000423745349 416557433 /nfs/dbraw/zinc/55/74/33/416557433.db2.gz MHVKLRCHIDUORX-UONOGXRCSA-N 1 3 315.483 0.651 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCCO1 ZINC000458723891 416495086 /nfs/dbraw/zinc/49/50/86/416495086.db2.gz OQLFGRYVWYMKGJ-HRCADAONSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCCO1 ZINC000458723891 416495089 /nfs/dbraw/zinc/49/50/89/416495089.db2.gz OQLFGRYVWYMKGJ-HRCADAONSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1CN)C[NH+]1CCCCC1 ZINC000584161735 416504335 /nfs/dbraw/zinc/50/43/35/416504335.db2.gz SPDZLBHHKCJQMR-GJZGRUSLSA-N 1 3 311.474 0.393 20 0 DCADHO C[C@H](NC1CC1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000584170476 416505922 /nfs/dbraw/zinc/50/59/22/416505922.db2.gz SLMCSLXIDMXZGB-ZDUSSCGKSA-N 1 3 308.470 0.802 20 0 DCADHO CN1CCN(C(=O)NC[C@H]2NCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000584221765 416508857 /nfs/dbraw/zinc/50/88/57/416508857.db2.gz QMDVXBICGRWQSX-GDBMZVCRSA-N 1 3 317.437 0.158 20 0 DCADHO COc1ccc([C@H](NC[C@@H]2CNCCN2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423485536 416516916 /nfs/dbraw/zinc/51/69/16/416516916.db2.gz AVLICDHOTROVND-SZMVWBNQSA-N 1 3 318.465 0.982 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423516215 416519504 /nfs/dbraw/zinc/51/95/04/416519504.db2.gz SZAAPZJAPRYCMV-KGLIPLIRSA-N 1 3 312.458 0.228 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000541720144 416611073 /nfs/dbraw/zinc/61/10/73/416611073.db2.gz KKUDMNQZSYABRO-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000541720144 416611077 /nfs/dbraw/zinc/61/10/77/416611077.db2.gz KKUDMNQZSYABRO-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424143545 416616226 /nfs/dbraw/zinc/61/62/26/416616226.db2.gz KAZQLYZLKNMEOO-UONOGXRCSA-N 1 3 320.441 0.759 20 0 DCADHO O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000424150457 416618853 /nfs/dbraw/zinc/61/88/53/416618853.db2.gz YXZGRKSDSKAGTI-QWHCGFSZSA-N 1 3 303.410 0.797 20 0 DCADHO Cn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CC12CC[NH2+]CC2 ZINC000424158407 416619423 /nfs/dbraw/zinc/61/94/23/416619423.db2.gz OPINTFAEFWPELY-FRRDWIJNSA-N 1 3 303.410 0.238 20 0 DCADHO O=C(N[C@@H]1CNCCC1(F)F)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424170442 416621203 /nfs/dbraw/zinc/62/12/03/416621203.db2.gz AZVLHABZLZWPOA-GXSJLCMTSA-N 1 3 313.352 0.604 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)NC[C@H]2CCNCC2(F)F)CC1 ZINC000424186431 416624528 /nfs/dbraw/zinc/62/45/28/416624528.db2.gz HFMGGVRCVKNUOS-GFCCVEGCSA-N 1 3 318.412 0.551 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C[C@H]2N)cn1 ZINC000424233547 416631806 /nfs/dbraw/zinc/63/18/06/416631806.db2.gz JCXODTSCFKGIMG-FXUDXRNXSA-N 1 3 319.453 0.971 20 0 DCADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C[C@H]2CCc3ncnn32)CC1 ZINC000631828453 416750936 /nfs/dbraw/zinc/75/09/36/416750936.db2.gz PJAXUOGKWQCCSE-FMKPAKJESA-N 1 3 305.426 0.984 20 0 DCADHO CN(C)c1ncc(CNCCN2CCC([NH+](C)C)CC2)n1C ZINC000425351668 416697177 /nfs/dbraw/zinc/69/71/77/416697177.db2.gz MFAMTKRHIIXDMY-UHFFFAOYSA-N 1 3 308.474 0.602 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000516467988 416724077 /nfs/dbraw/zinc/72/40/77/416724077.db2.gz MGYXAKXXLBTLHX-UXLLHSPISA-N 1 3 308.422 0.611 20 0 DCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)C1 ZINC000443062650 416728850 /nfs/dbraw/zinc/72/88/50/416728850.db2.gz UPUNZKGDEGBHLS-CABCVRRESA-N 1 3 310.442 0.174 20 0 DCADHO Cn1ccc(N2CCC[C@@H](N3CCC[C@H](CC[NH3+])C3)C2=O)n1 ZINC000443063031 416729154 /nfs/dbraw/zinc/72/91/54/416729154.db2.gz VJJUDBKDCMHLIC-ZIAGYGMSSA-N 1 3 305.426 0.976 20 0 DCADHO C[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)[C@@H]1C[NH3+] ZINC000631905454 416787911 /nfs/dbraw/zinc/78/79/11/416787911.db2.gz NCEYYGUHLRPXAT-UONOGXRCSA-N 1 3 303.472 0.861 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636619992 416799340 /nfs/dbraw/zinc/79/93/40/416799340.db2.gz RCTKIOUHDUJFSW-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000631937555 416816726 /nfs/dbraw/zinc/81/67/26/416816726.db2.gz JMGRWQDOQKGENY-CQSZACIVSA-N 1 3 303.472 0.589 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623664264 416864630 /nfs/dbraw/zinc/86/46/30/416864630.db2.gz ZGESLDPUVQTAFB-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623664264 416864639 /nfs/dbraw/zinc/86/46/39/416864639.db2.gz ZGESLDPUVQTAFB-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC000444269957 416825981 /nfs/dbraw/zinc/82/59/81/416825981.db2.gz PEKSZEQPZYPCAU-MRXNPFEDSA-N 1 3 302.422 0.412 20 0 DCADHO COCC1(CNC(=O)N2CCN(C)CC[C@H]2C)CC[NH2+]CC1 ZINC000565294189 416962951 /nfs/dbraw/zinc/96/29/51/416962951.db2.gz GLRCDLGHTPZPSN-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+](CC)Cc1cccc(CNc2nc(N)nc(N)n2)c1 ZINC000623872102 416911965 /nfs/dbraw/zinc/91/19/65/416911965.db2.gz VNWPHVJRBLRBEK-UHFFFAOYSA-N 1 3 301.398 0.573 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000520833020 416978812 /nfs/dbraw/zinc/97/88/12/416978812.db2.gz DICVZGQGSUCNDC-DLBZAZTESA-N 1 3 313.486 0.733 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)[C@@H](C)C1 ZINC000624335508 417008387 /nfs/dbraw/zinc/00/83/87/417008387.db2.gz UBULBFFZSBKUIJ-ULQDDVLXSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CC[C@H](O)C2)[C@@H](C)C1 ZINC000624335508 417008391 /nfs/dbraw/zinc/00/83/91/417008391.db2.gz UBULBFFZSBKUIJ-ULQDDVLXSA-N 1 3 313.486 0.780 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCN2CC[C@H](O)C2)[C@@H](C)C1 ZINC000624335508 417008400 /nfs/dbraw/zinc/00/84/00/417008400.db2.gz UBULBFFZSBKUIJ-ULQDDVLXSA-N 1 3 313.486 0.780 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431028822 417100135 /nfs/dbraw/zinc/10/01/35/417100135.db2.gz UXNZTYHEARRRIZ-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)CCn1cc(C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000632350954 417038867 /nfs/dbraw/zinc/03/88/67/417038867.db2.gz ICCPXVVSGQGQFV-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642329779 417044703 /nfs/dbraw/zinc/04/47/03/417044703.db2.gz OVGLZXGHAPOHPI-ILXRZTDVSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642785724 417102509 /nfs/dbraw/zinc/10/25/09/417102509.db2.gz FQFPJCMMTCZRQG-DZGCQCFKSA-N 1 3 322.453 0.174 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(CCn2cccn2)CC1 ZINC000522138155 417051703 /nfs/dbraw/zinc/05/17/03/417051703.db2.gz HALRDHJMNQLPAJ-OAHLLOKOSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(CCn2cccn2)CC1 ZINC000522138155 417051709 /nfs/dbraw/zinc/05/17/09/417051709.db2.gz HALRDHJMNQLPAJ-OAHLLOKOSA-N 1 3 319.453 0.758 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000642439636 417051994 /nfs/dbraw/zinc/05/19/94/417051994.db2.gz MLJFUNSDRXZETM-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000642439566 417052776 /nfs/dbraw/zinc/05/27/76/417052776.db2.gz MGEALXKSSQEYOB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000642440152 417056713 /nfs/dbraw/zinc/05/67/13/417056713.db2.gz XGOGZSYPWJGSIC-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000430700094 417059371 /nfs/dbraw/zinc/05/93/71/417059371.db2.gz AJGPMEPBLPNUNN-KFWWJZLASA-N 1 3 313.442 0.371 20 0 DCADHO [NH3+]C[C@@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430669216 417059547 /nfs/dbraw/zinc/05/95/47/417059547.db2.gz SSCHCLNRBLNBDT-VIFPVBQESA-N 1 3 310.320 0.435 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000642732199 417085661 /nfs/dbraw/zinc/08/56/61/417085661.db2.gz XTSWCUJLEAMPOL-QLFBSQMISA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000642808227 417106790 /nfs/dbraw/zinc/10/67/90/417106790.db2.gz PGSHPRWXIUUZTN-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000449119058 417121114 /nfs/dbraw/zinc/12/11/14/417121114.db2.gz WAJXELBSAHDDHC-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO N[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)C[C@H]1c1ccccc1F ZINC000568394359 417130493 /nfs/dbraw/zinc/13/04/93/417130493.db2.gz KOPKENNBCHBDQE-DZGCQCFKSA-N 1 3 321.396 0.834 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2(N)CCC2)CC1 ZINC000449333648 417139595 /nfs/dbraw/zinc/13/95/95/417139595.db2.gz BUZXLNPVPFQDNV-HUUCEWRRSA-N 1 3 308.470 0.885 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449322176 417139804 /nfs/dbraw/zinc/13/98/04/417139804.db2.gz WNCJSZWSJVRODY-UONOGXRCSA-N 1 3 320.441 0.634 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000642989324 417140055 /nfs/dbraw/zinc/14/00/55/417140055.db2.gz PHSMTNGMWBLDRF-XGUBFFRZSA-N 1 3 322.453 0.328 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000637746293 417171340 /nfs/dbraw/zinc/17/13/40/417171340.db2.gz QJXAJDNQXDLOFY-HUUCEWRRSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000449804839 417176719 /nfs/dbraw/zinc/17/67/19/417176719.db2.gz TZSURANPESSQAJ-XVIXHAIJSA-N 1 3 312.458 0.001 20 0 DCADHO C[C@H](CNC(=O)[C@H]1[C@H](C(=O)NC[C@H](C)N(C)C)[C@@H]1C)[NH+](C)C ZINC000449804839 417176724 /nfs/dbraw/zinc/17/67/24/417176724.db2.gz TZSURANPESSQAJ-XVIXHAIJSA-N 1 3 312.458 0.001 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000411025482 417184942 /nfs/dbraw/zinc/18/49/42/417184942.db2.gz MLVIKYZONCSPSA-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000568885972 417190633 /nfs/dbraw/zinc/19/06/33/417190633.db2.gz NTGMXAWOOIXTQM-HUUCEWRRSA-N 1 3 311.474 0.391 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000637804087 417190742 /nfs/dbraw/zinc/19/07/42/417190742.db2.gz LSMCWSJMHDMUCC-INIZCTEOSA-N 1 3 304.438 0.643 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637814981 417195279 /nfs/dbraw/zinc/19/52/79/417195279.db2.gz CMJVUPVYPNVVOX-JKSUJKDBSA-N 1 3 304.438 0.704 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000637820048 417197020 /nfs/dbraw/zinc/19/70/20/417197020.db2.gz UHXKBLJUQLBCMS-GPANFISMSA-N 1 3 304.438 0.832 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859751 417209407 /nfs/dbraw/zinc/20/94/07/417209407.db2.gz OFXGGOBGQLQWQG-IXDOHACOSA-N 1 3 316.449 0.799 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000643500592 417226589 /nfs/dbraw/zinc/22/65/89/417226589.db2.gz HIWMWULAMCFVDY-UHFFFAOYSA-N 1 3 324.469 0.659 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CN1C1CC1 ZINC000433401624 417265765 /nfs/dbraw/zinc/26/57/65/417265765.db2.gz SXFJOEGPGKLORS-BZPMIXESSA-N 1 3 318.425 0.558 20 0 DCADHO CCn1cc(CC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cn1 ZINC000621776090 417292633 /nfs/dbraw/zinc/29/26/33/417292633.db2.gz BOMZNTJJFAWLPN-HNNXBMFYSA-N 1 3 303.414 0.833 20 0 DCADHO CCn1cc(CC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cn1 ZINC000621776090 417292638 /nfs/dbraw/zinc/29/26/38/417292638.db2.gz BOMZNTJJFAWLPN-HNNXBMFYSA-N 1 3 303.414 0.833 20 0 DCADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)CC2 ZINC000643526154 417235595 /nfs/dbraw/zinc/23/55/95/417235595.db2.gz QZGIHKYYWSGAKW-XGUBFFRZSA-N 1 3 322.453 0.266 20 0 DCADHO CN(CC[NH3+])C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643531779 417238627 /nfs/dbraw/zinc/23/86/27/417238627.db2.gz IEKKWFVXQGOOFM-HNNXBMFYSA-N 1 3 318.421 0.136 20 0 DCADHO CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414707631 417295895 /nfs/dbraw/zinc/29/58/95/417295895.db2.gz MXNMUOSFPPYGIJ-BFHYXJOUSA-N 1 3 303.472 0.777 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)NCCN(C)C2CC2)CCCO1 ZINC000433336665 417250225 /nfs/dbraw/zinc/25/02/25/417250225.db2.gz AINLZGKIHVWASR-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCCN(C)C2CC2)CCCO1 ZINC000433336665 417250230 /nfs/dbraw/zinc/25/02/30/417250230.db2.gz AINLZGKIHVWASR-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(NC[C@H]1CCN(C2CC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433373517 417259960 /nfs/dbraw/zinc/25/99/60/417259960.db2.gz CRKYPXINGZXKQJ-TZMCWYRMSA-N 1 3 318.425 0.417 20 0 DCADHO C[NH+](C)CC1CCC(NC(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC000643777431 417350234 /nfs/dbraw/zinc/35/02/34/417350234.db2.gz JCIKWEKFUQRPQS-NRXISQOPSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)C1 ZINC000638140502 417351267 /nfs/dbraw/zinc/35/12/67/417351267.db2.gz JURXBZVGNCTIBK-LSDHHAIUSA-N 1 3 309.458 0.145 20 0 DCADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H](N2CCCCC2)C1 ZINC000633088599 417351890 /nfs/dbraw/zinc/35/18/90/417351890.db2.gz ICWTVFYPQWNJGI-ZNMIVQPWSA-N 1 3 320.437 0.036 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000638141519 417353256 /nfs/dbraw/zinc/35/32/56/417353256.db2.gz KVUUPPNCPCXZAD-QGZVFWFLSA-N 1 3 318.465 0.998 20 0 DCADHO COC[C@]1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCC[NH2+]1 ZINC000570549935 417364157 /nfs/dbraw/zinc/36/41/57/417364157.db2.gz IYTDFAWQAPDQSY-XNRPHZJLSA-N 1 3 310.442 0.537 20 0 DCADHO CCN(CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000414876321 417309213 /nfs/dbraw/zinc/30/92/13/417309213.db2.gz KOUONEWOBOABMW-UHFFFAOYSA-N 1 3 304.394 0.684 20 0 DCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638073737 417309933 /nfs/dbraw/zinc/30/99/33/417309933.db2.gz XAQMNMXJWASZHA-IAGOWNOFSA-N 1 3 318.465 0.904 20 0 DCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638073737 417309938 /nfs/dbraw/zinc/30/99/38/417309938.db2.gz XAQMNMXJWASZHA-IAGOWNOFSA-N 1 3 318.465 0.904 20 0 DCADHO CN1CCN(c2ncc(CNCCC[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000414973847 417320015 /nfs/dbraw/zinc/32/00/15/417320015.db2.gz MYTIMQQDIXXAKS-INIZCTEOSA-N 1 3 318.469 0.850 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638097986 417325298 /nfs/dbraw/zinc/32/52/98/417325298.db2.gz YQULKNCKLWSQRV-INIZCTEOSA-N 1 3 306.454 0.902 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638097986 417325304 /nfs/dbraw/zinc/32/53/04/417325304.db2.gz YQULKNCKLWSQRV-INIZCTEOSA-N 1 3 306.454 0.902 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000627291775 417332785 /nfs/dbraw/zinc/33/27/85/417332785.db2.gz DOEPGZMSKAGSTO-HNNXBMFYSA-N 1 3 320.437 0.083 20 0 DCADHO C[NH+](C)CCCOc1cccc(NC(=O)CN2CCNCC2)c1 ZINC000638112220 417338049 /nfs/dbraw/zinc/33/80/49/417338049.db2.gz IKYPWNSLQHTNRM-UHFFFAOYSA-N 1 3 320.437 0.861 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000638238870 417389049 /nfs/dbraw/zinc/38/90/49/417389049.db2.gz CVRADLQQNGRXGL-OAHLLOKOSA-N 1 3 319.453 0.906 20 0 DCADHO COC[C@]1(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638239158 417390607 /nfs/dbraw/zinc/39/06/07/417390607.db2.gz FXQUSRXSOQXCRQ-RDJZCZTQSA-N 1 3 309.454 0.993 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638265044 417395854 /nfs/dbraw/zinc/39/58/54/417395854.db2.gz BHIZMMPMTSHZNO-YESZJQIVSA-N 1 3 316.449 0.656 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000638275524 417401539 /nfs/dbraw/zinc/40/15/39/417401539.db2.gz YTCVRUTYYMTOOP-OWCLPIDISA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000638275524 417401544 /nfs/dbraw/zinc/40/15/44/417401544.db2.gz YTCVRUTYYMTOOP-OWCLPIDISA-N 1 3 308.470 0.755 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000570913045 417404595 /nfs/dbraw/zinc/40/45/95/417404595.db2.gz YZCHHXPKZDIFOA-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CCN(CCC(=O)NCC2CC[NH+](CC)CC2)CC1 ZINC000571181230 417433002 /nfs/dbraw/zinc/43/30/02/417433002.db2.gz AILAOENZKYSVHZ-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000638337163 417424724 /nfs/dbraw/zinc/42/47/24/417424724.db2.gz PFOTXFKUSPQXCF-QGPMSJSTSA-N 1 3 318.465 0.889 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000571102592 417424923 /nfs/dbraw/zinc/42/49/23/417424923.db2.gz PYNYFFAFKSVQQV-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000571102592 417424929 /nfs/dbraw/zinc/42/49/29/417424929.db2.gz PYNYFFAFKSVQQV-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000415324940 417365076 /nfs/dbraw/zinc/36/50/76/417365076.db2.gz VREGKBDFINZGRO-AWEZNQCLSA-N 1 3 304.394 0.507 20 0 DCADHO C[C@H]([NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638211237 417377507 /nfs/dbraw/zinc/37/75/07/417377507.db2.gz OSRVIFUPTMCBSI-JTQLQIEISA-N 1 3 305.382 0.381 20 0 DCADHO COCCN1CCC([NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638444085 417461466 /nfs/dbraw/zinc/46/14/66/417461466.db2.gz XENOXDSVAFPHIT-UHFFFAOYSA-N 1 3 313.486 0.922 20 0 DCADHO NC(C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000638783629 417555986 /nfs/dbraw/zinc/55/59/86/417555986.db2.gz NBSLKFPWGLXXRE-WDEREUQCSA-N 1 3 309.332 0.493 20 0 DCADHO NC(C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000638783628 417556798 /nfs/dbraw/zinc/55/67/98/417556798.db2.gz NBSLKFPWGLXXRE-QWRGUYRKSA-N 1 3 309.332 0.493 20 0 DCADHO O=C(CC1CC[NH2+]CC1)Nc1ccc(N2CCNCC2)cn1 ZINC000296575862 226012095 /nfs/dbraw/zinc/01/20/95/226012095.db2.gz WJJXKCNEJKHUST-UHFFFAOYSA-N 1 3 303.410 0.819 20 0 DCADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914037 417583096 /nfs/dbraw/zinc/58/30/96/417583096.db2.gz IWEPSCUGSRZMCM-PMPSAXMXSA-N 1 3 300.406 0.866 20 0 DCADHO COC[C@]1(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC[NH2+]C1 ZINC000638978037 417593381 /nfs/dbraw/zinc/59/33/81/417593381.db2.gz RYZRZGADNLIJGY-INIZCTEOSA-N 1 3 321.425 0.714 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638985629 417595968 /nfs/dbraw/zinc/59/59/68/417595968.db2.gz MLWDWXSWSVDWHV-HUUCEWRRSA-N 1 3 315.421 0.960 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC2(C[NH3+])CCCCC2)CC1=O ZINC000638997624 417601571 /nfs/dbraw/zinc/60/15/71/417601571.db2.gz VSGLHAYLJBGKMU-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000644559367 417618211 /nfs/dbraw/zinc/61/82/11/417618211.db2.gz JJLZUWXCSWHVHN-MSOLQXFVSA-N 1 3 320.481 0.315 20 0 DCADHO CN1CCN(C)[C@H](CNC[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644559367 417618213 /nfs/dbraw/zinc/61/82/13/417618213.db2.gz JJLZUWXCSWHVHN-MSOLQXFVSA-N 1 3 320.481 0.315 20 0 DCADHO CN1CCN(C)[C@H](CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644559367 417618218 /nfs/dbraw/zinc/61/82/18/417618218.db2.gz JJLZUWXCSWHVHN-MSOLQXFVSA-N 1 3 320.481 0.315 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000644639754 417636336 /nfs/dbraw/zinc/63/63/36/417636336.db2.gz XTYPVIZFRBENQD-LSDHHAIUSA-N 1 3 317.474 0.014 20 0 DCADHO CC(C)(CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CCOCC1 ZINC000639330927 417660723 /nfs/dbraw/zinc/66/07/23/417660723.db2.gz OZIOVZMFBBSBKR-INIZCTEOSA-N 1 3 311.470 0.628 20 0 DCADHO CC(C)(CN1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CCOCC1 ZINC000639330927 417660726 /nfs/dbraw/zinc/66/07/26/417660726.db2.gz OZIOVZMFBBSBKR-INIZCTEOSA-N 1 3 311.470 0.628 20 0 DCADHO CC(C)(C[NH+]1CCC(N2CC[C@H](O)C2)CC1)N1CCOCC1 ZINC000639330927 417660729 /nfs/dbraw/zinc/66/07/29/417660729.db2.gz OZIOVZMFBBSBKR-INIZCTEOSA-N 1 3 311.470 0.628 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CC(N)=O)CC2)CC1 ZINC000577121223 417665607 /nfs/dbraw/zinc/66/56/07/417665607.db2.gz AXMSLSQBAAUINR-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645306070 417728240 /nfs/dbraw/zinc/72/82/40/417728240.db2.gz ITORNCISWVWOBD-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CCCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645306070 417728241 /nfs/dbraw/zinc/72/82/41/417728241.db2.gz ITORNCISWVWOBD-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000662621492 417826270 /nfs/dbraw/zinc/82/62/70/417826270.db2.gz IBNCUOFCKXTZLF-OLZOCXBDSA-N 1 3 320.441 0.805 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccnc(CN)c3)C2)CC1 ZINC000645977473 417837490 /nfs/dbraw/zinc/83/74/90/417837490.db2.gz ATPVIIAYOSNDAV-AWEZNQCLSA-N 1 3 317.437 0.439 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000646012202 417846977 /nfs/dbraw/zinc/84/69/77/417846977.db2.gz IIUBDJGDCCMREC-CYBMUJFWSA-N 1 3 320.441 0.807 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646012554 417847032 /nfs/dbraw/zinc/84/70/32/417847032.db2.gz RTKBGYKBYZDPQA-UONOGXRCSA-N 1 3 320.441 0.634 20 0 DCADHO COCCN(C)CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652131176 417849327 /nfs/dbraw/zinc/84/93/27/417849327.db2.gz ORAMVUORMYJFKD-HOCLYGCPSA-N 1 3 312.458 0.725 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000640467314 417850399 /nfs/dbraw/zinc/85/03/99/417850399.db2.gz PGDSENOEKFTYHL-CQSZACIVSA-N 1 3 309.458 0.289 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(N(C)C)nc1 ZINC000657573015 417874193 /nfs/dbraw/zinc/87/41/93/417874193.db2.gz HWAZQJZUNFKJMM-AWEZNQCLSA-N 1 3 308.474 0.904 20 0 DCADHO CN(C)C1(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000662739209 417878486 /nfs/dbraw/zinc/87/84/86/417878486.db2.gz DHPSPUBUVFOHFA-HOTGVXAUSA-N 1 3 317.433 0.566 20 0 DCADHO CNS(=O)(=O)CCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348469 417887598 /nfs/dbraw/zinc/88/75/98/417887598.db2.gz FIRXFLFHVXCFOJ-BFHYXJOUSA-N 1 3 319.471 0.144 20 0 DCADHO CCN1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662666433 417843564 /nfs/dbraw/zinc/84/35/64/417843564.db2.gz SHUOOMKECKYCTQ-AWEZNQCLSA-N 1 3 320.441 0.807 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)C1 ZINC000646002902 417846268 /nfs/dbraw/zinc/84/62/68/417846268.db2.gz JBMVBNJWWNHAIG-ZMSDIMECSA-N 1 3 306.454 0.224 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000663009592 417976765 /nfs/dbraw/zinc/97/67/65/417976765.db2.gz FWAXQRHGHPAOLJ-VBQJREDUSA-N 1 3 322.453 0.187 20 0 DCADHO N[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H]1c1ccccc1F ZINC000662814679 417914447 /nfs/dbraw/zinc/91/44/47/417914447.db2.gz FXRHZWKYTDLCGA-AYRXBEOTSA-N 1 3 307.369 0.443 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662846483 417922584 /nfs/dbraw/zinc/92/25/84/417922584.db2.gz PVVSFRAXPXGTQU-ZBFHGGJFSA-N 1 3 324.469 0.324 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CN1C1CC1 ZINC000631708837 417923983 /nfs/dbraw/zinc/92/39/83/417923983.db2.gz HFPSFOQPCBKZRD-TZMCWYRMSA-N 1 3 305.426 0.800 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858617 417927954 /nfs/dbraw/zinc/92/79/54/417927954.db2.gz GXXFENZSKFOSCF-JQFCIGGWSA-N 1 3 317.433 0.867 20 0 DCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652612518 417931887 /nfs/dbraw/zinc/93/18/87/417931887.db2.gz UOFXSJDBMXCDRW-AAEUAGOBSA-N 1 3 312.393 0.608 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000652612551 417932449 /nfs/dbraw/zinc/93/24/49/417932449.db2.gz VQCGRPPXKFVEGM-MGPQQGTHSA-N 1 3 320.441 0.954 20 0 DCADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000631759419 417935436 /nfs/dbraw/zinc/93/54/36/417935436.db2.gz YXCRCTYCDOCXRZ-UKRRQHHQSA-N 1 3 307.442 0.903 20 0 DCADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000631759419 417935439 /nfs/dbraw/zinc/93/54/39/417935439.db2.gz YXCRCTYCDOCXRZ-UKRRQHHQSA-N 1 3 307.442 0.903 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662878629 417937338 /nfs/dbraw/zinc/93/73/38/417937338.db2.gz XBUQBKSWINLOGT-QLFBSQMISA-N 1 3 305.378 0.650 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652687189 417944378 /nfs/dbraw/zinc/94/43/78/417944378.db2.gz YIWZKBNAFMZWOX-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000652695823 417945933 /nfs/dbraw/zinc/94/59/33/417945933.db2.gz BEIXFEKZIHZEKF-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000636458696 417950996 /nfs/dbraw/zinc/95/09/96/417950996.db2.gz MXWPTBSAKUZJIO-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662921663 417952617 /nfs/dbraw/zinc/95/26/17/417952617.db2.gz NACBKNMREVSSLI-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000662929174 417954507 /nfs/dbraw/zinc/95/45/07/417954507.db2.gz AVEWLGUQEJPFAS-ZDUSSCGKSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732854 417959345 /nfs/dbraw/zinc/95/93/45/417959345.db2.gz UOXYRTKOXBLWKN-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H](CN)C(F)(F)F ZINC000662985484 417972494 /nfs/dbraw/zinc/97/24/94/417972494.db2.gz VPPJEAVGIMCNBO-XCBNKYQSSA-N 1 3 305.304 0.448 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653047749 418016886 /nfs/dbraw/zinc/01/68/86/418016886.db2.gz PWLXSFZZUJBBCR-LSDHHAIUSA-N 1 3 315.421 0.960 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCN1CCC(O)CC1 ZINC000647522999 418018030 /nfs/dbraw/zinc/01/80/30/418018030.db2.gz AWRIZDRAVAUGGC-SFHVURJKSA-N 1 3 321.465 0.526 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCN1CCC(O)CC1 ZINC000647522999 418018033 /nfs/dbraw/zinc/01/80/33/418018033.db2.gz AWRIZDRAVAUGGC-SFHVURJKSA-N 1 3 321.465 0.526 20 0 DCADHO O=C(c1cccn1C1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC000663491542 418026020 /nfs/dbraw/zinc/02/60/20/418026020.db2.gz INJACKLRHLENIC-UHFFFAOYSA-N 1 3 304.394 0.227 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653115170 418028899 /nfs/dbraw/zinc/02/88/99/418028899.db2.gz FXPLRBGDWNDRPA-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653115171 418029033 /nfs/dbraw/zinc/02/90/33/418029033.db2.gz FXPLRBGDWNDRPA-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000653119632 418031649 /nfs/dbraw/zinc/03/16/49/418031649.db2.gz QJTBDICJHXOSKV-HOCLYGCPSA-N 1 3 306.454 0.902 20 0 DCADHO CC(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)S(C)(=O)=O ZINC000658956844 418041412 /nfs/dbraw/zinc/04/14/12/418041412.db2.gz ATQUYJCCMHBSGW-WCQYABFASA-N 1 3 302.440 0.658 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659523460 418110504 /nfs/dbraw/zinc/11/05/04/418110504.db2.gz LZDJVRVUZNVETK-ZDUSSCGKSA-N 1 3 315.462 0.165 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000659542176 418115404 /nfs/dbraw/zinc/11/54/04/418115404.db2.gz YPAOYYJBIJUYCY-YUELXQCFSA-N 1 3 310.442 0.809 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCOC1 ZINC000663764524 418054439 /nfs/dbraw/zinc/05/44/39/418054439.db2.gz VBBWBVRWVAMDND-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCOC1 ZINC000663764524 418054442 /nfs/dbraw/zinc/05/44/42/418054442.db2.gz VBBWBVRWVAMDND-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN1CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000663824695 418060051 /nfs/dbraw/zinc/06/00/51/418060051.db2.gz FMWKUCOKECOWRK-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000659103699 418060840 /nfs/dbraw/zinc/06/08/40/418060840.db2.gz UVINBIUIIYGSLI-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO Cn1c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000647977162 418082802 /nfs/dbraw/zinc/08/28/02/418082802.db2.gz YSTUQIQLVZYKBX-KBPBESRZSA-N 1 3 320.437 0.296 20 0 DCADHO CC1(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CNC1 ZINC000659354448 418085494 /nfs/dbraw/zinc/08/54/94/418085494.db2.gz OPARJSSLKKGPPK-HUUCEWRRSA-N 1 3 321.396 0.766 20 0 DCADHO CN(CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000647994595 418085713 /nfs/dbraw/zinc/08/57/13/418085713.db2.gz RGEQELRPSHLLJO-HOTGVXAUSA-N 1 3 320.437 0.435 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CCO1 ZINC000664127512 418089248 /nfs/dbraw/zinc/08/92/48/418089248.db2.gz HVQRKDIMVRELMT-GDBMZVCRSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCN1C ZINC000664215290 418099619 /nfs/dbraw/zinc/09/96/19/418099619.db2.gz ALJSXOKYQODRRD-YCPHGPKFSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCN1C ZINC000664215290 418099621 /nfs/dbraw/zinc/09/96/21/418099621.db2.gz ALJSXOKYQODRRD-YCPHGPKFSA-N 1 3 324.469 0.710 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000659459094 418100788 /nfs/dbraw/zinc/10/07/88/418100788.db2.gz IHSMYQDYLKEKAW-CYBMUJFWSA-N 1 3 304.438 0.993 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N(C)CC(C)(C)[NH3+])ccn1 ZINC000659474208 418102229 /nfs/dbraw/zinc/10/22/29/418102229.db2.gz AXBWSDWRLHYDCS-UHFFFAOYSA-N 1 3 323.441 0.901 20 0 DCADHO C[N@H+](CCCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC1 ZINC000659502083 418106947 /nfs/dbraw/zinc/10/69/47/418106947.db2.gz ANMVJECDHQXIRQ-UHFFFAOYSA-N 1 3 322.413 0.315 20 0 DCADHO C[N@@H+](CCCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC1 ZINC000659502083 418106950 /nfs/dbraw/zinc/10/69/50/418106950.db2.gz ANMVJECDHQXIRQ-UHFFFAOYSA-N 1 3 322.413 0.315 20 0 DCADHO C[NH2+]CCCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659505030 418107316 /nfs/dbraw/zinc/10/73/16/418107316.db2.gz FUFLDKKPINDQGG-MRXNPFEDSA-N 1 3 320.437 0.662 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630476 418131198 /nfs/dbraw/zinc/13/11/98/418131198.db2.gz JFQJGQFCTSLSPD-UHFFFAOYSA-N 1 3 310.402 0.124 20 0 DCADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659630858 418133461 /nfs/dbraw/zinc/13/34/61/418133461.db2.gz NRRVMKYBTZNQBZ-UHFFFAOYSA-N 1 3 322.413 0.267 20 0 DCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632021 418134093 /nfs/dbraw/zinc/13/40/93/418134093.db2.gz NTTOZZWLAFRZIQ-LLVKDONJSA-N 1 3 322.413 0.124 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632021 418134097 /nfs/dbraw/zinc/13/40/97/418134097.db2.gz NTTOZZWLAFRZIQ-LLVKDONJSA-N 1 3 322.413 0.124 20 0 DCADHO CO[C@H](C)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664729293 418148383 /nfs/dbraw/zinc/14/83/83/418148383.db2.gz YWZNIZZIRPLRTH-MELADBBJSA-N 1 3 302.463 0.981 20 0 DCADHO CO[C@H](C)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664729293 418148386 /nfs/dbraw/zinc/14/83/86/418148386.db2.gz YWZNIZZIRPLRTH-MELADBBJSA-N 1 3 302.463 0.981 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](CN)C1 ZINC000659701797 418152751 /nfs/dbraw/zinc/15/27/51/418152751.db2.gz JLVZMSSXJCIMSL-TUVASFSCSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](CN)C1 ZINC000659701797 418152753 /nfs/dbraw/zinc/15/27/53/418152753.db2.gz JLVZMSSXJCIMSL-TUVASFSCSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C1=CCN(C)CC1 ZINC000659701728 418152904 /nfs/dbraw/zinc/15/29/04/418152904.db2.gz IOIJZEXILMBQEO-NFAWXSAZSA-N 1 3 322.453 0.339 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648782383 418156301 /nfs/dbraw/zinc/15/63/01/418156301.db2.gz FEHJDBNLQMRTBE-ARFHVFGLSA-N 1 3 310.486 0.716 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648782383 418156305 /nfs/dbraw/zinc/15/63/05/418156305.db2.gz FEHJDBNLQMRTBE-ARFHVFGLSA-N 1 3 310.486 0.716 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1=CCCOC1 ZINC000664904795 418159680 /nfs/dbraw/zinc/15/96/80/418159680.db2.gz YRJRZBUKXDIKHQ-AWEZNQCLSA-N 1 3 312.458 0.904 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1=CCCOC1 ZINC000664904795 418159684 /nfs/dbraw/zinc/15/96/84/418159684.db2.gz YRJRZBUKXDIKHQ-AWEZNQCLSA-N 1 3 312.458 0.904 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCC1 ZINC000659733776 418168514 /nfs/dbraw/zinc/16/85/14/418168514.db2.gz HQPQOPAGCYMKMI-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659738975 418170394 /nfs/dbraw/zinc/17/03/94/418170394.db2.gz BWKFEDRCZNYOIQ-YRFCHQJDSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCC2(CC1)CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CCO2 ZINC000654664736 418174973 /nfs/dbraw/zinc/17/49/73/418174973.db2.gz PNMFELBKEDGHDQ-GASCZTMLSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000654773892 418186681 /nfs/dbraw/zinc/18/66/81/418186681.db2.gz LVYVVWYQTFMOOQ-RDJZCZTQSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000654773892 418186683 /nfs/dbraw/zinc/18/66/83/418186683.db2.gz LVYVVWYQTFMOOQ-RDJZCZTQSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN(CC(C)(C)O)C1CCOCC1 ZINC000659990176 418212872 /nfs/dbraw/zinc/21/28/72/418212872.db2.gz DTTSKNUEXQAWAA-OAHLLOKOSA-N 1 3 302.459 0.939 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN(CC(C)(C)O)C1CCOCC1 ZINC000659990176 418212876 /nfs/dbraw/zinc/21/28/76/418212876.db2.gz DTTSKNUEXQAWAA-OAHLLOKOSA-N 1 3 302.459 0.939 20 0 DCADHO COCCN1CCC(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649304772 418229662 /nfs/dbraw/zinc/22/96/62/418229662.db2.gz FZLXVGIZBNWMJS-LBPRGKRZSA-N 1 3 305.369 0.458 20 0 DCADHO CC(C)C[NH2+]C1(CO)CCN(C[C@H](O)CN(C)C2CC2)CC1 ZINC000660697572 418281795 /nfs/dbraw/zinc/28/17/95/418281795.db2.gz IIAWSFMMLUYTPV-MRXNPFEDSA-N 1 3 313.486 0.514 20 0 DCADHO CN1CCN(C)[C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655710921 418289653 /nfs/dbraw/zinc/28/96/53/418289653.db2.gz DDMKOSLPVFDARF-IRXDYDNUSA-N 1 3 310.486 0.465 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)C1 ZINC000655927120 418301903 /nfs/dbraw/zinc/30/19/03/418301903.db2.gz GIRWAIKIQLCLSM-LPEHRKFASA-N 1 3 312.336 0.237 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655961402 418308579 /nfs/dbraw/zinc/30/85/79/418308579.db2.gz QHDWRSBQMARSQZ-LSDHHAIUSA-N 1 3 309.458 0.208 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022952 418319501 /nfs/dbraw/zinc/31/95/01/418319501.db2.gz PMIBXRPIKDONHS-ILXRZTDVSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000660428527 418257715 /nfs/dbraw/zinc/25/77/15/418257715.db2.gz DZYXCNZJQTUDCQ-NVXWUHKLSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000660428527 418257718 /nfs/dbraw/zinc/25/77/18/418257718.db2.gz DZYXCNZJQTUDCQ-NVXWUHKLSA-N 1 3 313.486 0.873 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655467862 418266104 /nfs/dbraw/zinc/26/61/04/418266104.db2.gz OAYWPIUHRYNNNE-UXLLHSPISA-N 1 3 309.454 0.945 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000655494301 418269026 /nfs/dbraw/zinc/26/90/26/418269026.db2.gz HQVAXYZUUJCNKG-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000655577384 418277713 /nfs/dbraw/zinc/27/77/13/418277713.db2.gz VFHMQPKFIDKBMW-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000655577384 418277715 /nfs/dbraw/zinc/27/77/15/418277715.db2.gz VFHMQPKFIDKBMW-JKSUJKDBSA-N 1 3 324.469 0.617 20 0 DCADHO CN1CCC[C@H](N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000662265545 418395472 /nfs/dbraw/zinc/39/54/72/418395472.db2.gz QTWHUILZOJMTLP-ZNMIVQPWSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@H](N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000662265542 418395553 /nfs/dbraw/zinc/39/55/53/418395553.db2.gz QTWHUILZOJMTLP-ILXRZTDVSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662450751 418410925 /nfs/dbraw/zinc/41/09/25/418410925.db2.gz DYLVDTCLYVCTJG-CHWSQXEVSA-N 1 3 303.410 0.701 20 0 DCADHO [NH3+]CCOCCN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662299157 418399779 /nfs/dbraw/zinc/39/97/79/418399779.db2.gz UKIPRCPMWGWNPS-GASCZTMLSA-N 1 3 317.389 0.079 20 0 DCADHO c1c([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1 ZINC000662336496 418401258 /nfs/dbraw/zinc/40/12/58/418401258.db2.gz YCXRPOFVMUCGFB-HUUCEWRRSA-N 1 3 318.469 0.608 20 0 DCADHO CC1CCN(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000354602327 261242963 /nfs/dbraw/zinc/24/29/63/261242963.db2.gz ZDSALESCJZSTMW-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354747729 261266759 /nfs/dbraw/zinc/26/67/59/261266759.db2.gz KIPLZLREIAKLIK-ILXRZTDVSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000355276017 261324800 /nfs/dbraw/zinc/32/48/00/261324800.db2.gz SLCOHOCQUDOKMC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC1CCN(CCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362565919 262047137 /nfs/dbraw/zinc/04/71/37/262047137.db2.gz VJVBBUFUYOWFQG-CYBMUJFWSA-N 1 3 305.426 0.948 20 0 DCADHO O=C(NCCCN1CCC(O)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362565094 262047339 /nfs/dbraw/zinc/04/73/39/262047339.db2.gz QVWFBIRFNOGNCE-GFCCVEGCSA-N 1 3 321.425 0.063 20 0 DCADHO CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000362565829 262047507 /nfs/dbraw/zinc/04/75/07/262047507.db2.gz CZGRHTQUHAJONU-WCQYABFASA-N 1 3 303.410 0.795 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000362718021 262065250 /nfs/dbraw/zinc/06/52/50/262065250.db2.gz YQDAFIXHZGBFFQ-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000362718021 262065252 /nfs/dbraw/zinc/06/52/52/262065252.db2.gz YQDAFIXHZGBFFQ-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000362764144 262069405 /nfs/dbraw/zinc/06/94/05/262069405.db2.gz ZGQQUPRZBPZRAZ-HIFRSBDPSA-N 1 3 324.469 0.101 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000362764144 262069407 /nfs/dbraw/zinc/06/94/07/262069407.db2.gz ZGQQUPRZBPZRAZ-HIFRSBDPSA-N 1 3 324.469 0.101 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000362868190 262083079 /nfs/dbraw/zinc/08/30/79/262083079.db2.gz OBXXPQIXLBMWIV-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N(C)C ZINC000363220499 262106857 /nfs/dbraw/zinc/10/68/57/262106857.db2.gz DGSUIDSAJYOSLK-JKSUJKDBSA-N 1 3 310.486 0.811 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N(C)C ZINC000363220499 262106859 /nfs/dbraw/zinc/10/68/59/262106859.db2.gz DGSUIDSAJYOSLK-JKSUJKDBSA-N 1 3 310.486 0.811 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363282748 262110486 /nfs/dbraw/zinc/11/04/86/262110486.db2.gz ODDXSIYPMJUKLD-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363282748 262110488 /nfs/dbraw/zinc/11/04/88/262110488.db2.gz ODDXSIYPMJUKLD-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO [NH3+]CCN(CCO)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416834444 262240788 /nfs/dbraw/zinc/24/07/88/262240788.db2.gz DJVVIOBJWJKKNL-OAHLLOKOSA-N 1 3 306.410 0.224 20 0 DCADHO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000417017189 262243135 /nfs/dbraw/zinc/24/31/35/262243135.db2.gz OOASDOUWAYCGBL-GJZGRUSLSA-N 1 3 312.458 0.785 20 0 DCADHO CN(C)CCN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000416985045 262243459 /nfs/dbraw/zinc/24/34/59/262243459.db2.gz YJJNYGOPKYCNBQ-CQSZACIVSA-N 1 3 311.474 0.454 20 0 DCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417048276 262244393 /nfs/dbraw/zinc/24/43/93/262244393.db2.gz RJUUHUZFKHEPJE-LSDHHAIUSA-N 1 3 312.458 0.786 20 0 DCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417048276 262244395 /nfs/dbraw/zinc/24/43/95/262244395.db2.gz RJUUHUZFKHEPJE-LSDHHAIUSA-N 1 3 312.458 0.786 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NC[C@H](N)c1ccccc1 ZINC000417094120 262245920 /nfs/dbraw/zinc/24/59/20/262245920.db2.gz PVGGANSXPDWNCO-HNNXBMFYSA-N 1 3 308.426 0.954 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H](N)c1ccccc1 ZINC000417094120 262245922 /nfs/dbraw/zinc/24/59/22/262245922.db2.gz PVGGANSXPDWNCO-HNNXBMFYSA-N 1 3 308.426 0.954 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000417099419 262246332 /nfs/dbraw/zinc/24/63/32/262246332.db2.gz ZXKHUMXSIWSZCO-KGLIPLIRSA-N 1 3 300.447 0.866 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NC1CCN(CCOC)CC1 ZINC000417300513 262249332 /nfs/dbraw/zinc/24/93/32/262249332.db2.gz UHOVIPMHJQVMHO-CQSZACIVSA-N 1 3 300.447 0.914 20 0 DCADHO C[NH2+]CCNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417504074 262253835 /nfs/dbraw/zinc/25/38/35/262253835.db2.gz FGLIGSBILVHKSB-UHFFFAOYSA-N 1 3 308.426 0.688 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000417551182 262254835 /nfs/dbraw/zinc/25/48/35/262254835.db2.gz YREQCXTVOPCRED-LBPRGKRZSA-N 1 3 300.447 0.770 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000417747155 262260179 /nfs/dbraw/zinc/26/01/79/262260179.db2.gz HACGBTWQXXFYKT-GJZGRUSLSA-N 1 3 313.490 0.543 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417752454 262260866 /nfs/dbraw/zinc/26/08/66/262260866.db2.gz MTLCCGNYPDDVNC-UONOGXRCSA-N 1 3 300.447 0.771 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000417814676 262262737 /nfs/dbraw/zinc/26/27/37/262262737.db2.gz SEGVMWRNGJHPEB-ZDUSSCGKSA-N 1 3 300.447 0.770 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCSC1 ZINC000417823794 262262755 /nfs/dbraw/zinc/26/27/55/262262755.db2.gz KFQASBSCAOHMPM-GUTXKFCHSA-N 1 3 312.483 0.675 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NC(C)(C)C[NH3+])ccn1 ZINC000417957683 262266126 /nfs/dbraw/zinc/26/61/26/262266126.db2.gz UUPBXHUHNZMXKN-UHFFFAOYSA-N 1 3 309.414 0.559 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417957651 262266364 /nfs/dbraw/zinc/26/63/64/262266364.db2.gz UTRWAWSQIJPDOG-CYBMUJFWSA-N 1 3 323.441 0.677 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417992174 262267485 /nfs/dbraw/zinc/26/74/85/262267485.db2.gz MBXGWYSUVSMOND-HOTGVXAUSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078194 262269179 /nfs/dbraw/zinc/26/91/79/262269179.db2.gz VJCNQBYEXOBXRX-ZBFHGGJFSA-N 1 3 320.437 0.924 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418160388 262271554 /nfs/dbraw/zinc/27/15/54/262271554.db2.gz DKGDJSHODVDSBA-CQSZACIVSA-N 1 3 313.490 0.685 20 0 DCADHO CC[NH2+]CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418314724 262274112 /nfs/dbraw/zinc/27/41/12/262274112.db2.gz FWGIDJCKIVTLOP-KRWDZBQOSA-N 1 3 320.437 0.532 20 0 DCADHO [NH3+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418310486 262274167 /nfs/dbraw/zinc/27/41/67/262274167.db2.gz YJCNOJCMYKZNGF-HUUCEWRRSA-N 1 3 306.410 0.127 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418474757 262278678 /nfs/dbraw/zinc/27/86/78/262278678.db2.gz UZHVFUHEQRJQCN-CQSZACIVSA-N 1 3 314.474 0.896 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418667582 262285407 /nfs/dbraw/zinc/28/54/07/262285407.db2.gz HHDTYPFHJWSOCE-WBVHZDCISA-N 1 3 320.437 0.832 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000418828567 262291745 /nfs/dbraw/zinc/29/17/45/262291745.db2.gz GABCAMRNJZWPSF-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418846963 262292388 /nfs/dbraw/zinc/29/23/88/262292388.db2.gz ZJXQVHFGMFQZAL-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418925170 262298686 /nfs/dbraw/zinc/29/86/86/262298686.db2.gz QDIJXDDJZMRBFU-XJKCOSOUSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1C ZINC000418970079 262301255 /nfs/dbraw/zinc/30/12/55/262301255.db2.gz VXUIOCLDEHMHDE-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419016836 262305080 /nfs/dbraw/zinc/30/50/80/262305080.db2.gz AAFSFMMAWALUSB-QVHKTLOISA-N 1 3 324.469 0.323 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419078834 262307196 /nfs/dbraw/zinc/30/71/96/262307196.db2.gz LSVSINXOJMMBKJ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419079687 262307309 /nfs/dbraw/zinc/30/73/09/262307309.db2.gz NHJZNMGBIPMBAI-AWEZNQCLSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419163726 262315069 /nfs/dbraw/zinc/31/50/69/262315069.db2.gz WXSYIOVTLJBNDO-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419221511 262320321 /nfs/dbraw/zinc/32/03/21/262320321.db2.gz ATVFCQWADBZKEK-GXTWGEPZSA-N 1 3 310.442 0.078 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419228306 262321262 /nfs/dbraw/zinc/32/12/62/262321262.db2.gz MCDYDNFGZYAWHG-HUUCEWRRSA-N 1 3 322.453 0.235 20 0 DCADHO C[N@H+](CCCNC(=O)C(=O)N[C@H](CN)C1CC1)C1CCCCC1 ZINC000419410969 262331461 /nfs/dbraw/zinc/33/14/61/262331461.db2.gz PHGDAIHRKQPHAK-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+](CCCNC(=O)C(=O)N[C@H](CN)C1CC1)C1CCCCC1 ZINC000419410969 262331462 /nfs/dbraw/zinc/33/14/62/262331462.db2.gz PHGDAIHRKQPHAK-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419419279 262332592 /nfs/dbraw/zinc/33/25/92/262332592.db2.gz IXWGIAAYFUXOQF-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419425829 262332948 /nfs/dbraw/zinc/33/29/48/262332948.db2.gz PTLJFXMDFPPJBV-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419429396 262333112 /nfs/dbraw/zinc/33/31/12/262333112.db2.gz UQFNTNLMPJCZKU-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419430516 262333330 /nfs/dbraw/zinc/33/33/30/262333330.db2.gz VXVCZKKJVNCYFU-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419487070 262334340 /nfs/dbraw/zinc/33/43/40/262334340.db2.gz YMUKBAUDEWARDB-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419487070 262334341 /nfs/dbraw/zinc/33/43/41/262334341.db2.gz YMUKBAUDEWARDB-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419501786 262335903 /nfs/dbraw/zinc/33/59/03/262335903.db2.gz BXGKUWVLNJZBDU-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1CN ZINC000419648736 262344143 /nfs/dbraw/zinc/34/41/43/262344143.db2.gz MUFKSZGLDRTCFL-IPYPFGDCSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1CN ZINC000419648736 262344144 /nfs/dbraw/zinc/34/41/44/262344144.db2.gz MUFKSZGLDRTCFL-IPYPFGDCSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419843318 262348934 /nfs/dbraw/zinc/34/89/34/262348934.db2.gz MNFNHVWSZRMSPY-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCC[C@@H](C)C1 ZINC000419875972 262351099 /nfs/dbraw/zinc/35/10/99/262351099.db2.gz WZMLCJYRWMPFIH-BZPMIXESSA-N 1 3 310.442 0.077 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419924225 262353096 /nfs/dbraw/zinc/35/30/96/262353096.db2.gz CCCYEIYYZYKNRT-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+])o1 ZINC000419996890 262356692 /nfs/dbraw/zinc/35/66/92/262356692.db2.gz OBUIHTPVCQQNCA-LBPRGKRZSA-N 1 3 324.425 0.332 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420061886 262358217 /nfs/dbraw/zinc/35/82/17/262358217.db2.gz BJZXZORIFTUZGA-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000420102017 262361366 /nfs/dbraw/zinc/36/13/66/262361366.db2.gz MNOWANKFXABABP-BBRMVZONSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000420113420 262361665 /nfs/dbraw/zinc/36/16/65/262361665.db2.gz CESGNNCTJQJULE-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCNc1nc(N[C@@H]2CC[C@H](C[NH3+])C2)nc(NC(C)(C)C)n1 ZINC000420278696 262369267 /nfs/dbraw/zinc/36/92/67/262369267.db2.gz RUFRXQQGNCIUER-WDEREUQCSA-N 1 3 307.446 0.897 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C[NH3+] ZINC000420399849 262373186 /nfs/dbraw/zinc/37/31/86/262373186.db2.gz IHZSUVVKNQCNLS-KGLIPLIRSA-N 1 3 308.470 0.646 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000422109472 262396347 /nfs/dbraw/zinc/39/63/47/262396347.db2.gz VPBBEMDRNQSZEG-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO Cc1cc(CN(C)C)cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000423784477 262462510 /nfs/dbraw/zinc/46/25/10/262462510.db2.gz MCAIXMNQUIGRHT-HNNXBMFYSA-N 1 3 318.421 0.863 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(CC)CC ZINC000428982268 262597939 /nfs/dbraw/zinc/59/79/39/262597939.db2.gz ZNWOYJCGKGKMNC-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO [NH3+]C1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCCCC1 ZINC000418297504 271242206 /nfs/dbraw/zinc/24/22/06/271242206.db2.gz OFCOZGHZXAOXNA-AWEZNQCLSA-N 1 3 312.458 0.794 20 0 DCADHO COCCNCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418508833 271247647 /nfs/dbraw/zinc/24/76/47/271247647.db2.gz NJLJIZWUMHWFSG-HUUCEWRRSA-N 1 3 312.458 0.786 20 0 DCADHO COCC[NH2+]CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000418506944 271247668 /nfs/dbraw/zinc/24/76/68/271247668.db2.gz JSZQVIFIPWKHHP-SOUVJXGZSA-N 1 3 312.458 0.594 20 0 DCADHO COCCNCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418508832 271247773 /nfs/dbraw/zinc/24/77/73/271247773.db2.gz NJLJIZWUMHWFSG-GJZGRUSLSA-N 1 3 312.458 0.786 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418734443 271253910 /nfs/dbraw/zinc/25/39/10/271253910.db2.gz SFLNSQBZVUQNBH-KBPBESRZSA-N 1 3 311.474 0.534 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419029193 271267053 /nfs/dbraw/zinc/26/70/53/271267053.db2.gz RDXJMIPHUAEIJR-RDBSUJKOSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419031350 271267153 /nfs/dbraw/zinc/26/71/53/271267153.db2.gz VEWFVZPEONJGQU-XGUBFFRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419029745 271268088 /nfs/dbraw/zinc/26/80/88/271268088.db2.gz RZKUMJYZPUIJKX-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419029190 271268278 /nfs/dbraw/zinc/26/82/78/271268278.db2.gz RDXJMIPHUAEIJR-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419033214 271269157 /nfs/dbraw/zinc/26/91/57/271269157.db2.gz YFHQEERLCUWDBP-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419032887 271269323 /nfs/dbraw/zinc/26/93/23/271269323.db2.gz XNZYGJMOEFKOMC-MGPQQGTHSA-N 1 3 312.458 0.323 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419137686 271273071 /nfs/dbraw/zinc/27/30/71/271273071.db2.gz PKHAAGXSAZEAKZ-MGPQQGTHSA-N 1 3 310.442 0.315 20 0 DCADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCCN)c1 ZINC000419266299 271280949 /nfs/dbraw/zinc/28/09/49/271280949.db2.gz GHBDJSUZRKMZBL-UHFFFAOYSA-N 1 3 306.410 0.220 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419401043 271288214 /nfs/dbraw/zinc/28/82/14/271288214.db2.gz AGUCBKJDXBVHKH-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419401043 271288218 /nfs/dbraw/zinc/28/82/18/271288218.db2.gz AGUCBKJDXBVHKH-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000419521587 271296103 /nfs/dbraw/zinc/29/61/03/271296103.db2.gz KLKAGHWNSQMMQW-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN(C(=O)C(=O)NCCN(CC)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000419520955 271297089 /nfs/dbraw/zinc/29/70/89/271297089.db2.gz JCDBAPGACSOUTI-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000419530746 271297758 /nfs/dbraw/zinc/29/77/58/271297758.db2.gz ZJPAWMYCLSXQSE-QEJZJMRPSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CN)C(C)(C)C[NH+](C)C ZINC000419537900 271301664 /nfs/dbraw/zinc/30/16/64/271301664.db2.gz DJVCSXHWXFZGIM-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419811499 271326610 /nfs/dbraw/zinc/32/66/10/271326610.db2.gz YMJQWIPMNINBEY-UHFFFAOYSA-N 1 3 310.442 0.318 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](CN)C2CC2)CCCCC1 ZINC000419815982 271328259 /nfs/dbraw/zinc/32/82/59/271328259.db2.gz LCJLYESLEZIVBT-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419910842 271344198 /nfs/dbraw/zinc/34/41/98/271344198.db2.gz QXQVCIMODVWTRD-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419933754 271345127 /nfs/dbraw/zinc/34/51/27/271345127.db2.gz FXFREICFLZWQCB-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420014926 271351682 /nfs/dbraw/zinc/35/16/82/271351682.db2.gz LFGMIWMHVNFTCM-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420117308 271357625 /nfs/dbraw/zinc/35/76/25/271357625.db2.gz HIMRJBUMVCSBRX-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422824572 271387120 /nfs/dbraw/zinc/38/71/20/271387120.db2.gz HJEMRWKCSOPLNJ-CVEARBPZSA-N 1 3 318.469 0.706 20 0 DCADHO C[NH+](C)CCOCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000471657486 272028883 /nfs/dbraw/zinc/02/88/83/272028883.db2.gz HWILUZYDIKXTQF-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO CCN(CCNC(=O)/C=C\C[NH+](C)C)C(=O)/C=C/CN(C)C ZINC000492669278 272140301 /nfs/dbraw/zinc/14/03/01/272140301.db2.gz LAZAUZDHYJGWRP-FKJILZIQSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)/C=C\CN(C)C)C(=O)/C=C/C[NH+](C)C ZINC000492669278 272140302 /nfs/dbraw/zinc/14/03/02/272140302.db2.gz LAZAUZDHYJGWRP-FKJILZIQSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](N)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000494656015 272227678 /nfs/dbraw/zinc/22/76/78/272227678.db2.gz SUFRHHRTGXEEEU-BZUAXINKSA-N 1 3 310.486 0.987 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494644099 272227926 /nfs/dbraw/zinc/22/79/26/272227926.db2.gz YOHHAYLIEKSCCQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCO)CC2)CC1 ZINC000495177664 272241040 /nfs/dbraw/zinc/24/10/40/272241040.db2.gz MZOVNZCSZSQDIK-UHFFFAOYSA-N 1 3 312.458 0.617 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)COC1CCOCC1 ZINC000531118955 287767679 /nfs/dbraw/zinc/76/76/79/287767679.db2.gz KTGISXCWLAJEDG-UHFFFAOYSA-N 1 3 301.431 0.134 20 0 DCADHO CO[C@@H]1CCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000538191317 287875840 /nfs/dbraw/zinc/87/58/40/287875840.db2.gz NLZVRKGEIKCOPU-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351689040 276781291 /nfs/dbraw/zinc/78/12/91/276781291.db2.gz YVQDNADOQBRZTP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000288881779 277059157 /nfs/dbraw/zinc/05/91/57/277059157.db2.gz ZOBOWISARUAEFR-KBPBESRZSA-N 1 3 307.394 0.686 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCN[C@H]1CCC[C@@H]1C(=O)NC ZINC000348166262 277243181 /nfs/dbraw/zinc/24/31/81/277243181.db2.gz NXZSZWDWUALNRB-XGUBFFRZSA-N 1 3 324.469 0.385 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@@H]1NCCC[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000348166262 277243182 /nfs/dbraw/zinc/24/31/82/277243182.db2.gz NXZSZWDWUALNRB-XGUBFFRZSA-N 1 3 324.469 0.385 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237524329 279286923 /nfs/dbraw/zinc/28/69/23/279286923.db2.gz BICHJBIYKUIGEK-OAHLLOKOSA-N 1 3 304.438 0.910 20 0 DCADHO CCN1CCN(CCCC[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000341756533 279357019 /nfs/dbraw/zinc/35/70/19/279357019.db2.gz DXMLXYIVWLBGKS-HNNXBMFYSA-N 1 3 317.499 0.571 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N(C)C1CCOCC1 ZINC000548862028 288182397 /nfs/dbraw/zinc/18/23/97/288182397.db2.gz WRYGEGOUQVTRCL-UHFFFAOYSA-N 1 3 300.447 0.642 20 0 DCADHO CC(C)[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)N1CCN(C)CC1 ZINC000333919232 280248320 /nfs/dbraw/zinc/24/83/20/280248320.db2.gz OXCDAVKWZJOUQE-GJZGRUSLSA-N 1 3 311.474 0.310 20 0 DCADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000418867374 280277551 /nfs/dbraw/zinc/27/75/51/280277551.db2.gz OZHZXYIDUJVZQX-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000554491467 288323325 /nfs/dbraw/zinc/32/33/25/288323325.db2.gz DTCJUMCHDXXUHL-ZBFHGGJFSA-N 1 3 308.470 0.565 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000562821003 288601704 /nfs/dbraw/zinc/60/17/04/288601704.db2.gz VHGPXNLGLZWKDU-HNNXBMFYSA-N 1 3 318.421 0.274 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563206541 288648062 /nfs/dbraw/zinc/64/80/62/288648062.db2.gz LAUSMXPCZFOQIY-CQSZACIVSA-N 1 3 320.441 0.444 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)N1CCC(C)CC1 ZINC000563561446 288686169 /nfs/dbraw/zinc/68/61/69/288686169.db2.gz LHGLTXGKTNNARY-CABCVRRESA-N 1 3 311.474 0.310 20 0 DCADHO C[C@H](O)CN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@H]1C ZINC000279012976 290109979 /nfs/dbraw/zinc/10/99/79/290109979.db2.gz NTLDIBFINBEPPK-AGIUHOORSA-N 1 3 321.425 0.014 20 0 DCADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262550889 303757964 /nfs/dbraw/zinc/75/79/64/303757964.db2.gz TUBXXNCKICFVER-CHWSQXEVSA-N 1 3 313.467 0.187 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000570622383 332784355 /nfs/dbraw/zinc/78/43/55/332784355.db2.gz HQVGZQWXZLNGSA-UHFFFAOYSA-N 1 3 312.458 0.474 20 0 DCADHO CO[C@H](CN)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000570321887 332739141 /nfs/dbraw/zinc/73/91/41/332739141.db2.gz IBEXLFTZYNEQDV-NWANDNLSSA-N 1 3 309.385 0.609 20 0 DCADHO Cc1nnsc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000580272025 333047607 /nfs/dbraw/zinc/04/76/07/333047607.db2.gz MRJUZUOSYPHLBP-UHFFFAOYSA-N 1 3 314.459 0.481 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000583322588 337315689 /nfs/dbraw/zinc/31/56/89/337315689.db2.gz PIDHRECSIUBEBQ-QWHCGFSZSA-N 1 3 302.802 0.387 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000577868278 341945111 /nfs/dbraw/zinc/94/51/11/341945111.db2.gz FTIDPEYHWANFAT-CQSZACIVSA-N 1 3 316.405 0.217 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001567549807 1160416798 /nfs/dbraw/zinc/41/67/98/1160416798.db2.gz UALOFCJDPXTRHK-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001567549807 1160416800 /nfs/dbraw/zinc/41/68/00/1160416800.db2.gz UALOFCJDPXTRHK-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)CC1 ZINC000364853476 519683743 /nfs/dbraw/zinc/68/37/43/519683743.db2.gz YXRYDXKQDUMWQO-CVEARBPZSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332582889 528994245 /nfs/dbraw/zinc/99/42/45/528994245.db2.gz ISRFPACJKYTWPH-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000077825996 545677729 /nfs/dbraw/zinc/67/77/29/545677729.db2.gz YRAWEKRICVLUPJ-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000077825996 545677742 /nfs/dbraw/zinc/67/77/42/545677742.db2.gz YRAWEKRICVLUPJ-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO C[NH+](C)CCn1cc(NC(=O)[C@@H](N)Cc2ccccc2)cn1 ZINC000236992054 545953437 /nfs/dbraw/zinc/95/34/37/545953437.db2.gz YUDHCIWFAFYFAI-HNNXBMFYSA-N 1 3 301.394 0.953 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)c1ccc(C(=O)N[C@@H](C)C[NH+](C)C)o1 ZINC000286916721 546004099 /nfs/dbraw/zinc/00/40/99/546004099.db2.gz HYQTYHKEAIZQAH-RYUDHWBXSA-N 1 3 324.425 0.639 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000333534887 546084006 /nfs/dbraw/zinc/08/40/06/546084006.db2.gz ILGPEUUFOGDRDO-GXTWGEPZSA-N 1 3 303.410 0.818 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333655278 546087449 /nfs/dbraw/zinc/08/74/49/546087449.db2.gz KOCMCPYHHIKADG-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000342084876 546117467 /nfs/dbraw/zinc/11/74/67/546117467.db2.gz KGZNJLLXGFKRTM-XUJVJEKNSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000342084876 546117472 /nfs/dbraw/zinc/11/74/72/546117472.db2.gz KGZNJLLXGFKRTM-XUJVJEKNSA-N 1 3 322.453 0.184 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000342976505 546125008 /nfs/dbraw/zinc/12/50/08/546125008.db2.gz LVYOTQLLCBQIQO-ZIAGYGMSSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615272240 546315793 /nfs/dbraw/zinc/31/57/93/546315793.db2.gz BSDCMUNWAJWEIZ-HUUCEWRRSA-N 1 3 308.470 0.565 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615274081 546317374 /nfs/dbraw/zinc/31/73/74/546317374.db2.gz LLOIVHIVOQLTMG-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615274081 546317378 /nfs/dbraw/zinc/31/73/78/546317378.db2.gz LLOIVHIVOQLTMG-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CN2CCNCC2)C1 ZINC000638067737 546335645 /nfs/dbraw/zinc/33/56/45/546335645.db2.gz UJENCDNZUBPOHS-IYBDPMFKSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CN2CCNCC2)C1 ZINC000638067737 546335649 /nfs/dbraw/zinc/33/56/49/546335649.db2.gz UJENCDNZUBPOHS-IYBDPMFKSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C(C)(C)O ZINC000665758172 546393026 /nfs/dbraw/zinc/39/30/26/546393026.db2.gz AFMXPVYHHHCZSW-STQMWFEESA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C(C)(C)O ZINC000665758172 546393028 /nfs/dbraw/zinc/39/30/28/546393028.db2.gz AFMXPVYHHHCZSW-STQMWFEESA-N 1 3 302.463 0.717 20 0 DCADHO CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757676 546393513 /nfs/dbraw/zinc/39/35/13/546393513.db2.gz SANHXIHYWNXPKJ-GOEBONIOSA-N 1 3 316.490 0.965 20 0 DCADHO CC(C)[C@](C)(O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757676 546393515 /nfs/dbraw/zinc/39/35/15/546393515.db2.gz SANHXIHYWNXPKJ-GOEBONIOSA-N 1 3 316.490 0.965 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C)(O)CC1 ZINC000665759792 546394992 /nfs/dbraw/zinc/39/49/92/546394992.db2.gz PQWRQQGQVYLTIG-AWEZNQCLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C)(O)CC1 ZINC000665759792 546394996 /nfs/dbraw/zinc/39/49/96/546394996.db2.gz PQWRQQGQVYLTIG-AWEZNQCLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665761054 546395695 /nfs/dbraw/zinc/39/56/95/546395695.db2.gz VUPBZEVFNNOXNT-ZNMIVQPWSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](O)[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665761054 546395701 /nfs/dbraw/zinc/39/57/01/546395701.db2.gz VUPBZEVFNNOXNT-ZNMIVQPWSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](O)CC1 ZINC000665763653 546397443 /nfs/dbraw/zinc/39/74/43/546397443.db2.gz HZMXMVIBMBZDFE-GJZGRUSLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](O)CC1 ZINC000665763653 546397447 /nfs/dbraw/zinc/39/74/47/546397447.db2.gz HZMXMVIBMBZDFE-GJZGRUSLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000665761881 546397927 /nfs/dbraw/zinc/39/79/27/546397927.db2.gz SQINWIHRCWLGBV-IHRRRGAJSA-N 1 3 314.474 0.717 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000665761881 546397929 /nfs/dbraw/zinc/39/79/29/546397929.db2.gz SQINWIHRCWLGBV-IHRRRGAJSA-N 1 3 314.474 0.717 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000666919724 546527244 /nfs/dbraw/zinc/52/72/44/546527244.db2.gz CJKLPTAPFHBTAK-HOCLYGCPSA-N 1 3 324.469 0.711 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000666919724 546527247 /nfs/dbraw/zinc/52/72/47/546527247.db2.gz CJKLPTAPFHBTAK-HOCLYGCPSA-N 1 3 324.469 0.711 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CC(=O)N1 ZINC000667811562 546656580 /nfs/dbraw/zinc/65/65/80/546656580.db2.gz PKCJBCLBKSNQLE-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CC(=O)N1 ZINC000667811562 546656583 /nfs/dbraw/zinc/65/65/83/546656583.db2.gz PKCJBCLBKSNQLE-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000668584106 546793080 /nfs/dbraw/zinc/79/30/80/546793080.db2.gz AYNJVHUKEPXSSN-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000668584106 546793086 /nfs/dbraw/zinc/79/30/86/546793086.db2.gz AYNJVHUKEPXSSN-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000668752387 546840021 /nfs/dbraw/zinc/84/00/21/546840021.db2.gz KVSMEQUQCWWIMZ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)C1 ZINC000668777684 546844555 /nfs/dbraw/zinc/84/45/55/546844555.db2.gz UQRAKVSQNLLPFI-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000668777684 546844559 /nfs/dbraw/zinc/84/45/59/546844559.db2.gz UQRAKVSQNLLPFI-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CCN(CC)C1 ZINC000668794085 546847415 /nfs/dbraw/zinc/84/74/15/546847415.db2.gz AKPTURWEZKGALZ-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000668794852 546847989 /nfs/dbraw/zinc/84/79/89/546847989.db2.gz SFMFUGRHQHSAAG-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000668794852 546847991 /nfs/dbraw/zinc/84/79/91/546847991.db2.gz SFMFUGRHQHSAAG-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](CN)C1 ZINC000669503425 546981312 /nfs/dbraw/zinc/98/13/12/546981312.db2.gz NJKFKLHPOYVVQR-DKUMPPAJSA-N 1 3 309.458 0.286 20 0 DCADHO CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](CN)C1 ZINC000669503425 546981313 /nfs/dbraw/zinc/98/13/13/546981313.db2.gz NJKFKLHPOYVVQR-DKUMPPAJSA-N 1 3 309.458 0.286 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000669570975 546993086 /nfs/dbraw/zinc/99/30/86/546993086.db2.gz HCGOKBBAJQXNOG-GJZGRUSLSA-N 1 3 312.458 0.929 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000670783080 547128456 /nfs/dbraw/zinc/12/84/56/547128456.db2.gz PTCVBJHKHQDLOR-HNNXBMFYSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310163 547350179 /nfs/dbraw/zinc/35/01/79/547350179.db2.gz IVDQXJLUFNETHJ-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310163 547350181 /nfs/dbraw/zinc/35/01/81/547350181.db2.gz IVDQXJLUFNETHJ-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672594272 547385224 /nfs/dbraw/zinc/38/52/24/547385224.db2.gz SODFMKGOXBXWMD-OSFYFWSMSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000672594272 547385228 /nfs/dbraw/zinc/38/52/28/547385228.db2.gz SODFMKGOXBXWMD-OSFYFWSMSA-N 1 3 322.453 0.184 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000672708220 547396848 /nfs/dbraw/zinc/39/68/48/547396848.db2.gz KNLZVCIMOZYTQK-UHFFFAOYSA-N 1 3 323.485 0.502 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC23CCC[NH+]2CCC3)CC1=O ZINC000684850186 548654435 /nfs/dbraw/zinc/65/44/35/548654435.db2.gz VECXFIDKKWLZNA-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CNC2 ZINC000317230417 661034212 /nfs/dbraw/zinc/03/42/12/661034212.db2.gz CWODFOBZLXETOS-CVEARBPZSA-N 1 3 301.390 0.883 20 0 DCADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CNC2 ZINC000317230417 661034213 /nfs/dbraw/zinc/03/42/13/661034213.db2.gz CWODFOBZLXETOS-CVEARBPZSA-N 1 3 301.390 0.883 20 0 DCADHO C[C@H](O)CN1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981427404 661151760 /nfs/dbraw/zinc/15/17/60/661151760.db2.gz FRLAFKKCLJXMMW-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[N@H+](CC2CC2)CC1 ZINC000981647319 661189535 /nfs/dbraw/zinc/18/95/35/661189535.db2.gz YHVRTKHXYOEZTA-UPTPFMHGSA-N 1 3 319.449 0.794 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[N@@H+](CC2CC2)CC1 ZINC000981647319 661189537 /nfs/dbraw/zinc/18/95/37/661189537.db2.gz YHVRTKHXYOEZTA-UPTPFMHGSA-N 1 3 319.449 0.794 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@H+](C[C@@H]1CCOC1)C2 ZINC000982036308 661282231 /nfs/dbraw/zinc/28/22/31/661282231.db2.gz DTMXOJPSFAIIBT-AWEZNQCLSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000982036308 661282233 /nfs/dbraw/zinc/28/22/33/661282233.db2.gz DTMXOJPSFAIIBT-AWEZNQCLSA-N 1 3 318.421 0.913 20 0 DCADHO O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000982062753 661285729 /nfs/dbraw/zinc/28/57/29/661285729.db2.gz DEQUTPBIJUBUSI-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000982062753 661285730 /nfs/dbraw/zinc/28/57/30/661285730.db2.gz DEQUTPBIJUBUSI-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC000998535779 665475727 /nfs/dbraw/zinc/47/57/27/665475727.db2.gz QINKAJSOJOLGJQ-NRXISQOPSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000998551976 665477911 /nfs/dbraw/zinc/47/79/11/665477911.db2.gz SACAXSBYXOAKFS-GPANFISMSA-N 1 3 317.437 0.958 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001023086350 657488805 /nfs/dbraw/zinc/48/88/05/657488805.db2.gz JCVZXHYJFXPYFN-KFWWJZLASA-N 1 3 303.410 0.474 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023086350 657488813 /nfs/dbraw/zinc/48/88/13/657488813.db2.gz JCVZXHYJFXPYFN-KFWWJZLASA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001023086010 657495565 /nfs/dbraw/zinc/49/55/65/657495565.db2.gz CFAHOXDYUQEGOD-MELADBBJSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001023086010 657495571 /nfs/dbraw/zinc/49/55/71/657495571.db2.gz CFAHOXDYUQEGOD-MELADBBJSA-N 1 3 303.410 0.474 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891579120 657495724 /nfs/dbraw/zinc/49/57/24/657495724.db2.gz CXDRZIKKKDNNJK-RDJZCZTQSA-N 1 3 323.485 0.598 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023124645 657536447 /nfs/dbraw/zinc/53/64/47/657536447.db2.gz JWXKVRSPQOXEJZ-ZQDZILKHSA-N 1 3 320.441 0.388 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)c1 ZINC001023126032 657538487 /nfs/dbraw/zinc/53/84/87/657538487.db2.gz GEVUFTJIGFAJIG-OKILXGFUSA-N 1 3 304.394 0.084 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000998721106 665510177 /nfs/dbraw/zinc/51/01/77/665510177.db2.gz LMHWFIOKJWIRAW-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022533664 658037332 /nfs/dbraw/zinc/03/73/32/658037332.db2.gz CUWPCZNOOSCUQG-BETUJISGSA-N 1 3 320.441 0.426 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001020586417 658162389 /nfs/dbraw/zinc/16/23/89/658162389.db2.gz NUJVTJQTHFABPK-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001020586557 658162427 /nfs/dbraw/zinc/16/24/27/658162427.db2.gz QWDYOWUKAGUZGV-KKUMJFAQSA-N 1 3 319.453 0.684 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001020591558 658173394 /nfs/dbraw/zinc/17/33/94/658173394.db2.gz RBDQEBWKXKCXHC-MGPQQGTHSA-N 1 3 322.453 0.234 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020593083 658178934 /nfs/dbraw/zinc/17/89/34/658178934.db2.gz WOOMFEWGLOCDKZ-BHPKHCPMSA-N 1 3 320.441 0.233 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020593083 658178937 /nfs/dbraw/zinc/17/89/37/658178937.db2.gz WOOMFEWGLOCDKZ-BHPKHCPMSA-N 1 3 320.441 0.233 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926363064 658232582 /nfs/dbraw/zinc/23/25/82/658232582.db2.gz QFKOIYXRCYERHP-KBPBESRZSA-N 1 3 312.458 0.228 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)N[C@H]1C[NH2+]CCC1(F)F ZINC000892155396 658232810 /nfs/dbraw/zinc/23/28/10/658232810.db2.gz FCDBHYGBZHSVEQ-KGLIPLIRSA-N 1 3 324.375 0.997 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000926379358 658334742 /nfs/dbraw/zinc/33/47/42/658334742.db2.gz HDJPLKQQJBUNPQ-ILXRZTDVSA-N 1 3 324.469 0.371 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000892237569 658345914 /nfs/dbraw/zinc/34/59/14/658345914.db2.gz LGVFGYWJJXNIQB-KKUMJFAQSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000892237569 658345921 /nfs/dbraw/zinc/34/59/21/658345921.db2.gz LGVFGYWJJXNIQB-KKUMJFAQSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCCC3)C2)C1 ZINC001022713290 658358197 /nfs/dbraw/zinc/35/81/97/658358197.db2.gz JVGZEUYMOMQIOL-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)C1=O ZINC001022714553 658365404 /nfs/dbraw/zinc/36/54/04/658365404.db2.gz WTDHCXARIJEQLB-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001022717134 658375574 /nfs/dbraw/zinc/37/55/74/658375574.db2.gz RBDQEBWKXKCXHC-HZSPNIEDSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001022720534 658383788 /nfs/dbraw/zinc/38/37/88/658383788.db2.gz RIHGYFXBZBBIMA-XPCVCDNBSA-N 1 3 305.426 0.355 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001022720534 658383798 /nfs/dbraw/zinc/38/37/98/658383798.db2.gz RIHGYFXBZBBIMA-XPCVCDNBSA-N 1 3 305.426 0.355 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000892435599 658490275 /nfs/dbraw/zinc/49/02/75/658490275.db2.gz BXWIEGITRNDOJA-RBSFLKMASA-N 1 3 312.458 0.650 20 0 DCADHO COC1CCN(CCNC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892465077 658601450 /nfs/dbraw/zinc/60/14/50/658601450.db2.gz QSWDNXJERFSHLH-UHFFFAOYSA-N 1 3 310.442 0.763 20 0 DCADHO CN1CCC[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000891403786 658704149 /nfs/dbraw/zinc/70/41/49/658704149.db2.gz ZSVCGRWUCXUVQX-VWYCJHECSA-N 1 3 308.348 0.859 20 0 DCADHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001021049479 658727842 /nfs/dbraw/zinc/72/78/42/658727842.db2.gz OETJCVQNZSHSLQ-MGPQQGTHSA-N 1 3 306.410 0.980 20 0 DCADHO Cc1nc(C)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001021049479 658727843 /nfs/dbraw/zinc/72/78/43/658727843.db2.gz OETJCVQNZSHSLQ-MGPQQGTHSA-N 1 3 306.410 0.980 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)c1 ZINC001021090472 658751145 /nfs/dbraw/zinc/75/11/45/658751145.db2.gz GEVUFTJIGFAJIG-HDJSIYSDSA-N 1 3 304.394 0.084 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001021093794 658752824 /nfs/dbraw/zinc/75/28/24/658752824.db2.gz ILCKFIJRHACMJD-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)CC[N@@H+]1C ZINC000971561723 658804140 /nfs/dbraw/zinc/80/41/40/658804140.db2.gz BBUWNOUIDYUGMH-RBSFLKMASA-N 1 3 320.441 0.151 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)CC[N@H+]1C ZINC000971561723 658804155 /nfs/dbraw/zinc/80/41/55/658804155.db2.gz BBUWNOUIDYUGMH-RBSFLKMASA-N 1 3 320.441 0.151 20 0 DCADHO N[C@@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[C@H]1F ZINC000892326702 658857173 /nfs/dbraw/zinc/85/71/73/658857173.db2.gz BOJFRUIJKCNNMT-HUUCEWRRSA-N 1 3 306.385 0.913 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)CCC1 ZINC000999347852 665633713 /nfs/dbraw/zinc/63/37/13/665633713.db2.gz LSKFOLOZGYVJPQ-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000999373512 665635044 /nfs/dbraw/zinc/63/50/44/665635044.db2.gz QOFQSBXYWNXJBW-HIFRSBDPSA-N 1 3 322.453 0.459 20 0 DCADHO NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999373512 665635045 /nfs/dbraw/zinc/63/50/45/665635045.db2.gz QOFQSBXYWNXJBW-HIFRSBDPSA-N 1 3 322.453 0.459 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC000999363101 665636966 /nfs/dbraw/zinc/63/69/66/665636966.db2.gz FSOZNCUMZNWCCJ-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1)C1CCC1 ZINC000999365706 665637278 /nfs/dbraw/zinc/63/72/78/665637278.db2.gz RWVTVPMYKAWLPA-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC000999368361 665637933 /nfs/dbraw/zinc/63/79/33/665637933.db2.gz HKRZTZRVKNMXRX-GJZGRUSLSA-N 1 3 320.441 0.199 20 0 DCADHO Cn1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001027218102 659090810 /nfs/dbraw/zinc/09/08/10/659090810.db2.gz XNUYEELRAPTMDW-CQSZACIVSA-N 1 3 305.426 0.454 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)CN1CCN(C)CC1 ZINC000893238978 659134642 /nfs/dbraw/zinc/13/46/42/659134642.db2.gz WYEKAFKGZKCMSE-BZUAXINKSA-N 1 3 323.485 0.215 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)CN1CCN(C)CC1 ZINC000893238978 659134646 /nfs/dbraw/zinc/13/46/46/659134646.db2.gz WYEKAFKGZKCMSE-BZUAXINKSA-N 1 3 323.485 0.215 20 0 DCADHO CCn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026728144 659483443 /nfs/dbraw/zinc/48/34/43/659483443.db2.gz ZMNGLQSDWAORLO-CABCVRRESA-N 1 3 319.453 0.935 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892944065 659542019 /nfs/dbraw/zinc/54/20/19/659542019.db2.gz NREQHYAVAWWWCY-YQQAZPJKSA-N 1 3 324.469 0.690 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892944065 659542021 /nfs/dbraw/zinc/54/20/21/659542021.db2.gz NREQHYAVAWWWCY-YQQAZPJKSA-N 1 3 324.469 0.690 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000974650939 659609372 /nfs/dbraw/zinc/60/93/72/659609372.db2.gz KWJSTPKBWNOMDN-CABCVRRESA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000974650939 659609376 /nfs/dbraw/zinc/60/93/76/659609376.db2.gz KWJSTPKBWNOMDN-CABCVRRESA-N 1 3 311.470 0.783 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001026887176 659627871 /nfs/dbraw/zinc/62/78/71/659627871.db2.gz MAQFXOMTEXKJBO-IUODEOHRSA-N 1 3 320.441 0.093 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001026965683 659680381 /nfs/dbraw/zinc/68/03/81/659680381.db2.gz YNNAKNGNCJVKOT-CTMQZQKCSA-N 1 3 319.449 0.698 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000999833528 665695607 /nfs/dbraw/zinc/69/56/07/665695607.db2.gz LROWSKZEXUUHKJ-NRXISQOPSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001027063114 659758676 /nfs/dbraw/zinc/75/86/76/659758676.db2.gz HRJIIJUQBVVUHE-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]32)C1 ZINC001026043532 659759167 /nfs/dbraw/zinc/75/91/67/659759167.db2.gz JQUMJZAXVDZSHY-JLOCXQCDSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@H]32)C1 ZINC001026043532 659759171 /nfs/dbraw/zinc/75/91/71/659759171.db2.gz JQUMJZAXVDZSHY-JLOCXQCDSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]32)C1 ZINC001026043648 659760096 /nfs/dbraw/zinc/76/00/96/659760096.db2.gz YCDGOVNAHHLGEO-OCABDXPQSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@@H]4CCCO4)C[C@H]32)C1 ZINC001026043648 659760097 /nfs/dbraw/zinc/76/00/97/659760097.db2.gz YCDGOVNAHHLGEO-OCABDXPQSA-N 1 3 321.465 0.944 20 0 DCADHO c1ccc2c(c1)OC[C@@H](CN1CC[C@H](N3CC[NH2+]CC3)C1)O2 ZINC000319244628 661315341 /nfs/dbraw/zinc/31/53/41/661315341.db2.gz WTKDITALLGGRIT-LSDHHAIUSA-N 1 3 303.406 0.806 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001000182302 665766015 /nfs/dbraw/zinc/76/60/15/665766015.db2.gz DLNYNXWWDYNZOS-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001000188697 665768196 /nfs/dbraw/zinc/76/81/96/665768196.db2.gz BTDNSZHGTDNIJS-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC001000188723 665768320 /nfs/dbraw/zinc/76/83/20/665768320.db2.gz BTKOPNSZJSYRRQ-UONOGXRCSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC001000188723 665768321 /nfs/dbraw/zinc/76/83/21/665768321.db2.gz BTKOPNSZJSYRRQ-UONOGXRCSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001000194206 665770205 /nfs/dbraw/zinc/77/02/05/665770205.db2.gz VNKHACHPUVAVAN-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN([C@@H]3CCCNC3=O)C2)CC1 ZINC001028779331 661821634 /nfs/dbraw/zinc/82/16/34/661821634.db2.gz ZDDMPAMKBDZRJX-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000390540 665833929 /nfs/dbraw/zinc/83/39/29/665833929.db2.gz QJEQSHMAQUQIQE-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000940761514 665843673 /nfs/dbraw/zinc/84/36/73/665843673.db2.gz MJLJIVHVLFVEJK-KBUPBQIOSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000940761514 665843675 /nfs/dbraw/zinc/84/36/75/665843675.db2.gz MJLJIVHVLFVEJK-KBUPBQIOSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000984798867 662316062 /nfs/dbraw/zinc/31/60/62/662316062.db2.gz DAHWMGRZGGECHV-FZKCQIBNSA-N 1 3 309.454 0.992 20 0 DCADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC000985119006 662369902 /nfs/dbraw/zinc/36/99/02/662369902.db2.gz GKFQOYLXWTYLAR-JHJVBQTASA-N 1 3 322.409 0.619 20 0 DCADHO COc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC000985119006 662369904 /nfs/dbraw/zinc/36/99/04/662369904.db2.gz GKFQOYLXWTYLAR-JHJVBQTASA-N 1 3 322.409 0.619 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000985155323 662377552 /nfs/dbraw/zinc/37/75/52/662377552.db2.gz VRBOKXWXBPECBI-KBUPBQIOSA-N 1 3 322.453 0.234 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCNC2=O)C1)C1CCC1 ZINC001029756152 662466353 /nfs/dbraw/zinc/46/63/53/662466353.db2.gz YDVJAQPBMNZFGL-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCNC2=O)C1)C1CCC1 ZINC001029756152 662466354 /nfs/dbraw/zinc/46/63/54/662466354.db2.gz YDVJAQPBMNZFGL-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(N)=O)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985684997 662500019 /nfs/dbraw/zinc/50/00/19/662500019.db2.gz CBMFJCZHDHWJMK-UHFFFAOYSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786373 662512570 /nfs/dbraw/zinc/51/25/70/662512570.db2.gz ADJMOJDGVFZLLS-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786373 662512571 /nfs/dbraw/zinc/51/25/71/662512571.db2.gz ADJMOJDGVFZLLS-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@@H]1[C@H](NCc2ccnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360280 662671958 /nfs/dbraw/zinc/67/19/58/662671958.db2.gz UHBGWWSVZFNUQE-UKRRQHHQSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCCC1 ZINC000987519451 662685417 /nfs/dbraw/zinc/68/54/17/662685417.db2.gz OJKBFJLBWLUCCH-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC000987524469 662685863 /nfs/dbraw/zinc/68/58/63/662685863.db2.gz LYZYFVSUVDORMT-GDBMZVCRSA-N 1 3 319.453 0.637 20 0 DCADHO CN(CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C1CCC1 ZINC000900696219 663269858 /nfs/dbraw/zinc/26/98/58/663269858.db2.gz SKINHVGGDKEUOM-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC1(C)CN([C@H]2CCNC2=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221394 665948573 /nfs/dbraw/zinc/94/85/73/665948573.db2.gz SNXVASGTBHCPPL-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001000893861 665952228 /nfs/dbraw/zinc/95/22/28/665952228.db2.gz KBPCEWGHFCIHCE-INIZCTEOSA-N 1 3 309.454 0.847 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001000893861 665952230 /nfs/dbraw/zinc/95/22/30/665952230.db2.gz KBPCEWGHFCIHCE-INIZCTEOSA-N 1 3 309.454 0.847 20 0 DCADHO O=c1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)nc[n-]1 ZINC000902504044 663416461 /nfs/dbraw/zinc/41/64/61/663416461.db2.gz ZTPYVPUAGWCFLM-SYQHCUMBSA-N 1 3 303.410 0.739 20 0 DCADHO OCCO[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOC1 ZINC000903198766 663448712 /nfs/dbraw/zinc/44/87/12/663448712.db2.gz FSRQQXAUOUOCDD-YQAQFAQXSA-N 1 3 310.438 0.902 20 0 DCADHO OCCO[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOC1 ZINC000903198766 663448714 /nfs/dbraw/zinc/44/87/14/663448714.db2.gz FSRQQXAUOUOCDD-YQAQFAQXSA-N 1 3 310.438 0.902 20 0 DCADHO CNC(=O)[C@@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892394 663490472 /nfs/dbraw/zinc/49/04/72/663490472.db2.gz ILLWAWKCASUKHE-UONOGXRCSA-N 1 3 307.442 0.304 20 0 DCADHO CC[C@H](CO)N1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903897679 663493531 /nfs/dbraw/zinc/49/35/31/663493531.db2.gz IIMAUDUKVCXSNJ-DOTOQJQBSA-N 1 3 323.485 0.234 20 0 DCADHO COC(=O)C[C@@H]1CN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C[C@H]1C ZINC000903985702 663499806 /nfs/dbraw/zinc/49/98/06/663499806.db2.gz ACAKFOANLBGVTR-IVMMDQJWSA-N 1 3 322.453 0.977 20 0 DCADHO CCNC(=O)COc1ccc(C[NH2+]CC2(N)CC2)cc1OC ZINC000904450385 663514475 /nfs/dbraw/zinc/51/44/75/663514475.db2.gz PUVDRVKOYGWHQK-UHFFFAOYSA-N 1 3 307.394 0.791 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C(F)(F)F ZINC000904517872 663515521 /nfs/dbraw/zinc/51/55/21/663515521.db2.gz IAZBUOKCQHGMRD-AXFHLTTASA-N 1 3 324.347 0.117 20 0 DCADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)C2 ZINC000904996164 663522448 /nfs/dbraw/zinc/52/24/48/663522448.db2.gz WICADLQQHXQPLS-XGUBFFRZSA-N 1 3 320.437 0.021 20 0 DCADHO O[C@@H](CNCC1([NH+]2CCCC2)CCOCC1)C1(O)CCCC1 ZINC000905097196 663533568 /nfs/dbraw/zinc/53/35/68/663533568.db2.gz ZKHCFJMSOQYREL-HNNXBMFYSA-N 1 3 312.454 0.887 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001001006449 665974269 /nfs/dbraw/zinc/97/42/69/665974269.db2.gz GPWFNFBTXRXDDG-HIFRSBDPSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906656391 663627473 /nfs/dbraw/zinc/62/74/73/663627473.db2.gz GHLQFCUDMIEDJR-XHDPSFHLSA-N 1 3 316.405 0.683 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906679920 663630991 /nfs/dbraw/zinc/63/09/91/663630991.db2.gz OBCQSBGPNAMVEW-CYBMUJFWSA-N 1 3 304.394 0.636 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)c1 ZINC001000987454 665976310 /nfs/dbraw/zinc/97/63/10/665976310.db2.gz HFXVXQVSNKCZTG-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000908541091 663760764 /nfs/dbraw/zinc/76/07/64/663760764.db2.gz PNVHZCWIYWDKEB-CQSZACIVSA-N 1 3 323.441 0.021 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000910555444 663907995 /nfs/dbraw/zinc/90/79/95/663907995.db2.gz RQZLHJPWZHLNFO-UHFFFAOYSA-N 1 3 300.447 0.053 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911028456 663971980 /nfs/dbraw/zinc/97/19/80/663971980.db2.gz IMLQSHAXCMYRNJ-RFQIPJPRSA-N 1 3 310.442 0.029 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911161767 663995594 /nfs/dbraw/zinc/99/55/94/663995594.db2.gz MFGIOYUFUKNJJK-QGZVFWFLSA-N 1 3 322.453 0.189 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)NCCN1CCC(C)CC1)C(C)C ZINC000911162086 663995691 /nfs/dbraw/zinc/99/56/91/663995691.db2.gz OOWNENMCEUZJKV-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000911162915 663996116 /nfs/dbraw/zinc/99/61/16/663996116.db2.gz TYSWWHKVFBOSNV-CPUCHLNUSA-N 1 3 322.453 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911209028 664005516 /nfs/dbraw/zinc/00/55/16/664005516.db2.gz KXTJHRCAZMTBIT-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000911295427 664021051 /nfs/dbraw/zinc/02/10/51/664021051.db2.gz FWDGKGYHLUCNRE-AWEZNQCLSA-N 1 3 324.469 0.468 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000911337082 664037826 /nfs/dbraw/zinc/03/78/26/664037826.db2.gz PSKYKVTXOSEGIZ-KEYYUXOJSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000911532482 664069770 /nfs/dbraw/zinc/06/97/70/664069770.db2.gz MADUJCDKBRYVSV-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@H]1[NH3+] ZINC000911532484 664069838 /nfs/dbraw/zinc/06/98/38/664069838.db2.gz MADUJCDKBRYVSV-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000911544144 664075501 /nfs/dbraw/zinc/07/55/01/664075501.db2.gz GIKXAUXEVOMVGA-QLFBSQMISA-N 1 3 322.453 0.582 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000911544144 664075503 /nfs/dbraw/zinc/07/55/03/664075503.db2.gz GIKXAUXEVOMVGA-QLFBSQMISA-N 1 3 322.453 0.582 20 0 DCADHO CC[NH2+]CCCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC000911689015 664100713 /nfs/dbraw/zinc/10/07/13/664100713.db2.gz YMRGVBSCJZMSET-CYBMUJFWSA-N 1 3 304.394 0.628 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000991436739 664293164 /nfs/dbraw/zinc/29/31/64/664293164.db2.gz GWDOWRSGFAJPQZ-OAHLLOKOSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCN(c2ccnc(NC(=O)C34CC[NH+](CC3)C4)c2)CC1 ZINC000913664498 664710696 /nfs/dbraw/zinc/71/06/96/664710696.db2.gz JHGTYTFMTJIWEY-UHFFFAOYSA-N 1 3 315.421 0.868 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CCC1 ZINC000992708270 664760178 /nfs/dbraw/zinc/76/01/78/664760178.db2.gz GIAXYKYQADGJCS-MELADBBJSA-N 1 3 322.453 0.173 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)C1 ZINC000992802872 664771548 /nfs/dbraw/zinc/77/15/48/664771548.db2.gz AELLUJGPVVNSMN-HRCADAONSA-N 1 3 323.481 0.927 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000731121251 664838435 /nfs/dbraw/zinc/83/84/35/664838435.db2.gz STEQCFROUYHESQ-KFWWJZLASA-N 1 3 310.442 0.491 20 0 DCADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000731121251 664838438 /nfs/dbraw/zinc/83/84/38/664838438.db2.gz STEQCFROUYHESQ-KFWWJZLASA-N 1 3 310.442 0.491 20 0 DCADHO CN1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000918906863 665189156 /nfs/dbraw/zinc/18/91/56/665189156.db2.gz RUETVOUDEAJABW-UKRRQHHQSA-N 1 3 309.458 0.158 20 0 DCADHO CN1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000918906863 665189162 /nfs/dbraw/zinc/18/91/62/665189162.db2.gz RUETVOUDEAJABW-UKRRQHHQSA-N 1 3 309.458 0.158 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941566533 666023647 /nfs/dbraw/zinc/02/36/47/666023647.db2.gz GLGIADLQUJKMDE-MRXNPFEDSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941566533 666023648 /nfs/dbraw/zinc/02/36/48/666023648.db2.gz GLGIADLQUJKMDE-MRXNPFEDSA-N 1 3 322.497 0.813 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@H](C)O)CC1 ZINC001001473125 666056975 /nfs/dbraw/zinc/05/69/75/666056975.db2.gz WTKGEMIRQYNXCM-HOCLYGCPSA-N 1 3 309.454 0.990 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H](C)O)CC1 ZINC001001473125 666056976 /nfs/dbraw/zinc/05/69/76/666056976.db2.gz WTKGEMIRQYNXCM-HOCLYGCPSA-N 1 3 309.454 0.990 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002053502 666130462 /nfs/dbraw/zinc/13/04/62/666130462.db2.gz RRNBATSGBUTDLE-CQSZACIVSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H](C(=O)NCCN(C)CCOCCO)[NH+]1CCCCCC1 ZINC000922125989 666261529 /nfs/dbraw/zinc/26/15/29/666261529.db2.gz XJKJYXHKBAIARP-HNNXBMFYSA-N 1 3 315.458 0.308 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003636840 666337504 /nfs/dbraw/zinc/33/75/04/666337504.db2.gz XGVPUGBDDSAWHA-HIFRSBDPSA-N 1 3 320.441 0.056 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003636840 666337505 /nfs/dbraw/zinc/33/75/05/666337505.db2.gz XGVPUGBDDSAWHA-HIFRSBDPSA-N 1 3 320.441 0.056 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000944329307 666418871 /nfs/dbraw/zinc/41/88/71/666418871.db2.gz SJKRETJXHMNQLK-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000944329307 666418873 /nfs/dbraw/zinc/41/88/73/666418873.db2.gz SJKRETJXHMNQLK-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H]1[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)CC[N@@H+]1C ZINC000922558546 666480963 /nfs/dbraw/zinc/48/09/63/666480963.db2.gz VMAYXYAONXJOBQ-ZFWWWQNUSA-N 1 3 304.442 0.411 20 0 DCADHO C[C@H]1[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)CC[N@H+]1C ZINC000922558546 666480965 /nfs/dbraw/zinc/48/09/65/666480965.db2.gz VMAYXYAONXJOBQ-ZFWWWQNUSA-N 1 3 304.442 0.411 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995878232 666716493 /nfs/dbraw/zinc/71/64/93/666716493.db2.gz DMMXRFAEKXYKSZ-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995878232 666716495 /nfs/dbraw/zinc/71/64/95/666716495.db2.gz DMMXRFAEKXYKSZ-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995884893 666718946 /nfs/dbraw/zinc/71/89/46/666718946.db2.gz MFJDEROHDNOMEU-ZIAGYGMSSA-N 1 3 324.469 0.276 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995884893 666718947 /nfs/dbraw/zinc/71/89/47/666718947.db2.gz MFJDEROHDNOMEU-ZIAGYGMSSA-N 1 3 324.469 0.276 20 0 DCADHO CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1NCC(N)=O ZINC000995966022 666724206 /nfs/dbraw/zinc/72/42/06/666724206.db2.gz JOQSBWBWHAINSA-ZDUSSCGKSA-N 1 3 322.453 0.174 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033595852 666767414 /nfs/dbraw/zinc/76/74/14/666767414.db2.gz VPVQIHGIJGGKOJ-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033595852 666767416 /nfs/dbraw/zinc/76/74/16/666767416.db2.gz VPVQIHGIJGGKOJ-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCn1cncn1 ZINC000996355552 666776593 /nfs/dbraw/zinc/77/65/93/666776593.db2.gz MYENLSBXXBDLHJ-CYBMUJFWSA-N 1 3 317.397 0.071 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(CCO)C1 ZINC001033856156 666847081 /nfs/dbraw/zinc/84/70/81/666847081.db2.gz RRYBLLRBPVAOKS-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(CCO)C1 ZINC001033856156 666847082 /nfs/dbraw/zinc/84/70/82/666847082.db2.gz RRYBLLRBPVAOKS-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+][C@H]3CCCNC3=O)CC2)CCC1 ZINC000996664592 666853800 /nfs/dbraw/zinc/85/38/00/666853800.db2.gz KQKGBHOINJJWSN-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCC(N)=O ZINC000996665536 666854217 /nfs/dbraw/zinc/85/42/17/666854217.db2.gz CVGXKZVHQSQCOH-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996675477 666856681 /nfs/dbraw/zinc/85/66/81/666856681.db2.gz ZBGSDQYZQXRLDA-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cncn2C)CC1)C1CC1 ZINC000996676483 666857398 /nfs/dbraw/zinc/85/73/98/666857398.db2.gz HNIABDSQHLBFBB-MRXNPFEDSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861571450 666946090 /nfs/dbraw/zinc/94/60/90/666946090.db2.gz CXCQOFSHQOXXFF-ZNMIVQPWSA-N 1 3 310.442 0.489 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861571450 666946094 /nfs/dbraw/zinc/94/60/94/666946094.db2.gz CXCQOFSHQOXXFF-ZNMIVQPWSA-N 1 3 310.442 0.489 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034526341 667056881 /nfs/dbraw/zinc/05/68/81/667056881.db2.gz XHDDIFZJVPONHX-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034526341 667056885 /nfs/dbraw/zinc/05/68/85/667056885.db2.gz XHDDIFZJVPONHX-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997043132 667083965 /nfs/dbraw/zinc/08/39/65/667083965.db2.gz UZWJVVUOVOSQDA-AWEZNQCLSA-N 1 3 319.409 0.154 20 0 DCADHO C[NH+]1CCC([C@H]2CCN([C@@H]3CC(=O)N(CCCO)C3=O)C2)CC1 ZINC000840741822 667098171 /nfs/dbraw/zinc/09/81/71/667098171.db2.gz ZTYMVCFKTAUPEQ-LSDHHAIUSA-N 1 3 323.437 0.160 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCN1CC[C@H](O)C1 ZINC000863252862 667122249 /nfs/dbraw/zinc/12/22/49/667122249.db2.gz DWWJIHVBBAXVBT-STQMWFEESA-N 1 3 300.472 0.001 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCN1CC[C@H](O)C1 ZINC000863252862 667122251 /nfs/dbraw/zinc/12/22/51/667122251.db2.gz DWWJIHVBBAXVBT-STQMWFEESA-N 1 3 300.472 0.001 20 0 DCADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)nn1C ZINC000997307096 667244309 /nfs/dbraw/zinc/24/43/09/667244309.db2.gz OTFHKYAOYFARKA-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]CC(N)=O)CC2)c1 ZINC000997361613 667257747 /nfs/dbraw/zinc/25/77/47/667257747.db2.gz WVLVYLLKQXDSHZ-UHFFFAOYSA-N 1 3 318.421 0.428 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCN1C ZINC000925342721 667317539 /nfs/dbraw/zinc/31/75/39/667317539.db2.gz MUTFOIYSHABXPJ-YUELXQCFSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCN1C ZINC000925342721 667317541 /nfs/dbraw/zinc/31/75/41/667317541.db2.gz MUTFOIYSHABXPJ-YUELXQCFSA-N 1 3 310.442 0.320 20 0 DCADHO O=C(N[C@H]1CCN(C[C@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001016003115 667332980 /nfs/dbraw/zinc/33/29/80/667332980.db2.gz BBQMHJVAMGGJBI-LSDHHAIUSA-N 1 3 307.438 0.842 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cncn1C ZINC001036208723 667430038 /nfs/dbraw/zinc/43/00/38/667430038.db2.gz XBFXJFWVVOPHIV-DOMZBBRYSA-N 1 3 316.409 0.713 20 0 DCADHO Cn1nc(Br)cc1CNCC1(O)CC[NH+](C)CC1 ZINC000709258001 667444965 /nfs/dbraw/zinc/44/49/65/667444965.db2.gz FZHGNZFEGQEYLX-UHFFFAOYSA-N 1 3 317.231 0.729 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884223805 667503216 /nfs/dbraw/zinc/50/32/16/667503216.db2.gz YXWUDIBZWUTLCB-KBMXLJTQSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884223805 667503219 /nfs/dbraw/zinc/50/32/19/667503219.db2.gz YXWUDIBZWUTLCB-KBMXLJTQSA-N 1 3 305.422 0.987 20 0 DCADHO COc1cccc(OC)c1OC[C@H](O)C[NH2+]CC1(N)CCC1 ZINC000923333452 667509488 /nfs/dbraw/zinc/50/94/88/667509488.db2.gz VWVAAXLFRGBORG-GFCCVEGCSA-N 1 3 310.394 0.915 20 0 DCADHO NCC(C[NH3+])NCCOc1cc(F)cc(Br)c1 ZINC000923354805 667515492 /nfs/dbraw/zinc/51/54/92/667515492.db2.gz SZKDDHVPSHYNLE-UHFFFAOYSA-N 1 3 306.179 0.843 20 0 DCADHO Cc1cc(C2(NC[C@@H]3CC4(C[NH2+]C4)CO3)CCOCC2)on1 ZINC000923411401 667529441 /nfs/dbraw/zinc/52/94/41/667529441.db2.gz RYFYHSCDUCAYBC-ZDUSSCGKSA-N 1 3 307.394 0.957 20 0 DCADHO CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000923411009 667529496 /nfs/dbraw/zinc/52/94/96/667529496.db2.gz LXNWKPJCACVBBH-DUVNUKRYSA-N 1 3 321.421 0.911 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCCOc2cccc(F)c2)C1 ZINC000923487310 667543016 /nfs/dbraw/zinc/54/30/16/667543016.db2.gz YYHZVRMQQIVKCC-ZDUSSCGKSA-N 1 3 309.385 0.991 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000868305348 667554964 /nfs/dbraw/zinc/55/49/64/667554964.db2.gz WNSQOAOEGPXCJK-JOCQHMNTSA-N 1 3 304.394 0.540 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868407425 667567957 /nfs/dbraw/zinc/56/79/57/667567957.db2.gz VFNFZWWGIFOUNB-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CCN(C(=O)C(=O)NCCN1CCC[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000884576172 667569213 /nfs/dbraw/zinc/56/92/13/667569213.db2.gz BIJKHFDXPXCWHC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C(=O)C(=O)NCCN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884576646 667569243 /nfs/dbraw/zinc/56/92/43/667569243.db2.gz MQHSAWWHBOHEHI-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884617056 667576165 /nfs/dbraw/zinc/57/61/65/667576165.db2.gz GXOMZEHBDIDFFP-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884875620 667617448 /nfs/dbraw/zinc/61/74/48/667617448.db2.gz HGFLTHOJSBYXCW-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)CN1CCN(C)CC1 ZINC000870897045 667771447 /nfs/dbraw/zinc/77/14/47/667771447.db2.gz ZLYNKKWKDMKVQX-HPUBIQBYSA-N 1 3 308.470 0.518 20 0 DCADHO CCN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000886990669 667828222 /nfs/dbraw/zinc/82/82/22/667828222.db2.gz RLVCFLVGINJOIC-HNNXBMFYSA-N 1 3 318.421 0.897 20 0 DCADHO CN(CCO)CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000887241689 667861386 /nfs/dbraw/zinc/86/13/86/667861386.db2.gz BHIWBPJRNIDGEB-UHFFFAOYSA-N 1 3 324.425 0.673 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000872146862 667867731 /nfs/dbraw/zinc/86/77/31/667867731.db2.gz ZIHSZASMDQKFDF-OWDFPOFWSA-N 1 3 321.421 0.811 20 0 DCADHO C[C@H]1CC[C@H](CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)O1 ZINC000872145767 667867934 /nfs/dbraw/zinc/86/79/34/667867934.db2.gz XVUXFYOPCLWUPR-MYPMTAMASA-N 1 3 309.410 0.811 20 0 DCADHO NC(=O)Cn1cc(CN[C@H]2CCCCC23CC[NH2+]CC3)nn1 ZINC000873231197 668067775 /nfs/dbraw/zinc/06/77/75/668067775.db2.gz KSNUAHQXWVMBGE-ZDUSSCGKSA-N 1 3 306.414 0.165 20 0 DCADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873248373 668069082 /nfs/dbraw/zinc/06/90/82/668069082.db2.gz DSXBQQTZTPSIFO-MEDUHNTESA-N 1 3 320.393 0.721 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)CN3CCCC3)CC2)CC1 ZINC000874257230 668163037 /nfs/dbraw/zinc/16/30/37/668163037.db2.gz UQCRZJRTZBDQFY-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000924591990 668219710 /nfs/dbraw/zinc/21/97/10/668219710.db2.gz PINKEKTUKLIPPG-HUUCEWRRSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000924591990 668219715 /nfs/dbraw/zinc/21/97/15/668219715.db2.gz PINKEKTUKLIPPG-HUUCEWRRSA-N 1 3 320.437 0.877 20 0 DCADHO CN1C[C@@H](O)C[C@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000924982727 668259569 /nfs/dbraw/zinc/25/95/69/668259569.db2.gz WQIGKLGMADKXAM-IRXDYDNUSA-N 1 3 317.433 0.616 20 0 DCADHO CN1C[C@@H](O)C[C@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000924982727 668259572 /nfs/dbraw/zinc/25/95/72/668259572.db2.gz WQIGKLGMADKXAM-IRXDYDNUSA-N 1 3 317.433 0.616 20 0 DCADHO COCCN(C)CCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760476082 668273668 /nfs/dbraw/zinc/27/36/68/668273668.db2.gz JNOURONGPABQTN-UHFFFAOYSA-N 1 3 302.488 0.371 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925538263 668328836 /nfs/dbraw/zinc/32/88/36/668328836.db2.gz SNVJDZBOHVHVCY-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO C[C@@H]1COC[C@H]1N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000925935925 668357720 /nfs/dbraw/zinc/35/77/20/668357720.db2.gz GXUDZMFXOGTXKI-HYVNUMGLSA-N 1 3 319.449 0.900 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926293433 668391246 /nfs/dbraw/zinc/39/12/46/668391246.db2.gz MMZMEFJDBZEZGN-AWEZNQCLSA-N 1 3 312.458 0.230 20 0 DCADHO Cn1ncc(CN)c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000876718650 668494980 /nfs/dbraw/zinc/49/49/80/668494980.db2.gz XQRANWYWQOUMGP-UHFFFAOYSA-N 1 3 301.394 0.870 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000927813333 668512880 /nfs/dbraw/zinc/51/28/80/668512880.db2.gz YANYQWLFAGQOSM-BXUZGUMPSA-N 1 3 304.394 0.411 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876880297 668527052 /nfs/dbraw/zinc/52/70/52/668527052.db2.gz HEIIJVHJINXTOR-WBVHZDCISA-N 1 3 308.470 0.615 20 0 DCADHO O=S(=O)(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)C1CNC1 ZINC000923655293 668569107 /nfs/dbraw/zinc/56/91/07/668569107.db2.gz QIILLRRFUPZPBT-KBPBESRZSA-N 1 3 313.398 0.162 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c2)nn1 ZINC000877205892 668576158 /nfs/dbraw/zinc/57/61/58/668576158.db2.gz ASSINUIDZMXBFF-DFBGVHRSSA-N 1 3 312.377 0.093 20 0 DCADHO C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000877252057 668584805 /nfs/dbraw/zinc/58/48/05/668584805.db2.gz YWKYVDBHQZJHQP-HOCLYGCPSA-N 1 3 308.470 0.613 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(COC2)O1 ZINC000930115486 668961420 /nfs/dbraw/zinc/96/14/20/668961420.db2.gz YKWSESBBUXFJGF-INIZCTEOSA-N 1 3 311.470 0.892 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(COC2)O1 ZINC000930115486 668961423 /nfs/dbraw/zinc/96/14/23/668961423.db2.gz YKWSESBBUXFJGF-INIZCTEOSA-N 1 3 311.470 0.892 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879522196 669053643 /nfs/dbraw/zinc/05/36/43/669053643.db2.gz GPKNSCGPIYEJJG-NVXWUHKLSA-N 1 3 307.438 0.954 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879522196 669053648 /nfs/dbraw/zinc/05/36/48/669053648.db2.gz GPKNSCGPIYEJJG-NVXWUHKLSA-N 1 3 307.438 0.954 20 0 DCADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@H](O)CO)C2)ccn1 ZINC000931094306 669133874 /nfs/dbraw/zinc/13/38/74/669133874.db2.gz LYCCZBMQKAVTPL-DOTOQJQBSA-N 1 3 323.437 0.728 20 0 DCADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@H](O)CO)C2)ccn1 ZINC000931094306 669133875 /nfs/dbraw/zinc/13/38/75/669133875.db2.gz LYCCZBMQKAVTPL-DOTOQJQBSA-N 1 3 323.437 0.728 20 0 DCADHO C[C@@H]1CN(CCC(=O)N2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880262374 669183313 /nfs/dbraw/zinc/18/33/13/669183313.db2.gz XVWJBMLOODZQAH-OAHLLOKOSA-N 1 3 318.421 0.841 20 0 DCADHO C[NH+](C)CC1(O)CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000931488369 669210941 /nfs/dbraw/zinc/21/09/41/669210941.db2.gz QLIXGJKVZBOPLZ-HNNXBMFYSA-N 1 3 308.422 0.815 20 0 DCADHO CO[C@H]1C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000883769870 669747661 /nfs/dbraw/zinc/74/76/61/669747661.db2.gz DNZYBDVRMIDFGT-KKUMJFAQSA-N 1 3 314.474 0.983 20 0 DCADHO CO[C@H]1C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000883769870 669747665 /nfs/dbraw/zinc/74/76/65/669747665.db2.gz DNZYBDVRMIDFGT-KKUMJFAQSA-N 1 3 314.474 0.983 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000950819222 670132256 /nfs/dbraw/zinc/13/22/56/670132256.db2.gz ARPNUVKRJOKQPK-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000855345483 670700976 /nfs/dbraw/zinc/70/09/76/670700976.db2.gz BOGGMPIXQGBGNJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000855345483 670700980 /nfs/dbraw/zinc/70/09/80/670700980.db2.gz BOGGMPIXQGBGNJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC2=[NH+]CCCN2C)c1 ZINC000848998969 670747574 /nfs/dbraw/zinc/74/75/74/670747574.db2.gz OQZQQPUXAUUPOV-UHFFFAOYSA-N 1 3 317.437 0.759 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCS(C)(=O)=O ZINC000849044578 670755589 /nfs/dbraw/zinc/75/55/89/670755589.db2.gz XWGXZMKICXTOSM-LBPRGKRZSA-N 1 3 304.460 0.409 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849497872 670809646 /nfs/dbraw/zinc/80/96/46/670809646.db2.gz PHEAUHFMVMIHRY-BPLDGKMQSA-N 1 3 307.442 0.522 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849541202 670815639 /nfs/dbraw/zinc/81/56/39/670815639.db2.gz LYRALGDMHJAULD-JKSUJKDBSA-N 1 3 321.469 0.912 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849541202 670815640 /nfs/dbraw/zinc/81/56/40/670815640.db2.gz LYRALGDMHJAULD-JKSUJKDBSA-N 1 3 321.469 0.912 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000858191794 670978079 /nfs/dbraw/zinc/97/80/79/670978079.db2.gz CBBFEQXLAOTWFM-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000858191794 670978083 /nfs/dbraw/zinc/97/80/83/670978083.db2.gz CBBFEQXLAOTWFM-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CC2(N)CCC2)CC1 ZINC000852746148 671155092 /nfs/dbraw/zinc/15/50/92/671155092.db2.gz FFYWEEUCAKOGBQ-GFCCVEGCSA-N 1 3 312.414 0.147 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852861464 671177552 /nfs/dbraw/zinc/17/75/52/671177552.db2.gz VYAMXLNJCLUXIT-XQQFMLRXSA-N 1 3 312.414 0.096 20 0 DCADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1[nH]nc2c1CNCC2 ZINC000852899693 671189730 /nfs/dbraw/zinc/18/97/30/671189730.db2.gz LBVGDOKIIZCSQV-UONOGXRCSA-N 1 3 303.410 0.802 20 0 DCADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1[nH]nc2c1CNCC2 ZINC000852899693 671189733 /nfs/dbraw/zinc/18/97/33/671189733.db2.gz LBVGDOKIIZCSQV-UONOGXRCSA-N 1 3 303.410 0.802 20 0 DCADHO CC(=O)N1C[C@@H]2C[N@H+](CCCN3CCN(C(C)C)CC3)C[C@@H]2C1 ZINC000821331671 671271863 /nfs/dbraw/zinc/27/18/63/671271863.db2.gz CMGMMMXKODYQMH-HDICACEKSA-N 1 3 322.497 0.813 20 0 DCADHO CC(=O)N1C[C@@H]2C[N@@H+](CCCN3CCN(C(C)C)CC3)C[C@@H]2C1 ZINC000821331671 671271865 /nfs/dbraw/zinc/27/18/65/671271865.db2.gz CMGMMMXKODYQMH-HDICACEKSA-N 1 3 322.497 0.813 20 0 DCADHO CC1=NO[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000824817525 671441044 /nfs/dbraw/zinc/44/10/44/671441044.db2.gz BHQZLWOYXRPDQB-OAHLLOKOSA-N 1 3 308.426 0.826 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)[nH]1 ZINC000834642420 671774904 /nfs/dbraw/zinc/77/49/04/671774904.db2.gz RCLUWOQDOHEECK-LBPRGKRZSA-N 1 3 300.366 0.996 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CCCCC1 ZINC000842015186 671973871 /nfs/dbraw/zinc/97/38/71/671973871.db2.gz HLOWMWZNJKWDKI-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC000842014604 671974070 /nfs/dbraw/zinc/97/40/70/671974070.db2.gz CXHRXZRRSDDJEQ-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CCCCC1 ZINC000842015415 671974161 /nfs/dbraw/zinc/97/41/61/671974161.db2.gz LAZBFYQCHFEIQH-UKRRQHHQSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CCCCC1 ZINC000842016890 671975482 /nfs/dbraw/zinc/97/54/82/671975482.db2.gz YYZHFANEBIDBDB-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO CC[NH2+]CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000844188569 672160089 /nfs/dbraw/zinc/16/00/89/672160089.db2.gz WJPIGIMWQFFCCU-UHFFFAOYSA-N 1 3 305.422 0.869 20 0 DCADHO CC[NH2+]CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000844192345 672161620 /nfs/dbraw/zinc/16/16/20/672161620.db2.gz MNAPNBXVBMLTHL-UHFFFAOYSA-N 1 3 304.438 0.660 20 0 DCADHO CN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000844954052 672211883 /nfs/dbraw/zinc/21/18/83/672211883.db2.gz OBTGXOGOTZTYRR-CVEARBPZSA-N 1 3 324.469 0.977 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892556166 685426658 /nfs/dbraw/zinc/42/66/58/685426658.db2.gz TYMUEAXEKLHBEU-OKILXGFUSA-N 1 3 311.474 0.439 20 0 DCADHO CNS(=O)(=O)[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923315553 1158739116 /nfs/dbraw/zinc/73/91/16/1158739116.db2.gz IEHWPBLZVADOFT-DKUMPPAJSA-N 1 3 315.483 0.921 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000953905053 685894963 /nfs/dbraw/zinc/89/49/63/685894963.db2.gz PVSSNJMUWKWHKM-GJZGRUSLSA-N 1 3 322.453 0.090 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000956947100 686917482 /nfs/dbraw/zinc/91/74/82/686917482.db2.gz RQVXLGKWZVWEBU-LRDDRELGSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000956947100 686917486 /nfs/dbraw/zinc/91/74/86/686917486.db2.gz RQVXLGKWZVWEBU-LRDDRELGSA-N 1 3 319.409 0.011 20 0 DCADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535522 694109405 /nfs/dbraw/zinc/10/94/05/694109405.db2.gz KEEKDPVTPKFFQL-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535522 694109407 /nfs/dbraw/zinc/10/94/07/694109407.db2.gz KEEKDPVTPKFFQL-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC000960130124 688306926 /nfs/dbraw/zinc/30/69/26/688306926.db2.gz FOEZMZHXSPVWAS-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)C1 ZINC000961767434 688726578 /nfs/dbraw/zinc/72/65/78/688726578.db2.gz XIEQGFZGIQWCEX-KBEGMRNHSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)C1 ZINC000961767434 688726580 /nfs/dbraw/zinc/72/65/80/688726580.db2.gz XIEQGFZGIQWCEX-KBEGMRNHSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000961771488 688728502 /nfs/dbraw/zinc/72/85/02/688728502.db2.gz JVLWFXPXOKDDGT-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC000961771488 688728505 /nfs/dbraw/zinc/72/85/05/688728505.db2.gz JVLWFXPXOKDDGT-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO Cc1ncoc1CNCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000962699807 688968285 /nfs/dbraw/zinc/96/82/85/688968285.db2.gz AGZBOIYJYFPXIR-MOKVOYLWSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1ncoc1CNCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000962699807 688968288 /nfs/dbraw/zinc/96/82/88/688968288.db2.gz AGZBOIYJYFPXIR-MOKVOYLWSA-N 1 3 306.410 0.919 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000962707357 688969077 /nfs/dbraw/zinc/96/90/77/688969077.db2.gz FSWGSEVAZFBSAP-JVWICGRDSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000962707357 688969080 /nfs/dbraw/zinc/96/90/80/688969080.db2.gz FSWGSEVAZFBSAP-JVWICGRDSA-N 1 3 305.426 0.356 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC000962709030 688969593 /nfs/dbraw/zinc/96/95/93/688969593.db2.gz LBBVDQLFFMKLNX-SHARSMKWSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1C ZINC000962709030 688969595 /nfs/dbraw/zinc/96/95/95/688969595.db2.gz LBBVDQLFFMKLNX-SHARSMKWSA-N 1 3 319.453 0.665 20 0 DCADHO NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963420782 689048560 /nfs/dbraw/zinc/04/85/60/689048560.db2.gz YYTWWYPJLZSVEY-HUUCEWRRSA-N 1 3 322.453 0.271 20 0 DCADHO NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963420782 689048563 /nfs/dbraw/zinc/04/85/63/689048563.db2.gz YYTWWYPJLZSVEY-HUUCEWRRSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1)C(N)=O ZINC001039301057 694335975 /nfs/dbraw/zinc/33/59/75/694335975.db2.gz DANOIMJHZILWQT-WDFAYWTNSA-N 1 3 319.409 0.328 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2cncn2C)C1)[NH+](C)C ZINC000968996283 690447246 /nfs/dbraw/zinc/44/72/46/690447246.db2.gz DFBRFQWSGRBCPS-HIFRSBDPSA-N 1 3 307.442 0.697 20 0 DCADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2)C1CCC1 ZINC001040241407 694519931 /nfs/dbraw/zinc/51/99/31/694519931.db2.gz NVPCLPRZTHGJRY-QGZVFWFLSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2)C1CCC1 ZINC001040241407 694519935 /nfs/dbraw/zinc/51/99/35/694519935.db2.gz NVPCLPRZTHGJRY-QGZVFWFLSA-N 1 3 309.454 0.778 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCN(CCCF)C2)cn1 ZINC001015827113 692458543 /nfs/dbraw/zinc/45/85/43/692458543.db2.gz NCEYSROUPZDWCR-AWEZNQCLSA-N 1 3 311.405 0.608 20 0 DCADHO Cn1cc(CCN2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001015999723 692542099 /nfs/dbraw/zinc/54/20/99/692542099.db2.gz WXUMOOYGTBXOOM-GDBMZVCRSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001015999723 692542103 /nfs/dbraw/zinc/54/21/03/692542103.db2.gz WXUMOOYGTBXOOM-GDBMZVCRSA-N 1 3 319.453 0.495 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCCC3)C2)CCC1 ZINC001018962736 693298433 /nfs/dbraw/zinc/29/84/33/693298433.db2.gz KCZIYPPJOBJGKO-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001018972660 693302241 /nfs/dbraw/zinc/30/22/41/693302241.db2.gz IBHBZPUWVFEERO-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001019033366 693330475 /nfs/dbraw/zinc/33/04/75/693330475.db2.gz LCABXPJJTKRFKM-RRFJBIMHSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001019381078 693454353 /nfs/dbraw/zinc/45/43/53/693454353.db2.gz XLMXNSIKLDLFEH-KGLIPLIRSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001019381078 693454354 /nfs/dbraw/zinc/45/43/54/693454354.db2.gz XLMXNSIKLDLFEH-KGLIPLIRSA-N 1 3 305.426 0.595 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001019381271 693455315 /nfs/dbraw/zinc/45/53/15/693455315.db2.gz DDKSMRYIYFXMQV-HNNXBMFYSA-N 1 3 319.453 0.806 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001019560585 693522374 /nfs/dbraw/zinc/52/23/74/693522374.db2.gz NVVQJJGPROMHBP-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001019652806 693554033 /nfs/dbraw/zinc/55/40/33/693554033.db2.gz XABWLCFCIVEJQL-ZBFHGGJFSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019652806 693554038 /nfs/dbraw/zinc/55/40/38/693554038.db2.gz XABWLCFCIVEJQL-ZBFHGGJFSA-N 1 3 319.453 0.761 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001019810646 693591874 /nfs/dbraw/zinc/59/18/74/693591874.db2.gz BTQODATYIKVVQN-BBRMVZONSA-N 1 3 305.422 0.933 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)c1 ZINC001073455756 694728925 /nfs/dbraw/zinc/72/89/25/694728925.db2.gz OJWWQUVHZHBBBI-UHFFFAOYSA-N 1 3 317.433 0.888 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)c1 ZINC001073455756 694728927 /nfs/dbraw/zinc/72/89/27/694728927.db2.gz OJWWQUVHZHBBBI-UHFFFAOYSA-N 1 3 317.433 0.888 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073461656 694729380 /nfs/dbraw/zinc/72/93/80/694729380.db2.gz HKYYIXBEIGBUHE-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073461656 694729382 /nfs/dbraw/zinc/72/93/82/694729382.db2.gz HKYYIXBEIGBUHE-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)[C@@H]1C)N(C)C ZINC001074885396 694928546 /nfs/dbraw/zinc/92/85/46/694928546.db2.gz BACILDMLTKQZHT-XQLPTFJDSA-N 1 3 324.469 0.526 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CN(CCCO)C[C@H]21 ZINC001076083904 694997609 /nfs/dbraw/zinc/99/76/09/694997609.db2.gz WUNIGQNQIHZWOJ-BBWFWOEESA-N 1 3 321.465 0.776 20 0 DCADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076446920 695023295 /nfs/dbraw/zinc/02/32/95/695023295.db2.gz HSERGBFRYYGZDJ-DLBZAZTESA-N 1 3 321.465 0.633 20 0 DCADHO Cc1ccccc1OC[C@H](O)C[NH2+]CC1(O)CCN(C)CC1 ZINC000397485995 1158100348 /nfs/dbraw/zinc/10/03/48/1158100348.db2.gz BVONQVXWGSTAPB-OAHLLOKOSA-N 1 3 308.422 0.781 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C)N(C)C ZINC001102088080 1158366724 /nfs/dbraw/zinc/36/67/24/1158366724.db2.gz LKORSHPNFZPOAH-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C)N(C)C ZINC001102088080 1158366731 /nfs/dbraw/zinc/36/67/31/1158366731.db2.gz LKORSHPNFZPOAH-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001649084767 1158634966 /nfs/dbraw/zinc/63/49/66/1158634966.db2.gz HBGDFOFZXKOTAD-ZIAGYGMSSA-N 1 3 323.437 0.661 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001436796210 1159274004 /nfs/dbraw/zinc/27/40/04/1159274004.db2.gz RRMMTEAYMDOBHX-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCCN(CCCF)C2)C1 ZINC001447047546 1159568814 /nfs/dbraw/zinc/56/88/14/1159568814.db2.gz VMQBBJVYWUONDU-GDBMZVCRSA-N 1 3 315.433 0.631 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCCN(CCCF)C2)C1 ZINC001447047546 1159568822 /nfs/dbraw/zinc/56/88/22/1159568822.db2.gz VMQBBJVYWUONDU-GDBMZVCRSA-N 1 3 315.433 0.631 20 0 DCADHO C[C@H]([NH2+]CCOCCO)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566534097 1160042246 /nfs/dbraw/zinc/04/22/46/1160042246.db2.gz RJNKGIVOTNQIBD-ZFWWWQNUSA-N 1 3 324.425 0.320 20 0 DCADHO CC(C)[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001567087998 1160236072 /nfs/dbraw/zinc/23/60/72/1160236072.db2.gz BQEMULIWHRSBGY-ZDUSSCGKSA-N 1 3 321.425 0.305 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001567590562 1160433414 /nfs/dbraw/zinc/43/34/14/1160433414.db2.gz CXYLJOKKMNEBAP-UHFFFAOYSA-N 1 3 303.410 0.429 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)c1ccccc1)C(=O)CN1CCCC1 ZINC001567606371 1160438319 /nfs/dbraw/zinc/43/83/19/1160438319.db2.gz JPHYXOBZPRNCNC-MRXNPFEDSA-N 1 3 305.422 0.864 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001568645952 1160722048 /nfs/dbraw/zinc/72/20/48/1160722048.db2.gz NCMGEJGOADCCEH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001568991708 1160911086 /nfs/dbraw/zinc/91/10/86/1160911086.db2.gz IRQICFJPEBHGEI-GDBMZVCRSA-N 1 3 321.469 0.930 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)ccc1=O ZINC001573864160 1163571168 /nfs/dbraw/zinc/57/11/68/1163571168.db2.gz VCBRPDDJGFNRIS-CJNGLKHVSA-N 1 3 304.394 0.348 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCN1CCc1cn[nH]n1)[NH+](C)C ZINC001575441261 1164015380 /nfs/dbraw/zinc/01/53/80/1164015380.db2.gz WOYSWEANNMSWCN-CABCVRRESA-N 1 3 322.457 0.514 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)N2CCNCC2)C1 ZINC001575601440 1164077481 /nfs/dbraw/zinc/07/74/81/1164077481.db2.gz PLFHXSDSWQVMEO-CQSZACIVSA-N 1 3 318.487 0.094 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)N2CCNCC2)C1 ZINC001575601440 1164077488 /nfs/dbraw/zinc/07/74/88/1164077488.db2.gz PLFHXSDSWQVMEO-CQSZACIVSA-N 1 3 318.487 0.094 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001575681682 1164102103 /nfs/dbraw/zinc/10/21/03/1164102103.db2.gz IBFUPSFHUZIYSG-HUUCEWRRSA-N 1 3 310.446 0.075 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001575681682 1164102111 /nfs/dbraw/zinc/10/21/11/1164102111.db2.gz IBFUPSFHUZIYSG-HUUCEWRRSA-N 1 3 310.446 0.075 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)CN1CCN(C)CC1 ZINC001576017147 1164212733 /nfs/dbraw/zinc/21/27/33/1164212733.db2.gz OICMNFSDMLPXKW-OAGGEKHMSA-N 1 3 323.485 0.121 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[C@@](C)(O)C2CC2)CC2(CC[NH2+]CC2)O1 ZINC001576799943 1164469198 /nfs/dbraw/zinc/46/91/98/1164469198.db2.gz DUNKHNCUIYTBMH-VNQPRFMTSA-N 1 3 312.454 0.741 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCc1c[nH]nn1)C1CC1 ZINC001576907586 1164526688 /nfs/dbraw/zinc/52/66/88/1164526688.db2.gz QPDHAHIQOCGFDV-CABCVRRESA-N 1 3 320.441 0.664 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCc1c[nH]nn1)C1CC1 ZINC001576907586 1164526692 /nfs/dbraw/zinc/52/66/92/1164526692.db2.gz QPDHAHIQOCGFDV-CABCVRRESA-N 1 3 320.441 0.664 20 0 DCADHO CCCN(C)CC(=O)N(C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001577212235 1164636806 /nfs/dbraw/zinc/63/68/06/1164636806.db2.gz CZKVZUFFQLFHTI-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]CC(CC)(CC)CN)C1 ZINC001577967907 1164868559 /nfs/dbraw/zinc/86/85/59/1164868559.db2.gz ZIMJHPFYHBBUHQ-CHWSQXEVSA-N 1 3 301.431 0.790 20 0 DCADHO C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@@]1(O)CCCNC1 ZINC001578468096 1165026156 /nfs/dbraw/zinc/02/61/56/1165026156.db2.gz FALLKAPYXGYXEG-OAHLLOKOSA-N 1 3 301.431 0.948 20 0 DCADHO C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@@]1(O)CCCNC1 ZINC001578468096 1165026164 /nfs/dbraw/zinc/02/61/64/1165026164.db2.gz FALLKAPYXGYXEG-OAHLLOKOSA-N 1 3 301.431 0.948 20 0 DCADHO CN(CCNC(=O)C[C@@]1(O)CCC[NH2+]C1)Cc1ccccc1 ZINC001578474366 1165030673 /nfs/dbraw/zinc/03/06/73/1165030673.db2.gz VYZPTIMKFYUOLN-KRWDZBQOSA-N 1 3 305.422 0.739 20 0 DCADHO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCCNC4)[C@@H]2C1 ZINC001578524463 1165042290 /nfs/dbraw/zinc/04/22/90/1165042290.db2.gz WUFRBVUGCQAGSK-LSDHHAIUSA-N 1 3 301.390 0.945 20 0 DCADHO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)OCCNC4)[C@@H]2C1 ZINC001578524463 1165042296 /nfs/dbraw/zinc/04/22/96/1165042296.db2.gz WUFRBVUGCQAGSK-LSDHHAIUSA-N 1 3 301.390 0.945 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC001579038363 1165192738 /nfs/dbraw/zinc/19/27/38/1165192738.db2.gz GMPPAQSCBBLTHD-BBRMVZONSA-N 1 3 310.442 0.620 20 0 DCADHO [NH3+]CC[C@H](O)CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001580284558 1165558976 /nfs/dbraw/zinc/55/89/76/1165558976.db2.gz IVBIGJCZHIVLGH-ZJUUUORDSA-N 1 3 304.316 0.994 20 0 DCADHO O=C([C@@H]1CCN1C1CCCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001580482998 1165617334 /nfs/dbraw/zinc/61/73/34/1165617334.db2.gz ACUXHWISEVAZJD-CVEARBPZSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(C[C@@]1(O)CC[NH2+]C1)NCCCN1CCc2ccccc2C1 ZINC001580499451 1165624801 /nfs/dbraw/zinc/62/48/01/1165624801.db2.gz CGOJQPPLVCRNBC-SFHVURJKSA-N 1 3 317.433 0.666 20 0 DCADHO O[C@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)C[C@@]1(O)CCOC1 ZINC001646522616 1172413773 /nfs/dbraw/zinc/41/37/73/1172413773.db2.gz REXSTPMSLBQMBU-IKGGRYGDSA-N 1 3 312.454 0.600 20 0 DCADHO O[C@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)C[C@@]1(O)CCOC1 ZINC001646522616 1172413777 /nfs/dbraw/zinc/41/37/77/1172413777.db2.gz REXSTPMSLBQMBU-IKGGRYGDSA-N 1 3 312.454 0.600 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001646550092 1172421083 /nfs/dbraw/zinc/42/10/83/1172421083.db2.gz XINVHVDQWHFPSL-KFWWJZLASA-N 1 3 312.458 0.600 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C[C@@H](O)C[NH3+])c1cccc(OC)c1 ZINC001646735237 1172499599 /nfs/dbraw/zinc/49/95/99/1172499599.db2.gz BWHPVASWVJYMHA-ZBFHGGJFSA-N 1 3 323.437 0.904 20 0 DCADHO CSCC[C@H]([NH3+])CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001646740728 1172503044 /nfs/dbraw/zinc/50/30/44/1172503044.db2.gz QFTJKNQFJGLHGX-YNEHKIRRSA-N 1 3 301.456 0.436 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001646809979 1172545091 /nfs/dbraw/zinc/54/50/91/1172545091.db2.gz JANYYEHXYKNPAK-ZENOOKHLSA-N 1 3 319.405 0.469 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(N3CCOC3=O)CC2)C1 ZINC001647286046 1172785785 /nfs/dbraw/zinc/78/57/85/1172785785.db2.gz MTIHNDQIOFLCJU-ZDUSSCGKSA-N 1 3 324.425 0.100 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N(C)C2(C[NH3+])CCOCC2)CN1C1CC1 ZINC001647567219 1172975003 /nfs/dbraw/zinc/97/50/03/1172975003.db2.gz XTZHZXIHIOPELM-OLZOCXBDSA-N 1 3 310.442 0.761 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC001647574773 1172978188 /nfs/dbraw/zinc/97/81/88/1172978188.db2.gz HEKWLRMCYSGADY-FPCVCCKLSA-N 1 3 323.485 0.262 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001649282425 1173086409 /nfs/dbraw/zinc/08/64/09/1173086409.db2.gz MHLVSEUSNPJTNA-GXTWGEPZSA-N 1 3 308.430 0.125 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001649282425 1173086416 /nfs/dbraw/zinc/08/64/16/1173086416.db2.gz MHLVSEUSNPJTNA-GXTWGEPZSA-N 1 3 308.430 0.125 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1(C)C ZINC001650170969 1173495650 /nfs/dbraw/zinc/49/56/50/1173495650.db2.gz URFUFWOOASGCCT-BFHYXJOUSA-N 1 3 309.458 0.205 20 0 DCADHO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC001650337338 1173574381 /nfs/dbraw/zinc/57/43/81/1173574381.db2.gz BFRSYTYJBRUFPI-SMDDNHRTSA-N 1 3 316.405 0.580 20 0 DCADHO C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC001650337338 1173574384 /nfs/dbraw/zinc/57/43/84/1173574384.db2.gz BFRSYTYJBRUFPI-SMDDNHRTSA-N 1 3 316.405 0.580 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC001650346659 1173583617 /nfs/dbraw/zinc/58/36/17/1173583617.db2.gz OJBLXXXQEGTCDI-QXSJWSMHSA-N 1 3 308.470 0.754 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC001650346659 1173583622 /nfs/dbraw/zinc/58/36/22/1173583622.db2.gz OJBLXXXQEGTCDI-QXSJWSMHSA-N 1 3 308.470 0.754 20 0 DCADHO CN1CCNC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001650365934 1173594553 /nfs/dbraw/zinc/59/45/53/1173594553.db2.gz AJTAUALVTBCSNQ-OAGGEKHMSA-N 1 3 320.412 0.291 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001650409376 1173626710 /nfs/dbraw/zinc/62/67/10/1173626710.db2.gz AQNFYVJSHHEHNQ-CZUORRHYSA-N 1 3 302.422 0.444 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1(C)C ZINC001650415810 1173629340 /nfs/dbraw/zinc/62/93/40/1173629340.db2.gz PEGGEBRLZFSYKF-WRFANHODSA-N 1 3 309.454 0.929 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1(C)C ZINC001650415810 1173629343 /nfs/dbraw/zinc/62/93/43/1173629343.db2.gz PEGGEBRLZFSYKF-WRFANHODSA-N 1 3 309.454 0.929 20 0 DCADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1CC[NH2+]CCCO ZINC001656448663 1173861986 /nfs/dbraw/zinc/86/19/86/1173861986.db2.gz UALDPPARCKUKIE-UKRRQHHQSA-N 1 3 308.426 0.941 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)c1 ZINC001661510598 1174132235 /nfs/dbraw/zinc/13/22/35/1174132235.db2.gz FZHZQNOESOPQBD-WKILWMFISA-N 1 3 305.422 0.981 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC001662690382 1174231617 /nfs/dbraw/zinc/23/16/17/1174231617.db2.gz GOFNGJVFKNUWPC-KBPBESRZSA-N 1 3 306.410 0.817 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC001662690385 1174231697 /nfs/dbraw/zinc/23/16/97/1174231697.db2.gz GOFNGJVFKNUWPC-ZIAGYGMSSA-N 1 3 306.410 0.817 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001662712908 1174235223 /nfs/dbraw/zinc/23/52/23/1174235223.db2.gz WLHWNOZKDLHZNR-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO CCCCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663942469 1174373991 /nfs/dbraw/zinc/37/39/91/1174373991.db2.gz VSQRPHXGOOUXTE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001663942469 1174373992 /nfs/dbraw/zinc/37/39/92/1174373992.db2.gz VSQRPHXGOOUXTE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCc1cncn1C ZINC001664391802 1174429340 /nfs/dbraw/zinc/42/93/40/1174429340.db2.gz RTUWAYAUGQRWCZ-OKILXGFUSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCc1cncn1C ZINC001664391802 1174429342 /nfs/dbraw/zinc/42/93/42/1174429342.db2.gz RTUWAYAUGQRWCZ-OKILXGFUSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001666144973 1174589272 /nfs/dbraw/zinc/58/92/72/1174589272.db2.gz BGPYUPCNGANXKV-KBPBESRZSA-N 1 3 310.442 0.032 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@H]1CCN(C2CCC2)C1=O ZINC001669020775 1174876508 /nfs/dbraw/zinc/87/65/08/1174876508.db2.gz JDRRYFFAGDHUPE-BWPKMQGJSA-N 1 3 322.453 0.354 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001669188637 1174907348 /nfs/dbraw/zinc/90/73/48/1174907348.db2.gz GZCZPEPIOPRNCT-MFHOCJEASA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001669188637 1174907353 /nfs/dbraw/zinc/90/73/53/1174907353.db2.gz GZCZPEPIOPRNCT-MFHOCJEASA-N 1 3 324.469 0.455 20 0 DCADHO CN(CCOCC[NH2+]Cc1ccnn1C)C(=O)[C@@H]1CCCN1C ZINC001677479880 1175569072 /nfs/dbraw/zinc/56/90/72/1175569072.db2.gz LWQBOACEUJHPEE-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC ZINC001689965094 1177129494 /nfs/dbraw/zinc/12/94/94/1177129494.db2.gz HZXORJVLPPYCCA-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC ZINC001689965094 1177129502 /nfs/dbraw/zinc/12/95/02/1177129502.db2.gz HZXORJVLPPYCCA-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001690290251 1177207804 /nfs/dbraw/zinc/20/78/04/1177207804.db2.gz ZMGLZXUFZKEABE-XJKCOSOUSA-N 1 3 315.433 0.818 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001690899568 1177347078 /nfs/dbraw/zinc/34/70/78/1177347078.db2.gz SGEGTVFNXYKGEW-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001690899568 1177347081 /nfs/dbraw/zinc/34/70/81/1177347081.db2.gz SGEGTVFNXYKGEW-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CCCO)C2)C1 ZINC001698698046 1177611554 /nfs/dbraw/zinc/61/15/54/1177611554.db2.gz QPGDSMGYQHJKKY-HZPDHXFCSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCn1cncn1 ZINC001698748059 1177630559 /nfs/dbraw/zinc/63/05/59/1177630559.db2.gz HKTUKPNZACCDML-ZDUSSCGKSA-N 1 3 308.430 0.104 20 0 DCADHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CCCO ZINC001698769310 1177644452 /nfs/dbraw/zinc/64/44/52/1177644452.db2.gz YMJRGJGHUOQBOH-BBRMVZONSA-N 1 3 317.449 0.923 20 0 DCADHO C[C@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001698829246 1177684953 /nfs/dbraw/zinc/68/49/53/1177684953.db2.gz UEYYQUJDNTZAOZ-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CCC(F)(F)F)N(C)C ZINC001699064184 1177817083 /nfs/dbraw/zinc/81/70/83/1177817083.db2.gz QAJLCFWEQFKFAW-GHMZBOCLSA-N 1 3 313.364 0.592 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001699105180 1177860048 /nfs/dbraw/zinc/86/00/48/1177860048.db2.gz DLFRJEQWDNTORF-LBPRGKRZSA-N 1 3 308.430 0.284 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001703184471 1179376590 /nfs/dbraw/zinc/37/65/90/1179376590.db2.gz HSOHELXJQRTKMB-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001703184471 1179376599 /nfs/dbraw/zinc/37/65/99/1179376599.db2.gz HSOHELXJQRTKMB-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H]1CCNC1=O ZINC001707460303 1180521520 /nfs/dbraw/zinc/52/15/20/1180521520.db2.gz AGLSGIRSOJNUDJ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H]1CCNC1=O ZINC001707460303 1180521522 /nfs/dbraw/zinc/52/15/22/1180521522.db2.gz AGLSGIRSOJNUDJ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO COCCCN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001713082722 1180672681 /nfs/dbraw/zinc/67/26/81/1180672681.db2.gz IEGPQYSZHQGHPT-CQSZACIVSA-N 1 3 323.441 0.285 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001714671130 1181471114 /nfs/dbraw/zinc/47/11/14/1181471114.db2.gz RREVUWQOBKLIBY-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714707799 1181495840 /nfs/dbraw/zinc/49/58/40/1181495840.db2.gz RDKBGWCHHIGGQY-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714707799 1181495843 /nfs/dbraw/zinc/49/58/43/1181495843.db2.gz RDKBGWCHHIGGQY-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001715607143 1181893464 /nfs/dbraw/zinc/89/34/64/1181893464.db2.gz XWKDYZOMTPABGI-ZIAGYGMSSA-N 1 3 303.422 0.676 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@@H](C)C2)n1 ZINC001715949002 1182115395 /nfs/dbraw/zinc/11/53/95/1182115395.db2.gz KLLNENXNYQLXCG-CHWSQXEVSA-N 1 3 322.457 0.331 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001716350099 1182351901 /nfs/dbraw/zinc/35/19/01/1182351901.db2.gz ATTYVAYWGLCXHO-ZYOQUQOHSA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001716350099 1182351903 /nfs/dbraw/zinc/35/19/03/1182351903.db2.gz ATTYVAYWGLCXHO-ZYOQUQOHSA-N 1 3 322.453 0.400 20 0 DCADHO C[C@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)[NH+]1CCCCCC1 ZINC001716350355 1182351907 /nfs/dbraw/zinc/35/19/07/1182351907.db2.gz FZCZXQBNSRVBRR-BUHQSOCUSA-N 1 3 310.442 0.387 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)n1 ZINC001716453250 1182395153 /nfs/dbraw/zinc/39/51/53/1182395153.db2.gz YNMWGVMNURWZPK-STQMWFEESA-N 1 3 323.441 0.747 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001716626999 1182469782 /nfs/dbraw/zinc/46/97/82/1182469782.db2.gz OVNYRFIBQRAUEC-AWEZNQCLSA-N 1 3 317.397 0.037 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001717106731 1182679162 /nfs/dbraw/zinc/67/91/62/1182679162.db2.gz FHDUUQMQATXXHZ-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO COCC[NH2+][C@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001717253707 1182751010 /nfs/dbraw/zinc/75/10/10/1182751010.db2.gz GCYYPVQSEAJBCE-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000167405778 1183484856 /nfs/dbraw/zinc/48/48/56/1183484856.db2.gz SKJMKBBLLXZYDO-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001721858248 1184083131 /nfs/dbraw/zinc/08/31/31/1184083131.db2.gz FPRZYFNPOFUBBW-VBROQKIQSA-N 1 3 310.442 0.069 20 0 DCADHO CCCN(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001721858248 1184083139 /nfs/dbraw/zinc/08/31/39/1184083139.db2.gz FPRZYFNPOFUBBW-VBROQKIQSA-N 1 3 310.442 0.069 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001725391804 1184800661 /nfs/dbraw/zinc/80/06/61/1184800661.db2.gz VFWIUEDODZAEOA-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N(C)CC ZINC001753194969 1185176968 /nfs/dbraw/zinc/17/69/68/1185176968.db2.gz QHGKAELRGIHYQN-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)N(C)CC ZINC001753194969 1185176971 /nfs/dbraw/zinc/17/69/71/1185176971.db2.gz QHGKAELRGIHYQN-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCC(F)F)C1 ZINC001731654054 1185430782 /nfs/dbraw/zinc/43/07/82/1185430782.db2.gz QUPMCHBLNGNSEQ-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCn1cccn1 ZINC001732359776 1185780030 /nfs/dbraw/zinc/78/00/30/1185780030.db2.gz FIBOYALNTWIIFT-HUUCEWRRSA-N 1 3 307.442 0.567 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001732721939 1185935854 /nfs/dbraw/zinc/93/58/54/1185935854.db2.gz CHIIUBCIQHCTNY-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732852822 1186015225 /nfs/dbraw/zinc/01/52/25/1186015225.db2.gz VJLRXCWGGVLNBW-BEVHLOIGSA-N 1 3 310.442 0.256 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732852822 1186015231 /nfs/dbraw/zinc/01/52/31/1186015231.db2.gz VJLRXCWGGVLNBW-BEVHLOIGSA-N 1 3 310.442 0.256 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC ZINC001733144500 1186161719 /nfs/dbraw/zinc/16/17/19/1186161719.db2.gz GRTATCNJHRTRHF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]C[C@H]2CCOC2)C1 ZINC001733668698 1186395381 /nfs/dbraw/zinc/39/53/81/1186395381.db2.gz ZVWWFHWZACJRGH-ZIAGYGMSSA-N 1 3 306.410 0.817 20 0 DCADHO Cn1ccc(CNCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001733675921 1186397034 /nfs/dbraw/zinc/39/70/34/1186397034.db2.gz DSXHDMNYSRLSGA-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001733675921 1186397037 /nfs/dbraw/zinc/39/70/37/1186397037.db2.gz DSXHDMNYSRLSGA-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCOc2ccccc2)C1 ZINC001734385669 1186636966 /nfs/dbraw/zinc/63/69/66/1186636966.db2.gz UCOXQZWITZZYAY-GJZGRUSLSA-N 1 3 321.421 0.084 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCOc2ccccc2)C1 ZINC001734385669 1186636969 /nfs/dbraw/zinc/63/69/69/1186636969.db2.gz UCOXQZWITZZYAY-GJZGRUSLSA-N 1 3 321.421 0.084 20 0 DCADHO CC(C)[C@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001736936618 1187186700 /nfs/dbraw/zinc/18/67/00/1187186700.db2.gz WOALEXGCIRHQKZ-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001736936618 1187186703 /nfs/dbraw/zinc/18/67/03/1187186703.db2.gz WOALEXGCIRHQKZ-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001742510820 1187997268 /nfs/dbraw/zinc/99/72/68/1187997268.db2.gz ZVODZAXQYQWJOB-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[NH+](C)CC1(C(=O)NC/C=C\CNC(=O)CN2CCCC2)CC1 ZINC001747225042 1188253405 /nfs/dbraw/zinc/25/34/05/1188253405.db2.gz RJRYRMPOBMTHLQ-ARJAWSKDSA-N 1 3 322.453 0.213 20 0 DCADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001771820442 1188339206 /nfs/dbraw/zinc/33/92/06/1188339206.db2.gz PSQFUTZTGAEHHQ-JKSUJKDBSA-N 1 3 307.438 0.528 20 0 DCADHO CN(CCNCC(=O)NC1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001753260812 1188552037 /nfs/dbraw/zinc/55/20/37/1188552037.db2.gz XPJXXYUCLRMKPT-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNCC(=O)NC1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001753260812 1188552040 /nfs/dbraw/zinc/55/20/40/1188552040.db2.gz XPJXXYUCLRMKPT-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(NC[C@H](O)CNC/C=C/Cl)[C@H]1C[NH+]2CCC1CC2 ZINC001753910908 1188678606 /nfs/dbraw/zinc/67/86/06/1188678606.db2.gz GLHAVUKBPBTJME-NCOMBOHZSA-N 1 3 301.818 0.147 20 0 DCADHO COc1nccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCN2C)n1 ZINC001753953462 1188695080 /nfs/dbraw/zinc/69/50/80/1188695080.db2.gz NLIYXGFXPYERIX-OCCSQVGLSA-N 1 3 321.425 0.564 20 0 DCADHO C[C@@H](C[NH2+]CCn1cccn1)NC(=O)CN(C)CC(C)(C)C ZINC001754283491 1188808481 /nfs/dbraw/zinc/80/84/81/1188808481.db2.gz COPHCCBWTQENIY-AWEZNQCLSA-N 1 3 309.458 0.955 20 0 DCADHO CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001754753734 1188921708 /nfs/dbraw/zinc/92/17/08/1188921708.db2.gz JDTFWWOCZWIXLC-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001754753734 1188921709 /nfs/dbraw/zinc/92/17/09/1188921709.db2.gz JDTFWWOCZWIXLC-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001755015003 1188996924 /nfs/dbraw/zinc/99/69/24/1188996924.db2.gz WPRZOEADUYTHKW-IHVVCDCBSA-N 1 3 303.834 0.898 20 0 DCADHO CN(CC(=O)N1CCC[C@@](CO)([NH2+]CCCF)C1)C1CCC1 ZINC001755085484 1189017750 /nfs/dbraw/zinc/01/77/50/1189017750.db2.gz HIHMIYFNEAGVRX-MRXNPFEDSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001755236556 1189062304 /nfs/dbraw/zinc/06/23/04/1189062304.db2.gz HQAJTRFTQMBANV-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C ZINC001759663210 1190256548 /nfs/dbraw/zinc/25/65/48/1190256548.db2.gz VQECOBULWFNDHE-HSBSLETESA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C ZINC001759663210 1190256552 /nfs/dbraw/zinc/25/65/52/1190256552.db2.gz VQECOBULWFNDHE-HSBSLETESA-N 1 3 324.469 0.600 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456465 1190408281 /nfs/dbraw/zinc/40/82/81/1190408281.db2.gz RJVVWDSILAYZPN-GXTWGEPZSA-N 1 3 311.386 0.472 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456465 1190408287 /nfs/dbraw/zinc/40/82/87/1190408287.db2.gz RJVVWDSILAYZPN-GXTWGEPZSA-N 1 3 311.386 0.472 20 0 DCADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456465 1190408289 /nfs/dbraw/zinc/40/82/89/1190408289.db2.gz RJVVWDSILAYZPN-GXTWGEPZSA-N 1 3 311.386 0.472 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CNCCO1)c1cccnc1 ZINC001772063554 1190602493 /nfs/dbraw/zinc/60/24/93/1190602493.db2.gz LHEGHERLGHFZFX-HUUCEWRRSA-N 1 3 321.425 0.362 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001772260508 1190646456 /nfs/dbraw/zinc/64/64/56/1190646456.db2.gz FCRMTJLERWULIB-DGCLKSJQSA-N 1 3 305.378 0.746 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CCCCN3CCO)[C@H]2C1 ZINC001772437472 1190683368 /nfs/dbraw/zinc/68/33/68/1190683368.db2.gz VLXDSMXOBCKOON-VGWMRTNUSA-N 1 3 324.469 0.473 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CCCCN3CCO)[C@H]2C1 ZINC001772437472 1190683371 /nfs/dbraw/zinc/68/33/71/1190683371.db2.gz VLXDSMXOBCKOON-VGWMRTNUSA-N 1 3 324.469 0.473 20 0 DCADHO Cc1cccc(OC[C@@H](O)C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000397496148 1190703659 /nfs/dbraw/zinc/70/36/59/1190703659.db2.gz QCQKSGZSPGGZIX-HNNXBMFYSA-N 1 3 308.422 0.781 20 0 DCADHO Nc1cc[nH+]c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745696 720605725 /nfs/dbraw/zinc/60/57/25/720605725.db2.gz VOLOMGGNGNSGIR-KBPBESRZSA-N 1 3 312.377 0.796 20 0 DCADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc2c(n1)CNC2 ZINC001164922353 721862674 /nfs/dbraw/zinc/86/26/74/721862674.db2.gz FWTIZXCFVOOQMW-GJZGRUSLSA-N 1 3 302.426 0.294 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475578 751413008 /nfs/dbraw/zinc/41/30/08/751413008.db2.gz VZOLGSSZTQIQJL-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](CCO)CC(C)(C)C2)C1 ZINC001089490829 751417667 /nfs/dbraw/zinc/41/76/67/751417667.db2.gz GAJXJKQJSNZFLZ-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](CCO)CC(C)(C)C2)C1 ZINC001089490829 751417672 /nfs/dbraw/zinc/41/76/72/751417672.db2.gz GAJXJKQJSNZFLZ-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNCCF)CC1 ZINC001127570703 751514689 /nfs/dbraw/zinc/51/46/89/751514689.db2.gz CWUYTDXGEONPIE-KGLIPLIRSA-N 1 3 301.406 0.409 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C)C2)CC[N@@H+]1C ZINC001127689942 751637135 /nfs/dbraw/zinc/63/71/35/751637135.db2.gz CUUAQEFFAOANQX-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCC[C@@H](C)C2)CC[N@H+]1C ZINC001127689942 751637141 /nfs/dbraw/zinc/63/71/41/751637141.db2.gz CUUAQEFFAOANQX-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO COC(=O)CCN1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H](C)C1 ZINC001578807595 1165122797 /nfs/dbraw/zinc/12/27/97/1165122797.db2.gz OHRNCRWJIALQDM-KBPBESRZSA-N 1 3 311.426 0.077 20 0 DCADHO Cc1c(F)cccc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238878654 752041476 /nfs/dbraw/zinc/04/14/76/752041476.db2.gz JGYJAHMCZVSTNY-UHFFFAOYSA-N 1 3 303.403 0.741 20 0 DCADHO O=C(NCCNCc1ccsc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786257 752090628 /nfs/dbraw/zinc/09/06/28/752090628.db2.gz WXXDZXQZCWQDHQ-UONOGXRCSA-N 1 3 309.435 0.817 20 0 DCADHO O=C(NCCNCc1ccsc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786257 752090635 /nfs/dbraw/zinc/09/06/35/752090635.db2.gz WXXDZXQZCWQDHQ-UONOGXRCSA-N 1 3 309.435 0.817 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001167223847 747025865 /nfs/dbraw/zinc/02/58/65/747025865.db2.gz BMXFEMNJMVBTNY-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104288356 747098523 /nfs/dbraw/zinc/09/85/23/747098523.db2.gz WUDLCLMGZQPWEV-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167481091 747279127 /nfs/dbraw/zinc/27/91/27/747279127.db2.gz ZWCVXDREKJIJRO-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001167627915 747436559 /nfs/dbraw/zinc/43/65/59/747436559.db2.gz UNMYNAZIGKRBFQ-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167636264 747439948 /nfs/dbraw/zinc/43/99/48/747439948.db2.gz QQKSPXHVOVFJIU-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO COCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213859513 748205538 /nfs/dbraw/zinc/20/55/38/748205538.db2.gz DZKYZKKZSARGCC-RRFJBIMHSA-N 1 3 313.442 0.180 20 0 DCADHO COCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213859513 748205545 /nfs/dbraw/zinc/20/55/45/748205545.db2.gz DZKYZKKZSARGCC-RRFJBIMHSA-N 1 3 313.442 0.180 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001112531431 748363822 /nfs/dbraw/zinc/36/38/22/748363822.db2.gz XOZVOLOIMIEEDB-ZQIUZPCESA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCN1CCO ZINC001087575869 748985678 /nfs/dbraw/zinc/98/56/78/748985678.db2.gz AAFOOOOULCQRKX-DZGCQCFKSA-N 1 3 323.441 0.020 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)c1 ZINC001086557782 761908031 /nfs/dbraw/zinc/90/80/31/761908031.db2.gz DYUMQKAIJIFKRQ-CTYIDZIISA-N 1 3 318.421 0.332 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCn1cncn1 ZINC001087828207 749069647 /nfs/dbraw/zinc/06/96/47/749069647.db2.gz DMHSLCSWPKFJNB-SOUVJXGZSA-N 1 3 320.441 0.199 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCn1cncn1 ZINC001087828207 749069650 /nfs/dbraw/zinc/06/96/50/749069650.db2.gz DMHSLCSWPKFJNB-SOUVJXGZSA-N 1 3 320.441 0.199 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1)C1CCC1 ZINC001087994788 749180054 /nfs/dbraw/zinc/18/00/54/749180054.db2.gz BZWOXQBJSJSFKT-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1)C1CCC1 ZINC001087994788 749180059 /nfs/dbraw/zinc/18/00/59/749180059.db2.gz BZWOXQBJSJSFKT-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088329882 749372444 /nfs/dbraw/zinc/37/24/44/749372444.db2.gz JRMAVDGQIXTKQH-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088329882 749372446 /nfs/dbraw/zinc/37/24/46/749372446.db2.gz JRMAVDGQIXTKQH-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912479 750724013 /nfs/dbraw/zinc/72/40/13/750724013.db2.gz AFUIFYLHYBUZDE-NFAWXSAZSA-N 1 3 323.441 0.018 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254923 750933123 /nfs/dbraw/zinc/93/31/23/750933123.db2.gz GRTHRSACZAPRGO-HOCLYGCPSA-N 1 3 319.453 0.809 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254923 750933126 /nfs/dbraw/zinc/93/31/26/750933126.db2.gz GRTHRSACZAPRGO-HOCLYGCPSA-N 1 3 319.453 0.809 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCC1 ZINC001127256040 750939407 /nfs/dbraw/zinc/93/94/07/750939407.db2.gz MCBJEYXKVFLXIH-GJZGRUSLSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCC1 ZINC001127256040 750939410 /nfs/dbraw/zinc/93/94/10/750939410.db2.gz MCBJEYXKVFLXIH-GJZGRUSLSA-N 1 3 322.453 0.189 20 0 DCADHO CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780414 751012699 /nfs/dbraw/zinc/01/26/99/751012699.db2.gz VDMSMHUPHXUTSM-UKRRQHHQSA-N 1 3 320.441 0.503 20 0 DCADHO CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780414 751012707 /nfs/dbraw/zinc/01/27/07/751012707.db2.gz VDMSMHUPHXUTSM-UKRRQHHQSA-N 1 3 320.441 0.503 20 0 DCADHO CC(C)(C(=O)NCC[NH2+]CCN1CCCC1=O)N1CCCCC1 ZINC001127317335 751095287 /nfs/dbraw/zinc/09/52/87/751095287.db2.gz OXXQSLUGGNKKLS-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001106599845 751199443 /nfs/dbraw/zinc/19/94/43/751199443.db2.gz PIQLNVYGHQJDMH-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106663170 751219169 /nfs/dbraw/zinc/21/91/69/751219169.db2.gz UMAGUJSFYXNWPN-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751119 752858999 /nfs/dbraw/zinc/85/89/99/752858999.db2.gz QODARBNXJSDCEN-STQMWFEESA-N 1 3 316.409 0.855 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044756974 752861178 /nfs/dbraw/zinc/86/11/78/752861178.db2.gz SAMZHZAAMSVBPH-ZIAGYGMSSA-N 1 3 316.409 0.818 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C[C@@H]2C)CC1 ZINC001044790123 752876226 /nfs/dbraw/zinc/87/62/26/752876226.db2.gz BOSLCGHKSTZDEW-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001045067958 753031822 /nfs/dbraw/zinc/03/18/22/753031822.db2.gz WTGLTEXJVNKKJZ-ZFWWWQNUSA-N 1 3 320.441 0.236 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C ZINC001045093347 753043597 /nfs/dbraw/zinc/04/35/97/753043597.db2.gz VPCRQVNYBJAOKA-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC001045093348 753043683 /nfs/dbraw/zinc/04/36/83/753043683.db2.gz VPCRQVNYBJAOKA-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001045200497 753087737 /nfs/dbraw/zinc/08/77/37/753087737.db2.gz DCHYUWFPIHWSKX-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078197628 753102765 /nfs/dbraw/zinc/10/27/65/753102765.db2.gz KZSIOEHHTSWPQL-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001045312066 753141872 /nfs/dbraw/zinc/14/18/72/753141872.db2.gz VOTAZAMDBJJJRQ-STQMWFEESA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001045312066 753141875 /nfs/dbraw/zinc/14/18/75/753141875.db2.gz VOTAZAMDBJJJRQ-STQMWFEESA-N 1 3 306.414 0.145 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046010073 753412515 /nfs/dbraw/zinc/41/25/15/753412515.db2.gz HVSVLYYTZKLQNG-DLBZAZTESA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046010073 753412518 /nfs/dbraw/zinc/41/25/18/753412518.db2.gz HVSVLYYTZKLQNG-DLBZAZTESA-N 1 3 320.481 0.709 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001114997003 753705816 /nfs/dbraw/zinc/70/58/16/753705816.db2.gz HLBQHEVNCRBLLB-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001114997003 753705823 /nfs/dbraw/zinc/70/58/23/753705823.db2.gz HLBQHEVNCRBLLB-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001046895696 754006115 /nfs/dbraw/zinc/00/61/15/754006115.db2.gz ZPEAEUQMAOWISJ-YOEHRIQHSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066976 754598874 /nfs/dbraw/zinc/59/88/74/754598874.db2.gz QMIGXRSTDXLIJT-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001048391854 754735771 /nfs/dbraw/zinc/73/57/71/754735771.db2.gz HQNLXIWPXYQKHN-STQMWFEESA-N 1 3 316.409 0.570 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001049083812 755109022 /nfs/dbraw/zinc/10/90/22/755109022.db2.gz UPHSGUPPEAOMBA-KFWWJZLASA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2C1 ZINC001049083812 755109024 /nfs/dbraw/zinc/10/90/24/755109024.db2.gz UPHSGUPPEAOMBA-KFWWJZLASA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001049083813 755109095 /nfs/dbraw/zinc/10/90/95/755109095.db2.gz UPHSGUPPEAOMBA-SOUVJXGZSA-N 1 3 318.421 0.769 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2C1 ZINC001049083813 755109096 /nfs/dbraw/zinc/10/90/96/755109096.db2.gz UPHSGUPPEAOMBA-SOUVJXGZSA-N 1 3 318.421 0.769 20 0 DCADHO CNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680888 755776860 /nfs/dbraw/zinc/77/68/60/755776860.db2.gz XFIMHBFYVDWKMJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680891 755777578 /nfs/dbraw/zinc/77/75/78/755777578.db2.gz XFIMHBFYVDWKMJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001054734092 756619896 /nfs/dbraw/zinc/61/98/96/756619896.db2.gz AEGITLLOOYNCPB-GOEBONIOSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082448660 757135451 /nfs/dbraw/zinc/13/54/51/757135451.db2.gz YLAOQKAYDWMEOC-BPLDGKMQSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC001082766728 757261853 /nfs/dbraw/zinc/26/18/53/757261853.db2.gz VMKIPKZXPFXRNQ-UMVBOHGHSA-N 1 3 306.410 0.815 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cnn(C)c1 ZINC001082861695 757302220 /nfs/dbraw/zinc/30/22/20/757302220.db2.gz LPQJZONGHFDUGA-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cnn(C)c1 ZINC001082861695 757302227 /nfs/dbraw/zinc/30/22/27/757302227.db2.gz LPQJZONGHFDUGA-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)[NH+]1CCCCC1 ZINC001082943864 757341508 /nfs/dbraw/zinc/34/15/08/757341508.db2.gz LQGMVRQWARLAST-IIAWOOMASA-N 1 3 324.469 0.419 20 0 DCADHO CN(CC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001050221601 757503108 /nfs/dbraw/zinc/50/31/08/757503108.db2.gz HVFZYDBFTXEOOY-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(N1C[C@H]2CCN(CCCO)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001084442431 757863872 /nfs/dbraw/zinc/86/38/72/757863872.db2.gz GEGKFBXVRBGXNP-HZPDHXFCSA-N 1 3 321.465 0.778 20 0 DCADHO COCC[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050662701 757941692 /nfs/dbraw/zinc/94/16/92/757941692.db2.gz MOKHNYYVZXQIMM-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nncc3c2OCCN3C)O1 ZINC001170271460 762587391 /nfs/dbraw/zinc/58/73/91/762587391.db2.gz ACUUJQCCTGRELO-JMSVASOKSA-N 1 3 323.397 0.442 20 0 DCADHO CN1CC(CNc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)C1 ZINC001170254770 762592351 /nfs/dbraw/zinc/59/23/51/762592351.db2.gz RNTUWIQARXGOOG-HNNXBMFYSA-N 1 3 300.406 0.811 20 0 DCADHO COCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782635 759304653 /nfs/dbraw/zinc/30/46/53/759304653.db2.gz ZQJCONIKFIXOCY-GJZGRUSLSA-N 1 3 313.442 0.275 20 0 DCADHO COCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085782635 759304662 /nfs/dbraw/zinc/30/46/62/759304662.db2.gz ZQJCONIKFIXOCY-GJZGRUSLSA-N 1 3 313.442 0.275 20 0 DCADHO COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001085782635 759304666 /nfs/dbraw/zinc/30/46/66/759304666.db2.gz ZQJCONIKFIXOCY-GJZGRUSLSA-N 1 3 313.442 0.275 20 0 DCADHO COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001085782635 759304673 /nfs/dbraw/zinc/30/46/73/759304673.db2.gz ZQJCONIKFIXOCY-GJZGRUSLSA-N 1 3 313.442 0.275 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001147824697 767853111 /nfs/dbraw/zinc/85/31/11/767853111.db2.gz MHTWMDYUNSGYGD-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO NC(=O)CN1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531815 759477543 /nfs/dbraw/zinc/47/75/43/759477543.db2.gz PORHKNYFCAFLJY-ZDUSSCGKSA-N 1 3 315.377 0.404 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877922 767870478 /nfs/dbraw/zinc/87/04/78/767870478.db2.gz POCSIRLTPRWKDB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877922 767870486 /nfs/dbraw/zinc/87/04/86/767870486.db2.gz POCSIRLTPRWKDB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147899963 767879005 /nfs/dbraw/zinc/87/90/05/767879005.db2.gz FASPPSQCWUNJMM-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147899963 767879015 /nfs/dbraw/zinc/87/90/15/767879015.db2.gz FASPPSQCWUNJMM-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001066493920 760036172 /nfs/dbraw/zinc/03/61/72/760036172.db2.gz HRPZHVWJEHGXRT-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@H]1C[C@H]([NH2+]CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086431747 760182572 /nfs/dbraw/zinc/18/25/72/760182572.db2.gz BOQYRNINODNJLG-MYPHYYIGSA-N 1 3 319.449 0.744 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOCC)C[C@H]1O ZINC001100084268 760189071 /nfs/dbraw/zinc/18/90/71/760189071.db2.gz ZHKYOPMOQWOXNG-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOCC)C[C@H]1O ZINC001100084268 760189069 /nfs/dbraw/zinc/18/90/69/760189069.db2.gz ZHKYOPMOQWOXNG-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(CCn1cccn1)C2 ZINC001148168782 767928812 /nfs/dbraw/zinc/92/88/12/767928812.db2.gz XLCLYIHFWDXQBY-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCN2CCCN(C)CC2)CO1 ZINC001169335402 760650424 /nfs/dbraw/zinc/65/04/24/760650424.db2.gz RPWJKOIYHOIHHY-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO CC(=O)N1CC[C@@H](N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)C1 ZINC001169509760 760701503 /nfs/dbraw/zinc/70/15/03/760701503.db2.gz IENLXEZIMFYWFW-CHWSQXEVSA-N 1 3 314.430 0.787 20 0 DCADHO CN(C)c1cc(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)ccn1 ZINC001129351996 760951605 /nfs/dbraw/zinc/95/16/05/760951605.db2.gz SWAGYXQNPRCLNX-UHFFFAOYSA-N 1 3 319.453 0.838 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCn2cc(Cl)cn2)CCC1 ZINC001129358890 761004574 /nfs/dbraw/zinc/00/45/74/761004574.db2.gz XOYSGMBENRVOKX-UHFFFAOYSA-N 1 3 313.833 0.727 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001070217765 761141306 /nfs/dbraw/zinc/14/13/06/761141306.db2.gz RCNJSBPADRCWHK-MCIONIFRSA-N 1 3 308.430 0.370 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001148570376 768016871 /nfs/dbraw/zinc/01/68/71/768016871.db2.gz BXOVHEXRMXZLLZ-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001148570376 768016875 /nfs/dbraw/zinc/01/68/75/768016875.db2.gz BXOVHEXRMXZLLZ-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001148577848 768019274 /nfs/dbraw/zinc/01/92/74/768019274.db2.gz GLXKTQJFGJTRDL-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001148577848 768019278 /nfs/dbraw/zinc/01/92/78/768019278.db2.gz GLXKTQJFGJTRDL-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N(CC)C1CC1 ZINC001148578904 768020320 /nfs/dbraw/zinc/02/03/20/768020320.db2.gz XLYGTISGZWMORU-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N(CC)C1CC1 ZINC001148578904 768020322 /nfs/dbraw/zinc/02/03/22/768020322.db2.gz XLYGTISGZWMORU-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070529716 761295276 /nfs/dbraw/zinc/29/52/76/761295276.db2.gz DGARACIMGAUPQJ-NUEKZKHPSA-N 1 3 321.469 0.910 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001148655626 768025445 /nfs/dbraw/zinc/02/54/45/768025445.db2.gz QDSHMUYTVLJYFH-CYBMUJFWSA-N 1 3 300.447 0.289 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001070695328 761400819 /nfs/dbraw/zinc/40/08/19/761400819.db2.gz YZVQRWYEVFBWHA-ZIAGYGMSSA-N 1 3 316.409 0.678 20 0 DCADHO CN(CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO)c1cc[nH+]cc1 ZINC001109470657 761432620 /nfs/dbraw/zinc/43/26/20/761432620.db2.gz HGCACJJCNWLUDA-PMPSAXMXSA-N 1 3 318.421 0.622 20 0 DCADHO Cn1nccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674046 761506083 /nfs/dbraw/zinc/50/60/83/761506083.db2.gz YKDFIYJHHHVRLG-PMPSAXMXSA-N 1 3 319.453 0.636 20 0 DCADHO CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982799 761634612 /nfs/dbraw/zinc/63/46/12/761634612.db2.gz SCXGSFHHDUUFJJ-ILXRZTDVSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982554 761635163 /nfs/dbraw/zinc/63/51/63/761635163.db2.gz IQDLKSPJRCEEFT-WCVJEAGWSA-N 1 3 321.465 0.965 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](n2cc(CNCC3CC3)nn2)C1 ZINC001098722552 762715203 /nfs/dbraw/zinc/71/52/03/762715203.db2.gz NYZVVYQCXHOESB-HNNXBMFYSA-N 1 3 320.441 0.503 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001129422313 762935088 /nfs/dbraw/zinc/93/50/88/762935088.db2.gz HGSULCMXXDBMBC-KGLIPLIRSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001129422313 762935091 /nfs/dbraw/zinc/93/50/91/762935091.db2.gz HGSULCMXXDBMBC-KGLIPLIRSA-N 1 3 310.442 0.234 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)n1 ZINC001129444343 762936372 /nfs/dbraw/zinc/93/63/72/762936372.db2.gz RPSMZFHNPIYQDI-OAHLLOKOSA-N 1 3 307.442 0.546 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)C(=O)N1CCCCC1 ZINC001129449900 762937878 /nfs/dbraw/zinc/93/78/78/762937878.db2.gz RNIREWUBSMSEBI-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449192 762938275 /nfs/dbraw/zinc/93/82/75/762938275.db2.gz KXXAVWHADFOQBO-IUODEOHRSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NC1CCCC1)C1CC1 ZINC001129435633 762941835 /nfs/dbraw/zinc/94/18/35/762941835.db2.gz IEPPNCKAJRYUJN-OAHLLOKOSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCCO[C@@H]1CCOC1)C1CCC1 ZINC001129534912 762960317 /nfs/dbraw/zinc/96/03/17/762960317.db2.gz DASQLSYFQIEMLV-OAHLLOKOSA-N 1 3 313.442 0.372 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535053 762960372 /nfs/dbraw/zinc/96/03/72/762960372.db2.gz HPMQRIXAFLHBPT-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001129846227 763022557 /nfs/dbraw/zinc/02/25/57/763022557.db2.gz OCHDKADRFZHCDY-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001129846227 763022561 /nfs/dbraw/zinc/02/25/61/763022561.db2.gz OCHDKADRFZHCDY-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129842348 763023290 /nfs/dbraw/zinc/02/32/90/763023290.db2.gz WQSKKPBEXBDTDW-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129842348 763023293 /nfs/dbraw/zinc/02/32/93/763023293.db2.gz WQSKKPBEXBDTDW-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC1CC1 ZINC001129855582 763024408 /nfs/dbraw/zinc/02/44/08/763024408.db2.gz HIYIAUZERBVQOK-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)NC1CC1 ZINC001129855582 763024410 /nfs/dbraw/zinc/02/44/10/763024410.db2.gz HIYIAUZERBVQOK-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001129856196 763026125 /nfs/dbraw/zinc/02/61/25/763026125.db2.gz OEIZKHRHIACOKR-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001129856196 763026128 /nfs/dbraw/zinc/02/61/28/763026128.db2.gz OEIZKHRHIACOKR-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129840420 763030007 /nfs/dbraw/zinc/03/00/07/763030007.db2.gz GAEKEDFXHISHLK-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129840420 763030010 /nfs/dbraw/zinc/03/00/10/763030010.db2.gz GAEKEDFXHISHLK-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186352 763164579 /nfs/dbraw/zinc/16/45/79/763164579.db2.gz GQYWNAIUJSBFPD-DZGCQCFKSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186352 763164580 /nfs/dbraw/zinc/16/45/80/763164580.db2.gz GQYWNAIUJSBFPD-DZGCQCFKSA-N 1 3 305.426 0.643 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186562 763166688 /nfs/dbraw/zinc/16/66/88/763166688.db2.gz ISJAPANUMDBBEQ-HZPDHXFCSA-N 1 3 319.453 0.951 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186562 763166694 /nfs/dbraw/zinc/16/66/94/763166694.db2.gz ISJAPANUMDBBEQ-HZPDHXFCSA-N 1 3 319.453 0.951 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1O ZINC001100081077 763291855 /nfs/dbraw/zinc/29/18/55/763291855.db2.gz PAMLRFOZCFOBEX-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1O ZINC001100081077 763291862 /nfs/dbraw/zinc/29/18/62/763291862.db2.gz PAMLRFOZCFOBEX-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100408165 763557397 /nfs/dbraw/zinc/55/73/97/763557397.db2.gz XCYWYPOHHZLCFL-PXCJXSSVSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCn2cncn2)C1)C1CC1 ZINC001100407832 763558117 /nfs/dbraw/zinc/55/81/17/763558117.db2.gz LDFDHNIMGXMTIY-ZALBZXLWSA-N 1 3 320.441 0.103 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCn2cncn2)C1)C1CC1 ZINC001100407831 763558194 /nfs/dbraw/zinc/55/81/94/763558194.db2.gz LDFDHNIMGXMTIY-PESDSKBTSA-N 1 3 320.441 0.103 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001100411624 763562370 /nfs/dbraw/zinc/56/23/70/763562370.db2.gz JSVIHPDGVRJWIW-PIMMBPRGSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](Nc1ncc(F)c(C2CC[NH2+]CC2)n1)[C@H]1CNCCO1 ZINC001170561394 763820954 /nfs/dbraw/zinc/82/09/54/763820954.db2.gz DWGQCLWHPNQOFP-ZWNOBZJWSA-N 1 3 309.389 0.872 20 0 DCADHO C[C@@H](Nc1ccc(OCC[NH+]2CCCC2)nn1)[C@@H]1CNCCO1 ZINC001170562368 763828308 /nfs/dbraw/zinc/82/83/08/763828308.db2.gz ITPABEYIIXWLDZ-KGLIPLIRSA-N 1 3 321.425 0.740 20 0 DCADHO CCC(CC)C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521602 763845930 /nfs/dbraw/zinc/84/59/30/763845930.db2.gz CORXBWUJPOSEQZ-ISXOHVOVSA-N 1 3 309.454 0.992 20 0 DCADHO O=C(NCC[NH2+]C[C@@H]1CCCCO1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521583 763846359 /nfs/dbraw/zinc/84/63/59/763846359.db2.gz BZJURFHWENCGKG-KRIMKBQASA-N 1 3 323.437 0.125 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCc2cnn(C)c2)C1 ZINC001101035933 763930572 /nfs/dbraw/zinc/93/05/72/763930572.db2.gz FJKQMZDIUPSUNK-UHFFFAOYSA-N 1 3 321.469 0.787 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790219 764014691 /nfs/dbraw/zinc/01/46/91/764014691.db2.gz IXQOLVRDYNOPLY-INIZCTEOSA-N 1 3 319.453 0.809 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786294 764031714 /nfs/dbraw/zinc/03/17/14/764031714.db2.gz MGKFKMNNQUPTCT-OAHLLOKOSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN[C@@H]2CCCNC2=O)CCCCC1 ZINC001131799807 764035682 /nfs/dbraw/zinc/03/56/82/764035682.db2.gz WGLQEKBTYWBSIK-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799591 764036556 /nfs/dbraw/zinc/03/65/56/764036556.db2.gz SJOAIJSMZGASQN-ZDUSSCGKSA-N 1 3 320.437 0.245 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@H](C)O)C[C@@]2(C)C1 ZINC001101285344 764038239 /nfs/dbraw/zinc/03/82/39/764038239.db2.gz ZMXLVUKIFKQMAZ-VBQJREDUSA-N 1 3 311.470 0.878 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](C[C@H](C)O)C[C@@]2(C)C1 ZINC001101285344 764038243 /nfs/dbraw/zinc/03/82/43/764038243.db2.gz ZMXLVUKIFKQMAZ-VBQJREDUSA-N 1 3 311.470 0.878 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001102103063 764525337 /nfs/dbraw/zinc/52/53/37/764525337.db2.gz AHCPRNLMDKKDIQ-CHWSQXEVSA-N 1 3 312.458 0.147 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001102103063 764525344 /nfs/dbraw/zinc/52/53/44/764525344.db2.gz AHCPRNLMDKKDIQ-CHWSQXEVSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288746 764578438 /nfs/dbraw/zinc/57/84/38/764578438.db2.gz SYXAEMHAMAIVFG-ZIAGYGMSSA-N 1 3 324.469 0.101 20 0 DCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102577852 764709154 /nfs/dbraw/zinc/70/91/54/764709154.db2.gz AAQVQZLKCAXEIY-RBSFLKMASA-N 1 3 324.469 0.147 20 0 DCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102577852 764709156 /nfs/dbraw/zinc/70/91/56/764709156.db2.gz AAQVQZLKCAXEIY-RBSFLKMASA-N 1 3 324.469 0.147 20 0 DCADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132889138 764710219 /nfs/dbraw/zinc/71/02/19/764710219.db2.gz XFXWBZYNHQAFFK-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001132892880 764712346 /nfs/dbraw/zinc/71/23/46/764712346.db2.gz DQGXMIDIWBPLHC-GUTXKFCHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001132892880 764712353 /nfs/dbraw/zinc/71/23/53/764712353.db2.gz DQGXMIDIWBPLHC-GUTXKFCHSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994795 764782703 /nfs/dbraw/zinc/78/27/03/764782703.db2.gz BXWZQKCLKQLSRD-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)CCC[NH+](C)C)C1 ZINC001133040509 764799831 /nfs/dbraw/zinc/79/98/31/764799831.db2.gz UNWBTTAAEFJKCT-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285959 764906188 /nfs/dbraw/zinc/90/61/88/764906188.db2.gz PTCCBKYQWMAPNK-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCc1ccc(F)cc1 ZINC001133294559 764911610 /nfs/dbraw/zinc/91/16/10/764911610.db2.gz NFNPTIJEWRPWIR-UHFFFAOYSA-N 1 3 324.400 0.099 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083793 764938367 /nfs/dbraw/zinc/93/83/67/764938367.db2.gz JPSYBIVDRQJVIT-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083793 764938370 /nfs/dbraw/zinc/93/83/70/764938370.db2.gz JPSYBIVDRQJVIT-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088542 764939898 /nfs/dbraw/zinc/93/98/98/764939898.db2.gz HEUPKNLZPCEDPO-BMFZPTHFSA-N 1 3 311.470 0.783 20 0 DCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103088542 764939905 /nfs/dbraw/zinc/93/99/05/764939905.db2.gz HEUPKNLZPCEDPO-BMFZPTHFSA-N 1 3 311.470 0.783 20 0 DCADHO CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103250019 764994007 /nfs/dbraw/zinc/99/40/07/764994007.db2.gz YATUGKCQSBWIKJ-HCBPCCMXSA-N 1 3 321.465 0.944 20 0 DCADHO CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001103250019 764994009 /nfs/dbraw/zinc/99/40/09/764994009.db2.gz YATUGKCQSBWIKJ-HCBPCCMXSA-N 1 3 321.465 0.944 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C)N(C)C ZINC001103444717 765057663 /nfs/dbraw/zinc/05/76/63/765057663.db2.gz HCQJYXWTYBKAKF-MCIONIFRSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C)N(C)C ZINC001103444717 765057667 /nfs/dbraw/zinc/05/76/67/765057667.db2.gz HCQJYXWTYBKAKF-MCIONIFRSA-N 1 3 312.458 0.147 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133689902 765095923 /nfs/dbraw/zinc/09/59/23/765095923.db2.gz FALJOKJTUUYMLH-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC1CC1)[NH+](CC)CC ZINC001133690456 765096143 /nfs/dbraw/zinc/09/61/43/765096143.db2.gz MDZUDFJBEQRYPF-GXTWGEPZSA-N 1 3 312.458 0.480 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)CN2CCC[C@H]2C)cn1 ZINC001133819889 765150985 /nfs/dbraw/zinc/15/09/85/765150985.db2.gz QLRBGAGEMSOGBB-CQSZACIVSA-N 1 3 307.442 0.636 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834140 765164327 /nfs/dbraw/zinc/16/43/27/765164327.db2.gz OXGAHSLMLCCHHQ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834140 765164329 /nfs/dbraw/zinc/16/43/29/765164329.db2.gz OXGAHSLMLCCHHQ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C)C1CC1 ZINC001133834203 765164934 /nfs/dbraw/zinc/16/49/34/765164934.db2.gz QPPIDIBGYYCRFO-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C)C1CC1 ZINC001133834203 765164937 /nfs/dbraw/zinc/16/49/37/765164937.db2.gz QPPIDIBGYYCRFO-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133850951 765170703 /nfs/dbraw/zinc/17/07/03/765170703.db2.gz SBVGYTXZQQIERS-LSDHHAIUSA-N 1 3 315.458 0.068 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001133850153 765182628 /nfs/dbraw/zinc/18/26/28/765182628.db2.gz KHBJRDVINSRUJK-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO CCOCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133857008 765183844 /nfs/dbraw/zinc/18/38/44/765183844.db2.gz YXQRBDXXXAHRSC-HNNXBMFYSA-N 1 3 303.422 0.941 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001133896202 765215500 /nfs/dbraw/zinc/21/55/00/765215500.db2.gz DXZXNHKAGIWKLL-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C(N)C(F)(F)F)C1 ZINC001159134721 765458915 /nfs/dbraw/zinc/45/89/15/765458915.db2.gz OWRQPPONGMQBHW-GXSJLCMTSA-N 1 3 319.331 0.293 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583359 765581174 /nfs/dbraw/zinc/58/11/74/765581174.db2.gz JPRCMQPQBHZIQQ-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001115151511 765608866 /nfs/dbraw/zinc/60/88/66/765608866.db2.gz HEYOPVAIQMGLCV-FOLVSLTJSA-N 1 3 305.426 0.271 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21 ZINC001115151511 765608869 /nfs/dbraw/zinc/60/88/69/765608869.db2.gz HEYOPVAIQMGLCV-FOLVSLTJSA-N 1 3 305.426 0.271 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CCC4)C[C@H]32)C1 ZINC001115241473 765656886 /nfs/dbraw/zinc/65/68/86/765656886.db2.gz ILNBEJVRFQXYAA-NCOADZHNSA-N 1 3 321.465 0.801 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCOCC4CCC4)C[C@H]32)C1 ZINC001115241473 765656895 /nfs/dbraw/zinc/65/68/95/765656895.db2.gz ILNBEJVRFQXYAA-NCOADZHNSA-N 1 3 321.465 0.801 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134774456 765666881 /nfs/dbraw/zinc/66/68/81/765666881.db2.gz YKKFCTFEXOOOFX-KGLIPLIRSA-N 1 3 317.474 0.599 20 0 DCADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NC(C)(C)C)CC1 ZINC001134776686 765670743 /nfs/dbraw/zinc/67/07/43/765670743.db2.gz VSTUGCROSWIUCX-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134783231 765672824 /nfs/dbraw/zinc/67/28/24/765672824.db2.gz UDQUOAXQYADZNF-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC1CCCC1 ZINC001124867205 768317880 /nfs/dbraw/zinc/31/78/80/768317880.db2.gz TYHRNOFXTPOAPG-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001135475977 765949871 /nfs/dbraw/zinc/94/98/71/765949871.db2.gz HNPJPWPFJCWTCF-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513297 765967733 /nfs/dbraw/zinc/96/77/33/765967733.db2.gz LOUJWCQTJRNGCC-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001135706345 766062579 /nfs/dbraw/zinc/06/25/79/766062579.db2.gz SSKDABXTYJPBSQ-UONOGXRCSA-N 1 3 303.447 0.210 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135977575 766197711 /nfs/dbraw/zinc/19/77/11/766197711.db2.gz VUXSCKVIRJLZPL-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001135977587 766197851 /nfs/dbraw/zinc/19/78/51/766197851.db2.gz WDOHXZKYKAJDTJ-QWHCGFSZSA-N 1 3 321.487 0.246 20 0 DCADHO C[C@H]1C(=O)NN=C2COc3ccc(N[C@H](N)CCC[NH3+])cc3N21 ZINC001170900203 766250833 /nfs/dbraw/zinc/25/08/33/766250833.db2.gz JMEBBSDVYSLNPD-ZANVPECISA-N 1 3 318.381 0.153 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCCC[NH+](C)C)cn1 ZINC001118385094 766305156 /nfs/dbraw/zinc/30/51/56/766305156.db2.gz WQXXIMRGPJOOSN-HOTGVXAUSA-N 1 3 321.469 0.913 20 0 DCADHO CCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090642232 766410836 /nfs/dbraw/zinc/41/08/36/766410836.db2.gz VXGRKPWANMJPKJ-CVEARBPZSA-N 1 3 305.422 0.933 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119353134 766642092 /nfs/dbraw/zinc/64/20/92/766642092.db2.gz XYRKGIWTYRCZCO-AAVRWANBSA-N 1 3 310.442 0.077 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(N)=[NH2+] ZINC001144142809 766812685 /nfs/dbraw/zinc/81/26/85/766812685.db2.gz ORUZZFGIFIHSKE-AWEZNQCLSA-N 1 3 303.410 0.592 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H](CC(C)C)NC(C)=O ZINC001144699880 767011409 /nfs/dbraw/zinc/01/14/09/767011409.db2.gz HCBXXTDVGMRBOT-CYBMUJFWSA-N 1 3 313.446 0.601 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146356182 767441414 /nfs/dbraw/zinc/44/14/14/767441414.db2.gz NUSPXRGNUIWBRF-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(C)(C)CC ZINC001146709721 767508311 /nfs/dbraw/zinc/50/83/11/767508311.db2.gz BPJXKYIEQBGHKU-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(C)(C)CC ZINC001146709721 767508313 /nfs/dbraw/zinc/50/83/13/767508313.db2.gz BPJXKYIEQBGHKU-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001146719990 767512783 /nfs/dbraw/zinc/51/27/83/767512783.db2.gz ZPJPIWVDSQLBGI-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCCC[C@@H]1C ZINC001146719990 767512786 /nfs/dbraw/zinc/51/27/86/767512786.db2.gz ZPJPIWVDSQLBGI-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001147359915 767724964 /nfs/dbraw/zinc/72/49/64/767724964.db2.gz WVEAJXWMPGKNMX-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001147359915 767724966 /nfs/dbraw/zinc/72/49/66/767724966.db2.gz WVEAJXWMPGKNMX-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204658 768494843 /nfs/dbraw/zinc/49/48/43/768494843.db2.gz YSOWQNOLHFUPIV-OAHLLOKOSA-N 1 3 305.426 0.518 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161204658 768494846 /nfs/dbraw/zinc/49/48/46/768494846.db2.gz YSOWQNOLHFUPIV-OAHLLOKOSA-N 1 3 305.426 0.518 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC001202991895 768504816 /nfs/dbraw/zinc/50/48/16/768504816.db2.gz UDQCPRBVGIHFIG-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219914 768596656 /nfs/dbraw/zinc/59/66/56/768596656.db2.gz QHWHHIYAKNNDOT-LSDHHAIUSA-N 1 3 309.454 0.847 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219914 768596660 /nfs/dbraw/zinc/59/66/60/768596660.db2.gz QHWHHIYAKNNDOT-LSDHHAIUSA-N 1 3 309.454 0.847 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001110150628 768770215 /nfs/dbraw/zinc/77/02/15/768770215.db2.gz HTQUSTUVLLEJEV-PMPSAXMXSA-N 1 3 309.454 0.966 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCCF)CCCO1)C1CC1 ZINC001149847377 768819856 /nfs/dbraw/zinc/81/98/56/768819856.db2.gz DPWXHNHJKMMCTI-CABCVRRESA-N 1 3 315.433 0.893 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCF)CCCO1)C1CC1 ZINC001149847377 768819869 /nfs/dbraw/zinc/81/98/69/768819869.db2.gz DPWXHNHJKMMCTI-CABCVRRESA-N 1 3 315.433 0.893 20 0 DCADHO CCOCCN1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150546815 769120546 /nfs/dbraw/zinc/12/05/46/769120546.db2.gz JKWJJNNLXVCDON-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCOCCN1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150546815 769120550 /nfs/dbraw/zinc/12/05/50/769120550.db2.gz JKWJJNNLXVCDON-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150607228 769138997 /nfs/dbraw/zinc/13/89/97/769138997.db2.gz SEYSFNKJOYMUND-HNNXBMFYSA-N 1 3 315.458 0.308 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)OC)CCCO1 ZINC001150619595 769142747 /nfs/dbraw/zinc/14/27/47/769142747.db2.gz BZAUXTZWQHISEV-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)OC)CCCO1 ZINC001150619595 769142756 /nfs/dbraw/zinc/14/27/56/769142756.db2.gz BZAUXTZWQHISEV-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001151066540 769251351 /nfs/dbraw/zinc/25/13/51/769251351.db2.gz VVACYZZZCJTFCJ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001151066540 769251357 /nfs/dbraw/zinc/25/13/57/769251357.db2.gz VVACYZZZCJTFCJ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001171501034 769310398 /nfs/dbraw/zinc/31/03/98/769310398.db2.gz QADBLHQHHUSEKZ-DZGCQCFKSA-N 1 3 324.473 0.920 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001171762960 769369483 /nfs/dbraw/zinc/36/94/83/769369483.db2.gz OABRGIZCAARUQR-NSHDSACASA-N 1 3 313.364 0.737 20 0 DCADHO CN1CCN(C(=O)CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172106041 769436902 /nfs/dbraw/zinc/43/69/02/769436902.db2.gz MQANEONLLPECEV-PHZGNYQRSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172158100 769446691 /nfs/dbraw/zinc/44/66/91/769446691.db2.gz AYIYKDSOGSZVOR-CVEARBPZSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001152432163 769553220 /nfs/dbraw/zinc/55/32/20/769553220.db2.gz HXBRMMUYDKZITM-ZDUSSCGKSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446270 769559411 /nfs/dbraw/zinc/55/94/11/769559411.db2.gz WBCNWFLSHRLZIO-CHWSQXEVSA-N 1 3 300.447 0.336 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446252 769559533 /nfs/dbraw/zinc/55/95/33/769559533.db2.gz VQLTZQRIZJVLAY-ZDUSSCGKSA-N 1 3 300.447 0.193 20 0 DCADHO CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCCN2CC)C1=O ZINC001152457365 769564019 /nfs/dbraw/zinc/56/40/19/769564019.db2.gz CQAMKBRZFVPDHB-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001152479028 769573300 /nfs/dbraw/zinc/57/33/00/769573300.db2.gz AKLQEYHZUJANSC-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@H+](C)CCCN(C)C)C[C@@H]1C(=O)OC ZINC001173570666 769664012 /nfs/dbraw/zinc/66/40/12/769664012.db2.gz HHHRMUWSGNUJJB-XYYAHUGASA-N 1 3 300.399 0.611 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@@H+](C)CCCN(C)C)C[C@@H]1C(=O)OC ZINC001173570666 769664016 /nfs/dbraw/zinc/66/40/16/769664016.db2.gz HHHRMUWSGNUJJB-XYYAHUGASA-N 1 3 300.399 0.611 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001174691982 769781434 /nfs/dbraw/zinc/78/14/34/769781434.db2.gz OCOYQDQIJCGAEU-UHFFFAOYSA-N 1 3 321.425 0.369 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cccc2c1CC(=O)N2 ZINC001153336294 769789618 /nfs/dbraw/zinc/78/96/18/769789618.db2.gz XDPXQLNDHSUCQZ-UHFFFAOYSA-N 1 3 317.393 0.859 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175255850 769884239 /nfs/dbraw/zinc/88/42/39/769884239.db2.gz HTFCJIZYIDPGKW-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO c1cc2n(c1CN1CCN(C3CC[NH2+]CC3)CC1)CCNC2 ZINC001235697890 769932773 /nfs/dbraw/zinc/93/27/73/769932773.db2.gz CJQDCUUPUIWUAS-UHFFFAOYSA-N 1 3 303.454 0.461 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001175769328 769958940 /nfs/dbraw/zinc/95/89/40/769958940.db2.gz QSTISZACYRPPQK-STQMWFEESA-N 1 3 300.447 0.467 20 0 DCADHO Cc1cnc([C@@H](C)NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001176057503 770026870 /nfs/dbraw/zinc/02/68/70/770026870.db2.gz PFEVPFPBTOFESF-ZIAGYGMSSA-N 1 3 305.426 0.894 20 0 DCADHO Cc1cnc([C@@H](C)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001176057503 770026882 /nfs/dbraw/zinc/02/68/82/770026882.db2.gz PFEVPFPBTOFESF-ZIAGYGMSSA-N 1 3 305.426 0.894 20 0 DCADHO COC(=O)c1cccc([C@H]2C[NH2+]CCN2C[C@@H]2COCCN2)c1 ZINC001237435474 770039101 /nfs/dbraw/zinc/03/91/01/770039101.db2.gz HRJCTUGIVCZZAF-HZPDHXFCSA-N 1 3 319.405 0.408 20 0 DCADHO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2C[C@@H]2CNCCO2)c1 ZINC001237436000 770039241 /nfs/dbraw/zinc/03/92/41/770039241.db2.gz MVNPNTAIEIULAW-HOTGVXAUSA-N 1 3 319.405 0.408 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](CC)C(N)=O ZINC001176285993 770061427 /nfs/dbraw/zinc/06/14/27/770061427.db2.gz SBXLIESWTULUSB-KGLIPLIRSA-N 1 3 314.474 0.857 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN(Cc2cccc3c[nH+]cn32)C1 ZINC001238112201 770096732 /nfs/dbraw/zinc/09/67/32/770096732.db2.gz CDLRMQXTSWJAIH-CQSZACIVSA-N 1 3 315.421 0.977 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cccnc1 ZINC001238243219 770109411 /nfs/dbraw/zinc/10/94/11/770109411.db2.gz SMDWNIGCTWFQNB-LBPRGKRZSA-N 1 3 310.423 0.234 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1cccnc1 ZINC001238243219 770109416 /nfs/dbraw/zinc/10/94/16/770109416.db2.gz SMDWNIGCTWFQNB-LBPRGKRZSA-N 1 3 310.423 0.234 20 0 DCADHO [NH3+]CCCC[NH2+]CCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001238879964 770141519 /nfs/dbraw/zinc/14/15/19/770141519.db2.gz RQFGFLYSFLWSHM-UHFFFAOYSA-N 1 3 321.393 0.962 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCn1cncn1 ZINC001176759870 770168368 /nfs/dbraw/zinc/16/83/68/770168368.db2.gz NEZBJAOMQKDSLZ-HNNXBMFYSA-N 1 3 324.473 0.883 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884289 770209452 /nfs/dbraw/zinc/20/94/52/770209452.db2.gz AFJGWWKOVOTYGG-UHFFFAOYSA-N 1 3 308.430 0.287 20 0 DCADHO CC[NH+](CC)CCCNC(=S)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239452903 770223817 /nfs/dbraw/zinc/22/38/17/770223817.db2.gz SIPUSDUSSAIXCT-NWDGAFQWSA-N 1 3 316.471 0.025 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001176975719 770266329 /nfs/dbraw/zinc/26/63/29/770266329.db2.gz VQPCMKAQTHPMNL-HNNXBMFYSA-N 1 3 315.458 0.618 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986501 770273548 /nfs/dbraw/zinc/27/35/48/770273548.db2.gz PZZSBCSROLVSOF-HNNXBMFYSA-N 1 3 317.474 0.456 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001206654573 770448365 /nfs/dbraw/zinc/44/83/65/770448365.db2.gz ZYBWWNQBBRZDNU-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255596 770451207 /nfs/dbraw/zinc/45/12/07/770451207.db2.gz VMORFBATDKCWOB-KFWWJZLASA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155255596 770451211 /nfs/dbraw/zinc/45/12/11/770451211.db2.gz VMORFBATDKCWOB-KFWWJZLASA-N 1 3 315.458 0.162 20 0 DCADHO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc(Cl)nc3c2CCNC3)N1 ZINC001155573271 770549905 /nfs/dbraw/zinc/54/99/05/770549905.db2.gz BDXZJNRIAMFKBF-BXUZGUMPSA-N 1 3 307.785 0.371 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCCCCC[NH2+]Cc1cnnn1C ZINC001178045201 770598309 /nfs/dbraw/zinc/59/83/09/770598309.db2.gz GIMCIWIIDPUKJD-OAHLLOKOSA-N 1 3 322.457 0.676 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178891014 770890782 /nfs/dbraw/zinc/89/07/82/770890782.db2.gz LYVCDZBREYKPAN-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891014 770890789 /nfs/dbraw/zinc/89/07/89/770890789.db2.gz LYVCDZBREYKPAN-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)[C@@H]1C)N(C)C ZINC001178985702 770922047 /nfs/dbraw/zinc/92/20/47/770922047.db2.gz UYQMOWYNAPOQJN-PAPYEOQZSA-N 1 3 324.469 0.573 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C)N(C)C ZINC001178990163 770922734 /nfs/dbraw/zinc/92/27/34/770922734.db2.gz KTZIGYINPFNYOT-FPMFFAJLSA-N 1 3 310.442 0.184 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001179209902 770964269 /nfs/dbraw/zinc/96/42/69/770964269.db2.gz RTXCPDFRGYHZOY-NOLJZWGESA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001179983356 771043337 /nfs/dbraw/zinc/04/33/37/771043337.db2.gz XQCOYYVXTVHPBE-YDHLFZDLSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1nc(C)c(C[NH2+]CCNC(=O)[C@H](C)CN2CCOCC2)o1 ZINC001151159953 771465127 /nfs/dbraw/zinc/46/51/27/771465127.db2.gz VRXFJSKPPBYVKB-GFCCVEGCSA-N 1 3 324.425 0.466 20 0 DCADHO Cc1nc(C)c(CNCCNC(=O)[C@H](C)C[NH+]2CCOCC2)o1 ZINC001151159953 771465129 /nfs/dbraw/zinc/46/51/29/771465129.db2.gz VRXFJSKPPBYVKB-GFCCVEGCSA-N 1 3 324.425 0.466 20 0 DCADHO CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157536003 771628085 /nfs/dbraw/zinc/62/80/85/771628085.db2.gz GJVFCPMRXZUOGD-HZSPNIEDSA-N 1 3 308.401 0.390 20 0 DCADHO N[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C[C@H]1F ZINC001157544720 771629494 /nfs/dbraw/zinc/62/94/94/771629494.db2.gz IEQMKPHKHKPGMJ-UTXMOHQDSA-N 1 3 318.396 0.220 20 0 DCADHO N[C@H]1CN(C(=O)c2cccc(CN3CC[NH2+]CC3)c2)C[C@H]1F ZINC001157555146 771631587 /nfs/dbraw/zinc/63/15/87/771631587.db2.gz FXLJPZXTRGNKJX-CABCVRRESA-N 1 3 306.385 0.213 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157715530 771657802 /nfs/dbraw/zinc/65/78/02/771657802.db2.gz FUBOZPWTISGGKD-HOTGVXAUSA-N 1 3 321.421 0.238 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC001157720261 771658447 /nfs/dbraw/zinc/65/84/47/771658447.db2.gz DSLMSSWMJBQQMZ-GFCCVEGCSA-N 1 3 324.450 0.671 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@](O)(CF)CC1 ZINC001157780015 771670365 /nfs/dbraw/zinc/67/03/65/771670365.db2.gz AEBPBZJAONOEFO-CZUORRHYSA-N 1 3 313.417 0.574 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@](O)(CF)CC1 ZINC001157780015 771670368 /nfs/dbraw/zinc/67/03/68/771670368.db2.gz AEBPBZJAONOEFO-CZUORRHYSA-N 1 3 313.417 0.574 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183647021 771674843 /nfs/dbraw/zinc/67/48/43/771674843.db2.gz BFMLMLYCWCXHTL-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183648601 771675756 /nfs/dbraw/zinc/67/57/56/771675756.db2.gz VPIIYPRXGRUEGB-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+]1CCC(CN2CCN(c3ncc4c(n3)CNC4)CC2)CC1 ZINC001157838246 771678616 /nfs/dbraw/zinc/67/86/16/771678616.db2.gz UGBBYFVFBPSGIV-UHFFFAOYSA-N 1 3 316.453 0.544 20 0 DCADHO C[NH+]1CCC(CN2CCN(c3cccc(C(N)=O)n3)CC2)CC1 ZINC001157842135 771679152 /nfs/dbraw/zinc/67/91/52/771679152.db2.gz MZDMKWBYVXIJEX-UHFFFAOYSA-N 1 3 317.437 0.644 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001183739541 771692403 /nfs/dbraw/zinc/69/24/03/771692403.db2.gz UCXOOCHYOAVKHI-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001157925271 771694706 /nfs/dbraw/zinc/69/47/06/771694706.db2.gz LGUVJWAKVPRHPY-IQJOONFLSA-N 1 3 315.311 0.307 20 0 DCADHO Cc1nc(CCN(C)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)no1 ZINC001157982959 771707039 /nfs/dbraw/zinc/70/70/39/771707039.db2.gz IHIQPIMLAIWIHA-LBPRGKRZSA-N 1 3 307.398 0.253 20 0 DCADHO Cc1nc(CCN(C)C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)no1 ZINC001157982959 771707041 /nfs/dbraw/zinc/70/70/41/771707041.db2.gz IHIQPIMLAIWIHA-LBPRGKRZSA-N 1 3 307.398 0.253 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082301 771723679 /nfs/dbraw/zinc/72/36/79/771723679.db2.gz NXUCVTXFWQLYAA-AAEUAGOBSA-N 1 3 308.426 0.055 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cnns2)CC[N@@H+]1C ZINC001158404136 771769238 /nfs/dbraw/zinc/76/92/38/771769238.db2.gz QRSRHJKTEWFYIZ-QWHCGFSZSA-N 1 3 311.455 0.864 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cnns2)CC[N@H+]1C ZINC001158404136 771769242 /nfs/dbraw/zinc/76/92/42/771769242.db2.gz QRSRHJKTEWFYIZ-QWHCGFSZSA-N 1 3 311.455 0.864 20 0 DCADHO CCN1CCN(c2cncc(N3CC[NH2+]CC3)n2)C(C)(C)C1 ZINC001158561453 771790158 /nfs/dbraw/zinc/79/01/58/771790158.db2.gz FRPKECMROPZZRM-UHFFFAOYSA-N 1 3 304.442 0.807 20 0 DCADHO NC1(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001158903850 771833154 /nfs/dbraw/zinc/83/31/54/771833154.db2.gz QAMXAKUKSBTNFM-XHDPSFHLSA-N 1 3 320.368 0.566 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNCc1nccn1C ZINC001185072403 771863315 /nfs/dbraw/zinc/86/33/15/771863315.db2.gz GTSHMZSSRORALX-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)[C@H](C)C2)CC1 ZINC001185361451 771905241 /nfs/dbraw/zinc/90/52/41/771905241.db2.gz YPFOROMVRMEXJY-HUUCEWRRSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185401436 771911840 /nfs/dbraw/zinc/91/18/40/771911840.db2.gz PYNIOZGFMZEHPU-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO COC[C@@]12CCCO[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001159623044 771935382 /nfs/dbraw/zinc/93/53/82/771935382.db2.gz BKOHZSWSUQCPRZ-DZKIICNBSA-N 1 3 313.442 0.487 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001185650351 771940117 /nfs/dbraw/zinc/94/01/17/771940117.db2.gz HDTRQFRUTQRGQJ-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659394 771941645 /nfs/dbraw/zinc/94/16/45/771941645.db2.gz IBHAEGUEWDEUNC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659394 771941650 /nfs/dbraw/zinc/94/16/50/771941650.db2.gz IBHAEGUEWDEUNC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676245 771947515 /nfs/dbraw/zinc/94/75/15/771947515.db2.gz QIYHDPHWJINLJN-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001185724429 771950143 /nfs/dbraw/zinc/95/01/43/771950143.db2.gz ZDNUKEOSXDXHGZ-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@@H]2CCNC(=O)CC2)CCC1 ZINC001159854851 771969094 /nfs/dbraw/zinc/96/90/94/771969094.db2.gz URQPCSJKALOUET-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001159915018 771976773 /nfs/dbraw/zinc/97/67/73/771976773.db2.gz GCUBSIKIQVWYNY-HNNXBMFYSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159931626 771979854 /nfs/dbraw/zinc/97/98/54/771979854.db2.gz HENXJPBMARNARG-GXTWGEPZSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932791 771979938 /nfs/dbraw/zinc/97/99/38/771979938.db2.gz VKFUVKFTMLOBRB-HNNXBMFYSA-N 1 3 312.458 0.195 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159931628 771980487 /nfs/dbraw/zinc/98/04/87/771980487.db2.gz HENXJPBMARNARG-OCCSQVGLSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001186412897 772040329 /nfs/dbraw/zinc/04/03/29/772040329.db2.gz XFUFSHQOKPIKLO-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160819260 772115516 /nfs/dbraw/zinc/11/55/16/772115516.db2.gz BFIFATBIOIADSL-DOERSZECSA-N 1 3 309.410 0.113 20 0 DCADHO CC(=O)c1ccc2c(c1)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001160849336 772123108 /nfs/dbraw/zinc/12/31/08/772123108.db2.gz PKZSRUPGGXTNTM-MRXNPFEDSA-N 1 3 313.401 0.583 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001160889282 772133171 /nfs/dbraw/zinc/13/31/71/772133171.db2.gz GZVAMKUOAZOYCL-CHWSQXEVSA-N 1 3 300.447 0.467 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001160890063 772133514 /nfs/dbraw/zinc/13/35/14/772133514.db2.gz UDQGEIAIACPVCN-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001187230744 772150125 /nfs/dbraw/zinc/15/01/25/772150125.db2.gz BKLDSZXOKQZUFS-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001187328501 772167145 /nfs/dbraw/zinc/16/71/45/772167145.db2.gz HSQLSFFSNWWZNA-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001161093658 772167461 /nfs/dbraw/zinc/16/74/61/772167461.db2.gz UUDMDBDRBKTBGN-PSASIEDQSA-N 1 3 305.304 0.936 20 0 DCADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161132341 772172703 /nfs/dbraw/zinc/17/27/03/772172703.db2.gz YHDRJMSVWRAGKC-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161132341 772172707 /nfs/dbraw/zinc/17/27/07/772172707.db2.gz YHDRJMSVWRAGKC-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCC[NH+]1C[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@@H]2C1 ZINC001161174755 772181409 /nfs/dbraw/zinc/18/14/09/772181409.db2.gz DWLUWHWFEZYGKP-KKUMJFAQSA-N 1 3 322.453 0.126 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCCNCc1ccnc(OC)n1 ZINC001161251284 772191159 /nfs/dbraw/zinc/19/11/59/772191159.db2.gz MIUZNDMFBOVKAK-UHFFFAOYSA-N 1 3 323.441 0.811 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCCNCc1ccnc(OC)n1 ZINC001161251284 772191161 /nfs/dbraw/zinc/19/11/61/772191161.db2.gz MIUZNDMFBOVKAK-UHFFFAOYSA-N 1 3 323.441 0.811 20 0 DCADHO N[C@@H](Cc1ccsc1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161372991 772212791 /nfs/dbraw/zinc/21/27/91/772212791.db2.gz NMYDNNYSUBTEJD-GJZGRUSLSA-N 1 3 322.478 0.642 20 0 DCADHO Cc1cccnc1O[C@@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161394540 772216660 /nfs/dbraw/zinc/21/66/60/772216660.db2.gz NUYFCHLLHDABQE-HUUCEWRRSA-N 1 3 318.421 0.697 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834798 772231357 /nfs/dbraw/zinc/23/13/57/772231357.db2.gz IDYIMGBAHHEPJP-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C1CN(C(=O)c2ccc([C@@H](N)C[NH3+])cc2)C1)[C@H]1CCOC1 ZINC001161498324 772234088 /nfs/dbraw/zinc/23/40/88/772234088.db2.gz DZUKDGIMZHCWDL-HOCLYGCPSA-N 1 3 318.421 0.190 20 0 DCADHO COc1cc2c(cn1)CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001161526558 772239813 /nfs/dbraw/zinc/23/98/13/772239813.db2.gz IRFVZLFOXSKMIQ-OAHLLOKOSA-N 1 3 304.394 0.302 20 0 DCADHO NC[C@H](N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577052 772247865 /nfs/dbraw/zinc/24/78/65/772247865.db2.gz UDVBPWWNUOAPJW-ULQDDVLXSA-N 1 3 316.449 0.643 20 0 DCADHO NC[C@H](N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577052 772247869 /nfs/dbraw/zinc/24/78/69/772247869.db2.gz UDVBPWWNUOAPJW-ULQDDVLXSA-N 1 3 316.449 0.643 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188139348 772270845 /nfs/dbraw/zinc/27/08/45/772270845.db2.gz MFUQRFMUNIQNNA-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)Cc1cncc(N(CC[NH3+])S(C)(=O)=O)c1 ZINC001162130619 772330532 /nfs/dbraw/zinc/33/05/32/772330532.db2.gz CTXKMKJQVBQTOE-UHFFFAOYSA-N 1 3 300.428 0.648 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127293 772426489 /nfs/dbraw/zinc/42/64/89/772426489.db2.gz SARLSHURZHCYHI-HRCADAONSA-N 1 3 309.454 0.897 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127293 772426491 /nfs/dbraw/zinc/42/64/91/772426491.db2.gz SARLSHURZHCYHI-HRCADAONSA-N 1 3 309.454 0.897 20 0 DCADHO O=C(NCCC[NH2+]C/C=C\Cl)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872393 772427134 /nfs/dbraw/zinc/42/71/34/772427134.db2.gz QHZQSYFJRSOMLX-GDPRGSQJSA-N 1 3 313.829 0.698 20 0 DCADHO CCOC(=O)c1cc(NC(=[NH2+])NCCN(CC)CC)ncn1 ZINC001163126302 772468213 /nfs/dbraw/zinc/46/82/13/772468213.db2.gz QKBDTAZXMRPLFY-UHFFFAOYSA-N 1 3 308.386 0.931 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cc(C(N)=O)nc(C2CC2)n1 ZINC001163130124 772468844 /nfs/dbraw/zinc/46/88/44/772468844.db2.gz WEGFODFZSNIJHX-UHFFFAOYSA-N 1 3 319.413 0.731 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163223300 772484865 /nfs/dbraw/zinc/48/48/65/772484865.db2.gz GYAWMVPDWCURTC-INIZCTEOSA-N 1 3 319.453 0.890 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254144 772711578 /nfs/dbraw/zinc/71/15/78/772711578.db2.gz NKDNKUDIDHMYQS-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165315824 772722661 /nfs/dbraw/zinc/72/26/61/772722661.db2.gz SCTNJGGIEWZTJI-GFCCVEGCSA-N 1 3 316.421 0.028 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464809 772740533 /nfs/dbraw/zinc/74/05/33/772740533.db2.gz LEPRTDVVCXQKMQ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485572 772742786 /nfs/dbraw/zinc/74/27/86/772742786.db2.gz ZCQLWRBCSXQYBU-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001165728732 772758492 /nfs/dbraw/zinc/75/84/92/772758492.db2.gz SCBXVPMCYPCBHV-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cc(CNCCCNC(=O)C2CC[NH+](C)CC2)nn1C ZINC001165776495 772761649 /nfs/dbraw/zinc/76/16/49/772761649.db2.gz JMBOEWSLVFOWCN-UHFFFAOYSA-N 1 3 307.442 0.666 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001165809874 772764120 /nfs/dbraw/zinc/76/41/20/772764120.db2.gz QXWKJCXWTHPQHP-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001166004060 772778101 /nfs/dbraw/zinc/77/81/01/772778101.db2.gz DOFWFRLVCCTKOZ-MRXNPFEDSA-N 1 3 322.453 0.567 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001166626410 772830114 /nfs/dbraw/zinc/83/01/14/772830114.db2.gz FWUUEABAGZVAPQ-AWEZNQCLSA-N 1 3 307.442 0.983 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001166626410 772830116 /nfs/dbraw/zinc/83/01/16/772830116.db2.gz FWUUEABAGZVAPQ-AWEZNQCLSA-N 1 3 307.442 0.983 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCOCC(F)F ZINC001166627053 772830248 /nfs/dbraw/zinc/83/02/48/772830248.db2.gz OSWNPSCSSYIMMU-LBPRGKRZSA-N 1 3 307.385 0.848 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627474 772831082 /nfs/dbraw/zinc/83/10/82/772831082.db2.gz WEJJWDTUPTVXHT-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(N)=O ZINC001166687474 772841064 /nfs/dbraw/zinc/84/10/64/772841064.db2.gz SOJKTFXRDGYMFQ-ABAIWWIYSA-N 1 3 316.421 0.169 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)ncn1 ZINC001166690471 772841435 /nfs/dbraw/zinc/84/14/35/772841435.db2.gz BFGCGBMKYBABTB-SWLSCSKDSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)ncn1 ZINC001166690471 772841440 /nfs/dbraw/zinc/84/14/40/772841440.db2.gz BFGCGBMKYBABTB-SWLSCSKDSA-N 1 3 305.426 0.579 20 0 DCADHO CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047849 772856264 /nfs/dbraw/zinc/85/62/64/772856264.db2.gz VXOIPWGPFMKTKV-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001166866360 772872701 /nfs/dbraw/zinc/87/27/01/772872701.db2.gz MCESCNMLGKROET-STQMWFEESA-N 1 3 308.430 0.202 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001205469466 772994275 /nfs/dbraw/zinc/99/42/75/772994275.db2.gz GQVNVXIQXISATL-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001193278375 773036951 /nfs/dbraw/zinc/03/69/51/773036951.db2.gz HBAKJSQUBZJFCI-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC001193278375 773036956 /nfs/dbraw/zinc/03/69/56/773036956.db2.gz HBAKJSQUBZJFCI-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001206890170 773121956 /nfs/dbraw/zinc/12/19/56/773121956.db2.gz CRLNAITWUGCTTH-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677842 773456121 /nfs/dbraw/zinc/45/61/21/773456121.db2.gz VJHSEYWOYATGJK-JBZXTQMFSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001209408686 773602516 /nfs/dbraw/zinc/60/25/16/773602516.db2.gz VPLSECZPSPYYIR-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001209419538 773604043 /nfs/dbraw/zinc/60/40/43/773604043.db2.gz NJRZIFDZLJWQIX-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445981 773605498 /nfs/dbraw/zinc/60/54/98/773605498.db2.gz POUWHRJBNWPMLB-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO COCCN1C[C@@H]2CN(CCC[NH+]3CCCCC3)C[C@@H]2C1=O ZINC001209451307 773606544 /nfs/dbraw/zinc/60/65/44/773606544.db2.gz WFXHMNXSJHFWNL-HOTGVXAUSA-N 1 3 309.454 0.899 20 0 DCADHO CCCNC(=O)CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685110 773730418 /nfs/dbraw/zinc/73/04/18/773730418.db2.gz NQPMJOKMSUVIFQ-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750954 773734518 /nfs/dbraw/zinc/73/45/18/773734518.db2.gz PGYNSTXGPWSKMQ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001210796174 773740194 /nfs/dbraw/zinc/74/01/94/773740194.db2.gz DPGMKDSPZSZKFB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001210796174 773740201 /nfs/dbraw/zinc/74/02/01/773740201.db2.gz DPGMKDSPZSZKFB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001210797304 773740793 /nfs/dbraw/zinc/74/07/93/773740793.db2.gz RFHYINOQAFZYTP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001210797304 773740797 /nfs/dbraw/zinc/74/07/97/773740797.db2.gz RFHYINOQAFZYTP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001210812413 773741764 /nfs/dbraw/zinc/74/17/64/773741764.db2.gz ZJYPKACVUFNVEZ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001211063934 773765059 /nfs/dbraw/zinc/76/50/59/773765059.db2.gz DQHOYGOHILQGDT-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001211063934 773765065 /nfs/dbraw/zinc/76/50/65/773765065.db2.gz DQHOYGOHILQGDT-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001211229301 773783366 /nfs/dbraw/zinc/78/33/66/773783366.db2.gz SLVNAMAIWJCFGD-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001211268374 773787406 /nfs/dbraw/zinc/78/74/06/773787406.db2.gz IYSDHGMZYLBTEE-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001211277769 773789383 /nfs/dbraw/zinc/78/93/83/773789383.db2.gz OMDVUXZOKBTDGK-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001211282872 773790221 /nfs/dbraw/zinc/79/02/21/773790221.db2.gz DUXKBFBGWLKJOA-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197793040 773801146 /nfs/dbraw/zinc/80/11/46/773801146.db2.gz XAUZCRQECPVSFU-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197793040 773801148 /nfs/dbraw/zinc/80/11/48/773801148.db2.gz XAUZCRQECPVSFU-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198654330 773957575 /nfs/dbraw/zinc/95/75/75/773957575.db2.gz SKCVFPCYSURAQY-FWLOBVJOSA-N 1 3 309.454 0.846 20 0 DCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198654330 773957580 /nfs/dbraw/zinc/95/75/80/773957580.db2.gz SKCVFPCYSURAQY-FWLOBVJOSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214847317 774018583 /nfs/dbraw/zinc/01/85/83/774018583.db2.gz BEXFWBIEKJSRSF-TZMCWYRMSA-N 1 3 322.453 0.186 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453616 774073773 /nfs/dbraw/zinc/07/37/73/774073773.db2.gz KPXLYEFVSKGQFC-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001215998889 774098354 /nfs/dbraw/zinc/09/83/54/774098354.db2.gz GWLKUZXZQRECAA-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCC(F)F)CC1 ZINC001199788268 774198569 /nfs/dbraw/zinc/19/85/69/774198569.db2.gz NOUUBLGDFZGKGY-ZDUSSCGKSA-N 1 3 319.396 0.943 20 0 DCADHO c1cc(O[C@H]2CC[C@@H]3NCCO[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001218118075 774213142 /nfs/dbraw/zinc/21/31/42/774213142.db2.gz AXDIXDMUVSWURE-ULQDDVLXSA-N 1 3 303.406 0.994 20 0 DCADHO c1cc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@H]32)n2nc3c(c2n1)CNCC3 ZINC001218150477 774214238 /nfs/dbraw/zinc/21/42/38/774214238.db2.gz GSHWWYAWZGMARR-KCQAQPDRSA-N 1 3 315.377 0.273 20 0 DCADHO N[C@H](C(=O)Nc1ccncc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218498934 774229653 /nfs/dbraw/zinc/22/96/53/774229653.db2.gz ZZOLTEIFDJKGFB-NSHDSACASA-N 1 3 302.300 0.788 20 0 DCADHO O=C(Nc1nc2c(s1)C(=O)CCC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218533405 774240145 /nfs/dbraw/zinc/24/01/45/774240145.db2.gz BPISESVGRINPLN-RFAUZJTJSA-N 1 3 320.418 0.800 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534752 774240795 /nfs/dbraw/zinc/24/07/95/774240795.db2.gz XZMQALLMFLDHDA-VXNVDRBHSA-N 1 3 306.395 0.191 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534752 774240803 /nfs/dbraw/zinc/24/08/03/774240803.db2.gz XZMQALLMFLDHDA-VXNVDRBHSA-N 1 3 306.395 0.191 20 0 DCADHO Cc1ccc2c(n[nH]c2NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218542286 774241768 /nfs/dbraw/zinc/24/17/68/774241768.db2.gz NGSUNWFGAGOOKM-MEBBXXQBSA-N 1 3 300.366 0.404 20 0 DCADHO CN1CCN(c2ncccc2NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001218554213 774246007 /nfs/dbraw/zinc/24/60/07/774246007.db2.gz BTEFMCGEOZBPOP-ZDUSSCGKSA-N 1 3 320.441 0.228 20 0 DCADHO N[C@@H](C(=O)Nc1cnc(C(F)(F)F)nc1)C1CC[NH2+]CC1 ZINC001218584509 774256435 /nfs/dbraw/zinc/25/64/35/774256435.db2.gz CNCFBXGAZAGUIM-SECBINFHSA-N 1 3 303.288 0.761 20 0 DCADHO O=C(Nc1cnn2ccc(Cl)nc12)[C@H]1C[NH2+]CC12CNC2 ZINC001218616381 774263936 /nfs/dbraw/zinc/26/39/36/774263936.db2.gz RMLLUWYUDSGHRH-MRVPVSSYSA-N 1 3 306.757 0.130 20 0 DCADHO O=C(Nc1csc(Br)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218629544 774267782 /nfs/dbraw/zinc/26/77/82/774267782.db2.gz WEKVXJAJMIFBET-ZCFIWIBFSA-N 1 3 317.212 0.653 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218633985 774268621 /nfs/dbraw/zinc/26/86/21/774268621.db2.gz USAQUOGMBPNCSD-QMMMGPOBSA-N 1 3 301.778 0.833 20 0 DCADHO C[C@H]1CCc2sc(NC(=O)[C@@H]3C[C@@H](N)C[NH2+]3)c(C(N)=O)c2C1 ZINC001218706950 774285194 /nfs/dbraw/zinc/28/51/94/774285194.db2.gz DFZSBGVSAFKEAF-XKSSXDPKSA-N 1 3 322.434 0.600 20 0 DCADHO C[NH2+][C@@H]1CCCN(CC(=O)Nc2cc([C@@H]3CCCN3)no2)C1 ZINC001218709738 774286138 /nfs/dbraw/zinc/28/61/38/774286138.db2.gz AADPZPCKGPTQMA-NEPJUHHUSA-N 1 3 307.398 0.721 20 0 DCADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CCC2(CNC2)O1 ZINC001218727656 774290712 /nfs/dbraw/zinc/29/07/12/774290712.db2.gz ZOCLNGFVKUKJDF-OLZOCXBDSA-N 1 3 318.377 0.282 20 0 DCADHO Cc1cnn(-c2ccccn2)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218742578 774294345 /nfs/dbraw/zinc/29/43/45/774294345.db2.gz YPADCLSSADPMGK-LBPRGKRZSA-N 1 3 302.382 0.971 20 0 DCADHO O=C(Nc1nc(Cl)cc2nc[nH]c21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218745789 774295100 /nfs/dbraw/zinc/29/51/00/774295100.db2.gz POMQEQXKUKBBLD-XLKFXECMSA-N 1 3 320.784 0.749 20 0 DCADHO COc1cc(Cl)ncc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218757224 774298721 /nfs/dbraw/zinc/29/87/21/774298721.db2.gz PCIUBVBCPWOZAN-YMTOWFKASA-N 1 3 310.785 0.881 20 0 DCADHO O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001218995003 774345241 /nfs/dbraw/zinc/34/52/41/774345241.db2.gz QUVHFTUQFYJZRC-LBPRGKRZSA-N 1 3 321.402 0.005 20 0 DCADHO NC(=O)CC[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219028053 774349684 /nfs/dbraw/zinc/34/96/84/774349684.db2.gz NPKIRPYVRBILHR-NSHDSACASA-N 1 3 306.366 0.090 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219028013 774350516 /nfs/dbraw/zinc/35/05/16/774350516.db2.gz LKMQGAJOTSKARP-WBMJQRKESA-N 1 3 302.378 0.059 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1CCCO[C@@H](CNCCF)C1)C1CC1 ZINC001200688462 774389528 /nfs/dbraw/zinc/38/95/28/774389528.db2.gz QBVFRDRYQSJKLF-UONOGXRCSA-N 1 3 301.406 0.503 20 0 DCADHO COc1cc(NC(=O)[C@@H](N)CCC[NH3+])ccc1N1CCOCC1 ZINC001219168110 774396912 /nfs/dbraw/zinc/39/69/12/774396912.db2.gz ULUTZGNAXHMNQF-ZDUSSCGKSA-N 1 3 322.409 0.537 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053464 774445346 /nfs/dbraw/zinc/44/53/46/774445346.db2.gz PUROINGNFVTTAQ-FZMZJTMJSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C)C(=O)Oc1cccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219326840 774450000 /nfs/dbraw/zinc/45/00/00/774450000.db2.gz WMMWZIKIJRBQKA-CYBMUJFWSA-N 1 3 318.377 0.495 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201149926 774454788 /nfs/dbraw/zinc/45/47/88/774454788.db2.gz PFNLCOFIJDOOTC-CABCVRRESA-N 1 3 315.458 0.161 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1c(F)cccc1OC1COC1 ZINC001219382315 774471980 /nfs/dbraw/zinc/47/19/80/774471980.db2.gz OSSDCBBDRVRBSZ-LBPRGKRZSA-N 1 3 311.357 0.998 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(-c2cc(CO)on2)cc1 ZINC001219417015 774483494 /nfs/dbraw/zinc/48/34/94/774483494.db2.gz FUIDBMBMLNZBIM-ZDUSSCGKSA-N 1 3 304.350 0.839 20 0 DCADHO CC[C@H](F)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335349 774494019 /nfs/dbraw/zinc/49/40/19/774494019.db2.gz NEFIXBURGIGYJI-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO COC(Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1)OC ZINC001219442033 774496045 /nfs/dbraw/zinc/49/60/45/774496045.db2.gz ZZOGIIVNNFOGIB-AWEZNQCLSA-N 1 3 319.405 0.596 20 0 DCADHO CC[C@@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1)OC ZINC001201480856 774520090 /nfs/dbraw/zinc/52/00/90/774520090.db2.gz BFWHWKSMGZPCKC-LSDHHAIUSA-N 1 3 324.425 0.584 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001219609744 774555935 /nfs/dbraw/zinc/55/59/35/774555935.db2.gz CTGNPYVHDKUYDD-WCFLWFBJSA-N 1 3 321.343 0.556 20 0 DCADHO CC(C)(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(=O)c1ccccc1 ZINC001219693119 774581078 /nfs/dbraw/zinc/58/10/78/774581078.db2.gz ONFUWSSCLGQLTQ-RDTXWAMCSA-N 1 3 315.417 0.963 20 0 DCADHO COc1cccc([C@H](N)CC(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC001219736796 774594430 /nfs/dbraw/zinc/59/44/30/774594430.db2.gz HWSZYIPCFLJFKP-LSDHHAIUSA-N 1 3 319.405 0.580 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779282 774604891 /nfs/dbraw/zinc/60/48/91/774604891.db2.gz BMLDIDPNTKXXKI-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO N[C@H](Cc1cccc(O)c1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799825 774612122 /nfs/dbraw/zinc/61/21/22/774612122.db2.gz DJGZZCBNGKZRRQ-DZGCQCFKSA-N 1 3 319.405 0.147 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC(NCc2cnns2)CC1 ZINC001202238780 774625447 /nfs/dbraw/zinc/62/54/47/774625447.db2.gz LSYPJRAPLKQBCT-UHFFFAOYSA-N 1 3 311.455 0.961 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219848483 774627371 /nfs/dbraw/zinc/62/73/71/774627371.db2.gz ZDLXMYUMWLHVQW-HNLJFRNMSA-N 1 3 323.437 0.171 20 0 DCADHO COc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1O ZINC001219909878 774644552 /nfs/dbraw/zinc/64/45/52/774644552.db2.gz DSYCGJYHEGMVJK-CXAGYDPISA-N 1 3 319.405 0.259 20 0 DCADHO O=C(NCc1ccc(OC(F)F)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219915809 774644694 /nfs/dbraw/zinc/64/46/94/774644694.db2.gz BNYQSBPLHRFUTB-GFCCVEGCSA-N 1 3 311.332 0.713 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)CC[S@](C)=O)c1 ZINC001219943376 774652914 /nfs/dbraw/zinc/65/29/14/774652914.db2.gz GHWRIDKLZQGCRQ-QKKBWIMNSA-N 1 3 311.451 0.460 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1C[NH2+]C[C@H]1O ZINC001219999236 774664685 /nfs/dbraw/zinc/66/46/85/774664685.db2.gz NWVZKGGXDGJUIJ-ARFHVFGLSA-N 1 3 303.406 0.520 20 0 DCADHO COC(=O)C1([N-]C(=O)C(F)(F)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220001261 774664714 /nfs/dbraw/zinc/66/47/14/774664714.db2.gz NXBFPDPCMUDTGS-UHFFFAOYSA-N 1 3 319.352 0.033 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1ccc(-c2ncon2)cc1 ZINC001220005377 774667133 /nfs/dbraw/zinc/66/71/33/774667133.db2.gz YOAYJYUIQHZACR-ZDUSSCGKSA-N 1 3 303.366 0.809 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@](C)(C(N)=O)C(C)C ZINC001220023387 774673231 /nfs/dbraw/zinc/67/32/31/774673231.db2.gz WWQCGJUVOMCDJW-SWLSCSKDSA-N 1 3 300.447 0.498 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220162096 774715167 /nfs/dbraw/zinc/71/51/67/774715167.db2.gz HKBCAVFAHKAWPN-GRDNDAEWSA-N 1 3 324.469 0.515 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220166670 774716827 /nfs/dbraw/zinc/71/68/27/774716827.db2.gz FEDOBPNOMVGZTH-ZOBUZTSGSA-N 1 3 324.469 0.659 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001202496133 774724720 /nfs/dbraw/zinc/72/47/20/774724720.db2.gz OQRIKDBEBIXSAS-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO [NH3+][C@H]1CC[C@H](CC(=O)NCc2ncn3c2CNCCC3)CC1 ZINC001220311957 774766878 /nfs/dbraw/zinc/76/68/78/774766878.db2.gz VAVWEGKYAQKYHD-JOCQHMNTSA-N 1 3 305.426 0.900 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC12CC[NH+](CC1)CC2 ZINC001220395014 774794616 /nfs/dbraw/zinc/79/46/16/774794616.db2.gz RMANPDKJNYWJTG-JSGCOSHPSA-N 1 3 310.442 0.078 20 0 DCADHO CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001220583592 774854930 /nfs/dbraw/zinc/85/49/30/774854930.db2.gz PKNWIEMVPGFHFI-INIZCTEOSA-N 1 3 319.405 0.079 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1)C(N)=O ZINC001202527107 774865886 /nfs/dbraw/zinc/86/58/86/774865886.db2.gz XNUYWVUHJPWNGY-GFCCVEGCSA-N 1 3 312.458 0.419 20 0 DCADHO Cn1nc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)c2ccccc21 ZINC001220632085 774870583 /nfs/dbraw/zinc/87/05/83/774870583.db2.gz KITBCRCPIGQWSW-OAHLLOKOSA-N 1 3 301.394 0.516 20 0 DCADHO N[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)C1CC[NH2+]CC1 ZINC001220673713 774885730 /nfs/dbraw/zinc/88/57/30/774885730.db2.gz JNTZRLFCTRHNFJ-HNNXBMFYSA-N 1 3 314.393 0.210 20 0 DCADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001220678500 774885813 /nfs/dbraw/zinc/88/58/13/774885813.db2.gz BKGSACRYUPQAOM-XGYYKPKNSA-N 1 3 307.438 0.934 20 0 DCADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001220678499 774886387 /nfs/dbraw/zinc/88/63/87/774886387.db2.gz BKGSACRYUPQAOM-LFYQSXPISA-N 1 3 307.438 0.934 20 0 DCADHO O=C(NCCCOc1cccc(F)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001220683921 774888530 /nfs/dbraw/zinc/88/85/30/774888530.db2.gz STUWPGDEZKNRGK-CQSZACIVSA-N 1 3 307.369 0.520 20 0 DCADHO CSc1ncc(Cl)c(CNC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001220714747 774901355 /nfs/dbraw/zinc/90/13/55/774901355.db2.gz YENPWJDYTMBOEL-QMMMGPOBSA-N 1 3 303.819 0.534 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786272 774914570 /nfs/dbraw/zinc/91/45/70/774914570.db2.gz SWLGVBWDBAJOJB-BPLDGKMQSA-N 1 3 314.393 0.142 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786272 774914572 /nfs/dbraw/zinc/91/45/72/774914572.db2.gz SWLGVBWDBAJOJB-BPLDGKMQSA-N 1 3 314.393 0.142 20 0 DCADHO N[C@@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]C1 ZINC001220926193 774953918 /nfs/dbraw/zinc/95/39/18/774953918.db2.gz APJCBFTYMLGZDW-KRWDZBQOSA-N 1 3 317.437 0.101 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)N(C)C ZINC001202667889 774984235 /nfs/dbraw/zinc/98/42/35/774984235.db2.gz PACOXEOMYRFBQD-NSHDSACASA-N 1 3 307.398 0.010 20 0 DCADHO COCCCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221073363 774990008 /nfs/dbraw/zinc/99/00/08/774990008.db2.gz SHVVNSHKRRMKAE-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H](F)CCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073131 774990421 /nfs/dbraw/zinc/99/04/21/774990421.db2.gz HPEOFIIKDCTCRO-ZNMIVQPWSA-N 1 3 315.433 0.772 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NCC1(c2ccncc2)CCOCC1 ZINC001221174940 775017822 /nfs/dbraw/zinc/01/78/22/775017822.db2.gz VOELMZNUSFZPFG-CQSZACIVSA-N 1 3 306.410 0.312 20 0 DCADHO NC[C@H](N)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221201854 775024101 /nfs/dbraw/zinc/02/41/01/775024101.db2.gz NCXWUKDFIAKUJT-LSDHHAIUSA-N 1 3 308.401 0.659 20 0 DCADHO COc1cccnc1[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001221215797 775029936 /nfs/dbraw/zinc/02/99/36/775029936.db2.gz VBQHJGYHDAVASN-GJZGRUSLSA-N 1 3 318.421 0.984 20 0 DCADHO N[C@H](C(=O)NCc1ccc2oc(=O)[nH]c2c1)C1CC[NH2+]CC1 ZINC001221384387 775082896 /nfs/dbraw/zinc/08/28/96/775082896.db2.gz DRZRJXCQCOWIIJ-ZDUSSCGKSA-N 1 3 304.350 0.477 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)Cc2cncn2C)[C@H](C)C1 ZINC001221406325 775090757 /nfs/dbraw/zinc/09/07/57/775090757.db2.gz FWAMBIJGSNYUQW-SNPRPXQTSA-N 1 3 307.442 0.525 20 0 DCADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)Cc2cncn2C)[C@H](C)C1 ZINC001221406325 775090762 /nfs/dbraw/zinc/09/07/62/775090762.db2.gz FWAMBIJGSNYUQW-SNPRPXQTSA-N 1 3 307.442 0.525 20 0 DCADHO CO[C@@H](C)CN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772910 775192405 /nfs/dbraw/zinc/19/24/05/775192405.db2.gz QTUISSPMXKSTRE-RRFJBIMHSA-N 1 3 309.454 0.896 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001222083805 775264340 /nfs/dbraw/zinc/26/43/40/775264340.db2.gz NQOBDFBKMDQOKG-HZPDHXFCSA-N 1 3 309.454 0.778 20 0 DCADHO CCOC(=O)[C@@H]1CNCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001222081595 775264438 /nfs/dbraw/zinc/26/44/38/775264438.db2.gz YHFNULOTHHUMEG-INIZCTEOSA-N 1 3 303.406 0.669 20 0 DCADHO c1c(CN2CC3(C2)CNCCO3)c2cccc3c2n1CC[NH2+]C3 ZINC001222441021 775350901 /nfs/dbraw/zinc/35/09/01/775350901.db2.gz CZXBYHMVCMHHDO-UHFFFAOYSA-N 1 3 312.417 0.919 20 0 DCADHO CCN1CC[C@H](N2CCC(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001224346532 775562696 /nfs/dbraw/zinc/56/26/96/775562696.db2.gz LQYLQZPAVCCLKJ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226781820 775875992 /nfs/dbraw/zinc/87/59/92/775875992.db2.gz BSSJGDZANJQLNH-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226792483 775877978 /nfs/dbraw/zinc/87/79/78/775877978.db2.gz RTBRWIJPNVSIPK-MGPQQGTHSA-N 1 3 324.469 0.622 20 0 DCADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001226830615 775883480 /nfs/dbraw/zinc/88/34/80/775883480.db2.gz KMFZAZFLVCADHW-KFWWJZLASA-N 1 3 322.453 0.376 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001228365941 776076376 /nfs/dbraw/zinc/07/63/76/776076376.db2.gz JVRVKGDZKMFCMA-ZIAGYGMSSA-N 1 3 310.442 0.234 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001229523799 776197492 /nfs/dbraw/zinc/19/74/92/776197492.db2.gz KVFLMJCUQBPCPX-ZIAGYGMSSA-N 1 3 322.457 0.972 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C)n1 ZINC001229523799 776197497 /nfs/dbraw/zinc/19/74/97/776197497.db2.gz KVFLMJCUQBPCPX-ZIAGYGMSSA-N 1 3 322.457 0.972 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)N(C)C ZINC001114854706 776257227 /nfs/dbraw/zinc/25/72/27/776257227.db2.gz RBLSQTCOKABFBV-XUWVNRHRSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)N(C)C ZINC001114854706 776257235 /nfs/dbraw/zinc/25/72/35/776257235.db2.gz RBLSQTCOKABFBV-XUWVNRHRSA-N 1 3 309.454 0.800 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCOCC(F)F ZINC001277998018 945090249 /nfs/dbraw/zinc/09/02/49/945090249.db2.gz YCRZDRJQFYEUCU-ZDUSSCGKSA-N 1 3 319.396 0.945 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317597697 945099267 /nfs/dbraw/zinc/09/92/67/945099267.db2.gz HZLWVBNTRXXGGJ-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001317597697 945099271 /nfs/dbraw/zinc/09/92/71/945099271.db2.gz HZLWVBNTRXXGGJ-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCNC(=O)C[NH2+][C@@]12CC[C@@](NCOCCOC)(C1)CCC2 ZINC001278028203 945104518 /nfs/dbraw/zinc/10/45/18/945104518.db2.gz KRWLUUYXPYNZAR-JKSUJKDBSA-N 1 3 313.442 0.768 20 0 DCADHO CC[C@@H](N[C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2)C(N)=O ZINC001278029076 945105882 /nfs/dbraw/zinc/10/58/82/945105882.db2.gz PGRDNNPNFYEJEJ-WQVCFCJDSA-N 1 3 310.442 0.363 20 0 DCADHO CN(C)CCC[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2)C1 ZINC001278049519 945117556 /nfs/dbraw/zinc/11/75/56/945117556.db2.gz MLBIXKYUTQHFFT-QGZVFWFLSA-N 1 3 310.486 0.814 20 0 DCADHO CN(C)CCC[N@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2)C1 ZINC001278049519 945117558 /nfs/dbraw/zinc/11/75/58/945117558.db2.gz MLBIXKYUTQHFFT-QGZVFWFLSA-N 1 3 310.486 0.814 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)ccn1 ZINC001317627595 945125183 /nfs/dbraw/zinc/12/51/83/945125183.db2.gz SVOMCTSYGJYOEQ-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO COc1cc(CNCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)ccn1 ZINC001317627595 945125185 /nfs/dbraw/zinc/12/51/85/945125185.db2.gz SVOMCTSYGJYOEQ-CQSZACIVSA-N 1 3 320.437 0.980 20 0 DCADHO CN1CC2(C1)CCOC[C@@H]2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001278090200 945131251 /nfs/dbraw/zinc/13/12/51/945131251.db2.gz KHAGOSQDGFDSLV-CQSZACIVSA-N 1 3 321.425 0.352 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001317656354 945148386 /nfs/dbraw/zinc/14/83/86/945148386.db2.gz YEMGAPVDDFIWJG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCNCC(=O)N1CCCC1)C(=O)CCC[NH+]1CCCC1 ZINC001317670496 945157934 /nfs/dbraw/zinc/15/79/34/945157934.db2.gz TZQUVTGBZQPWEF-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273018745 945194790 /nfs/dbraw/zinc/19/47/90/945194790.db2.gz NYQQYJAOUUQPST-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273018745 945194795 /nfs/dbraw/zinc/19/47/95/945194795.db2.gz NYQQYJAOUUQPST-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO O=C1C[C@@]2(CN1C1COC1)CCCCN2CC1CC[NH2+]CC1 ZINC001273029762 945208623 /nfs/dbraw/zinc/20/86/23/945208623.db2.gz FKTHSDRKNZPZRB-QGZVFWFLSA-N 1 3 307.438 0.842 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)C1 ZINC001267178470 939372990 /nfs/dbraw/zinc/37/29/90/939372990.db2.gz ADGAJOVNIPAYRZ-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)C1 ZINC001267178470 939372993 /nfs/dbraw/zinc/37/29/93/939372993.db2.gz ADGAJOVNIPAYRZ-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2CCOCC2CC2)C1 ZINC001267282011 939414254 /nfs/dbraw/zinc/41/42/54/939414254.db2.gz NXCWKHSPKZBVLJ-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2CCOCC2CC2)C1 ZINC001267282011 939414257 /nfs/dbraw/zinc/41/42/57/939414257.db2.gz NXCWKHSPKZBVLJ-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267439454 939456783 /nfs/dbraw/zinc/45/67/83/939456783.db2.gz IWDPKGNCEBGOBQ-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267439454 939456786 /nfs/dbraw/zinc/45/67/86/939456786.db2.gz IWDPKGNCEBGOBQ-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)CCn1cccn1 ZINC001480950886 939470693 /nfs/dbraw/zinc/47/06/93/939470693.db2.gz MBNOZEJNYJXMPP-HUUCEWRRSA-N 1 3 307.442 0.804 20 0 DCADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)CCn1cncn1 ZINC001480997287 939515836 /nfs/dbraw/zinc/51/58/36/939515836.db2.gz BDPIRVNPLAFZSK-UHFFFAOYSA-N 1 3 308.430 0.058 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)CCC[NH+](C)C ZINC001408671930 939544978 /nfs/dbraw/zinc/54/49/78/939544978.db2.gz XYZIJSAMIIQCKV-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO COc1cc(CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccn1 ZINC001481231538 939655124 /nfs/dbraw/zinc/65/51/24/939655124.db2.gz FLSCSFGXLPQEKC-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccn1 ZINC001481231538 939655125 /nfs/dbraw/zinc/65/51/25/939655125.db2.gz FLSCSFGXLPQEKC-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001481243538 939664727 /nfs/dbraw/zinc/66/47/27/939664727.db2.gz VOVWPOQNEFNWRV-HIFRSBDPSA-N 1 3 322.457 0.400 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCCNC2=O)C1 ZINC001481505957 939906067 /nfs/dbraw/zinc/90/60/67/939906067.db2.gz VJKPPLXZSVWEEN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCCNC2=O)C1 ZINC001481505957 939906070 /nfs/dbraw/zinc/90/60/70/939906070.db2.gz VJKPPLXZSVWEEN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001481517180 939912108 /nfs/dbraw/zinc/91/21/08/939912108.db2.gz CWRRYKOFRVTCFZ-ZDUSSCGKSA-N 1 3 312.458 0.372 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001481773751 940133362 /nfs/dbraw/zinc/13/33/62/940133362.db2.gz BZKYAHQURQBJGO-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001482026198 940210175 /nfs/dbraw/zinc/21/01/75/940210175.db2.gz UBXWEXCCKZYUPN-KBUPBQIOSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001268558759 940235838 /nfs/dbraw/zinc/23/58/38/940235838.db2.gz OASTXUVPZCCVEP-WSROAFLRSA-N 1 3 324.469 0.775 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001268558759 940235841 /nfs/dbraw/zinc/23/58/41/940235841.db2.gz OASTXUVPZCCVEP-WSROAFLRSA-N 1 3 324.469 0.775 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001268589394 940271350 /nfs/dbraw/zinc/27/13/50/940271350.db2.gz UWPRYWHBYKVZQV-PRQMKSPXSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H]1CN(C[C@H](O)COc2ccc(CCO)cc2)C[C@H]1C[NH3+] ZINC001246016960 945317392 /nfs/dbraw/zinc/31/73/92/945317392.db2.gz ODDZKJLSLMGZQB-IMJJTQAJSA-N 1 3 308.422 0.488 20 0 DCADHO CN(CCC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@H]1CCCN1C ZINC001268811675 940369206 /nfs/dbraw/zinc/36/92/06/940369206.db2.gz PVFWZQDBPXPWQM-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268914820 940407826 /nfs/dbraw/zinc/40/78/26/940407826.db2.gz FXKPWOIAVAYOSI-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268914820 940407828 /nfs/dbraw/zinc/40/78/28/940407828.db2.gz FXKPWOIAVAYOSI-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001482282855 940887386 /nfs/dbraw/zinc/88/73/86/940887386.db2.gz ADXOSOMTQWZCRJ-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001482282855 940887388 /nfs/dbraw/zinc/88/73/88/940887388.db2.gz ADXOSOMTQWZCRJ-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325858 940991785 /nfs/dbraw/zinc/99/17/85/940991785.db2.gz NDELCRFXHPEIBJ-CHWSQXEVSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)Cc1c[nH]cn1 ZINC001482335051 941002077 /nfs/dbraw/zinc/00/20/77/941002077.db2.gz GKMQTMXZJCQGRA-LBPRGKRZSA-N 1 3 304.398 0.365 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)cn1 ZINC001482364934 941022678 /nfs/dbraw/zinc/02/26/78/941022678.db2.gz QSVMPHZRAOACGY-CYBMUJFWSA-N 1 3 305.426 0.817 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001409070239 941311680 /nfs/dbraw/zinc/31/16/80/941311680.db2.gz DUZZZLJNVZBALQ-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001409070239 941311681 /nfs/dbraw/zinc/31/16/81/941311681.db2.gz DUZZZLJNVZBALQ-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCN(CCCC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001272017771 941522610 /nfs/dbraw/zinc/52/26/10/941522610.db2.gz AFGTYQUPAIEUJF-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCN(CCCC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001272017771 941522614 /nfs/dbraw/zinc/52/26/14/941522614.db2.gz AFGTYQUPAIEUJF-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCOCC(F)(F)F ZINC001482990598 941761467 /nfs/dbraw/zinc/76/14/67/941761467.db2.gz DUUILBSORQFQOB-ZZKXABKFSA-N 1 3 323.359 0.922 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001409278560 941867395 /nfs/dbraw/zinc/86/73/95/941867395.db2.gz IVCXWIPEUGILRV-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483183996 941927996 /nfs/dbraw/zinc/92/79/96/941927996.db2.gz IDSORKYBXJLRSZ-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)C(=O)N(C)C ZINC001409485711 942015368 /nfs/dbraw/zinc/01/53/68/942015368.db2.gz QDJYJZPXQBRBON-LBPRGKRZSA-N 1 3 323.441 0.503 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001483284372 942238363 /nfs/dbraw/zinc/23/83/63/942238363.db2.gz KSJMBQOGWOBYFJ-FZMZJTMJSA-N 1 3 310.446 0.329 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1)C1CCC1 ZINC001483565091 942423494 /nfs/dbraw/zinc/42/34/94/942423494.db2.gz BAZSSXVMPKOXSV-LSDHHAIUSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001483598520 942454820 /nfs/dbraw/zinc/45/48/20/942454820.db2.gz NKNRSLUKPBCAPK-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001483598520 942454822 /nfs/dbraw/zinc/45/48/22/942454822.db2.gz NKNRSLUKPBCAPK-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001272476780 942775629 /nfs/dbraw/zinc/77/56/29/942775629.db2.gz TVKQKKPSWCPLBV-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001483958024 943046459 /nfs/dbraw/zinc/04/64/59/943046459.db2.gz FKVDKRVFTICXMT-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001484002028 943079254 /nfs/dbraw/zinc/07/92/54/943079254.db2.gz SHHXDHQFAZYMAB-CABCVRRESA-N 1 3 322.453 0.078 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCO1 ZINC001484695763 943527235 /nfs/dbraw/zinc/52/72/35/943527235.db2.gz IGFDUUAUPWDUAI-ZIAGYGMSSA-N 1 3 301.431 0.036 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001490958294 943688528 /nfs/dbraw/zinc/68/85/28/943688528.db2.gz UNXJRXQPQKZTLG-HDJSIYSDSA-N 1 3 307.442 0.540 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491026019 943716020 /nfs/dbraw/zinc/71/60/20/943716020.db2.gz RWUJJJQLFUSYCK-BETUJISGSA-N 1 3 310.442 0.232 20 0 DCADHO CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485198621 943742169 /nfs/dbraw/zinc/74/21/69/943742169.db2.gz JNZMKTNPUFVQME-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)CCn1cccn1 ZINC001485373121 943906191 /nfs/dbraw/zinc/90/61/91/943906191.db2.gz KKZZMEVCFOOZEX-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CCn1cccn1 ZINC001485373121 943906194 /nfs/dbraw/zinc/90/61/94/943906194.db2.gz KKZZMEVCFOOZEX-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001491455587 944011443 /nfs/dbraw/zinc/01/14/43/944011443.db2.gz RRAJMJVVIJHDID-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001491455587 944011447 /nfs/dbraw/zinc/01/14/47/944011447.db2.gz RRAJMJVVIJHDID-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCO[C@H]1CC1(F)F ZINC001491479660 944033430 /nfs/dbraw/zinc/03/34/30/944033430.db2.gz YBAQCRSUJZBBTO-NEPJUHHUSA-N 1 3 319.396 0.989 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001485767086 944127117 /nfs/dbraw/zinc/12/71/17/944127117.db2.gz DJMJJZYIRXOMMP-HNNXBMFYSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001485767086 944127120 /nfs/dbraw/zinc/12/71/20/944127120.db2.gz DJMJJZYIRXOMMP-HNNXBMFYSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001203010800 944142722 /nfs/dbraw/zinc/14/27/22/944142722.db2.gz VXWVEVNUNGMQRU-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001127690745 944146050 /nfs/dbraw/zinc/14/60/50/944146050.db2.gz SAYQDCVFYISKLB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCCCC2)CC[N@H+]1C ZINC001127690745 944146053 /nfs/dbraw/zinc/14/60/53/944146053.db2.gz SAYQDCVFYISKLB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001272809870 944243394 /nfs/dbraw/zinc/24/33/94/944243394.db2.gz PRUOGKNVLJHHFS-QGZVFWFLSA-N 1 3 318.421 0.773 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001272809870 944243402 /nfs/dbraw/zinc/24/34/02/944243402.db2.gz PRUOGKNVLJHHFS-QGZVFWFLSA-N 1 3 318.421 0.773 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)NCC(N)=O ZINC001485904056 944394469 /nfs/dbraw/zinc/39/44/69/944394469.db2.gz DMIOGRFVWCWJNM-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001485922496 944404280 /nfs/dbraw/zinc/40/42/80/944404280.db2.gz MFVVXOZIWMCBJZ-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001485946936 944409851 /nfs/dbraw/zinc/40/98/51/944409851.db2.gz KYBWCJFNZTWXIU-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001486082107 944542655 /nfs/dbraw/zinc/54/26/55/944542655.db2.gz WLNPSQUFFKQSTG-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001486131369 944585141 /nfs/dbraw/zinc/58/51/41/944585141.db2.gz UXYNRCNSKZATHF-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001277001919 944626499 /nfs/dbraw/zinc/62/64/99/944626499.db2.gz RVPTVFVNTQXYCS-IIAWOOMASA-N 1 3 321.469 0.787 20 0 DCADHO COCCCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001316989511 944721987 /nfs/dbraw/zinc/72/19/87/944721987.db2.gz VRWDDRNPKOEFPF-OAHLLOKOSA-N 1 3 323.441 0.285 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001486346662 944829870 /nfs/dbraw/zinc/82/98/70/944829870.db2.gz IPKBFFCMYWEXPW-KKUMJFAQSA-N 1 3 315.458 0.114 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001486346662 944829879 /nfs/dbraw/zinc/82/98/79/944829879.db2.gz IPKBFFCMYWEXPW-KKUMJFAQSA-N 1 3 315.458 0.114 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317294386 944902611 /nfs/dbraw/zinc/90/26/11/944902611.db2.gz YHDWERDTUMJUCD-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CC[NH+](C1CCN(C)CC1)CC2 ZINC001277625474 944916255 /nfs/dbraw/zinc/91/62/55/944916255.db2.gz WKZJKOFAOLJMQE-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO C[NH+]1CCC(CCN2CC3(C[C@H]3C(=O)NCC3COC3)C2)CC1 ZINC001277838321 945002562 /nfs/dbraw/zinc/00/25/62/945002562.db2.gz JWEIEDLFMQLXIQ-INIZCTEOSA-N 1 3 321.465 0.803 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CN1 ZINC001246258311 945371498 /nfs/dbraw/zinc/37/14/98/945371498.db2.gz WDYBNRHESSRONQ-LQKXBSAESA-N 1 3 311.426 0.171 20 0 DCADHO O=S(=O)(c1ccccn1)N1CCC([NH2+]C2CCNCC2)CC1 ZINC001246316913 945384050 /nfs/dbraw/zinc/38/40/50/945384050.db2.gz OYYDSFPPFDMNMF-UHFFFAOYSA-N 1 3 324.450 0.576 20 0 DCADHO COC(=O)[C@H](CCC[NH3+])NC1CCC(N2CCOCC2)CC1 ZINC001246402284 945404953 /nfs/dbraw/zinc/40/49/53/945404953.db2.gz UXLGVNKJEJGECE-NRXISQOPSA-N 1 3 313.442 0.500 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CNCCC3(F)F)CCN1 ZINC001246635615 945450085 /nfs/dbraw/zinc/45/00/85/945450085.db2.gz DMKHFXAZFANHRW-OBJOEFQTSA-N 1 3 317.380 0.601 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CNCCC3(F)F)CCN1 ZINC001246635615 945450091 /nfs/dbraw/zinc/45/00/91/945450091.db2.gz DMKHFXAZFANHRW-OBJOEFQTSA-N 1 3 317.380 0.601 20 0 DCADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001318835978 945450656 /nfs/dbraw/zinc/45/06/56/945450656.db2.gz KAKARZRUZBMIEE-ZFWWWQNUSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CCN1 ZINC001246748526 945482248 /nfs/dbraw/zinc/48/22/48/945482248.db2.gz YQNRZIJGODXUDA-QCODTGAPSA-N 1 3 323.437 0.485 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CCN1 ZINC001246748526 945482253 /nfs/dbraw/zinc/48/22/53/945482253.db2.gz YQNRZIJGODXUDA-QCODTGAPSA-N 1 3 323.437 0.485 20 0 DCADHO c1ccc(CCN2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246786826 945489768 /nfs/dbraw/zinc/48/97/68/945489768.db2.gz AHRHLRMCKZDQOE-QGZVFWFLSA-N 1 3 315.465 0.336 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246874362 945510123 /nfs/dbraw/zinc/51/01/23/945510123.db2.gz SSZZLPBPRVZUOR-YQQAZPJKSA-N 1 3 324.469 0.025 20 0 DCADHO CCOCC[N@H+](C1CCNCC1)[C@@H]1CCN[C@H](C(=O)OC)C1 ZINC001246949743 945525422 /nfs/dbraw/zinc/52/54/22/945525422.db2.gz LGARHSYSQCKWPJ-CABCVRRESA-N 1 3 313.442 0.371 20 0 DCADHO CCOCC[N@@H+](C1CCNCC1)[C@@H]1CCN[C@H](C(=O)OC)C1 ZINC001246949743 945525426 /nfs/dbraw/zinc/52/54/26/945525426.db2.gz LGARHSYSQCKWPJ-CABCVRRESA-N 1 3 313.442 0.371 20 0 DCADHO Cc1cnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246974425 945533029 /nfs/dbraw/zinc/53/30/29/945533029.db2.gz AKWBAZQKOXNHTF-CQSZACIVSA-N 1 3 302.426 0.001 20 0 DCADHO c1cc(-c2noc([C@H]3C[NH2+][C@@H]4CCO[C@@H]43)n2)nc2c1CNCC2 ZINC001247951106 945584800 /nfs/dbraw/zinc/58/48/00/945584800.db2.gz VZVCHYZJKYDXJZ-ZKYQVNSYSA-N 1 3 313.361 0.622 20 0 DCADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]C/C=C/Cl)N1CCCC1 ZINC001320255917 945787972 /nfs/dbraw/zinc/78/79/72/945787972.db2.gz BETHZAGPYUPFOD-BTDICHCPSA-N 1 3 303.834 0.680 20 0 DCADHO CN1CCCN(CC[NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC001252301383 945884925 /nfs/dbraw/zinc/88/49/25/945884925.db2.gz ZKUOAJUJORJSFN-GOSISDBHSA-N 1 3 321.465 0.791 20 0 DCADHO COc1ccc(OC[C@@H](O)CNCCC[N@H+](C)CCO)cc1 ZINC001252743323 945997591 /nfs/dbraw/zinc/99/75/91/945997591.db2.gz XRSYWNUVANHRQF-AWEZNQCLSA-N 1 3 312.410 0.339 20 0 DCADHO COc1ccc(OC[C@@H](O)CNCCC[N@@H+](C)CCO)cc1 ZINC001252743323 945997597 /nfs/dbraw/zinc/99/75/97/945997597.db2.gz XRSYWNUVANHRQF-AWEZNQCLSA-N 1 3 312.410 0.339 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253174147 946080818 /nfs/dbraw/zinc/08/08/18/946080818.db2.gz UOBUIGRXWGKQNP-KYJSFNMBSA-N 1 3 322.449 0.891 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253174147 946080828 /nfs/dbraw/zinc/08/08/28/946080828.db2.gz UOBUIGRXWGKQNP-KYJSFNMBSA-N 1 3 322.449 0.891 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)CC(=O)NC2CC2)CC1 ZINC001410251851 946093479 /nfs/dbraw/zinc/09/34/79/946093479.db2.gz MIKZTXVSRBSXNF-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)CC(=O)NC2CC2)CC1 ZINC001410251851 946093490 /nfs/dbraw/zinc/09/34/90/946093490.db2.gz MIKZTXVSRBSXNF-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@H](CO)Cc1cccc(OC)c1 ZINC001253211035 946096972 /nfs/dbraw/zinc/09/69/72/946096972.db2.gz SFGWJHYBYJSLHI-HOTGVXAUSA-N 1 3 310.438 0.891 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001410334419 946203807 /nfs/dbraw/zinc/20/38/07/946203807.db2.gz SWWOINHFRUTNOR-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO CCC(CO)(CO)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254049703 946225141 /nfs/dbraw/zinc/22/51/41/946225141.db2.gz LJBVKSYRTHJFAU-UHFFFAOYSA-N 1 3 322.449 0.737 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410382376 946281936 /nfs/dbraw/zinc/28/19/36/946281936.db2.gz PJHBWXHPRCAWFP-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410382376 946281947 /nfs/dbraw/zinc/28/19/47/946281947.db2.gz PJHBWXHPRCAWFP-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001321417983 946324488 /nfs/dbraw/zinc/32/44/88/946324488.db2.gz WWCIOXYLLBQXLX-ISZGNANSSA-N 1 3 310.442 0.259 20 0 DCADHO CC[NH+](CC)CCN1CCN(C2CCN(C(C)=O)CC2)CC1 ZINC001254422387 946390103 /nfs/dbraw/zinc/39/01/03/946390103.db2.gz MHGCFWVPKBOGNK-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CN1CC[C@@H](N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)C1 ZINC001255422587 946501620 /nfs/dbraw/zinc/50/16/20/946501620.db2.gz GCNHIHINWKSYOJ-OAHLLOKOSA-N 1 3 303.410 0.927 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001410533641 946524641 /nfs/dbraw/zinc/52/46/41/946524641.db2.gz ZDKUKINQNMFCKM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CC(=O)N1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001256336430 946616852 /nfs/dbraw/zinc/61/68/52/946616852.db2.gz ZXAHFVGUNBCBIK-HNNXBMFYSA-N 1 3 318.421 0.841 20 0 DCADHO CC(C)(C)N1CCC([NH2+]CCNC(=O)N2CCOCC2)CC1 ZINC001256561554 946643608 /nfs/dbraw/zinc/64/36/08/946643608.db2.gz KCWOLIXCSHUUJV-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO O[C@H]1CCCN(CC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256684018 946652223 /nfs/dbraw/zinc/65/22/23/946652223.db2.gz LSQGLGOVEMOHOA-JCYILVPMSA-N 1 3 311.470 0.676 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)CC[N@H+](C)CC)N(C)C ZINC001410661758 946729820 /nfs/dbraw/zinc/72/98/20/946729820.db2.gz ZQSSOBPJMCKPKP-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)CC[N@@H+](C)CC)N(C)C ZINC001410661758 946729828 /nfs/dbraw/zinc/72/98/28/946729828.db2.gz ZQSSOBPJMCKPKP-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001410845161 947019341 /nfs/dbraw/zinc/01/93/41/947019341.db2.gz DPWJJPLYDYAIIY-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001324565585 947459612 /nfs/dbraw/zinc/45/96/12/947459612.db2.gz WVKKDYDLMOOGEY-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001411242351 947532075 /nfs/dbraw/zinc/53/20/75/947532075.db2.gz XWLYIDODCFZCFU-UHFFFAOYSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCN(CCCC[NH2+]Cc2cnc3n2CCOC3)CC1 ZINC001262192183 947597570 /nfs/dbraw/zinc/59/75/70/947597570.db2.gz VXEZMVRZVXOSGB-UHFFFAOYSA-N 1 3 307.442 0.531 20 0 DCADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246271877 947687363 /nfs/dbraw/zinc/68/73/63/947687363.db2.gz ZUATYVGIKQUUQP-OCCSQVGLSA-N 1 3 303.472 0.919 20 0 DCADHO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246366120 947690892 /nfs/dbraw/zinc/69/08/92/947690892.db2.gz LXEGPHNXWAVWSI-TZMCWYRMSA-N 1 3 303.472 0.778 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CNC/C=C/Cl)C2)CC1 ZINC001280629063 947817158 /nfs/dbraw/zinc/81/71/58/947817158.db2.gz KHFHEZQIWXDOBO-YIALFULDSA-N 1 3 315.845 0.898 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486743 947850799 /nfs/dbraw/zinc/85/07/99/947850799.db2.gz RHCIYLGEMBMFMS-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C)N(C)C ZINC001179549885 947867232 /nfs/dbraw/zinc/86/72/32/947867232.db2.gz KTZIGYINPFNYOT-UBHSHLNASA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001179609302 947875492 /nfs/dbraw/zinc/87/54/92/947875492.db2.gz NHIMWCAHJNNGAQ-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@@H]([NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001179580358 947876353 /nfs/dbraw/zinc/87/63/53/947876353.db2.gz DVCCDIMQFCEPQU-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001325697698 947883874 /nfs/dbraw/zinc/88/38/74/947883874.db2.gz ABEFKFOFRUNDSF-UONOGXRCSA-N 1 3 312.458 0.099 20 0 DCADHO COC(CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN(C)C)OC ZINC001273712241 948040411 /nfs/dbraw/zinc/04/04/11/948040411.db2.gz SBURVFSUPYEGCK-ZIAGYGMSSA-N 1 3 313.442 0.622 20 0 DCADHO COC(CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN(C)C)OC ZINC001273712241 948040415 /nfs/dbraw/zinc/04/04/15/948040415.db2.gz SBURVFSUPYEGCK-ZIAGYGMSSA-N 1 3 313.442 0.622 20 0 DCADHO C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+]CC2CCCC2)C1 ZINC001326092379 948049015 /nfs/dbraw/zinc/04/90/15/948049015.db2.gz XJIHYAABHLKANB-HNNXBMFYSA-N 1 3 311.470 0.929 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC001326183336 948086049 /nfs/dbraw/zinc/08/60/49/948086049.db2.gz PYIKTTWFPZFAJW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001430066838 1013088162 /nfs/dbraw/zinc/08/81/62/1013088162.db2.gz OSIDBEAPMHYPNE-QLFBSQMISA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC001327282969 948450398 /nfs/dbraw/zinc/45/03/98/948450398.db2.gz RKJFCUHSPHDKOB-CYBMUJFWSA-N 1 3 324.469 0.195 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@](CO)([NH2+]CCCF)C1 ZINC001327602450 948566819 /nfs/dbraw/zinc/56/68/19/948566819.db2.gz CMGSSSPRKDLOPX-HNNXBMFYSA-N 1 3 303.422 0.631 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)CC[NH+](C)C)CC2)nn1C ZINC001202316252 948693440 /nfs/dbraw/zinc/69/34/40/948693440.db2.gz SRTOYDOTZJFVFZ-UHFFFAOYSA-N 1 3 307.442 0.761 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001328217711 948752335 /nfs/dbraw/zinc/75/23/35/948752335.db2.gz MCMFEKGKZBQDGT-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CC(N)=O ZINC001263960515 948814867 /nfs/dbraw/zinc/81/48/67/948814867.db2.gz JCPRQMJTAHJJGU-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCNC1=O ZINC001265129482 949341540 /nfs/dbraw/zinc/34/15/40/949341540.db2.gz MEXZGIUJDMPRMI-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCNC1=O ZINC001265129482 949341562 /nfs/dbraw/zinc/34/15/62/949341562.db2.gz MEXZGIUJDMPRMI-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001488879613 949342800 /nfs/dbraw/zinc/34/28/00/949342800.db2.gz FJHWDIDJIJLYLO-AJNGGQMLSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)C(=O)NC1CC1 ZINC001265146143 949376241 /nfs/dbraw/zinc/37/62/41/949376241.db2.gz NZQXVQIRUTYHMQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)NC1CC1 ZINC001265146143 949376269 /nfs/dbraw/zinc/37/62/69/949376269.db2.gz NZQXVQIRUTYHMQ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nccc1C[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC001364582498 949585589 /nfs/dbraw/zinc/58/55/89/949585589.db2.gz RJBDWYNYEVPPMU-UHFFFAOYSA-N 1 3 300.410 0.857 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)[C@@H](C)C1 ZINC001329675883 949770862 /nfs/dbraw/zinc/77/08/62/949770862.db2.gz LUKYGAKICMBKOO-DZGCQCFKSA-N 1 3 324.469 0.195 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)[C@@H](C)C1 ZINC001329675883 949770879 /nfs/dbraw/zinc/77/08/79/949770879.db2.gz LUKYGAKICMBKOO-DZGCQCFKSA-N 1 3 324.469 0.195 20 0 DCADHO CCN(CCCNC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)C(N)=O ZINC001266054150 950308183 /nfs/dbraw/zinc/30/81/83/950308183.db2.gz KEQYMCCMVGNHGT-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001330612378 950547604 /nfs/dbraw/zinc/54/76/04/950547604.db2.gz DHHSCZVAQFAWRD-MGPQQGTHSA-N 1 3 308.430 0.103 20 0 DCADHO Cn1cncc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001280152874 950776444 /nfs/dbraw/zinc/77/64/44/950776444.db2.gz NRZUMMHWZNYHHC-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001330983772 950807272 /nfs/dbraw/zinc/80/72/72/950807272.db2.gz RLFSLYKZJAKDDV-CVEARBPZSA-N 1 3 318.421 0.883 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001330983772 950807290 /nfs/dbraw/zinc/80/72/90/950807290.db2.gz RLFSLYKZJAKDDV-CVEARBPZSA-N 1 3 318.421 0.883 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC2(C[C@@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001490611019 950944753 /nfs/dbraw/zinc/94/47/53/950944753.db2.gz QJSKQEIKPLUSBG-KGLIPLIRSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2ccnn2C)C2CC2)CC[N@@H+]1C ZINC001490665878 950967960 /nfs/dbraw/zinc/96/79/60/950967960.db2.gz WSXJZSZYPUUKKV-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCc2ccnn2C)C2CC2)CC[N@H+]1C ZINC001490665878 950967976 /nfs/dbraw/zinc/96/79/76/950967976.db2.gz WSXJZSZYPUUKKV-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO CC[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001274125722 951427434 /nfs/dbraw/zinc/42/74/34/951427434.db2.gz UAONIUAMXUSINZ-MEWZEZIVSA-N 1 3 320.441 0.368 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001365858318 951621196 /nfs/dbraw/zinc/62/11/96/951621196.db2.gz OCKDQIWHLQSJMH-ZNMIVQPWSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CCC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001332575557 951702960 /nfs/dbraw/zinc/70/29/60/951702960.db2.gz QQMQNBFNKPCNGC-HNNXBMFYSA-N 1 3 308.426 0.941 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC001332946030 951860257 /nfs/dbraw/zinc/86/02/57/951860257.db2.gz RSWVUMXSCXHGEN-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN1C[C@@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H](C1)O2 ZINC001275101591 951957410 /nfs/dbraw/zinc/95/74/10/951957410.db2.gz OWRVOIFKTVRHLY-XHSDSOJGSA-N 1 3 307.438 0.792 20 0 DCADHO CCc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCO ZINC001446934577 1013113204 /nfs/dbraw/zinc/11/32/04/1013113204.db2.gz DRZKNBOIMLYTCP-NVXWUHKLSA-N 1 3 319.449 0.940 20 0 DCADHO CCc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCO ZINC001446934577 1013113187 /nfs/dbraw/zinc/11/31/87/1013113187.db2.gz DRZKNBOIMLYTCP-NVXWUHKLSA-N 1 3 319.449 0.940 20 0 DCADHO CCN1CCN(CC[NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC001335350977 952524417 /nfs/dbraw/zinc/52/44/17/952524417.db2.gz JYBBZQRWJCYBKO-UHFFFAOYSA-N 1 3 305.426 0.637 20 0 DCADHO CN1CCN(C[C@@H](O)CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001335986269 952628823 /nfs/dbraw/zinc/62/88/23/952628823.db2.gz MBPVUVGKKOCYLD-AEFFLSMTSA-N 1 3 324.513 0.591 20 0 DCADHO CN1CCN(C[C@@H](O)CN[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001335986269 952628824 /nfs/dbraw/zinc/62/88/24/952628824.db2.gz MBPVUVGKKOCYLD-AEFFLSMTSA-N 1 3 324.513 0.591 20 0 DCADHO CC(C)C[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)C ZINC001336756497 952762125 /nfs/dbraw/zinc/76/21/25/952762125.db2.gz OVCYLBNBINWJMJ-CVEARBPZSA-N 1 3 300.491 0.161 20 0 DCADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC(N[C@H]2CCOC2)C1 ZINC001412692942 953001319 /nfs/dbraw/zinc/00/13/19/953001319.db2.gz JSISSOKNQZIRER-XJKSGUPXSA-N 1 3 307.438 0.983 20 0 DCADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC(N[C@H]2CCOC2)C1 ZINC001412692942 953001323 /nfs/dbraw/zinc/00/13/23/953001323.db2.gz JSISSOKNQZIRER-XJKSGUPXSA-N 1 3 307.438 0.983 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCON)CC2)CC1 ZINC001338492790 953020482 /nfs/dbraw/zinc/02/04/82/953020482.db2.gz WHCGHZAQCZSDQQ-UHFFFAOYSA-N 1 3 313.446 0.125 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001338643286 953039774 /nfs/dbraw/zinc/03/97/74/953039774.db2.gz HBDJVEKTCOAPGF-JKSUJKDBSA-N 1 3 322.453 0.537 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001340119234 953146356 /nfs/dbraw/zinc/14/63/56/953146356.db2.gz CLTCMTYUVKAMGR-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C2(C[NH3+])CC(O)C2)C[C@H](C)O1 ZINC001340184957 953152501 /nfs/dbraw/zinc/15/25/01/953152501.db2.gz QCMGOQWFGVTZJU-KKNUOHPOSA-N 1 3 313.442 0.092 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001341553837 953237167 /nfs/dbraw/zinc/23/71/67/953237167.db2.gz CFPMZLVQWVBQRV-MELADBBJSA-N 1 3 313.442 0.751 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001366036494 953609173 /nfs/dbraw/zinc/60/91/73/953609173.db2.gz VZRPFKFUMMMQSS-ZBFHGGJFSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C(=O)CN[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001366042438 953617750 /nfs/dbraw/zinc/61/77/50/953617750.db2.gz ZXHDILMPRADLRQ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CN[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001366042438 953617757 /nfs/dbraw/zinc/61/77/57/953617757.db2.gz ZXHDILMPRADLRQ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001366067411 953644515 /nfs/dbraw/zinc/64/45/15/953644515.db2.gz VZRPFKFUMMMQSS-GDBMZVCRSA-N 1 3 324.469 0.289 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001366104652 953690588 /nfs/dbraw/zinc/69/05/88/953690588.db2.gz TZYYFPUQAIUQFM-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001366123760 953714455 /nfs/dbraw/zinc/71/44/55/953714455.db2.gz BVRBARYOSALUBT-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001366127001 953719872 /nfs/dbraw/zinc/71/98/72/953719872.db2.gz PCEQDGKVZXAFES-XUXIUFHCSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001366160493 953758938 /nfs/dbraw/zinc/75/89/38/953758938.db2.gz FQZZXFUVAPASKR-MQYQWHSLSA-N 1 3 312.458 0.286 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001366207135 953824708 /nfs/dbraw/zinc/82/47/08/953824708.db2.gz SCFAGNGERYIXKK-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001366246149 953888188 /nfs/dbraw/zinc/88/81/88/953888188.db2.gz FXVRIHIMVKHLAN-JXQTWKCFSA-N 1 3 312.458 0.480 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001346478205 953897677 /nfs/dbraw/zinc/89/76/77/953897677.db2.gz LIMCFWQIGUEWKG-CABCVRRESA-N 1 3 308.426 0.147 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001283085385 953990226 /nfs/dbraw/zinc/99/02/26/953990226.db2.gz DJEFZNOIKNGBKE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001283085385 953990236 /nfs/dbraw/zinc/99/02/36/953990236.db2.gz DJEFZNOIKNGBKE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001366324085 954025861 /nfs/dbraw/zinc/02/58/61/954025861.db2.gz MKMCODOLQQBIGQ-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)N(C)C ZINC001366393455 954146251 /nfs/dbraw/zinc/14/62/51/954146251.db2.gz TZQUGSVMBRCJJC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366405176 954159528 /nfs/dbraw/zinc/15/95/28/954159528.db2.gz DJTZRTWBBMHHME-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001366514788 954304198 /nfs/dbraw/zinc/30/41/98/954304198.db2.gz VHALVEUZHZBPQC-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001366835007 954906499 /nfs/dbraw/zinc/90/64/99/954906499.db2.gz VDOBLBAQJUCQPH-ZIAGYGMSSA-N 1 3 314.474 0.630 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366882401 954991191 /nfs/dbraw/zinc/99/11/91/954991191.db2.gz BQVNTIGFFJRPRR-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367213955 955464548 /nfs/dbraw/zinc/46/45/48/955464548.db2.gz NRBPQMBPJAIQDF-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001367213955 955464558 /nfs/dbraw/zinc/46/45/58/955464558.db2.gz NRBPQMBPJAIQDF-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001367218272 955472154 /nfs/dbraw/zinc/47/21/54/955472154.db2.gz ZCQRBUASSQFMDX-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001367228052 955485155 /nfs/dbraw/zinc/48/51/55/955485155.db2.gz MCZRZKDJVHIHRU-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367286664 955588329 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ZINC001357993873 957412772 /nfs/dbraw/zinc/41/27/72/957412772.db2.gz MPDAVKDTYVPNPQ-VUBDOFJKSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNC(=O)[C@H]2CCCN2C)C1 ZINC001357993873 957412778 /nfs/dbraw/zinc/41/27/78/957412778.db2.gz MPDAVKDTYVPNPQ-VUBDOFJKSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2[NH2+]CC23CCCC3)CC1 ZINC001521187086 1017334699 /nfs/dbraw/zinc/33/46/99/1017334699.db2.gz FLCZTKRYGUOKQB-HNNXBMFYSA-N 1 3 308.470 0.662 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001367358907 957715012 /nfs/dbraw/zinc/71/50/12/957715012.db2.gz QLORWDLJBUNVQE-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001367358907 957715018 /nfs/dbraw/zinc/71/50/18/957715018.db2.gz QLORWDLJBUNVQE-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367708527 958415227 /nfs/dbraw/zinc/41/52/27/958415227.db2.gz XIZVOFYLWOIWOZ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001367740592 958478318 /nfs/dbraw/zinc/47/83/18/958478318.db2.gz RLDIDARICKFXEB-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001367740592 958478333 /nfs/dbraw/zinc/47/83/33/958478333.db2.gz RLDIDARICKFXEB-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367753955 958503423 /nfs/dbraw/zinc/50/34/23/958503423.db2.gz SJWWAFKKFWQWSN-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367757649 958511624 /nfs/dbraw/zinc/51/16/24/958511624.db2.gz VVODPOIYSSOXPY-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367757649 958511633 /nfs/dbraw/zinc/51/16/33/958511633.db2.gz VVODPOIYSSOXPY-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001298412333 958590639 /nfs/dbraw/zinc/59/06/39/958590639.db2.gz FIOSGKWEFJTSBH-BEWKBBBFSA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001298412333 958590652 /nfs/dbraw/zinc/59/06/52/958590652.db2.gz FIOSGKWEFJTSBH-BEWKBBBFSA-N 1 3 324.469 0.313 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC(=O)NC ZINC001367872295 958747934 /nfs/dbraw/zinc/74/79/34/958747934.db2.gz ZIHYYQAGKXUTTM-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](CNCC(=O)NC)C2CC2)C1 ZINC001367902009 958819286 /nfs/dbraw/zinc/81/92/86/958819286.db2.gz GKEPOIBBNOVXER-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](CNCC(=O)NC)C2CC2)C1 ZINC001367902009 958819300 /nfs/dbraw/zinc/81/93/00/958819300.db2.gz GKEPOIBBNOVXER-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCCNC1=O ZINC001491578780 958871616 /nfs/dbraw/zinc/87/16/16/958871616.db2.gz HICJISGNBCKDQU-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001376805847 958885616 /nfs/dbraw/zinc/88/56/16/958885616.db2.gz DOYVMOCWCZIHMQ-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001491639763 958994817 /nfs/dbraw/zinc/99/48/17/958994817.db2.gz QZWMMXHNSMGCBY-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001491639763 958994823 /nfs/dbraw/zinc/99/48/23/958994823.db2.gz QZWMMXHNSMGCBY-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1 ZINC001367997341 959051136 /nfs/dbraw/zinc/05/11/36/959051136.db2.gz NMAOUNGOPUXBAI-ZIAGYGMSSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1 ZINC001367997341 959051155 /nfs/dbraw/zinc/05/11/55/959051155.db2.gz NMAOUNGOPUXBAI-ZIAGYGMSSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)[NH+]1CCCC1 ZINC001376885757 959061235 /nfs/dbraw/zinc/06/12/35/959061235.db2.gz WNWJLWNMPBTMPQ-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001376914009 959124110 /nfs/dbraw/zinc/12/41/10/959124110.db2.gz GKFFNDRAQITNAL-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001376917646 959131696 /nfs/dbraw/zinc/13/16/96/959131696.db2.gz GUICXFKPYSEVDN-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001376948863 959188397 /nfs/dbraw/zinc/18/83/97/959188397.db2.gz LHVGEXAEKGNWLA-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCc2ccnn2C)C1 ZINC001491859747 959307905 /nfs/dbraw/zinc/30/79/05/959307905.db2.gz YJKOFELPPXZSMD-OAHLLOKOSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001368139269 959309278 /nfs/dbraw/zinc/30/92/78/959309278.db2.gz MEVGKNUWNVURBU-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001368139269 959309293 /nfs/dbraw/zinc/30/92/93/959309293.db2.gz MEVGKNUWNVURBU-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001368139269 959309310 /nfs/dbraw/zinc/30/93/10/959309310.db2.gz MEVGKNUWNVURBU-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001491855652 959311144 /nfs/dbraw/zinc/31/11/44/959311144.db2.gz GHKMGQXKUOUWOF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001368347052 959705978 /nfs/dbraw/zinc/70/59/78/959705978.db2.gz SVYFJDNYUGSSAH-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001377283656 959853406 /nfs/dbraw/zinc/85/34/06/959853406.db2.gz LRHIKPYFKLWWDI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001368448020 959876280 /nfs/dbraw/zinc/87/62/80/959876280.db2.gz ASGGMFWYIKCMJX-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001368514841 959967650 /nfs/dbraw/zinc/96/76/50/959967650.db2.gz WVNKPBLYSABFEY-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001368514841 959967655 /nfs/dbraw/zinc/96/76/55/959967655.db2.gz WVNKPBLYSABFEY-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001368517216 959971287 /nfs/dbraw/zinc/97/12/87/959971287.db2.gz SPEMXRXDVVBYOG-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]C[C@H](C)OC)CCOCC1)N(C)C ZINC001368634059 960108368 /nfs/dbraw/zinc/10/83/68/960108368.db2.gz ANLMAFZIXVXNRD-KBPBESRZSA-N 1 3 315.458 0.617 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001368653746 960124693 /nfs/dbraw/zinc/12/46/93/960124693.db2.gz GPAGQHVRCBKUKR-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001368747046 960223272 /nfs/dbraw/zinc/22/32/72/960223272.db2.gz DIADFLOSQZXAID-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001368747046 960223275 /nfs/dbraw/zinc/22/32/75/960223275.db2.gz DIADFLOSQZXAID-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@H+](CC)CC(N)=O)CC1)N(C)C ZINC001368776510 960253575 /nfs/dbraw/zinc/25/35/75/960253575.db2.gz JIDIKJDZEHWHTR-AWEZNQCLSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)CC(N)=O)CC1)N(C)C ZINC001368776510 960253582 /nfs/dbraw/zinc/25/35/82/960253582.db2.gz JIDIKJDZEHWHTR-AWEZNQCLSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001377593795 960334503 /nfs/dbraw/zinc/33/45/03/960334503.db2.gz KXLOMUIWVMOZRT-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC(N)=O)CC1 ZINC001377610876 960354287 /nfs/dbraw/zinc/35/42/87/960354287.db2.gz OPTVYGRHSXPRAW-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1nc([C@H](C)N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001377707199 960472084 /nfs/dbraw/zinc/47/20/84/960472084.db2.gz LPPAWYJCUGIMPL-JSGCOSHPSA-N 1 3 322.457 0.954 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001377713533 960489980 /nfs/dbraw/zinc/48/99/80/960489980.db2.gz KWIQGDFFKIUDKY-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001363154359 960496136 /nfs/dbraw/zinc/49/61/36/960496136.db2.gz GDTATOOXVLFUFF-OAGGEKHMSA-N 1 3 305.422 0.371 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001363154359 960496146 /nfs/dbraw/zinc/49/61/46/960496146.db2.gz GDTATOOXVLFUFF-OAGGEKHMSA-N 1 3 305.422 0.371 20 0 DCADHO Cn1cnnc1C[C@@]1(O)CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC001548945261 1013196268 /nfs/dbraw/zinc/19/62/68/1013196268.db2.gz FWXOYFGXPQIVGO-HOCLYGCPSA-N 1 3 307.442 0.669 20 0 DCADHO Cn1cnnc1C[C@@]1(O)CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC001548945261 1013196274 /nfs/dbraw/zinc/19/62/74/1013196274.db2.gz FWXOYFGXPQIVGO-HOCLYGCPSA-N 1 3 307.442 0.669 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC001378440424 960759300 /nfs/dbraw/zinc/75/93/00/960759300.db2.gz NPEYIJSRSXCHGE-ZQDZILKHSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001378516872 960912493 /nfs/dbraw/zinc/91/24/93/960912493.db2.gz KSLJMDDKEOSZKF-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(CCCF)C1 ZINC001447031908 1013213711 /nfs/dbraw/zinc/21/37/11/1013213711.db2.gz CNPDHTHPEWVGJI-HNNXBMFYSA-N 1 3 303.422 0.631 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(CCCF)C1 ZINC001447031908 1013213723 /nfs/dbraw/zinc/21/37/23/1013213723.db2.gz CNPDHTHPEWVGJI-HNNXBMFYSA-N 1 3 303.422 0.631 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1nccnc1C)N(C)C ZINC001378619269 961139905 /nfs/dbraw/zinc/13/99/05/961139905.db2.gz ZKXGAHOAVYXGAV-IUODEOHRSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001447091012 1013248298 /nfs/dbraw/zinc/24/82/98/1013248298.db2.gz SSDQGCXWDUVJRP-MGPQQGTHSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)C(N)=O)CC1 ZINC001447104782 1013256024 /nfs/dbraw/zinc/25/60/24/1013256024.db2.gz OFWAOKQJEQOISI-MGPQQGTHSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)CN(C)C1CCC1 ZINC001378775709 961453719 /nfs/dbraw/zinc/45/37/19/961453719.db2.gz NCMWKYANJLVMDK-OLZOCXBDSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001378792875 961487583 /nfs/dbraw/zinc/48/75/83/961487583.db2.gz SKJKQOQFPYPWOJ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001378817458 961536034 /nfs/dbraw/zinc/53/60/34/961536034.db2.gz QYAOFHUWAABAGC-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001378817458 961536042 /nfs/dbraw/zinc/53/60/42/961536042.db2.gz QYAOFHUWAABAGC-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001378836745 961557907 /nfs/dbraw/zinc/55/79/07/961557907.db2.gz AFOVAJZROXPOPL-OLZOCXBDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nccn1C ZINC001378918816 961707597 /nfs/dbraw/zinc/70/75/97/961707597.db2.gz SGHCBKXPCNQLLD-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379016334 961887969 /nfs/dbraw/zinc/88/79/69/961887969.db2.gz AJQHWSDBFUMJGO-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001379016334 961887991 /nfs/dbraw/zinc/88/79/91/961887991.db2.gz AJQHWSDBFUMJGO-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cccn1 ZINC001379045837 961962698 /nfs/dbraw/zinc/96/26/98/961962698.db2.gz MUDHRLUYNYFDGL-HZPDHXFCSA-N 1 3 321.469 0.955 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(CNC(=O)CCC[NH+](C)C)CC2)C1 ZINC001379084357 962057742 /nfs/dbraw/zinc/05/77/42/962057742.db2.gz YXEDOJPTDFUUAW-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cnn(C)c1)C1CC1 ZINC001379917090 962294177 /nfs/dbraw/zinc/29/41/77/962294177.db2.gz MEWCOOVFNOCVRZ-HNNXBMFYSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N(C)CC1CC1 ZINC001379200700 962345991 /nfs/dbraw/zinc/34/59/91/962345991.db2.gz TZMSTOAAMBYXIR-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001380076202 962620113 /nfs/dbraw/zinc/62/01/13/962620113.db2.gz SRGWXHUEMMUTCB-JHJVBQTASA-N 1 3 312.458 0.193 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001380076202 962620126 /nfs/dbraw/zinc/62/01/26/962620126.db2.gz SRGWXHUEMMUTCB-JHJVBQTASA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC001380085694 962638118 /nfs/dbraw/zinc/63/81/18/962638118.db2.gz QRAOHLMYAFOYDY-QWHCGFSZSA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC001380085694 962638122 /nfs/dbraw/zinc/63/81/22/962638122.db2.gz QRAOHLMYAFOYDY-QWHCGFSZSA-N 1 3 310.442 0.362 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCc2ccnn2C)CC1)N(C)C ZINC001380134271 962736037 /nfs/dbraw/zinc/73/60/37/962736037.db2.gz IAKKKQVCAAANLD-OAHLLOKOSA-N 1 3 321.469 0.787 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001380274818 962974155 /nfs/dbraw/zinc/97/41/55/962974155.db2.gz WVMCKEYVNAIWJD-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC001380285002 962988236 /nfs/dbraw/zinc/98/82/36/962988236.db2.gz MHCVYTJWDRVNAR-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001380288826 962994827 /nfs/dbraw/zinc/99/48/27/962994827.db2.gz YLZWECPNURZIOF-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2ccc(F)cc2)C1 ZINC001379530425 963137504 /nfs/dbraw/zinc/13/75/04/963137504.db2.gz SZZHTWGZZYOMDM-UKRRQHHQSA-N 1 3 309.385 0.344 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2ccc(F)cc2)C1 ZINC001379530425 963137510 /nfs/dbraw/zinc/13/75/10/963137510.db2.gz SZZHTWGZZYOMDM-UKRRQHHQSA-N 1 3 309.385 0.344 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cncn2C)[C@@H]1C ZINC001379564472 963185774 /nfs/dbraw/zinc/18/57/74/963185774.db2.gz DRPDRNSIQWMYKW-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cncn2C)[C@@H]1C ZINC001379564472 963185782 /nfs/dbraw/zinc/18/57/82/963185782.db2.gz DRPDRNSIQWMYKW-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC001379581173 963212241 /nfs/dbraw/zinc/21/22/41/963212241.db2.gz GABBZAVDPSIIPN-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001379599842 963248462 /nfs/dbraw/zinc/24/84/62/963248462.db2.gz NWDGYHGXMWOWPU-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001379599845 963248749 /nfs/dbraw/zinc/24/87/49/963248749.db2.gz NWDGYHGXMWOWPU-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cncn2C)C1 ZINC001381123692 963829874 /nfs/dbraw/zinc/82/98/74/963829874.db2.gz NZRNAHZSHKRDDU-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001447536553 1013459382 /nfs/dbraw/zinc/45/93/82/1013459382.db2.gz CZAIZVWCVJHDCJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCc1ccnn1C ZINC001381383716 964038685 /nfs/dbraw/zinc/03/86/85/964038685.db2.gz FLJKBDMCRAFPKL-ZIAGYGMSSA-N 1 3 321.469 0.930 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001375514359 964496882 /nfs/dbraw/zinc/49/68/82/964496882.db2.gz SDSQYMMQRUQYQI-VNHYZAJKSA-N 1 3 312.458 0.193 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001369184865 964503507 /nfs/dbraw/zinc/50/35/07/964503507.db2.gz ILPLBZBSVGCHCT-AWEZNQCLSA-N 1 3 324.469 0.659 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001375545865 964536012 /nfs/dbraw/zinc/53/60/12/964536012.db2.gz WRWOETGWXFTYQP-DZKIICNBSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001375557238 964547904 /nfs/dbraw/zinc/54/79/04/964547904.db2.gz OPGDWZIAMPCXAU-YDHLFZDLSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001375560683 964552324 /nfs/dbraw/zinc/55/23/24/964552324.db2.gz LLNGMPRGHCOQKU-SHTZXODSSA-N 1 3 307.442 0.708 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001369252355 964601927 /nfs/dbraw/zinc/60/19/27/964601927.db2.gz PHVUHFOJVMBEDH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001369252355 964601936 /nfs/dbraw/zinc/60/19/36/964601936.db2.gz PHVUHFOJVMBEDH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCC(=O)N(C)C ZINC001369269251 964627846 /nfs/dbraw/zinc/62/78/46/964627846.db2.gz LESISDTWJHPMFE-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001369300946 964681103 /nfs/dbraw/zinc/68/11/03/964681103.db2.gz ZOXVDZLPTQKHLJ-UKRRQHHQSA-N 1 3 314.474 0.534 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001373960716 964822434 /nfs/dbraw/zinc/82/24/34/964822434.db2.gz RJAZWVZVRSKNSK-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001373964075 964824104 /nfs/dbraw/zinc/82/41/04/964824104.db2.gz PDMZUJSRYQVYDT-MCIONIFRSA-N 1 3 312.458 0.417 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001369372072 964845668 /nfs/dbraw/zinc/84/56/68/964845668.db2.gz HMYPYAQGDGSUBW-OLZOCXBDSA-N 1 3 321.412 0.829 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C[C@H]1C ZINC001369407118 964921114 /nfs/dbraw/zinc/92/11/14/964921114.db2.gz YSOLLOSVTKWKAP-CABCVRRESA-N 1 3 321.469 0.882 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001375889441 964959220 /nfs/dbraw/zinc/95/92/20/964959220.db2.gz MPWILRVFWLMALQ-WBMJQRKESA-N 1 3 322.457 0.954 20 0 DCADHO C[C@H]1[C@H](NC(=O)COC2CC[NH+](C)CC2)CCCN1CCO ZINC001369439666 964978915 /nfs/dbraw/zinc/97/89/15/964978915.db2.gz YFIXXSQCSCMTRQ-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNCc1ccccn1)[NH+](C)C ZINC001369478181 965047733 /nfs/dbraw/zinc/04/77/33/965047733.db2.gz CUELFNUMHMLTMQ-JKSUJKDBSA-N 1 3 322.453 0.577 20 0 DCADHO CC(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001369527131 965139270 /nfs/dbraw/zinc/13/92/70/965139270.db2.gz NMDPYNGMBBWJEF-CABCVRRESA-N 1 3 301.475 0.980 20 0 DCADHO CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001369527131 965139279 /nfs/dbraw/zinc/13/92/79/965139279.db2.gz NMDPYNGMBBWJEF-CABCVRRESA-N 1 3 301.475 0.980 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)C1CC(NCc2cnnn2C)C1 ZINC001369574799 965186475 /nfs/dbraw/zinc/18/64/75/965186475.db2.gz QETBJELBSVXDRU-UHFFFAOYSA-N 1 3 308.430 0.236 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001374314527 965267764 /nfs/dbraw/zinc/26/77/64/965267764.db2.gz SJKLFZYCSXUBNB-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001374327970 965287471 /nfs/dbraw/zinc/28/74/71/965287471.db2.gz SIRDPJLZBCGGMR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cn(C)nn1 ZINC001374379151 965325550 /nfs/dbraw/zinc/32/55/50/965325550.db2.gz CEKZXWACGTXJTO-JSGCOSHPSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N(C)C3CC3)C2)C1 ZINC001376329972 965530881 /nfs/dbraw/zinc/53/08/81/965530881.db2.gz KCBUHCAHNHZIPL-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N(C)C3CC3)C2)C1 ZINC001376329972 965530889 /nfs/dbraw/zinc/53/08/89/965530889.db2.gz KCBUHCAHNHZIPL-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001369894924 965533927 /nfs/dbraw/zinc/53/39/27/965533927.db2.gz PGZUIWWDLZCLSA-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001369894925 965534084 /nfs/dbraw/zinc/53/40/84/965534084.db2.gz PGZUIWWDLZCLSA-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1nnc(C)[nH]1 ZINC001374568495 965546872 /nfs/dbraw/zinc/54/68/72/965546872.db2.gz DMSRQPIIDCEWJX-KGLIPLIRSA-N 1 3 322.457 0.829 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1nnc(C)[nH]1 ZINC001374568495 965546886 /nfs/dbraw/zinc/54/68/86/965546886.db2.gz DMSRQPIIDCEWJX-KGLIPLIRSA-N 1 3 322.457 0.829 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001376478763 965713035 /nfs/dbraw/zinc/71/30/35/965713035.db2.gz OQAGENLPAQCEOV-BARDWOONSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)CN(C)C(C)C)C1)[NH+](C)C ZINC001374727227 965823392 /nfs/dbraw/zinc/82/33/92/965823392.db2.gz DDLOZZIIUHMXAC-HNNXBMFYSA-N 1 3 312.458 0.240 20 0 DCADHO C[C@H](N[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1)C(N)=O ZINC001370186357 965868137 /nfs/dbraw/zinc/86/81/37/965868137.db2.gz SVPKHNVSGJQDAW-JSGCOSHPSA-N 1 3 322.453 0.221 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001376600505 965876008 /nfs/dbraw/zinc/87/60/08/965876008.db2.gz BGXDLSXCZLZGOP-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001376600508 965876419 /nfs/dbraw/zinc/87/64/19/965876419.db2.gz BGXDLSXCZLZGOP-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001376609946 965889924 /nfs/dbraw/zinc/88/99/24/965889924.db2.gz HMUFUAGHQDRNBN-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)CC1 ZINC001370210770 965891764 /nfs/dbraw/zinc/89/17/64/965891764.db2.gz FWFWLMQXDRDPPI-OAHLLOKOSA-N 1 3 322.453 0.091 20 0 DCADHO C[NH+](C)CCC(=O)N1CC2(C1)CCN([C@H]1CCCNC1=O)CC2 ZINC001376623366 965905090 /nfs/dbraw/zinc/90/50/90/965905090.db2.gz JTGQVEFKAHGJNA-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001447877398 1013617227 /nfs/dbraw/zinc/61/72/27/1013617227.db2.gz LZNRZNBEPLGBEG-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001374887572 966094419 /nfs/dbraw/zinc/09/44/19/966094419.db2.gz ZWSQVRHYDFYTMB-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001376748853 966111479 /nfs/dbraw/zinc/11/14/79/966111479.db2.gz RZRCTHBCQLSSOS-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001376748853 966111490 /nfs/dbraw/zinc/11/14/90/966111490.db2.gz RZRCTHBCQLSSOS-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370431208 966113645 /nfs/dbraw/zinc/11/36/45/966113645.db2.gz PXWOLYPUUXPGPU-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001376752492 966118263 /nfs/dbraw/zinc/11/82/63/966118263.db2.gz SEVXRMBFBSPXFC-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CNCC(=O)NCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374976532 966188918 /nfs/dbraw/zinc/18/89/18/966188918.db2.gz ISXMVQXXQMMUBC-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNCC(=O)NCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374976532 966188922 /nfs/dbraw/zinc/18/89/22/966188922.db2.gz ISXMVQXXQMMUBC-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001370511097 966199372 /nfs/dbraw/zinc/19/93/72/966199372.db2.gz CQXYDBVXLAPAQK-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001370518220 966205238 /nfs/dbraw/zinc/20/52/38/966205238.db2.gz OQAGENLPAQCEOV-AJNGGQMLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC(C)C)C1)N(C)C ZINC001370647662 966326869 /nfs/dbraw/zinc/32/68/69/966326869.db2.gz HISNUPGEOLFOIG-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N1CCCC1 ZINC001370927193 966593576 /nfs/dbraw/zinc/59/35/76/966593576.db2.gz GWIUJJOUGVIDKD-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001381633004 966598077 /nfs/dbraw/zinc/59/80/77/966598077.db2.gz WDFVVRPWSJEGJZ-AWEZNQCLSA-N 1 3 322.453 0.664 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001381633004 966598085 /nfs/dbraw/zinc/59/80/85/966598085.db2.gz WDFVVRPWSJEGJZ-AWEZNQCLSA-N 1 3 322.453 0.664 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001371027515 966677957 /nfs/dbraw/zinc/67/79/57/966677957.db2.gz VVURSNOHVYKNDX-LVNYTYFRSA-N 1 3 309.454 0.536 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001371027515 966677964 /nfs/dbraw/zinc/67/79/64/966677964.db2.gz VVURSNOHVYKNDX-LVNYTYFRSA-N 1 3 309.454 0.536 20 0 DCADHO C[NH+](C)CCC(=O)N1CC2(C1)CCCN(CCn1cccn1)C2 ZINC001381930200 966788005 /nfs/dbraw/zinc/78/80/05/966788005.db2.gz LFIQMBGRQUNWRR-UHFFFAOYSA-N 1 3 319.453 0.759 20 0 DCADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H](CNCC(N)=O)C1CC1 ZINC001382022297 966871656 /nfs/dbraw/zinc/87/16/56/966871656.db2.gz YZWQWEWUBKIVTM-AWEZNQCLSA-N 1 3 322.453 0.174 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](CNCc1ccnn1C)C1CC1 ZINC001382029471 966877162 /nfs/dbraw/zinc/87/71/62/966877162.db2.gz MQHGJMFUBXWUGD-GOEBONIOSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](CNCc1ccnn1C)C1CC1 ZINC001382029471 966877164 /nfs/dbraw/zinc/87/71/64/966877164.db2.gz MQHGJMFUBXWUGD-GOEBONIOSA-N 1 3 319.453 0.698 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001371365871 966936534 /nfs/dbraw/zinc/93/65/34/966936534.db2.gz TXNNQWUJZRQIRP-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC(C)(C)C ZINC001382156433 966989694 /nfs/dbraw/zinc/98/96/94/966989694.db2.gz CBLKELVRQSPJRB-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001371464457 967015319 /nfs/dbraw/zinc/01/53/19/967015319.db2.gz ATGOBNUNKDPNGT-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001371464457 967015327 /nfs/dbraw/zinc/01/53/27/967015327.db2.gz ATGOBNUNKDPNGT-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001371469956 967018391 /nfs/dbraw/zinc/01/83/91/967018391.db2.gz IZSPIBKCWMMLHH-GXTWGEPZSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001371469956 967018401 /nfs/dbraw/zinc/01/84/01/967018401.db2.gz IZSPIBKCWMMLHH-GXTWGEPZSA-N 1 3 306.410 0.636 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC(C)CC1 ZINC001371475420 967025345 /nfs/dbraw/zinc/02/53/45/967025345.db2.gz SGTFDCLKVLDPFN-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC(C)CC1 ZINC001371475420 967025348 /nfs/dbraw/zinc/02/53/48/967025348.db2.gz SGTFDCLKVLDPFN-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC1CC1)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001371529608 967085868 /nfs/dbraw/zinc/08/58/68/967085868.db2.gz MWKIUAUICUZENF-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN(C(=O)CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001371533519 967089801 /nfs/dbraw/zinc/08/98/01/967089801.db2.gz YVFFFHCXIBLWBM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001371625574 967181726 /nfs/dbraw/zinc/18/17/26/967181726.db2.gz BPPVIKJEHBLRPP-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001382378172 967290200 /nfs/dbraw/zinc/29/02/00/967290200.db2.gz OPSHKHQSQGFHMK-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001382378172 967290210 /nfs/dbraw/zinc/29/02/10/967290210.db2.gz OPSHKHQSQGFHMK-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@H](CC)C(N)=O)C(C)(C)C1 ZINC001382379139 967292174 /nfs/dbraw/zinc/29/21/74/967292174.db2.gz QYGJTQSVYAUBIY-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001371801626 967351685 /nfs/dbraw/zinc/35/16/85/967351685.db2.gz ZOGZQMRMXFLKJC-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001371801626 967351694 /nfs/dbraw/zinc/35/16/94/967351694.db2.gz ZOGZQMRMXFLKJC-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)[C@H]1CCCN1C ZINC001371816522 967363558 /nfs/dbraw/zinc/36/35/58/967363558.db2.gz VWKJJVOIEDCFQN-HZSPNIEDSA-N 1 3 310.442 0.138 20 0 DCADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@@H]1CCCCO1 ZINC001371967294 967497465 /nfs/dbraw/zinc/49/74/65/967497465.db2.gz ABSNXHOYBWFTTF-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)NC1CCCC1 ZINC001372992846 968606071 /nfs/dbraw/zinc/60/60/71/968606071.db2.gz OZBKUSDETWBLAE-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1cncc1C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001373155885 968768101 /nfs/dbraw/zinc/76/81/01/968768101.db2.gz KWYNHOGTRSBEQE-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001373155885 968768108 /nfs/dbraw/zinc/76/81/08/968768108.db2.gz KWYNHOGTRSBEQE-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO CCCC[C@@H](CN[C@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001448255614 1013845912 /nfs/dbraw/zinc/84/59/12/1013845912.db2.gz ARIOZTVEQMCVQH-KBPBESRZSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](NCc1ccnn1C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001448471520 1013923230 /nfs/dbraw/zinc/92/32/30/1013923230.db2.gz UAFGAPSXIJKDFN-HIFRSBDPSA-N 1 3 323.441 0.077 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001448716665 1014009395 /nfs/dbraw/zinc/00/93/95/1014009395.db2.gz CFOPUGHQJVUBJC-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001448733439 1014015909 /nfs/dbraw/zinc/01/59/09/1014015909.db2.gz KIHQBEYMFXODPT-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC001549215748 1014175041 /nfs/dbraw/zinc/17/50/41/1014175041.db2.gz SSRVFKYSPHRPMJ-XHSDSOJGSA-N 1 3 318.421 0.420 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3CC[NH2+]C[C@@H]3F)C2)nn1 ZINC001549292426 1014199092 /nfs/dbraw/zinc/19/90/92/1014199092.db2.gz CCOOHENHGJHWAA-YUTCNCBUSA-N 1 3 324.404 0.238 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC001549298430 1014206137 /nfs/dbraw/zinc/20/61/37/1014206137.db2.gz DHQJQJJVELPTGR-OWCLPIDISA-N 1 3 303.406 0.627 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001449185869 1014277132 /nfs/dbraw/zinc/27/71/32/1014277132.db2.gz DMBVXFRULFPXOT-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001449185036 1014277975 /nfs/dbraw/zinc/27/79/75/1014277975.db2.gz KKFDHZHFISEHLZ-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(CCN(C)C[C@@H](C)O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001449256815 1014357756 /nfs/dbraw/zinc/35/77/56/1014357756.db2.gz BFNUVGDMDLNDIZ-GDBMZVCRSA-N 1 3 311.470 0.878 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001449288538 1014384450 /nfs/dbraw/zinc/38/44/50/1014384450.db2.gz DXKIIGFXJFXMRK-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549663449 1014387644 /nfs/dbraw/zinc/38/76/44/1014387644.db2.gz AGQZBMVERCTYEU-KFWWJZLASA-N 1 3 320.441 0.466 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549663449 1014387654 /nfs/dbraw/zinc/38/76/54/1014387654.db2.gz AGQZBMVERCTYEU-KFWWJZLASA-N 1 3 320.441 0.466 20 0 DCADHO N[C@H](CC(F)F)C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549724924 1014424989 /nfs/dbraw/zinc/42/49/89/1014424989.db2.gz IRCBCSXOJVZWTN-MWLCHTKSSA-N 1 3 313.352 0.218 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CCC[C@@H]1C ZINC001449393239 1014453961 /nfs/dbraw/zinc/45/39/61/1014453961.db2.gz QCEWTOPPEVQEAT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCC[C@@H]1C ZINC001449393239 1014453965 /nfs/dbraw/zinc/45/39/65/1014453965.db2.gz QCEWTOPPEVQEAT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[C@H]([NH+]2CCC(NC(=O)c3coc(CN)c3)CC2)C1=O ZINC001550092523 1014563948 /nfs/dbraw/zinc/56/39/48/1014563948.db2.gz INRVSHZJDPBXAN-AWEZNQCLSA-N 1 3 320.393 0.163 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449613217 1014586123 /nfs/dbraw/zinc/58/61/23/1014586123.db2.gz UTZTUDBHLILWRV-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449613217 1014586134 /nfs/dbraw/zinc/58/61/34/1014586134.db2.gz UTZTUDBHLILWRV-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC001550121840 1014588161 /nfs/dbraw/zinc/58/81/61/1014588161.db2.gz ADAJSGBRHHUJRA-MELADBBJSA-N 1 3 318.425 0.511 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC001550195855 1014621776 /nfs/dbraw/zinc/62/17/76/1014621776.db2.gz HOHYEDBGAOSVIT-UHFFFAOYSA-N 1 3 322.453 0.590 20 0 DCADHO CC(C)[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200106 1014625969 /nfs/dbraw/zinc/62/59/69/1014625969.db2.gz RSBBIGDUMRMIKK-CYBMUJFWSA-N 1 3 310.442 0.302 20 0 DCADHO CCC[C@](C)([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204907 1014627450 /nfs/dbraw/zinc/62/74/50/1014627450.db2.gz UTDRQTNSWPSPKL-INIZCTEOSA-N 1 3 324.469 0.836 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN3C[C@@H](O)C[C@@H]3C2)C1 ZINC001550275669 1014645655 /nfs/dbraw/zinc/64/56/55/1014645655.db2.gz FLLDKWKUEAQNRV-MJBXVCDLSA-N 1 3 310.442 0.225 20 0 DCADHO CC[C@H](C(=O)N(C)CCCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001523647684 1014728421 /nfs/dbraw/zinc/72/84/21/1014728421.db2.gz KGAPVZLLFOLPQJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001416939196 984868972 /nfs/dbraw/zinc/86/89/72/984868972.db2.gz FXPVOROBJASTOV-LBPRGKRZSA-N 1 3 300.447 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001383829018 985122170 /nfs/dbraw/zinc/12/21/70/985122170.db2.gz PLPAQLIAJULEQQ-GFCCVEGCSA-N 1 3 323.441 0.566 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001383829018 985122173 /nfs/dbraw/zinc/12/21/73/985122173.db2.gz PLPAQLIAJULEQQ-GFCCVEGCSA-N 1 3 323.441 0.566 20 0 DCADHO CN(C[C@H]1CCN1C(=O)[C@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001384420816 985566625 /nfs/dbraw/zinc/56/66/25/985566625.db2.gz CGTADMZYGKVGMA-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NC2CC3(C[C@H]3[NH3+])C2)CC1 ZINC001551617696 1015160110 /nfs/dbraw/zinc/16/01/10/1015160110.db2.gz XBHJWTZRJIYSTN-XOYHFGRZSA-N 1 3 323.485 0.582 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001385219929 986165782 /nfs/dbraw/zinc/16/57/82/986165782.db2.gz YTUBCJXKQHGDKG-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001385219929 986165786 /nfs/dbraw/zinc/16/57/86/986165786.db2.gz YTUBCJXKQHGDKG-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001385431078 986345954 /nfs/dbraw/zinc/34/59/54/986345954.db2.gz DQINUNLGBHQCQN-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001385628735 986484535 /nfs/dbraw/zinc/48/45/35/986484535.db2.gz SIESGQSQKBENPZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001385628735 986484536 /nfs/dbraw/zinc/48/45/36/986484536.db2.gz SIESGQSQKBENPZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001386115612 986845115 /nfs/dbraw/zinc/84/51/15/986845115.db2.gz QPSVJZNLYFXZDV-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001386115612 986845127 /nfs/dbraw/zinc/84/51/27/986845127.db2.gz QPSVJZNLYFXZDV-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001386296057 987049206 /nfs/dbraw/zinc/04/92/06/987049206.db2.gz WZNZLMYRAPINAB-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC001552186297 1015308834 /nfs/dbraw/zinc/30/88/34/1015308834.db2.gz ILNAZPSLHANWBD-AIANPOQGSA-N 1 3 322.453 0.620 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)CNC(=O)C1(N(C)C)CCC1 ZINC001532238333 1015319790 /nfs/dbraw/zinc/31/97/90/1015319790.db2.gz XXBJFSXNOZCRPE-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)CNC(=O)C1(N(C)C)CCC1 ZINC001532238333 1015319800 /nfs/dbraw/zinc/31/98/00/1015319800.db2.gz XXBJFSXNOZCRPE-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001387146170 987659957 /nfs/dbraw/zinc/65/99/57/987659957.db2.gz QRDULRMMRBKJCH-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001387761318 988127022 /nfs/dbraw/zinc/12/70/22/988127022.db2.gz KXLFPGJUNOUYNQ-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001387761315 988127417 /nfs/dbraw/zinc/12/74/17/988127417.db2.gz KXLFPGJUNOUYNQ-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCC[NH2+]C2)CC1 ZINC001552421421 1015424092 /nfs/dbraw/zinc/42/40/92/1015424092.db2.gz DNEXHOXSYINFFD-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCN2CCCC2=O)C1 ZINC001389497767 989333604 /nfs/dbraw/zinc/33/36/04/989333604.db2.gz LGEPKZWCAXIJCO-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCN2CCCC2=O)C1 ZINC001389497767 989333610 /nfs/dbraw/zinc/33/36/10/989333610.db2.gz LGEPKZWCAXIJCO-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](NCc1cnnn1C)C1CC1)[NH+](C)C ZINC001389700213 989499380 /nfs/dbraw/zinc/49/93/80/989499380.db2.gz ZFTFPNNBHNZJEG-GJZGRUSLSA-N 1 3 322.457 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001389992369 989734387 /nfs/dbraw/zinc/73/43/87/989734387.db2.gz WAVTWYJNPIZMJV-VNHYZAJKSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001390077271 989799366 /nfs/dbraw/zinc/79/93/66/989799366.db2.gz PCMNCGOKVPOQDJ-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO COc1cc(CNC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001390102397 989822641 /nfs/dbraw/zinc/82/26/41/989822641.db2.gz YPFFQZFXNYLGQS-ZDUSSCGKSA-N 1 3 324.425 0.963 20 0 DCADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001390161714 989883137 /nfs/dbraw/zinc/88/31/37/989883137.db2.gz OOJVZYHVLJHMMN-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC1CCCC1 ZINC001390473396 990131637 /nfs/dbraw/zinc/13/16/37/990131637.db2.gz DIYVKGQQTFMUTR-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N[C@@H]1CCNC1=O ZINC001390491880 990146711 /nfs/dbraw/zinc/14/67/11/990146711.db2.gz JEXHEMRWNUALBC-SWLSCSKDSA-N 1 3 318.421 0.345 20 0 DCADHO Cc1nnc(CN[C@@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001390616453 990248858 /nfs/dbraw/zinc/24/88/58/990248858.db2.gz QOPPZJMAQLZPRU-ZIAGYGMSSA-N 1 3 322.457 0.972 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001552841179 1015549602 /nfs/dbraw/zinc/54/96/02/1015549602.db2.gz MIWXMKCOGFHDKA-KKUMJFAQSA-N 1 3 323.824 0.748 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390666409 990288948 /nfs/dbraw/zinc/28/89/48/990288948.db2.gz RVBXTMNERFVAFO-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001552955779 1015573759 /nfs/dbraw/zinc/57/37/59/1015573759.db2.gz JTVPVHWEXQWPIE-JSGCOSHPSA-N 1 3 321.429 0.178 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001552955779 1015573767 /nfs/dbraw/zinc/57/37/67/1015573767.db2.gz JTVPVHWEXQWPIE-JSGCOSHPSA-N 1 3 321.429 0.178 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCN(CCO)C2CC2)C1 ZINC001391183621 990646961 /nfs/dbraw/zinc/64/69/61/990646961.db2.gz KNPQBKSBSNGAHA-MRXNPFEDSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN(CCO)C2CC2)C1 ZINC001391183621 990646963 /nfs/dbraw/zinc/64/69/63/990646963.db2.gz KNPQBKSBSNGAHA-MRXNPFEDSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001391200524 990664033 /nfs/dbraw/zinc/66/40/33/990664033.db2.gz KIADBUHFXYBZSH-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001391200524 990664037 /nfs/dbraw/zinc/66/40/37/990664037.db2.gz KIADBUHFXYBZSH-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001391215758 990675136 /nfs/dbraw/zinc/67/51/36/990675136.db2.gz VFMDPWKIYUHLMT-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001391698741 991109791 /nfs/dbraw/zinc/10/97/91/991109791.db2.gz UOIICOBOZLCHDR-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NCC2CC2)C1 ZINC001391861004 991231570 /nfs/dbraw/zinc/23/15/70/991231570.db2.gz KKGHEOPQCHFVQK-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NCC2CC2)C1 ZINC001391861004 991231583 /nfs/dbraw/zinc/23/15/83/991231583.db2.gz KKGHEOPQCHFVQK-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001392100137 991490388 /nfs/dbraw/zinc/49/03/88/991490388.db2.gz MMIINWMDDDTXSN-RYUDHWBXSA-N 1 3 300.447 0.275 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001392103235 991493099 /nfs/dbraw/zinc/49/30/99/991493099.db2.gz UOYPDJSDSFKCAZ-OCCSQVGLSA-N 1 3 312.458 0.384 20 0 DCADHO C[NH+](C)C1CC(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553218746 1015643821 /nfs/dbraw/zinc/64/38/21/1015643821.db2.gz DHETWDDLGQLDLY-SSHXOBKSSA-N 1 3 324.469 0.567 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001392320495 991748290 /nfs/dbraw/zinc/74/82/90/991748290.db2.gz ZHYATIPESDDTOF-OAHLLOKOSA-N 1 3 309.458 0.693 20 0 DCADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001392320495 991748300 /nfs/dbraw/zinc/74/83/00/991748300.db2.gz ZHYATIPESDDTOF-OAHLLOKOSA-N 1 3 309.458 0.693 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)CN2CCOCC2)on1 ZINC001392539456 992066349 /nfs/dbraw/zinc/06/63/49/992066349.db2.gz VNFARXNGLLVHQW-TZMCWYRMSA-N 1 3 324.425 0.546 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001392567086 992106589 /nfs/dbraw/zinc/10/65/89/992106589.db2.gz HBOLFPMOIPKZGS-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001392583095 992126262 /nfs/dbraw/zinc/12/62/62/992126262.db2.gz NABGCXLXSGZHKY-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001392583096 992127049 /nfs/dbraw/zinc/12/70/49/992127049.db2.gz NABGCXLXSGZHKY-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2cnn(C)c2)C2CC2)CCC1 ZINC001392769446 992369191 /nfs/dbraw/zinc/36/91/91/992369191.db2.gz ZBNWRPXZEKHQJI-OAHLLOKOSA-N 1 3 319.453 0.889 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCn2cncn2)CC1 ZINC001392905232 992526162 /nfs/dbraw/zinc/52/61/62/992526162.db2.gz GBNNEXYYKMCDCR-CQSZACIVSA-N 1 3 320.441 0.391 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001392962929 992587953 /nfs/dbraw/zinc/58/79/53/992587953.db2.gz NLAVMVRYVVQJKA-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001392962929 992587963 /nfs/dbraw/zinc/58/79/63/992587963.db2.gz NLAVMVRYVVQJKA-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+]1CCCCC1 ZINC001393051753 992651887 /nfs/dbraw/zinc/65/18/87/992651887.db2.gz HUKLIJIRYJXTPG-HOCLYGCPSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001393141450 992714201 /nfs/dbraw/zinc/71/42/01/992714201.db2.gz HSVHOUHTGNKEGD-WMLDXEAASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001393322244 992879164 /nfs/dbraw/zinc/87/91/64/992879164.db2.gz JUVOIIRNBIDHGL-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001393379295 992930156 /nfs/dbraw/zinc/93/01/56/992930156.db2.gz CTAPUMWUKXFQFB-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001393539882 993067612 /nfs/dbraw/zinc/06/76/12/993067612.db2.gz HCMFDDNIANQCMG-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001393539882 993067615 /nfs/dbraw/zinc/06/76/15/993067615.db2.gz HCMFDDNIANQCMG-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001393588534 993108106 /nfs/dbraw/zinc/10/81/06/993108106.db2.gz NDSMDIRUXIRRLS-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NCc2cccnc2)C1 ZINC001393698057 993185160 /nfs/dbraw/zinc/18/51/60/993185160.db2.gz YMADRVJPNVUZMO-QGZVFWFLSA-N 1 3 320.437 0.476 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@](CO)([NH2+]CC2CCC2)C1 ZINC001393699108 993186989 /nfs/dbraw/zinc/18/69/89/993186989.db2.gz SICWVVZRNBSLCZ-INIZCTEOSA-N 1 3 306.410 0.695 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001393971445 993383315 /nfs/dbraw/zinc/38/33/15/993383315.db2.gz SSLMCTYXLPXXIR-AWEZNQCLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001393971445 993383320 /nfs/dbraw/zinc/38/33/20/993383320.db2.gz SSLMCTYXLPXXIR-AWEZNQCLSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]([NH2+]CCF)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001394333863 993629858 /nfs/dbraw/zinc/62/98/58/993629858.db2.gz PWLCHLNDMRUONZ-STQMWFEESA-N 1 3 301.406 0.646 20 0 DCADHO CN(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C ZINC001399723530 993705113 /nfs/dbraw/zinc/70/51/13/993705113.db2.gz RMRKRROIYBCUHX-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394705161 994039375 /nfs/dbraw/zinc/03/93/75/994039375.db2.gz ODYDGWSETCMMFI-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400160765 994216052 /nfs/dbraw/zinc/21/60/52/994216052.db2.gz YKANBPRSDSULNH-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400160765 994216062 /nfs/dbraw/zinc/21/60/62/994216062.db2.gz YKANBPRSDSULNH-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001400300172 994397604 /nfs/dbraw/zinc/39/76/04/994397604.db2.gz LUCQPLPDYKVKPG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001400300172 994397610 /nfs/dbraw/zinc/39/76/10/994397610.db2.gz LUCQPLPDYKVKPG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001507027691 1015901235 /nfs/dbraw/zinc/90/12/35/1015901235.db2.gz KQFFJTAGZWFOGD-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(=O)NC ZINC001400826586 994982635 /nfs/dbraw/zinc/98/26/35/994982635.db2.gz NSQUNVMIGVYIFI-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001400901640 995051131 /nfs/dbraw/zinc/05/11/31/995051131.db2.gz RWTYNSHCNYABJS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001400901640 995051138 /nfs/dbraw/zinc/05/11/38/995051138.db2.gz RWTYNSHCNYABJS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)NCC(=O)NC ZINC001400914171 995061016 /nfs/dbraw/zinc/06/10/16/995061016.db2.gz JYXWHBHIOLEFIK-ZFWWWQNUSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001396514781 995443151 /nfs/dbraw/zinc/44/31/51/995443151.db2.gz SLYVQUIHVLJVLR-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001396514781 995443155 /nfs/dbraw/zinc/44/31/55/995443155.db2.gz SLYVQUIHVLJVLR-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001396934451 995690816 /nfs/dbraw/zinc/69/08/16/995690816.db2.gz BLERFRWPGAPIIN-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001397609981 996094469 /nfs/dbraw/zinc/09/44/69/996094469.db2.gz DDKHGDDVBAFXHP-MCIONIFRSA-N 1 3 312.458 0.288 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001397619247 996100612 /nfs/dbraw/zinc/10/06/12/996100612.db2.gz WNEZNSZCCSGFNA-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCc1ccnn1C ZINC001507125315 1016003466 /nfs/dbraw/zinc/00/34/66/1016003466.db2.gz HPEQVHMAVRDVFA-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCc1ccnn1C ZINC001507125315 1016003477 /nfs/dbraw/zinc/00/34/77/1016003477.db2.gz HPEQVHMAVRDVFA-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001507130392 1016013156 /nfs/dbraw/zinc/01/31/56/1016013156.db2.gz OJWFVKCOWFNXMX-GFCCVEGCSA-N 1 3 322.457 0.782 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001397928846 996262226 /nfs/dbraw/zinc/26/22/26/996262226.db2.gz VLQLKFCQHFPDCJ-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001397928846 996262232 /nfs/dbraw/zinc/26/22/32/996262232.db2.gz VLQLKFCQHFPDCJ-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001397938237 996267162 /nfs/dbraw/zinc/26/71/62/996267162.db2.gz HPTQVGNZIFFCSA-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001397938237 996267168 /nfs/dbraw/zinc/26/71/68/996267168.db2.gz HPTQVGNZIFFCSA-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO Cn1cc(CCN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001398334091 996474846 /nfs/dbraw/zinc/47/48/46/996474846.db2.gz ROVADIMJRAGZRR-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001398621978 996609150 /nfs/dbraw/zinc/60/91/50/996609150.db2.gz NMYIYETWISJMSJ-GASCZTMLSA-N 1 3 319.453 0.950 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001398624484 996610668 /nfs/dbraw/zinc/61/06/68/996610668.db2.gz MVDSDVIQSKZWER-ZDUSSCGKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001398624484 996610670 /nfs/dbraw/zinc/61/06/70/996610670.db2.gz MVDSDVIQSKZWER-ZDUSSCGKSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001398750816 996671439 /nfs/dbraw/zinc/67/14/39/996671439.db2.gz CWLNZUGAPDNJAG-UKRRQHHQSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001398750816 996671443 /nfs/dbraw/zinc/67/14/43/996671443.db2.gz CWLNZUGAPDNJAG-UKRRQHHQSA-N 1 3 324.469 0.241 20 0 DCADHO CN1CC[C@H](NC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001398758763 996675054 /nfs/dbraw/zinc/67/50/54/996675054.db2.gz ITOPPTHBSMOBES-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001398762886 996677257 /nfs/dbraw/zinc/67/72/57/996677257.db2.gz KOYWMPOCZXVLGP-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001398923816 996751748 /nfs/dbraw/zinc/75/17/48/996751748.db2.gz PUWBHAGGHIHBQR-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC001398923816 996751752 /nfs/dbraw/zinc/75/17/52/996751752.db2.gz PUWBHAGGHIHBQR-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CN(CC)CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001398979426 996792073 /nfs/dbraw/zinc/79/20/73/996792073.db2.gz VRTUIJLQIARXAU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)CN(CC)CC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001398979426 996792080 /nfs/dbraw/zinc/79/20/80/996792080.db2.gz VRTUIJLQIARXAU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N[C@@H]1CCNC1=O ZINC001399030063 996857620 /nfs/dbraw/zinc/85/76/20/996857620.db2.gz QASFOHPXDZUJIO-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N[C@@H]1CCNC1=O ZINC001399030063 996857630 /nfs/dbraw/zinc/85/76/30/996857630.db2.gz QASFOHPXDZUJIO-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001399186738 997070657 /nfs/dbraw/zinc/07/06/57/997070657.db2.gz RVFCDNURHBGPKJ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001399186738 997070671 /nfs/dbraw/zinc/07/06/71/997070671.db2.gz RVFCDNURHBGPKJ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399189421 997071854 /nfs/dbraw/zinc/07/18/54/997071854.db2.gz RZUKVKSPVUKFOF-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNCCF)CC1 ZINC001502869182 1016110649 /nfs/dbraw/zinc/11/06/49/1016110649.db2.gz GRUAQUBNYHVSIC-CQSZACIVSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(CNCCF)CC1 ZINC001502869182 1016110653 /nfs/dbraw/zinc/11/06/53/1016110653.db2.gz GRUAQUBNYHVSIC-CQSZACIVSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001399427862 997357241 /nfs/dbraw/zinc/35/72/41/997357241.db2.gz CMTUXBUUFSFPNH-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)NCc1ccc2c(c1)COC2 ZINC001507233815 1016158451 /nfs/dbraw/zinc/15/84/51/1016158451.db2.gz XFSOKGRTVXUPLP-MRXNPFEDSA-N 1 3 321.421 0.235 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001405311236 998096671 /nfs/dbraw/zinc/09/66/71/998096671.db2.gz VKEOTVKTWBNBLZ-ZIAGYGMSSA-N 1 3 308.430 0.104 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001507251518 1016184773 /nfs/dbraw/zinc/18/47/73/1016184773.db2.gz DNCSWVOQDAUDKI-NVXWUHKLSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507251518 1016184777 /nfs/dbraw/zinc/18/47/77/1016184777.db2.gz DNCSWVOQDAUDKI-NVXWUHKLSA-N 1 3 319.449 0.904 20 0 DCADHO CNC(=O)C[NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001405433957 998224780 /nfs/dbraw/zinc/22/47/80/998224780.db2.gz JDHVMAXTANAOKT-MRXNPFEDSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)c1nc(CNC[C@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001405595849 998369847 /nfs/dbraw/zinc/36/98/47/998369847.db2.gz JVPLMUCUMUDDQQ-CYBMUJFWSA-N 1 3 322.457 0.960 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC ZINC001405595602 998371650 /nfs/dbraw/zinc/37/16/50/998371650.db2.gz UBTBCYGSULMRBE-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC ZINC001405595602 998371656 /nfs/dbraw/zinc/37/16/56/998371656.db2.gz UBTBCYGSULMRBE-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1)C1CCC1 ZINC001405599831 998377471 /nfs/dbraw/zinc/37/74/71/998377471.db2.gz TVDIPNSKDJXLJW-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001405717617 998497742 /nfs/dbraw/zinc/49/77/42/998497742.db2.gz LUOBMDZCZOGUMW-CYBMUJFWSA-N 1 3 307.442 0.967 20 0 DCADHO Cc1nnc([C@H](C)NC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001405725275 998501799 /nfs/dbraw/zinc/50/17/99/998501799.db2.gz DCULLEQIVRWIJS-RYUDHWBXSA-N 1 3 320.441 0.612 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@@H]1C ZINC001507293507 1016225267 /nfs/dbraw/zinc/22/52/67/1016225267.db2.gz NQNHSOSNGMKSSD-WCQYABFASA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)[C@@H]1C ZINC001507293507 1016225274 /nfs/dbraw/zinc/22/52/74/1016225274.db2.gz NQNHSOSNGMKSSD-WCQYABFASA-N 1 3 308.430 0.534 20 0 DCADHO CN(CCN1CCCC1=O)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001505444758 1016247563 /nfs/dbraw/zinc/24/75/63/1016247563.db2.gz HHRPCRBFSFHTJC-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCO)[C@@H]2C1 ZINC001507370582 1016286446 /nfs/dbraw/zinc/28/64/46/1016286446.db2.gz ZMXUXWZGJZWNFZ-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@@H](N[C@H]2CCCNC2=O)C(C)(C)C1 ZINC001507441835 1016332003 /nfs/dbraw/zinc/33/20/03/1016332003.db2.gz DGAARMDUQNGYPQ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001507446924 1016334056 /nfs/dbraw/zinc/33/40/56/1016334056.db2.gz FYLSFIBHPXKQTB-TZMCWYRMSA-N 1 3 308.426 0.940 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505632587 1016378357 /nfs/dbraw/zinc/37/83/57/1016378357.db2.gz MEXUAXHTZUBSHZ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNCc1cn(C)nn1 ZINC001401117544 1000205427 /nfs/dbraw/zinc/20/54/27/1000205427.db2.gz IHGOJRLIGWYRJJ-HIFRSBDPSA-N 1 3 322.457 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNCc1cn(C)nn1 ZINC001401117544 1000205429 /nfs/dbraw/zinc/20/54/29/1000205429.db2.gz IHGOJRLIGWYRJJ-HIFRSBDPSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C(=O)CN1CCCC1 ZINC001401254652 1000311896 /nfs/dbraw/zinc/31/18/96/1000311896.db2.gz FRSIGIVWKQBMTP-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N[C@@H](C)C1CC1)N(C)C(=O)CN1CCCC1 ZINC001401260754 1000317475 /nfs/dbraw/zinc/31/74/75/1000317475.db2.gz OEIYOAGFJUSKHE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001401604586 1000540323 /nfs/dbraw/zinc/54/03/23/1000540323.db2.gz VRZNQQLEYBGPKU-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401605706 1000542167 /nfs/dbraw/zinc/54/21/67/1000542167.db2.gz TWBGIEHOMGVDTG-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401605706 1000542171 /nfs/dbraw/zinc/54/21/71/1000542171.db2.gz TWBGIEHOMGVDTG-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCC[C@H](N2[C@@H]3CC[C@H]2CN(C(=O)CC[NH+](C)C)C3)C1=O ZINC001418863991 1000576928 /nfs/dbraw/zinc/57/69/28/1000576928.db2.gz DMJRCLOTWDBVRP-ZNMIVQPWSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N1CCCC1)[NH+](C)C ZINC001401658772 1000598230 /nfs/dbraw/zinc/59/82/30/1000598230.db2.gz GJASLYKKWYBPSG-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001418948353 1000639397 /nfs/dbraw/zinc/63/93/97/1000639397.db2.gz ZLFFTPDDUYHGDF-CYBMUJFWSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401700556 1000639537 /nfs/dbraw/zinc/63/95/37/1000639537.db2.gz HKTMWSYKINLIGE-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001401703192 1000641053 /nfs/dbraw/zinc/64/10/53/1000641053.db2.gz HGUZKZGSLPORJE-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001401718013 1000655683 /nfs/dbraw/zinc/65/56/83/1000655683.db2.gz NGTZHOANUBSMAL-AAEUAGOBSA-N 1 3 321.425 0.271 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC001419063277 1000737995 /nfs/dbraw/zinc/73/79/95/1000737995.db2.gz ZSLYMDWZFSJYAQ-IRXDYDNUSA-N 1 3 319.449 0.732 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cnn(C)n1 ZINC001401858574 1000794476 /nfs/dbraw/zinc/79/44/76/1000794476.db2.gz BCIUYGDYBLWDTP-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001419290054 1000950693 /nfs/dbraw/zinc/95/06/93/1000950693.db2.gz TYUCYTZVYAFIPX-HNNXBMFYSA-N 1 3 319.453 0.746 20 0 DCADHO C[NH+]1CCC(OCC(=O)NC[C@@H](NCCF)C2CC2)CC1 ZINC001419301265 1000959197 /nfs/dbraw/zinc/95/91/97/1000959197.db2.gz SATDYALFLBPTOG-CQSZACIVSA-N 1 3 301.406 0.551 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001419367079 1001003982 /nfs/dbraw/zinc/00/39/82/1001003982.db2.gz MQQAUFALZMHPEV-BFHYXJOUSA-N 1 3 310.442 0.315 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419369775 1001005787 /nfs/dbraw/zinc/00/57/87/1001005787.db2.gz APIFCLLLKNEAOF-OLZOCXBDSA-N 1 3 321.425 0.305 20 0 DCADHO Cn1cc(CCN2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cn1 ZINC001402139329 1001051883 /nfs/dbraw/zinc/05/18/83/1001051883.db2.gz KUFMLHDKBAAEFT-INIZCTEOSA-N 1 3 307.442 0.495 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001419604121 1001167629 /nfs/dbraw/zinc/16/76/29/1001167629.db2.gz BNZLQWSLDJYGJI-ZDUSSCGKSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001419709797 1001240019 /nfs/dbraw/zinc/24/00/19/1001240019.db2.gz XICDOEUPTMOEQZ-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001419756668 1001283510 /nfs/dbraw/zinc/28/35/10/1001283510.db2.gz CXRPMBXBGKBECO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]([NH2+]CCn1cccn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402421064 1001291480 /nfs/dbraw/zinc/29/14/80/1001291480.db2.gz YEIARQFFCTUUGR-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001402445347 1001314932 /nfs/dbraw/zinc/31/49/32/1001314932.db2.gz NDWAHPPAFJDAAY-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001419853979 1001358515 /nfs/dbraw/zinc/35/85/15/1001358515.db2.gz REXVNRFBNCBVDG-UONOGXRCSA-N 1 3 307.442 0.399 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001419853977 1001358632 /nfs/dbraw/zinc/35/86/32/1001358632.db2.gz REXVNRFBNCBVDG-KGLIPLIRSA-N 1 3 307.442 0.399 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C(C)C ZINC001419878732 1001377822 /nfs/dbraw/zinc/37/78/22/1001377822.db2.gz DWOFCHUIYSYEAI-UONOGXRCSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C)C(N)=O ZINC001419880376 1001380335 /nfs/dbraw/zinc/38/03/35/1001380335.db2.gz SDWQWKZFSDAEHU-OLZOCXBDSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001402525447 1001383689 /nfs/dbraw/zinc/38/36/89/1001383689.db2.gz YBOJZXFUKUITHJ-OBJOEFQTSA-N 1 3 308.430 0.375 20 0 DCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)C(N)=O ZINC001402563118 1001410341 /nfs/dbraw/zinc/41/03/41/1001410341.db2.gz POOLFGMJTARUDW-JALIKCBVSA-N 1 3 324.469 0.704 20 0 DCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)C(N)=O ZINC001402563118 1001410343 /nfs/dbraw/zinc/41/03/43/1001410343.db2.gz POOLFGMJTARUDW-JALIKCBVSA-N 1 3 324.469 0.704 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001402581430 1001421357 /nfs/dbraw/zinc/42/13/57/1001421357.db2.gz ULFKBCLGJJHGPZ-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001402639116 1001455195 /nfs/dbraw/zinc/45/51/95/1001455195.db2.gz RGYRPZSOIHBZLL-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001402639116 1001455197 /nfs/dbraw/zinc/45/51/97/1001455197.db2.gz RGYRPZSOIHBZLL-KFWWJZLASA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001402639118 1001456045 /nfs/dbraw/zinc/45/60/45/1001456045.db2.gz RGYRPZSOIHBZLL-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001402639118 1001456049 /nfs/dbraw/zinc/45/60/49/1001456049.db2.gz RGYRPZSOIHBZLL-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001402723547 1001481556 /nfs/dbraw/zinc/48/15/56/1001481556.db2.gz STUAXUXIWYPBRI-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001402755388 1001490365 /nfs/dbraw/zinc/49/03/65/1001490365.db2.gz JXBFBONTWRMCNO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1)OC ZINC001402806060 1001509299 /nfs/dbraw/zinc/50/92/99/1001509299.db2.gz SBDVPOFNLNJOHQ-AWEZNQCLSA-N 1 3 324.425 0.320 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001402832000 1001522130 /nfs/dbraw/zinc/52/21/30/1001522130.db2.gz XJPBMDFSOGCPLQ-NRXISQOPSA-N 1 3 324.469 0.622 20 0 DCADHO CCn1nncc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001402834218 1001523523 /nfs/dbraw/zinc/52/35/23/1001523523.db2.gz DAWARALGAXMCSM-GXTWGEPZSA-N 1 3 308.430 0.377 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H]1CCCN(C)C1=O ZINC001402925328 1001582411 /nfs/dbraw/zinc/58/24/11/1001582411.db2.gz GZAZXVXCNWLPMO-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001420003932 1001758122 /nfs/dbraw/zinc/75/81/22/1001758122.db2.gz FEFDPNRERMOKCD-UHFFFAOYSA-N 1 3 321.469 0.695 20 0 DCADHO CN(CCNC(=O)C1CC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403328102 1001822111 /nfs/dbraw/zinc/82/21/11/1001822111.db2.gz KQMJPRXKBUFGJP-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCn1ccc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001403469786 1001997360 /nfs/dbraw/zinc/99/73/60/1001997360.db2.gz QBSFYEWKFBUAER-ZIAGYGMSSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001403469786 1001997370 /nfs/dbraw/zinc/99/73/70/1001997370.db2.gz QBSFYEWKFBUAER-ZIAGYGMSSA-N 1 3 307.442 0.839 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CCn2cncn2)CC1 ZINC001403470766 1002003010 /nfs/dbraw/zinc/00/30/10/1002003010.db2.gz ZFPORHXXKPZSML-UHFFFAOYSA-N 1 3 322.457 0.541 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC001403470766 1002003022 /nfs/dbraw/zinc/00/30/22/1002003022.db2.gz ZFPORHXXKPZSML-UHFFFAOYSA-N 1 3 322.457 0.541 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccsc1)N(C)C ZINC001420199767 1002024920 /nfs/dbraw/zinc/02/49/20/1002024920.db2.gz GAOGNUVGSPCCLS-UONOGXRCSA-N 1 3 313.467 0.901 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001420239077 1002098461 /nfs/dbraw/zinc/09/84/61/1002098461.db2.gz KUIIVLDWDQWDJA-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001403571556 1002158342 /nfs/dbraw/zinc/15/83/42/1002158342.db2.gz RFBVKLWYFJRENI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001403571556 1002158348 /nfs/dbraw/zinc/15/83/48/1002158348.db2.gz RFBVKLWYFJRENI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCc1cncn1C ZINC001403620623 1002221612 /nfs/dbraw/zinc/22/16/12/1002221612.db2.gz WHGOGHHRUIVVGS-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001403631288 1002236068 /nfs/dbraw/zinc/23/60/68/1002236068.db2.gz OQJLDYXSHAHNAO-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001403631288 1002236078 /nfs/dbraw/zinc/23/60/78/1002236078.db2.gz OQJLDYXSHAHNAO-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420371633 1002294890 /nfs/dbraw/zinc/29/48/90/1002294890.db2.gz NMAIFQGGMBQLKM-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420371633 1002294893 /nfs/dbraw/zinc/29/48/93/1002294893.db2.gz NMAIFQGGMBQLKM-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016062 1016610616 /nfs/dbraw/zinc/61/06/16/1016610616.db2.gz LGWQZXNIKRLRBX-CYBMUJFWSA-N 1 3 310.446 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]2CNC(=O)CCC[NH+](C)C)C1 ZINC001505851607 1016612840 /nfs/dbraw/zinc/61/28/40/1016612840.db2.gz VPROIWQQEKQNDK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420418095 1002386292 /nfs/dbraw/zinc/38/62/92/1002386292.db2.gz BYSLUBQODQRLPU-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420418095 1002386304 /nfs/dbraw/zinc/38/63/04/1002386304.db2.gz BYSLUBQODQRLPU-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1C(=O)CN1CCCC1 ZINC001505850808 1016613927 /nfs/dbraw/zinc/61/39/27/1016613927.db2.gz FGEVKXVJKSTCLN-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001425159651 1002407788 /nfs/dbraw/zinc/40/77/88/1002407788.db2.gz IKWFLMGGRGTVBU-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001508038388 1016618109 /nfs/dbraw/zinc/61/81/09/1016618109.db2.gz QPGURZWWPSVGAL-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCc1ccnn1C ZINC001420448510 1002434603 /nfs/dbraw/zinc/43/46/03/1002434603.db2.gz NWZFLLOLNMLEOO-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCc1ccnn1C ZINC001420448510 1002434609 /nfs/dbraw/zinc/43/46/09/1002434609.db2.gz NWZFLLOLNMLEOO-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001420457160 1002446173 /nfs/dbraw/zinc/44/61/73/1002446173.db2.gz HZWZZIZMUQJOLZ-LBPRGKRZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001403737929 1002446523 /nfs/dbraw/zinc/44/65/23/1002446523.db2.gz YIRRRKSZSVYFKX-DLBZAZTESA-N 1 3 319.449 0.904 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001403737929 1002446536 /nfs/dbraw/zinc/44/65/36/1002446536.db2.gz YIRRRKSZSVYFKX-DLBZAZTESA-N 1 3 319.449 0.904 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)N2CCC2)C1 ZINC001420463084 1002456063 /nfs/dbraw/zinc/45/60/63/1002456063.db2.gz JDZCJEJJEDTSFC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)N2CCC2)C1 ZINC001420463084 1002456067 /nfs/dbraw/zinc/45/60/67/1002456067.db2.gz JDZCJEJJEDTSFC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C[C@@H]1C ZINC001403754842 1002473648 /nfs/dbraw/zinc/47/36/48/1002473648.db2.gz PXSAUIZFWKCLOB-GJZGRUSLSA-N 1 3 307.442 0.804 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCn2cccn2)C[C@@H]1C ZINC001403754864 1002474678 /nfs/dbraw/zinc/47/46/78/1002474678.db2.gz PXSAUIZFWKCLOB-LSDHHAIUSA-N 1 3 307.442 0.804 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1=O ZINC001403840399 1002609097 /nfs/dbraw/zinc/60/90/97/1002609097.db2.gz ZAVCLTVMYJGRGL-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C ZINC001403943898 1002778410 /nfs/dbraw/zinc/77/84/10/1002778410.db2.gz DZGKYEWYDLVGCG-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001425580180 1002846199 /nfs/dbraw/zinc/84/61/99/1002846199.db2.gz JNIFOXDYIJEUNJ-YPMHNXCESA-N 1 3 307.398 0.010 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001425597378 1002872699 /nfs/dbraw/zinc/87/26/99/1002872699.db2.gz DROODGXHRQLTNI-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001425621873 1002903146 /nfs/dbraw/zinc/90/31/46/1002903146.db2.gz CGGJKNPPLLUXFX-STQMWFEESA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001405819730 1003107973 /nfs/dbraw/zinc/10/79/73/1003107973.db2.gz BSMXBLQZOSLYFZ-OLZOCXBDSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001405819293 1003108405 /nfs/dbraw/zinc/10/84/05/1003108405.db2.gz VCBMKLYIPGWKJD-STQMWFEESA-N 1 3 312.458 0.561 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001425793000 1003116477 /nfs/dbraw/zinc/11/64/77/1003116477.db2.gz GKQVKGURHOKZKC-MRXNPFEDSA-N 1 3 319.449 0.904 20 0 DCADHO CCN1CCN(CCN(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001420907970 1003117655 /nfs/dbraw/zinc/11/76/55/1003117655.db2.gz TYIBSKZXAODKTM-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CCc1cccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001425839753 1003170099 /nfs/dbraw/zinc/17/00/99/1003170099.db2.gz NINWZURYIAZPKW-DLBZAZTESA-N 1 3 319.449 0.767 20 0 DCADHO CCc1cccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001425839753 1003170104 /nfs/dbraw/zinc/17/01/04/1003170104.db2.gz NINWZURYIAZPKW-DLBZAZTESA-N 1 3 319.449 0.767 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001506328902 1017217667 /nfs/dbraw/zinc/21/76/67/1017217667.db2.gz ACMLCGCAIYKWAX-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001420991347 1003213022 /nfs/dbraw/zinc/21/30/22/1003213022.db2.gz CPGICKYLJGLKHL-GDBMZVCRSA-N 1 3 309.454 0.993 20 0 DCADHO C[C@@H]1[C@H](NCc2cncn2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001425891380 1003230589 /nfs/dbraw/zinc/23/05/89/1003230589.db2.gz XRGTZSASSFECHP-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CN(C)C1CCC1 ZINC001425902393 1003239427 /nfs/dbraw/zinc/23/94/27/1003239427.db2.gz UMERQCWMYLYPPR-GXTWGEPZSA-N 1 3 322.453 0.328 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)n1 ZINC001406227092 1003498962 /nfs/dbraw/zinc/49/89/62/1003498962.db2.gz YRIRVBXFPSYADG-DZGCQCFKSA-N 1 3 307.442 0.746 20 0 DCADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C\Cl ZINC001406257546 1003536159 /nfs/dbraw/zinc/53/61/59/1003536159.db2.gz QVZNKGLJTZSKPC-RZZPXTMHSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C\Cl ZINC001406257546 1003536165 /nfs/dbraw/zinc/53/61/65/1003536165.db2.gz QVZNKGLJTZSKPC-RZZPXTMHSA-N 1 3 324.252 0.856 20 0 DCADHO Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C)c(C)n1 ZINC001406305785 1003589367 /nfs/dbraw/zinc/58/93/67/1003589367.db2.gz OQSWRWJYAYBRNN-INIZCTEOSA-N 1 3 322.453 0.605 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001428606493 1004054339 /nfs/dbraw/zinc/05/43/39/1004054339.db2.gz PUZBSWSLXCAQKQ-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001406769831 1004077096 /nfs/dbraw/zinc/07/70/96/1004077096.db2.gz FLRPIOBYRZSQSW-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001406769831 1004077101 /nfs/dbraw/zinc/07/71/01/1004077101.db2.gz FLRPIOBYRZSQSW-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)cn1 ZINC001406790213 1004097070 /nfs/dbraw/zinc/09/70/70/1004097070.db2.gz UHMDWVCAQUFRKO-HNNXBMFYSA-N 1 3 317.437 0.500 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001426864701 1004097246 /nfs/dbraw/zinc/09/72/46/1004097246.db2.gz FHOWTOKTISTKII-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001426864701 1004097250 /nfs/dbraw/zinc/09/72/50/1004097250.db2.gz FHOWTOKTISTKII-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001406797160 1004105034 /nfs/dbraw/zinc/10/50/34/1004105034.db2.gz QBPJTLDMOADCJP-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC(=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001428883258 1004239790 /nfs/dbraw/zinc/23/97/90/1004239790.db2.gz UTSCFTODQGIKEK-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001407094380 1004373062 /nfs/dbraw/zinc/37/30/62/1004373062.db2.gz PIHBFWIMJHSQOL-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001407094380 1004373070 /nfs/dbraw/zinc/37/30/70/1004373070.db2.gz PIHBFWIMJHSQOL-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001407114434 1004396250 /nfs/dbraw/zinc/39/62/50/1004396250.db2.gz XFEFJOXWSNKXEQ-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001407201853 1004466830 /nfs/dbraw/zinc/46/68/30/1004466830.db2.gz WPPYKBHQHUDRIO-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407201853 1004466835 /nfs/dbraw/zinc/46/68/35/1004466835.db2.gz WPPYKBHQHUDRIO-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)CN1CCCC1 ZINC001429309395 1004522548 /nfs/dbraw/zinc/52/25/48/1004522548.db2.gz YTZPXPLBDKCBBV-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)CCC[NH+](C)C)C1 ZINC001429458560 1004610817 /nfs/dbraw/zinc/61/08/17/1004610817.db2.gz WCXBRURZAZRVMK-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001429514743 1004642205 /nfs/dbraw/zinc/64/22/05/1004642205.db2.gz CFQNJYVBSSTRLD-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1cnns1 ZINC001407534992 1004716650 /nfs/dbraw/zinc/71/66/50/1004716650.db2.gz IWVNTDCHJKZOQF-RYUDHWBXSA-N 1 3 311.455 0.674 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)[C@@H](C)C1 ZINC001408097832 1005038982 /nfs/dbraw/zinc/03/89/82/1005038982.db2.gz KMFWULWPDDBXAN-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001414503608 1005347501 /nfs/dbraw/zinc/34/75/01/1005347501.db2.gz KPQBVMHHNOELKD-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001414503608 1005347503 /nfs/dbraw/zinc/34/75/03/1005347503.db2.gz KPQBVMHHNOELKD-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001414790621 1005402858 /nfs/dbraw/zinc/40/28/58/1005402858.db2.gz DDMAPTNPWPVWMD-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001414790621 1005402860 /nfs/dbraw/zinc/40/28/60/1005402860.db2.gz DDMAPTNPWPVWMD-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001414790687 1005403108 /nfs/dbraw/zinc/40/31/08/1005403108.db2.gz GIOHUTYCZXPXER-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001415221081 1005484169 /nfs/dbraw/zinc/48/41/69/1005484169.db2.gz UGMMFMDNXNHDDW-JSGCOSHPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNC(=O)CN(C)C2CCC2)C1 ZINC001415523663 1005553975 /nfs/dbraw/zinc/55/39/75/1005553975.db2.gz KEBVTGCLQIKJRE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)CN(C)C2CCC2)C1 ZINC001415523663 1005553978 /nfs/dbraw/zinc/55/39/78/1005553978.db2.gz KEBVTGCLQIKJRE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001417787245 1005890917 /nfs/dbraw/zinc/89/09/17/1005890917.db2.gz RDWKREDSJAXIPV-JOCQHMNTSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001418004786 1005952764 /nfs/dbraw/zinc/95/27/64/1005952764.db2.gz JMKIBVLCJRNHCT-SWLSCSKDSA-N 1 3 306.410 0.782 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001418017241 1005957023 /nfs/dbraw/zinc/95/70/23/1005957023.db2.gz AYWYMHDDNRWZLK-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001418017241 1005957024 /nfs/dbraw/zinc/95/70/24/1005957024.db2.gz AYWYMHDDNRWZLK-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001418063429 1005994099 /nfs/dbraw/zinc/99/40/99/1005994099.db2.gz RSQQXFWPTJLHDV-HDJSIYSDSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438688086 1006029689 /nfs/dbraw/zinc/02/96/89/1006029689.db2.gz UKJJZRMLMDYLEK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001438688086 1006029703 /nfs/dbraw/zinc/02/97/03/1006029703.db2.gz UKJJZRMLMDYLEK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001438707979 1006057006 /nfs/dbraw/zinc/05/70/06/1006057006.db2.gz UNXLGIAENVXVBN-OLZOCXBDSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001438732332 1006080357 /nfs/dbraw/zinc/08/03/57/1006080357.db2.gz GBXOHPCETSAZSJ-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)C[C@@H](CN[C@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001438745558 1006090364 /nfs/dbraw/zinc/09/03/64/1006090364.db2.gz YBRTVVUGNNQHJD-OLZOCXBDSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001438806216 1006132249 /nfs/dbraw/zinc/13/22/49/1006132249.db2.gz PCJOEZRHBDUPQX-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CCc1nc([C@@H](C)N[C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001436388050 1006156173 /nfs/dbraw/zinc/15/61/73/1006156173.db2.gz AYVSPIIVVKFAFA-JHJVBQTASA-N 1 3 322.457 0.864 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001436402437 1006166151 /nfs/dbraw/zinc/16/61/51/1006166151.db2.gz DOGTUKOGSKJFEQ-UMVBOHGHSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H](NC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001418232131 1006212764 /nfs/dbraw/zinc/21/27/64/1006212764.db2.gz BZPCJYPFXXUBAD-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)N(C)C)C1 ZINC001438942710 1006254106 /nfs/dbraw/zinc/25/41/06/1006254106.db2.gz AHLJQKCDINHNJI-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)N(C)C)C1 ZINC001438942710 1006254109 /nfs/dbraw/zinc/25/41/09/1006254109.db2.gz AHLJQKCDINHNJI-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)CC)C1 ZINC001418350638 1006414598 /nfs/dbraw/zinc/41/45/98/1006414598.db2.gz SAMWACOQBSOESX-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001418361077 1006424292 /nfs/dbraw/zinc/42/42/92/1006424292.db2.gz RDBQDTVZHSIXMG-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001439063602 1006424967 /nfs/dbraw/zinc/42/49/67/1006424967.db2.gz FYCHGQGDOSNJAP-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1)C1CCC1 ZINC001436949489 1006477342 /nfs/dbraw/zinc/47/73/42/1006477342.db2.gz BAEGRLMPECHKRS-OKILXGFUSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001436966218 1006488327 /nfs/dbraw/zinc/48/83/27/1006488327.db2.gz NAMTXEIOLLIEAF-MELADBBJSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439122581 1006488676 /nfs/dbraw/zinc/48/86/76/1006488676.db2.gz QAAAXUGLSISCLW-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001439122581 1006488686 /nfs/dbraw/zinc/48/86/86/1006488686.db2.gz QAAAXUGLSISCLW-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(=O)N(C)C ZINC001437176578 1006676523 /nfs/dbraw/zinc/67/65/23/1006676523.db2.gz YCOBEJAIXPPHLO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCc1cn(C)nc1C(F)F ZINC001437198681 1006695822 /nfs/dbraw/zinc/69/58/22/1006695822.db2.gz IQNBLVJUMBOIJP-JTQLQIEISA-N 1 3 317.384 0.904 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCCCC1 ZINC001437244897 1006755862 /nfs/dbraw/zinc/75/58/62/1006755862.db2.gz IHVFKDHOGRBUTM-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001437258869 1006776065 /nfs/dbraw/zinc/77/60/65/1006776065.db2.gz CRIQBOUKGWGMGB-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001439466687 1006892946 /nfs/dbraw/zinc/89/29/46/1006892946.db2.gz ADEBWEZCLHLXNR-OAHLLOKOSA-N 1 3 319.453 0.746 20 0 DCADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)CCc1ccnn1C ZINC001437505413 1007063603 /nfs/dbraw/zinc/06/36/03/1007063603.db2.gz KMMYSHAHUQXZKJ-UHFFFAOYSA-N 1 3 307.442 0.352 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001452833271 1007101960 /nfs/dbraw/zinc/10/19/60/1007101960.db2.gz AFHOJXBUNXVMAK-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001452833271 1007101965 /nfs/dbraw/zinc/10/19/65/1007101965.db2.gz AFHOJXBUNXVMAK-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)CCC[NH+](C)C ZINC001452963301 1007174089 /nfs/dbraw/zinc/17/40/89/1007174089.db2.gz NJNMCSUTBVODAU-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437835251 1007448451 /nfs/dbraw/zinc/44/84/51/1007448451.db2.gz HETWOXSIZASIHG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437835251 1007448458 /nfs/dbraw/zinc/44/84/58/1007448458.db2.gz HETWOXSIZASIHG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001437856587 1007467043 /nfs/dbraw/zinc/46/70/43/1007467043.db2.gz LFWYTVPIPQVVOJ-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001440109568 1007495039 /nfs/dbraw/zinc/49/50/39/1007495039.db2.gz ADNHNTUSTMDMRO-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)CN1C[C@@H]2C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001440112631 1007497381 /nfs/dbraw/zinc/49/73/81/1007497381.db2.gz POVJAMJYAXIXMT-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O)[NH+](C)C ZINC001440133231 1007512171 /nfs/dbraw/zinc/51/21/71/1007512171.db2.gz OQZVAHXKRSMGGW-FQLMCAECSA-N 1 3 324.469 0.417 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001437953154 1007533431 /nfs/dbraw/zinc/53/34/31/1007533431.db2.gz QFFCCTZDZZDCBR-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001437953154 1007533442 /nfs/dbraw/zinc/53/34/42/1007533442.db2.gz QFFCCTZDZZDCBR-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN1CC[NH+](CC2CC2)CC1 ZINC001437969285 1007543505 /nfs/dbraw/zinc/54/35/05/1007543505.db2.gz ROBROZVUADZWPS-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437990109 1007565780 /nfs/dbraw/zinc/56/57/80/1007565780.db2.gz PHCRMTRJZMQGQT-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437990109 1007565790 /nfs/dbraw/zinc/56/57/90/1007565790.db2.gz PHCRMTRJZMQGQT-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](N[C@@H](C)C(N)=O)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001440223018 1007590129 /nfs/dbraw/zinc/59/01/29/1007590129.db2.gz NPRUNMBRTKENEJ-OLZOCXBDSA-N 1 3 320.437 0.779 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001440323476 1007672142 /nfs/dbraw/zinc/67/21/42/1007672142.db2.gz SDSQYMMQRUQYQI-GUTXKFCHSA-N 1 3 312.458 0.193 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)C1 ZINC001440353226 1007689519 /nfs/dbraw/zinc/68/95/19/1007689519.db2.gz FOAMQIHOXRLSQI-KLHDSHLOSA-N 1 3 309.454 0.849 20 0 DCADHO CCCCN1CCN([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001440386627 1007717003 /nfs/dbraw/zinc/71/70/03/1007717003.db2.gz AYCUIHFCNNBOHZ-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCN1CC[C@H](N2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001440401689 1007729586 /nfs/dbraw/zinc/72/95/86/1007729586.db2.gz YNVYREWWXLABOZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001438370555 1007866819 /nfs/dbraw/zinc/86/68/19/1007866819.db2.gz PZXMPKUIRRPBQH-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001438370555 1007866833 /nfs/dbraw/zinc/86/68/33/1007866833.db2.gz PZXMPKUIRRPBQH-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCC[C@@]1(CNCC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001438431912 1007902575 /nfs/dbraw/zinc/90/25/75/1007902575.db2.gz MFLYOEPQJUDXRQ-DYVFJYSZSA-N 1 3 324.469 0.468 20 0 DCADHO CC[N@@H+](CC(=O)NC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001440702452 1007966131 /nfs/dbraw/zinc/96/61/31/1007966131.db2.gz NONZWBPWEQYBGC-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](CC(=O)NC)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001440702452 1007966134 /nfs/dbraw/zinc/96/61/34/1007966134.db2.gz NONZWBPWEQYBGC-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nnsc1CNC[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438538952 1007982721 /nfs/dbraw/zinc/98/27/21/1007982721.db2.gz AJRAPQJFKSLLLN-CMPLNLGQSA-N 1 3 311.455 0.640 20 0 DCADHO Cc1nnsc1CNC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438538952 1007982731 /nfs/dbraw/zinc/98/27/31/1007982731.db2.gz AJRAPQJFKSLLLN-CMPLNLGQSA-N 1 3 311.455 0.640 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001440841744 1008058784 /nfs/dbraw/zinc/05/87/84/1008058784.db2.gz PUNYAWMZWUUGMH-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001441355101 1008330827 /nfs/dbraw/zinc/33/08/27/1008330827.db2.gz VLPUQARMMOPDCK-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001441383819 1008340916 /nfs/dbraw/zinc/34/09/16/1008340916.db2.gz DBZRJJDGYIGKKJ-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001441383235 1008341437 /nfs/dbraw/zinc/34/14/37/1008341437.db2.gz GSKYTUUXYQALKR-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N1CCC(N(C)CC(N)=O)CC1)[NH+](CC)CC ZINC001441382944 1008341458 /nfs/dbraw/zinc/34/14/58/1008341458.db2.gz CJSHRDTZVXAPJF-AWEZNQCLSA-N 1 3 312.458 0.515 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001441388816 1008343014 /nfs/dbraw/zinc/34/30/14/1008343014.db2.gz QKWCTJGMUMSBSI-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001441422259 1008351009 /nfs/dbraw/zinc/35/10/09/1008351009.db2.gz ZWSJZCIHZDJWBP-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001441528019 1008390963 /nfs/dbraw/zinc/39/09/63/1008390963.db2.gz WUSAVRQBQVHPBG-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001441528019 1008390966 /nfs/dbraw/zinc/39/09/66/1008390966.db2.gz WUSAVRQBQVHPBG-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN(CCn2cncn2)C1 ZINC001441596811 1008419204 /nfs/dbraw/zinc/41/92/04/1008419204.db2.gz YVVOMGHWPOTIHI-HNNXBMFYSA-N 1 3 322.457 0.448 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN(CCn2cncn2)C1 ZINC001441596811 1008419206 /nfs/dbraw/zinc/41/92/06/1008419206.db2.gz YVVOMGHWPOTIHI-HNNXBMFYSA-N 1 3 322.457 0.448 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)N(C)C ZINC001441597578 1008419709 /nfs/dbraw/zinc/41/97/09/1008419709.db2.gz SPSFBRVZLZUQHO-CHWSQXEVSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NCC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001441831708 1008533548 /nfs/dbraw/zinc/53/35/48/1008533548.db2.gz WDSJTQIPYSUKQH-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001441844190 1008561995 /nfs/dbraw/zinc/56/19/95/1008561995.db2.gz UQMRYXKKCGINCV-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001421428696 1008575877 /nfs/dbraw/zinc/57/58/77/1008575877.db2.gz SYOGYMLZTLAHLY-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccnn1C ZINC001421446063 1008600166 /nfs/dbraw/zinc/60/01/66/1008600166.db2.gz ALOZZKLCSCGMMH-LSDHHAIUSA-N 1 3 321.469 0.789 20 0 DCADHO CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001421445372 1008601765 /nfs/dbraw/zinc/60/17/65/1008601765.db2.gz YEMKDGMXEZHALB-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001421454782 1008610576 /nfs/dbraw/zinc/61/05/76/1008610576.db2.gz OUBBGUCLOGSHBE-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001421454782 1008610583 /nfs/dbraw/zinc/61/05/83/1008610583.db2.gz OUBBGUCLOGSHBE-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001441942336 1008681161 /nfs/dbraw/zinc/68/11/61/1008681161.db2.gz BVLXVKDKDMNNAA-QWHCGFSZSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001421545749 1008710385 /nfs/dbraw/zinc/71/03/85/1008710385.db2.gz BPQXEFJJCXTACT-CABCVRRESA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001421650035 1008872941 /nfs/dbraw/zinc/87/29/41/1008872941.db2.gz FYPCCPCANUBIGV-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001421770138 1009061147 /nfs/dbraw/zinc/06/11/47/1009061147.db2.gz RHOYIJIJUFETRK-OLZOCXBDSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC001421875804 1009194455 /nfs/dbraw/zinc/19/44/55/1009194455.db2.gz UZUNCYCINLPDSZ-ZFWWWQNUSA-N 1 3 320.437 0.416 20 0 DCADHO CN(CC(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C)C1CCC1 ZINC001433815675 1009210345 /nfs/dbraw/zinc/21/03/45/1009210345.db2.gz ZIZQLEKQRWWKNZ-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001421902943 1009239542 /nfs/dbraw/zinc/23/95/42/1009239542.db2.gz HCRWRDVNKGYEAH-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001421997479 1009382367 /nfs/dbraw/zinc/38/23/67/1009382367.db2.gz STRJVNPMUDHTOB-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nocc1CNCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001422000992 1009387226 /nfs/dbraw/zinc/38/72/26/1009387226.db2.gz NMTZQGVJDSWFDD-UHFFFAOYSA-N 1 3 324.425 0.690 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001422068031 1009453002 /nfs/dbraw/zinc/45/30/02/1009453002.db2.gz UESLGTDQXQRXJE-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)CNC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001422068818 1009453834 /nfs/dbraw/zinc/45/38/34/1009453834.db2.gz VDEFKIKUYQCLEX-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001434091752 1009551797 /nfs/dbraw/zinc/55/17/97/1009551797.db2.gz XCWKZKFXRUQXFC-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)CN1CC[C@@H](C)C1 ZINC001455677302 1009901262 /nfs/dbraw/zinc/90/12/62/1009901262.db2.gz PFEZJURDHGTDGX-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CC(C)(C)C[NH2+][C@@H]1CCNC1=O)C(=O)CN(C)C1CCC1 ZINC001422439715 1010088394 /nfs/dbraw/zinc/08/83/94/1010088394.db2.gz KQELBYUVDUVZNI-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CCO)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001443150951 1010175871 /nfs/dbraw/zinc/17/58/71/1010175871.db2.gz XBHPIXIUCVIHNC-HNNXBMFYSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422504404 1010198422 /nfs/dbraw/zinc/19/84/22/1010198422.db2.gz AOIAFZVXWMKVDI-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccnn1C)N(C)C ZINC001422516848 1010225505 /nfs/dbraw/zinc/22/55/05/1010225505.db2.gz COHWQGJPOCGPDF-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001422516848 1010225516 /nfs/dbraw/zinc/22/55/16/1010225516.db2.gz COHWQGJPOCGPDF-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001422548684 1010282041 /nfs/dbraw/zinc/28/20/41/1010282041.db2.gz GDHQDUHNDMAAOV-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](C[N@H+](C)CCO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422881987 1010697515 /nfs/dbraw/zinc/69/75/15/1010697515.db2.gz XRZMZZUDSRDUCF-WFASDCNBSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422881987 1010697524 /nfs/dbraw/zinc/69/75/24/1010697524.db2.gz XRZMZZUDSRDUCF-WFASDCNBSA-N 1 3 303.422 0.628 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001422914056 1010732244 /nfs/dbraw/zinc/73/22/44/1010732244.db2.gz ZJEQYHGXLURKGX-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001422914056 1010732251 /nfs/dbraw/zinc/73/22/51/1010732251.db2.gz ZJEQYHGXLURKGX-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001423090032 1010877308 /nfs/dbraw/zinc/87/73/08/1010877308.db2.gz XFUFNFAUUCDGLI-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001423321689 1011074867 /nfs/dbraw/zinc/07/48/67/1011074867.db2.gz CYXCFKVICUHUSJ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001423393695 1011120593 /nfs/dbraw/zinc/12/05/93/1011120593.db2.gz WCLDYEVBZAFJRG-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001423418189 1011136471 /nfs/dbraw/zinc/13/64/71/1011136471.db2.gz LPQVORUUKDJTQA-UONOGXRCSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C(=O)CN1CCCC1 ZINC001444733023 1011151704 /nfs/dbraw/zinc/15/17/04/1011151704.db2.gz SJBUKBNDPFVVAL-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001423611187 1011343344 /nfs/dbraw/zinc/34/33/44/1011343344.db2.gz WUTHCZHLKUIVEG-OLZOCXBDSA-N 1 3 312.458 0.465 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001445101518 1011405727 /nfs/dbraw/zinc/40/57/27/1011405727.db2.gz BUWHGORIZULDEZ-HIFRSBDPSA-N 1 3 322.457 0.531 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\CNC(=O)CC[NH+](C)C)CCC1 ZINC001533535804 1011437960 /nfs/dbraw/zinc/43/79/60/1011437960.db2.gz JINWQMKGVXGQAM-WAYWQWQTSA-N 1 3 310.442 0.211 20 0 DCADHO CC[C@@H](C(=O)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001533572374 1011450566 /nfs/dbraw/zinc/45/05/66/1011450566.db2.gz JKHAIMKVUWZCRZ-GXMNPTEKSA-N 1 3 322.453 0.211 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001423957004 1011774496 /nfs/dbraw/zinc/77/44/96/1011774496.db2.gz PAMZBOOWRCLCAQ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001445479575 1011808112 /nfs/dbraw/zinc/80/81/12/1011808112.db2.gz KUTYGVOXSPQJKN-PWSUYJOCSA-N 1 3 317.397 0.134 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCN1C(=O)CC[N@H+](C)CC)N(C)C ZINC001432067960 1011928332 /nfs/dbraw/zinc/92/83/32/1011928332.db2.gz VDYHVJDKQYJHJI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCN1C(=O)CC[N@@H+](C)CC)N(C)C ZINC001432067960 1011928337 /nfs/dbraw/zinc/92/83/37/1011928337.db2.gz VDYHVJDKQYJHJI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001445605573 1011992393 /nfs/dbraw/zinc/99/23/93/1011992393.db2.gz MEHZQIMTYZHPPS-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553497487 1012033853 /nfs/dbraw/zinc/03/38/53/1012033853.db2.gz SGLDSJOPTLXAML-HUUCEWRRSA-N 1 3 310.442 0.227 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553499786 1012037098 /nfs/dbraw/zinc/03/70/98/1012037098.db2.gz BXMRMAAEXQBVSV-QPSCCSFWSA-N 1 3 310.442 0.497 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001553505256 1012043173 /nfs/dbraw/zinc/04/31/73/1012043173.db2.gz SVLPAJDCLJTKEJ-CBBWQLFWSA-N 1 3 310.442 0.354 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553511263 1012054758 /nfs/dbraw/zinc/05/47/58/1012054758.db2.gz BQCQRMAKBFAJDL-KFWWJZLASA-N 1 3 310.442 0.369 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553513197 1012058822 /nfs/dbraw/zinc/05/88/22/1012058822.db2.gz GAWJGRQRNPFNOX-BYNSBNAKSA-N 1 3 310.442 0.368 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C[NH2+]1 ZINC001553515581 1012064458 /nfs/dbraw/zinc/06/44/58/1012064458.db2.gz NPEUFJSXFMTFDK-LXTVHRRPSA-N 1 3 310.442 0.368 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553546443 1012098489 /nfs/dbraw/zinc/09/84/89/1012098489.db2.gz FYHAPXHHDZLOCU-KGLIPLIRSA-N 1 3 310.442 0.620 20 0 DCADHO CC1([NH3+])CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001553546366 1012098879 /nfs/dbraw/zinc/09/88/79/1012098879.db2.gz GZLDHINVFCZKEF-GYMHETDLSA-N 1 3 324.469 0.887 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001424240225 1012220873 /nfs/dbraw/zinc/22/08/73/1012220873.db2.gz OYXXZZXJWJALGP-KBPBESRZSA-N 1 3 301.431 0.179 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC001424242685 1012224360 /nfs/dbraw/zinc/22/43/60/1012224360.db2.gz VBBUGRSQYNKZJO-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CCCN(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001536875005 1012260484 /nfs/dbraw/zinc/26/04/84/1012260484.db2.gz QETDGZVCXHDHHG-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001536875005 1012260502 /nfs/dbraw/zinc/26/05/02/1012260502.db2.gz QETDGZVCXHDHHG-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1cc(CNC[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001445889583 1012399595 /nfs/dbraw/zinc/39/95/95/1012399595.db2.gz DOCOMVUKIPOTBE-HIFRSBDPSA-N 1 3 322.457 0.531 20 0 DCADHO CC1CCN(CC(=O)N2CC(N(C)C(=O)CC[NH+](C)C)C2)CC1 ZINC001432449701 1012500837 /nfs/dbraw/zinc/50/08/37/1012500837.db2.gz ZQRYTQWULCPXJP-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@]1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)CCCCN1 ZINC001548586770 1012764624 /nfs/dbraw/zinc/76/46/24/1012764624.db2.gz UGAHHHWCJBRMMB-INIZCTEOSA-N 1 3 311.426 0.126 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001429840877 1012847465 /nfs/dbraw/zinc/84/74/65/1012847465.db2.gz OTGPPQZXRVQQTD-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001429840877 1012847487 /nfs/dbraw/zinc/84/74/87/1012847487.db2.gz OTGPPQZXRVQQTD-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)C1 ZINC001548643341 1012868064 /nfs/dbraw/zinc/86/80/64/1012868064.db2.gz SQQQKSMUENCMTH-LVQVYYBASA-N 1 3 309.454 0.944 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)C1 ZINC001548643341 1012868085 /nfs/dbraw/zinc/86/80/85/1012868085.db2.gz SQQQKSMUENCMTH-LVQVYYBASA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCC3CC3)C2)CCC1 ZINC001446760211 1012962484 /nfs/dbraw/zinc/96/24/84/1012962484.db2.gz OXVUYUWTQVIXIO-INIZCTEOSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CCC3CC3)C2)CCC1 ZINC001446760211 1012962492 /nfs/dbraw/zinc/96/24/92/1012962492.db2.gz OXVUYUWTQVIXIO-INIZCTEOSA-N 1 3 309.454 0.824 20 0 DCADHO CCN(C)[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC001475809290 1017160774 /nfs/dbraw/zinc/16/07/74/1017160774.db2.gz STQWUWNMIAXOIK-AWEZNQCLSA-N 1 3 303.472 0.828 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001479346885 1017512306 /nfs/dbraw/zinc/51/23/06/1017512306.db2.gz JAHWKBYAVPJYGF-GASCZTMLSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nn(C)cc1CN1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001506801106 1017564723 /nfs/dbraw/zinc/56/47/23/1017564723.db2.gz CYQCHEOQTDQFFY-PHZGNYQRSA-N 1 3 319.453 0.474 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001506886888 1017641755 /nfs/dbraw/zinc/64/17/55/1017641755.db2.gz UMLAFHUNZQRPLT-RBSFLKMASA-N 1 3 309.454 0.992 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001499602490 1017990844 /nfs/dbraw/zinc/99/08/44/1017990844.db2.gz JMSSNHACKBAROV-GDBMZVCRSA-N 1 3 315.433 0.583 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN2CCN(C(C)C)CC2)CC[N@@H+]1C ZINC001479929864 1017990935 /nfs/dbraw/zinc/99/09/35/1017990935.db2.gz AFFNEVDOZQDAST-JKSUJKDBSA-N 1 3 310.486 0.859 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN2CCN(C(C)C)CC2)CC[N@H+]1C ZINC001479929864 1017990941 /nfs/dbraw/zinc/99/09/41/1017990941.db2.gz AFFNEVDOZQDAST-JKSUJKDBSA-N 1 3 310.486 0.859 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001499602490 1017990851 /nfs/dbraw/zinc/99/08/51/1017990851.db2.gz JMSSNHACKBAROV-GDBMZVCRSA-N 1 3 315.433 0.583 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C[C@H]1C ZINC001499851804 1018104552 /nfs/dbraw/zinc/10/45/52/1018104552.db2.gz BIKUPZCSTDGPNZ-KGLIPLIRSA-N 1 3 322.457 0.626 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001480114601 1018214737 /nfs/dbraw/zinc/21/47/37/1018214737.db2.gz AGXHTOMNFHKISU-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001480115963 1018219922 /nfs/dbraw/zinc/21/99/22/1018219922.db2.gz WGZDOUVZXLQJAK-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1)N(C)C ZINC001480158062 1018265190 /nfs/dbraw/zinc/26/51/90/1018265190.db2.gz IBPQTDXBKUUUPY-ZDEQEGDKSA-N 1 3 319.396 0.988 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001495094605 1018306564 /nfs/dbraw/zinc/30/65/64/1018306564.db2.gz PSMWVKGTNBLGHJ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001495094605 1018306593 /nfs/dbraw/zinc/30/65/93/1018306593.db2.gz PSMWVKGTNBLGHJ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001497679445 1018330069 /nfs/dbraw/zinc/33/00/69/1018330069.db2.gz IFKWYNYNBWJBTB-WFVIONGDSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001497679445 1018330073 /nfs/dbraw/zinc/33/00/73/1018330073.db2.gz IFKWYNYNBWJBTB-WFVIONGDSA-N 1 3 322.453 0.211 20 0 DCADHO CNC(=O)CNCC1(NC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001495209733 1018395498 /nfs/dbraw/zinc/39/54/98/1018395498.db2.gz BJEHFCSPGUUWEG-UHFFFAOYSA-N 1 3 324.469 0.627 20 0 DCADHO Cn1ccc(CNC[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001500401038 1018440502 /nfs/dbraw/zinc/44/05/02/1018440502.db2.gz BTQHBFZOOICUGP-RHSMWYFYSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@@]2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001500401038 1018440510 /nfs/dbraw/zinc/44/05/10/1018440510.db2.gz BTQHBFZOOICUGP-RHSMWYFYSA-N 1 3 319.453 0.700 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001500404741 1018441125 /nfs/dbraw/zinc/44/11/25/1018441125.db2.gz IRMKHZAJIKGVCI-INIZCTEOSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497963589 1018547373 /nfs/dbraw/zinc/54/73/73/1018547373.db2.gz ZNEHUKONANNNPM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497963589 1018547380 /nfs/dbraw/zinc/54/73/80/1018547380.db2.gz ZNEHUKONANNNPM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001498042403 1018606252 /nfs/dbraw/zinc/60/62/52/1018606252.db2.gz OYQFSQYNLPLNDH-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001480537203 1018639015 /nfs/dbraw/zinc/63/90/15/1018639015.db2.gz MNQYOHHLPNXYCM-NHYWBVRUSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001480537203 1018639021 /nfs/dbraw/zinc/63/90/21/1018639021.db2.gz MNQYOHHLPNXYCM-NHYWBVRUSA-N 1 3 316.421 0.039 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001480576463 1018675809 /nfs/dbraw/zinc/67/58/09/1018675809.db2.gz GGQZCWCKRHLIIW-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@H](C)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480576123 1018676834 /nfs/dbraw/zinc/67/68/34/1018676834.db2.gz YTWMSJPBEKJAJG-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccn(C)n1 ZINC001495743192 1018678448 /nfs/dbraw/zinc/67/84/48/1018678448.db2.gz NDSAQBRTMUHJAP-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC1CC1 ZINC001498197310 1018745131 /nfs/dbraw/zinc/74/51/31/1018745131.db2.gz JOZFRXNRVHGYHB-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]([NH2+]CCn1cccn1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070201 1018858538 /nfs/dbraw/zinc/85/85/38/1018858538.db2.gz BSSOYYNNKMZAOC-KGLIPLIRSA-N 1 3 316.409 0.676 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC[C@@H](C)O)C[C@@H]2C1 ZINC001501240905 1018981598 /nfs/dbraw/zinc/98/15/98/1018981598.db2.gz ZVVRTFQNEOLJGB-OAGGEKHMSA-N 1 3 311.470 0.879 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@@H]2C1 ZINC001501240905 1018981607 /nfs/dbraw/zinc/98/16/07/1018981607.db2.gz ZVVRTFQNEOLJGB-OAGGEKHMSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498424022 1019106834 /nfs/dbraw/zinc/10/68/34/1019106834.db2.gz AFNIVRMXLPGVSI-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498424022 1019106840 /nfs/dbraw/zinc/10/68/40/1019106840.db2.gz AFNIVRMXLPGVSI-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001496194818 1019153795 /nfs/dbraw/zinc/15/37/95/1019153795.db2.gz KVNRVKMKJWGKEZ-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001498487687 1019163219 /nfs/dbraw/zinc/16/32/19/1019163219.db2.gz SBAKRTZFPXTLOA-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001496230587 1019180490 /nfs/dbraw/zinc/18/04/90/1019180490.db2.gz ZEJBDIBMAOCJQH-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001496230587 1019180500 /nfs/dbraw/zinc/18/05/00/1019180500.db2.gz ZEJBDIBMAOCJQH-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001501647055 1019350780 /nfs/dbraw/zinc/35/07/80/1019350780.db2.gz AWDDESYRUIVRDQ-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO Cn1cnnc1CNC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001501710293 1019406260 /nfs/dbraw/zinc/40/62/60/1019406260.db2.gz JEHTWPVWKYSGPB-HDJSIYSDSA-N 1 3 322.457 0.531 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001498773341 1019414705 /nfs/dbraw/zinc/41/47/05/1019414705.db2.gz IJDUJCHTJHICNZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001498773341 1019414710 /nfs/dbraw/zinc/41/47/10/1019414710.db2.gz IJDUJCHTJHICNZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001496587512 1019433740 /nfs/dbraw/zinc/43/37/40/1019433740.db2.gz ZVFOQNMMNHGJLN-CHWSQXEVSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001498878078 1019495379 /nfs/dbraw/zinc/49/53/79/1019495379.db2.gz YJPROTRDMQLILA-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001493582231 1019539104 /nfs/dbraw/zinc/53/91/04/1019539104.db2.gz ADUCDQWFNQVLBJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001493582231 1019539109 /nfs/dbraw/zinc/53/91/09/1019539109.db2.gz ADUCDQWFNQVLBJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001494171251 1020040620 /nfs/dbraw/zinc/04/06/20/1020040620.db2.gz HYMNWSVGEYYUEG-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001494171251 1020040633 /nfs/dbraw/zinc/04/06/33/1020040633.db2.gz HYMNWSVGEYYUEG-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272736798 210141655 /nfs/dbraw/zinc/14/16/55/210141655.db2.gz KBYXNSAPWZQWAK-BBRMVZONSA-N 1 3 305.422 0.997 20 0 DCADHO C[C@@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272736798 210141660 /nfs/dbraw/zinc/14/16/60/210141660.db2.gz KBYXNSAPWZQWAK-BBRMVZONSA-N 1 3 305.422 0.997 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000342708646 291046288 /nfs/dbraw/zinc/04/62/88/291046288.db2.gz NMDAMJBXXXITFO-ZIAGYGMSSA-N 1 3 311.426 0.601 20 0 DCADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332550089 235087601 /nfs/dbraw/zinc/08/76/01/235087601.db2.gz JBPFAYXBAYURPC-NRXISQOPSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1C ZINC000262252080 291069642 /nfs/dbraw/zinc/06/96/42/291069642.db2.gz LQDSPFYRHMMFEK-KBPBESRZSA-N 1 3 305.426 0.561 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)C[NH+]1CCCCC1 ZINC000420067762 295942765 /nfs/dbraw/zinc/94/27/65/295942765.db2.gz SZMXPLLTWRLWLD-JSGCOSHPSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+](CCNC(=O)c1[nH]nc2c1CNCC2)Cc1ccccc1 ZINC000188738734 200297311 /nfs/dbraw/zinc/29/73/11/200297311.db2.gz NBSARUFCKVAHGW-UHFFFAOYSA-N 1 3 313.405 0.917 20 0 DCADHO C[N@@H+](CCNC(=O)c1[nH]nc2c1CNCC2)Cc1ccccc1 ZINC000188738734 200297313 /nfs/dbraw/zinc/29/73/13/200297313.db2.gz NBSARUFCKVAHGW-UHFFFAOYSA-N 1 3 313.405 0.917 20 0 DCADHO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000154765780 291215705 /nfs/dbraw/zinc/21/57/05/291215705.db2.gz ZYIXBDSFTPZZDG-ZIAGYGMSSA-N 1 3 305.488 0.978 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000167404503 291248622 /nfs/dbraw/zinc/24/86/22/291248622.db2.gz RUCPOPMTIGJAQD-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[NH2+]CCc1ccccc1C(=O)NCCCN1CCN(C)CC1 ZINC000322880890 291258522 /nfs/dbraw/zinc/25/85/22/291258522.db2.gz YMWSETYFRZLUHS-UHFFFAOYSA-N 1 3 318.465 0.816 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000566209622 291282931 /nfs/dbraw/zinc/28/29/31/291282931.db2.gz YSGYJNSNIQFPBY-LSDHHAIUSA-N 1 3 309.454 0.977 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000566228077 291284441 /nfs/dbraw/zinc/28/44/41/291284441.db2.gz VFBRJQCDLPPNIF-STQMWFEESA-N 1 3 320.437 0.971 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000566233090 291285704 /nfs/dbraw/zinc/28/57/04/291285704.db2.gz GYSALRCVYJJEDT-BYCMXARLSA-N 1 3 316.829 0.948 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000566288675 291291326 /nfs/dbraw/zinc/29/13/26/291291326.db2.gz LFHXTBGFSWURFZ-UONOGXRCSA-N 1 3 320.441 0.444 20 0 DCADHO Cc1ccc([C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000417313855 239788751 /nfs/dbraw/zinc/78/87/51/239788751.db2.gz QFEXZWJDAHGJRN-HOTGVXAUSA-N 1 3 320.437 0.967 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000566667967 291317360 /nfs/dbraw/zinc/31/73/60/291317360.db2.gz BZCHYUFPRZETGF-DYEKYZERSA-N 1 3 300.472 0.802 20 0 DCADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422690764 240176517 /nfs/dbraw/zinc/17/65/17/240176517.db2.gz GVZAEGNQFOUDFK-CVEARBPZSA-N 1 3 318.469 0.706 20 0 DCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000422690764 240176521 /nfs/dbraw/zinc/17/65/21/240176521.db2.gz GVZAEGNQFOUDFK-CVEARBPZSA-N 1 3 318.469 0.706 20 0 DCADHO C[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)[C@@H]1C[NH3+] ZINC000430546116 240397377 /nfs/dbraw/zinc/39/73/77/240397377.db2.gz IXZADTNVKLOIIN-CZUORRHYSA-N 1 3 308.470 0.789 20 0 DCADHO N[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)C1 ZINC000567179886 291341925 /nfs/dbraw/zinc/34/19/25/291341925.db2.gz XQARNZRFMPOZJP-CVEARBPZSA-N 1 3 318.469 0.848 20 0 DCADHO CC[NH+](CC)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457404111 241001505 /nfs/dbraw/zinc/00/15/05/241001505.db2.gz LESCAGSALHXCKC-CQSZACIVSA-N 1 3 300.447 0.474 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000569226402 291467574 /nfs/dbraw/zinc/46/75/74/291467574.db2.gz SQKQFGBJDLQOKH-CXAGYDPISA-N 1 3 315.421 0.772 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@@H]2CC[NH3+])C1 ZINC000093698401 193292748 /nfs/dbraw/zinc/29/27/48/193292748.db2.gz IBCIOMUHZWDJPB-ZIAGYGMSSA-N 1 3 303.472 0.861 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C(=O)NCCN(C)C)CC1 ZINC000569986823 291507209 /nfs/dbraw/zinc/50/72/09/291507209.db2.gz IHEHGFJDBUXYLY-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO NC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000573605494 291643571 /nfs/dbraw/zinc/64/35/71/291643571.db2.gz BZMQICOSLMSANJ-HUUCEWRRSA-N 1 3 318.421 0.042 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339670483 253124605 /nfs/dbraw/zinc/12/46/05/253124605.db2.gz LIPXDSASNQPFKQ-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCOC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339659438 253122380 /nfs/dbraw/zinc/12/23/80/253122380.db2.gz RFLUXLRCCFYVIL-VFSICIBPSA-N 1 3 300.443 0.957 20 0 DCADHO CCOC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339659438 253122381 /nfs/dbraw/zinc/12/23/81/253122381.db2.gz RFLUXLRCCFYVIL-VFSICIBPSA-N 1 3 300.443 0.957 20 0 DCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@]1(C)CCCO1 ZINC000340472467 253259865 /nfs/dbraw/zinc/25/98/65/253259865.db2.gz BURZFCVJLRWXJA-DLBZAZTESA-N 1 3 313.486 0.924 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341205940 253357380 /nfs/dbraw/zinc/35/73/80/253357380.db2.gz RWYXPHQIVGYTFS-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341205940 253357382 /nfs/dbraw/zinc/35/73/82/253357382.db2.gz RWYXPHQIVGYTFS-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347027576 254123385 /nfs/dbraw/zinc/12/33/85/254123385.db2.gz IKSPVYYYSKSHOM-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347027576 254123386 /nfs/dbraw/zinc/12/33/86/254123386.db2.gz IKSPVYYYSKSHOM-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO Cn1cc(C(=O)NCC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000346862057 254104770 /nfs/dbraw/zinc/10/47/70/254104770.db2.gz WMSGOAPFHWFWNS-OAHLLOKOSA-N 1 3 319.453 0.862 20 0 DCADHO Cn1cc(C(=O)NCC2CC[NH+](C[C@@H]3CCCNC3)CC2)cn1 ZINC000346862057 254104772 /nfs/dbraw/zinc/10/47/72/254104772.db2.gz WMSGOAPFHWFWNS-OAHLLOKOSA-N 1 3 319.453 0.862 20 0 DCADHO CCc1nn(C)c(CC)c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347088512 254127879 /nfs/dbraw/zinc/12/78/79/254127879.db2.gz FFVVLYQNEJCXRH-CYBMUJFWSA-N 1 3 321.469 0.832 20 0 DCADHO CC[NH+](CC)[C@H](C)CNC(=O)NCC1CCN(CCO)CC1 ZINC000349666922 254292491 /nfs/dbraw/zinc/29/24/91/254292491.db2.gz LOBOTMTZUIYGHM-CQSZACIVSA-N 1 3 314.474 0.720 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCN(C)CCOC)C1 ZINC000105233482 285228616 /nfs/dbraw/zinc/22/86/16/285228616.db2.gz NNXBUTOFTXFPDG-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCN(C)CCOC)C1 ZINC000105233482 285228617 /nfs/dbraw/zinc/22/86/17/285228617.db2.gz NNXBUTOFTXFPDG-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(=O)N(C)C ZINC000345213257 285242977 /nfs/dbraw/zinc/24/29/77/285242977.db2.gz IGWPTIZEHONFIS-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(=O)N(C)C ZINC000345213257 285242978 /nfs/dbraw/zinc/24/29/78/285242978.db2.gz IGWPTIZEHONFIS-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO O=C(CC1(N2CCOCC2)CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195263695 395823197 /nfs/dbraw/zinc/82/31/97/395823197.db2.gz VXRMTPGWGLTPLD-GASCZTMLSA-N 1 3 307.438 0.699 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](O)C3)CC2)CC1 ZINC000051758379 395854376 /nfs/dbraw/zinc/85/43/76/395854376.db2.gz VHWKBCHNALPRCH-MRXNPFEDSA-N 1 3 324.469 0.711 20 0 DCADHO CCc1ccc([C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)N(C)C)cc1 ZINC000236960171 395899533 /nfs/dbraw/zinc/89/95/33/395899533.db2.gz IZWXRACUKWBERK-BZUAXINKSA-N 1 3 305.422 0.691 20 0 DCADHO C[C@H](CNC(=O)CCC1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000237390625 395911730 /nfs/dbraw/zinc/91/17/30/395911730.db2.gz STHPQCRZZFENIH-OAHLLOKOSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]C1 ZINC000237552258 395915009 /nfs/dbraw/zinc/91/50/09/395915009.db2.gz JZZZHYRFKCGJDQ-QGZVFWFLSA-N 1 3 322.453 0.143 20 0 DCADHO C[C@H](CC(=O)NCCCN1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000237621395 395916469 /nfs/dbraw/zinc/91/64/69/395916469.db2.gz WMSQSMCULIJWFS-CVEARBPZSA-N 1 3 310.486 0.766 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000120071905 395880777 /nfs/dbraw/zinc/88/07/77/395880777.db2.gz JCJHAUSKIYDDBC-WBVHZDCISA-N 1 3 322.453 0.901 20 0 DCADHO COCCN(C)CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276597853 396014175 /nfs/dbraw/zinc/01/41/75/396014175.db2.gz JURMTGWKRQEMNS-UHFFFAOYSA-N 1 3 305.422 0.683 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 ZINC000262015376 396090050 /nfs/dbraw/zinc/09/00/50/396090050.db2.gz WWFIKDSPEPMIGP-OAHLLOKOSA-N 1 3 303.406 0.908 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262089290 396098004 /nfs/dbraw/zinc/09/80/04/396098004.db2.gz CXSVXDGEQVKYDQ-UHFFFAOYSA-N 1 3 317.437 0.705 20 0 DCADHO CN(CCN1CCN(C(=O)C2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000262195747 396109388 /nfs/dbraw/zinc/10/93/88/396109388.db2.gz GQGLMLPJDIKJON-UHFFFAOYSA-N 1 3 316.449 0.482 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)N2CCCC2)cc1 ZINC000262319788 396123143 /nfs/dbraw/zinc/12/31/43/396123143.db2.gz CLQQVXQZFHCSQJ-ZACQAIPSSA-N 1 3 317.433 0.971 20 0 DCADHO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1 ZINC000262351875 396128485 /nfs/dbraw/zinc/12/84/85/396128485.db2.gz VGUCJGXCGYWVOZ-OAHLLOKOSA-N 1 3 307.394 0.944 20 0 DCADHO C[NH+](C)CCOc1cccc(NC(=O)C[C@@H]2CNCCO2)c1 ZINC000262375296 396131731 /nfs/dbraw/zinc/13/17/31/396131731.db2.gz YAMHNOXLSMQAMW-OAHLLOKOSA-N 1 3 307.394 0.944 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073611253 396147541 /nfs/dbraw/zinc/14/75/41/396147541.db2.gz UNOWQGKYCHOIKY-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073611253 396147543 /nfs/dbraw/zinc/14/75/43/396147543.db2.gz UNOWQGKYCHOIKY-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO [NH3+]CCCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000262658168 396169127 /nfs/dbraw/zinc/16/91/27/396169127.db2.gz DTZPCBQTFAGPRX-UHFFFAOYSA-N 1 3 305.422 0.998 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000262663156 396170262 /nfs/dbraw/zinc/17/02/62/396170262.db2.gz ZWKPNHUNHJDJSW-WBVHZDCISA-N 1 3 318.465 0.699 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CC3)cc2)C1 ZINC000262696097 396173372 /nfs/dbraw/zinc/17/33/72/396173372.db2.gz DRRQGAUXYQXVSF-CYBMUJFWSA-N 1 3 316.405 0.814 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CC3)cc2)C1 ZINC000262696097 396173378 /nfs/dbraw/zinc/17/33/78/396173378.db2.gz DRRQGAUXYQXVSF-CYBMUJFWSA-N 1 3 316.405 0.814 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000263116106 396202156 /nfs/dbraw/zinc/20/21/56/396202156.db2.gz FWAJLJOQDBLGLV-HNNXBMFYSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CC(N)=O)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000267229194 396355432 /nfs/dbraw/zinc/35/54/32/396355432.db2.gz KSCUQKTYHXYYMH-CYBMUJFWSA-N 1 3 305.422 0.997 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000269276431 396403099 /nfs/dbraw/zinc/40/30/99/396403099.db2.gz XCDBSGWVYUILPK-OAHLLOKOSA-N 1 3 305.422 0.895 20 0 DCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000269285368 396403762 /nfs/dbraw/zinc/40/37/62/396403762.db2.gz IAWWIUPDXYKIBC-HNNXBMFYSA-N 1 3 317.437 0.319 20 0 DCADHO Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[n-]c(=O)n1 ZINC000268948346 396378292 /nfs/dbraw/zinc/37/82/92/396378292.db2.gz ZYCCDLCWLNNJTJ-UHFFFAOYSA-N 1 3 323.441 0.836 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000580773534 396498195 /nfs/dbraw/zinc/49/81/95/396498195.db2.gz OINCZUVVDRHNED-ARFHVFGLSA-N 1 3 319.453 0.936 20 0 DCADHO CC1CC[NH+](CCCNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000372313977 396505803 /nfs/dbraw/zinc/50/58/03/396505803.db2.gz WHCVEJSGENCWKH-MRXNPFEDSA-N 1 3 308.470 0.615 20 0 DCADHO C[NH+](C)C1(CNC(=O)C2(N)Cc3ccccc3C2)CCOCC1 ZINC000372105537 396488809 /nfs/dbraw/zinc/48/88/09/396488809.db2.gz NDGXNBWVKIBJOT-UHFFFAOYSA-N 1 3 317.433 0.710 20 0 DCADHO CN1CCC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@H]1c1cccs1 ZINC000372891302 396552046 /nfs/dbraw/zinc/55/20/46/396552046.db2.gz MPYWOYRDRMYVRI-XPCVCDNBSA-N 1 3 323.462 0.970 20 0 DCADHO C[C@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000581428482 396553701 /nfs/dbraw/zinc/55/37/01/396553701.db2.gz JYGOQGLCZRTQMA-UKRRQHHQSA-N 1 3 306.414 0.433 20 0 DCADHO CS(=O)(=O)N1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000581552683 396564483 /nfs/dbraw/zinc/56/44/83/396564483.db2.gz JSSFGUDYRZDNKG-CQSZACIVSA-N 1 3 301.456 0.484 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000561999446 396650501 /nfs/dbraw/zinc/65/05/01/396650501.db2.gz NXHPZQHCFMLMBB-KFWWJZLASA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC[N@H+]1C ZINC000561999446 396650506 /nfs/dbraw/zinc/65/05/06/396650506.db2.gz NXHPZQHCFMLMBB-KFWWJZLASA-N 1 3 322.453 0.282 20 0 DCADHO COC(=O)CC1([NH2+]C[C@H](O)CN(C)C(C)C)CCOCC1 ZINC000595383550 396599891 /nfs/dbraw/zinc/59/98/91/396599891.db2.gz IYZRVIMOFZYJJU-ZDUSSCGKSA-N 1 3 302.415 0.389 20 0 DCADHO N[C@@H]1C[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000595902658 396679388 /nfs/dbraw/zinc/67/93/88/396679388.db2.gz DJAXDPJZFMKGRS-GOEBONIOSA-N 1 3 300.406 0.076 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1CC[NH2+]CC1 ZINC000562813159 396681117 /nfs/dbraw/zinc/68/11/17/396681117.db2.gz XKYREXGGACVTFC-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000562825849 396682594 /nfs/dbraw/zinc/68/25/94/396682594.db2.gz UAQFGEUQICSIIJ-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000588975331 396702137 /nfs/dbraw/zinc/70/21/37/396702137.db2.gz UGIQBZWZGQENHG-CQSZACIVSA-N 1 3 300.447 0.594 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000588975331 396702138 /nfs/dbraw/zinc/70/21/38/396702138.db2.gz UGIQBZWZGQENHG-CQSZACIVSA-N 1 3 300.447 0.594 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629531994 396777734 /nfs/dbraw/zinc/77/77/34/396777734.db2.gz HNFRQJDOFFXLGH-UONOGXRCSA-N 1 3 303.472 0.589 20 0 DCADHO C[C@@H](Cn1cc(Br)cn1)NC[C@@H](O)C[NH+](C)C ZINC000305131523 396737963 /nfs/dbraw/zinc/73/79/63/396737963.db2.gz NEFJUIWFTCIPIH-GXSJLCMTSA-N 1 3 305.220 0.546 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCN1C(=O)NC(C)(C)C1=O)C2 ZINC000375741497 396809972 /nfs/dbraw/zinc/80/99/72/396809972.db2.gz DQTGAMVOIWCBOX-FUNVUKJBSA-N 1 3 308.426 0.874 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCN1C(=O)NC(C)(C)C1=O)C2 ZINC000375741497 396809977 /nfs/dbraw/zinc/80/99/77/396809977.db2.gz DQTGAMVOIWCBOX-FUNVUKJBSA-N 1 3 308.426 0.874 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000332908857 396903642 /nfs/dbraw/zinc/90/36/42/396903642.db2.gz GCYYNHPYHBFUOS-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000332908857 396903647 /nfs/dbraw/zinc/90/36/47/396903647.db2.gz GCYYNHPYHBFUOS-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000569868544 396919737 /nfs/dbraw/zinc/91/97/37/396919737.db2.gz GQCRDYUPDYDRMG-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000600999740 396985954 /nfs/dbraw/zinc/98/59/54/396985954.db2.gz FXSVRJXCCJUPSN-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO COC(=O)c1cccc(CN(C)CCC[NH+]2CCN(C)CC2)n1 ZINC000572104058 397020786 /nfs/dbraw/zinc/02/07/86/397020786.db2.gz MTTHGZFQKHZOQM-UHFFFAOYSA-N 1 3 320.437 0.938 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)N(C)C1CC1 ZINC000340728695 396972491 /nfs/dbraw/zinc/97/24/91/396972491.db2.gz KMXRJMLTJRUEHQ-VXGBXAGGSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N(C)C1CC1 ZINC000340728695 396972499 /nfs/dbraw/zinc/97/24/99/396972499.db2.gz KMXRJMLTJRUEHQ-VXGBXAGGSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CCN(C)CC1)C[NH+]1CCCC1 ZINC000340802200 396973698 /nfs/dbraw/zinc/97/36/98/396973698.db2.gz SMCICRWEMYAAFG-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000630761516 397099265 /nfs/dbraw/zinc/09/92/65/397099265.db2.gz GFSSAVWLRSNFHR-LSDHHAIUSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000630761516 397099270 /nfs/dbraw/zinc/09/92/70/397099270.db2.gz GFSSAVWLRSNFHR-LSDHHAIUSA-N 1 3 305.426 0.801 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000573207259 397144423 /nfs/dbraw/zinc/14/44/23/397144423.db2.gz GSYSODDDIWLOJC-TWMKSMIVSA-N 1 3 309.454 0.678 20 0 DCADHO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCCN(CCCO)C1 ZINC000612983664 397171765 /nfs/dbraw/zinc/17/17/65/397171765.db2.gz QLEHZIBQRIIQKB-KGLIPLIRSA-N 1 3 310.442 0.275 20 0 DCADHO CN(C(=O)CCn1ccnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637467 397116408 /nfs/dbraw/zinc/11/64/08/397116408.db2.gz RSOAQGDYRKANOG-INIZCTEOSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)[C@H]2C1 ZINC000592564901 397216933 /nfs/dbraw/zinc/21/69/33/397216933.db2.gz SUAZJLBRGUMYBC-NFAWXSAZSA-N 1 3 317.437 0.885 20 0 DCADHO N[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@H]1c1cccc(F)c1 ZINC000574571392 397280929 /nfs/dbraw/zinc/28/09/29/397280929.db2.gz LAMULALMVOSYMC-JKSUJKDBSA-N 1 3 321.396 0.847 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC000592964920 397307707 /nfs/dbraw/zinc/30/77/07/397307707.db2.gz OPUDWTQCYXIGAZ-QXSJWSMHSA-N 1 3 306.454 0.364 20 0 DCADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)C1 ZINC000577607106 397344868 /nfs/dbraw/zinc/34/48/68/397344868.db2.gz NWSXYCUQRCABEJ-LJISPDSOSA-N 1 3 310.442 0.347 20 0 DCADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)C1 ZINC000577607106 397344870 /nfs/dbraw/zinc/34/48/70/397344870.db2.gz NWSXYCUQRCABEJ-LJISPDSOSA-N 1 3 310.442 0.347 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000577727660 397355201 /nfs/dbraw/zinc/35/52/01/397355201.db2.gz WOKHJFINUAUQPG-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419773015 397381333 /nfs/dbraw/zinc/38/13/33/397381333.db2.gz IGYITSDSMKGZQI-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000578323853 397420249 /nfs/dbraw/zinc/42/02/49/397420249.db2.gz ZAJSZEDIHHIWAO-KKUMJFAQSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CNC(=O)NCCOCC[NH+](C)C)N1CCC(C)CC1 ZINC000471646582 397449853 /nfs/dbraw/zinc/44/98/53/397449853.db2.gz MHQNFLFATMTMRB-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(N(C)C)n1C ZINC000425376144 397404732 /nfs/dbraw/zinc/40/47/32/397404732.db2.gz DVEVTFNEFQXTSD-UHFFFAOYSA-N 1 3 322.501 0.944 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604645919 397645944 /nfs/dbraw/zinc/64/59/44/397645944.db2.gz MUJXAEIVJPWCFR-HZPDHXFCSA-N 1 3 323.485 0.502 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604645919 397645948 /nfs/dbraw/zinc/64/59/48/397645948.db2.gz MUJXAEIVJPWCFR-HZPDHXFCSA-N 1 3 323.485 0.502 20 0 DCADHO CC(C)(CNC(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCCCC1 ZINC000579811993 397593164 /nfs/dbraw/zinc/59/31/64/397593164.db2.gz HCZYNSRFUFBNFZ-AWEZNQCLSA-N 1 3 312.458 0.929 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000579850293 397595660 /nfs/dbraw/zinc/59/56/60/397595660.db2.gz TUVCUXMYUBTQAM-LTIDMASMSA-N 1 3 313.486 0.588 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000579850293 397595662 /nfs/dbraw/zinc/59/56/62/397595662.db2.gz TUVCUXMYUBTQAM-LTIDMASMSA-N 1 3 313.486 0.588 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000605842311 397672491 /nfs/dbraw/zinc/67/24/91/397672491.db2.gz UQPAAYYAARGNRA-AWEZNQCLSA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000609201877 397763947 /nfs/dbraw/zinc/76/39/47/397763947.db2.gz ZJHKXAZHQUICQP-ZDUSSCGKSA-N 1 3 313.442 0.670 20 0 DCADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000609201877 397763949 /nfs/dbraw/zinc/76/39/49/397763949.db2.gz ZJHKXAZHQUICQP-ZDUSSCGKSA-N 1 3 313.442 0.670 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NCCN1CCCCC1 ZINC000078988007 158076726 /nfs/dbraw/zinc/07/67/26/158076726.db2.gz FAFWHVSMEYROGT-UHFFFAOYSA-N 1 3 300.447 0.740 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NCCN1CCCCC1 ZINC000078988007 158076729 /nfs/dbraw/zinc/07/67/29/158076729.db2.gz FAFWHVSMEYROGT-UHFFFAOYSA-N 1 3 300.447 0.740 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000120645883 158201886 /nfs/dbraw/zinc/20/18/86/158201886.db2.gz ZZISGDDQPBOWDZ-KRWDZBQOSA-N 1 3 322.453 0.860 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000126536219 158266454 /nfs/dbraw/zinc/26/64/54/158266454.db2.gz VIPHPQNBLSRNEN-OFQRWUPVSA-N 1 3 300.443 0.815 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000317084518 159003474 /nfs/dbraw/zinc/00/34/74/159003474.db2.gz OUJHZHVGLNOMGO-HIFRSBDPSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000317084518 159003475 /nfs/dbraw/zinc/00/34/75/159003475.db2.gz OUJHZHVGLNOMGO-HIFRSBDPSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000317459999 159005213 /nfs/dbraw/zinc/00/52/13/159005213.db2.gz XSCLWEBADAFZJT-HNNXBMFYSA-N 1 3 312.458 0.324 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1)C1CC1 ZINC000359274723 159260443 /nfs/dbraw/zinc/26/04/43/159260443.db2.gz FQQVNUFWMMGUEE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1)C1CC1 ZINC000359274723 159260445 /nfs/dbraw/zinc/26/04/45/159260445.db2.gz FQQVNUFWMMGUEE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000342112454 287153327 /nfs/dbraw/zinc/15/33/27/287153327.db2.gz WAOLJVLKCCJFCB-CWRNSKLLSA-N 1 3 308.470 0.646 20 0 DCADHO CC[C@H](C)N[C@H](CNC(=O)N(CC[NH3+])CCO)c1ccco1 ZINC000418171442 287239715 /nfs/dbraw/zinc/23/97/15/287239715.db2.gz UTHGPMVZAMSBRI-QWHCGFSZSA-N 1 3 312.414 0.671 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418347419 287245195 /nfs/dbraw/zinc/24/51/95/287245195.db2.gz DHGAIBXTLXFSPZ-AWEZNQCLSA-N 1 3 312.458 0.650 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418347420 287245222 /nfs/dbraw/zinc/24/52/22/287245222.db2.gz DHGAIBXTLXFSPZ-CQSZACIVSA-N 1 3 312.458 0.650 20 0 DCADHO O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CC[NH2+]C1 ZINC000418394657 287247584 /nfs/dbraw/zinc/24/75/84/287247584.db2.gz YCNBEGIRLZWDSS-DOTOQJQBSA-N 1 3 318.421 0.285 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418938707 287253615 /nfs/dbraw/zinc/25/36/15/287253615.db2.gz PTTGSRBKNFITRP-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000418992125 287259168 /nfs/dbraw/zinc/25/91/68/287259168.db2.gz ZKWRUVDVIJGNRD-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000418992125 287259169 /nfs/dbraw/zinc/25/91/69/287259169.db2.gz ZKWRUVDVIJGNRD-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000419046749 287263776 /nfs/dbraw/zinc/26/37/76/287263776.db2.gz QTTWUJIYLOYUOZ-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419147649 287268489 /nfs/dbraw/zinc/26/84/89/287268489.db2.gz CDISOJJRVYSNNJ-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000419147649 287268490 /nfs/dbraw/zinc/26/84/90/287268490.db2.gz CDISOJJRVYSNNJ-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420301590 287287772 /nfs/dbraw/zinc/28/77/72/287287772.db2.gz LNSPVSLLEKUJIR-JYJNAYRXSA-N 1 3 305.422 0.647 20 0 DCADHO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420301590 287287773 /nfs/dbraw/zinc/28/77/73/287287773.db2.gz LNSPVSLLEKUJIR-JYJNAYRXSA-N 1 3 305.422 0.647 20 0 DCADHO NC(=O)C[C@@H]1CCCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420301590 287287778 /nfs/dbraw/zinc/28/77/78/287287778.db2.gz LNSPVSLLEKUJIR-JYJNAYRXSA-N 1 3 305.422 0.647 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000342765949 415284403 /nfs/dbraw/zinc/28/44/03/415284403.db2.gz RDENDRGGVUNODH-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000332059515 415224223 /nfs/dbraw/zinc/22/42/23/415224223.db2.gz YGNIXQDQOXKQPR-QGZVFWFLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000342954301 415377427 /nfs/dbraw/zinc/37/74/27/415377427.db2.gz XPICBWPCVQNHLC-CHWSQXEVSA-N 1 3 300.447 0.289 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)CCN1CCCC1 ZINC000353374766 415522907 /nfs/dbraw/zinc/52/29/07/415522907.db2.gz YUSACEYGKAMKNI-UHFFFAOYSA-N 1 3 300.447 0.692 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)CCN1CCCC1 ZINC000353374766 415522912 /nfs/dbraw/zinc/52/29/12/415522912.db2.gz YUSACEYGKAMKNI-UHFFFAOYSA-N 1 3 300.447 0.692 20 0 DCADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000353509575 415575638 /nfs/dbraw/zinc/57/56/38/415575638.db2.gz HSQZYYAOSHFLGH-BZUAXINKSA-N 1 3 310.486 0.620 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000343312585 415550590 /nfs/dbraw/zinc/55/05/90/415550590.db2.gz PYVIAPBKRDRCPJ-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C[C@@H](O)C[NH+]1CCC(CN2CCOCC2)CC1)C1CC1 ZINC000336864555 415845902 /nfs/dbraw/zinc/84/59/02/415845902.db2.gz HEQMKXHDJUIOTG-QGZVFWFLSA-N 1 3 311.470 0.486 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000290275375 415785629 /nfs/dbraw/zinc/78/56/29/415785629.db2.gz YXWUDIBZWUTLCB-FVQBIDKESA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000290275375 415785635 /nfs/dbraw/zinc/78/56/35/415785635.db2.gz YXWUDIBZWUTLCB-FVQBIDKESA-N 1 3 305.422 0.987 20 0 DCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343961181 415800550 /nfs/dbraw/zinc/80/05/50/415800550.db2.gz SOGFSSQJODHFAV-DLBZAZTESA-N 1 3 320.481 0.567 20 0 DCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343961181 415800556 /nfs/dbraw/zinc/80/05/56/415800556.db2.gz SOGFSSQJODHFAV-DLBZAZTESA-N 1 3 320.481 0.567 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1F ZINC000130552785 415921066 /nfs/dbraw/zinc/92/10/66/415921066.db2.gz VQXPGHZGAMDASC-UHFFFAOYSA-N 1 3 324.400 0.716 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000153042099 415975794 /nfs/dbraw/zinc/97/57/94/415975794.db2.gz ZDNFBUOSAYZLIV-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000153042099 415975798 /nfs/dbraw/zinc/97/57/98/415975798.db2.gz ZDNFBUOSAYZLIV-ZIAGYGMSSA-N 1 3 312.458 0.276 20 0 DCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CCC2)CC1 ZINC000337645628 415990231 /nfs/dbraw/zinc/99/02/31/415990231.db2.gz HGNNSVBLHMIBDZ-HNNXBMFYSA-N 1 3 311.474 0.265 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000338201777 416057120 /nfs/dbraw/zinc/05/71/20/416057120.db2.gz AXTYCLZXJDVXTF-OKILXGFUSA-N 1 3 314.474 0.584 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000338201777 416057123 /nfs/dbraw/zinc/05/71/23/416057123.db2.gz AXTYCLZXJDVXTF-OKILXGFUSA-N 1 3 314.474 0.584 20 0 DCADHO CS[C@@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@@H]1[NH+](C)C ZINC000338275428 416069529 /nfs/dbraw/zinc/06/95/29/416069529.db2.gz IQICQEZKFBKCSW-UONOGXRCSA-N 1 3 314.499 0.128 20 0 DCADHO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCOCC[NH3+] ZINC000357031614 416023646 /nfs/dbraw/zinc/02/36/46/416023646.db2.gz QPNBHZJHOOFWIA-LLVKDONJSA-N 1 3 301.412 0.302 20 0 DCADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000168769929 416026139 /nfs/dbraw/zinc/02/61/39/416026139.db2.gz QKYQTFIXNMTOOY-UKRRQHHQSA-N 1 3 307.394 0.678 20 0 DCADHO CN(CCN1CCN(CCOCC[NH3+])CC1)Cc1ccccc1 ZINC000357071096 416030770 /nfs/dbraw/zinc/03/07/70/416030770.db2.gz BMQJPEFWIQLDDE-UHFFFAOYSA-N 1 3 320.481 0.711 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000357162404 416039846 /nfs/dbraw/zinc/03/98/46/416039846.db2.gz ZUVKIVKYDYVAPO-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H]1[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)CCCN1C ZINC000345572882 416118494 /nfs/dbraw/zinc/11/84/94/416118494.db2.gz PGPMPVCZQRRHDP-ZFWWWQNUSA-N 1 3 312.458 0.473 20 0 DCADHO CCN1C[C@H](C)N(C(=O)N[C@H]2CC[N@H+](CCOC)C2)C[C@H]1C ZINC000345731513 416140779 /nfs/dbraw/zinc/14/07/79/416140779.db2.gz HQGKKYQDTZKOLT-ILXRZTDVSA-N 1 3 312.458 0.831 20 0 DCADHO CCN1C[C@H](C)N(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@H]1C ZINC000345731513 416140781 /nfs/dbraw/zinc/14/07/81/416140781.db2.gz HQGKKYQDTZKOLT-ILXRZTDVSA-N 1 3 312.458 0.831 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)Cn1cccn1 ZINC000179283707 416185481 /nfs/dbraw/zinc/18/54/81/416185481.db2.gz CMFVTYLLQDFYOO-INIZCTEOSA-N 1 3 309.458 0.202 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)Cn1cccn1 ZINC000179283707 416185484 /nfs/dbraw/zinc/18/54/84/416185484.db2.gz CMFVTYLLQDFYOO-INIZCTEOSA-N 1 3 309.458 0.202 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358105962 416192069 /nfs/dbraw/zinc/19/20/69/416192069.db2.gz WZCWJMBFYCUSME-CQSZACIVSA-N 1 3 312.458 0.904 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358105962 416192074 /nfs/dbraw/zinc/19/20/74/416192074.db2.gz WZCWJMBFYCUSME-CQSZACIVSA-N 1 3 312.458 0.904 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357975086 416162897 /nfs/dbraw/zinc/16/28/97/416162897.db2.gz PHGPDEZRZOPMOF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357975086 416162901 /nfs/dbraw/zinc/16/29/01/416162901.db2.gz PHGPDEZRZOPMOF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342041316 416272032 /nfs/dbraw/zinc/27/20/32/416272032.db2.gz PMHPNOZQOYTYLV-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342041316 416272035 /nfs/dbraw/zinc/27/20/35/416272035.db2.gz PMHPNOZQOYTYLV-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342041322 416272219 /nfs/dbraw/zinc/27/22/19/416272219.db2.gz PMHPNOZQOYTYLV-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000342041322 416272222 /nfs/dbraw/zinc/27/22/22/416272222.db2.gz PMHPNOZQOYTYLV-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000342046371 416272453 /nfs/dbraw/zinc/27/24/53/416272453.db2.gz VHPBIRHJXWMZFJ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000342046371 416272457 /nfs/dbraw/zinc/27/24/57/416272457.db2.gz VHPBIRHJXWMZFJ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342054864 416273662 /nfs/dbraw/zinc/27/36/62/416273662.db2.gz ANBZDGRIGVPYCT-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342054864 416273665 /nfs/dbraw/zinc/27/36/65/416273665.db2.gz ANBZDGRIGVPYCT-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N(C)C1CC1 ZINC000342079444 416280465 /nfs/dbraw/zinc/28/04/65/416280465.db2.gz SMKRSVYFNIWXOZ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N(C)C1CC1 ZINC000342079444 416280468 /nfs/dbraw/zinc/28/04/68/416280468.db2.gz SMKRSVYFNIWXOZ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351759937 416282340 /nfs/dbraw/zinc/28/23/40/416282340.db2.gz FBLIOUNGTBQRSG-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420028732 416416644 /nfs/dbraw/zinc/41/66/44/416416644.db2.gz DKFACKIXHHBRBU-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000360172787 416376856 /nfs/dbraw/zinc/37/68/56/416376856.db2.gz VISUSYAJCRBBFL-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000360172787 416376858 /nfs/dbraw/zinc/37/68/58/416376858.db2.gz VISUSYAJCRBBFL-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000416817120 416378000 /nfs/dbraw/zinc/37/80/00/416378000.db2.gz YHIYJCJZVCNZJP-GJZGRUSLSA-N 1 3 306.410 0.577 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000418388208 416386649 /nfs/dbraw/zinc/38/66/49/416386649.db2.gz NBYUEUDZXLNRKI-KKUMJFAQSA-N 1 3 312.458 0.737 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000418907112 416393599 /nfs/dbraw/zinc/39/35/99/416393599.db2.gz GJDDYHYJPSRAHA-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)NC1CCN(C2CC2)CC1 ZINC000360564639 416397042 /nfs/dbraw/zinc/39/70/42/416397042.db2.gz REBJKMCPPULSBQ-QGZVFWFLSA-N 1 3 306.454 0.415 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419291823 416398902 /nfs/dbraw/zinc/39/89/02/416398902.db2.gz XRTKVDGUAGKTQJ-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419288229 416399074 /nfs/dbraw/zinc/39/90/74/416399074.db2.gz RLFFWGNZLBWURJ-INIZCTEOSA-N 1 3 312.458 0.340 20 0 DCADHO CN1CCCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360745690 416407623 /nfs/dbraw/zinc/40/76/23/416407623.db2.gz MHGNTSOOOQVARQ-CQSZACIVSA-N 1 3 300.472 0.771 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000360776980 416409942 /nfs/dbraw/zinc/40/99/42/416409942.db2.gz ISOALVOEMJSQCG-HOCLYGCPSA-N 1 3 308.470 0.885 20 0 DCADHO C[N@H+]1CCC[C@H]1CCN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000360776980 416409943 /nfs/dbraw/zinc/40/99/43/416409943.db2.gz ISOALVOEMJSQCG-HOCLYGCPSA-N 1 3 308.470 0.885 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419782845 416410718 /nfs/dbraw/zinc/41/07/18/416410718.db2.gz UVZZURMZISSWOU-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423061958 416463723 /nfs/dbraw/zinc/46/37/23/416463723.db2.gz LWODYZBYMZVBOL-UONOGXRCSA-N 1 3 312.458 0.228 20 0 DCADHO C[C@H](NCC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423171224 416472505 /nfs/dbraw/zinc/47/25/05/416472505.db2.gz NPUSVCUAFKPQQP-HOTGVXAUSA-N 1 3 310.486 0.513 20 0 DCADHO NC1(C(=O)NCCC[NH+]2CCC(O)CC2)Cc2ccccc2C1 ZINC000361719503 416482613 /nfs/dbraw/zinc/48/26/13/416482613.db2.gz UOLKTBJGSGDOSG-UHFFFAOYSA-N 1 3 317.433 0.446 20 0 DCADHO CN(C)CCOCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458701668 416491412 /nfs/dbraw/zinc/49/14/12/416491412.db2.gz UWDQRQDRSIVBFU-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)CCOCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458701668 416491417 /nfs/dbraw/zinc/49/14/17/416491417.db2.gz UWDQRQDRSIVBFU-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000422274285 416423979 /nfs/dbraw/zinc/42/39/79/416423979.db2.gz XXCSFJVQXFWCSO-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1NC(=O)N(CCN2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000459378749 416538118 /nfs/dbraw/zinc/53/81/18/416538118.db2.gz WSQHWPXXOSGBGT-ZDUSSCGKSA-N 1 3 310.442 0.981 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423694610 416542435 /nfs/dbraw/zinc/54/24/35/416542435.db2.gz KQKSFRZWPMWYSE-JSGCOSHPSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@H]1CN ZINC000423717959 416547813 /nfs/dbraw/zinc/54/78/13/416547813.db2.gz BLABSJWWSLUBCM-KEYYUXOJSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@H]1CN ZINC000423717959 416547818 /nfs/dbraw/zinc/54/78/18/416547818.db2.gz BLABSJWWSLUBCM-KEYYUXOJSA-N 1 3 322.453 0.126 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000423725401 416549493 /nfs/dbraw/zinc/54/94/93/416549493.db2.gz IVADQYKKTGRKNU-HNNXBMFYSA-N 1 3 318.421 0.233 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423750868 416560271 /nfs/dbraw/zinc/56/02/71/416560271.db2.gz AJRITZCVLKOAPD-AWEZNQCLSA-N 1 3 311.426 0.520 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000423369932 416499765 /nfs/dbraw/zinc/49/97/65/416499765.db2.gz CSMAXHMMEBKSCF-ILXRZTDVSA-N 1 3 324.469 0.513 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000423379425 416500438 /nfs/dbraw/zinc/50/04/38/416500438.db2.gz XRNXNQPIAVODQR-UHFFFAOYSA-N 1 3 324.425 0.238 20 0 DCADHO C[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[NH+](C)C ZINC000459040716 416520166 /nfs/dbraw/zinc/52/01/66/416520166.db2.gz MPVURAGMQUNRDZ-AWEZNQCLSA-N 1 3 312.458 0.690 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)CN1CCN(C)CC1 ZINC000366000519 416613202 /nfs/dbraw/zinc/61/32/02/416613202.db2.gz LTFUHKRYFWNYII-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000542246751 416621480 /nfs/dbraw/zinc/62/14/80/416621480.db2.gz VCYAZIKRUPSDFY-CWRNSKLLSA-N 1 3 309.454 0.678 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])C[C@H]2N)cn1 ZINC000424222573 416628778 /nfs/dbraw/zinc/62/87/78/416628778.db2.gz FJAHLIIDVSLEQI-NHIYQJMISA-N 1 3 305.426 0.581 20 0 DCADHO C[C@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C1CC[NH2+]CC1 ZINC000424238539 416631674 /nfs/dbraw/zinc/63/16/74/416631674.db2.gz NGPBWYNBYVRVHB-UHOFOFEASA-N 1 3 319.453 0.699 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482624 416655059 /nfs/dbraw/zinc/65/50/59/416655059.db2.gz USBKQYBEHNNCNW-MELADBBJSA-N 1 3 308.430 0.230 20 0 DCADHO CCN1CCN(CCCC[NH2+]C[C@@H](C)S(C)(=O)=O)CC1 ZINC000514933532 416684440 /nfs/dbraw/zinc/68/44/40/416684440.db2.gz SCGVJYARNFDBFF-CQSZACIVSA-N 1 3 305.488 0.427 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC(N)=O ZINC000426115525 416742958 /nfs/dbraw/zinc/74/29/58/416742958.db2.gz BRKQTCHEWHPFAE-AWEZNQCLSA-N 1 3 312.458 0.517 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC(N)=O ZINC000426115525 416742963 /nfs/dbraw/zinc/74/29/63/416742963.db2.gz BRKQTCHEWHPFAE-AWEZNQCLSA-N 1 3 312.458 0.517 20 0 DCADHO NS(=O)(=O)CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000369311975 416748725 /nfs/dbraw/zinc/74/87/25/416748725.db2.gz JLOPGQCJBCMUGF-IYBDPMFKSA-N 1 3 323.462 0.729 20 0 DCADHO NS(=O)(=O)CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000369311975 416748733 /nfs/dbraw/zinc/74/87/33/416748733.db2.gz JLOPGQCJBCMUGF-IYBDPMFKSA-N 1 3 323.462 0.729 20 0 DCADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368890646 416702210 /nfs/dbraw/zinc/70/22/10/416702210.db2.gz YIVRLCVXZYZCCE-HUUCEWRRSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614847374 416713227 /nfs/dbraw/zinc/71/32/27/416713227.db2.gz KTGIKCFNWPISAX-CVEARBPZSA-N 1 3 305.422 0.547 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614847374 416713233 /nfs/dbraw/zinc/71/32/33/416713233.db2.gz KTGIKCFNWPISAX-CVEARBPZSA-N 1 3 305.422 0.547 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000557199846 416728527 /nfs/dbraw/zinc/72/85/27/416728527.db2.gz MLYBCTYKFYIMLF-KBPBESRZSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)CN1CCN(C)CC1 ZINC000369175551 416729351 /nfs/dbraw/zinc/72/93/51/416729351.db2.gz WQOXSQPZYXSXDN-ZMSDIMECSA-N 1 3 308.470 0.376 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)C1 ZINC000443062653 416729921 /nfs/dbraw/zinc/72/99/21/416729921.db2.gz UPUNZKGDEGBHLS-LSDHHAIUSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631900979 416786664 /nfs/dbraw/zinc/78/66/64/416786664.db2.gz NUYXFDAYZFUDBZ-AWEZNQCLSA-N 1 3 303.472 0.734 20 0 DCADHO CN(C(=O)[C@H]1CC[NH2+]1)C1CCN(CCc2ccccn2)CC1 ZINC000444187195 416813496 /nfs/dbraw/zinc/81/34/96/416813496.db2.gz SQPNYAANZBVCQG-MRXNPFEDSA-N 1 3 302.422 0.909 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C)COC3)CC2)CC1 ZINC000636682210 416820651 /nfs/dbraw/zinc/82/06/51/416820651.db2.gz IDFWLZWFTLPFEW-UHFFFAOYSA-N 1 3 310.442 0.633 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000615615692 416869902 /nfs/dbraw/zinc/86/99/02/416869902.db2.gz BWDJHJYUAHIQOZ-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000615615692 416869910 /nfs/dbraw/zinc/86/99/10/416869910.db2.gz BWDJHJYUAHIQOZ-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000615610697 416871363 /nfs/dbraw/zinc/87/13/63/416871363.db2.gz ZZORUXAHGKVSJA-DOTOQJQBSA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000615610697 416871367 /nfs/dbraw/zinc/87/13/67/416871367.db2.gz ZZORUXAHGKVSJA-DOTOQJQBSA-N 1 3 306.454 0.321 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369777645 416825888 /nfs/dbraw/zinc/82/58/88/416825888.db2.gz LBMWTNUXUNEKRU-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369777645 416825895 /nfs/dbraw/zinc/82/58/95/416825895.db2.gz LBMWTNUXUNEKRU-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1=O ZINC000519550901 416917704 /nfs/dbraw/zinc/91/77/04/416917704.db2.gz YWWWSHSDHAFWGF-GBJTYRQASA-N 1 3 324.469 0.561 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000637092204 416983063 /nfs/dbraw/zinc/98/30/63/416983063.db2.gz YEWXZMXJDGHYPL-HUUCEWRRSA-N 1 3 310.442 0.369 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000521006887 416986532 /nfs/dbraw/zinc/98/65/32/416986532.db2.gz BZCWGVJXFGIIOY-UONOGXRCSA-N 1 3 312.458 0.737 20 0 DCADHO COC[C@@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCC[NH2+]1 ZINC000641841987 417013943 /nfs/dbraw/zinc/01/39/43/417013943.db2.gz LHVYCLDEHANERP-YCPHGPKFSA-N 1 3 310.442 0.633 20 0 DCADHO O=c1n2ccccc2nn1CCN1CCC2(CC[NH2+]C2)CC1 ZINC000431040517 417099004 /nfs/dbraw/zinc/09/90/04/417099004.db2.gz NFEGKEGLASAFGO-UHFFFAOYSA-N 1 3 301.394 0.572 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026520 417099198 /nfs/dbraw/zinc/09/91/98/417099198.db2.gz FSBMNEGVHTXSKJ-UONOGXRCSA-N 1 3 322.453 0.174 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000642247045 417036104 /nfs/dbraw/zinc/03/61/04/417036104.db2.gz HDCSOKHGYUJUPK-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000642247088 417036779 /nfs/dbraw/zinc/03/67/79/417036779.db2.gz VQZSEWMTDFLCEX-HNNXBMFYSA-N 1 3 324.469 0.468 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000642439461 417052208 /nfs/dbraw/zinc/05/22/08/417052208.db2.gz HRSIIRFXQRAAOG-MOKVOYLWSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000642439860 417054730 /nfs/dbraw/zinc/05/47/30/417054730.db2.gz PRBMOTLVCOEKGH-WMLDXEAASA-N 1 3 324.469 0.483 20 0 DCADHO CO[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000637262562 417054803 /nfs/dbraw/zinc/05/48/03/417054803.db2.gz ANIKJEASZUUHPB-IHRRRGAJSA-N 1 3 300.447 0.735 20 0 DCADHO CO[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000637262562 417054807 /nfs/dbraw/zinc/05/48/07/417054807.db2.gz ANIKJEASZUUHPB-IHRRRGAJSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000430700096 417058600 /nfs/dbraw/zinc/05/86/00/417058600.db2.gz AJGPMEPBLPNUNN-RBSFLKMASA-N 1 3 313.442 0.371 20 0 DCADHO CC[C@H](CNC(=O)COC1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000430760672 417064183 /nfs/dbraw/zinc/06/41/83/417064183.db2.gz HXAFFEPDMWJFOI-MRXNPFEDSA-N 1 3 317.433 0.928 20 0 DCADHO O=C(COC1CNC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000430787870 417065063 /nfs/dbraw/zinc/06/50/63/417065063.db2.gz WYBNAAAVXAYASG-UHFFFAOYSA-N 1 3 311.426 0.078 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000448262258 417065337 /nfs/dbraw/zinc/06/53/37/417065337.db2.gz WGJNWBAKOXPOMV-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CC[NH3+])C1 ZINC000430881176 417075313 /nfs/dbraw/zinc/07/53/13/417075313.db2.gz YXGJUVYJCSDJCM-CYBMUJFWSA-N 1 3 304.394 0.671 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000430873297 417077300 /nfs/dbraw/zinc/07/73/00/417077300.db2.gz RBRRHKQUJBYUOU-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000378490584 417079688 /nfs/dbraw/zinc/07/96/88/417079688.db2.gz DVGSMMJLQIWYNM-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000378490584 417079697 /nfs/dbraw/zinc/07/96/97/417079697.db2.gz DVGSMMJLQIWYNM-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000642731717 417085592 /nfs/dbraw/zinc/08/55/92/417085592.db2.gz SLIJWBAGOBDUQJ-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642733263 417085607 /nfs/dbraw/zinc/08/56/07/417085607.db2.gz AIXUNFSJQKKGSL-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000449112980 417120469 /nfs/dbraw/zinc/12/04/69/417120469.db2.gz FFMCKZVPAZWFRS-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637467733 417122341 /nfs/dbraw/zinc/12/23/41/417122341.db2.gz DDWSRZJWQRFARW-LSDHHAIUSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637467733 417122347 /nfs/dbraw/zinc/12/23/47/417122347.db2.gz DDWSRZJWQRFARW-LSDHHAIUSA-N 1 3 310.442 0.369 20 0 DCADHO COC1CC[NH+](C(C)(C)CNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000430721200 287350723 /nfs/dbraw/zinc/35/07/23/287350723.db2.gz KYQQUAOLVVMMAN-CQSZACIVSA-N 1 3 313.442 0.371 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449329058 417141869 /nfs/dbraw/zinc/14/18/69/417141869.db2.gz HJFGFGRNOGXZHF-KBPBESRZSA-N 1 3 322.457 0.736 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000643513879 417229556 /nfs/dbraw/zinc/22/95/56/417229556.db2.gz FIZDOGKVKABRPM-YJNKXOJESA-N 1 3 322.453 0.125 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CCOCC[NH3+] ZINC000626947582 417183768 /nfs/dbraw/zinc/18/37/68/417183768.db2.gz VFDMQWCSCMPFDE-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000643373871 417183754 /nfs/dbraw/zinc/18/37/54/417183754.db2.gz XRSBBOMEZNDNTM-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000637846428 417207768 /nfs/dbraw/zinc/20/77/68/417207768.db2.gz GPAVZIVCPKISDK-HUUCEWRRSA-N 1 3 315.458 0.557 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000527063618 417210108 /nfs/dbraw/zinc/21/01/08/417210108.db2.gz KHTRQGJBGHZXGG-UONOGXRCSA-N 1 3 312.458 0.230 20 0 DCADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN(C)S(C)(=O)=O ZINC000643460814 417214473 /nfs/dbraw/zinc/21/44/73/417214473.db2.gz HRDCXCFRMASRRP-ZFWWWQNUSA-N 1 3 313.467 0.816 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)[C@H](C)O1 ZINC000414207250 417267167 /nfs/dbraw/zinc/26/71/67/417267167.db2.gz ZJKRIVLBHCZEJX-PMPSAXMXSA-N 1 3 311.470 0.939 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433610911 417280768 /nfs/dbraw/zinc/28/07/68/417280768.db2.gz WSJLGRZPPVFIES-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433610911 417280777 /nfs/dbraw/zinc/28/07/77/417280777.db2.gz WSJLGRZPPVFIES-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000569693752 417281815 /nfs/dbraw/zinc/28/18/15/417281815.db2.gz ZIXVBZJWRBPKAR-OWCLPIDISA-N 1 3 308.470 0.790 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000643513878 417231067 /nfs/dbraw/zinc/23/10/67/417231067.db2.gz FIZDOGKVKABRPM-XGUBFFRZSA-N 1 3 322.453 0.125 20 0 DCADHO [NH3+]CC1(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000627111596 417233865 /nfs/dbraw/zinc/23/38/65/417233865.db2.gz CVIICXPNFFSDAY-KBPBESRZSA-N 1 3 310.442 0.810 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000569244880 417234207 /nfs/dbraw/zinc/23/42/07/417234207.db2.gz BXUOHWOGDPRBAR-RWMBFGLXSA-N 1 3 310.442 0.362 20 0 DCADHO CCCN1CC[C@H](NC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000627117070 417236770 /nfs/dbraw/zinc/23/67/70/417236770.db2.gz PXUDCEOFFZKGSL-GXTWGEPZSA-N 1 3 321.429 0.096 20 0 DCADHO CCCN1CC[C@H](NC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000627117071 417238189 /nfs/dbraw/zinc/23/81/89/417238189.db2.gz PXUDCEOFFZKGSL-JSGCOSHPSA-N 1 3 321.429 0.096 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[C@@H]1[NH3+] ZINC000643552891 417243347 /nfs/dbraw/zinc/24/33/47/417243347.db2.gz VGTZMWAVDPMTNG-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCCC[C@@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000414681607 417295959 /nfs/dbraw/zinc/29/59/59/417295959.db2.gz WDCKXUDHOBCHFR-HZSPNIEDSA-N 1 3 303.472 0.778 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC[C@@H]1[NH3+] ZINC000643558414 417245670 /nfs/dbraw/zinc/24/56/70/417245670.db2.gz JRAVYGGZOHMGRG-ILXRZTDVSA-N 1 3 324.469 0.513 20 0 DCADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCN2CCC[C@@H]2C1 ZINC000433380392 417259754 /nfs/dbraw/zinc/25/97/54/417259754.db2.gz BHWFMKQVAXLKNI-CHWSQXEVSA-N 1 3 304.398 0.123 20 0 DCADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCN)cc2)C1 ZINC000415265350 417350574 /nfs/dbraw/zinc/35/05/74/417350574.db2.gz DUYUGQJIFGAENC-ZDUSSCGKSA-N 1 3 318.421 0.932 20 0 DCADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCCN)cc2)C1 ZINC000415265350 417350583 /nfs/dbraw/zinc/35/05/83/417350583.db2.gz DUYUGQJIFGAENC-ZDUSSCGKSA-N 1 3 318.421 0.932 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627334248 417358006 /nfs/dbraw/zinc/35/80/06/417358006.db2.gz KTQMYTWOLURCOR-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO CCN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000627334248 417358010 /nfs/dbraw/zinc/35/80/10/417358010.db2.gz KTQMYTWOLURCOR-OAHLLOKOSA-N 1 3 324.469 0.707 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638172640 417361792 /nfs/dbraw/zinc/36/17/92/417361792.db2.gz XCCFILXJLQBJNS-WMZOPIPTSA-N 1 3 316.449 0.658 20 0 DCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570160117 417318443 /nfs/dbraw/zinc/31/84/43/417318443.db2.gz XPPWNZHOXVTQKB-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621839385 417318523 /nfs/dbraw/zinc/31/85/23/417318523.db2.gz RWHWWUDWBATSDK-JJRVBVJISA-N 1 3 322.453 0.317 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000638086898 417319522 /nfs/dbraw/zinc/31/95/22/417319522.db2.gz WYZNROYYGQLKRL-IRXDYDNUSA-N 1 3 318.465 0.904 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000638086898 417319526 /nfs/dbraw/zinc/31/95/26/417319526.db2.gz WYZNROYYGQLKRL-IRXDYDNUSA-N 1 3 318.465 0.904 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638101343 417325796 /nfs/dbraw/zinc/32/57/96/417325796.db2.gz PDOXSPANHBQROT-HOCLYGCPSA-N 1 3 321.421 0.402 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638098168 417328045 /nfs/dbraw/zinc/32/80/45/417328045.db2.gz ZWJKFXTXQSGNLS-ZIAGYGMSSA-N 1 3 308.426 0.093 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000633039888 417329934 /nfs/dbraw/zinc/32/99/34/417329934.db2.gz MALXGSOCTWTEFB-OCCSQVGLSA-N 1 3 318.421 0.677 20 0 DCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000633039887 417330600 /nfs/dbraw/zinc/33/06/00/417330600.db2.gz MALXGSOCTWTEFB-JSGCOSHPSA-N 1 3 318.421 0.677 20 0 DCADHO NCC(=O)N1CCC[C@@H](CN2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC000415131394 417332122 /nfs/dbraw/zinc/33/21/22/417332122.db2.gz SDPVJQSFUZCAFU-RDJZCZTQSA-N 1 3 316.449 0.830 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)n1 ZINC000415220280 417344364 /nfs/dbraw/zinc/34/43/64/417344364.db2.gz UUVAYTFJXWRWLA-CYBMUJFWSA-N 1 3 308.430 1.084 20 0 DCADHO COC[C@]1(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCCN1 ZINC000638264558 417395799 /nfs/dbraw/zinc/39/57/99/417395799.db2.gz YFFXWABQOYDOKB-ZOBUZTSGSA-N 1 3 309.454 0.993 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCN1C ZINC000570576960 417368198 /nfs/dbraw/zinc/36/81/98/417368198.db2.gz OVQVTLRCMFBASP-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638194520 417370188 /nfs/dbraw/zinc/37/01/88/417370188.db2.gz CHRKAGVYKKVGAI-CVEARBPZSA-N 1 3 304.438 0.704 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030642 417374504 /nfs/dbraw/zinc/37/45/04/417374504.db2.gz YUKMPEWXUGQHCN-XJKSGUPXSA-N 1 3 310.442 0.125 20 0 DCADHO Cc1cc(NC(=O)C(=O)NC(C)(C)C[NH3+])ccc1CN(C)C ZINC000415387324 417377669 /nfs/dbraw/zinc/37/76/69/417377669.db2.gz YFFIJUJZCNGDRM-UHFFFAOYSA-N 1 3 306.410 0.849 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000638385081 417437514 /nfs/dbraw/zinc/43/75/14/417437514.db2.gz BSGHZSQIFOFFBT-CABCVRRESA-N 1 3 311.426 0.077 20 0 DCADHO CC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000638406257 417448201 /nfs/dbraw/zinc/44/82/01/417448201.db2.gz JWVILLOAPOEMSW-CJNGLKHVSA-N 1 3 305.422 0.867 20 0 DCADHO CC(C)COC[C@H](O)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638413725 417451425 /nfs/dbraw/zinc/45/14/25/417451425.db2.gz DVWBMIOCWPKCLX-OAHLLOKOSA-N 1 3 302.459 0.845 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000638441228 417458237 /nfs/dbraw/zinc/45/82/37/417458237.db2.gz FJOBMYBGXWXSLP-GOEBONIOSA-N 1 3 313.442 0.311 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000638527808 417483116 /nfs/dbraw/zinc/48/31/16/417483116.db2.gz ZBLAMYYPMQKAPT-UHFFFAOYSA-N 1 3 318.421 0.916 20 0 DCADHO NC(=O)NC(=O)CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000575377324 417532202 /nfs/dbraw/zinc/53/22/02/417532202.db2.gz LISYMZHAPSIWIT-OAHLLOKOSA-N 1 3 318.421 0.726 20 0 DCADHO NC(=O)NC(=O)CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000575377324 417532208 /nfs/dbraw/zinc/53/22/08/417532208.db2.gz LISYMZHAPSIWIT-OAHLLOKOSA-N 1 3 318.421 0.726 20 0 DCADHO NC(=O)NC(=O)CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000575377324 417532216 /nfs/dbraw/zinc/53/22/16/417532216.db2.gz LISYMZHAPSIWIT-OAHLLOKOSA-N 1 3 318.421 0.726 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000638728967 417544624 /nfs/dbraw/zinc/54/46/24/417544624.db2.gz OBDRQHFIAWRSLG-CQSZACIVSA-N 1 3 313.442 0.454 20 0 DCADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@H]1COCCN1 ZINC000530224412 417552791 /nfs/dbraw/zinc/55/27/91/417552791.db2.gz MLOODRMGZGQXRE-JLJPHGGASA-N 1 3 303.406 0.820 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000575890726 417558643 /nfs/dbraw/zinc/55/86/43/417558643.db2.gz PIJWCDOQXBZAPE-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CN1CCC(n2cc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cn2)CC1 ZINC000638976916 417594338 /nfs/dbraw/zinc/59/43/38/417594338.db2.gz HENICNDDHXKORD-KGLIPLIRSA-N 1 3 307.398 0.452 20 0 DCADHO O=C(CC[C@@H]1CCC[NH2+]1)Nc1cc(N2CCNCC2)ccn1 ZINC000638983785 417597663 /nfs/dbraw/zinc/59/76/63/417597663.db2.gz FJRPUNAHHGGLAK-ZDUSSCGKSA-N 1 3 303.410 0.962 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000576729724 417632379 /nfs/dbraw/zinc/63/23/79/417632379.db2.gz RGDMMWLJHQKYJY-CABCVRRESA-N 1 3 311.474 0.391 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000576729724 417632383 /nfs/dbraw/zinc/63/23/83/417632383.db2.gz RGDMMWLJHQKYJY-CABCVRRESA-N 1 3 311.474 0.391 20 0 DCADHO CO[C@]1(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOC1 ZINC000639172814 417634404 /nfs/dbraw/zinc/63/44/04/417634404.db2.gz OQHSGXXGQFKOTO-IRXDYDNUSA-N 1 3 311.470 0.892 20 0 DCADHO CO[C@]1(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCOC1 ZINC000639172814 417634409 /nfs/dbraw/zinc/63/44/09/417634409.db2.gz OQHSGXXGQFKOTO-IRXDYDNUSA-N 1 3 311.470 0.892 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000457106630 417687608 /nfs/dbraw/zinc/68/76/08/417687608.db2.gz DICMJRSSIMHEJC-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000457106630 417687610 /nfs/dbraw/zinc/68/76/10/417687610.db2.gz DICMJRSSIMHEJC-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635560357 417702364 /nfs/dbraw/zinc/70/23/64/417702364.db2.gz LJIODIIDIWDELW-HUUCEWRRSA-N 1 3 319.453 0.998 20 0 DCADHO CCCN(CC)CC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000576937100 417648910 /nfs/dbraw/zinc/64/89/10/417648910.db2.gz WTBZKAFMMTVVCT-OAGGEKHMSA-N 1 3 301.475 0.778 20 0 DCADHO CCCN(CC)CC[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000576937096 417649157 /nfs/dbraw/zinc/64/91/57/417649157.db2.gz WTBZKAFMMTVVCT-JYJNAYRXSA-N 1 3 301.475 0.778 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635472488 417670640 /nfs/dbraw/zinc/67/06/40/417670640.db2.gz DHMKKTQEGUXXFX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645222250 417715326 /nfs/dbraw/zinc/71/53/26/417715326.db2.gz WJESIRFUYOYKCZ-HNNXBMFYSA-N 1 3 304.394 0.499 20 0 DCADHO COCCOC[C@H](O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684354 417715403 /nfs/dbraw/zinc/71/54/03/417715403.db2.gz UCOQGIGTVHTQJS-MRXNPFEDSA-N 1 3 309.410 0.618 20 0 DCADHO N[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000582180179 417733106 /nfs/dbraw/zinc/73/31/06/417733106.db2.gz ZTXCCGZVJREQTA-CQSZACIVSA-N 1 3 314.393 0.632 20 0 DCADHO C[C@H](c1ccncc1)N1CCC(NC(=O)COCC[NH3+])CC1 ZINC000646262474 417823403 /nfs/dbraw/zinc/82/34/03/417823403.db2.gz ZXIOBNPFHWYFBT-CYBMUJFWSA-N 1 3 306.410 0.699 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630932677 417828118 /nfs/dbraw/zinc/82/81/18/417828118.db2.gz OFRDNDPLECZLPU-HNNXBMFYSA-N 1 3 323.441 0.285 20 0 DCADHO CC(C)OC[C@H](N)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000662527592 417794125 /nfs/dbraw/zinc/79/41/25/417794125.db2.gz WJPVZRTWIRJVKH-HNNXBMFYSA-N 1 3 314.474 0.129 20 0 DCADHO CC(C)OC[C@H](N)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000662527592 417794128 /nfs/dbraw/zinc/79/41/28/417794128.db2.gz WJPVZRTWIRJVKH-HNNXBMFYSA-N 1 3 314.474 0.129 20 0 DCADHO CCN1CCN(CCNC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662526010 417794178 /nfs/dbraw/zinc/79/41/78/417794178.db2.gz ODSSGIJMVTUABY-UHFFFAOYSA-N 1 3 302.422 0.657 20 0 DCADHO COC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000657070973 417796766 /nfs/dbraw/zinc/79/67/66/417796766.db2.gz CUBYKNCKQMGUEK-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO COC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000657070973 417796772 /nfs/dbraw/zinc/79/67/72/417796772.db2.gz CUBYKNCKQMGUEK-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000646351336 417838933 /nfs/dbraw/zinc/83/89/33/417838933.db2.gz KXGUYXAKSMBAIL-INIZCTEOSA-N 1 3 300.406 0.410 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000646011963 417848198 /nfs/dbraw/zinc/84/81/98/417848198.db2.gz CPMNULNVDCMVBG-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000652154596 417853840 /nfs/dbraw/zinc/85/38/40/417853840.db2.gz JSAKASGCEMGNPG-MRXNPFEDSA-N 1 3 320.437 0.926 20 0 DCADHO Cn1nc(C(F)(F)F)cc1CNCC1(O)CC[NH+](C)CC1 ZINC000657371369 417854983 /nfs/dbraw/zinc/85/49/83/417854983.db2.gz JQSBHNBKNKHXNY-UHFFFAOYSA-N 1 3 306.332 0.985 20 0 DCADHO CC[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CO1 ZINC000657490558 417865438 /nfs/dbraw/zinc/86/54/38/417865438.db2.gz NTPGLZWRRWQHQW-HOTGVXAUSA-N 1 3 311.470 0.940 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCN1C ZINC000662731305 417876076 /nfs/dbraw/zinc/87/60/76/417876076.db2.gz BJAUXPJFGYTHEG-MCIONIFRSA-N 1 3 320.441 0.805 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662758842 417895605 /nfs/dbraw/zinc/89/56/05/417895605.db2.gz UWKLNQXYHKHPLM-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)C2(NC3CC3)CCC2)CC12CCOCC2 ZINC000662784485 417903321 /nfs/dbraw/zinc/90/33/21/417903321.db2.gz KHAYEWYAUGRLEA-ZDUSSCGKSA-N 1 3 307.438 0.875 20 0 DCADHO CC(C)(N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015081 417977083 /nfs/dbraw/zinc/97/70/83/417977083.db2.gz QLICHNUHHFGLMH-GFCCVEGCSA-N 1 3 320.441 0.263 20 0 DCADHO [NH3+]CC1(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000662858846 417926933 /nfs/dbraw/zinc/92/69/33/417926933.db2.gz IREMUGLMRLYAEL-INIZCTEOSA-N 1 3 317.433 0.998 20 0 DCADHO CC(C)(C[NH3+])C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662859138 417927347 /nfs/dbraw/zinc/92/73/47/417927347.db2.gz KHDRVIQBQDSFQE-OAHLLOKOSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@H]([NH3+])CCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662859430 417929428 /nfs/dbraw/zinc/92/94/28/417929428.db2.gz MMLJVNSBFWINTI-BBRMVZONSA-N 1 3 305.422 0.997 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860956 417931348 /nfs/dbraw/zinc/93/13/48/417931348.db2.gz WFLIXHHIDBWSMN-CVEARBPZSA-N 1 3 321.421 0.233 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622313 417934544 /nfs/dbraw/zinc/93/45/44/417934544.db2.gz GEGJZIWJDPSERT-LBPRGKRZSA-N 1 3 324.429 0.017 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652668329 417939031 /nfs/dbraw/zinc/93/90/31/417939031.db2.gz XHLPEAXALUAHHQ-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652668278 417939763 /nfs/dbraw/zinc/93/97/63/417939763.db2.gz VFZNBKONYXOTSE-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCC(C)CC1 ZINC000652677760 417943349 /nfs/dbraw/zinc/94/33/49/417943349.db2.gz GZGBPOFRFMTDDM-CQSZACIVSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732589 417959640 /nfs/dbraw/zinc/95/96/40/417959640.db2.gz OKIBWAORRIARDK-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652733019 417959699 /nfs/dbraw/zinc/95/96/99/417959699.db2.gz ZAYJFPZCEJMNRC-GJZGRUSLSA-N 1 3 324.469 0.659 20 0 DCADHO C[NH2+]CCc1ccccc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662945443 417960371 /nfs/dbraw/zinc/96/03/71/417960371.db2.gz BQIDCMUROJKCDI-UHFFFAOYSA-N 1 3 315.377 0.333 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735349 417960923 /nfs/dbraw/zinc/96/09/23/417960923.db2.gz HQQMOTSIYTVQII-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@](C)(N)c1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641047838 417964472 /nfs/dbraw/zinc/96/44/72/417964472.db2.gz POSANHUKQVIPLV-MRXNPFEDSA-N 1 3 322.457 0.851 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000647492975 418014366 /nfs/dbraw/zinc/01/43/66/418014366.db2.gz MIQCAJDWVYIERH-UHFFFAOYSA-N 1 3 316.449 0.916 20 0 DCADHO CN(C)[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)Cc1ccccc1 ZINC000653105900 418025846 /nfs/dbraw/zinc/02/58/46/418025846.db2.gz NAYSARBVXFXLOF-HZPDHXFCSA-N 1 3 306.454 0.555 20 0 DCADHO CN(C)[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)Cc1ccccc1 ZINC000653105897 418026284 /nfs/dbraw/zinc/02/62/84/418026284.db2.gz NAYSARBVXFXLOF-CVEARBPZSA-N 1 3 306.454 0.555 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653116908 418029060 /nfs/dbraw/zinc/02/90/60/418029060.db2.gz YAJDHWQJLXYNFF-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N(C)Cc1ccccc1 ZINC000653119513 418031015 /nfs/dbraw/zinc/03/10/15/418031015.db2.gz MGQMIXWXVPTQFI-ZVZYQTTQSA-N 1 3 317.433 0.859 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653125369 418033558 /nfs/dbraw/zinc/03/35/58/418033558.db2.gz WVNYNUUNDXJYEH-YESZJQIVSA-N 1 3 320.481 0.755 20 0 DCADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653139952 418036505 /nfs/dbraw/zinc/03/65/05/418036505.db2.gz CDBLGOKXYQCTRM-MRXNPFEDSA-N 1 3 324.444 0.995 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)C(F)(F)F ZINC000659024365 418047023 /nfs/dbraw/zinc/04/70/23/418047023.db2.gz BHEMSCVDYLLQBK-QWRGUYRKSA-N 1 3 324.347 0.429 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659523459 418110914 /nfs/dbraw/zinc/11/09/14/418110914.db2.gz LZDJVRVUZNVETK-CYBMUJFWSA-N 1 3 315.462 0.165 20 0 DCADHO CC1(OCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CNC1 ZINC000648177927 418114085 /nfs/dbraw/zinc/11/40/85/418114085.db2.gz BPGBDUJVTMWSCG-UONOGXRCSA-N 1 3 307.369 0.457 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659542174 418115720 /nfs/dbraw/zinc/11/57/20/418115720.db2.gz YPAOYYJBIJUYCY-VHDGCEQUSA-N 1 3 310.442 0.809 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000653353419 418062300 /nfs/dbraw/zinc/06/23/00/418062300.db2.gz AAKHUMHSBHVWAN-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000659114924 418063613 /nfs/dbraw/zinc/06/36/13/418063613.db2.gz SBWKAYCDUMWZJM-GFCCVEGCSA-N 1 3 322.409 0.290 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000663890735 418064624 /nfs/dbraw/zinc/06/46/24/418064624.db2.gz IAKYEPFNDRQRBG-AWEZNQCLSA-N 1 3 324.473 0.763 20 0 DCADHO C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCSC1 ZINC000659462726 418100164 /nfs/dbraw/zinc/10/01/64/418100164.db2.gz GMUVBHSWWOFHCI-WZRBSPASSA-N 1 3 304.435 0.504 20 0 DCADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659607400 418124907 /nfs/dbraw/zinc/12/49/07/418124907.db2.gz BSLCXVLOQFYDMV-RRFJBIMHSA-N 1 3 310.442 0.809 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659609068 418126043 /nfs/dbraw/zinc/12/60/43/418126043.db2.gz RTPVWOOGYFGVMP-LSDHHAIUSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659707973 418154852 /nfs/dbraw/zinc/15/48/52/418154852.db2.gz LKXNOXKSZHYWSF-UIORMTCPSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000659716189 418159290 /nfs/dbraw/zinc/15/92/90/418159290.db2.gz URJCAAQPFIIGBT-IHRRRGAJSA-N 1 3 324.469 0.480 20 0 DCADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654570484 418160973 /nfs/dbraw/zinc/16/09/73/418160973.db2.gz YYXSQGABDJSFCH-QLFBSQMISA-N 1 3 312.458 0.567 20 0 DCADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654570484 418160974 /nfs/dbraw/zinc/16/09/74/418160974.db2.gz YYXSQGABDJSFCH-QLFBSQMISA-N 1 3 312.458 0.567 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000659723830 418164025 /nfs/dbraw/zinc/16/40/25/418164025.db2.gz LFTUXRIIQSWXEM-AWEZNQCLSA-N 1 3 322.453 0.401 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734692 418168504 /nfs/dbraw/zinc/16/85/04/418168504.db2.gz OLFTWVAVKUQICO-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734844 418168960 /nfs/dbraw/zinc/16/89/60/418168960.db2.gz PGDOUADAXLMILF-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654736574 418182444 /nfs/dbraw/zinc/18/24/44/418182444.db2.gz BSKJJOJFHJOHRM-XUWVNRHRSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654736574 418182448 /nfs/dbraw/zinc/18/24/48/418182448.db2.gz BSKJJOJFHJOHRM-XUWVNRHRSA-N 1 3 322.453 0.464 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH2+]C)CC2)C1 ZINC000659738669 418170775 /nfs/dbraw/zinc/17/07/75/418170775.db2.gz IBLFSQLPYTWLGO-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665050824 418171790 /nfs/dbraw/zinc/17/17/90/418171790.db2.gz IDEPFDODASEQII-STQMWFEESA-N 1 3 315.462 0.082 20 0 DCADHO CNC(=O)C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665050824 418171792 /nfs/dbraw/zinc/17/17/92/418171792.db2.gz IDEPFDODASEQII-STQMWFEESA-N 1 3 315.462 0.082 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741090 418172392 /nfs/dbraw/zinc/17/23/92/418172392.db2.gz KSDICLKMIDETRV-TUBUQKNSSA-N 1 3 322.453 0.091 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649330384 418240746 /nfs/dbraw/zinc/24/07/46/418240746.db2.gz XLYQZVKIVZFKBZ-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO COC1(C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000649349782 418245350 /nfs/dbraw/zinc/24/53/50/418245350.db2.gz VXNUJQBFRLCFLL-UHFFFAOYSA-N 1 3 304.394 0.499 20 0 DCADHO CCN1CC[C@H](N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000660275653 418245632 /nfs/dbraw/zinc/24/56/32/418245632.db2.gz DCVQFCBSZOXHRM-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000655000425 418212578 /nfs/dbraw/zinc/21/25/78/418212578.db2.gz JPQHRGSUQQSDAM-QGZVFWFLSA-N 1 3 305.422 0.587 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000660701317 418282636 /nfs/dbraw/zinc/28/26/36/418282636.db2.gz QRTNQAKKVDDHRH-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000660701317 418282639 /nfs/dbraw/zinc/28/26/39/418282639.db2.gz QRTNQAKKVDDHRH-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCN(C)[C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655710922 418289959 /nfs/dbraw/zinc/28/99/59/418289959.db2.gz DDMKOSLPVFDARF-SJORKVTESA-N 1 3 310.486 0.465 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660846448 418295480 /nfs/dbraw/zinc/29/54/80/418295480.db2.gz GJERHOWXQSFUCH-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660846448 418295484 /nfs/dbraw/zinc/29/54/84/418295484.db2.gz GJERHOWXQSFUCH-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655960886 418306931 /nfs/dbraw/zinc/30/69/31/418306931.db2.gz BURFUWIDYJBMQP-CVEARBPZSA-N 1 3 323.485 0.598 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655961400 418308443 /nfs/dbraw/zinc/30/84/43/418308443.db2.gz QHDWRSBQMARSQZ-GJZGRUSLSA-N 1 3 309.458 0.208 20 0 DCADHO COc1cnccc1N1CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660452608 418261468 /nfs/dbraw/zinc/26/14/68/418261468.db2.gz AATQPGZUODDRLG-OAHLLOKOSA-N 1 3 322.453 0.913 20 0 DCADHO COc1cnccc1N1CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660452608 418261471 /nfs/dbraw/zinc/26/14/71/418261471.db2.gz AATQPGZUODDRLG-OAHLLOKOSA-N 1 3 322.453 0.913 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656355178 418349972 /nfs/dbraw/zinc/34/99/72/418349972.db2.gz KAEFZTCUDUFCPF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000662260749 418394216 /nfs/dbraw/zinc/39/42/16/418394216.db2.gz BVPPCISXKKPAQN-HZPDHXFCSA-N 1 3 309.454 0.694 20 0 DCADHO C([C@H]1CCC2(CNC2)O1)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000662260749 418394219 /nfs/dbraw/zinc/39/42/19/418394219.db2.gz BVPPCISXKKPAQN-HZPDHXFCSA-N 1 3 309.454 0.694 20 0 DCADHO CN1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@H](CN)C1 ZINC000662429369 418409419 /nfs/dbraw/zinc/40/94/19/418409419.db2.gz OWDOMPUEFUMPDB-HZPDHXFCSA-N 1 3 316.449 0.780 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662384611 418405999 /nfs/dbraw/zinc/40/59/99/418405999.db2.gz ZMSFHNLNDCOMMB-ZDUSSCGKSA-N 1 3 320.441 0.807 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000192842299 261139910 /nfs/dbraw/zinc/13/99/10/261139910.db2.gz FLUVUXSJXXZCFD-HOTGVXAUSA-N 1 3 301.475 0.466 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000192842299 261139912 /nfs/dbraw/zinc/13/99/12/261139912.db2.gz FLUVUXSJXXZCFD-HOTGVXAUSA-N 1 3 301.475 0.466 20 0 DCADHO CN(C)[C@@H](CNC(=O)N(CC[NH3+])CCO)Cc1ccccc1 ZINC000416859148 262241688 /nfs/dbraw/zinc/24/16/88/262241688.db2.gz ZNFMOJQWPXACAA-OAHLLOKOSA-N 1 3 308.426 0.122 20 0 DCADHO COC[C@]1(CNC(=O)N[C@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000417025550 262244013 /nfs/dbraw/zinc/24/40/13/262244013.db2.gz MZQODGINPJINGD-GDBMZVCRSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CNCCO1 ZINC000417050397 262244456 /nfs/dbraw/zinc/24/44/56/262244456.db2.gz WXIOJLPUGJLRLX-LSDHHAIUSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CNCCO1 ZINC000417050397 262244457 /nfs/dbraw/zinc/24/44/57/262244457.db2.gz WXIOJLPUGJLRLX-LSDHHAIUSA-N 1 3 312.458 0.929 20 0 DCADHO CC[NH2+]CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000417544813 262255267 /nfs/dbraw/zinc/25/52/67/262255267.db2.gz HXNYOXGUAGFINX-UHFFFAOYSA-N 1 3 300.447 0.785 20 0 DCADHO COCC1(CNC(=O)NC[C@@H](C)N(C)C2CC2)CC[NH2+]CC1 ZINC000417551259 262255274 /nfs/dbraw/zinc/25/52/74/262255274.db2.gz NTVVTVZAZVTMJT-CYBMUJFWSA-N 1 3 312.458 0.785 20 0 DCADHO COCC1(CNC(=O)NC[C@H](C)N(C)C2CC2)CC[NH2+]CC1 ZINC000417551260 262255296 /nfs/dbraw/zinc/25/52/96/262255296.db2.gz NTVVTVZAZVTMJT-ZDUSSCGKSA-N 1 3 312.458 0.785 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417584653 262255870 /nfs/dbraw/zinc/25/58/70/262255870.db2.gz NKVHMERGIHZPFV-ZBFHGGJFSA-N 1 3 312.458 0.929 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000417822513 262262426 /nfs/dbraw/zinc/26/24/26/262262426.db2.gz IQDGQJNRARMQOF-TZMCWYRMSA-N 1 3 300.472 0.817 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NCC[C@H]2CC[NH2+]C2)CCCO1 ZINC000418115998 262270650 /nfs/dbraw/zinc/27/06/50/262270650.db2.gz PMRXKCQUPSUNOU-HUUCEWRRSA-N 1 3 312.458 0.786 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418197295 262272551 /nfs/dbraw/zinc/27/25/51/262272551.db2.gz STQYGQNCOOBFKZ-AWEZNQCLSA-N 1 3 321.425 0.559 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCN1CC[NH2+]CC1 ZINC000418287981 262273878 /nfs/dbraw/zinc/27/38/78/262273878.db2.gz AFYZXBYFLPBNCD-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO C[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418318875 262274662 /nfs/dbraw/zinc/27/46/62/262274662.db2.gz CGOHPHZJSPPRBD-CVEARBPZSA-N 1 3 320.437 0.388 20 0 DCADHO CC(C)([NH3+])CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418409486 262276536 /nfs/dbraw/zinc/27/65/36/262276536.db2.gz AJKNLCUKULCTRB-QGZVFWFLSA-N 1 3 320.437 0.660 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418667579 262285621 /nfs/dbraw/zinc/28/56/21/262285621.db2.gz HHDTYPFHJWSOCE-NVXWUHKLSA-N 1 3 320.437 0.832 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418692422 262286654 /nfs/dbraw/zinc/28/66/54/262286654.db2.gz IOAKGJMTKRNKIT-CABCVRRESA-N 1 3 314.474 0.896 20 0 DCADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@H]1CCCN(CCCO)C1 ZINC000418780708 262289717 /nfs/dbraw/zinc/28/97/17/262289717.db2.gz BYAVEXJFTOJLGC-QXSJWSMHSA-N 1 3 324.469 0.521 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2CN)CCCC1 ZINC000418826108 262291755 /nfs/dbraw/zinc/29/17/55/262291755.db2.gz CFUZZPFGUXCQHJ-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NCCN)cc1 ZINC000419003893 262303092 /nfs/dbraw/zinc/30/30/92/262303092.db2.gz DPAWZGWBZLEBCY-UHFFFAOYSA-N 1 3 306.410 0.220 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419019816 262305681 /nfs/dbraw/zinc/30/56/81/262305681.db2.gz DXELECXHYOLUDG-BARDWOONSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419084607 262307709 /nfs/dbraw/zinc/30/77/09/262307709.db2.gz YVSCVFWCSJYYFH-PBHICJAKSA-N 1 3 324.469 0.564 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)C1 ZINC000419123472 262310706 /nfs/dbraw/zinc/31/07/06/262310706.db2.gz PPVNRGJPYQATKC-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)CN)CC(C)C ZINC000419128632 262311503 /nfs/dbraw/zinc/31/15/03/262311503.db2.gz WSPLBRAPQICFOJ-ZIAGYGMSSA-N 1 3 314.474 0.665 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419127139 262311744 /nfs/dbraw/zinc/31/17/44/262311744.db2.gz ZQFAZTLDMRLFIV-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H]1CN ZINC000419135160 262313206 /nfs/dbraw/zinc/31/32/06/262313206.db2.gz KTAUEHXIBJURMO-APIJFGDWSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419159969 262314475 /nfs/dbraw/zinc/31/44/75/262314475.db2.gz OQZASEJSEAQISK-CQSZACIVSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)N1CCC(C)CC1 ZINC000419161548 262315107 /nfs/dbraw/zinc/31/51/07/262315107.db2.gz RYUULJGBALBHBC-RRFJBIMHSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000419163442 262315291 /nfs/dbraw/zinc/31/52/91/262315291.db2.gz WLMYPZKVIHMSJN-ILXRZTDVSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419166947 262315817 /nfs/dbraw/zinc/31/58/17/262315817.db2.gz IEFDUYGDDNJGRG-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419175956 262317899 /nfs/dbraw/zinc/31/78/99/262317899.db2.gz YJSCWFJTDFPBKL-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419175956 262317901 /nfs/dbraw/zinc/31/79/01/262317901.db2.gz YJSCWFJTDFPBKL-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419222305 262320663 /nfs/dbraw/zinc/32/06/63/262320663.db2.gz BMGRMRUDFRXJBZ-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419409287 262331266 /nfs/dbraw/zinc/33/12/66/262331266.db2.gz MXXGXWHGRHUCNS-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419501787 262336236 /nfs/dbraw/zinc/33/62/36/262336236.db2.gz BXGKUWVLNJZBDU-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419592563 262339209 /nfs/dbraw/zinc/33/92/09/262339209.db2.gz SFPOBCSRXDHQCX-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419587167 262339250 /nfs/dbraw/zinc/33/92/50/262339250.db2.gz NLLLXURSAUYBDD-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419596071 262339707 /nfs/dbraw/zinc/33/97/07/262339707.db2.gz XMVXBLICXQLOHF-RHSMWYFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419693075 262345706 /nfs/dbraw/zinc/34/57/06/262345706.db2.gz IBCSFCMJDQKSRA-GZBFAFLISA-N 1 3 322.453 0.376 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CCC1 ZINC000419696466 262346967 /nfs/dbraw/zinc/34/69/67/262346967.db2.gz OKKQYRYDDDAXGI-LBPRGKRZSA-N 1 3 308.426 0.117 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCCC[NH3+])o1 ZINC000419838201 262348284 /nfs/dbraw/zinc/34/82/84/262348284.db2.gz FEQYRTARFZUXBH-UHFFFAOYSA-N 1 3 324.425 0.333 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419852075 262349145 /nfs/dbraw/zinc/34/91/45/262349145.db2.gz KFRDSTSJLIFDPB-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCC[C@H](C)C1 ZINC000419884661 262351978 /nfs/dbraw/zinc/35/19/78/262351978.db2.gz XTJBGLRWWDIMTP-ZUJMUWTESA-N 1 3 324.469 0.609 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419963086 262353845 /nfs/dbraw/zinc/35/38/45/262353845.db2.gz YNMZJSSUIFATLP-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000420190104 262366473 /nfs/dbraw/zinc/36/64/73/262366473.db2.gz GRSXNCNROQXITR-KBXIAJHMSA-N 1 3 324.469 0.467 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000420286886 262369078 /nfs/dbraw/zinc/36/90/78/262369078.db2.gz FXBXVZLTZWOLAA-GDBMZVCRSA-N 1 3 304.438 0.686 20 0 DCADHO C[C@H](CO)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001649800986 1173232921 /nfs/dbraw/zinc/23/29/21/1173232921.db2.gz CPNFYFUJYMNRCI-CYBMUJFWSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000358522062 271054937 /nfs/dbraw/zinc/05/49/37/271054937.db2.gz PZRGTSBEJDEFDL-CQSZACIVSA-N 1 3 313.490 0.652 20 0 DCADHO CCN1CCC(NC(=O)CN2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000359036869 271093730 /nfs/dbraw/zinc/09/37/30/271093730.db2.gz FCZKBJUEUKNMJT-CABCVRRESA-N 1 3 312.458 0.025 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418401485 271244542 /nfs/dbraw/zinc/24/45/42/271244542.db2.gz GQWWIYIUNOLPRY-ZNMIVQPWSA-N 1 3 312.458 0.506 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H](C)[NH2+]C ZINC000418626237 271248401 /nfs/dbraw/zinc/24/84/01/271248401.db2.gz KVISQVQXEKQPMC-OAHLLOKOSA-N 1 3 313.490 0.653 20 0 DCADHO CN1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418845418 271258556 /nfs/dbraw/zinc/25/85/56/271258556.db2.gz VKKABAKJZBVEMB-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000418872536 271259527 /nfs/dbraw/zinc/25/95/27/271259527.db2.gz WWDPCASPYGOQHT-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419044551 271269025 /nfs/dbraw/zinc/26/90/25/271269025.db2.gz LUKCDTVTNFQOHJ-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419186336 271277154 /nfs/dbraw/zinc/27/71/54/271277154.db2.gz PWBSREQXRPCTDB-GXTWGEPZSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419186336 271277157 /nfs/dbraw/zinc/27/71/57/271277157.db2.gz PWBSREQXRPCTDB-GXTWGEPZSA-N 1 3 310.442 0.363 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000419244688 271278135 /nfs/dbraw/zinc/27/81/35/271278135.db2.gz VJEIQQSEJBVNFJ-HNNXBMFYSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419401376 271288241 /nfs/dbraw/zinc/28/82/41/271288241.db2.gz AYYXAKHUTXNDBM-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(C)CCN)C1 ZINC000419476245 271295940 /nfs/dbraw/zinc/29/59/40/271295940.db2.gz GCXPKYALPBQERU-OKILXGFUSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N(C)CCN)C1 ZINC000419476245 271295943 /nfs/dbraw/zinc/29/59/43/271295943.db2.gz GCXPKYALPBQERU-OKILXGFUSA-N 1 3 312.458 0.278 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419578531 271309592 /nfs/dbraw/zinc/30/95/92/271309592.db2.gz DZRBDMMMIHTJDP-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000419652042 271314971 /nfs/dbraw/zinc/31/49/71/271314971.db2.gz WWHBUTWDYZGVTB-OAHLLOKOSA-N 1 3 318.421 0.185 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419887586 271338292 /nfs/dbraw/zinc/33/82/92/271338292.db2.gz FGFLCDOKYKZCGU-MJBXVCDLSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419935219 271345498 /nfs/dbraw/zinc/34/54/98/271345498.db2.gz IMDXMFQEBAKMQK-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419942424 271346871 /nfs/dbraw/zinc/34/68/71/271346871.db2.gz ZUMSQOJMNBYZCR-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419939820 271346877 /nfs/dbraw/zinc/34/68/77/271346877.db2.gz YQUMWFGALXXJJQ-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419951424 271349184 /nfs/dbraw/zinc/34/91/84/271349184.db2.gz JJALLGPQVGPGMN-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419951424 271349187 /nfs/dbraw/zinc/34/91/87/271349187.db2.gz JJALLGPQVGPGMN-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000420008708 271350253 /nfs/dbraw/zinc/35/02/53/271350253.db2.gz BWNFXRYJYKPYDW-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420015036 271351900 /nfs/dbraw/zinc/35/19/00/271351900.db2.gz KUARVXGYOTWWPB-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(=O)N1CCN(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422866870 271390670 /nfs/dbraw/zinc/39/06/70/271390670.db2.gz RARNYQTYSXHLDZ-QAPCUYQASA-N 1 3 318.465 0.699 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)CC2([NH+](C)C)CCC2)CC1=O ZINC000438616070 271630892 /nfs/dbraw/zinc/63/08/92/271630892.db2.gz CZGFAAIIVMRQJQ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449320808 271848847 /nfs/dbraw/zinc/84/88/47/271848847.db2.gz PWWOFWSQVHKBHU-KGLIPLIRSA-N 1 3 320.441 0.634 20 0 DCADHO CCN(C(=O)/C=C\CN(C)C)C1CN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492015087 272113058 /nfs/dbraw/zinc/11/30/58/272113058.db2.gz CRCCCUXEZBRGDO-XOHWUJONSA-N 1 3 322.453 0.281 20 0 DCADHO CCN(C(=O)/C=C\C[NH+](C)C)C1CN(C(=O)/C=C\CN(C)C)C1 ZINC000492015087 272113061 /nfs/dbraw/zinc/11/30/61/272113061.db2.gz CRCCCUXEZBRGDO-XOHWUJONSA-N 1 3 322.453 0.281 20 0 DCADHO C[NH+](C)C/C=C\C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000492313240 272122983 /nfs/dbraw/zinc/12/29/83/272122983.db2.gz OPFVYNOJZMXLLV-HYHHROLSSA-N 1 3 317.433 0.856 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000377273276 276194165 /nfs/dbraw/zinc/19/41/65/276194165.db2.gz LYFBKBYEDQKFSV-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CN(C)[C@H](CNC(=O)CCOC1C[NH2+]C1)Cc1ccccc1 ZINC000349006910 276852628 /nfs/dbraw/zinc/85/26/28/276852628.db2.gz UHIGLSJTJMRWEZ-HNNXBMFYSA-N 1 3 305.422 0.654 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419777027 277040583 /nfs/dbraw/zinc/04/05/83/277040583.db2.gz MMDBXOKUVHMZCX-CHWSQXEVSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000430950575 277264928 /nfs/dbraw/zinc/26/49/28/277264928.db2.gz RTKOZXIPBAOPIQ-GXTWGEPZSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC000418835656 277299758 /nfs/dbraw/zinc/29/97/58/277299758.db2.gz ODICWHWVFKGSJF-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)C[NH+]1CCCCC1 ZINC000545884045 288003673 /nfs/dbraw/zinc/00/36/73/288003673.db2.gz FDBUJNLYELUIOI-ZBFHGGJFSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)C[NH+]1CCCCC1 ZINC000545884043 288003710 /nfs/dbraw/zinc/00/37/10/288003710.db2.gz FDBUJNLYELUIOI-GOEBONIOSA-N 1 3 312.458 0.474 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000419955189 278975850 /nfs/dbraw/zinc/97/58/50/278975850.db2.gz NHKQBVGYJLGNDT-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364041555 279306034 /nfs/dbraw/zinc/30/60/34/279306034.db2.gz XSYWJCMBHQXGRZ-ILXRZTDVSA-N 1 3 309.458 0.448 20 0 DCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)CC12CCCCC2 ZINC000263247420 280273836 /nfs/dbraw/zinc/27/38/36/280273836.db2.gz NNAVDRCPAVEAOO-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1C[N@@H+]([C@H]2CCCCNC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000343987101 288251851 /nfs/dbraw/zinc/25/18/51/288251851.db2.gz RWAYFLKOHSLVEU-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1C[N@H+]([C@H]2CCCCNC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000343987101 288251853 /nfs/dbraw/zinc/25/18/53/288251853.db2.gz RWAYFLKOHSLVEU-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nncn3C)CC2)CC1 ZINC000553222695 288291404 /nfs/dbraw/zinc/29/14/04/288291404.db2.gz FXLJKWBIMBACNN-UHFFFAOYSA-N 1 3 320.441 0.950 20 0 DCADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332574023 281196176 /nfs/dbraw/zinc/19/61/76/281196176.db2.gz XNAPROIJFQPHCS-WUCCLRPBSA-N 1 3 322.453 0.458 20 0 DCADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000332596187 288314352 /nfs/dbraw/zinc/31/43/52/288314352.db2.gz HPPSUKYVWGBQEC-KBPBESRZSA-N 1 3 308.426 0.021 20 0 DCADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)C(=O)NC1C[NH2+]C1 ZINC000561256376 288536030 /nfs/dbraw/zinc/53/60/30/288536030.db2.gz BBQLJQKOJPAIEC-HNNXBMFYSA-N 1 3 316.405 0.028 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418829910 289540035 /nfs/dbraw/zinc/54/00/35/289540035.db2.gz FASRLVYFRZUMRP-UKRRQHHQSA-N 1 3 320.437 0.081 20 0 DCADHO CNC(=O)C[C@@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268853973 290443268 /nfs/dbraw/zinc/44/32/68/290443268.db2.gz YOGFVKPBXYNVFA-OAHLLOKOSA-N 1 3 319.453 0.708 20 0 DCADHO COC[C@]1(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CCC[NH2+]1 ZINC000418656042 293288813 /nfs/dbraw/zinc/28/88/13/293288813.db2.gz OQJCWNQOJAABFS-OFQRWUPVSA-N 1 3 312.458 0.737 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333751817 294610529 /nfs/dbraw/zinc/61/05/29/294610529.db2.gz ZDWUAWKYPWCWEB-KKUMJFAQSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H](CCNC(=O)C(=O)NC1CCN(C)CC1)[NH+]1CCCCC1 ZINC000339637883 298434130 /nfs/dbraw/zinc/43/41/30/298434130.db2.gz WILPFJYXDBLEKL-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000570697457 332802668 /nfs/dbraw/zinc/80/26/68/332802668.db2.gz MWXGTTWFJMBDLH-GDBMZVCRSA-N 1 3 310.442 0.635 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C2)CC1 ZINC000570166201 332720346 /nfs/dbraw/zinc/72/03/46/332720346.db2.gz KWXZADJCFFQHAX-VYDXJSESSA-N 1 3 306.454 0.365 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1(C)C ZINC000571043715 333488941 /nfs/dbraw/zinc/48/89/41/333488941.db2.gz AWCSYTWLWHGQBP-VBQJREDUSA-N 1 3 324.469 0.025 20 0 DCADHO NC(=O)c1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000582549298 337103738 /nfs/dbraw/zinc/10/37/38/337103738.db2.gz UYNBNXOZVFRWOY-CYBMUJFWSA-N 1 3 303.410 0.302 20 0 DCADHO COCCN1CC[C@@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000584467718 337347465 /nfs/dbraw/zinc/34/74/65/337347465.db2.gz CKNMBPLYUWIEME-ZBFHGGJFSA-N 1 3 303.406 0.710 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000575741157 341801925 /nfs/dbraw/zinc/80/19/25/341801925.db2.gz RUSCKLWOYVQXMQ-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)CCn1nccc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000576120770 341828143 /nfs/dbraw/zinc/82/81/43/341828143.db2.gz PKNREENMGIVXLJ-UHFFFAOYSA-N 1 3 319.413 0.455 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000577489277 341912240 /nfs/dbraw/zinc/91/22/40/341912240.db2.gz PORZVEKPIGOZEA-LZLYRXPVSA-N 1 3 323.481 0.975 20 0 DCADHO CN(CC[NH2+]CCc1cnn(C)c1)C(=O)CN(C)C1CCC1 ZINC001567508753 1160400802 /nfs/dbraw/zinc/40/08/02/1160400802.db2.gz GEQMUSKZSVEYOC-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1CNCC(N)=O ZINC001568430980 1160646030 /nfs/dbraw/zinc/64/60/30/1160646030.db2.gz CMFUYJWNSKIDOK-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CCC(F)(F)F)CCC1 ZINC001568564692 1160686108 /nfs/dbraw/zinc/68/61/08/1160686108.db2.gz YNYKFMSMCACYOJ-SNVBAGLBSA-N 1 3 311.348 0.490 20 0 DCADHO C[NH+](C)CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000130635303 521779029 /nfs/dbraw/zinc/77/90/29/521779029.db2.gz QPMUAWNZBZZLHG-UHFFFAOYSA-N 1 3 304.438 0.877 20 0 DCADHO COc1cc(CNC(=O)C(C)(C)N)ccc1OCC[NH+](C)C ZINC000237127843 522408485 /nfs/dbraw/zinc/40/84/85/522408485.db2.gz KYVRBXUKNAMGOC-UHFFFAOYSA-N 1 3 309.410 0.989 20 0 DCADHO CN(CCOCC[N@H+](C)CCn1cccn1)CCn1cccn1 ZINC000267448584 522893245 /nfs/dbraw/zinc/89/32/45/522893245.db2.gz QPDMHSFVJAQBKU-UHFFFAOYSA-N 1 3 320.441 0.660 20 0 DCADHO CN(CCOCC[N@@H+](C)CCn1cccn1)CCn1cccn1 ZINC000267448584 522893257 /nfs/dbraw/zinc/89/32/57/522893257.db2.gz QPDMHSFVJAQBKU-UHFFFAOYSA-N 1 3 320.441 0.660 20 0 DCADHO CNC(=O)C1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000106020577 524045577 /nfs/dbraw/zinc/04/55/77/524045577.db2.gz FKCMMFKMQQZZAO-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)CN1CCN(C)CC1 ZINC000364224063 524386199 /nfs/dbraw/zinc/38/61/99/524386199.db2.gz YOUNYMHPTVFYDU-CVEARBPZSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237459309 524988473 /nfs/dbraw/zinc/98/84/73/524988473.db2.gz GTLSZCOMXSQLSX-OAHLLOKOSA-N 1 3 304.438 0.658 20 0 DCADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237955326 527156905 /nfs/dbraw/zinc/15/69/05/527156905.db2.gz NTXSVPMDAJJVMK-OAHLLOKOSA-N 1 3 317.437 0.401 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCc1cncn1C ZINC001664391801 1174429209 /nfs/dbraw/zinc/42/92/09/1174429209.db2.gz RTUWAYAUGQRWCZ-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000236697591 545951747 /nfs/dbraw/zinc/95/17/47/545951747.db2.gz KFLWMJVQKKKECX-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)CN1CCOCC1 ZINC000336866654 546097959 /nfs/dbraw/zinc/09/79/59/546097959.db2.gz PDEJLYKWHBNWAB-MRXNPFEDSA-N 1 3 313.486 0.732 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)CN1CCOCC1 ZINC000336866654 546097965 /nfs/dbraw/zinc/09/79/65/546097965.db2.gz PDEJLYKWHBNWAB-MRXNPFEDSA-N 1 3 313.486 0.732 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000342997627 546127916 /nfs/dbraw/zinc/12/79/16/546127916.db2.gz WUBANYARGZMCKC-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000389690488 546219012 /nfs/dbraw/zinc/21/90/12/546219012.db2.gz ZYBRQAAYEAWURA-LBPRGKRZSA-N 1 3 306.414 0.417 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615272238 546315172 /nfs/dbraw/zinc/31/51/72/546315172.db2.gz BSDCMUNWAJWEIZ-GASCZTMLSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615272238 546315174 /nfs/dbraw/zinc/31/51/74/546315174.db2.gz BSDCMUNWAJWEIZ-GASCZTMLSA-N 1 3 308.470 0.565 20 0 DCADHO CNC(=O)CCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757205 546393484 /nfs/dbraw/zinc/39/34/84/546393484.db2.gz BGWKLQWZYNSDKZ-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO CNC(=O)CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757205 546393490 /nfs/dbraw/zinc/39/34/90/546393490.db2.gz BGWKLQWZYNSDKZ-ZDUSSCGKSA-N 1 3 315.462 0.036 20 0 DCADHO CC(C)[C@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665758960 546393772 /nfs/dbraw/zinc/39/37/72/546393772.db2.gz VHGTYLJGXOVFMJ-UONOGXRCSA-N 1 3 302.463 0.575 20 0 DCADHO CC(C)[C@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665758960 546393776 /nfs/dbraw/zinc/39/37/76/546393776.db2.gz VHGTYLJGXOVFMJ-UONOGXRCSA-N 1 3 302.463 0.575 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCOC1 ZINC000665759356 546394712 /nfs/dbraw/zinc/39/47/12/546394712.db2.gz DGXHFHFGYFHFAZ-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCOC1 ZINC000665759356 546394715 /nfs/dbraw/zinc/39/47/15/546394715.db2.gz DGXHFHFGYFHFAZ-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)CCO ZINC000665763718 546397971 /nfs/dbraw/zinc/39/79/71/546397971.db2.gz KBIXYKIVYWPJAF-KBPBESRZSA-N 1 3 302.463 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)CCO ZINC000665763718 546397974 /nfs/dbraw/zinc/39/79/74/546397974.db2.gz KBIXYKIVYWPJAF-KBPBESRZSA-N 1 3 302.463 0.671 20 0 DCADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)O ZINC000665764074 546397988 /nfs/dbraw/zinc/39/79/88/546397988.db2.gz TWYZQHATZRXOGT-MELADBBJSA-N 1 3 302.463 0.717 20 0 DCADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)O ZINC000665764074 546397991 /nfs/dbraw/zinc/39/79/91/546397991.db2.gz TWYZQHATZRXOGT-MELADBBJSA-N 1 3 302.463 0.717 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000667294431 546584008 /nfs/dbraw/zinc/58/40/08/546584008.db2.gz UZPYSSUIVVZIBI-UHFFFAOYSA-N 1 3 318.421 0.863 20 0 DCADHO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC2CNC2)cc1 ZINC000667319137 546586884 /nfs/dbraw/zinc/58/68/84/546586884.db2.gz LJTVAGWSENTQNM-UHFFFAOYSA-N 1 3 320.393 0.044 20 0 DCADHO O=C(NCCNc1cc[nH+]cc1)Nc1cnc2c(c1)CNCC2 ZINC000667797732 546655397 /nfs/dbraw/zinc/65/53/97/546655397.db2.gz WCHOEMRJSPPIAA-UHFFFAOYSA-N 1 3 312.377 0.778 20 0 DCADHO CCN(C(=O)C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CCN(CC)C1 ZINC000668777650 546844785 /nfs/dbraw/zinc/84/47/85/546844785.db2.gz SVDNARGPOZCSHX-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CCN(CC)C1 ZINC000668777650 546844791 /nfs/dbraw/zinc/84/47/91/546844791.db2.gz SVDNARGPOZCSHX-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000669402942 546967655 /nfs/dbraw/zinc/96/76/55/546967655.db2.gz BGOPXBUTISKPQP-OAHLLOKOSA-N 1 3 305.426 0.955 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669473217 546974954 /nfs/dbraw/zinc/97/49/54/546974954.db2.gz PVYGLOQVYWSFMK-ZNMIVQPWSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCO1 ZINC000669570922 546992801 /nfs/dbraw/zinc/99/28/01/546992801.db2.gz QPXPSQLYAWNJFW-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC000669573485 546993719 /nfs/dbraw/zinc/99/37/19/546993719.db2.gz VVMXWPOJDGANIY-IHRRRGAJSA-N 1 3 312.458 0.864 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000673973784 547549540 /nfs/dbraw/zinc/54/95/40/547549540.db2.gz BDXFPMXHVILESF-GXTWGEPZSA-N 1 3 300.472 0.817 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000675120641 547663088 /nfs/dbraw/zinc/66/30/88/547663088.db2.gz KTRDILGHEXAHFY-XJKSGUPXSA-N 1 3 324.469 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000675120641 547663090 /nfs/dbraw/zinc/66/30/90/547663090.db2.gz KTRDILGHEXAHFY-XJKSGUPXSA-N 1 3 324.469 0.879 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(C(F)F)n1 ZINC000678835398 548009368 /nfs/dbraw/zinc/00/93/68/548009368.db2.gz LMRMWIZIYPBJPC-UHFFFAOYSA-N 1 3 303.357 0.844 20 0 DCADHO CO[C@@H]1CN(CCCC[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000683097844 548451760 /nfs/dbraw/zinc/45/17/60/548451760.db2.gz YKXIAPIZDDSGRF-GEEKYZPCSA-N 1 3 316.442 0.458 20 0 DCADHO CO[C@@H]1CN(CCCC[N@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000683097844 548451763 /nfs/dbraw/zinc/45/17/63/548451763.db2.gz YKXIAPIZDDSGRF-GEEKYZPCSA-N 1 3 316.442 0.458 20 0 DCADHO CO[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000684966280 548664307 /nfs/dbraw/zinc/66/43/07/548664307.db2.gz BQBSXJAXWPEYQR-AWEZNQCLSA-N 1 3 311.430 0.059 20 0 DCADHO CCN(CC)C(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668641806 1174815603 /nfs/dbraw/zinc/81/56/03/1174815603.db2.gz VDDKUWHYSOVXSA-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)C(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668641806 1174815609 /nfs/dbraw/zinc/81/56/09/1174815609.db2.gz VDDKUWHYSOVXSA-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2cnns2)CN1C(=O)CN1CCCC1 ZINC000980802429 661014182 /nfs/dbraw/zinc/01/41/82/661014182.db2.gz ZDLNBMFYYFRMHS-CHWSQXEVSA-N 1 3 323.466 0.961 20 0 DCADHO COC[C@H](C)N1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981169117 661090295 /nfs/dbraw/zinc/09/02/95/661090295.db2.gz OURASHWIZHLJRK-GOEBONIOSA-N 1 3 309.454 0.897 20 0 DCADHO CCC[N@@H+]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981647354 661189139 /nfs/dbraw/zinc/18/91/39/661189139.db2.gz ZUXFFOLGCXAGMZ-CKDBGZEDSA-N 1 3 307.438 0.794 20 0 DCADHO CCC[N@H+]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981647354 661189140 /nfs/dbraw/zinc/18/91/40/661189140.db2.gz ZUXFFOLGCXAGMZ-CKDBGZEDSA-N 1 3 307.438 0.794 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2CCn2cccn2)CC1 ZINC001028114596 661196599 /nfs/dbraw/zinc/19/65/99/661196599.db2.gz JPERQOUOOATJEZ-INIZCTEOSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000998177465 665411154 /nfs/dbraw/zinc/41/11/54/665411154.db2.gz GOWQDFKXAMJTRO-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000998177465 665411157 /nfs/dbraw/zinc/41/11/57/665411157.db2.gz GOWQDFKXAMJTRO-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891579879 657495810 /nfs/dbraw/zinc/49/58/10/657495810.db2.gz NPBGTNSARDRBEM-GASCZTMLSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001023124311 657536124 /nfs/dbraw/zinc/53/61/24/657536124.db2.gz FOFYCKCCEGHKMA-GEEKYZPCSA-N 1 3 319.453 0.993 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023128925 657540052 /nfs/dbraw/zinc/54/00/52/657540052.db2.gz YXTTVSXZQNMRLF-ZNMIVQPWSA-N 1 3 320.441 0.389 20 0 DCADHO OCc1c[nH+]ccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000891752909 657717534 /nfs/dbraw/zinc/71/75/34/657717534.db2.gz POOCBABTQIHRNJ-QGZVFWFLSA-N 1 3 313.401 0.827 20 0 DCADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@H]1CS(N)(=O)=O ZINC000933700322 657751092 /nfs/dbraw/zinc/75/10/92/657751092.db2.gz OKRYMDVSEDSZMY-KGLIPLIRSA-N 1 3 303.472 0.719 20 0 DCADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@H]1CS(N)(=O)=O ZINC000933700322 657751103 /nfs/dbraw/zinc/75/11/03/657751103.db2.gz OKRYMDVSEDSZMY-KGLIPLIRSA-N 1 3 303.472 0.719 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC000970792730 657910032 /nfs/dbraw/zinc/91/00/32/657910032.db2.gz TVOLDAAOVJEONH-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(CCOC2CCC2)C1 ZINC000970876239 658011390 /nfs/dbraw/zinc/01/13/90/658011390.db2.gz UBUKTOQXJKEBSP-KGLIPLIRSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCOC2CCC2)C1 ZINC000970876239 658011401 /nfs/dbraw/zinc/01/14/01/658011401.db2.gz UBUKTOQXJKEBSP-KGLIPLIRSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968663 658102597 /nfs/dbraw/zinc/10/25/97/658102597.db2.gz GNWLAEZMPJVQKO-KRIMKBQASA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968663 658102602 /nfs/dbraw/zinc/10/26/02/658102602.db2.gz GNWLAEZMPJVQKO-KRIMKBQASA-N 1 3 307.438 0.791 20 0 DCADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)CC1 ZINC000969800389 658155247 /nfs/dbraw/zinc/15/52/47/658155247.db2.gz PYBWOWSBNJSWHA-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001020587623 658158087 /nfs/dbraw/zinc/15/80/87/658158087.db2.gz NTUOBPSSCGYTKU-QCQGSNGOSA-N 1 3 315.433 0.817 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001020590441 658165896 /nfs/dbraw/zinc/16/58/96/658165896.db2.gz WTDHCXARIJEQLB-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001020591418 658171530 /nfs/dbraw/zinc/17/15/30/658171530.db2.gz NFTGFNQMVDJRJX-SHTZXODSSA-N 1 3 319.453 0.852 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CCCO)CC[C@H]21 ZINC001021679858 658213096 /nfs/dbraw/zinc/21/30/96/658213096.db2.gz SSYBAMGDDJWYAW-UKRRQHHQSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CCCO)CC[C@H]21 ZINC001021679858 658213103 /nfs/dbraw/zinc/21/31/03/658213103.db2.gz SSYBAMGDDJWYAW-UKRRQHHQSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000969949527 658284715 /nfs/dbraw/zinc/28/47/15/658284715.db2.gz UANNMTACYXNGNT-HUUCEWRRSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC000969954497 658288552 /nfs/dbraw/zinc/28/85/52/658288552.db2.gz FKLCFBGYZFQUBL-LSDHHAIUSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001023889243 658297075 /nfs/dbraw/zinc/29/70/75/658297075.db2.gz MQFCLGBTYORMGO-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022718970 658381929 /nfs/dbraw/zinc/38/19/29/658381929.db2.gz GOYUHYQXCCBOOE-XEZLXBQYSA-N 1 3 323.466 0.781 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022718970 658381941 /nfs/dbraw/zinc/38/19/41/658381941.db2.gz GOYUHYQXCCBOOE-XEZLXBQYSA-N 1 3 323.466 0.781 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022721384 658389684 /nfs/dbraw/zinc/38/96/84/658389684.db2.gz WOOMFEWGLOCDKZ-XPCVCDNBSA-N 1 3 320.441 0.233 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022721384 658389693 /nfs/dbraw/zinc/38/96/93/658389693.db2.gz WOOMFEWGLOCDKZ-XPCVCDNBSA-N 1 3 320.441 0.233 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892281170 658588824 /nfs/dbraw/zinc/58/88/24/658588824.db2.gz PXSKUDUQHAFOHG-JKSUJKDBSA-N 1 3 323.485 0.548 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001020929496 658591690 /nfs/dbraw/zinc/59/16/90/658591690.db2.gz ZPQIKTIAZOIEJJ-FVQBIDKESA-N 1 3 317.437 0.864 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001020929496 658591697 /nfs/dbraw/zinc/59/16/97/658591697.db2.gz ZPQIKTIAZOIEJJ-FVQBIDKESA-N 1 3 317.437 0.864 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1)C(N)=O ZINC001022808700 658601360 /nfs/dbraw/zinc/60/13/60/658601360.db2.gz YZUFZGVSAFQGIY-BARDWOONSA-N 1 3 324.469 0.750 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1)N(C)C ZINC000972355801 658610646 /nfs/dbraw/zinc/61/06/46/658610646.db2.gz ZXYGHSYHIKBAAV-CVEARBPZSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1)N(C)C ZINC000972355801 658610651 /nfs/dbraw/zinc/61/06/51/658610651.db2.gz ZXYGHSYHIKBAAV-CVEARBPZSA-N 1 3 321.469 0.836 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001021895983 658627055 /nfs/dbraw/zinc/62/70/55/658627055.db2.gz STAYCKZJRDLNGR-MBNYWOFBSA-N 1 3 306.414 0.129 20 0 DCADHO C[C@@H](O)CN1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530008 658688534 /nfs/dbraw/zinc/68/85/34/658688534.db2.gz BLSWOJUEIIGGAL-CABCVRRESA-N 1 3 309.454 0.966 20 0 DCADHO CN1CCC[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000891403785 658704083 /nfs/dbraw/zinc/70/40/83/658704083.db2.gz ZSVCGRWUCXUVQX-OUAUKWLOSA-N 1 3 308.348 0.859 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891513365 658898384 /nfs/dbraw/zinc/89/83/84/658898384.db2.gz AZFYUESWDOSBJT-ZNMIVQPWSA-N 1 3 324.469 0.927 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000891513745 658898445 /nfs/dbraw/zinc/89/84/45/658898445.db2.gz GHTGVEYQHHYRAI-ZIAGYGMSSA-N 1 3 305.382 0.326 20 0 DCADHO Nc1ccnc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000891513745 658898454 /nfs/dbraw/zinc/89/84/54/658898454.db2.gz GHTGVEYQHHYRAI-ZIAGYGMSSA-N 1 3 305.382 0.326 20 0 DCADHO [NH3+][C@@H]1CCCCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000891513857 658899545 /nfs/dbraw/zinc/89/95/45/658899545.db2.gz IFYUEFONURDBIQ-ILXRZTDVSA-N 1 3 310.442 0.763 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC000999350569 665633915 /nfs/dbraw/zinc/63/39/15/665633915.db2.gz YKHFKCYEEUZONR-OAHLLOKOSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1)C1CC1 ZINC000999372691 665634836 /nfs/dbraw/zinc/63/48/36/665634836.db2.gz OUJMIRROQLABFM-HOCLYGCPSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001025098419 659032439 /nfs/dbraw/zinc/03/24/39/659032439.db2.gz SNWVLJUMVNTVPI-DZGCQCFKSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999405266 665641752 /nfs/dbraw/zinc/64/17/52/665641752.db2.gz DWOHSFMFPYQULH-NFOMZHRRSA-N 1 3 319.453 0.983 20 0 DCADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001027216444 659088817 /nfs/dbraw/zinc/08/88/17/659088817.db2.gz UFMJOWFUXVQKMG-STQMWFEESA-N 1 3 322.409 0.573 20 0 DCADHO COc1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027216444 659088820 /nfs/dbraw/zinc/08/88/20/659088820.db2.gz UFMJOWFUXVQKMG-STQMWFEESA-N 1 3 322.409 0.573 20 0 DCADHO CCn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217376 659089527 /nfs/dbraw/zinc/08/95/27/659089527.db2.gz JNUQXBLWNUNTRV-HNNXBMFYSA-N 1 3 319.453 0.937 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)C1 ZINC000999407752 665641977 /nfs/dbraw/zinc/64/19/77/665641977.db2.gz GFKKGPXSDLUJLQ-QQFBHYJXSA-N 1 3 319.453 0.804 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001025160109 659097049 /nfs/dbraw/zinc/09/70/49/659097049.db2.gz YWSZCPYJHRHWAE-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001025160109 659097056 /nfs/dbraw/zinc/09/70/56/659097056.db2.gz YWSZCPYJHRHWAE-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC000893221576 659108899 /nfs/dbraw/zinc/10/88/99/659108899.db2.gz NDSZUYDKCRGLMA-KLHDSHLOSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC000893221576 659108903 /nfs/dbraw/zinc/10/89/03/659108903.db2.gz NDSZUYDKCRGLMA-KLHDSHLOSA-N 1 3 324.469 0.710 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000892688210 659285164 /nfs/dbraw/zinc/28/51/64/659285164.db2.gz SFYCMLZUBHPAKV-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892688210 659285169 /nfs/dbraw/zinc/28/51/69/659285169.db2.gz SFYCMLZUBHPAKV-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO O=C(N1CCC[C@H](N[C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000999599236 665663277 /nfs/dbraw/zinc/66/32/77/665663277.db2.gz XTAFDOSEGRJXNA-KBPBESRZSA-N 1 3 320.437 0.084 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892757153 659433504 /nfs/dbraw/zinc/43/35/04/659433504.db2.gz UAUBYXAGAVFHSV-MJBXVCDLSA-N 1 3 310.442 0.537 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)nn1C ZINC001026732816 659489056 /nfs/dbraw/zinc/48/90/56/659489056.db2.gz FWYYAKCZVIXIEY-HOCLYGCPSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nnsc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026732834 659490044 /nfs/dbraw/zinc/49/00/44/659490044.db2.gz FZHIHBQKUOUYAS-QWHCGFSZSA-N 1 3 323.466 0.879 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734658 659492520 /nfs/dbraw/zinc/49/25/20/659492520.db2.gz RBTWWIYHQNDNHK-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025798872 659565055 /nfs/dbraw/zinc/56/50/55/659565055.db2.gz MWMDLLUNIBXXNC-UUAJXVIYSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025798872 659565061 /nfs/dbraw/zinc/56/50/61/659565061.db2.gz MWMDLLUNIBXXNC-UUAJXVIYSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025798887 659565538 /nfs/dbraw/zinc/56/55/38/659565538.db2.gz OGOUEENSTRWWEM-QMIVOQANSA-N 1 3 311.401 0.256 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025798887 659565544 /nfs/dbraw/zinc/56/55/44/659565544.db2.gz OGOUEENSTRWWEM-QMIVOQANSA-N 1 3 311.401 0.256 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999857960 665693328 /nfs/dbraw/zinc/69/33/28/665693328.db2.gz NBZKJPCOAAADDP-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999857960 665693331 /nfs/dbraw/zinc/69/33/31/665693331.db2.gz NBZKJPCOAAADDP-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000974943139 659738559 /nfs/dbraw/zinc/73/85/59/659738559.db2.gz DQGDCOQOAWJLNQ-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000974943139 659738561 /nfs/dbraw/zinc/73/85/61/659738561.db2.gz DQGDCOQOAWJLNQ-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO COC[C@H](C)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977497885 659739944 /nfs/dbraw/zinc/73/99/44/659739944.db2.gz LNGQCMAHRIXNPR-UONOGXRCSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)C1 ZINC001026043099 659759014 /nfs/dbraw/zinc/75/90/14/659759014.db2.gz ALCVKJZSSQMBNV-NPCUJANDSA-N 1 3 307.438 0.411 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)C1 ZINC001026043099 659759019 /nfs/dbraw/zinc/75/90/19/659759019.db2.gz ALCVKJZSSQMBNV-NPCUJANDSA-N 1 3 307.438 0.411 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001026043851 659760876 /nfs/dbraw/zinc/76/08/76/659760876.db2.gz GQOZBNBZZHPOIZ-RFBLXINOSA-N 1 3 317.437 0.127 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001026043851 659760880 /nfs/dbraw/zinc/76/08/80/659760880.db2.gz GQOZBNBZZHPOIZ-RFBLXINOSA-N 1 3 317.437 0.127 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001027091432 659798027 /nfs/dbraw/zinc/79/80/27/659798027.db2.gz MMAIZRJNWDQJBB-UONOGXRCSA-N 1 3 306.410 0.817 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC000999875979 665705802 /nfs/dbraw/zinc/70/58/02/665705802.db2.gz JWGVTWNNEKZKDU-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CC2(C1)CCCN(CCO)C2 ZINC000982162526 661298287 /nfs/dbraw/zinc/29/82/87/661298287.db2.gz SGZIRXMWLDXSOM-UHFFFAOYSA-N 1 3 309.454 0.779 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001000188989 665768580 /nfs/dbraw/zinc/76/85/80/665768580.db2.gz BWSZRCGMDCIQAN-CABCVRRESA-N 1 3 320.441 0.343 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001000198077 665773310 /nfs/dbraw/zinc/77/33/10/665773310.db2.gz KIRUOGBRRDYZNQ-LSDHHAIUSA-N 1 3 320.441 0.201 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001000221631 665787713 /nfs/dbraw/zinc/78/77/13/665787713.db2.gz ZSPPLHAKBTXLQQ-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NCc2cc[nH]c(=O)c2)CC1 ZINC000921715098 665789471 /nfs/dbraw/zinc/78/94/71/665789471.db2.gz BRBPRRSKMJVPTN-UHFFFAOYSA-N 1 3 306.410 0.820 20 0 DCADHO CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001028764397 661812964 /nfs/dbraw/zinc/81/29/64/661812964.db2.gz GBQWDAHEESGEOC-LBPRGKRZSA-N 1 3 322.409 0.139 20 0 DCADHO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2occc2CN(C)C)C1 ZINC001028764397 661812968 /nfs/dbraw/zinc/81/29/68/661812968.db2.gz GBQWDAHEESGEOC-LBPRGKRZSA-N 1 3 322.409 0.139 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(Cc3ccccn3)C2)C1 ZINC001028986308 661920241 /nfs/dbraw/zinc/92/02/41/661920241.db2.gz QDAKLZNKKSJVAJ-CABCVRRESA-N 1 3 302.422 0.971 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(Cc3ccccn3)C2)C1 ZINC001028986308 661920245 /nfs/dbraw/zinc/92/02/45/661920245.db2.gz QDAKLZNKKSJVAJ-CABCVRRESA-N 1 3 302.422 0.971 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896565415 662292080 /nfs/dbraw/zinc/29/20/80/662292080.db2.gz UWAAYSNIFBTHOT-DZGCQCFKSA-N 1 3 307.442 0.722 20 0 DCADHO Cc1nccn1CCCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896565415 662292082 /nfs/dbraw/zinc/29/20/82/662292082.db2.gz UWAAYSNIFBTHOT-DZGCQCFKSA-N 1 3 307.442 0.722 20 0 DCADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CCCN(C)C1 ZINC000896748236 662310028 /nfs/dbraw/zinc/31/00/28/662310028.db2.gz JJJVOVCDGDNYOJ-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@H]1CCCN(C)C1 ZINC000896748236 662310029 /nfs/dbraw/zinc/31/00/29/662310029.db2.gz JJJVOVCDGDNYOJ-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000896748236 662310031 /nfs/dbraw/zinc/31/00/31/662310031.db2.gz JJJVOVCDGDNYOJ-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000896748236 662310034 /nfs/dbraw/zinc/31/00/34/662310034.db2.gz JJJVOVCDGDNYOJ-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO O=C(N[C@H]1C[C@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000985040112 662358254 /nfs/dbraw/zinc/35/82/54/662358254.db2.gz KVXAIPMSEVEUTG-HAQNSBGRSA-N 1 3 321.450 0.618 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985482194 662465734 /nfs/dbraw/zinc/46/57/34/662465734.db2.gz UZCNPYUXZHREHO-KBPBESRZSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000985482194 662465735 /nfs/dbraw/zinc/46/57/35/662465735.db2.gz UZCNPYUXZHREHO-KBPBESRZSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000985647967 662495440 /nfs/dbraw/zinc/49/54/40/662495440.db2.gz SLFWZAZBGYMIBG-QWHCGFSZSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000985647967 662495441 /nfs/dbraw/zinc/49/54/41/662495441.db2.gz SLFWZAZBGYMIBG-QWHCGFSZSA-N 1 3 310.442 0.267 20 0 DCADHO C[N@@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@@H]1CCOC1 ZINC001029852586 662498011 /nfs/dbraw/zinc/49/80/11/662498011.db2.gz FKHMAXUFNIECOO-KBPBESRZSA-N 1 3 306.410 0.769 20 0 DCADHO C[N@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C[C@@H]1CCOC1 ZINC001029852586 662498012 /nfs/dbraw/zinc/49/80/12/662498012.db2.gz FKHMAXUFNIECOO-KBPBESRZSA-N 1 3 306.410 0.769 20 0 DCADHO C[C@H](C(=O)N1CCC(N(C)CC(N)=O)CC1)[NH+]1CCCCCC1 ZINC000985683458 662499969 /nfs/dbraw/zinc/49/99/69/662499969.db2.gz TZUMEVGKDUPAAE-CQSZACIVSA-N 1 3 324.469 0.659 20 0 DCADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985789911 662513257 /nfs/dbraw/zinc/51/32/57/662513257.db2.gz GOIXISPLDSGWMB-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985789911 662513258 /nfs/dbraw/zinc/51/32/58/662513258.db2.gz GOIXISPLDSGWMB-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987057553 662639267 /nfs/dbraw/zinc/63/92/67/662639267.db2.gz JDXXSTXQDMJZOC-DOMZBBRYSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@@H]1[C@@H](NCCF)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987278143 662665509 /nfs/dbraw/zinc/66/55/09/662665509.db2.gz IGOLODLVGRANQS-OCCSQVGLSA-N 1 3 301.406 0.646 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000664808 665906727 /nfs/dbraw/zinc/90/67/27/665906727.db2.gz QHZSODISUSPOMD-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000664808 665906730 /nfs/dbraw/zinc/90/67/30/665906730.db2.gz QHZSODISUSPOMD-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000690437 665910149 /nfs/dbraw/zinc/91/01/49/665910149.db2.gz UKLLPYSZNLXBDG-KGLIPLIRSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000690437 665910151 /nfs/dbraw/zinc/91/01/51/665910151.db2.gz UKLLPYSZNLXBDG-KGLIPLIRSA-N 1 3 320.441 0.536 20 0 DCADHO CC[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729584830 662904068 /nfs/dbraw/zinc/90/40/68/662904068.db2.gz KPPPVJVCDNSFOX-GJZGRUSLSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000989797731 662980093 /nfs/dbraw/zinc/98/00/93/662980093.db2.gz ZWOWRFCJUDEUOP-GOEBONIOSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)CN1C(=O)CN1CCCC1 ZINC000989799023 662980553 /nfs/dbraw/zinc/98/05/53/662980553.db2.gz ITPWOZSPAVHWAZ-LSDHHAIUSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001030020699 663084632 /nfs/dbraw/zinc/08/46/32/663084632.db2.gz CPAIOEGFLGTFIW-CRWXNKLISA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001030020699 663084633 /nfs/dbraw/zinc/08/46/33/663084633.db2.gz CPAIOEGFLGTFIW-CRWXNKLISA-N 1 3 310.442 0.171 20 0 DCADHO C[NH+](C)CCCNC(=S)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000899664956 663161674 /nfs/dbraw/zinc/16/16/74/663161674.db2.gz VUEAOBYRNDYOBO-KBPBESRZSA-N 1 3 314.499 0.344 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900465572 663247212 /nfs/dbraw/zinc/24/72/12/663247212.db2.gz BDMNCMIUCANBGR-HUUCEWRRSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccnn1CCN(C)C ZINC000900818773 663284683 /nfs/dbraw/zinc/28/46/83/663284683.db2.gz HQFZGRODMOTSFB-UONOGXRCSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnn1CCN(C)C ZINC000900818773 663284686 /nfs/dbraw/zinc/28/46/86/663284686.db2.gz HQFZGRODMOTSFB-UONOGXRCSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnn1CC[NH+](C)C ZINC000901026761 663303975 /nfs/dbraw/zinc/30/39/75/663303975.db2.gz PWYGWXBIRVBKIM-JSGCOSHPSA-N 1 3 305.426 0.657 20 0 DCADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCn1ccc(=O)[nH]c1=O ZINC000902516617 663417658 /nfs/dbraw/zinc/41/76/58/663417658.db2.gz DYDCOAHSQOJRCS-ZFWWWQNUSA-N 1 3 316.405 0.887 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCCC[C@@H]1C)C2 ZINC000903490987 663458018 /nfs/dbraw/zinc/45/80/18/663458018.db2.gz PXLQWKOLTXZMJZ-ZJOBFFGXSA-N 1 3 323.437 0.600 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491905 663458198 /nfs/dbraw/zinc/45/81/98/663458198.db2.gz FUUYHKUZSRYJOE-BLXSCJOCSA-N 1 3 311.426 0.502 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NCC(C)C)C2 ZINC000903491938 663458447 /nfs/dbraw/zinc/45/84/47/663458447.db2.gz GUPCAIOKNBVATP-JFILPPLUSA-N 1 3 311.426 0.359 20 0 DCADHO O=C(NC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903725125 663475367 /nfs/dbraw/zinc/47/53/67/663475367.db2.gz WVHNTUPYPHJLBR-RDJZCZTQSA-N 1 3 307.438 0.746 20 0 DCADHO CNC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903777708 663483592 /nfs/dbraw/zinc/48/35/92/663483592.db2.gz CSPMIQDEXXZARL-DZKIICNBSA-N 1 3 310.442 0.539 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C(C)C ZINC000903809930 663486936 /nfs/dbraw/zinc/48/69/36/663486936.db2.gz WKJKLRYECRMOQB-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903982821 663498974 /nfs/dbraw/zinc/49/89/74/663498974.db2.gz WXLHWQOEEIYTFM-GMTAPVOTSA-N 1 3 308.348 0.005 20 0 DCADHO Cn1ccc([C@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000903987988 663499882 /nfs/dbraw/zinc/49/98/82/663499882.db2.gz LYYATTXUSGXFFM-CABCVRRESA-N 1 3 319.453 0.797 20 0 DCADHO Cn1ccc([C@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000903987988 663499883 /nfs/dbraw/zinc/49/98/83/663499883.db2.gz LYYATTXUSGXFFM-CABCVRRESA-N 1 3 319.453 0.797 20 0 DCADHO CC[N@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000977320 665969548 /nfs/dbraw/zinc/96/95/48/665969548.db2.gz PKQWSVFWUOIMAW-ISXOHVOVSA-N 1 3 305.422 0.618 20 0 DCADHO CC[N@@H+]1CC=C(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001000977320 665969551 /nfs/dbraw/zinc/96/95/51/665969551.db2.gz PKQWSVFWUOIMAW-ISXOHVOVSA-N 1 3 305.422 0.618 20 0 DCADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905055535 663529163 /nfs/dbraw/zinc/52/91/63/663529163.db2.gz PNPUNRKSQVEENJ-AWEZNQCLSA-N 1 3 300.443 0.741 20 0 DCADHO OCC1(C[C@H](O)CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000905076033 663530485 /nfs/dbraw/zinc/53/04/85/663530485.db2.gz LILLXUFUOFBOCY-HRCADAONSA-N 1 3 312.454 0.743 20 0 DCADHO OCC1(C[C@H](O)CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000905076033 663530486 /nfs/dbraw/zinc/53/04/86/663530486.db2.gz LILLXUFUOFBOCY-HRCADAONSA-N 1 3 312.454 0.743 20 0 DCADHO O[C@H](C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)CN1CCCC1 ZINC000905344454 663546908 /nfs/dbraw/zinc/54/69/08/663546908.db2.gz JCWREAKJXCRSBD-BBWFWOEESA-N 1 3 308.422 0.517 20 0 DCADHO CN1CC[N@H+](C)CC(C(=O)Nc2ccn(-c3ccncc3)n2)C1 ZINC000906695899 663635852 /nfs/dbraw/zinc/63/58/52/663635852.db2.gz BNMYSJZFCZECHG-UHFFFAOYSA-N 1 3 314.393 0.699 20 0 DCADHO CN1CC[N@@H+](C)CC(C(=O)Nc2ccn(-c3ccncc3)n2)C1 ZINC000906695899 663635853 /nfs/dbraw/zinc/63/58/53/663635853.db2.gz BNMYSJZFCZECHG-UHFFFAOYSA-N 1 3 314.393 0.699 20 0 DCADHO Cn1nc2c(c1CNCCN1CCC([NH+](C)C)CC1)COCC2 ZINC000921818107 665987911 /nfs/dbraw/zinc/98/79/11/665987911.db2.gz XKUAKKYDRNSYRY-UHFFFAOYSA-N 1 3 321.469 0.608 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000908200522 663742381 /nfs/dbraw/zinc/74/23/81/663742381.db2.gz ITQRZCDCUCIGTL-HRCADAONSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000908200522 663742382 /nfs/dbraw/zinc/74/23/82/663742382.db2.gz ITQRZCDCUCIGTL-HRCADAONSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000908293667 663749061 /nfs/dbraw/zinc/74/90/61/663749061.db2.gz OULOPOLQLZSUSZ-UONOGXRCSA-N 1 3 305.426 0.468 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000908293667 663749062 /nfs/dbraw/zinc/74/90/62/663749062.db2.gz OULOPOLQLZSUSZ-UONOGXRCSA-N 1 3 305.426 0.468 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CCC(C)CC1 ZINC000911091135 663980691 /nfs/dbraw/zinc/98/06/91/663980691.db2.gz OFCLNFOXRLTSCS-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000911160509 663995287 /nfs/dbraw/zinc/99/52/87/663995287.db2.gz DLASHVWIHNQXCZ-KGLIPLIRSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911160542 663995291 /nfs/dbraw/zinc/99/52/91/663995291.db2.gz DTISVKKVQGAXCY-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911257395 664016762 /nfs/dbraw/zinc/01/67/62/664016762.db2.gz HUFLLLIOZAPDDG-OLZOCXBDSA-N 1 3 324.469 0.419 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000911321785 664033347 /nfs/dbraw/zinc/03/33/47/664033347.db2.gz GOOYCDITMYKIQE-UHFFFAOYSA-N 1 3 310.442 0.080 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911337071 664037756 /nfs/dbraw/zinc/03/77/56/664037756.db2.gz PMWNRSPKKSGVNF-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000911346055 664040403 /nfs/dbraw/zinc/04/04/03/664040403.db2.gz NEOLWNQJNIAYJY-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000911529223 664068851 /nfs/dbraw/zinc/06/88/51/664068851.db2.gz AJKQDNIQTIJCGX-SUMWQHHRSA-N 1 3 322.453 0.174 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911530587 664069431 /nfs/dbraw/zinc/06/94/31/664069431.db2.gz ZYONOWKQVAGPCS-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000911532087 664070099 /nfs/dbraw/zinc/07/00/99/664070099.db2.gz KJTACPKZLUVQBT-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000911533678 664070675 /nfs/dbraw/zinc/07/06/75/664070675.db2.gz PJWGQFKUEAMESL-KRWDZBQOSA-N 1 3 322.453 0.047 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NC[C@H]3CCC[NH2+]3)ccc2NC1=O ZINC000911751642 664105693 /nfs/dbraw/zinc/10/56/93/664105693.db2.gz NSCISCTVSHMMML-CHWSQXEVSA-N 1 3 302.378 0.380 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000991477714 664359869 /nfs/dbraw/zinc/35/98/69/664359869.db2.gz HLORKZOBVBDZHA-HUUCEWRRSA-N 1 3 322.453 0.280 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000991477714 664359870 /nfs/dbraw/zinc/35/98/70/664359870.db2.gz HLORKZOBVBDZHA-HUUCEWRRSA-N 1 3 322.453 0.280 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000993816550 665006147 /nfs/dbraw/zinc/00/61/47/665006147.db2.gz LFHGQWGLJOWUFU-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000993816550 665006149 /nfs/dbraw/zinc/00/61/49/665006149.db2.gz LFHGQWGLJOWUFU-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000733040190 665051687 /nfs/dbraw/zinc/05/16/87/665051687.db2.gz HGDHOGQCOAEZNE-CABCVRRESA-N 1 3 310.442 0.587 20 0 DCADHO C[NH+](C)CCNC(=S)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000916017092 665056216 /nfs/dbraw/zinc/05/62/16/665056216.db2.gz RMXLHFUMQVVITA-AWEZNQCLSA-N 1 3 314.499 0.609 20 0 DCADHO CC[C@H](CN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)OC ZINC001031675101 665283227 /nfs/dbraw/zinc/28/32/27/665283227.db2.gz VILINIAWTZWGPT-HZPDHXFCSA-N 1 3 309.454 0.801 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941666275 666040793 /nfs/dbraw/zinc/04/07/93/666040793.db2.gz SKFKVPYQZJTTEZ-MRXNPFEDSA-N 1 3 320.481 0.567 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941666275 666040794 /nfs/dbraw/zinc/04/07/94/666040794.db2.gz SKFKVPYQZJTTEZ-MRXNPFEDSA-N 1 3 320.481 0.567 20 0 DCADHO CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000941669294 666041414 /nfs/dbraw/zinc/04/14/14/666041414.db2.gz YAIYYIJGXMAPPH-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000944184709 666401473 /nfs/dbraw/zinc/40/14/73/666401473.db2.gz HWZNNYBSGLPIPI-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000944184709 666401475 /nfs/dbraw/zinc/40/14/75/666401475.db2.gz HWZNNYBSGLPIPI-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032207419 666451539 /nfs/dbraw/zinc/45/15/39/666451539.db2.gz QIMHLDIURJJIAT-ZDUSSCGKSA-N 1 3 305.422 0.791 20 0 DCADHO CN(CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1)C1CCC1 ZINC000946623544 666557351 /nfs/dbraw/zinc/55/73/51/666557351.db2.gz LWDTXESHQPXWNI-OKILXGFUSA-N 1 3 322.453 0.126 20 0 DCADHO CN(CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1)C1CCC1 ZINC000946623544 666557353 /nfs/dbraw/zinc/55/73/53/666557353.db2.gz LWDTXESHQPXWNI-OKILXGFUSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C)C(N)=O ZINC000995996990 666729089 /nfs/dbraw/zinc/72/90/89/666729089.db2.gz OAOLPXZEMINRQZ-STQMWFEESA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034239262 666964424 /nfs/dbraw/zinc/96/44/24/666964424.db2.gz TWUAJAFFNRFJHG-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034239262 666964426 /nfs/dbraw/zinc/96/44/26/666964426.db2.gz TWUAJAFFNRFJHG-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1)C(N)=O ZINC000996965339 667044479 /nfs/dbraw/zinc/04/44/79/667044479.db2.gz OSLOPAQRKWOONY-UONOGXRCSA-N 1 3 312.458 0.417 20 0 DCADHO O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC001034654039 667091315 /nfs/dbraw/zinc/09/13/15/667091315.db2.gz WMCOKHWFTMHIGG-ZQDZILKHSA-N 1 3 313.417 0.836 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cn1 ZINC001034885426 667170241 /nfs/dbraw/zinc/17/02/41/667170241.db2.gz SNKCUEMHMGKIKN-HZPDHXFCSA-N 1 3 317.437 0.960 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997367641 667261046 /nfs/dbraw/zinc/26/10/46/667261046.db2.gz LJNXNZGUWHLKDX-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC2(CC[N@H+](CCO)C2)CC1)C1CC1 ZINC001035193993 667268994 /nfs/dbraw/zinc/26/89/94/667268994.db2.gz RWKAKWNFYXHGOZ-HNNXBMFYSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1)C1CC1 ZINC001035193993 667268995 /nfs/dbraw/zinc/26/89/95/667268995.db2.gz RWKAKWNFYXHGOZ-HNNXBMFYSA-N 1 3 309.454 0.633 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997609101 667348111 /nfs/dbraw/zinc/34/81/11/667348111.db2.gz ZBZRBEFLKPVYOD-HNNXBMFYSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035719879 667403538 /nfs/dbraw/zinc/40/35/38/667403538.db2.gz CMBIKYYIBOHGCA-HIFRSBDPSA-N 1 3 309.454 0.632 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035857364 667414888 /nfs/dbraw/zinc/41/48/88/667414888.db2.gz MLLWURXVUXMPRQ-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035857364 667414889 /nfs/dbraw/zinc/41/48/89/667414889.db2.gz MLLWURXVUXMPRQ-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO COCC[C@@H](N)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000884217125 667501689 /nfs/dbraw/zinc/50/16/89/667501689.db2.gz FUPKTXROPPBHKC-CYBMUJFWSA-N 1 3 301.431 0.356 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000884235593 667507079 /nfs/dbraw/zinc/50/70/79/667507079.db2.gz ZDMUTMWCDHGMSH-HNNXBMFYSA-N 1 3 306.410 0.741 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000884235593 667507081 /nfs/dbraw/zinc/50/70/81/667507081.db2.gz ZDMUTMWCDHGMSH-HNNXBMFYSA-N 1 3 306.410 0.741 20 0 DCADHO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923375944 667520148 /nfs/dbraw/zinc/52/01/48/667520148.db2.gz SHKUFYJHQFBGHK-CABCVRRESA-N 1 3 311.430 0.551 20 0 DCADHO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923375944 667520152 /nfs/dbraw/zinc/52/01/52/667520152.db2.gz SHKUFYJHQFBGHK-CABCVRRESA-N 1 3 311.430 0.551 20 0 DCADHO CCOc1ccc(OC[C@@H](O)CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000923381796 667521207 /nfs/dbraw/zinc/52/12/07/667521207.db2.gz OTIQJUGEMGVYKK-AWEZNQCLSA-N 1 3 324.421 0.611 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001006066330 667522228 /nfs/dbraw/zinc/52/22/28/667522228.db2.gz QZCUROHGUNCXIE-ZDUSSCGKSA-N 1 3 306.410 0.912 20 0 DCADHO COCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000884404470 667538973 /nfs/dbraw/zinc/53/89/73/667538973.db2.gz NIZLLNBANHLZGL-RBSFLKMASA-N 1 3 309.385 0.751 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923496484 667545519 /nfs/dbraw/zinc/54/55/19/667545519.db2.gz ADRPYYLYOCHZPF-JSGCOSHPSA-N 1 3 311.426 0.315 20 0 DCADHO COCC[C@H](N)C(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000884450225 667547471 /nfs/dbraw/zinc/54/74/71/667547471.db2.gz BKJFIFDZNAIFNY-AWEZNQCLSA-N 1 3 301.431 0.167 20 0 DCADHO Cc1cc(=O)n2nc(CN3CC[C@H](C[NH3+])[C@@H](C)C3)sc2n1 ZINC000923497780 667548368 /nfs/dbraw/zinc/54/83/68/667548368.db2.gz DVNPTJZJERTPIT-GXSJLCMTSA-N 1 3 307.423 0.876 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000868302470 667554621 /nfs/dbraw/zinc/55/46/21/667554621.db2.gz GUZUHACGKQKLHC-OKILXGFUSA-N 1 3 318.421 0.849 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868363254 667560277 /nfs/dbraw/zinc/56/02/77/667560277.db2.gz HWUIGEFHBVFXFJ-HOCLYGCPSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000868363254 667560280 /nfs/dbraw/zinc/56/02/80/667560280.db2.gz HWUIGEFHBVFXFJ-HOCLYGCPSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000868407287 667567853 /nfs/dbraw/zinc/56/78/53/667567853.db2.gz UUDOIZMWLQGJOU-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000884576474 667569575 /nfs/dbraw/zinc/56/95/75/667569575.db2.gz IKBDFMKUIBAHDS-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884787287 667607429 /nfs/dbraw/zinc/60/74/29/667607429.db2.gz MYEPKPJVJVNVTN-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CNC1 ZINC000923609037 667648167 /nfs/dbraw/zinc/64/81/67/667648167.db2.gz SYGTUSUIHBHAFT-AWEZNQCLSA-N 1 3 315.483 0.922 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CNC1 ZINC000923609037 667648168 /nfs/dbraw/zinc/64/81/68/667648168.db2.gz SYGTUSUIHBHAFT-AWEZNQCLSA-N 1 3 315.483 0.922 20 0 DCADHO CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000886319337 667755750 /nfs/dbraw/zinc/75/57/50/667755750.db2.gz BLHMJLNTAORVNU-LBPRGKRZSA-N 1 3 303.472 0.873 20 0 DCADHO CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000886592857 667780734 /nfs/dbraw/zinc/78/07/34/667780734.db2.gz COAGVZBXDNJHFE-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000886592857 667780738 /nfs/dbraw/zinc/78/07/38/667780738.db2.gz COAGVZBXDNJHFE-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO CCN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000886990670 667828116 /nfs/dbraw/zinc/82/81/16/667828116.db2.gz RLVCFLVGINJOIC-OAHLLOKOSA-N 1 3 318.421 0.897 20 0 DCADHO COC(=O)CNC(=O)CCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132468 667852766 /nfs/dbraw/zinc/85/27/66/667852766.db2.gz GKHMGOJPHVZZHA-CYBMUJFWSA-N 1 3 320.393 0.271 20 0 DCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)Cn1cccn1 ZINC000887131103 667852883 /nfs/dbraw/zinc/85/28/83/667852883.db2.gz RBHKLSVDGSPZNO-GOEBONIOSA-N 1 3 301.394 0.850 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000745802331 667856015 /nfs/dbraw/zinc/85/60/15/667856015.db2.gz KSJMEUKKRWVJPJ-APIJFGDWSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[N@H+]1C ZINC000745802331 667856021 /nfs/dbraw/zinc/85/60/21/667856021.db2.gz KSJMEUKKRWVJPJ-APIJFGDWSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CCCCCC[NH3+] ZINC000872154880 667870816 /nfs/dbraw/zinc/87/08/16/667870816.db2.gz DCPVQUNURNPVAZ-ZIAGYGMSSA-N 1 3 312.458 0.550 20 0 DCADHO CC(C)OC[C@@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000872202774 667877114 /nfs/dbraw/zinc/87/71/14/667877114.db2.gz JZEBDCLAAXVPEA-HRCADAONSA-N 1 3 300.443 0.740 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873249352 668068955 /nfs/dbraw/zinc/06/89/55/668068955.db2.gz MQMRIMOTWLUJAW-RYUDHWBXSA-N 1 3 304.394 0.954 20 0 DCADHO CC[NH+](CC)CCOCCNC(=S)NC1CCN(C)CC1 ZINC000757936279 668151414 /nfs/dbraw/zinc/15/14/14/668151414.db2.gz MAEZFWOACIKFBR-UHFFFAOYSA-N 1 3 316.515 0.903 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1[C@H]1CC[N@H+](CC2CC2)C1 ZINC000924591994 668219680 /nfs/dbraw/zinc/21/96/80/668219680.db2.gz PINKEKTUKLIPPG-LSDHHAIUSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000924591994 668219683 /nfs/dbraw/zinc/21/96/83/668219683.db2.gz PINKEKTUKLIPPG-LSDHHAIUSA-N 1 3 320.437 0.877 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000924982725 668259477 /nfs/dbraw/zinc/25/94/77/668259477.db2.gz WQIGKLGMADKXAM-DLBZAZTESA-N 1 3 317.433 0.616 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000924982725 668259481 /nfs/dbraw/zinc/25/94/81/668259481.db2.gz WQIGKLGMADKXAM-DLBZAZTESA-N 1 3 317.433 0.616 20 0 DCADHO C1CC1[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CNCCO1 ZINC000925801725 668350549 /nfs/dbraw/zinc/35/05/49/668350549.db2.gz YMLIHWCYYGPIGE-PMPSAXMXSA-N 1 3 309.454 0.502 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000926745635 668427212 /nfs/dbraw/zinc/42/72/12/668427212.db2.gz OPJIFZCFYRLLSR-IXEWLPCDSA-N 1 3 323.481 0.532 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765354845 668485577 /nfs/dbraw/zinc/48/55/77/668485577.db2.gz VTRAGDFMNUGRFG-HOTGVXAUSA-N 1 3 322.497 0.955 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCCC1 ZINC000876713445 668492897 /nfs/dbraw/zinc/49/28/97/668492897.db2.gz PQEOGJOTCPTELO-CQSZACIVSA-N 1 3 305.426 0.942 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876756952 668503423 /nfs/dbraw/zinc/50/34/23/668503423.db2.gz BGNDZNSCQMTCSM-OCCSQVGLSA-N 1 3 315.433 0.940 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876782414 668510491 /nfs/dbraw/zinc/51/04/91/668510491.db2.gz QDYIOIJIXMAMIX-WFASDCNBSA-N 1 3 321.400 0.720 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1=O ZINC000877152731 668568516 /nfs/dbraw/zinc/56/85/16/668568516.db2.gz CFFTVEQEQKBMGA-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C2)cc1 ZINC000877222340 668578290 /nfs/dbraw/zinc/57/82/90/668578290.db2.gz ZEJPBMFVLNHXMH-HOTGVXAUSA-N 1 3 304.438 0.574 20 0 DCADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1Cc2ccccc2CN1 ZINC000877343711 668605633 /nfs/dbraw/zinc/60/56/33/668605633.db2.gz QYHAOTNUPIJGIT-HUUCEWRRSA-N 1 3 305.447 0.912 20 0 DCADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346733 668606479 /nfs/dbraw/zinc/60/64/79/668606479.db2.gz HAFHRRBZMFCHAF-JKSUJKDBSA-N 1 3 303.406 0.586 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N(C)CCCCCC[NH3+])CC1=O ZINC000877440073 668619737 /nfs/dbraw/zinc/61/97/37/668619737.db2.gz ZIHLDUBGTDWYLW-CQSZACIVSA-N 1 3 312.458 0.374 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=S)NCCC[NH+](C)C ZINC000769766468 668661172 /nfs/dbraw/zinc/66/11/72/668661172.db2.gz MUWAKVSDLAJMCZ-CQSZACIVSA-N 1 3 315.531 0.428 20 0 DCADHO O[C@H](CN1CCC(C[NH+]2CCCC2)CC1)C[C@]1(O)CCOC1 ZINC000929276104 668671142 /nfs/dbraw/zinc/67/11/42/668671142.db2.gz OOXHDZRKLPNZEF-DLBZAZTESA-N 1 3 312.454 0.697 20 0 DCADHO C[C@H]1CN(CCN2CCC([NH+]3CCN(C)CC3)CC2)CCO1 ZINC000879596260 669070074 /nfs/dbraw/zinc/07/00/74/669070074.db2.gz KQAPGWSNSWKKDE-INIZCTEOSA-N 1 3 310.486 0.419 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000879993878 669142485 /nfs/dbraw/zinc/14/24/85/669142485.db2.gz WFVVYSGNOWLFIT-XJKSGUPXSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000879993878 669142487 /nfs/dbraw/zinc/14/24/87/669142487.db2.gz WFVVYSGNOWLFIT-XJKSGUPXSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932018780 669299403 /nfs/dbraw/zinc/29/94/03/669299403.db2.gz YYVPJQWMDFPUJQ-OFQRWUPVSA-N 1 3 313.442 0.898 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932018780 669299407 /nfs/dbraw/zinc/29/94/07/669299407.db2.gz YYVPJQWMDFPUJQ-OFQRWUPVSA-N 1 3 313.442 0.898 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000882813854 669595896 /nfs/dbraw/zinc/59/58/96/669595896.db2.gz WXSLEODSRSVMLH-UHFFFAOYSA-N 1 3 318.421 0.884 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C[C@@H]3CO)CC2)CC1 ZINC000883248862 669664767 /nfs/dbraw/zinc/66/47/67/669664767.db2.gz JEEKZYIQXGHORS-MRXNPFEDSA-N 1 3 322.453 0.487 20 0 DCADHO CO[C@@H]1COCC[C@H]1N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000883461003 669692198 /nfs/dbraw/zinc/69/21/98/669692198.db2.gz LWZBRDFLDFHXRQ-VVLHAWIVSA-N 1 3 308.422 0.653 20 0 DCADHO COc1cnccc1N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000796576668 669935323 /nfs/dbraw/zinc/93/53/23/669935323.db2.gz VVMAGNOGFFOFRW-OAHLLOKOSA-N 1 3 320.437 0.669 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000948582670 670134592 /nfs/dbraw/zinc/13/45/92/670134592.db2.gz ROFNPTYSOXSKHV-LBPRGKRZSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000948582670 670134594 /nfs/dbraw/zinc/13/45/94/670134594.db2.gz ROFNPTYSOXSKHV-LBPRGKRZSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000811063856 670504599 /nfs/dbraw/zinc/50/45/99/670504599.db2.gz NUXXLOXOGXGBMU-GJZGRUSLSA-N 1 3 301.406 0.382 20 0 DCADHO C[N@H+]1CC[C@](O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000811063856 670504602 /nfs/dbraw/zinc/50/46/02/670504602.db2.gz NUXXLOXOGXGBMU-GJZGRUSLSA-N 1 3 301.406 0.382 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000811874667 670553630 /nfs/dbraw/zinc/55/36/30/670553630.db2.gz FFMWEJKOONKSIX-ZNMIVQPWSA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000811874667 670553636 /nfs/dbraw/zinc/55/36/36/670553636.db2.gz FFMWEJKOONKSIX-ZNMIVQPWSA-N 1 3 312.458 0.878 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000812333511 670575914 /nfs/dbraw/zinc/57/59/14/670575914.db2.gz IRBAEKRSMDKRKS-JKSUJKDBSA-N 1 3 308.470 0.424 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000812333511 670575916 /nfs/dbraw/zinc/57/59/16/670575916.db2.gz IRBAEKRSMDKRKS-JKSUJKDBSA-N 1 3 308.470 0.424 20 0 DCADHO C[C@@H](NC1CC[NH+](C)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813322551 670620182 /nfs/dbraw/zinc/62/01/82/670620182.db2.gz DWQQJAVDEXTSAW-SNVBAGLBSA-N 1 3 302.378 0.961 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(N(C)C)n1 ZINC000849015876 670749460 /nfs/dbraw/zinc/74/94/60/670749460.db2.gz QRKVOEMPWDJLMI-CYBMUJFWSA-N 1 3 305.430 0.641 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)N1CCCCC1 ZINC000817912370 670951979 /nfs/dbraw/zinc/95/19/79/670951979.db2.gz PIZBMCYYNSRCSR-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C[C@H](O)C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000819062204 671091048 /nfs/dbraw/zinc/09/10/48/671091048.db2.gz OPBWCTMDOAGBHT-IAGOWNOFSA-N 1 3 311.470 0.675 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000828283445 671549466 /nfs/dbraw/zinc/54/94/66/671549466.db2.gz HMOOTXMHWWQRAN-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000828668068 671558242 /nfs/dbraw/zinc/55/82/42/671558242.db2.gz YLFUOWVQKSUANX-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@H+](CC)C(C)C)C1 ZINC000830462758 671629417 /nfs/dbraw/zinc/62/94/17/671629417.db2.gz WQUPVLXEZNUTNR-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](CC)C(C)C)C1 ZINC000830462758 671629418 /nfs/dbraw/zinc/62/94/18/671629418.db2.gz WQUPVLXEZNUTNR-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1[nH]nc2c1CNCC2 ZINC000831881213 671689264 /nfs/dbraw/zinc/68/92/64/671689264.db2.gz RMQJJAFAVZBJNI-GFCCVEGCSA-N 1 3 321.425 0.238 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000841791236 671956307 /nfs/dbraw/zinc/95/63/07/671956307.db2.gz QKNYMPCAQOCXQG-ZIAGYGMSSA-N 1 3 310.442 0.810 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCCCC1 ZINC000842015416 671973931 /nfs/dbraw/zinc/97/39/31/671973931.db2.gz LAZBFYQCHFEIQH-ZFWWWQNUSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000842016377 671974680 /nfs/dbraw/zinc/97/46/80/671974680.db2.gz UXVIBFJJSFBODN-RDBSUJKOSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000842016475 671975105 /nfs/dbraw/zinc/97/51/05/671975105.db2.gz WDMCNSNKWAIXDR-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843490047 672103583 /nfs/dbraw/zinc/10/35/83/672103583.db2.gz WIBWGXUNQKTPNE-INIZCTEOSA-N 1 3 320.437 0.740 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844309195 672173005 /nfs/dbraw/zinc/17/30/05/672173005.db2.gz KDTOEVVEPHPJHN-INIZCTEOSA-N 1 3 324.469 0.927 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)cn1 ZINC001024901321 693844762 /nfs/dbraw/zinc/84/47/62/693844762.db2.gz STMWMYCLYPMRRB-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037847769 693955617 /nfs/dbraw/zinc/95/56/17/693955617.db2.gz BIXOMEGMQPCLBT-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000954405790 686010148 /nfs/dbraw/zinc/01/01/48/686010148.db2.gz GAHLXAANWWKYLL-BPLDGKMQSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000954405790 686010154 /nfs/dbraw/zinc/01/01/54/686010154.db2.gz GAHLXAANWWKYLL-BPLDGKMQSA-N 1 3 324.469 0.336 20 0 DCADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038535520 694109421 /nfs/dbraw/zinc/10/94/21/694109421.db2.gz KEEKDPVTPKFFQL-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038535520 694109422 /nfs/dbraw/zinc/10/94/22/694109422.db2.gz KEEKDPVTPKFFQL-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC000960086842 688296077 /nfs/dbraw/zinc/29/60/77/688296077.db2.gz LAHISVAPNUWPAI-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000960217974 688327360 /nfs/dbraw/zinc/32/73/60/688327360.db2.gz KLXOCLUZYKRMLD-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000960217974 688327366 /nfs/dbraw/zinc/32/73/66/688327366.db2.gz KLXOCLUZYKRMLD-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)C1 ZINC000961763436 688725734 /nfs/dbraw/zinc/72/57/34/688725734.db2.gz KXAVIXSYUCLMQM-LJIGWXMPSA-N 1 3 317.437 0.271 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)C1 ZINC000961763436 688725735 /nfs/dbraw/zinc/72/57/35/688725735.db2.gz KXAVIXSYUCLMQM-LJIGWXMPSA-N 1 3 317.437 0.271 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOC4CCC4)C[C@H]32)C1 ZINC000961787440 688734117 /nfs/dbraw/zinc/73/41/17/688734117.db2.gz KGRVXVKAHHXYEP-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)C1 ZINC000961787440 688734118 /nfs/dbraw/zinc/73/41/18/688734118.db2.gz KGRVXVKAHHXYEP-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962701786 688968063 /nfs/dbraw/zinc/96/80/63/688968063.db2.gz IXQSHUDXRKECES-MOENNCHZSA-N 1 3 309.439 0.474 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962701786 688968065 /nfs/dbraw/zinc/96/80/65/688968065.db2.gz IXQSHUDXRKECES-MOENNCHZSA-N 1 3 309.439 0.474 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3n[nH]c(C)n3)C2)CC[N@@H+]1C ZINC000968737986 690382031 /nfs/dbraw/zinc/38/20/31/690382031.db2.gz LPUOCHWOZAAQRX-HZSPNIEDSA-N 1 3 320.441 0.534 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3n[nH]c(C)n3)C2)CC[N@H+]1C ZINC000968737986 690382035 /nfs/dbraw/zinc/38/20/35/690382035.db2.gz LPUOCHWOZAAQRX-HZSPNIEDSA-N 1 3 320.441 0.534 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC000968907013 690420960 /nfs/dbraw/zinc/42/09/60/690420960.db2.gz BCLLKAPTIPGVTP-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000968924385 690426128 /nfs/dbraw/zinc/42/61/28/690426128.db2.gz FOQMNRGXRQHSRB-OAHLLOKOSA-N 1 3 319.453 0.903 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018835599 693255873 /nfs/dbraw/zinc/25/58/73/693255873.db2.gz KDPKIGOUDIOAIS-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018835599 693255878 /nfs/dbraw/zinc/25/58/78/693255878.db2.gz KDPKIGOUDIOAIS-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1)C1CC1 ZINC001018966100 693299967 /nfs/dbraw/zinc/29/99/67/693299967.db2.gz CBDSKHIBIYCZTM-HOCLYGCPSA-N 1 3 319.453 0.493 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1)C1CCC1 ZINC001018971742 693301545 /nfs/dbraw/zinc/30/15/45/693301545.db2.gz QHULRQUEHDMSKE-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1)C1CCC1 ZINC001018971676 693301664 /nfs/dbraw/zinc/30/16/64/693301664.db2.gz NLWUEKXMAMATJS-AWEZNQCLSA-N 1 3 305.426 0.558 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001018972661 693302460 /nfs/dbraw/zinc/30/24/60/693302460.db2.gz IBHBZPUWVFEERO-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1)C1CCC1 ZINC001018972711 693302754 /nfs/dbraw/zinc/30/27/54/693302754.db2.gz LCSYOCBDVSIKKZ-AWEZNQCLSA-N 1 3 319.453 0.637 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019169904 693376852 /nfs/dbraw/zinc/37/68/52/693376852.db2.gz PUGWADCNTWVTCS-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019169810 693376896 /nfs/dbraw/zinc/37/68/96/693376896.db2.gz MEBWRAIGUWGDOQ-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001019322895 693432445 /nfs/dbraw/zinc/43/24/45/693432445.db2.gz MZVMDERCFMOPJS-HNNXBMFYSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC001019325303 693433345 /nfs/dbraw/zinc/43/33/45/693433345.db2.gz UJDWKGFBZROYMR-FZMZJTMJSA-N 1 3 320.441 0.706 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1)C(N)=O ZINC001019593349 693534596 /nfs/dbraw/zinc/53/45/96/693534596.db2.gz VXNHPEGPZOQBIK-GJZGRUSLSA-N 1 3 324.469 0.561 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001019652695 693554406 /nfs/dbraw/zinc/55/44/06/693554406.db2.gz SSVZMGRMOYRYFW-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019652695 693554411 /nfs/dbraw/zinc/55/44/11/693554411.db2.gz SSVZMGRMOYRYFW-KGLIPLIRSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)[C@@H]2C)CC[N@@H+]1C ZINC001074658052 694915598 /nfs/dbraw/zinc/91/55/98/694915598.db2.gz WMPTWYCEWFOTKU-BARDWOONSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)[C@@H]2C)CC[N@H+]1C ZINC001074658052 694915599 /nfs/dbraw/zinc/91/55/99/694915599.db2.gz WMPTWYCEWFOTKU-BARDWOONSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001074832379 694925885 /nfs/dbraw/zinc/92/58/85/694925885.db2.gz JDLQGUPUKJYJOD-YTFOTSKYSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001074832379 694925886 /nfs/dbraw/zinc/92/58/86/694925886.db2.gz JDLQGUPUKJYJOD-YTFOTSKYSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)[C@@H]2C)C1 ZINC001074877994 694927976 /nfs/dbraw/zinc/92/79/76/694927976.db2.gz VRAYZMDZYGGEKY-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076083781 694997674 /nfs/dbraw/zinc/99/76/74/694997674.db2.gz QZJKGFUSFVIGHS-XHSDSOJGSA-N 1 3 307.438 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001076586858 695030208 /nfs/dbraw/zinc/03/02/08/695030208.db2.gz MDKAGDYVFGGRJS-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001076586858 695030209 /nfs/dbraw/zinc/03/02/09/695030209.db2.gz MDKAGDYVFGGRJS-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO Cn1cc(CC[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001267068403 1157682057 /nfs/dbraw/zinc/68/20/57/1157682057.db2.gz FZBSBQWCTIGSEW-MRXNPFEDSA-N 1 3 319.453 0.497 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+]CCCF)CC1)N(C)C ZINC001755152581 1157961141 /nfs/dbraw/zinc/96/11/41/1157961141.db2.gz IJVZFZSXKDWDOA-CQSZACIVSA-N 1 3 317.449 0.875 20 0 DCADHO CN(C)C1(C(=O)NC2CN(C(=O)CCCC[NH+](C)C)C2)CCC1 ZINC001745877484 1158166729 /nfs/dbraw/zinc/16/67/29/1158166729.db2.gz YCCPVTNIPHHHSH-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001648970700 1158209692 /nfs/dbraw/zinc/20/96/92/1158209692.db2.gz UJJYRFLTTVJCGC-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)C2CC[NH+](C(C)C)CC2)n[nH]1 ZINC001691538474 1158323512 /nfs/dbraw/zinc/32/35/12/1158323512.db2.gz SVPJDYSJNPSBMM-UHFFFAOYSA-N 1 3 322.457 0.782 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000339750870 1158856123 /nfs/dbraw/zinc/85/61/23/1158856123.db2.gz HZKFIESEWFGUJA-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001446418301 1159406996 /nfs/dbraw/zinc/40/69/96/1159406996.db2.gz LZRXLTSHFHVUCX-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001446481379 1159430465 /nfs/dbraw/zinc/43/04/65/1159430465.db2.gz WFDYKIOEGLBYQQ-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001446481379 1159430468 /nfs/dbraw/zinc/43/04/68/1159430468.db2.gz WFDYKIOEGLBYQQ-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCn2cncn2)CC1(C)C ZINC001447594692 1159667398 /nfs/dbraw/zinc/66/73/98/1159667398.db2.gz ZMJNOAQCSKIUHL-AWEZNQCLSA-N 1 3 322.457 0.447 20 0 DCADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCN(C)C1=O ZINC001566508359 1160029357 /nfs/dbraw/zinc/02/93/57/1160029357.db2.gz BEIUNYFSTOQPHN-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO Cn1cc(CC[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)cn1 ZINC001568146589 1160584263 /nfs/dbraw/zinc/58/42/63/1160584263.db2.gz MJGXWOHULKNRLN-OAHLLOKOSA-N 1 3 316.409 0.509 20 0 DCADHO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCN2C)nn1 ZINC001568611726 1160706558 /nfs/dbraw/zinc/70/65/58/1160706558.db2.gz GQWCXJOZCHJBBJ-JSGCOSHPSA-N 1 3 321.425 0.564 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001568791445 1160775189 /nfs/dbraw/zinc/77/51/89/1160775189.db2.gz JTCUSIKCGIARST-UHFFFAOYSA-N 1 3 305.426 0.454 20 0 DCADHO CN(CCC[NH2+]Cc1cncn1C)C(=O)CN(C)C1CCC1 ZINC001569209452 1160979768 /nfs/dbraw/zinc/97/97/68/1160979768.db2.gz DIWDQIKOQQSSRS-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001569237799 1160990866 /nfs/dbraw/zinc/99/08/66/1160990866.db2.gz UMQDGFKPWRQUIV-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CCn2cncn2)C1 ZINC001569691367 1161197360 /nfs/dbraw/zinc/19/73/60/1161197360.db2.gz YGQFCYNWGJZJRR-INIZCTEOSA-N 1 3 322.457 0.448 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCn2cccn2)C1 ZINC001569994012 1161374160 /nfs/dbraw/zinc/37/41/60/1161374160.db2.gz CDTABFLLWCHICQ-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCO)CC2)C1 ZINC001570045034 1161391922 /nfs/dbraw/zinc/39/19/22/1161391922.db2.gz WSVGOBDQJAOMAG-BZUAXINKSA-N 1 3 311.470 0.975 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCOCCO)CC1)N(C)C ZINC001570183709 1161483077 /nfs/dbraw/zinc/48/30/77/1161483077.db2.gz PQNXNJXDLOCHIS-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCOCCO)CC1)N(C)C ZINC001570183709 1161483091 /nfs/dbraw/zinc/48/30/91/1161483091.db2.gz PQNXNJXDLOCHIS-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CN1CCC(N(Cc2ccco2)C(=O)CN2CC[NH2+]CC2)CC1 ZINC001573883285 1163576829 /nfs/dbraw/zinc/57/68/29/1163576829.db2.gz SNIRFSCCKYJQJA-UHFFFAOYSA-N 1 3 320.437 0.608 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001575333275 1163979574 /nfs/dbraw/zinc/97/95/74/1163979574.db2.gz MNNCNJWLZJGETD-AWEZNQCLSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2c[nH]nn2)C1 ZINC001575384838 1163994663 /nfs/dbraw/zinc/99/46/63/1163994663.db2.gz FKXOUUAQUQOEMZ-HIFRSBDPSA-N 1 3 320.441 0.616 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2c[nH]nn2)C1 ZINC001575384838 1163994666 /nfs/dbraw/zinc/99/46/66/1163994666.db2.gz FKXOUUAQUQOEMZ-HIFRSBDPSA-N 1 3 320.441 0.616 20 0 DCADHO C[C@@H](CC(=O)N1CCN(CCN(C)C)C(=O)C1)[C@H]1CCC[NH2+]C1 ZINC001575920109 1164184934 /nfs/dbraw/zinc/18/49/34/1164184934.db2.gz CDRBAAWYTQNMMK-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001576646939 1164421795 /nfs/dbraw/zinc/42/17/95/1164421795.db2.gz BZGYPLHHSSBVNN-IIYDPXPESA-N 1 3 317.437 0.856 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001576651433 1164423947 /nfs/dbraw/zinc/42/39/47/1164423947.db2.gz ZNTOVJPRXGWCHG-MGPQQGTHSA-N 1 3 323.437 0.661 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)[C@H](C)CN1 ZINC001576772797 1164458940 /nfs/dbraw/zinc/45/89/40/1164458940.db2.gz RWNMTNRHEDTWQN-NFAWXSAZSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)[C@H](C)CN1 ZINC001576772797 1164458945 /nfs/dbraw/zinc/45/89/45/1164458945.db2.gz RWNMTNRHEDTWQN-NFAWXSAZSA-N 1 3 310.442 0.632 20 0 DCADHO CC[C@@H](C)N[C@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccco1 ZINC001577004551 1164579944 /nfs/dbraw/zinc/57/99/44/1164579944.db2.gz WQVCIDSEVHYGMR-VXGBXAGGSA-N 1 3 320.397 0.689 20 0 DCADHO CCCC1(CNCc2nnc3c(=O)[nH]ccn23)CC[NH2+]CC1 ZINC001577372039 1164679706 /nfs/dbraw/zinc/67/97/06/1164679706.db2.gz XXWSZWBFMDBDKJ-UHFFFAOYSA-N 1 3 304.398 0.677 20 0 DCADHO CCNC(=O)C1(CNCc2cnnn2[C@@H]2CCC[NH2+]C2)CCC1 ZINC001577785860 1164793139 /nfs/dbraw/zinc/79/31/39/1164793139.db2.gz VDSBFOALMXAKJQ-CYBMUJFWSA-N 1 3 320.441 0.599 20 0 DCADHO CCOCCCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001578107799 1164924125 /nfs/dbraw/zinc/92/41/25/1164924125.db2.gz KRZNPHKRASWNSX-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)NCc2cc(N)ccn2)CC1 ZINC001578410757 1165003170 /nfs/dbraw/zinc/00/31/70/1165003170.db2.gz KXXDTEMISOYEAX-UHFFFAOYSA-N 1 3 320.441 0.489 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001578413696 1165004281 /nfs/dbraw/zinc/00/42/81/1165004281.db2.gz UXKOJYFIMLLBRV-HNNXBMFYSA-N 1 3 305.422 0.347 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@@H]2[C@@H]3C[NH2+]CC[C@@H]32)ccc1=O ZINC001578419518 1165008739 /nfs/dbraw/zinc/00/87/39/1165008739.db2.gz VVJCLYCAODJRGI-GUTXKFCHSA-N 1 3 304.394 0.204 20 0 DCADHO CN(CCNC(=O)[C@@]1(F)C[NH2+]CC12COC2)Cc1ccccc1 ZINC001578473790 1165028535 /nfs/dbraw/zinc/02/85/35/1165028535.db2.gz QUVVQTKKPQIQJM-KRWDZBQOSA-N 1 3 321.396 0.563 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001578533406 1165049109 /nfs/dbraw/zinc/04/91/09/1165049109.db2.gz GCNSYBIJKGUDQJ-NVXWUHKLSA-N 1 3 323.485 0.537 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC001578644373 1165075843 /nfs/dbraw/zinc/07/58/43/1165075843.db2.gz HWAVAARWLXZQGI-RISCZKNCSA-N 1 3 309.410 0.912 20 0 DCADHO COC(=O)[C@@]1(CNC[C@@H](C[NH3+])Cc2cnn(C)c2C)CCOC1 ZINC001578781063 1165107858 /nfs/dbraw/zinc/10/78/58/1165107858.db2.gz MANMJJUWKMKXSO-CZUORRHYSA-N 1 3 324.425 0.015 20 0 DCADHO COC(=O)[C@@]1(C[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CCOC1 ZINC001578781063 1165107861 /nfs/dbraw/zinc/10/78/61/1165107861.db2.gz MANMJJUWKMKXSO-CZUORRHYSA-N 1 3 324.425 0.015 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC001578807159 1165122112 /nfs/dbraw/zinc/12/21/12/1165122112.db2.gz BAOHBJYVEJVWLD-CQSZACIVSA-N 1 3 313.442 0.991 20 0 DCADHO COCC[C@H]([NH3+])CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001579002270 1165185765 /nfs/dbraw/zinc/18/57/65/1165185765.db2.gz PHBKHDAXNCXOOU-AWEZNQCLSA-N 1 3 312.458 0.156 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC001579038369 1165192728 /nfs/dbraw/zinc/19/27/28/1165192728.db2.gz GMPPAQSCBBLTHD-CZUORRHYSA-N 1 3 310.442 0.620 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)NCC2(O)C[NH2+]C2)N(C)C)cc1 ZINC001579667896 1165373796 /nfs/dbraw/zinc/37/37/96/1165373796.db2.gz WTCBIEHBCNPWGQ-CQSZACIVSA-N 1 3 306.410 0.231 20 0 DCADHO NC(=O)[C@@H](F)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001580085240 1165496244 /nfs/dbraw/zinc/49/62/44/1165496244.db2.gz XCGBVESODRWFKM-KGLIPLIRSA-N 1 3 313.417 0.681 20 0 DCADHO NC(=O)[C@H](F)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001580085242 1165496600 /nfs/dbraw/zinc/49/66/00/1165496600.db2.gz XCGBVESODRWFKM-ZIAGYGMSSA-N 1 3 313.417 0.681 20 0 DCADHO [NH3+]C1(CCN2CCC(C(=O)NCCCO)CC2)CCOCC1 ZINC001580144348 1165517283 /nfs/dbraw/zinc/51/72/83/1165517283.db2.gz PKUBELPKCBZXGD-UHFFFAOYSA-N 1 3 313.442 0.095 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)[C@H]1C[NH2+]CCC12CCC2 ZINC001580651730 1165673868 /nfs/dbraw/zinc/67/38/68/1165673868.db2.gz FBJFCYUCNYILCY-HUUCEWRRSA-N 1 3 309.454 0.729 20 0 DCADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CCC[NH2+]CC1 ZINC001580661786 1165678744 /nfs/dbraw/zinc/67/87/44/1165678744.db2.gz UYOVYLLKVBRQCJ-HIFRSBDPSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001583560481 1166271297 /nfs/dbraw/zinc/27/12/97/1166271297.db2.gz IJDXVYMOWNAXLE-NNTXTVRGSA-N 1 3 310.442 0.211 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc[n+]([O-])cc3)CC2)CC1 ZINC000051464031 1171758002 /nfs/dbraw/zinc/75/80/02/1171758002.db2.gz CITRJXLKVDGDJJ-UHFFFAOYSA-N 1 3 318.421 0.608 20 0 DCADHO C[C@H](CC(N)=O)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001645611165 1172073992 /nfs/dbraw/zinc/07/39/92/1172073992.db2.gz HZSBISNZAANGMB-CQSZACIVSA-N 1 3 304.438 0.788 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001645847870 1172159967 /nfs/dbraw/zinc/15/99/67/1172159967.db2.gz RMHUJFUJISEWBW-HUUCEWRRSA-N 1 3 313.490 0.557 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)NCCN2CCC([NH3+])CC2)C1(C)C ZINC001646791913 1172535251 /nfs/dbraw/zinc/53/52/51/1172535251.db2.gz ZXSOWPSUAQAJME-BBRMVZONSA-N 1 3 312.458 0.058 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC001646814691 1172546243 /nfs/dbraw/zinc/54/62/43/1172546243.db2.gz JZPADTNNICMPKY-DOTOQJQBSA-N 1 3 308.470 0.744 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNCc2cnc3n2CCOC3)CC1 ZINC001647430963 1172889216 /nfs/dbraw/zinc/88/92/16/1172889216.db2.gz GVJBUQPQLDTAAM-UHFFFAOYSA-N 1 3 308.426 0.738 20 0 DCADHO CC1(C)CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@@H]1[NH3+] ZINC001647577441 1172979475 /nfs/dbraw/zinc/97/94/75/1172979475.db2.gz XFXPEGGLINPJQW-KGLIPLIRSA-N 1 3 310.442 0.618 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001647585149 1172984374 /nfs/dbraw/zinc/98/43/74/1172984374.db2.gz RPKLDWPWRFRFMR-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001647600991 1172994440 /nfs/dbraw/zinc/99/44/40/1172994440.db2.gz CMQKDCLQWKJSKC-GJZGRUSLSA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001647600991 1172994447 /nfs/dbraw/zinc/99/44/47/1172994447.db2.gz CMQKDCLQWKJSKC-GJZGRUSLSA-N 1 3 324.469 0.685 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001650173310 1173496933 /nfs/dbraw/zinc/49/69/33/1173496933.db2.gz OMELMKSBNDISAJ-VNHYZAJKSA-N 1 3 310.442 0.394 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@H](N)CCC(C)C)C2 ZINC001650383319 1173605818 /nfs/dbraw/zinc/60/58/18/1173605818.db2.gz GYEIKECCRVDJGE-VLXAULBPSA-N 1 3 311.426 0.489 20 0 DCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCOC ZINC001656494871 1173866449 /nfs/dbraw/zinc/86/64/49/1173866449.db2.gz AEKDDVDINWCGDP-TZMCWYRMSA-N 1 3 310.398 0.052 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001662685566 1174232222 /nfs/dbraw/zinc/23/22/22/1174232222.db2.gz LVNPAKVXSLTDHI-CVEARBPZSA-N 1 3 321.469 0.741 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCCCN2C)C1=O ZINC001670143680 1174985750 /nfs/dbraw/zinc/98/57/50/1174985750.db2.gz GOFQCDZWCTUMAN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCCNC(=O)C12CCC[NH+]1CCC2)[C@H]1CCCNC1=O ZINC001689813166 1177070959 /nfs/dbraw/zinc/07/09/59/1177070959.db2.gz FDMYIVKIONYAAF-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO C[NH+](C)CCC(=O)NCCCN(C1CC1)[C@H]1CCCNC1=O ZINC001690004404 1177138872 /nfs/dbraw/zinc/13/88/72/1177138872.db2.gz RPFXRZCSHDPUDT-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001690888969 1177342239 /nfs/dbraw/zinc/34/22/39/1177342239.db2.gz AEQOKXQRIQEQLX-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001690888969 1177342250 /nfs/dbraw/zinc/34/22/50/1177342250.db2.gz AEQOKXQRIQEQLX-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699181695 1177920343 /nfs/dbraw/zinc/92/03/43/1177920343.db2.gz MZRKQAHHKFANCO-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CCn2cccn2)CCC1 ZINC001699263089 1178005676 /nfs/dbraw/zinc/00/56/76/1178005676.db2.gz PLXTVPNXSKUPKZ-ONEGZZNKSA-N 1 3 305.426 0.629 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC/C=C/Cl)C1 ZINC001700042417 1178455820 /nfs/dbraw/zinc/45/58/20/1178455820.db2.gz QCUXMTBRBGPCKS-CXLRFSCWSA-N 1 3 303.834 0.491 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N(CCO)CCNC/C=C/Cl)C1 ZINC001700042417 1178455824 /nfs/dbraw/zinc/45/58/24/1178455824.db2.gz QCUXMTBRBGPCKS-CXLRFSCWSA-N 1 3 303.834 0.491 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001700064533 1178466358 /nfs/dbraw/zinc/46/63/58/1178466358.db2.gz DKSVFPFRPACMLV-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001703224655 1179404132 /nfs/dbraw/zinc/40/41/32/1179404132.db2.gz JQXVMHGXTVXWMF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001703224655 1179404141 /nfs/dbraw/zinc/40/41/41/1179404141.db2.gz JQXVMHGXTVXWMF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc3cnccn23)CC1 ZINC000156608767 1180557397 /nfs/dbraw/zinc/55/73/97/1180557397.db2.gz RPMHCYSZPWIJNQ-CQSZACIVSA-N 1 3 302.426 0.845 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001713666355 1181008398 /nfs/dbraw/zinc/00/83/98/1181008398.db2.gz OLIIFVYUDFCRKQ-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](O)C[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001714283803 1181306115 /nfs/dbraw/zinc/30/61/15/1181306115.db2.gz MDLJAHQKVSTJQH-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001714314076 1181317320 /nfs/dbraw/zinc/31/73/20/1181317320.db2.gz BOQSYIFDCSKXPV-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001714749237 1181523086 /nfs/dbraw/zinc/52/30/86/1181523086.db2.gz RREVUWQOBKLIBY-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001715859964 1182057745 /nfs/dbraw/zinc/05/77/45/1182057745.db2.gz DGNWZWAKTPTXBJ-PORBOJRQSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001715859964 1182057752 /nfs/dbraw/zinc/05/77/52/1182057752.db2.gz DGNWZWAKTPTXBJ-PORBOJRQSA-N 1 3 324.469 0.455 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001715910445 1182096974 /nfs/dbraw/zinc/09/69/74/1182096974.db2.gz DTYQOVVOKZCOLR-GWQWAINWSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001716146808 1182218772 /nfs/dbraw/zinc/21/87/72/1182218772.db2.gz ZNLQWLWTNZLQAG-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001716195610 1182244493 /nfs/dbraw/zinc/24/44/93/1182244493.db2.gz JZYLXJZYTPOGHD-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001716195610 1182244500 /nfs/dbraw/zinc/24/45/00/1182244500.db2.gz JZYLXJZYTPOGHD-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001716350354 1182351449 /nfs/dbraw/zinc/35/14/49/1182351449.db2.gz FZCZXQBNSRVBRR-BEVHLOIGSA-N 1 3 310.442 0.387 20 0 DCADHO C[C@H](C[NH2+]CCn1cccn1)NC(=O)CN(C)CC(C)(C)C ZINC001716412206 1182380215 /nfs/dbraw/zinc/38/02/15/1182380215.db2.gz COPHCCBWTQENIY-CQSZACIVSA-N 1 3 309.458 0.955 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001716767007 1182518203 /nfs/dbraw/zinc/51/82/03/1182518203.db2.gz GOLNKASWWGQASP-KBPBESRZSA-N 1 3 324.425 0.584 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001723052338 1184255487 /nfs/dbraw/zinc/25/54/87/1184255487.db2.gz OOSKHIKDYSTKSS-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001723176432 1184272672 /nfs/dbraw/zinc/27/26/72/1184272672.db2.gz OOSKHIKDYSTKSS-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001723205648 1184276221 /nfs/dbraw/zinc/27/62/21/1184276221.db2.gz ZYTLUEGCXYEUJS-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001724696616 1184525728 /nfs/dbraw/zinc/52/57/28/1184525728.db2.gz IGOWTXPSCIUZOF-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001724816624 1184571727 /nfs/dbraw/zinc/57/17/27/1184571727.db2.gz OVABWRYDZUQZBQ-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001725608470 1184911493 /nfs/dbraw/zinc/91/14/93/1184911493.db2.gz SOQGILXXUHECOG-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001731974471 1185618519 /nfs/dbraw/zinc/61/85/19/1185618519.db2.gz DAPDYHWIXFOFSE-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001731974471 1185618525 /nfs/dbraw/zinc/61/85/25/1185618525.db2.gz DAPDYHWIXFOFSE-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](O)CNCCF)C1 ZINC001732658633 1185902195 /nfs/dbraw/zinc/90/21/95/1185902195.db2.gz QTXYMKXHOSHJRZ-SMDDNHRTSA-N 1 3 307.385 0.235 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H](O)CNCCF)C1 ZINC001732658633 1185902198 /nfs/dbraw/zinc/90/21/98/1185902198.db2.gz QTXYMKXHOSHJRZ-SMDDNHRTSA-N 1 3 307.385 0.235 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001732908199 1186052774 /nfs/dbraw/zinc/05/27/74/1186052774.db2.gz JYVSEXOFXBXAOT-KXLSMFKISA-N 1 3 324.469 0.777 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C ZINC001732945009 1186073977 /nfs/dbraw/zinc/07/39/77/1186073977.db2.gz YVICUGIHLVTTSO-FHFZEBMASA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C ZINC001732945009 1186073983 /nfs/dbraw/zinc/07/39/83/1186073983.db2.gz YVICUGIHLVTTSO-FHFZEBMASA-N 1 3 324.469 0.600 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001753176616 1188522706 /nfs/dbraw/zinc/52/27/06/1188522706.db2.gz VWVBJIXKRXUNHS-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001753176615 1188522886 /nfs/dbraw/zinc/52/28/86/1188522886.db2.gz VWVBJIXKRXUNHS-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCn2cccn2)C1 ZINC001754907183 1188971004 /nfs/dbraw/zinc/97/10/04/1188971004.db2.gz CDTABFLLWCHICQ-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001755458323 1189117610 /nfs/dbraw/zinc/11/76/10/1189117610.db2.gz CIKSXCHAIPSJHL-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456475 1190408453 /nfs/dbraw/zinc/40/84/53/1190408453.db2.gz RJVVWDSILAYZPN-OCCSQVGLSA-N 1 3 311.386 0.472 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456475 1190408457 /nfs/dbraw/zinc/40/84/57/1190408457.db2.gz RJVVWDSILAYZPN-OCCSQVGLSA-N 1 3 311.386 0.472 20 0 DCADHO CC(C)N1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456475 1190408459 /nfs/dbraw/zinc/40/84/59/1190408459.db2.gz RJVVWDSILAYZPN-OCCSQVGLSA-N 1 3 311.386 0.472 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(O)CC3)CC2)CC1 ZINC001771595968 1190431369 /nfs/dbraw/zinc/43/13/69/1190431369.db2.gz DMNPFWRAEIGRRZ-UHFFFAOYSA-N 1 3 324.469 0.711 20 0 DCADHO CC1(C)CNCCN1C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001771739407 1190485769 /nfs/dbraw/zinc/48/57/69/1190485769.db2.gz PHPDHCXUQAAUMA-UHFFFAOYSA-N 1 3 304.438 0.658 20 0 DCADHO CC(=O)N1CCN(C(=O)CN2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC001771751114 1190489018 /nfs/dbraw/zinc/48/90/18/1190489018.db2.gz WAOHBOJILOJLQM-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@H]1CCS(=O)(=O)C1)CC2 ZINC001771930579 1190562515 /nfs/dbraw/zinc/56/25/15/1190562515.db2.gz KYNRYGOVVIEIHB-OLZOCXBDSA-N 1 3 302.440 0.251 20 0 DCADHO C[C@@H]1NCCn2c(C(=O)NCCN(C)CCC[NH+](C)C)ccc21 ZINC001772252065 1190644081 /nfs/dbraw/zinc/64/40/81/1190644081.db2.gz YJBQCWKIZHYQIA-AWEZNQCLSA-N 1 3 321.469 0.766 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001772262508 1190647235 /nfs/dbraw/zinc/64/72/35/1190647235.db2.gz FPFDTQMHGBDMGD-LZWOXQAQSA-N 1 3 306.410 0.580 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001772284181 1190653209 /nfs/dbraw/zinc/65/32/09/1190653209.db2.gz STKCVAAMMVOFTJ-GDBMZVCRSA-N 1 3 309.454 0.993 20 0 DCADHO OC[C@@]12C[NH2+]C[C@@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164409284 718854378 /nfs/dbraw/zinc/85/43/78/718854378.db2.gz UWMVBRNGWSFYGU-WBVHZDCISA-N 1 3 302.422 0.696 20 0 DCADHO CN(C)Cc1ccnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001164425323 718918103 /nfs/dbraw/zinc/91/81/03/718918103.db2.gz RRPMPJFTPNBZBK-KRWDZBQOSA-N 1 3 320.437 0.729 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC001107038962 751785154 /nfs/dbraw/zinc/78/51/54/751785154.db2.gz IVWZQBRDAOVDDO-GDBMZVCRSA-N 1 3 321.469 0.944 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779646 752065188 /nfs/dbraw/zinc/06/51/88/752065188.db2.gz PFYARSGZHUDFMQ-HZPDHXFCSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779646 752065191 /nfs/dbraw/zinc/06/51/91/752065191.db2.gz PFYARSGZHUDFMQ-HZPDHXFCSA-N 1 3 318.421 0.459 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001100405823 746942860 /nfs/dbraw/zinc/94/28/60/746942860.db2.gz ODKMQAUJJDAATF-UHFFFAOYSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001167224475 747025052 /nfs/dbraw/zinc/02/50/52/747025052.db2.gz KWVKVOIDCNUPSV-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001211286768 747191982 /nfs/dbraw/zinc/19/19/82/747191982.db2.gz WHRSVHHKHMDEQF-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001112009517 747811470 /nfs/dbraw/zinc/81/14/70/747811470.db2.gz HANBBKOTKSJYAW-VBQJREDUSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001112009517 747811480 /nfs/dbraw/zinc/81/14/80/747811480.db2.gz HANBBKOTKSJYAW-VBQJREDUSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001104641205 747816506 /nfs/dbraw/zinc/81/65/06/747816506.db2.gz FMUBVYNTMWSQRC-UMVBOHGHSA-N 1 3 312.458 0.132 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104676518 747826654 /nfs/dbraw/zinc/82/66/54/747826654.db2.gz NSVADMNLUIMKIR-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105264869 748092136 /nfs/dbraw/zinc/09/21/36/748092136.db2.gz RILSVGPZJDGHOE-HNNXBMFYSA-N 1 3 322.457 0.747 20 0 DCADHO C[NH+](C)CCC(=O)N1CC(n2cc(CNCC3CCC3)nn2)C1 ZINC001105320602 748130430 /nfs/dbraw/zinc/13/04/30/748130430.db2.gz CLYVFKNXKYADTO-UHFFFAOYSA-N 1 3 320.441 0.503 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1 ZINC001167814993 748367956 /nfs/dbraw/zinc/36/79/56/748367956.db2.gz LDUJERGEKQNMAO-AWEZNQCLSA-N 1 3 315.458 0.212 20 0 DCADHO COC(=O)c1cc(F)c(OC)nc1NC(=N)NCCCC[NH3+] ZINC001167879200 748458817 /nfs/dbraw/zinc/45/88/17/748458817.db2.gz IFTKTKHVFKKZNH-UHFFFAOYSA-N 1 3 313.333 0.691 20 0 DCADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046091 749206852 /nfs/dbraw/zinc/20/68/52/749206852.db2.gz BVIQNTDULAJAMW-PLQZLIEUSA-N 1 3 319.449 0.650 20 0 DCADHO CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046091 749206857 /nfs/dbraw/zinc/20/68/57/749206857.db2.gz BVIQNTDULAJAMW-PLQZLIEUSA-N 1 3 319.449 0.650 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001088316748 749365254 /nfs/dbraw/zinc/36/52/54/749365254.db2.gz IFXCSDPLCFSEPE-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001088316748 749365261 /nfs/dbraw/zinc/36/52/61/749365261.db2.gz IFXCSDPLCFSEPE-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001088317511 749365640 /nfs/dbraw/zinc/36/56/40/749365640.db2.gz FJVGBTURAUBGLZ-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001088317511 749365646 /nfs/dbraw/zinc/36/56/46/749365646.db2.gz FJVGBTURAUBGLZ-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112189912 749366461 /nfs/dbraw/zinc/36/64/61/749366461.db2.gz BUGOODKMJFXIRP-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112189912 749366465 /nfs/dbraw/zinc/36/64/65/749366465.db2.gz BUGOODKMJFXIRP-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001088327567 749370839 /nfs/dbraw/zinc/37/08/39/749370839.db2.gz QFVXFMGYDGBBQK-UKRRQHHQSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001088327566 749371060 /nfs/dbraw/zinc/37/10/60/749371060.db2.gz QFVXFMGYDGBBQK-HIFRSBDPSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCCCC[C@H](NCC(N)=O)C2)CC1 ZINC001088393563 749415453 /nfs/dbraw/zinc/41/54/53/749415453.db2.gz IPNBKSVNNLXVSY-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088414050 749427162 /nfs/dbraw/zinc/42/71/62/749427162.db2.gz VUDPWEISAZPTML-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H](NCC(N)=O)C2)C1 ZINC001088414050 749427158 /nfs/dbraw/zinc/42/71/58/749427158.db2.gz VUDPWEISAZPTML-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574544 749678777 /nfs/dbraw/zinc/67/87/77/749678777.db2.gz BFCHWHQWCIHKMA-MJBXVCDLSA-N 1 3 323.441 0.018 20 0 DCADHO CN1CC(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001142600882 750068892 /nfs/dbraw/zinc/06/88/92/750068892.db2.gz OVWRSEDWADEZFS-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077131898 750216480 /nfs/dbraw/zinc/21/64/80/750216480.db2.gz MFAYPFHYBWWQQW-BZUAXINKSA-N 1 3 309.454 0.821 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077131898 750216481 /nfs/dbraw/zinc/21/64/81/750216481.db2.gz MFAYPFHYBWWQQW-BZUAXINKSA-N 1 3 309.454 0.821 20 0 DCADHO CC1CC(CN2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001077299708 750333470 /nfs/dbraw/zinc/33/34/70/750333470.db2.gz OHVHYQFSJMGXPH-QDIHITRGSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(NCCN[C@H]1CCNC1=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357396 751196403 /nfs/dbraw/zinc/19/64/03/751196403.db2.gz WCOLYNQZJMQVOT-ZFWWWQNUSA-N 1 3 322.453 0.235 20 0 DCADHO O=C(NCCN[C@H]1CCNC1=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357396 751196406 /nfs/dbraw/zinc/19/64/06/751196406.db2.gz WCOLYNQZJMQVOT-ZFWWWQNUSA-N 1 3 322.453 0.235 20 0 DCADHO COCCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705213 751238529 /nfs/dbraw/zinc/23/85/29/751238529.db2.gz XAMYMUMKMDUDOG-ZIAGYGMSSA-N 1 3 324.425 0.299 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001106798835 751285280 /nfs/dbraw/zinc/28/52/80/751285280.db2.gz YVHQFPDYLKSETQ-RBSFLKMASA-N 1 3 324.469 0.276 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001114998801 752603169 /nfs/dbraw/zinc/60/31/69/752603169.db2.gz WJIUEFDYHCVMRU-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001114998801 752603174 /nfs/dbraw/zinc/60/31/74/752603174.db2.gz WJIUEFDYHCVMRU-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC ZINC001168606513 752677363 /nfs/dbraw/zinc/67/73/63/752677363.db2.gz GUNREWDECBTKMO-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C ZINC001045200661 753087513 /nfs/dbraw/zinc/08/75/13/753087513.db2.gz LAERVJLUNCRIEN-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCc2ccnn2C)C1 ZINC001045200180 753087909 /nfs/dbraw/zinc/08/79/09/753087909.db2.gz OLSPPRAXNQCVJR-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCc2ccnn2C)C1 ZINC001045200180 753087914 /nfs/dbraw/zinc/08/79/14/753087914.db2.gz OLSPPRAXNQCVJR-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@H](C1CC1)N(C)C ZINC001078200210 753101636 /nfs/dbraw/zinc/10/16/36/753101636.db2.gz OFMNXPBLHBZBMQ-WFASDCNBSA-N 1 3 312.458 0.289 20 0 DCADHO CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCCO1 ZINC001078432649 753239171 /nfs/dbraw/zinc/23/91/71/753239171.db2.gz GFGPTYZRGSIWKX-DGNOSDGRSA-N 1 3 323.437 0.077 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064339 753457270 /nfs/dbraw/zinc/45/72/70/753457270.db2.gz LHSZTQVHKYUDTN-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001046064339 753457273 /nfs/dbraw/zinc/45/72/73/753457273.db2.gz LHSZTQVHKYUDTN-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@]1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCN(CCO)C1 ZINC001046760333 753930397 /nfs/dbraw/zinc/93/03/97/753930397.db2.gz FNOSVNXPCJBTNC-QGZVFWFLSA-N 1 3 309.454 0.681 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001128786336 754288576 /nfs/dbraw/zinc/28/85/76/754288576.db2.gz VIVIOYREMJYUPJ-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001128786336 754288578 /nfs/dbraw/zinc/28/85/78/754288578.db2.gz VIVIOYREMJYUPJ-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO COC[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356274 754741779 /nfs/dbraw/zinc/74/17/79/754741779.db2.gz NTAOHNAMKYSXLW-KBXIAJHMSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829026 754965444 /nfs/dbraw/zinc/96/54/44/754965444.db2.gz HBRSAWGZLRIQOK-YYIAUSFCSA-N 1 3 321.465 0.896 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829026 754965447 /nfs/dbraw/zinc/96/54/47/754965447.db2.gz HBRSAWGZLRIQOK-YYIAUSFCSA-N 1 3 321.465 0.896 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001048875542 754991227 /nfs/dbraw/zinc/99/12/27/754991227.db2.gz BQISDNDHLLEDLY-XGUBFFRZSA-N 1 3 324.469 0.227 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001049067244 755100526 /nfs/dbraw/zinc/10/05/26/755100526.db2.gz TUFQAVRNKBEISX-WCVJEAGWSA-N 1 3 309.454 0.753 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001049067244 755100529 /nfs/dbraw/zinc/10/05/29/755100529.db2.gz TUFQAVRNKBEISX-WCVJEAGWSA-N 1 3 309.454 0.753 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001064366312 755388343 /nfs/dbraw/zinc/38/83/43/755388343.db2.gz BSBIDHRBFIDVJH-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001111456514 755903171 /nfs/dbraw/zinc/90/31/71/755903171.db2.gz HTQUSTUVLLEJEV-OAGGEKHMSA-N 1 3 309.454 0.966 20 0 DCADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080018484 756075170 /nfs/dbraw/zinc/07/51/70/756075170.db2.gz XRVXQEAKXVPWQS-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N(CC)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080018484 756075174 /nfs/dbraw/zinc/07/51/74/756075174.db2.gz XRVXQEAKXVPWQS-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001054296278 756426564 /nfs/dbraw/zinc/42/65/64/756426564.db2.gz KHKFPIKYNKJFRU-RDBSUJKOSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001054297848 756427898 /nfs/dbraw/zinc/42/78/98/756427898.db2.gz KHKFPIKYNKJFRU-HZSPNIEDSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001054298422 756427959 /nfs/dbraw/zinc/42/79/59/756427959.db2.gz KMDADEJEYZBWIZ-RDBSUJKOSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082223421 756974688 /nfs/dbraw/zinc/97/46/88/756974688.db2.gz VRLYIVCXOXYEEN-HUUCEWRRSA-N 1 3 323.441 0.284 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072481405 762512682 /nfs/dbraw/zinc/51/26/82/762512682.db2.gz QGQRUIVXYQQGCW-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCNCc2ncccn2)C1 ZINC001164538970 757098804 /nfs/dbraw/zinc/09/88/04/757098804.db2.gz QLUAFFBPYMBPTP-CQSZACIVSA-N 1 3 321.425 0.182 20 0 DCADHO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCCNCc2ncccn2)C1 ZINC001164538970 757098810 /nfs/dbraw/zinc/09/88/10/757098810.db2.gz QLUAFFBPYMBPTP-CQSZACIVSA-N 1 3 321.425 0.182 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1)[NH+](C)C ZINC001082724222 757245427 /nfs/dbraw/zinc/24/54/27/757245427.db2.gz QLEJPSABJVNCOS-FVQBIDKESA-N 1 3 321.469 0.943 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001050075460 757336480 /nfs/dbraw/zinc/33/64/80/757336480.db2.gz HEDKGKXUJIOPFP-LJISPDSOSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001050075460 757336490 /nfs/dbraw/zinc/33/64/90/757336490.db2.gz HEDKGKXUJIOPFP-LJISPDSOSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](CC[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001050223122 757505771 /nfs/dbraw/zinc/50/57/71/757505771.db2.gz NIJGNKXAYQVELP-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCn1cncn1)CC(C)(C)C ZINC001166744071 757908023 /nfs/dbraw/zinc/90/80/23/757908023.db2.gz GJLBXQORKYHJMR-UHFFFAOYSA-N 1 3 310.446 0.352 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050661814 757940586 /nfs/dbraw/zinc/94/05/86/757940586.db2.gz CTAMRPKYUZZJRU-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)N1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866525 759404507 /nfs/dbraw/zinc/40/45/07/759404507.db2.gz KWJPCBWXTJNDGD-OAHLLOKOSA-N 1 3 307.442 0.999 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)C23CC[NH+](CC2)C3)ccn1 ZINC001147971214 767889283 /nfs/dbraw/zinc/88/92/83/767889283.db2.gz WQLPZLHPDCAXBV-UHFFFAOYSA-N 1 3 317.437 0.449 20 0 DCADHO NC(=O)c1cccc(CNCCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001147977396 767891231 /nfs/dbraw/zinc/89/12/31/767891231.db2.gz QWWKZOMPQZJOSM-UHFFFAOYSA-N 1 3 316.405 0.087 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1=O ZINC001129327473 759826384 /nfs/dbraw/zinc/82/63/84/759826384.db2.gz ICDAJODFHWPFNZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1=O ZINC001129327473 759826394 /nfs/dbraw/zinc/82/63/94/759826394.db2.gz ICDAJODFHWPFNZ-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086364598 760106676 /nfs/dbraw/zinc/10/66/76/760106676.db2.gz KJRNIZQBYINGKG-SYQHCUMBSA-N 1 3 310.442 0.217 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@H](N([C@H]1CCC[NH2+]C1)S(C)(=O)=O)C2 ZINC001169152242 760597503 /nfs/dbraw/zinc/59/75/03/760597503.db2.gz ACWZPNKLCJNRSM-CRWXNKLISA-N 1 3 301.456 0.625 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)CCCC[NH+](C)C)C1=O ZINC001148365243 767973577 /nfs/dbraw/zinc/97/35/77/767973577.db2.gz MNYKOXOLFHNXMT-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCC[C@H](NCCNC(=O)CCCC[NH+](C)C)C(N)=O ZINC001148365664 767974472 /nfs/dbraw/zinc/97/44/72/767974472.db2.gz VTGVFHJJIMPADD-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365776 767974917 /nfs/dbraw/zinc/97/49/17/767974917.db2.gz ZMPGITGEIWVLCH-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CCC1 ZINC001129356756 761002285 /nfs/dbraw/zinc/00/22/85/761002285.db2.gz GZNRGNNJWJIEAW-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001100126234 761050148 /nfs/dbraw/zinc/05/01/48/761050148.db2.gz DPAOWLHWMNFUIN-CABCVRRESA-N 1 3 315.433 0.773 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1 ZINC001148643261 768023131 /nfs/dbraw/zinc/02/31/31/768023131.db2.gz WWCBCMZLPSMMLC-HNNXBMFYSA-N 1 3 315.458 0.620 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(CC)CC ZINC001148655869 768025039 /nfs/dbraw/zinc/02/50/39/768025039.db2.gz UEMHJVCLJBDDQS-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cncn1C ZINC001070659455 761380872 /nfs/dbraw/zinc/38/08/72/761380872.db2.gz NETVOVDKIGIHFT-MGPQQGTHSA-N 1 3 307.442 0.664 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cncn1C ZINC001070694958 761400643 /nfs/dbraw/zinc/40/06/43/761400643.db2.gz JLVXMHHFIVJJJL-ZIAGYGMSSA-N 1 3 316.409 0.680 20 0 DCADHO CN(CC(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001070889820 761489224 /nfs/dbraw/zinc/48/92/24/761489224.db2.gz JNLWZMJNCDKIDO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001112548454 761690529 /nfs/dbraw/zinc/69/05/29/761690529.db2.gz ABPIZHRFGCTRHT-ZQIUZPCESA-N 1 3 324.469 0.420 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001086551788 761824602 /nfs/dbraw/zinc/82/46/02/761824602.db2.gz LWIUIQLDUCNIBA-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001086551788 761824610 /nfs/dbraw/zinc/82/46/10/761824610.db2.gz LWIUIQLDUCNIBA-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129454121 762939735 /nfs/dbraw/zinc/93/97/35/762939735.db2.gz FOVKHXNGVSVBTF-OCCSQVGLSA-N 1 3 312.458 0.289 20 0 DCADHO COc1ccc(C[NH2+]CCNC(=O)CN(C)C2CCC2)cn1 ZINC001129526388 762952175 /nfs/dbraw/zinc/95/21/75/762952175.db2.gz FDNOEHRQMOGELM-UHFFFAOYSA-N 1 3 306.410 0.780 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN(C)C2CCC2)n1 ZINC001129531654 762953447 /nfs/dbraw/zinc/95/34/47/762953447.db2.gz DMDHOZSKFPUDCU-UHFFFAOYSA-N 1 3 309.414 0.501 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F)C1CCC1 ZINC001129531771 762953472 /nfs/dbraw/zinc/95/34/72/762953472.db2.gz JXCNZQIMULKNRC-GFCCVEGCSA-N 1 3 305.369 0.601 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129534851 762959934 /nfs/dbraw/zinc/95/99/34/762959934.db2.gz AGQFJHHAVKLULL-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949945 763055092 /nfs/dbraw/zinc/05/50/92/763055092.db2.gz KSEILLIIOVWXJX-STQMWFEESA-N 1 3 300.447 0.193 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949621 763055325 /nfs/dbraw/zinc/05/53/25/763055325.db2.gz GMNZLFYIKJIDTM-HNNXBMFYSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947130 763066168 /nfs/dbraw/zinc/06/61/68/763066168.db2.gz LBGBBPHZOUYGCZ-JSGCOSHPSA-N 1 3 300.447 0.193 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O)C1CCC1 ZINC001099879683 763094982 /nfs/dbraw/zinc/09/49/82/763094982.db2.gz OBTAFRVADFXUHO-JKSUJKDBSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1O)C1CCC1 ZINC001099879683 763094990 /nfs/dbraw/zinc/09/49/90/763094990.db2.gz OBTAFRVADFXUHO-JKSUJKDBSA-N 1 3 309.454 0.822 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001086983409 768110149 /nfs/dbraw/zinc/11/01/49/768110149.db2.gz NONDECSBXITIFU-XHSDSOJGSA-N 1 3 321.469 0.910 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cnn(C)c1 ZINC001086999508 768112980 /nfs/dbraw/zinc/11/29/80/768112980.db2.gz JLXIYTNUOAWKTH-LSDHHAIUSA-N 1 3 316.409 0.678 20 0 DCADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]Cc2cnnn2C)C1)C1CC1 ZINC001100407858 763557957 /nfs/dbraw/zinc/55/79/57/763557957.db2.gz MDCKINCQXBJCSP-HGMXIMQMSA-N 1 3 320.441 0.140 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011148 768182346 /nfs/dbraw/zinc/18/23/46/768182346.db2.gz QRKSTDVKGRUAFX-INMHGKMJSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011148 768182348 /nfs/dbraw/zinc/18/23/48/768182348.db2.gz QRKSTDVKGRUAFX-INMHGKMJSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131798931 764036787 /nfs/dbraw/zinc/03/67/87/764036787.db2.gz DYPRKCQCPYQEIY-UHFFFAOYSA-N 1 3 320.437 0.198 20 0 DCADHO C[N@H+](CCC(=O)NCCN[C@H]1CCCNC1=O)C1CCCCC1 ZINC001131815394 764052399 /nfs/dbraw/zinc/05/23/99/764052399.db2.gz BGKUNJSAQVJLLK-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO C[N@@H+](CCC(=O)NCCN[C@H]1CCCNC1=O)C1CCCCC1 ZINC001131815394 764052404 /nfs/dbraw/zinc/05/24/04/764052404.db2.gz BGKUNJSAQVJLLK-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)N(C1CC1)C1CCCC1 ZINC001133291186 764908414 /nfs/dbraw/zinc/90/84/14/764908414.db2.gz KVWBMDSPINEGLL-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346376 764936513 /nfs/dbraw/zinc/93/65/13/764936513.db2.gz MAYUWWOSZSWSTJ-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103084081 764938112 /nfs/dbraw/zinc/93/81/12/764938112.db2.gz XNXBLJBRZXMYQT-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103084081 764938114 /nfs/dbraw/zinc/93/81/14/764938114.db2.gz XNXBLJBRZXMYQT-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)NCC1CCC1)[NH+](C)C ZINC001133415748 764956200 /nfs/dbraw/zinc/95/62/00/764956200.db2.gz MRARMMADXJNGAW-OAHLLOKOSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C)[NH+](C)C ZINC001133434658 764967779 /nfs/dbraw/zinc/96/77/79/764967779.db2.gz XKJWUOBFENUOCC-QWHCGFSZSA-N 1 3 314.474 0.582 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684156 765082756 /nfs/dbraw/zinc/08/27/56/765082756.db2.gz DTFDDEBTGBVJKZ-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133819498 765149794 /nfs/dbraw/zinc/14/97/94/765149794.db2.gz DPTFRRUDHSRJKH-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133819498 765149797 /nfs/dbraw/zinc/14/97/97/765149797.db2.gz DPTFRRUDHSRJKH-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC001133819625 765149898 /nfs/dbraw/zinc/14/98/98/765149898.db2.gz JPGHTMSSLSHLRY-NVXWUHKLSA-N 1 3 319.449 0.780 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834420 765165062 /nfs/dbraw/zinc/16/50/62/765165062.db2.gz XGBDOUFBNBOHOF-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834420 765165065 /nfs/dbraw/zinc/16/50/65/765165065.db2.gz XGBDOUFBNBOHOF-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC001133851019 765170943 /nfs/dbraw/zinc/17/09/43/765170943.db2.gz UXVAOZDRHLCQFA-XJKSGUPXSA-N 1 3 323.412 0.907 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849615 765181857 /nfs/dbraw/zinc/18/18/57/765181857.db2.gz APOGCQOZVWVNPA-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849615 765181864 /nfs/dbraw/zinc/18/18/64/765181864.db2.gz APOGCQOZVWVNPA-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001133849857 765182458 /nfs/dbraw/zinc/18/24/58/765182458.db2.gz FVLNOXHQGMRRAF-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001133849857 765182460 /nfs/dbraw/zinc/18/24/60/765182460.db2.gz FVLNOXHQGMRRAF-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCC[C@H]([NH2+]CCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001133896325 765215158 /nfs/dbraw/zinc/21/51/58/765215158.db2.gz ISTHEDLRHTVBID-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001133896673 765215522 /nfs/dbraw/zinc/21/55/22/765215522.db2.gz NXDGBBSLEUMMPT-CQSZACIVSA-N 1 3 324.469 0.340 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001133965767 765258622 /nfs/dbraw/zinc/25/86/22/765258622.db2.gz JLKCYPOTYAOGJX-LBPRGKRZSA-N 1 3 301.822 0.583 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCC1)N(C)C ZINC001133968170 765260861 /nfs/dbraw/zinc/26/08/61/765260861.db2.gz QIWHGLFCXFPPIN-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001134774460 765666528 /nfs/dbraw/zinc/66/65/28/765666528.db2.gz YKKFCTFEXOOOFX-ZIAGYGMSSA-N 1 3 317.474 0.599 20 0 DCADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)N2CCCCC2)CC1 ZINC001134776436 765669654 /nfs/dbraw/zinc/66/96/54/765669654.db2.gz SRXQZYYPKKQFGK-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001115304944 765686841 /nfs/dbraw/zinc/68/68/41/765686841.db2.gz XNOIVJPTKRDQBC-QLPKVWCKSA-N 1 3 319.453 0.349 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001115304944 765686843 /nfs/dbraw/zinc/68/68/43/765686843.db2.gz XNOIVJPTKRDQBC-QLPKVWCKSA-N 1 3 319.453 0.349 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([N@H+](CCO)CCCF)CC1 ZINC001098488117 765831023 /nfs/dbraw/zinc/83/10/23/765831023.db2.gz GUXVGKJURIKBDB-UHFFFAOYSA-N 1 3 312.389 0.597 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([N@@H+](CCO)CCCF)CC1 ZINC001098488117 765831031 /nfs/dbraw/zinc/83/10/31/765831031.db2.gz GUXVGKJURIKBDB-UHFFFAOYSA-N 1 3 312.389 0.597 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCOCCO ZINC001135437432 765933992 /nfs/dbraw/zinc/93/39/92/765933992.db2.gz SYACBEDBEYSJLJ-UHFFFAOYSA-N 1 3 303.447 0.213 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COC ZINC001135437868 765934014 /nfs/dbraw/zinc/93/40/14/765934014.db2.gz ZCQBSWVXPISWBN-CQSZACIVSA-N 1 3 303.447 0.212 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1cnn(C)c1)C(C)C ZINC001135477720 765950099 /nfs/dbraw/zinc/95/00/99/765950099.db2.gz NWOFDIVVFNTMCX-OAHLLOKOSA-N 1 3 309.458 0.992 20 0 DCADHO C[C@H](C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)NCc1nccn1C ZINC001135937849 766176511 /nfs/dbraw/zinc/17/65/11/766176511.db2.gz ASBFTDMEGXRYAR-ZIAGYGMSSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC001118198271 766252459 /nfs/dbraw/zinc/25/24/59/766252459.db2.gz UGLGFBOKDDFTPL-WMLDXEAASA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(CCCF)C[C@H]2O)CC1 ZINC001090543453 766305646 /nfs/dbraw/zinc/30/56/46/766305646.db2.gz MSQUUFBDVYDBKE-UONOGXRCSA-N 1 3 301.406 0.239 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119417503 766668930 /nfs/dbraw/zinc/66/89/30/766668930.db2.gz CSNFMMCAIMXFJL-FRRDWIJNSA-N 1 3 310.442 0.077 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001120514088 767053171 /nfs/dbraw/zinc/05/31/71/767053171.db2.gz OPAXCPVNEFDTKP-RRFJBIMHSA-N 1 3 309.458 0.206 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC1 ZINC001146385060 767452174 /nfs/dbraw/zinc/45/21/74/767452174.db2.gz YDQVEBYDMVBIDM-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001146711118 767509586 /nfs/dbraw/zinc/50/95/86/767509586.db2.gz OUMAQZLCHJMCRL-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001146711118 767509588 /nfs/dbraw/zinc/50/95/88/767509588.db2.gz OUMAQZLCHJMCRL-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CN(CC(=O)NC1CC2(C1)CC([NH2+]CCO)C2)CC(C)(C)C ZINC001121791161 767636399 /nfs/dbraw/zinc/63/63/99/767636399.db2.gz JJWFPRSCEHXWKJ-UHFFFAOYSA-N 1 3 311.470 0.974 20 0 DCADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CNCC[NH3+])cc1 ZINC001121979206 767687446 /nfs/dbraw/zinc/68/74/46/767687446.db2.gz QRJAMJFEVJVGEZ-MRXNPFEDSA-N 1 3 320.437 0.497 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC001122248898 767751083 /nfs/dbraw/zinc/75/10/83/767751083.db2.gz NSMSBEMZLGJNBU-XJIRZWNVSA-N 1 3 322.453 0.232 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCN[C@H](C)C(N)=O ZINC001147449060 767756481 /nfs/dbraw/zinc/75/64/81/767756481.db2.gz GZIWJTUQJBWFFJ-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO O=C1CC[C@@H](CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)N1 ZINC001202830673 768416048 /nfs/dbraw/zinc/41/60/48/768416048.db2.gz DUFKKZYCIOYCGR-LZWOXQAQSA-N 1 3 300.406 0.724 20 0 DCADHO O=C1CC[C@@H](CN2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)N1 ZINC001202830673 768416051 /nfs/dbraw/zinc/41/60/51/768416051.db2.gz DUFKKZYCIOYCGR-LZWOXQAQSA-N 1 3 300.406 0.724 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN(CC)CC)CC1 ZINC001203004572 768513169 /nfs/dbraw/zinc/51/31/69/768513169.db2.gz AUNUWCOEXSVZIW-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149860994 768889042 /nfs/dbraw/zinc/88/90/42/768889042.db2.gz KSYPEFYMJFEFLV-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149860994 768889054 /nfs/dbraw/zinc/88/90/54/768889054.db2.gz KSYPEFYMJFEFLV-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CN(CCCO)CCCO1)[NH+](C)C ZINC001149880970 768897070 /nfs/dbraw/zinc/89/70/70/768897070.db2.gz ACMCPWAJBFRKCD-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO CO[C@H](C)C[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150777009 769185276 /nfs/dbraw/zinc/18/52/76/769185276.db2.gz BYTRWBHGJZIKAZ-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO CO[C@H](C)C[N@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150777009 769185278 /nfs/dbraw/zinc/18/52/78/769185278.db2.gz BYTRWBHGJZIKAZ-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001151049364 769245800 /nfs/dbraw/zinc/24/58/00/769245800.db2.gz MQYIPLHRLHFFES-AWEZNQCLSA-N 1 3 305.426 0.305 20 0 DCADHO CN(C)c1cc(CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001151049364 769245803 /nfs/dbraw/zinc/24/58/03/769245803.db2.gz MQYIPLHRLHFFES-AWEZNQCLSA-N 1 3 305.426 0.305 20 0 DCADHO C[NH+]1CCN(c2ccc(CN3CC[C@@H](F)[C@H](O)C3)cn2)CC1 ZINC001232361577 769308311 /nfs/dbraw/zinc/30/83/11/769308311.db2.gz ZOKXCMZXAOIHEU-HUUCEWRRSA-N 1 3 308.401 0.738 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001171762826 769369516 /nfs/dbraw/zinc/36/95/16/769369516.db2.gz MPVVKTYWDMCARL-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC001171769885 769373390 /nfs/dbraw/zinc/37/33/90/769373390.db2.gz GWMIWKCLXNXDJN-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO C[NH+](C)CCN1CCN([C@H]2CCN(C3CC3)C(=O)C2)CCC1=O ZINC001172026664 769417602 /nfs/dbraw/zinc/41/76/02/769417602.db2.gz QLYDMFAIUHZDMP-HNNXBMFYSA-N 1 3 322.453 0.236 20 0 DCADHO CCN1CC[C@@H](N2CCN(CC[NH+](CC)CC)CC2)CC1=O ZINC001172039343 769421844 /nfs/dbraw/zinc/42/18/44/769421844.db2.gz FMNSQYHXAVWEJK-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1nnc2cc[nH]cc1-2 ZINC001152106256 769483222 /nfs/dbraw/zinc/48/32/22/769483222.db2.gz IVXWSWQLGGAICC-UHFFFAOYSA-N 1 3 303.370 0.635 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001152138155 769490284 /nfs/dbraw/zinc/49/02/84/769490284.db2.gz STERDPFFCZNGBH-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C(=O)CNCCNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001152224419 769510996 /nfs/dbraw/zinc/51/09/96/769510996.db2.gz WTXKVJVYIVTBQT-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCCC[C@H](NCCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152347434 769533102 /nfs/dbraw/zinc/53/31/02/769533102.db2.gz FVZABUWWYVGALW-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC001152445887 769558864 /nfs/dbraw/zinc/55/88/64/769558864.db2.gz QKHIQXFMUZDSGA-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCc1nc(C)no1 ZINC001152452066 769561980 /nfs/dbraw/zinc/56/19/80/769561980.db2.gz ROGDMZAIYCNSSO-AWEZNQCLSA-N 1 3 323.441 0.891 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001152458405 769565333 /nfs/dbraw/zinc/56/53/33/769565333.db2.gz PMSBWAHZPYNIKV-CYBMUJFWSA-N 1 3 319.471 0.001 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1=O ZINC001152480342 769572444 /nfs/dbraw/zinc/57/24/44/769572444.db2.gz QZWYASKNCIDVLS-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO COCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345843 769630457 /nfs/dbraw/zinc/63/04/57/769630457.db2.gz LTFZDOJDMVQLNU-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)NCCN[C@@H]1CCCNC1=O ZINC001153314046 769781991 /nfs/dbraw/zinc/78/19/91/769781991.db2.gz BCJDYJRIXXPHJW-CQSZACIVSA-N 1 3 310.442 0.237 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854649 769963468 /nfs/dbraw/zinc/96/34/68/769963468.db2.gz NUNYBAWKHOISRR-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854649 769963477 /nfs/dbraw/zinc/96/34/77/769963477.db2.gz NUNYBAWKHOISRR-CQSZACIVSA-N 1 3 322.457 0.589 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(F)cc(CN(C)C)c1 ZINC001236201804 769984423 /nfs/dbraw/zinc/98/44/23/769984423.db2.gz PCCGDMDTLKTBCC-CABCVRRESA-N 1 3 309.385 0.962 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176072448 770012033 /nfs/dbraw/zinc/01/20/33/770012033.db2.gz UHVDIHOFQUGZKV-LBPRGKRZSA-N 1 3 307.398 0.033 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176072448 770012045 /nfs/dbraw/zinc/01/20/45/770012045.db2.gz UHVDIHOFQUGZKV-LBPRGKRZSA-N 1 3 307.398 0.033 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCC(=O)Nc2ccccc2)C1 ZINC001176072579 770012814 /nfs/dbraw/zinc/01/28/14/770012814.db2.gz YZZRMQXRPXRASF-CQSZACIVSA-N 1 3 318.421 0.673 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCC(=O)Nc2ccccc2)C1 ZINC001176072579 770012828 /nfs/dbraw/zinc/01/28/28/770012828.db2.gz YZZRMQXRPXRASF-CQSZACIVSA-N 1 3 318.421 0.673 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)[C@@H](C)CN2CCOCC2)no1 ZINC001176170534 770042900 /nfs/dbraw/zinc/04/29/00/770042900.db2.gz WYJCUXRQUAJGTG-ZDUSSCGKSA-N 1 3 324.425 0.547 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCNC1=O ZINC001176286931 770061282 /nfs/dbraw/zinc/06/12/82/770061282.db2.gz ZRVCESLBIQNKDX-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO NCCS(=O)(=O)NC1(c2ccccc2F)CC[NH2+]CC1 ZINC001238862290 770138194 /nfs/dbraw/zinc/13/81/94/770138194.db2.gz UMTYKAWPSBSCLJ-UHFFFAOYSA-N 1 3 301.387 0.283 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCNC1=O ZINC001176754648 770168860 /nfs/dbraw/zinc/16/88/60/770168860.db2.gz XMQNHPXUXXAXEX-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO NCCS(=O)(=O)N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001239154989 770195291 /nfs/dbraw/zinc/19/52/91/770195291.db2.gz BTUBNYALMQLBPD-HDJSIYSDSA-N 1 3 312.439 0.442 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986863 770273797 /nfs/dbraw/zinc/27/37/97/770273797.db2.gz XGQSDCQSLGRPDF-CQSZACIVSA-N 1 3 314.474 0.727 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001176986414 770273901 /nfs/dbraw/zinc/27/39/01/770273901.db2.gz NLEIVCRGCRHEBR-CQSZACIVSA-N 1 3 308.430 0.285 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986295 770274775 /nfs/dbraw/zinc/27/47/75/770274775.db2.gz JUAJGXMUGVLYGH-HNNXBMFYSA-N 1 3 322.457 0.768 20 0 DCADHO CN(C)C1(C(=O)NCCCCCC[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001178688537 770835620 /nfs/dbraw/zinc/83/56/20/770835620.db2.gz LOCLGXYUIJBBHP-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001178698536 770842223 /nfs/dbraw/zinc/84/22/23/770842223.db2.gz KPPOYUCAWYGPLO-OAHLLOKOSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)C)[C@@H]1C ZINC001179856502 771026547 /nfs/dbraw/zinc/02/65/47/771026547.db2.gz CJAWLVBTZFRORZ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(C)C)[C@@H]1C ZINC001179856502 771026553 /nfs/dbraw/zinc/02/65/53/771026553.db2.gz CJAWLVBTZFRORZ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001179856906 771026926 /nfs/dbraw/zinc/02/69/26/771026926.db2.gz MUUOQZHECKDAQS-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cnn(C)c2)[C@@H]1C ZINC001179856906 771026931 /nfs/dbraw/zinc/02/69/31/771026931.db2.gz MUUOQZHECKDAQS-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001179983084 771044136 /nfs/dbraw/zinc/04/41/36/771044136.db2.gz KOFTXDLSLVVUEM-KBPBESRZSA-N 1 3 308.430 0.199 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+][C@H](CC)C(N)=O ZINC001180123267 771065184 /nfs/dbraw/zinc/06/51/84/771065184.db2.gz DLQAIPGZTLKHEW-CQSZACIVSA-N 1 3 314.474 0.858 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O ZINC001180123216 771065715 /nfs/dbraw/zinc/06/57/15/771065715.db2.gz BDQVSZQCDCZVML-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180222589 771076470 /nfs/dbraw/zinc/07/64/70/771076470.db2.gz QCWHXZLEEHKZIF-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCc2ccc3c(c2)OCCO3)C1 ZINC001151049467 771318849 /nfs/dbraw/zinc/31/88/49/771318849.db2.gz PRYIGALKMBUFCW-CQSZACIVSA-N 1 3 319.405 0.615 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCc2ccc3c(c2)OCCO3)C1 ZINC001151049467 771318854 /nfs/dbraw/zinc/31/88/54/771318854.db2.gz PRYIGALKMBUFCW-CQSZACIVSA-N 1 3 319.405 0.615 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001181651656 771325733 /nfs/dbraw/zinc/32/57/33/771325733.db2.gz DDVQOFSPBHIYCA-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001181652868 771326881 /nfs/dbraw/zinc/32/68/81/771326881.db2.gz REBPUCWKSCISGL-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C(C)(C)CC(=O)OC ZINC001182612658 771522440 /nfs/dbraw/zinc/52/24/40/771522440.db2.gz ODWDCATUVVDHIL-UHFFFAOYSA-N 1 3 300.403 0.640 20 0 DCADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001157413292 771604256 /nfs/dbraw/zinc/60/42/56/771604256.db2.gz BBWVSTQBDPYGEF-RCDICMHDSA-N 1 3 324.450 0.567 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001183267291 771631046 /nfs/dbraw/zinc/63/10/46/771631046.db2.gz MDYLHNQFXYKKER-HUUCEWRRSA-N 1 3 313.442 0.180 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288467 771632184 /nfs/dbraw/zinc/63/21/84/771632184.db2.gz JIBBLWSCHHBTLU-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001157579868 771636470 /nfs/dbraw/zinc/63/64/70/771636470.db2.gz RKCLWJIBNQJYDA-FUHWJXTLSA-N 1 3 320.481 0.662 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183391401 771643243 /nfs/dbraw/zinc/64/32/43/771643243.db2.gz RBPSZLVYAXQKAC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183391401 771643245 /nfs/dbraw/zinc/64/32/45/771643245.db2.gz RBPSZLVYAXQKAC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157739787 771661589 /nfs/dbraw/zinc/66/15/89/771661589.db2.gz JOTVPIGFPKUOIH-WFASDCNBSA-N 1 3 316.421 0.156 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCO ZINC001158030311 771715939 /nfs/dbraw/zinc/71/59/39/771715939.db2.gz VHNRFFAGZCJGFX-CABCVRRESA-N 1 3 317.449 0.972 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCO ZINC001158030311 771715942 /nfs/dbraw/zinc/71/59/42/771715942.db2.gz VHNRFFAGZCJGFX-CABCVRRESA-N 1 3 317.449 0.972 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)ncn1 ZINC001158196046 771738423 /nfs/dbraw/zinc/73/84/23/771738423.db2.gz ILBCLKQDIHJWCJ-INIZCTEOSA-N 1 3 317.437 0.723 20 0 DCADHO CN1CCN(c2ccncc2C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001158225959 771742787 /nfs/dbraw/zinc/74/27/87/771742787.db2.gz YSROLAHYWAEDBO-GOEBONIOSA-N 1 3 315.421 0.410 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421953 771772128 /nfs/dbraw/zinc/77/21/28/771772128.db2.gz GWWZQPVZKWMTJT-OWCLPIDISA-N 1 3 303.406 0.754 20 0 DCADHO [NH3+]C1([C@H]2CN(C(=O)c3ccc4c(n3)CCNC4)C[C@H]2CF)CC1 ZINC001158584150 771792664 /nfs/dbraw/zinc/79/26/64/771792664.db2.gz YYKQDBKWKGCEPV-OLZOCXBDSA-N 1 3 318.396 0.876 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184578673 771801654 /nfs/dbraw/zinc/80/16/54/771801654.db2.gz VOUVMZDBOYAZKN-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(N)=O ZINC001184628607 771808177 /nfs/dbraw/zinc/80/81/77/771808177.db2.gz MLUKSGHDAQWEMR-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)CC[C@H]2O1 ZINC001158855829 771827406 /nfs/dbraw/zinc/82/74/06/771827406.db2.gz JWGGHHYPRKPMGV-ZQDZILKHSA-N 1 3 307.438 0.887 20 0 DCADHO C[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)CC[C@H]2O1 ZINC001158855829 771827407 /nfs/dbraw/zinc/82/74/07/771827407.db2.gz JWGGHHYPRKPMGV-ZQDZILKHSA-N 1 3 307.438 0.887 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184800251 771828895 /nfs/dbraw/zinc/82/88/95/771828895.db2.gz RTIFPWZKYUVGMD-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC2CCC2)C1 ZINC001159132593 771864326 /nfs/dbraw/zinc/86/43/26/771864326.db2.gz BGYMWEMNLYBSCQ-GJZGRUSLSA-N 1 3 319.453 0.921 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185158240 771870863 /nfs/dbraw/zinc/87/08/63/771870863.db2.gz QGAMGJRNMPGFCA-RFQIPJPRSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158240 771870871 /nfs/dbraw/zinc/87/08/71/771870871.db2.gz QGAMGJRNMPGFCA-RFQIPJPRSA-N 1 3 310.442 0.042 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159226436 771880055 /nfs/dbraw/zinc/88/00/55/771880055.db2.gz ZPDFCJOMDUXTAI-RDBSUJKOSA-N 1 3 308.426 0.055 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291413 771891095 /nfs/dbraw/zinc/89/10/95/771891095.db2.gz OQHDTXXFSDEFST-AWEZNQCLSA-N 1 3 303.410 0.224 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291413 771891099 /nfs/dbraw/zinc/89/10/99/771891099.db2.gz OQHDTXXFSDEFST-AWEZNQCLSA-N 1 3 303.410 0.224 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291627 771891221 /nfs/dbraw/zinc/89/12/21/771891221.db2.gz RKEFXFVSMKBMKW-HNNXBMFYSA-N 1 3 317.437 0.234 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291627 771891223 /nfs/dbraw/zinc/89/12/23/771891223.db2.gz RKEFXFVSMKBMKW-HNNXBMFYSA-N 1 3 317.437 0.234 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185651354 771940170 /nfs/dbraw/zinc/94/01/70/771940170.db2.gz YVXQJWAITFXMSS-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185651354 771940172 /nfs/dbraw/zinc/94/01/72/771940172.db2.gz YVXQJWAITFXMSS-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664516 771940706 /nfs/dbraw/zinc/94/07/06/771940706.db2.gz FQYCHABBHALMPT-VHDGCEQUSA-N 1 3 304.394 0.231 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001185659000 771940769 /nfs/dbraw/zinc/94/07/69/771940769.db2.gz BDDMRBCBNJESKJ-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001185659000 771940772 /nfs/dbraw/zinc/94/07/72/771940772.db2.gz BDDMRBCBNJESKJ-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO NC(=O)c1cc(Cl)ncc1C(F)(F)N[C@@H](N)CCC[NH3+] ZINC001159787394 771958206 /nfs/dbraw/zinc/95/82/06/771958206.db2.gz WGFXDJGQTZSYJI-SECBINFHSA-N 1 3 307.732 0.497 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)C2(N(C)C)CCC2)n1 ZINC001159854608 771968285 /nfs/dbraw/zinc/96/82/85/771968285.db2.gz OWFOXVCIUMPFRV-UHFFFAOYSA-N 1 3 323.441 0.891 20 0 DCADHO CO[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CCC1 ZINC001185925252 771977016 /nfs/dbraw/zinc/97/70/16/771977016.db2.gz KZSFFCLQCPAKDJ-HIFRSBDPSA-N 1 3 306.410 0.958 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001185925225 771977142 /nfs/dbraw/zinc/97/71/42/771977142.db2.gz KNSSTXCFKWTRDT-UKRRQHHQSA-N 1 3 322.409 0.338 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C1CC1 ZINC001159931427 771978908 /nfs/dbraw/zinc/97/89/08/771978908.db2.gz CKXYXLBIAZBNEH-WBMJQRKESA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCN1CCCC1=O)C1CC1 ZINC001159932823 771979980 /nfs/dbraw/zinc/97/99/80/771979980.db2.gz VXDCMWQBVDXRPN-MRXNPFEDSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274739 772017452 /nfs/dbraw/zinc/01/74/52/772017452.db2.gz WLSAAKBECLMVOI-ZDUSSCGKSA-N 1 3 308.430 0.285 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274739 772017457 /nfs/dbraw/zinc/01/74/57/772017457.db2.gz WLSAAKBECLMVOI-ZDUSSCGKSA-N 1 3 308.430 0.285 20 0 DCADHO CN(C)C1(C(=O)NCCC2=CC[N@H+](CCCO)CC2)CCC1 ZINC001160360740 772028130 /nfs/dbraw/zinc/02/81/30/772028130.db2.gz WEQBABNEVMUSIV-UHFFFAOYSA-N 1 3 309.454 0.992 20 0 DCADHO CN(C)C1(C(=O)NCCC2=CC[N@@H+](CCCO)CC2)CCC1 ZINC001160360740 772028137 /nfs/dbraw/zinc/02/81/37/772028137.db2.gz WEQBABNEVMUSIV-UHFFFAOYSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421386 772035322 /nfs/dbraw/zinc/03/53/22/772035322.db2.gz PRKMWSYHNPQVRF-HNNXBMFYSA-N 1 3 309.458 0.911 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001186452127 772042349 /nfs/dbraw/zinc/04/23/49/772042349.db2.gz KVTCZPCRFZRMKX-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160581567 772070425 /nfs/dbraw/zinc/07/04/25/772070425.db2.gz GUMBBUBTKTWVEB-KBPBESRZSA-N 1 3 323.437 0.805 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160581567 772070430 /nfs/dbraw/zinc/07/04/30/772070430.db2.gz GUMBBUBTKTWVEB-KBPBESRZSA-N 1 3 323.437 0.805 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160581573 772070991 /nfs/dbraw/zinc/07/09/91/772070991.db2.gz GUMBBUBTKTWVEB-UONOGXRCSA-N 1 3 323.437 0.805 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160581573 772070997 /nfs/dbraw/zinc/07/09/97/772070997.db2.gz GUMBBUBTKTWVEB-UONOGXRCSA-N 1 3 323.437 0.805 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160635395 772081314 /nfs/dbraw/zinc/08/13/14/772081314.db2.gz ABGXUHYWAWNFSB-GJZGRUSLSA-N 1 3 322.457 0.937 20 0 DCADHO CCN(CC(=O)OC(C)(C)C)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160679775 772093271 /nfs/dbraw/zinc/09/32/71/772093271.db2.gz GBNJIHLPVASHBD-MLGOLLRUSA-N 1 3 311.426 0.376 20 0 DCADHO N[C@@H](CC(F)F)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160781639 772110935 /nfs/dbraw/zinc/11/09/35/772110935.db2.gz UHJSDPGDHIFPJP-WWGRRREGSA-N 1 3 309.360 0.969 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160787546 772111695 /nfs/dbraw/zinc/11/16/95/772111695.db2.gz KXEJDVXXYLHCIN-QWRGUYRKSA-N 1 3 305.419 0.125 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001160838570 772119670 /nfs/dbraw/zinc/11/96/70/772119670.db2.gz KBGASACFOBFDCN-SJORKVTESA-N 1 3 317.433 0.518 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC)C12CCC2 ZINC001203651861 772122299 /nfs/dbraw/zinc/12/22/99/772122299.db2.gz QEXJDVJZBGHEBL-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001160876344 772130799 /nfs/dbraw/zinc/13/07/99/772130799.db2.gz VXBRZACQVNUQQC-HOTGVXAUSA-N 1 3 315.417 0.266 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187107163 772131723 /nfs/dbraw/zinc/13/17/23/772131723.db2.gz WFULSHITJZZUII-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187107163 772131726 /nfs/dbraw/zinc/13/17/26/772131726.db2.gz WFULSHITJZZUII-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001160883284 772132277 /nfs/dbraw/zinc/13/22/77/772132277.db2.gz KAGGZIQJVJZXOO-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN[C@H](C(=O)N1C[C@H]([NH3+])CC(F)(F)C1)[C@@H](C)OC(C)(C)C ZINC001160971607 772144963 /nfs/dbraw/zinc/14/49/63/772144963.db2.gz KGOJCUSXRZEMDM-MXWKQRLJSA-N 1 3 307.385 0.973 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971682 772145073 /nfs/dbraw/zinc/14/50/73/772145073.db2.gz LSOXOWFGMJTIAR-VHSXEESVSA-N 1 3 321.368 0.631 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H]1CCNC[C@H]1F ZINC001161158112 772178119 /nfs/dbraw/zinc/17/81/19/772178119.db2.gz PQHHJFIAIYVDTA-VXGBXAGGSA-N 1 3 303.378 0.065 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203661371 772180603 /nfs/dbraw/zinc/18/06/03/772180603.db2.gz UEUPQFOTHRGULW-ZIAGYGMSSA-N 1 3 306.410 0.660 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001161315303 772203241 /nfs/dbraw/zinc/20/32/41/772203241.db2.gz ATYKLTUCBFMCPX-CQSZACIVSA-N 1 3 322.453 0.304 20 0 DCADHO N[C@@H](CC1CCCC1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380287 772214022 /nfs/dbraw/zinc/21/40/22/772214022.db2.gz SUPBHKZWPUTAER-HOTGVXAUSA-N 1 3 308.470 0.918 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001187818964 772229127 /nfs/dbraw/zinc/22/91/27/772229127.db2.gz VQHXJYKUYGEPGB-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001187818964 772229130 /nfs/dbraw/zinc/22/91/30/772229130.db2.gz VQHXJYKUYGEPGB-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835576 772231929 /nfs/dbraw/zinc/23/19/29/772231929.db2.gz YSAKZSLRPRNXAU-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835394 772232169 /nfs/dbraw/zinc/23/21/69/772232169.db2.gz WGVGLXZHQJNTOP-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(NCCC[NH2+]CC1CCC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872586 772428257 /nfs/dbraw/zinc/42/82/57/772428257.db2.gz XGXWVRUQQHCEDJ-CKDBGZEDSA-N 1 3 307.438 0.746 20 0 DCADHO O=C(Cc1c[nH]cn1)N(CC[NH2+]CCO)CCc1ccccc1 ZINC001162946987 772434578 /nfs/dbraw/zinc/43/45/78/772434578.db2.gz VZKFWUASXBJHTH-UHFFFAOYSA-N 1 3 316.405 0.605 20 0 DCADHO CN(C)Cc1cccc(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001162974358 772438089 /nfs/dbraw/zinc/43/80/89/772438089.db2.gz YYPBBZJZDQIBCJ-UHFFFAOYSA-N 1 3 301.398 0.840 20 0 DCADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163821800 772578378 /nfs/dbraw/zinc/57/83/78/772578378.db2.gz QFPKFXGZIRVRBT-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CN(c1ccc2c(c1)C1(CC2)CC[NH2+]CC1)S(=O)(=O)CCN ZINC001164296595 772640014 /nfs/dbraw/zinc/64/00/14/772640014.db2.gz GJGHPTBFYVQVCN-UHFFFAOYSA-N 1 3 323.462 0.979 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645360 772656736 /nfs/dbraw/zinc/65/67/36/772656736.db2.gz SIPPCPJMDRJJQB-KGLIPLIRSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645360 772656738 /nfs/dbraw/zinc/65/67/38/772656738.db2.gz SIPPCPJMDRJJQB-KGLIPLIRSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645359 772657016 /nfs/dbraw/zinc/65/70/16/772657016.db2.gz SIPPCPJMDRJJQB-KBPBESRZSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645359 772657018 /nfs/dbraw/zinc/65/70/18/772657018.db2.gz SIPPCPJMDRJJQB-KBPBESRZSA-N 1 3 313.442 0.011 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCNCc2cnnn2C)CC[N@@H+]1C ZINC001164574190 772682606 /nfs/dbraw/zinc/68/26/06/772682606.db2.gz ATTRSEBSZAANEQ-STQMWFEESA-N 1 3 308.430 0.141 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCNCc2cnnn2C)CC[N@H+]1C ZINC001164574190 772682609 /nfs/dbraw/zinc/68/26/09/772682609.db2.gz ATTRSEBSZAANEQ-STQMWFEESA-N 1 3 308.430 0.141 20 0 DCADHO CS(=O)(=O)N(c1ccc(C[NH+]2CCCC2)cn1)C1CNC1 ZINC001165126036 772698856 /nfs/dbraw/zinc/69/88/56/772698856.db2.gz GQHPNVFMRSGCFM-UHFFFAOYSA-N 1 3 310.423 0.415 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165464464 772740622 /nfs/dbraw/zinc/74/06/22/772740622.db2.gz DVXAGWXJCCFACN-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1ccccc1F ZINC001165801618 772764263 /nfs/dbraw/zinc/76/42/63/772764263.db2.gz ZYFDXFZYBOOSRC-UHFFFAOYSA-N 1 3 324.400 0.812 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004074 772777928 /nfs/dbraw/zinc/77/79/28/772777928.db2.gz FERFBJCBGWODOU-CQSZACIVSA-N 1 3 300.447 0.195 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166627619 772831092 /nfs/dbraw/zinc/83/10/92/772831092.db2.gz XPTAQRDYTYDNSB-AWEZNQCLSA-N 1 3 319.453 0.910 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166627619 772831093 /nfs/dbraw/zinc/83/10/93/772831093.db2.gz XPTAQRDYTYDNSB-AWEZNQCLSA-N 1 3 319.453 0.910 20 0 DCADHO Cc1nnsc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677948 772839290 /nfs/dbraw/zinc/83/92/90/772839290.db2.gz QYPVUZCOXXYLQW-NSHDSACASA-N 1 3 311.455 0.784 20 0 DCADHO C[C@H](O)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687026 772840472 /nfs/dbraw/zinc/84/04/72/772840472.db2.gz HHSPEHOUCILZOX-WFASDCNBSA-N 1 3 303.422 0.676 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001166759287 772857110 /nfs/dbraw/zinc/85/71/10/772857110.db2.gz PXKRIDRIEFTSIM-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030820 772860520 /nfs/dbraw/zinc/86/05/20/772860520.db2.gz WDFHLGOEPGUFEH-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCCN1CCCC1=O)N(C)C ZINC001166851891 772870597 /nfs/dbraw/zinc/87/05/97/772870597.db2.gz KBKGRJASHCRZKT-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCNC(=O)NC(C)C)N(C)C ZINC001166866828 772872578 /nfs/dbraw/zinc/87/25/78/772872578.db2.gz VXKIJZQPCGEQKN-ZDUSSCGKSA-N 1 3 315.462 0.130 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001192343737 772907153 /nfs/dbraw/zinc/90/71/53/772907153.db2.gz QJEFWEPLCIYVIW-LSDHHAIUSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001192343737 772907156 /nfs/dbraw/zinc/90/71/56/772907156.db2.gz QJEFWEPLCIYVIW-LSDHHAIUSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001192343736 772907780 /nfs/dbraw/zinc/90/77/80/772907780.db2.gz QJEFWEPLCIYVIW-HUUCEWRRSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001192343736 772907783 /nfs/dbraw/zinc/90/77/83/772907783.db2.gz QJEFWEPLCIYVIW-HUUCEWRRSA-N 1 3 313.442 0.012 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204799539 772963063 /nfs/dbraw/zinc/96/30/63/772963063.db2.gz ZVHHYFZMZMULIA-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCN(c2cccc(CN3CC[C@@H]([NH3+])[C@H](O)C3)c2)CC1 ZINC001205973100 773037275 /nfs/dbraw/zinc/03/72/75/773037275.db2.gz GJSYOEQRMMEXGX-IAGOWNOFSA-N 1 3 304.438 0.332 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207684444 773269185 /nfs/dbraw/zinc/26/91/85/773269185.db2.gz OEWIVTXNSQARRO-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001208410841 773454516 /nfs/dbraw/zinc/45/45/16/773454516.db2.gz GFHXFHBBFLOYEV-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H]1O ZINC001195860298 773486404 /nfs/dbraw/zinc/48/64/04/773486404.db2.gz UYUFSPCSDUHLEW-IXDOHACOSA-N 1 3 317.433 0.787 20 0 DCADHO C[NH+](C)C1(CC(=O)N2CCC[C@@H](NCC(N)=O)C2)CCCC1 ZINC001208767529 773527396 /nfs/dbraw/zinc/52/73/96/773527396.db2.gz AMRCOYLJWYIQRW-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CC(=O)N1CCC[C@H](CN2CCN(CCC[NH+](C)C)CC2)C1 ZINC001208969869 773544037 /nfs/dbraw/zinc/54/40/37/773544037.db2.gz ORUSBSZSEAAPCH-QGZVFWFLSA-N 1 3 310.486 0.814 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001209325299 773592615 /nfs/dbraw/zinc/59/26/15/773592615.db2.gz YITFUOAAOOXJSE-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)CC1 ZINC001209407850 773601536 /nfs/dbraw/zinc/60/15/36/773601536.db2.gz GLQDFOKVVCWDQS-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631210 773627536 /nfs/dbraw/zinc/62/75/36/773627536.db2.gz DEDPIVMKYMNJEO-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951871 773661958 /nfs/dbraw/zinc/66/19/58/773661958.db2.gz OFUFLYPLJPERNS-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001210217372 773686473 /nfs/dbraw/zinc/68/64/73/773686473.db2.gz HSOHEPDTARKSRQ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001210221292 773687493 /nfs/dbraw/zinc/68/74/93/773687493.db2.gz ZFTRNIKQTGKYNJ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001210812021 773741542 /nfs/dbraw/zinc/74/15/42/773741542.db2.gz SQFVYYGLSBESJM-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001211065731 773766583 /nfs/dbraw/zinc/76/65/83/773766583.db2.gz YZYOFSZIPWQCHL-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001211065731 773766589 /nfs/dbraw/zinc/76/65/89/773766589.db2.gz YZYOFSZIPWQCHL-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240549 773784269 /nfs/dbraw/zinc/78/42/69/773784269.db2.gz MMQARAYIMTULFJ-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC[C@H](CN1CCCN(C(=O)COCC[NH+](C)C)CC1)OC ZINC001197831630 773803189 /nfs/dbraw/zinc/80/31/89/773803189.db2.gz ALLAYYNZBFLEGH-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO CO[C@@H](C)CN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833575 773804668 /nfs/dbraw/zinc/80/46/68/773804668.db2.gz XFKVVGSQGJYJGH-AWEZNQCLSA-N 1 3 301.431 0.134 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819574 773811871 /nfs/dbraw/zinc/81/18/71/773811871.db2.gz GUEWZUDCEKWFBG-LPUOJRKPSA-N 1 3 307.438 0.600 20 0 DCADHO CO[C@@H]1CN(CC[C@@H](C)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730528 773880780 /nfs/dbraw/zinc/88/07/80/773880780.db2.gz QBDZBSNXQOUXPF-MGPQQGTHSA-N 1 3 319.421 0.128 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214344245 773962113 /nfs/dbraw/zinc/96/21/13/773962113.db2.gz PQFONMGTNQSQGU-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199064860 774022179 /nfs/dbraw/zinc/02/21/79/774022179.db2.gz SHVVNSHKRRMKAE-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cncn1C1CCOCC1 ZINC001199078565 774026268 /nfs/dbraw/zinc/02/62/68/774026268.db2.gz MZICJOZBWTUEMX-UHFFFAOYSA-N 1 3 308.386 0.309 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001203925935 774036698 /nfs/dbraw/zinc/03/66/98/774036698.db2.gz ZVGLNPNAWIYAAO-UHFFFAOYSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215476469 774076301 /nfs/dbraw/zinc/07/63/01/774076301.db2.gz KFFCOPJMDVVHTI-UMVBOHGHSA-N 1 3 312.458 0.145 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001215994239 774097305 /nfs/dbraw/zinc/09/73/05/774097305.db2.gz WVTWHHNXRDXTBX-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001216506159 774119932 /nfs/dbraw/zinc/11/99/32/774119932.db2.gz CPPVDDZEANHKRB-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001216506159 774119935 /nfs/dbraw/zinc/11/99/35/774119935.db2.gz CPPVDDZEANHKRB-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001216511767 774120214 /nfs/dbraw/zinc/12/02/14/774120214.db2.gz ZIMMMWHWNSBSDQ-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO COCCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851898 774143590 /nfs/dbraw/zinc/14/35/90/774143590.db2.gz KTHGZAAGQGRSRY-HUUCEWRRSA-N 1 3 315.458 0.426 20 0 DCADHO c1cc(OCCO[C@@H]2CC[NH2+]C2)n2nc3c(c2n1)CNCC3 ZINC001218392169 774223013 /nfs/dbraw/zinc/22/30/13/774223013.db2.gz CWJAKDYYMMYVAW-LLVKDONJSA-N 1 3 303.366 0.132 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ncn(C)c2ncnc1-2 ZINC001218494654 774228425 /nfs/dbraw/zinc/22/84/25/774228425.db2.gz LQAAFZJJUSIDML-NSHDSACASA-N 1 3 319.413 0.749 20 0 DCADHO N[C@@H](C(=O)Nc1ccncc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001218498923 774229474 /nfs/dbraw/zinc/22/94/74/774229474.db2.gz ZZOLTEIFDJKGFB-LLVKDONJSA-N 1 3 302.300 0.788 20 0 DCADHO O=C(Nc1cnc(-c2ccccc2)cn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218506310 774231403 /nfs/dbraw/zinc/23/14/03/774231403.db2.gz KXQBSOFYEAQIIR-ZDUSSCGKSA-N 1 3 309.373 0.891 20 0 DCADHO Nc1cccc(-c2cccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)n2)n1 ZINC001218560987 774247583 /nfs/dbraw/zinc/24/75/83/774247583.db2.gz CKJGSZOZFLEBPV-LLVKDONJSA-N 1 3 324.388 0.473 20 0 DCADHO Cn1nc(C(C)(C)C)cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218605206 774260743 /nfs/dbraw/zinc/26/07/43/774260743.db2.gz DKPLGDYLXHTOOR-BDJLRTHQSA-N 1 3 305.426 0.855 20 0 DCADHO Nc1ccnc(-c2cc(NC(=O)[C@@H](N)CCC[NH3+])ccn2)c1 ZINC001218612159 774262867 /nfs/dbraw/zinc/26/28/67/774262867.db2.gz OOSYKKSGNGJNLD-LBPRGKRZSA-N 1 3 300.366 0.731 20 0 DCADHO CCNc1ccnc(Cl)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218614147 774263143 /nfs/dbraw/zinc/26/31/43/774263143.db2.gz UNRRVEWYOWLPRX-SECBINFHSA-N 1 3 309.801 0.914 20 0 DCADHO Cn1ncc2cc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cnc21 ZINC001218615056 774263707 /nfs/dbraw/zinc/26/37/07/774263707.db2.gz KQEDZNBEVJRAFT-IAQYHMDHSA-N 1 3 300.366 0.106 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001218709865 774286101 /nfs/dbraw/zinc/28/61/01/774286101.db2.gz BOOMUYOAFVQUDF-MIJXAVMKSA-N 1 3 306.366 0.662 20 0 DCADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1CNC[C@@H](F)C1 ZINC001218725940 774289235 /nfs/dbraw/zinc/28/92/35/774289235.db2.gz BXLKDSOGBPGIHJ-GMXVVIOVSA-N 1 3 308.357 0.708 20 0 DCADHO N[C@H](C(=O)Nc1cncc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218746673 774295355 /nfs/dbraw/zinc/29/53/55/774295355.db2.gz MDQQNRZYVRPTOU-HNNXBMFYSA-N 1 3 319.409 0.184 20 0 DCADHO O=C(Nc1nc2n[nH]cc2c(Cl)n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218799431 774305526 /nfs/dbraw/zinc/30/55/26/774305526.db2.gz OHXWZRUZBZLKLT-FUXBKTLASA-N 1 3 321.772 0.144 20 0 DCADHO COCCOc1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)ccn1 ZINC001218806922 774306762 /nfs/dbraw/zinc/30/67/62/774306762.db2.gz ISRLJRZQMBKFEP-AWEZNQCLSA-N 1 3 308.382 0.372 20 0 DCADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H](O)C[NH3+])cc2)CC1 ZINC001218846506 774314433 /nfs/dbraw/zinc/31/44/33/774314433.db2.gz XKLCUBGEVBYPBU-INIZCTEOSA-N 1 3 320.437 0.472 20 0 DCADHO COCCOc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218950958 774334661 /nfs/dbraw/zinc/33/46/61/774334661.db2.gz LGALDQGUEKYXHQ-CXAGYDPISA-N 1 3 319.405 0.849 20 0 DCADHO C[N@H+](CCO)CCCNC(=S)NCCN1CCCCC1 ZINC001200443854 774343030 /nfs/dbraw/zinc/34/30/30/774343030.db2.gz DFJDFIJQSZTEMT-UHFFFAOYSA-N 1 3 302.488 0.251 20 0 DCADHO C[N@@H+](CCO)CCCNC(=S)NCCN1CCCCC1 ZINC001200443854 774343039 /nfs/dbraw/zinc/34/30/39/774343039.db2.gz DFJDFIJQSZTEMT-UHFFFAOYSA-N 1 3 302.488 0.251 20 0 DCADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@H]1COC2(CNC2)CN1 ZINC001218997126 774344713 /nfs/dbraw/zinc/34/47/13/774344713.db2.gz RXEYMBXNHAXKIE-UKRRQHHQSA-N 1 3 316.405 0.032 20 0 DCADHO O=C(CNC1CC[NH2+]CC1)Nc1ccc2c(c1)CNCCO2 ZINC001219025391 774349287 /nfs/dbraw/zinc/34/92/87/774349287.db2.gz IAFOXBCXUAUGFX-UHFFFAOYSA-N 1 3 304.394 0.449 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200477966 774360835 /nfs/dbraw/zinc/36/08/35/774360835.db2.gz FQNFLFLFGZXNLS-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO COC(=O)c1ccc(N)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001219147005 774388936 /nfs/dbraw/zinc/38/89/36/774388936.db2.gz KCSPGJWVJGHSAJ-BDJLRTHQSA-N 1 3 318.377 0.193 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1CCCO[C@H](CNCCF)C1)C1CC1 ZINC001200688461 774390350 /nfs/dbraw/zinc/39/03/50/774390350.db2.gz QBVFRDRYQSJKLF-KGLIPLIRSA-N 1 3 301.406 0.503 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200849762 774416544 /nfs/dbraw/zinc/41/65/44/774416544.db2.gz ADNLOAGYGCXVSM-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CN1c2ccc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cc2CNC1=O ZINC001219334940 774453441 /nfs/dbraw/zinc/45/34/41/774453441.db2.gz QKVGMNYYNJOLNY-LBPRGKRZSA-N 1 3 315.377 0.094 20 0 DCADHO CN1Cc2cc(NC(=O)[C@@H](N)CCC[NH3+])ccc2N(C)C1=O ZINC001219393669 774476540 /nfs/dbraw/zinc/47/65/40/774476540.db2.gz QDNQHOHPUZFTJC-LBPRGKRZSA-N 1 3 305.382 0.693 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201494487 774517079 /nfs/dbraw/zinc/51/70/79/774517079.db2.gz SWINHAKVULAJIH-CQSZACIVSA-N 1 3 310.398 0.196 20 0 DCADHO C[C@H](F)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483723 774520656 /nfs/dbraw/zinc/52/06/56/774520656.db2.gz OIJZSHFTILSENO-GXTWGEPZSA-N 1 3 312.389 0.907 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656109 774572938 /nfs/dbraw/zinc/57/29/38/774572938.db2.gz LDZSOZHHNVAGGO-LWHLLYOBSA-N 1 3 309.454 0.844 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656109 774572943 /nfs/dbraw/zinc/57/29/43/774572943.db2.gz LDZSOZHHNVAGGO-LWHLLYOBSA-N 1 3 309.454 0.844 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCCO[C@@H](CNCCF)C1 ZINC001201909530 774577051 /nfs/dbraw/zinc/57/70/51/774577051.db2.gz XYFXSQOANBCREJ-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)c1[nH]nc2c1CNCC2 ZINC001219708194 774587806 /nfs/dbraw/zinc/58/78/06/774587806.db2.gz XPKMWYKKQKHZRV-UHFFFAOYSA-N 1 3 311.389 0.631 20 0 DCADHO CN[C@H](C(=O)NC[C@]1(F)CCC[NH2+]C1)[C@@H](C)OC(C)(C)C ZINC001219768910 774601889 /nfs/dbraw/zinc/60/18/89/774601889.db2.gz QNKGUJIABPGTDI-XUJVJEKNSA-N 1 3 303.422 0.986 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813641 774617685 /nfs/dbraw/zinc/61/76/85/774617685.db2.gz YDORLUYKYMNRRL-BQFCYCMXSA-N 1 3 317.433 0.689 20 0 DCADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1[nH]nc2c1CNCC2 ZINC001219820393 774620159 /nfs/dbraw/zinc/62/01/59/774620159.db2.gz FVPRJACHVXTACG-CABCVRRESA-N 1 3 311.389 0.888 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCOCCO)CC1)N(C)C ZINC001202353331 774639561 /nfs/dbraw/zinc/63/95/61/774639561.db2.gz IMOUPFCYQXDEFY-OAHLLOKOSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)NC2(C[NH3+])COC2)cc1 ZINC001220154836 774712113 /nfs/dbraw/zinc/71/21/13/774712113.db2.gz ZRGGEHITZLQDCI-AWEZNQCLSA-N 1 3 321.421 0.578 20 0 DCADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CNCc2ccnn2C1 ZINC001220159642 774714173 /nfs/dbraw/zinc/71/41/73/774714173.db2.gz PSNWUZAZBFQJQX-CPUCHLNUSA-N 1 3 317.437 0.641 20 0 DCADHO Cc1cccnc1[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001220256841 774747840 /nfs/dbraw/zinc/74/78/40/774747840.db2.gz GTCZBIJCXSMERB-UKRRQHHQSA-N 1 3 300.406 0.766 20 0 DCADHO O=C(N[C@H]1CCc2n[nH]cc2C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220261101 774748395 /nfs/dbraw/zinc/74/83/95/774748395.db2.gz QXYJZYVRBZKGPX-GXTWGEPZSA-N 1 3 303.410 0.257 20 0 DCADHO Cc1[nH]c(=O)c(CNC(=O)[C@@H](N)CCC[NH3+])c2c1CCCC2 ZINC001220335708 774775168 /nfs/dbraw/zinc/77/51/68/774775168.db2.gz QXZLCZZCLLYHFV-AWEZNQCLSA-N 1 3 306.410 0.657 20 0 DCADHO NC[C@H]([NH3+])c1ccc(C(=O)NC2CCN(CCF)CC2)cc1 ZINC001220435852 774806987 /nfs/dbraw/zinc/80/69/87/774806987.db2.gz MLUSDZRPUZMQES-HNNXBMFYSA-N 1 3 308.401 0.809 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220501160 774828163 /nfs/dbraw/zinc/82/81/63/774828163.db2.gz OCVKESIZJNQJNO-UONOGXRCSA-N 1 3 306.410 0.292 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H](C)[C@@H]2CC[NH2+][C@H](C)C2)CCNC1 ZINC001220523084 774836008 /nfs/dbraw/zinc/83/60/08/774836008.db2.gz JCPNNAHXINTVPC-JHJVBQTASA-N 1 3 323.437 0.937 20 0 DCADHO O=C(N[C@@H]1CCc2ccc(O)cc2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220592329 774858365 /nfs/dbraw/zinc/85/83/65/774858365.db2.gz HDQDJOHZDFHGDK-UKRRQHHQSA-N 1 3 301.390 0.175 20 0 DCADHO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001220633854 774870496 /nfs/dbraw/zinc/87/04/96/774870496.db2.gz AXFYEHUJYLEMMS-CABCVRRESA-N 1 3 301.390 0.608 20 0 DCADHO CC(C)(F)c1ncncc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220670130 774884784 /nfs/dbraw/zinc/88/47/84/774884784.db2.gz FVFWSVPZZVWSBD-MLGOLLRUSA-N 1 3 321.400 0.497 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771156 774911524 /nfs/dbraw/zinc/91/15/24/774911524.db2.gz GUEWZUDCEKWFBG-RYIMYRPNSA-N 1 3 307.438 0.600 20 0 DCADHO O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1C[C@@H](F)CCN1 ZINC001220789089 774916518 /nfs/dbraw/zinc/91/65/18/774916518.db2.gz JDQBKTFNVFBVOT-CBBWQLFWSA-N 1 3 306.385 0.939 20 0 DCADHO COc1cccc(C(C)(C)CNC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001220996724 774973749 /nfs/dbraw/zinc/97/37/49/774973749.db2.gz IADJFDXUDOBSDJ-OAHLLOKOSA-N 1 3 320.437 0.811 20 0 DCADHO O=C(NCc1cncn1C1CCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221023923 774981286 /nfs/dbraw/zinc/98/12/86/774981286.db2.gz VNZPFTVFJYCNEW-MLGOLLRUSA-N 1 3 303.410 0.423 20 0 DCADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)NCC1CC1 ZINC001202668091 774984928 /nfs/dbraw/zinc/98/49/28/774984928.db2.gz PSOVVKBFZCUIOU-UHFFFAOYSA-N 1 3 319.409 0.059 20 0 DCADHO O=C(N[C@@H](c1ccnc(F)c1)C1CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221053650 774985442 /nfs/dbraw/zinc/98/54/42/774985442.db2.gz HSRVOQFBXBEMKA-FRFSOERESA-N 1 3 318.396 0.987 20 0 DCADHO O=C(N[C@@H](c1cncc(F)c1)C1CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221049304 774985711 /nfs/dbraw/zinc/98/57/11/774985711.db2.gz RVOCYXLTYDLVNH-FRFSOERESA-N 1 3 318.396 0.987 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060894 774988017 /nfs/dbraw/zinc/98/80/17/774988017.db2.gz SKIABTWMVQTVHP-NHYWBVRUSA-N 1 3 324.400 0.607 20 0 DCADHO O=C(C[C@H]1CNCCO1)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114225 774999196 /nfs/dbraw/zinc/99/91/96/774999196.db2.gz RKARODPBAFYYHB-AWEZNQCLSA-N 1 3 318.421 0.198 20 0 DCADHO NC[C@H](O)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204921 775025045 /nfs/dbraw/zinc/02/50/45/775025045.db2.gz OFSKQVHYRVZMGD-GJZGRUSLSA-N 1 3 309.385 0.692 20 0 DCADHO Cc1ncsc1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221327995 775070244 /nfs/dbraw/zinc/07/02/44/775070244.db2.gz HXHBKSGDVPGJOE-GFCCVEGCSA-N 1 3 308.451 0.984 20 0 DCADHO Cc1ncsc1CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221327995 775070248 /nfs/dbraw/zinc/07/02/48/775070248.db2.gz HXHBKSGDVPGJOE-GFCCVEGCSA-N 1 3 308.451 0.984 20 0 DCADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H](N)Cc2c[nH]cn2)c1 ZINC001221403625 775088299 /nfs/dbraw/zinc/08/82/99/775088299.db2.gz CZMPXLNNAPDSRW-UONOGXRCSA-N 1 3 303.366 0.104 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507100 775372402 /nfs/dbraw/zinc/37/24/02/775372402.db2.gz LQRHHXAWPFNJNP-AAEUAGOBSA-N 1 3 307.467 0.315 20 0 DCADHO CCCN(C)CC(=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001225245664 775657754 /nfs/dbraw/zinc/65/77/54/775657754.db2.gz USLZZHGZLRFEBA-UHFFFAOYSA-N 1 3 315.458 0.165 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001226766343 775875009 /nfs/dbraw/zinc/87/50/09/775875009.db2.gz MORXUVVXQWXTTC-BFHYXJOUSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC001228604196 776101861 /nfs/dbraw/zinc/10/18/61/776101861.db2.gz YRMAUXKQLOPVAH-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001229230918 776172517 /nfs/dbraw/zinc/17/25/17/776172517.db2.gz KHDQCOVJKVBEPW-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21)N(C)C ZINC001114853567 776255891 /nfs/dbraw/zinc/25/58/91/776255891.db2.gz FKXVNDSPEMIBJQ-XUWVNRHRSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21)N(C)C ZINC001114853567 776255898 /nfs/dbraw/zinc/25/58/98/776255898.db2.gz FKXVNDSPEMIBJQ-XUWVNRHRSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C)C(N)=O ZINC001230284618 776275633 /nfs/dbraw/zinc/27/56/33/776275633.db2.gz NYCPVMASFBYIPO-BFHYXJOUSA-N 1 3 312.458 0.608 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001230284718 776275662 /nfs/dbraw/zinc/27/56/62/776275662.db2.gz RRMZEXQOAOKQQC-RBSFLKMASA-N 1 3 324.469 0.622 20 0 DCADHO COc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)ccn1 ZINC001317572235 945067482 /nfs/dbraw/zinc/06/74/82/945067482.db2.gz CGVHCJXQTMNYGG-AWEZNQCLSA-N 1 3 306.410 0.732 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001277981682 945079142 /nfs/dbraw/zinc/07/91/42/945079142.db2.gz OQHUYICSJVZXAE-KGLIPLIRSA-N 1 3 308.430 0.199 20 0 DCADHO CC(C)[N@H+](CCCNC(=O)CN1CCCC1)CC(=O)N(C)C ZINC001317708600 945167865 /nfs/dbraw/zinc/16/78/65/945167865.db2.gz IVDQZSCBGXTYOB-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[N@@H+](CCCNC(=O)CN1CCCC1)CC(=O)N(C)C ZINC001317708600 945167867 /nfs/dbraw/zinc/16/78/67/945167867.db2.gz IVDQZSCBGXTYOB-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001480946073 939466084 /nfs/dbraw/zinc/46/60/84/939466084.db2.gz IPYBNWOMJHOING-NWDGAFQWSA-N 1 3 305.369 0.410 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001480946073 939466085 /nfs/dbraw/zinc/46/60/85/939466085.db2.gz IPYBNWOMJHOING-NWDGAFQWSA-N 1 3 305.369 0.410 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001414184974 939685884 /nfs/dbraw/zinc/68/58/84/939685884.db2.gz UITXQQKPEVCZOY-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001414184974 939685886 /nfs/dbraw/zinc/68/58/86/939685886.db2.gz UITXQQKPEVCZOY-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNCC(=O)N1CCCC1)[NH+](C)C ZINC001481276823 939697772 /nfs/dbraw/zinc/69/77/72/939697772.db2.gz DNUNRAOGFUSITK-OAHLLOKOSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001481300626 939728913 /nfs/dbraw/zinc/72/89/13/939728913.db2.gz DQAGYNXHYKGWRV-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO CCN1CC[C@@H](N2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)C1=O ZINC001481448440 939796761 /nfs/dbraw/zinc/79/67/61/939796761.db2.gz YHOJLGNRWGEQBA-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001481740103 940102605 /nfs/dbraw/zinc/10/26/05/940102605.db2.gz KOGJQWLAOWLBBP-OAHLLOKOSA-N 1 3 307.442 0.447 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001268415691 940114302 /nfs/dbraw/zinc/11/43/02/940114302.db2.gz QRJZALPPAZZFIT-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H]1CC[C@@H](CNC[C@H](O)COc2ccc(CCO)cc2)C[NH2+]1 ZINC001245975099 945302431 /nfs/dbraw/zinc/30/24/31/945302431.db2.gz ORFHHTACZMXVPU-PVAVHDDUSA-N 1 3 322.449 0.939 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O)N(C)C ZINC001482064963 940242273 /nfs/dbraw/zinc/24/22/73/940242273.db2.gz ABIBSEPJCVRVJM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268580791 940265445 /nfs/dbraw/zinc/26/54/45/940265445.db2.gz CIQWLZQZMFPTDU-IEFPBGJLSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268580791 940265447 /nfs/dbraw/zinc/26/54/47/940265447.db2.gz CIQWLZQZMFPTDU-IEFPBGJLSA-N 1 3 310.442 0.243 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001268615316 940301715 /nfs/dbraw/zinc/30/17/15/940301715.db2.gz ACYJKSSNAKEDJQ-LAYDCRAFSA-N 1 3 310.442 0.065 20 0 DCADHO COC(=O)[C@@H](O)CN[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246003006 945312719 /nfs/dbraw/zinc/31/27/19/945312719.db2.gz WNIWUQXANMKIAQ-GJZGRUSLSA-N 1 3 310.369 0.990 20 0 DCADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC[C@@H](F)C1 ZINC001246028816 945321702 /nfs/dbraw/zinc/32/17/02/945321702.db2.gz KSBDGAQLZIDMEF-QLFBSQMISA-N 1 3 317.355 0.439 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001269710775 940761004 /nfs/dbraw/zinc/76/10/04/940761004.db2.gz GENWBWLDCCGNMX-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1 ZINC001270672865 940961941 /nfs/dbraw/zinc/96/19/41/940961941.db2.gz OWJHSWCSYGXSCW-XHSDSOJGSA-N 1 3 317.437 0.653 20 0 DCADHO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1 ZINC001270672865 940961944 /nfs/dbraw/zinc/96/19/44/940961944.db2.gz OWJHSWCSYGXSCW-XHSDSOJGSA-N 1 3 317.437 0.653 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001270671634 940962046 /nfs/dbraw/zinc/96/20/46/940962046.db2.gz BESUHIQQKRVFEH-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO COc1cc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001482364982 941022978 /nfs/dbraw/zinc/02/29/78/941022978.db2.gz RDXUAIJMLFZFQM-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001482364982 941022982 /nfs/dbraw/zinc/02/29/82/941022982.db2.gz RDXUAIJMLFZFQM-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001482369174 941025846 /nfs/dbraw/zinc/02/58/46/941025846.db2.gz LESCCBZWJIUYSL-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)CN1CCCC1 ZINC001271206560 941322264 /nfs/dbraw/zinc/32/22/64/941322264.db2.gz HAHWTEDWCQBIIN-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001409086965 941458492 /nfs/dbraw/zinc/45/84/92/941458492.db2.gz KRTLTFGHVGOARI-CZUORRHYSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001409086965 941458494 /nfs/dbraw/zinc/45/84/94/941458494.db2.gz KRTLTFGHVGOARI-CZUORRHYSA-N 1 3 324.469 0.241 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001409087363 941460137 /nfs/dbraw/zinc/46/01/37/941460137.db2.gz AGKMMVPAPXEXLG-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001409087363 941460139 /nfs/dbraw/zinc/46/01/39/941460139.db2.gz AGKMMVPAPXEXLG-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001271930726 941482810 /nfs/dbraw/zinc/48/28/10/941482810.db2.gz AUGVXXRVEMSWSV-YESZJQIVSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001409103279 941523073 /nfs/dbraw/zinc/52/30/73/941523073.db2.gz AJCPNRYOYVWSES-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]cn1 ZINC001409195885 941575992 /nfs/dbraw/zinc/57/59/92/941575992.db2.gz YFTSPJHRKPXNIK-KBPBESRZSA-N 1 3 319.409 0.106 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C)C1=O ZINC001482901278 941701906 /nfs/dbraw/zinc/70/19/06/941701906.db2.gz JPFPUOGCEGETDP-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482924323 941712544 /nfs/dbraw/zinc/71/25/44/941712544.db2.gz PMWIJRGWAZFJIL-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482924323 941712547 /nfs/dbraw/zinc/71/25/47/941712547.db2.gz PMWIJRGWAZFJIL-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482930278 941715539 /nfs/dbraw/zinc/71/55/39/941715539.db2.gz PMPNBFQFDITRJG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482930278 941715542 /nfs/dbraw/zinc/71/55/42/941715542.db2.gz PMPNBFQFDITRJG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950229 941726173 /nfs/dbraw/zinc/72/61/73/941726173.db2.gz KAPYFBAWAPICLY-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482950229 941726174 /nfs/dbraw/zinc/72/61/74/941726174.db2.gz KAPYFBAWAPICLY-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(CNCc2ccn(C)n2)C1)[NH+](C)C ZINC001409273559 941856296 /nfs/dbraw/zinc/85/62/96/941856296.db2.gz GENRKOLKMREMAG-BCLQGDPASA-N 1 3 321.469 0.991 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C)C(N)=O ZINC001483251628 942207052 /nfs/dbraw/zinc/20/70/52/942207052.db2.gz HUWHUXJBTYWIFL-QWHCGFSZSA-N 1 3 320.437 0.372 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483256484 942213048 /nfs/dbraw/zinc/21/30/48/942213048.db2.gz XSMHJHXLRDTVBO-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284452 942238606 /nfs/dbraw/zinc/23/86/06/942238606.db2.gz NJQWDYCLEZBERA-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCn2cccn2)C1 ZINC001483493250 942385770 /nfs/dbraw/zinc/38/57/70/942385770.db2.gz WDNAOENWWLUWKI-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001127067072 942427941 /nfs/dbraw/zinc/42/79/41/942427941.db2.gz VYCSWYBWEYPOGU-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001127067072 942427943 /nfs/dbraw/zinc/42/79/43/942427943.db2.gz VYCSWYBWEYPOGU-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001483579297 942438956 /nfs/dbraw/zinc/43/89/56/942438956.db2.gz HFTYZYRAPCURHO-ZIAGYGMSSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)c1 ZINC001483608304 942460981 /nfs/dbraw/zinc/46/09/81/942460981.db2.gz RNILCYDPXHJXAI-HNNXBMFYSA-N 1 3 318.421 0.332 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254921 942774441 /nfs/dbraw/zinc/77/44/41/942774441.db2.gz GRTHRSACZAPRGO-GOEBONIOSA-N 1 3 319.453 0.809 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254921 942774446 /nfs/dbraw/zinc/77/44/46/942774446.db2.gz GRTHRSACZAPRGO-GOEBONIOSA-N 1 3 319.453 0.809 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N(C)C)C1 ZINC001484124487 943156371 /nfs/dbraw/zinc/15/63/71/943156371.db2.gz ZDYLZOLLJZOJCB-INIZCTEOSA-N 1 3 312.458 0.245 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001484338116 943327056 /nfs/dbraw/zinc/32/70/56/943327056.db2.gz FZJUUYQCIFFNRM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NCC(=O)NC2CC2)CCC1)[NH+](C)C ZINC001484649202 943493037 /nfs/dbraw/zinc/49/30/37/943493037.db2.gz FNBCWYUZWFUERF-OAHLLOKOSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001484678970 943509988 /nfs/dbraw/zinc/50/99/88/943509988.db2.gz TWTOIMFRAWNKHN-QWHCGFSZSA-N 1 3 307.385 0.453 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001484946489 943633373 /nfs/dbraw/zinc/63/33/73/943633373.db2.gz NRXAOLYGDQNGLP-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001484994248 943648823 /nfs/dbraw/zinc/64/88/23/943648823.db2.gz AHDGDJIGPJLAFE-MJBXVCDLSA-N 1 3 314.474 0.534 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001490958279 943688432 /nfs/dbraw/zinc/68/84/32/943688432.db2.gz UHHLUBDXUCKXDL-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)N(C)C ZINC001491037242 943722316 /nfs/dbraw/zinc/72/23/16/943722316.db2.gz GCSSFPUJOHPPRR-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)NC1CC1 ZINC001491055087 943728611 /nfs/dbraw/zinc/72/86/11/943728611.db2.gz KFKABMQDKIOTIQ-NZBPQXDJSA-N 1 3 322.453 0.232 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@]23CCOC3)C1 ZINC001491079528 943736636 /nfs/dbraw/zinc/73/66/36/943736636.db2.gz DERSDIIVONECKB-AIANPOQGSA-N 1 3 309.454 0.990 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN(C)C(C)C ZINC001491361420 943940679 /nfs/dbraw/zinc/94/06/79/943940679.db2.gz KXQCJKITWGFKHF-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN(C)C(C)C ZINC001491361420 943940682 /nfs/dbraw/zinc/94/06/82/943940682.db2.gz KXQCJKITWGFKHF-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001491476857 944030471 /nfs/dbraw/zinc/03/04/71/944030471.db2.gz DDYPCABZKAUXPI-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001491482640 944034004 /nfs/dbraw/zinc/03/40/04/944034004.db2.gz YALNMHLAPOBNEH-LBPRGKRZSA-N 1 3 307.442 0.807 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)N(C)C ZINC001491495563 944043871 /nfs/dbraw/zinc/04/38/71/944043871.db2.gz NTAVWHTWKRSZDN-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCCF)C1 ZINC001485650559 944052930 /nfs/dbraw/zinc/05/29/30/944052930.db2.gz WXTIJYPBKSPOMW-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCCF)C1 ZINC001485650559 944052937 /nfs/dbraw/zinc/05/29/37/944052937.db2.gz WXTIJYPBKSPOMW-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001485703674 944084124 /nfs/dbraw/zinc/08/41/24/944084124.db2.gz ZUBKOXLQQHZPLE-JYJNAYRXSA-N 1 3 321.469 0.787 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C[C@H]3CCCO3)C[C@H]2CC1 ZINC001276428226 944166380 /nfs/dbraw/zinc/16/63/80/944166380.db2.gz CXJTWQUSXAGCQR-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C[C@H]3CCCO3)C[C@H]2CC1 ZINC001276428226 944166382 /nfs/dbraw/zinc/16/63/82/944166382.db2.gz CXJTWQUSXAGCQR-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000715511878 944232496 /nfs/dbraw/zinc/23/24/96/944232496.db2.gz NDKDFGIQVHCDGK-UONOGXRCSA-N 1 3 303.472 0.873 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001215474351 944276240 /nfs/dbraw/zinc/27/62/40/944276240.db2.gz NOSMGPZXTGHNNJ-RBSFLKMASA-N 1 3 315.458 0.018 20 0 DCADHO Cc1c[nH]c(=O)c(CN2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c1 ZINC001276871661 944338292 /nfs/dbraw/zinc/33/82/92/944338292.db2.gz BKCLBUVJDYXRNB-IYBDPMFKSA-N 1 3 320.437 0.542 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC)C1 ZINC001485912158 944400164 /nfs/dbraw/zinc/40/01/64/944400164.db2.gz MIVHIPPSXPJWPS-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC)C1 ZINC001485912158 944400167 /nfs/dbraw/zinc/40/01/67/944400167.db2.gz MIVHIPPSXPJWPS-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001486123460 944579322 /nfs/dbraw/zinc/57/93/22/944579322.db2.gz CDYCENMCEBHPPT-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316840336 944591407 /nfs/dbraw/zinc/59/14/07/944591407.db2.gz ODWQPMYYQFNSMT-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)C1 ZINC001277045942 944639158 /nfs/dbraw/zinc/63/91/58/944639158.db2.gz ANUCMENJMLKPJE-XEZPLFJOSA-N 1 3 315.433 0.676 20 0 DCADHO C[C@@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001277208840 944705291 /nfs/dbraw/zinc/70/52/91/944705291.db2.gz AKQZITZWBQRASC-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C[C@H](O)CNCc1cncs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486317967 944763324 /nfs/dbraw/zinc/76/33/24/944763324.db2.gz RMZXFRGSTVAJIO-NWDGAFQWSA-N 1 3 312.439 0.004 20 0 DCADHO CN(C[C@H](O)CNCc1cncs1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486317967 944763328 /nfs/dbraw/zinc/76/33/28/944763328.db2.gz RMZXFRGSTVAJIO-NWDGAFQWSA-N 1 3 312.439 0.004 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC001486481244 944916538 /nfs/dbraw/zinc/91/65/38/944916538.db2.gz GNQULAKXIFQVQM-UHFFFAOYSA-N 1 3 307.442 0.804 20 0 DCADHO C[NH+]1CCC(NC(=O)[C@H]2CC23CN(CC2(C)COC2)C3)CC1 ZINC001277934554 945048284 /nfs/dbraw/zinc/04/82/84/945048284.db2.gz WVJSBUQCWYYZQJ-CQSZACIVSA-N 1 3 307.438 0.555 20 0 DCADHO FC(F)(F)Cn1ccnc1CN[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246380063 945400073 /nfs/dbraw/zinc/40/00/73/945400073.db2.gz CHFOXDGQUCRQFL-JTQLQIEISA-N 1 3 303.332 0.629 20 0 DCADHO CC(C)(C)OC(=O)CN1CCC(N2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246564703 945433251 /nfs/dbraw/zinc/43/32/51/945433251.db2.gz GCBYICJNNBJZPS-ZIAGYGMSSA-N 1 3 313.442 0.186 20 0 DCADHO CCOC(=O)[C@H]1CC2(CN1[C@H]1CCNC(=O)C1)CC[NH2+]CC2 ZINC001246604502 945442078 /nfs/dbraw/zinc/44/20/78/945442078.db2.gz QTFWEUJKBOXDSM-QWHCGFSZSA-N 1 3 309.410 0.272 20 0 DCADHO CCCC[C@@H]1C[C@H](N2CCOC[C@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246608595 945442419 /nfs/dbraw/zinc/44/24/19/945442419.db2.gz XXXAMJUBNSOEFH-ZACQAIPSSA-N 1 3 311.470 0.988 20 0 DCADHO O=C([C@@H]1C[N@@H+](C2CCNCC2)CC12CCOCC2)N1CC=CC1 ZINC001246697372 945463399 /nfs/dbraw/zinc/46/33/99/945463399.db2.gz UQZRUSLAIKVVGB-INIZCTEOSA-N 1 3 319.449 0.865 20 0 DCADHO O=C([C@@H]1C[N@H+](C2CCNCC2)CC12CCOCC2)N1CC=CC1 ZINC001246697372 945463404 /nfs/dbraw/zinc/46/34/04/945463404.db2.gz UQZRUSLAIKVVGB-INIZCTEOSA-N 1 3 319.449 0.865 20 0 DCADHO C[C@@H]1C[C@H](N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246708404 945467250 /nfs/dbraw/zinc/46/72/50/945467250.db2.gz JSHVONUXQOZOOG-FPCVCCKLSA-N 1 3 317.437 0.754 20 0 DCADHO COC(=O)[C@@H]1CNCCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001246857971 945508113 /nfs/dbraw/zinc/50/81/13/945508113.db2.gz YFQUMSKJYBFGSK-QXULXFAOSA-N 1 3 307.438 0.839 20 0 DCADHO COC(=O)[C@@H]1CNCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001246857971 945508116 /nfs/dbraw/zinc/50/81/16/945508116.db2.gz YFQUMSKJYBFGSK-QXULXFAOSA-N 1 3 307.438 0.839 20 0 DCADHO COc1cc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)ccn1 ZINC001246967638 945529472 /nfs/dbraw/zinc/52/94/72/945529472.db2.gz GIZORQDYMMJXEU-HNNXBMFYSA-N 1 3 317.437 0.306 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246974853 945532978 /nfs/dbraw/zinc/53/29/78/945532978.db2.gz KDSJFYRUBNSWTE-OAGGEKHMSA-N 1 3 324.469 0.168 20 0 DCADHO C[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)C[NH2+]CC[C@@H]1O ZINC001247754056 945572349 /nfs/dbraw/zinc/57/23/49/945572349.db2.gz PYMHLLUGYQQWQT-XJKSGUPXSA-N 1 3 315.377 0.389 20 0 DCADHO Cn1cc2cccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)c2n1 ZINC001247830300 945576912 /nfs/dbraw/zinc/57/69/12/945576912.db2.gz MPTBWVWDAZQYKZ-LBPRGKRZSA-N 1 3 310.361 0.900 20 0 DCADHO c1cn(-c2ccccc2-c2noc(C34CNCC3C[NH2+]C4)n2)cn1 ZINC001247850957 945579284 /nfs/dbraw/zinc/57/92/84/945579284.db2.gz KVOUJKSGJGNTSI-UHFFFAOYSA-N 1 3 322.372 0.983 20 0 DCADHO COc1nc(C)ccc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247851189 945579327 /nfs/dbraw/zinc/57/93/27/945579327.db2.gz OFDAGBSUZPYURY-UHFFFAOYSA-N 1 3 301.350 0.509 20 0 DCADHO COCc1cccc(-c2noc(C34CNCC3C[NH2+]C4)n2)c1 ZINC001247850964 945579571 /nfs/dbraw/zinc/57/95/71/945579571.db2.gz LCJAHPFXMBYGER-UHFFFAOYSA-N 1 3 300.362 0.943 20 0 DCADHO COc1cc(-c2noc(C34CNCC3C[NH2+]C4)n2)ccc1F ZINC001247855966 945579979 /nfs/dbraw/zinc/57/99/79/945579979.db2.gz ITZNJRNRAVCKFR-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO CC(C)N1CCN(CCNC(=S)NCC[NH+](C)C)CC1 ZINC001249846693 945648507 /nfs/dbraw/zinc/64/85/07/945648507.db2.gz LZUHCCAZHKHPMP-UHFFFAOYSA-N 1 3 301.504 0.038 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001487441274 945773111 /nfs/dbraw/zinc/77/31/11/945773111.db2.gz UITXQQKPEVCZOY-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001487441274 945773117 /nfs/dbraw/zinc/77/31/17/945773117.db2.gz UITXQQKPEVCZOY-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001273203020 945789708 /nfs/dbraw/zinc/78/97/08/945789708.db2.gz GNJCOHHPJSFHPD-LSDHHAIUSA-N 1 3 322.457 0.637 20 0 DCADHO C[C@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001251968831 945828163 /nfs/dbraw/zinc/82/81/63/945828163.db2.gz JYHLMNDFMZMKNP-GOEBONIOSA-N 1 3 319.449 0.772 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320738149 946000191 /nfs/dbraw/zinc/00/01/91/946000191.db2.gz SRFNIXZSQDCOAC-INIZCTEOSA-N 1 3 319.453 0.700 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)C(N)=O)CC2)CC1 ZINC001320812300 946026783 /nfs/dbraw/zinc/02/67/83/946026783.db2.gz KFRMEEQKMHPATB-UHFFFAOYSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@@H](CCNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001410283897 946137281 /nfs/dbraw/zinc/13/72/81/946137281.db2.gz WDPGOBGHDFERNR-ZIAGYGMSSA-N 1 3 312.458 0.336 20 0 DCADHO C[N@H+](C[C@H](O)CO)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254035854 946222782 /nfs/dbraw/zinc/22/27/82/946222782.db2.gz KXEMGKBHXQWUMU-INIZCTEOSA-N 1 3 308.422 0.299 20 0 DCADHO C[N@@H+](C[C@H](O)CO)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254035854 946222792 /nfs/dbraw/zinc/22/27/92/946222792.db2.gz KXEMGKBHXQWUMU-INIZCTEOSA-N 1 3 308.422 0.299 20 0 DCADHO O=C1C[C@@H](NCC2(O)CC[NH+](Cc3ccccc3)CC2)CO1 ZINC001254049869 946225483 /nfs/dbraw/zinc/22/54/83/946225483.db2.gz POGASWWCSQEUIV-OAHLLOKOSA-N 1 3 304.390 0.919 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001321417986 946323273 /nfs/dbraw/zinc/32/32/73/946323273.db2.gz WWCIOXYLLBQXLX-ZRUQZJFASA-N 1 3 310.442 0.259 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001410421863 946340457 /nfs/dbraw/zinc/34/04/57/946340457.db2.gz VUKZJLXVELHULH-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001410436611 946368343 /nfs/dbraw/zinc/36/83/43/946368343.db2.gz NWMAYHRTQMTDTH-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001410447699 946389620 /nfs/dbraw/zinc/38/96/20/946389620.db2.gz ICGQKLGFSCODJI-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCS(=O)(=O)N([C@@H]1CCC[NH2+]C1)[C@H]1CC2CCN(CC2)C1 ZINC001254867476 946442749 /nfs/dbraw/zinc/44/27/49/946442749.db2.gz JPHFCSAMNGYFLX-CABCVRRESA-N 1 3 315.483 0.874 20 0 DCADHO C[N@@H+]1CCC[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001255483970 946514293 /nfs/dbraw/zinc/51/42/93/946514293.db2.gz UDOIBJAQUMPBLD-ZDUSSCGKSA-N 1 3 315.421 0.808 20 0 DCADHO C[N@H+]1CCC[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001255483970 946514299 /nfs/dbraw/zinc/51/42/99/946514299.db2.gz UDOIBJAQUMPBLD-ZDUSSCGKSA-N 1 3 315.421 0.808 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001321991430 946541838 /nfs/dbraw/zinc/54/18/38/946541838.db2.gz NRCUBJPJFWYGNI-KBPBESRZSA-N 1 3 307.442 0.399 20 0 DCADHO C[NH+]1CCC(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)CC1 ZINC001256205224 946595293 /nfs/dbraw/zinc/59/52/93/946595293.db2.gz XOVQCLZUZHALAY-CVEARBPZSA-N 1 3 317.437 0.708 20 0 DCADHO COC(=O)[C@@H](CN)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256581972 946644472 /nfs/dbraw/zinc/64/44/72/946644472.db2.gz DRXHJUMRCWTBSH-AWEZNQCLSA-N 1 3 306.410 0.384 20 0 DCADHO CN(CCC[NH2+]CC(=O)N(C)C1CC1)C(=O)[C@@H]1CCCN1C ZINC001322442380 946679907 /nfs/dbraw/zinc/67/99/07/946679907.db2.gz KWEDGXUVXCFODN-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001322525034 946708500 /nfs/dbraw/zinc/70/85/00/946708500.db2.gz OQJQDQVWJSDTSE-CABCVRRESA-N 1 3 310.442 0.635 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)[C@H]1CCCCN1C ZINC001322571170 946727446 /nfs/dbraw/zinc/72/74/46/946727446.db2.gz UTDDUTCKKKWZNN-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN(C)Cc1cnc(C[NH2+]CCN2CCC(CO)CC2)s1 ZINC001257431846 946736815 /nfs/dbraw/zinc/73/68/15/946736815.db2.gz KEAOZMDLDQNKEF-UHFFFAOYSA-N 1 3 312.483 0.999 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001322652265 946757218 /nfs/dbraw/zinc/75/72/18/946757218.db2.gz ULBLPXJFTFQZCA-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2cnn(C)c2)C1 ZINC001322694790 946772599 /nfs/dbraw/zinc/77/25/99/946772599.db2.gz VHRBFPATXGJAJX-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCOC(=O)CC[C@H](C)N1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001258498056 946844249 /nfs/dbraw/zinc/84/42/49/946844249.db2.gz HOSXWDWPQLETSW-AWEZNQCLSA-N 1 3 313.442 0.814 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001410827254 946996377 /nfs/dbraw/zinc/99/63/77/946996377.db2.gz WKHXVFUUTKTSII-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C[C@H]1C ZINC001410850666 947030596 /nfs/dbraw/zinc/03/05/96/947030596.db2.gz ABTSFYRDCBDMSU-YPMHNXCESA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2n[nH]c(C)n2)C[C@H]1C ZINC001410850666 947030608 /nfs/dbraw/zinc/03/06/08/947030608.db2.gz ABTSFYRDCBDMSU-YPMHNXCESA-N 1 3 308.430 0.534 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001410864074 947047047 /nfs/dbraw/zinc/04/70/47/947047047.db2.gz SERYVZBSKZPELR-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CN(C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C1CC1 ZINC001410969412 947178225 /nfs/dbraw/zinc/17/82/25/947178225.db2.gz CEJNWDVOZBLWEL-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CCOCCN1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001324616161 947479829 /nfs/dbraw/zinc/47/98/29/947479829.db2.gz SVQOPYLPRXNROI-WBVHZDCISA-N 1 3 309.454 0.945 20 0 DCADHO CN(CCNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1)C1CC1 ZINC001262065359 947547342 /nfs/dbraw/zinc/54/73/42/947547342.db2.gz YAOKWEYMAUHOTG-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC001262553165 947724908 /nfs/dbraw/zinc/72/49/08/947724908.db2.gz QDNLELZYIROIHA-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001326372598 948142013 /nfs/dbraw/zinc/14/20/13/948142013.db2.gz VIJIMUKEVQFCJL-ZDUSSCGKSA-N 1 3 317.397 0.072 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001487909675 948353527 /nfs/dbraw/zinc/35/35/27/948353527.db2.gz PVGXXUFLEVZXHJ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC(=O)[C@@](C)(O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC001364381682 949155710 /nfs/dbraw/zinc/15/57/10/949155710.db2.gz MOLYNTFEODWFSH-KRWDZBQOSA-N 1 3 311.470 0.817 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001488872544 949337960 /nfs/dbraw/zinc/33/79/60/949337960.db2.gz KWCKYECWWRHZKF-IHRRRGAJSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001488872544 949337981 /nfs/dbraw/zinc/33/79/81/949337981.db2.gz KWCKYECWWRHZKF-IHRRRGAJSA-N 1 3 320.441 0.141 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001329169620 949408882 /nfs/dbraw/zinc/40/88/82/949408882.db2.gz YRTXSBGOYGGZGS-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001329169620 949408887 /nfs/dbraw/zinc/40/88/87/949408887.db2.gz YRTXSBGOYGGZGS-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)C1 ZINC001265181385 949416188 /nfs/dbraw/zinc/41/61/88/949416188.db2.gz YYXJSDCAQQMCAL-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)C1 ZINC001265181385 949416200 /nfs/dbraw/zinc/41/62/00/949416200.db2.gz YYXJSDCAQQMCAL-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCn1nnc(C)c1C[NH2+]C[C@H](C)CN1CCN(CC)CC1 ZINC001364574253 949574251 /nfs/dbraw/zinc/57/42/51/949574251.db2.gz GPNHYDUUNVHLPT-AWEZNQCLSA-N 1 3 308.474 0.970 20 0 DCADHO CCN(CCNC(=O)C(C)(C)[NH+]1CCCC1)CCn1cncn1 ZINC001493001658 949631607 /nfs/dbraw/zinc/63/16/07/949631607.db2.gz OCUHICNLXFFIOR-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001489238248 949657374 /nfs/dbraw/zinc/65/73/74/949657374.db2.gz JCLWSQYIGHCQDE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2cnn(C)c2)[C@@H]1C ZINC001489300572 949683433 /nfs/dbraw/zinc/68/34/33/949683433.db2.gz KVDNECVIQMLGRI-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2cnn(C)c2)[C@@H]1C ZINC001489300572 949683445 /nfs/dbraw/zinc/68/34/45/949683445.db2.gz KVDNECVIQMLGRI-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC001364698051 949775708 /nfs/dbraw/zinc/77/57/08/949775708.db2.gz LLMWNEFZFKADIL-ILXRZTDVSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C)[C@@H](O)C1 ZINC001364698051 949775724 /nfs/dbraw/zinc/77/57/24/949775724.db2.gz LLMWNEFZFKADIL-ILXRZTDVSA-N 1 3 314.474 0.671 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001266012636 950252305 /nfs/dbraw/zinc/25/23/05/950252305.db2.gz HFUHVNNPNYGNSI-LSDHHAIUSA-N 1 3 322.457 0.302 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](CCn1cncn1)C1CC1 ZINC001266125545 950400347 /nfs/dbraw/zinc/40/03/47/950400347.db2.gz FBUWLPAMZOZZBL-OAHLLOKOSA-N 1 3 320.441 0.343 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](CCn1cncn1)C1CC1 ZINC001266125545 950400364 /nfs/dbraw/zinc/40/03/64/950400364.db2.gz FBUWLPAMZOZZBL-OAHLLOKOSA-N 1 3 320.441 0.343 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC001330514039 950471333 /nfs/dbraw/zinc/47/13/33/950471333.db2.gz SSYUUECEXUEEMC-UHFFFAOYSA-N 1 3 309.458 0.147 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(CCO)CC3)CC2)CC1 ZINC001365101822 950518918 /nfs/dbraw/zinc/51/89/18/950518918.db2.gz KHOBMJZGBHJBMF-UHFFFAOYSA-N 1 3 324.469 0.759 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)c2c(CN)cnn2C)CC1 ZINC001330614596 950547900 /nfs/dbraw/zinc/54/79/00/950547900.db2.gz LDYMBYUTAVDLTP-UHFFFAOYSA-N 1 3 309.414 0.110 20 0 DCADHO C[NH+](C)CCC(=O)NCC1=CCN(CCn2cccn2)CC1 ZINC001279628362 950650633 /nfs/dbraw/zinc/65/06/33/950650633.db2.gz HDXADHNLCTWQHV-UHFFFAOYSA-N 1 3 305.426 0.583 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331160850 950976569 /nfs/dbraw/zinc/97/65/69/950976569.db2.gz LWPQKAYLMWADOU-IHRRRGAJSA-N 1 3 310.442 0.221 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC001490725811 951040259 /nfs/dbraw/zinc/04/02/59/951040259.db2.gz ANJILVJUCDITQZ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC001490725811 951040273 /nfs/dbraw/zinc/04/02/73/951040273.db2.gz ANJILVJUCDITQZ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@@H+]3C3CC3)C2=O)CC1 ZINC001274016114 951330302 /nfs/dbraw/zinc/33/03/02/951330302.db2.gz LDEUZURXHIUBOZ-SFHVURJKSA-N 1 3 320.481 0.853 20 0 DCADHO CN1CCN(CCCN2CC[C@@]3(CCC[N@H+]3C3CC3)C2=O)CC1 ZINC001274016114 951330313 /nfs/dbraw/zinc/33/03/13/951330313.db2.gz LDEUZURXHIUBOZ-SFHVURJKSA-N 1 3 320.481 0.853 20 0 DCADHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001274125719 951428311 /nfs/dbraw/zinc/42/83/11/951428311.db2.gz UAONIUAMXUSINZ-BUHQSOCUSA-N 1 3 320.441 0.368 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001274609465 951734886 /nfs/dbraw/zinc/73/48/86/951734886.db2.gz KZLIQYZEUMHGSE-KOABKASLSA-N 1 3 308.426 0.011 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001274609465 951734895 /nfs/dbraw/zinc/73/48/95/951734895.db2.gz KZLIQYZEUMHGSE-KOABKASLSA-N 1 3 308.426 0.011 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCC(=O)N1)C2 ZINC001275188638 951991065 /nfs/dbraw/zinc/99/10/65/951991065.db2.gz OTAAKCPDDLZSJB-DOTOQJQBSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCC(=O)N1)C2 ZINC001275188638 951991073 /nfs/dbraw/zinc/99/10/73/951991073.db2.gz OTAAKCPDDLZSJB-DOTOQJQBSA-N 1 3 308.470 0.615 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1nccnc1N)C2 ZINC001275894042 952510208 /nfs/dbraw/zinc/51/02/08/952510208.db2.gz DOHYNAJONHKMGE-QGZVFWFLSA-N 1 3 318.469 0.908 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001412635805 952956234 /nfs/dbraw/zinc/95/62/34/952956234.db2.gz MPDLMSDEMXWCGQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001412635805 952956235 /nfs/dbraw/zinc/95/62/35/952956235.db2.gz MPDLMSDEMXWCGQ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO [NH3+]CCNCC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001341259113 953219652 /nfs/dbraw/zinc/21/96/52/953219652.db2.gz NGSXNCISFMDJIE-KBPBESRZSA-N 1 3 318.421 0.044 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001366113329 953702762 /nfs/dbraw/zinc/70/27/62/953702762.db2.gz LJHLGNJKQVWAQK-IHRRRGAJSA-N 1 3 322.453 0.328 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001366121844 953712393 /nfs/dbraw/zinc/71/23/93/953712393.db2.gz APYXNBBSUSFCTD-KKUMJFAQSA-N 1 3 324.469 0.622 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001366130655 953721511 /nfs/dbraw/zinc/72/15/11/953721511.db2.gz JVEKXGGOVBSHKY-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366163345 953764350 /nfs/dbraw/zinc/76/43/50/953764350.db2.gz SLVYSQJRARYUKK-GUTXKFCHSA-N 1 3 312.458 0.334 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001366165377 953767388 /nfs/dbraw/zinc/76/73/88/953767388.db2.gz FHICMFHZIRBQLL-GASCZTMLSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC(=O)Nc2ccon2)C1 ZINC001366171255 953776877 /nfs/dbraw/zinc/77/68/77/953776877.db2.gz NFLJKQBHBMWFMT-TXEJJXNPSA-N 1 3 323.397 0.192 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC(=O)Nc2ccon2)C1 ZINC001366171255 953776885 /nfs/dbraw/zinc/77/68/85/953776885.db2.gz NFLJKQBHBMWFMT-TXEJJXNPSA-N 1 3 323.397 0.192 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001366207133 953822135 /nfs/dbraw/zinc/82/21/35/953822135.db2.gz SCFAGNGERYIXKK-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001366214126 953835533 /nfs/dbraw/zinc/83/55/33/953835533.db2.gz KLVXFJRUPILLNQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)N(C)C ZINC001366231781 953862835 /nfs/dbraw/zinc/86/28/35/953862835.db2.gz ZFJKGDUJGZOAGA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001366243587 953883396 /nfs/dbraw/zinc/88/33/96/953883396.db2.gz OQMIOMXSLITAJJ-HSBZDZAISA-N 1 3 312.458 0.478 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001366250544 953895201 /nfs/dbraw/zinc/89/52/01/953895201.db2.gz XDBDSRHZYLBXBS-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)N1CCCC1)[NH+](C)C ZINC001366299012 953982432 /nfs/dbraw/zinc/98/24/32/953982432.db2.gz YXSQNYYURVFDCP-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001366301000 953983184 /nfs/dbraw/zinc/98/31/84/953983184.db2.gz KJBWXJCFILZBCI-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001366301000 953983189 /nfs/dbraw/zinc/98/31/89/953983189.db2.gz KJBWXJCFILZBCI-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C1CC1 ZINC001366318427 954014590 /nfs/dbraw/zinc/01/45/90/954014590.db2.gz BVGUULJDVVUTIT-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCCC1 ZINC001366359222 954092751 /nfs/dbraw/zinc/09/27/51/954092751.db2.gz RMERSNSKPMEKQG-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCCC1 ZINC001366359222 954092764 /nfs/dbraw/zinc/09/27/64/954092764.db2.gz RMERSNSKPMEKQG-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001366367154 954103907 /nfs/dbraw/zinc/10/39/07/954103907.db2.gz NIDZZKYZVWSJFN-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001366376547 954120197 /nfs/dbraw/zinc/12/01/97/954120197.db2.gz DDVQOFSPBHIYCA-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001366436618 954192523 /nfs/dbraw/zinc/19/25/23/954192523.db2.gz OUQTXXBLRHBWKC-SOUVJXGZSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001366436618 954192526 /nfs/dbraw/zinc/19/25/26/954192526.db2.gz OUQTXXBLRHBWKC-SOUVJXGZSA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001366441012 954199634 /nfs/dbraw/zinc/19/96/34/954199634.db2.gz UZDHRCWPQIVLOK-CABCVRRESA-N 1 3 322.457 0.635 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366698431 954669215 /nfs/dbraw/zinc/66/92/15/954669215.db2.gz NBDVJULFPSFZMM-LSDHHAIUSA-N 1 3 322.457 0.302 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366698431 954669222 /nfs/dbraw/zinc/66/92/22/954669222.db2.gz NBDVJULFPSFZMM-LSDHHAIUSA-N 1 3 322.457 0.302 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001366837457 954915320 /nfs/dbraw/zinc/91/53/20/954915320.db2.gz UMDMGAFDJWYYHI-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366854599 954939467 /nfs/dbraw/zinc/93/94/67/954939467.db2.gz SPZSYMWFFMXWTQ-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366854599 954939472 /nfs/dbraw/zinc/93/94/72/954939472.db2.gz SPZSYMWFFMXWTQ-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366875594 954976966 /nfs/dbraw/zinc/97/69/66/954976966.db2.gz WZYPXOIUNIDDBS-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366875594 954976979 /nfs/dbraw/zinc/97/69/79/954976979.db2.gz WZYPXOIUNIDDBS-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO CNC(=O)[C@H](C)N(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001366884120 954992823 /nfs/dbraw/zinc/99/28/23/954992823.db2.gz OXMDJGCBKYHNET-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001351509144 955318212 /nfs/dbraw/zinc/31/82/12/955318212.db2.gz CADBWGMTHZPMCO-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001351509144 955318216 /nfs/dbraw/zinc/31/82/16/955318216.db2.gz CADBWGMTHZPMCO-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCNC(=O)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1 ZINC001367163856 955418256 /nfs/dbraw/zinc/41/82/56/955418256.db2.gz BOALTUPDXKNYNL-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC1CC1 ZINC001367225814 955483315 /nfs/dbraw/zinc/48/33/15/955483315.db2.gz BWKKBTBLQJBKSQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC1CC1 ZINC001367225814 955483322 /nfs/dbraw/zinc/48/33/22/955483322.db2.gz BWKKBTBLQJBKSQ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC001353237801 955988895 /nfs/dbraw/zinc/98/88/95/955988895.db2.gz GCCACIZTIVXSIR-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO Cc1nncn1CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353317425 956015874 /nfs/dbraw/zinc/01/58/74/956015874.db2.gz WQLVAZVHALZHSR-QGZVFWFLSA-N 1 3 315.421 0.813 20 0 DCADHO Cc1nncn1CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001353317425 956015889 /nfs/dbraw/zinc/01/58/89/956015889.db2.gz WQLVAZVHALZHSR-QGZVFWFLSA-N 1 3 315.421 0.813 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2[NH2+]CC23CCCC3)CC1 ZINC001521187087 1017334333 /nfs/dbraw/zinc/33/43/33/1017334333.db2.gz FLCZTKRYGUOKQB-OAHLLOKOSA-N 1 3 308.470 0.662 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367418571 957791218 /nfs/dbraw/zinc/79/12/18/957791218.db2.gz XHXSFAVEDTWAAW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCc1cnnn1C ZINC001367433755 957804143 /nfs/dbraw/zinc/80/41/43/957804143.db2.gz AWFNPODQLXHCDQ-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCn2cccn2)CC[N@@H+]1C ZINC001367513656 957942490 /nfs/dbraw/zinc/94/24/90/957942490.db2.gz BQORGVFFMVSMPU-HUUCEWRRSA-N 1 3 307.442 0.614 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCn2cccn2)CC[N@H+]1C ZINC001367513656 957942514 /nfs/dbraw/zinc/94/25/14/957942514.db2.gz BQORGVFFMVSMPU-HUUCEWRRSA-N 1 3 307.442 0.614 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001367700401 958399000 /nfs/dbraw/zinc/39/90/00/958399000.db2.gz XDNZFWHTOFDQCT-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NCC1CC1 ZINC001367731929 958464889 /nfs/dbraw/zinc/46/48/89/958464889.db2.gz MTXXWAPBJUCBLJ-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NCC1CC1 ZINC001367731929 958464897 /nfs/dbraw/zinc/46/48/97/958464897.db2.gz MTXXWAPBJUCBLJ-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001367740588 958479303 /nfs/dbraw/zinc/47/93/03/958479303.db2.gz RLDIDARICKFXEB-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001367740588 958479311 /nfs/dbraw/zinc/47/93/11/958479311.db2.gz RLDIDARICKFXEB-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001367775896 958554231 /nfs/dbraw/zinc/55/42/31/958554231.db2.gz KHAYQJLLQQRMEH-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CCn1nncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367924299 958873974 /nfs/dbraw/zinc/87/39/74/958873974.db2.gz MWPVNZSPNBNARD-UKRRQHHQSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367924299 958873995 /nfs/dbraw/zinc/87/39/95/958873995.db2.gz MWPVNZSPNBNARD-UKRRQHHQSA-N 1 3 320.441 0.234 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H](C)CNC(=O)Cc2nc[nH]c2C)n1 ZINC001376857170 958992016 /nfs/dbraw/zinc/99/20/16/958992016.db2.gz OBBCMBYVMAUZEM-LBPRGKRZSA-N 1 3 318.425 0.868 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001367997015 959050181 /nfs/dbraw/zinc/05/01/81/959050181.db2.gz MADRPQQWLFYTGW-UONOGXRCSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001367997015 959050196 /nfs/dbraw/zinc/05/01/96/959050196.db2.gz MADRPQQWLFYTGW-UONOGXRCSA-N 1 3 322.453 0.376 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC(C)(C)C)C2)C1 ZINC001376917931 959137185 /nfs/dbraw/zinc/13/71/85/959137185.db2.gz GLEYBDZXEINRIN-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC(C)(C)C)C2)C1 ZINC001376917931 959137196 /nfs/dbraw/zinc/13/71/96/959137196.db2.gz GLEYBDZXEINRIN-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001491830294 959280652 /nfs/dbraw/zinc/28/06/52/959280652.db2.gz JLFZUPKFUFTBKB-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001491830294 959280668 /nfs/dbraw/zinc/28/06/68/959280668.db2.gz JLFZUPKFUFTBKB-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491858929 959317860 /nfs/dbraw/zinc/31/78/60/959317860.db2.gz MTLSFCROBYMJSI-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368155372 959344566 /nfs/dbraw/zinc/34/45/66/959344566.db2.gz DJMAKGYBTAZKDI-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)C23CC[NH+](CC2)C3)nn1C ZINC001492112452 959596139 /nfs/dbraw/zinc/59/61/39/959596139.db2.gz BFBZRQLZSFWAND-CYBMUJFWSA-N 1 3 319.453 0.809 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001492084017 959618266 /nfs/dbraw/zinc/61/82/66/959618266.db2.gz QHMZUVGOQDKUOI-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CC2CC2)C1)N(C)C ZINC001377173879 959624955 /nfs/dbraw/zinc/62/49/55/959624955.db2.gz HLAWEPFSOXDXMZ-RDJZCZTQSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[C@@H](C)CN1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368292276 959625212 /nfs/dbraw/zinc/62/52/12/959625212.db2.gz XPEGYMRJQRVEGY-HUUCEWRRSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[C@@H](C)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368292276 959625221 /nfs/dbraw/zinc/62/52/21/959625221.db2.gz XPEGYMRJQRVEGY-HUUCEWRRSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)N(C)C ZINC001368352714 959718483 /nfs/dbraw/zinc/71/84/83/959718483.db2.gz VDPRLIWTTGNNPX-FZKCQIBNSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)N(C)C ZINC001368352714 959718493 /nfs/dbraw/zinc/71/84/93/959718493.db2.gz VDPRLIWTTGNNPX-FZKCQIBNSA-N 1 3 311.470 0.924 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001368355004 959720874 /nfs/dbraw/zinc/72/08/74/959720874.db2.gz YQDYCTPYRUJYBI-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)N(C)C)N(C)C ZINC001368454893 959888449 /nfs/dbraw/zinc/88/84/49/959888449.db2.gz KQXQTDBPDOESPF-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001368655261 960127766 /nfs/dbraw/zinc/12/77/66/960127766.db2.gz CNJSZYRFVHMSMC-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCn2cncn2)CC1 ZINC001368658485 960131218 /nfs/dbraw/zinc/13/12/18/960131218.db2.gz WKQPMOFWEWRSGA-AWEZNQCLSA-N 1 3 320.441 0.343 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001368668475 960139625 /nfs/dbraw/zinc/13/96/25/960139625.db2.gz DQKIHVNGXLFFIZ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([N@H+](CCO)CC2CC2)C1 ZINC001368730066 960203647 /nfs/dbraw/zinc/20/36/47/960203647.db2.gz MIWMKQSETROAGP-HNNXBMFYSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([N@@H+](CCO)CC2CC2)C1 ZINC001368730066 960203656 /nfs/dbraw/zinc/20/36/56/960203656.db2.gz MIWMKQSETROAGP-HNNXBMFYSA-N 1 3 306.410 0.648 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001368747044 960222047 /nfs/dbraw/zinc/22/20/47/960222047.db2.gz DIADFLOSQZXAID-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001368747044 960222057 /nfs/dbraw/zinc/22/20/57/960222057.db2.gz DIADFLOSQZXAID-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CC(=O)NC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001377589212 960328438 /nfs/dbraw/zinc/32/84/38/960328438.db2.gz CAAGHNGRHFMDTJ-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[N@H+](CC(=O)NC)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001377589212 960328444 /nfs/dbraw/zinc/32/84/44/960328444.db2.gz CAAGHNGRHFMDTJ-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]([NH2+]CCc1ccnn1C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001368835626 960335306 /nfs/dbraw/zinc/33/53/06/960335306.db2.gz FYDUPTZZIISBHL-KGLIPLIRSA-N 1 3 321.469 0.930 20 0 DCADHO COCCOCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001316802016 960337245 /nfs/dbraw/zinc/33/72/45/960337245.db2.gz UZJVCBGGROMTTN-KFWWJZLASA-N 1 3 313.442 0.180 20 0 DCADHO COCCOCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001316802016 960337250 /nfs/dbraw/zinc/33/72/50/960337250.db2.gz UZJVCBGGROMTTN-KFWWJZLASA-N 1 3 313.442 0.180 20 0 DCADHO CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001363049300 960345171 /nfs/dbraw/zinc/34/51/71/960345171.db2.gz RVJJVXMITSAIQN-STQMWFEESA-N 1 3 315.462 0.068 20 0 DCADHO CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001363049300 960345177 /nfs/dbraw/zinc/34/51/77/960345177.db2.gz RVJJVXMITSAIQN-STQMWFEESA-N 1 3 315.462 0.068 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001416905073 960423214 /nfs/dbraw/zinc/42/32/14/960423214.db2.gz PKDMEBOLRAZBBL-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1n[nH]c(C)n1 ZINC001378248226 960424541 /nfs/dbraw/zinc/42/45/41/960424541.db2.gz DDNCSOWVFCJONM-RAIGVLPGSA-N 1 3 308.430 0.438 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1n[nH]c(C)n1 ZINC001378248226 960424546 /nfs/dbraw/zinc/42/45/46/960424546.db2.gz DDNCSOWVFCJONM-RAIGVLPGSA-N 1 3 308.430 0.438 20 0 DCADHO C[NH+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)N2CCCC2)C1 ZINC001377704223 960466856 /nfs/dbraw/zinc/46/68/56/960466856.db2.gz CQIFNMPIMUJSPP-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CCN(CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001377728141 960513537 /nfs/dbraw/zinc/51/35/37/960513537.db2.gz FKUYZOMBQMGUQU-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001377774815 960623216 /nfs/dbraw/zinc/62/32/16/960623216.db2.gz ZBXBVSJXSGGSGD-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001377813916 960715482 /nfs/dbraw/zinc/71/54/82/960715482.db2.gz IPRBKIMCQZTOIN-OLZOCXBDSA-N 1 3 320.437 0.372 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC001363257805 960717798 /nfs/dbraw/zinc/71/77/98/960717798.db2.gz CPMKXAIIPNGQKY-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC001363257805 960717811 /nfs/dbraw/zinc/71/78/11/960717811.db2.gz CPMKXAIIPNGQKY-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001377825313 960747933 /nfs/dbraw/zinc/74/79/33/960747933.db2.gz ZOTKRDIFGRRBNE-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001378500100 960877259 /nfs/dbraw/zinc/87/72/59/960877259.db2.gz JNJWQUBRSOBSQK-ILXRZTDVSA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001378554043 960996911 /nfs/dbraw/zinc/99/69/11/960996911.db2.gz RXQOUNSBPZPUDL-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCn1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001378655089 961203029 /nfs/dbraw/zinc/20/30/29/961203029.db2.gz YEVNAGOAJNSQRT-KGLIPLIRSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001378655089 961203047 /nfs/dbraw/zinc/20/30/47/961203047.db2.gz YEVNAGOAJNSQRT-KGLIPLIRSA-N 1 3 307.442 0.697 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H]1c1ccc(F)cc1 ZINC001549031026 1013235788 /nfs/dbraw/zinc/23/57/88/1013235788.db2.gz OZGDYYOSLLWMFR-SOUVJXGZSA-N 1 3 307.369 0.457 20 0 DCADHO CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001447075432 1013240358 /nfs/dbraw/zinc/24/03/58/1013240358.db2.gz IRSPYMGVACFACH-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)C2)nn1 ZINC001549047313 1013247681 /nfs/dbraw/zinc/24/76/81/1013247681.db2.gz OMKIFBPXKVSYPF-KGLIPLIRSA-N 1 3 318.425 0.290 20 0 DCADHO C[C@H](NCc1cccnc1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001378760908 961425183 /nfs/dbraw/zinc/42/51/83/961425183.db2.gz LXFKXOFOSUSVEI-GOEBONIOSA-N 1 3 320.437 0.739 20 0 DCADHO C[C@H](C[NH2+]Cc1cncn1C)N(C)C(=O)CN(C)C1CCC1 ZINC001378774046 961447588 /nfs/dbraw/zinc/44/75/88/961447588.db2.gz JZEHQSCEYAIWGV-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378846689 961595162 /nfs/dbraw/zinc/59/51/62/961595162.db2.gz UQNHOKQRINPFGX-UKRRQHHQSA-N 1 3 314.474 0.487 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001378848419 961598961 /nfs/dbraw/zinc/59/89/61/961598961.db2.gz WIPQWNKQDVUBPH-AAVRWANBSA-N 1 3 312.458 0.288 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001378875717 961644853 /nfs/dbraw/zinc/64/48/53/961644853.db2.gz DIRWQNDPXOPWOM-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001378875717 961644861 /nfs/dbraw/zinc/64/48/61/961644861.db2.gz DIRWQNDPXOPWOM-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001378980862 961800377 /nfs/dbraw/zinc/80/03/77/961800377.db2.gz NAOPVTHZTPWUKC-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001378980862 961800385 /nfs/dbraw/zinc/80/03/85/961800385.db2.gz NAOPVTHZTPWUKC-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cnnn1C ZINC001378994946 961828803 /nfs/dbraw/zinc/82/88/03/961828803.db2.gz DYWLCRFMZWAJET-DZGCQCFKSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cnnn1C ZINC001378994946 961828816 /nfs/dbraw/zinc/82/88/16/961828816.db2.gz DYWLCRFMZWAJET-DZGCQCFKSA-N 1 3 322.457 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001379721272 961849926 /nfs/dbraw/zinc/84/99/26/961849926.db2.gz VSVHUZYBMMRUPN-CZUORRHYSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](N[C@@H](C)C(N)=O)C(C)(C)C1 ZINC001379731586 961883350 /nfs/dbraw/zinc/88/33/50/961883350.db2.gz NNCIKCKEQCXGFU-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@@H](C)C(N)=O)C(C)(C)C1 ZINC001379731586 961883369 /nfs/dbraw/zinc/88/33/69/961883369.db2.gz NNCIKCKEQCXGFU-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N1CCCCC1 ZINC001379109464 962123935 /nfs/dbraw/zinc/12/39/35/962123935.db2.gz UGHRMODWQMTKNP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001379144014 962192650 /nfs/dbraw/zinc/19/26/50/962192650.db2.gz GMJCJFADMKFXIV-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001379151492 962205406 /nfs/dbraw/zinc/20/54/06/962205406.db2.gz VDJRUYZJHXWTRP-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001379247645 962457787 /nfs/dbraw/zinc/45/77/87/962457787.db2.gz NUJVCFTVJIVZNV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001496084366 962477406 /nfs/dbraw/zinc/47/74/06/962477406.db2.gz ZIJIJRNIJIBCOE-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001379282554 962534953 /nfs/dbraw/zinc/53/49/53/962534953.db2.gz IKISUKKPEDZHGO-KBPBESRZSA-N 1 3 310.446 0.301 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001447293444 1013352758 /nfs/dbraw/zinc/35/27/58/1013352758.db2.gz WZBAOQLBNMVZAB-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001380072840 962612292 /nfs/dbraw/zinc/61/22/92/962612292.db2.gz FXJURYZNEMGEAZ-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC001380109236 962687771 /nfs/dbraw/zinc/68/77/71/962687771.db2.gz XYCZNYNSZHTOKQ-CHWSQXEVSA-N 1 3 320.441 0.344 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001379384362 962788324 /nfs/dbraw/zinc/78/83/24/962788324.db2.gz UXUZUOCVKZDGSR-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CCC[NH+]1CCCC1 ZINC001379464929 962983496 /nfs/dbraw/zinc/98/34/96/962983496.db2.gz LXXFHOCNJXTLKP-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC1(C)CC[NH+](CCO)CC1 ZINC001380297071 963007744 /nfs/dbraw/zinc/00/77/44/963007744.db2.gz DRIGNPYYSIRXIY-CYBMUJFWSA-N 1 3 303.422 0.629 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001379574377 963200345 /nfs/dbraw/zinc/20/03/45/963200345.db2.gz VSGBFZGKSAPFQB-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001379574377 963200358 /nfs/dbraw/zinc/20/03/58/963200358.db2.gz VSGBFZGKSAPFQB-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001379586906 963225583 /nfs/dbraw/zinc/22/55/83/963225583.db2.gz KRZRRBHNSZUJMT-WCBMZHEXSA-N 1 3 322.331 0.668 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001379598343 963244018 /nfs/dbraw/zinc/24/40/18/963244018.db2.gz LMZDAVAORNBYBB-LBPRGKRZSA-N 1 3 308.430 0.583 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001380900274 963668055 /nfs/dbraw/zinc/66/80/55/963668055.db2.gz VDFMJQVEUCPHJX-UHFFFAOYSA-N 1 3 310.442 0.237 20 0 DCADHO C[C@H](C(=O)N1CCCC[C@H]1CNCC(N)=O)[NH+]1CCCCCC1 ZINC001381275156 963935611 /nfs/dbraw/zinc/93/56/11/963935611.db2.gz IKMKQAHJSTYIIO-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001368906851 964118293 /nfs/dbraw/zinc/11/82/93/964118293.db2.gz NUSHPUREXYBIEV-STQMWFEESA-N 1 3 314.474 0.521 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@H](CNCC(N)=O)C2CC2)cc1 ZINC001375260031 964181946 /nfs/dbraw/zinc/18/19/46/964181946.db2.gz ALFZEUPESXFWBE-OAHLLOKOSA-N 1 3 318.421 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001375277019 964199910 /nfs/dbraw/zinc/19/99/10/964199910.db2.gz JUHLEKQYIAQUAG-ZIAGYGMSSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)CCc1ccnn1C ZINC001368989908 964253195 /nfs/dbraw/zinc/25/31/95/964253195.db2.gz HBZMLDQIHKHWJJ-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CCc1ccnn1C ZINC001368989908 964253204 /nfs/dbraw/zinc/25/32/04/964253204.db2.gz HBZMLDQIHKHWJJ-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001447617506 1013486602 /nfs/dbraw/zinc/48/66/02/1013486602.db2.gz KOQUEJHSZGJUEW-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(CCn2cccn2)C1 ZINC001373682186 964473972 /nfs/dbraw/zinc/47/39/72/964473972.db2.gz YJPDWRGBKYNSNX-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO C[C@H](NC[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001369176665 964492129 /nfs/dbraw/zinc/49/21/29/964492129.db2.gz PVHMUPNAAXIDFP-IHRRRGAJSA-N 1 3 305.426 0.974 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(N)=O ZINC001373810612 964661652 /nfs/dbraw/zinc/66/16/52/964661652.db2.gz CTDRNNAASNUGPB-AWEZNQCLSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001375768807 964817761 /nfs/dbraw/zinc/81/77/61/964817761.db2.gz VNRUTSRWRPNMQT-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001375768807 964817765 /nfs/dbraw/zinc/81/77/65/964817765.db2.gz VNRUTSRWRPNMQT-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CN1CC[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)C1=O ZINC001375791134 964839073 /nfs/dbraw/zinc/83/90/73/964839073.db2.gz DTJXPHTWNUOREY-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369379908 964856957 /nfs/dbraw/zinc/85/69/57/964856957.db2.gz FJRVYPVRGPTNIH-CVEARBPZSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369379908 964856967 /nfs/dbraw/zinc/85/69/67/964856967.db2.gz FJRVYPVRGPTNIH-CVEARBPZSA-N 1 3 305.422 0.513 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)C[C@H]1C ZINC001369402934 964906233 /nfs/dbraw/zinc/90/62/33/964906233.db2.gz STOJMDCMZKDPCS-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccnn1C ZINC001374070659 964974337 /nfs/dbraw/zinc/97/43/37/964974337.db2.gz DUGUBDLEUJJBBC-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001369548477 965161965 /nfs/dbraw/zinc/16/19/65/965161965.db2.gz BZKCVJUCRWWRHR-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001369548477 965161974 /nfs/dbraw/zinc/16/19/74/965161974.db2.gz BZKCVJUCRWWRHR-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)NC1CC1)C(C)(C)C ZINC001369565326 965174895 /nfs/dbraw/zinc/17/48/95/965174895.db2.gz RSWLZIILZKZBQH-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001369619059 965218739 /nfs/dbraw/zinc/21/87/39/965218739.db2.gz FXUWJJNNROGGON-HSBZDZAISA-N 1 3 312.458 0.382 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001369619060 965219400 /nfs/dbraw/zinc/21/94/00/965219400.db2.gz FXUWJJNNROGGON-IYXRBSQSSA-N 1 3 312.458 0.382 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001369624661 965224516 /nfs/dbraw/zinc/22/45/16/965224516.db2.gz UIPJECDWSLTFNL-RUXDESIVSA-N 1 3 310.442 0.136 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001447819318 1013565355 /nfs/dbraw/zinc/56/53/55/1013565355.db2.gz INNKLCJMOPVLAH-JXQTWKCFSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cn(C)nn1 ZINC001374379153 965324946 /nfs/dbraw/zinc/32/49/46/965324946.db2.gz CEKZXWACGTXJTO-OCCSQVGLSA-N 1 3 308.430 0.093 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001376260869 965449040 /nfs/dbraw/zinc/44/90/40/965449040.db2.gz YATILYWDGAXYFK-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001376409954 965622381 /nfs/dbraw/zinc/62/23/81/965622381.db2.gz OGAVFSSXDCCRSY-RBSFLKMASA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)C(=O)CN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001376421181 965638305 /nfs/dbraw/zinc/63/83/05/965638305.db2.gz ZNPGFHGIQOLXHE-GASCZTMLSA-N 1 3 324.469 0.195 20 0 DCADHO CC[C@H](F)CNC[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001374614154 965640644 /nfs/dbraw/zinc/64/06/44/965640644.db2.gz GNDHWJVLJUIMPD-UONOGXRCSA-N 1 3 315.433 0.677 20 0 DCADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO)C1CCC1 ZINC001376426437 965640755 /nfs/dbraw/zinc/64/07/55/965640755.db2.gz SQEWOANNTHXRPI-VHRNVKJDSA-N 1 3 309.454 0.965 20 0 DCADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO)C1CCC1 ZINC001376426437 965640766 /nfs/dbraw/zinc/64/07/66/965640766.db2.gz SQEWOANNTHXRPI-VHRNVKJDSA-N 1 3 309.454 0.965 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN2CCC([NH2+]CC3CC3)CC2)C1 ZINC001376442258 965658887 /nfs/dbraw/zinc/65/88/87/965658887.db2.gz ZNSQHAHRURPEIC-HNNXBMFYSA-N 1 3 322.497 0.908 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCCN2CCCC2=O)C1 ZINC001370020178 965701878 /nfs/dbraw/zinc/70/18/78/965701878.db2.gz SIYYUQSECYHHSY-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCCC2)C1)N(C)C ZINC001376492148 965733090 /nfs/dbraw/zinc/73/30/90/965733090.db2.gz SYFSSBRPIDVLQO-QLFBSQMISA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001374713054 965801888 /nfs/dbraw/zinc/80/18/88/965801888.db2.gz NBSVVCKXXWVYKL-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001374728154 965826617 /nfs/dbraw/zinc/82/66/17/965826617.db2.gz ISIQNRJPYRPPAT-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001374728154 965826622 /nfs/dbraw/zinc/82/66/22/965826622.db2.gz ISIQNRJPYRPPAT-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)COC)N(C)C ZINC001376604914 965882140 /nfs/dbraw/zinc/88/21/40/965882140.db2.gz RVWLOSHUBPMGPU-QLFBSQMISA-N 1 3 315.458 0.305 20 0 DCADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001376609951 965887245 /nfs/dbraw/zinc/88/72/45/965887245.db2.gz HOQPZZDPRHSTAG-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001376616810 965897431 /nfs/dbraw/zinc/89/74/31/965897431.db2.gz YXMKSBDQIGRRRB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)C(N)=O)CC1 ZINC001376620302 965900338 /nfs/dbraw/zinc/90/03/38/965900338.db2.gz VDSPOSQUUMDZCP-JHJVBQTASA-N 1 3 321.425 0.399 20 0 DCADHO C[C@@H]([NH2+]Cc1cncn1C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447872107 1013614329 /nfs/dbraw/zinc/61/43/29/1013614329.db2.gz RXHTXUOAQQBSQG-OLZOCXBDSA-N 1 3 307.442 0.887 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001376749640 966114769 /nfs/dbraw/zinc/11/47/69/966114769.db2.gz NLNFOTRDFSWQAZ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001374905174 966119684 /nfs/dbraw/zinc/11/96/84/966119684.db2.gz KJHZJQFEZMLSAT-YNEHKIRRSA-N 1 3 314.474 0.724 20 0 DCADHO CCc1nc([C@@H](C)NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001374932640 966155038 /nfs/dbraw/zinc/15/50/38/966155038.db2.gz ZODPUBPNOJPYKV-NWDGAFQWSA-N 1 3 322.457 0.864 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)C1=O ZINC001370486401 966177494 /nfs/dbraw/zinc/17/74/94/966177494.db2.gz VCUQOTQCCZVBKX-UMVBOHGHSA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)nnn2CC)C1)N(C)C ZINC001370486456 966177782 /nfs/dbraw/zinc/17/77/82/966177782.db2.gz DUOWUXZOBIXHQW-MGPQQGTHSA-N 1 3 322.457 0.683 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001370545189 966231082 /nfs/dbraw/zinc/23/10/82/966231082.db2.gz GJICLHJQVPXKAM-YDHLFZDLSA-N 1 3 310.442 0.088 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001370641104 966318408 /nfs/dbraw/zinc/31/84/08/966318408.db2.gz UTCHAMBOPBPLMO-VNHYZAJKSA-N 1 3 322.453 0.328 20 0 DCADHO CN(CC(=O)NC1(C[NH2+]CC(N)=O)CCCCC1)C1CCC1 ZINC001381722553 966651528 /nfs/dbraw/zinc/65/15/28/966651528.db2.gz KKAHRTHQWYVOGL-UHFFFAOYSA-N 1 3 310.442 0.365 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21)N(C)C ZINC001371035868 966685349 /nfs/dbraw/zinc/68/53/49/966685349.db2.gz RBMOTGWPXNNXTH-RBGFHDKUSA-N 1 3 309.454 0.656 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21)N(C)C ZINC001371035868 966685354 /nfs/dbraw/zinc/68/53/54/966685354.db2.gz RBMOTGWPXNNXTH-RBGFHDKUSA-N 1 3 309.454 0.656 20 0 DCADHO CN(CC(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001371209353 966814732 /nfs/dbraw/zinc/81/47/32/966814732.db2.gz AHSPEIKVCCBTPJ-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccnn1C ZINC001382091887 966931733 /nfs/dbraw/zinc/93/17/33/966931733.db2.gz NUHPCGJOMYDEDS-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001382113753 966950547 /nfs/dbraw/zinc/95/05/47/966950547.db2.gz BQPVYHDTYIZPHL-VXGBXAGGSA-N 1 3 300.447 0.275 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001371387548 966955331 /nfs/dbraw/zinc/95/53/31/966955331.db2.gz QKBIGCJJMZKMPA-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCCNC1=O ZINC001382130058 966966626 /nfs/dbraw/zinc/96/66/26/966966626.db2.gz WFXVQROTZFKVTF-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001382221374 967088502 /nfs/dbraw/zinc/08/85/02/967088502.db2.gz WFQHTDXGSGGTGS-AWEZNQCLSA-N 1 3 311.470 0.974 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001371538044 967094804 /nfs/dbraw/zinc/09/48/04/967094804.db2.gz RIIBRPOOEPOSCN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001371538044 967094815 /nfs/dbraw/zinc/09/48/15/967094815.db2.gz RIIBRPOOEPOSCN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001371575118 967135004 /nfs/dbraw/zinc/13/50/04/967135004.db2.gz YJLBIVXZPIWQMV-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1ccccc1C[NH2+][C@H](CO)CNC(=O)CN(C)C(C)C ZINC001382281592 967162202 /nfs/dbraw/zinc/16/22/02/967162202.db2.gz JBHXYGBWTFCRJR-INIZCTEOSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CCC[C@@H]1C ZINC001430738063 1013703710 /nfs/dbraw/zinc/70/37/10/1013703710.db2.gz IUXXPMAKWCYJNA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C[C@H]1C ZINC001382311610 967200756 /nfs/dbraw/zinc/20/07/56/967200756.db2.gz KQPFXMIYKOOZJJ-HIFRSBDPSA-N 1 3 307.442 0.839 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC2CC2)C[C@@H]1C ZINC001382318435 967211763 /nfs/dbraw/zinc/21/17/63/967211763.db2.gz SBBOEDAARSSUFT-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001382460589 967406255 /nfs/dbraw/zinc/40/62/55/967406255.db2.gz NLLSPBPFDGZELM-KGLIPLIRSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001382460589 967406261 /nfs/dbraw/zinc/40/62/61/967406261.db2.gz NLLSPBPFDGZELM-KGLIPLIRSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001372629103 968194514 /nfs/dbraw/zinc/19/45/14/968194514.db2.gz XLMNUBGKRXWZMO-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001448168736 1013797195 /nfs/dbraw/zinc/79/71/95/1013797195.db2.gz GKNHRQMUDXIXFH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001372988938 968601441 /nfs/dbraw/zinc/60/14/41/968601441.db2.gz VDYIYRUIOBNCDG-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1=O ZINC001372994014 968607807 /nfs/dbraw/zinc/60/78/07/968607807.db2.gz SWEBIKJJYJYCHV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1=O ZINC001372994014 968607812 /nfs/dbraw/zinc/60/78/12/968607812.db2.gz SWEBIKJJYJYCHV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@H]1CCCN1C ZINC001373573278 969246940 /nfs/dbraw/zinc/24/69/40/969246940.db2.gz NHYPJWZNEONUGN-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001373575681 969249958 /nfs/dbraw/zinc/24/99/58/969249958.db2.gz YXYKNLIPQRFAKJ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001373575681 969249962 /nfs/dbraw/zinc/24/99/62/969249962.db2.gz YXYKNLIPQRFAKJ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001448601612 1013963235 /nfs/dbraw/zinc/96/32/35/1013963235.db2.gz ICRWMXWJIDDQHS-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001448598821 1013963310 /nfs/dbraw/zinc/96/33/10/1013963310.db2.gz XDAKUZZITXEPCT-RISCZKNCSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001448670611 1013990115 /nfs/dbraw/zinc/99/01/15/1013990115.db2.gz AUWZRLUANPUMPG-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN(C)C(=O)c1ccccc1CC[NH+](C)C)NCC(N)=O ZINC001448710672 1014007131 /nfs/dbraw/zinc/00/71/31/1014007131.db2.gz JKGCNEYUMOZSQF-ZDUSSCGKSA-N 1 3 320.437 0.326 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001448763922 1014029475 /nfs/dbraw/zinc/02/94/75/1014029475.db2.gz AFZOGBPLUGRLDC-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001448763922 1014029476 /nfs/dbraw/zinc/02/94/76/1014029476.db2.gz AFZOGBPLUGRLDC-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001448982247 1014117680 /nfs/dbraw/zinc/11/76/80/1014117680.db2.gz XQDITZPJCVCRKY-GXTWGEPZSA-N 1 3 310.442 0.184 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449023514 1014141347 /nfs/dbraw/zinc/14/13/47/1014141347.db2.gz SMBMVRGOLJZJAI-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001549166427 1014157905 /nfs/dbraw/zinc/15/79/05/1014157905.db2.gz ZLHKSYNBDLQNTJ-HOTGVXAUSA-N 1 3 307.438 0.528 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)C2)nn1 ZINC001549170962 1014161081 /nfs/dbraw/zinc/16/10/81/1014161081.db2.gz YIEHNLWXOJSXLT-YCPHGPKFSA-N 1 3 318.425 0.290 20 0 DCADHO Cn1ccc(CNC[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001449061232 1014161903 /nfs/dbraw/zinc/16/19/03/1014161903.db2.gz QLXAZDIHKMBIGP-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CC[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549507373 1014278246 /nfs/dbraw/zinc/27/82/46/1014278246.db2.gz LKWQSBXSZHJTMV-HIFRSBDPSA-N 1 3 320.441 0.680 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001522694144 1014305656 /nfs/dbraw/zinc/30/56/56/1014305656.db2.gz BWMLWZXSHHSIOR-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)c3cccc4c3CNC4)C[C@H]2[NH3+])c1 ZINC001549734285 1014432096 /nfs/dbraw/zinc/43/20/96/1014432096.db2.gz INQJHMGZUDKVGP-HUUCEWRRSA-N 1 3 311.389 0.590 20 0 DCADHO O=C(Nc1cn[nH]c1[C@H]1CC[NH2+]C1)[C@H]1CCn2ccnc2C1 ZINC001549738148 1014435313 /nfs/dbraw/zinc/43/53/13/1014435313.db2.gz RQQOVVOIGFNZCM-QWRGUYRKSA-N 1 3 300.366 0.884 20 0 DCADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC001449368481 1014440595 /nfs/dbraw/zinc/44/05/95/1014440595.db2.gz RMDRZRCVBNCGJO-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001449380920 1014448491 /nfs/dbraw/zinc/44/84/91/1014448491.db2.gz DMWDWKPMAAQAOV-YMAMQOFZSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001550122514 1014587541 /nfs/dbraw/zinc/58/75/41/1014587541.db2.gz HXSOXIJMQJEYTJ-ZIAGYGMSSA-N 1 3 318.425 0.511 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001550121867 1014588069 /nfs/dbraw/zinc/58/80/69/1014588069.db2.gz FFHANCGGZQMHOZ-LSDHHAIUSA-N 1 3 318.425 0.511 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC001550200322 1014626014 /nfs/dbraw/zinc/62/60/14/1014626014.db2.gz HPWJZNLRRCMZSD-MCIONIFRSA-N 1 3 320.437 0.069 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550239669 1014637804 /nfs/dbraw/zinc/63/78/04/1014637804.db2.gz OQGUHVZDFQGJDQ-ZBFHGGJFSA-N 1 3 310.442 0.078 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001550366905 1014683711 /nfs/dbraw/zinc/68/37/11/1014683711.db2.gz UPLYFZWCBVBVBX-SJORKVTESA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001550366905 1014683717 /nfs/dbraw/zinc/68/37/17/1014683717.db2.gz UPLYFZWCBVBVBX-SJORKVTESA-N 1 3 320.481 0.709 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001449927370 1014794315 /nfs/dbraw/zinc/79/43/15/1014794315.db2.gz TYWCKGOJPWBQEW-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449927370 1014794326 /nfs/dbraw/zinc/79/43/26/1014794326.db2.gz TYWCKGOJPWBQEW-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO NC(=O)[C@]12CCC[C@@H]1CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC001551401116 1015037610 /nfs/dbraw/zinc/03/76/10/1015037610.db2.gz GCCYJYQJMJEEQC-WWGRRREGSA-N 1 3 318.425 0.290 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)NCC2C[NH2+]C2)CC1 ZINC001551498943 1015118652 /nfs/dbraw/zinc/11/86/52/1015118652.db2.gz VKCPGGSCTQONDD-UHFFFAOYSA-N 1 3 310.442 0.539 20 0 DCADHO CN1CCN(CCNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC1(C)C ZINC001551580312 1015145755 /nfs/dbraw/zinc/14/57/55/1015145755.db2.gz KLENFHSAGQCAQD-UYJPIKCFSA-N 1 3 309.458 0.191 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CCO1 ZINC001551584879 1015147466 /nfs/dbraw/zinc/14/74/66/1015147466.db2.gz RWUOQYDLRWDIKR-WJEHIRDRSA-N 1 3 310.442 0.618 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@@H]1C ZINC001384747351 985788215 /nfs/dbraw/zinc/78/82/15/985788215.db2.gz OPJPYJMEDDFSSJ-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@@H]1C ZINC001384747351 985788223 /nfs/dbraw/zinc/78/82/23/985788223.db2.gz OPJPYJMEDDFSSJ-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385623987 986480238 /nfs/dbraw/zinc/48/02/38/986480238.db2.gz VXYNRDJEFCNJKG-DZGCQCFKSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001386005590 986748649 /nfs/dbraw/zinc/74/86/49/986748649.db2.gz DFLGWGOSTOZSLG-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001386005590 986748655 /nfs/dbraw/zinc/74/86/55/986748655.db2.gz DFLGWGOSTOZSLG-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001386041746 986775822 /nfs/dbraw/zinc/77/58/22/986775822.db2.gz ONPDVYUUWVPUEK-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001386293642 987048320 /nfs/dbraw/zinc/04/83/20/987048320.db2.gz QXVQCOSQJVKGJI-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001552188176 1015311457 /nfs/dbraw/zinc/31/14/57/1015311457.db2.gz UGMFHFZODXOFIW-ZMSDIMECSA-N 1 3 324.469 0.868 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001387144900 987658946 /nfs/dbraw/zinc/65/89/46/987658946.db2.gz NWAJGZHPGHGNFP-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N(C)[C@H]2CCN(C)C2)cnn1C ZINC001552215791 1015332653 /nfs/dbraw/zinc/33/26/53/1015332653.db2.gz LWYCONLOSSMLHK-AEGPPILISA-N 1 3 305.426 0.194 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001450765836 1015346396 /nfs/dbraw/zinc/34/63/96/1015346396.db2.gz XZXLFBDNIIHUPO-ILXRZTDVSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001387787514 988150752 /nfs/dbraw/zinc/15/07/52/988150752.db2.gz GSJAADDGJQERMN-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001552311197 1015384247 /nfs/dbraw/zinc/38/42/47/1015384247.db2.gz JOGRSIZWXXXUCO-KLHDSHLOSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001388767931 988571492 /nfs/dbraw/zinc/57/14/92/988571492.db2.gz VISRPMHFYUPMEU-RDBSUJKOSA-N 1 3 312.458 0.419 20 0 DCADHO CN1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001552432781 1015430179 /nfs/dbraw/zinc/43/01/79/1015430179.db2.gz NDFYTUDVILZEDG-CYBMUJFWSA-N 1 3 306.414 0.417 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001389231197 989007913 /nfs/dbraw/zinc/00/79/13/989007913.db2.gz RZMOBDAMXBDDLK-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001389390686 989192067 /nfs/dbraw/zinc/19/20/67/989192067.db2.gz HYGUBRXDQSWUEN-ZFWWWQNUSA-N 1 3 314.474 0.534 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001527397855 1015461009 /nfs/dbraw/zinc/46/10/09/1015461009.db2.gz VSCWUDRHWLIUMN-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001389629903 989444941 /nfs/dbraw/zinc/44/49/41/989444941.db2.gz WTKHCUCZIOHLRB-CQSZACIVSA-N 1 3 324.469 0.609 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001389629903 989444945 /nfs/dbraw/zinc/44/49/45/989444945.db2.gz WTKHCUCZIOHLRB-CQSZACIVSA-N 1 3 324.469 0.609 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001389636942 989452135 /nfs/dbraw/zinc/45/21/35/989452135.db2.gz CCDYTTUEEZNYPU-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001389636942 989452139 /nfs/dbraw/zinc/45/21/39/989452139.db2.gz CCDYTTUEEZNYPU-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN(C)C(C)C ZINC001389739571 989532235 /nfs/dbraw/zinc/53/22/35/989532235.db2.gz NZVLCIQVDSCBTP-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN(C)C(C)C ZINC001389739571 989532244 /nfs/dbraw/zinc/53/22/44/989532244.db2.gz NZVLCIQVDSCBTP-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(Cc1n[nH]c([C@@H]2C[C@H](F)CN2)n1)C(=O)[C@@H]1CCCC[NH2+]C1 ZINC001552679220 1015488052 /nfs/dbraw/zinc/48/80/52/1015488052.db2.gz DTJGUNHHHBMHMX-WOPDTQHZSA-N 1 3 324.404 0.525 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)N(C)C ZINC001389792493 989582368 /nfs/dbraw/zinc/58/23/68/989582368.db2.gz VVPDECNQOBDDTN-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)CCN1 ZINC001552694029 1015494268 /nfs/dbraw/zinc/49/42/68/1015494268.db2.gz SNZAEPUBRHVMOC-YDHLFZDLSA-N 1 3 320.441 0.791 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CCN1 ZINC001552694026 1015495172 /nfs/dbraw/zinc/49/51/72/1015495172.db2.gz SNZAEPUBRHVMOC-IPYPFGDCSA-N 1 3 320.441 0.791 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC001389906794 989675383 /nfs/dbraw/zinc/67/53/83/989675383.db2.gz CQNDRSXFHNZCDH-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001389999202 989738537 /nfs/dbraw/zinc/73/85/37/989738537.db2.gz OGAVFSSXDCCRSY-ZNMIVQPWSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001390407617 990070836 /nfs/dbraw/zinc/07/08/36/990070836.db2.gz HPIPTTXYSHYRPP-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1cnn(C)c1 ZINC001390445660 990111073 /nfs/dbraw/zinc/11/10/73/990111073.db2.gz XZMVPCAWHHIXNI-ZDUSSCGKSA-N 1 3 305.426 0.643 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC1CCCC1 ZINC001390471070 990129702 /nfs/dbraw/zinc/12/97/02/990129702.db2.gz SJHGASOFQLNNFT-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCCC1 ZINC001390471901 990130114 /nfs/dbraw/zinc/13/01/14/990130114.db2.gz AQXMZWUWELZYHC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390503842 990157321 /nfs/dbraw/zinc/15/73/21/990157321.db2.gz FRALIDKMLDTRDE-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC001390532234 990179377 /nfs/dbraw/zinc/17/93/77/990179377.db2.gz GXOUWPAIWOGMET-ZDUSSCGKSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001390593572 990229372 /nfs/dbraw/zinc/22/93/72/990229372.db2.gz PJKDQZSCQMQTKC-UKRRQHHQSA-N 1 3 312.458 0.099 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001552955781 1015575795 /nfs/dbraw/zinc/57/57/95/1015575795.db2.gz JTVPVHWEXQWPIE-TZMCWYRMSA-N 1 3 321.429 0.178 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001552955781 1015575806 /nfs/dbraw/zinc/57/58/06/1015575806.db2.gz JTVPVHWEXQWPIE-TZMCWYRMSA-N 1 3 321.429 0.178 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC)CC1)N(C)C ZINC001391240878 990693167 /nfs/dbraw/zinc/69/31/67/990693167.db2.gz FZWVEHUSIVUUSN-JSGCOSHPSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC)CC1)N(C)C ZINC001391240876 990693068 /nfs/dbraw/zinc/69/30/68/990693068.db2.gz FZWVEHUSIVUUSN-GXTWGEPZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(=O)N1CCO[C@H]2CN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001553014198 1015592135 /nfs/dbraw/zinc/59/21/35/1015592135.db2.gz MCNRZBCFXKGUMT-VEDBGLOESA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)(C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC001391494828 990893384 /nfs/dbraw/zinc/89/33/84/990893384.db2.gz SLZACZDUSSXQJD-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C[C@H](C)O)C1)[NH+]1CCCCC1 ZINC001391521857 990912829 /nfs/dbraw/zinc/91/28/29/990912829.db2.gz FTLKKZUPLZRRRM-HOCLYGCPSA-N 1 3 311.470 0.926 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391559837 990949981 /nfs/dbraw/zinc/94/99/81/990949981.db2.gz DKXRGKVUPGOIPS-AWEZNQCLSA-N 1 3 307.442 0.495 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001391696591 991107366 /nfs/dbraw/zinc/10/73/66/991107366.db2.gz QEFRUBKMJKMARI-CYBMUJFWSA-N 1 3 308.430 0.247 20 0 DCADHO CC[C@@H]([NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1)C(N)=O ZINC001391764026 991166144 /nfs/dbraw/zinc/16/61/44/991166144.db2.gz APQBFKRCPGHFLJ-CQSZACIVSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H]([NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1)C(N)=O ZINC001391774743 991173020 /nfs/dbraw/zinc/17/30/20/991173020.db2.gz VZNFMPLDHHXEFM-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+]1CCCCCC1 ZINC001391861184 991232430 /nfs/dbraw/zinc/23/24/30/991232430.db2.gz DUUUQDQRNKFRNZ-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccnn1C)C(C)C)N(C)C ZINC001392241910 991646381 /nfs/dbraw/zinc/64/63/81/991646381.db2.gz FGWSAICPNZMIOQ-GJZGRUSLSA-N 1 3 309.458 0.991 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001392375509 991839791 /nfs/dbraw/zinc/83/97/91/991839791.db2.gz VZPIJJAWKLXDLZ-AAVRWANBSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001392375509 991839798 /nfs/dbraw/zinc/83/97/98/991839798.db2.gz VZPIJJAWKLXDLZ-AAVRWANBSA-N 1 3 312.458 0.288 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)NCC)C1 ZINC001392502958 992017145 /nfs/dbraw/zinc/01/71/45/992017145.db2.gz KRFBSTVOXWWOKV-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)NCC)C1 ZINC001392502958 992017152 /nfs/dbraw/zinc/01/71/52/992017152.db2.gz KRFBSTVOXWWOKV-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001392573981 992113363 /nfs/dbraw/zinc/11/33/63/992113363.db2.gz FZKJKZYAEWOHMO-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001392573981 992113370 /nfs/dbraw/zinc/11/33/70/992113370.db2.gz FZKJKZYAEWOHMO-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001392618466 992165788 /nfs/dbraw/zinc/16/57/88/992165788.db2.gz KQWPYIUBLOSFHO-SWLSCSKDSA-N 1 3 318.421 0.345 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001392618469 992166165 /nfs/dbraw/zinc/16/61/65/992166165.db2.gz KQWPYIUBLOSFHO-WFASDCNBSA-N 1 3 318.421 0.345 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CC1)C(N)=O ZINC001392793985 992402009 /nfs/dbraw/zinc/40/20/09/992402009.db2.gz PRFCCVSZFMPUKD-YPMHNXCESA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(=O)N(C)C ZINC001392794280 992402423 /nfs/dbraw/zinc/40/24/23/992402423.db2.gz MPZDUVIHORPJGC-OCCSQVGLSA-N 1 3 324.469 0.289 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001393052432 992652980 /nfs/dbraw/zinc/65/29/80/992652980.db2.gz SKRBPINNJOLVJY-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001393357964 992913959 /nfs/dbraw/zinc/91/39/59/992913959.db2.gz VXHKGUIDJBAYFS-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(=O)NC ZINC001393401776 992949418 /nfs/dbraw/zinc/94/94/18/992949418.db2.gz YLFUSFMHWYTAPM-QDMKHBRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(=O)NC ZINC001393401776 992949423 /nfs/dbraw/zinc/94/94/23/992949423.db2.gz YLFUSFMHWYTAPM-QDMKHBRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[NH2+][C@]1(CO)CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001393696849 993185184 /nfs/dbraw/zinc/18/51/84/993185184.db2.gz OCWLQYHJWZEKES-NVXWUHKLSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001393739383 993213817 /nfs/dbraw/zinc/21/38/17/993213817.db2.gz HVPSZIHOSVHKOH-ZIAGYGMSSA-N 1 3 312.458 0.288 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CN(C(=O)CCC[NH+](C)C)C2)CCC1 ZINC001394023368 993415267 /nfs/dbraw/zinc/41/52/67/993415267.db2.gz YGEYXFSQUYCKOX-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCn1cncn1 ZINC001394071864 993456214 /nfs/dbraw/zinc/45/62/14/993456214.db2.gz WKWYIFSHFUIOCP-HIFRSBDPSA-N 1 3 320.441 0.056 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)CCn1cncn1 ZINC001394126633 993498136 /nfs/dbraw/zinc/49/81/36/993498136.db2.gz WEXBZXKWWQVGFZ-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CCn1cncn1 ZINC001394126633 993498142 /nfs/dbraw/zinc/49/81/42/993498142.db2.gz WEXBZXKWWQVGFZ-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N(C)C1CC1 ZINC001394458185 993723805 /nfs/dbraw/zinc/72/38/05/993723805.db2.gz CLFHDMJWGATFQD-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001394461874 993729429 /nfs/dbraw/zinc/72/94/29/993729429.db2.gz HJIDGAIAWXNDJM-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001394492464 993766719 /nfs/dbraw/zinc/76/67/19/993766719.db2.gz WSHZEHVTXIPHJL-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001394539074 993810745 /nfs/dbraw/zinc/81/07/45/993810745.db2.gz ISUSFBYBHDWKJA-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCc2ccccc2)C1 ZINC001394635636 993944690 /nfs/dbraw/zinc/94/46/90/993944690.db2.gz MNWBQYNIVVOHSQ-NVXWUHKLSA-N 1 3 319.449 0.638 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccnn2C)C1)N(C)C ZINC001399959504 993989351 /nfs/dbraw/zinc/98/93/51/993989351.db2.gz XZJZEAPSZVGRDU-GOEBONIOSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccnn2C)C1)N(C)C ZINC001399959504 993989363 /nfs/dbraw/zinc/98/93/63/993989363.db2.gz XZJZEAPSZVGRDU-GOEBONIOSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)[C@H]1C ZINC001394669026 993996725 /nfs/dbraw/zinc/99/67/25/993996725.db2.gz DQEBRBPBGOATSK-HUUCEWRRSA-N 1 3 307.442 0.802 20 0 DCADHO CC[C@@H](F)CNC[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001394762358 994116110 /nfs/dbraw/zinc/11/61/10/994116110.db2.gz YUEJKJKOQBLOOO-HUUCEWRRSA-N 1 3 317.449 0.875 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001400063291 994121251 /nfs/dbraw/zinc/12/12/51/994121251.db2.gz FLFYJXFMTPNKHD-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001400063291 994121262 /nfs/dbraw/zinc/12/12/62/994121262.db2.gz FLFYJXFMTPNKHD-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO COC[C@H](O)CN1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001400612250 994705812 /nfs/dbraw/zinc/70/58/12/994705812.db2.gz HWQQTVUVRPNPNN-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@H](O)CN1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001400612250 994705824 /nfs/dbraw/zinc/70/58/24/994705824.db2.gz HWQQTVUVRPNPNN-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001507010677 1015885425 /nfs/dbraw/zinc/88/54/25/1015885425.db2.gz JUPYSODNENNQKX-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001395596968 994788403 /nfs/dbraw/zinc/78/84/03/994788403.db2.gz SJVXGNJTBZZWRF-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001395596968 994788412 /nfs/dbraw/zinc/78/84/12/994788412.db2.gz SJVXGNJTBZZWRF-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@H](C)C(N)=O ZINC001400853786 995010399 /nfs/dbraw/zinc/01/03/99/995010399.db2.gz KLFZYLCVMQTMGN-DOMZBBRYSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(C)(C)C ZINC001400865177 995021702 /nfs/dbraw/zinc/02/17/02/995021702.db2.gz VMIPELKCUYKRIJ-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC1CC1)N(C)C ZINC001401087345 995164389 /nfs/dbraw/zinc/16/43/89/995164389.db2.gz XKXKVRFTIXSEKV-YUELXQCFSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001396376587 995352360 /nfs/dbraw/zinc/35/23/60/995352360.db2.gz YTHHHTGXDONWRX-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C ZINC001396698796 995547291 /nfs/dbraw/zinc/54/72/91/995547291.db2.gz ACQPDDAEMQBTKF-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001492854249 995647785 /nfs/dbraw/zinc/64/77/85/995647785.db2.gz RMAGPCYEPDNATL-ZDUSSCGKSA-N 1 3 309.414 0.310 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001492854249 995647796 /nfs/dbraw/zinc/64/77/96/995647796.db2.gz RMAGPCYEPDNATL-ZDUSSCGKSA-N 1 3 309.414 0.310 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)C1=O ZINC001396923363 995687030 /nfs/dbraw/zinc/68/70/30/995687030.db2.gz JYUPHFIWZAQKGF-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001396934210 995690558 /nfs/dbraw/zinc/69/05/58/995690558.db2.gz FIHOZWHDNKFTBW-ZBFHGGJFSA-N 1 3 324.469 0.386 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001397167956 995837057 /nfs/dbraw/zinc/83/70/57/995837057.db2.gz FTGPWFUBZNTQLL-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](CNCC(=O)N(C)C)C1 ZINC001397169425 995838855 /nfs/dbraw/zinc/83/88/55/995838855.db2.gz KVVRQEYSHBHYKV-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](CNCC(=O)N(C)C)C1 ZINC001397169425 995838858 /nfs/dbraw/zinc/83/88/58/995838858.db2.gz KVVRQEYSHBHYKV-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001397489138 996027150 /nfs/dbraw/zinc/02/71/50/996027150.db2.gz NXBWGSFUBNQSBC-TZMCWYRMSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001398118264 996371475 /nfs/dbraw/zinc/37/14/75/996371475.db2.gz RGYPUQDEIPJEJH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001398118264 996371478 /nfs/dbraw/zinc/37/14/78/996371478.db2.gz RGYPUQDEIPJEJH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001398216447 996414047 /nfs/dbraw/zinc/41/40/47/996414047.db2.gz QIQMRHGAXPTEJE-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398534508 996558450 /nfs/dbraw/zinc/55/84/50/996558450.db2.gz PDMDZXNASSDKPN-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502738884 1016048941 /nfs/dbraw/zinc/04/89/41/1016048941.db2.gz UXAOGCJELYXETM-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001398702644 996648577 /nfs/dbraw/zinc/64/85/77/996648577.db2.gz WJHFXQWBUBNLOW-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001398702644 996648579 /nfs/dbraw/zinc/64/85/79/996648579.db2.gz WJHFXQWBUBNLOW-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001398762621 996677484 /nfs/dbraw/zinc/67/74/84/996677484.db2.gz JBTBIADDGKKKGP-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)[C@@H](C)C1 ZINC001502754212 1016056591 /nfs/dbraw/zinc/05/65/91/1016056591.db2.gz MNBFRSMWTXELFE-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001398931530 996757268 /nfs/dbraw/zinc/75/72/68/996757268.db2.gz XIJRXFPONZIJOS-JSGCOSHPSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001398931530 996757270 /nfs/dbraw/zinc/75/72/70/996757270.db2.gz XIJRXFPONZIJOS-JSGCOSHPSA-N 1 3 310.442 0.232 20 0 DCADHO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N[C@H]1CCNC1=O ZINC001399030054 996857977 /nfs/dbraw/zinc/85/79/77/996857977.db2.gz QASFOHPXDZUJIO-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N[C@H]1CCNC1=O ZINC001399030054 996857989 /nfs/dbraw/zinc/85/79/89/996857989.db2.gz QASFOHPXDZUJIO-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)CC[NH+](C)C ZINC001399046318 996884146 /nfs/dbraw/zinc/88/41/46/996884146.db2.gz WCRZIQOXWVFIIH-LBPRGKRZSA-N 1 3 309.414 0.223 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cnn(C)c1 ZINC001399094838 996952620 /nfs/dbraw/zinc/95/26/20/996952620.db2.gz LHIWEFWCGQVLEG-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CCCC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(N)=O ZINC001404311714 996958987 /nfs/dbraw/zinc/95/89/87/996958987.db2.gz BYQBXOWQFBLXIA-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](NCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001404321684 996975539 /nfs/dbraw/zinc/97/55/39/996975539.db2.gz NRZVKQXJRUJJEF-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001404350364 997023621 /nfs/dbraw/zinc/02/36/21/997023621.db2.gz WHIIJGIOBWVTNE-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001399169381 997047630 /nfs/dbraw/zinc/04/76/30/997047630.db2.gz DRCNMDPBRCEQQP-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404549127 997229965 /nfs/dbraw/zinc/22/99/65/997229965.db2.gz NSKPIHFYPBVKSV-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)C[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001404552275 997230577 /nfs/dbraw/zinc/23/05/77/997230577.db2.gz NGVYPMWZBJTAQY-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001399388405 997299911 /nfs/dbraw/zinc/29/99/11/997299911.db2.gz HQIDZWZOXCHDQT-KBPBESRZSA-N 1 3 308.430 0.104 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001405301155 998081161 /nfs/dbraw/zinc/08/11/61/998081161.db2.gz JKQBEMSWRADWTH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cncn1 ZINC001405311228 998096407 /nfs/dbraw/zinc/09/64/07/998096407.db2.gz VKEOTVKTWBNBLZ-UONOGXRCSA-N 1 3 308.430 0.104 20 0 DCADHO C[C@H]([NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001405499369 998279159 /nfs/dbraw/zinc/27/91/59/998279159.db2.gz HUNCBRFAISUYDQ-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1nnc([C@H](C)NC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001405725268 998501935 /nfs/dbraw/zinc/50/19/35/998501935.db2.gz DCULLEQIVRWIJS-NEPJUHHUSA-N 1 3 320.441 0.612 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC(=O)NC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001507295617 1016224860 /nfs/dbraw/zinc/22/48/60/1016224860.db2.gz NPZLTIKHPVFWRG-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)CN(C)C1CCC1 ZINC001511263711 1016239986 /nfs/dbraw/zinc/23/99/86/1016239986.db2.gz LQNLDURAMAWFJD-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCO)[C@H]2C1 ZINC001507370584 1016285146 /nfs/dbraw/zinc/28/51/46/1016285146.db2.gz ZMXUXWZGJZWNFZ-HRCADAONSA-N 1 3 311.470 0.926 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001507444183 1016331932 /nfs/dbraw/zinc/33/19/32/1016331932.db2.gz TXJLQPNRWBQTKR-STQMWFEESA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2c[nH]nc2c1 ZINC001470026542 1016381894 /nfs/dbraw/zinc/38/18/94/1016381894.db2.gz PKPOGUBTWRUIMN-LBPRGKRZSA-N 1 3 318.425 0.960 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2c[nH]nc2c1 ZINC001470026542 1016381901 /nfs/dbraw/zinc/38/19/01/1016381901.db2.gz PKPOGUBTWRUIMN-LBPRGKRZSA-N 1 3 318.425 0.960 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001401117548 1000205745 /nfs/dbraw/zinc/20/57/45/1000205745.db2.gz IHGOJRLIGWYRJJ-ZFWWWQNUSA-N 1 3 322.457 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001401117548 1000205751 /nfs/dbraw/zinc/20/57/51/1000205751.db2.gz IHGOJRLIGWYRJJ-ZFWWWQNUSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001418584620 1000366434 /nfs/dbraw/zinc/36/64/34/1000366434.db2.gz CIRXVVNCNWOWEF-HNNXBMFYSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001418686083 1000450354 /nfs/dbraw/zinc/45/03/54/1000450354.db2.gz LINBWTPAOWOFAZ-FVQBIDKESA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1C)N(C)C ZINC001401554780 1000492518 /nfs/dbraw/zinc/49/25/18/1000492518.db2.gz KVOIJWKUPKTSPW-GJZGRUSLSA-N 1 3 308.426 0.297 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001401565916 1000502133 /nfs/dbraw/zinc/50/21/33/1000502133.db2.gz XDAHROMJPWNHQD-MRXNPFEDSA-N 1 3 320.437 0.299 20 0 DCADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001418825059 1000552614 /nfs/dbraw/zinc/55/26/14/1000552614.db2.gz HGPLOGJASNLFRS-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001401651207 1000590916 /nfs/dbraw/zinc/59/09/16/1000590916.db2.gz JAPARQCJTDVQGQ-LLVKDONJSA-N 1 3 308.430 0.439 20 0 DCADHO C[C@H](CNCc1cccnc1)NC(=O)COC1CC[NH+](C)CC1 ZINC001401656872 1000596973 /nfs/dbraw/zinc/59/69/73/1000596973.db2.gz ZDFOQDACNICRGH-CQSZACIVSA-N 1 3 320.437 0.787 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC1CC1 ZINC001418949377 1000638532 /nfs/dbraw/zinc/63/85/32/1000638532.db2.gz CDBUJUBJMFWCKP-VHDGCEQUSA-N 1 3 322.453 0.328 20 0 DCADHO CN(C[C@@H](O)CNCC=C(Cl)Cl)C(=O)CC[NH+](C)C ZINC001507503105 1016428202 /nfs/dbraw/zinc/42/82/02/1016428202.db2.gz VTQLQKKIJHMJFN-JTQLQIEISA-N 1 3 312.241 0.666 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001401824142 1000761268 /nfs/dbraw/zinc/76/12/68/1000761268.db2.gz MNNXOTRINHMZIT-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cnnn2C)C2CC2)CC[N@@H+]1C ZINC001419253981 1000922497 /nfs/dbraw/zinc/92/24/97/1000922497.db2.gz SOTYIMMQPCOHOF-DFBGVHRSSA-N 1 3 320.441 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cnnn2C)C2CC2)CC[N@H+]1C ZINC001419253981 1000922501 /nfs/dbraw/zinc/92/25/01/1000922501.db2.gz SOTYIMMQPCOHOF-DFBGVHRSSA-N 1 3 320.441 0.140 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001419310185 1000966448 /nfs/dbraw/zinc/96/64/48/1000966448.db2.gz LVRUHNRRMPQEIR-HNNXBMFYSA-N 1 3 317.437 0.500 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402051669 1000975104 /nfs/dbraw/zinc/97/51/04/1000975104.db2.gz SIYKTTZDHVOAGQ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001419346035 1000990405 /nfs/dbraw/zinc/99/04/05/1000990405.db2.gz LVOVKGGQLRWZQY-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001419346035 1000990409 /nfs/dbraw/zinc/99/04/09/1000990409.db2.gz LVOVKGGQLRWZQY-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC1CC1 ZINC001419372815 1001006334 /nfs/dbraw/zinc/00/63/34/1001006334.db2.gz XBYSWUBURWLTDS-OCCSQVGLSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001419375569 1001008542 /nfs/dbraw/zinc/00/85/42/1001008542.db2.gz HMTYIVDIVAMUSH-YDHLFZDLSA-N 1 3 322.457 0.672 20 0 DCADHO Cc1oncc1CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402257871 1001144311 /nfs/dbraw/zinc/14/43/11/1001144311.db2.gz IHFVIERZZNPSJD-ZBFHGGJFSA-N 1 3 322.409 0.130 20 0 DCADHO Cc1oncc1CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402257871 1001144313 /nfs/dbraw/zinc/14/43/13/1001144313.db2.gz IHFVIERZZNPSJD-ZBFHGGJFSA-N 1 3 322.409 0.130 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001419600130 1001165944 /nfs/dbraw/zinc/16/59/44/1001165944.db2.gz IFXYMQNYWPDLFM-JSGCOSHPSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](CNCc1cnnn1C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001419726706 1001253991 /nfs/dbraw/zinc/25/39/91/1001253991.db2.gz ZUBFKBQBXMUWRD-ZDUSSCGKSA-N 1 3 324.473 0.730 20 0 DCADHO C[C@@H](CNCc1cnnn1C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001419726706 1001253994 /nfs/dbraw/zinc/25/39/94/1001253994.db2.gz ZUBFKBQBXMUWRD-ZDUSSCGKSA-N 1 3 324.473 0.730 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001419736332 1001264947 /nfs/dbraw/zinc/26/49/47/1001264947.db2.gz GSVDTIBGQXOKEN-KGYLQXTDSA-N 1 3 308.430 0.438 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001419736332 1001264952 /nfs/dbraw/zinc/26/49/52/1001264952.db2.gz GSVDTIBGQXOKEN-KGYLQXTDSA-N 1 3 308.430 0.438 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001419773056 1001295694 /nfs/dbraw/zinc/29/56/94/1001295694.db2.gz MKMCODOLQQBIGQ-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001402482678 1001351008 /nfs/dbraw/zinc/35/10/08/1001351008.db2.gz PWYVQRAEONZRDN-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001419867605 1001368863 /nfs/dbraw/zinc/36/88/63/1001368863.db2.gz MLTIEDOELYPUAL-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419897575 1001393333 /nfs/dbraw/zinc/39/33/33/1001393333.db2.gz LYOBHRJNWWQDEH-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419897575 1001393340 /nfs/dbraw/zinc/39/33/40/1001393340.db2.gz LYOBHRJNWWQDEH-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NCC(=O)N(C)C)CCC1)[NH+](C)C ZINC001402543087 1001396381 /nfs/dbraw/zinc/39/63/81/1001396381.db2.gz AMDBPEDOKBAQCD-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001402548776 1001400504 /nfs/dbraw/zinc/40/05/04/1001400504.db2.gz JKVFISCOXGLEOA-MGPQQGTHSA-N 1 3 312.458 0.478 20 0 DCADHO Cc1nc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC2)n[nH]1 ZINC001402550912 1001401608 /nfs/dbraw/zinc/40/16/08/1001401608.db2.gz WXZJNEHXYLBGEL-DGCLKSJQSA-N 1 3 320.441 0.582 20 0 DCADHO Cc1nc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC2)n[nH]1 ZINC001402550912 1001401612 /nfs/dbraw/zinc/40/16/12/1001401612.db2.gz WXZJNEHXYLBGEL-DGCLKSJQSA-N 1 3 320.441 0.582 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001402551799 1001402684 /nfs/dbraw/zinc/40/26/84/1001402684.db2.gz OWUPQOPSIPTFLW-KKUMJFAQSA-N 1 3 324.469 0.622 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001419927417 1001411578 /nfs/dbraw/zinc/41/15/78/1001411578.db2.gz AAQDQMUOUGIVPC-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001402636118 1001453806 /nfs/dbraw/zinc/45/38/06/1001453806.db2.gz WCIZBZAMLURNIS-CRWXNKLISA-N 1 3 310.442 0.184 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001402772756 1001496393 /nfs/dbraw/zinc/49/63/93/1001496393.db2.gz UYEJHOUTDUDMSF-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]C[C@H](C)OC)CC1)N(C)C ZINC001402801950 1001508617 /nfs/dbraw/zinc/50/86/17/1001508617.db2.gz FMHXDBDSEGEQGC-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NC/C=C/Cl ZINC001402885216 1001557036 /nfs/dbraw/zinc/55/70/36/1001557036.db2.gz QPPNCXTUHSWMSY-FUEXJSSKSA-N 1 3 313.833 0.905 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001403163642 1001701610 /nfs/dbraw/zinc/70/16/10/1001701610.db2.gz SGSHJAAXEIZHLF-GJZGRUSLSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001403163642 1001701612 /nfs/dbraw/zinc/70/16/12/1001701612.db2.gz SGSHJAAXEIZHLF-GJZGRUSLSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001420001795 1001756783 /nfs/dbraw/zinc/75/67/83/1001756783.db2.gz IFVGWTZOJLIIAK-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)CCn2cccn2)C1 ZINC001420002228 1001756991 /nfs/dbraw/zinc/75/69/91/1001756991.db2.gz DXWWCNROACDURD-OAHLLOKOSA-N 1 3 307.442 0.615 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CCn2cccn2)C1 ZINC001420002228 1001756992 /nfs/dbraw/zinc/75/69/92/1001756992.db2.gz DXWWCNROACDURD-OAHLLOKOSA-N 1 3 307.442 0.615 20 0 DCADHO CNC(=O)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001403248294 1001760234 /nfs/dbraw/zinc/76/02/34/1001760234.db2.gz VWVINWOXYKTSHO-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001403316794 1001806543 /nfs/dbraw/zinc/80/65/43/1001806543.db2.gz CHKBMMUJMLWZAD-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001403316794 1001806556 /nfs/dbraw/zinc/80/65/56/1001806556.db2.gz CHKBMMUJMLWZAD-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@@H](NCc1ccnn1C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424811889 1002050965 /nfs/dbraw/zinc/05/09/65/1002050965.db2.gz BUPOOQGCFIVVOP-CHWSQXEVSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](NC[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001403514806 1002059153 /nfs/dbraw/zinc/05/91/53/1002059153.db2.gz YGBJXGVPLKOPBL-TZMCWYRMSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@H](CC[NH2+][C@H]1CCCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001420217791 1002060361 /nfs/dbraw/zinc/06/03/61/1002060361.db2.gz ARMVEKDKPDSCRF-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001424830861 1002070855 /nfs/dbraw/zinc/07/08/55/1002070855.db2.gz RBVDANAQGFKHFM-CHWSQXEVSA-N 1 3 322.457 0.530 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001424852991 1002094866 /nfs/dbraw/zinc/09/48/66/1002094866.db2.gz GIZXYMFWULBCOK-UHFFFAOYSA-N 1 3 321.425 0.400 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)NC1CC1)C(=O)CN1CCCC1 ZINC001420246991 1002108019 /nfs/dbraw/zinc/10/80/19/1002108019.db2.gz CKURDMJZTPKJSY-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001403571553 1002157823 /nfs/dbraw/zinc/15/78/23/1002157823.db2.gz RFBVKLWYFJRENI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001403571553 1002157827 /nfs/dbraw/zinc/15/78/27/1002157827.db2.gz RFBVKLWYFJRENI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001403616957 1002216589 /nfs/dbraw/zinc/21/65/89/1002216589.db2.gz BYICMBSYUVNZJV-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001403632253 1002240452 /nfs/dbraw/zinc/24/04/52/1002240452.db2.gz YQDMEUKUUKTVJP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN(C)CCOCCO)CC1 ZINC001471518368 1016595675 /nfs/dbraw/zinc/59/56/75/1016595675.db2.gz RSVSMVLCXGGWDP-UHFFFAOYSA-N 1 3 315.458 0.164 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCc1ccnn1C ZINC001425079701 1002330345 /nfs/dbraw/zinc/33/03/45/1002330345.db2.gz UNEYDBTZHVKDEM-UONOGXRCSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCc1ccnn1C ZINC001425079701 1002330355 /nfs/dbraw/zinc/33/03/55/1002330355.db2.gz UNEYDBTZHVKDEM-UONOGXRCSA-N 1 3 307.442 0.351 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001505850543 1016612425 /nfs/dbraw/zinc/61/24/25/1016612425.db2.gz ZWVXMLYDGLWZER-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420433132 1002410856 /nfs/dbraw/zinc/41/08/56/1002410856.db2.gz CXFBCVLWRLWNOD-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001403738963 1002443283 /nfs/dbraw/zinc/44/32/83/1002443283.db2.gz DGVVDTACKLDOQD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)NC(C)(C)C)CN1C(=O)CC[NH+](C)C ZINC001403745326 1002457295 /nfs/dbraw/zinc/45/72/95/1002457295.db2.gz NNUWFHLEANPSGW-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001403752883 1002472602 /nfs/dbraw/zinc/47/26/02/1002472602.db2.gz MMEWDXSPSJWVHY-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(CCc2ccnn2C)C1 ZINC001425244107 1002475108 /nfs/dbraw/zinc/47/51/08/1002475108.db2.gz GQYBMNOJZMYBRR-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(CCc2ccnn2C)C1 ZINC001425244107 1002475115 /nfs/dbraw/zinc/47/51/15/1002475115.db2.gz GQYBMNOJZMYBRR-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420504533 1002517485 /nfs/dbraw/zinc/51/74/85/1002517485.db2.gz HPGBUCPCVMHBES-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420504533 1002517496 /nfs/dbraw/zinc/51/74/96/1002517496.db2.gz HPGBUCPCVMHBES-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](N[C@@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001403810270 1002556459 /nfs/dbraw/zinc/55/64/59/1002556459.db2.gz AUOGRICXAWBDMD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](N[C@@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001403810270 1002556470 /nfs/dbraw/zinc/55/64/70/1002556470.db2.gz AUOGRICXAWBDMD-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H]3CN(CC(N)=O)C[C@@H]3C2)CC1 ZINC001425375805 1002620968 /nfs/dbraw/zinc/62/09/68/1002620968.db2.gz VZTKXVORRMOSAP-HZSPNIEDSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H](C[N@H+](C)CCc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001420620834 1002697671 /nfs/dbraw/zinc/69/76/71/1002697671.db2.gz FDUNSSGLLMZDPL-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](C[N@@H+](C)CCc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001420620834 1002697675 /nfs/dbraw/zinc/69/76/75/1002697675.db2.gz FDUNSSGLLMZDPL-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO CN(C(=O)CCCC[NH+](C)C)C1CC(NCc2cnnn2C)C1 ZINC001508145993 1016671787 /nfs/dbraw/zinc/67/17/87/1016671787.db2.gz RSFIJWMQYCEMOQ-UHFFFAOYSA-N 1 3 322.457 0.626 20 0 DCADHO CC[C@H]([NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C)C(N)=O ZINC001403968614 1002817017 /nfs/dbraw/zinc/81/70/17/1002817017.db2.gz GDVVCAHWCKREJS-STQMWFEESA-N 1 3 314.474 0.711 20 0 DCADHO CN1CC[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)C1=O ZINC001403981227 1002844561 /nfs/dbraw/zinc/84/45/61/1002844561.db2.gz FJVUTQKWHHCLDW-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001404004144 1002889675 /nfs/dbraw/zinc/88/96/75/1002889675.db2.gz MDCHBOVQIZQZHE-NRXISQOPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001420772889 1002934814 /nfs/dbraw/zinc/93/48/14/1002934814.db2.gz RHBGEHSMPGWHED-RISCZKNCSA-N 1 3 310.442 0.077 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001425667833 1002944155 /nfs/dbraw/zinc/94/41/55/1002944155.db2.gz XSZIWOSBYYSDLI-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1cnnn1C)[NH+](C)C ZINC001405830671 1003118910 /nfs/dbraw/zinc/11/89/10/1003118910.db2.gz NUDZQZYAVSRMCK-JSGCOSHPSA-N 1 3 310.446 0.338 20 0 DCADHO C[C@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001425813587 1003139609 /nfs/dbraw/zinc/13/96/09/1003139609.db2.gz ZAJKFWYLCAXXNS-SWLSCSKDSA-N 1 3 311.401 0.905 20 0 DCADHO CNC(=O)[C@@H](C)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001420945529 1003163201 /nfs/dbraw/zinc/16/32/01/1003163201.db2.gz ONIKMQCOEBNUKN-CHWSQXEVSA-N 1 3 310.442 0.232 20 0 DCADHO CNC(=O)[C@@H](C)NC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001420945529 1003163208 /nfs/dbraw/zinc/16/32/08/1003163208.db2.gz ONIKMQCOEBNUKN-CHWSQXEVSA-N 1 3 310.442 0.232 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(CF)cc2)C1 ZINC001425838077 1003168245 /nfs/dbraw/zinc/16/82/45/1003168245.db2.gz KNSFYBGBWCUIRQ-JKSUJKDBSA-N 1 3 323.412 0.675 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(CF)cc2)C1 ZINC001425838077 1003168251 /nfs/dbraw/zinc/16/82/51/1003168251.db2.gz KNSFYBGBWCUIRQ-JKSUJKDBSA-N 1 3 323.412 0.675 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NCC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001425887073 1003224634 /nfs/dbraw/zinc/22/46/34/1003224634.db2.gz CXTROOOOHUFPES-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(N)=O ZINC001406006588 1003258376 /nfs/dbraw/zinc/25/83/76/1003258376.db2.gz VJIQRPLTGMJFHC-WCQYABFASA-N 1 3 307.398 0.187 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001425958233 1003283428 /nfs/dbraw/zinc/28/34/28/1003283428.db2.gz UFGUYTROWWENDH-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC(N)=O ZINC001406040488 1003292476 /nfs/dbraw/zinc/29/24/76/1003292476.db2.gz HEQDTRCVNYKNBH-UONOGXRCSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001426010113 1003333010 /nfs/dbraw/zinc/33/30/10/1003333010.db2.gz NNDGHRVGYPGGNG-KGLIPLIRSA-N 1 3 315.458 0.041 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001421131341 1003360730 /nfs/dbraw/zinc/36/07/30/1003360730.db2.gz BTHGOKWSIKRMTA-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001421131346 1003361492 /nfs/dbraw/zinc/36/14/92/1003361492.db2.gz BTHGOKWSIKRMTA-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CC2CCCC2)C1 ZINC001426044859 1003370059 /nfs/dbraw/zinc/37/00/59/1003370059.db2.gz NADCYWOFRROABT-GDBMZVCRSA-N 1 3 311.470 0.927 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001421218670 1003454417 /nfs/dbraw/zinc/45/44/17/1003454417.db2.gz IXONOUZOFQMFGN-NVXWUHKLSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001421218670 1003454420 /nfs/dbraw/zinc/45/44/20/1003454420.db2.gz IXONOUZOFQMFGN-NVXWUHKLSA-N 1 3 319.453 0.806 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001406233054 1003506768 /nfs/dbraw/zinc/50/67/68/1003506768.db2.gz GINZRXDRLYUHQX-OAHLLOKOSA-N 1 3 320.437 0.441 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H](CC)N(C)C)C1 ZINC001426223483 1003662388 /nfs/dbraw/zinc/66/23/88/1003662388.db2.gz LNIPNVWQZNLCHN-JXQTWKCFSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001426232983 1003667371 /nfs/dbraw/zinc/66/73/71/1003667371.db2.gz CCDPRAZJMBVYHX-UHFFFAOYSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001406415062 1003696943 /nfs/dbraw/zinc/69/69/43/1003696943.db2.gz NGTZHOANUBSMAL-YPMHNXCESA-N 1 3 321.425 0.271 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)CN2CCOCC2)o1 ZINC001406554402 1003836319 /nfs/dbraw/zinc/83/63/19/1003836319.db2.gz BXMQZQDVKSLPGO-STQMWFEESA-N 1 3 324.425 0.546 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001428325545 1003864675 /nfs/dbraw/zinc/86/46/75/1003864675.db2.gz OYCAAFNAPHFVCE-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001428325545 1003864684 /nfs/dbraw/zinc/86/46/84/1003864684.db2.gz OYCAAFNAPHFVCE-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001406695463 1004011149 /nfs/dbraw/zinc/01/11/49/1004011149.db2.gz GBZNEKSCTRTVKQ-IUODEOHRSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001406695463 1004011159 /nfs/dbraw/zinc/01/11/59/1004011159.db2.gz GBZNEKSCTRTVKQ-IUODEOHRSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001406710415 1004028268 /nfs/dbraw/zinc/02/82/68/1004028268.db2.gz WBJQRAAMITUUSN-HOCLYGCPSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001406710415 1004028279 /nfs/dbraw/zinc/02/82/79/1004028279.db2.gz WBJQRAAMITUUSN-HOCLYGCPSA-N 1 3 321.469 0.888 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001427067998 1004191453 /nfs/dbraw/zinc/19/14/53/1004191453.db2.gz MJTLDFSMALVCHH-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001428884009 1004239223 /nfs/dbraw/zinc/23/92/23/1004239223.db2.gz TZSRQTOYHMCTDH-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001428884009 1004239230 /nfs/dbraw/zinc/23/92/30/1004239230.db2.gz TZSRQTOYHMCTDH-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001428914659 1004262581 /nfs/dbraw/zinc/26/25/81/1004262581.db2.gz OHOBSPSKSXOANF-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001407100156 1004380231 /nfs/dbraw/zinc/38/02/31/1004380231.db2.gz KLCXACAAYMDPLZ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001407514665 1004703164 /nfs/dbraw/zinc/70/31/64/1004703164.db2.gz BRRCAOMTRJPDEB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001407514665 1004703170 /nfs/dbraw/zinc/70/31/70/1004703170.db2.gz BRRCAOMTRJPDEB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001513907909 1016929781 /nfs/dbraw/zinc/92/97/81/1016929781.db2.gz ZSECAIBAHGMIRG-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1ccnn1C ZINC001408104403 1005044206 /nfs/dbraw/zinc/04/42/06/1005044206.db2.gz XTQHOTXERDEAAW-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cccn1 ZINC001408198845 1005104410 /nfs/dbraw/zinc/10/44/10/1005104410.db2.gz NURCHGMEWRIBSQ-AWEZNQCLSA-N 1 3 307.442 0.852 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001414495663 1005345511 /nfs/dbraw/zinc/34/55/11/1005345511.db2.gz JZDJRAOXRIPQLI-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001415171996 1005474994 /nfs/dbraw/zinc/47/49/94/1005474994.db2.gz FPCHUFGGNDGAKQ-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001415171996 1005474995 /nfs/dbraw/zinc/47/49/95/1005474995.db2.gz FPCHUFGGNDGAKQ-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001415330514 1005504016 /nfs/dbraw/zinc/50/40/16/1005504016.db2.gz YLINXDXTKMILLJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001415330516 1005504260 /nfs/dbraw/zinc/50/42/60/1005504260.db2.gz YLINXDXTKMILLJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001415773034 1005609108 /nfs/dbraw/zinc/60/91/08/1005609108.db2.gz RVKNPBQUHNRAJW-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001415773034 1005609110 /nfs/dbraw/zinc/60/91/10/1005609110.db2.gz RVKNPBQUHNRAJW-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001415861422 1005625798 /nfs/dbraw/zinc/62/57/98/1005625798.db2.gz RLWUYZVVUIWFNF-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001415861422 1005625800 /nfs/dbraw/zinc/62/58/00/1005625800.db2.gz RLWUYZVVUIWFNF-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC001416046615 1005655587 /nfs/dbraw/zinc/65/55/87/1005655587.db2.gz RDINWJJUHBWOOC-CZUORRHYSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)C1CC[NH+](C)CC1 ZINC001416910138 1005758325 /nfs/dbraw/zinc/75/83/25/1005758325.db2.gz WEJFWBGDJMEFPE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001417155134 1005794500 /nfs/dbraw/zinc/79/45/00/1005794500.db2.gz QXJLKAYZMSDVRZ-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001417155134 1005794501 /nfs/dbraw/zinc/79/45/01/1005794501.db2.gz QXJLKAYZMSDVRZ-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001417772166 1005887624 /nfs/dbraw/zinc/88/76/24/1005887624.db2.gz AGXFDLONIYQBSO-MQYQWHSLSA-N 1 3 312.458 0.192 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001417992645 1005949857 /nfs/dbraw/zinc/94/98/57/1005949857.db2.gz GJEBRYKCPCSAAT-MRXNPFEDSA-N 1 3 319.453 0.746 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001418045276 1005976119 /nfs/dbraw/zinc/97/61/19/1005976119.db2.gz VQHXJYKUYGEPGB-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001418045276 1005976130 /nfs/dbraw/zinc/97/61/30/1005976130.db2.gz VQHXJYKUYGEPGB-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418070034 1006000488 /nfs/dbraw/zinc/00/04/88/1006000488.db2.gz FWZZPDKXLIIHSK-YDHLFZDLSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438688077 1006029868 /nfs/dbraw/zinc/02/98/68/1006029868.db2.gz UKJJZRMLMDYLEK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001438688077 1006029881 /nfs/dbraw/zinc/02/98/81/1006029881.db2.gz UKJJZRMLMDYLEK-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001438688080 1006030663 /nfs/dbraw/zinc/03/06/63/1006030663.db2.gz UKJJZRMLMDYLEK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001438688080 1006030674 /nfs/dbraw/zinc/03/06/74/1006030674.db2.gz UKJJZRMLMDYLEK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001418318849 1006363110 /nfs/dbraw/zinc/36/31/10/1006363110.db2.gz QHXQKDHLZUIKEZ-CJNGLKHVSA-N 1 3 324.469 0.480 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001418340956 1006403299 /nfs/dbraw/zinc/40/32/99/1006403299.db2.gz ADBNEILOPASTLC-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001436842762 1006415932 /nfs/dbraw/zinc/41/59/32/1006415932.db2.gz OMOMTTDOHQQYKY-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001436864959 1006424127 /nfs/dbraw/zinc/42/41/27/1006424127.db2.gz ZNGXEVGHZXLABB-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001436883052 1006429613 /nfs/dbraw/zinc/42/96/13/1006429613.db2.gz KWMPAYIKGWCIHZ-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001439155064 1006522218 /nfs/dbraw/zinc/52/22/18/1006522218.db2.gz SHGKQNKRVHHZHP-GFCCVEGCSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439412164 1006836011 /nfs/dbraw/zinc/83/60/11/1006836011.db2.gz UODOSCSOUHIVRM-UKRRQHHQSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439412164 1006836028 /nfs/dbraw/zinc/83/60/28/1006836028.db2.gz UODOSCSOUHIVRM-UKRRQHHQSA-N 1 3 307.442 0.351 20 0 DCADHO CCCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001439456426 1006880186 /nfs/dbraw/zinc/88/01/86/1006880186.db2.gz CEFBNJRGOWJVAD-BPLDGKMQSA-N 1 3 324.469 0.337 20 0 DCADHO CCCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001439456426 1006880202 /nfs/dbraw/zinc/88/02/02/1006880202.db2.gz CEFBNJRGOWJVAD-BPLDGKMQSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437405633 1006929452 /nfs/dbraw/zinc/92/94/52/1006929452.db2.gz XMROGXNJVLKXMS-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)C1C[NH+](CCC2CC2)C1 ZINC001439755186 1007174589 /nfs/dbraw/zinc/17/45/89/1007174589.db2.gz KCTJBIYPOVYXPR-AWEZNQCLSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CC2CC2)C1)N1CCCC1 ZINC001440006380 1007406968 /nfs/dbraw/zinc/40/69/68/1007406968.db2.gz VRUIWNACYITCSM-QGZVFWFLSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1)N1CCCC1 ZINC001440006380 1007406972 /nfs/dbraw/zinc/40/69/72/1007406972.db2.gz VRUIWNACYITCSM-QGZVFWFLSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001437853364 1007466461 /nfs/dbraw/zinc/46/64/61/1007466461.db2.gz YVAMMXTUTSNTNS-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001437853364 1007466466 /nfs/dbraw/zinc/46/64/66/1007466466.db2.gz YVAMMXTUTSNTNS-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)NCCN1CCC([NH2+]CCF)CC1 ZINC001440157990 1007528380 /nfs/dbraw/zinc/52/83/80/1007528380.db2.gz MGJBFWDOQMUILR-UHFFFAOYSA-N 1 3 302.438 0.466 20 0 DCADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001437921707 1007499390 /nfs/dbraw/zinc/49/93/90/1007499390.db2.gz GVPWXLPFYWLSFA-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001437921707 1007499396 /nfs/dbraw/zinc/49/93/96/1007499396.db2.gz GVPWXLPFYWLSFA-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1cc(CN2CC[C@H](CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001437945702 1007520427 /nfs/dbraw/zinc/52/04/27/1007520427.db2.gz JIZAPRATNUCZHO-GOEBONIOSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CN2CC[C@H](CCNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001437945702 1007520437 /nfs/dbraw/zinc/52/04/37/1007520437.db2.gz JIZAPRATNUCZHO-GOEBONIOSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001440218150 1007587405 /nfs/dbraw/zinc/58/74/05/1007587405.db2.gz ILJVWJLBMGQUCT-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C(=O)CNC1(CNC(=O)CC[NH+](C)C)CCC1)C1CC1 ZINC001440333762 1007678451 /nfs/dbraw/zinc/67/84/51/1007678451.db2.gz OVCCLXYIPIDUKK-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1cc(CNC2(CNC(=O)C34CC[NH+](CC3)C4)CCC2)cn1 ZINC001440359901 1007694666 /nfs/dbraw/zinc/69/46/66/1007694666.db2.gz WORODXBBIKBARA-UHFFFAOYSA-N 1 3 317.437 0.644 20 0 DCADHO CCN1CC[C@@H](N2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001440401693 1007731583 /nfs/dbraw/zinc/73/15/83/1007731583.db2.gz YNVYREWWXLABOZ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCN(C)C1=O ZINC001438323001 1007819033 /nfs/dbraw/zinc/81/90/33/1007819033.db2.gz KEBKGNNIFYEBGQ-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCn2cncn2)[C@@H](C)C1 ZINC001440653182 1007939915 /nfs/dbraw/zinc/93/99/15/1007939915.db2.gz YLUXRXWAXXLDHD-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCn2cncn2)[C@@H](C)C1 ZINC001440653182 1007939927 /nfs/dbraw/zinc/93/99/27/1007939927.db2.gz YLUXRXWAXXLDHD-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001440762888 1008004389 /nfs/dbraw/zinc/00/43/89/1008004389.db2.gz KYWSYPMEXGNMID-JXQTWKCFSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001438596419 1008018673 /nfs/dbraw/zinc/01/86/73/1008018673.db2.gz VQKAUXUATCYTCD-UONOGXRCSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)NCC(N)=O ZINC001440843062 1008060476 /nfs/dbraw/zinc/06/04/76/1008060476.db2.gz PSKYKPXERNREAI-NWDGAFQWSA-N 1 3 306.410 0.330 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001441160766 1008247102 /nfs/dbraw/zinc/24/71/02/1008247102.db2.gz OEJWDFMZYYTBQH-UONOGXRCSA-N 1 3 309.454 0.944 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001441213061 1008272726 /nfs/dbraw/zinc/27/27/26/1008272726.db2.gz YWBBGSMISSPFPG-CABCVRRESA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001441213061 1008272731 /nfs/dbraw/zinc/27/27/31/1008272731.db2.gz YWBBGSMISSPFPG-CABCVRRESA-N 1 3 324.469 0.337 20 0 DCADHO Cc1nn(C)cc1CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001441248282 1008290257 /nfs/dbraw/zinc/29/02/57/1008290257.db2.gz AAGKAJGCWLPXLK-GDBMZVCRSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441248282 1008290261 /nfs/dbraw/zinc/29/02/61/1008290261.db2.gz AAGKAJGCWLPXLK-GDBMZVCRSA-N 1 3 319.453 0.665 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001441524188 1008390162 /nfs/dbraw/zinc/39/01/62/1008390162.db2.gz WPBKCXLXJSBGNT-OKILXGFUSA-N 1 3 307.442 0.541 20 0 DCADHO CC[C@@H](N[C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001441541905 1008397061 /nfs/dbraw/zinc/39/70/61/1008397061.db2.gz RPCQVIGFITZIRZ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001441592590 1008416724 /nfs/dbraw/zinc/41/67/24/1008416724.db2.gz QIUJOOGMQDEYFT-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001421402242 1008526710 /nfs/dbraw/zinc/52/67/10/1008526710.db2.gz ITZRPIFSNBWKOX-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001421402242 1008526723 /nfs/dbraw/zinc/52/67/23/1008526723.db2.gz ITZRPIFSNBWKOX-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001441842814 1008557460 /nfs/dbraw/zinc/55/74/60/1008557460.db2.gz NQUISQFXHPVUAI-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001441842814 1008557470 /nfs/dbraw/zinc/55/74/70/1008557470.db2.gz NQUISQFXHPVUAI-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001453587507 1008596561 /nfs/dbraw/zinc/59/65/61/1008596561.db2.gz XCSYLQPSZSRHPZ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001453587507 1008596548 /nfs/dbraw/zinc/59/65/48/1008596548.db2.gz XCSYLQPSZSRHPZ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](N[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(N)=O ZINC001441910222 1008645910 /nfs/dbraw/zinc/64/59/10/1008645910.db2.gz BTOXLOMWYPVQIC-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001453686727 1008665101 /nfs/dbraw/zinc/66/51/01/1008665101.db2.gz GFVPXAYILAYDTN-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[C@H](N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C)C(N)=O ZINC001441929402 1008670207 /nfs/dbraw/zinc/67/02/07/1008670207.db2.gz GQYJQTSLTACSOZ-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](N[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C)C(N)=O ZINC001441929402 1008670195 /nfs/dbraw/zinc/67/01/95/1008670195.db2.gz GQYJQTSLTACSOZ-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001441940371 1008682732 /nfs/dbraw/zinc/68/27/32/1008682732.db2.gz PAUMPLULLYGITC-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCCN(C)C1=O ZINC001441940379 1008684275 /nfs/dbraw/zinc/68/42/75/1008684275.db2.gz PAUMPLULLYGITC-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001421547216 1008711894 /nfs/dbraw/zinc/71/18/94/1008711894.db2.gz RCSKFWPXAGPWHQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]([NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001421583528 1008758528 /nfs/dbraw/zinc/75/85/28/1008758528.db2.gz OMLBEIHHMXKTCK-OCCSQVGLSA-N 1 3 321.425 0.434 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccccc2)C1 ZINC001442007435 1008797459 /nfs/dbraw/zinc/79/74/59/1008797459.db2.gz XPVJJJAYHBPEOF-DOTOQJQBSA-N 1 3 319.449 0.937 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCC1CCN([C@@H](C)C(N)=O)CC1 ZINC001421642232 1008857310 /nfs/dbraw/zinc/85/73/10/1008857310.db2.gz SLICQXJTVYRFDN-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCC1CCN([C@@H](C)C(N)=O)CC1 ZINC001421642232 1008857327 /nfs/dbraw/zinc/85/73/27/1008857327.db2.gz SLICQXJTVYRFDN-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001421735193 1009006994 /nfs/dbraw/zinc/00/69/94/1009006994.db2.gz GIRJPWXBLUJUOO-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)C1CC[NH+](C)CC1 ZINC001421740854 1009014487 /nfs/dbraw/zinc/01/44/87/1009014487.db2.gz JTNNZLPOWOZCIN-LLVKDONJSA-N 1 3 311.455 0.722 20 0 DCADHO Cc1nc(CNC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC2)n[nH]1 ZINC001421795545 1009104493 /nfs/dbraw/zinc/10/44/93/1009104493.db2.gz WSYWPRGWCMHQGI-CYBMUJFWSA-N 1 3 320.441 0.583 20 0 DCADHO Cc1nc(CNC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC2)n[nH]1 ZINC001421795545 1009104498 /nfs/dbraw/zinc/10/44/98/1009104498.db2.gz WSYWPRGWCMHQGI-CYBMUJFWSA-N 1 3 320.441 0.583 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(C3CC[NH+](CCO)CC3)CC2)C1 ZINC001442280554 1009153906 /nfs/dbraw/zinc/15/39/06/1009153906.db2.gz SFRPFXAGEMUTCX-CQSZACIVSA-N 1 3 309.454 0.681 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001421900098 1009234977 /nfs/dbraw/zinc/23/49/77/1009234977.db2.gz QNXJMEVVXMPQNL-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421996963 1009383092 /nfs/dbraw/zinc/38/30/92/1009383092.db2.gz XUTDCXPLKFWPJP-GXTWGEPZSA-N 1 3 322.457 0.495 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421996963 1009383109 /nfs/dbraw/zinc/38/31/09/1009383109.db2.gz XUTDCXPLKFWPJP-GXTWGEPZSA-N 1 3 322.457 0.495 20 0 DCADHO CNC(=O)CNC[C@@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422011373 1009400612 /nfs/dbraw/zinc/40/06/12/1009400612.db2.gz QWLODMFLWXHEOA-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nc(CNC[C@@H](CC(C)C)NC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001422020647 1009405237 /nfs/dbraw/zinc/40/52/37/1009405237.db2.gz ZMEKENJSEGHTMX-UONOGXRCSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNC[C@@H](CC(C)C)NC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001422020647 1009405250 /nfs/dbraw/zinc/40/52/50/1009405250.db2.gz ZMEKENJSEGHTMX-UONOGXRCSA-N 1 3 322.457 0.685 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001454991443 1009429551 /nfs/dbraw/zinc/42/95/51/1009429551.db2.gz ZZCAUPCQXNFOLJ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001422048558 1009432874 /nfs/dbraw/zinc/43/28/74/1009432874.db2.gz WAPMVTGOIBJWOO-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001422068826 1009452062 /nfs/dbraw/zinc/45/20/62/1009452062.db2.gz VDEFKIKUYQCLEX-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nnc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC001442660969 1009591198 /nfs/dbraw/zinc/59/11/98/1009591198.db2.gz GUNZPLCWUGHHNQ-UHFFFAOYSA-N 1 3 321.425 0.595 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001455312164 1009647378 /nfs/dbraw/zinc/64/73/78/1009647378.db2.gz XEQHDYUZQLFDLD-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001455312164 1009647385 /nfs/dbraw/zinc/64/73/85/1009647385.db2.gz XEQHDYUZQLFDLD-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[N@H+](C)CCCN1CCCC1=O)C(=O)CN1CCCC1 ZINC001422241419 1009695450 /nfs/dbraw/zinc/69/54/50/1009695450.db2.gz ZCWVNQWHHLVIOV-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CN(CC[N@@H+](C)CCCN1CCCC1=O)C(=O)CN1CCCC1 ZINC001422241419 1009695455 /nfs/dbraw/zinc/69/54/55/1009695455.db2.gz ZCWVNQWHHLVIOV-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001443016193 1010056158 /nfs/dbraw/zinc/05/61/58/1010056158.db2.gz LJWOBJNKZYBCRW-HZPDHXFCSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001443016193 1010056172 /nfs/dbraw/zinc/05/61/72/1010056172.db2.gz LJWOBJNKZYBCRW-HZPDHXFCSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001422698338 1010498739 /nfs/dbraw/zinc/49/87/39/1010498739.db2.gz UJKHDYSKVMVUAM-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001422720701 1010523010 /nfs/dbraw/zinc/52/30/10/1010523010.db2.gz SUHKSQMJVWGSEM-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001422720701 1010523019 /nfs/dbraw/zinc/52/30/19/1010523019.db2.gz SUHKSQMJVWGSEM-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)CC[NH+]1CCCCC1 ZINC001422917967 1010737170 /nfs/dbraw/zinc/73/71/70/1010737170.db2.gz NDZZZHZATHEQEH-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001422944449 1010761234 /nfs/dbraw/zinc/76/12/34/1010761234.db2.gz FNUKOKOIHKLJOV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001422944449 1010761240 /nfs/dbraw/zinc/76/12/40/1010761240.db2.gz FNUKOKOIHKLJOV-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001443985719 1010790790 /nfs/dbraw/zinc/79/07/90/1010790790.db2.gz NLVZPUIWVNCEKC-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(C)(C)C ZINC001444039631 1010816239 /nfs/dbraw/zinc/81/62/39/1010816239.db2.gz PFKQCQRNBANNPX-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)n[nH]1 ZINC001423034395 1010825095 /nfs/dbraw/zinc/82/50/95/1010825095.db2.gz ZWWBCYDQRUZIRF-CQSZACIVSA-N 1 3 320.441 0.439 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001423052436 1010843616 /nfs/dbraw/zinc/84/36/16/1010843616.db2.gz ONIXRORXFQJVGE-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001423052436 1010843619 /nfs/dbraw/zinc/84/36/19/1010843619.db2.gz ONIXRORXFQJVGE-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444091571 1010848920 /nfs/dbraw/zinc/84/89/20/1010848920.db2.gz VDHGBMCTVDIMLC-BETUJISGSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC(=O)NC ZINC001423078218 1010868570 /nfs/dbraw/zinc/86/85/70/1010868570.db2.gz GGTYLEPRJVGUSR-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001423224366 1010995099 /nfs/dbraw/zinc/99/50/99/1010995099.db2.gz CALMBCUTMJAPPG-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001423224366 1010995103 /nfs/dbraw/zinc/99/51/03/1010995103.db2.gz CALMBCUTMJAPPG-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001444438417 1011018500 /nfs/dbraw/zinc/01/85/00/1011018500.db2.gz KSLURWHAGXIHBT-CYBMUJFWSA-N 1 3 320.437 0.450 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(N[C@H](CC)C(N)=O)CC2)C1 ZINC001423252858 1011018875 /nfs/dbraw/zinc/01/88/75/1011018875.db2.gz UFQHVFFVQBJTJC-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(N[C@H](CC)C(N)=O)CC2)C1 ZINC001423252858 1011018879 /nfs/dbraw/zinc/01/88/79/1011018879.db2.gz UFQHVFFVQBJTJC-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444780377 1011170890 /nfs/dbraw/zinc/17/08/90/1011170890.db2.gz VQSAERGIWGZFSP-LSDHHAIUSA-N 1 3 324.469 0.195 20 0 DCADHO CC[C@H](C(N)=O)N1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001423655629 1011396702 /nfs/dbraw/zinc/39/67/02/1011396702.db2.gz ZECIYWVUTODSAT-TZMCWYRMSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001445226323 1011546116 /nfs/dbraw/zinc/54/61/16/1011546116.db2.gz QZKHMKCBTCQYRU-LSDHHAIUSA-N 1 3 315.458 0.066 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445305183 1011632216 /nfs/dbraw/zinc/63/22/16/1011632216.db2.gz RFOYVDVNWGFUQH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001445305183 1011632223 /nfs/dbraw/zinc/63/22/23/1011632223.db2.gz RFOYVDVNWGFUQH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CC[NH2+][C@H]1CCCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001445314502 1011641384 /nfs/dbraw/zinc/64/13/84/1011641384.db2.gz MBCYBUKNZYHUOC-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001445395404 1011724983 /nfs/dbraw/zinc/72/49/83/1011724983.db2.gz DOTTVUKYVFOABI-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001445395404 1011724993 /nfs/dbraw/zinc/72/49/93/1011724993.db2.gz DOTTVUKYVFOABI-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001431866646 1011729415 /nfs/dbraw/zinc/72/94/15/1011729415.db2.gz BYMDXTKQQHOJST-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431866646 1011729425 /nfs/dbraw/zinc/72/94/25/1011729425.db2.gz BYMDXTKQQHOJST-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001423959793 1011778904 /nfs/dbraw/zinc/77/89/04/1011778904.db2.gz FGBLHHCSZKFPHT-XQLPTFJDSA-N 1 3 324.469 0.560 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001423959793 1011778919 /nfs/dbraw/zinc/77/89/19/1011778919.db2.gz FGBLHHCSZKFPHT-XQLPTFJDSA-N 1 3 324.469 0.560 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC001553315034 1011889593 /nfs/dbraw/zinc/88/95/93/1011889593.db2.gz DXIRQDKHWPIQBK-SWLSCSKDSA-N 1 3 306.414 0.708 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)n[nH]1 ZINC001445575903 1011952380 /nfs/dbraw/zinc/95/23/80/1011952380.db2.gz OCMJLLNCUDEYTK-LBPRGKRZSA-N 1 3 320.441 0.583 20 0 DCADHO CC1CCN(CCNC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)CC1 ZINC001553426043 1011966731 /nfs/dbraw/zinc/96/67/31/1011966731.db2.gz JCISAVLDJRWWPZ-HNNXBMFYSA-N 1 3 324.469 0.868 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001432103043 1011974823 /nfs/dbraw/zinc/97/48/23/1011974823.db2.gz CMAAYUVJJVYQGY-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553445568 1011983012 /nfs/dbraw/zinc/98/30/12/1011983012.db2.gz NZHIOBULURBACB-BFYDXBDKSA-N 1 3 322.453 0.777 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553494956 1012025761 /nfs/dbraw/zinc/02/57/61/1012025761.db2.gz URQXFLAMENDWGX-ZNMIVQPWSA-N 1 3 310.442 0.369 20 0 DCADHO [NH3+]C1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553493955 1012028620 /nfs/dbraw/zinc/02/86/20/1012028620.db2.gz AURNUQTUFHMPDE-CVSAEHQPSA-N 1 3 310.442 0.497 20 0 DCADHO [NH3+]CC1([C@H]2CCCCN2C(=O)NC[C@@H]2CNCCO2)CCC1 ZINC001553502540 1012041075 /nfs/dbraw/zinc/04/10/75/1012041075.db2.gz KUBIWQMHXLCXMB-UONOGXRCSA-N 1 3 310.442 0.668 20 0 DCADHO [NH3+][C@]12CC[C@@H]1CN(C(=O)NC1CCN([C@@H]3CCOC3)CC1)C2 ZINC001553508759 1012052542 /nfs/dbraw/zinc/05/25/42/1012052542.db2.gz NBTJYYKBQSRPHV-XPKDYRNWSA-N 1 3 308.426 0.372 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553552751 1012100838 /nfs/dbraw/zinc/10/08/38/1012100838.db2.gz QHSIMOZGHOMZNE-KBPBESRZSA-N 1 3 310.442 0.539 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCC(=O)N2CCCC2)CCC1 ZINC001424196388 1012153295 /nfs/dbraw/zinc/15/32/95/1012153295.db2.gz JHXSLUVMXURGGL-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001445754157 1012208251 /nfs/dbraw/zinc/20/82/51/1012208251.db2.gz OXNWBPIUXPHTJL-IIAWOOMASA-N 1 3 321.469 0.739 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001445754157 1012208273 /nfs/dbraw/zinc/20/82/73/1012208273.db2.gz OXNWBPIUXPHTJL-IIAWOOMASA-N 1 3 321.469 0.739 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001424240390 1012219372 /nfs/dbraw/zinc/21/93/72/1012219372.db2.gz DZDULCHQZOEPFQ-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001424240390 1012219380 /nfs/dbraw/zinc/21/93/80/1012219380.db2.gz DZDULCHQZOEPFQ-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001432266990 1012228263 /nfs/dbraw/zinc/22/82/63/1012228263.db2.gz IAOSNQMOKRDJMH-KBPBESRZSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001432266990 1012228278 /nfs/dbraw/zinc/22/82/78/1012228278.db2.gz IAOSNQMOKRDJMH-KBPBESRZSA-N 1 3 324.469 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001424297738 1012325029 /nfs/dbraw/zinc/32/50/29/1012325029.db2.gz VYZXCQYQDNOVON-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001424297738 1012325042 /nfs/dbraw/zinc/32/50/42/1012325042.db2.gz VYZXCQYQDNOVON-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001445895767 1012404579 /nfs/dbraw/zinc/40/45/79/1012404579.db2.gz WNIMJEBZEIJDOS-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001424472096 1012542668 /nfs/dbraw/zinc/54/26/68/1012542668.db2.gz OZFRDKACENJGGS-ZBFHGGJFSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001424580008 1012673141 /nfs/dbraw/zinc/67/31/41/1012673141.db2.gz MEVLKXXITWXMDL-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001424580239 1012674706 /nfs/dbraw/zinc/67/47/06/1012674706.db2.gz PTRXAAHJLBTHDF-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001429755703 1012741543 /nfs/dbraw/zinc/74/15/43/1012741543.db2.gz PRGSBIJCGUSMQZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001429755703 1012741556 /nfs/dbraw/zinc/74/15/56/1012741556.db2.gz PRGSBIJCGUSMQZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO COc1cc(CNC[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001446601547 1012858372 /nfs/dbraw/zinc/85/83/72/1012858372.db2.gz HOMJYUBSSZXMMJ-MRXNPFEDSA-N 1 3 324.425 0.963 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001479338887 1017505443 /nfs/dbraw/zinc/50/54/43/1017505443.db2.gz SXRYYRNWNNETDW-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001479591646 1017589091 /nfs/dbraw/zinc/58/90/91/1017589091.db2.gz ZPNHAJIPEPCKIX-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001479591646 1017589101 /nfs/dbraw/zinc/58/91/01/1017589101.db2.gz ZPNHAJIPEPCKIX-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001506899676 1017652678 /nfs/dbraw/zinc/65/26/78/1017652678.db2.gz YYDXMAWHPAFRCO-TUVASFSCSA-N 1 3 324.469 0.608 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001506950436 1017694757 /nfs/dbraw/zinc/69/47/57/1017694757.db2.gz GOBJAVYIAOPSNF-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nccnc1CNCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497321116 1018045386 /nfs/dbraw/zinc/04/53/86/1018045386.db2.gz BQZVLCWUYNTGHV-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CNCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497321116 1018045401 /nfs/dbraw/zinc/04/54/01/1018045401.db2.gz BQZVLCWUYNTGHV-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)N(C)C ZINC001497331272 1018053708 /nfs/dbraw/zinc/05/37/08/1018053708.db2.gz KYIIURNXCBETAM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](NC(=O)CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001499923320 1018137288 /nfs/dbraw/zinc/13/72/88/1018137288.db2.gz XNTBZPXKLGQLFN-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001480043661 1018152067 /nfs/dbraw/zinc/15/20/67/1018152067.db2.gz OJIWBRGGJHPHHL-OAHLLOKOSA-N 1 3 319.453 0.746 20 0 DCADHO CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001480042529 1018153191 /nfs/dbraw/zinc/15/31/91/1018153191.db2.gz HJKDICZKZTZQIJ-QEJZJMRPSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001480042529 1018153200 /nfs/dbraw/zinc/15/32/00/1018153200.db2.gz HJKDICZKZTZQIJ-QEJZJMRPSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001497585231 1018250581 /nfs/dbraw/zinc/25/05/81/1018250581.db2.gz HOBBVILLHLYSTQ-VREHXWONSA-N 1 3 322.453 0.209 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001497585231 1018250594 /nfs/dbraw/zinc/25/05/94/1018250594.db2.gz HOBBVILLHLYSTQ-VREHXWONSA-N 1 3 322.453 0.209 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)c1n[nH]c(C)n1 ZINC001495095392 1018306524 /nfs/dbraw/zinc/30/65/24/1018306524.db2.gz VZSHMWNYZGYRHB-YPMHNXCESA-N 1 3 320.441 0.754 20 0 DCADHO CN1CCC[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CCCCN2C)C1=O ZINC001497654254 1018307428 /nfs/dbraw/zinc/30/74/28/1018307428.db2.gz ILRAEWIGRXTEOJ-YJQVQVLHSA-N 1 3 322.453 0.354 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cn(C)nc1C ZINC001495106948 1018319112 /nfs/dbraw/zinc/31/91/12/1018319112.db2.gz JDYABNFUDQSJLZ-DZGCQCFKSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cn(C)nc1C ZINC001495106948 1018319121 /nfs/dbraw/zinc/31/91/21/1018319121.db2.gz JDYABNFUDQSJLZ-DZGCQCFKSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001500382064 1018433786 /nfs/dbraw/zinc/43/37/86/1018433786.db2.gz JXWPLYOTCMWFRV-LRDDRELGSA-N 1 3 321.425 0.257 20 0 DCADHO CC[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001500404874 1018442071 /nfs/dbraw/zinc/44/20/71/1018442071.db2.gz LKHVXNDVCCBNPX-CJNGLKHVSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001497843510 1018465600 /nfs/dbraw/zinc/46/56/00/1018465600.db2.gz RFYRQYLDLGKEAL-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001497843510 1018465610 /nfs/dbraw/zinc/46/56/10/1018465610.db2.gz RFYRQYLDLGKEAL-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CCn1cc(Cl)cn1 ZINC001497992631 1018567277 /nfs/dbraw/zinc/56/72/77/1018567277.db2.gz HMHCSSRLAHMJBT-GFCCVEGCSA-N 1 3 315.849 0.971 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)[NH+]1CCCC1 ZINC001497993659 1018570291 /nfs/dbraw/zinc/57/02/91/1018570291.db2.gz SAJROFQYLMTHIR-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001498053844 1018616531 /nfs/dbraw/zinc/61/65/31/1018616531.db2.gz UWDPNNADHOKORX-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001495669572 1018640009 /nfs/dbraw/zinc/64/00/09/1018640009.db2.gz SBGPHZIMWCFDGR-GZBFAFLISA-N 1 3 307.442 0.602 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001495669572 1018640013 /nfs/dbraw/zinc/64/00/13/1018640013.db2.gz SBGPHZIMWCFDGR-GZBFAFLISA-N 1 3 307.442 0.602 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498087696 1018642940 /nfs/dbraw/zinc/64/29/40/1018642940.db2.gz TUGUJODYXSGSIU-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC(C)(C)C ZINC001480573651 1018673980 /nfs/dbraw/zinc/67/39/80/1018673980.db2.gz IXGAPPVIFVFNMJ-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480592165 1018690162 /nfs/dbraw/zinc/69/01/62/1018690162.db2.gz XDKKDPUZFIZBMT-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480592165 1018690167 /nfs/dbraw/zinc/69/01/67/1018690167.db2.gz XDKKDPUZFIZBMT-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001480595818 1018692545 /nfs/dbraw/zinc/69/25/45/1018692545.db2.gz DJJZYMIMMJYBNZ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC001495915450 1018867400 /nfs/dbraw/zinc/86/74/00/1018867400.db2.gz TWFDBTNUMIVLPT-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001480770328 1018891814 /nfs/dbraw/zinc/89/18/14/1018891814.db2.gz SLOAYRGGTRXMFH-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001480814483 1018937506 /nfs/dbraw/zinc/93/75/06/1018937506.db2.gz YLVYWZQLQDQDKS-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001498327244 1018959003 /nfs/dbraw/zinc/95/90/03/1018959003.db2.gz JXVMLXFVRORERQ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001498327244 1018959020 /nfs/dbraw/zinc/95/90/20/1018959020.db2.gz JXVMLXFVRORERQ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001496195386 1019154614 /nfs/dbraw/zinc/15/46/14/1019154614.db2.gz MQXLABRCLNBYKE-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001496195386 1019154623 /nfs/dbraw/zinc/15/46/23/1019154623.db2.gz MQXLABRCLNBYKE-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001498559670 1019226860 /nfs/dbraw/zinc/22/68/60/1019226860.db2.gz ARXBDQXKABLWAU-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001498559670 1019226868 /nfs/dbraw/zinc/22/68/68/1019226868.db2.gz ARXBDQXKABLWAU-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001493257551 1019257680 /nfs/dbraw/zinc/25/76/80/1019257680.db2.gz UZINIQJCCWTWCM-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001493257551 1019257686 /nfs/dbraw/zinc/25/76/86/1019257686.db2.gz UZINIQJCCWTWCM-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001493257449 1019258053 /nfs/dbraw/zinc/25/80/53/1019258053.db2.gz UBXHCAYOPPIIST-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001493257449 1019258064 /nfs/dbraw/zinc/25/80/64/1019258064.db2.gz UBXHCAYOPPIIST-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001498610906 1019265500 /nfs/dbraw/zinc/26/55/00/1019265500.db2.gz MYKKZFMOAWUSAK-UONOGXRCSA-N 1 3 314.474 0.487 20 0 DCADHO C[C@H](NCc1cn(C)nn1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496444708 1019316800 /nfs/dbraw/zinc/31/68/00/1019316800.db2.gz BCRNTIPTPXLCHQ-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](CC[NH2+]CCCO)C2)CC1 ZINC001501631585 1019340586 /nfs/dbraw/zinc/34/05/86/1019340586.db2.gz ACKJTGDDMTVQIG-MRXNPFEDSA-N 1 3 311.470 0.929 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001501640430 1019347892 /nfs/dbraw/zinc/34/78/92/1019347892.db2.gz BRZNBLOEOLTFKS-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)n[nH]1 ZINC001498857486 1019478073 /nfs/dbraw/zinc/47/80/73/1019478073.db2.gz HYQMKJRNSPLTJR-ZDUSSCGKSA-N 1 3 318.425 0.193 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001501968442 1019598115 /nfs/dbraw/zinc/59/81/15/1019598115.db2.gz NOJNOXWTDZSEAS-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCC1 ZINC001501968442 1019598121 /nfs/dbraw/zinc/59/81/21/1019598121.db2.gz NOJNOXWTDZSEAS-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001493696102 1019637911 /nfs/dbraw/zinc/63/79/11/1019637911.db2.gz PJOGAWDRFGWEDD-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001493696102 1019637919 /nfs/dbraw/zinc/63/79/19/1019637919.db2.gz PJOGAWDRFGWEDD-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)CCn1cccn1 ZINC001496816678 1019666463 /nfs/dbraw/zinc/66/64/63/1019666463.db2.gz MKRUWGZSEDOWDN-OAHLLOKOSA-N 1 3 307.442 0.615 20 0 DCADHO CN(CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)CCn1cccn1 ZINC001496816678 1019666471 /nfs/dbraw/zinc/66/64/71/1019666471.db2.gz MKRUWGZSEDOWDN-OAHLLOKOSA-N 1 3 307.442 0.615 20 0 DCADHO CNC(=O)[C@H](C)NCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001493733049 1019671385 /nfs/dbraw/zinc/67/13/85/1019671385.db2.gz RZBHZNFJGSBSKH-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O)N1CCCC1 ZINC001496897741 1019742868 /nfs/dbraw/zinc/74/28/68/1019742868.db2.gz GQOKJZOSPZFDDH-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O)N1CCCC1 ZINC001496897739 1019744455 /nfs/dbraw/zinc/74/44/55/1019744455.db2.gz GQOKJZOSPZFDDH-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001493843491 1019752814 /nfs/dbraw/zinc/75/28/14/1019752814.db2.gz LFPUQVJYBNDIGA-AWEZNQCLSA-N 1 3 324.469 0.420 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001493931586 1019825881 /nfs/dbraw/zinc/82/58/81/1019825881.db2.gz FYYNHFLSSBSRKH-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001494162315 1020030125 /nfs/dbraw/zinc/03/01/25/1020030125.db2.gz IFZNYSOAMUQWRS-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@H](N2CCCCC2)C1 ZINC000333481967 295672752 /nfs/dbraw/zinc/67/27/52/295672752.db2.gz CEFLYIZHINPJBT-GJZGRUSLSA-N 1 3 310.442 0.635 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000340481792 282183390 /nfs/dbraw/zinc/18/33/90/282183390.db2.gz SUSNPIGCENIZFU-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000340481792 282183391 /nfs/dbraw/zinc/18/33/91/282183391.db2.gz SUSNPIGCENIZFU-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000182167250 199396423 /nfs/dbraw/zinc/39/64/23/199396423.db2.gz XDHZITFJINEIRB-OAHLLOKOSA-N 1 3 317.437 0.544 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000342708642 291049010 /nfs/dbraw/zinc/04/90/10/291049010.db2.gz NMDAMJBXXXITFO-KGLIPLIRSA-N 1 3 311.426 0.601 20 0 DCADHO CSCC[C@H](N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000157315534 291228031 /nfs/dbraw/zinc/22/80/31/291228031.db2.gz QWKUXJJVWAPION-OLZOCXBDSA-N 1 3 303.472 0.276 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000566008034 291263892 /nfs/dbraw/zinc/26/38/92/291263892.db2.gz FQDJADZNLANAGR-BFHYXJOUSA-N 1 3 300.447 0.912 20 0 DCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000410728133 239353642 /nfs/dbraw/zinc/35/36/42/239353642.db2.gz DHLCJBQNGMMVJS-ILXRZTDVSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCC1 ZINC000420085186 240017221 /nfs/dbraw/zinc/01/72/21/240017221.db2.gz NJNNIKXMMYHZKJ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423586814 240217115 /nfs/dbraw/zinc/21/71/15/240217115.db2.gz BPFPDERXLBDBDX-AWEZNQCLSA-N 1 3 310.442 0.271 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000457784096 241036763 /nfs/dbraw/zinc/03/67/63/241036763.db2.gz GSQJXGXRYWADNA-CABCVRRESA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000457784096 241036769 /nfs/dbraw/zinc/03/67/69/241036769.db2.gz GSQJXGXRYWADNA-CABCVRRESA-N 1 3 324.469 0.617 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)C2)CC1 ZINC000569455208 291479869 /nfs/dbraw/zinc/47/98/69/291479869.db2.gz BTBBZLYXMCUDAC-JYJNAYRXSA-N 1 3 308.470 0.611 20 0 DCADHO CN(C)C[C@@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569573717 291485085 /nfs/dbraw/zinc/48/50/85/291485085.db2.gz XBJDIOAZGQTSRC-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000572638869 291580747 /nfs/dbraw/zinc/58/07/47/291580747.db2.gz DNBWXWMAUJASNN-STQMWFEESA-N 1 3 323.441 0.947 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000572837052 291591869 /nfs/dbraw/zinc/59/18/69/291591869.db2.gz KYDUYRULHPPOTQ-HUUCEWRRSA-N 1 3 305.426 0.974 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000339574642 253107175 /nfs/dbraw/zinc/10/71/75/253107175.db2.gz AQBWAPLGDRXISJ-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000339585433 253109090 /nfs/dbraw/zinc/10/90/90/253109090.db2.gz XLORMIPMMCWNLX-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000339585433 253109092 /nfs/dbraw/zinc/10/90/92/253109092.db2.gz XLORMIPMMCWNLX-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000339666880 253123367 /nfs/dbraw/zinc/12/33/67/253123367.db2.gz AKIRIXBSYFDDTO-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH3+])CC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000340185765 253213052 /nfs/dbraw/zinc/21/30/52/253213052.db2.gz PFPKTHYWEHGALP-AWEZNQCLSA-N 1 3 305.426 0.447 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NCCN1CCC(C)CC1)C1CC1 ZINC000340202770 253215341 /nfs/dbraw/zinc/21/53/41/253215341.db2.gz PPXLYMDSTVCWBH-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCC(C)CC1)C1CC1 ZINC000340202770 253215343 /nfs/dbraw/zinc/21/53/43/253215343.db2.gz PPXLYMDSTVCWBH-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000340117134 253202288 /nfs/dbraw/zinc/20/22/88/253202288.db2.gz HLZUDBIXWKSIGH-HZPDHXFCSA-N 1 3 310.486 0.895 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000340117135 253202836 /nfs/dbraw/zinc/20/28/36/253202836.db2.gz HLZUDBIXWKSIGH-JKSUJKDBSA-N 1 3 310.486 0.895 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340485066 253264411 /nfs/dbraw/zinc/26/44/11/253264411.db2.gz QNKDISXTRAMEIH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340485066 253264413 /nfs/dbraw/zinc/26/44/13/253264413.db2.gz QNKDISXTRAMEIH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO COC(=O)C1CC[NH+](CCCNC(=O)CN(C)C(C)C)CC1 ZINC000340546709 253274046 /nfs/dbraw/zinc/27/40/46/253274046.db2.gz RPSXQDOPVDRKEV-UHFFFAOYSA-N 1 3 313.442 0.718 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(CCN2C(=O)CCC2=O)C1 ZINC000340691294 253292047 /nfs/dbraw/zinc/29/20/47/253292047.db2.gz VROORFHTIDBUQK-AWEZNQCLSA-N 1 3 311.426 0.568 20 0 DCADHO C[C@H](CN(C)C)NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H](C)C[NH+](C)C ZINC000346147461 254016211 /nfs/dbraw/zinc/01/62/11/254016211.db2.gz WRLHMOWHMQDUCO-AAVRWANBSA-N 1 3 314.474 0.391 20 0 DCADHO C[C@H](CN(C)C)NC(=O)[C@H](C)[C@H](C)C(=O)N[C@H](C)C[NH+](C)C ZINC000346147463 254016346 /nfs/dbraw/zinc/01/63/46/254016346.db2.gz WRLHMOWHMQDUCO-SYQHCUMBSA-N 1 3 314.474 0.391 20 0 DCADHO C[C@H](CN(C)C)NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H](C)C[NH+](C)C ZINC000346147463 254016347 /nfs/dbraw/zinc/01/63/47/254016347.db2.gz WRLHMOWHMQDUCO-SYQHCUMBSA-N 1 3 314.474 0.391 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000349940860 254305504 /nfs/dbraw/zinc/30/55/04/254305504.db2.gz XTTDMDUVSMTVKC-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000349940860 254305505 /nfs/dbraw/zinc/30/55/05/254305505.db2.gz XTTDMDUVSMTVKC-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000349968592 254306498 /nfs/dbraw/zinc/30/64/98/254306498.db2.gz HQNFRDYHDUKLMM-ZDUSSCGKSA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)(C)CCN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351554239 254346184 /nfs/dbraw/zinc/34/61/84/254346184.db2.gz CPMLVDAFLBPVQS-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@H](CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC[NH2+]1 ZINC000333143296 297399676 /nfs/dbraw/zinc/39/96/76/297399676.db2.gz LHUNJKWTEKYEAS-KFWWJZLASA-N 1 3 315.483 0.874 20 0 DCADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N(C)C ZINC000275592794 130342414 /nfs/dbraw/zinc/34/24/14/130342414.db2.gz JZJFVNMDPKGRIO-ZDUSSCGKSA-N 1 3 320.437 0.796 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000290137881 131456666 /nfs/dbraw/zinc/45/66/66/131456666.db2.gz MGGTYCHBQDKTPH-INIZCTEOSA-N 1 3 320.437 0.024 20 0 DCADHO C[C@@H](CO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761800 395854536 /nfs/dbraw/zinc/85/45/36/395854536.db2.gz XBDCHJMCPWINRU-CYBMUJFWSA-N 1 3 312.458 0.473 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000108565363 395791639 /nfs/dbraw/zinc/79/16/39/395791639.db2.gz RXIVVRKTPAIJMQ-INIZCTEOSA-N 1 3 324.469 0.881 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000108565363 395791642 /nfs/dbraw/zinc/79/16/42/395791642.db2.gz RXIVVRKTPAIJMQ-INIZCTEOSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236722387 395896604 /nfs/dbraw/zinc/89/66/04/395896604.db2.gz IOFSURQFLIIWAV-MJBXVCDLSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH2+]CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000237244067 395909022 /nfs/dbraw/zinc/90/90/22/395909022.db2.gz YGBZPBATOJHJFQ-UHFFFAOYSA-N 1 3 318.421 0.348 20 0 DCADHO CC[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000130623238 395923681 /nfs/dbraw/zinc/92/36/81/395923681.db2.gz RGZJYSGRLDRCEQ-MRXNPFEDSA-N 1 3 320.437 0.989 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000120071759 395880564 /nfs/dbraw/zinc/88/05/64/395880564.db2.gz JCJHAUSKIYDDBC-NVXWUHKLSA-N 1 3 322.453 0.901 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000261650511 396052543 /nfs/dbraw/zinc/05/25/43/396052543.db2.gz DGHFETLYJFMHRK-ZOBORPQBSA-N 1 3 301.456 0.327 20 0 DCADHO [NH3+]CCC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262171253 396106466 /nfs/dbraw/zinc/10/64/66/396106466.db2.gz QQTFCFUFQGMSGL-UHFFFAOYSA-N 1 3 304.438 0.659 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000171196080 396110374 /nfs/dbraw/zinc/11/03/74/396110374.db2.gz NVUKUZGNUQLTSD-CABCVRRESA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000171196080 396110377 /nfs/dbraw/zinc/11/03/77/396110377.db2.gz NVUKUZGNUQLTSD-CABCVRRESA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000262322721 396123693 /nfs/dbraw/zinc/12/36/93/396123693.db2.gz FJVITXCYDSKQCM-AWEZNQCLSA-N 1 3 304.438 0.645 20 0 DCADHO C[C@@H](C[NH3+])C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000262424311 396139222 /nfs/dbraw/zinc/13/92/22/396139222.db2.gz SCNZYNYEMWMMRP-INIZCTEOSA-N 1 3 318.465 0.857 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261968126 396084862 /nfs/dbraw/zinc/08/48/62/396084862.db2.gz PPUGBDACJIMNDH-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)[C@H]2C1 ZINC000262823944 396185162 /nfs/dbraw/zinc/18/51/62/396185162.db2.gz RKWDEGQWBOHMFI-YCPHGPKFSA-N 1 3 317.437 0.974 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000178886164 396212684 /nfs/dbraw/zinc/21/26/84/396212684.db2.gz HULSZGHEENQWDJ-CQSZACIVSA-N 1 3 307.442 0.661 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@](C)(O)C3)CC2)CC1 ZINC000185303998 396324687 /nfs/dbraw/zinc/32/46/87/396324687.db2.gz ICUMYPFYMPWAKC-QGZVFWFLSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@H]1CN(C(=O)/C=C/C[NH+](C)C)CCN1C(=O)/C=C/CN(C)C ZINC000265665827 396335053 /nfs/dbraw/zinc/33/50/53/396335053.db2.gz GCGHUJVGYTUEQK-YFGZNIQBSA-N 1 3 322.453 0.281 20 0 DCADHO C[C@H]1CN(C(=O)/C=C/CN(C)C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000265665827 396335056 /nfs/dbraw/zinc/33/50/56/396335056.db2.gz GCGHUJVGYTUEQK-YFGZNIQBSA-N 1 3 322.453 0.281 20 0 DCADHO C[NH+](C)CCOc1ccc(CNC(=O)C[C@H]2CNCCO2)cc1 ZINC000269232186 396397732 /nfs/dbraw/zinc/39/77/32/396397732.db2.gz JKLLCBPBVBFLGW-INIZCTEOSA-N 1 3 321.421 0.622 20 0 DCADHO CCN(C)C[C@H](O)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000514871434 396498264 /nfs/dbraw/zinc/49/82/64/396498264.db2.gz VMAGYFRIVLIJPB-HNNXBMFYSA-N 1 3 301.475 0.589 20 0 DCADHO CCN(C)C[C@H](O)C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000514871434 396498267 /nfs/dbraw/zinc/49/82/67/396498267.db2.gz VMAGYFRIVLIJPB-HNNXBMFYSA-N 1 3 301.475 0.589 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN(C)CC(C)(C)CN1CCOCC1 ZINC000514871434 396498272 /nfs/dbraw/zinc/49/82/72/396498272.db2.gz VMAGYFRIVLIJPB-HNNXBMFYSA-N 1 3 301.475 0.589 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN(C)CC(C)(C)CN1CCOCC1 ZINC000514871434 396498278 /nfs/dbraw/zinc/49/82/78/396498278.db2.gz VMAGYFRIVLIJPB-HNNXBMFYSA-N 1 3 301.475 0.589 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCC1 ZINC000514882654 396498627 /nfs/dbraw/zinc/49/86/27/396498627.db2.gz YOGUQFIXMVXZHE-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000519764354 396526068 /nfs/dbraw/zinc/52/60/68/396526068.db2.gz DBKXPIRROQWKOL-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000584843825 396629283 /nfs/dbraw/zinc/62/92/83/396629283.db2.gz SVLMWVXZZNKHOF-VNHYZAJKSA-N 1 3 320.441 0.773 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000584843825 396629286 /nfs/dbraw/zinc/62/92/86/396629286.db2.gz SVLMWVXZZNKHOF-VNHYZAJKSA-N 1 3 320.441 0.773 20 0 DCADHO COC(=O)CCN1CC[C@@H](N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000595896654 396678294 /nfs/dbraw/zinc/67/82/94/396678294.db2.gz SUNQPWGDAGVKDW-ZENOOKHLSA-N 1 3 309.410 0.211 20 0 DCADHO COC(=O)CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000595896654 396678297 /nfs/dbraw/zinc/67/82/97/396678297.db2.gz SUNQPWGDAGVKDW-ZENOOKHLSA-N 1 3 309.410 0.211 20 0 DCADHO COC(=O)CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000595896654 396678298 /nfs/dbraw/zinc/67/82/98/396678298.db2.gz SUNQPWGDAGVKDW-ZENOOKHLSA-N 1 3 309.410 0.211 20 0 DCADHO C[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000562913263 396685288 /nfs/dbraw/zinc/68/52/88/396685288.db2.gz HWTXPXQYEFYBDT-IIAWOOMASA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@H+]1CCCC[C@H]1C ZINC000562913263 396685291 /nfs/dbraw/zinc/68/52/91/396685291.db2.gz HWTXPXQYEFYBDT-IIAWOOMASA-N 1 3 312.458 0.615 20 0 DCADHO COC[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000562985820 396690085 /nfs/dbraw/zinc/69/00/85/396690085.db2.gz UIYJLDZWUATTSE-QGZVFWFLSA-N 1 3 307.438 0.531 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000563082563 396701221 /nfs/dbraw/zinc/70/12/21/396701221.db2.gz DXFPGNGISMRGFC-AWEZNQCLSA-N 1 3 314.499 0.177 20 0 DCADHO O[C@@H]1CCN(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000629546939 396782530 /nfs/dbraw/zinc/78/25/30/396782530.db2.gz RETMQVMDRCWVOF-KYJSFNMBSA-N 1 3 317.433 0.899 20 0 DCADHO O=C(NCCCNC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000629559543 396788796 /nfs/dbraw/zinc/78/87/96/396788796.db2.gz BHOJVMAYPQNBPS-MRXNPFEDSA-N 1 3 323.412 0.992 20 0 DCADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000563440709 396735831 /nfs/dbraw/zinc/73/58/31/396735831.db2.gz JPBXCWCITJFBMV-ZLKJLUDKSA-N 1 3 302.378 0.090 20 0 DCADHO O[C@@H](C[NH2+]CCOCC(F)(F)C(F)F)CN1CCCC1 ZINC000629577418 396796094 /nfs/dbraw/zinc/79/60/94/396796094.db2.gz ZENHHVVISQXLAJ-JTQLQIEISA-N 1 3 302.312 0.950 20 0 DCADHO c1ccn2c(c1)nnc2[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000563712109 396771476 /nfs/dbraw/zinc/77/14/76/396771476.db2.gz DJLBQSGFXBTNEP-OAHLLOKOSA-N 1 3 314.437 0.814 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000629799728 396839449 /nfs/dbraw/zinc/83/94/49/396839449.db2.gz KVRMVZPDFYFRGA-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CC[C@H](C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)N(C)C ZINC000629613664 396810293 /nfs/dbraw/zinc/81/02/93/396810293.db2.gz QPZHRHMTUQYKLM-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000332016515 396879731 /nfs/dbraw/zinc/87/97/31/396879731.db2.gz QAFSEGCJSRBSTK-KFWWJZLASA-N 1 3 312.458 0.866 20 0 DCADHO CN(CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCC1 ZINC000629956075 396893876 /nfs/dbraw/zinc/89/38/76/396893876.db2.gz VRQYIWDRVRMGQP-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCC1 ZINC000629956075 396893884 /nfs/dbraw/zinc/89/38/84/396893884.db2.gz VRQYIWDRVRMGQP-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634762230 396910163 /nfs/dbraw/zinc/91/01/63/396910163.db2.gz RZDVKQGANBKFGR-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000376532093 396942827 /nfs/dbraw/zinc/94/28/27/396942827.db2.gz QWJOTJPLWWBMHP-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000376532093 396942833 /nfs/dbraw/zinc/94/28/33/396942833.db2.gz QWJOTJPLWWBMHP-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000571833380 396992595 /nfs/dbraw/zinc/99/25/95/396992595.db2.gz RYGYHRZVUGTCCD-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000571833380 396992602 /nfs/dbraw/zinc/99/26/02/396992602.db2.gz RYGYHRZVUGTCCD-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCO1 ZINC000376939618 396999834 /nfs/dbraw/zinc/99/98/34/396999834.db2.gz ALSPXRKJLBGMCP-AWEZNQCLSA-N 1 3 311.426 0.208 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000571921533 397000742 /nfs/dbraw/zinc/00/07/42/397000742.db2.gz XLTWASHQSDEAIG-DGAVXFQQSA-N 1 3 310.442 0.314 20 0 DCADHO COCC[N@H+](C)C[C@@H](O)CN1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000571936836 397003918 /nfs/dbraw/zinc/00/39/18/397003918.db2.gz ICAKYRKPCPYLJW-ZIAGYGMSSA-N 1 3 314.426 0.201 20 0 DCADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000571936836 397003925 /nfs/dbraw/zinc/00/39/25/397003925.db2.gz ICAKYRKPCPYLJW-ZIAGYGMSSA-N 1 3 314.426 0.201 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000571985099 397009132 /nfs/dbraw/zinc/00/91/32/397009132.db2.gz XLRLTHUSUPIOQT-CQSZACIVSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000572361631 397051261 /nfs/dbraw/zinc/05/12/61/397051261.db2.gz VEVNKWIQRURVFB-YPMHNXCESA-N 1 3 306.414 0.230 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612982194 397171110 /nfs/dbraw/zinc/17/11/10/397171110.db2.gz IKHVLSUCXJTXPT-ZIAGYGMSSA-N 1 3 310.442 0.275 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612982193 397171164 /nfs/dbraw/zinc/17/11/64/397171164.db2.gz IKHVLSUCXJTXPT-UONOGXRCSA-N 1 3 310.442 0.275 20 0 DCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612994971 397176204 /nfs/dbraw/zinc/17/62/04/397176204.db2.gz KBSZRCGQBMDFKU-HUUCEWRRSA-N 1 3 322.453 0.681 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000572959274 397115479 /nfs/dbraw/zinc/11/54/79/397115479.db2.gz BCAFUTKKBVNVLW-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)N1CC(C)C1 ZINC000573739065 397200216 /nfs/dbraw/zinc/20/02/16/397200216.db2.gz BBMUWMJQBJWFDF-OAHLLOKOSA-N 1 3 310.486 0.716 20 0 DCADHO C[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)N1CC(C)C1 ZINC000573739065 397200221 /nfs/dbraw/zinc/20/02/21/397200221.db2.gz BBMUWMJQBJWFDF-OAHLLOKOSA-N 1 3 310.486 0.716 20 0 DCADHO Cc1ccccc1[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000573799473 397206545 /nfs/dbraw/zinc/20/65/45/397206545.db2.gz STTHLTDJVCBIPP-YOEHRIQHSA-N 1 3 318.465 0.995 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592565126 397217109 /nfs/dbraw/zinc/21/71/09/397217109.db2.gz SLDHBFKIJFYUES-GFCCVEGCSA-N 1 3 305.426 0.885 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000574636337 397286986 /nfs/dbraw/zinc/28/69/86/397286986.db2.gz ZJHMYRZONXNXRN-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592956073 397301210 /nfs/dbraw/zinc/30/12/10/397301210.db2.gz QRGWTYVPIQTHDL-CHWSQXEVSA-N 1 3 305.426 0.933 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000577727657 397355885 /nfs/dbraw/zinc/35/58/85/397355885.db2.gz WOKHJFINUAUQPG-ILXRZTDVSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000578055110 397383857 /nfs/dbraw/zinc/38/38/57/397383857.db2.gz BVQQCGUWYHOAHG-RRFJBIMHSA-N 1 3 322.453 0.317 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000578458351 397439972 /nfs/dbraw/zinc/43/99/72/397439972.db2.gz UDYKLJRXRDHOLR-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C[C@H](O)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000578518789 397446635 /nfs/dbraw/zinc/44/66/35/397446635.db2.gz FGKYAHQOWVDANC-KRWDZBQOSA-N 1 3 313.486 0.733 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CCC(CCN2CCOCC2)CC1 ZINC000578518789 397446639 /nfs/dbraw/zinc/44/66/39/397446639.db2.gz FGKYAHQOWVDANC-KRWDZBQOSA-N 1 3 313.486 0.733 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CCC(CCN2CCOCC2)CC1 ZINC000578518789 397446641 /nfs/dbraw/zinc/44/66/41/397446641.db2.gz FGKYAHQOWVDANC-KRWDZBQOSA-N 1 3 313.486 0.733 20 0 DCADHO CN(C)CCOCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000471633006 397447226 /nfs/dbraw/zinc/44/72/26/397447226.db2.gz ABQFPIAGUAGGDS-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3COC(=O)C3)CC2)CC1 ZINC000157134807 158351566 /nfs/dbraw/zinc/35/15/66/158351566.db2.gz AEOYTEFJAVVRTE-CYBMUJFWSA-N 1 3 323.437 0.614 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000169001159 158372593 /nfs/dbraw/zinc/37/25/93/158372593.db2.gz CGGGKQIOKWLZBJ-JYJNAYRXSA-N 1 3 303.406 0.490 20 0 DCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263263631 158867351 /nfs/dbraw/zinc/86/73/51/158867351.db2.gz UIUSOQVUENHQMK-HIFRSBDPSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000359278916 159260614 /nfs/dbraw/zinc/26/06/14/159260614.db2.gz UVMCINUUWIVHIQ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000359278916 159260616 /nfs/dbraw/zinc/26/06/16/159260616.db2.gz UVMCINUUWIVHIQ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000368363642 159389648 /nfs/dbraw/zinc/38/96/48/159389648.db2.gz SXMZXNJIMKWTKH-FVQHAEBGSA-N 1 3 314.433 0.776 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CCN(C)CC1)C[NH+]1CCCC1 ZINC000340802202 286856067 /nfs/dbraw/zinc/85/60/67/286856067.db2.gz SMCICRWEMYAAFG-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCCC2CC[NH+](C)CC2)CC1=O ZINC000081315502 286928920 /nfs/dbraw/zinc/92/89/20/286928920.db2.gz IOHQZAZDQODSKM-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000262553261 287128357 /nfs/dbraw/zinc/12/83/57/287128357.db2.gz UGKRCKLPYVNJMB-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@@H](C)N[C@@H](CNC(=O)N(CC[NH3+])CCO)c1ccco1 ZINC000418171440 287239831 /nfs/dbraw/zinc/23/98/31/287239831.db2.gz UTHGPMVZAMSBRI-OLZOCXBDSA-N 1 3 312.414 0.671 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000418173073 287240114 /nfs/dbraw/zinc/24/01/14/287240114.db2.gz PUOSDSDDOWNHAT-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419024250 287263188 /nfs/dbraw/zinc/26/31/88/287263188.db2.gz FGSYKUONXQLTSX-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCCC[NH3+])C1 ZINC000419047893 287263859 /nfs/dbraw/zinc/26/38/59/287263859.db2.gz UHMBDGMMWITOSD-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419149727 287269489 /nfs/dbraw/zinc/26/94/89/287269489.db2.gz LGWICNOALIVRJQ-JSGCOSHPSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419223780 287274687 /nfs/dbraw/zinc/27/46/87/287274687.db2.gz DMCVKSWGAJXNOJ-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000419338443 287281193 /nfs/dbraw/zinc/28/11/93/287281193.db2.gz SOOFDOCYFFWORN-OUCADQQQSA-N 1 3 310.442 0.075 20 0 DCADHO CC[NH+](CC)CCCN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000420298739 287286706 /nfs/dbraw/zinc/28/67/06/287286706.db2.gz SLWQVHWUVCXXBB-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000332099927 415242088 /nfs/dbraw/zinc/24/20/88/415242088.db2.gz QZLHBCIIYXJAPG-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CCCCC1 ZINC000332106016 415246404 /nfs/dbraw/zinc/24/64/04/415246404.db2.gz UHEAKRYSVRYZRJ-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000422884801 287301014 /nfs/dbraw/zinc/30/10/14/287301014.db2.gz XNCYVNDWWJFTOD-OWCLPIDISA-N 1 3 310.486 0.907 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]3CN)C2)CC1 ZINC000332219537 415301040 /nfs/dbraw/zinc/30/10/40/415301040.db2.gz XTXHMVFJACFJKA-CABCVRRESA-N 1 3 322.453 0.126 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342900126 415348065 /nfs/dbraw/zinc/34/80/65/415348065.db2.gz ZHXGHZHYVAOHHI-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000074160526 415429070 /nfs/dbraw/zinc/42/90/70/415429070.db2.gz FRTIFOARIAVRRV-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000074160526 415429078 /nfs/dbraw/zinc/42/90/78/415429078.db2.gz FRTIFOARIAVRRV-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343200900 415498292 /nfs/dbraw/zinc/49/82/92/415498292.db2.gz CBCWOTWIKMFRRX-TWMKSMIVSA-N 1 3 322.497 0.859 20 0 DCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343200900 415498300 /nfs/dbraw/zinc/49/83/00/415498300.db2.gz CBCWOTWIKMFRRX-TWMKSMIVSA-N 1 3 322.497 0.859 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)C[NH+]1CCCCC1 ZINC000343200697 415501012 /nfs/dbraw/zinc/50/10/12/415501012.db2.gz UMUZEPJQEZQHMT-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332678626 415434182 /nfs/dbraw/zinc/43/41/82/415434182.db2.gz TYRRAAINDXWSLR-MELADBBJSA-N 1 3 308.426 0.021 20 0 DCADHO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000343080712 415435958 /nfs/dbraw/zinc/43/59/58/415435958.db2.gz GARCTOADPGDSCP-QGZVFWFLSA-N 1 3 316.449 0.754 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343152538 415474597 /nfs/dbraw/zinc/47/45/97/415474597.db2.gz OUQWRSQOIRLTTK-BZUAXINKSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343152538 415474602 /nfs/dbraw/zinc/47/46/02/415474602.db2.gz OUQWRSQOIRLTTK-BZUAXINKSA-N 1 3 308.470 0.613 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000353309099 415504135 /nfs/dbraw/zinc/50/41/35/415504135.db2.gz BJMMRFRMIACWML-OAHLLOKOSA-N 1 3 311.474 0.360 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000353309099 415504143 /nfs/dbraw/zinc/50/41/43/415504143.db2.gz BJMMRFRMIACWML-OAHLLOKOSA-N 1 3 311.474 0.360 20 0 DCADHO C[C@H]1C[C@@H](O)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000332963189 415514815 /nfs/dbraw/zinc/51/48/15/415514815.db2.gz CLTYRPHMBQOTJQ-XJKSGUPXSA-N 1 3 324.469 0.710 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000353467515 415554856 /nfs/dbraw/zinc/55/48/56/415554856.db2.gz LRQOHQYNMVYJAI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343342194 415567769 /nfs/dbraw/zinc/56/77/69/415567769.db2.gz VASDGUWXGNQTES-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333360422 415621078 /nfs/dbraw/zinc/62/10/78/415621078.db2.gz KYLQRXRSAPMYSZ-YJNKXOJESA-N 1 3 310.442 0.394 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000343582145 415646363 /nfs/dbraw/zinc/64/63/63/415646363.db2.gz XQYYEIOISSENMN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000343582145 415646372 /nfs/dbraw/zinc/64/63/72/415646372.db2.gz XQYYEIOISSENMN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343403701 415590388 /nfs/dbraw/zinc/59/03/88/415590388.db2.gz NJYWLGMQYFPIIW-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343403701 415590391 /nfs/dbraw/zinc/59/03/91/415590391.db2.gz NJYWLGMQYFPIIW-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000353554543 415591079 /nfs/dbraw/zinc/59/10/79/415591079.db2.gz XFTGTSJEQREFQW-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000353554543 415591083 /nfs/dbraw/zinc/59/10/83/415591083.db2.gz XFTGTSJEQREFQW-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000343665759 415675896 /nfs/dbraw/zinc/67/58/96/415675896.db2.gz KPLPMDZGCYFTKL-GDBMZVCRSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000343665759 415675903 /nfs/dbraw/zinc/67/59/03/415675903.db2.gz KPLPMDZGCYFTKL-GDBMZVCRSA-N 1 3 306.454 0.509 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343778660 415723025 /nfs/dbraw/zinc/72/30/25/415723025.db2.gz ZKHPRIUEFJHZAP-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343778660 415723030 /nfs/dbraw/zinc/72/30/30/415723030.db2.gz ZKHPRIUEFJHZAP-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C[C@@H](O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336863053 415846200 /nfs/dbraw/zinc/84/62/00/415846200.db2.gz HQVZPUHNMOQCRZ-NVXWUHKLSA-N 1 3 311.470 0.486 20 0 DCADHO CN(C[C@@H](O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336863053 415846207 /nfs/dbraw/zinc/84/62/07/415846207.db2.gz HQVZPUHNMOQCRZ-NVXWUHKLSA-N 1 3 311.470 0.486 20 0 DCADHO C[N@H+](C[C@@H](O)CN1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336863053 415846211 /nfs/dbraw/zinc/84/62/11/415846211.db2.gz HQVZPUHNMOQCRZ-NVXWUHKLSA-N 1 3 311.470 0.486 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336863053 415846218 /nfs/dbraw/zinc/84/62/18/415846218.db2.gz HQVZPUHNMOQCRZ-NVXWUHKLSA-N 1 3 311.470 0.486 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000343976438 415806962 /nfs/dbraw/zinc/80/69/62/415806962.db2.gz JQVNPGKNZRLMPU-DLBZAZTESA-N 1 3 320.481 0.757 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000343976438 415806968 /nfs/dbraw/zinc/80/69/68/415806968.db2.gz JQVNPGKNZRLMPU-DLBZAZTESA-N 1 3 320.481 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000356261751 415893573 /nfs/dbraw/zinc/89/35/73/415893573.db2.gz SZEOIIIOQYGORY-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000356261751 415893575 /nfs/dbraw/zinc/89/35/75/415893575.db2.gz SZEOIIIOQYGORY-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130534963 415921053 /nfs/dbraw/zinc/92/10/53/415921053.db2.gz AXPPALMEIZODCC-UHFFFAOYSA-N 1 3 320.437 0.885 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCOC[C@@H]2C)CC[C@@H]1N1CCN(C)CC1 ZINC000337180357 415921345 /nfs/dbraw/zinc/92/13/45/415921345.db2.gz LSXQRFARHZDTBJ-SQNIBIBYSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCOC[C@@H]2C)CC[C@@H]1N1CCN(C)CC1 ZINC000337180357 415921348 /nfs/dbraw/zinc/92/13/48/415921348.db2.gz LSXQRFARHZDTBJ-SQNIBIBYSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CCN2CCOC[C@@H]2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000337180357 415921352 /nfs/dbraw/zinc/92/13/52/415921352.db2.gz LSXQRFARHZDTBJ-SQNIBIBYSA-N 1 3 324.513 0.665 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)N(C)C ZINC000125060555 415858758 /nfs/dbraw/zinc/85/87/58/415858758.db2.gz RWCGGZPSNYIWLO-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)N(C)C ZINC000125060555 415858761 /nfs/dbraw/zinc/85/87/61/415858761.db2.gz RWCGGZPSNYIWLO-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000338082910 416042542 /nfs/dbraw/zinc/04/25/42/416042542.db2.gz OIJIFZNYRDVHEC-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000338082910 416042545 /nfs/dbraw/zinc/04/25/45/416042545.db2.gz OIJIFZNYRDVHEC-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000338091154 416043867 /nfs/dbraw/zinc/04/38/67/416043867.db2.gz XOAXBDFDEVKWPE-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000338091154 416043868 /nfs/dbraw/zinc/04/38/68/416043868.db2.gz XOAXBDFDEVKWPE-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000175737579 416112114 /nfs/dbraw/zinc/11/21/14/416112114.db2.gz BMLCXZBCBGCYQC-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000322749469 416120831 /nfs/dbraw/zinc/12/08/31/416120831.db2.gz CAAVHYRISMQLMN-HOCLYGCPSA-N 1 3 319.453 0.543 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000358134877 416199873 /nfs/dbraw/zinc/19/98/73/416199873.db2.gz QTPQVBYXJKGLMJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000358134877 416199876 /nfs/dbraw/zinc/19/98/76/416199876.db2.gz QTPQVBYXJKGLMJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341092817 416203543 /nfs/dbraw/zinc/20/35/43/416203543.db2.gz DYBIRFAXCXKPIE-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000358504043 416245081 /nfs/dbraw/zinc/24/50/81/416245081.db2.gz QTDXZMHJDARTDJ-KGLIPLIRSA-N 1 3 312.458 0.831 20 0 DCADHO Cn1ccc(N2CCC[C@H](N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C2=O)n1 ZINC000342126728 416284872 /nfs/dbraw/zinc/28/48/72/416284872.db2.gz FAGXBHJYMPDATL-XGUBFFRZSA-N 1 3 317.437 0.975 20 0 DCADHO Cn1ccc(N2CCC[C@H](N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)C2=O)n1 ZINC000342126724 416285300 /nfs/dbraw/zinc/28/53/00/416285300.db2.gz FAGXBHJYMPDATL-AJNGGQMLSA-N 1 3 317.437 0.975 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CCC([NH+](C)C)CC2)n1 ZINC000331232492 416292463 /nfs/dbraw/zinc/29/24/63/416292463.db2.gz FLYIRABMLJJLBN-UHFFFAOYSA-N 1 3 308.430 1.003 20 0 DCADHO CCN(CCO)CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415965825 416358205 /nfs/dbraw/zinc/35/82/05/416358205.db2.gz VJOPRMUQTCCDKV-CYBMUJFWSA-N 1 3 321.425 0.333 20 0 DCADHO CC[N@H+](CCO)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415992213 416358488 /nfs/dbraw/zinc/35/84/88/416358488.db2.gz QSEFNCFQAZDNMK-UHFFFAOYSA-N 1 3 322.409 0.604 20 0 DCADHO CC[N@@H+](CCO)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415992213 416358490 /nfs/dbraw/zinc/35/84/90/416358490.db2.gz QSEFNCFQAZDNMK-UHFFFAOYSA-N 1 3 322.409 0.604 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000415479200 416345157 /nfs/dbraw/zinc/34/51/57/416345157.db2.gz HDSZLPGINYVRGI-CQSZACIVSA-N 1 3 318.421 0.679 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415508016 416345806 /nfs/dbraw/zinc/34/58/06/416345806.db2.gz DZRPCBIFRAJECS-NSHDSACASA-N 1 3 306.410 0.706 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N(C)CCN(C)C)[NH+]1CCCCC1 ZINC000359711711 416354370 /nfs/dbraw/zinc/35/43/70/416354370.db2.gz GCDIWEUCWGXPHX-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)C[NH+]1CCCCC1 ZINC000420067761 416416945 /nfs/dbraw/zinc/41/69/45/416416945.db2.gz SZMXPLLTWRLWLD-GXTWGEPZSA-N 1 3 310.442 0.078 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000417560389 416383172 /nfs/dbraw/zinc/38/31/72/416383172.db2.gz ZRVICSMDEVWJDW-LSDHHAIUSA-N 1 3 312.458 0.929 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000417560389 416383174 /nfs/dbraw/zinc/38/31/74/416383174.db2.gz ZRVICSMDEVWJDW-LSDHHAIUSA-N 1 3 312.458 0.929 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CNCCO1)C(C)(C)C ZINC000417683225 416383905 /nfs/dbraw/zinc/38/39/05/416383905.db2.gz UPQHUTWGQRXVHH-STQMWFEESA-N 1 3 300.447 0.640 20 0 DCADHO CSC1(CNC(=O)NC[C@H]([NH3+])C2CC2)CCN(C)CC1 ZINC000418203914 416386124 /nfs/dbraw/zinc/38/61/24/416386124.db2.gz WQLCKRFHNHIFMF-LBPRGKRZSA-N 1 3 300.472 0.850 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000418554483 416387485 /nfs/dbraw/zinc/38/74/85/416387485.db2.gz IHTQYAOSVSGJJA-KFWWJZLASA-N 1 3 312.458 0.519 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419414621 416401059 /nfs/dbraw/zinc/40/10/59/416401059.db2.gz UASNGQPZQOJVGF-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000419624549 416404900 /nfs/dbraw/zinc/40/49/00/416404900.db2.gz KHSUKTGLPNXHKO-KCQAQPDRSA-N 1 3 322.453 0.481 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419754793 416408817 /nfs/dbraw/zinc/40/88/17/416408817.db2.gz AQSQAERUOKDGMC-STQMWFEESA-N 1 3 312.458 0.323 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419756385 416409217 /nfs/dbraw/zinc/40/92/17/416409217.db2.gz AXXKMVCWHADPFG-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO COC(=O)c1cn(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)nn1 ZINC000423108869 416468213 /nfs/dbraw/zinc/46/82/13/416468213.db2.gz RPNPZKBUYGIJOB-OLZOCXBDSA-N 1 3 309.414 0.965 20 0 DCADHO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000423156220 416470772 /nfs/dbraw/zinc/47/07/72/416470772.db2.gz KNVPNKAZDWPRAE-NWANDNLSSA-N 1 3 313.467 0.862 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423152214 416471279 /nfs/dbraw/zinc/47/12/79/416471279.db2.gz LFOPUHJNIQSNCD-KBPBESRZSA-N 1 3 308.426 0.023 20 0 DCADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423171901 416472671 /nfs/dbraw/zinc/47/26/71/416472671.db2.gz QLUCCNXYQKZXBD-KGLIPLIRSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)CCN1C ZINC000361754764 416488795 /nfs/dbraw/zinc/48/87/95/416488795.db2.gz NZGZLNPSAWPJQF-WMZOPIPTSA-N 1 3 324.513 0.855 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000458245766 416447998 /nfs/dbraw/zinc/44/79/98/416447998.db2.gz VISONAXKLJKCEO-HUUCEWRRSA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000458245766 416448004 /nfs/dbraw/zinc/44/80/04/416448004.db2.gz VISONAXKLJKCEO-HUUCEWRRSA-N 1 3 314.474 0.863 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458246389 416448557 /nfs/dbraw/zinc/44/85/57/416448557.db2.gz WEJASUJJEMPSNX-INIZCTEOSA-N 1 3 312.458 0.692 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458246389 416448563 /nfs/dbraw/zinc/44/85/63/416448563.db2.gz WEJASUJJEMPSNX-INIZCTEOSA-N 1 3 312.458 0.692 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361569608 416452255 /nfs/dbraw/zinc/45/22/55/416452255.db2.gz ZGPZQZOUJDKBRX-INIZCTEOSA-N 1 3 310.442 0.173 20 0 DCADHO CC1CC[NH+](C[C@H](O)CN[C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422981450 416455467 /nfs/dbraw/zinc/45/54/67/416455467.db2.gz SWEBCGDSGCEYBK-BRWVUGGUSA-N 1 3 311.470 0.436 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000422975893 416455631 /nfs/dbraw/zinc/45/56/31/416455631.db2.gz UGYAWGOCPRDABM-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423521491 416521838 /nfs/dbraw/zinc/52/18/38/416521838.db2.gz WZMHZBKEJITLLR-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000423760508 416562044 /nfs/dbraw/zinc/56/20/44/416562044.db2.gz NLKOUEOAQRKGTI-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000423747800 416557355 /nfs/dbraw/zinc/55/73/55/416557355.db2.gz SULYUOWSYIJOGG-HZPDHXFCSA-N 1 3 305.422 0.820 20 0 DCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000534277934 416496317 /nfs/dbraw/zinc/49/63/17/416496317.db2.gz CTABHFQFBCDMGH-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CN(C)C[C@@](C)(O)CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000458858405 416507017 /nfs/dbraw/zinc/50/70/17/416507017.db2.gz UBVHJBDHPMQFMF-INIZCTEOSA-N 1 3 314.474 0.864 20 0 DCADHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000435061571 416509638 /nfs/dbraw/zinc/50/96/38/416509638.db2.gz QJRKWOBXBDJUFA-JTQLQIEISA-N 1 3 324.347 0.648 20 0 DCADHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000435061571 416509642 /nfs/dbraw/zinc/50/96/42/416509642.db2.gz QJRKWOBXBDJUFA-JTQLQIEISA-N 1 3 324.347 0.648 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423764453 416563960 /nfs/dbraw/zinc/56/39/60/416563960.db2.gz XNLCYMQLLHWGMN-RDJZCZTQSA-N 1 3 310.486 0.990 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000438700497 416602388 /nfs/dbraw/zinc/60/23/88/416602388.db2.gz YSZKWSLENGXKBG-CYBMUJFWSA-N 1 3 310.446 1.297 20 0 DCADHO NC(C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C(F)(F)F ZINC000424033982 416607000 /nfs/dbraw/zinc/60/70/00/416607000.db2.gz ZCLIFDPHDORZPJ-JMJZKYOTSA-N 1 3 305.275 0.968 20 0 DCADHO N[C@H]1Cc2ccccc2N(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424069768 416608164 /nfs/dbraw/zinc/60/81/64/416608164.db2.gz CEFGEIGKLOJGQH-KBPBESRZSA-N 1 3 316.405 0.161 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424141776 416615456 /nfs/dbraw/zinc/61/54/56/416615456.db2.gz XJCMAPKXTBJSKL-KGLIPLIRSA-N 1 3 320.441 0.616 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000424138644 416616285 /nfs/dbraw/zinc/61/62/85/416616285.db2.gz DLKWHFTYQALZDO-LSDHHAIUSA-N 1 3 316.405 0.798 20 0 DCADHO COCCCN(C)CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424149849 416618231 /nfs/dbraw/zinc/61/82/31/416618231.db2.gz XOXWTEYRJKHZDI-ZDUSSCGKSA-N 1 3 323.441 0.575 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](CN)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424222177 416629328 /nfs/dbraw/zinc/62/93/28/416629328.db2.gz CYTJFRJQWBJMBA-HRCADAONSA-N 1 3 313.405 0.416 20 0 DCADHO O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000543180005 416638129 /nfs/dbraw/zinc/63/81/29/416638129.db2.gz CZPVOLOZAXPEPO-MAZHCROVSA-N 1 3 307.438 0.432 20 0 DCADHO C[C@@H]1CN(CCc2ccnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367258726 416643866 /nfs/dbraw/zinc/64/38/66/416643866.db2.gz RYIASQAZUVFNBG-WBVHZDCISA-N 1 3 305.470 0.920 20 0 DCADHO [NH3+]CC[C@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000443057323 416729079 /nfs/dbraw/zinc/72/90/79/416729079.db2.gz GGUDTVDBOVUPAO-CYBMUJFWSA-N 1 3 308.426 0.912 20 0 DCADHO C[C@@H](NS(=O)(=O)CCCN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000631902802 416786649 /nfs/dbraw/zinc/78/66/49/416786649.db2.gz RCXOOISIMKDECZ-KGLIPLIRSA-N 1 3 303.472 0.780 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000631934203 416812695 /nfs/dbraw/zinc/81/26/95/416812695.db2.gz RWDVFQGVVREJKM-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444173133 416814236 /nfs/dbraw/zinc/81/42/36/416814236.db2.gz TVHAFGPUQCQBCC-GRDNDAEWSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)OC1CC([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000428103117 416875335 /nfs/dbraw/zinc/87/53/35/416875335.db2.gz XVAGSJHZEKXZBK-UHFFFAOYSA-N 1 3 313.486 0.922 20 0 DCADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC000444270606 416827390 /nfs/dbraw/zinc/82/73/90/416827390.db2.gz RTLJCLTZFFTJGR-QGZVFWFLSA-N 1 3 316.449 0.802 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CCC1 ZINC000565122244 416926366 /nfs/dbraw/zinc/92/63/66/416926366.db2.gz HGZDRPHOKJKHGI-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C1=CCN(C)CC1 ZINC000521614494 417020495 /nfs/dbraw/zinc/02/04/95/417020495.db2.gz RJKLTDABOVIOHO-QSJFSLAZSA-N 1 3 311.470 0.697 20 0 DCADHO C[NH2+]CCOCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000624395723 417028096 /nfs/dbraw/zinc/02/80/96/417028096.db2.gz LFMHQLVMNZWKOG-UHFFFAOYSA-N 1 3 315.439 0.263 20 0 DCADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCCNCC1 ZINC000641824917 417010297 /nfs/dbraw/zinc/01/02/97/417010297.db2.gz OEAIEUCIJPVMPA-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[C@H]1C[NH3+] ZINC000642785810 417101963 /nfs/dbraw/zinc/10/19/63/417101963.db2.gz MBAPDPAPBUMWBD-SNPRPXQTSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430551994 417043135 /nfs/dbraw/zinc/04/31/35/417043135.db2.gz AKKAKGQQECBEDU-VHSXEESVSA-N 1 3 324.347 0.824 20 0 DCADHO C[C@@](C[NH3+])(NCCC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000430563693 287346260 /nfs/dbraw/zinc/34/62/60/287346260.db2.gz WZMZIIFPRMBVMG-NSHDSACASA-N 1 3 310.320 0.482 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000642431191 417051176 /nfs/dbraw/zinc/05/11/76/417051176.db2.gz QJGMHFASASMFON-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000642439653 417051317 /nfs/dbraw/zinc/05/13/17/417051317.db2.gz MWWCYKBXCVSTDU-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000642439639 417051888 /nfs/dbraw/zinc/05/18/88/417051888.db2.gz MLJFUNSDRXZETM-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000642439388 417052899 /nfs/dbraw/zinc/05/28/99/417052899.db2.gz DTOVUXKWSNACEE-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N1CCC(C)CC1 ZINC000642644533 417066085 /nfs/dbraw/zinc/06/60/85/417066085.db2.gz ZHKXHILVKXPOTK-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)C1(CNC(=O)COC2CNC2)Cc2ccccc2C1 ZINC000430796791 417067284 /nfs/dbraw/zinc/06/72/84/417067284.db2.gz BLHCVQWQGRVJJL-UHFFFAOYSA-N 1 3 303.406 0.190 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC([C@H](C)[NH3+])CC2)C1 ZINC000430929540 417082472 /nfs/dbraw/zinc/08/24/72/417082472.db2.gz OZPMYBFYBNJORC-SWLSCSKDSA-N 1 3 310.442 0.173 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000642731714 417084244 /nfs/dbraw/zinc/08/42/44/417084244.db2.gz SLIJWBAGOBDUQJ-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CCNC(=O)CN1CCNCC1)[N@H+](C)Cc1ccccc1 ZINC000379682795 417084616 /nfs/dbraw/zinc/08/46/16/417084616.db2.gz YXQQYSYXPKXGGA-MRXNPFEDSA-N 1 3 318.465 0.918 20 0 DCADHO C[C@H](CCNC(=O)CN1CCNCC1)[N@@H+](C)Cc1ccccc1 ZINC000379682795 417084625 /nfs/dbraw/zinc/08/46/25/417084625.db2.gz YXQQYSYXPKXGGA-MRXNPFEDSA-N 1 3 318.465 0.918 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642732148 417084573 /nfs/dbraw/zinc/08/45/73/417084573.db2.gz HOSFNYDYQDYTDT-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000637374344 417086746 /nfs/dbraw/zinc/08/67/46/417086746.db2.gz WLHCEUPERRSICM-NVXWUHKLSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000637374344 417086755 /nfs/dbraw/zinc/08/67/55/417086755.db2.gz WLHCEUPERRSICM-NVXWUHKLSA-N 1 3 324.469 0.759 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642929554 417128585 /nfs/dbraw/zinc/12/85/85/417128585.db2.gz AQKQTCJTKUXRLX-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CC[NH+](CC)CCN(CCOC)C(=O)C[C@@H]1CNCCO1 ZINC000430731733 287351707 /nfs/dbraw/zinc/35/17/07/287351707.db2.gz XLAIJOPHPKVZJJ-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919361 417125601 /nfs/dbraw/zinc/12/56/01/417125601.db2.gz XZRBNKNSIZGJDV-BETUJISGSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000616998539 417147677 /nfs/dbraw/zinc/14/76/77/417147677.db2.gz PZNQWCDGKSPSRW-LSDHHAIUSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000616998539 417147684 /nfs/dbraw/zinc/14/76/84/417147684.db2.gz PZNQWCDGKSPSRW-LSDHHAIUSA-N 1 3 308.470 0.613 20 0 DCADHO COC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCC1 ZINC000568548474 417149916 /nfs/dbraw/zinc/14/99/16/417149916.db2.gz HHJDFDMVSKMCHS-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000637806260 417190043 /nfs/dbraw/zinc/19/00/43/417190043.db2.gz QQFSYIPVSQBLDW-CABCVRRESA-N 1 3 315.458 0.700 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637804441 417190197 /nfs/dbraw/zinc/19/01/97/417190197.db2.gz OOLMSJJRCKKVNO-NORZTCDRSA-N 1 3 307.394 0.578 20 0 DCADHO CO[C@H]1CN[C@](C)(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000637822999 417199246 /nfs/dbraw/zinc/19/92/46/417199246.db2.gz HDNCEHGVXCRFCI-CJNGLKHVSA-N 1 3 319.409 0.197 20 0 DCADHO CC[NH2+]CCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637827477 417200623 /nfs/dbraw/zinc/20/06/23/417200623.db2.gz RMSPSYMHTFNQEE-UHFFFAOYSA-N 1 3 319.409 0.643 20 0 DCADHO C[N@H+](C[C@@H](O)CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C1CC1 ZINC000411973886 417205979 /nfs/dbraw/zinc/20/59/79/417205979.db2.gz SIMSDWHJWMJEAU-ZACQAIPSSA-N 1 3 317.433 0.642 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C1CC1 ZINC000411973886 417205985 /nfs/dbraw/zinc/20/59/85/417205985.db2.gz SIMSDWHJWMJEAU-ZACQAIPSSA-N 1 3 317.433 0.642 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C[C@H]2N)cn1 ZINC000569102103 417213180 /nfs/dbraw/zinc/21/31/80/417213180.db2.gz KODBTZQLEUXYMY-OWCLPIDISA-N 1 3 319.453 0.938 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)CC[C@H]3CCCC[N@H+]3C)C[C@H]2N)cn1 ZINC000569102103 417213187 /nfs/dbraw/zinc/21/31/87/417213187.db2.gz KODBTZQLEUXYMY-OWCLPIDISA-N 1 3 319.453 0.938 20 0 DCADHO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CNCC[C@@H]2C)cc1 ZINC000643454584 417213143 /nfs/dbraw/zinc/21/31/43/417213143.db2.gz LAZDIQQUHMDEKY-WFASDCNBSA-N 1 3 311.451 0.823 20 0 DCADHO CN(CCN)C(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643486987 417222600 /nfs/dbraw/zinc/22/26/00/417222600.db2.gz PMLYPZLBERCGND-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433401430 417265948 /nfs/dbraw/zinc/26/59/48/417265948.db2.gz SCYLYCDMFHGXNJ-BNOWGMLFSA-N 1 3 318.425 0.415 20 0 DCADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000627226733 417288921 /nfs/dbraw/zinc/28/89/21/417288921.db2.gz QVLJQDWMQALCLB-KBPBESRZSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000627226733 417288928 /nfs/dbraw/zinc/28/89/28/417288928.db2.gz QVLJQDWMQALCLB-KBPBESRZSA-N 1 3 321.429 0.178 20 0 DCADHO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414673920 417294647 /nfs/dbraw/zinc/29/46/47/417294647.db2.gz RKZKXJIKERGJTG-KBPBESRZSA-N 1 3 311.426 0.459 20 0 DCADHO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414673920 417294655 /nfs/dbraw/zinc/29/46/55/417294655.db2.gz RKZKXJIKERGJTG-KBPBESRZSA-N 1 3 311.426 0.459 20 0 DCADHO CN(C(=O)CCCN1CCC([NH3+])CC1)[C@H]1CCN(C2CC2)C1 ZINC000433118154 417231356 /nfs/dbraw/zinc/23/13/56/417231356.db2.gz QVOFZMIANOHJLK-INIZCTEOSA-N 1 3 308.470 0.885 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569335670 417239535 /nfs/dbraw/zinc/23/95/35/417239535.db2.gz DNFLGGTXWJESRM-GOEBONIOSA-N 1 3 319.453 0.533 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000643571230 417248301 /nfs/dbraw/zinc/24/83/01/417248301.db2.gz WELAATBHXUITQS-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)C1 ZINC000643593072 417250681 /nfs/dbraw/zinc/25/06/81/417250681.db2.gz LOZADFCDLMSBTI-RRFJBIMHSA-N 1 3 324.469 0.561 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433387685 417262410 /nfs/dbraw/zinc/26/24/10/417262410.db2.gz RTOVDBPEULXGPW-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)CC[C@@H]1N1CCN(C)CC1 ZINC000627249789 417301087 /nfs/dbraw/zinc/30/10/87/417301087.db2.gz FNORJILLPZWPAH-ZNMIVQPWSA-N 1 3 309.458 0.016 20 0 DCADHO CN1CCC(n2cc(NC(=O)NC[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000632960488 417301046 /nfs/dbraw/zinc/30/10/46/417301046.db2.gz GYJAQLJIRUSITC-LBPRGKRZSA-N 1 3 306.414 0.881 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414833869 417307562 /nfs/dbraw/zinc/30/75/62/417307562.db2.gz BHSCGLQMPXUCSH-UHFFFAOYSA-N 1 3 318.421 0.729 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000638070793 417309465 /nfs/dbraw/zinc/30/94/65/417309465.db2.gz AISGLHZPSNRWQN-OLZOCXBDSA-N 1 3 313.467 0.580 20 0 DCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NC1CCN(C3CC3)CC1)C2 ZINC000621839582 417316183 /nfs/dbraw/zinc/31/61/83/417316183.db2.gz VBBNRNHUMFKZHN-SJCJKPOMSA-N 1 3 320.437 0.069 20 0 DCADHO C[C@@H](Cn1cccn1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969406 417317123 /nfs/dbraw/zinc/31/71/23/417317123.db2.gz GOUPBLCLFCEQEH-RYUDHWBXSA-N 1 3 305.348 0.697 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CN2CCNCC2)C1 ZINC000638083850 417319428 /nfs/dbraw/zinc/31/94/28/417319428.db2.gz OCFIGHZQNKIJOA-GJZGRUSLSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C(=O)NCCN(C)C ZINC000570224505 417327369 /nfs/dbraw/zinc/32/73/69/417327369.db2.gz ACWXXKVJVDSUHK-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000633040326 417332883 /nfs/dbraw/zinc/33/28/83/417332883.db2.gz HYEQHXPZQFVUIT-OCCSQVGLSA-N 1 3 318.421 0.943 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)n1 ZINC000415206817 417340764 /nfs/dbraw/zinc/34/07/64/417340764.db2.gz BUMVSSDVUPMPCJ-GFCCVEGCSA-N 1 3 308.430 0.954 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000415224722 417342672 /nfs/dbraw/zinc/34/26/72/417342672.db2.gz YYHQSFZCKPNZIB-CYBMUJFWSA-N 1 3 322.457 1.344 20 0 DCADHO CO[C@](C)(CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000643774414 417345651 /nfs/dbraw/zinc/34/56/51/417345651.db2.gz IIRRLVQHFGVIFL-MRXNPFEDSA-N 1 3 314.474 0.936 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000627311762 417346097 /nfs/dbraw/zinc/34/60/97/417346097.db2.gz HCPSSEFISHYKFP-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)nn1 ZINC000570804378 417395091 /nfs/dbraw/zinc/39/50/91/417395091.db2.gz UAWFVWYBARBBFM-CYBMUJFWSA-N 1 3 306.414 0.327 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)cn1 ZINC000633256577 417396847 /nfs/dbraw/zinc/39/68/47/417396847.db2.gz MWKZFDUNFXSURJ-OAHLLOKOSA-N 1 3 323.441 0.021 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638271175 417397544 /nfs/dbraw/zinc/39/75/44/417397544.db2.gz UKWZMQQRDZCNNO-GJZGRUSLSA-N 1 3 304.438 0.702 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638194521 417369229 /nfs/dbraw/zinc/36/92/29/417369229.db2.gz CHRKAGVYKKVGAI-HOTGVXAUSA-N 1 3 304.438 0.704 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622029178 417371975 /nfs/dbraw/zinc/37/19/75/417371975.db2.gz BBULKPUHZUDDDL-ZQIUZPCESA-N 1 3 322.453 0.267 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638221804 417378210 /nfs/dbraw/zinc/37/82/10/417378210.db2.gz ZSTGYUMWCSLUDW-NEPJUHHUSA-N 1 3 324.391 0.702 20 0 DCADHO COC[C@@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OC ZINC000634711628 417529941 /nfs/dbraw/zinc/52/99/41/417529941.db2.gz RWADPEJOCONOHD-IAGOWNOFSA-N 1 3 308.422 0.874 20 0 DCADHO COC[C@@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000634711628 417529947 /nfs/dbraw/zinc/52/99/47/417529947.db2.gz RWADPEJOCONOHD-IAGOWNOFSA-N 1 3 308.422 0.874 20 0 DCADHO CN(CCOCC[NH3+])C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000638675181 417531557 /nfs/dbraw/zinc/53/15/57/417531557.db2.gz CQPYZROBIDQBGO-MRXNPFEDSA-N 1 3 320.437 0.727 20 0 DCADHO CC(=O)NCC(=O)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000530232821 417555598 /nfs/dbraw/zinc/55/55/98/417555598.db2.gz SSRGSLBLCJVICL-OAHLLOKOSA-N 1 3 310.442 0.047 20 0 DCADHO CN(C)C(=O)CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634699518 417527652 /nfs/dbraw/zinc/52/76/52/417527652.db2.gz KQQWNAXDNHVUMJ-QGZVFWFLSA-N 1 3 305.422 0.691 20 0 DCADHO CN(C)C(=O)CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699518 417527657 /nfs/dbraw/zinc/52/76/57/417527657.db2.gz KQQWNAXDNHVUMJ-QGZVFWFLSA-N 1 3 305.422 0.691 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)n1 ZINC000454863916 417582973 /nfs/dbraw/zinc/58/29/73/417582973.db2.gz QQNQZPVDPQDINR-UHFFFAOYSA-N 1 3 322.457 1.441 20 0 DCADHO CO[C@H]1CN[C@](C)(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638985398 417597757 /nfs/dbraw/zinc/59/77/57/417597757.db2.gz GEQPMBYEGXGXIM-CJNGLKHVSA-N 1 3 319.409 0.197 20 0 DCADHO Cc1cc(CC(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)n[nH]1 ZINC000638986335 417599851 /nfs/dbraw/zinc/59/98/51/417599851.db2.gz KYLBKVAEFMLWPL-UHFFFAOYSA-N 1 3 300.366 0.704 20 0 DCADHO CC(C)C[C@H]([NH2+][C@H]1CCCNC(=O)C1)C(=O)NCCN(C)C ZINC000638819193 417564460 /nfs/dbraw/zinc/56/44/60/417564460.db2.gz WYYHMBXWNYGKAY-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638849088 417568791 /nfs/dbraw/zinc/56/87/91/417568791.db2.gz CAFSIKHCTNTPLP-QSPRXWTASA-N 1 3 317.433 0.987 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638849088 417568797 /nfs/dbraw/zinc/56/87/97/417568797.db2.gz CAFSIKHCTNTPLP-QSPRXWTASA-N 1 3 317.433 0.987 20 0 DCADHO [NH3+][C@H](CCNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000638878870 417575402 /nfs/dbraw/zinc/57/54/02/417575402.db2.gz HFKDCQSAGYTRPU-ZACQAIPSSA-N 1 3 317.433 0.926 20 0 DCADHO CO[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000639261393 417645446 /nfs/dbraw/zinc/64/54/46/417645446.db2.gz NNFIGFGSSOUUOG-MRXNPFEDSA-N 1 3 311.470 0.798 20 0 DCADHO COc1nnccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576904051 417646640 /nfs/dbraw/zinc/64/66/40/417646640.db2.gz LQCLSKLTSXXJOC-UHFFFAOYSA-N 1 3 310.402 0.442 20 0 DCADHO CCN1CCN(CCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635562026 417704564 /nfs/dbraw/zinc/70/45/64/417704564.db2.gz UXLHKJFNCYWKOV-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635562026 417704569 /nfs/dbraw/zinc/70/45/69/417704569.db2.gz UXLHKJFNCYWKOV-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000635570766 417706402 /nfs/dbraw/zinc/70/64/02/417706402.db2.gz LSIHYCVOANZQQA-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000635570766 417706404 /nfs/dbraw/zinc/70/64/04/417706404.db2.gz LSIHYCVOANZQQA-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000635606682 417718588 /nfs/dbraw/zinc/71/85/88/417718588.db2.gz KAHUETYBTOXEHI-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000635606682 417718594 /nfs/dbraw/zinc/71/85/94/417718594.db2.gz KAHUETYBTOXEHI-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO CCCN(C(=O)NCCOCC[NH+](C)C)[C@H]1CCN(C)C1 ZINC000645464871 417744179 /nfs/dbraw/zinc/74/41/79/417744179.db2.gz AAQQSEHJDONIMM-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000662618980 417822680 /nfs/dbraw/zinc/82/26/80/417822680.db2.gz HAOZTOBJWMIEDQ-OLZOCXBDSA-N 1 3 320.441 0.633 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662619390 417822903 /nfs/dbraw/zinc/82/29/03/417822903.db2.gz LBEUTWZFPOAKPA-GFCCVEGCSA-N 1 3 320.441 0.805 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000662622108 417825277 /nfs/dbraw/zinc/82/52/77/417825277.db2.gz ORHXBFSSKHJISE-GFCCVEGCSA-N 1 3 308.430 0.620 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)N(C)C1 ZINC000635910772 417792083 /nfs/dbraw/zinc/79/20/83/417792083.db2.gz DMVSUEVPNDLKPF-ZQDZILKHSA-N 1 3 311.426 0.027 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)N(C)C1 ZINC000635910772 417792089 /nfs/dbraw/zinc/79/20/89/417792089.db2.gz DMVSUEVPNDLKPF-ZQDZILKHSA-N 1 3 311.426 0.027 20 0 DCADHO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc2c1CNC2 ZINC000662526474 417795208 /nfs/dbraw/zinc/79/52/08/417795208.db2.gz ZGQUVECUVGEAIB-UHFFFAOYSA-N 1 3 303.406 0.866 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000662539842 417798553 /nfs/dbraw/zinc/79/85/53/417798553.db2.gz LROZYIQZXJVUBH-UTUOFQBUSA-N 1 3 303.410 0.842 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662693850 417855254 /nfs/dbraw/zinc/85/52/54/417855254.db2.gz MHMOXXNPISUWAT-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000662703309 417862352 /nfs/dbraw/zinc/86/23/52/417862352.db2.gz JNQHOUINJOSQOB-STQMWFEESA-N 1 3 306.414 0.244 20 0 DCADHO CN(CCN1CCCCC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000652200811 417863773 /nfs/dbraw/zinc/86/37/73/417863773.db2.gz KTYZLYLFJZFQEF-UHFFFAOYSA-N 1 3 311.474 0.409 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662708619 417863957 /nfs/dbraw/zinc/86/39/57/417863957.db2.gz NWPTZIGUPFTLFJ-PMPSAXMXSA-N 1 3 307.438 0.887 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313537 417881344 /nfs/dbraw/zinc/88/13/44/417881344.db2.gz ZMXZYTHVKJVCAY-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO COCCCN(C)CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662742207 417883482 /nfs/dbraw/zinc/88/34/82/417883482.db2.gz BIDWNJVWRMCQGY-LBPRGKRZSA-N 1 3 311.348 0.613 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662772872 417897873 /nfs/dbraw/zinc/89/78/73/417897873.db2.gz HKBGOIUSKSUMNW-YNEHKIRRSA-N 1 3 306.414 0.415 20 0 DCADHO O=C(c1cccc2c1CCNC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662777877 417899615 /nfs/dbraw/zinc/89/96/15/417899615.db2.gz FGRITYPPUISAOP-OAHLLOKOSA-N 1 3 314.433 0.452 20 0 DCADHO CC(C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000646375749 417841300 /nfs/dbraw/zinc/84/13/00/417841300.db2.gz HNXXCEWYYGDHQA-JHJVBQTASA-N 1 3 302.440 0.658 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)C1 ZINC000646002900 417844037 /nfs/dbraw/zinc/84/40/37/417844037.db2.gz JBMVBNJWWNHAIG-UXLLHSPISA-N 1 3 306.454 0.224 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C3([NH3+])CC4(CCC4)C3)C2)nn1 ZINC000662813864 417915656 /nfs/dbraw/zinc/91/56/56/417915656.db2.gz MXYBXWRKVWGPLQ-CYBMUJFWSA-N 1 3 318.425 0.562 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055002 417979047 /nfs/dbraw/zinc/97/90/47/417979047.db2.gz HJXNILJBXJAFAL-JRATXPSKSA-N 1 3 307.438 0.777 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000652695087 417946779 /nfs/dbraw/zinc/94/67/79/417946779.db2.gz MXEZZQJJKHWYFV-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652703197 417948986 /nfs/dbraw/zinc/94/89/86/417948986.db2.gz MWQVNWAVHHYZCK-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO CN1C[C@H]2[C@@H](CCN2C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000646923548 417953706 /nfs/dbraw/zinc/95/37/06/417953706.db2.gz XJBJYAQIAUUKCZ-GJZGRUSLSA-N 1 3 318.421 0.798 20 0 DCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652731258 417958995 /nfs/dbraw/zinc/95/89/95/417958995.db2.gz FXKDRCFPDFPLHQ-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000652731922 417960191 /nfs/dbraw/zinc/96/01/91/417960191.db2.gz YWXCCWISBIYTBK-UHFFFAOYSA-N 1 3 310.442 0.128 20 0 DCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058610 417980015 /nfs/dbraw/zinc/98/00/15/417980015.db2.gz UVSVITJXDQOISJ-FPMFFAJLSA-N 1 3 301.406 0.596 20 0 DCADHO CC[C@@H](N)c1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641048049 417964806 /nfs/dbraw/zinc/96/48/06/417964806.db2.gz USVFXNXXLNXEAM-CYBMUJFWSA-N 1 3 308.430 0.677 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000641090318 417970091 /nfs/dbraw/zinc/97/00/91/417970091.db2.gz GPLNXOKYPQHMSF-MRXNPFEDSA-N 1 3 324.469 0.882 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)[C@@H](N)CC[NH+](C)C)c1 ZINC000653108480 418028196 /nfs/dbraw/zinc/02/81/96/418028196.db2.gz ZCMZWEBESOCHFM-HNNXBMFYSA-N 1 3 308.426 0.845 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653116869 418029125 /nfs/dbraw/zinc/02/91/25/418029125.db2.gz XEAMTXFPYQAGBX-OAHLLOKOSA-N 1 3 322.453 0.143 20 0 DCADHO O=C(N1CCCN(C2CCCC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114829 418029132 /nfs/dbraw/zinc/02/91/32/418029132.db2.gz XYXVNPPHKPRQEC-YOEHRIQHSA-N 1 3 307.438 0.699 20 0 DCADHO C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000653119631 418031263 /nfs/dbraw/zinc/03/12/63/418031263.db2.gz QJTBDICJHXOSKV-GOEBONIOSA-N 1 3 306.454 0.902 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653125400 418033439 /nfs/dbraw/zinc/03/34/39/418033439.db2.gz YFQMGBIHWKEQHY-JKSUJKDBSA-N 1 3 310.486 0.766 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653125377 418034312 /nfs/dbraw/zinc/03/43/12/418034312.db2.gz XEQHTSIFIYFFAY-CYBMUJFWSA-N 1 3 320.441 0.051 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])CC1 ZINC000653240631 418046056 /nfs/dbraw/zinc/04/60/56/418046056.db2.gz QEPPPEDCTSMBDD-JKSUJKDBSA-N 1 3 310.486 0.990 20 0 DCADHO NC[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000647078594 417982120 /nfs/dbraw/zinc/98/21/20/417982120.db2.gz HHHFLRVNLOHTSA-JKSUJKDBSA-N 1 3 317.433 0.943 20 0 DCADHO C[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659510073 418108369 /nfs/dbraw/zinc/10/83/69/418108369.db2.gz JYLQXCFEJOODGM-LZWOXQAQSA-N 1 3 324.469 0.927 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659512791 418109476 /nfs/dbraw/zinc/10/94/76/418109476.db2.gz WJMXSDSEETUMAX-DZGCQCFKSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000659538106 418114127 /nfs/dbraw/zinc/11/41/27/418114127.db2.gz VQWOOFLCKNWRRT-HIFRSBDPSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659538198 418114156 /nfs/dbraw/zinc/11/41/56/418114156.db2.gz OAIBKQROPFONTF-WFASDCNBSA-N 1 3 306.410 0.400 20 0 DCADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCOCC1 ZINC000647977581 418082221 /nfs/dbraw/zinc/08/22/21/418082221.db2.gz DUNVBJGCSLMLNB-CABCVRRESA-N 1 3 309.454 0.993 20 0 DCADHO CC1(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CNC1 ZINC000659348825 418085043 /nfs/dbraw/zinc/08/50/43/418085043.db2.gz QHWTYAKRAMCQEH-HUUCEWRRSA-N 1 3 303.406 0.627 20 0 DCADHO CN(CCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000664093403 418085212 /nfs/dbraw/zinc/08/52/12/418085212.db2.gz JYYDVAGWUSRURP-HNNXBMFYSA-N 1 3 310.442 0.321 20 0 DCADHO CN(CCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000664093403 418085215 /nfs/dbraw/zinc/08/52/15/418085215.db2.gz JYYDVAGWUSRURP-HNNXBMFYSA-N 1 3 310.442 0.321 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1O ZINC000647995977 418085229 /nfs/dbraw/zinc/08/52/29/418085229.db2.gz FZJUQOGFDOKEKR-HOTGVXAUSA-N 1 3 324.469 0.710 20 0 DCADHO COCC[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659444001 418098164 /nfs/dbraw/zinc/09/81/64/418098164.db2.gz OZSJHAKZNSQNDY-CHWSQXEVSA-N 1 3 302.394 0.178 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000659475844 418103856 /nfs/dbraw/zinc/10/38/56/418103856.db2.gz QKIKIZBFMYJLME-LBPRGKRZSA-N 1 3 309.414 0.429 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648147146 418107484 /nfs/dbraw/zinc/10/74/84/418107484.db2.gz WQRBQRCRPDZTKT-UPJWGTAASA-N 1 3 317.380 0.586 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCOC2(CNC2)C1 ZINC000659603201 418124995 /nfs/dbraw/zinc/12/49/95/418124995.db2.gz WKNLINGCQSMZIE-AWEZNQCLSA-N 1 3 322.453 0.777 20 0 DCADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCOC2(CNC2)C1 ZINC000659603201 418124996 /nfs/dbraw/zinc/12/49/96/418124996.db2.gz WKNLINGCQSMZIE-AWEZNQCLSA-N 1 3 322.453 0.777 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659608118 418125624 /nfs/dbraw/zinc/12/56/24/418125624.db2.gz KWEVPGJFSJRSHG-GZBFAFLISA-N 1 3 310.442 0.632 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659629148 418131544 /nfs/dbraw/zinc/13/15/44/418131544.db2.gz NRMRZIYXOVJWDJ-SNVBAGLBSA-N 1 3 322.413 0.313 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659629148 418131548 /nfs/dbraw/zinc/13/15/48/418131548.db2.gz NRMRZIYXOVJWDJ-SNVBAGLBSA-N 1 3 322.413 0.313 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654429083 418142626 /nfs/dbraw/zinc/14/26/26/418142626.db2.gz IROMUYFEPJPEKH-OWCLPIDISA-N 1 3 324.469 0.567 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654429083 418142630 /nfs/dbraw/zinc/14/26/30/418142630.db2.gz IROMUYFEPJPEKH-OWCLPIDISA-N 1 3 324.469 0.567 20 0 DCADHO C[N@H+](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000654431038 418143528 /nfs/dbraw/zinc/14/35/28/418143528.db2.gz VYPVGRGOIZNNDJ-LSDHHAIUSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@@H+](CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000654431038 418143530 /nfs/dbraw/zinc/14/35/30/418143530.db2.gz VYPVGRGOIZNNDJ-LSDHHAIUSA-N 1 3 310.442 0.321 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654451440 418146994 /nfs/dbraw/zinc/14/69/94/418146994.db2.gz VTGJDSYARPIYTK-HRCADAONSA-N 1 3 324.469 0.711 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654451440 418146996 /nfs/dbraw/zinc/14/69/96/418146996.db2.gz VTGJDSYARPIYTK-HRCADAONSA-N 1 3 324.469 0.711 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654461110 418148118 /nfs/dbraw/zinc/14/81/18/418148118.db2.gz ZOYBWSYIJBPDQR-JKSUJKDBSA-N 1 3 324.469 0.569 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000664731241 418150284 /nfs/dbraw/zinc/15/02/84/418150284.db2.gz DNCOKLIEHPVSNN-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccnn1 ZINC000664758464 418151711 /nfs/dbraw/zinc/15/17/11/418151711.db2.gz KEZUYVSZFIHUQI-ZDUSSCGKSA-N 1 3 308.430 0.548 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccnn1 ZINC000664758464 418151713 /nfs/dbraw/zinc/15/17/13/418151713.db2.gz KEZUYVSZFIHUQI-ZDUSSCGKSA-N 1 3 308.430 0.548 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000659704316 418153641 /nfs/dbraw/zinc/15/36/41/418153641.db2.gz JZPMFGFIVDHTIA-SNPRPXQTSA-N 1 3 322.453 0.173 20 0 DCADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n(C)n1 ZINC000664845859 418156956 /nfs/dbraw/zinc/15/69/56/418156956.db2.gz CJYYKAXQZASIHV-AWEZNQCLSA-N 1 3 324.473 0.800 20 0 DCADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n(C)n1 ZINC000664845859 418156958 /nfs/dbraw/zinc/15/69/58/418156958.db2.gz CJYYKAXQZASIHV-AWEZNQCLSA-N 1 3 324.473 0.800 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000659738715 418170658 /nfs/dbraw/zinc/17/06/58/418170658.db2.gz ITAFONVYMWZYAQ-ZQDZILKHSA-N 1 3 322.453 0.173 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000659738205 418171035 /nfs/dbraw/zinc/17/10/35/418171035.db2.gz BKNKHDJBWWPNIO-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC000659739452 418171673 /nfs/dbraw/zinc/17/16/73/418171673.db2.gz USRLQNIHNXRFNC-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000654795610 418189465 /nfs/dbraw/zinc/18/94/65/418189465.db2.gz QPQMUYGOOGECPG-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000654795610 418189470 /nfs/dbraw/zinc/18/94/70/418189470.db2.gz QPQMUYGOOGECPG-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CC(C)[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CC[NH2+]1 ZINC000649416590 418254185 /nfs/dbraw/zinc/25/41/85/418254185.db2.gz FOADBYJWRUPUHG-MRXNPFEDSA-N 1 3 308.470 0.659 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)C(F)(F)F ZINC000655928382 418304157 /nfs/dbraw/zinc/30/41/57/418304157.db2.gz RQDDBWSQPBZYPO-UWVGGRQHSA-N 1 3 312.336 0.022 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000655969392 418309002 /nfs/dbraw/zinc/30/90/02/418309002.db2.gz REBCJBITNIUIJE-UONOGXRCSA-N 1 3 322.384 0.245 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000655975218 418310629 /nfs/dbraw/zinc/31/06/29/418310629.db2.gz UIFBBEYMHLLDNY-ZNMIVQPWSA-N 1 3 309.458 0.288 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028525 418321008 /nfs/dbraw/zinc/32/10/08/418321008.db2.gz MABLXDGBKRNNGV-KGLIPLIRSA-N 1 3 308.426 0.069 20 0 DCADHO CN(C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000656028249 418321241 /nfs/dbraw/zinc/32/12/41/418321241.db2.gz JKCIHPSPABKTEH-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1CN ZINC000656042884 418322097 /nfs/dbraw/zinc/32/20/97/418322097.db2.gz WMWDKBWFVIKOBR-FQUUOJAGSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000660485833 418263922 /nfs/dbraw/zinc/26/39/22/418263922.db2.gz XLXXYZUNJYGEQA-IAGOWNOFSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000660485833 418263924 /nfs/dbraw/zinc/26/39/24/418263924.db2.gz XLXXYZUNJYGEQA-IAGOWNOFSA-N 1 3 313.486 0.732 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000655489373 418267919 /nfs/dbraw/zinc/26/79/19/418267919.db2.gz PGAIMYLJUKTPPR-RKWLLSJHSA-N 1 3 309.454 0.975 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656303650 418343342 /nfs/dbraw/zinc/34/33/42/418343342.db2.gz LNENLYLUPDXTSW-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N(C)C1CC1 ZINC000656309707 418343673 /nfs/dbraw/zinc/34/36/73/418343673.db2.gz PDQJFHVMXIQCDD-BZPMIXESSA-N 1 3 310.442 0.042 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656310566 418344223 /nfs/dbraw/zinc/34/42/23/418344223.db2.gz ZZOWXKUCWLEHNN-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662411628 418408243 /nfs/dbraw/zinc/40/82/43/418408243.db2.gz DYTJSCAUFCGFAU-INIZCTEOSA-N 1 3 302.422 0.585 20 0 DCADHO CC(C)OC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662457472 418411257 /nfs/dbraw/zinc/41/12/57/418411257.db2.gz JVXFHRXNMVGTNP-HIFRSBDPSA-N 1 3 312.458 0.023 20 0 DCADHO CC(C)OC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662457472 418411258 /nfs/dbraw/zinc/41/12/58/418411258.db2.gz JVXFHRXNMVGTNP-HIFRSBDPSA-N 1 3 312.458 0.023 20 0 DCADHO CC(C)OC[C@H](N)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662457472 418411259 /nfs/dbraw/zinc/41/12/59/418411259.db2.gz JVXFHRXNMVGTNP-HIFRSBDPSA-N 1 3 312.458 0.023 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000354652856 261251444 /nfs/dbraw/zinc/25/14/44/261251444.db2.gz DZSVMRPQNQUXDE-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000354681919 261257970 /nfs/dbraw/zinc/25/79/70/261257970.db2.gz URAWWIRYOCHXRO-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000354782075 261271724 /nfs/dbraw/zinc/27/17/24/261271724.db2.gz FZMUXVKMXKZMON-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000354782075 261271726 /nfs/dbraw/zinc/27/17/26/261271726.db2.gz FZMUXVKMXKZMON-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN(C)CCOC)C1 ZINC000362348310 262024766 /nfs/dbraw/zinc/02/47/66/262024766.db2.gz GZOAXZBOBNPJFP-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN(C)CCOC)C1 ZINC000362348310 262024767 /nfs/dbraw/zinc/02/47/67/262024767.db2.gz GZOAXZBOBNPJFP-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000362903926 262085419 /nfs/dbraw/zinc/08/54/19/262085419.db2.gz AVVVVIRJOXUJTN-OAGGEKHMSA-N 1 3 324.469 0.975 20 0 DCADHO CC1CC[NH+](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363389544 262113390 /nfs/dbraw/zinc/11/33/90/262113390.db2.gz LJGYPHNFIYXRSN-HOTGVXAUSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370819144 262153150 /nfs/dbraw/zinc/15/31/50/262153150.db2.gz JCKWUXPSJKCDRA-MRXNPFEDSA-N 1 3 310.486 0.954 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370819144 262153153 /nfs/dbraw/zinc/15/31/53/262153153.db2.gz JCKWUXPSJKCDRA-MRXNPFEDSA-N 1 3 310.486 0.954 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000417050394 262244540 /nfs/dbraw/zinc/24/45/40/262244540.db2.gz WXIOJLPUGJLRLX-CABCVRRESA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CNCCO1 ZINC000417050394 262244541 /nfs/dbraw/zinc/24/45/41/262244541.db2.gz WXIOJLPUGJLRLX-CABCVRRESA-N 1 3 312.458 0.929 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417436092 262251512 /nfs/dbraw/zinc/25/15/12/262251512.db2.gz CULCPEGCWXOXBR-CYBMUJFWSA-N 1 3 300.447 0.642 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417436093 262251559 /nfs/dbraw/zinc/25/15/59/262251559.db2.gz CULCPEGCWXOXBR-ZDUSSCGKSA-N 1 3 300.447 0.642 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)NC[C@H]1CNCCO1 ZINC000417468560 262252551 /nfs/dbraw/zinc/25/25/51/262252551.db2.gz OXQNSESEGIFUJP-CQSZACIVSA-N 1 3 300.447 0.786 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)N(C)CC[NH3+])cc1 ZINC000417530941 262254365 /nfs/dbraw/zinc/25/43/65/262254365.db2.gz SWEJJCOFGOELFC-UHFFFAOYSA-N 1 3 308.426 0.770 20 0 DCADHO CCCCN(C)CCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417607329 262256290 /nfs/dbraw/zinc/25/62/90/262256290.db2.gz GGJWJFFSBGRZDR-OAHLLOKOSA-N 1 3 300.447 0.786 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417744003 262260069 /nfs/dbraw/zinc/26/00/69/262260069.db2.gz CIMCGVSPXAAYNS-RRFJBIMHSA-N 1 3 312.458 0.642 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000417821964 262262559 /nfs/dbraw/zinc/26/25/59/262262559.db2.gz ZRZOXVCPEJCYJY-ZDUSSCGKSA-N 1 3 300.447 0.912 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCSC1 ZINC000417827022 262263288 /nfs/dbraw/zinc/26/32/88/262263288.db2.gz NOPLYLTVZJOAKY-GUTXKFCHSA-N 1 3 312.483 0.675 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000417847564 262263479 /nfs/dbraw/zinc/26/34/79/262263479.db2.gz ZHDVWLRLOSRGIF-HUUCEWRRSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@H]1C[C@H](NC(=O)NCCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000417856553 262264184 /nfs/dbraw/zinc/26/41/84/262264184.db2.gz MRZBPXDOKIXFMD-KBPBESRZSA-N 1 3 309.458 0.206 20 0 DCADHO CC[NH2+]CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417982122 262266826 /nfs/dbraw/zinc/26/68/26/262266826.db2.gz ATPNHVMRNLTQEG-INIZCTEOSA-N 1 3 320.437 0.662 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NCCC[NH2+]C2CC2)CCCO1 ZINC000418110574 262269863 /nfs/dbraw/zinc/26/98/63/262269863.db2.gz FJJQWGWAECHYJL-AWEZNQCLSA-N 1 3 312.458 0.929 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418375118 262275855 /nfs/dbraw/zinc/27/58/55/262275855.db2.gz WYVGBHPRDNSFOY-KGLIPLIRSA-N 1 3 300.447 0.594 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418413638 262277130 /nfs/dbraw/zinc/27/71/30/262277130.db2.gz QXKVGAVJECMWEF-KKUMJFAQSA-N 1 3 312.458 0.650 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000418545988 262282279 /nfs/dbraw/zinc/28/22/79/262282279.db2.gz WSPQWCDCCBLYIH-HNNXBMFYSA-N 1 3 310.442 0.298 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418655264 262285436 /nfs/dbraw/zinc/28/54/36/262285436.db2.gz QLZJDQUUANJOAY-GDBMZVCRSA-N 1 3 320.437 0.927 20 0 DCADHO CN(CCCN(C)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccco1 ZINC000418769112 262288367 /nfs/dbraw/zinc/28/83/67/262288367.db2.gz POWNIPPBJNPHED-HNNXBMFYSA-N 1 3 324.425 0.731 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)CCCC1 ZINC000418829362 262292234 /nfs/dbraw/zinc/29/22/34/262292234.db2.gz IMYCZPRVBYMWQP-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000418846813 262292630 /nfs/dbraw/zinc/29/26/30/262292630.db2.gz ZAZCTGLVUQBYTP-CQSZACIVSA-N 1 3 312.458 0.609 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000419006027 262303793 /nfs/dbraw/zinc/30/37/93/262303793.db2.gz SIYIZDDGCYVFOL-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419103533 262309324 /nfs/dbraw/zinc/30/93/24/262309324.db2.gz GEGOCMCOXJXCMN-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419129520 262311485 /nfs/dbraw/zinc/31/14/85/262311485.db2.gz DFQKMRAABRMVTF-NWDGAFQWSA-N 1 3 300.447 0.275 20 0 DCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)[C@H](C)CN)CC(C)C ZINC000419128630 262311548 /nfs/dbraw/zinc/31/15/48/262311548.db2.gz WSPLBRAPQICFOJ-KGLIPLIRSA-N 1 3 314.474 0.665 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCC(C)CC1 ZINC000419161521 262315287 /nfs/dbraw/zinc/31/52/87/262315287.db2.gz RVNNIJWVIARNRU-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419165419 262315704 /nfs/dbraw/zinc/31/57/04/262315704.db2.gz GIYZXDVEAYXOPU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419172037 262316302 /nfs/dbraw/zinc/31/63/02/262316302.db2.gz QIQZFSVJEWKPRO-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419169893 262316389 /nfs/dbraw/zinc/31/63/89/262316389.db2.gz MVHYUNMGIHLQJH-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232012 262320899 /nfs/dbraw/zinc/32/08/99/262320899.db2.gz TYLVLGDKCFEIED-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232298 262321491 /nfs/dbraw/zinc/32/14/91/262321491.db2.gz UIKUGEHIHFKSNA-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232830 262322168 /nfs/dbraw/zinc/32/21/68/262322168.db2.gz VIZWYUJEZBCAFJ-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419285389 262324649 /nfs/dbraw/zinc/32/46/49/262324649.db2.gz MINLOYMAZUOAGE-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCN1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000419417946 262331856 /nfs/dbraw/zinc/33/18/56/262331856.db2.gz XVUHTWWFZTZBHB-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000419419604 262332556 /nfs/dbraw/zinc/33/25/56/262332556.db2.gz ZHCSPSGIUOUCEG-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419430512 262333083 /nfs/dbraw/zinc/33/30/83/262333083.db2.gz VXVCZKKJVNCYFU-ILXRZTDVSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C(=O)C(=O)NCCN(C)[C@@H](C)CC)[C@H]1CC[NH2+]C1 ZINC000419508832 262336124 /nfs/dbraw/zinc/33/61/24/262336124.db2.gz DHMBBACYLRMDSO-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N(C)C1CC1 ZINC000419590837 262339121 /nfs/dbraw/zinc/33/91/21/262339121.db2.gz QOSJVEAZDUOXLR-GFCCVEGCSA-N 1 3 310.442 0.363 20 0 DCADHO C[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419694968 262346233 /nfs/dbraw/zinc/34/62/33/262346233.db2.gz KBWIVABSPPKXIB-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419696315 262346851 /nfs/dbraw/zinc/34/68/51/262346851.db2.gz MDHPPGLHNBNGDG-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCC1 ZINC000419696462 262347150 /nfs/dbraw/zinc/34/71/50/262347150.db2.gz OKKQYRYDDDAXGI-GFCCVEGCSA-N 1 3 308.426 0.117 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419840384 262348696 /nfs/dbraw/zinc/34/86/96/262348696.db2.gz ZJJKAGACRHAUIY-MCIONIFRSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419840384 262348697 /nfs/dbraw/zinc/34/86/97/262348697.db2.gz ZJJKAGACRHAUIY-MCIONIFRSA-N 1 3 310.442 0.219 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419962910 262354146 /nfs/dbraw/zinc/35/41/46/262354146.db2.gz HIOSCVSZJGAFTQ-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000419965365 262354622 /nfs/dbraw/zinc/35/46/22/262354622.db2.gz XDIKTTBSVXPKMH-AWEZNQCLSA-N 1 3 312.458 0.419 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCCN(C2CCCC2)CC1)C1CC1 ZINC000420059523 262358179 /nfs/dbraw/zinc/35/81/79/262358179.db2.gz JTWRPGZJNJJKPE-HNNXBMFYSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420057658 262358299 /nfs/dbraw/zinc/35/82/99/262358299.db2.gz CUBUQMMNFDFJHJ-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)C1CC1 ZINC000420071890 262358931 /nfs/dbraw/zinc/35/89/31/262358931.db2.gz YHNCDOGMWLOUFD-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[C@@H](C[NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000433155641 262652631 /nfs/dbraw/zinc/65/26/31/262652631.db2.gz YQMRQVXOPMYOQS-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](C(=O)NC[C@H](C)N(C)C)[C@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000358641056 271060311 /nfs/dbraw/zinc/06/03/11/271060311.db2.gz ZJGCKSQOYDAISP-XDQVBPFNSA-N 1 3 314.474 0.391 20 0 DCADHO C[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000358641056 271060313 /nfs/dbraw/zinc/06/03/13/271060313.db2.gz ZJGCKSQOYDAISP-XDQVBPFNSA-N 1 3 314.474 0.391 20 0 DCADHO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCCN)CC2)CC1 ZINC000418873466 271259517 /nfs/dbraw/zinc/25/95/17/271259517.db2.gz YBHOSAIEPBPQDF-UHFFFAOYSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419027327 271265947 /nfs/dbraw/zinc/26/59/47/271265947.db2.gz OPEVXVNECUIJME-TZMCWYRMSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000419027949 271266344 /nfs/dbraw/zinc/26/63/44/271266344.db2.gz PINQFUGUDDGXPX-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)[C@H]1C[NH3+] ZINC000419249067 271279678 /nfs/dbraw/zinc/27/96/78/271279678.db2.gz YVIKZBZCZDKUKQ-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419402291 271288202 /nfs/dbraw/zinc/28/82/02/271288202.db2.gz CDIZKGMPFGULMP-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419401864 271289216 /nfs/dbraw/zinc/28/92/16/271289216.db2.gz BGNKAGWKYFEYJA-KBPBESRZSA-N 1 3 312.458 0.324 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1)C1CC1 ZINC000419520680 271296194 /nfs/dbraw/zinc/29/61/94/271296194.db2.gz IOQJMCWAZBGKAO-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419529480 271297544 /nfs/dbraw/zinc/29/75/44/271297544.db2.gz YAAYCPDQKVHYSJ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000419530418 271297555 /nfs/dbraw/zinc/29/75/55/271297555.db2.gz ZFMLHMNIBGMKTB-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419579498 271311919 /nfs/dbraw/zinc/31/19/19/271311919.db2.gz GHGJQYZXANTHLH-OBJOEFQTSA-N 1 3 310.442 0.314 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419857322 271333148 /nfs/dbraw/zinc/33/31/48/271333148.db2.gz KAFOABBARKJGOQ-HUUCEWRRSA-N 1 3 322.453 0.189 20 0 DCADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1)C1CC1 ZINC000419857652 271333586 /nfs/dbraw/zinc/33/35/86/271333586.db2.gz GTJAUOFRSYWZCB-HNNXBMFYSA-N 1 3 322.453 0.317 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000420115779 271356688 /nfs/dbraw/zinc/35/66/88/271356688.db2.gz FPRUUJKDIHNFHP-CQSZACIVSA-N 1 3 312.458 0.609 20 0 DCADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000422773047 271383711 /nfs/dbraw/zinc/38/37/11/271383711.db2.gz XXVYBJPNQZFGIF-CABCVRRESA-N 1 3 324.469 0.598 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422849923 271389002 /nfs/dbraw/zinc/38/90/02/271389002.db2.gz VGNLFOMRKUIQOW-GJZGRUSLSA-N 1 3 319.453 0.836 20 0 DCADHO CC(C)[C@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000491844075 272106345 /nfs/dbraw/zinc/10/63/45/272106345.db2.gz HNDAPSSVFKQVNW-WLKUWOQMSA-N 1 3 324.469 0.479 20 0 DCADHO CC(C)[C@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000491844075 272106348 /nfs/dbraw/zinc/10/63/48/272106348.db2.gz HNDAPSSVFKQVNW-WLKUWOQMSA-N 1 3 324.469 0.479 20 0 DCADHO C[C@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C(=O)/C=C\CN(C)C ZINC000491873433 272108335 /nfs/dbraw/zinc/10/83/35/272108335.db2.gz TWTIJNZJCBYTBQ-PTGLWIRMSA-N 1 3 310.442 0.185 20 0 DCADHO C[C@H](CNC(=O)/C=C/CN(C)C)N(C)C(=O)/C=C\C[NH+](C)C ZINC000491873433 272108337 /nfs/dbraw/zinc/10/83/37/272108337.db2.gz TWTIJNZJCBYTBQ-PTGLWIRMSA-N 1 3 310.442 0.185 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)/C=C/C[NH+](C)C)ccn1 ZINC000492247957 272118703 /nfs/dbraw/zinc/11/87/03/272118703.db2.gz BPPDTHOWHAQIIV-AATRIKPKSA-N 1 3 306.410 0.756 20 0 DCADHO CC(C)C[C@H](NC(=O)/C=C\C[NH+](C)C)C(=O)NCCN(C)C ZINC000492286113 272120617 /nfs/dbraw/zinc/12/06/17/272120617.db2.gz DZECPPZYYUCAKE-DANTVBBOSA-N 1 3 312.458 0.313 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000339667125 276149764 /nfs/dbraw/zinc/14/97/64/276149764.db2.gz GQHYVNXHAIAHSV-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000343245990 276384126 /nfs/dbraw/zinc/38/41/26/276384126.db2.gz CPRWTWNROROXMM-RCCFBDPRSA-N 1 3 324.513 0.761 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419775879 277040977 /nfs/dbraw/zinc/04/09/77/277040977.db2.gz LKVLWMQQJQQDKP-CHWSQXEVSA-N 1 3 310.442 0.077 20 0 DCADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000346715305 277077850 /nfs/dbraw/zinc/07/78/50/277077850.db2.gz TZDDGXSQAQFTRQ-RDJZCZTQSA-N 1 3 309.454 0.920 20 0 DCADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000346715305 277077852 /nfs/dbraw/zinc/07/78/52/277077852.db2.gz TZDDGXSQAQFTRQ-RDJZCZTQSA-N 1 3 309.454 0.920 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCCCCC1 ZINC000237468769 278190854 /nfs/dbraw/zinc/19/08/54/278190854.db2.gz NETFRIGTBXMZDJ-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C1=CCN(C)CC1 ZINC000419623057 278233721 /nfs/dbraw/zinc/23/37/21/278233721.db2.gz HPBLROLFGKRLIB-WFASDCNBSA-N 1 3 322.453 0.387 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000346527039 279307023 /nfs/dbraw/zinc/30/70/23/279307023.db2.gz JVDLGPFDBRMUSC-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000346527039 279307026 /nfs/dbraw/zinc/30/70/26/279307026.db2.gz JVDLGPFDBRMUSC-BPLDGKMQSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCN([C@@H]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)CC1 ZINC000336866199 279368708 /nfs/dbraw/zinc/36/87/08/279368708.db2.gz ODVTWFBTJCCGFH-SJORKVTESA-N 1 3 310.486 0.153 20 0 DCADHO CCN1CCN([C@@H]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)CC1 ZINC000336866199 279368711 /nfs/dbraw/zinc/36/87/11/279368711.db2.gz ODVTWFBTJCCGFH-SJORKVTESA-N 1 3 310.486 0.153 20 0 DCADHO CCC(CC)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000549895787 288207999 /nfs/dbraw/zinc/20/79/99/288207999.db2.gz GJQRDPWSKRYOSX-UHFFFAOYSA-N 1 3 300.447 0.243 20 0 DCADHO CCCN1CC[C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553325129 288294690 /nfs/dbraw/zinc/29/46/90/288294690.db2.gz AWPRKJXGBVWJIR-VEAWUBTESA-N 1 3 308.426 0.829 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000556726016 288387933 /nfs/dbraw/zinc/38/79/33/288387933.db2.gz XQOCBMWCFHEFNU-DLBZAZTESA-N 1 3 317.433 0.821 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000556726016 288387935 /nfs/dbraw/zinc/38/79/35/288387935.db2.gz XQOCBMWCFHEFNU-DLBZAZTESA-N 1 3 317.433 0.821 20 0 DCADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563116495 288633305 /nfs/dbraw/zinc/63/33/05/288633305.db2.gz JFCAGYHTEVDSQG-LZWOXQAQSA-N 1 3 320.441 0.808 20 0 DCADHO CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)C1CCN(C)CC1 ZINC000262071331 288789871 /nfs/dbraw/zinc/78/98/71/288789871.db2.gz BRAZLLMJZOBQPB-UHFFFAOYSA-N 1 3 305.426 0.514 20 0 DCADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329290372 289153715 /nfs/dbraw/zinc/15/37/15/289153715.db2.gz NDGVTQRAKFRUFG-CQSZACIVSA-N 1 3 303.472 0.179 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423130333 289253578 /nfs/dbraw/zinc/25/35/78/289253578.db2.gz RUVORXXEVJUVHJ-MCIONIFRSA-N 1 3 318.487 0.364 20 0 DCADHO O=C(NCC1CC[NH+](CCO)CC1)[C@H](C1CC1)N1CCCC1 ZINC000128001009 295637525 /nfs/dbraw/zinc/63/75/25/295637525.db2.gz RVKJHHOSSDIDFO-INIZCTEOSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)N1CCC(C)CC1 ZINC000333811898 298728462 /nfs/dbraw/zinc/72/84/62/298728462.db2.gz PRYOOMLHPPWOEO-CABCVRRESA-N 1 3 312.458 0.785 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCN1C1CCOCC1 ZINC000584290828 332219925 /nfs/dbraw/zinc/21/99/25/332219925.db2.gz JEXJEOQLXJKZGS-CABCVRRESA-N 1 3 311.426 0.125 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc[nH]n3)CC2)CC1 ZINC000582803560 337176994 /nfs/dbraw/zinc/17/69/94/337176994.db2.gz ZTSHXWCFCXSWGF-UHFFFAOYSA-N 1 3 306.414 0.940 20 0 DCADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000577529169 341915821 /nfs/dbraw/zinc/91/58/21/341915821.db2.gz OJIFMWQGPPDJMS-DGCLKSJQSA-N 1 3 301.456 0.803 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000364214362 519765997 /nfs/dbraw/zinc/76/59/97/519765997.db2.gz MPIVBFWXOMGAEO-NVXWUHKLSA-N 1 3 309.454 0.992 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000237232428 522129892 /nfs/dbraw/zinc/12/98/92/522129892.db2.gz SBHQCVSRFWBYCK-CQSZACIVSA-N 1 3 318.421 0.755 20 0 DCADHO CC[C@@]1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000364255677 523691379 /nfs/dbraw/zinc/69/13/79/523691379.db2.gz QRGFEIVPRDBDJD-WBVHZDCISA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)CCCC[NH+](C)C)CC1=O ZINC000081789223 545695025 /nfs/dbraw/zinc/69/50/25/545695025.db2.gz OMRMNCNZWTVBCA-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237028019 545953135 /nfs/dbraw/zinc/95/31/35/545953135.db2.gz QYYNDCYNCYICTN-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO NC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCC1 ZINC000261962178 545978001 /nfs/dbraw/zinc/97/80/01/545978001.db2.gz KZQRAVAECHHNHF-SNVBAGLBSA-N 1 3 308.348 0.210 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)N1C ZINC000352886968 546171070 /nfs/dbraw/zinc/17/10/70/546171070.db2.gz XYXUCKOFLWXZKC-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)N1C ZINC000352886968 546171076 /nfs/dbraw/zinc/17/10/76/546171076.db2.gz XYXUCKOFLWXZKC-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)N(C)Cc1ccccc1 ZINC000390721821 546220378 /nfs/dbraw/zinc/22/03/78/546220378.db2.gz FZJSFAAVBXBPDS-ZDUSSCGKSA-N 1 3 316.409 0.487 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457997901 546264945 /nfs/dbraw/zinc/26/49/45/546264945.db2.gz CQGSZGZNSRANAR-HUUCEWRRSA-N 1 3 314.474 0.863 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000458026721 546265005 /nfs/dbraw/zinc/26/50/05/546265005.db2.gz YUILMLCJFPVJIL-GJZGRUSLSA-N 1 3 314.474 0.863 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529298951 546287360 /nfs/dbraw/zinc/28/73/60/546287360.db2.gz JIHMXLASIGYXGY-CVEARBPZSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)[C@@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665758959 546393535 /nfs/dbraw/zinc/39/35/35/546393535.db2.gz VHGTYLJGXOVFMJ-KBPBESRZSA-N 1 3 302.463 0.575 20 0 DCADHO CC(C)[C@@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665758959 546393538 /nfs/dbraw/zinc/39/35/38/546393538.db2.gz VHGTYLJGXOVFMJ-KBPBESRZSA-N 1 3 302.463 0.575 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000666922662 546528918 /nfs/dbraw/zinc/52/89/18/546528918.db2.gz VLWBMIWCWLHQSA-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000666922662 546528922 /nfs/dbraw/zinc/52/89/22/546528922.db2.gz VLWBMIWCWLHQSA-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000667156057 546563385 /nfs/dbraw/zinc/56/33/85/546563385.db2.gz NKQUVYXESBZPBE-ZDUSSCGKSA-N 1 3 308.430 0.954 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000668584103 546793663 /nfs/dbraw/zinc/79/36/63/546793663.db2.gz AYNJVHUKEPXSSN-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000668584103 546793666 /nfs/dbraw/zinc/79/36/66/546793666.db2.gz AYNJVHUKEPXSSN-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000668794851 546848015 /nfs/dbraw/zinc/84/80/15/546848015.db2.gz SFMFUGRHQHSAAG-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000668794851 546848018 /nfs/dbraw/zinc/84/80/18/546848018.db2.gz SFMFUGRHQHSAAG-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1 ZINC000669484180 546976187 /nfs/dbraw/zinc/97/61/87/546976187.db2.gz GYSMDXHVOLZQNL-UONOGXRCSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1 ZINC000669484180 546976189 /nfs/dbraw/zinc/97/61/89/546976189.db2.gz GYSMDXHVOLZQNL-UONOGXRCSA-N 1 3 309.458 0.158 20 0 DCADHO COC[C@]1(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCC[NH2+]1 ZINC000669524677 546984722 /nfs/dbraw/zinc/98/47/22/546984722.db2.gz VBRFOWWHYFQPDC-XJKCOSOUSA-N 1 3 310.442 0.679 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000670783081 547127901 /nfs/dbraw/zinc/12/79/01/547127901.db2.gz PTCVBJHKHQDLOR-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NC2CCN(C3CC3)CC2)C[C@@H]1[NH+](C)C ZINC000670782895 547128091 /nfs/dbraw/zinc/12/80/91/547128091.db2.gz QNDMPGCMCSOGNQ-WFASDCNBSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000681208584 548217052 /nfs/dbraw/zinc/21/70/52/548217052.db2.gz DNCNVXSRQRCDNA-YESZJQIVSA-N 1 3 316.449 0.557 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C)C1=O ZINC000681514962 548255896 /nfs/dbraw/zinc/25/58/96/548255896.db2.gz HPCICKBUUIOQLF-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C)C1=O ZINC000681514962 548255901 /nfs/dbraw/zinc/25/59/01/548255901.db2.gz HPCICKBUUIOQLF-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nccn2C1 ZINC000682493184 548389257 /nfs/dbraw/zinc/38/92/57/548389257.db2.gz NVUONXMZOWSTDW-CQSZACIVSA-N 1 3 307.442 0.397 20 0 DCADHO C[C@@H](NC(=O)NCCOCCN(C)C)C1CC[NH+](C)CC1 ZINC000682612606 548409793 /nfs/dbraw/zinc/40/97/93/548409793.db2.gz BHAJJQVYCUXEBN-CYBMUJFWSA-N 1 3 300.447 0.594 20 0 DCADHO CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978563763 660562699 /nfs/dbraw/zinc/56/26/99/660562699.db2.gz UOKAGHLXQSGWLT-KSOAXJBMSA-N 1 3 305.422 0.164 20 0 DCADHO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978563763 660562700 /nfs/dbraw/zinc/56/27/00/660562700.db2.gz UOKAGHLXQSGWLT-KSOAXJBMSA-N 1 3 305.422 0.164 20 0 DCADHO C[C@@H](O)CN1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964805 660988472 /nfs/dbraw/zinc/98/84/72/660988472.db2.gz PBVWHYAWIIQSEM-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)N1CCCCC1 ZINC000981091139 661077127 /nfs/dbraw/zinc/07/71/27/661077127.db2.gz KVUMDVIUFRFXSQ-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCN(C[C@@H](C)O)CC2)C1 ZINC000981323908 661134005 /nfs/dbraw/zinc/13/40/05/661134005.db2.gz ABUFEAWMMOHNNC-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCN(C[C@@H](C)O)CC2)C1 ZINC000981323908 661134007 /nfs/dbraw/zinc/13/40/07/661134007.db2.gz ABUFEAWMMOHNNC-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC2(C1)CCCN(CCO)C2 ZINC000981767089 661213872 /nfs/dbraw/zinc/21/38/72/661213872.db2.gz HUVCXJODXXTJPY-CVEARBPZSA-N 1 3 321.465 0.778 20 0 DCADHO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC2(C1)CCCN(CCO)C2 ZINC000981767089 661213873 /nfs/dbraw/zinc/21/38/73/661213873.db2.gz HUVCXJODXXTJPY-CVEARBPZSA-N 1 3 321.465 0.778 20 0 DCADHO CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901919 661244481 /nfs/dbraw/zinc/24/44/81/661244481.db2.gz XTVIIOQIAHWYHW-CSLYMUCUSA-N 1 3 319.449 0.794 20 0 DCADHO CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901919 661244483 /nfs/dbraw/zinc/24/44/83/661244483.db2.gz XTVIIOQIAHWYHW-CSLYMUCUSA-N 1 3 319.449 0.794 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000998177619 665411638 /nfs/dbraw/zinc/41/16/38/665411638.db2.gz IKAPIPSUFJYRGQ-RYUDHWBXSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000998177619 665411640 /nfs/dbraw/zinc/41/16/40/665411640.db2.gz IKAPIPSUFJYRGQ-RYUDHWBXSA-N 1 3 319.409 0.010 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891538200 657465550 /nfs/dbraw/zinc/46/55/50/657465550.db2.gz SWVFIRVVTDDUNK-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000891547937 657472842 /nfs/dbraw/zinc/47/28/42/657472842.db2.gz RYMCJOFLFGBGNK-HZPDHXFCSA-N 1 3 324.469 0.711 20 0 DCADHO COc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC001023084091 657485359 /nfs/dbraw/zinc/48/53/59/657485359.db2.gz ILOLWVHGXYRWAA-UTUOFQBUSA-N 1 3 324.450 0.840 20 0 DCADHO COc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001023084091 657485366 /nfs/dbraw/zinc/48/53/66/657485366.db2.gz ILOLWVHGXYRWAA-UTUOFQBUSA-N 1 3 324.450 0.840 20 0 DCADHO COCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041677288 657494661 /nfs/dbraw/zinc/49/46/61/657494661.db2.gz ADGUQILUBDSHKO-RDJZCZTQSA-N 1 3 309.454 0.899 20 0 DCADHO COCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041677288 657494662 /nfs/dbraw/zinc/49/46/62/657494662.db2.gz ADGUQILUBDSHKO-RDJZCZTQSA-N 1 3 309.454 0.899 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000969200317 657556649 /nfs/dbraw/zinc/55/66/49/657556649.db2.gz YLAWXBWVVYBGPU-CHWSQXEVSA-N 1 3 308.426 0.069 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000970479270 657557160 /nfs/dbraw/zinc/55/71/60/657557160.db2.gz SHBMHXYJBNGCPG-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970479270 657557165 /nfs/dbraw/zinc/55/71/65/657557165.db2.gz SHBMHXYJBNGCPG-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000998733284 665514510 /nfs/dbraw/zinc/51/45/10/665514510.db2.gz TYMUOLTYMZGSAW-HOTGVXAUSA-N 1 3 317.437 0.960 20 0 DCADHO COC(=O)C1CCN(CCCNc2cc[nH+]cc2CO)CC1 ZINC000891836915 657811840 /nfs/dbraw/zinc/81/18/40/657811840.db2.gz FMYREFWFDWAMCZ-UHFFFAOYSA-N 1 3 307.394 0.683 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969564530 657984619 /nfs/dbraw/zinc/98/46/19/657984619.db2.gz URSRXDGAVPRUNG-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C1(C(=O)N2CC(NC(=O)C3CC[NH+](C)CC3)C2)CCC1 ZINC000994923820 665534527 /nfs/dbraw/zinc/53/45/27/665534527.db2.gz MUCVDKLHCQYQEF-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926331999 658096141 /nfs/dbraw/zinc/09/61/41/658096141.db2.gz DJZTYRSIDNGABT-RRFJBIMHSA-N 1 3 324.469 0.372 20 0 DCADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926334978 658114549 /nfs/dbraw/zinc/11/45/49/658114549.db2.gz PFZFZMXGYKMOBB-WMLDXEAASA-N 1 3 320.437 0.038 20 0 DCADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000998992908 665561571 /nfs/dbraw/zinc/56/15/71/665561571.db2.gz BDEIYHPZRLLYAE-YMAMQOFZSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@@H]2CNCCO2)CCN1c1cc[nH+]cc1 ZINC000892184025 658279049 /nfs/dbraw/zinc/27/90/49/658279049.db2.gz NSJBUZMAFADZST-ZFWWWQNUSA-N 1 3 319.409 0.290 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC000969969229 658304090 /nfs/dbraw/zinc/30/40/90/658304090.db2.gz ZQWYMZBGRBCCEZ-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC000969985660 658324928 /nfs/dbraw/zinc/32/49/28/658324928.db2.gz LJBOXVVTSNKGAH-RDBSUJKOSA-N 1 3 320.441 0.296 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC000969991134 658329621 /nfs/dbraw/zinc/32/96/21/658329621.db2.gz DVXVEEVYYMUBLY-CABCVRRESA-N 1 3 322.457 0.426 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000926379359 658335196 /nfs/dbraw/zinc/33/51/96/658335196.db2.gz HDJPLKQQJBUNPQ-KFWWJZLASA-N 1 3 324.469 0.371 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)cn1 ZINC001022715962 658367719 /nfs/dbraw/zinc/36/77/19/658367719.db2.gz OUAKLLRUQHNGMS-WQVCFCJDSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)C1 ZINC001022716042 658368890 /nfs/dbraw/zinc/36/88/90/658368890.db2.gz PYYHVRLKNYEUTD-XQLPTFJDSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999144421 665585402 /nfs/dbraw/zinc/58/54/02/665585402.db2.gz WFSUXMFVCCXADU-UZZMVUAXSA-N 1 3 307.438 0.839 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518427 665591126 /nfs/dbraw/zinc/59/11/26/665591126.db2.gz UISUMBCYNGWBAQ-APIJFGDWSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518427 665591127 /nfs/dbraw/zinc/59/11/27/665591127.db2.gz UISUMBCYNGWBAQ-APIJFGDWSA-N 1 3 322.453 0.125 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)C1 ZINC001020981808 658651057 /nfs/dbraw/zinc/65/10/57/658651057.db2.gz NQZUCXXUDWSHDD-WSMBLCCSSA-N 1 3 318.421 0.924 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001024561678 658717883 /nfs/dbraw/zinc/71/78/83/658717883.db2.gz VHAVRBNWOIIXSL-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001024561678 658717885 /nfs/dbraw/zinc/71/78/85/658717885.db2.gz VHAVRBNWOIIXSL-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001021048211 658726935 /nfs/dbraw/zinc/72/69/35/658726935.db2.gz VGOXKZHLDLNZQP-MRVWCRGKSA-N 1 3 319.409 0.174 20 0 DCADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001021048211 658726936 /nfs/dbraw/zinc/72/69/36/658726936.db2.gz VGOXKZHLDLNZQP-MRVWCRGKSA-N 1 3 319.409 0.174 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022974737 658882647 /nfs/dbraw/zinc/88/26/47/658882647.db2.gz APDAKCODRPLQOJ-UPJWGTAASA-N 1 3 323.466 0.925 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022974737 658882658 /nfs/dbraw/zinc/88/26/58/658882658.db2.gz APDAKCODRPLQOJ-UPJWGTAASA-N 1 3 323.466 0.925 20 0 DCADHO COCCN(C)CCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891492657 658889277 /nfs/dbraw/zinc/88/92/77/658889277.db2.gz HPKVTHQMHXENBB-UHFFFAOYSA-N 1 3 316.446 0.023 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981556 658892484 /nfs/dbraw/zinc/89/24/84/658892484.db2.gz UQDNDYPEPIRJJZ-TXEJJXNPSA-N 1 3 321.450 0.679 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CC[NH2+]CCC12CCC2 ZINC000891514184 658899425 /nfs/dbraw/zinc/89/94/25/658899425.db2.gz NRIQRLFJASJNLS-GJZGRUSLSA-N 1 3 322.453 0.777 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001025067150 658989710 /nfs/dbraw/zinc/98/97/10/658989710.db2.gz LKZSREZJSKMKLW-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027170074 659050764 /nfs/dbraw/zinc/05/07/64/659050764.db2.gz BPPNJQQDKVCXSY-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027170074 659050772 /nfs/dbraw/zinc/05/07/72/659050772.db2.gz BPPNJQQDKVCXSY-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC000893221575 659109249 /nfs/dbraw/zinc/10/92/49/659109249.db2.gz NDSZUYDKCRGLMA-FPCVCCKLSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC000893221575 659109252 /nfs/dbraw/zinc/10/92/52/659109252.db2.gz NDSZUYDKCRGLMA-FPCVCCKLSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC000999481125 665649982 /nfs/dbraw/zinc/64/99/82/665649982.db2.gz BAMMOXAIAPYSBR-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)=CCN1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856988 665660150 /nfs/dbraw/zinc/66/01/50/665660150.db2.gz OFGZKDDLYKYRMA-HQVVEAJESA-N 1 3 319.449 0.864 20 0 DCADHO CC(C)=CCN1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856988 665660151 /nfs/dbraw/zinc/66/01/51/665660151.db2.gz OFGZKDDLYKYRMA-HQVVEAJESA-N 1 3 319.449 0.864 20 0 DCADHO C[C@@H]([NH2+]C1CCC(NC(=O)C(C)(C)N2CCCC2)CC1)C(N)=O ZINC001026540461 659386188 /nfs/dbraw/zinc/38/61/88/659386188.db2.gz MDYGJQIFSYJISP-IYXRBSQSSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)CN1 ZINC000892754404 659431416 /nfs/dbraw/zinc/43/14/16/659431416.db2.gz AICTVJJWLFQYIO-RDBSUJKOSA-N 1 3 310.442 0.537 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1C ZINC000892757152 659433594 /nfs/dbraw/zinc/43/35/94/659433594.db2.gz UAUBYXAGAVFHSV-MELADBBJSA-N 1 3 310.442 0.537 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892793176 659456898 /nfs/dbraw/zinc/45/68/98/659456898.db2.gz SEJOHSYMWNQWHH-XHSDSOJGSA-N 1 3 300.406 0.847 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999764949 665681080 /nfs/dbraw/zinc/68/10/80/665681080.db2.gz MGPKIZWDCMYEIX-KRIMKBQASA-N 1 3 307.438 0.839 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000892943620 659540991 /nfs/dbraw/zinc/54/09/91/659540991.db2.gz IZFYLTMMTRRGCB-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000892943620 659540993 /nfs/dbraw/zinc/54/09/93/659540993.db2.gz IZFYLTMMTRRGCB-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000892943798 659542050 /nfs/dbraw/zinc/54/20/50/659542050.db2.gz JTAOKYSGAKUHHL-RBSFLKMASA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000892943798 659542054 /nfs/dbraw/zinc/54/20/54/659542054.db2.gz JTAOKYSGAKUHHL-RBSFLKMASA-N 1 3 310.442 0.443 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025778868 659554175 /nfs/dbraw/zinc/55/41/75/659554175.db2.gz OKCIECFCTGROCE-UUAJXVIYSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025778868 659554176 /nfs/dbraw/zinc/55/41/76/659554176.db2.gz OKCIECFCTGROCE-UUAJXVIYSA-N 1 3 321.465 0.942 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025808942 659568023 /nfs/dbraw/zinc/56/80/23/659568023.db2.gz BUXRXQBYHDXHPQ-ZOFXXKQRSA-N 1 3 321.465 0.944 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025808942 659568024 /nfs/dbraw/zinc/56/80/24/659568024.db2.gz BUXRXQBYHDXHPQ-ZOFXXKQRSA-N 1 3 321.465 0.944 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001019772531 659610673 /nfs/dbraw/zinc/61/06/73/659610673.db2.gz IQDXIKMLIIBXKK-GJZGRUSLSA-N 1 3 303.410 0.427 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001019772531 659610677 /nfs/dbraw/zinc/61/06/77/659610677.db2.gz IQDXIKMLIIBXKK-GJZGRUSLSA-N 1 3 303.410 0.427 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001026889966 659625437 /nfs/dbraw/zinc/62/54/37/659625437.db2.gz GCEVNANOCKQHPI-ZDUSSCGKSA-N 1 3 320.441 0.238 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1)C1CC1 ZINC001026888204 659627850 /nfs/dbraw/zinc/62/78/50/659627850.db2.gz AFYARWCMBSANKQ-RISCZKNCSA-N 1 3 323.466 0.816 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](CNCc2nccn2C)C1)[NH+](C)C ZINC001026900768 659629912 /nfs/dbraw/zinc/62/99/12/659629912.db2.gz CGKPYUHLUMKSOI-ZBFHGGJFSA-N 1 3 321.469 0.944 20 0 DCADHO CC1(C)CN(CCCO)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000974771236 659663679 /nfs/dbraw/zinc/66/36/79/659663679.db2.gz FEDCJXSUKJMGCQ-AWEZNQCLSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001026088791 659775522 /nfs/dbraw/zinc/77/55/22/659775522.db2.gz VKDMICZKBNBIRY-RFBLXINOSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001026088791 659775524 /nfs/dbraw/zinc/77/55/24/659775524.db2.gz VKDMICZKBNBIRY-RFBLXINOSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H](NC(=O)N1CCN(C)CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000894104477 661472147 /nfs/dbraw/zinc/47/21/47/661472147.db2.gz CMGODIQDFWRRGJ-HNNXBMFYSA-N 1 3 323.485 0.526 20 0 DCADHO C[C@H](NC(=O)N1CCN(C)CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000894104477 661472148 /nfs/dbraw/zinc/47/21/48/661472148.db2.gz CMGODIQDFWRRGJ-HNNXBMFYSA-N 1 3 323.485 0.526 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001000186650 665767513 /nfs/dbraw/zinc/76/75/13/665767513.db2.gz VMGRLJDILUHYRK-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC001000195611 665771058 /nfs/dbraw/zinc/77/10/58/665771058.db2.gz YKDHIVPAUPTACV-CVEARBPZSA-N 1 3 319.453 0.948 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698628 661765367 /nfs/dbraw/zinc/76/53/67/661765367.db2.gz OHBWJKAAQCLEAN-UERKLNTKSA-N 1 3 319.449 0.698 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698628 661765370 /nfs/dbraw/zinc/76/53/70/661765370.db2.gz OHBWJKAAQCLEAN-UERKLNTKSA-N 1 3 319.449 0.698 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H](NCCF)C2)cn1 ZINC001000432351 665839604 /nfs/dbraw/zinc/83/96/04/665839604.db2.gz MWCUCLUMOQZUOU-AWEZNQCLSA-N 1 3 311.405 0.608 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896749550 662310343 /nfs/dbraw/zinc/31/03/43/662310343.db2.gz RWDXUDUPGMORRI-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896749550 662310344 /nfs/dbraw/zinc/31/03/44/662310344.db2.gz RWDXUDUPGMORRI-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000984807660 662317594 /nfs/dbraw/zinc/31/75/94/662317594.db2.gz IYVZTRJXDNUWTC-IHRRRGAJSA-N 1 3 322.453 0.091 20 0 DCADHO Cc1nocc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000985120147 662369517 /nfs/dbraw/zinc/36/95/17/662369517.db2.gz OUOYMZZKAHXYST-YDHLFZDLSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000985120147 662369518 /nfs/dbraw/zinc/36/95/18/662369518.db2.gz OUOYMZZKAHXYST-YDHLFZDLSA-N 1 3 306.410 0.919 20 0 DCADHO Cn1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001029673171 662447732 /nfs/dbraw/zinc/44/77/32/662447732.db2.gz WSSRCGQABLGVHA-ZBFHGGJFSA-N 1 3 319.453 0.795 20 0 DCADHO Cn1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001029673171 662447733 /nfs/dbraw/zinc/44/77/33/662447733.db2.gz WSSRCGQABLGVHA-ZBFHGGJFSA-N 1 3 319.453 0.795 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000985499462 662468502 /nfs/dbraw/zinc/46/85/02/662468502.db2.gz RYQAYOGYRZGINN-GXTWGEPZSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000985499462 662468503 /nfs/dbraw/zinc/46/85/03/662468503.db2.gz RYQAYOGYRZGINN-GXTWGEPZSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985655641 662497164 /nfs/dbraw/zinc/49/71/64/662497164.db2.gz VETCCGLWFQUDDL-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985655641 662497165 /nfs/dbraw/zinc/49/71/65/662497165.db2.gz VETCCGLWFQUDDL-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985685794 662500362 /nfs/dbraw/zinc/50/03/62/662500362.db2.gz IXAXKECWHISZTL-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001000592896 665881809 /nfs/dbraw/zinc/88/18/09/665881809.db2.gz GNEXQQCIRATZHK-HIFRSBDPSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC000987515222 662683456 /nfs/dbraw/zinc/68/34/56/662683456.db2.gz ATJHCIYZIVTZTD-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO COC1CCN(CCNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897438793 662756964 /nfs/dbraw/zinc/75/69/64/662756964.db2.gz IGANRABBXWOXGN-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO COC1CCN(CCNC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897438793 662756966 /nfs/dbraw/zinc/75/69/66/662756966.db2.gz IGANRABBXWOXGN-CQSZACIVSA-N 1 3 312.458 0.738 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000938041440 662856645 /nfs/dbraw/zinc/85/66/45/662856645.db2.gz XAOJBYUWMGSBKZ-LXTVHRRPSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000938041440 662856646 /nfs/dbraw/zinc/85/66/46/662856646.db2.gz XAOJBYUWMGSBKZ-LXTVHRRPSA-N 1 3 324.469 0.384 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001000691499 665911272 /nfs/dbraw/zinc/91/12/72/665911272.db2.gz ZJXPQGQRMXWLLU-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001000691499 665911273 /nfs/dbraw/zinc/91/12/73/665911273.db2.gz ZJXPQGQRMXWLLU-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000729566772 662903530 /nfs/dbraw/zinc/90/35/30/662903530.db2.gz DJWBVYZUGDWTJW-OWCLPIDISA-N 1 3 324.469 0.879 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000729566772 662903532 /nfs/dbraw/zinc/90/35/32/662903532.db2.gz DJWBVYZUGDWTJW-OWCLPIDISA-N 1 3 324.469 0.879 20 0 DCADHO CN1CCN(Cc2ccnn2-c2ccncc2)CC[N@H+](C)CC1 ZINC000897858630 662927857 /nfs/dbraw/zinc/92/78/57/662927857.db2.gz IVXUGXLINRLWRU-UHFFFAOYSA-N 1 3 314.437 0.947 20 0 DCADHO CN1CCN(Cc2ccnn2-c2ccncc2)CC[N@@H+](C)CC1 ZINC000897858630 662927858 /nfs/dbraw/zinc/92/78/58/662927858.db2.gz IVXUGXLINRLWRU-UHFFFAOYSA-N 1 3 314.437 0.947 20 0 DCADHO CCN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@H](C)C1 ZINC000897830789 662927900 /nfs/dbraw/zinc/92/79/00/662927900.db2.gz OEZJHDPGHTXYBN-KGLIPLIRSA-N 1 3 303.472 0.732 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989826118 662982551 /nfs/dbraw/zinc/98/25/51/662982551.db2.gz MSICGANWGWNYKP-BBRMVZONSA-N 1 3 305.422 0.933 20 0 DCADHO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000990278411 663028424 /nfs/dbraw/zinc/02/84/24/663028424.db2.gz RRTPARIPYHYIOE-MRXNPFEDSA-N 1 3 317.437 0.960 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707626 663039211 /nfs/dbraw/zinc/03/92/11/663039211.db2.gz VGQXKPMKRMTAGQ-CQSZACIVSA-N 1 3 305.488 0.965 20 0 DCADHO CO[C@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCSC1 ZINC000898585130 663096801 /nfs/dbraw/zinc/09/68/01/663096801.db2.gz NOZLENFLPSVYIX-DZGCQCFKSA-N 1 3 317.499 0.897 20 0 DCADHO CO[C@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCSC1 ZINC000898585130 663096802 /nfs/dbraw/zinc/09/68/02/663096802.db2.gz NOZLENFLPSVYIX-DZGCQCFKSA-N 1 3 317.499 0.897 20 0 DCADHO CN(CCO)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000899736885 663184482 /nfs/dbraw/zinc/18/44/82/663184482.db2.gz AZNFLSFGQBDWPL-UHFFFAOYSA-N 1 3 305.422 0.936 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnn1CC[NH+](C)C ZINC000901026762 663304225 /nfs/dbraw/zinc/30/42/25/663304225.db2.gz PWYGWXBIRVBKIM-OCCSQVGLSA-N 1 3 305.426 0.657 20 0 DCADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCn1ccc(=O)[nH]c1=O ZINC000902516612 663417524 /nfs/dbraw/zinc/41/75/24/663417524.db2.gz DYDCOAHSQOJRCS-DZGCQCFKSA-N 1 3 316.405 0.887 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)NCC(C)C)C2 ZINC000903491937 663458398 /nfs/dbraw/zinc/45/83/98/663458398.db2.gz GUPCAIOKNBVATP-IATRGZMQSA-N 1 3 311.426 0.359 20 0 DCADHO O=C1CCCN1[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903729385 663476024 /nfs/dbraw/zinc/47/60/24/663476024.db2.gz LZMYLNHWEWLZEM-INMHGKMJSA-N 1 3 307.438 0.842 20 0 DCADHO O=C1CCCN1C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728945 663476062 /nfs/dbraw/zinc/47/60/62/663476062.db2.gz HYUSTGBSZYDXRP-RDJZCZTQSA-N 1 3 307.438 0.842 20 0 DCADHO [NH3+]CC1(c2ccccc2)CCN(CC(=O)N2CCOCC2)CC1 ZINC000903793657 663483249 /nfs/dbraw/zinc/48/32/49/663483249.db2.gz HTNLHSOJWGQXOU-UHFFFAOYSA-N 1 3 317.433 0.838 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCCCNC(=O)CC1 ZINC000903830133 663487706 /nfs/dbraw/zinc/48/77/06/663487706.db2.gz UGIGJDGZFGSNTG-IRXDYDNUSA-N 1 3 319.449 0.910 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCCCNC(=O)CC1 ZINC000903830133 663487709 /nfs/dbraw/zinc/48/77/09/663487709.db2.gz UGIGJDGZFGSNTG-IRXDYDNUSA-N 1 3 319.449 0.910 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903898501 663494106 /nfs/dbraw/zinc/49/41/06/663494106.db2.gz OAUPTMAGTJMAAF-NEPJUHHUSA-N 1 3 304.385 0.207 20 0 DCADHO C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904316349 663507823 /nfs/dbraw/zinc/50/78/23/663507823.db2.gz MCJVMPXJPNOQHP-SOUVJXGZSA-N 1 3 308.470 0.789 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC000941305316 665970991 /nfs/dbraw/zinc/97/09/91/665970991.db2.gz JRSVFNRMJXIAGS-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)C1(O)CCCC1 ZINC000905127646 663534303 /nfs/dbraw/zinc/53/43/03/663534303.db2.gz MGCPPJRWYDATNV-ZBFHGGJFSA-N 1 3 312.454 0.743 20 0 DCADHO C[NH+](C)CCOc1cc(CNC[C@H](O)C2(O)CCC2)ccn1 ZINC000905192567 663537696 /nfs/dbraw/zinc/53/76/96/663537696.db2.gz VUVGFPPVLJLPHE-AWEZNQCLSA-N 1 3 309.410 0.388 20 0 DCADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)CC1(O)CCCCC1 ZINC000905342843 663551477 /nfs/dbraw/zinc/55/14/77/663551477.db2.gz XLXMACJBMQNKBU-MRXNPFEDSA-N 1 3 314.470 0.869 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1)C1CC1 ZINC000911052338 663972628 /nfs/dbraw/zinc/97/26/28/663972628.db2.gz CZMNVNIILAGIRS-UHFFFAOYSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911055066 663973038 /nfs/dbraw/zinc/97/30/38/663973038.db2.gz MSDTXFIOOYQBHZ-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911030421 663973816 /nfs/dbraw/zinc/97/38/16/663973816.db2.gz VYQZYHCOOJIVME-GBJTYRQASA-N 1 3 324.469 0.276 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911209156 664005502 /nfs/dbraw/zinc/00/55/02/664005502.db2.gz NATKHDJIMSHYIX-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911333373 664029800 /nfs/dbraw/zinc/02/98/00/664029800.db2.gz RXBGBAPWEGKRQG-MGPQQGTHSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911333080 664029935 /nfs/dbraw/zinc/02/99/35/664029935.db2.gz QKZUPOLRKQRPGR-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911394600 664047021 /nfs/dbraw/zinc/04/70/21/664047021.db2.gz CRMQRBXMACPQPH-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)[C@H]1C[NH3+] ZINC000911529251 664068881 /nfs/dbraw/zinc/06/88/81/664068881.db2.gz BHRODJBRBNMAMQ-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCC[C@@H](C)C1 ZINC000911546225 664075876 /nfs/dbraw/zinc/07/58/76/664075876.db2.gz OVLXQUSIRAEFBV-QKGCVVFFSA-N 1 3 322.453 0.232 20 0 DCADHO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000911555219 664078160 /nfs/dbraw/zinc/07/81/60/664078160.db2.gz GFQNIHQGISOBGI-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1)C1CCC1 ZINC000992719130 664760859 /nfs/dbraw/zinc/76/08/59/664760859.db2.gz ZGZPPYRMBJQRPV-CWRNSKLLSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000915153080 664867526 /nfs/dbraw/zinc/86/75/26/664867526.db2.gz LYUOGZMFWJUFQT-HIFRSBDPSA-N 1 3 312.458 0.879 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993819528 665006573 /nfs/dbraw/zinc/00/65/73/665006573.db2.gz QMEKUBFHHMKCRZ-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993819528 665006575 /nfs/dbraw/zinc/00/65/75/665006575.db2.gz QMEKUBFHHMKCRZ-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000993821577 665007475 /nfs/dbraw/zinc/00/74/75/665007475.db2.gz WUVZUVUMUBXVAX-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000993821577 665007477 /nfs/dbraw/zinc/00/74/77/665007477.db2.gz WUVZUVUMUBXVAX-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000993870766 665015622 /nfs/dbraw/zinc/01/56/22/665015622.db2.gz PHTFSHOMQVLCOA-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000993870766 665015624 /nfs/dbraw/zinc/01/56/24/665015624.db2.gz PHTFSHOMQVLCOA-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001016248598 666012510 /nfs/dbraw/zinc/01/25/10/666012510.db2.gz BSLXAEAQWJBYFY-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001016248598 666012512 /nfs/dbraw/zinc/01/25/12/666012512.db2.gz BSLXAEAQWJBYFY-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NCC2CN(CCCF)C2)cn1 ZINC001032043355 666210876 /nfs/dbraw/zinc/21/08/76/666210876.db2.gz GAEBPNUWZWNSKF-UHFFFAOYSA-N 1 3 311.405 0.466 20 0 DCADHO COC(=O)COc1ccccc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000921998387 666222759 /nfs/dbraw/zinc/22/27/59/666222759.db2.gz ISCLIAHZQZQJEP-MRXNPFEDSA-N 1 3 308.378 0.395 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)NCC1CN(CCCO)C1 ZINC001032204604 666429594 /nfs/dbraw/zinc/42/95/94/666429594.db2.gz AEHQKZXBUVKNLL-UHFFFAOYSA-N 1 3 305.422 0.792 20 0 DCADHO C[C@@H]1[C@H](NCc2cnc(N3CCN(C)CC3)nc2)CC[N@@H+]1C ZINC000922558545 666480955 /nfs/dbraw/zinc/48/09/55/666480955.db2.gz VMAYXYAONXJOBQ-UKRRQHHQSA-N 1 3 304.442 0.411 20 0 DCADHO C[C@@H]1[C@H](NCc2cnc(N3CCN(C)CC3)nc2)CC[N@H+]1C ZINC000922558545 666480957 /nfs/dbraw/zinc/48/09/57/666480957.db2.gz VMAYXYAONXJOBQ-UKRRQHHQSA-N 1 3 304.442 0.411 20 0 DCADHO COCCN1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033279676 666659584 /nfs/dbraw/zinc/65/95/84/666659584.db2.gz WCNYREHCGUYEQK-GWUWNPHMSA-N 1 3 323.437 0.029 20 0 DCADHO COCCN1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033279676 666659585 /nfs/dbraw/zinc/65/95/85/666659585.db2.gz WCNYREHCGUYEQK-GWUWNPHMSA-N 1 3 323.437 0.029 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996311383 666769479 /nfs/dbraw/zinc/76/94/79/666769479.db2.gz SCQZOTREBJYYBA-LBPRGKRZSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCOC)C1 ZINC001033831157 666840750 /nfs/dbraw/zinc/84/07/50/666840750.db2.gz UBGYJYFVNVAWAH-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO Cn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000996726770 666880209 /nfs/dbraw/zinc/88/02/09/666880209.db2.gz AQRVMHSFHIGAAU-OAHLLOKOSA-N 1 3 320.441 0.380 20 0 DCADHO O=C(N[C@@H]1CCCCN(CCO)C1)C12CCC[NH+](CCC1)C2 ZINC001034257536 666967298 /nfs/dbraw/zinc/96/72/98/666967298.db2.gz KLBAXXVZIXYHNL-OAHLLOKOSA-N 1 3 309.454 0.825 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000997011741 667073992 /nfs/dbraw/zinc/07/39/92/667073992.db2.gz CSCQRIMOXQTJMC-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997041463 667085800 /nfs/dbraw/zinc/08/58/00/667085800.db2.gz KNBOYUAZSAVVPG-CXAGYDPISA-N 1 3 318.421 0.959 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034643069 667089035 /nfs/dbraw/zinc/08/90/35/667089035.db2.gz OJWNBOCPNCXUIN-MGPQQGTHSA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001034971157 667201176 /nfs/dbraw/zinc/20/11/76/667201176.db2.gz FAGKYUPMQBRKSW-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)C1 ZINC001035048105 667228431 /nfs/dbraw/zinc/22/84/31/667228431.db2.gz LQYUQCMGUZKPIF-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001035050419 667229145 /nfs/dbraw/zinc/22/91/45/667229145.db2.gz DCHYUWFPIHWSKX-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1nccc1CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997301145 667234549 /nfs/dbraw/zinc/23/45/49/667234549.db2.gz BKWBYPKSYCVEQX-UHFFFAOYSA-N 1 3 319.453 0.639 20 0 DCADHO Cn1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000997306345 667244177 /nfs/dbraw/zinc/24/41/77/667244177.db2.gz FAKRDWQEFFHQOM-UHFFFAOYSA-N 1 3 305.426 0.597 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1)C(N)=O ZINC000997366775 667260517 /nfs/dbraw/zinc/26/05/17/667260517.db2.gz KLPQPZWMHUERPY-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CCO)C2)CC1)N(C)C ZINC001035225481 667271871 /nfs/dbraw/zinc/27/18/71/667271871.db2.gz CSSBZXZWJQXTNP-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001035225481 667271874 /nfs/dbraw/zinc/27/18/74/667271874.db2.gz CSSBZXZWJQXTNP-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035719877 667403628 /nfs/dbraw/zinc/40/36/28/667403628.db2.gz CMBIKYYIBOHGCA-DZGCQCFKSA-N 1 3 309.454 0.632 20 0 DCADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035732705 667405205 /nfs/dbraw/zinc/40/52/05/667405205.db2.gz FSJNCIIKSABJIC-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035732705 667405207 /nfs/dbraw/zinc/40/52/07/667405207.db2.gz FSJNCIIKSABJIC-HZPDHXFCSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC2(CN(CCO)C2)CC1 ZINC001035755069 667406917 /nfs/dbraw/zinc/40/69/17/667406917.db2.gz IMSJFJMAMHFDEF-INIZCTEOSA-N 1 3 321.465 0.778 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)CC[C@H]1[NH2+]Cc1cnns1 ZINC001036293028 667434454 /nfs/dbraw/zinc/43/44/54/667434454.db2.gz FKEGMZCNOZQELY-GXTWGEPZSA-N 1 3 323.466 0.961 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)CC1 ZINC000946831426 667451575 /nfs/dbraw/zinc/45/15/75/667451575.db2.gz ZNAWHCNFAVJGEH-CALCHBBNSA-N 1 3 323.481 0.881 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)CC1 ZINC000946831426 667451576 /nfs/dbraw/zinc/45/15/76/667451576.db2.gz ZNAWHCNFAVJGEH-CALCHBBNSA-N 1 3 323.481 0.881 20 0 DCADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000923262741 667488739 /nfs/dbraw/zinc/48/87/39/667488739.db2.gz USGPLVQBJFNOES-CABCVRRESA-N 1 3 305.426 0.753 20 0 DCADHO COCC[C@@H]([NH3+])C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000884232404 667506406 /nfs/dbraw/zinc/50/64/06/667506406.db2.gz QIEBAGMWLZBZJM-QWHCGFSZSA-N 1 3 307.394 0.706 20 0 DCADHO CCNS(=O)(=O)[C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923372205 667518482 /nfs/dbraw/zinc/51/84/82/667518482.db2.gz FKUJDHNJEKLBPI-DKUMPPAJSA-N 1 3 315.483 0.921 20 0 DCADHO Cc1cccc(C)c1OC[C@H](O)CN1CCC(O)(C[NH3+])CC1 ZINC000923379891 667521236 /nfs/dbraw/zinc/52/12/36/667521236.db2.gz BISPDQWDLSNQNA-OAHLLOKOSA-N 1 3 308.422 0.829 20 0 DCADHO CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923411012 667529491 /nfs/dbraw/zinc/52/94/91/667529491.db2.gz LXNWKPJCACVBBH-XNRPHZJLSA-N 1 3 321.421 0.911 20 0 DCADHO CCN(CCO)CCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868182784 667540240 /nfs/dbraw/zinc/54/02/40/667540240.db2.gz XSRVNDUTMDXVPC-LSDHHAIUSA-N 1 3 306.410 0.937 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000923489737 667546328 /nfs/dbraw/zinc/54/63/28/667546328.db2.gz GSOLFIBJXWPGPF-AWEZNQCLSA-N 1 3 304.394 0.683 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000868304319 667555161 /nfs/dbraw/zinc/55/51/61/667555161.db2.gz GUZUHACGKQKLHC-HDJSIYSDSA-N 1 3 318.421 0.849 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@H]1C[NH3+] ZINC000868403940 667566809 /nfs/dbraw/zinc/56/68/09/667566809.db2.gz BDIFRCKSHHCXLO-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1(C)C ZINC000868407643 667567685 /nfs/dbraw/zinc/56/76/85/667567685.db2.gz ZGGYSCQCIFLLOK-SUMWQHHRSA-N 1 3 322.453 0.269 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868418932 667569971 /nfs/dbraw/zinc/56/99/71/667569971.db2.gz SLECCXFWMSOSOD-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H]1CCCCN1CC)[C@H]1CC[NH2+]C1 ZINC000884617732 667576230 /nfs/dbraw/zinc/57/62/30/667576230.db2.gz RUJDNIKDSXSMSX-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884664889 667584758 /nfs/dbraw/zinc/58/47/58/667584758.db2.gz XMTBQANZOXPHIT-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC1(C)C ZINC000884685256 667589809 /nfs/dbraw/zinc/58/98/09/667589809.db2.gz BXRQKWPLEYOMKV-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000884775418 667605654 /nfs/dbraw/zinc/60/56/54/667605654.db2.gz DMKKISRCVXWFSZ-OLZOCXBDSA-N 1 3 310.442 0.363 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884911662 667622651 /nfs/dbraw/zinc/62/26/51/667622651.db2.gz QWJCKZZYEZFANL-JOCQHMNTSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000838301513 667684958 /nfs/dbraw/zinc/68/49/58/667684958.db2.gz FAKIDJLCIYHPPD-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000838301513 667684959 /nfs/dbraw/zinc/68/49/59/667684959.db2.gz FAKIDJLCIYHPPD-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CN(C[C@@](C)(O)C(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000886097552 667732165 /nfs/dbraw/zinc/73/21/65/667732165.db2.gz BKOLRYQSFBZVRI-VNHYZAJKSA-N 1 3 305.413 0.960 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000886097552 667732170 /nfs/dbraw/zinc/73/21/70/667732170.db2.gz BKOLRYQSFBZVRI-VNHYZAJKSA-N 1 3 305.413 0.960 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000886097552 667732175 /nfs/dbraw/zinc/73/21/75/667732175.db2.gz BKOLRYQSFBZVRI-VNHYZAJKSA-N 1 3 305.413 0.960 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000870982368 667781130 /nfs/dbraw/zinc/78/11/30/667781130.db2.gz ZGBPSVMKDGHGJR-HOCLYGCPSA-N 1 3 310.486 0.844 20 0 DCADHO CCN(C(=O)C(=O)N(C)CCN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000887070444 667845918 /nfs/dbraw/zinc/84/59/18/667845918.db2.gz MNOUBMJVQBQSRY-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(=O)N[C@H]1CCCN(C(=O)CN(C)CCCCCC[NH3+])C1 ZINC000872155298 667870299 /nfs/dbraw/zinc/87/02/99/667870299.db2.gz GXIJUXAPONVBPM-HNNXBMFYSA-N 1 3 312.458 0.564 20 0 DCADHO COC(=O)C1CCN(C(=O)CN(C)CCCCCC[NH3+])CC1 ZINC000872155384 667870907 /nfs/dbraw/zinc/87/09/07/667870907.db2.gz MFZCGXLEFNGKPT-UHFFFAOYSA-N 1 3 313.442 0.849 20 0 DCADHO COC1CCN(CCNC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000751039733 667994634 /nfs/dbraw/zinc/99/46/34/667994634.db2.gz SETHBKGGODLSSZ-UHFFFAOYSA-N 1 3 314.499 0.656 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889770179 667994947 /nfs/dbraw/zinc/99/49/47/667994947.db2.gz YXCFLVQXGRQGRH-QKPAOTATSA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889770179 667994948 /nfs/dbraw/zinc/99/49/48/667994948.db2.gz YXCFLVQXGRQGRH-QKPAOTATSA-N 1 3 309.454 0.917 20 0 DCADHO CC1(C)CC[C@H](CNC2CCN(S(C)(=O)=O)CC2)[NH2+]C1 ZINC000873236219 668067595 /nfs/dbraw/zinc/06/75/95/668067595.db2.gz YUBCUOFGGFVZIC-CYBMUJFWSA-N 1 3 303.472 0.778 20 0 DCADHO O=S(=O)(C1CNC1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923703930 668172080 /nfs/dbraw/zinc/17/20/80/668172080.db2.gz SLPJILRVVIWRPU-GFCCVEGCSA-N 1 3 301.456 0.390 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[N@@H+]1C ZINC000875208016 668280528 /nfs/dbraw/zinc/28/05/28/668280528.db2.gz OHYGLOZCPKNDIM-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[N@H+]1C ZINC000875208016 668280533 /nfs/dbraw/zinc/28/05/33/668280533.db2.gz OHYGLOZCPKNDIM-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CCC1(C)C ZINC000875245105 668288375 /nfs/dbraw/zinc/28/83/75/668288375.db2.gz AHZRGJQDYCAJCQ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000925556772 668329450 /nfs/dbraw/zinc/32/94/50/668329450.db2.gz LENGNQJUBNDBME-GJZGRUSLSA-N 1 3 308.470 0.803 20 0 DCADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000925606517 668335025 /nfs/dbraw/zinc/33/50/25/668335025.db2.gz KJYSYPQISDGWBD-YNEHKIRRSA-N 1 3 303.472 0.906 20 0 DCADHO C[C@@H]1NCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000925669426 668340853 /nfs/dbraw/zinc/34/08/53/668340853.db2.gz BXTAHIOADGNCJR-NIOBXDJOSA-N 1 3 308.470 0.800 20 0 DCADHO [NH3+]CCC[C@H](NS(=O)(=O)N1CCNCC1)c1ccccc1 ZINC000923641244 668363760 /nfs/dbraw/zinc/36/37/60/668363760.db2.gz LHWPBHNPLUUEGC-AWEZNQCLSA-N 1 3 312.439 0.206 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000926319918 668393997 /nfs/dbraw/zinc/39/39/97/668393997.db2.gz JSVXHRXIIDZXIM-HUUCEWRRSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926323034 668394655 /nfs/dbraw/zinc/39/46/55/668394655.db2.gz XMEYJLMOTKRXBA-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876513591 668459339 /nfs/dbraw/zinc/45/93/39/668459339.db2.gz GDOCELXUMSADRW-JKSUJKDBSA-N 1 3 304.438 0.643 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000927639528 668490185 /nfs/dbraw/zinc/49/01/85/668490185.db2.gz DRFNOTYKCHAYJB-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876780907 668509868 /nfs/dbraw/zinc/50/98/68/668509868.db2.gz JMZIMCPMFWTMKQ-MCIONIFRSA-N 1 3 300.422 0.076 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876782262 668510466 /nfs/dbraw/zinc/51/04/66/668510466.db2.gz OBKHMDXGTVZTME-NUJGCVRESA-N 1 3 322.497 0.908 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1)[NH+](C)C ZINC000954323366 668559489 /nfs/dbraw/zinc/55/94/89/668559489.db2.gz FXMLXGDBBZENBK-MRXNPFEDSA-N 1 3 324.469 0.338 20 0 DCADHO [NH3+][C@H](CCNC(=O)c1[nH]nc2c1CNCC2)Cc1ccccc1 ZINC000877158879 668569621 /nfs/dbraw/zinc/56/96/21/668569621.db2.gz NLGILWYFVRCYMJ-CYBMUJFWSA-N 1 3 313.405 0.745 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=S)NCCC[NH+](C)C ZINC000769766467 668661112 /nfs/dbraw/zinc/66/11/12/668661112.db2.gz MUWAKVSDLAJMCZ-AWEZNQCLSA-N 1 3 315.531 0.428 20 0 DCADHO COC(=O)[C@]12CCC[C@H]1N(CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000880184452 669173958 /nfs/dbraw/zinc/17/39/58/669173958.db2.gz GXDOFGGNQFMHAZ-PBHICJAKSA-N 1 3 323.437 0.614 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000931439777 669204461 /nfs/dbraw/zinc/20/44/61/669204461.db2.gz ZWJIOJQBIHEEKA-KEYYUXOJSA-N 1 3 303.406 0.243 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000931439777 669204466 /nfs/dbraw/zinc/20/44/66/669204466.db2.gz ZWJIOJQBIHEEKA-KEYYUXOJSA-N 1 3 303.406 0.243 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793722170 669738357 /nfs/dbraw/zinc/73/83/57/669738357.db2.gz KLJQFZHOFCCIOM-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000793722170 669738361 /nfs/dbraw/zinc/73/83/61/669738361.db2.gz KLJQFZHOFCCIOM-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000883769928 669747439 /nfs/dbraw/zinc/74/74/39/669747439.db2.gz GIASVZQMHIPQKK-SOUVJXGZSA-N 1 3 314.474 0.983 20 0 DCADHO COC[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000883769928 669747442 /nfs/dbraw/zinc/74/74/42/669747442.db2.gz GIASVZQMHIPQKK-SOUVJXGZSA-N 1 3 314.474 0.983 20 0 DCADHO CC[C@@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947519085 669978381 /nfs/dbraw/zinc/97/83/81/669978381.db2.gz PVWMUHZPXNQBHB-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947519085 669978383 /nfs/dbraw/zinc/97/83/83/669978383.db2.gz PVWMUHZPXNQBHB-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn2c(n1)CCC2 ZINC000855345533 670700597 /nfs/dbraw/zinc/70/05/97/670700597.db2.gz SUTGSYOITBXZDZ-ZDUSSCGKSA-N 1 3 307.442 0.831 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn2c(n1)CCC2 ZINC000855345533 670700601 /nfs/dbraw/zinc/70/06/01/670700601.db2.gz SUTGSYOITBXZDZ-ZDUSSCGKSA-N 1 3 307.442 0.831 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1ccccn1 ZINC000855346747 670701141 /nfs/dbraw/zinc/70/11/41/670701141.db2.gz KYEBDMCMBLTRCP-ZFWWWQNUSA-N 1 3 308.426 0.503 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1ccccn1 ZINC000855346747 670701144 /nfs/dbraw/zinc/70/11/44/670701144.db2.gz KYEBDMCMBLTRCP-ZFWWWQNUSA-N 1 3 308.426 0.503 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000848616880 670706257 /nfs/dbraw/zinc/70/62/57/670706257.db2.gz WSVMFXMQNLEAFS-KKUMJFAQSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CCCCC1 ZINC000848931739 670741885 /nfs/dbraw/zinc/74/18/85/670741885.db2.gz HFGODKUDRCLLCW-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCNc1ncccn1 ZINC000849000332 670748088 /nfs/dbraw/zinc/74/80/88/670748088.db2.gz KJXYUIGTAGVNNP-ZDUSSCGKSA-N 1 3 305.430 0.877 20 0 DCADHO CC1(C)CCCN1CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000849038996 670753310 /nfs/dbraw/zinc/75/33/10/670753310.db2.gz CHAWVAJCLFTAKY-UHFFFAOYSA-N 1 3 311.474 0.697 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N1CCCCC1 ZINC000857100757 670881126 /nfs/dbraw/zinc/88/11/26/670881126.db2.gz MQAYIVDOGZSKFQ-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817962872 670956413 /nfs/dbraw/zinc/95/64/13/670956413.db2.gz MJKPEKDBJZHAAV-YOEHRIQHSA-N 1 3 322.453 0.284 20 0 DCADHO O=C(CNc1ccnc(CO)c1)NCC[NH+]1CCCCCC1 ZINC000858554264 671015832 /nfs/dbraw/zinc/01/58/32/671015832.db2.gz DWSTXEMWLYJGBO-UHFFFAOYSA-N 1 3 306.410 0.978 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000827309320 671522451 /nfs/dbraw/zinc/52/24/51/671522451.db2.gz GROYZGHCHCMAGC-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000827309320 671522453 /nfs/dbraw/zinc/52/24/53/671522453.db2.gz GROYZGHCHCMAGC-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)c1cccc(C[NH3+])c1 ZINC000830239973 671620212 /nfs/dbraw/zinc/62/02/12/671620212.db2.gz DKDZVXOTEDDPHA-UHFFFAOYSA-N 1 3 304.438 0.855 20 0 DCADHO [NH3+]CCOc1cccc(NC(=O)c2n[nH]c3c2CNCC3)c1 ZINC000832606638 671728035 /nfs/dbraw/zinc/72/80/35/671728035.db2.gz LRTBNRGHTNMESB-UHFFFAOYSA-N 1 3 301.350 0.645 20 0 DCADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1C[NH3+] ZINC000841791270 671955989 /nfs/dbraw/zinc/95/59/89/671955989.db2.gz RGXYIIFWTXZEEY-CBBWQLFWSA-N 1 3 310.442 0.476 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841791091 671956554 /nfs/dbraw/zinc/95/65/54/671956554.db2.gz NBZQVOJZOGLGPP-XQLPTFJDSA-N 1 3 310.442 0.761 20 0 DCADHO O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccc2c(c1)CNCCO2 ZINC000841852102 671960191 /nfs/dbraw/zinc/96/01/91/671960191.db2.gz DEVALJSBBZMRFZ-AWEZNQCLSA-N 1 3 305.378 0.876 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCCCC1 ZINC000842014545 671974002 /nfs/dbraw/zinc/97/40/02/671974002.db2.gz COMHBDWOCSUTBJ-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCCCC1 ZINC000842016458 671975300 /nfs/dbraw/zinc/97/53/00/671975300.db2.gz VWOVHYNUMFEKCZ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2C[NH2+]CCO2)cc(Cl)n1 ZINC000842510807 672015792 /nfs/dbraw/zinc/01/57/92/672015792.db2.gz SWVZMSIFLHBACG-VXGBXAGGSA-N 1 3 312.801 0.538 20 0 DCADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000843490596 672104446 /nfs/dbraw/zinc/10/44/46/672104446.db2.gz KSZNDISOUNEANS-FZMZJTMJSA-N 1 3 303.410 0.612 20 0 DCADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000843490596 672104449 /nfs/dbraw/zinc/10/44/49/672104449.db2.gz KSZNDISOUNEANS-FZMZJTMJSA-N 1 3 303.410 0.612 20 0 DCADHO C[C@H]([NH2+]C[C@H](O)CN(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000305147294 685213431 /nfs/dbraw/zinc/21/34/31/685213431.db2.gz SEHJPAXGOIDDCJ-SZMVWBNQSA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000305147294 685213432 /nfs/dbraw/zinc/21/34/32/685213432.db2.gz SEHJPAXGOIDDCJ-SZMVWBNQSA-N 1 3 321.465 0.788 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000954842945 686159577 /nfs/dbraw/zinc/15/95/77/686159577.db2.gz OLJJUROZVOWBJS-CQSZACIVSA-N 1 3 322.453 0.092 20 0 DCADHO O=C(NC[C@@H]1CCN1CC1CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534526 694108916 /nfs/dbraw/zinc/10/89/16/694108916.db2.gz HYFRRFWMWCKAJQ-GWUWNPHMSA-N 1 3 305.422 0.450 20 0 DCADHO O=C(NC[C@@H]1CCN1CC1CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534526 694108918 /nfs/dbraw/zinc/10/89/18/694108918.db2.gz HYFRRFWMWCKAJQ-GWUWNPHMSA-N 1 3 305.422 0.450 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CC[C@@H]2CCOC2)CC1 ZINC001038664710 694154445 /nfs/dbraw/zinc/15/44/45/694154445.db2.gz WVOCXBRKFGENHW-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000960220805 688327989 /nfs/dbraw/zinc/32/79/89/688327989.db2.gz YWSZCPYJHRHWAE-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000960220805 688327994 /nfs/dbraw/zinc/32/79/94/688327994.db2.gz YWSZCPYJHRHWAE-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC2CC(CNCc3ccn(C)n3)C2)C1 ZINC000962308204 688879667 /nfs/dbraw/zinc/87/96/67/688879667.db2.gz BDEZYVWITMGJBH-VQCLRJIVSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNCc3ccn(C)n3)C2)C1 ZINC000962308204 688879670 /nfs/dbraw/zinc/87/96/70/688879670.db2.gz BDEZYVWITMGJBH-VQCLRJIVSA-N 1 3 319.453 0.746 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962537640 688935474 /nfs/dbraw/zinc/93/54/74/688935474.db2.gz ZDVUBHGEXPXPSC-HIFPTAJRSA-N 1 3 323.466 0.864 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962537640 688935478 /nfs/dbraw/zinc/93/54/78/688935478.db2.gz ZDVUBHGEXPXPSC-HIFPTAJRSA-N 1 3 323.466 0.864 20 0 DCADHO COc1cc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC000962700942 688968468 /nfs/dbraw/zinc/96/84/68/688968468.db2.gz GKFQOYLXWTYLAR-OTTFEQOBSA-N 1 3 322.409 0.619 20 0 DCADHO COc1cc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC000962700942 688968472 /nfs/dbraw/zinc/96/84/72/688968472.db2.gz GKFQOYLXWTYLAR-OTTFEQOBSA-N 1 3 322.409 0.619 20 0 DCADHO NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963420780 689048663 /nfs/dbraw/zinc/04/86/63/689048663.db2.gz YYTWWYPJLZSVEY-CABCVRRESA-N 1 3 322.453 0.271 20 0 DCADHO NC(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963420780 689048665 /nfs/dbraw/zinc/04/86/65/689048665.db2.gz YYTWWYPJLZSVEY-CABCVRRESA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965932897 689585959 /nfs/dbraw/zinc/58/59/59/689585959.db2.gz CMMYGJHTJNCDGQ-CBTLZMEFSA-N 1 3 309.454 0.869 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC(N)=O)C2)CC1)N(C)C ZINC001039138593 694309919 /nfs/dbraw/zinc/30/99/19/694309919.db2.gz YFWWODNUMLORQA-LSDHHAIUSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC(N)=O)C2)CC1)N(C)C ZINC001039138593 694309925 /nfs/dbraw/zinc/30/99/25/694309925.db2.gz YFWWODNUMLORQA-LSDHHAIUSA-N 1 3 324.469 0.372 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000967839369 690099574 /nfs/dbraw/zinc/09/95/74/690099574.db2.gz HABNHJLPKVBBLP-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000967839369 690099579 /nfs/dbraw/zinc/09/95/79/690099579.db2.gz HABNHJLPKVBBLP-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967923655 690122517 /nfs/dbraw/zinc/12/25/17/690122517.db2.gz AMTIMQVLUHEAFH-CABCVRRESA-N 1 3 305.426 0.513 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000967975802 690140625 /nfs/dbraw/zinc/14/06/25/690140625.db2.gz YXNRLSMDFCQKIX-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000967975802 690140628 /nfs/dbraw/zinc/14/06/28/690140628.db2.gz YXNRLSMDFCQKIX-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC000968737927 690382502 /nfs/dbraw/zinc/38/25/02/690382502.db2.gz JGGUXTRCMPLILL-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC000968737927 690382504 /nfs/dbraw/zinc/38/25/04/690382504.db2.gz JGGUXTRCMPLILL-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@@H](NCCF)C1 ZINC000968907415 690420917 /nfs/dbraw/zinc/42/09/17/690420917.db2.gz MGKBFVKVTQJMRG-HIFRSBDPSA-N 1 3 313.417 0.790 20 0 DCADHO O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@@H](NCCF)C1 ZINC000968907415 690420919 /nfs/dbraw/zinc/42/09/19/690420919.db2.gz MGKBFVKVTQJMRG-HIFRSBDPSA-N 1 3 313.417 0.790 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968912796 690423290 /nfs/dbraw/zinc/42/32/90/690423290.db2.gz RYHKCBNSFLKCGQ-HIFRSBDPSA-N 1 3 305.426 0.451 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC000968926478 690426880 /nfs/dbraw/zinc/42/68/80/690426880.db2.gz IBHBZPUWVFEERO-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001010727787 691363678 /nfs/dbraw/zinc/36/36/78/691363678.db2.gz WVRHSIGUDKKGHT-LSDHHAIUSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)C1(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001011158731 691478802 /nfs/dbraw/zinc/47/88/02/691478802.db2.gz DSVXRALKRZRWQT-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C1(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001011158731 691478803 /nfs/dbraw/zinc/47/88/03/691478803.db2.gz DSVXRALKRZRWQT-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015323900 692264869 /nfs/dbraw/zinc/26/48/69/692264869.db2.gz LWZIVBUZCUIPDD-GWUWNPHMSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015323900 692264874 /nfs/dbraw/zinc/26/48/74/692264874.db2.gz LWZIVBUZCUIPDD-GWUWNPHMSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016614290 692731581 /nfs/dbraw/zinc/73/15/81/692731581.db2.gz LWBDAOYIGVLSFR-GJZGRUSLSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1)[NH+]1CCCCC1 ZINC001018848192 693261284 /nfs/dbraw/zinc/26/12/84/693261284.db2.gz GCQZCJWOAQHRBO-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC001018850283 693261922 /nfs/dbraw/zinc/26/19/22/693261922.db2.gz QWUBNCHOJWCJOT-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H](NCCF)C1 ZINC001018963382 693299476 /nfs/dbraw/zinc/29/94/76/693299476.db2.gz MGKBFVKVTQJMRG-DZGCQCFKSA-N 1 3 313.417 0.790 20 0 DCADHO O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H](NCCF)C1 ZINC001018963382 693299480 /nfs/dbraw/zinc/29/94/80/693299480.db2.gz MGKBFVKVTQJMRG-DZGCQCFKSA-N 1 3 313.417 0.790 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019169752 693376754 /nfs/dbraw/zinc/37/67/54/693376754.db2.gz JDLPJMOCRLWIMB-GWUWNPHMSA-N 1 3 305.422 0.450 20 0 DCADHO CC(C)(C(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1)[NH+]1CCCC1 ZINC001019231179 693400559 /nfs/dbraw/zinc/40/05/59/693400559.db2.gz QOIQCUGBTQKGRG-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001019382730 693455710 /nfs/dbraw/zinc/45/57/10/693455710.db2.gz ILXPODNYBADPQA-GJZGRUSLSA-N 1 3 305.426 0.415 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC001019394140 693461327 /nfs/dbraw/zinc/46/13/27/693461327.db2.gz AIOWFVMFDBIHQQ-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001019394148 693461358 /nfs/dbraw/zinc/46/13/58/693461358.db2.gz AIOWFVMFDBIHQQ-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001019560353 693522339 /nfs/dbraw/zinc/52/23/39/693522339.db2.gz BSUYCQVBHNSSOK-INIZCTEOSA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N1CCCCC1 ZINC001020152573 693715394 /nfs/dbraw/zinc/71/53/94/693715394.db2.gz RHFAMBQWIQQDDI-MGPQQGTHSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687793 694917125 /nfs/dbraw/zinc/91/71/25/694917125.db2.gz MTWQFFDIPZYOIT-AEGPPILISA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C)N(C)C ZINC001074709907 694918440 /nfs/dbraw/zinc/91/84/40/694918440.db2.gz VOBSYNPAINWAIT-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)[C@@H]1C)N(C)C ZINC001074885533 694928627 /nfs/dbraw/zinc/92/86/27/694928627.db2.gz JXZPGGOILSHHDW-XQLPTFJDSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@H]2CCCN(C)C2=O)CCN1C(=O)CN1CCCC1 ZINC001075110892 694938720 /nfs/dbraw/zinc/93/87/20/694938720.db2.gz DBHZFNIUOCGGSI-KKUMJFAQSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2=CCCCC2)C1 ZINC001571441264 1162757097 /nfs/dbraw/zinc/75/70/97/1162757097.db2.gz UTVHWIRHALEUTO-ZBFHGGJFSA-N 1 3 309.454 0.895 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]C/C=C/Cl)N(C)C ZINC001571594586 1162837067 /nfs/dbraw/zinc/83/70/67/1162837067.db2.gz DZSWBUPIYIXZKF-AMRKSYTLSA-N 1 3 305.850 0.734 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001648964987 1158191931 /nfs/dbraw/zinc/19/19/31/1158191931.db2.gz WXVCTDUSXUQEHB-HOCLYGCPSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCc1cnn(C)c1 ZINC001691619124 1158359274 /nfs/dbraw/zinc/35/92/74/1158359274.db2.gz CMTWPIPSIPGMCX-OKILXGFUSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCc1cnn(C)c1 ZINC001691619124 1158359280 /nfs/dbraw/zinc/35/92/80/1158359280.db2.gz CMTWPIPSIPGMCX-OKILXGFUSA-N 1 3 307.442 0.841 20 0 DCADHO O=C(NCC[C@H]1CSCC[NH2+]1)c1ccc2c(c1)OCCNC2 ZINC001649009733 1158434013 /nfs/dbraw/zinc/43/40/13/1158434013.db2.gz AVCMTFQNMSTFFS-AWEZNQCLSA-N 1 3 321.446 0.994 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CCO)[C@@H](C)C2)CC1 ZINC001185380686 1158872924 /nfs/dbraw/zinc/87/29/24/1158872924.db2.gz LPNUTMKJMRYPSC-JKSUJKDBSA-N 1 3 311.470 0.785 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446701203 1159505815 /nfs/dbraw/zinc/50/58/15/1159505815.db2.gz IJPYAPLZRSHPGO-AWEZNQCLSA-N 1 3 313.442 0.107 20 0 DCADHO CC[N@@H+](CC(=O)NC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001447734868 1159691667 /nfs/dbraw/zinc/69/16/67/1159691667.db2.gz NONZWBPWEQYBGC-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](CC(=O)NC)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001447734868 1159691677 /nfs/dbraw/zinc/69/16/77/1159691677.db2.gz NONZWBPWEQYBGC-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CCn2cncn2)C1 ZINC001566491414 1160012070 /nfs/dbraw/zinc/01/20/70/1160012070.db2.gz WNLHYYYPGYPJIZ-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CCn2cncn2)C1 ZINC001566491414 1160012078 /nfs/dbraw/zinc/01/20/78/1160012078.db2.gz WNLHYYYPGYPJIZ-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(N)=O ZINC001567641875 1160445757 /nfs/dbraw/zinc/44/57/57/1160445757.db2.gz WMJHABYXAKUSGA-CQSZACIVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567741877 1160469314 /nfs/dbraw/zinc/46/93/14/1160469314.db2.gz JCKHCOZYYWFTSH-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001568143417 1160583907 /nfs/dbraw/zinc/58/39/07/1160583907.db2.gz HRZWNCNUHIRQDH-HZPDHXFCSA-N 1 3 319.453 0.637 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC[C@@H]1CCCCO1 ZINC001568589776 1160696388 /nfs/dbraw/zinc/69/63/88/1160696388.db2.gz SVHBOJYSGXEHCA-KGLIPLIRSA-N 1 3 324.425 0.287 20 0 DCADHO CCCNC(=O)CNCCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568743021 1160756126 /nfs/dbraw/zinc/75/61/26/1160756126.db2.gz AEOIXCKFGMLPSF-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001568849876 1160815440 /nfs/dbraw/zinc/81/54/40/1160815440.db2.gz BJQHFZUWXLAMTK-MEWZEZIVSA-N 1 3 310.442 0.385 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001568849876 1160815450 /nfs/dbraw/zinc/81/54/50/1160815450.db2.gz BJQHFZUWXLAMTK-MEWZEZIVSA-N 1 3 310.442 0.385 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568872382 1160834750 /nfs/dbraw/zinc/83/47/50/1160834750.db2.gz WOMIVSIDUUEBDX-VQTKUKTRSA-N 1 3 322.453 0.259 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001568931236 1160876127 /nfs/dbraw/zinc/87/61/27/1160876127.db2.gz XYXNIFVLMMYADI-MUBLQREKSA-N 1 3 310.442 0.115 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001569270005 1160999876 /nfs/dbraw/zinc/99/98/76/1160999876.db2.gz HAIXGGQGWOHXLQ-AWEZNQCLSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001569986839 1161371079 /nfs/dbraw/zinc/37/10/79/1161371079.db2.gz LRLSOULZRCYCII-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)C1 ZINC001574000460 1163620394 /nfs/dbraw/zinc/62/03/94/1163620394.db2.gz CVTKKNQPJJIQDJ-SYQHCUMBSA-N 1 3 313.467 0.402 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)C12CCC[NH+]1CCC2 ZINC001575333935 1163978964 /nfs/dbraw/zinc/97/89/64/1163978964.db2.gz YZVQJSNGJHGSLO-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2c[nH]nn2)C1 ZINC001575384841 1163994174 /nfs/dbraw/zinc/99/41/74/1163994174.db2.gz FKXOUUAQUQOEMZ-UKRRQHHQSA-N 1 3 320.441 0.616 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2c[nH]nn2)C1 ZINC001575384841 1163994181 /nfs/dbraw/zinc/99/41/81/1163994181.db2.gz FKXOUUAQUQOEMZ-UKRRQHHQSA-N 1 3 320.441 0.616 20 0 DCADHO CC(C)N1CCC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001575701168 1164112053 /nfs/dbraw/zinc/11/20/53/1164112053.db2.gz XBTMTIGHLQEPPO-KBPBESRZSA-N 1 3 320.441 0.805 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)N(C)CCCN1CCN(C)CC1 ZINC001575943560 1164190181 /nfs/dbraw/zinc/19/01/81/1164190181.db2.gz UGKKIZXJKWJFFM-HNNXBMFYSA-N 1 3 313.490 0.783 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC001575962078 1164193874 /nfs/dbraw/zinc/19/38/74/1164193874.db2.gz KXCKGFRGOKZHPT-VXGBXAGGSA-N 1 3 321.416 0.294 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC001575962075 1164194043 /nfs/dbraw/zinc/19/40/43/1164194043.db2.gz KXCKGFRGOKZHPT-NEPJUHHUSA-N 1 3 321.416 0.294 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC001575962311 1164194579 /nfs/dbraw/zinc/19/45/79/1164194579.db2.gz OUSTUCULTXFNKA-VYDXJSESSA-N 1 3 308.470 0.518 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CN(CCc2cn[nH]n2)C1 ZINC001576073322 1164231281 /nfs/dbraw/zinc/23/12/81/1164231281.db2.gz OJFLQASFOQVXLP-CHWSQXEVSA-N 1 3 320.441 0.268 20 0 DCADHO CC1(C)OC[C@@H](CC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)O1 ZINC001576495767 1164365902 /nfs/dbraw/zinc/36/59/02/1164365902.db2.gz UOYHPZCDNQBGJI-ZIAGYGMSSA-N 1 3 309.414 0.915 20 0 DCADHO CC1(C)OC[C@@H](CC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)O1 ZINC001576495767 1164365906 /nfs/dbraw/zinc/36/59/06/1164365906.db2.gz UOYHPZCDNQBGJI-ZIAGYGMSSA-N 1 3 309.414 0.915 20 0 DCADHO C[C@@]1(CN[C@@H]2CCCN(CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC001576519899 1164376834 /nfs/dbraw/zinc/37/68/34/1164376834.db2.gz VSJUCCVVRZZYLF-QZTJIDSGSA-N 1 3 324.513 0.762 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001576651432 1164424637 /nfs/dbraw/zinc/42/46/37/1164424637.db2.gz ZNTOVJPRXGWCHG-MCIONIFRSA-N 1 3 323.437 0.661 20 0 DCADHO CN(C[C@H]1CCN1CCc1c[nH]nn1)C(=O)C1CC[NH+](C)CC1 ZINC001576880115 1164514071 /nfs/dbraw/zinc/51/40/71/1164514071.db2.gz QQLIADACVKMPEB-OAHLLOKOSA-N 1 3 320.441 0.222 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576906204 1164526064 /nfs/dbraw/zinc/52/60/64/1164526064.db2.gz OPQJABQSAZYIQZ-LSDHHAIUSA-N 1 3 320.441 0.412 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC2(CC1)CNCCO2 ZINC001576996454 1164577955 /nfs/dbraw/zinc/57/79/55/1164577955.db2.gz RYRWWTQWAAUIJI-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC2(CC1)CNCCO2 ZINC001576996454 1164577961 /nfs/dbraw/zinc/57/79/61/1164577961.db2.gz RYRWWTQWAAUIJI-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CCCN(CCN1CCCC1)C(=O)c1cn(C2C[NH2+]C2)nn1 ZINC001577523857 1164713594 /nfs/dbraw/zinc/71/35/94/1164713594.db2.gz IYHMKEGVUPKYAS-UHFFFAOYSA-N 1 3 306.414 0.370 20 0 DCADHO CCN(CCO)CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001577725919 1164774486 /nfs/dbraw/zinc/77/44/86/1164774486.db2.gz WMGGCPNCCFGGLQ-KRWDZBQOSA-N 1 3 305.422 0.348 20 0 DCADHO O=C(NC[C@H]1C[C@@H](NCc2cn[nH]n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001578012732 1164892903 /nfs/dbraw/zinc/89/29/03/1164892903.db2.gz XWFLVAJDCWONTG-LNSITVRQSA-N 1 3 318.425 0.131 20 0 DCADHO CCOc1ccc(CN[C@H]2CC(=O)N(C3C[NH2+]C3)C2)cc1OC ZINC001578179508 1164944627 /nfs/dbraw/zinc/94/46/27/1164944627.db2.gz NCDNTSMEJBHZCV-ZDUSSCGKSA-N 1 3 319.405 0.756 20 0 DCADHO C[NH+](C)CC1(O)CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC001578412052 1165004139 /nfs/dbraw/zinc/00/41/39/1165004139.db2.gz BRFNBWTWWIHFGD-OAHLLOKOSA-N 1 3 305.422 0.992 20 0 DCADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)NC[C@H]1CC[NH2+]1 ZINC001578412453 1165004306 /nfs/dbraw/zinc/00/43/06/1165004306.db2.gz MURAIHKNRJUPRC-KGLIPLIRSA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H](F)C1C[NH2+]C1 ZINC001578412333 1165004591 /nfs/dbraw/zinc/00/45/91/1165004591.db2.gz LOEJJHKGTGDJAL-UONOGXRCSA-N 1 3 313.417 0.646 20 0 DCADHO CN(C)CCSc1nc(CC(=O)NC/C=C/C[NH3+])cs1 ZINC001578419664 1165008932 /nfs/dbraw/zinc/00/89/32/1165008932.db2.gz YQKUSEASPUFBBE-ONEGZZNKSA-N 1 3 314.480 0.970 20 0 DCADHO CN(CCNC(=O)OC(C)(C)C)C[C@@H](O)C1CC[NH2+]CC1 ZINC001578474431 1165030609 /nfs/dbraw/zinc/03/06/09/1165030609.db2.gz XXRHENQZXBBYBG-CYBMUJFWSA-N 1 3 301.431 0.803 20 0 DCADHO CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCN(C)C1 ZINC001578528649 1165043981 /nfs/dbraw/zinc/04/39/81/1165043981.db2.gz IYUSWCZFTRGREL-GJZGRUSLSA-N 1 3 324.469 0.881 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001578528796 1165044531 /nfs/dbraw/zinc/04/45/31/1165044531.db2.gz LNFHALHWRBZCPL-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cnnn1C1C[NH2+]C1 ZINC001578529562 1165046605 /nfs/dbraw/zinc/04/66/05/1165046605.db2.gz YZIXPYQSAWLQKY-ZDUSSCGKSA-N 1 3 306.414 0.273 20 0 DCADHO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001578530843 1165046693 /nfs/dbraw/zinc/04/66/93/1165046693.db2.gz UDXMEQLSFYSTLA-UONOGXRCSA-N 1 3 316.405 0.723 20 0 DCADHO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001578530843 1165046701 /nfs/dbraw/zinc/04/67/01/1165046701.db2.gz UDXMEQLSFYSTLA-UONOGXRCSA-N 1 3 316.405 0.723 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC001578529474 1165046903 /nfs/dbraw/zinc/04/69/03/1165046903.db2.gz VMMJEQUAWVCYGI-ZNMIVQPWSA-N 1 3 310.442 0.618 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001578533323 1165048748 /nfs/dbraw/zinc/04/87/48/1165048748.db2.gz FXLSSAFHAVDCOH-HDJSIYSDSA-N 1 3 311.474 0.439 20 0 DCADHO COCCN(C)CCn1c(C(C)C)nnc1N1CC[NH2+][C@@H](C)C1 ZINC001579022514 1165189699 /nfs/dbraw/zinc/18/96/99/1165189699.db2.gz YJESZEMAOGAERI-AWEZNQCLSA-N 1 3 324.473 0.778 20 0 DCADHO COCn1ncc(C)c1CNC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001579098868 1165206790 /nfs/dbraw/zinc/20/67/90/1165206790.db2.gz RVWRWZDQYCEWRG-CYBMUJFWSA-N 1 3 322.409 0.570 20 0 DCADHO Cn1cncc1C1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC001579984645 1165459662 /nfs/dbraw/zinc/45/96/62/1165459662.db2.gz BMWIDSDQYXOWNU-AWEZNQCLSA-N 1 3 319.453 0.797 20 0 DCADHO O=C([C@H]1CCN1C1CCCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001580483001 1165617703 /nfs/dbraw/zinc/61/77/03/1165617703.db2.gz ACUXHWISEVAZJD-JKSUJKDBSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NC[C@@H]1CCC[NH2+]CC1 ZINC001580653965 1165675725 /nfs/dbraw/zinc/67/57/25/1165675725.db2.gz HFWYBKUQUCLOAZ-KFWWJZLASA-N 1 3 310.442 0.539 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001646173641 1172278538 /nfs/dbraw/zinc/27/85/38/1172278538.db2.gz XZXIQXZJGVUXTA-JSGCOSHPSA-N 1 3 320.393 0.399 20 0 DCADHO CCOC(=O)[C@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001646496084 1172405065 /nfs/dbraw/zinc/40/50/65/1172405065.db2.gz OSDHELUWIHISEG-CQSZACIVSA-N 1 3 322.409 0.026 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH3+])CC(O)C1)N(C)Cc1ccccc1 ZINC001646741898 1172502911 /nfs/dbraw/zinc/50/29/11/1172502911.db2.gz HCWWJYHRGGFVJA-BZOOQXSSSA-N 1 3 305.422 0.723 20 0 DCADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](O)C[NH3+])cc2)CC1 ZINC001646772205 1172522848 /nfs/dbraw/zinc/52/28/48/1172522848.db2.gz HAZCQMYNMGUMRR-INIZCTEOSA-N 1 3 320.437 0.266 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CCC2(CC1)C[NH2+]CCO2 ZINC001646803890 1172541610 /nfs/dbraw/zinc/54/16/10/1172541610.db2.gz NOJKLGHABWBKOX-UHFFFAOYSA-N 1 3 321.446 0.988 20 0 DCADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001647380589 1172853217 /nfs/dbraw/zinc/85/32/17/1172853217.db2.gz GYBYQZFDNIGRGI-BBWFWOEESA-N 1 3 317.433 0.941 20 0 DCADHO CO[C@@H](CN)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001647380589 1172853224 /nfs/dbraw/zinc/85/32/24/1172853224.db2.gz GYBYQZFDNIGRGI-BBWFWOEESA-N 1 3 317.433 0.941 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C1 ZINC001647563200 1172973343 /nfs/dbraw/zinc/97/33/43/1172973343.db2.gz YBYHEYUVLNLEOZ-OLZOCXBDSA-N 1 3 324.425 0.065 20 0 DCADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H](C)C(=O)NC ZINC001649438088 1173134848 /nfs/dbraw/zinc/13/48/48/1173134848.db2.gz YONBJFMPYJOZOF-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H](C)C(=O)NC ZINC001649438088 1173134852 /nfs/dbraw/zinc/13/48/52/1173134852.db2.gz YONBJFMPYJOZOF-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001650365933 1173594358 /nfs/dbraw/zinc/59/43/58/1173594358.db2.gz AJTAUALVTBCSNQ-BZUAXINKSA-N 1 3 320.412 0.291 20 0 DCADHO C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001650373627 1173599573 /nfs/dbraw/zinc/59/95/73/1173599573.db2.gz CZZQCDJCRCVGIG-HZPDHXFCSA-N 1 3 320.437 0.332 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC001650388581 1173610654 /nfs/dbraw/zinc/61/06/54/1173610654.db2.gz CXPYBNDWROJNFL-DJIMGWMZSA-N 1 3 318.465 0.889 20 0 DCADHO CCO[C@H](CNC(=O)c1ccc2c(c1)OCCNC2)C[NH+](C)C ZINC001650394318 1173615283 /nfs/dbraw/zinc/61/52/83/1173615283.db2.gz HETIGYLOCULPCK-OAHLLOKOSA-N 1 3 321.421 0.865 20 0 DCADHO [NH3+][C@H]1C[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC001650434935 1173640287 /nfs/dbraw/zinc/64/02/87/1173640287.db2.gz KACCWXHKVKDZTF-SHTZXODSSA-N 1 3 302.422 0.805 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)N2CCC2)C1 ZINC001664134357 1174399884 /nfs/dbraw/zinc/39/98/84/1174399884.db2.gz BUHYZCHXLGAFBJ-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)N2CCC2)C1 ZINC001664134357 1174399893 /nfs/dbraw/zinc/39/98/93/1174399893.db2.gz BUHYZCHXLGAFBJ-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001667034719 1174656980 /nfs/dbraw/zinc/65/69/80/1174656980.db2.gz YVMFJAGPNOHKGU-KBPBESRZSA-N 1 3 310.446 0.301 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CN[C@H]2CCCN(C)C2=O)C1 ZINC001669040638 1174883377 /nfs/dbraw/zinc/88/33/77/1174883377.db2.gz YLULJLYCRXGQQP-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CN[C@H]2CCCN(C)C2=O)C1 ZINC001669040638 1174883380 /nfs/dbraw/zinc/88/33/80/1174883380.db2.gz YLULJLYCRXGQQP-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC/C=C\CN[C@H]1CCCNC1=O ZINC001669201018 1174909012 /nfs/dbraw/zinc/90/90/12/1174909012.db2.gz KYHNMAWUPMHZJK-OYADATRGSA-N 1 3 322.453 0.403 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001669320884 1174919067 /nfs/dbraw/zinc/91/90/67/1174919067.db2.gz SZFJRFRZQVPTSH-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCc2cnn(C)c2)C1 ZINC001670245894 1174995765 /nfs/dbraw/zinc/99/57/65/1174995765.db2.gz IOFNZGZECSRXBF-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)CN2CC[C@H](C)C2)C1=O ZINC001670246415 1174995893 /nfs/dbraw/zinc/99/58/93/1174995893.db2.gz YOAJTDSYHTWORF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCNC(=O)C1CC1 ZINC001676424305 1175444661 /nfs/dbraw/zinc/44/46/61/1175444661.db2.gz OVVVDLSEZVEXAS-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CCOCC[NH2+]Cc1ccnn1C)C(=O)[C@H]1CCCN1C ZINC001677479881 1175568274 /nfs/dbraw/zinc/56/82/74/1175568274.db2.gz LWQBOACEUJHPEE-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001691760058 1175921780 /nfs/dbraw/zinc/92/17/80/1175921780.db2.gz IGIURTBEHFIJAC-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001689338886 1176833096 /nfs/dbraw/zinc/83/30/96/1176833096.db2.gz FZIIZUZHEFVQQJ-GWQWAINWSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001689338886 1176833101 /nfs/dbraw/zinc/83/31/01/1176833101.db2.gz FZIIZUZHEFVQQJ-GWQWAINWSA-N 1 3 322.453 0.213 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCCN1CC[NH+](CC2CC2)CC1 ZINC001690054822 1177152872 /nfs/dbraw/zinc/15/28/72/1177152872.db2.gz FBIFLZREWUDBRU-INIZCTEOSA-N 1 3 308.470 0.615 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000127809284 1177321572 /nfs/dbraw/zinc/32/15/72/1177321572.db2.gz SIHYSXDOPJZEAF-GJZGRUSLSA-N 1 3 315.458 0.161 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)n1 ZINC001698861559 1177698963 /nfs/dbraw/zinc/69/89/63/1177698963.db2.gz PQRUWDOMVNUFPX-ZDUSSCGKSA-N 1 3 324.473 0.672 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cnn(C)c1)N(C)C ZINC001699134938 1177885313 /nfs/dbraw/zinc/88/53/13/1177885313.db2.gz NTPLRDJEKRQVCI-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO Cc1nnsc1CNCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001699148688 1177896127 /nfs/dbraw/zinc/89/61/27/1177896127.db2.gz VOSWFCLBDZQQEH-LLVKDONJSA-N 1 3 323.466 0.927 20 0 DCADHO CC(C)(C(=O)NC/C=C/CN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001699291542 1178034436 /nfs/dbraw/zinc/03/44/36/1178034436.db2.gz HNANWVCGTWRURI-ITDFMYJTSA-N 1 3 308.426 0.011 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001700064534 1178466220 /nfs/dbraw/zinc/46/62/20/1178466220.db2.gz DKSVFPFRPACMLV-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCOCCO)CC1 ZINC001700279552 1178565091 /nfs/dbraw/zinc/56/50/91/1178565091.db2.gz OYTTYKQMRCPNBE-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001703222985 1179404212 /nfs/dbraw/zinc/40/42/12/1179404212.db2.gz YOKJJHFFCKBXKE-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(CC(=O)NCCNC(=O)C1(C[NH+](C)C)CC1)C1CCC1 ZINC001703231803 1179409022 /nfs/dbraw/zinc/40/90/22/1179409022.db2.gz YSCMEDNVBRZHNP-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCNC(=O)[C@H]2CCCN2C)C1 ZINC001703632902 1179622951 /nfs/dbraw/zinc/62/29/51/1179622951.db2.gz WAOLESWZOJTYNN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)[C@H]2CCCN2C)C1 ZINC001703632902 1179622957 /nfs/dbraw/zinc/62/29/57/1179622957.db2.gz WAOLESWZOJTYNN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNC(=O)CN1CCCC1)[NH+](C)C ZINC001705042915 1180239839 /nfs/dbraw/zinc/23/98/39/1180239839.db2.gz UEWRDVSUDNRFPC-OGZRUICASA-N 1 3 324.469 0.457 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C1CCC1)[C@@H]1CCNC1=O ZINC001707452780 1180516420 /nfs/dbraw/zinc/51/64/20/1180516420.db2.gz SDEJOVNQRPZHHR-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)[C@@H]1CCNC1=O ZINC001707452780 1180516424 /nfs/dbraw/zinc/51/64/24/1180516424.db2.gz SDEJOVNQRPZHHR-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CC)C1=O ZINC001713029785 1180638289 /nfs/dbraw/zinc/63/82/89/1180638289.db2.gz JIDCECIVBOPWQZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CC)C1=O ZINC001713029785 1180638293 /nfs/dbraw/zinc/63/82/93/1180638293.db2.gz JIDCECIVBOPWQZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000236892878 1180744507 /nfs/dbraw/zinc/74/45/07/1180744507.db2.gz NXFPHMWOQPVZJJ-CQSZACIVSA-N 1 3 304.438 0.901 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001713655082 1180998395 /nfs/dbraw/zinc/99/83/95/1180998395.db2.gz QRBCLPMMMXASIJ-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC[NH2+]Cc1cccc(C(N)=O)c1)C(=O)CN1CCCC1 ZINC001713664022 1181005759 /nfs/dbraw/zinc/00/57/59/1181005759.db2.gz CYWIEPGWPSINSQ-UHFFFAOYSA-N 1 3 318.421 0.429 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCCN2CCCC2=O)CCC1 ZINC001714714502 1181500008 /nfs/dbraw/zinc/50/00/08/1181500008.db2.gz HIXNVWXAJOKHPO-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001714747656 1181522514 /nfs/dbraw/zinc/52/25/14/1181522514.db2.gz FXDNCTGMKZVMOF-AWEZNQCLSA-N 1 3 324.473 0.693 20 0 DCADHO CN(CC(=O)NCc1ccc(C[NH2+]CCO)cc1)C1CCC1 ZINC001715194033 1181712777 /nfs/dbraw/zinc/71/27/77/1181712777.db2.gz IFVQPBFNRGLVAZ-UHFFFAOYSA-N 1 3 305.422 0.869 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715589564 1181879042 /nfs/dbraw/zinc/87/90/42/1181879042.db2.gz ZGHAIEKAYJYGSF-ZFWWWQNUSA-N 1 3 315.433 0.677 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001715589564 1181879047 /nfs/dbraw/zinc/87/90/47/1181879047.db2.gz ZGHAIEKAYJYGSF-ZFWWWQNUSA-N 1 3 315.433 0.677 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715854316 1182052543 /nfs/dbraw/zinc/05/25/43/1182052543.db2.gz RMCNUROWGWNPBD-CFHLNLSMSA-N 1 3 310.442 0.257 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001715859967 1182058266 /nfs/dbraw/zinc/05/82/66/1182058266.db2.gz DGNWZWAKTPTXBJ-PZECUIMESA-N 1 3 324.469 0.455 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001715859967 1182058274 /nfs/dbraw/zinc/05/82/74/1182058274.db2.gz DGNWZWAKTPTXBJ-PZECUIMESA-N 1 3 324.469 0.455 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715907073 1182092123 /nfs/dbraw/zinc/09/21/23/1182092123.db2.gz IGEVBQBHOPIVNB-BUHQSOCUSA-N 1 3 310.442 0.115 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001715907073 1182092128 /nfs/dbraw/zinc/09/21/28/1182092128.db2.gz IGEVBQBHOPIVNB-BUHQSOCUSA-N 1 3 310.442 0.115 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCC(=O)N1CCC1 ZINC001715911402 1182095837 /nfs/dbraw/zinc/09/58/37/1182095837.db2.gz HWHPPVASGQGUIQ-XVWMLYKFSA-N 1 3 322.453 0.355 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCC(=O)N1CCC1 ZINC001715911402 1182095843 /nfs/dbraw/zinc/09/58/43/1182095843.db2.gz HWHPPVASGQGUIQ-XVWMLYKFSA-N 1 3 322.453 0.355 20 0 DCADHO Cc1nccnc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCN1C ZINC001716126615 1182204620 /nfs/dbraw/zinc/20/46/20/1182204620.db2.gz VNYDVYFXCXWEOR-WFASDCNBSA-N 1 3 305.426 0.864 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001716218186 1182260710 /nfs/dbraw/zinc/26/07/10/1182260710.db2.gz XCCXNVKMTVUALL-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCN(C)C1=O ZINC001716380000 1182366080 /nfs/dbraw/zinc/36/60/80/1182366080.db2.gz WSOMYJLIOIAVPS-ICWYTKJFSA-N 1 3 322.453 0.354 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCN(C)C1=O ZINC001716380000 1182366083 /nfs/dbraw/zinc/36/60/83/1182366083.db2.gz WSOMYJLIOIAVPS-ICWYTKJFSA-N 1 3 322.453 0.354 20 0 DCADHO CCOCCN1CC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001716671074 1182488989 /nfs/dbraw/zinc/48/89/89/1182488989.db2.gz KVMJCKVRIMKRLP-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO COCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001717180265 1182714912 /nfs/dbraw/zinc/71/49/12/1182714912.db2.gz SIBUOFILUCBCPJ-CQSZACIVSA-N 1 3 310.398 0.196 20 0 DCADHO CC(C)=CCN[C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001717769438 1182989217 /nfs/dbraw/zinc/98/92/17/1182989217.db2.gz FHIZNYTXSFIHDX-HNNXBMFYSA-N 1 3 309.454 0.895 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCOCC(F)F ZINC001725192016 1184715041 /nfs/dbraw/zinc/71/50/41/1184715041.db2.gz HFIZUWISDIOCMR-NEPJUHHUSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCOCC(F)F ZINC001725192016 1184715047 /nfs/dbraw/zinc/71/50/47/1184715047.db2.gz HFIZUWISDIOCMR-NEPJUHHUSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCOCC(F)F ZINC001725192019 1184715440 /nfs/dbraw/zinc/71/54/40/1184715440.db2.gz HFIZUWISDIOCMR-VXGBXAGGSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCOCC(F)F ZINC001725192019 1184715446 /nfs/dbraw/zinc/71/54/46/1184715446.db2.gz HFIZUWISDIOCMR-VXGBXAGGSA-N 1 3 307.385 0.656 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)CNCCF ZINC001725710076 1184958899 /nfs/dbraw/zinc/95/88/99/1184958899.db2.gz MVZIEXRUGHCHFZ-KBPBESRZSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)CNCCF ZINC001725710076 1184958907 /nfs/dbraw/zinc/95/89/07/1184958907.db2.gz MVZIEXRUGHCHFZ-KBPBESRZSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@H](CC[NH2+]CCO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001732729097 1185940326 /nfs/dbraw/zinc/94/03/26/1185940326.db2.gz RUJOVIMRWQLIHH-IUODEOHRSA-N 1 3 303.422 0.676 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732774733 1185961174 /nfs/dbraw/zinc/96/11/74/1185961174.db2.gz KBADWFKQIWBNND-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732774733 1185961181 /nfs/dbraw/zinc/96/11/81/1185961181.db2.gz KBADWFKQIWBNND-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCC[NH2+]CC(=O)N(C)CC1CC1)C(=O)[C@@H]1CCCN1C ZINC001733092926 1186134614 /nfs/dbraw/zinc/13/46/14/1186134614.db2.gz SGQHVDLXCVAUKV-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1ccc(CNCC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001733675919 1186396971 /nfs/dbraw/zinc/39/69/71/1186396971.db2.gz DSXHDMNYSRLSGA-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNCC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001733675919 1186396976 /nfs/dbraw/zinc/39/69/76/1186396976.db2.gz DSXHDMNYSRLSGA-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001733735777 1186421736 /nfs/dbraw/zinc/42/17/36/1186421736.db2.gz SVUHUPRDOTXAIA-KBPBESRZSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001733735777 1186421739 /nfs/dbraw/zinc/42/17/39/1186421739.db2.gz SVUHUPRDOTXAIA-KBPBESRZSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)CCOCCO)CC1 ZINC001734273325 1186599649 /nfs/dbraw/zinc/59/96/49/1186599649.db2.gz KMDPSBHNXJXHSD-UHFFFAOYSA-N 1 3 315.458 0.258 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)CCOCCO)CC1 ZINC001734273325 1186599653 /nfs/dbraw/zinc/59/96/53/1186599653.db2.gz KMDPSBHNXJXHSD-UHFFFAOYSA-N 1 3 315.458 0.258 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)CCCC[NH+](C)C ZINC001734431399 1186651928 /nfs/dbraw/zinc/65/19/28/1186651928.db2.gz ZRATYFIVZZVTDB-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001736764711 1187094571 /nfs/dbraw/zinc/09/45/71/1187094571.db2.gz RPARBFCQTDDZJP-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001736764711 1187094575 /nfs/dbraw/zinc/09/45/75/1187094575.db2.gz RPARBFCQTDDZJP-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001738544789 1187589403 /nfs/dbraw/zinc/58/94/03/1187589403.db2.gz IQHMQMAXYNMJCD-SNAWJCMRSA-N 1 3 322.453 0.213 20 0 DCADHO CN(CCCNC(=O)CCC[NH+]1CCCC1)[C@H]1CCCNC1=O ZINC001752120793 1188393060 /nfs/dbraw/zinc/39/30/60/1188393060.db2.gz CAKZYNLYMCMWBD-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)C(N)=O ZINC001752204229 1188402036 /nfs/dbraw/zinc/40/20/36/1188402036.db2.gz FZAZRQCSUIPNIH-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001754000299 1188708033 /nfs/dbraw/zinc/70/80/33/1188708033.db2.gz XUJFYNOAMNVLDY-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001754395501 1188843688 /nfs/dbraw/zinc/84/36/88/1188843688.db2.gz GGAMDXUBCZGTFU-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001772222280 1190633849 /nfs/dbraw/zinc/63/38/49/1190633849.db2.gz FJOCGYFGDKKAAF-BXUZGUMPSA-N 1 3 318.421 0.969 20 0 DCADHO [NH3+][C@@H]1CCCn2nc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cc21 ZINC001772222432 1190634223 /nfs/dbraw/zinc/63/42/23/1190634223.db2.gz MADNBHWDZHOFHH-FRRDWIJNSA-N 1 3 319.409 0.270 20 0 DCADHO COC1CCN(CCNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001772226357 1190635596 /nfs/dbraw/zinc/63/55/96/1190635596.db2.gz OSABDPPLHMHKEA-MRXNPFEDSA-N 1 3 324.425 0.112 20 0 DCADHO [NH3+]C[C@@H](O)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001772251262 1190643480 /nfs/dbraw/zinc/64/34/80/1190643480.db2.gz AMLNTNYBSRJYFN-MRXNPFEDSA-N 1 3 320.437 0.025 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@H]3CCCCN3CCO)[C@H]2C1 ZINC001772437467 1190683948 /nfs/dbraw/zinc/68/39/48/1190683948.db2.gz VLXDSMXOBCKOON-FZKCQIBNSA-N 1 3 324.469 0.473 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@H]3CCCCN3CCO)[C@H]2C1 ZINC001772437467 1190683949 /nfs/dbraw/zinc/68/39/49/1190683949.db2.gz VLXDSMXOBCKOON-FZKCQIBNSA-N 1 3 324.469 0.473 20 0 DCADHO CC(C)(C)OC(=O)N1CCC(CNC[C@@]2(O)CC[NH2+]C2)CC1 ZINC001575183392 1163932514 /nfs/dbraw/zinc/93/25/14/1163932514.db2.gz HUNJTQWVRUYMEV-MRXNPFEDSA-N 1 3 313.442 0.948 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC2(CC1)CNCCO2 ZINC001575689190 1164106091 /nfs/dbraw/zinc/10/60/91/1164106091.db2.gz MLFZKSSIBDLWLS-AWEZNQCLSA-N 1 3 312.458 0.879 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC2(CC1)CNCCO2 ZINC001575689190 1164106098 /nfs/dbraw/zinc/10/60/98/1164106098.db2.gz MLFZKSSIBDLWLS-AWEZNQCLSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H](CC(=O)N[C@@H](CO)CN1CCCCC1)C1CC[NH2+]CC1 ZINC001575924289 1164186497 /nfs/dbraw/zinc/18/64/97/1164186497.db2.gz WNOQGYJZVJQARK-GDBMZVCRSA-N 1 3 311.470 0.975 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466499 751406355 /nfs/dbraw/zinc/40/63/55/751406355.db2.gz PIKBTZLKLMABBC-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@]2(C)C[C@@H]([NH3+])CCO2)CC1 ZINC001578533195 1165048646 /nfs/dbraw/zinc/04/86/46/1165048646.db2.gz AURSNKLBWDTQHM-GOEBONIOSA-N 1 3 312.458 0.027 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCO)CC[N@@H+]1C ZINC001089643280 751502489 /nfs/dbraw/zinc/50/24/89/751502489.db2.gz VAUGTULNPUCLFO-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2CCO)CC[N@H+]1C ZINC001089643280 751502491 /nfs/dbraw/zinc/50/24/91/751502491.db2.gz VAUGTULNPUCLFO-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)CN2CCO)CC1 ZINC001089690548 751523749 /nfs/dbraw/zinc/52/37/49/751523749.db2.gz SFICXMMCMUBUKE-HNNXBMFYSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1 ZINC001107042354 751787206 /nfs/dbraw/zinc/78/72/06/751787206.db2.gz JBCXCKRMVGNRAU-HUUCEWRRSA-N 1 3 322.457 0.302 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC001238878404 752045194 /nfs/dbraw/zinc/04/51/94/752045194.db2.gz FGDOTFXFHRPWFP-UHFFFAOYSA-N 1 3 303.403 0.574 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779650 752065652 /nfs/dbraw/zinc/06/56/52/752065652.db2.gz PGWIWPWTLNMMMU-GJZGRUSLSA-N 1 3 304.394 0.151 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779650 752065660 /nfs/dbraw/zinc/06/56/60/752065660.db2.gz PGWIWPWTLNMMMU-GJZGRUSLSA-N 1 3 304.394 0.151 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001167260676 747044184 /nfs/dbraw/zinc/04/41/84/747044184.db2.gz DJXXJYRXANNCAO-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001100443308 747052831 /nfs/dbraw/zinc/05/28/31/747052831.db2.gz ABXYWHHOWZAQOO-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001210811532 747138577 /nfs/dbraw/zinc/13/85/77/747138577.db2.gz PEQJSPGRFHNZGY-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@@H](O)COC)CC1 ZINC001167480830 747277361 /nfs/dbraw/zinc/27/73/61/747277361.db2.gz SKIYUWVYFIBRFJ-CQSZACIVSA-N 1 3 315.458 0.212 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001067462561 747537667 /nfs/dbraw/zinc/53/76/67/747537667.db2.gz LXEYYYJIYPZWNV-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001067462561 747537673 /nfs/dbraw/zinc/53/76/73/747537673.db2.gz LXEYYYJIYPZWNV-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001087259231 747572538 /nfs/dbraw/zinc/57/25/38/747572538.db2.gz FVOZQLULCYYUEG-YPMHNXCESA-N 1 3 321.425 0.494 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001087259231 747572544 /nfs/dbraw/zinc/57/25/44/747572544.db2.gz FVOZQLULCYYUEG-YPMHNXCESA-N 1 3 321.425 0.494 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001112009518 747811283 /nfs/dbraw/zinc/81/12/83/747811283.db2.gz HANBBKOTKSJYAW-ZQIUZPCESA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H]1CCNC1=O)C2 ZINC001112009518 747811285 /nfs/dbraw/zinc/81/12/85/747811285.db2.gz HANBBKOTKSJYAW-ZQIUZPCESA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001077665234 752253102 /nfs/dbraw/zinc/25/31/02/752253102.db2.gz JHJOYZQLLHZRMX-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001077665234 752253103 /nfs/dbraw/zinc/25/31/03/752253103.db2.gz JHJOYZQLLHZRMX-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112529891 748318580 /nfs/dbraw/zinc/31/85/80/748318580.db2.gz UESUNRBPJPQUQY-ZOBUZTSGSA-N 1 3 309.454 0.681 20 0 DCADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372481 748639054 /nfs/dbraw/zinc/63/90/54/748639054.db2.gz JPEVHRILCVWQTA-CYBMUJFWSA-N 1 3 320.441 0.359 20 0 DCADHO CC(C)CNCc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372481 748639060 /nfs/dbraw/zinc/63/90/60/748639060.db2.gz JPEVHRILCVWQTA-CYBMUJFWSA-N 1 3 320.441 0.359 20 0 DCADHO C[NH+](C)CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)CC1 ZINC001112154648 748876458 /nfs/dbraw/zinc/87/64/58/748876458.db2.gz WCZPIDLVNDTXIR-GHMZBOCLSA-N 1 3 323.359 0.299 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320653 749915779 /nfs/dbraw/zinc/91/57/79/749915779.db2.gz INAGVSINWGKYAH-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]Cc2cnnn2C)CC1 ZINC001168320609 749916086 /nfs/dbraw/zinc/91/60/86/749916086.db2.gz GKRVOMOLNOOIHY-UHFFFAOYSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077282251 750315810 /nfs/dbraw/zinc/31/58/10/750315810.db2.gz RGJBWLFDLJVRLK-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077282251 750315817 /nfs/dbraw/zinc/31/58/17/750315817.db2.gz RGJBWLFDLJVRLK-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1O ZINC001077282251 750315820 /nfs/dbraw/zinc/31/58/20/750315820.db2.gz RGJBWLFDLJVRLK-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001077282251 750315827 /nfs/dbraw/zinc/31/58/27/750315827.db2.gz RGJBWLFDLJVRLK-OWCLPIDISA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255332 750936685 /nfs/dbraw/zinc/93/66/85/750936685.db2.gz IQNIKNFFCYAFLT-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255332 750936688 /nfs/dbraw/zinc/93/66/88/750936688.db2.gz IQNIKNFFCYAFLT-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1)N(C)C ZINC001106312367 751106596 /nfs/dbraw/zinc/10/65/96/751106596.db2.gz DKADCQYGJGDQRG-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@@H]1CN(CCCF)C[C@H]1O ZINC001078017982 752984704 /nfs/dbraw/zinc/98/47/04/752984704.db2.gz IFFNIIADADTEDO-TZMCWYRMSA-N 1 3 310.373 0.282 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078017982 752984707 /nfs/dbraw/zinc/98/47/07/752984707.db2.gz IFFNIIADADTEDO-TZMCWYRMSA-N 1 3 310.373 0.282 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078017982 752984711 /nfs/dbraw/zinc/98/47/11/752984711.db2.gz IFFNIIADADTEDO-TZMCWYRMSA-N 1 3 310.373 0.282 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C)C1CC1 ZINC001045067502 753030028 /nfs/dbraw/zinc/03/00/28/753030028.db2.gz NPRDMAASMIWGHA-HOCLYGCPSA-N 1 3 319.453 0.841 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064245 753456873 /nfs/dbraw/zinc/45/68/73/753456873.db2.gz IPNPRFYJNCKTPH-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046064245 753456882 /nfs/dbraw/zinc/45/68/82/753456882.db2.gz IPNPRFYJNCKTPH-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046066903 753459914 /nfs/dbraw/zinc/45/99/14/753459914.db2.gz RRZUDCSPLBFSLM-INIZCTEOSA-N 1 3 317.437 0.581 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046066903 753459920 /nfs/dbraw/zinc/45/99/20/753459920.db2.gz RRZUDCSPLBFSLM-INIZCTEOSA-N 1 3 317.437 0.581 20 0 DCADHO CNCc1cc(-n2nc(-c3ccccc3)nc2CC[NH3+])ncn1 ZINC001168708890 753693741 /nfs/dbraw/zinc/69/37/41/753693741.db2.gz SXBOFVPSLSLZMJ-UHFFFAOYSA-N 1 3 309.377 0.945 20 0 DCADHO CCCC[C@@H]([NH2+]CCNC(=O)[C@H](F)CN(CC)CC)C(N)=O ZINC001128545123 754068513 /nfs/dbraw/zinc/06/85/13/754068513.db2.gz UOQRRGUVBFTXJC-CHWSQXEVSA-N 1 3 318.437 0.416 20 0 DCADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047424352 754269302 /nfs/dbraw/zinc/26/93/02/754269302.db2.gz IBJAOXRUFIABRU-HOTGVXAUSA-N 1 3 321.465 0.776 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1cn(C)nc1C ZINC001128773871 754270245 /nfs/dbraw/zinc/27/02/45/754270245.db2.gz HEOKZFKGZGZPJG-OAHLLOKOSA-N 1 3 307.442 0.809 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCc1cn(C)nc1C ZINC001128773871 754270248 /nfs/dbraw/zinc/27/02/48/754270248.db2.gz HEOKZFKGZGZPJG-OAHLLOKOSA-N 1 3 307.442 0.809 20 0 DCADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048589490 754815426 /nfs/dbraw/zinc/81/54/26/754815426.db2.gz JWPJFBOTMWIORS-NIFZNCRKSA-N 1 3 322.453 0.171 20 0 DCADHO C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001048589490 754815431 /nfs/dbraw/zinc/81/54/31/754815431.db2.gz JWPJFBOTMWIORS-NIFZNCRKSA-N 1 3 322.453 0.171 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001049082189 755107625 /nfs/dbraw/zinc/10/76/25/755107625.db2.gz FYPGRKXJBOHAMB-MCIONIFRSA-N 1 3 304.394 0.379 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001049082189 755107628 /nfs/dbraw/zinc/10/76/28/755107628.db2.gz FYPGRKXJBOHAMB-MCIONIFRSA-N 1 3 304.394 0.379 20 0 DCADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453893 755704798 /nfs/dbraw/zinc/70/47/98/755704798.db2.gz AZWDQSKZHFSQTK-JJXSEGSLSA-N 1 3 309.454 0.965 20 0 DCADHO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080383241 756185008 /nfs/dbraw/zinc/18/50/08/756185008.db2.gz VWYWAYHJOHQJHZ-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080444893 756216021 /nfs/dbraw/zinc/21/60/21/756216021.db2.gz YDIBVWCJRIPTBD-UHFFFAOYSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001080624361 756267172 /nfs/dbraw/zinc/26/71/72/756267172.db2.gz XSYZAXSPZZOWAN-CZUORRHYSA-N 1 3 305.422 0.791 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001054297849 756427952 /nfs/dbraw/zinc/42/79/52/756427952.db2.gz KHKFPIKYNKJFRU-MGPQQGTHSA-N 1 3 312.458 0.417 20 0 DCADHO CO[C@@H]1CN(CC[C@H](C)F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082329044 757038734 /nfs/dbraw/zinc/03/87/34/757038734.db2.gz YGOJPDFUHMVOEJ-BFHYXJOUSA-N 1 3 313.417 0.646 20 0 DCADHO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCNCc2ncccn2)C1 ZINC001164538968 757098875 /nfs/dbraw/zinc/09/88/75/757098875.db2.gz QLUAFFBPYMBPTP-AWEZNQCLSA-N 1 3 321.425 0.182 20 0 DCADHO CC(C)[N@H+]1CCO[C@H](C(=O)NCCCNCc2ncccn2)C1 ZINC001164538968 757098883 /nfs/dbraw/zinc/09/88/83/757098883.db2.gz QLUAFFBPYMBPTP-AWEZNQCLSA-N 1 3 321.425 0.182 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001082557531 757184693 /nfs/dbraw/zinc/18/46/93/757184693.db2.gz LHMZHHWNHQGLOM-RBSFLKMASA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001082557518 757184727 /nfs/dbraw/zinc/18/47/27/757184727.db2.gz KAIHTKFPOBCXKX-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001082561652 757187573 /nfs/dbraw/zinc/18/75/73/757187573.db2.gz HYRKBZHQJQYVDV-IIAWOOMASA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001082742697 757253316 /nfs/dbraw/zinc/25/33/16/757253316.db2.gz PBKPNERMTUTMTN-RBSFLKMASA-N 1 3 320.441 0.056 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001082742069 757253527 /nfs/dbraw/zinc/25/35/27/757253527.db2.gz PWWRJVCXKUOFIY-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO O=C(N[C@@H]1CCN(CCCF)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090394062 757392873 /nfs/dbraw/zinc/39/28/73/757392873.db2.gz SKKXRGMJVJCJNA-ZIAGYGMSSA-N 1 3 313.417 0.526 20 0 DCADHO CN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050235795 757525000 /nfs/dbraw/zinc/52/50/00/757525000.db2.gz MDSFSHAVMCXZEB-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[NH+](CCO)CC3)C1 ZINC001050660924 757940357 /nfs/dbraw/zinc/94/03/57/757940357.db2.gz IEPUAWWPGOAIGN-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001050669327 757949100 /nfs/dbraw/zinc/94/91/00/757949100.db2.gz WZBPQWGCEQSYPT-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO COC(=O)Cc1cc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])ccn1 ZINC001170281616 762600995 /nfs/dbraw/zinc/60/09/95/762600995.db2.gz GKLHMCUEDHDMLU-FMKPAKJESA-N 1 3 323.393 0.934 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107119 759184226 /nfs/dbraw/zinc/18/42/26/759184226.db2.gz BHSJTCBPCMWIIA-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107119 759184232 /nfs/dbraw/zinc/18/42/32/759184232.db2.gz BHSJTCBPCMWIIA-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001147900175 767877717 /nfs/dbraw/zinc/87/77/17/767877717.db2.gz JAOXMTKQTZFRAU-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001147900175 767877723 /nfs/dbraw/zinc/87/77/23/767877723.db2.gz JAOXMTKQTZFRAU-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO COc1cc(CNCCNC(=O)C23CC[NH+](CC2)C3)ccn1 ZINC001147971262 767889418 /nfs/dbraw/zinc/88/94/18/767889418.db2.gz YHHWSTPOCPXJOK-UHFFFAOYSA-N 1 3 304.394 0.392 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086216894 759856683 /nfs/dbraw/zinc/85/66/83/759856683.db2.gz FOZBBUBALPZFJH-BYNSBNAKSA-N 1 3 324.469 0.608 20 0 DCADHO Cc1nnsc1C[NH2+]CCNC(=O)c1cnccc1N(C)C ZINC001148051181 767905308 /nfs/dbraw/zinc/90/53/08/767905308.db2.gz BCHCBXNRNZISIS-UHFFFAOYSA-N 1 3 320.422 0.827 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329519 760044875 /nfs/dbraw/zinc/04/48/75/760044875.db2.gz XRHFFKSCMRIIEP-AWEZNQCLSA-N 1 3 312.458 0.196 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329519 760044886 /nfs/dbraw/zinc/04/48/86/760044886.db2.gz XRHFFKSCMRIIEP-AWEZNQCLSA-N 1 3 312.458 0.196 20 0 DCADHO CC(C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086432315 760182792 /nfs/dbraw/zinc/18/27/92/760182792.db2.gz RBPITDAHCGGDJP-MLURZJSDSA-N 1 3 307.438 0.742 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(O)O)C2 ZINC001169108926 760594509 /nfs/dbraw/zinc/59/45/09/760594509.db2.gz WIDXKMDWXAKSCD-FQLMCAECSA-N 1 3 306.406 0.829 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC001148469864 767992390 /nfs/dbraw/zinc/99/23/90/767992390.db2.gz YFGATWXQTBZCRI-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC001148469864 767992394 /nfs/dbraw/zinc/99/23/94/767992394.db2.gz YFGATWXQTBZCRI-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001129363033 761044822 /nfs/dbraw/zinc/04/48/22/761044822.db2.gz DMLYMMBRQAMAQU-ZDUSSCGKSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCOCC(F)(F)F)CCC1 ZINC001129381239 761236007 /nfs/dbraw/zinc/23/60/07/761236007.db2.gz RUPKAHOOSFHZRU-UHFFFAOYSA-N 1 3 311.348 0.755 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001148655067 768024627 /nfs/dbraw/zinc/02/46/27/768024627.db2.gz HHYKHPCQVQGPSA-AWEZNQCLSA-N 1 3 303.447 0.068 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)CCC ZINC001148656170 768025390 /nfs/dbraw/zinc/02/53/90/768025390.db2.gz XMVVWKQDLQDCSG-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740695 768025895 /nfs/dbraw/zinc/02/58/95/768025895.db2.gz CPOIJWCVASJJMP-PBHICJAKSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091740695 768025898 /nfs/dbraw/zinc/02/58/98/768025898.db2.gz CPOIJWCVASJJMP-PBHICJAKSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC001148844526 768042461 /nfs/dbraw/zinc/04/24/61/768042461.db2.gz PKJYWFQYMWQPBA-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC001148844526 768042466 /nfs/dbraw/zinc/04/24/66/768042466.db2.gz PKJYWFQYMWQPBA-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086874683 768083950 /nfs/dbraw/zinc/08/39/50/768083950.db2.gz NTCSFJZAPCVQEU-SOUVJXGZSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccnc1CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086874683 768083956 /nfs/dbraw/zinc/08/39/56/768083956.db2.gz NTCSFJZAPCVQEU-SOUVJXGZSA-N 1 3 319.453 0.746 20 0 DCADHO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262614 762908060 /nfs/dbraw/zinc/90/80/60/762908060.db2.gz HEQPXNBKKAVMLC-QXSJWSMHSA-N 1 3 309.454 0.942 20 0 DCADHO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262614 762908065 /nfs/dbraw/zinc/90/80/65/762908065.db2.gz HEQPXNBKKAVMLC-QXSJWSMHSA-N 1 3 309.454 0.942 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114263449 762909104 /nfs/dbraw/zinc/90/91/04/762909104.db2.gz VQKDXEYMMTZJDE-XUWVNRHRSA-N 1 3 309.454 0.942 20 0 DCADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114263449 762909111 /nfs/dbraw/zinc/90/91/11/762909111.db2.gz VQKDXEYMMTZJDE-XUWVNRHRSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001129421608 762934275 /nfs/dbraw/zinc/93/42/75/762934275.db2.gz ARMQSWHKMZVHIX-HIFRSBDPSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001129421608 762934278 /nfs/dbraw/zinc/93/42/78/762934278.db2.gz ARMQSWHKMZVHIX-HIFRSBDPSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535504 762961037 /nfs/dbraw/zinc/96/10/37/762961037.db2.gz VITRFHXCFYXESS-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001129841840 763021330 /nfs/dbraw/zinc/02/13/30/763021330.db2.gz PUZOMHBGMCRXIA-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129841840 763021334 /nfs/dbraw/zinc/02/13/34/763021334.db2.gz PUZOMHBGMCRXIA-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1nccc1CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170376 763160117 /nfs/dbraw/zinc/16/01/17/763160117.db2.gz YCQIZRVEKISLPI-UHFFFAOYSA-N 1 3 305.426 0.502 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170006 763160201 /nfs/dbraw/zinc/16/02/01/763160201.db2.gz MYPRSMZXIOYZBV-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO C[C@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)NC1CC1 ZINC001130173255 763162076 /nfs/dbraw/zinc/16/20/76/763162076.db2.gz DVDKHNKWFHCRAT-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173872 763164573 /nfs/dbraw/zinc/16/45/73/763164573.db2.gz RZMPZRZQVMANNQ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(CC)CC)N(C)C ZINC001130200618 763184958 /nfs/dbraw/zinc/18/49/58/763184958.db2.gz LQTKZJLBFZAOHA-CHWSQXEVSA-N 1 3 300.447 0.289 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc2nonc2c1)N(C)C ZINC001130202987 763185899 /nfs/dbraw/zinc/18/58/99/763185899.db2.gz DDUUGOFWMCMTQH-CQSZACIVSA-N 1 3 305.382 0.769 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421803 763294660 /nfs/dbraw/zinc/29/46/60/763294660.db2.gz JWIPSOAGPVJAJC-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421803 763294669 /nfs/dbraw/zinc/29/46/69/763294669.db2.gz JWIPSOAGPVJAJC-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CCCC[C@@H](NCCNC(=O)C(C)(C)[N@H+](C)CC)C(N)=O ZINC001130426872 763298102 /nfs/dbraw/zinc/29/81/02/763298102.db2.gz FNMVHULZMJLTDY-GFCCVEGCSA-N 1 3 300.447 0.467 20 0 DCADHO CCCC[C@@H](NCCNC(=O)C(C)(C)[N@@H+](C)CC)C(N)=O ZINC001130426872 763298108 /nfs/dbraw/zinc/29/81/08/763298108.db2.gz FNMVHULZMJLTDY-GFCCVEGCSA-N 1 3 300.447 0.467 20 0 DCADHO CCCC[C@H](NCCNC(=O)C(C)(C)[N@H+](C)CC)C(N)=O ZINC001130426873 763298351 /nfs/dbraw/zinc/29/83/51/763298351.db2.gz FNMVHULZMJLTDY-LBPRGKRZSA-N 1 3 300.447 0.467 20 0 DCADHO CCCC[C@H](NCCNC(=O)C(C)(C)[N@@H+](C)CC)C(N)=O ZINC001130426873 763298358 /nfs/dbraw/zinc/29/83/58/763298358.db2.gz FNMVHULZMJLTDY-LBPRGKRZSA-N 1 3 300.447 0.467 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+]CCn2cncn2)C1)C1CCC1 ZINC001100411879 763561918 /nfs/dbraw/zinc/56/19/18/763561918.db2.gz YCIKFHWLBREWCA-UHFFFAOYSA-N 1 3 320.441 0.247 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCn2cccn2)C1)N(C)C ZINC001100426432 763571360 /nfs/dbraw/zinc/57/13/60/763571360.db2.gz IBZSLRPVNIPJBR-GPANFISMSA-N 1 3 321.469 0.954 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCn2cncn2)C1)N(C)C ZINC001100427773 763572360 /nfs/dbraw/zinc/57/23/60/763572360.db2.gz HLHBFUGUJBTUEO-NRXISQOPSA-N 1 3 322.457 0.349 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100442644 763581626 /nfs/dbraw/zinc/58/16/26/763581626.db2.gz PHFJNRDQFFMWSW-JXQTWKCFSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CCOCCOC)C1)N(C)C ZINC001100442508 763581851 /nfs/dbraw/zinc/58/18/51/763581851.db2.gz KHNNIFFTOLXBNO-YMAMQOFZSA-N 1 3 315.458 0.474 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131091649 763640599 /nfs/dbraw/zinc/64/05/99/763640599.db2.gz NUYLQGFQKUHVNJ-ZIAGYGMSSA-N 1 3 307.442 0.666 20 0 DCADHO C[C@H](Nc1nc(Cl)nc2c1CC[NH2+]CC2)[C@@H]1CNCCO1 ZINC001170563900 763841253 /nfs/dbraw/zinc/84/12/53/763841253.db2.gz OCYKVISCUBMRSH-CABZTGNLSA-N 1 3 311.817 0.607 20 0 DCADHO O=C(NCC[NH2+]Cc1ccccc1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519270 763841979 /nfs/dbraw/zinc/84/19/79/763841979.db2.gz BVRLVLUGYZJSQL-PQUAAJSLSA-N 1 3 315.417 0.756 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001100905072 763850494 /nfs/dbraw/zinc/85/04/94/763850494.db2.gz VFTZSKFVEHUJPB-DNOWBOINSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131819017 764053612 /nfs/dbraw/zinc/05/36/12/764053612.db2.gz IVWYKSNSNHLTNV-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131819017 764053625 /nfs/dbraw/zinc/05/36/25/764053625.db2.gz IVWYKSNSNHLTNV-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001132737483 764614290 /nfs/dbraw/zinc/61/42/90/764614290.db2.gz NKSUTYYUDOQRSL-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001132737483 764614286 /nfs/dbraw/zinc/61/42/86/764614286.db2.gz NKSUTYYUDOQRSL-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO CC[C@H](NCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(N)=O ZINC001132795765 764654940 /nfs/dbraw/zinc/65/49/40/764654940.db2.gz XSAKDPMQFOYBFJ-LSDHHAIUSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@H](NCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(N)=O ZINC001132795765 764654943 /nfs/dbraw/zinc/65/49/43/764654943.db2.gz XSAKDPMQFOYBFJ-LSDHHAIUSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102577851 764709531 /nfs/dbraw/zinc/70/95/31/764709531.db2.gz AAQVQZLKCAXEIY-QLFBSQMISA-N 1 3 324.469 0.147 20 0 DCADHO CC(C)NC(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102577851 764709536 /nfs/dbraw/zinc/70/95/36/764709536.db2.gz AAQVQZLKCAXEIY-QLFBSQMISA-N 1 3 324.469 0.147 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001132995256 764784141 /nfs/dbraw/zinc/78/41/41/764784141.db2.gz PLORZBSXXIPHSJ-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001133048189 764807234 /nfs/dbraw/zinc/80/72/34/764807234.db2.gz MOVPFHIDNXWOQL-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1ccn(C)n1 ZINC001133091728 764823298 /nfs/dbraw/zinc/82/32/98/764823298.db2.gz UWJBTMGWJKQNHC-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CC[NH+](C)C)c1ccco1 ZINC001133291434 764910112 /nfs/dbraw/zinc/91/01/12/764910112.db2.gz PPYFWPPVYVHGTK-GFCCVEGCSA-N 1 3 310.398 0.114 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103060529 764929414 /nfs/dbraw/zinc/92/94/14/764929414.db2.gz QXJHFQZRNAMCPL-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103060529 764929421 /nfs/dbraw/zinc/92/94/21/764929421.db2.gz QXJHFQZRNAMCPL-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1CCC(C)CC1 ZINC001103571082 765087900 /nfs/dbraw/zinc/08/79/00/765087900.db2.gz VGPILFMNSIGHOB-HUUCEWRRSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CN1CCC(C)CC1 ZINC001103571082 765087910 /nfs/dbraw/zinc/08/79/10/765087910.db2.gz VGPILFMNSIGHOB-HUUCEWRRSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001133823448 765152302 /nfs/dbraw/zinc/15/23/02/765152302.db2.gz GNYJBABIAIHERM-CABCVRRESA-N 1 3 313.442 0.372 20 0 DCADHO CO[C@H](C)C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856835 765183290 /nfs/dbraw/zinc/18/32/90/765183290.db2.gz SHOLMGVJNMJYTI-DOMZBBRYSA-N 1 3 303.422 0.940 20 0 DCADHO COc1cc(CNCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccn1 ZINC001133867195 765192987 /nfs/dbraw/zinc/19/29/87/765192987.db2.gz RLZOUJNFUMANRS-JSGCOSHPSA-N 1 3 306.410 0.494 20 0 DCADHO COc1cc(CNCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ccn1 ZINC001133867195 765192989 /nfs/dbraw/zinc/19/29/89/765192989.db2.gz RLZOUJNFUMANRS-JSGCOSHPSA-N 1 3 306.410 0.494 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@H]2C[C@@]23CCOC3)C1 ZINC001133896081 765213557 /nfs/dbraw/zinc/21/35/57/765213557.db2.gz CAKLSNBJRPNXCW-RHSMWYFYSA-N 1 3 309.454 0.851 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001103999889 765229831 /nfs/dbraw/zinc/22/98/31/765229831.db2.gz OENFMMPPMPMQBD-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001103999829 765230110 /nfs/dbraw/zinc/23/01/10/765230110.db2.gz MIPOBHQAONYEGB-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1)N(C)C ZINC001133967857 765260498 /nfs/dbraw/zinc/26/04/98/765260498.db2.gz GDERWULXVRPDNA-GJZGRUSLSA-N 1 3 311.401 0.905 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112439284 765534104 /nfs/dbraw/zinc/53/41/04/765534104.db2.gz REQJALQBXRHSFR-GUYCJALGSA-N 1 3 324.469 0.420 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001115081479 765582536 /nfs/dbraw/zinc/58/25/36/765582536.db2.gz RUHUVZNCDYIBIQ-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001115081479 765582543 /nfs/dbraw/zinc/58/25/43/765582543.db2.gz RUHUVZNCDYIBIQ-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@@H](C(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+]1CCCCCC1 ZINC001134756255 765668020 /nfs/dbraw/zinc/66/80/20/765668020.db2.gz BKCHTHOYHKMTOR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C(N)=O ZINC001135474363 765939908 /nfs/dbraw/zinc/93/99/08/765939908.db2.gz OBKCCCCAAQBWEL-QWHCGFSZSA-N 1 3 300.447 0.323 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1 ZINC001135508348 765953214 /nfs/dbraw/zinc/95/32/14/765953214.db2.gz MAQLNTSFZLLNAH-UHFFFAOYSA-N 1 3 307.442 0.695 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135513019 765966277 /nfs/dbraw/zinc/96/62/77/765966277.db2.gz DBBJJWRXIQMJAK-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135743087 766085690 /nfs/dbraw/zinc/08/56/90/766085690.db2.gz DUCRLYVYHVVEDY-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2c(c1)COC21CNC1 ZINC001170874947 766186590 /nfs/dbraw/zinc/18/65/90/766186590.db2.gz PUKROPIHGRRJCN-UKRRQHHQSA-N 1 3 317.389 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCOC ZINC001135980765 766193642 /nfs/dbraw/zinc/19/36/42/766193642.db2.gz SDYBGPGLAPZOCI-LSDHHAIUSA-N 1 3 317.474 0.864 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001135980522 766193861 /nfs/dbraw/zinc/19/38/61/766193861.db2.gz PKFMLPVUMMMQHL-KGLIPLIRSA-N 1 3 310.446 0.493 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cn1 ZINC001159997059 766336419 /nfs/dbraw/zinc/33/64/19/766336419.db2.gz DMIWQTVZYMQXKM-UHFFFAOYSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001119353348 766642007 /nfs/dbraw/zinc/64/20/07/766642007.db2.gz ZOJINVNWKIEOFH-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001119355334 766643222 /nfs/dbraw/zinc/64/32/22/766643222.db2.gz SPEBECUDASOBBB-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO CN(CC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(N)=[NH2+] ZINC001144141971 766813533 /nfs/dbraw/zinc/81/35/33/766813533.db2.gz FUELWRGJDMXJOP-CQSZACIVSA-N 1 3 303.410 0.765 20 0 DCADHO COc1ccnc(CNCCCNC(=O)COCC[NH+](C)C)c1 ZINC001171198140 766969883 /nfs/dbraw/zinc/96/98/83/766969883.db2.gz LLVMDTGHPDPCRV-UHFFFAOYSA-N 1 3 324.425 0.264 20 0 DCADHO Cc1nnsc1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091365272 767213952 /nfs/dbraw/zinc/21/39/52/767213952.db2.gz UWBGHOIEYQAXON-OTTFEQOBSA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091365272 767213955 /nfs/dbraw/zinc/21/39/55/767213955.db2.gz UWBGHOIEYQAXON-OTTFEQOBSA-N 1 3 323.466 0.783 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001171254815 767302289 /nfs/dbraw/zinc/30/22/89/767302289.db2.gz UPDGEEZOTNWFJY-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(=O)N(C)C2CC2)CC1 ZINC001146356185 767441080 /nfs/dbraw/zinc/44/10/80/767441080.db2.gz OBABRWWDHYEJQK-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)O)C2)N(C)C ZINC001121267031 767488369 /nfs/dbraw/zinc/48/83/69/767488369.db2.gz AELQFWNVCAYCSB-PHUJGXCVSA-N 1 3 311.470 0.970 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001146709686 767508417 /nfs/dbraw/zinc/50/84/17/767508417.db2.gz BAQOLKXXRCWNCJ-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001146709686 767508418 /nfs/dbraw/zinc/50/84/18/767508418.db2.gz BAQOLKXXRCWNCJ-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711525 767509414 /nfs/dbraw/zinc/50/94/14/767509414.db2.gz UPVXPDSOSXWVGD-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711525 767509419 /nfs/dbraw/zinc/50/94/19/767509419.db2.gz UPVXPDSOSXWVGD-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146711794 767509666 /nfs/dbraw/zinc/50/96/66/767509666.db2.gz XUSMOXNKIXIOBN-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146711794 767509669 /nfs/dbraw/zinc/50/96/69/767509669.db2.gz XUSMOXNKIXIOBN-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCCC(C)(C)C ZINC001146719697 767510624 /nfs/dbraw/zinc/51/06/24/767510624.db2.gz VFDYTKBKCPULOQ-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCCC(C)(C)C ZINC001146719697 767510629 /nfs/dbraw/zinc/51/06/29/767510629.db2.gz VFDYTKBKCPULOQ-UHFFFAOYSA-N 1 3 314.474 0.586 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001121767522 767633875 /nfs/dbraw/zinc/63/38/75/767633875.db2.gz GCBZYFHQHMMKEM-HOUHCIJLSA-N 1 3 309.454 0.870 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001122032939 767701662 /nfs/dbraw/zinc/70/16/62/767701662.db2.gz MVDDIOVQOKMBHV-UHFFFAOYSA-N 1 3 323.437 0.688 20 0 DCADHO O=C1CC[C@H](CN2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)N1 ZINC001202830671 768416199 /nfs/dbraw/zinc/41/61/99/768416199.db2.gz DUFKKZYCIOYCGR-IIAWOOMASA-N 1 3 300.406 0.724 20 0 DCADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937872 768427975 /nfs/dbraw/zinc/42/79/75/768427975.db2.gz YRUYJXULFZVGCA-VNHYZAJKSA-N 1 3 324.469 0.147 20 0 DCADHO CN1CCN(CCC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC001143231951 768699070 /nfs/dbraw/zinc/69/90/70/768699070.db2.gz XKFFPTDBEOKJSX-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)COC)CCCO1 ZINC001150626786 769145006 /nfs/dbraw/zinc/14/50/06/769145006.db2.gz YWDJAOVFADCBEA-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H](C)COC)CCCO1 ZINC001150626786 769145010 /nfs/dbraw/zinc/14/50/10/769145010.db2.gz YWDJAOVFADCBEA-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO Cc1ncoc1CNCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156684 769278863 /nfs/dbraw/zinc/27/88/63/769278863.db2.gz GFQOGILBAFAOID-GFCCVEGCSA-N 1 3 310.398 0.157 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001171586420 769316982 /nfs/dbraw/zinc/31/69/82/769316982.db2.gz NNICTRXPVZQAFS-STQMWFEESA-N 1 3 314.474 0.855 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CCC[NH+]2CCCCC2)C1=O ZINC001151362009 769321128 /nfs/dbraw/zinc/32/11/28/769321128.db2.gz SNQWGRJINCSEEO-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001171787182 769379300 /nfs/dbraw/zinc/37/93/00/769379300.db2.gz MLVYDXBRBUCCTI-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO C[NH+](C)CCN1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096092541 769460243 /nfs/dbraw/zinc/46/02/43/769460243.db2.gz UDNWSFNLBZYPLL-UHFFFAOYSA-N 1 3 319.453 0.606 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001152458406 769566419 /nfs/dbraw/zinc/56/64/19/769566419.db2.gz PMSBWAHZPYNIKV-ZDUSSCGKSA-N 1 3 319.471 0.001 20 0 DCADHO C[NH+](C)CC1CCN(C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CC1 ZINC001235680318 769928991 /nfs/dbraw/zinc/92/89/91/769928991.db2.gz VTJGQUCYXLNIEJ-XGUBFFRZSA-N 1 3 314.426 0.497 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cnccn3)C[C@H]1C2 ZINC001236023660 769967370 /nfs/dbraw/zinc/96/73/70/769967370.db2.gz SHKIDFRNGDSEKM-UJDVCPFMSA-N 1 3 302.378 0.307 20 0 DCADHO [NH3+]CCS(=O)(=O)[N-]c1c(F)cccc1N1CC[C@@H]([NH3+])C1 ZINC001237850426 770083837 /nfs/dbraw/zinc/08/38/37/770083837.db2.gz FELRAOYAXNFCLN-SECBINFHSA-N 1 3 302.375 0.064 20 0 DCADHO CN(CCC[NH3+])CCCNS(=O)(=O)c1ccc(N)cc1 ZINC001238614217 770119699 /nfs/dbraw/zinc/11/96/99/770119699.db2.gz KTAONMVHXWBAJR-UHFFFAOYSA-N 1 3 300.428 0.218 20 0 DCADHO C[C@H](CCCCNCc1cn(C)nn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563305 770125765 /nfs/dbraw/zinc/12/57/65/770125765.db2.gz CALMYJSFXMAAFM-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H](CCCCNCc1cn(C)nn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563305 770125770 /nfs/dbraw/zinc/12/57/70/770125770.db2.gz CALMYJSFXMAAFM-ZIAGYGMSSA-N 1 3 322.457 0.531 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCN(CC2CCC2)C1 ZINC001238808753 770131774 /nfs/dbraw/zinc/13/17/74/770131774.db2.gz UAHYXRVALQQYKC-HNNXBMFYSA-N 1 3 315.483 0.780 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)CCc1ccc(F)cc1 ZINC001238878288 770139907 /nfs/dbraw/zinc/13/99/07/770139907.db2.gz BREZJEMQSBMDDD-UHFFFAOYSA-N 1 3 317.430 0.616 20 0 DCADHO NCCS(=O)(=O)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001239068017 770172617 /nfs/dbraw/zinc/17/26/17/770172617.db2.gz AACMEAGLTDFXGR-HUUCEWRRSA-N 1 3 309.435 0.354 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001176991416 770280397 /nfs/dbraw/zinc/28/03/97/770280397.db2.gz AUFVHLAKPFNQSV-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO c1nc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc2c1CNCC2 ZINC001155592439 770558934 /nfs/dbraw/zinc/55/89/34/770558934.db2.gz PDYITVZEGOSKBJ-MLGOLLRUSA-N 1 3 303.410 0.693 20 0 DCADHO c1c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nnc2c1CNCC2 ZINC001155600438 770560683 /nfs/dbraw/zinc/56/06/83/770560683.db2.gz VNSBWBTWCHXSDU-MLGOLLRUSA-N 1 3 303.410 0.693 20 0 DCADHO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2CCCN2C)no1 ZINC001155791562 770621190 /nfs/dbraw/zinc/62/11/90/770621190.db2.gz WTRNPLJVYLBECK-GFCCVEGCSA-N 1 3 323.397 0.112 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC001178805241 770868615 /nfs/dbraw/zinc/86/86/15/770868615.db2.gz FJYGZWAYQKKUBY-ZDUSSCGKSA-N 1 3 303.366 0.965 20 0 DCADHO C[N@H+](C1CN(C(=O)c2ccc3[nH]c(N)nc3c2)C1)[C@H]1CCOC1 ZINC001156971441 770986325 /nfs/dbraw/zinc/98/63/25/770986325.db2.gz LYZGDNHIWISNJT-NSHDSACASA-N 1 3 315.377 0.690 20 0 DCADHO C[N@@H+](C1CN(C(=O)c2ccc3[nH]c(N)nc3c2)C1)[C@H]1CCOC1 ZINC001156971441 770986330 /nfs/dbraw/zinc/98/63/30/770986330.db2.gz LYZGDNHIWISNJT-NSHDSACASA-N 1 3 315.377 0.690 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(=O)N(C)C ZINC001179439172 771005001 /nfs/dbraw/zinc/00/50/01/771005001.db2.gz INMIMHPHLLPADS-IHRRRGAJSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CC(=O)NC ZINC001179846398 771023058 /nfs/dbraw/zinc/02/30/58/771023058.db2.gz FBURGLJBGNYTJP-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+][C@H](C)C(N)=O ZINC001179851185 771023730 /nfs/dbraw/zinc/02/37/30/771023730.db2.gz XOKJJWPRQGKVEV-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)[C@@H]1C ZINC001179982694 771042575 /nfs/dbraw/zinc/04/25/75/771042575.db2.gz CWTCRMHHVDFSOH-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC(C)(C)C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180123735 771065052 /nfs/dbraw/zinc/06/50/52/771065052.db2.gz AHRQLSSVZLBTBY-MJBXVCDLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC(C)(C)C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180123735 771065060 /nfs/dbraw/zinc/06/50/60/771065060.db2.gz AHRQLSSVZLBTBY-MJBXVCDLSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001180686652 771161872 /nfs/dbraw/zinc/16/18/72/771161872.db2.gz VPBJVGOJXSPWRQ-ZDUSSCGKSA-N 1 3 311.430 0.309 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181653060 771326676 /nfs/dbraw/zinc/32/66/76/771326676.db2.gz UUBPMEROEJNNSK-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182614783 771522517 /nfs/dbraw/zinc/52/25/17/771522517.db2.gz QWONPHSMFDAJSL-CKEIUWERSA-N 1 3 324.469 0.148 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)CCC1 ZINC001183229517 771622668 /nfs/dbraw/zinc/62/26/68/771622668.db2.gz LGMKKIAWRUGIHL-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001183240365 771628030 /nfs/dbraw/zinc/62/80/30/771628030.db2.gz AZCWYDNLUUTWOM-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(N1CCC(=O)[C@@H]2CCCC[C@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157566960 771634139 /nfs/dbraw/zinc/63/41/39/771634139.db2.gz HIRORIFPWZOFHR-VMUDFCTBSA-N 1 3 305.422 0.546 20 0 DCADHO C[NH2+][C@H](C(=O)N(C)C[C@@H]1CNCCO1)[C@@H](C)OC(C)(C)C ZINC001157716473 771657468 /nfs/dbraw/zinc/65/74/68/771657468.db2.gz NZAYCKJBWDLPPZ-AGIUHOORSA-N 1 3 301.431 0.225 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001157844975 771679207 /nfs/dbraw/zinc/67/92/07/771679207.db2.gz YYXJYCCAAZUOAM-FQUUOJAGSA-N 1 3 312.458 0.450 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001157891261 771687688 /nfs/dbraw/zinc/68/76/88/771687688.db2.gz WGEFZDUUNUUMLP-WCBMZHEXSA-N 1 3 317.352 0.756 20 0 DCADHO O=C(N1CC[C@@](CF)(C(F)(F)F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157891170 771687992 /nfs/dbraw/zinc/68/79/92/771687992.db2.gz VGQCEAXMFOYEAZ-KGYLQXTDSA-N 1 3 323.334 0.936 20 0 DCADHO O=C(N1CC[C@](CF)(C(F)(F)F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157891172 771688009 /nfs/dbraw/zinc/68/80/09/771688009.db2.gz VGQCEAXMFOYEAZ-RAIGVLPGSA-N 1 3 323.334 0.936 20 0 DCADHO O=C(N1CCC2(C[C@@H]2CCO)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158109423 771727022 /nfs/dbraw/zinc/72/70/22/771727022.db2.gz CAXYUUUZYTWXOD-JJRVBVJISA-N 1 3 307.438 0.197 20 0 DCADHO Cc1noc2ncnc(N3CCC([N@@H+]4CC[C@@H](N)C4)CC3)c12 ZINC001158267552 771750930 /nfs/dbraw/zinc/75/09/30/771750930.db2.gz IBBBVITUFQSVRS-LLVKDONJSA-N 1 3 302.382 0.928 20 0 DCADHO Cc1noc2ncnc(N3CCC([N@H+]4CC[C@@H](N)C4)CC3)c12 ZINC001158267552 771750932 /nfs/dbraw/zinc/75/09/32/771750932.db2.gz IBBBVITUFQSVRS-LLVKDONJSA-N 1 3 302.382 0.928 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319837 771758842 /nfs/dbraw/zinc/75/88/42/771758842.db2.gz NMWWWZCRYHUIOC-UONOGXRCSA-N 1 3 302.378 0.092 20 0 DCADHO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H](C)N)C2 ZINC001158468409 771779897 /nfs/dbraw/zinc/77/98/97/771779897.db2.gz PFLMSFSNZNBJIL-IIYDPXPESA-N 1 3 323.437 0.505 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551374 771803748 /nfs/dbraw/zinc/80/37/48/771803748.db2.gz LSHIANFCCSDJDE-ZBFHGGJFSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]Cc1ccnn1C ZINC001159155699 771867043 /nfs/dbraw/zinc/86/70/43/771867043.db2.gz SUJAAVXKOKXNSH-AWEZNQCLSA-N 1 3 313.421 0.696 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CCO ZINC001185169755 771872232 /nfs/dbraw/zinc/87/22/32/771872232.db2.gz MRDNSSAZVCLRKD-LSDHHAIUSA-N 1 3 311.470 0.785 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385879 771910154 /nfs/dbraw/zinc/91/01/54/771910154.db2.gz WGYVZZFFVYHTRX-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159860856 771969056 /nfs/dbraw/zinc/96/90/56/771969056.db2.gz FWHXSLWSJRRPLP-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997827 771986462 /nfs/dbraw/zinc/98/64/62/771986462.db2.gz ZOVWGFDAWLCIHA-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO Cn1ccc(CNCCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001160274477 772017339 /nfs/dbraw/zinc/01/73/39/772017339.db2.gz TXINTKYXHPTGHN-HNNXBMFYSA-N 1 3 307.442 0.890 20 0 DCADHO Cn1ccc(CNCCCNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001160274477 772017343 /nfs/dbraw/zinc/01/73/43/772017343.db2.gz TXINTKYXHPTGHN-HNNXBMFYSA-N 1 3 307.442 0.890 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@H](C(C)C)[NH+](C)C)nn1 ZINC001160421490 772035303 /nfs/dbraw/zinc/03/53/03/772035303.db2.gz SNHFMDBHQRKPTC-HNNXBMFYSA-N 1 3 323.441 0.667 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001186452939 772042104 /nfs/dbraw/zinc/04/21/04/772042104.db2.gz WFLSMOLGIBEDNE-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460699 772043407 /nfs/dbraw/zinc/04/34/07/772043407.db2.gz CWPKLEDAIDFCDO-CABCVRRESA-N 1 3 305.426 0.756 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460699 772043414 /nfs/dbraw/zinc/04/34/14/772043414.db2.gz CWPKLEDAIDFCDO-CABCVRRESA-N 1 3 305.426 0.756 20 0 DCADHO N[C@@H](C(=O)N1CCC(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001160588949 772072855 /nfs/dbraw/zinc/07/28/55/772072855.db2.gz KOOOJAIFFNHXLD-CQSZACIVSA-N 1 3 303.410 0.510 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650095 772086862 /nfs/dbraw/zinc/08/68/62/772086862.db2.gz RHSHPAGUQFDMDQ-HBNTYKKESA-N 1 3 303.378 0.333 20 0 DCADHO Cc1ccc(CSC[C@H](N)C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160653215 772088989 /nfs/dbraw/zinc/08/89/89/772088989.db2.gz YXUOEAUUPSIKRT-QLFBSQMISA-N 1 3 323.462 0.476 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824712 772096625 /nfs/dbraw/zinc/09/66/25/772096625.db2.gz HFGBMTBUEVYSKR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824712 772096631 /nfs/dbraw/zinc/09/66/31/772096631.db2.gz HFGBMTBUEVYSKR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H](C1CCC1)C(F)(F)F ZINC001160772808 772110225 /nfs/dbraw/zinc/11/02/25/772110225.db2.gz BAIALILMONNSOT-WDEREUQCSA-N 1 3 305.344 0.985 20 0 DCADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001160837865 772119706 /nfs/dbraw/zinc/11/97/06/772119706.db2.gz DFOFBRNICDLSQM-MCIONIFRSA-N 1 3 313.442 0.321 20 0 DCADHO O=C(N1CCC(n2cccn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160846484 772121393 /nfs/dbraw/zinc/12/13/93/772121393.db2.gz SCDGFRSIURHTOS-CZUORRHYSA-N 1 3 303.410 0.246 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN2CCc3ccccc3[C@H]2C1 ZINC001160849613 772123937 /nfs/dbraw/zinc/12/39/37/772123937.db2.gz RWFCYXARSMTUKR-DLBZAZTESA-N 1 3 316.449 0.884 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106936 772131308 /nfs/dbraw/zinc/13/13/08/772131308.db2.gz RIIBRPOOEPOSCN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106936 772131309 /nfs/dbraw/zinc/13/13/09/772131309.db2.gz RIIBRPOOEPOSCN-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187083478 772134598 /nfs/dbraw/zinc/13/45/98/772134598.db2.gz JUXWUDQKJSSURC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187083478 772134600 /nfs/dbraw/zinc/13/46/00/772134600.db2.gz JUXWUDQKJSSURC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)C3CCC(O)CC3)C[C@H]2C1 ZINC001161174679 772181338 /nfs/dbraw/zinc/18/13/38/772181338.db2.gz CFHGIQCYUNSBCQ-BLLSQUSRSA-N 1 3 309.454 0.665 20 0 DCADHO O=C([C@@H]1CCC2(CNC2)O1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205191 772183573 /nfs/dbraw/zinc/18/35/73/772183573.db2.gz JWAJSNVLQBIGJB-HNNXBMFYSA-N 1 3 307.438 0.746 20 0 DCADHO CO[C@@H]1CN(C(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)C[C@@H]1[NH3+] ZINC001161493180 772233817 /nfs/dbraw/zinc/23/38/17/772233817.db2.gz FWCDJMDCURZDBZ-QKNHZHOFSA-N 1 3 307.438 0.715 20 0 DCADHO CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC2(CN(C)C2)C1 ZINC001161532197 772240174 /nfs/dbraw/zinc/24/01/74/772240174.db2.gz OYXFEQGPEGIRMC-LBPRGKRZSA-N 1 3 311.426 0.600 20 0 DCADHO CN(C)CC(=O)N[C@H]1CC[C@H](Nc2ncc3c(n2)C[NH2+]C3)CC1 ZINC001161669726 772263805 /nfs/dbraw/zinc/26/38/05/772263805.db2.gz HFBNOIJZOYSGEA-JOCQHMNTSA-N 1 3 318.425 0.481 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188118474 772268832 /nfs/dbraw/zinc/26/88/32/772268832.db2.gz WSTLYLSEBQGTJI-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001188145965 772272264 /nfs/dbraw/zinc/27/22/64/772272264.db2.gz UASHJAWUUZVASD-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO NCc1ccnn1-c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001162593238 772395405 /nfs/dbraw/zinc/39/54/05/772395405.db2.gz DQLFVESXSQUQNY-UHFFFAOYSA-N 1 3 320.418 0.857 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cc(S(N)(=O)=O)ccn1 ZINC001163128681 772468626 /nfs/dbraw/zinc/46/86/26/772468626.db2.gz AWCDDLJNXFYBCT-UHFFFAOYSA-N 1 3 314.415 0.007 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cncc(C(=O)N(C)C)n1 ZINC001163128645 772468834 /nfs/dbraw/zinc/46/88/34/772468834.db2.gz OMSCZULPAVFEHO-UHFFFAOYSA-N 1 3 307.402 0.456 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189471601 772477695 /nfs/dbraw/zinc/47/76/95/772477695.db2.gz WXRMJFFKMFEIPB-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189471601 772477697 /nfs/dbraw/zinc/47/76/97/772477697.db2.gz WXRMJFFKMFEIPB-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(c1ccc([C@H]2CCCCN2C)cn1)S(=O)(=O)CC[NH3+] ZINC001164292273 772638465 /nfs/dbraw/zinc/63/84/65/772638465.db2.gz IFNIDHHGZATLEN-CYBMUJFWSA-N 1 3 312.439 0.963 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1c1ccc(CN2CCCC2)cn1 ZINC001165126544 772699104 /nfs/dbraw/zinc/69/91/04/772699104.db2.gz JJFHAMDAHDQZJS-KBPBESRZSA-N 1 3 304.394 0.756 20 0 DCADHO C[NH+](C)CCC(=O)NCCC[NH2+]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001165781524 772762361 /nfs/dbraw/zinc/76/23/61/772762361.db2.gz TYEHNPVWLIVASR-UHFFFAOYSA-N 1 3 321.425 0.607 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004005 772778008 /nfs/dbraw/zinc/77/80/08/772778008.db2.gz BDAWSGMPSLZYJI-CQSZACIVSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C)C1CC1 ZINC001166626168 772830414 /nfs/dbraw/zinc/83/04/14/772830414.db2.gz BWUOORDDKYVLKB-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1cnc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cn1 ZINC001166627399 772831410 /nfs/dbraw/zinc/83/14/10/772831410.db2.gz UWLHLBSGYWGSFQ-AWEZNQCLSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001166634459 772831903 /nfs/dbraw/zinc/83/19/03/772831903.db2.gz SOYSYYWRSMGJJA-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC001166695026 772842946 /nfs/dbraw/zinc/84/29/46/772842946.db2.gz ZOELFASQWFBSCX-IUODEOHRSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC001166695026 772842950 /nfs/dbraw/zinc/84/29/50/772842950.db2.gz ZOELFASQWFBSCX-IUODEOHRSA-N 1 3 305.426 0.579 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166707026 772844601 /nfs/dbraw/zinc/84/46/01/772844601.db2.gz CGLFLYXBMQRHGR-OCCSQVGLSA-N 1 3 308.430 0.092 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166707026 772844605 /nfs/dbraw/zinc/84/46/05/772844605.db2.gz CGLFLYXBMQRHGR-OCCSQVGLSA-N 1 3 308.430 0.092 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)nn1 ZINC001166708295 772845926 /nfs/dbraw/zinc/84/59/26/772845926.db2.gz OFLJMRVXNDGQNN-GXTWGEPZSA-N 1 3 321.425 0.279 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)nn1 ZINC001166708295 772845928 /nfs/dbraw/zinc/84/59/28/772845928.db2.gz OFLJMRVXNDGQNN-GXTWGEPZSA-N 1 3 321.425 0.279 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001205457483 772993880 /nfs/dbraw/zinc/99/38/80/772993880.db2.gz ANPBNASVWSMSGW-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001205469465 772994091 /nfs/dbraw/zinc/99/40/91/772994091.db2.gz GQVNVXIQXISATL-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274256 773061444 /nfs/dbraw/zinc/06/14/44/773061444.db2.gz GIBSTJBATOJNFL-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001206275566 773061737 /nfs/dbraw/zinc/06/17/37/773061737.db2.gz VDSJKKAGFGOCSY-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO COc1ncc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cn1 ZINC001206432395 773076607 /nfs/dbraw/zinc/07/66/07/773076607.db2.gz LGZOSRJHEOKMAA-UHFFFAOYSA-N 1 3 319.453 0.945 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC001193643101 773093882 /nfs/dbraw/zinc/09/38/82/773093882.db2.gz RQHYQXCBGCGIDS-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC001193643101 773093887 /nfs/dbraw/zinc/09/38/87/773093887.db2.gz RQHYQXCBGCGIDS-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687692 773269899 /nfs/dbraw/zinc/26/98/99/773269899.db2.gz ILYPYRGGCUSNHT-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328334 773434125 /nfs/dbraw/zinc/43/41/25/773434125.db2.gz CQMIBAUOEDMEDV-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340175 773437757 /nfs/dbraw/zinc/43/77/57/773437757.db2.gz KBOBXKIQIJSKEY-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001208414795 773455542 /nfs/dbraw/zinc/45/55/42/773455542.db2.gz YATKXJUIQVJMQV-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001208447651 773463717 /nfs/dbraw/zinc/46/37/17/773463717.db2.gz PRGBCWITXVMOGW-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC001208454077 773466998 /nfs/dbraw/zinc/46/69/98/773466998.db2.gz SFNYLIUDPJAARA-CYBMUJFWSA-N 1 3 322.457 0.626 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCc2cnnn2C)C1 ZINC001208454077 773467000 /nfs/dbraw/zinc/46/70/00/773467000.db2.gz SFNYLIUDPJAARA-CYBMUJFWSA-N 1 3 322.457 0.626 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC001195860013 773486452 /nfs/dbraw/zinc/48/64/52/773486452.db2.gz RPTYQGXKFVPJNF-RRFJBIMHSA-N 1 3 313.442 0.059 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001209322863 773591033 /nfs/dbraw/zinc/59/10/33/773591033.db2.gz AJBGORLQLOZEBP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCC(=O)N1CCCN(CCCO)CC1)c1cc[nH+]cc1 ZINC001196366436 773594779 /nfs/dbraw/zinc/59/47/79/773594779.db2.gz LVPTYYIYGVJYOB-UHFFFAOYSA-N 1 3 320.437 0.825 20 0 DCADHO C[C@H]1C[C@@H]1C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001209416952 773603179 /nfs/dbraw/zinc/60/31/79/773603179.db2.gz VCTSSGJZAPTUJC-JKSUJKDBSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)c1nc(CN[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209443749 773603732 /nfs/dbraw/zinc/60/37/32/773603732.db2.gz ARDOWPDEJYPMOB-CYBMUJFWSA-N 1 3 322.457 0.960 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NCC2CC2)C1 ZINC001209445037 773605140 /nfs/dbraw/zinc/60/51/40/773605140.db2.gz JWUPELJVMPNVHE-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643695 773629608 /nfs/dbraw/zinc/62/96/08/773629608.db2.gz VMGNXQSVAKJSIF-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001210482118 773711096 /nfs/dbraw/zinc/71/10/96/773711096.db2.gz KTKXMYGDOPWZBS-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001210482118 773711100 /nfs/dbraw/zinc/71/11/00/773711100.db2.gz KTKXMYGDOPWZBS-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001210750356 773734567 /nfs/dbraw/zinc/73/45/67/773734567.db2.gz CIMHGKSIRMFMPX-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001210788609 773739462 /nfs/dbraw/zinc/73/94/62/773739462.db2.gz GKQYVAUHHUCOPZ-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001210810671 773741983 /nfs/dbraw/zinc/74/19/83/773741983.db2.gz CIKMCPSXLFATQY-AWEZNQCLSA-N 1 3 308.430 0.201 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211063977 773765007 /nfs/dbraw/zinc/76/50/07/773765007.db2.gz FLQPMLCLEOPLDZ-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211063977 773765011 /nfs/dbraw/zinc/76/50/11/773765011.db2.gz FLQPMLCLEOPLDZ-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211251065 773785097 /nfs/dbraw/zinc/78/50/97/773785097.db2.gz ZGGBCTQXRZPTDJ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1 ZINC001211256476 773786586 /nfs/dbraw/zinc/78/65/86/773786586.db2.gz HINYGQPLMSGVMP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001152433172 773893698 /nfs/dbraw/zinc/89/36/98/773893698.db2.gz WKMBENNTIDHQEO-AWEZNQCLSA-N 1 3 301.431 0.228 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001203902619 773909154 /nfs/dbraw/zinc/90/91/54/773909154.db2.gz HBQMNNHSAUIVJD-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214597550 773999450 /nfs/dbraw/zinc/99/94/50/773999450.db2.gz LNGNZCRJUHHTEN-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214597550 773999454 /nfs/dbraw/zinc/99/94/54/773999454.db2.gz LNGNZCRJUHHTEN-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861263 774019623 /nfs/dbraw/zinc/01/96/23/774019623.db2.gz NMVORMXPPHJXQG-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001214953001 774028809 /nfs/dbraw/zinc/02/88/09/774028809.db2.gz WFAKHCHEJHIVRW-BPLDGKMQSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC001214997234 774031890 /nfs/dbraw/zinc/03/18/90/774031890.db2.gz GROGZWYVRMTKSQ-ZIAGYGMSSA-N 1 3 322.457 0.445 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402225061 774079978 /nfs/dbraw/zinc/07/99/78/774079978.db2.gz AGYRHFVJGBHIMR-MRXNPFEDSA-N 1 3 318.421 0.135 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001215571651 774083625 /nfs/dbraw/zinc/08/36/25/774083625.db2.gz QZYMTAWBTQRWHE-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1 ZINC001216217528 774109225 /nfs/dbraw/zinc/10/92/25/774109225.db2.gz XHRSHZAQWSILTH-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1 ZINC001216217528 774109227 /nfs/dbraw/zinc/10/92/27/774109227.db2.gz XHRSHZAQWSILTH-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1noc2nc(O[C@@H]3C[NH2+]CCOC3)c3c(c12)CCNC3 ZINC001218043206 774210202 /nfs/dbraw/zinc/21/02/02/774210202.db2.gz XGKTUWRZASXTSG-SNVBAGLBSA-N 1 3 304.350 0.544 20 0 DCADHO O=C(Nc1cccc(C(F)(F)F)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218539404 774242245 /nfs/dbraw/zinc/24/22/45/774242245.db2.gz IGMHXPPNCWSEAC-QMMMGPOBSA-N 1 3 300.284 0.848 20 0 DCADHO COCCCN(C(=O)[C@@H](N)CCCC[NH3+])c1ncccc1N ZINC001218559476 774246633 /nfs/dbraw/zinc/24/66/33/774246633.db2.gz AVIHMBCZFRPEGX-ZDUSSCGKSA-N 1 3 309.414 0.490 20 0 DCADHO O=C(Nc1cnn2ccc(Cl)nc12)[C@@H]1C[NH2+]CC12CNC2 ZINC001218616382 774263848 /nfs/dbraw/zinc/26/38/48/774263848.db2.gz RMLLUWYUDSGHRH-QMMMGPOBSA-N 1 3 306.757 0.130 20 0 DCADHO Cc1cc(C)n2nc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cc2n1 ZINC001218627591 774266850 /nfs/dbraw/zinc/26/68/50/774266850.db2.gz GINPFMYXRVLBPS-AWEZNQCLSA-N 1 3 302.382 0.612 20 0 DCADHO O=C(Nc1ncccc1OC(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001218651425 774273117 /nfs/dbraw/zinc/27/31/17/774273117.db2.gz KLPFTXILUNVLIA-QMMMGPOBSA-N 1 3 316.283 0.728 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1cnc(-c2ccc(O)cc2)nc1 ZINC001218701466 774283059 /nfs/dbraw/zinc/28/30/59/774283059.db2.gz HGICATATLBHYMS-CYBMUJFWSA-N 1 3 301.350 0.854 20 0 DCADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001218712156 774286984 /nfs/dbraw/zinc/28/69/84/774286984.db2.gz MWYWZBOKGVKCJU-FPQZTECRSA-N 1 3 306.366 0.947 20 0 DCADHO N[C@H](C(=O)Nc1nc(Cl)cc2nc[nH]c21)C1CC[NH2+]CC1 ZINC001218745664 774294882 /nfs/dbraw/zinc/29/48/82/774294882.db2.gz NFVNTFDGVULQPQ-JTQLQIEISA-N 1 3 308.773 0.877 20 0 DCADHO O=C(Nc1cc(Cl)nc2ccnn21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218745920 774294992 /nfs/dbraw/zinc/29/49/92/774294992.db2.gz RHTWQJKDWAINGG-YMTOWFKASA-N 1 3 320.784 0.520 20 0 DCADHO CN(C)C(=O)Cc1ccccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218954331 774335938 /nfs/dbraw/zinc/33/59/38/774335938.db2.gz KAMJQQULQNEGTF-ZDUSSCGKSA-N 1 3 316.405 0.065 20 0 DCADHO CN1CCC(CO)(NC(=S)NCC[NH+]2CCCCC2)CC1 ZINC001200444465 774343444 /nfs/dbraw/zinc/34/34/44/774343444.db2.gz IIGOHQXIXQYSSE-UHFFFAOYSA-N 1 3 314.499 0.393 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218994292 774343690 /nfs/dbraw/zinc/34/36/90/774343690.db2.gz CAZBHVXORJFVQX-OCCSQVGLSA-N 1 3 305.378 0.983 20 0 DCADHO CO[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC001219029787 774349671 /nfs/dbraw/zinc/34/96/71/774349671.db2.gz NUTWLRVKUHQJML-KBPBESRZSA-N 1 3 305.378 0.874 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCCF)C2)CC[N@@H+]1C ZINC001200555142 774368889 /nfs/dbraw/zinc/36/88/89/774368889.db2.gz OVQALLAVCVUZMK-SOUVJXGZSA-N 1 3 315.433 0.893 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCCF)C2)CC[N@H+]1C ZINC001200555142 774368896 /nfs/dbraw/zinc/36/88/96/774368896.db2.gz OVQALLAVCVUZMK-SOUVJXGZSA-N 1 3 315.433 0.893 20 0 DCADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CNC[C@@H](F)C1 ZINC001219115539 774376574 /nfs/dbraw/zinc/37/65/74/774376574.db2.gz CJRDYQPSXUVADD-STQMWFEESA-N 1 3 306.385 0.982 20 0 DCADHO O=C(C[C@H]1CNCCO1)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219117488 774377265 /nfs/dbraw/zinc/37/72/65/774377265.db2.gz AKCFYFNVCPPMBS-HNNXBMFYSA-N 1 3 304.394 0.413 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001200634934 774381181 /nfs/dbraw/zinc/38/11/81/774381181.db2.gz OEDXLXTVUJQDFU-KBPBESRZSA-N 1 3 321.412 0.843 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCCF)C1)C1CC1 ZINC001200687394 774389625 /nfs/dbraw/zinc/38/96/25/774389625.db2.gz ALKBTVNIEBUJON-HUUCEWRRSA-N 1 3 315.433 0.893 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037562 774443553 /nfs/dbraw/zinc/44/35/53/774443553.db2.gz MDUXFPNEASKGCI-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052916 774445594 /nfs/dbraw/zinc/44/55/94/774445594.db2.gz IFNSQMBDFDGKSK-INIZCTEOSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)c1cc(C)c(C)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219402388 774479228 /nfs/dbraw/zinc/47/92/28/774479228.db2.gz KBPALHRZKCIJBU-ZDUSSCGKSA-N 1 3 317.389 0.838 20 0 DCADHO N[C@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)C1CCOCC1 ZINC001219537183 774527965 /nfs/dbraw/zinc/52/79/65/774527965.db2.gz JNEUIXXRHXUYSR-PJODQICGSA-N 1 3 317.389 0.827 20 0 DCADHO CO[C@@H]1CCN[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219540834 774530775 /nfs/dbraw/zinc/53/07/75/774530775.db2.gz JDVCUAZPZXSHHH-REJLFOLJSA-N 1 3 317.389 0.840 20 0 DCADHO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CNCc2ccnn2C1 ZINC001219608338 774554605 /nfs/dbraw/zinc/55/46/05/774554605.db2.gz VQADLTYCNUDLIP-SKDRFNHKSA-N 1 3 317.315 0.013 20 0 DCADHO Nc1ccncc1C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219798225 774611864 /nfs/dbraw/zinc/61/18/64/774611864.db2.gz QDQPSCSWVDSABE-UHFFFAOYSA-N 1 3 303.410 0.440 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)CCC[NH+](C)C)CC2)n1 ZINC001202216807 774617130 /nfs/dbraw/zinc/61/71/30/774617130.db2.gz BYSPYGQQIYMEKW-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CCn1ccc(CNC2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001202330166 774637205 /nfs/dbraw/zinc/63/72/05/774637205.db2.gz CLIDFHIFKHKHAZ-UHFFFAOYSA-N 1 3 307.442 0.935 20 0 DCADHO Cn1cc2c(n1)[C@H](CNC(=O)[C@@H](N)CCCC[NH+](C)C)OCC2 ZINC001219885463 774637293 /nfs/dbraw/zinc/63/72/93/774637293.db2.gz PWEVISMUYAHCNR-KBPBESRZSA-N 1 3 323.441 0.209 20 0 DCADHO CN1C(=O)CCC12CCC(NC(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001219896098 774639085 /nfs/dbraw/zinc/63/90/85/774639085.db2.gz LGZGZXMZWIHKEV-GNHJJJEISA-N 1 3 322.453 0.363 20 0 DCADHO N[C@H](CC(=O)NCC[NH2+]CCO)c1ccc(C(F)(F)F)cc1 ZINC001219918022 774645420 /nfs/dbraw/zinc/64/54/20/774645420.db2.gz CACOICGSWRNAPX-GFCCVEGCSA-N 1 3 319.327 0.793 20 0 DCADHO CC1(C)CC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC(C)(C)N1O ZINC001220049970 774681485 /nfs/dbraw/zinc/68/14/85/774681485.db2.gz WEPGLWMKEDVDBY-LBPRGKRZSA-N 1 3 310.442 0.322 20 0 DCADHO Cc1c(NC(=O)[C@@H](N)CCC[NH3+])c(=O)n(-c2ccccc2)n1C ZINC001220111281 774696362 /nfs/dbraw/zinc/69/63/62/774696362.db2.gz OLQGCCCKHXNFMC-ZDUSSCGKSA-N 1 3 317.393 0.489 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001110682883 774708631 /nfs/dbraw/zinc/70/86/31/774708631.db2.gz HGBBZNGLOMHXIE-JJXSEGSLSA-N 1 3 309.454 0.965 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001110682883 774708636 /nfs/dbraw/zinc/70/86/36/774708636.db2.gz HGBBZNGLOMHXIE-JJXSEGSLSA-N 1 3 309.454 0.965 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163960 774715963 /nfs/dbraw/zinc/71/59/63/774715963.db2.gz XFNPSNSBPZNSSG-GAYGKOFMSA-N 1 3 301.456 0.121 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(=O)N(C)C ZINC001202496511 774728053 /nfs/dbraw/zinc/72/80/53/774728053.db2.gz TXSQALUHDCYFOC-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202496531 774728419 /nfs/dbraw/zinc/72/84/19/774728419.db2.gz UURVOGVJPCIBBP-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@@H]1O ZINC001220277291 774754261 /nfs/dbraw/zinc/75/42/61/774754261.db2.gz UYUFSPCSDUHLEW-IKGGRYGDSA-N 1 3 317.433 0.787 20 0 DCADHO CCCN1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387999 774790712 /nfs/dbraw/zinc/79/07/12/774790712.db2.gz XMLGMXGNSMAOFB-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO COc1ccc(CCNC(=O)[C@@H](N)CCCC[NH+](C)C)nc1 ZINC001220397126 774794552 /nfs/dbraw/zinc/79/45/52/774794552.db2.gz ZKOGUCCEPFXFKV-HNNXBMFYSA-N 1 3 308.426 0.808 20 0 DCADHO Cn1cc(-c2cc(CNC(=O)[C@@H](N)CCC[NH3+])ccn2)cn1 ZINC001220451102 774813424 /nfs/dbraw/zinc/81/34/24/774813424.db2.gz IVNCGGHYIXAVBC-ZDUSSCGKSA-N 1 3 302.382 0.165 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220501159 774828139 /nfs/dbraw/zinc/82/81/39/774828139.db2.gz OCVKESIZJNQJNO-KBPBESRZSA-N 1 3 306.410 0.292 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNC1 ZINC001220521330 774833479 /nfs/dbraw/zinc/83/34/79/774833479.db2.gz CHYFDGNRSLMEJA-CNDDSTCGSA-N 1 3 307.394 0.159 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCc1cnc(N)s1 ZINC001220704875 774895674 /nfs/dbraw/zinc/89/56/74/774895674.db2.gz WGXOQVJLPQPNAE-LBPRGKRZSA-N 1 3 313.471 0.880 20 0 DCADHO O=C(NCc1ccc(C2OCCO2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220838346 774931616 /nfs/dbraw/zinc/93/16/16/774931616.db2.gz KVYWHBYRDFXEIW-AWEZNQCLSA-N 1 3 317.389 0.157 20 0 DCADHO CCOC(=O)[C@H](CNC(=O)[C@H](N)CCC[NH3+])c1ccccc1 ZINC001220876103 774941155 /nfs/dbraw/zinc/94/11/55/774941155.db2.gz DESJAWLVUTZKIA-ZIAGYGMSSA-N 1 3 307.394 0.516 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918997 774951306 /nfs/dbraw/zinc/95/13/06/774951306.db2.gz OBNIYYRGCYAWPZ-IUODEOHRSA-N 1 3 305.426 0.803 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918997 774951309 /nfs/dbraw/zinc/95/13/09/774951309.db2.gz OBNIYYRGCYAWPZ-IUODEOHRSA-N 1 3 305.426 0.803 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936486 774957369 /nfs/dbraw/zinc/95/73/69/774957369.db2.gz GKGZKFBNLVBKOZ-HOCLYGCPSA-N 1 3 309.385 0.580 20 0 DCADHO CN[C@H](C(=O)NCCO[C@H]1CC[NH2+]C1)[C@@H](C)OC(C)(C)C ZINC001220937664 774957394 /nfs/dbraw/zinc/95/73/94/774957394.db2.gz XCFBFGWKUIGVNN-AGIUHOORSA-N 1 3 301.431 0.273 20 0 DCADHO CC(C)Oc1nccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001220988828 774971678 /nfs/dbraw/zinc/97/16/78/774971678.db2.gz XSRJGOQCYKLQAI-ZDUSSCGKSA-N 1 3 307.398 0.207 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220994595 774972424 /nfs/dbraw/zinc/97/24/24/774972424.db2.gz YJKKWIADCVWYKE-CVEARBPZSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)NC1CC1 ZINC001202674292 774986030 /nfs/dbraw/zinc/98/60/30/774986030.db2.gz RYUBYYPFKVGTEX-LLVKDONJSA-N 1 3 319.409 0.200 20 0 DCADHO C[C@H](F)CCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081939 774991760 /nfs/dbraw/zinc/99/17/60/774991760.db2.gz ZDPUGICUCKDPJI-ZNMIVQPWSA-N 1 3 315.433 0.772 20 0 DCADHO CN1CCC[C@](C)(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001221241662 775038912 /nfs/dbraw/zinc/03/89/12/775038912.db2.gz WMDXFAGZHCKYPE-ZOBUZTSGSA-N 1 3 308.470 0.661 20 0 DCADHO CCOC(=O)/C=C(/NC(=O)[C@@H](N)CCCC[NH+](C)C)OCC ZINC001221262706 775049396 /nfs/dbraw/zinc/04/93/96/775049396.db2.gz NGDDFPQVKPQUNF-KLDSGFLGSA-N 1 3 315.414 0.603 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221390244 775082109 /nfs/dbraw/zinc/08/21/09/775082109.db2.gz CGFOZSPNXVRXQA-DOMZBBRYSA-N 1 3 304.438 0.943 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)c3cc(C[NH3+])ccn3)CC2)NC1 ZINC001221393134 775084863 /nfs/dbraw/zinc/08/48/63/775084863.db2.gz WNQIQMCYFBPKBU-UHFFFAOYSA-N 1 3 313.405 0.722 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001221397210 775085809 /nfs/dbraw/zinc/08/58/09/775085809.db2.gz HLJXGTHQPHAYGS-LSDHHAIUSA-N 1 3 301.390 0.338 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)CN2CCCC[C@H](N)C2=O)[C@H](C)C1 ZINC001221408448 775091978 /nfs/dbraw/zinc/09/19/78/775091978.db2.gz PYAPNOZITOTLGR-ILXRZTDVSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CC[C@H](NC(=O)CN2CCCC[C@H](N)C2=O)[C@H](C)C1 ZINC001221408448 775091985 /nfs/dbraw/zinc/09/19/85/775091985.db2.gz PYAPNOZITOTLGR-ILXRZTDVSA-N 1 3 324.469 0.561 20 0 DCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001095425394 775114690 /nfs/dbraw/zinc/11/46/90/775114690.db2.gz OGFPGHFBNSLSAI-WCVJEAGWSA-N 1 3 307.438 0.432 20 0 DCADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095785117 775670170 /nfs/dbraw/zinc/67/01/70/775670170.db2.gz AWETXTZOADMNPM-PXZCVYSUSA-N 1 3 319.449 0.981 20 0 DCADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001095785117 775670184 /nfs/dbraw/zinc/67/01/84/775670184.db2.gz AWETXTZOADMNPM-PXZCVYSUSA-N 1 3 319.449 0.981 20 0 DCADHO Cc1nc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)cs1 ZINC001114778781 776117539 /nfs/dbraw/zinc/11/75/39/776117539.db2.gz QZZVPSCUFYPONV-FOLVSLTJSA-N 1 3 322.478 0.992 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229693288 776213094 /nfs/dbraw/zinc/21/30/94/776213094.db2.gz QXVXTJSQAJLMHE-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001229693288 776213100 /nfs/dbraw/zinc/21/31/00/776213100.db2.gz QXVXTJSQAJLMHE-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284862 776275383 /nfs/dbraw/zinc/27/53/83/776275383.db2.gz XKQHMPZZTLWISY-RBSFLKMASA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001230284380 776275591 /nfs/dbraw/zinc/27/55/91/776275591.db2.gz BHFXFKJRFKKLCS-KFWWJZLASA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO)CC[N@@H+]1C ZINC001095921453 776500082 /nfs/dbraw/zinc/50/00/82/776500082.db2.gz UYAWWOXVWKQBAH-QMHWVQJVSA-N 1 3 309.454 0.821 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO)CC[N@H+]1C ZINC001095921453 776500089 /nfs/dbraw/zinc/50/00/89/776500089.db2.gz UYAWWOXVWKQBAH-QMHWVQJVSA-N 1 3 309.454 0.821 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001067010450 776612804 /nfs/dbraw/zinc/61/28/04/776612804.db2.gz MHXNNESCNDVLPO-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1)N(C)C ZINC001041378423 777239463 /nfs/dbraw/zinc/23/94/63/777239463.db2.gz JKYMNIPXDQMAGF-DOTOQJQBSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1)N(C)C ZINC001041378423 777239469 /nfs/dbraw/zinc/23/94/69/777239469.db2.gz JKYMNIPXDQMAGF-DOTOQJQBSA-N 1 3 311.470 0.879 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001486728069 945098472 /nfs/dbraw/zinc/09/84/72/945098472.db2.gz PYNYWJYADKACJD-NWDGAFQWSA-N 1 3 323.441 0.612 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001486728071 945099218 /nfs/dbraw/zinc/09/92/18/945099218.db2.gz PYNYWJYADKACJD-VXGBXAGGSA-N 1 3 323.441 0.612 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CC[NH+](CCN1CCCC1)CC2 ZINC001278055495 945119493 /nfs/dbraw/zinc/11/94/93/945119493.db2.gz FLULLXBHAVGMNF-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCc1ccnn1C ZINC001317665184 945154198 /nfs/dbraw/zinc/15/41/98/945154198.db2.gz QAWWXGMUVALAGA-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO Cc1c(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)cnn1C ZINC001273018616 945194848 /nfs/dbraw/zinc/19/48/48/945194848.db2.gz JTALYGKARLXVLQ-HZPDHXFCSA-N 1 3 319.453 0.855 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1cnn(C)c1 ZINC001480870831 939095763 /nfs/dbraw/zinc/09/57/63/939095763.db2.gz AUYAGBWHCRFSMM-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1cnn(C)c1 ZINC001480870831 939095770 /nfs/dbraw/zinc/09/57/70/939095770.db2.gz AUYAGBWHCRFSMM-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCO[C@H]2CC2(F)F)CCC1 ZINC001266724220 939221151 /nfs/dbraw/zinc/22/11/51/939221151.db2.gz IIJNQOPXOLPIFR-LBPRGKRZSA-N 1 3 319.396 0.943 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccnc(OC)c1)N(C)C ZINC001266836865 939249358 /nfs/dbraw/zinc/24/93/58/939249358.db2.gz ZGMHMKSKYPDBHJ-AWEZNQCLSA-N 1 3 308.426 0.978 20 0 DCADHO CN(CCNCC(=O)NCC1CCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266980883 939296700 /nfs/dbraw/zinc/29/67/00/939296700.db2.gz ZJDBAIIEEPZKTO-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CN(CCNCC(=O)NCC1CCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266980883 939296702 /nfs/dbraw/zinc/29/67/02/939296702.db2.gz ZJDBAIIEEPZKTO-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001266988696 939298970 /nfs/dbraw/zinc/29/89/70/939298970.db2.gz OCMTWINBCPODTK-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001266989078 939299357 /nfs/dbraw/zinc/29/93/57/939299357.db2.gz RZBPYZDZUFPWNL-AWEZNQCLSA-N 1 3 308.426 0.274 20 0 DCADHO CN(CC(=O)N(C)CCNC(=O)CC[NH+](C)C)CC(C)(C)C ZINC001408678919 939568015 /nfs/dbraw/zinc/56/80/15/939568015.db2.gz MERFAYZPTGUQRT-UHFFFAOYSA-N 1 3 314.474 0.491 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001408689322 939575966 /nfs/dbraw/zinc/57/59/66/939575966.db2.gz IVRLOGMTOBEVPW-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001408689322 939575967 /nfs/dbraw/zinc/57/59/67/939575967.db2.gz IVRLOGMTOBEVPW-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001408825958 939680462 /nfs/dbraw/zinc/68/04/62/939680462.db2.gz LTPAJJIDVVPHIJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCn1cccn1)N(C)C ZINC001267958349 939713246 /nfs/dbraw/zinc/71/32/46/939713246.db2.gz JMMWPSNEIJVKIR-HUUCEWRRSA-N 1 3 307.442 0.804 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCOCCO)C1 ZINC001481535702 939923625 /nfs/dbraw/zinc/92/36/25/939923625.db2.gz MNVGISMKFBJFJQ-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC001481535702 939923629 /nfs/dbraw/zinc/92/36/29/939923629.db2.gz MNVGISMKFBJFJQ-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(C)C ZINC001481849060 940159412 /nfs/dbraw/zinc/15/94/12/940159412.db2.gz VHNDOMUZQPJIQL-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001481875653 940167700 /nfs/dbraw/zinc/16/77/00/940167700.db2.gz OSMPLKVFKINHSR-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001481875653 940167704 /nfs/dbraw/zinc/16/77/04/940167704.db2.gz OSMPLKVFKINHSR-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO O[C@H](C[NH2+][C@@H]1CCCCNC1)COCC(F)(F)C(F)F ZINC001245987736 945306834 /nfs/dbraw/zinc/30/68/34/945306834.db2.gz BVOBLYCARRKCFD-NXEZZACHSA-N 1 3 302.312 0.996 20 0 DCADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245977052 945303256 /nfs/dbraw/zinc/30/32/56/945303256.db2.gz UYQGIGYEUCHNEQ-VNQPRFMTSA-N 1 3 312.385 0.387 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268588621 940271288 /nfs/dbraw/zinc/27/12/88/940271288.db2.gz UEUPMYSMGUTSRS-URWSZGRFSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)N(C)C1CC1 ZINC001482144492 940283160 /nfs/dbraw/zinc/28/31/60/940283160.db2.gz SRRMYAUZZNSUFT-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)n1 ZINC001268704583 940335558 /nfs/dbraw/zinc/33/55/58/940335558.db2.gz JMDIRKWZSMPNNS-ZFWWWQNUSA-N 1 3 321.469 0.936 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001268797161 940365197 /nfs/dbraw/zinc/36/51/97/940365197.db2.gz HBDRWDRMMNSMGZ-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO O[C@@]1(C[NH2+]C2CCN(c3ncccn3)CC2)CCNC[C@@H]1F ZINC001246084422 945333643 /nfs/dbraw/zinc/33/36/43/945333643.db2.gz RWYZNKCETJTICF-DZGCQCFKSA-N 1 3 309.389 0.098 20 0 DCADHO CCOC(=O)N1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246081077 945333872 /nfs/dbraw/zinc/33/38/72/945333872.db2.gz IMJGZSBRSBDMTK-GXTWGEPZSA-N 1 3 303.378 0.259 20 0 DCADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246088039 945335670 /nfs/dbraw/zinc/33/56/70/945335670.db2.gz HXICCSDGLGIZQG-SFDCQRBFSA-N 1 3 302.390 0.760 20 0 DCADHO CN1CC[C@H](NC[C@H]2CCCN2C(=O)CCCC[NH+](C)C)C1=O ZINC001270173558 940849012 /nfs/dbraw/zinc/84/90/12/940849012.db2.gz CUNQYSHQLIHGTH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCc1nccn1CC(=O)N1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001270202105 940855639 /nfs/dbraw/zinc/85/56/39/940855639.db2.gz HLJDCDJKCWCINB-LSDHHAIUSA-N 1 3 319.453 0.540 20 0 DCADHO CCc1nccn1CC(=O)N1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001270202105 940855641 /nfs/dbraw/zinc/85/56/41/940855641.db2.gz HLJDCDJKCWCINB-LSDHHAIUSA-N 1 3 319.453 0.540 20 0 DCADHO C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)CN1 ZINC001246210053 945360758 /nfs/dbraw/zinc/36/07/58/945360758.db2.gz ODOXAEGJNAMUFL-RODWMJHOSA-N 1 3 314.426 0.386 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOCC2CC2)C1 ZINC001318444693 945364603 /nfs/dbraw/zinc/36/46/03/945364603.db2.gz FNWNJLPDMXFYCM-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOCC2CC2)C1 ZINC001318444693 945364611 /nfs/dbraw/zinc/36/46/11/945364611.db2.gz FNWNJLPDMXFYCM-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H](C[NH2+]CCn1cccn1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482330073 940998849 /nfs/dbraw/zinc/99/88/49/940998849.db2.gz GTMYZDQLVPBVBY-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482331003 940999290 /nfs/dbraw/zinc/99/92/90/940999290.db2.gz NIZDSBVCVHMPTJ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482331003 940999295 /nfs/dbraw/zinc/99/92/95/940999295.db2.gz NIZDSBVCVHMPTJ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@H]1CCCN1C ZINC001493501684 941013341 /nfs/dbraw/zinc/01/33/41/941013341.db2.gz WOHHCTRDVVRLES-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)CCCC[NH+](C)C ZINC001482353480 941016836 /nfs/dbraw/zinc/01/68/36/941016836.db2.gz CIMVIOIKIWFQOK-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001482368989 941025377 /nfs/dbraw/zinc/02/53/77/941025377.db2.gz KDKXVTCOUIKRIF-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001482386315 941033917 /nfs/dbraw/zinc/03/39/17/941033917.db2.gz SNCISJRUPNWKCW-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](C[NH2+]CCn1cccn1)N(C)C(=O)CN(C)C1CCC1 ZINC001270995900 941237696 /nfs/dbraw/zinc/23/76/96/941237696.db2.gz NQXBWLNRQDSXPN-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001271113262 941265863 /nfs/dbraw/zinc/26/58/63/941265863.db2.gz NBCLQTLFARSFNR-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001423122162 941308749 /nfs/dbraw/zinc/30/87/49/941308749.db2.gz AOIJUDYPCPKOQO-LBPRGKRZSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN1CCCC1 ZINC001271209576 941322757 /nfs/dbraw/zinc/32/27/57/941322757.db2.gz UZUDRVBWPQMLNN-AWEZNQCLSA-N 1 3 307.442 0.495 20 0 DCADHO C[C@H](C(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21)N1CCCC1 ZINC001271213883 941323841 /nfs/dbraw/zinc/32/38/41/941323841.db2.gz ILJRYENEYOFOOA-OWCLPIDISA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cncn1C ZINC001482554361 941493804 /nfs/dbraw/zinc/49/38/04/941493804.db2.gz TUPFPNZIEWRQIC-HOCLYGCPSA-N 1 3 321.469 0.992 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001482644669 941609024 /nfs/dbraw/zinc/60/90/24/941609024.db2.gz XLFNELFXDYEMOC-UHFFFAOYSA-N 1 3 322.453 0.617 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001482644669 941609027 /nfs/dbraw/zinc/60/90/27/941609027.db2.gz XLFNELFXDYEMOC-UHFFFAOYSA-N 1 3 322.453 0.617 20 0 DCADHO CN(CCO[C@@H]1CC1(F)F)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482649364 941609911 /nfs/dbraw/zinc/60/99/11/941609911.db2.gz KZTZMIMZYNKFAD-CHWSQXEVSA-N 1 3 319.396 0.753 20 0 DCADHO CN(CCO[C@@H]1CC1(F)F)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482649364 941609914 /nfs/dbraw/zinc/60/99/14/941609914.db2.gz KZTZMIMZYNKFAD-CHWSQXEVSA-N 1 3 319.396 0.753 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482925515 941714001 /nfs/dbraw/zinc/71/40/01/941714001.db2.gz RIFBSFDZWVDFMY-INIZCTEOSA-N 1 3 319.453 0.700 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001483007814 941773027 /nfs/dbraw/zinc/77/30/27/941773027.db2.gz DRLJXSSKGKUGIU-CLDKDVBBSA-N 1 3 322.453 0.209 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001483007814 941773033 /nfs/dbraw/zinc/77/30/33/941773033.db2.gz DRLJXSSKGKUGIU-CLDKDVBBSA-N 1 3 322.453 0.209 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001483054033 941812125 /nfs/dbraw/zinc/81/21/25/941812125.db2.gz JPISRLSKENAKCT-PSKZRQQASA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001483060298 941817506 /nfs/dbraw/zinc/81/75/06/941817506.db2.gz HWGKLRGFZQBLNL-JKWAOEONSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001483060298 941817508 /nfs/dbraw/zinc/81/75/08/941817508.db2.gz HWGKLRGFZQBLNL-JKWAOEONSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483137601 941903155 /nfs/dbraw/zinc/90/31/55/941903155.db2.gz RCVNOZLDPUXVRX-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483137601 941903158 /nfs/dbraw/zinc/90/31/58/941903158.db2.gz RCVNOZLDPUXVRX-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483161112 941916442 /nfs/dbraw/zinc/91/64/42/941916442.db2.gz VPHORSOFXYMHHS-IPYPFGDCSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483161112 941916444 /nfs/dbraw/zinc/91/64/44/941916444.db2.gz VPHORSOFXYMHHS-IPYPFGDCSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001483228940 941953486 /nfs/dbraw/zinc/95/34/86/941953486.db2.gz SPZAGXQSCHNGND-GXFFZTMASA-N 1 3 306.414 0.049 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409372829 941969363 /nfs/dbraw/zinc/96/93/63/941969363.db2.gz LCAOAJJMSTXGDE-KBPBESRZSA-N 1 3 324.469 0.622 20 0 DCADHO CN(CCC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)Cc1c[nH]cn1 ZINC001483495397 942387120 /nfs/dbraw/zinc/38/71/20/942387120.db2.gz YOGKENDIDDCREA-CYBMUJFWSA-N 1 3 321.425 0.307 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001127066024 942423008 /nfs/dbraw/zinc/42/30/08/942423008.db2.gz HQDROZJLFPHJOM-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001127066024 942423013 /nfs/dbraw/zinc/42/30/13/942423013.db2.gz HQDROZJLFPHJOM-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC/C=C/Cl)CC[N@@H+]1C ZINC001272426932 942748302 /nfs/dbraw/zinc/74/83/02/942748302.db2.gz YDEJPNYSJDMHRI-MQGFNKPDSA-N 1 3 303.834 0.536 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC/C=C/Cl)CC[N@H+]1C ZINC001272426932 942748304 /nfs/dbraw/zinc/74/83/04/942748304.db2.gz YDEJPNYSJDMHRI-MQGFNKPDSA-N 1 3 303.834 0.536 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CCc1ccccc1 ZINC001272566704 942830240 /nfs/dbraw/zinc/83/02/40/942830240.db2.gz BXKPBLPJKMTNNG-HNNXBMFYSA-N 1 3 316.405 0.570 20 0 DCADHO C[C@@H](NC1(CNC(=O)CC2CC[NH+](C)CC2)CC1)C(=O)N(C)C ZINC001483772952 942934519 /nfs/dbraw/zinc/93/45/19/942934519.db2.gz FHKBWBHZGFVZJC-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+]1CCCCC1 ZINC001483929599 943030369 /nfs/dbraw/zinc/03/03/69/943030369.db2.gz MRLXERVYOWPQKK-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCC2)CCC1 ZINC001484000435 943079822 /nfs/dbraw/zinc/07/98/22/943079822.db2.gz FWWQANQHFHDPSG-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)N2CCC2)C1 ZINC001484124161 943156216 /nfs/dbraw/zinc/15/62/16/943156216.db2.gz GSVXXFDHNGQCGQ-QGZVFWFLSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CC(C[NH2+]CCN(CCO)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001484493345 943421399 /nfs/dbraw/zinc/42/13/99/943421399.db2.gz DWFZNXFFZGEESD-QQFBHYJXSA-N 1 3 311.470 0.785 20 0 DCADHO Cn1nncc1CNCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484548347 943449069 /nfs/dbraw/zinc/44/90/69/943449069.db2.gz BVORDIKSJXUQKE-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1nncc1CNCC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484548347 943449070 /nfs/dbraw/zinc/44/90/70/943449070.db2.gz BVORDIKSJXUQKE-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCc2cncn2C)C1 ZINC001484693733 943514050 /nfs/dbraw/zinc/51/40/50/943514050.db2.gz JBEJMWGRXUTYTD-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCc2cncn2C)C1 ZINC001484693733 943514055 /nfs/dbraw/zinc/51/40/55/943514055.db2.gz JBEJMWGRXUTYTD-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO COc1ccc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cn1 ZINC001484896945 943620208 /nfs/dbraw/zinc/62/02/08/943620208.db2.gz FBGKDUXAYJZAEK-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001484905898 943621879 /nfs/dbraw/zinc/62/18/79/943621879.db2.gz POFVASSFYKEISO-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)NC1(CO)CC[NH+]([C@@H](C)COC)CC1)N(C)C ZINC001485019190 943658497 /nfs/dbraw/zinc/65/84/97/943658497.db2.gz FIFRGBPYSZCNBM-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001490957712 943688300 /nfs/dbraw/zinc/68/83/00/943688300.db2.gz ALAKRBVVKXMBQR-AJNGGQMLSA-N 1 3 324.469 0.574 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001485158053 943730309 /nfs/dbraw/zinc/73/03/09/943730309.db2.gz WZJAHKPDQZUAKA-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001491141226 943788009 /nfs/dbraw/zinc/78/80/09/943788009.db2.gz FPJNGXINBJJDPW-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001491322370 943915998 /nfs/dbraw/zinc/91/59/98/943915998.db2.gz KUTQKFBGWWOMMB-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001491322370 943916001 /nfs/dbraw/zinc/91/60/01/943916001.db2.gz KUTQKFBGWWOMMB-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)CCc1ccnn1C ZINC001485388977 943917409 /nfs/dbraw/zinc/91/74/09/943917409.db2.gz PRDPBMNHRXAGMH-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)CCc1ccnn1C ZINC001485388977 943917417 /nfs/dbraw/zinc/91/74/17/943917417.db2.gz PRDPBMNHRXAGMH-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485462300 943950998 /nfs/dbraw/zinc/95/09/98/943950998.db2.gz DPCIHLMLSNRVRR-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001491476859 944029675 /nfs/dbraw/zinc/02/96/75/944029675.db2.gz DDYPCABZKAUXPI-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccnn1C ZINC001491486432 944036409 /nfs/dbraw/zinc/03/64/09/944036409.db2.gz IESJYJXKWBYPRU-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccnn1C ZINC001491486432 944036418 /nfs/dbraw/zinc/03/64/18/944036418.db2.gz IESJYJXKWBYPRU-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](NCc1cncn1C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485642945 944060364 /nfs/dbraw/zinc/06/03/64/944060364.db2.gz GJJJMBSFZGCGCZ-HIFRSBDPSA-N 1 3 323.441 0.077 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001203010511 944142682 /nfs/dbraw/zinc/14/26/82/944142682.db2.gz PHQAUZJMIXWYOD-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CCOC(=O)c1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)nc1 ZINC001205249785 944187410 /nfs/dbraw/zinc/18/74/10/944187410.db2.gz ZSFYVNKUSXSZIP-INIZCTEOSA-N 1 3 307.394 0.934 20 0 DCADHO COCCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001276802759 944304671 /nfs/dbraw/zinc/30/46/71/944304671.db2.gz VVRUTHSQPQZXLC-TZMCWYRMSA-N 1 3 310.398 0.194 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485944034 944424633 /nfs/dbraw/zinc/42/46/33/944424633.db2.gz JNWYFDBDMRUTOR-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316840335 944591768 /nfs/dbraw/zinc/59/17/68/944591768.db2.gz ODWQPMYYQFNSMT-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001316882682 944612412 /nfs/dbraw/zinc/61/24/12/944612412.db2.gz UHNGTGBHAJPSPL-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001277046351 944639486 /nfs/dbraw/zinc/63/94/86/944639486.db2.gz OWTIFEWULZRXGF-KLHDSHLOSA-N 1 3 311.470 0.974 20 0 DCADHO CC[C@H](C(N)=O)N(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001316926566 944654129 /nfs/dbraw/zinc/65/41/29/944654129.db2.gz KJQCDAJORVUAEL-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(N)=O)N(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001316926566 944654133 /nfs/dbraw/zinc/65/41/33/944654133.db2.gz KJQCDAJORVUAEL-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1cncc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001486316759 944762431 /nfs/dbraw/zinc/76/24/31/944762431.db2.gz ICFAWKAFFFSXCJ-HOTGVXAUSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1cncc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001486316759 944762439 /nfs/dbraw/zinc/76/24/39/944762439.db2.gz ICFAWKAFFFSXCJ-HOTGVXAUSA-N 1 3 320.437 0.251 20 0 DCADHO C[NH+](C)CCN1CC2(C1)CCN(CC(=O)N1CCCC1)CC2 ZINC001277518524 944857983 /nfs/dbraw/zinc/85/79/83/944857983.db2.gz YKJPWROLDPSHSA-UHFFFAOYSA-N 1 3 308.470 0.568 20 0 DCADHO CN(C)C(=O)CC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277636597 944920508 /nfs/dbraw/zinc/92/05/08/944920508.db2.gz LFDNFYRKKBBTHQ-GASCZTMLSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277636597 944920511 /nfs/dbraw/zinc/92/05/11/944920511.db2.gz LFDNFYRKKBBTHQ-GASCZTMLSA-N 1 3 324.469 0.197 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317433246 944968909 /nfs/dbraw/zinc/96/89/09/944968909.db2.gz CELUFIVDOAMOEJ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317433246 944968911 /nfs/dbraw/zinc/96/89/11/944968911.db2.gz CELUFIVDOAMOEJ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO COCCN(C)C(=O)[C@]12C[C@H]1CCN2CC1CC[NH+](C)CC1 ZINC001277797751 944983462 /nfs/dbraw/zinc/98/34/62/944983462.db2.gz VWXOMDHUMQELMZ-WBVHZDCISA-N 1 3 309.454 0.897 20 0 DCADHO O=C(CN[C@H]1CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC001246361542 945394629 /nfs/dbraw/zinc/39/46/29/945394629.db2.gz ZRJFNMQJJOKUSJ-HNNXBMFYSA-N 1 3 308.470 0.805 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001246412407 945406956 /nfs/dbraw/zinc/40/69/56/945406956.db2.gz COVRHHLNXNUTJW-JTQLQIEISA-N 1 3 324.347 0.112 20 0 DCADHO Cc1cccnc1N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246528373 945425642 /nfs/dbraw/zinc/42/56/42/945425642.db2.gz WXBJNUGKLLXVHW-OAHLLOKOSA-N 1 3 301.438 0.606 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]CCO)CCCC[C@@H]1C ZINC001318757049 945439755 /nfs/dbraw/zinc/43/97/55/945439755.db2.gz GFUUAOQTYINLOE-LRDDRELGSA-N 1 3 308.426 0.908 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001318780985 945444028 /nfs/dbraw/zinc/44/40/28/945444028.db2.gz MCGVJCHSXUMRSY-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO COC[C@@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001318835971 945449511 /nfs/dbraw/zinc/44/95/11/945449511.db2.gz KAKARZRUZBMIEE-HIFRSBDPSA-N 1 3 324.425 0.178 20 0 DCADHO CN(C)C(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001318875941 945456362 /nfs/dbraw/zinc/45/63/62/945456362.db2.gz YTLCLQREKSOJDZ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO O=C([C@@H]1COC[C@H]2C[N@@H+](C3CCNCC3)C[C@H]21)N1CCCCO1 ZINC001246697549 945461967 /nfs/dbraw/zinc/46/19/67/945461967.db2.gz BCEFUKQQXDGHKK-FVQBIDKESA-N 1 3 323.437 0.487 20 0 DCADHO O=C([C@@H]1COC[C@H]2C[N@H+](C3CCNCC3)C[C@H]21)N1CCCCO1 ZINC001246697549 945461972 /nfs/dbraw/zinc/46/19/72/945461972.db2.gz BCEFUKQQXDGHKK-FVQBIDKESA-N 1 3 323.437 0.487 20 0 DCADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCN[C@@H](C)C2)O1 ZINC001246705184 945465506 /nfs/dbraw/zinc/46/55/06/945465506.db2.gz XORMBSZOJHOTJX-JARUQAPTSA-N 1 3 311.426 0.121 20 0 DCADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCN[C@@H](C)C2)O1 ZINC001246705184 945465509 /nfs/dbraw/zinc/46/55/09/945465509.db2.gz XORMBSZOJHOTJX-JARUQAPTSA-N 1 3 311.426 0.121 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CCN1 ZINC001246707438 945468459 /nfs/dbraw/zinc/46/84/59/945468459.db2.gz VOLMOVVKCIEJMP-DMRKSPOLSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)CCN1 ZINC001246707438 945468463 /nfs/dbraw/zinc/46/84/63/945468463.db2.gz VOLMOVVKCIEJMP-DMRKSPOLSA-N 1 3 321.465 0.944 20 0 DCADHO c1cnn(-c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)c1 ZINC001247852454 945578002 /nfs/dbraw/zinc/57/80/02/945578002.db2.gz UHIDBDKXTGNBQB-UHFFFAOYSA-N 1 3 322.372 0.983 20 0 DCADHO COCCN(C(=S)NCC[NH+](C)C)C1CCN(C)CC1 ZINC001249833633 945647732 /nfs/dbraw/zinc/64/77/32/945647732.db2.gz FWUKZYOWFMZNPX-UHFFFAOYSA-N 1 3 302.488 0.465 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001320446593 945882091 /nfs/dbraw/zinc/88/20/91/945882091.db2.gz OPZZTWCHPPKKOR-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253160365 946075625 /nfs/dbraw/zinc/07/56/25/946075625.db2.gz NPEXGZMJUREILD-IRXDYDNUSA-N 1 3 322.449 0.893 20 0 DCADHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253160365 946075638 /nfs/dbraw/zinc/07/56/38/946075638.db2.gz NPEXGZMJUREILD-IRXDYDNUSA-N 1 3 322.449 0.893 20 0 DCADHO CC(C)[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001253759577 946177347 /nfs/dbraw/zinc/17/73/47/946177347.db2.gz KNHZCHJGDOSWIC-QGZVFWFLSA-N 1 3 321.465 0.827 20 0 DCADHO CC(C)[C@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001253759577 946177353 /nfs/dbraw/zinc/17/73/53/946177353.db2.gz KNHZCHJGDOSWIC-QGZVFWFLSA-N 1 3 321.465 0.827 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cncnc3)C2)C1=O ZINC001273257998 946318013 /nfs/dbraw/zinc/31/80/13/946318013.db2.gz UMFMCRAZWSVPRZ-INIZCTEOSA-N 1 3 303.410 0.463 20 0 DCADHO NCCC[NH2+]CCCCn1cc(-c2cn3ccnc3cn2)nn1 ZINC001254163201 946327237 /nfs/dbraw/zinc/32/72/37/946327237.db2.gz NXBPUDLQBHWSCA-UHFFFAOYSA-N 1 3 314.397 0.706 20 0 DCADHO C[N@@H+]1CCC[C@H](N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC1 ZINC001254518133 946402649 /nfs/dbraw/zinc/40/26/49/946402649.db2.gz KMYLCMMURXXIBB-XHSDSOJGSA-N 1 3 317.437 0.850 20 0 DCADHO C[N@H+]1CCC[C@H](N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC1 ZINC001254518133 946402658 /nfs/dbraw/zinc/40/26/58/946402658.db2.gz KMYLCMMURXXIBB-XHSDSOJGSA-N 1 3 317.437 0.850 20 0 DCADHO COc1cccc(OC)c1CN1CCC([NH2+]C[C@@H](O)CN)CC1 ZINC001255921690 946562702 /nfs/dbraw/zinc/56/27/02/946562702.db2.gz JZYZRUUIPAAOBY-AWEZNQCLSA-N 1 3 323.437 0.577 20 0 DCADHO CN(C)Cc1ccsc1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001410636388 946688813 /nfs/dbraw/zinc/68/88/13/946688813.db2.gz DZXBMXZYXYCLQI-LLVKDONJSA-N 1 3 303.403 0.460 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)[C@H]1CCCN1C ZINC001322649346 946757313 /nfs/dbraw/zinc/75/73/13/946757313.db2.gz VIADBNWBQISEDW-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001410851927 947028776 /nfs/dbraw/zinc/02/87/76/947028776.db2.gz MACJXTSOTZWOQY-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CNCC(=O)N(C)C)C(C)(C)C ZINC001411211619 947493698 /nfs/dbraw/zinc/49/36/98/947493698.db2.gz CBOLJBIHBABWAJ-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CNCC(=O)N(C)C)C(C)(C)C ZINC001411211619 947493702 /nfs/dbraw/zinc/49/37/02/947493702.db2.gz CBOLJBIHBABWAJ-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC001325345951 947762593 /nfs/dbraw/zinc/76/25/93/947762593.db2.gz JRSWJAVPWNYTQC-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH2+]CCCCC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001263099214 947807180 /nfs/dbraw/zinc/80/71/80/947807180.db2.gz BNRWHEZNVSQGEO-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325514095 947823374 /nfs/dbraw/zinc/82/33/74/947823374.db2.gz ZPLQPWFRIJLFOU-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001179472573 947849524 /nfs/dbraw/zinc/84/95/24/947849524.db2.gz OOKAEONLXJBVTP-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001179586403 947869966 /nfs/dbraw/zinc/86/99/66/947869966.db2.gz NWRQQSIYHQEPCT-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO O=C(N(CCO)CCNC/C=C/Cl)C12CC[NH+](CC1)C2 ZINC001326134472 948065240 /nfs/dbraw/zinc/06/52/40/948065240.db2.gz FWPIYXNUSZVLQU-DAFODLJHSA-N 1 3 301.818 0.245 20 0 DCADHO CC[C@@H](C(N)=O)N(CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265120870 949330596 /nfs/dbraw/zinc/33/05/96/949330596.db2.gz BUAYJMQPRGMFPX-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CCN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001265137373 949351093 /nfs/dbraw/zinc/35/10/93/949351093.db2.gz SUMKINWZWNQQAS-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H](C)C(=O)N(C)C ZINC001266028023 950270580 /nfs/dbraw/zinc/27/05/80/950270580.db2.gz GKHISWXMWNKPIF-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H](C)C(=O)N(C)C ZINC001266028023 950270602 /nfs/dbraw/zinc/27/06/02/950270602.db2.gz GKHISWXMWNKPIF-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)CCOCCO)C1 ZINC001266120192 950390148 /nfs/dbraw/zinc/39/01/48/950390148.db2.gz VFARLMLEDKVORD-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001266120192 950390169 /nfs/dbraw/zinc/39/01/69/950390169.db2.gz VFARLMLEDKVORD-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001279717245 950678798 /nfs/dbraw/zinc/67/87/98/950678798.db2.gz LQAQVBCZZKDOMR-CABCVRRESA-N 1 3 315.433 0.487 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001280297897 950808772 /nfs/dbraw/zinc/80/87/72/950808772.db2.gz YWAOXOXXLKPBPA-CVEARBPZSA-N 1 3 309.454 0.947 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC/C=C\Cl)C2)CC[N@@H+]1C ZINC001280581601 950965563 /nfs/dbraw/zinc/96/55/63/950965563.db2.gz CRRQJKKBTRLSMF-PLZCLPNRSA-N 1 3 315.845 0.896 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC/C=C\Cl)C2)CC[N@H+]1C ZINC001280581601 950965579 /nfs/dbraw/zinc/96/55/79/950965579.db2.gz CRRQJKKBTRLSMF-PLZCLPNRSA-N 1 3 315.845 0.896 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001331600023 951188803 /nfs/dbraw/zinc/18/88/03/951188803.db2.gz GQAXEFUXQZLPMW-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCNC3=O)CC2)CC1 ZINC001331939023 951399293 /nfs/dbraw/zinc/39/92/93/951399293.db2.gz LNEAGKDTEJBQGK-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1nc2c(c1C[NH2+]CCCCN1CCN(C)CC1)COCC2 ZINC001332300277 951573477 /nfs/dbraw/zinc/57/34/77/951573477.db2.gz VQTKQOSDFXURDB-UHFFFAOYSA-N 1 3 321.469 0.610 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001365875775 951639113 /nfs/dbraw/zinc/63/91/13/951639113.db2.gz NZVBBTGKQIEQEE-FZKCQIBNSA-N 1 3 309.454 0.489 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001365875775 951639120 /nfs/dbraw/zinc/63/91/20/951639120.db2.gz NZVBBTGKQIEQEE-FZKCQIBNSA-N 1 3 309.454 0.489 20 0 DCADHO CC(=O)N1CCC[C@H](CN2CC3(CN(CC[NH+](C)C)C3)C2)C1 ZINC001274919099 951895397 /nfs/dbraw/zinc/89/53/97/951895397.db2.gz JYGNDCNXOGVRIA-MRXNPFEDSA-N 1 3 308.470 0.424 20 0 DCADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](C[C@H]1CCOC1)CC2 ZINC001275169215 951983101 /nfs/dbraw/zinc/98/31/01/951983101.db2.gz RILNBKSBBUSUFV-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1cc[nH]n1)CC2 ZINC001275203193 952004349 /nfs/dbraw/zinc/00/43/49/952004349.db2.gz WXGZEHXAIQHTOD-UHFFFAOYSA-N 1 3 305.426 0.786 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1cc[nH]n1)CC2 ZINC001275203193 952004355 /nfs/dbraw/zinc/00/43/55/952004355.db2.gz WXGZEHXAIQHTOD-UHFFFAOYSA-N 1 3 305.426 0.786 20 0 DCADHO CN(CCC[NH2+]CC(=O)Nc1ccon1)C(=O)[C@H]1CCCN1C ZINC001275916041 952520597 /nfs/dbraw/zinc/52/05/97/952520597.db2.gz UBRCZZNVYZZOSZ-GFCCVEGCSA-N 1 3 323.397 0.145 20 0 DCADHO CC(C)C[N@H+](C)CCCNC[C@H](O)CN1CCN(C)CC1 ZINC001335461554 952539521 /nfs/dbraw/zinc/53/95/21/952539521.db2.gz XCBCWBGDYXZHEO-INIZCTEOSA-N 1 3 300.491 0.162 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC[C@H](O)CN1CCN(C)CC1 ZINC001335461554 952539525 /nfs/dbraw/zinc/53/95/25/952539525.db2.gz XCBCWBGDYXZHEO-INIZCTEOSA-N 1 3 300.491 0.162 20 0 DCADHO CN(C)CCN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC001412308654 952743168 /nfs/dbraw/zinc/74/31/68/952743168.db2.gz JMEDKHVMOBXYIC-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CC[C@@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001412540775 952880261 /nfs/dbraw/zinc/88/02/61/952880261.db2.gz JXKRVWXATXXGOI-JKSUJKDBSA-N 1 3 308.470 0.708 20 0 DCADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC(N[C@@H]2CCOC2)C1 ZINC001412692932 953001161 /nfs/dbraw/zinc/00/11/61/953001161.db2.gz JSISSOKNQZIRER-CZUORRHYSA-N 1 3 307.438 0.983 20 0 DCADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC(N[C@@H]2CCOC2)C1 ZINC001412692932 953001163 /nfs/dbraw/zinc/00/11/63/953001163.db2.gz JSISSOKNQZIRER-CZUORRHYSA-N 1 3 307.438 0.983 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC(N[C@H]4CCOC4)C3)C[N@@H+]2C1 ZINC001412704794 953007130 /nfs/dbraw/zinc/00/71/30/953007130.db2.gz YNSHWWIWIKCOMD-HOSILWTGSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC(N[C@H]4CCOC4)C3)C[N@H+]2C1 ZINC001412704794 953007133 /nfs/dbraw/zinc/00/71/33/953007133.db2.gz YNSHWWIWIKCOMD-HOSILWTGSA-N 1 3 307.438 0.696 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001342602934 953298183 /nfs/dbraw/zinc/29/81/83/953298183.db2.gz KJEFFZICAJLKMA-QGZVFWFLSA-N 1 3 318.465 0.748 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC[NH+](C[C@@H](O)COC)CC1)N(C)C ZINC001365918896 953409259 /nfs/dbraw/zinc/40/92/59/953409259.db2.gz HVHLXCRYUXFAJY-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)CNC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001366078689 953656731 /nfs/dbraw/zinc/65/67/31/953656731.db2.gz NXEWYITWEVPKEJ-LSDHHAIUSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CNC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001366078689 953656739 /nfs/dbraw/zinc/65/67/39/953656739.db2.gz NXEWYITWEVPKEJ-LSDHHAIUSA-N 1 3 324.469 0.195 20 0 DCADHO CN(C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001366099613 953682096 /nfs/dbraw/zinc/68/20/96/953682096.db2.gz SDNBMVXXBIDKEJ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)ncn1 ZINC001366119599 953709293 /nfs/dbraw/zinc/70/92/93/953709293.db2.gz HTPJNFFSBKBBCP-HDJSIYSDSA-N 1 3 317.437 0.864 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001366155122 953750612 /nfs/dbraw/zinc/75/06/12/953750612.db2.gz KGLUAWSQYOXPPA-LJISPDSOSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001366160628 953757250 /nfs/dbraw/zinc/75/72/50/953757250.db2.gz STFNOAXAZDIQSR-RQJABVFESA-N 1 3 320.441 0.342 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001366199260 953809918 /nfs/dbraw/zinc/80/99/18/953809918.db2.gz GCHVYGKVXPLQDS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001366215528 953837991 /nfs/dbraw/zinc/83/79/91/953837991.db2.gz GSTFHMWMHHIQID-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001366324089 954023547 /nfs/dbraw/zinc/02/35/47/954023547.db2.gz MKMCODOLQQBIGQ-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001366432601 954190937 /nfs/dbraw/zinc/19/09/37/954190937.db2.gz OGKSFAGPFDQFPN-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001366432608 954191101 /nfs/dbraw/zinc/19/11/01/954191101.db2.gz OGKSFAGPFDQFPN-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001366436614 954193210 /nfs/dbraw/zinc/19/32/10/954193210.db2.gz OUQTXXBLRHBWKC-RBSFLKMASA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001366436614 954193221 /nfs/dbraw/zinc/19/32/21/954193221.db2.gz OUQTXXBLRHBWKC-RBSFLKMASA-N 1 3 315.458 0.257 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366438823 954196613 /nfs/dbraw/zinc/19/66/13/954196613.db2.gz RLWNASSWPMWFME-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366707579 954687993 /nfs/dbraw/zinc/68/79/93/954687993.db2.gz PDVDPWBZAHSLFY-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366707579 954688000 /nfs/dbraw/zinc/68/80/00/954688000.db2.gz PDVDPWBZAHSLFY-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001366782420 954838701 /nfs/dbraw/zinc/83/87/01/954838701.db2.gz LRAORSZHRAWPJO-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+]1CCC(OCC(=O)NCC[C@@H]2CCN(CCF)C2)CC1 ZINC001366845477 954926154 /nfs/dbraw/zinc/92/61/54/954926154.db2.gz OBSNWYAOIMDASN-CQSZACIVSA-N 1 3 315.433 0.895 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001366882360 954987117 /nfs/dbraw/zinc/98/71/17/954987117.db2.gz WMFQCSILUZXYIB-UHFFFAOYSA-N 1 3 324.469 0.374 20 0 DCADHO CCCN(C)CC(=O)NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001366986459 955156188 /nfs/dbraw/zinc/15/61/88/955156188.db2.gz RZKZYBRVIPXSIE-RDJZCZTQSA-N 1 3 309.454 0.803 20 0 DCADHO CN(CCNC(=O)CCCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001284561828 955176994 /nfs/dbraw/zinc/17/69/94/955176994.db2.gz ZAIYTQWNTNYDHR-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001367095568 955308152 /nfs/dbraw/zinc/30/81/52/955308152.db2.gz FLEMUSULWKMNPG-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC(=O)NC ZINC001367131928 955371139 /nfs/dbraw/zinc/37/11/39/955371139.db2.gz VLITXHIUKYRLRK-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367136112 955376512 /nfs/dbraw/zinc/37/65/12/955376512.db2.gz ILSQKEVIKDZZEV-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001367192758 955450763 /nfs/dbraw/zinc/45/07/63/955450763.db2.gz WXWQADULODSQPT-JHJVBQTASA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001367243131 955516801 /nfs/dbraw/zinc/51/68/01/955516801.db2.gz MWZGXEOPJBVBLF-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001285575007 955808408 /nfs/dbraw/zinc/80/84/08/955808408.db2.gz MRYPZBGPMNAVIF-LFAOLKIESA-N 1 3 324.469 0.601 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001285585131 955814198 /nfs/dbraw/zinc/81/41/98/955814198.db2.gz KVQUCYLPBXDFTF-IDTUSYRASA-N 1 3 324.469 0.457 20 0 DCADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001355281492 956625897 /nfs/dbraw/zinc/62/58/97/956625897.db2.gz XXAZYKNAZXBDIH-HUUCEWRRSA-N 1 3 317.499 0.427 20 0 DCADHO N[C@@H](Cc1cc2ccccc2o1)C(=O)N1CCNCC[NH2+]CC1 ZINC001358224806 957437452 /nfs/dbraw/zinc/43/74/52/957437452.db2.gz UWAMZXICPAITGX-HNNXBMFYSA-N 1 3 316.405 0.324 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1CNCc1ccn(C)n1 ZINC001446975729 1013157321 /nfs/dbraw/zinc/15/73/21/1013157321.db2.gz VJQKRTUREDSNLI-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CN(CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)CC(N)=O ZINC001367447882 957817478 /nfs/dbraw/zinc/81/74/78/957817478.db2.gz ISDTZWJFLGXING-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO CN(CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)CC(N)=O ZINC001367447882 957817490 /nfs/dbraw/zinc/81/74/90/957817490.db2.gz ISDTZWJFLGXING-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC1CCCCC1 ZINC001367630306 958224910 /nfs/dbraw/zinc/22/49/10/958224910.db2.gz YZFVDAWDGRQPHJ-AWEZNQCLSA-N 1 3 308.426 0.908 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1c(C)noc1C(C)C ZINC001367673417 958329724 /nfs/dbraw/zinc/32/97/24/958329724.db2.gz DKUMMPKTPNLTBW-SNVBAGLBSA-N 1 3 310.398 0.950 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)c1cc(F)ccc1F ZINC001367673899 958330869 /nfs/dbraw/zinc/33/08/69/958330869.db2.gz BAOBWMZBSQBDBV-NOZJJQNGSA-N 1 3 311.332 0.903 20 0 DCADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)cn1 ZINC001361832654 958383265 /nfs/dbraw/zinc/38/32/65/958383265.db2.gz JEWCUOOMFJNPMT-HNNXBMFYSA-N 1 3 305.426 0.119 20 0 DCADHO CN1CCN(C)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC001361832654 958383275 /nfs/dbraw/zinc/38/32/75/958383275.db2.gz JEWCUOOMFJNPMT-HNNXBMFYSA-N 1 3 305.426 0.119 20 0 DCADHO CC[C@H](NC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001367708062 958413580 /nfs/dbraw/zinc/41/35/80/958413580.db2.gz OWPONNIYBHDHQD-OCCSQVGLSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001367771950 958541172 /nfs/dbraw/zinc/54/11/72/958541172.db2.gz RYCOBJOLEBUWAM-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C2CC2)cn1 ZINC001367912126 958845380 /nfs/dbraw/zinc/84/53/80/958845380.db2.gz VMLOMIVGFAEXSD-OAHLLOKOSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCn1cncn1 ZINC001376818303 958913434 /nfs/dbraw/zinc/91/34/34/958913434.db2.gz DQHHIZYTNZAQQP-GJZGRUSLSA-N 1 3 322.457 0.637 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001376850732 958979976 /nfs/dbraw/zinc/97/99/76/958979976.db2.gz RADQLWAYKACNKN-BBRMVZONSA-N 1 3 322.453 0.566 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001376881491 959052346 /nfs/dbraw/zinc/05/23/46/959052346.db2.gz PSJYDTWKGOLSOC-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NCC(C)(C)C)C2)C1 ZINC001376917929 959136685 /nfs/dbraw/zinc/13/66/85/959136685.db2.gz GLEYBDZXEINRIN-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NCC(C)(C)C)C2)C1 ZINC001376917929 959136696 /nfs/dbraw/zinc/13/66/96/959136696.db2.gz GLEYBDZXEINRIN-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC(=O)NCCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001491735168 959163111 /nfs/dbraw/zinc/16/31/11/959163111.db2.gz KQZPEIHAEQVONK-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001491735168 959163118 /nfs/dbraw/zinc/16/31/18/959163118.db2.gz KQZPEIHAEQVONK-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001376996920 959286841 /nfs/dbraw/zinc/28/68/41/959286841.db2.gz ANWZXDBPCDBOIW-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001376996920 959286857 /nfs/dbraw/zinc/28/68/57/959286857.db2.gz ANWZXDBPCDBOIW-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO COc1cncc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCN2C)n1 ZINC001377009822 959308241 /nfs/dbraw/zinc/30/82/41/959308241.db2.gz GPFXUEHFALRTRQ-OCCSQVGLSA-N 1 3 321.425 0.564 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001368161969 959372602 /nfs/dbraw/zinc/37/26/02/959372602.db2.gz HHGWUZGTVLJWJT-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]C[C@H](C)OC)CCOCC1)N(C)C ZINC001368231372 959472272 /nfs/dbraw/zinc/47/22/72/959472272.db2.gz PPYHYQJUTZKIGB-UONOGXRCSA-N 1 3 315.458 0.617 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001368346887 959705424 /nfs/dbraw/zinc/70/54/24/959705424.db2.gz FPOBHKPJANWFIS-CABCVRRESA-N 1 3 321.469 0.944 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)CCc1cnn(C)c1)C1CCC1 ZINC001492279355 959795080 /nfs/dbraw/zinc/79/50/80/959795080.db2.gz DJTRWBMRQQFKGD-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)CCc1cnn(C)c1)C1CCC1 ZINC001492279355 959795085 /nfs/dbraw/zinc/79/50/85/959795085.db2.gz DJTRWBMRQQFKGD-UHFFFAOYSA-N 1 3 307.442 0.495 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001377299091 959886082 /nfs/dbraw/zinc/88/60/82/959886082.db2.gz OVEUEDDQECJYIV-MGPQQGTHSA-N 1 3 314.474 0.534 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CCn2cncn2)CC1 ZINC001377305061 959895726 /nfs/dbraw/zinc/89/57/26/959895726.db2.gz XSSAMNCZYSJYMO-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001377335776 959940304 /nfs/dbraw/zinc/94/03/04/959940304.db2.gz KODZOXMIBPMYBT-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001377335776 959940310 /nfs/dbraw/zinc/94/03/10/959940310.db2.gz KODZOXMIBPMYBT-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001368499249 959944402 /nfs/dbraw/zinc/94/44/02/959944402.db2.gz ABXYWHHOWZAQOO-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC(O)(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC001336781146 960009762 /nfs/dbraw/zinc/00/97/62/960009762.db2.gz UDXWFVAJAHPXRQ-SECBINFHSA-N 1 3 320.302 0.981 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1nccn1C ZINC001377430813 960089149 /nfs/dbraw/zinc/08/91/49/960089149.db2.gz ATYZAWATLFQFFI-BFHYXJOUSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1nccn1C ZINC001377430813 960089159 /nfs/dbraw/zinc/08/91/59/960089159.db2.gz ATYZAWATLFQFFI-BFHYXJOUSA-N 1 3 307.442 0.745 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001368725086 960198138 /nfs/dbraw/zinc/19/81/38/960198138.db2.gz DBNNLOLYMUKVLE-XQQFMLRXSA-N 1 3 300.447 0.192 20 0 DCADHO C[C@H](NCCN(C)C(=O)CCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001377580506 960314503 /nfs/dbraw/zinc/31/45/03/960314503.db2.gz MCXWQATUFNZNJW-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001377606674 960348794 /nfs/dbraw/zinc/34/87/94/960348794.db2.gz YTXZJMXHEBZKFB-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)C ZINC001378312905 960564802 /nfs/dbraw/zinc/56/48/02/960564802.db2.gz BWSJWUXLFIIVHP-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)C ZINC001378312905 960564816 /nfs/dbraw/zinc/56/48/16/960564816.db2.gz BWSJWUXLFIIVHP-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCN1CC[C@@H](F)C1 ZINC001363230680 960655825 /nfs/dbraw/zinc/65/58/25/960655825.db2.gz GSACLADDCWWYAQ-LSDHHAIUSA-N 1 3 316.465 0.809 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377832461 960764330 /nfs/dbraw/zinc/76/43/30/960764330.db2.gz VXJAWXJPJBNGQE-UONOGXRCSA-N 1 3 321.469 0.930 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001377910691 960960336 /nfs/dbraw/zinc/96/03/36/960960336.db2.gz NHDVPMWBSGNOHR-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cnc(C)nc1)N(C)C ZINC001378614436 961129718 /nfs/dbraw/zinc/12/97/18/961129718.db2.gz MUDKFHSDGQGTKU-WFASDCNBSA-N 1 3 307.442 0.967 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2CNCCO2)C[C@@H]1c1ccccc1F ZINC001549033323 1013238720 /nfs/dbraw/zinc/23/87/20/1013238720.db2.gz XWBPYHMPGHAWNZ-UXIGCNINSA-N 1 3 307.369 0.457 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001549046911 1013246041 /nfs/dbraw/zinc/24/60/41/1013246041.db2.gz CVZXQIQQHHAYPU-GXTWGEPZSA-N 1 3 306.414 0.433 20 0 DCADHO C[C@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)[C@H]1CCCCN1C ZINC001378793672 961488086 /nfs/dbraw/zinc/48/80/86/961488086.db2.gz TZSZUIPKXPAJBE-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001378145625 961523425 /nfs/dbraw/zinc/52/34/25/961523425.db2.gz IGUBLBIYJBDJLH-ZIAGYGMSSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001378145625 961523435 /nfs/dbraw/zinc/52/34/35/961523435.db2.gz IGUBLBIYJBDJLH-ZIAGYGMSSA-N 1 3 303.422 0.581 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001378870491 961635333 /nfs/dbraw/zinc/63/53/33/961635333.db2.gz WJRVNZMDPDXXBA-DZKIICNBSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001363792888 961897825 /nfs/dbraw/zinc/89/78/25/961897825.db2.gz KPYQUZVVUXJWCJ-DGADGQDISA-N 1 3 309.454 0.915 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001363792888 961897851 /nfs/dbraw/zinc/89/78/51/961897851.db2.gz KPYQUZVVUXJWCJ-DGADGQDISA-N 1 3 309.454 0.915 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC001363792888 961897864 /nfs/dbraw/zinc/89/78/64/961897864.db2.gz KPYQUZVVUXJWCJ-DGADGQDISA-N 1 3 309.454 0.915 20 0 DCADHO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC001363792888 961897879 /nfs/dbraw/zinc/89/78/79/961897879.db2.gz KPYQUZVVUXJWCJ-DGADGQDISA-N 1 3 309.454 0.915 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001379128279 962162275 /nfs/dbraw/zinc/16/22/75/962162275.db2.gz FBHTUXQHAHMKFD-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001379128279 962162283 /nfs/dbraw/zinc/16/22/83/962162283.db2.gz FBHTUXQHAHMKFD-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001379870833 962185741 /nfs/dbraw/zinc/18/57/41/962185741.db2.gz DYLRWOXZWOYPIF-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001379144015 962192067 /nfs/dbraw/zinc/19/20/67/962192067.db2.gz GMJCJFADMKFXIV-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001379917900 962292921 /nfs/dbraw/zinc/29/29/21/962292921.db2.gz MWGVHBHWFDJZGN-ZIAGYGMSSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001379282555 962532442 /nfs/dbraw/zinc/53/24/42/962532442.db2.gz IKISUKKPEDZHGO-KGLIPLIRSA-N 1 3 310.446 0.301 20 0 DCADHO O=C(NC[C@@H](CO)NCc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001379401190 962834330 /nfs/dbraw/zinc/83/43/30/962834330.db2.gz VNDZXSQCFAALSA-DLBZAZTESA-N 1 3 317.433 0.595 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001379408266 962855791 /nfs/dbraw/zinc/85/57/91/962855791.db2.gz WRODOOVEGYFDDO-AWEZNQCLSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)c1nc(CNC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001379416298 962876652 /nfs/dbraw/zinc/87/66/52/962876652.db2.gz GZNACBKKZSANCB-GFCCVEGCSA-N 1 3 322.457 0.864 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)CCC[NH+](C)C)C(=O)NC1CC1 ZINC001380282520 962985512 /nfs/dbraw/zinc/98/55/12/962985512.db2.gz FMQGOYDVADCKDQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccnn1C ZINC001379509154 963096010 /nfs/dbraw/zinc/09/60/10/963096010.db2.gz KSNNPKYURIEUCI-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccnn1C ZINC001379509154 963096028 /nfs/dbraw/zinc/09/60/28/963096028.db2.gz KSNNPKYURIEUCI-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001379522409 963122776 /nfs/dbraw/zinc/12/27/76/963122776.db2.gz YJSOWKZPHKCWON-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001379522409 963122785 /nfs/dbraw/zinc/12/27/85/963122785.db2.gz YJSOWKZPHKCWON-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(N)=O ZINC001380680190 963485176 /nfs/dbraw/zinc/48/51/76/963485176.db2.gz JLQLNUZPVJVELZ-APIJFGDWSA-N 1 3 324.469 0.561 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(N)=O ZINC001380680190 963485182 /nfs/dbraw/zinc/48/51/82/963485182.db2.gz JLQLNUZPVJVELZ-APIJFGDWSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001380683821 963489084 /nfs/dbraw/zinc/48/90/84/963489084.db2.gz CKXHHMXTHUMZJB-KGLIPLIRSA-N 1 3 322.457 0.339 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001380785837 963581293 /nfs/dbraw/zinc/58/12/93/963581293.db2.gz YHBBBPPMRXYGEO-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001380897172 963663245 /nfs/dbraw/zinc/66/32/45/963663245.db2.gz MVBNZWKLGXPNFJ-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001380897172 963663251 /nfs/dbraw/zinc/66/32/51/963663251.db2.gz MVBNZWKLGXPNFJ-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001380939975 963697806 /nfs/dbraw/zinc/69/78/06/963697806.db2.gz RIPJKTIMZNGQCH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001380939975 963697811 /nfs/dbraw/zinc/69/78/11/963697811.db2.gz RIPJKTIMZNGQCH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCc1cnn(C)c1 ZINC001381106606 963818754 /nfs/dbraw/zinc/81/87/54/963818754.db2.gz QPRLHLUATUGWTA-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)[C@@H](C)C1 ZINC001381123694 963829712 /nfs/dbraw/zinc/82/97/12/963829712.db2.gz NZRNAHZSHKRDDU-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)N(C)C ZINC001375227254 964152650 /nfs/dbraw/zinc/15/26/50/964152650.db2.gz BHEFGADKGXQWMY-TZMCWYRMSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)(C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1)[NH+]1CCCC1 ZINC001375457253 964424859 /nfs/dbraw/zinc/42/48/59/964424859.db2.gz ZAROZDLLOMTMSE-CYBMUJFWSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001369152090 964460860 /nfs/dbraw/zinc/46/08/60/964460860.db2.gz HEKKPWWFJUFBHP-SWLSCSKDSA-N 1 3 306.410 0.958 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)C1CCC1 ZINC001369170536 964483359 /nfs/dbraw/zinc/48/33/59/964483359.db2.gz ZYWBZYGDFTZZGD-MELADBBJSA-N 1 3 322.453 0.173 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)C1CCC1 ZINC001369170536 964483367 /nfs/dbraw/zinc/48/33/67/964483367.db2.gz ZYWBZYGDFTZZGD-MELADBBJSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)[C@@H](CCNC(=O)CN1CCCC1)[NH2+]Cc1nncn1C ZINC001369200407 964519947 /nfs/dbraw/zinc/51/99/47/964519947.db2.gz UHBMCBVOWRLQBB-CQSZACIVSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001375552916 964544897 /nfs/dbraw/zinc/54/48/97/964544897.db2.gz DAQNIAXGMWDZIY-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001369249761 964595621 /nfs/dbraw/zinc/59/56/21/964595621.db2.gz SHEXMSQBESMNRU-FPMFFAJLSA-N 1 3 322.457 0.780 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001369249761 964595625 /nfs/dbraw/zinc/59/56/25/964595625.db2.gz SHEXMSQBESMNRU-FPMFFAJLSA-N 1 3 322.457 0.780 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCNC1=O ZINC001369256055 964609168 /nfs/dbraw/zinc/60/91/68/964609168.db2.gz ADXFXUVJOREICU-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)CC)N(C)C ZINC001369276761 964639565 /nfs/dbraw/zinc/63/95/65/964639565.db2.gz MYPKWSWYGKQYGW-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001373827002 964686489 /nfs/dbraw/zinc/68/64/89/964686489.db2.gz WIXMYUAMLTXTMN-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001373827002 964686501 /nfs/dbraw/zinc/68/65/01/964686501.db2.gz WIXMYUAMLTXTMN-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCCC1 ZINC001373845698 964707939 /nfs/dbraw/zinc/70/79/39/964707939.db2.gz ONKVSCGVSSTNRE-ZIAGYGMSSA-N 1 3 324.469 0.752 20 0 DCADHO CNC(=O)CNCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001373846357 964708859 /nfs/dbraw/zinc/70/88/59/964708859.db2.gz YJCFGFCYCAHFMK-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001373846357 964708865 /nfs/dbraw/zinc/70/88/65/964708865.db2.gz YJCFGFCYCAHFMK-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001373850162 964714864 /nfs/dbraw/zinc/71/48/64/964714864.db2.gz DHMVFNONLRJOSM-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001373850162 964714872 /nfs/dbraw/zinc/71/48/72/964714872.db2.gz DHMVFNONLRJOSM-ZIAGYGMSSA-N 1 3 322.453 0.507 20 0 DCADHO CNC(=O)CNC[C@@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001373877614 964745610 /nfs/dbraw/zinc/74/56/10/964745610.db2.gz IUWABCCODFMEFA-RHSMWYFYSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001373877614 964745618 /nfs/dbraw/zinc/74/56/18/964745618.db2.gz IUWABCCODFMEFA-RHSMWYFYSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(=O)NC)CC1)N(C)C ZINC001373924785 964787157 /nfs/dbraw/zinc/78/71/57/964787157.db2.gz ZPIKYSMIHXVRBA-SYQHCUMBSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001375759081 964801855 /nfs/dbraw/zinc/80/18/55/964801855.db2.gz YTTMQLDTGXJFSK-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001375761552 964808710 /nfs/dbraw/zinc/80/87/10/964808710.db2.gz GXBWIPUMHLXXON-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001369368296 964839044 /nfs/dbraw/zinc/83/90/44/964839044.db2.gz FVQMKQOGMFQXSY-QWHCGFSZSA-N 1 3 321.412 0.685 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]CC1CC(F)(F)C1 ZINC001369370680 964841723 /nfs/dbraw/zinc/84/17/23/964841723.db2.gz BLEXVLLSPFJBRF-NSHDSACASA-N 1 3 316.352 0.373 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)[C@H]1C ZINC001369390105 964879971 /nfs/dbraw/zinc/87/99/71/964879971.db2.gz KOFTXDLSLVVUEM-ZIAGYGMSSA-N 1 3 308.430 0.199 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(C)C)C[C@H]1C ZINC001369409323 964922215 /nfs/dbraw/zinc/92/22/15/964922215.db2.gz VYMKNHRBRGXEEL-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001369410048 964923494 /nfs/dbraw/zinc/92/34/94/964923494.db2.gz WYCKPZHLOSCELV-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001369410048 964923509 /nfs/dbraw/zinc/92/35/09/964923509.db2.gz WYCKPZHLOSCELV-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001369410027 964923942 /nfs/dbraw/zinc/92/39/42/964923942.db2.gz WYCKPZHLOSCELV-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001369410027 964923949 /nfs/dbraw/zinc/92/39/49/964923949.db2.gz WYCKPZHLOSCELV-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1ccnc1CNC[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001375895253 964962552 /nfs/dbraw/zinc/96/25/52/964962552.db2.gz KYWAOEWSBDYLHG-RHSMWYFYSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001375895253 964962560 /nfs/dbraw/zinc/96/25/60/964962560.db2.gz KYWAOEWSBDYLHG-RHSMWYFYSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001369439713 964978503 /nfs/dbraw/zinc/97/85/03/964978503.db2.gz ZZHRWPSCSDVNRW-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCCNC2=O)C(C)(C)C1 ZINC001369445678 964989291 /nfs/dbraw/zinc/98/92/91/964989291.db2.gz MXJAMTCOVUYALE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)CC1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001374207711 965132868 /nfs/dbraw/zinc/13/28/68/965132868.db2.gz SNTTWJLZXMEACU-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)N(C)C)C(C)(C)C ZINC001369554215 965167623 /nfs/dbraw/zinc/16/76/23/965167623.db2.gz YSEAMLVJNPHTFG-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCOC(C)C)C1)N(C)C ZINC001376097557 965192880 /nfs/dbraw/zinc/19/28/80/965192880.db2.gz VFYCDHOWDYYKNV-ZBFHGGJFSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCOC(C)C)C1)N(C)C ZINC001376097557 965192883 /nfs/dbraw/zinc/19/28/83/965192883.db2.gz VFYCDHOWDYYKNV-ZBFHGGJFSA-N 1 3 315.458 0.305 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001376113310 965214203 /nfs/dbraw/zinc/21/42/03/965214203.db2.gz IRTJNTOXTVCBMD-CVEARBPZSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374277637 965215130 /nfs/dbraw/zinc/21/51/30/965215130.db2.gz DXNNMKIHKUHVRT-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374277637 965215138 /nfs/dbraw/zinc/21/51/38/965215138.db2.gz DXNNMKIHKUHVRT-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001376153345 965295937 /nfs/dbraw/zinc/29/59/37/965295937.db2.gz MHFTZRRMCOMWDN-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001376153345 965295943 /nfs/dbraw/zinc/29/59/43/965295943.db2.gz MHFTZRRMCOMWDN-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C(C)C ZINC001374365087 965314896 /nfs/dbraw/zinc/31/48/96/965314896.db2.gz FXXFCAJMMOUZRC-ZIAGYGMSSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cn(C)nn1 ZINC001374379155 965325444 /nfs/dbraw/zinc/32/54/44/965325444.db2.gz CEKZXWACGTXJTO-TZMCWYRMSA-N 1 3 308.430 0.093 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccnn1C ZINC001374432301 965385013 /nfs/dbraw/zinc/38/50/13/965385013.db2.gz UDZSBKZFDUHIQA-OAHLLOKOSA-N 1 3 321.469 0.992 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cnn(C)c1)C(C)C)N(C)C ZINC001374443198 965396814 /nfs/dbraw/zinc/39/68/14/965396814.db2.gz HZIAISKYPHPGQV-LSDHHAIUSA-N 1 3 309.458 0.991 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001376253917 965441568 /nfs/dbraw/zinc/44/15/68/965441568.db2.gz UGIKHSJXJJCXFR-HUUCEWRRSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001447827393 1013573246 /nfs/dbraw/zinc/57/32/46/1013573246.db2.gz ZBOGPEWQOSVXLK-YMAMQOFZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](O)CCCN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001369850185 965487064 /nfs/dbraw/zinc/48/70/64/965487064.db2.gz YNPCJQFOGPLOPM-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001374535540 965498810 /nfs/dbraw/zinc/49/88/10/965498810.db2.gz GCECQIGOUXPMJA-CZUORRHYSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001374535540 965498813 /nfs/dbraw/zinc/49/88/13/965498813.db2.gz GCECQIGOUXPMJA-CZUORRHYSA-N 1 3 317.449 0.970 20 0 DCADHO COc1cccc(CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001376477282 965711393 /nfs/dbraw/zinc/71/13/93/965711393.db2.gz LDJARDPVQRXSCM-OKILXGFUSA-N 1 3 306.410 0.779 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001376482010 965718055 /nfs/dbraw/zinc/71/80/55/965718055.db2.gz ZWSJZCIHZDJWBP-BARDWOONSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374709912 965795109 /nfs/dbraw/zinc/79/51/09/965795109.db2.gz AGUBWWKAPZJULZ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374709912 965795116 /nfs/dbraw/zinc/79/51/16/965795116.db2.gz AGUBWWKAPZJULZ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001376612294 965892472 /nfs/dbraw/zinc/89/24/72/965892472.db2.gz PPOPVQSFDMLQOB-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001376612294 965892480 /nfs/dbraw/zinc/89/24/80/965892480.db2.gz PPOPVQSFDMLQOB-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001370273197 965943492 /nfs/dbraw/zinc/94/34/92/965943492.db2.gz LDBSVWGYJZABKI-CABCVRRESA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001430607504 1013621185 /nfs/dbraw/zinc/62/11/85/1013621185.db2.gz IJCOZHAAKKEVAY-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001430607504 1013621190 /nfs/dbraw/zinc/62/11/90/1013621190.db2.gz IJCOZHAAKKEVAY-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C1CC1 ZINC001376729877 966079587 /nfs/dbraw/zinc/07/95/87/966079587.db2.gz YGNUHWOGHMIQMA-SWLSCSKDSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001370396898 966080984 /nfs/dbraw/zinc/08/09/84/966080984.db2.gz YIKFSODKAIQTSG-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001370635253 966308210 /nfs/dbraw/zinc/30/82/10/966308210.db2.gz IUJMTNYWLRQBKQ-TXEJJXNPSA-N 1 3 306.414 0.036 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001381390444 966369449 /nfs/dbraw/zinc/36/94/49/966369449.db2.gz MHNFBGKYZWSHBA-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001381390418 966370239 /nfs/dbraw/zinc/37/02/39/966370239.db2.gz MHNFBGKYZWSHBA-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001370713030 966408016 /nfs/dbraw/zinc/40/80/16/966408016.db2.gz MWZBMVLQKPRBJA-RFQIPJPRSA-N 1 3 310.442 0.040 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@H]1CCCN(CCF)C1 ZINC001370791546 966482136 /nfs/dbraw/zinc/48/21/36/966482136.db2.gz ORLQUIOTILWRMA-HUUCEWRRSA-N 1 3 315.433 0.752 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](CCF)C1 ZINC001370791546 966482143 /nfs/dbraw/zinc/48/21/43/966482143.db2.gz ORLQUIOTILWRMA-HUUCEWRRSA-N 1 3 315.433 0.752 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](CCF)C1 ZINC001370791546 966482150 /nfs/dbraw/zinc/48/21/50/966482150.db2.gz ORLQUIOTILWRMA-HUUCEWRRSA-N 1 3 315.433 0.752 20 0 DCADHO CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001381751961 966663661 /nfs/dbraw/zinc/66/36/61/966663661.db2.gz UALQKWPPIHERRW-IHRRRGAJSA-N 1 3 312.458 0.467 20 0 DCADHO CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001381751961 966663664 /nfs/dbraw/zinc/66/36/64/966663664.db2.gz UALQKWPPIHERRW-IHRRRGAJSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@H](C(=O)NC1CCC([NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001371075951 966707143 /nfs/dbraw/zinc/70/71/43/966707143.db2.gz RJLQNCGVEDBTNI-NEXFUWMNSA-N 1 3 315.458 0.351 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCCC1 ZINC001371177380 966784846 /nfs/dbraw/zinc/78/48/46/966784846.db2.gz IWTIBERICXTONF-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)C1 ZINC001371319256 966898561 /nfs/dbraw/zinc/89/85/61/966898561.db2.gz CMNJMBDSDWVRIV-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)C1 ZINC001371319256 966898565 /nfs/dbraw/zinc/89/85/65/966898565.db2.gz CMNJMBDSDWVRIV-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001382067073 966911364 /nfs/dbraw/zinc/91/13/64/966911364.db2.gz MAHZEXTUWMIVQA-IUODEOHRSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001382069903 966912804 /nfs/dbraw/zinc/91/28/04/966912804.db2.gz PWKBCDSKYIAVRS-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382153275 966988023 /nfs/dbraw/zinc/98/80/23/966988023.db2.gz NLRFHDAUDBJPBI-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001371538602 967096100 /nfs/dbraw/zinc/09/61/00/967096100.db2.gz JSDQELSWVZCTOF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001371538602 967096108 /nfs/dbraw/zinc/09/61/08/967096108.db2.gz JSDQELSWVZCTOF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001382301809 967185358 /nfs/dbraw/zinc/18/53/58/967185358.db2.gz GVDQEXAJFXETRP-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001382392342 967315290 /nfs/dbraw/zinc/31/52/90/967315290.db2.gz WVJCOUXRHCTLQH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001371868713 967403946 /nfs/dbraw/zinc/40/39/46/967403946.db2.gz LDGFWUSCYGZBDN-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)Nc1ccon1 ZINC001371871822 967409302 /nfs/dbraw/zinc/40/93/02/967409302.db2.gz BUNOBFGYHUNKRE-RYUDHWBXSA-N 1 3 323.397 0.049 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)Nc1ccon1 ZINC001371871822 967409308 /nfs/dbraw/zinc/40/93/08/967409308.db2.gz BUNOBFGYHUNKRE-RYUDHWBXSA-N 1 3 323.397 0.049 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001382578143 967515355 /nfs/dbraw/zinc/51/53/55/967515355.db2.gz INBATRVYIZDGBH-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001372288385 967848012 /nfs/dbraw/zinc/84/80/12/967848012.db2.gz QHEYVQGNXJNSFM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001383008754 967849040 /nfs/dbraw/zinc/84/90/40/967849040.db2.gz JKCGEHXEOHDMAH-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383008754 967849058 /nfs/dbraw/zinc/84/90/58/967849058.db2.gz JKCGEHXEOHDMAH-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)CCN1CCCC1=O ZINC001372404763 967964358 /nfs/dbraw/zinc/96/43/58/967964358.db2.gz ALUYSNNDYKZQPG-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)CCN1CCCC1=O ZINC001372404763 967964366 /nfs/dbraw/zinc/96/43/66/967964366.db2.gz ALUYSNNDYKZQPG-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)N1CCCCC1 ZINC001372945087 968553265 /nfs/dbraw/zinc/55/32/65/968553265.db2.gz KWJGTZVXOXZUNZ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373028748 968645638 /nfs/dbraw/zinc/64/56/38/968645638.db2.gz HSRFJLMVHLURDH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373216252 968818986 /nfs/dbraw/zinc/81/89/86/968818986.db2.gz FRXBJNSQALYZBR-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373234227 968834377 /nfs/dbraw/zinc/83/43/77/968834377.db2.gz IRCQGWPAFCDZCV-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCCN1C ZINC001373527671 969189020 /nfs/dbraw/zinc/18/90/20/969189020.db2.gz ZCPJMZRJDXZAAC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCCN1C ZINC001373527671 969189027 /nfs/dbraw/zinc/18/90/27/969189027.db2.gz ZCPJMZRJDXZAAC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001448761578 1014028527 /nfs/dbraw/zinc/02/85/27/1014028527.db2.gz UJNWKMHIKWPVGB-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001448931273 1014100588 /nfs/dbraw/zinc/10/05/88/1014100588.db2.gz RLIMCQIMRMHFNN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001448931273 1014100590 /nfs/dbraw/zinc/10/05/90/1014100590.db2.gz RLIMCQIMRMHFNN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3CCC[NH2+]CC3)C2)nn1 ZINC001549123698 1014140163 /nfs/dbraw/zinc/14/01/63/1014140163.db2.gz FZJSRELMWUPYRA-JSGCOSHPSA-N 1 3 306.414 0.290 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C[C@@H]3CNCCO3)C2)C1 ZINC001549127104 1014143772 /nfs/dbraw/zinc/14/37/72/1014143772.db2.gz PJKFUPUIOOCOMJ-YJNKXOJESA-N 1 3 311.426 0.110 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)c3cccc4c3CNC4)C[C@@H]2[NH3+])cn1 ZINC001549293013 1014199956 /nfs/dbraw/zinc/19/99/56/1014199956.db2.gz QOPQYZVCAPXUHW-HOTGVXAUSA-N 1 3 311.389 0.590 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H](N)CC3CCCCC3)C[C@@H]2[NH3+])c1 ZINC001549734481 1014432854 /nfs/dbraw/zinc/43/28/54/1014432854.db2.gz DANDHSBYVFPUJF-KFWWJZLASA-N 1 3 319.453 0.971 20 0 DCADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001449392670 1014454162 /nfs/dbraw/zinc/45/41/62/1014454162.db2.gz HQXFJJJSGJFHJR-HIFPTAJRSA-N 1 3 312.458 0.417 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CC[C@@H](C)C1 ZINC001449394585 1014458119 /nfs/dbraw/zinc/45/81/19/1014458119.db2.gz WPTVOKCLMQXPBT-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CC[C@@H](C)C1 ZINC001449394585 1014458123 /nfs/dbraw/zinc/45/81/23/1014458123.db2.gz WPTVOKCLMQXPBT-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001522952981 1014486365 /nfs/dbraw/zinc/48/63/65/1014486365.db2.gz KYMGGTZVDRDLGX-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001522952981 1014486370 /nfs/dbraw/zinc/48/63/70/1014486370.db2.gz KYMGGTZVDRDLGX-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001522974007 1014501367 /nfs/dbraw/zinc/50/13/67/1014501367.db2.gz XMSCPMHZXFYSLQ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001522974007 1014501375 /nfs/dbraw/zinc/50/13/75/1014501375.db2.gz XMSCPMHZXFYSLQ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001550077312 1014550761 /nfs/dbraw/zinc/55/07/61/1014550761.db2.gz CNNSIRYQEJWXSY-BLLLJJGKSA-N 1 3 303.362 0.343 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001449648534 1014611026 /nfs/dbraw/zinc/61/10/26/1014611026.db2.gz DMIGYQUDGZYQDI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001550193722 1014620661 /nfs/dbraw/zinc/62/06/61/1014620661.db2.gz GZSBDYLCTYBXSC-QLFBSQMISA-N 1 3 310.442 0.368 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001550193722 1014620667 /nfs/dbraw/zinc/62/06/67/1014620667.db2.gz GZSBDYLCTYBXSC-QLFBSQMISA-N 1 3 310.442 0.368 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC001550199606 1014624099 /nfs/dbraw/zinc/62/40/99/1014624099.db2.gz CKUOSHDWHSNNIJ-AWEZNQCLSA-N 1 3 322.453 0.318 20 0 DCADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200226 1014625831 /nfs/dbraw/zinc/62/58/31/1014625831.db2.gz DOHOQGQECKNFCZ-ZIAGYGMSSA-N 1 3 324.469 0.692 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912825 1014910384 /nfs/dbraw/zinc/91/03/84/1014910384.db2.gz LFOWZJVCGHOEMA-DETPVDSQSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NC1CCCC1 ZINC001550914387 1014912816 /nfs/dbraw/zinc/91/28/16/1014912816.db2.gz UWBOKWWVYDRMHU-WMLDXEAASA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC001551099708 1014964445 /nfs/dbraw/zinc/96/44/45/1014964445.db2.gz DHOSZMOIPOGXQL-LVQVYYBASA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC001551099708 1014964459 /nfs/dbraw/zinc/96/44/59/1014964459.db2.gz DHOSZMOIPOGXQL-LVQVYYBASA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001385297093 986224882 /nfs/dbraw/zinc/22/48/82/986224882.db2.gz LDJFUSUYVPXJBL-UONOGXRCSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1C ZINC001387056388 987601677 /nfs/dbraw/zinc/60/16/77/987601677.db2.gz IVJIIQRNYVVQJM-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1C ZINC001387056388 987601679 /nfs/dbraw/zinc/60/16/79/987601679.db2.gz IVJIIQRNYVVQJM-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)N(C)C ZINC001387756154 988121452 /nfs/dbraw/zinc/12/14/52/988121452.db2.gz JFUBHFOQQFRUBU-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1)N(C)C ZINC001387756154 988121456 /nfs/dbraw/zinc/12/14/56/988121456.db2.gz JFUBHFOQQFRUBU-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)CC[NH+](C)C)N(C)C ZINC001388558037 988401542 /nfs/dbraw/zinc/40/15/42/988401542.db2.gz ZLNFUISQOLGZTG-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001388760426 988564547 /nfs/dbraw/zinc/56/45/47/988564547.db2.gz SENHQYCZRZTQMN-GUTXKFCHSA-N 1 3 312.458 0.193 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC)C1 ZINC001388761725 988565992 /nfs/dbraw/zinc/56/59/92/988565992.db2.gz SRHORPZVZUFPRI-LSDHHAIUSA-N 1 3 307.442 0.666 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552352972 1015402871 /nfs/dbraw/zinc/40/28/71/1015402871.db2.gz XYGWDIWUZCGCKQ-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO N[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[C@@H]1F ZINC001552440143 1015439415 /nfs/dbraw/zinc/43/94/15/1015439415.db2.gz NZKWVHKETNOHJK-SDDRHHMPSA-N 1 3 310.377 0.104 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001389349112 989147215 /nfs/dbraw/zinc/14/72/15/989147215.db2.gz XITNJWAWSOHEHE-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001389439314 989249993 /nfs/dbraw/zinc/24/99/93/989249993.db2.gz MBUGEHOTKLNQGH-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001389439314 989249998 /nfs/dbraw/zinc/24/99/98/989249998.db2.gz MBUGEHOTKLNQGH-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001389651130 989463772 /nfs/dbraw/zinc/46/37/72/989463772.db2.gz AVFYRCYXTCQNBQ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001389672524 989481246 /nfs/dbraw/zinc/48/12/46/989481246.db2.gz TXUQLLREOZKENU-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2cn([C@@H]3CCCC[C@@H]3[NH3+])nn2)CCN1 ZINC001552694027 1015495636 /nfs/dbraw/zinc/49/56/36/1015495636.db2.gz SNZAEPUBRHVMOC-KCQAQPDRSA-N 1 3 320.441 0.791 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001527563867 1015499925 /nfs/dbraw/zinc/49/99/25/1015499925.db2.gz XSCRCMZTTWDVKI-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001527563867 1015499932 /nfs/dbraw/zinc/49/99/32/1015499932.db2.gz XSCRCMZTTWDVKI-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001390094228 989815836 /nfs/dbraw/zinc/81/58/36/989815836.db2.gz ZTWMQFSEPYYIRG-OAHLLOKOSA-N 1 3 324.469 0.338 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001390157562 989876614 /nfs/dbraw/zinc/87/66/14/989876614.db2.gz NCMCDSSWXQDMGI-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390157562 989876618 /nfs/dbraw/zinc/87/66/18/989876618.db2.gz NCMCDSSWXQDMGI-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001390164418 989882820 /nfs/dbraw/zinc/88/28/20/989882820.db2.gz UBBXSTDSOLYNKU-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NCC1CC1 ZINC001390455608 990118158 /nfs/dbraw/zinc/11/81/58/990118158.db2.gz NXTJMRSFDAMRTP-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CCCC1 ZINC001390473406 990131000 /nfs/dbraw/zinc/13/10/00/990131000.db2.gz DIYVKGQQTFMUTR-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001552834566 1015544377 /nfs/dbraw/zinc/54/43/77/1015544377.db2.gz OAYWNSJPQLTFLE-BFYDXBDKSA-N 1 3 308.470 0.661 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC001552851138 1015552722 /nfs/dbraw/zinc/55/27/22/1015552722.db2.gz LQVZERCSMXQWSR-AEFFLSMTSA-N 1 3 320.481 0.757 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001451057529 1015562857 /nfs/dbraw/zinc/56/28/57/1015562857.db2.gz UBMJGQXNFVGOPC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001451057529 1015562870 /nfs/dbraw/zinc/56/28/70/1015562870.db2.gz UBMJGQXNFVGOPC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001391226555 990685608 /nfs/dbraw/zinc/68/56/08/990685608.db2.gz NFVCTCCPTPPGPI-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001391303366 990731533 /nfs/dbraw/zinc/73/15/33/990731533.db2.gz ZNDLMYMPFGBROC-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001391303366 990731537 /nfs/dbraw/zinc/73/15/37/990731537.db2.gz ZNDLMYMPFGBROC-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001391329123 990750065 /nfs/dbraw/zinc/75/00/65/990750065.db2.gz BUVPUJMFCLTGCR-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)N(C)C)C1)N(C)C ZINC001391344032 990764289 /nfs/dbraw/zinc/76/42/89/990764289.db2.gz YGMVVBXSLRJLMV-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)N(C)C ZINC001391344032 990764292 /nfs/dbraw/zinc/76/42/92/990764292.db2.gz YGMVVBXSLRJLMV-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001392136534 991536801 /nfs/dbraw/zinc/53/68/01/991536801.db2.gz VLXMCNRXEDLOKF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)CCc2ccnn2C)C1 ZINC001392313170 991740629 /nfs/dbraw/zinc/74/06/29/991740629.db2.gz MAJRUVIKIFCAFE-OAHLLOKOSA-N 1 3 321.469 0.695 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CCc2ccnn2C)C1 ZINC001392313170 991740636 /nfs/dbraw/zinc/74/06/36/991740636.db2.gz MAJRUVIKIFCAFE-OAHLLOKOSA-N 1 3 321.469 0.695 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCc1ccccn1)[NH+](C)C ZINC001392421732 991906150 /nfs/dbraw/zinc/90/61/50/991906150.db2.gz MWXAXDOBRVCJHG-HUUCEWRRSA-N 1 3 308.426 0.235 20 0 DCADHO C[C@H](C[NH2+]C[C@@H]1CCNC(=O)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001392481597 991988562 /nfs/dbraw/zinc/98/85/62/991988562.db2.gz CEZWQYTVDFXXML-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001392487691 991994908 /nfs/dbraw/zinc/99/49/08/991994908.db2.gz OMHVQIHIXSXMFF-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001392487691 991994914 /nfs/dbraw/zinc/99/49/14/991994914.db2.gz OMHVQIHIXSXMFF-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001392607249 992153728 /nfs/dbraw/zinc/15/37/28/992153728.db2.gz AWTUBHIEOQVEHZ-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1ncc(CNC[C@H](NC(=O)CC[NH+](C)C)C2CC2)cn1 ZINC001392787262 992397090 /nfs/dbraw/zinc/39/70/90/992397090.db2.gz GDNLTGGZQGMJFO-HNNXBMFYSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001392981727 992600856 /nfs/dbraw/zinc/60/08/56/992600856.db2.gz UAFUATKUPWGBLE-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CCCC1)N(C)C ZINC001393090401 992673832 /nfs/dbraw/zinc/67/38/32/992673832.db2.gz UIYURQDDOKYEFH-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001393145441 992716102 /nfs/dbraw/zinc/71/61/02/992716102.db2.gz HCYCIYFSUMHBCV-ZBFHGGJFSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001393249299 992789936 /nfs/dbraw/zinc/78/99/36/992789936.db2.gz LOYZIANEVXJUFM-ZBFHGGJFSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001393249299 992789942 /nfs/dbraw/zinc/78/99/42/992789942.db2.gz LOYZIANEVXJUFM-ZBFHGGJFSA-N 1 3 315.433 0.772 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCC1 ZINC001393569833 993092272 /nfs/dbraw/zinc/09/22/72/993092272.db2.gz NVDWZEAKKUTIPL-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001393581733 993103197 /nfs/dbraw/zinc/10/31/97/993103197.db2.gz GNZXEQPJJLLULC-MRXNPFEDSA-N 1 3 320.437 0.740 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001393745779 993220290 /nfs/dbraw/zinc/22/02/90/993220290.db2.gz NAOPVTHZTPWUKC-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001393745779 993220299 /nfs/dbraw/zinc/22/02/99/993220299.db2.gz NAOPVTHZTPWUKC-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO COc1nccc(C[NH2+][C@@H](C)CCNC(=O)CN2CCCC2)n1 ZINC001393826483 993282809 /nfs/dbraw/zinc/28/28/09/993282809.db2.gz KXZXBDUFLAENFA-ZDUSSCGKSA-N 1 3 321.425 0.565 20 0 DCADHO C[C@@H](NCc1cncn1C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393986689 993392498 /nfs/dbraw/zinc/39/24/98/993392498.db2.gz FOXKMYUGEJRDKH-CHWSQXEVSA-N 1 3 305.426 0.499 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCn1cccn1 ZINC001394070646 993454199 /nfs/dbraw/zinc/45/41/99/993454199.db2.gz SARUKMQMCOHIES-GDBMZVCRSA-N 1 3 319.453 0.661 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001394548644 993817734 /nfs/dbraw/zinc/81/77/34/993817734.db2.gz ARXFGRLPJRADBH-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394548644 993817743 /nfs/dbraw/zinc/81/77/43/993817743.db2.gz ARXFGRLPJRADBH-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001394561046 993831345 /nfs/dbraw/zinc/83/13/45/993831345.db2.gz UBXMVJFNGHVEGD-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399931537 993945737 /nfs/dbraw/zinc/94/57/37/993945737.db2.gz LURRALNLURPBOE-RBSFLKMASA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001399931537 993945748 /nfs/dbraw/zinc/94/57/48/993945748.db2.gz LURRALNLURPBOE-RBSFLKMASA-N 1 3 315.458 0.018 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001394664686 993991092 /nfs/dbraw/zinc/99/10/92/993991092.db2.gz BXWQHIWOZBESJD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@H]1C ZINC001394671927 994000073 /nfs/dbraw/zinc/00/00/73/994000073.db2.gz IWJICVGZLQHBGU-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001400252850 994342686 /nfs/dbraw/zinc/34/26/86/994342686.db2.gz XIUXRHYKFDJGII-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001400252850 994342690 /nfs/dbraw/zinc/34/26/90/994342690.db2.gz XIUXRHYKFDJGII-ZFWWWQNUSA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CN1CC[C@@H](C)C1 ZINC001400496852 994587898 /nfs/dbraw/zinc/58/78/98/994587898.db2.gz CFYLAGPMOKNTRC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CN1CC[C@@H](C)C1 ZINC001400496852 994587910 /nfs/dbraw/zinc/58/79/10/994587910.db2.gz CFYLAGPMOKNTRC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)N1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001401088122 995163749 /nfs/dbraw/zinc/16/37/49/995163749.db2.gz AICBQXGKAPFTKM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001397131234 995815777 /nfs/dbraw/zinc/81/57/77/995815777.db2.gz SDSQYMMQRUQYQI-UMVBOHGHSA-N 1 3 312.458 0.193 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC(=O)N1CCC1 ZINC001507134711 1016016441 /nfs/dbraw/zinc/01/64/41/1016016441.db2.gz HRZYNNDTUMEFMU-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCCNC1=O ZINC001507129892 1016013347 /nfs/dbraw/zinc/01/33/47/1016013347.db2.gz LGNCEEXVLUSNGZ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)C(C)C ZINC001398090236 996359729 /nfs/dbraw/zinc/35/97/29/996359729.db2.gz SEXQELGQRBFMFK-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)C(C)C ZINC001398090236 996359733 /nfs/dbraw/zinc/35/97/33/996359733.db2.gz SEXQELGQRBFMFK-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001398194118 996406323 /nfs/dbraw/zinc/40/63/23/996406323.db2.gz HVHLXCRYUXFAJY-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO CC(C)N(C)CC(=O)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001398329620 996473719 /nfs/dbraw/zinc/47/37/19/996473719.db2.gz LPVOAHQFMPYDAK-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398329620 996473724 /nfs/dbraw/zinc/47/37/24/996473724.db2.gz LPVOAHQFMPYDAK-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C)C1CC1 ZINC001502738250 1016048062 /nfs/dbraw/zinc/04/80/62/1016048062.db2.gz LBXYMHAIRBBUEU-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001398670288 996631382 /nfs/dbraw/zinc/63/13/82/996631382.db2.gz VLSLOGDWCBKRRA-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001398812540 996698093 /nfs/dbraw/zinc/69/80/93/996698093.db2.gz NCKIMSZDWAKRNI-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001398831938 996707680 /nfs/dbraw/zinc/70/76/80/996707680.db2.gz AQSLQVRWLBQGPX-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001398831938 996707683 /nfs/dbraw/zinc/70/76/83/996707683.db2.gz AQSLQVRWLBQGPX-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399030516 996862085 /nfs/dbraw/zinc/86/20/85/996862085.db2.gz LFTZDQKRWBTQIY-STQMWFEESA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399030516 996862094 /nfs/dbraw/zinc/86/20/94/996862094.db2.gz LFTZDQKRWBTQIY-STQMWFEESA-N 1 3 321.425 0.223 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001404312014 996958127 /nfs/dbraw/zinc/95/81/27/996958127.db2.gz CZBUXJJSLGJPRY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001404312014 996958145 /nfs/dbraw/zinc/95/81/45/996958145.db2.gz CZBUXJJSLGJPRY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCCC1 ZINC001399108826 996973684 /nfs/dbraw/zinc/97/36/84/996973684.db2.gz KGHGKGKIAOXTED-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCCC1 ZINC001399108826 996973695 /nfs/dbraw/zinc/97/36/95/996973695.db2.gz KGHGKGKIAOXTED-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001399128384 997010319 /nfs/dbraw/zinc/01/03/19/997010319.db2.gz XFCAQNCKXGLTTH-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001399128384 997010337 /nfs/dbraw/zinc/01/03/37/997010337.db2.gz XFCAQNCKXGLTTH-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001404363428 997038503 /nfs/dbraw/zinc/03/85/03/997038503.db2.gz DPPXLNBUTFAKBL-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001404544675 997224069 /nfs/dbraw/zinc/22/40/69/997224069.db2.gz IUFVIEATYLMTJY-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001404544675 997224075 /nfs/dbraw/zinc/22/40/75/997224075.db2.gz IUFVIEATYLMTJY-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001404544671 997224739 /nfs/dbraw/zinc/22/47/39/997224739.db2.gz IUFVIEATYLMTJY-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001404544671 997224749 /nfs/dbraw/zinc/22/47/49/997224749.db2.gz IUFVIEATYLMTJY-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)CCN1CC[NH+](CC2CC2)CC1 ZINC001404555854 997234056 /nfs/dbraw/zinc/23/40/56/997234056.db2.gz BEJANUAEJSUERC-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(CC)C1=O ZINC001405368214 998157692 /nfs/dbraw/zinc/15/76/92/998157692.db2.gz JKDAQMFRFDCRLX-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cnn(C)c1 ZINC001405404451 998196338 /nfs/dbraw/zinc/19/63/38/998196338.db2.gz WHPRGJBESRTLDK-HNNXBMFYSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)CN1CCCC1 ZINC001405491796 998272988 /nfs/dbraw/zinc/27/29/88/998272988.db2.gz RTYSXGVMYJJIHL-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CC(C[NH+](C)C)C2)cn1 ZINC001468179377 1016230000 /nfs/dbraw/zinc/23/00/00/1016230000.db2.gz SBSQSNGVXUMQFM-JKSUJKDBSA-N 1 3 319.453 0.475 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001507323253 1016252042 /nfs/dbraw/zinc/25/20/42/1016252042.db2.gz WDCKQHVNXPSGJZ-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001507331019 1016257861 /nfs/dbraw/zinc/25/78/61/1016257861.db2.gz ISHQZMNWYCPVPP-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCn1cccn1 ZINC001505625751 1016367793 /nfs/dbraw/zinc/36/77/93/1016367793.db2.gz NHKDPQOTVQTIKZ-ZIAGYGMSSA-N 1 3 307.442 0.850 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001401125228 1000211025 /nfs/dbraw/zinc/21/10/25/1000211025.db2.gz GDYLSVQVZVXXMV-GFCCVEGCSA-N 1 3 300.447 0.052 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001401175074 1000249559 /nfs/dbraw/zinc/24/95/59/1000249559.db2.gz KMZWSWUQRGLISI-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001401175074 1000249565 /nfs/dbraw/zinc/24/95/65/1000249565.db2.gz KMZWSWUQRGLISI-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](O)CN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001418493382 1000280710 /nfs/dbraw/zinc/28/07/10/1000280710.db2.gz CMKJTLKHYWRZJK-OIISXLGYSA-N 1 3 319.449 0.761 20 0 DCADHO C[C@@H](O)CN(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001418493382 1000280714 /nfs/dbraw/zinc/28/07/14/1000280714.db2.gz CMKJTLKHYWRZJK-OIISXLGYSA-N 1 3 319.449 0.761 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C[C@@H]2CCc3ncnn32)C1 ZINC001418496214 1000283495 /nfs/dbraw/zinc/28/34/95/1000283495.db2.gz RFSOPPJSNRRPDQ-KBPBESRZSA-N 1 3 320.441 0.155 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C[C@@H]2CCc3ncnn32)C1 ZINC001418496214 1000283498 /nfs/dbraw/zinc/28/34/98/1000283498.db2.gz RFSOPPJSNRRPDQ-KBPBESRZSA-N 1 3 320.441 0.155 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401240177 1000301179 /nfs/dbraw/zinc/30/11/79/1000301179.db2.gz DSYFVKNKADZXDB-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1ccnn1C)[NH+](C)C ZINC001401246885 1000305440 /nfs/dbraw/zinc/30/54/40/1000305440.db2.gz MPFYAWOZVXAEER-DZGCQCFKSA-N 1 3 309.458 0.943 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1NCc1cn(C)nn1 ZINC001401300433 1000336893 /nfs/dbraw/zinc/33/68/93/1000336893.db2.gz QXRHANYZHPIFTN-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1ccn(C)n1 ZINC001401298132 1000337227 /nfs/dbraw/zinc/33/72/27/1000337227.db2.gz ODWYPACEUNSVRF-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CCCNC(=O)[C@@H](C)N1CCC[C@H]1CNC(=O)CN1CCCC1 ZINC001418645285 1000416283 /nfs/dbraw/zinc/41/62/83/1000416283.db2.gz FIWLHGFJNHVERI-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCN[C@@H]1CCN(C2CCC2)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418824326 1000551666 /nfs/dbraw/zinc/55/16/66/1000551666.db2.gz FSCNUPDQACBUKJ-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCN[C@@H]1CCN(C2CCC2)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418824326 1000551672 /nfs/dbraw/zinc/55/16/72/1000551672.db2.gz FSCNUPDQACBUKJ-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401618968 1000557239 /nfs/dbraw/zinc/55/72/39/1000557239.db2.gz OPJBBXXRAUZWPY-DOMZBBRYSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@H](NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001418833360 1000558822 /nfs/dbraw/zinc/55/88/22/1000558822.db2.gz UQXWSFSZELSLTI-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001418833360 1000558830 /nfs/dbraw/zinc/55/88/30/1000558830.db2.gz UQXWSFSZELSLTI-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CCN(CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001418916313 1000613536 /nfs/dbraw/zinc/61/35/36/1000613536.db2.gz XKQBXPOISNMASA-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001401689036 1000628963 /nfs/dbraw/zinc/62/89/63/1000628963.db2.gz XSWKBZLIFRMSTQ-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001401689036 1000628967 /nfs/dbraw/zinc/62/89/67/1000628967.db2.gz XSWKBZLIFRMSTQ-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCN1CC[C@@H](N(C)C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001418936512 1000631375 /nfs/dbraw/zinc/63/13/75/1000631375.db2.gz GQICSTBMWOTKBJ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001401702155 1000641538 /nfs/dbraw/zinc/64/15/38/1000641538.db2.gz KTULLKAUUQOPMV-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401702508 1000641722 /nfs/dbraw/zinc/64/17/22/1000641722.db2.gz AASOLZRNKUGBCA-GXTWGEPZSA-N 1 3 300.447 0.192 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001401705445 1000643812 /nfs/dbraw/zinc/64/38/12/1000643812.db2.gz MVAXAZRHGIOQKL-DZGCQCFKSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001401705445 1000643817 /nfs/dbraw/zinc/64/38/17/1000643817.db2.gz MVAXAZRHGIOQKL-DZGCQCFKSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001401725111 1000660960 /nfs/dbraw/zinc/66/09/60/1000660960.db2.gz RPFFUYIUGJNNPE-ZDUSSCGKSA-N 1 3 320.437 0.720 20 0 DCADHO CN(C[C@H](O)CNCC=C(Cl)Cl)C(=O)CC[NH+](C)C ZINC001507503106 1016428010 /nfs/dbraw/zinc/42/80/10/1016428010.db2.gz VTQLQKKIJHMJFN-SNVBAGLBSA-N 1 3 312.241 0.666 20 0 DCADHO CCCCN1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001419114991 1000787874 /nfs/dbraw/zinc/78/78/74/1000787874.db2.gz MYYKGYKEWPJEMS-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CCCCN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001419114991 1000787881 /nfs/dbraw/zinc/78/78/81/1000787881.db2.gz MYYKGYKEWPJEMS-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CCCC[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001401946630 1000890475 /nfs/dbraw/zinc/89/04/75/1000890475.db2.gz HUXMFEZWZDPYAP-MGPQQGTHSA-N 1 3 324.469 0.609 20 0 DCADHO CCCC[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)C(N)=O ZINC001401946630 1000890481 /nfs/dbraw/zinc/89/04/81/1000890481.db2.gz HUXMFEZWZDPYAP-MGPQQGTHSA-N 1 3 324.469 0.609 20 0 DCADHO CNC(=O)CNC[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001419355404 1000997671 /nfs/dbraw/zinc/99/76/71/1000997671.db2.gz SSGWWBFJAJUFKL-GDZNZVCISA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)CNC[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001419355404 1000997674 /nfs/dbraw/zinc/99/76/74/1000997674.db2.gz SSGWWBFJAJUFKL-GDZNZVCISA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001419374588 1001007584 /nfs/dbraw/zinc/00/75/84/1001007584.db2.gz BAFDUXGKAMBBAE-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001402112174 1001023866 /nfs/dbraw/zinc/02/38/66/1001023866.db2.gz CBIGUDLMJONXGC-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001402112174 1001023875 /nfs/dbraw/zinc/02/38/75/1001023875.db2.gz CBIGUDLMJONXGC-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001419411586 1001030305 /nfs/dbraw/zinc/03/03/05/1001030305.db2.gz IBYSMOUHLLKEDI-AVGNSLFASA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001419415856 1001032043 /nfs/dbraw/zinc/03/20/43/1001032043.db2.gz FQZZXFUVAPASKR-AAVRWANBSA-N 1 3 312.458 0.286 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1)N(C)C ZINC001419421911 1001036765 /nfs/dbraw/zinc/03/67/65/1001036765.db2.gz DXNWZLFNDLRZKU-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)N(C)C ZINC001419422335 1001036981 /nfs/dbraw/zinc/03/69/81/1001036981.db2.gz VYTVCQRRAXKTRZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)N(C)C ZINC001419422335 1001036990 /nfs/dbraw/zinc/03/69/90/1001036990.db2.gz VYTVCQRRAXKTRZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001419563398 1001141496 /nfs/dbraw/zinc/14/14/96/1001141496.db2.gz LHUOHRZRTUHPSD-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001419675026 1001213903 /nfs/dbraw/zinc/21/39/03/1001213903.db2.gz NWBZTDQFPBSMTR-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001419675031 1001214094 /nfs/dbraw/zinc/21/40/94/1001214094.db2.gz NWBZTDQFPBSMTR-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419740631 1001269786 /nfs/dbraw/zinc/26/97/86/1001269786.db2.gz CGXQWPIBRMNBFP-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419740631 1001269791 /nfs/dbraw/zinc/26/97/91/1001269791.db2.gz CGXQWPIBRMNBFP-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CCCO)C2)C1 ZINC001402400332 1001280951 /nfs/dbraw/zinc/28/09/51/1001280951.db2.gz XHUJJWUNZSVEFN-HOTGVXAUSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCCO)C2)C1 ZINC001402400332 1001280957 /nfs/dbraw/zinc/28/09/57/1001280957.db2.gz XHUJJWUNZSVEFN-HOTGVXAUSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001402409766 1001285609 /nfs/dbraw/zinc/28/56/09/1001285609.db2.gz LBXDRCXMWDFZND-HOCLYGCPSA-N 1 3 321.469 0.946 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cnn(C)c3)C2)CCC1 ZINC001402504322 1001366279 /nfs/dbraw/zinc/36/62/79/1001366279.db2.gz UTJRHRLIBSARJQ-SHTZXODSSA-N 1 3 319.453 0.684 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001402518730 1001377671 /nfs/dbraw/zinc/37/76/71/1001377671.db2.gz USNVKTVPFZYEJP-AAVRWANBSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001402532526 1001389551 /nfs/dbraw/zinc/38/95/51/1001389551.db2.gz QTJCCIKYTZOJAC-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001402547671 1001398169 /nfs/dbraw/zinc/39/81/69/1001398169.db2.gz OLNBNDSGSVXOEA-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)[C@H](C)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419913965 1001404289 /nfs/dbraw/zinc/40/42/89/1001404289.db2.gz ZEFJXHGBGYFBRE-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NCC(=O)N(C)C ZINC001419938046 1001418329 /nfs/dbraw/zinc/41/83/29/1001418329.db2.gz NWTQYLQKHRDKNJ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[NH+]1CCC(C(=O)NCC2(NCC(=O)NC3CC3)CCC2)CC1 ZINC001402581361 1001421751 /nfs/dbraw/zinc/42/17/51/1001421751.db2.gz XMIQVYDKNVWXEL-UHFFFAOYSA-N 1 3 322.453 0.235 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1)C1CCC1 ZINC001402593808 1001429636 /nfs/dbraw/zinc/42/96/36/1001429636.db2.gz HJXURGPPFHVTEP-OKILXGFUSA-N 1 3 319.453 0.684 20 0 DCADHO Cc1ccncc1CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001402598565 1001432537 /nfs/dbraw/zinc/43/25/37/1001432537.db2.gz JRDOZRITTPMNKN-INIZCTEOSA-N 1 3 320.437 0.659 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001402723545 1001481466 /nfs/dbraw/zinc/48/14/66/1001481466.db2.gz STUAXUXIWYPBRI-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001402759578 1001492123 /nfs/dbraw/zinc/49/21/23/1001492123.db2.gz XAFPCWPSVDICMW-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]C[C@H](O)COC)CC1 ZINC001402769125 1001494770 /nfs/dbraw/zinc/49/47/70/1001494770.db2.gz KKYNNPYAYGONTH-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001402898540 1001564110 /nfs/dbraw/zinc/56/41/10/1001564110.db2.gz WLXGCGWFSSBUES-HOCLYGCPSA-N 1 3 321.469 0.931 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)NCC)C1 ZINC001402987211 1001620209 /nfs/dbraw/zinc/62/02/09/1001620209.db2.gz SLJVAPHFZHOLQX-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)NCC)C1 ZINC001402987211 1001620215 /nfs/dbraw/zinc/62/02/15/1001620215.db2.gz SLJVAPHFZHOLQX-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)NCC(N)=O ZINC001402989557 1001621659 /nfs/dbraw/zinc/62/16/59/1001621659.db2.gz FDCRXTAYGRDOEP-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)[C@H](C)NCC(N)=O ZINC001402989557 1001621663 /nfs/dbraw/zinc/62/16/63/1001621663.db2.gz FDCRXTAYGRDOEP-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001403040175 1001644275 /nfs/dbraw/zinc/64/42/75/1001644275.db2.gz NKJXEWONGLGYSM-CHWSQXEVSA-N 1 3 322.457 0.972 20 0 DCADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NCc1cccnc1 ZINC001403076745 1001662775 /nfs/dbraw/zinc/66/27/75/1001662775.db2.gz WRKMRTWLMXUPCQ-CQSZACIVSA-N 1 3 320.437 0.787 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1)C1CC1 ZINC001403196461 1001721163 /nfs/dbraw/zinc/72/11/63/1001721163.db2.gz SOUCFNXYPRUOKG-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)C1CC1 ZINC001403196461 1001721168 /nfs/dbraw/zinc/72/11/68/1001721168.db2.gz SOUCFNXYPRUOKG-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001403215884 1001739532 /nfs/dbraw/zinc/73/95/32/1001739532.db2.gz RMYUBFDTUZODOJ-INIZCTEOSA-N 1 3 321.469 0.978 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001419987855 1001746867 /nfs/dbraw/zinc/74/68/67/1001746867.db2.gz HBHOXMJHDFZXTR-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001420001798 1001756318 /nfs/dbraw/zinc/75/63/18/1001756318.db2.gz IFVGWTZOJLIIAK-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001403297123 1001789969 /nfs/dbraw/zinc/78/99/69/1001789969.db2.gz YBCFLYKQKLUTHD-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001403400265 1001928086 /nfs/dbraw/zinc/92/80/86/1001928086.db2.gz IZLKRCJOTJUWEF-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001403412413 1001940949 /nfs/dbraw/zinc/94/09/49/1001940949.db2.gz GMBNMNZLFUBSRH-MQMHXKEQSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](CC[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001420217793 1002060492 /nfs/dbraw/zinc/06/04/92/1002060492.db2.gz ARMVEKDKPDSCRF-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NCC(=O)NC(C)(C)C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001424868492 1002109878 /nfs/dbraw/zinc/10/98/78/1002109878.db2.gz ZCIQJHKQTZHXDN-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1cncn1C)[NH+](C)C ZINC001403555668 1002132237 /nfs/dbraw/zinc/13/22/37/1002132237.db2.gz KAHKYSIWFNWZKG-HIFRSBDPSA-N 1 3 309.458 0.943 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001403554595 1002133776 /nfs/dbraw/zinc/13/37/76/1002133776.db2.gz MFERGIJTJBRKRV-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001403554595 1002133780 /nfs/dbraw/zinc/13/37/80/1002133780.db2.gz MFERGIJTJBRKRV-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001403640844 1002253320 /nfs/dbraw/zinc/25/33/20/1002253320.db2.gz YVNKDAHVQDCHAE-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001420369019 1002292187 /nfs/dbraw/zinc/29/21/87/1002292187.db2.gz ZSSATJFIQXYTGH-IUODEOHRSA-N 1 3 307.442 0.966 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NC)N(C)C ZINC001505835851 1016599194 /nfs/dbraw/zinc/59/91/94/1016599194.db2.gz PGYCECBTIZRAES-LBPRGKRZSA-N 1 3 300.447 0.147 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)CC[NH+](C)C)CCC1 ZINC001505865708 1016630916 /nfs/dbraw/zinc/63/09/16/1016630916.db2.gz YEAMYVIPVMCCAZ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CC[NH+]1CCCCC1 ZINC001403781826 1002512971 /nfs/dbraw/zinc/51/29/71/1002512971.db2.gz UANHOHLGIJYMHB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1=O ZINC001403840401 1002608904 /nfs/dbraw/zinc/60/89/04/1002608904.db2.gz ZAVCLTVMYJGRGL-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420567427 1002629608 /nfs/dbraw/zinc/62/96/08/1002629608.db2.gz KEIADUXJZVHNEO-SQWLQELKSA-N 1 3 321.469 0.739 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420567427 1002629612 /nfs/dbraw/zinc/62/96/12/1002629612.db2.gz KEIADUXJZVHNEO-SQWLQELKSA-N 1 3 321.469 0.739 20 0 DCADHO C[C@@H](C[N@H+](C)CCn1cccn1)NC(=O)CN(C)C1CCC1 ZINC001420582643 1002649169 /nfs/dbraw/zinc/64/91/69/1002649169.db2.gz CVSXMZPLPVOHAM-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](C[N@@H+](C)CCn1cccn1)NC(=O)CN(C)C1CCC1 ZINC001420582643 1002649176 /nfs/dbraw/zinc/64/91/76/1002649176.db2.gz CVSXMZPLPVOHAM-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403876891 1002668169 /nfs/dbraw/zinc/66/81/69/1002668169.db2.gz JPXZIROQXYWFTK-HOTGVXAUSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1ncccc1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403876891 1002668175 /nfs/dbraw/zinc/66/81/75/1002668175.db2.gz JPXZIROQXYWFTK-HOTGVXAUSA-N 1 3 320.437 0.251 20 0 DCADHO CN(CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC(N)=O)C1CCC1 ZINC001420684724 1002797442 /nfs/dbraw/zinc/79/74/42/1002797442.db2.gz PAMLMAFNQAPTRN-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CC[C@H]2CCOC2)CC1 ZINC001420856078 1003037766 /nfs/dbraw/zinc/03/77/66/1003037766.db2.gz ATWGXPMQIQPRHQ-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405821686 1003110100 /nfs/dbraw/zinc/11/01/00/1003110100.db2.gz FFOCDCVAOXHSRS-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001405854784 1003142673 /nfs/dbraw/zinc/14/26/73/1003142673.db2.gz DNJIDTIJPRHJGF-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001405854784 1003142679 /nfs/dbraw/zinc/14/26/79/1003142679.db2.gz DNJIDTIJPRHJGF-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420941055 1003156664 /nfs/dbraw/zinc/15/66/64/1003156664.db2.gz QOTKCWZXQPPLOL-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420941055 1003156666 /nfs/dbraw/zinc/15/66/66/1003156666.db2.gz QOTKCWZXQPPLOL-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001405885456 1003171777 /nfs/dbraw/zinc/17/17/77/1003171777.db2.gz FMNNWKFINHZJHM-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCn2cncn2)CC1)N(C)C ZINC001420956555 1003174113 /nfs/dbraw/zinc/17/41/13/1003174113.db2.gz XIOHYDBBNIHZRV-ZDUSSCGKSA-N 1 3 308.430 0.103 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001406035188 1003286635 /nfs/dbraw/zinc/28/66/35/1003286635.db2.gz CZAZXHOKIRWYMQ-CHWSQXEVSA-N 1 3 314.474 0.569 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001421125961 1003356815 /nfs/dbraw/zinc/35/68/15/1003356815.db2.gz DHYZSDZKPZMRDK-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001421242097 1003476354 /nfs/dbraw/zinc/47/63/54/1003476354.db2.gz WDQXFHWVASLVBD-DOMZBBRYSA-N 1 3 310.442 0.173 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001421269459 1003492127 /nfs/dbraw/zinc/49/21/27/1003492127.db2.gz JHIULGFATKHEAG-HOCLYGCPSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001421273178 1003495035 /nfs/dbraw/zinc/49/50/35/1003495035.db2.gz WLVNCCCEEAEBOS-PBHICJAKSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001406333841 1003615587 /nfs/dbraw/zinc/61/55/87/1003615587.db2.gz UVHCVHLJLFWUTF-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001426161984 1003628621 /nfs/dbraw/zinc/62/86/21/1003628621.db2.gz GIOIWLIDIMUWHU-ZFWWWQNUSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001426161984 1003628623 /nfs/dbraw/zinc/62/86/23/1003628623.db2.gz GIOIWLIDIMUWHU-ZFWWWQNUSA-N 1 3 321.469 0.992 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406541072 1003807573 /nfs/dbraw/zinc/80/75/73/1003807573.db2.gz BVWYZAUPSXQZIO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406597645 1003904670 /nfs/dbraw/zinc/90/46/70/1003904670.db2.gz DRELOAUTNAXKFM-ZFWWWQNUSA-N 1 3 320.441 0.056 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(=O)NC)CC1 ZINC001406923390 1004224093 /nfs/dbraw/zinc/22/40/93/1004224093.db2.gz GQBVRXXBDYZEFZ-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](C)C(=O)NC)CC1 ZINC001406923390 1004224098 /nfs/dbraw/zinc/22/40/98/1004224098.db2.gz GQBVRXXBDYZEFZ-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001427319699 1004321410 /nfs/dbraw/zinc/32/14/10/1004321410.db2.gz OOEXVWWQRLEXNA-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001427319699 1004321421 /nfs/dbraw/zinc/32/14/21/1004321421.db2.gz OOEXVWWQRLEXNA-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001427645210 1004506699 /nfs/dbraw/zinc/50/66/99/1004506699.db2.gz LKPHIAHIOHRJMX-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001407749224 1004836046 /nfs/dbraw/zinc/83/60/46/1004836046.db2.gz AOJMKEZLJOKUJO-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001407749224 1004836042 /nfs/dbraw/zinc/83/60/42/1004836042.db2.gz AOJMKEZLJOKUJO-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(CNC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)cn1 ZINC001407828713 1004887067 /nfs/dbraw/zinc/88/70/67/1004887067.db2.gz KEVUPLQASGIMOB-HNNXBMFYSA-N 1 3 317.437 0.865 20 0 DCADHO Cc1ncc(CNC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC2)cn1 ZINC001407828713 1004887073 /nfs/dbraw/zinc/88/70/73/1004887073.db2.gz KEVUPLQASGIMOB-HNNXBMFYSA-N 1 3 317.437 0.865 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001407871977 1004913055 /nfs/dbraw/zinc/91/30/55/1004913055.db2.gz YFHHDTUBIRQSKR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001408178220 1005093892 /nfs/dbraw/zinc/09/38/92/1005093892.db2.gz LIZXLKKAJQQFTJ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001408178220 1005093895 /nfs/dbraw/zinc/09/38/95/1005093895.db2.gz LIZXLKKAJQQFTJ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN(C)C1CCC1 ZINC001408224715 1005114888 /nfs/dbraw/zinc/11/48/88/1005114888.db2.gz MCGSYTNYYWPQCA-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H](NC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1=O ZINC001408304866 1005150394 /nfs/dbraw/zinc/15/03/94/1005150394.db2.gz SBJLZHQEYNJLTM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc([C@H]2CC[N@@H+](CCC(=O)N3CCN(C)CC3)C2)n[nH]1 ZINC001473555142 1016943178 /nfs/dbraw/zinc/94/31/78/1016943178.db2.gz AMNXIEXPISXJJT-ZDUSSCGKSA-N 1 3 306.414 0.067 20 0 DCADHO Cc1nc([C@H]2CC[N@H+](CCC(=O)N3CCN(C)CC3)C2)n[nH]1 ZINC001473555142 1016943185 /nfs/dbraw/zinc/94/31/85/1016943185.db2.gz AMNXIEXPISXJJT-ZDUSSCGKSA-N 1 3 306.414 0.067 20 0 DCADHO CCN1CCC(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)CC1 ZINC001414184923 1005251327 /nfs/dbraw/zinc/25/13/27/1005251327.db2.gz HJIGDXTZIDZRKY-AWEZNQCLSA-N 1 3 304.456 0.512 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001414536610 1005355324 /nfs/dbraw/zinc/35/53/24/1005355324.db2.gz CFQNJYVBSSTRLD-ILXRZTDVSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)C1(N(C)C)CCC1 ZINC001415217813 1005483099 /nfs/dbraw/zinc/48/30/99/1005483099.db2.gz JHCKLHOOCMSJAF-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001417273799 1005814336 /nfs/dbraw/zinc/81/43/36/1005814336.db2.gz JVSPTKHUCLWGKH-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO COCc1nc2n(n1)C[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC001474046581 1016999142 /nfs/dbraw/zinc/99/91/42/1016999142.db2.gz HDOICTDRMDNQAX-BFHYXJOUSA-N 1 3 305.426 0.956 20 0 DCADHO COCc1nc2n(n1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC001474046581 1016999161 /nfs/dbraw/zinc/99/91/61/1016999161.db2.gz HDOICTDRMDNQAX-BFHYXJOUSA-N 1 3 305.426 0.956 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001417900554 1005919635 /nfs/dbraw/zinc/91/96/35/1005919635.db2.gz JBHHZJVUUOWFPK-HNNXBMFYSA-N 1 3 315.458 0.257 20 0 DCADHO CCCCN1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001417917245 1005924884 /nfs/dbraw/zinc/92/48/84/1005924884.db2.gz KQCVIBSZMWNYHC-KRWDZBQOSA-N 1 3 322.497 0.862 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001418004788 1005952846 /nfs/dbraw/zinc/95/28/46/1005952846.db2.gz JMKIBVLCJRNHCT-WFASDCNBSA-N 1 3 306.410 0.782 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001418045277 1005975855 /nfs/dbraw/zinc/97/58/55/1005975855.db2.gz VQHXJYKUYGEPGB-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NCC3CCC3)C2)C1 ZINC001418045277 1005975861 /nfs/dbraw/zinc/97/58/61/1005975861.db2.gz VQHXJYKUYGEPGB-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1)N(C)C ZINC001418063139 1005994897 /nfs/dbraw/zinc/99/48/97/1005994897.db2.gz DXNWZLFNDLRZKU-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C(=O)CN1CCCC1 ZINC001438727291 1006076079 /nfs/dbraw/zinc/07/60/79/1006076079.db2.gz ZWOUQGDLQHXFTO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001438770248 1006105409 /nfs/dbraw/zinc/10/54/09/1006105409.db2.gz LUNYIFSYTFVXHK-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001436389942 1006158660 /nfs/dbraw/zinc/15/86/60/1006158660.db2.gz JSDFIPVUSXPGEY-MGPQQGTHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001436456556 1006194841 /nfs/dbraw/zinc/19/48/41/1006194841.db2.gz FDQOVDBMOYLACP-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N1CCCC1 ZINC001418244586 1006239481 /nfs/dbraw/zinc/23/94/81/1006239481.db2.gz YWEPZLBKWKNUMW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N1CCCC1 ZINC001418244586 1006239488 /nfs/dbraw/zinc/23/94/88/1006239488.db2.gz YWEPZLBKWKNUMW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N[C@@H]1CCNC1=O ZINC001418262221 1006266679 /nfs/dbraw/zinc/26/66/79/1006266679.db2.gz JWBXDTRXZRKFHQ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001438999971 1006343142 /nfs/dbraw/zinc/34/31/42/1006343142.db2.gz LMJMVAVBKNWPMF-JKSUJKDBSA-N 1 3 322.453 0.605 20 0 DCADHO C[C@H]([NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1)C(N)=O ZINC001436805197 1006380363 /nfs/dbraw/zinc/38/03/63/1006380363.db2.gz GSGKHPLUVRVAPO-AAEUAGOBSA-N 1 3 312.458 0.323 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)cn1 ZINC001436828816 1006401763 /nfs/dbraw/zinc/40/17/63/1006401763.db2.gz QBXYVZROQPQKCL-HNNXBMFYSA-N 1 3 317.437 0.500 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](NCC(N)=O)C1CC1)[NH+]1CCCCC1 ZINC001436834113 1006410394 /nfs/dbraw/zinc/41/03/94/1006410394.db2.gz QMQBSMVJQVEMIA-HOCLYGCPSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](NCC(N)=O)C1CC1)[NH+]1CCCCC1 ZINC001436834112 1006410455 /nfs/dbraw/zinc/41/04/55/1006410455.db2.gz QMQBSMVJQVEMIA-GOEBONIOSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001418348605 1006412223 /nfs/dbraw/zinc/41/22/23/1006412223.db2.gz HHPZVAMMUXWSTB-AWEZNQCLSA-N 1 3 307.442 0.698 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)CC(C)(C)C ZINC001436914055 1006451782 /nfs/dbraw/zinc/45/17/82/1006451782.db2.gz MSPWVJOCEMBNBV-HDJSIYSDSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001436965020 1006488252 /nfs/dbraw/zinc/48/82/52/1006488252.db2.gz HXXXHOXCTZXEMC-RFQIPJPRSA-N 1 3 310.442 0.042 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)CC(C)(C)C ZINC001436966133 1006488542 /nfs/dbraw/zinc/48/85/42/1006488542.db2.gz MSPWVJOCEMBNBV-OKILXGFUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001436976928 1006495680 /nfs/dbraw/zinc/49/56/80/1006495680.db2.gz QADGMPWRSTXDQZ-MJBXVCDLSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001439142167 1006507556 /nfs/dbraw/zinc/50/75/56/1006507556.db2.gz GGKLUEBOURJZAO-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC[C@@H]1C)NC(=O)CC[NH+](C)C ZINC001439146130 1006515434 /nfs/dbraw/zinc/51/54/34/1006515434.db2.gz DFZKYWIMQVHUDZ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001437022942 1006534471 /nfs/dbraw/zinc/53/44/71/1006534471.db2.gz QPEAJAXFHOTVQX-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCC(=O)N[C@H](C)C1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439165370 1006536620 /nfs/dbraw/zinc/53/66/20/1006536620.db2.gz CTUXZBWHGBCEDP-CHWSQXEVSA-N 1 3 322.453 0.091 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCO)C1 ZINC001437057902 1006558019 /nfs/dbraw/zinc/55/80/19/1006558019.db2.gz CWCHWHANLLQVTD-TZMCWYRMSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001437057902 1006558027 /nfs/dbraw/zinc/55/80/27/1006558027.db2.gz CWCHWHANLLQVTD-TZMCWYRMSA-N 1 3 308.426 0.860 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C ZINC001437129242 1006624710 /nfs/dbraw/zinc/62/47/10/1006624710.db2.gz GMDUHEUUTVTKIU-GDBMZVCRSA-N 1 3 321.469 0.930 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001437164438 1006659958 /nfs/dbraw/zinc/65/99/58/1006659958.db2.gz FLKUKNMIPOXEPG-TZMCWYRMSA-N 1 3 308.426 0.320 20 0 DCADHO C[C@H](CNC(=O)c1ccccc1CC[NH+](C)C)N[C@H](C)C(N)=O ZINC001437186777 1006682610 /nfs/dbraw/zinc/68/26/10/1006682610.db2.gz ZVRCTDJZFVEBJR-CHWSQXEVSA-N 1 3 320.437 0.372 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN[C@@H](C)c2nncn2C)C1 ZINC001437312255 1006829774 /nfs/dbraw/zinc/82/97/74/1006829774.db2.gz QWLUEWGPRFGLMG-KBPBESRZSA-N 1 3 322.457 0.656 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN[C@@H](C)c2nncn2C)C1 ZINC001437312255 1006829784 /nfs/dbraw/zinc/82/97/84/1006829784.db2.gz QWLUEWGPRFGLMG-KBPBESRZSA-N 1 3 322.457 0.656 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001437324956 1006840737 /nfs/dbraw/zinc/84/07/37/1006840737.db2.gz KOUIYQYQHJVEIA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001452791854 1007074426 /nfs/dbraw/zinc/07/44/26/1007074426.db2.gz FDOYYDQNLGUUMB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001452909579 1007143779 /nfs/dbraw/zinc/14/37/79/1007143779.db2.gz KSOLSSPLWFCGQH-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001439831445 1007227873 /nfs/dbraw/zinc/22/78/73/1007227873.db2.gz XYKRQNSURWKXTH-MRXNPFEDSA-N 1 3 310.486 0.954 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001439831445 1007227888 /nfs/dbraw/zinc/22/78/88/1007227888.db2.gz XYKRQNSURWKXTH-MRXNPFEDSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1)C(N)=O ZINC001437840548 1007453803 /nfs/dbraw/zinc/45/38/03/1007453803.db2.gz FUNQUCULVKYTPU-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001437913716 1007493413 /nfs/dbraw/zinc/49/34/13/1007493413.db2.gz AZEUKWREBMZNSD-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001437913716 1007493419 /nfs/dbraw/zinc/49/34/19/1007493419.db2.gz AZEUKWREBMZNSD-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437974270 1007546218 /nfs/dbraw/zinc/54/62/18/1007546218.db2.gz IPGNXLAWKYTTGU-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437974270 1007546227 /nfs/dbraw/zinc/54/62/27/1007546227.db2.gz IPGNXLAWKYTTGU-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(CCCF)C2)C1 ZINC001440193785 1007570969 /nfs/dbraw/zinc/57/09/69/1007570969.db2.gz NYEDDULMRWJNND-UKRRQHHQSA-N 1 3 301.406 0.241 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCCN(CCCF)C2)C1 ZINC001440193785 1007570981 /nfs/dbraw/zinc/57/09/81/1007570981.db2.gz NYEDDULMRWJNND-UKRRQHHQSA-N 1 3 301.406 0.241 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001440312568 1007662539 /nfs/dbraw/zinc/66/25/39/1007662539.db2.gz KZPKPMWFNDWSHH-DDHJSBNISA-N 1 3 324.469 0.478 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCn1cncn1 ZINC001438319604 1007817052 /nfs/dbraw/zinc/81/70/52/1007817052.db2.gz COJRCIYMUHKMHW-AWEZNQCLSA-N 1 3 322.457 0.637 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccnn1C ZINC001438342011 1007840104 /nfs/dbraw/zinc/84/01/04/1007840104.db2.gz HGPJQRUMSGMISH-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)NCC(=O)NC)C1 ZINC001438343157 1007840711 /nfs/dbraw/zinc/84/07/11/1007840711.db2.gz ZNDYNZSEBLPERY-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](CC)NCC(=O)NC)C1 ZINC001438343157 1007840719 /nfs/dbraw/zinc/84/07/19/1007840719.db2.gz ZNDYNZSEBLPERY-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1cnn(C)c1 ZINC001438378692 1007871135 /nfs/dbraw/zinc/87/11/35/1007871135.db2.gz XKQOKPCPSRUUKX-CQSZACIVSA-N 1 3 318.425 0.721 20 0 DCADHO CCNC(=O)CNCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001438406029 1007882553 /nfs/dbraw/zinc/88/25/53/1007882553.db2.gz LDGFGHYAZWJXSI-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)CNCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001438406029 1007882565 /nfs/dbraw/zinc/88/25/65/1007882565.db2.gz LDGFGHYAZWJXSI-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001440596467 1007908245 /nfs/dbraw/zinc/90/82/45/1007908245.db2.gz SKEIEVLCJRREGO-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001438455149 1007919779 /nfs/dbraw/zinc/91/97/79/1007919779.db2.gz ITDSEUJSBLXYPL-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001438461491 1007922354 /nfs/dbraw/zinc/92/23/54/1007922354.db2.gz XWOMKZBIWJEBRE-CYBMUJFWSA-N 1 3 308.430 0.330 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001440801815 1008034102 /nfs/dbraw/zinc/03/41/02/1008034102.db2.gz PBURBKYHQOJTTD-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001441271492 1008299540 /nfs/dbraw/zinc/29/95/40/1008299540.db2.gz MTANNEXEGKNDJO-LSDHHAIUSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001441271492 1008299542 /nfs/dbraw/zinc/29/95/42/1008299542.db2.gz MTANNEXEGKNDJO-LSDHHAIUSA-N 1 3 305.426 0.356 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001441381054 1008340265 /nfs/dbraw/zinc/34/02/65/1008340265.db2.gz SWLPDICYIHYREW-SHTZXODSSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001441410603 1008348568 /nfs/dbraw/zinc/34/85/68/1008348568.db2.gz DWUXJDJABCWWOZ-AJNGGQMLSA-N 1 3 324.469 0.609 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441508906 1008383299 /nfs/dbraw/zinc/38/32/99/1008383299.db2.gz HADDICSWLMWGTD-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001441528023 1008390716 /nfs/dbraw/zinc/39/07/16/1008390716.db2.gz WUSAVRQBQVHPBG-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001441528023 1008390720 /nfs/dbraw/zinc/39/07/20/1008390720.db2.gz WUSAVRQBQVHPBG-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001441801408 1008510281 /nfs/dbraw/zinc/51/02/81/1008510281.db2.gz SJCGLEZAAQGVFD-SJORKVTESA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001441801408 1008510283 /nfs/dbraw/zinc/51/02/83/1008510283.db2.gz SJCGLEZAAQGVFD-SJORKVTESA-N 1 3 319.449 0.822 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001441826910 1008525834 /nfs/dbraw/zinc/52/58/34/1008525834.db2.gz QUCCRONWZBZUQG-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001441826917 1008526089 /nfs/dbraw/zinc/52/60/89/1008526089.db2.gz QUCCRONWZBZUQG-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001453503607 1008536875 /nfs/dbraw/zinc/53/68/75/1008536875.db2.gz GTKFWXSXWBQYTA-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001453503607 1008536883 /nfs/dbraw/zinc/53/68/83/1008536883.db2.gz GTKFWXSXWBQYTA-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001421418772 1008557123 /nfs/dbraw/zinc/55/71/23/1008557123.db2.gz ITVJFYYXVVFJJW-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CCC)C1 ZINC001441874301 1008611083 /nfs/dbraw/zinc/61/10/83/1008611083.db2.gz PGYHHQKXRVQZIA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001441935304 1008674807 /nfs/dbraw/zinc/67/48/07/1008674807.db2.gz JOCVVHREVAZDLM-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](F)CNC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001442030291 1008836546 /nfs/dbraw/zinc/83/65/46/1008836546.db2.gz BWJWPFDSPKSOMC-QWHCGFSZSA-N 1 3 301.406 0.239 20 0 DCADHO C[C@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001433481642 1008839848 /nfs/dbraw/zinc/83/98/48/1008839848.db2.gz CRXBZPNNLZKZFV-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@@H](C)C(N)=O ZINC001422029885 1009414757 /nfs/dbraw/zinc/41/47/57/1009414757.db2.gz NBCFMLQNTCJXHU-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001422048557 1009432998 /nfs/dbraw/zinc/43/29/98/1009432998.db2.gz WAPMVTGOIBJWOO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001442524547 1009441311 /nfs/dbraw/zinc/44/13/11/1009441311.db2.gz JJXLJBGYIFUBSE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)N1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001422184754 1009623241 /nfs/dbraw/zinc/62/32/41/1009623241.db2.gz OVQNNPOTIUCDJS-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1(CO)CCN(C[C@@H](C)O)CC1 ZINC001422194531 1009630931 /nfs/dbraw/zinc/63/09/31/1009630931.db2.gz KOEXFJVSSKQPBB-CQSZACIVSA-N 1 3 315.458 0.042 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1(CO)CCN(C[C@@H](C)O)CC1 ZINC001422194531 1009630937 /nfs/dbraw/zinc/63/09/37/1009630937.db2.gz KOEXFJVSSKQPBB-CQSZACIVSA-N 1 3 315.458 0.042 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](O)COC)N(C)C ZINC001422225676 1009670658 /nfs/dbraw/zinc/67/06/58/1009670658.db2.gz IHXQSRBDZMEQNP-QLFBSQMISA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@H](O)COC)N(C)C ZINC001422225676 1009670663 /nfs/dbraw/zinc/67/06/63/1009670663.db2.gz IHXQSRBDZMEQNP-QLFBSQMISA-N 1 3 315.458 0.257 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001442747997 1009695393 /nfs/dbraw/zinc/69/53/93/1009695393.db2.gz KMGVOLHHJYNGCO-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001442747997 1009695397 /nfs/dbraw/zinc/69/53/97/1009695397.db2.gz KMGVOLHHJYNGCO-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C(C)C ZINC001422273714 1009750571 /nfs/dbraw/zinc/75/05/71/1009750571.db2.gz OQYQWVBPILXRGY-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1nc(C)n(CCN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001442795713 1009752202 /nfs/dbraw/zinc/75/22/02/1009752202.db2.gz BZOHCEDAACPELW-OAHLLOKOSA-N 1 3 322.457 0.427 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H](CC[NH+](C)C)C2)CC1 ZINC001434354968 1009820279 /nfs/dbraw/zinc/82/02/79/1009820279.db2.gz JAGSEVRSWXGWEA-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@@H](C)C1)C(=O)CC[NH+](C)C ZINC001455689639 1009907322 /nfs/dbraw/zinc/90/73/22/1009907322.db2.gz WYWONCXWDXBYTL-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCN1CCCC1=O ZINC001442975415 1009989621 /nfs/dbraw/zinc/98/96/21/1009989621.db2.gz UUDPBNVAICGQQY-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCN1CCCC1=O ZINC001442975415 1009989628 /nfs/dbraw/zinc/98/96/28/1009989628.db2.gz UUDPBNVAICGQQY-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CC)CC(=O)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001455892252 1010024150 /nfs/dbraw/zinc/02/41/50/1010024150.db2.gz RPPQOCXBJJJPEI-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001455892252 1010024165 /nfs/dbraw/zinc/02/41/65/1010024165.db2.gz RPPQOCXBJJJPEI-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+][C@H]2CCNC2=O)CCC1 ZINC001422437387 1010083760 /nfs/dbraw/zinc/08/37/60/1010083760.db2.gz BHHSJMFKZRFGCL-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001422449316 1010105200 /nfs/dbraw/zinc/10/52/00/1010105200.db2.gz KZKRHGNVFSWJBV-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001422449316 1010105207 /nfs/dbraw/zinc/10/52/07/1010105207.db2.gz KZKRHGNVFSWJBV-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001443072013 1010109459 /nfs/dbraw/zinc/10/94/59/1010109459.db2.gz BRUOINPCJLWQIC-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccnn1C)N(C)C ZINC001422516852 1010225656 /nfs/dbraw/zinc/22/56/56/1010225656.db2.gz COHWQGJPOCGPDF-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001422516852 1010225665 /nfs/dbraw/zinc/22/56/65/1010225665.db2.gz COHWQGJPOCGPDF-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnn(C)c(=O)c1 ZINC001434757619 1010247880 /nfs/dbraw/zinc/24/78/80/1010247880.db2.gz NGJJSGFDOZEEAD-LBPRGKRZSA-N 1 3 324.429 0.174 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnn(C)c(=O)c1 ZINC001434757619 1010247887 /nfs/dbraw/zinc/24/78/87/1010247887.db2.gz NGJJSGFDOZEEAD-LBPRGKRZSA-N 1 3 324.429 0.174 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001422618130 1010410763 /nfs/dbraw/zinc/41/07/63/1010410763.db2.gz ODJBOHPRQLVANO-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C12CCC[NH+]1CCC2 ZINC001422846276 1010667751 /nfs/dbraw/zinc/66/77/51/1010667751.db2.gz DSJQADRTPOSAST-AWEZNQCLSA-N 1 3 320.441 0.343 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001422892457 1010708896 /nfs/dbraw/zinc/70/88/96/1010708896.db2.gz GLTKDSWWLXARRE-JHJVBQTASA-N 1 3 310.442 0.090 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001422914057 1010732824 /nfs/dbraw/zinc/73/28/24/1010732824.db2.gz ZJEQYHGXLURKGX-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001422914057 1010732831 /nfs/dbraw/zinc/73/28/31/1010732831.db2.gz ZJEQYHGXLURKGX-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422925269 1010744110 /nfs/dbraw/zinc/74/41/10/1010744110.db2.gz SMGGCNDTODMMDR-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422925269 1010744118 /nfs/dbraw/zinc/74/41/18/1010744118.db2.gz SMGGCNDTODMMDR-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001443929661 1010755980 /nfs/dbraw/zinc/75/59/80/1010755980.db2.gz HMNBDYFSMSDEFY-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO Cn1cnnc1CNC[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001422937376 1010757039 /nfs/dbraw/zinc/75/70/39/1010757039.db2.gz PFJLCRTVULTMJM-KGLIPLIRSA-N 1 3 322.457 0.531 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001443933635 1010758839 /nfs/dbraw/zinc/75/88/39/1010758839.db2.gz VJNAPAJQBIBAFC-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001443985721 1010791078 /nfs/dbraw/zinc/79/10/78/1010791078.db2.gz NLVZPUIWVNCEKC-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H]2CCN(C)C2=O)CCCC1 ZINC001444090632 1010847551 /nfs/dbraw/zinc/84/75/51/1010847551.db2.gz SXYRMUPFJPFBEE-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1ccnn1C ZINC001423105663 1010893228 /nfs/dbraw/zinc/89/32/28/1010893228.db2.gz OKDONJZYVVRPBK-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1nc([C@H](C)N[C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001423145971 1010924094 /nfs/dbraw/zinc/92/40/94/1010924094.db2.gz ITSLGFMRSMSYLS-RYUDHWBXSA-N 1 3 320.441 0.706 20 0 DCADHO C[C@H](C[NH2+]Cc1cncn1C)N(C)C(=O)[C@H]1CCCCN1C ZINC001444625378 1011102515 /nfs/dbraw/zinc/10/25/15/1011102515.db2.gz VELYMNRRLXUGGC-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001423457509 1011162271 /nfs/dbraw/zinc/16/22/71/1011162271.db2.gz XAHGURTZYZLCIN-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N(C)C)CC[N@H+]1C ZINC001423457509 1011162273 /nfs/dbraw/zinc/16/22/73/1011162273.db2.gz XAHGURTZYZLCIN-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001444825804 1011182052 /nfs/dbraw/zinc/18/20/52/1011182052.db2.gz KGKHYVAGOCTMEJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccnn1C ZINC001444931111 1011217433 /nfs/dbraw/zinc/21/74/33/1011217433.db2.gz ABNMMSORLWAWHG-HNNXBMFYSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C1CCCC1 ZINC001423539736 1011231304 /nfs/dbraw/zinc/23/13/04/1011231304.db2.gz ZEXDDLXNUYQSHM-TZMCWYRMSA-N 1 3 312.458 0.465 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001423648898 1011389657 /nfs/dbraw/zinc/38/96/57/1011389657.db2.gz VWCRGTXDQVTZRR-YOEHRIQHSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001431659324 1011512578 /nfs/dbraw/zinc/51/25/78/1011512578.db2.gz BSRFMRSTHKKUTL-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001534141462 1011551432 /nfs/dbraw/zinc/55/14/32/1011551432.db2.gz VXNGSEMAVULART-MELADBBJSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001534141462 1011551446 /nfs/dbraw/zinc/55/14/46/1011551446.db2.gz VXNGSEMAVULART-MELADBBJSA-N 1 3 312.458 0.145 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)c1ccccc1 ZINC001553403940 1011940592 /nfs/dbraw/zinc/94/05/92/1011940592.db2.gz BMUAZRPSEHAZHY-CAOSSQGBSA-N 1 3 303.406 0.925 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001553445572 1011981373 /nfs/dbraw/zinc/98/13/73/1011981373.db2.gz NZHIOBULURBACB-UXLLHSPISA-N 1 3 322.453 0.777 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001553449739 1011984467 /nfs/dbraw/zinc/98/44/67/1011984467.db2.gz NQPNYWOLXQFRJF-GDBMZVCRSA-N 1 3 310.442 0.635 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001445608056 1011996611 /nfs/dbraw/zinc/99/66/11/1011996611.db2.gz VYEJEWGYZAYIGR-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO CN1CCN(CCNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1(C)C ZINC001553479847 1012013094 /nfs/dbraw/zinc/01/30/94/1012013094.db2.gz MBGLTBXUMDSQFK-PBHICJAKSA-N 1 3 323.485 0.454 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553497484 1012032793 /nfs/dbraw/zinc/03/27/93/1012032793.db2.gz SGLDSJOPTLXAML-CABCVRRESA-N 1 3 310.442 0.227 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001432303225 1012288005 /nfs/dbraw/zinc/28/80/05/1012288005.db2.gz ONFFYHCCVIJWTD-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001432303225 1012288022 /nfs/dbraw/zinc/28/80/22/1012288022.db2.gz ONFFYHCCVIJWTD-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CCn1cc(CCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001445871406 1012381326 /nfs/dbraw/zinc/38/13/26/1012381326.db2.gz POSKYNWWNMLYNM-GOEBONIOSA-N 1 3 321.469 0.834 20 0 DCADHO CCn1cc(CCN(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001445871406 1012381340 /nfs/dbraw/zinc/38/13/40/1012381340.db2.gz POSKYNWWNMLYNM-GOEBONIOSA-N 1 3 321.469 0.834 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](CNCc1cnnn1C)C1CC1)[NH+](C)C ZINC001445976297 1012473386 /nfs/dbraw/zinc/47/33/86/1012473386.db2.gz DOKTYBALDKQKGD-HUUCEWRRSA-N 1 3 322.457 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001432455852 1012508726 /nfs/dbraw/zinc/50/87/26/1012508726.db2.gz XLYYYFLPWVOBOH-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001432455852 1012508736 /nfs/dbraw/zinc/50/87/36/1012508736.db2.gz XLYYYFLPWVOBOH-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001424508375 1012595662 /nfs/dbraw/zinc/59/56/62/1012595662.db2.gz AKMHAOWQXFIQRZ-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CN1C1CC1 ZINC001548554215 1012705827 /nfs/dbraw/zinc/70/58/27/1012705827.db2.gz DILQJBIQDGWEBI-BFQNTYOBSA-N 1 3 306.410 0.626 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548556640 1012710530 /nfs/dbraw/zinc/71/05/30/1012710530.db2.gz BLEPEYWBMJBMQM-KMFMINBZSA-N 1 3 301.390 0.368 20 0 DCADHO O=C(N[C@H]1COC2(CNC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC001548569028 1012729457 /nfs/dbraw/zinc/72/94/57/1012729457.db2.gz LPHGDYHSOOZEMQ-OAHLLOKOSA-N 1 3 315.417 0.555 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429743998 1012732515 /nfs/dbraw/zinc/73/25/15/1012732515.db2.gz WGIAKFDHEFRRMA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429743998 1012732534 /nfs/dbraw/zinc/73/25/34/1012732534.db2.gz WGIAKFDHEFRRMA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC1(C)CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC2(CNC2)O1 ZINC001548577066 1012750491 /nfs/dbraw/zinc/75/04/91/1012750491.db2.gz XXBDASOKOSKTID-NSHDSACASA-N 1 3 319.409 0.080 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1nc[nH]c1C ZINC001432832207 1012944549 /nfs/dbraw/zinc/94/45/49/1012944549.db2.gz BCBAXTUFXDTITE-GFCCVEGCSA-N 1 3 309.414 0.223 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)C[N@@H+]2C1 ZINC001548704651 1013000282 /nfs/dbraw/zinc/00/02/82/1013000282.db2.gz DOELZXBZRIALNM-HMDCTGQHSA-N 1 3 321.465 0.774 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)C[N@H+]2C1 ZINC001548704651 1013000303 /nfs/dbraw/zinc/00/03/03/1013000303.db2.gz DOELZXBZRIALNM-HMDCTGQHSA-N 1 3 321.465 0.774 20 0 DCADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001515317304 1017116259 /nfs/dbraw/zinc/11/62/59/1017116259.db2.gz AYGVQIRYCOFLSB-KKSLWYRISA-N 1 3 307.438 0.600 20 0 DCADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCOC2)CC1 ZINC001494666769 1017934323 /nfs/dbraw/zinc/93/43/23/1017934323.db2.gz KMTSKXDNSYASAE-KKUMJFAQSA-N 1 3 307.438 0.650 20 0 DCADHO C[C@@H](CC[NH2+]CCn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001497207411 1017970365 /nfs/dbraw/zinc/97/03/65/1017970365.db2.gz YGDXAOSQDPUGMZ-AWEZNQCLSA-N 1 3 307.442 0.852 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499614016 1017996208 /nfs/dbraw/zinc/99/62/08/1017996208.db2.gz JPJWUGATIMJVCD-PBHICJAKSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497272265 1018012094 /nfs/dbraw/zinc/01/20/94/1018012094.db2.gz QYYDTDQUSXRODB-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001497272265 1018012109 /nfs/dbraw/zinc/01/21/09/1018012109.db2.gz QYYDTDQUSXRODB-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001497441962 1018140319 /nfs/dbraw/zinc/14/03/19/1018140319.db2.gz BBYOFQGWYLNVPQ-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001497441962 1018140331 /nfs/dbraw/zinc/14/03/31/1018140331.db2.gz BBYOFQGWYLNVPQ-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001499929695 1018140727 /nfs/dbraw/zinc/14/07/27/1018140727.db2.gz JXGKPQAGTXVZAQ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001499929695 1018140736 /nfs/dbraw/zinc/14/07/36/1018140736.db2.gz JXGKPQAGTXVZAQ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nncc1CN[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001480044287 1018157544 /nfs/dbraw/zinc/15/75/44/1018157544.db2.gz SJQYGCQVJLDJQL-AWEZNQCLSA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001494993904 1018218315 /nfs/dbraw/zinc/21/83/15/1018218315.db2.gz FNELNCCQVLGPED-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497680685 1018331253 /nfs/dbraw/zinc/33/12/53/1018331253.db2.gz MZIYUJNUPZOQBT-KOSBQPCFSA-N 1 3 315.433 0.842 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(CCn3cncn3)C2)C1 ZINC001500279067 1018375985 /nfs/dbraw/zinc/37/59/85/1018375985.db2.gz AZBGEZADKCDVCM-GDBMZVCRSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(CCn3cncn3)C2)C1 ZINC001500279067 1018375992 /nfs/dbraw/zinc/37/59/92/1018375992.db2.gz AZBGEZADKCDVCM-GDBMZVCRSA-N 1 3 320.441 0.201 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001480307876 1018415336 /nfs/dbraw/zinc/41/53/36/1018415336.db2.gz WUEPEJZUQRSLOR-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(C)CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001500463391 1018459583 /nfs/dbraw/zinc/45/95/83/1018459583.db2.gz ZBAQPMWRUFJFPT-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2(C)CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001500463391 1018459589 /nfs/dbraw/zinc/45/95/89/1018459589.db2.gz ZBAQPMWRUFJFPT-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497963551 1018545755 /nfs/dbraw/zinc/54/57/55/1018545755.db2.gz YMIFAMZGIIVHFX-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497963551 1018545771 /nfs/dbraw/zinc/54/57/71/1018545771.db2.gz YMIFAMZGIIVHFX-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)C12CCC[NH+]1CCC2 ZINC001498066086 1018625822 /nfs/dbraw/zinc/62/58/22/1018625822.db2.gz DSAZUYUJKFBRPH-ZDUSSCGKSA-N 1 3 305.426 0.643 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@H]1CCNC1=O ZINC001495720782 1018668816 /nfs/dbraw/zinc/66/88/16/1018668816.db2.gz VUEPVXWBZFAGFZ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001480595817 1018693197 /nfs/dbraw/zinc/69/31/97/1018693197.db2.gz DJJZYMIMMJYBNZ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001480624905 1018720420 /nfs/dbraw/zinc/72/04/20/1018720420.db2.gz POSVBTVNGHCUGO-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501161511 1018931121 /nfs/dbraw/zinc/93/11/21/1018931121.db2.gz JNAFFRYRCDPKNN-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501161511 1018931127 /nfs/dbraw/zinc/93/11/27/1018931127.db2.gz JNAFFRYRCDPKNN-CABCVRRESA-N 1 3 324.469 0.197 20 0 DCADHO CN(CCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)CN1CCCC1 ZINC001501161471 1018931813 /nfs/dbraw/zinc/93/18/13/1018931813.db2.gz IZLJUGLYXQIMMY-UHFFFAOYSA-N 1 3 322.453 0.095 20 0 DCADHO C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001496156486 1019121726 /nfs/dbraw/zinc/12/17/26/1019121726.db2.gz ZLAVLDCKRBCUFR-IUODEOHRSA-N 1 3 303.422 0.628 20 0 DCADHO CCN(C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001496230584 1019180886 /nfs/dbraw/zinc/18/08/86/1019180886.db2.gz ZEJBDIBMAOCJQH-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001496230584 1019180891 /nfs/dbraw/zinc/18/08/91/1019180891.db2.gz ZEJBDIBMAOCJQH-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCC[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CCCN1C ZINC001498526303 1019194283 /nfs/dbraw/zinc/19/42/83/1019194283.db2.gz PDGDHJDOKKUCJU-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC(=O)N2CCC2)CCC1 ZINC001498559098 1019228035 /nfs/dbraw/zinc/22/80/35/1019228035.db2.gz BTPBEXIWXXWEEU-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001498589097 1019248450 /nfs/dbraw/zinc/24/84/50/1019248450.db2.gz RWOZJRGLSJQFRD-UHFFFAOYSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC(=O)N2CCC2)C2CC2)CCC1 ZINC001498770580 1019413827 /nfs/dbraw/zinc/41/38/27/1019413827.db2.gz PJMMFYQSAUHSGE-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001498804125 1019437677 /nfs/dbraw/zinc/43/76/77/1019437677.db2.gz SRHVHHTZKMYTSL-AAEUAGOBSA-N 1 3 310.442 0.219 20 0 DCADHO CN(CCNCC(=O)N1CCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001493719437 1019659605 /nfs/dbraw/zinc/65/96/05/1019659605.db2.gz CHTGFYBAOLZSMN-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001493807127 1019728532 /nfs/dbraw/zinc/72/85/32/1019728532.db2.gz VWNGXNAOLUEHLR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CC(N)=O ZINC001493870958 1019779842 /nfs/dbraw/zinc/77/98/42/1019779842.db2.gz HFNMAOWABCXWSG-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CC(N)=O ZINC001493870958 1019779856 /nfs/dbraw/zinc/77/98/56/1019779856.db2.gz HFNMAOWABCXWSG-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001494091449 1019979339 /nfs/dbraw/zinc/97/93/39/1019979339.db2.gz ATNDQTZSRYEELE-HZPDHXFCSA-N 1 3 310.486 0.811 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001494091449 1019979348 /nfs/dbraw/zinc/97/93/48/1019979348.db2.gz ATNDQTZSRYEELE-HZPDHXFCSA-N 1 3 310.486 0.811 20 0 DCADHO CN(C)CCOc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000183163309 282109643 /nfs/dbraw/zinc/10/96/43/282109643.db2.gz ZGQAYVVJRLBLHL-AWEZNQCLSA-N 1 3 306.410 0.798 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332629430 529959823 /nfs/dbraw/zinc/95/98/23/529959823.db2.gz JHCLKWZLUJTXPH-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCN(C(=O)CC2CCN(C[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000346854459 282892017 /nfs/dbraw/zinc/89/20/17/282892017.db2.gz UHLWFPFMGCJKOI-QGZVFWFLSA-N 1 3 322.497 0.862 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000342753287 291049885 /nfs/dbraw/zinc/04/98/85/291049885.db2.gz POGKGZKVJANZCP-DVOMOZLQSA-N 1 3 313.442 0.894 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332137577 283549417 /nfs/dbraw/zinc/54/94/17/283549417.db2.gz DHTXVYQASOUIFX-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)[NH2+]CCC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000167211702 291248910 /nfs/dbraw/zinc/24/89/10/291248910.db2.gz BUKHQJUNALCGCT-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(=O)NCC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000323226790 291258372 /nfs/dbraw/zinc/25/83/72/291258372.db2.gz WZCZOEMSQGOTPS-ROUUACIJSA-N 1 3 319.449 0.765 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410474621 239285116 /nfs/dbraw/zinc/28/51/16/239285116.db2.gz XVPCYSBZBIUIFB-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410440848 239279200 /nfs/dbraw/zinc/27/92/00/239279200.db2.gz XRLYHXHQIQJBFK-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1=O ZINC000566295064 291291971 /nfs/dbraw/zinc/29/19/71/291291971.db2.gz PTFLQSOLIMEQPB-KKUMJFAQSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419986180 239999476 /nfs/dbraw/zinc/99/94/76/239999476.db2.gz XHXACPFKHRWPKG-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420028731 240011039 /nfs/dbraw/zinc/01/10/39/240011039.db2.gz DKFACKIXHHBRBU-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N(C)CC[NH3+] ZINC000423128516 240195767 /nfs/dbraw/zinc/19/57/67/240195767.db2.gz KTMMDIRVBMAVTE-UHFFFAOYSA-N 1 3 300.447 0.230 20 0 DCADHO COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000567161016 291340209 /nfs/dbraw/zinc/34/02/09/291340209.db2.gz IHDDDOYYWFGJLQ-OAHLLOKOSA-N 1 3 313.486 0.921 20 0 DCADHO CCN1CCN(c2cccc(NC(=O)NC3C[NH2+]C3)c2)CC1 ZINC000569200868 291466187 /nfs/dbraw/zinc/46/61/87/291466187.db2.gz WUKDMXXBKFIFOM-UHFFFAOYSA-N 1 3 303.410 0.922 20 0 DCADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)COC1CNC1 ZINC000569240501 291468912 /nfs/dbraw/zinc/46/89/12/291468912.db2.gz VJMHNJMSBIKXRQ-GFCCVEGCSA-N 1 3 324.450 0.378 20 0 DCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000105329097 284337521 /nfs/dbraw/zinc/33/75/21/284337521.db2.gz YFZPPQDYRDLVPP-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1 ZINC000105329097 284337522 /nfs/dbraw/zinc/33/75/22/284337522.db2.gz YFZPPQDYRDLVPP-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000339666879 253123088 /nfs/dbraw/zinc/12/30/88/253123088.db2.gz AKIRIXBSYFDDTO-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339744398 253136359 /nfs/dbraw/zinc/13/63/59/253136359.db2.gz JQMOSUKBLSUDAS-UHFFFAOYSA-N 1 3 320.437 0.384 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340207059 253216757 /nfs/dbraw/zinc/21/67/57/253216757.db2.gz ALHVIWZHODRQNZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340207059 253216759 /nfs/dbraw/zinc/21/67/59/253216759.db2.gz ALHVIWZHODRQNZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000340261350 253226464 /nfs/dbraw/zinc/22/64/64/253226464.db2.gz QHHVWDMELLQUKU-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340476890 253260771 /nfs/dbraw/zinc/26/07/71/253260771.db2.gz CLZRYZJFGVCGFH-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340476890 253260774 /nfs/dbraw/zinc/26/07/74/253260774.db2.gz CLZRYZJFGVCGFH-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)C[NH+]1CCCC1 ZINC000340802420 253306562 /nfs/dbraw/zinc/30/65/62/253306562.db2.gz SRBDPMHCITZIKC-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346457157 254054207 /nfs/dbraw/zinc/05/42/07/254054207.db2.gz MFJITBKQLBFCQV-QLFBSQMISA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346457157 254054208 /nfs/dbraw/zinc/05/42/08/254054208.db2.gz MFJITBKQLBFCQV-QLFBSQMISA-N 1 3 324.469 0.195 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347038427 254124281 /nfs/dbraw/zinc/12/42/81/254124281.db2.gz YKRLVUKGNWFIOL-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347038427 254124282 /nfs/dbraw/zinc/12/42/82/254124282.db2.gz YKRLVUKGNWFIOL-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000348161797 254223755 /nfs/dbraw/zinc/22/37/55/254223755.db2.gz RYXHAUBDXMHOED-HZPDHXFCSA-N 1 3 310.486 0.907 20 0 DCADHO Cc1nccn1CCC[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000348754535 254252230 /nfs/dbraw/zinc/25/22/30/254252230.db2.gz AMRIBWSKSPSVGO-INIZCTEOSA-N 1 3 319.453 0.725 20 0 DCADHO Cc1nccn1CCC[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000348754535 254252231 /nfs/dbraw/zinc/25/22/31/254252231.db2.gz AMRIBWSKSPSVGO-INIZCTEOSA-N 1 3 319.453 0.725 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCN(C)C ZINC000349421130 254282376 /nfs/dbraw/zinc/28/23/76/254282376.db2.gz ZNWIHFUYYZRHFO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CCN(C)C ZINC000349421130 254282377 /nfs/dbraw/zinc/28/23/77/254282377.db2.gz ZNWIHFUYYZRHFO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc[nH]c(=O)c1 ZINC000152167816 285281179 /nfs/dbraw/zinc/28/11/79/285281179.db2.gz HMFNQUSGZOKXEU-HNNXBMFYSA-N 1 3 320.437 0.863 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc[nH]c(=O)c1 ZINC000152167816 285281180 /nfs/dbraw/zinc/28/11/80/285281180.db2.gz HMFNQUSGZOKXEU-HNNXBMFYSA-N 1 3 320.437 0.863 20 0 DCADHO COC[C@@]1(CNC(=O)NC[C@@H](N)c2ccccc2)CCC[NH2+]1 ZINC000418450214 285324533 /nfs/dbraw/zinc/32/45/33/285324533.db2.gz LFNDDKJLAHFGSC-ZBFHGGJFSA-N 1 3 306.410 0.754 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000417808830 262262230 /nfs/dbraw/zinc/26/22/30/262262230.db2.gz LSJVJKGUFPQUPG-ZDUSSCGKSA-N 1 3 300.447 0.912 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418745380 262287133 /nfs/dbraw/zinc/28/71/33/262287133.db2.gz GQKOSFWJZIJRHT-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO Cc1nn2c(CNCC3(O)CC[NH+](C)CC3)c(C)nc2s1 ZINC000271233653 395849663 /nfs/dbraw/zinc/84/96/63/395849663.db2.gz RIADXXLIARSWEO-UHFFFAOYSA-N 1 3 309.439 0.954 20 0 DCADHO CCCCN(C)CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000236713674 395896951 /nfs/dbraw/zinc/89/69/51/395896951.db2.gz CFUFSWQCQFZBAL-UHFFFAOYSA-N 1 3 322.457 0.973 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000236884361 395900218 /nfs/dbraw/zinc/90/02/18/395900218.db2.gz KFGOOFRRILIJRH-NVXWUHKLSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N1CCCCCC1 ZINC000237390837 395912139 /nfs/dbraw/zinc/91/21/39/395912139.db2.gz NETFRIGTBXMZDJ-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO O=C(NC[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1)[C@@H]1CCC[NH2+]1 ZINC000238005973 395920896 /nfs/dbraw/zinc/92/08/96/395920896.db2.gz ASFCJDLEFBDANI-QLFBSQMISA-N 1 3 322.453 0.235 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCOCC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261843618 396072033 /nfs/dbraw/zinc/07/20/33/396072033.db2.gz LUHSIMYASWRCQV-HOTGVXAUSA-N 1 3 309.454 0.993 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000155050160 396046328 /nfs/dbraw/zinc/04/63/28/396046328.db2.gz GARJEULOGJWRNE-CQSZACIVSA-N 1 3 306.410 0.846 20 0 DCADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000261983241 396086499 /nfs/dbraw/zinc/08/64/99/396086499.db2.gz IXUZUAULSLYMGD-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO Cn1nnc2cc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)ccc21 ZINC000262155167 396105156 /nfs/dbraw/zinc/10/51/56/396105156.db2.gz RRZAINUBEWPZMS-CQSZACIVSA-N 1 3 300.410 0.448 20 0 DCADHO C[C@@H](C[NH3+])C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262408350 396136830 /nfs/dbraw/zinc/13/68/30/396136830.db2.gz QIYICQIUDGZKFQ-LBPRGKRZSA-N 1 3 318.421 0.917 20 0 DCADHO CCOCCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000279018467 396147826 /nfs/dbraw/zinc/14/78/26/396147826.db2.gz OIUSWYHQXGMCRR-ZDUSSCGKSA-N 1 3 321.425 0.281 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073947058 396153149 /nfs/dbraw/zinc/15/31/49/396153149.db2.gz MFJITBKQLBFCQV-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073947058 396153152 /nfs/dbraw/zinc/15/31/52/396153152.db2.gz MFJITBKQLBFCQV-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263261379 396210237 /nfs/dbraw/zinc/21/02/37/396210237.db2.gz SPRIDIYKUGLARZ-HIFRSBDPSA-N 1 3 312.458 0.276 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263261379 396210242 /nfs/dbraw/zinc/21/02/42/396210242.db2.gz SPRIDIYKUGLARZ-HIFRSBDPSA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)CCOc1ccccc1N1CCN(C(=O)CC[NH3+])CC1 ZINC000262656669 396168967 /nfs/dbraw/zinc/16/89/67/396168967.db2.gz UTKRWDZBPBAVDI-UHFFFAOYSA-N 1 3 320.437 0.624 20 0 DCADHO [NH3+]CCN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000262958595 396194616 /nfs/dbraw/zinc/19/46/16/396194616.db2.gz KKAJRHBGEWMXNH-INIZCTEOSA-N 1 3 303.454 0.874 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000263116114 396201964 /nfs/dbraw/zinc/20/19/64/396201964.db2.gz FWZFAGBGSRWSEM-HIFRSBDPSA-N 1 3 312.458 0.323 20 0 DCADHO CCN1CCN(CCC[NH2+][C@H](C)CS(=O)(=O)CC)CC1 ZINC000182407968 396250846 /nfs/dbraw/zinc/25/08/46/396250846.db2.gz AHOCLEZNTMPVFH-CQSZACIVSA-N 1 3 305.488 0.427 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000285866077 396358935 /nfs/dbraw/zinc/35/89/35/396358935.db2.gz BGMURUJDDYXTCO-AWEZNQCLSA-N 1 3 305.426 0.305 20 0 DCADHO CC[NH+](CC)CCN(CCOC)C(=O)c1[nH]nc2c1CNCC2 ZINC000188759362 396385893 /nfs/dbraw/zinc/38/58/93/396385893.db2.gz UVBOGCSYYPWAKT-UHFFFAOYSA-N 1 3 323.441 0.486 20 0 DCADHO CCOC[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000580709854 396494184 /nfs/dbraw/zinc/49/41/84/396494184.db2.gz OTQXYZWPHPUSIS-SFHVURJKSA-N 1 3 321.465 0.921 20 0 DCADHO CN1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](CN)C1 ZINC000581121239 396527338 /nfs/dbraw/zinc/52/73/38/396527338.db2.gz PUWNKUUYYGRLIC-KGLIPLIRSA-N 1 3 313.490 0.637 20 0 DCADHO NC(=O)NC(=O)CCNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581424722 396552963 /nfs/dbraw/zinc/55/29/63/396552963.db2.gz DJYMSEDJDQQSHS-CQSZACIVSA-N 1 3 304.394 0.683 20 0 DCADHO NC(=O)NC(=O)CCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581424722 396552964 /nfs/dbraw/zinc/55/29/64/396552964.db2.gz DJYMSEDJDQQSHS-CQSZACIVSA-N 1 3 304.394 0.683 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000595138464 396555361 /nfs/dbraw/zinc/55/53/61/396555361.db2.gz DKHQTLOPGKBWLH-HNNXBMFYSA-N 1 3 306.458 0.542 20 0 DCADHO CCCN(CCN(C)C)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000581491423 396559598 /nfs/dbraw/zinc/55/95/98/396559598.db2.gz SIJWJEYORVFCRU-UHFFFAOYSA-N 1 3 322.457 0.925 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CCCCCC1=O ZINC000531357752 396595212 /nfs/dbraw/zinc/59/52/12/396595212.db2.gz FJJBDHRVYWBSLE-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCN1CCOCC1 ZINC000374429953 396664098 /nfs/dbraw/zinc/66/40/98/396664098.db2.gz QPXCQCGWQQUSSO-ZACQAIPSSA-N 1 3 311.470 0.892 20 0 DCADHO COC(=O)CCN1CC[C@@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000595895355 396677764 /nfs/dbraw/zinc/67/77/64/396677764.db2.gz JTXFZTIBOUJPDQ-HUUCEWRRSA-N 1 3 323.437 0.472 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000595895807 396678625 /nfs/dbraw/zinc/67/86/25/396678625.db2.gz VUAKBBDLFKISOU-ZDUSSCGKSA-N 1 3 309.410 0.226 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000562801194 396680604 /nfs/dbraw/zinc/68/06/04/396680604.db2.gz HEGFVGPCYWHKJX-ZDUSSCGKSA-N 1 3 312.458 0.927 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)CC1 ZINC000595930072 396685117 /nfs/dbraw/zinc/68/51/17/396685117.db2.gz NOPIHDYRJKUBKS-XHSDSOJGSA-N 1 3 308.470 0.741 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000563037603 396695599 /nfs/dbraw/zinc/69/55/99/396695599.db2.gz AVDQAUYXABDWOV-UHFFFAOYSA-N 1 3 316.409 0.619 20 0 DCADHO [NH3+][C@H]1CCc2ncc(NC(=O)CNC[C@H]3CCCO3)cc2C1 ZINC000564442938 396832355 /nfs/dbraw/zinc/83/23/55/396832355.db2.gz KMSVDDCVKLSQHQ-GXTWGEPZSA-N 1 3 304.394 0.605 20 0 DCADHO C[NH+]1CCC(N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000376059973 396869192 /nfs/dbraw/zinc/86/91/92/396869192.db2.gz UESVUDCUUICBGE-CYBMUJFWSA-N 1 3 301.456 0.627 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000564584864 396845291 /nfs/dbraw/zinc/84/52/91/396845291.db2.gz IFBHIVDLTVQRLC-CQSZACIVSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000316940234 396799503 /nfs/dbraw/zinc/79/95/03/396799503.db2.gz GCWALYQFLKIOON-IPYPFGDCSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000316940234 396799513 /nfs/dbraw/zinc/79/95/13/396799513.db2.gz GCWALYQFLKIOON-IPYPFGDCSA-N 1 3 310.442 0.029 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCNCC1 ZINC000331539254 396872725 /nfs/dbraw/zinc/87/27/25/396872725.db2.gz QEGQJSIIIQQNHO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCNCC1 ZINC000331539254 396872727 /nfs/dbraw/zinc/87/27/27/396872727.db2.gz QEGQJSIIIQQNHO-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000331876275 396876035 /nfs/dbraw/zinc/87/60/35/396876035.db2.gz BTUXNZQSQYKGTE-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000331876275 396876037 /nfs/dbraw/zinc/87/60/37/396876037.db2.gz BTUXNZQSQYKGTE-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000611636701 396898690 /nfs/dbraw/zinc/89/86/90/396898690.db2.gz DTBIJADQCDSJSZ-MELADBBJSA-N 1 3 322.453 0.328 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000611636701 396898698 /nfs/dbraw/zinc/89/86/98/396898698.db2.gz DTBIJADQCDSJSZ-MELADBBJSA-N 1 3 322.453 0.328 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2COC[C@@H]2C1)c1ccccc1 ZINC000634779942 396916476 /nfs/dbraw/zinc/91/64/76/396916476.db2.gz MANNAPUKQLNFGB-IXDOHACOSA-N 1 3 317.433 0.984 20 0 DCADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000570943670 396940061 /nfs/dbraw/zinc/94/00/61/396940061.db2.gz FVTAUISCASNFGE-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000376696233 396965706 /nfs/dbraw/zinc/96/57/06/396965706.db2.gz VLPWGKAXRMQMCC-ZFWWWQNUSA-N 1 3 300.422 0.078 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000571866971 396994570 /nfs/dbraw/zinc/99/45/70/396994570.db2.gz YORABOYWWFGECW-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[NH+](CCNC(=O)NC1CCN(CCO)CC1)C(C)C ZINC000601209690 397022355 /nfs/dbraw/zinc/02/23/55/397022355.db2.gz ICKLOQGYWFWYSF-UHFFFAOYSA-N 1 3 314.474 0.861 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000573219750 397146144 /nfs/dbraw/zinc/14/61/44/397146144.db2.gz MBEHTROSTCXFDR-CQSZACIVSA-N 1 3 307.442 0.999 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000573219749 397146525 /nfs/dbraw/zinc/14/65/25/397146525.db2.gz MBEHTROSTCXFDR-AWEZNQCLSA-N 1 3 307.442 0.999 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612885889 397155707 /nfs/dbraw/zinc/15/57/07/397155707.db2.gz JRUZPXNJSLFACO-ZBFHGGJFSA-N 1 3 311.474 0.311 20 0 DCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)NC1CCN([C@H]2CCOC2)CC1 ZINC000612994973 397175703 /nfs/dbraw/zinc/17/57/03/397175703.db2.gz KBSZRCGQBMDFKU-LSDHHAIUSA-N 1 3 322.453 0.681 20 0 DCADHO CC[C@@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000592488284 397190410 /nfs/dbraw/zinc/19/04/10/397190410.db2.gz JDKJDTDWLBZJFF-ZJUUUORDSA-N 1 3 324.347 0.824 20 0 DCADHO CCCNC(=O)NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492917 397192508 /nfs/dbraw/zinc/19/25/08/397192508.db2.gz HPHYEJBSTDVTTC-KGLIPLIRSA-N 1 3 310.442 0.934 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000573686850 397196359 /nfs/dbraw/zinc/19/63/59/397196359.db2.gz WKLZHSYDFQRNKE-CHWSQXEVSA-N 1 3 306.414 0.102 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592565127 397217372 /nfs/dbraw/zinc/21/73/72/397217372.db2.gz SLDHBFKIJFYUES-LBPRGKRZSA-N 1 3 305.426 0.885 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000626856856 397265691 /nfs/dbraw/zinc/26/56/91/397265691.db2.gz VAOVBMFBYZQMSV-CQSZACIVSA-N 1 3 302.378 0.439 20 0 DCADHO CC1CCN(CC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000620483193 397279148 /nfs/dbraw/zinc/27/91/48/397279148.db2.gz ZZEYSFCMHWLPFV-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO CC1CCN(CC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000620483193 397279151 /nfs/dbraw/zinc/27/91/51/397279151.db2.gz ZZEYSFCMHWLPFV-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO O[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)Cn1cccn1 ZINC000574567227 397279497 /nfs/dbraw/zinc/27/94/97/397279497.db2.gz YAIGNUSKUSCWHX-ZACQAIPSSA-N 1 3 322.453 0.602 20 0 DCADHO CN(C)[C@H](CNC(=O)N(C)CCOCC[NH3+])c1ccccc1 ZINC000626919640 397287552 /nfs/dbraw/zinc/28/75/52/397287552.db2.gz IXXQBODBPIHCBY-OAHLLOKOSA-N 1 3 308.426 0.906 20 0 DCADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[N@H+](C)CC)C12CCOCC2 ZINC000574769270 397298995 /nfs/dbraw/zinc/29/89/95/397298995.db2.gz VHZRVWYUYPEVMC-SOUVJXGZSA-N 1 3 300.443 0.863 20 0 DCADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[N@@H+](C)CC)C12CCOCC2 ZINC000574769270 397299002 /nfs/dbraw/zinc/29/90/02/397299002.db2.gz VHZRVWYUYPEVMC-SOUVJXGZSA-N 1 3 300.443 0.863 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000626853027 397262520 /nfs/dbraw/zinc/26/25/20/397262520.db2.gz IBUXNBHBQJSGEZ-UHFFFAOYSA-N 1 3 306.410 0.536 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000415169952 397368294 /nfs/dbraw/zinc/36/82/94/397368294.db2.gz WJIWBIAREWNBNP-UHFFFAOYSA-N 1 3 318.421 0.897 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH3+])CCO)N(C)C)cc1 ZINC000417317578 397373468 /nfs/dbraw/zinc/37/34/68/397373468.db2.gz WYQHZGSETSDHDZ-OAHLLOKOSA-N 1 3 308.426 0.560 20 0 DCADHO CO[C@H]1CCN(CCCN2CCN(C(C)C)CC2)[C@H](C[NH3+])C1 ZINC000578323983 397420672 /nfs/dbraw/zinc/42/06/72/397420672.db2.gz ASMXGZPVRBRRRS-IRXDYDNUSA-N 1 3 312.502 0.841 20 0 DCADHO CC1(C)CCCN(CCNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000578490212 397442241 /nfs/dbraw/zinc/44/22/41/397442241.db2.gz QDNNCLDDAAREAE-CQSZACIVSA-N 1 3 312.458 0.786 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653879 397409727 /nfs/dbraw/zinc/40/97/27/397409727.db2.gz JUMSBWLRSKUTLK-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)C/C=C\C(=O)N[C@@H](CNC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000491874998 397504581 /nfs/dbraw/zinc/50/45/81/397504581.db2.gz XKCVNXQCNZLFIM-DQARZCGCSA-N 1 3 322.453 0.233 20 0 DCADHO CN(C)C/C=C/C(=O)NC[C@H](NC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491874998 397504582 /nfs/dbraw/zinc/50/45/82/397504582.db2.gz XKCVNXQCNZLFIM-DQARZCGCSA-N 1 3 322.453 0.233 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000579341252 397552275 /nfs/dbraw/zinc/55/22/75/397552275.db2.gz DYFRQPAUGWUZCH-RRFJBIMHSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000579341252 397552278 /nfs/dbraw/zinc/55/22/78/397552278.db2.gz DYFRQPAUGWUZCH-RRFJBIMHSA-N 1 3 322.453 0.282 20 0 DCADHO COCCCN(CC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000178956033 292340557 /nfs/dbraw/zinc/34/05/57/292340557.db2.gz NLZGKAFBTGBHIH-AWEZNQCLSA-N 1 3 304.456 0.512 20 0 DCADHO CC(C)N1CC[C@H](N(C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000120249172 158194454 /nfs/dbraw/zinc/19/44/54/158194454.db2.gz ARTCNBRQFSLLFZ-INIZCTEOSA-N 1 3 310.486 0.954 20 0 DCADHO CN(C)CCNC(=O)[C@@H]1CCC[C@@H](C(=O)NCC[NH+](C)C)C1 ZINC000131242699 158301166 /nfs/dbraw/zinc/30/11/66/158301166.db2.gz GJKUDIFUUDRKFK-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000192741299 287059875 /nfs/dbraw/zinc/05/98/75/287059875.db2.gz BMUITZLQEOICTR-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000192741299 287059876 /nfs/dbraw/zinc/05/98/76/287059876.db2.gz BMUITZLQEOICTR-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418945747 287256129 /nfs/dbraw/zinc/25/61/29/287256129.db2.gz LVMRABXQDZUUGD-KBPBESRZSA-N 1 3 320.437 0.334 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])N(C)Cc1ccccc1 ZINC000418944529 287255581 /nfs/dbraw/zinc/25/55/81/287255581.db2.gz KFWDBDYRZWZQSU-KBPBESRZSA-N 1 3 320.437 0.429 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418954856 287257345 /nfs/dbraw/zinc/25/73/45/287257345.db2.gz XQJYCDNTHACULR-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000418992123 287259128 /nfs/dbraw/zinc/25/91/28/287259128.db2.gz ZKWRUVDVIJGNRD-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000418992123 287259130 /nfs/dbraw/zinc/25/91/30/287259130.db2.gz ZKWRUVDVIJGNRD-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C[C@@H]1[NH3+] ZINC000418995933 287260433 /nfs/dbraw/zinc/26/04/33/287260433.db2.gz NBVUGHQUFLYZQJ-WFASDCNBSA-N 1 3 318.421 0.170 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418997085 287260916 /nfs/dbraw/zinc/26/09/16/287260916.db2.gz KQXRCNMZAGKDGX-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419024473 287263279 /nfs/dbraw/zinc/26/32/79/287263279.db2.gz KWPXUKMUUWSDHT-XGUBFFRZSA-N 1 3 324.469 0.276 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCC1 ZINC000419243636 287277416 /nfs/dbraw/zinc/27/74/16/287277416.db2.gz SPHPGUGJADXQMI-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420300737 287287184 /nfs/dbraw/zinc/28/71/84/287287184.db2.gz VDLWBYPKRKXDPM-HOCLYGCPSA-N 1 3 304.438 0.699 20 0 DCADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)CN1 ZINC000331595732 415146149 /nfs/dbraw/zinc/14/61/49/415146149.db2.gz ZAKFOLPGDWHPJF-QLFBSQMISA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)CN1 ZINC000331595732 415146153 /nfs/dbraw/zinc/14/61/53/415146153.db2.gz ZAKFOLPGDWHPJF-QLFBSQMISA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000422884799 287301194 /nfs/dbraw/zinc/30/11/94/287301194.db2.gz XNCYVNDWWJFTOD-OAGGEKHMSA-N 1 3 310.486 0.907 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000342688503 415253953 /nfs/dbraw/zinc/25/39/53/415253953.db2.gz BHULRNBWEPIBLH-UONOGXRCSA-N 1 3 311.426 0.648 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000342688503 415253960 /nfs/dbraw/zinc/25/39/60/415253960.db2.gz BHULRNBWEPIBLH-UONOGXRCSA-N 1 3 311.426 0.648 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000332151235 415269681 /nfs/dbraw/zinc/26/96/81/415269681.db2.gz NBXYREQUPIKIEY-SOUVJXGZSA-N 1 3 322.453 0.138 20 0 DCADHO C[NH+](C)C/C=C/C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000273086278 415313453 /nfs/dbraw/zinc/31/34/53/415313453.db2.gz INXBMPKPYZSAJY-JZLODUJNSA-N 1 3 317.433 0.987 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC1 ZINC000332578841 415414733 /nfs/dbraw/zinc/41/47/33/415414733.db2.gz ALZVQKFSKSTMCW-VNHYZAJKSA-N 1 3 322.453 0.267 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000332568332 415415155 /nfs/dbraw/zinc/41/51/55/415415155.db2.gz VGRNNKJQPFSMOP-KBUPBQIOSA-N 1 3 322.453 0.458 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000332568334 415417201 /nfs/dbraw/zinc/41/72/01/415417201.db2.gz VGRNNKJQPFSMOP-LXTVHRRPSA-N 1 3 322.453 0.458 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000332387511 415375528 /nfs/dbraw/zinc/37/55/28/415375528.db2.gz WDYGQNUVMLNJQL-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)N2CCCC2)cc1 ZINC000277375528 415484063 /nfs/dbraw/zinc/48/40/63/415484063.db2.gz CLQQVXQZFHCSQJ-GVDBMIGSSA-N 1 3 317.433 0.971 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085401988 415506605 /nfs/dbraw/zinc/50/66/05/415506605.db2.gz WOCIMIHDYCACAO-KBPBESRZSA-N 1 3 300.447 0.546 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085401988 415506609 /nfs/dbraw/zinc/50/66/09/415506609.db2.gz WOCIMIHDYCACAO-KBPBESRZSA-N 1 3 300.447 0.546 20 0 DCADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@@H](CN)OC)cc1 ZINC000353449175 415545622 /nfs/dbraw/zinc/54/56/22/415545622.db2.gz NPADCZKAFWVSBE-RRFJBIMHSA-N 1 3 307.394 0.231 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000353454658 415548831 /nfs/dbraw/zinc/54/88/31/415548831.db2.gz VGEOOJDRTWFUCC-LERXQTSPSA-N 1 3 313.348 0.500 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000353451992 415550047 /nfs/dbraw/zinc/55/00/47/415550047.db2.gz VVPLOZXKMLENLR-HNNXBMFYSA-N 1 3 313.490 0.606 20 0 DCADHO C[C@H]1C[C@H](CN2CCN(c3cncc4ncnn43)CC2)CC[NH2+]1 ZINC000333124816 415562452 /nfs/dbraw/zinc/56/24/52/415562452.db2.gz HAPNTCJIHUNYAG-UONOGXRCSA-N 1 3 315.425 0.634 20 0 DCADHO C[C@@H]1C[C@H](CN2CCN(c3cncc4ncnn43)CC2)CC[NH2+]1 ZINC000333124818 415563728 /nfs/dbraw/zinc/56/37/28/415563728.db2.gz HAPNTCJIHUNYAG-ZIAGYGMSSA-N 1 3 315.425 0.634 20 0 DCADHO NC1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000353726315 415638297 /nfs/dbraw/zinc/63/82/97/415638297.db2.gz DSBXKHOVCVJAPK-UHFFFAOYSA-N 1 3 318.421 0.922 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343383600 415582289 /nfs/dbraw/zinc/58/22/89/415582289.db2.gz MZZVVMWGTNGYAY-JKSUJKDBSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343383600 415582292 /nfs/dbraw/zinc/58/22/92/415582292.db2.gz MZZVVMWGTNGYAY-JKSUJKDBSA-N 1 3 308.470 0.613 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000343715573 415696087 /nfs/dbraw/zinc/69/60/87/415696087.db2.gz NYEHTUXTXNHTMR-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C[C@H]2N)cn1 ZINC000333613259 415696637 /nfs/dbraw/zinc/69/66/37/415696637.db2.gz SIHGPGFVUGONBC-SPWCGHHHSA-N 1 3 320.441 0.374 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000333817333 415746287 /nfs/dbraw/zinc/74/62/87/415746287.db2.gz KHNDQCVAIJEQPU-KFWWJZLASA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333853367 415752730 /nfs/dbraw/zinc/75/27/30/415752730.db2.gz XTGVKWJNTZVIRD-ZNMIVQPWSA-N 1 3 324.469 0.737 20 0 DCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333853367 415752735 /nfs/dbraw/zinc/75/27/35/415752735.db2.gz XTGVKWJNTZVIRD-ZNMIVQPWSA-N 1 3 324.469 0.737 20 0 DCADHO CO[C@@H](CN)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000290069306 415755314 /nfs/dbraw/zinc/75/53/14/415755314.db2.gz IEZUCYFTIYRJAN-HNNXBMFYSA-N 1 3 309.410 0.607 20 0 DCADHO C[N@H+](C[C@H](O)CN1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000336864584 415845248 /nfs/dbraw/zinc/84/52/48/415845248.db2.gz HOUKCFLLLVBTCF-KRWDZBQOSA-N 1 3 311.470 0.486 20 0 DCADHO C[N@@H+](C[C@H](O)CN1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000336864584 415845257 /nfs/dbraw/zinc/84/52/57/415845257.db2.gz HOUKCFLLLVBTCF-KRWDZBQOSA-N 1 3 311.470 0.486 20 0 DCADHO CN(C[C@H](O)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336863056 415845717 /nfs/dbraw/zinc/84/57/17/415845717.db2.gz HQVZPUHNMOQCRZ-WBVHZDCISA-N 1 3 311.470 0.486 20 0 DCADHO CN(C[C@H](O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336863056 415845723 /nfs/dbraw/zinc/84/57/23/415845723.db2.gz HQVZPUHNMOQCRZ-WBVHZDCISA-N 1 3 311.470 0.486 20 0 DCADHO C[N@H+](C[C@H](O)CN1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336863056 415845725 /nfs/dbraw/zinc/84/57/25/415845725.db2.gz HQVZPUHNMOQCRZ-WBVHZDCISA-N 1 3 311.470 0.486 20 0 DCADHO C[N@@H+](C[C@H](O)CN1CCC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336863056 415845730 /nfs/dbraw/zinc/84/57/30/415845730.db2.gz HQVZPUHNMOQCRZ-WBVHZDCISA-N 1 3 311.470 0.486 20 0 DCADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](C[NH3+])OC)cc2)CC1 ZINC000290254731 415781562 /nfs/dbraw/zinc/78/15/62/415781562.db2.gz WULGCGSLXXYTSP-MRXNPFEDSA-N 1 3 320.437 0.736 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343977656 415808351 /nfs/dbraw/zinc/80/83/51/415808351.db2.gz JWXGPPJQVNMGKS-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343977656 415808356 /nfs/dbraw/zinc/80/83/56/415808356.db2.gz JWXGPPJQVNMGKS-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343992490 415809664 /nfs/dbraw/zinc/80/96/64/415809664.db2.gz URXHKGOJZYCAMN-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343992490 415809669 /nfs/dbraw/zinc/80/96/69/415809669.db2.gz URXHKGOJZYCAMN-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[NH+]1CCC(N[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000344267181 415878888 /nfs/dbraw/zinc/87/88/88/415878888.db2.gz VORMYUQDEGHTIX-GDBMZVCRSA-N 1 3 308.426 0.951 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000356221870 415886297 /nfs/dbraw/zinc/88/62/97/415886297.db2.gz INDOIUNOQCZSJN-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000356221870 415886302 /nfs/dbraw/zinc/88/63/02/415886302.db2.gz INDOIUNOQCZSJN-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO CNC(=O)[C@]1(C)CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000337482898 415967282 /nfs/dbraw/zinc/96/72/82/415967282.db2.gz XDORFMVMRCFYDP-QGZVFWFLSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)[C@]1(C)CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000337482898 415967284 /nfs/dbraw/zinc/96/72/84/415967284.db2.gz XDORFMVMRCFYDP-QGZVFWFLSA-N 1 3 310.486 0.861 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CCSC1 ZINC000337653180 415991225 /nfs/dbraw/zinc/99/12/25/415991225.db2.gz LPHPNUACLPYORW-KGLIPLIRSA-N 1 3 318.487 0.036 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000338151557 416050928 /nfs/dbraw/zinc/05/09/28/416050928.db2.gz SZZJQZMIMVGFPF-KBPBESRZSA-N 1 3 313.442 0.500 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000174350378 416077962 /nfs/dbraw/zinc/07/79/62/416077962.db2.gz JBRQDYWLMBAHPF-HUUCEWRRSA-N 1 3 311.474 0.263 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)CN1CCN(C)CC1 ZINC000174350378 416077964 /nfs/dbraw/zinc/07/79/64/416077964.db2.gz JBRQDYWLMBAHPF-HUUCEWRRSA-N 1 3 311.474 0.263 20 0 DCADHO CCN1CCC(NC(=O)CN2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000357089152 416033058 /nfs/dbraw/zinc/03/30/58/416033058.db2.gz YBRNLAILFLSVQK-MRXNPFEDSA-N 1 3 322.497 0.908 20 0 DCADHO CC(C)C[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338023494 416035062 /nfs/dbraw/zinc/03/50/62/416035062.db2.gz IBJOAHXCOONXJU-QWRGUYRKSA-N 1 3 310.364 0.312 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176098860 416120601 /nfs/dbraw/zinc/12/06/01/416120601.db2.gz KSHYDSMAJAXMLO-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000358101420 416192545 /nfs/dbraw/zinc/19/25/45/416192545.db2.gz UVPBEDMGNIOAKC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000358101420 416192548 /nfs/dbraw/zinc/19/25/48/416192548.db2.gz UVPBEDMGNIOAKC-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)C(C)(C)C[NH+](C)C ZINC000346344633 416194352 /nfs/dbraw/zinc/19/43/52/416194352.db2.gz UQQPQDXWHCAAJZ-CYBMUJFWSA-N 1 3 324.473 1.543 20 0 DCADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358257148 416217828 /nfs/dbraw/zinc/21/78/28/416217828.db2.gz UPKJDXMGNRDYQA-MAUKXSAKSA-N 1 3 319.449 0.780 20 0 DCADHO C[C@@H](CC(=O)NCCc1ccccc1)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358257148 416217832 /nfs/dbraw/zinc/21/78/32/416217832.db2.gz UPKJDXMGNRDYQA-MAUKXSAKSA-N 1 3 319.449 0.780 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358505625 416246604 /nfs/dbraw/zinc/24/66/04/416246604.db2.gz KUDBHGFZKQYMCD-UONOGXRCSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000341947467 416255842 /nfs/dbraw/zinc/25/58/42/416255842.db2.gz NFPBIAHSPKIKOP-XJKSGUPXSA-N 1 3 324.469 0.473 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000351659381 416281253 /nfs/dbraw/zinc/28/12/53/416281253.db2.gz BUEVOOPGTJOZSI-CABCVRRESA-N 1 3 313.490 0.652 20 0 DCADHO CN1CCN(CCCNC(=O)C2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000262146464 416336288 /nfs/dbraw/zinc/33/62/88/416336288.db2.gz QFBNECLMNQOZKZ-INIZCTEOSA-N 1 3 316.449 0.973 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415441449 416343587 /nfs/dbraw/zinc/34/35/87/416343587.db2.gz PGFSMMLTSGLLHF-AWEZNQCLSA-N 1 3 320.437 0.829 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419846141 416414470 /nfs/dbraw/zinc/41/44/70/416414470.db2.gz RGGYTPXARACYDG-CYBMUJFWSA-N 1 3 322.409 0.038 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419973881 416415628 /nfs/dbraw/zinc/41/56/28/416415628.db2.gz HKQLJQVRIRMEKM-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCC[C@H](C)C1 ZINC000420085395 416416923 /nfs/dbraw/zinc/41/69/23/416416923.db2.gz BFVCMLSNEQEIED-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418442294 416387175 /nfs/dbraw/zinc/38/71/75/416387175.db2.gz JRAJLSNBQIKVII-KGLIPLIRSA-N 1 3 300.447 0.650 20 0 DCADHO CCN1CCN(CCC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000360413713 416389139 /nfs/dbraw/zinc/38/91/39/416389139.db2.gz YQASEAQLTNHKQM-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCN(CCC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000360413713 416389140 /nfs/dbraw/zinc/38/91/40/416389140.db2.gz YQASEAQLTNHKQM-MRXNPFEDSA-N 1 3 310.486 0.814 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCN1CCCO ZINC000418711071 416389677 /nfs/dbraw/zinc/38/96/77/416389677.db2.gz VOGQKHVFKBILAT-ZIAGYGMSSA-N 1 3 300.447 0.650 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1CCCCC1 ZINC000418830541 416391125 /nfs/dbraw/zinc/39/11/25/416391125.db2.gz IDPMCUCPVAAIJZ-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418832324 416391605 /nfs/dbraw/zinc/39/16/05/416391605.db2.gz JYRREMLMUKPVIR-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](CN)C2CC2)CCCCCC1 ZINC000418907329 416393540 /nfs/dbraw/zinc/39/35/40/416393540.db2.gz XVFMWZXNHCOWQE-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000418958254 416394619 /nfs/dbraw/zinc/39/46/19/416394619.db2.gz GAMKTAYSPIYTCP-RDBSUJKOSA-N 1 3 324.469 0.480 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419289161 416399023 /nfs/dbraw/zinc/39/90/23/416399023.db2.gz SZJMZFYGMRNBSN-INIZCTEOSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000419624552 416404838 /nfs/dbraw/zinc/40/48/38/416404838.db2.gz KHSUKTGLPNXHKO-YDHLFZDLSA-N 1 3 322.453 0.481 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419757409 416408785 /nfs/dbraw/zinc/40/87/85/416408785.db2.gz CQWDUNCVIDTWTK-INIZCTEOSA-N 1 3 310.442 0.047 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419764484 416409390 /nfs/dbraw/zinc/40/93/90/416409390.db2.gz PLNHVYFJQSYURW-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419764486 416409426 /nfs/dbraw/zinc/40/94/26/416409426.db2.gz PLNHVYFJQSYURW-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419776299 416410683 /nfs/dbraw/zinc/41/06/83/416410683.db2.gz LPJPVNZWKLTBQG-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419777772 416410911 /nfs/dbraw/zinc/41/09/11/416410911.db2.gz NQLKYLJXZMIZGU-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423066599 416465238 /nfs/dbraw/zinc/46/52/38/416465238.db2.gz XKTKYRILTZFXPP-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN2CCCO)CC[N@@H+]1C ZINC000458446869 416471972 /nfs/dbraw/zinc/47/19/72/416471972.db2.gz RANSKNGAARGKMF-RBSFLKMASA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN2CCCO)CC[N@H+]1C ZINC000458446869 416471976 /nfs/dbraw/zinc/47/19/76/416471976.db2.gz RANSKNGAARGKMF-RBSFLKMASA-N 1 3 312.458 0.615 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000423256009 416483562 /nfs/dbraw/zinc/48/35/62/416483562.db2.gz BFQZUAXXYONBTQ-UONOGXRCSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)N(C)C1CC1 ZINC000422311382 416425245 /nfs/dbraw/zinc/42/52/45/416425245.db2.gz YDFUUQYDUXFYJL-HSBZDZAISA-N 1 3 324.469 0.574 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)CC1 ZINC000422638480 416443103 /nfs/dbraw/zinc/44/31/03/416443103.db2.gz QJABQGCASJJGOO-KFWWJZLASA-N 1 3 310.486 0.892 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458245765 416447474 /nfs/dbraw/zinc/44/74/74/416447474.db2.gz VISONAXKLJKCEO-GJZGRUSLSA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458245765 416447477 /nfs/dbraw/zinc/44/74/77/416447477.db2.gz VISONAXKLJKCEO-GJZGRUSLSA-N 1 3 314.474 0.863 20 0 DCADHO C[NH+](C)C1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000422971590 416454102 /nfs/dbraw/zinc/45/41/02/416454102.db2.gz JFODKQXAUDWUSJ-NRXISQOPSA-N 1 3 324.469 0.609 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423629240 416529981 /nfs/dbraw/zinc/52/99/81/416529981.db2.gz XEYCDTBSQMBGAO-CABCVRRESA-N 1 3 324.469 0.659 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423629240 416529983 /nfs/dbraw/zinc/52/99/83/416529983.db2.gz XEYCDTBSQMBGAO-CABCVRRESA-N 1 3 324.469 0.659 20 0 DCADHO CCC[C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000423629965 416531164 /nfs/dbraw/zinc/53/11/64/416531164.db2.gz KWLHTNKWHUYHDF-NWDGAFQWSA-N 1 3 324.391 0.669 20 0 DCADHO C[C@@H]1CN(CCCN2CCCC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536544178 416544833 /nfs/dbraw/zinc/54/48/33/416544833.db2.gz ZVEUYILGTUOWDZ-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)[C@@H]1C[NH3+] ZINC000423721860 416547560 /nfs/dbraw/zinc/54/75/60/416547560.db2.gz FNDLJLQEZPYQCY-MGPQQGTHSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)[C@@H]1CN ZINC000423728373 416551372 /nfs/dbraw/zinc/55/13/72/416551372.db2.gz JOAHBROGEWZQDZ-DZGCQCFKSA-N 1 3 324.469 0.372 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](N)CC ZINC000423735182 416552467 /nfs/dbraw/zinc/55/24/67/416552467.db2.gz AIXAQLDKOXCHJO-KBPBESRZSA-N 1 3 313.442 0.990 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](N)CC ZINC000423735182 416552471 /nfs/dbraw/zinc/55/24/71/416552471.db2.gz AIXAQLDKOXCHJO-KBPBESRZSA-N 1 3 313.442 0.990 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000537569698 416557203 /nfs/dbraw/zinc/55/72/03/416557203.db2.gz PYHXHQHEGOZYGF-CQSZACIVSA-N 1 3 311.426 0.329 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000537569698 416557206 /nfs/dbraw/zinc/55/72/06/416557206.db2.gz PYHXHQHEGOZYGF-CQSZACIVSA-N 1 3 311.426 0.329 20 0 DCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000534277935 416495272 /nfs/dbraw/zinc/49/52/72/416495272.db2.gz CTABHFQFBCDMGH-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H](CNC(=O)N1CCN(C)C[C@H]1CN)C[NH+]1CCCCC1 ZINC000584161736 416503549 /nfs/dbraw/zinc/50/35/49/416503549.db2.gz SPDZLBHHKCJQMR-HUUCEWRRSA-N 1 3 311.474 0.393 20 0 DCADHO O=C(C[C@H]1CSCCN1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000434872991 416503921 /nfs/dbraw/zinc/50/39/21/416503921.db2.gz GKYDGKKRXUXPMW-LBPRGKRZSA-N 1 3 321.450 0.525 20 0 DCADHO N[C@H]1Cc2ccccc2N(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424069772 416608611 /nfs/dbraw/zinc/60/86/11/416608611.db2.gz CEFGEIGKLOJGQH-UONOGXRCSA-N 1 3 316.405 0.161 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364266355 416582211 /nfs/dbraw/zinc/58/22/11/416582211.db2.gz IZJXPLLFGNXBNJ-CABCVRRESA-N 1 3 310.442 0.585 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364266355 416582214 /nfs/dbraw/zinc/58/22/14/416582214.db2.gz IZJXPLLFGNXBNJ-CABCVRRESA-N 1 3 310.442 0.585 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000424444407 416645086 /nfs/dbraw/zinc/64/50/86/416645086.db2.gz CQPYKVZUYCZYPM-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO Cn1c2cc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)ccc2oc1=O ZINC000631827022 416751820 /nfs/dbraw/zinc/75/18/20/416751820.db2.gz CTRAKUIBUSLNDL-CQSZACIVSA-N 1 3 316.405 0.611 20 0 DCADHO COCC[C@H](C)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631828427 416752688 /nfs/dbraw/zinc/75/26/88/416752688.db2.gz OUACKHUGOKCHGX-CFVMTHIKSA-N 1 3 310.442 0.632 20 0 DCADHO COCC[C@H](C)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631828429 416753410 /nfs/dbraw/zinc/75/34/10/416753410.db2.gz OUACKHUGOKCHGX-QEJZJMRPSA-N 1 3 310.442 0.632 20 0 DCADHO CN1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](CN)C1 ZINC000557137424 416725244 /nfs/dbraw/zinc/72/52/44/416725244.db2.gz MPLOPBZVGZOFLH-AWEZNQCLSA-N 1 3 311.474 0.535 20 0 DCADHO CN(C)[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000557137713 416725663 /nfs/dbraw/zinc/72/56/63/416725663.db2.gz DGAAWVRNSWIVEF-HOTGVXAUSA-N 1 3 319.453 0.574 20 0 DCADHO CN(C)CCCS(=O)(=O)NCc1ccc(C[NH3+])cc1F ZINC000631949045 416823446 /nfs/dbraw/zinc/82/34/46/416823446.db2.gz WNYCANAGAGTIJD-UHFFFAOYSA-N 1 3 303.403 0.656 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000631853042 416769188 /nfs/dbraw/zinc/76/91/88/416769188.db2.gz MRUTUTOCTUKYRG-IXDOHACOSA-N 1 3 316.449 0.842 20 0 DCADHO CCN(CC)[C@@H]1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631924425 416804146 /nfs/dbraw/zinc/80/41/46/416804146.db2.gz UYQFKURZIGKNCO-CQSZACIVSA-N 1 3 318.487 0.331 20 0 DCADHO CN(C)[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631936954 416814526 /nfs/dbraw/zinc/81/45/26/416814526.db2.gz PTLAFTRXUXUNDD-CQSZACIVSA-N 1 3 303.472 0.828 20 0 DCADHO C[C@@H]1C[C@@H](Nc2nc(N)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000624025066 416942555 /nfs/dbraw/zinc/94/25/55/416942555.db2.gz KQTXCHSFOVGICU-YPMHNXCESA-N 1 3 313.409 0.584 20 0 DCADHO C[C@@H]1C[C@@H](Nc2nc(N)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000624025066 416942561 /nfs/dbraw/zinc/94/25/61/416942561.db2.gz KQTXCHSFOVGICU-YPMHNXCESA-N 1 3 313.409 0.584 20 0 DCADHO O=C(NC[C@]1(O)CN2CCC1CC2)C1C[NH+](C2CCCCC2)C1 ZINC000565196009 416942685 /nfs/dbraw/zinc/94/26/85/416942685.db2.gz HUWKTLBNHGYDQT-SFHVURJKSA-N 1 3 321.465 0.824 20 0 DCADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C1 ZINC000373896549 416967144 /nfs/dbraw/zinc/96/71/44/416967144.db2.gz TVTHVHHEYBPCBW-GJZGRUSLSA-N 1 3 318.421 0.312 20 0 DCADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C1 ZINC000373896549 416967155 /nfs/dbraw/zinc/96/71/55/416967155.db2.gz TVTHVHHEYBPCBW-GJZGRUSLSA-N 1 3 318.421 0.312 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000521006885 416985159 /nfs/dbraw/zinc/98/51/59/416985159.db2.gz BZCWGVJXFGIIOY-KGLIPLIRSA-N 1 3 312.458 0.737 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4C[C@]4(O)C3)CC2)CC1 ZINC000641784169 416996381 /nfs/dbraw/zinc/99/63/81/416996381.db2.gz WTEAWWWXJFCNFU-GUYCJALGSA-N 1 3 322.453 0.321 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785694 417096553 /nfs/dbraw/zinc/09/65/53/417096553.db2.gz DMMAIWOMYMPTIU-UONOGXRCSA-N 1 3 310.442 0.077 20 0 DCADHO NC[C@@H]1CCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000430594746 417048184 /nfs/dbraw/zinc/04/81/84/417048184.db2.gz GXSXGIIISDECGF-AWEZNQCLSA-N 1 3 304.394 0.826 20 0 DCADHO NC[C@@H]1CCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000430594746 417048186 /nfs/dbraw/zinc/04/81/86/417048186.db2.gz GXSXGIIISDECGF-AWEZNQCLSA-N 1 3 304.394 0.826 20 0 DCADHO CNC(=O)c1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430613741 417050142 /nfs/dbraw/zinc/05/01/42/417050142.db2.gz WNXBONJQCDFHDY-OAHLLOKOSA-N 1 3 318.421 0.333 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642431220 417051282 /nfs/dbraw/zinc/05/12/82/417051282.db2.gz ZVDGCEXMDOTGCS-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000642439703 417052680 /nfs/dbraw/zinc/05/26/80/417052680.db2.gz NMMZNUZHTMOQFM-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](CC)CN1CCCC1 ZINC000642439346 417053264 /nfs/dbraw/zinc/05/32/64/417053264.db2.gz BUNMBNKLEJWNKQ-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000642439474 417053812 /nfs/dbraw/zinc/05/38/12/417053812.db2.gz IKWHPELBJDPECI-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000642440032 417055343 /nfs/dbraw/zinc/05/53/43/417055343.db2.gz WDCLOLKWBMBIEF-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000642439967 417055531 /nfs/dbraw/zinc/05/55/31/417055531.db2.gz UGSZXJPTFIKCMY-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ncc[nH]1 ZINC000637263071 417056162 /nfs/dbraw/zinc/05/61/62/417056162.db2.gz DOAWMQQSRNKXHJ-ZDUSSCGKSA-N 1 3 310.446 0.823 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ncc[nH]1 ZINC000637263071 417056167 /nfs/dbraw/zinc/05/61/67/417056167.db2.gz DOAWMQQSRNKXHJ-ZDUSSCGKSA-N 1 3 310.446 0.823 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCN1 ZINC000642718118 417080211 /nfs/dbraw/zinc/08/02/11/417080211.db2.gz IHYFTZHZPPHQAL-UMVBOHGHSA-N 1 3 322.453 0.184 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCN1 ZINC000642718118 417080218 /nfs/dbraw/zinc/08/02/18/417080218.db2.gz IHYFTZHZPPHQAL-UMVBOHGHSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)C1CC[NH+](C)CC1 ZINC000642724470 417081573 /nfs/dbraw/zinc/08/15/73/417081573.db2.gz QHWYDGYKKHPKGQ-SWLSCSKDSA-N 1 3 324.469 0.467 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000637374345 417083616 /nfs/dbraw/zinc/08/36/16/417083616.db2.gz WLHCEUPERRSICM-RDJZCZTQSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000637374345 417083623 /nfs/dbraw/zinc/08/36/23/417083623.db2.gz WLHCEUPERRSICM-RDJZCZTQSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000642732198 417085526 /nfs/dbraw/zinc/08/55/26/417085526.db2.gz XTSWCUJLEAMPOL-KFWWJZLASA-N 1 3 322.453 0.045 20 0 DCADHO O=C(CN1CC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381855798 417085889 /nfs/dbraw/zinc/08/58/89/417085889.db2.gz UWNGUBDMWGOMMJ-MRXNPFEDSA-N 1 3 302.422 0.282 20 0 DCADHO C[C@H]([NH3+])C1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000430942080 417089287 /nfs/dbraw/zinc/08/92/87/417089287.db2.gz KOHXSHICJHYJCQ-ZDUSSCGKSA-N 1 3 308.470 0.789 20 0 DCADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000430966152 417089642 /nfs/dbraw/zinc/08/96/42/417089642.db2.gz NQOUBJUGLATDNN-SGMGOOAPSA-N 1 3 310.442 0.158 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642773390 417094208 /nfs/dbraw/zinc/09/42/08/417094208.db2.gz VOJQMOKRFZOPBA-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642808211 417106200 /nfs/dbraw/zinc/10/62/00/417106200.db2.gz MABURRVODBVVKG-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000642911629 417122028 /nfs/dbraw/zinc/12/20/28/417122028.db2.gz KRFOVZHCVLBDHE-QLFBSQMISA-N 1 3 322.453 0.459 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642929556 417131058 /nfs/dbraw/zinc/13/10/58/417131058.db2.gz AQKQTCJTKUXRLX-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642954039 417133108 /nfs/dbraw/zinc/13/31/08/417133108.db2.gz KQRRYNPNBODBCG-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449310420 417138041 /nfs/dbraw/zinc/13/80/41/417138041.db2.gz GKWYVTXESGNMFU-STQMWFEESA-N 1 3 306.414 0.244 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410887524 417181286 /nfs/dbraw/zinc/18/12/86/417181286.db2.gz RCGIAXHLIBGZRI-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CCN(C)C2CCCC2)C[C@H](C)O1 ZINC000568857827 417182403 /nfs/dbraw/zinc/18/24/03/417182403.db2.gz RCYMBDLMUAWXJH-HLLBOEOZSA-N 1 3 313.486 0.921 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637804438 417188501 /nfs/dbraw/zinc/18/85/01/417188501.db2.gz OOLMSJJRCKKVNO-AXAPSJFSSA-N 1 3 307.394 0.578 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627235235 417293518 /nfs/dbraw/zinc/29/35/18/417293518.db2.gz QOZVQDGHRODDJU-KBPBESRZSA-N 1 3 321.429 0.048 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638047526 417294210 /nfs/dbraw/zinc/29/42/10/417294210.db2.gz OYPJYXSQSUMTNI-INIZCTEOSA-N 1 3 306.454 0.904 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000433136462 417231780 /nfs/dbraw/zinc/23/17/80/417231780.db2.gz LVEJVMQVQAHLLS-UHFFFAOYSA-N 1 3 308.470 0.744 20 0 DCADHO C[C@H](CN1CCOCC1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433163775 417238321 /nfs/dbraw/zinc/23/83/21/417238321.db2.gz PKEQTGMDWIEFDS-CQSZACIVSA-N 1 3 312.458 0.027 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC[C@@H]1[NH3+] ZINC000643542904 417240366 /nfs/dbraw/zinc/24/03/66/417240366.db2.gz XWCQMOWLUNRLQY-KBPBESRZSA-N 1 3 312.458 0.371 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000569335669 417240914 /nfs/dbraw/zinc/24/09/14/417240914.db2.gz DNFLGGTXWJESRM-GDBMZVCRSA-N 1 3 319.453 0.533 20 0 DCADHO CNCc1ccccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000569810725 417296098 /nfs/dbraw/zinc/29/60/98/417296098.db2.gz ANQPBICETKJLCP-AWEZNQCLSA-N 1 3 304.394 0.603 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)NCCN(C)C2CC2)CCCO1 ZINC000433336664 417251483 /nfs/dbraw/zinc/25/14/83/417251483.db2.gz AINLZGKIHVWASR-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)NCCN(C)C2CC2)CCCO1 ZINC000433336664 417251489 /nfs/dbraw/zinc/25/14/89/417251489.db2.gz AINLZGKIHVWASR-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433375494 417261185 /nfs/dbraw/zinc/26/11/85/417261185.db2.gz LMMDURKVCWUMJB-RDBSUJKOSA-N 1 3 318.425 0.511 20 0 DCADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000638157750 417360597 /nfs/dbraw/zinc/36/05/97/417360597.db2.gz ZEVWHRTZWUKAQX-RBOXIYTFSA-N 1 3 304.394 0.603 20 0 DCADHO C[C@@H]1CN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@@H]1[NH3+] ZINC000632961921 417301838 /nfs/dbraw/zinc/30/18/38/417301838.db2.gz WQOPGSWYOSZSIM-RISCZKNCSA-N 1 3 306.414 0.961 20 0 DCADHO CN1CCC(n2cc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cn2)CC1 ZINC000632960554 417303173 /nfs/dbraw/zinc/30/31/73/417303173.db2.gz IHAIIYDTPPVYQS-WDNDVIMCSA-N 1 3 304.398 0.489 20 0 DCADHO O=C(CN1CCNCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000638064079 417306089 /nfs/dbraw/zinc/30/60/89/417306089.db2.gz HWWQSKLJZMMSOO-UHFFFAOYSA-N 1 3 316.449 0.804 20 0 DCADHO CN(CCNC(=O)[C@@]1(C[NH3+])CCCOC1)Cc1ccccc1 ZINC000638079117 417313160 /nfs/dbraw/zinc/31/31/60/417313160.db2.gz APPMFOQMERNVJX-QGZVFWFLSA-N 1 3 305.422 0.990 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)CN2CC[NH2+]CC2)N(C)C)cc1 ZINC000638077199 417316201 /nfs/dbraw/zinc/31/62/01/417316201.db2.gz YXSCEIAPDADIQI-MRXNPFEDSA-N 1 3 304.438 0.619 20 0 DCADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000570146122 417319139 /nfs/dbraw/zinc/31/91/39/417319139.db2.gz DJCOXUBQERYHIP-UHFFFAOYSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C1=CCN(C)CC1 ZINC000621843721 417320209 /nfs/dbraw/zinc/32/02/09/417320209.db2.gz KLYJZFCZNYYRAZ-QEORTHHSSA-N 1 3 320.437 0.093 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)n1 ZINC000415207269 417340796 /nfs/dbraw/zinc/34/07/96/417340796.db2.gz CSUGHWHJRBXMAG-ZDUSSCGKSA-N 1 3 308.430 1.098 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000415220069 417344582 /nfs/dbraw/zinc/34/45/82/417344582.db2.gz UIAQZYXOMKGPLU-CHWSQXEVSA-N 1 3 308.430 1.084 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)c2ccccc2O1 ZINC000638130859 417345634 /nfs/dbraw/zinc/34/56/34/417345634.db2.gz JKTMMJZIZMNQTQ-AWEZNQCLSA-N 1 3 318.421 0.247 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000638232023 417387889 /nfs/dbraw/zinc/38/78/89/417387889.db2.gz RXFPYYCYKJMQKI-SQWLQELKSA-N 1 3 315.458 0.474 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000638341922 417427767 /nfs/dbraw/zinc/42/77/67/417427767.db2.gz DDELAGROYWZSBN-HOTGVXAUSA-N 1 3 320.437 0.022 20 0 DCADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000415323134 417364365 /nfs/dbraw/zinc/36/43/65/417364365.db2.gz GHIFXCPBZHVJOL-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000638209559 417377000 /nfs/dbraw/zinc/37/70/00/417377000.db2.gz DRDALDJFPJGXPD-FVQBIDKESA-N 1 3 304.438 0.702 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638208348 417377345 /nfs/dbraw/zinc/37/73/45/417377345.db2.gz TUTJLPSVNZPBKR-BPUTZDHNSA-N 1 3 304.438 0.702 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc2c1CCNC2 ZINC000570681443 417379792 /nfs/dbraw/zinc/37/97/92/417379792.db2.gz WESVLAPADUSXOR-HNNXBMFYSA-N 1 3 316.405 0.529 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528692009 417381955 /nfs/dbraw/zinc/38/19/55/417381955.db2.gz GPBBOTHOJUOVQH-LBPRGKRZSA-N 1 3 306.414 0.851 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CC[C@@H]1C(F)(F)F ZINC000638548323 417487199 /nfs/dbraw/zinc/48/71/99/417487199.db2.gz MWGARKSKALWPOC-UTUOFQBUSA-N 1 3 323.359 0.741 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529307145 417435694 /nfs/dbraw/zinc/43/56/94/417435694.db2.gz QKAGIGLXMYNYFQ-KGLIPLIRSA-N 1 3 310.442 0.681 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000638385083 417437536 /nfs/dbraw/zinc/43/75/36/417437536.db2.gz BSGHZSQIFOFFBT-HUUCEWRRSA-N 1 3 311.426 0.077 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000638395053 417441859 /nfs/dbraw/zinc/44/18/59/417441859.db2.gz PTPXFGJCCGRXCG-IXDOHACOSA-N 1 3 318.465 0.902 20 0 DCADHO C[C@H](CCNC(=O)[C@H](N)CN(C)Cc1ccccc1)[NH+](C)C ZINC000638407479 417445385 /nfs/dbraw/zinc/44/53/85/417445385.db2.gz AIIGYMUXPXDTFA-GDBMZVCRSA-N 1 3 306.454 0.902 20 0 DCADHO CC[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000638406259 417447632 /nfs/dbraw/zinc/44/76/32/417447632.db2.gz JWVILLOAPOEMSW-XJKSGUPXSA-N 1 3 305.422 0.867 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638429921 417453532 /nfs/dbraw/zinc/45/35/32/417453532.db2.gz JZROIMLWDABQSE-CVEARBPZSA-N 1 3 306.454 0.935 20 0 DCADHO CN(C[C@H](O)C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000575377318 417531919 /nfs/dbraw/zinc/53/19/19/417531919.db2.gz LDHLLSMHCMQGKO-IKGGRYGDSA-N 1 3 311.470 0.409 20 0 DCADHO O[C@H]1CCN(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634723598 417537364 /nfs/dbraw/zinc/53/73/64/417537364.db2.gz YKDTVXYNWUYEHC-ZWKOTPCHSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@H]1CCN(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634723598 417537371 /nfs/dbraw/zinc/53/73/71/417537371.db2.gz YKDTVXYNWUYEHC-ZWKOTPCHSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@H]1CCN(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634723598 417537376 /nfs/dbraw/zinc/53/73/76/417537376.db2.gz YKDTVXYNWUYEHC-ZWKOTPCHSA-N 1 3 319.449 0.280 20 0 DCADHO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000635009267 417555681 /nfs/dbraw/zinc/55/56/81/417555681.db2.gz XLIGUDJLBJFBRF-JTQLQIEISA-N 1 3 300.428 0.439 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CN(C)Cc2ccccc2)C[NH2+]1 ZINC000638643072 417522786 /nfs/dbraw/zinc/52/27/86/417522786.db2.gz ZLIIJASHXINJMM-KBMXLJTQSA-N 1 3 304.438 0.702 20 0 DCADHO CN1CCO[C@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634645171 417523869 /nfs/dbraw/zinc/52/38/69/417523869.db2.gz IKZWCLRRTREBGP-QZTJIDSGSA-N 1 3 319.449 0.544 20 0 DCADHO CN1CCO[C@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634645171 417523874 /nfs/dbraw/zinc/52/38/74/417523874.db2.gz IKZWCLRRTREBGP-QZTJIDSGSA-N 1 3 319.449 0.544 20 0 DCADHO [NH3+]CCCOCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000638661672 417528469 /nfs/dbraw/zinc/52/84/69/417528469.db2.gz VYIOCAZDMQCRCP-INIZCTEOSA-N 1 3 320.437 0.775 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H](N)CC[NH+](C)C)C2)cc1 ZINC000639001008 417602309 /nfs/dbraw/zinc/60/23/09/417602309.db2.gz FABXPSXYUQSXTI-DLBZAZTESA-N 1 3 318.465 0.965 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000639020437 417606443 /nfs/dbraw/zinc/60/64/43/417606443.db2.gz FRDXBKMCAGDFAF-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030360 417607970 /nfs/dbraw/zinc/60/79/70/417607970.db2.gz UHXKBLJUQLBCMS-BZUAXINKSA-N 1 3 304.438 0.832 20 0 DCADHO CC(C)OCC[C@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644562026 417620050 /nfs/dbraw/zinc/62/00/50/417620050.db2.gz OPMBMQQSEDMCCU-RDJZCZTQSA-N 1 3 313.486 0.921 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000296586353 226021667 /nfs/dbraw/zinc/02/16/67/226021667.db2.gz XGHVLKYGWZHLQX-DYVFJYSZSA-N 1 3 315.421 0.819 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000576626910 417622662 /nfs/dbraw/zinc/62/26/62/417622662.db2.gz SJUDWZYARLJYBX-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000576715335 417631696 /nfs/dbraw/zinc/63/16/96/417631696.db2.gz KJZIBVMMKWJKNP-ZFWWWQNUSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000576715335 417631699 /nfs/dbraw/zinc/63/16/99/417631699.db2.gz KJZIBVMMKWJKNP-ZFWWWQNUSA-N 1 3 305.426 0.801 20 0 DCADHO O=C(CN[C@H]1CCCNC(=O)C1)NCC[NH+]1CCCCCC1 ZINC000639206640 417638906 /nfs/dbraw/zinc/63/89/06/417638906.db2.gz UJAZTGAEEDQBKU-AWEZNQCLSA-N 1 3 310.442 0.237 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCCCC[N@H+](C)C2CC2)CC1=O ZINC000457213366 417696780 /nfs/dbraw/zinc/69/67/80/417696780.db2.gz YQDUZEFFEZATCK-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCCCC[N@@H+](C)C2CC2)CC1=O ZINC000457213366 417696784 /nfs/dbraw/zinc/69/67/84/417696784.db2.gz YQDUZEFFEZATCK-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000577229172 417676198 /nfs/dbraw/zinc/67/61/98/417676198.db2.gz CPZSHGDSIBUASK-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000577229172 417676203 /nfs/dbraw/zinc/67/62/03/417676203.db2.gz CPZSHGDSIBUASK-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000635749640 417754435 /nfs/dbraw/zinc/75/44/35/417754435.db2.gz MMDDRWGQUXELAX-HZPDHXFCSA-N 1 3 322.497 0.813 20 0 DCADHO CN(C)CC[N@H+](C)CCCN(C)[C@@H]1CCN(C2CCC2)C1=O ZINC000639644731 417707955 /nfs/dbraw/zinc/70/79/55/417707955.db2.gz ACBIOYRZTWTIIG-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CN(C)CC[N@@H+](C)CCCN(C)[C@@H]1CCN(C2CCC2)C1=O ZINC000639644731 417707960 /nfs/dbraw/zinc/70/79/60/417707960.db2.gz ACBIOYRZTWTIIG-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CN(CCCN(C)[C@@H]1CCN(C2CCC2)C1=O)CC[NH+](C)C ZINC000639644731 417707963 /nfs/dbraw/zinc/70/79/63/417707963.db2.gz ACBIOYRZTWTIIG-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO Cc1cc(NC(=O)CCN2C[C@H](C[NH3+])C3(C2)CCOCC3)no1 ZINC000581370653 417727440 /nfs/dbraw/zinc/72/74/40/417727440.db2.gz RNVYPDQCBTUUSY-ZDUSSCGKSA-N 1 3 322.409 0.999 20 0 DCADHO Cc1c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662619566 417822943 /nfs/dbraw/zinc/82/29/43/417822943.db2.gz MMZIWLNYZONOLB-STQMWFEESA-N 1 3 320.441 0.724 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)C12CCC[NH+](CCC1)C2 ZINC000635974686 417823878 /nfs/dbraw/zinc/82/38/78/417823878.db2.gz GILQBGGYLYIYMS-HNNXBMFYSA-N 1 3 309.454 0.825 20 0 DCADHO Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nnn1[C@@H]1CC[NH2+]C1 ZINC000662514580 417790622 /nfs/dbraw/zinc/79/06/22/417790622.db2.gz PAZTZFRVNVAMLQ-BFHYXJOUSA-N 1 3 318.425 0.287 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662537989 417798170 /nfs/dbraw/zinc/79/81/70/417798170.db2.gz KIMNAIZCWWSDFR-UHFFFAOYSA-N 1 3 306.414 0.369 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645855792 417809544 /nfs/dbraw/zinc/80/95/44/417809544.db2.gz USWARNJHASZJRC-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCN1CCCCC1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662585680 417813103 /nfs/dbraw/zinc/81/31/03/417813103.db2.gz ZZYFBOZSTDBNGJ-UHFFFAOYSA-N 1 3 320.441 0.761 20 0 DCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)COCC[NH3+])CC1 ZINC000646262475 417822504 /nfs/dbraw/zinc/82/25/04/417822504.db2.gz ZXIOBNPFHWYFBT-ZDUSSCGKSA-N 1 3 306.410 0.699 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000662675084 417847072 /nfs/dbraw/zinc/84/70/72/417847072.db2.gz JDPUYFGYSONHAQ-CVEARBPZSA-N 1 3 321.421 0.607 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646012552 417848225 /nfs/dbraw/zinc/84/82/25/417848225.db2.gz RTKBGYKBYZDPQA-KBPBESRZSA-N 1 3 320.441 0.634 20 0 DCADHO CCO[C@@H]1CN(C(=O)NC2CCN(C3CC3)CC2)C[C@H]1C[NH3+] ZINC000652123215 417849920 /nfs/dbraw/zinc/84/99/20/417849920.db2.gz CYMDCLCJZGSTJS-IUODEOHRSA-N 1 3 310.442 0.618 20 0 DCADHO CN(C)CCn1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000631321933 417853205 /nfs/dbraw/zinc/85/32/05/417853205.db2.gz NJILMIIDJHKBEA-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO CN(C)CCn1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000631321933 417853213 /nfs/dbraw/zinc/85/32/13/417853213.db2.gz NJILMIIDJHKBEA-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662694456 417855489 /nfs/dbraw/zinc/85/54/89/417855489.db2.gz QNWKJUYUPLHNLX-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)CCOCCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652181652 417856511 /nfs/dbraw/zinc/85/65/11/417856511.db2.gz JTRUMGMYLVTJIK-UHFFFAOYSA-N 1 3 312.389 0.662 20 0 DCADHO [NH3+]CC1(CCNC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000652240920 417870490 /nfs/dbraw/zinc/87/04/90/417870490.db2.gz QIFNOYNUFQPXQC-UHFFFAOYSA-N 1 3 324.469 0.869 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348612 417887218 /nfs/dbraw/zinc/88/72/18/417887218.db2.gz KKCXDOYDOBLITC-MELADBBJSA-N 1 3 319.471 0.144 20 0 DCADHO CN(C)C(=O)[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC000652341093 417887634 /nfs/dbraw/zinc/88/76/34/417887634.db2.gz AWOIFPQXDMGNSK-MRXNPFEDSA-N 1 3 302.422 0.194 20 0 DCADHO C[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@H](C)CN1 ZINC000662764809 417897533 /nfs/dbraw/zinc/89/75/33/417897533.db2.gz OYSMMYOQDIOYAR-JHJVBQTASA-N 1 3 306.414 0.415 20 0 DCADHO CCC[N@@H+]1CC[C@H](NCc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000657742596 417900206 /nfs/dbraw/zinc/90/02/06/417900206.db2.gz WFXIMLRXRMGDIY-INIZCTEOSA-N 1 3 318.469 0.802 20 0 DCADHO CCC[N@H+]1CC[C@H](NCc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000657742596 417900211 /nfs/dbraw/zinc/90/02/11/417900211.db2.gz WFXIMLRXRMGDIY-INIZCTEOSA-N 1 3 318.469 0.802 20 0 DCADHO CCCN1CC[C@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000657742596 417900216 /nfs/dbraw/zinc/90/02/16/417900216.db2.gz WFXIMLRXRMGDIY-INIZCTEOSA-N 1 3 318.469 0.802 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000652429547 417906217 /nfs/dbraw/zinc/90/62/17/417906217.db2.gz YWHVWGMWCJOVGO-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000662665154 417840727 /nfs/dbraw/zinc/84/07/27/417840727.db2.gz IJWPOBAJLGDSJM-PMPSAXMXSA-N 1 3 303.406 0.741 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000662675085 417845076 /nfs/dbraw/zinc/84/50/76/417845076.db2.gz JDPUYFGYSONHAQ-HOTGVXAUSA-N 1 3 321.421 0.607 20 0 DCADHO C[NH2+]CCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019240 417978104 /nfs/dbraw/zinc/97/81/04/417978104.db2.gz SQPPIJQZFMEIOT-CYBMUJFWSA-N 1 3 320.441 0.135 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CNCCC1(F)F ZINC000662857315 417928813 /nfs/dbraw/zinc/92/88/13/417928813.db2.gz LCTAIXIMAYZFGA-LBPRGKRZSA-N 1 3 306.401 0.231 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CCO1 ZINC000646843129 417929560 /nfs/dbraw/zinc/92/95/60/417929560.db2.gz HDFBJCBCZDMNCW-AYZOYYRMSA-N 1 3 311.426 0.094 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCCC2CC[NH2+]CC2)CCC1 ZINC000652679695 417942854 /nfs/dbraw/zinc/94/28/54/417942854.db2.gz LKNVUJALMMEKGB-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C(=O)[C@@H](N)CC(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901348 417944565 /nfs/dbraw/zinc/94/45/65/417944565.db2.gz VSCHHIWGWUHDRD-OLZOCXBDSA-N 1 3 318.412 0.596 20 0 DCADHO CN(C(=O)[C@@H](N)CC(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901348 417944569 /nfs/dbraw/zinc/94/45/69/417944569.db2.gz VSCHHIWGWUHDRD-OLZOCXBDSA-N 1 3 318.412 0.596 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725111 417956431 /nfs/dbraw/zinc/95/64/31/417956431.db2.gz XTDRCWLSTRAQRH-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732586 417959444 /nfs/dbraw/zinc/95/94/44/417959444.db2.gz OKIBWAORRIARDK-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000662974007 417968991 /nfs/dbraw/zinc/96/89/91/417968991.db2.gz YKFCSEMAXPDOMW-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000647001774 417969437 /nfs/dbraw/zinc/96/94/37/417969437.db2.gz XUFKGNVUAQYYTG-NSHDSACASA-N 1 3 304.354 0.233 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H](NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000647549079 418021119 /nfs/dbraw/zinc/02/11/19/418021119.db2.gz HPHHNKSPSYQRDS-WCQYABFASA-N 1 3 301.456 0.531 20 0 DCADHO O=C(N1CCOC2(CNC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000663491139 418026112 /nfs/dbraw/zinc/02/61/12/418026112.db2.gz GGGRGUGXBKQSSE-KRWDZBQOSA-N 1 3 301.390 0.119 20 0 DCADHO C[C@@H](CCNC(=O)NC1CCN(CCN(C)C)CC1)[NH+](C)C ZINC000663578542 418034557 /nfs/dbraw/zinc/03/45/57/418034557.db2.gz FJGGVCUVWUWJOA-AWEZNQCLSA-N 1 3 313.490 0.652 20 0 DCADHO COC1(C(=O)NCCCNCc2cccnc2)CC[NH2+]CC1 ZINC000647644421 418037106 /nfs/dbraw/zinc/03/71/06/418037106.db2.gz RPNPXNZFKZNFBR-UHFFFAOYSA-N 1 3 306.410 0.446 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)C2)nn1 ZINC000653163697 418040296 /nfs/dbraw/zinc/04/02/96/418040296.db2.gz OQGHBWFEPKXECL-KFWWJZLASA-N 1 3 318.425 0.431 20 0 DCADHO CC1(OCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CNC1 ZINC000653260662 418049913 /nfs/dbraw/zinc/04/99/13/418049913.db2.gz JJJQMWYEZVLWPV-MCIONIFRSA-N 1 3 311.426 0.252 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659509181 418108173 /nfs/dbraw/zinc/10/81/73/418108173.db2.gz XUTFDVYINYWRSK-GJZGRUSLSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)N[C@H]1CC[NH2+]C1 ZINC000659515957 418109316 /nfs/dbraw/zinc/10/93/16/418109316.db2.gz MSMVAVUDYDLXHM-JKSUJKDBSA-N 1 3 318.421 0.414 20 0 DCADHO [NH3+]C1CCC(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000659519657 418110097 /nfs/dbraw/zinc/11/00/97/418110097.db2.gz USIDSUVZLGDEOQ-PIMMBPRGSA-N 1 3 310.442 0.809 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000659518567 418110178 /nfs/dbraw/zinc/11/01/78/418110178.db2.gz YFXMGJCFWIAYJS-GFCCVEGCSA-N 1 3 322.413 0.348 20 0 DCADHO CC1(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CNC1 ZINC000648168017 418111134 /nfs/dbraw/zinc/11/11/34/418111134.db2.gz NEEPIMRKMOZNRX-DZGCQCFKSA-N 1 3 307.438 0.840 20 0 DCADHO CC1(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CNC1 ZINC000648168017 418111136 /nfs/dbraw/zinc/11/11/36/418111136.db2.gz NEEPIMRKMOZNRX-DZGCQCFKSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@]1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659528270 418111994 /nfs/dbraw/zinc/11/19/94/418111994.db2.gz DAULVKWIJNEAPX-WBVHZDCISA-N 1 3 324.469 0.929 20 0 DCADHO COCCNCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659526316 418112045 /nfs/dbraw/zinc/11/20/45/418112045.db2.gz ATFUFOCVWOLCCD-HNNXBMFYSA-N 1 3 312.458 0.644 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659546288 418115976 /nfs/dbraw/zinc/11/59/76/418115976.db2.gz AVYJUKRUCOQOLY-ZDUSSCGKSA-N 1 3 315.462 0.165 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)C(N)=O ZINC000663727657 418051176 /nfs/dbraw/zinc/05/11/76/418051176.db2.gz SEKWLOVSTZHBEQ-LBPRGKRZSA-N 1 3 315.462 0.069 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)C(N)=O ZINC000663727657 418051178 /nfs/dbraw/zinc/05/11/78/418051178.db2.gz SEKWLOVSTZHBEQ-LBPRGKRZSA-N 1 3 315.462 0.069 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659552328 418117805 /nfs/dbraw/zinc/11/78/05/418117805.db2.gz YMQZYLMBINOWCG-CVEARBPZSA-N 1 3 320.437 0.790 20 0 DCADHO CC1CCN(C(=O)C2CCN(CCN3CC[NH2+]CC3)CC2)CC1 ZINC000647880913 418069326 /nfs/dbraw/zinc/06/93/26/418069326.db2.gz BUUZOVZGSPZWHD-UHFFFAOYSA-N 1 3 322.497 0.862 20 0 DCADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3CNCCO3)cc21 ZINC000659323578 418082050 /nfs/dbraw/zinc/08/20/50/418082050.db2.gz XLYLNVXUQSEVMA-LSDHHAIUSA-N 1 3 303.406 0.783 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000659357769 418084797 /nfs/dbraw/zinc/08/47/97/418084797.db2.gz MGLJSBJJNIAKBD-HNNXBMFYSA-N 1 3 320.437 0.555 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)CCN1C ZINC000664219892 418099440 /nfs/dbraw/zinc/09/94/40/418099440.db2.gz USBXXKYMIGGBPX-GJZGRUSLSA-N 1 3 313.490 0.652 20 0 DCADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493197 418105017 /nfs/dbraw/zinc/10/50/17/418105017.db2.gz CERFHMSLTSUCJU-LLVKDONJSA-N 1 3 324.429 0.561 20 0 DCADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493197 418105019 /nfs/dbraw/zinc/10/50/19/418105019.db2.gz CERFHMSLTSUCJU-LLVKDONJSA-N 1 3 324.429 0.561 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000659608340 418125312 /nfs/dbraw/zinc/12/53/12/418125312.db2.gz NBQAVFOXRPLTDP-BMFZPTHFSA-N 1 3 322.453 0.633 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659615889 418128337 /nfs/dbraw/zinc/12/83/37/418128337.db2.gz BEWMSWOFHQORAJ-ISXOHVOVSA-N 1 3 321.469 0.160 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654421304 418143322 /nfs/dbraw/zinc/14/33/22/418143322.db2.gz AMAWINGUSSWNST-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654421304 418143326 /nfs/dbraw/zinc/14/33/26/418143326.db2.gz AMAWINGUSSWNST-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659680689 418143965 /nfs/dbraw/zinc/14/39/65/418143965.db2.gz JLYKJTKAXXAEID-WIJYIZELSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000654452246 418147100 /nfs/dbraw/zinc/14/71/00/418147100.db2.gz OQBIJWFNJKKMHU-AEGPPILISA-N 1 3 310.442 0.177 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000659697923 418151838 /nfs/dbraw/zinc/15/18/38/418151838.db2.gz LGPILZFXSABWCV-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659699350 418151959 /nfs/dbraw/zinc/15/19/59/418151959.db2.gz ODZCQVHKWAMPGW-QWHCGFSZSA-N 1 3 300.447 0.323 20 0 DCADHO C[NH+](C)CC1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654502822 418153395 /nfs/dbraw/zinc/15/33/95/418153395.db2.gz QLWPTHOGOXAGIA-SSHXOBKSSA-N 1 3 324.469 0.567 20 0 DCADHO C[C@H](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)[NH+](C)C ZINC000664814829 418154311 /nfs/dbraw/zinc/15/43/11/418154311.db2.gz JQGPZTCELWUCJP-CQSZACIVSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1(O)CCC1 ZINC000664853396 418156780 /nfs/dbraw/zinc/15/67/80/418156780.db2.gz DEZMURFZOIAWCZ-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1(O)CCC1 ZINC000664853396 418156782 /nfs/dbraw/zinc/15/67/82/418156782.db2.gz DEZMURFZOIAWCZ-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000659719724 418161983 /nfs/dbraw/zinc/16/19/83/418161983.db2.gz LEZDZZYAQPZHKC-ZIAGYGMSSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659721818 418162705 /nfs/dbraw/zinc/16/27/05/418162705.db2.gz IRGXBMZDFGTKCQ-FRRDWIJNSA-N 1 3 310.442 0.090 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659737787 418170972 /nfs/dbraw/zinc/17/09/72/418170972.db2.gz VPJXJAUHELELEY-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CCC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)COC1 ZINC000665049270 418172044 /nfs/dbraw/zinc/17/20/44/418172044.db2.gz FPMIGPICIHYPTG-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO CCC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)COC1 ZINC000665049270 418172046 /nfs/dbraw/zinc/17/20/46/418172046.db2.gz FPMIGPICIHYPTG-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000659740669 418172252 /nfs/dbraw/zinc/17/22/52/418172252.db2.gz DQYMOAHKEYKINM-BFHYXJOUSA-N 1 3 312.458 0.417 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000659740674 418172498 /nfs/dbraw/zinc/17/24/98/418172498.db2.gz DQYMOAHKEYKINM-MGPQQGTHSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659741466 418173206 /nfs/dbraw/zinc/17/32/06/418173206.db2.gz MXYGEIUKGPWXRY-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000659746106 418174108 /nfs/dbraw/zinc/17/41/08/418174108.db2.gz HOEOFEOBAFTPCY-CYBMUJFWSA-N 1 3 300.447 0.275 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000649336536 418242412 /nfs/dbraw/zinc/24/24/12/418242412.db2.gz BSGLEUYVIMWGCW-FMKPAKJESA-N 1 3 309.454 0.992 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000649343647 418243751 /nfs/dbraw/zinc/24/37/51/418243751.db2.gz MIYDRXBOSZVUMJ-ZDUSSCGKSA-N 1 3 318.412 0.373 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000655271142 418246306 /nfs/dbraw/zinc/24/63/06/418246306.db2.gz ALVQIABSFVYWQL-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000655271142 418246307 /nfs/dbraw/zinc/24/63/07/418246307.db2.gz ALVQIABSFVYWQL-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000649351549 418246704 /nfs/dbraw/zinc/24/67/04/418246704.db2.gz ACYILEQTZFPMAI-CYBMUJFWSA-N 1 3 303.410 0.772 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000649071157 418190754 /nfs/dbraw/zinc/19/07/54/418190754.db2.gz DFKXRNHBUMWNPY-ZDUSSCGKSA-N 1 3 310.442 0.297 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660074857 418227674 /nfs/dbraw/zinc/22/76/74/418227674.db2.gz SMBBWPPFQBHJMY-DLBZAZTESA-N 1 3 312.502 0.399 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660074857 418227678 /nfs/dbraw/zinc/22/76/78/418227678.db2.gz SMBBWPPFQBHJMY-DLBZAZTESA-N 1 3 312.502 0.399 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000660704389 418283284 /nfs/dbraw/zinc/28/32/84/418283284.db2.gz NOYHWNWPOPPTPL-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000660704389 418283288 /nfs/dbraw/zinc/28/32/88/418283288.db2.gz NOYHWNWPOPPTPL-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO CN(CC1CN(C)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000660714226 418284566 /nfs/dbraw/zinc/28/45/66/418284566.db2.gz YUHXGQXHJGXJEX-OAHLLOKOSA-N 1 3 323.485 0.358 20 0 DCADHO CN(CC1CN(C)C1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000660714226 418284567 /nfs/dbraw/zinc/28/45/67/418284567.db2.gz YUHXGQXHJGXJEX-OAHLLOKOSA-N 1 3 323.485 0.358 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)C1 ZINC000655927111 418302772 /nfs/dbraw/zinc/30/27/72/418302772.db2.gz GIRWAIKIQLCLSM-GUBZILKMSA-N 1 3 312.336 0.237 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(CCN(C)C)C(=O)C2)C1 ZINC000660911285 418304367 /nfs/dbraw/zinc/30/43/67/418304367.db2.gz BBLOKIDSMZRLQV-IYBDPMFKSA-N 1 3 310.486 0.670 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(CCN(C)C)C(=O)C2)C1 ZINC000660911285 418304368 /nfs/dbraw/zinc/30/43/68/418304368.db2.gz BBLOKIDSMZRLQV-IYBDPMFKSA-N 1 3 310.486 0.670 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656022026 418318816 /nfs/dbraw/zinc/31/88/16/418318816.db2.gz RYRJBKUQWWWOGC-RRFJBIMHSA-N 1 3 322.453 0.235 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000650715227 418321264 /nfs/dbraw/zinc/32/12/64/418321264.db2.gz VGVOYRABARFPIM-ZFWWWQNUSA-N 1 3 302.422 0.810 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655468366 418265845 /nfs/dbraw/zinc/26/58/45/418265845.db2.gz MZEACSPYERMNOI-DOTOQJQBSA-N 1 3 308.470 0.472 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000655577382 418277471 /nfs/dbraw/zinc/27/74/71/418277471.db2.gz VFHMQPKFIDKBMW-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000655577382 418277473 /nfs/dbraw/zinc/27/74/73/418277473.db2.gz VFHMQPKFIDKBMW-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO NC(=O)CNC(=O)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656197514 418334883 /nfs/dbraw/zinc/33/48/83/418334883.db2.gz PJHGRPXHCUYJTK-KGLIPLIRSA-N 1 3 304.394 0.261 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000651194378 418353737 /nfs/dbraw/zinc/35/37/37/418353737.db2.gz FCFGMJBNVDJJMC-OAHLLOKOSA-N 1 3 300.447 0.330 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000651194378 418353738 /nfs/dbraw/zinc/35/37/38/418353738.db2.gz FCFGMJBNVDJJMC-OAHLLOKOSA-N 1 3 300.447 0.330 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2C[C@@H]3COC[C@]3(C)C2)C1=O ZINC000656479092 418357445 /nfs/dbraw/zinc/35/74/45/418357445.db2.gz WQPHTZUMANQTMG-WWGRRREGSA-N 1 3 309.410 0.034 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H]2C[C@H](O)C23CCC3)CC1 ZINC000661834412 418363845 /nfs/dbraw/zinc/36/38/45/418363845.db2.gz GVBJROQOSQZQGJ-GJZGRUSLSA-N 1 3 309.454 0.869 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662260541 418395069 /nfs/dbraw/zinc/39/50/69/418395069.db2.gz OVYMQJQHPJMKPK-ZACQAIPSSA-N 1 3 310.486 0.465 20 0 DCADHO Cn1cncc1CCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000662273114 418395812 /nfs/dbraw/zinc/39/58/12/418395812.db2.gz TVUWMIJFFMPINW-OAHLLOKOSA-N 1 3 307.442 0.672 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662407090 418407666 /nfs/dbraw/zinc/40/76/66/418407666.db2.gz RMNQALKFHITDJY-UPJWGTAASA-N 1 3 308.430 0.333 20 0 DCADHO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000662407458 418408053 /nfs/dbraw/zinc/40/80/53/418408053.db2.gz CHCAFNCOMBUUKD-CQSZACIVSA-N 1 3 303.410 0.818 20 0 DCADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000662426187 418409298 /nfs/dbraw/zinc/40/92/98/418409298.db2.gz NTNSBNTXQHBULR-NSHDSACASA-N 1 3 309.418 0.164 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000460078988 287513353 /nfs/dbraw/zinc/51/33/53/287513353.db2.gz SPLGEXCOJCTESP-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000187258660 261122838 /nfs/dbraw/zinc/12/28/38/261122838.db2.gz JJLPAZQLOGHLHQ-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000187258660 261122840 /nfs/dbraw/zinc/12/28/40/261122840.db2.gz JJLPAZQLOGHLHQ-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354703610 261262307 /nfs/dbraw/zinc/26/23/07/261262307.db2.gz ZSRPTWHMJXSYNX-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CN(C(=O)[C@H]2CCCN2C)CCN1C1CC[NH+](C)CC1 ZINC000354946073 261291421 /nfs/dbraw/zinc/29/14/21/261291421.db2.gz AJBRLCZZIJTDOJ-GOEBONIOSA-N 1 3 308.470 0.708 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](N)CC(F)F)CC1 ZINC000356136480 261395918 /nfs/dbraw/zinc/39/59/18/261395918.db2.gz YAPJVCRMAZXGFV-JQWIXIFHSA-N 1 3 307.385 0.520 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N(C)C ZINC000363220498 262106759 /nfs/dbraw/zinc/10/67/59/262106759.db2.gz DGSUIDSAJYOSLK-HZPDHXFCSA-N 1 3 310.486 0.811 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N(C)C ZINC000363220498 262106760 /nfs/dbraw/zinc/10/67/60/262106760.db2.gz DGSUIDSAJYOSLK-HZPDHXFCSA-N 1 3 310.486 0.811 20 0 DCADHO CC(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)N1CCN(C)CC1 ZINC000416963583 262242765 /nfs/dbraw/zinc/24/27/65/262242765.db2.gz VGYLTELNMSXSEL-LSDHHAIUSA-N 1 3 311.474 0.295 20 0 DCADHO C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000417017188 262243490 /nfs/dbraw/zinc/24/34/90/262243490.db2.gz OOASDOUWAYCGBL-CABCVRRESA-N 1 3 312.458 0.785 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000417066845 262244851 /nfs/dbraw/zinc/24/48/51/262244851.db2.gz MDZQINXGAMLZTI-UHFFFAOYSA-N 1 3 319.453 0.453 20 0 DCADHO CN(CCNC(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000417232740 262248134 /nfs/dbraw/zinc/24/81/34/262248134.db2.gz QLJNHJJXSXTDRK-OAHLLOKOSA-N 1 3 306.410 0.406 20 0 DCADHO CCN(CCNC(=O)NCC1(COC)CC[NH2+]CC1)C1CC1 ZINC000417433577 262251492 /nfs/dbraw/zinc/25/14/92/262251492.db2.gz VVOTXEVNUQUKRC-UHFFFAOYSA-N 1 3 312.458 0.786 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417434710 262251621 /nfs/dbraw/zinc/25/16/21/262251621.db2.gz AGWBTTPSFUMDHF-HNNXBMFYSA-N 1 3 312.458 0.738 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417584650 262255714 /nfs/dbraw/zinc/25/57/14/262255714.db2.gz NKVHMERGIHZPFV-GDBMZVCRSA-N 1 3 312.458 0.929 20 0 DCADHO CCC[NH2+]CCNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000417758916 262260525 /nfs/dbraw/zinc/26/05/25/262260525.db2.gz VOAYIHJZOADJAP-OAHLLOKOSA-N 1 3 313.490 0.559 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCOC2(CNC2)C1 ZINC000417792460 262261524 /nfs/dbraw/zinc/26/15/24/262261524.db2.gz KKJCASDCVYPAEW-HNNXBMFYSA-N 1 3 322.453 0.635 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCOC2(CNC2)C1 ZINC000417792460 262261525 /nfs/dbraw/zinc/26/15/25/262261525.db2.gz KKJCASDCVYPAEW-HNNXBMFYSA-N 1 3 322.453 0.635 20 0 DCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000417979067 262266632 /nfs/dbraw/zinc/26/66/32/262266632.db2.gz IMXIFGSEDAOICC-ZBFHGGJFSA-N 1 3 320.437 0.876 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000418115631 262270470 /nfs/dbraw/zinc/27/04/70/262270470.db2.gz OUOMSPULCBWRIU-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000418287314 262273620 /nfs/dbraw/zinc/27/36/20/262273620.db2.gz JZPBZICXRSNYOY-MRXNPFEDSA-N 1 3 323.485 0.552 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000418376006 262275756 /nfs/dbraw/zinc/27/57/56/262275756.db2.gz XWWXXUVVULDHHZ-LSDHHAIUSA-N 1 3 312.458 0.521 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418515822 262280155 /nfs/dbraw/zinc/28/01/55/262280155.db2.gz YSNMCEVAYPBIKE-HNNXBMFYSA-N 1 3 306.410 0.409 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418526119 262281779 /nfs/dbraw/zinc/28/17/79/262281779.db2.gz NANAITNYIRFOEG-PBHICJAKSA-N 1 3 320.437 0.660 20 0 DCADHO C[C@@]1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCC[NH2+]C1 ZINC000418546209 262282378 /nfs/dbraw/zinc/28/23/78/262282378.db2.gz QKVJTQHMQFMYAX-GOEBONIOSA-N 1 3 312.458 0.522 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418667580 262285522 /nfs/dbraw/zinc/28/55/22/262285522.db2.gz HHDTYPFHJWSOCE-RDJZCZTQSA-N 1 3 320.437 0.832 20 0 DCADHO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H]1CCCN(CCCO)C1 ZINC000418744504 262286828 /nfs/dbraw/zinc/28/68/28/262286828.db2.gz FBRTUBTUTKCVJY-CABCVRRESA-N 1 3 312.458 0.665 20 0 DCADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CNCCO1 ZINC000418761229 262287791 /nfs/dbraw/zinc/28/77/91/262287791.db2.gz HQPSNSODKZFORW-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000418879287 262294923 /nfs/dbraw/zinc/29/49/23/262294923.db2.gz SIXGJMLNWFEJFM-JSGCOSHPSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419017670 262305767 /nfs/dbraw/zinc/30/57/67/262305767.db2.gz BFTXCLNTMUGDFJ-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419075885 262306738 /nfs/dbraw/zinc/30/67/38/262306738.db2.gz GUURLPPRQCTHTB-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419081789 262307922 /nfs/dbraw/zinc/30/79/22/262307922.db2.gz SDUZHWYROCIDJF-SOUVJXGZSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419096458 262309028 /nfs/dbraw/zinc/30/90/28/262309028.db2.gz CMWMZFXVZZLQHR-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCCC[NH3+] ZINC000419104524 262309714 /nfs/dbraw/zinc/30/97/14/262309714.db2.gz HNORTDZFZNPVJC-AWEZNQCLSA-N 1 3 320.437 0.478 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419121504 262310496 /nfs/dbraw/zinc/31/04/96/262310496.db2.gz MLUVOZXZCAGJGD-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419172014 262316358 /nfs/dbraw/zinc/31/63/58/262316358.db2.gz QGOZWQZKDYUULT-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419228305 262320773 /nfs/dbraw/zinc/32/07/73/262320773.db2.gz MCDYDNFGZYAWHG-GJZGRUSLSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419336679 262326020 /nfs/dbraw/zinc/32/60/20/262326020.db2.gz PXSPCNHDCRITNA-BYCMXARLSA-N 1 3 322.453 0.219 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419404385 262330585 /nfs/dbraw/zinc/33/05/85/262330585.db2.gz GDVRPLUUMACHCR-KBPBESRZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419480896 262333677 /nfs/dbraw/zinc/33/36/77/262333677.db2.gz NVVFEPSEAKJTMG-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419480446 262333689 /nfs/dbraw/zinc/33/36/89/262333689.db2.gz NIPJDRHLULDUEB-DZGCQCFKSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419480446 262333690 /nfs/dbraw/zinc/33/36/90/262333690.db2.gz NIPJDRHLULDUEB-DZGCQCFKSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCCNCC1 ZINC000419478822 262333759 /nfs/dbraw/zinc/33/37/59/262333759.db2.gz KFQZIZVLQICTRC-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCCNCC1 ZINC000419478822 262333760 /nfs/dbraw/zinc/33/37/60/262333760.db2.gz KFQZIZVLQICTRC-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)C1CC1 ZINC000419509206 262336919 /nfs/dbraw/zinc/33/69/19/262336919.db2.gz DOPBXYMMZLWAGV-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N(C)C1CC1 ZINC000419592537 262338911 /nfs/dbraw/zinc/33/89/11/262338911.db2.gz SCTIQWQDSUTEHO-RISCZKNCSA-N 1 3 310.442 0.219 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419587172 262339090 /nfs/dbraw/zinc/33/90/90/262339090.db2.gz NLWDPWCEOKUEAB-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419595427 262339817 /nfs/dbraw/zinc/33/98/17/262339817.db2.gz WTSMHWUUHNIFDN-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419690498 262345446 /nfs/dbraw/zinc/34/54/46/262345446.db2.gz CMUSJXHCFIHQDW-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419690498 262345448 /nfs/dbraw/zinc/34/54/48/262345448.db2.gz CMUSJXHCFIHQDW-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419693511 262345865 /nfs/dbraw/zinc/34/58/65/262345865.db2.gz JASBXGZVQSUHDB-CHWSQXEVSA-N 1 3 308.426 0.069 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419927333 262353512 /nfs/dbraw/zinc/35/35/12/262353512.db2.gz CIDPVXWVQGGLOL-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419981081 262355647 /nfs/dbraw/zinc/35/56/47/262355647.db2.gz RQCSIVOLQFFWQW-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420056113 262357714 /nfs/dbraw/zinc/35/77/14/262357714.db2.gz IGZKPCMUILNQMY-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420071095 262359153 /nfs/dbraw/zinc/35/91/53/262359153.db2.gz XNEWPIRZDPYJSN-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420071095 262359154 /nfs/dbraw/zinc/35/91/54/262359154.db2.gz XNEWPIRZDPYJSN-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420108674 262361173 /nfs/dbraw/zinc/36/11/73/262361173.db2.gz YMIKYYACKHMGLO-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000420134816 262362172 /nfs/dbraw/zinc/36/21/72/262362172.db2.gz GEWHUIOXGZDIGH-UONOGXRCSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000420140787 262363237 /nfs/dbraw/zinc/36/32/37/262363237.db2.gz YWZCHKISRRELFL-BARDWOONSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000420190102 262366383 /nfs/dbraw/zinc/36/63/83/262366383.db2.gz GRSXNCNROQXITR-APIJFGDWSA-N 1 3 324.469 0.467 20 0 DCADHO c1ccc([C@H](CN2CCOCC2)NCCN2CC[NH2+]CC2)cc1 ZINC000420369995 262371879 /nfs/dbraw/zinc/37/18/79/262371879.db2.gz JHHJPBNETXEFDW-SFHVURJKSA-N 1 3 318.465 0.555 20 0 DCADHO O=C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCNCC1 ZINC000420369867 262372074 /nfs/dbraw/zinc/37/20/74/262372074.db2.gz JDFDFJIDFDJFLC-RDJZCZTQSA-N 1 3 320.481 0.757 20 0 DCADHO O=C(CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCNCC1 ZINC000420369867 262372075 /nfs/dbraw/zinc/37/20/75/262372075.db2.gz JDFDFJIDFDJFLC-RDJZCZTQSA-N 1 3 320.481 0.757 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000423238627 262434171 /nfs/dbraw/zinc/43/41/71/262434171.db2.gz RJDNVWNJUQCGHF-KBPBESRZSA-N 1 3 312.458 0.371 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423628395 262451133 /nfs/dbraw/zinc/45/11/33/262451133.db2.gz WFNPHRGFLFSIHI-CABCVRRESA-N 1 3 322.453 0.413 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000423740280 262458591 /nfs/dbraw/zinc/45/85/91/262458591.db2.gz SBCJFNYZLHXGRP-UKRRQHHQSA-N 1 3 324.469 0.561 20 0 DCADHO [NH3+]C1(CNC(=O)C[C@H]2CNCCO2)C2CC3CC(C2)CC1C3 ZINC000424039861 262478410 /nfs/dbraw/zinc/47/84/10/262478410.db2.gz DIMGKOVFSUPURG-RWUOKQAASA-N 1 3 307.438 0.635 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418470743 271247212 /nfs/dbraw/zinc/24/72/12/271247212.db2.gz LPBLJAVSKAQUTJ-ZIAGYGMSSA-N 1 3 311.474 0.391 20 0 DCADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCN1CCCO)C1CCCC1 ZINC000418624474 271248695 /nfs/dbraw/zinc/24/86/95/271248695.db2.gz PANMDRJQJNIWBU-HUUCEWRRSA-N 1 3 312.458 0.650 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419032503 271267777 /nfs/dbraw/zinc/26/77/77/271267777.db2.gz WVLOZFMFIDBYNC-JKIFEVAISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419028836 271267913 /nfs/dbraw/zinc/26/79/13/271267913.db2.gz QNXFSYYOQSVIHF-QPSCCSFWSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000419247182 271278112 /nfs/dbraw/zinc/27/81/12/271278112.db2.gz WWBTVGHRIRDHRH-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000419247548 271278722 /nfs/dbraw/zinc/27/87/22/271278722.db2.gz XFFCYXYZQRDADQ-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C[NH+]1CCCC1 ZINC000419833019 271332464 /nfs/dbraw/zinc/33/24/64/271332464.db2.gz SEAXPLGVUCXUDP-HIFRSBDPSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419902406 271341320 /nfs/dbraw/zinc/34/13/20/271341320.db2.gz UKPGTWNSSRLGIA-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C)C1 ZINC000419903658 271341389 /nfs/dbraw/zinc/34/13/89/271341389.db2.gz MNFNHVWSZRMSPY-MELADBBJSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419933144 271344204 /nfs/dbraw/zinc/34/42/04/271344204.db2.gz FGWCJFXKVAUKNN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000420115775 271356452 /nfs/dbraw/zinc/35/64/52/271356452.db2.gz FPRUUJKDIHNFHP-AWEZNQCLSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000422826130 271386434 /nfs/dbraw/zinc/38/64/34/271386434.db2.gz KYKNUXHBVNRFKL-HZPDHXFCSA-N 1 3 318.469 0.576 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCN(C)C2=O)CC[NH2+]CC1 ZINC000422822781 271386950 /nfs/dbraw/zinc/38/69/50/271386950.db2.gz KPFRGXSLTSDJFS-QWHCGFSZSA-N 1 3 311.426 0.518 20 0 DCADHO C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1C[NH3+] ZINC000424055037 271394872 /nfs/dbraw/zinc/39/48/72/271394872.db2.gz BAYQCHKXKGPJJE-QPSCCSFWSA-N 1 3 324.469 0.228 20 0 DCADHO CCN1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424130899 271399423 /nfs/dbraw/zinc/39/94/23/271399423.db2.gz FQCZLNCIOCYGTE-CYBMUJFWSA-N 1 3 306.414 0.417 20 0 DCADHO CCN1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424130900 271399639 /nfs/dbraw/zinc/39/96/39/271399639.db2.gz FQCZLNCIOCYGTE-ZDUSSCGKSA-N 1 3 306.414 0.417 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000459904247 272017645 /nfs/dbraw/zinc/01/76/45/272017645.db2.gz ZFBVBQRXZBLVCT-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000459904247 272017646 /nfs/dbraw/zinc/01/76/46/272017646.db2.gz ZFBVBQRXZBLVCT-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CC[C@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000488494377 272045654 /nfs/dbraw/zinc/04/56/54/272045654.db2.gz ALGJVYNBBCNIDA-HNNXBMFYSA-N 1 3 312.458 0.615 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491848339 272107339 /nfs/dbraw/zinc/10/73/39/272107339.db2.gz NFVYGYWWLZHREH-FPLPWBNLSA-N 1 3 310.442 0.117 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000492336972 272124316 /nfs/dbraw/zinc/12/43/16/272124316.db2.gz IQGXXKFXWDFPTD-XQRVVYSFSA-N 1 3 311.426 0.496 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC1 ZINC000424084139 276194499 /nfs/dbraw/zinc/19/44/99/276194499.db2.gz XKXIQNRSVFBPLG-INIZCTEOSA-N 1 3 316.449 0.931 20 0 DCADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000547296264 288035845 /nfs/dbraw/zinc/03/58/45/288035845.db2.gz QGLZVOZKNCEABI-IJEWVQPXSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000547296264 288035847 /nfs/dbraw/zinc/03/58/47/288035847.db2.gz QGLZVOZKNCEABI-IJEWVQPXSA-N 1 3 312.458 0.473 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C1CC1 ZINC000422304569 279189617 /nfs/dbraw/zinc/18/96/17/279189617.db2.gz YTJHJUKMIGAWDU-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C1CC1 ZINC000422304569 279189618 /nfs/dbraw/zinc/18/96/18/279189618.db2.gz YTJHJUKMIGAWDU-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000377273275 279354876 /nfs/dbraw/zinc/35/48/76/279354876.db2.gz LYFBKBYEDQKFSV-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H]1CN(CCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CCCO1 ZINC000423080713 288163478 /nfs/dbraw/zinc/16/34/78/288163478.db2.gz ZYQAOHQGBYOIGM-OIISXLGYSA-N 1 3 311.470 0.844 20 0 DCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000236900905 280123825 /nfs/dbraw/zinc/12/38/25/280123825.db2.gz LSYPYBPOKNSLSO-PMPSAXMXSA-N 1 3 310.486 0.988 20 0 DCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000236900905 280123827 /nfs/dbraw/zinc/12/38/27/280123827.db2.gz LSYPYBPOKNSLSO-PMPSAXMXSA-N 1 3 310.486 0.988 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000554453063 288321324 /nfs/dbraw/zinc/32/13/24/288321324.db2.gz RPSDDTDWKOJOBH-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000554453063 288321328 /nfs/dbraw/zinc/32/13/28/288321328.db2.gz RPSDDTDWKOJOBH-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000557246429 288414939 /nfs/dbraw/zinc/41/49/39/288414939.db2.gz GXWIAGFEUPVCBR-AWEZNQCLSA-N 1 3 312.458 0.324 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000561226911 288533822 /nfs/dbraw/zinc/53/38/22/288533822.db2.gz DRXAGYBUCJZJMC-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO COCCNCC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000563078066 288625559 /nfs/dbraw/zinc/62/55/59/288625559.db2.gz MWALXIGELONCCY-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000563618886 288691717 /nfs/dbraw/zinc/69/17/17/288691717.db2.gz QOSIEVQHQCVCCW-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000339634858 289304774 /nfs/dbraw/zinc/30/47/74/289304774.db2.gz IOOUKWGZNFJQCX-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351563505 289353390 /nfs/dbraw/zinc/35/33/90/289353390.db2.gz KXYZCLWRYNYJPN-HUUCEWRRSA-N 1 3 318.421 0.274 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332067748 295244861 /nfs/dbraw/zinc/24/48/61/295244861.db2.gz SSKAJNNZIFRCOZ-IHRRRGAJSA-N 1 3 308.426 0.069 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332067748 295244862 /nfs/dbraw/zinc/24/48/62/295244862.db2.gz SSKAJNNZIFRCOZ-IHRRRGAJSA-N 1 3 308.426 0.069 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278939366 295620260 /nfs/dbraw/zinc/62/02/60/295620260.db2.gz FXXHQEZGUCYOSE-LLVKDONJSA-N 1 3 303.410 0.843 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CN1C1CC1 ZINC000333127252 297274121 /nfs/dbraw/zinc/27/41/21/297274121.db2.gz BGNRUFRSLJCIQA-FMKPAKJESA-N 1 3 321.469 0.301 20 0 DCADHO C[C@@H]1C[C@H](CN2CCCC[C@H]2CNS(C)(=O)=O)CC[NH2+]1 ZINC000414681609 297399420 /nfs/dbraw/zinc/39/94/20/297399420.db2.gz WDCKXUDHOBCHFR-MCIONIFRSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333931579 298563728 /nfs/dbraw/zinc/56/37/28/298563728.db2.gz GDDFLIWYHUHJEM-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000339635819 298678583 /nfs/dbraw/zinc/67/85/83/298678583.db2.gz GVTXIMZSEDDFHG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCN(C2CC2)C1 ZINC000333720493 300145660 /nfs/dbraw/zinc/14/56/60/300145660.db2.gz UNPBKMXAMKKPQW-HIFRSBDPSA-N 1 3 310.442 0.491 20 0 DCADHO CO[C@H](CN)C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000584233251 331873597 /nfs/dbraw/zinc/87/35/97/331873597.db2.gz QJWAGMHPRUQKKY-VXGBXAGGSA-N 1 3 324.450 0.588 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCN1C1CCOCC1 ZINC000584290831 332219968 /nfs/dbraw/zinc/21/99/68/332219968.db2.gz JEXJEOQLXJKZGS-LSDHHAIUSA-N 1 3 311.426 0.125 20 0 DCADHO N[C@@H]1C[C@@H]2CN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000580213708 333013257 /nfs/dbraw/zinc/01/32/57/333013257.db2.gz CXTKMGNKUCLUHI-RBSFLKMASA-N 1 3 316.405 0.237 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000580213797 333013624 /nfs/dbraw/zinc/01/36/24/333013624.db2.gz DYEVQSAVMOZEKA-GJZGRUSLSA-N 1 3 312.458 0.785 20 0 DCADHO CN(C)C1(C(=O)N2CCO[C@@H](C[NH2+]CCCF)C2)CCC1 ZINC001570143020 1159209714 /nfs/dbraw/zinc/20/97/14/1159209714.db2.gz YPNNHGHDVYWEDQ-ZDUSSCGKSA-N 1 3 301.406 0.647 20 0 DCADHO C[C@H]1CCN[C@@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000582476015 337095909 /nfs/dbraw/zinc/09/59/09/337095909.db2.gz FWKSVVYZTOJIIQ-GXTWGEPZSA-N 1 3 303.410 0.818 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000582725549 337125725 /nfs/dbraw/zinc/12/57/25/337125725.db2.gz QDTSZSWIUASPPD-HYVNUMGLSA-N 1 3 316.449 0.610 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000584459668 337343934 /nfs/dbraw/zinc/34/39/34/337343934.db2.gz HTDWPOWSJYKLPI-OAHLLOKOSA-N 1 3 312.458 0.737 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000584459668 337343935 /nfs/dbraw/zinc/34/39/35/337343935.db2.gz HTDWPOWSJYKLPI-OAHLLOKOSA-N 1 3 312.458 0.737 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000575636501 341800919 /nfs/dbraw/zinc/80/09/19/341800919.db2.gz LEGCHEYKPOCQJP-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000365024686 521013378 /nfs/dbraw/zinc/01/33/78/521013378.db2.gz CTJYFCHZAZBFJY-MRXNPFEDSA-N 1 3 308.470 0.711 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331868027 528997091 /nfs/dbraw/zinc/99/70/91/528997091.db2.gz AKZXTBRLWIXTJJ-RRFJBIMHSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423568169 536355257 /nfs/dbraw/zinc/35/52/57/536355257.db2.gz DQZUNRJGWATVLT-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)C1CC[NH+](C)CC1 ZINC000090018408 545716191 /nfs/dbraw/zinc/71/61/91/545716191.db2.gz RKGLSUSBLATYSA-WFASDCNBSA-N 1 3 305.426 0.845 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000342998807 546128272 /nfs/dbraw/zinc/12/82/72/546128272.db2.gz XZRGNAVWPSPEEV-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CCN1CC[C@](C)(C(N)=O)C1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361571234 546203917 /nfs/dbraw/zinc/20/39/17/546203917.db2.gz IWLDZQHVQZNDJW-KCXAZCMYSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CCN1CC[C@](C)(C(N)=O)C1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361571234 546203920 /nfs/dbraw/zinc/20/39/20/546203920.db2.gz IWLDZQHVQZNDJW-KCXAZCMYSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@@H+]1CC[C@](C)(C(N)=O)C1)N1CC[C@](C)(C(N)=O)C1 ZINC000361571234 546203925 /nfs/dbraw/zinc/20/39/25/546203925.db2.gz IWLDZQHVQZNDJW-KCXAZCMYSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@H+]1CC[C@](C)(C(N)=O)C1)N1CC[C@](C)(C(N)=O)C1 ZINC000361571234 546203930 /nfs/dbraw/zinc/20/39/30/546203930.db2.gz IWLDZQHVQZNDJW-KCXAZCMYSA-N 1 3 310.442 0.160 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000389690486 546218809 /nfs/dbraw/zinc/21/88/09/546218809.db2.gz ZYBRQAAYEAWURA-GFCCVEGCSA-N 1 3 306.414 0.417 20 0 DCADHO O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662251575 546370695 /nfs/dbraw/zinc/37/06/95/546370695.db2.gz HAFCGCAZEVRKKE-GJZGRUSLSA-N 1 3 307.438 0.746 20 0 DCADHO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662251575 546370698 /nfs/dbraw/zinc/37/06/98/546370698.db2.gz HAFCGCAZEVRKKE-GJZGRUSLSA-N 1 3 307.438 0.746 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@H]1CO ZINC000665761507 546394963 /nfs/dbraw/zinc/39/49/63/546394963.db2.gz GPQCZIXPGDGSOJ-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@H]1CO ZINC000665761507 546394966 /nfs/dbraw/zinc/39/49/66/546394966.db2.gz GPQCZIXPGDGSOJ-SOUVJXGZSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1[C@H](C)O ZINC000665763611 546397668 /nfs/dbraw/zinc/39/76/68/546397668.db2.gz GXXXRBMBYTUQBC-SOUVJXGZSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1[C@H](C)O ZINC000665763611 546397669 /nfs/dbraw/zinc/39/76/69/546397669.db2.gz GXXXRBMBYTUQBC-SOUVJXGZSA-N 1 3 314.474 0.813 20 0 DCADHO CCn1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000665770423 546399296 /nfs/dbraw/zinc/39/92/96/546399296.db2.gz JGMMNDVKDHWDND-UHFFFAOYSA-N 1 3 310.446 0.538 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+](CCO)CCc2ccccc2)C1 ZINC000666640967 546492478 /nfs/dbraw/zinc/49/24/78/546492478.db2.gz MYTYLBPCLRWPGW-QGZVFWFLSA-N 1 3 319.449 0.721 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCO)CCc2ccccc2)C1 ZINC000666640967 546492483 /nfs/dbraw/zinc/49/24/83/546492483.db2.gz MYTYLBPCLRWPGW-QGZVFWFLSA-N 1 3 319.449 0.721 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000668794432 546847448 /nfs/dbraw/zinc/84/74/48/546847448.db2.gz HIBKLCIYTWGWFR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000668794432 546847452 /nfs/dbraw/zinc/84/74/52/546847452.db2.gz HIBKLCIYTWGWFR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000668794432 546847456 /nfs/dbraw/zinc/84/74/56/546847456.db2.gz HIBKLCIYTWGWFR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000668830623 546856069 /nfs/dbraw/zinc/85/60/69/546856069.db2.gz HRQSNPNOSWUBAA-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000668830623 546856074 /nfs/dbraw/zinc/85/60/74/546856074.db2.gz HRQSNPNOSWUBAA-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO COCC1(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000669491009 546978663 /nfs/dbraw/zinc/97/86/63/546978663.db2.gz HYHQSLVAKSUSFL-OAHLLOKOSA-N 1 3 324.469 0.786 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000669530071 546985874 /nfs/dbraw/zinc/98/58/74/546985874.db2.gz PMKNTXJAUOEVQL-HZPDHXFCSA-N 1 3 323.485 0.550 20 0 DCADHO COCC1(CNC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC[NH2+]CC1 ZINC000669529399 546985983 /nfs/dbraw/zinc/98/59/83/546985983.db2.gz OYHUJZRAGKPCFL-HIFRSBDPSA-N 1 3 324.469 0.785 20 0 DCADHO CN1CCN(CCNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1(C)C ZINC000669580244 546993971 /nfs/dbraw/zinc/99/39/71/546993971.db2.gz QTUBKPFDXJGMGD-GJZGRUSLSA-N 1 3 323.485 0.406 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000670629915 547117775 /nfs/dbraw/zinc/11/77/75/547117775.db2.gz SRPWGVLVSPDFLB-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@@H](N2CC[C@]3(C2)CCCOC3)C1=O ZINC000671191825 547175917 /nfs/dbraw/zinc/17/59/17/547175917.db2.gz INTRBGFWIHMVEB-CJNGLKHVSA-N 1 3 309.410 0.178 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671820036 547297654 /nfs/dbraw/zinc/29/76/54/547297654.db2.gz HTGVATPVYPZVMM-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000672207898 547330024 /nfs/dbraw/zinc/33/00/24/547330024.db2.gz XJGYAPIWJOGJNF-KGLIPLIRSA-N 1 3 324.469 0.574 20 0 DCADHO CC1CCN(CC(=O)NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000675568365 547693494 /nfs/dbraw/zinc/69/34/94/547693494.db2.gz SDQAIRQCHZWYKH-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC1CCN(CC(=O)NCCCN2CCC[N@@H+](C)CC2)CC1 ZINC000675568365 547693498 /nfs/dbraw/zinc/69/34/98/547693498.db2.gz SDQAIRQCHZWYKH-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nnnn2C)[C@H](C)C1 ZINC000678546255 547989317 /nfs/dbraw/zinc/98/93/17/547989317.db2.gz FWYMRBWXSBAYJO-ZIAGYGMSSA-N 1 3 310.446 0.479 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nnnn2C)[C@H](C)C1 ZINC000678546255 547989319 /nfs/dbraw/zinc/98/93/19/547989319.db2.gz FWYMRBWXSBAYJO-ZIAGYGMSSA-N 1 3 310.446 0.479 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nnnn2C)[C@H](C)C1 ZINC000678546252 547989406 /nfs/dbraw/zinc/98/94/06/547989406.db2.gz FWYMRBWXSBAYJO-KGLIPLIRSA-N 1 3 310.446 0.479 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NCCc2nnnn2C)[C@H](C)C1 ZINC000678546252 547989408 /nfs/dbraw/zinc/98/94/08/547989408.db2.gz FWYMRBWXSBAYJO-KGLIPLIRSA-N 1 3 310.446 0.479 20 0 DCADHO C[C@H](CS(C)(=O)=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678771896 548002762 /nfs/dbraw/zinc/00/27/62/548002762.db2.gz ROLBWJXDGGSBOV-CHWSQXEVSA-N 1 3 303.472 0.178 20 0 DCADHO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000683822815 548521809 /nfs/dbraw/zinc/52/18/09/548521809.db2.gz UKRUXABBCYQYSV-LSDHHAIUSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000683822815 548521813 /nfs/dbraw/zinc/52/18/13/548521813.db2.gz UKRUXABBCYQYSV-LSDHHAIUSA-N 1 3 324.469 0.975 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C3CC3)C2)CC1 ZINC000683851398 548524659 /nfs/dbraw/zinc/52/46/59/548524659.db2.gz USKBEZAKSIYXCX-YOEHRIQHSA-N 1 3 320.481 0.898 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C3CC3)C2)CC1 ZINC000683851398 548524664 /nfs/dbraw/zinc/52/46/64/548524664.db2.gz USKBEZAKSIYXCX-YOEHRIQHSA-N 1 3 320.481 0.898 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCCN3C3CC3)C2)CC1 ZINC000683851398 548524671 /nfs/dbraw/zinc/52/46/71/548524671.db2.gz USKBEZAKSIYXCX-YOEHRIQHSA-N 1 3 320.481 0.898 20 0 DCADHO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000685647447 548728297 /nfs/dbraw/zinc/72/82/97/548728297.db2.gz BOQOMLWEIKTAPI-CABCVRRESA-N 1 3 306.458 0.815 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980390516 660926644 /nfs/dbraw/zinc/92/66/44/660926644.db2.gz IOYBBYSAKFEQLM-CABCVRRESA-N 1 3 305.426 0.368 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980390516 660926647 /nfs/dbraw/zinc/92/66/47/660926647.db2.gz IOYBBYSAKFEQLM-CABCVRRESA-N 1 3 305.426 0.368 20 0 DCADHO C[C@H](O)CN1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964803 660988454 /nfs/dbraw/zinc/98/84/54/660988454.db2.gz PBVWHYAWIIQSEM-GJZGRUSLSA-N 1 3 309.454 0.824 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998266273 665426661 /nfs/dbraw/zinc/42/66/61/665426661.db2.gz PQIALXNBIUWNCE-CYBMUJFWSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998266273 665426663 /nfs/dbraw/zinc/42/66/63/665426663.db2.gz PQIALXNBIUWNCE-CYBMUJFWSA-N 1 3 323.466 0.818 20 0 DCADHO COC[C@H](C)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765068 665463867 /nfs/dbraw/zinc/46/38/67/665463867.db2.gz UHCSBUYEAQVMFF-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998548319 665478168 /nfs/dbraw/zinc/47/81/68/665478168.db2.gz GGNDSGRQCFZPGK-PIMMBPRGSA-N 1 3 320.441 0.471 20 0 DCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1cnnn1C ZINC000939054147 665478230 /nfs/dbraw/zinc/47/82/30/665478230.db2.gz FHULQFGVRLHDEG-IUODEOHRSA-N 1 3 320.441 0.093 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000891580024 657498952 /nfs/dbraw/zinc/49/89/52/657498952.db2.gz RYGFKINLWZTRGK-OAHLLOKOSA-N 1 3 311.474 0.537 20 0 DCADHO C[C@H](CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)CN1CCN(C)CC1 ZINC000891601993 657515602 /nfs/dbraw/zinc/51/56/02/657515602.db2.gz JOIJVZNXSQVFST-HLLBOEOZSA-N 1 3 323.485 0.454 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021273979 657539133 /nfs/dbraw/zinc/53/91/33/657539133.db2.gz HHBBCKUVLDRURF-UYTSQGDYSA-N 1 3 309.454 0.965 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021273979 657539135 /nfs/dbraw/zinc/53/91/35/657539135.db2.gz HHBBCKUVLDRURF-UYTSQGDYSA-N 1 3 309.454 0.965 20 0 DCADHO O=C(N1CC[C@@H](NCc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC000970493797 657572118 /nfs/dbraw/zinc/57/21/18/657572118.db2.gz FHBCBGPGGFWXKN-GFCCVEGCSA-N 1 3 306.435 0.929 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1)N(C)C ZINC000971779785 657667897 /nfs/dbraw/zinc/66/78/97/657667897.db2.gz SZWQRDSZDVPOQU-ZIAGYGMSSA-N 1 3 308.430 0.151 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1)N(C)C ZINC000971779785 657667900 /nfs/dbraw/zinc/66/79/00/657667900.db2.gz SZWQRDSZDVPOQU-ZIAGYGMSSA-N 1 3 308.430 0.151 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000998726057 665513315 /nfs/dbraw/zinc/51/33/15/665513315.db2.gz YQUHBDAIILTDLS-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001022361082 657796547 /nfs/dbraw/zinc/79/65/47/657796547.db2.gz OXYBESYQBPXFKF-BETUJISGSA-N 1 3 318.425 0.180 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCc3cncc(F)c3)C2)C1 ZINC000970712318 657816019 /nfs/dbraw/zinc/81/60/19/657816019.db2.gz MFHSRMOSIXNOHQ-UKRRQHHQSA-N 1 3 306.385 0.863 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCc3cncc(F)c3)C2)C1 ZINC000970712318 657816023 /nfs/dbraw/zinc/81/60/23/657816023.db2.gz MFHSRMOSIXNOHQ-UKRRQHHQSA-N 1 3 306.385 0.863 20 0 DCADHO COc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970713513 657817902 /nfs/dbraw/zinc/81/79/02/657817902.db2.gz ZKGCNFPDLMRFSW-HUUCEWRRSA-N 1 3 318.421 0.732 20 0 DCADHO COc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970713513 657817910 /nfs/dbraw/zinc/81/79/10/657817910.db2.gz ZKGCNFPDLMRFSW-HUUCEWRRSA-N 1 3 318.421 0.732 20 0 DCADHO C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000970785561 657907111 /nfs/dbraw/zinc/90/71/11/657907111.db2.gz BTQODATYIKVVQN-CZUORRHYSA-N 1 3 305.422 0.933 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC[C@H]1C[NH3+] ZINC000926324650 658046814 /nfs/dbraw/zinc/04/68/14/658046814.db2.gz BOKRZCHKTOHCLW-QLFBSQMISA-N 1 3 322.453 0.126 20 0 DCADHO CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968678 658103889 /nfs/dbraw/zinc/10/38/89/658103889.db2.gz GSLOKFLFAMBOEM-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968678 658103892 /nfs/dbraw/zinc/10/38/92/658103892.db2.gz GSLOKFLFAMBOEM-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)C1=O ZINC001020586397 658162087 /nfs/dbraw/zinc/16/20/87/658162087.db2.gz NKNMQSPYHMKUJS-TUVASFSCSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892079095 658167917 /nfs/dbraw/zinc/16/79/17/658167917.db2.gz VALDTOMGWTZCDD-UHOFOFEASA-N 1 3 302.422 0.998 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001020591237 658172148 /nfs/dbraw/zinc/17/21/48/658172148.db2.gz IGJMXCUFRQNQLA-KKUMJFAQSA-N 1 3 309.454 0.992 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)C1 ZINC001023750191 658201620 /nfs/dbraw/zinc/20/16/20/658201620.db2.gz HELZGHXIKBYPSC-CABCVRRESA-N 1 3 320.441 0.058 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN(CCn3cncn3)C2)C1 ZINC001023750191 658201626 /nfs/dbraw/zinc/20/16/26/658201626.db2.gz HELZGHXIKBYPSC-CABCVRRESA-N 1 3 320.441 0.058 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000969947700 658284439 /nfs/dbraw/zinc/28/44/39/658284439.db2.gz GPPJVXKIRWKUSK-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@@H]1CNCCO1 ZINC000892187813 658288837 /nfs/dbraw/zinc/28/88/37/658288837.db2.gz CYOCAIOEBZSAKO-HIFRSBDPSA-N 1 3 319.409 0.290 20 0 DCADHO Cn1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001023890256 658299191 /nfs/dbraw/zinc/29/91/91/658299191.db2.gz WNXHBNADQWHTKE-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022710799 658347618 /nfs/dbraw/zinc/34/76/18/658347618.db2.gz NTUOBPSSCGYTKU-BCUIYNNISA-N 1 3 315.433 0.817 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022718969 658382874 /nfs/dbraw/zinc/38/28/74/658382874.db2.gz GOYUHYQXCCBOOE-SYEHKZFSSA-N 1 3 323.466 0.781 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022718969 658382883 /nfs/dbraw/zinc/38/28/83/658382883.db2.gz GOYUHYQXCCBOOE-SYEHKZFSSA-N 1 3 323.466 0.781 20 0 DCADHO CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001024070622 658420045 /nfs/dbraw/zinc/42/00/45/658420045.db2.gz UFFGZTDPXJRPJS-UJEKJILKSA-N 1 3 307.438 0.698 20 0 DCADHO CN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178670 658508009 /nfs/dbraw/zinc/50/80/09/658508009.db2.gz CDOJKECZTSYZSP-TZMCWYRMSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518432 665591270 /nfs/dbraw/zinc/59/12/70/665591270.db2.gz UISUMBCYNGWBAQ-XQLPTFJDSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518432 665591272 /nfs/dbraw/zinc/59/12/72/665591272.db2.gz UISUMBCYNGWBAQ-XQLPTFJDSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCn3cccn3)C2)C1 ZINC000972335676 658581945 /nfs/dbraw/zinc/58/19/45/658581945.db2.gz RSDVGMSHTWDQHD-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCn3cccn3)C2)C1 ZINC000972335676 658581947 /nfs/dbraw/zinc/58/19/47/658581947.db2.gz RSDVGMSHTWDQHD-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892463517 658592431 /nfs/dbraw/zinc/59/24/31/658592431.db2.gz HZDUIWULXINQFS-UHFFFAOYSA-N 1 3 323.485 0.631 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)C ZINC000804729849 658619607 /nfs/dbraw/zinc/61/96/07/658619607.db2.gz SCPZHLCNDYZKNU-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)C ZINC000804729849 658619609 /nfs/dbraw/zinc/61/96/09/658619609.db2.gz SCPZHLCNDYZKNU-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970170836 658687490 /nfs/dbraw/zinc/68/74/90/658687490.db2.gz UKPWYKGWLKWEHI-RZZRIIHNSA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CC2CC2)C1 ZINC000970192200 658721077 /nfs/dbraw/zinc/72/10/77/658721077.db2.gz YJBBSQDCUMLQEJ-PYDOJAACSA-N 1 3 319.449 0.696 20 0 DCADHO COc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC001021047586 658725361 /nfs/dbraw/zinc/72/53/61/658725361.db2.gz ILOLWVHGXYRWAA-SRVKXCTJSA-N 1 3 324.450 0.840 20 0 DCADHO COc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001021047586 658725363 /nfs/dbraw/zinc/72/53/63/658725363.db2.gz ILOLWVHGXYRWAA-SRVKXCTJSA-N 1 3 324.450 0.840 20 0 DCADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001021048212 658726072 /nfs/dbraw/zinc/72/60/72/658726072.db2.gz VGOXKZHLDLNZQP-UBHSHLNASA-N 1 3 319.409 0.174 20 0 DCADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001021048212 658726076 /nfs/dbraw/zinc/72/60/76/658726076.db2.gz VGOXKZHLDLNZQP-UBHSHLNASA-N 1 3 319.409 0.174 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001021044983 658728313 /nfs/dbraw/zinc/72/83/13/658728313.db2.gz WPRIKLSKEASXDY-IHRRRGAJSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001021044983 658728318 /nfs/dbraw/zinc/72/83/18/658728318.db2.gz WPRIKLSKEASXDY-IHRRRGAJSA-N 1 3 303.410 0.474 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001021093795 658752535 /nfs/dbraw/zinc/75/25/35/658752535.db2.gz ILCKFIJRHACMJD-TUVASFSCSA-N 1 3 322.453 0.328 20 0 DCADHO C[N@H+](CC[C@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427101 658753004 /nfs/dbraw/zinc/75/30/04/658753004.db2.gz UFUJQSGTDAPYCX-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](CC[C@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427101 658753011 /nfs/dbraw/zinc/75/30/11/658753011.db2.gz UFUJQSGTDAPYCX-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000891513362 658898501 /nfs/dbraw/zinc/89/85/01/658898501.db2.gz AZFYUESWDOSBJT-KKUMJFAQSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC000891514679 658903842 /nfs/dbraw/zinc/90/38/42/658903842.db2.gz WVMLULULDXLUPT-TTZDDIAXSA-N 1 3 308.426 0.101 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999372707 665635051 /nfs/dbraw/zinc/63/50/51/665635051.db2.gz OZHGQYIQYSPZPM-UKRRQHHQSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)N3CCC3)C2)C1 ZINC000999403466 665641244 /nfs/dbraw/zinc/64/12/44/665641244.db2.gz PJDFXHGVPLXCEK-WLYUNCDWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999404273 665641418 /nfs/dbraw/zinc/64/14/18/665641418.db2.gz VAMRFNRPHTTZPJ-IUDNXUCKSA-N 1 3 319.453 0.841 20 0 DCADHO CCn1ccc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027216120 659087416 /nfs/dbraw/zinc/08/74/16/659087416.db2.gz RLFGCDBUFUZNFF-GJZGRUSLSA-N 1 3 319.453 0.793 20 0 DCADHO CCn1ccc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027216120 659087422 /nfs/dbraw/zinc/08/74/22/659087422.db2.gz RLFGCDBUFUZNFF-GJZGRUSLSA-N 1 3 319.453 0.793 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001027217147 659089693 /nfs/dbraw/zinc/08/96/93/659089693.db2.gz GBMIVKNFWAOAOI-INIZCTEOSA-N 1 3 309.454 0.947 20 0 DCADHO CC[N@H+](CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000892663086 659100361 /nfs/dbraw/zinc/10/03/61/659100361.db2.gz RZIWFGVKHPZCBE-CVEARBPZSA-N 1 3 324.469 0.711 20 0 DCADHO CC[N@@H+](CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000892663086 659100365 /nfs/dbraw/zinc/10/03/65/659100365.db2.gz RZIWFGVKHPZCBE-CVEARBPZSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973291803 659228436 /nfs/dbraw/zinc/22/84/36/659228436.db2.gz CJKBOELOUIABGI-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973291803 659228438 /nfs/dbraw/zinc/22/84/38/659228438.db2.gz CJKBOELOUIABGI-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)CN1 ZINC000892754402 659431533 /nfs/dbraw/zinc/43/15/33/659431533.db2.gz AICTVJJWLFQYIO-MGPQQGTHSA-N 1 3 310.442 0.537 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892798345 659459609 /nfs/dbraw/zinc/45/96/09/659459609.db2.gz BVOUXBAXFSJDJP-RDJZCZTQSA-N 1 3 318.421 0.067 20 0 DCADHO C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892798345 659459610 /nfs/dbraw/zinc/45/96/10/659459610.db2.gz BVOUXBAXFSJDJP-RDJZCZTQSA-N 1 3 318.421 0.067 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999764947 665681125 /nfs/dbraw/zinc/68/11/25/665681125.db2.gz MGPKIZWDCMYEIX-GWUWNPHMSA-N 1 3 307.438 0.839 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001025778813 659555234 /nfs/dbraw/zinc/55/52/34/659555234.db2.gz FRMCWWVBYGVSKT-ARKGTOAJSA-N 1 3 309.454 0.941 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001025778813 659555236 /nfs/dbraw/zinc/55/52/36/659555236.db2.gz FRMCWWVBYGVSKT-ARKGTOAJSA-N 1 3 309.454 0.941 20 0 DCADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798857 659565295 /nfs/dbraw/zinc/56/52/95/659565295.db2.gz LQAAAKKJBKWGFI-ARKGTOAJSA-N 1 3 307.438 0.696 20 0 DCADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798857 659565296 /nfs/dbraw/zinc/56/52/96/659565296.db2.gz LQAAAKKJBKWGFI-ARKGTOAJSA-N 1 3 307.438 0.696 20 0 DCADHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001019775853 659613080 /nfs/dbraw/zinc/61/30/80/659613080.db2.gz JUNRQSGRBGZECZ-HNNXBMFYSA-N 1 3 318.421 0.877 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1)C1CC1 ZINC001026888203 659627725 /nfs/dbraw/zinc/62/77/25/659627725.db2.gz AFYARWCMBSANKQ-FZMZJTMJSA-N 1 3 323.466 0.816 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001026921038 659639169 /nfs/dbraw/zinc/63/91/69/659639169.db2.gz LBNJOHGJEYGHJV-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001026921036 659639629 /nfs/dbraw/zinc/63/96/29/659639629.db2.gz LBNJOHGJEYGHJV-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999828757 665694822 /nfs/dbraw/zinc/69/48/22/665694822.db2.gz FQFRKQBPXRYNNS-WLYUNCDWSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999828757 665694823 /nfs/dbraw/zinc/69/48/23/665694823.db2.gz FQFRKQBPXRYNNS-WLYUNCDWSA-N 1 3 317.437 0.816 20 0 DCADHO CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974824122 659683212 /nfs/dbraw/zinc/68/32/12/659683212.db2.gz GWEREVQYBBBSIR-CWVKQELPSA-N 1 3 307.438 0.696 20 0 DCADHO CC[N@H+]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974824122 659683216 /nfs/dbraw/zinc/68/32/16/659683216.db2.gz GWEREVQYBBBSIR-CWVKQELPSA-N 1 3 307.438 0.696 20 0 DCADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999833670 665695613 /nfs/dbraw/zinc/69/56/13/665695613.db2.gz BLBSBCSSRYVQMB-HSBZDZAISA-N 1 3 320.441 0.329 20 0 DCADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999833670 665695615 /nfs/dbraw/zinc/69/56/15/665695615.db2.gz BLBSBCSSRYVQMB-HSBZDZAISA-N 1 3 320.441 0.329 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999834857 665696364 /nfs/dbraw/zinc/69/63/64/665696364.db2.gz YOIDTKBCIALWRM-UHFFFAOYSA-N 1 3 319.453 0.637 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001027042799 659728597 /nfs/dbraw/zinc/72/85/97/659728597.db2.gz NYRBIWJCETUPCU-UKRRQHHQSA-N 1 3 322.457 0.339 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](CNCc2nncn2C)C1)[NH+](C)C ZINC001027042511 659729198 /nfs/dbraw/zinc/72/91/98/659729198.db2.gz HEVMOXZAGSBJLZ-UKRRQHHQSA-N 1 3 322.457 0.339 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001027091430 659798496 /nfs/dbraw/zinc/79/84/96/659798496.db2.gz MMAIZRJNWDQJBB-KBPBESRZSA-N 1 3 306.410 0.817 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001000107097 665741891 /nfs/dbraw/zinc/74/18/91/665741891.db2.gz WMQPVVJOOOLMJU-UKRRQHHQSA-N 1 3 322.457 0.482 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028314585 661454608 /nfs/dbraw/zinc/45/46/08/661454608.db2.gz WGEJGWOAKQGIAP-GOEBONIOSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028314585 661454610 /nfs/dbraw/zinc/45/46/10/661454610.db2.gz WGEJGWOAKQGIAP-GOEBONIOSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001028316311 661455665 /nfs/dbraw/zinc/45/56/65/661455665.db2.gz NRYATLMJKURKKR-JKSUJKDBSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001028316311 661455667 /nfs/dbraw/zinc/45/56/67/661455667.db2.gz NRYATLMJKURKKR-JKSUJKDBSA-N 1 3 319.453 0.495 20 0 DCADHO CCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000927633663 661458254 /nfs/dbraw/zinc/45/82/54/661458254.db2.gz QAHBIPDHBYNDRY-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000927633663 661458256 /nfs/dbraw/zinc/45/82/56/661458256.db2.gz QAHBIPDHBYNDRY-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO C[NH+](C)C[C@H](O)CNC1CC(CNC(=O)OC(C)(C)C)C1 ZINC000924993960 661846517 /nfs/dbraw/zinc/84/65/17/661846517.db2.gz NPJOJDYNYRAFQU-WXRRBKDZSA-N 1 3 301.431 0.802 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001000322889 665819894 /nfs/dbraw/zinc/81/98/94/665819894.db2.gz FPXZNEUPLAFLOU-ZIAGYGMSSA-N 1 3 306.410 0.959 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC001000312801 665821035 /nfs/dbraw/zinc/82/10/35/665821035.db2.gz QKQULLQSMQXSFU-ZDUSSCGKSA-N 1 3 302.382 0.430 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001000314914 665821490 /nfs/dbraw/zinc/82/14/90/665821490.db2.gz ZZIPLIJEPOHACI-CYBMUJFWSA-N 1 3 319.409 0.155 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000727032260 662101004 /nfs/dbraw/zinc/10/10/04/662101004.db2.gz HQFLLEPAXKKTRZ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO c1cn(-c2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cn2)cn1 ZINC000262135392 662103998 /nfs/dbraw/zinc/10/39/98/662103998.db2.gz ONNNVRLRKRONPO-INIZCTEOSA-N 1 3 312.421 0.747 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000984800516 662315858 /nfs/dbraw/zinc/31/58/58/662315858.db2.gz PVOYARYBHVDRKP-RBSFLKMASA-N 1 3 319.453 0.889 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC000985119115 662370147 /nfs/dbraw/zinc/37/01/47/662370147.db2.gz HDFHOFRJSBANHT-MGPQQGTHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC000985119115 662370149 /nfs/dbraw/zinc/37/01/49/662370149.db2.gz HDFHOFRJSBANHT-MGPQQGTHSA-N 1 3 306.410 0.919 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)CCC1 ZINC001029755917 662466462 /nfs/dbraw/zinc/46/64/62/662466462.db2.gz PKKZUTWRXCJWKM-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)CCC1 ZINC001029755917 662466464 /nfs/dbraw/zinc/46/64/64/662466464.db2.gz PKKZUTWRXCJWKM-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@@H](CC)C(N)=O)CC1)N(C)C ZINC000985496134 662467560 /nfs/dbraw/zinc/46/75/60/662467560.db2.gz MMAUJHLEPJACIT-UONOGXRCSA-N 1 3 312.458 0.513 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@@H](CC)C(N)=O)CC1)N(C)C ZINC000985496134 662467562 /nfs/dbraw/zinc/46/75/62/662467562.db2.gz MMAUJHLEPJACIT-UONOGXRCSA-N 1 3 312.458 0.513 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1)N(C)C ZINC000985494773 662468289 /nfs/dbraw/zinc/46/82/89/662468289.db2.gz GNPULWCZDMFXPC-OAHLLOKOSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1)N(C)C ZINC000985494773 662468290 /nfs/dbraw/zinc/46/82/90/662468290.db2.gz GNPULWCZDMFXPC-OAHLLOKOSA-N 1 3 322.457 0.541 20 0 DCADHO c1cc2c(cc1CN1CC[C@@H](N3CC[NH2+]CC3)C1)OCCO2 ZINC000262568697 662485001 /nfs/dbraw/zinc/48/50/01/662485001.db2.gz XDPHGLCXWJLYEP-OAHLLOKOSA-N 1 3 303.406 0.937 20 0 DCADHO C[N@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCCNC1=O ZINC001029904991 662554505 /nfs/dbraw/zinc/55/45/05/662554505.db2.gz GISUEERHYAVZDA-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCCNC1=O ZINC001029904991 662554507 /nfs/dbraw/zinc/55/45/07/662554507.db2.gz GISUEERHYAVZDA-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC000987524474 662686152 /nfs/dbraw/zinc/68/61/52/662686152.db2.gz LYZYFVSUVDORMT-ZBFHGGJFSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000988095501 662729284 /nfs/dbraw/zinc/72/92/84/662729284.db2.gz DTFXKXQYKIXPDO-BZPMIXESSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C(=O)Cc1c[nH]cn1 ZINC000988095501 662729285 /nfs/dbraw/zinc/72/92/85/662729285.db2.gz DTFXKXQYKIXPDO-BZPMIXESSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@H]1CCC[N@H+](CCCCN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925283646 662788333 /nfs/dbraw/zinc/78/83/33/662788333.db2.gz SVMVXLCKBOWQSY-KBPBESRZSA-N 1 3 310.442 0.981 20 0 DCADHO C[C@H]1CCC[N@@H+](CCCCN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000925283646 662788334 /nfs/dbraw/zinc/78/83/34/662788334.db2.gz SVMVXLCKBOWQSY-KBPBESRZSA-N 1 3 310.442 0.981 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001000682108 665915808 /nfs/dbraw/zinc/91/58/08/665915808.db2.gz IBGUIWCQPIOWIE-CVEARBPZSA-N 1 3 307.438 0.601 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001000682108 665915809 /nfs/dbraw/zinc/91/58/09/665915809.db2.gz IBGUIWCQPIOWIE-CVEARBPZSA-N 1 3 307.438 0.601 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCN1C ZINC000925322495 662959220 /nfs/dbraw/zinc/95/92/20/662959220.db2.gz FZHDPKGDLLTWES-HIFRSBDPSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCN1C ZINC000925322495 662959221 /nfs/dbraw/zinc/95/92/21/662959221.db2.gz FZHDPKGDLLTWES-HIFRSBDPSA-N 1 3 312.458 0.567 20 0 DCADHO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000990278410 663028561 /nfs/dbraw/zinc/02/85/61/663028561.db2.gz RRTPARIPYHYIOE-INIZCTEOSA-N 1 3 317.437 0.960 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000990278363 663028578 /nfs/dbraw/zinc/02/85/78/663028578.db2.gz QIKLFGCQELFZBA-MRXNPFEDSA-N 1 3 319.453 0.637 20 0 DCADHO CC1CCN(CCC[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000899867578 663195405 /nfs/dbraw/zinc/19/54/05/663195405.db2.gz QIRUQCUVAVLVSG-HNNXBMFYSA-N 1 3 300.443 0.600 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000900439452 663244235 /nfs/dbraw/zinc/24/42/35/663244235.db2.gz HPIFURQLCQEZRX-KGLIPLIRSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900439452 663244238 /nfs/dbraw/zinc/24/42/38/663244238.db2.gz HPIFURQLCQEZRX-KGLIPLIRSA-N 1 3 321.425 0.038 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900439452 663244239 /nfs/dbraw/zinc/24/42/39/663244239.db2.gz HPIFURQLCQEZRX-KGLIPLIRSA-N 1 3 321.425 0.038 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900465570 663247203 /nfs/dbraw/zinc/24/72/03/663247203.db2.gz BDMNCMIUCANBGR-GJZGRUSLSA-N 1 3 319.453 0.969 20 0 DCADHO CN(C)CCn1nccc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000900725973 663275722 /nfs/dbraw/zinc/27/57/22/663275722.db2.gz QFLVJWGXRRZMHC-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO CN(C)CCn1nccc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000900725973 663275723 /nfs/dbraw/zinc/27/57/23/663275723.db2.gz QFLVJWGXRRZMHC-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccnn2CCN(C)C)CC[N@@H+]1C ZINC000900823135 663285175 /nfs/dbraw/zinc/28/51/75/663285175.db2.gz HJKFWWQCSUUFGQ-KBPBESRZSA-N 1 3 307.442 0.999 20 0 DCADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccnn2CCN(C)C)CC[N@H+]1C ZINC000900823135 663285176 /nfs/dbraw/zinc/28/51/76/663285176.db2.gz HJKFWWQCSUUFGQ-KBPBESRZSA-N 1 3 307.442 0.999 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N[C@H](C)C(C)C)C2 ZINC000903490905 663457889 /nfs/dbraw/zinc/45/78/89/663457889.db2.gz MHDQFSGQRMQKMY-IATRGZMQSA-N 1 3 311.426 0.359 20 0 DCADHO C[C@H](NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)C(=O)N1CCCCC1 ZINC000903497092 663458818 /nfs/dbraw/zinc/45/88/18/663458818.db2.gz PFLYOFKQOLUXLY-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO O=C1NCCN1[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725814 663475128 /nfs/dbraw/zinc/47/51/28/663475128.db2.gz HWAOMTTWQZJQRL-LSDHHAIUSA-N 1 3 322.453 0.635 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000903762457 663480024 /nfs/dbraw/zinc/48/00/24/663480024.db2.gz CCBZRORIYKRAPU-KFWWJZLASA-N 1 3 324.469 0.371 20 0 DCADHO COCC(C)(C)N1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903762816 663480460 /nfs/dbraw/zinc/48/04/60/663480460.db2.gz DRXODSVEKUFSOD-NVXWUHKLSA-N 1 3 311.470 0.798 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@H]1CC[NH3+] ZINC000903771697 663481859 /nfs/dbraw/zinc/48/18/59/663481859.db2.gz ONYROPFNXBDGPH-HUUCEWRRSA-N 1 3 324.469 0.374 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cnn1C ZINC000903933055 663496746 /nfs/dbraw/zinc/49/67/46/663496746.db2.gz KJLOVAHUPGIFOX-YCPHGPKFSA-N 1 3 319.453 0.446 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCOc3ccc(N)cc3C2)C1 ZINC000903944307 663497963 /nfs/dbraw/zinc/49/79/63/663497963.db2.gz HWBSEQQPMREMES-ZDUSSCGKSA-N 1 3 318.421 0.661 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCOc3ccc(N)cc3C2)C1 ZINC000903944307 663497964 /nfs/dbraw/zinc/49/79/64/663497964.db2.gz HWBSEQQPMREMES-ZDUSSCGKSA-N 1 3 318.421 0.661 20 0 DCADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)C2 ZINC000904996163 663522410 /nfs/dbraw/zinc/52/24/10/663522410.db2.gz WICADLQQHXQPLS-AJNGGQMLSA-N 1 3 320.437 0.021 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000906709835 663634038 /nfs/dbraw/zinc/63/40/38/663634038.db2.gz XLHBAZUCYSZMLP-AWEZNQCLSA-N 1 3 318.421 0.801 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000906728610 663636139 /nfs/dbraw/zinc/63/61/39/663636139.db2.gz LXTFLLLJZMRXLP-QLFBSQMISA-N 1 3 316.405 0.696 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000907262257 663681697 /nfs/dbraw/zinc/68/16/97/663681697.db2.gz XNKGWPQDOTXECK-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000908200523 663742282 /nfs/dbraw/zinc/74/22/82/663742282.db2.gz ITQRZCDCUCIGTL-JYJNAYRXSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000908200523 663742283 /nfs/dbraw/zinc/74/22/83/663742283.db2.gz ITQRZCDCUCIGTL-JYJNAYRXSA-N 1 3 309.454 0.776 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000908541088 663760686 /nfs/dbraw/zinc/76/06/86/663760686.db2.gz PNVHZCWIYWDKEB-AWEZNQCLSA-N 1 3 323.441 0.021 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911056571 663973442 /nfs/dbraw/zinc/97/34/42/663973442.db2.gz VZPLRUQDAHDTLH-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCC(C)CC1 ZINC000911091125 663980934 /nfs/dbraw/zinc/98/09/34/663980934.db2.gz OAOUSZKJBAXKQC-BYNSBNAKSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911161554 663995731 /nfs/dbraw/zinc/99/57/31/663995731.db2.gz LVKVYKCRYYWLFV-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911325515 664028570 /nfs/dbraw/zinc/02/85/70/664028570.db2.gz TYRPDZYCIXILJM-CBBWQLFWSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911333450 664029793 /nfs/dbraw/zinc/02/97/93/664029793.db2.gz TUAJMDCSONIKJP-LJISPDSOSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000911389439 664042982 /nfs/dbraw/zinc/04/29/82/664042982.db2.gz RNNXGGXZSCEJST-MCIONIFRSA-N 1 3 324.469 0.337 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911530586 664069470 /nfs/dbraw/zinc/06/94/70/664069470.db2.gz ZYONOWKQVAGPCS-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911531580 664070053 /nfs/dbraw/zinc/07/00/53/664070053.db2.gz IAQTYIHGEFXFJS-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911562752 664076524 /nfs/dbraw/zinc/07/65/24/664076524.db2.gz LRNNJUZQABVBJE-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC000911663817 664095863 /nfs/dbraw/zinc/09/58/63/664095863.db2.gz HAEKUEJNRAPSHY-GXTWGEPZSA-N 1 3 321.421 0.955 20 0 DCADHO CN(C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2)[C@@H]1CC[NH2+]C1 ZINC000911786891 664109403 /nfs/dbraw/zinc/10/94/03/664109403.db2.gz GHKBBZFYLDHEIU-OLZOCXBDSA-N 1 3 302.378 0.333 20 0 DCADHO CC1(C)CNCCN1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC000911843975 664113213 /nfs/dbraw/zinc/11/32/13/664113213.db2.gz DAEVQICXBKYTLY-UHFFFAOYSA-N 1 3 302.382 0.055 20 0 DCADHO O=S(=O)(NC1CC[NH+](CC2CCCCC2)CC1)C1CNC1 ZINC000923595341 664629169 /nfs/dbraw/zinc/62/91/69/664629169.db2.gz ITHWILAAMNTDRM-UHFFFAOYSA-N 1 3 315.483 0.922 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC000992851734 664779632 /nfs/dbraw/zinc/77/96/32/664779632.db2.gz CRTPZYCRLRMIFP-ULQDDVLXSA-N 1 3 323.481 0.927 20 0 DCADHO C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCCN1CCCO ZINC000993531629 664977587 /nfs/dbraw/zinc/97/75/87/664977587.db2.gz UJOJRSABIHVMKS-LSDHHAIUSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCN1C ZINC000919405053 665214201 /nfs/dbraw/zinc/21/42/01/665214201.db2.gz XOTWSWVNPAWAMP-FMKPAKJESA-N 1 3 324.469 0.879 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031665703 665275374 /nfs/dbraw/zinc/27/53/74/665275374.db2.gz DYZCHVNUISDUMB-ZBFHGGJFSA-N 1 3 309.454 0.944 20 0 DCADHO COC[C@@H](C)N1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031679222 665285011 /nfs/dbraw/zinc/28/50/11/665285011.db2.gz NCDCJBVPAYSPLT-CYBMUJFWSA-N 1 3 323.441 0.141 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002125403 666135155 /nfs/dbraw/zinc/13/51/55/666135155.db2.gz JXVTZBNFEIFCEC-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002125403 666135156 /nfs/dbraw/zinc/13/51/56/666135156.db2.gz JXVTZBNFEIFCEC-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001002875733 666238426 /nfs/dbraw/zinc/23/84/26/666238426.db2.gz QMVDCVDXYBDXKP-GJZGRUSLSA-N 1 3 313.417 0.790 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCOCCO ZINC000922110114 666254212 /nfs/dbraw/zinc/25/42/12/666254212.db2.gz WUKGPHZDEPZGFM-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCOCCO ZINC000922110114 666254214 /nfs/dbraw/zinc/25/42/14/666254214.db2.gz WUKGPHZDEPZGFM-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001004368849 666525090 /nfs/dbraw/zinc/52/50/90/666525090.db2.gz FVBWIXOIRAFFKC-HUUCEWRRSA-N 1 3 322.453 0.269 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001004368849 666525092 /nfs/dbraw/zinc/52/50/92/666525092.db2.gz FVBWIXOIRAFFKC-HUUCEWRRSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800757 666668773 /nfs/dbraw/zinc/66/87/73/666668773.db2.gz JYMIDQGHIMLGOP-MELADBBJSA-N 1 3 306.410 0.503 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C1 ZINC000946800757 666668775 /nfs/dbraw/zinc/66/87/75/666668775.db2.gz JYMIDQGHIMLGOP-MELADBBJSA-N 1 3 306.410 0.503 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000946804326 666671278 /nfs/dbraw/zinc/67/12/78/666671278.db2.gz KLXBVJAWCQHYEW-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000946804326 666671279 /nfs/dbraw/zinc/67/12/79/666671279.db2.gz KLXBVJAWCQHYEW-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C)C(N)=O ZINC000995996976 666728881 /nfs/dbraw/zinc/72/88/81/666728881.db2.gz OAOLPXZEMINRQZ-CHWSQXEVSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996004423 666729963 /nfs/dbraw/zinc/72/99/63/666729963.db2.gz MZAVEBFVJDEURR-ZIAGYGMSSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996004423 666729965 /nfs/dbraw/zinc/72/99/65/666729965.db2.gz MZAVEBFVJDEURR-ZIAGYGMSSA-N 1 3 324.469 0.419 20 0 DCADHO CC1(C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1NCC(N)=O ZINC000996096027 666738658 /nfs/dbraw/zinc/73/86/58/666738658.db2.gz CLJKBYCBNSQQSQ-DZGCQCFKSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2C[C@H](NCCF)C(C)(C)C2)CC1 ZINC000996470743 666802089 /nfs/dbraw/zinc/80/20/89/666802089.db2.gz IIHMCZUWEWELEX-AWEZNQCLSA-N 1 3 315.433 0.893 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]CC(=O)N3CCC3)CC2)CCC1 ZINC000996670330 666856501 /nfs/dbraw/zinc/85/65/01/666856501.db2.gz JKFXMJHBFOBVJI-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1)C1CC1 ZINC000996680873 666859274 /nfs/dbraw/zinc/85/92/74/666859274.db2.gz VYLDTLNTSCHBQK-HUUCEWRRSA-N 1 3 322.453 0.138 20 0 DCADHO Cn1cc(CNC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000996680804 666859408 /nfs/dbraw/zinc/85/94/08/666859408.db2.gz VGUHLYKMOGZGQK-OAHLLOKOSA-N 1 3 320.441 0.236 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000996689501 666861685 /nfs/dbraw/zinc/86/16/85/666861685.db2.gz FSQJWCNZESKLJA-KGLIPLIRSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCn2cncn2)CC1)N(C)C ZINC000996692206 666862476 /nfs/dbraw/zinc/86/24/76/666862476.db2.gz GPKRLOAVPVTDRT-HNNXBMFYSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2 ZINC000861574118 666946374 /nfs/dbraw/zinc/94/63/74/666946374.db2.gz PLUSVZRDXAUFSP-SRABZTEZSA-N 1 3 322.453 0.491 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861708532 666961824 /nfs/dbraw/zinc/96/18/24/666961824.db2.gz AFRIZSFFLIPAOY-JKSUJKDBSA-N 1 3 309.454 0.920 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000861735524 666969336 /nfs/dbraw/zinc/96/93/36/666969336.db2.gz NOLOIALTSFMKEX-ZIAGYGMSSA-N 1 3 320.437 0.429 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997008927 667071304 /nfs/dbraw/zinc/07/13/04/667071304.db2.gz NEAWIJCNTOUGMQ-SMDDNHRTSA-N 1 3 323.466 0.816 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997008927 667071305 /nfs/dbraw/zinc/07/13/05/667071305.db2.gz NEAWIJCNTOUGMQ-SMDDNHRTSA-N 1 3 323.466 0.816 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001035063508 667226984 /nfs/dbraw/zinc/22/69/84/667226984.db2.gz XECBVWGSNXLERI-OAHLLOKOSA-N 1 3 306.410 0.959 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]CCO)CC1 ZINC000997357428 667256880 /nfs/dbraw/zinc/25/68/80/667256880.db2.gz UMNXSIMSNYZPBQ-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCCO)C2)CC1 ZINC001035166653 667258389 /nfs/dbraw/zinc/25/83/89/667258389.db2.gz FVCHKRIEWGDQNZ-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCCO)C2)CC1 ZINC001035166653 667258391 /nfs/dbraw/zinc/25/83/91/667258391.db2.gz FVCHKRIEWGDQNZ-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000997376772 667283557 /nfs/dbraw/zinc/28/35/57/667283557.db2.gz XCOPVLOAMPUOER-CQSZACIVSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)CCOCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709220 667389244 /nfs/dbraw/zinc/38/92/44/667389244.db2.gz JBNYWADYNLNHSP-ZNMIVQPWSA-N 1 3 311.426 0.916 20 0 DCADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CCCO)C3)CC2)CCC1 ZINC001035720653 667403971 /nfs/dbraw/zinc/40/39/71/667403971.db2.gz OTZWCLVVYKGYCX-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(N1CCC2(CN(CCCO)C2)CC1)C12CCC[NH+]1CCC2 ZINC001035738682 667406030 /nfs/dbraw/zinc/40/60/30/667406030.db2.gz LEGHQLDNJNSPJU-UHFFFAOYSA-N 1 3 321.465 0.922 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)CC[C@H]1[NH2+]Cc1nccn1C ZINC001036294731 667434709 /nfs/dbraw/zinc/43/47/09/667434709.db2.gz SUZSYFFQERJOCN-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000923009068 667456827 /nfs/dbraw/zinc/45/68/27/667456827.db2.gz WPLYNEXYNSOQCX-UHFFFAOYSA-N 1 3 324.469 0.834 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867743717 667494095 /nfs/dbraw/zinc/49/40/95/667494095.db2.gz GWMACLFRMVQBGK-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884210693 667499733 /nfs/dbraw/zinc/49/97/33/667499733.db2.gz HFBAIFUWOOBLGG-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)[C@H](C[NH3+])OC)cc2)CC1 ZINC000884233487 667506438 /nfs/dbraw/zinc/50/64/38/667506438.db2.gz QXBNANQFRLUPMX-HNNXBMFYSA-N 1 3 306.410 0.741 20 0 DCADHO NCc1cn([C@@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC000923374828 667520137 /nfs/dbraw/zinc/52/01/37/667520137.db2.gz CYOSFRXTANESRE-IAGOWNOFSA-N 1 3 315.421 0.977 20 0 DCADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC000923374828 667520140 /nfs/dbraw/zinc/52/01/40/667520140.db2.gz CYOSFRXTANESRE-IAGOWNOFSA-N 1 3 315.421 0.977 20 0 DCADHO CC(C)CC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416792 667527766 /nfs/dbraw/zinc/52/77/66/667527766.db2.gz ZVFDLUWZSBRCEA-XQLPTFJDSA-N 1 3 311.426 0.650 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000923491686 667546658 /nfs/dbraw/zinc/54/66/58/667546658.db2.gz MDXVYGSOPWOVKI-DZGCQCFKSA-N 1 3 303.406 0.777 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H]1CCCCN1CC)[C@@H]1CC[NH2+]C1 ZINC000884617734 667577141 /nfs/dbraw/zinc/57/71/41/667577141.db2.gz RUJDNIKDSXSMSX-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000884787455 667607316 /nfs/dbraw/zinc/60/73/16/667607316.db2.gz SHHRFTXAYQNQRR-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884810581 667609225 /nfs/dbraw/zinc/60/92/25/667609225.db2.gz GKPSVZCBOZKBRK-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[N@H+](CCO)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000886970589 667824130 /nfs/dbraw/zinc/82/41/30/667824130.db2.gz GWDQKNMOVLXQPO-HNNXBMFYSA-N 1 3 322.409 0.393 20 0 DCADHO C[N@@H+](CCO)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000886970589 667824133 /nfs/dbraw/zinc/82/41/33/667824133.db2.gz GWDQKNMOVLXQPO-HNNXBMFYSA-N 1 3 322.409 0.393 20 0 DCADHO CN(C)CCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871813580 667852695 /nfs/dbraw/zinc/85/26/95/667852695.db2.gz UZNDVWRFEIARCN-ZJUUUORDSA-N 1 3 317.377 0.337 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000871815463 667853260 /nfs/dbraw/zinc/85/32/60/667853260.db2.gz INXJYBHPVMGKSE-GOEBONIOSA-N 1 3 323.462 0.978 20 0 DCADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000873263164 668070664 /nfs/dbraw/zinc/07/06/64/668070664.db2.gz SVAKLBBLWZUQPB-UKRRQHHQSA-N 1 3 311.451 0.854 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CCCCC3)C2)C1=O ZINC000925333061 668297547 /nfs/dbraw/zinc/29/75/47/668297547.db2.gz YZJIRILNKXXPBV-KGLIPLIRSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CCCCC3)C2)C1=O ZINC000925333061 668297548 /nfs/dbraw/zinc/29/75/48/668297548.db2.gz YZJIRILNKXXPBV-KGLIPLIRSA-N 1 3 308.426 0.875 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nn1 ZINC000925667884 668340164 /nfs/dbraw/zinc/34/01/64/668340164.db2.gz UATLTGVZHRPQNF-UONOGXRCSA-N 1 3 321.425 0.823 20 0 DCADHO [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2NCc1nnnn1-c1ccccc1 ZINC000925711307 668342169 /nfs/dbraw/zinc/34/21/69/668342169.db2.gz ZUGNDNMYZUFSRD-AGMNKISJSA-N 1 3 314.393 0.504 20 0 DCADHO CCO[C@@H](CNC(=O)Nc1cnc2c(c1)CNCC2)C[NH+](C)C ZINC000926159152 668380593 /nfs/dbraw/zinc/38/05/93/668380593.db2.gz ADIJGKQNQNKVOH-AWEZNQCLSA-N 1 3 321.425 0.816 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926293434 668390922 /nfs/dbraw/zinc/39/09/22/668390922.db2.gz MMZMEFJDBZEZGN-CQSZACIVSA-N 1 3 312.458 0.230 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000926381366 668401007 /nfs/dbraw/zinc/40/10/07/668401007.db2.gz UBLPXUIKUKTHOX-RRFJBIMHSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000926381413 668401157 /nfs/dbraw/zinc/40/11/57/668401157.db2.gz UHLKDPKDPJGKHW-UONOGXRCSA-N 1 3 310.442 0.125 20 0 DCADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876739347 668498956 /nfs/dbraw/zinc/49/89/56/668498956.db2.gz DLUBPDLVNQZYIG-IRXDYDNUSA-N 1 3 318.465 0.556 20 0 DCADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876739347 668498957 /nfs/dbraw/zinc/49/89/57/668498957.db2.gz DLUBPDLVNQZYIG-IRXDYDNUSA-N 1 3 318.465 0.556 20 0 DCADHO CN1CCN(CCCCNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876779958 668509704 /nfs/dbraw/zinc/50/97/04/668509704.db2.gz AANIKNNGKCLULM-WLMCBFPDSA-N 1 3 308.470 0.686 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876781274 668509826 /nfs/dbraw/zinc/50/98/26/668509826.db2.gz OAYWNSJPQLTFLE-INMHGKMJSA-N 1 3 308.470 0.661 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCN(CC)CC1 ZINC000876782255 668510335 /nfs/dbraw/zinc/51/03/35/668510335.db2.gz VCGVFDTWEFAZFQ-HFPBVCCTSA-N 1 3 308.470 0.542 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877193172 668573689 /nfs/dbraw/zinc/57/36/89/668573689.db2.gz VXVBNSVKJDTYNS-HNNXBMFYSA-N 1 3 324.469 0.420 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000877192890 668574097 /nfs/dbraw/zinc/57/40/97/668574097.db2.gz STWOBAQRWAEGNB-ZDUSSCGKSA-N 1 3 311.426 0.601 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3CCCC[NH2+]3)c2)nn1 ZINC000877208234 668577157 /nfs/dbraw/zinc/57/71/57/668577157.db2.gz VHUGETWYNFAYLT-OAHLLOKOSA-N 1 3 314.393 0.484 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)CC2)CC1 ZINC000877251602 668584187 /nfs/dbraw/zinc/58/41/87/668584187.db2.gz RMORJPLOWSXWMQ-GJZGRUSLSA-N 1 3 308.470 0.598 20 0 DCADHO [NH3+]C[C@H]1CCN(S(=O)(=O)N2CCNCC2)c2ccccc21 ZINC000923671177 668717568 /nfs/dbraw/zinc/71/75/68/668717568.db2.gz IMXISVOJEFCMAA-GFCCVEGCSA-N 1 3 310.423 0.089 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929751111 668729147 /nfs/dbraw/zinc/72/91/47/668729147.db2.gz MMQQWQQPKUQNDR-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CON1CC[C@@H](N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000930130590 668965467 /nfs/dbraw/zinc/96/54/67/668965467.db2.gz QDOQFRVFJYKGCD-MRXNPFEDSA-N 1 3 324.469 0.639 20 0 DCADHO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930137295 668967137 /nfs/dbraw/zinc/96/71/37/668967137.db2.gz RFJOXAVPAPHBAL-DFBDCSAJSA-N 1 3 323.481 0.748 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCNCCC12CCC2 ZINC000883657369 669726291 /nfs/dbraw/zinc/72/62/91/669726291.db2.gz ZRHTWGOCWBHFJI-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793722200 669738497 /nfs/dbraw/zinc/73/84/97/669738497.db2.gz KLJQFZHOFCCIOM-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793722200 669738499 /nfs/dbraw/zinc/73/84/99/669738499.db2.gz KLJQFZHOFCCIOM-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO [NH3+]CCOc1cccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000848594417 670700500 /nfs/dbraw/zinc/70/05/00/670700500.db2.gz KQICSDOBLUKDRZ-UONOGXRCSA-N 1 3 320.393 0.307 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC1OCCCO1 ZINC000855346942 670700574 /nfs/dbraw/zinc/70/05/74/670700574.db2.gz PKKFUQSHHFPPKH-ZDUSSCGKSA-N 1 3 301.431 0.528 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC1OCCCO1 ZINC000855346942 670700580 /nfs/dbraw/zinc/70/05/80/670700580.db2.gz PKKFUQSHHFPPKH-ZDUSSCGKSA-N 1 3 301.431 0.528 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN(C(C)=O)C1 ZINC000849024464 670751367 /nfs/dbraw/zinc/75/13/67/670751367.db2.gz JPAZWHXPSCEZBO-GJZGRUSLSA-N 1 3 309.458 0.843 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849482111 670810439 /nfs/dbraw/zinc/81/04/39/670810439.db2.gz QEJBZLFATSZYFL-HZPDHXFCSA-N 1 3 321.469 0.913 20 0 DCADHO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000849523687 670811630 /nfs/dbraw/zinc/81/16/30/670811630.db2.gz XJVJUBPWNAWKNH-XHSDSOJGSA-N 1 3 319.453 0.666 20 0 DCADHO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000849523687 670811635 /nfs/dbraw/zinc/81/16/35/670811635.db2.gz XJVJUBPWNAWKNH-XHSDSOJGSA-N 1 3 319.453 0.666 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849541200 670815602 /nfs/dbraw/zinc/81/56/02/670815602.db2.gz LYRALGDMHJAULD-HZPDHXFCSA-N 1 3 321.469 0.912 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849541200 670815605 /nfs/dbraw/zinc/81/56/05/670815605.db2.gz LYRALGDMHJAULD-HZPDHXFCSA-N 1 3 321.469 0.912 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C[NH+](C)C ZINC000849596552 670822660 /nfs/dbraw/zinc/82/26/60/670822660.db2.gz OZLLKWKJYWWVSS-VNQPRFMTSA-N 1 3 321.469 0.769 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NC2CC([NH+](C)C)C2)cn1 ZINC000849614065 670827231 /nfs/dbraw/zinc/82/72/31/670827231.db2.gz WOOICULWJLJMCP-FJBKBRRZSA-N 1 3 319.453 0.664 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc2c1C[NH2+]C2 ZINC000852798228 671161609 /nfs/dbraw/zinc/16/16/09/671161609.db2.gz GWJVIOFGGMRBPV-ZIAGYGMSSA-N 1 3 301.390 0.883 20 0 DCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853098062 671207964 /nfs/dbraw/zinc/20/79/64/671207964.db2.gz KLDYLVVCZOJGRV-ZFWWWQNUSA-N 1 3 306.410 0.292 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000823562604 671400043 /nfs/dbraw/zinc/40/00/43/671400043.db2.gz WHBVCPZQWFVRTP-KBPBESRZSA-N 1 3 310.442 0.438 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CCO1 ZINC000841997601 671971671 /nfs/dbraw/zinc/97/16/71/671971671.db2.gz ODPTVDYMXDRQGX-MAZHCROVSA-N 1 3 318.421 0.631 20 0 DCADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000842012518 671973155 /nfs/dbraw/zinc/97/31/55/671973155.db2.gz XNOLWVPNPCQKFV-MRXNPFEDSA-N 1 3 320.437 0.878 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N1CCCCC1 ZINC000842014221 671974040 /nfs/dbraw/zinc/97/40/40/671974040.db2.gz ACEFMNOZRLPRFB-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N1CCCCC1 ZINC000842016035 671974858 /nfs/dbraw/zinc/97/48/58/671974858.db2.gz QTRRPCUVIIFGRT-RDBSUJKOSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N1CCCCC1 ZINC000842016789 671975108 /nfs/dbraw/zinc/97/51/08/671975108.db2.gz YAYOVKHBDUJMKF-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2C[NH2+]CCO2)cc(Cl)n1 ZINC000842510605 672015671 /nfs/dbraw/zinc/01/56/71/672015671.db2.gz SWVZMSIFLHBACG-NWDGAFQWSA-N 1 3 312.801 0.538 20 0 DCADHO CC[NH2+]Cc1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 ZINC000843197058 672069306 /nfs/dbraw/zinc/06/93/06/672069306.db2.gz BBJRUZCHQWXIHY-UHFFFAOYSA-N 1 3 302.382 0.993 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843488593 672103673 /nfs/dbraw/zinc/10/36/73/672103673.db2.gz GNMVNLKFSFXSNI-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)CCCC[NH+]1CCCC1 ZINC001691634105 1158410394 /nfs/dbraw/zinc/41/03/94/1158410394.db2.gz PWTCEUPRUUGAKF-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CSCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001649061376 1158628908 /nfs/dbraw/zinc/62/89/08/1158628908.db2.gz WGOMUESOXZHFAM-RYUDHWBXSA-N 1 3 301.456 0.342 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000380950934 685237764 /nfs/dbraw/zinc/23/77/64/685237764.db2.gz RDHDBLXMCYSHEW-HOTGVXAUSA-N 1 3 305.422 0.989 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000380950934 685237769 /nfs/dbraw/zinc/23/77/69/685237769.db2.gz RDHDBLXMCYSHEW-HOTGVXAUSA-N 1 3 305.422 0.989 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000956256791 686664142 /nfs/dbraw/zinc/66/41/42/686664142.db2.gz SJKRETJXHMNQLK-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000956256791 686664147 /nfs/dbraw/zinc/66/41/47/686664147.db2.gz SJKRETJXHMNQLK-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000956947101 686917091 /nfs/dbraw/zinc/91/70/91/686917091.db2.gz RQVXLGKWZVWEBU-MLGOLLRUSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000956947101 686917096 /nfs/dbraw/zinc/91/70/96/686917096.db2.gz RQVXLGKWZVWEBU-MLGOLLRUSA-N 1 3 319.409 0.011 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CC[C@@H]2CCOC2)CC1 ZINC001038664717 694154389 /nfs/dbraw/zinc/15/43/89/694154389.db2.gz WVOCXBRKFGENHW-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)C1 ZINC000960329105 688350876 /nfs/dbraw/zinc/35/08/76/688350876.db2.gz KKPKSVSAXQRHHS-FVQBIDKESA-N 1 3 303.406 0.302 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)C1 ZINC000960329105 688350880 /nfs/dbraw/zinc/35/08/80/688350880.db2.gz KKPKSVSAXQRHHS-FVQBIDKESA-N 1 3 303.406 0.302 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000962400971 688901058 /nfs/dbraw/zinc/90/10/58/688901058.db2.gz BKQPNDDETZLXMS-FOCJUVANSA-N 1 3 304.394 0.344 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000962400971 688901061 /nfs/dbraw/zinc/90/10/61/688901061.db2.gz BKQPNDDETZLXMS-FOCJUVANSA-N 1 3 304.394 0.344 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC000962412011 688902994 /nfs/dbraw/zinc/90/29/94/688902994.db2.gz ZJBMBXWCSOTFST-HALDLXJZSA-N 1 3 318.421 0.734 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC000962412011 688902996 /nfs/dbraw/zinc/90/29/96/688902996.db2.gz ZJBMBXWCSOTFST-HALDLXJZSA-N 1 3 318.421 0.734 20 0 DCADHO C[C@H]1CCN(CCO)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000968525242 690304838 /nfs/dbraw/zinc/30/48/38/690304838.db2.gz OSLVAWIHWOEJJS-WMLDXEAASA-N 1 3 323.481 0.927 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000968967150 690437646 /nfs/dbraw/zinc/43/76/46/690437646.db2.gz IRHKKAZVROMFPL-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000968967150 690437649 /nfs/dbraw/zinc/43/76/49/690437649.db2.gz IRHKKAZVROMFPL-HZPDHXFCSA-N 1 3 319.453 0.985 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001010727786 691363375 /nfs/dbraw/zinc/36/33/75/691363375.db2.gz WVRHSIGUDKKGHT-HUUCEWRRSA-N 1 3 322.453 0.092 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC001011163049 691481109 /nfs/dbraw/zinc/48/11/09/691481109.db2.gz VAYFHXJYGKJKQR-MRXNPFEDSA-N 1 3 322.453 0.093 20 0 DCADHO COCC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016819314 692778144 /nfs/dbraw/zinc/77/81/44/692778144.db2.gz JKCSCQDSKSIAOU-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001017102771 692848560 /nfs/dbraw/zinc/84/85/60/692848560.db2.gz BUEMYURQIFHXCY-DCBWTQNWSA-N 1 3 319.409 0.010 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001017102771 692848567 /nfs/dbraw/zinc/84/85/67/692848567.db2.gz BUEMYURQIFHXCY-DCBWTQNWSA-N 1 3 319.409 0.010 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001018963155 693298887 /nfs/dbraw/zinc/29/88/87/693298887.db2.gz BCLLKAPTIPGVTP-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1)C1CCC1 ZINC001018971479 693301759 /nfs/dbraw/zinc/30/17/59/693301759.db2.gz CBOVDZAYGWQXQI-HNNXBMFYSA-N 1 3 319.453 0.637 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001019381379 693454393 /nfs/dbraw/zinc/45/43/93/693454393.db2.gz IMTZJXPEZRLKKN-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001019381379 693454399 /nfs/dbraw/zinc/45/43/99/693454399.db2.gz IMTZJXPEZRLKKN-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CC1(C)CO[C@H](C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001019435784 693472939 /nfs/dbraw/zinc/47/29/39/693472939.db2.gz MSIOHOQDOFQLTD-JSGCOSHPSA-N 1 3 306.410 0.958 20 0 DCADHO CO[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072815074 694669439 /nfs/dbraw/zinc/66/94/39/694669439.db2.gz RJVYTDFIBYIZMB-UKRRQHHQSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072815074 694669441 /nfs/dbraw/zinc/66/94/41/694669441.db2.gz RJVYTDFIBYIZMB-UKRRQHHQSA-N 1 3 309.454 0.896 20 0 DCADHO C[NH+](C)CCC(=O)NC1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001073041822 694697892 /nfs/dbraw/zinc/69/78/92/694697892.db2.gz MMWKXGDWNBGJBW-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073627288 694755101 /nfs/dbraw/zinc/75/51/01/694755101.db2.gz MFTXLLUORPDSFD-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073627288 694755103 /nfs/dbraw/zinc/75/51/03/694755103.db2.gz MFTXLLUORPDSFD-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H](C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)[NH+]1CCCCCC1 ZINC001074940056 694931109 /nfs/dbraw/zinc/93/11/09/694931109.db2.gz RHXUSLSHJRCFGX-IHRRRGAJSA-N 1 3 310.442 0.315 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001076628436 695033454 /nfs/dbraw/zinc/03/34/54/695033454.db2.gz NDICERGZCRVBSQ-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001076805924 695059627 /nfs/dbraw/zinc/05/96/27/695059627.db2.gz YMGHMYGOXSCARZ-IXDOHACOSA-N 1 3 317.433 0.751 20 0 DCADHO Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001076805924 695059630 /nfs/dbraw/zinc/05/96/30/695059630.db2.gz YMGHMYGOXSCARZ-IXDOHACOSA-N 1 3 317.433 0.751 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001571582415 1162825664 /nfs/dbraw/zinc/82/56/64/1162825664.db2.gz FWIYEMYDYUIZHF-ZDUSSCGKSA-N 1 3 301.406 0.241 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CCn2cncn2)C2CC2)CCC1 ZINC001670481441 1157449355 /nfs/dbraw/zinc/44/93/55/1157449355.db2.gz YCAGUIKGAYCSCY-CQSZACIVSA-N 1 3 320.441 0.247 20 0 DCADHO CCNC(=O)C[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001753574683 1158043139 /nfs/dbraw/zinc/04/31/39/1158043139.db2.gz BWXJNKVJPPFYRF-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C(=O)C2=CCC[NH2+]CC2)CC1 ZINC001648969995 1158198851 /nfs/dbraw/zinc/19/88/51/1158198851.db2.gz FGNBBJZHCSZNCP-UHFFFAOYSA-N 1 3 320.437 0.063 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001648976907 1158264646 /nfs/dbraw/zinc/26/46/46/1158264646.db2.gz YMDDYBVNPPDMQU-CVEARBPZSA-N 1 3 322.497 0.908 20 0 DCADHO CN(CCCNC(=O)[C@@H]1CCCN1C)C(=O)C1CC[NH+](C)CC1 ZINC001687415850 1158298558 /nfs/dbraw/zinc/29/85/58/1158298558.db2.gz ZBZGMUJQNARCCG-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C(=O)C[C@@H](N)C(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001649031419 1158500410 /nfs/dbraw/zinc/50/04/10/1158500410.db2.gz BVAWIUMKEGLKTM-QWHCGFSZSA-N 1 3 318.412 0.596 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CN(CCO)CCCO1)[NH+](CC)CC ZINC001150298889 1158842315 /nfs/dbraw/zinc/84/23/15/1158842315.db2.gz IZLUYJYRRACOBM-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNC/C=C\Cl)C2)C1 ZINC001202058309 1158916715 /nfs/dbraw/zinc/91/67/15/1158916715.db2.gz KEYJSOLVWNKIJL-AGOVTNRESA-N 1 3 315.845 0.898 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](CNC/C=C\Cl)C2)C1 ZINC001202058309 1158916720 /nfs/dbraw/zinc/91/67/20/1158916720.db2.gz KEYJSOLVWNKIJL-AGOVTNRESA-N 1 3 315.845 0.898 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC[C@H](C)C1 ZINC001720096040 1158972314 /nfs/dbraw/zinc/97/23/14/1158972314.db2.gz VFLLYCGFLYDSPB-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC[C@H](C)C1 ZINC001720096040 1158972320 /nfs/dbraw/zinc/97/23/20/1158972320.db2.gz VFLLYCGFLYDSPB-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001447557634 1159659088 /nfs/dbraw/zinc/65/90/88/1159659088.db2.gz ZIHWZGBBWNIUBW-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC001567104089 1160241385 /nfs/dbraw/zinc/24/13/85/1160241385.db2.gz PZYSEWAWUIBORY-AWEZNQCLSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)[C@H]1CCCN1C ZINC001568291625 1160622425 /nfs/dbraw/zinc/62/24/25/1160622425.db2.gz NDZQBTXNUWJCKN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001569092759 1160940547 /nfs/dbraw/zinc/94/05/47/1160940547.db2.gz SZFJRFRZQVPTSH-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCC[NH2+]CCc1cnn(C)c1)C(=O)[C@H]1CCCN1C ZINC001569230068 1160987374 /nfs/dbraw/zinc/98/73/74/1160987374.db2.gz RFCNHADKXURHDV-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO CN(CCC[NH2+]CCc1ccnn1C)C(=O)Cc1c[nH]cn1 ZINC001569243935 1160991356 /nfs/dbraw/zinc/99/13/56/1160991356.db2.gz CWXWTCVKVKVBEF-UHFFFAOYSA-N 1 3 304.398 0.367 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]CCF)CCOCC2)C1 ZINC001570305902 1161556840 /nfs/dbraw/zinc/55/68/40/1161556840.db2.gz LAIUEYWTAISGMK-CYBMUJFWSA-N 1 3 301.406 0.553 20 0 DCADHO C[C@]1(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C[C@H](O)C[NH2+]1 ZINC001573600451 1163514645 /nfs/dbraw/zinc/51/46/45/1163514645.db2.gz FEJBLKIAXXVVEI-YQQAZPJKSA-N 1 3 319.405 0.305 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC([C@@H]3C[C@@H]3[NH3+])CC2)C1=O ZINC001573921273 1163586694 /nfs/dbraw/zinc/58/66/94/1163586694.db2.gz CRILINAIEQEEBF-IHRRRGAJSA-N 1 3 309.410 0.210 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001575139128 1163912219 /nfs/dbraw/zinc/91/22/19/1163912219.db2.gz ILMJBRDQQJKHLR-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCc3cn[nH]n3)C[C@H]21 ZINC001576518050 1164375795 /nfs/dbraw/zinc/37/57/95/1164375795.db2.gz YWUQPHQLRPYARC-DZGCQCFKSA-N 1 3 320.441 0.222 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCc3cn[nH]n3)C[C@H]21 ZINC001576518050 1164375800 /nfs/dbraw/zinc/37/58/00/1164375800.db2.gz YWUQPHQLRPYARC-DZGCQCFKSA-N 1 3 320.441 0.222 20 0 DCADHO C[C@H]1CN(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC001576807093 1164470455 /nfs/dbraw/zinc/47/04/55/1164470455.db2.gz NBHBLJGUNWLDKZ-UONOGXRCSA-N 1 3 308.430 0.013 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001577383892 1164680864 /nfs/dbraw/zinc/68/08/64/1164680864.db2.gz VOANODJSUKXQJG-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001577383892 1164680869 /nfs/dbraw/zinc/68/08/69/1164680869.db2.gz VOANODJSUKXQJG-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN(C)C1 ZINC001577488869 1164702620 /nfs/dbraw/zinc/70/26/20/1164702620.db2.gz KWIGSALERPLPBZ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCc1nnc(N2C[C@@H](C)[C@H]([NH3+])C2)n1CCN1CC=CCC1 ZINC001578306993 1164971632 /nfs/dbraw/zinc/97/16/32/1164971632.db2.gz ZEQYZZIVRZSREE-ZIAGYGMSSA-N 1 3 304.442 0.886 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@@H]4N)C[C@@H]2C1 ZINC001578541106 1165052870 /nfs/dbraw/zinc/05/28/70/1165052870.db2.gz PMCMFJRQNDPADF-AGIUHOORSA-N 1 3 303.410 0.700 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[C@@H]4N)C[C@@H]2C1 ZINC001578541106 1165052875 /nfs/dbraw/zinc/05/28/75/1165052875.db2.gz PMCMFJRQNDPADF-AGIUHOORSA-N 1 3 303.410 0.700 20 0 DCADHO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001579121089 1165216181 /nfs/dbraw/zinc/21/61/81/1165216181.db2.gz PZHMXBTXMQSNGN-FVQBIDKESA-N 1 3 320.437 0.793 20 0 DCADHO NC(=O)[C@@H](CNCCC1([NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC001580084355 1165496822 /nfs/dbraw/zinc/49/68/22/1165496822.db2.gz IZYLAFHOLVHTJG-CQSZACIVSA-N 1 3 323.412 0.957 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580651729 1165673782 /nfs/dbraw/zinc/67/37/82/1165673782.db2.gz FBJFCYUCNYILCY-GJZGRUSLSA-N 1 3 309.454 0.729 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001580654867 1165675303 /nfs/dbraw/zinc/67/53/03/1165675303.db2.gz PABMYVYMAYGTKL-WCQYABFASA-N 1 3 323.359 0.491 20 0 DCADHO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](C[C@]2(O)CCCNC2)C1 ZINC001580722217 1165701683 /nfs/dbraw/zinc/70/16/83/1165701683.db2.gz WBGOQRXSIUOCNU-WMZOPIPTSA-N 1 3 317.433 0.739 20 0 DCADHO O=C(NCc1ccccc1)[C@H]1CC[N@H+](C[C@]2(O)CCCNC2)C1 ZINC001580722217 1165701690 /nfs/dbraw/zinc/70/16/90/1165701690.db2.gz WBGOQRXSIUOCNU-WMZOPIPTSA-N 1 3 317.433 0.739 20 0 DCADHO O=C(c1ccc2c(c1)OCC[NH2+]C2)N1CC(N[C@@H]2CCOC2)C1 ZINC001580818240 1165725536 /nfs/dbraw/zinc/72/55/36/1165725536.db2.gz JBRHBAWOAVSGHS-CQSZACIVSA-N 1 3 317.389 0.372 20 0 DCADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@@H]1CCC2(C1)OCCO2 ZINC001580898253 1165754631 /nfs/dbraw/zinc/75/46/31/1165754631.db2.gz AQNXXJXQASBDLH-OLZOCXBDSA-N 1 3 307.398 0.588 20 0 DCADHO C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591218745 1167163929 /nfs/dbraw/zinc/16/39/29/1167163929.db2.gz ZRNINRYVBKJMOQ-OAHLLOKOSA-N 1 3 316.409 0.832 20 0 DCADHO C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591218745 1167163933 /nfs/dbraw/zinc/16/39/33/1167163933.db2.gz ZRNINRYVBKJMOQ-OAHLLOKOSA-N 1 3 316.409 0.832 20 0 DCADHO CO[C@H]1CN(C)[C@](C)(COC(=O)COC2CC[NH+](C)CC2)C1 ZINC001649242679 1171611988 /nfs/dbraw/zinc/61/19/88/1171611988.db2.gz WJRYJOFUQOTFGE-ZBFHGGJFSA-N 1 3 314.426 0.750 20 0 DCADHO C[C@@H]1CN(C(=O)CN(CC[NH3+])Cc2ccccc2)[C@@H](C)CN1 ZINC001645879762 1172168354 /nfs/dbraw/zinc/16/83/54/1172168354.db2.gz QVEVGSYSEXQDSU-CABCVRRESA-N 1 3 304.438 0.656 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[C@@H]1C[NH3+] ZINC001647561574 1172971763 /nfs/dbraw/zinc/97/17/63/1172971763.db2.gz VPWZRWPMKPDZKL-KBUPBQIOSA-N 1 3 310.442 0.476 20 0 DCADHO C[N@H+](C[C@@H](O)Cn1cc([C@H](N)C2CCOCC2)nn1)C1CC1 ZINC001649972967 1173351375 /nfs/dbraw/zinc/35/13/75/1173351375.db2.gz BSDLLZHEFRVIIS-UKRRQHHQSA-N 1 3 309.414 0.160 20 0 DCADHO C[N@@H+](C[C@@H](O)Cn1cc([C@H](N)C2CCOCC2)nn1)C1CC1 ZINC001649972967 1173351381 /nfs/dbraw/zinc/35/13/81/1173351381.db2.gz BSDLLZHEFRVIIS-UKRRQHHQSA-N 1 3 309.414 0.160 20 0 DCADHO CN1CCNC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001650335656 1173575495 /nfs/dbraw/zinc/57/54/95/1173575495.db2.gz BSLSJEBQVDLBSR-MRXNPFEDSA-N 1 3 308.470 0.661 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)[C@@H]3C[C@@H]3C[NH3+])c2)CC1 ZINC001650341769 1173579955 /nfs/dbraw/zinc/57/99/55/1173579955.db2.gz RGCDYFYGCANLQQ-IAGOWNOFSA-N 1 3 316.449 0.645 20 0 DCADHO CC(C)N1CCCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001650358907 1173591686 /nfs/dbraw/zinc/59/16/86/1173591686.db2.gz DUIHHXYFZWMGKP-UHFFFAOYSA-N 1 3 308.426 0.828 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001666144997 1174589290 /nfs/dbraw/zinc/58/92/90/1174589290.db2.gz BGPYUPCNGANXKV-UONOGXRCSA-N 1 3 310.442 0.032 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)n1 ZINC001669320846 1174919137 /nfs/dbraw/zinc/91/91/37/1174919137.db2.gz RUQGGUBJSVVKPT-DOMZBBRYSA-N 1 3 324.473 0.575 20 0 DCADHO Cn1nncc1CNCC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001672854367 1175158172 /nfs/dbraw/zinc/15/81/72/1175158172.db2.gz WPJZZYRKVVAZPE-AWEZNQCLSA-N 1 3 322.457 0.485 20 0 DCADHO CC[N@@H+]1CCN(C(=O)NCCCCN2CCOCC2)[C@@H](C)C1 ZINC001675812587 1175393230 /nfs/dbraw/zinc/39/32/30/1175393230.db2.gz YAYFIJORKDUPGO-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CC[N@H+]1CCN(C(=O)NCCCCN2CCOCC2)[C@@H](C)C1 ZINC001675812587 1175393241 /nfs/dbraw/zinc/39/32/41/1175393241.db2.gz YAYFIJORKDUPGO-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO NC(=O)CN1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001690902321 1177346176 /nfs/dbraw/zinc/34/61/76/1177346176.db2.gz SCJSHPODPYRFCA-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO CCn1cc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001698840817 1177690129 /nfs/dbraw/zinc/69/01/29/1177690129.db2.gz NASOAWBUSVRRPX-GDBMZVCRSA-N 1 3 321.469 0.976 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCCO)[C@@H](C)C2)CC1 ZINC001698890744 1177708060 /nfs/dbraw/zinc/70/80/60/1177708060.db2.gz FDMVSTUQHVXZOT-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699213067 1177944324 /nfs/dbraw/zinc/94/43/24/1177944324.db2.gz IFELESFNKPOBJQ-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001699280984 1178026481 /nfs/dbraw/zinc/02/64/81/1178026481.db2.gz JUXBMZDUBGDELY-ITDFMYJTSA-N 1 3 308.426 0.141 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCc2ccnn2C)C1 ZINC001699307376 1178051075 /nfs/dbraw/zinc/05/10/75/1178051075.db2.gz FJYNIUKZDPQXOB-BWPKMQGJSA-N 1 3 319.453 0.566 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001699343190 1178088232 /nfs/dbraw/zinc/08/82/32/1178088232.db2.gz ZBZMJCVXFLTWAL-LUNKNMTDSA-N 1 3 324.469 0.361 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001699343190 1178088242 /nfs/dbraw/zinc/08/82/42/1178088242.db2.gz ZBZMJCVXFLTWAL-LUNKNMTDSA-N 1 3 324.469 0.361 20 0 DCADHO O=C(N(CCO)CCNCc1cncs1)C12CC[NH+](CC1)C2 ZINC001700042768 1178457487 /nfs/dbraw/zinc/45/74/87/1178457487.db2.gz WFJNMHLNKMQMCH-UHFFFAOYSA-N 1 3 324.450 0.149 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CCOC2CCC2)C1 ZINC001700162136 1178508000 /nfs/dbraw/zinc/50/80/00/1178508000.db2.gz NYVMAAGWDCFXEM-HNNXBMFYSA-N 1 3 322.409 0.338 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001700592003 1178670855 /nfs/dbraw/zinc/67/08/55/1178670855.db2.gz KKNQIOSSTMKMJH-YHUYYLMFSA-N 1 3 309.454 0.659 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN3CC[C@H](C)C3)[C@@H]2C1 ZINC001700592003 1178670861 /nfs/dbraw/zinc/67/08/61/1178670861.db2.gz KKNQIOSSTMKMJH-YHUYYLMFSA-N 1 3 309.454 0.659 20 0 DCADHO C[C@@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001700676059 1178701926 /nfs/dbraw/zinc/70/19/26/1178701926.db2.gz UURUYKILCUGMIZ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001713634620 1180981114 /nfs/dbraw/zinc/98/11/14/1180981114.db2.gz ZANBZMGFEFMJKN-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CN(CC[NH2+]CCCN1CCCC1=O)C(=O)Cc1c[nH]cn1 ZINC001713638586 1180985563 /nfs/dbraw/zinc/98/55/63/1180985563.db2.gz HNWNTMGDWFCAEF-UHFFFAOYSA-N 1 3 307.398 0.013 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)CC[NH+]1CCCCC1 ZINC001713666867 1181008175 /nfs/dbraw/zinc/00/81/75/1181008175.db2.gz GFZAKWHXQSCLKL-UHFFFAOYSA-N 1 3 307.442 0.844 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC(N)=O ZINC001713688460 1181016051 /nfs/dbraw/zinc/01/60/51/1181016051.db2.gz RVDLAGOELPFSCD-AWEZNQCLSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CC(N)=O ZINC001713688460 1181016055 /nfs/dbraw/zinc/01/60/55/1181016055.db2.gz RVDLAGOELPFSCD-AWEZNQCLSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](C[NH2+]CCCN1CCCC1=O)N(C)C(=O)Cc1c[nH]cn1 ZINC001714776234 1181539806 /nfs/dbraw/zinc/53/98/06/1181539806.db2.gz LAPSFXGXEWUBNQ-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO CCNC(=O)CN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001714830603 1181566058 /nfs/dbraw/zinc/56/60/58/1181566058.db2.gz VQEJUUWKUSWASP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001714830603 1181566067 /nfs/dbraw/zinc/56/60/67/1181566067.db2.gz VQEJUUWKUSWASP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCN2C)cn1 ZINC001715630713 1181909853 /nfs/dbraw/zinc/90/98/53/1181909853.db2.gz JYMNRUOCWQRYEK-SWLSCSKDSA-N 1 3 305.426 0.864 20 0 DCADHO CCN(CC[NH2+]CCO[C@@H]1CC1(F)F)C(=O)[C@@H]1CCCN1C ZINC001715724765 1181959217 /nfs/dbraw/zinc/95/92/17/1181959217.db2.gz XPAVPAPOLDUUBW-QWHCGFSZSA-N 1 3 319.396 0.943 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715734692 1181965611 /nfs/dbraw/zinc/96/56/11/1181965611.db2.gz NRHXQPWGSPZNGU-CQSZACIVSA-N 1 3 320.441 0.393 20 0 DCADHO CCN(CCNCC(=O)N1CCCCC1)C(=O)CC[NH+](C)C ZINC001715756874 1181979190 /nfs/dbraw/zinc/97/91/90/1181979190.db2.gz WBYHMGDWMYFGFB-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001715768362 1181984851 /nfs/dbraw/zinc/98/48/51/1181984851.db2.gz TWYHGRHCDBDLIW-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO CCN(CC[NH2+]CCN1CCCC1=O)C(=O)CN1CCCC1 ZINC001715774412 1181988993 /nfs/dbraw/zinc/98/89/93/1181988993.db2.gz VUQOYJAYDMFGGO-UHFFFAOYSA-N 1 3 310.442 0.143 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001715948454 1182115010 /nfs/dbraw/zinc/11/50/10/1182115010.db2.gz FSAJCOPVHCNKRM-UONOGXRCSA-N 1 3 307.442 0.399 20 0 DCADHO C[C@@H](F)CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001716097165 1182188553 /nfs/dbraw/zinc/18/85/53/1182188553.db2.gz NEDBDZSDOLTAOF-OLZOCXBDSA-N 1 3 303.422 0.676 20 0 DCADHO CCN(CCNCC(=O)N(CC)C1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716253887 1182280073 /nfs/dbraw/zinc/28/00/73/1182280073.db2.gz LYLYOAHXHDXGHZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N(CC)C1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716253887 1182280078 /nfs/dbraw/zinc/28/00/78/1182280078.db2.gz LYLYOAHXHDXGHZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCCCN2C)C1=O ZINC001716310862 1182323497 /nfs/dbraw/zinc/32/34/97/1182323497.db2.gz ILRAEWIGRXTEOJ-SSBHQGKESA-N 1 3 322.453 0.354 20 0 DCADHO CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001718001748 1183102106 /nfs/dbraw/zinc/10/21/06/1183102106.db2.gz XFIYAUOPHIUAKZ-CQSZACIVSA-N 1 3 321.425 0.449 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CCCF)C2)C1 ZINC001724813703 1184569414 /nfs/dbraw/zinc/56/94/14/1184569414.db2.gz AGTVXKJUPKSVCT-KBPBESRZSA-N 1 3 301.406 0.505 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC/C=C/Cl)C1 ZINC001724824155 1184577007 /nfs/dbraw/zinc/57/70/07/1184577007.db2.gz SMUIKUNPBKXOQT-BPJJOFIESA-N 1 3 303.834 0.898 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCOCC(F)F)C2)CCC1 ZINC001731445551 1185337054 /nfs/dbraw/zinc/33/70/54/1185337054.db2.gz QIQBYVTWZPEWND-HAQNSBGRSA-N 1 3 319.396 0.989 20 0 DCADHO Cc1noc(CCC[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001731617827 1185413387 /nfs/dbraw/zinc/41/33/87/1185413387.db2.gz MYSJLUJJIFZUFG-OLZOCXBDSA-N 1 3 323.441 0.747 20 0 DCADHO CCN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)CN(C)C(C)C ZINC001732813221 1185980184 /nfs/dbraw/zinc/98/01/84/1185980184.db2.gz VZRCBFNKFRLSFF-CQSZACIVSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001732996971 1186096295 /nfs/dbraw/zinc/09/62/95/1186096295.db2.gz ZHYCNCHYBZSAHK-GOEBONIOSA-N 1 3 321.469 0.930 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N(CCNCC(N)=O)Cc2ccccc2)C1 ZINC001733572756 1186338032 /nfs/dbraw/zinc/33/80/32/1186338032.db2.gz SEINEUUQNMRZTL-OAHLLOKOSA-N 1 3 318.421 0.042 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N(CCNCC(N)=O)Cc2ccccc2)C1 ZINC001733572756 1186338036 /nfs/dbraw/zinc/33/80/36/1186338036.db2.gz SEINEUUQNMRZTL-OAHLLOKOSA-N 1 3 318.421 0.042 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001733751366 1186432037 /nfs/dbraw/zinc/43/20/37/1186432037.db2.gz INNCMSIEVUJPAZ-CQSZACIVSA-N 1 3 301.431 0.180 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001738527555 1187584071 /nfs/dbraw/zinc/58/40/71/1187584071.db2.gz JOHKLFMGUIVABJ-YVACAVLKSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001738527555 1187584076 /nfs/dbraw/zinc/58/40/76/1187584076.db2.gz JOHKLFMGUIVABJ-YVACAVLKSA-N 1 3 324.469 0.457 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001742518894 1187999022 /nfs/dbraw/zinc/99/90/22/1187999022.db2.gz IUINQOOKYQVFEI-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001742518894 1187999025 /nfs/dbraw/zinc/99/90/25/1187999025.db2.gz IUINQOOKYQVFEI-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)N(C)C ZINC001753285179 1188557739 /nfs/dbraw/zinc/55/77/39/1188557739.db2.gz ZIKJTPLKQHZQRQ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)N(C)C ZINC001753285179 1188557741 /nfs/dbraw/zinc/55/77/41/1188557741.db2.gz ZIKJTPLKQHZQRQ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001753542027 1188616085 /nfs/dbraw/zinc/61/60/85/1188616085.db2.gz ASSFYZCQQRKQDU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CCNCC(=O)NC)C1 ZINC001754063231 1188725769 /nfs/dbraw/zinc/72/57/69/1188725769.db2.gz GNIVIXSBMSPRMM-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)CCNCC(=O)NC)C1 ZINC001754063231 1188725774 /nfs/dbraw/zinc/72/57/74/1188725774.db2.gz GNIVIXSBMSPRMM-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCOCCO ZINC001754467430 1188858246 /nfs/dbraw/zinc/85/82/46/1188858246.db2.gz NMMVKUYLQXBMLZ-ZFWWWQNUSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C)C(N)=O ZINC001755762457 1189204001 /nfs/dbraw/zinc/20/40/01/1189204001.db2.gz CTZIFRLNWDBPAF-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)NCC1=CCN(CCO)CC1 ZINC001755900202 1189254016 /nfs/dbraw/zinc/25/40/16/1189254016.db2.gz XRISFKCOLDTZCR-UHFFFAOYSA-N 1 3 309.454 0.993 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001757994706 1189668102 /nfs/dbraw/zinc/66/81/02/1189668102.db2.gz SQUPLWNMJUAMCA-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001757994706 1189668106 /nfs/dbraw/zinc/66/81/06/1189668106.db2.gz SQUPLWNMJUAMCA-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)CN(C)C ZINC000314046752 1190398876 /nfs/dbraw/zinc/39/88/76/1190398876.db2.gz STMWTIZQTMYMRN-WFASDCNBSA-N 1 3 314.451 0.911 20 0 DCADHO O=C(c1cccc2c1CNC2)N1NC(=O)CC12CC[NH2+]CC2 ZINC001772281965 1190652691 /nfs/dbraw/zinc/65/26/91/1190652691.db2.gz VRDLLEUWJCQDJV-UHFFFAOYSA-N 1 3 300.362 0.289 20 0 DCADHO CN(C)Cc1ccnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1 ZINC001164392755 718809641 /nfs/dbraw/zinc/80/96/41/718809641.db2.gz ORBSOIBAMXZPAM-UHFFFAOYSA-N 1 3 303.410 0.202 20 0 DCADHO c1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)c(CN2CCCC2)c1 ZINC001164399977 718843489 /nfs/dbraw/zinc/84/34/89/718843489.db2.gz MMFSYQCAENWUFK-MRXNPFEDSA-N 1 3 301.438 0.771 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2c[nH]nn2)C(C)(C)C1 ZINC001576517556 1164374732 /nfs/dbraw/zinc/37/47/32/1164374732.db2.gz OUKNADCABAGWGL-CYBMUJFWSA-N 1 3 308.430 0.473 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2c[nH]nn2)C(C)(C)C1 ZINC001576517556 1164374737 /nfs/dbraw/zinc/37/47/37/1164374737.db2.gz OUKNADCABAGWGL-CYBMUJFWSA-N 1 3 308.430 0.473 20 0 DCADHO COCC[N@@H+]1CCO[C@H]2CN(c3cc(CN)ncn3)CC[C@@H]2C1 ZINC001164852283 720846902 /nfs/dbraw/zinc/84/69/02/720846902.db2.gz JXDGLABTUXXAOV-HIFRSBDPSA-N 1 3 321.425 0.109 20 0 DCADHO COCC[N@H+]1CCO[C@H]2CN(c3cc(CN)ncn3)CC[C@@H]2C1 ZINC001164852283 720846905 /nfs/dbraw/zinc/84/69/05/720846905.db2.gz JXDGLABTUXXAOV-HIFRSBDPSA-N 1 3 321.425 0.109 20 0 DCADHO CCCN(C)CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001577058428 1164595204 /nfs/dbraw/zinc/59/52/04/1164595204.db2.gz ZFTUDQVZKSLFNC-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001577058428 1164595209 /nfs/dbraw/zinc/59/52/09/1164595209.db2.gz ZFTUDQVZKSLFNC-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CCOCCOC)CC1 ZINC001203455082 751502500 /nfs/dbraw/zinc/50/25/00/751502500.db2.gz CQKLYKIRRMUXMZ-UHFFFAOYSA-N 1 3 315.458 0.572 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106910572 751552261 /nfs/dbraw/zinc/55/22/61/751552261.db2.gz DVVLEQLAMGKKCN-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C1 ZINC001106910761 751553920 /nfs/dbraw/zinc/55/39/20/751553920.db2.gz NMPVTYPQFMVOLY-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209484361 747003226 /nfs/dbraw/zinc/00/32/26/747003226.db2.gz HJSLEOWSGPRIFL-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](O)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240237 747035931 /nfs/dbraw/zinc/03/59/31/747035931.db2.gz FYIVGGBLESULRW-AWEZNQCLSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCCO ZINC001104292028 747131308 /nfs/dbraw/zinc/13/13/08/747131308.db2.gz GSFONRPPBAKZFB-BMFZPTHFSA-N 1 3 311.470 0.783 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001210811795 747138465 /nfs/dbraw/zinc/13/84/65/747138465.db2.gz RHEVWBPKUDVRLF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001167480529 747276417 /nfs/dbraw/zinc/27/64/17/747276417.db2.gz JOJFZOYIDZVHIB-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001087261828 747583086 /nfs/dbraw/zinc/58/30/86/747583086.db2.gz BEJJFNYYHFTVPG-NSHDSACASA-N 1 3 307.398 0.248 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001087261828 747583089 /nfs/dbraw/zinc/58/30/89/747583089.db2.gz BEJJFNYYHFTVPG-NSHDSACASA-N 1 3 307.398 0.248 20 0 DCADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)C1CCCS1(=O)=O ZINC001143473736 747762084 /nfs/dbraw/zinc/76/20/84/747762084.db2.gz CVDUTXWDKQTDNM-GXSJLCMTSA-N 1 3 310.379 0.004 20 0 DCADHO N=c1sc2c(n1C(=O)C1CCCS1(=O)=O)CC[C@H]([NH3+])C2 ZINC001143480426 747782163 /nfs/dbraw/zinc/78/21/63/747782163.db2.gz HSJZMJQPXSKSOP-OIBJUYFYSA-N 1 3 315.420 0.062 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001077678624 752284570 /nfs/dbraw/zinc/28/45/70/752284570.db2.gz PVQAKBAOOJIONV-NSHDSACASA-N 1 3 309.414 0.223 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535903 748848644 /nfs/dbraw/zinc/84/86/44/748848644.db2.gz HFFRPUPUBKAEOJ-WWGRRREGSA-N 1 3 306.410 0.551 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994913 749180725 /nfs/dbraw/zinc/18/07/25/749180725.db2.gz KFJCKADSBFSPRW-KFWWJZLASA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994913 749180727 /nfs/dbraw/zinc/18/07/27/749180727.db2.gz KFJCKADSBFSPRW-KFWWJZLASA-N 1 3 309.454 0.632 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121171 749245507 /nfs/dbraw/zinc/24/55/07/749245507.db2.gz RYDWZUOATGIHLW-MCIONIFRSA-N 1 3 306.410 0.767 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001088121171 749245513 /nfs/dbraw/zinc/24/55/13/749245513.db2.gz RYDWZUOATGIHLW-MCIONIFRSA-N 1 3 306.410 0.767 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088431424 749439638 /nfs/dbraw/zinc/43/96/38/749439638.db2.gz UOCSIFJQWOXEGU-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2)CC(C)(C)C ZINC001203427473 749554175 /nfs/dbraw/zinc/55/41/75/749554175.db2.gz UGRHRRZCJVBVCY-KGLIPLIRSA-N 1 3 311.470 0.974 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001101039339 749987557 /nfs/dbraw/zinc/98/75/57/749987557.db2.gz HNYVDYBEYPHJMX-UHFFFAOYSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CCCO ZINC001088768930 749995369 /nfs/dbraw/zinc/99/53/69/749995369.db2.gz KJGPYXASYIPORD-KBMXLJTQSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CCCO ZINC001088768930 749995371 /nfs/dbraw/zinc/99/53/71/749995371.db2.gz KJGPYXASYIPORD-KBMXLJTQSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1CCCO ZINC001088768930 749995376 /nfs/dbraw/zinc/99/53/76/749995376.db2.gz KJGPYXASYIPORD-KBMXLJTQSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC001120527838 750672425 /nfs/dbraw/zinc/67/24/25/750672425.db2.gz YAPFTSQIPXKAEA-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC001120527838 750672428 /nfs/dbraw/zinc/67/24/28/750672428.db2.gz YAPFTSQIPXKAEA-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001106246999 751063041 /nfs/dbraw/zinc/06/30/41/751063041.db2.gz UCABGFPDPDRWPJ-MCIONIFRSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001106255196 751068571 /nfs/dbraw/zinc/06/85/71/751068571.db2.gz IUEKTPJMESBPOU-FRRDWIJNSA-N 1 3 310.442 0.029 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106339618 751115513 /nfs/dbraw/zinc/11/55/13/751115513.db2.gz WDKNEBXHQMZHHD-CHWSQXEVSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CC3CC3)C2)C1 ZINC001078468595 753263293 /nfs/dbraw/zinc/26/32/93/753263293.db2.gz KBZZKTDRXVOPCG-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO)N1CCCC1 ZINC001045823965 753343728 /nfs/dbraw/zinc/34/37/28/753343728.db2.gz NGNKXHBFEDFDJI-CABCVRRESA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO)N1CCCC1 ZINC001045823965 753343732 /nfs/dbraw/zinc/34/37/32/753343732.db2.gz NGNKXHBFEDFDJI-CABCVRRESA-N 1 3 309.454 0.918 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035633 753439190 /nfs/dbraw/zinc/43/91/90/753439190.db2.gz RDIKQHXTYLWRIW-HOTGVXAUSA-N 1 3 308.470 0.565 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001046035633 753439192 /nfs/dbraw/zinc/43/91/92/753439192.db2.gz RDIKQHXTYLWRIW-HOTGVXAUSA-N 1 3 308.470 0.565 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035901 753439439 /nfs/dbraw/zinc/43/94/39/753439439.db2.gz WBAJYCTYYZTWCJ-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001046035901 753439443 /nfs/dbraw/zinc/43/94/43/753439443.db2.gz WBAJYCTYYZTWCJ-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC(N(CCO)CCF)CC2)CC1 ZINC001098466421 762269930 /nfs/dbraw/zinc/26/99/30/762269930.db2.gz COQFTYHYKXBUDV-UHFFFAOYSA-N 1 3 315.433 0.583 20 0 DCADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047382084 754229692 /nfs/dbraw/zinc/22/96/92/754229692.db2.gz VZKDTCLJTVTORD-JYJNAYRXSA-N 1 3 307.438 0.242 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001128786832 754287909 /nfs/dbraw/zinc/28/79/09/754287909.db2.gz WOUICKFKZZTXKH-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001128786832 754287914 /nfs/dbraw/zinc/28/79/14/754287914.db2.gz WOUICKFKZZTXKH-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1CCC[N@@H+]1CCC)C(N)=O ZINC001128786114 754288736 /nfs/dbraw/zinc/28/87/36/754288736.db2.gz RPRZYBQAGPRDHU-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H]1CCC[N@H+]1CCC)C(N)=O ZINC001128786114 754288740 /nfs/dbraw/zinc/28/87/40/754288740.db2.gz RPRZYBQAGPRDHU-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168762731 754932573 /nfs/dbraw/zinc/93/25/73/754932573.db2.gz HJVCHAGVCVRDCO-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048859954 754983368 /nfs/dbraw/zinc/98/33/68/754983368.db2.gz AOCRXAJJZAWDFR-KFWWJZLASA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048859954 754983371 /nfs/dbraw/zinc/98/33/71/754983371.db2.gz AOCRXAJJZAWDFR-KFWWJZLASA-N 1 3 309.454 0.896 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001097079736 755592792 /nfs/dbraw/zinc/59/27/92/755592792.db2.gz OGFPGHFBNSLSAI-QXSJWSMHSA-N 1 3 307.438 0.432 20 0 DCADHO Cn1cc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001052931996 755872596 /nfs/dbraw/zinc/87/25/96/755872596.db2.gz FHWSONFSCLCBLW-HZPDHXFCSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001052931996 755872601 /nfs/dbraw/zinc/87/26/01/755872601.db2.gz FHWSONFSCLCBLW-HZPDHXFCSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001080161357 756117506 /nfs/dbraw/zinc/11/75/06/756117506.db2.gz YMAPVSNOAAOWBM-HCBQETRLSA-N 1 3 319.449 0.696 20 0 DCADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001080161357 756117508 /nfs/dbraw/zinc/11/75/08/756117508.db2.gz YMAPVSNOAAOWBM-HCBQETRLSA-N 1 3 319.449 0.696 20 0 DCADHO CCCN(C)CC(=O)N(CC)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080192530 756125713 /nfs/dbraw/zinc/12/57/13/756125713.db2.gz RFLUXPPECGWMAK-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001054298428 756427984 /nfs/dbraw/zinc/42/79/84/756427984.db2.gz OKCAQAAJWUOVFG-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCn1cncn1 ZINC001054738517 756623074 /nfs/dbraw/zinc/62/30/74/756623074.db2.gz QRIPYSDAEZBHCG-UONOGXRCSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082741175 757251435 /nfs/dbraw/zinc/25/14/35/757251435.db2.gz RLEGLXYSBVIILW-IIAWOOMASA-N 1 3 319.453 0.841 20 0 DCADHO O=C(N[C@@H]1CCN(CCCF)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090394056 757393766 /nfs/dbraw/zinc/39/37/66/757393766.db2.gz SKKXRGMJVJCJNA-KGLIPLIRSA-N 1 3 313.417 0.526 20 0 DCADHO CN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001050237480 757526091 /nfs/dbraw/zinc/52/60/91/757526091.db2.gz VIJPZMFMBBJWPW-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)C1 ZINC001084054158 757641513 /nfs/dbraw/zinc/64/15/13/757641513.db2.gz YQDGTVPIGPNWCB-XHSDSOJGSA-N 1 3 309.454 0.680 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCC3CCC3)C[C@@H]2O)C1 ZINC001084054158 757641518 /nfs/dbraw/zinc/64/15/18/757641518.db2.gz YQDGTVPIGPNWCB-XHSDSOJGSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001050542306 757819981 /nfs/dbraw/zinc/81/99/81/757819981.db2.gz CNRKYYHSMZRNRV-AWEZNQCLSA-N 1 3 309.454 0.776 20 0 DCADHO COC[C@@H](C)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630495 757936279 /nfs/dbraw/zinc/93/62/79/757936279.db2.gz ITZRMTHVKQOHCQ-FVQBIDKESA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753438 758027116 /nfs/dbraw/zinc/02/71/16/758027116.db2.gz NEMWEPMOAJEXPU-KBPBESRZSA-N 1 3 322.453 0.126 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753438 758027124 /nfs/dbraw/zinc/02/71/24/758027124.db2.gz NEMWEPMOAJEXPU-KBPBESRZSA-N 1 3 322.453 0.126 20 0 DCADHO COC[C@@H](C)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778305 758037624 /nfs/dbraw/zinc/03/76/24/758037624.db2.gz PRSHHJWYCBGTDW-RBSFLKMASA-N 1 3 307.438 0.650 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001051342136 758584977 /nfs/dbraw/zinc/58/49/77/758584977.db2.gz FOEZMZHXSPVWAS-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO Cc1ccccc1CN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986495 759116742 /nfs/dbraw/zinc/11/67/42/759116742.db2.gz LPDWYHQYJXDAOK-SJORKVTESA-N 1 3 319.449 0.998 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001052081645 759166001 /nfs/dbraw/zinc/16/60/01/759166001.db2.gz DHKYIFKAKLMUNT-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)C[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001052118749 759192820 /nfs/dbraw/zinc/19/28/20/759192820.db2.gz WKROOCFOQQYHIV-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732023 759245476 /nfs/dbraw/zinc/24/54/76/759245476.db2.gz PMXIDVISZCYKGC-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732023 759245483 /nfs/dbraw/zinc/24/54/83/759245483.db2.gz PMXIDVISZCYKGC-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001147884575 767872243 /nfs/dbraw/zinc/87/22/43/767872243.db2.gz FTOFIDRIGQVMRW-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001147884575 767872249 /nfs/dbraw/zinc/87/22/49/767872249.db2.gz FTOFIDRIGQVMRW-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001147884970 767874401 /nfs/dbraw/zinc/87/44/01/767874401.db2.gz ITEMMJGMFDWAGN-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001147884970 767874406 /nfs/dbraw/zinc/87/44/06/767874406.db2.gz ITEMMJGMFDWAGN-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900907 767879694 /nfs/dbraw/zinc/87/96/94/767879694.db2.gz YTAVUPUIJCZLLR-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900907 767879702 /nfs/dbraw/zinc/87/97/02/767879702.db2.gz YTAVUPUIJCZLLR-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001129326768 759760636 /nfs/dbraw/zinc/76/06/36/759760636.db2.gz CQZWSEKHSWZPSV-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001129326768 759760640 /nfs/dbraw/zinc/76/06/40/759760640.db2.gz CQZWSEKHSWZPSV-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CCCC1 ZINC001148000640 767894463 /nfs/dbraw/zinc/89/44/63/767894463.db2.gz SVZDEVRHENNAKM-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001086271517 759930715 /nfs/dbraw/zinc/93/07/15/759930715.db2.gz BULRFIGOTAXVGG-ZQDZILKHSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001086271517 759930722 /nfs/dbraw/zinc/93/07/22/759930722.db2.gz BULRFIGOTAXVGG-ZQDZILKHSA-N 1 3 317.437 0.974 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001086270606 759937733 /nfs/dbraw/zinc/93/77/33/759937733.db2.gz LWIUIQLDUCNIBA-KFWWJZLASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001086270606 759937738 /nfs/dbraw/zinc/93/77/38/759937738.db2.gz LWIUIQLDUCNIBA-KFWWJZLASA-N 1 3 317.437 0.721 20 0 DCADHO COCCCN1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398671 760458995 /nfs/dbraw/zinc/45/89/95/760458995.db2.gz JTZYMWLYKKTMRW-MRXNPFEDSA-N 1 3 313.442 0.326 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001129332870 760698617 /nfs/dbraw/zinc/69/86/17/760698617.db2.gz CTLXQQAPCRRKMZ-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001129332870 760698620 /nfs/dbraw/zinc/69/86/20/760698620.db2.gz CTLXQQAPCRRKMZ-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365774 767974605 /nfs/dbraw/zinc/97/46/05/767974605.db2.gz ZMPGITGEIWVLCH-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341747 760790644 /nfs/dbraw/zinc/79/06/44/760790644.db2.gz YTONYZZYYYEGNC-HNNXBMFYSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129341747 760790649 /nfs/dbraw/zinc/79/06/49/760790649.db2.gz YTONYZZYYYEGNC-HNNXBMFYSA-N 1 3 321.469 0.912 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001070217745 761141512 /nfs/dbraw/zinc/14/15/12/761141512.db2.gz PXWYOHQIZBDIGC-KFWWJZLASA-N 1 3 322.457 0.616 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001148642924 768022572 /nfs/dbraw/zinc/02/25/72/768022572.db2.gz QPTCVXZSDWSNAB-AWEZNQCLSA-N 1 3 301.431 0.230 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H]1COc2ccccc2O1 ZINC001148642910 768022822 /nfs/dbraw/zinc/02/28/22/768022822.db2.gz QFTFGWUCUAZKQB-AWEZNQCLSA-N 1 3 321.421 0.874 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)c1ccccc1F ZINC001148655600 768025058 /nfs/dbraw/zinc/02/50/58/768025058.db2.gz PDTJAWPZRWGCPK-HNNXBMFYSA-N 1 3 311.401 0.907 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](C)O)C1 ZINC001112567922 761696201 /nfs/dbraw/zinc/69/62/01/761696201.db2.gz OOQNCCYEFAVREK-VYDXJSESSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001129437059 762943596 /nfs/dbraw/zinc/94/35/96/762943596.db2.gz VKEOHTMIVDTQPX-BBRMVZONSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535506 762961649 /nfs/dbraw/zinc/96/16/49/762961649.db2.gz VITRFHXCFYXESS-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950474 763054945 /nfs/dbraw/zinc/05/49/45/763054945.db2.gz VJVIQKQKHBVEMD-KBPBESRZSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001129946941 763064870 /nfs/dbraw/zinc/06/48/70/763064870.db2.gz BIDDXQZNBOTRSA-HNNXBMFYSA-N 1 3 308.426 0.177 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N(C)CC1CC1)[NH+](C)C ZINC001129947044 763066008 /nfs/dbraw/zinc/06/60/08/763066008.db2.gz HHPMVCZEYHBNHG-HNNXBMFYSA-N 1 3 312.458 0.147 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@H]2O)CCC1 ZINC001099872479 763089283 /nfs/dbraw/zinc/08/92/83/763089283.db2.gz UXIQLSOMEBVNPG-LSDHHAIUSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C[C@H]2O)CCC1 ZINC001099872479 763089287 /nfs/dbraw/zinc/08/92/87/763089287.db2.gz UXIQLSOMEBVNPG-LSDHHAIUSA-N 1 3 309.454 0.822 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982363 768110375 /nfs/dbraw/zinc/11/03/75/768110375.db2.gz FHOOXINONCXAHG-ARFHVFGLSA-N 1 3 319.453 0.664 20 0 DCADHO CC(C)=CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972038 763176734 /nfs/dbraw/zinc/17/67/34/763176734.db2.gz PVJWOQXHWSJWTO-LSDHHAIUSA-N 1 3 309.454 0.846 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001130426860 763298148 /nfs/dbraw/zinc/29/81/48/763298148.db2.gz DVXXNMKDIWSJSE-AWEZNQCLSA-N 1 3 315.458 0.618 20 0 DCADHO CCN(CC)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001130430999 763300568 /nfs/dbraw/zinc/30/05/68/763300568.db2.gz NWXDLGDVJKRBGA-CYBMUJFWSA-N 1 3 323.441 0.149 20 0 DCADHO CCN(CC)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1 ZINC001130430999 763300578 /nfs/dbraw/zinc/30/05/78/763300578.db2.gz NWXDLGDVJKRBGA-CYBMUJFWSA-N 1 3 323.441 0.149 20 0 DCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC1CC1 ZINC001087087949 768127289 /nfs/dbraw/zinc/12/72/89/768127289.db2.gz CJZRSNHEXDCVOV-UKRRQHHQSA-N 1 3 306.410 0.815 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100408164 763557304 /nfs/dbraw/zinc/55/73/04/763557304.db2.gz XCYWYPOHHZLCFL-LDZOIKDWSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100460188 763589656 /nfs/dbraw/zinc/58/96/56/763589656.db2.gz SWCOTQIVUOAPDG-UHFFFAOYSA-N 1 3 322.457 0.493 20 0 DCADHO CCc1nc([C@H](C)NC2CC(CNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001100637085 763694522 /nfs/dbraw/zinc/69/45/22/763694522.db2.gz AYVSPIIVVKFAFA-HIFPTAJRSA-N 1 3 322.457 0.864 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678207 763718512 /nfs/dbraw/zinc/71/85/12/763718512.db2.gz CNKNMVMDWDPNMD-WLYUNCDWSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccnn2C)C1 ZINC001100769501 763773423 /nfs/dbraw/zinc/77/34/23/763773423.db2.gz MXXCLMJCEKDVLN-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CC/C=C\CC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519834 763843896 /nfs/dbraw/zinc/84/38/96/763843896.db2.gz KQSNNCLOEJUANQ-VEYPKETBSA-N 1 3 307.438 0.912 20 0 DCADHO O=C(NCC[NH2+]Cc1ccsc1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521811 763846821 /nfs/dbraw/zinc/84/68/21/763846821.db2.gz IEBJJVPDIOVWLL-BBBYJDLNSA-N 1 3 321.446 0.817 20 0 DCADHO O=C(NCC[NH2+]C[C@@H]1CCCCO1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521581 763847188 /nfs/dbraw/zinc/84/71/88/763847188.db2.gz BZJURFHWENCGKG-GWUWNPHMSA-N 1 3 323.437 0.125 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001100904826 763849559 /nfs/dbraw/zinc/84/95/59/763849559.db2.gz JANKHZYPPNNHKZ-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](Nc1ccc(CN2CC[NH2+]CC2)cc1)[C@@H]1CNCCO1 ZINC001170566761 763853800 /nfs/dbraw/zinc/85/38/00/763853800.db2.gz HCNBVXLHZBTDKA-PBHICJAKSA-N 1 3 304.438 0.881 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]CCn2cccn2)C1 ZINC001100920885 763857406 /nfs/dbraw/zinc/85/74/06/763857406.db2.gz GPPSHUVUSOGLCY-UHFFFAOYSA-N 1 3 316.409 0.642 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@]2(CCN(CCO)C2)O1 ZINC001131681623 763935565 /nfs/dbraw/zinc/93/55/65/763935565.db2.gz FRQDPMFTBHMKNS-HOCLYGCPSA-N 1 3 313.442 0.012 20 0 DCADHO O=C(CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)NCC1CC1 ZINC001131786100 764031302 /nfs/dbraw/zinc/03/13/02/764031302.db2.gz FJTIFWGCTBCVKS-INIZCTEOSA-N 1 3 322.453 0.093 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286161 764357772 /nfs/dbraw/zinc/35/77/72/764357772.db2.gz DROLUIXIAFMUGH-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCc1cnn(C)c1 ZINC001132278473 764361400 /nfs/dbraw/zinc/36/14/00/764361400.db2.gz PKFSYYUAOQKSDA-GOEBONIOSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001132287515 764364588 /nfs/dbraw/zinc/36/45/88/764364588.db2.gz YKBUPFBOEXCFMA-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO CCNC(=O)CN1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047824 764507835 /nfs/dbraw/zinc/50/78/35/764507835.db2.gz UKLWVUZTWPCBHX-XNRPHZJLSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051907 764510594 /nfs/dbraw/zinc/51/05/94/764510594.db2.gz SEOKOCPKVGNTBC-UMVBOHGHSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CN(C)C1CCC1 ZINC001102051907 764510601 /nfs/dbraw/zinc/51/06/01/764510601.db2.gz SEOKOCPKVGNTBC-UMVBOHGHSA-N 1 3 322.453 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2ccnn2C)C1 ZINC001132737304 764615271 /nfs/dbraw/zinc/61/52/71/764615271.db2.gz KHDYKCVJIVYMIK-AWEZNQCLSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2ccnn2C)C1 ZINC001132737304 764615278 /nfs/dbraw/zinc/61/52/78/764615278.db2.gz KHDYKCVJIVYMIK-AWEZNQCLSA-N 1 3 307.442 0.748 20 0 DCADHO Cc1cc(C[NH2+]CCNC(=O)[C@H]2CN(C(C)C)CCO2)ncn1 ZINC001132848584 764688924 /nfs/dbraw/zinc/68/89/24/764688924.db2.gz LGYZKLWFTZKVMJ-OAHLLOKOSA-N 1 3 321.425 0.100 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001132937182 764739509 /nfs/dbraw/zinc/73/95/09/764739509.db2.gz IAEOYCSBVFZUAY-OLZOCXBDSA-N 1 3 312.458 0.276 20 0 DCADHO C[NH+]1CCC(C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001133281930 764900743 /nfs/dbraw/zinc/90/07/43/764900743.db2.gz UEBKWBZUHYUDGG-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285916 764905818 /nfs/dbraw/zinc/90/58/18/764905818.db2.gz OHBZAPPXXTXMBR-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001133415803 764956579 /nfs/dbraw/zinc/95/65/79/764956579.db2.gz PBAYEBWUTVLJML-OAHLLOKOSA-N 1 3 308.426 0.882 20 0 DCADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133433732 764966890 /nfs/dbraw/zinc/96/68/90/764966890.db2.gz AYYZYJWERPJFOQ-CYBMUJFWSA-N 1 3 321.487 0.103 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1)N(C)C ZINC001133434004 764968085 /nfs/dbraw/zinc/96/80/85/764968085.db2.gz HDSLDLYUDYDORO-LSDHHAIUSA-N 1 3 315.458 0.474 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)N(C)C(C)C)[NH+](CC)CC ZINC001133685677 765093640 /nfs/dbraw/zinc/09/36/40/765093640.db2.gz ZETYYRDUOPEUJZ-CQSZACIVSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001133819626 765149526 /nfs/dbraw/zinc/14/95/26/765149526.db2.gz JPGHTMSSLSHLRY-RDJZCZTQSA-N 1 3 319.449 0.780 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCOCC(F)(F)F ZINC001133833743 765164128 /nfs/dbraw/zinc/16/41/28/765164128.db2.gz FLCLMCDGGFZXEM-LLVKDONJSA-N 1 3 311.348 0.755 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133850950 765170662 /nfs/dbraw/zinc/17/06/62/765170662.db2.gz SBVGYTXZQQIERS-HUUCEWRRSA-N 1 3 315.458 0.068 20 0 DCADHO COc1ncc(CNCCNC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)n1 ZINC001133842638 765176304 /nfs/dbraw/zinc/17/63/04/765176304.db2.gz YHYOXXWLKQMHGN-LBPRGKRZSA-N 1 3 321.425 0.341 20 0 DCADHO COc1ncc(CNCCNC(=O)C[N@H+]2CC[C@H](C)C2)c(C)n1 ZINC001133842638 765176307 /nfs/dbraw/zinc/17/63/07/765176307.db2.gz YHYOXXWLKQMHGN-LBPRGKRZSA-N 1 3 321.425 0.341 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]C[C@H]2CCOC2)C1 ZINC001133856823 765183197 /nfs/dbraw/zinc/18/31/97/765183197.db2.gz RZMYMKUZASBTQQ-CJNGLKHVSA-N 1 3 315.433 0.941 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001133908362 765221714 /nfs/dbraw/zinc/22/17/14/765221714.db2.gz NZXSBIMEVHGTRE-LBPRGKRZSA-N 1 3 300.447 0.147 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccco1)N(C)C ZINC001133968178 765259817 /nfs/dbraw/zinc/25/98/17/765259817.db2.gz QRMUAQQBLLPCPW-JSGCOSHPSA-N 1 3 324.425 0.330 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001115161925 765615974 /nfs/dbraw/zinc/61/59/74/765615974.db2.gz PQAMZGIKEKXBJD-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001115161925 765615979 /nfs/dbraw/zinc/61/59/79/765615979.db2.gz PQAMZGIKEKXBJD-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001134762998 765659555 /nfs/dbraw/zinc/65/95/55/765659555.db2.gz JXHAMQSDNPPRHZ-KGLIPLIRSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001134762998 765659557 /nfs/dbraw/zinc/65/95/57/765659557.db2.gz JXHAMQSDNPPRHZ-KGLIPLIRSA-N 1 3 310.442 0.234 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780804 765671957 /nfs/dbraw/zinc/67/19/57/765671957.db2.gz XBKDIVBVKOXUQT-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115563563 765758380 /nfs/dbraw/zinc/75/83/80/765758380.db2.gz WEPAVAAMHKJUJG-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@H](CC)C(N)=O ZINC001135436847 765932068 /nfs/dbraw/zinc/93/20/68/765932068.db2.gz BYKPSVUOCCWCJE-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474049 765943755 /nfs/dbraw/zinc/94/37/55/765943755.db2.gz FSXWKWBXHKLLNG-OAHLLOKOSA-N 1 3 314.474 0.585 20 0 DCADHO CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086761677 766084279 /nfs/dbraw/zinc/08/42/79/766084279.db2.gz QBRCERMRUOULBA-GXPIHNFMSA-N 1 3 307.438 0.744 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001135744123 766086431 /nfs/dbraw/zinc/08/64/31/766086431.db2.gz WDOYEHZJYPYYFL-CHWSQXEVSA-N 1 3 321.487 0.246 20 0 DCADHO N[C@H](CCC[NH3+])Nc1cn(Cc2cccc(F)c2)c(=O)cn1 ZINC001170904228 766252678 /nfs/dbraw/zinc/25/26/78/766252678.db2.gz MFQYXUPKHTVFQO-ZDUSSCGKSA-N 1 3 305.357 0.866 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CCCF)C[C@@H]2O)CC1 ZINC001090543452 766305402 /nfs/dbraw/zinc/30/54/02/766305402.db2.gz MSQUUFBDVYDBKE-KGLIPLIRSA-N 1 3 301.406 0.239 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC001119402089 766663531 /nfs/dbraw/zinc/66/35/31/766663531.db2.gz MOBYOGIJLITYKI-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC001119413266 766666597 /nfs/dbraw/zinc/66/65/97/766666597.db2.gz PRZGXNLWZFUOMH-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO Cn1nncc1CNC1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001091212811 767032941 /nfs/dbraw/zinc/03/29/41/767032941.db2.gz BCLVTAZWSQAELE-UHFFFAOYSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC001120602870 767091727 /nfs/dbraw/zinc/09/17/27/767091727.db2.gz MJOVGAVLTJEBAF-CABCVRRESA-N 1 3 311.474 0.169 20 0 DCADHO Cc1cnc(CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001091364713 767214076 /nfs/dbraw/zinc/21/40/76/767214076.db2.gz LWIUIQLDUCNIBA-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001091364713 767214078 /nfs/dbraw/zinc/21/40/78/767214078.db2.gz LWIUIQLDUCNIBA-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)C(C)C ZINC001146719590 767511563 /nfs/dbraw/zinc/51/15/63/767511563.db2.gz QUKLCGPHYKSHNO-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@@H](C)C(C)C ZINC001146719590 767511565 /nfs/dbraw/zinc/51/15/65/767511565.db2.gz QUKLCGPHYKSHNO-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2)N(C)C ZINC001121301951 767503240 /nfs/dbraw/zinc/50/32/40/767503240.db2.gz HYIQARITWHOPBG-FZOOGMQUSA-N 1 3 322.453 0.232 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)N(C)C ZINC001121728542 767628434 /nfs/dbraw/zinc/62/84/34/767628434.db2.gz QZIZEXOOLVGNEU-VTUJEPCUSA-N 1 3 310.442 0.075 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)CCSCCC[NH3+])CC1 ZINC001121928750 767672281 /nfs/dbraw/zinc/67/22/81/767672281.db2.gz SVYYZHCHJUAGBT-AWEZNQCLSA-N 1 3 316.515 0.601 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCN[C@@H](CC)C(N)=O ZINC001147449633 767758173 /nfs/dbraw/zinc/75/81/73/767758173.db2.gz WFDPNXYDQVMDRV-AWEZNQCLSA-N 1 3 314.474 0.858 20 0 DCADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001122535709 767828030 /nfs/dbraw/zinc/82/80/30/767828030.db2.gz FYPAUERLZHAFEF-XQQFMLRXSA-N 1 3 317.380 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093825288 768737850 /nfs/dbraw/zinc/73/78/50/768737850.db2.gz BLDBLZGCUZACIL-UMVBOHGHSA-N 1 3 322.453 0.043 20 0 DCADHO CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001093930183 768773286 /nfs/dbraw/zinc/77/32/86/768773286.db2.gz KPRWZEVTSIMGCC-QVCPJDEESA-N 1 3 307.438 0.554 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)CCC1 ZINC001149842759 768881964 /nfs/dbraw/zinc/88/19/64/768881964.db2.gz ZDACKJUWFVWGND-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)CCC1 ZINC001149842759 768881979 /nfs/dbraw/zinc/88/19/79/768881979.db2.gz ZDACKJUWFVWGND-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074461 769252380 /nfs/dbraw/zinc/25/23/80/769252380.db2.gz ZDXRWTPMRJKTBY-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151074461 769252384 /nfs/dbraw/zinc/25/23/84/769252384.db2.gz ZDXRWTPMRJKTBY-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO Cc1ncoc1CNCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156687 769279285 /nfs/dbraw/zinc/27/92/85/769279285.db2.gz GFQOGILBAFAOID-LBPRGKRZSA-N 1 3 310.398 0.157 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(N)=O ZINC001171586415 769316366 /nfs/dbraw/zinc/31/63/66/769316366.db2.gz NNICTRXPVZQAFS-CHWSQXEVSA-N 1 3 314.474 0.855 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)N(CC)CC ZINC001171762976 769371285 /nfs/dbraw/zinc/37/12/85/769371285.db2.gz OSHPSNOULFFEPU-UHFFFAOYSA-N 1 3 300.447 0.293 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(C)CCC ZINC001171770387 769371782 /nfs/dbraw/zinc/37/17/82/769371782.db2.gz PKFRQNIRGOPTRC-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO COCCC[NH+]1CCC(N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC001172255720 769467454 /nfs/dbraw/zinc/46/74/54/769467454.db2.gz LPKICGYOFAOJFL-QGZVFWFLSA-N 1 3 311.470 0.894 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001152149318 769491142 /nfs/dbraw/zinc/49/11/42/769491142.db2.gz XDEJEQPOCONABI-ZIAGYGMSSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@H](NCCNC(=O)CCC[NH+]1CCCC1)C(=O)NC1CC1 ZINC001152237568 769514925 /nfs/dbraw/zinc/51/49/25/769514925.db2.gz PXLORWWDEWPZDZ-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001152433239 769555124 /nfs/dbraw/zinc/55/51/24/769555124.db2.gz YWHLECZFPFJBDX-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001152439312 769556745 /nfs/dbraw/zinc/55/67/45/769556745.db2.gz ICQOXDKIJJGOOG-UHFFFAOYSA-N 1 3 306.410 0.332 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001152464303 769567701 /nfs/dbraw/zinc/56/77/01/769567701.db2.gz JLMLKEIKBSHEPJ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001152464306 769568059 /nfs/dbraw/zinc/56/80/59/769568059.db2.gz JLMLKEIKBSHEPJ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCCN1CCN([C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173762843 769716506 /nfs/dbraw/zinc/71/65/06/769716506.db2.gz DNQCWGUWRWNJQB-CVEARBPZSA-N 1 3 321.473 0.726 20 0 DCADHO C[C@H](N)C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001235618690 769915220 /nfs/dbraw/zinc/91/52/20/769915220.db2.gz ZRPWNHMOQXCHET-QCEMKRCNSA-N 1 3 318.421 0.496 20 0 DCADHO C[C@H](N)C[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001235618690 769915222 /nfs/dbraw/zinc/91/52/22/769915222.db2.gz ZRPWNHMOQXCHET-QCEMKRCNSA-N 1 3 318.421 0.496 20 0 DCADHO C[C@H]([NH3+])CN1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001235630805 769917170 /nfs/dbraw/zinc/91/71/70/769917170.db2.gz UZNSICLHEXRAJG-USXIJHARSA-N 1 3 304.438 0.952 20 0 DCADHO c1nc(CNC2CCOCC2)c2n1CCCN(C[C@@H]1CC[NH2+]1)C2 ZINC001235653433 769926053 /nfs/dbraw/zinc/92/60/53/769926053.db2.gz PMPWORHKRGXWFT-HNNXBMFYSA-N 1 3 319.453 0.719 20 0 DCADHO COC(=O)[C@H](N)C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC001236064853 769978466 /nfs/dbraw/zinc/97/84/66/769978466.db2.gz BLTUZVOPDGSEJQ-CQSZACIVSA-N 1 3 324.450 0.501 20 0 DCADHO COC(=O)[C@H]1CN(C[C@@H]2[C@@H](C)CNCC2(F)F)CC[C@@H]1[NH3+] ZINC001236411689 770009086 /nfs/dbraw/zinc/00/90/86/770009086.db2.gz PHJYESNWQXJLOF-YFKTTZPYSA-N 1 3 305.369 0.299 20 0 DCADHO CCOC(=O)[C@H]1CN(Cc2ccncc2N)CCC12C[NH2+]C2 ZINC001237430914 770041522 /nfs/dbraw/zinc/04/15/22/770041522.db2.gz OFMDOXIKKSJOKT-CYBMUJFWSA-N 1 3 304.394 0.638 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(=O)NC ZINC001176284674 770062695 /nfs/dbraw/zinc/06/26/95/770062695.db2.gz IVQPJCPRIVJNGK-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001238228757 770107229 /nfs/dbraw/zinc/10/72/29/770107229.db2.gz OCWQXLJRFSVYED-ZDUSSCGKSA-N 1 3 309.435 0.839 20 0 DCADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001238228757 770107234 /nfs/dbraw/zinc/10/72/34/770107234.db2.gz OCWQXLJRFSVYED-ZDUSSCGKSA-N 1 3 309.435 0.839 20 0 DCADHO NCCS(=O)(=O)N[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001238545594 770118088 /nfs/dbraw/zinc/11/80/88/770118088.db2.gz WUOLBFPRSQBZLG-AWEZNQCLSA-N 1 3 309.435 0.631 20 0 DCADHO NCCS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001239068280 770172636 /nfs/dbraw/zinc/17/26/36/770172636.db2.gz BDHUMPIUDMWITB-HZPDHXFCSA-N 1 3 323.462 0.528 20 0 DCADHO CC[NH+](CC)CCCNC(=S)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239452904 770224064 /nfs/dbraw/zinc/22/40/64/770224064.db2.gz SIPUSDUSSAIXCT-RYUDHWBXSA-N 1 3 316.471 0.025 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001176972297 770265115 /nfs/dbraw/zinc/26/51/15/770265115.db2.gz VNJOHQJHSZANNI-UHFFFAOYSA-N 1 3 320.437 0.722 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986750 770273848 /nfs/dbraw/zinc/27/38/48/770273848.db2.gz VDSYLMWYTPSHSO-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001176992718 770282812 /nfs/dbraw/zinc/28/28/12/770282812.db2.gz YQFVCQXWNKSPCK-AWEZNQCLSA-N 1 3 308.430 0.248 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCc1ccco1 ZINC001155789233 770616991 /nfs/dbraw/zinc/61/69/91/770616991.db2.gz CJNZYEBNEBLWTJ-CQSZACIVSA-N 1 3 322.409 0.086 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCCCC1 ZINC001155791026 770619225 /nfs/dbraw/zinc/61/92/25/770619225.db2.gz QXHRVDXAMVOCPD-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791790 770621173 /nfs/dbraw/zinc/62/11/73/770621173.db2.gz YKWHMPOULGWMKL-ZDUSSCGKSA-N 1 3 308.430 0.297 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001178815361 770884379 /nfs/dbraw/zinc/88/43/79/770884379.db2.gz ALOHVHDVDADLQW-QWHCGFSZSA-N 1 3 300.447 0.467 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968335 771048631 /nfs/dbraw/zinc/04/86/31/771048631.db2.gz QEFMMDYDFUDTAG-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001180124437 771066364 /nfs/dbraw/zinc/06/63/64/771066364.db2.gz WJLXJXXTEYKLRB-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204478 771073928 /nfs/dbraw/zinc/07/39/28/771073928.db2.gz UGFALTPKZVGSMV-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](C)N2CCCC2)CC1 ZINC001180584631 771144285 /nfs/dbraw/zinc/14/42/85/771144285.db2.gz HQVOSSUSXLPRHE-CYBMUJFWSA-N 1 3 311.426 0.744 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182461772 771494316 /nfs/dbraw/zinc/49/43/16/771494316.db2.gz ODVFLWPOBNUUMF-ZDUSSCGKSA-N 1 3 323.441 0.309 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229023 771622314 /nfs/dbraw/zinc/62/23/14/771622314.db2.gz AQJBZUHMDFKQKS-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)NC1CC1 ZINC001183289043 771632901 /nfs/dbraw/zinc/63/29/01/771632901.db2.gz QFKVUBNFHKFDSI-TZMCWYRMSA-N 1 3 322.453 0.328 20 0 DCADHO CN1CC[NH2+]C[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157590324 771637811 /nfs/dbraw/zinc/63/78/11/771637811.db2.gz FKHSEXBQDBTCAS-INIZCTEOSA-N 1 3 308.470 0.615 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436750 771649921 /nfs/dbraw/zinc/64/99/21/771649921.db2.gz QIEQEFGDUBAKNC-HIFRSBDPSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1)N(C)C ZINC001183581261 771670757 /nfs/dbraw/zinc/67/07/57/771670757.db2.gz HAWAWOHOOMSTOV-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183590254 771672031 /nfs/dbraw/zinc/67/20/31/771672031.db2.gz AOIUNLVEXBRRAE-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2cc3c(cc2C1)OCO3 ZINC001157984258 771707423 /nfs/dbraw/zinc/70/74/23/771707423.db2.gz ZIRCEAADSBFCOR-ZDUSSCGKSA-N 1 3 305.378 0.756 20 0 DCADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001158014514 771712568 /nfs/dbraw/zinc/71/25/68/771712568.db2.gz MNQNGKDNFZDBHJ-SRVKXCTJSA-N 1 3 303.378 0.158 20 0 DCADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1CNCc3ccnn3C1)CC2 ZINC001158081630 771723675 /nfs/dbraw/zinc/72/36/75/771723675.db2.gz DYSYGLJZBPNXMG-LBPRGKRZSA-N 1 3 303.410 0.332 20 0 DCADHO O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161271 771731855 /nfs/dbraw/zinc/73/18/55/771731855.db2.gz ORZRMXDOXNFAGB-PVAVHDDUSA-N 1 3 307.438 0.890 20 0 DCADHO C[C@H](NCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnccn1 ZINC001158196834 771739186 /nfs/dbraw/zinc/73/91/86/771739186.db2.gz ORRNYKNBGVSOIC-DZGCQCFKSA-N 1 3 317.437 0.975 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1 ZINC001158420863 771772279 /nfs/dbraw/zinc/77/22/79/771772279.db2.gz NRJAQYJGUNMZKA-TZMCWYRMSA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1 ZINC001158420863 771772283 /nfs/dbraw/zinc/77/22/83/771772283.db2.gz NRJAQYJGUNMZKA-TZMCWYRMSA-N 1 3 321.425 0.421 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC001158505663 771784090 /nfs/dbraw/zinc/78/40/90/771784090.db2.gz FGRVZPKZDWLMTG-ZFWWWQNUSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC001158505663 771784093 /nfs/dbraw/zinc/78/40/93/771784093.db2.gz FGRVZPKZDWLMTG-ZFWWWQNUSA-N 1 3 322.409 0.442 20 0 DCADHO COCCN1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001158603616 771794160 /nfs/dbraw/zinc/79/41/60/771794160.db2.gz HKCBPEHNQHIUFQ-HNNXBMFYSA-N 1 3 314.474 0.273 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCCCC1 ZINC001184584759 771802021 /nfs/dbraw/zinc/80/20/21/771802021.db2.gz IUDHQQLWRLWBAN-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001184859201 771838770 /nfs/dbraw/zinc/83/87/70/771838770.db2.gz YKCQJYFHTADHAM-GRYCIOLGSA-N 1 3 323.359 0.584 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CCOCCO ZINC001185207220 771878617 /nfs/dbraw/zinc/87/86/17/771878617.db2.gz WWGUCUWRVVAVDL-ZIAGYGMSSA-N 1 3 324.425 0.035 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CCOCCO ZINC001185207219 771879066 /nfs/dbraw/zinc/87/90/66/771879066.db2.gz WWGUCUWRVVAVDL-UONOGXRCSA-N 1 3 324.425 0.035 20 0 DCADHO CN(C(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C1CC1 ZINC001185212746 771879756 /nfs/dbraw/zinc/87/97/56/771879756.db2.gz AWRPKILBOKPQLW-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159226433 771879951 /nfs/dbraw/zinc/87/99/51/771879951.db2.gz ZPDFCJOMDUXTAI-IHRRRGAJSA-N 1 3 308.426 0.055 20 0 DCADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001159300275 771893242 /nfs/dbraw/zinc/89/32/42/771893242.db2.gz YXWIHOXIAWDQLU-UHFFFAOYSA-N 1 3 302.382 0.645 20 0 DCADHO CC(C)N1CC[C@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265977 771895329 /nfs/dbraw/zinc/89/53/29/771895329.db2.gz VTHHLYXSIKURPN-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400544 771911339 /nfs/dbraw/zinc/91/13/39/771911339.db2.gz BWWCOBIJOYAXHJ-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CCCC1 ZINC001185401891 771911826 /nfs/dbraw/zinc/91/18/26/771911826.db2.gz YFUHMMFSVGNRAW-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO COc1cc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)ccn1 ZINC001185408226 771916252 /nfs/dbraw/zinc/91/62/52/771916252.db2.gz OTQQROCMNXGXLY-CQSZACIVSA-N 1 3 306.410 0.732 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1)N(C)C ZINC001185716101 771948416 /nfs/dbraw/zinc/94/84/16/771948416.db2.gz PLORZUWVYYQREH-NEPJUHHUSA-N 1 3 307.385 0.799 20 0 DCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@H]21 ZINC001159783245 771957363 /nfs/dbraw/zinc/95/73/63/771957363.db2.gz UWODSTNYODDCOR-QLFBSQMISA-N 1 3 324.469 0.548 20 0 DCADHO N[C@H](CCC[NH3+])NC(F)(F)c1nc(Cl)nc2[nH]cnc21 ZINC001159787161 771958302 /nfs/dbraw/zinc/95/83/02/771958302.db2.gz SHMMVWBNGRZZPS-YFKPBYRVSA-N 1 3 305.720 0.621 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001159862121 771969785 /nfs/dbraw/zinc/96/97/85/771969785.db2.gz VQJVMYUSOUCCEY-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC001159915778 771976856 /nfs/dbraw/zinc/97/68/56/771976856.db2.gz NTZZIVQLWGKBQB-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](O)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360866 772028609 /nfs/dbraw/zinc/02/86/09/772028609.db2.gz XQSKLCUTGLZVRZ-XJKSGUPXSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360866 772028616 /nfs/dbraw/zinc/02/86/16/772028616.db2.gz XQSKLCUTGLZVRZ-XJKSGUPXSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@H](O)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360861 772029003 /nfs/dbraw/zinc/02/90/03/772029003.db2.gz XQSKLCUTGLZVRZ-BBRMVZONSA-N 1 3 309.454 0.846 20 0 DCADHO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360861 772029005 /nfs/dbraw/zinc/02/90/05/772029005.db2.gz XQSKLCUTGLZVRZ-BBRMVZONSA-N 1 3 309.454 0.846 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426403 772035958 /nfs/dbraw/zinc/03/59/58/772035958.db2.gz FERFBJCBGWODOU-AWEZNQCLSA-N 1 3 300.447 0.195 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)C2CC2)C1 ZINC001186497144 772047704 /nfs/dbraw/zinc/04/77/04/772047704.db2.gz YUERULCQAFVZSN-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160490252 772049233 /nfs/dbraw/zinc/04/92/33/772049233.db2.gz JWPTXYFAEAADOL-INIZCTEOSA-N 1 3 319.453 0.225 20 0 DCADHO COc1ccc(CN(C)C(=O)[C@@H](N)C2CC[NH2+]CC2)c(OC)c1 ZINC001160676263 772092596 /nfs/dbraw/zinc/09/25/96/772092596.db2.gz QVGQXHQENMHZTJ-INIZCTEOSA-N 1 3 321.421 0.989 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824713 772097461 /nfs/dbraw/zinc/09/74/61/772097461.db2.gz HFGBMTBUEVYSKR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824713 772097467 /nfs/dbraw/zinc/09/74/67/772097467.db2.gz HFGBMTBUEVYSKR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2nc(C3CC3)ncc2C1 ZINC001160835463 772118851 /nfs/dbraw/zinc/11/88/51/772118851.db2.gz YIOKYCUADVUQQK-CYBMUJFWSA-N 1 3 313.405 0.048 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106940 772131288 /nfs/dbraw/zinc/13/12/88/772131288.db2.gz RKBKQNVBCSMTRW-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106940 772131290 /nfs/dbraw/zinc/13/12/90/772131290.db2.gz RKBKQNVBCSMTRW-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001187106489 772131843 /nfs/dbraw/zinc/13/18/43/772131843.db2.gz IDSHITHLTFJHKI-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001187106489 772131846 /nfs/dbraw/zinc/13/18/46/772131846.db2.gz IDSHITHLTFJHKI-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1nc(C)no1)N(C)C ZINC001160883867 772132470 /nfs/dbraw/zinc/13/24/70/772132470.db2.gz XALAIUIXRDVPMS-CYBMUJFWSA-N 1 3 311.430 0.747 20 0 DCADHO CC(C)(C)C(=O)N1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160948333 772141376 /nfs/dbraw/zinc/14/13/76/772141376.db2.gz LUNDMHNDNSCOCF-ZDUSSCGKSA-N 1 3 310.442 0.030 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161011159 772149370 /nfs/dbraw/zinc/14/93/70/772149370.db2.gz RHOSKWJKJJGVIT-CYBMUJFWSA-N 1 3 318.377 0.136 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001187221409 772156514 /nfs/dbraw/zinc/15/65/14/772156514.db2.gz YVORVSCVAGLBOQ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161066595 772161093 /nfs/dbraw/zinc/16/10/93/772161093.db2.gz BNBHPFLHHGVVRA-LBPRGKRZSA-N 1 3 313.442 0.907 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC001187290931 772161208 /nfs/dbraw/zinc/16/12/08/772161208.db2.gz DAZXEIAXOZVHJI-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001161083762 772163902 /nfs/dbraw/zinc/16/39/02/772163902.db2.gz CAQDKENOMONAHJ-QLFBSQMISA-N 1 3 310.442 0.173 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161251535 772191238 /nfs/dbraw/zinc/19/12/38/772191238.db2.gz RRTAWZKQJNNLPY-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO COc1cc(O[C@@H]2CCN(C(=O)[C@@H](N)CCC[NH3+])C2)ccn1 ZINC001161394499 772216525 /nfs/dbraw/zinc/21/65/25/772216525.db2.gz NCHZGIUPNSUWTL-OLZOCXBDSA-N 1 3 308.382 0.136 20 0 DCADHO Cc1cccnc1O[C@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161394539 772216645 /nfs/dbraw/zinc/21/66/45/772216645.db2.gz NUYFCHLLHDABQE-GJZGRUSLSA-N 1 3 318.421 0.697 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001161470784 772228641 /nfs/dbraw/zinc/22/86/41/772228641.db2.gz KFLICUCTEKQRPC-VXGBXAGGSA-N 1 3 304.385 0.385 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834777 772231504 /nfs/dbraw/zinc/23/15/04/772231504.db2.gz HLAWXVYBFRVANB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001188113084 772267828 /nfs/dbraw/zinc/26/78/28/772267828.db2.gz VLHKDUAFFZZJBL-SOUVJXGZSA-N 1 3 315.433 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001188113084 772267830 /nfs/dbraw/zinc/26/78/30/772267830.db2.gz VLHKDUAFFZZJBL-SOUVJXGZSA-N 1 3 315.433 0.581 20 0 DCADHO C[C@@H](CN1CC[NH2+]CC1)Nc1ccc2c(c1)COC21CNC1 ZINC001162098306 772326055 /nfs/dbraw/zinc/32/60/55/772326055.db2.gz PGNLXVIDWWYHPR-ZDUSSCGKSA-N 1 3 302.422 0.721 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc2c(n1)CNCC2 ZINC001162724564 772411328 /nfs/dbraw/zinc/41/13/28/772411328.db2.gz FEYXTCIQOWDEGU-AWEZNQCLSA-N 1 3 321.425 0.665 20 0 DCADHO CC1CC(C[NH2+]CCCNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001162871947 772427211 /nfs/dbraw/zinc/42/72/11/772427211.db2.gz BOJPLGDYMZHHGQ-QFQXCOSMSA-N 1 3 321.465 0.992 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCC(F)F)C1 ZINC001189391000 772464019 /nfs/dbraw/zinc/46/40/19/772464019.db2.gz VGHVOVBWHDTYII-OLZOCXBDSA-N 1 3 319.396 0.895 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCC(F)F)C1 ZINC001189391000 772464024 /nfs/dbraw/zinc/46/40/24/772464024.db2.gz VGHVOVBWHDTYII-OLZOCXBDSA-N 1 3 319.396 0.895 20 0 DCADHO O=c1[nH]cc2[nH]c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)ccc1-2 ZINC001163272298 772497124 /nfs/dbraw/zinc/49/71/24/772497124.db2.gz VDOJHUZNFWRXBO-MEDUHNTESA-N 1 3 302.378 0.896 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001163819925 772577235 /nfs/dbraw/zinc/57/72/35/772577235.db2.gz CDPWILLZXJRHKM-AWEZNQCLSA-N 1 3 322.453 0.235 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163820141 772577298 /nfs/dbraw/zinc/57/72/98/772577298.db2.gz CHFFXAAHRZNYCP-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163821124 772577355 /nfs/dbraw/zinc/57/73/55/772577355.db2.gz KWQWHUSUZJYZRM-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cnc(CNCCCNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001165263642 772713181 /nfs/dbraw/zinc/71/31/81/772713181.db2.gz RSAYIIHJWUZATE-UHFFFAOYSA-N 1 3 305.426 0.723 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC)CC1)N(C)C ZINC001165718753 772757689 /nfs/dbraw/zinc/75/76/89/772757689.db2.gz QOOZTFYPWLCIMW-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001165727550 772758230 /nfs/dbraw/zinc/75/82/30/772758230.db2.gz CWLWMDWQNAUBEU-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010597 772778814 /nfs/dbraw/zinc/77/88/14/772778814.db2.gz PKPHJCHHNUQFIG-CQSZACIVSA-N 1 3 303.447 0.332 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(N)=O ZINC001166627006 772830357 /nfs/dbraw/zinc/83/03/57/772830357.db2.gz NYWGMMDPYFGGOL-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627473 772831175 /nfs/dbraw/zinc/83/11/75/772831175.db2.gz WEJJWDTUPTVXHT-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627238 772831229 /nfs/dbraw/zinc/83/12/29/772831229.db2.gz SYDCMXIBKZRDHS-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677337 772838077 /nfs/dbraw/zinc/83/80/77/772838077.db2.gz HTHONWPXPOQGCC-CQSZACIVSA-N 1 3 301.431 0.087 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001166678897 772840079 /nfs/dbraw/zinc/84/00/79/772840079.db2.gz YPKKYJUVRFPNGC-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001166678897 772840080 /nfs/dbraw/zinc/84/00/80/772840080.db2.gz YPKKYJUVRFPNGC-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)nn1C ZINC001166709447 772846563 /nfs/dbraw/zinc/84/65/63/772846563.db2.gz ZVGNYLASWMCLOM-SWLSCSKDSA-N 1 3 307.442 0.522 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)nn1C ZINC001166709447 772846565 /nfs/dbraw/zinc/84/65/65/772846565.db2.gz ZVGNYLASWMCLOM-SWLSCSKDSA-N 1 3 307.442 0.522 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)N(C)C)CC(C)(C)C ZINC001166744286 772855861 /nfs/dbraw/zinc/85/58/61/772855861.db2.gz OVDGGFJKMNBWLX-UHFFFAOYSA-N 1 3 300.447 0.148 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045521 772862952 /nfs/dbraw/zinc/86/29/52/772862952.db2.gz FHFDLBKLJDBHTN-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(C)C)N(C)C ZINC001166852332 772870760 /nfs/dbraw/zinc/87/07/60/772870760.db2.gz PPJZUXZBQZQUQU-CABCVRRESA-N 1 3 317.474 0.456 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166852567 772871142 /nfs/dbraw/zinc/87/11/42/772871142.db2.gz SZCFGGHAVMZFLK-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192189509 772882567 /nfs/dbraw/zinc/88/25/67/772882567.db2.gz FNQVBTLSRUEXIZ-RBSFLKMASA-N 1 3 315.458 0.113 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192189509 772882569 /nfs/dbraw/zinc/88/25/69/772882569.db2.gz FNQVBTLSRUEXIZ-RBSFLKMASA-N 1 3 315.458 0.113 20 0 DCADHO C[C@@H]1NC=C2C(=O)OCCC2=C1CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662964 773005248 /nfs/dbraw/zinc/00/52/48/773005248.db2.gz GGLVYJHDDFUDAA-YVEFUNNKSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001205662964 773005251 /nfs/dbraw/zinc/00/52/51/773005251.db2.gz GGLVYJHDDFUDAA-YVEFUNNKSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001205662964 773005255 /nfs/dbraw/zinc/00/52/55/773005255.db2.gz GGLVYJHDDFUDAA-YVEFUNNKSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@H]1NC=C2C(=O)OCCC2=C1CN1CCCC[C@](O)(C[NH3+])C1 ZINC001205662961 773005380 /nfs/dbraw/zinc/00/53/80/773005380.db2.gz GGLVYJHDDFUDAA-PXAZEXFGSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001205662961 773005382 /nfs/dbraw/zinc/00/53/82/773005382.db2.gz GGLVYJHDDFUDAA-PXAZEXFGSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001205662961 773005387 /nfs/dbraw/zinc/00/53/87/773005387.db2.gz GGLVYJHDDFUDAA-PXAZEXFGSA-N 1 3 321.421 0.281 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193102658 773005890 /nfs/dbraw/zinc/00/58/90/773005890.db2.gz MNALTMRLUQRHNT-KLHDSHLOSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193102658 773005893 /nfs/dbraw/zinc/00/58/93/773005893.db2.gz MNALTMRLUQRHNT-KLHDSHLOSA-N 1 3 311.470 0.924 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001206307506 773065255 /nfs/dbraw/zinc/06/52/55/773065255.db2.gz JCPSJSTZXQXZBH-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cncc(N(C)C)c1 ZINC001193817000 773115492 /nfs/dbraw/zinc/11/54/92/773115492.db2.gz CWFAYPLQABFNOO-UHFFFAOYSA-N 1 3 306.414 0.825 20 0 DCADHO CCOc1c(C(=O)N(CC[NH+](CC)CC)C(=N)N)cnn1C ZINC001194382665 773184114 /nfs/dbraw/zinc/18/41/14/773184114.db2.gz WTNPRQDAFGZETP-UHFFFAOYSA-N 1 3 310.402 0.496 20 0 DCADHO CC[N@@H+]1CCO[C@@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2C1 ZINC001207303572 773191768 /nfs/dbraw/zinc/19/17/68/773191768.db2.gz KZOUHWGPZKQOMY-JKSUJKDBSA-N 1 3 311.470 0.750 20 0 DCADHO CC[N@H+]1CCO[C@@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2C1 ZINC001207303572 773191772 /nfs/dbraw/zinc/19/17/72/773191772.db2.gz KZOUHWGPZKQOMY-JKSUJKDBSA-N 1 3 311.470 0.750 20 0 DCADHO C[NH+]1CCC(CN2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)CC1 ZINC001207396684 773198738 /nfs/dbraw/zinc/19/87/38/773198738.db2.gz QCYQQXZHWVNIOS-CVEARBPZSA-N 1 3 317.437 0.708 20 0 DCADHO COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207649786 773256391 /nfs/dbraw/zinc/25/63/91/773256391.db2.gz HBUIJDHBKGKEAH-BARDWOONSA-N 1 3 315.458 0.016 20 0 DCADHO COC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207649786 773256398 /nfs/dbraw/zinc/25/63/98/773256398.db2.gz HBUIJDHBKGKEAH-BARDWOONSA-N 1 3 315.458 0.016 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCCN2CCNC2=S)CC1 ZINC001207869814 773323976 /nfs/dbraw/zinc/32/39/76/773323976.db2.gz WLZMYVVFYYWVGA-UHFFFAOYSA-N 1 3 300.472 0.001 20 0 DCADHO CN1CCN(C[C@H]2Cn3ccnc3CN(CC[NH+](C)C)C2)CC1 ZINC001208125544 773403857 /nfs/dbraw/zinc/40/38/57/773403857.db2.gz DRDNWYLWRIGYSV-MRXNPFEDSA-N 1 3 320.485 0.124 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331261 773435849 /nfs/dbraw/zinc/43/58/49/773435849.db2.gz OUKPZBWZTVZJSY-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331261 773435852 /nfs/dbraw/zinc/43/58/52/773435852.db2.gz OUKPZBWZTVZJSY-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208359074 773442536 /nfs/dbraw/zinc/44/25/36/773442536.db2.gz PSJRPDLKNMOSPR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208359074 773442541 /nfs/dbraw/zinc/44/25/41/773442541.db2.gz PSJRPDLKNMOSPR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208359369 773442863 /nfs/dbraw/zinc/44/28/63/773442863.db2.gz SUXAVFFVSLRPGD-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208359369 773442868 /nfs/dbraw/zinc/44/28/68/773442868.db2.gz SUXAVFFVSLRPGD-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208484882 773474624 /nfs/dbraw/zinc/47/46/24/773474624.db2.gz BSSJBNMBBGZXOU-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COCOCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209026892 773553358 /nfs/dbraw/zinc/55/33/58/773553358.db2.gz OOBWYRYUFUUQFS-PMPSAXMXSA-N 1 3 323.441 0.683 20 0 DCADHO COCOCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001209026892 773553360 /nfs/dbraw/zinc/55/33/60/773553360.db2.gz OOBWYRYUFUUQFS-PMPSAXMXSA-N 1 3 323.441 0.683 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001209315203 773590054 /nfs/dbraw/zinc/59/00/54/773590054.db2.gz ORWVWUUUCCMZFN-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001209323927 773592075 /nfs/dbraw/zinc/59/20/75/773592075.db2.gz NKAHSKPJZLHSQY-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001209446755 773605883 /nfs/dbraw/zinc/60/58/83/773605883.db2.gz UVGNFVKRIAAGGJ-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCCC2)C1 ZINC001209447047 773606125 /nfs/dbraw/zinc/60/61/25/773606125.db2.gz WJMLFUCTKWNHIA-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001209642891 773629651 /nfs/dbraw/zinc/62/96/51/773629651.db2.gz PZFTVZJSTMZNCD-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643697 773629723 /nfs/dbraw/zinc/62/97/23/773629723.db2.gz VMGNXQSVAKJSIF-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001210221294 773686938 /nfs/dbraw/zinc/68/69/38/773686938.db2.gz ZFTRNIKQTGKYNJ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001210788963 773739383 /nfs/dbraw/zinc/73/93/83/773739383.db2.gz KRGVUWMMYFWKRX-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001197535755 773759481 /nfs/dbraw/zinc/75/94/81/773759481.db2.gz COFLYPBJGGHVSX-ZIAGYGMSSA-N 1 3 303.422 0.629 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001197535755 773759482 /nfs/dbraw/zinc/75/94/82/773759482.db2.gz COFLYPBJGGHVSX-ZIAGYGMSSA-N 1 3 303.422 0.629 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001211064661 773764887 /nfs/dbraw/zinc/76/48/87/773764887.db2.gz PHGIGLNTRVOFAS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001211064661 773764890 /nfs/dbraw/zinc/76/48/90/773764890.db2.gz PHGIGLNTRVOFAS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001211284329 773790259 /nfs/dbraw/zinc/79/02/59/773790259.db2.gz LDOOZHVAZQQINS-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](O)CCCN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833226 773804428 /nfs/dbraw/zinc/80/44/28/773804428.db2.gz VHZHTHSBQUAMQA-HNNXBMFYSA-N 1 3 315.458 0.260 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445266 773906065 /nfs/dbraw/zinc/90/60/65/773906065.db2.gz GEEMWSLNJZNTGZ-CYBMUJFWSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446424 773915835 /nfs/dbraw/zinc/91/58/35/773915835.db2.gz YMKCZSPOCBEQCM-CQSZACIVSA-N 1 3 314.474 0.583 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001152458964 773935707 /nfs/dbraw/zinc/93/57/07/773935707.db2.gz VDGKEOROVGQIEX-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847794 774018691 /nfs/dbraw/zinc/01/86/91/774018691.db2.gz SRSKYNDIKJUTOC-JHJVBQTASA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001215397404 774069778 /nfs/dbraw/zinc/06/97/78/774069778.db2.gz YUTZVBCIFWQNIS-CBBWQLFWSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001215397404 774069783 /nfs/dbraw/zinc/06/97/83/774069783.db2.gz YUTZVBCIFWQNIS-CBBWQLFWSA-N 1 3 324.469 0.241 20 0 DCADHO CCN(C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001215458793 774074487 /nfs/dbraw/zinc/07/44/87/774074487.db2.gz LBXYMHAIRBBUEU-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001215476185 774075887 /nfs/dbraw/zinc/07/58/87/774075887.db2.gz CRWWWIGYXQOXTI-XNRPHZJLSA-N 1 3 324.469 0.288 20 0 DCADHO CCCC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001199787860 774198316 /nfs/dbraw/zinc/19/83/16/774198316.db2.gz FWSWPNHKRRHNOP-HUUCEWRRSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199787713 774198506 /nfs/dbraw/zinc/19/85/06/774198506.db2.gz CSBLKPFJELYMNG-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)N(C)C ZINC001199788719 774199318 /nfs/dbraw/zinc/19/93/18/774199318.db2.gz YFRIWGVSCVPLDP-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N(C)C ZINC001199788721 774199368 /nfs/dbraw/zinc/19/93/68/774199368.db2.gz YFRIWGVSCVPLDP-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)CC[NH2+]1 ZINC001218052225 774211359 /nfs/dbraw/zinc/21/13/59/774211359.db2.gz KBUSHHQMYKOUGU-XBFCOCLRSA-N 1 3 321.421 0.870 20 0 DCADHO [NH3+]C1CCN(Cc2ccc(OC[C@H]3CNCCO3)cc2)CC1 ZINC001218176427 774214841 /nfs/dbraw/zinc/21/48/41/774214841.db2.gz HNLCDMQQNYTYEV-QGZVFWFLSA-N 1 3 305.422 0.977 20 0 DCADHO Cc1cc2ncc(C)c(NC(=O)[C@@H](N)C3CC[NH2+]CC3)n2n1 ZINC001218526602 774237795 /nfs/dbraw/zinc/23/77/95/774237795.db2.gz ZPEKLQMAPOSPBB-ZDUSSCGKSA-N 1 3 302.382 0.612 20 0 DCADHO N[C@@H](C(=O)Nc1cnn2ccc(Cl)nc12)C1CC[NH2+]CC1 ZINC001218615544 774263772 /nfs/dbraw/zinc/26/37/72/774263772.db2.gz DLVAQWFDVSJBMX-LLVKDONJSA-N 1 3 308.773 0.648 20 0 DCADHO COc1ccc(Br)nc1NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001218617342 774265112 /nfs/dbraw/zinc/26/51/12/774265112.db2.gz FCMNEJYJPXTHDQ-BQBZGAKWSA-N 1 3 315.171 0.480 20 0 DCADHO CCOC(=O)c1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cnc1C ZINC001218637028 774269213 /nfs/dbraw/zinc/26/92/13/774269213.db2.gz NZRUSAPCVOXSJD-AWEZNQCLSA-N 1 3 320.393 0.832 20 0 DCADHO CO[C@@H]1CCN[C@@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218731683 774291241 /nfs/dbraw/zinc/29/12/41/774291241.db2.gz RNEZTYYPZQOCJS-MGPQQGTHSA-N 1 3 320.393 0.528 20 0 DCADHO N[C@@H](C(=O)Nc1nc(Cl)cc2nc[nH]c21)C1CC[NH2+]CC1 ZINC001218745665 774295140 /nfs/dbraw/zinc/29/51/40/774295140.db2.gz NFVNTFDGVULQPQ-SNVBAGLBSA-N 1 3 308.773 0.877 20 0 DCADHO CC1(C)COc2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)nn2C1 ZINC001218746748 774295263 /nfs/dbraw/zinc/29/52/63/774295263.db2.gz OOGIQKVFCKUMHZ-SNVBAGLBSA-N 1 3 305.382 0.049 20 0 DCADHO O=C(Nc1cncnc1C(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001218765142 774299768 /nfs/dbraw/zinc/29/97/68/774299768.db2.gz XHOJHLMGIOZZFK-ZETCQYMHSA-N 1 3 301.272 0.243 20 0 DCADHO COC(=O)c1cc(OC)ccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218818192 774310747 /nfs/dbraw/zinc/31/07/47/774310747.db2.gz QTPANTXRMKBNDW-LBPRGKRZSA-N 1 3 319.361 0.229 20 0 DCADHO [NH3+]CCOCCOCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219027880 774350283 /nfs/dbraw/zinc/35/02/83/774350283.db2.gz GNKQKUVKZPDAOU-UHFFFAOYSA-N 1 3 309.366 0.099 20 0 DCADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCCF)CC1 ZINC001200657906 774392242 /nfs/dbraw/zinc/39/22/42/774392242.db2.gz FCCOKJUAIQWBSW-LSDHHAIUSA-N 1 3 313.417 0.790 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1)C1CCC1 ZINC001201067132 774441704 /nfs/dbraw/zinc/44/17/04/774441704.db2.gz XJABSIVZPVDNHB-UHFFFAOYSA-N 1 3 322.453 0.330 20 0 DCADHO O=C(Nc1cccc2c1NC(=O)NC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219335336 774452772 /nfs/dbraw/zinc/45/27/72/774452772.db2.gz XHUAJNXKTTYZJP-JTQLQIEISA-N 1 3 301.350 0.069 20 0 DCADHO CN1c2ccc(NC(=O)[C@H]3C[NH2+]CC34CNC4)cc2CNC1=O ZINC001219334939 774453424 /nfs/dbraw/zinc/45/34/24/774453424.db2.gz QKVGMNYYNJOLNY-GFCCVEGCSA-N 1 3 315.377 0.094 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201149953 774454665 /nfs/dbraw/zinc/45/46/65/774454665.db2.gz QKPLUGUPDLVSSU-JSGCOSHPSA-N 1 3 312.458 0.288 20 0 DCADHO COC(=O)c1cc(NC(=O)[C@@H](N)CCCC[NH3+])cc2n[nH]cc21 ZINC001219338741 774455058 /nfs/dbraw/zinc/45/50/58/774455058.db2.gz NRSUIWLSIMJPPA-LBPRGKRZSA-N 1 3 319.365 0.744 20 0 DCADHO COC(=O)[C@@H]1CCc2cc(NC(=O)[C@H](N)CCC[NH3+])ccc21 ZINC001219425463 774486343 /nfs/dbraw/zinc/48/63/43/774486343.db2.gz MHWGOLCBKRYOTE-ZIAGYGMSSA-N 1 3 305.378 0.894 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCCF)C2)C1 ZINC001201402775 774501642 /nfs/dbraw/zinc/50/16/42/774501642.db2.gz GCHDZWXMJSCGSW-GJZGRUSLSA-N 1 3 315.433 0.895 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001201700699 774540928 /nfs/dbraw/zinc/54/09/28/774540928.db2.gz ABWSXNGYSZCEOR-GNHJJJEISA-N 1 3 323.437 0.077 20 0 DCADHO O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001219609743 774555700 /nfs/dbraw/zinc/55/57/00/774555700.db2.gz CTGNPYVHDKUYDD-RAIGVLPGSA-N 1 3 321.343 0.556 20 0 DCADHO CCCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643203 774570454 /nfs/dbraw/zinc/57/04/54/774570454.db2.gz JYYQGCFLZNKLNA-OAGGEKHMSA-N 1 3 309.454 0.680 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219644997 774571071 /nfs/dbraw/zinc/57/10/71/774571071.db2.gz HJUDKAPVRJYHIQ-XUXIUFHCSA-N 1 3 312.458 0.226 20 0 DCADHO Cn1c(CNC(=O)[C@H]2C[NH2+]CC23CNC3)ccc1C(F)(F)F ZINC001219698629 774583026 /nfs/dbraw/zinc/58/30/26/774583026.db2.gz DXXXHLIFDONCFS-SNVBAGLBSA-N 1 3 316.327 0.469 20 0 DCADHO C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])c1nc2ccccc2[nH]1 ZINC001219701838 774584271 /nfs/dbraw/zinc/58/42/71/774584271.db2.gz RNIPJELGVPXZFW-UWVGGRQHSA-N 1 3 307.423 0.759 20 0 DCADHO C[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cnc2ccccn21 ZINC001219703416 774585590 /nfs/dbraw/zinc/58/55/90/774585590.db2.gz JGCYWAQWRSGESB-MNOVXSKESA-N 1 3 307.423 0.531 20 0 DCADHO Cc1ccn2c(CNC(=O)[C@H](N)C3CC[NH2+]CC3)cnc2c1 ZINC001219709379 774587695 /nfs/dbraw/zinc/58/76/95/774587695.db2.gz DTKZFGVANFWYIC-OAHLLOKOSA-N 1 3 301.394 0.586 20 0 DCADHO Cc1ccc(CSC[C@H](N)C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714648 774588671 /nfs/dbraw/zinc/58/86/71/774588671.db2.gz RSIYXLHQMQNECB-BFHYXJOUSA-N 1 3 309.435 0.004 20 0 DCADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1csc([C@H]2CCCN2)n1 ZINC001219739560 774594988 /nfs/dbraw/zinc/59/49/88/774594988.db2.gz RFYAEGBCNMGYMD-WDEREUQCSA-N 1 3 322.434 0.676 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1Cc2ccccc2CN1 ZINC001219765353 774600573 /nfs/dbraw/zinc/60/05/73/774600573.db2.gz ZXJHUFRNKXXOTC-COXVUDFISA-N 1 3 314.433 0.111 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1Cc2ccccc2CN1 ZINC001219765353 774600577 /nfs/dbraw/zinc/60/05/77/774600577.db2.gz ZXJHUFRNKXXOTC-COXVUDFISA-N 1 3 314.433 0.111 20 0 DCADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1Cc2ccccc2CN1 ZINC001219765353 774600582 /nfs/dbraw/zinc/60/05/82/774600582.db2.gz ZXJHUFRNKXXOTC-COXVUDFISA-N 1 3 314.433 0.111 20 0 DCADHO N[C@H](C(=O)NC1CCN(C2CC[NH2+]CC2)CC1)c1cccnc1 ZINC001219794322 774610578 /nfs/dbraw/zinc/61/05/78/774610578.db2.gz XBDZIWVXMNMUFP-INIZCTEOSA-N 1 3 317.437 0.414 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816233 774618610 /nfs/dbraw/zinc/61/86/10/774618610.db2.gz FLELYZINBSLBSI-GUTXKFCHSA-N 1 3 305.378 0.486 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC001202330254 774637077 /nfs/dbraw/zinc/63/70/77/774637077.db2.gz FFVDHEPSEOQIEP-UHFFFAOYSA-N 1 3 319.453 0.862 20 0 DCADHO CN[C@H](C(=O)NCc1cccnc1C1CC[NH2+]CC1)[C@@H](C)O ZINC001219931653 774649436 /nfs/dbraw/zinc/64/94/36/774649436.db2.gz WKBLTGNBWOZAJW-RISCZKNCSA-N 1 3 306.410 0.134 20 0 DCADHO N[C@H](C(=O)NCc1cccc(-n2cccn2)c1)C1CC[NH2+]CC1 ZINC001220011355 774669114 /nfs/dbraw/zinc/66/91/14/774669114.db2.gz UYSCMCPQBBSDIS-INIZCTEOSA-N 1 3 313.405 0.815 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cccc(-n2cccn2)c1 ZINC001220011054 774669306 /nfs/dbraw/zinc/66/93/06/774669306.db2.gz PWVLGVLZUJGMBS-HNNXBMFYSA-N 1 3 301.394 0.945 20 0 DCADHO C[NH2+]CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C ZINC001220052769 774681507 /nfs/dbraw/zinc/68/15/07/774681507.db2.gz AXZSFHYXNOMTSU-STQMWFEESA-N 1 3 300.447 0.226 20 0 DCADHO C[NH2+]CCNC(=O)[C@@H](N)Cc1cc(=O)oc2cc(OC)ccc12 ZINC001220056153 774682656 /nfs/dbraw/zinc/68/26/56/774682656.db2.gz PGSYGGMALCVFPK-ZDUSSCGKSA-N 1 3 319.361 0.007 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(=O)N(C)C ZINC001202495319 774721490 /nfs/dbraw/zinc/72/14/90/774721490.db2.gz DGZSOFRMLAXOBH-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC1(C)OCc2cc(C[C@H](N)C(=O)N[C@H]3CC[NH2+]C3)ccc2O1 ZINC001220283612 774756892 /nfs/dbraw/zinc/75/68/92/774756892.db2.gz ZFOSHSKMARTJHG-KBPBESRZSA-N 1 3 319.405 0.680 20 0 DCADHO NCc1ccc(C(=O)NCc2ncn3c2C[NH2+]CCC3)cn1 ZINC001220313458 774768038 /nfs/dbraw/zinc/76/80/38/774768038.db2.gz QIJPFCHVISBEAY-UHFFFAOYSA-N 1 3 300.366 0.160 20 0 DCADHO COc1ccc2c(c1)NC(=O)C[C@H]2CNC(=O)[C@@H](N)CCC[NH3+] ZINC001220408437 774800951 /nfs/dbraw/zinc/80/09/51/774800951.db2.gz DUWJBWTYZKCJFL-GWCFXTLKSA-N 1 3 320.393 0.303 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC)C[C@H]21 ZINC001114369045 774817235 /nfs/dbraw/zinc/81/72/35/774817235.db2.gz YDQFRKNKSOBDEX-XUWVNRHRSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC)C[C@H]21 ZINC001114369045 774817242 /nfs/dbraw/zinc/81/72/42/774817242.db2.gz YDQFRKNKSOBDEX-XUWVNRHRSA-N 1 3 309.454 0.944 20 0 DCADHO O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)Cc1ccccc1 ZINC001220462610 774818825 /nfs/dbraw/zinc/81/88/25/774818825.db2.gz IGZYHPJAADYGJJ-RHSMWYFYSA-N 1 3 301.390 0.114 20 0 DCADHO O=C(N[C@@H]1CCc2ccc(O)cc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220592101 774858082 /nfs/dbraw/zinc/85/80/82/774858082.db2.gz FFQVSRVPJJHMRS-IIDMSEBBSA-N 1 3 315.417 0.565 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001220716775 774901322 /nfs/dbraw/zinc/90/13/22/774901322.db2.gz RELPZLNWPYNFQT-IPVBOJNNSA-N 1 3 324.469 0.608 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220716775 774901326 /nfs/dbraw/zinc/90/13/26/774901326.db2.gz RELPZLNWPYNFQT-IPVBOJNNSA-N 1 3 324.469 0.608 20 0 DCADHO COc1ccc(CC[NH+]2CCC(NC(=O)[C@@H](N)CN)CC2)cc1 ZINC001220743600 774906389 /nfs/dbraw/zinc/90/63/89/774906389.db2.gz JAIZKHMSNHLXSG-INIZCTEOSA-N 1 3 320.437 0.104 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1CNC[C@@H](F)C1 ZINC001220790106 774916128 /nfs/dbraw/zinc/91/61/28/774916128.db2.gz OSKXSDTZOLVBCU-LJISPDSOSA-N 1 3 306.385 0.796 20 0 DCADHO Cc1noc(C2(NC(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)CC2)n1 ZINC001220933110 774956757 /nfs/dbraw/zinc/95/67/57/774956757.db2.gz WCDZKEKSIVIEPX-LLVKDONJSA-N 1 3 305.382 0.358 20 0 DCADHO Cc1noc(C2(NC(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)CC2)n1 ZINC001220933110 774956760 /nfs/dbraw/zinc/95/67/60/774956760.db2.gz WCDZKEKSIVIEPX-LLVKDONJSA-N 1 3 305.382 0.358 20 0 DCADHO Cc1cccc(C(C)(C)CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001220995267 774972897 /nfs/dbraw/zinc/97/28/97/774972897.db2.gz VFPSOQJGYZCYRA-CYBMUJFWSA-N 1 3 302.422 0.593 20 0 DCADHO CN1CCNC[C@@H]1C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130586 775003731 /nfs/dbraw/zinc/00/37/31/775003731.db2.gz YSGMGSNZMVNYPB-OAHLLOKOSA-N 1 3 308.470 0.566 20 0 DCADHO COc1cccnc1C(C)(C)CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221168340 775013505 /nfs/dbraw/zinc/01/35/05/775013505.db2.gz IMUBOXDNUJQPDO-GFCCVEGCSA-N 1 3 318.421 0.293 20 0 DCADHO COc1cccnc1[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221214983 775029740 /nfs/dbraw/zinc/02/97/40/775029740.db2.gz LDEXJRKNAKIISU-GXTWGEPZSA-N 1 3 316.405 0.467 20 0 DCADHO N[C@@H](C(=O)NCc1ccc2c(c1)CC(=O)N2)C1CC[NH2+]CC1 ZINC001221298170 775058930 /nfs/dbraw/zinc/05/89/30/775058930.db2.gz FEVFULGFXYWGAJ-OAHLLOKOSA-N 1 3 302.378 0.124 20 0 DCADHO O=C(NCc1cccc(-c2c[nH]cn2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221304009 775061296 /nfs/dbraw/zinc/06/12/96/775061296.db2.gz XCVONFIELLAZES-AWEZNQCLSA-N 1 3 311.389 0.502 20 0 DCADHO O=C(N[C@H]1CCc2c1c(F)ccc2F)[C@H]1C[NH2+]CC12CNC2 ZINC001221364592 775076868 /nfs/dbraw/zinc/07/68/68/775076868.db2.gz WQYVQABUMJYFKI-MFKMUULPSA-N 1 3 307.344 0.877 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)CC3([NH3+])CCOCC3)CC2)NC1 ZINC001221393257 775084446 /nfs/dbraw/zinc/08/44/46/775084446.db2.gz ZMFXZVDGUWTGLC-UHFFFAOYSA-N 1 3 320.437 0.453 20 0 DCADHO [NH3+]C1(CC(=O)NC[C@@H]2Cc3ccccc3CN2)CCOCC1 ZINC001221398811 775086949 /nfs/dbraw/zinc/08/69/49/775086949.db2.gz HICDNQZRUWZVGR-HNNXBMFYSA-N 1 3 303.406 0.715 20 0 DCADHO CC[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)COC)CC1)N(C)C ZINC001224583721 775585829 /nfs/dbraw/zinc/58/58/29/775585829.db2.gz ZPMVOWUNZNOONI-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226801125 775878331 /nfs/dbraw/zinc/87/83/31/775878331.db2.gz SMYKMZOYVWFBIA-IIAWOOMASA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001228065533 776044261 /nfs/dbraw/zinc/04/42/61/776044261.db2.gz QRJGTIKUDKEWQC-UHFFFAOYSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001228065533 776044265 /nfs/dbraw/zinc/04/42/65/776044265.db2.gz QRJGTIKUDKEWQC-UHFFFAOYSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115535178 776156058 /nfs/dbraw/zinc/15/60/58/776156058.db2.gz MHIPVJAOCAHQNZ-CQSZACIVSA-N 1 3 324.469 0.753 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC ZINC001229869024 776231121 /nfs/dbraw/zinc/23/11/21/776231121.db2.gz VGHAMLAHAUTBCZ-BFHYXJOUSA-N 1 3 312.458 0.480 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284869 776275256 /nfs/dbraw/zinc/27/52/56/776275256.db2.gz XKQHMPZZTLWISY-RRFJBIMHSA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001230280177 776276258 /nfs/dbraw/zinc/27/62/58/776276258.db2.gz PRTXSQOUXUJOCA-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO COCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357654 777225010 /nfs/dbraw/zinc/22/50/10/777225010.db2.gz IAVWQQRUPNZKTI-DOTOQJQBSA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357654 777225017 /nfs/dbraw/zinc/22/50/17/777225017.db2.gz IAVWQQRUPNZKTI-DOTOQJQBSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1)C1CC1 ZINC001041357410 777225047 /nfs/dbraw/zinc/22/50/47/777225047.db2.gz HBCVAUYFMSOYSO-NVXWUHKLSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1)C1CC1 ZINC001041357410 777225056 /nfs/dbraw/zinc/22/50/56/777225056.db2.gz HBCVAUYFMSOYSO-NVXWUHKLSA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041846184 777538039 /nfs/dbraw/zinc/53/80/39/777538039.db2.gz ZAQKBKRANKBEQK-RDJZCZTQSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041846184 777538047 /nfs/dbraw/zinc/53/80/47/777538047.db2.gz ZAQKBKRANKBEQK-RDJZCZTQSA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001277981681 945081461 /nfs/dbraw/zinc/08/14/61/945081461.db2.gz OQHUYICSJVZXAE-KBPBESRZSA-N 1 3 308.430 0.199 20 0 DCADHO CN(CCNCc1cn(C)nc1C(F)F)C(=O)CC[NH+](C)C ZINC001317622849 945123117 /nfs/dbraw/zinc/12/31/17/945123117.db2.gz DCYGDOUIHHYYQN-UHFFFAOYSA-N 1 3 317.384 0.857 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317627155 945124843 /nfs/dbraw/zinc/12/48/43/945124843.db2.gz SIGJDWQTUVDKTP-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317627155 945124846 /nfs/dbraw/zinc/12/48/46/945124846.db2.gz SIGJDWQTUVDKTP-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001317652055 945146238 /nfs/dbraw/zinc/14/62/38/945146238.db2.gz CQLLYMNDVTUETA-AWEZNQCLSA-N 1 3 314.474 0.535 20 0 DCADHO CN(C)C(=O)C[C@H]1C[C@@H]2CN(C[C@H]3CCC[N@H+](C)C3)C[C@@H]2O1 ZINC001278149015 945156614 /nfs/dbraw/zinc/15/66/14/945156614.db2.gz UVGWWUAPWGGBNF-JJXSEGSLSA-N 1 3 309.454 0.896 20 0 DCADHO CN(C)C(=O)C[C@H]1C[C@@H]2CN(C[C@H]3CCC[N@@H+](C)C3)C[C@@H]2O1 ZINC001278149015 945156620 /nfs/dbraw/zinc/15/66/20/945156620.db2.gz UVGWWUAPWGGBNF-JJXSEGSLSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267386892 939445037 /nfs/dbraw/zinc/44/50/37/939445037.db2.gz XZORISNUQJGFGD-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267386892 939445038 /nfs/dbraw/zinc/44/50/38/939445038.db2.gz XZORISNUQJGFGD-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001408633189 939479709 /nfs/dbraw/zinc/47/97/09/939479709.db2.gz GDTPALSHLLFBFL-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001408633189 939479710 /nfs/dbraw/zinc/47/97/10/939479710.db2.gz GDTPALSHLLFBFL-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273122916 945277591 /nfs/dbraw/zinc/27/75/91/945277591.db2.gz JTKLUOVHJJFCNZ-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273122916 945277596 /nfs/dbraw/zinc/27/75/96/945277596.db2.gz JTKLUOVHJJFCNZ-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001481515070 939912203 /nfs/dbraw/zinc/91/22/03/939912203.db2.gz ZNFGWZSTPRDNJE-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001481515070 939912205 /nfs/dbraw/zinc/91/22/05/939912205.db2.gz ZNFGWZSTPRDNJE-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001481627701 939980145 /nfs/dbraw/zinc/98/01/45/939980145.db2.gz FPQXEGAXULJTDS-UKRRQHHQSA-N 1 3 315.433 0.751 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCN1CCCC1=O ZINC001268419377 940115895 /nfs/dbraw/zinc/11/58/95/940115895.db2.gz LYKIZZOEZXPUAO-LBPRGKRZSA-N 1 3 321.425 0.367 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001481875647 940168165 /nfs/dbraw/zinc/16/81/65/940168165.db2.gz OSMPLKVFKINHSR-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001481875647 940168166 /nfs/dbraw/zinc/16/81/66/940168166.db2.gz OSMPLKVFKINHSR-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+]CC(=O)N2CCC2)CCCC1 ZINC001481911237 940179236 /nfs/dbraw/zinc/17/92/36/940179236.db2.gz FFIFGVRAJIIISE-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO O[C@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COc1ccc(F)cc1 ZINC001245977095 945302890 /nfs/dbraw/zinc/30/28/90/945302890.db2.gz VIMQQQMBMZWZDL-VHDGCEQUSA-N 1 3 316.348 0.218 20 0 DCADHO O[C@H](CN[C@@H]1CNCc2ccsc21)CC1(O)CC[NH2+]CC1 ZINC001245981271 945305763 /nfs/dbraw/zinc/30/57/63/945305763.db2.gz FWUICCMUSJEGHT-QWHCGFSZSA-N 1 3 311.451 0.348 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cnn(C)c1 ZINC001482108655 940260366 /nfs/dbraw/zinc/26/03/66/940260366.db2.gz UWDPZCBJIQOMBK-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268613594 940299862 /nfs/dbraw/zinc/29/98/62/940299862.db2.gz OHCIXZYWARUJIX-BEVHLOIGSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268613594 940299866 /nfs/dbraw/zinc/29/98/66/940299866.db2.gz OHCIXZYWARUJIX-BEVHLOIGSA-N 1 3 310.442 0.067 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)n1 ZINC001268704582 940335607 /nfs/dbraw/zinc/33/56/07/940335607.db2.gz JMDIRKWZSMPNNS-HIFRSBDPSA-N 1 3 321.469 0.936 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)CN(C)C1CCC1 ZINC001268797143 940364734 /nfs/dbraw/zinc/36/47/34/940364734.db2.gz GNUZPJULJHOQIT-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)COc1ccccc1C ZINC001246017813 945317743 /nfs/dbraw/zinc/31/77/43/945317743.db2.gz CNBOUQSJJLBHCX-GJZGRUSLSA-N 1 3 323.437 0.568 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001269249344 940662274 /nfs/dbraw/zinc/66/22/74/940662274.db2.gz WHLIKSIRCSMCIG-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001269249344 940662277 /nfs/dbraw/zinc/66/22/77/940662277.db2.gz WHLIKSIRCSMCIG-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](NC[C@@]23CCCO[C@@H]2CC[NH2+]C3)CN1 ZINC001246151402 945351027 /nfs/dbraw/zinc/35/10/27/945351027.db2.gz NJAMDZZEWVYXNS-AYDFFVQHSA-N 1 3 311.426 0.028 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)n[nH]1 ZINC001270174353 940849800 /nfs/dbraw/zinc/84/98/00/940849800.db2.gz LLBRIPRCJCPRNB-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001270616967 940936303 /nfs/dbraw/zinc/93/63/03/940936303.db2.gz CFAAIUKHGNUOIJ-HNNXBMFYSA-N 1 3 317.437 0.512 20 0 DCADHO C[N@H+]1CCCC[C@H]1C(=O)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001270616967 940936307 /nfs/dbraw/zinc/93/63/07/940936307.db2.gz CFAAIUKHGNUOIJ-HNNXBMFYSA-N 1 3 317.437 0.512 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001482366117 941023547 /nfs/dbraw/zinc/02/35/47/941023547.db2.gz NZYHCMILQVOGAJ-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CC)CC(=O)N1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001271537968 941398301 /nfs/dbraw/zinc/39/83/01/941398301.db2.gz OBMQSYWNJFDFAI-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCOC ZINC001423541862 941544107 /nfs/dbraw/zinc/54/41/07/941544107.db2.gz IMZAZHIMMDEFCM-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCOC ZINC001423541862 941544110 /nfs/dbraw/zinc/54/41/10/941544110.db2.gz IMZAZHIMMDEFCM-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCCF)CCOCC2)C1 ZINC001423731826 941561982 /nfs/dbraw/zinc/56/19/82/941561982.db2.gz YAQCDXPHGLJLAK-ZDUSSCGKSA-N 1 3 301.406 0.553 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCCF)CCOCC2)C1 ZINC001423731826 941561986 /nfs/dbraw/zinc/56/19/86/941561986.db2.gz YAQCDXPHGLJLAK-ZDUSSCGKSA-N 1 3 301.406 0.553 20 0 DCADHO COc1cncc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001482899364 941701403 /nfs/dbraw/zinc/70/14/03/941701403.db2.gz OQBYWZWDQAXXGM-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001482899364 941701404 /nfs/dbraw/zinc/70/14/04/941701404.db2.gz OQBYWZWDQAXXGM-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001483068834 941825016 /nfs/dbraw/zinc/82/50/16/941825016.db2.gz JAEGPWQLFHQXFQ-MEWZEZIVSA-N 1 3 310.442 0.385 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001483068834 941825022 /nfs/dbraw/zinc/82/50/22/941825022.db2.gz JAEGPWQLFHQXFQ-MEWZEZIVSA-N 1 3 310.442 0.385 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001496844308 941917863 /nfs/dbraw/zinc/91/78/63/941917863.db2.gz WFJOCQPOSUDMHN-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001496844308 941917866 /nfs/dbraw/zinc/91/78/66/941917866.db2.gz WFJOCQPOSUDMHN-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001483185334 941926276 /nfs/dbraw/zinc/92/62/76/941926276.db2.gz GRTLDPGLEINESS-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](NCc1ccnn1C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409396644 941978892 /nfs/dbraw/zinc/97/88/92/941978892.db2.gz KAIJAXVRGYCNLM-OLZOCXBDSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409406592 941985040 /nfs/dbraw/zinc/98/50/40/941985040.db2.gz AJBONROORPXUOZ-STQMWFEESA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](C[NH2+]C[C@H]1CCc2ncnn21)NC(=O)CN(C)C1CCC1 ZINC001483235564 942037835 /nfs/dbraw/zinc/03/78/35/942037835.db2.gz VUMWSWKQCBQUAL-GXTWGEPZSA-N 1 3 320.441 0.344 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001483284235 942238591 /nfs/dbraw/zinc/23/85/91/942238591.db2.gz FYUGFYUIARMGQS-QWRGUYRKSA-N 1 3 306.414 0.364 20 0 DCADHO C[C@H](CN(C)C[C@H]1CCc2ncnn21)NC(=O)CC[NH+](C)C ZINC001483381234 942315415 /nfs/dbraw/zinc/31/54/15/942315415.db2.gz IXGONJNUPFJYAP-CHWSQXEVSA-N 1 3 308.430 0.154 20 0 DCADHO CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC(N)=O)N1CCCC1 ZINC001483439483 942360729 /nfs/dbraw/zinc/36/07/29/942360729.db2.gz UOYBALVPKFZSMB-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001413107775 942509082 /nfs/dbraw/zinc/50/90/82/942509082.db2.gz OQKQJRZXMHRXPH-AAEUAGOBSA-N 1 3 321.425 0.318 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC/C=C\Cl)CC[N@@H+]1C ZINC001272426931 942748297 /nfs/dbraw/zinc/74/82/97/942748297.db2.gz YDEJPNYSJDMHRI-CNBHBECHSA-N 1 3 303.834 0.536 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNC/C=C\Cl)CC[N@H+]1C ZINC001272426931 942748298 /nfs/dbraw/zinc/74/82/98/942748298.db2.gz YDEJPNYSJDMHRI-CNBHBECHSA-N 1 3 303.834 0.536 20 0 DCADHO CCC[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001272456661 942764809 /nfs/dbraw/zinc/76/48/09/942764809.db2.gz LNVIGARDAOSONS-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CCC[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001272456661 942764813 /nfs/dbraw/zinc/76/48/13/942764813.db2.gz LNVIGARDAOSONS-SFHVURJKSA-N 1 3 322.497 0.958 20 0 DCADHO CCCN(C)CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001414644439 942789961 /nfs/dbraw/zinc/78/99/61/942789961.db2.gz PHYASCJEWAIYLP-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001414644439 942789965 /nfs/dbraw/zinc/78/99/65/942789965.db2.gz PHYASCJEWAIYLP-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CCNCc3cnns3)C2)C1 ZINC001272641235 942880779 /nfs/dbraw/zinc/88/07/79/942880779.db2.gz CFDKRDSQGRTXAZ-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CCNCc3cnns3)C2)C1 ZINC001272641235 942880783 /nfs/dbraw/zinc/88/07/83/942880783.db2.gz CFDKRDSQGRTXAZ-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC)C1 ZINC001484126549 943158426 /nfs/dbraw/zinc/15/84/26/943158426.db2.gz WTPNSWYNJZGUSP-RHSMWYFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484543517 943445441 /nfs/dbraw/zinc/44/54/41/943445441.db2.gz MSOHAEBOXDWABM-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484580307 943457400 /nfs/dbraw/zinc/45/74/00/943457400.db2.gz CBLVUQUIRDLLRK-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCc3ccnn3C)C2)CCC1 ZINC001490897433 943585935 /nfs/dbraw/zinc/58/59/35/943585935.db2.gz IAMNWMTXWDUSNK-HDJSIYSDSA-N 1 3 319.453 0.684 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001484876698 943609486 /nfs/dbraw/zinc/60/94/86/943609486.db2.gz CCMCYTBJHZMWBA-CFVMTHIKSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001484904585 943621962 /nfs/dbraw/zinc/62/19/62/943621962.db2.gz LGVNLYMJZCJDGT-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001491455031 944008489 /nfs/dbraw/zinc/00/84/89/944008489.db2.gz NSSGBVJTKSVMPP-KGLIPLIRSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001491455031 944008497 /nfs/dbraw/zinc/00/84/97/944008497.db2.gz NSSGBVJTKSVMPP-KGLIPLIRSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)N[C@@H]1CCNC1=O ZINC001491503556 944054203 /nfs/dbraw/zinc/05/42/03/944054203.db2.gz BGIKJONPHNBMBP-GXTWGEPZSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)N[C@@H]1CCNC1=O ZINC001491503556 944054212 /nfs/dbraw/zinc/05/42/12/944054212.db2.gz BGIKJONPHNBMBP-GXTWGEPZSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001485695575 944090017 /nfs/dbraw/zinc/09/00/17/944090017.db2.gz HYHNYSCVKRPHSN-YDHLFZDLSA-N 1 3 322.453 0.091 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC001203010590 944142656 /nfs/dbraw/zinc/14/26/56/944142656.db2.gz UBYAAMLLTMSUTB-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(CCc2cnn(C)c2)C1 ZINC001409930518 944198566 /nfs/dbraw/zinc/19/85/66/944198566.db2.gz HQRRIJCWKBJFGP-CYBMUJFWSA-N 1 3 307.442 0.351 20 0 DCADHO Cc1n[nH]cc1CN1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001272755101 944209716 /nfs/dbraw/zinc/20/97/16/944209716.db2.gz SSVFEVBAKHZHSL-OAHLLOKOSA-N 1 3 319.453 0.998 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ncccc4[O-])CC3)[C@@H]2C1 ZINC001276591593 944228817 /nfs/dbraw/zinc/22/88/17/944228817.db2.gz RHVZERPTEHRXAP-CHWSQXEVSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ncccc4[O-])CC3)[C@@H]2C1 ZINC001276591593 944228818 /nfs/dbraw/zinc/22/88/18/944228818.db2.gz RHVZERPTEHRXAP-CHWSQXEVSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ncccc4O)CC3)[C@@H]2C1 ZINC001276591593 944228824 /nfs/dbraw/zinc/22/88/24/944228824.db2.gz RHVZERPTEHRXAP-CHWSQXEVSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4ncccc4O)CC3)[C@@H]2C1 ZINC001276591593 944228825 /nfs/dbraw/zinc/22/88/25/944228825.db2.gz RHVZERPTEHRXAP-CHWSQXEVSA-N 1 3 316.405 0.429 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001485945322 944426110 /nfs/dbraw/zinc/42/61/10/944426110.db2.gz VRKVIDCSVMDRNQ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001485945322 944426116 /nfs/dbraw/zinc/42/61/16/944426116.db2.gz VRKVIDCSVMDRNQ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001485996684 944472144 /nfs/dbraw/zinc/47/21/44/944472144.db2.gz IIYYXVDKUKAKFU-KGLIPLIRSA-N 1 3 315.458 0.353 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](CO)NCc2ccccc2)CC1 ZINC001486025777 944487763 /nfs/dbraw/zinc/48/77/63/944487763.db2.gz BLGXGNUENOHKKI-OAHLLOKOSA-N 1 3 305.422 0.595 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N2CCCCC2)CCN1C(=O)CC[NH+](C)C ZINC001486084952 944545581 /nfs/dbraw/zinc/54/55/81/944545581.db2.gz NFGUYSNHQPNHDR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)[C@@H]1C ZINC001486090555 944548391 /nfs/dbraw/zinc/54/83/91/944548391.db2.gz BKNXTIIOBVZNGK-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001486117451 944575813 /nfs/dbraw/zinc/57/58/13/944575813.db2.gz ZTVSKKAWPIEFJC-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)[C@H]2C1 ZINC001486165971 944613980 /nfs/dbraw/zinc/61/39/80/944613980.db2.gz IAPNNQZSJSQAQR-MELADBBJSA-N 1 3 310.442 0.029 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001486240029 944665272 /nfs/dbraw/zinc/66/52/72/944665272.db2.gz IHDIGUGULKDWOO-MELADBBJSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC001486240029 944665277 /nfs/dbraw/zinc/66/52/77/944665277.db2.gz IHDIGUGULKDWOO-MELADBBJSA-N 1 3 324.469 0.289 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001486250940 944671785 /nfs/dbraw/zinc/67/17/85/944671785.db2.gz ZYWKPXVMMQRHOL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486250940 944671789 /nfs/dbraw/zinc/67/17/89/944671789.db2.gz ZYWKPXVMMQRHOL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1cncc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001486316758 944763221 /nfs/dbraw/zinc/76/32/21/944763221.db2.gz ICFAWKAFFFSXCJ-CVEARBPZSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1cncc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001486316758 944763225 /nfs/dbraw/zinc/76/32/25/944763225.db2.gz ICFAWKAFFFSXCJ-CVEARBPZSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001317362642 944940045 /nfs/dbraw/zinc/94/00/45/944940045.db2.gz GNFSOJOHIJPJIT-UONOGXRCSA-N 1 3 324.425 0.287 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(c1cncn1C)CC2 ZINC001277765762 944971297 /nfs/dbraw/zinc/97/12/97/944971297.db2.gz QIPLLGYRWJBDRU-UHFFFAOYSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(c1cncn1C)CC2 ZINC001277765762 944971300 /nfs/dbraw/zinc/97/13/00/944971300.db2.gz QIPLLGYRWJBDRU-UHFFFAOYSA-N 1 3 305.426 0.801 20 0 DCADHO C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3CC2(C)COC2)CC1 ZINC001277933643 945046781 /nfs/dbraw/zinc/04/67/81/945046781.db2.gz KYIZISMUAXJAEN-DYVFJYSZSA-N 1 3 307.438 0.698 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](NCc2cccc(N3CC[NH2+]CC3)c2)CN1 ZINC001246339648 945388293 /nfs/dbraw/zinc/38/82/93/945388293.db2.gz AJTFWXHRXLEHNI-ZBFHGGJFSA-N 1 3 318.421 0.089 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCOCC3CC3)C2)C1 ZINC001278444073 945399092 /nfs/dbraw/zinc/39/90/92/945399092.db2.gz OACCYLIXCRXMPV-NVXWUHKLSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(CCOCC3CC3)C2)C1 ZINC001278444073 945399106 /nfs/dbraw/zinc/39/91/06/945399106.db2.gz OACCYLIXCRXMPV-NVXWUHKLSA-N 1 3 309.454 0.945 20 0 DCADHO NC1=CC=C(C2CC[NH+](C3C[C@@H]4COC[C@H](C3)N4)CC2)NC1 ZINC001246495960 945418910 /nfs/dbraw/zinc/41/89/10/945418910.db2.gz SGEFNUQWDPDTQP-XYPWUTKMSA-N 1 3 304.438 0.548 20 0 DCADHO CCOC(=O)[C@@H]1CC2(CN1[C@H]1CCNC(=O)C1)CC[NH2+]CC2 ZINC001246604504 945441468 /nfs/dbraw/zinc/44/14/68/945441468.db2.gz QTFWEUJKBOXDSM-STQMWFEESA-N 1 3 309.410 0.272 20 0 DCADHO FC1(F)CN(C2C[C@@H]3COC[C@H](C2)N3)C2(C1)CC[NH2+]CC2 ZINC001246656400 945453580 /nfs/dbraw/zinc/45/35/80/945453580.db2.gz SXBRKLAZNNEAEW-FUNVUKJBSA-N 1 3 301.381 0.969 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)CCN1 ZINC001246684141 945460895 /nfs/dbraw/zinc/46/08/95/945460895.db2.gz KTKQYHLKVXURDG-WVCIDPQESA-N 1 3 323.437 0.123 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)CCN1 ZINC001246684141 945460899 /nfs/dbraw/zinc/46/08/99/945460899.db2.gz KTKQYHLKVXURDG-WVCIDPQESA-N 1 3 323.437 0.123 20 0 DCADHO CNC(=O)C[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001318915918 945463857 /nfs/dbraw/zinc/46/38/57/945463857.db2.gz YSRKAOJQRWRIBM-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCN[C@@H](C)C2)O1 ZINC001246705183 945464927 /nfs/dbraw/zinc/46/49/27/945464927.db2.gz XORMBSZOJHOTJX-AHDPXTMNSA-N 1 3 311.426 0.121 20 0 DCADHO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCN[C@@H](C)C2)O1 ZINC001246705183 945464930 /nfs/dbraw/zinc/46/49/30/945464930.db2.gz XORMBSZOJHOTJX-AHDPXTMNSA-N 1 3 311.426 0.121 20 0 DCADHO C[C@@H]1C[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CC[NH2+]1 ZINC001246710483 945468411 /nfs/dbraw/zinc/46/84/11/945468411.db2.gz WSZFKVBDEFKFRQ-OLZOCXBDSA-N 1 3 315.421 0.854 20 0 DCADHO Cn1cc(N2CC[C@@]3(CC[N@@H+](C4CCNCC4)C3)C2=O)cn1 ZINC001246722589 945473150 /nfs/dbraw/zinc/47/31/50/945473150.db2.gz ROBNHVQWRXGBDQ-MRXNPFEDSA-N 1 3 303.410 0.601 20 0 DCADHO Cn1cc(N2CC[C@@]3(CC[N@H+](C4CCNCC4)C3)C2=O)cn1 ZINC001246722589 945473152 /nfs/dbraw/zinc/47/31/52/945473152.db2.gz ROBNHVQWRXGBDQ-MRXNPFEDSA-N 1 3 303.410 0.601 20 0 DCADHO C[C@@H]1C[C@H](N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CC[NH2+]1 ZINC001246737370 945477573 /nfs/dbraw/zinc/47/75/73/945477573.db2.gz BJZLHOJROCJGTG-CPUCHLNUSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCN1 ZINC001246737370 945477580 /nfs/dbraw/zinc/47/75/80/945477580.db2.gz BJZLHOJROCJGTG-CPUCHLNUSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)CCN1 ZINC001246737370 945477585 /nfs/dbraw/zinc/47/75/85/945477585.db2.gz BJZLHOJROCJGTG-CPUCHLNUSA-N 1 3 317.437 0.989 20 0 DCADHO CN(C)C(=O)c1nn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c1CNCC2 ZINC001246745354 945481692 /nfs/dbraw/zinc/48/16/92/945481692.db2.gz HAOWIQUVUVWPKU-FOSCPWQOSA-N 1 3 303.410 0.686 20 0 DCADHO O=C(NCC1CC1)c1nn([C@H]2CCC[NH2+]C2)c2c1CNCC2 ZINC001246760858 945483407 /nfs/dbraw/zinc/48/34/07/945483407.db2.gz RIORCMVBMWUCEL-LBPRGKRZSA-N 1 3 303.410 0.593 20 0 DCADHO C[C@H]1CC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C[NH2+]1 ZINC001246760618 945484658 /nfs/dbraw/zinc/48/46/58/945484658.db2.gz QRHNRMKLZQKWHK-WCQYABFASA-N 1 3 317.437 0.982 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3)C[C@@H]2C1 ZINC001246765199 945486916 /nfs/dbraw/zinc/48/69/16/945486916.db2.gz IHBASLLYBCVJRE-OWCLPIDISA-N 1 3 300.406 0.837 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3)C[C@@H]2C1 ZINC001246765199 945486922 /nfs/dbraw/zinc/48/69/22/945486922.db2.gz IHBASLLYBCVJRE-OWCLPIDISA-N 1 3 300.406 0.837 20 0 DCADHO OC1(Cc2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]CC1 ZINC001247725812 945572305 /nfs/dbraw/zinc/57/23/05/945572305.db2.gz XKXRJMSSDADFFH-UHFFFAOYSA-N 1 3 315.377 0.434 20 0 DCADHO Cn1ncc2cc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)ccc21 ZINC001247829413 945575945 /nfs/dbraw/zinc/57/59/45/945575945.db2.gz ISOUPAUGFXPWIH-GFCCVEGCSA-N 1 3 310.361 0.900 20 0 DCADHO c1cc(-c2noc([C@]34C[NH2+]C[C@H]3CCN4)n2)nc2c1CNCC2 ZINC001247831926 945576817 /nfs/dbraw/zinc/57/68/17/945576817.db2.gz ABWCPAKDYUZDNB-BZNIZROVSA-N 1 3 312.377 0.185 20 0 DCADHO COc1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001273175531 945640941 /nfs/dbraw/zinc/64/09/41/945640941.db2.gz IENLZMMYEQJUJK-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001273175531 945640944 /nfs/dbraw/zinc/64/09/44/945640944.db2.gz IENLZMMYEQJUJK-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@@H](CC[NH2+]CCN1CCCC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001320447134 945882947 /nfs/dbraw/zinc/88/29/47/945882947.db2.gz QJRBKZCLVSRBNP-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001410233504 946069210 /nfs/dbraw/zinc/06/92/10/946069210.db2.gz BUCWVQZABDICAG-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001253186938 946088428 /nfs/dbraw/zinc/08/84/28/946088428.db2.gz UJLIEZMUCQPXAH-MPTYRVRUSA-N 1 3 323.481 0.926 20 0 DCADHO CCN(CC)C[C@H](O)C[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001253186938 946088440 /nfs/dbraw/zinc/08/84/40/946088440.db2.gz UJLIEZMUCQPXAH-MPTYRVRUSA-N 1 3 323.481 0.926 20 0 DCADHO CCN1CC[C@@]2(CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]2C)C1=O ZINC001253391322 946113390 /nfs/dbraw/zinc/11/33/90/946113390.db2.gz ZNCHMHJSBOANFP-VBQJREDUSA-N 1 3 311.470 0.926 20 0 DCADHO CCN1CC[C@@]2(C[N@H+](C[C@H](O)CNC(C)(C)C)C[C@@H]2C)C1=O ZINC001253391322 946113399 /nfs/dbraw/zinc/11/33/99/946113399.db2.gz ZNCHMHJSBOANFP-VBQJREDUSA-N 1 3 311.470 0.926 20 0 DCADHO CCN1CC[C@@]2(C[N@@H+](C[C@H](O)CNC(C)(C)C)C[C@@H]2C)C1=O ZINC001253391322 946113407 /nfs/dbraw/zinc/11/34/07/946113407.db2.gz ZNCHMHJSBOANFP-VBQJREDUSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001410334412 946204231 /nfs/dbraw/zinc/20/42/31/946204231.db2.gz SWWOINHFRUTNOR-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001321231758 946226304 /nfs/dbraw/zinc/22/63/04/946226304.db2.gz IKVNBRBJVHDFLG-GIBSZGAASA-N 1 3 312.458 0.311 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001321251249 946238967 /nfs/dbraw/zinc/23/89/67/946238967.db2.gz JTTGBHFODWLCQB-MUHKLVGJSA-N 1 3 324.469 0.505 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cncn1C ZINC001410374384 946268384 /nfs/dbraw/zinc/26/83/84/946268384.db2.gz HRJXXKJJSNLXHX-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cncn1C ZINC001410374384 946268390 /nfs/dbraw/zinc/26/83/90/946268390.db2.gz HRJXXKJJSNLXHX-UMVBOHGHSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCC(=O)N1CCCC1 ZINC001410433722 946362481 /nfs/dbraw/zinc/36/24/81/946362481.db2.gz IWRICUDVINZIOX-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C1CC1 ZINC001410443257 946385759 /nfs/dbraw/zinc/38/57/59/946385759.db2.gz DLIBYQRJGJQUMW-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC1 ZINC001254518151 946404576 /nfs/dbraw/zinc/40/45/76/946404576.db2.gz KSDSAKAZLYSGMT-OAGGEKHMSA-N 1 3 317.437 0.850 20 0 DCADHO C[N@H+]1CCC[C@@H](N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC1 ZINC001254518151 946404582 /nfs/dbraw/zinc/40/45/82/946404582.db2.gz KSDSAKAZLYSGMT-OAGGEKHMSA-N 1 3 317.437 0.850 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3nccnc3N)C2)C1=O ZINC001273275660 946412937 /nfs/dbraw/zinc/41/29/37/946412937.db2.gz SLYXATLVGDHTML-MRXNPFEDSA-N 1 3 318.425 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1cnn(C)c1)[NH+](C)C ZINC001410474361 946464620 /nfs/dbraw/zinc/46/46/20/946464620.db2.gz MVCCONJWBFWJGX-HIFRSBDPSA-N 1 3 309.458 0.943 20 0 DCADHO C[N@@H+]1CC[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001255427572 946502033 /nfs/dbraw/zinc/50/20/33/946502033.db2.gz KGIOZBZZIAFZAO-GFCCVEGCSA-N 1 3 301.394 0.417 20 0 DCADHO C[N@H+]1CC[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001255427572 946502042 /nfs/dbraw/zinc/50/20/42/946502042.db2.gz KGIOZBZZIAFZAO-GFCCVEGCSA-N 1 3 301.394 0.417 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001321992642 946541853 /nfs/dbraw/zinc/54/18/53/946541853.db2.gz ZDRNIKIFARNHCV-ZFWWWQNUSA-N 1 3 309.458 0.934 20 0 DCADHO C[NH+]1CCC(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CO)CC1 ZINC001256198274 946595144 /nfs/dbraw/zinc/59/51/44/946595144.db2.gz HXMNRXTZBMFZOJ-GXTWGEPZSA-N 1 3 313.442 0.898 20 0 DCADHO CCC[NH+]1C[C@@H]2CN([C@H](C)CC(=O)N3CCOCC3)C[C@H]2C1 ZINC001256350300 946622806 /nfs/dbraw/zinc/62/28/06/946622806.db2.gz TVMJHECNLNRMLJ-BZUAXINKSA-N 1 3 309.454 0.897 20 0 DCADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CC(=O)N3CCOCC3)C[C@H]2C1 ZINC001256350300 946622810 /nfs/dbraw/zinc/62/28/10/946622810.db2.gz TVMJHECNLNRMLJ-BZUAXINKSA-N 1 3 309.454 0.897 20 0 DCADHO O=C1C=CC(=O)N1CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679841 946653452 /nfs/dbraw/zinc/65/34/52/946653452.db2.gz TXUIBSVUDJHVQG-UHFFFAOYSA-N 1 3 307.394 0.144 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCN2CCCC2=O)C1 ZINC001322694111 946771558 /nfs/dbraw/zinc/77/15/58/946771558.db2.gz NTFJAHAIVBPXHL-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCCCN(C)C ZINC001257914480 946777323 /nfs/dbraw/zinc/77/73/23/946777323.db2.gz WBLPKYLFYDFJFE-ZDUSSCGKSA-N 1 3 322.471 0.674 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)C(=O)NC1CC1 ZINC001322712009 946779102 /nfs/dbraw/zinc/77/91/02/946779102.db2.gz XMVMARFHVYYDCL-LLVKDONJSA-N 1 3 307.398 0.057 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001322831350 946826165 /nfs/dbraw/zinc/82/61/65/946826165.db2.gz JZDLQPURLJFLGE-ZDUSSCGKSA-N 1 3 308.430 0.188 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001322831350 946826180 /nfs/dbraw/zinc/82/61/80/946826180.db2.gz JZDLQPURLJFLGE-ZDUSSCGKSA-N 1 3 308.430 0.188 20 0 DCADHO Cc1ccccc1C[NH2+][C@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001410719956 946833836 /nfs/dbraw/zinc/83/38/36/946833836.db2.gz HRVSCDDFLXNLGU-YOEHRIQHSA-N 1 3 319.449 0.904 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001410870766 947058728 /nfs/dbraw/zinc/05/87/28/947058728.db2.gz UGFALTPKZVGSMV-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001410897401 947104803 /nfs/dbraw/zinc/10/48/03/947104803.db2.gz BNBKAXLUMHDENN-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001410897401 947104810 /nfs/dbraw/zinc/10/48/10/947104810.db2.gz BNBKAXLUMHDENN-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001410914517 947114442 /nfs/dbraw/zinc/11/44/42/947114442.db2.gz FPKVCKAGCRENRK-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001410928478 947136414 /nfs/dbraw/zinc/13/64/14/947136414.db2.gz ZSIXVPLBMJSSOU-CQSZACIVSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@H](C)[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001323749687 947191495 /nfs/dbraw/zinc/19/14/95/947191495.db2.gz XEWYATYBUMJJQX-UONOGXRCSA-N 1 3 314.474 0.489 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C(C)(C)C ZINC001411212322 947492300 /nfs/dbraw/zinc/49/23/00/947492300.db2.gz AUKWJHLNBFDZQK-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001411251837 947541803 /nfs/dbraw/zinc/54/18/03/947541803.db2.gz GIBAGUWVFOLXIG-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCCN2CCCC2=O)C1 ZINC001494849269 947708263 /nfs/dbraw/zinc/70/82/63/947708263.db2.gz XRLVATBBWUXZLT-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482580 947852402 /nfs/dbraw/zinc/85/24/02/947852402.db2.gz WKMAPGWGGDXHRJ-RDBSUJKOSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534451 947854695 /nfs/dbraw/zinc/85/46/95/947854695.db2.gz MOELGLCGIAJINC-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001179608952 947874712 /nfs/dbraw/zinc/87/47/12/947874712.db2.gz ALOHVHDVDADLQW-STQMWFEESA-N 1 3 300.447 0.467 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001179608951 947875461 /nfs/dbraw/zinc/87/54/61/947875461.db2.gz ALOHVHDVDADLQW-OLZOCXBDSA-N 1 3 300.447 0.467 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCC(C)CC1 ZINC001179779771 947903687 /nfs/dbraw/zinc/90/36/87/947903687.db2.gz VGCADKIUVHMKEH-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001186816703 947941969 /nfs/dbraw/zinc/94/19/69/947941969.db2.gz FDFCKMJIIDWVLP-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001186816703 947941979 /nfs/dbraw/zinc/94/19/79/947941979.db2.gz FDFCKMJIIDWVLP-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C1(C(=O)N(CCO)CC[NH2+]C/C=C\Cl)CCC1 ZINC001326034503 948027930 /nfs/dbraw/zinc/02/79/30/948027930.db2.gz SZYKAIBJFFKXCN-DAXSKMNVSA-N 1 3 303.834 0.634 20 0 DCADHO CCN(CC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)CN1CCCC1 ZINC001273753185 948066688 /nfs/dbraw/zinc/06/66/88/948066688.db2.gz RJACQGCGLCPMDU-NVXWUHKLSA-N 1 3 309.454 0.947 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCCN2CCn2ccnc2)C1=O ZINC001273784568 948089460 /nfs/dbraw/zinc/08/94/60/948089460.db2.gz FJSHZBSGZCHLII-MRXNPFEDSA-N 1 3 305.426 0.512 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001327413393 948502603 /nfs/dbraw/zinc/50/26/03/948502603.db2.gz UQDAMWBBCOZWPZ-GUYCJALGSA-N 1 3 322.453 0.126 20 0 DCADHO CC(C)[C@H](O)C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001273894446 948666870 /nfs/dbraw/zinc/66/68/70/948666870.db2.gz KZFPZVOKMVJONS-OAHLLOKOSA-N 1 3 311.470 0.879 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CC(N)=O ZINC001263958497 948813651 /nfs/dbraw/zinc/81/36/51/948813651.db2.gz NYBZISRLJQVSFC-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CCn3cncn3)C2)CCC1 ZINC001328869032 949156277 /nfs/dbraw/zinc/15/62/77/949156277.db2.gz JCTKXHOQRJRXFX-UHFFFAOYSA-N 1 3 320.441 0.247 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001488879615 949346064 /nfs/dbraw/zinc/34/60/64/949346064.db2.gz FJHWDIDJIJLYLO-TUVASFSCSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001329169614 949408990 /nfs/dbraw/zinc/40/89/90/949408990.db2.gz YRTXSBGOYGGZGS-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001329169614 949408996 /nfs/dbraw/zinc/40/89/96/949408996.db2.gz YRTXSBGOYGGZGS-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CCO)C1 ZINC001489089534 949517107 /nfs/dbraw/zinc/51/71/07/949517107.db2.gz SJQJLYMRCUSEKN-VGWMRTNUSA-N 1 3 309.454 0.488 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCO)C1 ZINC001489089534 949517120 /nfs/dbraw/zinc/51/71/20/949517120.db2.gz SJQJLYMRCUSEKN-VGWMRTNUSA-N 1 3 309.454 0.488 20 0 DCADHO NC(=O)CNC[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001265694392 949879500 /nfs/dbraw/zinc/87/95/00/949879500.db2.gz SBSUBQCMOXSQBF-OAHLLOKOSA-N 1 3 324.469 0.709 20 0 DCADHO COCCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001265963785 950199448 /nfs/dbraw/zinc/19/94/48/950199448.db2.gz LIJOKVGKAXVNKP-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO O=C1CC[C@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC000702640019 950337681 /nfs/dbraw/zinc/33/76/81/950337681.db2.gz ICFNBPJXXZRJTK-NVXWUHKLSA-N 1 3 303.406 0.492 20 0 DCADHO O=C1CC[C@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000702640019 950337695 /nfs/dbraw/zinc/33/76/95/950337695.db2.gz ICFNBPJXXZRJTK-NVXWUHKLSA-N 1 3 303.406 0.492 20 0 DCADHO C[N@@H+](CCO)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001490250095 950458594 /nfs/dbraw/zinc/45/85/94/950458594.db2.gz BDNGNZRPCOLYRT-OAHLLOKOSA-N 1 3 303.422 0.629 20 0 DCADHO C[N@H+](CCO)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001490250095 950458590 /nfs/dbraw/zinc/45/85/90/950458590.db2.gz BDNGNZRPCOLYRT-OAHLLOKOSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCN(C1CC1)[C@H]1CCNC1=O)[NH+](C)C ZINC001490376392 950610675 /nfs/dbraw/zinc/61/06/75/950610675.db2.gz JSJUIUMRNVQHLX-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CO)[C@H]1C ZINC001365416881 951101415 /nfs/dbraw/zinc/10/14/15/951101415.db2.gz VSFLLHNTAKMOFS-ZNMIVQPWSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CO)[C@H]1C ZINC001365416881 951101424 /nfs/dbraw/zinc/10/14/24/951101424.db2.gz VSFLLHNTAKMOFS-ZNMIVQPWSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001365821313 951581013 /nfs/dbraw/zinc/58/10/13/951581013.db2.gz PVWXTDNGGXILEY-MELADBBJSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001411660091 952364859 /nfs/dbraw/zinc/36/48/59/952364859.db2.gz ANVWDOMZEZLDCW-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO O=C(NCCCCCC1CC[NH2+]CC1)NC[C@H]1CNCCO1 ZINC001335568641 952557743 /nfs/dbraw/zinc/55/77/43/952557743.db2.gz POLVVEGPAIENCK-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)[NH2+]C[C@H](O)CN1CCN(C)CC1 ZINC001338466563 953016065 /nfs/dbraw/zinc/01/60/65/953016065.db2.gz JIONGDBWLRQVLH-IRXDYDNUSA-N 1 3 312.502 0.305 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)Cc1c[nH]cn1 ZINC001276245262 953028633 /nfs/dbraw/zinc/02/86/33/953028633.db2.gz CQGOVFXRPRWGTQ-ZDUSSCGKSA-N 1 3 317.397 0.169 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cnoc3)C[C@H]2CC1 ZINC001276253869 953036573 /nfs/dbraw/zinc/03/65/73/953036573.db2.gz NWAIBYGJJDXDMG-GASCZTMLSA-N 1 3 306.410 0.907 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cnoc3)C[C@H]2CC1 ZINC001276253869 953036577 /nfs/dbraw/zinc/03/65/77/953036577.db2.gz NWAIBYGJJDXDMG-GASCZTMLSA-N 1 3 306.410 0.907 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001490852703 953124409 /nfs/dbraw/zinc/12/44/09/953124409.db2.gz WQLVNYKOQCQDGG-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)C[C@H](C)O1 ZINC001340186174 953153368 /nfs/dbraw/zinc/15/33/68/953153368.db2.gz XBFCZNGLZIKVIQ-TWHJKIGZSA-N 1 3 309.454 0.975 20 0 DCADHO [NH3+]CCN1CCC[C@H](C(=O)Nc2ccc3c(c2)CNC3)C1=O ZINC001341779168 953250501 /nfs/dbraw/zinc/25/05/01/953250501.db2.gz WLNDMVSEPHQLFG-CQSZACIVSA-N 1 3 302.378 0.426 20 0 DCADHO C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001342265435 953279756 /nfs/dbraw/zinc/27/97/56/953279756.db2.gz AEEHQNWWCNIEJM-RYUDHWBXSA-N 1 3 314.817 0.472 20 0 DCADHO CN1CCN(C)CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001342914861 953314556 /nfs/dbraw/zinc/31/45/56/953314556.db2.gz SMGFWBMHKVGSOO-KRWDZBQOSA-N 1 3 318.465 0.652 20 0 DCADHO CN(C)Cc1cccc(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)c1 ZINC001343392018 953343760 /nfs/dbraw/zinc/34/37/60/953343760.db2.gz OLRUPWOPPBODCI-HNNXBMFYSA-N 1 3 318.421 0.884 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCOCC1CC1 ZINC001282477574 953601983 /nfs/dbraw/zinc/60/19/83/953601983.db2.gz KIPCZTXZFUMXDJ-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001366097188 953680527 /nfs/dbraw/zinc/68/05/27/953680527.db2.gz DYUTWSRPBRFSMY-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366100744 953685277 /nfs/dbraw/zinc/68/52/77/953685277.db2.gz ZNUPSSVBHHQYQH-DZGCQCFKSA-N 1 3 312.458 0.288 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001366218069 953842791 /nfs/dbraw/zinc/84/27/91/953842791.db2.gz SFPLHSVZAYBBEP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001366281310 953948602 /nfs/dbraw/zinc/94/86/02/953948602.db2.gz CZYCDKCTJPHZFO-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001366281310 953948611 /nfs/dbraw/zinc/94/86/11/953948611.db2.gz CZYCDKCTJPHZFO-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001366280078 953950589 /nfs/dbraw/zinc/95/05/89/953950589.db2.gz WTBJXVSQSYLPKL-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001366280078 953950595 /nfs/dbraw/zinc/95/05/95/953950595.db2.gz WTBJXVSQSYLPKL-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCN(C)C1=O ZINC001366297705 953977948 /nfs/dbraw/zinc/97/79/48/953977948.db2.gz ZIGDJGJXWUMWDF-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CCC[NH2+][C@H]1CCCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001283184416 954110117 /nfs/dbraw/zinc/11/01/17/954110117.db2.gz BABGLQWKRAYCBI-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](NC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1nncn1C ZINC001366406208 954161784 /nfs/dbraw/zinc/16/17/84/954161784.db2.gz VMMVWYPLZPWFRV-KGLIPLIRSA-N 1 3 322.457 0.656 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NCc1ccn(C)n1 ZINC001366480034 954255891 /nfs/dbraw/zinc/25/58/91/954255891.db2.gz ATFJWQCRZHNQTE-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NCc1ccn(C)n1 ZINC001366480034 954255897 /nfs/dbraw/zinc/25/58/97/954255897.db2.gz ATFJWQCRZHNQTE-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)C1=O ZINC001366510148 954301201 /nfs/dbraw/zinc/30/12/01/954301201.db2.gz HHFAHDPNQODXSF-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCCNC(=O)CC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001283758336 954585099 /nfs/dbraw/zinc/58/50/99/954585099.db2.gz XBQOFTCRQNNUPA-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001349473260 954766974 /nfs/dbraw/zinc/76/69/74/954766974.db2.gz LSSPSWUKPIVHFB-KKUMJFAQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]C/C=C\Cl)C1 ZINC001284448689 955103965 /nfs/dbraw/zinc/10/39/65/955103965.db2.gz QWKMAHFKPOULIZ-UNIPXTFRSA-N 1 3 303.834 0.490 20 0 DCADHO CC[C@H](C(=O)NCC1=CC[N@H+](CCn2cccn2)CC1)N(C)C ZINC001284977316 955381208 /nfs/dbraw/zinc/38/12/08/955381208.db2.gz UKDLPASIOIOKIK-MRXNPFEDSA-N 1 3 319.453 0.972 20 0 DCADHO CC[C@H](C(=O)NCC1=CC[N@@H+](CCn2cccn2)CC1)N(C)C ZINC001284977316 955381221 /nfs/dbraw/zinc/38/12/21/955381221.db2.gz UKDLPASIOIOKIK-MRXNPFEDSA-N 1 3 319.453 0.972 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H](C)C(=O)NC ZINC001367146904 955398284 /nfs/dbraw/zinc/39/82/84/955398284.db2.gz BWANYQXXJDSKAU-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001367323738 955644173 /nfs/dbraw/zinc/64/41/73/955644173.db2.gz KKLLTSXNISXQNA-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001367323740 955646217 /nfs/dbraw/zinc/64/62/17/955646217.db2.gz KKLLTSXNISXQNA-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H]([NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCCC1)C(N)=O ZINC001367325490 955648967 /nfs/dbraw/zinc/64/89/67/955648967.db2.gz WJWVBCQKHWEHAH-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](O)C[NH3+])cc2)CC1 ZINC001353580630 956110684 /nfs/dbraw/zinc/11/06/84/956110684.db2.gz AIIGELTUVGMKMA-OAHLLOKOSA-N 1 3 306.410 0.477 20 0 DCADHO CCCC[C@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001480531206 956132434 /nfs/dbraw/zinc/13/24/34/956132434.db2.gz WBSARTOPFAYLNH-JSGCOSHPSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001293384343 957359895 /nfs/dbraw/zinc/35/98/95/957359895.db2.gz PVNIBTIJPHKLOH-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001293384343 957359905 /nfs/dbraw/zinc/35/99/05/957359905.db2.gz PVNIBTIJPHKLOH-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCNC(=O)CN2CCCC2)C1 ZINC001294089632 957480295 /nfs/dbraw/zinc/48/02/95/957480295.db2.gz QZJIVDAYYLZKRA-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)CN2CCCC2)C1 ZINC001294089632 957480299 /nfs/dbraw/zinc/48/02/99/957480299.db2.gz QZJIVDAYYLZKRA-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367382085 957745974 /nfs/dbraw/zinc/74/59/74/957745974.db2.gz NAAIIYOUOLMTET-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367422584 957798526 /nfs/dbraw/zinc/79/85/26/957798526.db2.gz GYVAQYFUJNJXJT-JSGCOSHPSA-N 1 3 312.458 0.323 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@@H]1CCCN(CCCO)C1 ZINC001367478025 957866078 /nfs/dbraw/zinc/86/60/78/957866078.db2.gz CYCNYZJFLNHPSQ-OAGGEKHMSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@@H]1CCCN(CCCO)C1 ZINC001367478025 957866089 /nfs/dbraw/zinc/86/60/89/957866089.db2.gz CYCNYZJFLNHPSQ-OAGGEKHMSA-N 1 3 324.469 0.759 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001367489324 957884561 /nfs/dbraw/zinc/88/45/61/957884561.db2.gz SSTUMGOJYLZZGB-CABCVRRESA-N 1 3 322.457 0.350 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001446989272 1013167078 /nfs/dbraw/zinc/16/70/78/1013167078.db2.gz INYZXSRDDIRSRF-GASCZTMLSA-N 1 3 320.441 0.009 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001446989272 1013167090 /nfs/dbraw/zinc/16/70/90/1013167090.db2.gz INYZXSRDDIRSRF-GASCZTMLSA-N 1 3 320.441 0.009 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001367621681 958200151 /nfs/dbraw/zinc/20/01/51/958200151.db2.gz KZTZXWUKKWALPL-KBPBESRZSA-N 1 3 313.467 0.963 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)NC(=O)CCc1ccncn1 ZINC001367673341 958331430 /nfs/dbraw/zinc/33/14/30/958331430.db2.gz DBMHVIHCZCYNBY-GFCCVEGCSA-N 1 3 316.409 0.746 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367705210 958411224 /nfs/dbraw/zinc/41/12/24/958411224.db2.gz CFJMBAFGSSPRTP-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367705210 958411234 /nfs/dbraw/zinc/41/12/34/958411234.db2.gz CFJMBAFGSSPRTP-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3nccc3N)CC2)CC1 ZINC001361871025 958429071 /nfs/dbraw/zinc/42/90/71/958429071.db2.gz NRDNESREXJZDPB-UHFFFAOYSA-N 1 3 320.441 0.140 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001367777612 958555552 /nfs/dbraw/zinc/55/55/52/958555552.db2.gz XZWUJQCPLVKHFO-QWHCGFSZSA-N 1 3 320.437 0.591 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001367777689 958555805 /nfs/dbraw/zinc/55/58/05/958555805.db2.gz XZWUJQCPLVKHFO-STQMWFEESA-N 1 3 320.437 0.591 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001298444379 958607578 /nfs/dbraw/zinc/60/75/78/958607578.db2.gz WAQIZMKPISTSFG-PLNGDYQASA-N 1 3 322.453 0.211 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001548923735 1013183651 /nfs/dbraw/zinc/18/36/51/1013183651.db2.gz ZQZPKUKWUUJEOP-BPUTZDHNSA-N 1 3 300.406 0.877 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001367916403 958856416 /nfs/dbraw/zinc/85/64/16/958856416.db2.gz AEAVSOVQTBUASI-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H](O)CC(F)(F)F ZINC001376878529 959044842 /nfs/dbraw/zinc/04/48/42/959044842.db2.gz KYNYQFOSBFTAGZ-GHMZBOCLSA-N 1 3 313.364 0.734 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001376881487 959053736 /nfs/dbraw/zinc/05/37/36/959053736.db2.gz PSJYDTWKGOLSOC-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001368104517 959241855 /nfs/dbraw/zinc/24/18/55/959241855.db2.gz SOXRNVXZZWXDSK-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001376996915 959285118 /nfs/dbraw/zinc/28/51/18/959285118.db2.gz ANWZXDBPCDBOIW-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001376996915 959285133 /nfs/dbraw/zinc/28/51/33/959285133.db2.gz ANWZXDBPCDBOIW-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H](NCc1nncn1C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001368332704 959690740 /nfs/dbraw/zinc/69/07/40/959690740.db2.gz JDMMYBSOTAARAN-OLZOCXBDSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001368356299 959722811 /nfs/dbraw/zinc/72/28/11/959722811.db2.gz UWIIGSZJUAJBIE-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCOCC(F)F)CC[N@@H+]1C ZINC001492257300 959761491 /nfs/dbraw/zinc/76/14/91/959761491.db2.gz OYWWRIRPVBDBEZ-VXGBXAGGSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCOCC(F)F)CC[N@H+]1C ZINC001492257300 959761499 /nfs/dbraw/zinc/76/14/99/959761499.db2.gz OYWWRIRPVBDBEZ-VXGBXAGGSA-N 1 3 307.385 0.656 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001377249089 959789079 /nfs/dbraw/zinc/78/90/79/959789079.db2.gz KXXGINSORPTSLH-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001377249089 959789095 /nfs/dbraw/zinc/78/90/95/959789095.db2.gz KXXGINSORPTSLH-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001368424224 959844222 /nfs/dbraw/zinc/84/42/22/959844222.db2.gz RVJIXQHFWOSFER-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001377284286 959857952 /nfs/dbraw/zinc/85/79/52/959857952.db2.gz HSHKDWOUYXUWKE-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001368500426 959945323 /nfs/dbraw/zinc/94/53/23/959945323.db2.gz LHBHZQREWIAPIO-MQYQWHSLSA-N 1 3 310.442 0.077 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001368514839 959966595 /nfs/dbraw/zinc/96/65/95/959966595.db2.gz WVNKPBLYSABFEY-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001368514839 959966604 /nfs/dbraw/zinc/96/66/04/959966604.db2.gz WVNKPBLYSABFEY-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@@H](C(=O)NCC[N@H+](CC)C[C@@H]1CCc2ncnn21)N(C)C ZINC001377359350 959972268 /nfs/dbraw/zinc/97/22/68/959972268.db2.gz FIIALVZXYNYVRQ-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@@H](C(=O)NCC[N@@H+](CC)C[C@@H]1CCc2ncnn21)N(C)C ZINC001377359350 959972272 /nfs/dbraw/zinc/97/22/72/959972272.db2.gz FIIALVZXYNYVRQ-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1CCc1ccnn1C ZINC001377421330 960068845 /nfs/dbraw/zinc/06/88/45/960068845.db2.gz YRXUNMMGFNPXBF-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1CCc1ccnn1C ZINC001377421330 960068856 /nfs/dbraw/zinc/06/88/56/960068856.db2.gz YRXUNMMGFNPXBF-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368622813 960098448 /nfs/dbraw/zinc/09/84/48/960098448.db2.gz NIRSEGVYUHVTES-MRXNPFEDSA-N 1 3 308.426 0.941 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001368641002 960112669 /nfs/dbraw/zinc/11/26/69/960112669.db2.gz KUEJLWUCCCEMGT-MJBXVCDLSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)NCC1CC1 ZINC001368648541 960120864 /nfs/dbraw/zinc/12/08/64/960120864.db2.gz FJHJGXNTCRIPGU-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCCCC1 ZINC001368658088 960130982 /nfs/dbraw/zinc/13/09/82/960130982.db2.gz RZACBNSLXXPVFN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC ZINC001368667408 960139377 /nfs/dbraw/zinc/13/93/77/960139377.db2.gz MMKGBWVYLQLGHR-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC ZINC001368667408 960139381 /nfs/dbraw/zinc/13/93/81/960139381.db2.gz MMKGBWVYLQLGHR-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001368670668 960142824 /nfs/dbraw/zinc/14/28/24/960142824.db2.gz XXIHPYKEJNQJLY-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001368795783 960281741 /nfs/dbraw/zinc/28/17/41/960281741.db2.gz IWFFNYWGERJSNR-SOUVJXGZSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001368795783 960281750 /nfs/dbraw/zinc/28/17/50/960281750.db2.gz IWFFNYWGERJSNR-SOUVJXGZSA-N 1 3 313.442 0.011 20 0 DCADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](C[C@H](C)OC)CC1)N(C)C ZINC001377566208 960288405 /nfs/dbraw/zinc/28/84/05/960288405.db2.gz LWKFCLBEAAEQKO-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001368809281 960302229 /nfs/dbraw/zinc/30/22/29/960302229.db2.gz QKWOFYNBYYNHMK-HUUCEWRRSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001368809281 960302239 /nfs/dbraw/zinc/30/22/39/960302239.db2.gz QKWOFYNBYYNHMK-HUUCEWRRSA-N 1 3 313.442 0.012 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001377597265 960337536 /nfs/dbraw/zinc/33/75/36/960337536.db2.gz JMNOQTSSXKHVIU-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377597265 960337546 /nfs/dbraw/zinc/33/75/46/960337546.db2.gz JMNOQTSSXKHVIU-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC(N)=O)CC1 ZINC001377610851 960353050 /nfs/dbraw/zinc/35/30/50/960353050.db2.gz OPTVYGRHSXPRAW-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO O=C(CN1CCCC1)NCC[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001377719610 960497980 /nfs/dbraw/zinc/49/79/80/960497980.db2.gz LENUPRNUFNIEMT-OAHLLOKOSA-N 1 3 322.453 0.143 20 0 DCADHO O=C(CN1CCCC1)NCC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001377719610 960497989 /nfs/dbraw/zinc/49/79/89/960497989.db2.gz LENUPRNUFNIEMT-OAHLLOKOSA-N 1 3 322.453 0.143 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC001363156459 960500939 /nfs/dbraw/zinc/50/09/39/960500939.db2.gz JPCPXBTZDRIBJY-FZKCQIBNSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001378305669 960542498 /nfs/dbraw/zinc/54/24/98/960542498.db2.gz VDBPPCKSECYEJM-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377791905 960669059 /nfs/dbraw/zinc/66/90/59/960669059.db2.gz YMMQTDQYGCBGIS-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377791905 960669073 /nfs/dbraw/zinc/66/90/73/960669073.db2.gz YMMQTDQYGCBGIS-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC001378440422 960760890 /nfs/dbraw/zinc/76/08/90/960760890.db2.gz NPEYIJSRSXCHGE-KBUPBQIOSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)NCc1cnnn1C ZINC001377833833 960766610 /nfs/dbraw/zinc/76/66/10/960766610.db2.gz JUXCVWVSFQBMGT-QWHCGFSZSA-N 1 3 322.457 0.672 20 0 DCADHO C[C@@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001377834054 960767423 /nfs/dbraw/zinc/76/74/23/960767423.db2.gz APURIWFBUIMVIM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001378607262 961114863 /nfs/dbraw/zinc/11/48/63/961114863.db2.gz AKKIMUUPHKRUEY-ZFWWWQNUSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001430197421 1013233511 /nfs/dbraw/zinc/23/35/11/1013233511.db2.gz OPKWYEOSUWXYGM-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001430197421 1013233517 /nfs/dbraw/zinc/23/35/17/1013233517.db2.gz OPKWYEOSUWXYGM-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCn1ccc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001378655084 961202965 /nfs/dbraw/zinc/20/29/65/961202965.db2.gz YEVNAGOAJNSQRT-KBPBESRZSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001378655084 961202972 /nfs/dbraw/zinc/20/29/72/961202972.db2.gz YEVNAGOAJNSQRT-KBPBESRZSA-N 1 3 307.442 0.697 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)Cc3ccccc3)C[C@@H]2[NH3+])cn1 ZINC001549033616 1013239025 /nfs/dbraw/zinc/23/90/25/1013239025.db2.gz YHUYXSMCWRWSNP-JYJNAYRXSA-N 1 3 313.405 0.243 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001430203805 1013239983 /nfs/dbraw/zinc/23/99/83/1013239983.db2.gz BLLAMKDJYBVCNB-CQSZACIVSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001378781646 961465804 /nfs/dbraw/zinc/46/58/04/961465804.db2.gz QQKQJGCCQTZXBT-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001378204130 961658378 /nfs/dbraw/zinc/65/83/78/961658378.db2.gz WKJSEEAZYSPQSZ-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nncn1C ZINC001378899359 961676497 /nfs/dbraw/zinc/67/64/97/961676497.db2.gz BUHXYSVXLNWWTD-CHWSQXEVSA-N 1 3 308.430 0.093 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001378932374 961721789 /nfs/dbraw/zinc/72/17/89/961721789.db2.gz NQWUCSBBYDVNMG-CQSZACIVSA-N 1 3 312.458 0.513 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001378932374 961721799 /nfs/dbraw/zinc/72/17/99/961721799.db2.gz NQWUCSBBYDVNMG-CQSZACIVSA-N 1 3 312.458 0.513 20 0 DCADHO CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001378930952 961723065 /nfs/dbraw/zinc/72/30/65/961723065.db2.gz XZNIWVOWYOSBMX-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001379885647 962211857 /nfs/dbraw/zinc/21/18/57/962211857.db2.gz ZANNXFVXMKARHX-OLZOCXBDSA-N 1 3 321.412 0.781 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001379899509 962237676 /nfs/dbraw/zinc/23/76/76/962237676.db2.gz UCXQUQBMNSEJMD-GXTWGEPZSA-N 1 3 324.469 0.480 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001447237615 1013327214 /nfs/dbraw/zinc/32/72/14/1013327214.db2.gz LHBOIHHQZGUHNB-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001430307743 1013341200 /nfs/dbraw/zinc/34/12/00/1013341200.db2.gz OCOXCKSOHIVUGC-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001430307743 1013341209 /nfs/dbraw/zinc/34/12/09/1013341209.db2.gz OCOXCKSOHIVUGC-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1cc2ccccc2o1 ZINC001379240676 962444707 /nfs/dbraw/zinc/44/47/07/962444707.db2.gz QXCOCOMZUWRVHY-CQSZACIVSA-N 1 3 319.405 0.951 20 0 DCADHO CC(C)(C)[C@H](CNCC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001380096436 962663571 /nfs/dbraw/zinc/66/35/71/962663571.db2.gz RMPGNCAILBOTEB-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001379373444 962762959 /nfs/dbraw/zinc/76/29/59/962762959.db2.gz PRBUEMNXEJTXQG-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001379373444 962762974 /nfs/dbraw/zinc/76/29/74/962762974.db2.gz PRBUEMNXEJTXQG-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001364318161 962886712 /nfs/dbraw/zinc/88/67/12/962886712.db2.gz VWCUPPGZYZIICI-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001364318161 962886721 /nfs/dbraw/zinc/88/67/21/962886721.db2.gz VWCUPPGZYZIICI-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001380271288 962963763 /nfs/dbraw/zinc/96/37/63/962963763.db2.gz MGDHCMAVJUSRKP-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC1CCCC1 ZINC001380290781 963001688 /nfs/dbraw/zinc/00/16/88/963001688.db2.gz NUSVNFMKMRNXKQ-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1)C(N)=O ZINC001380326512 963040766 /nfs/dbraw/zinc/04/07/66/963040766.db2.gz FFSDUVXKJBDMLM-JSGCOSHPSA-N 1 3 322.453 0.221 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CCCC1 ZINC001380330727 963044682 /nfs/dbraw/zinc/04/46/82/963044682.db2.gz XNOQRADNKXUBHI-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO Cn1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001380396337 963154229 /nfs/dbraw/zinc/15/42/29/963154229.db2.gz DWYFDYHQNKPAFL-WBVHZDCISA-N 1 3 319.453 0.843 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@H]1C ZINC001379571716 963198522 /nfs/dbraw/zinc/19/85/22/963198522.db2.gz PWKZGNAVLXVZQM-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001379591937 963230858 /nfs/dbraw/zinc/23/08/58/963230858.db2.gz GNDHXAGYSSPVGQ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NCC2CC2)CN1C(=O)CC[NH+](C)C ZINC001379593400 963235346 /nfs/dbraw/zinc/23/53/46/963235346.db2.gz HKFKVOCOCZBSDQ-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001380913969 963678732 /nfs/dbraw/zinc/67/87/32/963678732.db2.gz JIBORMNYFPEUQX-CABCVRRESA-N 1 3 313.442 0.180 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001447526668 1013451590 /nfs/dbraw/zinc/45/15/90/1013451590.db2.gz OENZRWDRJONADY-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001447526668 1013451595 /nfs/dbraw/zinc/45/15/95/1013451595.db2.gz OENZRWDRJONADY-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001381211381 963893389 /nfs/dbraw/zinc/89/33/89/963893389.db2.gz QPFOOPGOTFRKKQ-MELADBBJSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001381388885 964044812 /nfs/dbraw/zinc/04/48/12/964044812.db2.gz AVJSVWKFZVQCHL-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCn1cccn1 ZINC001368956882 964190456 /nfs/dbraw/zinc/19/04/56/964190456.db2.gz IHJCYXFERLPBLX-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCn1cccn1 ZINC001368956882 964190462 /nfs/dbraw/zinc/19/04/62/964190462.db2.gz IHJCYXFERLPBLX-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001447617504 1013486470 /nfs/dbraw/zinc/48/64/70/1013486470.db2.gz KOQUEJHSZGJUEW-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001375559668 964550302 /nfs/dbraw/zinc/55/03/02/964550302.db2.gz JAHWKBYAVPJYGF-SHTZXODSSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001369252367 964602295 /nfs/dbraw/zinc/60/22/95/964602295.db2.gz PHVUHFOJVMBEDH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001369252367 964602300 /nfs/dbraw/zinc/60/23/00/964602300.db2.gz PHVUHFOJVMBEDH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(CC)CC ZINC001373820666 964679034 /nfs/dbraw/zinc/67/90/34/964679034.db2.gz KMSYQEDAQQBNFD-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]CC(=O)NC2CC2)CCCC1)N(C)C ZINC001373852808 964717714 /nfs/dbraw/zinc/71/77/14/964717714.db2.gz WJIDEEJWTHWCRW-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001373878386 964745355 /nfs/dbraw/zinc/74/53/55/964745355.db2.gz XHHQXPHGBCBSQQ-PBHICJAKSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(=O)NC)CC1)N(C)C ZINC001373924781 964786675 /nfs/dbraw/zinc/78/66/75/964786675.db2.gz ZPIKYSMIHXVRBA-AAVRWANBSA-N 1 3 312.458 0.478 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C ZINC001369391710 964883545 /nfs/dbraw/zinc/88/35/45/964883545.db2.gz NFYSTWDZIBKZLH-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001369395177 964890390 /nfs/dbraw/zinc/89/03/90/964890390.db2.gz RQUXWYZKVXNTED-UONOGXRCSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374042046 964930011 /nfs/dbraw/zinc/93/00/11/964930011.db2.gz KQTITHHLXNOLJS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374042046 964930019 /nfs/dbraw/zinc/93/00/19/964930019.db2.gz KQTITHHLXNOLJS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374042041 964930383 /nfs/dbraw/zinc/93/03/83/964930383.db2.gz KQTITHHLXNOLJS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374042041 964930394 /nfs/dbraw/zinc/93/03/94/964930394.db2.gz KQTITHHLXNOLJS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)[NH+](C)C ZINC001369553735 965167842 /nfs/dbraw/zinc/16/78/42/965167842.db2.gz LYIDSNZVAUDMCC-AAEUAGOBSA-N 1 3 300.447 0.178 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1)N(C)C ZINC001376086976 965171535 /nfs/dbraw/zinc/17/15/35/965171535.db2.gz CANMFSQFSHNAJS-HIFRSBDPSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1)N(C)C ZINC001376086976 965171539 /nfs/dbraw/zinc/17/15/39/965171539.db2.gz CANMFSQFSHNAJS-HIFRSBDPSA-N 1 3 303.422 0.485 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001374244431 965178938 /nfs/dbraw/zinc/17/89/38/965178938.db2.gz MRMHVPJHAWNSDU-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001374244431 965178947 /nfs/dbraw/zinc/17/89/47/965178947.db2.gz MRMHVPJHAWNSDU-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC001369620983 965222307 /nfs/dbraw/zinc/22/23/07/965222307.db2.gz MILCRWGTWXZCSF-UHFFFAOYSA-N 1 3 307.442 0.839 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001374376583 965323418 /nfs/dbraw/zinc/32/34/18/965323418.db2.gz HTOMEFXBPAGWDQ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)[C@@H](C)C1 ZINC001374388864 965332282 /nfs/dbraw/zinc/33/22/82/965332282.db2.gz WVJIDGLCQSHKLV-LSDHHAIUSA-N 1 3 322.457 0.445 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001376325460 965522196 /nfs/dbraw/zinc/52/21/96/965522196.db2.gz QQGKQMLAJHIKCN-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nnc(CN[C@@H](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001376332037 965529593 /nfs/dbraw/zinc/52/95/93/965529593.db2.gz RBQMXTZSSLODEM-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO C[C@H]([NH2+]CCn1cncn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376347885 965550882 /nfs/dbraw/zinc/55/08/82/965550882.db2.gz PLMANCVVLMNHSO-LSDHHAIUSA-N 1 3 320.441 0.201 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCN1CCC([NH2+]CCF)CC1 ZINC001376416674 965632489 /nfs/dbraw/zinc/63/24/89/965632489.db2.gz SYDBEAPFAFPBAT-CQSZACIVSA-N 1 3 300.422 0.220 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001374672200 965735908 /nfs/dbraw/zinc/73/59/08/965735908.db2.gz NYQPEGYXCSIZGA-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001374729256 965824192 /nfs/dbraw/zinc/82/41/92/965824192.db2.gz FFZFMAYPYDCBCB-UHFFFAOYSA-N 1 3 321.425 0.320 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001374729256 965824199 /nfs/dbraw/zinc/82/41/99/965824199.db2.gz FFZFMAYPYDCBCB-UHFFFAOYSA-N 1 3 321.425 0.320 20 0 DCADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001376613020 965892704 /nfs/dbraw/zinc/89/27/04/965892704.db2.gz LXRHMOISAFZOPM-GDBMZVCRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001370263564 965932601 /nfs/dbraw/zinc/93/26/01/965932601.db2.gz INXREXCXKICWCE-HOTGVXAUSA-N 1 3 321.469 0.991 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001370263742 965935321 /nfs/dbraw/zinc/93/53/21/965935321.db2.gz JGWCDDDQCCTHTM-DZGCQCFKSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H](CNCC(=O)NCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001374811418 965962068 /nfs/dbraw/zinc/96/20/68/965962068.db2.gz PMEIKERBDUAECW-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001376757214 966126382 /nfs/dbraw/zinc/12/63/82/966126382.db2.gz QJEHEQFDJYWPFI-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001376757214 966126386 /nfs/dbraw/zinc/12/63/86/966126386.db2.gz QJEHEQFDJYWPFI-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001374941074 966162117 /nfs/dbraw/zinc/16/21/17/966162117.db2.gz SUISDMDQUVNYEX-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001374978104 966191067 /nfs/dbraw/zinc/19/10/67/966191067.db2.gz GNLFASZMEDWPGZ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001430626736 1013632354 /nfs/dbraw/zinc/63/23/54/1013632354.db2.gz GQYFAIBDNQTNFO-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)C1=O ZINC001370519488 966207048 /nfs/dbraw/zinc/20/70/48/966207048.db2.gz QBJWKUGONJEEHO-KBUPBQIOSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001447909966 1013643105 /nfs/dbraw/zinc/64/31/05/1013643105.db2.gz PLCIILWLBNIOCE-OLZOCXBDSA-N 1 3 314.474 0.535 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001370650267 966331289 /nfs/dbraw/zinc/33/12/89/966331289.db2.gz PCEQDGKVZXAFES-RFQIPJPRSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001370684861 966375289 /nfs/dbraw/zinc/37/52/89/966375289.db2.gz YBOJZXFUKUITHJ-SCRDCRAPSA-N 1 3 308.430 0.375 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001447935492 1013657337 /nfs/dbraw/zinc/65/73/37/1013657337.db2.gz RKUKMVGTLMYHEL-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370906454 966578476 /nfs/dbraw/zinc/57/84/76/966578476.db2.gz GOBIJMCGFDGYCC-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370906454 966578482 /nfs/dbraw/zinc/57/84/82/966578482.db2.gz GOBIJMCGFDGYCC-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H](C(=O)N(C)C1CCC([NH2+]CC(=O)NC)CC1)N(C)C ZINC001447943013 1013663719 /nfs/dbraw/zinc/66/37/19/1013663719.db2.gz SDGOXRKIJACOTB-JXQTWKCFSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001370946054 966609592 /nfs/dbraw/zinc/60/95/92/966609592.db2.gz DZEMJCGUKMMUHM-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21)N(C)C ZINC001371035867 966685268 /nfs/dbraw/zinc/68/52/68/966685268.db2.gz RBMOTGWPXNNXTH-AALSBFMBSA-N 1 3 309.454 0.656 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21)N(C)C ZINC001371035867 966685274 /nfs/dbraw/zinc/68/52/74/966685274.db2.gz RBMOTGWPXNNXTH-AALSBFMBSA-N 1 3 309.454 0.656 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001371205381 966811858 /nfs/dbraw/zinc/81/18/58/966811858.db2.gz SNTHYWPDGUGTIV-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001382017138 966868502 /nfs/dbraw/zinc/86/85/02/966868502.db2.gz IQBAJKQABCNBBB-IUODEOHRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCc1cnn(C)c1 ZINC001382089039 966929047 /nfs/dbraw/zinc/92/90/47/966929047.db2.gz JAGNMDOFSWEQPO-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001371368770 966938448 /nfs/dbraw/zinc/93/84/48/966938448.db2.gz DGVMTNVQXBGDEF-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001371389888 966957316 /nfs/dbraw/zinc/95/73/16/966957316.db2.gz VLOLICBHMGGCFS-GFCCVEGCSA-N 1 3 306.410 0.202 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382165576 966998256 /nfs/dbraw/zinc/99/82/56/966998256.db2.gz VFWWBSLCLQTPII-TZMCWYRMSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382165576 966998264 /nfs/dbraw/zinc/99/82/64/966998264.db2.gz VFWWBSLCLQTPII-TZMCWYRMSA-N 1 3 307.442 0.617 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001371509905 967055909 /nfs/dbraw/zinc/05/59/09/967055909.db2.gz JLBGMFJFLFORIZ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001382203624 967061502 /nfs/dbraw/zinc/06/15/02/967061502.db2.gz DASWEXUSQFNJLW-HYVNUMGLSA-N 1 3 319.449 0.902 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001382203624 967061516 /nfs/dbraw/zinc/06/15/16/967061516.db2.gz DASWEXUSQFNJLW-HYVNUMGLSA-N 1 3 319.449 0.902 20 0 DCADHO CN(CC(=O)NC[C@@H](CO)[NH2+]CCC(F)(F)F)C1CCC1 ZINC001382214942 967078143 /nfs/dbraw/zinc/07/81/43/967078143.db2.gz QNFQSTOVQOFPDN-JTQLQIEISA-N 1 3 311.348 0.490 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001382270558 967147707 /nfs/dbraw/zinc/14/77/07/967147707.db2.gz CQTHFLGXQHWESG-SJORKVTESA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001382270558 967147711 /nfs/dbraw/zinc/14/77/11/967147711.db2.gz CQTHFLGXQHWESG-SJORKVTESA-N 1 3 319.449 0.822 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001371677417 967236020 /nfs/dbraw/zinc/23/60/20/967236020.db2.gz NTTDZFGJRIZBSY-KGLIPLIRSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001371677417 967236030 /nfs/dbraw/zinc/23/60/30/967236030.db2.gz NTTDZFGJRIZBSY-KGLIPLIRSA-N 1 3 303.422 0.581 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001382378170 967289674 /nfs/dbraw/zinc/28/96/74/967289674.db2.gz OPSHKHQSQGFHMK-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001382378170 967289681 /nfs/dbraw/zinc/28/96/81/967289681.db2.gz OPSHKHQSQGFHMK-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C[C@H]1CCCCO1 ZINC001382461753 967404954 /nfs/dbraw/zinc/40/49/54/967404954.db2.gz CBKVXFMGZOYKCS-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001382538326 967478878 /nfs/dbraw/zinc/47/88/78/967478878.db2.gz WNYHGCSIWBMUCK-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001382538326 967478882 /nfs/dbraw/zinc/47/88/82/967478882.db2.gz WNYHGCSIWBMUCK-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001382576526 967512709 /nfs/dbraw/zinc/51/27/09/967512709.db2.gz FIQFQBUQVUFONN-XUJLQICISA-N 1 3 324.469 0.384 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)CCC1 ZINC001382578302 967515126 /nfs/dbraw/zinc/51/51/26/967515126.db2.gz MZVZLQIVBYZWRZ-UHFFFAOYSA-N 1 3 319.453 0.983 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001382578201 967515308 /nfs/dbraw/zinc/51/53/08/967515308.db2.gz MJVNMJYYUDTDLP-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001371985172 967517220 /nfs/dbraw/zinc/51/72/20/967517220.db2.gz KUNUBSLDBDLCDE-OAHLLOKOSA-N 1 3 312.458 0.195 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC001382587864 967522957 /nfs/dbraw/zinc/52/29/57/967522957.db2.gz FEWHRVVBNPRKTP-UHFFFAOYSA-N 1 3 321.469 0.883 20 0 DCADHO CN(C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001382616089 967544167 /nfs/dbraw/zinc/54/41/67/967544167.db2.gz WVRYRBSMLNHINT-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001372041456 967593111 /nfs/dbraw/zinc/59/31/11/967593111.db2.gz HJEUHGRURSDUGK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001372041456 967593117 /nfs/dbraw/zinc/59/31/17/967593117.db2.gz HJEUHGRURSDUGK-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CCc1ccnn1C ZINC001448044101 1013733484 /nfs/dbraw/zinc/73/34/84/1013733484.db2.gz OCHSGHQIVYQWCO-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CCc1ccnn1C ZINC001448044101 1013733489 /nfs/dbraw/zinc/73/34/89/1013733489.db2.gz OCHSGHQIVYQWCO-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001372045348 967596791 /nfs/dbraw/zinc/59/67/91/967596791.db2.gz XVUGBYXFDAZQPF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C(=O)CN1CCCC1 ZINC001382981236 967822641 /nfs/dbraw/zinc/82/26/41/967822641.db2.gz IUTSXCDKWZMRQH-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C(=O)CN1CCCC1 ZINC001382981236 967822657 /nfs/dbraw/zinc/82/26/57/967822657.db2.gz IUTSXCDKWZMRQH-RRFJBIMHSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)C(=O)N(C)C ZINC001372948556 968557389 /nfs/dbraw/zinc/55/73/89/968557389.db2.gz PAORAZRWTTXAOJ-CYBMUJFWSA-N 1 3 314.474 0.489 20 0 DCADHO CC(C)NC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373250261 968853884 /nfs/dbraw/zinc/85/38/84/968853884.db2.gz ZBYPRGCEEPWUHI-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373250261 968853887 /nfs/dbraw/zinc/85/38/87/968853887.db2.gz ZBYPRGCEEPWUHI-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+](CCn1cccn1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373296976 968911670 /nfs/dbraw/zinc/91/16/70/968911670.db2.gz CQQMQYPNGBYGTJ-AWEZNQCLSA-N 1 3 316.409 0.629 20 0 DCADHO C[N@@H+](CCn1cccn1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373296976 968911673 /nfs/dbraw/zinc/91/16/73/968911673.db2.gz CQQMQYPNGBYGTJ-AWEZNQCLSA-N 1 3 316.409 0.629 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001448582830 1013957382 /nfs/dbraw/zinc/95/73/82/1013957382.db2.gz GMLAAHKIKDWAGP-JSGCOSHPSA-N 1 3 324.469 0.289 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001448948555 1014105011 /nfs/dbraw/zinc/10/50/11/1014105011.db2.gz UVENTBUDXRXOLW-CVEARBPZSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001448948555 1014105014 /nfs/dbraw/zinc/10/50/14/1014105014.db2.gz UVENTBUDXRXOLW-CVEARBPZSA-N 1 3 305.422 0.513 20 0 DCADHO C[C@@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)CCC[NH+](C)C ZINC001448972579 1014112788 /nfs/dbraw/zinc/11/27/88/1014112788.db2.gz AJIWYIXSULFFAG-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001448979514 1014116504 /nfs/dbraw/zinc/11/65/04/1014116504.db2.gz JJTHCYHDBRWSKI-UKRRQHHQSA-N 1 3 307.442 0.759 20 0 DCADHO Cn1ccc(CNC[C@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001449061231 1014162091 /nfs/dbraw/zinc/16/20/91/1014162091.db2.gz QLXAZDIHKMBIGP-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001522641373 1014268404 /nfs/dbraw/zinc/26/84/04/1014268404.db2.gz SXXTWRLDGXKXRQ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001522641373 1014268415 /nfs/dbraw/zinc/26/84/15/1014268415.db2.gz SXXTWRLDGXKXRQ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001522694146 1014304852 /nfs/dbraw/zinc/30/48/52/1014304852.db2.gz BWMLWZXSHHSIOR-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001522694146 1014304866 /nfs/dbraw/zinc/30/48/66/1014304866.db2.gz BWMLWZXSHHSIOR-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001528478268 1014307115 /nfs/dbraw/zinc/30/71/15/1014307115.db2.gz SAJQPCPNYKSJES-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001528478268 1014307127 /nfs/dbraw/zinc/30/71/27/1014307127.db2.gz SAJQPCPNYKSJES-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)C[C@H]1n1ccnn1 ZINC001549606497 1014346391 /nfs/dbraw/zinc/34/63/91/1014346391.db2.gz MHZKADIWLWRIHX-BZUAXINKSA-N 1 3 306.458 0.939 20 0 DCADHO CN(C)[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1n1ccnn1 ZINC001549606497 1014346402 /nfs/dbraw/zinc/34/64/02/1014346402.db2.gz MHZKADIWLWRIHX-BZUAXINKSA-N 1 3 306.458 0.939 20 0 DCADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2CC[NH2+]C23CCC3)N(C)C1 ZINC001549615370 1014351107 /nfs/dbraw/zinc/35/11/07/1014351107.db2.gz AKTAGOUTCNVGSF-MCIONIFRSA-N 1 3 310.442 0.632 20 0 DCADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001449381594 1014448303 /nfs/dbraw/zinc/44/83/03/1014448303.db2.gz CWUIFAGTVCRSTJ-UHFFFAOYSA-N 1 3 319.453 0.983 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CC[C@@H](C)C1 ZINC001449394588 1014458155 /nfs/dbraw/zinc/45/81/55/1014458155.db2.gz WPTVOKCLMQXPBT-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CC[C@@H](C)C1 ZINC001449394588 1014458161 /nfs/dbraw/zinc/45/81/61/1014458161.db2.gz WPTVOKCLMQXPBT-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H]1[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@@H+]1C ZINC001549797766 1014460981 /nfs/dbraw/zinc/46/09/81/1014460981.db2.gz VNWDVXINKYFXFS-CVEARBPZSA-N 1 3 308.470 0.423 20 0 DCADHO CC[C@H]1[C@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@H+]1C ZINC001549797766 1014460986 /nfs/dbraw/zinc/46/09/86/1014460986.db2.gz VNWDVXINKYFXFS-CVEARBPZSA-N 1 3 308.470 0.423 20 0 DCADHO CC[C@H](C(=O)NCCN(CC)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001449437011 1014477775 /nfs/dbraw/zinc/47/77/75/1014477775.db2.gz VNWFHKSMDYCLKU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001550061467 1014541639 /nfs/dbraw/zinc/54/16/39/1014541639.db2.gz VRYFEGRKSSLVTL-ZIAGYGMSSA-N 1 3 317.368 0.585 20 0 DCADHO C[C@H](CC(=O)N1CC[C@H](n2cc(CN)nn2)C1)C1CC[NH2+]CC1 ZINC001550097548 1014568166 /nfs/dbraw/zinc/56/81/66/1014568166.db2.gz YHKGTRIRPTVQCA-DOMZBBRYSA-N 1 3 320.441 0.536 20 0 DCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001550121864 1014587252 /nfs/dbraw/zinc/58/72/52/1014587252.db2.gz FFHANCGGZQMHOZ-CABCVRRESA-N 1 3 318.425 0.511 20 0 DCADHO CCC[C@@](C)([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204909 1014628848 /nfs/dbraw/zinc/62/88/48/1014628848.db2.gz UTDRQTNSWPSPKL-MRXNPFEDSA-N 1 3 324.469 0.836 20 0 DCADHO CC[NH2+][C@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204160 1014629062 /nfs/dbraw/zinc/62/90/62/1014629062.db2.gz SLBGADKJRUADJN-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO [NH3+][C@@H]1COCC[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550290233 1014656262 /nfs/dbraw/zinc/65/62/62/1014656262.db2.gz XUOUCAUSANMYKE-RBSFLKMASA-N 1 3 304.394 0.116 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCN(C4CCOCC4)C3=O)C[C@H]2C1 ZINC001550542321 1014756420 /nfs/dbraw/zinc/75/64/20/1014756420.db2.gz PHEHQIDIOAKLNF-IIAWOOMASA-N 1 3 307.438 0.650 20 0 DCADHO C[N@H+]1CC[C@@H]2CN([C@@H]3CCN(C4CCOCC4)C3=O)C[C@H]2C1 ZINC001550542321 1014756435 /nfs/dbraw/zinc/75/64/35/1014756435.db2.gz PHEHQIDIOAKLNF-IIAWOOMASA-N 1 3 307.438 0.650 20 0 DCADHO CN1[C@H]2CN(C(=O)NCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C[C@H]1CO ZINC001550750302 1014835541 /nfs/dbraw/zinc/83/55/41/1014835541.db2.gz JEIOJVAKKJIUFD-VXZLTAEBSA-N 1 3 322.453 0.223 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC001550980037 1014927391 /nfs/dbraw/zinc/92/73/91/1014927391.db2.gz BYPLZALLCZMECD-HUUCEWRRSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001550980037 1014927399 /nfs/dbraw/zinc/92/73/99/1014927399.db2.gz BYPLZALLCZMECD-HUUCEWRRSA-N 1 3 310.442 0.585 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)CN1CCCC1 ZINC001383078798 984659223 /nfs/dbraw/zinc/65/92/23/984659223.db2.gz CEJNJHBMXVBOKP-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001383285864 984750914 /nfs/dbraw/zinc/75/09/14/984750914.db2.gz CLEZYHUAQAGXKS-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383717019 985037102 /nfs/dbraw/zinc/03/71/02/985037102.db2.gz LYBCPDUMTNGFNU-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383717019 985037114 /nfs/dbraw/zinc/03/71/14/985037114.db2.gz LYBCPDUMTNGFNU-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CN1[C@H]2CN(C(=O)NC3CCC4(C[C@@H]4[NH3+])CC3)C[C@H]2C[C@H]1CO ZINC001551557142 1015136920 /nfs/dbraw/zinc/13/69/20/1015136920.db2.gz DPLHAAUNVYHONA-BTWSBEGGSA-N 1 3 322.453 0.353 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001450457954 1015151473 /nfs/dbraw/zinc/15/14/73/1015151473.db2.gz HRVFNDZQRDHEJN-KBPBESRZSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001450457954 1015151475 /nfs/dbraw/zinc/15/14/75/1015151475.db2.gz HRVFNDZQRDHEJN-KBPBESRZSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C)N(C)C ZINC001385226698 986169511 /nfs/dbraw/zinc/16/95/11/986169511.db2.gz RNYUXUUEMJZVDL-KBXIAJHMSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385264869 986196190 /nfs/dbraw/zinc/19/61/90/986196190.db2.gz XTOPWZLXZRILLV-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385264869 986196196 /nfs/dbraw/zinc/19/61/96/986196196.db2.gz XTOPWZLXZRILLV-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001385752527 986570470 /nfs/dbraw/zinc/57/04/70/986570470.db2.gz FSEIMXGQCLYLDF-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC001552011867 1015247399 /nfs/dbraw/zinc/24/73/99/1015247399.db2.gz QWCGRNQBYSEXOE-BZUAXINKSA-N 1 3 324.469 0.975 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C)N(C)C ZINC001386124170 986855545 /nfs/dbraw/zinc/85/55/45/986855545.db2.gz NLRZOEKHFBJVGH-KNCOVGOOSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001386208255 986956346 /nfs/dbraw/zinc/95/63/46/986956346.db2.gz DFKZKMXYTSBIGQ-AJNGGQMLSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001386208255 986956354 /nfs/dbraw/zinc/95/63/54/986956354.db2.gz DFKZKMXYTSBIGQ-AJNGGQMLSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001386293658 987048507 /nfs/dbraw/zinc/04/85/07/987048507.db2.gz QXVQCOSQJVKGJI-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552166692 1015300397 /nfs/dbraw/zinc/30/03/97/1015300397.db2.gz KNNKCSLNJLZYJP-CYBMUJFWSA-N 1 3 304.398 0.169 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCN(C3CC3)C2)cnn1C ZINC001552169180 1015304284 /nfs/dbraw/zinc/30/42/84/1015304284.db2.gz ZGASZGAYPDQRPS-KCXAZCMYSA-N 1 3 317.437 0.384 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001387238074 987724621 /nfs/dbraw/zinc/72/46/21/987724621.db2.gz AENRLYXGIHMSPX-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001387238074 987724625 /nfs/dbraw/zinc/72/46/25/987724625.db2.gz AENRLYXGIHMSPX-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H](C(=O)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001387311156 987764276 /nfs/dbraw/zinc/76/42/76/987764276.db2.gz XITOZDSZBRPQMH-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001387311156 987764279 /nfs/dbraw/zinc/76/42/79/987764279.db2.gz XITOZDSZBRPQMH-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CN(Cc1n[nH]c([C@@H]2C[C@@H](F)CN2)n1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC001552257247 1015354335 /nfs/dbraw/zinc/35/43/35/1015354335.db2.gz LBFYVAMKSHNMME-TUAOUCFPSA-N 1 3 324.404 0.525 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001388548938 988399425 /nfs/dbraw/zinc/39/94/25/988399425.db2.gz HEZMBYGWSLZUDX-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC001388727762 988543536 /nfs/dbraw/zinc/54/35/36/988543536.db2.gz QTBIDQTYNCPWNV-TUVASFSCSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001389267864 989052984 /nfs/dbraw/zinc/05/29/84/989052984.db2.gz KFFIPYFREIWZFJ-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001389267864 989052992 /nfs/dbraw/zinc/05/29/92/989052992.db2.gz KFFIPYFREIWZFJ-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001389362263 989159387 /nfs/dbraw/zinc/15/93/87/989159387.db2.gz UPOYLJLJFSLXRE-UHFFFAOYSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001389362263 989159393 /nfs/dbraw/zinc/15/93/93/989159393.db2.gz UPOYLJLJFSLXRE-UHFFFAOYSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN2CC[NH+](CCC3CC3)CC2)C1 ZINC001389429619 989235242 /nfs/dbraw/zinc/23/52/42/989235242.db2.gz OWYHSXNZVYAASF-INIZCTEOSA-N 1 3 322.497 0.862 20 0 DCADHO CCNC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001389620630 989436276 /nfs/dbraw/zinc/43/62/76/989436276.db2.gz ZYZORAUXFHEHJG-RRFJBIMHSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001389620630 989436282 /nfs/dbraw/zinc/43/62/82/989436282.db2.gz ZYZORAUXFHEHJG-RRFJBIMHSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](NCc1ccnn1C)C1CC1)[NH+](C)C ZINC001389654181 989467321 /nfs/dbraw/zinc/46/73/21/989467321.db2.gz VGZKOFKYPCXGLZ-HZPDHXFCSA-N 1 3 321.469 0.991 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001389809067 989601027 /nfs/dbraw/zinc/60/10/27/989601027.db2.gz WQHAPESMIRTWTI-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001389809067 989601033 /nfs/dbraw/zinc/60/10/33/989601033.db2.gz WQHAPESMIRTWTI-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552690204 1015493061 /nfs/dbraw/zinc/49/30/61/1015493061.db2.gz ARTCQIVCWSSYJB-NFAWXSAZSA-N 1 3 320.441 0.935 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C3(N(C)C)CCC3)C2)C1=O ZINC001389958634 989710177 /nfs/dbraw/zinc/71/01/77/989710177.db2.gz LJHLGNJKQVWAQK-HZSPNIEDSA-N 1 3 322.453 0.328 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001389963784 989714155 /nfs/dbraw/zinc/71/41/55/989714155.db2.gz YHQZXZGPYRNRES-BETUJISGSA-N 1 3 320.441 0.519 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001389997919 989739601 /nfs/dbraw/zinc/73/96/01/989739601.db2.gz HZRCJWWWJUCXDE-SCRDCRAPSA-N 1 3 310.442 0.184 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001390123804 989845862 /nfs/dbraw/zinc/84/58/62/989845862.db2.gz MSCDUSSPQSVNHN-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NCC1CC1 ZINC001390359589 990025042 /nfs/dbraw/zinc/02/50/42/990025042.db2.gz JJZCLJGSARXPPO-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NCC1CC1 ZINC001390359589 990025052 /nfs/dbraw/zinc/02/50/52/990025052.db2.gz JJZCLJGSARXPPO-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCCC1 ZINC001390410402 990076146 /nfs/dbraw/zinc/07/61/46/990076146.db2.gz XYGNCRSSLXQYMY-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N[C@H]1CCNC1=O ZINC001390491883 990146338 /nfs/dbraw/zinc/14/63/38/990146338.db2.gz JEXHEMRWNUALBC-WFASDCNBSA-N 1 3 318.421 0.345 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001390532552 990179040 /nfs/dbraw/zinc/17/90/40/990179040.db2.gz IFHOUBVCQXIPGH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001390594435 990228699 /nfs/dbraw/zinc/22/86/99/990228699.db2.gz PSKSXCUCBJSUJS-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001390599860 990235049 /nfs/dbraw/zinc/23/50/49/990235049.db2.gz VQWHYOZLTJXVSE-AWEZNQCLSA-N 1 3 319.453 0.700 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001390609245 990242341 /nfs/dbraw/zinc/24/23/41/990242341.db2.gz HIUASGFRZUGWMW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2cn(C)nn2)C1 ZINC001390610331 990243798 /nfs/dbraw/zinc/24/37/98/990243798.db2.gz ITYSCKQVUFFOTA-ZIAGYGMSSA-N 1 3 322.457 0.674 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NCc2cn(C)nn2)C1 ZINC001390610331 990243803 /nfs/dbraw/zinc/24/38/03/990243803.db2.gz ITYSCKQVUFFOTA-ZIAGYGMSSA-N 1 3 322.457 0.674 20 0 DCADHO COC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001391047657 990539049 /nfs/dbraw/zinc/53/90/49/990539049.db2.gz FJTLZDZBQPQMPC-ZNMIVQPWSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001391047657 990539059 /nfs/dbraw/zinc/53/90/59/990539059.db2.gz FJTLZDZBQPQMPC-ZNMIVQPWSA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001391212613 990674267 /nfs/dbraw/zinc/67/42/67/990674267.db2.gz KQSPTXUKWZAFQI-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001391212613 990674268 /nfs/dbraw/zinc/67/42/68/990674268.db2.gz KQSPTXUKWZAFQI-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001391638737 991044753 /nfs/dbraw/zinc/04/47/53/991044753.db2.gz VDOHZFQTMYNICF-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001391638737 991044761 /nfs/dbraw/zinc/04/47/61/991044761.db2.gz VDOHZFQTMYNICF-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001391815411 991198593 /nfs/dbraw/zinc/19/85/93/991198593.db2.gz QRAZHMWCRJRUNJ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001391861001 991231009 /nfs/dbraw/zinc/23/10/09/991231009.db2.gz OZJLRDZCYNXNTF-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CCCCN1C ZINC001392081902 991474850 /nfs/dbraw/zinc/47/48/50/991474850.db2.gz YFLVOLLFMRVNGB-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001392100789 991493401 /nfs/dbraw/zinc/49/34/01/991493401.db2.gz NTHJMKPQQZVRJQ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392100789 991493406 /nfs/dbraw/zinc/49/34/06/991493406.db2.gz NTHJMKPQQZVRJQ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392121247 991517023 /nfs/dbraw/zinc/51/70/23/991517023.db2.gz JRMORCFNIRTJCZ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)C1CC(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001553218743 1015643657 /nfs/dbraw/zinc/64/36/57/1015643657.db2.gz DHETWDDLGQLDLY-CKUJCDMFSA-N 1 3 324.469 0.567 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(N)=O ZINC001392191655 991590385 /nfs/dbraw/zinc/59/03/85/991590385.db2.gz FCYWOMZBJSNBSQ-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(N)=O ZINC001392191655 991590398 /nfs/dbraw/zinc/59/03/98/991590398.db2.gz FCYWOMZBJSNBSQ-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CCO)CC2)C1 ZINC001392191886 991590936 /nfs/dbraw/zinc/59/09/36/991590936.db2.gz COAMHVSMMHPWCV-HNNXBMFYSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CCO)CC2)C1 ZINC001392191886 991590944 /nfs/dbraw/zinc/59/09/44/991590944.db2.gz COAMHVSMMHPWCV-HNNXBMFYSA-N 1 3 311.470 0.881 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001392348229 991785610 /nfs/dbraw/zinc/78/56/10/991785610.db2.gz XPYJUEULLGPYLX-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCCCO2)CCC1 ZINC001392378837 991843047 /nfs/dbraw/zinc/84/30/47/991843047.db2.gz XWBOFLLKYCYITH-ZIAGYGMSSA-N 1 3 313.442 0.107 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CN(C)C(C)C ZINC001392455375 991949836 /nfs/dbraw/zinc/94/98/36/991949836.db2.gz GAKPQSDZRLHKAH-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001392511703 992026530 /nfs/dbraw/zinc/02/65/30/992026530.db2.gz KULBKILMQHKGGX-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001392560549 992095823 /nfs/dbraw/zinc/09/58/23/992095823.db2.gz IJRKNTJARDINHS-BLLLJJGKSA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001392601513 992146508 /nfs/dbraw/zinc/14/65/08/992146508.db2.gz VXUHGTOSLNVAJM-GZBFAFLISA-N 1 3 322.457 0.446 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001392803896 992411099 /nfs/dbraw/zinc/41/10/99/992411099.db2.gz CZNQUJZKWUZDSB-GJZGRUSLSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001392803896 992411104 /nfs/dbraw/zinc/41/11/04/992411104.db2.gz CZNQUJZKWUZDSB-GJZGRUSLSA-N 1 3 305.426 0.356 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001392813776 992420401 /nfs/dbraw/zinc/42/04/01/992420401.db2.gz SXCJNQPXHAZLHE-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001392813776 992420407 /nfs/dbraw/zinc/42/04/07/992420407.db2.gz SXCJNQPXHAZLHE-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(C)(C)C ZINC001393033517 992638545 /nfs/dbraw/zinc/63/85/45/992638545.db2.gz GWDXGMCSQLUUBW-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CCn2cncn2)CC1 ZINC001393071648 992664921 /nfs/dbraw/zinc/66/49/21/992664921.db2.gz YNFFDWMRUBRIDY-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001393413426 992960818 /nfs/dbraw/zinc/96/08/18/992960818.db2.gz GUYHHSIICZEUNA-KFWWJZLASA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001393453251 993002491 /nfs/dbraw/zinc/00/24/91/993002491.db2.gz LLAJXROJUWFGFJ-DZGCQCFKSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CC3CC3)C2)C1 ZINC001393696307 993183333 /nfs/dbraw/zinc/18/33/33/993183333.db2.gz MHSHTLOWZMGMMR-RHSMWYFYSA-N 1 3 309.454 0.681 20 0 DCADHO COC[C@H](C)N1CCC(CO)(NC(=O)CCC[NH+](C)C)CC1 ZINC001393843638 993293376 /nfs/dbraw/zinc/29/33/76/993293376.db2.gz CEYLZDIABWSDFU-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1CNCC(N)=O)[NH+](CC)CC ZINC001393859272 993302867 /nfs/dbraw/zinc/30/28/67/993302867.db2.gz HHCNJVSXITXZMT-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001394091725 993470738 /nfs/dbraw/zinc/47/07/38/993470738.db2.gz NQNKYRZKEUZBQX-HNNXBMFYSA-N 1 3 312.458 0.194 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001394376378 993661455 /nfs/dbraw/zinc/66/14/55/993661455.db2.gz RJEMAAPELAGBRJ-JOCQHMNTSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC1CC1 ZINC001394518079 993794056 /nfs/dbraw/zinc/79/40/56/993794056.db2.gz BFYRFSKQRNAJLW-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCc2ccccc2)C1 ZINC001394635635 993944648 /nfs/dbraw/zinc/94/46/48/993944648.db2.gz MNWBQYNIVVOHSQ-DOTOQJQBSA-N 1 3 319.449 0.638 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001394716811 994049978 /nfs/dbraw/zinc/04/99/78/994049978.db2.gz PZPSDJTYBYPXDX-OLZOCXBDSA-N 1 3 322.453 0.043 20 0 DCADHO CN(CCN1CC[NH+](CC2CCC2)CC1)C(=O)[C@@H]1CCCN1C ZINC001400193964 994262807 /nfs/dbraw/zinc/26/28/07/994262807.db2.gz HBTNPVWKQWRNFV-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001400263834 994352097 /nfs/dbraw/zinc/35/20/97/994352097.db2.gz RZMOBDAMXBDDLK-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001400487658 994574306 /nfs/dbraw/zinc/57/43/06/994574306.db2.gz XOBYTHORXXPAFR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001400487658 994574315 /nfs/dbraw/zinc/57/43/15/994574315.db2.gz XOBYTHORXXPAFR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001510611281 1015891855 /nfs/dbraw/zinc/89/18/55/1015891855.db2.gz HPJGMYCJMMKURD-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cccn1 ZINC001400809091 994956866 /nfs/dbraw/zinc/95/68/66/994956866.db2.gz FBWGMKWGDOFQMM-CQSZACIVSA-N 1 3 307.442 0.852 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001401050562 995135963 /nfs/dbraw/zinc/13/59/63/995135963.db2.gz WDIAKMOVENNGLY-SYQHCUMBSA-N 1 3 312.458 0.463 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401091442 995166161 /nfs/dbraw/zinc/16/61/61/995166161.db2.gz TWUKBCVELYJNES-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401091442 995166171 /nfs/dbraw/zinc/16/61/71/995166171.db2.gz TWUKBCVELYJNES-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401091445 995166339 /nfs/dbraw/zinc/16/63/39/995166339.db2.gz TWUKBCVELYJNES-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401091445 995166348 /nfs/dbraw/zinc/16/63/48/995166348.db2.gz TWUKBCVELYJNES-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001396522992 995448546 /nfs/dbraw/zinc/44/85/46/995448546.db2.gz MOIRTXQVXBYRNU-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001396522992 995448551 /nfs/dbraw/zinc/44/85/51/995448551.db2.gz MOIRTXQVXBYRNU-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](CNCC(N)=O)C1 ZINC001397172642 995840620 /nfs/dbraw/zinc/84/06/20/995840620.db2.gz UHUMKLKDMJHSDJ-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](CNCC(N)=O)C1 ZINC001397172642 995840638 /nfs/dbraw/zinc/84/06/38/995840638.db2.gz UHUMKLKDMJHSDJ-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](CNCC(N)=O)C1 ZINC001397172645 995841267 /nfs/dbraw/zinc/84/12/67/995841267.db2.gz UHUMKLKDMJHSDJ-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](CNCC(N)=O)C1 ZINC001397172645 995841274 /nfs/dbraw/zinc/84/12/74/995841274.db2.gz UHUMKLKDMJHSDJ-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO Cc1nc([C@@H](C)N[C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001507116339 1015998368 /nfs/dbraw/zinc/99/83/68/1015998368.db2.gz FJPGYQADIIBKLU-VXGBXAGGSA-N 1 3 322.457 0.952 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001397663294 996122438 /nfs/dbraw/zinc/12/24/38/996122438.db2.gz LHBHZQREWIAPIO-AAVRWANBSA-N 1 3 310.442 0.077 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001397702013 996138117 /nfs/dbraw/zinc/13/81/17/996138117.db2.gz VAERRNFVONWUBD-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1cncn1C ZINC001507128276 1016009574 /nfs/dbraw/zinc/00/95/74/1016009574.db2.gz UGXWZGPSKYIGJE-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCc1cncn1C ZINC001507128276 1016009584 /nfs/dbraw/zinc/00/95/84/1016009584.db2.gz UGXWZGPSKYIGJE-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO COCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001397784832 996174642 /nfs/dbraw/zinc/17/46/42/996174642.db2.gz XWJZAEPIUYZAQT-CABCVRRESA-N 1 3 313.442 0.012 20 0 DCADHO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001397784832 996174644 /nfs/dbraw/zinc/17/46/44/996174644.db2.gz XWJZAEPIUYZAQT-CABCVRRESA-N 1 3 313.442 0.012 20 0 DCADHO COCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001397784848 996174713 /nfs/dbraw/zinc/17/47/13/996174713.db2.gz XWJZAEPIUYZAQT-GJZGRUSLSA-N 1 3 313.442 0.012 20 0 DCADHO COCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001397784848 996174716 /nfs/dbraw/zinc/17/47/16/996174716.db2.gz XWJZAEPIUYZAQT-GJZGRUSLSA-N 1 3 313.442 0.012 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCCF)CCOCC1 ZINC001502642260 1016012675 /nfs/dbraw/zinc/01/26/75/1016012675.db2.gz SKYVSOAPPDDARF-UHFFFAOYSA-N 1 3 312.389 0.875 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001398430842 996512181 /nfs/dbraw/zinc/51/21/81/996512181.db2.gz BUBCYHXJTIBQDN-INIZCTEOSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)CCc1cnn(C)c1 ZINC001492873309 996549659 /nfs/dbraw/zinc/54/96/59/996549659.db2.gz BZBGLDOUGHSLNV-GJZGRUSLSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC001507161759 1016043334 /nfs/dbraw/zinc/04/33/34/1016043334.db2.gz MLIMWCIFRFUVKB-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001398538856 996560865 /nfs/dbraw/zinc/56/08/65/996560865.db2.gz LRNCUDJYIGOXRV-JOCQHMNTSA-N 1 3 310.442 0.234 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001398562574 996573892 /nfs/dbraw/zinc/57/38/92/996573892.db2.gz ZEHAKNVTVVYVSW-JHJVBQTASA-N 1 3 310.442 0.090 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001398615423 996605472 /nfs/dbraw/zinc/60/54/72/996605472.db2.gz SLZSQXDJAGLSLC-MJBXVCDLSA-N 1 3 320.441 0.426 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001398615423 996605478 /nfs/dbraw/zinc/60/54/78/996605478.db2.gz SLZSQXDJAGLSLC-MJBXVCDLSA-N 1 3 320.441 0.426 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCC(=O)NC1CC1 ZINC001502738844 1016047589 /nfs/dbraw/zinc/04/75/89/1016047589.db2.gz UGRUYVAHKBVCGP-JSGCOSHPSA-N 1 3 322.453 0.043 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001398762618 996677115 /nfs/dbraw/zinc/67/71/15/996677115.db2.gz JBTBIADDGKKKGP-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001399011191 996826905 /nfs/dbraw/zinc/82/69/05/996826905.db2.gz ASBRIDAPJSZHLW-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO COc1coc(CN[C@@H](C)CNC(=O)CC[NH+](C)C)cc1=O ZINC001399031536 996862963 /nfs/dbraw/zinc/86/29/63/996862963.db2.gz MSEUFCSRMSHMCE-NSHDSACASA-N 1 3 311.382 0.194 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001404338233 997007172 /nfs/dbraw/zinc/00/71/72/997007172.db2.gz MDYCYWUUTLILHT-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)on1 ZINC001399236962 997109983 /nfs/dbraw/zinc/10/99/83/997109983.db2.gz CPUSBNDACVSJGR-ZDUSSCGKSA-N 1 3 324.425 0.962 20 0 DCADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001399266481 997139223 /nfs/dbraw/zinc/13/92/23/997139223.db2.gz LDMVBSGFTJTVKX-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001404528301 997206042 /nfs/dbraw/zinc/20/60/42/997206042.db2.gz ZMWABTLJYGZKHX-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001404528301 997206048 /nfs/dbraw/zinc/20/60/48/997206048.db2.gz ZMWABTLJYGZKHX-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001399336892 997236107 /nfs/dbraw/zinc/23/61/07/997236107.db2.gz KNXCZDPUDPWEBZ-CHWSQXEVSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001399427861 997356068 /nfs/dbraw/zinc/35/60/68/997356068.db2.gz CMTUXBUUFSFPNH-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1ccnn1C ZINC001405288071 998064791 /nfs/dbraw/zinc/06/47/91/998064791.db2.gz OESKIWVCOBSVON-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]CCC1CCOCC1 ZINC001507258337 1016189973 /nfs/dbraw/zinc/18/99/73/1016189973.db2.gz ZLNNZTVADXSHFQ-AWEZNQCLSA-N 1 3 324.425 0.144 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001405597704 998372790 /nfs/dbraw/zinc/37/27/90/998372790.db2.gz PDMZUJSRYQVYDT-MGPQQGTHSA-N 1 3 312.458 0.417 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)[C@H]1C ZINC001507291676 1016221921 /nfs/dbraw/zinc/22/19/21/1016221921.db2.gz CXBAVYGSGVVKEQ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001405725272 998502843 /nfs/dbraw/zinc/50/28/43/998502843.db2.gz DCULLEQIVRWIJS-NWDGAFQWSA-N 1 3 320.441 0.612 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@H]1C ZINC001507294469 1016225170 /nfs/dbraw/zinc/22/51/70/1016225170.db2.gz ZGWPNYHHRVDLLB-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCn1cccn1 ZINC001505625750 1016368792 /nfs/dbraw/zinc/36/87/92/1016368792.db2.gz NHKDPQOTVQTIKZ-UONOGXRCSA-N 1 3 307.442 0.850 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001505632588 1016378996 /nfs/dbraw/zinc/37/89/96/1016378996.db2.gz MEXUAXHTZUBSHZ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)CCc1cnn(C)c1 ZINC001418471867 1000257279 /nfs/dbraw/zinc/25/72/79/1000257279.db2.gz VCQGCFVIQLYMEF-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)CCc1cnn(C)c1 ZINC001418471867 1000257285 /nfs/dbraw/zinc/25/72/85/1000257285.db2.gz VCQGCFVIQLYMEF-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C)C1=O ZINC001401234461 1000294544 /nfs/dbraw/zinc/29/45/44/1000294544.db2.gz APRZDSUIORFGLT-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001401250686 1000308308 /nfs/dbraw/zinc/30/83/08/1000308308.db2.gz GEWGRLCVYLFWRD-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](C)C1 ZINC001401295201 1000335735 /nfs/dbraw/zinc/33/57/35/1000335735.db2.gz GOLUPCNRQRLRSU-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2CCn2cncn2)C1 ZINC001418636558 1000411537 /nfs/dbraw/zinc/41/15/37/1000411537.db2.gz JEXHJTBTECREKH-CABCVRRESA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2CCn2cncn2)C1 ZINC001418636558 1000411540 /nfs/dbraw/zinc/41/15/40/1000411540.db2.gz JEXHJTBTECREKH-CABCVRRESA-N 1 3 320.441 0.201 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418637153 1000412137 /nfs/dbraw/zinc/41/21/37/1000412137.db2.gz WRSRIBJYZMIWHR-UPJWGTAASA-N 1 3 310.442 0.090 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)[nH]1 ZINC001401479697 1000437570 /nfs/dbraw/zinc/43/75/70/1000437570.db2.gz FNVACBNLEDFIRR-QWHCGFSZSA-N 1 3 308.430 0.439 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)CCC1 ZINC001401556778 1000493873 /nfs/dbraw/zinc/49/38/73/1000493873.db2.gz QQQIPKNDOWIQNX-AWEZNQCLSA-N 1 3 306.410 0.133 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@@H]2CCCNC2=O)CC1 ZINC001418824658 1000554104 /nfs/dbraw/zinc/55/41/04/1000554104.db2.gz GFLIDYHBMSVUPT-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401697740 1000636761 /nfs/dbraw/zinc/63/67/61/1000636761.db2.gz ANMBBBLTIFNKSO-LBPRGKRZSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@H](C)NC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401699564 1000637856 /nfs/dbraw/zinc/63/78/56/1000637856.db2.gz MDJHSYPXRQCSSU-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](C[N@H+](C)CCn1cccn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001401776904 1000716661 /nfs/dbraw/zinc/71/66/61/1000716661.db2.gz IHFQPAUGFASSQA-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](C[N@@H+](C)CCn1cccn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001401776904 1000716664 /nfs/dbraw/zinc/71/66/64/1000716664.db2.gz IHFQPAUGFASSQA-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)N1CCC1 ZINC001419200183 1000874030 /nfs/dbraw/zinc/87/40/30/1000874030.db2.gz SCIKZFPVAQXFAS-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CNC(=O)[C@@H](C)NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001401969353 1000912575 /nfs/dbraw/zinc/91/25/75/1000912575.db2.gz RNYJSVHQADJZEN-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H]1C[C@@H](NCc2cnns2)CCN1C(=O)CC[NH+](C)C ZINC001402051595 1000975611 /nfs/dbraw/zinc/97/56/11/1000975611.db2.gz OSTPOXOWGLEBQR-RYUDHWBXSA-N 1 3 311.455 0.959 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001402062817 1000984436 /nfs/dbraw/zinc/98/44/36/1000984436.db2.gz UZLWCSTYHHJMHH-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]C[C@H](C)O)C1CCCC1 ZINC001402120968 1001031985 /nfs/dbraw/zinc/03/19/85/1001031985.db2.gz KFTGRKBUBOLWFW-XHDPSFHLSA-N 1 3 308.426 0.906 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001419427264 1001040818 /nfs/dbraw/zinc/04/08/18/1001040818.db2.gz YFVRDKBOXNWDMY-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001402155859 1001070636 /nfs/dbraw/zinc/07/06/36/1001070636.db2.gz IJFUGKZGDFASES-PBHICJAKSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001419521257 1001113025 /nfs/dbraw/zinc/11/30/25/1001113025.db2.gz UHHLUBDXUCKXDL-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001419600133 1001165824 /nfs/dbraw/zinc/16/58/24/1001165824.db2.gz IFXYMQNYWPDLFM-OCCSQVGLSA-N 1 3 310.442 0.315 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001402314808 1001207349 /nfs/dbraw/zinc/20/73/49/1001207349.db2.gz OIKZPXCYNLVAKL-AAEUAGOBSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001419735662 1001263325 /nfs/dbraw/zinc/26/33/25/1001263325.db2.gz MSCKOVFCMGEJHA-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001402478359 1001346671 /nfs/dbraw/zinc/34/66/71/1001346671.db2.gz JVRMBZKMRGHPGH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001419930282 1001415147 /nfs/dbraw/zinc/41/51/47/1001415147.db2.gz CHMNOTASONSJNU-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCC1 ZINC001402576209 1001418253 /nfs/dbraw/zinc/41/82/53/1001418253.db2.gz HQBHVSNKBPPKAN-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC001402630344 1001451091 /nfs/dbraw/zinc/45/10/91/1001451091.db2.gz MRPJCIGUGRTTOJ-BETUJISGSA-N 1 3 308.430 0.377 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001402678091 1001468006 /nfs/dbraw/zinc/46/80/06/1001468006.db2.gz GAVUHUUPFDWCBO-AAEUAGOBSA-N 1 3 307.398 0.044 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001402751820 1001490117 /nfs/dbraw/zinc/49/01/17/1001490117.db2.gz BZRNIGNDUMBBRA-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001402751820 1001490119 /nfs/dbraw/zinc/49/01/19/1001490119.db2.gz BZRNIGNDUMBBRA-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1CCC([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001402825787 1001518338 /nfs/dbraw/zinc/51/83/38/1001518338.db2.gz IDXPFZQTGRLCNA-RUXDESIVSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCO)C2)C1 ZINC001402944275 1001595405 /nfs/dbraw/zinc/59/54/05/1001595405.db2.gz UKWBWBYISGJBML-JKSUJKDBSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001402944275 1001595410 /nfs/dbraw/zinc/59/54/10/1001595410.db2.gz UKWBWBYISGJBML-JKSUJKDBSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NCC(=O)N(C)C ZINC001403052203 1001650748 /nfs/dbraw/zinc/65/07/48/1001650748.db2.gz URROMQAEEAMZKL-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001403182703 1001712776 /nfs/dbraw/zinc/71/27/76/1001712776.db2.gz WEYHUAVKHPTZJQ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001403182703 1001712780 /nfs/dbraw/zinc/71/27/80/1001712780.db2.gz WEYHUAVKHPTZJQ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001505759850 1016532289 /nfs/dbraw/zinc/53/22/89/1016532289.db2.gz CCRKNTWYOJJLFD-CHWSQXEVSA-N 1 3 324.473 0.718 20 0 DCADHO Cc1nccnc1CN[C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001420137451 1001925502 /nfs/dbraw/zinc/92/55/02/1001925502.db2.gz FOBNAKNEHQTHFE-CYBMUJFWSA-N 1 3 317.437 0.865 20 0 DCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)NCc1nccn1C ZINC001420137348 1001926903 /nfs/dbraw/zinc/92/69/03/1001926903.db2.gz FAZNRPCGAOAKKE-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001403459645 1001986363 /nfs/dbraw/zinc/98/63/63/1001986363.db2.gz LUPGFYRNGHGEMG-HDJSIYSDSA-N 1 3 307.442 0.745 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001424777741 1002014429 /nfs/dbraw/zinc/01/44/29/1002014429.db2.gz GEHBEEIEZQFJRM-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](NC[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001403514770 1002059133 /nfs/dbraw/zinc/05/91/33/1002059133.db2.gz YGBJXGVPLKOPBL-GXTWGEPZSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001403513478 1002060273 /nfs/dbraw/zinc/06/02/73/1002060273.db2.gz PIBOLTIEXMHTTN-ZIAGYGMSSA-N 1 3 310.442 0.042 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001420239071 1002096968 /nfs/dbraw/zinc/09/69/68/1002096968.db2.gz KUIIVLDWDQWDJA-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001424884219 1002119647 /nfs/dbraw/zinc/11/96/47/1002119647.db2.gz ANZAVOCPFSWDSP-UHFFFAOYSA-N 1 3 323.441 0.505 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001403619615 1002220306 /nfs/dbraw/zinc/22/03/06/1002220306.db2.gz CXRUSJHCAIFFBF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420338562 1002245733 /nfs/dbraw/zinc/24/57/33/1002245733.db2.gz LNQMWWYCWMRICJ-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001403640847 1002251225 /nfs/dbraw/zinc/25/12/25/1002251225.db2.gz YVNKDAHVQDCHAE-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001425254305 1002483152 /nfs/dbraw/zinc/48/31/52/1002483152.db2.gz LNLCAMRGRYECLM-JSGCOSHPSA-N 1 3 320.441 0.154 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C1 ZINC001425379437 1002623772 /nfs/dbraw/zinc/62/37/72/1002623772.db2.gz FCRVJSGQYCSOIW-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C1 ZINC001425379437 1002623779 /nfs/dbraw/zinc/62/37/79/1002623779.db2.gz FCRVJSGQYCSOIW-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001505883488 1016653847 /nfs/dbraw/zinc/65/38/47/1016653847.db2.gz MTRILZAOPJZDIN-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001505883488 1016653855 /nfs/dbraw/zinc/65/38/55/1016653855.db2.gz MTRILZAOPJZDIN-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)C1(C[NH+](C)C)CC1 ZINC001403878307 1002671399 /nfs/dbraw/zinc/67/13/99/1002671399.db2.gz QMRZXGKJNIYBPX-HNNXBMFYSA-N 1 3 320.437 0.332 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001403894692 1002695897 /nfs/dbraw/zinc/69/58/97/1002695897.db2.gz IHBPWTSMCOCVRJ-XJKSGUPXSA-N 1 3 317.449 0.970 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001403894692 1002695902 /nfs/dbraw/zinc/69/59/02/1002695902.db2.gz IHBPWTSMCOCVRJ-XJKSGUPXSA-N 1 3 317.449 0.970 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CN[C@H](C)C(=O)NC)C(C)(C)C ZINC001403955025 1002793961 /nfs/dbraw/zinc/79/39/61/1002793961.db2.gz HZWJMDLCBGTFEH-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CN[C@H](C)C(=O)NC)C(C)(C)C ZINC001403955025 1002793972 /nfs/dbraw/zinc/79/39/72/1002793972.db2.gz HZWJMDLCBGTFEH-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@H](C)C(=O)NC)C(C)(C)C ZINC001403955019 1002795253 /nfs/dbraw/zinc/79/52/53/1002795253.db2.gz HZWJMDLCBGTFEH-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@H](C)C(=O)NC)C(C)(C)C ZINC001403955019 1002795263 /nfs/dbraw/zinc/79/52/63/1002795263.db2.gz HZWJMDLCBGTFEH-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001420712847 1002834903 /nfs/dbraw/zinc/83/49/03/1002834903.db2.gz BODZOPUOUIRQAY-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001420712847 1002834921 /nfs/dbraw/zinc/83/49/21/1002834921.db2.gz BODZOPUOUIRQAY-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN[C@H]1CCN(C)C1=O)[NH+](CC)CC ZINC001420722885 1002856353 /nfs/dbraw/zinc/85/63/53/1002856353.db2.gz HCSMXEUYHDZYHW-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCc1ccnn1C ZINC001425589704 1002860283 /nfs/dbraw/zinc/86/02/83/1002860283.db2.gz VZQPIQRNBXPERF-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001425694933 1002966501 /nfs/dbraw/zinc/96/65/01/1002966501.db2.gz LJVAHXDJMOQTFJ-ZDUSSCGKSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405820614 1003110545 /nfs/dbraw/zinc/11/05/45/1003110545.db2.gz CPOSMEFSARRBCM-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001425802774 1003129306 /nfs/dbraw/zinc/12/93/06/1003129306.db2.gz GDLTUCBYGPSVDE-ZDUSSCGKSA-N 1 3 308.430 0.908 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001425802774 1003129316 /nfs/dbraw/zinc/12/93/16/1003129316.db2.gz GDLTUCBYGPSVDE-ZDUSSCGKSA-N 1 3 308.430 0.908 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001405854775 1003142845 /nfs/dbraw/zinc/14/28/45/1003142845.db2.gz DNJIDTIJPRHJGF-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001405854775 1003142849 /nfs/dbraw/zinc/14/28/49/1003142849.db2.gz DNJIDTIJPRHJGF-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](NC1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001420951557 1003169281 /nfs/dbraw/zinc/16/92/81/1003169281.db2.gz FJAVVCPQMVTMIX-OLZOCXBDSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](NC1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001420951557 1003169289 /nfs/dbraw/zinc/16/92/89/1003169289.db2.gz FJAVVCPQMVTMIX-OLZOCXBDSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001405884004 1003171704 /nfs/dbraw/zinc/17/17/04/1003171704.db2.gz FNDXSMPOLCQTTH-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001405955563 1003221771 /nfs/dbraw/zinc/22/17/71/1003221771.db2.gz AIXQNMSJDARWCR-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001425887124 1003225567 /nfs/dbraw/zinc/22/55/67/1003225567.db2.gz OOKAEONLXJBVTP-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001421127821 1003358398 /nfs/dbraw/zinc/35/83/98/1003358398.db2.gz IODKEPHXMOAJGV-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001421168251 1003398771 /nfs/dbraw/zinc/39/87/71/1003398771.db2.gz KXQYSTCKIIIEHL-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001421168251 1003398781 /nfs/dbraw/zinc/39/87/81/1003398781.db2.gz KXQYSTCKIIIEHL-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C/C=C/Cl)C1 ZINC001421334985 1003554164 /nfs/dbraw/zinc/55/41/64/1003554164.db2.gz CCNQELROEWJQHU-CIYRCRHJSA-N 1 3 301.818 0.386 20 0 DCADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C/C=C/Cl)C1 ZINC001421334985 1003554168 /nfs/dbraw/zinc/55/41/68/1003554168.db2.gz CCNQELROEWJQHU-CIYRCRHJSA-N 1 3 301.818 0.386 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406597638 1003905187 /nfs/dbraw/zinc/90/51/87/1003905187.db2.gz DRELOAUTNAXKFM-HIFRSBDPSA-N 1 3 320.441 0.056 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)N(C)C ZINC001426730654 1003991772 /nfs/dbraw/zinc/99/17/72/1003991772.db2.gz DAADSZIXEICMOB-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H](C[C@@H](C)NC(=O)C[NH+]1CCCC1)NC(=O)CN1CCCC1 ZINC001428594373 1004043424 /nfs/dbraw/zinc/04/34/24/1004043424.db2.gz XRBQEHNSNJIUMJ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001426812711 1004055327 /nfs/dbraw/zinc/05/53/27/1004055327.db2.gz IFRIYGUVKMPJET-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC001426910504 1004122254 /nfs/dbraw/zinc/12/22/54/1004122254.db2.gz WITQBUMQUKHMSH-CQSZACIVSA-N 1 3 316.490 0.966 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001427389242 1004359866 /nfs/dbraw/zinc/35/98/66/1004359866.db2.gz XCSYLQPSZSRHPZ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001427389242 1004359873 /nfs/dbraw/zinc/35/98/73/1004359873.db2.gz XCSYLQPSZSRHPZ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC)C1 ZINC001407108674 1004389581 /nfs/dbraw/zinc/38/95/81/1004389581.db2.gz HILHVAKVORKVMN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC)C1 ZINC001407108674 1004389590 /nfs/dbraw/zinc/38/95/90/1004389590.db2.gz HILHVAKVORKVMN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)n[nH]1 ZINC001407147231 1004420757 /nfs/dbraw/zinc/42/07/57/1004420757.db2.gz JZSFBOCIZJGQLT-CQSZACIVSA-N 1 3 322.457 0.829 20 0 DCADHO CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429261727 1004489529 /nfs/dbraw/zinc/48/95/29/1004489529.db2.gz KQEUGYOHDPYOIB-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429261727 1004489532 /nfs/dbraw/zinc/48/95/32/1004489532.db2.gz KQEUGYOHDPYOIB-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001407511399 1004700757 /nfs/dbraw/zinc/70/07/57/1004700757.db2.gz VXYNRDJEFCNJKG-ZFWWWQNUSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001407514674 1004702175 /nfs/dbraw/zinc/70/21/75/1004702175.db2.gz BRRCAOMTRJPDEB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001407514674 1004702178 /nfs/dbraw/zinc/70/21/78/1004702178.db2.gz BRRCAOMTRJPDEB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)CN1CCC[C@H]1C ZINC001429676687 1004726058 /nfs/dbraw/zinc/72/60/58/1004726058.db2.gz NCLKYLACGPGMMJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001407843125 1004895218 /nfs/dbraw/zinc/89/52/18/1004895218.db2.gz AQLMQJMHPVPJSS-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001408249534 1005125600 /nfs/dbraw/zinc/12/56/00/1005125600.db2.gz BRINXOZMZFEZJB-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001408249534 1005125602 /nfs/dbraw/zinc/12/56/02/1005125602.db2.gz BRINXOZMZFEZJB-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO CN(CCn1cccn1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408346707 1005169911 /nfs/dbraw/zinc/16/99/11/1005169911.db2.gz WCKCEMPESVPDNB-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCn1cccn1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408346707 1005169915 /nfs/dbraw/zinc/16/99/15/1005169915.db2.gz WCKCEMPESVPDNB-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001414569741 1005361806 /nfs/dbraw/zinc/36/18/06/1005361806.db2.gz SKWJVSDOVQFPFN-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001414579830 1005364067 /nfs/dbraw/zinc/36/40/67/1005364067.db2.gz PVFCZPFALFLROU-GFCCVEGCSA-N 1 3 307.398 0.011 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001414579830 1005364069 /nfs/dbraw/zinc/36/40/69/1005364069.db2.gz PVFCZPFALFLROU-GFCCVEGCSA-N 1 3 307.398 0.011 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001415003886 1005440245 /nfs/dbraw/zinc/44/02/45/1005440245.db2.gz INVSAHYMUMOJRK-GASCZTMLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001415007957 1005441102 /nfs/dbraw/zinc/44/11/02/1005441102.db2.gz FXJSGLNXUQOKIW-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001415007957 1005441103 /nfs/dbraw/zinc/44/11/03/1005441103.db2.gz FXJSGLNXUQOKIW-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCN(C(=O)Cc2c[nH]cn2)C2CC2)C1 ZINC001415856236 1005625326 /nfs/dbraw/zinc/62/53/26/1005625326.db2.gz RNVORPVQMWJOMG-LBPRGKRZSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCN(C(=O)Cc2c[nH]cn2)C2CC2)C1 ZINC001415856236 1005625327 /nfs/dbraw/zinc/62/53/27/1005625327.db2.gz RNVORPVQMWJOMG-LBPRGKRZSA-N 1 3 319.409 0.011 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001417778555 1005889151 /nfs/dbraw/zinc/88/91/51/1005889151.db2.gz SJWOXHDDXGBLNO-VNHYZAJKSA-N 1 3 324.469 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001438655828 1005995778 /nfs/dbraw/zinc/99/57/78/1005995778.db2.gz CZGQKPKIEBAQQJ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001438655828 1005995783 /nfs/dbraw/zinc/99/57/83/1005995783.db2.gz CZGQKPKIEBAQQJ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438673028 1006013319 /nfs/dbraw/zinc/01/33/19/1006013319.db2.gz GEMXRPDQBLXPDW-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCCC1)N(C)C ZINC001438751429 1006095409 /nfs/dbraw/zinc/09/54/09/1006095409.db2.gz ZABVNQNLLJKBEW-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001418140196 1006098579 /nfs/dbraw/zinc/09/85/79/1006098579.db2.gz AZDLHNMKJNWYEV-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001436393941 1006162019 /nfs/dbraw/zinc/16/20/19/1006162019.db2.gz ANSYBMPHQYOMHK-YDHLFZDLSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](CCO)CCCF)C1 ZINC001436464746 1006197024 /nfs/dbraw/zinc/19/70/24/1006197024.db2.gz UTPDYKSCGMQWAP-HNNXBMFYSA-N 1 3 317.449 0.972 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](CCO)CCCF)C1 ZINC001436464746 1006197025 /nfs/dbraw/zinc/19/70/25/1006197025.db2.gz UTPDYKSCGMQWAP-HNNXBMFYSA-N 1 3 317.449 0.972 20 0 DCADHO CCNC(=O)CN1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001438954830 1006265661 /nfs/dbraw/zinc/26/56/61/1006265661.db2.gz UXNIMSZVDCUGQO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001418274090 1006287280 /nfs/dbraw/zinc/28/72/80/1006287280.db2.gz HGNOWOUVPCRJCX-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC(CC)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001418296407 1006324638 /nfs/dbraw/zinc/32/46/38/1006324638.db2.gz BFRVRIJXCZRFMT-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CC[C@H](N[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)C1=O ZINC001436817472 1006388712 /nfs/dbraw/zinc/38/87/12/1006388712.db2.gz WXQOQOYEYOWUSR-KBPBESRZSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1)C1CC1 ZINC001436827389 1006396217 /nfs/dbraw/zinc/39/62/17/1006396217.db2.gz JKHCPJHBEVKXLF-HIFRSBDPSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1)C1CC1 ZINC001436827389 1006396227 /nfs/dbraw/zinc/39/62/27/1006396227.db2.gz JKHCPJHBEVKXLF-HIFRSBDPSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2ccccc2F)C1 ZINC001439045385 1006402981 /nfs/dbraw/zinc/40/29/81/1006402981.db2.gz NGUDMAWPQIUTEG-KGLIPLIRSA-N 1 3 309.385 0.344 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2ccccc2F)C1 ZINC001439045385 1006402990 /nfs/dbraw/zinc/40/29/90/1006402990.db2.gz NGUDMAWPQIUTEG-KGLIPLIRSA-N 1 3 309.385 0.344 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)CC(C)(C)C ZINC001436910403 1006449364 /nfs/dbraw/zinc/44/93/64/1006449364.db2.gz GIZVTLUZRHIIGD-HDJSIYSDSA-N 1 3 322.457 0.493 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001436968578 1006491439 /nfs/dbraw/zinc/49/14/39/1006491439.db2.gz RMOSYBORAULENK-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001436968580 1006491480 /nfs/dbraw/zinc/49/14/80/1006491480.db2.gz RMOSYBORAULENK-MELADBBJSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001437029060 1006537447 /nfs/dbraw/zinc/53/74/47/1006537447.db2.gz GSYJJOPCZDJYAC-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439240901 1006618684 /nfs/dbraw/zinc/61/86/84/1006618684.db2.gz NSHYHHJRDDAECW-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439240901 1006618690 /nfs/dbraw/zinc/61/86/90/1006618690.db2.gz NSHYHHJRDDAECW-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@H]1CCCNC1=O ZINC001437259465 1006776329 /nfs/dbraw/zinc/77/63/29/1006776329.db2.gz PTWYMDDARAAYAK-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCCN(C)C1=O ZINC001437260405 1006781197 /nfs/dbraw/zinc/78/11/97/1006781197.db2.gz IXKOYYPJRWTDIC-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001452833275 1007102552 /nfs/dbraw/zinc/10/25/52/1007102552.db2.gz AFHOJXBUNXVMAK-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001452833275 1007102558 /nfs/dbraw/zinc/10/25/58/1007102558.db2.gz AFHOJXBUNXVMAK-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001453275424 1007374790 /nfs/dbraw/zinc/37/47/90/1007374790.db2.gz XZLLJHXKDJDZBI-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](C(=O)N(C)CCN[C@H]1CCCNC1=O)[NH+]1CCCCCC1 ZINC001437846302 1007462936 /nfs/dbraw/zinc/46/29/36/1007462936.db2.gz RXMCMQHTOJDMMB-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001440139256 1007518117 /nfs/dbraw/zinc/51/81/17/1007518117.db2.gz TVHMAEOABCQHMJ-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](F)CNC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001440367018 1007701227 /nfs/dbraw/zinc/70/12/27/1007701227.db2.gz BWRFEKQCEYQYSV-CABCVRRESA-N 1 3 315.433 0.893 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)NC1CC1 ZINC001438367907 1007863557 /nfs/dbraw/zinc/86/35/57/1007863557.db2.gz AFWFLDDMEQZBEL-CHWSQXEVSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001438370560 1007867139 /nfs/dbraw/zinc/86/71/39/1007867139.db2.gz PZXMPKUIRRPBQH-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001438370560 1007867144 /nfs/dbraw/zinc/86/71/44/1007867144.db2.gz PZXMPKUIRRPBQH-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO COc1cc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)ccn1 ZINC001440592017 1007905875 /nfs/dbraw/zinc/90/58/75/1007905875.db2.gz PXTFCAXLJCHUPQ-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO C[C@H]([NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001438437201 1007908868 /nfs/dbraw/zinc/90/88/68/1007908868.db2.gz XOAITLUILRTPSX-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001438502844 1007954887 /nfs/dbraw/zinc/95/48/87/1007954887.db2.gz YEYMKPSRICOJBH-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCNC1=O ZINC001440885325 1008086468 /nfs/dbraw/zinc/08/64/68/1008086468.db2.gz KDZAPCXUDNUBKR-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001441160750 1008246757 /nfs/dbraw/zinc/24/67/57/1008246757.db2.gz OEJWDFMZYYTBQH-KBPBESRZSA-N 1 3 309.454 0.944 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001441276056 1008301858 /nfs/dbraw/zinc/30/18/58/1008301858.db2.gz QPKUNGYHJOYETJ-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001441276056 1008301860 /nfs/dbraw/zinc/30/18/60/1008301860.db2.gz QPKUNGYHJOYETJ-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001441366552 1008333793 /nfs/dbraw/zinc/33/37/93/1008333793.db2.gz SJXDKSJMKHOPPN-TUVASFSCSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NC1CCCC1 ZINC001441502769 1008378622 /nfs/dbraw/zinc/37/86/22/1008378622.db2.gz ATBCREADAZQUJQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001441592599 1008416422 /nfs/dbraw/zinc/41/64/22/1008416422.db2.gz QIUJOOGMQDEYFT-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001441741247 1008484948 /nfs/dbraw/zinc/48/49/48/1008484948.db2.gz PRBDNOLMHFWJCB-YMAMQOFZSA-N 1 3 315.458 0.351 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C2CC2)CN1C(=O)CC[NH+](C)C ZINC001441827336 1008524594 /nfs/dbraw/zinc/52/45/94/1008524594.db2.gz AERMCTNWSRDVIN-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001453542832 1008569335 /nfs/dbraw/zinc/56/93/35/1008569335.db2.gz YMGHKGBPJQCDQT-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)N[C@@H](C)C(N)=O ZINC001441880748 1008617198 /nfs/dbraw/zinc/61/71/98/1008617198.db2.gz SNNQASPCFGKRQU-NEPJUHHUSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)N[C@@H](C)C(N)=O ZINC001441880748 1008617203 /nfs/dbraw/zinc/61/72/03/1008617203.db2.gz SNNQASPCFGKRQU-NEPJUHHUSA-N 1 3 312.458 0.608 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001453650150 1008640309 /nfs/dbraw/zinc/64/03/09/1008640309.db2.gz ZCBPWXFKVVFHAQ-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001453650150 1008640318 /nfs/dbraw/zinc/64/03/18/1008640318.db2.gz ZCBPWXFKVVFHAQ-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001421495264 1008661622 /nfs/dbraw/zinc/66/16/22/1008661622.db2.gz GUMBJTDIYSTKFU-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC[C@@H](C)C1 ZINC001441938873 1008678145 /nfs/dbraw/zinc/67/81/45/1008678145.db2.gz MLYAJPWQBSKVSZ-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001442126765 1008995896 /nfs/dbraw/zinc/99/58/96/1008995896.db2.gz BJJLNVCMHCBWCC-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)Cc2ccn(C)c(=O)c2)CCC1 ZINC001442420709 1009300885 /nfs/dbraw/zinc/30/08/85/1009300885.db2.gz YJFJENJYSALWCC-UHFFFAOYSA-N 1 3 320.437 0.418 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)Cc2ccn(C)c(=O)c2)CCC1 ZINC001442420709 1009300900 /nfs/dbraw/zinc/30/09/00/1009300900.db2.gz YJFJENJYSALWCC-UHFFFAOYSA-N 1 3 320.437 0.418 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001433918999 1009349429 /nfs/dbraw/zinc/34/94/29/1009349429.db2.gz HEMUGYRVLBGFCJ-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001422030815 1009416304 /nfs/dbraw/zinc/41/63/04/1009416304.db2.gz NXBKGEFXPMVOOV-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001422038258 1009424472 /nfs/dbraw/zinc/42/44/72/1009424472.db2.gz GANWBUVEEGYHSC-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001422045852 1009430389 /nfs/dbraw/zinc/43/03/89/1009430389.db2.gz FQAVWFZDDXUYFJ-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001442577584 1009487844 /nfs/dbraw/zinc/48/78/44/1009487844.db2.gz QXHXLMMCAUOYDP-UHFFFAOYSA-N 1 3 319.453 0.589 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001442622293 1009532448 /nfs/dbraw/zinc/53/24/48/1009532448.db2.gz SERUIQUVGZYRLD-UHFFFAOYSA-N 1 3 308.426 0.274 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001442622293 1009532454 /nfs/dbraw/zinc/53/24/54/1009532454.db2.gz SERUIQUVGZYRLD-UHFFFAOYSA-N 1 3 308.426 0.274 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001422209139 1009650884 /nfs/dbraw/zinc/65/08/84/1009650884.db2.gz HDLDKNOIVYFDAA-AWEZNQCLSA-N 1 3 324.469 0.374 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001422209139 1009650890 /nfs/dbraw/zinc/65/08/90/1009650890.db2.gz HDLDKNOIVYFDAA-AWEZNQCLSA-N 1 3 324.469 0.374 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001455470375 1009756311 /nfs/dbraw/zinc/75/63/11/1009756311.db2.gz NQZPAPGGATYFLA-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001455470375 1009756319 /nfs/dbraw/zinc/75/63/19/1009756319.db2.gz NQZPAPGGATYFLA-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CCNC(=O)CC[NH+](C)C)C(=O)CN1CC[C@H](C)C1 ZINC001455677301 1009901065 /nfs/dbraw/zinc/90/10/65/1009901065.db2.gz PFEZJURDHGTDGX-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCN(C)C)C(C)(C)C1 ZINC001456231373 1010136437 /nfs/dbraw/zinc/13/64/37/1010136437.db2.gz QOPYGNFTZPPTCK-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCN(C)C)C(C)(C)C1 ZINC001456231373 1010136442 /nfs/dbraw/zinc/13/64/42/1010136442.db2.gz QOPYGNFTZPPTCK-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001456295632 1010175933 /nfs/dbraw/zinc/17/59/33/1010175933.db2.gz LGIZYQDJLPWOES-LSDHHAIUSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001456295632 1010175939 /nfs/dbraw/zinc/17/59/39/1010175939.db2.gz LGIZYQDJLPWOES-LSDHHAIUSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001443235696 1010251267 /nfs/dbraw/zinc/25/12/67/1010251267.db2.gz BFFKAVMJVSCXEO-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001443235696 1010251275 /nfs/dbraw/zinc/25/12/75/1010251275.db2.gz BFFKAVMJVSCXEO-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc(N(C)C)nc2)CC1 ZINC001422538419 1010263467 /nfs/dbraw/zinc/26/34/67/1010263467.db2.gz USSSEGRRZMCJOA-AWEZNQCLSA-N 1 3 306.458 0.658 20 0 DCADHO CCN(CC)CC(=O)N[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001506454993 1017293759 /nfs/dbraw/zinc/29/37/59/1017293759.db2.gz RTLYJTLYPBMRPT-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001506454993 1017293767 /nfs/dbraw/zinc/29/37/67/1017293767.db2.gz RTLYJTLYPBMRPT-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CCC(CC)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422741707 1010555163 /nfs/dbraw/zinc/55/51/63/1010555163.db2.gz AQRNYUZNHLQQAD-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422741707 1010555168 /nfs/dbraw/zinc/55/51/68/1010555168.db2.gz AQRNYUZNHLQQAD-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)CC1(C)C ZINC001422811549 1010634309 /nfs/dbraw/zinc/63/43/09/1010634309.db2.gz VBSITSAWGFGMKY-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](O)COC)CC1(C)C ZINC001422811549 1010634315 /nfs/dbraw/zinc/63/43/15/1010634315.db2.gz VBSITSAWGFGMKY-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422881981 1010697080 /nfs/dbraw/zinc/69/70/80/1010697080.db2.gz XRZMZZUDSRDUCF-SWLSCSKDSA-N 1 3 303.422 0.628 20 0 DCADHO C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001422881981 1010697085 /nfs/dbraw/zinc/69/70/85/1010697085.db2.gz XRZMZZUDSRDUCF-SWLSCSKDSA-N 1 3 303.422 0.628 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001422988872 1010791389 /nfs/dbraw/zinc/79/13/89/1010791389.db2.gz GHCBXNPEOSVGBU-JSGCOSHPSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001423045296 1010835423 /nfs/dbraw/zinc/83/54/23/1010835423.db2.gz BDFXEZMRTDGCSB-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001423045296 1010835430 /nfs/dbraw/zinc/83/54/30/1010835430.db2.gz BDFXEZMRTDGCSB-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444091573 1010849220 /nfs/dbraw/zinc/84/92/20/1010849220.db2.gz VDHGBMCTVDIMLC-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)NCC1CC1 ZINC001423127302 1010909194 /nfs/dbraw/zinc/90/91/94/1010909194.db2.gz JYFRQDBDJACFAH-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)NCC1CC1 ZINC001423127302 1010909197 /nfs/dbraw/zinc/90/91/97/1010909197.db2.gz JYFRQDBDJACFAH-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001423214990 1010985658 /nfs/dbraw/zinc/98/56/58/1010985658.db2.gz HAKLOSMQKVCKQP-ZIAGYGMSSA-N 1 3 315.458 0.353 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCn2cncn2)CCCC1 ZINC001444535161 1011052945 /nfs/dbraw/zinc/05/29/45/1011052945.db2.gz JRZGCZKSZGTUTP-UHFFFAOYSA-N 1 3 322.457 0.637 20 0 DCADHO CN(C)C(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001423400040 1011123715 /nfs/dbraw/zinc/12/37/15/1011123715.db2.gz JWSWJTLOAQTYCM-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001444701368 1011137166 /nfs/dbraw/zinc/13/71/66/1011137166.db2.gz SXDMCRMUKLVJDY-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001444727708 1011150451 /nfs/dbraw/zinc/15/04/51/1011150451.db2.gz NQKQKIBODOUJDC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001444727708 1011150452 /nfs/dbraw/zinc/15/04/52/1011150452.db2.gz NQKQKIBODOUJDC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC ZINC001423448440 1011156060 /nfs/dbraw/zinc/15/60/60/1011156060.db2.gz CIUFOHRAOZIYDU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NCC ZINC001423448440 1011156063 /nfs/dbraw/zinc/15/60/63/1011156063.db2.gz CIUFOHRAOZIYDU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001423458257 1011163372 /nfs/dbraw/zinc/16/33/72/1011163372.db2.gz AUKDUCMHMIFIEZ-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001423472950 1011173775 /nfs/dbraw/zinc/17/37/75/1011173775.db2.gz DUMOIYZEVPIUQT-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001423639725 1011378470 /nfs/dbraw/zinc/37/84/70/1011378470.db2.gz VBFJABKBUOYSHW-PBHICJAKSA-N 1 3 319.453 0.843 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423645124 1011385607 /nfs/dbraw/zinc/38/56/07/1011385607.db2.gz VYHFMVWRBCANLG-SUMWQHHRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001423690562 1011426045 /nfs/dbraw/zinc/42/60/45/1011426045.db2.gz ZSRMYJBAHMLLCK-UHFFFAOYSA-N 1 3 319.453 0.983 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/CNC(=O)CC[NH+](C)C)CCC1 ZINC001533535803 1011437506 /nfs/dbraw/zinc/43/75/06/1011437506.db2.gz JINWQMKGVXGQAM-AATRIKPKSA-N 1 3 310.442 0.211 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001423762973 1011506895 /nfs/dbraw/zinc/50/68/95/1011506895.db2.gz UYHQOETZFRJRER-BBRMVZONSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001423762973 1011506910 /nfs/dbraw/zinc/50/69/10/1011506910.db2.gz UYHQOETZFRJRER-BBRMVZONSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001431680036 1011536035 /nfs/dbraw/zinc/53/60/35/1011536035.db2.gz MQACCUGATQETLK-ZDUSSCGKSA-N 1 3 321.425 0.177 20 0 DCADHO CCN(CCNC(=O)Cc1nc[nH]c1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431680036 1011536051 /nfs/dbraw/zinc/53/60/51/1011536051.db2.gz MQACCUGATQETLK-ZDUSSCGKSA-N 1 3 321.425 0.177 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445305173 1011632334 /nfs/dbraw/zinc/63/23/34/1011632334.db2.gz RFOYVDVNWGFUQH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001445305173 1011632345 /nfs/dbraw/zinc/63/23/45/1011632345.db2.gz RFOYVDVNWGFUQH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN2CCC([NH2+]CCF)CC2)C1 ZINC001423991846 1011809228 /nfs/dbraw/zinc/80/92/28/1011809228.db2.gz IXEDGJQUWYWQKD-AWEZNQCLSA-N 1 3 314.449 0.468 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001445504382 1011847085 /nfs/dbraw/zinc/84/70/85/1011847085.db2.gz VAJCNHGYWSXADD-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CCC[C@@H](NC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)C1 ZINC001553439451 1011974223 /nfs/dbraw/zinc/97/42/23/1011974223.db2.gz SWLHMHBNRVMNJP-ZIAGYGMSSA-N 1 3 310.442 0.620 20 0 DCADHO CC[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001445633927 1012030056 /nfs/dbraw/zinc/03/00/56/1012030056.db2.gz JOMYSCMLOHWZGK-SWLSCSKDSA-N 1 3 324.469 0.467 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CCCC1 ZINC001553510858 1012055394 /nfs/dbraw/zinc/05/53/94/1012055394.db2.gz YWYSNOYMDFFNGE-XHSDSOJGSA-N 1 3 324.469 0.745 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553513426 1012060020 /nfs/dbraw/zinc/06/00/20/1012060020.db2.gz ZDPAGYZRKJCKIX-OWCLPIDISA-N 1 3 324.469 0.759 20 0 DCADHO [NH3+]CC1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC001553517679 1012065045 /nfs/dbraw/zinc/06/50/45/1012065045.db2.gz JZLCEWWHNSNCIK-QDIHITRGSA-N 1 3 324.469 0.745 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCn2cncn2)CC1)N(C)C ZINC001424254363 1012241674 /nfs/dbraw/zinc/24/16/74/1012241674.db2.gz APPPSHWEVQXGJE-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1)N(C)C ZINC001424254363 1012241690 /nfs/dbraw/zinc/24/16/90/1012241690.db2.gz APPPSHWEVQXGJE-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCn2cncn2)CC1)N(C)C ZINC001424254365 1012244395 /nfs/dbraw/zinc/24/43/95/1012244395.db2.gz APPPSHWEVQXGJE-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1)N(C)C ZINC001424254365 1012244413 /nfs/dbraw/zinc/24/44/13/1012244413.db2.gz APPPSHWEVQXGJE-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(C)C)[C@@H](C)C1 ZINC001424472078 1012544766 /nfs/dbraw/zinc/54/47/66/1012544766.db2.gz OYYVUFIHDUUAMT-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001424475004 1012548191 /nfs/dbraw/zinc/54/81/91/1012548191.db2.gz FZMYGCZJMQLUSC-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CCn1cc(CNC2(C)CCN(C(=O)CC[NH+](C)C)CC2)nn1 ZINC001424486356 1012567705 /nfs/dbraw/zinc/56/77/05/1012567705.db2.gz CPFSNOJQCRRHTE-UHFFFAOYSA-N 1 3 322.457 0.720 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001459286006 1012668136 /nfs/dbraw/zinc/66/81/36/1012668136.db2.gz XCNWDZGEVNBARL-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N[C@H]3COC4(CNC4)C3)cc21 ZINC001548568427 1012726743 /nfs/dbraw/zinc/72/67/43/1012726743.db2.gz GTTDZDQCXBMUJA-HUUCEWRRSA-N 1 3 315.417 0.926 20 0 DCADHO O=C(N[C@H]1COC2(CNC2)C1)c1ccc2c(c1)CC[NH2+]CC2 ZINC001548569235 1012732006 /nfs/dbraw/zinc/73/20/06/1012732006.db2.gz OWOTWESASFJQEA-OAHLLOKOSA-N 1 3 301.390 0.236 20 0 DCADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC001548570779 1012735897 /nfs/dbraw/zinc/73/58/97/1012735897.db2.gz XEGMLNRTLUCCDC-WMLDXEAASA-N 1 3 301.390 0.165 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548587568 1012768629 /nfs/dbraw/zinc/76/86/29/1012768629.db2.gz LEWYZQNPKGVOTK-UHFFFAOYSA-N 1 3 321.446 0.987 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001429873945 1012896951 /nfs/dbraw/zinc/89/69/51/1012896951.db2.gz IDBQFPHXSJIYOY-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001460538638 1012931996 /nfs/dbraw/zinc/93/19/96/1012931996.db2.gz SCMUIQVHSWMSFM-SJORKVTESA-N 1 3 313.486 0.997 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2[NH2+]CC23CCCC3)CC1 ZINC001521187194 1017335053 /nfs/dbraw/zinc/33/50/53/1017335053.db2.gz HCLAGNOOZGQQJE-HNNXBMFYSA-N 1 3 308.470 0.662 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(CCc2ccnn2C)C1 ZINC001506650336 1017436624 /nfs/dbraw/zinc/43/66/24/1017436624.db2.gz MWZWTTGKFNCOJL-CYBMUJFWSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001479322614 1017498397 /nfs/dbraw/zinc/49/83/97/1017498397.db2.gz WRWOETGWXFTYQP-OFQRWUPVSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001479348030 1017512269 /nfs/dbraw/zinc/51/22/69/1017512269.db2.gz MZKHFTZZNITVPQ-MJBXVCDLSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001479556756 1017582833 /nfs/dbraw/zinc/58/28/33/1017582833.db2.gz FQLAJEVTAXOQHL-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001506841378 1017603305 /nfs/dbraw/zinc/60/33/05/1017603305.db2.gz AZNPVTZIAANQQR-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001506970704 1017720670 /nfs/dbraw/zinc/72/06/70/1017720670.db2.gz PFMBXKRIJSMJCT-CYBMUJFWSA-N 1 3 312.458 0.515 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)CC1 ZINC001494586613 1017818157 /nfs/dbraw/zinc/81/81/57/1017818157.db2.gz YLRMMDMIGWFAJR-HNNXBMFYSA-N 1 3 309.454 0.945 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CC12CCN([C@@H]1CCCNC1=O)CC2 ZINC001479985615 1018092440 /nfs/dbraw/zinc/09/24/40/1018092440.db2.gz SAKCPQLZPMKNGX-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001497464461 1018152235 /nfs/dbraw/zinc/15/22/35/1018152235.db2.gz NXDBUKSAKGZTRO-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCn2cncn2)C2CC2)C1 ZINC001480046042 1018155925 /nfs/dbraw/zinc/15/59/25/1018155925.db2.gz DLDXOMQGLIUNQN-DZGCQCFKSA-N 1 3 320.441 0.104 20 0 DCADHO CN(C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCN(C)C1=O ZINC001480084234 1018192345 /nfs/dbraw/zinc/19/23/45/1018192345.db2.gz JUTZEDVDNWBEFW-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001480394649 1018495414 /nfs/dbraw/zinc/49/54/14/1018495414.db2.gz WJZQYMRPFPNCLB-KHMAMNHCSA-N 1 3 322.453 0.042 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001498050275 1018614791 /nfs/dbraw/zinc/61/47/91/1018614791.db2.gz BGMZKIILIHFFFI-ZDUSSCGKSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001495688939 1018651328 /nfs/dbraw/zinc/65/13/28/1018651328.db2.gz YEVHALLSFCVYLR-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001498109938 1018660416 /nfs/dbraw/zinc/66/04/16/1018660416.db2.gz QOQUPRPHOKMUBV-RYUDHWBXSA-N 1 3 300.447 0.336 20 0 DCADHO COc1ncc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001480590384 1018686562 /nfs/dbraw/zinc/68/65/62/1018686562.db2.gz LWOYPCCLKWHAFX-DGCLKSJQSA-N 1 3 321.425 0.340 20 0 DCADHO COc1ncc(CN[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001480590384 1018686564 /nfs/dbraw/zinc/68/65/64/1018686564.db2.gz LWOYPCCLKWHAFX-DGCLKSJQSA-N 1 3 321.425 0.340 20 0 DCADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001498196928 1018743390 /nfs/dbraw/zinc/74/33/90/1018743390.db2.gz CEYHRKLIVUQJRY-WFASDCNBSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@H]([NH2+]CCn1cccn1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070200 1018856180 /nfs/dbraw/zinc/85/61/80/1018856180.db2.gz BSSOYYNNKMZAOC-KBPBESRZSA-N 1 3 316.409 0.676 20 0 DCADHO C[C@H](C[N@H+](C)CCn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001498311885 1018938268 /nfs/dbraw/zinc/93/82/68/1018938268.db2.gz GVJXFSUOWKMBGJ-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H](C[N@@H+](C)CCn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001498311885 1018938277 /nfs/dbraw/zinc/93/82/77/1018938277.db2.gz GVJXFSUOWKMBGJ-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1CCn1cncn1 ZINC001493148398 1019144793 /nfs/dbraw/zinc/14/47/93/1019144793.db2.gz IZKIUJDUOOSOPN-CQSZACIVSA-N 1 3 308.430 0.201 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1CCn1cncn1 ZINC001493148398 1019144802 /nfs/dbraw/zinc/14/48/02/1019144802.db2.gz IZKIUJDUOOSOPN-CQSZACIVSA-N 1 3 308.430 0.201 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001496249798 1019192010 /nfs/dbraw/zinc/19/20/10/1019192010.db2.gz OYVQGCKLZXROQX-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCC[NH2+]Cc1cnn(C)c1)C(=O)[C@H]1CCCCN1C ZINC001498567920 1019233225 /nfs/dbraw/zinc/23/32/25/1019233225.db2.gz MZZNXADGUBRFLR-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC1CCN(CC(=O)N2CCCC[C@H]2CC[NH2+]CC(N)=O)CC1 ZINC001496415567 1019298111 /nfs/dbraw/zinc/29/81/11/1019298111.db2.gz UHWYHKFVTIONFJ-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001498771167 1019414253 /nfs/dbraw/zinc/41/42/53/1019414253.db2.gz UGVRGHMIZFHMPG-QWHCGFSZSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001496564913 1019418454 /nfs/dbraw/zinc/41/84/54/1019418454.db2.gz GGYGJVZMUYSFEE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001496564913 1019418460 /nfs/dbraw/zinc/41/84/60/1019418460.db2.gz GGYGJVZMUYSFEE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(N)=O ZINC001496572604 1019426183 /nfs/dbraw/zinc/42/61/83/1019426183.db2.gz YFXYNZHAXDVFPL-ZDUSSCGKSA-N 1 3 310.442 0.078 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)C1CC1 ZINC001498877321 1019494839 /nfs/dbraw/zinc/49/48/39/1019494839.db2.gz UNOKBUBBGRUKTJ-OCCSQVGLSA-N 1 3 312.458 0.288 20 0 DCADHO CN(CC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)CN(C)C1CCC1 ZINC001493580466 1019537586 /nfs/dbraw/zinc/53/75/86/1019537586.db2.gz RYPFFJZNZNFLPR-WMLDXEAASA-N 1 3 309.454 0.945 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001501968443 1019598445 /nfs/dbraw/zinc/59/84/45/1019598445.db2.gz NOJNOXWTDZSEAS-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001501968443 1019598450 /nfs/dbraw/zinc/59/84/50/1019598450.db2.gz NOJNOXWTDZSEAS-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO CN(C)C(=O)CNCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001493732520 1019667088 /nfs/dbraw/zinc/66/70/88/1019667088.db2.gz OJESZVVZUWLDHN-UHFFFAOYSA-N 1 3 320.437 0.498 20 0 DCADHO O=C(NC[C@@H](NCCO)c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001493889053 1019790459 /nfs/dbraw/zinc/79/04/59/1019790459.db2.gz NEPUFEOTAZCWOX-IAGOWNOFSA-N 1 3 317.433 0.768 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494083072 1019971034 /nfs/dbraw/zinc/97/10/34/1019971034.db2.gz LZBUXEMEWBRPBZ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001494083072 1019971036 /nfs/dbraw/zinc/97/10/36/1019971036.db2.gz LZBUXEMEWBRPBZ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C(N)=O)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001660723287 1174043786 /nfs/dbraw/zinc/04/37/86/1174043786.db2.gz UZLMAEFVSLCZMS-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C(N)=O)N(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001660723287 1174043794 /nfs/dbraw/zinc/04/37/94/1174043794.db2.gz UZLMAEFVSLCZMS-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420068843 282096858 /nfs/dbraw/zinc/09/68/58/282096858.db2.gz VHVBXLOQPRLATP-CQSZACIVSA-N 1 3 322.409 0.023 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000261817140 282255621 /nfs/dbraw/zinc/25/56/21/282255621.db2.gz AJKFELHNGUCESM-ZDUSSCGKSA-N 1 3 306.414 0.369 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236971633 202100999 /nfs/dbraw/zinc/10/09/99/202100999.db2.gz AJAHFJZQQNYFHN-LSDHHAIUSA-N 1 3 308.470 0.518 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430551992 296024700 /nfs/dbraw/zinc/02/47/00/296024700.db2.gz AKKAKGQQECBEDU-NXEZZACHSA-N 1 3 324.347 0.824 20 0 DCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000566209617 291282842 /nfs/dbraw/zinc/28/28/42/291282842.db2.gz YSGYJNSNIQFPBY-CABCVRRESA-N 1 3 309.454 0.977 20 0 DCADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000411000243 239392445 /nfs/dbraw/zinc/39/24/45/239392445.db2.gz VWQYKVKPGPMBAT-UONOGXRCSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419891917 239988257 /nfs/dbraw/zinc/98/82/57/239988257.db2.gz UKUFYDMSQKOYKL-LBPRGKRZSA-N 1 3 324.450 0.116 20 0 DCADHO C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326632 240021107 /nfs/dbraw/zinc/02/11/07/240021107.db2.gz CMXYODAKYVVDMD-MCIONIFRSA-N 1 3 322.453 0.043 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000421512719 240087001 /nfs/dbraw/zinc/08/70/01/240087001.db2.gz JRCXTHXIZLFNOP-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000421512719 240087007 /nfs/dbraw/zinc/08/70/07/240087007.db2.gz JRCXTHXIZLFNOP-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000421512719 240087010 /nfs/dbraw/zinc/08/70/10/240087010.db2.gz JRCXTHXIZLFNOP-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000422457599 240157262 /nfs/dbraw/zinc/15/72/62/240157262.db2.gz UFBZPHTXHMENIM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000422457599 240157265 /nfs/dbraw/zinc/15/72/65/240157265.db2.gz UFBZPHTXHMENIM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000567573568 291361757 /nfs/dbraw/zinc/36/17/57/291361757.db2.gz UAPXINHBKIXCBV-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000567695898 291370657 /nfs/dbraw/zinc/37/06/57/291370657.db2.gz IEQYXNFRXUSCGY-FAHTYWLASA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000567695898 291370659 /nfs/dbraw/zinc/37/06/59/291370659.db2.gz IEQYXNFRXUSCGY-FAHTYWLASA-N 1 3 311.470 0.671 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H](C)O1 ZINC000567695898 291370661 /nfs/dbraw/zinc/37/06/61/291370661.db2.gz IEQYXNFRXUSCGY-FAHTYWLASA-N 1 3 311.470 0.671 20 0 DCADHO COCCN(C)CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000567822079 291381258 /nfs/dbraw/zinc/38/12/58/291381258.db2.gz WLKRDMPZVSCUOL-UHFFFAOYSA-N 1 3 308.426 0.913 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000569204457 291466185 /nfs/dbraw/zinc/46/61/85/291466185.db2.gz RGAJRERNHJANJT-HNNXBMFYSA-N 1 3 309.458 0.160 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C3([NH3+])CCCCC3)C2)nn1 ZINC000570045839 291509205 /nfs/dbraw/zinc/50/92/05/291509205.db2.gz BUKHBTCGZQZSSV-CYBMUJFWSA-N 1 3 306.414 0.562 20 0 DCADHO [NH3+]CCC1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000573380829 291629035 /nfs/dbraw/zinc/62/90/35/291629035.db2.gz CMSWVAMEGPYXHC-OAHLLOKOSA-N 1 3 322.453 0.271 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CCO1 ZINC000573429566 291630988 /nfs/dbraw/zinc/63/09/88/291630988.db2.gz LZNUEWAMKVACPF-HIFRSBDPSA-N 1 3 304.394 0.243 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110865959 194365433 /nfs/dbraw/zinc/36/54/33/194365433.db2.gz PWRBOEHYKIUCQW-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110865959 194365434 /nfs/dbraw/zinc/36/54/34/194365434.db2.gz PWRBOEHYKIUCQW-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCN1CCN(CCC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000338940479 253012748 /nfs/dbraw/zinc/01/27/48/253012748.db2.gz XVYGGEQDJTVBCS-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CCS(=O)(=O)N(C)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067642 253027186 /nfs/dbraw/zinc/02/71/86/253027186.db2.gz BRRTURZKPUCTCV-KBPBESRZSA-N 1 3 303.472 0.874 20 0 DCADHO CCS(=O)(=O)N(C)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067642 253027189 /nfs/dbraw/zinc/02/71/89/253027189.db2.gz BRRTURZKPUCTCV-KBPBESRZSA-N 1 3 303.472 0.874 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340203486 253215900 /nfs/dbraw/zinc/21/59/00/253215900.db2.gz PLTRFKDRWMSHFB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340203486 253215902 /nfs/dbraw/zinc/21/59/02/253215902.db2.gz PLTRFKDRWMSHFB-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CCC[C@H]1[NH3+] ZINC000340123423 253203871 /nfs/dbraw/zinc/20/38/71/253203871.db2.gz QRSXRUARRNEGBO-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CC[NH2+]C1 ZINC000273073875 210452434 /nfs/dbraw/zinc/45/24/34/210452434.db2.gz WAIBKPKHCIOJBO-MRXNPFEDSA-N 1 3 316.449 0.924 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000340768941 253300973 /nfs/dbraw/zinc/30/09/73/253300973.db2.gz FYUQXDBVHDCWJP-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C[NH+]1CCCC1 ZINC000340804965 253306889 /nfs/dbraw/zinc/30/68/89/253306889.db2.gz VFSKQCHCCALKBG-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)C)NC(=O)C1(C(=O)N[C@H](C)C[NH+](C)C)CCC1 ZINC000346223798 254024438 /nfs/dbraw/zinc/02/44/38/254024438.db2.gz NDRDIBGLFYURPO-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000347730449 254183294 /nfs/dbraw/zinc/18/32/94/254183294.db2.gz IRUZUYBQZFXYKJ-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000347730449 254183296 /nfs/dbraw/zinc/18/32/96/254183296.db2.gz IRUZUYBQZFXYKJ-GJZGRUSLSA-N 1 3 324.469 0.197 20 0 DCADHO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000348161796 254223796 /nfs/dbraw/zinc/22/37/96/254223796.db2.gz RYXHAUBDXMHOED-HOTGVXAUSA-N 1 3 310.486 0.907 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000337574236 285247160 /nfs/dbraw/zinc/24/71/60/285247160.db2.gz GODGAKFCTXTYFJ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000337574236 285247161 /nfs/dbraw/zinc/24/71/61/285247161.db2.gz GODGAKFCTXTYFJ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCNC(=O)C3)CC2)CC1 ZINC000151481042 196686846 /nfs/dbraw/zinc/68/68/46/196686846.db2.gz RWLWJICKNXWOKG-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCOC3(CNC3)C2)([NH+](C)C)C1 ZINC000333858235 296454414 /nfs/dbraw/zinc/45/44/14/296454414.db2.gz YTJCDXURLPZNQD-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000340214633 131202752 /nfs/dbraw/zinc/20/27/52/131202752.db2.gz LJRLFTSDZTXKKL-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CSCC[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000040770550 395734902 /nfs/dbraw/zinc/73/49/02/395734902.db2.gz DFSUGBYOXKDPCU-KBPBESRZSA-N 1 3 316.515 0.455 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCOC3)CC2)CC1 ZINC000051761604 395854354 /nfs/dbraw/zinc/85/43/54/395854354.db2.gz OSQNBNJBXGEHDH-CQSZACIVSA-N 1 3 324.469 0.881 20 0 DCADHO CCCC[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000236793651 395898823 /nfs/dbraw/zinc/89/88/23/395898823.db2.gz MYEQVWOHCXKYPE-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000237008123 395901051 /nfs/dbraw/zinc/90/10/51/395901051.db2.gz LSYPYBPOKNSLSO-XHSDSOJGSA-N 1 3 310.486 0.988 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000237008123 395901053 /nfs/dbraw/zinc/90/10/53/395901053.db2.gz LSYPYBPOKNSLSO-XHSDSOJGSA-N 1 3 310.486 0.988 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)CN1CCN(C)CC1 ZINC000237414174 395911652 /nfs/dbraw/zinc/91/16/52/395911652.db2.gz YZYJBPUSLFFTNJ-ZIAGYGMSSA-N 1 3 314.499 0.081 20 0 DCADHO CN(C)CCNC(=O)c1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000119303270 395869228 /nfs/dbraw/zinc/86/92/28/395869228.db2.gz RGRISRCEMVSPGM-UHFFFAOYSA-N 1 3 306.410 0.269 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261616033 396049497 /nfs/dbraw/zinc/04/94/97/396049497.db2.gz AFZJPVKPTMSLGL-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CC(=O)Nc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261774351 396064064 /nfs/dbraw/zinc/06/40/64/396064064.db2.gz RCUFJWLQAQKVEO-HNNXBMFYSA-N 1 3 318.421 0.932 20 0 DCADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000262022198 396090637 /nfs/dbraw/zinc/09/06/37/396090637.db2.gz YHRGWVHRZQWBTA-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO COCCN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@@H]1C ZINC000278949861 396142477 /nfs/dbraw/zinc/14/24/77/396142477.db2.gz HAQOTAJQWLKESB-STQMWFEESA-N 1 3 321.425 0.279 20 0 DCADHO NC(=O)c1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000262252954 396115024 /nfs/dbraw/zinc/11/50/24/396115024.db2.gz QGHVVVXFJBTIPK-UHFFFAOYSA-N 1 3 302.422 0.907 20 0 DCADHO C[NH2+]CCC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000262347670 396128826 /nfs/dbraw/zinc/12/88/26/396128826.db2.gz IPVRQIZFZJYGGE-AWEZNQCLSA-N 1 3 318.421 0.932 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261882665 396075764 /nfs/dbraw/zinc/07/57/64/396075764.db2.gz SAUCQTUQSJTFIP-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO Cc1c(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cnn1C ZINC000261952422 396083668 /nfs/dbraw/zinc/08/36/68/396083668.db2.gz WPMZLSUTDOYRCI-ZBFHGGJFSA-N 1 3 319.453 0.809 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000073416721 396145853 /nfs/dbraw/zinc/14/58/53/396145853.db2.gz WYKWZQUABQEGAT-OAHLLOKOSA-N 1 3 313.490 0.511 20 0 DCADHO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCCN(CC2CCCCC2)CC1 ZINC000262520341 396150360 /nfs/dbraw/zinc/15/03/60/396150360.db2.gz NRIWPBKPWLGGLY-CVEARBPZSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262645048 396167429 /nfs/dbraw/zinc/16/74/29/396167429.db2.gz JUUYIMVGCDEPCC-BBRMVZONSA-N 1 3 305.422 0.895 20 0 DCADHO [NH3+]CCC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000262656877 396168913 /nfs/dbraw/zinc/16/89/13/396168913.db2.gz CTPRVHZROQHBSZ-INIZCTEOSA-N 1 3 305.422 0.897 20 0 DCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000262693092 396173505 /nfs/dbraw/zinc/17/35/05/396173505.db2.gz BLPGAPHYJNKQHK-GXTWGEPZSA-N 1 3 313.442 0.751 20 0 DCADHO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000262699241 396174018 /nfs/dbraw/zinc/17/40/18/396174018.db2.gz GIILMBYBDMERGJ-INIZCTEOSA-N 1 3 310.442 0.271 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000077838433 396235108 /nfs/dbraw/zinc/23/51/08/396235108.db2.gz FLAOZIMHXKATMO-AWEZNQCLSA-N 1 3 310.442 0.227 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000077838433 396235110 /nfs/dbraw/zinc/23/51/10/396235110.db2.gz FLAOZIMHXKATMO-AWEZNQCLSA-N 1 3 310.442 0.227 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000182341995 396249783 /nfs/dbraw/zinc/24/97/83/396249783.db2.gz KAKJLSRDRGCYTK-CYBMUJFWSA-N 1 3 305.488 0.425 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000269246013 396399452 /nfs/dbraw/zinc/39/94/52/396399452.db2.gz DMYPZJYIUJAMDN-ZBFHGGJFSA-N 1 3 321.421 0.009 20 0 DCADHO CNC(=O)CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000519176684 396518906 /nfs/dbraw/zinc/51/89/06/396518906.db2.gz GAZLMNNGXZBUMM-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000581185206 396531712 /nfs/dbraw/zinc/53/17/12/396531712.db2.gz GYOODLXYSUIWAA-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000581486776 396558310 /nfs/dbraw/zinc/55/83/10/396558310.db2.gz BLXGPYXOFNPBLV-UONOGXRCSA-N 1 3 313.442 0.369 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)s1 ZINC000531119120 396590056 /nfs/dbraw/zinc/59/00/56/396590056.db2.gz GOMUPDQFTJOAQU-UHFFFAOYSA-N 1 3 312.439 0.412 20 0 DCADHO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000560979395 396627379 /nfs/dbraw/zinc/62/73/79/396627379.db2.gz NJJSPENCJPZVSR-UHFFFAOYSA-N 1 3 318.421 0.775 20 0 DCADHO C[C@H](CNC[C@H](O)COC1CCOCC1)C[NH+]1CCCC1 ZINC000584834348 396627664 /nfs/dbraw/zinc/62/76/64/396627664.db2.gz KBDFGECZDLZCLM-CABCVRRESA-N 1 3 300.443 0.864 20 0 DCADHO C[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)CN1CCCC1 ZINC000584834348 396627667 /nfs/dbraw/zinc/62/76/67/396627667.db2.gz KBDFGECZDLZCLM-CABCVRRESA-N 1 3 300.443 0.864 20 0 DCADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)C(=O)NC1C[NH2+]C1 ZINC000561256377 396637234 /nfs/dbraw/zinc/63/72/34/396637234.db2.gz BBQLJQKOJPAIEC-OAHLLOKOSA-N 1 3 316.405 0.028 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1=O ZINC000595895068 396677891 /nfs/dbraw/zinc/67/78/91/396677891.db2.gz CJOGQNUUUPQSSC-ZNMIVQPWSA-N 1 3 323.437 0.472 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000562813169 396681080 /nfs/dbraw/zinc/68/10/80/396681080.db2.gz XNVJOAISVHHWQV-HNNXBMFYSA-N 1 3 312.458 0.378 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000595922259 396682512 /nfs/dbraw/zinc/68/25/12/396682512.db2.gz CLIXJCSPQQJUDE-KGLIPLIRSA-N 1 3 311.426 0.505 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000588699146 396688743 /nfs/dbraw/zinc/68/87/43/396688743.db2.gz FBYXKIJFBWBNGC-UONOGXRCSA-N 1 3 308.426 0.021 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000588699146 396688744 /nfs/dbraw/zinc/68/87/44/396688744.db2.gz FBYXKIJFBWBNGC-UONOGXRCSA-N 1 3 308.426 0.021 20 0 DCADHO CN(C[C@H](O)C[NH2+]CC1(N2CCCC2)CCOCC1)C1CC1 ZINC000562985013 396689664 /nfs/dbraw/zinc/68/96/64/396689664.db2.gz NVIJNIAIACIPKF-MRXNPFEDSA-N 1 3 311.470 0.676 20 0 DCADHO CN1CCN(C(=O)NCC[NH2+]C2CCCCCC2)[C@@H](CN)C1 ZINC000563799331 396779433 /nfs/dbraw/zinc/77/94/33/396779433.db2.gz SORQUIZHXMKAMZ-HNNXBMFYSA-N 1 3 311.474 0.583 20 0 DCADHO O[C@H](C[NH2+]CCc1nnc2n1CCCCC2)CN1CCCC1 ZINC000629555125 396784091 /nfs/dbraw/zinc/78/40/91/396784091.db2.gz VXRBRUOKISMWGL-CQSZACIVSA-N 1 3 307.442 0.593 20 0 DCADHO O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629558709 396785956 /nfs/dbraw/zinc/78/59/56/396785956.db2.gz LZGZBUPRSUSGOF-MRXNPFEDSA-N 1 3 323.412 0.531 20 0 DCADHO C[C@@H](Cn1cc(Br)cn1)NC[C@H](O)C[NH+](C)C ZINC000305131526 396738602 /nfs/dbraw/zinc/73/86/02/396738602.db2.gz NEFJUIWFTCIPIH-ONGXEEELSA-N 1 3 305.220 0.546 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)C1 ZINC000332642690 396890783 /nfs/dbraw/zinc/89/07/83/396890783.db2.gz RYDPHRIBDYBAQL-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333794842 396932252 /nfs/dbraw/zinc/93/22/52/396932252.db2.gz NBFNGJPQSCWBRW-ZIAGYGMSSA-N 1 3 311.474 0.310 20 0 DCADHO O[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339780907 396962303 /nfs/dbraw/zinc/96/23/03/396962303.db2.gz KLOSLABZNDKVNN-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO O[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339780907 396962308 /nfs/dbraw/zinc/96/23/08/396962308.db2.gz KLOSLABZNDKVNN-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO O[C@@H]1CCC[N@@H+](CCOCCN2CCC[C@H](O)CC2)CC1 ZINC000339780907 396962314 /nfs/dbraw/zinc/96/23/14/396962314.db2.gz KLOSLABZNDKVNN-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO O[C@@H]1CCC[N@H+](CCOCCN2CCC[C@H](O)CC2)CC1 ZINC000339780907 396962319 /nfs/dbraw/zinc/96/23/19/396962319.db2.gz KLOSLABZNDKVNN-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO CC(C)(C)[C@H](CO)NCC1(C[NH2+][C@H](CO)C(C)(C)C)COC1 ZINC000571863278 396994808 /nfs/dbraw/zinc/99/48/08/396994808.db2.gz KNTSHPNEDRGEKJ-OKILXGFUSA-N 1 3 316.486 0.996 20 0 DCADHO CC(C)(C)[C@H](CO)[NH2+]CC1(CN[C@H](CO)C(C)(C)C)COC1 ZINC000571863278 396994812 /nfs/dbraw/zinc/99/48/12/396994812.db2.gz KNTSHPNEDRGEKJ-OKILXGFUSA-N 1 3 316.486 0.996 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000347318009 397029262 /nfs/dbraw/zinc/02/92/62/397029262.db2.gz SMMPOHNZFDCZML-JYJNAYRXSA-N 1 3 310.486 0.894 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](CCC)C2)C1 ZINC000612550267 397094559 /nfs/dbraw/zinc/09/45/59/397094559.db2.gz DIGPCORPUFHDOB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000612550267 397094567 /nfs/dbraw/zinc/09/45/67/397094567.db2.gz DIGPCORPUFHDOB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000630761509 397099510 /nfs/dbraw/zinc/09/95/10/397099510.db2.gz GFSSAVWLRSNFHR-GJZGRUSLSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000630761509 397099512 /nfs/dbraw/zinc/09/95/12/397099512.db2.gz GFSSAVWLRSNFHR-GJZGRUSLSA-N 1 3 305.426 0.801 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000572361628 397051019 /nfs/dbraw/zinc/05/10/19/397051019.db2.gz VEVNKWIQRURVFB-AAEUAGOBSA-N 1 3 306.414 0.230 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612964455 397165387 /nfs/dbraw/zinc/16/53/87/397165387.db2.gz RLVPQOMWNYACPH-HNNXBMFYSA-N 1 3 323.485 0.454 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000573686852 397195890 /nfs/dbraw/zinc/19/58/90/397195890.db2.gz WKLZHSYDFQRNKE-QWHCGFSZSA-N 1 3 306.414 0.102 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CCN3CCOCC3)C2)CCN1C ZINC000378170448 397204497 /nfs/dbraw/zinc/20/44/97/397204497.db2.gz SDTVOKUFFWJXEX-IXDOHACOSA-N 1 3 310.486 0.465 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602007846 397283728 /nfs/dbraw/zinc/28/37/28/397283728.db2.gz ZXURZOCGSURWNY-CQSZACIVSA-N 1 3 322.453 0.927 20 0 DCADHO N[C@@H]1C[C@H]2CN(C(=O)CC3(C[NH3+])CCCCC3)CCN2C1=O ZINC000574652510 397288323 /nfs/dbraw/zinc/28/83/23/397288323.db2.gz QATWPFXEMGYZEF-QWHCGFSZSA-N 1 3 308.426 0.056 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC000602123045 397309798 /nfs/dbraw/zinc/30/97/98/397309798.db2.gz SXMJVZHGQOUGME-MRXNPFEDSA-N 1 3 322.497 0.955 20 0 DCADHO NC(=O)c1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000577610358 397344619 /nfs/dbraw/zinc/34/46/19/397344619.db2.gz FURYUWYPHAWGRM-OAHLLOKOSA-N 1 3 303.406 0.973 20 0 DCADHO C[C@@H]1C[C@H](CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000414696607 397367474 /nfs/dbraw/zinc/36/74/74/397367474.db2.gz BAWVKCPMPSCMBD-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCN(C2CCC2)C1 ZINC000577999375 397378368 /nfs/dbraw/zinc/37/83/68/397378368.db2.gz PZTMUVKZQQEXII-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419775892 397383068 /nfs/dbraw/zinc/38/30/68/397383068.db2.gz LKVLWMQQJQQDKP-STQMWFEESA-N 1 3 310.442 0.077 20 0 DCADHO COC(=O)c1cc(CN[C@@H](C)CC[NH+]2CCN(C)CC2)on1 ZINC000602615844 397450306 /nfs/dbraw/zinc/45/03/06/397450306.db2.gz LPTLMLAJJJHJJB-LBPRGKRZSA-N 1 3 310.398 0.577 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@@H](C)C(=O)N(C)CC)CC[NH2+]CC1 ZINC000423070745 397393871 /nfs/dbraw/zinc/39/38/71/397393871.db2.gz NOHXTEQRIGXHKY-STQMWFEESA-N 1 3 313.442 0.764 20 0 DCADHO CCN1CCN(CCNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000370195225 397453556 /nfs/dbraw/zinc/45/35/56/397453556.db2.gz SSHYPPIKPLRMIL-UHFFFAOYSA-N 1 3 316.449 0.236 20 0 DCADHO CO[C@H]1CCN(CCCN2CCN(C(C)C)CC2)[C@@H](C[NH3+])C1 ZINC000578323984 397420117 /nfs/dbraw/zinc/42/01/17/397420117.db2.gz ASMXGZPVRBRRRS-SJORKVTESA-N 1 3 312.502 0.841 20 0 DCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CN1Cc1ccccc1 ZINC000479293019 397458821 /nfs/dbraw/zinc/45/88/21/397458821.db2.gz GLKWTLYDOKHHNT-ARLBYUKCSA-N 1 3 303.406 0.488 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000487947946 397480266 /nfs/dbraw/zinc/48/02/66/397480266.db2.gz LSPZSWIKQMZRHJ-VGWMRTNUSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000487947946 397480271 /nfs/dbraw/zinc/48/02/71/397480271.db2.gz LSPZSWIKQMZRHJ-VGWMRTNUSA-N 1 3 309.454 0.896 20 0 DCADHO C[NH+](C)C/C=C/C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000491905768 397507145 /nfs/dbraw/zinc/50/71/45/397507145.db2.gz FNHNGKUXCKORIZ-AHKGRUIUSA-N 1 3 317.433 0.857 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000579341254 397552548 /nfs/dbraw/zinc/55/25/48/397552548.db2.gz DYFRQPAUGWUZCH-ZNMIVQPWSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000579341254 397552553 /nfs/dbraw/zinc/55/25/53/397552553.db2.gz DYFRQPAUGWUZCH-ZNMIVQPWSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)(CNC(=O)NC[C@H]1C[NH2+]CCCO1)N1CCCCC1 ZINC000579811994 397593296 /nfs/dbraw/zinc/59/32/96/397593296.db2.gz HCZYNSRFUFBNFZ-CQSZACIVSA-N 1 3 312.458 0.929 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000604166456 397632015 /nfs/dbraw/zinc/63/20/15/397632015.db2.gz WWQVOZVHXNYXAJ-AWEZNQCLSA-N 1 3 323.485 0.548 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000604166456 397632019 /nfs/dbraw/zinc/63/20/19/397632019.db2.gz WWQVOZVHXNYXAJ-AWEZNQCLSA-N 1 3 323.485 0.548 20 0 DCADHO CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)CC1 ZINC000606369090 397679636 /nfs/dbraw/zinc/67/96/36/397679636.db2.gz VMVYWXSUOCAZNS-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCOC1 ZINC000607244683 397700060 /nfs/dbraw/zinc/70/00/60/397700060.db2.gz VGERCSVEEJCVSF-HNNXBMFYSA-N 1 3 300.447 0.548 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000120643420 158202220 /nfs/dbraw/zinc/20/22/20/158202220.db2.gz XLWNCUNXWFAQFS-INIZCTEOSA-N 1 3 308.470 0.711 20 0 DCADHO C[N@H+]1CCC[C@H]1CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000120643420 158202222 /nfs/dbraw/zinc/20/22/22/158202222.db2.gz XLWNCUNXWFAQFS-INIZCTEOSA-N 1 3 308.470 0.711 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000317324978 159004295 /nfs/dbraw/zinc/00/42/95/159004295.db2.gz CWYHAIABKOLTKO-ZFWWWQNUSA-N 1 3 312.458 0.324 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000187124118 287058524 /nfs/dbraw/zinc/05/85/24/287058524.db2.gz WVYHFKRBSNBKPH-CQSZACIVSA-N 1 3 300.447 0.474 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000246483421 287084226 /nfs/dbraw/zinc/08/42/26/287084226.db2.gz OUAPFOMNDJZCNY-JKSUJKDBSA-N 1 3 305.422 0.956 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262059339 287127813 /nfs/dbraw/zinc/12/78/13/287127813.db2.gz ARAUIBHKXLVINO-DZGCQCFKSA-N 1 3 317.437 0.561 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1CCCN(CCCO)C1 ZINC000418342503 287244856 /nfs/dbraw/zinc/24/48/56/287244856.db2.gz ISNLUOBGOMYNPE-HUUCEWRRSA-N 1 3 312.458 0.522 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418400607 287248543 /nfs/dbraw/zinc/24/85/43/287248543.db2.gz FXMDNKDSWPDTCX-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000419023073 287262466 /nfs/dbraw/zinc/26/24/66/287262466.db2.gz IZQUPHPFCQJGIS-KBUPBQIOSA-N 1 3 324.469 0.289 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419226484 287275551 /nfs/dbraw/zinc/27/55/51/287275551.db2.gz JADZPJKCPCNITB-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000419242906 287277087 /nfs/dbraw/zinc/27/70/87/287277087.db2.gz SUNUGFLDMRURMH-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000419338445 287281753 /nfs/dbraw/zinc/28/17/53/287281753.db2.gz SOOFDOCYFFWORN-YRGRVCCFSA-N 1 3 310.442 0.075 20 0 DCADHO COc1cccc(OCCN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000420289891 287286003 /nfs/dbraw/zinc/28/60/03/287286003.db2.gz IKPNCEVMPBGAQR-CQSZACIVSA-N 1 3 321.421 0.861 20 0 DCADHO O=C(CN1CCCC1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420310352 287289037 /nfs/dbraw/zinc/28/90/37/287289037.db2.gz FXIQGRUOQUOFPZ-INIZCTEOSA-N 1 3 308.470 0.616 20 0 DCADHO CN(C)[C@@H](CNC(=O)CNCC1([NH3+])CCC1)c1ccccc1 ZINC000420310384 287289249 /nfs/dbraw/zinc/28/92/49/287289249.db2.gz PSVGDOFSOVKBJT-HNNXBMFYSA-N 1 3 304.438 0.877 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352351124 415140913 /nfs/dbraw/zinc/14/09/13/415140913.db2.gz WFFSNNBWAHAJIM-YOEHRIQHSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352351124 415140923 /nfs/dbraw/zinc/14/09/23/415140923.db2.gz WFFSNNBWAHAJIM-YOEHRIQHSA-N 1 3 311.470 0.627 20 0 DCADHO COC[C@]1(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CCC[NH2+]1 ZINC000331763133 415194361 /nfs/dbraw/zinc/19/43/61/415194361.db2.gz HGDOAYFUEQODEN-YQQAZPJKSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000422882448 287301210 /nfs/dbraw/zinc/30/12/10/287301210.db2.gz SGVOIDCVHKMZMB-XMZIXOGTSA-N 1 3 304.394 0.957 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC1 ZINC000332578843 415417499 /nfs/dbraw/zinc/41/74/99/415417499.db2.gz ALZVQKFSKSTMCW-YDHLFZDLSA-N 1 3 322.453 0.267 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332593701 415421785 /nfs/dbraw/zinc/42/17/85/415421785.db2.gz GYPZJEGTGKTMLM-MCIONIFRSA-N 1 3 308.426 0.021 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000342954300 415374888 /nfs/dbraw/zinc/37/48/88/415374888.db2.gz XPICBWPCVQNHLC-BETUJISGSA-N 1 3 300.447 0.289 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000342954300 415374894 /nfs/dbraw/zinc/37/48/94/415374894.db2.gz XPICBWPCVQNHLC-BETUJISGSA-N 1 3 300.447 0.289 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000332844973 415493006 /nfs/dbraw/zinc/49/30/06/415493006.db2.gz YINCZVPXXCPYQD-UKRRQHHQSA-N 1 3 310.442 0.657 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000332844973 415493013 /nfs/dbraw/zinc/49/30/13/415493013.db2.gz YINCZVPXXCPYQD-UKRRQHHQSA-N 1 3 310.442 0.657 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000343213522 415506546 /nfs/dbraw/zinc/50/65/46/415506546.db2.gz WZHLLEDJPDXRSA-OAHLLOKOSA-N 1 3 308.470 0.520 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278922275 415514562 /nfs/dbraw/zinc/51/45/62/415514562.db2.gz DGJAALYNOWSGFL-JHJVBQTASA-N 1 3 303.410 0.795 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)NCCN(C)C1CC1)[NH+]1CCCCC1 ZINC000343287361 415532846 /nfs/dbraw/zinc/53/28/46/415532846.db2.gz OMSLEXPDYNCXLQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304462 415545903 /nfs/dbraw/zinc/54/59/03/415545903.db2.gz VCKOQQCWRCRUOX-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304462 415545909 /nfs/dbraw/zinc/54/59/09/415545909.db2.gz VCKOQQCWRCRUOX-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+][C@@H]1CCc2nc(NC(=O)C[C@H]3CSCCN3)sc2C1 ZINC000343482267 415613401 /nfs/dbraw/zinc/61/34/01/415613401.db2.gz TWZZGVMXHXRFFK-BDAKNGLRSA-N 1 3 312.464 0.993 20 0 DCADHO CSCC[C@@H]([NH3+])C(=O)N(C)CCCN1CCN(C)CC1 ZINC000353668392 415619337 /nfs/dbraw/zinc/61/93/37/415619337.db2.gz NRPMCGCAENMCCF-CYBMUJFWSA-N 1 3 302.488 0.163 20 0 DCADHO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@H]1CCC[NH2+]C1 ZINC000333368050 415625911 /nfs/dbraw/zinc/62/59/11/415625911.db2.gz FBMFPPMFBHWZLJ-PAPYEOQZSA-N 1 3 320.441 0.244 20 0 DCADHO CCN1CC[C@@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000353753072 415648045 /nfs/dbraw/zinc/64/80/45/415648045.db2.gz UZWRBZQBDIRWDW-TZMCWYRMSA-N 1 3 308.426 0.389 20 0 DCADHO CCN1CC[C@@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C ZINC000353753072 415648052 /nfs/dbraw/zinc/64/80/52/415648052.db2.gz UZWRBZQBDIRWDW-TZMCWYRMSA-N 1 3 308.426 0.389 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000343665769 415676958 /nfs/dbraw/zinc/67/69/58/415676958.db2.gz KPLPMDZGCYFTKL-HOCLYGCPSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000343665769 415676962 /nfs/dbraw/zinc/67/69/62/415676962.db2.gz KPLPMDZGCYFTKL-HOCLYGCPSA-N 1 3 306.454 0.509 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000343841990 415747700 /nfs/dbraw/zinc/74/77/00/415747700.db2.gz ACDOMNMEBQCRHI-HZSPNIEDSA-N 1 3 311.426 0.741 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000343841990 415747708 /nfs/dbraw/zinc/74/77/08/415747708.db2.gz ACDOMNMEBQCRHI-HZSPNIEDSA-N 1 3 311.426 0.741 20 0 DCADHO CCC[N@H+](CCN1CCNC1=O)CCN1CCN(CC)CC1 ZINC000344125528 415842050 /nfs/dbraw/zinc/84/20/50/415842050.db2.gz HXGMNROPJSEDAV-UHFFFAOYSA-N 1 3 311.474 0.361 20 0 DCADHO CCC[N@@H+](CCN1CCNC1=O)CCN1CCN(CC)CC1 ZINC000344125528 415842058 /nfs/dbraw/zinc/84/20/58/415842058.db2.gz HXGMNROPJSEDAV-UHFFFAOYSA-N 1 3 311.474 0.361 20 0 DCADHO CN(C[C@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336863054 415846729 /nfs/dbraw/zinc/84/67/29/415846729.db2.gz HQVZPUHNMOQCRZ-RDJZCZTQSA-N 1 3 311.470 0.486 20 0 DCADHO CN(C[C@H](O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336863054 415846732 /nfs/dbraw/zinc/84/67/32/415846732.db2.gz HQVZPUHNMOQCRZ-RDJZCZTQSA-N 1 3 311.470 0.486 20 0 DCADHO C[N@H+](C[C@H](O)CN1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336863054 415846734 /nfs/dbraw/zinc/84/67/34/415846734.db2.gz HQVZPUHNMOQCRZ-RDJZCZTQSA-N 1 3 311.470 0.486 20 0 DCADHO C[N@@H+](C[C@H](O)CN1CCC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336863054 415846737 /nfs/dbraw/zinc/84/67/37/415846737.db2.gz HQVZPUHNMOQCRZ-RDJZCZTQSA-N 1 3 311.470 0.486 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000356204355 415880079 /nfs/dbraw/zinc/88/00/79/415880079.db2.gz MLVDMHZBRQWSLJ-HUUCEWRRSA-N 1 3 303.410 0.841 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000356204355 415880087 /nfs/dbraw/zinc/88/00/87/415880087.db2.gz MLVDMHZBRQWSLJ-HUUCEWRRSA-N 1 3 303.410 0.841 20 0 DCADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)C1 ZINC000356247758 415891059 /nfs/dbraw/zinc/89/10/59/415891059.db2.gz XYDUUGUKKUDLQY-NVXWUHKLSA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)C1 ZINC000356247758 415891064 /nfs/dbraw/zinc/89/10/64/415891064.db2.gz XYDUUGUKKUDLQY-NVXWUHKLSA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000128455359 415899001 /nfs/dbraw/zinc/89/90/01/415899001.db2.gz JZIDOISQVILKND-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO C[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000128455359 415899008 /nfs/dbraw/zinc/89/90/08/415899008.db2.gz JZIDOISQVILKND-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)CC[C@H]21 ZINC000344426564 415912891 /nfs/dbraw/zinc/91/28/91/415912891.db2.gz NLEADBBWQBTUOR-OAGGEKHMSA-N 1 3 306.454 0.319 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CN4CCN3CCC4)CC[C@H]21 ZINC000344426564 415912896 /nfs/dbraw/zinc/91/28/96/415912896.db2.gz NLEADBBWQBTUOR-OAGGEKHMSA-N 1 3 306.454 0.319 20 0 DCADHO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000296400437 415926176 /nfs/dbraw/zinc/92/61/76/415926176.db2.gz LLCNNWNJSHRXFQ-OLZOCXBDSA-N 1 3 303.410 0.947 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCCC1=O ZINC000337589882 415980837 /nfs/dbraw/zinc/98/08/37/415980837.db2.gz WCVFFJYBUHENAQ-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN1CCCC1=O ZINC000337589882 415980840 /nfs/dbraw/zinc/98/08/40/415980840.db2.gz WCVFFJYBUHENAQ-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000337690772 415997308 /nfs/dbraw/zinc/99/73/08/415997308.db2.gz UKUQZGUUYZTNHP-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(CCOC)C2)C1 ZINC000337690772 415997309 /nfs/dbraw/zinc/99/73/09/415997309.db2.gz UKUQZGUUYZTNHP-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000357202261 416044682 /nfs/dbraw/zinc/04/46/82/416044682.db2.gz DMSMDAJMEUDAND-GJZGRUSLSA-N 1 3 322.453 0.234 20 0 DCADHO CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000357202261 416044684 /nfs/dbraw/zinc/04/46/84/416044684.db2.gz DMSMDAJMEUDAND-GJZGRUSLSA-N 1 3 322.453 0.234 20 0 DCADHO CS[C@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@@H]1[NH+](C)C ZINC000338275424 416069130 /nfs/dbraw/zinc/06/91/30/416069130.db2.gz IQICQEZKFBKCSW-KBPBESRZSA-N 1 3 314.499 0.128 20 0 DCADHO CCn1cc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cn1 ZINC000168935271 416025949 /nfs/dbraw/zinc/02/59/49/416025949.db2.gz CFJRIZZFWWIOSS-MRXNPFEDSA-N 1 3 323.485 0.944 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000170901089 416035587 /nfs/dbraw/zinc/03/55/87/416035587.db2.gz DBRIMTMDQXCNAF-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000170901089 416035591 /nfs/dbraw/zinc/03/55/91/416035591.db2.gz DBRIMTMDQXCNAF-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000170901089 416035593 /nfs/dbraw/zinc/03/55/93/416035593.db2.gz DBRIMTMDQXCNAF-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CCC(=O)Nc1ccccc1F)CCN1CC[NH2+]CC1 ZINC000315982478 416114809 /nfs/dbraw/zinc/11/48/09/416114809.db2.gz BOLSZUCNRVQQJQ-UHFFFAOYSA-N 1 3 308.401 0.991 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357703825 416119323 /nfs/dbraw/zinc/11/93/23/416119323.db2.gz DBEJSDFEJDBPFL-HUUCEWRRSA-N 1 3 323.462 0.978 20 0 DCADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](N)CC(F)F)CC1 ZINC000345694070 416135345 /nfs/dbraw/zinc/13/53/45/416135345.db2.gz DADRUNWBTGUXGH-LBPRGKRZSA-N 1 3 307.385 0.975 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000340511810 416190540 /nfs/dbraw/zinc/19/05/40/416190540.db2.gz RVLMUWDALAHSJO-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000340511810 416190545 /nfs/dbraw/zinc/19/05/45/416190545.db2.gz RVLMUWDALAHSJO-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358105961 416192823 /nfs/dbraw/zinc/19/28/23/416192823.db2.gz WZCWJMBFYCUSME-AWEZNQCLSA-N 1 3 312.458 0.904 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358105961 416192824 /nfs/dbraw/zinc/19/28/24/416192824.db2.gz WZCWJMBFYCUSME-AWEZNQCLSA-N 1 3 312.458 0.904 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000358101421 416193089 /nfs/dbraw/zinc/19/30/89/416193089.db2.gz UVPBEDMGNIOAKC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000358101421 416193093 /nfs/dbraw/zinc/19/30/93/416193093.db2.gz UVPBEDMGNIOAKC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO c1cc(N2CCN(CCCNC3=[NH+]CCCN3)CC2)ccn1 ZINC000341629679 416216697 /nfs/dbraw/zinc/21/66/97/416216697.db2.gz YYMXFKGWAYAGTO-UHFFFAOYSA-N 1 3 302.426 0.533 20 0 DCADHO C[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)C(C)(C)C[NH+](C)C ZINC000358712535 416272403 /nfs/dbraw/zinc/27/24/03/416272403.db2.gz VJKLEPXIHQBLQX-IUODEOHRSA-N 1 3 300.447 0.329 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552167 416335715 /nfs/dbraw/zinc/33/57/15/416335715.db2.gz QZRDWUXSYDIWHY-NUEKZKHPSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552167 416335716 /nfs/dbraw/zinc/33/57/16/416335716.db2.gz QZRDWUXSYDIWHY-NUEKZKHPSA-N 1 3 305.422 0.987 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1CC[NH+](C)CC1 ZINC000360140668 416374385 /nfs/dbraw/zinc/37/43/85/416374385.db2.gz IVSHYESMEAVQDX-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662243 416388717 /nfs/dbraw/zinc/38/87/17/416388717.db2.gz SOVJDAHCOSLTGN-HRCADAONSA-N 1 3 324.469 0.521 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419528523 416403220 /nfs/dbraw/zinc/40/32/20/416403220.db2.gz WGFRFTIMQQMJLC-DZGCQCFKSA-N 1 3 320.437 0.649 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419528523 416403222 /nfs/dbraw/zinc/40/32/22/416403222.db2.gz WGFRFTIMQQMJLC-DZGCQCFKSA-N 1 3 320.437 0.649 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419625857 416404867 /nfs/dbraw/zinc/40/48/67/416404867.db2.gz BOAILELPUAJGEF-UHFFFAOYSA-N 1 3 320.437 0.480 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419737321 416407611 /nfs/dbraw/zinc/40/76/11/416407611.db2.gz SUFHNBPFTUHSKC-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419766567 416409790 /nfs/dbraw/zinc/40/97/90/416409790.db2.gz RNLZBRZBTIAZKH-UHFFFAOYSA-N 1 3 310.442 0.261 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419773013 416410120 /nfs/dbraw/zinc/41/01/20/416410120.db2.gz IGYITSDSMKGZQI-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419775096 416410236 /nfs/dbraw/zinc/41/02/36/416410236.db2.gz KNNCGDLPLGSZRF-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419784661 416411580 /nfs/dbraw/zinc/41/15/80/416411580.db2.gz XHDOMUXQOIJQDI-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419784263 416411618 /nfs/dbraw/zinc/41/16/18/416411618.db2.gz WLOLZWLVJVTZMC-MJBXVCDLSA-N 1 3 324.469 0.609 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458374065 416460942 /nfs/dbraw/zinc/46/09/42/416460942.db2.gz BUBFAFJUQJMLRZ-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458374065 416460947 /nfs/dbraw/zinc/46/09/47/416460947.db2.gz BUBFAFJUQJMLRZ-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000583430135 416462764 /nfs/dbraw/zinc/46/27/64/416462764.db2.gz PXNPBLXCHSVLNW-RRFJBIMHSA-N 1 3 310.442 0.348 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423059003 416463118 /nfs/dbraw/zinc/46/31/18/416463118.db2.gz DSAVANKSRUZTRN-UHFFFAOYSA-N 1 3 314.474 0.476 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C1 ZINC000423063250 416464949 /nfs/dbraw/zinc/46/49/49/416464949.db2.gz OJRPCUKAETXARD-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C[N@@H+]1C1CC1 ZINC000458511709 416476905 /nfs/dbraw/zinc/47/69/05/416476905.db2.gz JCXNWWYSRDSNAE-ILXRZTDVSA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C[N@H+]1C1CC1 ZINC000458511709 416476908 /nfs/dbraw/zinc/47/69/08/416476908.db2.gz JCXNWWYSRDSNAE-ILXRZTDVSA-N 1 3 324.469 0.758 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423283981 416485916 /nfs/dbraw/zinc/48/59/16/416485916.db2.gz XVLQBWNHOKEDBO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000422255341 416422775 /nfs/dbraw/zinc/42/27/75/416422775.db2.gz CQYDNYNVDXVOSE-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000422255341 416422776 /nfs/dbraw/zinc/42/27/76/416422776.db2.gz CQYDNYNVDXVOSE-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO COCCN(C)CCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458243758 416447360 /nfs/dbraw/zinc/44/73/60/416447360.db2.gz SHDJWFYIJIMUPI-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO COCCN(C)CCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458243758 416447365 /nfs/dbraw/zinc/44/73/65/416447365.db2.gz SHDJWFYIJIMUPI-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422970089 416453629 /nfs/dbraw/zinc/45/36/29/416453629.db2.gz FIGWAIBFJPCVKS-MOKVOYLWSA-N 1 3 312.458 0.609 20 0 DCADHO CCC[C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000423629970 416531314 /nfs/dbraw/zinc/53/13/14/416531314.db2.gz KWLHTNKWHUYHDF-VXGBXAGGSA-N 1 3 324.391 0.669 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000423673535 416537881 /nfs/dbraw/zinc/53/78/81/416537881.db2.gz GVAFFTGAMQNNHZ-ZIAGYGMSSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000536551743 416543097 /nfs/dbraw/zinc/54/30/97/416543097.db2.gz MOHDJNMCTFQGGF-PMPSAXMXSA-N 1 3 308.470 0.423 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000536551743 416543100 /nfs/dbraw/zinc/54/31/00/416543100.db2.gz MOHDJNMCTFQGGF-PMPSAXMXSA-N 1 3 308.470 0.423 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423360256 416496108 /nfs/dbraw/zinc/49/61/08/416496108.db2.gz QFGZMRNGGIQVBX-OKILXGFUSA-N 1 3 309.454 0.944 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000458768779 416497684 /nfs/dbraw/zinc/49/76/84/416497684.db2.gz WDTDGRXBPCLOIK-AWEZNQCLSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423394820 416502680 /nfs/dbraw/zinc/50/26/80/416502680.db2.gz SLUPHXAZCSMDCK-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423405555 416506655 /nfs/dbraw/zinc/50/66/55/416506655.db2.gz ZUALOCLLPGVEJA-GOEBONIOSA-N 1 3 324.469 0.372 20 0 DCADHO CN1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000584221768 416508815 /nfs/dbraw/zinc/50/88/15/416508815.db2.gz QMDVXBICGRWQSX-ZBFHGGJFSA-N 1 3 317.437 0.158 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423440904 416512257 /nfs/dbraw/zinc/51/22/57/416512257.db2.gz XSNDMUDJMRVENM-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)NC1CCN(C2CC2)CC1 ZINC000435240774 416515531 /nfs/dbraw/zinc/51/55/31/416515531.db2.gz CILHQTDUQWCHAS-MRXNPFEDSA-N 1 3 306.454 0.556 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423509927 416519268 /nfs/dbraw/zinc/51/92/68/416519268.db2.gz OYCXXMFMHHMRMT-ZDUSSCGKSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccn(C)n1 ZINC000541733437 416612027 /nfs/dbraw/zinc/61/20/27/416612027.db2.gz VITZCEVZJHYBID-INIZCTEOSA-N 1 3 323.485 0.851 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000441671127 416678861 /nfs/dbraw/zinc/67/88/61/416678861.db2.gz SLQXZLMUTSWCRK-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424141779 416616622 /nfs/dbraw/zinc/61/66/22/416616622.db2.gz XJCMAPKXTBJSKL-UONOGXRCSA-N 1 3 320.441 0.616 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CN1C1CC1 ZINC000424160856 416619837 /nfs/dbraw/zinc/61/98/37/416619837.db2.gz XLOHBXKTWABRJC-YRGRVCCFSA-N 1 3 318.425 0.558 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000542246752 416622220 /nfs/dbraw/zinc/62/22/20/416622220.db2.gz VCYAZIKRUPSDFY-IMJJTQAJSA-N 1 3 309.454 0.678 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424456597 416649181 /nfs/dbraw/zinc/64/91/81/416649181.db2.gz XHPDSRWXSGZVLK-HUUCEWRRSA-N 1 3 311.474 0.582 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000545176444 416665114 /nfs/dbraw/zinc/66/51/14/416665114.db2.gz KOUNXHRZAIWULF-CJNGLKHVSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000545176444 416665118 /nfs/dbraw/zinc/66/51/18/416665118.db2.gz KOUNXHRZAIWULF-CJNGLKHVSA-N 1 3 310.442 0.369 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](O)C3)CC2)CC1 ZINC000557657260 416745104 /nfs/dbraw/zinc/74/51/04/416745104.db2.gz JXPVMTADNLSUEU-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO COCCCS(=O)(=O)NCCN1CCC[C@H](CC[NH3+])C1 ZINC000443077097 416730723 /nfs/dbraw/zinc/73/07/23/416730723.db2.gz UBNGXLCUCNDOIR-CYBMUJFWSA-N 1 3 307.460 0.003 20 0 DCADHO C[C@H]1CC2(CN1S(=O)(=O)CCCN(C)C)CC[NH2+]CC2 ZINC000631946629 416823920 /nfs/dbraw/zinc/82/39/20/416823920.db2.gz FYRJAJHDCWUPKC-ZDUSSCGKSA-N 1 3 303.472 0.732 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631923714 416803428 /nfs/dbraw/zinc/80/34/28/416803428.db2.gz XBBYOMQZIQWWEB-JSGCOSHPSA-N 1 3 318.487 0.187 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631936308 416816531 /nfs/dbraw/zinc/81/65/31/416816531.db2.gz YZEYMMUYTJZIMA-AWEZNQCLSA-N 1 3 303.472 0.863 20 0 DCADHO CCCN1C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000518720775 416869015 /nfs/dbraw/zinc/86/90/15/416869015.db2.gz YZTFQEMEYBBPLE-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369778511 416825676 /nfs/dbraw/zinc/82/56/76/416825676.db2.gz RDDXEYDLWFUAAB-HOTGVXAUSA-N 1 3 310.486 0.813 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631992565 416852297 /nfs/dbraw/zinc/85/22/97/416852297.db2.gz DGKKJGIDGXHYBT-HUUCEWRRSA-N 1 3 315.483 0.876 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000564979699 416900834 /nfs/dbraw/zinc/90/08/34/416900834.db2.gz MITWEBXIVMTHAW-CHWSQXEVSA-N 1 3 300.447 0.275 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000519591755 416920739 /nfs/dbraw/zinc/92/07/39/416920739.db2.gz SZPQFHOKCAGORF-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000520833021 416981570 /nfs/dbraw/zinc/98/15/70/416981570.db2.gz DICVZGQGSUCNDC-IAGOWNOFSA-N 1 3 313.486 0.733 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000565481002 416983551 /nfs/dbraw/zinc/98/35/51/416983551.db2.gz KUGHCPXJWHKJKD-RFGFWPKPSA-N 1 3 312.458 0.465 20 0 DCADHO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000447399314 416997325 /nfs/dbraw/zinc/99/73/25/416997325.db2.gz WWBUXUICJWFNNG-OWCLPIDISA-N 1 3 300.443 0.817 20 0 DCADHO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000447399314 416997331 /nfs/dbraw/zinc/99/73/31/416997331.db2.gz WWBUXUICJWFNNG-OWCLPIDISA-N 1 3 300.443 0.817 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785663 417096241 /nfs/dbraw/zinc/09/62/41/417096241.db2.gz CDVWDAXGKXQQFO-ZNMIVQPWSA-N 1 3 322.453 0.221 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000642247044 417037875 /nfs/dbraw/zinc/03/78/75/417037875.db2.gz HDCSOKHGYUJUPK-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376764941 417039136 /nfs/dbraw/zinc/03/91/36/417039136.db2.gz GPCXNKVJFMPZFL-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642439284 417051816 /nfs/dbraw/zinc/05/18/16/417051816.db2.gz AFCKZTNNQILVSA-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642431138 417052189 /nfs/dbraw/zinc/05/21/89/417052189.db2.gz DOFUQNBSMXWESI-CQSZACIVSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000642439567 417052916 /nfs/dbraw/zinc/05/29/16/417052916.db2.gz MGEALXKSSQEYOB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000642439854 417054553 /nfs/dbraw/zinc/05/45/53/417054553.db2.gz PJVFVIBDZZJOHO-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000642440151 417056544 /nfs/dbraw/zinc/05/65/44/417056544.db2.gz XGOGZSYPWJGSIC-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO CNCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430865751 417074200 /nfs/dbraw/zinc/07/42/00/417074200.db2.gz DYSXDQVUCCPVHK-UHFFFAOYSA-N 1 3 318.421 0.584 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000642713012 417077688 /nfs/dbraw/zinc/07/76/88/417077688.db2.gz IJFKONMWKBQBFI-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000642724569 417080608 /nfs/dbraw/zinc/08/06/08/417080608.db2.gz YOANLDNNHUVOJH-JSGCOSHPSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642733339 417084107 /nfs/dbraw/zinc/08/41/07/417084107.db2.gz FIROVZKMBFHLLL-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC[C@H]1[NH3+] ZINC000642732188 417084657 /nfs/dbraw/zinc/08/46/57/417084657.db2.gz VTBIIGUVSPJCNP-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000642731716 417084780 /nfs/dbraw/zinc/08/47/80/417084780.db2.gz SLIJWBAGOBDUQJ-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000642731691 417085064 /nfs/dbraw/zinc/08/50/64/417085064.db2.gz KKFULKNQSKCZJV-SOUVJXGZSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000642733837 417088208 /nfs/dbraw/zinc/08/82/08/417088208.db2.gz PALSEBTYJSWPNA-ZFWWWQNUSA-N 1 3 318.421 0.403 20 0 DCADHO C[C@@H]1CN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000430968203 417091794 /nfs/dbraw/zinc/09/17/94/417091794.db2.gz VWPQCDRQEKIOFP-RISCZKNCSA-N 1 3 304.394 0.783 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642809779 417107086 /nfs/dbraw/zinc/10/70/86/417107086.db2.gz SRZVNWXMFZHMCR-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO COC[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000568254734 417112088 /nfs/dbraw/zinc/11/20/88/417112088.db2.gz KTLQTMXRAVVJDO-MRXNPFEDSA-N 1 3 308.426 0.191 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642904021 417115457 /nfs/dbraw/zinc/11/54/57/417115457.db2.gz QBNSCPYTUKENTA-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000449113375 417121942 /nfs/dbraw/zinc/12/19/42/417121942.db2.gz ASNJIQPCFBNBJF-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000642953520 417132935 /nfs/dbraw/zinc/13/29/35/417132935.db2.gz SBRMQGDTBUAYJY-UKRRQHHQSA-N 1 3 318.421 0.183 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642980398 417136498 /nfs/dbraw/zinc/13/64/98/417136498.db2.gz CFNTWEOBTVTLFY-ZNMIVQPWSA-N 1 3 324.469 0.624 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000449642655 417157622 /nfs/dbraw/zinc/15/76/22/417157622.db2.gz GWEUKLTXQUXLRS-MJBXVCDLSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000568749275 417169034 /nfs/dbraw/zinc/16/90/34/417169034.db2.gz HWXKLPXUACXKGN-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](NC(=O)[C@@H](N)CN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000637822031 417198509 /nfs/dbraw/zinc/19/85/09/417198509.db2.gz XPHBGUNNRMMTKO-UAGQMJEPSA-N 1 3 318.465 0.950 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000637863236 417209909 /nfs/dbraw/zinc/20/99/09/417209909.db2.gz WHFJPAJMVLMWET-OAHLLOKOSA-N 1 3 306.454 0.889 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC1=O ZINC000449685212 417165226 /nfs/dbraw/zinc/16/52/26/417165226.db2.gz UEHCJHSYTYYBHO-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1C[C@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414182914 417267311 /nfs/dbraw/zinc/26/73/11/417267311.db2.gz DOKAUTVKIMKTRO-DLBZAZTESA-N 1 3 324.513 0.713 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000627235238 417293740 /nfs/dbraw/zinc/29/37/40/417293740.db2.gz QOZVQDGHRODDJU-ZIAGYGMSSA-N 1 3 321.429 0.048 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000569244884 417232936 /nfs/dbraw/zinc/23/29/36/417232936.db2.gz BXUOHWOGDPRBAR-YNEHKIRRSA-N 1 3 310.442 0.362 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000643592252 417250951 /nfs/dbraw/zinc/25/09/51/417250951.db2.gz PYNRNNBXQOBKNV-UHFFFAOYSA-N 1 3 320.437 0.384 20 0 DCADHO Cc1ccc(C[N@H+](CCO)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713950 417296149 /nfs/dbraw/zinc/29/61/49/417296149.db2.gz PPALAEYJCQKPDC-KRWDZBQOSA-N 1 3 319.449 0.987 20 0 DCADHO Cc1ccc(C[N@@H+](CCO)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713950 417296154 /nfs/dbraw/zinc/29/61/54/417296154.db2.gz PPALAEYJCQKPDC-KRWDZBQOSA-N 1 3 319.449 0.987 20 0 DCADHO CC1CCN(CCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433388091 417262674 /nfs/dbraw/zinc/26/26/74/417262674.db2.gz TYNXVQDDPWNHDB-AWEZNQCLSA-N 1 3 320.441 0.664 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633086456 417351382 /nfs/dbraw/zinc/35/13/82/417351382.db2.gz UJKLPJGCZDNILG-OKILXGFUSA-N 1 3 322.453 0.282 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000415271573 417353180 /nfs/dbraw/zinc/35/31/80/417353180.db2.gz ZIVWPQHJVJQHQL-DZGCQCFKSA-N 1 3 316.405 0.507 20 0 DCADHO CN1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638167985 417361882 /nfs/dbraw/zinc/36/18/82/417361882.db2.gz AOJAGSBVOXOXBE-INIZCTEOSA-N 1 3 304.438 0.610 20 0 DCADHO CN1CCCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638167985 417361888 /nfs/dbraw/zinc/36/18/88/417361888.db2.gz AOJAGSBVOXOXBE-INIZCTEOSA-N 1 3 304.438 0.610 20 0 DCADHO Cc1c(C(=O)N2C[C@H](C)NC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000570513017 417362094 /nfs/dbraw/zinc/36/20/94/417362094.db2.gz WEAWLXJIWDCRDI-QWRGUYRKSA-N 1 3 306.414 0.333 20 0 DCADHO CCN(CCNC(=O)C(=O)Nc1ccccc1C[NH2+]C)C1CC1 ZINC000414873873 417309758 /nfs/dbraw/zinc/30/97/58/417309758.db2.gz HFJOJQSPNVHKCP-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)cc1 ZINC000414876166 417309906 /nfs/dbraw/zinc/30/99/06/417309906.db2.gz KFNBOJHXXHWGMX-HNNXBMFYSA-N 1 3 318.421 0.801 20 0 DCADHO CCNC(=O)COc1ccc(CNC[C@@H](C)C[NH3+])cc1OC ZINC000414877845 417310533 /nfs/dbraw/zinc/31/05/33/417310533.db2.gz NJGNIJHIBPOOHG-LBPRGKRZSA-N 1 3 309.410 0.895 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CN2CCNCC2)C1 ZINC000638083851 417316813 /nfs/dbraw/zinc/31/68/13/417316813.db2.gz OCFIGHZQNKIJOA-HUUCEWRRSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@H](CC(=O)N(C)C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414985008 417319980 /nfs/dbraw/zinc/31/99/80/417319980.db2.gz MPGWUFLLGPDQIT-MNOVXSKESA-N 1 3 310.364 0.279 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000415128273 417330688 /nfs/dbraw/zinc/33/06/88/417330688.db2.gz STLYAXHAXZCICB-UHFFFAOYSA-N 1 3 318.421 0.899 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000633040658 417333042 /nfs/dbraw/zinc/33/30/42/417333042.db2.gz YVZHBIAWXNSPAT-YPMHNXCESA-N 1 3 304.394 0.635 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297990 417339506 /nfs/dbraw/zinc/33/95/06/417339506.db2.gz YIRUCIGKPLUULJ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297990 417339511 /nfs/dbraw/zinc/33/95/11/417339511.db2.gz YIRUCIGKPLUULJ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)n1 ZINC000415208528 417344056 /nfs/dbraw/zinc/34/40/56/417344056.db2.gz FGGBTWVICGRINN-AWEZNQCLSA-N 1 3 322.457 1.474 20 0 DCADHO [NH3+]C[C@]1(C(=O)N2CCN(c3ccncc3)CC2)CCCOC1 ZINC000638136281 417347714 /nfs/dbraw/zinc/34/77/14/417347714.db2.gz GTXGCQZIZMLQAQ-MRXNPFEDSA-N 1 3 304.394 0.486 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000633187228 417385785 /nfs/dbraw/zinc/38/57/85/417385785.db2.gz AVZSVOYKDMLIBC-INIZCTEOSA-N 1 3 305.426 0.613 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000633187228 417385793 /nfs/dbraw/zinc/38/57/93/417385793.db2.gz AVZSVOYKDMLIBC-INIZCTEOSA-N 1 3 305.426 0.613 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638248030 417393531 /nfs/dbraw/zinc/39/35/31/417393531.db2.gz RPDPINDJAZOOBP-YESZJQIVSA-N 1 3 316.449 0.656 20 0 DCADHO O=C(CN1CCNCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638308080 417416776 /nfs/dbraw/zinc/41/67/76/417416776.db2.gz GGWIQZWFUSJLCK-GDBMZVCRSA-N 1 3 306.454 0.367 20 0 DCADHO O=C(CN1CCNCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638308080 417416780 /nfs/dbraw/zinc/41/67/80/417416780.db2.gz GGWIQZWFUSJLCK-GDBMZVCRSA-N 1 3 306.454 0.367 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638336427 417425578 /nfs/dbraw/zinc/42/55/78/417425578.db2.gz UMDLAVKPDWPGPQ-CABCVRRESA-N 1 3 306.454 0.935 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638336430 417425805 /nfs/dbraw/zinc/42/58/05/417425805.db2.gz UMDLAVKPDWPGPQ-HUUCEWRRSA-N 1 3 306.454 0.935 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000638341924 417427236 /nfs/dbraw/zinc/42/72/36/417427236.db2.gz DDELAGROYWZSBN-JKSUJKDBSA-N 1 3 320.437 0.022 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000627357494 417372910 /nfs/dbraw/zinc/37/29/10/417372910.db2.gz HTWOVKWVTXFCDN-ZIAGYGMSSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638203392 417373098 /nfs/dbraw/zinc/37/30/98/417373098.db2.gz MHSMXDIBGWYABV-KBMXLJTQSA-N 1 3 304.438 0.560 20 0 DCADHO COCC1(CNC(=O)[C@]2(COC)CCCCN2)CC[NH2+]CC1 ZINC000638224243 417381303 /nfs/dbraw/zinc/38/13/03/417381303.db2.gz GQVZWUOUYCWOLO-MRXNPFEDSA-N 1 3 313.442 0.278 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CC[C@H]1C(F)(F)F ZINC000638548321 417487102 /nfs/dbraw/zinc/48/71/02/417487102.db2.gz MWGARKSKALWPOC-GRYCIOLGSA-N 1 3 323.359 0.741 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529352170 417447852 /nfs/dbraw/zinc/44/78/52/417447852.db2.gz PWOGFHLWTOWNQH-UONOGXRCSA-N 1 3 310.442 0.417 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000633555122 417449696 /nfs/dbraw/zinc/44/96/96/417449696.db2.gz BBDHRYNONHLTPZ-XDQVBPFNSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000633555122 417449701 /nfs/dbraw/zinc/44/97/01/417449701.db2.gz BBDHRYNONHLTPZ-XDQVBPFNSA-N 1 3 312.458 0.145 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000638442481 417457227 /nfs/dbraw/zinc/45/72/27/417457227.db2.gz VPKTZSMAUWHJEO-BQFCYCMXSA-N 1 3 316.449 0.786 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638512098 417479499 /nfs/dbraw/zinc/47/94/99/417479499.db2.gz ILMKJBFMJJLJTK-HZPDHXFCSA-N 1 3 316.449 0.847 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000638536282 417484277 /nfs/dbraw/zinc/48/42/77/417484277.db2.gz JBHCLSUIYAGWDO-CHWSQXEVSA-N 1 3 306.414 0.417 20 0 DCADHO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000635009276 417555735 /nfs/dbraw/zinc/55/57/35/417555735.db2.gz XLIGUDJLBJFBRF-SNVBAGLBSA-N 1 3 300.428 0.439 20 0 DCADHO NC(=O)C1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634636327 417522032 /nfs/dbraw/zinc/52/20/32/417522032.db2.gz AIVRIGZEMHZKDJ-SFHVURJKSA-N 1 3 317.433 0.821 20 0 DCADHO NC(=O)C1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634636327 417522036 /nfs/dbraw/zinc/52/20/36/417522036.db2.gz AIVRIGZEMHZKDJ-SFHVURJKSA-N 1 3 317.433 0.821 20 0 DCADHO O=C(CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000576230916 417592267 /nfs/dbraw/zinc/59/22/67/417592267.db2.gz SMRNGHIMFMJXIZ-INIZCTEOSA-N 1 3 308.470 0.616 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000639020439 417606694 /nfs/dbraw/zinc/60/66/94/417606694.db2.gz FRDXBKMCAGDFAF-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000576027176 417573543 /nfs/dbraw/zinc/57/35/43/417573543.db2.gz PLSZDNGLQDDJBV-CYBMUJFWSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@H](CN[C@H]1CCN(C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000644562162 417618404 /nfs/dbraw/zinc/61/84/04/417618404.db2.gz ZUWXJBHJLZLVJX-OLZOCXBDSA-N 1 3 303.472 0.178 20 0 DCADHO CSCC[C@@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000576702459 417630416 /nfs/dbraw/zinc/63/04/16/417630416.db2.gz WQYHDXXBDFAEAG-GFCCVEGCSA-N 1 3 309.439 0.510 20 0 DCADHO CC(C)(O)CN1CCC([NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000639220275 417641908 /nfs/dbraw/zinc/64/19/08/417641908.db2.gz WSZPEEVTAZPTEJ-INIZCTEOSA-N 1 3 313.486 0.658 20 0 DCADHO CN(C)CCNC(=O)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635558474 417701020 /nfs/dbraw/zinc/70/10/20/417701020.db2.gz LLVVESUKRTUBJW-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CO[C@H](C[NH+]1CCC(N2CC[C@H](O)C2)CC1)C1CCOCC1 ZINC000639331514 417660465 /nfs/dbraw/zinc/66/04/65/417660465.db2.gz UHHLPUOBCPDXNE-DLBZAZTESA-N 1 3 312.454 0.959 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccncc1 ZINC000532150436 417664172 /nfs/dbraw/zinc/66/41/72/417664172.db2.gz DFZQSVKXYQCMQX-UHFFFAOYSA-N 1 3 307.442 0.759 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635472487 417672020 /nfs/dbraw/zinc/67/20/20/417672020.db2.gz DHMKKTQEGUXXFX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNC2CC2)CC1 ZINC000580560594 417712010 /nfs/dbraw/zinc/71/20/10/417712010.db2.gz NVOYUTHZEWVLSD-GASCZTMLSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CNC2CC2)CC1 ZINC000580560594 417712014 /nfs/dbraw/zinc/71/20/14/417712014.db2.gz NVOYUTHZEWVLSD-GASCZTMLSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000580565428 417712277 /nfs/dbraw/zinc/71/22/77/417712277.db2.gz LNPFZJWIICOCGZ-WFASDCNBSA-N 1 3 312.458 0.275 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)C1C[NH+](C2CCCCC2)C1 ZINC000640320191 417818981 /nfs/dbraw/zinc/81/89/81/417818981.db2.gz MRQBMIAFWPIKMP-OAHLLOKOSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000662618982 417822283 /nfs/dbraw/zinc/82/22/83/417822283.db2.gz HAOZTOBJWMIEDQ-STQMWFEESA-N 1 3 320.441 0.633 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662684882 417850449 /nfs/dbraw/zinc/85/04/49/417850449.db2.gz KZJJVNOTWWORIF-CYBMUJFWSA-N 1 3 320.441 0.616 20 0 DCADHO COCC[NH2+]C1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000652154837 417853998 /nfs/dbraw/zinc/85/39/98/417853998.db2.gz PTLKVWRHYGYWTK-INIZCTEOSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000662692723 417854526 /nfs/dbraw/zinc/85/45/26/417854526.db2.gz GBABONDJZKZVNX-ZDUSSCGKSA-N 1 3 308.430 0.477 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NCCC2(C[NH3+])CC2)CCCO1 ZINC000652182930 417856660 /nfs/dbraw/zinc/85/66/60/417856660.db2.gz HRKUNAXBKODJKN-CQSZACIVSA-N 1 3 312.458 0.916 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652192334 417861838 /nfs/dbraw/zinc/86/18/38/417861838.db2.gz YLYILHADIUPVLX-BYNSBNAKSA-N 1 3 312.458 0.864 20 0 DCADHO O=C(C[C@@H]1CSCC[NH2+]1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000662707497 417863485 /nfs/dbraw/zinc/86/34/85/417863485.db2.gz GBAYNINERRYEQX-ZIAGYGMSSA-N 1 3 313.467 0.451 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662707085 417863739 /nfs/dbraw/zinc/86/37/39/417863739.db2.gz BWSXFVWPJDOVPN-HLLBOEOZSA-N 1 3 307.438 0.746 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662707953 417864234 /nfs/dbraw/zinc/86/42/34/417864234.db2.gz IRNDIVLGCSKHOA-YESZJQIVSA-N 1 3 321.465 0.992 20 0 DCADHO O=C(C[C@H]1CSCC[NH2+]1)NC1CCN([C@H]2CCOC2)CC1 ZINC000662707494 417864752 /nfs/dbraw/zinc/86/47/52/417864752.db2.gz GBAYNINERRYEQX-KBPBESRZSA-N 1 3 313.467 0.451 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662713210 417865734 /nfs/dbraw/zinc/86/57/34/417865734.db2.gz VTHLUKOEVFHRIF-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662710832 417866716 /nfs/dbraw/zinc/86/67/16/417866716.db2.gz ZGNMGVMELUKVFT-SJORKVTESA-N 1 3 317.433 0.926 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313669 417882045 /nfs/dbraw/zinc/88/20/45/417882045.db2.gz FFZULCFZAQNBMZ-UHFFFAOYSA-N 1 3 313.490 0.511 20 0 DCADHO COC1CCN(CCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662746317 417882575 /nfs/dbraw/zinc/88/25/75/417882575.db2.gz JQUFNWNMXPVGOL-ZDUSSCGKSA-N 1 3 323.359 0.755 20 0 DCADHO C[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@@H](C)CN1 ZINC000662764806 417894397 /nfs/dbraw/zinc/89/43/97/417894397.db2.gz OYSMMYOQDIOYAR-AGIUHOORSA-N 1 3 306.414 0.415 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CCN(C)C ZINC000652399028 417900556 /nfs/dbraw/zinc/90/05/56/417900556.db2.gz NRIRXROXACBIFX-UHFFFAOYSA-N 1 3 300.447 0.101 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CCN(C)C ZINC000652399028 417900561 /nfs/dbraw/zinc/90/05/61/417900561.db2.gz NRIRXROXACBIFX-UHFFFAOYSA-N 1 3 300.447 0.101 20 0 DCADHO CC[C@H](CNC(=O)COCC[NH3+])N1CCc2ccccc2C1 ZINC000646407988 417844589 /nfs/dbraw/zinc/84/45/89/417844589.db2.gz FKBZMHBOVFHSKU-MRXNPFEDSA-N 1 3 305.422 0.915 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cn1 ZINC000652612235 417931482 /nfs/dbraw/zinc/93/14/82/417931482.db2.gz MJXWVEUSXCTFEU-JTQLQIEISA-N 1 3 304.345 0.549 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652680419 417942892 /nfs/dbraw/zinc/94/28/92/417942892.db2.gz DFDBBDZFVXUDOW-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)C1=CCN(C)CC1 ZINC000652687614 417943691 /nfs/dbraw/zinc/94/36/91/417943691.db2.gz HSKGPRRBYAJZME-CYBMUJFWSA-N 1 3 322.453 0.259 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000652697140 417948153 /nfs/dbraw/zinc/94/81/53/417948153.db2.gz XOEAJVGAZTWESK-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000662915104 417950026 /nfs/dbraw/zinc/95/00/26/417950026.db2.gz JKHGGLFAOKUMLS-OLZOCXBDSA-N 1 3 317.380 0.601 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000652706256 417951540 /nfs/dbraw/zinc/95/15/40/417951540.db2.gz YZBDMVDPJRARQG-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000652706256 417951544 /nfs/dbraw/zinc/95/15/44/417951544.db2.gz YZBDMVDPJRARQG-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000652710704 417952237 /nfs/dbraw/zinc/95/22/37/417952237.db2.gz YZVBCAITJBGVMX-CQSZACIVSA-N 1 3 322.453 0.318 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725750 417957598 /nfs/dbraw/zinc/95/75/98/417957598.db2.gz SALDEGXNGFVECH-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652733021 417959329 /nfs/dbraw/zinc/95/93/29/417959329.db2.gz ZAYJFPZCEJMNRC-LSDHHAIUSA-N 1 3 324.469 0.659 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000647517362 418017717 /nfs/dbraw/zinc/01/77/17/418017717.db2.gz HKBMYYCNKNFWAG-MSOLQXFVSA-N 1 3 321.465 0.526 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H](N)CC[NH+](C)C)C[C@H](C)O1 ZINC000653110992 418028149 /nfs/dbraw/zinc/02/81/49/418028149.db2.gz AHIZSPILGUJVOX-QLFBSQMISA-N 1 3 314.474 0.271 20 0 DCADHO C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000653119630 418031378 /nfs/dbraw/zinc/03/13/78/418031378.db2.gz QJTBDICJHXOSKV-GDBMZVCRSA-N 1 3 306.454 0.902 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000647597339 418031492 /nfs/dbraw/zinc/03/14/92/418031492.db2.gz FFWSTBBJWMDDBU-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO N[C@H]1CCCCN(CC(=O)NCc2ccc(C[NH3+])cc2F)C1=O ZINC000653222512 418045312 /nfs/dbraw/zinc/04/53/12/418045312.db2.gz DLEMMCHULNSIAF-AWEZNQCLSA-N 1 3 322.384 0.240 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(C2CC2)nn1C ZINC000664314083 418111613 /nfs/dbraw/zinc/11/16/13/418111613.db2.gz FACPOCNKVDVESR-LBPRGKRZSA-N 1 3 322.457 0.694 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(C2CC2)nn1C ZINC000664314083 418111616 /nfs/dbraw/zinc/11/16/16/418111616.db2.gz FACPOCNKVDVESR-LBPRGKRZSA-N 1 3 322.457 0.694 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659526311 418111932 /nfs/dbraw/zinc/11/19/32/418111932.db2.gz NPWQRPGTSRMJJR-BBRMVZONSA-N 1 3 320.437 0.647 20 0 DCADHO O=C1CNCCN1[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647910003 418073473 /nfs/dbraw/zinc/07/34/73/418073473.db2.gz RFFGRFDENUBWCR-MRXNPFEDSA-N 1 3 308.470 0.662 20 0 DCADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000659358393 418084949 /nfs/dbraw/zinc/08/49/49/418084949.db2.gz JCOIJKHISUDCTH-ZDUSSCGKSA-N 1 3 320.437 0.798 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000647995140 418084931 /nfs/dbraw/zinc/08/49/31/418084931.db2.gz ZSWZYAXQZWXZOU-GJZGRUSLSA-N 1 3 312.458 0.567 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659459449 418100233 /nfs/dbraw/zinc/10/02/33/418100233.db2.gz DRUKJKFRBYHDLA-HPUBIQBYSA-N 1 3 323.485 0.311 20 0 DCADHO C[C@H](CCNC(=O)NC[C@H](C)CN1CCN(C)CC1)[NH+](C)C ZINC000664222025 418100577 /nfs/dbraw/zinc/10/05/77/418100577.db2.gz SSALEMRTQZARSL-LSDHHAIUSA-N 1 3 313.490 0.509 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000659619278 418128925 /nfs/dbraw/zinc/12/89/25/418128925.db2.gz NATOGMILVWENPC-UONOGXRCSA-N 1 3 300.447 0.506 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000654350100 418135257 /nfs/dbraw/zinc/13/52/57/418135257.db2.gz YQVWGIBDVRIMNM-UONOGXRCSA-N 1 3 310.442 0.321 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659674939 418141905 /nfs/dbraw/zinc/14/19/05/418141905.db2.gz KCVSZBOFZFKZHJ-QWHCGFSZSA-N 1 3 300.447 0.323 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000659678255 418142863 /nfs/dbraw/zinc/14/28/63/418142863.db2.gz KCQKZAJCZCLTAF-ZIAGYGMSSA-N 1 3 320.437 0.347 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000659680443 418144004 /nfs/dbraw/zinc/14/40/04/418144004.db2.gz GAXPVUMFYPUZKS-XDQVBPFNSA-N 1 3 312.458 0.193 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000659681453 418145591 /nfs/dbraw/zinc/14/55/91/418145591.db2.gz VTUXMFBWIZANHP-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659688863 418147802 /nfs/dbraw/zinc/14/78/02/418147802.db2.gz MSUIXMIIMYXECF-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654736572 418182011 /nfs/dbraw/zinc/18/20/11/418182011.db2.gz BSKJJOJFHJOHRM-FZKCQIBNSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654736572 418182014 /nfs/dbraw/zinc/18/20/14/418182014.db2.gz BSKJJOJFHJOHRM-FZKCQIBNSA-N 1 3 322.453 0.464 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000659707754 418154575 /nfs/dbraw/zinc/15/45/75/418154575.db2.gz ICTSIRKGIIDKSP-GFCCVEGCSA-N 1 3 312.458 0.419 20 0 DCADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654566977 418161765 /nfs/dbraw/zinc/16/17/65/418161765.db2.gz WCMCHHWNFHWEEN-QLFBSQMISA-N 1 3 312.458 0.567 20 0 DCADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654566977 418161769 /nfs/dbraw/zinc/16/17/69/418161769.db2.gz WCMCHHWNFHWEEN-QLFBSQMISA-N 1 3 312.458 0.567 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000659723014 418164081 /nfs/dbraw/zinc/16/40/81/418164081.db2.gz JUQVHEMWPPYMRG-BBRMVZONSA-N 1 3 310.442 0.093 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000659725962 418164692 /nfs/dbraw/zinc/16/46/92/418164692.db2.gz FOTKWICEHNXEDG-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000659725271 418165142 /nfs/dbraw/zinc/16/51/42/418165142.db2.gz VXGHTFPVTKJZHZ-AWEZNQCLSA-N 1 3 308.426 0.013 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(CCC)C1)C1CC[NH2+]CC1 ZINC000659739052 418170677 /nfs/dbraw/zinc/17/06/77/418170677.db2.gz MCBPLKSOAOZQAC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@@H]1O ZINC000665055173 418172811 /nfs/dbraw/zinc/17/28/11/418172811.db2.gz HWAGBLLWFJEISX-GJZGRUSLSA-N 1 3 310.442 0.320 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1=O ZINC000649370114 418248220 /nfs/dbraw/zinc/24/82/20/418248220.db2.gz DYYBYPCGYALGMS-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)[C@H](CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655295198 418249792 /nfs/dbraw/zinc/24/97/92/418249792.db2.gz AVRWWOQBJORJSQ-GVDBMIGSSA-N 1 3 317.433 0.957 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CO[C@@H](C)C1 ZINC000665213402 418186135 /nfs/dbraw/zinc/18/61/35/418186135.db2.gz TUXZWCFFXXJIMF-MELADBBJSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CO[C@@H](C)C1 ZINC000665213402 418186137 /nfs/dbraw/zinc/18/61/37/418186137.db2.gz TUXZWCFFXXJIMF-MELADBBJSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654775319 418187269 /nfs/dbraw/zinc/18/72/69/418187269.db2.gz JBERZGUOPNJDJC-KBPBESRZSA-N 1 3 319.453 0.873 20 0 DCADHO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654775319 418187273 /nfs/dbraw/zinc/18/72/73/418187273.db2.gz JBERZGUOPNJDJC-KBPBESRZSA-N 1 3 319.453 0.873 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)C1 ZINC000654782845 418188230 /nfs/dbraw/zinc/18/82/30/418188230.db2.gz WHUVGLARYKHSDV-HNNXBMFYSA-N 1 3 310.486 0.718 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(CCN(C)C)n2)C1 ZINC000654846385 418194572 /nfs/dbraw/zinc/19/45/72/418194572.db2.gz DVPOAEQTHRPVSB-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(CCN(C)C)n2)C1 ZINC000654846385 418194576 /nfs/dbraw/zinc/19/45/76/418194576.db2.gz DVPOAEQTHRPVSB-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccccc2OCCN(C)C)CCO1 ZINC000649274860 418217564 /nfs/dbraw/zinc/21/75/64/418217564.db2.gz XGXICRQTGGRLTF-XJKSGUPXSA-N 1 3 321.421 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](C)C1 ZINC000665637778 418228916 /nfs/dbraw/zinc/22/89/16/418228916.db2.gz ONNKANQIMTZAFU-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](C)C1 ZINC000665637778 418228919 /nfs/dbraw/zinc/22/89/19/418228919.db2.gz ONNKANQIMTZAFU-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000649417448 418254244 /nfs/dbraw/zinc/25/42/44/418254244.db2.gz QETKMZWPVBMWRA-WFASDCNBSA-N 1 3 312.433 0.361 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(CCc3cn[nH]n3)CC2)CC1 ZINC000660834536 418293549 /nfs/dbraw/zinc/29/35/49/418293549.db2.gz OAPMMEOHIVPPTB-UHFFFAOYSA-N 1 3 306.458 0.839 20 0 DCADHO CCN1CCC([N@H+]2CCCN(CCc3cn[nH]n3)CC2)CC1 ZINC000660834536 418293551 /nfs/dbraw/zinc/29/35/51/418293551.db2.gz OAPMMEOHIVPPTB-UHFFFAOYSA-N 1 3 306.458 0.839 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000655909932 418299479 /nfs/dbraw/zinc/29/94/79/418299479.db2.gz QWUHRYBXIMUKDV-LSDHHAIUSA-N 1 3 304.394 0.736 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@H](C[NH3+])C(F)(F)F)cn1 ZINC000655913320 418300150 /nfs/dbraw/zinc/30/01/50/418300150.db2.gz GMXIKZFCFYIPDE-SECBINFHSA-N 1 3 308.308 0.456 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655954670 418306446 /nfs/dbraw/zinc/30/64/46/418306446.db2.gz GXMGTJNRCKYVTL-OTVXOJSOSA-N 1 3 318.421 0.849 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656019198 418317863 /nfs/dbraw/zinc/31/78/63/418317863.db2.gz CDXRCKIGOKYHKU-GJZGRUSLSA-N 1 3 322.453 0.235 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656024613 418319613 /nfs/dbraw/zinc/31/96/13/418319613.db2.gz OCBPYWRFGQKKPQ-UONOGXRCSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656024674 418319853 /nfs/dbraw/zinc/31/98/53/418319853.db2.gz SCCGUPBLLZOWHY-FQUUOJAGSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[NH2+]1 ZINC000656025463 418320521 /nfs/dbraw/zinc/32/05/21/418320521.db2.gz KSQVLRFTFBDQOS-APIJFGDWSA-N 1 3 322.453 0.376 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656029337 418321111 /nfs/dbraw/zinc/32/11/11/418321111.db2.gz YMTIJOXHEZXHGI-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449331 418262944 /nfs/dbraw/zinc/26/29/44/418262944.db2.gz BWHPJOVJLMRBDR-INMHGKMJSA-N 1 3 308.470 0.518 20 0 DCADHO NC[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)C(F)(F)F ZINC000655516459 418271524 /nfs/dbraw/zinc/27/15/24/418271524.db2.gz VEIXCJLMEVCIAY-GFCCVEGCSA-N 1 3 301.312 0.994 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000661662885 418353279 /nfs/dbraw/zinc/35/32/79/418353279.db2.gz CQTBCBASMNAXQN-RRFJBIMHSA-N 1 3 322.453 0.138 20 0 DCADHO CNC(=O)c1ccc(CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249677 418393088 /nfs/dbraw/zinc/39/30/88/418393088.db2.gz XGODOBSXIFXHHJ-OAHLLOKOSA-N 1 3 303.406 0.999 20 0 DCADHO O=C([C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662248962 418393393 /nfs/dbraw/zinc/39/33/93/418393393.db2.gz MLBNPEJFKRLUEV-HUUCEWRRSA-N 1 3 323.437 0.078 20 0 DCADHO O=C([C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662248962 418393395 /nfs/dbraw/zinc/39/33/95/418393395.db2.gz MLBNPEJFKRLUEV-HUUCEWRRSA-N 1 3 323.437 0.078 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cn(CC[NH3+])nn2)C1 ZINC000662402051 418407102 /nfs/dbraw/zinc/40/71/02/418407102.db2.gz GDCXECBHYQOEJA-GFCCVEGCSA-N 1 3 308.430 0.477 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662497850 418413114 /nfs/dbraw/zinc/41/31/14/418413114.db2.gz LRBMNKVUCFLYNJ-FZMZJTMJSA-N 1 3 318.425 0.415 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662322960 418400319 /nfs/dbraw/zinc/40/03/19/418400319.db2.gz JYVIBQGONKULCG-ZIAGYGMSSA-N 1 3 300.422 0.347 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662389679 418406034 /nfs/dbraw/zinc/40/60/34/418406034.db2.gz ZADZGQUJWOGHCK-CYBMUJFWSA-N 1 3 320.441 0.664 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000237018114 261157033 /nfs/dbraw/zinc/15/70/33/261157033.db2.gz AFOLIVBIXALBNH-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000315812808 261174304 /nfs/dbraw/zinc/17/43/04/261174304.db2.gz XVAJOWJQRUXROT-OEAJRASXSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000315812808 261174307 /nfs/dbraw/zinc/17/43/07/261174307.db2.gz XVAJOWJQRUXROT-OEAJRASXSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@@H]1CC[C@H](C(N)=O)CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315812808 261174309 /nfs/dbraw/zinc/17/43/09/261174309.db2.gz XVAJOWJQRUXROT-OEAJRASXSA-N 1 3 305.422 0.503 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N(C)C1CC1 ZINC000354660315 261252417 /nfs/dbraw/zinc/25/24/17/261252417.db2.gz LBKOOZIJVXENDW-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)C1=CCN(C)CC1 ZINC000354688879 261259548 /nfs/dbraw/zinc/25/95/48/261259548.db2.gz SLPOHRGJKURGCH-ZDUSSCGKSA-N 1 3 322.453 0.354 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354982399 261292889 /nfs/dbraw/zinc/29/28/89/261292889.db2.gz HCRVBQUSOMQRGS-HNNXBMFYSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355297426 261327653 /nfs/dbraw/zinc/32/76/53/261327653.db2.gz KQSNUVBKDWUYQL-AWEZNQCLSA-N 1 3 314.474 0.489 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000355328324 261332107 /nfs/dbraw/zinc/33/21/07/261332107.db2.gz YYVXCMDCUAZLAA-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000356221874 261404779 /nfs/dbraw/zinc/40/47/79/261404779.db2.gz INDOIUNOQCZSJN-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000356221874 261404780 /nfs/dbraw/zinc/40/47/80/261404780.db2.gz INDOIUNOQCZSJN-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CC1 ZINC000362971328 262090489 /nfs/dbraw/zinc/09/04/89/262090489.db2.gz SJPMSYQSBIMHMM-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CC1 ZINC000362971328 262090492 /nfs/dbraw/zinc/09/04/92/262090492.db2.gz SJPMSYQSBIMHMM-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N(C)C ZINC000363220497 262106897 /nfs/dbraw/zinc/10/68/97/262106897.db2.gz DGSUIDSAJYOSLK-HOTGVXAUSA-N 1 3 310.486 0.811 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N(C)C ZINC000363220497 262106898 /nfs/dbraw/zinc/10/68/98/262106898.db2.gz DGSUIDSAJYOSLK-HOTGVXAUSA-N 1 3 310.486 0.811 20 0 DCADHO CN1CCN(CCCNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000363491130 262116938 /nfs/dbraw/zinc/11/69/38/262116938.db2.gz SMLPSAFSXPKNRD-UHFFFAOYSA-N 1 3 316.449 0.236 20 0 DCADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]1 ZINC000390901876 262160173 /nfs/dbraw/zinc/16/01/73/262160173.db2.gz UXEQPRDOZDCQCX-HZPDHXFCSA-N 1 3 303.406 0.756 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000416977017 262242523 /nfs/dbraw/zinc/24/25/23/262242523.db2.gz PAOPYMGHBGIBJE-UHFFFAOYSA-N 1 3 313.490 0.829 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CC[NH3+])CCO)C1 ZINC000417219366 262247984 /nfs/dbraw/zinc/24/79/84/262247984.db2.gz IYZVWGNIISMPKE-GDBMZVCRSA-N 1 3 320.437 0.785 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000417759383 262261016 /nfs/dbraw/zinc/26/10/16/262261016.db2.gz WIUJGUMWZXDEQL-AWEZNQCLSA-N 1 3 313.490 0.687 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417944538 262265611 /nfs/dbraw/zinc/26/56/11/262265611.db2.gz DXNHCXVLWNNMCO-ZDUSSCGKSA-N 1 3 309.414 0.559 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NC[C@@H]([NH3+])C2CC2)ccn1 ZINC000417957279 262266351 /nfs/dbraw/zinc/26/63/51/262266351.db2.gz UJUQJFZTXSNJTH-CQSZACIVSA-N 1 3 321.425 0.559 20 0 DCADHO CC(C)([NH3+])CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417985596 262267145 /nfs/dbraw/zinc/26/71/45/262267145.db2.gz FRKWZXPCHBDIGU-HNNXBMFYSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418114061 262270054 /nfs/dbraw/zinc/27/00/54/262270054.db2.gz KYULUZJGYGAXOX-RBSFLKMASA-N 1 3 312.458 0.866 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000418287313 262273851 /nfs/dbraw/zinc/27/38/51/262273851.db2.gz JZPBZICXRSNYOY-INIZCTEOSA-N 1 3 323.485 0.552 20 0 DCADHO CC[NH2+]CCNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418322412 262274787 /nfs/dbraw/zinc/27/47/87/262274787.db2.gz DVEKHXYFMKRYPI-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000418375117 262275805 /nfs/dbraw/zinc/27/58/05/262275805.db2.gz WYVGBHPRDNSFOY-KBPBESRZSA-N 1 3 300.447 0.594 20 0 DCADHO CC(C)([NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418409485 262276532 /nfs/dbraw/zinc/27/65/32/262276532.db2.gz AJKNLCUKULCTRB-KRWDZBQOSA-N 1 3 320.437 0.660 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)N[C@H]1CCCN(CCCO)C1 ZINC000418604869 262283888 /nfs/dbraw/zinc/28/38/88/262283888.db2.gz SHWNUXVNJKMIJG-HNNXBMFYSA-N 1 3 310.442 0.442 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418639075 262284279 /nfs/dbraw/zinc/28/42/79/262284279.db2.gz PFODXYANOPNHIQ-HOCLYGCPSA-N 1 3 317.437 0.076 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418645517 262285202 /nfs/dbraw/zinc/28/52/02/262285202.db2.gz RLKXOIKIJAIADQ-ZDUSSCGKSA-N 1 3 300.447 0.378 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(CCCO)C1 ZINC000418744505 262287163 /nfs/dbraw/zinc/28/71/63/262287163.db2.gz FBRTUBTUTKCVJY-GJZGRUSLSA-N 1 3 312.458 0.665 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000418932923 262299569 /nfs/dbraw/zinc/29/95/69/262299569.db2.gz ICGBBVKRNSBFSP-HZSPNIEDSA-N 1 3 312.458 0.419 20 0 DCADHO NC[C@H]1CCCN1C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418931905 262299611 /nfs/dbraw/zinc/29/96/11/262299611.db2.gz FILRZSKNOMZOKK-OAHLLOKOSA-N 1 3 324.469 0.709 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000418999082 262302595 /nfs/dbraw/zinc/30/25/95/262302595.db2.gz QJWAMRNCGRYCDQ-OAHLLOKOSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419016902 262305656 /nfs/dbraw/zinc/30/56/56/262305656.db2.gz AHGCZVOCVKZMJU-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419073783 262306705 /nfs/dbraw/zinc/30/67/05/262306705.db2.gz CQEDXTVXWITUCC-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419078839 262306998 /nfs/dbraw/zinc/30/69/98/262306998.db2.gz LSVSINXOJMMBKJ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419080672 262307291 /nfs/dbraw/zinc/30/72/91/262307291.db2.gz PXTIGNSXPQXXFB-QLFBSQMISA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419080063 262307322 /nfs/dbraw/zinc/30/73/22/262307322.db2.gz OIVCLGXZLGRDJD-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419096867 262308841 /nfs/dbraw/zinc/30/88/41/262308841.db2.gz DENURNAFEWGUHO-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419097186 262309328 /nfs/dbraw/zinc/30/93/28/262309328.db2.gz DKZVORKDDXEDTB-KFWWJZLASA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419097663 262309518 /nfs/dbraw/zinc/30/95/18/262309518.db2.gz FNANFSAGQSETHB-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419117966 262309877 /nfs/dbraw/zinc/30/98/77/262309877.db2.gz ICPIEFYWNOLGTI-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419121493 262310670 /nfs/dbraw/zinc/31/06/70/262310670.db2.gz MLUVOZXZCAGJGD-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419129518 262311525 /nfs/dbraw/zinc/31/15/25/262311525.db2.gz DFQKMRAABRMVTF-NEPJUHHUSA-N 1 3 300.447 0.275 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419135107 262313231 /nfs/dbraw/zinc/31/32/31/262313231.db2.gz KKQVQJGCYYNJQZ-MGPQQGTHSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419159968 262314631 /nfs/dbraw/zinc/31/46/31/262314631.db2.gz OQZASEJSEAQISK-AWEZNQCLSA-N 1 3 322.453 0.259 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419171301 262316633 /nfs/dbraw/zinc/31/66/33/262316633.db2.gz OWBSAFLRUVDOSQ-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C[C@H]1[NH3+] ZINC000419229347 262321459 /nfs/dbraw/zinc/32/14/59/262321459.db2.gz OQHBXGUIJOYRLY-BPLDGKMQSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419376487 262328872 /nfs/dbraw/zinc/32/88/72/262328872.db2.gz TWLHOEJHAGNZJP-CABCVRRESA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000419404303 262330498 /nfs/dbraw/zinc/33/04/98/262330498.db2.gz FSGSWTZQWIMYQD-XJKSGUPXSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419407134 262330702 /nfs/dbraw/zinc/33/07/02/262330702.db2.gz JQDZYZGFAJOYHG-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419419054 262332471 /nfs/dbraw/zinc/33/24/71/262332471.db2.gz YTOZCSOOIKBVEZ-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419419281 262332767 /nfs/dbraw/zinc/33/27/67/262332767.db2.gz IXWGIAAYFUXOQF-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000419650311 262344248 /nfs/dbraw/zinc/34/42/48/262344248.db2.gz UTZYCGOELJOERS-HNNXBMFYSA-N 1 3 318.421 0.233 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419698259 262347029 /nfs/dbraw/zinc/34/70/29/262347029.db2.gz PJVOTXVVOMWXSC-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419701236 262347423 /nfs/dbraw/zinc/34/74/23/262347423.db2.gz YWJQJAISZRIYQX-GUYCJALGSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419843324 262348836 /nfs/dbraw/zinc/34/88/36/262348836.db2.gz MNFNHVWSZRMSPY-RDBSUJKOSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419929998 262353310 /nfs/dbraw/zinc/35/33/10/262353310.db2.gz NQLAWKQQKOLNTN-HUUCEWRRSA-N 1 3 318.421 0.355 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419991553 262356075 /nfs/dbraw/zinc/35/60/75/262356075.db2.gz GVPWRPMTFVBUKE-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000420140789 262362989 /nfs/dbraw/zinc/36/29/89/262362989.db2.gz YWZCHKISRRELFL-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CCNc1nc(N[C@@H]2CC[C@@H](C[NH3+])C2)nc(NC(C)(C)C)n1 ZINC000420278689 262368801 /nfs/dbraw/zinc/36/88/01/262368801.db2.gz RUFRXQQGNCIUER-GHMZBOCLSA-N 1 3 307.446 0.897 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424241184 262487740 /nfs/dbraw/zinc/48/77/40/262487740.db2.gz PSWWSLSAWREBKJ-JSGCOSHPSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]1C[C@H](C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]1 ZINC000358742959 271066293 /nfs/dbraw/zinc/06/62/93/271066293.db2.gz LEXNEENVPXHKGY-QWHCGFSZSA-N 1 3 303.410 0.818 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC000358771216 271070443 /nfs/dbraw/zinc/07/04/43/271070443.db2.gz BBTXVPLMAPXUHB-MRXNPFEDSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@H](C(=O)N(C)CCN(C)C)[C@H](C)C(=O)N(C)CC[NH+](C)C ZINC000359387616 271111464 /nfs/dbraw/zinc/11/14/64/271111464.db2.gz YMIWTRQOMSSFKK-KBPBESRZSA-N 1 3 314.474 0.299 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000418727082 271251473 /nfs/dbraw/zinc/25/14/73/271251473.db2.gz PXXZANIAMWEXJJ-RBSFLKMASA-N 1 3 312.458 0.650 20 0 DCADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000418844103 271257998 /nfs/dbraw/zinc/25/79/98/271257998.db2.gz LLJSARHIMKJKNH-CQSZACIVSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419024877 271265405 /nfs/dbraw/zinc/26/54/05/271265405.db2.gz LEXVCAMTROHHPD-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419031343 271267644 /nfs/dbraw/zinc/26/76/44/271267644.db2.gz VEWFVZPEONJGQU-KBUPBQIOSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419028938 271268358 /nfs/dbraw/zinc/26/83/58/271268358.db2.gz RDXJMIPHUAEIJR-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419403835 271288323 /nfs/dbraw/zinc/28/83/23/271288323.db2.gz FIXOHWCNZHLQCI-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419403873 271288447 /nfs/dbraw/zinc/28/84/47/271288447.db2.gz FNCPRKNWTJEHME-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419403819 271288941 /nfs/dbraw/zinc/28/89/41/271288941.db2.gz FGDPUAHPUDOMKZ-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CCN(CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1)C1CC1 ZINC000419529485 271298270 /nfs/dbraw/zinc/29/82/70/271298270.db2.gz YBKYSPCCYRDSMK-UHFFFAOYSA-N 1 3 308.426 0.013 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C1CC1 ZINC000419522723 271298869 /nfs/dbraw/zinc/29/88/69/271298869.db2.gz NHOSHIMXRKLUOU-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419578564 271311356 /nfs/dbraw/zinc/31/13/56/271311356.db2.gz FCVAOTSNCNKBPM-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419583214 271311662 /nfs/dbraw/zinc/31/16/62/271311662.db2.gz JVSIYWSEENXFDS-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000419652039 271314500 /nfs/dbraw/zinc/31/45/00/271314500.db2.gz WWHBUTWDYZGVTB-HNNXBMFYSA-N 1 3 318.421 0.185 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419810429 271326752 /nfs/dbraw/zinc/32/67/52/271326752.db2.gz FPHOPSFBTBKBRY-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419810429 271326749 /nfs/dbraw/zinc/32/67/49/271326749.db2.gz FPHOPSFBTBKBRY-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419858370 271333118 /nfs/dbraw/zinc/33/31/18/271333118.db2.gz LPNBVRJNAIHZDA-KFWWJZLASA-N 1 3 324.469 0.339 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000420148107 271358976 /nfs/dbraw/zinc/35/89/76/271358976.db2.gz SYVFSJNIJAHJKG-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCCCNC2=O)CC[NH2+]CC1 ZINC000422835054 271388788 /nfs/dbraw/zinc/38/87/88/271388788.db2.gz YBBIDJBSNBYLND-CHWSQXEVSA-N 1 3 311.426 0.566 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000459915625 272019931 /nfs/dbraw/zinc/01/99/31/272019931.db2.gz HQOSZZUMEIZNSC-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)(C)OC(=O)NCCCNC[C@H](O)C[NH+]1CCCC1 ZINC000497091463 272368522 /nfs/dbraw/zinc/36/85/22/272368522.db2.gz RGUWYUZLJYQYDX-ZDUSSCGKSA-N 1 3 301.431 0.948 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000341996969 276365602 /nfs/dbraw/zinc/36/56/02/276365602.db2.gz DROVPSSPZNIFRJ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000417861528 277289788 /nfs/dbraw/zinc/28/97/88/277289788.db2.gz ZLZAXXYYLMHADL-MYZSUADSSA-N 1 3 310.442 0.759 20 0 DCADHO C[C@H](C[NH3+])C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262364591 278180177 /nfs/dbraw/zinc/18/01/77/278180177.db2.gz KTXQMOCOGQRSEX-GFCCVEGCSA-N 1 3 306.410 0.189 20 0 DCADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCN1CC[NH2+]CC1 ZINC000414866493 278291825 /nfs/dbraw/zinc/29/18/25/278291825.db2.gz FIADMXMGWMJXMX-AWEZNQCLSA-N 1 3 311.451 0.344 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000547296265 288035997 /nfs/dbraw/zinc/03/59/97/288035997.db2.gz QGLZVOZKNCEABI-YCPHGPKFSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000547296265 288035999 /nfs/dbraw/zinc/03/59/99/288035999.db2.gz QGLZVOZKNCEABI-YCPHGPKFSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547297690 288036491 /nfs/dbraw/zinc/03/64/91/288036491.db2.gz NZWNHFUVJOTHMG-HOCLYGCPSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000547297690 288036494 /nfs/dbraw/zinc/03/64/94/288036494.db2.gz NZWNHFUVJOTHMG-HOCLYGCPSA-N 1 3 312.458 0.473 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCN(C)CCCOC)C1 ZINC000337645018 279292466 /nfs/dbraw/zinc/29/24/66/279292466.db2.gz IBXWFZJXWRKEBT-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCN(C)CCCOC)C1 ZINC000337645018 279292468 /nfs/dbraw/zinc/29/24/68/279292468.db2.gz IBXWFZJXWRKEBT-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369860945 279311129 /nfs/dbraw/zinc/31/11/29/279311129.db2.gz RAISRSHTQLAEFR-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369860945 279311131 /nfs/dbraw/zinc/31/11/31/279311131.db2.gz RAISRSHTQLAEFR-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000373040505 288123376 /nfs/dbraw/zinc/12/33/76/288123376.db2.gz SCFAVUSIBMVRCA-RISCZKNCSA-N 1 3 318.425 0.415 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000263270913 280273816 /nfs/dbraw/zinc/27/38/16/280273816.db2.gz WXSJTIIEJAEHBV-HOCLYGCPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](C(=O)N[C@@H](C)CN(C)C)[C@@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000553794891 288307523 /nfs/dbraw/zinc/30/75/23/288307523.db2.gz WRLHMOWHMQDUCO-IGQOVBAYSA-N 1 3 314.474 0.391 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn2c1OCCC2 ZINC000555889308 288365097 /nfs/dbraw/zinc/36/50/97/288365097.db2.gz PBDAIEDCPIAZKK-UHFFFAOYSA-N 1 3 309.414 0.231 20 0 DCADHO C[C@H](Cc1cnn(C)c1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563084153 288626844 /nfs/dbraw/zinc/62/68/44/288626844.db2.gz FWZTZYJJLBQZDN-CQSZACIVSA-N 1 3 324.473 0.486 20 0 DCADHO O=C(NC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1)[C@H]1CCC[NH2+]1 ZINC000564728059 288763027 /nfs/dbraw/zinc/76/30/27/288763027.db2.gz ASFCJDLEFBDANI-KFWWJZLASA-N 1 3 322.453 0.235 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565240071 288837209 /nfs/dbraw/zinc/83/72/09/288837209.db2.gz QPDMVPWFNHHXCQ-HUUCEWRRSA-N 1 3 316.405 0.132 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000565479233 288855672 /nfs/dbraw/zinc/85/56/72/288855672.db2.gz QSAMLXKJSWSHCR-UONOGXRCSA-N 1 3 312.458 0.866 20 0 DCADHO CN1CCC(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000339635975 289883356 /nfs/dbraw/zinc/88/33/56/289883356.db2.gz JEVWTIVEXUVBPY-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332303338 295304793 /nfs/dbraw/zinc/30/47/93/295304793.db2.gz IDHXHXRZONWGBM-KFWWJZLASA-N 1 3 322.453 0.459 20 0 DCADHO CN(C)C1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)Cc2ccccc2C1 ZINC000582170856 335700820 /nfs/dbraw/zinc/70/08/20/335700820.db2.gz AZCNEOOBFRSNNY-ZSHCYNCHSA-N 1 3 314.433 0.603 20 0 DCADHO C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000583018795 337225418 /nfs/dbraw/zinc/22/54/18/337225418.db2.gz BKOMDIVLWCRRHX-OLZOCXBDSA-N 1 3 308.426 0.829 20 0 DCADHO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCNC1 ZINC000583018795 337225419 /nfs/dbraw/zinc/22/54/19/337225419.db2.gz BKOMDIVLWCRRHX-OLZOCXBDSA-N 1 3 308.426 0.829 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000583036177 337232288 /nfs/dbraw/zinc/23/22/88/337232288.db2.gz BMQDFVVHQKCIDP-UHFFFAOYSA-N 1 3 300.447 0.866 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000584481260 337348896 /nfs/dbraw/zinc/34/88/96/337348896.db2.gz HDSWMGTXRXQZAF-HZSPNIEDSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001567560846 1160420148 /nfs/dbraw/zinc/42/01/48/1160420148.db2.gz SKHFEDQKKCULDZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001567560846 1160420155 /nfs/dbraw/zinc/42/01/55/1160420155.db2.gz SKHFEDQKKCULDZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415378952 533868380 /nfs/dbraw/zinc/86/83/80/533868380.db2.gz IUZFYAIUSNGXGS-UHFFFAOYSA-N 1 3 306.410 0.849 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000364214361 519765670 /nfs/dbraw/zinc/76/56/70/519765670.db2.gz MPIVBFWXOMGAEO-DOTOQJQBSA-N 1 3 309.454 0.992 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH2+]C)CC1=O ZINC000247309044 521653703 /nfs/dbraw/zinc/65/37/03/521653703.db2.gz QOIYLMPOLXSJPA-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366322076 524818709 /nfs/dbraw/zinc/81/87/09/524818709.db2.gz INGBUYPFJHGAGU-AWEZNQCLSA-N 1 3 310.486 0.988 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331868025 528997523 /nfs/dbraw/zinc/99/75/23/528997523.db2.gz AKZXTBRLWIXTJJ-RBSFLKMASA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC1([NH3+])CCC1 ZINC000237027491 545953222 /nfs/dbraw/zinc/95/32/22/545953222.db2.gz GSOHSUUVNIZGIY-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCC1 ZINC000237886938 545958245 /nfs/dbraw/zinc/95/82/45/545958245.db2.gz USMVEIGDLVMYSN-ZIAGYGMSSA-N 1 3 322.453 0.365 20 0 DCADHO C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333716618 546089401 /nfs/dbraw/zinc/08/94/01/546089401.db2.gz TXOKTLZXFKUDPT-ZIAGYGMSSA-N 1 3 315.425 0.634 20 0 DCADHO C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[NH+]1CCC(C)CC1 ZINC000333723444 546089772 /nfs/dbraw/zinc/08/97/72/546089772.db2.gz GWVFVIOBUNGTRT-CQSZACIVSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C ZINC000333835997 546094064 /nfs/dbraw/zinc/09/40/64/546094064.db2.gz UGZFMWQAVSRGRI-ZIAGYGMSSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@H]1NCCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1C ZINC000333835997 546094071 /nfs/dbraw/zinc/09/40/71/546094071.db2.gz UGZFMWQAVSRGRI-ZIAGYGMSSA-N 1 3 311.474 0.404 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358089794 546189309 /nfs/dbraw/zinc/18/93/09/546189309.db2.gz CFRGYQVYPDLFMJ-CQSZACIVSA-N 1 3 324.469 0.601 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358089794 546189317 /nfs/dbraw/zinc/18/93/17/546189317.db2.gz CFRGYQVYPDLFMJ-CQSZACIVSA-N 1 3 324.469 0.601 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457997898 546264855 /nfs/dbraw/zinc/26/48/55/546264855.db2.gz CQGSZGZNSRANAR-GJZGRUSLSA-N 1 3 314.474 0.863 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529298953 546286899 /nfs/dbraw/zinc/28/68/99/546286899.db2.gz JIHMXLASIGYXGY-HZPDHXFCSA-N 1 3 324.469 0.881 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000638069452 546336848 /nfs/dbraw/zinc/33/68/48/546336848.db2.gz PDHBPGYXFODIMH-YUTCNCBUSA-N 1 3 301.456 0.307 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CN(C)C(=O)[C@@H]1C ZINC000665763978 546396633 /nfs/dbraw/zinc/39/66/33/546396633.db2.gz QMEZQAIQKSHKFP-STQMWFEESA-N 1 3 313.446 0.088 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CN(C)C(=O)[C@@H]1C ZINC000665763978 546396635 /nfs/dbraw/zinc/39/66/35/546396635.db2.gz QMEZQAIQKSHKFP-STQMWFEESA-N 1 3 313.446 0.088 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804503 546513597 /nfs/dbraw/zinc/51/35/97/546513597.db2.gz PLLLCZOYTKRWSB-UHFFFAOYSA-N 1 3 306.410 0.932 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666971622 546535864 /nfs/dbraw/zinc/53/58/64/546535864.db2.gz BKUXYFXGCIDFCP-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000667264684 546580037 /nfs/dbraw/zinc/58/00/37/546580037.db2.gz UFBYERABXDOOBR-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO CCN(C(=O)C(=O)NCC[NH+](CC)CC)[C@H]1CCN(CC)C1 ZINC000668328080 546729166 /nfs/dbraw/zinc/72/91/66/546729166.db2.gz MXRZAUKKAVSHBE-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000668498102 546770750 /nfs/dbraw/zinc/77/07/50/546770750.db2.gz NMLMWWDTRBIGOV-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000668498102 546770751 /nfs/dbraw/zinc/77/07/51/546770751.db2.gz NMLMWWDTRBIGOV-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000668731585 546836669 /nfs/dbraw/zinc/83/66/69/546836669.db2.gz KPPVURJJWPWBIQ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000668731585 546836672 /nfs/dbraw/zinc/83/66/72/546836672.db2.gz KPPVURJJWPWBIQ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000668794431 546848177 /nfs/dbraw/zinc/84/81/77/546848177.db2.gz HIBKLCIYTWGWFR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000668794431 546848181 /nfs/dbraw/zinc/84/81/81/546848181.db2.gz HIBKLCIYTWGWFR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCCN2CC)C1 ZINC000668794431 546848184 /nfs/dbraw/zinc/84/81/84/546848184.db2.gz HIBKLCIYTWGWFR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@]2(N(C)C)CCSC2)CCO1 ZINC000669514951 546983575 /nfs/dbraw/zinc/98/35/75/546983575.db2.gz VHSGZPJOORQYSI-OBJOEFQTSA-N 1 3 316.471 0.181 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000669529078 546986014 /nfs/dbraw/zinc/98/60/14/546986014.db2.gz DESUTVYDEVBTOR-HZPDHXFCSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCCO1 ZINC000669570925 546993146 /nfs/dbraw/zinc/99/31/46/546993146.db2.gz RGUGIJFPMFVHEI-BZUAXINKSA-N 1 3 324.469 0.738 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000670545916 547115075 /nfs/dbraw/zinc/11/50/75/547115075.db2.gz UEGONBQOYUFRTR-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671181318 547174645 /nfs/dbraw/zinc/17/46/45/547174645.db2.gz LZWURJVCBQYZDR-RRFJBIMHSA-N 1 3 320.437 0.036 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671181318 547174648 /nfs/dbraw/zinc/17/46/48/547174648.db2.gz LZWURJVCBQYZDR-RRFJBIMHSA-N 1 3 320.437 0.036 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@H](N2CC[C@@]3(C2)CCCOC3)C1=O ZINC000671191827 547175410 /nfs/dbraw/zinc/17/54/10/547175410.db2.gz INTRBGFWIHMVEB-XJKSGUPXSA-N 1 3 309.410 0.178 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)C1CC[NH+](C)CC1 ZINC000672007647 547311773 /nfs/dbraw/zinc/31/17/73/547311773.db2.gz CYZOAPCYHYJZTK-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)C1CC[NH+](C)CC1 ZINC000672015301 547313818 /nfs/dbraw/zinc/31/38/18/547313818.db2.gz UFWAZXSSKJIHNM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000674699675 547617713 /nfs/dbraw/zinc/61/77/13/547617713.db2.gz RGKOEKLTEMRQGU-IHRRRGAJSA-N 1 3 310.442 0.632 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000674699675 547617718 /nfs/dbraw/zinc/61/77/18/547617718.db2.gz RGKOEKLTEMRQGU-IHRRRGAJSA-N 1 3 310.442 0.632 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCOC)C[C@H]21 ZINC000978235174 660504107 /nfs/dbraw/zinc/50/41/07/660504107.db2.gz SYAKFSJZGQIRCX-JONQDZQNSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCOC)C[C@H]21 ZINC000978235174 660504108 /nfs/dbraw/zinc/50/41/08/660504108.db2.gz SYAKFSJZGQIRCX-JONQDZQNSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H](O)CN1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889503 660888872 /nfs/dbraw/zinc/88/88/72/660888872.db2.gz ASVZFBVVLXJYEA-KBPBESRZSA-N 1 3 323.441 0.020 20 0 DCADHO CO[C@@H](C)CN1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176260 661094258 /nfs/dbraw/zinc/09/42/58/661094258.db2.gz RRVGJCGAIIFLMM-GOEBONIOSA-N 1 3 309.454 0.897 20 0 DCADHO C1C[C@H]([NH2+][C@@H]2CNCC3(CCOCC3)C2)[C@H]([C@H]2COCCN2)C1 ZINC000925792342 661092568 /nfs/dbraw/zinc/09/25/68/661092568.db2.gz FVUCFASIXUDOJB-VVLHAWIVSA-N 1 3 323.481 0.892 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1)N1CCCC1 ZINC000981272597 661122812 /nfs/dbraw/zinc/12/28/12/661122812.db2.gz RPCLAJNGXQQDEI-QWHCGFSZSA-N 1 3 310.442 0.363 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CCCO)C3)C2)CCC1 ZINC001041356540 661206234 /nfs/dbraw/zinc/20/62/34/661206234.db2.gz YXEAUFBWODKRRR-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CCCO)C3)C2)CCC1 ZINC001041356540 661206236 /nfs/dbraw/zinc/20/62/36/661206236.db2.gz YXEAUFBWODKRRR-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CCCO)C3)C2)CCC1 ZINC001041356542 661206574 /nfs/dbraw/zinc/20/65/74/661206574.db2.gz YXEAUFBWODKRRR-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CCCO)C3)C2)CCC1 ZINC001041356542 661206575 /nfs/dbraw/zinc/20/65/75/661206575.db2.gz YXEAUFBWODKRRR-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812818 661222415 /nfs/dbraw/zinc/22/24/15/661222415.db2.gz VVIULBWTWUSQPC-DZGCQCFKSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812818 661222417 /nfs/dbraw/zinc/22/24/17/661222417.db2.gz VVIULBWTWUSQPC-DZGCQCFKSA-N 1 3 309.454 0.632 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)O)C2)N(C)C ZINC000981992225 661268195 /nfs/dbraw/zinc/26/81/95/661268195.db2.gz SJGPEXPXQCKUGB-LSDHHAIUSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)O)C2)N(C)C ZINC000981992225 661268196 /nfs/dbraw/zinc/26/81/96/661268196.db2.gz SJGPEXPXQCKUGB-LSDHHAIUSA-N 1 3 311.470 0.878 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891538461 657466043 /nfs/dbraw/zinc/46/60/43/657466043.db2.gz ZRMMRVFIQKEHQK-IIAWOOMASA-N 1 3 310.442 0.681 20 0 DCADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001023084626 657485969 /nfs/dbraw/zinc/48/59/69/657485969.db2.gz VGOXKZHLDLNZQP-FPMFFAJLSA-N 1 3 319.409 0.174 20 0 DCADHO COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001023084626 657485974 /nfs/dbraw/zinc/48/59/74/657485974.db2.gz VGOXKZHLDLNZQP-FPMFFAJLSA-N 1 3 319.409 0.174 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000969200318 657557055 /nfs/dbraw/zinc/55/70/55/657557055.db2.gz YLAWXBWVVYBGPU-OLZOCXBDSA-N 1 3 308.426 0.069 20 0 DCADHO C[NH+]1CCC(CN2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000891634559 657561133 /nfs/dbraw/zinc/56/11/33/657561133.db2.gz PHJPIZYBENLVAV-UHFFFAOYSA-N 1 3 317.437 0.644 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490115 657571256 /nfs/dbraw/zinc/57/12/56/657571256.db2.gz LFDAORRRQSHOKA-CYBMUJFWSA-N 1 3 303.410 0.206 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C[C@@H](C)O)C2)CC1 ZINC000970669939 657765222 /nfs/dbraw/zinc/76/52/22/657765222.db2.gz GRVSLDYCBFYQLX-KGLIPLIRSA-N 1 3 311.470 0.924 20 0 DCADHO Cc1noc(CN[C@H]2C[C@@H](NC(=O)c3[nH]nc4c3CCC4)C2)n1 ZINC001022354098 657780750 /nfs/dbraw/zinc/78/07/50/657780750.db2.gz DDDTWYCLTRCBDO-AOOOYVTPSA-N 1 3 316.365 0.640 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970800766 657916680 /nfs/dbraw/zinc/91/66/80/657916680.db2.gz UBRHPNQYYDKEND-CABCVRRESA-N 1 3 320.441 0.343 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC000969563311 657983129 /nfs/dbraw/zinc/98/31/29/657983129.db2.gz BVTRMXPLJKREMP-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892079788 658167889 /nfs/dbraw/zinc/16/78/89/658167889.db2.gz ZYZIJSSVWGTTIB-HOCLYGCPSA-N 1 3 323.485 0.406 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001022647852 658221960 /nfs/dbraw/zinc/22/19/60/658221960.db2.gz NWDLCMOSKGWSLE-GASCZTMLSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000969948253 658282247 /nfs/dbraw/zinc/28/22/47/658282247.db2.gz JAVUBFVIXYMBQF-HUUCEWRRSA-N 1 3 305.426 0.558 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001023889883 658297790 /nfs/dbraw/zinc/29/77/90/658297790.db2.gz TYDHCCYTSPBDQA-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022721665 658386346 /nfs/dbraw/zinc/38/63/46/658386346.db2.gz YHIHIZHVDRTKDQ-SPWCGHHHSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022721665 658386359 /nfs/dbraw/zinc/38/63/59/658386359.db2.gz YHIHIZHVDRTKDQ-SPWCGHHHSA-N 1 3 317.437 0.720 20 0 DCADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CC2CC2)C1 ZINC000999142519 665585045 /nfs/dbraw/zinc/58/50/45/665585045.db2.gz CNGDRZKNLLYZTF-KUNBBXKYSA-N 1 3 319.449 0.839 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001024180448 658511274 /nfs/dbraw/zinc/51/12/74/658511274.db2.gz XXAOZGFZHKCYOE-KBPBESRZSA-N 1 3 306.410 0.817 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446934 658529004 /nfs/dbraw/zinc/52/90/04/658529004.db2.gz PQXTZBCCRACBOV-HDJSIYSDSA-N 1 3 300.447 0.724 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001020929493 658591399 /nfs/dbraw/zinc/59/13/99/658591399.db2.gz ZPQIKTIAZOIEJJ-BPUTZDHNSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001020929493 658591404 /nfs/dbraw/zinc/59/14/04/658591404.db2.gz ZPQIKTIAZOIEJJ-BPUTZDHNSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892463316 658592478 /nfs/dbraw/zinc/59/24/78/658592478.db2.gz AUZXATMFFINLIF-HPUBIQBYSA-N 1 3 323.485 0.678 20 0 DCADHO O=C(N[C@H]1C[C@H](NCc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC001020934339 658598165 /nfs/dbraw/zinc/59/81/65/658598165.db2.gz ROUVAWWYFUZUBM-HAQNSBGRSA-N 1 3 306.435 0.976 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1)N(C)C ZINC000972355225 658608721 /nfs/dbraw/zinc/60/87/21/658608721.db2.gz SZWQRDSZDVPOQU-KBPBESRZSA-N 1 3 308.430 0.151 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1)N(C)C ZINC000972355225 658608723 /nfs/dbraw/zinc/60/87/23/658608723.db2.gz SZWQRDSZDVPOQU-KBPBESRZSA-N 1 3 308.430 0.151 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)N2CCC(N3CCN(C)CC3)CC2)C[NH2+]1 ZINC000892290290 658630899 /nfs/dbraw/zinc/63/08/99/658630899.db2.gz IWGALICPEYRJID-HUUCEWRRSA-N 1 3 323.485 0.548 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001020980666 658647742 /nfs/dbraw/zinc/64/77/42/658647742.db2.gz QHJQHYMUFXSAMI-MGPQQGTHSA-N 1 3 306.410 0.924 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001021091931 658752156 /nfs/dbraw/zinc/75/21/56/658752156.db2.gz ZTDZKDYIEIFUOS-KCPJHIHWSA-N 1 3 318.421 0.472 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001021094275 658753392 /nfs/dbraw/zinc/75/33/92/658753392.db2.gz NCWLFWLJKSLKBR-QEJZJMRPSA-N 1 3 305.422 0.979 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC000970333848 658871351 /nfs/dbraw/zinc/87/13/51/658871351.db2.gz ANSZZPICBFWGDT-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000926469159 658901137 /nfs/dbraw/zinc/90/11/37/658901137.db2.gz FXMACGCWMWAYRN-QWHCGFSZSA-N 1 3 305.488 0.834 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC000999368365 665637875 /nfs/dbraw/zinc/63/78/75/665637875.db2.gz HKRZTZRVKNMXRX-HUUCEWRRSA-N 1 3 320.441 0.199 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC001027173415 659060539 /nfs/dbraw/zinc/06/05/39/659060539.db2.gz PTCYWGMDNBNJOA-CYBMUJFWSA-N 1 3 318.425 0.147 20 0 DCADHO CCn1ccnc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027215353 659085476 /nfs/dbraw/zinc/08/54/76/659085476.db2.gz HELQHGLIHJKCQV-LSDHHAIUSA-N 1 3 319.453 0.793 20 0 DCADHO CCn1ccnc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027215353 659085481 /nfs/dbraw/zinc/08/54/81/659085481.db2.gz HELQHGLIHJKCQV-LSDHHAIUSA-N 1 3 319.453 0.793 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000999408381 665642004 /nfs/dbraw/zinc/64/20/04/665642004.db2.gz JSDASSKSTCLXEQ-HSBZDZAISA-N 1 3 320.441 0.236 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000999408381 665642008 /nfs/dbraw/zinc/64/20/08/665642008.db2.gz JSDASSKSTCLXEQ-HSBZDZAISA-N 1 3 320.441 0.236 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)CN1CCN(C)CC1 ZINC000893238979 659135035 /nfs/dbraw/zinc/13/50/35/659135035.db2.gz WYEKAFKGZKCMSE-OAGGEKHMSA-N 1 3 323.485 0.215 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)CN1CCN(C)CC1 ZINC000893238979 659135039 /nfs/dbraw/zinc/13/50/39/659135039.db2.gz WYEKAFKGZKCMSE-OAGGEKHMSA-N 1 3 323.485 0.215 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000974148945 659229906 /nfs/dbraw/zinc/22/99/06/659229906.db2.gz BHKPHCPASHROLU-TUVASFSCSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000974148945 659229909 /nfs/dbraw/zinc/22/99/09/659229909.db2.gz BHKPHCPASHROLU-TUVASFSCSA-N 1 3 322.453 0.043 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000936280228 659419921 /nfs/dbraw/zinc/41/99/21/659419921.db2.gz KFBUIAFTEDVIOJ-CYBMUJFWSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1Cc3ccccc3CN1)C2 ZINC000892792045 659457138 /nfs/dbraw/zinc/45/71/38/659457138.db2.gz NXJJEJKWMZTDFK-LZLYRXPVSA-N 1 3 314.433 0.952 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000892818359 659471586 /nfs/dbraw/zinc/47/15/86/659471586.db2.gz KKUCTFUDSSQWOE-QLFBSQMISA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000892818359 659471589 /nfs/dbraw/zinc/47/15/89/659471589.db2.gz KKUCTFUDSSQWOE-QLFBSQMISA-N 1 3 310.442 0.491 20 0 DCADHO [NH3+][C@@H]1C[C@@H](NCC2(N3CCOCC3)CCOCC2)C12CCC2 ZINC000925689119 659480256 /nfs/dbraw/zinc/48/02/56/659480256.db2.gz AZHXRVZHKWNWFS-HUUCEWRRSA-N 1 3 309.454 0.727 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026727075 659481352 /nfs/dbraw/zinc/48/13/52/659481352.db2.gz JMXZKCHJNTZRSV-HIFRSBDPSA-N 1 3 305.426 0.452 20 0 DCADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734488 659491397 /nfs/dbraw/zinc/49/13/97/659491397.db2.gz ODOGYVFQVJZJJB-ZFWWWQNUSA-N 1 3 320.441 0.330 20 0 DCADHO CCC1([NH3+])CCN(C(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000892931570 659513683 /nfs/dbraw/zinc/51/36/83/659513683.db2.gz BZUYWEQCOZIAKT-CQSZACIVSA-N 1 3 312.458 0.746 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000999764376 665681108 /nfs/dbraw/zinc/68/11/08/665681108.db2.gz JNCPYIXIMNGGLS-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025778869 659554770 /nfs/dbraw/zinc/55/47/70/659554770.db2.gz OKCIECFCTGROCE-ZOFXXKQRSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025778869 659554773 /nfs/dbraw/zinc/55/47/73/659554773.db2.gz OKCIECFCTGROCE-ZOFXXKQRSA-N 1 3 321.465 0.942 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(N)=O ZINC001019815776 659616564 /nfs/dbraw/zinc/61/65/64/659616564.db2.gz MROWQMPBTYCRLK-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001026884667 659623819 /nfs/dbraw/zinc/62/38/19/659623819.db2.gz BBABQMWERYROKF-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001026889360 659625473 /nfs/dbraw/zinc/62/54/73/659625473.db2.gz VPNWRKWRCVKLRI-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1)C1CC1 ZINC001026886677 659626673 /nfs/dbraw/zinc/62/66/73/659626673.db2.gz DEHNMMKIIZXWLV-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC001026887479 659627737 /nfs/dbraw/zinc/62/77/37/659627737.db2.gz PTKYOALIBCRUHZ-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO COc1ccnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCN3C)C2)c1 ZINC001020025675 659659801 /nfs/dbraw/zinc/65/98/01/659659801.db2.gz YAHXWZHSZPQODL-XJKCOSOUSA-N 1 3 318.421 0.921 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1)N(C)C ZINC001027069652 659755967 /nfs/dbraw/zinc/75/59/67/659755967.db2.gz YKPRCEPQKIXDQU-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001027069234 659756646 /nfs/dbraw/zinc/75/66/46/659756646.db2.gz NOYXFUQEBVHVPC-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001027063800 659760617 /nfs/dbraw/zinc/76/06/17/659760617.db2.gz SESKUNFWHAOTQJ-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091720 659799419 /nfs/dbraw/zinc/79/94/19/659799419.db2.gz SPSZRYIXHCBFIH-LBPRGKRZSA-N 1 3 302.382 0.324 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCn1cccn1)C12CC[NH+](CC1)C2 ZINC001028265821 661368939 /nfs/dbraw/zinc/36/89/39/661368939.db2.gz KTSJZSRGFYGCJC-HNNXBMFYSA-N 1 3 317.437 0.560 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001000227610 665788636 /nfs/dbraw/zinc/78/86/36/665788636.db2.gz OVGYNELPANFQSC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCC1 ZINC000894332152 661897422 /nfs/dbraw/zinc/89/74/22/661897422.db2.gz NODWZMOSVJWNQY-LSDHHAIUSA-N 1 3 324.469 0.711 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001000322886 665819721 /nfs/dbraw/zinc/81/97/21/665819721.db2.gz FPXZNEUPLAFLOU-KGLIPLIRSA-N 1 3 306.410 0.959 20 0 DCADHO COC(=O)COc1ccccc1CNCC1(O)CC[NH+](C)CC1 ZINC000921768716 665834408 /nfs/dbraw/zinc/83/44/08/665834408.db2.gz AERYXMBPFNDOHL-UHFFFAOYSA-N 1 3 322.405 0.785 20 0 DCADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896748995 662310325 /nfs/dbraw/zinc/31/03/25/662310325.db2.gz NLAWEUMPHSJUMK-IMJJTQAJSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896748995 662310326 /nfs/dbraw/zinc/31/03/26/662310326.db2.gz NLAWEUMPHSJUMK-IMJJTQAJSA-N 1 3 322.453 0.585 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984799282 662316049 /nfs/dbraw/zinc/31/60/49/662316049.db2.gz DXWXEOQUNDTUND-IIAWOOMASA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984799282 662316050 /nfs/dbraw/zinc/31/60/50/662316050.db2.gz DXWXEOQUNDTUND-IIAWOOMASA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCCCC1 ZINC000320438855 662355693 /nfs/dbraw/zinc/35/56/93/662355693.db2.gz BWIVGUZDSCTSBE-ZDUSSCGKSA-N 1 3 320.441 0.807 20 0 DCADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000985117323 662369254 /nfs/dbraw/zinc/36/92/54/662369254.db2.gz SXYDVMOMRISNKY-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000985117323 662369256 /nfs/dbraw/zinc/36/92/56/662369256.db2.gz SXYDVMOMRISNKY-KKUMJFAQSA-N 1 3 317.437 0.721 20 0 DCADHO CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000896990059 662381884 /nfs/dbraw/zinc/38/18/84/662381884.db2.gz YOPLREWXKIHNNF-MRXNPFEDSA-N 1 3 307.438 0.792 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331483 662410933 /nfs/dbraw/zinc/41/09/33/662410933.db2.gz GHXQTJCGBAVASV-KGLIPLIRSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331483 662410935 /nfs/dbraw/zinc/41/09/35/662410935.db2.gz GHXQTJCGBAVASV-KGLIPLIRSA-N 1 3 310.442 0.267 20 0 DCADHO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001029673169 662447649 /nfs/dbraw/zinc/44/76/49/662447649.db2.gz WSSRCGQABLGVHA-GOEBONIOSA-N 1 3 319.453 0.795 20 0 DCADHO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001029673169 662447650 /nfs/dbraw/zinc/44/76/50/662447650.db2.gz WSSRCGQABLGVHA-GOEBONIOSA-N 1 3 319.453 0.795 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1)C1CCC1 ZINC001029756155 662466414 /nfs/dbraw/zinc/46/64/14/662466414.db2.gz YDVJAQPBMNZFGL-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCNC2=O)C1)C1CCC1 ZINC001029756155 662466416 /nfs/dbraw/zinc/46/64/16/662466416.db2.gz YDVJAQPBMNZFGL-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCNC1=O ZINC001029904996 662554580 /nfs/dbraw/zinc/55/45/80/662554580.db2.gz GISUEERHYAVZDA-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCNC1=O ZINC001029904996 662554581 /nfs/dbraw/zinc/55/45/81/662554581.db2.gz GISUEERHYAVZDA-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000729504103 662892172 /nfs/dbraw/zinc/89/21/72/662892172.db2.gz GJXAHXHEXMHKNN-HUUCEWRRSA-N 1 3 312.458 0.879 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000729504103 662892173 /nfs/dbraw/zinc/89/21/73/662892173.db2.gz GJXAHXHEXMHKNN-HUUCEWRRSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)CN1C(=O)CN1CCCC1 ZINC000989796514 662980359 /nfs/dbraw/zinc/98/03/59/662980359.db2.gz NFXRVRHWUHJNAE-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CC1(C)C[NH2+]CC[C@@H](NCC[C@H]2CNCCS2(=O)=O)C1 ZINC000902401960 663412335 /nfs/dbraw/zinc/41/23/35/663412335.db2.gz GHJGNPLNXJCPFD-OLZOCXBDSA-N 1 3 303.472 0.131 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000903423630 663455080 /nfs/dbraw/zinc/45/50/80/663455080.db2.gz ZAKWCQLWOKHVQU-WOPDTQHZSA-N 1 3 323.359 0.883 20 0 DCADHO O=C1CCC(=O)N1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509204 663459149 /nfs/dbraw/zinc/45/91/49/663459149.db2.gz DMRMKYUNPWSNPB-GASCZTMLSA-N 1 3 320.437 0.036 20 0 DCADHO O=C1CCC(=O)N1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509204 663459151 /nfs/dbraw/zinc/45/91/51/663459151.db2.gz DMRMKYUNPWSNPB-GASCZTMLSA-N 1 3 320.437 0.036 20 0 DCADHO O=C(NC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903725126 663475383 /nfs/dbraw/zinc/47/53/83/663475383.db2.gz WVHNTUPYPHJLBR-WBVHZDCISA-N 1 3 307.438 0.746 20 0 DCADHO Cc1noc([C@@H]2OCC[C@@H]2NC[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903776452 663483828 /nfs/dbraw/zinc/48/38/28/663483828.db2.gz UEUGPVFFTCNNCU-HZSPNIEDSA-N 1 3 322.409 0.956 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000903783626 663484455 /nfs/dbraw/zinc/48/44/55/663484455.db2.gz YONUQARGOLSVBI-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO COC(=O)c1ccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)o1 ZINC000903978869 663499002 /nfs/dbraw/zinc/49/90/02/663499002.db2.gz NSCQSQXUFJDOSX-USBNGQNGSA-N 1 3 322.361 0.779 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000903984277 663499953 /nfs/dbraw/zinc/49/99/53/663499953.db2.gz RVSKQVUMGCIRMN-UTUOFQBUSA-N 1 3 322.375 0.395 20 0 DCADHO Cn1ccc(C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000903987375 663500074 /nfs/dbraw/zinc/50/00/74/663500074.db2.gz DTFGCROXSYIAEJ-AWEZNQCLSA-N 1 3 319.453 0.797 20 0 DCADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905055187 663526306 /nfs/dbraw/zinc/52/63/06/663526306.db2.gz MWYXSDRULRVMMU-GDBMZVCRSA-N 1 3 300.443 0.741 20 0 DCADHO c1cc(-c2nc([C@@H]3CCCN3)no2)cc(N2CC[NH2+]CC2)n1 ZINC000905304905 663546553 /nfs/dbraw/zinc/54/65/53/663546553.db2.gz OCQOGBDDDPMXOV-LBPRGKRZSA-N 1 3 300.366 0.966 20 0 DCADHO CN1C[C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC000907563902 663705279 /nfs/dbraw/zinc/70/52/79/663705279.db2.gz IHDRGUUSWIHJBU-CABCVRRESA-N 1 3 315.483 0.686 20 0 DCADHO COc1cnccc1N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000907921044 663724169 /nfs/dbraw/zinc/72/41/69/663724169.db2.gz INLATOULQHOTBV-UHFFFAOYSA-N 1 3 316.405 0.835 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000908526389 663759172 /nfs/dbraw/zinc/75/91/72/663759172.db2.gz KTPQBJAAZSUTEG-AWEZNQCLSA-N 1 3 323.441 0.021 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000908526389 663759173 /nfs/dbraw/zinc/75/91/73/663759173.db2.gz KTPQBJAAZSUTEG-AWEZNQCLSA-N 1 3 323.441 0.021 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)N1CCCCC1 ZINC000910945039 663960803 /nfs/dbraw/zinc/96/08/03/663960803.db2.gz AIXCLHJHRGKMHB-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N1CCCCC1 ZINC000910947110 663961580 /nfs/dbraw/zinc/96/15/80/663961580.db2.gz SOQOFIYVZLTDBF-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911027509 663969060 /nfs/dbraw/zinc/96/90/60/663969060.db2.gz CQORHIRCUCSPEE-YJNKXOJESA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911055063 663973115 /nfs/dbraw/zinc/97/31/15/663973115.db2.gz MSDTXFIOOYQBHZ-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911030420 663973784 /nfs/dbraw/zinc/97/37/84/663973784.db2.gz VYQZYHCOOJIVME-APIJFGDWSA-N 1 3 324.469 0.276 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911071673 663978992 /nfs/dbraw/zinc/97/89/92/663978992.db2.gz CHANJGGBHLRCBE-NILFDRSVSA-N 1 3 318.421 0.184 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000911093710 663981159 /nfs/dbraw/zinc/98/11/59/663981159.db2.gz YDIKXFWIJHYIDG-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911161268 663995326 /nfs/dbraw/zinc/99/53/26/663995326.db2.gz KDHIDCQATDXEAT-CQSZACIVSA-N 1 3 310.442 0.032 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911205238 664004643 /nfs/dbraw/zinc/00/46/43/664004643.db2.gz AZTKMAGSSUSXMF-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911205820 664004664 /nfs/dbraw/zinc/00/46/64/664004664.db2.gz CGOBXXJZKOGQEL-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000911309513 664025555 /nfs/dbraw/zinc/02/55/55/664025555.db2.gz FFUBWBHGBDHCMY-QWHCGFSZSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000911375270 664045689 /nfs/dbraw/zinc/04/56/89/664045689.db2.gz UIQGKYFRYFNQFN-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911550692 664077254 /nfs/dbraw/zinc/07/72/54/664077254.db2.gz XBXAVNMAMQHITN-NIFZNCRKSA-N 1 3 320.437 0.081 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911564768 664082664 /nfs/dbraw/zinc/08/26/64/664082664.db2.gz WESQZSATMJVZDL-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911564372 664082777 /nfs/dbraw/zinc/08/27/77/664082777.db2.gz UHABDWRYRQUODF-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NC[C@@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000911715304 664101996 /nfs/dbraw/zinc/10/19/96/664101996.db2.gz XCHXAMLAOMWLPL-KBPBESRZSA-N 1 3 316.405 0.771 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031715385 665323224 /nfs/dbraw/zinc/32/32/24/665323224.db2.gz SXCKZRUOTSRDCP-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545661 665388488 /nfs/dbraw/zinc/38/84/88/665388488.db2.gz KDXMIOMKERYYBL-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545661 665388489 /nfs/dbraw/zinc/38/84/89/665388489.db2.gz KDXMIOMKERYYBL-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001002919124 666245098 /nfs/dbraw/zinc/24/50/98/666245098.db2.gz QPUUBRVACTUOGA-HNNXBMFYSA-N 1 3 324.469 0.243 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003971958 666418588 /nfs/dbraw/zinc/41/85/88/666418588.db2.gz SJCUMKAJHAMDCK-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001003971958 666418589 /nfs/dbraw/zinc/41/85/89/666418589.db2.gz SJCUMKAJHAMDCK-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1)C1CC1 ZINC000946623128 666556558 /nfs/dbraw/zinc/55/65/58/666556558.db2.gz CWPBQFNAHNQBHN-OWCLPIDISA-N 1 3 309.454 0.489 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1)C1CC1 ZINC000946623128 666556559 /nfs/dbraw/zinc/55/65/59/666556559.db2.gz CWPBQFNAHNQBHN-OWCLPIDISA-N 1 3 309.454 0.489 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)N(C)C ZINC000946642860 666575511 /nfs/dbraw/zinc/57/55/11/666575511.db2.gz SEHSNQPZSFJGGI-OWCLPIDISA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)N(C)C ZINC000946642860 666575513 /nfs/dbraw/zinc/57/55/13/666575513.db2.gz SEHSNQPZSFJGGI-OWCLPIDISA-N 1 3 311.470 0.879 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033278526 666658850 /nfs/dbraw/zinc/65/88/50/666658850.db2.gz PRBHWPYGCXPTKM-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033278526 666658852 /nfs/dbraw/zinc/65/88/52/666658852.db2.gz PRBHWPYGCXPTKM-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO CN(CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1)C1CCC1 ZINC000995914155 666721418 /nfs/dbraw/zinc/72/14/18/666721418.db2.gz CXHKDEBAXIHXIT-UONOGXRCSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)N1C[C@H]([NH2+][C@H]2CCNC2=O)C(C)(C)C1)C1CCC1 ZINC000995914127 666721630 /nfs/dbraw/zinc/72/16/30/666721630.db2.gz CXHKDEBAXIHXIT-KBPBESRZSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+]1CCC(C(=O)N2C[C@@H](N[C@@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996248265 666756172 /nfs/dbraw/zinc/75/61/72/666756172.db2.gz MRCNNSCFJCSICR-ZIAGYGMSSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3cnns3)CC2)CC[N@@H+]1C ZINC000996605166 666833563 /nfs/dbraw/zinc/83/35/63/666833563.db2.gz BKQPZWIUTWJLDY-BXUZGUMPSA-N 1 3 323.466 0.959 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3cnns3)CC2)CC[N@H+]1C ZINC000996605166 666833565 /nfs/dbraw/zinc/83/35/65/666833565.db2.gz BKQPZWIUTWJLDY-BXUZGUMPSA-N 1 3 323.466 0.959 20 0 DCADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC000861643532 666953343 /nfs/dbraw/zinc/95/33/43/666953343.db2.gz GVDNFHDBVAITSJ-OAHLLOKOSA-N 1 3 306.410 0.490 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCCN(CCO)C2)n1 ZINC001034210929 666955248 /nfs/dbraw/zinc/95/52/48/666955248.db2.gz WHMAAHKMUUYCCI-CQSZACIVSA-N 1 3 323.441 0.021 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CCCCC1 ZINC000861728836 666967301 /nfs/dbraw/zinc/96/73/01/666967301.db2.gz LOUGMTAAJSGEDP-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1CCCCC1 ZINC000861728150 666967697 /nfs/dbraw/zinc/96/76/97/666967697.db2.gz CVUSGGBZZFGLMG-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034318683 666988173 /nfs/dbraw/zinc/98/81/73/666988173.db2.gz DRQNDRRXLLNXHE-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034318683 666988174 /nfs/dbraw/zinc/98/81/74/666988174.db2.gz DRQNDRRXLLNXHE-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996945410 667035335 /nfs/dbraw/zinc/03/53/35/667035335.db2.gz JDYRLDOMGXMBEW-UHFFFAOYSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1)C(N)=O ZINC000996965342 667044540 /nfs/dbraw/zinc/04/45/40/667044540.db2.gz OSLOPAQRKWOONY-ZIAGYGMSSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC000997001376 667066583 /nfs/dbraw/zinc/06/65/83/667066583.db2.gz UHULRKPTSPHIPW-GXTWGEPZSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cnnn3C)CC2)C1 ZINC000997007995 667070558 /nfs/dbraw/zinc/07/05/58/667070558.db2.gz SSTDEINLJPUZOM-CYBMUJFWSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC000997008629 667071715 /nfs/dbraw/zinc/07/17/15/667071715.db2.gz WBEYVHAUBJINAE-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)N1CCCC1 ZINC001034704232 667114769 /nfs/dbraw/zinc/11/47/69/667114769.db2.gz LLHHKDNDPQZRIN-JOCQHMNTSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001034733851 667128066 /nfs/dbraw/zinc/12/80/66/667128066.db2.gz DZVOIJXJBUDXSG-ZQDZILKHSA-N 1 3 322.453 0.234 20 0 DCADHO CC1CCN(CC(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC000997115779 667144247 /nfs/dbraw/zinc/14/42/47/667144247.db2.gz QZCXLKYFDDPLDU-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421055 667250041 /nfs/dbraw/zinc/25/00/41/667250041.db2.gz CZDRJGBSLGIJFQ-CZUORRHYSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421055 667250043 /nfs/dbraw/zinc/25/00/43/667250043.db2.gz CZDRJGBSLGIJFQ-CZUORRHYSA-N 1 3 306.410 0.648 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001035125523 667251725 /nfs/dbraw/zinc/25/17/25/667251725.db2.gz IYMAAGZOIURKGF-CQSZACIVSA-N 1 3 305.426 0.597 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000997366407 667260440 /nfs/dbraw/zinc/26/04/40/667260440.db2.gz DQEYNJGCRIHNCP-GXTWGEPZSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1)C(N)=O ZINC000997366773 667260709 /nfs/dbraw/zinc/26/07/09/667260709.db2.gz KLPQPZWMHUERPY-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000865060026 667301398 /nfs/dbraw/zinc/30/13/98/667301398.db2.gz OLAQQBRATAICBC-LSDHHAIUSA-N 1 3 321.425 0.038 20 0 DCADHO Cn1cncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997605706 667346976 /nfs/dbraw/zinc/34/69/76/667346976.db2.gz GZXOGRLEGODFHV-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000997608256 667347225 /nfs/dbraw/zinc/34/72/25/667347225.db2.gz SUNWUXYMDCQUFW-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000997615811 667349093 /nfs/dbraw/zinc/34/90/93/667349093.db2.gz XAWWRFUXUAKBPY-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035795651 667410585 /nfs/dbraw/zinc/41/05/85/667410585.db2.gz XJMOVOMNEWUETB-CABCVRRESA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035795651 667410586 /nfs/dbraw/zinc/41/05/86/667410586.db2.gz XJMOVOMNEWUETB-CABCVRRESA-N 1 3 309.454 0.491 20 0 DCADHO COCC[C@@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000884211401 667499727 /nfs/dbraw/zinc/49/97/27/667499727.db2.gz CIRHWSUXCQZPAG-OAHLLOKOSA-N 1 3 309.410 0.954 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H](N)CC2CC2)CC1 ZINC000884218508 667502172 /nfs/dbraw/zinc/50/21/72/667502172.db2.gz PWGHGEPSUKXGOH-AWEZNQCLSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1nc(C)n([C@@H]2CCCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000923323076 667507847 /nfs/dbraw/zinc/50/78/47/667507847.db2.gz PWASQGCVKNQMKL-CABCVRRESA-N 1 3 305.426 0.910 20 0 DCADHO NCC(C[NH3+])NC[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923355577 667515394 /nfs/dbraw/zinc/51/53/94/667515394.db2.gz AIEDGDNQIHPNTP-QGZVFWFLSA-N 1 3 315.417 0.969 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001006066328 667522174 /nfs/dbraw/zinc/52/21/74/667522174.db2.gz QZCUROHGUNCXIE-CYBMUJFWSA-N 1 3 306.410 0.912 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868159952 667538510 /nfs/dbraw/zinc/53/85/10/667538510.db2.gz AOARIDWVUPQUDL-OLZOCXBDSA-N 1 3 306.414 0.803 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884450702 667547509 /nfs/dbraw/zinc/54/75/09/667547509.db2.gz QGGPCMSTPGARBB-BPUTZDHNSA-N 1 3 305.422 0.844 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884450702 667547511 /nfs/dbraw/zinc/54/75/11/667547511.db2.gz QGGPCMSTPGARBB-BPUTZDHNSA-N 1 3 305.422 0.844 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@H]1[NH3+] ZINC000868406494 667567055 /nfs/dbraw/zinc/56/70/55/667567055.db2.gz NMVYNKDUBGJPCE-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@@H]1[NH3+] ZINC000868406495 667567208 /nfs/dbraw/zinc/56/72/08/667567208.db2.gz NMVYNKDUBGJPCE-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884577789 667569388 /nfs/dbraw/zinc/56/93/88/667569388.db2.gz MAOZZIDPOFIFTB-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N1CCNCCC12CCC2)C1CC1 ZINC000884601530 667572997 /nfs/dbraw/zinc/57/29/97/667572997.db2.gz OBKNCIHUNKWGAO-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N1CCNCCC12CCC2)C1CC1 ZINC000884601530 667573000 /nfs/dbraw/zinc/57/30/00/667573000.db2.gz OBKNCIHUNKWGAO-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)C2CNC2)C1 ZINC000923590197 667573894 /nfs/dbraw/zinc/57/38/94/667573894.db2.gz ZQZDIWGWAVBPQP-BETUJISGSA-N 1 3 303.472 0.636 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)C2CNC2)C1 ZINC000923590197 667573897 /nfs/dbraw/zinc/57/38/97/667573897.db2.gz ZQZDIWGWAVBPQP-BETUJISGSA-N 1 3 303.472 0.636 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884650284 667582060 /nfs/dbraw/zinc/58/20/60/667582060.db2.gz DWJAGINETNNENY-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884786381 667607274 /nfs/dbraw/zinc/60/72/74/667607274.db2.gz POXWJBOALSDTLF-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884786379 667607324 /nfs/dbraw/zinc/60/73/24/667607324.db2.gz POXWJBOALSDTLF-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884885264 667618877 /nfs/dbraw/zinc/61/88/77/667618877.db2.gz YGLVLIARJSWEGN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cn1 ZINC000869776222 667679942 /nfs/dbraw/zinc/67/99/42/667679942.db2.gz AAOCTBOSJFMDCI-AWEZNQCLSA-N 1 3 323.441 0.020 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870902491 667771707 /nfs/dbraw/zinc/77/17/07/667771707.db2.gz INRRUFFEJSRWDN-BZUAXINKSA-N 1 3 310.486 0.894 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)CC[NH2+]CC2CC2)CC1 ZINC000870903325 667771818 /nfs/dbraw/zinc/77/18/18/667771818.db2.gz VJVHUYLVFQAJBX-OAHLLOKOSA-N 1 3 310.486 0.766 20 0 DCADHO COCCN(C)C(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000871604196 667839781 /nfs/dbraw/zinc/83/97/81/667839781.db2.gz XDKVYSXQLFFJFF-ZDUSSCGKSA-N 1 3 313.446 0.032 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000872146865 667868188 /nfs/dbraw/zinc/86/81/88/667868188.db2.gz ZIHSZASMDQKFDF-VTMBPIDISA-N 1 3 321.421 0.811 20 0 DCADHO [NH3+]CC[C@H]1CN(S(=O)(=O)N2CCNCC2)c2ccccc21 ZINC000923637858 668240362 /nfs/dbraw/zinc/24/03/62/668240362.db2.gz VGCMBRHWFGDKIN-LBPRGKRZSA-N 1 3 310.423 0.089 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000924982726 668259558 /nfs/dbraw/zinc/25/95/58/668259558.db2.gz WQIGKLGMADKXAM-IAGOWNOFSA-N 1 3 317.433 0.616 20 0 DCADHO CN1C[C@H](O)C[C@@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000924982726 668259561 /nfs/dbraw/zinc/25/95/61/668259561.db2.gz WQIGKLGMADKXAM-IAGOWNOFSA-N 1 3 317.433 0.616 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000925005480 668264032 /nfs/dbraw/zinc/26/40/32/668264032.db2.gz NTDOFMIXSPZZCB-JKSUJKDBSA-N 1 3 305.422 0.372 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000925005480 668264034 /nfs/dbraw/zinc/26/40/34/668264034.db2.gz NTDOFMIXSPZZCB-JKSUJKDBSA-N 1 3 305.422 0.372 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H](C2CCCCC2)[NH+](C)C)C1=O ZINC000925280912 668289045 /nfs/dbraw/zinc/28/90/45/668289045.db2.gz BWDUTIWTSFAJMI-KBPBESRZSA-N 1 3 310.442 0.979 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925556776 668329316 /nfs/dbraw/zinc/32/93/16/668329316.db2.gz LENGNQJUBNDBME-LSDHHAIUSA-N 1 3 308.470 0.803 20 0 DCADHO CN(C)C(=O)CN1CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925565858 668329672 /nfs/dbraw/zinc/32/96/72/668329672.db2.gz ALCOANLLSULOCX-RFLUGMABSA-N 1 3 306.454 0.125 20 0 DCADHO CC1(C)C[C@@H](N[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]([NH3+])C1 ZINC000925602811 668334024 /nfs/dbraw/zinc/33/40/24/668334024.db2.gz XZOOMVUIYQNUEO-AGIUHOORSA-N 1 3 303.472 0.906 20 0 DCADHO c1ccc(CN2CCCO[C@@H](CN[C@@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925650475 668338505 /nfs/dbraw/zinc/33/85/05/668338505.db2.gz OYEVQZWVMNSFLR-MSOLQXFVSA-N 1 3 319.449 0.856 20 0 DCADHO CN1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927645949 668492314 /nfs/dbraw/zinc/49/23/14/668492314.db2.gz QHLCRGAUBJDHGC-HNNXBMFYSA-N 1 3 310.442 0.587 20 0 DCADHO CN1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927645949 668492315 /nfs/dbraw/zinc/49/23/15/668492315.db2.gz QHLCRGAUBJDHGC-HNNXBMFYSA-N 1 3 310.442 0.587 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000927648967 668492475 /nfs/dbraw/zinc/49/24/75/668492475.db2.gz UKOKGKOWCQKTHU-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752628 668501714 /nfs/dbraw/zinc/50/17/14/668501714.db2.gz VHMZILZKYRJSAT-KGLIPLIRSA-N 1 3 322.453 0.126 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876780394 668509859 /nfs/dbraw/zinc/50/98/59/668509859.db2.gz GODXEKWTLOKIMO-UONOGXRCSA-N 1 3 300.422 0.078 20 0 DCADHO C[C@H](CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000876782400 668510439 /nfs/dbraw/zinc/51/04/39/668510439.db2.gz PYUPWSOOYMRBTM-QDNWOOLPSA-N 1 3 308.470 0.542 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000877199948 668575144 /nfs/dbraw/zinc/57/51/44/668575144.db2.gz CLMBJSRLQSEFRX-AWEZNQCLSA-N 1 3 313.442 0.894 20 0 DCADHO CN1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCC1(C)C ZINC000877206013 668576085 /nfs/dbraw/zinc/57/60/85/668576085.db2.gz ALGPQUHNVKIDTF-ZDUSSCGKSA-N 1 3 320.441 0.759 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c2)nn1 ZINC000877208069 668576582 /nfs/dbraw/zinc/57/65/82/668576582.db2.gz RPGRQIKGFHKVTN-HNNXBMFYSA-N 1 3 318.356 0.044 20 0 DCADHO CN(C)C[C@H](N)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877223805 668578402 /nfs/dbraw/zinc/57/84/02/668578402.db2.gz AXRWDMLOVGSMGR-INIZCTEOSA-N 1 3 318.465 0.655 20 0 DCADHO COc1ccc([C@@H]2CN(C(=O)[C@@H](N)CC(F)F)C[C@H]2[NH3+])cc1 ZINC000877237700 668580686 /nfs/dbraw/zinc/58/06/86/668580686.db2.gz GHDOLXOMAIRHJD-RWMBFGLXSA-N 1 3 313.348 0.931 20 0 DCADHO COC[C@@]1(C(=O)NC[C@H]2Cc3ccccc3CN2)CC[NH2+]C1 ZINC000877341869 668605613 /nfs/dbraw/zinc/60/56/13/668605613.db2.gz XCPPWXBEVHMVPS-NVXWUHKLSA-N 1 3 303.406 0.443 20 0 DCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877451280 668619837 /nfs/dbraw/zinc/61/98/37/668619837.db2.gz NBOCWOVTPONYGB-GJZGRUSLSA-N 1 3 317.437 0.657 20 0 DCADHO CCOCCOCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000930136263 668967197 /nfs/dbraw/zinc/96/71/97/668967197.db2.gz KOOLAHWHENCOLR-IRXDYDNUSA-N 1 3 313.486 0.997 20 0 DCADHO CCOCCOCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000930136263 668967202 /nfs/dbraw/zinc/96/72/02/668967202.db2.gz KOOLAHWHENCOLR-IRXDYDNUSA-N 1 3 313.486 0.997 20 0 DCADHO CCOCCOCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000930136263 668967208 /nfs/dbraw/zinc/96/72/08/668967208.db2.gz KOOLAHWHENCOLR-IRXDYDNUSA-N 1 3 313.486 0.997 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879251309 669003154 /nfs/dbraw/zinc/00/31/54/669003154.db2.gz SZSDGHIWWZKGET-UHFFFAOYSA-N 1 3 303.472 0.686 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879522194 669053443 /nfs/dbraw/zinc/05/34/43/669053443.db2.gz GPKNSCGPIYEJJG-DOTOQJQBSA-N 1 3 307.438 0.954 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879522194 669053451 /nfs/dbraw/zinc/05/34/51/669053451.db2.gz GPKNSCGPIYEJJG-DOTOQJQBSA-N 1 3 307.438 0.954 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3COCCO3)CC2)CC1 ZINC000930750561 669075065 /nfs/dbraw/zinc/07/50/65/669075065.db2.gz HNXMVUVAQJSCKX-KRWDZBQOSA-N 1 3 311.470 0.894 20 0 DCADHO CCN1CCC([N@H+]2CCCN(C[C@H]3COCCO3)CC2)CC1 ZINC000930750561 669075071 /nfs/dbraw/zinc/07/50/71/669075071.db2.gz HNXMVUVAQJSCKX-KRWDZBQOSA-N 1 3 311.470 0.894 20 0 DCADHO O[C@H](CN1CCCN(c2cc[nH+]cc2)CC1)C[C@@]1(O)CCOC1 ZINC000930805401 669083440 /nfs/dbraw/zinc/08/34/40/669083440.db2.gz GYOFHTGCERZNEP-IRXDYDNUSA-N 1 3 321.421 0.496 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=S)NCC[NH+](C)C ZINC000782405106 669096920 /nfs/dbraw/zinc/09/69/20/669096920.db2.gz KABDRQYGLPWIQX-CYBMUJFWSA-N 1 3 314.499 0.608 20 0 DCADHO C[NH+]1CCC(OCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000931184252 669151363 /nfs/dbraw/zinc/15/13/63/669151363.db2.gz AHFYRVXNNQLPDI-DZGCQCFKSA-N 1 3 311.426 0.077 20 0 DCADHO C[NH+](C)CC1(O)CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000931488370 669211323 /nfs/dbraw/zinc/21/13/23/669211323.db2.gz QLIXGJKVZBOPLZ-OAHLLOKOSA-N 1 3 308.422 0.815 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933845667 669541218 /nfs/dbraw/zinc/54/12/18/669541218.db2.gz AELYFYJCNNAZDO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1cncc1CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000883437156 669687623 /nfs/dbraw/zinc/68/76/23/669687623.db2.gz KSNPVUGIJSLGQZ-CABCVRRESA-N 1 3 319.409 0.220 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883653307 669725818 /nfs/dbraw/zinc/72/58/18/669725818.db2.gz RBJIUGLJXVAWRF-UHFFFAOYSA-N 1 3 324.469 0.661 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N1CCCCC1 ZINC000793703912 669735234 /nfs/dbraw/zinc/73/52/34/669735234.db2.gz ZOVDIHKGDGMKFL-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C1CC1 ZINC000793727481 669738543 /nfs/dbraw/zinc/73/85/43/669738543.db2.gz TZDRGVOOLBFMHV-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C1CC1 ZINC000793727481 669738546 /nfs/dbraw/zinc/73/85/46/669738546.db2.gz TZDRGVOOLBFMHV-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCCCC1 ZINC000793723045 669738759 /nfs/dbraw/zinc/73/87/59/669738759.db2.gz WDAJDJUYPLGPHI-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCCCC1 ZINC000793723045 669738764 /nfs/dbraw/zinc/73/87/64/669738764.db2.gz WDAJDJUYPLGPHI-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC000950077528 669928825 /nfs/dbraw/zinc/92/88/25/669928825.db2.gz RKERUUXHBTXWBE-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000950077528 669928827 /nfs/dbraw/zinc/92/88/27/669928827.db2.gz RKERUUXHBTXWBE-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCO)C2)CCC1 ZINC001036735910 670166826 /nfs/dbraw/zinc/16/68/26/670166826.db2.gz RPLCHTVZRGSASH-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCO)C2)CCC1 ZINC001036735910 670166827 /nfs/dbraw/zinc/16/68/27/670166827.db2.gz RPLCHTVZRGSASH-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3)CC[C@@H]21 ZINC001036896407 670265746 /nfs/dbraw/zinc/26/57/46/670265746.db2.gz OGYQCDUBTHGDBV-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCCC3)CC[C@@H]21 ZINC001036896407 670265748 /nfs/dbraw/zinc/26/57/48/670265748.db2.gz OGYQCDUBTHGDBV-CABCVRRESA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000817157416 670903371 /nfs/dbraw/zinc/90/33/71/670903371.db2.gz JMLWWILHSWMLGC-ZNMIVQPWSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000817157416 670903373 /nfs/dbraw/zinc/90/33/73/670903373.db2.gz JMLWWILHSWMLGC-ZNMIVQPWSA-N 1 3 310.442 0.585 20 0 DCADHO CO[C@@H]1CCC[C@H]([C@@H](CO)NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852350665 671120963 /nfs/dbraw/zinc/12/09/63/671120963.db2.gz VSCXPIBTXLAOKN-ZJIFWQFVSA-N 1 3 300.443 0.599 20 0 DCADHO O=C(CN1CCCC1)N1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000820241451 671181263 /nfs/dbraw/zinc/18/12/63/671181263.db2.gz LWISMIGUKDRHMJ-UHFFFAOYSA-N 1 3 322.453 0.239 20 0 DCADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1cnnn1C ZINC000820807522 671230219 /nfs/dbraw/zinc/23/02/19/671230219.db2.gz KCFHKAFZQYTOOJ-ZDUSSCGKSA-N 1 3 315.425 0.813 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN(CCC(=O)OC)C1CCOCC1 ZINC000821380957 671276164 /nfs/dbraw/zinc/27/61/64/671276164.db2.gz UEMBHBSFLIDOPC-AWEZNQCLSA-N 1 3 302.415 0.343 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN(CCC(=O)OC)C1CCOCC1 ZINC000821380957 671276167 /nfs/dbraw/zinc/27/61/67/671276167.db2.gz UEMBHBSFLIDOPC-AWEZNQCLSA-N 1 3 302.415 0.343 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000821436999 671279492 /nfs/dbraw/zinc/27/94/92/671279492.db2.gz SFTZAUOTFPGPFU-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824401668 671429772 /nfs/dbraw/zinc/42/97/72/671429772.db2.gz PBJRXUSIIWYHCY-MELADBBJSA-N 1 3 313.442 0.574 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824401668 671429773 /nfs/dbraw/zinc/42/97/73/671429773.db2.gz PBJRXUSIIWYHCY-MELADBBJSA-N 1 3 313.442 0.574 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000841791402 671955992 /nfs/dbraw/zinc/95/59/92/671955992.db2.gz WGKAFQLDHCWNED-JKSUJKDBSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841791527 671956365 /nfs/dbraw/zinc/95/63/65/671956365.db2.gz YWSUIHHTCNMBIW-UTUOFQBUSA-N 1 3 318.368 0.146 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCCCC1 ZINC000842014864 671974091 /nfs/dbraw/zinc/97/40/91/671974091.db2.gz FRNODLQYEKVVPW-HSBZDZAISA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N1CCCCC1 ZINC000842015378 671974264 /nfs/dbraw/zinc/97/42/64/671974264.db2.gz KCAMFDIEEUFWFH-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC000842015937 671974594 /nfs/dbraw/zinc/97/45/94/671974594.db2.gz PJOMDTAANQTGJK-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CCCCC1 ZINC000842016389 671974639 /nfs/dbraw/zinc/97/46/39/671974639.db2.gz VAAPUBQIHFOERF-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000842016309 671974676 /nfs/dbraw/zinc/97/46/76/671974676.db2.gz UALKXXBVSQZZKQ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CCCCC1 ZINC000842016884 671975416 /nfs/dbraw/zinc/97/54/16/671975416.db2.gz YYZHFANEBIDBDB-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000842016833 671975443 /nfs/dbraw/zinc/97/54/43/671975443.db2.gz YPIZUFROOSZTJB-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO [NH3+]C[C@]12CCC[C@H]1CN([C@@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000846224634 672301672 /nfs/dbraw/zinc/30/16/72/672301672.db2.gz VSRGQDGKJSZUJH-LXZKKBNFSA-N 1 3 307.438 0.827 20 0 DCADHO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000892576827 685431747 /nfs/dbraw/zinc/43/17/47/685431747.db2.gz WSOSDZIMNVQLHM-SHTZXODSSA-N 1 3 310.442 0.478 20 0 DCADHO C[C@@H](C(=O)NC1CCC([NH2+]CC(N)=O)CC1)N1CCCCCC1 ZINC001026571668 693873200 /nfs/dbraw/zinc/87/32/00/693873200.db2.gz GWJPDICOXATPRG-NFOMZHRRSA-N 1 3 324.469 0.753 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=[NH2+])NC1CCCC1 ZINC000066246642 685065308 /nfs/dbraw/zinc/06/53/08/685065308.db2.gz WEDKZQPFDBSPPO-CQSZACIVSA-N 1 3 309.458 0.986 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2C[C@H]2CCCOC2)CC1 ZINC001038664343 694154304 /nfs/dbraw/zinc/15/43/04/694154304.db2.gz SYAZHUWTZMPBEN-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961468115 688626076 /nfs/dbraw/zinc/62/60/76/688626076.db2.gz VUVRPPOQCBCBHT-KBXIAJHMSA-N 1 3 309.454 0.942 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961468115 688626078 /nfs/dbraw/zinc/62/60/78/688626078.db2.gz VUVRPPOQCBCBHT-KBXIAJHMSA-N 1 3 309.454 0.942 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000962252106 688861503 /nfs/dbraw/zinc/86/15/03/688861503.db2.gz XEQQWPXYQOIYPG-UHFFFAOYSA-N 1 3 319.453 0.746 20 0 DCADHO C[NH+]1CCC(C(=O)NC2CC(CNCc3cnns3)C2)CC1 ZINC000962251663 688861690 /nfs/dbraw/zinc/86/16/90/688861690.db2.gz QHBOVENUQDJLAP-UHFFFAOYSA-N 1 3 323.466 0.864 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000962539722 688935627 /nfs/dbraw/zinc/93/56/27/688935627.db2.gz HIHVZXBIZZTHOM-UHFFFAOYSA-N 1 3 317.437 0.500 20 0 DCADHO C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000965063755 689347404 /nfs/dbraw/zinc/34/74/04/689347404.db2.gz LVGVATWREIFHOU-HWOPYCMZSA-N 1 3 309.454 0.726 20 0 DCADHO C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000965063753 689347826 /nfs/dbraw/zinc/34/78/26/689347826.db2.gz LVGVATWREIFHOU-AEPRKOQYSA-N 1 3 309.454 0.726 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968645022 690353430 /nfs/dbraw/zinc/35/34/30/690353430.db2.gz KDPKIGOUDIOAIS-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968645022 690353435 /nfs/dbraw/zinc/35/34/35/690353435.db2.gz KDPKIGOUDIOAIS-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011159549 691479455 /nfs/dbraw/zinc/47/94/55/691479455.db2.gz XXCRVRBYTMPKRW-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011159549 691479458 /nfs/dbraw/zinc/47/94/58/691479458.db2.gz XXCRVRBYTMPKRW-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011159259 691479470 /nfs/dbraw/zinc/47/94/70/691479470.db2.gz RBOFYMWHTLBDHF-LSDHHAIUSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011159259 691479473 /nfs/dbraw/zinc/47/94/73/691479473.db2.gz RBOFYMWHTLBDHF-LSDHHAIUSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001014483035 692028917 /nfs/dbraw/zinc/02/89/17/692028917.db2.gz KENUNCHCISTFFV-IIAWOOMASA-N 1 3 319.453 0.493 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001014483035 692028920 /nfs/dbraw/zinc/02/89/20/692028920.db2.gz KENUNCHCISTFFV-IIAWOOMASA-N 1 3 319.453 0.493 20 0 DCADHO O=C(N[C@@H]1CCN(C[C@@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001016003112 692544320 /nfs/dbraw/zinc/54/43/20/692544320.db2.gz BBQMHJVAMGGJBI-CABCVRRESA-N 1 3 307.438 0.842 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001016328768 692653597 /nfs/dbraw/zinc/65/35/97/692653597.db2.gz HLSPKQHHJYZFML-OAHLLOKOSA-N 1 3 305.422 0.935 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2)N(C)C ZINC001040381577 694544064 /nfs/dbraw/zinc/54/40/64/694544064.db2.gz XQHWDTLEBKFNCI-WBVHZDCISA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2)N(C)C ZINC001040381577 694544066 /nfs/dbraw/zinc/54/40/66/694544066.db2.gz XQHWDTLEBKFNCI-WBVHZDCISA-N 1 3 311.470 0.879 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001018990391 693310624 /nfs/dbraw/zinc/31/06/24/693310624.db2.gz IRHKKAZVROMFPL-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001018990391 693310627 /nfs/dbraw/zinc/31/06/27/693310627.db2.gz IRHKKAZVROMFPL-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001019032199 693329642 /nfs/dbraw/zinc/32/96/42/693329642.db2.gz LJBOXVVTSNKGAH-BFHYXJOUSA-N 1 3 320.441 0.296 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001019033367 693330780 /nfs/dbraw/zinc/33/07/80/693330780.db2.gz LCABXPJJTKRFKM-SOUVJXGZSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@@H]3CCN(C)C3=O)C2)CC[N@@H+]1C ZINC001019289176 693421390 /nfs/dbraw/zinc/42/13/90/693421390.db2.gz XYENJVHWZDSYHQ-ZQDZILKHSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC001019289176 693421392 /nfs/dbraw/zinc/42/13/92/693421392.db2.gz XYENJVHWZDSYHQ-ZQDZILKHSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019290119 693421926 /nfs/dbraw/zinc/42/19/26/693421926.db2.gz RGPPEZNIIQUMAH-XUXIUFHCSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019290119 693421930 /nfs/dbraw/zinc/42/19/30/693421930.db2.gz RGPPEZNIIQUMAH-XUXIUFHCSA-N 1 3 310.442 0.171 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC001019325304 693433194 /nfs/dbraw/zinc/43/31/94/693433194.db2.gz UJDWKGFBZROYMR-RISCZKNCSA-N 1 3 320.441 0.706 20 0 DCADHO Cn1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1=O ZINC001019437006 693472976 /nfs/dbraw/zinc/47/29/76/693472976.db2.gz CIHNYLIJBAWYHZ-ZDUSSCGKSA-N 1 3 315.377 0.042 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2)N(C)C ZINC001072851309 694674832 /nfs/dbraw/zinc/67/48/32/694674832.db2.gz QOTLDHIEIPZJGX-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2)N(C)C ZINC001072851309 694674833 /nfs/dbraw/zinc/67/48/33/694674833.db2.gz QOTLDHIEIPZJGX-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCOC2)C3)C1 ZINC001072983436 694691147 /nfs/dbraw/zinc/69/11/47/694691147.db2.gz WKJQVTYLWCNBIF-CVEARBPZSA-N 1 3 321.465 0.899 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](C[C@@H]2CCOC2)C3)C1 ZINC001072983436 694691149 /nfs/dbraw/zinc/69/11/49/694691149.db2.gz WKJQVTYLWCNBIF-CVEARBPZSA-N 1 3 321.465 0.899 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)n[nH]1 ZINC001074661629 694915618 /nfs/dbraw/zinc/91/56/18/694915618.db2.gz BZKRXHNQPYSWHZ-WVWOOGAGSA-N 1 3 320.441 0.532 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)n[nH]1 ZINC001074661629 694915619 /nfs/dbraw/zinc/91/56/19/694915619.db2.gz BZKRXHNQPYSWHZ-WVWOOGAGSA-N 1 3 320.441 0.532 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C)N(C)C ZINC001074710002 694918468 /nfs/dbraw/zinc/91/84/68/694918468.db2.gz ZFRXPMVVKMPEIC-MELADBBJSA-N 1 3 308.430 0.197 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001076588199 695030143 /nfs/dbraw/zinc/03/01/43/695030143.db2.gz NSRIRUKUDURVEG-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001076588199 695030144 /nfs/dbraw/zinc/03/01/44/695030144.db2.gz NSRIRUKUDURVEG-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001571580189 1162823657 /nfs/dbraw/zinc/82/36/57/1162823657.db2.gz KUUCFBNCYYZSQH-ZDUSSCGKSA-N 1 3 303.422 0.629 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001700160219 1157591206 /nfs/dbraw/zinc/59/12/06/1157591206.db2.gz ADPMOIITXATOFN-PBJSTTKNSA-N 1 3 303.834 0.896 20 0 DCADHO CN1C(=O)CC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001771702354 1157872008 /nfs/dbraw/zinc/87/20/08/1157872008.db2.gz NEXNTUZBVUAVLT-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CO[C@@H]1C[NH2+]C[C@H]1S(=O)(=O)[N-]CC[NH+](C(C)C)C(C)C ZINC000396676941 1157960160 /nfs/dbraw/zinc/96/01/60/1157960160.db2.gz ULGSNOQASBBPIE-CHWSQXEVSA-N 1 3 307.460 0.011 20 0 DCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@H](O)C[NH3+] ZINC001648992488 1158334148 /nfs/dbraw/zinc/33/41/48/1158334148.db2.gz ZJRKPYNQGCYUGO-INIZCTEOSA-N 1 3 307.438 0.719 20 0 DCADHO [NH3+]CCCc1ccc(OCC(=O)NC[C@H]2CNCCO2)cc1 ZINC001649008195 1158415355 /nfs/dbraw/zinc/41/53/55/1158415355.db2.gz RSJHNJWJCUNKLK-OAHLLOKOSA-N 1 3 307.394 0.061 20 0 DCADHO CCO[C@@H]1CN(C(=O)c2cc3c(s2)CNCC3)C[C@H]1C[NH3+] ZINC001649023248 1158492063 /nfs/dbraw/zinc/49/20/63/1158492063.db2.gz KKNGPSGZZCSAGX-VXGBXAGGSA-N 1 3 309.435 0.830 20 0 DCADHO O=C(c1cccc2c1OCCNC2)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001649092650 1158637599 /nfs/dbraw/zinc/63/75/99/1158637599.db2.gz JLFOPWSSTKJDPA-UONOGXRCSA-N 1 3 301.390 0.850 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001442235036 1159287374 /nfs/dbraw/zinc/28/73/74/1159287374.db2.gz QOHQZINXVUSEAQ-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001446441491 1159417374 /nfs/dbraw/zinc/41/73/74/1159417374.db2.gz UAMDAASMTVVVHD-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(C[C@H]2CCc3ncnn32)C1 ZINC001446552472 1159468911 /nfs/dbraw/zinc/46/89/11/1159468911.db2.gz BYKBHYBPTDYINT-CZUORRHYSA-N 1 3 320.441 0.298 20 0 DCADHO CN(CCC[N@H+](C)CCn1cccn1)C(=O)[C@@H]1CCCN1C ZINC001447330049 1159618875 /nfs/dbraw/zinc/61/88/75/1159618875.db2.gz YOXHBWBOVRUJBE-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CN(CCC[N@@H+](C)CCn1cccn1)C(=O)[C@@H]1CCCN1C ZINC001447330049 1159618879 /nfs/dbraw/zinc/61/88/79/1159618879.db2.gz YOXHBWBOVRUJBE-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001449064444 1159740375 /nfs/dbraw/zinc/74/03/75/1159740375.db2.gz WNUTZDRNPNQOHQ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]([NH2+]CCOCCO)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566534095 1160042177 /nfs/dbraw/zinc/04/21/77/1160042177.db2.gz RJNKGIVOTNQIBD-HIFRSBDPSA-N 1 3 324.425 0.320 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(=O)N(C)C ZINC001566572802 1160073563 /nfs/dbraw/zinc/07/35/63/1160073563.db2.gz GDJLKRMDHQDWLA-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001566897690 1160180091 /nfs/dbraw/zinc/18/00/91/1160180091.db2.gz YVCGUBIVBUGRAT-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)[N@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)N1CCC1 ZINC001567646708 1160447662 /nfs/dbraw/zinc/44/76/62/1160447662.db2.gz MFQJCYNYXPJEOW-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)N1CCC1 ZINC001567646708 1160447667 /nfs/dbraw/zinc/44/76/67/1160447667.db2.gz MFQJCYNYXPJEOW-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)CCOCCO)CC[N@@H+]1C ZINC001568493099 1160660072 /nfs/dbraw/zinc/66/00/72/1160660072.db2.gz IVYUAAGSMMAGHG-GJZGRUSLSA-N 1 3 315.458 0.116 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)CCOCCO)CC[N@H+]1C ZINC001568493099 1160660080 /nfs/dbraw/zinc/66/00/80/1160660080.db2.gz IVYUAAGSMMAGHG-GJZGRUSLSA-N 1 3 315.458 0.116 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568928734 1160874197 /nfs/dbraw/zinc/87/41/97/1160874197.db2.gz RFPZITITPGAYFU-MFHOCJEASA-N 1 3 324.469 0.647 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)C1 ZINC001574000458 1163620385 /nfs/dbraw/zinc/62/03/85/1163620385.db2.gz CVTKKNQPJJIQDJ-AAVRWANBSA-N 1 3 313.467 0.402 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001575138749 1163912583 /nfs/dbraw/zinc/91/25/83/1163912583.db2.gz CRFIFCYKRFWBIX-LBPRGKRZSA-N 1 3 308.426 0.874 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@@H](NCc2cn[nH]n2)C1)[NH+]1CCCC1 ZINC001575245632 1163954846 /nfs/dbraw/zinc/95/48/46/1163954846.db2.gz FIIPQKUIPJJQGQ-TXEJJXNPSA-N 1 3 306.414 0.416 20 0 DCADHO C[C@H](CC(=O)N[C@H](CO)CN1CCCCC1)C1CC[NH2+]CC1 ZINC001575924306 1164186374 /nfs/dbraw/zinc/18/63/74/1164186374.db2.gz WNOQGYJZVJQARK-ZBFHGGJFSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C1(F)CC[NH2+]CC1 ZINC001575962723 1164194615 /nfs/dbraw/zinc/19/46/15/1164194615.db2.gz WIHRKYLNAKZDRL-CYBMUJFWSA-N 1 3 300.422 0.220 20 0 DCADHO C[C@H](CNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2)[NH+](C)C ZINC001576033292 1164218124 /nfs/dbraw/zinc/21/81/24/1164218124.db2.gz QILWFFQFAWWKNF-ZWNOBZJWSA-N 1 3 304.394 0.579 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNCc2cn[nH]n2)C1 ZINC001576105478 1164242270 /nfs/dbraw/zinc/24/22/70/1164242270.db2.gz VCRALUCOEAPBGL-UKRRQHHQSA-N 1 3 320.441 0.617 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNCc2cn[nH]n2)C1 ZINC001576105478 1164242278 /nfs/dbraw/zinc/24/22/78/1164242278.db2.gz VCRALUCOEAPBGL-UKRRQHHQSA-N 1 3 320.441 0.617 20 0 DCADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001576311864 1164298660 /nfs/dbraw/zinc/29/86/60/1164298660.db2.gz UGJRSKFBRSWZGP-BFYDXBDKSA-N 1 3 319.449 0.938 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576478067 1164358926 /nfs/dbraw/zinc/35/89/26/1164358926.db2.gz MUGKAVTXMSCOJQ-DZGCQCFKSA-N 1 3 322.457 0.564 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2CCOC3(CC[NH2+]CC3)C2)CN1C1CC1 ZINC001576617139 1164414256 /nfs/dbraw/zinc/41/42/56/1164414256.db2.gz QFGBWTGXBBPFNE-UONOGXRCSA-N 1 3 322.453 0.776 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001578419496 1165008582 /nfs/dbraw/zinc/00/85/82/1165008582.db2.gz UWYDGHWUTWQQAB-IYBDPMFKSA-N 1 3 305.426 0.516 20 0 DCADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[NH2+]C[C@H]1O ZINC001578418544 1165008776 /nfs/dbraw/zinc/00/87/76/1165008776.db2.gz BJJDBJDRBDHZPD-UONOGXRCSA-N 1 3 317.389 0.947 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnc(N)c3)CC2)CC1 ZINC001578524727 1165043196 /nfs/dbraw/zinc/04/31/96/1165043196.db2.gz HMXHMRRKRWUDSA-UHFFFAOYSA-N 1 3 317.437 0.952 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC001578657507 1165082926 /nfs/dbraw/zinc/08/29/26/1165082926.db2.gz XFCHAEDNLLSQSO-GJZGRUSLSA-N 1 3 315.483 0.734 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001579490547 1165330924 /nfs/dbraw/zinc/33/09/24/1165330924.db2.gz UPYYHGFIQNOYGB-HNKHHVNMSA-N 1 3 307.438 0.554 20 0 DCADHO Cc1nnc(N2CC[C@H]([NH3+])C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001579911510 1165434239 /nfs/dbraw/zinc/43/42/39/1165434239.db2.gz RSXYZDXZXOVRBU-AWEZNQCLSA-N 1 3 321.473 0.150 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC001580311170 1165567511 /nfs/dbraw/zinc/56/75/11/1165567511.db2.gz IRUUJDPJEXXSRM-CQSZACIVSA-N 1 3 302.422 0.857 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001580509286 1165625887 /nfs/dbraw/zinc/62/58/87/1165625887.db2.gz TURBVGLKGZZJEA-VEDBGLOESA-N 1 3 321.465 0.965 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+]1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001580657752 1165676484 /nfs/dbraw/zinc/67/64/84/1165676484.db2.gz BBURDKHFCMOFQB-DOTOQJQBSA-N 1 3 318.421 0.285 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001646200121 1172284545 /nfs/dbraw/zinc/28/45/45/1172284545.db2.gz UMLXJUPLDCNJMZ-LSDHHAIUSA-N 1 3 311.474 0.535 20 0 DCADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C2)nn1 ZINC001646496130 1172404533 /nfs/dbraw/zinc/40/45/33/1172404533.db2.gz PNMPHLZUXKJEGQ-ATGSNQNLSA-N 1 3 307.398 0.178 20 0 DCADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C2)nn1 ZINC001646496130 1172404540 /nfs/dbraw/zinc/40/45/40/1172404540.db2.gz PNMPHLZUXKJEGQ-ATGSNQNLSA-N 1 3 307.398 0.178 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C[C@H](O)C[NH3+])c1cccc(OC)c1 ZINC001646735235 1172499547 /nfs/dbraw/zinc/49/95/47/1172499547.db2.gz BWHPVASWVJYMHA-GOEBONIOSA-N 1 3 323.437 0.904 20 0 DCADHO O=C1NCCN1C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC001647548030 1172964432 /nfs/dbraw/zinc/96/44/32/1172964432.db2.gz SZSNHQFAWYRKNM-GOEBONIOSA-N 1 3 308.426 0.245 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccn(C)n1 ZINC001649299004 1173091497 /nfs/dbraw/zinc/09/14/97/1173091497.db2.gz PKRHDIMIVYYTIB-AWEZNQCLSA-N 1 3 324.473 0.834 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccn(C)n1 ZINC001649299004 1173091503 /nfs/dbraw/zinc/09/15/03/1173091503.db2.gz PKRHDIMIVYYTIB-AWEZNQCLSA-N 1 3 324.473 0.834 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001649454900 1173139694 /nfs/dbraw/zinc/13/96/94/1173139694.db2.gz BDBXYBFWOCCLJB-CQSZACIVSA-N 1 3 313.442 0.324 20 0 DCADHO C[N@H+](C[C@@H](O)Cn1cc([C@@H](N)C2CCOCC2)nn1)C1CC1 ZINC001649972965 1173351214 /nfs/dbraw/zinc/35/12/14/1173351214.db2.gz BSDLLZHEFRVIIS-HIFRSBDPSA-N 1 3 309.414 0.160 20 0 DCADHO C[N@@H+](C[C@@H](O)Cn1cc([C@@H](N)C2CCOCC2)nn1)C1CC1 ZINC001649972965 1173351220 /nfs/dbraw/zinc/35/12/20/1173351220.db2.gz BSDLLZHEFRVIIS-HIFRSBDPSA-N 1 3 309.414 0.160 20 0 DCADHO COCCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001650335794 1173575478 /nfs/dbraw/zinc/57/54/78/1173575478.db2.gz DOGWWLOCXRGHJV-KFWWJZLASA-N 1 3 313.442 0.228 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001650348119 1173585496 /nfs/dbraw/zinc/58/54/96/1173585496.db2.gz KOOJYZQAZFTMBX-OBYFKMTLSA-N 1 3 317.433 0.723 20 0 DCADHO N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001650352386 1173587174 /nfs/dbraw/zinc/58/71/74/1173587174.db2.gz AGVGHPZLRCPLRY-ZIAGYGMSSA-N 1 3 302.378 0.142 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001650365961 1173594727 /nfs/dbraw/zinc/59/47/27/1173594727.db2.gz BBRBOFRLMWDOOK-LBPRGKRZSA-N 1 3 300.447 0.228 20 0 DCADHO CC(C)C[C@H]([NH3+])CC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001650380802 1173604898 /nfs/dbraw/zinc/60/48/98/1173604898.db2.gz QMPMDTBXGAARNQ-HNNXBMFYSA-N 1 3 310.486 0.988 20 0 DCADHO Cn1cc(CNCCOCC[NH+](C)C)c(C2CCOCC2)n1 ZINC001657210138 1173909477 /nfs/dbraw/zinc/90/94/77/1173909477.db2.gz VBQREMKPJGYTED-UHFFFAOYSA-N 1 3 310.442 0.982 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)[C@H](C)C(N)=O)CC[N@@H+]1C ZINC001660529581 1174007416 /nfs/dbraw/zinc/00/74/16/1174007416.db2.gz XQRFSDCIQJQIFN-HZSPNIEDSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)[C@H](C)C(N)=O)CC[N@H+]1C ZINC001660529581 1174007422 /nfs/dbraw/zinc/00/74/22/1174007422.db2.gz XQRFSDCIQJQIFN-HZSPNIEDSA-N 1 3 312.458 0.419 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001661610218 1174140283 /nfs/dbraw/zinc/14/02/83/1174140283.db2.gz KHJMMSOFDQDPIZ-OKILXGFUSA-N 1 3 324.469 0.624 20 0 DCADHO CN(CC[NH2+]CCCO[C@H]1CCOC1)C(=O)[C@H]1CCCN1C ZINC001663856084 1174362499 /nfs/dbraw/zinc/36/24/99/1174362499.db2.gz OWPKVMHUXWARCA-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001666144996 1174589910 /nfs/dbraw/zinc/58/99/10/1174589910.db2.gz BGPYUPCNGANXKV-KGLIPLIRSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001666992077 1174654072 /nfs/dbraw/zinc/65/40/72/1174654072.db2.gz LDHJNRZTFTUIEQ-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668214691 1174769850 /nfs/dbraw/zinc/76/98/50/1174769850.db2.gz NIBRZXLQXVWUOZ-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668214691 1174769854 /nfs/dbraw/zinc/76/98/54/1174769854.db2.gz NIBRZXLQXVWUOZ-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCCCN2C)C1=O ZINC001670143681 1174986117 /nfs/dbraw/zinc/98/61/17/1174986117.db2.gz GOFQCDZWCTUMAN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001687996470 1176325181 /nfs/dbraw/zinc/32/51/81/1176325181.db2.gz NHVPVYXFHKWFFA-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001689269766 1176782250 /nfs/dbraw/zinc/78/22/50/1176782250.db2.gz ZPDGRYNLBOFSGI-RYIMYRPNSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001689269766 1176782267 /nfs/dbraw/zinc/78/22/67/1176782267.db2.gz ZPDGRYNLBOFSGI-RYIMYRPNSA-N 1 3 322.453 0.354 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCCNC1=O ZINC001689965512 1177129944 /nfs/dbraw/zinc/12/99/44/1177129944.db2.gz VXACVTAUNQTWSU-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1)C(N)=O ZINC001698734763 1177622166 /nfs/dbraw/zinc/62/21/66/1177622166.db2.gz FYUVVIXOWCFBHL-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO COc1nccc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001699160575 1177901147 /nfs/dbraw/zinc/90/11/47/1177901147.db2.gz ACPITOCOHLLWAY-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001699160575 1177901151 /nfs/dbraw/zinc/90/11/51/1177901151.db2.gz ACPITOCOHLLWAY-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@H](C)NC(=O)Cc2nc[nH]c2C)n1 ZINC001699430231 1178134240 /nfs/dbraw/zinc/13/42/40/1178134240.db2.gz JVEJLASLVDQXTP-LBPRGKRZSA-N 1 3 318.425 0.868 20 0 DCADHO CN(CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001700081098 1178472133 /nfs/dbraw/zinc/47/21/33/1178472133.db2.gz XCJUIJBHJVOMGP-ZDUSSCGKSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CCCN2C)CC[N@@H+]1C ZINC001704998613 1180215162 /nfs/dbraw/zinc/21/51/62/1180215162.db2.gz RCYVXVYUBDICHZ-RUFGBCQQSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]2CCCN2C)CC[N@H+]1C ZINC001704998613 1180215167 /nfs/dbraw/zinc/21/51/67/1180215167.db2.gz RCYVXVYUBDICHZ-RUFGBCQQSA-N 1 3 322.453 0.209 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C(C)C)[C@H]1CCCNC1=O ZINC001713030677 1180637974 /nfs/dbraw/zinc/63/79/74/1180637974.db2.gz GITSWOCYYWQLQA-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C(C)C)[C@H]1CCCNC1=O ZINC001713030677 1180637978 /nfs/dbraw/zinc/63/79/78/1180637978.db2.gz GITSWOCYYWQLQA-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCO ZINC001713334534 1180771958 /nfs/dbraw/zinc/77/19/58/1180771958.db2.gz BMJOYHFQNGNPLT-SWLSCSKDSA-N 1 3 303.422 0.676 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713654365 1180996411 /nfs/dbraw/zinc/99/64/11/1180996411.db2.gz BKFUGMZXVDNDDM-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713654365 1180996417 /nfs/dbraw/zinc/99/64/17/1180996417.db2.gz BKFUGMZXVDNDDM-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO Cn1cc(CCN2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001713835169 1181106507 /nfs/dbraw/zinc/10/65/07/1181106507.db2.gz IUIKEOJILMMGAO-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CCOCCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714607103 1181436010 /nfs/dbraw/zinc/43/60/10/1181436010.db2.gz LUALNVUKJIKGNG-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCc1ccnn1C ZINC001715235086 1181726199 /nfs/dbraw/zinc/72/61/99/1181726199.db2.gz WKHOIDCWTFOQLE-CQSZACIVSA-N 1 3 321.469 0.789 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001715736589 1181966301 /nfs/dbraw/zinc/96/63/01/1181966301.db2.gz QSEDYAGUPIWNQX-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCC(=O)NC2CC2)CC[N@H+]1C ZINC001715736589 1181966308 /nfs/dbraw/zinc/96/63/08/1181966308.db2.gz QSEDYAGUPIWNQX-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1noc(CCC[NH2+]C/C=C/CNC(=O)[C@@H]2CCCN2C)n1 ZINC001715797409 1182007658 /nfs/dbraw/zinc/00/76/58/1182007658.db2.gz FZIUITADJHVGOR-XGACYXMMSA-N 1 3 321.425 0.667 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001715798083 1182007915 /nfs/dbraw/zinc/00/79/15/1182007915.db2.gz JEPVKTKRJNCPCN-JZIMQPMSSA-N 1 3 318.421 0.242 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC1CCOCC1 ZINC001715897674 1182085725 /nfs/dbraw/zinc/08/57/25/1182085725.db2.gz JEHOTYGGYPLRAV-IHWYPQMZSA-N 1 3 306.410 0.949 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716231530 1182267560 /nfs/dbraw/zinc/26/75/60/1182267560.db2.gz SNIFUCUFZFCNES-UHFFFAOYSA-N 1 3 312.458 0.422 20 0 DCADHO C[C@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)[NH+]1CCCCCC1 ZINC001716350357 1182351702 /nfs/dbraw/zinc/35/17/02/1182351702.db2.gz FZCZXQBNSRVBRR-MEWZEZIVSA-N 1 3 310.442 0.387 20 0 DCADHO C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C(C)(C)N1CCCCC1 ZINC001716437102 1182389589 /nfs/dbraw/zinc/38/95/89/1182389589.db2.gz UNSHXTXJHAIYGM-AWEZNQCLSA-N 1 3 322.457 0.637 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001716436813 1182390285 /nfs/dbraw/zinc/39/02/85/1182390285.db2.gz KPGOTJRSFHBTJV-KBPBESRZSA-N 1 3 308.430 0.245 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001716774416 1182520974 /nfs/dbraw/zinc/52/09/74/1182520974.db2.gz MTICKGYDQGKESO-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001723205646 1184275469 /nfs/dbraw/zinc/27/54/69/1184275469.db2.gz ZYTLUEGCXYEUJS-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]CCN(CCO)C(=O)Cc2c[nH]cn2)CCO1 ZINC001724682732 1184518488 /nfs/dbraw/zinc/51/84/88/1184518488.db2.gz ZYTIROSQIZXQTR-KBPBESRZSA-N 1 3 324.425 0.178 20 0 DCADHO O=C(N1CCO[C@@H](CNC/C=C/Cl)C1)C12CC[NH+](CC1)C2 ZINC001724820758 1184573999 /nfs/dbraw/zinc/57/39/99/1184573999.db2.gz DDBLKGURFRXINM-HJFNVNOESA-N 1 3 313.829 0.652 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001753252414 1185186563 /nfs/dbraw/zinc/18/65/63/1185186563.db2.gz XMTSGNPYXNVXHF-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001753252414 1185186568 /nfs/dbraw/zinc/18/65/68/1185186568.db2.gz XMTSGNPYXNVXHF-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001731493310 1185358235 /nfs/dbraw/zinc/35/82/35/1185358235.db2.gz QDJGSXXNKUTEML-NMWPEEMBSA-N 1 3 313.442 0.105 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001731654441 1185431122 /nfs/dbraw/zinc/43/11/22/1185431122.db2.gz RPVWZYVRZTZPIQ-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)COC1CC[NH+](C)CC1 ZINC001731967665 1185613721 /nfs/dbraw/zinc/61/37/21/1185613721.db2.gz BUZMWHCSGFQREY-UHFFFAOYSA-N 1 3 323.441 0.079 20 0 DCADHO C[C@H](CC[NH2+]CCn1cncn1)NC(=O)C1(N(C)C)CCC1 ZINC001732703183 1185928270 /nfs/dbraw/zinc/92/82/70/1185928270.db2.gz UXOJGFSINPAKBO-CYBMUJFWSA-N 1 3 308.430 0.247 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001732807377 1185977179 /nfs/dbraw/zinc/97/71/79/1185977179.db2.gz NFGDSOKAVFSMNI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001733105546 1186141721 /nfs/dbraw/zinc/14/17/21/1186141721.db2.gz BUQXOVAHIJWYEE-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001736749460 1187084534 /nfs/dbraw/zinc/08/45/34/1187084534.db2.gz PYXGSLKNEHISAL-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001736749460 1187084543 /nfs/dbraw/zinc/08/45/43/1187084543.db2.gz PYXGSLKNEHISAL-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001738473228 1187564015 /nfs/dbraw/zinc/56/40/15/1187564015.db2.gz HXAPBPVBWRVRGG-NNTXTVRGSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CCNCc1cccnc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753189639 1188528387 /nfs/dbraw/zinc/52/83/87/1188528387.db2.gz OSKVJJZDYNVPSE-MRXNPFEDSA-N 1 3 302.422 0.971 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)CC[NH+]1CCCCC1 ZINC001753265826 1188553743 /nfs/dbraw/zinc/55/37/43/1188553743.db2.gz PZZKTHCQJKQSMA-UHFFFAOYSA-N 1 3 307.442 0.844 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CC(N)=O)C2)CC1 ZINC001753560644 1188617675 /nfs/dbraw/zinc/61/76/75/1188617675.db2.gz ZMCZDWMLMNKLJW-OAHLLOKOSA-N 1 3 324.469 0.422 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753965800 1188699271 /nfs/dbraw/zinc/69/92/71/1188699271.db2.gz IUCZGVGPAWCQRX-FZMZJTMJSA-N 1 3 323.466 0.864 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001754045903 1188721139 /nfs/dbraw/zinc/72/11/39/1188721139.db2.gz GSDJIMCHRBDOMY-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001754045903 1188721141 /nfs/dbraw/zinc/72/11/41/1188721141.db2.gz GSDJIMCHRBDOMY-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001754129784 1188752508 /nfs/dbraw/zinc/75/25/08/1188752508.db2.gz PZUSNGKIEQVUER-MFHOCJEASA-N 1 3 324.469 0.600 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001754129784 1188752510 /nfs/dbraw/zinc/75/25/10/1188752510.db2.gz PZUSNGKIEQVUER-MFHOCJEASA-N 1 3 324.469 0.600 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCCO ZINC001754350786 1188827435 /nfs/dbraw/zinc/82/74/35/1188827435.db2.gz FQTKYDVMHREULB-KGLIPLIRSA-N 1 3 308.426 0.908 20 0 DCADHO CN(CCC[NH2+]Cc1ccnn1C)C(=O)CN(C)C1CCC1 ZINC001754376046 1188836933 /nfs/dbraw/zinc/83/69/33/1188836933.db2.gz YBOKNUGTTSBPNN-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2cncn2C)C1 ZINC001754395406 1188843700 /nfs/dbraw/zinc/84/37/00/1188843700.db2.gz CAKXWYNAWNDCNY-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001758496412 1189908003 /nfs/dbraw/zinc/90/80/03/1189908003.db2.gz BRFKSBJZLDHYEW-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001758496412 1189908004 /nfs/dbraw/zinc/90/80/04/1189908004.db2.gz BRFKSBJZLDHYEW-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN1CC[C@H]1CNC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC001772038661 1190596754 /nfs/dbraw/zinc/59/67/54/1190596754.db2.gz DXTFZTIFXPNJQX-AWEZNQCLSA-N 1 3 302.422 0.872 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc21 ZINC001772260997 1190646775 /nfs/dbraw/zinc/64/67/75/1190646775.db2.gz KXGFVPZULNASTH-RNJOBUHISA-N 1 3 303.410 0.937 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001772260732 1190647038 /nfs/dbraw/zinc/64/70/38/1190647038.db2.gz UWILBGIHYZWWSU-XIRDDKMYSA-N 1 3 319.449 0.902 20 0 DCADHO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCNC[C@H]1CO ZINC001772263907 1190647433 /nfs/dbraw/zinc/64/74/33/1190647433.db2.gz PRKHCAKLCFSJJY-ZDUSSCGKSA-N 1 3 307.394 0.672 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)N(C)CCCN1CCN(C)CC1 ZINC001575943561 1164189696 /nfs/dbraw/zinc/18/96/96/1164189696.db2.gz UGKKIZXJKWJFFM-OAHLLOKOSA-N 1 3 313.490 0.783 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](CNCc1c[nH]nn1)C1CC1 ZINC001576517570 1164374992 /nfs/dbraw/zinc/37/49/92/1164374992.db2.gz PICDJWLSVSZITL-AWEZNQCLSA-N 1 3 308.430 0.473 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](CNCc1c[nH]nn1)C1CC1 ZINC001576517570 1164374998 /nfs/dbraw/zinc/37/49/98/1164374998.db2.gz PICDJWLSVSZITL-AWEZNQCLSA-N 1 3 308.430 0.473 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1(C)C ZINC001578090661 1164920069 /nfs/dbraw/zinc/92/00/69/1164920069.db2.gz PEGGEBRLZFSYKF-OMNBBPDLSA-N 1 3 309.454 0.929 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1(C)C ZINC001578090661 1164920079 /nfs/dbraw/zinc/92/00/79/1164920079.db2.gz PEGGEBRLZFSYKF-OMNBBPDLSA-N 1 3 309.454 0.929 20 0 DCADHO CC[C@@H]([NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1)C(N)=O ZINC001100460321 747098573 /nfs/dbraw/zinc/09/85/73/747098573.db2.gz ZYCVYVAMFCYTTH-WXRRBKDZSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)CN(CC)CC)CC1)C(N)=O ZINC001167480576 747276460 /nfs/dbraw/zinc/27/64/60/747276460.db2.gz LXVCEKHSOXXFOC-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CN(CCCN(C)C(=O)CN1CCCC1)C(=O)CC[NH+](C)C ZINC001067465802 747554327 /nfs/dbraw/zinc/55/43/27/747554327.db2.gz MLWBOCVDJFUEFW-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001087392045 747911788 /nfs/dbraw/zinc/91/17/88/747911788.db2.gz BJGAXVRWTVCVGS-HNKHHVNMSA-N 1 3 318.421 0.503 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001087392045 747911794 /nfs/dbraw/zinc/91/17/94/747911794.db2.gz BJGAXVRWTVCVGS-HNKHHVNMSA-N 1 3 318.421 0.503 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001167814725 748368290 /nfs/dbraw/zinc/36/82/90/748368290.db2.gz CFHSHPSOFRDHED-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2c(c1)COC21CNC1 ZINC001167900401 748474142 /nfs/dbraw/zinc/47/41/42/748474142.db2.gz BIKRPSRXNUSQNL-CQSZACIVSA-N 1 3 305.378 0.708 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1CCO ZINC001087757317 749040147 /nfs/dbraw/zinc/04/01/47/749040147.db2.gz OAXCABWNXNADBU-LSDHHAIUSA-N 1 3 323.441 0.020 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088431422 749439801 /nfs/dbraw/zinc/43/98/01/749439801.db2.gz UOCSIFJQWOXEGU-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001168320716 749915808 /nfs/dbraw/zinc/91/58/08/749915808.db2.gz MBQCRLOWLRLRRG-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001168345684 749926545 /nfs/dbraw/zinc/92/65/45/749926545.db2.gz SFKQUPHRZRBXER-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CCCCN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470350 749956892 /nfs/dbraw/zinc/95/68/92/749956892.db2.gz MROAPIVNAKBUEU-CABCVRRESA-N 1 3 323.441 0.020 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046010959 750824465 /nfs/dbraw/zinc/82/44/65/750824465.db2.gz XOVYMAKAJGXMTJ-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046010959 750824474 /nfs/dbraw/zinc/82/44/74/750824474.db2.gz XOVYMAKAJGXMTJ-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106256209 751068244 /nfs/dbraw/zinc/06/82/44/751068244.db2.gz ZUIXWYNDQWASOS-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1cnns1 ZINC001106626607 751208856 /nfs/dbraw/zinc/20/88/56/751208856.db2.gz IWVNTDCHJKZOQF-VXGBXAGGSA-N 1 3 311.455 0.674 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668235 751221992 /nfs/dbraw/zinc/22/19/92/751221992.db2.gz IWEGITQVJCAPCQ-RBSFLKMASA-N 1 3 311.470 0.783 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1 ZINC001106778556 751275629 /nfs/dbraw/zinc/27/56/29/751275629.db2.gz LXTZBVZOUHLNMB-HZPDHXFCSA-N 1 3 321.469 0.909 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001168595665 752670714 /nfs/dbraw/zinc/67/07/14/752670714.db2.gz NVZNQFISAZDOSP-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748872 752858098 /nfs/dbraw/zinc/85/80/98/752858098.db2.gz GCSQLAXNGWJIFB-QWHCGFSZSA-N 1 3 319.409 0.154 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2ccn(C)n2)CCN1C(=O)CN1CCCC1 ZINC001044857791 752905004 /nfs/dbraw/zinc/90/50/04/752905004.db2.gz NVKDOZCBLSXECW-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCCC1 ZINC001044858556 752906314 /nfs/dbraw/zinc/90/63/14/752906314.db2.gz TXEUWWKLHNXAKJ-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978505 752938714 /nfs/dbraw/zinc/93/87/14/752938714.db2.gz FRIUBKGZAOJDGE-HZPDHXFCSA-N 1 3 309.454 0.680 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCN(C)C1=O)C1CCC1 ZINC001045070502 753032262 /nfs/dbraw/zinc/03/22/62/753032262.db2.gz IJEJGYKIYSDNDH-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)C1 ZINC001045640392 753275855 /nfs/dbraw/zinc/27/58/55/753275855.db2.gz PIVWFMWHNZCSIL-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)C1 ZINC001045640392 753275858 /nfs/dbraw/zinc/27/58/58/753275858.db2.gz PIVWFMWHNZCSIL-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001114997004 753707328 /nfs/dbraw/zinc/70/73/28/753707328.db2.gz HLBQHEVNCRBLLB-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001114997004 753707336 /nfs/dbraw/zinc/70/73/36/753707336.db2.gz HLBQHEVNCRBLLB-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO COC(=O)c1cc(Cl)nnc1NC(=N)N1CC[NH+](C)CC1 ZINC001168737176 753996080 /nfs/dbraw/zinc/99/60/80/753996080.db2.gz XANQPLHTJDIRLE-UHFFFAOYSA-N 1 3 312.761 0.511 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1CCC[N@@H+]1CCC)C(N)=O ZINC001128786116 754288595 /nfs/dbraw/zinc/28/85/95/754288595.db2.gz RPRZYBQAGPRDHU-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1CCC[N@H+]1CCC)C(N)=O ZINC001128786116 754288598 /nfs/dbraw/zinc/28/85/98/754288598.db2.gz RPRZYBQAGPRDHU-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC(C)C ZINC001128787320 754290062 /nfs/dbraw/zinc/29/00/62/754290062.db2.gz ZKBKIAVZJHNJJZ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC(C)C ZINC001128787320 754290067 /nfs/dbraw/zinc/29/00/67/754290067.db2.gz ZKBKIAVZJHNJJZ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO [NH3+]Cc1nc(=O)[n-]n1-c1nc(C2CC[NH2+]CC2)cc2nc[nH]c21 ZINC001168756796 754449857 /nfs/dbraw/zinc/44/98/57/754449857.db2.gz SAHPJHLZSZSVTN-UHFFFAOYSA-N 1 3 314.353 0.170 20 0 DCADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986917 754564754 /nfs/dbraw/zinc/56/47/54/754564754.db2.gz GKJGRGGEYWGFJT-TZMCWYRMSA-N 1 3 316.409 0.713 20 0 DCADHO COC[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356275 754741614 /nfs/dbraw/zinc/74/16/14/754741614.db2.gz NTAOHNAMKYSXLW-XGUBFFRZSA-N 1 3 307.438 0.839 20 0 DCADHO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048589487 754815826 /nfs/dbraw/zinc/81/58/26/754815826.db2.gz JWPJFBOTMWIORS-AHDPXTMNSA-N 1 3 322.453 0.171 20 0 DCADHO C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001048589487 754815829 /nfs/dbraw/zinc/81/58/29/754815829.db2.gz JWPJFBOTMWIORS-AHDPXTMNSA-N 1 3 322.453 0.171 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001048875541 754991125 /nfs/dbraw/zinc/99/11/25/754991125.db2.gz BQISDNDHLLEDLY-BARDWOONSA-N 1 3 324.469 0.227 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001168763068 755091628 /nfs/dbraw/zinc/09/16/28/755091628.db2.gz JEMMJRIYRRXPDZ-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001049056827 755095469 /nfs/dbraw/zinc/09/54/69/755095469.db2.gz AJUQLJKZAKNVMM-VQHPVUNQSA-N 1 3 321.465 0.897 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001049056827 755095474 /nfs/dbraw/zinc/09/54/74/755095474.db2.gz AJUQLJKZAKNVMM-VQHPVUNQSA-N 1 3 321.465 0.897 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001049067243 755100673 /nfs/dbraw/zinc/10/06/73/755100673.db2.gz TUFQAVRNKBEISX-JONQDZQNSA-N 1 3 309.454 0.753 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001049067243 755100677 /nfs/dbraw/zinc/10/06/77/755100677.db2.gz TUFQAVRNKBEISX-JONQDZQNSA-N 1 3 309.454 0.753 20 0 DCADHO CN(C)[C@H](C(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1)C1CC1 ZINC001063365039 755162878 /nfs/dbraw/zinc/16/28/78/755162878.db2.gz KWEXQUJRXFCVEX-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049612920 755335374 /nfs/dbraw/zinc/33/53/74/755335374.db2.gz VHGUNPPSRRSUAG-YLADIXGZSA-N 1 3 319.449 0.935 20 0 DCADHO CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001049612920 755335381 /nfs/dbraw/zinc/33/53/81/755335381.db2.gz VHGUNPPSRRSUAG-YLADIXGZSA-N 1 3 319.449 0.935 20 0 DCADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079806896 756015070 /nfs/dbraw/zinc/01/50/70/756015070.db2.gz BHIOCPWIEWOGJG-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079806896 756015073 /nfs/dbraw/zinc/01/50/73/756015073.db2.gz BHIOCPWIEWOGJG-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001080444215 756215899 /nfs/dbraw/zinc/21/58/99/756215899.db2.gz GKKURCKHNWKDLE-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935568 756391971 /nfs/dbraw/zinc/39/19/71/756391971.db2.gz ZKRVAAOYYOBTOQ-QLFBSQMISA-N 1 3 305.426 0.271 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935568 756391974 /nfs/dbraw/zinc/39/19/74/756391974.db2.gz ZKRVAAOYYOBTOQ-QLFBSQMISA-N 1 3 305.426 0.271 20 0 DCADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935362 756392364 /nfs/dbraw/zinc/39/23/64/756392364.db2.gz RILAGGGFKKYBSH-IJEWVQPXSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935362 756392370 /nfs/dbraw/zinc/39/23/70/756392370.db2.gz RILAGGGFKKYBSH-IJEWVQPXSA-N 1 3 319.453 0.351 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1)N(C)C ZINC001054192284 756402760 /nfs/dbraw/zinc/40/27/60/756402760.db2.gz TXULXKAZGGUEBQ-WBVHZDCISA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1)N(C)C ZINC001054192284 756402763 /nfs/dbraw/zinc/40/27/63/756402763.db2.gz TXULXKAZGGUEBQ-WBVHZDCISA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001054298036 756428013 /nfs/dbraw/zinc/42/80/13/756428013.db2.gz ZJHZQQJRJYWMGD-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001054298427 756428085 /nfs/dbraw/zinc/42/80/85/756428085.db2.gz OKCAQAAJWUOVFG-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1NCCF ZINC001054656299 756601202 /nfs/dbraw/zinc/60/12/02/756601202.db2.gz OFFUMSMBHQFSOK-GXTWGEPZSA-N 1 3 311.405 0.464 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC001054739105 756622804 /nfs/dbraw/zinc/62/28/04/756622804.db2.gz RYALAFKQORXLIJ-BBRMVZONSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082740699 757251574 /nfs/dbraw/zinc/25/15/74/757251574.db2.gz CRGLKHCQJFCOFB-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082741176 757252079 /nfs/dbraw/zinc/25/20/79/757252079.db2.gz RLEGLXYSBVIILW-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082783550 757264252 /nfs/dbraw/zinc/26/42/52/757264252.db2.gz ALJKZVGLCDOZNR-YRGRVCCFSA-N 1 3 310.442 0.029 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001050233009 757521701 /nfs/dbraw/zinc/52/17/01/757521701.db2.gz AAVXLHWHMFXYGG-HUUCEWRRSA-N 1 3 322.453 0.189 20 0 DCADHO CN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050235797 757525024 /nfs/dbraw/zinc/52/50/24/757525024.db2.gz MDSFSHAVMCXZEB-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1ccccc1CN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986492 759116550 /nfs/dbraw/zinc/11/65/50/759116550.db2.gz LPDWYHQYJXDAOK-DLBZAZTESA-N 1 3 319.449 0.998 20 0 DCADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732149 759246012 /nfs/dbraw/zinc/24/60/12/759246012.db2.gz SVAMSYSZHKIJHC-LPMVOBIJSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732149 759246019 /nfs/dbraw/zinc/24/60/19/759246019.db2.gz SVAMSYSZHKIJHC-LPMVOBIJSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@@H]1CC[N@@H+]1CC1CC1)C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001085732149 759246023 /nfs/dbraw/zinc/24/60/23/759246023.db2.gz SVAMSYSZHKIJHC-LPMVOBIJSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@@H]1CC[N@H+]1CC1CC1)C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001085732149 759246030 /nfs/dbraw/zinc/24/60/30/759246030.db2.gz SVAMSYSZHKIJHC-LPMVOBIJSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001147824696 767853567 /nfs/dbraw/zinc/85/35/67/767853567.db2.gz MHTWMDYUNSGYGD-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147899965 767877426 /nfs/dbraw/zinc/87/74/26/767877426.db2.gz FASPPSQCWUNJMM-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147899965 767877433 /nfs/dbraw/zinc/87/74/33/767877433.db2.gz FASPPSQCWUNJMM-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900914 767880534 /nfs/dbraw/zinc/88/05/34/767880534.db2.gz ZAEFPNGCFVMDMT-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900914 767880541 /nfs/dbraw/zinc/88/05/41/767880541.db2.gz ZAEFPNGCFVMDMT-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900916 767880779 /nfs/dbraw/zinc/88/07/79/767880779.db2.gz ZAEFPNGCFVMDMT-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900916 767880788 /nfs/dbraw/zinc/88/07/88/767880788.db2.gz ZAEFPNGCFVMDMT-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1)C(N)=O ZINC001086084728 759694537 /nfs/dbraw/zinc/69/45/37/759694537.db2.gz CZCYUCHNPSUQRK-LJISPDSOSA-N 1 3 324.469 0.608 20 0 DCADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(C)(C)C ZINC001148000635 767894823 /nfs/dbraw/zinc/89/48/23/767894823.db2.gz SSLOZJMXDCJDIB-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001086272047 759932722 /nfs/dbraw/zinc/93/27/22/759932722.db2.gz SPFXNGDKXIXTJB-KFWWJZLASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001086272047 759932727 /nfs/dbraw/zinc/93/27/27/759932727.db2.gz SPFXNGDKXIXTJB-KFWWJZLASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086272238 759934081 /nfs/dbraw/zinc/93/40/81/759934081.db2.gz YYWSRRPPISMDMP-KCQAQPDRSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086272238 759934083 /nfs/dbraw/zinc/93/40/83/759934083.db2.gz YYWSRRPPISMDMP-KCQAQPDRSA-N 1 3 306.410 0.919 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155822228 760181376 /nfs/dbraw/zinc/18/13/76/760181376.db2.gz LIAQSUPMKNULOJ-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001100124578 760441565 /nfs/dbraw/zinc/44/15/65/760441565.db2.gz KKZIRUGJGCVYOR-HUUCEWRRSA-N 1 3 315.433 0.773 20 0 DCADHO CCOC(=O)[C@H]1CC[C@@H](N2CCN(CCCC[NH3+])CC2)CO1 ZINC001169373067 760658055 /nfs/dbraw/zinc/65/80/55/760658055.db2.gz NWVYYWSOUNAUMD-HUUCEWRRSA-N 1 3 313.442 0.454 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC001148469865 767992785 /nfs/dbraw/zinc/99/27/85/767992785.db2.gz YFGATWXQTBZCRI-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCOC1)C2 ZINC001148469865 767992789 /nfs/dbraw/zinc/99/27/89/767992789.db2.gz YFGATWXQTBZCRI-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)C(=O)NC1CCCC1 ZINC001129363495 761048189 /nfs/dbraw/zinc/04/81/89/761048189.db2.gz HVHNCXSLMKZAKF-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070269054 761158529 /nfs/dbraw/zinc/15/85/29/761158529.db2.gz ZQBRBKWASOVXPI-HZSPNIEDSA-N 1 3 308.430 0.226 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001148643164 768023093 /nfs/dbraw/zinc/02/30/93/768023093.db2.gz SOMWDNWAKJZKRV-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001070629921 761361465 /nfs/dbraw/zinc/36/14/65/761361465.db2.gz WVALPKNFAULMBS-RBSFLKMASA-N 1 3 319.453 0.807 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001109417592 761404763 /nfs/dbraw/zinc/40/47/63/761404763.db2.gz HGBBZNGLOMHXIE-WCVJEAGWSA-N 1 3 309.454 0.965 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001109417592 761404764 /nfs/dbraw/zinc/40/47/64/761404764.db2.gz HGBBZNGLOMHXIE-WCVJEAGWSA-N 1 3 309.454 0.965 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131595 761515202 /nfs/dbraw/zinc/51/52/02/761515202.db2.gz GFCIIFPLSDSCDT-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131595 761515206 /nfs/dbraw/zinc/51/52/06/761515206.db2.gz GFCIIFPLSDSCDT-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO O=C(CN1CCCC1)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001099343645 762867430 /nfs/dbraw/zinc/86/74/30/762867430.db2.gz QOYWICVYGWPICW-GHMZBOCLSA-N 1 3 309.332 0.053 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC001238879038 770139664 /nfs/dbraw/zinc/13/96/64/770139664.db2.gz NJRGAORXRHPURI-UHFFFAOYSA-N 1 3 305.831 0.947 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC001129436949 762943605 /nfs/dbraw/zinc/94/36/05/762943605.db2.gz TYHIAQONXUUQOW-IRXDYDNUSA-N 1 3 319.449 0.636 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001129846229 763023359 /nfs/dbraw/zinc/02/33/59/763023359.db2.gz OCHDKADRFZHCDY-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001129846229 763023366 /nfs/dbraw/zinc/02/33/66/763023366.db2.gz OCHDKADRFZHCDY-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCOC[C@H]1CCCO1)N(C)C ZINC001129949645 763055440 /nfs/dbraw/zinc/05/54/40/763055440.db2.gz HDSLDLYUDYDORO-CABCVRRESA-N 1 3 315.458 0.474 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1)N(C)C ZINC001129947103 763065550 /nfs/dbraw/zinc/06/55/50/763065550.db2.gz JYWJIKYCSWPDMG-INIZCTEOSA-N 1 3 321.469 0.940 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cnn(C)c1 ZINC001086999328 768113357 /nfs/dbraw/zinc/11/33/57/768113357.db2.gz AWIZHBCTTGAVRF-LSDHHAIUSA-N 1 3 316.409 0.680 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086996759 768111784 /nfs/dbraw/zinc/11/17/84/768111784.db2.gz TYTQZYKTVAEEIZ-CWRNSKLLSA-N 1 3 319.453 0.808 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCc2ccccc2)C[C@H]1O ZINC001099985576 763188870 /nfs/dbraw/zinc/18/88/70/763188870.db2.gz DUNZXHFHMYWXHP-DLBZAZTESA-N 1 3 319.449 0.732 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001130418903 763304533 /nfs/dbraw/zinc/30/45/33/763304533.db2.gz BSKHZEFQFRYEHI-UHFFFAOYSA-N 1 3 308.426 0.321 20 0 DCADHO CC[C@@H](NCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001130622371 763404321 /nfs/dbraw/zinc/40/43/21/763404321.db2.gz FTSPUGBXPVDCOK-CYBMUJFWSA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@@H](NCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001130622371 763404328 /nfs/dbraw/zinc/40/43/28/763404328.db2.gz FTSPUGBXPVDCOK-CYBMUJFWSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001130711019 763448578 /nfs/dbraw/zinc/44/85/78/763448578.db2.gz LMPQCNPWVWNFGK-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001130711019 763448581 /nfs/dbraw/zinc/44/85/81/763448581.db2.gz LMPQCNPWVWNFGK-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N2CCC3(CC([NH3+])C3)CC2)C1=O ZINC001158083132 763488349 /nfs/dbraw/zinc/48/83/49/763488349.db2.gz VQKZFGNAYXQKSB-ZDUSSCGKSA-N 1 3 308.426 0.056 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001100442525 763582217 /nfs/dbraw/zinc/58/22/17/763582217.db2.gz KYRQXUNUIGDZGZ-SSDMNJCBSA-N 1 3 322.457 0.623 20 0 DCADHO CC[C@H]([NH2+]C1CC(CNC(=O)C(C)(C)N(C)CC)C1)C(N)=O ZINC001100460320 763590211 /nfs/dbraw/zinc/59/02/11/763590211.db2.gz ZYCVYVAMFCYTTH-BPCQOVAHSA-N 1 3 312.458 0.465 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520444 763844808 /nfs/dbraw/zinc/84/48/08/763844808.db2.gz YCZDPGKPXPZILV-CKDBGZEDSA-N 1 3 316.405 0.151 20 0 DCADHO O=C(NCCNCc1cccnc1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520444 763844817 /nfs/dbraw/zinc/84/48/17/763844817.db2.gz YCZDPGKPXPZILV-CKDBGZEDSA-N 1 3 316.405 0.151 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC001100900283 763847473 /nfs/dbraw/zinc/84/74/73/763847473.db2.gz ZACGSBASSUCBJF-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](Nc1ccc2c([C@H]3CCC[NH2+]3)nnn2c1)[C@@H]1CNCCO1 ZINC001170569751 763865120 /nfs/dbraw/zinc/86/51/20/763865120.db2.gz TWOQTNMWVACTCZ-LNSITVRQSA-N 1 3 316.409 0.943 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799590 764035728 /nfs/dbraw/zinc/03/57/28/764035728.db2.gz SJOAIJSMZGASQN-CYBMUJFWSA-N 1 3 320.437 0.245 20 0 DCADHO CCCC[C@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001132287283 764364462 /nfs/dbraw/zinc/36/44/62/764364462.db2.gz VOELJCULGHUMLH-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CN1CCO ZINC001132405874 764442919 /nfs/dbraw/zinc/44/29/19/764442919.db2.gz ARBSGXLQGVQMOO-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102525778 764680366 /nfs/dbraw/zinc/68/03/66/764680366.db2.gz UUVIGQRYJMWYPK-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001102525778 764680367 /nfs/dbraw/zinc/68/03/67/764680367.db2.gz UUVIGQRYJMWYPK-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCO ZINC001132892747 764711798 /nfs/dbraw/zinc/71/17/98/764711798.db2.gz ISIPEENELMHJFA-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001132893479 764714368 /nfs/dbraw/zinc/71/43/68/764714368.db2.gz SJXNBOITCMQMDL-XQQFMLRXSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001132893479 764714378 /nfs/dbraw/zinc/71/43/78/764714378.db2.gz SJXNBOITCMQMDL-XQQFMLRXSA-N 1 3 310.442 0.090 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001132993453 764781933 /nfs/dbraw/zinc/78/19/33/764781933.db2.gz VDILRALKDJPMBG-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051941 764804272 /nfs/dbraw/zinc/80/42/72/764804272.db2.gz VYTRXKUHWQXPFV-ZDUSSCGKSA-N 1 3 300.447 0.289 20 0 DCADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)N1CCCCC1 ZINC001133051964 764804328 /nfs/dbraw/zinc/80/43/28/764804328.db2.gz WPWFCVLGNKANSP-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1nncn1C ZINC001133090292 764821389 /nfs/dbraw/zinc/82/13/89/764821389.db2.gz FVFYSWSFRNYVPJ-KGLIPLIRSA-N 1 3 322.457 0.341 20 0 DCADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC1CCCCC1 ZINC001133290773 764908499 /nfs/dbraw/zinc/90/84/99/764908499.db2.gz BDBJMRVMCZNRSU-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294713 764911039 /nfs/dbraw/zinc/91/10/39/764911039.db2.gz QIMDOCISINVIPH-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415607 764956181 /nfs/dbraw/zinc/95/61/81/764956181.db2.gz GYGZRHLVSKCDJG-CQSZACIVSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133433839 764967007 /nfs/dbraw/zinc/96/70/07/764967007.db2.gz BYSQQKREDSTYSV-LSDHHAIUSA-N 1 3 317.474 0.312 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)N[C@@H](C)C1CC1)[NH+](C)C ZINC001133434379 764968427 /nfs/dbraw/zinc/96/84/27/764968427.db2.gz ONMUVSNDFFDUHH-SWLSCSKDSA-N 1 3 312.458 0.193 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1C ZINC001103677014 765104406 /nfs/dbraw/zinc/10/44/06/765104406.db2.gz FTWADZYSRAOAOQ-YRGRVCCFSA-N 1 3 308.426 0.716 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001103677014 765104407 /nfs/dbraw/zinc/10/44/07/765104407.db2.gz FTWADZYSRAOAOQ-YRGRVCCFSA-N 1 3 308.426 0.716 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCC[C@H]1C ZINC001133830735 765161201 /nfs/dbraw/zinc/16/12/01/765161201.db2.gz CNLFYVSASNOEKQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCC[C@H]1C ZINC001133830735 765161207 /nfs/dbraw/zinc/16/12/07/765161207.db2.gz CNLFYVSASNOEKQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133831378 765162623 /nfs/dbraw/zinc/16/26/23/765162623.db2.gz NAIDCYYOJQPOHT-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133831378 765162625 /nfs/dbraw/zinc/16/26/25/765162625.db2.gz NAIDCYYOJQPOHT-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001133896315 765214809 /nfs/dbraw/zinc/21/48/09/765214809.db2.gz IJXHXGYSGGADFX-ZDUSSCGKSA-N 1 3 320.441 0.203 20 0 DCADHO CCN1CC[C@H]([NH2+]CCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001133896513 765215594 /nfs/dbraw/zinc/21/55/94/765215594.db2.gz LVKRBYRZWAMDMP-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)c1ccccc1F)N(C)C ZINC001133968510 765261668 /nfs/dbraw/zinc/26/16/68/765261668.db2.gz XJQWXYAVSMEOJN-GJZGRUSLSA-N 1 3 311.401 0.905 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1)N(C)C ZINC001133982522 765268866 /nfs/dbraw/zinc/26/88/66/765268866.db2.gz DORZPAZEBZHKFU-AWEZNQCLSA-N 1 3 307.442 0.694 20 0 DCADHO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCCC1)c1nccn12 ZINC001092413477 768302155 /nfs/dbraw/zinc/30/21/55/768302155.db2.gz UOHDQBWRPGBNAC-CQSZACIVSA-N 1 3 317.437 0.959 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001134584173 765581280 /nfs/dbraw/zinc/58/12/80/765581280.db2.gz RHXFNQGCJZJXKO-KGLIPLIRSA-N 1 3 322.457 0.635 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001134607286 765600195 /nfs/dbraw/zinc/60/01/95/765600195.db2.gz GKKGURXYKSMGRS-OLZOCXBDSA-N 1 3 322.457 0.672 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNCc1cncn1C ZINC001134759258 765658222 /nfs/dbraw/zinc/65/82/22/765658222.db2.gz JWLUKCPGQMGCFR-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNCc1cncn1C ZINC001134759258 765658226 /nfs/dbraw/zinc/65/82/26/765658226.db2.gz JWLUKCPGQMGCFR-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](C(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+]1CCCCCC1 ZINC001134756253 765667523 /nfs/dbraw/zinc/66/75/23/765667523.db2.gz BKCHTHOYHKMTOR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135478208 765949943 /nfs/dbraw/zinc/94/99/43/765949943.db2.gz WRJHCPBKFFLDGP-CQSZACIVSA-N 1 3 300.447 0.195 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001135511356 765964505 /nfs/dbraw/zinc/96/45/05/765964505.db2.gz OGNGMJPKARWILT-INIZCTEOSA-N 1 3 307.438 0.638 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001135510914 765964516 /nfs/dbraw/zinc/96/45/16/765964516.db2.gz IHVBYSFLRXPIHU-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001135743090 766085133 /nfs/dbraw/zinc/08/51/33/766085133.db2.gz DUCRLYVYHVVEDY-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001135977170 766197718 /nfs/dbraw/zinc/19/77/18/766197718.db2.gz QGPGTIVMIIRNQK-ZIAGYGMSSA-N 1 3 314.474 0.726 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135976463 766197815 /nfs/dbraw/zinc/19/78/15/766197815.db2.gz JXVKMOPTYHFLJP-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)COC21CNC1 ZINC001170996334 766387921 /nfs/dbraw/zinc/38/79/21/766387921.db2.gz OOGQKMDWHGHBRW-UHFFFAOYSA-N 1 3 305.378 0.344 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001119353345 766641899 /nfs/dbraw/zinc/64/18/99/766641899.db2.gz ZOJINVNWKIEOFH-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCCC1 ZINC001120207931 766938429 /nfs/dbraw/zinc/93/84/29/766938429.db2.gz MTSYTPRJQBMQDP-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120440462 767015875 /nfs/dbraw/zinc/01/58/75/767015875.db2.gz NJRPSHNQFZIODT-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120440462 767015885 /nfs/dbraw/zinc/01/58/85/767015885.db2.gz NJRPSHNQFZIODT-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1C ZINC001171216339 767017850 /nfs/dbraw/zinc/01/78/50/767017850.db2.gz GQFXCDVXXSHJDC-AWEZNQCLSA-N 1 3 307.442 0.666 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001171216339 767017861 /nfs/dbraw/zinc/01/78/61/767017861.db2.gz GQFXCDVXXSHJDC-AWEZNQCLSA-N 1 3 307.442 0.666 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171247230 767238520 /nfs/dbraw/zinc/23/85/20/767238520.db2.gz JUIODCKLQMJVSJ-SWLSCSKDSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccnc(OC)n1)N(C)C ZINC001160883475 767373956 /nfs/dbraw/zinc/37/39/56/767373956.db2.gz NUGWOLPNCMYGNC-CYBMUJFWSA-N 1 3 309.414 0.421 20 0 DCADHO Cc1nc(C)c(CNCCCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001171293356 767622016 /nfs/dbraw/zinc/62/20/16/767622016.db2.gz IECASTXLRYKNHN-UHFFFAOYSA-N 1 3 306.410 0.983 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001147449093 767756562 /nfs/dbraw/zinc/75/65/62/767756562.db2.gz IKTIGWWWBIPCEX-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)CCN2CCN(C)CC2)[C@H](C)C1 ZINC001143238429 768701846 /nfs/dbraw/zinc/70/18/46/768701846.db2.gz UOCSPNIFHNCZKF-CVEARBPZSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)[N@H+]1CC[C@H](NC(=O)CCN2CCN(C)CC2)[C@H](C)C1 ZINC001143238429 768701848 /nfs/dbraw/zinc/70/18/48/768701848.db2.gz UOCSPNIFHNCZKF-CVEARBPZSA-N 1 3 310.486 0.859 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1)N(C)C ZINC001093859312 768753090 /nfs/dbraw/zinc/75/30/90/768753090.db2.gz SZOBRAWUMUPFRS-UMVBOHGHSA-N 1 3 322.457 0.339 20 0 DCADHO CCCCN1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094279084 768945947 /nfs/dbraw/zinc/94/59/47/768945947.db2.gz WUMGTXBHYHJABX-HNNXBMFYSA-N 1 3 320.441 0.645 20 0 DCADHO CCCCN1CC(n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001094279084 768945951 /nfs/dbraw/zinc/94/59/51/768945951.db2.gz WUMGTXBHYHJABX-HNNXBMFYSA-N 1 3 320.441 0.645 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001171770527 769371969 /nfs/dbraw/zinc/37/19/69/769371969.db2.gz REXJVNZPXKYQCV-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001171770526 769373119 /nfs/dbraw/zinc/37/31/19/769373119.db2.gz REXJVNZPXKYQCV-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172166840 769450421 /nfs/dbraw/zinc/45/04/21/769450421.db2.gz RSJJMSMHSNPANL-KGLIPLIRSA-N 1 3 323.437 0.886 20 0 DCADHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172166840 769450428 /nfs/dbraw/zinc/45/04/28/769450428.db2.gz RSJJMSMHSNPANL-KGLIPLIRSA-N 1 3 323.437 0.886 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340357 769530415 /nfs/dbraw/zinc/53/04/15/769530415.db2.gz MTNQZLIRFJLIFS-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001152348577 769532385 /nfs/dbraw/zinc/53/23/85/769532385.db2.gz QDKCOKGWHHPJBX-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446104 769560724 /nfs/dbraw/zinc/56/07/24/769560724.db2.gz UIKJCFSTRGCJFT-CYBMUJFWSA-N 1 3 300.447 0.289 20 0 DCADHO CC[N@@H+]1CC[C@H](n2nc(C(=O)NC(C)C)c3c2CCNC3)C1 ZINC001173363581 769608869 /nfs/dbraw/zinc/60/88/69/769608869.db2.gz PEDNGFVRKGFLNX-LBPRGKRZSA-N 1 3 305.426 0.934 20 0 DCADHO CC[N@H+]1CC[C@H](n2nc(C(=O)NC(C)C)c3c2CCNC3)C1 ZINC001173363581 769608877 /nfs/dbraw/zinc/60/88/77/769608877.db2.gz PEDNGFVRKGFLNX-LBPRGKRZSA-N 1 3 305.426 0.934 20 0 DCADHO C[NH+](C)CCCN1CCN([C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173762844 769715524 /nfs/dbraw/zinc/71/55/24/769715524.db2.gz DNQCWGUWRWNJQB-HOTGVXAUSA-N 1 3 321.473 0.726 20 0 DCADHO Cc1noc(C)c1CN1CCO[C@H]2CN(CCCC[NH3+])C[C@H]21 ZINC001235609576 769907860 /nfs/dbraw/zinc/90/78/60/769907860.db2.gz MFYLQUBYRMCRIN-CVEARBPZSA-N 1 3 308.426 0.915 20 0 DCADHO NC(=O)[C@H]1CN(Cc2cn3c4c2cccc4C[NH2+]CC3)CCN1 ZINC001235762180 769945170 /nfs/dbraw/zinc/94/51/70/769945170.db2.gz WHFMZTBPECOWND-OAHLLOKOSA-N 1 3 313.405 0.004 20 0 DCADHO COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2nc3c(s2)CNCC3)C1 ZINC001235769481 769945878 /nfs/dbraw/zinc/94/58/78/769945878.db2.gz BOFMCHJXQWUOIX-VHSXEESVSA-N 1 3 310.423 0.111 20 0 DCADHO COC(=O)[C@H]1CN(Cc2cc(F)cc(CN(C)C)c2)C[C@@H]1[NH3+] ZINC001236359419 770007957 /nfs/dbraw/zinc/00/79/57/770007957.db2.gz VUVQDKLMNZHEMX-GJZGRUSLSA-N 1 3 309.385 0.819 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176055741 770023946 /nfs/dbraw/zinc/02/39/46/770023946.db2.gz BWVPSFFDJWNCRJ-GFCCVEGCSA-N 1 3 307.398 0.033 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176055741 770023957 /nfs/dbraw/zinc/02/39/57/770023957.db2.gz BWVPSFFDJWNCRJ-GFCCVEGCSA-N 1 3 307.398 0.033 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1ccc3n1CCNC3)CC2 ZINC001237062588 770031660 /nfs/dbraw/zinc/03/16/60/770031660.db2.gz NOHIYLGPVMHECD-WBVHZDCISA-N 1 3 318.421 0.318 20 0 DCADHO Cc1ccc2c(c1)C1(C[C@@H]2NS(=O)(=O)CCN)CC[NH2+]CC1 ZINC001238230684 770107280 /nfs/dbraw/zinc/10/72/80/770107280.db2.gz STDJXZZGYIJGEV-HNNXBMFYSA-N 1 3 323.462 0.939 20 0 DCADHO Cc1ccnc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238243221 770108830 /nfs/dbraw/zinc/10/88/30/770108830.db2.gz SNGBHIZGEPJGIK-CYBMUJFWSA-N 1 3 324.450 0.543 20 0 DCADHO Cc1nnc(CNCCCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001176563323 770126173 /nfs/dbraw/zinc/12/61/73/770126173.db2.gz CKLLSVRVWIDNSY-JSGCOSHPSA-N 1 3 322.457 0.829 20 0 DCADHO Cc1nnc(CNCCCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001176563323 770126177 /nfs/dbraw/zinc/12/61/77/770126177.db2.gz CKLLSVRVWIDNSY-JSGCOSHPSA-N 1 3 322.457 0.829 20 0 DCADHO NCCS(=O)(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001238807516 770129684 /nfs/dbraw/zinc/12/96/84/770129684.db2.gz HPIGYZGNCURLHV-UHFFFAOYSA-N 1 3 303.472 0.767 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001238879094 770140092 /nfs/dbraw/zinc/14/00/92/770140092.db2.gz OSEWDXJJTMWFLX-UHFFFAOYSA-N 1 3 321.393 0.713 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C ZINC001176975055 770266781 /nfs/dbraw/zinc/26/67/81/770266781.db2.gz JGILHVQYRRFZTE-UHFFFAOYSA-N 1 3 314.474 0.585 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001176986351 770274607 /nfs/dbraw/zinc/27/46/07/770274607.db2.gz LRNMIIAALCLBNH-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001176991749 770282751 /nfs/dbraw/zinc/28/27/51/770282751.db2.gz DDWSIVIJCQHMOL-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001176992213 770282974 /nfs/dbraw/zinc/28/29/74/770282974.db2.gz JOFSAKGNVKUJQP-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO COc1cncc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)n1 ZINC001155812904 770627526 /nfs/dbraw/zinc/62/75/26/770627526.db2.gz PINRMNLDFFIPLO-ZDUSSCGKSA-N 1 3 307.398 0.175 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178355934 770729892 /nfs/dbraw/zinc/72/98/92/770729892.db2.gz DJAYUYATOXFYAY-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356782 770731605 /nfs/dbraw/zinc/73/16/05/770731605.db2.gz RLSGWRKFFIBOFK-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001156597614 770867389 /nfs/dbraw/zinc/86/73/89/770867389.db2.gz KCIBXXDBKFHITB-AWEZNQCLSA-N 1 3 315.458 0.428 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001156597614 770867404 /nfs/dbraw/zinc/86/74/04/770867404.db2.gz KCIBXXDBKFHITB-AWEZNQCLSA-N 1 3 315.458 0.428 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O)N(C)C ZINC001178815897 770883919 /nfs/dbraw/zinc/88/39/19/770883919.db2.gz NKKUNRMEJDGPQX-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001178815460 770884549 /nfs/dbraw/zinc/88/45/49/770884549.db2.gz CROCSTWQIQZHPI-OAHLLOKOSA-N 1 3 324.473 0.922 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)[C@@H]1C)N(C)C ZINC001178990208 770922392 /nfs/dbraw/zinc/92/23/92/770922392.db2.gz NBCPXFANCURHNH-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)CCC[NH+](C)C ZINC001179435774 771005366 /nfs/dbraw/zinc/00/53/66/771005366.db2.gz WBQQADLAOVCHQX-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H]1C ZINC001179983168 771043427 /nfs/dbraw/zinc/04/34/27/771043427.db2.gz NFQWXVAUQQCHMN-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H]1C ZINC001180223001 771076033 /nfs/dbraw/zinc/07/60/33/771076033.db2.gz YBTUMSXNPOLBOL-ZFWWWQNUSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CCCO ZINC001181755415 771343511 /nfs/dbraw/zinc/34/35/11/771343511.db2.gz QHNIDGLBCBRBRC-UKPHBRMFSA-N 1 3 311.470 0.783 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001151065708 771356311 /nfs/dbraw/zinc/35/63/11/771356311.db2.gz NCWQQVZKVVILMO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001151065708 771356318 /nfs/dbraw/zinc/35/63/18/771356318.db2.gz NCWQQVZKVVILMO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473492 771497355 /nfs/dbraw/zinc/49/73/55/771497355.db2.gz RWDDMEMMVPPPAK-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473492 771497357 /nfs/dbraw/zinc/49/73/57/771497357.db2.gz RWDDMEMMVPPPAK-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)CC)C2)CC[N@@H+]1C ZINC001182692965 771535310 /nfs/dbraw/zinc/53/53/10/771535310.db2.gz PVXLDIVKAQDSSY-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)CC)C2)CC[N@H+]1C ZINC001182692965 771535312 /nfs/dbraw/zinc/53/53/12/771535312.db2.gz PVXLDIVKAQDSSY-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001182924061 771571462 /nfs/dbraw/zinc/57/14/62/771571462.db2.gz DNCRLQREGQQODS-JKIFEVAISA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001183038561 771594941 /nfs/dbraw/zinc/59/49/41/771594941.db2.gz CKDFFBNIHZLFQA-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001183038561 771594945 /nfs/dbraw/zinc/59/49/45/771594945.db2.gz CKDFFBNIHZLFQA-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO COc1cc2c(cc1OC)[C@@H](CNC(=O)[C@H](N)CCC[NH3+])C2 ZINC001157424751 771607417 /nfs/dbraw/zinc/60/74/17/771607417.db2.gz XUBFVRFCRSKDIG-DGCLKSJQSA-N 1 3 307.394 0.526 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)CSC(C)=O ZINC001183135243 771613542 /nfs/dbraw/zinc/61/35/42/771613542.db2.gz HJRCRNCTTSBLGK-SNVBAGLBSA-N 1 3 302.444 0.966 20 0 DCADHO CN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)[C@H](c2ccccc2)C1 ZINC001157496589 771621048 /nfs/dbraw/zinc/62/10/48/771621048.db2.gz ZDMCETFDOJHZHL-CBZIJGRNSA-N 1 3 314.433 0.724 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC001157610336 771640703 /nfs/dbraw/zinc/64/07/03/771640703.db2.gz YKWZDHXKNSKKMJ-JZLODUJNSA-N 1 3 316.449 0.910 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183392001 771643277 /nfs/dbraw/zinc/64/32/77/771643277.db2.gz VHHDAWZWPHQTLU-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183392001 771643280 /nfs/dbraw/zinc/64/32/80/771643280.db2.gz VHHDAWZWPHQTLU-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183647017 771674820 /nfs/dbraw/zinc/67/48/20/771674820.db2.gz BFMLMLYCWCXHTL-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001183648780 771675918 /nfs/dbraw/zinc/67/59/18/771675918.db2.gz ZEIYWEOXAMFFEE-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1=O ZINC001183765430 771698698 /nfs/dbraw/zinc/69/86/98/771698698.db2.gz SJUPWPZHERCNGS-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1=O ZINC001183765430 771698700 /nfs/dbraw/zinc/69/87/00/771698700.db2.gz SJUPWPZHERCNGS-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1ncn(-c2ncc3c(n2)CCNC3)c1CSCC[NH3+] ZINC001157961591 771703096 /nfs/dbraw/zinc/70/30/96/771703096.db2.gz ILRNSGMJBNNYEA-UHFFFAOYSA-N 1 3 304.423 0.808 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)n1 ZINC001158036659 771716554 /nfs/dbraw/zinc/71/65/54/771716554.db2.gz FAIDLSKJEFYDFC-GDBMZVCRSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)n1 ZINC001158036659 771716556 /nfs/dbraw/zinc/71/65/56/771716556.db2.gz FAIDLSKJEFYDFC-GDBMZVCRSA-N 1 3 319.453 0.890 20 0 DCADHO O=C(c1ccc2c(n1)CCNC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158081958 771723195 /nfs/dbraw/zinc/72/31/95/771723195.db2.gz IZCXFFFHVCNYDP-UHFFFAOYSA-N 1 3 316.405 0.322 20 0 DCADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1CC[C@]3(C1)CNCCO3)CC2 ZINC001158081478 771723688 /nfs/dbraw/zinc/72/36/88/771723688.db2.gz DJQRGPYNOOCYAN-DYVFJYSZSA-N 1 3 307.438 0.875 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158109775 771726866 /nfs/dbraw/zinc/72/68/66/771726866.db2.gz CDBVGUROSBKNAO-GJZGRUSLSA-N 1 3 321.465 0.872 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158109775 771726868 /nfs/dbraw/zinc/72/68/68/771726868.db2.gz CDBVGUROSBKNAO-GJZGRUSLSA-N 1 3 321.465 0.872 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(C[C@H]2CCO)CC1 ZINC001158109774 771726872 /nfs/dbraw/zinc/72/68/72/771726872.db2.gz CDBVGUROSBKNAO-CABCVRRESA-N 1 3 321.465 0.872 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(C[C@H]2CCO)CC1 ZINC001158109774 771726875 /nfs/dbraw/zinc/72/68/75/771726875.db2.gz CDBVGUROSBKNAO-CABCVRRESA-N 1 3 321.465 0.872 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162277 771732335 /nfs/dbraw/zinc/73/23/35/771732335.db2.gz WPFHGYQULFMDQB-DUVNUKRYSA-N 1 3 310.442 0.221 20 0 DCADHO O=C(N1C[C@H]2c3ccccc3CN[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158327667 771760142 /nfs/dbraw/zinc/76/01/42/771760142.db2.gz MADRJNIJYUBMTK-SCNOPHJPSA-N 1 3 313.401 0.320 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486628 771782036 /nfs/dbraw/zinc/78/20/36/771782036.db2.gz PWDVIFMYPJKIOK-GJZGRUSLSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486628 771782038 /nfs/dbraw/zinc/78/20/38/771782038.db2.gz PWDVIFMYPJKIOK-GJZGRUSLSA-N 1 3 322.409 0.442 20 0 DCADHO CN1CCC(N(c2cccc(C(N)=O)n2)C2CC[NH2+]CC2)CC1 ZINC001158581795 771792695 /nfs/dbraw/zinc/79/26/95/771792695.db2.gz WBVFSKARNZYXOX-UHFFFAOYSA-N 1 3 317.437 0.833 20 0 DCADHO CC(C)Oc1ncnc2c1CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001158959552 771838681 /nfs/dbraw/zinc/83/86/81/771838681.db2.gz REKDVRBMYQXRLE-CYBMUJFWSA-N 1 3 321.425 0.257 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876048 771841269 /nfs/dbraw/zinc/84/12/69/771841269.db2.gz DRPBTHWEUZTCNS-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001159155330 771866767 /nfs/dbraw/zinc/86/67/67/771866767.db2.gz MTPHHZOOCSFFDH-ZDUSSCGKSA-N 1 3 316.421 0.041 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](F)CN(CC)CC ZINC001159154718 771867263 /nfs/dbraw/zinc/86/72/63/771867263.db2.gz BPQVDDUILYYNIL-ZDUSSCGKSA-N 1 3 318.437 0.241 20 0 DCADHO Cc1cccc(N(C(=O)[C@@H](N)CN)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159340682 771899281 /nfs/dbraw/zinc/89/92/81/771899281.db2.gz XKOJRLQTEQNRQC-YQQAZPJKSA-N 1 3 318.421 0.135 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCCC2)C1 ZINC001185385570 771909174 /nfs/dbraw/zinc/90/91/74/771909174.db2.gz SESHLTUKGMKPGQ-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401628 771912041 /nfs/dbraw/zinc/91/20/41/771912041.db2.gz VUQUDKYJAKRHRS-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCOC(=O)C1=C(Nc2ncnc3c2CC[NH2+]CC3)CCNC1 ZINC001159453474 771912454 /nfs/dbraw/zinc/91/24/54/771912454.db2.gz SSHGSGGTOQPATP-UHFFFAOYSA-N 1 3 317.393 0.387 20 0 DCADHO C[C@H](Nc1nccc(N2CCC([NH3+])CC2)n1)[C@@H]1CNCCO1 ZINC001159496646 771919510 /nfs/dbraw/zinc/91/95/10/771919510.db2.gz DUBSGUFLWJGCBL-AAEUAGOBSA-N 1 3 306.414 0.193 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001185650352 771939905 /nfs/dbraw/zinc/93/99/05/771939905.db2.gz HDTRQFRUTQRGQJ-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650809 771940266 /nfs/dbraw/zinc/94/02/66/771940266.db2.gz OFYZMBLQDAPAGE-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650809 771940269 /nfs/dbraw/zinc/94/02/69/771940269.db2.gz OFYZMBLQDAPAGE-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2cnnn2C)C1 ZINC001159839219 771967207 /nfs/dbraw/zinc/96/72/07/771967207.db2.gz VAMLJBODRQIOSY-CQSZACIVSA-N 1 3 322.457 0.389 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCCNCc2cnnn2C)C1 ZINC001159839219 771967210 /nfs/dbraw/zinc/96/72/10/771967210.db2.gz VAMLJBODRQIOSY-CQSZACIVSA-N 1 3 322.457 0.389 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)C1=O ZINC001159933006 771980838 /nfs/dbraw/zinc/98/08/38/771980838.db2.gz XSARWMNVYHANLE-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(=O)N1CCCC[C@]12CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160421184 772035195 /nfs/dbraw/zinc/03/51/95/772035195.db2.gz AWSIKDKYMMJHOX-NVXWUHKLSA-N 1 3 322.453 0.317 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H](C(C)C)[NH+](C)C)ncn1 ZINC001160426435 772035856 /nfs/dbraw/zinc/03/58/56/772035856.db2.gz FUIRQNVGYSLPNJ-HNNXBMFYSA-N 1 3 307.442 0.967 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001186489312 772045402 /nfs/dbraw/zinc/04/54/02/772045402.db2.gz ZVGFRBGGQPCUSW-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001186496308 772046365 /nfs/dbraw/zinc/04/63/65/772046365.db2.gz CZZVPPVBFLTUJA-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@H]1COCc1ccccc1 ZINC001160525798 772058206 /nfs/dbraw/zinc/05/82/06/772058206.db2.gz FENWKTTVHNCZEM-JKSUJKDBSA-N 1 3 315.417 0.613 20 0 DCADHO COC(=O)c1cccc2c1CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160566073 772067014 /nfs/dbraw/zinc/06/70/14/772067014.db2.gz ZNADLLZLBBMDFA-HNNXBMFYSA-N 1 3 317.389 0.642 20 0 DCADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001160638043 772081862 /nfs/dbraw/zinc/08/18/62/772081862.db2.gz XVUOUXDLUQJENI-XJKSGUPXSA-N 1 3 313.442 0.847 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160696017 772097928 /nfs/dbraw/zinc/09/79/28/772097928.db2.gz SJPNFJZQXYTTCR-IHRRRGAJSA-N 1 3 312.458 0.323 20 0 DCADHO CCOC(=O)c1coc2c1CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160760830 772107973 /nfs/dbraw/zinc/10/79/73/772107973.db2.gz AYFYNXZRUUDCLJ-GFCCVEGCSA-N 1 3 319.361 0.108 20 0 DCADHO O=C(N1CC[C@]2(C1)CC(F)(F)CO2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160769595 772109623 /nfs/dbraw/zinc/10/96/23/772109623.db2.gz MGTDYPKXLJCWSC-MRVWCRGKSA-N 1 3 315.364 0.212 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001160882898 772132370 /nfs/dbraw/zinc/13/23/70/772132370.db2.gz ALVJIQXJOPCXQU-CQSZACIVSA-N 1 3 310.446 0.331 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889085 772132800 /nfs/dbraw/zinc/13/28/00/772132800.db2.gz BSORDLVTOBLCEH-CHWSQXEVSA-N 1 3 300.447 0.337 20 0 DCADHO Cc1ncccc1CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115237 772133373 /nfs/dbraw/zinc/13/33/73/772133373.db2.gz HHDVFHIYZXGSQV-MRXNPFEDSA-N 1 3 320.437 0.659 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1ccon1)N(C)C ZINC001160890107 772133730 /nfs/dbraw/zinc/13/37/30/772133730.db2.gz VBAQNDACRCVECQ-LLVKDONJSA-N 1 3 311.386 0.049 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](NCc2ccccc2)C(C)(C)[NH3+])CCN1 ZINC001161014788 772149010 /nfs/dbraw/zinc/14/90/10/772149010.db2.gz OPBGNLANWSKFLG-HIFRSBDPSA-N 1 3 304.438 0.702 20 0 DCADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001161083760 772164037 /nfs/dbraw/zinc/16/40/37/772164037.db2.gz CAQDKENOMONAHJ-ILXRZTDVSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001187298305 772170641 /nfs/dbraw/zinc/17/06/41/772170641.db2.gz AYBAZWBFAJAEOP-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001187298305 772170643 /nfs/dbraw/zinc/17/06/43/772170643.db2.gz AYBAZWBFAJAEOP-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]1CCNC[C@H]1F ZINC001161158108 772178127 /nfs/dbraw/zinc/17/81/27/772178127.db2.gz PQHHJFIAIYVDTA-NWDGAFQWSA-N 1 3 303.378 0.065 20 0 DCADHO CN[C@@H](CO)C(=O)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001161282248 772196105 /nfs/dbraw/zinc/19/61/05/772196105.db2.gz VVUQBDIRTXQBBB-INIZCTEOSA-N 1 3 323.412 0.795 20 0 DCADHO CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)[C@H]1CCC[NH2+]C1 ZINC001161330376 772205642 /nfs/dbraw/zinc/20/56/42/772205642.db2.gz MXCMKHORYSYVJT-IHRRRGAJSA-N 1 3 312.458 0.465 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145982 772272056 /nfs/dbraw/zinc/27/20/56/772272056.db2.gz UTVHAHPVAWVZLX-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCCNC(=O)c1cccnc1-n1nccc1CN ZINC001162590926 772394651 /nfs/dbraw/zinc/39/46/51/772394651.db2.gz JVBXSQWNISMGSY-UHFFFAOYSA-N 1 3 302.382 0.408 20 0 DCADHO CCCN(C)CC(=O)N(CC[NH2+]CCO)CCc1ccccc1 ZINC001162987378 772439518 /nfs/dbraw/zinc/43/95/18/772439518.db2.gz OGOGZQGNYOPMTD-UHFFFAOYSA-N 1 3 321.465 0.981 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(-n2ccnc2)nn1 ZINC001163128404 772468685 /nfs/dbraw/zinc/46/86/85/772468685.db2.gz KFSMPVDCVQDBQY-UHFFFAOYSA-N 1 3 302.386 0.940 20 0 DCADHO CC[NH+](CC)CCNC(=N)Nc1ccc(C(=O)NC2CC2)nn1 ZINC001163129786 772468810 /nfs/dbraw/zinc/46/88/10/772468810.db2.gz PCMSYOSOWTZHSH-UHFFFAOYSA-N 1 3 319.413 0.647 20 0 DCADHO c1cc2c(nc1N[C@@H]1CCO[C@]3(CC[NH2+]C3)C1)OCCNC2 ZINC001163311115 772504697 /nfs/dbraw/zinc/50/46/97/772504697.db2.gz QQMILNMWBMMOBP-CZUORRHYSA-N 1 3 304.394 0.887 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC)CC1)N(C)C ZINC001165718752 772758011 /nfs/dbraw/zinc/75/80/11/772758011.db2.gz QOOZTFYPWLCIMW-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C1CC1 ZINC001166626169 772830224 /nfs/dbraw/zinc/83/02/24/772830224.db2.gz BWUOORDDKYVLKB-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)CN2CCC[C@@H]2C)C1=O ZINC001166627123 772830989 /nfs/dbraw/zinc/83/09/89/772830989.db2.gz QLUUUJWZFHPESQ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166627471 772831304 /nfs/dbraw/zinc/83/13/04/772831304.db2.gz WEJJWDTUPTVXHT-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001166676759 772838314 /nfs/dbraw/zinc/83/83/14/772838314.db2.gz BWOLGUNTQDZOKD-CHWSQXEVSA-N 1 3 319.396 0.848 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166691783 772842536 /nfs/dbraw/zinc/84/25/36/772842536.db2.gz NBQFFTCHENCOED-JSGCOSHPSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nccnc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166691783 772842541 /nfs/dbraw/zinc/84/25/41/772842541.db2.gz NBQFFTCHENCOED-JSGCOSHPSA-N 1 3 305.426 0.579 20 0 DCADHO CN(CC(=O)NCCC[NH2+][C@H]1CCCNC1=O)CC(C)(C)C ZINC001166744449 772855943 /nfs/dbraw/zinc/85/59/43/772855943.db2.gz XLULNFPAVXTTSM-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001166764413 772857240 /nfs/dbraw/zinc/85/72/40/772857240.db2.gz BKYSOYFGHDCNNF-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CN1CCC[C@@H]([NH2+]CCCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001166764393 772857494 /nfs/dbraw/zinc/85/74/94/772857494.db2.gz AJMVHPLHKIFCBO-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1ccon1)N(C)C ZINC001166852690 772871309 /nfs/dbraw/zinc/87/13/09/772871309.db2.gz VBAQNDACRCVECQ-NSHDSACASA-N 1 3 311.386 0.049 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC1CCC1)N(C)C ZINC001166857609 772871381 /nfs/dbraw/zinc/87/13/81/772871381.db2.gz FCRXEBXHAAOTSO-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO Cn1nncc1CNCC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166895807 772874348 /nfs/dbraw/zinc/87/43/48/772874348.db2.gz CFXAWRMTQYLODG-UHFFFAOYSA-N 1 3 322.457 0.533 20 0 DCADHO COCCOCCN(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192163374 772877584 /nfs/dbraw/zinc/87/75/84/772877584.db2.gz WDHLXGKIKIUGHU-AWEZNQCLSA-N 1 3 301.431 0.134 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275231 773061233 /nfs/dbraw/zinc/06/12/33/773061233.db2.gz QCORRTYJABAXIL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](O)C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287235 773062988 /nfs/dbraw/zinc/06/29/88/773062988.db2.gz APDGHASZCVUBSP-AWEZNQCLSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001206953446 773147163 /nfs/dbraw/zinc/14/71/63/773147163.db2.gz LAPQOSFROBMPEQ-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194298817 773171809 /nfs/dbraw/zinc/17/18/09/773171809.db2.gz LSIWOKACIXAYHS-HUUCEWRRSA-N 1 3 306.410 0.478 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152146343 773265341 /nfs/dbraw/zinc/26/53/41/773265341.db2.gz ILESQVISDRFGKI-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331260 773436014 /nfs/dbraw/zinc/43/60/14/773436014.db2.gz OUKPZBWZTVZJSY-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331260 773436017 /nfs/dbraw/zinc/43/60/17/773436017.db2.gz OUKPZBWZTVZJSY-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340173 773438141 /nfs/dbraw/zinc/43/81/41/773438141.db2.gz KBOBXKIQIJSKEY-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195828459 773489700 /nfs/dbraw/zinc/48/97/00/773489700.db2.gz HKDZAKZHSJNDQB-HZPDHXFCSA-N 1 3 311.470 0.926 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152245629 773528715 /nfs/dbraw/zinc/52/87/15/773528715.db2.gz JDPMDLUOMGLXNL-LBPRGKRZSA-N 1 3 306.410 0.202 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209302969 773588102 /nfs/dbraw/zinc/58/81/02/773588102.db2.gz IAKMVLQOELCFJA-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408744 773603200 /nfs/dbraw/zinc/60/32/00/773603200.db2.gz XACHEFVHEMYXCQ-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc([C@@H](C)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209456284 773607980 /nfs/dbraw/zinc/60/79/80/773607980.db2.gz YOOOEPVEQQWIRL-YPMHNXCESA-N 1 3 308.430 0.706 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001209634015 773627180 /nfs/dbraw/zinc/62/71/80/773627180.db2.gz ZFWYPZJMUSQJLD-HIFRSBDPSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001210217466 773685750 /nfs/dbraw/zinc/68/57/50/773685750.db2.gz IVPWSIFWABRQMT-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001210216915 773685825 /nfs/dbraw/zinc/68/58/25/773685825.db2.gz BYKJKNOMBIXGNZ-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001210218926 773687298 /nfs/dbraw/zinc/68/72/98/773687298.db2.gz RLHQQXGUDKWQJO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210283420 773694246 /nfs/dbraw/zinc/69/42/46/773694246.db2.gz OQSORIRLOAABKX-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210284504 773694834 /nfs/dbraw/zinc/69/48/34/773694834.db2.gz VBRFHKFMECSVEW-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001210494741 773713778 /nfs/dbraw/zinc/71/37/78/773713778.db2.gz XDSVHSAXMUCPDD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001210494741 773713784 /nfs/dbraw/zinc/71/37/84/773713784.db2.gz XDSVHSAXMUCPDD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750955 773734191 /nfs/dbraw/zinc/73/41/91/773734191.db2.gz PGYNSTXGPWSKMQ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001210790518 773739253 /nfs/dbraw/zinc/73/92/53/773739253.db2.gz YFZQKRPNQJTOAB-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211063965 773764903 /nfs/dbraw/zinc/76/49/03/773764903.db2.gz FFHIFZGVGBPWGB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211063965 773764907 /nfs/dbraw/zinc/76/49/07/773764907.db2.gz FFHIFZGVGBPWGB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197792651 773800844 /nfs/dbraw/zinc/80/08/44/773800844.db2.gz PJBMXGZZXICYST-VCMBOFEFSA-N 1 3 309.454 0.846 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197792651 773800851 /nfs/dbraw/zinc/80/08/51/773800851.db2.gz PJBMXGZZXICYST-VCMBOFEFSA-N 1 3 309.454 0.846 20 0 DCADHO COCCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378398 773839406 /nfs/dbraw/zinc/83/94/06/773839406.db2.gz PFLFBSHWAVEEMD-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CO[C@@H]1CN(CC[C@H](C)F)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730527 773879838 /nfs/dbraw/zinc/87/98/38/773879838.db2.gz QBDZBSNXQOUXPF-BFHYXJOUSA-N 1 3 319.421 0.128 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1 ZINC001152432592 773890526 /nfs/dbraw/zinc/89/05/26/773890526.db2.gz MDBNUFZOFZFLGC-HNNXBMFYSA-N 1 3 315.458 0.618 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC)C1 ZINC001214779916 774014000 /nfs/dbraw/zinc/01/40/00/774014000.db2.gz DCDDPADFWMFSGR-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC)C1 ZINC001214779916 774014004 /nfs/dbraw/zinc/01/40/04/774014004.db2.gz DCDDPADFWMFSGR-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001214950434 774028751 /nfs/dbraw/zinc/02/87/51/774028751.db2.gz RGGSWLAXKKBQJI-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456458 774073817 /nfs/dbraw/zinc/07/38/17/774073817.db2.gz VIYOMRXHURUAMZ-IUODEOHRSA-N 1 3 307.442 0.617 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)C(C)C ZINC001215977752 774096153 /nfs/dbraw/zinc/09/61/53/774096153.db2.gz RLTAKOMUIVAMSR-NFAWXSAZSA-N 1 3 312.458 0.275 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216828260 774140574 /nfs/dbraw/zinc/14/05/74/774140574.db2.gz DJVMRHUQIYIEGR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001216853591 774143315 /nfs/dbraw/zinc/14/33/15/774143315.db2.gz ITWDBNALWTWFNA-UKRRQHHQSA-N 1 3 324.469 0.384 20 0 DCADHO CCOC(=O)c1c(C)nsc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218545455 774243049 /nfs/dbraw/zinc/24/30/49/774243049.db2.gz BYRGTXOPTXDBAR-QMMMGPOBSA-N 1 3 300.384 0.633 20 0 DCADHO COCCCN1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550560 774244029 /nfs/dbraw/zinc/24/40/29/774244029.db2.gz FEQRVIHIEKGHRO-LSDHHAIUSA-N 1 3 313.442 0.276 20 0 DCADHO CCOC(=O)c1oc2nccnc2c1NC(=O)[C@H](N)CCC[NH3+] ZINC001218567367 774249549 /nfs/dbraw/zinc/24/95/49/774249549.db2.gz DJJMXIXVHYJDAN-MRVPVSSYSA-N 1 3 321.337 0.404 20 0 DCADHO CCCN=c1c(N)c(Cl)ncn1C(=O)[C@H](N)CCC[NH3+] ZINC001218572557 774252708 /nfs/dbraw/zinc/25/27/08/774252708.db2.gz WXKVYJNZIQMGAL-MRVPVSSYSA-N 1 3 300.794 0.136 20 0 DCADHO Cc1nc(Cl)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(Cl)n1 ZINC001218595015 774259387 /nfs/dbraw/zinc/25/93/87/774259387.db2.gz KCEGSFSHJDTTBB-SSDOTTSWSA-N 1 3 316.192 0.839 20 0 DCADHO COC(=O)c1c(C)scc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218666605 774277524 /nfs/dbraw/zinc/27/75/24/774277524.db2.gz BTPVILNSWCAPSV-SECBINFHSA-N 1 3 309.391 0.591 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1cnc(-c2ccc(O)cc2)nc1 ZINC001218701467 774283181 /nfs/dbraw/zinc/28/31/81/774283181.db2.gz HGICATATLBHYMS-ZDUSSCGKSA-N 1 3 301.350 0.854 20 0 DCADHO N[C@@H](C(=O)Nc1ncccc1N1CCOCC1)C1CC[NH2+]CC1 ZINC001218711197 774285551 /nfs/dbraw/zinc/28/55/51/774285551.db2.gz AEVAHBVDCPSSIY-CQSZACIVSA-N 1 3 319.409 0.184 20 0 DCADHO Nc1cnc(N(CC(F)(F)F)C(=O)[C@@H](N)CCC[NH3+])nc1 ZINC001218739484 774292465 /nfs/dbraw/zinc/29/24/65/774292465.db2.gz BDNNZCKTXNYPCL-QMMMGPOBSA-N 1 3 306.292 0.020 20 0 DCADHO N[C@@H](C(=O)Nc1ccc2c(cnn2CCO)c1)C1CC[NH2+]CC1 ZINC001218879571 774320530 /nfs/dbraw/zinc/32/05/30/774320530.db2.gz UVJQYPOVMBLARK-OAHLLOKOSA-N 1 3 317.393 0.294 20 0 DCADHO Cc1cc(N)cc2sc(=N)n(C(=O)[C@H]3C[NH2+]CC34CNC4)c21 ZINC001218953948 774334603 /nfs/dbraw/zinc/33/46/03/774334603.db2.gz HFDKBKVMMIDAEO-SNVBAGLBSA-N 1 3 317.418 0.522 20 0 DCADHO NC[C@H](O)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219130748 774381213 /nfs/dbraw/zinc/38/12/13/774381213.db2.gz UNBQMCVTOTXCOA-ZDUSSCGKSA-N 1 3 311.357 0.462 20 0 DCADHO COC(=O)c1ccc(N)c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001219146926 774389258 /nfs/dbraw/zinc/38/92/58/774389258.db2.gz JFLSDIWJQOUJAC-ZDUSSCGKSA-N 1 3 306.366 0.321 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200704572 774395067 /nfs/dbraw/zinc/39/50/67/774395067.db2.gz NEELCLXPOMEFPR-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CN(CC(=O)N1CCCO[C@H](C[NH2+]CCF)C1)C1CCC1 ZINC001200704612 774395392 /nfs/dbraw/zinc/39/53/92/774395392.db2.gz NPDPWPMOFREIMF-CQSZACIVSA-N 1 3 301.406 0.647 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1)N(C)C ZINC001200738672 774404107 /nfs/dbraw/zinc/40/41/07/774404107.db2.gz YHBUBUUREYSINS-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(C)C)CC1)N(C)C ZINC001201240520 774470038 /nfs/dbraw/zinc/47/00/38/774470038.db2.gz VBAMRSKLDRLLKV-CQSZACIVSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1)C(N)=O ZINC001201326951 774488332 /nfs/dbraw/zinc/48/83/32/774488332.db2.gz FXGGJJKAOUNTIW-CYBMUJFWSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCOC)C1)N(C)C ZINC001201411117 774505441 /nfs/dbraw/zinc/50/54/41/774505441.db2.gz NZFBNIHCQDCVGS-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201493579 774516914 /nfs/dbraw/zinc/51/69/14/774516914.db2.gz HJXBFFOQXMFQDH-OAHLLOKOSA-N 1 3 324.425 0.584 20 0 DCADHO Cc1cc2c(cc1CNC(=O)[C@@H]1C[NH2+]CC13CNC3)OCCO2 ZINC001219604547 774553649 /nfs/dbraw/zinc/55/36/49/774553649.db2.gz RKQGBYGAWCWUEF-ZDUSSCGKSA-N 1 3 317.389 0.191 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219645231 774570980 /nfs/dbraw/zinc/57/09/80/774570980.db2.gz JNXARASYOYLPQQ-AGIUHOORSA-N 1 3 313.442 0.668 20 0 DCADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720781 774591672 /nfs/dbraw/zinc/59/16/72/774591672.db2.gz PZXOWPUZNBDENY-GRYCIOLGSA-N 1 3 317.311 0.418 20 0 DCADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1csc([C@@H]2CCCN2)n1 ZINC001219856698 774630365 /nfs/dbraw/zinc/63/03/65/774630365.db2.gz XOOCFXCYTADMJI-FYLLDIAZSA-N 1 3 308.407 0.284 20 0 DCADHO CN1C(=O)CCC12CCC(NC(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001219896135 774639199 /nfs/dbraw/zinc/63/91/99/774639199.db2.gz LWJQOJRMJWPQRG-UYJPIKCFSA-N 1 3 310.442 0.493 20 0 DCADHO Cn1c(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc2ccccc21 ZINC001219934395 774650778 /nfs/dbraw/zinc/65/07/78/774650778.db2.gz CZQPJJUREHALKV-RDTXWAMCSA-N 1 3 312.417 0.994 20 0 DCADHO COC(=O)CCCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220047665 774680632 /nfs/dbraw/zinc/68/06/32/774680632.db2.gz BJITUTSZIUOLKU-CYBMUJFWSA-N 1 3 311.426 0.710 20 0 DCADHO COC(=O)CCCCCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220047665 774680633 /nfs/dbraw/zinc/68/06/33/774680633.db2.gz BJITUTSZIUOLKU-CYBMUJFWSA-N 1 3 311.426 0.710 20 0 DCADHO COC(=O)CCCCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220047667 774680669 /nfs/dbraw/zinc/68/06/69/774680669.db2.gz BJTYJWJOEWYXAE-ZDUSSCGKSA-N 1 3 301.431 0.895 20 0 DCADHO COC(=O)CCCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220047666 774680703 /nfs/dbraw/zinc/68/07/03/774680703.db2.gz BJITUTSZIUOLKU-ZDUSSCGKSA-N 1 3 311.426 0.710 20 0 DCADHO COC(=O)CCCCCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220047666 774680706 /nfs/dbraw/zinc/68/07/06/774680706.db2.gz BJITUTSZIUOLKU-ZDUSSCGKSA-N 1 3 311.426 0.710 20 0 DCADHO O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1[nH]nc2c1CCNC2 ZINC001220166124 774716953 /nfs/dbraw/zinc/71/69/53/774716953.db2.gz AFTFOYREVSWNIO-MEDUHNTESA-N 1 3 303.410 0.708 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496860 774730398 /nfs/dbraw/zinc/73/03/98/774730398.db2.gz ZMGBERMQWODGDF-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NC1CCN(C(=O)C2CCCC2)CC1 ZINC001220263407 774749759 /nfs/dbraw/zinc/74/97/59/774749759.db2.gz JCIGGUKRXWZHSF-HNNXBMFYSA-N 1 3 324.469 0.740 20 0 DCADHO NC1(C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)Cc2ccccc2C1 ZINC001220317417 774770119 /nfs/dbraw/zinc/77/01/19/774770119.db2.gz YUFUEIKKIGNXIW-WBVHZDCISA-N 1 3 315.417 0.510 20 0 DCADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccc2c(n1)CCNC2 ZINC001220324132 774772255 /nfs/dbraw/zinc/77/22/55/774772255.db2.gz YLRMQXOKFLNOEX-SUMWQHHRSA-N 1 3 316.405 0.368 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388046 774791350 /nfs/dbraw/zinc/79/13/50/774791350.db2.gz YSKNSOXMEYSCEB-ZNMIVQPWSA-N 1 3 313.442 0.057 20 0 DCADHO Cn1cc(-c2cc(CNC(=O)[C@@H](N)CCCC[NH3+])ccn2)cn1 ZINC001220453865 774813950 /nfs/dbraw/zinc/81/39/50/774813950.db2.gz MLYJRQZIFQUZMA-AWEZNQCLSA-N 1 3 316.409 0.555 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCOCC4)C[C@H]32)CCC1 ZINC001114406994 774843801 /nfs/dbraw/zinc/84/38/01/774843801.db2.gz OJUKYRUBTQVRSU-ZSHCYNCHSA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)CCC1 ZINC001114406994 774843812 /nfs/dbraw/zinc/84/38/12/774843812.db2.gz OJUKYRUBTQVRSU-ZSHCYNCHSA-N 1 3 321.465 0.944 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21)C1CCC1 ZINC001114414271 774851965 /nfs/dbraw/zinc/85/19/65/774851965.db2.gz PMQWESLNBKWPPB-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21)C1CCC1 ZINC001114414271 774851972 /nfs/dbraw/zinc/85/19/72/774851972.db2.gz PMQWESLNBKWPPB-KBEGMRNHSA-N 1 3 321.465 0.944 20 0 DCADHO CN(CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)CC(C)(C)C ZINC001202526886 774864061 /nfs/dbraw/zinc/86/40/61/774864061.db2.gz SMVWIWHEWXBRCR-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCOC)C[C@@H]1O ZINC001220688748 774890422 /nfs/dbraw/zinc/89/04/22/774890422.db2.gz PKKGCYDGENWESR-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCOC)C[C@@H]1O ZINC001220688748 774890427 /nfs/dbraw/zinc/89/04/27/774890427.db2.gz PKKGCYDGENWESR-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO C[C@](CO)(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccccc1 ZINC001220711892 774898357 /nfs/dbraw/zinc/89/83/57/774898357.db2.gz UAFKNGDNWMYJKZ-DJIMGWMZSA-N 1 3 303.406 0.209 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1CCC2(CNC2)O1 ZINC001220788971 774915332 /nfs/dbraw/zinc/91/53/32/774915332.db2.gz HSEYDAAANDCWFY-ZNMIVQPWSA-N 1 3 316.405 0.369 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220926388 774954335 /nfs/dbraw/zinc/95/43/35/774954335.db2.gz KDIPYTSWXXGXJY-HOTGVXAUSA-N 1 3 318.421 0.133 20 0 DCADHO NC1(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001220968800 774965059 /nfs/dbraw/zinc/96/50/59/774965059.db2.gz CQJZBWIRONYUML-UHFFFAOYSA-N 1 3 316.405 0.114 20 0 DCADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)C2([NH3+])CC2)CC1 ZINC001220968800 774965063 /nfs/dbraw/zinc/96/50/63/774965063.db2.gz CQJZBWIRONYUML-UHFFFAOYSA-N 1 3 316.405 0.114 20 0 DCADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976290 774967710 /nfs/dbraw/zinc/96/77/10/774967710.db2.gz SKCVFPCYSURAQY-YEHCYSSBSA-N 1 3 309.454 0.846 20 0 DCADHO CCC/C=C/CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976290 774967713 /nfs/dbraw/zinc/96/77/13/774967713.db2.gz SKCVFPCYSURAQY-YEHCYSSBSA-N 1 3 309.454 0.846 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccn(CC(F)(F)F)c(=O)c1 ZINC001220988757 774971801 /nfs/dbraw/zinc/97/18/01/774971801.db2.gz UWNJEYLXYBJALY-SECBINFHSA-N 1 3 306.288 0.415 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N(CC[NH3+])c2ccc(F)cc2)C1=O ZINC001221060990 774987647 /nfs/dbraw/zinc/98/76/47/774987647.db2.gz WFCKLASYVSMALW-AWEZNQCLSA-N 1 3 322.384 0.457 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121416 775001105 /nfs/dbraw/zinc/00/11/05/775001105.db2.gz DRGGIODBDDJFOW-CYBMUJFWSA-N 1 3 320.393 0.057 20 0 DCADHO O=C(NCC1(CC2CCC2)CCOCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221179180 775018972 /nfs/dbraw/zinc/01/89/72/775018972.db2.gz LSZOUBZTJXAZFZ-HNNXBMFYSA-N 1 3 321.465 0.899 20 0 DCADHO CN[C@@H](CO)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205568 775024993 /nfs/dbraw/zinc/02/49/93/775024993.db2.gz YQNCQZJCFHXSOA-CVEARBPZSA-N 1 3 323.412 0.953 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001221240760 775038087 /nfs/dbraw/zinc/03/80/87/775038087.db2.gz AKYHCWJUSNNWPE-HEHGZKQESA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221240760 775038091 /nfs/dbraw/zinc/03/80/91/775038091.db2.gz AKYHCWJUSNNWPE-HEHGZKQESA-N 1 3 312.458 0.465 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CC[NH2+]C[C@@H]3F)CC2)NC1 ZINC001221392236 775083169 /nfs/dbraw/zinc/08/31/69/775083169.db2.gz KOZOUEVSEASLRA-KBPBESRZSA-N 1 3 308.401 0.502 20 0 DCADHO COCC1(NC(=O)[C@@H](N)C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC001221396318 775085357 /nfs/dbraw/zinc/08/53/57/775085357.db2.gz MVCZIKSGLQEGSB-INIZCTEOSA-N 1 3 317.433 0.614 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001221409440 775092177 /nfs/dbraw/zinc/09/21/77/775092177.db2.gz UGBIBQCQOCRPAR-XQLPTFJDSA-N 1 3 322.453 0.348 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)cn1 ZINC001221411137 775092829 /nfs/dbraw/zinc/09/28/29/775092829.db2.gz UKZHLHINPZJZEM-YOEHRIQHSA-N 1 3 318.421 0.984 20 0 DCADHO CCOC(=O)[C@H]1CNCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001222081596 775264023 /nfs/dbraw/zinc/26/40/23/775264023.db2.gz YHFNULOTHHUMEG-MRXNPFEDSA-N 1 3 303.406 0.669 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222077049 775264705 /nfs/dbraw/zinc/26/47/05/775264705.db2.gz VVVHLCDFKVZCHT-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222668429 775411152 /nfs/dbraw/zinc/41/11/52/775411152.db2.gz KKWDICLTPYAJEZ-RBSFLKMASA-N 1 3 316.440 0.895 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222668429 775411163 /nfs/dbraw/zinc/41/11/63/775411163.db2.gz KKWDICLTPYAJEZ-RBSFLKMASA-N 1 3 316.440 0.895 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222668427 775411493 /nfs/dbraw/zinc/41/14/93/775411493.db2.gz KKWDICLTPYAJEZ-KFWWJZLASA-N 1 3 316.440 0.895 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222668427 775411500 /nfs/dbraw/zinc/41/15/00/775411500.db2.gz KKWDICLTPYAJEZ-KFWWJZLASA-N 1 3 316.440 0.895 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226792481 775878275 /nfs/dbraw/zinc/87/82/75/775878275.db2.gz RTBRWIJPNVSIPK-BFHYXJOUSA-N 1 3 324.469 0.622 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001227618324 775990860 /nfs/dbraw/zinc/99/08/60/775990860.db2.gz DZVHIAAOSDZXBE-JSGCOSHPSA-N 1 3 303.422 0.628 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(CCOCCO)CC1 ZINC001228064019 776042793 /nfs/dbraw/zinc/04/27/93/776042793.db2.gz GETQHQGDUKORSV-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC1CCN(CCOCCO)CC1 ZINC001228064019 776042800 /nfs/dbraw/zinc/04/28/00/776042800.db2.gz GETQHQGDUKORSV-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO Cn1ccc(CN2CCC(NC(=O)CC[NH+](C)C)CC2)cc1=O ZINC001228991508 776144823 /nfs/dbraw/zinc/14/48/23/776144823.db2.gz HFLNMCPTIWPPGV-UHFFFAOYSA-N 1 3 320.437 0.418 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C ZINC001229231245 776172356 /nfs/dbraw/zinc/17/23/56/776172356.db2.gz OUEHLATUTONOGA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC)C(N)=O ZINC001229239118 776173917 /nfs/dbraw/zinc/17/39/17/776173917.db2.gz XCHRDZRGTIEULC-MGPQQGTHSA-N 1 3 312.458 0.609 20 0 DCADHO COCCOCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262947 776271590 /nfs/dbraw/zinc/27/15/90/776271590.db2.gz YRTMJKMGPHMLFV-CQSZACIVSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262947 776271597 /nfs/dbraw/zinc/27/15/97/776271597.db2.gz YRTMJKMGPHMLFV-CQSZACIVSA-N 1 3 313.442 0.182 20 0 DCADHO Cc1cc(CN2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)n(C)n1 ZINC001277985318 945086153 /nfs/dbraw/zinc/08/61/53/945086153.db2.gz CIIGJNHINHPMEX-OKILXGFUSA-N 1 3 305.426 0.358 20 0 DCADHO Cc1cc(CN2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)n(C)n1 ZINC001277985318 945086163 /nfs/dbraw/zinc/08/61/63/945086163.db2.gz CIIGJNHINHPMEX-OKILXGFUSA-N 1 3 305.426 0.358 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CCc1ccnn1C)N(C)C ZINC001317652218 945145394 /nfs/dbraw/zinc/14/53/94/945145394.db2.gz GQQDFHCMURAFLR-OAHLLOKOSA-N 1 3 309.458 0.597 20 0 DCADHO CN1CCC[C@H](C[NH2+]C23CC(C(=O)NCc4cnc[nH]4)(C2)C3)C1 ZINC001278146196 945153915 /nfs/dbraw/zinc/15/39/15/945153915.db2.gz DWTACCUAWVZHOJ-NVPAJSRCSA-N 1 3 317.437 0.880 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN(C)C1CCC1 ZINC001278263266 945199608 /nfs/dbraw/zinc/19/96/08/945199608.db2.gz HNKCTTSGLRWUGP-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CN(CC[NH2+]CCO[C@H]1CC1(F)F)C(=O)[C@H]1CCCN1C ZINC001267355259 939432921 /nfs/dbraw/zinc/43/29/21/939432921.db2.gz MDKFBUFNYITJQQ-NEPJUHHUSA-N 1 3 305.369 0.553 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267386893 939445001 /nfs/dbraw/zinc/44/50/01/939445001.db2.gz XZORISNUQJGFGD-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001267386893 939445002 /nfs/dbraw/zinc/44/50/02/939445002.db2.gz XZORISNUQJGFGD-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)c1cc(CNCCN(C)C(=O)CC[NH+](C)C)ccn1 ZINC001267424522 939453444 /nfs/dbraw/zinc/45/34/44/939453444.db2.gz SMWVDDUJFBCFCD-UHFFFAOYSA-N 1 3 307.442 0.647 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001481236234 939658151 /nfs/dbraw/zinc/65/81/51/939658151.db2.gz LXAXKSKUGITDEO-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001481236234 939658152 /nfs/dbraw/zinc/65/81/52/939658152.db2.gz LXAXKSKUGITDEO-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001481251788 939674070 /nfs/dbraw/zinc/67/40/70/939674070.db2.gz FKPCKRJHKFNYAM-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001481251788 939674072 /nfs/dbraw/zinc/67/40/72/939674072.db2.gz FKPCKRJHKFNYAM-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001408845399 939693758 /nfs/dbraw/zinc/69/37/58/939693758.db2.gz WXMZLMCIFQXEMX-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc(CNCCC2CCN(C(=O)CC[NH+](C)C)CC2)nn1 ZINC001267914686 939704677 /nfs/dbraw/zinc/70/46/77/939704677.db2.gz KRSJPZWWFLKPML-UHFFFAOYSA-N 1 3 322.457 0.485 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314635 939742854 /nfs/dbraw/zinc/74/28/54/939742854.db2.gz JNTDTOJUPQGSCI-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481314635 939742857 /nfs/dbraw/zinc/74/28/57/939742857.db2.gz JNTDTOJUPQGSCI-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001481315297 939742919 /nfs/dbraw/zinc/74/29/19/939742919.db2.gz VMRRVOGXFZVUEL-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001481315297 939742920 /nfs/dbraw/zinc/74/29/20/939742920.db2.gz VMRRVOGXFZVUEL-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CCO)c2ccccc2)C1 ZINC001481370439 939761589 /nfs/dbraw/zinc/76/15/89/939761589.db2.gz FAVLYUPKGQNXOG-GOEBONIOSA-N 1 3 305.422 0.768 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481644347 939998169 /nfs/dbraw/zinc/99/81/69/939998169.db2.gz GZFZIYIDCOEIJS-WBMJQRKESA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481644347 939998172 /nfs/dbraw/zinc/99/81/72/939998172.db2.gz GZFZIYIDCOEIJS-WBMJQRKESA-N 1 3 315.433 0.628 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2CN(C[C@H]3CCCCO3)C2)C1 ZINC001481655074 940015790 /nfs/dbraw/zinc/01/57/90/940015790.db2.gz QKTMLPUTMVPZCZ-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(C[C@H]3CCCCO3)C2)C1 ZINC001481655074 940015793 /nfs/dbraw/zinc/01/57/93/940015793.db2.gz QKTMLPUTMVPZCZ-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001481997510 940202739 /nfs/dbraw/zinc/20/27/39/940202739.db2.gz XLOURUMANJJKCB-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO COc1cccc([C@@H](O)CNC2CN(C3CC[NH2+]CC3)C2)c1 ZINC001245989664 945307231 /nfs/dbraw/zinc/30/72/31/945307231.db2.gz MUGNWOVGBFYSBK-KRWDZBQOSA-N 1 3 305.422 0.754 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001268624690 940306916 /nfs/dbraw/zinc/30/69/16/940306916.db2.gz FOKNBYBBBYUNOF-AGKLADILSA-N 1 3 324.469 0.503 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001268624690 940306920 /nfs/dbraw/zinc/30/69/20/940306920.db2.gz FOKNBYBBBYUNOF-AGKLADILSA-N 1 3 324.469 0.503 20 0 DCADHO Cn1cc(CCN2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)cn1 ZINC001318299639 945312780 /nfs/dbraw/zinc/31/27/80/945312780.db2.gz IUIKEOJILMMGAO-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO Nc1cccc2c1CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246051338 945328216 /nfs/dbraw/zinc/32/82/16/945328216.db2.gz JMRWIGUCDLYCNB-CQSZACIVSA-N 1 3 305.422 0.492 20 0 DCADHO CCCOC[C@H](O)C[N@@H+]1C[C@H]2CNCC[C@@]2(C(=O)OCC)C1 ZINC001246046701 945328774 /nfs/dbraw/zinc/32/87/74/945328774.db2.gz ORQGKQZIYBXBSX-IIAWOOMASA-N 1 3 314.426 0.249 20 0 DCADHO CCCOC[C@H](O)C[N@H+]1C[C@H]2CNCC[C@@]2(C(=O)OCC)C1 ZINC001246046701 945328783 /nfs/dbraw/zinc/32/87/83/945328783.db2.gz ORQGKQZIYBXBSX-IIAWOOMASA-N 1 3 314.426 0.249 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246151649 945351191 /nfs/dbraw/zinc/35/11/91/945351191.db2.gz JOSGCVVSCQCXNF-ZWUHOBOKSA-N 1 3 311.426 0.169 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001270174824 940849319 /nfs/dbraw/zinc/84/93/19/940849319.db2.gz RMWPVYBXKOPFLV-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001270193223 940852876 /nfs/dbraw/zinc/85/28/76/940852876.db2.gz IAFGFEZMOPEGBM-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293323 940912259 /nfs/dbraw/zinc/91/22/59/940912259.db2.gz VCROAIYOJHIEBH-OLZOCXBDSA-N 1 3 324.469 0.574 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482303744 940943533 /nfs/dbraw/zinc/94/35/33/940943533.db2.gz IRPXBNPGDHWKJM-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482354089 941017410 /nfs/dbraw/zinc/01/74/10/941017410.db2.gz NQWKIVQPHANGOE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482369092 941025485 /nfs/dbraw/zinc/02/54/85/941025485.db2.gz UTRBBQLZRYRFQD-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)CC(=O)N1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001271084829 941255399 /nfs/dbraw/zinc/25/53/99/941255399.db2.gz QWOSFFGUCCKLEC-KRWDZBQOSA-N 1 3 310.486 0.814 20 0 DCADHO CCN(C)CC(=O)N1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001271084829 941255403 /nfs/dbraw/zinc/25/54/03/941255403.db2.gz QWOSFFGUCCKLEC-KRWDZBQOSA-N 1 3 310.486 0.814 20 0 DCADHO C[C@@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)c1ccccc1F ZINC001482764130 941660200 /nfs/dbraw/zinc/66/02/00/941660200.db2.gz KEJIVPPJKKKUKH-CHWSQXEVSA-N 1 3 311.401 0.905 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482925642 941713601 /nfs/dbraw/zinc/71/36/01/941713601.db2.gz UIKVOIPWPORCQS-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482925642 941713604 /nfs/dbraw/zinc/71/36/04/941713604.db2.gz UIKVOIPWPORCQS-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@@H](C)NC(=O)Cc2nc[nH]c2C)n1 ZINC001483188472 941927920 /nfs/dbraw/zinc/92/79/20/941927920.db2.gz JVEJLASLVDQXTP-GFCCVEGCSA-N 1 3 318.425 0.868 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001483228939 941953623 /nfs/dbraw/zinc/95/36/23/941953623.db2.gz SPZAGXQSCHNGND-GWCFXTLKSA-N 1 3 306.414 0.049 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905006845 941995605 /nfs/dbraw/zinc/99/56/05/941995605.db2.gz FOMRCVQEKXQJGP-PBHICJAKSA-N 1 3 322.453 0.271 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001483264051 942219693 /nfs/dbraw/zinc/21/96/93/942219693.db2.gz PNQUWLPHMDNAIC-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CN(C)CCOCC(F)F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483416368 942345694 /nfs/dbraw/zinc/34/56/94/942345694.db2.gz AOYBEOINHCMWTD-VXGBXAGGSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@H](CN(C)CCOCC(F)F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483416368 942345697 /nfs/dbraw/zinc/34/56/97/942345697.db2.gz AOYBEOINHCMWTD-VXGBXAGGSA-N 1 3 307.385 0.656 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001483508859 942395211 /nfs/dbraw/zinc/39/52/11/942395211.db2.gz COGKPUCHVXXOFO-UHFFFAOYSA-N 1 3 307.442 0.762 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066775 942426575 /nfs/dbraw/zinc/42/65/75/942426575.db2.gz SEFOLFRMZZZUAS-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066775 942426579 /nfs/dbraw/zinc/42/65/79/942426579.db2.gz SEFOLFRMZZZUAS-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001483579294 942438891 /nfs/dbraw/zinc/43/88/91/942438891.db2.gz HFTYZYRAPCURHO-UONOGXRCSA-N 1 3 324.469 0.609 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001413067230 942462664 /nfs/dbraw/zinc/46/26/64/942462664.db2.gz CNXMCXUMWHXYQI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001413069926 942468094 /nfs/dbraw/zinc/46/80/94/942468094.db2.gz GGWWWTLHWWGFDM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001413069926 942468095 /nfs/dbraw/zinc/46/80/95/942468095.db2.gz GGWWWTLHWWGFDM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]C[C@@H](O)COC)CC1 ZINC001422066877 942555304 /nfs/dbraw/zinc/55/53/04/942555304.db2.gz KKYNNPYAYGONTH-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC/C=C\Cl)CC[N@@H+]1C ZINC001272426934 942749641 /nfs/dbraw/zinc/74/96/41/942749641.db2.gz YDEJPNYSJDMHRI-ROHBXNCHSA-N 1 3 303.834 0.536 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNC/C=C\Cl)CC[N@H+]1C ZINC001272426934 942749644 /nfs/dbraw/zinc/74/96/44/942749644.db2.gz YDEJPNYSJDMHRI-ROHBXNCHSA-N 1 3 303.834 0.536 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001483942427 943041235 /nfs/dbraw/zinc/04/12/35/943041235.db2.gz MYVMLTYDNTXQBD-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001483945031 943043024 /nfs/dbraw/zinc/04/30/24/943043024.db2.gz MKNJKMKKMFZJFD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(CCc2cnn(C)c2)C1 ZINC001484065440 943130985 /nfs/dbraw/zinc/13/09/85/943130985.db2.gz VKBPHWWCFVBASV-QGZVFWFLSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(CCc2cnn(C)c2)C1 ZINC001484065440 943130993 /nfs/dbraw/zinc/13/09/93/943130993.db2.gz VKBPHWWCFVBASV-QGZVFWFLSA-N 1 3 321.469 0.885 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484146930 943163872 /nfs/dbraw/zinc/16/38/72/943163872.db2.gz JHAGJEVHYKNAGR-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484146930 943163876 /nfs/dbraw/zinc/16/38/76/943163876.db2.gz JHAGJEVHYKNAGR-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001484383715 943344133 /nfs/dbraw/zinc/34/41/33/943344133.db2.gz BZHTTZAWJDZWHO-CVEARBPZSA-N 1 3 321.469 0.907 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001484546867 943449001 /nfs/dbraw/zinc/44/90/01/943449001.db2.gz KTPDTPANJFMRRI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001484677558 943508891 /nfs/dbraw/zinc/50/88/91/943508891.db2.gz NTWLYQOACUGCGB-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001490897125 943585266 /nfs/dbraw/zinc/58/52/66/943585266.db2.gz DEPZDJIGMODFAH-IHRRRGAJSA-N 1 3 324.469 0.622 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001490941319 943683522 /nfs/dbraw/zinc/68/35/22/943683522.db2.gz PKEVNCFRAJRWLF-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2nccnc2C)C1 ZINC001490941319 943683523 /nfs/dbraw/zinc/68/35/23/943683523.db2.gz PKEVNCFRAJRWLF-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3cncn3C)C2)CCC1 ZINC001485094816 943695280 /nfs/dbraw/zinc/69/52/80/943695280.db2.gz VECIBIXKOSRMGO-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CCN1CC[C@H]([NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)C1=O ZINC001485110689 943701391 /nfs/dbraw/zinc/70/13/91/943701391.db2.gz SEMRVQYLNRGEFJ-NRXISQOPSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001491371200 943945381 /nfs/dbraw/zinc/94/53/81/943945381.db2.gz PNIUVJJNEOGKHH-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]([NH2+]CCF)[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001485638936 944045032 /nfs/dbraw/zinc/04/50/32/944045032.db2.gz MXPXIGWBBGVRPB-OCCSQVGLSA-N 1 3 301.406 0.646 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@H]2CC1 ZINC001276428228 944166045 /nfs/dbraw/zinc/16/60/45/944166045.db2.gz CXJTWQUSXAGCQR-XHSDSOJGSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C[C@@H]3CCCO3)C[C@H]2CC1 ZINC001276428228 944166049 /nfs/dbraw/zinc/16/60/49/944166049.db2.gz CXJTWQUSXAGCQR-XHSDSOJGSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C)C(=O)CN1[C@@H]2CC[C@H]1CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001276453690 944176101 /nfs/dbraw/zinc/17/61/01/944176101.db2.gz LQUUAALOMYMJQE-IYBDPMFKSA-N 1 3 322.497 0.955 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cc[nH]c(=O)c4)CC3)[C@@H]2C1 ZINC001276615031 944234313 /nfs/dbraw/zinc/23/43/13/944234313.db2.gz UCOFQLSYZJRLIH-ZIAGYGMSSA-N 1 3 316.405 0.429 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(Cc4cc[nH]c(=O)c4)CC3)[C@@H]2C1 ZINC001276615031 944234319 /nfs/dbraw/zinc/23/43/19/944234319.db2.gz UCOFQLSYZJRLIH-ZIAGYGMSSA-N 1 3 316.405 0.429 20 0 DCADHO COC(C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1)OC ZINC001276644014 944243010 /nfs/dbraw/zinc/24/30/10/944243010.db2.gz PLAUOQSLEHVNDD-UHFFFAOYSA-N 1 3 308.426 0.900 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N(C)C ZINC001485886781 944382241 /nfs/dbraw/zinc/38/22/41/944382241.db2.gz ZZPQFWWUHRUSSG-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N(C)C ZINC001485886781 944382250 /nfs/dbraw/zinc/38/22/50/944382250.db2.gz ZZPQFWWUHRUSSG-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCCC1 ZINC001485916911 944401916 /nfs/dbraw/zinc/40/19/16/944401916.db2.gz ZXDXCVGICBEZQN-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001486053203 944535582 /nfs/dbraw/zinc/53/55/82/944535582.db2.gz WDTZIZAHJXCQLQ-GDBMZVCRSA-N 1 3 317.433 0.910 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@H]1C ZINC001486090554 944549117 /nfs/dbraw/zinc/54/91/17/944549117.db2.gz BKNXTIIOBVZNGK-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1)CC(C)(C)C ZINC001486244424 944667570 /nfs/dbraw/zinc/66/75/70/944667570.db2.gz XMQRGSQWCXHTGA-GFCCVEGCSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317097118 944793216 /nfs/dbraw/zinc/79/32/16/944793216.db2.gz QDJGSXXNKUTEML-AJNGGQMLSA-N 1 3 313.442 0.105 20 0 DCADHO c1cncc([C@H]2NCC[C@@H]2C[NH2+]C2C[C@@H]3COC[C@H](C2)N3)c1 ZINC001246342297 945389106 /nfs/dbraw/zinc/38/91/06/945389106.db2.gz SGPGQGXYJZLPLE-AKBNIOSXSA-N 1 3 302.422 0.841 20 0 DCADHO COC(=O)C[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246358436 945392151 /nfs/dbraw/zinc/39/21/51/945392151.db2.gz PKADZBUBWBOOFT-OCCSQVGLSA-N 1 3 304.394 0.369 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](NC2(CCOC)CC[NH2+]CC2)CN1 ZINC001246388959 945401196 /nfs/dbraw/zinc/40/11/96/945401196.db2.gz HVIMKLWGFDAJFS-KGLIPLIRSA-N 1 3 313.442 0.418 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(CCOC)CCNCC2)CN1 ZINC001246388959 945401207 /nfs/dbraw/zinc/40/12/07/945401207.db2.gz HVIMKLWGFDAJFS-KGLIPLIRSA-N 1 3 313.442 0.418 20 0 DCADHO CCOC(=O)C1(C(=O)OCC)CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246447297 945412533 /nfs/dbraw/zinc/41/25/33/945412533.db2.gz VUXUHVXHAVNLTF-ZDUSSCGKSA-N 1 3 324.421 0.993 20 0 DCADHO CCOC(=O)C1(C(=O)OCC)CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246447297 945412537 /nfs/dbraw/zinc/41/25/37/945412537.db2.gz VUXUHVXHAVNLTF-ZDUSSCGKSA-N 1 3 324.421 0.993 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001486936084 945415797 /nfs/dbraw/zinc/41/57/97/945415797.db2.gz UXLJAHSKQCUXOD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001486936084 945415801 /nfs/dbraw/zinc/41/58/01/945415801.db2.gz UXLJAHSKQCUXOD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](N2CCC[C@H]([NH3+])CC2)C[C@H]1C(=O)OC ZINC001246548172 945429889 /nfs/dbraw/zinc/42/98/89/945429889.db2.gz SFUYCFBLGAKKQT-IGQOVBAYSA-N 1 3 312.410 0.931 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@](F)(C[NH3+])CC2)CN1 ZINC001246546915 945430152 /nfs/dbraw/zinc/43/01/52/945430152.db2.gz HKKUMAQYOLRGQP-VNHYZAJKSA-N 1 3 301.406 0.823 20 0 DCADHO NC[C@H]1C[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@@H]1O ZINC001246586187 945435711 /nfs/dbraw/zinc/43/57/11/945435711.db2.gz RJRNEYNUOAGJAK-ULQDDVLXSA-N 1 3 317.433 0.819 20 0 DCADHO NC[C@H]1C[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@@H]1O ZINC001246586187 945435718 /nfs/dbraw/zinc/43/57/18/945435718.db2.gz RJRNEYNUOAGJAK-ULQDDVLXSA-N 1 3 317.433 0.819 20 0 DCADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CN1 ZINC001246792968 945492464 /nfs/dbraw/zinc/49/24/64/945492464.db2.gz GHMNKOXIWNGBHP-ABHRYQDASA-N 1 3 303.410 0.455 20 0 DCADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CN1 ZINC001246792968 945492469 /nfs/dbraw/zinc/49/24/69/945492469.db2.gz GHMNKOXIWNGBHP-ABHRYQDASA-N 1 3 303.410 0.455 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246857716 945507330 /nfs/dbraw/zinc/50/73/30/945507330.db2.gz VJFMZWAIWFRGRP-CVEARBPZSA-N 1 3 303.406 0.708 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246857716 945507342 /nfs/dbraw/zinc/50/73/42/945507342.db2.gz VJFMZWAIWFRGRP-CVEARBPZSA-N 1 3 303.406 0.708 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCc1cnn(C)c1 ZINC001319243314 945530793 /nfs/dbraw/zinc/53/07/93/945530793.db2.gz CMZBAURPDJTWQD-CABCVRRESA-N 1 3 321.469 0.646 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CN1 ZINC001246977896 945535100 /nfs/dbraw/zinc/53/51/00/945535100.db2.gz RMEQLMFOASUXEH-FRFSOERESA-N 1 3 324.469 0.168 20 0 DCADHO O[C@H]1CC[NH2+]C[C@@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247759736 945573901 /nfs/dbraw/zinc/57/39/01/945573901.db2.gz VYYISJMBUIYZGO-GWCFXTLKSA-N 1 3 301.350 0.215 20 0 DCADHO O[C@H]1C[NH2+]CC[C@@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247759161 945575014 /nfs/dbraw/zinc/57/50/14/945575014.db2.gz WYFYTOQQIKPOAN-GWCFXTLKSA-N 1 3 301.350 0.215 20 0 DCADHO COc1nccc(C)c1-c1noc([C@H]2CNCC23C[NH2+]C3)n1 ZINC001247839032 945577145 /nfs/dbraw/zinc/57/71/45/945577145.db2.gz ZJPHNRYWKXPVLV-SNVBAGLBSA-N 1 3 301.350 0.725 20 0 DCADHO C[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]C[C@@H]1O ZINC001247826605 945577476 /nfs/dbraw/zinc/57/74/76/945577476.db2.gz HLAOJCACIUYHKW-XJKSGUPXSA-N 1 3 315.377 0.389 20 0 DCADHO c1cc(-c2noc([C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)n2)nc2c1CNCC2 ZINC001247920826 945583765 /nfs/dbraw/zinc/58/37/65/945583765.db2.gz MWMSOACFMVVFHY-LEWSCRJBSA-N 1 3 312.377 0.400 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001410094892 945882348 /nfs/dbraw/zinc/88/23/48/945882348.db2.gz ZLUNZJVSXHSXSU-TUVASFSCSA-N 1 3 309.454 0.800 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001410094892 945882357 /nfs/dbraw/zinc/88/23/57/945882357.db2.gz ZLUNZJVSXHSXSU-TUVASFSCSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCOCCO)C(C)(C)C1)N(C)C ZINC001278684953 946018346 /nfs/dbraw/zinc/01/83/46/946018346.db2.gz PCCJKPKTPLQPDV-KBPBESRZSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410220188 946050908 /nfs/dbraw/zinc/05/09/08/946050908.db2.gz FHOVFNRYCINKLZ-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410220188 946050919 /nfs/dbraw/zinc/05/09/19/946050919.db2.gz FHOVFNRYCINKLZ-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO Cn1c(=O)ccc2c1CC[C@H](NC[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253406107 946115599 /nfs/dbraw/zinc/11/55/99/946115599.db2.gz ZARIRARKXYFSAN-KBPBESRZSA-N 1 3 307.438 0.581 20 0 DCADHO CC(C)[C@@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001253763414 946176820 /nfs/dbraw/zinc/17/68/20/946176820.db2.gz WBCWLIMYODOKAN-UGUYLWEFSA-N 1 3 307.442 0.690 20 0 DCADHO CC(C)[C@@H](O)CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001253763414 946176830 /nfs/dbraw/zinc/17/68/30/946176830.db2.gz WBCWLIMYODOKAN-UGUYLWEFSA-N 1 3 307.442 0.690 20 0 DCADHO NC(=O)[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038799 946223825 /nfs/dbraw/zinc/22/38/25/946223825.db2.gz NXUWLLQAAQACFW-MRXNPFEDSA-N 1 3 317.433 0.821 20 0 DCADHO NC(=O)[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038799 946223835 /nfs/dbraw/zinc/22/38/35/946223835.db2.gz NXUWLLQAAQACFW-MRXNPFEDSA-N 1 3 317.433 0.821 20 0 DCADHO OC[C@@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@H]1O ZINC001254033907 946224391 /nfs/dbraw/zinc/22/43/91/946224391.db2.gz AIMWLMHRXZUOEG-DLBZAZTESA-N 1 3 320.433 0.299 20 0 DCADHO OC[C@@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C[C@H]1O ZINC001254033907 946224405 /nfs/dbraw/zinc/22/44/05/946224405.db2.gz AIMWLMHRXZUOEG-DLBZAZTESA-N 1 3 320.433 0.299 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001321231761 946228531 /nfs/dbraw/zinc/22/85/31/946228531.db2.gz IKVNBRBJVHDFLG-WFNIXHHISA-N 1 3 312.458 0.311 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001410393979 946301006 /nfs/dbraw/zinc/30/10/06/946301006.db2.gz XMOQSXICMZSQTO-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001410393979 946301016 /nfs/dbraw/zinc/30/10/16/946301016.db2.gz XMOQSXICMZSQTO-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001321421002 946325468 /nfs/dbraw/zinc/32/54/68/946325468.db2.gz VIQZRXHOFHXOIU-WSNITJDQSA-N 1 3 320.441 0.368 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001410418377 946333173 /nfs/dbraw/zinc/33/31/73/946333173.db2.gz HYAIBTHWPFGZHT-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H]1CCc2ncnn21 ZINC001410451687 946396962 /nfs/dbraw/zinc/39/69/62/946396962.db2.gz NWWKSLDGTSKAKB-DGCLKSJQSA-N 1 3 317.397 0.168 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1ccnn1C)[NH+](C)C ZINC001410475327 946464765 /nfs/dbraw/zinc/46/47/65/946464765.db2.gz OOMXHAMJDDVEBJ-HIFRSBDPSA-N 1 3 309.458 0.943 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCO1 ZINC001273316677 946495666 /nfs/dbraw/zinc/49/56/66/946495666.db2.gz UUWNEHIAMJSVHO-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO C[N@@H+]1CC[C@@H](n2nc(C(=O)NC3CCC3)c3c2CCNC3)C1 ZINC001255433849 946503847 /nfs/dbraw/zinc/50/38/47/946503847.db2.gz KWOINKYMJMWVKF-GFCCVEGCSA-N 1 3 303.410 0.688 20 0 DCADHO C[N@H+]1CC[C@@H](n2nc(C(=O)NC3CCC3)c3c2CCNC3)C1 ZINC001255433849 946503853 /nfs/dbraw/zinc/50/38/53/946503853.db2.gz KWOINKYMJMWVKF-GFCCVEGCSA-N 1 3 303.410 0.688 20 0 DCADHO COC(=O)[C@@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255586248 946531671 /nfs/dbraw/zinc/53/16/71/946531671.db2.gz BXHFGVIOBNQQTD-QWRGUYRKSA-N 1 3 301.387 0.333 20 0 DCADHO C[NH+]1CCC(n2nc(C(=O)NCC3CC3)c3c2CCNC3)CC1 ZINC001256207717 946597700 /nfs/dbraw/zinc/59/77/00/946597700.db2.gz PEZRCCLAMRAWIY-UHFFFAOYSA-N 1 3 317.437 0.935 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)CC1 ZINC001410612106 946651297 /nfs/dbraw/zinc/65/12/97/946651297.db2.gz BZFJNVWVBXPLPI-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001322525035 946708656 /nfs/dbraw/zinc/70/86/56/946708656.db2.gz OQJQDQVWJSDTSE-GJZGRUSLSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001322694763 946770543 /nfs/dbraw/zinc/77/05/43/946770543.db2.gz ULKUJWLBZBVMCZ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH]cn1)C(=O)NC1CC1 ZINC001322712012 946778459 /nfs/dbraw/zinc/77/84/59/946778459.db2.gz XMVMARFHVYYDCL-NSHDSACASA-N 1 3 307.398 0.057 20 0 DCADHO C[C@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410882409 947081846 /nfs/dbraw/zinc/08/18/46/947081846.db2.gz YZZXQYHDSBGQET-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1N(CCn1cncn1)CC2 ZINC001410894137 947099021 /nfs/dbraw/zinc/09/90/21/947099021.db2.gz HOPWKTHMZOPXQI-HOCLYGCPSA-N 1 3 320.441 0.343 20 0 DCADHO CC[C@@H](C)CN1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001446892291 1013072701 /nfs/dbraw/zinc/07/27/01/1013072701.db2.gz VHJZRRFCWWQHGM-CQSZACIVSA-N 1 3 311.470 0.927 20 0 DCADHO CCOCCN1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001324616158 947478116 /nfs/dbraw/zinc/47/81/16/947478116.db2.gz SVQOPYLPRXNROI-DOTOQJQBSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001411241149 947529661 /nfs/dbraw/zinc/52/96/61/947529661.db2.gz VNQWKMWZKDJTFR-YMAMQOFZSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001179486080 947850874 /nfs/dbraw/zinc/85/08/74/947850874.db2.gz HGFKYGPGRWRLIQ-KKUMJFAQSA-N 1 3 324.469 0.526 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580987 947877922 /nfs/dbraw/zinc/87/79/22/947877922.db2.gz YXLYASYQOKYZMZ-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC/C=C/Cl)CC[N@@H+]1C ZINC001326021316 948022697 /nfs/dbraw/zinc/02/26/97/948022697.db2.gz GZQHDLRXZQJVED-CNPQOGTOSA-N 1 3 317.861 0.880 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC/C=C/Cl)CC[N@H+]1C ZINC001326021316 948022705 /nfs/dbraw/zinc/02/27/05/948022705.db2.gz GZQHDLRXZQJVED-CNPQOGTOSA-N 1 3 317.861 0.880 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCCN2C[C@@H]2COCCO2)C1=O ZINC001273774567 948080391 /nfs/dbraw/zinc/08/03/91/948080391.db2.gz QFEIDBPSDYQZNP-GDBMZVCRSA-N 1 3 311.426 0.030 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326559667 948201207 /nfs/dbraw/zinc/20/12/07/948201207.db2.gz CQTKIRUPYSCRED-YOEHRIQHSA-N 1 3 324.469 0.372 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCO[C@H](CNC/C=C/Cl)C2)CC1 ZINC001327019319 948366125 /nfs/dbraw/zinc/36/61/25/948366125.db2.gz KGJYCESIBKEWHB-JBQRSBCVSA-N 1 3 315.845 0.898 20 0 DCADHO CN(CC(=O)N1CCO[C@H](C[NH2+]CCCO)C1)CC(C)(C)C ZINC001327033604 948372998 /nfs/dbraw/zinc/37/29/98/948372998.db2.gz DGPGVYWQVMRJCI-CQSZACIVSA-N 1 3 315.458 0.164 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001265058484 949258712 /nfs/dbraw/zinc/25/87/12/949258712.db2.gz VVPPCZYOTWCZPO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001265058484 949258733 /nfs/dbraw/zinc/25/87/33/949258733.db2.gz VVPPCZYOTWCZPO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001488832165 949294902 /nfs/dbraw/zinc/29/49/02/949294902.db2.gz SYYXJBWGEQMKHF-UMVBOHGHSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001488889872 949305893 /nfs/dbraw/zinc/30/58/93/949305893.db2.gz WJLHSOTYSNWHGI-HYVNUMGLSA-N 1 3 319.449 0.903 20 0 DCADHO CN1CCOC[C@@H]1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001364707483 949785594 /nfs/dbraw/zinc/78/55/94/949785594.db2.gz YRUGWFWGMHQFEA-CGZBRXJRSA-N 1 3 311.470 0.940 20 0 DCADHO CCN(CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CCNC1=O ZINC001266080507 950331909 /nfs/dbraw/zinc/33/19/09/950331909.db2.gz KZAHKELDXYGVOV-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCOCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001330427004 950383849 /nfs/dbraw/zinc/38/38/49/950383849.db2.gz IGFYPLIWCGIJEI-DZGCQCFKSA-N 1 3 324.425 0.584 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCOC)C1 ZINC001330425805 950385153 /nfs/dbraw/zinc/38/51/53/950385153.db2.gz NMPNFLRPKAAORU-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001279315284 950539959 /nfs/dbraw/zinc/53/99/59/950539959.db2.gz GNFULXQIQVFOAE-YMAMQOFZSA-N 1 3 324.469 0.432 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001330983773 950805960 /nfs/dbraw/zinc/80/59/60/950805960.db2.gz RLFSLYKZJAKDDV-HOTGVXAUSA-N 1 3 318.421 0.883 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001330983773 950805975 /nfs/dbraw/zinc/80/59/75/950805975.db2.gz RLFSLYKZJAKDDV-HOTGVXAUSA-N 1 3 318.421 0.883 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001490742764 951071504 /nfs/dbraw/zinc/07/15/04/951071504.db2.gz TZJLEYZLUYEUSA-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]CCCF)CCOCC1)N(C)C ZINC001274006985 951320257 /nfs/dbraw/zinc/32/02/57/951320257.db2.gz JUTMELPFTVSICZ-ZDUSSCGKSA-N 1 3 303.422 0.941 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001274038108 951346668 /nfs/dbraw/zinc/34/66/68/951346668.db2.gz VNAVZCYEJZHIEQ-HIDUINHUSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001274038108 951346679 /nfs/dbraw/zinc/34/66/79/951346679.db2.gz VNAVZCYEJZHIEQ-HIDUINHUSA-N 1 3 310.442 0.243 20 0 DCADHO COCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001365710769 951464375 /nfs/dbraw/zinc/46/43/75/951464375.db2.gz WHZFMEZXSQBSIB-CABCVRRESA-N 1 3 307.438 0.794 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001365819712 951581225 /nfs/dbraw/zinc/58/12/25/951581225.db2.gz MHIKWWKCEVVBOF-KFWWJZLASA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001365847936 951613928 /nfs/dbraw/zinc/61/39/28/951613928.db2.gz HPLKWVPCZFAVSN-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](F)CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001332521845 951679361 /nfs/dbraw/zinc/67/93/61/951679361.db2.gz JMDLQCAJMIBVKQ-CHWSQXEVSA-N 1 3 303.422 0.628 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001333043290 951893810 /nfs/dbraw/zinc/89/38/10/951893810.db2.gz SNYLLSJAHVQNEI-YMAMQOFZSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(CCCc3ccncc3)C[C@@H]21 ZINC001274973375 951913978 /nfs/dbraw/zinc/91/39/78/951913978.db2.gz VVKOPFSWJGUEIG-ROUUACIJSA-N 1 3 318.465 0.961 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCOCCO ZINC001275129527 951966430 /nfs/dbraw/zinc/96/64/30/951966430.db2.gz WTOFTXMFSXTIJA-LSDHHAIUSA-N 1 3 313.442 0.012 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCOCCO ZINC001275129527 951966437 /nfs/dbraw/zinc/96/64/37/951966437.db2.gz WTOFTXMFSXTIJA-LSDHHAIUSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001333421565 952052070 /nfs/dbraw/zinc/05/20/70/952052070.db2.gz AXJHMXCNTSBGTP-IHRRRGAJSA-N 1 3 310.442 0.077 20 0 DCADHO CN(CCC[NH2+]CC(=O)NCC1CCC1)C(=O)[C@@H]1CCCN1C ZINC001275915104 952521839 /nfs/dbraw/zinc/52/18/39/952521839.db2.gz JNFMHRDXSGSFKE-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCC[NH2+]CC(=O)NCC1CCC1)C(=O)[C@H]1CCCN1C ZINC001275915106 952521862 /nfs/dbraw/zinc/52/18/62/952521862.db2.gz JNFMHRDXSGSFKE-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)CC(C)(C)O)C[C@@H](C)O1 ZINC001335349989 952523189 /nfs/dbraw/zinc/52/31/89/952523189.db2.gz BZNZHQJASCTHFI-RBSFLKMASA-N 1 3 302.459 0.987 20 0 DCADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)NCc1cccnc1 ZINC001335941897 952623509 /nfs/dbraw/zinc/62/35/09/952623509.db2.gz NAHQWSSGMIOQFL-HNNXBMFYSA-N 1 3 306.410 0.134 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001276175062 952969995 /nfs/dbraw/zinc/96/99/95/952969995.db2.gz ZLPYGWOFWUWRGM-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001338643284 953039742 /nfs/dbraw/zinc/03/97/42/953039742.db2.gz HBDJVEKTCOAPGF-HOTGVXAUSA-N 1 3 322.453 0.537 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340179278 953152343 /nfs/dbraw/zinc/15/23/43/953152343.db2.gz GLJZKFWEFLMKRG-AWEZNQCLSA-N 1 3 312.458 0.230 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340702923 953188748 /nfs/dbraw/zinc/18/87/48/953188748.db2.gz FUCQATFLSICSJW-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+][C@H]1CCN(C)C1=O)C1CC1)C1CCC1 ZINC001366034929 953606258 /nfs/dbraw/zinc/60/62/58/953606258.db2.gz KZIJSWWERZGHCC-LSDHHAIUSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C(=O)CN[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001366042435 953617029 /nfs/dbraw/zinc/61/70/29/953617029.db2.gz ZXHDILMPRADLRQ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CN[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001366042435 953617034 /nfs/dbraw/zinc/61/70/34/953617034.db2.gz ZXHDILMPRADLRQ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001366058121 953633869 /nfs/dbraw/zinc/63/38/69/953633869.db2.gz HVEUWEKHGIEMHY-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366090725 953670039 /nfs/dbraw/zinc/67/00/39/953670039.db2.gz DNXCLDQCSTWJFA-ZFWWWQNUSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001366215526 953837961 /nfs/dbraw/zinc/83/79/61/953837961.db2.gz GSTFHMWMHHIQID-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21)N(C)C ZINC001366235756 953878360 /nfs/dbraw/zinc/87/83/60/953878360.db2.gz RBMOTGWPXNNXTH-OWYFMNJBSA-N 1 3 309.454 0.656 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21)N(C)C ZINC001366235756 953878376 /nfs/dbraw/zinc/87/83/76/953878376.db2.gz RBMOTGWPXNNXTH-OWYFMNJBSA-N 1 3 309.454 0.656 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001366272590 953935051 /nfs/dbraw/zinc/93/50/51/953935051.db2.gz GDPQASDUKUCVRY-YWPYICTPSA-N 1 3 305.426 0.720 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001366272590 953935055 /nfs/dbraw/zinc/93/50/55/953935055.db2.gz GDPQASDUKUCVRY-YWPYICTPSA-N 1 3 305.426 0.720 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)NC1CC1 ZINC001366288407 953964574 /nfs/dbraw/zinc/96/45/74/953964574.db2.gz MOTUQKIXFPGSOA-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001366502681 954286917 /nfs/dbraw/zinc/28/69/17/954286917.db2.gz APYLOLKOHZFVPQ-DZGCQCFKSA-N 1 3 322.453 0.710 20 0 DCADHO COc1cc(CN[C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001446942238 1013122129 /nfs/dbraw/zinc/12/21/29/1013122129.db2.gz QTFNQEJEQVQKMX-STQMWFEESA-N 1 3 324.425 0.962 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001349174071 954631059 /nfs/dbraw/zinc/63/10/59/954631059.db2.gz RZPNQCDBQBEEPL-UHFFFAOYSA-N 1 3 321.425 0.369 20 0 DCADHO CCN1CC[C@@H](N2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001366689823 954658624 /nfs/dbraw/zinc/65/86/24/954658624.db2.gz NQHIAIWHXCIWJN-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001366701703 954680737 /nfs/dbraw/zinc/68/07/37/954680737.db2.gz UYKMTWQKUGKIMI-GJZGRUSLSA-N 1 3 320.441 0.058 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001366701703 954680745 /nfs/dbraw/zinc/68/07/45/954680745.db2.gz UYKMTWQKUGKIMI-GJZGRUSLSA-N 1 3 320.441 0.058 20 0 DCADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001366832988 954905441 /nfs/dbraw/zinc/90/54/41/954905441.db2.gz XICCOWSLGKDUKH-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001366832988 954905446 /nfs/dbraw/zinc/90/54/46/954905446.db2.gz XICCOWSLGKDUKH-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001366832991 954907533 /nfs/dbraw/zinc/90/75/33/954907533.db2.gz XICCOWSLGKDUKH-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001366832991 954907542 /nfs/dbraw/zinc/90/75/42/954907542.db2.gz XICCOWSLGKDUKH-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CCN1CC[NH+](CC2CC2)CC1)C(=O)[C@@H]1CCCCN1C ZINC001366859615 954947949 /nfs/dbraw/zinc/94/79/49/954947949.db2.gz YXDYYKVILGYSCO-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001366884540 954992084 /nfs/dbraw/zinc/99/20/84/954992084.db2.gz RJURYVGGQQVFBL-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001366884540 954992090 /nfs/dbraw/zinc/99/20/90/954992090.db2.gz RJURYVGGQQVFBL-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001367061524 955278533 /nfs/dbraw/zinc/27/85/33/955278533.db2.gz RCQMZORETKMYRX-UONOGXRCSA-N 1 3 320.441 0.250 20 0 DCADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001367130160 955365762 /nfs/dbraw/zinc/36/57/62/955365762.db2.gz FMRWWAGMZSYLQQ-CABCVRRESA-N 1 3 322.453 0.710 20 0 DCADHO CCCN(C)CC(=O)N[C@@](C)(C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001367196397 955453052 /nfs/dbraw/zinc/45/30/52/955453052.db2.gz LFUWLOOJQDPDJJ-YOEHRIQHSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)CC1 ZINC001367219604 955472431 /nfs/dbraw/zinc/47/24/31/955472431.db2.gz DENBHOFZJYSHBR-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNCc1cn(C)nn1 ZINC001367252110 955530737 /nfs/dbraw/zinc/53/07/37/955530737.db2.gz ZZRWNAIHKRSZCM-UKRRQHHQSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNCc1cn(C)nn1 ZINC001367252110 955530748 /nfs/dbraw/zinc/53/07/48/955530748.db2.gz ZZRWNAIHKRSZCM-UKRRQHHQSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cnn(C)c1 ZINC001367274609 955570415 /nfs/dbraw/zinc/57/04/15/955570415.db2.gz WKWYLMXLQQFMRH-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C ZINC001367282648 955582288 /nfs/dbraw/zinc/58/22/88/955582288.db2.gz BLEPGFBDFCOXBB-HIFRSBDPSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001367285128 955588583 /nfs/dbraw/zinc/58/85/83/955588583.db2.gz HRROVLSLOBOWKN-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cccnc1NC(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC001357243116 957240590 /nfs/dbraw/zinc/24/05/90/957240590.db2.gz SURPZIAYZZSPCJ-CQSZACIVSA-N 1 3 306.410 0.765 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001293027965 957240814 /nfs/dbraw/zinc/24/08/14/957240814.db2.gz MLECOUGVNHKYOW-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001293602091 957403708 /nfs/dbraw/zinc/40/37/08/957403708.db2.gz NHVPVYXFHKWFFA-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001367448759 957819602 /nfs/dbraw/zinc/81/96/02/957819602.db2.gz OGRNSWOCHAFYCH-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1scnc1C)N(C)C ZINC001367619882 958192470 /nfs/dbraw/zinc/19/24/70/958192470.db2.gz HKSQELDRSDLVJB-RYUDHWBXSA-N 1 3 314.455 0.358 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001367620923 958197948 /nfs/dbraw/zinc/19/79/48/958197948.db2.gz RVKDBADUZZMLAT-CABCVRRESA-N 1 3 311.470 0.974 20 0 DCADHO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnnn1CC ZINC001367673396 958331004 /nfs/dbraw/zinc/33/10/04/958331004.db2.gz DEDNQMNSIBOPNI-BZPMIXESSA-N 1 3 309.414 0.707 20 0 DCADHO C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cn1ncnn1 ZINC001367673207 958331521 /nfs/dbraw/zinc/33/15/21/958331521.db2.gz BSTSKYJPRBJLAV-GFCCVEGCSA-N 1 3 306.414 0.738 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@@H](C)NC(=O)Cc1cnn2c1CCCC2 ZINC001367674593 958331886 /nfs/dbraw/zinc/33/18/86/958331886.db2.gz ILVOMNADAKOLEB-CHWSQXEVSA-N 1 3 308.426 0.891 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)CCC[NH+](C)C ZINC001298309085 958537445 /nfs/dbraw/zinc/53/74/45/958537445.db2.gz BKNCJSPVNOAEAA-ZRUQZJFASA-N 1 3 310.442 0.211 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001548923734 1013182322 /nfs/dbraw/zinc/18/23/22/1013182322.db2.gz ZOFJKSYTLDKVLE-FMKPAKJESA-N 1 3 300.406 0.734 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001367966779 958977592 /nfs/dbraw/zinc/97/75/92/958977592.db2.gz ANPVAESNGGCUMO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001367966779 958977601 /nfs/dbraw/zinc/97/76/01/958977601.db2.gz ANPVAESNGGCUMO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368059961 959162171 /nfs/dbraw/zinc/16/21/71/959162171.db2.gz CXPVNXNGGYUYDQ-CZUORRHYSA-N 1 3 310.442 0.126 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001491765705 959199229 /nfs/dbraw/zinc/19/92/29/959199229.db2.gz VRVUIKGKLUBSJO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)NCC1CC1 ZINC001376962972 959211647 /nfs/dbraw/zinc/21/16/47/959211647.db2.gz YRQSGZDJBFBPSW-OAHLLOKOSA-N 1 3 322.453 0.047 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001491790049 959230556 /nfs/dbraw/zinc/23/05/56/959230556.db2.gz ADBNEILOPASTLC-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCN2C)ncn1 ZINC001377010336 959309357 /nfs/dbraw/zinc/30/93/57/959309357.db2.gz HAOUDPQLURAZFW-SWLSCSKDSA-N 1 3 305.426 0.864 20 0 DCADHO C[C@@]1(C[NH2+]CC(=O)N2CCC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368198533 959436650 /nfs/dbraw/zinc/43/66/50/959436650.db2.gz PWSQMXPQVKQENV-INIZCTEOSA-N 1 3 319.409 0.013 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368251527 959520809 /nfs/dbraw/zinc/52/08/09/959520809.db2.gz PQWHDDPQBZQVNP-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368251527 959520823 /nfs/dbraw/zinc/52/08/23/959520823.db2.gz PQWHDDPQBZQVNP-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1nccn1C ZINC001492024001 959556920 /nfs/dbraw/zinc/55/69/20/959556920.db2.gz JMFOKASTHHRHCU-UKRRQHHQSA-N 1 3 319.453 0.746 20 0 DCADHO O=C(CN1CCCC1)NC[C@]1(O)CC[N@H+](Cc2cccnc2)C1 ZINC001368285706 959609721 /nfs/dbraw/zinc/60/97/21/959609721.db2.gz LYYDTVFQUYLHGM-QGZVFWFLSA-N 1 3 318.421 0.230 20 0 DCADHO O=C(CN1CCCC1)NC[C@]1(O)CC[N@@H+](Cc2cccnc2)C1 ZINC001368285706 959609726 /nfs/dbraw/zinc/60/97/26/959609726.db2.gz LYYDTVFQUYLHGM-QGZVFWFLSA-N 1 3 318.421 0.230 20 0 DCADHO COc1nccc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001492128613 959609964 /nfs/dbraw/zinc/60/99/64/959609964.db2.gz YQKWLWUSMGRDIG-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CN[C@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001492128613 959609971 /nfs/dbraw/zinc/60/99/71/959609971.db2.gz YQKWLWUSMGRDIG-CHWSQXEVSA-N 1 3 321.425 0.421 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001492144010 959634903 /nfs/dbraw/zinc/63/49/03/959634903.db2.gz OXGRKXLSROMNJR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001492144010 959634908 /nfs/dbraw/zinc/63/49/08/959634908.db2.gz OXGRKXLSROMNJR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001368343661 959703382 /nfs/dbraw/zinc/70/33/82/959703382.db2.gz FXIKULGISVEXTB-BTTYYORXSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001368412305 959827462 /nfs/dbraw/zinc/82/74/62/959827462.db2.gz DSOVRQOUDFZPQE-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001368412295 959827993 /nfs/dbraw/zinc/82/79/93/959827993.db2.gz DSOVRQOUDFZPQE-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368428891 959849004 /nfs/dbraw/zinc/84/90/04/959849004.db2.gz SCKFOLLSLRWHCN-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001377299089 959884564 /nfs/dbraw/zinc/88/45/64/959884564.db2.gz OVEUEDDQECJYIV-HZSPNIEDSA-N 1 3 314.474 0.534 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)COC)N(C)C ZINC001368456494 959891955 /nfs/dbraw/zinc/89/19/55/959891955.db2.gz RVWLOSHUBPMGPU-ILXRZTDVSA-N 1 3 315.458 0.305 20 0 DCADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@H]1CCCN1C ZINC001492439758 959957080 /nfs/dbraw/zinc/95/70/80/959957080.db2.gz MHJUNHDPEYPATL-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001368511163 959959686 /nfs/dbraw/zinc/95/96/86/959959686.db2.gz JREDKYXJHVHCDC-HNNXBMFYSA-N 1 3 323.441 0.077 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001368522762 959977194 /nfs/dbraw/zinc/97/71/94/959977194.db2.gz FOWISLCDULYCLC-GUTXKFCHSA-N 1 3 322.457 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001368533413 959991613 /nfs/dbraw/zinc/99/16/13/959991613.db2.gz FJHWDIDJIJLYLO-BYNSBNAKSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001368575538 960050396 /nfs/dbraw/zinc/05/03/96/960050396.db2.gz UXXWMVUDFBZDRF-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1)C(N)=O ZINC001368642938 960116424 /nfs/dbraw/zinc/11/64/24/960116424.db2.gz WNPSGVGJOIIHEY-MELADBBJSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001368652697 960126087 /nfs/dbraw/zinc/12/60/87/960126087.db2.gz MRXMZNRXGUTIAN-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001377466055 960145677 /nfs/dbraw/zinc/14/56/77/960145677.db2.gz GCNWSRVECTXASV-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001377466055 960145681 /nfs/dbraw/zinc/14/56/81/960145681.db2.gz GCNWSRVECTXASV-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001368809107 960302912 /nfs/dbraw/zinc/30/29/12/960302912.db2.gz QKWOFYNBYYNHMK-CABCVRRESA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001368809107 960302915 /nfs/dbraw/zinc/30/29/15/960302915.db2.gz QKWOFYNBYYNHMK-CABCVRRESA-N 1 3 313.442 0.012 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cncn1C ZINC001378251403 960430946 /nfs/dbraw/zinc/43/09/46/960430946.db2.gz KBPURGUWVDPXOM-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001377722011 960501104 /nfs/dbraw/zinc/50/11/04/960501104.db2.gz FRBPSYRLCVNTAN-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001377722011 960501109 /nfs/dbraw/zinc/50/11/09/960501109.db2.gz FRBPSYRLCVNTAN-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)C ZINC001378312911 960564026 /nfs/dbraw/zinc/56/40/26/960564026.db2.gz BWSJWUXLFIIVHP-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)C ZINC001378312911 960564036 /nfs/dbraw/zinc/56/40/36/960564036.db2.gz BWSJWUXLFIIVHP-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]([NH2+]CCc1cnn(C)c1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001377832447 960765901 /nfs/dbraw/zinc/76/59/01/960765901.db2.gz VXJAWXJPJBNGQE-KGLIPLIRSA-N 1 3 321.469 0.930 20 0 DCADHO CCCC[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001378448508 960777244 /nfs/dbraw/zinc/77/72/44/960777244.db2.gz ZNVTYOHRXYKDSA-GXTWGEPZSA-N 1 3 312.458 0.467 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001447034954 1013217688 /nfs/dbraw/zinc/21/76/88/1013217688.db2.gz TWWRRGFIEVUDFJ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001447034954 1013217692 /nfs/dbraw/zinc/21/76/92/1013217692.db2.gz TWWRRGFIEVUDFJ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001378788993 961480712 /nfs/dbraw/zinc/48/07/12/961480712.db2.gz NROBFZHNJIROFU-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001378802783 961506077 /nfs/dbraw/zinc/50/60/77/961506077.db2.gz JFKGLRNYVPFXJN-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001378842922 961586775 /nfs/dbraw/zinc/58/67/75/961586775.db2.gz IGESTWAQQZASHY-SYQHCUMBSA-N 1 3 312.458 0.321 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1cnnn1C ZINC001379030356 961918772 /nfs/dbraw/zinc/91/87/72/961918772.db2.gz CEJXRPBPCZLFCB-LSDHHAIUSA-N 1 3 324.473 0.632 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cccn1 ZINC001379045836 961965048 /nfs/dbraw/zinc/96/50/48/961965048.db2.gz MUDHRLUYNYFDGL-HOTGVXAUSA-N 1 3 321.469 0.955 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1)N(C)C ZINC001379803451 962060306 /nfs/dbraw/zinc/06/03/06/962060306.db2.gz OCRLTSAJOMWLOD-JKSUJKDBSA-N 1 3 307.438 0.936 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001379854935 962151627 /nfs/dbraw/zinc/15/16/27/962151627.db2.gz IDMHOBSGDSYKIT-ZIAGYGMSSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001379167138 962247781 /nfs/dbraw/zinc/24/77/81/962247781.db2.gz HFVPYPNKOGVDJY-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001430307741 1013343000 /nfs/dbraw/zinc/34/30/00/1013343000.db2.gz OCOXCKSOHIVUGC-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001430307741 1013343008 /nfs/dbraw/zinc/34/30/08/1013343008.db2.gz OCOXCKSOHIVUGC-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C(C)(C)C ZINC001380071261 962613247 /nfs/dbraw/zinc/61/32/47/962613247.db2.gz LHMYXTRAZFHXBO-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC001380085701 962639725 /nfs/dbraw/zinc/63/97/25/962639725.db2.gz QRAOHLMYAFOYDY-STQMWFEESA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC001380085701 962639741 /nfs/dbraw/zinc/63/97/41/962639741.db2.gz QRAOHLMYAFOYDY-STQMWFEESA-N 1 3 310.442 0.362 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001379416101 962877437 /nfs/dbraw/zinc/87/74/37/962877437.db2.gz JUDAJIARZINJCI-IAQYHMDHSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001379416101 962877443 /nfs/dbraw/zinc/87/74/43/962877443.db2.gz JUDAJIARZINJCI-IAQYHMDHSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001379416101 962877454 /nfs/dbraw/zinc/87/74/54/962877454.db2.gz JUDAJIARZINJCI-IAQYHMDHSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001379431647 962906919 /nfs/dbraw/zinc/90/69/19/962906919.db2.gz LQONSZLSZRKMNJ-CHWSQXEVSA-N 1 3 320.437 0.591 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)N[C@H]1CCc2ccc(F)cc21 ZINC001379465779 962982445 /nfs/dbraw/zinc/98/24/45/962982445.db2.gz FJICCNCBGHVCDZ-ZBFHGGJFSA-N 1 3 323.412 0.831 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379520099 963118499 /nfs/dbraw/zinc/11/84/99/963118499.db2.gz RCVNOZLDPUXVRX-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001379520099 963118512 /nfs/dbraw/zinc/11/85/12/963118512.db2.gz RCVNOZLDPUXVRX-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001380404531 963163738 /nfs/dbraw/zinc/16/37/38/963163738.db2.gz HCYCIYFSUMHBCV-HOCLYGCPSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)NCC2CC2)CN1C(=O)CC[NH+](C)C ZINC001379593398 963236048 /nfs/dbraw/zinc/23/60/48/963236048.db2.gz HKFKVOCOCZBSDQ-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)CC[NH+]1CCCCC1 ZINC001379603508 963254702 /nfs/dbraw/zinc/25/47/02/963254702.db2.gz ZIWSWNDDQFZYMF-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@H](C[N@H+](C)CCc1ccnn1C)NC(=O)CN(C)C1CCC1 ZINC001379680440 963375700 /nfs/dbraw/zinc/37/57/00/963375700.db2.gz ONHVTRCSPXJPCA-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](C[N@@H+](C)CCc1ccnn1C)NC(=O)CN(C)C1CCC1 ZINC001379680440 963375711 /nfs/dbraw/zinc/37/57/11/963375711.db2.gz ONHVTRCSPXJPCA-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)COC)C1 ZINC001380913559 963676886 /nfs/dbraw/zinc/67/68/86/963676886.db2.gz PPKVPWNMTTWOOV-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCc1cnn(C)c1 ZINC001381106603 963819057 /nfs/dbraw/zinc/81/90/57/963819057.db2.gz QPRLHLUATUGWTA-HIFRSBDPSA-N 1 3 319.453 0.698 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381110210 963822719 /nfs/dbraw/zinc/82/27/19/963822719.db2.gz ODDZVLQQBGFIRV-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C(=O)N1CCCC[C@H]1CNCC(N)=O)[NH+]1CCCCCC1 ZINC001381275161 963936289 /nfs/dbraw/zinc/93/62/89/963936289.db2.gz IKMKQAHJSTYIIO-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001375131981 964024758 /nfs/dbraw/zinc/02/47/58/964024758.db2.gz GJNGJIHZTDBLEQ-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001375131981 964024773 /nfs/dbraw/zinc/02/47/73/964024773.db2.gz GJNGJIHZTDBLEQ-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCc2cnn(C)c2)CC1)N(C)C ZINC001375438120 964400967 /nfs/dbraw/zinc/40/09/67/964400967.db2.gz SHHQYESVLTZWFX-CQSZACIVSA-N 1 3 307.442 0.541 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001369181040 964496036 /nfs/dbraw/zinc/49/60/36/964496036.db2.gz RULUTABNCZZORM-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001369181040 964496040 /nfs/dbraw/zinc/49/60/40/964496040.db2.gz RULUTABNCZZORM-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001369208132 964525744 /nfs/dbraw/zinc/52/57/44/964525744.db2.gz XLDYOFILDDJKCT-KGLIPLIRSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001369208132 964525754 /nfs/dbraw/zinc/52/57/54/964525754.db2.gz XLDYOFILDDJKCT-KGLIPLIRSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001369250528 964597714 /nfs/dbraw/zinc/59/77/14/964597714.db2.gz MWRGCXZOHZTZTE-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NCC1CC1 ZINC001369252277 964601256 /nfs/dbraw/zinc/60/12/56/964601256.db2.gz SLEMHRXNEZPVEY-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001373845697 964709114 /nfs/dbraw/zinc/70/91/14/964709114.db2.gz ONKVSCGVSSTNRE-UONOGXRCSA-N 1 3 324.469 0.752 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCCF)CC1 ZINC001375684558 964712377 /nfs/dbraw/zinc/71/23/77/964712377.db2.gz IOOBXPAPHOFAFC-HNNXBMFYSA-N 1 3 315.433 0.726 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCCF)CC1 ZINC001375684558 964712390 /nfs/dbraw/zinc/71/23/90/964712390.db2.gz IOOBXPAPHOFAFC-HNNXBMFYSA-N 1 3 315.433 0.726 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375767717 964814645 /nfs/dbraw/zinc/81/46/45/964814645.db2.gz QOSMDZKYDCGQLY-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375767717 964814655 /nfs/dbraw/zinc/81/46/55/964814655.db2.gz QOSMDZKYDCGQLY-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1cccc(C[NH2+][C@H](CO)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001369362749 964828328 /nfs/dbraw/zinc/82/83/28/964828328.db2.gz LOHHMTNWBASVID-WBVHZDCISA-N 1 3 319.449 0.904 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001373970177 964834753 /nfs/dbraw/zinc/83/47/53/964834753.db2.gz HNOZHBWQAHXQMQ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cncn2C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369394927 964888958 /nfs/dbraw/zinc/88/89/58/964888958.db2.gz BRLWUZUFALZTDN-ZIAGYGMSSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)NC1CC1 ZINC001374031811 964915855 /nfs/dbraw/zinc/91/58/55/964915855.db2.gz WHYNSQPIRQLTOT-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C[C@H]1C ZINC001369406081 964919949 /nfs/dbraw/zinc/91/99/49/964919949.db2.gz RCFBZAFFJJEAOB-CABCVRRESA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccnn1C ZINC001374070643 964974543 /nfs/dbraw/zinc/97/45/43/964974543.db2.gz DUGUBDLEUJJBBC-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CC2CCC2)C1 ZINC001369508353 965111381 /nfs/dbraw/zinc/11/13/81/965111381.db2.gz UUSCEGQHBYRXNK-GOEBONIOSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC2CCC2)C1 ZINC001369508353 965111389 /nfs/dbraw/zinc/11/13/89/965111389.db2.gz UUSCEGQHBYRXNK-GOEBONIOSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H](C(=O)NCCN1CC[NH+](CC2CCC2)CC1)N(C)C ZINC001376070589 965157324 /nfs/dbraw/zinc/15/73/24/965157324.db2.gz FGIGSIAYCOYDDJ-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCC2CC2)C1)N(C)C ZINC001376082597 965175338 /nfs/dbraw/zinc/17/53/38/965175338.db2.gz VRAXPLKKKGDJMR-WBVHZDCISA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1)N(C)C ZINC001376082597 965175344 /nfs/dbraw/zinc/17/53/44/965175344.db2.gz VRAXPLKKKGDJMR-WBVHZDCISA-N 1 3 311.470 0.926 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001374275877 965213672 /nfs/dbraw/zinc/21/36/72/965213672.db2.gz KPDAEWMCIUFDFM-NWDGAFQWSA-N 1 3 322.457 0.952 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001374310141 965260876 /nfs/dbraw/zinc/26/08/76/965260876.db2.gz CTERSXKUIBUTFM-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(=O)NC ZINC001374396043 965338340 /nfs/dbraw/zinc/33/83/40/965338340.db2.gz MBRUJJWBDZNEBW-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(=O)NC ZINC001374396043 965338349 /nfs/dbraw/zinc/33/83/49/965338349.db2.gz MBRUJJWBDZNEBW-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)NC ZINC001374396042 965338665 /nfs/dbraw/zinc/33/86/65/965338665.db2.gz MBRUJJWBDZNEBW-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(=O)NC ZINC001374396042 965338674 /nfs/dbraw/zinc/33/86/74/965338674.db2.gz MBRUJJWBDZNEBW-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001369753592 965357263 /nfs/dbraw/zinc/35/72/63/965357263.db2.gz RWLOHIHBXASVPR-HIFRSBDPSA-N 1 3 322.457 0.626 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001376217655 965398689 /nfs/dbraw/zinc/39/86/89/965398689.db2.gz BNWZJVRGEJGVAI-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001376217655 965398696 /nfs/dbraw/zinc/39/86/96/965398696.db2.gz BNWZJVRGEJGVAI-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](CNC(=O)CN(C)C(C)C)C2CC2)C1=O ZINC001376284195 965478295 /nfs/dbraw/zinc/47/82/95/965478295.db2.gz ZQIMTJCRFXEWIG-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001374535535 965498421 /nfs/dbraw/zinc/49/84/21/965498421.db2.gz GCECQIGOUXPMJA-CJNGLKHVSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001374535535 965498425 /nfs/dbraw/zinc/49/84/25/965498425.db2.gz GCECQIGOUXPMJA-CJNGLKHVSA-N 1 3 317.449 0.970 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376369008 965580199 /nfs/dbraw/zinc/58/01/99/965580199.db2.gz TZJONRPYNOVPOB-JOCQHMNTSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001376369846 965582415 /nfs/dbraw/zinc/58/24/15/965582415.db2.gz BMNWLPDMJMHZDG-DZKIICNBSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001376373170 965585343 /nfs/dbraw/zinc/58/53/43/965585343.db2.gz SLVYSQJRARYUKK-YDHLFZDLSA-N 1 3 312.458 0.334 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cncc(C)c1)N(C)C ZINC001374671907 965737689 /nfs/dbraw/zinc/73/76/89/965737689.db2.gz QYSNQLHMCGLMPK-CABCVRRESA-N 1 3 308.426 0.297 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001376550975 965819933 /nfs/dbraw/zinc/81/99/33/965819933.db2.gz YMMNEBSAMFKDCQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860635 1013605695 /nfs/dbraw/zinc/60/56/95/1013605695.db2.gz BQHHQZJGWOHURM-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C(=O)CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001376600876 965876499 /nfs/dbraw/zinc/87/64/99/965876499.db2.gz HTCHCZQYKSWYDX-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001370273209 965943404 /nfs/dbraw/zinc/94/34/04/965943404.db2.gz LDBSVWGYJZABKI-LSDHHAIUSA-N 1 3 322.453 0.235 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)N2CCC2)C1 ZINC001374801567 965947437 /nfs/dbraw/zinc/94/74/37/965947437.db2.gz JDZCJEJJEDTSFC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC(=O)N2CCC2)C1 ZINC001374801567 965947445 /nfs/dbraw/zinc/94/74/45/965947445.db2.gz JDZCJEJJEDTSFC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001374849765 966030729 /nfs/dbraw/zinc/03/07/29/966030729.db2.gz PINYRJHSHWJVQK-KGLIPLIRSA-N 1 3 314.474 0.676 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001370359692 966045347 /nfs/dbraw/zinc/04/53/47/966045347.db2.gz BNHMWPPEYLKJHL-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001370359692 966045355 /nfs/dbraw/zinc/04/53/55/966045355.db2.gz BNHMWPPEYLKJHL-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001370388560 966071404 /nfs/dbraw/zinc/07/14/04/966071404.db2.gz AOIUNLVEXBRRAE-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001370518233 966205068 /nfs/dbraw/zinc/20/50/68/966205068.db2.gz OQAGENLPAQCEOV-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001370713028 966407444 /nfs/dbraw/zinc/40/74/44/966407444.db2.gz MWZBMVLQKPRBJA-CRWXNKLISA-N 1 3 310.442 0.040 20 0 DCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001381467717 966441374 /nfs/dbraw/zinc/44/13/74/966441374.db2.gz DMXSYYBAJHZCIR-CQSZACIVSA-N 1 3 324.473 0.730 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)CN1C(=O)CC[NH+](C)C ZINC001370898020 966573544 /nfs/dbraw/zinc/57/35/44/966573544.db2.gz SLMGCGPKMFKDFF-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001447942999 1013663923 /nfs/dbraw/zinc/66/39/23/1013663923.db2.gz RQOBLJTYMJHBHE-PESDSKBTSA-N 1 3 324.425 0.319 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001382029971 966876865 /nfs/dbraw/zinc/87/68/65/966876865.db2.gz IGGMIDWZPGZTHI-CABCVRRESA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001382029971 966876875 /nfs/dbraw/zinc/87/68/75/966876875.db2.gz IGGMIDWZPGZTHI-CABCVRRESA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)NC1CC1 ZINC001371474800 967022795 /nfs/dbraw/zinc/02/27/95/967022795.db2.gz OBWPTYAKUOVQJN-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001371495652 967040766 /nfs/dbraw/zinc/04/07/66/967040766.db2.gz BNQXWKSTFGGCQN-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001371495652 967040775 /nfs/dbraw/zinc/04/07/75/967040775.db2.gz BNQXWKSTFGGCQN-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001382311721 967201869 /nfs/dbraw/zinc/20/18/69/967201869.db2.gz IPLSTYLCBKBOSH-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO COc1cncc(C[NH2+][C@H](C)CCNC(=O)CN2CCCC2)n1 ZINC001371884946 967418267 /nfs/dbraw/zinc/41/82/67/967418267.db2.gz WKAFCTZGGANCMJ-CYBMUJFWSA-N 1 3 321.425 0.565 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1)N(C)C ZINC001382590840 967524895 /nfs/dbraw/zinc/52/48/95/967524895.db2.gz QWEPNIRKKGZRKZ-YMAMQOFZSA-N 1 3 307.442 0.802 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1ccnn1C ZINC001371999936 967535957 /nfs/dbraw/zinc/53/59/57/967535957.db2.gz ZYWSFMSPGMBSDU-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1ccnn1C ZINC001371999936 967535961 /nfs/dbraw/zinc/53/59/61/967535961.db2.gz ZYWSFMSPGMBSDU-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001372015288 967563604 /nfs/dbraw/zinc/56/36/04/967563604.db2.gz RWCALLLYIPJYIT-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001372070948 967623892 /nfs/dbraw/zinc/62/38/92/967623892.db2.gz LVDXKOHKDPKZNU-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001372070948 967623897 /nfs/dbraw/zinc/62/38/97/967623897.db2.gz LVDXKOHKDPKZNU-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372255192 967798188 /nfs/dbraw/zinc/79/81/88/967798188.db2.gz OOAMKAMNLNPTPQ-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO COC[C@H](C)N(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372810527 968407551 /nfs/dbraw/zinc/40/75/51/968407551.db2.gz VSMGSFLPASANPC-BBRMVZONSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001372988924 968600206 /nfs/dbraw/zinc/60/02/06/968600206.db2.gz VDYIYRUIOBNCDG-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373028755 968646472 /nfs/dbraw/zinc/64/64/72/968646472.db2.gz HSRFJLMVHLURDH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001373293099 968909361 /nfs/dbraw/zinc/90/93/61/968909361.db2.gz NSZYQGZMCQQQSX-CQSZACIVSA-N 1 3 307.442 0.652 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001431310056 1013990521 /nfs/dbraw/zinc/99/05/21/1013990521.db2.gz HRPVFUVCHTWZQZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001448777918 1014035414 /nfs/dbraw/zinc/03/54/14/1014035414.db2.gz FDDTYGLXWQLPBV-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001448777918 1014035418 /nfs/dbraw/zinc/03/54/18/1014035418.db2.gz FDDTYGLXWQLPBV-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549121601 1014139262 /nfs/dbraw/zinc/13/92/62/1014139262.db2.gz HRFRXRCLVLOTKE-UKPHBRMFSA-N 1 3 301.390 0.226 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCCC2)C[C@H]1C ZINC001449022596 1014139465 /nfs/dbraw/zinc/13/94/65/1014139465.db2.gz VYVDAHCDUMUNOR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCCC2)C[C@H]1C ZINC001449022596 1014139470 /nfs/dbraw/zinc/13/94/70/1014139470.db2.gz VYVDAHCDUMUNOR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCC[NH2+]CC3)C2)nn1 ZINC001549123694 1014141126 /nfs/dbraw/zinc/14/11/26/1014141126.db2.gz FZJSRELMWUPYRA-GXTWGEPZSA-N 1 3 306.414 0.290 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001449102436 1014194232 /nfs/dbraw/zinc/19/42/32/1014194232.db2.gz ZQOGRENRGHOMPM-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[NH2+]C23CCC3)N(C)C1 ZINC001549615372 1014350231 /nfs/dbraw/zinc/35/02/31/1014350231.db2.gz AKTAGOUTCNVGSF-MJBXVCDLSA-N 1 3 310.442 0.632 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC001449403519 1014462392 /nfs/dbraw/zinc/46/23/92/1014462392.db2.gz QPBXEXGTQVGRIH-RUXDESIVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449410248 1014463747 /nfs/dbraw/zinc/46/37/47/1014463747.db2.gz AFPWOFOTPYNTRO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449410248 1014463753 /nfs/dbraw/zinc/46/37/53/1014463753.db2.gz AFPWOFOTPYNTRO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001522922056 1014472654 /nfs/dbraw/zinc/47/26/54/1014472654.db2.gz LVKMNRAGYPOWAP-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001522974012 1014500487 /nfs/dbraw/zinc/50/04/87/1014500487.db2.gz XMSCPMHZXFYSLQ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001522974012 1014500496 /nfs/dbraw/zinc/50/04/96/1014500496.db2.gz XMSCPMHZXFYSLQ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@@]34CCC[C@@H]3[NH2+]CC4)C2)nn1 ZINC001550095164 1014564786 /nfs/dbraw/zinc/56/47/86/1014564786.db2.gz AYHNMHKSQTYLSW-VNHYZAJKSA-N 1 3 304.398 0.042 20 0 DCADHO [NH3+][C@@H]1COCCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001550289964 1014652695 /nfs/dbraw/zinc/65/26/95/1014652695.db2.gz PSLVIAQKNGZKPV-GJZGRUSLSA-N 1 3 304.394 0.070 20 0 DCADHO [NH3+][C@@H]1COCC[C@@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550290240 1014655514 /nfs/dbraw/zinc/65/55/14/1014655514.db2.gz XUOUCAUSANMYKE-ZNMIVQPWSA-N 1 3 304.394 0.116 20 0 DCADHO [NH3+][C@@H]1CCOC[C@@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001550753001 1014836612 /nfs/dbraw/zinc/83/66/12/1014836612.db2.gz ADFMPJXFJMMSTC-ZNMIVQPWSA-N 1 3 304.394 0.116 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001450389901 1015110033 /nfs/dbraw/zinc/11/00/33/1015110033.db2.gz CICFBIGIMPCZQT-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001450389901 1015110042 /nfs/dbraw/zinc/11/00/42/1015110042.db2.gz CICFBIGIMPCZQT-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001525506193 1015151718 /nfs/dbraw/zinc/15/17/18/1015151718.db2.gz GKFWECLLZWIVJH-NMWPEEMBSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001385348152 986278342 /nfs/dbraw/zinc/27/83/42/986278342.db2.gz QPSVJZNLYFXZDV-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001385348152 986278357 /nfs/dbraw/zinc/27/83/57/986278357.db2.gz QPSVJZNLYFXZDV-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001385616443 986473562 /nfs/dbraw/zinc/47/35/62/986473562.db2.gz RWCALLLYIPJYIT-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001385629213 986483790 /nfs/dbraw/zinc/48/37/90/986483790.db2.gz UARIZLWUZGZBLY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001385629213 986483793 /nfs/dbraw/zinc/48/37/93/986483793.db2.gz UARIZLWUZGZBLY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001386017789 986757312 /nfs/dbraw/zinc/75/73/12/986757312.db2.gz DSEFPIXSTKHDQR-GASCZTMLSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001386062296 986791132 /nfs/dbraw/zinc/79/11/32/986791132.db2.gz ROHANMMLKIIPMK-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001386062296 986791142 /nfs/dbraw/zinc/79/11/42/986791142.db2.gz ROHANMMLKIIPMK-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001386191396 986935886 /nfs/dbraw/zinc/93/58/86/986935886.db2.gz PSIKZRXCSLMPJB-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001386191396 986935894 /nfs/dbraw/zinc/93/58/94/986935894.db2.gz PSIKZRXCSLMPJB-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001386208264 986955978 /nfs/dbraw/zinc/95/59/78/986955978.db2.gz DFKZKMXYTSBIGQ-TUVASFSCSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001386208264 986955984 /nfs/dbraw/zinc/95/59/84/986955984.db2.gz DFKZKMXYTSBIGQ-TUVASFSCSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001386343390 987091360 /nfs/dbraw/zinc/09/13/60/987091360.db2.gz DFKZKMXYTSBIGQ-KBXIAJHMSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001386343390 987091369 /nfs/dbraw/zinc/09/13/69/987091369.db2.gz DFKZKMXYTSBIGQ-KBXIAJHMSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001450674509 1015289900 /nfs/dbraw/zinc/28/99/00/1015289900.db2.gz GCJQTTJJSDVGPN-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NCC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001450674509 1015289904 /nfs/dbraw/zinc/28/99/04/1015289904.db2.gz GCJQTTJJSDVGPN-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2)c1ccccc1 ZINC001552198672 1015317837 /nfs/dbraw/zinc/31/78/37/1015317837.db2.gz WQFCUGOTQQKXJM-INMHGKMJSA-N 1 3 303.406 0.642 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001387886384 988254140 /nfs/dbraw/zinc/25/41/40/988254140.db2.gz OOCWQAWUFCAEHJ-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001387886384 988254150 /nfs/dbraw/zinc/25/41/50/988254150.db2.gz OOCWQAWUFCAEHJ-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001387888315 988256401 /nfs/dbraw/zinc/25/64/01/988256401.db2.gz WFALUERUBAUJBP-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001387888315 988256410 /nfs/dbraw/zinc/25/64/10/988256410.db2.gz WFALUERUBAUJBP-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)CCCN1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001388648842 988474744 /nfs/dbraw/zinc/47/47/44/988474744.db2.gz ANLSCVNBNINTSB-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001390013149 989745481 /nfs/dbraw/zinc/74/54/81/989745481.db2.gz TVRASCGFORQOFY-OKILXGFUSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001390013149 989745484 /nfs/dbraw/zinc/74/54/84/989745484.db2.gz TVRASCGFORQOFY-OKILXGFUSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001390374320 990036554 /nfs/dbraw/zinc/03/65/54/990036554.db2.gz PSTDJHVEINMRLL-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001390374320 990036557 /nfs/dbraw/zinc/03/65/57/990036557.db2.gz PSTDJHVEINMRLL-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001390532557 990179945 /nfs/dbraw/zinc/17/99/45/990179945.db2.gz IFHOUBVCQXIPGH-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001390570309 990206633 /nfs/dbraw/zinc/20/66/33/990206633.db2.gz RKBKQNVBCSMTRW-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001390570309 990206639 /nfs/dbraw/zinc/20/66/39/990206639.db2.gz RKBKQNVBCSMTRW-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001390601522 990236265 /nfs/dbraw/zinc/23/62/65/990236265.db2.gz IXTBBPAYMHUJHM-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCc1ccnn1C ZINC001390844695 990432864 /nfs/dbraw/zinc/43/28/64/990432864.db2.gz MDZLRENKDLIXDF-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCc1ccnn1C ZINC001390844695 990432868 /nfs/dbraw/zinc/43/28/68/990432868.db2.gz MDZLRENKDLIXDF-AWEZNQCLSA-N 1 3 307.442 0.352 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001552956559 1015574707 /nfs/dbraw/zinc/57/47/07/1015574707.db2.gz REHMNFXINROUOE-OAGGEKHMSA-N 1 3 322.453 0.776 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001391366621 990784204 /nfs/dbraw/zinc/78/42/04/990784204.db2.gz XNPWBPFRGKPGGD-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001391638731 991043098 /nfs/dbraw/zinc/04/30/98/991043098.db2.gz VDOHZFQTMYNICF-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001391638731 991043102 /nfs/dbraw/zinc/04/31/02/991043102.db2.gz VDOHZFQTMYNICF-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001391689876 991100429 /nfs/dbraw/zinc/10/04/29/991100429.db2.gz XSBROXSMLMIGHD-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001391689876 991100437 /nfs/dbraw/zinc/10/04/37/991100437.db2.gz XSBROXSMLMIGHD-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC(=O)N1CCC1 ZINC001391716768 991127469 /nfs/dbraw/zinc/12/74/69/991127469.db2.gz CMHKRCYRCBRCDK-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N1CCC(CC[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001391812722 991196998 /nfs/dbraw/zinc/19/69/98/991196998.db2.gz CDYSWMLDVULTLA-TZMCWYRMSA-N 1 3 312.458 0.419 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001391935619 991302717 /nfs/dbraw/zinc/30/27/17/991302717.db2.gz MTADCDVHIDHMFI-ZIAGYGMSSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001391949382 991320532 /nfs/dbraw/zinc/32/05/32/991320532.db2.gz LXEKZAWLKDHZGV-ZDUSSCGKSA-N 1 3 305.426 0.358 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001392072066 991463761 /nfs/dbraw/zinc/46/37/61/991463761.db2.gz KULTXXCHJFIESI-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392126146 991523563 /nfs/dbraw/zinc/52/35/63/991523563.db2.gz SIGJZVUFVVLTTJ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392126146 991523575 /nfs/dbraw/zinc/52/35/75/991523575.db2.gz SIGJZVUFVVLTTJ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCN(C)C(=O)C12CCC[NH+]1CCC2)CCn1cccn1 ZINC001392291205 991705880 /nfs/dbraw/zinc/70/58/80/991705880.db2.gz WCYZQKUJXKCYLC-UHFFFAOYSA-N 1 3 319.453 0.902 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)C(=O)N(C)C ZINC001392794275 992402711 /nfs/dbraw/zinc/40/27/11/992402711.db2.gz MPZDUVIHORPJGC-JSGCOSHPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1C[C@@H](NCc2ccn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001393038691 992643969 /nfs/dbraw/zinc/64/39/69/992643969.db2.gz PWDZZBBVTKVVIM-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)N(C)C ZINC001393059327 992657546 /nfs/dbraw/zinc/65/75/46/992657546.db2.gz ZJQQLTVGNIYCJR-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC2CC2)C1 ZINC001393159040 992722066 /nfs/dbraw/zinc/72/20/66/992722066.db2.gz JAMWHADFNXGBNA-QGZVFWFLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)N1CCCC1 ZINC001393750237 993221734 /nfs/dbraw/zinc/22/17/34/993221734.db2.gz NROCMLUSFRIENT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCO)N(C)C ZINC001393870461 993309804 /nfs/dbraw/zinc/30/98/04/993309804.db2.gz OFLWPZBULVYILC-BZUAXINKSA-N 1 3 305.422 0.691 20 0 DCADHO CCn1nncc1C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001393907808 993336189 /nfs/dbraw/zinc/33/61/89/993336189.db2.gz NVGYXNMIHQMQJN-UHFFFAOYSA-N 1 3 322.457 0.623 20 0 DCADHO C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001393961611 993374552 /nfs/dbraw/zinc/37/45/52/993374552.db2.gz IBAHHVNJMVLWJA-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001399715174 993697131 /nfs/dbraw/zinc/69/71/31/993697131.db2.gz HATDJXMASWZWIR-ZDUSSCGKSA-N 1 3 321.425 0.211 20 0 DCADHO CN(CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001399715174 993697135 /nfs/dbraw/zinc/69/71/35/993697135.db2.gz HATDJXMASWZWIR-ZDUSSCGKSA-N 1 3 321.425 0.211 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001394494386 993765463 /nfs/dbraw/zinc/76/54/63/993765463.db2.gz FFSZCQWWAJHFFG-STQMWFEESA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001394536367 993807491 /nfs/dbraw/zinc/80/74/91/993807491.db2.gz IATRKKZGXSXQRT-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001394536367 993807495 /nfs/dbraw/zinc/80/74/95/993807495.db2.gz IATRKKZGXSXQRT-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394548658 993818240 /nfs/dbraw/zinc/81/82/40/993818240.db2.gz ARXFGRLPJRADBH-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394548658 993818244 /nfs/dbraw/zinc/81/82/44/993818244.db2.gz ARXFGRLPJRADBH-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001394559481 993827164 /nfs/dbraw/zinc/82/71/64/993827164.db2.gz MQCBSNYRCLFEIL-WFASDCNBSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001394559481 993827168 /nfs/dbraw/zinc/82/71/68/993827168.db2.gz MQCBSNYRCLFEIL-WFASDCNBSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001394559473 993827974 /nfs/dbraw/zinc/82/79/74/993827974.db2.gz MQCBSNYRCLFEIL-DOMZBBRYSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CN[C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001394559473 993827981 /nfs/dbraw/zinc/82/79/81/993827981.db2.gz MQCBSNYRCLFEIL-DOMZBBRYSA-N 1 3 305.426 0.673 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC/C=C/c2ccccc2)C1 ZINC001394653639 993975803 /nfs/dbraw/zinc/97/58/03/993975803.db2.gz BKGYSUWLPOKEDE-QBUOGWAXSA-N 1 3 317.433 0.718 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC/C=C/c2ccccc2)C1 ZINC001394653639 993975808 /nfs/dbraw/zinc/97/58/08/993975808.db2.gz BKGYSUWLPOKEDE-QBUOGWAXSA-N 1 3 317.433 0.718 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C[C@H]1C ZINC001394672791 994004048 /nfs/dbraw/zinc/00/40/48/994004048.db2.gz SIZKBWYQWFEIOA-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1[C@H](NCc2cncn2C)CCN1C(=O)CCC[NH+](C)C ZINC001394678638 994010135 /nfs/dbraw/zinc/01/01/35/994010135.db2.gz YEZLYXSSCUTNIF-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001400059099 994114199 /nfs/dbraw/zinc/11/41/99/994114199.db2.gz YMQUMVXKOWSNNH-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001400086102 994143031 /nfs/dbraw/zinc/14/30/31/994143031.db2.gz MLMPMIKRUSUPTK-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001400086102 994143039 /nfs/dbraw/zinc/14/30/39/994143039.db2.gz MLMPMIKRUSUPTK-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(CC(=O)NC3CC3)C2)C1 ZINC001400183370 994248437 /nfs/dbraw/zinc/24/84/37/994248437.db2.gz IVWQAVWUWYIKMB-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(CC(=O)NC3CC3)C2)C1 ZINC001400183370 994248448 /nfs/dbraw/zinc/24/84/48/994248448.db2.gz IVWQAVWUWYIKMB-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(=O)NC ZINC001400840672 994995117 /nfs/dbraw/zinc/99/51/17/994995117.db2.gz APELZQVYYDOVMJ-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001400850900 995006360 /nfs/dbraw/zinc/00/63/60/995006360.db2.gz KXNNFVANRAZAPG-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](C(=O)NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001492848327 995397623 /nfs/dbraw/zinc/39/76/23/995397623.db2.gz IZCJUPZAWLKISA-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001492848327 995397631 /nfs/dbraw/zinc/39/76/31/995397631.db2.gz IZCJUPZAWLKISA-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cncn1C ZINC001507092605 1015977731 /nfs/dbraw/zinc/97/77/31/1015977731.db2.gz ZGIUSECWRGPWQL-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001397277840 995902435 /nfs/dbraw/zinc/90/24/35/995902435.db2.gz CUWZLKPACFKHKA-BETUJISGSA-N 1 3 321.425 0.366 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001397444837 996003826 /nfs/dbraw/zinc/00/38/26/996003826.db2.gz BZKFSEYZZMTIFV-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)CC1 ZINC001398436233 996515657 /nfs/dbraw/zinc/51/56/57/996515657.db2.gz RJUTWUBJLLBHAR-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC(=O)N2CCC2)C2CC2)C1 ZINC001398457579 996526131 /nfs/dbraw/zinc/52/61/31/996526131.db2.gz RNCLMYTZKQQQRU-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001398562475 996574388 /nfs/dbraw/zinc/57/43/88/996574388.db2.gz NDACHDPVTMRJJW-RBSFLKMASA-N 1 3 307.442 0.743 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NCC1CC1 ZINC001398756120 996674695 /nfs/dbraw/zinc/67/46/95/996674695.db2.gz FVGDFHCYPLFVFI-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001399011186 996827429 /nfs/dbraw/zinc/82/74/29/996827429.db2.gz ASBRIDAPJSZHLW-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO COc1coc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001399099012 996961481 /nfs/dbraw/zinc/96/14/81/996961481.db2.gz DOUSKCIYQBPMCG-RYUDHWBXSA-N 1 3 323.393 0.194 20 0 DCADHO COc1coc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001399099012 996961496 /nfs/dbraw/zinc/96/14/96/996961496.db2.gz DOUSKCIYQBPMCG-RYUDHWBXSA-N 1 3 323.393 0.194 20 0 DCADHO C[C@H](NCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)C(N)=O ZINC001404313671 996962941 /nfs/dbraw/zinc/96/29/41/996962941.db2.gz GCKGSQNYLAXOHR-ZDUSSCGKSA-N 1 3 320.437 0.326 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001399222155 997096815 /nfs/dbraw/zinc/09/68/15/997096815.db2.gz IQUMJVBGMBXZGT-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001404562119 997237838 /nfs/dbraw/zinc/23/78/38/997237838.db2.gz QVHKPAYSQRJONI-KRWDZBQOSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001405147639 997857791 /nfs/dbraw/zinc/85/77/91/997857791.db2.gz NNASKAQVCJTRJD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001405301186 998083325 /nfs/dbraw/zinc/08/33/25/998083325.db2.gz JKQBEMSWRADWTH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001507251519 1016183886 /nfs/dbraw/zinc/18/38/86/1016183886.db2.gz DNCSWVOQDAUDKI-RDJZCZTQSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507251519 1016183890 /nfs/dbraw/zinc/18/38/90/1016183890.db2.gz DNCSWVOQDAUDKI-RDJZCZTQSA-N 1 3 319.449 0.904 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001505400530 1016212498 /nfs/dbraw/zinc/21/24/98/1016212498.db2.gz TVSHOBCUDSXKJS-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001505400530 1016212505 /nfs/dbraw/zinc/21/25/05/1016212505.db2.gz TVSHOBCUDSXKJS-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507290280 1016221175 /nfs/dbraw/zinc/22/11/75/1016221175.db2.gz MLNGGRINJVAMDC-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)[C@@H]1C ZINC001507297378 1016228478 /nfs/dbraw/zinc/22/84/78/1016228478.db2.gz MPUIANMSXGTPCL-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCN2CCCC2=O)C1 ZINC001505537639 1016291968 /nfs/dbraw/zinc/29/19/68/1016291968.db2.gz HEDQJKMWEPOQDF-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CCCC2)CCC1 ZINC001401179594 1000251896 /nfs/dbraw/zinc/25/18/96/1000251896.db2.gz ITWVOIJIMHZJGI-CYBMUJFWSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H](C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C(=O)Cc1c[nH]cn1 ZINC001401239853 1000300347 /nfs/dbraw/zinc/30/03/47/1000300347.db2.gz FDRCVUXFPIZSRH-YPMHNXCESA-N 1 3 317.397 0.168 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001418672226 1000439784 /nfs/dbraw/zinc/43/97/84/1000439784.db2.gz OEUGRLMSQFESBY-KBUPBQIOSA-N 1 3 324.469 0.478 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001418703357 1000461545 /nfs/dbraw/zinc/46/15/45/1000461545.db2.gz UTOLFYCRKQHCAH-AULYBMBSSA-N 1 3 320.441 0.618 20 0 DCADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001401593828 1000527593 /nfs/dbraw/zinc/52/75/93/1000527593.db2.gz BSHLSLXHLURHAV-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401673397 1000612817 /nfs/dbraw/zinc/61/28/17/1000612817.db2.gz ZUQQRPFXYKCVMT-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401673397 1000612821 /nfs/dbraw/zinc/61/28/21/1000612821.db2.gz ZUQQRPFXYKCVMT-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001401679612 1000618953 /nfs/dbraw/zinc/61/89/53/1000618953.db2.gz IQRMWYNNWIUOIX-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001418941521 1000633908 /nfs/dbraw/zinc/63/39/08/1000633908.db2.gz HTNMKCJKGIUPQI-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001418941521 1000633910 /nfs/dbraw/zinc/63/39/10/1000633910.db2.gz HTNMKCJKGIUPQI-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001401845558 1000781184 /nfs/dbraw/zinc/78/11/84/1000781184.db2.gz SYJPZOVPAWTRON-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001419377198 1001008495 /nfs/dbraw/zinc/00/84/95/1001008495.db2.gz WGYVZZFFVYHTRX-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CCCC1)C(N)=O ZINC001402103282 1001017525 /nfs/dbraw/zinc/01/75/25/1001017525.db2.gz XRUPNOSHPSTGMH-WFASDCNBSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001419409797 1001028773 /nfs/dbraw/zinc/02/87/73/1001028773.db2.gz BLUBSQBCSYOBLQ-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001419433982 1001047149 /nfs/dbraw/zinc/04/71/49/1001047149.db2.gz VLSLOGDWCBKRRA-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCn1cncn1)C1CC1 ZINC001402384364 1001271084 /nfs/dbraw/zinc/27/10/84/1001271084.db2.gz YPEJUCQIWXWWFB-CQSZACIVSA-N 1 3 317.397 0.037 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001419743677 1001272712 /nfs/dbraw/zinc/27/27/12/1001272712.db2.gz SYCCLMWNSKOCLS-WBMJQRKESA-N 1 3 317.437 0.721 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N(C)C1CC1 ZINC001419761737 1001286751 /nfs/dbraw/zinc/28/67/51/1001286751.db2.gz WYWJGUXJQYWFFA-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N(C)C1CC1 ZINC001419761737 1001286758 /nfs/dbraw/zinc/28/67/58/1001286758.db2.gz WYWJGUXJQYWFFA-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1nccn1C ZINC001402418774 1001291836 /nfs/dbraw/zinc/29/18/36/1001291836.db2.gz OGXYAFUQOOTCNS-KBPBESRZSA-N 1 3 307.442 0.556 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1nccn1C ZINC001402418776 1001292491 /nfs/dbraw/zinc/29/24/91/1001292491.db2.gz OGXYAFUQOOTCNS-KGLIPLIRSA-N 1 3 307.442 0.556 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001402439001 1001308299 /nfs/dbraw/zinc/30/82/99/1001308299.db2.gz WZUICRFAOZTNGX-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN([C@@H](C)COC)C1 ZINC001402476484 1001346364 /nfs/dbraw/zinc/34/63/64/1001346364.db2.gz WKZTVYMVQACDOJ-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN([C@@H](C)COC)C1 ZINC001402476484 1001346368 /nfs/dbraw/zinc/34/63/68/1001346368.db2.gz WKZTVYMVQACDOJ-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001419897573 1001393381 /nfs/dbraw/zinc/39/33/81/1001393381.db2.gz PPVNRQQLVNEHON-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419913968 1001404017 /nfs/dbraw/zinc/40/40/17/1001404017.db2.gz ZEFJXHGBGYFBRE-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO COC[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001402640659 1001455637 /nfs/dbraw/zinc/45/56/37/1001455637.db2.gz BYIXCJXHDBNWEX-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001402640659 1001455640 /nfs/dbraw/zinc/45/56/40/1001455640.db2.gz BYIXCJXHDBNWEX-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001402700532 1001474993 /nfs/dbraw/zinc/47/49/93/1001474993.db2.gz QVRBFOSHFXPSSD-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001402886957 1001556955 /nfs/dbraw/zinc/55/69/55/1001556955.db2.gz PSTKHKLLJAQXHM-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402886957 1001556958 /nfs/dbraw/zinc/55/69/58/1001556958.db2.gz PSTKHKLLJAQXHM-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCn1cncn1 ZINC001402986172 1001619057 /nfs/dbraw/zinc/61/90/57/1001619057.db2.gz BYJCNYQVTZDJQX-ZDUSSCGKSA-N 1 3 308.430 0.247 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001403009463 1001629811 /nfs/dbraw/zinc/62/98/11/1001629811.db2.gz LZJAYQNNIGGOSC-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001403008981 1001630131 /nfs/dbraw/zinc/63/01/31/1001630131.db2.gz LIBWISPTPPTMMT-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CCn1cncn1 ZINC001403022178 1001637123 /nfs/dbraw/zinc/63/71/23/1001637123.db2.gz QVSIJHJTMZUAHR-CHWSQXEVSA-N 1 3 308.430 0.245 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001403052199 1001650714 /nfs/dbraw/zinc/65/07/14/1001650714.db2.gz URROMQAEEAMZKL-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NCC(=O)N(C)C1CC1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001403051171 1001650828 /nfs/dbraw/zinc/65/08/28/1001650828.db2.gz PQRRCWCMVPVPPX-CHWSQXEVSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001403057545 1001653693 /nfs/dbraw/zinc/65/36/93/1001653693.db2.gz CINKXXFGOIZYDW-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N[C@@H]2CCNC2=O)CC1 ZINC001403074232 1001662086 /nfs/dbraw/zinc/66/20/86/1001662086.db2.gz BIUWYPBVOQMBGG-TZMCWYRMSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1 ZINC001420131184 1001919355 /nfs/dbraw/zinc/91/93/55/1001919355.db2.gz FBULRTWIKOPTJN-OAHLLOKOSA-N 1 3 303.406 0.951 20 0 DCADHO C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NCc1nccn1C ZINC001420137352 1001925658 /nfs/dbraw/zinc/92/56/58/1001925658.db2.gz FAZNRPCGAOAKKE-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnc(C)s1)N(C)C ZINC001420142631 1001933982 /nfs/dbraw/zinc/93/39/82/1001933982.db2.gz FLEWXUPCMQQFAP-WCQYABFASA-N 1 3 314.455 0.358 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnc(C)s1)N(C)C ZINC001420169734 1001968511 /nfs/dbraw/zinc/96/85/11/1001968511.db2.gz FLEWXUPCMQQFAP-AAEUAGOBSA-N 1 3 314.455 0.358 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001420197698 1002023223 /nfs/dbraw/zinc/02/32/23/1002023223.db2.gz QBKPLAGVTTZVHA-OAHLLOKOSA-N 1 3 318.421 0.053 20 0 DCADHO C[C@H](NC[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001403514782 1002059246 /nfs/dbraw/zinc/05/92/46/1002059246.db2.gz YGBJXGVPLKOPBL-JSGCOSHPSA-N 1 3 322.453 0.315 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)CN(C)C(C)C ZINC001420251173 1002114864 /nfs/dbraw/zinc/11/48/64/1002114864.db2.gz KYGBYDRZAPWFOS-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](N[C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001403606627 1002200989 /nfs/dbraw/zinc/20/09/89/1002200989.db2.gz NWJFQQQCXWVNDS-OCCSQVGLSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001403632246 1002239805 /nfs/dbraw/zinc/23/98/05/1002239805.db2.gz YQDMEUKUUKTVJP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)Cc1ccccc1 ZINC001420343860 1002256563 /nfs/dbraw/zinc/25/65/63/1002256563.db2.gz KFDJBYNLDILIOM-IRXDYDNUSA-N 1 3 319.449 0.590 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)Cc1ccccc1 ZINC001420343860 1002256568 /nfs/dbraw/zinc/25/65/68/1002256568.db2.gz KFDJBYNLDILIOM-IRXDYDNUSA-N 1 3 319.449 0.590 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCc1ccnn1C ZINC001425079706 1002330851 /nfs/dbraw/zinc/33/08/51/1002330851.db2.gz UNEYDBTZHVKDEM-ZIAGYGMSSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCc1ccnn1C ZINC001425079706 1002330860 /nfs/dbraw/zinc/33/08/60/1002330860.db2.gz UNEYDBTZHVKDEM-ZIAGYGMSSA-N 1 3 307.442 0.351 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001508004714 1016611460 /nfs/dbraw/zinc/61/14/60/1016611460.db2.gz VPUDJFDOXYJGGK-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(CCc2cnn(C)c2)C1 ZINC001425248641 1002477734 /nfs/dbraw/zinc/47/77/34/1002477734.db2.gz FTQFDRDARCKURM-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO COC[C@H](O)CN1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001425252358 1002480375 /nfs/dbraw/zinc/48/03/75/1002480375.db2.gz ITDAQRQEHOSGNV-BPLDGKMQSA-N 1 3 315.458 0.016 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)CC(F)(F)F ZINC001403765129 1002489284 /nfs/dbraw/zinc/48/92/84/1002489284.db2.gz ABRCKWJSRTYUOV-MNOVXSKESA-N 1 3 311.348 0.299 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)CC(F)(F)F ZINC001403765129 1002489291 /nfs/dbraw/zinc/48/92/91/1002489291.db2.gz ABRCKWJSRTYUOV-MNOVXSKESA-N 1 3 311.348 0.299 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001403765407 1002490686 /nfs/dbraw/zinc/49/06/86/1002490686.db2.gz BUMCRXNAAYSZAZ-ZIAGYGMSSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001420513695 1002533004 /nfs/dbraw/zinc/53/30/04/1002533004.db2.gz ABAIHCLBKCKEND-HOCLYGCPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C)C(N)=O ZINC001403803179 1002543066 /nfs/dbraw/zinc/54/30/66/1002543066.db2.gz IXCORFJRMLAZFE-NEPJUHHUSA-N 1 3 310.442 0.029 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](N[C@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001403810273 1002555250 /nfs/dbraw/zinc/55/52/50/1002555250.db2.gz AUOGRICXAWBDMD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001403810273 1002555266 /nfs/dbraw/zinc/55/52/66/1002555266.db2.gz AUOGRICXAWBDMD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001403824370 1002576131 /nfs/dbraw/zinc/57/61/31/1002576131.db2.gz LFVCVOHQVDTMKH-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@@H](C)C(=O)NC)CC1)N(C)C ZINC001425444073 1002680872 /nfs/dbraw/zinc/68/08/72/1002680872.db2.gz ZRGIJLQPNXQNLZ-GXTWGEPZSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@@H](C)C(=O)NC)CC1)N(C)C ZINC001425444073 1002680880 /nfs/dbraw/zinc/68/08/80/1002680880.db2.gz ZRGIJLQPNXQNLZ-GXTWGEPZSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001505883487 1016655750 /nfs/dbraw/zinc/65/57/50/1016655750.db2.gz MTRILZAOPJZDIN-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001505883487 1016655753 /nfs/dbraw/zinc/65/57/53/1016655753.db2.gz MTRILZAOPJZDIN-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C)C(N)=O ZINC001403953043 1002789481 /nfs/dbraw/zinc/78/94/81/1002789481.db2.gz CGALCVFPUSYETI-NWDGAFQWSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001420712842 1002835108 /nfs/dbraw/zinc/83/51/08/1002835108.db2.gz BODZOPUOUIRQAY-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001420712842 1002835117 /nfs/dbraw/zinc/83/51/17/1002835117.db2.gz BODZOPUOUIRQAY-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001403977494 1002837374 /nfs/dbraw/zinc/83/73/74/1002837374.db2.gz NLEHWPBJXIVJLW-QWHCGFSZSA-N 1 3 314.474 0.582 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)CCC[NH+](C)C)C1=O ZINC001420731805 1002878143 /nfs/dbraw/zinc/87/81/43/1002878143.db2.gz YXZHTRZIPJQWGY-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C2CC2)CCC1 ZINC001420747102 1002909067 /nfs/dbraw/zinc/90/90/67/1002909067.db2.gz ZFHPXCUKOVNOHA-KGLIPLIRSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001425694703 1002967373 /nfs/dbraw/zinc/96/73/73/1002967373.db2.gz KUFLPCWISUHLQQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCc1cccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001425839778 1003169730 /nfs/dbraw/zinc/16/97/30/1003169730.db2.gz NINWZURYIAZPKW-SJORKVTESA-N 1 3 319.449 0.767 20 0 DCADHO CCc1cccc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001425839778 1003169735 /nfs/dbraw/zinc/16/97/35/1003169735.db2.gz NINWZURYIAZPKW-SJORKVTESA-N 1 3 319.449 0.767 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)[C@H]2CCNC2=O)CC1 ZINC001420965053 1003180343 /nfs/dbraw/zinc/18/03/43/1003180343.db2.gz LPWLFXCDHBKSDD-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)[C@H]2CCNC2=O)CC1 ZINC001420965053 1003180346 /nfs/dbraw/zinc/18/03/46/1003180346.db2.gz LPWLFXCDHBKSDD-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001420991349 1003213617 /nfs/dbraw/zinc/21/36/17/1003213617.db2.gz CPGICKYLJGLKHL-HOCLYGCPSA-N 1 3 309.454 0.993 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)CC(C)C ZINC001405956329 1003221057 /nfs/dbraw/zinc/22/10/57/1003221057.db2.gz HUPVTYGVGZRCFE-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC2CCC2)C1)N(C)C ZINC001421378456 1003606976 /nfs/dbraw/zinc/60/69/76/1003606976.db2.gz PSXZCUZZWLZRKE-NVXWUHKLSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC2CCC2)C1)N(C)C ZINC001421378456 1003606982 /nfs/dbraw/zinc/60/69/82/1003606982.db2.gz PSXZCUZZWLZRKE-NVXWUHKLSA-N 1 3 311.470 0.926 20 0 DCADHO O=C(CN1CCCC1)NC[C@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC001421391513 1003617694 /nfs/dbraw/zinc/61/76/94/1003617694.db2.gz PXEBXBQCEDZMTC-QGZVFWFLSA-N 1 3 318.421 0.230 20 0 DCADHO O=C(CN1CCCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001421391513 1003617699 /nfs/dbraw/zinc/61/76/99/1003617699.db2.gz PXEBXBQCEDZMTC-QGZVFWFLSA-N 1 3 318.421 0.230 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001426207884 1003654512 /nfs/dbraw/zinc/65/45/12/1003654512.db2.gz JKNYEJPBACVTQC-HIFPTAJRSA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001428217043 1003769730 /nfs/dbraw/zinc/76/97/30/1003769730.db2.gz FTGMWXVALOMQFK-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001428217043 1003769733 /nfs/dbraw/zinc/76/97/33/1003769733.db2.gz FTGMWXVALOMQFK-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001406522262 1003787574 /nfs/dbraw/zinc/78/75/74/1003787574.db2.gz RFTREJJBAZMMRB-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001406531736 1003794849 /nfs/dbraw/zinc/79/48/49/1003794849.db2.gz IWAQOYKIUAFZMG-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406617920 1003931514 /nfs/dbraw/zinc/93/15/14/1003931514.db2.gz SFYKOZZORYPOPE-BFHYXJOUSA-N 1 3 308.430 0.055 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406617920 1003931521 /nfs/dbraw/zinc/93/15/21/1003931521.db2.gz SFYKOZZORYPOPE-BFHYXJOUSA-N 1 3 308.430 0.055 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001428449546 1003938017 /nfs/dbraw/zinc/93/80/17/1003938017.db2.gz PFVHXATUIQDMFW-HALDLXJZSA-N 1 3 324.469 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001428449546 1003938026 /nfs/dbraw/zinc/93/80/26/1003938026.db2.gz PFVHXATUIQDMFW-HALDLXJZSA-N 1 3 324.469 0.241 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001406710418 1004029544 /nfs/dbraw/zinc/02/95/44/1004029544.db2.gz WBJQRAAMITUUSN-ZBFHGGJFSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001406710418 1004029555 /nfs/dbraw/zinc/02/95/55/1004029555.db2.gz WBJQRAAMITUUSN-ZBFHGGJFSA-N 1 3 321.469 0.888 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001406786169 1004096373 /nfs/dbraw/zinc/09/63/73/1004096373.db2.gz PZDWZQCJCKMKAV-AWEZNQCLSA-N 1 3 322.453 0.091 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CCCC1 ZINC001407136471 1004411960 /nfs/dbraw/zinc/41/19/60/1004411960.db2.gz AIHWOXQPYMPHCV-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CCCC1 ZINC001407136473 1004412423 /nfs/dbraw/zinc/41/24/23/1004412423.db2.gz AIHWOXQPYMPHCV-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)N1CCC1)C1CCCC1 ZINC001407153152 1004424769 /nfs/dbraw/zinc/42/47/69/1004424769.db2.gz ORLWVCXTLOZXOV-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001429447025 1004603586 /nfs/dbraw/zinc/60/35/86/1004603586.db2.gz JLEWGFBOXNCBFZ-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001429447025 1004603592 /nfs/dbraw/zinc/60/35/92/1004603592.db2.gz JLEWGFBOXNCBFZ-STQMWFEESA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001429493181 1004629873 /nfs/dbraw/zinc/62/98/73/1004629873.db2.gz COTPKMKWAIHTHV-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H](C(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001429681202 1004728864 /nfs/dbraw/zinc/72/88/64/1004728864.db2.gz XPKDIYWUZZQUSE-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCC[C@@](CO)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001407641510 1004781697 /nfs/dbraw/zinc/78/16/97/1004781697.db2.gz SIASDOLPYNXJOS-MRXNPFEDSA-N 1 3 323.441 0.021 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(=O)NC2CC2)CC1 ZINC001408091898 1005034429 /nfs/dbraw/zinc/03/44/29/1005034429.db2.gz SIUGBWNVEKONHX-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+]CC2CC2)CC1)N(C)C ZINC001408153924 1005078698 /nfs/dbraw/zinc/07/86/98/1005078698.db2.gz NNEFGFCCWDZBPY-OAHLLOKOSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCO)C2)C1 ZINC001408358157 1005175545 /nfs/dbraw/zinc/17/55/45/1005175545.db2.gz OGBFHKNAAFDDOD-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CCO)C2)C1 ZINC001408358157 1005175549 /nfs/dbraw/zinc/17/55/49/1005175549.db2.gz OGBFHKNAAFDDOD-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C)N(C)C ZINC001414332100 1005289625 /nfs/dbraw/zinc/28/96/25/1005289625.db2.gz XVVSAFIIQQKICP-RDBSUJKOSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001416005894 1005647060 /nfs/dbraw/zinc/64/70/60/1005647060.db2.gz FXRIOCMQJICABZ-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001416005894 1005647061 /nfs/dbraw/zinc/64/70/61/1005647061.db2.gz FXRIOCMQJICABZ-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001416488048 1005705638 /nfs/dbraw/zinc/70/56/38/1005705638.db2.gz YSPVLPNZVWWGBW-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001417345457 1005824243 /nfs/dbraw/zinc/82/42/43/1005824243.db2.gz XSJGELKDGPFSQJ-INIZCTEOSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001417769155 1005886804 /nfs/dbraw/zinc/88/68/04/1005886804.db2.gz KZPKPMWFNDWSHH-UXOAXIEHSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001417815889 1005895975 /nfs/dbraw/zinc/89/59/75/1005895975.db2.gz UMFQLMSVKXKLKY-RDBSUJKOSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001438676721 1006017042 /nfs/dbraw/zinc/01/70/42/1006017042.db2.gz AGFWTYBIPCBRKD-CYBMUJFWSA-N 1 3 320.437 0.326 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCCNC1=O)C(C)C ZINC001438836595 1006153959 /nfs/dbraw/zinc/15/39/59/1006153959.db2.gz BWKFAFXOZWEOQW-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCCNC1=O)C(C)C ZINC001438836594 1006155006 /nfs/dbraw/zinc/15/50/06/1006155006.db2.gz BWKFAFXOZWEOQW-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCc1cnn(C)c1 ZINC001418237751 1006221695 /nfs/dbraw/zinc/22/16/95/1006221695.db2.gz QGLUIDGKURCQTD-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO Cc1nc(CN[C@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001436672941 1006249983 /nfs/dbraw/zinc/24/99/83/1006249983.db2.gz RYSIOYWIVBWORN-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1)CC(C)(C)C ZINC001439018611 1006366010 /nfs/dbraw/zinc/36/60/10/1006366010.db2.gz GYYVFJYGFRIPLN-UONOGXRCSA-N 1 3 315.458 0.068 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)CC1 ZINC001436808165 1006381021 /nfs/dbraw/zinc/38/10/21/1006381021.db2.gz IIINYTRSLMQEMB-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439043441 1006400590 /nfs/dbraw/zinc/40/05/90/1006400590.db2.gz CXWFURYCYAADFB-HOCLYGCPSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439043441 1006400596 /nfs/dbraw/zinc/40/05/96/1006400596.db2.gz CXWFURYCYAADFB-HOCLYGCPSA-N 1 3 320.437 0.299 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001418348050 1006413214 /nfs/dbraw/zinc/41/32/14/1006413214.db2.gz YEWPGEAVLSFYLL-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439083481 1006452731 /nfs/dbraw/zinc/45/27/31/1006452731.db2.gz LXJRABBGCNNMCS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439083481 1006452734 /nfs/dbraw/zinc/45/27/34/1006452734.db2.gz LXJRABBGCNNMCS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001439108539 1006476965 /nfs/dbraw/zinc/47/69/65/1006476965.db2.gz ITBLESSNICSLJK-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001439108539 1006476974 /nfs/dbraw/zinc/47/69/74/1006476974.db2.gz ITBLESSNICSLJK-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNCC(=O)N(C)C)CC1 ZINC001439164475 1006531054 /nfs/dbraw/zinc/53/10/54/1006531054.db2.gz USICUSDOSZALFO-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001439183143 1006553243 /nfs/dbraw/zinc/55/32/43/1006553243.db2.gz XMYWNKABJPAOSE-CYBMUJFWSA-N 1 3 308.426 0.320 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001437134060 1006631426 /nfs/dbraw/zinc/63/14/26/1006631426.db2.gz VXPWIZOIRQBLBT-IUODEOHRSA-N 1 3 305.426 0.356 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)NC2CCCC2)C1 ZINC001437282864 1006801710 /nfs/dbraw/zinc/80/17/10/1006801710.db2.gz ZNRDYFHMCASXKK-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001437282821 1006803844 /nfs/dbraw/zinc/80/38/44/1006803844.db2.gz YTIKPYYQMWEFSF-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)NC(C)(C)C)C1CC1 ZINC001439475667 1006901028 /nfs/dbraw/zinc/90/10/28/1006901028.db2.gz VSYGVYGLIVTFFA-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)CCO[C@@H]1CC1(F)F ZINC001437541674 1007117054 /nfs/dbraw/zinc/11/70/54/1007117054.db2.gz PMBAFBYDINIFKZ-GFCCVEGCSA-N 1 3 317.380 0.554 20 0 DCADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)CCn1cccn1 ZINC001437606616 1007174860 /nfs/dbraw/zinc/17/48/60/1007174860.db2.gz HVYIGFKOXHDQRO-UHFFFAOYSA-N 1 3 319.453 0.950 20 0 DCADHO CC[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001439891331 1007288875 /nfs/dbraw/zinc/28/88/75/1007288875.db2.gz OKPOUMCEBBEFTB-CZUORRHYSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](O)CN1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001439967713 1007335595 /nfs/dbraw/zinc/33/55/95/1007335595.db2.gz HHWVADUUPBBGPB-STQMWFEESA-N 1 3 321.412 0.782 20 0 DCADHO C[C@H](O)CN1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001439967707 1007336971 /nfs/dbraw/zinc/33/69/71/1007336971.db2.gz HHWVADUUPBBGPB-QWHCGFSZSA-N 1 3 321.412 0.782 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001437956736 1007537663 /nfs/dbraw/zinc/53/76/63/1007537663.db2.gz XJAAKKYNKYCVAI-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001437956736 1007537653 /nfs/dbraw/zinc/53/76/53/1007537653.db2.gz XJAAKKYNKYCVAI-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001440207257 1007581184 /nfs/dbraw/zinc/58/11/84/1007581184.db2.gz KOZARNCNZDFUAQ-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC)CC1 ZINC001440223890 1007589958 /nfs/dbraw/zinc/58/99/58/1007589958.db2.gz SFEKCCNLHNJQQT-HDJSIYSDSA-N 1 3 312.458 0.339 20 0 DCADHO COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001440258101 1007618853 /nfs/dbraw/zinc/61/88/53/1007618853.db2.gz VYQNVZDIORVZPP-GJZGRUSLSA-N 1 3 313.442 0.134 20 0 DCADHO COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC001440258101 1007618861 /nfs/dbraw/zinc/61/88/61/1007618861.db2.gz VYQNVZDIORVZPP-GJZGRUSLSA-N 1 3 313.442 0.134 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001440292409 1007647486 /nfs/dbraw/zinc/64/74/86/1007647486.db2.gz RPGLBVFOQRANLD-OKILXGFUSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001440297924 1007650276 /nfs/dbraw/zinc/65/02/76/1007650276.db2.gz CGWNWFWNLZDRSQ-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H]1CCN(C)C1=O ZINC001438322993 1007820483 /nfs/dbraw/zinc/82/04/83/1007820483.db2.gz KEBKGNNIFYEBGQ-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCN(CC)C1=O ZINC001438340706 1007841507 /nfs/dbraw/zinc/84/15/07/1007841507.db2.gz FRFQFSRDTJSWJP-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1ccnn1C ZINC001438369581 1007863529 /nfs/dbraw/zinc/86/35/29/1007863529.db2.gz DAVRWNCIYLQGOI-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NC(C)(C)C ZINC001440588005 1007902547 /nfs/dbraw/zinc/90/25/47/1007902547.db2.gz IQJQHJKYLBAXAJ-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO COc1cc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)ccn1 ZINC001440592020 1007905795 /nfs/dbraw/zinc/90/57/95/1007905795.db2.gz PXTFCAXLJCHUPQ-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC)CC1 ZINC001438437341 1007907737 /nfs/dbraw/zinc/90/77/37/1007907737.db2.gz AGBCKHDJHITEEN-KKUMJFAQSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001440762890 1008004967 /nfs/dbraw/zinc/00/49/67/1008004967.db2.gz KYWSYPMEXGNMID-RUXDESIVSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](NCC(=O)N(C)C1CC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001440848758 1008066565 /nfs/dbraw/zinc/06/65/65/1008066565.db2.gz WDBRRFDALXIFIX-STQMWFEESA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(N(C)C(=O)CN(C)C(C)C)CC1 ZINC001440855775 1008071678 /nfs/dbraw/zinc/07/16/78/1008071678.db2.gz BABIJJBGNCYNQV-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001440999014 1008166446 /nfs/dbraw/zinc/16/64/46/1008166446.db2.gz UOJJOWTUCSBFLZ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001441271490 1008299269 /nfs/dbraw/zinc/29/92/69/1008299269.db2.gz MTANNEXEGKNDJO-GJZGRUSLSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001441271490 1008299275 /nfs/dbraw/zinc/29/92/75/1008299275.db2.gz MTANNEXEGKNDJO-GJZGRUSLSA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@@H](C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1)OC ZINC001441302545 1008313431 /nfs/dbraw/zinc/31/34/31/1008313431.db2.gz DDBRFDRAAHMDAU-ZQDZILKHSA-N 1 3 320.437 0.980 20 0 DCADHO CC[C@@H](C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1)OC ZINC001441302545 1008313436 /nfs/dbraw/zinc/31/34/36/1008313436.db2.gz DDBRFDRAAHMDAU-ZQDZILKHSA-N 1 3 320.437 0.980 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001441441111 1008356521 /nfs/dbraw/zinc/35/65/21/1008356521.db2.gz PEBWESNQUXOHQT-KKUMJFAQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)CC1 ZINC001441471931 1008367953 /nfs/dbraw/zinc/36/79/53/1008367953.db2.gz MWMUZWJFTSDCMZ-HNNXBMFYSA-N 1 3 324.469 0.419 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001441518156 1008386510 /nfs/dbraw/zinc/38/65/10/1008386510.db2.gz APYXNBBSUSFCTD-QLFBSQMISA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001441622130 1008427806 /nfs/dbraw/zinc/42/78/06/1008427806.db2.gz PCPGDJZYODVWGC-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C(=O)N1CCCC[C@@H]1CNCC(N)=O)[NH+]1CCCCCC1 ZINC001441654890 1008442466 /nfs/dbraw/zinc/44/24/66/1008442466.db2.gz IKMKQAHJSTYIIO-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NCc2ccccc2)CC[N@@H+]1C ZINC001441693839 1008461803 /nfs/dbraw/zinc/46/18/03/1008461803.db2.gz HBGKDGMOJWKWQJ-YESZJQIVSA-N 1 3 319.449 0.984 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NCc2ccccc2)CC[N@H+]1C ZINC001441693839 1008461806 /nfs/dbraw/zinc/46/18/06/1008461806.db2.gz HBGKDGMOJWKWQJ-YESZJQIVSA-N 1 3 319.449 0.984 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NCc2ccccc2)CC[N@@H+]1C ZINC001441693838 1008462276 /nfs/dbraw/zinc/46/22/76/1008462276.db2.gz HBGKDGMOJWKWQJ-IXDOHACOSA-N 1 3 319.449 0.984 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NCc2ccccc2)CC[N@H+]1C ZINC001441693838 1008462278 /nfs/dbraw/zinc/46/22/78/1008462278.db2.gz HBGKDGMOJWKWQJ-IXDOHACOSA-N 1 3 319.449 0.984 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001441801405 1008509874 /nfs/dbraw/zinc/50/98/74/1008509874.db2.gz SJCGLEZAAQGVFD-IRXDYDNUSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001441801405 1008509876 /nfs/dbraw/zinc/50/98/76/1008509876.db2.gz SJCGLEZAAQGVFD-IRXDYDNUSA-N 1 3 319.449 0.822 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N(C)CC2CC2)CN1C(=O)CC[NH+](C)C ZINC001441840906 1008555269 /nfs/dbraw/zinc/55/52/69/1008555269.db2.gz QBFMFJRRSNDECK-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1n[nH]c(C)n1 ZINC001421422433 1008563061 /nfs/dbraw/zinc/56/30/61/1008563061.db2.gz OVQYJUHGYZNATR-KBPBESRZSA-N 1 3 320.441 0.439 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001421426829 1008571952 /nfs/dbraw/zinc/57/19/52/1008571952.db2.gz TXTPZGVLYUGIFX-HOCLYGCPSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1n[nH]c(C2CC2)n1 ZINC001421483242 1008645569 /nfs/dbraw/zinc/64/55/69/1008645569.db2.gz AGDBDJGTQTXQAG-QWHCGFSZSA-N 1 3 320.441 0.618 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C2CC2)n1 ZINC001421483242 1008645572 /nfs/dbraw/zinc/64/55/72/1008645572.db2.gz AGDBDJGTQTXQAG-QWHCGFSZSA-N 1 3 320.441 0.618 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001453679079 1008660937 /nfs/dbraw/zinc/66/09/37/1008660937.db2.gz CLNZOZMOHNJOHJ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+][C@H]3CCNC3=O)CCCC2)C1 ZINC001421511872 1008676765 /nfs/dbraw/zinc/67/67/65/1008676765.db2.gz LJZCAISDTYAQFD-KGLIPLIRSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCC[C@@H](C)C1 ZINC001441938869 1008677917 /nfs/dbraw/zinc/67/79/17/1008677917.db2.gz MLYAJPWQBSKVSZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)n[nH]1 ZINC001441992709 1008769010 /nfs/dbraw/zinc/76/90/10/1008769010.db2.gz JKQXTOLNOXKQPZ-LBPRGKRZSA-N 1 3 322.457 0.828 20 0 DCADHO C[C@H](O)CN1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001421699735 1008956522 /nfs/dbraw/zinc/95/65/22/1008956522.db2.gz VLUWMLFMJXURIR-AWEZNQCLSA-N 1 3 319.449 0.993 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001454158861 1008965574 /nfs/dbraw/zinc/96/55/74/1008965574.db2.gz WJAKCWISYBGGLH-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001454158861 1008965582 /nfs/dbraw/zinc/96/55/82/1008965582.db2.gz WJAKCWISYBGGLH-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001433603378 1008989487 /nfs/dbraw/zinc/98/94/87/1008989487.db2.gz CRXBZPNNLZKZFV-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCn2cncn2)CCC1)N(C)C ZINC001421756136 1009038585 /nfs/dbraw/zinc/03/85/85/1009038585.db2.gz RWUANOIINMHQGL-AWEZNQCLSA-N 1 3 322.457 0.493 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C(C)(C)C ZINC001442176890 1009055862 /nfs/dbraw/zinc/05/58/62/1009055862.db2.gz NIOUNOGLDRSREZ-NEPJUHHUSA-N 1 3 300.447 0.321 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCN1C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001433741165 1009138040 /nfs/dbraw/zinc/13/80/40/1009138040.db2.gz AFOWMHWZMLYRPQ-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)N(C)C)CCCC1 ZINC001421847879 1009160331 /nfs/dbraw/zinc/16/03/31/1009160331.db2.gz GLDZDAPVGRIBPT-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001421908766 1009246116 /nfs/dbraw/zinc/24/61/16/1009246116.db2.gz PWJSYGYFQWFBBQ-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001422019393 1009407635 /nfs/dbraw/zinc/40/76/35/1009407635.db2.gz CCMCYTBJHZMWBA-NWANDNLSSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001422028516 1009414428 /nfs/dbraw/zinc/41/44/28/1009414428.db2.gz KRYSQNYGECUBOZ-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001422028516 1009414433 /nfs/dbraw/zinc/41/44/33/1009414433.db2.gz KRYSQNYGECUBOZ-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001422062314 1009448319 /nfs/dbraw/zinc/44/83/19/1009448319.db2.gz NFMNFTIRAICGNZ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]C[C@H](C)OC)CC1 ZINC001422110249 1009498595 /nfs/dbraw/zinc/49/85/95/1009498595.db2.gz ZDLKSNPGVLQIAJ-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001434075019 1009528306 /nfs/dbraw/zinc/52/83/06/1009528306.db2.gz MGWVCVCLCZQHMX-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001434075019 1009528316 /nfs/dbraw/zinc/52/83/16/1009528316.db2.gz MGWVCVCLCZQHMX-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001455261888 1009619568 /nfs/dbraw/zinc/61/95/68/1009619568.db2.gz YVXKOCDEAPAXRU-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001455261888 1009619573 /nfs/dbraw/zinc/61/95/73/1009619573.db2.gz YVXKOCDEAPAXRU-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001422432756 1010076748 /nfs/dbraw/zinc/07/67/48/1010076748.db2.gz XPDOGQGQVRQBEQ-ZIAGYGMSSA-N 1 3 315.458 0.208 20 0 DCADHO CN(CC(C)(C)C[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH]cn1 ZINC001422467211 1010125449 /nfs/dbraw/zinc/12/54/49/1010125449.db2.gz PIFAIPJHRBSZFI-ZDUSSCGKSA-N 1 3 321.425 0.257 20 0 DCADHO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)CN(C)C(C)C ZINC001422469688 1010130739 /nfs/dbraw/zinc/13/07/39/1010130739.db2.gz HCJSWSMZIMOKCR-UHFFFAOYSA-N 1 3 300.447 0.147 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001443087678 1010129987 /nfs/dbraw/zinc/12/99/87/1010129987.db2.gz CILOPEBGFVBBDT-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001456264295 1010159696 /nfs/dbraw/zinc/15/96/96/1010159696.db2.gz NRDMYZPFFLIPMF-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCn1cccn1 ZINC001422511218 1010209805 /nfs/dbraw/zinc/20/98/05/1010209805.db2.gz YTQHPZWVMYWZPS-RBSFLKMASA-N 1 3 307.442 0.660 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCn1cccn1 ZINC001422511218 1010209820 /nfs/dbraw/zinc/20/98/20/1010209820.db2.gz YTQHPZWVMYWZPS-RBSFLKMASA-N 1 3 307.442 0.660 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001422571471 1010318165 /nfs/dbraw/zinc/31/81/65/1010318165.db2.gz IWAQOYKIUAFZMG-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001443325848 1010335445 /nfs/dbraw/zinc/33/54/45/1010335445.db2.gz RHRKJWZLEXDDLJ-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N(C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001443346717 1010356191 /nfs/dbraw/zinc/35/61/91/1010356191.db2.gz YMIUOQDRQDUHHL-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)c1ccc(CN(C)C)o1)C[NH+]1CCN(C)CC1 ZINC001443426891 1010401462 /nfs/dbraw/zinc/40/14/62/1010401462.db2.gz JWHZMZQQLCIKDN-CQSZACIVSA-N 1 3 322.453 0.955 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001506477434 1017308049 /nfs/dbraw/zinc/30/80/49/1017308049.db2.gz BYAPWGYTOMJZDM-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001422935446 1010753487 /nfs/dbraw/zinc/75/34/87/1010753487.db2.gz YCLHHACEQXHMNU-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(CC)C1=O ZINC001443936961 1010763017 /nfs/dbraw/zinc/76/30/17/1010763017.db2.gz QLXKUYIXDADHSF-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1cnnn1C ZINC001443960931 1010778588 /nfs/dbraw/zinc/77/85/88/1010778588.db2.gz HMQWGFIGDSQJDH-CYBMUJFWSA-N 1 3 322.457 0.674 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422985809 1010788375 /nfs/dbraw/zinc/78/83/75/1010788375.db2.gz SEFXITDUJJFEKS-GJZGRUSLSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422985813 1010788585 /nfs/dbraw/zinc/78/85/85/1010788585.db2.gz SEFXITDUJJFEKS-HUUCEWRRSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H](C(=O)NC1(C[NH2+]CC(N)=O)CCCC1)N1CCCCCC1 ZINC001444080963 1010842558 /nfs/dbraw/zinc/84/25/58/1010842558.db2.gz LTNVUGKRFGJBEY-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001423060052 1010851933 /nfs/dbraw/zinc/85/19/33/1010851933.db2.gz NDVWAXUEHVVDFR-HUUCEWRRSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001423060052 1010851939 /nfs/dbraw/zinc/85/19/39/1010851939.db2.gz NDVWAXUEHVVDFR-HUUCEWRRSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001423090028 1010878317 /nfs/dbraw/zinc/87/83/17/1010878317.db2.gz XFUFNFAUUCDGLI-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(CNCC(N)=O)CCCC[C@@H]1C ZINC001444153567 1010884156 /nfs/dbraw/zinc/88/41/56/1010884156.db2.gz MLRWBVJDLYACMA-XJKSGUPXSA-N 1 3 312.458 0.468 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CNCC(N)=O)CCCC[C@@H]1C ZINC001444153567 1010884161 /nfs/dbraw/zinc/88/41/61/1010884161.db2.gz MLRWBVJDLYACMA-XJKSGUPXSA-N 1 3 312.458 0.468 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001423120476 1010904079 /nfs/dbraw/zinc/90/40/79/1010904079.db2.gz JFXBVKHPDBHTGI-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001423120476 1010904082 /nfs/dbraw/zinc/90/40/82/1010904082.db2.gz JFXBVKHPDBHTGI-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)NCC1CC1 ZINC001423127304 1010909993 /nfs/dbraw/zinc/90/99/93/1010909993.db2.gz JYFRQDBDJACFAH-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)NCC1CC1 ZINC001423127304 1010910002 /nfs/dbraw/zinc/91/00/02/1010910002.db2.gz JYFRQDBDJACFAH-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444312352 1010958630 /nfs/dbraw/zinc/95/86/30/1010958630.db2.gz VXYXTHCUXNMFFS-DZGCQCFKSA-N 1 3 319.453 0.604 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001423224362 1010995439 /nfs/dbraw/zinc/99/54/39/1010995439.db2.gz CALMBCUTMJAPPG-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001423224362 1010995444 /nfs/dbraw/zinc/99/54/44/1010995444.db2.gz CALMBCUTMJAPPG-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001444401434 1011000910 /nfs/dbraw/zinc/00/09/10/1011000910.db2.gz CYRYUEWHQQQHAG-OCCSQVGLSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001444401434 1011000914 /nfs/dbraw/zinc/00/09/14/1011000914.db2.gz CYRYUEWHQQQHAG-OCCSQVGLSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001444401296 1011001063 /nfs/dbraw/zinc/00/10/63/1011001063.db2.gz CYRYUEWHQQQHAG-GXTWGEPZSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001444401296 1011001067 /nfs/dbraw/zinc/00/10/67/1011001067.db2.gz CYRYUEWHQQQHAG-GXTWGEPZSA-N 1 3 305.426 0.579 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)CC[NH+](C)C ZINC001423319022 1011072656 /nfs/dbraw/zinc/07/26/56/1011072656.db2.gz DHHRZKSURKAGBZ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)CCC[NH+](C)C)CC2(C)C)n[nH]1 ZINC001423404889 1011127863 /nfs/dbraw/zinc/12/78/63/1011127863.db2.gz SBPDTKPHTYSQAI-ZDUSSCGKSA-N 1 3 322.457 0.782 20 0 DCADHO CC[C@H](C)NC(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001444720695 1011146520 /nfs/dbraw/zinc/14/65/20/1011146520.db2.gz YEDZFUFTOSSQMG-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001456354817 1011214757 /nfs/dbraw/zinc/21/47/57/1011214757.db2.gz IJWWCUMJTUUXKW-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001456354817 1011214765 /nfs/dbraw/zinc/21/47/65/1011214765.db2.gz IJWWCUMJTUUXKW-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001431645126 1011497639 /nfs/dbraw/zinc/49/76/39/1011497639.db2.gz FWWFOQATVLZAIH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001431645126 1011497643 /nfs/dbraw/zinc/49/76/43/1011497643.db2.gz FWWFOQATVLZAIH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001445427784 1011757330 /nfs/dbraw/zinc/75/73/30/1011757330.db2.gz POYMFVCZMCNIRF-JHJVBQTASA-N 1 3 300.447 0.144 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001423980321 1011798040 /nfs/dbraw/zinc/79/80/40/1011798040.db2.gz NRCYJMVBMBDQOD-BTTYYORXSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001423980321 1011798053 /nfs/dbraw/zinc/79/80/53/1011798053.db2.gz NRCYJMVBMBDQOD-BTTYYORXSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001457793448 1011880639 /nfs/dbraw/zinc/88/06/39/1011880639.db2.gz UOFYFYVYOGHCNZ-TZMCWYRMSA-N 1 3 321.425 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001457793448 1011880659 /nfs/dbraw/zinc/88/06/59/1011880659.db2.gz UOFYFYVYOGHCNZ-TZMCWYRMSA-N 1 3 321.425 0.209 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)CC[N@H+](C)CC)N(C)C ZINC001432067956 1011927979 /nfs/dbraw/zinc/92/79/79/1011927979.db2.gz VDYHVJDKQYJHJI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)CC[N@@H+](C)CC)N(C)C ZINC001432067956 1011927983 /nfs/dbraw/zinc/92/79/83/1011927983.db2.gz VDYHVJDKQYJHJI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001432074319 1011939623 /nfs/dbraw/zinc/93/96/23/1011939623.db2.gz OTTHKWAXFRNRFT-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[NH2+]CCC12CCOCC2 ZINC001553404333 1011940084 /nfs/dbraw/zinc/94/00/84/1011940084.db2.gz ADLGAUWNDZXFMV-AWEZNQCLSA-N 1 3 322.453 0.777 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)CN1C1CC1 ZINC001553462789 1011998186 /nfs/dbraw/zinc/99/81/86/1011998186.db2.gz YOGVQKLDVHKWRK-UMVBOHGHSA-N 1 3 322.453 0.761 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553498119 1012035072 /nfs/dbraw/zinc/03/50/72/1012035072.db2.gz NALMVBLXEVAUPR-ZQDZILKHSA-N 1 3 310.442 0.354 20 0 DCADHO Cn1cnc([C@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@H]2N)c1 ZINC001553979038 1012159910 /nfs/dbraw/zinc/15/99/10/1012159910.db2.gz VIULVSISHNZYGN-JKSUJKDBSA-N 1 3 323.404 0.928 20 0 DCADHO Cn1cnc([C@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@H]2N)c1 ZINC001553979038 1012159921 /nfs/dbraw/zinc/15/99/21/1012159921.db2.gz VIULVSISHNZYGN-JKSUJKDBSA-N 1 3 323.404 0.928 20 0 DCADHO CCCN(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001536875006 1012258852 /nfs/dbraw/zinc/25/88/52/1012258852.db2.gz QETDGZVCXHDHHG-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001536875006 1012258861 /nfs/dbraw/zinc/25/88/61/1012258861.db2.gz QETDGZVCXHDHHG-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001424296849 1012323140 /nfs/dbraw/zinc/32/31/40/1012323140.db2.gz PHPQTDNNMFDKCI-HIFRSBDPSA-N 1 3 314.474 0.487 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001432329990 1012331164 /nfs/dbraw/zinc/33/11/64/1012331164.db2.gz PTTWLYCVRPCDHZ-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1)C(N)=O ZINC001446014589 1012525323 /nfs/dbraw/zinc/52/53/23/1012525323.db2.gz MQURZIUXZFDQKQ-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001446496871 1012821416 /nfs/dbraw/zinc/82/14/16/1012821416.db2.gz RKLXGTZIBFKVNU-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](CC)NC(=O)C12CC[NH+](CC1)C2 ZINC001432763088 1012851784 /nfs/dbraw/zinc/85/17/84/1012851784.db2.gz TXGOWXHBGYHLRC-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001515317305 1017115640 /nfs/dbraw/zinc/11/56/40/1017115640.db2.gz AYGVQIRYCOFLSB-UVRCXTANSA-N 1 3 307.438 0.600 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1)C(N)=O ZINC001479315894 1017495889 /nfs/dbraw/zinc/49/58/89/1017495889.db2.gz QWJBJXVPUHCPSL-HZSPNIEDSA-N 1 3 324.469 0.609 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001479371749 1017528521 /nfs/dbraw/zinc/52/85/21/1017528521.db2.gz WXHHQJBVDSAIQJ-CTYIDZIISA-N 1 3 319.453 0.889 20 0 DCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001479475181 1017564356 /nfs/dbraw/zinc/56/43/56/1017564356.db2.gz GWEFIDCWCTUPJI-QWHCGFSZSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)N2CCC2)C1 ZINC001479572976 1017588764 /nfs/dbraw/zinc/58/87/64/1017588764.db2.gz OVGFGFGXYYZMBP-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001497205107 1017964432 /nfs/dbraw/zinc/96/44/32/1017964432.db2.gz HBUYKVXQYSMBDX-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nccnc1CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497321117 1018045441 /nfs/dbraw/zinc/04/54/41/1018045441.db2.gz BQZVLCWUYNTGHV-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CNCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497321117 1018045452 /nfs/dbraw/zinc/04/54/52/1018045452.db2.gz BQZVLCWUYNTGHV-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001494841026 1018093744 /nfs/dbraw/zinc/09/37/44/1018093744.db2.gz DFBCCLNRLNVRPQ-OAHLLOKOSA-N 1 3 319.453 0.758 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001499883272 1018119475 /nfs/dbraw/zinc/11/94/75/1018119475.db2.gz UDYITWOSQQJZJB-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001480024826 1018135151 /nfs/dbraw/zinc/13/51/51/1018135151.db2.gz XQOBRHAPVQQXAN-CQSZACIVSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC[NH2+]CCn1cncn1)C(=O)CN1CC[C@@H](C)C1 ZINC001497455984 1018148804 /nfs/dbraw/zinc/14/88/04/1018148804.db2.gz SWQZUZIANVCDRO-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CCn2cncn2)C2CC2)C1 ZINC001480046043 1018155880 /nfs/dbraw/zinc/15/58/80/1018155880.db2.gz DLDXOMQGLIUNQN-HIFRSBDPSA-N 1 3 320.441 0.104 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001480060961 1018171630 /nfs/dbraw/zinc/17/16/30/1018171630.db2.gz ZWRAIONTONQYLY-JSGCOSHPSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001480060961 1018171637 /nfs/dbraw/zinc/17/16/37/1018171637.db2.gz ZWRAIONTONQYLY-JSGCOSHPSA-N 1 3 320.441 0.439 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001494980434 1018204539 /nfs/dbraw/zinc/20/45/39/1018204539.db2.gz CYUSRTLFBLBUAU-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001494980434 1018204556 /nfs/dbraw/zinc/20/45/56/1018204556.db2.gz CYUSRTLFBLBUAU-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1n[nH]c(C)n1 ZINC001495095911 1018307929 /nfs/dbraw/zinc/30/79/29/1018307929.db2.gz YWYCHRPPISKDFF-STQMWFEESA-N 1 3 308.430 0.439 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C)n1 ZINC001495095911 1018307937 /nfs/dbraw/zinc/30/79/37/1018307937.db2.gz YWYCHRPPISKDFF-STQMWFEESA-N 1 3 308.430 0.439 20 0 DCADHO CN1CCC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CCCCN2C)C1=O ZINC001497654252 1018308032 /nfs/dbraw/zinc/30/80/32/1018308032.db2.gz ILRAEWIGRXTEOJ-VQGNRHNMSA-N 1 3 322.453 0.354 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480226579 1018336796 /nfs/dbraw/zinc/33/67/96/1018336796.db2.gz OTEBDCBDFJJGMX-APIJFGDWSA-N 1 3 324.469 0.621 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C(=O)N(C)C ZINC001498086339 1018640686 /nfs/dbraw/zinc/64/06/86/1018640686.db2.gz DCUYLVILNLRBQH-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)CC1 ZINC001480621246 1018713859 /nfs/dbraw/zinc/71/38/59/1018713859.db2.gz ODYMBJNAPDWIGT-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001480672016 1018761870 /nfs/dbraw/zinc/76/18/70/1018761870.db2.gz IQPZYFPKJIBWAB-TZMCWYRMSA-N 1 3 322.457 0.954 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN[C@H](C)c2nnc(C)[nH]2)C1 ZINC001480672016 1018761887 /nfs/dbraw/zinc/76/18/87/1018761887.db2.gz IQPZYFPKJIBWAB-TZMCWYRMSA-N 1 3 322.457 0.954 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCc2cnn(C)c2)C1 ZINC001480675007 1018764529 /nfs/dbraw/zinc/76/45/29/1018764529.db2.gz CDXNGLLSIBOJDI-MRXNPFEDSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001480770088 1018886339 /nfs/dbraw/zinc/88/63/39/1018886339.db2.gz MEVLKXXITWXMDL-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001480792307 1018915332 /nfs/dbraw/zinc/91/53/32/1018915332.db2.gz LNKXVRAJWLWQFR-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccnn1C)N(C)C ZINC001480806282 1018930810 /nfs/dbraw/zinc/93/08/10/1018930810.db2.gz YXHWXSKHVGFWSY-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CCCC1 ZINC001480832893 1018952257 /nfs/dbraw/zinc/95/22/57/1018952257.db2.gz JEAWMMGOPREGCL-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CN1CCCC1 ZINC001480832893 1018952278 /nfs/dbraw/zinc/95/22/78/1018952278.db2.gz JEAWMMGOPREGCL-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001496153301 1019115055 /nfs/dbraw/zinc/11/50/55/1019115055.db2.gz GQKZAVZYPWVKLG-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001496153301 1019115059 /nfs/dbraw/zinc/11/50/59/1019115059.db2.gz GQKZAVZYPWVKLG-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001496192670 1019151619 /nfs/dbraw/zinc/15/16/19/1019151619.db2.gz DOXURFCUOOXBEU-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001496338242 1019252196 /nfs/dbraw/zinc/25/21/96/1019252196.db2.gz BMDFGKWAPRDZCW-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H](C)C1 ZINC001496369065 1019270735 /nfs/dbraw/zinc/27/07/35/1019270735.db2.gz PQTJCJKXFKWOFS-GJZGRUSLSA-N 1 3 322.457 0.447 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001498637942 1019290295 /nfs/dbraw/zinc/29/02/95/1019290295.db2.gz CFAIBJQBGQPSMV-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001498637942 1019290304 /nfs/dbraw/zinc/29/03/04/1019290304.db2.gz CFAIBJQBGQPSMV-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCCNCc1ccon1 ZINC001498652678 1019299452 /nfs/dbraw/zinc/29/94/52/1019299452.db2.gz FBPAJEQZUZWQIY-CQSZACIVSA-N 1 3 324.425 0.581 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCC[NH2+]Cc1ccon1 ZINC001498652678 1019299465 /nfs/dbraw/zinc/29/94/65/1019299465.db2.gz FBPAJEQZUZWQIY-CQSZACIVSA-N 1 3 324.425 0.581 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001496563404 1019416146 /nfs/dbraw/zinc/41/61/46/1019416146.db2.gz XVYSSQRQRJVJSM-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498786674 1019427211 /nfs/dbraw/zinc/42/72/11/1019427211.db2.gz RVIBFAKOFADLAR-GXTWGEPZSA-N 1 3 322.453 0.234 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001493585238 1019540388 /nfs/dbraw/zinc/54/03/88/1019540388.db2.gz TXDANJNTFPTNLA-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001493585238 1019540401 /nfs/dbraw/zinc/54/04/01/1019540401.db2.gz TXDANJNTFPTNLA-CYBMUJFWSA-N 1 3 308.430 0.536 20 0 DCADHO CNC(=O)CNC1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001501967947 1019597998 /nfs/dbraw/zinc/59/79/98/1019597998.db2.gz DIPAOBMNCRTHHF-UHFFFAOYSA-N 1 3 322.453 0.237 20 0 DCADHO CN(CC[NH2+]CC(=O)N1CCCCC1)C(=O)[C@@H]1CCCCN1C ZINC001493664723 1019605660 /nfs/dbraw/zinc/60/56/60/1019605660.db2.gz PRCLTVOILIURPY-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001496914773 1019757179 /nfs/dbraw/zinc/75/71/79/1019757179.db2.gz KPDWRMKXULHWJO-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CC(N)=O ZINC001493870953 1019780073 /nfs/dbraw/zinc/78/00/73/1019780073.db2.gz HFNMAOWABCXWSG-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CC(N)=O ZINC001493870953 1019780088 /nfs/dbraw/zinc/78/00/88/1019780088.db2.gz HFNMAOWABCXWSG-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001493944601 1019835927 /nfs/dbraw/zinc/83/59/27/1019835927.db2.gz YTUBCJXKQHGDKG-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001493944601 1019835942 /nfs/dbraw/zinc/83/59/42/1019835942.db2.gz YTUBCJXKQHGDKG-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494075956 1019967034 /nfs/dbraw/zinc/96/70/34/1019967034.db2.gz ZISWSBYJQJWKPZ-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001494075956 1019967045 /nfs/dbraw/zinc/96/70/45/1019967045.db2.gz ZISWSBYJQJWKPZ-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001494092650 1019978907 /nfs/dbraw/zinc/97/89/07/1019978907.db2.gz VVLDGJNXJUOMRL-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419141410 282950193 /nfs/dbraw/zinc/95/01/93/282950193.db2.gz VCFZKUHSRKOMOH-MJBXVCDLSA-N 1 3 312.458 0.609 20 0 DCADHO COC(=O)CCNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000370006354 291037205 /nfs/dbraw/zinc/03/72/05/291037205.db2.gz JWSGNOGUUJYPDB-UHFFFAOYSA-N 1 3 311.426 0.474 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C3CCOCC3)C[C@H]2C1 ZINC000365507629 283210332 /nfs/dbraw/zinc/21/03/32/283210332.db2.gz NCFDGPXNTCQDGO-IJEWVQPXSA-N 1 3 307.438 0.650 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C3CCOCC3)C[C@H]2C1 ZINC000365507629 283210335 /nfs/dbraw/zinc/21/03/35/283210335.db2.gz NCFDGPXNTCQDGO-IJEWVQPXSA-N 1 3 307.438 0.650 20 0 DCADHO CCC[N@H+](CCN1CCN(CC)CC1)CC1(O)CCOCC1 ZINC000344163749 283259664 /nfs/dbraw/zinc/25/96/64/283259664.db2.gz LNMGTYRVMWDQBX-UHFFFAOYSA-N 1 3 313.486 0.877 20 0 DCADHO CCC[N@@H+](CCN1CCN(CC)CC1)CC1(O)CCOCC1 ZINC000344163749 283259666 /nfs/dbraw/zinc/25/96/66/283259666.db2.gz LNMGTYRVMWDQBX-UHFFFAOYSA-N 1 3 313.486 0.877 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)nn1 ZINC000566287137 291291403 /nfs/dbraw/zinc/29/14/03/291291403.db2.gz XRDDPYLSOCCBGG-CQSZACIVSA-N 1 3 320.441 0.717 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420031637 240010808 /nfs/dbraw/zinc/01/08/08/240010808.db2.gz SAUPOXULFCQDGU-CYBMUJFWSA-N 1 3 300.447 0.276 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1CCC[C@@H](C)C1 ZINC000420068396 240013346 /nfs/dbraw/zinc/01/33/46/240013346.db2.gz USDBVTSKLQFUHU-YRGRVCCFSA-N 1 3 310.442 0.077 20 0 DCADHO CCOC(=O)C1([C@H](C)NCC(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000422813113 240184807 /nfs/dbraw/zinc/18/48/07/240184807.db2.gz RLZSXJJJOKASMM-LBPRGKRZSA-N 1 3 313.442 0.812 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C[C@H]1C[NH3+] ZINC000423580483 240215453 /nfs/dbraw/zinc/21/54/53/240215453.db2.gz RXLIBVIAEYAVSF-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000423729768 240243585 /nfs/dbraw/zinc/24/35/85/240243585.db2.gz VQVSKXFATVDFKK-UONOGXRCSA-N 1 3 312.458 0.371 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567846793 291384284 /nfs/dbraw/zinc/38/42/84/291384284.db2.gz QZDYRXBMVNWDPG-HOTGVXAUSA-N 1 3 317.433 0.770 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000574738992 291712727 /nfs/dbraw/zinc/71/27/27/291712727.db2.gz ZXHKUZONCRHVKR-ZDUSSCGKSA-N 1 3 318.421 0.945 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000339670397 253124576 /nfs/dbraw/zinc/12/45/76/253124576.db2.gz WCRRFRCQHMOUCI-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339634468 253118137 /nfs/dbraw/zinc/11/81/37/253118137.db2.gz WBGNBGCSZMKJOU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339634468 253118140 /nfs/dbraw/zinc/11/81/40/253118140.db2.gz WBGNBGCSZMKJOU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636448 253119193 /nfs/dbraw/zinc/11/91/93/253119193.db2.gz MSEAFOWXEQBRBP-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339754132 253138184 /nfs/dbraw/zinc/13/81/84/253138184.db2.gz OOHRYBWICGYZMI-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000340110139 253201799 /nfs/dbraw/zinc/20/17/99/253201799.db2.gz XNHRTLNANIRFJJ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO COC(=O)CN(C)C(=O)CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000346349211 254039741 /nfs/dbraw/zinc/03/97/41/254039741.db2.gz ZFXXVBBDFNLDCX-UHFFFAOYSA-N 1 3 313.442 0.813 20 0 DCADHO CCOc1ccnc(N2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC000346828838 254100246 /nfs/dbraw/zinc/10/02/46/254100246.db2.gz IVUALBYXEZVMIT-UHFFFAOYSA-N 1 3 305.426 0.997 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](CCn3cncn3)CC2)CC1 ZINC000347244594 254141918 /nfs/dbraw/zinc/14/19/18/254141918.db2.gz ZWSGKOJOIQQVCX-UHFFFAOYSA-N 1 3 306.458 0.628 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC000347250032 254142296 /nfs/dbraw/zinc/14/22/96/254142296.db2.gz YTRVDJQWYOQSGY-KFWWJZLASA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC000347250032 254142297 /nfs/dbraw/zinc/14/22/97/254142297.db2.gz YTRVDJQWYOQSGY-KFWWJZLASA-N 1 3 322.453 0.092 20 0 DCADHO CCN(CCO)CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000347280532 254144711 /nfs/dbraw/zinc/14/47/11/254144711.db2.gz SODJMIRDTCPAHL-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348210350 254227545 /nfs/dbraw/zinc/22/75/45/254227545.db2.gz AFTVXVCDUQUOOH-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348990756 254267905 /nfs/dbraw/zinc/26/79/05/254267905.db2.gz FVEVNNNPZDYEBY-UHFFFAOYSA-N 1 3 313.442 0.371 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)CCOC2C[NH2+]C2)c1 ZINC000348990755 254267996 /nfs/dbraw/zinc/26/79/96/254267996.db2.gz MTLYHZQXMRPPRQ-UHFFFAOYSA-N 1 3 307.394 0.944 20 0 DCADHO C[NH+](C)CCOc1cccc(NC(=O)CCOC2CNC2)c1 ZINC000348990755 254267998 /nfs/dbraw/zinc/26/79/98/254267998.db2.gz MTLYHZQXMRPPRQ-UHFFFAOYSA-N 1 3 307.394 0.944 20 0 DCADHO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)C[C@@H]12 ZINC000351479549 254338029 /nfs/dbraw/zinc/33/80/29/254338029.db2.gz RSZIHHMATBXFAI-DAXOMENPSA-N 1 3 306.454 0.399 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000351863937 254376196 /nfs/dbraw/zinc/37/61/96/254376196.db2.gz VVJATGFEDKUHFV-YPMHNXCESA-N 1 3 304.394 0.783 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000337574235 285280605 /nfs/dbraw/zinc/28/06/05/285280605.db2.gz GODGAKFCTXTYFJ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000337574235 285280606 /nfs/dbraw/zinc/28/06/06/285280606.db2.gz GODGAKFCTXTYFJ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000417745786 262260368 /nfs/dbraw/zinc/26/03/68/262260368.db2.gz FNIMLOFDQIIVKN-ZIAGYGMSSA-N 1 3 300.447 0.866 20 0 DCADHO CN(C)CCOc1ccccc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232060 395821972 /nfs/dbraw/zinc/82/19/72/395821972.db2.gz LEBNZSJFWMKLMO-OKILXGFUSA-N 1 3 303.406 0.918 20 0 DCADHO CC(C)OC[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519449 395831589 /nfs/dbraw/zinc/83/15/89/395831589.db2.gz GDADVRVHKQDNCG-HNNXBMFYSA-N 1 3 315.458 0.162 20 0 DCADHO CN(C(=O)c1ccc(NC(=O)CN)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000237127431 395903643 /nfs/dbraw/zinc/90/36/43/395903643.db2.gz FIUNIZSDFZIIOQ-AWEZNQCLSA-N 1 3 304.394 0.750 20 0 DCADHO CN(C(=O)c1ccc(NC(=O)CN)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000237127431 395903645 /nfs/dbraw/zinc/90/36/45/395903645.db2.gz FIUNIZSDFZIIOQ-AWEZNQCLSA-N 1 3 304.394 0.750 20 0 DCADHO C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCNCC1 ZINC000231668527 395884676 /nfs/dbraw/zinc/88/46/76/395884676.db2.gz IGJTXAHMMQXIKU-UONOGXRCSA-N 1 3 303.472 0.732 20 0 DCADHO C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCNCC1 ZINC000231668527 395884679 /nfs/dbraw/zinc/88/46/79/395884679.db2.gz IGJTXAHMMQXIKU-UONOGXRCSA-N 1 3 303.472 0.732 20 0 DCADHO CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]CC1 ZINC000231668527 395884683 /nfs/dbraw/zinc/88/46/83/395884683.db2.gz IGJTXAHMMQXIKU-UONOGXRCSA-N 1 3 303.472 0.732 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000153375636 396024057 /nfs/dbraw/zinc/02/40/57/396024057.db2.gz AJIFFYOOCJDOAZ-GDBMZVCRSA-N 1 3 313.442 0.059 20 0 DCADHO COc1c(C)cnc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000261653013 396052626 /nfs/dbraw/zinc/05/26/26/396052626.db2.gz FKMMKNMEFZTAMR-CQSZACIVSA-N 1 3 320.437 0.994 20 0 DCADHO c1[nH]nc(-c2cccnc2)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262096481 396099069 /nfs/dbraw/zinc/09/90/69/396099069.db2.gz HWHLRGIYZVPFFC-INIZCTEOSA-N 1 3 312.421 0.951 20 0 DCADHO C[C@H](C[NH3+])C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000262317620 396123109 /nfs/dbraw/zinc/12/31/09/396123109.db2.gz DRHDJRISCWRXFT-OCCSQVGLSA-N 1 3 318.421 0.917 20 0 DCADHO C[C@H](C[NH3+])C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000262317621 396123121 /nfs/dbraw/zinc/12/31/21/396123121.db2.gz DRHDJRISCWRXFT-TZMCWYRMSA-N 1 3 318.421 0.917 20 0 DCADHO C[NH2+]CCC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000262317701 396123171 /nfs/dbraw/zinc/12/31/71/396123171.db2.gz DTAGFWURSFYDPR-UHFFFAOYSA-N 1 3 318.465 0.872 20 0 DCADHO C[C@@]1(C[NH3+])CCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261867292 396074508 /nfs/dbraw/zinc/07/45/08/396074508.db2.gz SRJWOHFHBXCULU-NSHDSACASA-N 1 3 310.320 0.435 20 0 DCADHO C[C@@]1(CN)CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261867292 396074510 /nfs/dbraw/zinc/07/45/10/396074510.db2.gz SRJWOHFHBXCULU-NSHDSACASA-N 1 3 310.320 0.435 20 0 DCADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261867292 396074511 /nfs/dbraw/zinc/07/45/11/396074511.db2.gz SRJWOHFHBXCULU-NSHDSACASA-N 1 3 310.320 0.435 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261968135 396084912 /nfs/dbraw/zinc/08/49/12/396084912.db2.gz PPUGBDACJIMNDH-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000263254735 396209227 /nfs/dbraw/zinc/20/92/27/396209227.db2.gz QDPDSUMLFWHOIN-HIFRSBDPSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000263254735 396209233 /nfs/dbraw/zinc/20/92/33/396209233.db2.gz QDPDSUMLFWHOIN-HIFRSBDPSA-N 1 3 312.458 0.323 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000073416722 396145800 /nfs/dbraw/zinc/14/58/00/396145800.db2.gz WYKWZQUABQEGAT-HNNXBMFYSA-N 1 3 313.490 0.511 20 0 DCADHO C[C@@H]([NH3+])CCC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262754657 396179554 /nfs/dbraw/zinc/17/95/54/396179554.db2.gz HHDABHFDSTVWNP-CYBMUJFWSA-N 1 3 320.437 0.722 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)[C@@H]2C1 ZINC000262823942 396185278 /nfs/dbraw/zinc/18/52/78/396185278.db2.gz RKWDEGQWBOHMFI-IIAWOOMASA-N 1 3 317.437 0.974 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077827545 396235040 /nfs/dbraw/zinc/23/50/40/396235040.db2.gz LJMFTXBSRNGBOP-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077827545 396235041 /nfs/dbraw/zinc/23/50/41/396235041.db2.gz LJMFTXBSRNGBOP-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO C[C@@H](CN1CCOCC1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180965373 396236353 /nfs/dbraw/zinc/23/63/53/396236353.db2.gz FFMUTPDWPPJDQA-INIZCTEOSA-N 1 3 312.502 0.665 20 0 DCADHO C[C@@H](CN1CCOCC1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180965373 396236355 /nfs/dbraw/zinc/23/63/55/396236355.db2.gz FFMUTPDWPPJDQA-INIZCTEOSA-N 1 3 312.502 0.665 20 0 DCADHO CC(C)(C)[C@@H](NC/C=C/C[NH2+][C@@H](C(N)=O)C(C)(C)C)C(N)=O ZINC000264555475 396290734 /nfs/dbraw/zinc/29/07/34/396290734.db2.gz LPPJRFUQQYBBNE-BRQSLIGTSA-N 1 3 312.458 0.522 20 0 DCADHO CO[C@@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000190423625 396406645 /nfs/dbraw/zinc/40/66/45/396406645.db2.gz URWFCDSEYNVCKI-ZDUSSCGKSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)CCNC(=O)C1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000192885303 396439825 /nfs/dbraw/zinc/43/98/25/396439825.db2.gz FNWOMDRJBRRULJ-UHFFFAOYSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)Nc1nc(NCCO)nc(NCC2=CC[N@H+](C)CC2)n1 ZINC000286131679 396376408 /nfs/dbraw/zinc/37/64/08/396376408.db2.gz FVTHEPFUTGSPBK-UHFFFAOYSA-N 1 3 321.429 0.770 20 0 DCADHO CC(C)Nc1nc(NCCO)nc(NCC2=CC[N@@H+](C)CC2)n1 ZINC000286131679 396376410 /nfs/dbraw/zinc/37/64/10/396376410.db2.gz FVTHEPFUTGSPBK-UHFFFAOYSA-N 1 3 321.429 0.770 20 0 DCADHO C[C@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)C(=O)NCCN(C)C ZINC000580725026 396495607 /nfs/dbraw/zinc/49/56/07/396495607.db2.gz NJYHCPCOEDMUCR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)C(=O)NCCN(C)C ZINC000580725026 396495609 /nfs/dbraw/zinc/49/56/09/396495609.db2.gz NJYHCPCOEDMUCR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO COC(=O)CCN1CC[C@@H]([NH2+]C2CCN(C(C)C)CC2)C1=O ZINC000594731098 396502729 /nfs/dbraw/zinc/50/27/29/396502729.db2.gz QAVBXURJKLZZFV-CQSZACIVSA-N 1 3 311.426 0.613 20 0 DCADHO CC1CC[NH+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000372313976 396506087 /nfs/dbraw/zinc/50/60/87/396506087.db2.gz WHCVEJSGENCWKH-INIZCTEOSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000372047041 396484679 /nfs/dbraw/zinc/48/46/79/396484679.db2.gz VSYPHJUOEKBDOE-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000372047041 396484683 /nfs/dbraw/zinc/48/46/83/396484683.db2.gz VSYPHJUOEKBDOE-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000519695439 396524946 /nfs/dbraw/zinc/52/49/46/396524946.db2.gz WHRKNPFTSNHMKO-HOTGVXAUSA-N 1 3 320.437 0.967 20 0 DCADHO O=C(COC1CNC1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000584720229 396618193 /nfs/dbraw/zinc/61/81/93/396618193.db2.gz BCSVUHVJUVCOEH-OAHLLOKOSA-N 1 3 318.421 0.541 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)cc2)[nH]1 ZINC000373885671 396621401 /nfs/dbraw/zinc/62/14/01/396621401.db2.gz MLGOFNHWITZPSI-MLGOLLRUSA-N 1 3 312.377 0.869 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000562825855 396683006 /nfs/dbraw/zinc/68/30/06/396683006.db2.gz UAQFGEUQICSIIJ-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)[C@H]2C1 ZINC000563086265 396701116 /nfs/dbraw/zinc/70/11/16/396701116.db2.gz FYUWUJULUPENNE-XUJVJEKNSA-N 1 3 303.410 0.653 20 0 DCADHO CO[C@@H](CN)C(=O)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000563110261 396704071 /nfs/dbraw/zinc/70/40/71/396704071.db2.gz OFOHQEGYAWYMMV-NEPJUHHUSA-N 1 3 312.439 0.363 20 0 DCADHO CC(=O)NCC(=O)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000629574841 396794772 /nfs/dbraw/zinc/79/47/72/396794772.db2.gz LCYMCRZZJZZXJK-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CN1CCN(CCNC(=O)NCC[C@H]2CCC[NH2+]2)CC1(C)C ZINC000563590895 396756869 /nfs/dbraw/zinc/75/68/69/396756869.db2.gz WBCSKZMEHOXOAH-CQSZACIVSA-N 1 3 311.474 0.454 20 0 DCADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCC[C@H]1C(N)=O ZINC000629515760 396775466 /nfs/dbraw/zinc/77/54/66/396775466.db2.gz WSCINQRYZDQQIL-PVAVHDDUSA-N 1 3 318.465 0.874 20 0 DCADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000629515760 396775469 /nfs/dbraw/zinc/77/54/69/396775469.db2.gz WSCINQRYZDQQIL-PVAVHDDUSA-N 1 3 318.465 0.874 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634258283 396822262 /nfs/dbraw/zinc/82/22/62/396822262.db2.gz DFNSSOBCOPEYIK-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000629804049 396841885 /nfs/dbraw/zinc/84/18/85/396841885.db2.gz RWHFGRBWDYWCIT-UKRRQHHQSA-N 1 3 322.453 0.269 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000629804049 396841890 /nfs/dbraw/zinc/84/18/90/396841890.db2.gz RWHFGRBWDYWCIT-UKRRQHHQSA-N 1 3 322.453 0.269 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)C2 ZINC000629595987 396802904 /nfs/dbraw/zinc/80/29/04/396802904.db2.gz OULQKCLQPCGMCH-HUUCEWRRSA-N 1 3 322.453 0.087 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C2 ZINC000629595987 396802907 /nfs/dbraw/zinc/80/29/07/396802907.db2.gz OULQKCLQPCGMCH-HUUCEWRRSA-N 1 3 322.453 0.087 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC1 ZINC000564943864 396906072 /nfs/dbraw/zinc/90/60/72/396906072.db2.gz BGWBIDPDGPFTJN-UHFFFAOYSA-N 1 3 321.429 0.273 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000333677819 396929703 /nfs/dbraw/zinc/92/97/03/396929703.db2.gz OIHDTOFYUOQTLA-LSDHHAIUSA-N 1 3 310.442 0.635 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000333894850 396934463 /nfs/dbraw/zinc/93/44/63/396934463.db2.gz YWEKQVKYQBUHTI-UGUYLWEFSA-N 1 3 324.469 0.879 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343673884 396998570 /nfs/dbraw/zinc/99/85/70/396998570.db2.gz MTKNAAYZQYKSIY-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343673884 396998574 /nfs/dbraw/zinc/99/85/74/396998574.db2.gz MTKNAAYZQYKSIY-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+](C)C ZINC000571640680 396971798 /nfs/dbraw/zinc/97/17/98/396971798.db2.gz NGIFWKSKKVCHCU-ZIAGYGMSSA-N 1 3 308.430 0.631 20 0 DCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000571639658 396972095 /nfs/dbraw/zinc/97/20/95/396972095.db2.gz CLSHCZHBNQYCDE-BXKDBHETSA-N 1 3 300.366 0.867 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)C[NH+]1CCCC1 ZINC000340775885 396972554 /nfs/dbraw/zinc/97/25/54/396972554.db2.gz NWCOZMUWBUHLQW-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(CCCS(N)(=O)=O)C1 ZINC000350179927 397082811 /nfs/dbraw/zinc/08/28/11/397082811.db2.gz ATPLZMMHZCODII-ZDUSSCGKSA-N 1 3 307.460 0.098 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000612546258 397089115 /nfs/dbraw/zinc/08/91/15/397089115.db2.gz QXIJFBCGFIYMPK-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000612546258 397089121 /nfs/dbraw/zinc/08/91/21/397089121.db2.gz QXIJFBCGFIYMPK-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO N[C@H](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000377527322 397094557 /nfs/dbraw/zinc/09/45/57/397094557.db2.gz ZUKOZRJLKDZPDR-HZPDHXFCSA-N 1 3 302.422 0.583 20 0 DCADHO CN1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000572347481 397049270 /nfs/dbraw/zinc/04/92/70/397049270.db2.gz YGKHVVGJDBZKGX-KGLIPLIRSA-N 1 3 311.474 0.391 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612976528 397167970 /nfs/dbraw/zinc/16/79/70/397167970.db2.gz ZGGPWASLZHBEHG-AWEZNQCLSA-N 1 3 311.474 0.263 20 0 DCADHO Cc1c(C(=O)N2CCNC(C)(C)C2)nnn1C1CC[NH2+]CC1 ZINC000573722171 397199112 /nfs/dbraw/zinc/19/91/12/397199112.db2.gz HLQBXMZRCXLUEJ-UHFFFAOYSA-N 1 3 306.414 0.335 20 0 DCADHO CSC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000364450761 397204192 /nfs/dbraw/zinc/20/41/92/397204192.db2.gz TVVOEPMPLFTWSM-RBSFLKMASA-N 1 3 301.500 0.668 20 0 DCADHO COC(=O)[C@@]1(C)C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@@H]1C ZINC000602022211 397286492 /nfs/dbraw/zinc/28/64/92/397286492.db2.gz RNVRRLJGPHOMBQ-ZENOOKHLSA-N 1 3 311.426 0.315 20 0 DCADHO COC(=O)[C@@]1(C)C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@@H]1C ZINC000602022211 397286495 /nfs/dbraw/zinc/28/64/95/397286495.db2.gz RNVRRLJGPHOMBQ-ZENOOKHLSA-N 1 3 311.426 0.315 20 0 DCADHO C[C@@H](C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574738053 397294522 /nfs/dbraw/zinc/29/45/22/397294522.db2.gz BMKIEJJIIZBLBT-CYBMUJFWSA-N 1 3 315.458 0.916 20 0 DCADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[N@H+](C)CC)C12CCOCC2 ZINC000574769267 397298861 /nfs/dbraw/zinc/29/88/61/397298861.db2.gz VHZRVWYUYPEVMC-QLFBSQMISA-N 1 3 300.443 0.863 20 0 DCADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[N@@H+](C)CC)C12CCOCC2 ZINC000574769267 397298863 /nfs/dbraw/zinc/29/88/63/397298863.db2.gz VHZRVWYUYPEVMC-QLFBSQMISA-N 1 3 300.443 0.863 20 0 DCADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCN3CCCCC3)c21 ZINC000592955759 397300901 /nfs/dbraw/zinc/30/09/01/397300901.db2.gz DVZFTWLQCZQMRR-CYBMUJFWSA-N 1 3 305.426 0.935 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)nn1 ZINC000577489525 397336132 /nfs/dbraw/zinc/33/61/32/397336132.db2.gz SSSNYEUKEZSMIF-AWEZNQCLSA-N 1 3 320.441 0.717 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000577727658 397355515 /nfs/dbraw/zinc/35/55/15/397355515.db2.gz WOKHJFINUAUQPG-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCOCC[NH+](C)C ZINC000471643392 397449818 /nfs/dbraw/zinc/44/98/18/397449818.db2.gz HVHIWXUKJXBOMS-ZIAGYGMSSA-N 1 3 300.447 0.546 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000487501742 397475064 /nfs/dbraw/zinc/47/50/64/397475064.db2.gz OVODMSZADOOOTR-IJEWVQPXSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000487501742 397475069 /nfs/dbraw/zinc/47/50/69/397475069.db2.gz OVODMSZADOOOTR-IJEWVQPXSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000579692655 397588509 /nfs/dbraw/zinc/58/85/09/397588509.db2.gz IVQLZJYTNWQHQX-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nncn1C ZINC000607224782 397698416 /nfs/dbraw/zinc/69/84/16/397698416.db2.gz LQROPOAMNLLESG-LBPRGKRZSA-N 1 3 311.434 0.011 20 0 DCADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)C[NH+]1CCCC1 ZINC000607233552 397699156 /nfs/dbraw/zinc/69/91/56/397699156.db2.gz AMBWDRYDIFGYBI-AWEZNQCLSA-N 1 3 312.458 0.474 20 0 DCADHO CN(c1nccn(C)c1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000608086204 397716240 /nfs/dbraw/zinc/71/62/40/397716240.db2.gz PNIHMBIQKQEZOP-AWEZNQCLSA-N 1 3 305.426 0.385 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000316440371 159002958 /nfs/dbraw/zinc/00/29/58/159002958.db2.gz UWFGMGPAARLEQQ-AQBKWJQSSA-N 1 3 307.438 0.887 20 0 DCADHO COC(=O)CCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000316906088 159003896 /nfs/dbraw/zinc/00/38/96/159003896.db2.gz ZNCVZTSNZDPMDR-KBPBESRZSA-N 1 3 311.426 0.520 20 0 DCADHO COC(=O)CCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000316906091 159003899 /nfs/dbraw/zinc/00/38/99/159003899.db2.gz ZNCVZTSNZDPMDR-KGLIPLIRSA-N 1 3 311.426 0.520 20 0 DCADHO CC[N@H+](CCO)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000187068855 287058240 /nfs/dbraw/zinc/05/82/40/287058240.db2.gz GXSLHHONTQOCRI-MRXNPFEDSA-N 1 3 322.453 0.903 20 0 DCADHO CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000187068855 287058241 /nfs/dbraw/zinc/05/82/41/287058241.db2.gz GXSLHHONTQOCRI-MRXNPFEDSA-N 1 3 322.453 0.903 20 0 DCADHO CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000334056042 287147701 /nfs/dbraw/zinc/14/77/01/287147701.db2.gz VIBGJWCUQVPDSB-ARFHVFGLSA-N 1 3 324.469 0.758 20 0 DCADHO CC[C@H](C)N[C@@H](CNC(=O)N(CC[NH3+])CCO)c1ccco1 ZINC000418171443 287239818 /nfs/dbraw/zinc/23/98/18/287239818.db2.gz UTHGPMVZAMSBRI-STQMWFEESA-N 1 3 312.414 0.671 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000418343908 287244791 /nfs/dbraw/zinc/24/47/91/287244791.db2.gz RLMWVYQJGUMJMO-CABCVRRESA-N 1 3 312.458 0.378 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418539275 287250513 /nfs/dbraw/zinc/25/05/13/287250513.db2.gz FNVJCMZXEPOGHG-ZIAGYGMSSA-N 1 3 311.474 0.534 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419020442 287261199 /nfs/dbraw/zinc/26/11/99/287261199.db2.gz FUJURVRFMNJUNX-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000419340583 287282086 /nfs/dbraw/zinc/28/20/86/287282086.db2.gz XDFBZHBKAYNMEF-YRGRVCCFSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H]1NCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000331590888 415142535 /nfs/dbraw/zinc/14/25/35/415142535.db2.gz YJYUEZRSYAWGQG-ILXRZTDVSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1NCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000331590888 415142540 /nfs/dbraw/zinc/14/25/40/415142540.db2.gz YJYUEZRSYAWGQG-ILXRZTDVSA-N 1 3 312.458 0.879 20 0 DCADHO CC[NH+]1CCN(CCC(=O)NCCN2CCSCC2)CC1 ZINC000352460896 415184141 /nfs/dbraw/zinc/18/41/41/415184141.db2.gz IBFOOJRGJOVHOI-UHFFFAOYSA-N 1 3 314.499 0.179 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000332106013 415246003 /nfs/dbraw/zinc/24/60/03/415246003.db2.gz UHEAKRYSVRYZRJ-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000342753292 415281346 /nfs/dbraw/zinc/28/13/46/415281346.db2.gz POGKGZKVJANZCP-WWGRRREGSA-N 1 3 313.442 0.894 20 0 DCADHO NS(=O)(=O)c1ccc(OCCN2CCC(C[NH3+])CC2)cc1 ZINC000044514163 415221507 /nfs/dbraw/zinc/22/15/07/415221507.db2.gz GFCBBGGEPLQVBD-UHFFFAOYSA-N 1 3 313.423 0.384 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000332352003 415358006 /nfs/dbraw/zinc/35/80/06/415358006.db2.gz VLMDARGMXWIWHE-LSDHHAIUSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332271960 415326235 /nfs/dbraw/zinc/32/62/35/415326235.db2.gz CGXXLHHTYVOCRJ-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000332585259 415415326 /nfs/dbraw/zinc/41/53/26/415415326.db2.gz DHWAUDQOFSUDEI-KFWWJZLASA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000332596190 415421185 /nfs/dbraw/zinc/42/11/85/415421185.db2.gz HPPSUKYVWGBQEC-ZIAGYGMSSA-N 1 3 308.426 0.021 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000073716188 415424602 /nfs/dbraw/zinc/42/46/02/415424602.db2.gz YVRJBWRLMWCWMN-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000073716188 415424604 /nfs/dbraw/zinc/42/46/04/415424604.db2.gz YVRJBWRLMWCWMN-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)NCCN1CCCCC1 ZINC000073551056 415424750 /nfs/dbraw/zinc/42/47/50/415424750.db2.gz NDGJFFPTECFEKW-UHFFFAOYSA-N 1 3 300.447 0.740 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)NCCN1CCCCC1 ZINC000073551056 415424753 /nfs/dbraw/zinc/42/47/53/415424753.db2.gz NDGJFFPTECFEKW-UHFFFAOYSA-N 1 3 300.447 0.740 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN(C)C2CC2)c1 ZINC000424460457 287305802 /nfs/dbraw/zinc/30/58/02/287305802.db2.gz YQGCRRJBUKTXCU-UHFFFAOYSA-N 1 3 304.394 0.603 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000332382863 415372792 /nfs/dbraw/zinc/37/27/92/415372792.db2.gz VGXUCNYBGIDDDP-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000332844971 415494242 /nfs/dbraw/zinc/49/42/42/415494242.db2.gz YINCZVPXXCPYQD-DZGCQCFKSA-N 1 3 310.442 0.657 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000332844971 415494243 /nfs/dbraw/zinc/49/42/43/415494243.db2.gz YINCZVPXXCPYQD-DZGCQCFKSA-N 1 3 310.442 0.657 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085408175 415506324 /nfs/dbraw/zinc/50/63/24/415506324.db2.gz SKJHCLWBSFFQFB-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085408175 415506328 /nfs/dbraw/zinc/50/63/28/415506328.db2.gz SKJHCLWBSFFQFB-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000343265063 415518620 /nfs/dbraw/zinc/51/86/20/415518620.db2.gz AJGXLSKOYAWYIN-IRXDYDNUSA-N 1 3 320.481 0.853 20 0 DCADHO CN1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000332996813 415523162 /nfs/dbraw/zinc/52/31/62/415523162.db2.gz GWEUUQXYKYYHGB-HOTGVXAUSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343291907 415534709 /nfs/dbraw/zinc/53/47/09/415534709.db2.gz DAWAWLBBNLAUDI-OWCLPIDISA-N 1 3 308.470 0.565 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000343301145 415547705 /nfs/dbraw/zinc/54/77/05/415547705.db2.gz QJZGDCGQJRSONP-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC1 ZINC000343301145 415547714 /nfs/dbraw/zinc/54/77/14/415547714.db2.gz QJZGDCGQJRSONP-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000353456274 415549733 /nfs/dbraw/zinc/54/97/33/415549733.db2.gz ZCGFRKQTCUHJTH-OWCLPIDISA-N 1 3 310.486 0.763 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000353454654 415550358 /nfs/dbraw/zinc/55/03/58/415550358.db2.gz VGEOOJDRTWFUCC-DDTOSNHZSA-N 1 3 313.348 0.500 20 0 DCADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000343309572 415551218 /nfs/dbraw/zinc/55/12/18/415551218.db2.gz MGQVUBOKMMISQL-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000343315356 415553388 /nfs/dbraw/zinc/55/33/88/415553388.db2.gz XIZXSUGFYFTRMK-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000333143653 415569962 /nfs/dbraw/zinc/56/99/62/415569962.db2.gz CSIGEZISHVMBQV-GJZGRUSLSA-N 1 3 310.442 0.635 20 0 DCADHO CCCC[C@@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353670169 415620175 /nfs/dbraw/zinc/62/01/75/415620175.db2.gz ZGGQARKICPWCDA-CQSZACIVSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000333414801 415642386 /nfs/dbraw/zinc/64/23/86/415642386.db2.gz RSIOXKQDIZRKMI-JLNYLFASSA-N 1 3 312.483 0.802 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000353542958 415587273 /nfs/dbraw/zinc/58/72/73/415587273.db2.gz NZHJYRKOIFKLMA-KGLIPLIRSA-N 1 3 312.458 0.737 20 0 DCADHO O=C(N[C@@H]1CCN2CCCC[C@H]12)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343786699 415728479 /nfs/dbraw/zinc/72/84/79/415728479.db2.gz RNBUJNAYHAPTGF-ARQSVGKCSA-N 1 3 305.422 0.544 20 0 DCADHO CO[C@H](CN)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000290195540 415776564 /nfs/dbraw/zinc/77/65/64/415776564.db2.gz QUVQVNDCACEAEK-CQSZACIVSA-N 1 3 321.425 0.524 20 0 DCADHO CCN1C[C@@H](C)[C@@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)C1 ZINC000344237908 415872779 /nfs/dbraw/zinc/87/27/79/415872779.db2.gz HVKPGRZMVSJZMQ-ZBFHGGJFSA-N 1 3 310.486 0.859 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000356185723 415875797 /nfs/dbraw/zinc/87/57/97/415875797.db2.gz ONIBWURPNCNQDZ-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(c2ccncc2)CC1 ZINC000134001415 415954243 /nfs/dbraw/zinc/95/42/43/415954243.db2.gz WRNGHAIOYSVSRZ-CYBMUJFWSA-N 1 3 306.435 0.825 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000338091161 416043709 /nfs/dbraw/zinc/04/37/09/416043709.db2.gz XOAXBDFDEVKWPE-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000338091161 416043710 /nfs/dbraw/zinc/04/37/10/416043710.db2.gz XOAXBDFDEVKWPE-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000314165498 416110870 /nfs/dbraw/zinc/11/08/70/416110870.db2.gz ILIBMELYNQLPIY-ILXRZTDVSA-N 1 3 315.483 0.719 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000314165498 416110873 /nfs/dbraw/zinc/11/08/73/416110873.db2.gz ILIBMELYNQLPIY-ILXRZTDVSA-N 1 3 315.483 0.719 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000314165498 416110875 /nfs/dbraw/zinc/11/08/75/416110875.db2.gz ILIBMELYNQLPIY-ILXRZTDVSA-N 1 3 315.483 0.719 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345729456 416139594 /nfs/dbraw/zinc/13/95/94/416139594.db2.gz WYEDPNQYRWZOFV-QWRGUYRKSA-N 1 3 320.384 0.028 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCN1C ZINC000345802184 416153892 /nfs/dbraw/zinc/15/38/92/416153892.db2.gz ZSUIPRWGXKEKMK-QLFBSQMISA-N 1 3 312.458 0.615 20 0 DCADHO CCCS(=O)(=O)NC1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178959014 416179245 /nfs/dbraw/zinc/17/92/45/416179245.db2.gz UTPOPBXSPSEKAK-UHFFFAOYSA-N 1 3 303.472 0.780 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346025141 416186882 /nfs/dbraw/zinc/18/68/82/416186882.db2.gz AAQAABUZLWLLGA-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000346025141 416186887 /nfs/dbraw/zinc/18/68/87/416186887.db2.gz AAQAABUZLWLLGA-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000341600041 416211411 /nfs/dbraw/zinc/21/14/11/416211411.db2.gz AKZQBAVDLKLVEY-ZFWWWQNUSA-N 1 3 324.469 0.879 20 0 DCADHO COCCN(C)CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358628418 416261981 /nfs/dbraw/zinc/26/19/81/416261981.db2.gz DEJIKSGLBKZJKI-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000358666599 416263900 /nfs/dbraw/zinc/26/39/00/416263900.db2.gz UGUAZGXUKPCTGY-MRXNPFEDSA-N 1 3 312.458 0.661 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358686139 416268385 /nfs/dbraw/zinc/26/83/85/416268385.db2.gz UMKPFLIOOZYJTB-RDJZCZTQSA-N 1 3 320.437 0.655 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358686139 416268388 /nfs/dbraw/zinc/26/83/88/416268388.db2.gz UMKPFLIOOZYJTB-RDJZCZTQSA-N 1 3 320.437 0.655 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000342055801 416275221 /nfs/dbraw/zinc/27/52/21/416275221.db2.gz BXCWFABYWITVGP-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000342055801 416275226 /nfs/dbraw/zinc/27/52/26/416275226.db2.gz BXCWFABYWITVGP-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419973880 416415713 /nfs/dbraw/zinc/41/57/13/416415713.db2.gz HKQLJQVRIRMEKM-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662578 416388490 /nfs/dbraw/zinc/38/84/90/416388490.db2.gz DEDLWHSNIPLMRY-YDHLFZDLSA-N 1 3 300.447 0.363 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000418990345 416395819 /nfs/dbraw/zinc/39/58/19/416395819.db2.gz VFVFMELGYCTRAC-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000418990345 416395821 /nfs/dbraw/zinc/39/58/21/416395821.db2.gz VFVFMELGYCTRAC-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419292119 416399033 /nfs/dbraw/zinc/39/90/33/416399033.db2.gz XRTKVDGUAGKTQJ-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO C[N@H+](CCCNC(=O)C(=O)N1CCCNCC1)C1CCCCC1 ZINC000419414681 416401045 /nfs/dbraw/zinc/40/10/45/416401045.db2.gz UFVDFPSQNXJJHN-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[N@@H+](CCCNC(=O)C(=O)N1CCCNCC1)C1CCCCC1 ZINC000419414681 416401046 /nfs/dbraw/zinc/40/10/46/416401046.db2.gz UFVDFPSQNXJJHN-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)C1=CCN(C)CC1 ZINC000419623358 416404027 /nfs/dbraw/zinc/40/40/27/416404027.db2.gz IEGZUDQEYUGMDH-ZDUSSCGKSA-N 1 3 322.453 0.531 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419756360 416409170 /nfs/dbraw/zinc/40/91/70/416409170.db2.gz AUJZGJTYDCRADI-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419785705 416411479 /nfs/dbraw/zinc/41/14/79/416411479.db2.gz ZEIUKVHYXUXDAC-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO COC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000533088633 416472984 /nfs/dbraw/zinc/47/29/84/416472984.db2.gz XCLLQONDQFYDFR-CQSZACIVSA-N 1 3 300.447 0.546 20 0 DCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423199885 416477473 /nfs/dbraw/zinc/47/74/73/416477473.db2.gz LEHPSRLMQSJDTI-YOEHRIQHSA-N 1 3 322.453 0.271 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000422291699 416424492 /nfs/dbraw/zinc/42/44/92/416424492.db2.gz DYQDCLHSWHASDN-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000422291699 416424494 /nfs/dbraw/zinc/42/44/94/416424494.db2.gz DYQDCLHSWHASDN-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000422953751 416451208 /nfs/dbraw/zinc/45/12/08/416451208.db2.gz GDQGXKYFXGUAFV-RDJZCZTQSA-N 1 3 322.497 0.908 20 0 DCADHO CC1CC[NH+](C[C@H](O)CN[C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422981453 416454655 /nfs/dbraw/zinc/45/46/55/416454655.db2.gz SWEBCGDSGCEYBK-ZACQAIPSSA-N 1 3 311.470 0.436 20 0 DCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423640548 416532005 /nfs/dbraw/zinc/53/20/05/416532005.db2.gz GTDIQDUWHWWATE-HUUCEWRRSA-N 1 3 322.453 0.126 20 0 DCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423640548 416532013 /nfs/dbraw/zinc/53/20/13/416532013.db2.gz GTDIQDUWHWWATE-HUUCEWRRSA-N 1 3 322.453 0.126 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000536532971 416540467 /nfs/dbraw/zinc/54/04/67/416540467.db2.gz MEYPUWXPURNQBN-QGZVFWFLSA-N 1 3 320.481 0.853 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC000459421486 416541803 /nfs/dbraw/zinc/54/18/03/416541803.db2.gz ZKEGAXGWYFFZCR-CQSZACIVSA-N 1 3 322.457 1.298 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000459421486 416541810 /nfs/dbraw/zinc/54/18/10/416541810.db2.gz ZKEGAXGWYFFZCR-CQSZACIVSA-N 1 3 322.457 1.298 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423717469 416545912 /nfs/dbraw/zinc/54/59/12/416545912.db2.gz ABGYHPZDLFDDNA-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H](C)C[NH3+] ZINC000423754087 416559442 /nfs/dbraw/zinc/55/94/42/416559442.db2.gz YBSXROJSCZFFAO-ZIAGYGMSSA-N 1 3 313.442 0.847 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000434699269 416494059 /nfs/dbraw/zinc/49/40/59/416494059.db2.gz JITFXBSXUGMBAB-KFWWJZLASA-N 1 3 324.469 0.705 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423415175 416508056 /nfs/dbraw/zinc/50/80/56/416508056.db2.gz OTQAQJLYHZHAHS-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423511402 416519343 /nfs/dbraw/zinc/51/93/43/416519343.db2.gz QERHRZCIQHCUIY-UHFFFAOYSA-N 1 3 300.447 0.228 20 0 DCADHO CN1CC[C@@H]2OCCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)[C@H]2C1 ZINC000423934993 416594841 /nfs/dbraw/zinc/59/48/41/416594841.db2.gz XTKRJTFTVHUBHE-JYJNAYRXSA-N 1 3 321.396 0.800 20 0 DCADHO O=C(CCOC1CNC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000423901521 416586099 /nfs/dbraw/zinc/58/60/99/416586099.db2.gz KTAGLXCZNNZVSA-BBRMVZONSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(CCOC1CNC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000423901521 416586102 /nfs/dbraw/zinc/58/61/02/416586102.db2.gz KTAGLXCZNNZVSA-BBRMVZONSA-N 1 3 307.438 0.840 20 0 DCADHO CCOCC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364458893 416590010 /nfs/dbraw/zinc/59/00/10/416590010.db2.gz IFRYBEONFOFJPR-DOTOQJQBSA-N 1 3 313.486 0.874 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000424455142 416648945 /nfs/dbraw/zinc/64/89/45/416648945.db2.gz MVWUPUUMOCSPMA-CYBMUJFWSA-N 1 3 318.421 0.802 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000424465641 416649873 /nfs/dbraw/zinc/64/98/73/416649873.db2.gz JZNDAPRHNXRCIL-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424482623 416654552 /nfs/dbraw/zinc/65/45/52/416654552.db2.gz USBKQYBEHNNCNW-HZSPNIEDSA-N 1 3 308.430 0.230 20 0 DCADHO [NH3+]CCc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641230536 416746929 /nfs/dbraw/zinc/74/69/29/416746929.db2.gz SESKUJYVJDMZOD-INIZCTEOSA-N 1 3 301.394 0.416 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCNC(=O)C3)CC2)CC1 ZINC000514948228 416685538 /nfs/dbraw/zinc/68/55/38/416685538.db2.gz XVSASBFFHVHCOA-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(N(C)C)n2C)CC1 ZINC000425341456 416696258 /nfs/dbraw/zinc/69/62/58/416696258.db2.gz FVSKAXALCVOFBI-UHFFFAOYSA-N 1 3 309.458 0.811 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756451 416711976 /nfs/dbraw/zinc/71/19/76/416711976.db2.gz DQABDGQYPCCMEQ-NEPJUHHUSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756451 416711980 /nfs/dbraw/zinc/71/19/80/416711980.db2.gz DQABDGQYPCCMEQ-NEPJUHHUSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000442756451 416711986 /nfs/dbraw/zinc/71/19/86/416711986.db2.gz DQABDGQYPCCMEQ-NEPJUHHUSA-N 1 3 304.394 0.783 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000516939322 416760328 /nfs/dbraw/zinc/76/03/28/416760328.db2.gz UPRWVWQENODENU-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)CCCN1CCCC1 ZINC000631905094 416789127 /nfs/dbraw/zinc/78/91/27/416789127.db2.gz FSPBOIOCHQFUDB-ZIAGYGMSSA-N 1 3 303.472 0.909 20 0 DCADHO CCCCN(C)CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631920215 416802188 /nfs/dbraw/zinc/80/21/88/416802188.db2.gz UZSBKZUWUPXBEB-UHFFFAOYSA-N 1 3 306.476 0.237 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000631931614 416810507 /nfs/dbraw/zinc/81/05/07/416810507.db2.gz LYNJGIAXRPNIAN-KGLIPLIRSA-N 1 3 301.456 0.486 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000518526139 416861806 /nfs/dbraw/zinc/86/18/06/416861806.db2.gz JNQRCNQWZFDWEN-CQSZACIVSA-N 1 3 311.426 0.520 20 0 DCADHO [NH3+]CC[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)C(F)F ZINC000518531874 416862605 /nfs/dbraw/zinc/86/26/05/416862605.db2.gz GCUJELFWKVETJL-NWDGAFQWSA-N 1 3 305.369 0.729 20 0 DCADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000615610698 416870209 /nfs/dbraw/zinc/87/02/09/416870209.db2.gz ZZORUXAHGKVSJA-NVXWUHKLSA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000615610698 416870214 /nfs/dbraw/zinc/87/02/14/416870214.db2.gz ZZORUXAHGKVSJA-NVXWUHKLSA-N 1 3 306.454 0.321 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000565238289 416956507 /nfs/dbraw/zinc/95/65/07/416956507.db2.gz GDUMOTYSQMGUON-CABCVRRESA-N 1 3 316.405 0.132 20 0 DCADHO NC(=O)c1cccnc1N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000565046886 416916324 /nfs/dbraw/zinc/91/63/24/416916324.db2.gz WJASZMMGPAPMAS-ZDUSSCGKSA-N 1 3 303.410 0.302 20 0 DCADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624006698 416936790 /nfs/dbraw/zinc/93/67/90/416936790.db2.gz CCTQNNHWDUBSJQ-CYBMUJFWSA-N 1 3 313.409 0.655 20 0 DCADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624006698 416936797 /nfs/dbraw/zinc/93/67/97/416936797.db2.gz CCTQNNHWDUBSJQ-CYBMUJFWSA-N 1 3 313.409 0.655 20 0 DCADHO C[NH+](C)[C@H](CNc1nc(N)nc(N)n1)c1ccc(Cl)cc1 ZINC000624014113 416937448 /nfs/dbraw/zinc/93/74/48/416937448.db2.gz RNYMRERMLMSXON-SNVBAGLBSA-N 1 3 307.789 0.487 20 0 DCADHO C[C@H]1C[C@@H](Nc2nc(N)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000624025063 416940972 /nfs/dbraw/zinc/94/09/72/416940972.db2.gz KQTXCHSFOVGICU-AAEUAGOBSA-N 1 3 313.409 0.584 20 0 DCADHO C[C@H]1C[C@@H](Nc2nc(N)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000624025063 416940976 /nfs/dbraw/zinc/94/09/76/416940976.db2.gz KQTXCHSFOVGICU-AAEUAGOBSA-N 1 3 313.409 0.584 20 0 DCADHO COCCN(C)CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376329164 417026916 /nfs/dbraw/zinc/02/69/16/417026916.db2.gz YVOGHRAPAZYWSA-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000637092203 416982955 /nfs/dbraw/zinc/98/29/55/416982955.db2.gz YEWXZMXJDGHYPL-GJZGRUSLSA-N 1 3 310.442 0.369 20 0 DCADHO CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000521005265 416987417 /nfs/dbraw/zinc/98/74/17/416987417.db2.gz TUEPKDJKVHQBBM-GJZGRUSLSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237548593 298993912 /nfs/dbraw/zinc/99/39/12/298993912.db2.gz RHBQDFDOXDTYDT-BFHYXJOUSA-N 1 3 310.442 0.125 20 0 DCADHO CN(CCN1C(=O)c2ccccc2C1=O)CCN1CC[NH2+]CC1 ZINC000390946531 417101539 /nfs/dbraw/zinc/10/15/39/417101539.db2.gz OOTSIKZOHLBOPK-UHFFFAOYSA-N 1 3 316.405 0.120 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376765083 417037422 /nfs/dbraw/zinc/03/74/22/417037422.db2.gz GPCXNKVJFMPZFL-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642330375 417045432 /nfs/dbraw/zinc/04/54/32/417045432.db2.gz BRCSKDVGMJZVAU-MCIONIFRSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000642439496 417051872 /nfs/dbraw/zinc/05/18/72/417051872.db2.gz JKHHSSKZOJAUTM-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000642440212 417054475 /nfs/dbraw/zinc/05/44/75/417054475.db2.gz ZKHKDTSFLOZHAP-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2cncn2C1 ZINC000637263165 417056295 /nfs/dbraw/zinc/05/62/95/417056295.db2.gz GBZDYXXOOHYPMP-UONOGXRCSA-N 1 3 322.457 0.379 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2cncn2C1 ZINC000637263165 417056298 /nfs/dbraw/zinc/05/62/98/417056298.db2.gz GBZDYXXOOHYPMP-UONOGXRCSA-N 1 3 322.457 0.379 20 0 DCADHO C[C@H]([NH3+])CC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000430708955 417063421 /nfs/dbraw/zinc/06/34/21/417063421.db2.gz LMTJOVPUEVOFLR-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642732145 417084358 /nfs/dbraw/zinc/08/43/58/417084358.db2.gz HOSFNYDYQDYTDT-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[NH+]1CCC(N(C)C[C@H](O)CN(C)CCOC)CC1 ZINC000568165286 417087645 /nfs/dbraw/zinc/08/76/45/417087645.db2.gz KFFRKCXJXCYDNF-MRXNPFEDSA-N 1 3 301.475 0.732 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000419414691 287348825 /nfs/dbraw/zinc/34/88/25/287348825.db2.gz UGNOARDJOVQBTE-ILXRZTDVSA-N 1 3 324.469 0.468 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000642901835 417112364 /nfs/dbraw/zinc/11/23/64/417112364.db2.gz FMKYGIWOIXXRKQ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000642905838 417115893 /nfs/dbraw/zinc/11/58/93/417115893.db2.gz VHERMEODYMUPKW-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000642930336 417129678 /nfs/dbraw/zinc/12/96/78/417129678.db2.gz ALLVCGYTABJAFB-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642985836 417138536 /nfs/dbraw/zinc/13/85/36/417138536.db2.gz CHYHCQWEPSCNCE-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000642983379 417138725 /nfs/dbraw/zinc/13/87/25/417138725.db2.gz APVWROABWKFGTM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+](C)C ZINC000568517458 417148691 /nfs/dbraw/zinc/14/86/91/417148691.db2.gz MXACLIPDUVXMLS-ZIAGYGMSSA-N 1 3 308.430 0.487 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000432523696 417187874 /nfs/dbraw/zinc/18/78/74/417187874.db2.gz OQGAGVOVHBZBPQ-DMRZNYOFSA-N 1 3 303.406 0.661 20 0 DCADHO C[N@H+](C[C@H](O)CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C1CC1 ZINC000411973885 417206706 /nfs/dbraw/zinc/20/67/06/417206706.db2.gz SIMSDWHJWMJEAU-BBWFWOEESA-N 1 3 317.433 0.642 20 0 DCADHO C[N@@H+](C[C@H](O)CN1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)C1CC1 ZINC000411973885 417206711 /nfs/dbraw/zinc/20/67/11/417206711.db2.gz SIMSDWHJWMJEAU-BBWFWOEESA-N 1 3 317.433 0.642 20 0 DCADHO CN1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000637863413 417210691 /nfs/dbraw/zinc/21/06/91/417210691.db2.gz BJUPAFWDJKZSOP-IRXDYDNUSA-N 1 3 316.449 0.610 20 0 DCADHO CN1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](CN)C1 ZINC000637863413 417210698 /nfs/dbraw/zinc/21/06/98/417210698.db2.gz BJUPAFWDJKZSOP-IRXDYDNUSA-N 1 3 316.449 0.610 20 0 DCADHO CN(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000643460847 417215329 /nfs/dbraw/zinc/21/53/29/417215329.db2.gz PBERHAFTVFEVKJ-MCIONIFRSA-N 1 3 303.472 0.778 20 0 DCADHO CCc1cc(NCCCCN2CCN(CCO)CC2)cc[nH+]1 ZINC000450335656 417217589 /nfs/dbraw/zinc/21/75/89/417217589.db2.gz ZHCUUSHPTZZJSO-UHFFFAOYSA-N 1 3 306.454 0.868 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643505648 417228919 /nfs/dbraw/zinc/22/89/19/417228919.db2.gz NLURXNCOXUEPEX-PBHICJAKSA-N 1 3 322.453 0.141 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000433174416 417239876 /nfs/dbraw/zinc/23/98/76/417239876.db2.gz JCGLXEFSSYSNCN-UHFFFAOYSA-N 1 3 308.470 0.933 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)[C@@H]1C[NH3+] ZINC000643593275 417249361 /nfs/dbraw/zinc/24/93/61/417249361.db2.gz WBYSUUZSYZDFPA-RBSFLKMASA-N 1 3 322.453 0.269 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433389489 417262485 /nfs/dbraw/zinc/26/24/85/417262485.db2.gz XTQNGLLMCPEFDL-ZIAGYGMSSA-N 1 3 320.441 0.759 20 0 DCADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H](N2CCCCC2)C1 ZINC000633088598 417350777 /nfs/dbraw/zinc/35/07/77/417350777.db2.gz ICWTVFYPQWNJGI-QLFBSQMISA-N 1 3 320.437 0.036 20 0 DCADHO C[C@@H]1CN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@H]1[NH3+] ZINC000632961919 417302955 /nfs/dbraw/zinc/30/29/55/417302955.db2.gz WQOPGSWYOSZSIM-BXUZGUMPSA-N 1 3 306.414 0.961 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000632963300 417304111 /nfs/dbraw/zinc/30/41/11/417304111.db2.gz XAYNNWAVYPQXGV-LBPRGKRZSA-N 1 3 306.414 0.975 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000414872536 417310732 /nfs/dbraw/zinc/31/07/32/417310732.db2.gz FPKBAVWVNYFUDX-OAHLLOKOSA-N 1 3 318.421 0.801 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000633034300 417329228 /nfs/dbraw/zinc/32/92/28/417329228.db2.gz LZLFWMPCMPVPBJ-GASCZTMLSA-N 1 3 316.405 0.650 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@]1(COC)CCCCN1 ZINC000638130634 417345691 /nfs/dbraw/zinc/34/56/91/417345691.db2.gz LUTUZJUVAPINDH-GOEBONIOSA-N 1 3 315.458 0.618 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638271177 417398080 /nfs/dbraw/zinc/39/80/80/417398080.db2.gz UKWZMQQRDZCNNO-LSDHHAIUSA-N 1 3 304.438 0.702 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000570839523 417399358 /nfs/dbraw/zinc/39/93/58/417399358.db2.gz LKNKQTWXVMSOKK-OAHLLOKOSA-N 1 3 306.410 0.665 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000570962120 417410768 /nfs/dbraw/zinc/41/07/68/417410768.db2.gz JJLPMCOMSCZHKP-UHFFFAOYSA-N 1 3 306.414 0.369 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000638293816 417412768 /nfs/dbraw/zinc/41/27/68/417412768.db2.gz SBTPTNKUDHTYOD-HIFRSBDPSA-N 1 3 312.458 0.914 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638338205 417425193 /nfs/dbraw/zinc/42/51/93/417425193.db2.gz TZELJNMNTMEKDO-HOTGVXAUSA-N 1 3 303.406 0.613 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638338205 417425198 /nfs/dbraw/zinc/42/51/98/417425198.db2.gz TZELJNMNTMEKDO-HOTGVXAUSA-N 1 3 303.406 0.613 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571149323 417425841 /nfs/dbraw/zinc/42/58/41/417425841.db2.gz UJVXJMRKRFAZFG-LSDHHAIUSA-N 1 3 311.474 0.249 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571149323 417425846 /nfs/dbraw/zinc/42/58/46/417425846.db2.gz UJVXJMRKRFAZFG-LSDHHAIUSA-N 1 3 311.474 0.249 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571149320 417426970 /nfs/dbraw/zinc/42/69/70/417426970.db2.gz UJVXJMRKRFAZFG-CABCVRRESA-N 1 3 311.474 0.249 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571149320 417426974 /nfs/dbraw/zinc/42/69/74/417426974.db2.gz UJVXJMRKRFAZFG-CABCVRRESA-N 1 3 311.474 0.249 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638221791 417380050 /nfs/dbraw/zinc/38/00/50/417380050.db2.gz ZCYVFDDDRDWCON-DOTOQJQBSA-N 1 3 304.438 0.643 20 0 DCADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1O ZINC000571206305 417435033 /nfs/dbraw/zinc/43/50/33/417435033.db2.gz OPTUWNKVKOHCGY-JYJNAYRXSA-N 1 3 309.454 0.917 20 0 DCADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1O ZINC000571206305 417435037 /nfs/dbraw/zinc/43/50/37/417435037.db2.gz OPTUWNKVKOHCGY-JYJNAYRXSA-N 1 3 309.454 0.917 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000638388034 417437663 /nfs/dbraw/zinc/43/76/63/417437663.db2.gz NTVYDJRDSOZVFF-OAHLLOKOSA-N 1 3 304.438 0.691 20 0 DCADHO CN1CCN(CCNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000529329544 417441492 /nfs/dbraw/zinc/44/14/92/417441492.db2.gz JPCSNVJLFVILQX-AWEZNQCLSA-N 1 3 323.485 0.596 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000638397857 417442805 /nfs/dbraw/zinc/44/28/05/417442805.db2.gz QSULEDOGPJAWIS-KGLIPLIRSA-N 1 3 301.431 0.310 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507288 417478189 /nfs/dbraw/zinc/47/81/89/417478189.db2.gz CHNZTZNZHJOSEE-JRATXPSKSA-N 1 3 307.438 0.920 20 0 DCADHO COC[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OC ZINC000634711627 417531540 /nfs/dbraw/zinc/53/15/40/417531540.db2.gz RWADPEJOCONOHD-DLBZAZTESA-N 1 3 308.422 0.874 20 0 DCADHO COC[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000634711627 417531543 /nfs/dbraw/zinc/53/15/43/417531543.db2.gz RWADPEJOCONOHD-DLBZAZTESA-N 1 3 308.422 0.874 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000575745764 417545833 /nfs/dbraw/zinc/54/58/33/417545833.db2.gz QQQVOAVMAYMUKS-NUEKZKHPSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000575745764 417545838 /nfs/dbraw/zinc/54/58/38/417545838.db2.gz QQQVOAVMAYMUKS-NUEKZKHPSA-N 1 3 307.438 0.840 20 0 DCADHO C(CN1C[C@H]2CC[C@@H](C1)O2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239780 417555726 /nfs/dbraw/zinc/55/57/26/417555726.db2.gz HVJNTMWUMLTFNJ-OKZBNKHCSA-N 1 3 323.481 0.940 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000638592882 417500027 /nfs/dbraw/zinc/50/00/27/417500027.db2.gz UHQRBFILJTWESJ-WOSRLPQWSA-N 1 3 313.442 0.213 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)CC1 ZINC000644228762 417503456 /nfs/dbraw/zinc/50/34/56/417503456.db2.gz SHSNGIJKZJVZHX-OAGGEKHMSA-N 1 3 309.454 0.822 20 0 DCADHO NC(=O)CCNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000575117082 417512079 /nfs/dbraw/zinc/51/20/79/417512079.db2.gz ZIBQYDHDFQVSFB-HNNXBMFYSA-N 1 3 318.421 0.349 20 0 DCADHO NC(=O)CCNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000575117082 417512083 /nfs/dbraw/zinc/51/20/83/417512083.db2.gz ZIBQYDHDFQVSFB-HNNXBMFYSA-N 1 3 318.421 0.349 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](n2cc(CN)nn2)C1)[NH+](CC)CC ZINC000638906539 417582555 /nfs/dbraw/zinc/58/25/55/417582555.db2.gz UYOKYKDKBMEXQC-KBPBESRZSA-N 1 3 308.430 0.631 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000576256661 417594527 /nfs/dbraw/zinc/59/45/27/417594527.db2.gz NUVCRAIERFYYAT-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000576383420 417604823 /nfs/dbraw/zinc/60/48/23/417604823.db2.gz OYPBWXVXRQNFQD-AWEZNQCLSA-N 1 3 306.410 0.590 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000576383420 417604830 /nfs/dbraw/zinc/60/48/30/417604830.db2.gz OYPBWXVXRQNFQD-AWEZNQCLSA-N 1 3 306.410 0.590 20 0 DCADHO N[C@@H]1CN(C(=O)c2cn(CCC[NH3+])nn2)C[C@H]1c1ccccc1 ZINC000576463551 417611024 /nfs/dbraw/zinc/61/10/24/417611024.db2.gz UKAHKYAAIRCWKE-UONOGXRCSA-N 1 3 314.393 0.194 20 0 DCADHO COCCN1CC[C@H](NC[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644554256 417620041 /nfs/dbraw/zinc/62/00/41/417620041.db2.gz VDODIANCKGAPJR-ROUUACIJSA-N 1 3 321.465 0.790 20 0 DCADHO COCCN1CC[C@H](NC[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644554256 417620042 /nfs/dbraw/zinc/62/00/42/417620042.db2.gz VDODIANCKGAPJR-ROUUACIJSA-N 1 3 321.465 0.790 20 0 DCADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3(C)C)C2)CC1 ZINC000644536926 417617201 /nfs/dbraw/zinc/61/72/01/417617201.db2.gz AKNJOQHVVQQDCZ-HIFRSBDPSA-N 1 3 308.470 0.802 20 0 DCADHO CO[C@@]1(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOC1 ZINC000639172813 417633900 /nfs/dbraw/zinc/63/39/00/417633900.db2.gz OQHSGXXGQFKOTO-IAGOWNOFSA-N 1 3 311.470 0.892 20 0 DCADHO CO[C@@]1(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCOC1 ZINC000639172813 417633904 /nfs/dbraw/zinc/63/39/04/417633904.db2.gz OQHSGXXGQFKOTO-IAGOWNOFSA-N 1 3 311.470 0.892 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](CO)c2cccnc2)CC1 ZINC000639182237 417636629 /nfs/dbraw/zinc/63/66/29/417636629.db2.gz DFLXCQDWRZDJLH-HNNXBMFYSA-N 1 3 307.438 0.982 20 0 DCADHO C[C@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000635457116 417664566 /nfs/dbraw/zinc/66/45/66/417664566.db2.gz CDBDJNOVAMRZPV-OAHLLOKOSA-N 1 3 319.453 0.660 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635498554 417680605 /nfs/dbraw/zinc/68/06/05/417680605.db2.gz GNUZTKZSNODVMT-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635498554 417680609 /nfs/dbraw/zinc/68/06/09/417680609.db2.gz GNUZTKZSNODVMT-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639875809 417760567 /nfs/dbraw/zinc/76/05/67/417760567.db2.gz BBYDLNUQLBBYLD-JKSUJKDBSA-N 1 3 313.486 0.874 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639875809 417760569 /nfs/dbraw/zinc/76/05/69/417760569.db2.gz BBYDLNUQLBBYLD-JKSUJKDBSA-N 1 3 313.486 0.874 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)nn1 ZINC000645635112 417769934 /nfs/dbraw/zinc/76/99/34/417769934.db2.gz IDBKWWREIRAVJM-CYBMUJFWSA-N 1 3 306.414 0.327 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000635703981 417743354 /nfs/dbraw/zinc/74/33/54/417743354.db2.gz PUXYBIDBZSTJQN-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000635703981 417743356 /nfs/dbraw/zinc/74/33/56/417743356.db2.gz PUXYBIDBZSTJQN-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CC[NH+]1CCN(CCNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662524890 417794209 /nfs/dbraw/zinc/79/42/09/417794209.db2.gz CBUBJNKHHHYGIP-UHFFFAOYSA-N 1 3 322.478 0.761 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000635964169 417818943 /nfs/dbraw/zinc/81/89/43/417818943.db2.gz RIVUVUQTEASGBA-CABCVRRESA-N 1 3 315.458 0.522 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652140269 417852222 /nfs/dbraw/zinc/85/22/22/417852222.db2.gz JOGFYUCSAZABTR-YOEHRIQHSA-N 1 3 324.469 0.868 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652149834 417852479 /nfs/dbraw/zinc/85/24/79/417852479.db2.gz CIENQCRQYWRIAY-OAHLLOKOSA-N 1 3 312.458 0.786 20 0 DCADHO CN1CCN(CCCCNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652154841 417853148 /nfs/dbraw/zinc/85/31/48/417853148.db2.gz PVDRDODBMJTOQW-UHFFFAOYSA-N 1 3 311.474 0.442 20 0 DCADHO CN(CCCC[NH+]1CCCCC1)C[C@@H](O)CN1CCOCC1 ZINC000640532803 417864583 /nfs/dbraw/zinc/86/45/83/417864583.db2.gz WFGDKFXSEPJSFT-QGZVFWFLSA-N 1 3 313.486 0.877 20 0 DCADHO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000646557959 417868046 /nfs/dbraw/zinc/86/80/46/417868046.db2.gz WUCGULINRCUVSE-PBHICJAKSA-N 1 3 324.469 0.625 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662713466 417868063 /nfs/dbraw/zinc/86/80/63/417868063.db2.gz WOSVDXNJUKRRMT-ZIAGYGMSSA-N 1 3 320.441 0.759 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662723989 417874017 /nfs/dbraw/zinc/87/40/17/417874017.db2.gz KDQZUINCFNRCMO-SHTZXODSSA-N 1 3 318.421 0.332 20 0 DCADHO CCN(CCO)CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652273736 417877508 /nfs/dbraw/zinc/87/75/08/417877508.db2.gz WFAVDFPRQAEPSF-UHFFFAOYSA-N 1 3 312.389 0.398 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000652288259 417878565 /nfs/dbraw/zinc/87/85/65/417878565.db2.gz ALBBJSYYOBPHDF-MRXNPFEDSA-N 1 3 306.410 0.272 20 0 DCADHO CN(C)C1(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000662739211 417878614 /nfs/dbraw/zinc/87/86/14/417878614.db2.gz DHPSPUBUVFOHFA-HZPDHXFCSA-N 1 3 317.433 0.566 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000631464125 417885641 /nfs/dbraw/zinc/88/56/41/417885641.db2.gz FGXCWKVVGJGRGY-DZGCQCFKSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000631464125 417885645 /nfs/dbraw/zinc/88/56/45/417885645.db2.gz FGXCWKVVGJGRGY-DZGCQCFKSA-N 1 3 307.442 0.857 20 0 DCADHO [NH3+]CC[C@H]([N-]C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(F)(F)F ZINC000662782507 417902433 /nfs/dbraw/zinc/90/24/33/417902433.db2.gz DUIVTVQQWPVDKW-XPUUQOCRSA-N 1 3 307.238 0.924 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)CC1 ZINC000662788886 417906499 /nfs/dbraw/zinc/90/64/99/417906499.db2.gz WECCQNQVOQIDLJ-MRXNPFEDSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858640 417928994 /nfs/dbraw/zinc/92/89/94/417928994.db2.gz HAWIPMKTUAPVHZ-XEZPLFJOSA-N 1 3 305.422 0.853 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652675524 417940470 /nfs/dbraw/zinc/94/04/70/417940470.db2.gz ZDRMEPDNXOHZIJ-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000652682553 417943749 /nfs/dbraw/zinc/94/37/49/417943749.db2.gz NFBMTPVUYFRYGC-UHFFFAOYSA-N 1 3 324.469 0.422 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000652694902 417945446 /nfs/dbraw/zinc/94/54/46/417945446.db2.gz JPZDYOOHJQJMGE-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652692456 417946431 /nfs/dbraw/zinc/94/64/31/417946431.db2.gz VIUGATALENRSGV-UHFFFAOYSA-N 1 3 320.437 0.480 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000652697411 417947719 /nfs/dbraw/zinc/94/77/19/417947719.db2.gz DPTNDXMFTZVXFH-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662921139 417952032 /nfs/dbraw/zinc/95/20/32/417952032.db2.gz DBMZFDNVUURUEC-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662921666 417952809 /nfs/dbraw/zinc/95/28/09/417952809.db2.gz NACBKNMREVSSLI-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714362 417954395 /nfs/dbraw/zinc/95/43/95/417954395.db2.gz JMNGFAWTBMXDBR-UHFFFAOYSA-N 1 3 310.442 0.176 20 0 DCADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)CCN1C ZINC000652725175 417957122 /nfs/dbraw/zinc/95/71/22/417957122.db2.gz ZYIURZFQRFCXQJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@H]1C[NH3+] ZINC000652732194 417960145 /nfs/dbraw/zinc/96/01/45/417960145.db2.gz FVNPZDMPMRDJOI-HUUCEWRRSA-N 1 3 324.469 0.374 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1 ZINC000653105460 418026658 /nfs/dbraw/zinc/02/66/58/418026658.db2.gz WQFCUGOTQQKXJM-UXLLHSPISA-N 1 3 303.406 0.642 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124594 418032377 /nfs/dbraw/zinc/03/23/77/418032377.db2.gz BFERGTYXNLEXSU-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653121802 418033210 /nfs/dbraw/zinc/03/32/10/418033210.db2.gz BYIPCPMCZQXPFZ-DLBZAZTESA-N 1 3 318.465 0.998 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653124920 418034067 /nfs/dbraw/zinc/03/40/67/418034067.db2.gz MCEXZEPJIFNXRJ-VNQPRFMTSA-N 1 3 308.470 0.659 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653125149 418034322 /nfs/dbraw/zinc/03/43/22/418034322.db2.gz UGUUIEJWRUMCOF-HOTGVXAUSA-N 1 3 308.470 0.661 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663611546 418036682 /nfs/dbraw/zinc/03/66/82/418036682.db2.gz KSWDQTNCHOGOAA-KRWDZBQOSA-N 1 3 318.421 0.597 20 0 DCADHO C[NH+](C)CC[C@H](N)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000653152448 418038843 /nfs/dbraw/zinc/03/88/43/418038843.db2.gz NMQDUBQQKSRRIS-INIZCTEOSA-N 1 3 319.453 0.693 20 0 DCADHO CC1(OCC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CNC1 ZINC000653184839 418042008 /nfs/dbraw/zinc/04/20/08/418042008.db2.gz SQLBEKYQAWAXJQ-BFHYXJOUSA-N 1 3 311.426 0.110 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659533054 418113432 /nfs/dbraw/zinc/11/34/32/418113432.db2.gz XPKSWXLIMILCKI-HNNXBMFYSA-N 1 3 308.426 0.459 20 0 DCADHO CC1(OCC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CNC1 ZINC000648177537 418114892 /nfs/dbraw/zinc/11/48/92/418114892.db2.gz GENSMBIMJDQAQU-HIFRSBDPSA-N 1 3 311.426 0.110 20 0 DCADHO CNCc1ccccc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000659095197 418058594 /nfs/dbraw/zinc/05/85/94/418058594.db2.gz ZNTJIPGHISNFIJ-LBPRGKRZSA-N 1 3 306.410 0.801 20 0 DCADHO [NH3+]CCCOC1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000647872354 418068473 /nfs/dbraw/zinc/06/84/73/418068473.db2.gz ZUULSKVXDUXWFZ-GFCCVEGCSA-N 1 3 305.369 0.588 20 0 DCADHO CC(C)(C)C(=O)NC[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000647884543 418070238 /nfs/dbraw/zinc/07/02/38/418070238.db2.gz DDHJVOJNWLBDNZ-HNNXBMFYSA-N 1 3 310.486 0.766 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCN(CCO)CC2)C1 ZINC000664066608 418082668 /nfs/dbraw/zinc/08/26/68/418082668.db2.gz NFWGZDVPIWPSFW-CQSZACIVSA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC2CCN(CCO)CC2)C1 ZINC000664066608 418082671 /nfs/dbraw/zinc/08/26/71/418082671.db2.gz NFWGZDVPIWPSFW-CQSZACIVSA-N 1 3 312.458 0.615 20 0 DCADHO CN(CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000664093382 418084794 /nfs/dbraw/zinc/08/47/94/418084794.db2.gz JRVUVUIAHXWLCW-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CCC[C@H]1CN(C[C@@H](O)C[N@H+](C)CC)CCN1CCOC ZINC000653595111 418093735 /nfs/dbraw/zinc/09/37/35/418093735.db2.gz VTWWPVVDVBTFRU-HOTGVXAUSA-N 1 3 301.475 0.732 20 0 DCADHO CCC[C@H]1CN(C[C@@H](O)C[N@@H+](C)CC)CCN1CCOC ZINC000653595111 418093741 /nfs/dbraw/zinc/09/37/41/418093741.db2.gz VTWWPVVDVBTFRU-HOTGVXAUSA-N 1 3 301.475 0.732 20 0 DCADHO Cn1cncc1CCCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000653588319 418094031 /nfs/dbraw/zinc/09/40/31/418094031.db2.gz OVTZRCFJMMDQDH-MRXNPFEDSA-N 1 3 319.453 0.767 20 0 DCADHO Cn1cncc1CCCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000653588319 418094033 /nfs/dbraw/zinc/09/40/33/418094033.db2.gz OVTZRCFJMMDQDH-MRXNPFEDSA-N 1 3 319.453 0.767 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000659462588 418100481 /nfs/dbraw/zinc/10/04/81/418100481.db2.gz AWDYPXIVHHWTCA-ZDUSSCGKSA-N 1 3 300.447 0.783 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC3CC2(C[NH3+])C3)CCCO1 ZINC000659486880 418104124 /nfs/dbraw/zinc/10/41/24/418104124.db2.gz LIWJUZPUHVUXAJ-VQCLRJIVSA-N 1 3 310.442 0.620 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N2CC3CC2(C[NH3+])C3)CCCO1 ZINC000659486879 418105164 /nfs/dbraw/zinc/10/51/64/418105164.db2.gz LIWJUZPUHVUXAJ-HLIUYOAVSA-N 1 3 310.442 0.620 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](CN)C1 ZINC000659601360 418122811 /nfs/dbraw/zinc/12/28/11/418122811.db2.gz YTDQPAVSGXSCJM-GDBMZVCRSA-N 1 3 323.485 0.678 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](CN)C1 ZINC000659601360 418122815 /nfs/dbraw/zinc/12/28/15/418122815.db2.gz YTDQPAVSGXSCJM-GDBMZVCRSA-N 1 3 323.485 0.678 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000659619280 418128646 /nfs/dbraw/zinc/12/86/46/418128646.db2.gz NATOGMILVWENPC-ZIAGYGMSSA-N 1 3 300.447 0.506 20 0 DCADHO O=C(NCC12CC(C1)C[NH2+]2)N1CCN(c2ccncc2)CC1 ZINC000659620878 418130168 /nfs/dbraw/zinc/13/01/68/418130168.db2.gz ROCJFMKRYJZCBK-UHFFFAOYSA-N 1 3 301.394 0.665 20 0 DCADHO Cc1c(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1C ZINC000664537356 418130447 /nfs/dbraw/zinc/13/04/47/418130447.db2.gz LNIVLIVXFLOMCI-ZDUSSCGKSA-N 1 3 324.473 0.800 20 0 DCADHO Cc1c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1C ZINC000664537356 418130449 /nfs/dbraw/zinc/13/04/49/418130449.db2.gz LNIVLIVXFLOMCI-ZDUSSCGKSA-N 1 3 324.473 0.800 20 0 DCADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632011 418133898 /nfs/dbraw/zinc/13/38/98/418133898.db2.gz NRCGYVDNNFYGAE-ZYHUDNBSSA-N 1 3 320.397 0.019 20 0 DCADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632011 418133900 /nfs/dbraw/zinc/13/39/00/418133900.db2.gz NRCGYVDNNFYGAE-ZYHUDNBSSA-N 1 3 320.397 0.019 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)C1 ZINC000659572654 418120178 /nfs/dbraw/zinc/12/01/78/418120178.db2.gz ZMFKTFWYZZUPMB-HNNXBMFYSA-N 1 3 323.485 0.679 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000659755208 418177663 /nfs/dbraw/zinc/17/76/63/418177663.db2.gz JGSANOUFVMEKHV-GFCCVEGCSA-N 1 3 324.425 0.202 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659685683 418146698 /nfs/dbraw/zinc/14/66/98/418146698.db2.gz TUAROCYPWZWMKS-XOYHFGRZSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659697471 418150482 /nfs/dbraw/zinc/15/04/82/418150482.db2.gz HUJQREWPUNJRSZ-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C1CC1 ZINC000659698742 418151534 /nfs/dbraw/zinc/15/15/34/418151534.db2.gz JGTYZTIDNSSBBU-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659701892 418152919 /nfs/dbraw/zinc/15/29/19/418152919.db2.gz JKZSXOSQTGXKFR-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)C1=CCN(C)CC1 ZINC000659702729 418154188 /nfs/dbraw/zinc/15/41/88/418154188.db2.gz SOFSOVKSWSGMRV-GFCCVEGCSA-N 1 3 308.426 0.141 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000659713139 418157961 /nfs/dbraw/zinc/15/79/61/418157961.db2.gz BWXZOBRVBHVDJZ-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659713322 418158375 /nfs/dbraw/zinc/15/83/75/418158375.db2.gz PAODPKXVZCBWJB-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000659728575 418166184 /nfs/dbraw/zinc/16/61/84/418166184.db2.gz WJIDHRJOWOFUFP-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCC1 ZINC000659733262 418168674 /nfs/dbraw/zinc/16/86/74/418168674.db2.gz RYBPFUVYSXECIK-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659734950 418169211 /nfs/dbraw/zinc/16/92/11/418169211.db2.gz WJEUCTGKNOIWER-ZDUSSCGKSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659734949 418169422 /nfs/dbraw/zinc/16/94/22/418169422.db2.gz WJEUCTGKNOIWER-CYBMUJFWSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)C1 ZINC000659739319 418172571 /nfs/dbraw/zinc/17/25/71/418172571.db2.gz QUFMJEFAHWJXQX-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659741467 418173333 /nfs/dbraw/zinc/17/33/33/418173333.db2.gz MXYGEIUKGPWXRY-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000649336538 418241725 /nfs/dbraw/zinc/24/17/25/418241725.db2.gz BSGLEUYVIMWGCW-IJEWVQPXSA-N 1 3 309.454 0.992 20 0 DCADHO COC1CCN(CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649343346 418244440 /nfs/dbraw/zinc/24/44/40/418244440.db2.gz ZUIRZWAYYHPVMT-GFCCVEGCSA-N 1 3 305.369 0.458 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649076684 418194530 /nfs/dbraw/zinc/19/45/30/418194530.db2.gz AYWZNNJFPMFGGV-KBPBESRZSA-N 1 3 310.442 0.439 20 0 DCADHO CO[C@H](C[NH+]1CCC(N(C)CCCO)CC1)[C@@H]1CCOC1 ZINC000659931996 418202459 /nfs/dbraw/zinc/20/24/59/418202459.db2.gz XEBMHBJJMSIOBK-GDBMZVCRSA-N 1 3 300.443 0.817 20 0 DCADHO O=C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000649419121 418253575 /nfs/dbraw/zinc/25/35/75/418253575.db2.gz GENVFFWAIMQHKM-BBRMVZONSA-N 1 3 306.454 0.413 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000649322789 418236721 /nfs/dbraw/zinc/23/67/21/418236721.db2.gz MLAWZEUAZFFKJV-HNNXBMFYSA-N 1 3 317.437 0.562 20 0 DCADHO CCN1CCN(CCC[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655689052 418287997 /nfs/dbraw/zinc/28/79/97/418287997.db2.gz UDGGDCDACDKNKM-SFHVURJKSA-N 1 3 324.513 0.857 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000660782710 418290107 /nfs/dbraw/zinc/29/01/07/418290107.db2.gz GSIKHXAASDSTAS-PKSOCPPESA-N 1 3 323.481 0.957 20 0 DCADHO C[NH+]1CCC(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000660822253 418292002 /nfs/dbraw/zinc/29/20/02/418292002.db2.gz OFURKAIYUJBZCO-OAHLLOKOSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655916811 418299641 /nfs/dbraw/zinc/29/96/41/418299641.db2.gz IOYBFNASMOCUAO-NXEZZACHSA-N 1 3 312.336 0.286 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022027 418318422 /nfs/dbraw/zinc/31/84/22/418318422.db2.gz RYRJBKUQWWWOGC-SOUVJXGZSA-N 1 3 322.453 0.235 20 0 DCADHO [NH3+]C1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656022395 418318613 /nfs/dbraw/zinc/31/86/13/418318613.db2.gz YGFSOZRVVBLIEU-CVSAEHQPSA-N 1 3 322.453 0.506 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656020947 418318695 /nfs/dbraw/zinc/31/86/95/418318695.db2.gz YQMYPAZXZNZWQG-ILXRZTDVSA-N 1 3 322.453 0.235 20 0 DCADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000656023212 418319902 /nfs/dbraw/zinc/31/99/02/418319902.db2.gz YJYVJBSYSTZWIB-QLFBSQMISA-N 1 3 322.453 0.378 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656028857 418321428 /nfs/dbraw/zinc/32/14/28/418321428.db2.gz SHMGREYPAPTMRP-SOUVJXGZSA-N 1 3 322.453 0.459 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656029389 418322153 /nfs/dbraw/zinc/32/21/53/418322153.db2.gz ZFUXMIMCJVGXEH-ZNMIVQPWSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656083015 418325339 /nfs/dbraw/zinc/32/53/39/418325339.db2.gz CFFWZEDFLKKNMD-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO Cc1cncc(CCN2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000649558334 418260654 /nfs/dbraw/zinc/26/06/54/418260654.db2.gz KFEDZOPAMZMZQK-UHFFFAOYSA-N 1 3 319.453 0.717 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H](N2CCOCC2)CC1 ZINC000660474873 418262420 /nfs/dbraw/zinc/26/24/20/418262420.db2.gz OEPBJQUNDMEZSP-DLBZAZTESA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H](N2CCOCC2)CC1 ZINC000660474873 418262422 /nfs/dbraw/zinc/26/24/22/418262422.db2.gz OEPBJQUNDMEZSP-DLBZAZTESA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474873 418262424 /nfs/dbraw/zinc/26/24/24/418262424.db2.gz OEPBJQUNDMEZSP-DLBZAZTESA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660474873 418262427 /nfs/dbraw/zinc/26/24/27/418262427.db2.gz OEPBJQUNDMEZSP-DLBZAZTESA-N 1 3 313.486 0.874 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449329 418263113 /nfs/dbraw/zinc/26/31/13/418263113.db2.gz BWHPJOVJLMRBDR-BFYDXBDKSA-N 1 3 308.470 0.518 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(CCN(C)C)C(=O)C1 ZINC000649685066 418267449 /nfs/dbraw/zinc/26/74/49/418267449.db2.gz MPYDACTZTLSPOC-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(CCN(C)C)C(=O)C1 ZINC000649685066 418267451 /nfs/dbraw/zinc/26/74/51/418267451.db2.gz MPYDACTZTLSPOC-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@H](Cn1ccnc1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000656540260 418361024 /nfs/dbraw/zinc/36/10/24/418361024.db2.gz FHULLDILDTUASF-LSDHHAIUSA-N 1 3 324.473 0.843 20 0 DCADHO C[C@H](Cn1ccnc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000656540260 418361026 /nfs/dbraw/zinc/36/10/26/418361026.db2.gz FHULLDILDTUASF-LSDHHAIUSA-N 1 3 324.473 0.843 20 0 DCADHO N[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)c1ccccc1 ZINC000662414426 418408541 /nfs/dbraw/zinc/40/85/41/418408541.db2.gz ZBTOCTMRTCDWSY-AWEZNQCLSA-N 1 3 314.393 0.632 20 0 DCADHO CN(C)CCOCCNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000471645258 287518627 /nfs/dbraw/zinc/51/86/27/287518627.db2.gz XWSDRJYKMRMREV-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO COc1cnccc1N1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000492032336 287561963 /nfs/dbraw/zinc/56/19/63/287561963.db2.gz OFJMNDMUIGOKGA-SNAWJCMRSA-N 1 3 304.394 0.857 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354644645 261249801 /nfs/dbraw/zinc/24/98/01/261249801.db2.gz GKSHOJKXPUOCDZ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354644645 261249805 /nfs/dbraw/zinc/24/98/05/261249805.db2.gz GKSHOJKXPUOCDZ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354943481 261290628 /nfs/dbraw/zinc/29/06/28/261290628.db2.gz SJUBEKZXDYKBQH-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354943481 261290629 /nfs/dbraw/zinc/29/06/29/261290629.db2.gz SJUBEKZXDYKBQH-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CN(CCNC(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC1 ZINC000355181826 261316150 /nfs/dbraw/zinc/31/61/50/261316150.db2.gz PVZFKHJIGURGEE-UHFFFAOYSA-N 1 3 312.458 0.569 20 0 DCADHO CN(CCNC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC1 ZINC000355181826 261316152 /nfs/dbraw/zinc/31/61/52/261316152.db2.gz PVZFKHJIGURGEE-UHFFFAOYSA-N 1 3 312.458 0.569 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000355282464 261325835 /nfs/dbraw/zinc/32/58/35/261325835.db2.gz RXIUCJHECQKKKL-BFHYXJOUSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000362565827 262047414 /nfs/dbraw/zinc/04/74/14/262047414.db2.gz CZGRHTQUHAJONU-AAEUAGOBSA-N 1 3 303.410 0.795 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363282746 262110120 /nfs/dbraw/zinc/11/01/20/262110120.db2.gz ODDXSIYPMJUKLD-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363282746 262110121 /nfs/dbraw/zinc/11/01/21/262110121.db2.gz ODDXSIYPMJUKLD-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370819143 262152888 /nfs/dbraw/zinc/15/28/88/262152888.db2.gz JCKWUXPSJKCDRA-INIZCTEOSA-N 1 3 310.486 0.954 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370819143 262152891 /nfs/dbraw/zinc/15/28/91/262152891.db2.gz JCKWUXPSJKCDRA-INIZCTEOSA-N 1 3 310.486 0.954 20 0 DCADHO CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)NC1CC[NH+](CC)CC1 ZINC000411529906 262173066 /nfs/dbraw/zinc/17/30/66/262173066.db2.gz IPOBSSJCFPDBRS-CHWSQXEVSA-N 1 3 313.442 0.764 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000416969874 262242485 /nfs/dbraw/zinc/24/24/85/262242485.db2.gz LRIUHUJCHYNUHK-CQSZACIVSA-N 1 3 306.410 0.870 20 0 DCADHO [NH3+]CCN(CCO)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417016523 262243230 /nfs/dbraw/zinc/24/32/30/262243230.db2.gz GJXVZFXDFNKUDR-INIZCTEOSA-N 1 3 320.437 0.786 20 0 DCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417048274 262244591 /nfs/dbraw/zinc/24/45/91/262244591.db2.gz RJUUHUZFKHEPJE-GJZGRUSLSA-N 1 3 312.458 0.786 20 0 DCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417048274 262244592 /nfs/dbraw/zinc/24/45/92/262244592.db2.gz RJUUHUZFKHEPJE-GJZGRUSLSA-N 1 3 312.458 0.786 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NC1CCN(CCOC)CC1 ZINC000417297056 262249526 /nfs/dbraw/zinc/24/95/26/262249526.db2.gz NGZCPZVUVZILSG-UHFFFAOYSA-N 1 3 300.447 0.914 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417303805 262249824 /nfs/dbraw/zinc/24/98/24/262249824.db2.gz YJSRNVYVQVPVTI-UKRRQHHQSA-N 1 3 312.458 0.866 20 0 DCADHO C[NH2+]CCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417363164 262250528 /nfs/dbraw/zinc/25/05/28/262250528.db2.gz FOANRAXUDQKVPG-UHFFFAOYSA-N 1 3 320.441 0.112 20 0 DCADHO COCCCN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000417440450 262252060 /nfs/dbraw/zinc/25/20/60/262252060.db2.gz OEPZWDZPNALSIW-CQSZACIVSA-N 1 3 312.458 0.929 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000417749326 262260108 /nfs/dbraw/zinc/26/01/08/262260108.db2.gz JKATVVUATICDLO-LSDHHAIUSA-N 1 3 313.490 0.543 20 0 DCADHO CC[NH2+]CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000417819070 262262752 /nfs/dbraw/zinc/26/27/52/262262752.db2.gz XENBINAMRUOXSJ-UHFFFAOYSA-N 1 3 300.447 0.785 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417942043 262266034 /nfs/dbraw/zinc/26/60/34/262266034.db2.gz BFFOXKHHZQAINX-LBPRGKRZSA-N 1 3 309.414 0.559 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417992176 262267027 /nfs/dbraw/zinc/26/70/27/262267027.db2.gz MBXGWYSUVSMOND-JKSUJKDBSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCCN1C ZINC000418005689 262267749 /nfs/dbraw/zinc/26/77/49/262267749.db2.gz PLTDFUYCCSUXGF-QLFBSQMISA-N 1 3 324.469 0.866 20 0 DCADHO CN(C)CCOCCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418061614 262268924 /nfs/dbraw/zinc/26/89/24/262268924.db2.gz DOKOHYZKFRQZCH-UHFFFAOYSA-N 1 3 308.426 0.735 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000418096877 262269640 /nfs/dbraw/zinc/26/96/40/262269640.db2.gz JMQRCYVNBHYNGD-CYBMUJFWSA-N 1 3 300.447 0.642 20 0 DCADHO CN1CCN(CCNC(=O)N2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000418159617 262271626 /nfs/dbraw/zinc/27/16/26/262271626.db2.gz CQYNCFLFEWZUNZ-CQSZACIVSA-N 1 3 311.474 0.535 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CCCN1CCCO)[C@H]1CCC[NH2+]C1 ZINC000418314021 262274054 /nfs/dbraw/zinc/27/40/54/262274054.db2.gz RLCCWHGTKKDQPU-SOUVJXGZSA-N 1 3 312.458 0.521 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418529721 262281681 /nfs/dbraw/zinc/28/16/81/262281681.db2.gz UAAKSZABTLQFJL-KBMXLJTQSA-N 1 3 320.437 0.516 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418667578 262285396 /nfs/dbraw/zinc/28/53/96/262285396.db2.gz HHDTYPFHJWSOCE-DOTOQJQBSA-N 1 3 320.437 0.832 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418803452 262291102 /nfs/dbraw/zinc/29/11/02/262291102.db2.gz WHADASAEPOEDKC-VNHYZAJKSA-N 1 3 303.410 0.603 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])c1ccccc1 ZINC000418863310 262294463 /nfs/dbraw/zinc/29/44/63/262294463.db2.gz PGZUTTLNLLCSRD-HIFRSBDPSA-N 1 3 320.437 0.649 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418967101 262300682 /nfs/dbraw/zinc/30/06/82/262300682.db2.gz RNOYPWLRDIVIOD-CQSZACIVSA-N 1 3 320.437 0.349 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419018037 262305426 /nfs/dbraw/zinc/30/54/26/262305426.db2.gz BIZKTWZYKCZEFC-MGPQQGTHSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419076311 262306562 /nfs/dbraw/zinc/30/65/62/262306562.db2.gz HDTXKDODTNRYRO-KBPBESRZSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419080682 262307159 /nfs/dbraw/zinc/30/71/59/262307159.db2.gz PYONBCQNNAKUJM-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419080061 262307381 /nfs/dbraw/zinc/30/73/81/262307381.db2.gz OIVCLGXZLGRDJD-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000419083354 262307607 /nfs/dbraw/zinc/30/76/07/262307607.db2.gz WORBBZSNACUYLY-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419103448 262309256 /nfs/dbraw/zinc/30/92/56/262309256.db2.gz GBUKCRTUWAWWGG-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419119468 262310469 /nfs/dbraw/zinc/31/04/69/262310469.db2.gz JXAHXFZDSKNMPZ-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419125819 262310829 /nfs/dbraw/zinc/31/08/29/262310829.db2.gz USYUHHUNHMVOOP-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000419129058 262311456 /nfs/dbraw/zinc/31/14/56/262311456.db2.gz AHETVBCPEDSIKX-RBSFLKMASA-N 1 3 324.469 0.609 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419165417 262315662 /nfs/dbraw/zinc/31/56/62/262315662.db2.gz GIYZXDVEAYXOPU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419282364 262323937 /nfs/dbraw/zinc/32/39/37/262323937.db2.gz IHOHVFMUIXLQCO-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000419418445 262331868 /nfs/dbraw/zinc/33/18/68/262331868.db2.gz YHXGXUOEUXGFIU-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419419966 262332664 /nfs/dbraw/zinc/33/26/64/262332664.db2.gz JMERZRGVAQURHJ-NFAWXSAZSA-N 1 3 324.469 0.324 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H](C)CN1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000419424889 262333037 /nfs/dbraw/zinc/33/30/37/262333037.db2.gz PAAGYUQCHHFATJ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)N(C)C1CC1 ZINC000419588020 262338880 /nfs/dbraw/zinc/33/88/80/262338880.db2.gz NZSFNMDSMYDQFK-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419596090 262339600 /nfs/dbraw/zinc/33/96/00/262339600.db2.gz XPGRWRPFERFKHF-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419595805 262339763 /nfs/dbraw/zinc/33/97/63/262339763.db2.gz XFVJVVODUQTBGD-XJKSGUPXSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000419642602 262343846 /nfs/dbraw/zinc/34/38/46/262343846.db2.gz MKRXRIIQVYRVHW-UHFFFAOYSA-N 1 3 318.421 0.186 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419696990 262346746 /nfs/dbraw/zinc/34/67/46/262346746.db2.gz NICIQASVMCGIQO-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419698412 262347773 /nfs/dbraw/zinc/34/77/73/262347773.db2.gz SISIETUQTLWGGK-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419981083 262355544 /nfs/dbraw/zinc/35/55/44/262355544.db2.gz RQKRRECAQLXRLG-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420075386 262359376 /nfs/dbraw/zinc/35/93/76/262359376.db2.gz SFBYIAMVOMAPJJ-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420367360 262372136 /nfs/dbraw/zinc/37/21/36/262372136.db2.gz VOBJDGUPWHQRBK-PMPSAXMXSA-N 1 3 306.406 0.945 20 0 DCADHO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420367360 262372138 /nfs/dbraw/zinc/37/21/38/262372138.db2.gz VOBJDGUPWHQRBK-PMPSAXMXSA-N 1 3 306.406 0.945 20 0 DCADHO COC(=O)C[C@H]1CCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420367360 262372139 /nfs/dbraw/zinc/37/21/39/262372139.db2.gz VOBJDGUPWHQRBK-PMPSAXMXSA-N 1 3 306.406 0.945 20 0 DCADHO CN(CCN)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423249311 262434266 /nfs/dbraw/zinc/43/42/66/262434266.db2.gz OPMRQDJCTWUDQO-HNNXBMFYSA-N 1 3 324.469 0.518 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423628399 262451123 /nfs/dbraw/zinc/45/11/23/262451123.db2.gz WFNPHRGFLFSIHI-LSDHHAIUSA-N 1 3 322.453 0.413 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H]1CN)C(C)C ZINC000423647955 262452551 /nfs/dbraw/zinc/45/25/51/262452551.db2.gz NKQBTANXVUBRFN-AWEZNQCLSA-N 1 3 312.458 0.513 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)[C@H]1CN ZINC000423726121 262457251 /nfs/dbraw/zinc/45/72/51/262457251.db2.gz IDXQKWHYMDXRIT-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000361276277 271177150 /nfs/dbraw/zinc/17/71/50/271177150.db2.gz YBQHXKWDRCGACD-RDJZCZTQSA-N 1 3 307.438 0.842 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[NH2+]C1CC1 ZINC000418283611 271240803 /nfs/dbraw/zinc/24/08/03/271240803.db2.gz AEMBEDOFVMYZTB-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418621696 271249120 /nfs/dbraw/zinc/24/91/20/271249120.db2.gz UAAKSZABTLQFJL-BPUTZDHNSA-N 1 3 320.437 0.516 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418712033 271250445 /nfs/dbraw/zinc/25/04/45/271250445.db2.gz NPMIXCCCHBUUKZ-RDJZCZTQSA-N 1 3 320.437 0.660 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418717808 271251588 /nfs/dbraw/zinc/25/15/88/271251588.db2.gz ZWSWPSPFZJDFHK-ZIAGYGMSSA-N 1 3 300.447 0.650 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419025175 271265920 /nfs/dbraw/zinc/26/59/20/271265920.db2.gz MEZMSPPXGIZKBS-CBBWQLFWSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419033167 271269444 /nfs/dbraw/zinc/26/94/44/271269444.db2.gz XZLGIIYPXUCQCF-HESLUPGFSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419043695 271269635 /nfs/dbraw/zinc/26/96/35/271269635.db2.gz KCORLHOAJVIQAZ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419032846 271269936 /nfs/dbraw/zinc/26/99/36/271269936.db2.gz XKTDTQQLPYLFQU-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000419401353 271289183 /nfs/dbraw/zinc/28/91/83/271289183.db2.gz AXKUOYXXSWZHFO-CQSZACIVSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419432234 271290050 /nfs/dbraw/zinc/29/00/50/271290050.db2.gz YBGUIKZYXVGEGT-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000419530742 271298844 /nfs/dbraw/zinc/29/88/44/271298844.db2.gz ZJPAWMYCLSXQSE-CFVMTHIKSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N(C)C1CC1 ZINC000419577939 271309698 /nfs/dbraw/zinc/30/96/98/271309698.db2.gz DJPWTCRMOBARDA-FRRDWIJNSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N(C)C1CC1 ZINC000419577936 271309991 /nfs/dbraw/zinc/30/99/91/271309991.db2.gz DJPWTCRMOBARDA-AGIUHOORSA-N 1 3 310.442 0.029 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419575750 271310044 /nfs/dbraw/zinc/31/00/44/271310044.db2.gz BDAHGHAKSDLJNF-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N(C)C1CC1 ZINC000419579496 271310775 /nfs/dbraw/zinc/31/07/75/271310775.db2.gz GHGJQYZXANTHLH-DYEKYZERSA-N 1 3 310.442 0.314 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N(C)C1CC1 ZINC000419580918 271311457 /nfs/dbraw/zinc/31/14/57/271311457.db2.gz HYHHMPLJMAPXPC-MBNYWOFBSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N(C)CC[NH3+])c1ccccc1 ZINC000419658799 271316696 /nfs/dbraw/zinc/31/66/96/271316696.db2.gz YZOQFCXNKIETTI-CYBMUJFWSA-N 1 3 320.437 0.649 20 0 DCADHO CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](CN)C1CC1)C(C)C ZINC000419670983 271320229 /nfs/dbraw/zinc/32/02/29/271320229.db2.gz XVXXKZIMMWPQBR-AWEZNQCLSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419703875 271322494 /nfs/dbraw/zinc/32/24/94/271322494.db2.gz XBKUERUXVLIYGW-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419829402 271330882 /nfs/dbraw/zinc/33/08/82/271330882.db2.gz PSXPOJRUNDHAEJ-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CN)C[NH+]1CCCC1 ZINC000419830545 271331172 /nfs/dbraw/zinc/33/11/72/271331172.db2.gz QLKPKAAXASFVAP-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N1CCC[C@H](C)C1 ZINC000419941146 271347142 /nfs/dbraw/zinc/34/71/42/271347142.db2.gz WGBGDYFFFRUJGP-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419948463 271348423 /nfs/dbraw/zinc/34/84/23/271348423.db2.gz FTUFBBLFMMBDSF-ZDUSSCGKSA-N 1 3 300.447 0.276 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000419949811 271349068 /nfs/dbraw/zinc/34/90/68/271349068.db2.gz HRZSURXBVKMRIC-MCIONIFRSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000420014096 271351779 /nfs/dbraw/zinc/35/17/79/271351779.db2.gz NAXXHUNQQNBCLU-LLVKDONJSA-N 1 3 312.439 0.102 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000420011223 271351916 /nfs/dbraw/zinc/35/19/16/271351916.db2.gz GLLMGCCZBATNDP-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000420011223 271351918 /nfs/dbraw/zinc/35/19/18/271351918.db2.gz GLLMGCCZBATNDP-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1N(C)C ZINC000420171930 271361883 /nfs/dbraw/zinc/36/18/83/271361883.db2.gz UQFDGNAQHOZCHC-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C/C=C/C(=O)N(C)CCCN(C)C(=O)/C=C\C[NH+](C)C ZINC000492381176 272126756 /nfs/dbraw/zinc/12/67/56/272126756.db2.gz SFKOCIOZPDMDHA-BDLVGCLISA-N 1 3 324.469 0.529 20 0 DCADHO CN(C)C/C=C\C(=O)N(C)CCCN(C)C(=O)/C=C/C[NH+](C)C ZINC000492381176 272126758 /nfs/dbraw/zinc/12/67/58/272126758.db2.gz SFKOCIOZPDMDHA-BDLVGCLISA-N 1 3 324.469 0.529 20 0 DCADHO COC(=O)N1CCC([NH2+]CCCN2CCCN(C)CC2)CC1 ZINC000495393456 272247283 /nfs/dbraw/zinc/24/72/83/272247283.db2.gz PNXHBHYGBPVNSS-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO CC(C)CCn1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000530642103 287752348 /nfs/dbraw/zinc/75/23/48/287752348.db2.gz NNBKQMSZVXATMF-UHFFFAOYSA-N 1 3 324.473 0.890 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCNC(=O)c1ccco1 ZINC000530642109 287752411 /nfs/dbraw/zinc/75/24/11/287752411.db2.gz NWDHGZSCDNCAHA-UHFFFAOYSA-N 1 3 324.425 0.351 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)Cc1ccccc1 ZINC000337825686 276861045 /nfs/dbraw/zinc/86/10/45/276861045.db2.gz QLXANZNJAYBFDG-XHSDSOJGSA-N 1 3 305.422 0.782 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000370117270 279034824 /nfs/dbraw/zinc/03/48/24/279034824.db2.gz QNFNUCIEQICCIM-HRCADAONSA-N 1 3 324.469 0.833 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000370117270 279034826 /nfs/dbraw/zinc/03/48/26/279034826.db2.gz QNFNUCIEQICCIM-HRCADAONSA-N 1 3 324.469 0.833 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000339670418 279258715 /nfs/dbraw/zinc/25/87/15/279258715.db2.gz IYQUUVWZGHADSX-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348021097 279307106 /nfs/dbraw/zinc/30/71/06/279307106.db2.gz QOFSDGDYRZOWGV-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348021097 279307109 /nfs/dbraw/zinc/30/71/09/279307109.db2.gz QOFSDGDYRZOWGV-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000548704179 288168763 /nfs/dbraw/zinc/16/87/63/288168763.db2.gz GAMGUYVFKDUPEU-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000548704179 288168767 /nfs/dbraw/zinc/16/87/67/288168767.db2.gz GAMGUYVFKDUPEU-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277651735 279848935 /nfs/dbraw/zinc/84/89/35/279848935.db2.gz SPJADPHCIGYWBP-XHSDSOJGSA-N 1 3 303.406 0.663 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552028123 288261094 /nfs/dbraw/zinc/26/10/94/288261094.db2.gz JIIVDHWNCSSANF-WBVHZDCISA-N 1 3 309.454 0.824 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552028123 288261098 /nfs/dbraw/zinc/26/10/98/288261098.db2.gz JIIVDHWNCSSANF-WBVHZDCISA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000332567734 288300748 /nfs/dbraw/zinc/30/07/48/288300748.db2.gz VBKLFASVVQJOHM-XJFOESAGSA-N 1 3 308.426 0.068 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000553347238 288295906 /nfs/dbraw/zinc/29/59/06/288295906.db2.gz QTNFVRKUXBREPR-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCc1ccc([C@H](CNC(=O)COC2C[NH2+]C2)N(C)C)cc1 ZINC000430850641 288562294 /nfs/dbraw/zinc/56/22/94/288562294.db2.gz VVFWZRSWJVGBSH-INIZCTEOSA-N 1 3 305.422 0.956 20 0 DCADHO CCS(=O)(=O)NCCCN1CCC(OCCC[NH3+])CC1 ZINC000563155325 288641052 /nfs/dbraw/zinc/64/10/52/288641052.db2.gz QHHMUPFIYGQNMZ-UHFFFAOYSA-N 1 3 307.460 0.146 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000563161081 288642371 /nfs/dbraw/zinc/64/23/71/288642371.db2.gz ZNBGVDQSDYCTHG-HOCLYGCPSA-N 1 3 320.437 0.682 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000565254273 288839252 /nfs/dbraw/zinc/83/92/52/288839252.db2.gz MKBKWXPCOAFKGX-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000410464258 289290165 /nfs/dbraw/zinc/29/01/65/289290165.db2.gz CZFSQOYMCKNFDV-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423662945 289789477 /nfs/dbraw/zinc/78/94/77/289789477.db2.gz CKZCUXGXKWKMLD-BFHYXJOUSA-N 1 3 310.442 0.267 20 0 DCADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000333839658 290174120 /nfs/dbraw/zinc/17/41/20/290174120.db2.gz OBGWHAJFWCYBFR-RRFJBIMHSA-N 1 3 310.442 0.491 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000419891681 295311912 /nfs/dbraw/zinc/31/19/12/295311912.db2.gz IYVIAQRGRYPIDG-ILXRZTDVSA-N 1 3 322.453 0.459 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCN1C1CCOCC1 ZINC000584290829 332219869 /nfs/dbraw/zinc/21/98/69/332219869.db2.gz JEXJEOQLXJKZGS-GJZGRUSLSA-N 1 3 311.426 0.125 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@@H](C)NC)[C@@H]1CC12CC[NH2+]CC2 ZINC000583822264 337336703 /nfs/dbraw/zinc/33/67/03/337336703.db2.gz GVWWMPGHVMECMC-ZIAGYGMSSA-N 1 3 319.453 0.982 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000364853477 519683419 /nfs/dbraw/zinc/68/34/19/519683419.db2.gz YXRYDXKQDUMWQO-HOTGVXAUSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000267285533 524417750 /nfs/dbraw/zinc/41/77/50/524417750.db2.gz WHEUNUUETCCSIM-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO Cc1cccc(N2CC[NH+](CCCCNC(=O)CN)CC2)c1 ZINC000262219424 524554143 /nfs/dbraw/zinc/55/41/43/524554143.db2.gz ZORFVPVLLYSCGS-UHFFFAOYSA-N 1 3 304.438 0.972 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423707778 535048865 /nfs/dbraw/zinc/04/88/65/535048865.db2.gz FNJOWNLXXQGLMU-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO COCCN(C)CCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457825591 536788353 /nfs/dbraw/zinc/78/83/53/536788353.db2.gz YUPQUPIYLVVLSJ-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO COCCN(C)CCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000457825591 536788356 /nfs/dbraw/zinc/78/83/56/536788356.db2.gz YUPQUPIYLVVLSJ-HNNXBMFYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)C1CC[NH+](C)CC1 ZINC000090018411 545715887 /nfs/dbraw/zinc/71/58/87/545715887.db2.gz RKGLSUSBLATYSA-DOMZBBRYSA-N 1 3 305.426 0.845 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457997896 546264632 /nfs/dbraw/zinc/26/46/32/546264632.db2.gz CQGSZGZNSRANAR-CABCVRRESA-N 1 3 314.474 0.863 20 0 DCADHO O=C([C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1)N1CCCC1 ZINC000662255780 546373013 /nfs/dbraw/zinc/37/30/13/546373013.db2.gz RKYJOHJSMVYKTB-LSDHHAIUSA-N 1 3 307.438 0.842 20 0 DCADHO O=C([C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1)N1CCCC1 ZINC000662255780 546373017 /nfs/dbraw/zinc/37/30/17/546373017.db2.gz RKYJOHJSMVYKTB-LSDHHAIUSA-N 1 3 307.438 0.842 20 0 DCADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285288 546376281 /nfs/dbraw/zinc/37/62/81/546376281.db2.gz ITBWQERKRXWISC-MFKMUULPSA-N 1 3 321.343 0.508 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666663882 546494743 /nfs/dbraw/zinc/49/47/43/546494743.db2.gz UCCVUUWUSXXBKD-WMLDXEAASA-N 1 3 324.469 0.759 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666663882 546494746 /nfs/dbraw/zinc/49/47/46/546494746.db2.gz UCCVUUWUSXXBKD-WMLDXEAASA-N 1 3 324.469 0.759 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000666928093 546532744 /nfs/dbraw/zinc/53/27/44/546532744.db2.gz FAQFQZDUWOTXIN-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000666928093 546532748 /nfs/dbraw/zinc/53/27/48/546532748.db2.gz FAQFQZDUWOTXIN-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO C[N@H+]1CC=C(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666975153 546537071 /nfs/dbraw/zinc/53/70/71/546537071.db2.gz IXKNJPHVIIDIDH-MRXNPFEDSA-N 1 3 322.453 0.801 20 0 DCADHO C[N@@H+]1CC=C(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666975153 546537075 /nfs/dbraw/zinc/53/70/75/546537075.db2.gz IXKNJPHVIIDIDH-MRXNPFEDSA-N 1 3 322.453 0.801 20 0 DCADHO C[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N1CCC(C)CC1 ZINC000669418848 546969097 /nfs/dbraw/zinc/96/90/97/546969097.db2.gz UPOXIMINCMZERO-QLFBSQMISA-N 1 3 312.458 0.864 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@]2(N(C)C)CCSC2)CCO1 ZINC000669514952 546983621 /nfs/dbraw/zinc/98/36/21/546983621.db2.gz VHSGZPJOORQYSI-OUCADQQQSA-N 1 3 316.471 0.181 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519906 546983881 /nfs/dbraw/zinc/98/38/81/546983881.db2.gz WZOIYJFFRKEYJU-JYJNAYRXSA-N 1 3 309.454 0.993 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000669718839 547010135 /nfs/dbraw/zinc/01/01/35/547010135.db2.gz GHNXGOZZNICOKQ-XGUBFFRZSA-N 1 3 315.483 0.921 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@@H](N2CC[C@]3(C2)CCCOC3)C1=O ZINC000671191838 547175841 /nfs/dbraw/zinc/17/58/41/547175841.db2.gz JEHWMOSRWHJXOO-PBHICJAKSA-N 1 3 323.437 0.568 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000672594068 547383715 /nfs/dbraw/zinc/38/37/15/547383715.db2.gz LICNJTUTTDQIPT-RBSFLKMASA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CCC1 ZINC000672794869 547408980 /nfs/dbraw/zinc/40/89/80/547408980.db2.gz DMBOXWGJWGTCJU-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C(=O)c1ccc(CNCCC[N@@H+]2CCCN(C)CC2)[nH]1 ZINC000674488956 547599537 /nfs/dbraw/zinc/59/95/37/547599537.db2.gz URIUTKBVJQHQPE-UHFFFAOYSA-N 1 3 321.469 0.834 20 0 DCADHO CN(C)C(=O)c1ccc(CNCCC[N@H+]2CCCN(C)CC2)[nH]1 ZINC000674488956 547599540 /nfs/dbraw/zinc/59/95/40/547599540.db2.gz URIUTKBVJQHQPE-UHFFFAOYSA-N 1 3 321.469 0.834 20 0 DCADHO C[C@H](C[C@@H]1CCOC1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000675425675 547680013 /nfs/dbraw/zinc/68/00/13/547680013.db2.gz BUEKDIXXKFSOQB-CABCVRRESA-N 1 3 314.474 0.936 20 0 DCADHO C[NH+](C)CCOCCNCc1cccc(NS(C)(=O)=O)c1 ZINC000682616038 548411177 /nfs/dbraw/zinc/41/11/77/548411177.db2.gz PMTNLQJRYPUTSG-UHFFFAOYSA-N 1 3 315.439 0.726 20 0 DCADHO C[C@H](O)CN(C)C1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684201119 548581728 /nfs/dbraw/zinc/58/17/28/548581728.db2.gz VAUSBYQHZNNOSN-UONOGXRCSA-N 1 3 307.442 0.702 20 0 DCADHO COc1cnccc1N1CCN(C(=O)NCCC[NH+](C)C)CC1 ZINC000684356247 548597374 /nfs/dbraw/zinc/59/73/74/548597374.db2.gz VETRZZSUISAUIT-UHFFFAOYSA-N 1 3 321.425 0.874 20 0 DCADHO CO[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000684966281 548664948 /nfs/dbraw/zinc/66/49/48/548664948.db2.gz BQBSXJAXWPEYQR-CQSZACIVSA-N 1 3 311.430 0.059 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435520 1174795888 /nfs/dbraw/zinc/79/58/88/1174795888.db2.gz IUKYEIRBNLXKHO-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435520 1174795895 /nfs/dbraw/zinc/79/58/95/1174795895.db2.gz IUKYEIRBNLXKHO-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCC[NH2+]C[C@@H](O)CC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001670261979 1174997655 /nfs/dbraw/zinc/99/76/55/1174997655.db2.gz YSFFDJDWKFLPOW-NSHDSACASA-N 1 3 322.331 0.704 20 0 DCADHO CN(CCOCC[NH3+])C[C@H](O)COc1ccccc1Cl ZINC000923402343 667526471 /nfs/dbraw/zinc/52/64/71/667526471.db2.gz FFDUHPXHJKJZIW-LBPRGKRZSA-N 1 3 302.802 0.987 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CCF)C2)C1 ZINC001027546933 660411062 /nfs/dbraw/zinc/41/10/62/660411062.db2.gz OULOXAHRMDMNGI-HUUCEWRRSA-N 1 3 315.433 0.988 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCF)C2)C1 ZINC001027546933 660411063 /nfs/dbraw/zinc/41/10/63/660411063.db2.gz OULOXAHRMDMNGI-HUUCEWRRSA-N 1 3 315.433 0.988 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1)N1CCCCC1 ZINC000981091138 661076582 /nfs/dbraw/zinc/07/65/82/661076582.db2.gz KVUMDVIUFRFXSQ-UONOGXRCSA-N 1 3 324.469 0.753 20 0 DCADHO CO[C@H](C)CN1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176259 661094283 /nfs/dbraw/zinc/09/42/83/661094283.db2.gz RRVGJCGAIIFLMM-GDBMZVCRSA-N 1 3 309.454 0.897 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCN2CCO)cc1 ZINC001028203032 661275116 /nfs/dbraw/zinc/27/51/16/661275116.db2.gz NFQOZBXXQZEKHP-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO COCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982012142 661271988 /nfs/dbraw/zinc/27/19/88/661271988.db2.gz QIVSVYWTKMZRPR-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO COCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982012142 661271989 /nfs/dbraw/zinc/27/19/89/661271989.db2.gz QIVSVYWTKMZRPR-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998270588 665427672 /nfs/dbraw/zinc/42/76/72/665427672.db2.gz VOPYTEQJTNLKBN-MRXNPFEDSA-N 1 3 309.454 0.947 20 0 DCADHO Cn1ccc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998273407 665427825 /nfs/dbraw/zinc/42/78/25/665427825.db2.gz PMZFPCSPLOAYBE-HNNXBMFYSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998273407 665427826 /nfs/dbraw/zinc/42/78/26/665427826.db2.gz PMZFPCSPLOAYBE-HNNXBMFYSA-N 1 3 319.453 0.700 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998552005 665478002 /nfs/dbraw/zinc/47/80/02/665478002.db2.gz SAYBNMZNIGXREK-ZALBZXLWSA-N 1 3 305.426 0.593 20 0 DCADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CCN(C2CC2)C1 ZINC000891558823 657481580 /nfs/dbraw/zinc/48/15/80/657481580.db2.gz AOCYECUYWBEFCG-UKRRQHHQSA-N 1 3 322.453 0.681 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000891575159 657497137 /nfs/dbraw/zinc/49/71/37/657497137.db2.gz FDEACIILFRUCFV-KBPBESRZSA-N 1 3 312.458 0.785 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020406206 657526373 /nfs/dbraw/zinc/52/63/73/657526373.db2.gz MXYOHQOPRUFUCW-BFKWJSRZSA-N 1 3 319.449 0.887 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001023130602 657541937 /nfs/dbraw/zinc/54/19/37/657541937.db2.gz WGFIHAJWTQQZCU-ZNMIVQPWSA-N 1 3 322.453 0.330 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000970479272 657556591 /nfs/dbraw/zinc/55/65/91/657556591.db2.gz SHBMHXYJBNGCPG-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000970479272 657556595 /nfs/dbraw/zinc/55/65/95/657556595.db2.gz SHBMHXYJBNGCPG-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891636119 657564356 /nfs/dbraw/zinc/56/43/56/657564356.db2.gz VXEOTOWCIIEEDE-GJZGRUSLSA-N 1 3 310.442 0.632 20 0 DCADHO CN1CCN(CCNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1(C)C ZINC000891880987 657869230 /nfs/dbraw/zinc/86/92/30/657869230.db2.gz RHHPGFUQGKZMTA-HUUCEWRRSA-N 1 3 323.485 0.548 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)NC[C@H]1Cc2ccccc2CN1 ZINC000891980718 658047236 /nfs/dbraw/zinc/04/72/36/658047236.db2.gz XVZZCOHAVQMVML-XJKSGUPXSA-N 1 3 302.422 1.000 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000969800198 658155226 /nfs/dbraw/zinc/15/52/26/658155226.db2.gz MZVMDERCFMOPJS-OAHLLOKOSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001020586596 658162533 /nfs/dbraw/zinc/16/25/33/658162533.db2.gz SIVJKIMBIMZJQF-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001020590191 658168822 /nfs/dbraw/zinc/16/88/22/658168822.db2.gz ONOKOCZKYCWCMI-KKUMJFAQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH]cn1 ZINC001039301601 658210746 /nfs/dbraw/zinc/21/07/46/658210746.db2.gz MJAMBGXOCJKZSK-YPRXJGMQSA-N 1 3 306.410 0.835 20 0 DCADHO COCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679865 658212931 /nfs/dbraw/zinc/21/29/31/658212931.db2.gz SZUADSNFYJDWHO-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO COCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679865 658212933 /nfs/dbraw/zinc/21/29/33/658212933.db2.gz SZUADSNFYJDWHO-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646570 658220190 /nfs/dbraw/zinc/22/01/90/658220190.db2.gz OJPXQOPSEBWZSC-OKILXGFUSA-N 1 3 320.441 0.377 20 0 DCADHO O=C(CCN1CCN(c2ccccc2)CC1)NCC1C[NH2+]C1 ZINC000262046237 658234330 /nfs/dbraw/zinc/23/43/30/658234330.db2.gz UHTXLMHTJDCXNU-UHFFFAOYSA-N 1 3 302.422 0.534 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000969964737 658297655 /nfs/dbraw/zinc/29/76/55/658297655.db2.gz IMTZJXPEZRLKKN-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000969964737 658297658 /nfs/dbraw/zinc/29/76/58/658297658.db2.gz IMTZJXPEZRLKKN-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001023890490 658298725 /nfs/dbraw/zinc/29/87/25/658298725.db2.gz ATJMYRHFCFXBND-TZMCWYRMSA-N 1 3 323.466 0.961 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC000969992061 658331287 /nfs/dbraw/zinc/33/12/87/658331287.db2.gz SUBPOBLVJPHBLI-CABCVRRESA-N 1 3 307.442 0.759 20 0 DCADHO Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022716670 658372777 /nfs/dbraw/zinc/37/27/77/658372777.db2.gz DWVKXSWEFXZRMY-OKILXGFUSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@H]1C[NH3+] ZINC000926388874 658392729 /nfs/dbraw/zinc/39/27/29/658392729.db2.gz BFVDCNXUMCOPJE-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231393 658465896 /nfs/dbraw/zinc/46/58/96/658465896.db2.gz FDAAVHGJMOUUPY-INIZCTEOSA-N 1 3 319.453 0.758 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001024180319 658510723 /nfs/dbraw/zinc/51/07/23/658510723.db2.gz VKPOXNFNHYBYCR-OCCSQVGLSA-N 1 3 319.409 0.059 20 0 DCADHO Cn1ccc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001024263228 658547395 /nfs/dbraw/zinc/54/73/95/658547395.db2.gz BGBQCDFBVGYLCE-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001024263228 658547400 /nfs/dbraw/zinc/54/74/00/658547400.db2.gz BGBQCDFBVGYLCE-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001024264809 658548624 /nfs/dbraw/zinc/54/86/24/658548624.db2.gz WNYSTDRGBJXLEW-KBPBESRZSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001024264809 658548627 /nfs/dbraw/zinc/54/86/27/658548627.db2.gz WNYSTDRGBJXLEW-KBPBESRZSA-N 1 3 320.441 0.393 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000972333162 658578673 /nfs/dbraw/zinc/57/86/73/658578673.db2.gz UFDUUVNFMLIBDU-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000972333162 658578674 /nfs/dbraw/zinc/57/86/74/658578674.db2.gz UFDUUVNFMLIBDU-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000891403783 658704838 /nfs/dbraw/zinc/70/48/38/658704838.db2.gz ZSVCGRWUCXUVQX-DCAQKATOSA-N 1 3 308.348 0.859 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cn3)C2)C1 ZINC001021048238 658726846 /nfs/dbraw/zinc/72/68/46/658726846.db2.gz WDMYYUJKBRXLPQ-CQDKDKBSSA-N 1 3 306.385 0.909 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cn3)C2)C1 ZINC001021048238 658726849 /nfs/dbraw/zinc/72/68/49/658726849.db2.gz WDMYYUJKBRXLPQ-CQDKDKBSSA-N 1 3 306.385 0.909 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891439163 658756564 /nfs/dbraw/zinc/75/65/64/658756564.db2.gz DDWUKVNVXAWQJZ-HDJSIYSDSA-N 1 3 312.458 0.914 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)cn1 ZINC001032675745 665607630 /nfs/dbraw/zinc/60/76/30/665607630.db2.gz KSHWGGCDKTZWPT-HOTGVXAUSA-N 1 3 317.437 0.753 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954835768 658800073 /nfs/dbraw/zinc/80/00/73/658800073.db2.gz WJNRRVVXFNNHCN-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954835768 658800086 /nfs/dbraw/zinc/80/00/86/658800086.db2.gz WJNRRVVXFNNHCN-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001024901643 658824259 /nfs/dbraw/zinc/82/42/59/658824259.db2.gz ZJXUWKMMHJEHMT-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001024985405 658846409 /nfs/dbraw/zinc/84/64/09/658846409.db2.gz PZUGBODFFULDOD-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001039161993 658855610 /nfs/dbraw/zinc/85/56/10/658855610.db2.gz QHMOAGZXZDTVKA-OAHLLOKOSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001039161993 658855615 /nfs/dbraw/zinc/85/56/15/658855615.db2.gz QHMOAGZXZDTVKA-OAHLLOKOSA-N 1 3 320.437 0.895 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C2CN(CCCO)C2)C1 ZINC000970319266 658860039 /nfs/dbraw/zinc/86/00/39/658860039.db2.gz SLXGSHHSARFAEZ-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C2CN(CCCO)C2)C1 ZINC000970319266 658860048 /nfs/dbraw/zinc/86/00/48/658860048.db2.gz SLXGSHHSARFAEZ-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001022981670 658889633 /nfs/dbraw/zinc/88/96/33/658889633.db2.gz YXEBQOKYPVUUTE-GASCZTMLSA-N 1 3 315.421 0.618 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000891492195 658890204 /nfs/dbraw/zinc/89/02/04/658890204.db2.gz GKMLDAKZZXOWFP-INIZCTEOSA-N 1 3 314.474 0.971 20 0 DCADHO C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891523164 658906008 /nfs/dbraw/zinc/90/60/08/658906008.db2.gz AWUQVIQLBOBDLF-GJZGRUSLSA-N 1 3 310.442 0.321 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCn3cncn3)C2)CCC1 ZINC000999354479 665630716 /nfs/dbraw/zinc/63/07/16/665630716.db2.gz QFHIOLZZTZCTNH-AWEZNQCLSA-N 1 3 320.441 0.343 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001027217308 659089423 /nfs/dbraw/zinc/08/94/23/659089423.db2.gz IDJWXXVTGJGBSX-AWEZNQCLSA-N 1 3 305.426 0.454 20 0 DCADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)nn1C ZINC001027218166 659091167 /nfs/dbraw/zinc/09/11/67/659091167.db2.gz YXXGVODTWKETOL-OAHLLOKOSA-N 1 3 319.453 0.762 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC001007497986 659139840 /nfs/dbraw/zinc/13/98/40/659139840.db2.gz XNNNQHFHDBDELM-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC001007497986 659139844 /nfs/dbraw/zinc/13/98/44/659139844.db2.gz XNNNQHFHDBDELM-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC000999481104 665650071 /nfs/dbraw/zinc/65/00/71/665650071.db2.gz ARMMNOOQYDYXSJ-LSDHHAIUSA-N 1 3 307.442 0.804 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC000999491442 665652854 /nfs/dbraw/zinc/65/28/54/665652854.db2.gz UVFQDZONUIDFCC-JKSUJKDBSA-N 1 3 321.469 0.883 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC001026386941 659272206 /nfs/dbraw/zinc/27/22/06/659272206.db2.gz VAOAJQPFGOIGFO-XHSDSOJGSA-N 1 3 309.454 0.537 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000925620741 659364437 /nfs/dbraw/zinc/36/44/37/659364437.db2.gz AGCWLGLVEFSKJO-HABKJSAYSA-N 1 3 301.456 0.198 20 0 DCADHO CC[NH2+]C1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001026530883 659382195 /nfs/dbraw/zinc/38/21/95/659382195.db2.gz HWWGRPSREATYGN-RDVIWEACSA-N 1 3 307.438 0.887 20 0 DCADHO OCc1cn(CCC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)nn1 ZINC000925669755 659423398 /nfs/dbraw/zinc/42/33/98/659423398.db2.gz XGKIXBQWTJQUIX-HZPDHXFCSA-N 1 3 307.442 0.918 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000111236374 659451112 /nfs/dbraw/zinc/45/11/12/659451112.db2.gz BNPGQSLFWRTFOP-CQSZACIVSA-N 1 3 301.456 0.486 20 0 DCADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000892817153 659467063 /nfs/dbraw/zinc/46/70/63/659467063.db2.gz AHRFMKOUQKWWNL-ANQUJSFKSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@]2(C)C1 ZINC000892817153 659467065 /nfs/dbraw/zinc/46/70/65/659467065.db2.gz AHRFMKOUQKWWNL-ANQUJSFKSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)[C@@H]2C1 ZINC000892819982 659469918 /nfs/dbraw/zinc/46/99/18/659469918.db2.gz UMNDXOHWZWRIFU-GBJTYRQASA-N 1 3 308.426 0.195 20 0 DCADHO C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)[C@@H]2C1 ZINC000892819982 659469921 /nfs/dbraw/zinc/46/99/21/659469921.db2.gz UMNDXOHWZWRIFU-GBJTYRQASA-N 1 3 308.426 0.195 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936330803 659502287 /nfs/dbraw/zinc/50/22/87/659502287.db2.gz BWLBTBWUBVJGBE-QWHCGFSZSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936330803 659502291 /nfs/dbraw/zinc/50/22/91/659502291.db2.gz BWLBTBWUBVJGBE-QWHCGFSZSA-N 1 3 319.409 0.011 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000892945227 659541226 /nfs/dbraw/zinc/54/12/26/659541226.db2.gz ZFIVIOURVAICGP-PMPSAXMXSA-N 1 3 324.469 0.975 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000892945227 659541228 /nfs/dbraw/zinc/54/12/28/659541228.db2.gz ZFIVIOURVAICGP-PMPSAXMXSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798817 659565855 /nfs/dbraw/zinc/56/58/55/659565855.db2.gz JATRJVPTFQWZAY-ZOFXXKQRSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798817 659565860 /nfs/dbraw/zinc/56/58/60/659565860.db2.gz JATRJVPTFQWZAY-ZOFXXKQRSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000974650941 659609053 /nfs/dbraw/zinc/60/90/53/659609053.db2.gz KWJSTPKBWNOMDN-GJZGRUSLSA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)C1 ZINC000974650941 659609055 /nfs/dbraw/zinc/60/90/55/659609055.db2.gz KWJSTPKBWNOMDN-GJZGRUSLSA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001019774836 659612843 /nfs/dbraw/zinc/61/28/43/659612843.db2.gz KIJCMIJTQYCBHV-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001026891537 659626367 /nfs/dbraw/zinc/62/63/67/659626367.db2.gz XOWBGCWFOIQKOO-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001026901377 659630183 /nfs/dbraw/zinc/63/01/83/659630183.db2.gz NYRBIWJCETUPCU-ZFWWWQNUSA-N 1 3 322.457 0.339 20 0 DCADHO CO[C@H](C)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977473244 659729014 /nfs/dbraw/zinc/72/90/14/659729014.db2.gz IRKDDRVJVQSGQO-ZIAGYGMSSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C)OC ZINC001026043430 659759409 /nfs/dbraw/zinc/75/94/09/659759409.db2.gz SMUGWMLEHHNWIG-NMNMXBMNSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C)OC ZINC001026043430 659759413 /nfs/dbraw/zinc/75/94/13/659759413.db2.gz SMUGWMLEHHNWIG-NMNMXBMNSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC001000187952 665767982 /nfs/dbraw/zinc/76/79/82/665767982.db2.gz YSFFMEWRYBQYMF-LSDHHAIUSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001000188708 665767994 /nfs/dbraw/zinc/76/79/94/665767994.db2.gz BTDNSZHGTDNIJS-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001000215916 665785841 /nfs/dbraw/zinc/78/58/41/665785841.db2.gz BUDNBCAWHHGVCY-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001000217626 665785157 /nfs/dbraw/zinc/78/51/57/665785157.db2.gz IGWVTBIMOBPCSU-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000261971400 661937635 /nfs/dbraw/zinc/93/76/35/661937635.db2.gz DHPSGCKHSYAHRO-CYBMUJFWSA-N 1 3 324.469 0.420 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001000312794 665820915 /nfs/dbraw/zinc/82/09/15/665820915.db2.gz QKQULLQSMQXSFU-CYBMUJFWSA-N 1 3 302.382 0.430 20 0 DCADHO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000983715566 662011891 /nfs/dbraw/zinc/01/18/91/662011891.db2.gz IRWJTSFZYOHGCF-FPCVCCKLSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000390034 665834069 /nfs/dbraw/zinc/83/40/69/665834069.db2.gz PNXWGKKDIDSCMA-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[C@@H](C1)N2CCO ZINC001029380231 662126673 /nfs/dbraw/zinc/12/66/73/662126673.db2.gz PJYCCJHQBIVIOH-OKILXGFUSA-N 1 3 300.362 0.615 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CC(CCO)C1 ZINC000895665363 662204574 /nfs/dbraw/zinc/20/45/74/662204574.db2.gz BZZHEEQGVFLVRK-NFOMZHRRSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CC(CCO)C1 ZINC000895665363 662204575 /nfs/dbraw/zinc/20/45/75/662204575.db2.gz BZZHEEQGVFLVRK-NFOMZHRRSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000895849943 662222521 /nfs/dbraw/zinc/22/25/21/662222521.db2.gz BWAJJPYNMWAWJI-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000895849943 662222522 /nfs/dbraw/zinc/22/25/22/662222522.db2.gz BWAJJPYNMWAWJI-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000896043113 662238246 /nfs/dbraw/zinc/23/82/46/662238246.db2.gz MFUYBZZURCNLSZ-KKUMJFAQSA-N 1 3 310.442 0.321 20 0 DCADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000896043113 662238247 /nfs/dbraw/zinc/23/82/47/662238247.db2.gz MFUYBZZURCNLSZ-KKUMJFAQSA-N 1 3 310.442 0.321 20 0 DCADHO CCO[C@H](CNC(=O)N(C)[C@@H]1CCCN(C)C1)C[NH+](C)C ZINC000896681578 662304059 /nfs/dbraw/zinc/30/40/59/662304059.db2.gz FJSBBEDQQKCDHG-ZIAGYGMSSA-N 1 3 300.447 0.689 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@H]2C1 ZINC000896749086 662310366 /nfs/dbraw/zinc/31/03/66/662310366.db2.gz OGRXEKUEKAACBH-LZWOXQAQSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C[C@H]2C1 ZINC000896749086 662310368 /nfs/dbraw/zinc/31/03/68/662310368.db2.gz OGRXEKUEKAACBH-LZWOXQAQSA-N 1 3 322.453 0.443 20 0 DCADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000985120955 662370240 /nfs/dbraw/zinc/37/02/40/662370240.db2.gz AGZBOIYJYFPXIR-IHRRRGAJSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1ncoc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000985120955 662370241 /nfs/dbraw/zinc/37/02/41/662370241.db2.gz AGZBOIYJYFPXIR-IHRRRGAJSA-N 1 3 306.410 0.919 20 0 DCADHO Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000985328389 662411171 /nfs/dbraw/zinc/41/11/71/662411171.db2.gz SSJDMUKCPMBKAL-MRXNPFEDSA-N 1 3 319.453 0.937 20 0 DCADHO Cn1cc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000985328389 662411172 /nfs/dbraw/zinc/41/11/72/662411172.db2.gz SSJDMUKCPMBKAL-MRXNPFEDSA-N 1 3 319.453 0.937 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029597565 662423897 /nfs/dbraw/zinc/42/38/97/662423897.db2.gz YCCIQRLBDDOFFV-IYBDPMFKSA-N 1 3 309.454 0.920 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000320735751 662499686 /nfs/dbraw/zinc/49/96/86/662499686.db2.gz OJQRLXWOAGJHEM-ZIAGYGMSSA-N 1 3 319.405 0.613 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN(C)C1CCC1 ZINC000986353010 662585480 /nfs/dbraw/zinc/58/54/80/662585480.db2.gz HWJXUEYFLKMXDY-CJNGLKHVSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000897472201 662769154 /nfs/dbraw/zinc/76/91/54/662769154.db2.gz QFTASMFSOUPICF-PMPSAXMXSA-N 1 3 324.469 0.569 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC000897472201 662769156 /nfs/dbraw/zinc/76/91/56/662769156.db2.gz QFTASMFSOUPICF-PMPSAXMXSA-N 1 3 324.469 0.569 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001000691435 665911037 /nfs/dbraw/zinc/91/10/37/665911037.db2.gz YTOXKTXINXPXRQ-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000691435 665911039 /nfs/dbraw/zinc/91/10/39/665911039.db2.gz YTOXKTXINXPXRQ-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729608693 662905278 /nfs/dbraw/zinc/90/52/78/662905278.db2.gz QSVWEXISNQNLOI-HOTGVXAUSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681521 662971864 /nfs/dbraw/zinc/97/18/64/662971864.db2.gz CWFIYXIIDVSJAE-ZIAGYGMSSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CN1C(=O)CN1CCCC1 ZINC000989796553 662980136 /nfs/dbraw/zinc/98/01/36/662980136.db2.gz NPBYPRDJOWQBEK-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000040861701 663050865 /nfs/dbraw/zinc/05/08/65/663050865.db2.gz BQFWOCPVXUFNAN-UHFFFAOYSA-N 1 3 318.487 0.189 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000040861701 663050866 /nfs/dbraw/zinc/05/08/66/663050866.db2.gz BQFWOCPVXUFNAN-UHFFFAOYSA-N 1 3 318.487 0.189 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900206959 663225704 /nfs/dbraw/zinc/22/57/04/663225704.db2.gz GLKJRWCHHRJWCX-UHFFFAOYSA-N 1 3 323.437 0.474 20 0 DCADHO COC1CCN(CCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900980163 663298914 /nfs/dbraw/zinc/29/89/14/663298914.db2.gz IEOITRZLQCDUFF-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO COC1CCN(CCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900980163 663298916 /nfs/dbraw/zinc/29/89/16/663298916.db2.gz IEOITRZLQCDUFF-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000916152 665959947 /nfs/dbraw/zinc/95/99/47/665959947.db2.gz FUBFQDJQHGKBQL-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000916152 665959948 /nfs/dbraw/zinc/95/99/48/665959948.db2.gz FUBFQDJQHGKBQL-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000921129 665962468 /nfs/dbraw/zinc/96/24/68/665962468.db2.gz XBJVAZRHOHRECC-HOCLYGCPSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000921129 665962470 /nfs/dbraw/zinc/96/24/70/665962470.db2.gz XBJVAZRHOHRECC-HOCLYGCPSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1cc(N2CC[C@H](N3C[C@@H](C)[C@H](CC[NH3+])C3)C2=O)n(C)n1 ZINC000903500084 663457306 /nfs/dbraw/zinc/45/73/06/663457306.db2.gz SDEVBXJBFXUILC-BNOWGMLFSA-N 1 3 305.426 0.751 20 0 DCADHO O[C@@H]1CCC[C@@H]1N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903738181 663478296 /nfs/dbraw/zinc/47/82/96/663478296.db2.gz YZFDWDAGEFDCJT-NXOAAHMSSA-N 1 3 309.454 0.286 20 0 DCADHO C([C@@H]1CCOC1)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903740298 663478761 /nfs/dbraw/zinc/47/87/61/663478761.db2.gz FZXXOHOKOXGZSH-IRXDYDNUSA-N 1 3 323.481 0.799 20 0 DCADHO Cn1nnnc1C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903779760 663484091 /nfs/dbraw/zinc/48/40/91/663484091.db2.gz ABVWXOPUFYBRBG-AWEZNQCLSA-N 1 3 320.441 0.548 20 0 DCADHO CC[C@@H](CO)N1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903897681 663493545 /nfs/dbraw/zinc/49/35/45/663493545.db2.gz IIMAUDUKVCXSNJ-RDJZCZTQSA-N 1 3 323.485 0.234 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCN(C[C@@H](C)O)C[C@@H]2C)cnn1C ZINC000903927358 663496044 /nfs/dbraw/zinc/49/60/44/663496044.db2.gz RFKGAZGMAOXDGL-SQWLQELKSA-N 1 3 323.485 0.233 20 0 DCADHO OCC1(NCc2cnnn2[C@@H]2CCC[NH2+]C2)CCSCC1 ZINC000903929608 663496368 /nfs/dbraw/zinc/49/63/68/663496368.db2.gz HQYKIRKSHJJPHY-GFCCVEGCSA-N 1 3 311.455 0.550 20 0 DCADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000904317124 663508208 /nfs/dbraw/zinc/50/82/08/663508208.db2.gz XEACMPSNBFJOCR-GASCZTMLSA-N 1 3 308.470 0.790 20 0 DCADHO COCCn1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000904392317 663511452 /nfs/dbraw/zinc/51/14/52/663511452.db2.gz PKSYEKNICRKYOT-HNNXBMFYSA-N 1 3 308.426 0.859 20 0 DCADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905055190 663526242 /nfs/dbraw/zinc/52/62/42/663526242.db2.gz MWYXSDRULRVMMU-ZBFHGGJFSA-N 1 3 300.443 0.741 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000905070221 663530581 /nfs/dbraw/zinc/53/05/81/663530581.db2.gz IFBGGSOZDBHGML-BZUAXINKSA-N 1 3 300.443 0.599 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000905070221 663530584 /nfs/dbraw/zinc/53/05/84/663530584.db2.gz IFBGGSOZDBHGML-BZUAXINKSA-N 1 3 300.443 0.599 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905153467 663533905 /nfs/dbraw/zinc/53/39/05/663533905.db2.gz FKZWJHXZDWLLNA-SJORKVTESA-N 1 3 312.454 0.885 20 0 DCADHO O[C@@H]1C[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000905469169 663559669 /nfs/dbraw/zinc/55/96/69/663559669.db2.gz YTBZTLDBOXJLLG-YVSFHVDLSA-N 1 3 306.406 0.097 20 0 DCADHO O[C@@H]1C[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000905469169 663559670 /nfs/dbraw/zinc/55/96/70/663559670.db2.gz YTBZTLDBOXJLLG-YVSFHVDLSA-N 1 3 306.406 0.097 20 0 DCADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CCCC1 ZINC000906646847 663626931 /nfs/dbraw/zinc/62/69/31/663626931.db2.gz YBCXTMYOEDFOOL-LBPRGKRZSA-N 1 3 304.394 0.684 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCCCC1 ZINC000910956112 663958302 /nfs/dbraw/zinc/95/83/02/663958302.db2.gz GHABCECMLIFCAS-HZSPNIEDSA-N 1 3 322.453 0.376 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911053617 663972559 /nfs/dbraw/zinc/97/25/59/663972559.db2.gz AKOMCDMEWQEKIH-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000911160974 663995332 /nfs/dbraw/zinc/99/53/32/663995332.db2.gz IAQQTXROFGMRSU-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000911161793 663995609 /nfs/dbraw/zinc/99/56/09/663995609.db2.gz MOWMVFOBPBWNDO-RHSMWYFYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000911162914 663996044 /nfs/dbraw/zinc/99/60/44/663996044.db2.gz TYSWWHKVFBOSNV-CKEIUWERSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000911162917 663996056 /nfs/dbraw/zinc/99/60/56/663996056.db2.gz TYSWWHKVFBOSNV-KEYYUXOJSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911163348 663996481 /nfs/dbraw/zinc/99/64/81/663996481.db2.gz WONDCXVWHZZOHP-SOUVJXGZSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[C@@H]1C[NH3+] ZINC000911224005 664011015 /nfs/dbraw/zinc/01/10/15/664011015.db2.gz UGRYJSDREAADER-BPLDGKMQSA-N 1 3 322.453 0.030 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000911324712 664028239 /nfs/dbraw/zinc/02/82/39/664028239.db2.gz JWRXDQJCUYWRLS-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C[NH2+]1 ZINC000911345707 664039862 /nfs/dbraw/zinc/03/98/62/664039862.db2.gz BVOJUBZWQLDMGU-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911379843 664041474 /nfs/dbraw/zinc/04/14/74/664041474.db2.gz NWZWQJHYPWFUPW-ILXRZTDVSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911401117 664048435 /nfs/dbraw/zinc/04/84/35/664048435.db2.gz OPNLDEHHXXQZBZ-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911495566 664065396 /nfs/dbraw/zinc/06/53/96/664065396.db2.gz YJLJTRIZSLFVST-HZSPNIEDSA-N 1 3 310.442 0.171 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000911532088 664070189 /nfs/dbraw/zinc/07/01/89/664070189.db2.gz KJTACPKZLUVQBT-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911521201 664074350 /nfs/dbraw/zinc/07/43/50/664074350.db2.gz UAYCYSNVQJSVSB-CHWSQXEVSA-N 1 3 310.442 0.042 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911547942 664076345 /nfs/dbraw/zinc/07/63/45/664076345.db2.gz ZUMNUBMNNQEAJJ-CBBWQLFWSA-N 1 3 320.437 0.082 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911558378 664078650 /nfs/dbraw/zinc/07/86/50/664078650.db2.gz SAXUNDIISKXRDV-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CN(CCO)CCN(C)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000912605176 664192286 /nfs/dbraw/zinc/19/22/86/664192286.db2.gz HIZNZPPAIBPOHF-UHFFFAOYSA-N 1 3 319.449 0.817 20 0 DCADHO CN(CCO)CCN(C)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000912605176 664192288 /nfs/dbraw/zinc/19/22/88/664192288.db2.gz HIZNZPPAIBPOHF-UHFFFAOYSA-N 1 3 319.449 0.817 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000913426836 664312521 /nfs/dbraw/zinc/31/25/21/664312521.db2.gz DMWVFBWECOOVIT-RRFJBIMHSA-N 1 3 309.454 0.965 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000913426836 664312522 /nfs/dbraw/zinc/31/25/22/664312522.db2.gz DMWVFBWECOOVIT-RRFJBIMHSA-N 1 3 309.454 0.965 20 0 DCADHO CN1CCN(c2cccc(C(=O)NC34CC[NH+](CC3)C4)n2)CC1 ZINC000913631745 664707577 /nfs/dbraw/zinc/70/75/77/664707577.db2.gz AQNRFZBJVYMXLJ-UHFFFAOYSA-N 1 3 315.421 0.411 20 0 DCADHO CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015324146 664767489 /nfs/dbraw/zinc/76/74/89/664767489.db2.gz MMWUGDXYFCWDTD-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015324146 664767490 /nfs/dbraw/zinc/76/74/90/664767490.db2.gz MMWUGDXYFCWDTD-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000731121252 664838102 /nfs/dbraw/zinc/83/81/02/664838102.db2.gz STEQCFROUYHESQ-QLFBSQMISA-N 1 3 310.442 0.491 20 0 DCADHO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000731121252 664838107 /nfs/dbraw/zinc/83/81/07/664838107.db2.gz STEQCFROUYHESQ-QLFBSQMISA-N 1 3 310.442 0.491 20 0 DCADHO CN1CC[C@H]1CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000915493138 664926105 /nfs/dbraw/zinc/92/61/05/664926105.db2.gz QMGCYDNKQMHYIR-INIZCTEOSA-N 1 3 323.485 0.548 20 0 DCADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000917570292 665137194 /nfs/dbraw/zinc/13/71/94/665137194.db2.gz GVDLINNYVZXFHA-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000917570292 665137195 /nfs/dbraw/zinc/13/71/95/665137195.db2.gz GVDLINNYVZXFHA-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000938317243 665334518 /nfs/dbraw/zinc/33/45/18/665334518.db2.gz PFTCVPUQZAFSNJ-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938317243 665334520 /nfs/dbraw/zinc/33/45/20/665334520.db2.gz PFTCVPUQZAFSNJ-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938318251 665334784 /nfs/dbraw/zinc/33/47/84/665334784.db2.gz BWLBTBWUBVJGBE-OLZOCXBDSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000938318251 665334787 /nfs/dbraw/zinc/33/47/87/665334787.db2.gz BWLBTBWUBVJGBE-OLZOCXBDSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941665135 666040778 /nfs/dbraw/zinc/04/07/78/666040778.db2.gz CHUWMEUTYWBGDR-INIZCTEOSA-N 1 3 320.481 0.567 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)C1 ZINC000941665135 666040780 /nfs/dbraw/zinc/04/07/80/666040780.db2.gz CHUWMEUTYWBGDR-INIZCTEOSA-N 1 3 320.481 0.567 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002125401 666135143 /nfs/dbraw/zinc/13/51/43/666135143.db2.gz JXVTZBNFEIFCEC-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002125401 666135144 /nfs/dbraw/zinc/13/51/44/666135144.db2.gz JXVTZBNFEIFCEC-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CN1CCN(c2ncc(CNCC(C)(C)[NH+](C)C)cn2)CC1 ZINC000129587896 1157650893 /nfs/dbraw/zinc/65/08/93/1157650893.db2.gz OMLFXZREYGQGRK-UHFFFAOYSA-N 1 3 306.458 0.658 20 0 DCADHO CN(C)C(C)(C)C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000129587896 1157650895 /nfs/dbraw/zinc/65/08/95/1157650895.db2.gz OMLFXZREYGQGRK-UHFFFAOYSA-N 1 3 306.458 0.658 20 0 DCADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033279184 666659445 /nfs/dbraw/zinc/65/94/45/666659445.db2.gz UFIDTJWWVIJWLT-BNQMIIOLSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033279184 666659448 /nfs/dbraw/zinc/65/94/48/666659448.db2.gz UFIDTJWWVIJWLT-BNQMIIOLSA-N 1 3 319.449 0.792 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC000996129314 666742847 /nfs/dbraw/zinc/74/28/47/666742847.db2.gz VZPQFZDEAGJVJE-QWHCGFSZSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000996445008 666788065 /nfs/dbraw/zinc/78/80/65/666788065.db2.gz ZLOOQPNVSOHGAC-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000996445008 666788066 /nfs/dbraw/zinc/78/80/66/666788066.db2.gz ZLOOQPNVSOHGAC-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1)C1CC1 ZINC000996678518 666857825 /nfs/dbraw/zinc/85/78/25/666857825.db2.gz OBDYPVJQAYQPGW-CABCVRRESA-N 1 3 322.453 0.186 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996680918 666859108 /nfs/dbraw/zinc/85/91/08/666859108.db2.gz WNANELPTYCRRDY-INIZCTEOSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000996710363 666867137 /nfs/dbraw/zinc/86/71/37/666867137.db2.gz CLJBEECGZNWKRR-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1)N(C)C ZINC000996713598 666871257 /nfs/dbraw/zinc/87/12/57/666871257.db2.gz WOXCYOPPLXNIJQ-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000996822291 666932573 /nfs/dbraw/zinc/93/25/73/666932573.db2.gz LTEPGQLOFDVJGO-HQVVEAJESA-N 1 3 319.449 0.840 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CCF)CC1 ZINC000996824086 666934861 /nfs/dbraw/zinc/93/48/61/666934861.db2.gz YXSZSOVIDSZFIC-CXOJTPOUSA-N 1 3 311.401 0.400 20 0 DCADHO O=C(N[C@H]1CCCCN(CCCO)C1)C12CCC[NH+]1CCC2 ZINC001034291118 666978845 /nfs/dbraw/zinc/97/88/45/666978845.db2.gz PXVMOUGARMQFJX-HNNXBMFYSA-N 1 3 309.454 0.968 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC000996996229 667067628 /nfs/dbraw/zinc/06/76/28/667067628.db2.gz WQHQQMWKVVPXLU-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000997003595 667072103 /nfs/dbraw/zinc/07/21/03/667072103.db2.gz CKRCESPICQQYEK-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000997014773 667076128 /nfs/dbraw/zinc/07/61/28/667076128.db2.gz JXYOPHPNJGLYBU-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1)N(C)C ZINC000997016677 667077550 /nfs/dbraw/zinc/07/75/50/667077550.db2.gz WOXCYOPPLXNIJQ-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO Cn1nccc1C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997041721 667085822 /nfs/dbraw/zinc/08/58/22/667085822.db2.gz MQYJKIIMEUMLMI-UHFFFAOYSA-N 1 3 302.382 0.467 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccnn2C)CC[N@@H+]1C ZINC001034939559 667199535 /nfs/dbraw/zinc/19/95/35/667199535.db2.gz GHECTNZRJZEXKI-FVQBIDKESA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccnn2C)CC[N@H+]1C ZINC001034939559 667199536 /nfs/dbraw/zinc/19/95/36/667199536.db2.gz GHECTNZRJZEXKI-FVQBIDKESA-N 1 3 319.453 0.841 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC001034973942 667201956 /nfs/dbraw/zinc/20/19/56/667201956.db2.gz VPCRQVNYBJAOKA-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)cn1 ZINC001035037230 667222972 /nfs/dbraw/zinc/22/29/72/667222972.db2.gz VWHBUMGUWNKRDG-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001035052471 667230286 /nfs/dbraw/zinc/23/02/86/667230286.db2.gz YDMLGOQNNFBWQV-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001035052471 667230287 /nfs/dbraw/zinc/23/02/87/667230287.db2.gz YDMLGOQNNFBWQV-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001035052471 667230288 /nfs/dbraw/zinc/23/02/88/667230288.db2.gz YDMLGOQNNFBWQV-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997297396 667239426 /nfs/dbraw/zinc/23/94/26/667239426.db2.gz FRRNCDOYZDEYCH-CQSZACIVSA-N 1 3 319.453 0.935 20 0 DCADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997297396 667239429 /nfs/dbraw/zinc/23/94/29/667239429.db2.gz FRRNCDOYZDEYCH-CQSZACIVSA-N 1 3 319.453 0.935 20 0 DCADHO C[C@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166351 667256109 /nfs/dbraw/zinc/25/61/09/667256109.db2.gz NJNGQLUZHFAFMX-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166351 667256112 /nfs/dbraw/zinc/25/61/12/667256112.db2.gz NJNGQLUZHFAFMX-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO NC(=O)Cc1cccc2c1CCN(C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000866683083 667387290 /nfs/dbraw/zinc/38/72/90/667387290.db2.gz AEHSMOWRXDYANY-OAHLLOKOSA-N 1 3 315.417 0.594 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCOc2ccccc2)C1 ZINC000866706321 667388782 /nfs/dbraw/zinc/38/87/82/667388782.db2.gz BALOLPIHOMEKLI-VNQPRFMTSA-N 1 3 317.389 0.932 20 0 DCADHO Cc1cc(C)n(CCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866714232 667390292 /nfs/dbraw/zinc/39/02/92/667390292.db2.gz JEMATGPUFRGUOU-ZNMIVQPWSA-N 1 3 319.409 0.367 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035707507 667402651 /nfs/dbraw/zinc/40/26/51/667402651.db2.gz ZKWNTVBFNXQQPB-GDBMZVCRSA-N 1 3 321.465 0.633 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000922987719 667455633 /nfs/dbraw/zinc/45/56/33/667455633.db2.gz IWHHIMMGJPVYKT-AWEZNQCLSA-N 1 3 310.442 0.633 20 0 DCADHO COCC[C@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000884186092 667492664 /nfs/dbraw/zinc/49/26/64/667492664.db2.gz PWWAEJCXEFTFNO-HNNXBMFYSA-N 1 3 309.410 0.607 20 0 DCADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000884240297 667507777 /nfs/dbraw/zinc/50/77/77/667507777.db2.gz OKMPNXDKDSJSBZ-RBSFLKMASA-N 1 3 322.453 0.221 20 0 DCADHO [NH3+]CC1(O)CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000923380782 667521270 /nfs/dbraw/zinc/52/12/70/667521270.db2.gz ILAIISSEBIXFAM-CYBMUJFWSA-N 1 3 314.813 0.865 20 0 DCADHO CO[C@@H](CN)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000884406438 667539754 /nfs/dbraw/zinc/53/97/54/667539754.db2.gz VGJMBFCFFIBUIM-HOTGVXAUSA-N 1 3 305.422 0.736 20 0 DCADHO CO[C@@H](CN)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000884406438 667539757 /nfs/dbraw/zinc/53/97/57/667539757.db2.gz VGJMBFCFFIBUIM-HOTGVXAUSA-N 1 3 305.422 0.736 20 0 DCADHO c1ccc2c(c1)[C@H](C[C@H]1COCC[NH2+]1)CN2C[C@@H]1CNCCO1 ZINC000923541742 667559144 /nfs/dbraw/zinc/55/91/44/667559144.db2.gz VOJOXBKTRPKMRS-PMPSAXMXSA-N 1 3 317.433 0.957 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1(C)C ZINC000868404816 667566776 /nfs/dbraw/zinc/56/67/76/667566776.db2.gz GOTXEJOQLXUUOP-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884577851 667570104 /nfs/dbraw/zinc/57/01/04/667570104.db2.gz NGCAXEZTTJBQOU-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C1=CCN(C)CC1 ZINC000884623750 667578501 /nfs/dbraw/zinc/57/85/01/667578501.db2.gz NGXGPHAMQOKAQL-NWANDNLSSA-N 1 3 320.437 0.106 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884700811 667595039 /nfs/dbraw/zinc/59/50/39/667595039.db2.gz WLQFDGUJYMNJNF-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884787288 667607206 /nfs/dbraw/zinc/60/72/06/667607206.db2.gz MYEPKPJVJVNVTN-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000884787542 667607553 /nfs/dbraw/zinc/60/75/53/667607553.db2.gz VKTNOYFNXXFFEQ-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCNC1=O ZINC000869236798 667640133 /nfs/dbraw/zinc/64/01/33/667640133.db2.gz JJTSIGDLPKZNID-BBRMVZONSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCNC1=O ZINC000869236798 667640135 /nfs/dbraw/zinc/64/01/35/667640135.db2.gz JJTSIGDLPKZNID-BBRMVZONSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CC[C@@H](NS(=O)(=O)N1CCNCC1)C(C)(C)C ZINC000923612117 667667531 /nfs/dbraw/zinc/66/75/31/667667531.db2.gz MPEORJFFHYFTFS-GFCCVEGCSA-N 1 3 306.476 0.092 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000738981973 667689052 /nfs/dbraw/zinc/68/90/52/667689052.db2.gz ATLMTWMFFUURDG-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO O=S(=O)(NC1CCC([NH+]2CCCCC2)CC1)C1CNC1 ZINC000923625502 667775654 /nfs/dbraw/zinc/77/56/54/667775654.db2.gz JPFIVESFKWUMCB-UHFFFAOYSA-N 1 3 301.456 0.675 20 0 DCADHO CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923630156 667815622 /nfs/dbraw/zinc/81/56/22/667815622.db2.gz SQWKVNLAMQCJKV-BFHYXJOUSA-N 1 3 301.456 0.484 20 0 DCADHO [NH3+]C[C@@H](NS(=O)(=O)C1CNC1)c1ccc2ccccc2c1 ZINC000923636043 667889921 /nfs/dbraw/zinc/88/99/21/667889921.db2.gz KIRLGJAHUYNZNZ-OAHLLOKOSA-N 1 3 305.403 0.731 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000889761140 667993018 /nfs/dbraw/zinc/99/30/18/667993018.db2.gz JWQUMYCILDDJIV-HZPDHXFCSA-N 1 3 309.454 0.776 20 0 DCADHO O=C1OC[C@]2(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)COCCN12 ZINC000873248390 668068332 /nfs/dbraw/zinc/06/83/32/668068332.db2.gz DYFCEVDVGHQDIY-NHIYQJMISA-N 1 3 309.410 0.718 20 0 DCADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCN(CCN3CCOCC3)C2)C12CCC2 ZINC000925499104 668158057 /nfs/dbraw/zinc/15/80/57/668158057.db2.gz VFGYSFCUDFEDJD-BZUAXINKSA-N 1 3 308.470 0.252 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000925079855 668272133 /nfs/dbraw/zinc/27/21/33/668272133.db2.gz INCXSSRZFVDOLV-SOABOVLPSA-N 1 3 322.497 0.323 20 0 DCADHO O=C(NCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccn[nH]1 ZINC000925631991 668337661 /nfs/dbraw/zinc/33/76/61/668337661.db2.gz NBVPPDQMNKKJLW-KBPBESRZSA-N 1 3 305.426 0.897 20 0 DCADHO [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2NCc1nnnn1-c1ccccc1 ZINC000925711316 668342108 /nfs/dbraw/zinc/34/21/08/668342108.db2.gz ZUGNDNMYZUFSRD-YUNMBCIXSA-N 1 3 314.393 0.504 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000925722858 668342582 /nfs/dbraw/zinc/34/25/82/668342582.db2.gz OAKSHJQIDMPMRT-BLLLJJGKSA-N 1 3 300.410 0.956 20 0 DCADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](N)C23CCC3)N(c2ccncn2)C1 ZINC000925730809 668343365 /nfs/dbraw/zinc/34/33/65/668343365.db2.gz QHNAGGKRIFCUFI-XQLPTFJDSA-N 1 3 317.437 0.930 20 0 DCADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H](N)C23CCC3)N(c2ccncn2)C1 ZINC000925730810 668343378 /nfs/dbraw/zinc/34/33/78/668343378.db2.gz QHNAGGKRIFCUFI-ZQDZILKHSA-N 1 3 317.437 0.930 20 0 DCADHO C[C@H]1CN(C(=O)Nc2ccnn2CCN(C)C)CC[C@H]1C[NH3+] ZINC000926129330 668375058 /nfs/dbraw/zinc/37/50/58/668375058.db2.gz BZCWSOLTNVEGIW-STQMWFEESA-N 1 3 308.430 0.893 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926336688 668395924 /nfs/dbraw/zinc/39/59/24/668395924.db2.gz ZWNSOETXDAMWBJ-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926388259 668402985 /nfs/dbraw/zinc/40/29/85/668402985.db2.gz CSAWFUXOWJQXGH-CQSZACIVSA-N 1 3 310.442 0.128 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000926412685 668405155 /nfs/dbraw/zinc/40/51/55/668405155.db2.gz CMQBGFAFOZSCBX-MBOZISHXSA-N 1 3 315.483 0.730 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927639184 668490315 /nfs/dbraw/zinc/49/03/15/668490315.db2.gz BHCCMSUQYQMQNK-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000876723442 668496618 /nfs/dbraw/zinc/49/66/18/668496618.db2.gz AKAYPDLRLAPHRT-UHFFFAOYSA-N 1 3 305.426 0.827 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000876731976 668497972 /nfs/dbraw/zinc/49/79/72/668497972.db2.gz QQRTVSUGFRRUJI-INIZCTEOSA-N 1 3 310.486 0.990 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000876731976 668497974 /nfs/dbraw/zinc/49/79/74/668497974.db2.gz QQRTVSUGFRRUJI-INIZCTEOSA-N 1 3 310.486 0.990 20 0 DCADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1n[nH]c2c1CNCC2 ZINC000877054293 668557950 /nfs/dbraw/zinc/55/79/50/668557950.db2.gz GZWBUQSKINFPGF-UHFFFAOYSA-N 1 3 313.361 0.790 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207369 668576970 /nfs/dbraw/zinc/57/69/70/668576970.db2.gz UKNCUDZEMQCMKV-XHDPSFHLSA-N 1 3 314.393 0.340 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000877450499 668619784 /nfs/dbraw/zinc/61/97/84/668619784.db2.gz CQKAAGSVURKECN-NWANDNLSSA-N 1 3 318.425 0.511 20 0 DCADHO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000769613438 668655378 /nfs/dbraw/zinc/65/53/78/668655378.db2.gz YADKSCXNOULJMN-LSDHHAIUSA-N 1 3 310.442 0.587 20 0 DCADHO CC[N@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000769613438 668655381 /nfs/dbraw/zinc/65/53/81/668655381.db2.gz YADKSCXNOULJMN-LSDHHAIUSA-N 1 3 310.442 0.587 20 0 DCADHO O[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000929276112 668671310 /nfs/dbraw/zinc/67/13/10/668671310.db2.gz OOXHDZRKLPNZEF-SJORKVTESA-N 1 3 312.454 0.697 20 0 DCADHO [NH3+]C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)c2ccccc21 ZINC000923671181 668717970 /nfs/dbraw/zinc/71/79/70/668717970.db2.gz IMXISVOJEFCMAA-LBPRGKRZSA-N 1 3 310.423 0.089 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933849762 669541390 /nfs/dbraw/zinc/54/13/90/669541390.db2.gz YGCIAOCVTOAMMH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933849762 669541393 /nfs/dbraw/zinc/54/13/93/669541393.db2.gz YGCIAOCVTOAMMH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC000883658177 669727205 /nfs/dbraw/zinc/72/72/05/669727205.db2.gz UULCTOIXGZIMDS-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793703860 669735613 /nfs/dbraw/zinc/73/56/13/669735613.db2.gz ZGNGMNFZHXYUDK-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793703860 669735616 /nfs/dbraw/zinc/73/56/16/669735616.db2.gz ZGNGMNFZHXYUDK-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)CC[N@@H+]1C ZINC000950247622 669984998 /nfs/dbraw/zinc/98/49/98/669984998.db2.gz BBQGXJPZFFTDKM-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)CC[N@H+]1C ZINC000950247622 669985001 /nfs/dbraw/zinc/98/50/01/669985001.db2.gz BBQGXJPZFFTDKM-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849541278 670815743 /nfs/dbraw/zinc/81/57/43/670815743.db2.gz MRZXLCCESOIXRF-FVQBIDKESA-N 1 3 321.469 0.912 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849541279 670815834 /nfs/dbraw/zinc/81/58/34/670815834.db2.gz MRZXLCCESOIXRF-KBMXLJTQSA-N 1 3 321.469 0.912 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCC[NH2+]C(C)(C)C)cn1 ZINC000849612360 670827280 /nfs/dbraw/zinc/82/72/80/670827280.db2.gz KKVABUSMWXEOKS-GJZGRUSLSA-N 1 3 321.469 0.960 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNS(=O)(=O)Cc1ccccc1 ZINC000817891791 670951539 /nfs/dbraw/zinc/95/15/39/670951539.db2.gz HCYITPNHMUVPKC-GJZGRUSLSA-N 1 3 311.451 0.823 20 0 DCADHO C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)[C@H](C[NH3+])C1 ZINC000851657036 671005520 /nfs/dbraw/zinc/00/55/20/671005520.db2.gz TZVCPJIOFBHRJI-KBXIAJHMSA-N 1 3 310.442 0.618 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)NCC12CC(C1)C[NH2+]2 ZINC000851667911 671008227 /nfs/dbraw/zinc/00/82/27/671008227.db2.gz QBAGHTIYHJXYGO-YAJUMTOWSA-N 1 3 300.406 0.925 20 0 DCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819004234 671083995 /nfs/dbraw/zinc/08/39/95/671083995.db2.gz LKVQLPOTYKFEBM-HZPDHXFCSA-N 1 3 305.422 0.897 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859523492 671122770 /nfs/dbraw/zinc/12/27/70/671122770.db2.gz XCFOVSAMVWZJGV-HZPDHXFCSA-N 1 3 314.470 0.941 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859523492 671122772 /nfs/dbraw/zinc/12/27/72/671122772.db2.gz XCFOVSAMVWZJGV-HZPDHXFCSA-N 1 3 314.470 0.941 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc2c1C[NH2+]C2 ZINC000852798225 671161327 /nfs/dbraw/zinc/16/13/27/671161327.db2.gz GWJVIOFGGMRBPV-KBPBESRZSA-N 1 3 301.390 0.883 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)c2[nH]nc3c2CNCC3)CCO1 ZINC000852924761 671196360 /nfs/dbraw/zinc/19/63/60/671196360.db2.gz UHZBVJLYVADTNA-LBPRGKRZSA-N 1 3 321.425 0.238 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000827936977 671540150 /nfs/dbraw/zinc/54/01/50/671540150.db2.gz YZHZLZOFCFQLDB-FXUDXRNXSA-N 1 3 307.438 0.602 20 0 DCADHO CC1([NH+]2CCC2)CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000834786935 671780243 /nfs/dbraw/zinc/78/02/43/671780243.db2.gz WISZZAJFAMGJFW-UPTPFMHGSA-N 1 3 320.481 0.900 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000841791400 671955942 /nfs/dbraw/zinc/95/59/42/671955942.db2.gz WGKAFQLDHCWNED-HOTGVXAUSA-N 1 3 324.469 0.881 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000841791438 671956015 /nfs/dbraw/zinc/95/60/15/671956015.db2.gz WVBTXENXFPDCHW-SOUVJXGZSA-N 1 3 310.442 0.620 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841791524 671956133 /nfs/dbraw/zinc/95/61/33/671956133.db2.gz YWSUIHHTCNMBIW-IJLUTSLNSA-N 1 3 318.368 0.146 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842014284 671974064 /nfs/dbraw/zinc/97/40/64/671974064.db2.gz BPRIWUHSKXTLHA-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000842014486 671974222 /nfs/dbraw/zinc/97/42/22/671974222.db2.gz CHNWCRZRKDAQOO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCCCC1 ZINC000842016907 671975401 /nfs/dbraw/zinc/97/54/01/671975401.db2.gz ZKAOCGZQVBZSOL-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2C[NH2+]CCO2)cc(Cl)n1 ZINC000842510604 672015872 /nfs/dbraw/zinc/01/58/72/672015872.db2.gz SWVZMSIFLHBACG-NEPJUHHUSA-N 1 3 312.801 0.538 20 0 DCADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC(=O)NC1CCCC1 ZINC000843363831 672087518 /nfs/dbraw/zinc/08/75/18/672087518.db2.gz CRRJTAXTUPIXPU-UHFFFAOYSA-N 1 3 308.426 0.830 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000846143769 672296974 /nfs/dbraw/zinc/29/69/74/672296974.db2.gz HNMWFJGDOTYVOK-LSDHHAIUSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCCCC1 ZINC000846334785 672307102 /nfs/dbraw/zinc/30/71/02/672307102.db2.gz HVERRIDKFQONJG-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCCCC1 ZINC000846334787 672307249 /nfs/dbraw/zinc/30/72/49/672307249.db2.gz HVERRIDKFQONJG-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1COCCN1C1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000846913858 672353150 /nfs/dbraw/zinc/35/31/50/672353150.db2.gz VMCMTLQZGZPFTQ-NVXWUHKLSA-N 1 3 311.470 0.628 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891439202 685419320 /nfs/dbraw/zinc/41/93/20/685419320.db2.gz FKUQCOOXNYUDEM-RBVVOMGSSA-N 1 3 324.469 0.927 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC000953903540 685894348 /nfs/dbraw/zinc/89/43/48/685894348.db2.gz WDOFEJHRBZGXPJ-LSDHHAIUSA-N 1 3 324.469 0.336 20 0 DCADHO CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539191 694110628 /nfs/dbraw/zinc/11/06/28/694110628.db2.gz ZUYZVIXXYBNJRF-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539191 694110631 /nfs/dbraw/zinc/11/06/31/694110631.db2.gz ZUYZVIXXYBNJRF-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC000960042268 688286440 /nfs/dbraw/zinc/28/64/40/688286440.db2.gz FOEZMZHXSPVWAS-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)CN1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038812077 694198870 /nfs/dbraw/zinc/19/88/70/694198870.db2.gz YIYLWQLIQNIZKA-OAHLLOKOSA-N 1 3 307.442 0.905 20 0 DCADHO CC(C)[NH2+]CC1CC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000962103525 688813588 /nfs/dbraw/zinc/81/35/88/688813588.db2.gz OEBBTFQBRDSTJE-RDVIWEACSA-N 1 3 307.438 0.742 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NC1CC(CNCc2ccn(C)n2)C1 ZINC000962305230 688878391 /nfs/dbraw/zinc/87/83/91/688878391.db2.gz DXWXEOQUNDTUND-HLIUYOAVSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NC1CC(CNCc2ccn(C)n2)C1 ZINC000962305230 688878394 /nfs/dbraw/zinc/87/83/94/688878394.db2.gz DXWXEOQUNDTUND-HLIUYOAVSA-N 1 3 319.453 0.889 20 0 DCADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000962308888 688879947 /nfs/dbraw/zinc/87/99/47/688879947.db2.gz IYVZTRJXDNUWTC-RUXDESIVSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1 ZINC000965065022 689347729 /nfs/dbraw/zinc/34/77/29/689347729.db2.gz TUZSXOQZGLGNDY-CBTLZMEFSA-N 1 3 309.454 0.869 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CCO)CC[C@@H]2C)CC1 ZINC000968493136 690293531 /nfs/dbraw/zinc/29/35/31/690293531.db2.gz OXBHLAHFXHEJON-GOEBONIOSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(CCO)CC[C@H]2C)CC1 ZINC000968493138 690293550 /nfs/dbraw/zinc/29/35/50/690293550.db2.gz OXBHLAHFXHEJON-ZBFHGGJFSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011159256 691479131 /nfs/dbraw/zinc/47/91/31/691479131.db2.gz RBOFYMWHTLBDHF-CABCVRRESA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011159256 691479133 /nfs/dbraw/zinc/47/91/33/691479133.db2.gz RBOFYMWHTLBDHF-CABCVRRESA-N 1 3 324.469 0.195 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC001011322647 691509971 /nfs/dbraw/zinc/50/99/71/691509971.db2.gz LYCFCABAUUXCGO-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCN(CCCO)C2)cc1 ZINC001015840109 692465511 /nfs/dbraw/zinc/46/55/11/692465511.db2.gz SVKSVQCQNFBNBB-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001018835481 693255984 /nfs/dbraw/zinc/25/59/84/693255984.db2.gz JGGCVGHKNWRAJC-HOCLYGCPSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001018835481 693255986 /nfs/dbraw/zinc/25/59/86/693255986.db2.gz JGGCVGHKNWRAJC-HOCLYGCPSA-N 1 3 319.453 0.983 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001019032193 693329739 /nfs/dbraw/zinc/32/97/39/693329739.db2.gz KZVVKRMBPKFJNY-DZGCQCFKSA-N 1 3 307.442 0.493 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019290118 693422232 /nfs/dbraw/zinc/42/22/32/693422232.db2.gz RGPPEZNIIQUMAH-XDQVBPFNSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001019290118 693422235 /nfs/dbraw/zinc/42/22/35/693422235.db2.gz RGPPEZNIIQUMAH-XDQVBPFNSA-N 1 3 310.442 0.171 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001019386744 693458291 /nfs/dbraw/zinc/45/82/91/693458291.db2.gz VDISYAOCNHXASM-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1)C(N)=O ZINC001019593350 693534599 /nfs/dbraw/zinc/53/45/99/693534599.db2.gz VXNHPEGPZOQBIK-LSDHHAIUSA-N 1 3 324.469 0.561 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001019812290 693593235 /nfs/dbraw/zinc/59/32/35/693593235.db2.gz HNIBKSIXBBZBAU-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC001020171962 693721601 /nfs/dbraw/zinc/72/16/01/693721601.db2.gz GDGUKOGXZZDZSJ-IXYNUQLISA-N 1 3 317.437 0.862 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC001020171962 693721604 /nfs/dbraw/zinc/72/16/04/693721604.db2.gz GDGUKOGXZZDZSJ-IXYNUQLISA-N 1 3 317.437 0.862 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001072678843 694651502 /nfs/dbraw/zinc/65/15/02/694651502.db2.gz AEIBUHSIUJUCTJ-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073627289 694754952 /nfs/dbraw/zinc/75/49/52/694754952.db2.gz MFTXLLUORPDSFD-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073627289 694754954 /nfs/dbraw/zinc/75/49/54/694754954.db2.gz MFTXLLUORPDSFD-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073627287 694755226 /nfs/dbraw/zinc/75/52/26/694755226.db2.gz MFTXLLUORPDSFD-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073627287 694755227 /nfs/dbraw/zinc/75/52/27/694755227.db2.gz MFTXLLUORPDSFD-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCF)CCCO2)C1 ZINC001073891925 694797114 /nfs/dbraw/zinc/79/71/14/694797114.db2.gz VRIDODTZIBUGGA-KGLIPLIRSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(CCCF)CCCO2)C1 ZINC001073891925 694797116 /nfs/dbraw/zinc/79/71/16/694797116.db2.gz VRIDODTZIBUGGA-KGLIPLIRSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCCF)CCCO2)C1 ZINC001073891923 694797273 /nfs/dbraw/zinc/79/72/73/694797273.db2.gz VRIDODTZIBUGGA-KBPBESRZSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CN(CCCF)CCCO2)C1 ZINC001073891923 694797274 /nfs/dbraw/zinc/79/72/74/694797274.db2.gz VRIDODTZIBUGGA-KBPBESRZSA-N 1 3 301.406 0.505 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074792902 694923576 /nfs/dbraw/zinc/92/35/76/694923576.db2.gz DFOUPRDSLHOXPS-BYNSBNAKSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@@H]1C ZINC001074877434 694927779 /nfs/dbraw/zinc/92/77/79/694927779.db2.gz BWHXCHUQRVTYMY-YCPHGPKFSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H](CCC[NH2+][C@@H]1CCCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001571269548 1162689156 /nfs/dbraw/zinc/68/91/56/1162689156.db2.gz BERUHCAYZWFMTB-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]C/C=C\Cl)N(C)C ZINC001571594589 1162838376 /nfs/dbraw/zinc/83/83/76/1162838376.db2.gz DZSWBUPIYIXZKF-ZSBJFDRYSA-N 1 3 305.850 0.734 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001691277892 1157628043 /nfs/dbraw/zinc/62/80/43/1157628043.db2.gz MCQKGZUDZCPOJJ-OAHLLOKOSA-N 1 3 307.442 0.642 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(OCCC[NH2+]CCO)CC1 ZINC001755344301 1158034663 /nfs/dbraw/zinc/03/46/63/1158034663.db2.gz SQXBAYZUCAIFPN-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001691537663 1158322574 /nfs/dbraw/zinc/32/25/74/1158322574.db2.gz KLFBOWLOBQSANA-UBHSHLNASA-N 1 3 308.426 0.906 20 0 DCADHO C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001649078759 1158633078 /nfs/dbraw/zinc/63/30/78/1158633078.db2.gz NGFWPHQOEGVJNF-HZSPNIEDSA-N 1 3 317.437 0.702 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001720095391 1158963652 /nfs/dbraw/zinc/96/36/52/1158963652.db2.gz LWANMZQKCQBQRO-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001720095391 1158963655 /nfs/dbraw/zinc/96/36/55/1158963655.db2.gz LWANMZQKCQBQRO-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001439039781 1159277631 /nfs/dbraw/zinc/27/76/31/1159277631.db2.gz ACRAMCIUXRRRPG-GJZGRUSLSA-N 1 3 308.426 0.235 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001445956195 1159322774 /nfs/dbraw/zinc/32/27/74/1159322774.db2.gz TXWLLPUCTIVFRK-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO COCC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001446774529 1159531763 /nfs/dbraw/zinc/53/17/63/1159531763.db2.gz JRILQQHYIWACJD-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO COCC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001446774529 1159531767 /nfs/dbraw/zinc/53/17/67/1159531767.db2.gz JRILQQHYIWACJD-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO C[N@H+](CCC(=O)NCC1(NCC(N)=O)CCC1)C1CCCCC1 ZINC001447220160 1159601327 /nfs/dbraw/zinc/60/13/27/1159601327.db2.gz VJODWFJBFCSAIY-UHFFFAOYSA-N 1 3 324.469 0.755 20 0 DCADHO C[N@@H+](CCC(=O)NCC1(NCC(N)=O)CCC1)C1CCCCC1 ZINC001447220160 1159601329 /nfs/dbraw/zinc/60/13/29/1159601329.db2.gz VJODWFJBFCSAIY-UHFFFAOYSA-N 1 3 324.469 0.755 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001447553038 1159657599 /nfs/dbraw/zinc/65/75/99/1159657599.db2.gz WITVJYXQPRHPFZ-UHFFFAOYSA-N 1 3 321.425 0.401 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001566779718 1160150294 /nfs/dbraw/zinc/15/02/94/1160150294.db2.gz BWGRSUZUKZLPNS-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001566947618 1160191709 /nfs/dbraw/zinc/19/17/09/1160191709.db2.gz BYPWYEZASTWKKY-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCC(F)F)C1 ZINC001567109296 1160242897 /nfs/dbraw/zinc/24/28/97/1160242897.db2.gz BURXQZGZUITHDF-LBPRGKRZSA-N 1 3 307.385 0.799 20 0 DCADHO COc1ncc(CNCCN(C)C(=O)CC[NH+](C)C)c(C)n1 ZINC001567555504 1160419249 /nfs/dbraw/zinc/41/92/49/1160419249.db2.gz PUVSSNZUQQHTTG-UHFFFAOYSA-N 1 3 309.414 0.293 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CC(N)=O ZINC001567643875 1160446997 /nfs/dbraw/zinc/44/69/97/1160446997.db2.gz ZXOXRIOYXCBPQF-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CC(N)=O ZINC001567643875 1160447001 /nfs/dbraw/zinc/44/70/01/1160447001.db2.gz ZXOXRIOYXCBPQF-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)CN(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001567642270 1160447404 /nfs/dbraw/zinc/44/74/04/1160447404.db2.gz MHAJRDHFLSYQID-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001567642270 1160447407 /nfs/dbraw/zinc/44/74/07/1160447407.db2.gz MHAJRDHFLSYQID-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C[NH2+]CCn1cccn1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001568278248 1160619352 /nfs/dbraw/zinc/61/93/52/1160619352.db2.gz QPBQJRJPBJDYRA-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001568300187 1160624133 /nfs/dbraw/zinc/62/41/33/1160624133.db2.gz MIAILAUJRCROSY-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568743387 1160756106 /nfs/dbraw/zinc/75/61/06/1160756106.db2.gz IAWIGTPRKMZDJW-MRXNPFEDSA-N 1 3 319.453 0.700 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568775602 1160769306 /nfs/dbraw/zinc/76/93/06/1160769306.db2.gz DTCHMAZIQUJHAZ-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001568775602 1160769314 /nfs/dbraw/zinc/76/93/14/1160769314.db2.gz DTCHMAZIQUJHAZ-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CCCO ZINC001569850806 1161284904 /nfs/dbraw/zinc/28/49/04/1161284904.db2.gz KLDLIRDUACYWIM-HOTGVXAUSA-N 1 3 311.470 0.785 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CCCOC)C1)N(C)C ZINC001570291154 1161548006 /nfs/dbraw/zinc/54/80/06/1161548006.db2.gz LWFNEWBWBCIECY-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 ZINC001573711048 1163540268 /nfs/dbraw/zinc/54/02/68/1163540268.db2.gz DVVAMSRHVVYQLS-AWEZNQCLSA-N 1 3 324.469 0.836 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)ccc1=O ZINC001573864159 1163571562 /nfs/dbraw/zinc/57/15/62/1163571562.db2.gz VCBRPDDJGFNRIS-BBRMVZONSA-N 1 3 304.394 0.348 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CCCCN1C)[NH2+]CCc1cn[nH]n1 ZINC001575531086 1164051163 /nfs/dbraw/zinc/05/11/63/1164051163.db2.gz FZHICTGGBZLBIT-OCCSQVGLSA-N 1 3 308.430 0.316 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC001575832600 1164165696 /nfs/dbraw/zinc/16/56/96/1164165696.db2.gz DUQSFVOQAASYFD-ZDUSSCGKSA-N 1 3 300.447 0.132 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1O)N(C)Cc1ccccc1 ZINC001576021618 1164214630 /nfs/dbraw/zinc/21/46/30/1164214630.db2.gz GSBCCQSFSFKEPU-BMFZPTHFSA-N 1 3 320.437 0.529 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](CNCc1cn[nH]n1)C1CC1 ZINC001576517570 1164374976 /nfs/dbraw/zinc/37/49/76/1164374976.db2.gz PICDJWLSVSZITL-AWEZNQCLSA-N 1 3 308.430 0.473 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](CNCc1cn[nH]n1)C1CC1 ZINC001576517570 1164374985 /nfs/dbraw/zinc/37/49/85/1164374985.db2.gz PICDJWLSVSZITL-AWEZNQCLSA-N 1 3 308.430 0.473 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)C1 ZINC001576877225 1164511302 /nfs/dbraw/zinc/51/13/02/1164511302.db2.gz COLIUGZHMJWNLF-JSGCOSHPSA-N 1 3 306.414 0.227 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCc2c[nH]nn2)C1 ZINC001576877225 1164511309 /nfs/dbraw/zinc/51/13/09/1164511309.db2.gz COLIUGZHMJWNLF-JSGCOSHPSA-N 1 3 306.414 0.227 20 0 DCADHO C[NH+]1CCC(CC(=O)NCC2CN(CCc3c[nH]nn3)C2)CC1 ZINC001576880779 1164514354 /nfs/dbraw/zinc/51/43/54/1164514354.db2.gz AKIWBGNQSKPFPR-UHFFFAOYSA-N 1 3 320.441 0.127 20 0 DCADHO CCOC(=O)c1cc(CNC[C@@H]2CC3(CO2)CC[NH2+]CC3)[nH]n1 ZINC001578052990 1164908237 /nfs/dbraw/zinc/90/82/37/1164908237.db2.gz BDXDUFYGEANSHE-ZDUSSCGKSA-N 1 3 322.409 0.835 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)C[C@H]1CNCCO1)c1cccnc1 ZINC001578415337 1165006439 /nfs/dbraw/zinc/00/64/39/1165006439.db2.gz LSPUXZRDYSOQQW-LSDHHAIUSA-N 1 3 306.410 0.569 20 0 DCADHO CN(CCNC(=O)[C@]1(F)C[NH2+]CC12COC2)Cc1ccccc1 ZINC001578473792 1165029647 /nfs/dbraw/zinc/02/96/47/1165029647.db2.gz QUVVQTKKPQIQJM-QGZVFWFLSA-N 1 3 321.396 0.563 20 0 DCADHO COC(=O)C[C@H](N)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC001578815895 1165127007 /nfs/dbraw/zinc/12/70/07/1165127007.db2.gz ZPFGPWHYSCFYNY-AWEZNQCLSA-N 1 3 305.378 0.220 20 0 DCADHO COC(=O)C[C@H](N)C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC001578815895 1165127011 /nfs/dbraw/zinc/12/70/11/1165127011.db2.gz ZPFGPWHYSCFYNY-AWEZNQCLSA-N 1 3 305.378 0.220 20 0 DCADHO COC(=O)C[C@H](N)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC001578815895 1165127020 /nfs/dbraw/zinc/12/70/20/1165127020.db2.gz ZPFGPWHYSCFYNY-AWEZNQCLSA-N 1 3 305.378 0.220 20 0 DCADHO COC(=O)C[C@H]([NH3+])C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC001578815895 1165127024 /nfs/dbraw/zinc/12/70/24/1165127024.db2.gz ZPFGPWHYSCFYNY-AWEZNQCLSA-N 1 3 305.378 0.220 20 0 DCADHO COC[C@]1(C(=O)N2CC([NH2+]C3CCOCC3)C2)CCCCN1 ZINC001578972438 1165172744 /nfs/dbraw/zinc/17/27/44/1165172744.db2.gz LQHOSCXPZQCXKK-INIZCTEOSA-N 1 3 311.426 0.125 20 0 DCADHO COC[C@@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001578970056 1165172947 /nfs/dbraw/zinc/17/29/47/1165172947.db2.gz JNRKFVOMTUNYHP-GOEBONIOSA-N 1 3 323.441 0.734 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)CC[NH2+]1 ZINC001579468174 1165319429 /nfs/dbraw/zinc/31/94/29/1165319429.db2.gz ARHMUFCCGKUBSQ-RRCSTGOVSA-N 1 3 309.454 0.869 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@H]2CCN2C2CCOCC2)CCCC1 ZINC001580149374 1165519883 /nfs/dbraw/zinc/51/98/83/1165519883.db2.gz OBSLYZGLFLJCFX-CQSZACIVSA-N 1 3 310.442 0.810 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)NC[C@@H](O)C[NH+]3CCCCC3)cc21 ZINC001580191593 1165533844 /nfs/dbraw/zinc/53/38/44/1165533844.db2.gz RXQVSKCFIUVXQU-OLZOCXBDSA-N 1 3 321.425 0.253 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)C1 ZINC001580207457 1165536526 /nfs/dbraw/zinc/53/65/26/1165536526.db2.gz UNFIXHHWVJSIRU-IHRRRGAJSA-N 1 3 310.442 0.065 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)NC[C@@H]1CCC[NH2+]CC1 ZINC001580653963 1165675252 /nfs/dbraw/zinc/67/52/52/1165675252.db2.gz HFWYBKUQUCLOAZ-ILXRZTDVSA-N 1 3 310.442 0.539 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001646569933 1172427506 /nfs/dbraw/zinc/42/75/06/1172427506.db2.gz KCFXEJRFMCZREK-QLFBSQMISA-N 1 3 323.485 0.595 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[C@@H]2CSCC[NH2+]2)C1(C)C ZINC001646758364 1172513898 /nfs/dbraw/zinc/51/38/98/1172513898.db2.gz LCTBPWXNKHBRDU-LALPHHSUSA-N 1 3 315.483 0.730 20 0 DCADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001647240978 1172758786 /nfs/dbraw/zinc/75/87/86/1172758786.db2.gz KTHUPIYFDAZTGE-LBPRGKRZSA-N 1 3 310.442 0.030 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(CO)C3)CC2)CC1 ZINC001647260225 1172771989 /nfs/dbraw/zinc/77/19/89/1172771989.db2.gz ISQSNJRMJKKNFA-UHFFFAOYSA-N 1 3 309.454 0.633 20 0 DCADHO CN(CC1CCN(C)CC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000063125225 1173067217 /nfs/dbraw/zinc/06/72/17/1173067217.db2.gz ZOTJCUBEELZBNF-UHFFFAOYSA-N 1 3 303.472 0.589 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC001649838402 1173251486 /nfs/dbraw/zinc/25/14/86/1173251486.db2.gz MIYHSDXITQXDNG-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO C[NH2+]CCC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001649847130 1173256640 /nfs/dbraw/zinc/25/66/40/1173256640.db2.gz NRLLUIDOYRGPAJ-UHFFFAOYSA-N 1 3 304.438 0.660 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)NC[C@@H]1CCCCC[NH2+]1 ZINC001650185206 1173505297 /nfs/dbraw/zinc/50/52/97/1173505297.db2.gz LBVRDEBAUISFIA-GJZGRUSLSA-N 1 3 312.458 0.665 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC001650346658 1173583927 /nfs/dbraw/zinc/58/39/27/1173583927.db2.gz OJBLXXXQEGTCDI-QKPAOTATSA-N 1 3 308.470 0.754 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CNCCN2C)C1 ZINC001650346658 1173583930 /nfs/dbraw/zinc/58/39/30/1173583930.db2.gz OJBLXXXQEGTCDI-QKPAOTATSA-N 1 3 308.470 0.754 20 0 DCADHO C[C@@H](C(=O)N1NC(=O)CC12CC[NH2+]CC2)[C@@H](N)c1ccccc1 ZINC001650396159 1173616439 /nfs/dbraw/zinc/61/64/39/1173616439.db2.gz METUUCOHWOPMOZ-IUODEOHRSA-N 1 3 316.405 0.708 20 0 DCADHO C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001650395771 1173617337 /nfs/dbraw/zinc/61/73/37/1173617337.db2.gz KAGWEDWTHJMMFS-WOPDTQHZSA-N 1 3 316.409 0.441 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001661473551 1174128738 /nfs/dbraw/zinc/12/87/38/1174128738.db2.gz LJJOFAGTPPTSIH-AVGNSLFASA-N 1 3 319.396 0.847 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC001662690384 1174232133 /nfs/dbraw/zinc/23/21/33/1174232133.db2.gz GOFNGJVFKNUWPC-UONOGXRCSA-N 1 3 306.410 0.817 20 0 DCADHO NC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663067587 1174262315 /nfs/dbraw/zinc/26/23/15/1174262315.db2.gz WAUFZEVOPWCJRX-HUUCEWRRSA-N 1 3 322.453 0.174 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001664369661 1174426751 /nfs/dbraw/zinc/42/67/51/1174426751.db2.gz GXQQJOLTIWLRGO-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001664369661 1174426753 /nfs/dbraw/zinc/42/67/53/1174426753.db2.gz GXQQJOLTIWLRGO-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001664391958 1174429788 /nfs/dbraw/zinc/42/97/88/1174429788.db2.gz VENDJFOYHJJUSG-OKILXGFUSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CNCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001664391958 1174429792 /nfs/dbraw/zinc/42/97/92/1174429792.db2.gz VENDJFOYHJJUSG-OKILXGFUSA-N 1 3 312.458 0.386 20 0 DCADHO CCn1nncc1C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001668214770 1174768742 /nfs/dbraw/zinc/76/87/42/1174768742.db2.gz OUYNLEJIJQICGZ-KBPBESRZSA-N 1 3 322.457 0.624 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001669753210 1174947206 /nfs/dbraw/zinc/94/72/06/1174947206.db2.gz FHIDAWGXZHTKQU-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001670144285 1174985937 /nfs/dbraw/zinc/98/59/37/1174985937.db2.gz MSABYMQQGVIYHD-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001670345473 1175005795 /nfs/dbraw/zinc/00/57/95/1175005795.db2.gz VROLTCOJRCMGHY-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)nn1C ZINC001670345445 1175006186 /nfs/dbraw/zinc/00/61/86/1175006186.db2.gz USBMSIIIFZGBJR-AWEZNQCLSA-N 1 3 307.442 0.618 20 0 DCADHO Cc1cc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)nn1C ZINC001670345445 1175006192 /nfs/dbraw/zinc/00/61/92/1175006192.db2.gz USBMSIIIFZGBJR-AWEZNQCLSA-N 1 3 307.442 0.618 20 0 DCADHO CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001672023890 1175064651 /nfs/dbraw/zinc/06/46/51/1175064651.db2.gz AIUIZILYTRZHDB-ZBFHGGJFSA-N 1 3 315.458 0.162 20 0 DCADHO CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001672023890 1175064656 /nfs/dbraw/zinc/06/46/56/1175064656.db2.gz AIUIZILYTRZHDB-ZBFHGGJFSA-N 1 3 315.458 0.162 20 0 DCADHO COCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001672433678 1175108512 /nfs/dbraw/zinc/10/85/12/1175108512.db2.gz LGMYAYWFKDDFDX-OWCLPIDISA-N 1 3 311.470 0.999 20 0 DCADHO COCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001672433678 1175108515 /nfs/dbraw/zinc/10/85/15/1175108515.db2.gz LGMYAYWFKDDFDX-OWCLPIDISA-N 1 3 311.470 0.999 20 0 DCADHO COCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001675521857 1175368095 /nfs/dbraw/zinc/36/80/95/1175368095.db2.gz DXJKYMUFPBAXFC-PHZGNYQRSA-N 1 3 309.454 0.801 20 0 DCADHO COCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001675521857 1175368102 /nfs/dbraw/zinc/36/81/02/1175368102.db2.gz DXJKYMUFPBAXFC-PHZGNYQRSA-N 1 3 309.454 0.801 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001676079785 1175417277 /nfs/dbraw/zinc/41/72/77/1175417277.db2.gz YDOVLSIBCXFREV-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001676078803 1175417532 /nfs/dbraw/zinc/41/75/32/1175417532.db2.gz AHKPMGGEGATLPO-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCF ZINC001676588885 1175464824 /nfs/dbraw/zinc/46/48/24/1175464824.db2.gz VBZMPMQVIOVECN-ZIAGYGMSSA-N 1 3 303.422 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CCC(F)(F)F ZINC001677138503 1175535491 /nfs/dbraw/zinc/53/54/91/1175535491.db2.gz RRTVAGNMUYBPEK-LLVKDONJSA-N 1 3 313.364 0.688 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001686661277 1176186190 /nfs/dbraw/zinc/18/61/90/1176186190.db2.gz VQYACTJCJDSFRS-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001686661277 1176186194 /nfs/dbraw/zinc/18/61/94/1176186194.db2.gz VQYACTJCJDSFRS-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001689673365 1177003869 /nfs/dbraw/zinc/00/38/69/1177003869.db2.gz AIAFXBQBTJJSQD-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001689829685 1177082528 /nfs/dbraw/zinc/08/25/28/1177082528.db2.gz VUZNBRJOBBJVMO-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCN(C)[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001689829685 1177082534 /nfs/dbraw/zinc/08/25/34/1177082534.db2.gz VUZNBRJOBBJVMO-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CCCO)C2)C1 ZINC001698698042 1177611906 /nfs/dbraw/zinc/61/19/06/1177611906.db2.gz QPGDSMGYQHJKKY-CVEARBPZSA-N 1 3 311.470 0.929 20 0 DCADHO COC[C@H](O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001698916262 1177721461 /nfs/dbraw/zinc/72/14/61/1177721461.db2.gz DVHQGVHETBQITH-HUUCEWRRSA-N 1 3 324.425 0.320 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001700822124 1178764571 /nfs/dbraw/zinc/76/45/71/1178764571.db2.gz NWLSWCMBRARJQB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(C)(C)C ZINC001703193764 1179384369 /nfs/dbraw/zinc/38/43/69/1179384369.db2.gz DDWVEZXRQRYKJH-ZDUSSCGKSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(C)(C)C ZINC001703193764 1179384377 /nfs/dbraw/zinc/38/43/77/1179384377.db2.gz DDWVEZXRQRYKJH-ZDUSSCGKSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCCN1CCCC1=O ZINC001713315445 1180763612 /nfs/dbraw/zinc/76/36/12/1180763612.db2.gz WJWPDBAFIKGQNN-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000160826425 1180802924 /nfs/dbraw/zinc/80/29/24/1180802924.db2.gz SIHYSXDOPJZEAF-LSDHHAIUSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000160826555 1180802951 /nfs/dbraw/zinc/80/29/51/1180802951.db2.gz SIHYSXDOPJZEAF-HUUCEWRRSA-N 1 3 315.458 0.161 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001713621469 1180973276 /nfs/dbraw/zinc/97/32/76/1180973276.db2.gz PZQREDQTJIZFEJ-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001713932263 1181156121 /nfs/dbraw/zinc/15/61/21/1181156121.db2.gz GLSPEJUNEVXADT-ZDUSSCGKSA-N 1 3 319.409 0.155 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001713985374 1181184875 /nfs/dbraw/zinc/18/48/75/1181184875.db2.gz MNBHBORNPWAHOR-ZNMIVQPWSA-N 1 3 313.442 0.105 20 0 DCADHO C[C@@H](O)C[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001714283801 1181306535 /nfs/dbraw/zinc/30/65/35/1181306535.db2.gz MDLJAHQKVSTJQH-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO Cn1cc(CC[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001714342127 1181327382 /nfs/dbraw/zinc/32/73/82/1181327382.db2.gz CKAVKVQRJKIGCA-HOTGVXAUSA-N 1 3 319.453 0.495 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001715328789 1181774920 /nfs/dbraw/zinc/77/49/20/1181774920.db2.gz WJLOXRINOHVRRZ-DOMZBBRYSA-N 1 3 322.457 0.426 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001715976165 1182127463 /nfs/dbraw/zinc/12/74/63/1182127463.db2.gz IRQICFJPEBHGEI-HOCLYGCPSA-N 1 3 321.469 0.930 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001716008369 1182143019 /nfs/dbraw/zinc/14/30/19/1182143019.db2.gz BRKYZMNTIZTLJE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001716339347 1182344383 /nfs/dbraw/zinc/34/43/83/1182344383.db2.gz DBFLZNUAAVVRNO-WSROAFLRSA-N 1 3 312.458 0.503 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001716368864 1182361260 /nfs/dbraw/zinc/36/12/60/1182361260.db2.gz AOHVKNGRJRJCDH-MSEGVNSJSA-N 1 3 318.421 0.949 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNCCF ZINC001717061916 1182658959 /nfs/dbraw/zinc/65/89/59/1182658959.db2.gz YZQOSUQYQSLBFQ-AWEZNQCLSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(CCO)CCNCCF ZINC001717061916 1182658963 /nfs/dbraw/zinc/65/89/63/1182658963.db2.gz YZQOSUQYQSLBFQ-AWEZNQCLSA-N 1 3 303.422 0.629 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 ZINC001724185419 1184399395 /nfs/dbraw/zinc/39/93/95/1184399395.db2.gz YCKOLUXUEPBIQO-INIZCTEOSA-N 1 3 322.457 0.591 20 0 DCADHO CCOCC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724400369 1184429766 /nfs/dbraw/zinc/42/97/66/1184429766.db2.gz XNKNTCFARNIQHN-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO CCOCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724400369 1184429771 /nfs/dbraw/zinc/42/97/71/1184429771.db2.gz XNKNTCFARNIQHN-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO Cn1cncc1C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001724738682 1184541176 /nfs/dbraw/zinc/54/11/76/1184541176.db2.gz NEMFWQWNQHEZCH-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)CCOCCO ZINC001725176191 1184708914 /nfs/dbraw/zinc/70/89/14/1184708914.db2.gz XKPQVNIAOIPZAF-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCOCC(F)F ZINC001725192017 1184716048 /nfs/dbraw/zinc/71/60/48/1184716048.db2.gz HFIZUWISDIOCMR-NWDGAFQWSA-N 1 3 307.385 0.656 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCOCC(F)F ZINC001725192017 1184716052 /nfs/dbraw/zinc/71/60/52/1184716052.db2.gz HFIZUWISDIOCMR-NWDGAFQWSA-N 1 3 307.385 0.656 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001725693203 1184945652 /nfs/dbraw/zinc/94/56/52/1184945652.db2.gz SFVPIHMVCJIZIG-LSDHHAIUSA-N 1 3 315.433 0.772 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001725693203 1184945655 /nfs/dbraw/zinc/94/56/55/1184945655.db2.gz SFVPIHMVCJIZIG-LSDHHAIUSA-N 1 3 315.433 0.772 20 0 DCADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCNC1=O ZINC001731324453 1185267390 /nfs/dbraw/zinc/26/73/90/1185267390.db2.gz RZHFCWMYRHDWLT-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCNC1=O ZINC001731324453 1185267394 /nfs/dbraw/zinc/26/73/94/1185267394.db2.gz RZHFCWMYRHDWLT-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732996097 1186095539 /nfs/dbraw/zinc/09/55/39/1186095539.db2.gz PVXGNBNKVNUWHD-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732996097 1186095545 /nfs/dbraw/zinc/09/55/45/1186095545.db2.gz PVXGNBNKVNUWHD-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001733143595 1186160854 /nfs/dbraw/zinc/16/08/54/1186160854.db2.gz MXUATWUHFUNLQS-UHFFFAOYSA-N 1 3 322.457 0.640 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]C[C@H]2CCOC2)C1 ZINC001733668697 1186395719 /nfs/dbraw/zinc/39/57/19/1186395719.db2.gz ZVWWFHWZACJRGH-UONOGXRCSA-N 1 3 306.410 0.817 20 0 DCADHO CN(C[C@H](O)C[NH2+]CCCO)C(=O)C(C)(C)N1CCCCC1 ZINC001734517237 1186672612 /nfs/dbraw/zinc/67/26/12/1186672612.db2.gz SJOZJLAZKAYKRK-CQSZACIVSA-N 1 3 315.458 0.042 20 0 DCADHO CN(C[C@@H](O)C[NH2+]C/C=C/Cl)C(=O)CN(C)C1CCC1 ZINC001734518756 1186673539 /nfs/dbraw/zinc/67/35/39/1186673539.db2.gz LXKONWCXEMBSBQ-LVDDQXARSA-N 1 3 303.834 0.632 20 0 DCADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001771820440 1188339031 /nfs/dbraw/zinc/33/90/31/1188339031.db2.gz PSQFUTZTGAEHHQ-HOTGVXAUSA-N 1 3 307.438 0.528 20 0 DCADHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)C(N)=O ZINC001752195196 1188401083 /nfs/dbraw/zinc/40/10/83/1188401083.db2.gz BQDBFMBJWLIVSO-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CCn3cncn3)C2)CCC1 ZINC001752941077 1188465391 /nfs/dbraw/zinc/46/53/91/1188465391.db2.gz XFRVHHBMQAZYJB-AWEZNQCLSA-N 1 3 320.441 0.201 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001753188884 1188528288 /nfs/dbraw/zinc/52/82/88/1188528288.db2.gz CMOPOTHUFNRQJN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753188884 1188528292 /nfs/dbraw/zinc/52/82/92/1188528292.db2.gz CMOPOTHUFNRQJN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001754081304 1188730913 /nfs/dbraw/zinc/73/09/13/1188730913.db2.gz WWLAEAFKMZGVQZ-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001754129785 1188752859 /nfs/dbraw/zinc/75/28/59/1188752859.db2.gz PZUSNGKIEQVUER-NHQLZKDQSA-N 1 3 324.469 0.600 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001754129785 1188752860 /nfs/dbraw/zinc/75/28/60/1188752860.db2.gz PZUSNGKIEQVUER-NHQLZKDQSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)N(C)C ZINC001754157297 1188763177 /nfs/dbraw/zinc/76/31/77/1188763177.db2.gz SSIAZHCWGFAKNG-LMVHVUTASA-N 1 3 324.469 0.600 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cccn1 ZINC001754267317 1188803747 /nfs/dbraw/zinc/80/37/47/1188803747.db2.gz FNZOQUIBSBEYOH-LSDHHAIUSA-N 1 3 307.442 0.850 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ncoc3CN)C2)CC1 ZINC001771873298 1190538509 /nfs/dbraw/zinc/53/85/09/1190538509.db2.gz LJNYEMJXYAQDRD-NSHDSACASA-N 1 3 307.398 0.032 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ncoc3CN)C2)CC1 ZINC001771873298 1190538513 /nfs/dbraw/zinc/53/85/13/1190538513.db2.gz LJNYEMJXYAQDRD-NSHDSACASA-N 1 3 307.398 0.032 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)CNC[C@H]1CCCO1)c1cccnc1 ZINC001772273567 1190650409 /nfs/dbraw/zinc/65/04/09/1190650409.db2.gz BJCRAOWSBBLQHF-HZPDHXFCSA-N 1 3 320.437 0.959 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001772284182 1190653307 /nfs/dbraw/zinc/65/33/07/1190653307.db2.gz STKCVAAMMVOFTJ-GOEBONIOSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC001772321871 1190662591 /nfs/dbraw/zinc/66/25/91/1190662591.db2.gz GRVYJWPHMMQPDH-CABCVRRESA-N 1 3 309.385 0.923 20 0 DCADHO CC1(C)CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCO ZINC001576458018 1164350920 /nfs/dbraw/zinc/35/09/20/1164350920.db2.gz UTUQQMBDVPMLDK-HNNXBMFYSA-N 1 3 311.470 0.534 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCCCC1 ZINC001127474820 751412135 /nfs/dbraw/zinc/41/21/35/751412135.db2.gz PESRHEREUMBBLR-HNNXBMFYSA-N 1 3 322.453 0.047 20 0 DCADHO CN(C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(C)C1 ZINC001578529510 1165047010 /nfs/dbraw/zinc/04/70/10/1165047010.db2.gz WXXIETGWWZOATP-NEPJUHHUSA-N 1 3 304.385 0.967 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CCn2cncn2)C1)N(C)C ZINC001100443649 747053185 /nfs/dbraw/zinc/05/31/85/747053185.db2.gz TXRAKSJQFBMIPU-JXQTWKCFSA-N 1 3 308.430 0.103 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104731968 747844727 /nfs/dbraw/zinc/84/47/27/747844727.db2.gz GOEWYPUGDQIJKG-JHJVBQTASA-N 1 3 321.425 0.161 20 0 DCADHO CCCCNCc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098722874 749279713 /nfs/dbraw/zinc/27/97/13/749279713.db2.gz QJFAXDUGRHGYCD-HNNXBMFYSA-N 1 3 322.457 0.893 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088323825 749369002 /nfs/dbraw/zinc/36/90/02/749369002.db2.gz ZUTGHMVBQHBTNK-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088323825 749369008 /nfs/dbraw/zinc/36/90/08/749369008.db2.gz ZUTGHMVBQHBTNK-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO COCCOCC[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918459 749556531 /nfs/dbraw/zinc/55/65/31/749556531.db2.gz XHBBCWBOSATJHP-UHFFFAOYSA-N 1 3 324.425 0.408 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083521671 750090519 /nfs/dbraw/zinc/09/05/19/750090519.db2.gz CJXJZMZUDZZGDC-OAGGEKHMSA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083521671 750090528 /nfs/dbraw/zinc/09/05/28/750090528.db2.gz CJXJZMZUDZZGDC-OAGGEKHMSA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)C1 ZINC001077128075 750214786 /nfs/dbraw/zinc/21/47/86/750214786.db2.gz VYLBOOLFUSHNQQ-BRWVUGGUSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)C1 ZINC001077128075 750214789 /nfs/dbraw/zinc/21/47/89/750214789.db2.gz VYLBOOLFUSHNQQ-BRWVUGGUSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077131822 750217206 /nfs/dbraw/zinc/21/72/06/750217206.db2.gz MFAYPFHYBWWQQW-ARFHVFGLSA-N 1 3 309.454 0.821 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077131822 750217208 /nfs/dbraw/zinc/21/72/08/750217208.db2.gz MFAYPFHYBWWQQW-ARFHVFGLSA-N 1 3 309.454 0.821 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)NCC1CC1 ZINC001127254401 750928373 /nfs/dbraw/zinc/92/83/73/750928373.db2.gz FCKHLPAVXRIARV-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)NCC1CC1 ZINC001127254401 750928374 /nfs/dbraw/zinc/92/83/74/750928374.db2.gz FCKHLPAVXRIARV-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)C(C)(C)[NH+]2CCCCC2)C1=O ZINC001127321671 751109491 /nfs/dbraw/zinc/10/94/91/751109491.db2.gz CJOFFIVPCFVLMO-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106663169 751219254 /nfs/dbraw/zinc/21/92/54/751219254.db2.gz UMAGUJSFYXNWPN-QLFBSQMISA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106674410 751223460 /nfs/dbraw/zinc/22/34/60/751223460.db2.gz UQXCDEPBKQJCDU-MCIONIFRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106729657 751250662 /nfs/dbraw/zinc/25/06/62/751250662.db2.gz VWCJIHBFHYNMAV-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001203460685 752675264 /nfs/dbraw/zinc/67/52/64/752675264.db2.gz VIYXTWJLPVTSRK-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC001203460545 752675351 /nfs/dbraw/zinc/67/53/51/752675351.db2.gz RPKRJOUZEGCBGK-UHFFFAOYSA-N 1 3 311.455 0.961 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817956 752700077 /nfs/dbraw/zinc/70/00/77/752700077.db2.gz BSQWSWAPPRKTSZ-HUUCEWRRSA-N 1 3 323.441 0.020 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001045308728 753138345 /nfs/dbraw/zinc/13/83/45/753138345.db2.gz ILMJBJHTEFGGBR-CABCVRRESA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001045308728 753138348 /nfs/dbraw/zinc/13/83/48/753138348.db2.gz ILMJBJHTEFGGBR-CABCVRRESA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045310930 753140835 /nfs/dbraw/zinc/14/08/35/753140835.db2.gz WWWKJCMNTQSLRQ-HNNXBMFYSA-N 1 3 305.426 0.597 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001078503743 753276018 /nfs/dbraw/zinc/27/60/18/753276018.db2.gz XTIWWNDAQPVZJO-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001078503743 753276024 /nfs/dbraw/zinc/27/60/24/753276024.db2.gz XTIWWNDAQPVZJO-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046009910 753412621 /nfs/dbraw/zinc/41/26/21/753412621.db2.gz FUTDTYHGLQUCJY-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046009910 753412624 /nfs/dbraw/zinc/41/26/24/753412624.db2.gz FUTDTYHGLQUCJY-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035847 753439232 /nfs/dbraw/zinc/43/92/32/753439232.db2.gz UVHUJXYRACSVEL-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001046035847 753439234 /nfs/dbraw/zinc/43/92/34/753439234.db2.gz UVHUJXYRACSVEL-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO COCCN1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326429 753646684 /nfs/dbraw/zinc/64/66/84/753646684.db2.gz MOVBJUGWFFIUNK-INIZCTEOSA-N 1 3 323.441 0.285 20 0 DCADHO CC(C)[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046489920 753747155 /nfs/dbraw/zinc/74/71/55/753747155.db2.gz CYDIDYDRAFKNBV-BYLPVYNFSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046489920 753747159 /nfs/dbraw/zinc/74/71/59/753747159.db2.gz CYDIDYDRAFKNBV-BYLPVYNFSA-N 1 3 307.438 0.839 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@@]2(C)CCN(CCCO)C2)cn1 ZINC001046696313 753879691 /nfs/dbraw/zinc/87/96/91/753879691.db2.gz TWORFLWBQJBUBP-INIZCTEOSA-N 1 3 323.441 0.021 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044745129 754131301 /nfs/dbraw/zinc/13/13/01/754131301.db2.gz SBLJXLRZJFFVPR-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001128783482 754284530 /nfs/dbraw/zinc/28/45/30/754284530.db2.gz HXPJUGPHKDXTCJ-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001128783482 754284531 /nfs/dbraw/zinc/28/45/31/754284531.db2.gz HXPJUGPHKDXTCJ-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001128786332 754288620 /nfs/dbraw/zinc/28/86/20/754288620.db2.gz VIVIOYREMJYUPJ-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001128786332 754288623 /nfs/dbraw/zinc/28/86/23/754288623.db2.gz VIVIOYREMJYUPJ-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCN2CCN(C)CC2)[C@@H](C)C1 ZINC001143238432 754517729 /nfs/dbraw/zinc/51/77/29/754517729.db2.gz UOCSPNIFHNCZKF-JKSUJKDBSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)CCN2CCN(C)CC2)[C@@H](C)C1 ZINC001143238432 754517733 /nfs/dbraw/zinc/51/77/33/754517733.db2.gz UOCSPNIFHNCZKF-JKSUJKDBSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC001048390893 754734968 /nfs/dbraw/zinc/73/49/68/754734968.db2.gz DTCGEWFEAVAONZ-OLZOCXBDSA-N 1 3 316.409 0.570 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001048391853 754736192 /nfs/dbraw/zinc/73/61/92/754736192.db2.gz HQNLXIWPXYQKHN-QWHCGFSZSA-N 1 3 316.409 0.570 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001048888657 755000077 /nfs/dbraw/zinc/00/00/77/755000077.db2.gz TUFQAVRNKBEISX-CAOSSQGBSA-N 1 3 309.454 0.753 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001048888657 755000080 /nfs/dbraw/zinc/00/00/80/755000080.db2.gz TUFQAVRNKBEISX-CAOSSQGBSA-N 1 3 309.454 0.753 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050547286 755566276 /nfs/dbraw/zinc/56/62/76/755566276.db2.gz ZMJUWVUAKYCCBV-CQSZACIVSA-N 1 3 309.454 0.776 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080442176 756215034 /nfs/dbraw/zinc/21/50/34/756215034.db2.gz OWOILSZUFWWRTJ-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1)N(C)C ZINC001054148694 756385494 /nfs/dbraw/zinc/38/54/94/756385494.db2.gz TXULXKAZGGUEBQ-DOTOQJQBSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1)N(C)C ZINC001054148694 756385498 /nfs/dbraw/zinc/38/54/98/756385498.db2.gz TXULXKAZGGUEBQ-DOTOQJQBSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001054298380 756427742 /nfs/dbraw/zinc/42/77/42/756427742.db2.gz BPGRLOAGHAGOCK-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001054297670 756427928 /nfs/dbraw/zinc/42/79/28/756427928.db2.gz CPAIOEGFLGTFIW-RFQIPJPRSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001054297670 756427930 /nfs/dbraw/zinc/42/79/30/756427930.db2.gz CPAIOEGFLGTFIW-RFQIPJPRSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1cnnn1C ZINC001082559418 757186000 /nfs/dbraw/zinc/18/60/00/757186000.db2.gz FDHGNIXXKGOQBO-DFBGVHRSSA-N 1 3 320.441 0.092 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(N)=O ZINC001082559556 757186019 /nfs/dbraw/zinc/18/60/19/757186019.db2.gz JFDKQYCEVLAUQC-BPLDGKMQSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(N)=O ZINC001082559556 757186024 /nfs/dbraw/zinc/18/60/24/757186024.db2.gz JFDKQYCEVLAUQC-BPLDGKMQSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082612449 757205406 /nfs/dbraw/zinc/20/54/06/757205406.db2.gz OPSYWQNVGVQZLB-MCIONIFRSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082612449 757205415 /nfs/dbraw/zinc/20/54/15/757205415.db2.gz OPSYWQNVGVQZLB-MCIONIFRSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCn1cncn1 ZINC001082740627 757252018 /nfs/dbraw/zinc/25/20/18/757252018.db2.gz AIAFNFNROCABHK-RBSFLKMASA-N 1 3 320.441 0.199 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n[nH]1 ZINC001082861474 757301761 /nfs/dbraw/zinc/30/17/61/757301761.db2.gz CCSUMEXVQSDJDG-KWCYVHTRSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n[nH]1 ZINC001082861474 757301773 /nfs/dbraw/zinc/30/17/73/757301773.db2.gz CCSUMEXVQSDJDG-KWCYVHTRSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nn(C)c(Cl)c1CNCCCNC(=O)CC[NH+](C)C ZINC001165794269 757337973 /nfs/dbraw/zinc/33/79/73/757337973.db2.gz PNWRARSNFFPRDR-UHFFFAOYSA-N 1 3 315.849 0.930 20 0 DCADHO COCC[C@@H](N)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001119354678 757580673 /nfs/dbraw/zinc/58/06/73/757580673.db2.gz GNYAWFDHUNEQBX-CQSZACIVSA-N 1 3 301.431 0.310 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084405151 757837783 /nfs/dbraw/zinc/83/77/83/757837783.db2.gz AMABGZGELCOJMO-BZUAXINKSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084405151 757837790 /nfs/dbraw/zinc/83/77/90/757837790.db2.gz AMABGZGELCOJMO-BZUAXINKSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753441 758025987 /nfs/dbraw/zinc/02/59/87/758025987.db2.gz NEMWEPMOAJEXPU-ZIAGYGMSSA-N 1 3 322.453 0.126 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753441 758025997 /nfs/dbraw/zinc/02/59/97/758025997.db2.gz NEMWEPMOAJEXPU-ZIAGYGMSSA-N 1 3 322.453 0.126 20 0 DCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001157715048 762598104 /nfs/dbraw/zinc/59/81/04/762598104.db2.gz AXPSLHZYFZAPCH-CVEARBPZSA-N 1 3 303.406 0.176 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3cncs3)C2)C1 ZINC001051932618 759046372 /nfs/dbraw/zinc/04/63/72/759046372.db2.gz UWEJMUKHGVYBIZ-OLZOCXBDSA-N 1 3 324.450 0.412 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCc3cncs3)C2)C1 ZINC001051932618 759046381 /nfs/dbraw/zinc/04/63/81/759046381.db2.gz UWEJMUKHGVYBIZ-OLZOCXBDSA-N 1 3 324.450 0.412 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCc2ccc3nonc3c2)C1 ZINC001147885880 767861948 /nfs/dbraw/zinc/86/19/48/767861948.db2.gz QAOVGQGIOYDVKH-ZDUSSCGKSA-N 1 3 317.393 0.770 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCc2ccc3nonc3c2)C1 ZINC001147885880 767861956 /nfs/dbraw/zinc/86/19/56/767861956.db2.gz QAOVGQGIOYDVKH-ZDUSSCGKSA-N 1 3 317.393 0.770 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900915 767879888 /nfs/dbraw/zinc/87/98/88/767879888.db2.gz ZAEFPNGCFVMDMT-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900915 767879894 /nfs/dbraw/zinc/87/98/94/767879894.db2.gz ZAEFPNGCFVMDMT-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1)C(N)=O ZINC001086084730 759694566 /nfs/dbraw/zinc/69/45/66/759694566.db2.gz CZCYUCHNPSUQRK-XGUBFFRZSA-N 1 3 324.469 0.608 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977701 767891180 /nfs/dbraw/zinc/89/11/80/767891180.db2.gz WKJMIZXCMHFVFU-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC(C)(C)CCNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977592 767891455 /nfs/dbraw/zinc/89/14/55/767891455.db2.gz SRDLVGFFXXAXTQ-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)N1CCCCC1 ZINC001147999828 767893322 /nfs/dbraw/zinc/89/33/22/767893322.db2.gz FHXYXHXSGSXTCG-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001086382516 760119460 /nfs/dbraw/zinc/11/94/60/760119460.db2.gz LGMSWBVOEMAHGW-ZQDZILKHSA-N 1 3 324.469 0.609 20 0 DCADHO [NH3+]Cc1cccc(-c2nnn(-c3ncnc4c3CNCC4)n2)c1 ZINC001168877038 760494034 /nfs/dbraw/zinc/49/40/34/760494034.db2.gz VEAAHENJEMDLLB-UHFFFAOYSA-N 1 3 308.349 0.224 20 0 DCADHO CCOCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148285117 767959162 /nfs/dbraw/zinc/95/91/62/767959162.db2.gz MWNVQUHXQRQSBG-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CCOCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148285117 767959167 /nfs/dbraw/zinc/95/91/67/767959167.db2.gz MWNVQUHXQRQSBG-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO CN1CCN(C)C2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001169133802 760590633 /nfs/dbraw/zinc/59/06/33/760590633.db2.gz LAGMMFFMDIGWNF-MUJYYYPQSA-N 1 3 320.481 0.850 20 0 DCADHO CN1CCN(C)C2(CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001169133802 760590637 /nfs/dbraw/zinc/59/06/37/760590637.db2.gz LAGMMFFMDIGWNF-MUJYYYPQSA-N 1 3 320.481 0.850 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001129332872 760698953 /nfs/dbraw/zinc/69/89/53/760698953.db2.gz CTLXQQAPCRRKMZ-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001129332872 760698958 /nfs/dbraw/zinc/69/89/58/760698958.db2.gz CTLXQQAPCRRKMZ-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(C(=O)CNCCNC(=O)CCCC[NH+](C)C)C1CC1 ZINC001148365788 767974701 /nfs/dbraw/zinc/97/47/01/767974701.db2.gz ZYBWDWCKWYKMCI-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCc2ccnn2C)C1 ZINC001129340659 760787703 /nfs/dbraw/zinc/78/77/03/760787703.db2.gz ORHCHQMUXHQNNY-AWEZNQCLSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCc2ccnn2C)C1 ZINC001129340659 760787713 /nfs/dbraw/zinc/78/77/13/760787713.db2.gz ORHCHQMUXHQNNY-AWEZNQCLSA-N 1 3 307.442 0.604 20 0 DCADHO COCCN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126009 760966853 /nfs/dbraw/zinc/96/68/53/760966853.db2.gz AAOQKXJGONTKKR-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001100126235 761050043 /nfs/dbraw/zinc/05/00/43/761050043.db2.gz DPAOWLHWMNFUIN-GJZGRUSLSA-N 1 3 315.433 0.773 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097278 761081249 /nfs/dbraw/zinc/08/12/49/761081249.db2.gz KYHFFAANYRMAJB-KFWWJZLASA-N 1 3 320.441 0.371 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097278 761081254 /nfs/dbraw/zinc/08/12/54/761081254.db2.gz KYHFFAANYRMAJB-KFWWJZLASA-N 1 3 320.441 0.371 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070275488 761160659 /nfs/dbraw/zinc/16/06/59/761160659.db2.gz OXYRSCBLQCYZRF-MCIONIFRSA-N 1 3 306.414 0.124 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086550297 761792557 /nfs/dbraw/zinc/79/25/57/761792557.db2.gz CMCXNJUOXURINA-MGPQQGTHSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086550297 761792564 /nfs/dbraw/zinc/79/25/64/761792564.db2.gz CMCXNJUOXURINA-MGPQQGTHSA-N 1 3 320.441 0.234 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086550870 761793738 /nfs/dbraw/zinc/79/37/38/761793738.db2.gz YYWSRRPPISMDMP-UMVBOHGHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086550870 761793744 /nfs/dbraw/zinc/79/37/44/761793744.db2.gz YYWSRRPPISMDMP-UMVBOHGHSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001086551481 761828491 /nfs/dbraw/zinc/82/84/91/761828491.db2.gz BULRFIGOTAXVGG-AJNGGQMLSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001086551481 761828495 /nfs/dbraw/zinc/82/84/95/761828495.db2.gz BULRFIGOTAXVGG-AJNGGQMLSA-N 1 3 317.437 0.974 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C2)CCC1 ZINC001099261944 762848273 /nfs/dbraw/zinc/84/82/73/762848273.db2.gz AMMAWHPBHQVZMA-GHMZBOCLSA-N 1 3 323.359 0.442 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099332691 762865187 /nfs/dbraw/zinc/86/51/87/762865187.db2.gz IKMBIJSBVALCNP-QJPTWQEYSA-N 1 3 323.359 0.299 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099332691 762865195 /nfs/dbraw/zinc/86/51/95/762865195.db2.gz IKMBIJSBVALCNP-QJPTWQEYSA-N 1 3 323.359 0.299 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449136 762938332 /nfs/dbraw/zinc/93/83/32/762938332.db2.gz IUYWTOZQGIIVJP-OAHLLOKOSA-N 1 3 312.458 0.337 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)N1CCCC1 ZINC001129854956 763024828 /nfs/dbraw/zinc/02/48/28/763024828.db2.gz AHLJKOWCZWBCCA-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)N1CCCC1 ZINC001129854956 763024832 /nfs/dbraw/zinc/02/48/32/763024832.db2.gz AHLJKOWCZWBCCA-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCCC[C@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129840585 763029805 /nfs/dbraw/zinc/02/98/05/763029805.db2.gz HZDDQSLATMQWJE-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129840585 763029810 /nfs/dbraw/zinc/02/98/10/763029810.db2.gz HZDDQSLATMQWJE-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)CC)N(C)C ZINC001130200056 763183806 /nfs/dbraw/zinc/18/38/06/763183806.db2.gz CFFDWRCXLFFUAD-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C)N(C)C ZINC001130200281 763183888 /nfs/dbraw/zinc/18/38/88/763183888.db2.gz HMSKCZIXCRRJNO-CHWSQXEVSA-N 1 3 300.447 0.193 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)N(CC)CC)N(C)C ZINC001130200619 763184615 /nfs/dbraw/zinc/18/46/15/763184615.db2.gz LQTKZJLBFZAOHA-QWHCGFSZSA-N 1 3 300.447 0.289 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130201096 763185141 /nfs/dbraw/zinc/18/51/41/763185141.db2.gz VEBDVOIZCTVBSY-TZMCWYRMSA-N 1 3 314.474 0.726 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001100041217 763248886 /nfs/dbraw/zinc/24/88/86/763248886.db2.gz GFDMLUSRWSALBR-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001100041217 763248891 /nfs/dbraw/zinc/24/88/91/763248891.db2.gz GFDMLUSRWSALBR-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1=O ZINC001130713268 763452909 /nfs/dbraw/zinc/45/29/09/763452909.db2.gz JCWRFOCUBIXTHF-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1=O ZINC001130713268 763452910 /nfs/dbraw/zinc/45/29/10/763452910.db2.gz JCWRFOCUBIXTHF-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCOC(=O)C1C[NH2+]CCC1=Nc1ncnc2c1CNCC2 ZINC001170513547 763493838 /nfs/dbraw/zinc/49/38/38/763493838.db2.gz ODEAHNJEQFGUGC-UHFFFAOYSA-N 1 3 303.366 0.345 20 0 DCADHO CC(C)(C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1)N1CCCC1 ZINC001091910314 768156922 /nfs/dbraw/zinc/15/69/22/768156922.db2.gz RMSRLJRKBASYIB-PBHICJAKSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1)N1CCCC1 ZINC001091910314 768156924 /nfs/dbraw/zinc/15/69/24/768156924.db2.gz RMSRLJRKBASYIB-PBHICJAKSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCn2cccn2)C1 ZINC001100675910 763715472 /nfs/dbraw/zinc/71/54/72/763715472.db2.gz CFCILIBHMYPWIB-FHERZECASA-N 1 3 319.453 0.852 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1 ZINC001100676739 763717063 /nfs/dbraw/zinc/71/70/63/763717063.db2.gz RQLNRMNXWINEHE-VQCLRJIVSA-N 1 3 319.453 0.889 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100677038 763717252 /nfs/dbraw/zinc/71/72/52/763717252.db2.gz WUPXZWUQVOAVBN-HSBZDZAISA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001100770988 763776546 /nfs/dbraw/zinc/77/65/46/763776546.db2.gz SXKVVXPKAITLDU-JXQTWKCFSA-N 1 3 310.442 0.043 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011149 768182005 /nfs/dbraw/zinc/18/20/05/768182005.db2.gz QRKSTDVKGRUAFX-UXLLHSPISA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011149 768182010 /nfs/dbraw/zinc/18/20/10/768182010.db2.gz QRKSTDVKGRUAFX-UXLLHSPISA-N 1 3 309.454 0.897 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131790537 764014349 /nfs/dbraw/zinc/01/43/49/764014349.db2.gz PALMPSDIACXPSM-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)C1 ZINC001092015003 768183473 /nfs/dbraw/zinc/18/34/73/768183473.db2.gz IEQWGXUCSLBXAE-PBHICJAKSA-N 1 3 309.454 0.491 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C)C2)C1 ZINC001092015003 768183475 /nfs/dbraw/zinc/18/34/75/768183475.db2.gz IEQWGXUCSLBXAE-PBHICJAKSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCn1cccn1 ZINC001132265382 764343791 /nfs/dbraw/zinc/34/37/91/764343791.db2.gz LYZKEGARIMXJTQ-HUUCEWRRSA-N 1 3 307.442 0.804 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132286041 764353418 /nfs/dbraw/zinc/35/34/18/764353418.db2.gz ABWXQWKDAGJOMU-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nccnc1CN1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320678 764596026 /nfs/dbraw/zinc/59/60/26/764596026.db2.gz NVFLHQTYXSYCLR-UKRRQHHQSA-N 1 3 319.453 0.921 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102525201 764679138 /nfs/dbraw/zinc/67/91/38/764679138.db2.gz POSTZOGDMJRMDW-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102525201 764679147 /nfs/dbraw/zinc/67/91/47/764679147.db2.gz POSTZOGDMJRMDW-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO COCCC[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531722 764682609 /nfs/dbraw/zinc/68/26/09/764682609.db2.gz BPIWWWHKZTYUBT-TZMCWYRMSA-N 1 3 308.426 0.981 20 0 DCADHO COCCC[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102531722 764682620 /nfs/dbraw/zinc/68/26/20/764682620.db2.gz BPIWWWHKZTYUBT-TZMCWYRMSA-N 1 3 308.426 0.981 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102601947 764719939 /nfs/dbraw/zinc/71/99/39/764719939.db2.gz WXNVZGGXFVXEBW-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1C ZINC001102601947 764719942 /nfs/dbraw/zinc/71/99/42/764719942.db2.gz WXNVZGGXFVXEBW-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CN(Cc1ccco1)C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051795 764803191 /nfs/dbraw/zinc/80/31/91/764803191.db2.gz PBRCHEWWZNSPRB-UHFFFAOYSA-N 1 3 324.425 0.286 20 0 DCADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133122950 764836932 /nfs/dbraw/zinc/83/69/32/764836932.db2.gz WLSXIAFXHQZBEI-KGLIPLIRSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133285748 764906137 /nfs/dbraw/zinc/90/61/37/764906137.db2.gz GWZGKTHMKIJYOP-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001103550133 765079789 /nfs/dbraw/zinc/07/97/89/765079789.db2.gz AHAREBQLJHKTTQ-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001103550133 765079795 /nfs/dbraw/zinc/07/97/95/765079795.db2.gz AHAREBQLJHKTTQ-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)[NH+](CC)CC ZINC001133690497 765095432 /nfs/dbraw/zinc/09/54/32/765095432.db2.gz NBNVGZHTHOVKKZ-CHWSQXEVSA-N 1 3 300.447 0.289 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H](CC)[NH+](CC)CC)C(N)=O ZINC001133689966 765095459 /nfs/dbraw/zinc/09/54/59/765095459.db2.gz FRHRNUXMXRNIBB-KGLIPLIRSA-N 1 3 314.474 0.857 20 0 DCADHO CC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC1CC1)[NH+](CC)CC ZINC001133690458 765095864 /nfs/dbraw/zinc/09/58/64/765095864.db2.gz MDZUDFJBEQRYPF-OCCSQVGLSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086711800 765126300 /nfs/dbraw/zinc/12/63/00/765126300.db2.gz BUAWHPSIDVETBV-MJBXVCDLSA-N 1 3 310.442 0.221 20 0 DCADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133823492 765152514 /nfs/dbraw/zinc/15/25/14/765152514.db2.gz HOTIUQBCOVMCOK-ZDUSSCGKSA-N 1 3 319.471 0.001 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133833591 765162441 /nfs/dbraw/zinc/16/24/41/765162441.db2.gz ABGDNVKCSYNYPM-LSDHHAIUSA-N 1 3 315.458 0.210 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133831880 765162641 /nfs/dbraw/zinc/16/26/41/765162641.db2.gz VWGQXROSSQHGDU-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133831880 765162643 /nfs/dbraw/zinc/16/26/43/765162643.db2.gz VWGQXROSSQHGDU-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC001133834206 765165928 /nfs/dbraw/zinc/16/59/28/765165928.db2.gz QPPIDIBGYYCRFO-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C)C1CC1 ZINC001133834206 765165934 /nfs/dbraw/zinc/16/59/34/765165934.db2.gz QPPIDIBGYYCRFO-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001133824026 765168338 /nfs/dbraw/zinc/16/83/38/765168338.db2.gz WCVJCYVPIOWXFE-GFCCVEGCSA-N 1 3 313.833 0.727 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849952 765182338 /nfs/dbraw/zinc/18/23/38/765182338.db2.gz IBVCOWFOTIXLSG-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849952 765182339 /nfs/dbraw/zinc/18/23/39/765182339.db2.gz IBVCOWFOTIXLSG-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133869891 765197165 /nfs/dbraw/zinc/19/71/65/765197165.db2.gz NHMBPITXQWRDMS-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133869891 765197174 /nfs/dbraw/zinc/19/71/74/765197174.db2.gz NHMBPITXQWRDMS-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](COCC(=O)NCCNC/C=C\Cl)[NH+]1CCCC1 ZINC001134020511 765289899 /nfs/dbraw/zinc/28/98/99/765289899.db2.gz CQGGWGTXHISQCV-DSYXLKISSA-N 1 3 303.834 0.946 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001134583816 765581290 /nfs/dbraw/zinc/58/12/90/765581290.db2.gz OSXHPZZQUNFXPP-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC ZINC001134774061 765667169 /nfs/dbraw/zinc/66/71/69/765667169.db2.gz UMOOYWXORMLQQJ-RYUDHWBXSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)N1CCCCCC1 ZINC001124866683 768317855 /nfs/dbraw/zinc/31/78/55/768317855.db2.gz IWPJKUHAYUYMFQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC)C(C)C ZINC001135474122 765940036 /nfs/dbraw/zinc/94/00/36/765940036.db2.gz HPSCGBIFWMEKHN-CHWSQXEVSA-N 1 3 300.447 0.193 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135468975 765942045 /nfs/dbraw/zinc/94/20/45/765942045.db2.gz VMVQGLLEAIQKCQ-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC001135511357 765964753 /nfs/dbraw/zinc/96/47/53/765964753.db2.gz OGNGMJPKARWILT-MRXNPFEDSA-N 1 3 307.438 0.638 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)c1ccccc1F ZINC001135513790 765967410 /nfs/dbraw/zinc/96/74/10/765967410.db2.gz YREABMUWIKFTCI-HNNXBMFYSA-N 1 3 311.401 0.907 20 0 DCADHO O=S(=O)(CC1C[NH2+]C1)NC[C@@H]1CCN1C1CCCCCC1 ZINC001580863243 1165743552 /nfs/dbraw/zinc/74/35/52/1165743552.db2.gz MBCYCNYIOVSBEA-HNNXBMFYSA-N 1 3 315.483 0.922 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)CCC1 ZINC001159854255 766285902 /nfs/dbraw/zinc/28/59/02/766285902.db2.gz OBGKFPGVDGGSPJ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001160003461 766346743 /nfs/dbraw/zinc/34/67/43/766346743.db2.gz PSWVTHVDQVKRTO-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001119296879 766628841 /nfs/dbraw/zinc/62/88/41/766628841.db2.gz HALKBZYBOWQQRD-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCC[C@H](C)C1 ZINC001119427066 766675562 /nfs/dbraw/zinc/67/55/62/766675562.db2.gz DHEHGBSWPSPKLJ-XDQVBPFNSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001120189080 766927578 /nfs/dbraw/zinc/92/75/78/766927578.db2.gz GTUVQWANGCEQFT-OKILXGFUSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640559 766965920 /nfs/dbraw/zinc/96/59/20/766965920.db2.gz HNAZQFKMFPSTQM-OLZOCXBDSA-N 1 3 312.414 0.145 20 0 DCADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001120514568 767053384 /nfs/dbraw/zinc/05/33/84/767053384.db2.gz WFEYYJBHRLLFKY-UONOGXRCSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001171235052 767084555 /nfs/dbraw/zinc/08/45/55/767084555.db2.gz CWHFMIMJAUETLG-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CCOC(=O)[C@]12CN(C(=O)[C@H](N)C(C)(C)C)C[C@H]1C[NH2+]CC2 ZINC001160811553 767341560 /nfs/dbraw/zinc/34/15/60/767341560.db2.gz QDVFAEUZSBANFJ-BFQNTYOBSA-N 1 3 311.426 0.361 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001146591098 767484250 /nfs/dbraw/zinc/48/42/50/767484250.db2.gz FWICJUHZILSWAX-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO COCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146592318 767485569 /nfs/dbraw/zinc/48/55/69/767485569.db2.gz JKXSCTKZGMUYFN-LSDHHAIUSA-N 1 3 317.474 0.863 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCC(C)C ZINC001146711403 767509305 /nfs/dbraw/zinc/50/93/05/767509305.db2.gz RGISUCDDMGSPHB-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCC(C)C ZINC001146711403 767509310 /nfs/dbraw/zinc/50/93/10/767509310.db2.gz RGISUCDDMGSPHB-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)O)C2)N(C)C ZINC001121727373 767628414 /nfs/dbraw/zinc/62/84/14/767628414.db2.gz AELQFWNVCAYCSB-BSTUBKLYSA-N 1 3 311.470 0.970 20 0 DCADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)N(C)C)C2 ZINC001121935094 767672910 /nfs/dbraw/zinc/67/29/10/767672910.db2.gz GXMIFPFEEVBHOP-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001147358957 767724701 /nfs/dbraw/zinc/72/47/01/767724701.db2.gz KBQARBRMFHGGLB-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001147358957 767724706 /nfs/dbraw/zinc/72/47/06/767724706.db2.gz KBQARBRMFHGGLB-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO COc1nccc(CNCCCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001171303701 767743683 /nfs/dbraw/zinc/74/36/83/767743683.db2.gz XGCZRSQOYBHTQB-UHFFFAOYSA-N 1 3 319.409 0.177 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122242756 767748970 /nfs/dbraw/zinc/74/89/70/767748970.db2.gz NOFLMPRBWMATSW-VZHDMLGISA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cncn1C ZINC001093673742 768687536 /nfs/dbraw/zinc/68/75/36/768687536.db2.gz VXYFIIUKHVEEHM-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@H]1C[N@H+](CC2CC2)CCCO1)C1CC1 ZINC001149847338 768880379 /nfs/dbraw/zinc/88/03/79/768880379.db2.gz DAMWOSGQPUMRFI-HOTGVXAUSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)[C@H](C(=O)NC[C@H]1C[N@@H+](CC2CC2)CCCO1)C1CC1 ZINC001149847338 768880390 /nfs/dbraw/zinc/88/03/90/768880390.db2.gz DAMWOSGQPUMRFI-HOTGVXAUSA-N 1 3 309.454 0.944 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+]([C@@H](C)COC)CCCO1 ZINC001150469567 769105562 /nfs/dbraw/zinc/10/55/62/769105562.db2.gz HPKGDQOHLIBXAT-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+]([C@@H](C)COC)CCCO1 ZINC001150469567 769105567 /nfs/dbraw/zinc/10/55/67/769105567.db2.gz HPKGDQOHLIBXAT-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCCNCc1cncc(OC)n1 ZINC001171731544 769360146 /nfs/dbraw/zinc/36/01/46/769360146.db2.gz IOAVOXISLHUWLQ-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1cncc(OC)n1 ZINC001171731544 769360156 /nfs/dbraw/zinc/36/01/56/769360156.db2.gz IOAVOXISLHUWLQ-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc2nncn2c1 ZINC001151678810 769393816 /nfs/dbraw/zinc/39/38/16/769393816.db2.gz OFMFRIVSZMHDNU-UHFFFAOYSA-N 1 3 303.370 0.407 20 0 DCADHO C[NH+](C)CCCN1CCN([C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172018846 769415614 /nfs/dbraw/zinc/41/56/14/769415614.db2.gz XOCPEMJCUCPBBB-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC001152433258 769555855 /nfs/dbraw/zinc/55/58/55/769555855.db2.gz ZTFPNXWWGMEYTC-HNNXBMFYSA-N 1 3 323.437 0.472 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001152451702 769562591 /nfs/dbraw/zinc/56/25/91/769562591.db2.gz DRENZXJDAPCLKY-OAHLLOKOSA-N 1 3 322.457 0.475 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001152473038 769571198 /nfs/dbraw/zinc/57/11/98/769571198.db2.gz UWPBVUMJDOWWNW-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+]1CC[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001173364735 769608939 /nfs/dbraw/zinc/60/89/39/769608939.db2.gz SYPRNFWGLZXTOH-ZDUSSCGKSA-N 1 3 315.421 0.808 20 0 DCADHO CC[N@H+]1CC[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C1 ZINC001173364735 769608946 /nfs/dbraw/zinc/60/89/46/769608946.db2.gz SYPRNFWGLZXTOH-ZDUSSCGKSA-N 1 3 315.421 0.808 20 0 DCADHO CN(C)CC[NH+](CCN(C)C)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173761268 769714321 /nfs/dbraw/zinc/71/43/21/769714321.db2.gz SKIBTSJDAVFUSW-GJZGRUSLSA-N 1 3 309.462 0.582 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001174683148 769778473 /nfs/dbraw/zinc/77/84/73/769778473.db2.gz OWCOVWVTVXQCSL-UHFFFAOYSA-N 1 3 304.398 0.333 20 0 DCADHO C[C@@H](NCCNC(=O)CCCC[NH+]1CCCC1)C(=O)N(C)C ZINC001153314057 769780828 /nfs/dbraw/zinc/78/08/28/769780828.db2.gz CCXQFRWSSJPPMH-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854559 769963218 /nfs/dbraw/zinc/96/32/18/769963218.db2.gz IPDGDCOXVHRJQX-HIFRSBDPSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001153854559 769963224 /nfs/dbraw/zinc/96/32/24/769963224.db2.gz IPDGDCOXVHRJQX-HIFRSBDPSA-N 1 3 315.458 0.305 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001176072406 770012387 /nfs/dbraw/zinc/01/23/87/770012387.db2.gz SFVCLJBACKMONZ-ZDUSSCGKSA-N 1 3 306.410 0.638 20 0 DCADHO COc1ccnc(CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001176072406 770012398 /nfs/dbraw/zinc/01/23/98/770012398.db2.gz SFVCLJBACKMONZ-ZDUSSCGKSA-N 1 3 306.410 0.638 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](O)COC ZINC001176284746 770061626 /nfs/dbraw/zinc/06/16/26/770061626.db2.gz JSHPDIVDHGUXNA-GJZGRUSLSA-N 1 3 317.474 0.600 20 0 DCADHO NCCS(=O)(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001239077265 770176018 /nfs/dbraw/zinc/17/60/18/770176018.db2.gz ZLCLBERQAUJQQD-UHFFFAOYSA-N 1 3 301.456 0.615 20 0 DCADHO NCCS(=O)(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001239077265 770176038 /nfs/dbraw/zinc/17/60/38/770176038.db2.gz ZLCLBERQAUJQQD-UHFFFAOYSA-N 1 3 301.456 0.615 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)nn1 ZINC001176980390 770267571 /nfs/dbraw/zinc/26/75/71/770267571.db2.gz FREWBVYIQPDEKK-UHFFFAOYSA-N 1 3 309.414 0.421 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001176986231 770271356 /nfs/dbraw/zinc/27/13/56/770271356.db2.gz ILIMEVKCIPBWSQ-CYBMUJFWSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986768 770273598 /nfs/dbraw/zinc/27/35/98/770273598.db2.gz VNYOLVCAVONQBP-ZIAGYGMSSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986766 770274623 /nfs/dbraw/zinc/27/46/23/770274623.db2.gz VNYOLVCAVONQBP-KGLIPLIRSA-N 1 3 314.474 0.726 20 0 DCADHO COc1cncc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)n1 ZINC001155812903 770628221 /nfs/dbraw/zinc/62/82/21/770628221.db2.gz PINRMNLDFFIPLO-CYBMUJFWSA-N 1 3 307.398 0.175 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCOCCO ZINC001155900126 770652651 /nfs/dbraw/zinc/65/26/51/770652651.db2.gz ARHCINKKJKBSHT-CQSZACIVSA-N 1 3 303.447 0.164 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCOCCO ZINC001155900126 770652657 /nfs/dbraw/zinc/65/26/57/770652657.db2.gz ARHCINKKJKBSHT-CQSZACIVSA-N 1 3 303.447 0.164 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409436 771006835 /nfs/dbraw/zinc/00/68/35/771006835.db2.gz LMDACQNIERFFJR-YTFOTSKYSA-N 1 3 324.469 0.430 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409436 771006844 /nfs/dbraw/zinc/00/68/44/771006844.db2.gz LMDACQNIERFFJR-YTFOTSKYSA-N 1 3 324.469 0.430 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)COCC[NH+](C)C ZINC001179929822 771035496 /nfs/dbraw/zinc/03/54/96/771035496.db2.gz WRPCZZMKOHBESM-ZFWWWQNUSA-N 1 3 323.441 0.077 20 0 DCADHO CC[C@H]([NH2+]CCCCCCNC(=O)CN(C)C(C)C)C(N)=O ZINC001180369759 771114014 /nfs/dbraw/zinc/11/40/14/771114014.db2.gz WBJYXVLPEORQFZ-AWEZNQCLSA-N 1 3 314.474 0.857 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369618 771114284 /nfs/dbraw/zinc/11/42/84/771114284.db2.gz OCDONMGKQXOABA-CQSZACIVSA-N 1 3 314.474 0.727 20 0 DCADHO CCC(CC)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181674194 771330018 /nfs/dbraw/zinc/33/00/18/771330018.db2.gz LWDNXKGOENVIGZ-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755295 771343942 /nfs/dbraw/zinc/34/39/42/771343942.db2.gz MNMBDURATCVZKM-SRCQZFHVSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181735785 771345888 /nfs/dbraw/zinc/34/58/88/771345888.db2.gz BFEUXHFIBVOFJW-CKEIUWERSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCO)C1 ZINC001182615375 771523746 /nfs/dbraw/zinc/52/37/46/771523746.db2.gz XSLZQQNYXQDROF-HLLBOEOZSA-N 1 3 311.470 0.927 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1)C1CC1 ZINC001183266923 771630774 /nfs/dbraw/zinc/63/07/74/771630774.db2.gz IBSNIPHQSKEWHU-TZMCWYRMSA-N 1 3 319.396 0.799 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157739785 771661670 /nfs/dbraw/zinc/66/16/70/771661670.db2.gz JOTVPIGFPKUOIH-SWLSCSKDSA-N 1 3 316.421 0.156 20 0 DCADHO C[C@@]1(CO)CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157900461 771689324 /nfs/dbraw/zinc/68/93/24/771689324.db2.gz JRISKKSFWSUQGV-GDBMZVCRSA-N 1 3 309.454 0.872 20 0 DCADHO C[C@@]1(CO)CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157900461 771689327 /nfs/dbraw/zinc/68/93/27/771689327.db2.gz JRISKKSFWSUQGV-GDBMZVCRSA-N 1 3 309.454 0.872 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001157902488 771689938 /nfs/dbraw/zinc/68/99/38/771689938.db2.gz BOSFDFRCPCMBCM-OUAUKWLOSA-N 1 3 311.348 0.605 20 0 DCADHO CC(C)(C(=O)NCCC[NH2+][C@H]1CCCNC1=O)N1CCCCC1 ZINC001158074306 771722120 /nfs/dbraw/zinc/72/21/20/771722120.db2.gz ZFDGXDICBSUGFL-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198496 771739814 /nfs/dbraw/zinc/73/98/14/771739814.db2.gz FRUIWQFAAAESLQ-HRCADAONSA-N 1 3 303.406 0.883 20 0 DCADHO CO[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)C1 ZINC001158334974 771760936 /nfs/dbraw/zinc/76/09/36/771760936.db2.gz KBAUQDTWIRWPHU-BSWAZPDLSA-N 1 3 315.417 0.851 20 0 DCADHO CN1CCN(c2cncc(N3CC[NH2+]CC3)n2)C2(CCCC2)C1 ZINC001158410001 771770123 /nfs/dbraw/zinc/77/01/23/771770123.db2.gz JMMMDGKDHJANPI-UHFFFAOYSA-N 1 3 316.453 0.951 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628262 771807769 /nfs/dbraw/zinc/80/77/69/771807769.db2.gz GXRGHKBSZDMIFJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628825 771808601 /nfs/dbraw/zinc/80/86/01/771808601.db2.gz RAASWEGGUPWSCA-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@]1(C)CC[NH2+]C1)CC2 ZINC001158890852 771831655 /nfs/dbraw/zinc/83/16/55/771831655.db2.gz OSEJCFRLCHJEIZ-MRXNPFEDSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184857855 771838507 /nfs/dbraw/zinc/83/85/07/771838507.db2.gz AGXHTOMNFHKISU-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001184859186 771838601 /nfs/dbraw/zinc/83/86/01/771838601.db2.gz XMIFEYBHNOARDL-JHJVBQTASA-N 1 3 317.380 0.695 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(N)=O ZINC001184867857 771839643 /nfs/dbraw/zinc/83/96/43/771839643.db2.gz MQQAUFALZMHPEV-HZSPNIEDSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229759 771882504 /nfs/dbraw/zinc/88/25/04/771882504.db2.gz HADOREHERHSVNE-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185446943 771921476 /nfs/dbraw/zinc/92/14/76/771921476.db2.gz VWBDQCWXQVVZRI-HUUCEWRRSA-N 1 3 315.458 0.426 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854284 771968576 /nfs/dbraw/zinc/96/85/76/771968576.db2.gz OLMGOKQBOJULBF-UHFFFAOYSA-N 1 3 308.430 0.378 20 0 DCADHO COc1nccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)n1 ZINC001159917447 771977543 /nfs/dbraw/zinc/97/75/43/771977543.db2.gz WNEYZJFIUYDLDI-AWEZNQCLSA-N 1 3 321.425 0.421 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001186453128 772041980 /nfs/dbraw/zinc/04/19/80/772041980.db2.gz YCVMQAIAMFWIBS-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO O=C(N1CC(Oc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160500586 772051299 /nfs/dbraw/zinc/05/12/99/772051299.db2.gz VALJXYSHNAFBQY-CXAGYDPISA-N 1 3 301.390 0.475 20 0 DCADHO [NH3+]C[C@]1(Nc2nc(Cl)nc3c2CCNC3)CN2CCC1CC2 ZINC001160509805 772052941 /nfs/dbraw/zinc/05/29/41/772052941.db2.gz AJTCPXHGXUDHBW-HNNXBMFYSA-N 1 3 322.844 0.611 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CCC2)C1 ZINC001186808327 772088797 /nfs/dbraw/zinc/08/87/97/772088797.db2.gz MNOWSPAKPMAXIE-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC2CCC2)C1 ZINC001186808327 772088802 /nfs/dbraw/zinc/08/88/02/772088802.db2.gz MNOWSPAKPMAXIE-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCc1noc([C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)n1 ZINC001160741183 772104538 /nfs/dbraw/zinc/10/45/38/772104538.db2.gz GPKJGNYTLXLJRN-RYUDHWBXSA-N 1 3 319.409 0.147 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001160889528 772132851 /nfs/dbraw/zinc/13/28/51/772132851.db2.gz MCESCNMLGKROET-CHWSQXEVSA-N 1 3 308.430 0.202 20 0 DCADHO CSc1ncc2c(n1)CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001160941702 772140678 /nfs/dbraw/zinc/14/06/78/772140678.db2.gz OWEAAPGXQMVADS-NSHDSACASA-N 1 3 309.439 0.540 20 0 DCADHO [NH3+]CCN(CCNc1ncccc1CN1CCCC1)N(O)N=O ZINC001161096024 772168595 /nfs/dbraw/zinc/16/85/95/772168595.db2.gz VBXRAVIGOKILAA-UHFFFAOYSA-N 1 3 323.401 0.638 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])C(=O)C1(N)Cc2ccccc2C1 ZINC001161157540 772177985 /nfs/dbraw/zinc/17/79/85/772177985.db2.gz FQRLGFIPPQBXFN-UHFFFAOYSA-N 1 3 319.405 0.223 20 0 DCADHO CN(CCN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2)Cc1ccccc1 ZINC001161161119 772179188 /nfs/dbraw/zinc/17/91/88/772179188.db2.gz NPKGTAWIOJDGRR-WMZOPIPTSA-N 1 3 317.433 0.813 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161233376 772187900 /nfs/dbraw/zinc/18/79/00/772187900.db2.gz UJMFZRYRYUEMIA-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161235485 772188037 /nfs/dbraw/zinc/18/80/37/772188037.db2.gz SOVWQUFPSCNDAN-GJZGRUSLSA-N 1 3 322.457 0.937 20 0 DCADHO [NH3+]C1CCN([C@H]2CCN(C(=O)C[C@H]3CNCC3(F)F)C2)CC1 ZINC001161378729 772213394 /nfs/dbraw/zinc/21/33/94/772213394.db2.gz MHYGPSPHXVKHSK-AAEUAGOBSA-N 1 3 316.396 0.255 20 0 DCADHO COc1cc(O[C@@H]2CCN(C(=O)[C@H](N)CCC[NH3+])C2)ccn1 ZINC001161394498 772216613 /nfs/dbraw/zinc/21/66/13/772216613.db2.gz NCHZGIUPNSUWTL-CHWSQXEVSA-N 1 3 308.382 0.136 20 0 DCADHO CN(C)CCN(C(=O)[C@]1(C)CC(F)(F)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161444053 772224429 /nfs/dbraw/zinc/22/44/29/772224429.db2.gz AYRXWCLYESNDNM-OCCSQVGLSA-N 1 3 318.412 0.516 20 0 DCADHO c1nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)nc2c1CNCC2 ZINC001161463477 772227500 /nfs/dbraw/zinc/22/75/00/772227500.db2.gz DJXHHKIJTALYHI-AWEZNQCLSA-N 1 3 302.426 0.361 20 0 DCADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC[C@H]21 ZINC001161480902 772231464 /nfs/dbraw/zinc/23/14/64/772231464.db2.gz BRSNSAFUEHAEDN-QLFBSQMISA-N 1 3 324.469 0.515 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161488749 772232858 /nfs/dbraw/zinc/23/28/58/772232858.db2.gz GAFIKFXPRPSLSM-LRDDRELGSA-N 1 3 313.442 0.894 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001187921319 772248808 /nfs/dbraw/zinc/24/88/08/772248808.db2.gz FPXDKCBAWIKBAY-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)N1CCC1 ZINC001188106606 772267093 /nfs/dbraw/zinc/26/70/93/772267093.db2.gz OIYNOJNXIPHZHJ-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001188118348 772268959 /nfs/dbraw/zinc/26/89/59/772268959.db2.gz VHXULYUDYFVYPW-CQSZACIVSA-N 1 3 318.421 0.298 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346195 772290575 /nfs/dbraw/zinc/29/05/75/772290575.db2.gz FEWKRCLZQWEXCC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(NCCC[NH2+]C/C=C\Cl)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872392 772427220 /nfs/dbraw/zinc/42/72/20/772427220.db2.gz QHZQSYFJRSOMLX-FGOWYDFFSA-N 1 3 313.829 0.698 20 0 DCADHO COCCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389365 772462747 /nfs/dbraw/zinc/46/27/47/772462747.db2.gz JMRIUPRTOOAKEM-LSDHHAIUSA-N 1 3 313.442 0.276 20 0 DCADHO COCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001189389365 772462750 /nfs/dbraw/zinc/46/27/50/772462750.db2.gz JMRIUPRTOOAKEM-LSDHHAIUSA-N 1 3 313.442 0.276 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645361 772656791 /nfs/dbraw/zinc/65/67/91/772656791.db2.gz SIPPCPJMDRJJQB-UONOGXRCSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645361 772656794 /nfs/dbraw/zinc/65/67/94/772656794.db2.gz SIPPCPJMDRJJQB-UONOGXRCSA-N 1 3 313.442 0.011 20 0 DCADHO CC[NH2+]CC1(CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001166250262 772796045 /nfs/dbraw/zinc/79/60/45/772796045.db2.gz PELODPBJCLGJCB-UUCFBXCCSA-N 1 3 307.438 0.746 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667478 772836517 /nfs/dbraw/zinc/83/65/17/772836517.db2.gz BTKDIVKUCLAODS-CYBMUJFWSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001166677591 772838157 /nfs/dbraw/zinc/83/81/57/772838157.db2.gz KMFGTKKBVAKORN-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ncn1 ZINC001166690472 772840859 /nfs/dbraw/zinc/84/08/59/772840859.db2.gz BFGCGBMKYBABTB-WFASDCNBSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ncn1 ZINC001166690472 772840863 /nfs/dbraw/zinc/84/08/63/772840863.db2.gz BFGCGBMKYBABTB-WFASDCNBSA-N 1 3 305.426 0.579 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744044 772855149 /nfs/dbraw/zinc/85/51/49/772855149.db2.gz FFSYRZLJEWBIST-UHFFFAOYSA-N 1 3 317.474 0.723 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764949 772857466 /nfs/dbraw/zinc/85/74/66/772857466.db2.gz PCGGUYRKQGBJKL-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO NCc1cc(N2c3ccccc3C(=O)NC23CC[NH2+]CC3)ncn1 ZINC001166807883 772862524 /nfs/dbraw/zinc/86/25/24/772862524.db2.gz RBNLLPJCHLJWDN-UHFFFAOYSA-N 1 3 324.388 0.897 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCC(C)C)N(C)C ZINC001166851546 772870950 /nfs/dbraw/zinc/87/09/50/772870950.db2.gz CPAAGURNBGBACD-KGLIPLIRSA-N 1 3 314.474 0.583 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705122 772920210 /nfs/dbraw/zinc/92/02/10/772920210.db2.gz LZVPXWXRLPDJCR-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193102617 773006009 /nfs/dbraw/zinc/00/60/09/773006009.db2.gz LDZSOZHHNVAGGO-YAYUBMGZSA-N 1 3 309.454 0.844 20 0 DCADHO CC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193102617 773006013 /nfs/dbraw/zinc/00/60/13/773006013.db2.gz LDZSOZHHNVAGGO-YAYUBMGZSA-N 1 3 309.454 0.844 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCOCCOC)C1 ZINC001193289924 773039980 /nfs/dbraw/zinc/03/99/80/773039980.db2.gz BUWVLHSIXXUUAX-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCOCCOC)C1 ZINC001193289924 773039982 /nfs/dbraw/zinc/03/99/82/773039982.db2.gz BUWVLHSIXXUUAX-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001193447171 773061168 /nfs/dbraw/zinc/06/11/68/773061168.db2.gz LOZFKSJBILONED-RRFJBIMHSA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001193447171 773061169 /nfs/dbraw/zinc/06/11/69/773061169.db2.gz LOZFKSJBILONED-RRFJBIMHSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NC(C)(C)C ZINC001152138173 773252989 /nfs/dbraw/zinc/25/29/89/773252989.db2.gz UAKNTRGQNMKGFO-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453170 773466092 /nfs/dbraw/zinc/46/60/92/773466092.db2.gz BLHUWUBDOYAHNW-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453170 773466094 /nfs/dbraw/zinc/46/60/94/773466094.db2.gz BLHUWUBDOYAHNW-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491376 773477822 /nfs/dbraw/zinc/47/78/22/773477822.db2.gz HMORJABZFKNHAL-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209276622 773580756 /nfs/dbraw/zinc/58/07/56/773580756.db2.gz ADUHAJURAILVRU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313640 773589762 /nfs/dbraw/zinc/58/97/62/773589762.db2.gz FTBUBVCQVKAZMF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408018 773601408 /nfs/dbraw/zinc/60/14/08/773601408.db2.gz IGYXJTRITYYZKR-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001209416949 773602543 /nfs/dbraw/zinc/60/25/43/773602543.db2.gz VCTSSGJZAPTUJC-CVEARBPZSA-N 1 3 322.497 0.813 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001209408687 773602682 /nfs/dbraw/zinc/60/26/82/773602682.db2.gz VPLSECZPSPYYIR-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631909 773627139 /nfs/dbraw/zinc/62/71/39/773627139.db2.gz IHHJVICKWUQPRC-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209659313 773631849 /nfs/dbraw/zinc/63/18/49/773631849.db2.gz BMFMPXMPUIBALP-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N(C)C ZINC001210685063 773729922 /nfs/dbraw/zinc/72/99/22/773729922.db2.gz MCULDCGVWXIRNX-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001210811368 773741479 /nfs/dbraw/zinc/74/14/79/773741479.db2.gz MYDAWJVDANIVIR-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001210810672 773741867 /nfs/dbraw/zinc/74/18/67/773741867.db2.gz CIKMCPSXLFATQY-CQSZACIVSA-N 1 3 308.430 0.201 20 0 DCADHO Cc1cc(C(=O)N(CCCC[NH3+])C(=N)N)nn1-c1ccncc1 ZINC001197542989 773764309 /nfs/dbraw/zinc/76/43/09/773764309.db2.gz HUDXYMWADWOJPI-UHFFFAOYSA-N 1 3 315.381 0.650 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001211269264 773787677 /nfs/dbraw/zinc/78/76/77/773787677.db2.gz OEENHTCTZOEPCX-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955957 773828554 /nfs/dbraw/zinc/82/85/54/773828554.db2.gz RRBIQFPHVFKEEU-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861301 774019080 /nfs/dbraw/zinc/01/90/80/774019080.db2.gz PMRNCBGXYONPDN-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(=O)N(C)C ZINC001214861568 774019418 /nfs/dbraw/zinc/01/94/18/774019418.db2.gz XSGZTJJJLYLXHI-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904796 774024586 /nfs/dbraw/zinc/02/45/86/774024586.db2.gz KFFCOPJMDVVHTI-NFAWXSAZSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001215422150 774072042 /nfs/dbraw/zinc/07/20/42/774072042.db2.gz ZQTHHCYUFREOGB-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001215460967 774074495 /nfs/dbraw/zinc/07/44/95/774074495.db2.gz LKZJCEWDGXTYSC-DGCLKSJQSA-N 1 3 320.441 0.570 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001215993803 774097346 /nfs/dbraw/zinc/09/73/46/774097346.db2.gz DWLGUTUQGSMDHW-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001215999107 774098110 /nfs/dbraw/zinc/09/81/10/774098110.db2.gz PPPSOEHHYUKFDX-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001215999287 774098565 /nfs/dbraw/zinc/09/85/65/774098565.db2.gz YOGXEZSJGCSDFD-HUUCEWRRSA-N 1 3 315.458 0.428 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1 ZINC001216216912 774108919 /nfs/dbraw/zinc/10/89/19/774108919.db2.gz FJKDVFJODAREPB-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1 ZINC001216216912 774108922 /nfs/dbraw/zinc/10/89/22/774108922.db2.gz FJKDVFJODAREPB-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216216782 774109153 /nfs/dbraw/zinc/10/91/53/774109153.db2.gz ABOSQIIDXQWKSL-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216216782 774109155 /nfs/dbraw/zinc/10/91/55/774109155.db2.gz ABOSQIIDXQWKSL-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788471 774199466 /nfs/dbraw/zinc/19/94/66/774199466.db2.gz QZLHZOCWAINSBJ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2CCC23C[NH2+]C3)c1 ZINC001218244387 774219251 /nfs/dbraw/zinc/21/92/51/774219251.db2.gz PBFRTVXLQGZNDR-SWLSCSKDSA-N 1 3 319.405 0.481 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001218476922 774227471 /nfs/dbraw/zinc/22/74/71/774227471.db2.gz AUJMGHIJYXDRHI-RMRHIDDWSA-N 1 3 319.405 0.622 20 0 DCADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1nc(-c2ccncc2)n[n-]1 ZINC001218522949 774235990 /nfs/dbraw/zinc/23/59/90/774235990.db2.gz OXIBMXMGRCHHTC-NSHDSACASA-N 1 3 303.370 0.522 20 0 DCADHO O=C(Nc1ncc(C(F)(F)F)cn1)[C@H]1C[NH2+]CC12CNC2 ZINC001218530846 774238860 /nfs/dbraw/zinc/23/88/60/774238860.db2.gz WHVLWLQRSWJBPS-MRVPVSSYSA-N 1 3 301.272 0.243 20 0 DCADHO COC(=O)c1onc(C)c1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218636444 774269486 /nfs/dbraw/zinc/26/94/86/774269486.db2.gz UPIMVPMZJQQUSU-JTQLQIEISA-N 1 3 312.370 0.767 20 0 DCADHO C[C@@H]1CCc2sc(NC(=O)[C@@H](N)CCC[NH3+])c(C(N)=O)c2C1 ZINC001218706807 774285156 /nfs/dbraw/zinc/28/51/56/774285156.db2.gz AWMHUNSBUIBORD-SCZZXKLOSA-N 1 3 324.450 0.977 20 0 DCADHO CCOc1cc(NC(=O)[C@@H](N)CCCC[NH3+])cc(C(=O)OC)n1 ZINC001218716907 774287862 /nfs/dbraw/zinc/28/78/62/774287862.db2.gz IUTRMJBQZQKEDT-NSHDSACASA-N 1 3 324.381 0.662 20 0 DCADHO CCc1cc2ncc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cn2n1 ZINC001218733696 774291616 /nfs/dbraw/zinc/29/16/16/774291616.db2.gz KKNKBHZRWLHCOL-LBPRGKRZSA-N 1 3 300.366 0.039 20 0 DCADHO COc1cc(OC)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218759881 774299795 /nfs/dbraw/zinc/29/97/95/774299795.db2.gz PLPHDJDLCLBAEX-MEBBXXQBSA-N 1 3 306.366 0.236 20 0 DCADHO O=C(Nc1csc(-c2ccncc2)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218765104 774299905 /nfs/dbraw/zinc/29/99/05/774299905.db2.gz TXQLRECJUFTHPV-LLVKDONJSA-N 1 3 315.402 0.953 20 0 DCADHO O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218836502 774312380 /nfs/dbraw/zinc/31/23/80/774312380.db2.gz JZAPYKKVTQQWDH-AWEZNQCLSA-N 1 3 312.377 0.074 20 0 DCADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2COC3(CNC3)CN2)cc1 ZINC001218898344 774323645 /nfs/dbraw/zinc/32/36/45/774323645.db2.gz NYVUXPOIAAQWET-CQSZACIVSA-N 1 3 318.421 0.192 20 0 DCADHO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029911 774349950 /nfs/dbraw/zinc/34/99/50/774349950.db2.gz STEJNPOKLKCJPR-ZFWWWQNUSA-N 1 3 319.361 0.258 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)C(=O)N(C)C ZINC001201065888 774441312 /nfs/dbraw/zinc/44/13/12/774441312.db2.gz BHCNEEYYNFPRIR-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)C(=O)N(C)C ZINC001201065889 774441427 /nfs/dbraw/zinc/44/14/27/774441427.db2.gz BHCNEEYYNFPRIR-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO COCCOc1c(F)cccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219306835 774442627 /nfs/dbraw/zinc/44/26/27/774442627.db2.gz AJOVUYJHPGURPW-NSHDSACASA-N 1 3 323.368 0.598 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]CC(=O)NC3CC3)CC2)CCC1 ZINC001201037447 774443214 /nfs/dbraw/zinc/44/32/14/774443214.db2.gz IYWNBNUHSIGJSK-UHFFFAOYSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1)N(C)C ZINC001201240268 774469764 /nfs/dbraw/zinc/46/97/64/774469764.db2.gz QHPYVFQLHMZPEH-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)c1nc2cc(NC(=O)[C@@H](N)CCC[NH3+])ccc2o1 ZINC001219439585 774494942 /nfs/dbraw/zinc/49/49/42/774494942.db2.gz LKYJNVRXWSKTHE-VIFPVBQESA-N 1 3 306.322 0.619 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219532590 774526470 /nfs/dbraw/zinc/52/64/70/774526470.db2.gz AULZTSYJRSWURH-JTNHKYCSSA-N 1 3 313.361 0.366 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219532590 774526472 /nfs/dbraw/zinc/52/64/72/774526472.db2.gz AULZTSYJRSWURH-JTNHKYCSSA-N 1 3 313.361 0.366 20 0 DCADHO C[NH+](C)CCNC(=O)[C@@H](N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001219553921 774535516 /nfs/dbraw/zinc/53/55/16/774535516.db2.gz QWLIWGBVGQTQMT-AWEZNQCLSA-N 1 3 321.421 0.879 20 0 DCADHO CC(F)(F)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219600981 774552552 /nfs/dbraw/zinc/55/25/52/774552552.db2.gz KCQCOPAGNVGALM-QWRGUYRKSA-N 1 3 320.384 0.205 20 0 DCADHO Cc1cc2c(cc1CNC(=O)[C@H](N)C1CC[NH2+]CC1)OCCO2 ZINC001219606454 774554781 /nfs/dbraw/zinc/55/47/81/774554781.db2.gz LKLUIABFMDLOGD-MRXNPFEDSA-N 1 3 319.405 0.709 20 0 DCADHO N[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1Cl ZINC001219714215 774588580 /nfs/dbraw/zinc/58/85/80/774588580.db2.gz IGGJTCLHUICNEY-GMTAPVOTSA-N 1 3 318.204 0.832 20 0 DCADHO CN[C@H](C(=O)NC[C@@]1(F)CCC[NH2+]C1)[C@@H](C)OC(C)(C)C ZINC001219768907 774601884 /nfs/dbraw/zinc/60/18/84/774601884.db2.gz QNKGUJIABPGTDI-TYNCELHUSA-N 1 3 303.422 0.986 20 0 DCADHO NC1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)Cc2ccccc2C1 ZINC001219801220 774612805 /nfs/dbraw/zinc/61/28/05/774612805.db2.gz VTGNQKQXKZBHBO-HNNXBMFYSA-N 1 3 315.417 0.368 20 0 DCADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1ccc2c(c1)CNC2 ZINC001219802788 774613789 /nfs/dbraw/zinc/61/37/89/774613789.db2.gz CELDRNSCOJPKBR-OAHLLOKOSA-N 1 3 301.390 0.788 20 0 DCADHO COc1cccc([C@H](N)CC(=O)NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001219813445 774617126 /nfs/dbraw/zinc/61/71/26/774617126.db2.gz UQCWOPDEVSDSJN-LXZKKBNFSA-N 1 3 319.405 0.437 20 0 DCADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1cc2c(s1)CNCC2 ZINC001219815210 774618638 /nfs/dbraw/zinc/61/86/38/774618638.db2.gz UWXHEVDNEAEBID-NHYWBVRUSA-N 1 3 307.419 0.360 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001219848003 774627153 /nfs/dbraw/zinc/62/71/53/774627153.db2.gz VAIDJWTWGXLGIB-SAVGLBRCSA-N 1 3 307.316 0.020 20 0 DCADHO N[C@@H](C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1)C1CC[NH2+]CC1 ZINC001219891329 774639151 /nfs/dbraw/zinc/63/91/51/774639151.db2.gz RZXUSIBZMJLTTK-IUODEOHRSA-N 1 3 304.394 0.088 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc(F)c(F)c(F)c1 ZINC001219906702 774640681 /nfs/dbraw/zinc/64/06/81/774640681.db2.gz TUQCPHBKBMLRNN-JTQLQIEISA-N 1 3 307.341 0.739 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCCCC[NH+](C)C ZINC001219921039 774646745 /nfs/dbraw/zinc/64/67/45/774646745.db2.gz OUZRXENXFMOEJP-JSGCOSHPSA-N 1 3 300.447 0.324 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)[N-]C(=N)SCC[NH3+] ZINC001220106516 774694923 /nfs/dbraw/zinc/69/49/23/774694923.db2.gz PUPKGUIQRAWIPV-MRVPVSSYSA-N 1 3 304.416 0.178 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)NC3CC3)CC2)C1 ZINC001202496058 774724616 /nfs/dbraw/zinc/72/46/16/774724616.db2.gz MSNNNJSDDKYZNS-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1ccc(C2(NC(=O)[C@@H](N)CSCC[NH3+])COC2)cc1 ZINC001220202828 774732672 /nfs/dbraw/zinc/73/26/72/774732672.db2.gz LKESZMPTZGARLF-ZDUSSCGKSA-N 1 3 309.435 0.356 20 0 DCADHO O=C(CCNC(=O)[C@@H]1C[NH2+]CC12CNC2)Nc1ccc(F)cc1 ZINC001220266011 774749521 /nfs/dbraw/zinc/74/95/21/774749521.db2.gz FPWXTNSROHMGCD-ZDUSSCGKSA-N 1 3 320.368 0.080 20 0 DCADHO O=C(NCCc1c[nH]c2cccnc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220384444 774789889 /nfs/dbraw/zinc/78/98/89/774789889.db2.gz UJPQBLKFJVIFCA-CXAGYDPISA-N 1 3 313.405 0.421 20 0 DCADHO CC(C)(C)NC(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220709479 774898490 /nfs/dbraw/zinc/89/84/90/774898490.db2.gz YYIZFBUBTFAPNN-LBPRGKRZSA-N 1 3 310.442 0.282 20 0 DCADHO CC(C)(C)NC(=O)CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220709479 774898495 /nfs/dbraw/zinc/89/84/95/774898495.db2.gz YYIZFBUBTFAPNN-LBPRGKRZSA-N 1 3 310.442 0.282 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786278 774914481 /nfs/dbraw/zinc/91/44/81/774914481.db2.gz SWLGVBWDBAJOJB-YUELXQCFSA-N 1 3 314.393 0.142 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786278 774914486 /nfs/dbraw/zinc/91/44/86/774914486.db2.gz SWLGVBWDBAJOJB-YUELXQCFSA-N 1 3 314.393 0.142 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1CCC2(CNC2)O1 ZINC001220788968 774915626 /nfs/dbraw/zinc/91/56/26/774915626.db2.gz HSEYDAAANDCWFY-KKUMJFAQSA-N 1 3 316.405 0.369 20 0 DCADHO CCOc1cc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)ccc1O ZINC001220816483 774923184 /nfs/dbraw/zinc/92/31/84/774923184.db2.gz ONDVJHVCEHVBAL-LBPRGKRZSA-N 1 3 305.378 0.216 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936490 774957568 /nfs/dbraw/zinc/95/75/68/774957568.db2.gz GKGZKFBNLVBKOZ-ZBFHGGJFSA-N 1 3 309.385 0.580 20 0 DCADHO COc1cccc(C(C)(C)CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001220996540 774973506 /nfs/dbraw/zinc/97/35/06/774973506.db2.gz ALCFXKLRXSACEL-GFCCVEGCSA-N 1 3 318.421 0.293 20 0 DCADHO N[C@H](C(=O)NCc1ccn(CC(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001221107940 774997259 /nfs/dbraw/zinc/99/72/59/774997259.db2.gz MLLMYQQERLCFJP-NSHDSACASA-N 1 3 319.331 0.389 20 0 DCADHO N[C@H](C(=O)NC1(c2cccnc2)CC[NH2+]CC1)C1CCOCC1 ZINC001221123742 775000514 /nfs/dbraw/zinc/00/05/14/775000514.db2.gz IEEYWUYFZWMLFC-HNNXBMFYSA-N 1 3 318.421 0.530 20 0 DCADHO O=C(N[C@@H]1CCOc2c(F)cc(F)cc21)[C@H]1C[NH2+]CC12CNC2 ZINC001221258753 775047725 /nfs/dbraw/zinc/04/77/25/775047725.db2.gz MOXHSJZPIFFVFH-DGCLKSJQSA-N 1 3 323.343 0.714 20 0 DCADHO O=C(NC[C@H](O)c1cc2ccccc2o1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221331113 775071283 /nfs/dbraw/zinc/07/12/83/775071283.db2.gz LQMMNTKKRPQWPL-STQMWFEESA-N 1 3 315.373 0.391 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)CC3CC[NH2+]CC3)CC2)NC1 ZINC001221390997 775083076 /nfs/dbraw/zinc/08/30/76/775083076.db2.gz JSACENBIIHAFTR-UHFFFAOYSA-N 1 3 304.438 0.944 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)C[C@@]3(O)CCC[NH2+]C3)CC2)NC1 ZINC001221392714 775083590 /nfs/dbraw/zinc/08/35/90/775083590.db2.gz ZUFUKMVKVHVBRP-KRWDZBQOSA-N 1 3 320.437 0.059 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@]34CC[C@H]3C[NH2+]C4)CC2)NC1 ZINC001221390985 775083724 /nfs/dbraw/zinc/08/37/24/775083724.db2.gz JMERSHMAMGJNPO-SUMWQHHRSA-N 1 3 302.422 0.554 20 0 DCADHO CO[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC001221398905 775086916 /nfs/dbraw/zinc/08/69/16/775086916.db2.gz JWHHWZWPFYNZLD-ARFHVFGLSA-N 1 3 303.406 0.584 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221414397 775092809 /nfs/dbraw/zinc/09/28/09/775092809.db2.gz PFMWMRJWNYWOEG-GJZGRUSLSA-N 1 3 310.442 0.124 20 0 DCADHO Cn1nccc1CCN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791264 775197834 /nfs/dbraw/zinc/19/78/34/775197834.db2.gz DFIRMRBQIIDTDC-GDBMZVCRSA-N 1 3 319.453 0.447 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222367631 775335167 /nfs/dbraw/zinc/33/51/67/775335167.db2.gz LZONZWQJDHVWMP-OAHLLOKOSA-N 1 3 308.451 0.743 20 0 DCADHO c1cc(CN2CC[NH2+]CC2)cc(CN2CCOC3(CNC3)C2)c1 ZINC001222447339 775354164 /nfs/dbraw/zinc/35/41/64/775354164.db2.gz SAUYONUXEZPXRI-UHFFFAOYSA-N 1 3 316.449 0.266 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225167848 775652114 /nfs/dbraw/zinc/65/21/14/775652114.db2.gz CZSFZVWBHZSHQE-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225167848 775652124 /nfs/dbraw/zinc/65/21/24/775652124.db2.gz CZSFZVWBHZSHQE-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281199 775704006 /nfs/dbraw/zinc/70/40/06/775704006.db2.gz IQDLKSPJRCEEFT-JJXSEGSLSA-N 1 3 321.465 0.965 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226800233 775878202 /nfs/dbraw/zinc/87/82/02/775878202.db2.gz IMTJSKJCTJFTAG-FMKPAKJESA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)N(C)C ZINC001227056691 775918999 /nfs/dbraw/zinc/91/89/99/775918999.db2.gz IRXQKEIREBMISQ-RBSFLKMASA-N 1 3 315.458 0.353 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001114836204 776209382 /nfs/dbraw/zinc/20/93/82/776209382.db2.gz YXRZVZHSXPXCNV-KBEGMRNHSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)C1 ZINC001114836204 776209386 /nfs/dbraw/zinc/20/93/86/776209386.db2.gz YXRZVZHSXPXCNV-KBEGMRNHSA-N 1 3 321.465 0.801 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001230366640 776287019 /nfs/dbraw/zinc/28/70/19/776287019.db2.gz AONVRXSVFUUKKQ-UHFFFAOYSA-N 1 3 321.469 0.883 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001067010449 776613622 /nfs/dbraw/zinc/61/36/22/776613622.db2.gz MHXNNESCNDVLPO-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)CN1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001278121401 945145615 /nfs/dbraw/zinc/14/56/15/945145615.db2.gz ZMXKXJBCOWHFSF-LSDHHAIUSA-N 1 3 322.453 0.882 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001317708666 945168966 /nfs/dbraw/zinc/16/89/66/945168966.db2.gz LDICTCSZGQRGPZ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N(C)C ZINC001317708666 945168970 /nfs/dbraw/zinc/16/89/70/945168970.db2.gz LDICTCSZGQRGPZ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001317709200 945169950 /nfs/dbraw/zinc/16/99/50/945169950.db2.gz KAKHFPXGUMCFEM-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001317709200 945169957 /nfs/dbraw/zinc/16/99/57/945169957.db2.gz KAKHFPXGUMCFEM-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001273019022 945196028 /nfs/dbraw/zinc/19/60/28/945196028.db2.gz QWJDDEDUJTXMJC-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CN1CC[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1=O ZINC000397499719 939137593 /nfs/dbraw/zinc/13/75/93/939137593.db2.gz VIDPSHKDQMXBLT-MRXNPFEDSA-N 1 3 317.433 0.834 20 0 DCADHO Cc1noc(CCC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC001266552138 939161302 /nfs/dbraw/zinc/16/13/02/939161302.db2.gz NGHXNFYNETUEFC-LBPRGKRZSA-N 1 3 318.381 0.467 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)CC[NH3+] ZINC000398200842 939189649 /nfs/dbraw/zinc/18/96/49/939189649.db2.gz PJRRVDRESAYDQN-UKRRQHHQSA-N 1 3 311.451 0.775 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001266741425 939226315 /nfs/dbraw/zinc/22/63/15/939226315.db2.gz TZNQMVLXEMDCFM-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001267024682 939315348 /nfs/dbraw/zinc/31/53/48/939315348.db2.gz MZKKDFNBAMMOFN-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCn3cccn3)C2)C1 ZINC001267057998 939326510 /nfs/dbraw/zinc/32/65/10/939326510.db2.gz NHWFWVUSQOQENU-JKSUJKDBSA-N 1 3 319.453 0.663 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267439456 939457066 /nfs/dbraw/zinc/45/70/66/939457066.db2.gz IWDPKGNCEBGOBQ-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267439456 939457069 /nfs/dbraw/zinc/45/70/69/939457069.db2.gz IWDPKGNCEBGOBQ-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)[C@H](C)C[NH+]2CCOCC2)o1 ZINC001267470185 939468586 /nfs/dbraw/zinc/46/85/86/939468586.db2.gz YICARSXXYVUMOZ-CYBMUJFWSA-N 1 3 324.425 0.499 20 0 DCADHO CN1CCC[C@H](N2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001481107721 939563082 /nfs/dbraw/zinc/56/30/82/939563082.db2.gz HIWLPUTXFZWNKE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481436005 939789871 /nfs/dbraw/zinc/78/98/71/939789871.db2.gz WRNIXFUWYLWJHI-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001481436005 939789873 /nfs/dbraw/zinc/78/98/73/939789873.db2.gz WRNIXFUWYLWJHI-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CC[C@H](N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)C1=O ZINC001481448437 939796662 /nfs/dbraw/zinc/79/66/62/939796662.db2.gz YHOJLGNRWGEQBA-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN(C)CC(C)(C)C ZINC001268405170 940106639 /nfs/dbraw/zinc/10/66/39/940106639.db2.gz QUYNACUBQVDJIQ-ZDUSSCGKSA-N 1 3 324.473 0.777 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCC(=O)N(C)C)CC[N@@H+]1C ZINC001268451419 940127725 /nfs/dbraw/zinc/12/77/25/940127725.db2.gz JTKRSICCNKBASF-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCC(=O)N(C)C)CC[N@H+]1C ZINC001268451419 940127727 /nfs/dbraw/zinc/12/77/27/940127727.db2.gz JTKRSICCNKBASF-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cnn(C)c1 ZINC001481846268 940157712 /nfs/dbraw/zinc/15/77/12/940157712.db2.gz XFUKVKOXDXVEHH-AWEZNQCLSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001481882128 940170127 /nfs/dbraw/zinc/17/01/27/940170127.db2.gz PKOUFEYPITXMJR-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001481903307 940176551 /nfs/dbraw/zinc/17/65/51/940176551.db2.gz CMAGVWAPFMAGSJ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001481929553 940186485 /nfs/dbraw/zinc/18/64/85/940186485.db2.gz BMPBCCGMIQHUCC-SJCJKPOMSA-N 1 3 324.469 0.480 20 0 DCADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1CCNC[C@H]1F ZINC001245973851 945303442 /nfs/dbraw/zinc/30/34/42/945303442.db2.gz LEEHGTQTVPVHIS-LXTVHRRPSA-N 1 3 317.355 0.485 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001268551689 940230754 /nfs/dbraw/zinc/23/07/54/940230754.db2.gz IKVNBRBJVHDFLG-VRZZLATASA-N 1 3 312.458 0.311 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482065303 940241841 /nfs/dbraw/zinc/24/18/41/940241841.db2.gz XBBCZMZJEMZKPI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482065303 940241842 /nfs/dbraw/zinc/24/18/42/940241842.db2.gz XBBCZMZJEMZKPI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001268574751 940250710 /nfs/dbraw/zinc/25/07/10/940250710.db2.gz LYHHOFBCJMDTDX-MQQKUOPWSA-N 1 3 322.453 0.259 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ncn1)N(C)C ZINC001482114151 940260072 /nfs/dbraw/zinc/26/00/72/940260072.db2.gz ZHIGXTPELYFKQR-SWLSCSKDSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001482145411 940282978 /nfs/dbraw/zinc/28/29/78/940282978.db2.gz YRRRTTMDHKCUBN-VXGBXAGGSA-N 1 3 300.447 0.180 20 0 DCADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC(N)=O ZINC001482171560 940292044 /nfs/dbraw/zinc/29/20/44/940292044.db2.gz GMQMQPSGJOGYDV-GFCCVEGCSA-N 1 3 306.410 0.189 20 0 DCADHO CCN(C)C(=O)CNC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268630181 940308407 /nfs/dbraw/zinc/30/84/07/940308407.db2.gz GPZOHLPZMWXDPU-LZNQSLFOSA-N 1 3 324.469 0.601 20 0 DCADHO CCN(C)C(=O)CNC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268630181 940308410 /nfs/dbraw/zinc/30/84/10/940308410.db2.gz GPZOHLPZMWXDPU-LZNQSLFOSA-N 1 3 324.469 0.601 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)NC(=O)CN(C)C1CCC1 ZINC001268648659 940319155 /nfs/dbraw/zinc/31/91/55/940319155.db2.gz QTGCNVSTYGMPPZ-CYBMUJFWSA-N 1 3 307.442 0.541 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCc2ccnn2C)CCC1 ZINC001268797634 940364248 /nfs/dbraw/zinc/36/42/48/940364248.db2.gz VNWFZCUFGGJSCQ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CC)CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001409992178 945313324 /nfs/dbraw/zinc/31/33/24/945313324.db2.gz FXAPBBYVYVQGJX-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CCN(CC)CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409992178 945313330 /nfs/dbraw/zinc/31/33/30/945313330.db2.gz FXAPBBYVYVQGJX-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO NC(=O)C1CC[NH+](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001269045660 940600557 /nfs/dbraw/zinc/60/05/57/940600557.db2.gz JLJZIBJIJXZXDS-UHFFFAOYSA-N 1 3 322.453 0.271 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](NCC2([NH3+])CCCC2)C[C@H]1C(=O)OC ZINC001246076478 945335896 /nfs/dbraw/zinc/33/58/96/945335896.db2.gz PIHAYQGHFBRTMA-YNEHKIRRSA-N 1 3 312.410 0.978 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)N2CC3(C2)CC[N@H+](C)C3)c1 ZINC001269337080 940686651 /nfs/dbraw/zinc/68/66/51/940686651.db2.gz LNAYWFGVYGLQEL-HNNXBMFYSA-N 1 3 303.406 0.729 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)N2CC3(C2)CC[N@@H+](C)C3)c1 ZINC001269337080 940686652 /nfs/dbraw/zinc/68/66/52/940686652.db2.gz LNAYWFGVYGLQEL-HNNXBMFYSA-N 1 3 303.406 0.729 20 0 DCADHO CCOC(=O)c1ccnc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246195030 945362049 /nfs/dbraw/zinc/36/20/49/945362049.db2.gz VIBBARCOCINDDK-CYBMUJFWSA-N 1 3 304.394 0.442 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482337488 941004398 /nfs/dbraw/zinc/00/43/98/941004398.db2.gz REDTWXIHOVTRPF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482354087 941017817 /nfs/dbraw/zinc/01/78/17/941017817.db2.gz NQWKIVQPHANGOE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001482368988 941025232 /nfs/dbraw/zinc/02/52/32/941025232.db2.gz KDKXVTCOUIKRIF-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001271476976 941386508 /nfs/dbraw/zinc/38/65/08/941386508.db2.gz JWTCDOPZPNALEK-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO Cc1cc(CN[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)ncn1 ZINC001482569631 941510394 /nfs/dbraw/zinc/51/03/94/941510394.db2.gz CTOAEIOXKJWUQW-GOEBONIOSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1cc(CN[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)ncn1 ZINC001482569631 941510397 /nfs/dbraw/zinc/51/03/97/941510397.db2.gz CTOAEIOXKJWUQW-GOEBONIOSA-N 1 3 319.453 0.967 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCOC ZINC001423541827 941544183 /nfs/dbraw/zinc/54/41/83/941544183.db2.gz IMZAZHIMMDEFCM-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCOC ZINC001423541827 941544186 /nfs/dbraw/zinc/54/41/86/941544186.db2.gz IMZAZHIMMDEFCM-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001482734415 941641644 /nfs/dbraw/zinc/64/16/44/941641644.db2.gz JXHPHQLKCCXJTA-HOTGVXAUSA-N 1 3 320.437 0.523 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001482734415 941641647 /nfs/dbraw/zinc/64/16/47/941641647.db2.gz JXHPHQLKCCXJTA-HOTGVXAUSA-N 1 3 320.437 0.523 20 0 DCADHO C[NH+]1CCC(CC(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC1 ZINC001483067656 941824566 /nfs/dbraw/zinc/82/45/66/941824566.db2.gz ARKUCUQCTVENRR-FAAWYNLUSA-N 1 3 322.453 0.259 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001483068832 941825350 /nfs/dbraw/zinc/82/53/50/941825350.db2.gz JAEGPWQLFHQXFQ-BUHQSOCUSA-N 1 3 310.442 0.385 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001483068832 941825353 /nfs/dbraw/zinc/82/53/53/941825353.db2.gz JAEGPWQLFHQXFQ-BUHQSOCUSA-N 1 3 310.442 0.385 20 0 DCADHO C[C@@H](NCCF)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001506848906 941843404 /nfs/dbraw/zinc/84/34/04/941843404.db2.gz GWWRLEKMKYRMLV-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(CNCc2ccn(C)n2)C1)[NH+](C)C ZINC001409273551 941856308 /nfs/dbraw/zinc/85/63/08/941856308.db2.gz GENRKOLKMREMAG-AVVWSFFYSA-N 1 3 321.469 0.991 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483228347 941952059 /nfs/dbraw/zinc/95/20/59/941952059.db2.gz FUOBSDNPLLGHTO-GXTWGEPZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483252128 942208450 /nfs/dbraw/zinc/20/84/50/942208450.db2.gz ONZORGORMHURGE-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483252128 942208456 /nfs/dbraw/zinc/20/84/56/942208456.db2.gz ONZORGORMHURGE-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001483296695 942247268 /nfs/dbraw/zinc/24/72/68/942247268.db2.gz OVFBVBHRUWIHOY-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)Cc1c[nH]cn1 ZINC001483495398 942387303 /nfs/dbraw/zinc/38/73/03/942387303.db2.gz YOGKENDIDDCREA-ZDUSSCGKSA-N 1 3 321.425 0.307 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001483941812 943041513 /nfs/dbraw/zinc/04/15/13/943041513.db2.gz DYYVWAMXGMVDDN-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO COCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCOCC1 ZINC001484187675 943183005 /nfs/dbraw/zinc/18/30/05/943183005.db2.gz MELCTBRFCRCHLN-CQSZACIVSA-N 1 3 315.458 0.474 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001484357453 943333986 /nfs/dbraw/zinc/33/39/86/943333986.db2.gz HSQOWCZETOEFNS-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@]2(CO)CCCN(CCCF)C2)CC1 ZINC001484443533 943391484 /nfs/dbraw/zinc/39/14/84/943391484.db2.gz LVZVEFNOEVPZDD-MRXNPFEDSA-N 1 3 315.433 0.631 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@H]2CCOC2)CCC1 ZINC001484659393 943498026 /nfs/dbraw/zinc/49/80/26/943498026.db2.gz DAWIIOJVQLHKIP-CYBMUJFWSA-N 1 3 306.410 0.926 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001484695992 943527642 /nfs/dbraw/zinc/52/76/42/943527642.db2.gz KSHNTHSRBIMCLB-HNNXBMFYSA-N 1 3 323.441 0.042 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001484901269 943617697 /nfs/dbraw/zinc/61/76/97/943617697.db2.gz ACKMNDRHZIIUBK-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2cnn(C)c2)C1 ZINC001484901269 943617699 /nfs/dbraw/zinc/61/76/99/943617699.db2.gz ACKMNDRHZIIUBK-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484923776 943626356 /nfs/dbraw/zinc/62/63/56/943626356.db2.gz CDWMGELMZZIKCV-UHFFFAOYSA-N 1 3 307.398 0.011 20 0 DCADHO CCCC[C@H](CNCC(=O)NC)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485462295 943950078 /nfs/dbraw/zinc/95/00/78/943950078.db2.gz DPCIHLMLSNRVRR-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001491455029 944008854 /nfs/dbraw/zinc/00/88/54/944008854.db2.gz NSSGBVJTKSVMPP-KBPBESRZSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001491455029 944008860 /nfs/dbraw/zinc/00/88/60/944008860.db2.gz NSSGBVJTKSVMPP-KBPBESRZSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H](NCc1cncn1C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485642944 944060438 /nfs/dbraw/zinc/06/04/38/944060438.db2.gz GJJJMBSFZGCGCZ-DZGCQCFKSA-N 1 3 323.441 0.077 20 0 DCADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001485695344 944090736 /nfs/dbraw/zinc/09/07/36/944090736.db2.gz JMTAPDKHEJFLFD-HDJSIYSDSA-N 1 3 305.426 0.721 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413783000 944091316 /nfs/dbraw/zinc/09/13/16/944091316.db2.gz DQQBAXRBWGRUKC-HNNXBMFYSA-N 1 3 309.454 0.920 20 0 DCADHO CN(CC(=O)NCC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485762826 944124687 /nfs/dbraw/zinc/12/46/87/944124687.db2.gz JHYBOIJRJYAUOS-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CC[N@@H+]1CCC[C@@]2(CN(CCn3ccnc3)CCO2)C1 ZINC001276463270 944180909 /nfs/dbraw/zinc/18/09/09/944180909.db2.gz ICQKQRRVQJUFHT-KRWDZBQOSA-N 1 3 321.469 0.612 20 0 DCADHO CN(C)CC[N@H+]1CCC[C@@]2(CN(CCn3ccnc3)CCO2)C1 ZINC001276463270 944180914 /nfs/dbraw/zinc/18/09/14/944180914.db2.gz ICQKQRRVQJUFHT-KRWDZBQOSA-N 1 3 321.469 0.612 20 0 DCADHO COCCOCN1CCC2(C[NH+](C[C@H]3CCCN(C)C3)C2)C1 ZINC001276496833 944190563 /nfs/dbraw/zinc/19/05/63/944190563.db2.gz NHSJIFSTIUVZQX-INIZCTEOSA-N 1 3 311.470 0.956 20 0 DCADHO Cc1cc(C)cc(CN[C@@H](CO)CNC(=O)CC[NH+](C)C)c1 ZINC001486030703 944510621 /nfs/dbraw/zinc/51/06/21/944510621.db2.gz LNLRBQZSKYWPFB-MRXNPFEDSA-N 1 3 307.438 0.822 20 0 DCADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001486087503 944546054 /nfs/dbraw/zinc/54/60/54/944546054.db2.gz LBSYVOQZVSKVFJ-UKRRQHHQSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001486087503 944546060 /nfs/dbraw/zinc/54/60/60/944546060.db2.gz LBSYVOQZVSKVFJ-UKRRQHHQSA-N 1 3 324.469 0.705 20 0 DCADHO CN(C)C1(C(=O)N[C@H](CNC(=O)CC[NH+](C)C)C2CC2)CCC1 ZINC001430032344 1013059124 /nfs/dbraw/zinc/05/91/24/1013059124.db2.gz BTYYQQSBTSFACP-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC)C[C@@H]1C ZINC001486128601 944606153 /nfs/dbraw/zinc/60/61/53/944606153.db2.gz KHSQGKFGGNZDSO-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC)C[C@@H]1C ZINC001486128601 944606157 /nfs/dbraw/zinc/60/61/57/944606157.db2.gz KHSQGKFGGNZDSO-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C)C1=O ZINC001316908068 944637807 /nfs/dbraw/zinc/63/78/07/944637807.db2.gz VGKRGOXWUXUXTA-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)CC1 ZINC001316919101 944646840 /nfs/dbraw/zinc/64/68/40/944646840.db2.gz CHHOKUQUFQPFRO-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001317062651 944769541 /nfs/dbraw/zinc/76/95/41/944769541.db2.gz OEMZMJUGSQDMLY-XJKSGUPXSA-N 1 3 315.433 0.772 20 0 DCADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](C[C@H]3COCCO3)C[C@H]2CC1 ZINC001277524189 944862388 /nfs/dbraw/zinc/86/23/88/944862388.db2.gz FQPOPDILHONVFR-BBWFWOEESA-N 1 3 320.437 0.969 20 0 DCADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](C[C@H]3COCCO3)C[C@H]2CC1 ZINC001277524189 944862390 /nfs/dbraw/zinc/86/23/90/944862390.db2.gz FQPOPDILHONVFR-BBWFWOEESA-N 1 3 320.437 0.969 20 0 DCADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCC(=O)NC3CC3)(C1)CCC2 ZINC001277630594 944918852 /nfs/dbraw/zinc/91/88/52/944918852.db2.gz NWZICEZHBNBPLE-DLBZAZTESA-N 1 3 308.470 0.851 20 0 DCADHO COCCC1(N[C@H]2CC[NH2+][C@H](C)C2)CCS(=O)(=O)CC1 ZINC001246391854 945401498 /nfs/dbraw/zinc/40/14/98/945401498.db2.gz PKKWQMMMWJYGQM-OLZOCXBDSA-N 1 3 304.456 0.700 20 0 DCADHO COCCC1([NH2+][C@H]2CCN[C@H](C)C2)CCS(=O)(=O)CC1 ZINC001246391854 945401507 /nfs/dbraw/zinc/40/15/07/945401507.db2.gz PKKWQMMMWJYGQM-OLZOCXBDSA-N 1 3 304.456 0.700 20 0 DCADHO CCOC(=O)[C@@H]1C[C@@H](NC2(CCOC)CC[NH2+]CC2)CCN1 ZINC001246394572 945402505 /nfs/dbraw/zinc/40/25/05/945402505.db2.gz UAXXYJDRXMCDHK-KBPBESRZSA-N 1 3 313.442 0.418 20 0 DCADHO FC(F)(F)Cn1cnc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246435668 945410094 /nfs/dbraw/zinc/41/00/94/945410094.db2.gz GWCPOFGLTUHLGT-SNVBAGLBSA-N 1 3 303.332 0.629 20 0 DCADHO NC[C@]1(O)CCCC[N@@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001246556153 945433435 /nfs/dbraw/zinc/43/34/35/945433435.db2.gz DHDVJKVYICMIQC-OFLPRAFFSA-N 1 3 311.470 0.806 20 0 DCADHO NC[C@]1(O)CCCC[N@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001246556153 945433439 /nfs/dbraw/zinc/43/34/39/945433439.db2.gz DHDVJKVYICMIQC-OFLPRAFFSA-N 1 3 311.470 0.806 20 0 DCADHO NC[C@H]1C[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246586591 945436774 /nfs/dbraw/zinc/43/67/74/945436774.db2.gz RJRNEYNUOAGJAK-YESZJQIVSA-N 1 3 317.433 0.819 20 0 DCADHO NC[C@H]1C[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246586591 945436780 /nfs/dbraw/zinc/43/67/80/945436780.db2.gz RJRNEYNUOAGJAK-YESZJQIVSA-N 1 3 317.433 0.819 20 0 DCADHO CC[C@@H]1CC(N2CCOC[C@]3(CNCCO3)C2)C[C@@H](CC)[NH2+]1 ZINC001246599606 945440888 /nfs/dbraw/zinc/44/08/88/945440888.db2.gz DOJIDLPBQUYLDG-INMHGKMJSA-N 1 3 311.470 0.986 20 0 DCADHO O=C([C@@H]1COC[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]21)N1CCCCO1 ZINC001246701389 945465112 /nfs/dbraw/zinc/46/51/12/945465112.db2.gz MFBINPYMDYRQIX-QKPAOTATSA-N 1 3 323.437 0.487 20 0 DCADHO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3C2CCNCC2)cn1 ZINC001246724577 945472826 /nfs/dbraw/zinc/47/28/26/945472826.db2.gz VBOXKQGDYGGFQE-CABCVRRESA-N 1 3 303.410 0.461 20 0 DCADHO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@H+]3C2CCNCC2)cn1 ZINC001246724577 945472833 /nfs/dbraw/zinc/47/28/33/945472833.db2.gz VBOXKQGDYGGFQE-CABCVRRESA-N 1 3 303.410 0.461 20 0 DCADHO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C2CC[NH2+]CC2)cn1 ZINC001246724577 945472838 /nfs/dbraw/zinc/47/28/38/945472838.db2.gz VBOXKQGDYGGFQE-CABCVRRESA-N 1 3 303.410 0.461 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+]([C@H]3CCCN(C)CC3)C[C@H]1CNCC2 ZINC001246856328 945503848 /nfs/dbraw/zinc/50/38/48/945503848.db2.gz DNTZRIQWCCLMGA-HLLBOEOZSA-N 1 3 309.454 0.945 20 0 DCADHO CCOC(=O)[C@]12C[N@H+]([C@H]3CCCN(C)CC3)C[C@H]1CNCC2 ZINC001246856328 945503858 /nfs/dbraw/zinc/50/38/58/945503858.db2.gz DNTZRIQWCCLMGA-HLLBOEOZSA-N 1 3 309.454 0.945 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+]([C@H](C)CCC(=O)OC)C[C@H]1CNCC2 ZINC001246855574 945505301 /nfs/dbraw/zinc/50/53/01/945505301.db2.gz OIUTUDLRUVNHMR-XJKCOSOUSA-N 1 3 312.410 0.803 20 0 DCADHO CCOC(=O)[C@]12C[N@H+]([C@H](C)CCC(=O)OC)C[C@H]1CNCC2 ZINC001246855574 945505307 /nfs/dbraw/zinc/50/53/07/945505307.db2.gz OIUTUDLRUVNHMR-XJKCOSOUSA-N 1 3 312.410 0.803 20 0 DCADHO Cc1cnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246974424 945532639 /nfs/dbraw/zinc/53/26/39/945532639.db2.gz AKWBAZQKOXNHTF-AWEZNQCLSA-N 1 3 302.426 0.001 20 0 DCADHO c1cc(-c2noc([C@]34C[NH2+]C[C@@H]3CCN4)n2)nc2c1CNCC2 ZINC001247831932 945576197 /nfs/dbraw/zinc/57/61/97/945576197.db2.gz ABWCPAKDYUZDNB-ZBEGNZNMSA-N 1 3 312.377 0.185 20 0 DCADHO COc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1F ZINC001247856103 945577958 /nfs/dbraw/zinc/57/79/58/945577958.db2.gz MCYYVOZSKPLREX-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC001320236234 945781198 /nfs/dbraw/zinc/78/11/98/945781198.db2.gz XDKWEDCPAIXKGZ-KGLIPLIRSA-N 1 3 313.442 0.107 20 0 DCADHO C[N@H+](CCO)CCCNC[C@@H](O)COc1ccc(F)cc1 ZINC001251953093 945820606 /nfs/dbraw/zinc/82/06/06/945820606.db2.gz VQTUSQVNHUJNIO-CQSZACIVSA-N 1 3 300.374 0.469 20 0 DCADHO C[N@@H+](CCO)CCCNC[C@@H](O)COc1ccc(F)cc1 ZINC001251953093 945820617 /nfs/dbraw/zinc/82/06/17/945820617.db2.gz VQTUSQVNHUJNIO-CQSZACIVSA-N 1 3 300.374 0.469 20 0 DCADHO OC[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252059947 945861443 /nfs/dbraw/zinc/86/14/43/945861443.db2.gz QYTDAFBMVYNKQJ-INIZCTEOSA-N 1 3 305.422 0.723 20 0 DCADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001253204918 946093750 /nfs/dbraw/zinc/09/37/50/946093750.db2.gz YAYPZTUSQTYCNC-HUUCEWRRSA-N 1 3 307.438 0.535 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001410394513 946299203 /nfs/dbraw/zinc/29/92/03/946299203.db2.gz MZUZWYSSNHBBPP-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001410394513 946299209 /nfs/dbraw/zinc/29/92/09/946299209.db2.gz MZUZWYSSNHBBPP-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC[C@@H](O)C[NH3+])CCO2 ZINC001254798265 946431579 /nfs/dbraw/zinc/43/15/79/946431579.db2.gz GSOVYYHSXJABBU-NEPJUHHUSA-N 1 3 315.414 0.064 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001321710906 946436033 /nfs/dbraw/zinc/43/60/33/946436033.db2.gz WLYCPCMCOSRVIT-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO O=C1CC2(CCN([C@@H]3CC4CC[NH+](CC4)C3)CC2)CC(=O)N1 ZINC001254859476 946440670 /nfs/dbraw/zinc/44/06/70/946440670.db2.gz DVDJKTICNLDNDV-CQSZACIVSA-N 1 3 305.422 0.990 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](CNCCF)C2)CC[N@@H+]1C ZINC001273307577 946462013 /nfs/dbraw/zinc/46/20/13/946462013.db2.gz ARIPOGKZDUAUEX-IHRRRGAJSA-N 1 3 301.406 0.503 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](CNCCF)C2)CC[N@H+]1C ZINC001273307577 946462019 /nfs/dbraw/zinc/46/20/19/946462019.db2.gz ARIPOGKZDUAUEX-IHRRRGAJSA-N 1 3 301.406 0.503 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001410502047 946492013 /nfs/dbraw/zinc/49/20/13/946492013.db2.gz IMNTVGUODHWENU-CQSZACIVSA-N 1 3 322.453 0.662 20 0 DCADHO C[NH+]1CCC(n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CC1 ZINC001256203371 946593861 /nfs/dbraw/zinc/59/38/61/946593861.db2.gz GUSZWNWTSUKRPF-UHFFFAOYSA-N 1 3 315.421 0.808 20 0 DCADHO C[NH+]1CCN(C2CCN(C3CCS(=O)(=O)CC3)CC2)CC1 ZINC001256388430 946632018 /nfs/dbraw/zinc/63/20/18/946632018.db2.gz DOHCEAVXXNMARA-UHFFFAOYSA-N 1 3 315.483 0.275 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCC(C)(C)C1 ZINC001410614643 946658073 /nfs/dbraw/zinc/65/80/73/946658073.db2.gz DNBACYUYUOQPFQ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCC[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001322443279 946680544 /nfs/dbraw/zinc/68/05/44/946680544.db2.gz WEBCDCSCATUXGB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO COC(=O)[C@@H]1CC[C@H]([N@H+](C)C[C@H](C)CN)C[C@H]1C(=O)OC ZINC001257725208 946758847 /nfs/dbraw/zinc/75/88/47/946758847.db2.gz BIHSTYQCNLQTLA-YVECIDJPSA-N 1 3 300.399 0.644 20 0 DCADHO COC(=O)[C@@H]1CC[C@H]([N@@H+](C)C[C@H](C)CN)C[C@H]1C(=O)OC ZINC001257725208 946758859 /nfs/dbraw/zinc/75/88/59/946758859.db2.gz BIHSTYQCNLQTLA-YVECIDJPSA-N 1 3 300.399 0.644 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](N(C)C[C@H](C)C[NH3+])C[C@H]1C(=O)OC ZINC001257725208 946758873 /nfs/dbraw/zinc/75/88/73/946758873.db2.gz BIHSTYQCNLQTLA-YVECIDJPSA-N 1 3 300.399 0.644 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322750603 946790928 /nfs/dbraw/zinc/79/09/28/946790928.db2.gz OILCSDJCMFJSLL-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001410737633 946861865 /nfs/dbraw/zinc/86/18/65/946861865.db2.gz HACHUAZOALTKKI-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001410819409 946985857 /nfs/dbraw/zinc/98/58/57/946985857.db2.gz VSYRWWWKZJZHJA-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001437196977 947050510 /nfs/dbraw/zinc/05/05/10/947050510.db2.gz GABQACIEFPLYIJ-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)CN1C(=O)CN1CCCC1 ZINC001410900332 947106106 /nfs/dbraw/zinc/10/61/06/947106106.db2.gz ZXRKTSGFYPUUJX-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)CCC[NH+](C)C)C2)CCC1 ZINC001410913807 947115232 /nfs/dbraw/zinc/11/52/32/947115232.db2.gz CYHDBKADWSVUFY-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001410938874 947151437 /nfs/dbraw/zinc/15/14/37/947151437.db2.gz IGPBUNWCTHNGJH-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CCOCCN1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001324616160 947479396 /nfs/dbraw/zinc/47/93/96/947479396.db2.gz SVQOPYLPRXNROI-RDJZCZTQSA-N 1 3 309.454 0.945 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C(C)(C)C ZINC001411212335 947493674 /nfs/dbraw/zinc/49/36/74/947493674.db2.gz AUKWJHLNBFDZQK-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC ZINC001135975848 947668252 /nfs/dbraw/zinc/66/82/52/947668252.db2.gz DKKJKODYLPHIML-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179420514 947847092 /nfs/dbraw/zinc/84/70/92/947847092.db2.gz MXHSIRRUDZQLHQ-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)CC[NH+](C)C ZINC001179472566 947848443 /nfs/dbraw/zinc/84/84/43/947848443.db2.gz OKXSRZDETQEVRM-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NCC(=O)NC)[C@@H]1C)[NH+](CC)CC ZINC001179520523 947853491 /nfs/dbraw/zinc/85/34/91/947853491.db2.gz DEQGKGZBUVLMSP-MELADBBJSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1cc(N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)cc[nH+]1 ZINC001273582608 947968336 /nfs/dbraw/zinc/96/83/36/947968336.db2.gz CTTKMCJSKMQGFU-QGZVFWFLSA-N 1 3 318.421 0.759 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC001327681522 948595066 /nfs/dbraw/zinc/59/50/66/948595066.db2.gz DAWBHQNMOJJZEY-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccnn3C)C2)CCC1 ZINC001488741095 949094016 /nfs/dbraw/zinc/09/40/16/949094016.db2.gz MNCMGIDVQYOYOX-OKILXGFUSA-N 1 3 319.453 0.889 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001328826437 949121590 /nfs/dbraw/zinc/12/15/90/949121590.db2.gz XUIIVIYXROXVKK-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001328826437 949121600 /nfs/dbraw/zinc/12/16/00/949121600.db2.gz XUIIVIYXROXVKK-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001488773511 949171688 /nfs/dbraw/zinc/17/16/88/949171688.db2.gz PWHJNIOLMQZAEV-BYNSBNAKSA-N 1 3 322.453 0.091 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(C)C ZINC001489056266 949449432 /nfs/dbraw/zinc/44/94/32/949449432.db2.gz OKSPSZUSNCUUJV-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001265873237 950072403 /nfs/dbraw/zinc/07/24/03/950072403.db2.gz PXEAWTNKFRPQLS-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001266028976 950276049 /nfs/dbraw/zinc/27/60/49/950276049.db2.gz HWLXHPXJBOLRNM-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO O=C1CC[C@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC000702640024 950337186 /nfs/dbraw/zinc/33/71/86/950337186.db2.gz ICFNBPJXXZRJTK-WBVHZDCISA-N 1 3 303.406 0.492 20 0 DCADHO O=C1CC[C@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000702640024 950337207 /nfs/dbraw/zinc/33/72/07/950337207.db2.gz ICFNBPJXXZRJTK-WBVHZDCISA-N 1 3 303.406 0.492 20 0 DCADHO CN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCCNC1=O ZINC001490194850 950413402 /nfs/dbraw/zinc/41/34/02/950413402.db2.gz CEFJURXMFAUKHQ-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CCCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001280000564 950752334 /nfs/dbraw/zinc/75/23/34/950752334.db2.gz VZZXJMUPMQZQCE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001490668090 950974352 /nfs/dbraw/zinc/97/43/52/950974352.db2.gz LTPBLANQGJEPMA-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202518590 951178719 /nfs/dbraw/zinc/17/87/19/951178719.db2.gz YGYAXTYIZIQQBN-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3ccc(=O)[nH]n3)C2)C1=O ZINC001274271025 951528930 /nfs/dbraw/zinc/52/89/30/951528930.db2.gz ZDLOETBDXLZUKM-MRXNPFEDSA-N 1 3 319.409 0.168 20 0 DCADHO C[C@@H](F)CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001274544151 951690117 /nfs/dbraw/zinc/69/01/17/951690117.db2.gz OTBWCZXPJWMXEB-ZIAGYGMSSA-N 1 3 315.433 0.772 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H](O)C[NH2+]CCF)c1 ZINC001332608686 951721299 /nfs/dbraw/zinc/72/12/99/951721299.db2.gz YNMFJYFVJUXJFB-HNNXBMFYSA-N 1 3 311.401 0.740 20 0 DCADHO Cn1cncc1N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274758186 951830472 /nfs/dbraw/zinc/83/04/72/951830472.db2.gz CVOAZEZGMBDUIU-MRXNPFEDSA-N 1 3 319.409 0.327 20 0 DCADHO C[C@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446933514 1013112246 /nfs/dbraw/zinc/11/22/46/1013112246.db2.gz IJXKLAQZEOAUBK-STQMWFEESA-N 1 3 308.430 0.093 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCOCCO ZINC001275129526 951966245 /nfs/dbraw/zinc/96/62/45/951966245.db2.gz WTOFTXMFSXTIJA-HUUCEWRRSA-N 1 3 313.442 0.012 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOCCO ZINC001275129526 951966254 /nfs/dbraw/zinc/96/62/54/951966254.db2.gz WTOFTXMFSXTIJA-HUUCEWRRSA-N 1 3 313.442 0.012 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001333939533 952204661 /nfs/dbraw/zinc/20/46/61/952204661.db2.gz DNKIRMWSYGOGLO-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)CCN1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC001412308648 952743444 /nfs/dbraw/zinc/74/34/44/952743444.db2.gz JMEDKHVMOBXYIC-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCC1)C(=O)CN(C)C1CCC1 ZINC001276048339 952873628 /nfs/dbraw/zinc/87/36/28/952873628.db2.gz PRFSCBKTMMYGJW-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001276214683 953012718 /nfs/dbraw/zinc/01/27/18/953012718.db2.gz MKXBTMGRYKYLGQ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2nc(C)no2)C1)N(C)C ZINC001490852331 953124242 /nfs/dbraw/zinc/12/42/42/953124242.db2.gz XBYWOSUGMHRJOY-KBPBESRZSA-N 1 3 323.441 0.841 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001340114133 953145892 /nfs/dbraw/zinc/14/58/92/953145892.db2.gz TWHROXIOEGOZIY-INIZCTEOSA-N 1 3 322.497 0.910 20 0 DCADHO C[C@H](Cc1c[nH]cn1)C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341069789 953209252 /nfs/dbraw/zinc/20/92/52/953209252.db2.gz DYGXWYQNGZVQPS-CQSZACIVSA-N 1 3 307.442 0.780 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001341714684 953246627 /nfs/dbraw/zinc/24/66/27/953246627.db2.gz OPWKTMNJYPGOIX-LBPRGKRZSA-N 1 3 309.414 0.375 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001341714684 953246629 /nfs/dbraw/zinc/24/66/29/953246629.db2.gz OPWKTMNJYPGOIX-LBPRGKRZSA-N 1 3 309.414 0.375 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC001281890306 953404282 /nfs/dbraw/zinc/40/42/82/953404282.db2.gz KGIUJCHYZGPFLO-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CCN(CCn2cncn2)CC1 ZINC001365923289 953413271 /nfs/dbraw/zinc/41/32/71/953413271.db2.gz IKMBQGOBUYDUES-UHFFFAOYSA-N 1 3 308.430 0.153 20 0 DCADHO CCNC(=O)CN[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001366046434 953618682 /nfs/dbraw/zinc/61/86/82/953618682.db2.gz XWTJZFMRIVGJNH-AWEZNQCLSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366084079 953662300 /nfs/dbraw/zinc/66/23/00/953662300.db2.gz VIPVSBWTXBSTTP-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001366101037 953685338 /nfs/dbraw/zinc/68/53/38/953685338.db2.gz FNNSAWJEBONWEU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001366224549 953853100 /nfs/dbraw/zinc/85/31/00/953853100.db2.gz FAHIYZTTWAGUIV-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001366224546 953853208 /nfs/dbraw/zinc/85/32/08/953853208.db2.gz FAHIYZTTWAGUIV-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001283085384 953991512 /nfs/dbraw/zinc/99/15/12/953991512.db2.gz DJEFZNOIKNGBKE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001283085384 953991517 /nfs/dbraw/zinc/99/15/17/953991517.db2.gz DJEFZNOIKNGBKE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001366346627 954071780 /nfs/dbraw/zinc/07/17/80/954071780.db2.gz ORRLVTCRUHQMET-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)CCC[NH+]2CCCCC2)n[nH]1 ZINC001366364715 954101608 /nfs/dbraw/zinc/10/16/08/954101608.db2.gz LDKXGVCCTQHEKD-ZDUSSCGKSA-N 1 3 322.457 0.974 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001366379782 954126895 /nfs/dbraw/zinc/12/68/95/954126895.db2.gz RWBMYHOQWJBQGP-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001349111950 954605052 /nfs/dbraw/zinc/60/50/52/954605052.db2.gz SWQHTZCAKSBJBE-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001349111950 954605060 /nfs/dbraw/zinc/60/50/60/954605060.db2.gz SWQHTZCAKSBJBE-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)NCCCCCC[NH3+])C2)nn1 ZINC001349119153 954607869 /nfs/dbraw/zinc/60/78/69/954607869.db2.gz NAORODWTXRMYLH-AWEZNQCLSA-N 1 3 323.445 0.602 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366687320 954650370 /nfs/dbraw/zinc/65/03/70/954650370.db2.gz GEWUERLHBIJNIJ-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001446945655 1013128278 /nfs/dbraw/zinc/12/82/78/1013128278.db2.gz NXSCFZOQDFMTTJ-UONOGXRCSA-N 1 3 322.457 0.482 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001366765089 954798662 /nfs/dbraw/zinc/79/86/62/954798662.db2.gz DHTJBSNGDTUFTJ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001366765089 954798668 /nfs/dbraw/zinc/79/86/68/954798668.db2.gz DHTJBSNGDTUFTJ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001366765083 954801009 /nfs/dbraw/zinc/80/10/09/954801009.db2.gz DHTJBSNGDTUFTJ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001366765083 954801021 /nfs/dbraw/zinc/80/10/21/954801021.db2.gz DHTJBSNGDTUFTJ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001366775720 954827087 /nfs/dbraw/zinc/82/70/87/954827087.db2.gz JRWHAZPVFMWFCU-MJBXVCDLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC1CC1 ZINC001366775720 954827098 /nfs/dbraw/zinc/82/70/98/954827098.db2.gz JRWHAZPVFMWFCU-MJBXVCDLSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001366779038 954834454 /nfs/dbraw/zinc/83/44/54/954834454.db2.gz RCJGSNVKUYTSCG-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001366779895 954835331 /nfs/dbraw/zinc/83/53/31/954835331.db2.gz UTPGEQPDHVKCPO-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001366779895 954835346 /nfs/dbraw/zinc/83/53/46/954835346.db2.gz UTPGEQPDHVKCPO-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC)CC1 ZINC001366781976 954838191 /nfs/dbraw/zinc/83/81/91/954838191.db2.gz IPBLVIBFPCMDGZ-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCCCN1C ZINC001366812083 954872916 /nfs/dbraw/zinc/87/29/16/954872916.db2.gz IHDCVPZSBYTOOP-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001367061522 955276951 /nfs/dbraw/zinc/27/69/51/955276951.db2.gz RCQMZORETKMYRX-KGLIPLIRSA-N 1 3 320.441 0.250 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@H]1CCNC1=O ZINC001367093607 955305102 /nfs/dbraw/zinc/30/51/02/955305102.db2.gz KWZQPTYDVCQEAB-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001367179054 955434947 /nfs/dbraw/zinc/43/49/47/955434947.db2.gz CUNNKNRQUAABDM-GUYCJALGSA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001367179054 955434958 /nfs/dbraw/zinc/43/49/58/955434958.db2.gz CUNNKNRQUAABDM-GUYCJALGSA-N 1 3 324.469 0.468 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001367228115 955485890 /nfs/dbraw/zinc/48/58/90/955485890.db2.gz NHDGCHLRTPRGOS-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H](C)C(=O)N(C)C ZINC001367243133 955514115 /nfs/dbraw/zinc/51/41/15/955514115.db2.gz MWZGXEOPJBVBLF-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)ncn1)N(C)C ZINC001367276017 955571545 /nfs/dbraw/zinc/57/15/45/955571545.db2.gz ZHIGXTPELYFKQR-WFASDCNBSA-N 1 3 307.442 0.967 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001367285131 955588446 /nfs/dbraw/zinc/58/84/46/955588446.db2.gz HRROVLSLOBOWKN-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001367298543 955608668 /nfs/dbraw/zinc/60/86/68/955608668.db2.gz ZLYBHCYQUJEPDA-VXGBXAGGSA-N 1 3 310.398 0.477 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001367298543 955608680 /nfs/dbraw/zinc/60/86/80/955608680.db2.gz ZLYBHCYQUJEPDA-VXGBXAGGSA-N 1 3 310.398 0.477 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC3(CN(CCCO)C3)CC2)CC1 ZINC001367337973 955660451 /nfs/dbraw/zinc/66/04/51/955660451.db2.gz YIJAXFBAVJDYNE-UHFFFAOYSA-N 1 3 309.454 0.635 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001480460463 956003505 /nfs/dbraw/zinc/00/35/05/956003505.db2.gz VTRCLOZJHDKGTQ-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001416821853 956146770 /nfs/dbraw/zinc/14/67/70/956146770.db2.gz PKDMEBOLRAZBBL-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001353701477 956151808 /nfs/dbraw/zinc/15/18/08/956151808.db2.gz VLPGVGMHMWQIRO-QLFBSQMISA-N 1 3 323.437 0.233 20 0 DCADHO C[C@H]([NH2+]C1CC(CNC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001100404850 956197535 /nfs/dbraw/zinc/19/75/35/956197535.db2.gz XPIPPMHBXKNDKK-HSBZDZAISA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001416051668 956214817 /nfs/dbraw/zinc/21/48/17/956214817.db2.gz ZTUYCNSHEHNVFL-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001416051668 956214831 /nfs/dbraw/zinc/21/48/31/956214831.db2.gz ZTUYCNSHEHNVFL-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC001356454357 956871284 /nfs/dbraw/zinc/87/12/84/956871284.db2.gz JHROONSRJNIDAO-KGLIPLIRSA-N 1 3 324.469 0.468 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)N(C)C ZINC001292916981 957196597 /nfs/dbraw/zinc/19/65/97/957196597.db2.gz VIDFDKIMNKAHFC-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)CC[C@H]1CCC[N@H+]1C)N(C)C ZINC001292916981 957196600 /nfs/dbraw/zinc/19/66/00/957196600.db2.gz VIDFDKIMNKAHFC-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO [NH3+]Cc1nc(CC(=O)NCCCCN2CCOCC2)cs1 ZINC001357361503 957256471 /nfs/dbraw/zinc/25/64/71/957256471.db2.gz ISQHPPXHXPZZIB-UHFFFAOYSA-N 1 3 312.439 0.373 20 0 DCADHO N[C@@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)CC[C@H]1F ZINC001357590781 957324868 /nfs/dbraw/zinc/32/48/68/957324868.db2.gz MVTRZXCASLKJAJ-ZIAGYGMSSA-N 1 3 315.437 0.143 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001293384342 957360694 /nfs/dbraw/zinc/36/06/94/957360694.db2.gz PVNIBTIJPHKLOH-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001293384342 957360699 /nfs/dbraw/zinc/36/06/99/957360699.db2.gz PVNIBTIJPHKLOH-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCn1nncc1CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367405206 957776637 /nfs/dbraw/zinc/77/66/37/957776637.db2.gz WMECXZYKDBYJAA-HIFRSBDPSA-N 1 3 324.473 0.821 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001367486426 957881138 /nfs/dbraw/zinc/88/11/38/957881138.db2.gz NKIFCTYDOOMENM-HOCLYGCPSA-N 1 3 321.469 0.992 20 0 DCADHO Cc1nnc(CC(=O)N[C@H](C)C[NH2+]Cc2cnccc2C)o1 ZINC001367673284 958330321 /nfs/dbraw/zinc/33/03/21/958330321.db2.gz XSEXGYJZGWOWLQ-LLVKDONJSA-N 1 3 303.366 0.918 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001367699967 958399314 /nfs/dbraw/zinc/39/93/14/958399314.db2.gz RBGGRQQNZDTVAR-NEPJUHHUSA-N 1 3 300.447 0.336 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001367739550 958477243 /nfs/dbraw/zinc/47/72/43/958477243.db2.gz VXUHGTOSLNVAJM-YDHLFZDLSA-N 1 3 322.457 0.446 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367849538 958700160 /nfs/dbraw/zinc/70/01/60/958700160.db2.gz MGASHEVDXIFBRM-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367849538 958700188 /nfs/dbraw/zinc/70/01/88/958700188.db2.gz MGASHEVDXIFBRM-UONOGXRCSA-N 1 3 308.430 0.056 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)n[nH]1 ZINC001367886520 958777704 /nfs/dbraw/zinc/77/77/04/958777704.db2.gz LKMGFCAKRJVICB-LERXQTSPSA-N 1 3 320.441 0.438 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)n[nH]1 ZINC001367886520 958777718 /nfs/dbraw/zinc/77/77/18/958777718.db2.gz LKMGFCAKRJVICB-LERXQTSPSA-N 1 3 320.441 0.438 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001376773235 958800117 /nfs/dbraw/zinc/80/01/17/958800117.db2.gz KFCHJQNBGMNKRW-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001376853081 958983816 /nfs/dbraw/zinc/98/38/16/958983816.db2.gz FMIGMFVSSGHVBC-FZMZJTMJSA-N 1 3 310.446 0.329 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001367997027 959052821 /nfs/dbraw/zinc/05/28/21/959052821.db2.gz MADRPQQWLFYTGW-ZIAGYGMSSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001367997027 959052842 /nfs/dbraw/zinc/05/28/42/959052842.db2.gz MADRPQQWLFYTGW-ZIAGYGMSSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376951234 959191103 /nfs/dbraw/zinc/19/11/03/959191103.db2.gz BVIXNGDHGXDOCK-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001368110006 959255827 /nfs/dbraw/zinc/25/58/27/959255827.db2.gz POPARMZFCDOKPX-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001368115403 959271795 /nfs/dbraw/zinc/27/17/95/959271795.db2.gz JYQRFVKKBQOXBE-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001491858930 959316703 /nfs/dbraw/zinc/31/67/03/959316703.db2.gz MTLSFCROBYMJSI-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC)C1 ZINC001368196472 959432535 /nfs/dbraw/zinc/43/25/35/959432535.db2.gz OLYZMCCTWVKRLG-INIZCTEOSA-N 1 3 312.458 0.293 20 0 DCADHO CCn1nncc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001491991881 959481357 /nfs/dbraw/zinc/48/13/57/959481357.db2.gz DAWARALGAXMCSM-TZMCWYRMSA-N 1 3 308.430 0.377 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCCC1=O ZINC001492035208 959574385 /nfs/dbraw/zinc/57/43/85/959574385.db2.gz UDBOEHMRPDGHTP-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001368346892 959705722 /nfs/dbraw/zinc/70/57/22/959705722.db2.gz FPOBHKPJANWFIS-LSDHHAIUSA-N 1 3 321.469 0.944 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001368409316 959824021 /nfs/dbraw/zinc/82/40/21/959824021.db2.gz AKNIDSWOBVWFST-MGPQQGTHSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]CC(=O)N3CCC3)CCC2)C1 ZINC001368486146 959930539 /nfs/dbraw/zinc/93/05/39/959930539.db2.gz IFFBSSCMKVVTLL-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001368663248 960138255 /nfs/dbraw/zinc/13/82/55/960138255.db2.gz NMVORMXPPHJXQG-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368764626 960240204 /nfs/dbraw/zinc/24/02/04/960240204.db2.gz YYWCPNQEPCGVKS-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363011659 960296990 /nfs/dbraw/zinc/29/69/90/960296990.db2.gz CXWWEEZVTHZPDD-CJNGLKHVSA-N 1 3 305.426 0.468 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363011659 960296995 /nfs/dbraw/zinc/29/69/95/960296995.db2.gz CXWWEEZVTHZPDD-CJNGLKHVSA-N 1 3 305.426 0.468 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001368817751 960312550 /nfs/dbraw/zinc/31/25/50/960312550.db2.gz DBBCEZHAZSYVCO-ZALBZXLWSA-N 1 3 307.442 0.745 20 0 DCADHO CN(CCO)CCN(C)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001363047384 960342909 /nfs/dbraw/zinc/34/29/09/960342909.db2.gz GORPJVQUSJYJFA-UHFFFAOYSA-N 1 3 307.438 0.787 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)CC ZINC001378305626 960542409 /nfs/dbraw/zinc/54/24/09/960542409.db2.gz UUSOMIAMJDEXOA-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001378317502 960572751 /nfs/dbraw/zinc/57/27/51/960572751.db2.gz LUFJBCYZGHIPDE-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001378317502 960572766 /nfs/dbraw/zinc/57/27/66/960572766.db2.gz LUFJBCYZGHIPDE-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCn2cccn2)C1 ZINC001377761426 960594294 /nfs/dbraw/zinc/59/42/94/960594294.db2.gz YXEUSEUMDMKPRD-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCn2cccn2)C1 ZINC001377761426 960594304 /nfs/dbraw/zinc/59/43/04/960594304.db2.gz YXEUSEUMDMKPRD-HZPDHXFCSA-N 1 3 319.453 0.758 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001377840913 960784817 /nfs/dbraw/zinc/78/48/17/960784817.db2.gz NXBWGSFUBNQSBC-JSGCOSHPSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)N1CC[C@H]1CNC(=O)CCC[NH+](C)C)C1CCC1 ZINC001378511808 960903610 /nfs/dbraw/zinc/90/36/10/960903610.db2.gz ZLDJZPWYQKVDSD-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001377911721 960958066 /nfs/dbraw/zinc/95/80/66/960958066.db2.gz CMHDRPSGSUWDLZ-JXQTWKCFSA-N 1 3 310.442 0.186 20 0 DCADHO CCn1nncc1C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001378573208 961047406 /nfs/dbraw/zinc/04/74/06/961047406.db2.gz SEDHSTDFQJMMRU-ZDUSSCGKSA-N 1 3 322.457 0.624 20 0 DCADHO NC(=O)CNC1(CNC(=O)CCC[NH+]2CCCCC2)CCCC1 ZINC001378721188 961341116 /nfs/dbraw/zinc/34/11/16/961341116.db2.gz XIIADFJMDJYKQS-UHFFFAOYSA-N 1 3 324.469 0.756 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378775551 961454449 /nfs/dbraw/zinc/45/44/49/961454449.db2.gz MIKWQUZGFXKAJY-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001378836798 961572185 /nfs/dbraw/zinc/57/21/85/961572185.db2.gz MBHVZJCGXLEZKI-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001430246835 1013283824 /nfs/dbraw/zinc/28/38/24/1013283824.db2.gz PQWVKLMLDXOFDZ-MJBXVCDLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](C[N@H+](C)CCc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001379739149 961904465 /nfs/dbraw/zinc/90/44/65/961904465.db2.gz IENNDMDHNMYIEO-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](C[N@@H+](C)CCc1cnn(C)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001379739149 961904473 /nfs/dbraw/zinc/90/44/73/961904473.db2.gz IENNDMDHNMYIEO-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2(CNC(=O)CCC[NH+](C)C)CC2)C1 ZINC001379084359 962057590 /nfs/dbraw/zinc/05/75/90/962057590.db2.gz YXEDOJPTDFUUAW-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001379237827 962434790 /nfs/dbraw/zinc/43/47/90/962434790.db2.gz CLZQXKQMZQYJMN-BBRMVZONSA-N 1 3 315.433 0.676 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001380024701 962519107 /nfs/dbraw/zinc/51/91/07/962519107.db2.gz YOLNYOWDKVCASM-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001380024705 962520516 /nfs/dbraw/zinc/52/05/16/962520516.db2.gz YOLNYOWDKVCASM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001379373446 962763847 /nfs/dbraw/zinc/76/38/47/962763847.db2.gz PRBUEMNXEJTXQG-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001379373446 962763869 /nfs/dbraw/zinc/76/38/69/962763869.db2.gz PRBUEMNXEJTXQG-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)C1CC(NCc2ccnn2C)C1 ZINC001380166499 962805845 /nfs/dbraw/zinc/80/58/45/962805845.db2.gz AUNJTDZXQQDKLN-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001379431799 962905390 /nfs/dbraw/zinc/90/53/90/962905390.db2.gz IOIBPNIGDZYRGU-ILXRZTDVSA-N 1 3 315.458 0.351 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CCCC1)N(C)C ZINC001380325586 963039380 /nfs/dbraw/zinc/03/93/80/963039380.db2.gz UIYURQDDOKYEFH-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1)C(N)=O ZINC001379555173 963174273 /nfs/dbraw/zinc/17/42/73/963174273.db2.gz ZOMFYVFHUIKFNW-QWHCGFSZSA-N 1 3 320.437 0.372 20 0 DCADHO C[C@@H](CNCc1cccc(C(N)=O)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379596466 963238174 /nfs/dbraw/zinc/23/81/74/963238174.db2.gz GODDJULUFCGYKF-WFASDCNBSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H](CNCc1cccc(C(N)=O)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379596466 963238183 /nfs/dbraw/zinc/23/81/83/963238183.db2.gz GODDJULUFCGYKF-WFASDCNBSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H]([NH2+]CC(=O)NC1CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001380677174 963481115 /nfs/dbraw/zinc/48/11/15/963481115.db2.gz VZHMKFFRGGXZLK-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001380882429 963654072 /nfs/dbraw/zinc/65/40/72/963654072.db2.gz DIBKXGVTSVMMKY-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001380897182 963663130 /nfs/dbraw/zinc/66/31/30/963663130.db2.gz MVBNZWKLGXPNFJ-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001380897182 963663134 /nfs/dbraw/zinc/66/31/34/963663134.db2.gz MVBNZWKLGXPNFJ-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001381099386 963813725 /nfs/dbraw/zinc/81/37/25/963813725.db2.gz DTEOZOJCXYRBKK-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCC(=O)N(C)C ZINC001381123838 963830244 /nfs/dbraw/zinc/83/02/44/963830244.db2.gz OSKGXVMCVXEQLH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001375432372 964393593 /nfs/dbraw/zinc/39/35/93/964393593.db2.gz OGIKYEDLXLGDTP-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001375432372 964393609 /nfs/dbraw/zinc/39/36/09/964393609.db2.gz OGIKYEDLXLGDTP-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001375549492 964540703 /nfs/dbraw/zinc/54/07/03/964540703.db2.gz MBQFZSCYXKLLSL-RBSFLKMASA-N 1 3 320.441 0.104 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001373794436 964640738 /nfs/dbraw/zinc/64/07/38/964640738.db2.gz XWHPIJDUCUGLMG-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001369316544 964722449 /nfs/dbraw/zinc/72/24/49/964722449.db2.gz WTWMXEDNEVKFNX-OLZOCXBDSA-N 1 3 312.458 0.430 20 0 DCADHO CCN1CC[C@H](NC[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001373964771 964828706 /nfs/dbraw/zinc/82/87/06/964828706.db2.gz BHUCMRSKMIFZHU-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccccc1C)N(C)C ZINC001369386173 964872654 /nfs/dbraw/zinc/87/26/54/964872654.db2.gz WUVLQVPCGCOZTD-CVEARBPZSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@@H](CNCc1cnns1)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374017529 964894313 /nfs/dbraw/zinc/89/43/13/964894313.db2.gz IBFPNLSMYFNUIS-FZMZJTMJSA-N 1 3 323.466 0.722 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC2CC2)C[C@@H]1C ZINC001369397442 964894776 /nfs/dbraw/zinc/89/47/76/964894776.db2.gz LAAJNFPZKBQDEE-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC2CC2)C[C@H]1C ZINC001369397438 964895357 /nfs/dbraw/zinc/89/53/57/964895357.db2.gz LAAJNFPZKBQDEE-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001369398543 964897081 /nfs/dbraw/zinc/89/70/81/964897081.db2.gz GKRCAXKIIMLOAL-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)C[C@H]1C ZINC001369407096 964913552 /nfs/dbraw/zinc/91/35/52/964913552.db2.gz YORJANOTAWVROE-OCCSQVGLSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001375875101 964952301 /nfs/dbraw/zinc/95/23/01/964952301.db2.gz VRCOOIVLVITMAQ-QGZVFWFLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1[C@H](NC(=O)COC2CC[NH+](C)CC2)CCCN1CCO ZINC001369439691 964978206 /nfs/dbraw/zinc/97/82/06/964978206.db2.gz YFIXXSQCSCMTRQ-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374095987 965007495 /nfs/dbraw/zinc/00/74/95/965007495.db2.gz JHSSFDPNLNABCB-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374095987 965007519 /nfs/dbraw/zinc/00/75/19/965007519.db2.gz JHSSFDPNLNABCB-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnc(C)cn1)N(C)C ZINC001374095938 965009043 /nfs/dbraw/zinc/00/90/43/965009043.db2.gz DUSAYXGRPQWAIB-DOMZBBRYSA-N 1 3 307.442 0.967 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001374244436 965178197 /nfs/dbraw/zinc/17/81/97/965178197.db2.gz MRMHVPJHAWNSDU-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001374244436 965178202 /nfs/dbraw/zinc/17/82/02/965178202.db2.gz MRMHVPJHAWNSDU-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001369585848 965195494 /nfs/dbraw/zinc/19/54/94/965195494.db2.gz ZXTPXCDNJTZZIV-NFOMZHRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001369622742 965223930 /nfs/dbraw/zinc/22/39/30/965223930.db2.gz OZUDCZFNAXOMEY-UHFFFAOYSA-N 1 3 310.442 0.184 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374290194 965233493 /nfs/dbraw/zinc/23/34/93/965233493.db2.gz ZNOSYCDCZVVBOP-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374290194 965233504 /nfs/dbraw/zinc/23/35/04/965233504.db2.gz ZNOSYCDCZVVBOP-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1NCc1nncn1C ZINC001374387296 965334010 /nfs/dbraw/zinc/33/40/10/965334010.db2.gz SAZJGJMHVNBDDK-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(=O)NC1CC1 ZINC001374395119 965338245 /nfs/dbraw/zinc/33/82/45/965338245.db2.gz JHFLCWQNBZDTDU-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(=O)NC1CC1 ZINC001376370369 965582857 /nfs/dbraw/zinc/58/28/57/965582857.db2.gz DTLLJYAPUBTHDC-MRVWCRGKSA-N 1 3 322.453 0.375 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001376397727 965611282 /nfs/dbraw/zinc/61/12/82/965611282.db2.gz FLIQORSDWKUVRY-JYJNAYRXSA-N 1 3 321.469 0.786 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001376486736 965723853 /nfs/dbraw/zinc/72/38/53/965723853.db2.gz HATNHIRHCZTXTJ-DVOMOZLQSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001374719047 965807879 /nfs/dbraw/zinc/80/78/79/965807879.db2.gz SHBIMHBLNDMAOU-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001374719047 965807886 /nfs/dbraw/zinc/80/78/86/965807886.db2.gz SHBIMHBLNDMAOU-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCN1C ZINC001374720396 965808771 /nfs/dbraw/zinc/80/87/71/965808771.db2.gz JCOHITNQLAPEDX-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21)N(C)C ZINC001376652780 965939938 /nfs/dbraw/zinc/93/99/38/965939938.db2.gz WYVGMKFZBDDZKY-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21)N(C)C ZINC001376652780 965939948 /nfs/dbraw/zinc/93/99/48/965939948.db2.gz WYVGMKFZBDDZKY-ARKGTOAJSA-N 1 3 309.454 0.942 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001376668912 965960401 /nfs/dbraw/zinc/96/04/01/965960401.db2.gz COHPDGCWLWHFTA-SSDMNJCBSA-N 1 3 312.458 0.336 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001376671719 965963544 /nfs/dbraw/zinc/96/35/44/965963544.db2.gz DVIAWXKFROBZRG-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001376749631 966115459 /nfs/dbraw/zinc/11/54/59/966115459.db2.gz NLNFOTRDFSWQAZ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)C1CC[NH+](C)CC1 ZINC001375096499 966348868 /nfs/dbraw/zinc/34/88/68/966348868.db2.gz GEBJXXMELAJARR-CQSZACIVSA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001370676045 966363451 /nfs/dbraw/zinc/36/34/51/966363451.db2.gz IBYSMOUHLLKEDI-FRRDWIJNSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H](C)NCC(N)=O ZINC001381409243 966392533 /nfs/dbraw/zinc/39/25/33/966392533.db2.gz HTVRTGHZUGCCPS-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001370716301 966409331 /nfs/dbraw/zinc/40/93/31/966409331.db2.gz ALAKRBVVKXMBQR-XQLPTFJDSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001381468283 966441785 /nfs/dbraw/zinc/44/17/85/966441785.db2.gz JXLPIBNTZMEXFW-GFCCVEGCSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001381492474 966457330 /nfs/dbraw/zinc/45/73/30/966457330.db2.gz VHYNKIWKUQUDPQ-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001381492474 966457334 /nfs/dbraw/zinc/45/73/34/966457334.db2.gz VHYNKIWKUQUDPQ-KKUMJFAQSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(C)C ZINC001370938616 966600222 /nfs/dbraw/zinc/60/02/22/966600222.db2.gz ZFJKGDUJGZOAGA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCCC1 ZINC001381729614 966652710 /nfs/dbraw/zinc/65/27/10/966652710.db2.gz VRMJULKRVDGXCE-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+]CC(=O)NCC)CC1 ZINC001371072676 966704656 /nfs/dbraw/zinc/70/46/56/966704656.db2.gz OZDCUVHCCAHRPS-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCCC1 ZINC001371177388 966785749 /nfs/dbraw/zinc/78/57/49/966785749.db2.gz IWTIBERICXTONF-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001371205416 966811257 /nfs/dbraw/zinc/81/12/57/966811257.db2.gz SWNLJVBMIIALSY-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001381964219 966823232 /nfs/dbraw/zinc/82/32/32/966823232.db2.gz WYWGOXZAPWXYPY-JHJVBQTASA-N 1 3 310.442 0.090 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)C1 ZINC001371319253 966898323 /nfs/dbraw/zinc/89/83/23/966898323.db2.gz CMNJMBDSDWVRIV-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C)C1 ZINC001371319253 966898327 /nfs/dbraw/zinc/89/83/27/966898327.db2.gz CMNJMBDSDWVRIV-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N(C)C1CC1 ZINC001371379868 966946370 /nfs/dbraw/zinc/94/63/70/966946370.db2.gz DQIRDXRJYPFPBS-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NC(C)(C)C ZINC001382156443 966989683 /nfs/dbraw/zinc/98/96/83/966989683.db2.gz CBLKELVRQSPJRB-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001382163630 966997093 /nfs/dbraw/zinc/99/70/93/966997093.db2.gz HWTFKDIVJDZZME-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001382165823 966998532 /nfs/dbraw/zinc/99/85/32/966998532.db2.gz MTUIRTLJWPJCCO-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001371473670 967023097 /nfs/dbraw/zinc/02/30/97/967023097.db2.gz KQCXWEXVSXBBRJ-QWHCGFSZSA-N 1 3 308.430 0.200 20 0 DCADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)CC1 ZINC001371533375 967089757 /nfs/dbraw/zinc/08/97/57/967089757.db2.gz XPGZBLBTZWPBCT-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@H]1C ZINC001382300680 967186351 /nfs/dbraw/zinc/18/63/51/967186351.db2.gz CVKBEUOAHOCYRL-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@H]1C ZINC001382300680 967186357 /nfs/dbraw/zinc/18/63/57/967186357.db2.gz CVKBEUOAHOCYRL-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H](NCc2nnc(C)[nH]2)C1 ZINC001371655680 967207946 /nfs/dbraw/zinc/20/79/46/967207946.db2.gz BIKBFPQWQRLBRG-KBPBESRZSA-N 1 3 322.457 0.972 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H](NCc2nnc(C)[nH]2)C1 ZINC001371655680 967207955 /nfs/dbraw/zinc/20/79/55/967207955.db2.gz BIKBFPQWQRLBRG-KBPBESRZSA-N 1 3 322.457 0.972 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001371672663 967229272 /nfs/dbraw/zinc/22/92/72/967229272.db2.gz KCKUICHHMKWANL-OKILXGFUSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001382535640 967475888 /nfs/dbraw/zinc/47/58/88/967475888.db2.gz NOVCXCMCTKINAA-CQSZACIVSA-N 1 3 309.458 0.992 20 0 DCADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@@H]1CCCCO1 ZINC001371967280 967496758 /nfs/dbraw/zinc/49/67/58/967496758.db2.gz ABSNXHOYBWFTTF-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCc1ccnn1C ZINC001371971696 967502157 /nfs/dbraw/zinc/50/21/57/967502157.db2.gz WQGPUGRZHJYKKP-MRXNPFEDSA-N 1 3 319.453 0.352 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001372011542 967560531 /nfs/dbraw/zinc/56/05/31/967560531.db2.gz DDMAPTNPWPVWMD-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001372011542 967560539 /nfs/dbraw/zinc/56/05/39/967560539.db2.gz DDMAPTNPWPVWMD-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001382823051 967685546 /nfs/dbraw/zinc/68/55/46/967685546.db2.gz RBPMLJCORZAZAU-WDEREUQCSA-N 1 3 309.414 0.222 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](O)CC(F)(F)F ZINC001372183931 967723558 /nfs/dbraw/zinc/72/35/58/967723558.db2.gz PEUOVPZUUIJSHZ-NSHDSACASA-N 1 3 323.359 0.444 20 0 DCADHO C[C@H]1CC[C@@H](CN2CC(CNC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001373532263 969193233 /nfs/dbraw/zinc/19/32/33/969193233.db2.gz PUVMHSBOUWAZQL-ZFWWWQNUSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001373534265 969201882 /nfs/dbraw/zinc/20/18/82/969201882.db2.gz QSHWOOAVALHABM-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001448649549 1013982722 /nfs/dbraw/zinc/98/27/22/1013982722.db2.gz IQOOSVVUUMLUHQ-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)CN2CCCC2)CC[N@@H+]1C ZINC001431381827 1014023407 /nfs/dbraw/zinc/02/34/07/1014023407.db2.gz QLBPNZSKFAVNEM-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C(=O)CN2CCCC2)CC[N@H+]1C ZINC001431381827 1014023412 /nfs/dbraw/zinc/02/34/12/1014023412.db2.gz QLBPNZSKFAVNEM-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001448984724 1014118090 /nfs/dbraw/zinc/11/80/90/1014118090.db2.gz VHXRXBMXYNRLLU-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C3CC[NH2+]CC3)C2)nn1 ZINC001550096614 1014565896 /nfs/dbraw/zinc/56/58/96/1014565896.db2.gz NVFCGAQXLFTUGK-KFWWJZLASA-N 1 3 318.425 0.146 20 0 DCADHO N[C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCOCC1 ZINC001550114356 1014580597 /nfs/dbraw/zinc/58/05/97/1014580597.db2.gz BQNXXJQKAFACMU-KBPBESRZSA-N 1 3 311.426 0.015 20 0 DCADHO C[NH2+][C@H](CC(C)C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001550182801 1014613499 /nfs/dbraw/zinc/61/34/99/1014613499.db2.gz ALBFEMSLWKYZDE-ZIAGYGMSSA-N 1 3 308.430 0.534 20 0 DCADHO C[C@@]1(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CCC[NH2+]1 ZINC001550204917 1014628996 /nfs/dbraw/zinc/62/89/96/1014628996.db2.gz UTTZOQFESAYMAX-INIZCTEOSA-N 1 3 322.453 0.461 20 0 DCADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCCN(CCCO)C1 ZINC001550289180 1014652842 /nfs/dbraw/zinc/65/28/42/1014652842.db2.gz RPTNJXOLGGOIMA-WTXIUTQJSA-N 1 3 324.469 0.663 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550759681 1014850809 /nfs/dbraw/zinc/85/08/09/1014850809.db2.gz HHSZHGCHESCPRO-GJZGRUSLSA-N 1 3 324.469 0.929 20 0 DCADHO CCc1nocc1CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550913895 1014910491 /nfs/dbraw/zinc/91/04/91/1014910491.db2.gz QKFLHTXUGJTMHS-GOEBONIOSA-N 1 3 306.410 0.973 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CCC[C@H]1C ZINC001383097997 984671213 /nfs/dbraw/zinc/67/12/13/984671213.db2.gz MSTUTSPWLNHYKN-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001551461958 1015097168 /nfs/dbraw/zinc/09/71/68/1015097168.db2.gz SGZRYURUDSNYRO-HUUCEWRRSA-N 1 3 323.437 0.221 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001450385707 1015107394 /nfs/dbraw/zinc/10/73/94/1015107394.db2.gz IOUUHVWHIYKQOM-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001384102317 985363917 /nfs/dbraw/zinc/36/39/17/985363917.db2.gz HLOFZRXYGYQVIM-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)N[C@@H]1CCCN(CCCO)C1)CC2 ZINC001551566579 1015141164 /nfs/dbraw/zinc/14/11/64/1015141164.db2.gz GZUBHASQCJMALS-GYMHETDLSA-N 1 3 324.469 0.792 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001385217865 986164655 /nfs/dbraw/zinc/16/46/55/986164655.db2.gz GWZOPSHJXUJMLA-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385393939 986318670 /nfs/dbraw/zinc/31/86/70/986318670.db2.gz XTVQFWYPBVGMDR-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385393939 986318682 /nfs/dbraw/zinc/31/86/82/986318682.db2.gz XTVQFWYPBVGMDR-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001385851858 986633926 /nfs/dbraw/zinc/63/39/26/986633926.db2.gz OBWQEMNFNISFPT-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001386315425 987066602 /nfs/dbraw/zinc/06/66/02/987066602.db2.gz QTCDUYKZURXQTN-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001386315425 987066610 /nfs/dbraw/zinc/06/66/10/987066610.db2.gz QTCDUYKZURXQTN-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001552119588 1015279161 /nfs/dbraw/zinc/27/91/61/1015279161.db2.gz PXTMGQHDHCKMKM-DTZQCDIJSA-N 1 3 322.453 0.510 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001552119588 1015279164 /nfs/dbraw/zinc/27/91/64/1015279164.db2.gz PXTMGQHDHCKMKM-DTZQCDIJSA-N 1 3 322.453 0.510 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001387139726 987655880 /nfs/dbraw/zinc/65/58/80/987655880.db2.gz BRINXOZMZFEZJB-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001387139726 987655883 /nfs/dbraw/zinc/65/58/83/987655883.db2.gz BRINXOZMZFEZJB-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)C1(N(C)C)CCC1 ZINC001387212151 987709306 /nfs/dbraw/zinc/70/93/06/987709306.db2.gz VLMJSGNXHOHEKM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)C1(N(C)C)CCC1 ZINC001387212151 987709313 /nfs/dbraw/zinc/70/93/13/987709313.db2.gz VLMJSGNXHOHEKM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001387377173 987796006 /nfs/dbraw/zinc/79/60/06/987796006.db2.gz BBNNIKINMOBEDP-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001387655986 987980541 /nfs/dbraw/zinc/98/05/41/987980541.db2.gz WMZBHTZHNKRWQW-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001387655986 987980548 /nfs/dbraw/zinc/98/05/48/987980548.db2.gz WMZBHTZHNKRWQW-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001387655987 987980674 /nfs/dbraw/zinc/98/06/74/987980674.db2.gz WMZBHTZHNKRWQW-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001387655987 987980679 /nfs/dbraw/zinc/98/06/79/987980679.db2.gz WMZBHTZHNKRWQW-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001387743456 988109163 /nfs/dbraw/zinc/10/91/63/988109163.db2.gz MRSBFTITVJTQLG-AWEZNQCLSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC001387750735 988115287 /nfs/dbraw/zinc/11/52/87/988115287.db2.gz NDBCMOXZFZQQKY-IUODEOHRSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC001387750735 988115290 /nfs/dbraw/zinc/11/52/90/988115290.db2.gz NDBCMOXZFZQQKY-IUODEOHRSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001388729853 988544434 /nfs/dbraw/zinc/54/44/34/988544434.db2.gz YPRABGLRQVYQLH-RBSFLKMASA-N 1 3 322.453 0.045 20 0 DCADHO Cc1c(C(=O)N(C)C2CCN(C)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436833 1015435815 /nfs/dbraw/zinc/43/58/15/1015435815.db2.gz SIIPUONUSAXZFC-ZDUSSCGKSA-N 1 3 306.414 0.287 20 0 DCADHO NC1(C(=O)NCc2cn(C3CC[NH2+]CC3)nn2)CC2(CCC2)C1 ZINC001552439051 1015439043 /nfs/dbraw/zinc/43/90/43/1015439043.db2.gz VMGAMAKWVXXUHZ-UHFFFAOYSA-N 1 3 318.425 0.480 20 0 DCADHO C[C@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)CCC[NH+](C)C ZINC001389259757 989042841 /nfs/dbraw/zinc/04/28/41/989042841.db2.gz NJNMCSUTBVODAU-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC001389308222 989098311 /nfs/dbraw/zinc/09/83/11/989098311.db2.gz CUIBOMRWBPFHEB-AWEZNQCLSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nc(CN[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)n[nH]1 ZINC001389646743 989459997 /nfs/dbraw/zinc/45/99/97/989459997.db2.gz ICJIRMGPRWRZMA-CYBMUJFWSA-N 1 3 320.441 0.439 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001389791337 989581153 /nfs/dbraw/zinc/58/11/53/989581153.db2.gz GHPSQOJPGGZCQR-UHFFFAOYSA-N 1 3 324.469 0.243 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001389827649 989617817 /nfs/dbraw/zinc/61/78/17/989617817.db2.gz RCLLZZAPHOVLNY-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)C1)C1CCC1 ZINC001389854549 989639780 /nfs/dbraw/zinc/63/97/80/989639780.db2.gz KJWBPIKFYFVIFZ-HDJSIYSDSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001389883726 989661416 /nfs/dbraw/zinc/66/14/16/989661416.db2.gz IWRXHFAJGDYJEC-KKUMJFAQSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCO1 ZINC001552699041 1015497145 /nfs/dbraw/zinc/49/71/45/1015497145.db2.gz JVFJUZGEQUTXFD-ZDUSSCGKSA-N 1 3 321.425 0.279 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn([C@H]3CCCC[C@@H]3[NH3+])nn2)C1 ZINC001552701065 1015498104 /nfs/dbraw/zinc/49/81/04/1015498104.db2.gz MHEXEEYFHHJCER-YDHLFZDLSA-N 1 3 320.441 0.935 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001390593322 990229435 /nfs/dbraw/zinc/22/94/35/990229435.db2.gz OJGWTZZHVMGTOJ-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001390609249 990241737 /nfs/dbraw/zinc/24/17/37/990241737.db2.gz HIUASGFRZUGWMW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nnc(CN[C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001390616450 990248366 /nfs/dbraw/zinc/24/83/66/990248366.db2.gz QOPPZJMAQLZPRU-UONOGXRCSA-N 1 3 322.457 0.972 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001451047673 1015557028 /nfs/dbraw/zinc/55/70/28/1015557028.db2.gz HXEPWXMRPOCOBD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001451047673 1015557033 /nfs/dbraw/zinc/55/70/33/1015557033.db2.gz HXEPWXMRPOCOBD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CCn1cccn1 ZINC001390903552 990469439 /nfs/dbraw/zinc/46/94/39/990469439.db2.gz BWCGLCWGBPCVDD-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CCn1cccn1 ZINC001390903552 990469443 /nfs/dbraw/zinc/46/94/43/990469443.db2.gz BWCGLCWGBPCVDD-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001391062174 990550887 /nfs/dbraw/zinc/55/08/87/990550887.db2.gz LUWFYWRXJRMUMZ-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO CC[C@@H](C(=O)N1CCC(CC[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001391812720 991196729 /nfs/dbraw/zinc/19/67/29/991196729.db2.gz CDYSWMLDVULTLA-JSGCOSHPSA-N 1 3 312.458 0.419 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001391953056 991323710 /nfs/dbraw/zinc/32/37/10/991323710.db2.gz WSRZOXWHBIONGQ-UKRRQHHQSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001391953056 991323721 /nfs/dbraw/zinc/32/37/21/991323721.db2.gz WSRZOXWHBIONGQ-UKRRQHHQSA-N 1 3 319.453 0.969 20 0 DCADHO C[C@@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392134858 991532901 /nfs/dbraw/zinc/53/29/01/991532901.db2.gz PRFHPTHHGBAZJV-WCQYABFASA-N 1 3 320.441 0.570 20 0 DCADHO C[C@@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392134858 991532914 /nfs/dbraw/zinc/53/29/14/991532914.db2.gz PRFHPTHHGBAZJV-WCQYABFASA-N 1 3 320.441 0.570 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1CNCC(N)=O ZINC001392199040 991598007 /nfs/dbraw/zinc/59/80/07/991598007.db2.gz VTWBQSWSZINEOJ-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1cnns1 ZINC001392349520 991789678 /nfs/dbraw/zinc/78/96/78/991789678.db2.gz WIJMPRFHLJFVLQ-WCQYABFASA-N 1 3 311.455 0.864 20 0 DCADHO CCN1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001392450538 991943519 /nfs/dbraw/zinc/94/35/19/991943519.db2.gz WPFRBKNWQXWKOO-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392504907 992020629 /nfs/dbraw/zinc/02/06/29/992020629.db2.gz LCXWXZDCUYKTEZ-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001392597742 992142270 /nfs/dbraw/zinc/14/22/70/992142270.db2.gz SYUAKVKNTHHHKV-DCAQKATOSA-N 1 3 313.364 0.734 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001392609349 992156530 /nfs/dbraw/zinc/15/65/30/992156530.db2.gz ZNEHUKONANNNPM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001392609349 992156534 /nfs/dbraw/zinc/15/65/34/992156534.db2.gz ZNEHUKONANNNPM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](C[N@H+](C)CCc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001392657431 992219158 /nfs/dbraw/zinc/21/91/58/992219158.db2.gz ALFBSEJWYMIVMD-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](C[N@@H+](C)CCc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001392657431 992219166 /nfs/dbraw/zinc/21/91/66/992219166.db2.gz ALFBSEJWYMIVMD-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392813782 992420355 /nfs/dbraw/zinc/42/03/55/992420355.db2.gz SYBBRYFSZUULOK-GDBMZVCRSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392813782 992420362 /nfs/dbraw/zinc/42/03/62/992420362.db2.gz SYBBRYFSZUULOK-GDBMZVCRSA-N 1 3 319.453 0.665 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001393042601 992645237 /nfs/dbraw/zinc/64/52/37/992645237.db2.gz ABDZQYHWQKILHZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001393042601 992645239 /nfs/dbraw/zinc/64/52/39/992645239.db2.gz ABDZQYHWQKILHZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001393042054 992645670 /nfs/dbraw/zinc/64/56/70/992645670.db2.gz XGQDKVOGQFPBRU-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001393053192 992653299 /nfs/dbraw/zinc/65/32/99/992653299.db2.gz UDYITWOSQQJZJB-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001393055727 992655275 /nfs/dbraw/zinc/65/52/75/992655275.db2.gz QEFIRLXMJGRGCB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001393156069 992720334 /nfs/dbraw/zinc/72/03/34/992720334.db2.gz ATIKYYSOPBDMTN-KRWDZBQOSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H](NCc1ccn(C)n1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393386401 992936206 /nfs/dbraw/zinc/93/62/06/992936206.db2.gz NJVTYFOOZSGZCA-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001393407493 992954773 /nfs/dbraw/zinc/95/47/73/992954773.db2.gz FAAVUSUCSGVITF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001393407493 992954776 /nfs/dbraw/zinc/95/47/76/992954776.db2.gz FAAVUSUCSGVITF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001393473665 993020430 /nfs/dbraw/zinc/02/04/30/993020430.db2.gz NMTIDYHZDDNBOP-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCC(=O)NC3CC3)CCC2)C1 ZINC001393566045 993088183 /nfs/dbraw/zinc/08/81/83/993088183.db2.gz ISPDEXUTHVSLCT-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCC(=O)NC3CC3)CCC2)C1 ZINC001393566045 993088189 /nfs/dbraw/zinc/08/81/89/993088189.db2.gz ISPDEXUTHVSLCT-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001393582476 993103080 /nfs/dbraw/zinc/10/30/80/993103080.db2.gz DABUIDLGIPKXDE-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CN(CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001393650131 993157047 /nfs/dbraw/zinc/15/70/47/993157047.db2.gz ZVZSQKBTHOTIAN-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001393650131 993157053 /nfs/dbraw/zinc/15/70/53/993157053.db2.gz ZVZSQKBTHOTIAN-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)N(C)CCn1cncn1)[NH+](C)C ZINC001394076216 993457692 /nfs/dbraw/zinc/45/76/92/993457692.db2.gz LEWZRKWIPVJZCM-KBPBESRZSA-N 1 3 310.446 0.301 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001394139077 993508938 /nfs/dbraw/zinc/50/89/38/993508938.db2.gz VVQPYJGWHXSVMG-WFASDCNBSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001394139077 993508941 /nfs/dbraw/zinc/50/89/41/993508941.db2.gz VVQPYJGWHXSVMG-WFASDCNBSA-N 1 3 322.457 0.283 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCCC1)N(C)C ZINC001394189012 993533423 /nfs/dbraw/zinc/53/34/23/993533423.db2.gz RVMKBRCCLNDQRI-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCCC1)N(C)C ZINC001394197804 993537168 /nfs/dbraw/zinc/53/71/68/993537168.db2.gz RVMKBRCCLNDQRI-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001394304498 993609364 /nfs/dbraw/zinc/60/93/64/993609364.db2.gz BKEJEWQCATTWPB-MRXNPFEDSA-N 1 3 312.458 0.387 20 0 DCADHO Cc1nc(CNC[C@@H](C2CC2)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001394437386 993704447 /nfs/dbraw/zinc/70/44/47/993704447.db2.gz CSJWACPKOKPRMN-ZDUSSCGKSA-N 1 3 308.430 0.391 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001394442202 993711126 /nfs/dbraw/zinc/71/11/26/993711126.db2.gz XQJOTWAGOGAGOT-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC001394447677 993714671 /nfs/dbraw/zinc/71/46/71/993714671.db2.gz BZLIGYPBMZVKSU-DZGCQCFKSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC001394447677 993714676 /nfs/dbraw/zinc/71/46/76/993714676.db2.gz BZLIGYPBMZVKSU-DZGCQCFKSA-N 1 3 322.453 0.043 20 0 DCADHO Cc1nc([C@@H](C)N[C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001394516388 993791053 /nfs/dbraw/zinc/79/10/53/993791053.db2.gz CYQBRIHUAFGSPT-VXGBXAGGSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001394547415 993817982 /nfs/dbraw/zinc/81/79/82/993817982.db2.gz ZTXHNOZEXQOFGV-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCn1cncn1 ZINC001399827900 993820124 /nfs/dbraw/zinc/82/01/24/993820124.db2.gz VQTNTEMQOOQOOU-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)NCc1ccc2c(c1)CCC2 ZINC001394618165 993919405 /nfs/dbraw/zinc/91/94/05/993919405.db2.gz IWQJNYQCXVEGQM-QGZVFWFLSA-N 1 3 319.449 0.694 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CCC[NH+]1CCCC1 ZINC001394667029 993994681 /nfs/dbraw/zinc/99/46/81/993994681.db2.gz HHHDWYRFHFJUFI-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)CC)C[C@H]1C ZINC001394667139 993995577 /nfs/dbraw/zinc/99/55/77/993995577.db2.gz HSQFPVITVKMFCD-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001400053753 994108389 /nfs/dbraw/zinc/10/83/89/994108389.db2.gz NBLJYCSWPJFQBC-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001400053753 994108394 /nfs/dbraw/zinc/10/83/94/994108394.db2.gz NBLJYCSWPJFQBC-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](F)CNC[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001394762355 994116429 /nfs/dbraw/zinc/11/64/29/994116429.db2.gz YUEJKJKOQBLOOO-GJZGRUSLSA-N 1 3 317.449 0.875 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001400086098 994143413 /nfs/dbraw/zinc/14/34/13/994143413.db2.gz MLMPMIKRUSUPTK-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001400086098 994143419 /nfs/dbraw/zinc/14/34/19/994143419.db2.gz MLMPMIKRUSUPTK-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001400099849 994154525 /nfs/dbraw/zinc/15/45/25/994154525.db2.gz KSCGMGRXJCFAGF-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001400099849 994154533 /nfs/dbraw/zinc/15/45/33/994154533.db2.gz KSCGMGRXJCFAGF-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001400187717 994254194 /nfs/dbraw/zinc/25/41/94/994254194.db2.gz VDXXVKLRQGSQDC-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001400187717 994254204 /nfs/dbraw/zinc/25/42/04/994254204.db2.gz VDXXVKLRQGSQDC-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO CCN(C)C(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001400187370 994255616 /nfs/dbraw/zinc/25/56/16/994255616.db2.gz RXOJXAXXLKLGKU-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCN(C)C(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001400187370 994255625 /nfs/dbraw/zinc/25/56/25/994255625.db2.gz RXOJXAXXLKLGKU-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)[C@@H](C)C(N)=O)CC1)N(C)C ZINC001400243616 994330931 /nfs/dbraw/zinc/33/09/31/994330931.db2.gz BTWCFXAEVDPIBM-GXTWGEPZSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)[C@@H](C)C(N)=O)CC1)N(C)C ZINC001400243616 994330934 /nfs/dbraw/zinc/33/09/34/994330934.db2.gz BTWCFXAEVDPIBM-GXTWGEPZSA-N 1 3 312.458 0.371 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001395311574 994583010 /nfs/dbraw/zinc/58/30/10/994583010.db2.gz QYTFOGOYDRHZMW-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001395311574 994583020 /nfs/dbraw/zinc/58/30/20/994583020.db2.gz QYTFOGOYDRHZMW-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001395313286 994585992 /nfs/dbraw/zinc/58/59/92/994585992.db2.gz UPPGWOISDLJMJS-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@@H](C)C(N)=O ZINC001400853788 995008656 /nfs/dbraw/zinc/00/86/56/995008656.db2.gz KLFZYLCVMQTMGN-SWLSCSKDSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001400901624 995050649 /nfs/dbraw/zinc/05/06/49/995050649.db2.gz RWTYNSHCNYABJS-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001400901624 995050659 /nfs/dbraw/zinc/05/06/59/995050659.db2.gz RWTYNSHCNYABJS-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001401085948 995161527 /nfs/dbraw/zinc/16/15/27/995161527.db2.gz BLZVEVIYMNKJEC-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001396485414 995426274 /nfs/dbraw/zinc/42/62/74/995426274.db2.gz XYZZLEKNTCPXHV-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001396485414 995426276 /nfs/dbraw/zinc/42/62/76/995426276.db2.gz XYZZLEKNTCPXHV-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001396940110 995695427 /nfs/dbraw/zinc/69/54/27/995695427.db2.gz WNPFRXRGDITWGM-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001397129896 995813166 /nfs/dbraw/zinc/81/31/66/995813166.db2.gz FOWISLCDULYCLC-UMVBOHGHSA-N 1 3 322.457 0.386 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](CNCC(=O)N(C)C)C1 ZINC001397169414 995838798 /nfs/dbraw/zinc/83/87/98/995838798.db2.gz KVVRQEYSHBHYKV-ILXRZTDVSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H](CNCC(=O)N(C)C)C1 ZINC001397169414 995838803 /nfs/dbraw/zinc/83/88/03/995838803.db2.gz KVVRQEYSHBHYKV-ILXRZTDVSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001397217479 995869301 /nfs/dbraw/zinc/86/93/01/995869301.db2.gz NIYRIFJNRPLKBV-KFWWJZLASA-N 1 3 320.437 0.894 20 0 DCADHO C[C@@H](O)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001397217479 995869305 /nfs/dbraw/zinc/86/93/05/995869305.db2.gz NIYRIFJNRPLKBV-KFWWJZLASA-N 1 3 320.437 0.894 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCCC[C@@H](NCC(=O)NC)C1 ZINC001397227751 995874353 /nfs/dbraw/zinc/87/43/53/995874353.db2.gz OQHUMUGDRFTLRG-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCCC[C@@H](NCC(=O)NC)C1 ZINC001397227751 995874354 /nfs/dbraw/zinc/87/43/54/995874354.db2.gz OQHUMUGDRFTLRG-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nc([C@H](C)N[C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001507116320 1015998523 /nfs/dbraw/zinc/99/85/23/1015998523.db2.gz FJPGYQADIIBKLU-NEPJUHHUSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1ccnn1C ZINC001507125316 1016005337 /nfs/dbraw/zinc/00/53/37/1016005337.db2.gz HPEQVHMAVRDVFA-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCc1ccnn1C ZINC001507125316 1016005347 /nfs/dbraw/zinc/00/53/47/1016005347.db2.gz HPEQVHMAVRDVFA-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001397724226 996144777 /nfs/dbraw/zinc/14/47/77/996144777.db2.gz LNAUWTJNKXCELZ-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001397773177 996168187 /nfs/dbraw/zinc/16/81/87/996168187.db2.gz MYUMDGMJXPEARP-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001507131205 1016011823 /nfs/dbraw/zinc/01/18/23/1016011823.db2.gz XJPIYENXOHXBPO-OLZOCXBDSA-N 1 3 321.425 0.305 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001507149341 1016031566 /nfs/dbraw/zinc/03/15/66/1016031566.db2.gz OYVQWLPWEQUPPT-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001398222423 996418675 /nfs/dbraw/zinc/41/86/75/996418675.db2.gz CLHVKLJWIBCVKV-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001398222423 996418676 /nfs/dbraw/zinc/41/86/76/996418676.db2.gz CLHVKLJWIBCVKV-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)CC[NH+](C)C)C2CC2)cn1 ZINC001398436192 996513855 /nfs/dbraw/zinc/51/38/55/996513855.db2.gz QXVXNZRWXVKOAE-HNNXBMFYSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)N(C)C)C1 ZINC001398767113 996679009 /nfs/dbraw/zinc/67/90/09/996679009.db2.gz YDQPNFQBGIDBDI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)COC)N(C)C ZINC001398770265 996680748 /nfs/dbraw/zinc/68/07/48/996680748.db2.gz RVWLOSHUBPMGPU-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001398800751 996693960 /nfs/dbraw/zinc/69/39/60/996693960.db2.gz ZSFNOLZMGHHZLC-UHFFFAOYSA-N 1 3 321.425 0.177 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCCN(C)C1=O ZINC001399037382 996873800 /nfs/dbraw/zinc/87/38/00/996873800.db2.gz MRORJRDRESTMTD-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001399128382 997011370 /nfs/dbraw/zinc/01/13/70/997011370.db2.gz XFCAQNCKXGLTTH-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001399128382 997011385 /nfs/dbraw/zinc/01/13/85/997011385.db2.gz XFCAQNCKXGLTTH-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC(N)=O ZINC001399389151 997299384 /nfs/dbraw/zinc/29/93/84/997299384.db2.gz JHUMUFWGAKUZRK-NHYWBVRUSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001405282438 998058060 /nfs/dbraw/zinc/05/80/60/998058060.db2.gz DBILLYFFGUPCMF-GXTWGEPZSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001507252348 1016184795 /nfs/dbraw/zinc/18/47/95/1016184795.db2.gz JFGUSVPACJVCMF-IRXDYDNUSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001507252348 1016184800 /nfs/dbraw/zinc/18/48/00/1016184800.db2.gz JFGUSVPACJVCMF-IRXDYDNUSA-N 1 3 319.449 0.904 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001405387915 998181328 /nfs/dbraw/zinc/18/13/28/998181328.db2.gz NMANDGMMWRHQRJ-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001405538639 998309797 /nfs/dbraw/zinc/30/97/97/998309797.db2.gz XRSLUNGMBPVKGI-AAEUAGOBSA-N 1 3 307.398 0.010 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCCNC1=O ZINC001405658603 998444637 /nfs/dbraw/zinc/44/46/37/998444637.db2.gz BSNGTIGIUVXZCY-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C[C@H]1C ZINC001507327270 1016254710 /nfs/dbraw/zinc/25/47/10/1016254710.db2.gz IRYNYZAVDKRZOM-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001507446921 1016335226 /nfs/dbraw/zinc/33/52/26/1016335226.db2.gz FYLSFIBHPXKQTB-GXTWGEPZSA-N 1 3 308.426 0.940 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001401155534 1000234999 /nfs/dbraw/zinc/23/49/99/1000234999.db2.gz QZZQTYLPSFCQJR-UONOGXRCSA-N 1 3 322.457 0.448 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)C1=O ZINC001401222742 1000286289 /nfs/dbraw/zinc/28/62/89/1000286289.db2.gz UPTBZPFDNIVJHO-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1ccn(C)n1 ZINC001401298131 1000337380 /nfs/dbraw/zinc/33/73/80/1000337380.db2.gz ODWYPACEUNSVRF-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001401441911 1000427255 /nfs/dbraw/zinc/42/72/55/1000427255.db2.gz VXFIHODBECGSSO-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001401441911 1000427258 /nfs/dbraw/zinc/42/72/58/1000427258.db2.gz VXFIHODBECGSSO-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001401492520 1000448670 /nfs/dbraw/zinc/44/86/70/1000448670.db2.gz NNSWSFZTBQHSQH-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC[NH2+][C@@H]1CCN(C2CCC2)C1=O)C(=O)[C@@H]1CCCN1C ZINC001418806432 1000535692 /nfs/dbraw/zinc/53/56/92/1000535692.db2.gz CLXQJTXKGZEIIC-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CCN(CCN[C@@H]1CCN(C(C)C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401604010 1000539903 /nfs/dbraw/zinc/53/99/03/1000539903.db2.gz ACVCPGGZPICAGK-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@@H]1CCN(C(C)C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401604010 1000539911 /nfs/dbraw/zinc/53/99/11/1000539911.db2.gz ACVCPGGZPICAGK-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001418829274 1000555833 /nfs/dbraw/zinc/55/58/33/1000555833.db2.gz MGLYCXKFWRXMCA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001418829274 1000555836 /nfs/dbraw/zinc/55/58/36/1000555836.db2.gz MGLYCXKFWRXMCA-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001401776346 1000714086 /nfs/dbraw/zinc/71/40/86/1000714086.db2.gz FTFZERDTINWHEE-GFCCVEGCSA-N 1 3 310.446 0.283 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+]Cc1cncn1C)C1CC1)C1CCC1 ZINC001401840556 1000776261 /nfs/dbraw/zinc/77/62/61/1000776261.db2.gz AHRSJHUYQVMYKS-MRXNPFEDSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cnn(C)n1 ZINC001401858595 1000794291 /nfs/dbraw/zinc/79/42/91/1000794291.db2.gz BCIUYGDYBLWDTP-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)N1CCC1 ZINC001419209681 1000882760 /nfs/dbraw/zinc/88/27/60/1000882760.db2.gz ZTNBSMHRVWMZGF-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)N1CCC1 ZINC001419209681 1000882762 /nfs/dbraw/zinc/88/27/62/1000882762.db2.gz ZTNBSMHRVWMZGF-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@H](O)CNCc1cncc(F)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507563729 1016455813 /nfs/dbraw/zinc/45/58/13/1016455813.db2.gz UDMGTAOEBGGHHC-DZGCQCFKSA-N 1 3 324.400 0.081 20 0 DCADHO CN(C[C@H](O)CNCc1cncc(F)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507563729 1016455823 /nfs/dbraw/zinc/45/58/23/1016455823.db2.gz UDMGTAOEBGGHHC-DZGCQCFKSA-N 1 3 324.400 0.081 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001419276868 1000942177 /nfs/dbraw/zinc/94/21/77/1000942177.db2.gz NLWJZWCOOFUTIC-LSDHHAIUSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001402057300 1000980441 /nfs/dbraw/zinc/98/04/41/1000980441.db2.gz WIGKCOZSRLQDDX-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1)N1CCCCCC1 ZINC001419338863 1000986159 /nfs/dbraw/zinc/98/61/59/1000986159.db2.gz COGDVEGOOMDZJZ-SUMWQHHRSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001402072667 1000993782 /nfs/dbraw/zinc/99/37/82/1000993782.db2.gz IDFFONHBESWNIV-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCCC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(N)=O ZINC001402084898 1001004150 /nfs/dbraw/zinc/00/41/50/1001004150.db2.gz YUAJOXHEVVMEHZ-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](C)NC(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001419422753 1001037396 /nfs/dbraw/zinc/03/73/96/1001037396.db2.gz LJURAQBOLDVGKS-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001419433985 1001046192 /nfs/dbraw/zinc/04/61/92/1001046192.db2.gz VLSLOGDWCBKRRA-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cnn(C)c1 ZINC001419467971 1001076063 /nfs/dbraw/zinc/07/60/63/1001076063.db2.gz JPVZXIICCKBGBZ-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001419469725 1001078278 /nfs/dbraw/zinc/07/82/78/1001078278.db2.gz QSIUKIHXXTWGCR-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNCc1cc2n(n1)CCC2)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419545624 1001128446 /nfs/dbraw/zinc/12/84/46/1001128446.db2.gz QNPXKOWQNQFXND-UONOGXRCSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@@H](CNCc1cc2n(n1)CCC2)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419545624 1001128450 /nfs/dbraw/zinc/12/84/50/1001128450.db2.gz QNPXKOWQNQFXND-UONOGXRCSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@H](F)CC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001402281895 1001175976 /nfs/dbraw/zinc/17/59/76/1001175976.db2.gz XJMRTQJWKFOGJX-XJKSGUPXSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001402281895 1001175979 /nfs/dbraw/zinc/17/59/79/1001175979.db2.gz XJMRTQJWKFOGJX-XJKSGUPXSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001419736336 1001264842 /nfs/dbraw/zinc/26/48/42/1001264842.db2.gz GSVDTIBGQXOKEN-WCFLWFBJSA-N 1 3 308.430 0.438 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001419736336 1001264846 /nfs/dbraw/zinc/26/48/46/1001264846.db2.gz GSVDTIBGQXOKEN-WCFLWFBJSA-N 1 3 308.430 0.438 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001402396062 1001277911 /nfs/dbraw/zinc/27/79/11/1001277911.db2.gz CDODRKCVFUYALA-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCC(=O)N1CCCCC1 ZINC001419820798 1001332907 /nfs/dbraw/zinc/33/29/07/1001332907.db2.gz JHQAOKRLWZWIRB-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](F)CCN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402474859 1001343847 /nfs/dbraw/zinc/34/38/47/1001343847.db2.gz XHVKRCLUXSVPLF-DZGCQCFKSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CNCC(N)=O ZINC001419849046 1001354356 /nfs/dbraw/zinc/35/43/56/1001354356.db2.gz RGIYVBREDJJSSE-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)N2CCC2)C1 ZINC001419851638 1001355431 /nfs/dbraw/zinc/35/54/31/1001355431.db2.gz WRIGYRPHFZYDHG-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)N2CCC2)C1 ZINC001419851638 1001355433 /nfs/dbraw/zinc/35/54/33/1001355433.db2.gz WRIGYRPHFZYDHG-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)N2CCC2)C1 ZINC001419851630 1001355807 /nfs/dbraw/zinc/35/58/07/1001355807.db2.gz WRIGYRPHFZYDHG-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)N2CCC2)C1 ZINC001419851630 1001355813 /nfs/dbraw/zinc/35/58/13/1001355813.db2.gz WRIGYRPHFZYDHG-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001402518780 1001379444 /nfs/dbraw/zinc/37/94/44/1001379444.db2.gz WCIZBZAMLURNIS-XDQVBPFNSA-N 1 3 310.442 0.184 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402528808 1001385832 /nfs/dbraw/zinc/38/58/32/1001385832.db2.gz LONIPZJDTIVPBH-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402613868 1001441273 /nfs/dbraw/zinc/44/12/73/1001441273.db2.gz RWBRSYBTGYWZIS-TXEJJXNPSA-N 1 3 323.466 0.925 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001402751824 1001490060 /nfs/dbraw/zinc/49/00/60/1001490060.db2.gz BZRNIGNDUMBBRA-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001402751824 1001490062 /nfs/dbraw/zinc/49/00/62/1001490062.db2.gz BZRNIGNDUMBBRA-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccnn1C ZINC001402884772 1001555739 /nfs/dbraw/zinc/55/57/39/1001555739.db2.gz AXTVYRHBOUALJR-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccnn1C ZINC001402884772 1001555744 /nfs/dbraw/zinc/55/57/44/1001555744.db2.gz AXTVYRHBOUALJR-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1ncc(CN[C@@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001505733291 1016506295 /nfs/dbraw/zinc/50/62/95/1016506295.db2.gz RBFZPGJSNNFLTA-QWHCGFSZSA-N 1 3 317.437 0.864 20 0 DCADHO CNC(=O)C[NH2+]CC1CC(NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001402936301 1001589188 /nfs/dbraw/zinc/58/91/88/1001589188.db2.gz ZTSMPQKBDRQDMP-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(C)(C)C ZINC001403041153 1001643249 /nfs/dbraw/zinc/64/32/49/1001643249.db2.gz GYEJQZDKCXHBFJ-VXGBXAGGSA-N 1 3 300.447 0.336 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001403079827 1001664988 /nfs/dbraw/zinc/66/49/88/1001664988.db2.gz HRUYNSLFKMSOPA-QWHCGFSZSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001403218350 1001741625 /nfs/dbraw/zinc/74/16/25/1001741625.db2.gz XHWVWGNFAFVROB-UONOGXRCSA-N 1 3 320.441 0.296 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001403252165 1001762915 /nfs/dbraw/zinc/76/29/15/1001762915.db2.gz WPPYYGBYJQEULN-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001403256562 1001765582 /nfs/dbraw/zinc/76/55/82/1001765582.db2.gz JAUMVEVPFDWBGG-CQSZACIVSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)NCc1nccn1C)[NH+](C)C ZINC001420109864 1001880742 /nfs/dbraw/zinc/88/07/42/1001880742.db2.gz WTBMKRFZQSLTAR-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO Cc1nccnc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001403363028 1001882734 /nfs/dbraw/zinc/88/27/34/1001882734.db2.gz SLSLJJUFGAWIJE-WFASDCNBSA-N 1 3 305.426 0.864 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCC[C@@H]2NC(=O)CCC[NH+](C)C)[nH]1 ZINC001420119222 1001906050 /nfs/dbraw/zinc/90/60/50/1001906050.db2.gz NAYUQWDGVKXQID-KBPBESRZSA-N 1 3 322.457 0.829 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1ccnn1C ZINC001420226536 1002076973 /nfs/dbraw/zinc/07/69/73/1002076973.db2.gz WVQAYZHTIXFOGY-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1ccnn1C ZINC001420226536 1002076985 /nfs/dbraw/zinc/07/69/85/1002076985.db2.gz WVQAYZHTIXFOGY-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]2CNC(=O)CCC[NH+](C)C)C1 ZINC001505851608 1016612018 /nfs/dbraw/zinc/61/20/18/1016612018.db2.gz VPROIWQQEKQNDK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420418195 1002386520 /nfs/dbraw/zinc/38/65/20/1002386520.db2.gz DGYRQFUFMNMRKF-GZBFAFLISA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420418195 1002386531 /nfs/dbraw/zinc/38/65/31/1002386531.db2.gz DGYRQFUFMNMRKF-GZBFAFLISA-N 1 3 324.469 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@@H]1C ZINC001403749651 1002464257 /nfs/dbraw/zinc/46/42/57/1002464257.db2.gz LYCRUGJPEPPALT-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@@H]1C ZINC001403749651 1002464265 /nfs/dbraw/zinc/46/42/65/1002464265.db2.gz LYCRUGJPEPPALT-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)C(C)(C)C1)N(C)C ZINC001403832509 1002596837 /nfs/dbraw/zinc/59/68/37/1002596837.db2.gz VVCVPCYXPJYTGB-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CC1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1NCC(N)=O ZINC001403831942 1002598067 /nfs/dbraw/zinc/59/80/67/1002598067.db2.gz IOUQRIJKDYFHJJ-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001425419380 1002658469 /nfs/dbraw/zinc/65/84/69/1002658469.db2.gz NOTSVPKUIZXKKW-MGPQQGTHSA-N 1 3 324.469 0.609 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001403894689 1002693708 /nfs/dbraw/zinc/69/37/08/1002693708.db2.gz IHBPWTSMCOCVRJ-CZUORRHYSA-N 1 3 317.449 0.970 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001403894689 1002693721 /nfs/dbraw/zinc/69/37/21/1002693721.db2.gz IHBPWTSMCOCVRJ-CZUORRHYSA-N 1 3 317.449 0.970 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCn1cccn1 ZINC001403927671 1002757362 /nfs/dbraw/zinc/75/73/62/1002757362.db2.gz XCGIVDCLHVVQKF-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCn1cccn1 ZINC001403927671 1002757371 /nfs/dbraw/zinc/75/73/71/1002757371.db2.gz XCGIVDCLHVVQKF-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001420745720 1002909304 /nfs/dbraw/zinc/90/93/04/1002909304.db2.gz OUHHGUPDYCHXLG-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001420745720 1002909315 /nfs/dbraw/zinc/90/93/15/1002909315.db2.gz OUHHGUPDYCHXLG-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCN(CCO[C@H]2CC2(F)F)C1 ZINC001404062945 1002961550 /nfs/dbraw/zinc/96/15/50/1002961550.db2.gz GBPLVADPHNFWSL-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405820617 1003110319 /nfs/dbraw/zinc/11/03/19/1003110319.db2.gz CPOSMEFSARRBCM-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)c1nc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001425878335 1003212201 /nfs/dbraw/zinc/21/22/01/1003212201.db2.gz GDRMZAMXSFAIKN-QWHCGFSZSA-N 1 3 322.457 0.959 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001421003153 1003223184 /nfs/dbraw/zinc/22/31/84/1003223184.db2.gz BKVJZQPKAXELLG-GDBMZVCRSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCn2cccn2)C[C@H]1C ZINC001425886293 1003223378 /nfs/dbraw/zinc/22/33/78/1003223378.db2.gz IZOGNTMHMBUTGI-HUUCEWRRSA-N 1 3 307.442 0.802 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NCC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001425887120 1003225538 /nfs/dbraw/zinc/22/55/38/1003225538.db2.gz OOKAEONLXJBVTP-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CCCC[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001421006319 1003230595 /nfs/dbraw/zinc/23/05/95/1003230595.db2.gz ZGLLNRBBXIPMES-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CCCC[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001421006319 1003230605 /nfs/dbraw/zinc/23/06/05/1003230605.db2.gz ZGLLNRBBXIPMES-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001421040731 1003261405 /nfs/dbraw/zinc/26/14/05/1003261405.db2.gz SRGGDAASILEXJV-RHSMWYFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCCNC1=O ZINC001406082929 1003334735 /nfs/dbraw/zinc/33/47/35/1003334735.db2.gz SJZYTBAAGQHDSB-KBPBESRZSA-N 1 3 312.458 0.336 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001406097137 1003348147 /nfs/dbraw/zinc/34/81/47/1003348147.db2.gz QESJBLKVTCCCQX-GFCCVEGCSA-N 1 3 323.441 0.566 20 0 DCADHO CN(C(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C1CC1 ZINC001421128963 1003360132 /nfs/dbraw/zinc/36/01/32/1003360132.db2.gz LQLKMFXGDUKPQE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](O)CN1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001421330160 1003552106 /nfs/dbraw/zinc/55/21/06/1003552106.db2.gz FGIAOYUAKUIXDC-NEPJUHHUSA-N 1 3 307.385 0.392 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CC3CC[NH2+]CC3)C2)nn1 ZINC001549046896 1016795504 /nfs/dbraw/zinc/79/55/04/1016795504.db2.gz BZQHPXWWRKHEAK-CQSZACIVSA-N 1 3 306.414 0.290 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001406318772 1003600826 /nfs/dbraw/zinc/60/08/26/1003600826.db2.gz AWCYRMXMCMOSSY-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001406417535 1003699620 /nfs/dbraw/zinc/69/96/20/1003699620.db2.gz FGXZOJOOYBRZDY-CHWSQXEVSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001406429150 1003709827 /nfs/dbraw/zinc/70/98/27/1003709827.db2.gz HJLNAQVWZAHJKI-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001406484773 1003756716 /nfs/dbraw/zinc/75/67/16/1003756716.db2.gz VHVOGLQKAPHBAY-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cncn1C)C1CC1)N(C)C ZINC001406783357 1004091400 /nfs/dbraw/zinc/09/14/00/1004091400.db2.gz BFQRKHLMBWRITI-CABCVRRESA-N 1 3 307.442 0.745 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001407108686 1004388864 /nfs/dbraw/zinc/38/88/64/1004388864.db2.gz IYFCLSQMHAASJV-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001407110368 1004392928 /nfs/dbraw/zinc/39/29/28/1004392928.db2.gz SLDSPGBKAVEXOC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001429432009 1004595316 /nfs/dbraw/zinc/59/53/16/1004595316.db2.gz GDZSIPACDXZOOC-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001407416968 1004639808 /nfs/dbraw/zinc/63/98/08/1004639808.db2.gz SJNRPOTWNXYXMW-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N2CCCC2)CCC1)N(C)C ZINC001407798535 1004869221 /nfs/dbraw/zinc/86/92/21/1004869221.db2.gz IKNDEVXIUALWOB-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001408082478 1005027416 /nfs/dbraw/zinc/02/74/16/1005027416.db2.gz LBJNIWFHJYWFAO-GOEBONIOSA-N 1 3 321.469 0.739 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001408098096 1005039768 /nfs/dbraw/zinc/03/97/68/1005039768.db2.gz PYVAOGMIYVPFHQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001408098096 1005039773 /nfs/dbraw/zinc/03/97/73/1005039773.db2.gz PYVAOGMIYVPFHQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001414934041 1005426995 /nfs/dbraw/zinc/42/69/95/1005426995.db2.gz KWXHMMUJSKVYQL-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001414944908 1005428841 /nfs/dbraw/zinc/42/88/41/1005428841.db2.gz MIMDUGKDPAHBNN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001414944908 1005428843 /nfs/dbraw/zinc/42/88/43/1005428843.db2.gz MIMDUGKDPAHBNN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001415518843 1005552293 /nfs/dbraw/zinc/55/22/93/1005552293.db2.gz IFKKQTSCMGXCPY-OAHLLOKOSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001417263427 1005812842 /nfs/dbraw/zinc/81/28/42/1005812842.db2.gz YXQQMHWNQSSGHM-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001417263427 1005812845 /nfs/dbraw/zinc/81/28/45/1005812845.db2.gz YXQQMHWNQSSGHM-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001417801738 1005893702 /nfs/dbraw/zinc/89/37/02/1005893702.db2.gz OUNBPFNFTXUFKG-NOLJZWGESA-N 1 3 324.469 0.336 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001438635367 1005969477 /nfs/dbraw/zinc/96/94/77/1005969477.db2.gz KYRBJDSASFCPJN-SWLSCSKDSA-N 1 3 305.426 0.816 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438644138 1005980099 /nfs/dbraw/zinc/98/00/99/1005980099.db2.gz QADUFVNIJUMJPU-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001438682217 1006026356 /nfs/dbraw/zinc/02/63/56/1006026356.db2.gz NDIIZKSOXGRKDC-RYUDHWBXSA-N 1 3 322.457 0.952 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001418113769 1006059516 /nfs/dbraw/zinc/05/95/16/1006059516.db2.gz NAFINAXEWOIQPQ-IGQOVBAYSA-N 1 3 310.442 0.232 20 0 DCADHO Cc1noc(CCCN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)n1 ZINC001436481131 1006211375 /nfs/dbraw/zinc/21/13/75/1006211375.db2.gz MJEHWXAKLCZOIJ-OCCSQVGLSA-N 1 3 323.441 0.841 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001438991769 1006329037 /nfs/dbraw/zinc/32/90/37/1006329037.db2.gz LKGPCMMMLHGURT-CVEARBPZSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001438991769 1006329052 /nfs/dbraw/zinc/32/90/52/1006329052.db2.gz LKGPCMMMLHGURT-CVEARBPZSA-N 1 3 320.437 0.523 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001436763046 1006330273 /nfs/dbraw/zinc/33/02/73/1006330273.db2.gz RDFUJRUCYRUURA-UONOGXRCSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001418310131 1006349692 /nfs/dbraw/zinc/34/96/92/1006349692.db2.gz BMFBDOYKBIXMRG-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCc2cncc(F)c2)CC1 ZINC001439009720 1006354045 /nfs/dbraw/zinc/35/40/45/1006354045.db2.gz BUUMGVXEGOKSAD-AWEZNQCLSA-N 1 3 324.400 0.129 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccsc2)C1 ZINC001439025625 1006375787 /nfs/dbraw/zinc/37/57/87/1006375787.db2.gz XAPQEPOGTGSIRD-JSGCOSHPSA-N 1 3 311.451 0.657 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001418335584 1006395235 /nfs/dbraw/zinc/39/52/35/1006395235.db2.gz KFOKKURLVCCABC-HNNXBMFYSA-N 1 3 318.421 0.298 20 0 DCADHO CN1CCC[C@@H](N[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001436871765 1006428370 /nfs/dbraw/zinc/42/83/70/1006428370.db2.gz HUDYOEOCPOGSNR-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CCC[NH+]1CCCCC1 ZINC001439085196 1006451929 /nfs/dbraw/zinc/45/19/29/1006451929.db2.gz PROCNTOKFFCXER-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001436962639 1006486622 /nfs/dbraw/zinc/48/66/22/1006486622.db2.gz FGSWHECSTOVPPG-WCFLWFBJSA-N 1 3 320.441 0.753 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001439156192 1006523285 /nfs/dbraw/zinc/52/32/85/1006523285.db2.gz ZOMFYVFHUIKFNW-OLZOCXBDSA-N 1 3 320.437 0.372 20 0 DCADHO C[C@H](CNCC(=O)N[C@@H](C)C1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001439165373 1006536843 /nfs/dbraw/zinc/53/68/43/1006536843.db2.gz CTUXZBWHGBCEDP-OLZOCXBDSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001439182882 1006552323 /nfs/dbraw/zinc/55/23/23/1006552323.db2.gz VQGWNKOUZCDVLJ-OLZOCXBDSA-N 1 3 314.474 0.724 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001437049796 1006553134 /nfs/dbraw/zinc/55/31/34/1006553134.db2.gz MQRNUWVYMJNKOI-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439267794 1006643963 /nfs/dbraw/zinc/64/39/63/1006643963.db2.gz AUHIMEXWRACXNR-GXTWGEPZSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439267794 1006643973 /nfs/dbraw/zinc/64/39/73/1006643973.db2.gz AUHIMEXWRACXNR-GXTWGEPZSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)CC[NH+](C)C)C1 ZINC001452196502 1006652187 /nfs/dbraw/zinc/65/21/87/1006652187.db2.gz WIPHDZODNNEBBI-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001437203947 1006703578 /nfs/dbraw/zinc/70/35/78/1006703578.db2.gz UJFMGDYCZUZJLY-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001437258866 1006777508 /nfs/dbraw/zinc/77/75/08/1006777508.db2.gz CRIQBOUKGWGMGB-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001437289021 1006801620 /nfs/dbraw/zinc/80/16/20/1006801620.db2.gz FWYGQBZAVUABSG-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001437289021 1006801634 /nfs/dbraw/zinc/80/16/34/1006801634.db2.gz FWYGQBZAVUABSG-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001437309305 1006824020 /nfs/dbraw/zinc/82/40/20/1006824020.db2.gz AYSLDZKSOOFMBJ-CYBMUJFWSA-N 1 3 308.430 0.095 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001437331151 1006849914 /nfs/dbraw/zinc/84/99/14/1006849914.db2.gz UYSPYXNRNFUHKQ-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001439772805 1007186176 /nfs/dbraw/zinc/18/61/76/1007186176.db2.gz KBBCZEQHCCPEMM-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001439772805 1007186181 /nfs/dbraw/zinc/18/61/81/1007186181.db2.gz KBBCZEQHCCPEMM-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001439780108 1007191612 /nfs/dbraw/zinc/19/16/12/1007191612.db2.gz ZELCTUFUTCQLDV-QWHCGFSZSA-N 1 3 321.425 0.448 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCC[C@H]1C ZINC001453274253 1007370952 /nfs/dbraw/zinc/37/09/52/1007370952.db2.gz WLAKLEASJQFWFQ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCC[C@H]1C ZINC001453274253 1007370965 /nfs/dbraw/zinc/37/09/65/1007370965.db2.gz WLAKLEASJQFWFQ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)N1CCCCC1 ZINC001437830186 1007439858 /nfs/dbraw/zinc/43/98/58/1007439858.db2.gz RNLKJXNUSFLCLQ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C(=O)N(C)CCN[C@@H]1CCCNC1=O)[NH+]1CCCCCC1 ZINC001437846304 1007462581 /nfs/dbraw/zinc/46/25/81/1007462581.db2.gz RXMCMQHTOJDMMB-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001437956120 1007533156 /nfs/dbraw/zinc/53/31/56/1007533156.db2.gz DZLLXCTXOIVXBO-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001437956120 1007533161 /nfs/dbraw/zinc/53/31/61/1007533161.db2.gz DZLLXCTXOIVXBO-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438000081 1007573024 /nfs/dbraw/zinc/57/30/24/1007573024.db2.gz LNYITUOUIMPFES-KGLIPLIRSA-N 1 3 322.453 0.126 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001440397754 1007725252 /nfs/dbraw/zinc/72/52/52/1007725252.db2.gz RQAYNQZXZALCPN-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@@H](C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1)OC ZINC001440396504 1007725996 /nfs/dbraw/zinc/72/59/96/1007725996.db2.gz JPMJBTKAALSSSR-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001440465393 1007800632 /nfs/dbraw/zinc/80/06/32/1007800632.db2.gz MMSPYZAIXUBBIH-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001440468715 1007801730 /nfs/dbraw/zinc/80/17/30/1007801730.db2.gz PKMYAXWOQOEOAY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001440468715 1007801736 /nfs/dbraw/zinc/80/17/36/1007801736.db2.gz PKMYAXWOQOEOAY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO NC(=O)CN[C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001440468681 1007802151 /nfs/dbraw/zinc/80/21/51/1007802151.db2.gz XWQGHZGLKYSZHU-HNNXBMFYSA-N 1 3 324.469 0.709 20 0 DCADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1ccnn1C ZINC001438311165 1007808947 /nfs/dbraw/zinc/80/89/47/1007808947.db2.gz OESKIWVCOBSVON-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)NCC(=O)NC)C1 ZINC001438343150 1007840325 /nfs/dbraw/zinc/84/03/25/1007840325.db2.gz ZNDYNZSEBLPERY-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](CC)NCC(=O)NC)C1 ZINC001438343150 1007840332 /nfs/dbraw/zinc/84/03/32/1007840332.db2.gz ZNDYNZSEBLPERY-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC(C)C ZINC001438375214 1007870692 /nfs/dbraw/zinc/87/06/92/1007870692.db2.gz WSMCXBBWXOANBZ-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC(C)C ZINC001438375214 1007870698 /nfs/dbraw/zinc/87/06/98/1007870698.db2.gz WSMCXBBWXOANBZ-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@](C)(C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001438420342 1007894975 /nfs/dbraw/zinc/89/49/75/1007894975.db2.gz JNHSDOXTGMKLGL-DYVFJYSZSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001440590815 1007905190 /nfs/dbraw/zinc/90/51/90/1007905190.db2.gz DJVMRHUQIYIEGR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001438440116 1007909713 /nfs/dbraw/zinc/90/97/13/1007909713.db2.gz IJAWSCYTTWPRMO-HDJSIYSDSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001438455145 1007919012 /nfs/dbraw/zinc/91/90/12/1007919012.db2.gz ITDSEUJSBLXYPL-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001440832266 1008052401 /nfs/dbraw/zinc/05/24/01/1008052401.db2.gz SPZHXWHKRMNVSW-KGLIPLIRSA-N 1 3 322.457 0.635 20 0 DCADHO C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001440841749 1008058093 /nfs/dbraw/zinc/05/80/93/1008058093.db2.gz PUNYAWMZWUUGMH-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](NCC(=O)N1CCCCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001440839760 1008059210 /nfs/dbraw/zinc/05/92/10/1008059210.db2.gz PPVGYUSQSCFVPF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001441352712 1008330720 /nfs/dbraw/zinc/33/07/20/1008330720.db2.gz FDSANTMAFGYOAH-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001441365397 1008333643 /nfs/dbraw/zinc/33/36/43/1008333643.db2.gz NAUYROYGKBQOCE-AJNGGQMLSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001441382101 1008340083 /nfs/dbraw/zinc/34/00/83/1008340083.db2.gz ALYZNKNVZNVJIZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001441382101 1008340086 /nfs/dbraw/zinc/34/00/86/1008340086.db2.gz ALYZNKNVZNVJIZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)NC[C@@H](CO)[NH2+]CC1CC(C)(C)C1)C1CCC1 ZINC001441707684 1008469974 /nfs/dbraw/zinc/46/99/74/1008469974.db2.gz IRBSVULTUILMOC-AWEZNQCLSA-N 1 3 311.470 0.974 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CC1CC(C)(C)C1 ZINC001441775420 1008498073 /nfs/dbraw/zinc/49/80/73/1008498073.db2.gz SAUQHIZZJGYNSY-CYBMUJFWSA-N 1 3 308.426 0.764 20 0 DCADHO C[C@@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441818929 1008516698 /nfs/dbraw/zinc/51/66/98/1008516698.db2.gz HOBXQUBPRZHGPD-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001441831730 1008532504 /nfs/dbraw/zinc/53/25/04/1008532504.db2.gz WLCFQIUJNRBVLM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001453500505 1008537878 /nfs/dbraw/zinc/53/78/78/1008537878.db2.gz BVKSXUMOJHGTKY-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001453500505 1008537893 /nfs/dbraw/zinc/53/78/93/1008537893.db2.gz BVKSXUMOJHGTKY-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001441892329 1008627490 /nfs/dbraw/zinc/62/74/90/1008627490.db2.gz LBJVPUJPNYAQKJ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@](CNCC(N)=O)(NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001421569132 1008741144 /nfs/dbraw/zinc/74/11/44/1008741144.db2.gz KNFCFWHBDCOQOW-MRXNPFEDSA-N 1 3 310.442 0.222 20 0 DCADHO CCCN(C)CC(=O)N[C@@](C)(C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001421583579 1008757112 /nfs/dbraw/zinc/75/71/12/1008757112.db2.gz KEWCYQOYHSAUKX-BBRMVZONSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442009852 1008801452 /nfs/dbraw/zinc/80/14/52/1008801452.db2.gz NJKNOVPKSRQIMI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001442009852 1008801470 /nfs/dbraw/zinc/80/14/70/1008801470.db2.gz NJKNOVPKSRQIMI-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001442075121 1008937609 /nfs/dbraw/zinc/93/76/09/1008937609.db2.gz ABRDWPVDLORHDL-LSDHHAIUSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001442075121 1008937624 /nfs/dbraw/zinc/93/76/24/1008937624.db2.gz ABRDWPVDLORHDL-LSDHHAIUSA-N 1 3 322.453 0.328 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001421693180 1008942749 /nfs/dbraw/zinc/94/27/49/1008942749.db2.gz RAWAZYNZLOTODR-YRGRVCCFSA-N 1 3 324.425 0.865 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001421693180 1008942763 /nfs/dbraw/zinc/94/27/63/1008942763.db2.gz RAWAZYNZLOTODR-YRGRVCCFSA-N 1 3 324.425 0.865 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001442166550 1009041987 /nfs/dbraw/zinc/04/19/87/1009041987.db2.gz ZTBMKNXONBZEJB-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001442166132 1009042630 /nfs/dbraw/zinc/04/26/30/1009042630.db2.gz BUHFCFIPZXRSTL-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C(C)(C)C)C1 ZINC001442169460 1009047895 /nfs/dbraw/zinc/04/78/95/1009047895.db2.gz DATRWDYIJVDOLT-TZMCWYRMSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C(C)(C)C)C1 ZINC001442169460 1009047908 /nfs/dbraw/zinc/04/79/08/1009047908.db2.gz DATRWDYIJVDOLT-TZMCWYRMSA-N 1 3 324.469 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NCC(=O)NC)CCC2)C1 ZINC001421762770 1009050954 /nfs/dbraw/zinc/05/09/54/1009050954.db2.gz FCTSWQVXBFYJSH-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NCC(=O)NC)CCC2)C1 ZINC001421762770 1009050970 /nfs/dbraw/zinc/05/09/70/1009050970.db2.gz FCTSWQVXBFYJSH-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001421902946 1009238284 /nfs/dbraw/zinc/23/82/84/1009238284.db2.gz HCRWRDVNKGYEAH-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001421909426 1009249556 /nfs/dbraw/zinc/24/95/56/1009249556.db2.gz WAXGPPSEUFBEON-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421996971 1009385900 /nfs/dbraw/zinc/38/59/00/1009385900.db2.gz XUTDCXPLKFWPJP-OCCSQVGLSA-N 1 3 322.457 0.495 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421996971 1009385917 /nfs/dbraw/zinc/38/59/17/1009385917.db2.gz XUTDCXPLKFWPJP-OCCSQVGLSA-N 1 3 322.457 0.495 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1cncn1C ZINC001422038344 1009426236 /nfs/dbraw/zinc/42/62/36/1009426236.db2.gz GGSBIJVFEJNZRX-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCn2ncnc21 ZINC001434170433 1009633518 /nfs/dbraw/zinc/63/35/18/1009633518.db2.gz JUJNEBJKXMTWTJ-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCn2ncnc21 ZINC001434170433 1009633524 /nfs/dbraw/zinc/63/35/24/1009633524.db2.gz JUJNEBJKXMTWTJ-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1(CO)CCN([C@@H](C)COC)CC1 ZINC001422195577 1009633920 /nfs/dbraw/zinc/63/39/20/1009633920.db2.gz WUOVLHRMEXVPBV-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1(CO)CCN([C@@H](C)COC)CC1 ZINC001422195577 1009633925 /nfs/dbraw/zinc/63/39/25/1009633925.db2.gz WUOVLHRMEXVPBV-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](O)COC)N(C)C ZINC001422225692 1009673601 /nfs/dbraw/zinc/67/36/01/1009673601.db2.gz IHXQSRBDZMEQNP-RRFJBIMHSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)C[C@@H](O)COC)N(C)C ZINC001422225692 1009673605 /nfs/dbraw/zinc/67/36/05/1009673605.db2.gz IHXQSRBDZMEQNP-RRFJBIMHSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001422316975 1009857809 /nfs/dbraw/zinc/85/78/09/1009857809.db2.gz DUVPUDOQNBOQGN-OLZOCXBDSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001422357797 1009946588 /nfs/dbraw/zinc/94/65/88/1009946588.db2.gz GCCANUYRHJVGNF-WFASDCNBSA-N 1 3 303.422 0.674 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001422449312 1010103884 /nfs/dbraw/zinc/10/38/84/1010103884.db2.gz KZKRHGNVFSWJBV-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001422449312 1010103887 /nfs/dbraw/zinc/10/38/87/1010103887.db2.gz KZKRHGNVFSWJBV-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001443075461 1010113989 /nfs/dbraw/zinc/11/39/89/1010113989.db2.gz FFIXXBKJILGCMC-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O)N(C)C ZINC001422464555 1010124530 /nfs/dbraw/zinc/12/45/30/1010124530.db2.gz YQYPGMAKCOJGAA-RYUDHWBXSA-N 1 3 300.447 0.275 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001443087676 1010130357 /nfs/dbraw/zinc/13/03/57/1010130357.db2.gz CILOPEBGFVBBDT-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+]1C[C@H](NC(=O)c2ccnn2CCN(C)C)C(C)(C)C1 ZINC001456231367 1010136815 /nfs/dbraw/zinc/13/68/15/1010136815.db2.gz QOPYGNFTZPPTCK-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO CC[N@H+]1C[C@H](NC(=O)c2ccnn2CCN(C)C)C(C)(C)C1 ZINC001456231367 1010136824 /nfs/dbraw/zinc/13/68/24/1010136824.db2.gz QOPYGNFTZPPTCK-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001456301751 1010181224 /nfs/dbraw/zinc/18/12/24/1010181224.db2.gz VWMTVOWABMMAIO-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001422553201 1010286423 /nfs/dbraw/zinc/28/64/23/1010286423.db2.gz KJHZJQFEZMLSAT-AGIUHOORSA-N 1 3 314.474 0.724 20 0 DCADHO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001443279334 1010289842 /nfs/dbraw/zinc/28/98/42/1010289842.db2.gz UQULVHZYSOXWJB-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422587649 1010356697 /nfs/dbraw/zinc/35/66/97/1010356697.db2.gz CCIICNUSGNTSJM-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001422698341 1010500045 /nfs/dbraw/zinc/50/00/45/1010500045.db2.gz UJKHDYSKVMVUAM-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001508901108 1017094519 /nfs/dbraw/zinc/09/45/19/1017094519.db2.gz DTRYYEGHAIHMMA-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001508901108 1017094534 /nfs/dbraw/zinc/09/45/34/1017094534.db2.gz DTRYYEGHAIHMMA-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422985818 1010789497 /nfs/dbraw/zinc/78/94/97/1010789497.db2.gz SEFXITDUJJFEKS-LSDHHAIUSA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001423020733 1010815420 /nfs/dbraw/zinc/81/54/20/1010815420.db2.gz NTFQAHDDJALTJI-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001423042317 1010833088 /nfs/dbraw/zinc/83/30/88/1010833088.db2.gz DSTHGWPZQVDVIV-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001423048881 1010840355 /nfs/dbraw/zinc/84/03/55/1010840355.db2.gz JXJWERBFSGAUTO-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C(=O)NC1(C[NH2+]CC(N)=O)CCCC1)N1CCCCCC1 ZINC001444080965 1010842104 /nfs/dbraw/zinc/84/21/04/1010842104.db2.gz LTNVUGKRFGJBEY-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001444168127 1010890250 /nfs/dbraw/zinc/89/02/50/1010890250.db2.gz JAPNFAVLDYXUNX-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001423156065 1010928937 /nfs/dbraw/zinc/92/89/37/1010928937.db2.gz WCSOOAZGWYNVLX-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001423156065 1010928943 /nfs/dbraw/zinc/92/89/43/1010928943.db2.gz WCSOOAZGWYNVLX-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001423224359 1010994812 /nfs/dbraw/zinc/99/48/12/1010994812.db2.gz CALMBCUTMJAPPG-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001423224359 1010994821 /nfs/dbraw/zinc/99/48/21/1010994821.db2.gz CALMBCUTMJAPPG-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406426 1011128150 /nfs/dbraw/zinc/12/81/50/1011128150.db2.gz UMIRORDFBYPOBN-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001423463552 1011166356 /nfs/dbraw/zinc/16/63/56/1011166356.db2.gz AWINCTVCDHZVFI-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423478368 1011177288 /nfs/dbraw/zinc/17/72/88/1011177288.db2.gz PVVGHHAUYCWIPW-ZDUSSCGKSA-N 1 3 320.441 0.238 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cncc(C)c1)N(C)C ZINC001423483527 1011179392 /nfs/dbraw/zinc/17/93/92/1011179392.db2.gz VXQXGDNASSRSBF-HOTGVXAUSA-N 1 3 322.453 0.639 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN(CCn2cncn2)C1 ZINC001423572913 1011286486 /nfs/dbraw/zinc/28/64/86/1011286486.db2.gz KDOYKEOWADYAHD-OAHLLOKOSA-N 1 3 308.430 0.201 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001423639730 1011377777 /nfs/dbraw/zinc/37/77/77/1011377777.db2.gz VBFJABKBUOYSHW-WMLDXEAASA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001533511270 1011430008 /nfs/dbraw/zinc/43/00/08/1011430008.db2.gz VJNCBUOQJRYFLF-GJBLVYBDSA-N 1 3 310.442 0.067 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001533511270 1011430018 /nfs/dbraw/zinc/43/00/18/1011430018.db2.gz VJNCBUOQJRYFLF-GJBLVYBDSA-N 1 3 310.442 0.067 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001423806903 1011590494 /nfs/dbraw/zinc/59/04/94/1011590494.db2.gz AVITXQQEXMWYQW-UHFFFAOYSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1ncsc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001445261481 1011592447 /nfs/dbraw/zinc/59/24/47/1011592447.db2.gz AGKWBJAPDSIMAW-LBPRGKRZSA-N 1 3 314.455 0.358 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445569925 1011944830 /nfs/dbraw/zinc/94/48/30/1011944830.db2.gz HGDYKXSSUCYLII-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445569925 1011944843 /nfs/dbraw/zinc/94/48/43/1011944843.db2.gz HGDYKXSSUCYLII-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553452198 1011989242 /nfs/dbraw/zinc/98/92/42/1011989242.db2.gz UQBLAKVWZCUJPB-ARFHVFGLSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@H]1CCC[NH2+]C1 ZINC001553493803 1012027170 /nfs/dbraw/zinc/02/71/70/1012027170.db2.gz COVJXSAACGUYLB-JONQDZQNSA-N 1 3 324.469 0.615 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553495958 1012029025 /nfs/dbraw/zinc/02/90/25/1012029025.db2.gz KFILLIPPFFZLKE-RBSFLKMASA-N 1 3 310.442 0.227 20 0 DCADHO [NH3+][C@@]1(c2ccccc2)CCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC001553500118 1012039121 /nfs/dbraw/zinc/03/91/21/1012039121.db2.gz BSAWHKUTJIHUQM-HOCLYGCPSA-N 1 3 304.394 0.244 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001553504508 1012044710 /nfs/dbraw/zinc/04/47/10/1012044710.db2.gz PZTZLCWXXNCYQG-HOCLYGCPSA-N 1 3 324.469 0.786 20 0 DCADHO [NH3+][C@H]1CN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC12CCC2 ZINC001553510888 1012055681 /nfs/dbraw/zinc/05/56/81/1012055681.db2.gz RWXPVLOAXBRBJB-CABCVRRESA-N 1 3 322.453 0.763 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553527398 1012076814 /nfs/dbraw/zinc/07/68/14/1012076814.db2.gz OKMKXWPZQSTQKB-FXUDXRNXSA-N 1 3 324.469 0.473 20 0 DCADHO CC1([NH3+])CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553546361 1012093519 /nfs/dbraw/zinc/09/35/19/1012093519.db2.gz GZLDHINVFCZKEF-GWUWNPHMSA-N 1 3 324.469 0.887 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001536462394 1012133227 /nfs/dbraw/zinc/13/32/27/1012133227.db2.gz RRORYEQGDNAHCF-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001536462394 1012133241 /nfs/dbraw/zinc/13/32/41/1012133241.db2.gz RRORYEQGDNAHCF-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001432269649 1012232395 /nfs/dbraw/zinc/23/23/95/1012232395.db2.gz OVEVJKVWAUWYFW-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+](CC)CC ZINC001432347182 1012349952 /nfs/dbraw/zinc/34/99/52/1012349952.db2.gz CMEMTCAWOZLXRJ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001458764802 1012357590 /nfs/dbraw/zinc/35/75/90/1012357590.db2.gz BSNMCVMURIXDDJ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](CNCc1cnnn1C)C1CC1)[NH+](C)C ZINC001445947433 1012457560 /nfs/dbraw/zinc/45/75/60/1012457560.db2.gz DOKTYBALDKQKGD-CABCVRRESA-N 1 3 322.457 0.386 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1NCCc2ccccc21 ZINC001548557675 1012479199 /nfs/dbraw/zinc/47/91/99/1012479199.db2.gz JRALFIYFJVESIR-WBVHZDCISA-N 1 3 303.406 0.494 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001445983408 1012480740 /nfs/dbraw/zinc/48/07/40/1012480740.db2.gz CYDUDNLBXVJXRY-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001445983408 1012480754 /nfs/dbraw/zinc/48/07/54/1012480754.db2.gz CYDUDNLBXVJXRY-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001458945332 1012485659 /nfs/dbraw/zinc/48/56/59/1012485659.db2.gz PFKGSLLFYAXIKB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001458945332 1012485671 /nfs/dbraw/zinc/48/56/71/1012485671.db2.gz PFKGSLLFYAXIKB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001424475006 1012549869 /nfs/dbraw/zinc/54/98/69/1012549869.db2.gz FZMYGCZJMQLUSC-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC001548431556 1012628676 /nfs/dbraw/zinc/62/86/76/1012628676.db2.gz HNOJBRDZRPPMFW-BZUAXINKSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1c1cnn(C)c1 ZINC001548431556 1012628683 /nfs/dbraw/zinc/62/86/83/1012628683.db2.gz HNOJBRDZRPPMFW-BZUAXINKSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCN2C)C[C@@H]1c1cnn(C)c1 ZINC001548431556 1012628689 /nfs/dbraw/zinc/62/86/89/1012628689.db2.gz HNOJBRDZRPPMFW-BZUAXINKSA-N 1 3 319.453 0.666 20 0 DCADHO CNC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)C[C@@H]1c1cnn(C)c1 ZINC001548431556 1012628695 /nfs/dbraw/zinc/62/86/95/1012628695.db2.gz HNOJBRDZRPPMFW-BZUAXINKSA-N 1 3 319.453 0.666 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1 ZINC001446170474 1012659644 /nfs/dbraw/zinc/65/96/44/1012659644.db2.gz MZVCKDCIUDVSRY-UONOGXRCSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1 ZINC001446170474 1012659652 /nfs/dbraw/zinc/65/96/52/1012659652.db2.gz MZVCKDCIUDVSRY-UONOGXRCSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001429744002 1012732097 /nfs/dbraw/zinc/73/20/97/1012732097.db2.gz WGIAKFDHEFRRMA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429744002 1012732111 /nfs/dbraw/zinc/73/21/11/1012732111.db2.gz WGIAKFDHEFRRMA-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(N[C@H]1COC2(CNC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001548570777 1012738379 /nfs/dbraw/zinc/73/83/79/1012738379.db2.gz XEGMLNRTLUCCDC-PBHICJAKSA-N 1 3 301.390 0.165 20 0 DCADHO COC[C@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CCCCN1 ZINC001548588401 1012767719 /nfs/dbraw/zinc/76/77/19/1012767719.db2.gz VRMSPYNRIVQQDF-INIZCTEOSA-N 1 3 311.426 0.125 20 0 DCADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[N@@H+]2C1 ZINC001548726561 1013043397 /nfs/dbraw/zinc/04/33/97/1013043397.db2.gz CBTVTBCATDZAFF-DGXTUMSLSA-N 1 3 307.438 0.384 20 0 DCADHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[N@H+]2C1 ZINC001548726561 1013043414 /nfs/dbraw/zinc/04/34/14/1013043414.db2.gz CBTVTBCATDZAFF-DGXTUMSLSA-N 1 3 307.438 0.384 20 0 DCADHO C[C@H](NCCF)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001506841437 1017602943 /nfs/dbraw/zinc/60/29/43/1017602943.db2.gz BDHXANDCTCMZMN-QWHCGFSZSA-N 1 3 301.406 0.503 20 0 DCADHO C[C@H](NCCF)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001506848901 1017612009 /nfs/dbraw/zinc/61/20/09/1017612009.db2.gz GWWRLEKMKYRMLV-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499614017 1017996249 /nfs/dbraw/zinc/99/62/49/1017996249.db2.gz JPJWUGATIMJVCD-RHSMWYFYSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C[C@H]1C ZINC001499852152 1018104471 /nfs/dbraw/zinc/10/44/71/1018104471.db2.gz DNJRIJXSWXFHAD-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480060406 1018170860 /nfs/dbraw/zinc/17/08/60/1018170860.db2.gz PFMQPVZSPMMCSP-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480060406 1018170864 /nfs/dbraw/zinc/17/08/64/1018170864.db2.gz PFMQPVZSPMMCSP-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001480115746 1018218843 /nfs/dbraw/zinc/21/88/43/1018218843.db2.gz KRHWKBBOYJOOSV-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cnn(C)c1 ZINC001495002285 1018229069 /nfs/dbraw/zinc/22/90/69/1018229069.db2.gz KGYQNBYRQVWDPU-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001497585228 1018250307 /nfs/dbraw/zinc/25/03/07/1018250307.db2.gz HOBBVILLHLYSTQ-CYSUXKILSA-N 1 3 322.453 0.209 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001497585228 1018250315 /nfs/dbraw/zinc/25/03/15/1018250315.db2.gz HOBBVILLHLYSTQ-CYSUXKILSA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001480173210 1018283703 /nfs/dbraw/zinc/28/37/03/1018283703.db2.gz BNZKAKMSFPMSAO-HDJSIYSDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C/CNCC(=O)N2CCCC2)C1 ZINC001497674671 1018327344 /nfs/dbraw/zinc/32/73/44/1018327344.db2.gz LAEYGOIFWHABLU-FAAWYNLUSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/CNCC(=O)N2CCCC2)C1 ZINC001497674671 1018327356 /nfs/dbraw/zinc/32/73/56/1018327356.db2.gz LAEYGOIFWHABLU-FAAWYNLUSA-N 1 3 322.453 0.213 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cnnn2C)C1 ZINC001500397505 1018440641 /nfs/dbraw/zinc/44/06/41/1018440641.db2.gz XSOZVUPHELTIGV-INIZCTEOSA-N 1 3 322.457 0.485 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001497836505 1018458761 /nfs/dbraw/zinc/45/87/61/1018458761.db2.gz ZJFVPJYNMBAWER-MGPQQGTHSA-N 1 3 314.474 0.676 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C)C(N)=O ZINC001480366926 1018468109 /nfs/dbraw/zinc/46/81/09/1018468109.db2.gz DFYLFKVSQVQMFK-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963483 1018546161 /nfs/dbraw/zinc/54/61/61/1018546161.db2.gz WQUSYHLCDZVIGW-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001497994274 1018570401 /nfs/dbraw/zinc/57/04/01/1018570401.db2.gz ZHUADLKAFHNAJO-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC(C)(C)C ZINC001480575013 1018674442 /nfs/dbraw/zinc/67/44/42/1018674442.db2.gz PJQXLSYDWRYHEG-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CCCC[C@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001480575253 1018674721 /nfs/dbraw/zinc/67/47/21/1018674721.db2.gz RFGVZUABYYWLEW-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001498132937 1018679752 /nfs/dbraw/zinc/67/97/52/1018679752.db2.gz TZNNOQSRGATVCV-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H]([NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001480596223 1018692933 /nfs/dbraw/zinc/69/29/33/1018692933.db2.gz JJQIVXBHINQUBY-DOMZBBRYSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@@H](C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496169625 1019129735 /nfs/dbraw/zinc/12/97/35/1019129735.db2.gz LDLUPOJAFGREGY-QWHCGFSZSA-N 1 3 321.425 0.305 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001496205992 1019162108 /nfs/dbraw/zinc/16/21/08/1019162108.db2.gz FMTGPOSVFJKXPA-UKRRQHHQSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001496205945 1019162195 /nfs/dbraw/zinc/16/21/95/1019162195.db2.gz DAVUSZLPAVLBMA-LBPRGKRZSA-N 1 3 310.442 0.030 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001496206310 1019164033 /nfs/dbraw/zinc/16/40/33/1019164033.db2.gz HWETUGUGXRVDGW-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001496206310 1019164038 /nfs/dbraw/zinc/16/40/38/1019164038.db2.gz HWETUGUGXRVDGW-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)[nH]1 ZINC001498492329 1019166185 /nfs/dbraw/zinc/16/61/85/1019166185.db2.gz UDZIQTHSCWMYJR-KBPBESRZSA-N 1 3 322.457 0.829 20 0 DCADHO CC(C)C[C@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496294993 1019225936 /nfs/dbraw/zinc/22/59/36/1019225936.db2.gz IQKVMAHGDQGKDF-LSDHHAIUSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496294993 1019225938 /nfs/dbraw/zinc/22/59/38/1019225938.db2.gz IQKVMAHGDQGKDF-LSDHHAIUSA-N 1 3 321.469 0.992 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001496305863 1019232348 /nfs/dbraw/zinc/23/23/48/1019232348.db2.gz APXVCBXPLWOVRR-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001496305863 1019232361 /nfs/dbraw/zinc/23/23/61/1019232361.db2.gz APXVCBXPLWOVRR-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001493365689 1019361929 /nfs/dbraw/zinc/36/19/29/1019361929.db2.gz AUVGHXCWSTZMSE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001498773346 1019414076 /nfs/dbraw/zinc/41/40/76/1019414076.db2.gz IJDUJCHTJHICNZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001498773346 1019414088 /nfs/dbraw/zinc/41/40/88/1019414088.db2.gz IJDUJCHTJHICNZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001501864683 1019528994 /nfs/dbraw/zinc/52/89/94/1019528994.db2.gz KBFBZIHURRORBO-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001501864683 1019529017 /nfs/dbraw/zinc/52/90/17/1019529017.db2.gz KBFBZIHURRORBO-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO Cc1nn(C)cc1CNC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001501995724 1019613979 /nfs/dbraw/zinc/61/39/79/1019613979.db2.gz FLLBXHIZQJJWJA-UHFFFAOYSA-N 1 3 307.442 0.809 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CCO1 ZINC001502087804 1019701990 /nfs/dbraw/zinc/70/19/90/1019701990.db2.gz SUXLDNHYJWRCSB-LSDHHAIUSA-N 1 3 315.458 0.426 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001496914771 1019758485 /nfs/dbraw/zinc/75/84/85/1019758485.db2.gz KPDWRMKXULHWJO-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@H+](CCCNC(=O)CN1CCCC1)CC(=O)N1CCC1 ZINC001493877075 1019781373 /nfs/dbraw/zinc/78/13/73/1019781373.db2.gz LLPIRWQXZWJNOT-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[N@@H+](CCCNC(=O)CN1CCCC1)CC(=O)N1CCC1 ZINC001493877075 1019781392 /nfs/dbraw/zinc/78/13/92/1019781392.db2.gz LLPIRWQXZWJNOT-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCC[N@H+](C)CCn1cncn1)C(=O)[C@@H]1CCCN1C ZINC001502167110 1019782602 /nfs/dbraw/zinc/78/26/02/1019782602.db2.gz OWMLIEJYVINLOL-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CCCN1C ZINC001502167110 1019782626 /nfs/dbraw/zinc/78/26/26/1019782626.db2.gz OWMLIEJYVINLOL-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO C[C@@H](O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001493902383 1019803851 /nfs/dbraw/zinc/80/38/51/1019803851.db2.gz BSBYMKUFCHAMOJ-GDBMZVCRSA-N 1 3 317.433 0.910 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001493930474 1019827877 /nfs/dbraw/zinc/82/78/77/1019827877.db2.gz OMYFNTUDQMSRDJ-IYBDPMFKSA-N 1 3 309.454 0.920 20 0 DCADHO CN(CCC(N)=O)Cc1ccccc1C[N@H+](C)CCC(N)=O ZINC000286593041 219070370 /nfs/dbraw/zinc/07/03/70/219070370.db2.gz VZNNWRIDUUWFPA-UHFFFAOYSA-N 1 3 306.410 0.301 20 0 DCADHO CN(CCC(N)=O)Cc1ccccc1C[N@@H+](C)CCC(N)=O ZINC000286593041 219070373 /nfs/dbraw/zinc/07/03/73/219070373.db2.gz VZNNWRIDUUWFPA-UHFFFAOYSA-N 1 3 306.410 0.301 20 0 DCADHO Cc1nn(C)cc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615547 185329015 /nfs/dbraw/zinc/32/90/15/185329015.db2.gz ZGMUZYUVJQKEJA-UHFFFAOYSA-N 1 3 307.442 0.618 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343313717 283063535 /nfs/dbraw/zinc/06/35/35/283063535.db2.gz SKZPXSQQLSSVCB-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343313717 283063537 /nfs/dbraw/zinc/06/35/37/283063537.db2.gz SKZPXSQQLSSVCB-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333752360 295904266 /nfs/dbraw/zinc/90/42/66/295904266.db2.gz KDTGDWIJWBFYFP-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419763866 283165840 /nfs/dbraw/zinc/16/58/40/283165840.db2.gz OLPCEJFGDSWQBP-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419767924 283166029 /nfs/dbraw/zinc/16/60/29/283166029.db2.gz TZUUXQNECDJLKZ-CQSZACIVSA-N 1 3 312.458 0.340 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000419763286 283164848 /nfs/dbraw/zinc/16/48/48/283164848.db2.gz NLUPGECJOPLEIT-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC2CC[NH+](C)CC2)n1 ZINC000173913960 237163876 /nfs/dbraw/zinc/16/38/76/237163876.db2.gz NGAVXUMTLGECDG-UHFFFAOYSA-N 1 3 308.430 0.908 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418836009 283660820 /nfs/dbraw/zinc/66/08/20/283660820.db2.gz OQCUKWFIIJYMLJ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566508009 291310299 /nfs/dbraw/zinc/31/02/99/291310299.db2.gz DVUBIGLKBIUASD-HUUCEWRRSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000566512974 291310657 /nfs/dbraw/zinc/31/06/57/291310657.db2.gz RNYVATPQYPABKT-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO Cn1ccc(N2CCC[C@@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)n1 ZINC000420334009 240021290 /nfs/dbraw/zinc/02/12/90/240021290.db2.gz KTLCXJVVXLVFNG-QLFBSQMISA-N 1 3 317.437 0.847 20 0 DCADHO NC(=O)c1cccnc1N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420328182 240023124 /nfs/dbraw/zinc/02/31/24/240023124.db2.gz ZOKMDDNCXTWKGG-AWEZNQCLSA-N 1 3 317.437 0.692 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1CCC[C@@H](C)C1 ZINC000420068393 240013556 /nfs/dbraw/zinc/01/35/56/240013556.db2.gz USDBVTSKLQFUHU-BZPMIXESSA-N 1 3 310.442 0.077 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C(C)C ZINC000420065127 240014439 /nfs/dbraw/zinc/01/44/39/240014439.db2.gz VBTWXSGYPBPDLW-AWEZNQCLSA-N 1 3 312.458 0.467 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C(C)C ZINC000420065127 240014444 /nfs/dbraw/zinc/01/44/44/240014444.db2.gz VBTWXSGYPBPDLW-AWEZNQCLSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000566974547 291331522 /nfs/dbraw/zinc/33/15/22/291331522.db2.gz ZPBIRTCKPKXDNE-STQMWFEESA-N 1 3 320.437 0.606 20 0 DCADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1C[C@@H](O)CN1 ZINC000423780765 240248172 /nfs/dbraw/zinc/24/81/72/240248172.db2.gz WTDLDKJBHZLRAS-HZPDHXFCSA-N 1 3 303.406 0.986 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423581880 240215589 /nfs/dbraw/zinc/21/55/89/240215589.db2.gz WHAHIJVDQJQOEA-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)CC(F)(F)CN)CC1 ZINC000567244840 291344906 /nfs/dbraw/zinc/34/49/06/291344906.db2.gz RLOASVHWULRQMQ-UHFFFAOYSA-N 1 3 306.401 0.504 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000567382777 291352406 /nfs/dbraw/zinc/35/24/06/291352406.db2.gz XQUGRUVDMHNTID-UHFFFAOYSA-N 1 3 311.426 0.377 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000567779373 291376933 /nfs/dbraw/zinc/37/69/33/291376933.db2.gz MZDYNVSHAYGUTQ-ZDUSSCGKSA-N 1 3 308.430 0.479 20 0 DCADHO C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000567823824 291381158 /nfs/dbraw/zinc/38/11/58/291381158.db2.gz PXFNRZLBXOIELI-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)[C@H](CNC(=O)CN(C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000567893084 291388522 /nfs/dbraw/zinc/38/85/22/291388522.db2.gz RMAQJRHJTDXPBR-HZPDHXFCSA-N 1 3 304.438 0.699 20 0 DCADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567897276 291388941 /nfs/dbraw/zinc/38/89/41/291388941.db2.gz SLVJRFSHQSQDLV-IINYFYTJSA-N 1 3 307.402 0.060 20 0 DCADHO C[C@@H](N)c1nc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC001646744579 1172505664 /nfs/dbraw/zinc/50/56/64/1172505664.db2.gz ULYFZGURUZHRFV-WDEREUQCSA-N 1 3 311.455 0.529 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000574070463 291672389 /nfs/dbraw/zinc/67/23/89/291672389.db2.gz CRLISBXUMCOFDU-ZNMIVQPWSA-N 1 3 322.453 0.411 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000376720337 285026936 /nfs/dbraw/zinc/02/69/36/285026936.db2.gz OILLYBFFZKTBRR-GDBMZVCRSA-N 1 3 313.442 0.230 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000349934704 285055940 /nfs/dbraw/zinc/05/59/40/285055940.db2.gz ONYJXBLBDAQJGK-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000339580115 253108295 /nfs/dbraw/zinc/10/82/95/253108295.db2.gz FXVIPOWSPWVLKA-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000339580115 253108296 /nfs/dbraw/zinc/10/82/96/253108296.db2.gz FXVIPOWSPWVLKA-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000339583417 253108826 /nfs/dbraw/zinc/10/88/26/253108826.db2.gz VXJDRZBPAVYXCE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000339583417 253108827 /nfs/dbraw/zinc/10/88/27/253108827.db2.gz VXJDRZBPAVYXCE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339637834 253119238 /nfs/dbraw/zinc/11/92/38/253119238.db2.gz NSOOVEUXCHZCMO-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO COCCN(C)CCNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000362845059 262080476 /nfs/dbraw/zinc/08/04/76/262080476.db2.gz ZHAGBNWKSKRFSU-CQSZACIVSA-N 1 3 300.447 0.546 20 0 DCADHO COCC[N@H+](C)CCNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000362845059 262080478 /nfs/dbraw/zinc/08/04/78/262080478.db2.gz ZHAGBNWKSKRFSU-CQSZACIVSA-N 1 3 300.447 0.546 20 0 DCADHO COCC[N@@H+](C)CCNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000362845059 262080479 /nfs/dbraw/zinc/08/04/79/262080479.db2.gz ZHAGBNWKSKRFSU-CQSZACIVSA-N 1 3 300.447 0.546 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1)C1CC1 ZINC000340219685 253220384 /nfs/dbraw/zinc/22/03/84/253220384.db2.gz YFQGHFCADXWHRF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1)C1CC1 ZINC000340219685 253220386 /nfs/dbraw/zinc/22/03/86/253220386.db2.gz YFQGHFCADXWHRF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000341089768 253342284 /nfs/dbraw/zinc/34/22/84/253342284.db2.gz OPKYHRZAJGTZTA-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000341089768 253342286 /nfs/dbraw/zinc/34/22/86/253342286.db2.gz OPKYHRZAJGTZTA-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341202573 253355650 /nfs/dbraw/zinc/35/56/50/253355650.db2.gz NBZNYOGVJPPYMY-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341202573 253355653 /nfs/dbraw/zinc/35/56/53/253355653.db2.gz NBZNYOGVJPPYMY-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341205941 253356996 /nfs/dbraw/zinc/35/69/96/253356996.db2.gz RWYXPHQIVGYTFS-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341205941 253356998 /nfs/dbraw/zinc/35/69/98/253356998.db2.gz RWYXPHQIVGYTFS-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000341012264 253335945 /nfs/dbraw/zinc/33/59/45/253335945.db2.gz FCZNYBOEYDXOKL-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000341012264 253335947 /nfs/dbraw/zinc/33/59/47/253335947.db2.gz FCZNYBOEYDXOKL-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000343720816 253691281 /nfs/dbraw/zinc/69/12/81/253691281.db2.gz KMXKQTGEQDJJPJ-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCN(c2ncc(CN3CCC(C[NH3+])CC3)cn2)CC1 ZINC000346684995 254082691 /nfs/dbraw/zinc/08/26/91/254082691.db2.gz HXYQOTGXSYJGKH-UHFFFAOYSA-N 1 3 304.442 0.399 20 0 DCADHO COC(=O)c1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cn1C ZINC000348376765 254234436 /nfs/dbraw/zinc/23/44/36/254234436.db2.gz YQMJKBWIYIWCCZ-UHFFFAOYSA-N 1 3 322.453 0.927 20 0 DCADHO Cc1nccn1CCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000348754993 254252094 /nfs/dbraw/zinc/25/20/94/254252094.db2.gz DUGOUEMEHIRUBJ-HNNXBMFYSA-N 1 3 307.442 0.901 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(CCCS(=O)(=O)NC)C1 ZINC000350254370 254314646 /nfs/dbraw/zinc/31/46/46/254314646.db2.gz PBMRESHZFRRKON-CQSZACIVSA-N 1 3 321.487 0.358 20 0 DCADHO COc1cc2c(cc1CNCC1(O)CC[NH+](C)CC1)OCO2 ZINC000332577189 533160748 /nfs/dbraw/zinc/16/07/48/533160748.db2.gz GLOSYJREKVRSSG-UHFFFAOYSA-N 1 3 308.378 0.970 20 0 DCADHO COCCN(C)CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000194829248 395809645 /nfs/dbraw/zinc/80/96/45/395809645.db2.gz AJPAHIRYHZFFEX-UHFFFAOYSA-N 1 3 300.428 0.342 20 0 DCADHO CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000236699431 395896982 /nfs/dbraw/zinc/89/69/82/395896982.db2.gz BIJQGJLJXUITOC-CQSZACIVSA-N 1 3 312.458 0.517 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000236765190 395898489 /nfs/dbraw/zinc/89/84/89/395898489.db2.gz CKPSWYBFIIMWMW-KGLIPLIRSA-N 1 3 312.458 0.228 20 0 DCADHO COc1ncncc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120292352 395881672 /nfs/dbraw/zinc/88/16/72/395881672.db2.gz AOMRTYKRKIKOKB-UHFFFAOYSA-N 1 3 310.402 0.442 20 0 DCADHO CNC(=O)[C@H](C)CN(C)C[C@@H](C)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000246230669 395944573 /nfs/dbraw/zinc/94/45/73/395944573.db2.gz QIDMEEDFNDTCEK-ZSOGYDGISA-N 1 3 314.474 0.250 20 0 DCADHO CNC(=O)[C@H](C)CN(C)C[C@@H](C)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000246230669 395944575 /nfs/dbraw/zinc/94/45/75/395944575.db2.gz QIDMEEDFNDTCEK-ZSOGYDGISA-N 1 3 314.474 0.250 20 0 DCADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](C)CN(C)C[C@H](C)C(=O)NC ZINC000246230669 395944576 /nfs/dbraw/zinc/94/45/76/395944576.db2.gz QIDMEEDFNDTCEK-ZSOGYDGISA-N 1 3 314.474 0.250 20 0 DCADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](C)CN(C)C[C@H](C)C(=O)NC ZINC000246230669 395944579 /nfs/dbraw/zinc/94/45/79/395944579.db2.gz QIDMEEDFNDTCEK-ZSOGYDGISA-N 1 3 314.474 0.250 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000246924957 395960948 /nfs/dbraw/zinc/96/09/48/395960948.db2.gz GQNQJTUYBHLCMX-UONOGXRCSA-N 1 3 321.487 0.262 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000171200087 396110741 /nfs/dbraw/zinc/11/07/41/396110741.db2.gz OLKUQEOIFUWXKZ-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO Cn1c(CN2CCC(CC[NH+](C)C)CC2)cc(=O)n(C)c1=O ZINC000071997646 396126060 /nfs/dbraw/zinc/12/60/60/396126060.db2.gz AUQKDDIAUWGJDD-UHFFFAOYSA-N 1 3 308.426 0.248 20 0 DCADHO C[C@H]([NH3+])CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000261870489 396074218 /nfs/dbraw/zinc/07/42/18/396074218.db2.gz QPXHTMCOLSKNPM-ZDUSSCGKSA-N 1 3 305.422 0.997 20 0 DCADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262569391 396156963 /nfs/dbraw/zinc/15/69/63/396156963.db2.gz YRJXXGCWOPCBJB-IRXDYDNUSA-N 1 3 317.433 0.533 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000074223914 396160694 /nfs/dbraw/zinc/16/06/94/396160694.db2.gz LZPHLVVVQOMYHG-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCN(CCOc2ccc(NC(=O)C3([NH3+])CC3)cc2)CC1 ZINC000262693991 396173883 /nfs/dbraw/zinc/17/38/83/396173883.db2.gz CEXFRIRCHJVUQD-UHFFFAOYSA-N 1 3 318.421 0.743 20 0 DCADHO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000262700360 396174658 /nfs/dbraw/zinc/17/46/58/396174658.db2.gz HUCYYKVWXLTJAI-INIZCTEOSA-N 1 3 312.458 0.517 20 0 DCADHO C[C@H](CN1CCOCC1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180965390 396236335 /nfs/dbraw/zinc/23/63/35/396236335.db2.gz FFMUTPDWPPJDQA-MRXNPFEDSA-N 1 3 312.502 0.665 20 0 DCADHO C[C@H](CN1CCOCC1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180965390 396236337 /nfs/dbraw/zinc/23/63/37/396236337.db2.gz FFMUTPDWPPJDQA-MRXNPFEDSA-N 1 3 312.502 0.665 20 0 DCADHO CN(CCCCC[N@H+](C)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(C)C1=O ZINC000077318425 396218179 /nfs/dbraw/zinc/21/81/79/396218179.db2.gz LTSROMJHIGQPDL-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CN(CCCCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(C)C1=O ZINC000077318425 396218181 /nfs/dbraw/zinc/21/81/81/396218181.db2.gz LTSROMJHIGQPDL-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)C(=O)NCCN(C)C ZINC000580725028 396495552 /nfs/dbraw/zinc/49/55/52/396495552.db2.gz NJYHCPCOEDMUCR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)C(=O)NCCN(C)C ZINC000580725028 396495555 /nfs/dbraw/zinc/49/55/55/396495555.db2.gz NJYHCPCOEDMUCR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000371632798 396472447 /nfs/dbraw/zinc/47/24/47/396472447.db2.gz KVJJTORULHZFIN-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000372475879 396520560 /nfs/dbraw/zinc/52/05/60/396520560.db2.gz ZEPXULZEOOAENS-ZNMIVQPWSA-N 1 3 310.442 0.443 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000581313669 396544673 /nfs/dbraw/zinc/54/46/73/396544673.db2.gz OFGSYNSXARPFOP-OLZOCXBDSA-N 1 3 303.410 0.770 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000584766047 396621255 /nfs/dbraw/zinc/62/12/55/396621255.db2.gz FEVKTUCDLVCWSQ-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCN1CCOCC1 ZINC000374429948 396664334 /nfs/dbraw/zinc/66/43/34/396664334.db2.gz QPXCQCGWQQUSSO-BRWVUGGUSA-N 1 3 311.470 0.892 20 0 DCADHO COCCN(C)C[C@H](O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000563350511 396722416 /nfs/dbraw/zinc/72/24/16/396722416.db2.gz OVXMJDYXLPWESD-IRXDYDNUSA-N 1 3 313.486 0.876 20 0 DCADHO O[C@H]1CCN(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000629556507 396785126 /nfs/dbraw/zinc/78/51/26/396785126.db2.gz RETMQVMDRCWVOF-LESCRADOSA-N 1 3 317.433 0.899 20 0 DCADHO N[C@H](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000375954174 396850874 /nfs/dbraw/zinc/85/08/74/396850874.db2.gz NNWHFXBLVHIJFJ-HZPDHXFCSA-N 1 3 302.422 0.583 20 0 DCADHO O[C@H](CNC[C@@H]1CCC2(CCOCC2)[C@H]1O)C[NH+]1CCCC1 ZINC000629597988 396804303 /nfs/dbraw/zinc/80/43/03/396804303.db2.gz VDQCIWRUDDOSPC-XHSDSOJGSA-N 1 3 312.454 0.600 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000331511703 396872719 /nfs/dbraw/zinc/87/27/19/396872719.db2.gz BWCBKFGAJVCJNT-KRWDZBQOSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1N(C)C ZINC000331608052 396873500 /nfs/dbraw/zinc/87/35/00/396873500.db2.gz DNTNWWHRCVGCOW-KBUPBQIOSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1N(C)C ZINC000331608052 396873508 /nfs/dbraw/zinc/87/35/08/396873508.db2.gz DNTNWWHRCVGCOW-KBUPBQIOSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618305804 396953244 /nfs/dbraw/zinc/95/32/44/396953244.db2.gz HQTGVHQPDAYQBJ-ZIAGYGMSSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)[N@H+](C)C1CC1 ZINC000342072875 396985659 /nfs/dbraw/zinc/98/56/59/396985659.db2.gz BZQWWRWIPWTSCJ-GFCCVEGCSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)[N@@H+](C)C1CC1 ZINC000342072875 396985663 /nfs/dbraw/zinc/98/56/63/396985663.db2.gz BZQWWRWIPWTSCJ-GFCCVEGCSA-N 1 3 310.442 0.138 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CCC[NH2+]1 ZINC000572103987 397020436 /nfs/dbraw/zinc/02/04/36/397020436.db2.gz FNYVIXOJVYNSNH-IIAWOOMASA-N 1 3 310.442 0.491 20 0 DCADHO CC(C)COC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000571634327 396972130 /nfs/dbraw/zinc/97/21/30/396972130.db2.gz NNSROHGUQNUKJI-IKGGRYGDSA-N 1 3 314.470 0.987 20 0 DCADHO C[C@H](CN1CCOCC1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000341119569 396977241 /nfs/dbraw/zinc/97/72/41/396977241.db2.gz HCSBEDXGXZHKIM-KZNAEPCWSA-N 1 3 324.513 0.665 20 0 DCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H]1CN1CCCCC1 ZINC000351537085 397128712 /nfs/dbraw/zinc/12/87/12/397128712.db2.gz HZVWAQNPAJIANQ-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@@H]1C[NH3+] ZINC000573108086 397134738 /nfs/dbraw/zinc/13/47/38/397134738.db2.gz BRYUEJIDOXAINJ-BARDWOONSA-N 1 3 322.453 0.125 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612975603 397168047 /nfs/dbraw/zinc/16/80/47/397168047.db2.gz DZXNLPSMBQOTNO-CQSZACIVSA-N 1 3 310.442 0.539 20 0 DCADHO CC[C@H](CNS(C)(=O)=O)[NH2+]C1CCN(CC2CC2)CC1 ZINC000573671999 397192786 /nfs/dbraw/zinc/19/27/86/397192786.db2.gz FXAFXLMYDMTOKR-CYBMUJFWSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H]1CC2(CN1CC(=O)N(C)Cc1cnn(C)c1)CC[NH2+]CC2 ZINC000573806581 397208164 /nfs/dbraw/zinc/20/81/64/397208164.db2.gz KYZUSUWODAMTAH-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC1 ZINC000574179482 397243224 /nfs/dbraw/zinc/24/32/24/397243224.db2.gz TZVPPCSZSXIDRA-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)c1ccn(CCN(C)C)n1)C[NH+]1CCCC1 ZINC000574529685 397278314 /nfs/dbraw/zinc/27/83/14/397278314.db2.gz YVYRHTHPTZBFBJ-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620482362 397279346 /nfs/dbraw/zinc/27/93/46/397279346.db2.gz NGXPAWYCDQTMSW-FMKPAKJESA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620482362 397279350 /nfs/dbraw/zinc/27/93/50/397279350.db2.gz NGXPAWYCDQTMSW-FMKPAKJESA-N 1 3 309.454 0.917 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620486131 397279559 /nfs/dbraw/zinc/27/95/59/397279559.db2.gz BFBYTYAGFJECKY-HOTGVXAUSA-N 1 3 309.454 0.918 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620486131 397279562 /nfs/dbraw/zinc/27/95/62/397279562.db2.gz BFBYTYAGFJECKY-HOTGVXAUSA-N 1 3 309.454 0.918 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000387327069 397295165 /nfs/dbraw/zinc/29/51/65/397295165.db2.gz UHQVQIIEOPCXNC-GFCCVEGCSA-N 1 3 311.426 0.457 20 0 DCADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CCN(CC4CC4)C3)c21 ZINC000592958706 397303472 /nfs/dbraw/zinc/30/34/72/397303472.db2.gz HCIQNVWZARSTPS-KBPBESRZSA-N 1 3 317.437 0.933 20 0 DCADHO O=C1C[C@H](c2ccccc2)N(CCN2CC[NH2+]CC2)CCN1 ZINC000420326341 397386234 /nfs/dbraw/zinc/38/62/34/397386234.db2.gz XGQKGIKQWUXIMJ-MRXNPFEDSA-N 1 3 302.422 0.455 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000420330896 397386266 /nfs/dbraw/zinc/38/62/66/397386266.db2.gz IJZWDMFVNDFSTP-CJNGLKHVSA-N 1 3 308.470 0.789 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419777778 397382772 /nfs/dbraw/zinc/38/27/72/397382772.db2.gz NQLKYLJXZMIZGU-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H](CN)C1 ZINC000578489136 397441944 /nfs/dbraw/zinc/44/19/44/397441944.db2.gz GVIVBVDNBOAZNN-ZFWWWQNUSA-N 1 3 309.458 0.288 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H](CN)C1 ZINC000578489136 397441947 /nfs/dbraw/zinc/44/19/47/397441947.db2.gz GVIVBVDNBOAZNN-ZFWWWQNUSA-N 1 3 309.458 0.288 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471640708 397448454 /nfs/dbraw/zinc/44/84/54/397448454.db2.gz ANAVASMPOXFUPF-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471640708 397448455 /nfs/dbraw/zinc/44/84/55/397448455.db2.gz ANAVASMPOXFUPF-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000422103137 397390415 /nfs/dbraw/zinc/39/04/15/397390415.db2.gz HBGFYLNOABVLCY-RHSMWYFYSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000422103137 397390421 /nfs/dbraw/zinc/39/04/21/397390421.db2.gz HBGFYLNOABVLCY-RHSMWYFYSA-N 1 3 322.453 0.093 20 0 DCADHO [NH3+]C[C@H]1CCC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422689296 397393019 /nfs/dbraw/zinc/39/30/19/397393019.db2.gz FCCAAQZTZQTGOC-CABCVRRESA-N 1 3 304.442 0.316 20 0 DCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000422689296 397393023 /nfs/dbraw/zinc/39/30/23/397393023.db2.gz FCCAAQZTZQTGOC-CABCVRRESA-N 1 3 304.442 0.316 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423629419 397397049 /nfs/dbraw/zinc/39/70/49/397397049.db2.gz XEYCDTBSQMBGAO-HUUCEWRRSA-N 1 3 324.469 0.659 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423629419 397397055 /nfs/dbraw/zinc/39/70/55/397397055.db2.gz XEYCDTBSQMBGAO-HUUCEWRRSA-N 1 3 324.469 0.659 20 0 DCADHO NC(=O)NC(=O)CCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602844858 397499967 /nfs/dbraw/zinc/49/99/67/397499967.db2.gz GWOMWLHSKPHBJR-UHFFFAOYSA-N 1 3 305.382 0.569 20 0 DCADHO NC(=O)NC(=O)CCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602844858 397499971 /nfs/dbraw/zinc/49/99/71/397499971.db2.gz GWOMWLHSKPHBJR-UHFFFAOYSA-N 1 3 305.382 0.569 20 0 DCADHO COC(=O)CNC(=O)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602845409 397500031 /nfs/dbraw/zinc/50/00/31/397500031.db2.gz KISOPLDGAMCJCE-UHFFFAOYSA-N 1 3 320.393 0.273 20 0 DCADHO COC(=O)CNC(=O)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602845409 397500034 /nfs/dbraw/zinc/50/00/34/397500034.db2.gz KISOPLDGAMCJCE-UHFFFAOYSA-N 1 3 320.393 0.273 20 0 DCADHO CN1CCC(N2CCC([NH2+]C[C@@H](O)Cn3cccn3)CC2)CC1 ZINC000579463245 397570038 /nfs/dbraw/zinc/57/00/38/397570038.db2.gz KQJWNWDEVPXTDR-QGZVFWFLSA-N 1 3 321.469 0.392 20 0 DCADHO C[C@@H](NC(=O)NC1CCN(CCO)CC1)C1CC[NH+](C)CC1 ZINC000606685500 397685783 /nfs/dbraw/zinc/68/57/83/397685783.db2.gz OUZWWYVIYQVTJF-CYBMUJFWSA-N 1 3 312.458 0.473 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000606699475 397686968 /nfs/dbraw/zinc/68/69/68/397686968.db2.gz OMGUSWNHUCHRJV-DZGCQCFKSA-N 1 3 312.458 0.737 20 0 DCADHO COCC1(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC[NH2+]CC1 ZINC000333832316 292239866 /nfs/dbraw/zinc/23/98/66/292239866.db2.gz MSMFYMGCIIQXJL-HUUCEWRRSA-N 1 3 324.469 0.738 20 0 DCADHO CN1CCN(C(=O)CN2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000093256742 158119257 /nfs/dbraw/zinc/11/92/57/158119257.db2.gz KYPNGRUMGVFFCI-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000367645201 159348266 /nfs/dbraw/zinc/34/82/66/159348266.db2.gz XZXORKLPLBJXRG-FUHWJXTLSA-N 1 3 322.497 0.910 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000368500573 159398072 /nfs/dbraw/zinc/39/80/72/159398072.db2.gz CSCQKABGLWOUSY-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000368500573 159398074 /nfs/dbraw/zinc/39/80/74/159398074.db2.gz CSCQKABGLWOUSY-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC(=O)C1 ZINC000246030669 287075452 /nfs/dbraw/zinc/07/54/52/287075452.db2.gz PNJGDHYMKWCZQL-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC(=O)C1 ZINC000246030669 287075456 /nfs/dbraw/zinc/07/54/56/287075456.db2.gz PNJGDHYMKWCZQL-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355266464 287178934 /nfs/dbraw/zinc/17/89/34/287178934.db2.gz BVHQMAMLRPNHBH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CC[NH2+]CC1 ZINC000418512228 287249467 /nfs/dbraw/zinc/24/94/67/287249467.db2.gz DWARDJHCMBPPEU-CQSZACIVSA-N 1 3 312.458 0.522 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418635506 287251755 /nfs/dbraw/zinc/25/17/55/287251755.db2.gz KURCBCIJNNHXDU-NVXWUHKLSA-N 1 3 320.437 0.485 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418945750 287256165 /nfs/dbraw/zinc/25/61/65/287256165.db2.gz LVMRABXQDZUUGD-ZIAGYGMSSA-N 1 3 320.437 0.334 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418944459 287255650 /nfs/dbraw/zinc/25/56/50/287255650.db2.gz JXIOJVAPEBBTKC-STQMWFEESA-N 1 3 306.410 0.087 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000625864277 412329684 /nfs/dbraw/zinc/32/96/84/412329684.db2.gz YVQRIIZDEFLNMY-UHFFFAOYSA-N 1 3 312.418 0.144 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419022649 287262537 /nfs/dbraw/zinc/26/25/37/287262537.db2.gz IKCDGPCXFHYCGG-RQJABVFESA-N 1 3 312.458 0.323 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419149584 287269669 /nfs/dbraw/zinc/26/96/69/287269669.db2.gz FESZGKYBIQIMGT-LSDHHAIUSA-N 1 3 324.469 0.611 20 0 DCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419227775 287276134 /nfs/dbraw/zinc/27/61/34/287276134.db2.gz KXUOGPCBGZXCEC-LSDHHAIUSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000331594850 415147692 /nfs/dbraw/zinc/14/76/92/415147692.db2.gz HBUHOGBEHKVJJO-VHDGCEQUSA-N 1 3 322.453 0.315 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000332111185 415251716 /nfs/dbraw/zinc/25/17/16/415251716.db2.gz SWOTYTCYAHOBPO-KBUPBQIOSA-N 1 3 322.453 0.315 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000079269477 415470289 /nfs/dbraw/zinc/47/02/89/415470289.db2.gz PGHOZFNTQYLVRS-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000079269477 415470294 /nfs/dbraw/zinc/47/02/94/415470294.db2.gz PGHOZFNTQYLVRS-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC[NH2+]1 ZINC000333143298 415569714 /nfs/dbraw/zinc/56/97/14/415569714.db2.gz LHUNJKWTEKYEAS-QLFBSQMISA-N 1 3 315.483 0.874 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)[C@H](N)CCSC)CC1 ZINC000353631699 415608864 /nfs/dbraw/zinc/60/88/64/415608864.db2.gz FWFUGNZZPOBJSC-CYBMUJFWSA-N 1 3 303.472 0.684 20 0 DCADHO COCCN(C)CCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103314310 415616796 /nfs/dbraw/zinc/61/67/96/415616796.db2.gz ZXOCIRYWKLPUAS-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000333353097 415618504 /nfs/dbraw/zinc/61/85/04/415618504.db2.gz JWUNXSYPPUTPSU-MBNYWOFBSA-N 1 3 300.472 0.721 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000343511737 415623318 /nfs/dbraw/zinc/62/33/18/415623318.db2.gz AVDSNQNZORQEHN-SJORKVTESA-N 1 3 320.481 0.711 20 0 DCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343836905 415745311 /nfs/dbraw/zinc/74/53/11/415745311.db2.gz VOOCGFZDWYNMOF-MNFFZHCASA-N 1 3 305.422 0.496 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000333826760 415746918 /nfs/dbraw/zinc/74/69/18/415746918.db2.gz LSTKWHSMQYWSRZ-IJEWVQPXSA-N 1 3 324.469 0.879 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000333842505 415750190 /nfs/dbraw/zinc/75/01/90/415750190.db2.gz ONKHRTLPCXKFGI-MRXNPFEDSA-N 1 3 324.469 0.740 20 0 DCADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000343923974 415785688 /nfs/dbraw/zinc/78/56/88/415785688.db2.gz GNHQHSMCIQOHMH-QGZVFWFLSA-N 1 3 320.481 0.900 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343992492 415809239 /nfs/dbraw/zinc/80/92/39/415809239.db2.gz URXHKGOJZYCAMN-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343992492 415809248 /nfs/dbraw/zinc/80/92/48/415809248.db2.gz URXHKGOJZYCAMN-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000356184784 415874103 /nfs/dbraw/zinc/87/41/03/415874103.db2.gz FCBIUQXJHUUWBD-GFCCVEGCSA-N 1 3 316.409 0.587 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000356342205 415901202 /nfs/dbraw/zinc/90/12/02/415901202.db2.gz VODJFCWBSFWSIF-ZDUSSCGKSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000356342205 415901206 /nfs/dbraw/zinc/90/12/06/415901206.db2.gz VODJFCWBSFWSIF-ZDUSSCGKSA-N 1 3 300.447 0.689 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000337209271 415929856 /nfs/dbraw/zinc/92/98/56/415929856.db2.gz APCRGWGSKWSCEW-MRXNPFEDSA-N 1 3 310.486 0.990 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000337209271 415929861 /nfs/dbraw/zinc/92/98/61/415929861.db2.gz APCRGWGSKWSCEW-MRXNPFEDSA-N 1 3 310.486 0.990 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)NCCN2CCC2)CC1 ZINC000337383431 415952619 /nfs/dbraw/zinc/95/26/19/415952619.db2.gz FYTUJPAUGQQHQT-UHFFFAOYSA-N 1 3 311.474 0.409 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cnn(C)c1 ZINC000337589876 415981470 /nfs/dbraw/zinc/98/14/70/415981470.db2.gz WCQANPCQQCBASB-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cnn(C)c1 ZINC000337589876 415981474 /nfs/dbraw/zinc/98/14/74/415981474.db2.gz WCQANPCQQCBASB-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO NC(=O)NC(=O)CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955681 416070222 /nfs/dbraw/zinc/07/02/22/416070222.db2.gz ZFOSDOHMXYJUDF-UHFFFAOYSA-N 1 3 312.414 0.148 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000303982394 416103469 /nfs/dbraw/zinc/10/34/69/416103469.db2.gz GJKFGBKYTQZQNV-HUUCEWRRSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000357930624 416156020 /nfs/dbraw/zinc/15/60/20/416156020.db2.gz OQGAGVOVHBZBPQ-SYAUCNOPSA-N 1 3 303.406 0.661 20 0 DCADHO CC(C)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000316885190 416116187 /nfs/dbraw/zinc/11/61/87/416116187.db2.gz XXEYDCKFGAXHCD-HZPDHXFCSA-N 1 3 310.486 0.764 20 0 DCADHO O=C(CN1CCN(CC2CC[NH2+]CC2)CC1)N1CCCCC1 ZINC000178978204 416179183 /nfs/dbraw/zinc/17/91/83/416179183.db2.gz YNKLYNHYWVPZST-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO COCC[N@H+](C)CCCC1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000340286296 416182352 /nfs/dbraw/zinc/18/23/52/416182352.db2.gz HMNKNXLQQPBFNF-HZPDHXFCSA-N 1 3 300.443 0.817 20 0 DCADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000340286296 416182357 /nfs/dbraw/zinc/18/23/57/416182357.db2.gz HMNKNXLQQPBFNF-HZPDHXFCSA-N 1 3 300.443 0.817 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CN1C1CC1 ZINC000346198411 416190262 /nfs/dbraw/zinc/19/02/62/416190262.db2.gz YVZNHHBMXPCJEF-OLZOCXBDSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000346198411 416190265 /nfs/dbraw/zinc/19/02/65/416190265.db2.gz YVZNHHBMXPCJEF-OLZOCXBDSA-N 1 3 322.453 0.280 20 0 DCADHO O=S1(=O)CCC[C@H]([NH2+]CCCCN2CCC[C@@H]2CO)C1 ZINC000341695172 416224477 /nfs/dbraw/zinc/22/44/77/416224477.db2.gz JMRFIHCHZLDHRP-UONOGXRCSA-N 1 3 304.456 0.390 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCC2(CO)COC2)[C@@H](C)C1 ZINC000358350346 416227163 /nfs/dbraw/zinc/22/71/63/416227163.db2.gz JBYWMJCXOLURMQ-LSDHHAIUSA-N 1 3 300.443 0.722 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCC2(CO)COC2)[C@@H](C)C1 ZINC000358350346 416227166 /nfs/dbraw/zinc/22/71/66/416227166.db2.gz JBYWMJCXOLURMQ-LSDHHAIUSA-N 1 3 300.443 0.722 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000358533128 416251731 /nfs/dbraw/zinc/25/17/31/416251731.db2.gz UNTLSTWWNUGTTK-KGLIPLIRSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN1CC[C@@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000358868930 416288227 /nfs/dbraw/zinc/28/82/27/416288227.db2.gz WYYZEOKLYCPGPZ-HUUCEWRRSA-N 1 3 309.385 0.705 20 0 DCADHO COC1(C(=O)NC[C@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000262377188 416336835 /nfs/dbraw/zinc/33/68/35/416336835.db2.gz MNOZRFVSCZYUQJ-OAHLLOKOSA-N 1 3 303.406 0.758 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000415472803 416344505 /nfs/dbraw/zinc/34/45/05/416344505.db2.gz ZDIAGVPILQGHPL-CQSZACIVSA-N 1 3 304.394 0.636 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000237162531 416328432 /nfs/dbraw/zinc/32/84/32/416328432.db2.gz CGLKKDGYPGPSAD-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CN1C1CC1 ZINC000237715684 416328763 /nfs/dbraw/zinc/32/87/63/416328763.db2.gz BSNXGDCBGKYTOM-RYUDHWBXSA-N 1 3 318.425 0.558 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000360124086 416372069 /nfs/dbraw/zinc/37/20/69/416372069.db2.gz JQWHOXAQGNLQTH-CYBMUJFWSA-N 1 3 300.447 0.471 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000360124086 416372070 /nfs/dbraw/zinc/37/20/70/416372070.db2.gz JQWHOXAQGNLQTH-CYBMUJFWSA-N 1 3 300.447 0.471 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417785506 416384369 /nfs/dbraw/zinc/38/43/69/416384369.db2.gz DDOSIPFTEXTXOE-LSDHHAIUSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417785506 416384371 /nfs/dbraw/zinc/38/43/71/416384371.db2.gz DDOSIPFTEXTXOE-LSDHHAIUSA-N 1 3 310.442 0.539 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418198492 416385280 /nfs/dbraw/zinc/38/52/80/416385280.db2.gz VLFSCSDIDWMKLM-CQSZACIVSA-N 1 3 323.441 0.805 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418118429 416385294 /nfs/dbraw/zinc/38/52/94/416385294.db2.gz SXISDBJTHMRGAW-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N(C)C1C[NH2+]C1 ZINC000418199845 416385711 /nfs/dbraw/zinc/38/57/11/416385711.db2.gz XTOZHVYMYUPUFT-UHFFFAOYSA-N 1 3 307.398 0.135 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418382725 416386486 /nfs/dbraw/zinc/38/64/86/416386486.db2.gz YXNFIEKDNYWZRH-AWEZNQCLSA-N 1 3 305.426 0.907 20 0 DCADHO COC[C@]1(CNC(=O)NC[C@@H](N)c2ccccc2)CCC[NH2+]1 ZINC000418450211 416387214 /nfs/dbraw/zinc/38/72/14/416387214.db2.gz LFNDDKJLAHFGSC-GDBMZVCRSA-N 1 3 306.410 0.754 20 0 DCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000418867373 416392175 /nfs/dbraw/zinc/39/21/75/416392175.db2.gz OZHZXYIDUJVZQX-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@@H]1CN ZINC000418990417 416395850 /nfs/dbraw/zinc/39/58/50/416395850.db2.gz VRWPCCZKFSSZFD-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@@H]1CN ZINC000418990417 416395851 /nfs/dbraw/zinc/39/58/51/416395851.db2.gz VRWPCCZKFSSZFD-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CCNC(=O)C(=O)N1CCCNCC1)[NH+]1CCCCC1 ZINC000419715134 416405469 /nfs/dbraw/zinc/40/54/69/416405469.db2.gz PADWEGSWUTVUJN-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419735423 416407947 /nfs/dbraw/zinc/40/79/47/416407947.db2.gz QJTFOXNRVGUFIB-AWEZNQCLSA-N 1 3 306.410 0.261 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419784257 416411697 /nfs/dbraw/zinc/41/16/97/416411697.db2.gz WLOLZWLVJVTZMC-IHRRRGAJSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423061959 416461380 /nfs/dbraw/zinc/46/13/80/416461380.db2.gz LWODYZBYMZVBOL-ZIAGYGMSSA-N 1 3 312.458 0.228 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423066385 416466563 /nfs/dbraw/zinc/46/65/63/416466563.db2.gz WUKKFVLLWJPQJU-INIZCTEOSA-N 1 3 312.458 0.230 20 0 DCADHO COC(=O)c1cn(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)nn1 ZINC000423108870 416466990 /nfs/dbraw/zinc/46/69/90/416466990.db2.gz RPNPZKBUYGIJOB-QWHCGFSZSA-N 1 3 309.414 0.965 20 0 DCADHO CN(CC[NH3+])C(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000423160996 416474200 /nfs/dbraw/zinc/47/42/00/416474200.db2.gz IGXFPBYQBHNBAB-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423191229 416475431 /nfs/dbraw/zinc/47/54/31/416475431.db2.gz OTAQGLHKCJZOCI-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000422270421 416423757 /nfs/dbraw/zinc/42/37/57/416423757.db2.gz OLKIIPJKOVBUMK-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458246390 416447793 /nfs/dbraw/zinc/44/77/93/416447793.db2.gz WEJASUJJEMPSNX-MRXNPFEDSA-N 1 3 312.458 0.692 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458246390 416447797 /nfs/dbraw/zinc/44/77/97/416447797.db2.gz WEJASUJJEMPSNX-MRXNPFEDSA-N 1 3 312.458 0.692 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000422953750 416450552 /nfs/dbraw/zinc/45/05/52/416450552.db2.gz GDQGXKYFXGUAFV-NVXWUHKLSA-N 1 3 322.497 0.908 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CCCN1C ZINC000361561799 416450554 /nfs/dbraw/zinc/45/05/54/416450554.db2.gz GMZAUYNKXHOOKD-ZFWWWQNUSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@H]1[C@@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CCCN1C ZINC000361561799 416450558 /nfs/dbraw/zinc/45/05/58/416450558.db2.gz GMZAUYNKXHOOKD-ZFWWWQNUSA-N 1 3 312.458 0.567 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000422977273 416454793 /nfs/dbraw/zinc/45/47/93/416454793.db2.gz WOODTORWTWZAOY-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535718486 416525251 /nfs/dbraw/zinc/52/52/51/416525251.db2.gz WKCPEDDTBJBGMY-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535718486 416525255 /nfs/dbraw/zinc/52/52/55/416525255.db2.gz WKCPEDDTBJBGMY-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000423641214 416534380 /nfs/dbraw/zinc/53/43/80/416534380.db2.gz HLQWMCIBNMSRIL-ZIAGYGMSSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423675845 416538433 /nfs/dbraw/zinc/53/84/33/416538433.db2.gz BQMKLVAXASVUET-KGLIPLIRSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000423694613 416541673 /nfs/dbraw/zinc/54/16/73/416541673.db2.gz KQKSFRZWPMWYSE-OCCSQVGLSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000423737246 416553384 /nfs/dbraw/zinc/55/33/84/416553384.db2.gz SWBYAOMWMFNQHM-INIZCTEOSA-N 1 3 320.437 0.464 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1CC[NH2+]1 ZINC000423745823 416556621 /nfs/dbraw/zinc/55/66/21/416556621.db2.gz MYPNTVMUDRKESO-UONOGXRCSA-N 1 3 311.426 0.614 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423359906 416497547 /nfs/dbraw/zinc/49/75/47/416497547.db2.gz LBXALFANZZZHRB-CHWSQXEVSA-N 1 3 308.430 0.477 20 0 DCADHO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423379740 416501878 /nfs/dbraw/zinc/50/18/78/416501878.db2.gz NCBCLJPBXHDJDZ-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000423769919 416563079 /nfs/dbraw/zinc/56/30/79/416563079.db2.gz CQPVLKCNYLYION-HNKHHVNMSA-N 1 3 303.406 0.346 20 0 DCADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccn(C)n1 ZINC000541733438 416612636 /nfs/dbraw/zinc/61/26/36/416612636.db2.gz VITZCEVZJHYBID-MRXNPFEDSA-N 1 3 323.485 0.851 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000364699998 416590973 /nfs/dbraw/zinc/59/09/73/416590973.db2.gz UDYSKCVBIGKLJR-BPUTZDHNSA-N 1 3 322.453 0.799 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000364699998 416590980 /nfs/dbraw/zinc/59/09/80/416590980.db2.gz UDYSKCVBIGKLJR-BPUTZDHNSA-N 1 3 322.453 0.799 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCN1C ZINC000424137482 416616450 /nfs/dbraw/zinc/61/64/50/416616450.db2.gz BZDOGNAMLKWWFS-FRRDWIJNSA-N 1 3 306.414 0.415 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000366297863 416621864 /nfs/dbraw/zinc/62/18/64/416621864.db2.gz DKZGUJQMHORUIM-SQNIBIBYSA-N 1 3 324.513 0.713 20 0 DCADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000366297863 416621870 /nfs/dbraw/zinc/62/18/70/416621870.db2.gz DKZGUJQMHORUIM-SQNIBIBYSA-N 1 3 324.513 0.713 20 0 DCADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000366297863 416621876 /nfs/dbraw/zinc/62/18/76/416621876.db2.gz DKZGUJQMHORUIM-SQNIBIBYSA-N 1 3 324.513 0.713 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H](N)Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424249574 416632738 /nfs/dbraw/zinc/63/27/38/416632738.db2.gz YHUYXSMCWRWSNP-ARFHVFGLSA-N 1 3 313.405 0.243 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424454979 416649023 /nfs/dbraw/zinc/64/90/23/416649023.db2.gz QVBKVXZZCJWVOQ-VHDGCEQUSA-N 1 3 322.457 0.587 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424454979 416649026 /nfs/dbraw/zinc/64/90/26/416649026.db2.gz QVBKVXZZCJWVOQ-VHDGCEQUSA-N 1 3 322.457 0.587 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000545176457 416665731 /nfs/dbraw/zinc/66/57/31/416665731.db2.gz KOUNXHRZAIWULF-XJKSGUPXSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000545176457 416665736 /nfs/dbraw/zinc/66/57/36/416665736.db2.gz KOUNXHRZAIWULF-XJKSGUPXSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000557199848 416727584 /nfs/dbraw/zinc/72/75/84/416727584.db2.gz MLYBCTYKFYIMLF-UONOGXRCSA-N 1 3 312.458 0.866 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369175170 416729882 /nfs/dbraw/zinc/72/98/82/416729882.db2.gz VFOWYSNTUKOMBN-ZMSDIMECSA-N 1 3 308.470 0.518 20 0 DCADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCCN2CCCC2=O)C1 ZINC000443077148 416731229 /nfs/dbraw/zinc/73/12/29/416731229.db2.gz UEGWVZZLDVAWQX-CQSZACIVSA-N 1 3 310.442 0.176 20 0 DCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369400212 416768048 /nfs/dbraw/zinc/76/80/48/416768048.db2.gz GNAOCGLQEOHNKG-ARFHVFGLSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369400212 416768055 /nfs/dbraw/zinc/76/80/55/416768055.db2.gz GNAOCGLQEOHNKG-ARFHVFGLSA-N 1 3 324.469 0.833 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426710612 416780934 /nfs/dbraw/zinc/78/09/34/416780934.db2.gz KOVURNIVZQPUAT-MRXNPFEDSA-N 1 3 308.470 0.755 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1CC1 ZINC000636612276 416790801 /nfs/dbraw/zinc/79/08/01/416790801.db2.gz AMFMEFVDVVKWIA-OAHLLOKOSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1)C1CC1 ZINC000636612276 416790810 /nfs/dbraw/zinc/79/08/10/416790810.db2.gz AMFMEFVDVVKWIA-OAHLLOKOSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1CC1 ZINC000636612275 416793433 /nfs/dbraw/zinc/79/34/33/416793433.db2.gz AMFMEFVDVVKWIA-HNNXBMFYSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCN1C1CCCC1)C1CC1 ZINC000636612275 416793440 /nfs/dbraw/zinc/79/34/40/416793440.db2.gz AMFMEFVDVVKWIA-HNNXBMFYSA-N 1 3 322.453 0.330 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000631941547 416822764 /nfs/dbraw/zinc/82/27/64/416822764.db2.gz ABZCWTOFEZYDMI-UONOGXRCSA-N 1 3 301.456 0.486 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000518346570 416851125 /nfs/dbraw/zinc/85/11/25/416851125.db2.gz TYGLADUCJXOPOY-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631992562 416852695 /nfs/dbraw/zinc/85/26/95/416852695.db2.gz DGKKJGIDGXHYBT-CABCVRRESA-N 1 3 315.483 0.876 20 0 DCADHO CN(C(=O)CCc1cnc[nH]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373502990 416957901 /nfs/dbraw/zinc/95/79/01/416957901.db2.gz PVKQUEIUKXSYCO-MRXNPFEDSA-N 1 3 319.453 0.969 20 0 DCADHO CN(C(=O)CCc1cnc[nH]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373502990 416957908 /nfs/dbraw/zinc/95/79/08/416957908.db2.gz PVKQUEIUKXSYCO-MRXNPFEDSA-N 1 3 319.453 0.969 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000519290105 416899133 /nfs/dbraw/zinc/89/91/33/416899133.db2.gz AWQQQDIBXGFKDW-DLBZAZTESA-N 1 3 313.486 0.876 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4C[C@]4(O)C3)CC2)CC1 ZINC000641585202 416933828 /nfs/dbraw/zinc/93/38/28/416933828.db2.gz YJQCECDWIBVTAA-YJBOKZPZSA-N 1 3 321.465 0.776 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000520564794 416969416 /nfs/dbraw/zinc/96/94/16/416969416.db2.gz AMMDJUCCSSZXJU-KBPBESRZSA-N 1 3 318.487 0.379 20 0 DCADHO COC[C@]1(CNC(=O)N(C)C[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000641800413 417002661 /nfs/dbraw/zinc/00/26/61/417002661.db2.gz JBCPWIBAQYHNFN-GOEBONIOSA-N 1 3 312.458 0.738 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000375719752 417011476 /nfs/dbraw/zinc/01/14/76/417011476.db2.gz OWGOMALQJUZGOB-STQMWFEESA-N 1 3 307.394 0.706 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000431024067 417100405 /nfs/dbraw/zinc/10/04/05/417100405.db2.gz UNHZCWQJTWOVIE-STQMWFEESA-N 1 3 302.488 0.209 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000389971336 417102302 /nfs/dbraw/zinc/10/23/02/417102302.db2.gz CEDJVJRKILGUFW-DOTOQJQBSA-N 1 3 316.449 0.528 20 0 DCADHO C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632366933 417049265 /nfs/dbraw/zinc/04/92/65/417049265.db2.gz CFUMHCCSQHOBJG-KBPBESRZSA-N 1 3 303.472 0.827 20 0 DCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000430602244 417050114 /nfs/dbraw/zinc/05/01/14/417050114.db2.gz VYDRQASKCHQNKX-CYBMUJFWSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642431201 417051378 /nfs/dbraw/zinc/05/13/78/417051378.db2.gz TWPMLJZJUPXWLR-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000642439705 417051719 /nfs/dbraw/zinc/05/17/19/417051719.db2.gz NMMZNUZHTMOQFM-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000642440190 417057038 /nfs/dbraw/zinc/05/70/38/417057038.db2.gz YFQBOFBBHBFADU-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)COC2CNC2)[C@H](C)C1 ZINC000430704334 417061302 /nfs/dbraw/zinc/06/13/02/417061302.db2.gz IAEUARSRSUFHJX-HIFRSBDPSA-N 1 3 313.442 0.228 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)COC2CNC2)[C@H](C)C1 ZINC000430704334 417061308 /nfs/dbraw/zinc/06/13/08/417061308.db2.gz IAEUARSRSUFHJX-HIFRSBDPSA-N 1 3 313.442 0.228 20 0 DCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000430801611 417070842 /nfs/dbraw/zinc/07/08/42/417070842.db2.gz FDJNTTHOUQLQPK-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000430801611 417070850 /nfs/dbraw/zinc/07/08/50/417070850.db2.gz FDJNTTHOUQLQPK-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC[C@@H]1[NH3+] ZINC000642698726 417072912 /nfs/dbraw/zinc/07/29/12/417072912.db2.gz JHJNMYLYAZXURB-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000568075186 417075423 /nfs/dbraw/zinc/07/54/23/417075423.db2.gz AHDBHZPLQKDZME-WMLDXEAASA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CN)C1CC[NH+](C)CC1 ZINC000642724500 417079185 /nfs/dbraw/zinc/07/91/85/417079185.db2.gz RWHYVKSLNUAPQS-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642773419 417093684 /nfs/dbraw/zinc/09/36/84/417093684.db2.gz XKEVXMLIPZUJEA-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H]([NH2+]C1CC1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000449114321 417123757 /nfs/dbraw/zinc/12/37/57/417123757.db2.gz IMINEKZFCIKYNL-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642809781 417107823 /nfs/dbraw/zinc/10/78/23/417107823.db2.gz SRZVNWXMFZHMCR-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C[C@@H]1CCCCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000404927278 417121351 /nfs/dbraw/zinc/12/13/51/417121351.db2.gz KNGGRRJNKAPVHT-AWEZNQCLSA-N 1 3 320.441 0.759 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000642911699 417121625 /nfs/dbraw/zinc/12/16/25/417121625.db2.gz SLFAMSZWEBUJJT-TUVASFSCSA-N 1 3 322.453 0.458 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000642950355 417129046 /nfs/dbraw/zinc/12/90/46/417129046.db2.gz GZTOUHQKQMLFBS-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000637507302 417126015 /nfs/dbraw/zinc/12/60/15/417126015.db2.gz FPMGNRGTDLULTN-LSDHHAIUSA-N 1 3 312.458 0.689 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637523356 417129890 /nfs/dbraw/zinc/12/98/90/417129890.db2.gz LOVKQMHMIAJVGL-UHFFFAOYSA-N 1 3 309.414 0.422 20 0 DCADHO CN(CCOCC[NH3+])C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000625883394 417153142 /nfs/dbraw/zinc/15/31/42/417153142.db2.gz AGHCVUCEZLFUKK-UHFFFAOYSA-N 1 3 324.429 0.589 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)O1 ZINC000637657249 417158781 /nfs/dbraw/zinc/15/87/81/417158781.db2.gz VSRPOJNAQBBKRR-RDBSUJKOSA-N 1 3 300.447 0.687 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000626911846 417174120 /nfs/dbraw/zinc/17/41/20/417174120.db2.gz CWWZMLBNGYFBDY-GFCCVEGCSA-N 1 3 320.393 0.173 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410889501 417181184 /nfs/dbraw/zinc/18/11/84/417181184.db2.gz YZGQCKLYKACMKO-QGZVFWFLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000410889501 417181189 /nfs/dbraw/zinc/18/11/89/417181189.db2.gz YZGQCKLYKACMKO-QGZVFWFLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCN(C)C2CCCC2)C[C@@H](C)O1 ZINC000568857828 417183983 /nfs/dbraw/zinc/18/39/83/417183983.db2.gz RCYMBDLMUAWXJH-INMHGKMJSA-N 1 3 313.486 0.921 20 0 DCADHO O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000637805556 417189570 /nfs/dbraw/zinc/18/95/70/417189570.db2.gz JBEUXTKVLGEWFS-HOTGVXAUSA-N 1 3 318.421 0.541 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637813980 417195635 /nfs/dbraw/zinc/19/56/35/417195635.db2.gz HJOALEZAVSQXFX-HOTGVXAUSA-N 1 3 304.438 0.562 20 0 DCADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000637823006 417200349 /nfs/dbraw/zinc/20/03/49/417200349.db2.gz HDNCEHGVXCRFCI-XJKSGUPXSA-N 1 3 319.409 0.197 20 0 DCADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN(C)S(C)(=O)=O ZINC000643460811 417215551 /nfs/dbraw/zinc/21/55/51/417215551.db2.gz HRDCXCFRMASRRP-DZGCQCFKSA-N 1 3 313.467 0.816 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC[C@@H]1[NH3+] ZINC000643505766 417230477 /nfs/dbraw/zinc/23/04/77/417230477.db2.gz IOJGBZUKOLEFEM-MCIONIFRSA-N 1 3 310.442 0.125 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643513924 417228996 /nfs/dbraw/zinc/22/89/96/417228996.db2.gz NVAIKGDUPUMTON-WMLDXEAASA-N 1 3 322.453 0.141 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000569693749 417282450 /nfs/dbraw/zinc/28/24/50/417282450.db2.gz ZIXVBZJWRBPKAR-BZUAXINKSA-N 1 3 308.470 0.790 20 0 DCADHO C[C@@H](CN1CCOCC1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433163774 417240117 /nfs/dbraw/zinc/24/01/17/417240117.db2.gz PKEQTGMDWIEFDS-AWEZNQCLSA-N 1 3 312.458 0.027 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643558719 417246080 /nfs/dbraw/zinc/24/60/80/417246080.db2.gz UBLPXUIKUKTHOX-QLFBSQMISA-N 1 3 322.453 0.138 20 0 DCADHO O=C(NC[C@@H]1CCN(C2CC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433373514 417261146 /nfs/dbraw/zinc/26/11/46/417261146.db2.gz CRKYPXINGZXKQJ-GXTWGEPZSA-N 1 3 318.425 0.417 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414839770 417305999 /nfs/dbraw/zinc/30/59/99/417305999.db2.gz JITWXHWBDYWZEU-CQSZACIVSA-N 1 3 304.394 0.684 20 0 DCADHO COC[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CCCCN1 ZINC000638070750 417311498 /nfs/dbraw/zinc/31/14/98/417311498.db2.gz VZOUVKFZCMXOLD-MRXNPFEDSA-N 1 3 313.442 0.108 20 0 DCADHO C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CNCCO2)c1 ZINC000414891209 417311740 /nfs/dbraw/zinc/31/17/40/417311740.db2.gz VPWJONAZTGNLSE-HNNXBMFYSA-N 1 3 322.409 0.737 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c1 ZINC000414888117 417312005 /nfs/dbraw/zinc/31/20/05/417312005.db2.gz XQZYXORHXHONML-HNNXBMFYSA-N 1 3 318.421 0.801 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000638076585 417314704 /nfs/dbraw/zinc/31/47/04/417314704.db2.gz LWCBMALZFWUGIB-SJORKVTESA-N 1 3 318.465 0.902 20 0 DCADHO CCN1CCN(c2ccccc2CN(C)C[C@@H](O)C[NH3+])CC1 ZINC000415071337 417326354 /nfs/dbraw/zinc/32/63/54/417326354.db2.gz SORQAHFXNXOMSE-INIZCTEOSA-N 1 3 306.454 0.580 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638171209 417363360 /nfs/dbraw/zinc/36/33/60/417363360.db2.gz PIMFGDQXFCOJJK-INIZCTEOSA-N 1 3 313.442 0.183 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000638249108 417393552 /nfs/dbraw/zinc/39/35/52/417393552.db2.gz MPDQNCWHFCVFHH-OKILXGFUSA-N 1 3 305.426 0.516 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000570865580 417402474 /nfs/dbraw/zinc/40/24/74/417402474.db2.gz AGTCXWYZIXLMGG-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000570913044 417404625 /nfs/dbraw/zinc/40/46/25/417404625.db2.gz YZCHHXPKZDIFOA-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000638341920 417426973 /nfs/dbraw/zinc/42/69/73/417426973.db2.gz DDELAGROYWZSBN-CVEARBPZSA-N 1 3 320.437 0.022 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000638342951 417427029 /nfs/dbraw/zinc/42/70/29/417427029.db2.gz PFMHRUVEQDLMJA-HUUCEWRRSA-N 1 3 315.458 0.415 20 0 DCADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000638348221 417430753 /nfs/dbraw/zinc/43/07/53/417430753.db2.gz FHVNYRMKCIILCZ-HQHYIBOGSA-N 1 3 321.396 0.846 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000638204868 417372854 /nfs/dbraw/zinc/37/28/54/417372854.db2.gz RMFKNMZPCZUVCR-ZIAGYGMSSA-N 1 3 301.431 0.086 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000528677636 417377020 /nfs/dbraw/zinc/37/70/20/417377020.db2.gz DEIZELAASOLRTR-LBPRGKRZSA-N 1 3 306.414 0.851 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638221794 417378763 /nfs/dbraw/zinc/37/87/63/417378763.db2.gz ZCYVFDDDRDWCON-WBVHZDCISA-N 1 3 304.438 0.643 20 0 DCADHO C[NH2+]CCOCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000638578236 417492961 /nfs/dbraw/zinc/49/29/61/417492961.db2.gz LLQVDAQIKNBHRV-INIZCTEOSA-N 1 3 320.437 0.646 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000638358144 417433955 /nfs/dbraw/zinc/43/39/55/417433955.db2.gz SQDKLNLXJDKSNH-INIZCTEOSA-N 1 3 316.449 0.800 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CNCc3ccccc32)n1 ZINC000573719344 417474892 /nfs/dbraw/zinc/47/48/92/417474892.db2.gz IPCBQDTVIPVACT-HNNXBMFYSA-N 1 3 313.405 1.270 20 0 DCADHO CN(C[C@H](O)C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000575377320 417532881 /nfs/dbraw/zinc/53/28/81/417532881.db2.gz LDHLLSMHCMQGKO-ZACQAIPSSA-N 1 3 311.470 0.409 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1=O ZINC000638778763 417554847 /nfs/dbraw/zinc/55/48/47/417554847.db2.gz MHFYXILSWRAGQF-GBJTYRQASA-N 1 3 322.453 0.186 20 0 DCADHO CNS(=O)(=O)CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000635008737 417554927 /nfs/dbraw/zinc/55/49/27/417554927.db2.gz UVXFRZHLEXZMED-BFHYXJOUSA-N 1 3 303.472 0.826 20 0 DCADHO CNS(=O)(=O)CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000635008745 417556514 /nfs/dbraw/zinc/55/65/14/417556514.db2.gz UVXFRZHLEXZMED-MELADBBJSA-N 1 3 303.472 0.826 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NCCN1CCC(OC)CC1 ZINC000638592055 417499075 /nfs/dbraw/zinc/49/90/75/417499075.db2.gz RGWONLJRQGOWRO-UHFFFAOYSA-N 1 3 300.447 0.914 20 0 DCADHO CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC000452978931 417514964 /nfs/dbraw/zinc/51/49/64/417514964.db2.gz SSFMZLUUFZQPDN-KBMXLJTQSA-N 1 3 307.438 0.792 20 0 DCADHO CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC000452978931 417514969 /nfs/dbraw/zinc/51/49/69/417514969.db2.gz SSFMZLUUFZQPDN-KBMXLJTQSA-N 1 3 307.438 0.792 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638638645 417522564 /nfs/dbraw/zinc/52/25/64/417522564.db2.gz FLTGFOLOZXOWIR-ZIAGYGMSSA-N 1 3 301.431 0.228 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccn(C)n1 ZINC000575337803 417529344 /nfs/dbraw/zinc/52/93/44/417529344.db2.gz ULSUYCSBGAZQRA-ZDUSSCGKSA-N 1 3 310.446 0.616 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638983470 417596072 /nfs/dbraw/zinc/59/60/72/417596072.db2.gz AMMNJJIKHADEIX-XJKSGUPXSA-N 1 3 301.394 0.429 20 0 DCADHO COCCCN1CCC(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000576343714 417600225 /nfs/dbraw/zinc/60/02/25/417600225.db2.gz ZANCLQPFJJBLPR-OLZOCXBDSA-N 1 3 300.447 0.912 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)C2)cc1 ZINC000639001009 417602352 /nfs/dbraw/zinc/60/23/52/417602352.db2.gz FABXPSXYUQSXTI-IAGOWNOFSA-N 1 3 318.465 0.965 20 0 DCADHO CC(C)(C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)N1CCNCC1 ZINC000638873604 417572504 /nfs/dbraw/zinc/57/25/04/417572504.db2.gz JUQPIUGIVQWKGG-MRXNPFEDSA-N 1 3 318.465 0.747 20 0 DCADHO CO[C@H](CN)C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000576042009 417574548 /nfs/dbraw/zinc/57/45/48/417574548.db2.gz YSNQYJVVZCWNLS-HUUCEWRRSA-N 1 3 306.410 0.526 20 0 DCADHO CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576648761 417627638 /nfs/dbraw/zinc/62/76/38/417627638.db2.gz QJAUYUJODUOVJN-WMZOPIPTSA-N 1 3 317.433 0.691 20 0 DCADHO CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576648761 417627645 /nfs/dbraw/zinc/62/76/45/417627645.db2.gz QJAUYUJODUOVJN-WMZOPIPTSA-N 1 3 317.433 0.691 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000576773774 417637172 /nfs/dbraw/zinc/63/71/72/417637172.db2.gz PJEYRYACPRPXQM-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC000644735754 417650825 /nfs/dbraw/zinc/65/08/25/417650825.db2.gz FGRADFMAFSHFQK-GOEBONIOSA-N 1 3 308.470 0.611 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)COCC[NH3+])cc2)CC1 ZINC000645507471 417748549 /nfs/dbraw/zinc/74/85/49/417748549.db2.gz OATVLJZAVXFSLX-UHFFFAOYSA-N 1 3 320.437 0.026 20 0 DCADHO C[NH+](C)CCN1CCC(Nc2nc(N)nc3c2CCCC3)CC1 ZINC000645119817 417703478 /nfs/dbraw/zinc/70/34/78/417703478.db2.gz OVWGVBIAPLKUAR-UHFFFAOYSA-N 1 3 318.469 0.797 20 0 DCADHO CN(C)CC[NH+]1CCC(Nc2nc(N)nc3c2CCCC3)CC1 ZINC000645119817 417703483 /nfs/dbraw/zinc/70/34/83/417703483.db2.gz OVWGVBIAPLKUAR-UHFFFAOYSA-N 1 3 318.469 0.797 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC000635570513 417706756 /nfs/dbraw/zinc/70/67/56/417706756.db2.gz DMYNLKYHTFRZLZ-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000580566688 417715308 /nfs/dbraw/zinc/71/53/08/417715308.db2.gz BCHLSKVYFNVWNA-RDJZCZTQSA-N 1 3 313.486 0.732 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000580566688 417715314 /nfs/dbraw/zinc/71/53/14/417715314.db2.gz BCHLSKVYFNVWNA-RDJZCZTQSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@H](CNC(=O)N1CCOC2(CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000645262728 417720613 /nfs/dbraw/zinc/72/06/13/417720613.db2.gz DTHMCJPJZCBWDM-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H](CNC(=O)N1CCOC2(CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000645262728 417720615 /nfs/dbraw/zinc/72/06/15/417720615.db2.gz DTHMCJPJZCBWDM-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000458163421 417727255 /nfs/dbraw/zinc/72/72/55/417727255.db2.gz JETNRWBFTOVYQZ-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000458163421 417727260 /nfs/dbraw/zinc/72/72/60/417727260.db2.gz JETNRWBFTOVYQZ-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CC(=O)N1CCN(C(=O)CN2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639763618 417736793 /nfs/dbraw/zinc/73/67/93/417736793.db2.gz ROXPLWLQJIZJCC-UHFFFAOYSA-N 1 3 322.453 0.095 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336073 417834094 /nfs/dbraw/zinc/83/40/94/417834094.db2.gz HGOBHXDZLSIFKM-RFJMFJJWSA-N 1 3 307.438 0.729 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCN1 ZINC000646329601 417834971 /nfs/dbraw/zinc/83/49/71/417834971.db2.gz OIHDFURDIQOSBV-CHWSQXEVSA-N 1 3 306.414 0.100 20 0 DCADHO O=C(C[C@H]1NCc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662517189 417790826 /nfs/dbraw/zinc/79/08/26/417790826.db2.gz KJLUBFMKHDCMHB-NVXWUHKLSA-N 1 3 314.433 0.727 20 0 DCADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662517699 417792246 /nfs/dbraw/zinc/79/22/46/417792246.db2.gz WSOKZEYQZBVTSS-NVXWUHKLSA-N 1 3 314.433 0.727 20 0 DCADHO CN(C)CCn1cc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cn1 ZINC000645803316 417798122 /nfs/dbraw/zinc/79/81/22/417798122.db2.gz PYIDXVVBIQIKLS-YHWZYXNKSA-N 1 3 319.409 0.198 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645855793 417808815 /nfs/dbraw/zinc/80/88/15/417808815.db2.gz USWARNJHASZJRC-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](NC)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000662574259 417811332 /nfs/dbraw/zinc/81/13/32/417811332.db2.gz JQPINYLXTSCCHM-CQSZACIVSA-N 1 3 320.437 0.907 20 0 DCADHO NC[C@H](NC(=O)c1cc(C2CC[NH2+]CC2)no1)C(F)(F)F ZINC000662586791 417814994 /nfs/dbraw/zinc/81/49/94/417814994.db2.gz ZWBZNJZPVIIDRD-JTQLQIEISA-N 1 3 306.288 0.761 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)NCCN(C)CCOC ZINC000652145305 417851444 /nfs/dbraw/zinc/85/14/44/417851444.db2.gz KKGVBNOBCDFYRQ-UHFFFAOYSA-N 1 3 308.426 0.783 20 0 DCADHO C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)N(C)C1CC1 ZINC000662714109 417869013 /nfs/dbraw/zinc/86/90/13/417869013.db2.gz WLXMBJRCHMYJPI-JSGCOSHPSA-N 1 3 320.441 0.805 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662726450 417875345 /nfs/dbraw/zinc/87/53/45/417875345.db2.gz PTNNUWOBYIRPBG-KGLIPLIRSA-N 1 3 313.442 0.356 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC(=O)N3CCOCC3)C2)C1 ZINC000652345854 417888359 /nfs/dbraw/zinc/88/83/59/417888359.db2.gz NSENVJVDQMGUJW-ZNMIVQPWSA-N 1 3 311.426 0.064 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCN2C(=O)CCC2=O)C1 ZINC000652361437 417891395 /nfs/dbraw/zinc/89/13/95/417891395.db2.gz HKLRXSQKJAIWBY-RDBSUJKOSA-N 1 3 309.410 0.496 20 0 DCADHO CNS(=O)(=O)CCCN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363069 417892508 /nfs/dbraw/zinc/89/25/08/417892508.db2.gz XFVWNVGVTRPXTA-MJBXVCDLSA-N 1 3 319.471 0.287 20 0 DCADHO C[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)CN1CCN(C)CC1 ZINC000662758805 417894532 /nfs/dbraw/zinc/89/45/32/417894532.db2.gz UEOCEOOHZICOBP-AWEZNQCLSA-N 1 3 308.470 0.661 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662792263 417905208 /nfs/dbraw/zinc/90/52/08/417905208.db2.gz ZXAPIBMMANFJBR-UHFFFAOYSA-N 1 3 308.470 0.744 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662661224 417839831 /nfs/dbraw/zinc/83/98/31/417839831.db2.gz NFLXKYVKXSGCRN-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](N)CC(F)F)CC2)C1 ZINC000646003070 417845595 /nfs/dbraw/zinc/84/55/95/417845595.db2.gz PSVMMIUSELMTIF-VXGBXAGGSA-N 1 3 304.385 0.207 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](N)CC(F)F)CC2)C1 ZINC000646003070 417845597 /nfs/dbraw/zinc/84/55/97/417845597.db2.gz PSVMMIUSELMTIF-VXGBXAGGSA-N 1 3 304.385 0.207 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)C1CC[NH2+]CC1 ZINC000662859732 417926598 /nfs/dbraw/zinc/92/65/98/417926598.db2.gz NWKOJPGQQBCVGR-KRWDZBQOSA-N 1 3 317.433 0.869 20 0 DCADHO [NH3+]CCCCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857714 417928632 /nfs/dbraw/zinc/92/86/32/417928632.db2.gz CMMCKACDPVXUNU-MRXNPFEDSA-N 1 3 305.422 0.998 20 0 DCADHO C[C@@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)C[C@@]1(C)C[NH3+] ZINC000652612364 417931504 /nfs/dbraw/zinc/93/15/04/417931504.db2.gz QDPHZOMBXBYIAH-IUODEOHRSA-N 1 3 308.430 0.893 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000652674594 417940560 /nfs/dbraw/zinc/94/05/60/417940560.db2.gz BIADTJMOSOQWOC-UHFFFAOYSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652682178 417942828 /nfs/dbraw/zinc/94/28/28/417942828.db2.gz DBHXUHXCXVZCPR-CQSZACIVSA-N 1 3 324.469 0.340 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652686740 417944945 /nfs/dbraw/zinc/94/49/45/417944945.db2.gz ODUNEESQYYDVSG-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO CC[N@H+](CCCNC(=O)C(=O)N(C)CCN)C1CCCCC1 ZINC000652708408 417951011 /nfs/dbraw/zinc/95/10/11/417951011.db2.gz STBLQFDFJCFBNF-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO CC[N@@H+](CCCNC(=O)C(=O)N(C)CCN)C1CCCCC1 ZINC000652708408 417951013 /nfs/dbraw/zinc/95/10/13/417951013.db2.gz STBLQFDFJCFBNF-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652712532 417951867 /nfs/dbraw/zinc/95/18/67/417951867.db2.gz UBYWMVYVWWODRB-UHFFFAOYSA-N 1 3 322.453 0.318 20 0 DCADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714590 417953632 /nfs/dbraw/zinc/95/36/32/417953632.db2.gz NMOXVNYHCXFYLF-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662935093 417956547 /nfs/dbraw/zinc/95/65/47/417956547.db2.gz SQSFRIPYSOSZAZ-UHFFFAOYSA-N 1 3 324.425 0.366 20 0 DCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662939313 417958028 /nfs/dbraw/zinc/95/80/28/417958028.db2.gz UFUWSBZNTGXOPZ-XOYHFGRZSA-N 1 3 322.453 0.269 20 0 DCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662939313 417958033 /nfs/dbraw/zinc/95/80/33/417958033.db2.gz UFUWSBZNTGXOPZ-XOYHFGRZSA-N 1 3 322.453 0.269 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000662972462 417967277 /nfs/dbraw/zinc/96/72/77/417967277.db2.gz JLELTSKMLPWXKN-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-n2cncn2)cc1 ZINC000647493452 418014501 /nfs/dbraw/zinc/01/45/01/418014501.db2.gz SBRWVRSQOVLHCJ-UHFFFAOYSA-N 1 3 300.410 0.604 20 0 DCADHO CC(C(=O)NC[C@@H]1CCCC[NH2+]1)S(=O)(=O)C1CCOCC1 ZINC000647577430 418026626 /nfs/dbraw/zinc/02/66/26/418026626.db2.gz FGWFKBWDRPDEJA-NEPJUHHUSA-N 1 3 318.439 0.227 20 0 DCADHO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663503537 418026929 /nfs/dbraw/zinc/02/69/29/418026929.db2.gz OPDBKMSAEMSYJF-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663503537 418026931 /nfs/dbraw/zinc/02/69/31/418026931.db2.gz OPDBKMSAEMSYJF-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@H](N)CC[NH+](C)C ZINC000653111954 418027984 /nfs/dbraw/zinc/02/79/84/418027984.db2.gz HJLZHQYZAUCCAB-JKSUJKDBSA-N 1 3 306.454 0.555 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653118808 418030301 /nfs/dbraw/zinc/03/03/01/418030301.db2.gz SQHZXQHXWKPFQH-CQSZACIVSA-N 1 3 314.474 0.271 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CCOC2CNC2)C1 ZINC000653259988 418049613 /nfs/dbraw/zinc/04/96/13/418049613.db2.gz BDBJKIVRQWLABK-YUELXQCFSA-N 1 3 311.426 0.252 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659520944 418111010 /nfs/dbraw/zinc/11/10/10/418111010.db2.gz AJROCDZXDIJDJC-CYBMUJFWSA-N 1 3 315.462 0.021 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N(C)CCN1CCCCC1)C1CC1 ZINC000653388547 418067381 /nfs/dbraw/zinc/06/73/81/418067381.db2.gz DWISNUWLTOPWOR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N(C)CCN1CCCCC1)C1CC1 ZINC000653388547 418067385 /nfs/dbraw/zinc/06/73/85/418067385.db2.gz DWISNUWLTOPWOR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCOCC1 ZINC000647977583 418082829 /nfs/dbraw/zinc/08/28/29/418082829.db2.gz DUNVBJGCSLMLNB-HUUCEWRRSA-N 1 3 309.454 0.993 20 0 DCADHO [NH3+]CC1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000659609127 418125581 /nfs/dbraw/zinc/12/55/81/418125581.db2.gz STUIMEADWDOYRE-HNNXBMFYSA-N 1 3 310.442 0.620 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000659608888 418125947 /nfs/dbraw/zinc/12/59/47/418125947.db2.gz GRXXHIUMMGNVAU-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659615166 418127328 /nfs/dbraw/zinc/12/73/28/418127328.db2.gz HYGHKLZFHXHKJK-UHFFFAOYSA-N 1 3 309.458 0.017 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000659634483 418133275 /nfs/dbraw/zinc/13/32/75/418133275.db2.gz ASTDFIONJATAND-QLFBSQMISA-N 1 3 311.474 0.262 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659680789 418143824 /nfs/dbraw/zinc/14/38/24/418143824.db2.gz KZHVFGQHBACBCS-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659695456 418149833 /nfs/dbraw/zinc/14/98/33/418149833.db2.gz XVPYOTLEHRNXEL-RJZRQDKASA-N 1 3 322.453 0.171 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CC3CC2(CN)C3)CCCCC1 ZINC000659708986 418156188 /nfs/dbraw/zinc/15/61/88/418156188.db2.gz BZMGHHJCBZSUOX-UHFFFAOYSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000659713965 418158695 /nfs/dbraw/zinc/15/86/95/418158695.db2.gz SETFUJUHPVKQBW-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000659719115 418161502 /nfs/dbraw/zinc/16/15/02/418161502.db2.gz VAWBLYPGEYQNBC-RDBSUJKOSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659721820 418162481 /nfs/dbraw/zinc/16/24/81/418162481.db2.gz IRGXBMZDFGTKCQ-UPJWGTAASA-N 1 3 310.442 0.090 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000659725964 418164501 /nfs/dbraw/zinc/16/45/01/418164501.db2.gz FOTKWICEHNXEDG-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CCCNCC1 ZINC000659737468 418170701 /nfs/dbraw/zinc/17/07/01/418170701.db2.gz UODHQYAARLMDLW-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CCCNCC1 ZINC000659737468 418170704 /nfs/dbraw/zinc/17/07/04/418170704.db2.gz UODHQYAARLMDLW-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1 ZINC000659738009 418171323 /nfs/dbraw/zinc/17/13/23/418171323.db2.gz XQBCQWWGWKEHPG-QWHCGFSZSA-N 1 3 308.426 0.069 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744591 418174556 /nfs/dbraw/zinc/17/45/56/418174556.db2.gz XSGQCLJATWSGKO-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350614 418247632 /nfs/dbraw/zinc/24/76/32/418247632.db2.gz SJIYQDFIQSKQJG-ZDUSSCGKSA-N 1 3 318.412 0.375 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000654773893 418187375 /nfs/dbraw/zinc/18/73/75/418187375.db2.gz LVYVVWYQTFMOOQ-WBVHZDCISA-N 1 3 322.497 0.955 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000654773893 418187379 /nfs/dbraw/zinc/18/73/79/418187379.db2.gz LVYVVWYQTFMOOQ-WBVHZDCISA-N 1 3 322.497 0.955 20 0 DCADHO CN(C)[C@]1(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCSC1 ZINC000649296553 418226346 /nfs/dbraw/zinc/22/63/46/418226346.db2.gz QWHCKJGFVAZUBA-JQWIXIFHSA-N 1 3 307.410 0.785 20 0 DCADHO [NH3+]CCOc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655910377 418298647 /nfs/dbraw/zinc/29/86/47/418298647.db2.gz ZTYLKPRZQUBZFU-UONOGXRCSA-N 1 3 320.393 0.307 20 0 DCADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000656023211 418319668 /nfs/dbraw/zinc/31/96/68/418319668.db2.gz YJYVJBSYSTZWIB-KFWWJZLASA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028735 418321307 /nfs/dbraw/zinc/32/13/07/418321307.db2.gz PVLYJJSJGLQDLW-LJISPDSOSA-N 1 3 322.453 0.315 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656027517 418321365 /nfs/dbraw/zinc/32/13/65/418321365.db2.gz CGDFUHPWPBBRNO-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656029368 418321977 /nfs/dbraw/zinc/32/19/77/418321977.db2.gz YWYIZFKAJIRBAS-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C[C@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000660476179 418262677 /nfs/dbraw/zinc/26/26/77/418262677.db2.gz XQJNCIOEKORPED-IRXDYDNUSA-N 1 3 311.470 0.628 20 0 DCADHO CN(C[C@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000660476179 418262679 /nfs/dbraw/zinc/26/26/79/418262679.db2.gz XQJNCIOEKORPED-IRXDYDNUSA-N 1 3 311.470 0.628 20 0 DCADHO C[N@H+](C[C@H](O)CN1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000660476179 418262680 /nfs/dbraw/zinc/26/26/80/418262680.db2.gz XQJNCIOEKORPED-IRXDYDNUSA-N 1 3 311.470 0.628 20 0 DCADHO C[N@@H+](C[C@H](O)CN1CCC[C@H](N2CCOCC2)CC1)C1CC1 ZINC000660476179 418262682 /nfs/dbraw/zinc/26/26/82/418262682.db2.gz XQJNCIOEKORPED-IRXDYDNUSA-N 1 3 311.470 0.628 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656282537 418339912 /nfs/dbraw/zinc/33/99/12/418339912.db2.gz NFEPCHIDTRZJRW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO Cn1c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000662290545 418397761 /nfs/dbraw/zinc/39/77/61/418397761.db2.gz GBCIZKBHNNIQNK-CQSZACIVSA-N 1 3 320.437 0.296 20 0 DCADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000662261218 418394479 /nfs/dbraw/zinc/39/44/79/418394479.db2.gz GLNLJDKEALUAHT-KBPBESRZSA-N 1 3 317.437 0.925 20 0 DCADHO CC(C)(C)n1nnc(CCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000662272731 418395742 /nfs/dbraw/zinc/39/57/42/418395742.db2.gz HJDKXEDUWFMHKO-HIFRSBDPSA-N 1 3 322.457 0.799 20 0 DCADHO CN1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@@H](CN)C1 ZINC000662429367 418409463 /nfs/dbraw/zinc/40/94/63/418409463.db2.gz OWDOMPUEFUMPDB-HOTGVXAUSA-N 1 3 316.449 0.780 20 0 DCADHO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[C@H](N2CCCC2)C1 ZINC000662439017 418410178 /nfs/dbraw/zinc/41/01/78/418410178.db2.gz GKNUXLCWJUPUBO-STQMWFEESA-N 1 3 303.410 0.797 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295698 418399676 /nfs/dbraw/zinc/39/96/76/418399676.db2.gz HVXAPUXIADMDRU-CQSZACIVSA-N 1 3 303.472 0.637 20 0 DCADHO CC(=O)N1CCN(C(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662313468 418400173 /nfs/dbraw/zinc/40/01/73/418400173.db2.gz QTNIEOQBSBBWAQ-GDBMZVCRSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1([NH3+])CCCC1 ZINC000237027358 261156911 /nfs/dbraw/zinc/15/69/11/261156911.db2.gz CTAWYJXSKHXKMZ-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000354646734 261251109 /nfs/dbraw/zinc/25/11/09/261251109.db2.gz ISZKPRLHCRIQJE-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000354646734 261251112 /nfs/dbraw/zinc/25/11/12/261251112.db2.gz ISZKPRLHCRIQJE-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000354652867 261251455 /nfs/dbraw/zinc/25/14/55/261251455.db2.gz DZSVMRPQNQUXDE-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC(N(C)C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354685069 261258753 /nfs/dbraw/zinc/25/87/53/261258753.db2.gz YEGHUXKXMWPASL-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354703608 261262454 /nfs/dbraw/zinc/26/24/54/261262454.db2.gz ZSRPTWHMJXSYNX-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354722204 261262958 /nfs/dbraw/zinc/26/29/58/261262958.db2.gz ZGEIIOYIHDQYPW-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO COCCNCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000370767258 262148482 /nfs/dbraw/zinc/14/84/82/262148482.db2.gz RZCUEDPJCNJTLQ-MRXNPFEDSA-N 1 3 305.422 0.955 20 0 DCADHO COCCNCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000370767258 262148484 /nfs/dbraw/zinc/14/84/84/262148484.db2.gz RZCUEDPJCNJTLQ-MRXNPFEDSA-N 1 3 305.422 0.955 20 0 DCADHO CCN1CC[C@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000413862496 262225116 /nfs/dbraw/zinc/22/51/16/262225116.db2.gz SEHRFMNIMSYLCS-JYJNAYRXSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000416979903 262243319 /nfs/dbraw/zinc/24/33/19/262243319.db2.gz SRPCHKVDNPDBKL-UONOGXRCSA-N 1 3 311.474 0.404 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000417094456 262245693 /nfs/dbraw/zinc/24/56/93/262245693.db2.gz QOGPYONRCAOBDA-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2CCN[C@H](C)[C@H]2C)CC1 ZINC000417441539 262252232 /nfs/dbraw/zinc/25/22/32/262252232.db2.gz QJQOJECJQACQMY-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000417587137 262255885 /nfs/dbraw/zinc/25/58/85/262255885.db2.gz NOZHTXQWKKYPHT-HOCLYGCPSA-N 1 3 320.437 0.876 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417698626 262257681 /nfs/dbraw/zinc/25/76/81/262257681.db2.gz DUTWGFFTYMKEIF-HUUCEWRRSA-N 1 3 306.410 0.706 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000417745784 262259960 /nfs/dbraw/zinc/25/99/60/262259960.db2.gz FNIMLOFDQIIVKN-KGLIPLIRSA-N 1 3 300.447 0.866 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000417745785 262260245 /nfs/dbraw/zinc/26/02/45/262260245.db2.gz FNIMLOFDQIIVKN-UONOGXRCSA-N 1 3 300.447 0.866 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417944537 262265674 /nfs/dbraw/zinc/26/56/74/262265674.db2.gz DXNHCXVLWNNMCO-CYBMUJFWSA-N 1 3 309.414 0.559 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CCC[NH2+]C2)ccn1 ZINC000417956361 262266118 /nfs/dbraw/zinc/26/61/18/262266118.db2.gz SSJYBRQDBFPRDS-CQSZACIVSA-N 1 3 321.425 0.573 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418073111 262269270 /nfs/dbraw/zinc/26/92/70/262269270.db2.gz WIXDICVIXUWFAM-CABCVRRESA-N 1 3 312.458 0.596 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418114138 262270451 /nfs/dbraw/zinc/27/04/51/262270451.db2.gz LDELPDQPVPMHGP-CABCVRRESA-N 1 3 312.458 0.786 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000418287441 262273909 /nfs/dbraw/zinc/27/39/09/262273909.db2.gz KBVLKWPUYCIBRP-OAHLLOKOSA-N 1 3 311.474 0.406 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418474755 262278722 /nfs/dbraw/zinc/27/87/22/262278722.db2.gz UZHVFUHEQRJQCN-AWEZNQCLSA-N 1 3 314.474 0.896 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418529722 262281908 /nfs/dbraw/zinc/28/19/08/262281908.db2.gz UAAKSZABTLQFJL-VNQPRFMTSA-N 1 3 320.437 0.516 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418828281 262291415 /nfs/dbraw/zinc/29/14/15/262291415.db2.gz CUYVJXXVCZOOBZ-HIFRSBDPSA-N 1 3 320.437 0.129 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418919302 262297916 /nfs/dbraw/zinc/29/79/16/262297916.db2.gz ADFHDVOCFKAMEV-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)CC(C)C)CC1 ZINC000418918428 262298239 /nfs/dbraw/zinc/29/82/39/262298239.db2.gz VQESTRGZRCSYJI-CQSZACIVSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419017677 262305371 /nfs/dbraw/zinc/30/53/71/262305371.db2.gz BFXHTSIQVTZEPS-RFQIPJPRSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419080683 262307182 /nfs/dbraw/zinc/30/71/82/262307182.db2.gz PYONBCQNNAKUJM-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000419096001 262309000 /nfs/dbraw/zinc/30/90/00/262309000.db2.gz BOXVWURBQLPXTF-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419097595 262309172 /nfs/dbraw/zinc/30/91/72/262309172.db2.gz FBVYXJZNEWOVKG-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419097596 262309183 /nfs/dbraw/zinc/30/91/83/262309183.db2.gz FBVYXJZNEWOVKG-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419103450 262309340 /nfs/dbraw/zinc/30/93/40/262309340.db2.gz GBUKCRTUWAWWGG-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419125447 262311050 /nfs/dbraw/zinc/31/10/50/262311050.db2.gz TYSSDECHGNIGSB-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419165863 262315756 /nfs/dbraw/zinc/31/57/56/262315756.db2.gz GRCFSPKOEKZUHI-HNNXBMFYSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCC(C)CC1 ZINC000419176417 262317629 /nfs/dbraw/zinc/31/76/29/262317629.db2.gz ZBQDTHQMLXMAHN-WLYUNCDWSA-N 1 3 324.469 0.609 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)NC1CC[NH2+]CC1 ZINC000419228779 262321618 /nfs/dbraw/zinc/32/16/18/262321618.db2.gz MSWVXMFUOBDRDB-OAHLLOKOSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419411324 262331312 /nfs/dbraw/zinc/33/13/12/262331312.db2.gz BNFINJPNIGZEDT-HIFRSBDPSA-N 1 3 318.421 0.403 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419595393 262339683 /nfs/dbraw/zinc/33/96/83/262339683.db2.gz WNLXRTVKDVFEDE-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419690841 262345138 /nfs/dbraw/zinc/34/51/38/262345138.db2.gz CVPXVIOSYJCRQF-IPYPFGDCSA-N 1 3 322.453 0.234 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419693058 262345802 /nfs/dbraw/zinc/34/58/02/262345802.db2.gz HZFIZZIXHUWFKU-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419695050 262346249 /nfs/dbraw/zinc/34/62/49/262346249.db2.gz LWOLCYFAYNMHGJ-HIFRSBDPSA-N 1 3 322.453 0.330 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419700115 262347680 /nfs/dbraw/zinc/34/76/80/262347680.db2.gz XCSSHYUVWYQPGH-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCC[C@H](C)C1 ZINC000419850235 262349402 /nfs/dbraw/zinc/34/94/02/262349402.db2.gz FALVOAILQSQEAM-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419912886 262352436 /nfs/dbraw/zinc/35/24/36/262352436.db2.gz XVMIEUZKBNYCHU-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419925858 262352718 /nfs/dbraw/zinc/35/27/18/262352718.db2.gz IXAYXCYXAASGBY-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419926025 262353398 /nfs/dbraw/zinc/35/33/98/262353398.db2.gz AQTCSRWSYFJTBZ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000419968771 262354336 /nfs/dbraw/zinc/35/43/36/262354336.db2.gz FEMLFVOLAOLLQB-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419993030 262356042 /nfs/dbraw/zinc/35/60/42/262356042.db2.gz KDMUCQRCEAHQRN-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419990465 262356156 /nfs/dbraw/zinc/35/61/56/262356156.db2.gz GAWDYCMLGSPFPX-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420056116 262357945 /nfs/dbraw/zinc/35/79/45/262357945.db2.gz IGZKPCMUILNQMY-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000420138486 262362588 /nfs/dbraw/zinc/36/25/88/262362588.db2.gz FKZOMXLRCCVFNS-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000420158385 262364779 /nfs/dbraw/zinc/36/47/79/262364779.db2.gz HGNUWYQKFBJPKQ-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCNc1nc(NC[C@H]2C[NH2+]CCCO2)nc(NC(C)(C)C)n1 ZINC000420262597 262367815 /nfs/dbraw/zinc/36/78/15/262367815.db2.gz AVWCRYXDFKBGQJ-LLVKDONJSA-N 1 3 323.445 0.148 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCC(=O)NC1CCN(C2CC2)CC1 ZINC000420357410 262370409 /nfs/dbraw/zinc/37/04/09/262370409.db2.gz DJHBNRABLPJJAA-IIYDPXPESA-N 1 3 308.470 0.706 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000423197739 262432957 /nfs/dbraw/zinc/43/29/57/262432957.db2.gz AVRFXDKLYKOTMW-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423717597 262456215 /nfs/dbraw/zinc/45/62/15/262456215.db2.gz BCTCLBDTJLJARE-KKUMJFAQSA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000423717597 262456216 /nfs/dbraw/zinc/45/62/16/262456216.db2.gz BCTCLBDTJLJARE-KKUMJFAQSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]1 ZINC000358742956 271066570 /nfs/dbraw/zinc/06/65/70/271066570.db2.gz LEXNEENVPXHKGY-CHWSQXEVSA-N 1 3 303.410 0.818 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418717785 271250099 /nfs/dbraw/zinc/25/00/99/271250099.db2.gz ZWSWPSPFZJDFHK-KBPBESRZSA-N 1 3 300.447 0.650 20 0 DCADHO C[C@H](CCC[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418713303 271250257 /nfs/dbraw/zinc/25/02/57/271250257.db2.gz WHQIFOCPNBYOCH-ZIAGYGMSSA-N 1 3 300.447 0.506 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000418990975 271263713 /nfs/dbraw/zinc/26/37/13/271263713.db2.gz WVLWTDQSWJVBHT-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000418990975 271263716 /nfs/dbraw/zinc/26/37/16/271263716.db2.gz WVLWTDQSWJVBHT-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419026832 271265317 /nfs/dbraw/zinc/26/53/17/271265317.db2.gz OABMAQXCWHPSCV-KGLIPLIRSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000419402627 271289123 /nfs/dbraw/zinc/28/91/23/271289123.db2.gz CNRJHGOWFFWOAE-ZDUSSCGKSA-N 1 3 312.458 0.278 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419430863 271290102 /nfs/dbraw/zinc/29/01/02/271290102.db2.gz WKMIMSCNKUFXCG-HZSPNIEDSA-N 1 3 310.442 0.363 20 0 DCADHO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCCNCC2)CC1 ZINC000419477756 271297053 /nfs/dbraw/zinc/29/70/53/271297053.db2.gz IRCSKPWQBWHXCV-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000419576261 271309812 /nfs/dbraw/zinc/30/98/12/271309812.db2.gz BQPRMUKGEQODSU-TZMCWYRMSA-N 1 3 312.458 0.417 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419576313 271310234 /nfs/dbraw/zinc/31/02/34/271310234.db2.gz CABZKVRVTYZGFZ-HNNXBMFYSA-N 1 3 322.453 0.403 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419584528 271311328 /nfs/dbraw/zinc/31/13/28/271311328.db2.gz KWWSALPADCZWDU-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCCNCC1)C(C)C ZINC000419664334 271318107 /nfs/dbraw/zinc/31/81/07/271318107.db2.gz LUOVXRZTWXXXRB-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419931670 271344135 /nfs/dbraw/zinc/34/41/35/271344135.db2.gz DBQLPALRMYMFKM-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCCNC2=O)CC[NH2+]CC1 ZINC000422835063 271388836 /nfs/dbraw/zinc/38/88/36/271388836.db2.gz YBBIDJBSNBYLND-OLZOCXBDSA-N 1 3 311.426 0.566 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)CC1 ZINC000424065351 271396585 /nfs/dbraw/zinc/39/65/85/271396585.db2.gz FBFIRQUFIWATHR-PMPSAXMXSA-N 1 3 310.486 0.846 20 0 DCADHO CN(C)[C@@]1(CNC(=O)C[C@@H]2CSCC[NH2+]2)CCSC1 ZINC000434870723 271548357 /nfs/dbraw/zinc/54/83/57/271548357.db2.gz TVYPRIKZLDDDOO-DGCLKSJQSA-N 1 3 303.497 0.635 20 0 DCADHO CC(=O)N[C@H]1CCCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)C1 ZINC000443062651 271696845 /nfs/dbraw/zinc/69/68/45/271696845.db2.gz UPUNZKGDEGBHLS-GJZGRUSLSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)C[C@H](NC(=O)/C=C/C[NH+](C)C)C(=O)NCCN(C)C ZINC000492286114 272120751 /nfs/dbraw/zinc/12/07/51/272120751.db2.gz DZECPPZYYUCAKE-NPQIQWPPSA-N 1 3 312.458 0.313 20 0 DCADHO C[C@H]1CCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496811781 272346129 /nfs/dbraw/zinc/34/61/29/272346129.db2.gz BZEUSEADWFGWAE-LBPRGKRZSA-N 1 3 313.446 0.967 20 0 DCADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCN1 ZINC000333386584 276122716 /nfs/dbraw/zinc/12/27/16/276122716.db2.gz OFCZQKOUFLWOPF-GJZGRUSLSA-N 1 3 324.469 0.758 20 0 DCADHO CCOCC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373072995 276328471 /nfs/dbraw/zinc/32/84/71/276328471.db2.gz ABHOJNKJKWUIPL-ULQDDVLXSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419973882 277437415 /nfs/dbraw/zinc/43/74/15/277437415.db2.gz HKQLJQVRIRMEKM-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000339575693 279105087 /nfs/dbraw/zinc/10/50/87/279105087.db2.gz ISSGTNIGDKRUQU-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494674807 279357849 /nfs/dbraw/zinc/35/78/49/279357849.db2.gz RCGOYKIRWWUWGH-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333628076 288151282 /nfs/dbraw/zinc/15/12/82/288151282.db2.gz GECMSJGRQNHFEW-LZWOXQAQSA-N 1 3 324.469 0.879 20 0 DCADHO CC[C@]1(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000368366826 281303376 /nfs/dbraw/zinc/30/33/76/281303376.db2.gz IOPJHZWXJVFKIQ-RHSMWYFYSA-N 1 3 308.470 0.803 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339484892 289126859 /nfs/dbraw/zinc/12/68/59/289126859.db2.gz QXLNZBFEWOGSPS-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1=O ZINC000365311902 289158299 /nfs/dbraw/zinc/15/82/99/289158299.db2.gz YHDQAFUHJRPYCU-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000351767162 289297560 /nfs/dbraw/zinc/29/75/60/289297560.db2.gz FIYUZKWLMNKAJR-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO O=C([C@H]1CNCc2ccccc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000582060822 333194308 /nfs/dbraw/zinc/19/43/08/333194308.db2.gz HGPGBQJMPIYJSJ-WBVHZDCISA-N 1 3 314.433 0.380 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000580332754 333329538 /nfs/dbraw/zinc/32/95/38/333329538.db2.gz CARFKPNWQZRQNN-BBWFWOEESA-N 1 3 310.486 0.465 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NCC[C@H]2CC[NH2+]C2)CCSC1 ZINC000571184337 333678759 /nfs/dbraw/zinc/67/87/59/333678759.db2.gz QEQLBJVISCMFHF-TZMCWYRMSA-N 1 3 300.472 0.723 20 0 DCADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000583080982 337237012 /nfs/dbraw/zinc/23/70/12/337237012.db2.gz AHLAHMHRWKJMNQ-VBQJREDUSA-N 1 3 324.469 0.611 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@@H](C)NC)[C@H]1CC12CC[NH2+]CC2 ZINC000583822262 337336655 /nfs/dbraw/zinc/33/66/55/337336655.db2.gz GVWWMPGHVMECMC-KGLIPLIRSA-N 1 3 319.453 0.982 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(=O)[nH]c1 ZINC000583848361 337341719 /nfs/dbraw/zinc/34/17/19/337341719.db2.gz AFEFIOLGILBRRZ-UHFFFAOYSA-N 1 3 308.426 0.672 20 0 DCADHO CCN(CCNCC(=O)NC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001568751573 1160760265 /nfs/dbraw/zinc/76/02/65/1160760265.db2.gz PQBXUUKDPLZJGI-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CN(C)CC[NH+]1CCC(CNC(=O)c2cnccc2N)CC1 ZINC000188122858 521757883 /nfs/dbraw/zinc/75/78/83/521757883.db2.gz VCSJBZXGOVJHSY-UHFFFAOYSA-N 1 3 305.426 0.667 20 0 DCADHO C[NH+](C)CCN1CCC(CNC(=O)c2cnccc2N)CC1 ZINC000188122858 521757893 /nfs/dbraw/zinc/75/78/93/521757893.db2.gz VCSJBZXGOVJHSY-UHFFFAOYSA-N 1 3 305.426 0.667 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188742129 521803986 /nfs/dbraw/zinc/80/39/86/521803986.db2.gz UTMUOYUNFOLWSX-UONOGXRCSA-N 1 3 309.385 0.943 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000128316424 521923458 /nfs/dbraw/zinc/92/34/58/521923458.db2.gz DMOPBJMJEJTBAS-CQSZACIVSA-N 1 3 318.421 0.755 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000128316424 521923465 /nfs/dbraw/zinc/92/34/65/521923465.db2.gz DMOPBJMJEJTBAS-CQSZACIVSA-N 1 3 318.421 0.755 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000364154375 522037755 /nfs/dbraw/zinc/03/77/55/522037755.db2.gz FLJHZSKCFDXFFY-QLFBSQMISA-N 1 3 310.442 0.585 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000237215400 523911603 /nfs/dbraw/zinc/91/16/03/523911603.db2.gz ZRYIQCCVHPNBBI-KRWDZBQOSA-N 1 3 316.449 0.660 20 0 DCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)CN)cc1 ZINC000415591349 528191595 /nfs/dbraw/zinc/19/15/95/528191595.db2.gz AMUYOCQFJNNINV-GFCCVEGCSA-N 1 3 306.410 0.930 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422458994 535555259 /nfs/dbraw/zinc/55/52/59/535555259.db2.gz XESRSPCQFMBFBM-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422458994 535555263 /nfs/dbraw/zinc/55/52/63/535555263.db2.gz XESRSPCQFMBFBM-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494674806 535712201 /nfs/dbraw/zinc/71/22/01/535712201.db2.gz RCGOYKIRWWUWGH-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@@H]([NH2+]CCCO)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001664457869 1174434506 /nfs/dbraw/zinc/43/45/06/1174434506.db2.gz VMXCEBYTUZFELV-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000333395349 546080157 /nfs/dbraw/zinc/08/01/57/546080157.db2.gz DFKYNCWAIJFLAK-UONOGXRCSA-N 1 3 320.441 1.193 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000333395349 546080162 /nfs/dbraw/zinc/08/01/62/546080162.db2.gz DFKYNCWAIJFLAK-UONOGXRCSA-N 1 3 320.441 1.193 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000333633117 546086773 /nfs/dbraw/zinc/08/67/73/546086773.db2.gz WASWHSUXOHTPHR-XDQVBPFNSA-N 1 3 306.414 0.126 20 0 DCADHO CC(C)OCCOC[C@@H](O)CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253800 546372088 /nfs/dbraw/zinc/37/20/88/546372088.db2.gz LBNABXDQZGEDOO-LSDHHAIUSA-N 1 3 316.442 0.242 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000665761051 546395349 /nfs/dbraw/zinc/39/53/49/546395349.db2.gz VUPBZEVFNNOXNT-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000665761051 546395354 /nfs/dbraw/zinc/39/53/54/546395354.db2.gz VUPBZEVFNNOXNT-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](O)CC1 ZINC000665763654 546396498 /nfs/dbraw/zinc/39/64/98/546396498.db2.gz HZMXMVIBMBZDFE-LSDHHAIUSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](O)CC1 ZINC000665763654 546396500 /nfs/dbraw/zinc/39/65/00/546396500.db2.gz HZMXMVIBMBZDFE-LSDHHAIUSA-N 1 3 314.474 0.815 20 0 DCADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(=O)NC ZINC000665763737 546398060 /nfs/dbraw/zinc/39/80/60/546398060.db2.gz KNNSOXKALICNLQ-STQMWFEESA-N 1 3 315.462 0.082 20 0 DCADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(=O)NC ZINC000665763737 546398063 /nfs/dbraw/zinc/39/80/63/546398063.db2.gz KNNSOXKALICNLQ-STQMWFEESA-N 1 3 315.462 0.082 20 0 DCADHO CCCN1CC[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000666920557 546527055 /nfs/dbraw/zinc/52/70/55/546527055.db2.gz XXRIXGQAZAYSSR-HNNXBMFYSA-N 1 3 313.490 0.653 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666976780 546538736 /nfs/dbraw/zinc/53/87/36/546538736.db2.gz PDPCLGPNMACWOK-GDBMZVCRSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c(Cl)cnn1C ZINC000668302966 546724320 /nfs/dbraw/zinc/72/43/20/546724320.db2.gz VPZNOUPCRDRPMH-UHFFFAOYSA-N 1 3 301.822 0.639 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC[N@@H+]1C ZINC000668894121 546873525 /nfs/dbraw/zinc/87/35/25/546873525.db2.gz VQRJCMRHNLWAMQ-HZSPNIEDSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC[N@H+]1C ZINC000668894121 546873528 /nfs/dbraw/zinc/87/35/28/546873528.db2.gz VQRJCMRHNLWAMQ-HZSPNIEDSA-N 1 3 324.469 0.574 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669473216 546974630 /nfs/dbraw/zinc/97/46/30/546974630.db2.gz PVYGLOQVYWSFMK-RRFJBIMHSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1 ZINC000669484181 546976702 /nfs/dbraw/zinc/97/67/02/546976702.db2.gz GYSMDXHVOLZQNL-ZIAGYGMSSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1 ZINC000669484181 546976706 /nfs/dbraw/zinc/97/67/06/546976706.db2.gz GYSMDXHVOLZQNL-ZIAGYGMSSA-N 1 3 309.458 0.158 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCSC1 ZINC000669514780 546982127 /nfs/dbraw/zinc/98/21/27/546982127.db2.gz HTOWCPPGKMWALQ-IPYPFGDCSA-N 1 3 312.483 0.817 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CC[C@](C)(C[NH3+])C2)CCSC1 ZINC000669514808 546982192 /nfs/dbraw/zinc/98/21/92/546982192.db2.gz KWWYUNJUUAHPNJ-ZIAGYGMSSA-N 1 3 300.472 0.804 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CCSC1 ZINC000669514907 546984091 /nfs/dbraw/zinc/98/40/91/546984091.db2.gz REWBVADWCLRLCB-OCCSQVGLSA-N 1 3 300.472 0.865 20 0 DCADHO COCC1(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000669529401 546985618 /nfs/dbraw/zinc/98/56/18/546985618.db2.gz OYHUJZRAGKPCFL-ZFWWWQNUSA-N 1 3 324.469 0.785 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCCO1 ZINC000669570937 546993024 /nfs/dbraw/zinc/99/30/24/546993024.db2.gz UNFKYPHERNVPGA-UGUYLWEFSA-N 1 3 324.469 0.866 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670471613 547101682 /nfs/dbraw/zinc/10/16/82/547101682.db2.gz WQYBSGQMGVDNOT-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671820035 547297932 /nfs/dbraw/zinc/29/79/32/547297932.db2.gz HTGVATPVYPZVMM-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000671820625 547298705 /nfs/dbraw/zinc/29/87/05/547298705.db2.gz SISWVPHQXQFMMV-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000672207899 547330077 /nfs/dbraw/zinc/33/00/77/547330077.db2.gz XJGYAPIWJOGJNF-UONOGXRCSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CCCN(C)CC[NH+](C)C)CC[C@H]1CCS(=O)(=O)C1 ZINC000677221243 547855792 /nfs/dbraw/zinc/85/57/92/547855792.db2.gz UITCYLLSNMEAOR-HNNXBMFYSA-N 1 3 319.515 0.627 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C1 ZINC000683851709 548524582 /nfs/dbraw/zinc/52/45/82/548524582.db2.gz SCGHUKKAXHNGKG-IRXDYDNUSA-N 1 3 320.481 0.852 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C1 ZINC000683851709 548524586 /nfs/dbraw/zinc/52/45/86/548524586.db2.gz SCGHUKKAXHNGKG-IRXDYDNUSA-N 1 3 320.481 0.852 20 0 DCADHO C[N@H+](C[C@H](O)CN1CCCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000685561346 548723497 /nfs/dbraw/zinc/72/34/97/548723497.db2.gz WZJLLAHVJABXAN-IRXDYDNUSA-N 1 3 311.470 0.628 20 0 DCADHO C[N@@H+](C[C@H](O)CN1CCCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000685561346 548723501 /nfs/dbraw/zinc/72/35/01/548723501.db2.gz WZJLLAHVJABXAN-IRXDYDNUSA-N 1 3 311.470 0.628 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000977768802 660430904 /nfs/dbraw/zinc/43/09/04/660430904.db2.gz GRZPCQNNEPGEDW-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977768802 660430905 /nfs/dbraw/zinc/43/09/05/660430905.db2.gz GRZPCQNNEPGEDW-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](N(C)CCF)C1 ZINC000980413792 660936153 /nfs/dbraw/zinc/93/61/53/660936153.db2.gz YCIBXBQFRJHACM-UONOGXRCSA-N 1 3 301.406 0.457 20 0 DCADHO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](N(C)CCF)C1 ZINC000980413791 660936401 /nfs/dbraw/zinc/93/64/01/660936401.db2.gz YCIBXBQFRJHACM-KGLIPLIRSA-N 1 3 301.406 0.457 20 0 DCADHO C[C@@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000980799879 661015377 /nfs/dbraw/zinc/01/53/77/661015377.db2.gz NCUANQLTPGFQHF-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CC1(C)C[C@@H](NCC[C@@H]2CNCCS2(=O)=O)C[C@@H]([NH3+])C1 ZINC000925789653 661070319 /nfs/dbraw/zinc/07/03/19/661070319.db2.gz WJONSWRTQTUTJD-FRRDWIJNSA-N 1 3 303.472 0.259 20 0 DCADHO CC1(C)C[C@@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)C[C@@H](N)C1 ZINC000925789653 661070320 /nfs/dbraw/zinc/07/03/20/661070320.db2.gz WJONSWRTQTUTJD-FRRDWIJNSA-N 1 3 303.472 0.259 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2CCn2cccn2)CC1 ZINC001028114597 661197103 /nfs/dbraw/zinc/19/71/03/661197103.db2.gz JPERQOUOOATJEZ-MRXNPFEDSA-N 1 3 319.453 0.806 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CCCN(CCO)C2 ZINC000981772403 661213970 /nfs/dbraw/zinc/21/39/70/661213970.db2.gz SKAUTSOZQPPGGH-HNNXBMFYSA-N 1 3 307.438 0.245 20 0 DCADHO COCC[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982012143 661272055 /nfs/dbraw/zinc/27/20/55/661272055.db2.gz QIVSVYWTKMZRPR-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO COCC[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982012143 661272056 /nfs/dbraw/zinc/27/20/56/661272056.db2.gz QIVSVYWTKMZRPR-OAHLLOKOSA-N 1 3 309.454 0.899 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891537629 657464623 /nfs/dbraw/zinc/46/46/23/657464623.db2.gz MBQOJLZBJPWPRP-NPCAHTBFSA-N 1 3 310.442 0.763 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926199126 657509003 /nfs/dbraw/zinc/50/90/03/657509003.db2.gz YKWFLCDCSDQCPH-YCCFLXJFSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926199126 657509010 /nfs/dbraw/zinc/50/90/10/657509010.db2.gz YKWFLCDCSDQCPH-YCCFLXJFSA-N 1 3 311.470 0.923 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)C(N)=O ZINC000969152300 657509559 /nfs/dbraw/zinc/50/95/59/657509559.db2.gz LLUQHZVMAZISJS-CHWSQXEVSA-N 1 3 324.469 0.704 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)C(N)=O ZINC000969152300 657509565 /nfs/dbraw/zinc/50/95/65/657509565.db2.gz LLUQHZVMAZISJS-CHWSQXEVSA-N 1 3 324.469 0.704 20 0 DCADHO C[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)CN1CCN(C)CC1 ZINC000891604476 657515713 /nfs/dbraw/zinc/51/57/13/657515713.db2.gz YVFNHKTWLODJET-BZUAXINKSA-N 1 3 323.485 0.406 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406455 657528250 /nfs/dbraw/zinc/52/82/50/657528250.db2.gz VOZFMAYILDZAIA-VXSWHIBVSA-N 1 3 305.422 0.496 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1)N(C)C ZINC000971777985 657665916 /nfs/dbraw/zinc/66/59/16/657665916.db2.gz JNEKSLJJSOADTB-HUUCEWRRSA-N 1 3 307.442 0.756 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1)N(C)C ZINC000971777985 657665927 /nfs/dbraw/zinc/66/59/27/657665927.db2.gz JNEKSLJJSOADTB-HUUCEWRRSA-N 1 3 307.442 0.756 20 0 DCADHO Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000998733293 665514889 /nfs/dbraw/zinc/51/48/89/665514889.db2.gz TYMUOLTYMZGSAW-HZPDHXFCSA-N 1 3 317.437 0.960 20 0 DCADHO Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC000970719559 657827975 /nfs/dbraw/zinc/82/79/75/657827975.db2.gz GCMIJYGHMQVESM-OAHLLOKOSA-N 1 3 318.421 0.172 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586095 658155817 /nfs/dbraw/zinc/15/58/17/658155817.db2.gz FFYGGSIPZIZAQC-DAXOMENPSA-N 1 3 319.453 0.950 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC000969844020 658200409 /nfs/dbraw/zinc/20/04/09/658200409.db2.gz BHJBQRYEKIGUQQ-GDBMZVCRSA-N 1 3 321.469 0.739 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926360837 658223715 /nfs/dbraw/zinc/22/37/15/658223715.db2.gz NGYFJFJZKFVXCG-ZNMIVQPWSA-N 1 3 322.453 0.269 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC000969969230 658303931 /nfs/dbraw/zinc/30/39/31/658303931.db2.gz ZQWYMZBGRBCCEZ-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000892237572 658346177 /nfs/dbraw/zinc/34/61/77/658346177.db2.gz LGVFGYWJJXNIQB-ZNMIVQPWSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000892237572 658346184 /nfs/dbraw/zinc/34/61/84/658346184.db2.gz LGVFGYWJJXNIQB-ZNMIVQPWSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001022710976 658348728 /nfs/dbraw/zinc/34/87/28/658348728.db2.gz QEUDQCQVJXFCSX-AEGPPILISA-N 1 3 305.426 0.641 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972732659 658358438 /nfs/dbraw/zinc/35/84/38/658358438.db2.gz LMWKEUAOCRNTQQ-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972732659 658358451 /nfs/dbraw/zinc/35/84/51/658358451.db2.gz LMWKEUAOCRNTQQ-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC001022714038 658362697 /nfs/dbraw/zinc/36/26/97/658362697.db2.gz PMBORJGIJQDPIL-KFWWJZLASA-N 1 3 305.426 0.462 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020679413 658371537 /nfs/dbraw/zinc/37/15/37/658371537.db2.gz PIQHANDLWPBEID-HDJSIYSDSA-N 1 3 320.441 0.284 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(CCCO)C1 ZINC000970026829 658376565 /nfs/dbraw/zinc/37/65/65/658376565.db2.gz JDGFCZMXEWCCPL-GDBMZVCRSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(CCCO)C1 ZINC000970026829 658376571 /nfs/dbraw/zinc/37/65/71/658376571.db2.gz JDGFCZMXEWCCPL-GDBMZVCRSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC001022718211 658379266 /nfs/dbraw/zinc/37/92/66/658379266.db2.gz AIXXZYZNSHQHCL-FWYOQMDTSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001022718211 658379278 /nfs/dbraw/zinc/37/92/78/658379278.db2.gz AIXXZYZNSHQHCL-FWYOQMDTSA-N 1 3 317.437 0.720 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC000971200545 658400338 /nfs/dbraw/zinc/40/03/38/658400338.db2.gz HQCIXLQSHKECNM-CABCVRRESA-N 1 3 305.426 0.510 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC000971200545 658400345 /nfs/dbraw/zinc/40/03/45/658400345.db2.gz HQCIXLQSHKECNM-CABCVRRESA-N 1 3 305.426 0.510 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001024039264 658409023 /nfs/dbraw/zinc/40/90/23/658409023.db2.gz SJSWLEBCSFJOTJ-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCC1(C)C ZINC000926391633 658411989 /nfs/dbraw/zinc/41/19/89/658411989.db2.gz SLDPLVZEIGUAMH-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000972333161 658578754 /nfs/dbraw/zinc/57/87/54/658578754.db2.gz UFDUUVNFMLIBDU-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC000972333161 658578761 /nfs/dbraw/zinc/57/87/61/658578761.db2.gz UFDUUVNFMLIBDU-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCN3C)C2)sn1 ZINC001021895801 658627126 /nfs/dbraw/zinc/62/71/26/658627126.db2.gz RNZVPCPUWAALRR-NTZNESFSSA-N 1 3 324.450 0.983 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001039136398 658663685 /nfs/dbraw/zinc/66/36/85/658663685.db2.gz LLJRMFVPQSFZPF-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001039136398 658663689 /nfs/dbraw/zinc/66/36/89/658663689.db2.gz LLJRMFVPQSFZPF-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047559 658725040 /nfs/dbraw/zinc/72/50/40/658725040.db2.gz HTQHICCQZRERGN-KKUMJFAQSA-N 1 3 318.421 0.779 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047559 658725045 /nfs/dbraw/zinc/72/50/45/658725045.db2.gz HTQHICCQZRERGN-KKUMJFAQSA-N 1 3 318.421 0.779 20 0 DCADHO COc1cccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001021047833 658726424 /nfs/dbraw/zinc/72/64/24/658726424.db2.gz PHDBPJMSXFGEQI-QEJZJMRPSA-N 1 3 318.421 0.779 20 0 DCADHO COc1cccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001021047833 658726431 /nfs/dbraw/zinc/72/64/31/658726431.db2.gz PHDBPJMSXFGEQI-QEJZJMRPSA-N 1 3 318.421 0.779 20 0 DCADHO CN(C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000924442164 658812816 /nfs/dbraw/zinc/81/28/16/658812816.db2.gz WNCCCQORINFVGZ-HUUCEWRRSA-N 1 3 316.405 0.743 20 0 DCADHO CN(C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000924442164 658812830 /nfs/dbraw/zinc/81/28/30/658812830.db2.gz WNCCCQORINFVGZ-HUUCEWRRSA-N 1 3 316.405 0.743 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000891513931 658898220 /nfs/dbraw/zinc/89/82/20/658898220.db2.gz KCAIZLXLWSZEBM-JKJDWNRSSA-N 1 3 322.453 0.679 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@]23CCOC3)C1 ZINC001023024948 658920268 /nfs/dbraw/zinc/92/02/68/658920268.db2.gz NQZUCXXUDWSHDD-VWPFQQQWSA-N 1 3 318.421 0.924 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999351113 665633927 /nfs/dbraw/zinc/63/39/27/665633927.db2.gz CQRRJTKDAMDNQZ-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999351113 665633929 /nfs/dbraw/zinc/63/39/29/665633929.db2.gz CQRRJTKDAMDNQZ-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000893223847 659113307 /nfs/dbraw/zinc/11/33/07/659113307.db2.gz NWSHFPYPBNBNLH-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000893223847 659113309 /nfs/dbraw/zinc/11/33/09/659113309.db2.gz NWSHFPYPBNBNLH-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@@H]3C2)C1 ZINC001026361174 659240325 /nfs/dbraw/zinc/24/03/25/659240325.db2.gz PCYJOYOCDJZKBI-RRFJBIMHSA-N 1 3 309.454 0.537 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001027333871 659270828 /nfs/dbraw/zinc/27/08/28/659270828.db2.gz FBPPPLJLADMQQM-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001027333871 659270836 /nfs/dbraw/zinc/27/08/36/659270836.db2.gz FBPPPLJLADMQQM-GJZGRUSLSA-N 1 3 320.441 0.295 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(CCN3CCOCC3)CC2)CC1 ZINC000930751004 659289739 /nfs/dbraw/zinc/28/97/39/659289739.db2.gz JTMNBQVTLHIVBB-UHFFFAOYSA-N 1 3 324.513 0.811 20 0 DCADHO CCN1CCC([N@H+]2CCCN(CCN3CCOCC3)CC2)CC1 ZINC000930751004 659289743 /nfs/dbraw/zinc/28/97/43/659289743.db2.gz JTMNBQVTLHIVBB-UHFFFAOYSA-N 1 3 324.513 0.811 20 0 DCADHO Cn1ccc(CNC2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001026605399 659410928 /nfs/dbraw/zinc/41/09/28/659410928.db2.gz OFIHIEUOSKUJDE-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CNC2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001026605399 659410929 /nfs/dbraw/zinc/41/09/29/659410929.db2.gz OFIHIEUOSKUJDE-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892803922 659461943 /nfs/dbraw/zinc/46/19/43/659461943.db2.gz PAHPGEKQSCTYGG-DOTOQJQBSA-N 1 3 320.437 0.313 20 0 DCADHO C[NH+]1CCC2(CCN2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000892817126 659468899 /nfs/dbraw/zinc/46/88/99/659468899.db2.gz ADBOWRMMKFKOIE-LSDHHAIUSA-N 1 3 322.453 0.729 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)[N@H+](C)C1CC1 ZINC000892822105 659472136 /nfs/dbraw/zinc/47/21/36/659472136.db2.gz WDDAWVPQVMMOMT-FVQBIDKESA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)[N@@H+](C)C1CC1 ZINC000892822105 659472139 /nfs/dbraw/zinc/47/21/39/659472139.db2.gz WDDAWVPQVMMOMT-FVQBIDKESA-N 1 3 324.469 0.710 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026727330 659482005 /nfs/dbraw/zinc/48/20/05/659482005.db2.gz NBUPHIAIKLIOMC-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO CCn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001026734972 659487573 /nfs/dbraw/zinc/48/75/73/659487573.db2.gz XDFOHXGHJAFVCZ-GOEBONIOSA-N 1 3 319.453 0.935 20 0 DCADHO Cc1nnsc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026732832 659489503 /nfs/dbraw/zinc/48/95/03/659489503.db2.gz FZHIHBQKUOUYAS-OLZOCXBDSA-N 1 3 323.466 0.879 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026733962 659490812 /nfs/dbraw/zinc/49/08/12/659490812.db2.gz KJMJVYUTPIFRLC-HOCLYGCPSA-N 1 3 317.437 0.817 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999766256 665681422 /nfs/dbraw/zinc/68/14/22/665681422.db2.gz RYZKMGJBOKSBOM-IQXANGCESA-N 1 3 311.401 0.400 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3nccn3C)C2)CC[N@@H+]1C ZINC001026851855 659607592 /nfs/dbraw/zinc/60/75/92/659607592.db2.gz HVMPGSBUZLTQNH-QLFBSQMISA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3nccn3C)C2)CC[N@H+]1C ZINC001026851855 659607597 /nfs/dbraw/zinc/60/75/97/659607597.db2.gz HVMPGSBUZLTQNH-QLFBSQMISA-N 1 3 319.453 0.698 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001026884665 659623730 /nfs/dbraw/zinc/62/37/30/659623730.db2.gz BBABQMWERYROKF-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1cnnc1CNC[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001026887161 659627582 /nfs/dbraw/zinc/62/75/82/659627582.db2.gz LXWZVXZAFLABLQ-SWLSCSKDSA-N 1 3 320.441 0.093 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CN2CCC[C@@H]2C)C1)[NH+](C)C ZINC000999846405 665691099 /nfs/dbraw/zinc/69/10/99/665691099.db2.gz DDETUIRCUIHRBH-XJKSGUPXSA-N 1 3 324.469 0.384 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001026921523 659640697 /nfs/dbraw/zinc/64/06/97/659640697.db2.gz SVXAZFPKVZBJHF-OCCSQVGLSA-N 1 3 323.466 0.961 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1)[NH+](C)C ZINC001027042431 659729224 /nfs/dbraw/zinc/72/92/24/659729224.db2.gz FHQQHGVQJRCODQ-GOEBONIOSA-N 1 3 321.469 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC001027064672 659762520 /nfs/dbraw/zinc/76/25/20/659762520.db2.gz IVKRPLNNKHZXIY-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1)N(C)C ZINC001027070139 659783333 /nfs/dbraw/zinc/78/33/33/659783333.db2.gz KEXIFSIWBADCST-AAEUAGOBSA-N 1 3 311.455 0.816 20 0 DCADHO CN(CCCN(C)Cc1[nH]nc2c1COCC2)CC[NH+](C)C ZINC000930500202 659786822 /nfs/dbraw/zinc/78/68/22/659786822.db2.gz RBLWEQNZGPIHAW-UHFFFAOYSA-N 1 3 309.458 0.798 20 0 DCADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028314587 661454361 /nfs/dbraw/zinc/45/43/61/661454361.db2.gz WGEJGWOAKQGIAP-HOCLYGCPSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028314587 661454362 /nfs/dbraw/zinc/45/43/62/661454362.db2.gz WGEJGWOAKQGIAP-HOCLYGCPSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001000204031 665778471 /nfs/dbraw/zinc/77/84/71/665778471.db2.gz YMFWJVAZYSCSEC-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000940526583 665785221 /nfs/dbraw/zinc/78/52/21/665785221.db2.gz WSOYJWJQWVAOKC-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000940526583 665785222 /nfs/dbraw/zinc/78/52/22/665785222.db2.gz WSOYJWJQWVAOKC-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]([NH3+])CC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000261875373 661772691 /nfs/dbraw/zinc/77/26/91/661772691.db2.gz RDPGAZVUMYSWQO-MRXNPFEDSA-N 1 3 318.465 1.000 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779078 661821539 /nfs/dbraw/zinc/82/15/39/661821539.db2.gz UHTZLLBNGQBDNI-JSGCOSHPSA-N 1 3 310.442 0.030 20 0 DCADHO COC(=O)[C@H]1[C@@H](C[NH2+]CCN2CCN(C)C(C)(C)C2)C1(F)F ZINC000894659999 661992154 /nfs/dbraw/zinc/99/21/54/661992154.db2.gz GTRODDMFDJDKEG-VXGBXAGGSA-N 1 3 319.396 0.656 20 0 DCADHO C[N@@H+]1C[C@@H]2CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000895850776 662222421 /nfs/dbraw/zinc/22/24/21/662222421.db2.gz KUVLCBJFYIQYJB-CWRNSKLLSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1C[C@@H]2CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000895850776 662222423 /nfs/dbraw/zinc/22/24/23/662222423.db2.gz KUVLCBJFYIQYJB-CWRNSKLLSA-N 1 3 322.453 0.585 20 0 DCADHO CN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCN(C)C1 ZINC000895849925 662222430 /nfs/dbraw/zinc/22/24/30/662222430.db2.gz BQPBBJJYLFBMGD-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000895849925 662222431 /nfs/dbraw/zinc/22/24/31/662222431.db2.gz BQPBBJJYLFBMGD-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000895849925 662222433 /nfs/dbraw/zinc/22/24/33/662222433.db2.gz BQPBBJJYLFBMGD-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC000896619067 662300295 /nfs/dbraw/zinc/30/02/95/662300295.db2.gz SQKZVHKNPUGZLZ-KBUPBQIOSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC000896619067 662300296 /nfs/dbraw/zinc/30/02/96/662300296.db2.gz SQKZVHKNPUGZLZ-KBUPBQIOSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985431941 662443681 /nfs/dbraw/zinc/44/36/81/662443681.db2.gz AXGOASXJOQNZNL-SWLSCSKDSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000985500155 662469059 /nfs/dbraw/zinc/46/90/59/662469059.db2.gz AMUWPYNPXHSDJZ-HUUCEWRRSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000985500155 662469060 /nfs/dbraw/zinc/46/90/60/662469060.db2.gz AMUWPYNPXHSDJZ-HUUCEWRRSA-N 1 3 324.469 0.657 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985500112 662469210 /nfs/dbraw/zinc/46/92/10/662469210.db2.gz ZUSLBYDOGBWPIE-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985500112 662469212 /nfs/dbraw/zinc/46/92/12/662469212.db2.gz ZUSLBYDOGBWPIE-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518298 662472387 /nfs/dbraw/zinc/47/23/87/662472387.db2.gz MGIWXFJCZQZCOQ-CYBMUJFWSA-N 1 3 322.453 0.411 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN(C)C1CCC1 ZINC000986355271 662583427 /nfs/dbraw/zinc/58/34/27/662583427.db2.gz MMCRQXDUZXGSSN-CJNGLKHVSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1[C@H](NCc2cncn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360457 662672261 /nfs/dbraw/zinc/67/22/61/662672261.db2.gz VCEXWAHNHWZLTL-UKRRQHHQSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)CN1C(=O)CN(C)C1CCC1 ZINC000988957327 662873537 /nfs/dbraw/zinc/87/35/37/662873537.db2.gz FLUPPDIVVGNGJK-ZIAGYGMSSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1C[C@@H](NCc2cncn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682721 662971540 /nfs/dbraw/zinc/97/15/40/662971540.db2.gz JOZXFIFJKVFOKE-UONOGXRCSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCn2cccn2)CN1C(=O)CN1CCCC1 ZINC000989796162 662979988 /nfs/dbraw/zinc/97/99/88/662979988.db2.gz ICQXHYYGMNZUKO-CABCVRRESA-N 1 3 305.426 0.558 20 0 DCADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000990276455 663028028 /nfs/dbraw/zinc/02/80/28/663028028.db2.gz JHTFBLGSSBQNPK-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001030020897 663086880 /nfs/dbraw/zinc/08/68/80/663086880.db2.gz KHKFPIKYNKJFRU-BFHYXJOUSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](NC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000899265003 663133894 /nfs/dbraw/zinc/13/38/94/663133894.db2.gz PWHBUWWNQRXBIT-TZMCWYRMSA-N 1 3 309.458 0.842 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000899558717 663153535 /nfs/dbraw/zinc/15/35/35/663153535.db2.gz WHEVRZGOYFXMDN-INIZCTEOSA-N 1 3 320.481 0.853 20 0 DCADHO CN(CCO)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000899731944 663180895 /nfs/dbraw/zinc/18/08/95/663180895.db2.gz RBPWCWNRVUJFKU-UHFFFAOYSA-N 1 3 319.449 0.939 20 0 DCADHO C[C@H](CNC(=O)c1ccnn1CCN(C)C)C[NH+]1CCCC1 ZINC000900273304 663232553 /nfs/dbraw/zinc/23/25/53/663232553.db2.gz XATFKSITNAZIOP-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccnn2CCN(C)C)CC[N@@H+]1C ZINC000900823138 663285201 /nfs/dbraw/zinc/28/52/01/663285201.db2.gz HJKFWWQCSUUFGQ-KGLIPLIRSA-N 1 3 307.442 0.999 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccnn2CCN(C)C)CC[N@H+]1C ZINC000900823138 663285202 /nfs/dbraw/zinc/28/52/02/663285202.db2.gz HJKFWWQCSUUFGQ-KGLIPLIRSA-N 1 3 307.442 0.999 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000900889840 663290818 /nfs/dbraw/zinc/29/08/18/663290818.db2.gz KLEIFRIJJYSNOE-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000900889840 663290819 /nfs/dbraw/zinc/29/08/19/663290819.db2.gz KLEIFRIJJYSNOE-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000921130 665962380 /nfs/dbraw/zinc/96/23/80/665962380.db2.gz XBJVAZRHOHRECC-ZBFHGGJFSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000921130 665962381 /nfs/dbraw/zinc/96/23/81/665962381.db2.gz XBJVAZRHOHRECC-ZBFHGGJFSA-N 1 3 319.453 0.761 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCO[C@@]23CCOC3)C1 ZINC000903090987 663446857 /nfs/dbraw/zinc/44/68/57/663446857.db2.gz KQJBCEUEHXZTIC-IJEWVQPXSA-N 1 3 311.426 0.111 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCO[C@@]23CCOC3)C1 ZINC000903090987 663446858 /nfs/dbraw/zinc/44/68/58/663446858.db2.gz KQJBCEUEHXZTIC-IJEWVQPXSA-N 1 3 311.426 0.111 20 0 DCADHO CCN(C)C(=O)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507076 663460736 /nfs/dbraw/zinc/46/07/36/663460736.db2.gz MIXLKLCXLGKRTH-IYBDPMFKSA-N 1 3 308.470 0.755 20 0 DCADHO CCN(C)C(=O)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507076 663460737 /nfs/dbraw/zinc/46/07/37/663460737.db2.gz MIXLKLCXLGKRTH-IYBDPMFKSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000903533495 663463566 /nfs/dbraw/zinc/46/35/66/663463566.db2.gz DCQQKMQOUIKGSI-OCCSQVGLSA-N 1 3 311.451 0.882 20 0 DCADHO C[NH+](C)CCCS(=O)(=O)N1CCNCCC12CCOCC2 ZINC000903549469 663465276 /nfs/dbraw/zinc/46/52/76/663465276.db2.gz LDLNHSCYMVXFDW-UHFFFAOYSA-N 1 3 319.471 0.112 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903746889 663476817 /nfs/dbraw/zinc/47/68/17/663476817.db2.gz MYOBVWOAQDGXBX-QPSCCSFWSA-N 1 3 311.426 0.110 20 0 DCADHO O[C@@H]1CCC[C@@H]1N1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903738183 663478455 /nfs/dbraw/zinc/47/84/55/663478455.db2.gz YZFDWDAGEFDCJT-YYIAUSFCSA-N 1 3 309.454 0.286 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903759793 663479577 /nfs/dbraw/zinc/47/95/77/663479577.db2.gz QJNUGKBCIKZNOC-RDBSUJKOSA-N 1 3 322.453 0.267 20 0 DCADHO O=S1(=O)CCCN1CCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903767566 663481275 /nfs/dbraw/zinc/48/12/75/663481275.db2.gz HMPMLAXAJFJHOZ-OAHLLOKOSA-N 1 3 315.483 0.734 20 0 DCADHO CC(C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(=O)N1CCCC1 ZINC000903953500 663498282 /nfs/dbraw/zinc/49/82/82/663498282.db2.gz GUGFDFUZWJCTGO-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C(F)(F)F ZINC000904517886 663515743 /nfs/dbraw/zinc/51/57/43/663515743.db2.gz IAZBUOKCQHGMRD-MXWKQRLJSA-N 1 3 324.347 0.117 20 0 DCADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)C2(O)CCCC2)ccn1 ZINC000905191391 663537625 /nfs/dbraw/zinc/53/76/25/663537625.db2.gz OFPATWWTTLRCSB-OAHLLOKOSA-N 1 3 323.437 0.778 20 0 DCADHO O[C@H](C[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1)c1ccccc1 ZINC000905344465 663546887 /nfs/dbraw/zinc/54/68/87/663546887.db2.gz JCWREAKJXCRSBD-YESZJQIVSA-N 1 3 308.422 0.517 20 0 DCADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000906649121 663626861 /nfs/dbraw/zinc/62/68/61/663626861.db2.gz VSOCOLQCGMDXRR-AWEZNQCLSA-N 1 3 316.405 0.781 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000907719118 663714250 /nfs/dbraw/zinc/71/42/50/663714250.db2.gz TXNRSSNLOSRYDZ-IGQOVBAYSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)[NH+]1CCN(CCCC(=O)N2CCC3(CN(C)C3)C2)CC1 ZINC000907764506 663715979 /nfs/dbraw/zinc/71/59/79/663715979.db2.gz UVWUIMCTGFZMAA-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000908117265 663734480 /nfs/dbraw/zinc/73/44/80/663734480.db2.gz HBPRMIPVSLLXOK-CQSZACIVSA-N 1 3 323.441 0.021 20 0 DCADHO CN(CCC(=O)N[C@@H](CO)CN1CCCC1)c1cc[nH+]cc1 ZINC000908202199 663742926 /nfs/dbraw/zinc/74/29/26/663742926.db2.gz JCUYVIJNKXVLGE-CQSZACIVSA-N 1 3 306.410 0.481 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000910947079 663961515 /nfs/dbraw/zinc/96/15/15/663961515.db2.gz SFIPLVBDQZHHCQ-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911054891 663973119 /nfs/dbraw/zinc/97/31/19/663973119.db2.gz MOMCZFDKWWDTFU-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CCC(C)CC1 ZINC000911090683 663980346 /nfs/dbraw/zinc/98/03/46/663980346.db2.gz JHQANTCLOSBYDI-UONOGXRCSA-N 1 3 324.469 0.419 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911160896 663995334 /nfs/dbraw/zinc/99/53/34/663995334.db2.gz GGQBVVXWJSDNDL-HUUCEWRRSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C[C@H]1CC[NH3+] ZINC000911161791 663995663 /nfs/dbraw/zinc/99/56/63/663995663.db2.gz MNVPPCXZKCDGIQ-RRFJBIMHSA-N 1 3 324.469 0.278 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911206479 664005059 /nfs/dbraw/zinc/00/50/59/664005059.db2.gz GSMNCWKITRPILU-RDBSUJKOSA-N 1 3 310.442 0.221 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911257399 664016815 /nfs/dbraw/zinc/01/68/15/664016815.db2.gz HUFLLLIOZAPDDG-STQMWFEESA-N 1 3 324.469 0.419 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911257635 664016968 /nfs/dbraw/zinc/01/69/68/664016968.db2.gz JJBKLSUKGOBUCF-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000911532463 664070118 /nfs/dbraw/zinc/07/01/18/664070118.db2.gz LSLFUIRXUZVOOO-UONOGXRCSA-N 1 3 324.469 0.278 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC000911535066 664071122 /nfs/dbraw/zinc/07/11/22/664071122.db2.gz YRVUWWYBWYKVDP-QGZVFWFLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000911544142 664075436 /nfs/dbraw/zinc/07/54/36/664075436.db2.gz GIKXAUXEVOMVGA-ILXRZTDVSA-N 1 3 322.453 0.582 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000911544142 664075438 /nfs/dbraw/zinc/07/54/38/664075438.db2.gz GIKXAUXEVOMVGA-ILXRZTDVSA-N 1 3 322.453 0.582 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015323783 664767622 /nfs/dbraw/zinc/76/76/22/664767622.db2.gz KFDUGWOUGWHBEH-KRIMKBQASA-N 1 3 305.422 0.450 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015323783 664767623 /nfs/dbraw/zinc/76/76/23/664767623.db2.gz KFDUGWOUGWHBEH-KRIMKBQASA-N 1 3 305.422 0.450 20 0 DCADHO CCN1CCN([C@H](C)CNC(=S)NCC[NH+](C)C)CC1 ZINC000916002230 665055519 /nfs/dbraw/zinc/05/55/19/665055519.db2.gz CGGKKUQXOSBEMS-CYBMUJFWSA-N 1 3 301.504 0.038 20 0 DCADHO CN1C[C@]2(C)CN(S(=O)(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC000918370362 665166112 /nfs/dbraw/zinc/16/61/12/665166112.db2.gz XCTXAKPUFVYJKD-OKILXGFUSA-N 1 3 303.472 0.542 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040869026 665312167 /nfs/dbraw/zinc/31/21/67/665312167.db2.gz DOEDOTGJIQGKCC-ZDUSSCGKSA-N 1 3 306.410 0.648 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000938320007 665335374 /nfs/dbraw/zinc/33/53/74/665335374.db2.gz QKDHJFGBAMGTDO-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000938320007 665335378 /nfs/dbraw/zinc/33/53/78/665335378.db2.gz QKDHJFGBAMGTDO-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000997855074 665354598 /nfs/dbraw/zinc/35/45/98/665354598.db2.gz KCLFCSHFJSGQRY-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO O=C(NCC1CN(CCCO)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730583 665367725 /nfs/dbraw/zinc/36/77/25/665367725.db2.gz RMNTXSGYPPJPMV-MRXNPFEDSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(NCC1CN(CCCO)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730583 665367727 /nfs/dbraw/zinc/36/77/27/665367727.db2.gz RMNTXSGYPPJPMV-MRXNPFEDSA-N 1 3 309.454 0.824 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997926988 665373601 /nfs/dbraw/zinc/37/36/01/665373601.db2.gz CAHZZCHKRYFXMW-ISXOHVOVSA-N 1 3 307.438 0.698 20 0 DCADHO CC[C@H](C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665978 666041240 /nfs/dbraw/zinc/04/12/40/666041240.db2.gz LQVZPPHHFQMDES-JKSUJKDBSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@H](C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665978 666041242 /nfs/dbraw/zinc/04/12/42/666041242.db2.gz LQVZPPHHFQMDES-JKSUJKDBSA-N 1 3 322.497 0.813 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)NCC2CN(CCCO)C2)cc1 ZINC001031978672 666079800 /nfs/dbraw/zinc/07/98/00/666079800.db2.gz ISGVRESWZQEALM-UHFFFAOYSA-N 1 3 319.449 0.835 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002122525 666134760 /nfs/dbraw/zinc/13/47/60/666134760.db2.gz DDNFSCANNVQVJH-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002122525 666134763 /nfs/dbraw/zinc/13/47/63/666134763.db2.gz DDNFSCANNVQVJH-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001004149104 666460156 /nfs/dbraw/zinc/46/01/56/666460156.db2.gz FKSAMARJKWCXCS-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCN3CCCC3=O)CC2)C1 ZINC001004149104 666460158 /nfs/dbraw/zinc/46/01/58/666460158.db2.gz FKSAMARJKWCXCS-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996004420 666729908 /nfs/dbraw/zinc/72/99/08/666729908.db2.gz MZAVEBFVJDEURR-UONOGXRCSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996004420 666729910 /nfs/dbraw/zinc/72/99/10/666729910.db2.gz MZAVEBFVJDEURR-UONOGXRCSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC000996679124 666858935 /nfs/dbraw/zinc/85/89/35/666858935.db2.gz PYFKJWGRPOKKSS-UONOGXRCSA-N 1 3 310.442 0.171 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCN(C2CC2)C1 ZINC000734274026 666860713 /nfs/dbraw/zinc/86/07/13/666860713.db2.gz FURRYQZSGNZXTK-NWANDNLSSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H]1CCN(C2CC2)C1 ZINC000734274026 666860717 /nfs/dbraw/zinc/86/07/17/666860717.db2.gz FURRYQZSGNZXTK-NWANDNLSSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734274026 666860720 /nfs/dbraw/zinc/86/07/20/666860720.db2.gz FURRYQZSGNZXTK-NWANDNLSSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734274026 666860723 /nfs/dbraw/zinc/86/07/23/666860723.db2.gz FURRYQZSGNZXTK-NWANDNLSSA-N 1 3 308.426 0.386 20 0 DCADHO C[C@H](O)CN1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290056 666979313 /nfs/dbraw/zinc/97/93/13/666979313.db2.gz FIGHTRQYKRRJKW-LSDHHAIUSA-N 1 3 309.454 0.966 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCn3cncn3)C2)C1 ZINC001034526551 667056931 /nfs/dbraw/zinc/05/69/31/667056931.db2.gz ZGQOIRRHPJWYLD-CABCVRRESA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCn3cncn3)C2)C1 ZINC001034526551 667056936 /nfs/dbraw/zinc/05/69/36/667056936.db2.gz ZGQOIRRHPJWYLD-CABCVRRESA-N 1 3 320.441 0.201 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997008539 667071144 /nfs/dbraw/zinc/07/11/44/667071144.db2.gz NEAWIJCNTOUGMQ-BXUZGUMPSA-N 1 3 323.466 0.816 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997008539 667071148 /nfs/dbraw/zinc/07/11/48/667071148.db2.gz NEAWIJCNTOUGMQ-BXUZGUMPSA-N 1 3 323.466 0.816 20 0 DCADHO CC(C)COCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549473 667156446 /nfs/dbraw/zinc/15/64/46/667156446.db2.gz KGUMHANBYXPXOW-CABCVRRESA-N 1 3 311.426 0.916 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)C1 ZINC001035048103 667228551 /nfs/dbraw/zinc/22/85/51/667228551.db2.gz LQYUQCMGUZKPIF-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001035052629 667230678 /nfs/dbraw/zinc/23/06/78/667230678.db2.gz SJURQKOZEPKYCT-CABCVRRESA-N 1 3 307.442 0.841 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997605794 667347045 /nfs/dbraw/zinc/34/70/45/667347045.db2.gz HXPZTXLTVXIMSN-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997609102 667348186 /nfs/dbraw/zinc/34/81/86/667348186.db2.gz ZBZRBEFLKPVYOD-OAHLLOKOSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC001036194416 667429430 /nfs/dbraw/zinc/42/94/30/667429430.db2.gz PNXMYGZVYGRJPR-ZFWWWQNUSA-N 1 3 316.409 0.676 20 0 DCADHO Cc1cccc(C)c1OC[C@@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000923286603 667496423 /nfs/dbraw/zinc/49/64/23/667496423.db2.gz PJLXBYSKMSBDQB-KRWDZBQOSA-N 1 3 321.465 0.880 20 0 DCADHO CS(=O)(=O)N[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923302552 667500782 /nfs/dbraw/zinc/50/07/82/667500782.db2.gz BVHKHNHQTPCVEF-JALIKCBVSA-N 1 3 315.483 0.921 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000884223802 667503565 /nfs/dbraw/zinc/50/35/65/667503565.db2.gz YXWUDIBZWUTLCB-BMFZPTHFSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000884223802 667503567 /nfs/dbraw/zinc/50/35/67/667503567.db2.gz YXWUDIBZWUTLCB-BMFZPTHFSA-N 1 3 305.422 0.987 20 0 DCADHO CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923374616 667519760 /nfs/dbraw/zinc/51/97/60/667519760.db2.gz BUDYRLWHUCSOAW-CABCVRRESA-N 1 3 311.430 0.550 20 0 DCADHO CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923374616 667519762 /nfs/dbraw/zinc/51/97/62/667519762.db2.gz BUDYRLWHUCSOAW-CABCVRRESA-N 1 3 311.430 0.550 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000923482196 667544112 /nfs/dbraw/zinc/54/41/12/667544112.db2.gz CLNBBKCSGAYHCK-OAHLLOKOSA-N 1 3 316.449 0.836 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884576548 667569463 /nfs/dbraw/zinc/56/94/63/667569463.db2.gz KCSQGYVYWXMJJW-KKUMJFAQSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)N2CCNCC2)C1 ZINC000923589736 667573155 /nfs/dbraw/zinc/57/31/55/667573155.db2.gz UBRXFEUURCAFCM-KBPBESRZSA-N 1 3 318.487 0.094 20 0 DCADHO C[C@@H](NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C1=CCN(C)CC1 ZINC000884623624 667578009 /nfs/dbraw/zinc/57/80/09/667578009.db2.gz JTMPGYLWVAECFJ-UMVBOHGHSA-N 1 3 322.453 0.387 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1(C)C ZINC000884685253 667589595 /nfs/dbraw/zinc/58/95/95/667589595.db2.gz BXRQKWPLEYOMKV-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO CN1CCN(C(=O)C(=O)NCCCCCC[NH3+])CCC1(C)C ZINC000884732005 667602464 /nfs/dbraw/zinc/60/24/64/667602464.db2.gz IUWUSTJEFDGYTJ-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923620929 667745638 /nfs/dbraw/zinc/74/56/38/667745638.db2.gz HDZHCQGBWDHZGX-MGPQQGTHSA-N 1 3 301.456 0.627 20 0 DCADHO CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000886319336 667755790 /nfs/dbraw/zinc/75/57/90/667755790.db2.gz BLHMJLNTAORVNU-GFCCVEGCSA-N 1 3 303.472 0.873 20 0 DCADHO COC(=O)c1cncc([C@H](C)NCC2(O)CC[NH+](C)CC2)c1 ZINC000886530229 667774819 /nfs/dbraw/zinc/77/48/19/667774819.db2.gz GTBABKFMFPJILO-LBPRGKRZSA-N 1 3 307.394 0.976 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886901095 667817146 /nfs/dbraw/zinc/81/71/46/667817146.db2.gz PQIAHYLNNVGJNX-AWEZNQCLSA-N 1 3 303.472 0.734 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCCCCC[NH3+])CC1 ZINC000872155035 667870633 /nfs/dbraw/zinc/87/06/33/667870633.db2.gz KTZVVGLGDNSFFU-CQSZACIVSA-N 1 3 312.458 0.517 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000924442162 668206765 /nfs/dbraw/zinc/20/67/65/668206765.db2.gz WNCCCQORINFVGZ-CABCVRRESA-N 1 3 316.405 0.743 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000924442162 668206769 /nfs/dbraw/zinc/20/67/69/668206769.db2.gz WNCCCQORINFVGZ-CABCVRRESA-N 1 3 316.405 0.743 20 0 DCADHO CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCN2C)C[C@H]1CC ZINC000925408440 668311660 /nfs/dbraw/zinc/31/16/60/668311660.db2.gz ZBDIFAPENUPRCO-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CCN2C)C[C@H]1CC ZINC000925408440 668311665 /nfs/dbraw/zinc/31/16/65/668311665.db2.gz ZBDIFAPENUPRCO-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO COC(=O)c1cn(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)nn1 ZINC000925667883 668339950 /nfs/dbraw/zinc/33/99/50/668339950.db2.gz UATLTGVZHRPQNF-KGLIPLIRSA-N 1 3 321.425 0.823 20 0 DCADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925725964 668342767 /nfs/dbraw/zinc/34/27/67/668342767.db2.gz FJEJMEQGMSYGAW-LSDHHAIUSA-N 1 3 323.462 0.997 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926336685 668395971 /nfs/dbraw/zinc/39/59/71/668395971.db2.gz ZWNSOETXDAMWBJ-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C)C[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000876720172 668495313 /nfs/dbraw/zinc/49/53/13/668495313.db2.gz CQDRJQBGQXFFMJ-INIZCTEOSA-N 1 3 304.438 0.788 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(CN)cnn2C)C1 ZINC000876724105 668496583 /nfs/dbraw/zinc/49/65/83/668496583.db2.gz NSALWWFDTMVANN-STQMWFEESA-N 1 3 307.442 0.977 20 0 DCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(CN)cnn1C ZINC000876735574 668499459 /nfs/dbraw/zinc/49/94/59/668499459.db2.gz FXSZCNGHIKBNQU-XQQFMLRXSA-N 1 3 307.442 0.975 20 0 DCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(CN)cnn1C ZINC000876735574 668499461 /nfs/dbraw/zinc/49/94/61/668499461.db2.gz FXSZCNGHIKBNQU-XQQFMLRXSA-N 1 3 307.442 0.975 20 0 DCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(CN)cnn1C ZINC000876735571 668499489 /nfs/dbraw/zinc/49/94/89/668499489.db2.gz FXSZCNGHIKBNQU-FRRDWIJNSA-N 1 3 307.442 0.975 20 0 DCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(CN)cnn1C ZINC000876735571 668499491 /nfs/dbraw/zinc/49/94/91/668499491.db2.gz FXSZCNGHIKBNQU-FRRDWIJNSA-N 1 3 307.442 0.975 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000927814086 668512812 /nfs/dbraw/zinc/51/28/12/668512812.db2.gz UCTJHDYMDDHDED-OCCSQVGLSA-N 1 3 318.421 0.658 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876966260 668543961 /nfs/dbraw/zinc/54/39/61/668543961.db2.gz SKHMAAOFEBRUNX-DANTVBBOSA-N 1 3 310.442 0.021 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000877154679 668569205 /nfs/dbraw/zinc/56/92/05/668569205.db2.gz WWWNPTZYISOFAB-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)c2)nn1 ZINC000877208070 668576617 /nfs/dbraw/zinc/57/66/17/668576617.db2.gz RPGRQIKGFHKVTN-OAHLLOKOSA-N 1 3 318.356 0.044 20 0 DCADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346731 668606425 /nfs/dbraw/zinc/60/64/25/668606425.db2.gz HAFHRRBZMFCHAF-HOTGVXAUSA-N 1 3 303.406 0.586 20 0 DCADHO COC[C@]1(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CCCCN1 ZINC000877354233 668608392 /nfs/dbraw/zinc/60/83/92/668608392.db2.gz CUPBXYRKVDZZBR-LOWVWBTDSA-N 1 3 323.359 0.741 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877403020 668616543 /nfs/dbraw/zinc/61/65/43/668616543.db2.gz LDYYLRVBPDUGPS-OLZOCXBDSA-N 1 3 311.426 0.696 20 0 DCADHO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)C1CNC1 ZINC000923674968 668732899 /nfs/dbraw/zinc/73/28/99/668732899.db2.gz UWHOURKYXWJGHU-UHFFFAOYSA-N 1 3 303.472 0.588 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CCN[C@@H](c2ccc(OC)cc2)C1 ZINC000879523634 669053313 /nfs/dbraw/zinc/05/33/13/669053313.db2.gz LWKPNUGUJGVZNK-DOTOQJQBSA-N 1 3 307.438 0.954 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CCN[C@@H](c2ccc(OC)cc2)C1 ZINC000879523634 669053321 /nfs/dbraw/zinc/05/33/21/669053321.db2.gz LWKPNUGUJGVZNK-DOTOQJQBSA-N 1 3 307.438 0.954 20 0 DCADHO C[NH+](C)CC1(O)CCN(C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000931479795 669209811 /nfs/dbraw/zinc/20/98/11/669209811.db2.gz BTMRXRLADSIWSR-IAGOWNOFSA-N 1 3 322.449 0.860 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC000931989685 669293681 /nfs/dbraw/zinc/29/36/81/669293681.db2.gz QNJURAFHFPAYJS-AWEZNQCLSA-N 1 3 313.442 0.324 20 0 DCADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCO)C1)C1CCC1 ZINC001036736836 670167263 /nfs/dbraw/zinc/16/72/63/670167263.db2.gz HMYLGGUSZWODOZ-GOEBONIOSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCO)C1)C1CCC1 ZINC001036736836 670167266 /nfs/dbraw/zinc/16/72/66/670167266.db2.gz HMYLGGUSZWODOZ-GOEBONIOSA-N 1 3 309.454 0.776 20 0 DCADHO CON(C)C(=O)CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000808742111 670423021 /nfs/dbraw/zinc/42/30/21/670423021.db2.gz HXWPWSQTRGDYCZ-UHFFFAOYSA-N 1 3 300.447 0.354 20 0 DCADHO CON(C)C(=O)CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000808742111 670423023 /nfs/dbraw/zinc/42/30/23/670423023.db2.gz HXWPWSQTRGDYCZ-UHFFFAOYSA-N 1 3 300.447 0.354 20 0 DCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000813630934 670640543 /nfs/dbraw/zinc/64/05/43/670640543.db2.gz SFAJRTSLFDZXDQ-ZOBUZTSGSA-N 1 3 322.453 0.587 20 0 DCADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000813630934 670640546 /nfs/dbraw/zinc/64/05/46/670640546.db2.gz SFAJRTSLFDZXDQ-ZOBUZTSGSA-N 1 3 322.453 0.587 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN(C)C1=O ZINC000855346432 670701022 /nfs/dbraw/zinc/70/10/22/670701022.db2.gz BPDZSPRAOITHMM-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCN(C)C1=O ZINC000855346432 670701025 /nfs/dbraw/zinc/70/10/25/670701025.db2.gz BPDZSPRAOITHMM-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC(F)(F)F ZINC000848994814 670746901 /nfs/dbraw/zinc/74/69/01/670746901.db2.gz CCALRVYGJOPWKZ-VIFPVBQESA-N 1 3 309.336 0.263 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000849044006 670754750 /nfs/dbraw/zinc/75/47/50/670754750.db2.gz PNBUFLDCIKKASK-IHRRRGAJSA-N 1 3 309.458 0.876 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000817988385 670959405 /nfs/dbraw/zinc/95/94/05/670959405.db2.gz JICUJAFAVZGGAZ-RHSMWYFYSA-N 1 3 322.453 0.282 20 0 DCADHO CC1(N2CCOCC2)CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000859774799 671146308 /nfs/dbraw/zinc/14/63/08/671146308.db2.gz XKOXDLCIAPIYGH-MRXNPFEDSA-N 1 3 311.470 0.630 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2c(s1)CCNC2 ZINC000852797800 671161378 /nfs/dbraw/zinc/16/13/78/671161378.db2.gz BPZNBIWCJGGLGL-QWHCGFSZSA-N 1 3 321.446 0.987 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(s1)CCNC2 ZINC000852797800 671161381 /nfs/dbraw/zinc/16/13/81/671161381.db2.gz BPZNBIWCJGGLGL-QWHCGFSZSA-N 1 3 321.446 0.987 20 0 DCADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)[C@@H]2C1 ZINC000824302909 671427308 /nfs/dbraw/zinc/42/73/08/671427308.db2.gz IWCYRQDUGJQMPJ-ZJIFWQFVSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)[C@@H]2C1 ZINC000824302909 671427310 /nfs/dbraw/zinc/42/73/10/671427310.db2.gz IWCYRQDUGJQMPJ-ZJIFWQFVSA-N 1 3 322.453 0.585 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841789113 671955337 /nfs/dbraw/zinc/95/53/37/671955337.db2.gz MIVUZPLOTUNLLL-UXLLHSPISA-N 1 3 322.453 0.635 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]21 ZINC000841790789 671955553 /nfs/dbraw/zinc/95/55/53/671955553.db2.gz KBMHQNYFIYLSDY-OXGONZEZSA-N 1 3 322.453 0.618 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CCCCC1 ZINC000842015262 671974293 /nfs/dbraw/zinc/97/42/93/671974293.db2.gz JMRKZRWJMKXDKY-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000842173499 671989199 /nfs/dbraw/zinc/98/91/99/671989199.db2.gz SRUMRWHFCLPMTH-KRWDZBQOSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843259862 672075814 /nfs/dbraw/zinc/07/58/14/672075814.db2.gz AKOHBXAKTOKGGX-AWEZNQCLSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])C1=CCN(C)CC1 ZINC000843259232 672075848 /nfs/dbraw/zinc/07/58/48/672075848.db2.gz LVZUUUZZASQUKJ-CYBMUJFWSA-N 1 3 310.442 0.388 20 0 DCADHO CCN1C[C@@H](CN(C)CCC[N@H+](C)CCN(C)C)OC1=O ZINC000846906672 672352380 /nfs/dbraw/zinc/35/23/80/672352380.db2.gz QQHXJGJAGKNEAD-CQSZACIVSA-N 1 3 300.447 0.642 20 0 DCADHO CCN1C[C@@H](CN(C)CCC[N@@H+](C)CCN(C)C)OC1=O ZINC000846906672 672352384 /nfs/dbraw/zinc/35/23/84/672352384.db2.gz QQHXJGJAGKNEAD-CQSZACIVSA-N 1 3 300.447 0.642 20 0 DCADHO O=C1C[C@H]([N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C(=O)N1 ZINC000382014607 685240098 /nfs/dbraw/zinc/24/00/98/685240098.db2.gz VVFLRDHBBNDRGP-XHSDSOJGSA-N 1 3 313.401 0.855 20 0 DCADHO O=C1C[C@H]([N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C(=O)N1 ZINC000382014607 685240104 /nfs/dbraw/zinc/24/01/04/685240104.db2.gz VVFLRDHBBNDRGP-XHSDSOJGSA-N 1 3 313.401 0.855 20 0 DCADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037926663 693968789 /nfs/dbraw/zinc/96/87/89/693968789.db2.gz OSZBXUOUPQUGDW-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000954322838 685994264 /nfs/dbraw/zinc/99/42/64/685994264.db2.gz VOYGUVVWKNWAKS-CYBMUJFWSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)C1(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000954322838 685994268 /nfs/dbraw/zinc/99/42/68/685994268.db2.gz VOYGUVVWKNWAKS-CYBMUJFWSA-N 1 3 322.453 0.092 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CC[N@@H+](CCO)C2)C1 ZINC000961232288 688577406 /nfs/dbraw/zinc/57/74/06/688577406.db2.gz PIMZHJOLKCYAAE-UONOGXRCSA-N 1 3 306.410 0.505 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CC[N@H+](CCO)C2)C1 ZINC000961232288 688577408 /nfs/dbraw/zinc/57/74/08/688577408.db2.gz PIMZHJOLKCYAAE-UONOGXRCSA-N 1 3 306.410 0.505 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038932632 694245477 /nfs/dbraw/zinc/24/54/77/694245477.db2.gz AGQJTEBPPVSKSV-CHWSQXEVSA-N 1 3 306.410 0.987 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038932632 694245479 /nfs/dbraw/zinc/24/54/79/694245479.db2.gz AGQJTEBPPVSKSV-CHWSQXEVSA-N 1 3 306.410 0.987 20 0 DCADHO Cc1ncoc1CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962699808 688968416 /nfs/dbraw/zinc/96/84/16/688968416.db2.gz AGZBOIYJYFPXIR-ROKHWSDSSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1ncoc1CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000962699808 688968418 /nfs/dbraw/zinc/96/84/18/688968418.db2.gz AGZBOIYJYFPXIR-ROKHWSDSSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC000968724279 690379581 /nfs/dbraw/zinc/37/95/81/690379581.db2.gz DVVRWUZDLAOOAI-UMVBOHGHSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC000968724279 690379586 /nfs/dbraw/zinc/37/95/86/690379586.db2.gz DVVRWUZDLAOOAI-UMVBOHGHSA-N 1 3 305.426 0.451 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC000968737608 690382303 /nfs/dbraw/zinc/38/23/03/690382303.db2.gz BEYVFTYHEVXZSO-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC000968737608 690382304 /nfs/dbraw/zinc/38/23/04/690382304.db2.gz BEYVFTYHEVXZSO-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCN3CCCC3=O)C2)CCC1 ZINC000968904062 690420246 /nfs/dbraw/zinc/42/02/46/690420246.db2.gz HYTKHTDWAKZIRX-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](O)CN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016330848 692654500 /nfs/dbraw/zinc/65/45/00/692654500.db2.gz WAEUFQNALFMFCJ-DZGCQCFKSA-N 1 3 305.422 0.933 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001017102772 692848713 /nfs/dbraw/zinc/84/87/13/692848713.db2.gz BUEMYURQIFHXCY-LKSINWNRSA-N 1 3 319.409 0.010 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001017102772 692848718 /nfs/dbraw/zinc/84/87/18/692848718.db2.gz BUEMYURQIFHXCY-LKSINWNRSA-N 1 3 319.409 0.010 20 0 DCADHO COc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)ccn1 ZINC001018628853 693169082 /nfs/dbraw/zinc/16/90/82/693169082.db2.gz RWXNBYVTBMKSDE-GJZGRUSLSA-N 1 3 318.421 0.875 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)CC[N@@H+]1C ZINC001018866324 693268576 /nfs/dbraw/zinc/26/85/76/693268576.db2.gz ZEBIFJGWEQIUEH-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)CC[N@H+]1C ZINC001018866324 693268578 /nfs/dbraw/zinc/26/85/78/693268578.db2.gz ZEBIFJGWEQIUEH-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2cnn(C)c2)C1)[NH+](C)C ZINC001019000957 693317188 /nfs/dbraw/zinc/31/71/88/693317188.db2.gz ZOWBWVQTVNCVEW-GJZGRUSLSA-N 1 3 307.442 0.697 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC001019325380 693433303 /nfs/dbraw/zinc/43/33/03/693433303.db2.gz YGQSLIDUXFJLNG-ZDUSSCGKSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001019380681 693453927 /nfs/dbraw/zinc/45/39/27/693453927.db2.gz JDAIBHGLBBHVRV-BBRMVZONSA-N 1 3 319.453 0.903 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001019380681 693453930 /nfs/dbraw/zinc/45/39/30/693453930.db2.gz JDAIBHGLBBHVRV-BBRMVZONSA-N 1 3 319.453 0.903 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001019394711 693461018 /nfs/dbraw/zinc/46/10/18/693461018.db2.gz NQRJVQOMEWWPTD-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001019560577 693522269 /nfs/dbraw/zinc/52/22/69/693522269.db2.gz NQQNCOAUHWGCFL-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)[C@@H]1C)N(C)C ZINC001074709413 694918465 /nfs/dbraw/zinc/91/84/65/694918465.db2.gz BACILDMLTKQZHT-BYNSBNAKSA-N 1 3 324.469 0.526 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076161385 695002417 /nfs/dbraw/zinc/00/24/17/695002417.db2.gz KTCYZSDAQQGAAH-ARFHVFGLSA-N 1 3 309.454 0.633 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001076161385 695002418 /nfs/dbraw/zinc/00/24/18/695002418.db2.gz KTCYZSDAQQGAAH-ARFHVFGLSA-N 1 3 309.454 0.633 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001076712160 695040023 /nfs/dbraw/zinc/04/00/23/695040023.db2.gz ZQZAYHVDZIDAKI-HZPDHXFCSA-N 1 3 313.357 0.295 20 0 DCADHO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001076712160 695040024 /nfs/dbraw/zinc/04/00/24/695040024.db2.gz ZQZAYHVDZIDAKI-HZPDHXFCSA-N 1 3 313.357 0.295 20 0 DCADHO CC(C)(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001076713375 695040106 /nfs/dbraw/zinc/04/01/06/695040106.db2.gz YMIGCIMYQVGIIK-VXGBXAGGSA-N 1 3 308.382 0.393 20 0 DCADHO CC(C)(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001076713375 695040107 /nfs/dbraw/zinc/04/01/07/695040107.db2.gz YMIGCIMYQVGIIK-VXGBXAGGSA-N 1 3 308.382 0.393 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001076972046 695113140 /nfs/dbraw/zinc/11/31/40/695113140.db2.gz CXUJIQYLDMBYSE-ZFWWWQNUSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@H](CCC[NH2+]Cc1cnnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001571269544 1162688551 /nfs/dbraw/zinc/68/85/51/1162688551.db2.gz BBHSNMIKPCOZAJ-CYBMUJFWSA-N 1 3 322.457 0.674 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754072366 1157498893 /nfs/dbraw/zinc/49/88/93/1157498893.db2.gz WTNOWPVFFUQFSN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754072366 1157498896 /nfs/dbraw/zinc/49/88/96/1157498896.db2.gz WTNOWPVFFUQFSN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CCN(C)C1=O ZINC001752212547 1157886826 /nfs/dbraw/zinc/88/68/26/1157886826.db2.gz OFDGJWLKXHVSBR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1CCN(C)C1=O ZINC001752212547 1157886836 /nfs/dbraw/zinc/88/68/36/1157886836.db2.gz OFDGJWLKXHVSBR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCN(C)C1=O ZINC001752212547 1157886845 /nfs/dbraw/zinc/88/68/45/1157886845.db2.gz OFDGJWLKXHVSBR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCN(C)C1=O ZINC001752212547 1157886849 /nfs/dbraw/zinc/88/68/49/1157886849.db2.gz OFDGJWLKXHVSBR-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001752766502 1158157877 /nfs/dbraw/zinc/15/78/77/1158157877.db2.gz RHOCXFOWKRKMMB-SOUVJXGZSA-N 1 3 324.469 0.481 20 0 DCADHO [NH3+]CC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC(O)C1 ZINC001648961503 1158188645 /nfs/dbraw/zinc/18/86/45/1158188645.db2.gz CKWMVHIZCWVXPF-UQPPLGOBSA-N 1 3 303.406 0.477 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001649001981 1158369217 /nfs/dbraw/zinc/36/92/17/1158369217.db2.gz UUPKOMBOEGJHQP-FVQBIDKESA-N 1 3 306.454 0.365 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001649001981 1158369240 /nfs/dbraw/zinc/36/92/40/1158369240.db2.gz UUPKOMBOEGJHQP-FVQBIDKESA-N 1 3 306.454 0.365 20 0 DCADHO CN(C(=O)C[C@@H](N)C(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001649031417 1158500387 /nfs/dbraw/zinc/50/03/87/1158500387.db2.gz BVAWIUMKEGLKTM-CHWSQXEVSA-N 1 3 318.412 0.596 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)Nc1ccc2c(c1)OCCNC2 ZINC001649037822 1158607720 /nfs/dbraw/zinc/60/77/20/1158607720.db2.gz BPMRJZMGOCEZJQ-INIZCTEOSA-N 1 3 305.378 0.612 20 0 DCADHO CN(C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)[C@H]1CN2CCC1CC2 ZINC001649042193 1158618413 /nfs/dbraw/zinc/61/84/13/1158618413.db2.gz LOBBPGAVQWTHHW-HOCLYGCPSA-N 1 3 306.410 0.438 20 0 DCADHO COCC[C@H]1CNCCN1C(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001649131110 1158730993 /nfs/dbraw/zinc/73/09/93/1158730993.db2.gz KBDRCPOVULUWRZ-LBPRGKRZSA-N 1 3 309.435 0.844 20 0 DCADHO NC(=O)C1(c2ccccc2)CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923315464 1158739564 /nfs/dbraw/zinc/73/95/64/1158739564.db2.gz HHXBELXHCUSYHU-KKUMJFAQSA-N 1 3 303.406 0.356 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001649143269 1158790558 /nfs/dbraw/zinc/79/05/58/1158790558.db2.gz NUDGBAUNSBUXFO-BQFCYCMXSA-N 1 3 316.449 0.704 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001390200571 1159213358 /nfs/dbraw/zinc/21/33/58/1159213358.db2.gz FJZXDZWWZGFHKE-WMLDXEAASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001390200571 1159213363 /nfs/dbraw/zinc/21/33/63/1159213363.db2.gz FJZXDZWWZGFHKE-WMLDXEAASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001390200549 1159213416 /nfs/dbraw/zinc/21/34/16/1159213416.db2.gz FJZXDZWWZGFHKE-PBHICJAKSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390200549 1159213422 /nfs/dbraw/zinc/21/34/22/1159213422.db2.gz FJZXDZWWZGFHKE-PBHICJAKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1)C(N)=O ZINC001445956668 1159325258 /nfs/dbraw/zinc/32/52/58/1159325258.db2.gz PFNYQMVXSBMKNI-TZMCWYRMSA-N 1 3 322.453 0.221 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001446458529 1159424872 /nfs/dbraw/zinc/42/48/72/1159424872.db2.gz FIMMVJPOTRNZTK-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001447264994 1159606938 /nfs/dbraw/zinc/60/69/38/1159606938.db2.gz OGANIQGGYNREMM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001447264994 1159606942 /nfs/dbraw/zinc/60/69/42/1159606942.db2.gz OGANIQGGYNREMM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001566508461 1160031553 /nfs/dbraw/zinc/03/15/53/1160031553.db2.gz FSNBHZAPLOTQII-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001566508461 1160031559 /nfs/dbraw/zinc/03/15/59/1160031559.db2.gz FSNBHZAPLOTQII-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@@H]2CCNC(=O)CC2)CCC1 ZINC001567507931 1160401773 /nfs/dbraw/zinc/40/17/73/1160401773.db2.gz MXJYRZJKYBFBMB-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCN(C)C(=O)CC[NH+](C)C ZINC001567555517 1160419233 /nfs/dbraw/zinc/41/92/33/1160419233.db2.gz QGIQSHKIWLRSHU-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)n1 ZINC001568292104 1160621920 /nfs/dbraw/zinc/62/19/20/1160621920.db2.gz WJLOXRINOHVRRZ-SWLSCSKDSA-N 1 3 322.457 0.426 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001568714813 1160746227 /nfs/dbraw/zinc/74/62/27/1160746227.db2.gz ZCJGSDTWQJVOPN-ZIAGYGMSSA-N 1 3 322.457 0.590 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC(c3nc(CN)n[nH]3)CC2)CC[N@@H+]1C ZINC001574111636 1163638628 /nfs/dbraw/zinc/63/86/28/1163638628.db2.gz BFVQBKLHLWANFP-AAEUAGOBSA-N 1 3 320.441 0.700 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC(c3nc(CN)n[nH]3)CC2)CC[N@H+]1C ZINC001574111636 1163638631 /nfs/dbraw/zinc/63/86/31/1163638631.db2.gz BFVQBKLHLWANFP-AAEUAGOBSA-N 1 3 320.441 0.700 20 0 DCADHO CC(C)(C)CC[C@H]([NH3+])CNC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001575130526 1163909088 /nfs/dbraw/zinc/90/90/88/1163909088.db2.gz NYJWYQQTMLMLFD-YQQAZPJKSA-N 1 3 313.486 0.955 20 0 DCADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001575130526 1163909093 /nfs/dbraw/zinc/90/90/93/1163909093.db2.gz NYJWYQQTMLMLFD-YQQAZPJKSA-N 1 3 313.486 0.955 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001575139131 1163912163 /nfs/dbraw/zinc/91/21/63/1163912163.db2.gz ILMJBRDQQJKHLR-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[C@@H](CNCc1c[nH]nn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575360375 1163988205 /nfs/dbraw/zinc/98/82/05/1163988205.db2.gz HUMHECCWPLLHQC-KBPBESRZSA-N 1 3 322.457 0.767 20 0 DCADHO CC(C)C[C@@H](CNCc1c[nH]nn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575360375 1163988212 /nfs/dbraw/zinc/98/82/12/1163988212.db2.gz HUMHECCWPLLHQC-KBPBESRZSA-N 1 3 322.457 0.767 20 0 DCADHO CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001575557412 1164059377 /nfs/dbraw/zinc/05/93/77/1164059377.db2.gz AASSBFZGJITESY-HUUCEWRRSA-N 1 3 324.469 0.691 20 0 DCADHO CC(C)N1CCC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001575701174 1164113476 /nfs/dbraw/zinc/11/34/76/1164113476.db2.gz XBTMTIGHLQEPPO-ZIAGYGMSSA-N 1 3 320.441 0.805 20 0 DCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001576754924 1164452689 /nfs/dbraw/zinc/45/26/89/1164452689.db2.gz VVHPSSGMZJDTQY-OLZOCXBDSA-N 1 3 313.442 0.946 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H](O)C[NH3+])N1CCc2ccccc2C1 ZINC001577086583 1164600243 /nfs/dbraw/zinc/60/02/43/1164600243.db2.gz YNETVWFPUZKKEJ-JKSUJKDBSA-N 1 3 305.422 0.649 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@H]2CC[NH2+]2)CC1 ZINC001577778375 1164791955 /nfs/dbraw/zinc/79/19/55/1164791955.db2.gz WFILTUMCGBBEPL-LSDHHAIUSA-N 1 3 311.474 0.263 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H](NCc2cn[nH]n2)C1 ZINC001577805042 1164802786 /nfs/dbraw/zinc/80/27/86/1164802786.db2.gz GXRSRXREJSNNJE-OKILXGFUSA-N 1 3 320.441 0.808 20 0 DCADHO CCOCCCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001578107801 1164923973 /nfs/dbraw/zinc/92/39/73/1164923973.db2.gz KRZNPHKRASWNSX-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO CCn1cnnc1CCNCc1ccc(N2CC[NH2+]CC2)o1 ZINC001578359354 1164984977 /nfs/dbraw/zinc/98/49/77/1164984977.db2.gz HTZFCVJGFMMKSO-UHFFFAOYSA-N 1 3 304.398 0.633 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1C[NH2+]CCN1C)Cc1ccco1 ZINC001578466727 1165024318 /nfs/dbraw/zinc/02/43/18/1165024318.db2.gz SNYNPIMZGCCUBZ-OAHLLOKOSA-N 1 3 308.426 0.464 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001578529211 1165047069 /nfs/dbraw/zinc/04/70/69/1165047069.db2.gz QUIFCQWKMOVMPZ-KWCYVHTRSA-N 1 3 303.410 0.985 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001578640342 1165073896 /nfs/dbraw/zinc/07/38/96/1165073896.db2.gz GSPWIXYEGMKTOR-TZMCWYRMSA-N 1 3 313.467 0.855 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001578647226 1165077013 /nfs/dbraw/zinc/07/70/13/1165077013.db2.gz USTPFOVNFFKEQA-FMKPAKJESA-N 1 3 307.438 0.840 20 0 DCADHO COCCCN(C(=O)[C@H]1[C@@H](C[NH3+])C1(F)F)C1CCN(C)CC1 ZINC001579014341 1165188438 /nfs/dbraw/zinc/18/84/38/1165188438.db2.gz LYLCDPZDUDGMAG-CHWSQXEVSA-N 1 3 319.396 0.786 20 0 DCADHO COCCN1CCC(NC(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001579038131 1165192792 /nfs/dbraw/zinc/19/27/92/1165192792.db2.gz BIOIYRLFYURNBQ-UHFFFAOYSA-N 1 3 309.414 0.073 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C[C@H]1CC[NH3+] ZINC001579432705 1165308306 /nfs/dbraw/zinc/30/83/06/1165308306.db2.gz IHMJGBATRXOJOF-FMKPAKJESA-N 1 3 324.469 0.866 20 0 DCADHO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001580478838 1165615659 /nfs/dbraw/zinc/61/56/59/1165615659.db2.gz GYIYSVVCBIEGGJ-IVSAIRAKSA-N 1 3 307.438 0.434 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001580509284 1165625518 /nfs/dbraw/zinc/62/55/18/1165625518.db2.gz TURBVGLKGZZJEA-QHEDDYRISA-N 1 3 321.465 0.965 20 0 DCADHO O=C1CC[C@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)CC[C@@H]2N1 ZINC001580846241 1165735095 /nfs/dbraw/zinc/73/50/95/1165735095.db2.gz UXVXKCPNFRXQPZ-ZFWWWQNUSA-N 1 3 318.421 0.790 20 0 DCADHO OC[C@@]1(c2ccccc2)CCCN(CCN2CC[NH2+]CC2)C1 ZINC001580882201 1165750070 /nfs/dbraw/zinc/75/00/70/1165750070.db2.gz OTGSMUYVXCZQNN-GOSISDBHSA-N 1 3 303.450 0.918 20 0 DCADHO O[C@]1(CN2CCN(c3ccnc(F)c3)CC2)CCC[NH2+]CC1 ZINC001580880349 1165750142 /nfs/dbraw/zinc/75/01/42/1165750142.db2.gz MIGCQQPEPWYJTR-MRXNPFEDSA-N 1 3 308.401 0.847 20 0 DCADHO CN(CCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1)CC[NH+](C)C ZINC001604686607 1169656153 /nfs/dbraw/zinc/65/61/53/1169656153.db2.gz QUMHPBVNJYIHOW-UHFFFAOYSA-N 1 3 323.470 0.901 20 0 DCADHO COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1-c1nnn[n-]1 ZINC001605217683 1169875631 /nfs/dbraw/zinc/87/56/31/1169875631.db2.gz ICJDVBCPZNLZLW-NSHDSACASA-N 1 3 302.382 0.965 20 0 DCADHO COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1-c1nn[n-]n1 ZINC001605217683 1169875644 /nfs/dbraw/zinc/87/56/44/1169875644.db2.gz ICJDVBCPZNLZLW-NSHDSACASA-N 1 3 302.382 0.965 20 0 DCADHO CC[NH+](CC)CCSCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001635942724 1171717494 /nfs/dbraw/zinc/71/74/94/1171717494.db2.gz YFLBDXDZUDFQAO-CYBMUJFWSA-N 1 3 315.483 0.651 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc21 ZINC001646747724 1172507559 /nfs/dbraw/zinc/50/75/59/1172507559.db2.gz IWHFYHALCAIEQA-MLGOLLRUSA-N 1 3 303.410 0.892 20 0 DCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H](O)C[NH3+] ZINC001646747105 1172508022 /nfs/dbraw/zinc/50/80/22/1172508022.db2.gz DGXKGONJKOLZCZ-GFCCVEGCSA-N 1 3 315.364 0.565 20 0 DCADHO O=C(CCc1cn[nH]n1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC001646774960 1172523892 /nfs/dbraw/zinc/52/38/92/1172523892.db2.gz CJEUUEQGOQRHNE-UHFFFAOYSA-N 1 3 301.354 0.181 20 0 DCADHO O=C(CCc1c[nH]nn1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC001646774960 1172523898 /nfs/dbraw/zinc/52/38/98/1172523898.db2.gz CJEUUEQGOQRHNE-UHFFFAOYSA-N 1 3 301.354 0.181 20 0 DCADHO O=C(c1cccc2c1CNC2)N1CCC2(CC1)C[NH2+]CCO2 ZINC001646805636 1172543142 /nfs/dbraw/zinc/54/31/42/1172543142.db2.gz WBMJBTQZIXUITB-UHFFFAOYSA-N 1 3 301.390 0.884 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC001647247315 1172763302 /nfs/dbraw/zinc/76/33/02/1172763302.db2.gz DXAYRJCBKSSQJA-CALCHBBNSA-N 1 3 316.449 0.788 20 0 DCADHO C[S@@](=O)C1(C(=O)Nc2ccc3c(c2)CNC3)CC[NH2+]CC1 ZINC001649961121 1173340224 /nfs/dbraw/zinc/34/02/24/1173340224.db2.gz OSENTOPAACEEQC-OAQYLSRUSA-N 1 3 307.419 0.729 20 0 DCADHO CSC[C@@H](O)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001650159517 1173489178 /nfs/dbraw/zinc/48/91/78/1173489178.db2.gz UFWNAKMPYNBOGA-JKSUJKDBSA-N 1 3 310.463 0.937 20 0 DCADHO CSC[C@@H](O)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001650159517 1173489182 /nfs/dbraw/zinc/48/91/82/1173489182.db2.gz UFWNAKMPYNBOGA-JKSUJKDBSA-N 1 3 310.463 0.937 20 0 DCADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001650160348 1173489561 /nfs/dbraw/zinc/48/95/61/1173489561.db2.gz PILJVUXBAXBAII-QBYUYEEZSA-N 1 3 322.453 0.763 20 0 DCADHO CSC[C@H](O)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001650159516 1173489619 /nfs/dbraw/zinc/48/96/19/1173489619.db2.gz UFWNAKMPYNBOGA-HZPDHXFCSA-N 1 3 310.463 0.937 20 0 DCADHO CSC[C@H](O)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001650159516 1173489623 /nfs/dbraw/zinc/48/96/23/1173489623.db2.gz UFWNAKMPYNBOGA-HZPDHXFCSA-N 1 3 310.463 0.937 20 0 DCADHO CN(C[C@H](O)C[NH2+]C1CCN(c2nccn2C)CC1)C1CC1 ZINC001650171011 1173496137 /nfs/dbraw/zinc/49/61/37/1173496137.db2.gz ZCOFZSLPXYUQDS-OAHLLOKOSA-N 1 3 307.442 0.434 20 0 DCADHO [NH3+][C@H]1CCOC2(CC(C(=O)Nc3cnc4c(c3)CNCC4)C2)C1 ZINC001650342163 1173581292 /nfs/dbraw/zinc/58/12/92/1173581292.db2.gz ZRLKMMOSPHJANO-JZLYGMAVSA-N 1 3 316.405 0.952 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[NH2+]CCN3C)C2)cc1 ZINC001650379385 1173602892 /nfs/dbraw/zinc/60/28/92/1173602892.db2.gz NTGOKDOGTXXBAO-DLBZAZTESA-N 1 3 316.449 0.589 20 0 DCADHO C[C@H](C(=O)N1NC(=O)CC12CC[NH2+]CC2)[C@H](N)c1ccccc1 ZINC001650396161 1173616403 /nfs/dbraw/zinc/61/64/03/1173616403.db2.gz METUUCOHWOPMOZ-WFASDCNBSA-N 1 3 316.405 0.708 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4n(n3)CCC[C@@H]4N)[C@H]2C1 ZINC001650436755 1173640422 /nfs/dbraw/zinc/64/04/22/1173640422.db2.gz ISLGBNKTWBXUND-CYDGBPFRSA-N 1 3 303.410 0.747 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4n(n3)CCC[C@@H]4N)[C@H]2C1 ZINC001650436755 1173640425 /nfs/dbraw/zinc/64/04/25/1173640425.db2.gz ISLGBNKTWBXUND-CYDGBPFRSA-N 1 3 303.410 0.747 20 0 DCADHO [NH3+]CCN(CC(=O)N1CCN2CC[C@H]1C2)Cc1ccccc1 ZINC001650443466 1173643127 /nfs/dbraw/zinc/64/31/27/1173643127.db2.gz YPUSPIIPZMQOAT-INIZCTEOSA-N 1 3 302.422 0.364 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001656639880 1173872323 /nfs/dbraw/zinc/87/23/23/1173872323.db2.gz RGADEYBVSGXADD-HNNXBMFYSA-N 1 3 323.441 0.884 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+](CC)[C@H]1CCN(C)C1=O)N(C)C ZINC001660614203 1174025060 /nfs/dbraw/zinc/02/50/60/1174025060.db2.gz QQQNWNOUFNAVLD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+](CC)[C@H]1CCN(C)C1=O)N(C)C ZINC001660614203 1174025064 /nfs/dbraw/zinc/02/50/64/1174025064.db2.gz QQQNWNOUFNAVLD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663938329 1174373262 /nfs/dbraw/zinc/37/32/62/1174373262.db2.gz VQBJCADKZJTAFH-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001667034722 1174657161 /nfs/dbraw/zinc/65/71/61/1174657161.db2.gz YVMFJAGPNOHKGU-ZIAGYGMSSA-N 1 3 310.446 0.301 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001669118573 1174895562 /nfs/dbraw/zinc/89/55/62/1174895562.db2.gz OASIUKWLTLVEPF-IYKSTZQJSA-N 1 3 324.469 0.633 20 0 DCADHO CN(CCC[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1CCCN1C ZINC001670042067 1174975206 /nfs/dbraw/zinc/97/52/06/1174975206.db2.gz RFCNHADKXURHDV-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCNC(=O)C1CC1 ZINC001676424303 1175445123 /nfs/dbraw/zinc/44/51/23/1175445123.db2.gz OVVVDLSEZVEXAS-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)CN(C)C1CCC1)[NH+](C)C ZINC001686707546 1176197684 /nfs/dbraw/zinc/19/76/84/1176197684.db2.gz AVQUEZSSPLOEQI-HNNXBMFYSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)C12CCC[NH+]1CCC2 ZINC001686781623 1176223061 /nfs/dbraw/zinc/22/30/61/1176223061.db2.gz XAVXWLMWNPXVDI-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)C(=O)N(C)C ZINC001689968898 1177130072 /nfs/dbraw/zinc/13/00/72/1177130072.db2.gz CPSRRQKWVHILSU-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)C(=O)N(C)C ZINC001689968898 1177130074 /nfs/dbraw/zinc/13/00/74/1177130074.db2.gz CPSRRQKWVHILSU-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001690737883 1177314615 /nfs/dbraw/zinc/31/46/15/1177314615.db2.gz ADRTXUARLNGKQS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC[N@@H+]1C ZINC001690897349 1177344396 /nfs/dbraw/zinc/34/43/96/1177344396.db2.gz TVNOCILWMYEZCU-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC[N@H+]1C ZINC001690897349 1177344400 /nfs/dbraw/zinc/34/44/00/1177344400.db2.gz TVNOCILWMYEZCU-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCn1cncn1 ZINC001698747234 1177629330 /nfs/dbraw/zinc/62/93/30/1177629330.db2.gz BMQFGTJENXXFPD-CABCVRRESA-N 1 3 322.457 0.493 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699181696 1177919952 /nfs/dbraw/zinc/91/99/52/1177919952.db2.gz MZRKQAHHKFANCO-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001699280196 1178024487 /nfs/dbraw/zinc/02/44/87/1178024487.db2.gz RRMDBCJMVSZYDR-SCOBNMCVSA-N 1 3 308.426 0.011 20 0 DCADHO C[C@H](C[NH2+]CCCN1CCCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001699380534 1178111564 /nfs/dbraw/zinc/11/15/64/1178111564.db2.gz QIGSDDGTDMOIRU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCC[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCCCN1C ZINC001699517970 1178178962 /nfs/dbraw/zinc/17/89/62/1178178962.db2.gz AQQAZPJQSIQDPM-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO COCCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001700846651 1178776533 /nfs/dbraw/zinc/77/65/33/1178776533.db2.gz IHQBPZCWYRSAKI-OCCSQVGLSA-N 1 3 310.398 0.194 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNCCF)[NH+]1CCCCC1 ZINC001700977999 1178857458 /nfs/dbraw/zinc/85/74/58/1178857458.db2.gz MKOPBCHNZRDVQE-LSDHHAIUSA-N 1 3 317.449 0.875 20 0 DCADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1CC[NH2+]CC(N)=O ZINC001707131313 1180420762 /nfs/dbraw/zinc/42/07/62/1180420762.db2.gz FAFNKTPQDXEHGS-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCCN1CCCC1=O ZINC001713315444 1180762909 /nfs/dbraw/zinc/76/29/09/1180762909.db2.gz WJWPDBAFIKGQNN-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001713364896 1180787257 /nfs/dbraw/zinc/78/72/57/1180787257.db2.gz YXXJVWHKPRYLJA-OAHLLOKOSA-N 1 3 319.453 0.497 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713592004 1180950598 /nfs/dbraw/zinc/95/05/98/1180950598.db2.gz GCISHDDWYGSNAJ-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001713630488 1180978595 /nfs/dbraw/zinc/97/85/95/1180978595.db2.gz UABKNWNTBWFRNI-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001713655021 1180999928 /nfs/dbraw/zinc/99/99/28/1180999928.db2.gz OWCVGZRVPHNKGF-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1cc(CC[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001714342128 1181328164 /nfs/dbraw/zinc/32/81/64/1181328164.db2.gz CKAVKVQRJKIGCA-HZPDHXFCSA-N 1 3 319.453 0.495 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001714702923 1181490619 /nfs/dbraw/zinc/49/06/19/1181490619.db2.gz BQIMYKYFKTZVFR-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001714702923 1181490620 /nfs/dbraw/zinc/49/06/20/1181490620.db2.gz BQIMYKYFKTZVFR-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714724490 1181507738 /nfs/dbraw/zinc/50/77/38/1181507738.db2.gz OWTLDQWTPWVYND-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001714724490 1181507746 /nfs/dbraw/zinc/50/77/46/1181507746.db2.gz OWTLDQWTPWVYND-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001714747594 1181521908 /nfs/dbraw/zinc/52/19/08/1181521908.db2.gz FJLHGSYFROLXHR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](F)CNCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001714775492 1181538899 /nfs/dbraw/zinc/53/88/99/1181538899.db2.gz VGQYBRRDQQWPAK-CYBMUJFWSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)CN1CCC(C)CC1 ZINC001714799165 1181553597 /nfs/dbraw/zinc/55/35/97/1181553597.db2.gz NJXPXZITJKEOPN-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCC=C(Cl)Cl)CC1 ZINC001715603826 1181890888 /nfs/dbraw/zinc/89/08/88/1181890888.db2.gz KZQDAFBELAILRA-NSHDSACASA-N 1 3 324.252 0.714 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001715911631 1182097176 /nfs/dbraw/zinc/09/71/76/1182097176.db2.gz IVDRUHLJBGGCFV-ZFDPJTLLSA-N 1 3 318.421 0.498 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC001716237776 1182270476 /nfs/dbraw/zinc/27/04/76/1182270476.db2.gz MZCYLQDVFBVTAT-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716395662 1182373407 /nfs/dbraw/zinc/37/34/07/1182373407.db2.gz PVXGNBNKVNUWHD-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716395662 1182373412 /nfs/dbraw/zinc/37/34/12/1182373412.db2.gz PVXGNBNKVNUWHD-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001716546003 1182435750 /nfs/dbraw/zinc/43/57/50/1182435750.db2.gz DMOLQXYMVJVBMU-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C)CC[NH+](CCOCCO)CC1 ZINC001716799082 1182528314 /nfs/dbraw/zinc/52/83/14/1182528314.db2.gz OJFXSJCRSAPUPQ-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](CCNCc2cnns2)C1 ZINC001717096810 1182675448 /nfs/dbraw/zinc/67/54/48/1182675448.db2.gz LCQBYXDPQQTONL-GFCCVEGCSA-N 1 3 311.455 0.818 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCOCC(F)F)CN1C(=O)Cc1c[nH]cn1 ZINC001717823777 1183018321 /nfs/dbraw/zinc/01/83/21/1183018321.db2.gz JWWVEWULIZOBNR-CMPLNLGQSA-N 1 3 316.352 0.813 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001721364993 1183913845 /nfs/dbraw/zinc/91/38/45/1183913845.db2.gz DNEJTTBVEVXCTJ-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001723124705 1184264389 /nfs/dbraw/zinc/26/43/89/1184264389.db2.gz XFHYUCZQNWCKSF-LBPRGKRZSA-N 1 3 300.447 0.276 20 0 DCADHO CN(CC(=O)N(C)CCC[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001723122274 1184264406 /nfs/dbraw/zinc/26/44/06/1184264406.db2.gz HQEIBZIXBGMJLH-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001723124129 1184265254 /nfs/dbraw/zinc/26/52/54/1184265254.db2.gz USQNRRKFJMKNGF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@H](C)N1CCCCCC1 ZINC001724682222 1184517872 /nfs/dbraw/zinc/51/78/72/1184517872.db2.gz SPUMJADMCLTQIK-CABCVRRESA-N 1 3 315.458 0.042 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC/C=C\Cl)C1 ZINC001724824154 1184577241 /nfs/dbraw/zinc/57/72/41/1184577241.db2.gz SMUIKUNPBKXOQT-AGLBCWCQSA-N 1 3 303.834 0.898 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]CCCO)[C@@H]2C1 ZINC001725621545 1184915797 /nfs/dbraw/zinc/91/57/97/1184915797.db2.gz KTJKBKXPXBXKHG-CFVMTHIKSA-N 1 3 306.410 0.551 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC/C=C/Cl)CC[N@@H+]1C ZINC001725695164 1184947824 /nfs/dbraw/zinc/94/78/24/1184947824.db2.gz LFNHEAMDKHSHIW-BXDLYYKMSA-N 1 3 303.834 0.488 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC/C=C/Cl)CC[N@H+]1C ZINC001725695164 1184947828 /nfs/dbraw/zinc/94/78/28/1184947828.db2.gz LFNHEAMDKHSHIW-BXDLYYKMSA-N 1 3 303.834 0.488 20 0 DCADHO CNC(=O)CN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001732008490 1185632842 /nfs/dbraw/zinc/63/28/42/1185632842.db2.gz NDWRUZGGMNEFCA-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001732728700 1185939247 /nfs/dbraw/zinc/93/92/47/1185939247.db2.gz LDWWEBNTJMLDML-CHWSQXEVSA-N 1 3 308.430 0.141 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCNCC(=O)N(C)C ZINC001732775162 1185962149 /nfs/dbraw/zinc/96/21/49/1185962149.db2.gz LZUVIOJWABPBSC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCNCC(=O)N(C)C ZINC001732775162 1185962151 /nfs/dbraw/zinc/96/21/51/1185962151.db2.gz LZUVIOJWABPBSC-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001732850460 1186012855 /nfs/dbraw/zinc/01/28/55/1186012855.db2.gz IZHDQAURIAWCQN-NHQLZKDQSA-N 1 3 324.469 0.598 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001732850460 1186012859 /nfs/dbraw/zinc/01/28/59/1186012859.db2.gz IZHDQAURIAWCQN-NHQLZKDQSA-N 1 3 324.469 0.598 20 0 DCADHO CN(CCC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)Cc1c[nH]cn1 ZINC001733127941 1186153160 /nfs/dbraw/zinc/15/31/60/1186153160.db2.gz AIWIQPPFGSFXAX-UHFFFAOYSA-N 1 3 317.393 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(CC[NH2+]CCO)Cc2ccccc2)C1 ZINC001733572977 1186336755 /nfs/dbraw/zinc/33/67/55/1186336755.db2.gz RYTHQBWGWIAANM-MRXNPFEDSA-N 1 3 319.449 0.939 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001742510821 1187997811 /nfs/dbraw/zinc/99/78/11/1187997811.db2.gz ZVODZAXQYQWJOB-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001752010248 1188377377 /nfs/dbraw/zinc/37/73/77/1188377377.db2.gz YJMGBBPQIDEXAF-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C1CCC1)[C@@H]1CCCNC1=O ZINC001752190989 1188400557 /nfs/dbraw/zinc/40/05/57/1188400557.db2.gz YORDCPWVODALGY-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)[C@@H]1CCCNC1=O ZINC001752190989 1188400558 /nfs/dbraw/zinc/40/05/58/1188400558.db2.gz YORDCPWVODALGY-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cnn(C)c2)CC[N@@H+]1C ZINC001753190613 1188529628 /nfs/dbraw/zinc/52/96/28/1188529628.db2.gz HBYQFLIFKURTBQ-LSDHHAIUSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2cnn(C)c2)CC[N@H+]1C ZINC001753190613 1188529630 /nfs/dbraw/zinc/52/96/30/1188529630.db2.gz HBYQFLIFKURTBQ-LSDHHAIUSA-N 1 3 307.442 0.698 20 0 DCADHO O=C(NC[C@H](O)CNC/C=C\Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC001753910907 1188678934 /nfs/dbraw/zinc/67/89/34/1188678934.db2.gz GLHAVUKBPBTJME-CXHVCXGMSA-N 1 3 301.818 0.147 20 0 DCADHO CN(CCC[NH2+]CCN1CCCC1=O)C(=O)Cc1c[nH]cn1 ZINC001754398917 1188844728 /nfs/dbraw/zinc/84/47/28/1188844728.db2.gz YNSAIHCLXBQZDV-UHFFFAOYSA-N 1 3 307.398 0.013 20 0 DCADHO COc1nccc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001754413020 1188849488 /nfs/dbraw/zinc/84/94/88/1188849488.db2.gz CSWFQIICMONHJA-CYBMUJFWSA-N 1 3 321.425 0.375 20 0 DCADHO COc1nccc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001754413020 1188849495 /nfs/dbraw/zinc/84/94/95/1188849495.db2.gz CSWFQIICMONHJA-CYBMUJFWSA-N 1 3 321.425 0.375 20 0 DCADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCOCCO ZINC001754467429 1188858200 /nfs/dbraw/zinc/85/82/00/1188858200.db2.gz NMMVKUYLQXBMLZ-UKRRQHHQSA-N 1 3 324.425 0.178 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001754824506 1188942374 /nfs/dbraw/zinc/94/23/74/1188942374.db2.gz CBAYABMJWAHABV-HOTGVXAUSA-N 1 3 321.469 0.909 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CC[C@H]2CCCO2)C1 ZINC001755008708 1188994598 /nfs/dbraw/zinc/99/45/98/1188994598.db2.gz CEYAMCNYPUVTHJ-HUUCEWRRSA-N 1 3 322.409 0.338 20 0 DCADHO CN(C[C@H](O)C[NH2+]CC[C@@H]1CCCCO1)C(=O)Cc1c[nH]cn1 ZINC001755789317 1189214014 /nfs/dbraw/zinc/21/40/14/1189214014.db2.gz LCYZHVWRJOSTJN-CABCVRRESA-N 1 3 324.425 0.320 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)CCCC[NH+](C)C)C1)C1CCC1 ZINC001759212363 1190124314 /nfs/dbraw/zinc/12/43/14/1190124314.db2.gz ZBSPPZLBQAZIQO-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc[nH]n3)CC2)CC1 ZINC001771612343 1190450577 /nfs/dbraw/zinc/45/05/77/1190450577.db2.gz QCMSIBREIVZRCK-UHFFFAOYSA-N 1 3 305.426 0.627 20 0 DCADHO CC(=O)N1CCC(NC(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001771750593 1190488526 /nfs/dbraw/zinc/48/85/26/1190488526.db2.gz PBBBOXOFTTZNAN-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC001772063037 1190601880 /nfs/dbraw/zinc/60/18/80/1190601880.db2.gz IULBHQSDDAEMAG-ZDUSSCGKSA-N 1 3 311.474 0.391 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001772071060 1190603788 /nfs/dbraw/zinc/60/37/88/1190603788.db2.gz CYJRJJOORWAFKD-CAOSSQGBSA-N 1 3 300.406 0.893 20 0 DCADHO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCNC[C@@H]1CO ZINC001772263905 1190647501 /nfs/dbraw/zinc/64/75/01/1190647501.db2.gz PRKHCAKLCFSJJY-CYBMUJFWSA-N 1 3 307.394 0.672 20 0 DCADHO O=C(CCC12CC(C1)C[NH2+]2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001772315733 1190661145 /nfs/dbraw/zinc/66/11/45/1190661145.db2.gz JVJVZFRJPGBSHF-KRIMKBQASA-N 1 3 307.438 0.576 20 0 DCADHO c1cnc(N2CCN3CC[NH2+]C[C@H]3C2)c(CN2CCCC2)c1 ZINC001164399976 718843406 /nfs/dbraw/zinc/84/34/06/718843406.db2.gz MMFSYQCAENWUFK-INIZCTEOSA-N 1 3 301.438 0.771 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1CNC2 ZINC001164928540 721856961 /nfs/dbraw/zinc/85/69/61/721856961.db2.gz OEJRHWSZORUJRG-LSDHHAIUSA-N 1 3 302.426 0.294 20 0 DCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1CNC2 ZINC001164928540 721856962 /nfs/dbraw/zinc/85/69/62/721856962.db2.gz OEJRHWSZORUJRG-LSDHHAIUSA-N 1 3 302.426 0.294 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C1(F)CC[NH2+]CC1 ZINC001578416987 1165008030 /nfs/dbraw/zinc/00/80/30/1165008030.db2.gz JIGUKRVBIOIWNK-CYBMUJFWSA-N 1 3 301.406 0.647 20 0 DCADHO CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127479651 751413990 /nfs/dbraw/zinc/41/39/90/751413990.db2.gz DHJGFJPZVWWTTQ-CQSZACIVSA-N 1 3 324.469 0.196 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(CC)C2=O)CC[N@@H+]1C ZINC001127701660 751645916 /nfs/dbraw/zinc/64/59/16/751645916.db2.gz UINBZNOPDPRBJA-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCN(CC)C2=O)CC[N@H+]1C ZINC001127701660 751645918 /nfs/dbraw/zinc/64/59/18/751645918.db2.gz UINBZNOPDPRBJA-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001107039004 751785259 /nfs/dbraw/zinc/78/52/59/751785259.db2.gz KXCIXOBTBBCOQN-ZIAGYGMSSA-N 1 3 312.458 0.099 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209484360 747002987 /nfs/dbraw/zinc/00/29/87/747002987.db2.gz HJSLEOWSGPRIFL-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232361 747031149 /nfs/dbraw/zinc/03/11/49/747031149.db2.gz ACDGQTYZXHFXGY-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001167236304 747033406 /nfs/dbraw/zinc/03/34/06/747033406.db2.gz JZBDISFTOYOYRQ-UHFFFAOYSA-N 1 3 310.442 0.080 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCCO ZINC001104287403 747096570 /nfs/dbraw/zinc/09/65/70/747096570.db2.gz FODLVDJBAWGGQH-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CCOC(=O)[C@H]1CNCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001211354857 747199897 /nfs/dbraw/zinc/19/98/97/747199897.db2.gz RWTQTSALIFURDT-MRXNPFEDSA-N 1 3 303.406 0.669 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001167480716 747277931 /nfs/dbraw/zinc/27/79/31/747277931.db2.gz RYWCLPNJDOBIPL-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO O=C(N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249672 747425058 /nfs/dbraw/zinc/42/50/58/747425058.db2.gz QYUCLVJKYXCXIA-LSDHHAIUSA-N 1 3 305.422 0.404 20 0 DCADHO CC1(C)[C@H](NC(=O)C[NH+]2CCCC2)[C@H]2CCCN(CC(N)=O)[C@H]21 ZINC001087317506 747651357 /nfs/dbraw/zinc/65/13/57/747651357.db2.gz JGGAFTFEJKBQAW-DAXOMENPSA-N 1 3 322.453 0.173 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001167835617 748409887 /nfs/dbraw/zinc/40/98/87/748409887.db2.gz JSYTWGPYEPESAR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001105357659 748429929 /nfs/dbraw/zinc/42/99/29/748429929.db2.gz ILDNBLAVVJIRTJ-UHFFFAOYSA-N 1 3 308.430 0.503 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001105357659 748429933 /nfs/dbraw/zinc/42/99/33/748429933.db2.gz ILDNBLAVVJIRTJ-UHFFFAOYSA-N 1 3 308.430 0.503 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002584 749185476 /nfs/dbraw/zinc/18/54/76/749185476.db2.gz LGGNIGJTHNAGSO-PMPSAXMXSA-N 1 3 311.470 0.999 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002584 749185479 /nfs/dbraw/zinc/18/54/79/749185479.db2.gz LGGNIGJTHNAGSO-PMPSAXMXSA-N 1 3 311.470 0.999 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088323828 749368466 /nfs/dbraw/zinc/36/84/66/749368466.db2.gz ZUTGHMVBQHBTNK-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001088323828 749368473 /nfs/dbraw/zinc/36/84/73/749368473.db2.gz ZUTGHMVBQHBTNK-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088382665 749412709 /nfs/dbraw/zinc/41/27/09/749412709.db2.gz ISQYZRFTHZMRMS-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2)CC(C)(C)C ZINC001203427478 749554002 /nfs/dbraw/zinc/55/40/02/749554002.db2.gz UGRHRRZCJVBVCY-UONOGXRCSA-N 1 3 311.470 0.974 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2)CC(C)(C)C ZINC001203427470 749554070 /nfs/dbraw/zinc/55/40/70/749554070.db2.gz UGRHRRZCJVBVCY-KBPBESRZSA-N 1 3 311.470 0.974 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001101035893 749980956 /nfs/dbraw/zinc/98/09/56/749980956.db2.gz DDKHGDDVBAFXHP-HSBZDZAISA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077208354 750268334 /nfs/dbraw/zinc/26/83/34/750268334.db2.gz CZJJQKDNZUMZGK-HUUCEWRRSA-N 1 3 309.454 0.680 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001046073759 750878327 /nfs/dbraw/zinc/87/83/27/750878327.db2.gz LTLUCQGZEDEJLX-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001046073759 750878338 /nfs/dbraw/zinc/87/83/38/750878338.db2.gz LTLUCQGZEDEJLX-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255351 750936527 /nfs/dbraw/zinc/93/65/27/750936527.db2.gz IVPCHDIKBQIATJ-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255351 750936531 /nfs/dbraw/zinc/93/65/31/750936531.db2.gz IVPCHDIKBQIATJ-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001127343884 751156506 /nfs/dbraw/zinc/15/65/06/751156506.db2.gz CKUQSSCCZDQGKY-UKRRQHHQSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001127343884 751156508 /nfs/dbraw/zinc/15/65/08/751156508.db2.gz CKUQSSCCZDQGKY-UKRRQHHQSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001106779403 751276052 /nfs/dbraw/zinc/27/60/52/751276052.db2.gz NFMFCFZQEDETEN-ZIAGYGMSSA-N 1 3 312.458 0.101 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C)C(N)=O ZINC001106798834 751285212 /nfs/dbraw/zinc/28/52/12/751285212.db2.gz YVHQFPDYLKSETQ-QLFBSQMISA-N 1 3 324.469 0.276 20 0 DCADHO COCCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816851 752359730 /nfs/dbraw/zinc/35/97/30/752359730.db2.gz IXPTVZWSDJBDAV-ZBFHGGJFSA-N 1 3 313.442 0.324 20 0 DCADHO COCCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107816851 752359734 /nfs/dbraw/zinc/35/97/34/752359734.db2.gz IXPTVZWSDJBDAV-ZBFHGGJFSA-N 1 3 313.442 0.324 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001168596559 752671556 /nfs/dbraw/zinc/67/15/56/752671556.db2.gz YKFQMRZHQHLSPX-OAHLLOKOSA-N 1 3 317.474 0.602 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749441 752858340 /nfs/dbraw/zinc/85/83/40/752858340.db2.gz KEUGAEONKRLXEH-JSGCOSHPSA-N 1 3 316.409 0.855 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnn(C)c2)CCC1 ZINC001045067242 753030038 /nfs/dbraw/zinc/03/00/38/753030038.db2.gz NVADPFJSGPVOMF-HNNXBMFYSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001045149220 753061314 /nfs/dbraw/zinc/06/13/14/753061314.db2.gz WAXWYLFLKLYHRK-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046036073 753439211 /nfs/dbraw/zinc/43/92/11/753439211.db2.gz ZEOPNWLCJYYAKE-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001046036073 753439215 /nfs/dbraw/zinc/43/92/15/753439215.db2.gz ZEOPNWLCJYYAKE-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046061458 753456111 /nfs/dbraw/zinc/45/61/11/753456111.db2.gz MFWXLZFUFQPPRQ-HZPDHXFCSA-N 1 3 310.486 0.811 20 0 DCADHO CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001046061458 753456115 /nfs/dbraw/zinc/45/61/15/753456115.db2.gz MFWXLZFUFQPPRQ-HZPDHXFCSA-N 1 3 310.486 0.811 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066627 753460422 /nfs/dbraw/zinc/46/04/22/753460422.db2.gz OFEMPGJIZURNFQ-INIZCTEOSA-N 1 3 319.453 0.827 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066627 753460425 /nfs/dbraw/zinc/46/04/25/753460425.db2.gz OFEMPGJIZURNFQ-INIZCTEOSA-N 1 3 319.453 0.827 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001046891383 754003708 /nfs/dbraw/zinc/00/37/08/754003708.db2.gz IIGNNELQCIJPRU-BBRMVZONSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001046895693 754006486 /nfs/dbraw/zinc/00/64/86/754006486.db2.gz ZPEAEUQMAOWISJ-PBHICJAKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CN(Cc2ccccc2)C[C@@H]1O ZINC001047324197 754188241 /nfs/dbraw/zinc/18/82/41/754188241.db2.gz LIHXGDYXHLAJNX-ULQDDVLXSA-N 1 3 317.433 0.784 20 0 DCADHO CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccccc2)C[C@@H]1O ZINC001047324197 754188243 /nfs/dbraw/zinc/18/82/43/754188243.db2.gz LIHXGDYXHLAJNX-ULQDDVLXSA-N 1 3 317.433 0.784 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1c(C)nnn1CC ZINC001168756417 754443656 /nfs/dbraw/zinc/44/36/56/754443656.db2.gz YJLROODSCJBJGR-UHFFFAOYSA-N 1 3 310.446 0.544 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC001048390904 754735119 /nfs/dbraw/zinc/73/51/19/754735119.db2.gz DTCGEWFEAVAONZ-STQMWFEESA-N 1 3 316.409 0.570 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001048473987 754767748 /nfs/dbraw/zinc/76/77/48/754767748.db2.gz FMNGWEFOWPJOOM-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001048475844 754768397 /nfs/dbraw/zinc/76/83/97/754768397.db2.gz OBMMVMGVWJWFMW-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864474 754985962 /nfs/dbraw/zinc/98/59/62/754985962.db2.gz GZLJACZBUVIPRE-KFWWJZLASA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864474 754985966 /nfs/dbraw/zinc/98/59/66/754985966.db2.gz GZLJACZBUVIPRE-KFWWJZLASA-N 1 3 309.454 0.896 20 0 DCADHO Cc1ncoc1CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049214552 755184969 /nfs/dbraw/zinc/18/49/69/755184969.db2.gz MZXZBAGBZDYLCQ-SOUVJXGZSA-N 1 3 318.421 0.825 20 0 DCADHO Cc1ncoc1CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049214552 755184971 /nfs/dbraw/zinc/18/49/71/755184971.db2.gz MZXZBAGBZDYLCQ-SOUVJXGZSA-N 1 3 318.421 0.825 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763704 755215133 /nfs/dbraw/zinc/21/51/33/755215133.db2.gz RREUFBUTCJCHRY-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO O=C(N1CCC[C@H]2[C@H]1CCN2CCO)C12CCC[NH+]1CCC2 ZINC001049569258 755318540 /nfs/dbraw/zinc/31/85/40/755318540.db2.gz XVGUOKIFHSKHAH-LSDHHAIUSA-N 1 3 307.438 0.672 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1)N(C)C ZINC001064364910 755388554 /nfs/dbraw/zinc/38/85/54/755388554.db2.gz LERONKSORPBWDR-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001053038645 755904488 /nfs/dbraw/zinc/90/44/88/755904488.db2.gz JUFDHCJRAWFZOK-CABCVRRESA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001053038645 755904491 /nfs/dbraw/zinc/90/44/91/755904491.db2.gz JUFDHCJRAWFZOK-CABCVRRESA-N 1 3 320.437 0.895 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC001054734522 756620929 /nfs/dbraw/zinc/62/09/29/756620929.db2.gz FYWLUIXOWMWZNZ-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(N)=O ZINC001082559557 757186398 /nfs/dbraw/zinc/18/63/98/757186398.db2.gz JFDKQYCEVLAUQC-YUELXQCFSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(N)=O ZINC001082559557 757186402 /nfs/dbraw/zinc/18/64/02/757186402.db2.gz JFDKQYCEVLAUQC-YUELXQCFSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082561650 757187417 /nfs/dbraw/zinc/18/74/17/757187417.db2.gz HUVZPQSUWUQJOY-VHDGCEQUSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2cncn2C)C1)[NH+](C)C ZINC001082574952 757194305 /nfs/dbraw/zinc/19/43/05/757194305.db2.gz BVJROZOLGLQPOH-BMFZPTHFSA-N 1 3 321.469 0.943 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001050144235 757421082 /nfs/dbraw/zinc/42/10/82/757421082.db2.gz HEDKGKXUJIOPFP-ZQDZILKHSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001050144235 757421092 /nfs/dbraw/zinc/42/10/92/757421092.db2.gz HEDKGKXUJIOPFP-ZQDZILKHSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085742 757485954 /nfs/dbraw/zinc/48/59/54/757485954.db2.gz JFTQKNSSMJDABK-LVQVYYBASA-N 1 3 309.454 0.894 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085742 757485950 /nfs/dbraw/zinc/48/59/50/757485950.db2.gz JFTQKNSSMJDABK-LVQVYYBASA-N 1 3 309.454 0.894 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085217544 758765196 /nfs/dbraw/zinc/76/51/96/758765196.db2.gz FYLSXBJTQCGNQU-MCIONIFRSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107602 759184144 /nfs/dbraw/zinc/18/41/44/759184144.db2.gz GKPHIIIFDLTFIP-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107602 759184148 /nfs/dbraw/zinc/18/41/48/759184148.db2.gz GKPHIIIFDLTFIP-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732021 759246363 /nfs/dbraw/zinc/24/63/63/759246363.db2.gz PMXIDVISZCYKGC-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732021 759246368 /nfs/dbraw/zinc/24/63/68/759246368.db2.gz PMXIDVISZCYKGC-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001147824722 767853556 /nfs/dbraw/zinc/85/35/56/767853556.db2.gz NBTCSOXGLHSEHI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900287 767879222 /nfs/dbraw/zinc/87/92/22/767879222.db2.gz LMDUBRIYGOBWOW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900287 767879228 /nfs/dbraw/zinc/87/92/28/767879228.db2.gz LMDUBRIYGOBWOW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001147970242 767888847 /nfs/dbraw/zinc/88/88/47/767888847.db2.gz CTHGULCYZJSSIE-UHFFFAOYSA-N 1 3 322.453 0.047 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086186506 759817542 /nfs/dbraw/zinc/81/75/42/759817542.db2.gz BCLVTAZWSQAELE-XBXGTLAGSA-N 1 3 320.441 0.141 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001066496202 760055059 /nfs/dbraw/zinc/05/50/59/760055059.db2.gz FSMCTAKMWAKAJW-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086364600 760106308 /nfs/dbraw/zinc/10/63/08/760106308.db2.gz KJRNIZQBYINGKG-XUXIUFHCSA-N 1 3 310.442 0.217 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086497259 760262705 /nfs/dbraw/zinc/26/27/05/760262705.db2.gz DQRJWTFLHJKCGD-MGPQQGTHSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360039 767972655 /nfs/dbraw/zinc/97/26/55/767972655.db2.gz LDJIJWXAJLTSPT-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CC(=O)N1CCC[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001169631260 760759031 /nfs/dbraw/zinc/75/90/31/760759031.db2.gz BDBVZNDLKTYGMN-GOSISDBHSA-N 1 3 322.497 0.957 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001070276629 761161570 /nfs/dbraw/zinc/16/15/70/761161570.db2.gz RCNJSBPADRCWHK-RDBSUJKOSA-N 1 3 308.430 0.370 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCC(C)C ZINC001148655572 768025278 /nfs/dbraw/zinc/02/52/78/768025278.db2.gz OUJNQCDRIODVHE-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001070689581 761397773 /nfs/dbraw/zinc/39/77/73/761397773.db2.gz FUSHNEXSRZAZRP-RBSFLKMASA-N 1 3 319.453 0.808 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071255931 761747464 /nfs/dbraw/zinc/74/74/64/761747464.db2.gz AGKPMQAQXDVIJF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001129422330 762934995 /nfs/dbraw/zinc/93/49/95/762934995.db2.gz HLQZEYGBPWOMRB-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001129422330 762934998 /nfs/dbraw/zinc/93/49/98/762934998.db2.gz HLQZEYGBPWOMRB-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO COc1coc(CNCCNC(=O)[C@H](C2CC2)[NH+](C)C)cc1=O ZINC001129449607 762938184 /nfs/dbraw/zinc/93/81/84/762938184.db2.gz QEAXXBIKXDPCSR-HNNXBMFYSA-N 1 3 323.393 0.194 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437040 762943338 /nfs/dbraw/zinc/94/33/38/762943338.db2.gz VAJHXENFIKBRON-IUODEOHRSA-N 1 3 312.458 0.193 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCn1cc(Cl)cn1)C1CC1 ZINC001129442710 762944856 /nfs/dbraw/zinc/94/48/56/762944856.db2.gz DGYPNUIDNAUGQT-ZDUSSCGKSA-N 1 3 313.833 0.583 20 0 DCADHO CN(CC(=O)NCC[NH2+]Cc1ccc2nonc2c1)C1CCC1 ZINC001129531597 762953047 /nfs/dbraw/zinc/95/30/47/762953047.db2.gz AUGZTAROYUIHQS-UHFFFAOYSA-N 1 3 317.393 0.913 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1)C1CCC1 ZINC001129535299 762961629 /nfs/dbraw/zinc/96/16/29/762961629.db2.gz NSIIXOGOWYBIQG-HNNXBMFYSA-N 1 3 313.442 0.372 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NCC1CCC1)[NH+](C)C ZINC001129947169 763065831 /nfs/dbraw/zinc/06/58/31/763065831.db2.gz MRARMMADXJNGAW-HNNXBMFYSA-N 1 3 312.458 0.195 20 0 DCADHO CCOCCN1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099893925 763106035 /nfs/dbraw/zinc/10/60/35/763106035.db2.gz BASIMUVAYBGDSE-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099893925 763106038 /nfs/dbraw/zinc/10/60/38/763106038.db2.gz BASIMUVAYBGDSE-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CC2CC(F)(F)C2)C[C@H]1O ZINC001099986790 763188531 /nfs/dbraw/zinc/18/85/31/763188531.db2.gz PLRFNSAQCYOACG-QWHCGFSZSA-N 1 3 319.396 0.535 20 0 DCADHO CN(CCC(=O)NCCNCc1cncn1C)c1cc[nH+]cc1 ZINC001130556330 763381662 /nfs/dbraw/zinc/38/16/62/763381662.db2.gz BJMMUCSRYWWBHZ-UHFFFAOYSA-N 1 3 316.409 0.547 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001100410923 763560593 /nfs/dbraw/zinc/56/05/93/763560593.db2.gz UHADHAHXTRYRFF-UHFFFAOYSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001100678825 763721078 /nfs/dbraw/zinc/72/10/78/763721078.db2.gz YPRABGLRQVYQLH-WLYUNCDWSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100680759 763721172 /nfs/dbraw/zinc/72/11/72/763721172.db2.gz DGRIIMRKVXCHLT-UHFFFAOYSA-N 1 3 312.458 0.195 20 0 DCADHO COC(OC)c1c(C[NH3+])ccnc1N[C@H](C)[C@H]1CNCCO1 ZINC001170562350 763827831 /nfs/dbraw/zinc/82/78/31/763827831.db2.gz ILYJCEPVTNTBJM-ZYHUDNBSSA-N 1 3 310.398 0.621 20 0 DCADHO O=C(NCC[NH2+]Cc1ccccc1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519271 763842781 /nfs/dbraw/zinc/84/27/81/763842781.db2.gz BVRLVLUGYZJSQL-UPTPFMHGSA-N 1 3 315.417 0.756 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001101036632 763931069 /nfs/dbraw/zinc/93/10/69/763931069.db2.gz WNEZNSZCCSGFNA-JXQTWKCFSA-N 1 3 310.442 0.091 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CCCO)C[C@@]3(C)C2)C1 ZINC001092012334 768182243 /nfs/dbraw/zinc/18/22/43/768182243.db2.gz XJHGTFZSNBHOCX-QAPCUYQASA-N 1 3 323.481 0.881 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CCCO)C[C@@]3(C)C2)C1 ZINC001092012334 768182246 /nfs/dbraw/zinc/18/22/46/768182246.db2.gz XJHGTFZSNBHOCX-QAPCUYQASA-N 1 3 323.481 0.881 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131790535 764013724 /nfs/dbraw/zinc/01/37/24/764013724.db2.gz PALMPSDIACXPSM-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(N)=O ZINC001131790877 764014660 /nfs/dbraw/zinc/01/46/60/764014660.db2.gz XISXZHOKEPBZDM-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049359 768190134 /nfs/dbraw/zinc/19/01/34/768190134.db2.gz ARRBYKUOWNBDAZ-IOASZLSFSA-N 1 3 306.410 0.767 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092049359 768190139 /nfs/dbraw/zinc/19/01/39/768190139.db2.gz ARRBYKUOWNBDAZ-IOASZLSFSA-N 1 3 306.410 0.767 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CN1CCOCCO ZINC001132269301 764347706 /nfs/dbraw/zinc/34/77/06/764347706.db2.gz IKTJHVNSVABNRM-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086695483 764668831 /nfs/dbraw/zinc/66/88/31/764668831.db2.gz SLZKUIHEDUSEFW-BFHYXJOUSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132887024 764710755 /nfs/dbraw/zinc/71/07/55/764710755.db2.gz ZIXCSDVHAZVSBD-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132887024 764710759 /nfs/dbraw/zinc/71/07/59/764710759.db2.gz ZIXCSDVHAZVSBD-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nccnc1C[NH2+]CCNC(=O)c1occc1CN(C)C ZINC001132985726 764770749 /nfs/dbraw/zinc/77/07/49/764770749.db2.gz PHGZWCWZKBEEOH-UHFFFAOYSA-N 1 3 317.393 0.959 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992851 764780509 /nfs/dbraw/zinc/78/05/09/764780509.db2.gz GWZDFKCOEVJOJI-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132996973 764784289 /nfs/dbraw/zinc/78/42/89/764784289.db2.gz CERQGFHPVNYRDI-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)CCCC(=O)NCCN[C@H]1CCN(C(C)(C)C)C1=O ZINC001133043331 764799730 /nfs/dbraw/zinc/79/97/30/764799730.db2.gz UFSRWWYQCLHKRR-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102781824 764814901 /nfs/dbraw/zinc/81/49/01/764814901.db2.gz CKOWCVGGMVBBHO-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102781824 764814907 /nfs/dbraw/zinc/81/49/07/764814907.db2.gz CKOWCVGGMVBBHO-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286157 764907127 /nfs/dbraw/zinc/90/71/27/764907127.db2.gz ZPWKJTJPPPLWES-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC1CCCCCC1 ZINC001133290771 764908717 /nfs/dbraw/zinc/90/87/17/764908717.db2.gz BCZHTGRSIDAFHN-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO C[NH+](C)CCC(=O)NCCN[C@H]1CCc2ccccc2NC1=O ZINC001133296880 764919225 /nfs/dbraw/zinc/91/92/25/764919225.db2.gz CVQTYDASMYEIRC-HNNXBMFYSA-N 1 3 318.421 0.597 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001092301780 768260669 /nfs/dbraw/zinc/26/06/69/768260669.db2.gz MXDQRPFRDCIHGX-INMHGKMJSA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001092301780 768260671 /nfs/dbraw/zinc/26/06/71/768260671.db2.gz MXDQRPFRDCIHGX-INMHGKMJSA-N 1 3 309.454 0.633 20 0 DCADHO Cc1nc(CN2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001103398254 765049285 /nfs/dbraw/zinc/04/92/85/765049285.db2.gz JUFQVTLAGBPXSK-TZMCWYRMSA-N 1 3 322.457 0.639 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436033 765054503 /nfs/dbraw/zinc/05/45/03/765054503.db2.gz IBMSYVXKQAZNBH-RBSFLKMASA-N 1 3 324.469 0.148 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103436033 765054508 /nfs/dbraw/zinc/05/45/08/765054508.db2.gz IBMSYVXKQAZNBH-RBSFLKMASA-N 1 3 324.469 0.148 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 ZINC001133819428 765149546 /nfs/dbraw/zinc/14/95/46/765149546.db2.gz BVXYAVUCPINFNB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCC[C@@H](C)C1 ZINC001133819428 765149551 /nfs/dbraw/zinc/14/95/51/765149551.db2.gz BVXYAVUCPINFNB-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)CN2CCC[C@H]2C)n1 ZINC001133823425 765152325 /nfs/dbraw/zinc/15/23/25/765152325.db2.gz GDLZZQHFDXOUIT-CQSZACIVSA-N 1 3 307.442 0.690 20 0 DCADHO COc1ncc(CNCCNC(=O)C[N@@H+]2CCC[C@H]2C)c(C)n1 ZINC001133833873 765163723 /nfs/dbraw/zinc/16/37/23/765163723.db2.gz IKKVCMLDWBXRME-GFCCVEGCSA-N 1 3 321.425 0.484 20 0 DCADHO COc1ncc(CNCCNC(=O)C[N@H+]2CCC[C@H]2C)c(C)n1 ZINC001133833873 765163725 /nfs/dbraw/zinc/16/37/25/765163725.db2.gz IKKVCMLDWBXRME-GFCCVEGCSA-N 1 3 321.425 0.484 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849614 765181733 /nfs/dbraw/zinc/18/17/33/765181733.db2.gz APOGCQOZVWVNPA-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849614 765181740 /nfs/dbraw/zinc/18/17/40/765181740.db2.gz APOGCQOZVWVNPA-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@H]2C[C@]23CCOC3)C1 ZINC001133896079 765213672 /nfs/dbraw/zinc/21/36/72/765213672.db2.gz CAKLSNBJRPNXCW-PBHICJAKSA-N 1 3 309.454 0.851 20 0 DCADHO CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1nccn12 ZINC001092377765 768283142 /nfs/dbraw/zinc/28/31/42/768283142.db2.gz BUXSFLOFFHLQCT-UONOGXRCSA-N 1 3 317.437 0.959 20 0 DCADHO CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1nccn12 ZINC001092377765 768283143 /nfs/dbraw/zinc/28/31/43/768283143.db2.gz BUXSFLOFFHLQCT-UONOGXRCSA-N 1 3 317.437 0.959 20 0 DCADHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC001111864604 765410910 /nfs/dbraw/zinc/41/09/10/765410910.db2.gz XZKXKPFAYRTCDR-HOCLYGCPSA-N 1 3 320.441 0.201 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCOCCO ZINC001134583085 765579598 /nfs/dbraw/zinc/57/95/98/765579598.db2.gz FLFDGOUREBXSOE-KGLIPLIRSA-N 1 3 315.458 0.353 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C ZINC001134612944 765590053 /nfs/dbraw/zinc/59/00/53/765590053.db2.gz RBVOKWLGKAWQTB-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001134774441 765666330 /nfs/dbraw/zinc/66/63/30/765666330.db2.gz YKKFCTFEXOOOFX-KBPBESRZSA-N 1 3 317.474 0.599 20 0 DCADHO C[C@H](C(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCCCC1 ZINC001134757394 765669035 /nfs/dbraw/zinc/66/90/35/765669035.db2.gz OQLMABKDPWIZHL-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001115304666 765684678 /nfs/dbraw/zinc/68/46/78/765684678.db2.gz UCJIUJABESSYLZ-LJIGWXMPSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001115304666 765684686 /nfs/dbraw/zinc/68/46/86/765684686.db2.gz UCJIUJABESSYLZ-LJIGWXMPSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866492 768315634 /nfs/dbraw/zinc/31/56/34/768315634.db2.gz DPGLJEMWPWPZIZ-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO OC[C@@H]1C[NH2+]C[C@H]1Nc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001170780884 765734356 /nfs/dbraw/zinc/73/43/56/765734356.db2.gz IMUDZRFGKHIOBN-NUEKZKHPSA-N 1 3 316.405 0.592 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CCCCC1)C1CC1 ZINC001115573385 765760432 /nfs/dbraw/zinc/76/04/32/765760432.db2.gz PMFDZICMWRRYKH-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO CCNC(=O)CNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135341008 765889261 /nfs/dbraw/zinc/88/92/61/765889261.db2.gz NLTMEDISKDBXRA-UHFFFAOYSA-N 1 3 306.410 0.204 20 0 DCADHO COc1nccc(CN[C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001135371640 765907279 /nfs/dbraw/zinc/90/72/79/765907279.db2.gz HCIXBVQVCOANCX-QWHCGFSZSA-N 1 3 323.441 0.810 20 0 DCADHO COc1cncc(CN[C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001135371737 765907552 /nfs/dbraw/zinc/90/75/52/765907552.db2.gz ILAJWCNVFWHOPG-STQMWFEESA-N 1 3 323.441 0.810 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(=O)N(C)C)C(C)C ZINC001135474045 765943578 /nfs/dbraw/zinc/94/35/78/765943578.db2.gz FMJKMHMAEGNKSS-AWEZNQCLSA-N 1 3 300.447 0.147 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC001135669688 766031890 /nfs/dbraw/zinc/03/18/90/766031890.db2.gz BLOXYCSVHHYXSD-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC001135669688 766031892 /nfs/dbraw/zinc/03/18/92/766031892.db2.gz BLOXYCSVHHYXSD-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC=CCC1 ZINC001117406963 766049072 /nfs/dbraw/zinc/04/90/72/766049072.db2.gz GFVPVJXAJFVSPS-AWEZNQCLSA-N 1 3 310.442 0.163 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743610 766085213 /nfs/dbraw/zinc/08/52/13/766085213.db2.gz MXJTVFPYGIYNIH-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001135743468 766085166 /nfs/dbraw/zinc/08/51/66/766085166.db2.gz LCAZIMZDMVWCKY-KGLIPLIRSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NCc1ccn(C)n1 ZINC001135938590 766177375 /nfs/dbraw/zinc/17/73/75/766177375.db2.gz LULJZSLKJNOALF-KBPBESRZSA-N 1 3 319.453 0.889 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001135975937 766197863 /nfs/dbraw/zinc/19/78/63/766197863.db2.gz FNGSUECASCPGJI-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001135977552 766197981 /nfs/dbraw/zinc/19/79/81/766197981.db2.gz VKABGVDTPBCHQK-ZIAGYGMSSA-N 1 3 314.474 0.679 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001136035890 766218622 /nfs/dbraw/zinc/21/86/22/766218622.db2.gz RYVYOVIYNBRTCR-RYUDHWBXSA-N 1 3 319.413 0.425 20 0 DCADHO CCOC(=O)[C@H]1NC(=O)c2cc(N[C@H](N)CCC[NH3+])ccc2O1 ZINC001170901012 766250469 /nfs/dbraw/zinc/25/04/69/766250469.db2.gz TUVNXUMTKZUVLM-JSGCOSHPSA-N 1 3 322.365 0.134 20 0 DCADHO CC(C)=CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090536391 766297966 /nfs/dbraw/zinc/29/79/66/766297966.db2.gz DVNAIFIQAMPYOG-CVEARBPZSA-N 1 3 309.454 0.846 20 0 DCADHO CCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090642236 766410659 /nfs/dbraw/zinc/41/06/59/766410659.db2.gz VXGRKPWANMJPKJ-HZPDHXFCSA-N 1 3 305.422 0.933 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC001119347477 766640366 /nfs/dbraw/zinc/64/03/66/766640366.db2.gz MFQVCVJVQKBQFS-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001119353347 766642476 /nfs/dbraw/zinc/64/24/76/766642476.db2.gz ZOJINVNWKIEOFH-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+]1CC2(CN(C(=O)[C@H]3[C@H](O)CCN3Cc3ccccc3)C2)C1 ZINC001143669454 766693274 /nfs/dbraw/zinc/69/32/74/766693274.db2.gz HTQNVOHHDQRQFF-HZPDHXFCSA-N 1 3 315.417 0.396 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001160889283 767379836 /nfs/dbraw/zinc/37/98/36/767379836.db2.gz GZVAMKUOAZOYCL-QWHCGFSZSA-N 1 3 300.447 0.467 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146711762 767509679 /nfs/dbraw/zinc/50/96/79/767509679.db2.gz WPCVMIZDMDNPRG-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146711762 767509682 /nfs/dbraw/zinc/50/96/82/767509682.db2.gz WPCVMIZDMDNPRG-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO COCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121772474 767634642 /nfs/dbraw/zinc/63/46/42/767634642.db2.gz BBJUGIZKWJBZMV-HOUHCIJLSA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2)N(C)C ZINC001121784304 767635344 /nfs/dbraw/zinc/63/53/44/767635344.db2.gz CRVBXTNUUBTMSE-KSISSFPLSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2)N(C)C ZINC001121798208 767637262 /nfs/dbraw/zinc/63/72/62/767637262.db2.gz HYIQARITWHOPBG-OEQALTSJSA-N 1 3 322.453 0.232 20 0 DCADHO CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1 ZINC001121935275 767673086 /nfs/dbraw/zinc/67/30/86/767673086.db2.gz KBZJAVAQUJLPDR-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001147647096 767803647 /nfs/dbraw/zinc/80/36/47/767803647.db2.gz MJLRHPXWABUYNQ-CYBMUJFWSA-N 1 3 301.406 0.193 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001147647096 767803654 /nfs/dbraw/zinc/80/36/54/767803654.db2.gz MJLRHPXWABUYNQ-CYBMUJFWSA-N 1 3 301.406 0.193 20 0 DCADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001122535710 767827405 /nfs/dbraw/zinc/82/74/05/767827405.db2.gz FYPAUERLZHAFEF-YNEHKIRRSA-N 1 3 317.380 0.289 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001138769541 768435853 /nfs/dbraw/zinc/43/58/53/768435853.db2.gz RRSPYHKPPSUMPH-RDJZCZTQSA-N 1 3 308.422 0.802 20 0 DCADHO COc1nccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001140703499 768542135 /nfs/dbraw/zinc/54/21/35/768542135.db2.gz VBXWPUQAOIXONN-UHFFFAOYSA-N 1 3 319.453 0.945 20 0 DCADHO C[NH+](C)CC(=O)N[C@@H]1CCCN(Cc2ccn3ccnc3c2)C1 ZINC001141049804 768564387 /nfs/dbraw/zinc/56/43/87/768564387.db2.gz USYRMUXULDFVOX-OAHLLOKOSA-N 1 3 315.421 0.977 20 0 DCADHO C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219913 768596709 /nfs/dbraw/zinc/59/67/09/768596709.db2.gz QHWHHIYAKNNDOT-HUUCEWRRSA-N 1 3 309.454 0.847 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001161219913 768596713 /nfs/dbraw/zinc/59/67/13/768596713.db2.gz QHWHHIYAKNNDOT-HUUCEWRRSA-N 1 3 309.454 0.847 20 0 DCADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)CCS(C)(=O)=O ZINC001142530691 768649312 /nfs/dbraw/zinc/64/93/12/768649312.db2.gz PTASSFDOJKYKSD-UHFFFAOYSA-N 1 3 321.487 0.153 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881339 768898759 /nfs/dbraw/zinc/89/87/59/768898759.db2.gz LGPQDQQDJYASMC-CABCVRRESA-N 1 3 315.458 0.426 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001149936531 768910995 /nfs/dbraw/zinc/91/09/95/768910995.db2.gz HRHPDJHUSUOWHR-CQSZACIVSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001149936531 768911002 /nfs/dbraw/zinc/91/10/02/768911002.db2.gz HRHPDJHUSUOWHR-CQSZACIVSA-N 1 3 315.458 0.570 20 0 DCADHO COC[C@H](C)N1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195098 769034481 /nfs/dbraw/zinc/03/44/81/769034481.db2.gz XULPZQWPOMKNSF-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnc2n[nH]cc2c1 ZINC001150494615 769111332 /nfs/dbraw/zinc/11/13/32/769111332.db2.gz RLUYTSTUHKTVAZ-UHFFFAOYSA-N 1 3 303.370 0.635 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CCC(C)CC1 ZINC001151065686 769250426 /nfs/dbraw/zinc/25/04/26/769250426.db2.gz MTTABVAJWJENKR-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCC(C)CC1 ZINC001151065686 769250434 /nfs/dbraw/zinc/25/04/34/769250434.db2.gz MTTABVAJWJENKR-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001151066541 769250890 /nfs/dbraw/zinc/25/08/90/769250890.db2.gz VVACYZZZCJTFCJ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001151066541 769250896 /nfs/dbraw/zinc/25/08/96/769250896.db2.gz VVACYZZZCJTFCJ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361447 769320410 /nfs/dbraw/zinc/32/04/10/769320410.db2.gz GVVHNXNZUMSZSW-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172003230 769408364 /nfs/dbraw/zinc/40/83/64/769408364.db2.gz UQNSKOZBSAIESP-HNNXBMFYSA-N 1 3 308.470 0.755 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001152147976 769491152 /nfs/dbraw/zinc/49/11/52/769491152.db2.gz NPSIWESJFPFLRS-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152238135 769514512 /nfs/dbraw/zinc/51/45/12/769514512.db2.gz YPGAQSALHTYQOH-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001152457084 769563990 /nfs/dbraw/zinc/56/39/90/769563990.db2.gz BBPUMVJJNAEBKL-OLZOCXBDSA-N 1 3 319.396 0.991 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001152464305 769568410 /nfs/dbraw/zinc/56/84/10/769568410.db2.gz JLMLKEIKBSHEPJ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001152473036 769570872 /nfs/dbraw/zinc/57/08/72/769570872.db2.gz UWPBVUMJDOWWNW-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO c1cc(CN2CC[NH2+]CC2)cc(CN2C[C@@H]3COC[C@H](C2)N3)c1 ZINC001235297201 769799303 /nfs/dbraw/zinc/79/93/03/769799303.db2.gz FOHLPSXZGPLKCE-HDICACEKSA-N 1 3 316.449 0.264 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175255848 769884445 /nfs/dbraw/zinc/88/44/45/769884445.db2.gz HTFCJIZYIDPGKW-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO NCCS(=O)(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001237622860 770069404 /nfs/dbraw/zinc/06/94/04/770069404.db2.gz XAOWQMWCNZXOBK-UHFFFAOYSA-N 1 3 313.423 0.862 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC001238878752 770139894 /nfs/dbraw/zinc/13/98/94/770139894.db2.gz LFIRTVQBSHZNTF-UHFFFAOYSA-N 1 3 311.451 0.782 20 0 DCADHO Cc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1F ZINC001238879547 770140348 /nfs/dbraw/zinc/14/03/48/770140348.db2.gz SZNUMYUNENTSJC-UHFFFAOYSA-N 1 3 303.403 0.741 20 0 DCADHO CC[NH+](CC)CCCNC(=S)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239452898 770223174 /nfs/dbraw/zinc/22/31/74/770223174.db2.gz SIPUSDUSSAIXCT-NEPJUHHUSA-N 1 3 316.471 0.025 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972188 770265081 /nfs/dbraw/zinc/26/50/81/770265081.db2.gz QAPJVBHXEYZBQZ-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001176980899 770270176 /nfs/dbraw/zinc/27/01/76/770270176.db2.gz VVAOMYWZEDVSGD-UHFFFAOYSA-N 1 3 308.426 0.321 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001176986194 770271598 /nfs/dbraw/zinc/27/15/98/770271598.db2.gz HGYLOMLSEOBSEX-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO FC(F)(F)c1nn(-c2ncc3c(n2)CC[NH2+]C3)c2c1CNCC2 ZINC001154848476 770313791 /nfs/dbraw/zinc/31/37/91/770313791.db2.gz WVQVHCPSEXPMBZ-UHFFFAOYSA-N 1 3 324.310 0.973 20 0 DCADHO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)sn1 ZINC001155790965 770619020 /nfs/dbraw/zinc/61/90/20/770619020.db2.gz PVTQLNORXOTBLM-LBPRGKRZSA-N 1 3 312.439 0.842 20 0 DCADHO COc1ncccc1C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791041 770619301 /nfs/dbraw/zinc/61/93/01/770619301.db2.gz RDFLMCPLCCECDW-CQSZACIVSA-N 1 3 306.410 0.780 20 0 DCADHO [NH3+]C1CCN(c2cccc(NCCCc3c[nH][nH]c3=O)n2)CC1 ZINC001156284003 770773687 /nfs/dbraw/zinc/77/36/87/770773687.db2.gz BGHRUAWWAPAQTE-LBPRGKRZSA-N 1 3 316.409 0.933 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178926105 770892629 /nfs/dbraw/zinc/89/26/29/770892629.db2.gz PCYGVPJWTTUQIA-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926105 770892641 /nfs/dbraw/zinc/89/26/41/770892641.db2.gz PCYGVPJWTTUQIA-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178926107 770893295 /nfs/dbraw/zinc/89/32/95/770893295.db2.gz PCYGVPJWTTUQIA-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926107 770893309 /nfs/dbraw/zinc/89/33/09/770893309.db2.gz PCYGVPJWTTUQIA-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc2c1OCCCO2 ZINC001156717995 770904949 /nfs/dbraw/zinc/90/49/49/770904949.db2.gz RBZGFPPXRUHYSX-UHFFFAOYSA-N 1 3 306.366 0.922 20 0 DCADHO Cc1ncc(C[NH3+])c(=N)n1-c1cccc(N2CCN(C)CC2)n1 ZINC001156830435 770937599 /nfs/dbraw/zinc/93/75/99/770937599.db2.gz JBOOYRPAKJVZLQ-UHFFFAOYSA-N 1 3 313.409 0.266 20 0 DCADHO Cc1ncc(CN)c(=N)n1-c1cccc(N2CC[NH+](C)CC2)n1 ZINC001156830435 770937611 /nfs/dbraw/zinc/93/76/11/770937611.db2.gz JBOOYRPAKJVZLQ-UHFFFAOYSA-N 1 3 313.409 0.266 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C)C(=O)NC1CC1 ZINC001179303485 770983206 /nfs/dbraw/zinc/98/32/06/770983206.db2.gz DXZHURSCUVSDSS-PAPYEOQZSA-N 1 3 322.453 0.327 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001179856534 771026442 /nfs/dbraw/zinc/02/64/42/771026442.db2.gz DRPDRNSIQWMYKW-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cncn2C)[C@@H]1C ZINC001179856534 771026450 /nfs/dbraw/zinc/02/64/50/771026450.db2.gz DRPDRNSIQWMYKW-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925252 771035106 /nfs/dbraw/zinc/03/51/06/771035106.db2.gz MLVXRPKMSDGRCR-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925252 771035111 /nfs/dbraw/zinc/03/51/11/771035111.db2.gz MLVXRPKMSDGRCR-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC(=O)N(C)C ZINC001180123644 771065636 /nfs/dbraw/zinc/06/56/36/771065636.db2.gz JGTDQNZUDIGVGP-UHFFFAOYSA-N 1 3 314.474 0.683 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180211214 771074605 /nfs/dbraw/zinc/07/46/05/771074605.db2.gz ACFGVKSGEHHZBJ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H]1C ZINC001180222818 771076349 /nfs/dbraw/zinc/07/63/49/771076349.db2.gz ULJWZJCBRDIOAS-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCCOc1ccc(CN2C[C@H](O)[C@@H](CO)C2)cc1 ZINC001204263905 771081829 /nfs/dbraw/zinc/08/18/29/771081829.db2.gz PBYLXBNBZIMXPP-WBVHZDCISA-N 1 3 308.422 0.802 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653061 771326341 /nfs/dbraw/zinc/32/63/41/771326341.db2.gz UUBPMEROEJNNSK-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001181651657 771326589 /nfs/dbraw/zinc/32/65/89/771326589.db2.gz DDVQOFSPBHIYCA-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181727677 771336210 /nfs/dbraw/zinc/33/62/10/771336210.db2.gz BLXADISFJFVDBN-IUODEOHRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001181736743 771346634 /nfs/dbraw/zinc/34/66/34/771346634.db2.gz UUUDYLWGGKWWGR-IIYDPXPESA-N 1 3 324.469 0.419 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC2CCCCC2)C1 ZINC001151066349 771359058 /nfs/dbraw/zinc/35/90/58/771359058.db2.gz TUECVGDJZUCKBG-HNNXBMFYSA-N 1 3 324.469 0.340 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCC2CCCCC2)C1 ZINC001151066349 771359063 /nfs/dbraw/zinc/35/90/63/771359063.db2.gz TUECVGDJZUCKBG-HNNXBMFYSA-N 1 3 324.469 0.340 20 0 DCADHO C[NH+]1CCC(O)(C(=O)N2CCCc3ccc(CN)nc32)CC1 ZINC001182036779 771393211 /nfs/dbraw/zinc/39/32/11/771393211.db2.gz XGUBHEFOLQSZKX-UHFFFAOYSA-N 1 3 304.394 0.276 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623634 771515097 /nfs/dbraw/zinc/51/50/97/771515097.db2.gz QUBGYJSQBUOKQZ-CABCVRRESA-N 1 3 322.453 0.043 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623208 771515540 /nfs/dbraw/zinc/51/55/40/771515540.db2.gz GXJKVZWZFDNIRC-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO COc1cnccc1[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001157082031 771529332 /nfs/dbraw/zinc/52/93/32/771529332.db2.gz GDOGJAKWNKXOBS-CVEARBPZSA-N 1 3 318.421 0.984 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1cc2n(n1)CCCO2 ZINC001157083908 771530230 /nfs/dbraw/zinc/53/02/30/771530230.db2.gz WZFWOBHUUSYBED-AWEZNQCLSA-N 1 3 323.441 0.777 20 0 DCADHO N[C@H]1CN(C(=O)[C@@H](c2ccco2)N2CCC([NH3+])CC2)C[C@H]1F ZINC001157530796 771626652 /nfs/dbraw/zinc/62/66/52/771626652.db2.gz ITLYXLSLFIDQLG-MBNYWOFBSA-N 1 3 310.373 0.251 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001183288740 771632372 /nfs/dbraw/zinc/63/23/72/771632372.db2.gz MPBZZEIEMMZPHE-QWHCGFSZSA-N 1 3 310.442 0.138 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC001157720264 771658485 /nfs/dbraw/zinc/65/84/85/771658485.db2.gz DTGJCZAFCQYEAC-MRXNPFEDSA-N 1 3 303.406 0.435 20 0 DCADHO CCCNC(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361515 771706570 /nfs/dbraw/zinc/70/65/70/771706570.db2.gz KGAJJMINFXHTID-UHFFFAOYSA-N 1 3 312.458 0.485 20 0 DCADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1CNCc3ccnn3C1)CC2 ZINC001158081629 771723304 /nfs/dbraw/zinc/72/33/04/771723304.db2.gz DYSYGLJZBPNXMG-GFCCVEGCSA-N 1 3 303.410 0.332 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CCC[C@H]3[NH2+]C[C@@H]32)cc1 ZINC001158422330 771772194 /nfs/dbraw/zinc/77/21/94/771772194.db2.gz KDYJSYANBHWJJT-XHSDSOJGSA-N 1 3 303.406 0.918 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486629 771781501 /nfs/dbraw/zinc/78/15/01/771781501.db2.gz PWDVIFMYPJKIOK-HUUCEWRRSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486629 771781502 /nfs/dbraw/zinc/78/15/02/771781502.db2.gz PWDVIFMYPJKIOK-HUUCEWRRSA-N 1 3 322.409 0.442 20 0 DCADHO CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H](C)N)CC2)CC1 ZINC001158513843 771785153 /nfs/dbraw/zinc/78/51/53/771785153.db2.gz RKNDTCSSUDDRTF-GFCCVEGCSA-N 1 3 311.426 0.600 20 0 DCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC2CCC2)C1 ZINC001159132592 771864280 /nfs/dbraw/zinc/86/42/80/771864280.db2.gz BGYMWEMNLYBSCQ-CABCVRRESA-N 1 3 319.453 0.921 20 0 DCADHO CN1CCC[C@H](N[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001185229798 771882527 /nfs/dbraw/zinc/88/25/27/771882527.db2.gz HUDYOEOCPOGSNR-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001185264975 771894960 /nfs/dbraw/zinc/89/49/60/771894960.db2.gz KRHWKBBOYJOOSV-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC1CCN(C(=O)CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001185385543 771909543 /nfs/dbraw/zinc/90/95/43/771909543.db2.gz QWDROPOIOSJERZ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H]1N(C(=O)[C@@H](N)CCCC[NH3+])CCC[C@]12CCC(=O)N2 ZINC001159586353 771930277 /nfs/dbraw/zinc/93/02/77/771930277.db2.gz YWJHMECPOQYZOW-ZENOOKHLSA-N 1 3 310.442 0.493 20 0 DCADHO CC(C)N(C)Cc1cnc2n1CCN(C(=O)[C@@H](N)CC[NH3+])[C@H]2C ZINC001159634456 771937374 /nfs/dbraw/zinc/93/73/74/771937374.db2.gz YZBLSOHGWJNTIF-JSGCOSHPSA-N 1 3 322.457 0.303 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)CC1CC1)C1CC1 ZINC001159916779 771976685 /nfs/dbraw/zinc/97/66/85/771976685.db2.gz SJYIXRCVQHVQJP-INIZCTEOSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC001159931228 771979135 /nfs/dbraw/zinc/97/91/35/771979135.db2.gz BEPXVJTXLFZVMW-QWHCGFSZSA-N 1 3 319.396 0.847 20 0 DCADHO C[C@H](O)C[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379553 772030144 /nfs/dbraw/zinc/03/01/44/772030144.db2.gz IOGUKADCLYBBKG-AWEZNQCLSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379553 772030147 /nfs/dbraw/zinc/03/01/47/772030147.db2.gz IOGUKADCLYBBKG-AWEZNQCLSA-N 1 3 309.454 0.990 20 0 DCADHO CC(=O)N1CCCC[C@@]12CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160423154 772035526 /nfs/dbraw/zinc/03/55/26/772035526.db2.gz KQJSVAIWJPSBNO-HOCLYGCPSA-N 1 3 310.442 0.446 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001160451410 772041812 /nfs/dbraw/zinc/04/18/12/772041812.db2.gz ODQSRLYLTMDHHN-GJZGRUSLSA-N 1 3 324.469 0.694 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(c2ccccn2)CC1 ZINC001160529991 772058889 /nfs/dbraw/zinc/05/88/89/772058889.db2.gz DJDSVYNQEPNZGE-AWEZNQCLSA-N 1 3 300.406 0.597 20 0 DCADHO Cc1nc([C@H]2CCCCN2C(=O)[C@H]2C[NH2+]CC23CNC3)no1 ZINC001160549702 772063496 /nfs/dbraw/zinc/06/34/96/772063496.db2.gz VNQXHFBDCVMRSS-VXGBXAGGSA-N 1 3 305.382 0.241 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160582942 772070560 /nfs/dbraw/zinc/07/05/60/772070560.db2.gz SDQPAOSYKRTQHR-KBPBESRZSA-N 1 3 313.442 0.990 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160635383 772081366 /nfs/dbraw/zinc/08/13/66/772081366.db2.gz ABGXUHYWAWNFSB-CABCVRRESA-N 1 3 322.457 0.937 20 0 DCADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160636793 772081823 /nfs/dbraw/zinc/08/18/23/772081823.db2.gz RNOSMKWQWCBFRJ-BBRMVZONSA-N 1 3 323.437 0.662 20 0 DCADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160636793 772081830 /nfs/dbraw/zinc/08/18/30/772081830.db2.gz RNOSMKWQWCBFRJ-BBRMVZONSA-N 1 3 323.437 0.662 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H](n2cncn2)C1 ZINC001160635644 772082253 /nfs/dbraw/zinc/08/22/53/772082253.db2.gz BLWOTPIVRRQKPS-ZIAGYGMSSA-N 1 3 318.425 0.316 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H](n2cncn2)C1 ZINC001160635644 772082259 /nfs/dbraw/zinc/08/22/59/772082259.db2.gz BLWOTPIVRRQKPS-ZIAGYGMSSA-N 1 3 318.425 0.316 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001186833321 772092038 /nfs/dbraw/zinc/09/20/38/772092038.db2.gz FOSSPDOKIHYJDF-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001186833321 772092044 /nfs/dbraw/zinc/09/20/44/772092044.db2.gz FOSSPDOKIHYJDF-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO O=C([C@H]1CNCCN1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698536 772098121 /nfs/dbraw/zinc/09/81/21/772098121.db2.gz LTLSYYIAPUMFAV-CQSZACIVSA-N 1 3 300.406 0.216 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186981574 772118698 /nfs/dbraw/zinc/11/86/98/772118698.db2.gz QDXVVJSKCVLAQR-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001160839266 772119541 /nfs/dbraw/zinc/11/95/41/772119541.db2.gz RVUSGJPUUVANRK-IJLUTSLNSA-N 1 3 323.359 0.706 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cnc(OC)nc1C)N(C)C ZINC001160883444 772132412 /nfs/dbraw/zinc/13/24/12/772132412.db2.gz NGXALIZTJOEFNT-CQSZACIVSA-N 1 3 323.441 0.730 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122197 772138438 /nfs/dbraw/zinc/13/84/38/772138438.db2.gz QMPQCBULTLJBPQ-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122632 772138539 /nfs/dbraw/zinc/13/85/39/772138539.db2.gz XGZDPMNZMZEYTG-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC/C=C/c1cccnc1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160929081 772139288 /nfs/dbraw/zinc/13/92/88/772139288.db2.gz QPRLBVKQCALAIW-FIMWJMCYSA-N 1 3 300.406 0.752 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001187232180 772150013 /nfs/dbraw/zinc/15/00/13/772150013.db2.gz WQLVNYKOQCQDGG-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1nccc1CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187241088 772152080 /nfs/dbraw/zinc/15/20/80/772152080.db2.gz PZXWWEHXOBMYOY-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001187276262 772159078 /nfs/dbraw/zinc/15/90/78/772159078.db2.gz GMOLEGQMZMLMEC-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001187276262 772159081 /nfs/dbraw/zinc/15/90/81/772159081.db2.gz GMOLEGQMZMLMEC-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN([C@H]4CC[NH2+]C4)C3)C[C@H]21 ZINC001161082363 772163133 /nfs/dbraw/zinc/16/31/33/772163133.db2.gz NRPYFYAGKHMZIF-WCXIOVBPSA-N 1 3 320.481 0.613 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161082354 772163448 /nfs/dbraw/zinc/16/34/48/772163448.db2.gz NPJZEUJEPZMJFP-XPCVCDNBSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161082354 772163451 /nfs/dbraw/zinc/16/34/51/772163451.db2.gz NPJZEUJEPZMJFP-XPCVCDNBSA-N 1 3 310.442 0.029 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]1CCNC[C@@H]1F ZINC001161158110 772178424 /nfs/dbraw/zinc/17/84/24/772178424.db2.gz PQHHJFIAIYVDTA-RYUDHWBXSA-N 1 3 303.378 0.065 20 0 DCADHO Cc1cccnc1O[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161394159 772216447 /nfs/dbraw/zinc/21/64/47/772216447.db2.gz KSXIZJVKFUUTRA-KGLIPLIRSA-N 1 3 306.410 0.826 20 0 DCADHO Cc1cccnc1O[C@@H]1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161394538 772216621 /nfs/dbraw/zinc/21/66/21/772216621.db2.gz NUYFCHLLHDABQE-CABCVRRESA-N 1 3 318.421 0.697 20 0 DCADHO COc1cc2c(cc1OC)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001161469419 772228936 /nfs/dbraw/zinc/22/89/36/772228936.db2.gz YCHBSNAUVHBQTP-CYBMUJFWSA-N 1 3 317.389 0.355 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCC3)C2)C1 ZINC001187824924 772229900 /nfs/dbraw/zinc/22/99/00/772229900.db2.gz CLXQGQZYYIUQFR-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC3CCCC3)C2)C1 ZINC001187824924 772229903 /nfs/dbraw/zinc/22/99/03/772229903.db2.gz CLXQGQZYYIUQFR-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001188145438 772271897 /nfs/dbraw/zinc/27/18/97/772271897.db2.gz HBDZXAAOJQMCIO-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](F)CC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162871996 772427282 /nfs/dbraw/zinc/42/72/82/772427282.db2.gz CNPALZALLRVEPX-PGOFDVKTSA-N 1 3 313.417 0.694 20 0 DCADHO CC(C)N1CCN(c2ccc(N[C@@H]3COC[C@@H]3[NH3+])cn2)CC1 ZINC001162920750 772431537 /nfs/dbraw/zinc/43/15/37/772431537.db2.gz AZMQTMBRLNZIOJ-LSDHHAIUSA-N 1 3 305.426 0.750 20 0 DCADHO CCOC(=O)Cc1ccc(NC(=[NH2+])NCCN(CC)CC)nn1 ZINC001163128462 772468879 /nfs/dbraw/zinc/46/88/79/772468879.db2.gz KYEVBLWXUHGFTC-UHFFFAOYSA-N 1 3 322.413 0.860 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1ccnc(N2CCOCC2)n1 ZINC001163129400 772468937 /nfs/dbraw/zinc/46/89/37/772468937.db2.gz WIZHVQKOJKZTAK-UHFFFAOYSA-N 1 3 321.429 0.591 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnccc1Br ZINC001189588395 772502101 /nfs/dbraw/zinc/50/21/01/772502101.db2.gz LJGOEGKDZXFIPV-UHFFFAOYSA-N 1 3 314.187 0.919 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001165465251 772740439 /nfs/dbraw/zinc/74/04/39/772740439.db2.gz ZLMQNCSBGDMUQF-GFCCVEGCSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001165727547 772758549 /nfs/dbraw/zinc/75/85/49/772758549.db2.gz CTKGMDWTYBHKDZ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCn1nncc1CNCCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772715 772761055 /nfs/dbraw/zinc/76/10/55/772761055.db2.gz UMRRVVHCIFMUJS-UHFFFAOYSA-N 1 3 308.430 0.236 20 0 DCADHO COc1nccc(CNCCCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001165772052 772761216 /nfs/dbraw/zinc/76/12/16/772761216.db2.gz HSRLWFRWRVVXBC-UHFFFAOYSA-N 1 3 321.425 0.423 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H](C(C)C)[NH+](C)C)nn1 ZINC001166004579 772777994 /nfs/dbraw/zinc/77/79/94/772777994.db2.gz SNHFMDBHQRKPTC-OAHLLOKOSA-N 1 3 323.441 0.667 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)C1=O ZINC001166010062 772778707 /nfs/dbraw/zinc/77/87/07/772778707.db2.gz GEVGLGXYCMAVHZ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001166626889 772830421 /nfs/dbraw/zinc/83/04/21/772830421.db2.gz LOACGIQUVWDASL-KGLIPLIRSA-N 1 3 320.441 0.346 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634942 772833013 /nfs/dbraw/zinc/83/30/13/772833013.db2.gz ZFOXLRFANLTZQM-CYBMUJFWSA-N 1 3 307.442 0.809 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001166668081 772837459 /nfs/dbraw/zinc/83/74/59/772837459.db2.gz QFTVAHJNXCTHMZ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677335 772838307 /nfs/dbraw/zinc/83/83/07/772838307.db2.gz HTHONWPXPOQGCC-AWEZNQCLSA-N 1 3 301.431 0.087 20 0 DCADHO CCn1cc(CC[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001166676775 772838407 /nfs/dbraw/zinc/83/84/07/772838407.db2.gz CLKCORKWEFVRMK-HNNXBMFYSA-N 1 3 321.469 0.883 20 0 DCADHO CNC(=O)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166686662 772840050 /nfs/dbraw/zinc/84/00/50/772840050.db2.gz BFJHKJOHMJUCRX-OAHLLOKOSA-N 1 3 316.421 0.041 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCc2cnn(C)c2)C1 ZINC001166678881 772840086 /nfs/dbraw/zinc/84/00/86/772840086.db2.gz XTRFTSDQSBAEKN-AWEZNQCLSA-N 1 3 307.442 0.400 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001166678898 772840254 /nfs/dbraw/zinc/84/02/54/772840254.db2.gz YPKKYJUVRFPNGC-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001166678898 772840257 /nfs/dbraw/zinc/84/02/57/772840257.db2.gz YPKKYJUVRFPNGC-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001166690795 772840958 /nfs/dbraw/zinc/84/09/58/772840958.db2.gz GAPVZZPPNSYUKK-JSGCOSHPSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001166690795 772840962 /nfs/dbraw/zinc/84/09/62/772840962.db2.gz GAPVZZPPNSYUKK-JSGCOSHPSA-N 1 3 321.425 0.279 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001166690895 772841009 /nfs/dbraw/zinc/84/10/09/772841009.db2.gz HXMYRZATWGSCNN-ZFWWWQNUSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001166690895 772841014 /nfs/dbraw/zinc/84/10/14/772841014.db2.gz HXMYRZATWGSCNN-ZFWWWQNUSA-N 1 3 307.442 0.697 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1)N(C)C ZINC001166852426 772871171 /nfs/dbraw/zinc/87/11/71/772871171.db2.gz RAJXCPATRWYZIB-CABCVRRESA-N 1 3 315.458 0.618 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N(CC)C1CC1)N(C)C ZINC001166852936 772871632 /nfs/dbraw/zinc/87/16/32/772871632.db2.gz ZGTDFXNMJDQJQD-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC(C)C)N(C)C ZINC001166866837 772872433 /nfs/dbraw/zinc/87/24/33/772872433.db2.gz WJXCZRJFEVZNLB-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001167043342 772901073 /nfs/dbraw/zinc/90/10/73/772901073.db2.gz ARTIQBCTDMLOLQ-CHWSQXEVSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001203925573 772929883 /nfs/dbraw/zinc/92/98/83/772929883.db2.gz SMOHBFNWOCCHKJ-CQSZACIVSA-N 1 3 310.442 0.138 20 0 DCADHO COC(=O)c1cc(CN2CCC[C@@](O)(C[NH3+])CC2)ccc1O ZINC001205241184 772984193 /nfs/dbraw/zinc/98/41/93/772984193.db2.gz RIXLISARNIJQLM-INIZCTEOSA-N 1 3 308.378 0.855 20 0 DCADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC(C[NH2+]CCF)CC1 ZINC001205345281 772988104 /nfs/dbraw/zinc/98/81/04/772988104.db2.gz OBHDIDGLNFGAFU-CABCVRRESA-N 1 3 313.417 0.647 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469566 772994099 /nfs/dbraw/zinc/99/40/99/772994099.db2.gz MPXPZEBBMWKWSK-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001206168084 773051939 /nfs/dbraw/zinc/05/19/39/773051939.db2.gz DAKSOYIPBBEFPL-GXTWGEPZSA-N 1 3 312.458 0.275 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1O ZINC001193456850 773072129 /nfs/dbraw/zinc/07/21/29/773072129.db2.gz XSMLBFGPXIKWCA-BFHYXJOUSA-N 1 3 303.422 0.484 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001193456850 773072131 /nfs/dbraw/zinc/07/21/31/773072131.db2.gz XSMLBFGPXIKWCA-BFHYXJOUSA-N 1 3 303.422 0.484 20 0 DCADHO C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001206585937 773091266 /nfs/dbraw/zinc/09/12/66/773091266.db2.gz IEEFAZMZPLYODO-JHJVBQTASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001206585937 773091269 /nfs/dbraw/zinc/09/12/69/773091269.db2.gz IEEFAZMZPLYODO-JHJVBQTASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@@H]1CN(CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001206585937 773091271 /nfs/dbraw/zinc/09/12/71/773091271.db2.gz IEEFAZMZPLYODO-JHJVBQTASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@@H]1CN(CCOCC(F)F)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001206585937 773091275 /nfs/dbraw/zinc/09/12/75/773091275.db2.gz IEEFAZMZPLYODO-JHJVBQTASA-N 1 3 319.396 0.799 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1 ZINC001194294305 773178512 /nfs/dbraw/zinc/17/85/12/773178512.db2.gz LLITUAGFHWBWFX-INIZCTEOSA-N 1 3 321.469 0.836 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC001194294305 773178514 /nfs/dbraw/zinc/17/85/14/773178514.db2.gz LLITUAGFHWBWFX-INIZCTEOSA-N 1 3 321.469 0.836 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688171 773270197 /nfs/dbraw/zinc/27/01/97/773270197.db2.gz MOXKPVUJDWXQPC-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001207784206 773300424 /nfs/dbraw/zinc/30/04/24/773300424.db2.gz FRTRJZFDDOLCQR-UKRRQHHQSA-N 1 3 306.410 0.337 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001208328455 773434001 /nfs/dbraw/zinc/43/40/01/773434001.db2.gz DPKXEYAQLOMGQX-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335371 773437196 /nfs/dbraw/zinc/43/71/96/773437196.db2.gz SPEZBJSRIMGKBK-ZBFHGGJFSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001208493207 773477344 /nfs/dbraw/zinc/47/73/44/773477344.db2.gz WCYISURIGFVVTH-IUODEOHRSA-N 1 3 322.457 0.283 20 0 DCADHO CN1CCN(C)C2(CCN(C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001208611777 773506827 /nfs/dbraw/zinc/50/68/27/773506827.db2.gz XTRWZJLOIFYVBM-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CCN(C)C2(CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001208611777 773506831 /nfs/dbraw/zinc/50/68/31/773506831.db2.gz XTRWZJLOIFYVBM-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252330 773563945 /nfs/dbraw/zinc/56/39/45/773563945.db2.gz YSKNSOXMEYSCEB-RRFJBIMHSA-N 1 3 313.442 0.057 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)N(C)C ZINC001209304779 773588222 /nfs/dbraw/zinc/58/82/22/773588222.db2.gz UFLUGZLPEXCJNW-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408731 773603154 /nfs/dbraw/zinc/60/31/54/773603154.db2.gz WWGYAZCMMJDSNN-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCOCCOC)C1)N(C)C ZINC001209669672 773632796 /nfs/dbraw/zinc/63/27/96/773632796.db2.gz SIIVYCOKFHFALI-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001210216858 773686572 /nfs/dbraw/zinc/68/65/72/773686572.db2.gz AMNMSKSISPBYNR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)CCC)C1 ZINC001210790459 773739556 /nfs/dbraw/zinc/73/95/56/773739556.db2.gz XKZDKOPVWOJQCQ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NC1CCCC1 ZINC001152340084 773754003 /nfs/dbraw/zinc/75/40/03/773754003.db2.gz FZKHHRRMTUYDAY-UHFFFAOYSA-N 1 3 324.469 0.627 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnn(CC(F)(F)F)c1 ZINC001197561318 773767315 /nfs/dbraw/zinc/76/73/15/773767315.db2.gz GOTRCVMKNRRAAN-UHFFFAOYSA-N 1 3 306.292 0.520 20 0 DCADHO COCCOc1ncccc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001197639082 773781708 /nfs/dbraw/zinc/78/17/08/773781708.db2.gz SSTHRSJETATRDW-UHFFFAOYSA-N 1 3 309.370 0.181 20 0 DCADHO CCOCCCN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832773 773804316 /nfs/dbraw/zinc/80/43/16/773804316.db2.gz OIERUMLPQMXKIR-UHFFFAOYSA-N 1 3 315.458 0.526 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ncccc1N(C)C ZINC001198240210 773885295 /nfs/dbraw/zinc/88/52/95/773885295.db2.gz NGHNUEQLUFPWOT-UHFFFAOYSA-N 1 3 306.414 0.825 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203904398 773916948 /nfs/dbraw/zinc/91/69/48/773916948.db2.gz VDQHHQOCOPJDHK-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC)C1 ZINC001214779915 774013742 /nfs/dbraw/zinc/01/37/42/774013742.db2.gz DCDDPADFWMFSGR-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC)C1 ZINC001214779915 774013748 /nfs/dbraw/zinc/01/37/48/774013748.db2.gz DCDDPADFWMFSGR-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001215563293 774082802 /nfs/dbraw/zinc/08/28/02/774082802.db2.gz DQTDFYHZWUQRGA-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](COCC(=O)N1C[C@@H](C)[C@H](NCCF)C1)[NH+]1CCCC1 ZINC001215599152 774084992 /nfs/dbraw/zinc/08/49/92/774084992.db2.gz SVFIAIQRCGNKHD-RBSFLKMASA-N 1 3 315.433 0.893 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001216217305 774109062 /nfs/dbraw/zinc/10/90/62/774109062.db2.gz PYVAOGMIYVPFHQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCCC2)C1 ZINC001216217305 774109059 /nfs/dbraw/zinc/10/90/59/774109059.db2.gz PYVAOGMIYVPFHQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216383383 774115203 /nfs/dbraw/zinc/11/52/03/774115203.db2.gz LHNWQBXUVCKMMT-VNHYZAJKSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216383383 774115206 /nfs/dbraw/zinc/11/52/06/774115206.db2.gz LHNWQBXUVCKMMT-VNHYZAJKSA-N 1 3 322.453 0.043 20 0 DCADHO CCCC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001199787858 774198375 /nfs/dbraw/zinc/19/83/75/774198375.db2.gz FWSWPNHKRRHNOP-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO c1cc(O[C@@H]2CSC3(C[NH2+]C3)C2)n2nc3c(c2n1)CNCC3 ZINC001218100319 774212449 /nfs/dbraw/zinc/21/24/49/774212449.db2.gz NKKWMYSYFYWGCW-JTQLQIEISA-N 1 3 317.418 0.601 20 0 DCADHO N[C@@H](C(=O)Nc1cccnc1-n1cccn1)C1CC[NH2+]CC1 ZINC001218501237 774229190 /nfs/dbraw/zinc/22/91/90/774229190.db2.gz HCGVZDJWRCEYDS-CYBMUJFWSA-N 1 3 300.366 0.533 20 0 DCADHO Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)on1 ZINC001218502470 774230361 /nfs/dbraw/zinc/23/03/61/774230361.db2.gz ZGVCOXABFLNIIX-BXUZGUMPSA-N 1 3 306.410 0.904 20 0 DCADHO Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)on1 ZINC001218502470 774230367 /nfs/dbraw/zinc/23/03/67/774230367.db2.gz ZGVCOXABFLNIIX-BXUZGUMPSA-N 1 3 306.410 0.904 20 0 DCADHO O=C(Nc1ncc(C(F)(F)F)cn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218530847 774239296 /nfs/dbraw/zinc/23/92/96/774239296.db2.gz WHVLWLQRSWJBPS-QMMMGPOBSA-N 1 3 301.272 0.243 20 0 DCADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218556221 774246711 /nfs/dbraw/zinc/24/67/11/774246711.db2.gz XUWFXYSVKKLBIG-JTQLQIEISA-N 1 3 311.386 0.584 20 0 DCADHO COc1ccc(Br)c(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)n1 ZINC001218657006 774274634 /nfs/dbraw/zinc/27/46/34/774274634.db2.gz WEBHEBVZTCOXPA-XPUUQOCRSA-N 1 3 315.171 0.480 20 0 DCADHO N[C@H](C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C1CCOCC1 ZINC001218727496 774290351 /nfs/dbraw/zinc/29/03/51/774290351.db2.gz NHRNEWVARIJDDH-HIFRSBDPSA-N 1 3 320.393 0.515 20 0 DCADHO CCN(C)c1ncc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cn1 ZINC001218741083 774293394 /nfs/dbraw/zinc/29/33/94/774293394.db2.gz RSZFURCQZFBJDC-ZDUSSCGKSA-N 1 3 308.430 0.930 20 0 DCADHO N[C@H](C(=O)Nc1cc(Cl)nc2ccnn21)C1CC[NH2+]CC1 ZINC001218745029 774295240 /nfs/dbraw/zinc/29/52/40/774295240.db2.gz DFFUWZNYCJVHEE-LBPRGKRZSA-N 1 3 308.773 0.648 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC001218850423 774315294 /nfs/dbraw/zinc/31/52/94/774315294.db2.gz LNZKRJDEHKDDTP-CQSZACIVSA-N 1 3 320.393 0.164 20 0 DCADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1n[nH]c2c1CNCC2 ZINC001218939811 774332145 /nfs/dbraw/zinc/33/21/45/774332145.db2.gz XTAXZWNRTSMART-UHFFFAOYSA-N 1 3 311.389 0.996 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccccc1CN1CCCC1=O ZINC001218965981 774336872 /nfs/dbraw/zinc/33/68/72/774336872.db2.gz KDJAOGWIDRABSG-CYBMUJFWSA-N 1 3 304.394 0.814 20 0 DCADHO NC(=O)c1ccc(C[C@H](N)C(=O)Nc2cccc3c2C[NH2+]C3)cc1 ZINC001218993775 774343410 /nfs/dbraw/zinc/34/34/10/774343410.db2.gz UTYLIXDZMITVST-HNNXBMFYSA-N 1 3 324.384 0.897 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=S)NCCN1CCCCC1 ZINC001200428898 774350863 /nfs/dbraw/zinc/35/08/63/774350863.db2.gz CDFHTVCEDVXSQU-CQSZACIVSA-N 1 3 314.499 0.609 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCCO1 ZINC001200688766 774393363 /nfs/dbraw/zinc/39/33/63/774393363.db2.gz VSEDMLITFLQBNY-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCCO[C@H](CNCCF)C2)CC1 ZINC001201309000 774485557 /nfs/dbraw/zinc/48/55/57/774485557.db2.gz IPLGURGIPROIJQ-CQSZACIVSA-N 1 3 301.406 0.505 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCCF)C1 ZINC001201678582 774536658 /nfs/dbraw/zinc/53/66/58/774536658.db2.gz LTVFBFHMYOFNSC-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219644995 774569921 /nfs/dbraw/zinc/56/99/21/774569921.db2.gz HJUDKAPVRJYHIQ-RFGFWPKPSA-N 1 3 312.458 0.226 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCOCC)C1 ZINC001201932332 774573543 /nfs/dbraw/zinc/57/35/43/774573543.db2.gz WXEJAVWCAVSDLA-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(=O)N2 ZINC001219686941 774579254 /nfs/dbraw/zinc/57/92/54/774579254.db2.gz ASPZLKZNEAZGST-KBPBESRZSA-N 1 3 302.378 0.431 20 0 DCADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CNCc2ccnn2C1 ZINC001219772984 774602798 /nfs/dbraw/zinc/60/27/98/774602798.db2.gz JACDBWUCOWBVPR-LBPRGKRZSA-N 1 3 303.410 0.251 20 0 DCADHO CC1(C)CN[C@H](C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)CO1 ZINC001219795995 774611189 /nfs/dbraw/zinc/61/11/89/774611189.db2.gz IBCKXZIMCQWHKI-HNNXBMFYSA-N 1 3 324.469 0.086 20 0 DCADHO N[C@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C1Cc2ccccc2C1 ZINC001219812902 774617713 /nfs/dbraw/zinc/61/77/13/774617713.db2.gz KMMGISQVTOTUMR-BQFCYCMXSA-N 1 3 315.417 0.081 20 0 DCADHO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219866057 774632160 /nfs/dbraw/zinc/63/21/60/774632160.db2.gz ZLARYSTVSMXZCN-HRCADAONSA-N 1 3 315.417 0.635 20 0 DCADHO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219866057 774632164 /nfs/dbraw/zinc/63/21/64/774632164.db2.gz ZLARYSTVSMXZCN-HRCADAONSA-N 1 3 315.417 0.635 20 0 DCADHO COc1ccc(CCNC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1O ZINC001219910353 774644676 /nfs/dbraw/zinc/64/46/76/774644676.db2.gz YWKYROKFGDKXHB-HNNXBMFYSA-N 1 3 307.394 0.386 20 0 DCADHO Cn1c(CNC(=O)[C@@H](N)CSCC[NH3+])cc2ccccc21 ZINC001219936773 774652028 /nfs/dbraw/zinc/65/20/28/774652028.db2.gz UAHFXFLOMZWYPK-ZDUSSCGKSA-N 1 3 306.435 0.814 20 0 DCADHO N[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]C1 ZINC001219999356 774664520 /nfs/dbraw/zinc/66/45/20/774664520.db2.gz QQJBZXIKJMPOKL-RDJZCZTQSA-N 1 3 302.422 0.631 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219999239 774664945 /nfs/dbraw/zinc/66/49/45/774664945.db2.gz NWVZKGGXDGJUIJ-XHSDSOJGSA-N 1 3 303.406 0.520 20 0 DCADHO CC1(C)CC(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC(C)(C)N1O ZINC001220049314 774681632 /nfs/dbraw/zinc/68/16/32/774681632.db2.gz GJRJIFRMFPFHLV-ZDUSSCGKSA-N 1 3 312.458 0.840 20 0 DCADHO CC1(C)CC(NC(=O)[C@@H](N)CSCC[NH3+])CC(C)(C)N1O ZINC001220049758 774681645 /nfs/dbraw/zinc/68/16/45/774681645.db2.gz QVUUYRLIEXAQGI-NSHDSACASA-N 1 3 318.487 0.533 20 0 DCADHO O=C(NC1(C(F)(F)F)CCOCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220156983 774712884 /nfs/dbraw/zinc/71/28/84/774712884.db2.gz SIJUHVQGTPCCDM-VIFPVBQESA-N 1 3 307.316 0.023 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC001220163049 774715554 /nfs/dbraw/zinc/71/55/54/774715554.db2.gz OKFTVODBRHPWLT-JKIFEVAISA-N 1 3 322.453 0.365 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001202496739 774729603 /nfs/dbraw/zinc/72/96/03/774729603.db2.gz WQVMFUMJDGCHKQ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C(=O)CNCCNC(=O)CCCC[NH+]1CCCC1)C1CC1 ZINC001153309073 774740882 /nfs/dbraw/zinc/74/08/82/774740882.db2.gz JRZMQJGSWWRDJB-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220236921 774741708 /nfs/dbraw/zinc/74/17/08/774741708.db2.gz KEWZFAGHIAXIHN-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO CCOC(=O)C1(NC(=O)[C@H](N)c2ccccc2)CC[NH+](C)CC1 ZINC001220345589 774779806 /nfs/dbraw/zinc/77/98/06/774779806.db2.gz JLAJCWMYAASFFN-CQSZACIVSA-N 1 3 319.405 0.830 20 0 DCADHO COc1ccc(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)nc1 ZINC001220396650 774794883 /nfs/dbraw/zinc/79/48/83/774794883.db2.gz GTVMYXAJXDXTML-HNNXBMFYSA-N 1 3 318.421 0.623 20 0 DCADHO COc1ccc(CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)nc1 ZINC001220396650 774794885 /nfs/dbraw/zinc/79/48/85/774794885.db2.gz GTVMYXAJXDXTML-HNNXBMFYSA-N 1 3 318.421 0.623 20 0 DCADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C(F)(F)F ZINC001220588726 774855586 /nfs/dbraw/zinc/85/55/86/774855586.db2.gz XJIFAUGKPBNEMT-DTWKUNHWSA-N 1 3 313.320 0.266 20 0 DCADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CNC[C@@H](F)C1 ZINC001220651228 774877557 /nfs/dbraw/zinc/87/75/57/774877557.db2.gz HKQVIUJQNBOGHM-CABCVRRESA-N 1 3 320.412 0.660 20 0 DCADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220660187 774880017 /nfs/dbraw/zinc/88/00/17/774880017.db2.gz BZAGHACVCFSYRL-RDBSUJKOSA-N 1 3 323.437 0.709 20 0 DCADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220660187 774880026 /nfs/dbraw/zinc/88/00/26/774880026.db2.gz BZAGHACVCFSYRL-RDBSUJKOSA-N 1 3 323.437 0.709 20 0 DCADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001220678498 774886121 /nfs/dbraw/zinc/88/61/21/774886121.db2.gz BKGSACRYUPQAOM-KDEOKCCVSA-N 1 3 307.438 0.934 20 0 DCADHO COCCCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799227 774918159 /nfs/dbraw/zinc/91/81/59/774918159.db2.gz RRBIQFPHVFKEEU-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO NCc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cn1 ZINC001220805776 774920735 /nfs/dbraw/zinc/92/07/35/774920735.db2.gz VFJPCZQMPBYKMQ-QWRGUYRKSA-N 1 3 302.300 0.811 20 0 DCADHO N[C@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)C1CC[NH2+]CC1 ZINC001220933821 774956417 /nfs/dbraw/zinc/95/64/17/774956417.db2.gz BBPFTFYYFDZNIJ-HIFRSBDPSA-N 1 3 303.410 0.103 20 0 DCADHO COc1cccc([C@H](N)CC(=O)NCCO[C@H]2CC[NH2+]C2)c1 ZINC001220936169 774956479 /nfs/dbraw/zinc/95/64/79/774956479.db2.gz DAXZUNWUKZLDHQ-LSDHHAIUSA-N 1 3 307.394 0.580 20 0 DCADHO CO[C@@H](CN)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221036951 774983835 /nfs/dbraw/zinc/98/38/35/774983835.db2.gz MOPXZLGQNZQMGU-LSDHHAIUSA-N 1 3 309.385 0.956 20 0 DCADHO O=C(N[C@H](c1cncc(F)c1)C1CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221049305 774985620 /nfs/dbraw/zinc/98/56/20/774985620.db2.gz RVOCYXLTYDLVNH-UKPHBRMFSA-N 1 3 318.396 0.987 20 0 DCADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1C[NH2+]C[C@H]1O ZINC001221062858 774988084 /nfs/dbraw/zinc/98/80/84/774988084.db2.gz CTLUMHOOGZWNDC-HRCADAONSA-N 1 3 303.406 0.348 20 0 DCADHO CN1CCC[C@](C)(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001221241660 775038679 /nfs/dbraw/zinc/03/86/79/775038679.db2.gz WMDXFAGZHCKYPE-UXLLHSPISA-N 1 3 308.470 0.661 20 0 DCADHO O=C(NCC[C@@H]1COc2ccccc2O1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221292050 775056798 /nfs/dbraw/zinc/05/67/98/775056798.db2.gz DDUGGOQKKFJHMX-OLZOCXBDSA-N 1 3 317.389 0.142 20 0 DCADHO C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cccc(N(C)C)c1 ZINC001221314161 775065301 /nfs/dbraw/zinc/06/53/01/775065301.db2.gz LBRZUUZNKQFCSL-WFASDCNBSA-N 1 3 302.422 0.739 20 0 DCADHO CO[C@H]1CC[NH2+][C@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221391137 775083784 /nfs/dbraw/zinc/08/37/84/775083784.db2.gz BKKHMXHGLJEWGR-HOCLYGCPSA-N 1 3 320.437 0.322 20 0 DCADHO CC(C)(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cc(Cl)ccn1 ZINC001221393902 775084494 /nfs/dbraw/zinc/08/44/94/775084494.db2.gz QVINZKMDBFEEGT-LLVKDONJSA-N 1 3 308.813 0.895 20 0 DCADHO C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)CC1 ZINC001221403087 775088175 /nfs/dbraw/zinc/08/81/75/775088175.db2.gz PNDJXFOVLJBMKX-GHMZBOCLSA-N 1 3 323.359 0.490 20 0 DCADHO O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1CNCc2ccnn2C1 ZINC001221410180 775092268 /nfs/dbraw/zinc/09/22/68/775092268.db2.gz QCBZBOBSPBNSEZ-UKRRQHHQSA-N 1 3 303.410 0.107 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001222027350 775251196 /nfs/dbraw/zinc/25/11/96/775251196.db2.gz RIINTWXFIZHSRL-HZPDHXFCSA-N 1 3 309.454 0.778 20 0 DCADHO O=C1NCC[C@@]12C[N@H+](Cc1ccc3c(c1)NCC3)CC21CNC1 ZINC001222527222 775378138 /nfs/dbraw/zinc/37/81/38/775378138.db2.gz KEGBFLQZWAXTIO-GOSISDBHSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@@]12C[N@@H+](Cc1ccc3c(c1)NCC3)CC21CNC1 ZINC001222527222 775378145 /nfs/dbraw/zinc/37/81/45/775378145.db2.gz KEGBFLQZWAXTIO-GOSISDBHSA-N 1 3 312.417 0.566 20 0 DCADHO C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCF ZINC001111277121 775700504 /nfs/dbraw/zinc/70/05/04/775700504.db2.gz BQTLNKJGHGQCJK-MCIONIFRSA-N 1 3 301.406 0.646 20 0 DCADHO C[NH+](C)CCCC(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001228904865 776137084 /nfs/dbraw/zinc/13/70/84/776137084.db2.gz XCIYJUDLGYVWFJ-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001229185033 776165794 /nfs/dbraw/zinc/16/57/94/776165794.db2.gz GITSJSVIAVKVTF-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114832664 776200648 /nfs/dbraw/zinc/20/06/48/776200648.db2.gz VZFGJMWGEIQQCI-LJIGWXMPSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114832664 776200658 /nfs/dbraw/zinc/20/06/58/776200658.db2.gz VZFGJMWGEIQQCI-LJIGWXMPSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN(C)CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001230112896 776255388 /nfs/dbraw/zinc/25/53/88/776255388.db2.gz FZXPAZTZIDVAIJ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001230334962 776282246 /nfs/dbraw/zinc/28/22/46/776282246.db2.gz HHKDDYNPTHTDKE-HUUCEWRRSA-N 1 3 324.469 0.755 20 0 DCADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001230611649 776352659 /nfs/dbraw/zinc/35/26/59/776352659.db2.gz WXZIZXSQVNCPEU-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001230611649 776352670 /nfs/dbraw/zinc/35/26/70/776352670.db2.gz WXZIZXSQVNCPEU-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041846182 777538401 /nfs/dbraw/zinc/53/84/01/777538401.db2.gz ZAQKBKRANKBEQK-DOTOQJQBSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041846182 777538410 /nfs/dbraw/zinc/53/84/10/777538410.db2.gz ZAQKBKRANKBEQK-DOTOQJQBSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001317641645 945137241 /nfs/dbraw/zinc/13/72/41/945137241.db2.gz BFPSBRDNBTVSLC-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001317641645 945137245 /nfs/dbraw/zinc/13/72/45/945137245.db2.gz BFPSBRDNBTVSLC-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCc1ccnn1C ZINC001317665185 945153827 /nfs/dbraw/zinc/15/38/27/945153827.db2.gz QAWWXGMUVALAGA-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO O=C(NC[C@@H](NCCCO)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001317726888 945174124 /nfs/dbraw/zinc/17/41/24/945174124.db2.gz FOKDPUKGQJHMHP-MRXNPFEDSA-N 1 3 317.433 0.912 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@H]3CCCOC3)C2)C1=O ZINC001273032809 945210944 /nfs/dbraw/zinc/21/09/44/945210944.db2.gz CBNJRXGINATQGC-NVXWUHKLSA-N 1 3 309.454 0.899 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@H]3CCCOC3)C2)C1=O ZINC001273032809 945210952 /nfs/dbraw/zinc/21/09/52/945210952.db2.gz CBNJRXGINATQGC-NVXWUHKLSA-N 1 3 309.454 0.899 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001480946072 939466051 /nfs/dbraw/zinc/46/60/51/939466051.db2.gz IPYBNWOMJHOING-NEPJUHHUSA-N 1 3 305.369 0.410 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001480946072 939466052 /nfs/dbraw/zinc/46/60/52/939466052.db2.gz IPYBNWOMJHOING-NEPJUHHUSA-N 1 3 305.369 0.410 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCc1ccnn1C ZINC001268005014 939730884 /nfs/dbraw/zinc/73/08/84/939730884.db2.gz ZYXWCMOAZVGHQR-HUUCEWRRSA-N 1 3 321.469 0.646 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CCn1cccn1 ZINC001268011644 939733916 /nfs/dbraw/zinc/73/39/16/939733916.db2.gz KQYOPPIRCLHQQM-GFCCVEGCSA-N 1 3 304.398 0.499 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001268303465 940041143 /nfs/dbraw/zinc/04/11/43/940041143.db2.gz ANEYXTNVCJLQDJ-DRKGASSASA-N 1 3 303.834 0.678 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CCNCc1ccn(C)n1)[NH+](C)C ZINC001268398845 940103986 /nfs/dbraw/zinc/10/39/86/940103986.db2.gz PQNDVSNZVZKOCB-UKRRQHHQSA-N 1 3 309.458 0.991 20 0 DCADHO Cc1ccccc1OC[C@H](O)CNC1CN(C2CC[NH2+]CC2)C1 ZINC001245987098 945307835 /nfs/dbraw/zinc/30/78/35/945307835.db2.gz BTWGISPDNPHYOK-QGZVFWFLSA-N 1 3 319.449 0.761 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@H](C)CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001482139377 940280648 /nfs/dbraw/zinc/28/06/48/940280648.db2.gz UAICNHPFCYSXAZ-NWDGAFQWSA-N 1 3 322.457 0.858 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C/C=C/CNC(=O)CN2CCCC2)n1 ZINC001268624365 940306975 /nfs/dbraw/zinc/30/69/75/940306975.db2.gz AEXCSNKFEDYFCE-ONEGZZNKSA-N 1 3 319.453 0.858 20 0 DCADHO Nc1cccc2c1CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246051298 945327727 /nfs/dbraw/zinc/32/77/27/945327727.db2.gz JMRWIGUCDLYCNB-AWEZNQCLSA-N 1 3 305.422 0.492 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)N2CC3(C2)CC[N@H+](C)C3)c1 ZINC001269337081 940686567 /nfs/dbraw/zinc/68/65/67/940686567.db2.gz LNAYWFGVYGLQEL-OAHLLOKOSA-N 1 3 303.406 0.729 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)N2CC3(C2)CC[N@@H+](C)C3)c1 ZINC001269337081 940686569 /nfs/dbraw/zinc/68/65/69/940686569.db2.gz LNAYWFGVYGLQEL-OAHLLOKOSA-N 1 3 303.406 0.729 20 0 DCADHO COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CC[C@@H]4NCCO[C@H]43)C[C@H](C1)N2 ZINC001246153078 945350967 /nfs/dbraw/zinc/35/09/67/945350967.db2.gz VUIUJKMWQPYRDY-GKHGNPPXSA-N 1 3 323.437 0.168 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H]2C[NH2+]CCO)C1 ZINC001270263329 940867659 /nfs/dbraw/zinc/86/76/59/940867659.db2.gz KNXAIVGURNSNFM-CZUORRHYSA-N 1 3 315.433 0.772 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246205758 945361166 /nfs/dbraw/zinc/36/11/66/945361166.db2.gz UGJCFDWPXGMICB-YNEHKIRRSA-N 1 3 320.455 0.602 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC001246205758 945361174 /nfs/dbraw/zinc/36/11/74/945361174.db2.gz UGJCFDWPXGMICB-YNEHKIRRSA-N 1 3 320.455 0.602 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)CCCC[NH+](C)C ZINC001482353479 941017156 /nfs/dbraw/zinc/01/71/56/941017156.db2.gz CIMVIOIKIWFQOK-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)CCCC[NH+](C)C ZINC001482353482 941017181 /nfs/dbraw/zinc/01/71/81/941017181.db2.gz CIMVIOIKIWFQOK-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001482356999 941019177 /nfs/dbraw/zinc/01/91/77/941019177.db2.gz UTWVWCQZOXXFIV-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCn1cncn1 ZINC001482367944 941024297 /nfs/dbraw/zinc/02/42/97/941024297.db2.gz CJJPZCRXWGRYJR-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)C[C@@H](CNCc1cncn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482399374 941211041 /nfs/dbraw/zinc/21/10/41/941211041.db2.gz YIZCINJWPXDFGO-CABCVRRESA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@@H](CNCc1cncn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482399374 941211044 /nfs/dbraw/zinc/21/10/44/941211044.db2.gz YIZCINJWPXDFGO-CABCVRRESA-N 1 3 321.469 0.992 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001409070240 941312082 /nfs/dbraw/zinc/31/20/82/941312082.db2.gz DUZZZLJNVZBALQ-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001409070240 941312085 /nfs/dbraw/zinc/31/20/85/941312085.db2.gz DUZZZLJNVZBALQ-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C)N1CCCC1 ZINC001271213991 941324032 /nfs/dbraw/zinc/32/40/32/941324032.db2.gz KLFPLFGNWNQMIA-OAGGEKHMSA-N 1 3 308.470 0.708 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCn1cncn1)C(C)C ZINC001482568596 941508941 /nfs/dbraw/zinc/50/89/41/941508941.db2.gz TXINLIVBIZIZEG-CQSZACIVSA-N 1 3 319.413 0.283 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001409162062 941558282 /nfs/dbraw/zinc/55/82/82/941558282.db2.gz OCZOVWNWSOSBRL-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001409162062 941558284 /nfs/dbraw/zinc/55/82/84/941558284.db2.gz OCZOVWNWSOSBRL-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001482901764 941701914 /nfs/dbraw/zinc/70/19/14/941701914.db2.gz MJFVLDCIVADFOA-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409305867 941886238 /nfs/dbraw/zinc/88/62/38/941886238.db2.gz KKSGNVFQUJVKRX-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001409305867 941886246 /nfs/dbraw/zinc/88/62/46/941886246.db2.gz KKSGNVFQUJVKRX-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001483197764 941931781 /nfs/dbraw/zinc/93/17/81/941931781.db2.gz QFKNMUJINKABBI-CHWSQXEVSA-N 1 3 308.430 0.200 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001409376489 941970717 /nfs/dbraw/zinc/97/07/17/941970717.db2.gz ODHOTYOLYGVSKW-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001409443310 942000319 /nfs/dbraw/zinc/00/03/19/942000319.db2.gz CCSZFASWTBIKLS-STQMWFEESA-N 1 3 322.457 0.972 20 0 DCADHO CN(CC(C)(C)C[NH2+]Cc1cnn(C)c1)C(=O)Cc1c[nH]cn1 ZINC001409482177 942017169 /nfs/dbraw/zinc/01/71/69/942017169.db2.gz CFHDRXWCTSGBMC-UHFFFAOYSA-N 1 3 318.425 0.960 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cncn1 ZINC001483271990 942225718 /nfs/dbraw/zinc/22/57/18/942225718.db2.gz FYHFUUACMVBIOI-LSDHHAIUSA-N 1 3 322.457 0.635 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001483296729 942246524 /nfs/dbraw/zinc/24/65/24/942246524.db2.gz QFKNMUJINKABBI-QWHCGFSZSA-N 1 3 308.430 0.200 20 0 DCADHO COc1nccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001483456187 942366122 /nfs/dbraw/zinc/36/61/22/942366122.db2.gz PABPEGYBMLIVRY-AWEZNQCLSA-N 1 3 321.425 0.518 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001127060838 942406437 /nfs/dbraw/zinc/40/64/37/942406437.db2.gz INFDOWDDTKEAET-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(C)(C)C ZINC001127060838 942406439 /nfs/dbraw/zinc/40/64/39/942406439.db2.gz INFDOWDDTKEAET-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@@H](O)C1 ZINC001083668836 942447952 /nfs/dbraw/zinc/44/79/52/942447952.db2.gz IQPXVSGAXAOWTG-OWCLPIDISA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@@H](O)C1 ZINC001083668836 942447960 /nfs/dbraw/zinc/44/79/60/942447960.db2.gz IQPXVSGAXAOWTG-OWCLPIDISA-N 1 3 309.454 0.678 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001483607399 942460189 /nfs/dbraw/zinc/46/01/89/942460189.db2.gz KZMRLZFTDCOIJZ-GJZGRUSLSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC(=O)NC ZINC001483616995 942467988 /nfs/dbraw/zinc/46/79/88/942467988.db2.gz VMNOPRAIYPIWHG-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC1CC1 ZINC001483949722 943049481 /nfs/dbraw/zinc/04/94/81/943049481.db2.gz BWKKBTBLQJBKSQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC1CC1 ZINC001483949722 943049506 /nfs/dbraw/zinc/04/95/06/943049506.db2.gz BWKKBTBLQJBKSQ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001483957906 943055419 /nfs/dbraw/zinc/05/54/19/943055419.db2.gz CXXFMRRQFHTTNT-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO COC[C@@H](C)[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001484871293 943607311 /nfs/dbraw/zinc/60/73/11/943607311.db2.gz XLNIIKXLSBZMHY-GFCCVEGCSA-N 1 3 324.425 0.551 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001484897724 943620074 /nfs/dbraw/zinc/62/00/74/943620074.db2.gz QDQMBUHXXASEQW-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)[C@@H](C)C1 ZINC001484907751 943623441 /nfs/dbraw/zinc/62/34/41/943623441.db2.gz WEFZYYHSWLGLNW-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)[C@@H](C)C1 ZINC001484907751 943623444 /nfs/dbraw/zinc/62/34/44/943623444.db2.gz WEFZYYHSWLGLNW-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC001484947185 943629513 /nfs/dbraw/zinc/62/95/13/943629513.db2.gz WIFAHDAVTNJFSX-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001491472574 944021091 /nfs/dbraw/zinc/02/10/91/944021091.db2.gz DAQZLTSBXWKWFV-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001485624518 944045657 /nfs/dbraw/zinc/04/56/57/944045657.db2.gz UIVGKGQTKFCJAC-FPCVCCKLSA-N 1 3 309.454 0.659 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001485624518 944045663 /nfs/dbraw/zinc/04/56/63/944045663.db2.gz UIVGKGQTKFCJAC-FPCVCCKLSA-N 1 3 309.454 0.659 20 0 DCADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000715511879 944232483 /nfs/dbraw/zinc/23/24/83/944232483.db2.gz NDKDFGIQVHCDGK-ZIAGYGMSSA-N 1 3 303.472 0.873 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001485960198 944447958 /nfs/dbraw/zinc/44/79/58/944447958.db2.gz BJUCQOJXQAOBEH-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001486053206 944536694 /nfs/dbraw/zinc/53/66/94/944536694.db2.gz WDTZIZAHJXCQLQ-ZBFHGGJFSA-N 1 3 317.433 0.910 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001486082109 944543685 /nfs/dbraw/zinc/54/36/85/944543685.db2.gz WLNPSQUFFKQSTG-TZMCWYRMSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001316854528 944603762 /nfs/dbraw/zinc/60/37/62/944603762.db2.gz LYHWIZZNMRLWHQ-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486297561 944739227 /nfs/dbraw/zinc/73/92/27/944739227.db2.gz GCZNHLUCJGMXEC-CQSZACIVSA-N 1 3 308.426 0.251 20 0 DCADHO CN(CC(=O)NC1CC(CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001486602852 944991239 /nfs/dbraw/zinc/99/12/39/944991239.db2.gz ROZZIKBGDOFTQD-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CCOC(=O)C1=C(NC2CCC3(CC2)C[NH2+]CCO3)CCNC1 ZINC001246282132 945378835 /nfs/dbraw/zinc/37/88/35/945378835.db2.gz BSTPRXBNHVPWGZ-UHFFFAOYSA-N 1 3 323.437 0.688 20 0 DCADHO O=C(CNC1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC001246358960 945392625 /nfs/dbraw/zinc/39/26/25/945392625.db2.gz SAXIKCFHGDZTCX-UHFFFAOYSA-N 1 3 308.470 0.805 20 0 DCADHO c1nc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)cc(OCC2CCC2)n1 ZINC001246382280 945400674 /nfs/dbraw/zinc/40/06/74/945400674.db2.gz BLWNTDRHYWPTJO-CQSZACIVSA-N 1 3 317.437 0.839 20 0 DCADHO CCOC(=O)N1CCC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246416775 945407504 /nfs/dbraw/zinc/40/75/04/945407504.db2.gz LTGBPPVLXODADG-OLZOCXBDSA-N 1 3 314.430 0.570 20 0 DCADHO Cc1cccc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246525491 945425799 /nfs/dbraw/zinc/42/57/99/945425799.db2.gz RGBLRTDXXAWOBK-HNNXBMFYSA-N 1 3 301.438 0.606 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]CCO)CCCC[C@H]1C ZINC001318757051 945440438 /nfs/dbraw/zinc/44/04/38/945440438.db2.gz GFUUAOQTYINLOE-WBMJQRKESA-N 1 3 308.426 0.908 20 0 DCADHO O=C1CC[C@@H]2C[C@H](N3CC[NH2+]C[C@@]4(CCCCN4)C3)CCN12 ZINC001246634813 945448409 /nfs/dbraw/zinc/44/84/09/945448409.db2.gz RLCRSJYWLMILTF-INMHGKMJSA-N 1 3 306.454 0.557 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246703064 945465223 /nfs/dbraw/zinc/46/52/23/945465223.db2.gz HXQWKBBGYNYFSY-INIZCTEOSA-N 1 3 318.465 0.563 20 0 DCADHO O=C([C@@H]1COC[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]21)N1CCCC1 ZINC001246702722 945465903 /nfs/dbraw/zinc/46/59/03/945465903.db2.gz HZJOSXBXKOTQDJ-QKPAOTATSA-N 1 3 307.438 0.555 20 0 DCADHO C[C@H]1C[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CC[NH2+]1 ZINC001246710486 945467656 /nfs/dbraw/zinc/46/76/56/945467656.db2.gz WSZFKVBDEFKFRQ-STQMWFEESA-N 1 3 315.421 0.854 20 0 DCADHO CC(C)NC(=O)c1nn([C@H]2CC[NH2+][C@@H](C)C2)c2c1CNCC2 ZINC001246760712 945483259 /nfs/dbraw/zinc/48/32/59/945483259.db2.gz XRIRDDZMJNXXJN-RYUDHWBXSA-N 1 3 305.426 0.980 20 0 DCADHO FC1(F)CCN(C2CN([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246818245 945496457 /nfs/dbraw/zinc/49/64/57/945496457.db2.gz BBXRLFFUFKDDLK-LBPRGKRZSA-N 1 3 300.397 0.496 20 0 DCADHO COc1ccnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246960448 945526254 /nfs/dbraw/zinc/52/62/54/945526254.db2.gz LCCCFLKRNHRBQZ-AWEZNQCLSA-N 1 3 317.437 0.306 20 0 DCADHO COc1ccnc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246960450 945527717 /nfs/dbraw/zinc/52/77/17/945527717.db2.gz LCCCFLKRNHRBQZ-CQSZACIVSA-N 1 3 317.437 0.306 20 0 DCADHO c1cnn(-c2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cn2)c1 ZINC001247834840 945575967 /nfs/dbraw/zinc/57/59/67/945575967.db2.gz KRPBKASCCGJZFD-GFCCVEGCSA-N 1 3 323.360 0.594 20 0 DCADHO COc1ccc(F)c(-c2noc(C34CNCC3C[NH2+]C4)n2)c1 ZINC001247849471 945577202 /nfs/dbraw/zinc/57/72/02/945577202.db2.gz DHEZDGYMKKYDDY-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO COc1cnc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c(C)c1 ZINC001247836467 945577228 /nfs/dbraw/zinc/57/72/28/945577228.db2.gz OSXHSNBTXUVTQL-NSHDSACASA-N 1 3 301.350 0.725 20 0 DCADHO COc1cccc(-c2noc(C34CNCC3C[NH2+]C4)n2)c1OC ZINC001247851903 945578094 /nfs/dbraw/zinc/57/80/94/945578094.db2.gz OWLARBALSRBMPE-UHFFFAOYSA-N 1 3 316.361 0.814 20 0 DCADHO COc1ccc(OC)c(-c2noc(C34CNCC3C[NH2+]C4)n2)c1 ZINC001247852904 945579147 /nfs/dbraw/zinc/57/91/47/945579147.db2.gz WSLSFDBNSYXKES-UHFFFAOYSA-N 1 3 316.361 0.814 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001273202508 945785691 /nfs/dbraw/zinc/78/56/91/945785691.db2.gz GNJCOHHPJSFHPD-GJZGRUSLSA-N 1 3 322.457 0.637 20 0 DCADHO COC(=O)[C@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001252437662 945929982 /nfs/dbraw/zinc/92/99/82/945929982.db2.gz WLWDDXMGHDYNQV-MRXNPFEDSA-N 1 3 321.421 0.058 20 0 DCADHO COC(=O)[C@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001252444675 945931496 /nfs/dbraw/zinc/93/14/96/945931496.db2.gz VHHUCZWQPAUVAD-OAHLLOKOSA-N 1 3 307.394 0.417 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320738074 946000280 /nfs/dbraw/zinc/00/02/80/946000280.db2.gz RFIRDYVVJPEZFD-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320738074 946000294 /nfs/dbraw/zinc/00/02/94/946000294.db2.gz RFIRDYVVJPEZFD-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCO)CCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001252951436 946038539 /nfs/dbraw/zinc/03/85/39/946038539.db2.gz MIXGPVXAJZCZHA-GOSISDBHSA-N 1 3 321.465 0.527 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001410215892 946049326 /nfs/dbraw/zinc/04/93/26/946049326.db2.gz HDYSUICOFNHJQZ-IHRRRGAJSA-N 1 3 310.442 0.219 20 0 DCADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001253204916 946092158 /nfs/dbraw/zinc/09/21/58/946092158.db2.gz YAYPZTUSQTYCNC-CABCVRRESA-N 1 3 307.438 0.535 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001253213378 946097019 /nfs/dbraw/zinc/09/70/19/946097019.db2.gz SZBMNRLHWAZGRF-HZPDHXFCSA-N 1 3 320.437 0.588 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](CO)Cc1ccc(OC)cc1 ZINC001253211434 946097077 /nfs/dbraw/zinc/09/70/77/946097077.db2.gz WGKXREDCOQIULZ-HZPDHXFCSA-N 1 3 310.438 0.891 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCc1ccnn1C ZINC001320997143 946105141 /nfs/dbraw/zinc/10/51/41/946105141.db2.gz HPQMSUVZYDSUQZ-JZIMQPMSSA-N 1 3 305.426 0.319 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCc1ccnn1C ZINC001320997139 946106216 /nfs/dbraw/zinc/10/62/16/946106216.db2.gz HPQMSUVZYDSUQZ-ABCZVMIZSA-N 1 3 305.426 0.319 20 0 DCADHO COCCCCN1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253398653 946115756 /nfs/dbraw/zinc/11/57/56/946115756.db2.gz YBGVBXXAUHKGLX-OAHLLOKOSA-N 1 3 301.475 0.780 20 0 DCADHO CCOC(=O)C[C@H](O)C[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001253811377 946191211 /nfs/dbraw/zinc/19/12/11/946191211.db2.gz DPWISZNLSOVNDN-KKUMJFAQSA-N 1 3 314.426 0.534 20 0 DCADHO CC(C)(C(=O)NC/C=C/CN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001321184026 946205268 /nfs/dbraw/zinc/20/52/68/946205268.db2.gz DUVCITRHXODRET-RDFMZFSFSA-N 1 3 322.453 0.401 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCN2CCCC2=O)C1 ZINC001321252758 946238701 /nfs/dbraw/zinc/23/87/01/946238701.db2.gz XIBTWRPYPYWOCB-XYBNCVKDSA-N 1 3 322.453 0.213 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001321253232 946238870 /nfs/dbraw/zinc/23/88/70/946238870.db2.gz UAONIUAMXUSINZ-BEVHLOIGSA-N 1 3 320.441 0.368 20 0 DCADHO CC(C)(C)OC(=O)Cc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164025 946326559 /nfs/dbraw/zinc/32/65/59/946326559.db2.gz FKGNWOPGACCLMX-UHFFFAOYSA-N 1 3 311.430 0.881 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCn1cccn1 ZINC001321513699 946359659 /nfs/dbraw/zinc/35/96/59/946359659.db2.gz FNZOQUIBSBEYOH-HUUCEWRRSA-N 1 3 307.442 0.850 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H]1CCc2ncnn21 ZINC001410451689 946396732 /nfs/dbraw/zinc/39/67/32/946396732.db2.gz NWWKSLDGTSKAKB-WCQYABFASA-N 1 3 317.397 0.168 20 0 DCADHO CCS(=O)(=O)N([C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(C)CC1 ZINC001254532397 946407403 /nfs/dbraw/zinc/40/74/03/946407403.db2.gz SCMZYVIBMRJNAE-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO CC(C)[C@H](NC(=O)[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)C(N)=O ZINC001255676872 946543192 /nfs/dbraw/zinc/54/31/92/946543192.db2.gz OLGIXMMCIFNQHR-MNFFZHCASA-N 1 3 324.469 0.606 20 0 DCADHO C[NH+]1CCC(N2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CC1 ZINC001256204312 946594850 /nfs/dbraw/zinc/59/48/50/946594850.db2.gz GHMUXYNBGFSVSO-NUEKZKHPSA-N 1 3 323.437 0.724 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001410851543 947029447 /nfs/dbraw/zinc/02/94/47/947029447.db2.gz ATXCMNYYZFUHST-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001410861589 947044971 /nfs/dbraw/zinc/04/49/71/947044971.db2.gz UFGOXIHKRAXNBJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001410864065 947047107 /nfs/dbraw/zinc/04/71/07/947047107.db2.gz SERYVZBSKZPELR-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)CN1C(=O)CN1CCCC1 ZINC001410900310 947106347 /nfs/dbraw/zinc/10/63/47/947106347.db2.gz ZXRKTSGFYPUUJX-KGLIPLIRSA-N 1 3 322.453 0.282 20 0 DCADHO Cn1cncc1CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001410966623 947175083 /nfs/dbraw/zinc/17/50/83/947175083.db2.gz APERIPQXMWKURB-CQSZACIVSA-N 1 3 307.442 0.698 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001411023898 947244073 /nfs/dbraw/zinc/24/40/73/947244073.db2.gz SNTAFHBDTMQUKF-INIZCTEOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](F)CNC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001411074933 947297789 /nfs/dbraw/zinc/29/77/89/947297789.db2.gz IVEKFILGOUBNCP-KBPBESRZSA-N 1 3 303.422 0.485 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O ZINC001324273483 947373020 /nfs/dbraw/zinc/37/30/20/947373020.db2.gz LQWVPMBLNQWMPN-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO CCN(C)[C@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001263211470 947820899 /nfs/dbraw/zinc/82/08/99/947820899.db2.gz QJDCNWJAEJWQLC-INIZCTEOSA-N 1 3 304.438 0.701 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H]1C ZINC001179534427 947854632 /nfs/dbraw/zinc/85/46/32/947854632.db2.gz LUZCGVVNVXVPCR-YDHLFZDLSA-N 1 3 322.453 0.328 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)[C@@H]1C)N(C)C ZINC001179549928 947868072 /nfs/dbraw/zinc/86/80/72/947868072.db2.gz NBCPXFANCURHNH-QEJZJMRPSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC(=O)NCCCCCC[NH2+]CC(N)=O)CC(C)(C)C ZINC001179592517 947872288 /nfs/dbraw/zinc/87/22/88/947872288.db2.gz FQGHADZJYRAQNQ-UHFFFAOYSA-N 1 3 314.474 0.716 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)COCC[NH3+])c2)CC1 ZINC001326040839 948030418 /nfs/dbraw/zinc/03/04/18/948030418.db2.gz FSSNOAKHMKLTBT-UHFFFAOYSA-N 1 3 320.437 0.026 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC001326183337 948085613 /nfs/dbraw/zinc/08/56/13/948085613.db2.gz PYIKTTWFPZFAJW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO COC(=O)[C@H](O)C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383175240 948739150 /nfs/dbraw/zinc/73/91/50/948739150.db2.gz FCDQJVUCEDDBLK-JKSUJKDBSA-N 1 3 306.406 0.974 20 0 DCADHO COC(=O)[C@H](O)C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000383175240 948739155 /nfs/dbraw/zinc/73/91/55/948739155.db2.gz FCDQJVUCEDDBLK-JKSUJKDBSA-N 1 3 306.406 0.974 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1C ZINC001328383554 948869014 /nfs/dbraw/zinc/86/90/14/948869014.db2.gz BSITWZYOPBETEW-KBPBESRZSA-N 1 3 312.458 0.053 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001488832380 949291515 /nfs/dbraw/zinc/29/15/15/949291515.db2.gz WRSRIBJYZMIWHR-JHJVBQTASA-N 1 3 310.442 0.090 20 0 DCADHO CC[NH+]1CCC(N2CCCN(C[C@@H]3CN(C)C(=O)O3)CC2)CC1 ZINC001364447149 949316979 /nfs/dbraw/zinc/31/69/79/949316979.db2.gz UHIXJLPZNUWJNY-INIZCTEOSA-N 1 3 324.469 0.929 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001488960622 949354728 /nfs/dbraw/zinc/35/47/28/949354728.db2.gz AAJLVWOBJBFWLY-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001489230589 949652253 /nfs/dbraw/zinc/65/22/53/949652253.db2.gz DINIOKQKKHZALO-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001489230589 949652265 /nfs/dbraw/zinc/65/22/65/949652265.db2.gz DINIOKQKKHZALO-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO Cc1noc(CCC[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001265508223 949734374 /nfs/dbraw/zinc/73/43/74/949734374.db2.gz AAGKXZFCDRRCOJ-HDJSIYSDSA-N 1 3 323.441 0.888 20 0 DCADHO CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001265882529 950086952 /nfs/dbraw/zinc/08/69/52/950086952.db2.gz VZOJOOXEFWKGFO-ZDUSSCGKSA-N 1 3 321.425 0.307 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001265932332 950158120 /nfs/dbraw/zinc/15/81/20/950158120.db2.gz KNSSTXCFKWTRDT-ZFWWWQNUSA-N 1 3 322.409 0.338 20 0 DCADHO O=C(C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)NC1CC1 ZINC000702627701 950336121 /nfs/dbraw/zinc/33/61/21/950336121.db2.gz FWFRVQYHIWJMEO-QGZVFWFLSA-N 1 3 303.406 0.492 20 0 DCADHO CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001266203290 950467065 /nfs/dbraw/zinc/46/70/65/950467065.db2.gz AXDSIGHIXBNEDL-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001266203290 950467076 /nfs/dbraw/zinc/46/70/76/950467076.db2.gz AXDSIGHIXBNEDL-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001279573370 950629547 /nfs/dbraw/zinc/62/95/47/950629547.db2.gz DIRRGPAJRXVVRP-CQSZACIVSA-N 1 3 301.406 0.407 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001279573370 950629555 /nfs/dbraw/zinc/62/95/55/950629555.db2.gz DIRRGPAJRXVVRP-CQSZACIVSA-N 1 3 301.406 0.407 20 0 DCADHO CC[C@@H](C)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001331056105 950861563 /nfs/dbraw/zinc/86/15/63/950861563.db2.gz IBKJDMUJHFGLTD-CQSZACIVSA-N 1 3 314.474 0.443 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC001331194958 951011840 /nfs/dbraw/zinc/01/18/40/951011840.db2.gz DHEHGBSWPSPKLJ-XJFOESAGSA-N 1 3 310.442 0.077 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](NCC(=O)NC)C2CC2)C1 ZINC001490698686 951052408 /nfs/dbraw/zinc/05/24/08/951052408.db2.gz KFAYZDLKYDXWIA-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](NCC(=O)NC)C2CC2)C1 ZINC001490698686 951052421 /nfs/dbraw/zinc/05/24/21/951052421.db2.gz KFAYZDLKYDXWIA-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC001365416877 951102361 /nfs/dbraw/zinc/10/23/61/951102361.db2.gz VSFLLHNTAKMOFS-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CO)[C@@H]1C ZINC001365416877 951102372 /nfs/dbraw/zinc/10/23/72/951102372.db2.gz VSFLLHNTAKMOFS-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@@H+](C4CC4)C3)C2=O)CC1 ZINC001274016622 951329505 /nfs/dbraw/zinc/32/95/05/951329505.db2.gz MVCCXUALRFZUMK-SFHVURJKSA-N 1 3 320.481 0.711 20 0 DCADHO CN1CCN(CCCN2CC[C@@]3(CC[N@H+](C4CC4)C3)C2=O)CC1 ZINC001274016622 951329513 /nfs/dbraw/zinc/32/95/13/951329513.db2.gz MVCCXUALRFZUMK-SFHVURJKSA-N 1 3 320.481 0.711 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001365821045 951583173 /nfs/dbraw/zinc/58/31/73/951583173.db2.gz OWRZVNJUTUXKFV-MELADBBJSA-N 1 3 305.426 0.974 20 0 DCADHO Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001365856140 951620110 /nfs/dbraw/zinc/62/01/10/951620110.db2.gz AATIODUEUDLERZ-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+]CCCF)CC1)N(C)C ZINC001274528250 951679502 /nfs/dbraw/zinc/67/95/02/951679502.db2.gz IJVZFZSXKDWDOA-AWEZNQCLSA-N 1 3 317.449 0.875 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001332946031 951861352 /nfs/dbraw/zinc/86/13/52/951861352.db2.gz RSWVUMXSCXHGEN-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO CN(CCOCC[NH2+]Cc1cccnc1)C(=O)[C@H]1CCCN1C ZINC001333245937 951971208 /nfs/dbraw/zinc/97/12/08/951971208.db2.gz PODIZTZGMMZVJL-MRXNPFEDSA-N 1 3 320.437 0.740 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC001275169123 951979810 /nfs/dbraw/zinc/97/98/10/951979810.db2.gz QSTPAUUHPZDEEG-HRCADAONSA-N 1 3 309.454 0.755 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC001275169123 951979819 /nfs/dbraw/zinc/97/98/19/951979819.db2.gz QSTPAUUHPZDEEG-HRCADAONSA-N 1 3 309.454 0.755 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCC)CC2)C1 ZINC001333955404 952208512 /nfs/dbraw/zinc/20/85/12/952208512.db2.gz DHJRWKOPVPWTTK-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H](N2CC=CC2)C1 ZINC001334246936 952269586 /nfs/dbraw/zinc/26/95/86/952269586.db2.gz LBWUOWPEXADFMP-STQMWFEESA-N 1 3 314.380 0.887 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412268356 952727266 /nfs/dbraw/zinc/72/72/66/952727266.db2.gz MYOVQZDEZHPSIG-QLFBSQMISA-N 1 3 324.469 0.685 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC001336733769 952758178 /nfs/dbraw/zinc/75/81/78/952758178.db2.gz SDZCROQRCFLGDC-MRXNPFEDSA-N 1 3 307.438 0.653 20 0 DCADHO COc1nccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)n1 ZINC001276098160 952915131 /nfs/dbraw/zinc/91/51/31/952915131.db2.gz ZXPCURMZTFDHNT-DZGCQCFKSA-N 1 3 305.426 0.553 20 0 DCADHO COc1nccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)n1 ZINC001276098160 952915133 /nfs/dbraw/zinc/91/51/33/952915133.db2.gz ZXPCURMZTFDHNT-DZGCQCFKSA-N 1 3 305.426 0.553 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001276180407 952980646 /nfs/dbraw/zinc/98/06/46/952980646.db2.gz YNUICFGLXCQDPR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1cn(C)cn1)CC2 ZINC001276271077 953044801 /nfs/dbraw/zinc/04/48/01/953044801.db2.gz KZHYOFUITUOXCG-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1cn(C)cn1)CC2 ZINC001276271077 953044804 /nfs/dbraw/zinc/04/48/04/953044804.db2.gz KZHYOFUITUOXCG-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1cncnc1)CC2 ZINC001276303873 953138999 /nfs/dbraw/zinc/13/89/99/953138999.db2.gz RWRSHPDNYZOHCS-UHFFFAOYSA-N 1 3 317.437 0.853 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1cncnc1)CC2 ZINC001276303873 953139003 /nfs/dbraw/zinc/13/90/03/953139003.db2.gz RWRSHPDNYZOHCS-UHFFFAOYSA-N 1 3 317.437 0.853 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001340965760 953205807 /nfs/dbraw/zinc/20/58/07/953205807.db2.gz GADRPHKIHPHUFI-RRFJBIMHSA-N 1 3 323.437 0.518 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001341734273 953248161 /nfs/dbraw/zinc/24/81/61/953248161.db2.gz UXLVOLCTOQXAHO-OAHLLOKOSA-N 1 3 308.470 0.520 20 0 DCADHO [NH3+]CCOCC(=O)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC001341999878 953263788 /nfs/dbraw/zinc/26/37/88/953263788.db2.gz ISPKVQASGMTBMB-KBPBESRZSA-N 1 3 319.405 0.471 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001343392481 953343476 /nfs/dbraw/zinc/34/34/76/953343476.db2.gz BICWUHUWEZOUSS-BARDWOONSA-N 1 3 315.458 0.208 20 0 DCADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001365887116 953363418 /nfs/dbraw/zinc/36/34/18/953363418.db2.gz HWSRDWXARYISNR-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001366043634 953615968 /nfs/dbraw/zinc/61/59/68/953615968.db2.gz PMZQJNKPVFJIIJ-ZIAGYGMSSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001366043634 953615975 /nfs/dbraw/zinc/61/59/75/953615975.db2.gz PMZQJNKPVFJIIJ-ZIAGYGMSSA-N 1 3 310.442 0.077 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)n[nH]1 ZINC001366103883 953690280 /nfs/dbraw/zinc/69/02/80/953690280.db2.gz LPMLOVSCFYQDBQ-AWEZNQCLSA-N 1 3 320.441 0.680 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001366126993 953719853 /nfs/dbraw/zinc/71/98/53/953719853.db2.gz PCEQDGKVZXAFES-SYQHCUMBSA-N 1 3 310.442 0.184 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN(CCN2CCCC2=O)C1 ZINC001366180440 953783647 /nfs/dbraw/zinc/78/36/47/953783647.db2.gz OJAMIYADKNIJSG-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001366283893 953954543 /nfs/dbraw/zinc/95/45/43/953954543.db2.gz GSIKZXALSVMQRF-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001366321003 954020912 /nfs/dbraw/zinc/02/09/12/954020912.db2.gz JTFJEBDATYKOAR-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001366321003 954020922 /nfs/dbraw/zinc/02/09/22/954020922.db2.gz JTFJEBDATYKOAR-AVGNSLFASA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001366349436 954073029 /nfs/dbraw/zinc/07/30/29/954073029.db2.gz BXZYVCLSJMKAMZ-VXGBXAGGSA-N 1 3 300.447 0.336 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)CCC[NH+]2CCCCC2)n[nH]1 ZINC001366364696 954102399 /nfs/dbraw/zinc/10/23/99/954102399.db2.gz LDKXGVCCTQHEKD-CYBMUJFWSA-N 1 3 322.457 0.974 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001366367286 954106431 /nfs/dbraw/zinc/10/64/31/954106431.db2.gz NYTVMHSFMRKSPP-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001366380750 954126375 /nfs/dbraw/zinc/12/63/75/954126375.db2.gz AAYZCCSJTKLGQH-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001366380750 954126380 /nfs/dbraw/zinc/12/63/80/954126380.db2.gz AAYZCCSJTKLGQH-LSDHHAIUSA-N 1 3 322.453 0.330 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366384417 954131207 /nfs/dbraw/zinc/13/12/07/954131207.db2.gz VHIXGYQICSXCGI-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001366384417 954131212 /nfs/dbraw/zinc/13/12/12/954131212.db2.gz VHIXGYQICSXCGI-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366405187 954159460 /nfs/dbraw/zinc/15/94/60/954159460.db2.gz DJTZRTWBBMHHME-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001283256979 954194244 /nfs/dbraw/zinc/19/42/44/954194244.db2.gz XEEVPEFQKTVRHZ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001283256979 954194254 /nfs/dbraw/zinc/19/42/54/954194254.db2.gz XEEVPEFQKTVRHZ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366438827 954195396 /nfs/dbraw/zinc/19/53/96/954195396.db2.gz RLWNASSWPMWFME-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001366502687 954286656 /nfs/dbraw/zinc/28/66/56/954286656.db2.gz APYLOLKOHZFVPQ-UKRRQHHQSA-N 1 3 322.453 0.710 20 0 DCADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@H]1CCCN1C ZINC001283637399 954503526 /nfs/dbraw/zinc/50/35/26/954503526.db2.gz XLVXCEXJNDSWOP-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283928488 954721115 /nfs/dbraw/zinc/72/11/15/954721115.db2.gz SBXQFGZPSLZOMB-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001446945648 1013128341 /nfs/dbraw/zinc/12/83/41/1013128341.db2.gz NXSCFZOQDFMTTJ-KBPBESRZSA-N 1 3 322.457 0.482 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1C ZINC001284029289 954793524 /nfs/dbraw/zinc/79/35/24/954793524.db2.gz DNFMNBUTIMTFIU-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001366771564 954816918 /nfs/dbraw/zinc/81/69/18/954816918.db2.gz PWIQCCGLFCCHHX-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001366771564 954816932 /nfs/dbraw/zinc/81/69/32/954816932.db2.gz PWIQCCGLFCCHHX-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001366771558 954819358 /nfs/dbraw/zinc/81/93/58/954819358.db2.gz PWIQCCGLFCCHHX-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001366771558 954819370 /nfs/dbraw/zinc/81/93/70/954819370.db2.gz PWIQCCGLFCCHHX-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001366773681 954821296 /nfs/dbraw/zinc/82/12/96/954821296.db2.gz BLOSMLKEGDFBEU-QWHCGFSZSA-N 1 3 300.447 0.097 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366833240 954906405 /nfs/dbraw/zinc/90/64/05/954906405.db2.gz JFZWCCVITOXEOM-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001366837413 954912987 /nfs/dbraw/zinc/91/29/87/954912987.db2.gz UMDMGAFDJWYYHI-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C[C@H](O)CNC/C=C/Cl)C(=O)C1(C[NH+](C)C)CC1 ZINC001284444299 955097457 /nfs/dbraw/zinc/09/74/57/955097457.db2.gz IHLDDIIHDWMIFN-RPTYSRGTSA-N 1 3 303.834 0.490 20 0 DCADHO CC[C@H](C(=O)NCC1=CC[N@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001284976411 955378356 /nfs/dbraw/zinc/37/83/56/955378356.db2.gz HJGZRMFFSJMQRC-HUUCEWRRSA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@H](C(=O)NCC1=CC[N@@H+](C[C@@H](O)COC)CC1)N(C)C ZINC001284976411 955378368 /nfs/dbraw/zinc/37/83/68/955378368.db2.gz HJGZRMFFSJMQRC-HUUCEWRRSA-N 1 3 313.442 0.082 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001367237357 955502609 /nfs/dbraw/zinc/50/26/09/955502609.db2.gz AEOBLFZMONQBAI-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1)N(C)C ZINC001367325891 955647537 /nfs/dbraw/zinc/64/75/37/955647537.db2.gz ZTGRBJDVKWHHHW-STQMWFEESA-N 1 3 310.442 0.234 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)CC(C)(C)C ZINC001416060604 956255006 /nfs/dbraw/zinc/25/50/06/956255006.db2.gz TYUQFIRBFBZAFG-CYBMUJFWSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC001416060604 956255019 /nfs/dbraw/zinc/25/50/19/956255019.db2.gz TYUQFIRBFBZAFG-CYBMUJFWSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001357931540 957405334 /nfs/dbraw/zinc/40/53/34/957405334.db2.gz GLDHJUCHKMQCBS-AATRIKPKSA-N 1 3 324.469 0.459 20 0 DCADHO Cn1nccc1CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001367554276 958027955 /nfs/dbraw/zinc/02/79/55/958027955.db2.gz JJNUADPBPDRTSA-ZBFHGGJFSA-N 1 3 319.453 0.795 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@H](O)CNCc1cccnc1 ZINC001367634462 958230557 /nfs/dbraw/zinc/23/05/57/958230557.db2.gz YYBITSWZVJYATD-MRXNPFEDSA-N 1 3 320.437 0.524 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367677367 958340467 /nfs/dbraw/zinc/34/04/67/958340467.db2.gz QVKREPAGADUTCC-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001367740892 958478823 /nfs/dbraw/zinc/47/88/23/958478823.db2.gz ODIVWABVOMHYGK-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001298412334 958589651 /nfs/dbraw/zinc/58/96/51/958589651.db2.gz FIOSGKWEFJTSBH-CNBITHIKSA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001298412334 958589666 /nfs/dbraw/zinc/58/96/66/958589666.db2.gz FIOSGKWEFJTSBH-CNBITHIKSA-N 1 3 324.469 0.313 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367849539 958705709 /nfs/dbraw/zinc/70/57/09/958705709.db2.gz MGASHEVDXIFBRM-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367849539 958705723 /nfs/dbraw/zinc/70/57/23/958705723.db2.gz MGASHEVDXIFBRM-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001367914822 958854530 /nfs/dbraw/zinc/85/45/30/958854530.db2.gz XAIWZVKGKMLAKE-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001367966788 958974422 /nfs/dbraw/zinc/97/44/22/958974422.db2.gz ANPVAESNGGCUMO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001367966788 958974430 /nfs/dbraw/zinc/97/44/30/958974430.db2.gz ANPVAESNGGCUMO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]CCCN1CCCC1=O ZINC001491654578 959082406 /nfs/dbraw/zinc/08/24/06/959082406.db2.gz MKSYYNOKHCIMGE-LBPRGKRZSA-N 1 3 321.425 0.367 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@@H]2CCNC(=O)CC2)CC1)N(C)C ZINC001368029527 959122805 /nfs/dbraw/zinc/12/28/05/959122805.db2.gz RLMOHLJYBVFHTG-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001376917466 959132951 /nfs/dbraw/zinc/13/29/51/959132951.db2.gz FJLXJKKWOXBTGD-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491752116 959184740 /nfs/dbraw/zinc/18/47/40/959184740.db2.gz LZHIZBNLHHOLTE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001491752116 959184753 /nfs/dbraw/zinc/18/47/53/959184753.db2.gz LZHIZBNLHHOLTE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCCN(C)[C@H]1CCCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001376974112 959236432 /nfs/dbraw/zinc/23/64/32/959236432.db2.gz XRHAKKCKWZPJCR-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001368132489 959299390 /nfs/dbraw/zinc/29/93/90/959299390.db2.gz JPDNSRGQXAELFW-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCC1 ZINC001368139272 959308601 /nfs/dbraw/zinc/30/86/01/959308601.db2.gz MEVGKNUWNVURBU-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001368139272 959308618 /nfs/dbraw/zinc/30/86/18/959308618.db2.gz MEVGKNUWNVURBU-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001368139272 959308636 /nfs/dbraw/zinc/30/86/36/959308636.db2.gz MEVGKNUWNVURBU-HUUCEWRRSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC001491859110 959316004 /nfs/dbraw/zinc/31/60/04/959316004.db2.gz POXXKYWRTMXYET-CQSZACIVSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCOC(C)C)C1)N(C)C ZINC001368264015 959560816 /nfs/dbraw/zinc/56/08/16/959560816.db2.gz VFYCDHOWDYYKNV-HOCLYGCPSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCOC(C)C)C1)N(C)C ZINC001368264015 959560854 /nfs/dbraw/zinc/56/08/54/959560854.db2.gz VFYCDHOWDYYKNV-HOCLYGCPSA-N 1 3 315.458 0.305 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001377256360 959804457 /nfs/dbraw/zinc/80/44/57/959804457.db2.gz DHYATXWDUPUWSJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001377283638 959852367 /nfs/dbraw/zinc/85/23/67/959852367.db2.gz LRHIKPYFKLWWDI-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001368504936 959949962 /nfs/dbraw/zinc/94/99/62/959949962.db2.gz LQTAOHHREVZXNA-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C[NH2+]CCF ZINC001316692398 960048427 /nfs/dbraw/zinc/04/84/27/960048427.db2.gz UISUHXPTRGZVDS-HZSPNIEDSA-N 1 3 303.422 0.749 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1CCc1ccnn1C ZINC001377421328 960068241 /nfs/dbraw/zinc/06/82/41/960068241.db2.gz YRXUNMMGFNPXBF-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1CCc1ccnn1C ZINC001377421328 960068249 /nfs/dbraw/zinc/06/82/49/960068249.db2.gz YRXUNMMGFNPXBF-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC/C=C/Cl)C1 ZINC001368617066 960094331 /nfs/dbraw/zinc/09/43/31/960094331.db2.gz BHCLXUQTNMMAGA-GBXSZLQWSA-N 1 3 303.834 0.634 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1)C(N)=O ZINC001368644939 960115538 /nfs/dbraw/zinc/11/55/38/960115538.db2.gz VVIYBWJBXJFDTP-MJBXVCDLSA-N 1 3 312.458 0.465 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cncn2C)C1 ZINC001368651066 960122459 /nfs/dbraw/zinc/12/24/59/960122459.db2.gz FJKDVFJODAREPB-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cncn2C)C1 ZINC001368651066 960122465 /nfs/dbraw/zinc/12/24/65/960122465.db2.gz FJKDVFJODAREPB-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001368670685 960142389 /nfs/dbraw/zinc/14/23/89/960142389.db2.gz YCNHFUAMPZBOTE-ILXRZTDVSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001368670685 960142394 /nfs/dbraw/zinc/14/23/94/960142394.db2.gz YCNHFUAMPZBOTE-ILXRZTDVSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001377488351 960177930 /nfs/dbraw/zinc/17/79/30/960177930.db2.gz JNOPZLYUDOHSHM-MJBXVCDLSA-N 1 3 322.457 0.590 20 0 DCADHO CCN(CC(=O)NC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368774821 960253864 /nfs/dbraw/zinc/25/38/64/960253864.db2.gz GRKFEVOAKPDUQY-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC(=O)NC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001368774821 960253872 /nfs/dbraw/zinc/25/38/72/960253872.db2.gz GRKFEVOAKPDUQY-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001377580772 960313792 /nfs/dbraw/zinc/31/37/92/960313792.db2.gz MNLFSRGYAAZSAU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001377580772 960313805 /nfs/dbraw/zinc/31/38/05/960313805.db2.gz MNLFSRGYAAZSAU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001377593799 960334997 /nfs/dbraw/zinc/33/49/97/960334997.db2.gz KXLOMUIWVMOZRT-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001378304187 960538324 /nfs/dbraw/zinc/53/83/24/960538324.db2.gz QFSWNKJDPRDRMJ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)C ZINC001378312912 960561540 /nfs/dbraw/zinc/56/15/40/960561540.db2.gz BWSJWUXLFIIVHP-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)C ZINC001378312912 960561552 /nfs/dbraw/zinc/56/15/52/960561552.db2.gz BWSJWUXLFIIVHP-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H]([NH2+]CC1(NC(=O)CN(C)C(C)C)CCCC1)C(N)=O ZINC001378366378 960658670 /nfs/dbraw/zinc/65/86/70/960658670.db2.gz AIRNHDPJONHVJA-ZDUSSCGKSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001377788189 960659558 /nfs/dbraw/zinc/65/95/58/960659558.db2.gz IZSNYBLELPGZQQ-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001377788189 960659570 /nfs/dbraw/zinc/65/95/70/960659570.db2.gz IZSNYBLELPGZQQ-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001377791705 960667580 /nfs/dbraw/zinc/66/75/80/960667580.db2.gz YEYZASCDBXQJHI-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCCNC2=O)C1 ZINC001377791705 960667600 /nfs/dbraw/zinc/66/76/00/960667600.db2.gz YEYZASCDBXQJHI-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001378377261 960670201 /nfs/dbraw/zinc/67/02/01/960670201.db2.gz YQSROAUPDNXODK-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001378435877 960752378 /nfs/dbraw/zinc/75/23/78/960752378.db2.gz CJQPDBJAMRQORP-AJNGGQMLSA-N 1 3 324.469 0.478 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)Cc1nc[nH]c1C ZINC001378463714 960795713 /nfs/dbraw/zinc/79/57/13/960795713.db2.gz FLHCOHASAJZUDV-ZDUSSCGKSA-N 1 3 321.425 0.320 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CNC(=O)Cc1nc[nH]c1C ZINC001378463714 960795725 /nfs/dbraw/zinc/79/57/25/960795725.db2.gz FLHCOHASAJZUDV-ZDUSSCGKSA-N 1 3 321.425 0.320 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001378554041 961000146 /nfs/dbraw/zinc/00/01/46/961000146.db2.gz RXQOUNSBPZPUDL-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](CC3CCOCC3)C2)CCC1 ZINC001377976669 961104397 /nfs/dbraw/zinc/10/43/97/961104397.db2.gz QIEXMLZNQLRDDH-UHFFFAOYSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](NCc1cccnc1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001378760911 961424817 /nfs/dbraw/zinc/42/48/17/961424817.db2.gz LXFKXOFOSUSVEI-HOCLYGCPSA-N 1 3 320.437 0.739 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001378775712 961454263 /nfs/dbraw/zinc/45/42/63/961454263.db2.gz NCMWKYANJLVMDK-QWHCGFSZSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCc1ccnn1C ZINC001378120387 961470049 /nfs/dbraw/zinc/47/00/49/961470049.db2.gz GEAYMDUITHPSGJ-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCn1cccn1 ZINC001378122799 961474876 /nfs/dbraw/zinc/47/48/76/961474876.db2.gz NSZLISQMROFEDH-AWEZNQCLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](NC[C@@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001378815471 961532976 /nfs/dbraw/zinc/53/29/76/961532976.db2.gz KEAOXRBXZWSNJG-CHWSQXEVSA-N 1 3 320.437 0.672 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001378841886 961580922 /nfs/dbraw/zinc/58/09/22/961580922.db2.gz FQBHZOYZZXHUMB-HDJSIYSDSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001378844148 961588222 /nfs/dbraw/zinc/58/82/22/961588222.db2.gz LHWUHWKAVYUOGU-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001378854266 961610279 /nfs/dbraw/zinc/61/02/79/961610279.db2.gz WJOSVBLPXHKJSH-UBHSHLNASA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](C(N)=O)N(C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001378914674 961701087 /nfs/dbraw/zinc/70/10/87/961701087.db2.gz FHTNLBPKRNALIC-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](C(N)=O)N(C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001378914674 961701103 /nfs/dbraw/zinc/70/11/03/961701103.db2.gz FHTNLBPKRNALIC-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001430251154 1013289035 /nfs/dbraw/zinc/28/90/35/1013289035.db2.gz FTGMWXVALOMQFK-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001430251154 1013289040 /nfs/dbraw/zinc/28/90/40/1013289040.db2.gz FTGMWXVALOMQFK-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CN1CCOCC1)C[N@@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC001363785090 961877297 /nfs/dbraw/zinc/87/72/97/961877297.db2.gz MAWMKSWNANGFDV-JKSUJKDBSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H](CN1CCOCC1)C[N@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC001363785090 961877316 /nfs/dbraw/zinc/87/73/16/961877316.db2.gz MAWMKSWNANGFDV-JKSUJKDBSA-N 1 3 313.486 0.732 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001379132034 962167582 /nfs/dbraw/zinc/16/75/82/962167582.db2.gz OFWOIDRLDHCJTC-NQBHXWOUSA-N 1 3 308.430 0.390 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001379132034 962167593 /nfs/dbraw/zinc/16/75/93/962167593.db2.gz OFWOIDRLDHCJTC-NQBHXWOUSA-N 1 3 308.430 0.390 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001379862340 962170320 /nfs/dbraw/zinc/17/03/20/962170320.db2.gz UUBZRDWDTDWLLS-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001379862340 962170327 /nfs/dbraw/zinc/17/03/27/962170327.db2.gz UUBZRDWDTDWLLS-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)cn1 ZINC001379889078 962223458 /nfs/dbraw/zinc/22/34/58/962223458.db2.gz BBXAQMYZAURVKW-INIZCTEOSA-N 1 3 319.453 0.746 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001379940681 962343657 /nfs/dbraw/zinc/34/36/57/962343657.db2.gz SDNPODQCCRYWJA-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001379940681 962343681 /nfs/dbraw/zinc/34/36/81/962343681.db2.gz SDNPODQCCRYWJA-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)CC[C@@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001379970247 962420758 /nfs/dbraw/zinc/42/07/58/962420758.db2.gz YNTFUWLPVPKFNO-GJZGRUSLSA-N 1 3 324.425 0.272 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001379970247 962420770 /nfs/dbraw/zinc/42/07/70/962420770.db2.gz YNTFUWLPVPKFNO-GJZGRUSLSA-N 1 3 324.425 0.272 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001379238807 962436691 /nfs/dbraw/zinc/43/66/91/962436691.db2.gz FWPGKLBKVLQHKH-KOLCDFICSA-N 1 3 322.331 0.702 20 0 DCADHO CC[C@@H](F)CNC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001447285134 1013345720 /nfs/dbraw/zinc/34/57/20/1013345720.db2.gz ZPYLPRQLIBXJSM-ZIAGYGMSSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001380176843 962831767 /nfs/dbraw/zinc/83/17/67/962831767.db2.gz XHCDNNLADFRVBT-HSBZDZAISA-N 1 3 310.442 0.138 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC2(C1)CCN([C@@H]1CCNC1=O)CC2 ZINC001380204364 962858743 /nfs/dbraw/zinc/85/87/43/962858743.db2.gz SUXMCZZYBDMQKN-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCc1nc([C@H](C)NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001379424046 962889843 /nfs/dbraw/zinc/88/98/43/962889843.db2.gz ZODPUBPNOJPYKV-NEPJUHHUSA-N 1 3 322.457 0.864 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)CN2CCCC2)C1 ZINC001379441585 962930394 /nfs/dbraw/zinc/93/03/94/962930394.db2.gz RZNYEVIQPZAJMY-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001379465087 962983795 /nfs/dbraw/zinc/98/37/95/962983795.db2.gz OVFBVBHRUWIHOY-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001380283797 962990250 /nfs/dbraw/zinc/99/02/50/962990250.db2.gz NVSJCIHPNGXZRV-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H]2CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001380292641 962999976 /nfs/dbraw/zinc/99/99/76/962999976.db2.gz RCRIVCYRVDSZRJ-DGCLKSJQSA-N 1 3 308.430 0.706 20 0 DCADHO CC[C@@H](C(=O)NC1(C)CC[NH+](C[C@@H](O)COC)CC1)N(C)C ZINC001380310251 963024305 /nfs/dbraw/zinc/02/43/05/963024305.db2.gz YREPQQVVPNAXGR-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001380330388 963045185 /nfs/dbraw/zinc/04/51/85/963045185.db2.gz VJOARLQUTGXIQC-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001380330388 963045195 /nfs/dbraw/zinc/04/51/95/963045195.db2.gz VJOARLQUTGXIQC-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001379543152 963161819 /nfs/dbraw/zinc/16/18/19/963161819.db2.gz UJMGXTIDXPIRJD-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)CCC[NH+]1CCCCC1 ZINC001379591283 963232270 /nfs/dbraw/zinc/23/22/70/963232270.db2.gz IWYYULBKCOBULX-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCC2CC2)C1)N(C)C ZINC001380540373 963328216 /nfs/dbraw/zinc/32/82/16/963328216.db2.gz VRAXPLKKKGDJMR-RDJZCZTQSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1)N(C)C ZINC001380540373 963328225 /nfs/dbraw/zinc/32/82/25/963328225.db2.gz VRAXPLKKKGDJMR-RDJZCZTQSA-N 1 3 311.470 0.926 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNCc2cnns2)C1 ZINC001379677859 963374692 /nfs/dbraw/zinc/37/46/92/963374692.db2.gz OJRMDMWYBBAPBS-RYUDHWBXSA-N 1 3 311.455 0.864 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001379700844 963401154 /nfs/dbraw/zinc/40/11/54/963401154.db2.gz VSRIXQSNYOGBPX-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC(=O)N(C)C)C1 ZINC001381277079 963936026 /nfs/dbraw/zinc/93/60/26/963936026.db2.gz YDQPNFQBGIDBDI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001375131988 964024560 /nfs/dbraw/zinc/02/45/60/964024560.db2.gz GJNGJIHZTDBLEQ-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001375131988 964024571 /nfs/dbraw/zinc/02/45/71/964024571.db2.gz GJNGJIHZTDBLEQ-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001381388895 964043946 /nfs/dbraw/zinc/04/39/46/964043946.db2.gz AVJSVWKFZVQCHL-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001375215310 964135918 /nfs/dbraw/zinc/13/59/18/964135918.db2.gz QFLPKZZPXQOQSC-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccnn1C)N(C)C ZINC001368975916 964223597 /nfs/dbraw/zinc/22/35/97/964223597.db2.gz HICVIQNGPZLWGG-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001368975916 964223610 /nfs/dbraw/zinc/22/36/10/964223610.db2.gz HICVIQNGPZLWGG-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001369154542 964464112 /nfs/dbraw/zinc/46/41/12/964464112.db2.gz FDIMHRVNMJJHFJ-MELADBBJSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001369154542 964464120 /nfs/dbraw/zinc/46/41/20/964464120.db2.gz FDIMHRVNMJJHFJ-MELADBBJSA-N 1 3 310.442 0.030 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1)C1CCC1 ZINC001369170533 964483264 /nfs/dbraw/zinc/48/32/64/964483264.db2.gz ZYWBZYGDFTZZGD-HZSPNIEDSA-N 1 3 322.453 0.173 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1)C1CCC1 ZINC001369170533 964483270 /nfs/dbraw/zinc/48/32/70/964483270.db2.gz ZYWBZYGDFTZZGD-HZSPNIEDSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001369184063 964499907 /nfs/dbraw/zinc/49/99/07/964499907.db2.gz BTWRZCZURQBEED-JOCQHMNTSA-N 1 3 308.430 0.140 20 0 DCADHO Cc1nc(CNC[C@H](C2CC2)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001369222216 964544709 /nfs/dbraw/zinc/54/47/09/964544709.db2.gz LTQBVKKOTVQCSI-ZIAGYGMSSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CNC[C@H](C2CC2)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001369222216 964544712 /nfs/dbraw/zinc/54/47/12/964544712.db2.gz LTQBVKKOTVQCSI-ZIAGYGMSSA-N 1 3 320.441 0.391 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001369316546 964723782 /nfs/dbraw/zinc/72/37/82/964723782.db2.gz WTWMXEDNEVKFNX-QWHCGFSZSA-N 1 3 312.458 0.430 20 0 DCADHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]CC(N)=O)CCCC[C@H]1C ZINC001373905790 964771128 /nfs/dbraw/zinc/77/11/28/964771128.db2.gz ULLQONKYRQAFAP-CZUORRHYSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCC(C)CC1 ZINC001369397084 964893605 /nfs/dbraw/zinc/89/36/05/964893605.db2.gz VGCADKIUVHMKEH-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001369397209 964893782 /nfs/dbraw/zinc/89/37/82/964893782.db2.gz FDRUEHLGZUFFPV-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(C)C)C[C@@H]1C ZINC001369409322 964923286 /nfs/dbraw/zinc/92/32/86/964923286.db2.gz VYMKNHRBRGXEEL-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001375895891 964963742 /nfs/dbraw/zinc/96/37/42/964963742.db2.gz KDUILAQELCNGHA-RHSMWYFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C(C)(C)C1 ZINC001369438834 964974431 /nfs/dbraw/zinc/97/44/31/964974431.db2.gz DBGKPKXPOLCHSJ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C(C)(C)C1 ZINC001369438834 964974446 /nfs/dbraw/zinc/97/44/46/964974446.db2.gz DBGKPKXPOLCHSJ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)CNCc1ccn(C)n1)[NH+](C)C ZINC001374096326 965009223 /nfs/dbraw/zinc/00/92/23/965009223.db2.gz GETQOEHZZZGTDJ-ZFWWWQNUSA-N 1 3 309.458 0.848 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)C1=O ZINC001374111811 965025822 /nfs/dbraw/zinc/02/58/22/965025822.db2.gz FWNUGLZFDHJSJM-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]C[C@@H](C)O)CCOCC1)N(C)C ZINC001375974475 965030307 /nfs/dbraw/zinc/03/03/07/965030307.db2.gz YRVBYHACYCTECY-KGLIPLIRSA-N 1 3 315.458 0.208 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001375987462 965043718 /nfs/dbraw/zinc/04/37/18/965043718.db2.gz ICXFBVBBEFZLEB-CYBMUJFWSA-N 1 3 321.412 0.784 20 0 DCADHO C[C@@H](F)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515617 965122305 /nfs/dbraw/zinc/12/23/05/965122305.db2.gz YKZCLBWDCYQYTC-ZIAGYGMSSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@@H](F)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515617 965122313 /nfs/dbraw/zinc/12/23/13/965122313.db2.gz YKZCLBWDCYQYTC-ZIAGYGMSSA-N 1 3 317.449 0.970 20 0 DCADHO C[C@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C(C)(C)C)C(N)=O ZINC001369550742 965164685 /nfs/dbraw/zinc/16/46/85/965164685.db2.gz UYLJJLXGGCNFAR-NWDGAFQWSA-N 1 3 312.458 0.465 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C ZINC001369564281 965176090 /nfs/dbraw/zinc/17/60/90/965176090.db2.gz YSEAMLVJNPHTFG-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374281094 965220772 /nfs/dbraw/zinc/22/07/72/965220772.db2.gz NIRUSGARQJWVJU-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374281094 965220779 /nfs/dbraw/zinc/22/07/79/965220779.db2.gz NIRUSGARQJWVJU-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374287564 965230485 /nfs/dbraw/zinc/23/04/85/965230485.db2.gz NOIFJFOVVPOCKE-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001374289994 965232416 /nfs/dbraw/zinc/23/24/16/965232416.db2.gz YHJRBINELGAEAD-QWHCGFSZSA-N 1 3 312.458 0.241 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001369755556 965359012 /nfs/dbraw/zinc/35/90/12/965359012.db2.gz GQCDEDVYZNOSQM-HUUCEWRRSA-N 1 3 313.442 0.011 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2ccnn2C)C2CC2)CCC1 ZINC001376219795 965397583 /nfs/dbraw/zinc/39/75/83/965397583.db2.gz UEVLYTBKJREYOR-HNNXBMFYSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cncn1C)C1CC1)N(C)C ZINC001376261625 965451752 /nfs/dbraw/zinc/45/17/52/965451752.db2.gz MRMAOVSRRJTTPE-GJZGRUSLSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001374544669 965506891 /nfs/dbraw/zinc/50/68/91/965506891.db2.gz UQOHLDZSRKITGR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376332995 965534455 /nfs/dbraw/zinc/53/44/55/965534455.db2.gz RELQUKDWZCEVCD-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCCC[NH+]1CCN(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001369910683 965554516 /nfs/dbraw/zinc/55/45/16/965554516.db2.gz CUMIHZVQALAKDO-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)cn1 ZINC001376351386 965557936 /nfs/dbraw/zinc/55/79/36/965557936.db2.gz FUGPLJYOGYSYPJ-INIZCTEOSA-N 1 3 321.469 0.976 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1CNCc1nccn1C ZINC001376357383 965561750 /nfs/dbraw/zinc/56/17/50/965561750.db2.gz AQZVPBQSQZJGOQ-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001374672628 965737372 /nfs/dbraw/zinc/73/73/72/965737372.db2.gz QPBDWLPZGYVNMU-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001374672626 965737802 /nfs/dbraw/zinc/73/78/02/965737802.db2.gz QPBDWLPZGYVNMU-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001370112421 965786853 /nfs/dbraw/zinc/78/68/53/965786853.db2.gz FXXVMBOHMNLIGT-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001370112421 965786862 /nfs/dbraw/zinc/78/68/62/965786862.db2.gz FXXVMBOHMNLIGT-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001374711589 965797255 /nfs/dbraw/zinc/79/72/55/965797255.db2.gz GWVZQXMJZWZCJE-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001374711589 965797266 /nfs/dbraw/zinc/79/72/66/965797266.db2.gz GWVZQXMJZWZCJE-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001376550983 965819149 /nfs/dbraw/zinc/81/91/49/965819149.db2.gz YMMNEBSAMFKDCQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001374759619 965876924 /nfs/dbraw/zinc/87/69/24/965876924.db2.gz VPKHLRMMIYMQPE-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001376613028 965893009 /nfs/dbraw/zinc/89/30/09/965893009.db2.gz LXRHMOISAFZOPM-GOEBONIOSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001376741451 966103307 /nfs/dbraw/zinc/10/33/07/966103307.db2.gz BDBYSUKQCNMVOL-DOMZBBRYSA-N 1 3 307.442 0.966 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001374896687 966109873 /nfs/dbraw/zinc/10/98/73/966109873.db2.gz MPUNOUGRVOTDGZ-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001370676811 966365483 /nfs/dbraw/zinc/36/54/83/966365483.db2.gz KKBVGCTYPRCHBV-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001370713988 966407854 /nfs/dbraw/zinc/40/78/54/966407854.db2.gz QMPOAVCNIAMQLS-QLFBSQMISA-N 1 3 307.442 0.806 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001381961794 966818666 /nfs/dbraw/zinc/81/86/66/966818666.db2.gz JVRNGHSRCNCLLZ-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001381962382 966818783 /nfs/dbraw/zinc/81/87/83/966818783.db2.gz MNCBJKSAMMJMNS-YDHLFZDLSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381974857 966834369 /nfs/dbraw/zinc/83/43/69/966834369.db2.gz PBGDEAUHOUINLN-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381974857 966834378 /nfs/dbraw/zinc/83/43/78/966834378.db2.gz PBGDEAUHOUINLN-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001381988450 966845706 /nfs/dbraw/zinc/84/57/06/966845706.db2.gz IWVOKKGEAJVHCT-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001381988450 966845714 /nfs/dbraw/zinc/84/57/14/966845714.db2.gz IWVOKKGEAJVHCT-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001382062105 966904194 /nfs/dbraw/zinc/90/41/94/966904194.db2.gz ANGUBTVVTFUZOV-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382062105 966904199 /nfs/dbraw/zinc/90/41/99/966904199.db2.gz ANGUBTVVTFUZOV-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001371428792 966985255 /nfs/dbraw/zinc/98/52/55/966985255.db2.gz NILOOUXFAYRACD-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001382153267 966987955 /nfs/dbraw/zinc/98/79/55/966987955.db2.gz NLRFHDAUDBJPBI-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCc2ncnn21 ZINC001371473667 967023668 /nfs/dbraw/zinc/02/36/68/967023668.db2.gz KQCXWEXVSXBBRJ-CHWSQXEVSA-N 1 3 308.430 0.200 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001371545031 967106186 /nfs/dbraw/zinc/10/61/86/967106186.db2.gz UWIMUUBDLYQMQJ-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001371552740 967110471 /nfs/dbraw/zinc/11/04/71/967110471.db2.gz ISONDAJPKYKZDF-QLFBSQMISA-N 1 3 324.469 0.338 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001382267296 967141784 /nfs/dbraw/zinc/14/17/84/967141784.db2.gz OOUONFAKPNBZSF-MRXNPFEDSA-N 1 3 317.433 0.658 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001371624721 967180839 /nfs/dbraw/zinc/18/08/39/967180839.db2.gz FQAFRASTRNPZNS-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cncn2C)[C@H]1C ZINC001382300306 967183653 /nfs/dbraw/zinc/18/36/53/967183653.db2.gz CLRAJDAIALRFLB-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)[C@@H]1C ZINC001382300689 967185178 /nfs/dbraw/zinc/18/51/78/967185178.db2.gz CWTCRMHHVDFSOH-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001371660406 967212286 /nfs/dbraw/zinc/21/22/86/967212286.db2.gz QGOKJJCRTFKFLZ-ZIAGYGMSSA-N 1 3 322.457 0.672 20 0 DCADHO C[C@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001382319378 967213388 /nfs/dbraw/zinc/21/33/88/967213388.db2.gz SHYWUORTXHEVIC-UONOGXRCSA-N 1 3 319.453 0.841 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001371705457 967257263 /nfs/dbraw/zinc/25/72/63/967257263.db2.gz ROZZIKBGDOFTQD-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001382378171 967291349 /nfs/dbraw/zinc/29/13/49/967291349.db2.gz OPSHKHQSQGFHMK-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001382378171 967291353 /nfs/dbraw/zinc/29/13/53/967291353.db2.gz OPSHKHQSQGFHMK-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCn1nncc1CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001382536368 967475670 /nfs/dbraw/zinc/47/56/70/967475670.db2.gz QUZJIDJXFWGJQJ-CQSZACIVSA-N 1 3 324.473 0.870 20 0 DCADHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001382578345 967514833 /nfs/dbraw/zinc/51/48/33/967514833.db2.gz NCZDWLGYUSQJSA-WXRRBKDZSA-N 1 3 310.442 0.314 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001372043401 967595774 /nfs/dbraw/zinc/59/57/74/967595774.db2.gz MIMDUGKDPAHBNN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001372043401 967595781 /nfs/dbraw/zinc/59/57/81/967595781.db2.gz MIMDUGKDPAHBNN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001372261297 967809028 /nfs/dbraw/zinc/80/90/28/967809028.db2.gz SVYLAIUCRGSZSS-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001372955268 968565540 /nfs/dbraw/zinc/56/55/40/968565540.db2.gz WHUJCQQXCUESIP-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1=O ZINC001372994008 968607942 /nfs/dbraw/zinc/60/79/42/968607942.db2.gz SWEBIKJJYJYCHV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1=O ZINC001372994008 968607951 /nfs/dbraw/zinc/60/79/51/968607951.db2.gz SWEBIKJJYJYCHV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nnc(CN[C@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001373001731 968615956 /nfs/dbraw/zinc/61/59/56/968615956.db2.gz YJFFVTDRFHLZIX-GFCCVEGCSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)NC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373250266 968854256 /nfs/dbraw/zinc/85/42/56/968854256.db2.gz ZBYPRGCEEPWUHI-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373250266 968854259 /nfs/dbraw/zinc/85/42/59/968854259.db2.gz ZBYPRGCEEPWUHI-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1nccc1CCN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001373399683 969043013 /nfs/dbraw/zinc/04/30/13/969043013.db2.gz JIHAOLAYLWMMJO-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CC)CC(=O)NCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001373459237 969120929 /nfs/dbraw/zinc/12/09/29/969120929.db2.gz QHKUZGPGBZRDMR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](NCCF)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001448452473 1013917233 /nfs/dbraw/zinc/91/72/33/1013917233.db2.gz GRFHLCROYHQWJE-KGLIPLIRSA-N 1 3 313.417 0.790 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C2CC2)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001448596125 1013962545 /nfs/dbraw/zinc/96/25/45/1013962545.db2.gz QNEZBBYQGIEENA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001431375970 1014021162 /nfs/dbraw/zinc/02/11/62/1014021162.db2.gz AKCLGUGZOKRERP-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001431375970 1014021163 /nfs/dbraw/zinc/02/11/63/1014021163.db2.gz AKCLGUGZOKRERP-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC001448892747 1014086209 /nfs/dbraw/zinc/08/62/09/1014086209.db2.gz IWEBDHIPZAMDDR-RRFJBIMHSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC001448892747 1014086213 /nfs/dbraw/zinc/08/62/13/1014086213.db2.gz IWEBDHIPZAMDDR-RRFJBIMHSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001448973099 1014113608 /nfs/dbraw/zinc/11/36/08/1014113608.db2.gz DRTYNZJRVGXDJH-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001448974767 1014113631 /nfs/dbraw/zinc/11/36/31/1014113631.db2.gz LORQAYIPDSABSJ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001522466966 1014128713 /nfs/dbraw/zinc/12/87/13/1014128713.db2.gz CMMVLUZHDJSKLR-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549169710 1014158785 /nfs/dbraw/zinc/15/87/85/1014158785.db2.gz CXWDFVGNEVEFBI-OCCSQVGLSA-N 1 3 306.414 0.290 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001528479783 1014307753 /nfs/dbraw/zinc/30/77/53/1014307753.db2.gz HSOVZHZDDDLLAN-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C ZINC001528479783 1014307763 /nfs/dbraw/zinc/30/77/63/1014307763.db2.gz HSOVZHZDDDLLAN-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)N(C)C1 ZINC001549615371 1014350703 /nfs/dbraw/zinc/35/07/03/1014350703.db2.gz AKTAGOUTCNVGSF-MGPQQGTHSA-N 1 3 310.442 0.632 20 0 DCADHO CC(C)N(CCN(C)C[C@@H](C)O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001449256822 1014358501 /nfs/dbraw/zinc/35/85/01/1014358501.db2.gz BFNUVGDMDLNDIZ-ZBFHGGJFSA-N 1 3 311.470 0.878 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001522801264 1014383252 /nfs/dbraw/zinc/38/32/52/1014383252.db2.gz PTVBLHYPJPHOPT-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)(C)[C@@H](N)C(=O)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549724932 1014425362 /nfs/dbraw/zinc/42/53/62/1014425362.db2.gz PQJHGKMPNYXIOP-OCCSQVGLSA-N 1 3 306.410 0.812 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001522974003 1014500785 /nfs/dbraw/zinc/50/07/85/1014500785.db2.gz XMSCPMHZXFYSLQ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001522974003 1014500797 /nfs/dbraw/zinc/50/07/97/1014500797.db2.gz XMSCPMHZXFYSLQ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001550095754 1014564689 /nfs/dbraw/zinc/56/46/89/1014564689.db2.gz RCGWUGZWYMQDRD-GXTWGEPZSA-N 1 3 306.414 0.290 20 0 DCADHO COc1ccc([C@@H]2CN(C(=O)[C@H](N)CC(F)F)C[C@@H]2[NH3+])cc1 ZINC001550108186 1014575113 /nfs/dbraw/zinc/57/51/13/1014575113.db2.gz GHDOLXOMAIRHJD-XQQFMLRXSA-N 1 3 313.348 0.931 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCCC4)C2)nn1 ZINC001550188403 1014617604 /nfs/dbraw/zinc/61/76/04/1014617604.db2.gz WBXPPJFITSNNHX-BJJXKVORSA-N 1 3 318.425 0.290 20 0 DCADHO [NH3+][C@@H]1CCOC[C@@H]1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC001550733459 1014824267 /nfs/dbraw/zinc/82/42/67/1014824267.db2.gz HFJCAEDXNJWEGU-ILXRZTDVSA-N 1 3 304.394 0.289 20 0 DCADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCNC[C@@H](O)C1 ZINC001550735998 1014824746 /nfs/dbraw/zinc/82/47/46/1014824746.db2.gz IERANAWREBKZGF-BZUAXINKSA-N 1 3 318.421 0.108 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCNC[C@@H](O)C1 ZINC001550735295 1014825309 /nfs/dbraw/zinc/82/53/09/1014825309.db2.gz ACQZTAIVHZQTKH-OAHLLOKOSA-N 1 3 310.442 0.084 20 0 DCADHO N[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC[C@H]1F ZINC001550755926 1014842782 /nfs/dbraw/zinc/84/27/82/1014842782.db2.gz NIWWKMZLVXBXNC-YNEHKIRRSA-N 1 3 314.405 0.226 20 0 DCADHO CC(C)(C)CNC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912539 1014910463 /nfs/dbraw/zinc/91/04/63/1014910463.db2.gz JCEUEQODELLPBI-XJKSGUPXSA-N 1 3 324.469 0.385 20 0 DCADHO Nc1nc(C2CC2)nc(N2CCN(C[C@@H]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001551395640 1015035647 /nfs/dbraw/zinc/03/56/47/1015035647.db2.gz YPKHZNIXVJMZRL-DGCLKSJQSA-N 1 3 317.441 0.581 20 0 DCADHO CN(C)C1(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001450385370 1015107457 /nfs/dbraw/zinc/10/74/57/1015107457.db2.gz JBJOTGSBUAUGOB-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001450385370 1015107465 /nfs/dbraw/zinc/10/74/65/1015107465.db2.gz JBJOTGSBUAUGOB-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC001551495197 1015117255 /nfs/dbraw/zinc/11/72/55/1015117255.db2.gz BHMNYGITYJSZJG-VQCLRJIVSA-N 1 3 310.442 0.763 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001531247917 1015121177 /nfs/dbraw/zinc/12/11/77/1015121177.db2.gz SEZBJCLDYUAWFQ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001531247917 1015121182 /nfs/dbraw/zinc/12/11/82/1015121182.db2.gz SEZBJCLDYUAWFQ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CCO1 ZINC001551524883 1015125233 /nfs/dbraw/zinc/12/52/33/1015125233.db2.gz RNABFSVAKLGXSL-FVQBIDKESA-N 1 3 318.421 0.583 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC001551529526 1015128252 /nfs/dbraw/zinc/12/82/52/1015128252.db2.gz XVYYCRSKXFAEAF-NUEKZKHPSA-N 1 3 318.421 0.631 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001384532932 985646841 /nfs/dbraw/zinc/64/68/41/985646841.db2.gz HCKAYTSLLSFJLR-XQLPTFJDSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001384532932 985646847 /nfs/dbraw/zinc/64/68/47/985646847.db2.gz HCKAYTSLLSFJLR-XQLPTFJDSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385393941 986318890 /nfs/dbraw/zinc/31/88/90/986318890.db2.gz XTVQFWYPBVGMDR-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385393941 986318896 /nfs/dbraw/zinc/31/88/96/986318896.db2.gz XTVQFWYPBVGMDR-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001385909464 986675064 /nfs/dbraw/zinc/67/50/64/986675064.db2.gz GWZOPSHJXUJMLA-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001386967453 987536357 /nfs/dbraw/zinc/53/63/57/987536357.db2.gz DBGKMNNAUCIGNH-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201247 1015323010 /nfs/dbraw/zinc/32/30/10/1015323010.db2.gz ZVLYNIFELVBROJ-JFIYKMOQSA-N 1 3 315.417 0.613 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001387102142 987634400 /nfs/dbraw/zinc/63/44/00/987634400.db2.gz BOACREFBVBWUOZ-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001387102142 987634403 /nfs/dbraw/zinc/63/44/03/987634403.db2.gz BOACREFBVBWUOZ-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001387144904 987658317 /nfs/dbraw/zinc/65/83/17/987658317.db2.gz NWAJGZHPGHGNFP-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001388734234 988547226 /nfs/dbraw/zinc/54/72/26/988547226.db2.gz BMDRIYJQEUTJAO-HDJSIYSDSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](N[C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)C(N)=O ZINC001388812190 988610290 /nfs/dbraw/zinc/61/02/90/988610290.db2.gz SFAHWPSGDVTYHD-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CCO[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@@H]1C[NH3+] ZINC001552430566 1015429056 /nfs/dbraw/zinc/42/90/56/1015429056.db2.gz KCTVJSCHTAVKBS-NWDGAFQWSA-N 1 3 309.435 0.830 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCN1CC[NH+](C(C)C)CC1 ZINC001389410499 989213495 /nfs/dbraw/zinc/21/34/95/989213495.db2.gz OMNAUDZEUBUSGG-HNNXBMFYSA-N 1 3 316.465 0.809 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cnn(C)c2)C2CC2)CC[N@@H+]1C ZINC001389620130 989436759 /nfs/dbraw/zinc/43/67/59/989436759.db2.gz ZNSOHSVBTJJCMY-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cnn(C)c2)C2CC2)CC[N@H+]1C ZINC001389620130 989436762 /nfs/dbraw/zinc/43/67/62/989436762.db2.gz ZNSOHSVBTJJCMY-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](N[C@@H](C)C(N)=O)C2CC2)CC1 ZINC001389689643 989491692 /nfs/dbraw/zinc/49/16/92/989491692.db2.gz JFMITEQVTZPUJU-WFASDCNBSA-N 1 3 324.469 0.465 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001450964364 1015489444 /nfs/dbraw/zinc/48/94/44/1015489444.db2.gz DDUJWEVWGUICOB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001450964364 1015489446 /nfs/dbraw/zinc/48/94/46/1015489446.db2.gz DDUJWEVWGUICOB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC1(C)CNCCN1C(=O)c1cn([C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC001552683709 1015491305 /nfs/dbraw/zinc/49/13/05/1015491305.db2.gz LBUXNGNGCXQTSS-AAEUAGOBSA-N 1 3 306.414 0.545 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001389856778 989640929 /nfs/dbraw/zinc/64/09/29/989640929.db2.gz OWANKEYDICYRRA-HDJSIYSDSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001389898120 989671510 /nfs/dbraw/zinc/67/15/10/989671510.db2.gz JOLQGKGGZGIRNF-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)C1 ZINC001552701061 1015499513 /nfs/dbraw/zinc/49/95/13/1015499513.db2.gz MHEXEEYFHHJCER-GUTXKFCHSA-N 1 3 320.441 0.935 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C)N(C)C ZINC001390025082 989755710 /nfs/dbraw/zinc/75/57/10/989755710.db2.gz MKPCRXUMFWLJRB-DZKIICNBSA-N 1 3 324.469 0.336 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCN1CCCC1=O ZINC001390458440 990120274 /nfs/dbraw/zinc/12/02/74/990120274.db2.gz JZSXJQZEERPHSU-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCN1CCCC1=O ZINC001390458439 990122158 /nfs/dbraw/zinc/12/21/58/990122158.db2.gz JZSXJQZEERPHSU-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001390485318 990139250 /nfs/dbraw/zinc/13/92/50/990139250.db2.gz SUUNMBDUKHBXGA-WFASDCNBSA-N 1 3 320.437 0.720 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)ncn1 ZINC001390719068 990324907 /nfs/dbraw/zinc/32/49/07/990324907.db2.gz MIJKDZVFTPWBNB-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)ncn1 ZINC001390719068 990324910 /nfs/dbraw/zinc/32/49/10/990324910.db2.gz MIJKDZVFTPWBNB-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001390719067 990325137 /nfs/dbraw/zinc/32/51/37/990325137.db2.gz MIJKDZVFTPWBNB-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC001390719067 990325144 /nfs/dbraw/zinc/32/51/44/990325144.db2.gz MIJKDZVFTPWBNB-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO NC1(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC2(CCC2)C1 ZINC001552927275 1015566742 /nfs/dbraw/zinc/56/67/42/1015566742.db2.gz OYUFEQSXASWJDL-UHFFFAOYSA-N 1 3 316.409 0.486 20 0 DCADHO CN(CCN[C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001391219715 990680313 /nfs/dbraw/zinc/68/03/13/990680313.db2.gz LRLQEUSUPYJJJK-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCN[C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001391219715 990680314 /nfs/dbraw/zinc/68/03/14/990680314.db2.gz LRLQEUSUPYJJJK-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NC1C[NH+](CC2CC(C)C2)C1 ZINC001391458516 990858211 /nfs/dbraw/zinc/85/82/11/990858211.db2.gz HBSMJRJYWMYOHV-SHARSMKWSA-N 1 3 309.454 0.801 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCCN1CC ZINC001391750132 991157299 /nfs/dbraw/zinc/15/72/99/991157299.db2.gz BVIBLWKEWQFKKL-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)CC[N@@H+]1C ZINC001391769592 991169620 /nfs/dbraw/zinc/16/96/20/991169620.db2.gz WIPOSQUBFSKBNG-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)CC[N@H+]1C ZINC001391769592 991169623 /nfs/dbraw/zinc/16/96/23/991169623.db2.gz WIPOSQUBFSKBNG-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392069523 991461227 /nfs/dbraw/zinc/46/12/27/991461227.db2.gz CBCGFMDNOJBHOI-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001392122316 991517251 /nfs/dbraw/zinc/51/72/51/991517251.db2.gz QMTXIXMTQNYGRU-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001392137872 991535381 /nfs/dbraw/zinc/53/53/81/991535381.db2.gz KVBNSMDYNHQRAM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)N1CCCC1 ZINC001392385500 991853044 /nfs/dbraw/zinc/85/30/44/991853044.db2.gz AFVXLAFFXVFKDW-OAHLLOKOSA-N 1 3 320.437 0.523 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CC[NH+](C)C)C(=O)C1(N(C)C)CCC1 ZINC001414125776 992006446 /nfs/dbraw/zinc/00/64/46/992006446.db2.gz QIADFBNCBSATRA-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001392519872 992038624 /nfs/dbraw/zinc/03/86/24/992038624.db2.gz RKTZPJKWFSGQMF-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001392537027 992063143 /nfs/dbraw/zinc/06/31/43/992063143.db2.gz MYBVKQWEHLGQNQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001393031386 992636987 /nfs/dbraw/zinc/63/69/87/992636987.db2.gz CYQZSTZELKGIFF-CHWSQXEVSA-N 1 3 321.425 0.446 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001393141446 992714137 /nfs/dbraw/zinc/71/41/37/992714137.db2.gz HSVHOUHTGNKEGD-PBHICJAKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001393407485 992954864 /nfs/dbraw/zinc/95/48/64/992954864.db2.gz FAAVUSUCSGVITF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001393407485 992954870 /nfs/dbraw/zinc/95/48/70/992954870.db2.gz FAAVUSUCSGVITF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)OC)C1 ZINC001393587817 993108477 /nfs/dbraw/zinc/10/84/77/993108477.db2.gz TWBGXORIJGMQTF-UONOGXRCSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001393592682 993111516 /nfs/dbraw/zinc/11/15/16/993111516.db2.gz GWWLSQZPMWCADP-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCCC2)[C@@H](C)C1 ZINC001393746564 993220754 /nfs/dbraw/zinc/22/07/54/993220754.db2.gz KLNSFCACGRGHQD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CCn1cncn1 ZINC001399827890 993817618 /nfs/dbraw/zinc/81/76/18/993817618.db2.gz VQTNTEMQOOQOOU-GASCZTMLSA-N 1 3 322.457 0.589 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CCn1cncn1 ZINC001399827890 993817625 /nfs/dbraw/zinc/81/76/25/993817625.db2.gz VQTNTEMQOOQOOU-GASCZTMLSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001399938847 993959589 /nfs/dbraw/zinc/95/95/89/993959589.db2.gz WUGYVZUYAXJBCZ-OAHLLOKOSA-N 1 3 307.442 0.661 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001399938847 993959599 /nfs/dbraw/zinc/95/95/99/993959599.db2.gz WUGYVZUYAXJBCZ-OAHLLOKOSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CCC[NH+]1CCCC1 ZINC001394667023 993995002 /nfs/dbraw/zinc/99/50/02/993995002.db2.gz HHHDWYRFHFJUFI-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001400053736 994108340 /nfs/dbraw/zinc/10/83/40/994108340.db2.gz NBLJYCSWPJFQBC-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001400053736 994108342 /nfs/dbraw/zinc/10/83/42/994108342.db2.gz NBLJYCSWPJFQBC-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC001394784990 994148218 /nfs/dbraw/zinc/14/82/18/994148218.db2.gz AZNLEBXEOSGDDK-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC001394784990 994148222 /nfs/dbraw/zinc/14/82/22/994148222.db2.gz AZNLEBXEOSGDDK-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C(C)(C)C)N(C)C ZINC001394838172 994198240 /nfs/dbraw/zinc/19/82/40/994198240.db2.gz VVDSTJNPAMUGQP-CHWSQXEVSA-N 1 3 314.474 0.535 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400160762 994215993 /nfs/dbraw/zinc/21/59/93/994215993.db2.gz YKANBPRSDSULNH-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400160762 994216006 /nfs/dbraw/zinc/21/60/06/994216006.db2.gz YKANBPRSDSULNH-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CC(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1)C1CCC1 ZINC001400503287 994594473 /nfs/dbraw/zinc/59/44/73/994594473.db2.gz FPLUQLVLYCXYIV-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001395630261 994816814 /nfs/dbraw/zinc/81/68/14/994816814.db2.gz WGYLKTWYIIKHEQ-UKRRQHHQSA-N 1 3 314.474 0.487 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H](C)C(=O)NC ZINC001400826581 994983058 /nfs/dbraw/zinc/98/30/58/994983058.db2.gz NSQUNVMIGVYIFI-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507037951 1015911172 /nfs/dbraw/zinc/91/11/72/1015911172.db2.gz WSPITWLVGJHNQV-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507037951 1015911183 /nfs/dbraw/zinc/91/11/83/1015911183.db2.gz WSPITWLVGJHNQV-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)NCC(=O)NC ZINC001400914167 995061125 /nfs/dbraw/zinc/06/11/25/995061125.db2.gz JYXWHBHIOLEFIK-UKRRQHHQSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)NCC(=O)NC ZINC001400914165 995061293 /nfs/dbraw/zinc/06/12/93/995061293.db2.gz JYXWHBHIOLEFIK-HIFRSBDPSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)N1CCCC1 ZINC001400918696 995062290 /nfs/dbraw/zinc/06/22/90/995062290.db2.gz NCWQWZDONDZDIB-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1nccc1CNC[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401016611 995116338 /nfs/dbraw/zinc/11/63/38/995116338.db2.gz BPMYQVKYGQASSZ-SUMWQHHRSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CNC[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401016611 995116344 /nfs/dbraw/zinc/11/63/44/995116344.db2.gz BPMYQVKYGQASSZ-SUMWQHHRSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001397156278 995830153 /nfs/dbraw/zinc/83/01/53/995830153.db2.gz DWSAPOZLQLWFNK-GZBFAFLISA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CCn2cccn2)C2CC2)C1 ZINC001398458982 996527517 /nfs/dbraw/zinc/52/75/17/996527517.db2.gz SPWFBAUXJUQFQA-HOCLYGCPSA-N 1 3 319.453 0.709 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001398770281 996681391 /nfs/dbraw/zinc/68/13/91/996681391.db2.gz RZRBONBMEFWNJN-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001398792892 996690437 /nfs/dbraw/zinc/69/04/37/996690437.db2.gz AVEMLQNYUIJQJX-INIZCTEOSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001502761973 1016060389 /nfs/dbraw/zinc/06/03/89/1016060389.db2.gz ITWDBNALWTWFNA-DZGCQCFKSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001398960940 996776637 /nfs/dbraw/zinc/77/66/37/996776637.db2.gz XLHJEEFUFOOBCP-CYBMUJFWSA-N 1 3 320.437 0.464 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001399037373 996872390 /nfs/dbraw/zinc/87/23/90/996872390.db2.gz MRORJRDRESTMTD-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001404312612 996957659 /nfs/dbraw/zinc/95/76/59/996957659.db2.gz FHUURGNHCJBXCK-XHDPSFHLSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001404312612 996957669 /nfs/dbraw/zinc/95/76/69/996957669.db2.gz FHUURGNHCJBXCK-XHDPSFHLSA-N 1 3 316.421 0.121 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001399154484 997030372 /nfs/dbraw/zinc/03/03/72/997030372.db2.gz FLTJQTOFTWWCSR-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001399184467 997067880 /nfs/dbraw/zinc/06/78/80/997067880.db2.gz REBPUCWKSCISGL-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001399263946 997139827 /nfs/dbraw/zinc/13/98/27/997139827.db2.gz PMEFYCGGRGSLAQ-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CN(CCN1CC[NH+](CCC2CC2)CC1)C(=O)[C@H]1CCCN1C ZINC001404549070 997232656 /nfs/dbraw/zinc/23/26/56/997232656.db2.gz ABZCCTFISNBUMV-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)CCC1 ZINC001404893686 997570580 /nfs/dbraw/zinc/57/05/80/997570580.db2.gz RGNKNIUFKVUHNJ-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H](C)C(N)=O ZINC001405273050 998043613 /nfs/dbraw/zinc/04/36/13/998043613.db2.gz UVFJIZOPGOKRHU-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H](C)C(N)=O ZINC001405273104 998043971 /nfs/dbraw/zinc/04/39/71/998043971.db2.gz UVFJIZOPGOKRHU-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001405513419 998289721 /nfs/dbraw/zinc/28/97/21/998289721.db2.gz FXVRIHIMVKHLAN-MGPQQGTHSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001507298497 1016229339 /nfs/dbraw/zinc/22/93/39/1016229339.db2.gz QCWHXZLEEHKZIF-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCc2ccnn2C)C1 ZINC001505538024 1016291223 /nfs/dbraw/zinc/29/12/23/1016291223.db2.gz SNJKGABGNOEEFW-UHFFFAOYSA-N 1 3 321.469 0.787 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H](NCC(=O)NCC2CC2)C(C)(C)C1 ZINC001507443306 1016332036 /nfs/dbraw/zinc/33/20/36/1016332036.db2.gz OAUXEHWWUFENRP-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401233001 1000294929 /nfs/dbraw/zinc/29/49/29/1000294929.db2.gz IGYQSSGXPBLNJN-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1NCc1cn(C)nn1 ZINC001401300437 1000338148 /nfs/dbraw/zinc/33/81/48/1000338148.db2.gz QXRHANYZHPIFTN-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001418658005 1000426640 /nfs/dbraw/zinc/42/66/40/1000426640.db2.gz KWCKYECWWRHZKF-MCIONIFRSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001418658005 1000426642 /nfs/dbraw/zinc/42/66/42/1000426642.db2.gz KWCKYECWWRHZKF-MCIONIFRSA-N 1 3 320.441 0.141 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)CN1CCCC1 ZINC001401609849 1000545238 /nfs/dbraw/zinc/54/52/38/1000545238.db2.gz MMFSECHFUIGGFS-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001418816232 1000545830 /nfs/dbraw/zinc/54/58/30/1000545830.db2.gz BOSFHRCMFUZNDM-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001418816232 1000545834 /nfs/dbraw/zinc/54/58/34/1000545834.db2.gz BOSFHRCMFUZNDM-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001401673403 1000613520 /nfs/dbraw/zinc/61/35/20/1000613520.db2.gz QUVISZQNMBIJMS-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001401691528 1000630248 /nfs/dbraw/zinc/63/02/48/1000630248.db2.gz KRFNWMYWZYBTMB-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN[C@H]2CCN(C)C2=O)CC1 ZINC001401708495 1000646686 /nfs/dbraw/zinc/64/66/86/1000646686.db2.gz OFHZJFFWVPCNMS-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1ccccc1C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001507507871 1016435168 /nfs/dbraw/zinc/43/51/68/1016435168.db2.gz STWCNEKUCVYIIX-INIZCTEOSA-N 1 3 316.405 0.870 20 0 DCADHO Cc1ccccc1C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH]cn1 ZINC001507507872 1016434070 /nfs/dbraw/zinc/43/40/70/1016434070.db2.gz STWCNEKUCVYIIX-MRXNPFEDSA-N 1 3 316.405 0.870 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1cnnn1C ZINC001419263522 1000930838 /nfs/dbraw/zinc/93/08/38/1000930838.db2.gz RCAOXHAAPHXIIN-TZMCWYRMSA-N 1 3 310.446 0.386 20 0 DCADHO COC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001401992297 1000931450 /nfs/dbraw/zinc/93/14/50/1000931450.db2.gz MMSQNMXUTDYEDJ-QLFBSQMISA-N 1 3 313.442 0.011 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001419313963 1000967282 /nfs/dbraw/zinc/96/72/82/1000967282.db2.gz YEVPAEYEZIHROH-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001419313963 1000967285 /nfs/dbraw/zinc/96/72/85/1000967285.db2.gz YEVPAEYEZIHROH-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1)N(C)C ZINC001419383451 1001012961 /nfs/dbraw/zinc/01/29/61/1001012961.db2.gz PVIVOKXBOLXAKW-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001402228356 1001123240 /nfs/dbraw/zinc/12/32/40/1001123240.db2.gz KBVITZNWLYGGJW-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001402228356 1001123245 /nfs/dbraw/zinc/12/32/45/1001123245.db2.gz KBVITZNWLYGGJW-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001419669074 1001210245 /nfs/dbraw/zinc/21/02/45/1001210245.db2.gz UXDKNNVKLISFST-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001419669074 1001210248 /nfs/dbraw/zinc/21/02/48/1001210248.db2.gz UXDKNNVKLISFST-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001419756662 1001283708 /nfs/dbraw/zinc/28/37/08/1001283708.db2.gz CXRPMBXBGKBECO-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC(C)(C)C ZINC001402445390 1001315220 /nfs/dbraw/zinc/31/52/20/1001315220.db2.gz LZHQEXFMRISSFS-MELADBBJSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001419853971 1001358178 /nfs/dbraw/zinc/35/81/78/1001358178.db2.gz QZSWDEWTEPCTOY-ZIAGYGMSSA-N 1 3 320.437 0.321 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001402506663 1001367185 /nfs/dbraw/zinc/36/71/85/1001367185.db2.gz KDFFYMKMSIYFCP-HAQNSBGRSA-N 1 3 306.414 0.371 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001419881383 1001379593 /nfs/dbraw/zinc/37/95/93/1001379593.db2.gz VWMWAFKSECBJSB-OAHLLOKOSA-N 1 3 322.457 0.530 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001402524590 1001382674 /nfs/dbraw/zinc/38/26/74/1001382674.db2.gz COUSUBMJILDDCN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nc(CNC2(CNC(=O)C34CC[NH+](CC3)C4)CCC2)n[nH]1 ZINC001402580626 1001420391 /nfs/dbraw/zinc/42/03/91/1001420391.db2.gz BULZXFXXSFJHNG-UHFFFAOYSA-N 1 3 318.425 0.337 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1cnn(C)c1 ZINC001402786006 1001501739 /nfs/dbraw/zinc/50/17/39/1001501739.db2.gz WUSWWNZKIOOHOJ-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001402849961 1001534198 /nfs/dbraw/zinc/53/41/98/1001534198.db2.gz DBNNLOLYMUKVLE-RWMBFGLXSA-N 1 3 300.447 0.192 20 0 DCADHO C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001403061048 1001654832 /nfs/dbraw/zinc/65/48/32/1001654832.db2.gz RTUDEFPGXVLVQW-RYUDHWBXSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001419957561 1001723317 /nfs/dbraw/zinc/72/33/17/1001723317.db2.gz IMFXNMTZYXFPJB-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001419957561 1001723322 /nfs/dbraw/zinc/72/33/22/1001723322.db2.gz IMFXNMTZYXFPJB-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001403249839 1001762206 /nfs/dbraw/zinc/76/22/06/1001762206.db2.gz NXTKUPVBICGLIY-QLFBSQMISA-N 1 3 315.458 0.018 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001403251478 1001762823 /nfs/dbraw/zinc/76/28/23/1001762823.db2.gz WCFSRAPKKRZHNU-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(CCCN2CCCC2=O)C1 ZINC001403323938 1001815702 /nfs/dbraw/zinc/81/57/02/1001815702.db2.gz MOOLHURKVKTXCM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001420128001 1001917362 /nfs/dbraw/zinc/91/73/62/1001917362.db2.gz NVKPNUMEKOMYKR-JKSUJKDBSA-N 1 3 320.437 0.521 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001420128001 1001917367 /nfs/dbraw/zinc/91/73/67/1001917367.db2.gz NVKPNUMEKOMYKR-JKSUJKDBSA-N 1 3 320.437 0.521 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001403496102 1002032292 /nfs/dbraw/zinc/03/22/92/1002032292.db2.gz WLJVJNPXIZTXMY-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO CCCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403518892 1002067282 /nfs/dbraw/zinc/06/72/82/1002067282.db2.gz WFMCTCVKHQYHPC-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403518892 1002067291 /nfs/dbraw/zinc/06/72/91/1002067291.db2.gz WFMCTCVKHQYHPC-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@H]1CCNC1=O ZINC001420233906 1002087727 /nfs/dbraw/zinc/08/77/27/1002087727.db2.gz KDCQDXVZJMPEIH-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@H]1CCNC1=O ZINC001420233906 1002087738 /nfs/dbraw/zinc/08/77/38/1002087738.db2.gz KDCQDXVZJMPEIH-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CC2CC(F)(F)C2)CCC1 ZINC001403666735 1002309342 /nfs/dbraw/zinc/30/93/42/1002309342.db2.gz JFQUFMSCPOJLEI-GFCCVEGCSA-N 1 3 319.396 0.583 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)C[C@@H]2CCNC(=O)CC2)C1 ZINC001403688696 1002357248 /nfs/dbraw/zinc/35/72/48/1002357248.db2.gz RHPXCDWYXCMZLO-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)C[C@@H]2CCNC(=O)CC2)C1 ZINC001403688696 1002357262 /nfs/dbraw/zinc/35/72/62/1002357262.db2.gz RHPXCDWYXCMZLO-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C[C@H]1C ZINC001403746717 1002459047 /nfs/dbraw/zinc/45/90/47/1002459047.db2.gz JPKNQVCCWRXUMX-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C[C@H]1C ZINC001403746717 1002459051 /nfs/dbraw/zinc/45/90/51/1002459051.db2.gz JPKNQVCCWRXUMX-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C[C@@H]1C ZINC001403746700 1002459259 /nfs/dbraw/zinc/45/92/59/1002459259.db2.gz JPKNQVCCWRXUMX-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C[C@@H]1C ZINC001403746700 1002459264 /nfs/dbraw/zinc/45/92/64/1002459264.db2.gz JPKNQVCCWRXUMX-GXTWGEPZSA-N 1 3 322.457 0.924 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C2CC2)C[C@@H]1C ZINC001403746507 1002460799 /nfs/dbraw/zinc/46/07/99/1002460799.db2.gz IWAZITVJNFRXCS-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N(C)C2CC2)C[C@@H]1C ZINC001403746507 1002460805 /nfs/dbraw/zinc/46/08/05/1002460805.db2.gz IWAZITVJNFRXCS-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001420534255 1002569354 /nfs/dbraw/zinc/56/93/54/1002569354.db2.gz GUPVZWVKMIHDRQ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@@H](C)C(=O)NC)C(C)(C)C ZINC001403955030 1002794164 /nfs/dbraw/zinc/79/41/64/1002794164.db2.gz HZWJMDLCBGTFEH-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@@H](C)C(=O)NC)C(C)(C)C ZINC001403955030 1002794177 /nfs/dbraw/zinc/79/41/77/1002794177.db2.gz HZWJMDLCBGTFEH-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001420739444 1002900930 /nfs/dbraw/zinc/90/09/30/1002900930.db2.gz GCLNLEHICICCIM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001420739444 1002900941 /nfs/dbraw/zinc/90/09/41/1002900941.db2.gz GCLNLEHICICCIM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C2CC2)CCC1 ZINC001420747099 1002908944 /nfs/dbraw/zinc/90/89/44/1002908944.db2.gz ZFHPXCUKOVNOHA-KBPBESRZSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001425685527 1002955043 /nfs/dbraw/zinc/95/50/43/1002955043.db2.gz RNCMVTCCJUNHDZ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001404100074 1003006002 /nfs/dbraw/zinc/00/60/02/1003006002.db2.gz HKGYEGQEZAHYSJ-OAHLLOKOSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001404100074 1003006013 /nfs/dbraw/zinc/00/60/13/1003006013.db2.gz HKGYEGQEZAHYSJ-OAHLLOKOSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405819617 1003106508 /nfs/dbraw/zinc/10/65/08/1003106508.db2.gz VVCOMBWBRZFLES-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405819617 1003106523 /nfs/dbraw/zinc/10/65/23/1003106523.db2.gz VVCOMBWBRZFLES-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001405819756 1003108700 /nfs/dbraw/zinc/10/87/00/1003108700.db2.gz BSMXBLQZOSLYFZ-QWHCGFSZSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1cnnn1C)[NH+](C)C ZINC001405830678 1003117752 /nfs/dbraw/zinc/11/77/52/1003117752.db2.gz NUDZQZYAVSRMCK-OCCSQVGLSA-N 1 3 310.446 0.338 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)NCC1=CCN(CCO)CC1 ZINC001508227960 1016730605 /nfs/dbraw/zinc/73/06/05/1016730605.db2.gz BACALFWAANMCCB-UHFFFAOYSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001425802768 1003129258 /nfs/dbraw/zinc/12/92/58/1003129258.db2.gz GDLTUCBYGPSVDE-CYBMUJFWSA-N 1 3 308.430 0.908 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001425802768 1003129264 /nfs/dbraw/zinc/12/92/64/1003129264.db2.gz GDLTUCBYGPSVDE-CYBMUJFWSA-N 1 3 308.430 0.908 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420949219 1003167266 /nfs/dbraw/zinc/16/72/66/1003167266.db2.gz LDMHDGVBDXMTSG-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420949219 1003167270 /nfs/dbraw/zinc/16/72/70/1003167270.db2.gz LDMHDGVBDXMTSG-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001406004442 1003257014 /nfs/dbraw/zinc/25/70/14/1003257014.db2.gz SXICXFYMEXZQKV-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001421040734 1003259959 /nfs/dbraw/zinc/25/99/59/1003259959.db2.gz SRGGDAASILEXJV-YOEHRIQHSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001425958235 1003284858 /nfs/dbraw/zinc/28/48/58/1003284858.db2.gz UFGUYTROWWENDH-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC1CC1 ZINC001421107849 1003325503 /nfs/dbraw/zinc/32/55/03/1003325503.db2.gz SKRBPINNJOLVJY-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001426010122 1003333630 /nfs/dbraw/zinc/33/36/30/1003333630.db2.gz NNDGHRVGYPGGNG-ZIAGYGMSSA-N 1 3 315.458 0.041 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H]1CCCNC1=O ZINC001406082934 1003333979 /nfs/dbraw/zinc/33/39/79/1003333979.db2.gz SJZYTBAAGQHDSB-KGLIPLIRSA-N 1 3 312.458 0.336 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NCC1CC1 ZINC001421129118 1003359893 /nfs/dbraw/zinc/35/98/93/1003359893.db2.gz MMFMSMHXIHXLIF-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421130318 1003361851 /nfs/dbraw/zinc/36/18/51/1003361851.db2.gz POLHUMQYPUKTSL-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421130318 1003361859 /nfs/dbraw/zinc/36/18/59/1003361859.db2.gz POLHUMQYPUKTSL-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001421151047 1003382975 /nfs/dbraw/zinc/38/29/75/1003382975.db2.gz GCIYKVDHCREWSE-CQSZACIVSA-N 1 3 311.470 0.927 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1 ZINC001421168634 1003399185 /nfs/dbraw/zinc/39/91/85/1003399185.db2.gz ITFOKKJDGZTENK-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C)C(N)=O ZINC001426158316 1003474762 /nfs/dbraw/zinc/47/47/62/1003474762.db2.gz ZLFGQQNXDAMJDC-AAEUAGOBSA-N 1 3 312.458 0.465 20 0 DCADHO Cc1cccc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C)c1 ZINC001406298073 1003581830 /nfs/dbraw/zinc/58/18/30/1003581830.db2.gz GRDUHYDJDUDYDO-INIZCTEOSA-N 1 3 307.438 0.902 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001421358681 1003584456 /nfs/dbraw/zinc/58/44/56/1003584456.db2.gz BWURVPOSHCELBH-XJKSGUPXSA-N 1 3 313.442 0.059 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001421358681 1003584459 /nfs/dbraw/zinc/58/44/59/1003584459.db2.gz BWURVPOSHCELBH-XJKSGUPXSA-N 1 3 313.442 0.059 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406364151 1003643111 /nfs/dbraw/zinc/64/31/11/1003643111.db2.gz XLPDJQZWBFRDEX-MRVWCRGKSA-N 1 3 322.457 0.541 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406364151 1003643113 /nfs/dbraw/zinc/64/31/13/1003643113.db2.gz XLPDJQZWBFRDEX-MRVWCRGKSA-N 1 3 322.457 0.541 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001406412682 1003694695 /nfs/dbraw/zinc/69/46/95/1003694695.db2.gz TZNNOQSRGATVCV-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001513205902 1016821320 /nfs/dbraw/zinc/82/13/20/1016821320.db2.gz IDXKUMWUMLIKNT-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001513205902 1016821333 /nfs/dbraw/zinc/82/13/33/1016821333.db2.gz IDXKUMWUMLIKNT-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001406496401 1003766120 /nfs/dbraw/zinc/76/61/20/1003766120.db2.gz NHSGQCYNPPEBJO-AAEUAGOBSA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001406496401 1003766127 /nfs/dbraw/zinc/76/61/27/1003766127.db2.gz NHSGQCYNPPEBJO-AAEUAGOBSA-N 1 3 308.430 0.582 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCc1ccnn1C ZINC001505989099 1016829830 /nfs/dbraw/zinc/82/98/30/1016829830.db2.gz QIXGRCJWTXKFNZ-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CN(C)CC(C)(C)C ZINC001428801244 1004184601 /nfs/dbraw/zinc/18/46/01/1004184601.db2.gz CWYLYIJWBMMICQ-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429058216 1004358510 /nfs/dbraw/zinc/35/85/10/1004358510.db2.gz QEKMFVSEAZBXQH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429058216 1004358516 /nfs/dbraw/zinc/35/85/16/1004358516.db2.gz QEKMFVSEAZBXQH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001407262001 1004504457 /nfs/dbraw/zinc/50/44/57/1004504457.db2.gz WCYOOWYJTPYTKE-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001407352986 1004575988 /nfs/dbraw/zinc/57/59/88/1004575988.db2.gz PUUSXVPGTIIYMR-GDBMZVCRSA-N 1 3 313.442 0.059 20 0 DCADHO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001407352986 1004575990 /nfs/dbraw/zinc/57/59/90/1004575990.db2.gz PUUSXVPGTIIYMR-GDBMZVCRSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)CC[NH+](C)C ZINC001408265095 1005132274 /nfs/dbraw/zinc/13/22/74/1005132274.db2.gz LQIZYWPZACFXJN-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N1CCC1 ZINC001408305426 1005151643 /nfs/dbraw/zinc/15/16/43/1005151643.db2.gz WXYUOJMJHPANPQ-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(C)C1(C(=O)NC2CCN(C(=O)CC[NH+](C)C)CC2)CCC1 ZINC001414681649 1005383180 /nfs/dbraw/zinc/38/31/80/1005383180.db2.gz BHKWNFQZDIBVOU-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001415304820 1005498951 /nfs/dbraw/zinc/49/89/51/1005498951.db2.gz IIIVGUZFUYRCGV-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001415532020 1005555462 /nfs/dbraw/zinc/55/54/62/1005555462.db2.gz GAEIJEBVRHCIKQ-KGLIPLIRSA-N 1 3 314.474 0.487 20 0 DCADHO CN(C)C1(C(=O)N(C)CCNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001415600291 1005573060 /nfs/dbraw/zinc/57/30/60/1005573060.db2.gz RYARIGLZFLHUHG-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nn(C)cc1CN[C@H](CNC(=O)CC[NH+](C)C)C1CC1 ZINC001417994615 1005950129 /nfs/dbraw/zinc/95/01/29/1005950129.db2.gz NEZHTPJCQXTIFQ-OAHLLOKOSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]C[C@H]1CCOC1)C1CC1 ZINC001418004769 1005953178 /nfs/dbraw/zinc/95/31/78/1005953178.db2.gz JMKIBVLCJRNHCT-DOMZBBRYSA-N 1 3 306.410 0.782 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]Cc1cnn(C)c1)C1CC1 ZINC001418011186 1005954515 /nfs/dbraw/zinc/95/45/15/1005954515.db2.gz MHUDYIGPWDWIRW-OAHLLOKOSA-N 1 3 307.442 0.745 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438673629 1006016580 /nfs/dbraw/zinc/01/65/80/1006016580.db2.gz HTOCKCMWLYPKFC-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC001418182434 1006139084 /nfs/dbraw/zinc/13/90/84/1006139084.db2.gz UCTOZBRXANOXMO-YONAWACDSA-N 1 3 321.465 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3C[C@]34CCOC4)C[C@H]21 ZINC001418182434 1006139096 /nfs/dbraw/zinc/13/90/96/1006139096.db2.gz UCTOZBRXANOXMO-YONAWACDSA-N 1 3 321.465 0.801 20 0 DCADHO CN(C)C1(C(=O)NC2CCC([NH2+][C@@H]3CCNC3=O)CC2)CCC1 ZINC001418188047 1006144275 /nfs/dbraw/zinc/14/42/75/1006144275.db2.gz UIZVBJHMCBQEMM-JXQTWKCFSA-N 1 3 322.453 0.376 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001436824290 1006394414 /nfs/dbraw/zinc/39/44/14/1006394414.db2.gz DUUJQCAOCZXPAQ-DOMZBBRYSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001436824290 1006394427 /nfs/dbraw/zinc/39/44/27/1006394427.db2.gz DUUJQCAOCZXPAQ-DOMZBBRYSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)NC(=O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001436829702 1006400265 /nfs/dbraw/zinc/40/02/65/1006400265.db2.gz RVLXIDVNFDOLRT-CQSZACIVSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001418352694 1006416613 /nfs/dbraw/zinc/41/66/13/1006416613.db2.gz UPVOKILNGDSWED-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001436935690 1006463864 /nfs/dbraw/zinc/46/38/64/1006463864.db2.gz QBPGSTLLIAIIQO-SHTZXODSSA-N 1 3 307.442 0.806 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001436981056 1006501297 /nfs/dbraw/zinc/50/12/97/1006501297.db2.gz YCBPWDGRUIYPAT-OKILXGFUSA-N 1 3 320.441 0.428 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001439246194 1006620082 /nfs/dbraw/zinc/62/00/82/1006620082.db2.gz QLCJEDRSRPWTQE-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001439269608 1006644143 /nfs/dbraw/zinc/64/41/43/1006644143.db2.gz LUBJVRJKNPQLJE-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccnc(N(C)C)c1 ZINC001437261594 1006781532 /nfs/dbraw/zinc/78/15/32/1006781532.db2.gz OIAOAMLUMCWBOQ-HIFRSBDPSA-N 1 3 319.453 0.694 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccnc(N(C)C)c1 ZINC001437261594 1006781542 /nfs/dbraw/zinc/78/15/42/1006781542.db2.gz OIAOAMLUMCWBOQ-HIFRSBDPSA-N 1 3 319.453 0.694 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2cncn2C)C2CC2)CCC1 ZINC001439452291 1006871349 /nfs/dbraw/zinc/87/13/49/1006871349.db2.gz DJGHMMSTRGCGBQ-OAHLLOKOSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001439482099 1006910148 /nfs/dbraw/zinc/91/01/48/1006910148.db2.gz DGTUPZHZQHTJDK-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439482099 1006910150 /nfs/dbraw/zinc/91/01/50/1006910150.db2.gz DGTUPZHZQHTJDK-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001452982675 1007182641 /nfs/dbraw/zinc/18/26/41/1007182641.db2.gz LMPVEXIXVSJKFW-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001452982675 1007182646 /nfs/dbraw/zinc/18/26/46/1007182646.db2.gz LMPVEXIXVSJKFW-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1)C(N)=O ZINC001439811075 1007216258 /nfs/dbraw/zinc/21/62/58/1007216258.db2.gz BJPWXBIJHXNSJA-GXTWGEPZSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](CNCC(N)=O)C1CCCC1)[NH+](C)C ZINC001439810556 1007216977 /nfs/dbraw/zinc/21/69/77/1007216977.db2.gz ALNKVTQZOXBASC-ZFWWWQNUSA-N 1 3 312.458 0.323 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1CCCN1CCCC1=O ZINC001437685391 1007259242 /nfs/dbraw/zinc/25/92/42/1007259242.db2.gz YIOSOYMOMPEULU-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001440218297 1007589142 /nfs/dbraw/zinc/58/91/42/1007589142.db2.gz CVHVTMCRNDPRLW-KKUMJFAQSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCCNC2=O)C1 ZINC001440464117 1007797839 /nfs/dbraw/zinc/79/78/39/1007797839.db2.gz JSVDQELIGZOULD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@@H]2CCCNC2=O)C1 ZINC001440464117 1007797847 /nfs/dbraw/zinc/79/78/47/1007797847.db2.gz JSVDQELIGZOULD-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001440468684 1007800491 /nfs/dbraw/zinc/80/04/91/1007800491.db2.gz XWQGHZGLKYSZHU-OAHLLOKOSA-N 1 3 324.469 0.709 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001438339950 1007839493 /nfs/dbraw/zinc/83/94/93/1007839493.db2.gz STRYWAINGFZHAC-UKRRQHHQSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H]2CCN(C)C2=O)CCCC1)N(C)C ZINC001438404023 1007883367 /nfs/dbraw/zinc/88/33/67/1007883367.db2.gz RTIMSPFVBNRTFP-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001438433838 1007905031 /nfs/dbraw/zinc/90/50/31/1007905031.db2.gz LAUBFPFDEGYERG-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001438465473 1007924563 /nfs/dbraw/zinc/92/45/63/1007924563.db2.gz DWQRGQUEQRORBD-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001438465473 1007924571 /nfs/dbraw/zinc/92/45/71/1007924571.db2.gz DWQRGQUEQRORBD-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CCCC[C@@H](CNCc1n[nH]c(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441131375 1008233154 /nfs/dbraw/zinc/23/31/54/1008233154.db2.gz IAROZQAAIDBGJU-KGLIPLIRSA-N 1 3 322.457 0.829 20 0 DCADHO CCCC[C@@H](CNCc1n[nH]c(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441131375 1008233161 /nfs/dbraw/zinc/23/31/61/1008233161.db2.gz IAROZQAAIDBGJU-KGLIPLIRSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001441636751 1008433075 /nfs/dbraw/zinc/43/30/75/1008433075.db2.gz AJGDLVDONCOWND-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001441636751 1008433078 /nfs/dbraw/zinc/43/30/78/1008433078.db2.gz AJGDLVDONCOWND-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001441760976 1008491035 /nfs/dbraw/zinc/49/10/35/1008491035.db2.gz WTXMABMDFDERLF-XJKSGUPXSA-N 1 3 317.449 0.922 20 0 DCADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001441841745 1008556474 /nfs/dbraw/zinc/55/64/74/1008556474.db2.gz ZNLCQXNYLBXNLI-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001441841745 1008556490 /nfs/dbraw/zinc/55/64/90/1008556490.db2.gz ZNLCQXNYLBXNLI-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001421426798 1008572861 /nfs/dbraw/zinc/57/28/61/1008572861.db2.gz TXTPZGVLYUGIFX-GDBMZVCRSA-N 1 3 319.453 0.746 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001453702111 1008670688 /nfs/dbraw/zinc/67/06/88/1008670688.db2.gz KNBYQQSNZXOGSI-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001453702111 1008670694 /nfs/dbraw/zinc/67/06/94/1008670694.db2.gz KNBYQQSNZXOGSI-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001441936716 1008674363 /nfs/dbraw/zinc/67/43/63/1008674363.db2.gz ZBENGPLSQGUAKK-OCCSQVGLSA-N 1 3 312.458 0.145 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001441993878 1008771420 /nfs/dbraw/zinc/77/14/20/1008771420.db2.gz IPMQFJVVOANCPU-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccccc2)C1 ZINC001442007444 1008795995 /nfs/dbraw/zinc/79/59/95/1008795995.db2.gz XPVJJJAYHBPEOF-WBVHZDCISA-N 1 3 319.449 0.937 20 0 DCADHO CNC(=O)[C@@H](C)[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001421627361 1008829711 /nfs/dbraw/zinc/82/97/11/1008829711.db2.gz MXTXUPVDVCJBSQ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001454011214 1008853823 /nfs/dbraw/zinc/85/38/23/1008853823.db2.gz GCFZXSCVPFRWKT-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN1CC[C@H](N2CCC(CCNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001421641612 1008858128 /nfs/dbraw/zinc/85/81/28/1008858128.db2.gz ZIWDRFBWLLRBPH-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001421707522 1008966337 /nfs/dbraw/zinc/96/63/37/1008966337.db2.gz KOCJDEBDMOLBEC-MGPQQGTHSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)C1CC[NH+](C)CC1 ZINC001421747037 1009025481 /nfs/dbraw/zinc/02/54/81/1009025481.db2.gz RPHACQWLVAQESV-ZDUSSCGKSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)CNCc1cnns1)[NH+](C)C ZINC001421761460 1009048453 /nfs/dbraw/zinc/04/84/53/1009048453.db2.gz WDCCFFKVQSHDHH-YPMHNXCESA-N 1 3 313.471 0.966 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H](C)C(=O)NC)C(C)(C)C ZINC001442175244 1009055132 /nfs/dbraw/zinc/05/51/32/1009055132.db2.gz ZFTIMCSKLPHCLO-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001442250470 1009134811 /nfs/dbraw/zinc/13/48/11/1009134811.db2.gz VERGCQCPPLJEIU-UHFFFAOYSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001442295769 1009165376 /nfs/dbraw/zinc/16/53/76/1009165376.db2.gz PRLAWCHTWADAJC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)CN(C)C1CCC1 ZINC001421906621 1009243364 /nfs/dbraw/zinc/24/33/64/1009243364.db2.gz XCFSAIIYTWSKCN-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001421986860 1009364536 /nfs/dbraw/zinc/36/45/36/1009364536.db2.gz QSVTWXJZOPWIDX-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCC(=O)N(C)C ZINC001422038257 1009425013 /nfs/dbraw/zinc/42/50/13/1009425013.db2.gz GANWBUVEEGYHSC-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001422040696 1009425088 /nfs/dbraw/zinc/42/50/88/1009425088.db2.gz BIJBAMXIEACITH-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001442531282 1009446109 /nfs/dbraw/zinc/44/61/09/1009446109.db2.gz RURJJXVZEXGNMN-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001422068835 1009453816 /nfs/dbraw/zinc/45/38/16/1009453816.db2.gz VDEFKIKUYQCLEX-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001422102010 1009491136 /nfs/dbraw/zinc/49/11/36/1009491136.db2.gz ZYCMACYVXHYCKZ-AWEZNQCLSA-N 1 3 322.457 0.493 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001422135487 1009533372 /nfs/dbraw/zinc/53/33/72/1009533372.db2.gz NCTLTOCHHVPHHT-CHWSQXEVSA-N 1 3 300.447 0.192 20 0 DCADHO CCCN(C)CC(=O)N(CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001455575436 1009830782 /nfs/dbraw/zinc/83/07/82/1009830782.db2.gz KUQGNLFZBQPVON-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001455575436 1009830801 /nfs/dbraw/zinc/83/08/01/1009830801.db2.gz KUQGNLFZBQPVON-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001422385259 1009994640 /nfs/dbraw/zinc/99/46/40/1009994640.db2.gz XSDUVXQMOGOWRX-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001422416077 1010050996 /nfs/dbraw/zinc/05/09/96/1010050996.db2.gz LYDSHQQXZPNMSA-KBPBESRZSA-N 1 3 322.453 0.710 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001422436392 1010079354 /nfs/dbraw/zinc/07/93/54/1010079354.db2.gz FGWFIZHQTBNJDV-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001422449547 1010103855 /nfs/dbraw/zinc/10/38/55/1010103855.db2.gz UGACBJVSWVJPBC-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001443075459 1010112347 /nfs/dbraw/zinc/11/23/47/1010112347.db2.gz FFIXXBKJILGCMC-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001456297228 1010176213 /nfs/dbraw/zinc/17/62/13/1010176213.db2.gz LHQMHQKRQBWMSY-KBPBESRZSA-N 1 3 324.469 0.526 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001456321907 1010194081 /nfs/dbraw/zinc/19/40/81/1010194081.db2.gz HVVBHBCCOZSMGS-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001456321907 1010194086 /nfs/dbraw/zinc/19/40/86/1010194086.db2.gz HVVBHBCCOZSMGS-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001443228554 1010241178 /nfs/dbraw/zinc/24/11/78/1010241178.db2.gz KGWUASMOKWBGOW-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001443228554 1010241188 /nfs/dbraw/zinc/24/11/88/1010241188.db2.gz KGWUASMOKWBGOW-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001443235717 1010248890 /nfs/dbraw/zinc/24/88/90/1010248890.db2.gz BFFKAVMJVSCXEO-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001443235717 1010248908 /nfs/dbraw/zinc/24/89/08/1010248908.db2.gz BFFKAVMJVSCXEO-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001443249538 1010264575 /nfs/dbraw/zinc/26/45/75/1010264575.db2.gz ROMSUTGVWZWSFW-DZGCQCFKSA-N 1 3 312.458 0.147 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnn(CCOC)c2)CC1 ZINC001422619955 1010411882 /nfs/dbraw/zinc/41/18/82/1010411882.db2.gz HTRMEFVRKHTRQU-MRXNPFEDSA-N 1 3 323.485 0.893 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001422694279 1010495188 /nfs/dbraw/zinc/49/51/88/1010495188.db2.gz CYXSOPKOJCVFFO-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](NCCF)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001422850287 1010672076 /nfs/dbraw/zinc/67/20/76/1010672076.db2.gz GGRNXPNSBWVYKB-HIFRSBDPSA-N 1 3 315.433 0.893 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001422944455 1010762207 /nfs/dbraw/zinc/76/22/07/1010762207.db2.gz FNUKOKOIHKLJOV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001422944455 1010762215 /nfs/dbraw/zinc/76/22/15/1010762215.db2.gz FNUKOKOIHKLJOV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001423038010 1010829349 /nfs/dbraw/zinc/82/93/49/1010829349.db2.gz CLWZJGIDTFSAGR-DOMZBBRYSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001423038010 1010829353 /nfs/dbraw/zinc/82/93/53/1010829353.db2.gz CLWZJGIDTFSAGR-DOMZBBRYSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H]1CCCN(C)C1=O ZINC001423110116 1010895372 /nfs/dbraw/zinc/89/53/72/1010895372.db2.gz QFPUHQFKZMVCPV-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](C[NH2+]Cc1cncn1C)N(C)C(=O)[C@H]1CCCCN1C ZINC001444625376 1011102614 /nfs/dbraw/zinc/10/26/14/1011102614.db2.gz VELYMNRRLXUGGC-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444662936 1011122014 /nfs/dbraw/zinc/12/20/14/1011122014.db2.gz HZFQUXFSDMUWDO-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001444662936 1011122019 /nfs/dbraw/zinc/12/20/19/1011122019.db2.gz HZFQUXFSDMUWDO-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001423481237 1011178558 /nfs/dbraw/zinc/17/85/58/1011178558.db2.gz LBFCXZYMEGWCGN-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(C)(NC(=O)CN(C)C(C)C)CC1 ZINC001423512693 1011200126 /nfs/dbraw/zinc/20/01/26/1011200126.db2.gz GWBZNQGPLYCAKM-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001423526125 1011212477 /nfs/dbraw/zinc/21/24/77/1011212477.db2.gz CKHWOZDSEUJLMZ-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C2CCCC2)C1 ZINC001423546455 1011239686 /nfs/dbraw/zinc/23/96/86/1011239686.db2.gz VBRDOHXKUZDTOQ-OCCSQVGLSA-N 1 3 310.442 0.078 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C2CCCC2)C1 ZINC001423546455 1011239699 /nfs/dbraw/zinc/23/96/99/1011239699.db2.gz VBRDOHXKUZDTOQ-OCCSQVGLSA-N 1 3 310.442 0.078 20 0 DCADHO CN1CCN(CCCCNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC001477924495 1017312228 /nfs/dbraw/zinc/31/22/28/1017312228.db2.gz WJOXDKGKTDTRKB-UHFFFAOYSA-N 1 3 313.490 0.653 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001423762989 1011505930 /nfs/dbraw/zinc/50/59/30/1011505930.db2.gz UYHQOETZFRJRER-XJKSGUPXSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001423762989 1011505935 /nfs/dbraw/zinc/50/59/35/1011505935.db2.gz UYHQOETZFRJRER-XJKSGUPXSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001534152336 1011551672 /nfs/dbraw/zinc/55/16/72/1011551672.db2.gz AVVWXARRANXTQM-AEGPPILISA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)CN(C)C1CCC1 ZINC001445302378 1011628592 /nfs/dbraw/zinc/62/85/92/1011628592.db2.gz NEWQTLIWMLJPAW-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001445499111 1011840873 /nfs/dbraw/zinc/84/08/73/1011840873.db2.gz JZOVGNFJGIMSJF-CYBMUJFWSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC001432036281 1011894506 /nfs/dbraw/zinc/89/45/06/1011894506.db2.gz CHBBZEMLYGWPNU-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001432046500 1011905033 /nfs/dbraw/zinc/90/50/33/1011905033.db2.gz ZIZHWBPUCOSUQV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001432046500 1011905049 /nfs/dbraw/zinc/90/50/49/1011905049.db2.gz ZIZHWBPUCOSUQV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@@H](C)OC)C1 ZINC001424051370 1011918729 /nfs/dbraw/zinc/91/87/29/1011918729.db2.gz ZAZKXQUMYPAAHT-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@@H](C)OC)C1 ZINC001424051370 1011918741 /nfs/dbraw/zinc/91/87/41/1011918741.db2.gz ZAZKXQUMYPAAHT-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@H]([NH3+])[C@H](c3cn(C)cn3)C2)C1 ZINC001553431181 1011968356 /nfs/dbraw/zinc/96/83/56/1011968356.db2.gz AQMDUVWPPNHONA-MJBXVCDLSA-N 1 3 320.441 0.341 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]([NH3+])C3(C2)CCOCC3)C1 ZINC001553439446 1011975684 /nfs/dbraw/zinc/97/56/84/1011975684.db2.gz SWLHMHBNRVMNJP-UONOGXRCSA-N 1 3 310.442 0.620 20 0 DCADHO [NH3+]C1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553493972 1012027220 /nfs/dbraw/zinc/02/72/20/1012027220.db2.gz AURNUQTUFHMPDE-WUCCLRPBSA-N 1 3 310.442 0.497 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553495952 1012030108 /nfs/dbraw/zinc/03/01/08/1012030108.db2.gz KFILLIPPFFZLKE-KFWWJZLASA-N 1 3 310.442 0.227 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553511258 1012054967 /nfs/dbraw/zinc/05/49/67/1012054967.db2.gz BQCQRMAKBFAJDL-ILXRZTDVSA-N 1 3 310.442 0.369 20 0 DCADHO CC1(C)C[NH2+][C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553553942 1012101727 /nfs/dbraw/zinc/10/17/27/1012101727.db2.gz RGLRITLGEGEQEZ-RRFJBIMHSA-N 1 3 324.469 0.615 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001536453948 1012131455 /nfs/dbraw/zinc/13/14/55/1012131455.db2.gz OTJMZCZIFADEPC-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001536453948 1012131470 /nfs/dbraw/zinc/13/14/70/1012131470.db2.gz OTJMZCZIFADEPC-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO Cn1cc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC001560299266 1012444961 /nfs/dbraw/zinc/44/49/61/1012444961.db2.gz QVBSGWLCCFYSIS-UHFFFAOYSA-N 1 3 315.425 0.512 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)N(C)C ZINC001445962699 1012467120 /nfs/dbraw/zinc/46/71/20/1012467120.db2.gz BUVIDWCDZSCSQA-SWLSCSKDSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001432461271 1012517979 /nfs/dbraw/zinc/51/79/79/1012517979.db2.gz OCZOVWNWSOSBRL-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001432461271 1012517996 /nfs/dbraw/zinc/51/79/96/1012517996.db2.gz OCZOVWNWSOSBRL-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C1(C(=O)N2CC(CNC(=O)CCC[NH+](C)C)C2)CCC1 ZINC001432471884 1012532058 /nfs/dbraw/zinc/53/20/58/1012532058.db2.gz JFXODXVJQHWSMI-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001424542366 1012631158 /nfs/dbraw/zinc/63/11/58/1012631158.db2.gz MNJYFROWQBBIBP-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001424542366 1012631172 /nfs/dbraw/zinc/63/11/72/1012631172.db2.gz MNJYFROWQBBIBP-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001424542372 1012631352 /nfs/dbraw/zinc/63/13/52/1012631352.db2.gz MNJYFROWQBBIBP-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001424542372 1012631357 /nfs/dbraw/zinc/63/13/57/1012631357.db2.gz MNJYFROWQBBIBP-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001429753914 1012741150 /nfs/dbraw/zinc/74/11/50/1012741150.db2.gz BMRXPWKGGGQJSW-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO NC1(C(=O)N2CCC3(CC2)C[NH2+]CCO3)Cc2ccccc2C1 ZINC001548587408 1012766695 /nfs/dbraw/zinc/76/66/95/1012766695.db2.gz OOHBVMNXDFKUGJ-UHFFFAOYSA-N 1 3 315.417 0.464 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC001461044649 1013005456 /nfs/dbraw/zinc/00/54/56/1013005456.db2.gz OGUDCAXHSSWAMN-CYBMUJFWSA-N 1 3 308.426 0.917 20 0 DCADHO CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001479591645 1017588493 /nfs/dbraw/zinc/58/84/93/1017588493.db2.gz ZPNHAJIPEPCKIX-ILXRZTDVSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001479591645 1017588503 /nfs/dbraw/zinc/58/85/03/1017588503.db2.gz ZPNHAJIPEPCKIX-ILXRZTDVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(N)=O)C1 ZINC001479572192 1017590267 /nfs/dbraw/zinc/59/02/67/1017590267.db2.gz JSDNIWNKRQJEGS-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCC(N)=O)C1 ZINC001479572192 1017590279 /nfs/dbraw/zinc/59/02/79/1017590279.db2.gz JSDNIWNKRQJEGS-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](C)C[C@H]2CNCC(N)=O)C1 ZINC001479572192 1017590286 /nfs/dbraw/zinc/59/02/86/1017590286.db2.gz JSDNIWNKRQJEGS-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001479696248 1017655108 /nfs/dbraw/zinc/65/51/08/1017655108.db2.gz VMJMNRVKEJXVDN-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(=O)NC ZINC001506951386 1017693803 /nfs/dbraw/zinc/69/38/03/1017693803.db2.gz RBANFVJXIBPLOM-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497049183 1017781869 /nfs/dbraw/zinc/78/18/69/1017781869.db2.gz SMWODXIKWRGWRY-HNNXBMFYSA-N 1 3 320.437 0.299 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H](C)C(N)=O ZINC001479844071 1017872193 /nfs/dbraw/zinc/87/21/93/1017872193.db2.gz XKVURIKQDKNHDD-TZMCWYRMSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497187596 1017953649 /nfs/dbraw/zinc/95/36/49/1017953649.db2.gz DELXYWUQVSSUNC-DZGCQCFKSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001497205108 1017965593 /nfs/dbraw/zinc/96/55/93/1017965593.db2.gz HBUYKVXQYSMBDX-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001497272779 1018010277 /nfs/dbraw/zinc/01/02/77/1018010277.db2.gz SNFAGYZVRFZSFZ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C ZINC001497331273 1018054127 /nfs/dbraw/zinc/05/41/27/1018054127.db2.gz KYIIURNXCBETAM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001494905977 1018144609 /nfs/dbraw/zinc/14/46/09/1018144609.db2.gz NSFWETMMDWDSFH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001494905977 1018144617 /nfs/dbraw/zinc/14/46/17/1018144617.db2.gz NSFWETMMDWDSFH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001480043653 1018153419 /nfs/dbraw/zinc/15/34/19/1018153419.db2.gz OJIWBRGGJHPHHL-HNNXBMFYSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)NC(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480060408 1018172726 /nfs/dbraw/zinc/17/27/26/1018172726.db2.gz PFMQPVZSPMMCSP-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480060408 1018172731 /nfs/dbraw/zinc/17/27/31/1018172731.db2.gz PFMQPVZSPMMCSP-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(CCNC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001497546348 1018206836 /nfs/dbraw/zinc/20/68/36/1018206836.db2.gz HHWASRZSLSPTAU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001480174687 1018281128 /nfs/dbraw/zinc/28/11/28/1018281128.db2.gz YCBPWDGRUIYPAT-HDJSIYSDSA-N 1 3 320.441 0.428 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1n[nH]c(C)n1 ZINC001495095908 1018306695 /nfs/dbraw/zinc/30/66/95/1018306695.db2.gz YWYCHRPPISKDFF-CHWSQXEVSA-N 1 3 308.430 0.439 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C)n1 ZINC001495095908 1018306707 /nfs/dbraw/zinc/30/67/07/1018306707.db2.gz YWYCHRPPISKDFF-CHWSQXEVSA-N 1 3 308.430 0.439 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001480232908 1018345066 /nfs/dbraw/zinc/34/50/66/1018345066.db2.gz RZJUYLUGBWROER-BETUJISGSA-N 1 3 320.441 0.761 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001480232908 1018345076 /nfs/dbraw/zinc/34/50/76/1018345076.db2.gz RZJUYLUGBWROER-BETUJISGSA-N 1 3 320.441 0.761 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001495204459 1018393213 /nfs/dbraw/zinc/39/32/13/1018393213.db2.gz VUZUWBVZOLBHOM-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001495204459 1018393224 /nfs/dbraw/zinc/39/32/24/1018393224.db2.gz VUZUWBVZOLBHOM-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001480301712 1018412766 /nfs/dbraw/zinc/41/27/66/1018412766.db2.gz ZVUITVCOQVULMZ-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001480307873 1018414903 /nfs/dbraw/zinc/41/49/03/1018414903.db2.gz WUEPEJZUQRSLOR-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)NC2CC2)C1 ZINC001497885321 1018497567 /nfs/dbraw/zinc/49/75/67/1018497567.db2.gz OODJITAPKDKRFI-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)NC2CC2)C1 ZINC001497885321 1018497573 /nfs/dbraw/zinc/49/75/73/1018497573.db2.gz OODJITAPKDKRFI-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO COCCC[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001500597310 1018505466 /nfs/dbraw/zinc/50/54/66/1018505466.db2.gz OJFITSYFDBOKFO-UHFFFAOYSA-N 1 3 324.425 0.552 20 0 DCADHO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001497909866 1018509184 /nfs/dbraw/zinc/50/91/84/1018509184.db2.gz DRZCQLCUPPJLEV-ZIAGYGMSSA-N 1 3 320.437 0.321 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495539563 1018567239 /nfs/dbraw/zinc/56/72/39/1018567239.db2.gz FIHZUBLJGZVDFN-TZMCWYRMSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001495539563 1018567246 /nfs/dbraw/zinc/56/72/46/1018567246.db2.gz FIHZUBLJGZVDFN-TZMCWYRMSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C(C)C ZINC001497993689 1018570609 /nfs/dbraw/zinc/57/06/09/1018570609.db2.gz TWFCLWRLZVEMEL-CYBMUJFWSA-N 1 3 300.447 0.288 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001498045282 1018609531 /nfs/dbraw/zinc/60/95/31/1018609531.db2.gz NNBBKIAUIPXKLY-YWPYICTPSA-N 1 3 305.426 0.720 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001498045282 1018609536 /nfs/dbraw/zinc/60/95/36/1018609536.db2.gz NNBBKIAUIPXKLY-YWPYICTPSA-N 1 3 305.426 0.720 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001498117421 1018665496 /nfs/dbraw/zinc/66/54/96/1018665496.db2.gz BFMWXYPFHSLFET-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC(=O)N(C)C ZINC001495744923 1018678794 /nfs/dbraw/zinc/67/87/94/1018678794.db2.gz ZPNHJWPTMCGACC-CYBMUJFWSA-N 1 3 314.474 0.394 20 0 DCADHO CCCCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480575722 1018674080 /nfs/dbraw/zinc/67/40/80/1018674080.db2.gz VXNXCTKKULSKBQ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(C)(C)C ZINC001480574825 1018674573 /nfs/dbraw/zinc/67/45/73/1018674573.db2.gz OCPHWAWNJVGVAJ-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001480576461 1018675779 /nfs/dbraw/zinc/67/57/79/1018675779.db2.gz GGQZCWCKRHLIIW-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480592163 1018691449 /nfs/dbraw/zinc/69/14/49/1018691449.db2.gz XDKKDPUZFIZBMT-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480592163 1018691455 /nfs/dbraw/zinc/69/14/55/1018691455.db2.gz XDKKDPUZFIZBMT-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001498233227 1018789397 /nfs/dbraw/zinc/78/93/97/1018789397.db2.gz KSFFUDDYXLVNKR-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc(CN[C@H]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)nn1 ZINC001480699056 1018789444 /nfs/dbraw/zinc/78/94/44/1018789444.db2.gz RNGYQKBYIAOZGP-KBPBESRZSA-N 1 3 322.457 0.674 20 0 DCADHO Cc1nnc(CNC[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)[nH]1 ZINC001498492331 1019165666 /nfs/dbraw/zinc/16/56/66/1019165666.db2.gz UDZIQTHSCWMYJR-KGLIPLIRSA-N 1 3 322.457 0.829 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001498559902 1019227170 /nfs/dbraw/zinc/22/71/70/1019227170.db2.gz NZZNMFVIHQXYQD-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)C1CC[NH+](C)CC1 ZINC001498606855 1019265642 /nfs/dbraw/zinc/26/56/42/1019265642.db2.gz OBHUHPKPNZZYTB-UHFFFAOYSA-N 1 3 311.455 0.818 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001498630564 1019284352 /nfs/dbraw/zinc/28/43/52/1019284352.db2.gz TZEBVJVYZHRSBF-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO COc1ncccc1CNCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001498654551 1019305885 /nfs/dbraw/zinc/30/58/85/1019305885.db2.gz ATSXTMXQRVUQTD-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ncccc1CNCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498654551 1019305896 /nfs/dbraw/zinc/30/58/96/1019305896.db2.gz ATSXTMXQRVUQTD-HNNXBMFYSA-N 1 3 320.437 0.980 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501864750 1019528839 /nfs/dbraw/zinc/52/88/39/1019528839.db2.gz LMZHPDLEDYWJOM-RYIMYRPNSA-N 1 3 322.453 0.069 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501864750 1019528850 /nfs/dbraw/zinc/52/88/50/1019528850.db2.gz LMZHPDLEDYWJOM-RYIMYRPNSA-N 1 3 322.453 0.069 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001493681929 1019626519 /nfs/dbraw/zinc/62/65/19/1019626519.db2.gz RNLGYCHFTQTLSD-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494056479 1019952178 /nfs/dbraw/zinc/95/21/78/1019952178.db2.gz WVSVUZUOXUFPQY-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494056479 1019952192 /nfs/dbraw/zinc/95/21/92/1019952192.db2.gz WVSVUZUOXUFPQY-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC)C1 ZINC001494171254 1020041038 /nfs/dbraw/zinc/04/10/38/1020041038.db2.gz HYMNWSVGEYYUEG-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001494171254 1020041049 /nfs/dbraw/zinc/04/10/49/1020041049.db2.gz HYMNWSVGEYYUEG-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000410472253 282251258 /nfs/dbraw/zinc/25/12/58/282251258.db2.gz RJVQBIYXRKSIHF-WMLDXEAASA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410472253 282251265 /nfs/dbraw/zinc/25/12/65/282251265.db2.gz RJVQBIYXRKSIHF-WMLDXEAASA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCOC2(CNC2)C1 ZINC000333853363 295933848 /nfs/dbraw/zinc/93/38/48/295933848.db2.gz XTGVKWJNTZVIRD-KFWWJZLASA-N 1 3 324.469 0.737 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410917168 239381390 /nfs/dbraw/zinc/38/13/90/239381390.db2.gz UFAJSEVDFNKWHG-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000566676889 291317567 /nfs/dbraw/zinc/31/75/67/291317567.db2.gz WCMBAGIGESENSN-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H](CN)C1CC1)C(C)C ZINC000420067108 240013359 /nfs/dbraw/zinc/01/33/59/240013359.db2.gz RXISKVIHVPENHT-CQSZACIVSA-N 1 3 312.458 0.417 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000423589895 240221384 /nfs/dbraw/zinc/22/13/84/240221384.db2.gz IJQJCEAFMOQACG-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO N[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)C1 ZINC000567179889 291341837 /nfs/dbraw/zinc/34/18/37/291341837.db2.gz XQARNZRFMPOZJP-JKSUJKDBSA-N 1 3 318.469 0.848 20 0 DCADHO CCOCC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000567262268 291345789 /nfs/dbraw/zinc/34/57/89/291345789.db2.gz ITSLWMSJSFYMOZ-ARFHVFGLSA-N 1 3 300.443 0.741 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000486976333 241076768 /nfs/dbraw/zinc/07/67/68/241076768.db2.gz ZFHUBRSWJBNOIV-BFYDXBDKSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000486976333 241076772 /nfs/dbraw/zinc/07/67/72/241076772.db2.gz ZFHUBRSWJBNOIV-BFYDXBDKSA-N 1 3 322.497 0.811 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(CCCO)C1 ZINC000457837536 241041232 /nfs/dbraw/zinc/04/12/32/241041232.db2.gz OTXOFIIUSCBIKI-OAGGEKHMSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(CCCO)C1 ZINC000457837536 241041238 /nfs/dbraw/zinc/04/12/38/241041238.db2.gz OTXOFIIUSCBIKI-OAGGEKHMSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@@H](C[C@@H]1COCCN1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567638774 291366573 /nfs/dbraw/zinc/36/65/73/291366573.db2.gz BTFBOWMOVSFNHT-UONOGXRCSA-N 1 3 305.426 0.670 20 0 DCADHO CN(C)[C@H](CNC(=O)CN(C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000567893085 291388494 /nfs/dbraw/zinc/38/84/94/291388494.db2.gz RMAQJRHJTDXPBR-JKSUJKDBSA-N 1 3 304.438 0.699 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000568501611 291431464 /nfs/dbraw/zinc/43/14/64/291431464.db2.gz SFTABMJBHRQKPY-UONOGXRCSA-N 1 3 308.430 0.244 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000569868539 291500500 /nfs/dbraw/zinc/50/05/00/291500500.db2.gz GQCRDYUPDYDRMG-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCCC1 ZINC000388829788 335025553 /nfs/dbraw/zinc/02/55/53/335025553.db2.gz MGEWMWQOHKVPRV-LBPRGKRZSA-N 1 3 306.414 0.417 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000339581161 284627259 /nfs/dbraw/zinc/62/72/59/284627259.db2.gz MFYDGMUPIALGPF-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+](CC)CC ZINC000339578293 253107846 /nfs/dbraw/zinc/10/78/46/253107846.db2.gz AGUZLXBWAXDMBL-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000339587846 253109253 /nfs/dbraw/zinc/10/92/53/253109253.db2.gz RWQKXYFIZNOCFR-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000339587846 253109256 /nfs/dbraw/zinc/10/92/56/253109256.db2.gz RWQKXYFIZNOCFR-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000339643707 253120453 /nfs/dbraw/zinc/12/04/53/253120453.db2.gz CCQOVZPIQJFBOI-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCCC[NH+](CC)CC)CC1 ZINC000339667401 253122923 /nfs/dbraw/zinc/12/29/23/253122923.db2.gz CEIZFDWRPQORCQ-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000340210125 253217709 /nfs/dbraw/zinc/21/77/09/253217709.db2.gz YSDYYZBVYYNOMR-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000341049774 253339006 /nfs/dbraw/zinc/33/90/06/253339006.db2.gz QARZAHBNYXESKP-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000341286709 253364429 /nfs/dbraw/zinc/36/44/29/253364429.db2.gz PQTSWJHIYMLKLU-DZGCQCFKSA-N 1 3 312.458 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000341286709 253364432 /nfs/dbraw/zinc/36/44/32/253364432.db2.gz PQTSWJHIYMLKLU-DZGCQCFKSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@H](CN(C)C)NC(=O)C[C@H](C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346165017 254017961 /nfs/dbraw/zinc/01/79/61/254017961.db2.gz DKCJLRDYZDYHDN-BTTYYORXSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@@H](CC(=O)N[C@H](C)C[NH+](C)C)CC(=O)N[C@@H](C)CN(C)C ZINC000346165017 254017963 /nfs/dbraw/zinc/01/79/63/254017963.db2.gz DKCJLRDYZDYHDN-BTTYYORXSA-N 1 3 314.474 0.535 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000347049623 254125305 /nfs/dbraw/zinc/12/53/05/254125305.db2.gz NDIUVPIEQQELLW-SOUVJXGZSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000347049623 254125306 /nfs/dbraw/zinc/12/53/06/254125306.db2.gz NDIUVPIEQQELLW-SOUVJXGZSA-N 1 3 310.442 0.633 20 0 DCADHO COC(=O)c1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c[nH]1 ZINC000347135928 254133103 /nfs/dbraw/zinc/13/31/03/254133103.db2.gz SWJQJXAZESFSJQ-LBPRGKRZSA-N 1 3 308.382 0.088 20 0 DCADHO COC[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347266524 254143485 /nfs/dbraw/zinc/14/34/85/254143485.db2.gz LJRWZCMTBFBXBI-ZBFHGGJFSA-N 1 3 307.438 0.900 20 0 DCADHO COC[C@H](C)N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347266522 254143665 /nfs/dbraw/zinc/14/36/65/254143665.db2.gz LJRWZCMTBFBXBI-GOEBONIOSA-N 1 3 307.438 0.900 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347978845 254208262 /nfs/dbraw/zinc/20/82/62/254208262.db2.gz QCEJQPBLGWYKPV-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000347978845 254208263 /nfs/dbraw/zinc/20/82/63/254208263.db2.gz QCEJQPBLGWYKPV-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000347967784 254205916 /nfs/dbraw/zinc/20/59/16/254205916.db2.gz HARXVRPDLNQMOI-MGPQQGTHSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000347967784 254205918 /nfs/dbraw/zinc/20/59/18/254205918.db2.gz HARXVRPDLNQMOI-MGPQQGTHSA-N 1 3 310.442 0.138 20 0 DCADHO CCC[C@@](C)(N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353667964 254465102 /nfs/dbraw/zinc/46/51/02/254465102.db2.gz LFTWWCXRLBNJNM-MRXNPFEDSA-N 1 3 312.458 0.563 20 0 DCADHO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000271562200 209016307 /nfs/dbraw/zinc/01/63/07/209016307.db2.gz XVNPMEJTERPTPA-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000417442280 262252354 /nfs/dbraw/zinc/25/23/54/262252354.db2.gz TVNYGZJNTPMARA-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000375719747 285595843 /nfs/dbraw/zinc/59/58/43/285595843.db2.gz OWGOMALQJUZGOB-CHWSQXEVSA-N 1 3 307.394 0.706 20 0 DCADHO Cc1nn(C)c(C)c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519350 395831976 /nfs/dbraw/zinc/83/19/76/395831976.db2.gz AOKMHGRPEWDMFC-UHFFFAOYSA-N 1 3 321.469 0.927 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237028313 395901464 /nfs/dbraw/zinc/90/14/64/395901464.db2.gz WTVMVKXZVZXHBB-PBHICJAKSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COC3CCOCC3)CC[C@H]21 ZINC000248033560 395981317 /nfs/dbraw/zinc/98/13/17/395981317.db2.gz QZKSRBUPDOPCLZ-HLLBOEOZSA-N 1 3 312.454 0.959 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COC3CCOCC3)CC[C@H]21 ZINC000248033560 395981321 /nfs/dbraw/zinc/98/13/21/395981321.db2.gz QZKSRBUPDOPCLZ-HLLBOEOZSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COC3CCOCC3)CC[C@H]21 ZINC000248033560 395981322 /nfs/dbraw/zinc/98/13/22/395981322.db2.gz QZKSRBUPDOPCLZ-HLLBOEOZSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COC3CCOCC3)CC[C@H]21 ZINC000248033560 395981324 /nfs/dbraw/zinc/98/13/24/395981324.db2.gz QZKSRBUPDOPCLZ-HLLBOEOZSA-N 1 3 312.454 0.959 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)COC3CCOCC3)CC[C@@H]21 ZINC000248033563 395981561 /nfs/dbraw/zinc/98/15/61/395981561.db2.gz QZKSRBUPDOPCLZ-INMHGKMJSA-N 1 3 312.454 0.959 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)COC3CCOCC3)CC[C@@H]21 ZINC000248033563 395981563 /nfs/dbraw/zinc/98/15/63/395981563.db2.gz QZKSRBUPDOPCLZ-INMHGKMJSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COC3CCOCC3)CC[C@@H]21 ZINC000248033563 395981565 /nfs/dbraw/zinc/98/15/65/395981565.db2.gz QZKSRBUPDOPCLZ-INMHGKMJSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COC3CCOCC3)CC[C@@H]21 ZINC000248033563 395981567 /nfs/dbraw/zinc/98/15/67/395981567.db2.gz QZKSRBUPDOPCLZ-INMHGKMJSA-N 1 3 312.454 0.959 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000261696155 396057741 /nfs/dbraw/zinc/05/77/41/396057741.db2.gz JNASVMVDRABUGD-AWEZNQCLSA-N 1 3 319.405 0.745 20 0 DCADHO c1ncn(-c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)n1 ZINC000262137111 396102952 /nfs/dbraw/zinc/10/29/52/396102952.db2.gz OXMMYPQUEFNSNG-QGZVFWFLSA-N 1 3 312.421 0.747 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000073103801 396142103 /nfs/dbraw/zinc/14/21/03/396142103.db2.gz DDGYYUIRDVJHQG-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000073103801 396142105 /nfs/dbraw/zinc/14/21/05/396142105.db2.gz DDGYYUIRDVJHQG-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1C ZINC000262252088 396115054 /nfs/dbraw/zinc/11/50/54/396115054.db2.gz LQDSPFYRHMMFEK-ZIAGYGMSSA-N 1 3 305.426 0.561 20 0 DCADHO C[C@H](C[NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000262322723 396123808 /nfs/dbraw/zinc/12/38/08/396123808.db2.gz FJVITXCYDSKQCM-CQSZACIVSA-N 1 3 304.438 0.645 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)CC1=O ZINC000072969525 396139964 /nfs/dbraw/zinc/13/99/64/396139964.db2.gz YFMXKTIUAUDBLF-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1CCN(S(C)(=O)=O)CC1 ZINC000162270826 396080627 /nfs/dbraw/zinc/08/06/27/396080627.db2.gz XAJJZHNUHOWLSE-ZDUSSCGKSA-N 1 3 303.472 0.827 20 0 DCADHO CN(CC[C@@H]1CCC[N@H+]1C)C1CCN(S(C)(=O)=O)CC1 ZINC000162270826 396080632 /nfs/dbraw/zinc/08/06/32/396080632.db2.gz XAJJZHNUHOWLSE-ZDUSSCGKSA-N 1 3 303.472 0.827 20 0 DCADHO C[NH+](C)C1(CNC(=O)[C@H](CN)c2ccccc2)CCOCC1 ZINC000178791771 396208679 /nfs/dbraw/zinc/20/86/79/396208679.db2.gz SEPRZVMBYBDHSR-OAHLLOKOSA-N 1 3 305.422 0.956 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C(C)(C)[NH3+])cc1 ZINC000262664766 396169707 /nfs/dbraw/zinc/16/97/07/396169707.db2.gz ITDRTDVBNSFPFL-UHFFFAOYSA-N 1 3 306.410 0.332 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCCCN1CCc2ccccc2C1 ZINC000262859099 396187908 /nfs/dbraw/zinc/18/79/08/396187908.db2.gz KZSTZUIABGKLSH-INIZCTEOSA-N 1 3 305.422 0.915 20 0 DCADHO CC(C)(C)[C@H](NC/C=C/C[NH2+][C@H](C(N)=O)C(C)(C)C)C(N)=O ZINC000264555480 396290690 /nfs/dbraw/zinc/29/06/90/396290690.db2.gz LPPJRFUQQYBBNE-IDDPWSFUSA-N 1 3 312.458 0.522 20 0 DCADHO COC(C)(C)[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000340475848 292076767 /nfs/dbraw/zinc/07/67/67/292076767.db2.gz OTPNRYPKIORWBL-OAHLLOKOSA-N 1 3 301.475 0.780 20 0 DCADHO C[C@@H](NCCCS(N)(=O)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185710094 396333220 /nfs/dbraw/zinc/33/32/20/396333220.db2.gz UOTAKGXKGOIWAY-OLZOCXBDSA-N 1 3 303.472 0.908 20 0 DCADHO C[C@@H](NCCCS(N)(=O)=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710094 396333221 /nfs/dbraw/zinc/33/32/21/396333221.db2.gz UOTAKGXKGOIWAY-OLZOCXBDSA-N 1 3 303.472 0.908 20 0 DCADHO C[C@@H]([NH2+]CCCS(N)(=O)=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185710094 396333225 /nfs/dbraw/zinc/33/32/25/396333225.db2.gz UOTAKGXKGOIWAY-OLZOCXBDSA-N 1 3 303.472 0.908 20 0 DCADHO CCN(CCO)CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000187132274 396363630 /nfs/dbraw/zinc/36/36/30/396363630.db2.gz SQAZKTIAPGTVRI-UHFFFAOYSA-N 1 3 322.453 0.862 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000187975513 396376850 /nfs/dbraw/zinc/37/68/50/396376850.db2.gz OBQCTSBIQQUAAF-LSDHHAIUSA-N 1 3 313.442 0.369 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[N@H+](C)CCOC)C1(C)C ZINC000188092069 396379033 /nfs/dbraw/zinc/37/90/33/396379033.db2.gz MZUUFMOQDBOBAF-BBRMVZONSA-N 1 3 315.458 0.603 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[N@@H+](C)CCOC)C1(C)C ZINC000188092069 396379037 /nfs/dbraw/zinc/37/90/37/396379037.db2.gz MZUUFMOQDBOBAF-BBRMVZONSA-N 1 3 315.458 0.603 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])C2)nn1 ZINC000580774130 396498903 /nfs/dbraw/zinc/49/89/03/396498903.db2.gz ZMGFTMAKVRWSBZ-BPLDGKMQSA-N 1 3 320.441 0.808 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])C2)nn1 ZINC000580774134 396499320 /nfs/dbraw/zinc/49/93/20/396499320.db2.gz ZMGFTMAKVRWSBZ-YUELXQCFSA-N 1 3 320.441 0.808 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)C[C@@H]2CSCCN2)CC1 ZINC000580187872 396491942 /nfs/dbraw/zinc/49/19/42/396491942.db2.gz GLASGNAOCVIWJJ-ZIAGYGMSSA-N 1 3 315.483 0.291 20 0 DCADHO CN1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](CN)C1 ZINC000581121236 396527458 /nfs/dbraw/zinc/52/74/58/396527458.db2.gz PUWNKUUYYGRLIC-KBPBESRZSA-N 1 3 313.490 0.637 20 0 DCADHO CCN1CCN(CCCC[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000595141484 396556134 /nfs/dbraw/zinc/55/61/34/396556134.db2.gz NEQJTCFRKLJPOZ-MRXNPFEDSA-N 1 3 320.485 0.932 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000373040509 396561678 /nfs/dbraw/zinc/56/16/78/396561678.db2.gz SCFAVUSIBMVRCA-SMDDNHRTSA-N 1 3 318.425 0.415 20 0 DCADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@@H]2CCC[C@@H]21 ZINC000560528331 396619366 /nfs/dbraw/zinc/61/93/66/396619366.db2.gz PSBBOXSYJFKKSM-YDHLFZDLSA-N 1 3 303.410 0.669 20 0 DCADHO C[N@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@@H]2CCC[C@@H]21 ZINC000560528331 396619371 /nfs/dbraw/zinc/61/93/71/396619371.db2.gz PSBBOXSYJFKKSM-YDHLFZDLSA-N 1 3 303.410 0.669 20 0 DCADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Cn1cccn1 ZINC000584834656 396627245 /nfs/dbraw/zinc/62/72/45/396627245.db2.gz UUKNPGPZPMHTRQ-OAGGEKHMSA-N 1 3 308.426 0.211 20 0 DCADHO COCC1(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CC[NH2+]CC1 ZINC000562816363 396682083 /nfs/dbraw/zinc/68/20/83/396682083.db2.gz OWZCKKVJCYBPDI-OAHLLOKOSA-N 1 3 324.469 0.882 20 0 DCADHO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@@H]1C ZINC000596107077 396717643 /nfs/dbraw/zinc/71/76/43/396717643.db2.gz UYCVWNOYAQEAEO-MELADBBJSA-N 1 3 311.426 0.315 20 0 DCADHO COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@@H]1C ZINC000596107077 396717644 /nfs/dbraw/zinc/71/76/44/396717644.db2.gz UYCVWNOYAQEAEO-MELADBBJSA-N 1 3 311.426 0.315 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(=O)NC)CC2)CC1 ZINC000563895979 396792145 /nfs/dbraw/zinc/79/21/45/396792145.db2.gz BKQWWILPLKRTSI-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCOc1cc(CNC[C@H](O)C[NH+]2CCCC2)ccn1 ZINC000629573503 396792826 /nfs/dbraw/zinc/79/28/26/396792826.db2.gz DLHRPXPLVQBQDJ-INIZCTEOSA-N 1 3 322.453 0.568 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000316940237 396799119 /nfs/dbraw/zinc/79/91/19/396799119.db2.gz GCWALYQFLKIOON-NFAWXSAZSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000316940237 396799126 /nfs/dbraw/zinc/79/91/26/396799126.db2.gz GCWALYQFLKIOON-NFAWXSAZSA-N 1 3 310.442 0.029 20 0 DCADHO O[C@@H](CNC1CCN(c2cccnn2)CC1)C[NH+]1CCCC1 ZINC000629574454 396794794 /nfs/dbraw/zinc/79/47/94/396794794.db2.gz HTKDJAGGQVHDMH-HNNXBMFYSA-N 1 3 305.426 0.492 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000629792508 396835668 /nfs/dbraw/zinc/83/56/68/396835668.db2.gz QWSUZNKAJYJZEF-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000629792508 396835673 /nfs/dbraw/zinc/83/56/73/396835673.db2.gz QWSUZNKAJYJZEF-UHFFFAOYSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C1 ZINC000332611806 396887114 /nfs/dbraw/zinc/88/71/14/396887114.db2.gz LWHYJYPJDSEUIG-XQLPTFJDSA-N 1 3 322.453 0.267 20 0 DCADHO O=C([C@@H]1CNCc2ccccc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564932732 396902323 /nfs/dbraw/zinc/90/23/23/396902323.db2.gz CUCIXSYKCIDNOK-NVXWUHKLSA-N 1 3 314.433 0.380 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000611652417 396902803 /nfs/dbraw/zinc/90/28/03/396902803.db2.gz YRPKPYWJQZTAJK-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1 ZINC000611652417 396902811 /nfs/dbraw/zinc/90/28/11/396902811.db2.gz YRPKPYWJQZTAJK-YDHLFZDLSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)[C@@H](CNC(=O)CN1C[C@@H]2COC[C@@H]2C1)c1ccccc1 ZINC000634779941 396915810 /nfs/dbraw/zinc/91/58/10/396915810.db2.gz MANNAPUKQLNFGB-BBWFWOEESA-N 1 3 317.433 0.984 20 0 DCADHO O=C(NCC[NH2+]C1CCCCCC1)N1CCOC2(CNC2)C1 ZINC000333756081 396932539 /nfs/dbraw/zinc/93/25/39/396932539.db2.gz ZTXJXGOADJQXCU-UHFFFAOYSA-N 1 3 310.442 0.683 20 0 DCADHO CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000571443365 396953425 /nfs/dbraw/zinc/95/34/25/396953425.db2.gz AIWNVZUHTVMZAU-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340805361 396973571 /nfs/dbraw/zinc/97/35/71/396973571.db2.gz VCZMFEKRSQJGIX-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340805361 396973577 /nfs/dbraw/zinc/97/35/77/396973577.db2.gz VCZMFEKRSQJGIX-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000572479624 397062563 /nfs/dbraw/zinc/06/25/63/397062563.db2.gz BEENMOSKYWSDNQ-LBPRGKRZSA-N 1 3 311.426 0.233 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000572599519 397075964 /nfs/dbraw/zinc/07/59/64/397075964.db2.gz ABISDQGVXMMIME-CHWSQXEVSA-N 1 3 300.447 0.864 20 0 DCADHO COC[C@]1(CNC(=O)[C@H]2CNCc3ccccc32)CCC[NH2+]1 ZINC000573486231 397173087 /nfs/dbraw/zinc/17/30/87/397173087.db2.gz HFUPSNGBDUZPQW-DOTOQJQBSA-N 1 3 303.406 0.758 20 0 DCADHO C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)N1CC(C)C1 ZINC000573739064 397199864 /nfs/dbraw/zinc/19/98/64/397199864.db2.gz BBMUWMJQBJWFDF-HNNXBMFYSA-N 1 3 310.486 0.716 20 0 DCADHO C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)N1CC(C)C1 ZINC000573739064 397199869 /nfs/dbraw/zinc/19/98/69/397199869.db2.gz BBMUWMJQBJWFDF-HNNXBMFYSA-N 1 3 310.486 0.716 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000574262072 397249494 /nfs/dbraw/zinc/24/94/94/397249494.db2.gz XDUOAOMFWUTWJX-CAOSSQGBSA-N 1 3 300.406 0.778 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592960684 397304996 /nfs/dbraw/zinc/30/49/96/397304996.db2.gz CJAZXBLBIMWQNO-JMSVASOKSA-N 1 3 317.437 0.932 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000578055111 397383916 /nfs/dbraw/zinc/38/39/16/397383916.db2.gz BVQQCGUWYHOAHG-SOUVJXGZSA-N 1 3 322.453 0.317 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000577833745 397364713 /nfs/dbraw/zinc/36/47/13/397364713.db2.gz BJWDUWOXIIKJHG-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000578458354 397439644 /nfs/dbraw/zinc/43/96/44/397439644.db2.gz UDYKLJRXRDHOLR-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000578521677 397447855 /nfs/dbraw/zinc/44/78/55/397447855.db2.gz HMRFRMARPCPXBE-ZDUSSCGKSA-N 1 3 318.421 0.993 20 0 DCADHO C[C@H]1CN(CCc2cnn(C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370150948 397448191 /nfs/dbraw/zinc/44/81/91/397448191.db2.gz TYEZGVFFPSKOMH-DOTOQJQBSA-N 1 3 305.470 0.920 20 0 DCADHO OCCN1CCN(CCCC[NH2+]C[C@H]2CCSC2)CC1 ZINC000487294072 397468118 /nfs/dbraw/zinc/46/81/18/397468118.db2.gz AIWXOHUFUIJXCN-OAHLLOKOSA-N 1 3 301.500 0.719 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000578744258 397476933 /nfs/dbraw/zinc/47/69/33/397476933.db2.gz YEBYMPCLBSUNBU-GJZGRUSLSA-N 1 3 313.490 0.509 20 0 DCADHO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000371344407 397575265 /nfs/dbraw/zinc/57/52/65/397575265.db2.gz MCUCYQYYWBGFCK-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494696860 397532051 /nfs/dbraw/zinc/53/20/51/397532051.db2.gz ACXPJCXBYHKIIW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000579960501 397600735 /nfs/dbraw/zinc/60/07/35/397600735.db2.gz WSURYDCICJXZHF-BZSNNMDCSA-N 1 3 319.449 0.765 20 0 DCADHO CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000579960501 397600738 /nfs/dbraw/zinc/60/07/38/397600738.db2.gz WSURYDCICJXZHF-BZSNNMDCSA-N 1 3 319.449 0.765 20 0 DCADHO Cc1nccn1CCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607233948 397698982 /nfs/dbraw/zinc/69/89/82/397698982.db2.gz OFNDAUJFXGEASE-UHFFFAOYSA-N 1 3 324.473 0.716 20 0 DCADHO CN1CCC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000121388086 158210805 /nfs/dbraw/zinc/21/08/05/158210805.db2.gz KMEUNXSDZPMNAX-INIZCTEOSA-N 1 3 308.470 0.755 20 0 DCADHO COCC[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000165845406 158366148 /nfs/dbraw/zinc/36/61/48/158366148.db2.gz XSDQYYYRKVOUKZ-INIZCTEOSA-N 1 3 305.422 0.783 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000316702263 159003053 /nfs/dbraw/zinc/00/30/53/159003053.db2.gz IWNCTTMCIUZULK-XHSDSOJGSA-N 1 3 303.406 0.536 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000316702263 159003055 /nfs/dbraw/zinc/00/30/55/159003055.db2.gz IWNCTTMCIUZULK-XHSDSOJGSA-N 1 3 303.406 0.536 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH+]1CCCCCC1 ZINC000352014241 159245148 /nfs/dbraw/zinc/24/51/48/159245148.db2.gz MLHJIVVABPJFEX-HNNXBMFYSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000121933888 286956695 /nfs/dbraw/zinc/95/66/95/286956695.db2.gz IDCCCZHNLGDORZ-AJNGGQMLSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000151170689 287032291 /nfs/dbraw/zinc/03/22/91/287032291.db2.gz WMJJWYKEVJYQGY-CQSZACIVSA-N 1 3 314.474 0.936 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC(=O)C1 ZINC000152169177 287039469 /nfs/dbraw/zinc/03/94/69/287039469.db2.gz PNJGDHYMKWCZQL-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC(=O)C1 ZINC000152169177 287039471 /nfs/dbraw/zinc/03/94/71/287039471.db2.gz PNJGDHYMKWCZQL-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336855717 287086629 /nfs/dbraw/zinc/08/66/29/287086629.db2.gz IXOQEUPVAPOFAQ-CZUORRHYSA-N 1 3 309.454 0.774 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1CN(C)C ZINC000415828319 287237929 /nfs/dbraw/zinc/23/79/29/287237929.db2.gz BIUNTTFNFUEKRV-IUODEOHRSA-N 1 3 318.421 0.801 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])N(C)Cc1ccccc1 ZINC000418941437 287254274 /nfs/dbraw/zinc/25/42/74/287254274.db2.gz HWWJFMQUMFAKCC-CYBMUJFWSA-N 1 3 320.437 0.477 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000418992122 287259173 /nfs/dbraw/zinc/25/91/73/287259173.db2.gz ZKWRUVDVIJGNRD-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000418992122 287259174 /nfs/dbraw/zinc/25/91/74/287259174.db2.gz ZKWRUVDVIJGNRD-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418956795 287258023 /nfs/dbraw/zinc/25/80/23/287258023.db2.gz ZILNYTWZKUWOPJ-IHRRRGAJSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419179323 287270756 /nfs/dbraw/zinc/27/07/56/287270756.db2.gz HYTRIIACNOCHMD-DZGCQCFKSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419179323 287270759 /nfs/dbraw/zinc/27/07/59/287270759.db2.gz HYTRIIACNOCHMD-DZGCQCFKSA-N 1 3 324.469 0.705 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000419340579 287282101 /nfs/dbraw/zinc/28/21/01/287282101.db2.gz XDFBZHBKAYNMEF-BZPMIXESSA-N 1 3 310.442 0.219 20 0 DCADHO COC(=O)CC1(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000420318046 287289913 /nfs/dbraw/zinc/28/99/13/287289913.db2.gz VMGXJFXPBNETHA-CYBMUJFWSA-N 1 3 311.426 0.649 20 0 DCADHO CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335538 287291307 /nfs/dbraw/zinc/29/13/07/287291307.db2.gz HYMJRLVHOUFCDM-STQMWFEESA-N 1 3 310.442 0.932 20 0 DCADHO CCN1CCN(C(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000420336379 287291755 /nfs/dbraw/zinc/29/17/55/287291755.db2.gz MFALVIIYLYRUIV-OAGGEKHMSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000332096014 415244182 /nfs/dbraw/zinc/24/41/82/415244182.db2.gz PJTFNMZCNIMJNP-KBPBESRZSA-N 1 3 322.453 0.459 20 0 DCADHO CN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000342666925 415248706 /nfs/dbraw/zinc/24/87/06/415248706.db2.gz OLBMPODVOANULC-GJZGRUSLSA-N 1 3 312.458 0.615 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000074160528 415429500 /nfs/dbraw/zinc/42/95/00/415429500.db2.gz FRTIFOARIAVRRV-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000074160528 415429509 /nfs/dbraw/zinc/42/95/09/415429509.db2.gz FRTIFOARIAVRRV-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CN1CCC[C@@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000073216590 415420748 /nfs/dbraw/zinc/42/07/48/415420748.db2.gz PZBXGWVWBXSYRK-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343152539 415472707 /nfs/dbraw/zinc/47/27/07/415472707.db2.gz OUQWRSQOIRLTTK-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343152539 415472713 /nfs/dbraw/zinc/47/27/13/415472713.db2.gz OUQWRSQOIRLTTK-OAGGEKHMSA-N 1 3 308.470 0.613 20 0 DCADHO Cc1nn(C)c(C)c1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210777 415614921 /nfs/dbraw/zinc/61/49/21/415614921.db2.gz ZFEMEPGEEWCPBG-UHFFFAOYSA-N 1 3 309.458 0.531 20 0 DCADHO CCN1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000333580789 415688297 /nfs/dbraw/zinc/68/82/97/415688297.db2.gz NWFZPAMQKYOGNQ-LSDHHAIUSA-N 1 3 320.441 0.341 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343770097 415721550 /nfs/dbraw/zinc/72/15/50/415721550.db2.gz MLNVOPLETYWTDB-JALIKCBVSA-N 1 3 307.438 0.744 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343778665 415724180 /nfs/dbraw/zinc/72/41/80/415724180.db2.gz ZKHPRIUEFJHZAP-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343778665 415724184 /nfs/dbraw/zinc/72/41/84/415724184.db2.gz ZKHPRIUEFJHZAP-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCCN1C ZINC000343739471 415705880 /nfs/dbraw/zinc/70/58/80/415705880.db2.gz DNUJMSIPHKZPJI-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333792673 415740314 /nfs/dbraw/zinc/74/03/14/415740314.db2.gz GKVFLMGAHRFARD-GDBMZVCRSA-N 1 3 324.469 0.738 20 0 DCADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336842904 415833475 /nfs/dbraw/zinc/83/34/75/415833475.db2.gz UVNJAZVGXIXSGO-TZMCWYRMSA-N 1 3 300.447 0.178 20 0 DCADHO CC[NH+](CC)CC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000336873753 415848844 /nfs/dbraw/zinc/84/88/44/415848844.db2.gz UQRLNAZIHBETNJ-UHFFFAOYSA-N 1 3 322.453 0.638 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC(CC[NH+](C)C)CC1 ZINC000336822392 415820350 /nfs/dbraw/zinc/82/03/50/415820350.db2.gz LNCSUPBEYFBANP-UHFFFAOYSA-N 1 3 305.488 0.932 20 0 DCADHO CN1CCN(C)[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294157025 415869820 /nfs/dbraw/zinc/86/98/20/415869820.db2.gz ICAJJZBZECFROB-KRWDZBQOSA-N 1 3 303.454 0.886 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000356204357 415882270 /nfs/dbraw/zinc/88/22/70/415882270.db2.gz MLVDMHZBRQWSLJ-LSDHHAIUSA-N 1 3 303.410 0.841 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000356204357 415882278 /nfs/dbraw/zinc/88/22/78/415882278.db2.gz MLVDMHZBRQWSLJ-LSDHHAIUSA-N 1 3 303.410 0.841 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000128020164 415896421 /nfs/dbraw/zinc/89/64/21/415896421.db2.gz SMMPOHNZFDCZML-PMPSAXMXSA-N 1 3 310.486 0.894 20 0 DCADHO C[C@@H]1CN(CCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000337307679 415941395 /nfs/dbraw/zinc/94/13/95/415941395.db2.gz WVRROCXUAIDMIA-KZNAEPCWSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000337307679 415941400 /nfs/dbraw/zinc/94/14/00/415941400.db2.gz WVRROCXUAIDMIA-KZNAEPCWSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CCO1 ZINC000337307679 415941406 /nfs/dbraw/zinc/94/14/06/415941406.db2.gz WVRROCXUAIDMIA-KZNAEPCWSA-N 1 3 324.513 0.665 20 0 DCADHO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CCC2)CC1 ZINC000337645631 415990217 /nfs/dbraw/zinc/99/02/17/415990217.db2.gz HGNNSVBLHMIBDZ-OAHLLOKOSA-N 1 3 311.474 0.265 20 0 DCADHO CCCC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338027411 416034646 /nfs/dbraw/zinc/03/46/46/416034646.db2.gz BXUPYYMRVZAAER-WDEREUQCSA-N 1 3 310.364 0.456 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H](C)Cn2ccnc2C)CC1 ZINC000338050961 416039906 /nfs/dbraw/zinc/03/99/06/416039906.db2.gz AETHXCDUTNRKSY-HNNXBMFYSA-N 1 3 321.469 0.971 20 0 DCADHO CC[NH+]1CCN(CCC(=O)NC[C@H](C)Cn2ccnc2C)CC1 ZINC000338050961 416039912 /nfs/dbraw/zinc/03/99/12/416039912.db2.gz AETHXCDUTNRKSY-HNNXBMFYSA-N 1 3 321.469 0.971 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)CC1=O ZINC000178728559 416170521 /nfs/dbraw/zinc/17/05/21/416170521.db2.gz VAFZJKKYNCONLF-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340508023 416190575 /nfs/dbraw/zinc/19/05/75/416190575.db2.gz HYKICHKDDMSTMX-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340508023 416190580 /nfs/dbraw/zinc/19/05/80/416190580.db2.gz HYKICHKDDMSTMX-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN(CC)CCO ZINC000358273181 416220223 /nfs/dbraw/zinc/22/02/23/416220223.db2.gz JLQUJWBRQHYESB-CQSZACIVSA-N 1 3 300.447 0.474 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN(CC)CCO ZINC000358273181 416220226 /nfs/dbraw/zinc/22/02/26/416220226.db2.gz JLQUJWBRQHYESB-CQSZACIVSA-N 1 3 300.447 0.474 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000341757439 416230688 /nfs/dbraw/zinc/23/06/88/416230688.db2.gz JGICICIOJUREIS-CQSZACIVSA-N 1 3 303.472 0.181 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000339650970 416161296 /nfs/dbraw/zinc/16/12/96/416161296.db2.gz KGWYHVVWVJUJCE-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341995923 416264153 /nfs/dbraw/zinc/26/41/53/416264153.db2.gz DAEKANNSTRLMPX-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341995923 416264156 /nfs/dbraw/zinc/26/41/56/416264156.db2.gz DAEKANNSTRLMPX-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000358724195 416273320 /nfs/dbraw/zinc/27/33/20/416273320.db2.gz QKMZXJSPWCSKNL-MRXNPFEDSA-N 1 3 312.458 0.615 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246907698 416332370 /nfs/dbraw/zinc/33/23/70/416332370.db2.gz MNGYKUPWUHQPGC-HUUCEWRRSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246907698 416332371 /nfs/dbraw/zinc/33/23/71/416332371.db2.gz MNGYKUPWUHQPGC-HUUCEWRRSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416006166 416358655 /nfs/dbraw/zinc/35/86/55/416358655.db2.gz KXOYTAHSJBRQRW-ZJUUUORDSA-N 1 3 312.336 0.286 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000415793488 416354199 /nfs/dbraw/zinc/35/41/99/416354199.db2.gz UYEWSORBYWRGAA-ZDUSSCGKSA-N 1 3 306.410 0.849 20 0 DCADHO Cc1cc(NC(=O)C(=O)N(C)CC[NH3+])ccc1OCCN(C)C ZINC000415874226 416356928 /nfs/dbraw/zinc/35/69/28/416356928.db2.gz AJYDLDATWTVCAQ-UHFFFAOYSA-N 1 3 322.409 0.291 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237018629 416328391 /nfs/dbraw/zinc/32/83/91/416328391.db2.gz WTVMVKXZVZXHBB-YOEHRIQHSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000419954257 416415911 /nfs/dbraw/zinc/41/59/11/416415911.db2.gz LYUIAGHVJBCVNQ-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417870977 416385125 /nfs/dbraw/zinc/38/51/25/416385125.db2.gz JCMBXGSKXPDFCL-HIFRSBDPSA-N 1 3 309.458 0.064 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418451931 416387143 /nfs/dbraw/zinc/38/71/43/416387143.db2.gz WQOCRVWCDQXHCS-ZIAGYGMSSA-N 1 3 300.447 0.506 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418701191 416388866 /nfs/dbraw/zinc/38/88/66/416388866.db2.gz ACEQZTRGIXGOQJ-WJTFHPDPSA-N 1 3 324.469 0.648 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418706893 416389565 /nfs/dbraw/zinc/38/95/65/416389565.db2.gz SUKKPPBKXRRYNC-GJZGRUSLSA-N 1 3 313.490 0.781 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419117428 416396644 /nfs/dbraw/zinc/39/66/44/416396644.db2.gz HEBGGBZRHDFVCL-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC(CNC(=O)CN(C)C(C)C)CNC(=O)C[N@H+](C)C(C)C ZINC000360633151 416400646 /nfs/dbraw/zinc/40/06/46/416400646.db2.gz DTMRARNERSLYBJ-UHFFFAOYSA-N 1 3 314.474 0.535 20 0 DCADHO CC(CNC(=O)CN(C)C(C)C)CNC(=O)C[N@@H+](C)C(C)C ZINC000360633151 416400647 /nfs/dbraw/zinc/40/06/47/416400647.db2.gz DTMRARNERSLYBJ-UHFFFAOYSA-N 1 3 314.474 0.535 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000419528520 416403348 /nfs/dbraw/zinc/40/33/48/416403348.db2.gz WFGJXWBHZFZBMS-HNNXBMFYSA-N 1 3 318.421 0.403 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](N)c1ccccc1)C1CC1 ZINC000419528520 416403349 /nfs/dbraw/zinc/40/33/49/416403349.db2.gz WFGJXWBHZFZBMS-HNNXBMFYSA-N 1 3 318.421 0.403 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419764812 416409483 /nfs/dbraw/zinc/40/94/83/416409483.db2.gz PSFSHVVNQPJPHY-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000419764789 416409547 /nfs/dbraw/zinc/40/95/47/416409547.db2.gz PRBZXEWKJRFXMV-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000419764789 416409549 /nfs/dbraw/zinc/40/95/49/416409549.db2.gz PRBZXEWKJRFXMV-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419775882 416410018 /nfs/dbraw/zinc/41/00/18/416410018.db2.gz LKVLWMQQJQQDKP-OLZOCXBDSA-N 1 3 310.442 0.077 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419772719 416410259 /nfs/dbraw/zinc/41/02/59/416410259.db2.gz ZBSNTCFECLMGGG-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419784266 416411520 /nfs/dbraw/zinc/41/15/20/416411520.db2.gz WLOLZWLVJVTZMC-RDBSUJKOSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419803099 416413266 /nfs/dbraw/zinc/41/32/66/416413266.db2.gz MPPVNQTXUMIMJW-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423061341 416462395 /nfs/dbraw/zinc/46/23/95/416462395.db2.gz KIPHXWVFGMDJQA-KRWDZBQOSA-N 1 3 324.469 0.245 20 0 DCADHO NC1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000583442238 416464370 /nfs/dbraw/zinc/46/43/70/416464370.db2.gz XESUDCNTNJHKNV-UHFFFAOYSA-N 1 3 302.422 0.587 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nn1 ZINC000423114176 416467626 /nfs/dbraw/zinc/46/76/26/416467626.db2.gz ZYDRFWQYZXKBOI-JHJVBQTASA-N 1 3 307.398 0.575 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434353540 416473162 /nfs/dbraw/zinc/47/31/62/416473162.db2.gz WKXAVOQLNSRKBY-HOCLYGCPSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](NCC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCC[NH2+]1 ZINC000423171226 416473897 /nfs/dbraw/zinc/47/38/97/416473897.db2.gz NPUSVCUAFKPQQP-JKSUJKDBSA-N 1 3 310.486 0.513 20 0 DCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000583574886 416475504 /nfs/dbraw/zinc/47/55/04/416475504.db2.gz MAXUZPJSZGOEFA-RYUDHWBXSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422419866 416430022 /nfs/dbraw/zinc/43/00/22/416430022.db2.gz AHUSFHWFLCBGPF-SNPRPXQTSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422419866 416430023 /nfs/dbraw/zinc/43/00/23/416430023.db2.gz AHUSFHWFLCBGPF-SNPRPXQTSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1CCOC1 ZINC000361483066 416440859 /nfs/dbraw/zinc/44/08/59/416440859.db2.gz BVHHIQNJTOCUMM-SJORKVTESA-N 1 3 313.486 0.781 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NC(C)(C)CC[NH3+])ccn1 ZINC000422605342 416441404 /nfs/dbraw/zinc/44/14/04/416441404.db2.gz PYOHZYYFEBKDOL-UHFFFAOYSA-N 1 3 323.441 0.949 20 0 DCADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000361498568 416442015 /nfs/dbraw/zinc/44/20/15/416442015.db2.gz UUDKQXZNQMDHKA-OAHLLOKOSA-N 1 3 323.485 0.769 20 0 DCADHO [NH3+][C@@H]1CCCCC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000422696191 416447921 /nfs/dbraw/zinc/44/79/21/416447921.db2.gz QYHDVPOBBPJDAF-HZPDHXFCSA-N 1 3 318.469 0.848 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423618702 416529526 /nfs/dbraw/zinc/52/95/26/416529526.db2.gz HPHBZHVKRUYFAY-KGLIPLIRSA-N 1 3 310.442 0.269 20 0 DCADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423766824 416562803 /nfs/dbraw/zinc/56/28/03/416562803.db2.gz CWKNWZXUTSZMOL-GUTXKFCHSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423766824 416562806 /nfs/dbraw/zinc/56/28/06/416562806.db2.gz CWKNWZXUTSZMOL-GUTXKFCHSA-N 1 3 310.442 0.171 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000423717611 416546427 /nfs/dbraw/zinc/54/64/27/416546427.db2.gz BDRRRQKSXXCTQC-RBSFLKMASA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CCO1 ZINC000423748615 416559216 /nfs/dbraw/zinc/55/92/16/416559216.db2.gz ATLJKUSQIQKTMV-SJLPKXTDSA-N 1 3 317.433 0.707 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000534110776 416492702 /nfs/dbraw/zinc/49/27/02/416492702.db2.gz QAEVLUYFIAUCFU-CABCVRRESA-N 1 3 312.458 0.689 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCCC[C@@H]1C ZINC000423334080 416494907 /nfs/dbraw/zinc/49/49/07/416494907.db2.gz QJZAAUXTLFJCQR-STQMWFEESA-N 1 3 308.430 0.620 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423364651 416496033 /nfs/dbraw/zinc/49/60/33/416496033.db2.gz OWPOOGWIQNWGSG-MJBXVCDLSA-N 1 3 322.457 0.723 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423509925 416518837 /nfs/dbraw/zinc/51/88/37/416518837.db2.gz OYCXXMFMHHMRMT-CYBMUJFWSA-N 1 3 312.458 0.371 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000514795824 416677563 /nfs/dbraw/zinc/67/75/63/416677563.db2.gz FDLBBECHQOXDLY-ZDUSSCGKSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000514795824 416677568 /nfs/dbraw/zinc/67/75/68/416677568.db2.gz FDLBBECHQOXDLY-ZDUSSCGKSA-N 1 3 305.426 0.659 20 0 DCADHO O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000424150456 416617629 /nfs/dbraw/zinc/61/76/29/416617629.db2.gz YXZGRKSDSKAGTI-OLZOCXBDSA-N 1 3 303.410 0.797 20 0 DCADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217745 416627022 /nfs/dbraw/zinc/62/70/22/416627022.db2.gz NTXFETXNKAWIEI-YLFCFFPRSA-N 1 3 315.417 0.442 20 0 DCADHO CC[NH+](CC)CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424451033 416646843 /nfs/dbraw/zinc/64/68/43/416646843.db2.gz CMZDZTAYILCRIY-LSDHHAIUSA-N 1 3 322.457 0.588 20 0 DCADHO COCC[C@H](C)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000631828426 416752814 /nfs/dbraw/zinc/75/28/14/416752814.db2.gz OUACKHUGOKCHGX-AEGPPILISA-N 1 3 310.442 0.632 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425392791 416699596 /nfs/dbraw/zinc/69/95/96/416699596.db2.gz CGGUQXBFPRBKGD-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614848722 416712928 /nfs/dbraw/zinc/71/29/28/416712928.db2.gz SNJXVBLWAWEVSD-SJORKVTESA-N 1 3 319.449 0.905 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000516293987 416721471 /nfs/dbraw/zinc/72/14/71/416721471.db2.gz QKBBZSSPPFSQJB-GOSISDBHSA-N 1 3 322.497 0.862 20 0 DCADHO CN(C)C1(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557069023 416723254 /nfs/dbraw/zinc/72/32/54/416723254.db2.gz VZIKSYPAWIBEAE-GOSISDBHSA-N 1 3 317.433 0.834 20 0 DCADHO CN(C)C1(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557069023 416723258 /nfs/dbraw/zinc/72/32/58/416723258.db2.gz VZIKSYPAWIBEAE-GOSISDBHSA-N 1 3 317.433 0.834 20 0 DCADHO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCCN1CCCC1 ZINC000631903702 416787703 /nfs/dbraw/zinc/78/77/03/416787703.db2.gz RPDNYFUKMMEZLC-CQSZACIVSA-N 1 3 303.472 0.876 20 0 DCADHO C[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)[C@@H]1C[NH3+] ZINC000631905455 416788714 /nfs/dbraw/zinc/78/87/14/416788714.db2.gz NCEYYGUHLRPXAT-ZIAGYGMSSA-N 1 3 303.472 0.861 20 0 DCADHO [NH3+]C[C@@H](NS(=O)(=O)CCCN1CCCC1)C1CCCC1 ZINC000631932797 416812394 /nfs/dbraw/zinc/81/23/94/416812394.db2.gz SBJTYYTXBPVHIH-CQSZACIVSA-N 1 3 303.472 0.909 20 0 DCADHO [NH3+]C[C@H](NS(=O)(=O)CCCN1CCCC1)C1CCCC1 ZINC000631932796 416813450 /nfs/dbraw/zinc/81/34/50/416813450.db2.gz SBJTYYTXBPVHIH-AWEZNQCLSA-N 1 3 303.472 0.909 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631940808 416818879 /nfs/dbraw/zinc/81/88/79/416818879.db2.gz HBKHTUXUZPRWOQ-ZIAGYGMSSA-N 1 3 303.472 0.589 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369860943 416838916 /nfs/dbraw/zinc/83/89/16/416838916.db2.gz RAISRSHTQLAEFR-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369860943 416838919 /nfs/dbraw/zinc/83/89/19/416838919.db2.gz RAISRSHTQLAEFR-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631981013 416846122 /nfs/dbraw/zinc/84/61/22/416846122.db2.gz KXNVGZUCSMTMMC-KGLIPLIRSA-N 1 3 301.456 0.534 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000565256133 416959159 /nfs/dbraw/zinc/95/91/59/416959159.db2.gz XEFUJRMOGNVWSP-CYBMUJFWSA-N 1 3 310.442 0.173 20 0 DCADHO Nc1nc(NC[C@@H](c2ccco2)N2CCCCC2)nc(N)[nH+]1 ZINC000623797178 416897471 /nfs/dbraw/zinc/89/74/71/416897471.db2.gz DXLOKJZJNYUWHW-JTQLQIEISA-N 1 3 303.370 0.351 20 0 DCADHO Nc1nc(N)nc(NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000623909437 416919902 /nfs/dbraw/zinc/91/99/02/416919902.db2.gz XMVCWCSWEYWVBM-UHFFFAOYSA-N 1 3 319.438 0.504 20 0 DCADHO C[C@H]1CN(CC2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000446291576 416921347 /nfs/dbraw/zinc/92/13/47/416921347.db2.gz APSWHEJTDWLAAS-OFQRWUPVSA-N 1 3 309.454 0.944 20 0 DCADHO Nc1nc(N)nc(N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000624059503 416950555 /nfs/dbraw/zinc/95/05/55/416950555.db2.gz WTACBWPPQNAIEZ-UHFFFAOYSA-N 1 3 305.430 0.789 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000642084336 417027080 /nfs/dbraw/zinc/02/70/80/417027080.db2.gz CDZIWLUPAOIITB-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CN1CC[C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC000632336032 417028404 /nfs/dbraw/zinc/02/84/04/417028404.db2.gz AAAHRIPIHBETIX-ZFWWWQNUSA-N 1 3 305.426 0.611 20 0 DCADHO CN(C)CCCS(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000632272271 416993542 /nfs/dbraw/zinc/99/35/42/416993542.db2.gz MJKVSFKDOFBKRJ-UHFFFAOYSA-N 1 3 305.488 0.980 20 0 DCADHO COC[C@@]1(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)CCC[NH2+]1 ZINC000641800302 417004875 /nfs/dbraw/zinc/00/48/75/417004875.db2.gz DDZNXQYQYQEGPU-HOCLYGCPSA-N 1 3 312.458 0.879 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000431024791 417098596 /nfs/dbraw/zinc/09/85/96/417098596.db2.gz WOHSFMHFIUZPCL-DOTOQJQBSA-N 1 3 318.465 0.871 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430551995 417041251 /nfs/dbraw/zinc/04/12/51/417041251.db2.gz AKKAKGQQECBEDU-ZJUUUORDSA-N 1 3 324.347 0.824 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000642439473 417052124 /nfs/dbraw/zinc/05/21/24/417052124.db2.gz IKWHPELBJDPECI-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642439397 417053427 /nfs/dbraw/zinc/05/34/27/417053427.db2.gz FECMFVXVOPMAIK-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000642439650 417053743 /nfs/dbraw/zinc/05/37/43/417053743.db2.gz MWWCYKBXCVSTDU-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCCN1CCC(O)CC1 ZINC000430751997 417061410 /nfs/dbraw/zinc/06/14/10/417061410.db2.gz DRZFYCRQFCENMH-GOOCMWNKSA-N 1 3 309.454 0.870 20 0 DCADHO CSCC[C@H](N)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000430763744 417062130 /nfs/dbraw/zinc/06/21/30/417062130.db2.gz FBDCUTWBRMXPGW-ZDUSSCGKSA-N 1 3 302.488 0.209 20 0 DCADHO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CN)cc2)CC1 ZINC000430773331 417066793 /nfs/dbraw/zinc/06/67/93/417066793.db2.gz SJENPBZICBZNHF-UHFFFAOYSA-N 1 3 305.382 0.800 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000642732172 417085380 /nfs/dbraw/zinc/08/53/80/417085380.db2.gz QIWVXKVVVOTMSO-WMLDXEAASA-N 1 3 322.453 0.047 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC000568169566 417086837 /nfs/dbraw/zinc/08/68/37/417086837.db2.gz NTGALDVXYKEBQX-KFWWJZLASA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC000568169566 417086840 /nfs/dbraw/zinc/08/68/40/417086840.db2.gz NTGALDVXYKEBQX-KFWWJZLASA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000642773265 417094828 /nfs/dbraw/zinc/09/48/28/417094828.db2.gz GIPQFLWYIQMHPV-OUCADQQQSA-N 1 3 310.442 0.171 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000642912495 417120919 /nfs/dbraw/zinc/12/09/19/417120919.db2.gz RBHIRNSLXYOVSV-MCIONIFRSA-N 1 3 308.426 0.069 20 0 DCADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000642919060 417123468 /nfs/dbraw/zinc/12/34/68/417123468.db2.gz MYHDHCHYQZQOLE-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000525302457 417137098 /nfs/dbraw/zinc/13/70/98/417137098.db2.gz ZOGOZGBEOUDBDO-ZDUSSCGKSA-N 1 3 310.446 0.616 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000642990336 417142155 /nfs/dbraw/zinc/14/21/55/417142155.db2.gz ACHWXNVLFQJVQC-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CCCCN(C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449333650 417142293 /nfs/dbraw/zinc/14/22/93/417142293.db2.gz BVOBHPHJLUGICX-ZDUSSCGKSA-N 1 3 308.430 0.492 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000643398188 417189045 /nfs/dbraw/zinc/18/90/45/417189045.db2.gz DAFYZBUWHDXXFP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637833471 417203687 /nfs/dbraw/zinc/20/36/87/417203687.db2.gz SQXMQBVDAJTCMQ-GOEBONIOSA-N 1 3 304.438 0.562 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643502950 417227792 /nfs/dbraw/zinc/22/77/92/417227792.db2.gz VXNMEHFKPOPSDF-QGZVFWFLSA-N 1 3 322.453 0.143 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643505651 417229093 /nfs/dbraw/zinc/22/90/93/417229093.db2.gz NLURXNCOXUEPEX-YOEHRIQHSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1=O ZINC000449685211 417165009 /nfs/dbraw/zinc/16/50/09/417165009.db2.gz UEHCJHSYTYYBHO-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCN1CCCC1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000627227738 417289841 /nfs/dbraw/zinc/28/98/41/417289841.db2.gz DOHGNPSUOLCHME-AWEZNQCLSA-N 1 3 321.429 0.050 20 0 DCADHO C[C@@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C[NH+](C)C ZINC000569796778 417292998 /nfs/dbraw/zinc/29/29/98/417292998.db2.gz HCJOLVGGOVCIHR-YJBOKZPZSA-N 1 3 319.449 0.937 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[C@@H]1[NH3+] ZINC000643552890 417242775 /nfs/dbraw/zinc/24/27/75/417242775.db2.gz VGTZMWAVDPMTNG-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000643558717 417244779 /nfs/dbraw/zinc/24/47/79/417244779.db2.gz UBLPXUIKUKTHOX-ILXRZTDVSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433375926 417259935 /nfs/dbraw/zinc/25/99/35/417259935.db2.gz MWCVUMBCVHAMSY-QWHCGFSZSA-N 1 3 306.414 0.369 20 0 DCADHO C[C@H]1C[C@@H](CN2CCN(c3ccc(C(N)=O)cn3)CC2)CC[NH2+]1 ZINC000414679284 417296404 /nfs/dbraw/zinc/29/64/04/417296404.db2.gz RVCPIWLJWPQDQL-KBPBESRZSA-N 1 3 317.437 0.691 20 0 DCADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H]1CN1CCCC1 ZINC000633083648 417350123 /nfs/dbraw/zinc/35/01/23/417350123.db2.gz DBKSNDJXWAHPHV-ZNMIVQPWSA-N 1 3 320.437 0.036 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)C1 ZINC000638140500 417351981 /nfs/dbraw/zinc/35/19/81/417351981.db2.gz JURXBZVGNCTIBK-HUUCEWRRSA-N 1 3 309.458 0.145 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638142532 417354087 /nfs/dbraw/zinc/35/40/87/417354087.db2.gz RRRALXHUHITVDK-SJORKVTESA-N 1 3 316.449 0.799 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000638162181 417358170 /nfs/dbraw/zinc/35/81/70/417358170.db2.gz FASOEDVKCKIMFJ-AEFFLSMTSA-N 1 3 318.465 0.952 20 0 DCADHO CN1CCC(n2cc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cn2)CC1 ZINC000632960281 417301700 /nfs/dbraw/zinc/30/17/00/417301700.db2.gz DXMCSUZRPRQVEL-FZMZJTMJSA-N 1 3 304.398 0.728 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000414869609 417311299 /nfs/dbraw/zinc/31/12/99/417311299.db2.gz BLRISNIQRHEMRB-GFCCVEGCSA-N 1 3 318.421 0.943 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621841450 417319084 /nfs/dbraw/zinc/31/90/84/417319084.db2.gz VNBDDWCMXICZMU-CJNGLKHVSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570160116 417319699 /nfs/dbraw/zinc/31/96/99/417319699.db2.gz XPPWNZHOXVTQKB-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[NH2+][C@@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000638086741 417319972 /nfs/dbraw/zinc/31/99/72/417319972.db2.gz VQYKLYWTOLBADO-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO COC(=O)[C@]1(C)CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000415144273 417336122 /nfs/dbraw/zinc/33/61/22/417336122.db2.gz VBSBMLLGJZOLSB-XJKSGUPXSA-N 1 3 311.426 0.459 20 0 DCADHO COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000415144273 417336125 /nfs/dbraw/zinc/33/61/25/417336125.db2.gz VBSBMLLGJZOLSB-XJKSGUPXSA-N 1 3 311.426 0.459 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](N)c2ccccc2)n1 ZINC000415206863 417340063 /nfs/dbraw/zinc/34/00/63/417340063.db2.gz BZNHQDIXGYOLMA-CQSZACIVSA-N 1 3 316.409 1.266 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)c2ccccc2O1 ZINC000638130861 417344690 /nfs/dbraw/zinc/34/46/90/417344690.db2.gz JKTMMJZIZMNQTQ-CQSZACIVSA-N 1 3 318.421 0.247 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000570832797 417397311 /nfs/dbraw/zinc/39/73/11/417397311.db2.gz YGWHNWJVGVNNSE-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CN1CCN(CCCCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000643937769 417417007 /nfs/dbraw/zinc/41/70/07/417417007.db2.gz QTJRIZHKYDHJMM-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000571056313 417419518 /nfs/dbraw/zinc/41/95/18/417419518.db2.gz DVSMXNONKUBLTP-UHFFFAOYSA-N 1 3 321.429 0.302 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000638175693 417366453 /nfs/dbraw/zinc/36/64/53/417366453.db2.gz JRNBFGBOFQKWIL-MRXNPFEDSA-N 1 3 302.422 0.482 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638177025 417367930 /nfs/dbraw/zinc/36/79/30/417367930.db2.gz HFMZYWSGIFQTCN-FVQBIDKESA-N 1 3 304.438 0.560 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638203390 417371641 /nfs/dbraw/zinc/37/16/41/417371641.db2.gz MHSMXDIBGWYABV-BMFZPTHFSA-N 1 3 304.438 0.560 20 0 DCADHO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000638360576 417434019 /nfs/dbraw/zinc/43/40/19/417434019.db2.gz WKVLFQRSCYVGPB-ZDUSSCGKSA-N 1 3 309.435 0.908 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000633555123 417449411 /nfs/dbraw/zinc/44/94/11/417449411.db2.gz BBDHRYNONHLTPZ-XUXIUFHCSA-N 1 3 312.458 0.145 20 0 DCADHO CN1C[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC000634705310 417530745 /nfs/dbraw/zinc/53/07/45/417530745.db2.gz XRHATJCMPGBYSA-WMZOPIPTSA-N 1 3 317.433 0.834 20 0 DCADHO CN1C[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC000634705310 417530750 /nfs/dbraw/zinc/53/07/50/417530750.db2.gz XRHATJCMPGBYSA-WMZOPIPTSA-N 1 3 317.433 0.834 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000575745763 417546416 /nfs/dbraw/zinc/54/64/16/417546416.db2.gz QQQVOAVMAYMUKS-IMJJTQAJSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000575745763 417546421 /nfs/dbraw/zinc/54/64/21/417546421.db2.gz QQQVOAVMAYMUKS-IMJJTQAJSA-N 1 3 307.438 0.840 20 0 DCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047651 417603643 /nfs/dbraw/zinc/60/36/43/417603643.db2.gz VKZJTXLAHXPLGW-WMZOPIPTSA-N 1 3 317.433 0.691 20 0 DCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047651 417603649 /nfs/dbraw/zinc/60/36/49/417603649.db2.gz VKZJTXLAHXPLGW-WMZOPIPTSA-N 1 3 317.433 0.691 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CN(C)CCN1C ZINC000644559375 417619246 /nfs/dbraw/zinc/61/92/46/417619246.db2.gz JJLZUWXCSWHVHN-ZWKOTPCHSA-N 1 3 320.481 0.315 20 0 DCADHO CN1CCN(C)[C@@H](CNC[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000644559375 417619249 /nfs/dbraw/zinc/61/92/49/417619249.db2.gz JJLZUWXCSWHVHN-ZWKOTPCHSA-N 1 3 320.481 0.315 20 0 DCADHO CN1CCN(C)[C@@H](CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000644559375 417619254 /nfs/dbraw/zinc/61/92/54/417619254.db2.gz JJLZUWXCSWHVHN-ZWKOTPCHSA-N 1 3 320.481 0.315 20 0 DCADHO C[C@@H](O)CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000644556120 417619326 /nfs/dbraw/zinc/61/93/26/417619326.db2.gz VEPFLPVNXCJVDD-CJNGLKHVSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@@H](O)CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000644556120 417619334 /nfs/dbraw/zinc/61/93/34/417619334.db2.gz VEPFLPVNXCJVDD-CJNGLKHVSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@@H](O)C[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000644556120 417619339 /nfs/dbraw/zinc/61/93/39/417619339.db2.gz VEPFLPVNXCJVDD-CJNGLKHVSA-N 1 3 305.422 0.854 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000576569872 417619493 /nfs/dbraw/zinc/61/94/93/417619493.db2.gz CMPYZMHCBLYQRA-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CO[C@@]1(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOC1 ZINC000639172812 417634302 /nfs/dbraw/zinc/63/43/02/417634302.db2.gz OQHSGXXGQFKOTO-DLBZAZTESA-N 1 3 311.470 0.892 20 0 DCADHO CO[C@@]1(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCOC1 ZINC000639172812 417634309 /nfs/dbraw/zinc/63/43/09/417634309.db2.gz OQHSGXXGQFKOTO-DLBZAZTESA-N 1 3 311.470 0.892 20 0 DCADHO Cc1c(C(=O)N(CCN(C)C)C2CC2)nnn1C1CC[NH2+]CC1 ZINC000576701551 417630065 /nfs/dbraw/zinc/63/00/65/417630065.db2.gz GSUOWPIPPLUHLU-UHFFFAOYSA-N 1 3 320.441 0.677 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576951980 417649931 /nfs/dbraw/zinc/64/99/31/417649931.db2.gz VUGCKLUQTOULQY-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000532336350 417674085 /nfs/dbraw/zinc/67/40/85/417674085.db2.gz OZETWHJVHFZQFN-CQSZACIVSA-N 1 3 322.457 0.402 20 0 DCADHO C[C@@H](NC(=O)[C@H](N)CC(F)F)C(=O)NCC[NH+]1CCCCC1 ZINC000580831689 417724061 /nfs/dbraw/zinc/72/40/61/417724061.db2.gz BXFFPAJBEJSWLB-GHMZBOCLSA-N 1 3 320.384 0.076 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN1CCCO)C1CC1 ZINC000458205208 417728982 /nfs/dbraw/zinc/72/89/82/417728982.db2.gz YCHGUTJECFJEFY-HNNXBMFYSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN1CCCO)C1CC1 ZINC000458205208 417728987 /nfs/dbraw/zinc/72/89/87/417728987.db2.gz YCHGUTJECFJEFY-HNNXBMFYSA-N 1 3 312.458 0.617 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)N(C)C1 ZINC000635910766 417790482 /nfs/dbraw/zinc/79/04/82/417790482.db2.gz DMVSUEVPNDLKPF-AJNGGQMLSA-N 1 3 311.426 0.027 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)N(C)C1 ZINC000635910766 417790488 /nfs/dbraw/zinc/79/04/88/417790488.db2.gz DMVSUEVPNDLKPF-AJNGGQMLSA-N 1 3 311.426 0.027 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000635956292 417813321 /nfs/dbraw/zinc/81/33/21/417813321.db2.gz WQOLDPSPWIYRBM-GJZGRUSLSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000635956292 417813327 /nfs/dbraw/zinc/81/33/27/417813327.db2.gz WQOLDPSPWIYRBM-GJZGRUSLSA-N 1 3 313.442 0.134 20 0 DCADHO C[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000646460466 417853867 /nfs/dbraw/zinc/85/38/67/417853867.db2.gz HXSYJWNGUQCMLW-BZUAXINKSA-N 1 3 322.497 0.954 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662714765 417867823 /nfs/dbraw/zinc/86/78/23/417867823.db2.gz AUTQGRWYNKGEQS-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(c1cccc2c1CCNC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662777100 417900167 /nfs/dbraw/zinc/90/01/67/417900167.db2.gz CWESOGYSQRQLHU-HNNXBMFYSA-N 1 3 314.433 0.452 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C1 ZINC000646003198 417845029 /nfs/dbraw/zinc/84/50/29/417845029.db2.gz WHHVHXFTFMQVFW-OAHLLOKOSA-N 1 3 308.470 0.744 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662674646 417845363 /nfs/dbraw/zinc/84/53/63/417845363.db2.gz DVEAOZZBXJUKFW-HZPDHXFCSA-N 1 3 321.421 0.607 20 0 DCADHO N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H]1c1ccccc1F ZINC000662814681 417915308 /nfs/dbraw/zinc/91/53/08/417915308.db2.gz FXRHZWKYTDLCGA-OSRDXIQISA-N 1 3 307.369 0.443 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CNCCC1(F)F ZINC000662857314 417927614 /nfs/dbraw/zinc/92/76/14/417927614.db2.gz LCTAIXIMAYZFGA-GFCCVEGCSA-N 1 3 306.401 0.231 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860959 417931294 /nfs/dbraw/zinc/93/12/94/417931294.db2.gz WFLIXHHIDBWSMN-JKSUJKDBSA-N 1 3 321.421 0.233 20 0 DCADHO C[C@H](CS(C)(=O)=O)[NH2+]CC1CCN(C2CCOCC2)CC1 ZINC000658068078 417935556 /nfs/dbraw/zinc/93/55/56/417935556.db2.gz TYFQXYWPTUZZIN-CYBMUJFWSA-N 1 3 318.483 0.900 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662878625 417938012 /nfs/dbraw/zinc/93/80/12/417938012.db2.gz XBUQBKSWINLOGT-ILXRZTDVSA-N 1 3 305.378 0.650 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652687188 417944075 /nfs/dbraw/zinc/94/40/75/417944075.db2.gz YIWZKBNAFMZWOX-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000652696577 417947183 /nfs/dbraw/zinc/94/71/83/417947183.db2.gz NBUVTWCNISUCFF-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000640941628 417948528 /nfs/dbraw/zinc/94/85/28/417948528.db2.gz XEHGVZFPZUFHLZ-HIFRSBDPSA-N 1 3 303.410 0.911 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000652710108 417953133 /nfs/dbraw/zinc/95/31/33/417953133.db2.gz JAYOWOIZANUFBT-AWEZNQCLSA-N 1 3 322.453 0.318 20 0 DCADHO CN(CCC[NH3+])C(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000662930425 417955529 /nfs/dbraw/zinc/95/55/29/417955529.db2.gz QEVMUOMNPFFDKM-AWEZNQCLSA-N 1 3 310.442 0.271 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732862 417960254 /nfs/dbraw/zinc/96/02/54/417960254.db2.gz UWAUTXYDIPUIJJ-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000662972460 417968109 /nfs/dbraw/zinc/96/81/09/417968109.db2.gz JLELTSKMLPWXKN-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO Nc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647509528 418016861 /nfs/dbraw/zinc/01/68/61/418016861.db2.gz LLRIWPYIISCBKV-ZFWWWQNUSA-N 1 3 317.437 0.574 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC000663493949 418026575 /nfs/dbraw/zinc/02/65/75/418026575.db2.gz FEFGKQANWZGYQH-LLVKDONJSA-N 1 3 323.466 0.076 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653111752 418027340 /nfs/dbraw/zinc/02/73/40/418027340.db2.gz ZJNSWGBTNCGOJC-ZDUSSCGKSA-N 1 3 308.426 0.974 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000663493511 418027812 /nfs/dbraw/zinc/02/78/12/418027812.db2.gz IOKOLDRPZDWFAA-GFCCVEGCSA-N 1 3 307.467 0.268 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000647594221 418030144 /nfs/dbraw/zinc/03/01/44/418030144.db2.gz RBJFEVPXJBQUOL-MGPQQGTHSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000663628789 418040462 /nfs/dbraw/zinc/04/04/62/418040462.db2.gz MIMGGPRXRNATRA-XGUBFFRZSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+]1CCCC[C@@H]1C ZINC000663628789 418040464 /nfs/dbraw/zinc/04/04/64/418040464.db2.gz MIMGGPRXRNATRA-XGUBFFRZSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccnn1C ZINC000663680868 418045597 /nfs/dbraw/zinc/04/55/97/418045597.db2.gz AOXNOFPJMNOUBZ-ZDUSSCGKSA-N 1 3 310.446 0.491 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccnn1C ZINC000663680868 418045601 /nfs/dbraw/zinc/04/56/01/418045601.db2.gz AOXNOFPJMNOUBZ-ZDUSSCGKSA-N 1 3 310.446 0.491 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])CC1 ZINC000653240628 418046144 /nfs/dbraw/zinc/04/61/44/418046144.db2.gz QEPPPEDCTSMBDD-CVEARBPZSA-N 1 3 310.486 0.990 20 0 DCADHO C[C@@H](NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000659552480 418117913 /nfs/dbraw/zinc/11/79/13/418117913.db2.gz YWNSLAOWZXKBJH-WOSRLPQWSA-N 1 3 320.437 0.788 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659105664 418060965 /nfs/dbraw/zinc/06/09/65/418060965.db2.gz UTLYLTOCUNXBNC-UHFFFAOYSA-N 1 3 316.405 0.555 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659555743 418117995 /nfs/dbraw/zinc/11/79/95/418117995.db2.gz SSRVFKYSPHRPMJ-ARFHVFGLSA-N 1 3 318.421 0.420 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659555459 418118025 /nfs/dbraw/zinc/11/80/25/418118025.db2.gz QLMHIQFVLCGYQZ-LSDHHAIUSA-N 1 3 310.442 0.396 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NC[C@H](O)COCC2CC2)CC1 ZINC000647909214 418073505 /nfs/dbraw/zinc/07/35/05/418073505.db2.gz WLKAFHOUIVYXDN-HNNXBMFYSA-N 1 3 300.443 0.599 20 0 DCADHO CCC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC)CCN1CCOC ZINC000653595110 418092065 /nfs/dbraw/zinc/09/20/65/418092065.db2.gz VTWWPVVDVBTFRU-CVEARBPZSA-N 1 3 301.475 0.732 20 0 DCADHO CCC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CC)CCN1CCOC ZINC000653595110 418092070 /nfs/dbraw/zinc/09/20/70/418092070.db2.gz VTWWPVVDVBTFRU-CVEARBPZSA-N 1 3 301.475 0.732 20 0 DCADHO CN(C)CCN1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659430549 418096630 /nfs/dbraw/zinc/09/66/30/418096630.db2.gz BINWABKCJXTNSY-UHFFFAOYSA-N 1 3 309.458 0.064 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000659438220 418097716 /nfs/dbraw/zinc/09/77/16/418097716.db2.gz XXWVCUNITIVYKR-NWDGAFQWSA-N 1 3 320.397 0.067 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000659438220 418097719 /nfs/dbraw/zinc/09/77/19/418097719.db2.gz XXWVCUNITIVYKR-NWDGAFQWSA-N 1 3 320.397 0.067 20 0 DCADHO C[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)CN1CCN(C)CC1 ZINC000659461368 418100875 /nfs/dbraw/zinc/10/08/75/418100875.db2.gz ZQKWRVSLAQUQPZ-VQCLRJIVSA-N 1 3 309.458 0.003 20 0 DCADHO CN(C)CCC[N@H+](C)CCNc1cc(-n2cccn2)nc(N)n1 ZINC000664248289 418103174 /nfs/dbraw/zinc/10/31/74/418103174.db2.gz SCRRCJVRAMCYRY-UHFFFAOYSA-N 1 3 318.429 0.540 20 0 DCADHO CN(C)CCC[N@@H+](C)CCNc1cc(-n2cccn2)nc(N)n1 ZINC000664248289 418103177 /nfs/dbraw/zinc/10/31/77/418103177.db2.gz SCRRCJVRAMCYRY-UHFFFAOYSA-N 1 3 318.429 0.540 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000659608897 418125404 /nfs/dbraw/zinc/12/54/04/418125404.db2.gz GRXXHIUMMGNVAU-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659628855 418131307 /nfs/dbraw/zinc/13/13/07/418131307.db2.gz KAGVKAQXRZMATA-KOLCDFICSA-N 1 3 308.386 0.052 20 0 DCADHO CC(C)(CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000654350334 418134702 /nfs/dbraw/zinc/13/47/02/418134702.db2.gz FXSLWUALWLUIIK-LSDHHAIUSA-N 1 3 324.469 0.711 20 0 DCADHO COCC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000654690190 418178190 /nfs/dbraw/zinc/17/81/90/418178190.db2.gz UNVOGEZRNFUOOV-UHFFFAOYSA-N 1 3 300.447 0.548 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654415206 418141553 /nfs/dbraw/zinc/14/15/53/418141553.db2.gz KNVNELXAYLJQGN-JKSUJKDBSA-N 1 3 324.469 0.711 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC2CC1(CN)C2)C(C)(C)C ZINC000659686786 418146353 /nfs/dbraw/zinc/14/63/53/418146353.db2.gz JONSKLMKALLPHF-JZLYGMAVSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000659702381 418152781 /nfs/dbraw/zinc/15/27/81/418152781.db2.gz PAWDOPXQNQLBSE-GFCCVEGCSA-N 1 3 306.410 0.089 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659707971 418155306 /nfs/dbraw/zinc/15/53/06/418155306.db2.gz LKXNOXKSZHYWSF-JZLYGMAVSA-N 1 3 322.453 0.173 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659708632 418156150 /nfs/dbraw/zinc/15/61/50/418156150.db2.gz YXIFWJIDEDVOFR-CYBMUJFWSA-N 1 3 324.469 0.611 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000654529604 418157951 /nfs/dbraw/zinc/15/79/51/418157951.db2.gz OIBAMFPLCDNTIO-UONOGXRCSA-N 1 3 305.426 0.801 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659713321 418157953 /nfs/dbraw/zinc/15/79/53/418157953.db2.gz PAODPKXVZCBWJB-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO CN(C)CCn1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000654529604 418157955 /nfs/dbraw/zinc/15/79/55/418157955.db2.gz OIBAMFPLCDNTIO-UONOGXRCSA-N 1 3 305.426 0.801 20 0 DCADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664920868 418161138 /nfs/dbraw/zinc/16/11/38/418161138.db2.gz REHFGHFOGMJFSZ-RDBSUJKOSA-N 1 3 300.447 0.423 20 0 DCADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664920868 418161141 /nfs/dbraw/zinc/16/11/41/418161141.db2.gz REHFGHFOGMJFSZ-RDBSUJKOSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC[NH2+]1 ZINC000659723494 418163807 /nfs/dbraw/zinc/16/38/07/418163807.db2.gz RHPDZAIZMMLWKT-JHJVBQTASA-N 1 3 310.442 0.232 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000659738692 418170720 /nfs/dbraw/zinc/17/07/20/418170720.db2.gz IMZFAGOHZRJDRP-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCC[C@H](C)C1 ZINC000659741303 418172140 /nfs/dbraw/zinc/17/21/40/418172140.db2.gz JEUUMBCPYOCVHN-YRFCHQJDSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000659740020 418172379 /nfs/dbraw/zinc/17/23/79/418172379.db2.gz CMYYEUIDTSIUCV-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659741869 418173765 /nfs/dbraw/zinc/17/37/65/418173765.db2.gz PXKKMOPNTKHMCY-QLFBSQMISA-N 1 3 324.469 0.561 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H](C)N(C)C)CC1=O ZINC000665549849 418218486 /nfs/dbraw/zinc/21/84/86/418218486.db2.gz MIXLRYNBMDOQCG-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC[C@H](C)N(C)C)CC1=O ZINC000665549849 418218489 /nfs/dbraw/zinc/21/84/89/418218489.db2.gz MIXLRYNBMDOQCG-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)CN1CCN(C)CC1 ZINC000655708107 418289027 /nfs/dbraw/zinc/28/90/27/418289027.db2.gz DJZLILRSJCYGMM-FUHWJXTLSA-N 1 3 324.513 0.713 20 0 DCADHO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660844168 418293579 /nfs/dbraw/zinc/29/35/79/418293579.db2.gz GJERHOWXQSFUCH-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660844168 418293580 /nfs/dbraw/zinc/29/35/80/418293580.db2.gz GJERHOWXQSFUCH-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656022410 418318233 /nfs/dbraw/zinc/31/82/33/418318233.db2.gz ZCBGWFVCYQKGHR-BARDWOONSA-N 1 3 322.453 0.506 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656022412 418318407 /nfs/dbraw/zinc/31/84/07/418318407.db2.gz ZCBGWFVCYQKGHR-LXTVHRRPSA-N 1 3 322.453 0.506 20 0 DCADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000656023210 418319708 /nfs/dbraw/zinc/31/97/08/418319708.db2.gz YJYVJBSYSTZWIB-ILXRZTDVSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028736 418321384 /nfs/dbraw/zinc/32/13/84/418321384.db2.gz PVLYJJSJGLQDLW-XGUBFFRZSA-N 1 3 322.453 0.315 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656029388 418322136 /nfs/dbraw/zinc/32/21/36/418322136.db2.gz ZFUXMIMCJVGXEH-SOUVJXGZSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474874 418261870 /nfs/dbraw/zinc/26/18/70/418261870.db2.gz OEPBJQUNDMEZSP-IAGOWNOFSA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474874 418261872 /nfs/dbraw/zinc/26/18/72/418261872.db2.gz OEPBJQUNDMEZSP-IAGOWNOFSA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474874 418261875 /nfs/dbraw/zinc/26/18/75/418261875.db2.gz OEPBJQUNDMEZSP-IAGOWNOFSA-N 1 3 313.486 0.874 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660474874 418261876 /nfs/dbraw/zinc/26/18/76/418261876.db2.gz OEPBJQUNDMEZSP-IAGOWNOFSA-N 1 3 313.486 0.874 20 0 DCADHO CN(C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000660476178 418262262 /nfs/dbraw/zinc/26/22/62/418262262.db2.gz XQJNCIOEKORPED-IAGOWNOFSA-N 1 3 311.470 0.628 20 0 DCADHO CN(C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000660476178 418262265 /nfs/dbraw/zinc/26/22/65/418262265.db2.gz XQJNCIOEKORPED-IAGOWNOFSA-N 1 3 311.470 0.628 20 0 DCADHO C[N@H+](C[C@@H](O)CN1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000660476178 418262266 /nfs/dbraw/zinc/26/22/66/418262266.db2.gz XQJNCIOEKORPED-IAGOWNOFSA-N 1 3 311.470 0.628 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000660476178 418262268 /nfs/dbraw/zinc/26/22/68/418262268.db2.gz XQJNCIOEKORPED-IAGOWNOFSA-N 1 3 311.470 0.628 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449982 418263159 /nfs/dbraw/zinc/26/31/59/418263159.db2.gz YHBMGCWUYNMLTH-DOTOQJQBSA-N 1 3 308.470 0.520 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)CN1CCN(C)CC1 ZINC000655449827 418263276 /nfs/dbraw/zinc/26/32/76/418263276.db2.gz QJNLOQBKXUSANM-HLLBOEOZSA-N 1 3 308.470 0.376 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)C1 ZINC000655449313 418263305 /nfs/dbraw/zinc/26/33/05/418263305.db2.gz ANUYOWJSNPTFNL-LZLYRXPVSA-N 1 3 320.481 0.615 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000655577642 418277610 /nfs/dbraw/zinc/27/76/10/418277610.db2.gz YDXGEWPQLBNQRW-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000655577642 418277613 /nfs/dbraw/zinc/27/76/13/418277613.db2.gz YDXGEWPQLBNQRW-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO CNC(=O)c1ccc(CN(C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249676 418393135 /nfs/dbraw/zinc/39/31/35/418393135.db2.gz XGODOBSXIFXHHJ-HNNXBMFYSA-N 1 3 303.406 0.999 20 0 DCADHO CC(C)(C)n1nnc(CCN2CCC(OCCC[NH3+])CC2)n1 ZINC000662247857 418393195 /nfs/dbraw/zinc/39/31/95/418393195.db2.gz MZMWAFQVCDKVEH-UHFFFAOYSA-N 1 3 310.446 0.800 20 0 DCADHO CNS(=O)(=O)C[C@@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662259382 418394999 /nfs/dbraw/zinc/39/49/99/418394999.db2.gz WQHHLQMDWIRBCG-HNNXBMFYSA-N 1 3 323.462 0.846 20 0 DCADHO CN(C)[C@]1(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCSC1 ZINC000662489008 418412422 /nfs/dbraw/zinc/41/24/22/418412422.db2.gz CVNGTUPAKXWNRZ-NHYWBVRUSA-N 1 3 323.466 0.654 20 0 DCADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000662311635 418400425 /nfs/dbraw/zinc/40/04/25/418400425.db2.gz CAIAQFHDEBTPIQ-RQJABVFESA-N 1 3 302.440 0.120 20 0 DCADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000662311628 418400701 /nfs/dbraw/zinc/40/07/01/418400701.db2.gz CAIAQFHDEBTPIQ-FQUUOJAGSA-N 1 3 302.440 0.120 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237156410 261158727 /nfs/dbraw/zinc/15/87/27/261158727.db2.gz PBZPUSHWBRCWIO-CQSZACIVSA-N 1 3 318.421 0.755 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354671410 261254945 /nfs/dbraw/zinc/25/49/45/261254945.db2.gz JQPPQHUREPPCNK-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCC(NC(=O)CN2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000362393632 262028540 /nfs/dbraw/zinc/02/85/40/262028540.db2.gz SWGYRPKQOIJDNM-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCC(NC(=O)CN2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000362393632 262028542 /nfs/dbraw/zinc/02/85/42/262028542.db2.gz SWGYRPKQOIJDNM-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000362987891 262092658 /nfs/dbraw/zinc/09/26/58/262092658.db2.gz WAKWCQBMVCRLIN-ZFWWWQNUSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000362987891 262092661 /nfs/dbraw/zinc/09/26/61/262092661.db2.gz WAKWCQBMVCRLIN-ZFWWWQNUSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@@H]1C[C@H](C)N(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000397400918 262164324 /nfs/dbraw/zinc/16/43/24/262164324.db2.gz NBGBNQHLKJYHIF-CBBWQLFWSA-N 1 3 317.499 0.963 20 0 DCADHO CC(CCN1CCC[C@@H]1C(N)=O)CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000411161004 262166517 /nfs/dbraw/zinc/16/65/17/262166517.db2.gz XYLYRHVOMXDERB-ZIAGYGMSSA-N 1 3 310.442 0.302 20 0 DCADHO CC(CCN1CCC[C@@H]1C(N)=O)CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000411161004 262166518 /nfs/dbraw/zinc/16/65/18/262166518.db2.gz XYLYRHVOMXDERB-ZIAGYGMSSA-N 1 3 310.442 0.302 20 0 DCADHO CN(C)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000416854738 262241707 /nfs/dbraw/zinc/24/17/07/262241707.db2.gz VHGYNRFCFISGLQ-HOTGVXAUSA-N 1 3 320.437 0.528 20 0 DCADHO [NH3+]CCN(CCO)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417016525 262243391 /nfs/dbraw/zinc/24/33/91/262243391.db2.gz GJXVZFXDFNKUDR-MRXNPFEDSA-N 1 3 320.437 0.786 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000417093873 262245682 /nfs/dbraw/zinc/24/56/82/262245682.db2.gz PFCMEHDTQFFQFL-KBPBESRZSA-N 1 3 300.447 0.642 20 0 DCADHO COCCNCCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000417908993 262265045 /nfs/dbraw/zinc/26/50/45/262265045.db2.gz HOXUNLJVPFGXAS-HNNXBMFYSA-N 1 3 314.474 0.890 20 0 DCADHO COCCNCCNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000417908993 262265047 /nfs/dbraw/zinc/26/50/47/262265047.db2.gz HOXUNLJVPFGXAS-HNNXBMFYSA-N 1 3 314.474 0.890 20 0 DCADHO C[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@H]1[NH3+] ZINC000417947285 262266086 /nfs/dbraw/zinc/26/60/86/262266086.db2.gz HLFGSZBHBGKIAV-TZMCWYRMSA-N 1 3 321.425 0.511 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418413642 262276835 /nfs/dbraw/zinc/27/68/35/262276835.db2.gz QXKVGAVJECMWEF-ZNMIVQPWSA-N 1 3 312.458 0.650 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN1CCCO ZINC000418437207 262277893 /nfs/dbraw/zinc/27/78/93/262277893.db2.gz CSEXLRMQVDQSCE-UONOGXRCSA-N 1 3 300.447 0.650 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418602640 262283906 /nfs/dbraw/zinc/28/39/06/262283906.db2.gz NHZBTRLUHBDRRJ-KGLIPLIRSA-N 1 3 300.447 0.376 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)NC[C@@H]1C[NH2+]CCCO1 ZINC000418642287 262284410 /nfs/dbraw/zinc/28/44/10/262284410.db2.gz TUBCYOSLDJZZSL-HOCLYGCPSA-N 1 3 318.421 0.551 20 0 DCADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000418762526 262288034 /nfs/dbraw/zinc/28/80/34/262288034.db2.gz IWQJHLBCUXTKMK-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418770820 262288198 /nfs/dbraw/zinc/28/81/98/262288198.db2.gz VCEGYYHRQNPRQG-OAHLLOKOSA-N 1 3 311.474 0.407 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418793717 262290140 /nfs/dbraw/zinc/29/01/40/262290140.db2.gz OYDBRMTZNGVITC-QLFBSQMISA-N 1 3 312.458 0.594 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000418922018 262298577 /nfs/dbraw/zinc/29/85/77/262298577.db2.gz DDPGHUOOGOROAN-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419017678 262305493 /nfs/dbraw/zinc/30/54/93/262305493.db2.gz BFXHTSIQVTZEPS-RQJABVFESA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419076315 262306672 /nfs/dbraw/zinc/30/66/72/262306672.db2.gz HDTXKDODTNRYRO-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)CCN)CC(C)C ZINC000419121365 262310595 /nfs/dbraw/zinc/31/05/95/262310595.db2.gz DISFUHPWRIJSGZ-CYBMUJFWSA-N 1 3 300.447 0.276 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419123475 262310765 /nfs/dbraw/zinc/31/07/65/262310765.db2.gz PPVNRGJPYQATKC-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419125445 262310934 /nfs/dbraw/zinc/31/09/34/262310934.db2.gz TYSSDECHGNIGSB-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419158864 262314501 /nfs/dbraw/zinc/31/45/01/262314501.db2.gz NKIFPGJLLBSKMD-ILXRZTDVSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419161247 262315144 /nfs/dbraw/zinc/31/51/44/262315144.db2.gz RKSDPGBFJBFTND-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419172039 262316386 /nfs/dbraw/zinc/31/63/86/262316386.db2.gz QIQZFSVJEWKPRO-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232015 262321096 /nfs/dbraw/zinc/32/10/96/262321096.db2.gz TYLVLGDKCFEIED-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232779 262321737 /nfs/dbraw/zinc/32/17/37/262321737.db2.gz VCGAVIITOBFSSM-UKRRQHHQSA-N 1 3 324.469 0.481 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000419406769 262330384 /nfs/dbraw/zinc/33/03/84/262330384.db2.gz JDTSZIOIZICSLQ-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419409289 262331143 /nfs/dbraw/zinc/33/11/43/262331143.db2.gz MXXGXWHGRHUCNS-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419410154 262331216 /nfs/dbraw/zinc/33/12/16/262331216.db2.gz AMLNQRMMJLBGLH-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCN1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419417948 262331883 /nfs/dbraw/zinc/33/18/83/262331883.db2.gz XVUHTWWFZTZBHB-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419419300 262332776 /nfs/dbraw/zinc/33/27/76/262332776.db2.gz JBPBPBNKTAFJKP-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000419485128 262334326 /nfs/dbraw/zinc/33/43/26/262334326.db2.gz VBCOCNYNMCYYPW-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000419485128 262334327 /nfs/dbraw/zinc/33/43/27/262334327.db2.gz VBCOCNYNMCYYPW-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419591585 262338823 /nfs/dbraw/zinc/33/88/23/262338823.db2.gz RKHNRESCZZNCRV-JXQTWKCFSA-N 1 3 310.442 0.363 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419587166 262339261 /nfs/dbraw/zinc/33/92/61/262339261.db2.gz NLLLXURSAUYBDD-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419595102 262339591 /nfs/dbraw/zinc/33/95/91/262339591.db2.gz VVPSQPGYXZYZSC-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419596360 262339689 /nfs/dbraw/zinc/33/96/89/262339689.db2.gz XZFOLVQMJPXQBB-KFWWJZLASA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419699108 262347638 /nfs/dbraw/zinc/34/76/38/262347638.db2.gz VKIKCEOOCLNVGG-MCIONIFRSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419996589 262356662 /nfs/dbraw/zinc/35/66/62/262356662.db2.gz JBRWNBZVXFOCMM-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000420277713 262369495 /nfs/dbraw/zinc/36/94/95/262369495.db2.gz UKFPQGPLUFUQRR-HOTGVXAUSA-N 1 3 304.438 0.829 20 0 DCADHO C[C@H](NCCOCC[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420369912 262371896 /nfs/dbraw/zinc/37/18/96/262371896.db2.gz JENCRHPCZGRNTL-LBPRGKRZSA-N 1 3 315.439 0.563 20 0 DCADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CNCCO1 ZINC000423994737 262476554 /nfs/dbraw/zinc/47/65/54/262476554.db2.gz SYJTWVUTOCQSBK-CYBMUJFWSA-N 1 3 307.394 0.345 20 0 DCADHO COCCCS(=O)(=O)NCCN1CCC2(C1)CC[NH2+]CC2 ZINC000358497219 271052186 /nfs/dbraw/zinc/05/21/86/271052186.db2.gz ASVQFHPRVRVQAJ-UHFFFAOYSA-N 1 3 319.471 0.018 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCCCC1 ZINC000418300988 271242301 /nfs/dbraw/zinc/24/23/01/271242301.db2.gz XABRAKYLKLJPDY-AWEZNQCLSA-N 1 3 312.458 0.794 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418401483 271244878 /nfs/dbraw/zinc/24/48/78/271244878.db2.gz GQWWIYIUNOLPRY-RBSFLKMASA-N 1 3 312.458 0.506 20 0 DCADHO COCC[NH2+]CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000418507613 271246977 /nfs/dbraw/zinc/24/69/77/271246977.db2.gz LDBMEWMUMQITDZ-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N1CCCCC1 ZINC000418825060 271257600 /nfs/dbraw/zinc/25/76/00/271257600.db2.gz BHXHTESVISMLCQ-QGZVFWFLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCCNCC2)CC1 ZINC000418872043 271259034 /nfs/dbraw/zinc/25/90/34/271259034.db2.gz RLKSHQAKNJGSGE-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000418873982 271259969 /nfs/dbraw/zinc/25/99/69/271259969.db2.gz UOBDDOUXGABZCX-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN(C(=O)C(=O)NCCN1CCC[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000419403900 271288146 /nfs/dbraw/zinc/28/81/46/271288146.db2.gz FPMKAEFSBBCZTK-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419401374 271288533 /nfs/dbraw/zinc/28/85/33/271288533.db2.gz AYYXAKHUTXNDBM-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000419402285 271288756 /nfs/dbraw/zinc/28/87/56/271288756.db2.gz CCAFOSGKUIZMAG-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419401378 271288802 /nfs/dbraw/zinc/28/88/02/271288802.db2.gz AYYXAKHUTXNDBM-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419520226 271296208 /nfs/dbraw/zinc/29/62/08/271296208.db2.gz HESLOIUOFNQRKW-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419530432 271297434 /nfs/dbraw/zinc/29/74/34/271297434.db2.gz ZHUPUNJROKZIQK-XJKSGUPXSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@H](C)N(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000419581591 271310751 /nfs/dbraw/zinc/31/07/51/271310751.db2.gz IQXWPTNRYKRNKO-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419582781 271310948 /nfs/dbraw/zinc/31/09/48/271310948.db2.gz JPIHLKAVCBVXPS-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419636271 271313796 /nfs/dbraw/zinc/31/37/96/271313796.db2.gz HFVIAPDLNQCZAK-UHFFFAOYSA-N 1 3 320.437 0.432 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419903368 271341655 /nfs/dbraw/zinc/34/16/55/271341655.db2.gz AMWSSGCBQGOJLT-HNNXBMFYSA-N 1 3 320.437 0.603 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000419933324 271345711 /nfs/dbraw/zinc/34/57/11/271345711.db2.gz QKLFSKFXXWILIF-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000420017216 271352813 /nfs/dbraw/zinc/35/28/13/271352813.db2.gz VBWAAEZBCQXIHR-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000420130492 271359334 /nfs/dbraw/zinc/35/93/34/271359334.db2.gz WEDBYDJLUPXTMR-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000420130492 271359337 /nfs/dbraw/zinc/35/93/37/271359337.db2.gz WEDBYDJLUPXTMR-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471656329 272028550 /nfs/dbraw/zinc/02/85/50/272028550.db2.gz BMCYZIUKKPUSGP-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000519649691 287677035 /nfs/dbraw/zinc/67/70/35/287677035.db2.gz YWMRPENLJIWCKC-SQYUCLKFSA-N 1 3 317.380 0.632 20 0 DCADHO Cc1nnc2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cn12 ZINC000531119420 287767676 /nfs/dbraw/zinc/76/76/76/287767676.db2.gz TXQWZEKRPQBNOQ-UHFFFAOYSA-N 1 3 318.425 0.603 20 0 DCADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)NC(=O)NCC(F)(F)F ZINC000430546020 276008541 /nfs/dbraw/zinc/00/85/41/276008541.db2.gz CGRLJWMGFCRDAZ-LLVKDONJSA-N 1 3 312.336 0.728 20 0 DCADHO CC[C@@H]1C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC(=O)N1 ZINC000541788407 287926287 /nfs/dbraw/zinc/92/62/87/287926287.db2.gz XHIFQRXFLODOQJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)[C@]1(C)CC[N@@H+](CCCN2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430273499 277254528 /nfs/dbraw/zinc/25/45/28/277254528.db2.gz AICYCRJEBVEAAE-CALCHBBNSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)[C@]1(C)CC[N@H+](CCCN2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430273499 277254529 /nfs/dbraw/zinc/25/45/29/277254529.db2.gz AICYCRJEBVEAAE-CALCHBBNSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)[C@]1(C)CCN(CCC[N@@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430273499 277254531 /nfs/dbraw/zinc/25/45/31/277254531.db2.gz AICYCRJEBVEAAE-CALCHBBNSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)[C@]1(C)CCN(CCC[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430273499 277254533 /nfs/dbraw/zinc/25/45/33/277254533.db2.gz AICYCRJEBVEAAE-CALCHBBNSA-N 1 3 324.469 0.293 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000237212876 277273406 /nfs/dbraw/zinc/27/34/06/277273406.db2.gz OIDWBHAKOXJFEN-CYBMUJFWSA-N 1 3 320.437 0.450 20 0 DCADHO CC[N@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000120733073 279030468 /nfs/dbraw/zinc/03/04/68/279030468.db2.gz VXOAHKVXEHIBOS-OAHLLOKOSA-N 1 3 313.490 0.509 20 0 DCADHO CC[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000120733073 279030470 /nfs/dbraw/zinc/03/04/70/279030470.db2.gz VXOAHKVXEHIBOS-OAHLLOKOSA-N 1 3 313.490 0.509 20 0 DCADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1CNCCO1 ZINC000418766499 279093258 /nfs/dbraw/zinc/09/32/58/279093258.db2.gz MVNCQPRVKPBQHQ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([NH3+])CC2)CC1=O ZINC000236831951 279304051 /nfs/dbraw/zinc/30/40/51/279304051.db2.gz AFJZESHMALMRGE-DZGCQCFKSA-N 1 3 322.453 0.269 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000548704181 288168863 /nfs/dbraw/zinc/16/88/63/288168863.db2.gz GAMGUYVFKDUPEU-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000548704181 288168869 /nfs/dbraw/zinc/16/88/69/288168869.db2.gz GAMGUYVFKDUPEU-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCCC[N@H+](C)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(C)C1=O ZINC000551751506 288234482 /nfs/dbraw/zinc/23/44/82/288234482.db2.gz MBBGQNSMSPQIBM-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CN(CCCC[N@@H+](C)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(C)C1=O ZINC000551751506 288234484 /nfs/dbraw/zinc/23/44/84/288234484.db2.gz MBBGQNSMSPQIBM-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000554583168 288331127 /nfs/dbraw/zinc/33/11/27/288331127.db2.gz BJCGTFDOIBHASI-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC(C)(C(=O)Nc1ccc2c(c1)CNCCO2)N1CC[NH2+]CC1 ZINC000557190477 288413234 /nfs/dbraw/zinc/41/32/34/288413234.db2.gz UWQFYEWERMWBRN-UHFFFAOYSA-N 1 3 318.421 0.791 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000562801193 288598338 /nfs/dbraw/zinc/59/83/38/288598338.db2.gz HEGFVGPCYWHKJX-CYBMUJFWSA-N 1 3 312.458 0.927 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000563457943 288678938 /nfs/dbraw/zinc/67/89/38/288678938.db2.gz QRXNTZRLEZQZFO-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000343305372 289304641 /nfs/dbraw/zinc/30/46/41/289304641.db2.gz XGHMHHRNMUATFA-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331370 289333044 /nfs/dbraw/zinc/33/30/44/289333044.db2.gz BUPFZMGGRZOVDC-AGIUHOORSA-N 1 3 308.426 0.685 20 0 DCADHO C[C@H](O)CN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@@H]1C ZINC000279012978 290109612 /nfs/dbraw/zinc/10/96/12/290109612.db2.gz NTLDIBFINBEPPK-AVGNSLFASA-N 1 3 321.425 0.014 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332303332 295311949 /nfs/dbraw/zinc/31/19/49/295311949.db2.gz IDHXHXRZONWGBM-ILXRZTDVSA-N 1 3 322.453 0.459 20 0 DCADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C3CCOCC3)C[C@@H]12 ZINC000248648260 295320887 /nfs/dbraw/zinc/32/08/87/295320887.db2.gz UAEKGNGLODRLNX-DTZQCDIJSA-N 1 3 307.438 0.826 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001650441233 1173642732 /nfs/dbraw/zinc/64/27/32/1173642732.db2.gz DROFFJVAZRVUSU-DFBGVHRSSA-N 1 3 311.401 0.761 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1(C)C ZINC000571043713 333488944 /nfs/dbraw/zinc/48/89/44/333488944.db2.gz AWCSYTWLWHGQBP-CPUCHLNUSA-N 1 3 324.469 0.025 20 0 DCADHO COCC[NH2+]CCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000583214649 337274343 /nfs/dbraw/zinc/27/43/43/337274343.db2.gz IFCVOWZESWPTCS-CQSZACIVSA-N 1 3 300.447 0.642 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@H](C)NC)[C@@H]1CC12CC[NH2+]CC2 ZINC000583822263 337336630 /nfs/dbraw/zinc/33/66/30/337336630.db2.gz GVWWMPGHVMECMC-UONOGXRCSA-N 1 3 319.453 0.982 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@H](CN)C1 ZINC000584519940 337354567 /nfs/dbraw/zinc/35/45/67/337354567.db2.gz VSHPGJHSCGGCEQ-OWCLPIDISA-N 1 3 317.437 0.026 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001445972288 1159327134 /nfs/dbraw/zinc/32/71/34/1159327134.db2.gz WWOZTJPGNFVNNZ-YPMHNXCESA-N 1 3 310.442 0.090 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000365024685 521012397 /nfs/dbraw/zinc/01/23/97/521012397.db2.gz CTJYFCHZAZBFJY-INIZCTEOSA-N 1 3 308.470 0.711 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC000158255757 521707704 /nfs/dbraw/zinc/70/77/04/521707704.db2.gz GQNQJTUYBHLCMX-KGLIPLIRSA-N 1 3 321.487 0.262 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000128316646 521925265 /nfs/dbraw/zinc/92/52/65/521925265.db2.gz DMOPBJMJEJTBAS-AWEZNQCLSA-N 1 3 318.421 0.755 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000128316646 521925271 /nfs/dbraw/zinc/92/52/71/521925271.db2.gz DMOPBJMJEJTBAS-AWEZNQCLSA-N 1 3 318.421 0.755 20 0 DCADHO C[NH2+]CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000237221067 521962829 /nfs/dbraw/zinc/96/28/29/521962829.db2.gz FAMOKZYGWBGTOI-UHFFFAOYSA-N 1 3 318.465 0.920 20 0 DCADHO C[NH+]1CCC(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000364153416 523761406 /nfs/dbraw/zinc/76/14/06/523761406.db2.gz DRVREBLGQKHAPL-GJZGRUSLSA-N 1 3 310.442 0.491 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418706895 528084071 /nfs/dbraw/zinc/08/40/71/528084071.db2.gz SUKKPPBKXRRYNC-HUUCEWRRSA-N 1 3 313.490 0.781 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000331868023 528996538 /nfs/dbraw/zinc/99/65/38/528996538.db2.gz AKZXTBRLWIXTJJ-QLFBSQMISA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC1([NH3+])CCC1 ZINC000237017451 545953528 /nfs/dbraw/zinc/95/35/28/545953528.db2.gz GSOHSUUVNIZGIY-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)N1CCN(C)CC1 ZINC000320792751 546033800 /nfs/dbraw/zinc/03/38/00/546033800.db2.gz ZDQVDEPKZHMNKI-HOTGVXAUSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)N(C)C1CC1 ZINC000342094721 546118725 /nfs/dbraw/zinc/11/87/25/546118725.db2.gz ZTIMCABROZONCM-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457997902 546264738 /nfs/dbraw/zinc/26/47/38/546264738.db2.gz CQGSZGZNSRANAR-LSDHHAIUSA-N 1 3 314.474 0.863 20 0 DCADHO C[N@H+](CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000655296295 546361031 /nfs/dbraw/zinc/36/10/31/546361031.db2.gz XLFSXRBSLZEFDS-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO C[N@@H+](CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCCCC1 ZINC000655296295 546361035 /nfs/dbraw/zinc/36/10/35/546361035.db2.gz XLFSXRBSLZEFDS-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CO)C1 ZINC000665759091 546394472 /nfs/dbraw/zinc/39/44/72/546394472.db2.gz ZDPDBOWRDZSYPR-UONOGXRCSA-N 1 3 300.447 0.282 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CO)C1 ZINC000665759091 546394478 /nfs/dbraw/zinc/39/44/78/546394478.db2.gz ZDPDBOWRDZSYPR-UONOGXRCSA-N 1 3 300.447 0.282 20 0 DCADHO C[NH+](C)[C@H]1CCN(CCn2cc(CCN3CCCCC3)nn2)C1 ZINC000656443835 546368853 /nfs/dbraw/zinc/36/88/53/546368853.db2.gz PSIXSHFHAOOPSZ-KRWDZBQOSA-N 1 3 320.485 0.942 20 0 DCADHO Cn1cncc1CCC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662284754 546375864 /nfs/dbraw/zinc/37/58/64/546375864.db2.gz ZNQIWVYFTBNPET-OAHLLOKOSA-N 1 3 303.414 0.740 20 0 DCADHO Cn1cncc1CCC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662284754 546375868 /nfs/dbraw/zinc/37/58/68/546375868.db2.gz ZNQIWVYFTBNPET-OAHLLOKOSA-N 1 3 303.414 0.740 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)CO ZINC000665760740 546395295 /nfs/dbraw/zinc/39/52/95/546395295.db2.gz OJLSXPRDVDOITN-ZDUSSCGKSA-N 1 3 302.463 0.576 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)CO ZINC000665760740 546395298 /nfs/dbraw/zinc/39/52/98/546395298.db2.gz OJLSXPRDVDOITN-ZDUSSCGKSA-N 1 3 302.463 0.576 20 0 DCADHO CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(N)=O ZINC000665760254 546395967 /nfs/dbraw/zinc/39/59/67/546395967.db2.gz DJWCNDQQCFQACM-QWHCGFSZSA-N 1 3 315.462 0.068 20 0 DCADHO CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(N)=O ZINC000665760254 546395971 /nfs/dbraw/zinc/39/59/71/546395971.db2.gz DJWCNDQQCFQACM-QWHCGFSZSA-N 1 3 315.462 0.068 20 0 DCADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(=O)NC ZINC000665763736 546396668 /nfs/dbraw/zinc/39/66/68/546396668.db2.gz KNNSOXKALICNLQ-QWHCGFSZSA-N 1 3 315.462 0.082 20 0 DCADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(=O)NC ZINC000665763736 546396672 /nfs/dbraw/zinc/39/66/72/546396672.db2.gz KNNSOXKALICNLQ-QWHCGFSZSA-N 1 3 315.462 0.082 20 0 DCADHO CO[C@@H](C)CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762596 546397009 /nfs/dbraw/zinc/39/70/09/546397009.db2.gz JQPFSUSOZNWCJQ-KBPBESRZSA-N 1 3 302.463 0.935 20 0 DCADHO CO[C@@H](C)CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762596 546397014 /nfs/dbraw/zinc/39/70/14/546397014.db2.gz JQPFSUSOZNWCJQ-KBPBESRZSA-N 1 3 302.463 0.935 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@](C)(O)C1 ZINC000665761820 546397706 /nfs/dbraw/zinc/39/77/06/546397706.db2.gz QVDZQCFYRLMRMQ-ZFWWWQNUSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@](C)(O)C1 ZINC000665761820 546397711 /nfs/dbraw/zinc/39/77/11/546397711.db2.gz QVDZQCFYRLMRMQ-ZFWWWQNUSA-N 1 3 300.447 0.425 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1O ZINC000666660728 546495104 /nfs/dbraw/zinc/49/51/04/546495104.db2.gz STHJIQGDTGINIX-BPUTZDHNSA-N 1 3 324.469 0.710 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1O ZINC000666660728 546495108 /nfs/dbraw/zinc/49/51/08/546495108.db2.gz STHJIQGDTGINIX-BPUTZDHNSA-N 1 3 324.469 0.710 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804529 546513435 /nfs/dbraw/zinc/51/34/35/546513435.db2.gz QRJFENVRRUFCAE-CQSZACIVSA-N 1 3 304.394 0.684 20 0 DCADHO C[N@H+]1CC=C(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000666975152 546537197 /nfs/dbraw/zinc/53/71/97/546537197.db2.gz IXKNJPHVIIDIDH-INIZCTEOSA-N 1 3 322.453 0.801 20 0 DCADHO C[N@@H+]1CC=C(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000666975152 546537201 /nfs/dbraw/zinc/53/72/01/546537201.db2.gz IXKNJPHVIIDIDH-INIZCTEOSA-N 1 3 322.453 0.801 20 0 DCADHO COCc1nccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000667969658 546675502 /nfs/dbraw/zinc/67/55/02/546675502.db2.gz PUMDSTBYLCISLT-UHFFFAOYSA-N 1 3 324.429 0.580 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000669462344 546973811 /nfs/dbraw/zinc/97/38/11/546973811.db2.gz AZLODKVLFPOBDT-CYBMUJFWSA-N 1 3 308.426 0.816 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCCO1 ZINC000669570884 546992562 /nfs/dbraw/zinc/99/25/62/546992562.db2.gz GOSYJXVPDMSZBC-PMPSAXMXSA-N 1 3 324.469 0.738 20 0 DCADHO CN1CCN(CCNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1(C)C ZINC000669580245 546993728 /nfs/dbraw/zinc/99/37/28/546993728.db2.gz QTUBKPFDXJGMGD-HUUCEWRRSA-N 1 3 323.485 0.406 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672594389 547385240 /nfs/dbraw/zinc/38/52/40/547385240.db2.gz YZJXGESLMAHBCX-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000672594389 547385244 /nfs/dbraw/zinc/38/52/44/547385244.db2.gz YZJXGESLMAHBCX-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000675196074 547668653 /nfs/dbraw/zinc/66/86/53/547668653.db2.gz ZEPIZHHFNAXRSV-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000675192126 547668730 /nfs/dbraw/zinc/66/87/30/547668730.db2.gz ULKFLFRIQCHLHK-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NCCC[NH+](C)C)ccn1 ZINC000677826080 547907044 /nfs/dbraw/zinc/90/70/44/547907044.db2.gz DDZFXDAWEMNBAI-UHFFFAOYSA-N 1 3 323.441 0.773 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)CCO)C2)c1 ZINC000980470253 660946768 /nfs/dbraw/zinc/94/67/68/660946768.db2.gz DOALAYNVNHCYHJ-INIZCTEOSA-N 1 3 305.422 0.887 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)c1 ZINC000980470253 660946769 /nfs/dbraw/zinc/94/67/69/660946769.db2.gz DOALAYNVNHCYHJ-INIZCTEOSA-N 1 3 305.422 0.887 20 0 DCADHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000925777891 660991171 /nfs/dbraw/zinc/99/11/71/660991171.db2.gz HWJFBGOOTYQRSH-XJFOESAGSA-N 1 3 303.397 0.978 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCO)C2)C1CC1 ZINC000981812049 661222816 /nfs/dbraw/zinc/22/28/16/661222816.db2.gz FRDCHHVLFOFHDL-OAHLLOKOSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2)C1CC1 ZINC000981812049 661222817 /nfs/dbraw/zinc/22/28/17/661222817.db2.gz FRDCHHVLFOFHDL-OAHLLOKOSA-N 1 3 309.454 0.633 20 0 DCADHO CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901920 661244299 /nfs/dbraw/zinc/24/42/99/661244299.db2.gz XTVIIOQIAHWYHW-SWKXRBFHSA-N 1 3 319.449 0.794 20 0 DCADHO CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC000981901920 661244300 /nfs/dbraw/zinc/24/43/00/661244300.db2.gz XTVIIOQIAHWYHW-SWKXRBFHSA-N 1 3 319.449 0.794 20 0 DCADHO [NH3+]CCCCCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237973602 665420905 /nfs/dbraw/zinc/42/09/05/665420905.db2.gz XCRVWXBHGPDLHH-UHFFFAOYSA-N 1 3 324.469 0.662 20 0 DCADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000998551984 665477781 /nfs/dbraw/zinc/47/77/81/665477781.db2.gz SACAXSBYXOAKFS-UYSNPLJNSA-N 1 3 317.437 0.958 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023086870 657491054 /nfs/dbraw/zinc/49/10/54/657491054.db2.gz ZVKSXDBXKVBQIF-UTUOFQBUSA-N 1 3 309.439 0.535 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023086870 657491057 /nfs/dbraw/zinc/49/10/57/657491057.db2.gz ZVKSXDBXKVBQIF-UTUOFQBUSA-N 1 3 309.439 0.535 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(Cc2cccc(C[NH+](C)C)c2)C1=O ZINC000924481788 657612980 /nfs/dbraw/zinc/61/29/80/657612980.db2.gz BOEPBBBJZCQRIT-CQSZACIVSA-N 1 3 304.394 0.730 20 0 DCADHO Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998722622 665512076 /nfs/dbraw/zinc/51/20/76/665512076.db2.gz OVZIFSNAFGXGBQ-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000998721499 665512212 /nfs/dbraw/zinc/51/22/12/665512212.db2.gz MMXYJSWAEJGSCE-CABCVRRESA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2CN(CCCO)C2)CC1 ZINC000970672556 657771735 /nfs/dbraw/zinc/77/17/35/657771735.db2.gz MQYNKXXFOLETDI-CQSZACIVSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCn1cccn1 ZINC000939209718 665518396 /nfs/dbraw/zinc/51/83/96/665518396.db2.gz IGPIKHFXTPLIFI-TZMCWYRMSA-N 1 3 302.382 0.285 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC000994922789 665532461 /nfs/dbraw/zinc/53/24/61/665532461.db2.gz AEFMKSINWRGVMQ-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(CCc2cnn(C)c2)C1 ZINC000970876730 658008798 /nfs/dbraw/zinc/00/87/98/658008798.db2.gz VOLZDADVHPXXEE-ZFWWWQNUSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCc2cnn(C)c2)C1 ZINC000970876730 658008803 /nfs/dbraw/zinc/00/88/03/658008803.db2.gz VOLZDADVHPXXEE-ZFWWWQNUSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1NCC(N)=O ZINC000939312887 665548534 /nfs/dbraw/zinc/54/85/34/665548534.db2.gz FYSJWTQZNBYGBP-IUODEOHRSA-N 1 3 318.421 0.284 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020593177 658177512 /nfs/dbraw/zinc/17/75/12/658177512.db2.gz YHIHIZHVDRTKDQ-MXAVVETBSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020593177 658177515 /nfs/dbraw/zinc/17/75/15/658177515.db2.gz YHIHIZHVDRTKDQ-MXAVVETBSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020593034 658177554 /nfs/dbraw/zinc/17/75/54/658177554.db2.gz VKPVKGRLFKQRJJ-FBUXBERBSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020593034 658177559 /nfs/dbraw/zinc/17/75/59/658177559.db2.gz VKPVKGRLFKQRJJ-FBUXBERBSA-N 1 3 306.410 0.918 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC000969985419 658325673 /nfs/dbraw/zinc/32/56/73/658325673.db2.gz HKUZBRYYMUWHKJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001022713024 658359862 /nfs/dbraw/zinc/35/98/62/658359862.db2.gz HHPGFLLMTQLTCH-YUELXQCFSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001022713024 658359873 /nfs/dbraw/zinc/35/98/73/658359873.db2.gz HHPGFLLMTQLTCH-YUELXQCFSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001022713998 658362195 /nfs/dbraw/zinc/36/21/95/658362195.db2.gz ONOKOCZKYCWCMI-SOUVJXGZSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC000970102997 658462547 /nfs/dbraw/zinc/46/25/47/658462547.db2.gz JZDDVAXNFUGOAI-CQSZACIVSA-N 1 3 316.409 0.656 20 0 DCADHO CC(C)[NH2+]C1CC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999143030 665584885 /nfs/dbraw/zinc/58/48/85/665584885.db2.gz KSZSTYWNQQDCDH-UZZMVUAXSA-N 1 3 307.438 0.837 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001020980701 658647664 /nfs/dbraw/zinc/64/76/64/658647664.db2.gz RRODTXAIFKAPOP-HDJSIYSDSA-N 1 3 316.409 0.474 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1)C1CC1 ZINC001039134359 658658389 /nfs/dbraw/zinc/65/83/89/658658389.db2.gz PUDUQYVNVUESNM-IRXDYDNUSA-N 1 3 323.481 0.879 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1)C1CC1 ZINC001039134359 658658392 /nfs/dbraw/zinc/65/83/92/658658392.db2.gz PUDUQYVNVUESNM-IRXDYDNUSA-N 1 3 323.481 0.879 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001021094084 658753246 /nfs/dbraw/zinc/75/32/46/658753246.db2.gz KXMHECYHUJCUEH-BZUAXINKSA-N 1 3 319.453 0.994 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]3CO)CC2)CC1 ZINC000892522022 658818401 /nfs/dbraw/zinc/81/84/01/658818401.db2.gz NCYBYEOBPDMXFT-HNNXBMFYSA-N 1 3 310.442 0.321 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C2CN(CCCO)C2)C1 ZINC000970319265 658860556 /nfs/dbraw/zinc/86/05/56/658860556.db2.gz SLXGSHHSARFAEZ-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C2CN(CCCO)C2)C1 ZINC000970319265 658860560 /nfs/dbraw/zinc/86/05/60/658860560.db2.gz SLXGSHHSARFAEZ-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891513358 658897881 /nfs/dbraw/zinc/89/78/81/658897881.db2.gz AUMBKEBISXACOB-KQTLUZQSSA-N 1 3 308.426 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@]23CCOC3)C1 ZINC001023024950 658919879 /nfs/dbraw/zinc/91/98/79/658919879.db2.gz NQZUCXXUDWSHDD-ZJOBFFGXSA-N 1 3 318.421 0.924 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001023025038 658919905 /nfs/dbraw/zinc/91/99/05/658919905.db2.gz RRODTXAIFKAPOP-OKILXGFUSA-N 1 3 316.409 0.474 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000999353431 665634369 /nfs/dbraw/zinc/63/43/69/665634369.db2.gz MNKKYJLQQDNLNG-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027170848 659057855 /nfs/dbraw/zinc/05/78/55/659057855.db2.gz PLJKWXSZQWUQCW-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027170848 659057861 /nfs/dbraw/zinc/05/78/61/659057861.db2.gz PLJKWXSZQWUQCW-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cc1cnc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001027217705 659089414 /nfs/dbraw/zinc/08/94/14/659089414.db2.gz OUXZOJBOUNLPEZ-OAHLLOKOSA-N 1 3 317.437 0.819 20 0 DCADHO COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)on1 ZINC001027218044 659090491 /nfs/dbraw/zinc/09/04/91/659090491.db2.gz WPFNTWUOXDBMPJ-ZDUSSCGKSA-N 1 3 322.409 0.717 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCN3C)C2)C1 ZINC000973966140 659094735 /nfs/dbraw/zinc/09/47/35/659094735.db2.gz RAABXSWZSOFPMW-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CCCN3C)C2)C1 ZINC000973966140 659094741 /nfs/dbraw/zinc/09/47/41/659094741.db2.gz RAABXSWZSOFPMW-BYNSBNAKSA-N 1 3 322.453 0.186 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC001027334893 659265758 /nfs/dbraw/zinc/26/57/58/659265758.db2.gz XGXNPMLTBWSAFJ-HOTGVXAUSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC001027334893 659265759 /nfs/dbraw/zinc/26/57/59/659265759.db2.gz XGXNPMLTBWSAFJ-HOTGVXAUSA-N 1 3 319.453 0.900 20 0 DCADHO COCCN1CC[C@@H](N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924601117 659407739 /nfs/dbraw/zinc/40/77/39/659407739.db2.gz VBCMMTHTYURHSJ-ZIAGYGMSSA-N 1 3 324.425 0.113 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001026734832 659492070 /nfs/dbraw/zinc/49/20/70/659492070.db2.gz UQNMKKCQRSAYAE-HOCLYGCPSA-N 1 3 317.437 0.817 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799134 659565244 /nfs/dbraw/zinc/56/52/44/659565244.db2.gz YXDYMMQPRPUQRW-OWYFMNJBSA-N 1 3 305.422 0.306 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799134 659565245 /nfs/dbraw/zinc/56/52/45/659565245.db2.gz YXDYMMQPRPUQRW-OWYFMNJBSA-N 1 3 305.422 0.306 20 0 DCADHO Cn1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1=O ZINC001019774736 659613239 /nfs/dbraw/zinc/61/32/39/659613239.db2.gz GCMIJYGHMQVESM-HNNXBMFYSA-N 1 3 318.421 0.172 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCc2ccns2)C1 ZINC001019774990 659613367 /nfs/dbraw/zinc/61/33/67/659613367.db2.gz QTIONRJWAKZFFD-ZDUSSCGKSA-N 1 3 308.451 0.972 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001026884948 659623365 /nfs/dbraw/zinc/62/33/65/659623365.db2.gz DQDMQMQVBFDZJQ-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001026884953 659623482 /nfs/dbraw/zinc/62/34/82/659623482.db2.gz DQDMQMQVBFDZJQ-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001026889362 659624971 /nfs/dbraw/zinc/62/49/71/659624971.db2.gz VPNWRKWRCVKLRI-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001026916756 659641461 /nfs/dbraw/zinc/64/14/61/659641461.db2.gz NOYXFUQEBVHVPC-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001020026430 659659672 /nfs/dbraw/zinc/65/96/72/659659672.db2.gz STAYCKZJRDLNGR-YRGRVCCFSA-N 1 3 306.414 0.129 20 0 DCADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001026963977 659679458 /nfs/dbraw/zinc/67/94/58/659679458.db2.gz AKOILPHWEIZRHR-HCEZTOJASA-N 1 3 307.438 0.696 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001027062731 659758170 /nfs/dbraw/zinc/75/81/70/659758170.db2.gz ATNLWHWSDNWJBS-OLZOCXBDSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001027062731 659758177 /nfs/dbraw/zinc/75/81/77/659758177.db2.gz ATNLWHWSDNWJBS-OLZOCXBDSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(N)=O ZINC000999875552 665705808 /nfs/dbraw/zinc/70/58/08/665705808.db2.gz GJDXKPSURCHMDE-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001000182307 665765803 /nfs/dbraw/zinc/76/58/03/665765803.db2.gz DLNYNXWWDYNZOS-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554321 661565567 /nfs/dbraw/zinc/56/55/67/661565567.db2.gz VHENSYFSMONLFE-UOVPBQLFSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554321 661565570 /nfs/dbraw/zinc/56/55/70/661565570.db2.gz VHENSYFSMONLFE-UOVPBQLFSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597989 661590763 /nfs/dbraw/zinc/59/07/63/661590763.db2.gz DWNQKNAULVNULV-WQVCFCJDSA-N 1 3 306.410 0.503 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982597989 661590764 /nfs/dbraw/zinc/59/07/64/661590764.db2.gz DWNQKNAULVNULV-WQVCFCJDSA-N 1 3 306.410 0.503 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656149 661730958 /nfs/dbraw/zinc/73/09/58/661730958.db2.gz FDBLTKGHZJFWFG-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698412 661765546 /nfs/dbraw/zinc/76/55/46/661765546.db2.gz JFRFHXVVPFXBMU-BOLLXYOYSA-N 1 3 307.438 0.698 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698412 661765551 /nfs/dbraw/zinc/76/55/51/661765551.db2.gz JFRFHXVVPFXBMU-BOLLXYOYSA-N 1 3 307.438 0.698 20 0 DCADHO CCc1[nH]c(C[NH2+]CC2(O)CCN(C)CC2)cc1C(=O)OC ZINC000894303313 661838444 /nfs/dbraw/zinc/83/84/44/661838444.db2.gz IEDSFPYJMOTNSZ-UHFFFAOYSA-N 1 3 309.410 0.910 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940626162 665816106 /nfs/dbraw/zinc/81/61/06/665816106.db2.gz ZWDUSLJUSHOTCR-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940626162 665816108 /nfs/dbraw/zinc/81/61/08/665816108.db2.gz ZWDUSLJUSHOTCR-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000390537 665834028 /nfs/dbraw/zinc/83/40/28/665834028.db2.gz QJEQSHMAQUQIQE-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CO[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000895667090 662204927 /nfs/dbraw/zinc/20/49/27/662204927.db2.gz YQCVSWYUEAFCJF-KBPBESRZSA-N 1 3 316.446 0.273 20 0 DCADHO CO[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000895667090 662204928 /nfs/dbraw/zinc/20/49/28/662204928.db2.gz YQCVSWYUEAFCJF-KBPBESRZSA-N 1 3 316.446 0.273 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000895666765 662205226 /nfs/dbraw/zinc/20/52/26/662205226.db2.gz RJMZFOMWVCDNMI-YNEHKIRRSA-N 1 3 314.430 0.262 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000895666765 662205228 /nfs/dbraw/zinc/20/52/28/662205228.db2.gz RJMZFOMWVCDNMI-YNEHKIRRSA-N 1 3 314.430 0.262 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)cc1 ZINC001000466364 665850447 /nfs/dbraw/zinc/85/04/47/665850447.db2.gz OXOKZSDEQQXAKL-OAHLLOKOSA-N 1 3 318.421 0.428 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000984798826 662315919 /nfs/dbraw/zinc/31/59/19/662315919.db2.gz CGKZGOQHYRVUDK-IIAWOOMASA-N 1 3 319.453 0.889 20 0 DCADHO Cc1oncc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000985120815 662370297 /nfs/dbraw/zinc/37/02/97/662370297.db2.gz YYIOJXDGKBOYRK-YDHLFZDLSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CNC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000985120815 662370298 /nfs/dbraw/zinc/37/02/98/662370298.db2.gz YYIOJXDGKBOYRK-YDHLFZDLSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985439752 662446429 /nfs/dbraw/zinc/44/64/29/662446429.db2.gz YUMVOIKGHVNILW-MBNYWOFBSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000985439752 662446431 /nfs/dbraw/zinc/44/64/31/662446431.db2.gz YUMVOIKGHVNILW-MBNYWOFBSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985466591 662459958 /nfs/dbraw/zinc/45/99/58/662459958.db2.gz AEWRMLKYCMDFEB-FZMZJTMJSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985466591 662459960 /nfs/dbraw/zinc/45/99/60/662459960.db2.gz AEWRMLKYCMDFEB-FZMZJTMJSA-N 1 3 310.442 0.123 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985647926 662495490 /nfs/dbraw/zinc/49/54/90/662495490.db2.gz RWRMEAGXUJVVAZ-UKRRQHHQSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985647926 662495491 /nfs/dbraw/zinc/49/54/91/662495491.db2.gz RWRMEAGXUJVVAZ-UKRRQHHQSA-N 1 3 324.469 0.657 20 0 DCADHO C[N@H+](C[C@@H]1CCOC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852587 662498078 /nfs/dbraw/zinc/49/80/78/662498078.db2.gz FKHMAXUFNIECOO-KGLIPLIRSA-N 1 3 306.410 0.769 20 0 DCADHO C[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852587 662498079 /nfs/dbraw/zinc/49/80/79/662498079.db2.gz FKHMAXUFNIECOO-KGLIPLIRSA-N 1 3 306.410 0.769 20 0 DCADHO C[N@H+](CCn1cncn1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675173 662499428 /nfs/dbraw/zinc/49/94/28/662499428.db2.gz PIPREPGJNZVTPS-UHFFFAOYSA-N 1 3 317.397 0.167 20 0 DCADHO C[N@@H+](CCn1cncn1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675173 662499429 /nfs/dbraw/zinc/49/94/29/662499429.db2.gz PIPREPGJNZVTPS-UHFFFAOYSA-N 1 3 317.397 0.167 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985752670 662508572 /nfs/dbraw/zinc/50/85/72/662508572.db2.gz ZENSSVRYMKXKLB-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985752670 662508573 /nfs/dbraw/zinc/50/85/73/662508573.db2.gz ZENSSVRYMKXKLB-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001029904631 662554285 /nfs/dbraw/zinc/55/42/85/662554285.db2.gz ZTAOSDFYVOTHHT-HNNXBMFYSA-N 1 3 319.453 0.796 20 0 DCADHO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001029904631 662554286 /nfs/dbraw/zinc/55/42/86/662554286.db2.gz ZTAOSDFYVOTHHT-HNNXBMFYSA-N 1 3 319.453 0.796 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN(C)C1CCC1 ZINC000986353008 662585389 /nfs/dbraw/zinc/58/53/89/662585389.db2.gz HWJXUEYFLKMXDY-BBRMVZONSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CC2CCOCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060144 662639875 /nfs/dbraw/zinc/63/98/75/662639875.db2.gz URKPCXCCXGPWGD-DOMZBBRYSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000987189276 662652215 /nfs/dbraw/zinc/65/22/15/662652215.db2.gz DRYKLMBEMUQSLX-DOMZBBRYSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN1CCCC1 ZINC000987515129 662683404 /nfs/dbraw/zinc/68/34/04/662683404.db2.gz AIEWEGMSSINCSD-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569299 662688227 /nfs/dbraw/zinc/68/82/27/662688227.db2.gz XFRRNPSKHACHJF-BBRMVZONSA-N 1 3 305.422 0.933 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001030019301 662855140 /nfs/dbraw/zinc/85/51/40/662855140.db2.gz KHKFPIKYNKJFRU-MJBXVCDLSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001030019477 662882795 /nfs/dbraw/zinc/88/27/95/662882795.db2.gz OKCAQAAJWUOVFG-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001030019500 662887370 /nfs/dbraw/zinc/88/73/70/662887370.db2.gz BPGRLOAGHAGOCK-BFHYXJOUSA-N 1 3 310.442 0.138 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC001000691502 665910812 /nfs/dbraw/zinc/91/08/12/665910812.db2.gz ZJXPQGQRMXWLLU-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC001000691502 665910814 /nfs/dbraw/zinc/91/08/14/665910814.db2.gz ZJXPQGQRMXWLLU-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729602031 662904832 /nfs/dbraw/zinc/90/48/32/662904832.db2.gz JQOSWYUNVKXICR-KKUMJFAQSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001000682120 665915740 /nfs/dbraw/zinc/91/57/40/665915740.db2.gz IBGUIWCQPIOWIE-JKSUJKDBSA-N 1 3 307.438 0.601 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001000682120 665915742 /nfs/dbraw/zinc/91/57/42/665915742.db2.gz IBGUIWCQPIOWIE-JKSUJKDBSA-N 1 3 307.438 0.601 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000713810 665920874 /nfs/dbraw/zinc/92/08/74/665920874.db2.gz XFFXUJNHSNFXPZ-AWEZNQCLSA-N 1 3 317.437 0.597 20 0 DCADHO CC1(C)C[NH2+]CC[C@H](NCC[C@@H]2CNCCS2(=O)=O)C1 ZINC000902401961 663412471 /nfs/dbraw/zinc/41/24/71/663412471.db2.gz GHJGNPLNXJCPFD-QWHCGFSZSA-N 1 3 303.472 0.131 20 0 DCADHO Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001000920952 665962437 /nfs/dbraw/zinc/96/24/37/665962437.db2.gz SVMQEBHWWCEIQI-AWEZNQCLSA-N 1 3 305.426 0.597 20 0 DCADHO O=C1OCCN1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505692 663457479 /nfs/dbraw/zinc/45/74/79/663457479.db2.gz HNIOWQNEQQCXNY-GASCZTMLSA-N 1 3 308.426 0.339 20 0 DCADHO O=C1OCCN1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505692 663457480 /nfs/dbraw/zinc/45/74/80/663457480.db2.gz HNIOWQNEQQCXNY-GASCZTMLSA-N 1 3 308.426 0.339 20 0 DCADHO CC(C)C(=O)NC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723029 663475118 /nfs/dbraw/zinc/47/51/18/663475118.db2.gz SEGQYYJACLULMU-NVXWUHKLSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCC(C3OCCO3)CC2)cnn1C ZINC000903888592 663489708 /nfs/dbraw/zinc/48/97/08/663489708.db2.gz GSOJIYGGMSTRMX-CQSZACIVSA-N 1 3 322.453 0.931 20 0 DCADHO CC1(C)CN(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903927585 663496174 /nfs/dbraw/zinc/49/61/74/663496174.db2.gz ZUOYVDHJSIZUBC-CQSZACIVSA-N 1 3 322.457 0.403 20 0 DCADHO CN1CCN(c2ncc(CN3CC[C@@H](CC[NH3+])C3)cn2)CC1 ZINC000904405176 663512529 /nfs/dbraw/zinc/51/25/29/663512529.db2.gz GKFGGSSSHVFACD-CQSZACIVSA-N 1 3 304.442 0.399 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000904486650 663515344 /nfs/dbraw/zinc/51/53/44/663515344.db2.gz XAHSYONLKGIOFU-SWLSCSKDSA-N 1 3 306.414 0.790 20 0 DCADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000905006968 663523118 /nfs/dbraw/zinc/52/31/18/663523118.db2.gz KDFBCYHYRWCNNN-JKIFEVAISA-N 1 3 320.437 0.023 20 0 DCADHO C[C@](O)(C[NH2+]C[C@@H](O)CN1CCCC1)C(F)(F)C(F)(F)F ZINC000905346428 663547299 /nfs/dbraw/zinc/54/72/99/663547299.db2.gz QISBXULZOZARTP-ZJUUUORDSA-N 1 3 320.302 0.981 20 0 DCADHO C[C@](O)(C[NH2+]C[C@H](O)CN1CCCC1)C(F)(F)C(F)(F)F ZINC000905346424 663547389 /nfs/dbraw/zinc/54/73/89/663547389.db2.gz QISBXULZOZARTP-UWVGGRQHSA-N 1 3 320.302 0.981 20 0 DCADHO C[C@@H]1CC[C@@H](CN2CC(CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001031947233 665983969 /nfs/dbraw/zinc/98/39/69/665983969.db2.gz DQSUMOPVRCKKLP-CJNGLKHVSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906646790 663626966 /nfs/dbraw/zinc/62/69/66/663626966.db2.gz WKCFICFRQKIHLG-CYBMUJFWSA-N 1 3 318.421 0.932 20 0 DCADHO CN(C)CCn1nccc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908441719 663755711 /nfs/dbraw/zinc/75/57/11/663755711.db2.gz BXQXTCHZRPOPNB-UHFFFAOYSA-N 1 3 321.425 0.494 20 0 DCADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000908602344 663763489 /nfs/dbraw/zinc/76/34/89/663763489.db2.gz NAQVDZALHGCUQT-OAHLLOKOSA-N 1 3 309.454 0.965 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911055486 663973085 /nfs/dbraw/zinc/97/30/85/663973085.db2.gz PROBYLDRFFWYAT-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911030399 663973733 /nfs/dbraw/zinc/97/37/33/663973733.db2.gz VRYAEVUOKASXIJ-TUVASFSCSA-N 1 3 324.469 0.195 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000911160564 663995453 /nfs/dbraw/zinc/99/54/53/663995453.db2.gz FGHXUMAGDUQTOQ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C1=CCN(C)CC1 ZINC000911219596 664007600 /nfs/dbraw/zinc/00/76/00/664007600.db2.gz PJBCPRPIEAHWPF-SUMWQHHRSA-N 1 3 320.437 0.108 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911331973 664029418 /nfs/dbraw/zinc/02/94/18/664029418.db2.gz MFSGQQUWTNEKGZ-ILXRZTDVSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911390133 664043255 /nfs/dbraw/zinc/04/32/55/664043255.db2.gz HMFPXXZJWYEZLL-ZIAGYGMSSA-N 1 3 324.469 0.196 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911432921 664051347 /nfs/dbraw/zinc/05/13/47/664051347.db2.gz SXKURXXFXQQSJX-CKEIUWERSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911529694 664069214 /nfs/dbraw/zinc/06/92/14/664069214.db2.gz FWHQFOHYOQEOHV-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000911555220 664078064 /nfs/dbraw/zinc/07/80/64/664078064.db2.gz GFQNIHQGISOBGI-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCC[C@H](C)C1 ZINC000911557572 664078947 /nfs/dbraw/zinc/07/89/47/664078947.db2.gz OYFNDTGVBAHSTF-XUXIUFHCSA-N 1 3 310.442 0.077 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NC[C@@H]3CCCC[NH2+]3)ccc2NC1=O ZINC000911715307 664101980 /nfs/dbraw/zinc/10/19/80/664101980.db2.gz XCHXAMLAOMWLPL-UONOGXRCSA-N 1 3 316.405 0.771 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991477712 664359715 /nfs/dbraw/zinc/35/97/15/664359715.db2.gz HLORKZOBVBDZHA-GJZGRUSLSA-N 1 3 322.453 0.280 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991477712 664359717 /nfs/dbraw/zinc/35/97/17/664359717.db2.gz HLORKZOBVBDZHA-GJZGRUSLSA-N 1 3 322.453 0.280 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000992405911 664707256 /nfs/dbraw/zinc/70/72/56/664707256.db2.gz JEJBVXPQAVQNTO-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000992405911 664707257 /nfs/dbraw/zinc/70/72/57/664707257.db2.gz JEJBVXPQAVQNTO-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CCO[C@@H](CNC(=O)N[C@H]1CCCN(CC)C1)C[NH+](C)C ZINC000914316323 664771291 /nfs/dbraw/zinc/77/12/91/664771291.db2.gz QAAHQOVWHFEZCG-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104362891 1157555824 /nfs/dbraw/zinc/55/58/24/1157555824.db2.gz OEKIGGMKZCAPKF-CHWSQXEVSA-N 1 3 312.458 0.276 20 0 DCADHO Cn1cncc1C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998117419 665402667 /nfs/dbraw/zinc/40/26/67/665402667.db2.gz ZVLDQMNJTNKRLM-UHFFFAOYSA-N 1 3 316.409 0.714 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941438105 665998630 /nfs/dbraw/zinc/99/86/30/665998630.db2.gz JNEGAXYVWDRAFM-KRWDZBQOSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCn3cncn3)CC2)CC[N@@H+]1C ZINC001002859618 666234857 /nfs/dbraw/zinc/23/48/57/666234857.db2.gz AQTQUTVNZFCNJE-UKRRQHHQSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCn3cncn3)CC2)CC[N@H+]1C ZINC001002859618 666234860 /nfs/dbraw/zinc/23/48/60/666234860.db2.gz AQTQUTVNZFCNJE-UKRRQHHQSA-N 1 3 320.441 0.199 20 0 DCADHO O=C(NCC1CN(C[C@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001032131750 666367956 /nfs/dbraw/zinc/36/79/56/666367956.db2.gz SVPQLEXCIRUBJA-OAHLLOKOSA-N 1 3 307.438 0.699 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1)N(C)C ZINC000946764877 666631805 /nfs/dbraw/zinc/63/18/05/666631805.db2.gz CLMGBKOEAJVAAM-OWCLPIDISA-N 1 3 311.470 0.735 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1)N(C)C ZINC000946764877 666631807 /nfs/dbraw/zinc/63/18/07/666631807.db2.gz CLMGBKOEAJVAAM-OWCLPIDISA-N 1 3 311.470 0.735 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995838225 666712822 /nfs/dbraw/zinc/71/28/22/666712822.db2.gz HYJPVMBAVLGOIF-YNEHKIRRSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC[N@H+]1C ZINC000995838225 666712825 /nfs/dbraw/zinc/71/28/25/666712825.db2.gz HYJPVMBAVLGOIF-YNEHKIRRSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995920097 666720100 /nfs/dbraw/zinc/72/01/00/666720100.db2.gz SGXOCPNIZNARIC-UONOGXRCSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995920097 666720102 /nfs/dbraw/zinc/72/01/02/666720102.db2.gz SGXOCPNIZNARIC-UONOGXRCSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996004416 666729796 /nfs/dbraw/zinc/72/97/96/666729796.db2.gz MZAVEBFVJDEURR-KGLIPLIRSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996004416 666729797 /nfs/dbraw/zinc/72/97/97/666729797.db2.gz MZAVEBFVJDEURR-KGLIPLIRSA-N 1 3 324.469 0.419 20 0 DCADHO COCCN1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489691 666730689 /nfs/dbraw/zinc/73/06/89/666730689.db2.gz JBTWEBMPZYFWRX-OAHLLOKOSA-N 1 3 323.441 0.237 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(CCO)C1 ZINC001033856162 666846902 /nfs/dbraw/zinc/84/69/02/666846902.db2.gz RRYBLLRBPVAOKS-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CCO)C1 ZINC001033856162 666846905 /nfs/dbraw/zinc/84/69/05/666846905.db2.gz RRYBLLRBPVAOKS-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1)C1CCC1 ZINC000996664889 666853623 /nfs/dbraw/zinc/85/36/23/666853623.db2.gz KIHFKSBWKNZQEM-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C)C(N)=O ZINC000996673166 666854767 /nfs/dbraw/zinc/85/47/67/666854767.db2.gz SCRMNAZVRSMQIK-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)CCC1 ZINC000996671505 666856301 /nfs/dbraw/zinc/85/63/01/666856301.db2.gz ONSOSBSFYVAKAK-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO COCCN1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034209425 666955773 /nfs/dbraw/zinc/95/57/73/666955773.db2.gz AYDHWZJKMDYUBQ-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000861730213 666968051 /nfs/dbraw/zinc/96/80/51/666968051.db2.gz OKUMJPQBTZTODW-DZGCQCFKSA-N 1 3 320.437 0.081 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000996993226 667059707 /nfs/dbraw/zinc/05/97/07/667059707.db2.gz BVRGMJFZMSJMMS-UKRRQHHQSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996993757 667060215 /nfs/dbraw/zinc/06/02/15/667060215.db2.gz DVMVZWSCGLSJHL-CYBMUJFWSA-N 1 3 320.441 0.380 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000997008595 667072141 /nfs/dbraw/zinc/07/21/41/667072141.db2.gz CLJBEECGZNWKRR-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001034570452 667074542 /nfs/dbraw/zinc/07/45/42/667074542.db2.gz XVSGJLGXCONPSK-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CCn2cncn2)CC1)N(C)C ZINC000997014857 667076123 /nfs/dbraw/zinc/07/61/23/667076123.db2.gz MAIWNYOSMAYTHA-AWEZNQCLSA-N 1 3 308.430 0.199 20 0 DCADHO CN(C(=O)C12CCC[NH+](CCC1)C2)C1CCN(CCO)CC1 ZINC001005567652 667082515 /nfs/dbraw/zinc/08/25/15/667082515.db2.gz BGPFOZBNWWDUFQ-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO C[NH+]1CCC([C@H]2CCN([C@H]3CC(=O)N(CCCO)C3=O)C2)CC1 ZINC000840741820 667097930 /nfs/dbraw/zinc/09/79/30/667097930.db2.gz ZTYMVCFKTAUPEQ-GJZGRUSLSA-N 1 3 323.437 0.160 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001034736252 667129722 /nfs/dbraw/zinc/12/97/22/667129722.db2.gz UPAQDDRJGGWNCJ-CRWXNKLISA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1)C(N)=O ZINC001034738237 667131937 /nfs/dbraw/zinc/13/19/37/667131937.db2.gz RTHNONMOKQHISI-ZQDZILKHSA-N 1 3 324.469 0.752 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C)C1CCC1 ZINC001034957956 667197919 /nfs/dbraw/zinc/19/79/19/667197919.db2.gz QYBAQQJQCTTZKG-OAHLLOKOSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1)C1CCC1 ZINC001034957855 667198321 /nfs/dbraw/zinc/19/83/21/667198321.db2.gz LZYZNTHEZNTPBA-MRXNPFEDSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997188228 667213409 /nfs/dbraw/zinc/21/34/09/667213409.db2.gz YXXXPSRMHJJRKN-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997188228 667213413 /nfs/dbraw/zinc/21/34/13/667213413.db2.gz YXXXPSRMHJJRKN-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@]1(NC(=O)C2C[NH+](C3CCOCC3)C2)CN2CCC1CC2 ZINC000864085275 667213531 /nfs/dbraw/zinc/21/35/31/667213531.db2.gz ULOXZMOVAGBYDK-QGZVFWFLSA-N 1 3 307.438 0.698 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001035085624 667236302 /nfs/dbraw/zinc/23/63/02/667236302.db2.gz HTXBKJYVQAQBIQ-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)ncn1 ZINC000997307839 667244667 /nfs/dbraw/zinc/24/46/67/667244667.db2.gz XHCJTRUJYBEBBM-UHFFFAOYSA-N 1 3 317.437 0.961 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC[N@H+](CCO)C3)CC2)C1 ZINC001035227025 667271665 /nfs/dbraw/zinc/27/16/65/667271665.db2.gz MWSAHMORCWVTAH-OAHLLOKOSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC[N@@H+](CCO)C3)CC2)C1 ZINC001035227025 667271667 /nfs/dbraw/zinc/27/16/67/667271667.db2.gz MWSAHMORCWVTAH-OAHLLOKOSA-N 1 3 309.454 0.635 20 0 DCADHO C[NH+]1CCC(NCc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000865773201 667345783 /nfs/dbraw/zinc/34/57/83/667345783.db2.gz JETFZHQQEBZDMY-UHFFFAOYSA-N 1 3 316.405 0.922 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035709379 667402731 /nfs/dbraw/zinc/40/27/31/667402731.db2.gz VBLGJMZLNGTTHW-RRFJBIMHSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035709379 667402733 /nfs/dbraw/zinc/40/27/33/667402733.db2.gz VBLGJMZLNGTTHW-RRFJBIMHSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccnn1C ZINC001036206269 667429925 /nfs/dbraw/zinc/42/99/25/667429925.db2.gz QGJDSVNIBASRLT-WFASDCNBSA-N 1 3 316.409 0.713 20 0 DCADHO Cc1ccc(NC(=O)[C@H]2CCCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)nc1 ZINC000923322159 667507413 /nfs/dbraw/zinc/50/74/13/667507413.db2.gz SWENHPVYILOYTA-AJNGGQMLSA-N 1 3 318.421 0.891 20 0 DCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000884339935 667528079 /nfs/dbraw/zinc/52/80/79/667528079.db2.gz ALBFEMSLWKYZDE-KGLIPLIRSA-N 1 3 308.430 0.534 20 0 DCADHO CO[C@@H](CN)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000884406437 667539224 /nfs/dbraw/zinc/53/92/24/667539224.db2.gz VGJMBFCFFIBUIM-CVEARBPZSA-N 1 3 305.422 0.736 20 0 DCADHO CO[C@@H](CN)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000884406437 667539226 /nfs/dbraw/zinc/53/92/26/667539226.db2.gz VGJMBFCFFIBUIM-CVEARBPZSA-N 1 3 305.422 0.736 20 0 DCADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@@H](CC[NH3+])C1 ZINC000923487342 667543044 /nfs/dbraw/zinc/54/30/44/667543044.db2.gz ZVOCRXBUFYTALA-RKDXNWHRSA-N 1 3 310.320 0.434 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000923482192 667544154 /nfs/dbraw/zinc/54/41/54/667544154.db2.gz CLNBBKCSGAYHCK-HNNXBMFYSA-N 1 3 316.449 0.836 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923484843 667545244 /nfs/dbraw/zinc/54/52/44/667545244.db2.gz OKYQIOSCBXJUAJ-ZIAGYGMSSA-N 1 3 311.426 0.601 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000868338155 667557814 /nfs/dbraw/zinc/55/78/14/667557814.db2.gz MQJVLPGHOZEXSG-RYUDHWBXSA-N 1 3 316.446 0.508 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@@H]1C[NH3+] ZINC000868403938 667566518 /nfs/dbraw/zinc/56/65/18/667566518.db2.gz BDIFRCKSHHCXLO-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCC1(C)C ZINC000868403949 667566589 /nfs/dbraw/zinc/56/65/89/667566589.db2.gz BFPHZWXQUSNNEK-KRWDZBQOSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CCC1(C)C ZINC000868406776 667567091 /nfs/dbraw/zinc/56/70/91/667567091.db2.gz OUDIZFVKPUTGLW-UHFFFAOYSA-N 1 3 310.442 0.269 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000884576710 667569431 /nfs/dbraw/zinc/56/94/31/667569431.db2.gz OMSWFCKKDBMZCP-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000884631609 667579690 /nfs/dbraw/zinc/57/96/90/667579690.db2.gz PXXDAFWMLSUEBD-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000884664000 667584751 /nfs/dbraw/zinc/58/47/51/667584751.db2.gz ADCQQGBSMLJRJO-AGIUHOORSA-N 1 3 310.442 0.171 20 0 DCADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000884775405 667605502 /nfs/dbraw/zinc/60/55/02/667605502.db2.gz CZJYUNSEBWFLNY-MCIONIFRSA-N 1 3 308.426 0.069 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884787652 667607172 /nfs/dbraw/zinc/60/71/72/667607172.db2.gz YKEPQCDDOHLCRQ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCCNCC2)CC1 ZINC000884976599 667629873 /nfs/dbraw/zinc/62/98/73/667629873.db2.gz UZDHWMKZFDVVSM-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CCN(CCOC)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923607194 667637163 /nfs/dbraw/zinc/63/71/63/667637163.db2.gz XWHOBPLQTLAPJR-AWEZNQCLSA-N 1 3 321.487 0.358 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000885198880 667651807 /nfs/dbraw/zinc/65/18/07/667651807.db2.gz HFMNWTJCKAFEGI-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO CN1CCN(c2cc[nH+]c(NC(=O)Cc3ncc[nH]3)c2)CC1 ZINC000870665284 667750082 /nfs/dbraw/zinc/75/00/82/667750082.db2.gz PAFPQLCYTOPICM-UHFFFAOYSA-N 1 3 300.366 0.738 20 0 DCADHO CCN(C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000887068117 667844781 /nfs/dbraw/zinc/84/47/81/667844781.db2.gz GGTQYFZWSGXQJM-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCO)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000888056562 667942887 /nfs/dbraw/zinc/94/28/87/667942887.db2.gz QMPVEVALGSQXAC-UHFFFAOYSA-N 1 3 324.429 0.195 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924478316 668209530 /nfs/dbraw/zinc/20/95/30/668209530.db2.gz JJSDXYJGEBCTHY-MGPQQGTHSA-N 1 3 310.442 0.836 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[N@@H+]1C ZINC000925334202 668299239 /nfs/dbraw/zinc/29/92/39/668299239.db2.gz KIHXTOLKHDQTCT-FMKPAKJESA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC[N@H+]1C ZINC000925334202 668299244 /nfs/dbraw/zinc/29/92/44/668299244.db2.gz KIHXTOLKHDQTCT-FMKPAKJESA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H](C)O1 ZINC000925406947 668310827 /nfs/dbraw/zinc/31/08/27/668310827.db2.gz IJOVKQDJVOTFGA-FPCVCCKLSA-N 1 3 324.469 0.974 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@H]2CC[N@H+]2C)C[C@@H](C)O1 ZINC000925406947 668310831 /nfs/dbraw/zinc/31/08/31/668310831.db2.gz IJOVKQDJVOTFGA-FPCVCCKLSA-N 1 3 324.469 0.974 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000925417348 668314353 /nfs/dbraw/zinc/31/43/53/668314353.db2.gz ZMDUUUDESGOWHA-HZPDHXFCSA-N 1 3 323.485 0.500 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000925417348 668314357 /nfs/dbraw/zinc/31/43/57/668314357.db2.gz ZMDUUUDESGOWHA-HZPDHXFCSA-N 1 3 323.485 0.500 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@@H](c2ccccc2)[C@H](C)N)CC1 ZINC000925537188 668328847 /nfs/dbraw/zinc/32/88/47/668328847.db2.gz KHKNHLITRQGQDV-SUMWQHHRSA-N 1 3 304.438 0.875 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926383759 668401532 /nfs/dbraw/zinc/40/15/32/668401532.db2.gz VUJJIGHNAGXHHM-WMLDXEAASA-N 1 3 322.453 0.284 20 0 DCADHO COCCN(C)CCNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876746140 668500849 /nfs/dbraw/zinc/50/08/49/668500849.db2.gz TYWCGKYBXUQFBX-AWEZNQCLSA-N 1 3 323.441 0.424 20 0 DCADHO CN(C)C[C@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000876754189 668502510 /nfs/dbraw/zinc/50/25/10/668502510.db2.gz QLAXLYHWFDSTEW-INIZCTEOSA-N 1 3 322.453 0.522 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000876782481 668510755 /nfs/dbraw/zinc/51/07/55/668510755.db2.gz SQUQWLAICCRLEC-CNVJVTTQSA-N 1 3 322.497 0.788 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876878942 668526168 /nfs/dbraw/zinc/52/61/68/668526168.db2.gz DYBISMNAYWDAIL-HIFRSBDPSA-N 1 3 308.401 0.919 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)[C@@H]3CCCC[NH2+]3)c2)nn1 ZINC000877208233 668576927 /nfs/dbraw/zinc/57/69/27/668576927.db2.gz VHUGETWYNFAYLT-HNNXBMFYSA-N 1 3 314.393 0.484 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)C[C@H]3CCC[NH2+]3)c2)nn1 ZINC000877207749 668577102 /nfs/dbraw/zinc/57/71/02/668577102.db2.gz ICLHYIFDAQQDPT-CYBMUJFWSA-N 1 3 314.393 0.484 20 0 DCADHO COc1ccc([C@@H]2CN(C(=O)[C@H](N)CC(F)F)C[C@H]2[NH3+])cc1 ZINC000877237701 668580997 /nfs/dbraw/zinc/58/09/97/668580997.db2.gz GHDOLXOMAIRHJD-YNEHKIRRSA-N 1 3 313.348 0.931 20 0 DCADHO C[C@@H]1[C@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1C ZINC000928449342 668585850 /nfs/dbraw/zinc/58/58/50/668585850.db2.gz QCPPAPOFOFRKQZ-QGPMSJSTSA-N 1 3 317.433 0.832 20 0 DCADHO C[C@@H]1[C@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C ZINC000928449342 668585856 /nfs/dbraw/zinc/58/58/56/668585856.db2.gz QCPPAPOFOFRKQZ-QGPMSJSTSA-N 1 3 317.433 0.832 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877403637 668616528 /nfs/dbraw/zinc/61/65/28/668616528.db2.gz RVGIHPAHNHUMJG-ZFWWWQNUSA-N 1 3 324.469 0.515 20 0 DCADHO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000769613434 668655073 /nfs/dbraw/zinc/65/50/73/668655073.db2.gz YADKSCXNOULJMN-GJZGRUSLSA-N 1 3 310.442 0.587 20 0 DCADHO CC[N@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000769613434 668655078 /nfs/dbraw/zinc/65/50/78/668655078.db2.gz YADKSCXNOULJMN-GJZGRUSLSA-N 1 3 310.442 0.587 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000775032674 668854899 /nfs/dbraw/zinc/85/48/99/668854899.db2.gz HIGZHBCIRZMDEY-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(CCO[C@@H]2CCOC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930135280 668965623 /nfs/dbraw/zinc/96/56/23/668965623.db2.gz CZHJFKXKBGGQCP-ZACQAIPSSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1C[N@H+](CCO[C@@H]2CCOC2)CC[C@@H]1N1CCN(C)CC1 ZINC000930135280 668965629 /nfs/dbraw/zinc/96/56/29/668965629.db2.gz CZHJFKXKBGGQCP-ZACQAIPSSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)CC[C@@H]1N1CCN(C)CC1 ZINC000930135280 668965632 /nfs/dbraw/zinc/96/56/32/668965632.db2.gz CZHJFKXKBGGQCP-ZACQAIPSSA-N 1 3 311.470 0.750 20 0 DCADHO CCOC(=O)[C@](C)(O)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879596229 669070579 /nfs/dbraw/zinc/07/05/79/669070579.db2.gz JNXYFHVGRGICPP-MRXNPFEDSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1)N1CCCCC1 ZINC000793723046 669738428 /nfs/dbraw/zinc/73/84/28/669738428.db2.gz WDAJDJUYPLGPHI-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N1CCCCC1 ZINC000793723046 669738430 /nfs/dbraw/zinc/73/84/30/669738430.db2.gz WDAJDJUYPLGPHI-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC000799165061 670047030 /nfs/dbraw/zinc/04/70/30/670047030.db2.gz REVZHNODCGTLSK-HZSPNIEDSA-N 1 3 311.426 0.518 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000848306274 670666021 /nfs/dbraw/zinc/66/60/21/670666021.db2.gz CSUISBUSLDQPDL-DLBZAZTESA-N 1 3 317.433 0.682 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC1CS(=O)(=O)C1 ZINC000849021042 670750467 /nfs/dbraw/zinc/75/04/67/670750467.db2.gz IJBJQOSNBMOEQQ-GFCCVEGCSA-N 1 3 302.444 0.019 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nnnn1CC1CC1 ZINC000849019710 670750585 /nfs/dbraw/zinc/75/05/85/670750585.db2.gz CPLQEKYDZWSHIP-GFCCVEGCSA-N 1 3 306.418 0.181 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849592975 670823537 /nfs/dbraw/zinc/82/35/37/670823537.db2.gz OTXSVWQZFDJGQK-NWANDNLSSA-N 1 3 307.442 0.522 20 0 DCADHO CC[N@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000851655943 671005502 /nfs/dbraw/zinc/00/55/02/671005502.db2.gz DEPWYRKZDXNRRN-UHFFFAOYSA-N 1 3 310.402 0.170 20 0 DCADHO CC[N@@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000851655943 671005504 /nfs/dbraw/zinc/00/55/04/671005504.db2.gz DEPWYRKZDXNRRN-UHFFFAOYSA-N 1 3 310.402 0.170 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CCCCC1 ZINC000851686725 671013820 /nfs/dbraw/zinc/01/38/20/671013820.db2.gz GQIPIABRIINGDT-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(C[C@@H](O)c2ccccn2)CC1 ZINC000851836848 671043594 /nfs/dbraw/zinc/04/35/94/671043594.db2.gz QWXPMUNTMFRJEP-MRXNPFEDSA-N 1 3 320.437 0.505 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)=NO1 ZINC000852860595 671177748 /nfs/dbraw/zinc/17/77/48/671177748.db2.gz SFWLUXOZPFMLEP-LSDHHAIUSA-N 1 3 316.405 0.871 20 0 DCADHO CN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000852884003 671184537 /nfs/dbraw/zinc/18/45/37/671184537.db2.gz RRKRZCXNFFKYLA-GJZGRUSLSA-N 1 3 316.405 0.823 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000821051565 671248773 /nfs/dbraw/zinc/24/87/73/671248773.db2.gz DGYNAFCCGQCLMQ-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000821436996 671279467 /nfs/dbraw/zinc/27/94/67/671279467.db2.gz SFTZAUOTFPGPFU-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCCCC1 ZINC000827474141 671529059 /nfs/dbraw/zinc/52/90/59/671529059.db2.gz RRTJNELNYWNNDA-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000828668059 671558256 /nfs/dbraw/zinc/55/82/56/671558256.db2.gz YLFUOWVQKSUANX-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000831127203 671654991 /nfs/dbraw/zinc/65/49/91/671654991.db2.gz GKCGWCOPMJVAKU-CVEARBPZSA-N 1 3 318.421 0.808 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841790312 671955550 /nfs/dbraw/zinc/95/55/50/671955550.db2.gz CUIIRPUUKPCZQN-QLFBSQMISA-N 1 3 308.426 0.386 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000841788189 671955574 /nfs/dbraw/zinc/95/55/74/671955574.db2.gz CUDXROCXJULKJD-KLHDSHLOSA-N 1 3 324.469 0.914 20 0 DCADHO [NH3+][C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000841791015 671956260 /nfs/dbraw/zinc/95/62/60/671956260.db2.gz LLYUBGGYPHVCCE-OWCLPIDISA-N 1 3 318.421 0.849 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000842016356 671974689 /nfs/dbraw/zinc/97/46/89/671974689.db2.gz UJUAVLSWQVIRHO-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843259699 672075903 /nfs/dbraw/zinc/07/59/03/672075903.db2.gz QOKQDBTVAKPSKM-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844180810 672158604 /nfs/dbraw/zinc/15/86/04/672158604.db2.gz TYUIHKBHMVKLDR-TUAOUCFPSA-N 1 3 303.353 0.211 20 0 DCADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037862049 693957839 /nfs/dbraw/zinc/95/78/39/693957839.db2.gz UGWVRZWFAGAGAM-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000954407692 686009830 /nfs/dbraw/zinc/00/98/30/686009830.db2.gz KXMJDMTUEHHWNQ-BPLDGKMQSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000954407692 686009837 /nfs/dbraw/zinc/00/98/37/686009837.db2.gz KXMJDMTUEHHWNQ-BPLDGKMQSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)CN3CCCC3)C2)C1 ZINC000955340993 686373139 /nfs/dbraw/zinc/37/31/39/686373139.db2.gz MVDRNUBIYUKTEY-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CN3CCCC3)C2)C1 ZINC000955340993 686373146 /nfs/dbraw/zinc/37/31/46/686373146.db2.gz MVDRNUBIYUKTEY-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCF)C1 ZINC001038628430 694138191 /nfs/dbraw/zinc/13/81/91/694138191.db2.gz QTSMFMBLMUBFAK-UONOGXRCSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)C1 ZINC001038628430 694138192 /nfs/dbraw/zinc/13/81/92/694138192.db2.gz QTSMFMBLMUBFAK-UONOGXRCSA-N 1 3 301.406 0.646 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC000960137873 688309037 /nfs/dbraw/zinc/30/90/37/688309037.db2.gz WOMLQKPYFBNUCV-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1cncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960574195 688413836 /nfs/dbraw/zinc/41/38/36/688413836.db2.gz ASAJLHQPTWGCRR-XUWVNRHRSA-N 1 3 317.437 0.451 20 0 DCADHO Cn1cncc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960574195 688413839 /nfs/dbraw/zinc/41/38/39/688413839.db2.gz ASAJLHQPTWGCRR-XUWVNRHRSA-N 1 3 317.437 0.451 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CC[N@@H+](CCO)C2)C1 ZINC000961232289 688577341 /nfs/dbraw/zinc/57/73/41/688577341.db2.gz PIMZHJOLKCYAAE-ZIAGYGMSSA-N 1 3 306.410 0.505 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CC[N@H+](CCO)C2)C1 ZINC000961232289 688577344 /nfs/dbraw/zinc/57/73/44/688577344.db2.gz PIMZHJOLKCYAAE-ZIAGYGMSSA-N 1 3 306.410 0.505 20 0 DCADHO Cc1nccnc1CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962699846 688968320 /nfs/dbraw/zinc/96/83/20/688968320.db2.gz BAZCKFYBJWIBCP-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000962699846 688968323 /nfs/dbraw/zinc/96/83/23/688968323.db2.gz BAZCKFYBJWIBCP-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCOCC2)C1 ZINC001039027262 694278401 /nfs/dbraw/zinc/27/84/01/694278401.db2.gz JIOJYIMRRPQSJG-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCOCC2)C1 ZINC001039027262 694278402 /nfs/dbraw/zinc/27/84/02/694278402.db2.gz JIOJYIMRRPQSJG-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000967839370 690099409 /nfs/dbraw/zinc/09/94/09/690099409.db2.gz HABNHJLPKVBBLP-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000967839370 690099413 /nfs/dbraw/zinc/09/94/13/690099413.db2.gz HABNHJLPKVBBLP-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO COc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)ccn1 ZINC000967925816 690125226 /nfs/dbraw/zinc/12/52/26/690125226.db2.gz RWXNBYVTBMKSDE-CABCVRRESA-N 1 3 318.421 0.875 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000967980359 690141987 /nfs/dbraw/zinc/14/19/87/690141987.db2.gz UJJAMTSGSPOYHD-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000967980359 690141991 /nfs/dbraw/zinc/14/19/91/690141991.db2.gz UJJAMTSGSPOYHD-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCOCC2)C1)C1CC1 ZINC000968912535 690422355 /nfs/dbraw/zinc/42/23/55/690422355.db2.gz JTYODEBKQHPHNG-HZPDHXFCSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC000969066113 690461988 /nfs/dbraw/zinc/46/19/88/690461988.db2.gz JCBCENPBEKWIIS-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](O)CN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008830481 690931843 /nfs/dbraw/zinc/93/18/43/690931843.db2.gz XXSWPPCLDYHVKW-UKRRQHHQSA-N 1 3 323.441 0.020 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)N(C)C ZINC001011321234 691510162 /nfs/dbraw/zinc/51/01/62/691510162.db2.gz HTTIPBFXVJTIKP-ZIAGYGMSSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011644470 691592251 /nfs/dbraw/zinc/59/22/51/691592251.db2.gz KRLWZEQCRHSPCN-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011644470 691592252 /nfs/dbraw/zinc/59/22/52/691592252.db2.gz KRLWZEQCRHSPCN-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CO[C@@H](C)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014475592 692027802 /nfs/dbraw/zinc/02/78/02/692027802.db2.gz XGLAQXIHZOJYFK-KBPBESRZSA-N 1 3 323.441 0.284 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCO)C3)CCC1 ZINC001040242435 694520084 /nfs/dbraw/zinc/52/00/84/694520084.db2.gz XUZIGVCMCOHLSP-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCO)C3)CCC1 ZINC001040242435 694520088 /nfs/dbraw/zinc/52/00/88/694520088.db2.gz XUZIGVCMCOHLSP-INIZCTEOSA-N 1 3 309.454 0.778 20 0 DCADHO CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001016741480 692760660 /nfs/dbraw/zinc/76/06/60/692760660.db2.gz XPJRBMLQJVMVBS-DIODGJHASA-N 1 3 319.449 0.840 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001018835423 693256162 /nfs/dbraw/zinc/25/61/62/693256162.db2.gz HBHMBBNNJHPLRG-HOCLYGCPSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001018835423 693256164 /nfs/dbraw/zinc/25/61/64/693256164.db2.gz HBHMBBNNJHPLRG-HOCLYGCPSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019386070 693457737 /nfs/dbraw/zinc/45/77/37/693457737.db2.gz AQJFUSFGEBLUIP-WFASDCNBSA-N 1 3 301.406 0.382 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC001019469945 693483518 /nfs/dbraw/zinc/48/35/18/693483518.db2.gz VXUMYLOLOIGMDT-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072678000 694651350 /nfs/dbraw/zinc/65/13/50/694651350.db2.gz WYNAAAQWBAYLNA-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072815071 694669561 /nfs/dbraw/zinc/66/95/61/694669561.db2.gz RJVYTDFIBYIZMB-DZGCQCFKSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072815071 694669564 /nfs/dbraw/zinc/66/95/64/694669564.db2.gz RJVYTDFIBYIZMB-DZGCQCFKSA-N 1 3 309.454 0.896 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001073183508 694712310 /nfs/dbraw/zinc/71/23/10/694712310.db2.gz ASRDKTIAGDBBPQ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)[C@H]1CCCN1C ZINC001074562888 694907969 /nfs/dbraw/zinc/90/79/69/694907969.db2.gz MXCJXZVGIZYJPN-AEGPPILISA-N 1 3 305.426 0.593 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C ZINC001074877702 694927843 /nfs/dbraw/zinc/92/78/43/694927843.db2.gz HYECIULPXGGRKH-ILXRZTDVSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H]1C ZINC001074877976 694927967 /nfs/dbraw/zinc/92/79/67/694927967.db2.gz UTUBVEWEVFFUKH-YCPHGPKFSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C)C(N)=O ZINC001075128634 694939420 /nfs/dbraw/zinc/93/94/20/694939420.db2.gz PLEPNSAVJSHTHD-RDBSUJKOSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001075154716 694940169 /nfs/dbraw/zinc/94/01/69/694940169.db2.gz BEPRCIZNBWZJAI-OLZOCXBDSA-N 1 3 321.425 0.400 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H](C1CC1)[NH+](C)C)NC(=O)[C@H]1CCCN1C ZINC001076957753 695109342 /nfs/dbraw/zinc/10/93/42/695109342.db2.gz KECSYKNIFUNYFE-NWANDNLSSA-N 1 3 324.469 0.432 20 0 DCADHO COCCC[NH+]1CCC(CO)(NC(=O)CN(C)C(C)C)CC1 ZINC001570499170 1162531871 /nfs/dbraw/zinc/53/18/71/1162531871.db2.gz GUOLECCUNNGGQW-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CCn2cncn2)C2CC2)CCC1 ZINC001670481440 1157449667 /nfs/dbraw/zinc/44/96/67/1157449667.db2.gz YCAGUIKGAYCSCY-AWEZNQCLSA-N 1 3 320.441 0.247 20 0 DCADHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC001772534904 1157524150 /nfs/dbraw/zinc/52/41/50/1157524150.db2.gz LJNFIJOSNCRTBS-BBWFWOEESA-N 1 3 309.454 0.409 20 0 DCADHO CC[NH2+]CCN(CCO)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001754891741 1157884607 /nfs/dbraw/zinc/88/46/07/1157884607.db2.gz WLWJZDHDKSBSNX-OAHLLOKOSA-N 1 3 303.422 0.629 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1cnn(C)c1 ZINC001671373933 1157960232 /nfs/dbraw/zinc/96/02/32/1157960232.db2.gz STEWWPNYDIVLGU-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO [NH3+]CCc1cnc2c(C(=O)NCCN3CCCC3)cnn2c1 ZINC001648962749 1158189484 /nfs/dbraw/zinc/18/94/84/1158189484.db2.gz XWLNMPPXHDIMGG-UHFFFAOYSA-N 1 3 302.382 0.056 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001648964985 1158191977 /nfs/dbraw/zinc/19/19/77/1158191977.db2.gz WXVCTDUSXUQEHB-GDBMZVCRSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H](O)C[NH3+])c2)CC1 ZINC001648995424 1158361572 /nfs/dbraw/zinc/36/15/72/1158361572.db2.gz BSMFXKKIUUUWCV-INIZCTEOSA-N 1 3 320.437 0.865 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001649001982 1158369888 /nfs/dbraw/zinc/36/98/88/1158369888.db2.gz UUPKOMBOEGJHQP-NUEKZKHPSA-N 1 3 306.454 0.365 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001649001982 1158369896 /nfs/dbraw/zinc/36/98/96/1158369896.db2.gz UUPKOMBOEGJHQP-NUEKZKHPSA-N 1 3 306.454 0.365 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001077440292 1158431446 /nfs/dbraw/zinc/43/14/46/1158431446.db2.gz IQPXVSGAXAOWTG-OAGGEKHMSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001077440292 1158431447 /nfs/dbraw/zinc/43/14/47/1158431447.db2.gz IQPXVSGAXAOWTG-OAGGEKHMSA-N 1 3 309.454 0.678 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC000353446539 1159097360 /nfs/dbraw/zinc/09/73/60/1159097360.db2.gz KFJWRKMZUFGSBO-OIISXLGYSA-N 1 3 322.497 0.764 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001439040464 1159278558 /nfs/dbraw/zinc/27/85/58/1159278558.db2.gz AONVXKVDUSXNPM-OLZOCXBDSA-N 1 3 324.425 0.142 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001445972262 1159326490 /nfs/dbraw/zinc/32/64/90/1159326490.db2.gz WWOZTJPGNFVNNZ-AAEUAGOBSA-N 1 3 310.442 0.090 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001446461002 1159427103 /nfs/dbraw/zinc/42/71/03/1159427103.db2.gz LFRWYBCSCRQBRS-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001447347438 1159624726 /nfs/dbraw/zinc/62/47/26/1159624726.db2.gz UFAPTPHOOMQFGR-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCN(C)[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001447347438 1159624729 /nfs/dbraw/zinc/62/47/29/1159624729.db2.gz UFAPTPHOOMQFGR-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+](CC)[C@@H]1CCCNC1=O)N(C)C ZINC001566555715 1160061468 /nfs/dbraw/zinc/06/14/68/1160061468.db2.gz URPUBVZRKQGZGG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+](CC)[C@@H]1CCCNC1=O)N(C)C ZINC001566555715 1160061476 /nfs/dbraw/zinc/06/14/76/1160061476.db2.gz URPUBVZRKQGZGG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001567593726 1160435030 /nfs/dbraw/zinc/43/50/30/1160435030.db2.gz QZGDLVCOJBQBGY-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001568849873 1160816089 /nfs/dbraw/zinc/81/60/89/1160816089.db2.gz BJQHFZUWXLAMTK-BEVHLOIGSA-N 1 3 310.442 0.385 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001568849873 1160816099 /nfs/dbraw/zinc/81/60/99/1160816099.db2.gz BJQHFZUWXLAMTK-BEVHLOIGSA-N 1 3 310.442 0.385 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CCc2ccnn2C)CCC1 ZINC001568862679 1160825144 /nfs/dbraw/zinc/82/51/44/1160825144.db2.gz MUJGSEHWXMYCLU-SNAWJCMRSA-N 1 3 319.453 0.709 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001569562399 1161149947 /nfs/dbraw/zinc/14/99/47/1161149947.db2.gz MNAXBYCDTMKPQK-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC1(N2CCC2)CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001573622221 1163517279 /nfs/dbraw/zinc/51/72/79/1163517279.db2.gz JOTHRPIIDIBMNH-CQSZACIVSA-N 1 3 315.483 0.876 20 0 DCADHO CC1CC[NH+](CC[C@@H]2CCCN2S(=O)(=O)C2CNC2)CC1 ZINC001573645312 1163521306 /nfs/dbraw/zinc/52/13/06/1163521306.db2.gz BLJPYLHEUBLNFG-AWEZNQCLSA-N 1 3 315.483 0.874 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NCc2cn[nH]n2)CCCC1)[NH+](C)C ZINC001575328516 1163976090 /nfs/dbraw/zinc/97/60/90/1163976090.db2.gz PSPKAAVJMZVVHY-AWEZNQCLSA-N 1 3 322.457 0.910 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cn[nH]n2)C1 ZINC001575420061 1164009214 /nfs/dbraw/zinc/00/92/14/1164009214.db2.gz HQCXCZQVLHQRAN-YUELXQCFSA-N 1 3 320.441 0.614 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cn[nH]n2)C1 ZINC001575420061 1164009219 /nfs/dbraw/zinc/00/92/19/1164009219.db2.gz HQCXCZQVLHQRAN-YUELXQCFSA-N 1 3 320.441 0.614 20 0 DCADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](O)C[NH3+])N(C)C)cc1 ZINC001575807070 1164159616 /nfs/dbraw/zinc/15/96/16/1164159616.db2.gz HCOQZSVENSLLLB-GJZGRUSLSA-N 1 3 309.410 0.512 20 0 DCADHO C[C@H](CC(=O)N1CCN(CCN(C)C)C(=O)C1)[C@H]1CCC[NH2+]C1 ZINC001575920107 1164184846 /nfs/dbraw/zinc/18/48/46/1164184846.db2.gz CDRBAAWYTQNMMK-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CC(=O)N[C@H](CO)CN1CCCCC1)C1CC[NH2+]CC1 ZINC001575924300 1164187046 /nfs/dbraw/zinc/18/70/46/1164187046.db2.gz WNOQGYJZVJQARK-HOCLYGCPSA-N 1 3 311.470 0.975 20 0 DCADHO CCN(CCNCc1c[nH]nn1)C(=O)CC[NH+]1CCCCC1 ZINC001576541811 1164384579 /nfs/dbraw/zinc/38/45/79/1164384579.db2.gz FQNHYLLOTPPPJE-UHFFFAOYSA-N 1 3 308.430 0.619 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001576646938 1164422710 /nfs/dbraw/zinc/42/27/10/1164422710.db2.gz BZGYPLHHSSBVNN-AHIWAGSCSA-N 1 3 317.437 0.856 20 0 DCADHO C[C@@H]1NC(=O)N(CCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1=O ZINC001576878475 1164514282 /nfs/dbraw/zinc/51/42/82/1164514282.db2.gz HTMGRSMBZPBGTH-YUTCNCBUSA-N 1 3 324.425 0.145 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001577383890 1164681525 /nfs/dbraw/zinc/68/15/25/1164681525.db2.gz VOANODJSUKXQJG-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001577383890 1164681528 /nfs/dbraw/zinc/68/15/28/1164681528.db2.gz VOANODJSUKXQJG-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCCC[C@H](C(=O)OC)N1C[C@H]2C[C@H]([NH3+])C[C@@]2(C(=O)OC)C1 ZINC001577388490 1164682491 /nfs/dbraw/zinc/68/24/91/1164682491.db2.gz ZHUXQPLLEMTJQL-OQMKEHIESA-N 1 3 312.410 0.931 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001577778125 1164790394 /nfs/dbraw/zinc/79/03/94/1164790394.db2.gz GDYWPPPSBBDVKG-JONQDZQNSA-N 1 3 308.470 0.232 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001577778124 1164791422 /nfs/dbraw/zinc/79/14/22/1164791422.db2.gz GDYWPPPSBBDVKG-CAOSSQGBSA-N 1 3 308.470 0.232 20 0 DCADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)NC[C@H]1CC[NH2+]1 ZINC001578412455 1165004896 /nfs/dbraw/zinc/00/48/96/1165004896.db2.gz MURAIHKNRJUPRC-ZIAGYGMSSA-N 1 3 310.442 0.633 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001578418589 1165008854 /nfs/dbraw/zinc/00/88/54/1165008854.db2.gz CAKVJQNTEMRDGF-CQSZACIVSA-N 1 3 307.442 0.954 20 0 DCADHO CN(CCCN1C(=O)c2ccccc2C1=O)C[C@](C)(O)C[NH3+] ZINC001578468069 1165025070 /nfs/dbraw/zinc/02/50/70/1165025070.db2.gz BZWRZTNEXVOPDO-MRXNPFEDSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@](C)(O)CN ZINC001578468069 1165025076 /nfs/dbraw/zinc/02/50/76/1165025076.db2.gz BZWRZTNEXVOPDO-MRXNPFEDSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@](C)(O)CN ZINC001578468069 1165025081 /nfs/dbraw/zinc/02/50/81/1165025081.db2.gz BZWRZTNEXVOPDO-MRXNPFEDSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)C1 ZINC001578526012 1165043944 /nfs/dbraw/zinc/04/39/44/1165043944.db2.gz WXGCWRJYTQMQIH-PBHICJAKSA-N 1 3 316.405 0.221 20 0 DCADHO C[N@H+]1CC[C@](O)(CNC(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)C1 ZINC001578526012 1165043949 /nfs/dbraw/zinc/04/39/49/1165043949.db2.gz WXGCWRJYTQMQIH-PBHICJAKSA-N 1 3 316.405 0.221 20 0 DCADHO CN1CCC[C@H](NC(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)C1 ZINC001578529108 1165047731 /nfs/dbraw/zinc/04/77/31/1165047731.db2.gz PXOWAKSIQVGMCE-KBPBESRZSA-N 1 3 316.405 0.723 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001578533785 1165050288 /nfs/dbraw/zinc/05/02/88/1165050288.db2.gz YHECDVMSFRNQIA-MRXNPFEDSA-N 1 3 322.497 0.862 20 0 DCADHO CNC(=O)C1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC001578548280 1165055300 /nfs/dbraw/zinc/05/53/00/1165055300.db2.gz JULONRGLLRDBOH-UHFFFAOYSA-N 1 3 306.410 0.647 20 0 DCADHO COCCCN(C(=O)[C@H](N)CC(F)F)C1CC[NH+](C)CC1 ZINC001579014105 1165187917 /nfs/dbraw/zinc/18/79/17/1165187917.db2.gz ISKSJXSFOHCEQG-GFCCVEGCSA-N 1 3 307.385 0.928 20 0 DCADHO COCCN(C)CCn1c(C(C)C)nnc1N1CC[NH2+][C@H](C)C1 ZINC001579022515 1165189367 /nfs/dbraw/zinc/18/93/67/1165189367.db2.gz YJESZEMAOGAERI-CQSZACIVSA-N 1 3 324.473 0.778 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001579345742 1165280463 /nfs/dbraw/zinc/28/04/63/1165280463.db2.gz DQALRRIGISSNCQ-AWEZNQCLSA-N 1 3 323.462 0.703 20 0 DCADHO NCc1cn([C@H]2CCC[N@H+](C[C@@H](O)CC3(O)CCCC3)C2)nn1 ZINC001580349051 1165578195 /nfs/dbraw/zinc/57/81/95/1165578195.db2.gz GGBSDGWMPNVLBE-GJZGRUSLSA-N 1 3 323.441 0.430 20 0 DCADHO NCc1cn([C@H]2CCC[N@@H+](C[C@@H](O)CC3(O)CCCC3)C2)nn1 ZINC001580349051 1165578205 /nfs/dbraw/zinc/57/82/05/1165578205.db2.gz GGBSDGWMPNVLBE-GJZGRUSLSA-N 1 3 323.441 0.430 20 0 DCADHO Nc1nnc([C@@H]2CCCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)o1 ZINC001580473077 1165614539 /nfs/dbraw/zinc/61/45/39/1165614539.db2.gz MKIAZARJTFOWCV-LALPHHSUSA-N 1 3 307.398 0.600 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001583448345 1166255917 /nfs/dbraw/zinc/25/59/17/1166255917.db2.gz LYEWLZBAVLKPFF-WLBISTCBSA-N 1 3 324.469 0.600 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001583448345 1166255924 /nfs/dbraw/zinc/25/59/24/1166255924.db2.gz LYEWLZBAVLKPFF-WLBISTCBSA-N 1 3 324.469 0.600 20 0 DCADHO CO[C@@H]1CN(C)[C@@](C)(COC(=O)COC2CC[NH+](C)CC2)C1 ZINC001649242677 1171612188 /nfs/dbraw/zinc/61/21/88/1171612188.db2.gz WJRYJOFUQOTFGE-GOEBONIOSA-N 1 3 314.426 0.750 20 0 DCADHO O=C(N1CCOC2(CNC2)C1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001646772773 1172522576 /nfs/dbraw/zinc/52/25/76/1172522576.db2.gz CCJXWGQGOYFEJL-UHFFFAOYSA-N 1 3 307.316 0.119 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)NCCN2CCC([NH3+])CC2)C1(C)C ZINC001646791914 1172535512 /nfs/dbraw/zinc/53/55/12/1172535512.db2.gz ZXSOWPSUAQAJME-CJNGLKHVSA-N 1 3 312.458 0.058 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(N3CCOC3=O)CC2)C1 ZINC001647286044 1172785646 /nfs/dbraw/zinc/78/56/46/1172785646.db2.gz MTIHNDQIOFLCJU-CYBMUJFWSA-N 1 3 324.425 0.100 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]([NH3+])C3CCCCC3)C2)nn1 ZINC001649856606 1173263789 /nfs/dbraw/zinc/26/37/89/1173263789.db2.gz YYXHAQQATVPERW-HUUCEWRRSA-N 1 3 320.441 0.808 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001650331835 1173572198 /nfs/dbraw/zinc/57/21/98/1173572198.db2.gz ISZPUKUDNXSWQO-IMJJTQAJSA-N 1 3 305.422 0.594 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001650337979 1173576519 /nfs/dbraw/zinc/57/65/19/1173576519.db2.gz ZNXUATOBXDCKPQ-RFQIPJPRSA-N 1 3 313.442 0.750 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001650337979 1173576522 /nfs/dbraw/zinc/57/65/22/1173576522.db2.gz ZNXUATOBXDCKPQ-RFQIPJPRSA-N 1 3 313.442 0.750 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001650337977 1173576880 /nfs/dbraw/zinc/57/68/80/1173576880.db2.gz ZNXUATOBXDCKPQ-AAVRWANBSA-N 1 3 313.442 0.750 20 0 DCADHO C[C@]1(NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)CC[NH2+]C1 ZINC001650370483 1173598381 /nfs/dbraw/zinc/59/83/81/1173598381.db2.gz PYLDVWKTXUMZDP-LRDDRELGSA-N 1 3 302.378 0.380 20 0 DCADHO C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001650373625 1173600118 /nfs/dbraw/zinc/60/01/18/1173600118.db2.gz CZZQCDJCRCVGIG-HOTGVXAUSA-N 1 3 320.437 0.332 20 0 DCADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001650434572 1173640033 /nfs/dbraw/zinc/64/00/33/1173640033.db2.gz LQGUGUJMJCEEBN-AESZEHBQSA-N 1 3 309.454 0.952 20 0 DCADHO NC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663067586 1174262025 /nfs/dbraw/zinc/26/20/25/1174262025.db2.gz WAUFZEVOPWCJRX-GJZGRUSLSA-N 1 3 322.453 0.174 20 0 DCADHO CCOCCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001663722017 1174344347 /nfs/dbraw/zinc/34/43/47/1174344347.db2.gz AUCICXXMGZZZQM-INIZCTEOSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001666144998 1174589642 /nfs/dbraw/zinc/58/96/42/1174589642.db2.gz BGPYUPCNGANXKV-ZIAGYGMSSA-N 1 3 310.442 0.032 20 0 DCADHO CC1CCN(CC(=O)N2CCC(CC[NH2+]CCO)CC2)CC1 ZINC001666252981 1174595524 /nfs/dbraw/zinc/59/55/24/1174595524.db2.gz QRRWWAJQIAJTAD-UHFFFAOYSA-N 1 3 311.470 0.929 20 0 DCADHO Cc1cnc(CNCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001668278545 1174778147 /nfs/dbraw/zinc/77/81/47/1174778147.db2.gz IIOWCTKIBHNKCI-CYBMUJFWSA-N 1 3 317.437 0.865 20 0 DCADHO CCN(CCNCC(=O)N1CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668640527 1174816051 /nfs/dbraw/zinc/81/60/51/1174816051.db2.gz CTZBDPNRCMKOTD-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNCC(=O)N1CCCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668640527 1174816054 /nfs/dbraw/zinc/81/60/54/1174816054.db2.gz CTZBDPNRCMKOTD-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2CCCCN2C)C1=O ZINC001670143683 1174986085 /nfs/dbraw/zinc/98/60/85/1174986085.db2.gz GOFQCDZWCTUMAN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(C)C1=O ZINC001689953261 1177122921 /nfs/dbraw/zinc/12/29/21/1177122921.db2.gz KSOCXWYMGKHYMZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(CC[NH2+]CC(N)=O)CC2)C1 ZINC001698704070 1177612774 /nfs/dbraw/zinc/61/27/74/1177612774.db2.gz YMFBIPJGCOLBON-ZDUSSCGKSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cncn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001699132921 1177885785 /nfs/dbraw/zinc/88/57/85/1177885785.db2.gz AVTGGKFFNAXXQC-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(N)=O ZINC001699314158 1178057775 /nfs/dbraw/zinc/05/77/75/1178057775.db2.gz LFIHPPYBVZQTKF-NHQLZKDQSA-N 1 3 324.469 0.775 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(N)=O ZINC001699314158 1178057782 /nfs/dbraw/zinc/05/77/82/1178057782.db2.gz LFIHPPYBVZQTKF-NHQLZKDQSA-N 1 3 324.469 0.775 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001699343192 1178087407 /nfs/dbraw/zinc/08/74/07/1178087407.db2.gz ZBZMJCVXFLTWAL-WHJWBVKISA-N 1 3 324.469 0.361 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001699343192 1178087417 /nfs/dbraw/zinc/08/74/17/1178087417.db2.gz ZBZMJCVXFLTWAL-WHJWBVKISA-N 1 3 324.469 0.361 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001699766990 1178280926 /nfs/dbraw/zinc/28/09/26/1178280926.db2.gz KKEZAPBUTTWJOH-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(O)(CNCCF)CC1 ZINC001700300985 1178572228 /nfs/dbraw/zinc/57/22/28/1178572228.db2.gz GPAGQNLSIDGXDS-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(O)(CNCCF)CC1 ZINC001700300985 1178572231 /nfs/dbraw/zinc/57/22/31/1178572231.db2.gz GPAGQNLSIDGXDS-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO COCCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001700846652 1178776796 /nfs/dbraw/zinc/77/67/96/1178776796.db2.gz IHQBPZCWYRSAKI-TZMCWYRMSA-N 1 3 310.398 0.194 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCNC1=O ZINC001713013350 1180625888 /nfs/dbraw/zinc/62/58/88/1180625888.db2.gz UJKBJQBQRPBKCD-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCO ZINC001713334530 1180772304 /nfs/dbraw/zinc/77/23/04/1180772304.db2.gz BMJOYHFQNGNPLT-DOMZBBRYSA-N 1 3 303.422 0.676 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713592005 1180949700 /nfs/dbraw/zinc/94/97/00/1180949700.db2.gz GCISHDDWYGSNAJ-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC[NH2+]C[C@H](O)C1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001713639283 1180985681 /nfs/dbraw/zinc/98/56/81/1180985681.db2.gz YXMBZTPXRXRWJZ-HNNXBMFYSA-N 1 3 308.426 0.941 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001714085275 1181237918 /nfs/dbraw/zinc/23/79/18/1181237918.db2.gz SYMGDDHPEGZGBU-AWEZNQCLSA-N 1 3 316.409 0.677 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001714136689 1181258271 /nfs/dbraw/zinc/25/82/71/1181258271.db2.gz NPNBBNNXEGOKMT-CQSZACIVSA-N 1 3 317.397 0.215 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN(C)C1CCC1 ZINC001714657015 1181464945 /nfs/dbraw/zinc/46/49/45/1181464945.db2.gz OMFBDXSMFGYMIY-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715589554 1181878974 /nfs/dbraw/zinc/87/89/74/1181878974.db2.gz ZGHAIEKAYJYGSF-HIFRSBDPSA-N 1 3 315.433 0.677 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001715589554 1181878981 /nfs/dbraw/zinc/87/89/81/1181878981.db2.gz ZGHAIEKAYJYGSF-HIFRSBDPSA-N 1 3 315.433 0.677 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCF ZINC001715607142 1181893967 /nfs/dbraw/zinc/89/39/67/1181893967.db2.gz XWKDYZOMTPABGI-UONOGXRCSA-N 1 3 303.422 0.676 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001716003956 1182140270 /nfs/dbraw/zinc/14/02/70/1182140270.db2.gz KJSLGEBYFDXNII-NSHDSACASA-N 1 3 304.398 0.331 20 0 DCADHO CCN(C)C(=O)CNC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716344387 1182348482 /nfs/dbraw/zinc/34/84/82/1182348482.db2.gz VEFUSHBGYHOSJB-VBROQKIQSA-N 1 3 310.442 0.069 20 0 DCADHO CCN(C)C(=O)CNC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001716344387 1182348487 /nfs/dbraw/zinc/34/84/87/1182348487.db2.gz VEFUSHBGYHOSJB-VBROQKIQSA-N 1 3 310.442 0.069 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC001716420509 1182384265 /nfs/dbraw/zinc/38/42/65/1182384265.db2.gz RUQGGUBJSVVKPT-IUODEOHRSA-N 1 3 324.473 0.575 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001717110859 1182680814 /nfs/dbraw/zinc/68/08/14/1182680814.db2.gz JNLIUMOOCQDSDJ-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001720283666 1183548404 /nfs/dbraw/zinc/54/84/04/1183548404.db2.gz VOSAYDPIXZXHAT-OAHLLOKOSA-N 1 3 324.469 0.293 20 0 DCADHO CCn1ccc(CNCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001723194999 1184274735 /nfs/dbraw/zinc/27/47/35/1184274735.db2.gz VBBJIOHOIMIUIR-CQSZACIVSA-N 1 3 307.442 0.793 20 0 DCADHO CCn1ccc(CNCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001723194999 1184274740 /nfs/dbraw/zinc/27/47/40/1184274740.db2.gz VBBJIOHOIMIUIR-CQSZACIVSA-N 1 3 307.442 0.793 20 0 DCADHO CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724400370 1184429694 /nfs/dbraw/zinc/42/96/94/1184429694.db2.gz XNKNTCFARNIQHN-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001724400370 1184429697 /nfs/dbraw/zinc/42/96/97/1184429697.db2.gz XNKNTCFARNIQHN-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCOCC2CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001725597336 1184904427 /nfs/dbraw/zinc/90/44/27/1184904427.db2.gz HXGDJWLLYMUCGR-SWLSCSKDSA-N 1 3 306.410 0.958 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001725608471 1184910842 /nfs/dbraw/zinc/91/08/42/1184910842.db2.gz SOQGILXXUHECOG-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001731493311 1185359073 /nfs/dbraw/zinc/35/90/73/1185359073.db2.gz QDJGSXXNKUTEML-TUVASFSCSA-N 1 3 313.442 0.105 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC1CC1 ZINC001731911178 1185566950 /nfs/dbraw/zinc/56/69/50/1185566950.db2.gz IAQKGYNIQMWDFJ-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC1CC1 ZINC001731911178 1185566960 /nfs/dbraw/zinc/56/69/60/1185566960.db2.gz IAQKGYNIQMWDFJ-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731911216 1185567153 /nfs/dbraw/zinc/56/71/53/1185567153.db2.gz QBZKQKKIOYULKZ-OAHLLOKOSA-N 1 3 305.426 0.310 20 0 DCADHO CCN(CC[NH2+]CCc1ccnn1C)C(=O)CN1CC[C@H](C)C1 ZINC001732798042 1185973677 /nfs/dbraw/zinc/97/36/77/1185973677.db2.gz PCEYETYICVBWNI-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H](CNCCF)C1 ZINC001733739413 1186424388 /nfs/dbraw/zinc/42/43/88/1186424388.db2.gz MCPFQCQIFXRLJJ-KGLIPLIRSA-N 1 3 301.406 0.647 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H](CNCCF)C1 ZINC001733739413 1186424391 /nfs/dbraw/zinc/42/43/91/1186424391.db2.gz MCPFQCQIFXRLJJ-KGLIPLIRSA-N 1 3 301.406 0.647 20 0 DCADHO COCCCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001733825300 1186464393 /nfs/dbraw/zinc/46/43/93/1186464393.db2.gz LICNHNFPZNWOHY-INIZCTEOSA-N 1 3 324.425 0.322 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001736809866 1187117395 /nfs/dbraw/zinc/11/73/95/1187117395.db2.gz XDWFHJWKAMUGIH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001736809866 1187117396 /nfs/dbraw/zinc/11/73/96/1187117396.db2.gz XDWFHJWKAMUGIH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001742878069 1188070773 /nfs/dbraw/zinc/07/07/73/1188070773.db2.gz GREJGCXIDJQQAU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001742878069 1188070778 /nfs/dbraw/zinc/07/07/78/1188070778.db2.gz GREJGCXIDJQQAU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)C(N)=O ZINC001752204228 1188402444 /nfs/dbraw/zinc/40/24/44/1188402444.db2.gz FZAZRQCSUIPNIH-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)C1CC[NH+](C)CC1 ZINC001753995579 1188706004 /nfs/dbraw/zinc/70/60/04/1188706004.db2.gz QLCAADIGBBNSFI-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)C1=O ZINC001754398520 1188845031 /nfs/dbraw/zinc/84/50/31/1188845031.db2.gz NUYNOFPVMPOHQP-CYBMUJFWSA-N 1 3 307.398 0.011 20 0 DCADHO COCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001755434092 1189111014 /nfs/dbraw/zinc/11/10/14/1189111014.db2.gz NRUSLTNXFVWDDU-ZSOGYDGISA-N 1 3 306.410 0.591 20 0 DCADHO COCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001755434092 1189111018 /nfs/dbraw/zinc/11/10/18/1189111018.db2.gz NRUSLTNXFVWDDU-ZSOGYDGISA-N 1 3 306.410 0.591 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001758031282 1189688080 /nfs/dbraw/zinc/68/80/80/1189688080.db2.gz IRWYZJAFZYRVRF-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001759663211 1190255942 /nfs/dbraw/zinc/25/59/42/1190255942.db2.gz VQECOBULWFNDHE-NPQIQWPPSA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC/C=C/CNC(=O)[C@@H]1CCCN1C ZINC001759663211 1190255944 /nfs/dbraw/zinc/25/59/44/1190255944.db2.gz VQECOBULWFNDHE-NPQIQWPPSA-N 1 3 324.469 0.600 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1[NH2+]CC12CCOCC2 ZINC001772226393 1190635807 /nfs/dbraw/zinc/63/58/07/1190635807.db2.gz MPRYEAQJNZZYAA-AWEZNQCLSA-N 1 3 302.378 0.434 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc2c(c1)OCCNC2 ZINC001772230470 1190637405 /nfs/dbraw/zinc/63/74/05/1190637405.db2.gz DSUPMNXJNMPQKT-CQSZACIVSA-N 1 3 305.378 0.277 20 0 DCADHO O=C(N[C@@H]1COC2(CNC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC001772252891 1190644149 /nfs/dbraw/zinc/64/41/49/1190644149.db2.gz QXYSUHLEVQUPKO-NSHDSACASA-N 1 3 322.434 0.471 20 0 DCADHO [NH3+]CCCn1ccc(C(=O)Nc2ccc3c(c2)OCCNC3)n1 ZINC001772256393 1190645300 /nfs/dbraw/zinc/64/53/00/1190645300.db2.gz FTHKDDYOJNMKHG-UHFFFAOYSA-N 1 3 315.377 0.966 20 0 DCADHO CN(Cc1ccc(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)nc1)C1CC1 ZINC001164401606 718853742 /nfs/dbraw/zinc/85/37/42/718853742.db2.gz CJJHHSMDYLGDCP-WMLDXEAASA-N 1 3 302.422 0.694 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466484 751406622 /nfs/dbraw/zinc/40/66/22/751406622.db2.gz MMCCGRXMUFIWFF-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475145 751412195 /nfs/dbraw/zinc/41/21/95/751412195.db2.gz ROGUPQIPQLTUGL-UKRRQHHQSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001107040496 751786378 /nfs/dbraw/zinc/78/63/78/751786378.db2.gz GXKWVQPJICSXCD-HUUCEWRRSA-N 1 3 315.458 0.020 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001210789692 747131061 /nfs/dbraw/zinc/13/10/61/747131061.db2.gz QQWOILRTPLPXTJ-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001210789692 747131069 /nfs/dbraw/zinc/13/10/69/747131069.db2.gz QQWOILRTPLPXTJ-AWEZNQCLSA-N 1 3 322.457 0.926 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCCO ZINC001104292029 747131195 /nfs/dbraw/zinc/13/11/95/747131195.db2.gz GSFONRPPBAKZFB-FVQBIDKESA-N 1 3 311.470 0.783 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2cncn2C)C1 ZINC001100769380 747899984 /nfs/dbraw/zinc/89/99/84/747899984.db2.gz HPCHESUVQNOVEO-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327157 748138228 /nfs/dbraw/zinc/13/82/28/748138228.db2.gz UKUWOSAYVVRBMV-CYBMUJFWSA-N 1 3 320.441 0.503 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327157 748138231 /nfs/dbraw/zinc/13/82/31/748138231.db2.gz UKUWOSAYVVRBMV-CYBMUJFWSA-N 1 3 320.441 0.503 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001088369542 749402214 /nfs/dbraw/zinc/40/22/14/749402214.db2.gz MGRKRPYOVIPIBS-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001088369542 749402215 /nfs/dbraw/zinc/40/22/15/749402215.db2.gz MGRKRPYOVIPIBS-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001168335692 749921968 /nfs/dbraw/zinc/92/19/68/749921968.db2.gz QFLXKJRYUZIHBU-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)C1 ZINC001083518900 750088124 /nfs/dbraw/zinc/08/81/24/750088124.db2.gz VYLBOOLFUSHNQQ-ZACQAIPSSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)C1 ZINC001083518900 750088128 /nfs/dbraw/zinc/08/81/28/750088128.db2.gz VYLBOOLFUSHNQQ-ZACQAIPSSA-N 1 3 323.481 0.926 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254632 750929078 /nfs/dbraw/zinc/92/90/78/750929078.db2.gz GBSNQSNRRYYOIM-UONOGXRCSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254632 750929081 /nfs/dbraw/zinc/92/90/81/750929081.db2.gz GBSNQSNRRYYOIM-UONOGXRCSA-N 1 3 305.426 0.500 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255334 750936474 /nfs/dbraw/zinc/93/64/74/750936474.db2.gz IQNIKNFFCYAFLT-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255334 750936477 /nfs/dbraw/zinc/93/64/77/750936477.db2.gz IQNIKNFFCYAFLT-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106255334 751067985 /nfs/dbraw/zinc/06/79/85/751067985.db2.gz NHVUXMQDPZQOLN-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO Cn1cc(CNCCNC(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001127317642 751096352 /nfs/dbraw/zinc/09/63/52/751096352.db2.gz VLIWQCDCDWOIDY-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127338711 751143910 /nfs/dbraw/zinc/14/39/10/751143910.db2.gz HDJQBTBOQDMUFS-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127338711 751143912 /nfs/dbraw/zinc/14/39/12/751143912.db2.gz HDJQBTBOQDMUFS-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106453345 751153269 /nfs/dbraw/zinc/15/32/69/751153269.db2.gz KGOAUXGEIKFHQW-HCBPCCMXSA-N 1 3 321.465 0.944 20 0 DCADHO CN(CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1)C1CCC1 ZINC001099263014 751265395 /nfs/dbraw/zinc/26/53/95/751265395.db2.gz NQKWPBGVLRKENA-VXGBXAGGSA-N 1 3 323.359 0.442 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106779605 751274913 /nfs/dbraw/zinc/27/49/13/751274913.db2.gz SILWSMYUJZFNCM-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC001203460699 752675029 /nfs/dbraw/zinc/67/50/29/752675029.db2.gz VTHQZFWDMSIGRU-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001203460686 752675297 /nfs/dbraw/zinc/67/52/97/752675297.db2.gz VIYXTWJLPVTSRK-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751115 752858947 /nfs/dbraw/zinc/85/89/47/752858947.db2.gz QODARBNXJSDCEN-OLZOCXBDSA-N 1 3 316.409 0.855 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCCC1 ZINC001044858955 752906190 /nfs/dbraw/zinc/90/61/90/752906190.db2.gz XYRZBHPFZSSMRL-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001044960125 752960560 /nfs/dbraw/zinc/96/05/60/752960560.db2.gz WFLJSDYKBAXTTG-HOTGVXAUSA-N 1 3 319.453 0.903 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001045043584 753019130 /nfs/dbraw/zinc/01/91/30/753019130.db2.gz HZVHOHHNBXCJMJ-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cnn(C)c2)CC[N@H+]1C ZINC001045043584 753019131 /nfs/dbraw/zinc/01/91/31/753019131.db2.gz HZVHOHHNBXCJMJ-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C)C1CC1 ZINC001045067501 753030952 /nfs/dbraw/zinc/03/09/52/753030952.db2.gz NPRDMAASMIWGHA-GOEBONIOSA-N 1 3 319.453 0.841 20 0 DCADHO CN1CC[C@H](NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001045182492 753079288 /nfs/dbraw/zinc/07/92/88/753079288.db2.gz UTBHJXQTPVWYGQ-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CNCc1ccnn1C ZINC001045201222 753089061 /nfs/dbraw/zinc/08/90/61/753089061.db2.gz YDMLGOQNNFBWQV-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CNCc1ccnn1C ZINC001045201222 753089063 /nfs/dbraw/zinc/08/90/63/753089063.db2.gz YDMLGOQNNFBWQV-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C ZINC001045201222 753089067 /nfs/dbraw/zinc/08/90/67/753089067.db2.gz YDMLGOQNNFBWQV-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001078197271 753102734 /nfs/dbraw/zinc/10/27/34/753102734.db2.gz BAVVLKQQDJLGRO-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO C[C@H](O)CN1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326450 753646626 /nfs/dbraw/zinc/64/66/26/753646626.db2.gz NCJUMQSMPSLBFO-XJKSGUPXSA-N 1 3 323.441 0.020 20 0 DCADHO CC(C)[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046489921 753746613 /nfs/dbraw/zinc/74/66/13/753746613.db2.gz CYDIDYDRAFKNBV-HTUOJYHCSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046489921 753746615 /nfs/dbraw/zinc/74/66/15/753746615.db2.gz CYDIDYDRAFKNBV-HTUOJYHCSA-N 1 3 307.438 0.839 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001128553394 754091662 /nfs/dbraw/zinc/09/16/62/754091662.db2.gz WUARMBLTMOYELI-WCQYABFASA-N 1 3 316.421 0.039 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2 ZINC001047189869 754123926 /nfs/dbraw/zinc/12/39/26/754123926.db2.gz GAPKSQJSHODPGL-MJBXVCDLSA-N 1 3 306.410 0.612 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047189869 754123929 /nfs/dbraw/zinc/12/39/29/754123929.db2.gz GAPKSQJSHODPGL-MJBXVCDLSA-N 1 3 306.410 0.612 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1cn(C)nc1C ZINC001128773870 754270102 /nfs/dbraw/zinc/27/01/02/754270102.db2.gz HEOKZFKGZGZPJG-HNNXBMFYSA-N 1 3 307.442 0.809 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCc1cn(C)nc1C ZINC001128773870 754270107 /nfs/dbraw/zinc/27/01/07/754270107.db2.gz HEOKZFKGZGZPJG-HNNXBMFYSA-N 1 3 307.442 0.809 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N(C)C(C)C ZINC001168755295 754410634 /nfs/dbraw/zinc/41/06/34/754410634.db2.gz MGWMCRCLCQAHQJ-UHFFFAOYSA-N 1 3 300.447 0.291 20 0 DCADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066971 754598748 /nfs/dbraw/zinc/59/87/48/754598748.db2.gz QMIGXRSTDXLIJT-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829686 754964944 /nfs/dbraw/zinc/96/49/44/754964944.db2.gz YTZBONXPWSEHSF-QXSJWSMHSA-N 1 3 307.438 0.650 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829686 754964948 /nfs/dbraw/zinc/96/49/48/754964948.db2.gz YTZBONXPWSEHSF-QXSJWSMHSA-N 1 3 307.438 0.650 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875626 754991190 /nfs/dbraw/zinc/99/11/90/754991190.db2.gz FLSQTIZRNALXMA-WCVJEAGWSA-N 1 3 311.470 0.998 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001048875626 754991195 /nfs/dbraw/zinc/99/11/95/754991195.db2.gz FLSQTIZRNALXMA-WCVJEAGWSA-N 1 3 311.470 0.998 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001048888658 754999775 /nfs/dbraw/zinc/99/97/75/754999775.db2.gz TUFQAVRNKBEISX-LVQVYYBASA-N 1 3 309.454 0.753 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001048888658 754999778 /nfs/dbraw/zinc/99/97/78/754999778.db2.gz TUFQAVRNKBEISX-LVQVYYBASA-N 1 3 309.454 0.753 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]3C2)C1 ZINC001049058964 755095437 /nfs/dbraw/zinc/09/54/37/755095437.db2.gz KUGCSYHJDWDIGO-VQHPVUNQSA-N 1 3 321.465 0.755 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3C2)C1 ZINC001049058964 755095441 /nfs/dbraw/zinc/09/54/41/755095441.db2.gz KUGCSYHJDWDIGO-VQHPVUNQSA-N 1 3 321.465 0.755 20 0 DCADHO Cn1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@@H]3C2)cn1 ZINC001049213405 755184215 /nfs/dbraw/zinc/18/42/15/755184215.db2.gz OUWHHCRJQBWCBT-OAGGEKHMSA-N 1 3 317.437 0.262 20 0 DCADHO Cn1cc(CN2C[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@@H]3C2)cn1 ZINC001049213405 755184217 /nfs/dbraw/zinc/18/42/17/755184217.db2.gz OUWHHCRJQBWCBT-OAGGEKHMSA-N 1 3 317.437 0.262 20 0 DCADHO CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160860 756117555 /nfs/dbraw/zinc/11/75/55/756117555.db2.gz AYWGBNARZPKRSR-QVCPJDEESA-N 1 3 307.438 0.696 20 0 DCADHO CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001080160860 756117558 /nfs/dbraw/zinc/11/75/58/756117558.db2.gz AYWGBNARZPKRSR-QVCPJDEESA-N 1 3 307.438 0.696 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001054296425 756426326 /nfs/dbraw/zinc/42/63/26/756426326.db2.gz BZQKHJMAICZUMQ-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001054298379 756427885 /nfs/dbraw/zinc/42/78/85/756427885.db2.gz BPGRLOAGHAGOCK-MCIONIFRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054736153 756621035 /nfs/dbraw/zinc/62/10/35/756621035.db2.gz JBTXZCYOZDIGBH-XJKSGUPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001054738333 756621822 /nfs/dbraw/zinc/62/18/22/756621822.db2.gz OZJSKAJGLVSCKZ-XJKSGUPXSA-N 1 3 319.453 0.841 20 0 DCADHO CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959271 756879179 /nfs/dbraw/zinc/87/91/79/756879179.db2.gz BIVDMJOSECCXQN-QJNCVLDKSA-N 1 3 323.437 0.073 20 0 DCADHO CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959271 756879188 /nfs/dbraw/zinc/87/91/88/756879188.db2.gz BIVDMJOSECCXQN-QJNCVLDKSA-N 1 3 323.437 0.073 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082448661 757136400 /nfs/dbraw/zinc/13/64/00/757136400.db2.gz YLAOQKAYDWMEOC-YUELXQCFSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cncn1C ZINC001082559895 757187014 /nfs/dbraw/zinc/18/70/14/757187014.db2.gz RWCOGOPVDWPEST-WQVCFCJDSA-N 1 3 319.453 0.697 20 0 DCADHO CCN1C[C@H]2OCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1 ZINC001083132367 757509157 /nfs/dbraw/zinc/50/91/57/757509157.db2.gz RUASQQOYPIDRCX-LSDHHAIUSA-N 1 3 300.362 0.879 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050546316 757825063 /nfs/dbraw/zinc/82/50/63/757825063.db2.gz NJIHUEVMBORWFX-UKRRQHHQSA-N 1 3 309.454 0.632 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCO)CC2)N(C)C ZINC001050553832 757832213 /nfs/dbraw/zinc/83/22/13/757832213.db2.gz LTARBKWKTHFRGA-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900563 767880082 /nfs/dbraw/zinc/88/00/82/767880082.db2.gz QDRJYMVAGVPVIT-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900563 767880089 /nfs/dbraw/zinc/88/00/89/767880089.db2.gz QDRJYMVAGVPVIT-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900565 767880272 /nfs/dbraw/zinc/88/02/72/767880272.db2.gz QDRJYMVAGVPVIT-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900565 767880279 /nfs/dbraw/zinc/88/02/79/767880279.db2.gz QDRJYMVAGVPVIT-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1=O ZINC001129327472 759826506 /nfs/dbraw/zinc/82/65/06/759826506.db2.gz ICDAJODFHWPFNZ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1=O ZINC001129327472 759826511 /nfs/dbraw/zinc/82/65/11/759826511.db2.gz ICDAJODFHWPFNZ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000659 767894475 /nfs/dbraw/zinc/89/44/75/767894475.db2.gz UFAYNMUIZDXEJV-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086278038 759943906 /nfs/dbraw/zinc/94/39/06/759943906.db2.gz DYZNFNGANQGOQI-LXTVHRRPSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001066493923 760036890 /nfs/dbraw/zinc/03/68/90/760036890.db2.gz HRPZHVWJEHGXRT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155822230 760181501 /nfs/dbraw/zinc/18/15/01/760181501.db2.gz LIAQSUPMKNULOJ-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO NS(=O)(=O)c1cc(CNCC2=CC[NH2+]CC2)ccc1Cl ZINC001580363068 1165585841 /nfs/dbraw/zinc/58/58/41/1165585841.db2.gz ZJCGGUJQTGZIAM-UHFFFAOYSA-N 1 3 315.826 0.997 20 0 DCADHO Cc1oncc1CNCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530582 760715258 /nfs/dbraw/zinc/71/52/58/760715258.db2.gz DKGTXIXEPOGMLQ-UHFFFAOYSA-N 1 3 324.425 0.690 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001115303773 760896324 /nfs/dbraw/zinc/89/63/24/760896324.db2.gz JPOZMAZINGOEDL-LJIGWXMPSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21 ZINC001115303773 760896337 /nfs/dbraw/zinc/89/63/37/760896337.db2.gz JPOZMAZINGOEDL-LJIGWXMPSA-N 1 3 309.454 0.800 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCN(C3CCC3)C2=O)CCC1 ZINC001129358929 761012819 /nfs/dbraw/zinc/01/28/19/761012819.db2.gz YZRGOXREYHZERS-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C(C)C ZINC001148577787 768019319 /nfs/dbraw/zinc/01/93/19/768019319.db2.gz CXNYRKKPNACPJQ-CQSZACIVSA-N 1 3 314.474 0.679 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N(C)C(C)C ZINC001148577787 768019323 /nfs/dbraw/zinc/01/93/23/768019323.db2.gz CXNYRKKPNACPJQ-CQSZACIVSA-N 1 3 314.474 0.679 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001148642823 768022720 /nfs/dbraw/zinc/02/27/20/768022720.db2.gz OKVAAQGPNAXQPV-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cncn1C ZINC001070655226 761378782 /nfs/dbraw/zinc/37/87/82/761378782.db2.gz AQSVBCOYNVKKFH-FMKPAKJESA-N 1 3 319.453 0.664 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001148844472 768041818 /nfs/dbraw/zinc/04/18/18/768041818.db2.gz MZROSAVZZVCBNG-UHFFFAOYSA-N 1 3 320.441 0.153 20 0 DCADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001148844472 768041823 /nfs/dbraw/zinc/04/18/23/768041823.db2.gz MZROSAVZZVCBNG-UHFFFAOYSA-N 1 3 320.441 0.153 20 0 DCADHO Cn1cc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)cn1 ZINC001109672847 761504667 /nfs/dbraw/zinc/50/46/67/761504667.db2.gz WDEBBLXBEIMXPA-PMPSAXMXSA-N 1 3 319.453 0.636 20 0 DCADHO CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112585915 761703693 /nfs/dbraw/zinc/70/36/93/761703693.db2.gz YZGZFBHNSCWJGW-YOEHRIQHSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCCO[C@H]1CCOC1)C1CC1 ZINC001129444453 762937040 /nfs/dbraw/zinc/93/70/40/762937040.db2.gz SUNQHKCXTZMGKF-LSDHHAIUSA-N 1 3 313.442 0.228 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129448734 762938379 /nfs/dbraw/zinc/93/83/79/762938379.db2.gz DNNBDCACOHMTEE-HNNXBMFYSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC001129443412 762945148 /nfs/dbraw/zinc/94/51/48/762945148.db2.gz JTEFEOCBGMVMMT-CABCVRRESA-N 1 3 313.442 0.228 20 0 DCADHO CN(CC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O)C1CCC1 ZINC001129531648 762953308 /nfs/dbraw/zinc/95/33/08/762953308.db2.gz DDYVSCDNTYXZIK-OAHLLOKOSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O)C1CCC1 ZINC001129531647 762953395 /nfs/dbraw/zinc/95/33/95/762953395.db2.gz DDYVSCDNTYXZIK-HNNXBMFYSA-N 1 3 322.453 0.330 20 0 DCADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001129910145 763040215 /nfs/dbraw/zinc/04/02/15/763040215.db2.gz FUNUDCLDZPDHMH-KFWWJZLASA-N 1 3 322.457 0.760 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C)[NH+](C)C ZINC001129950712 763054983 /nfs/dbraw/zinc/05/49/83/763054983.db2.gz XKJWUOBFENUOCC-OLZOCXBDSA-N 1 3 314.474 0.582 20 0 DCADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009262 763089045 /nfs/dbraw/zinc/08/90/45/763089045.db2.gz FUNUDCLDZPDHMH-ILXRZTDVSA-N 1 3 322.457 0.760 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137111 763144409 /nfs/dbraw/zinc/14/44/09/763144409.db2.gz IZZIYAHNTFLQJN-KGLIPLIRSA-N 1 3 308.430 0.370 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186355 763164587 /nfs/dbraw/zinc/16/45/87/763164587.db2.gz GQYWNAIUJSBFPD-ZFWWWQNUSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186355 763164588 /nfs/dbraw/zinc/16/45/88/763164588.db2.gz GQYWNAIUJSBFPD-ZFWWWQNUSA-N 1 3 305.426 0.643 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccnc(N(C)C)c1)N(C)C ZINC001130197157 763172710 /nfs/dbraw/zinc/17/27/10/763172710.db2.gz DORZPAZEBZHKFU-CQSZACIVSA-N 1 3 307.442 0.694 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOC(C)C)C[C@H]1O ZINC001100066133 763272305 /nfs/dbraw/zinc/27/23/05/763272305.db2.gz CNXJFDSWSUZEDH-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOC(C)C)C[C@H]1O ZINC001100066133 763272311 /nfs/dbraw/zinc/27/23/11/763272311.db2.gz CNXJFDSWSUZEDH-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CCN1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099898464 768122179 /nfs/dbraw/zinc/12/21/79/768122179.db2.gz BXRCKOHZGVVGRP-LSDHHAIUSA-N 1 3 306.410 0.479 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001100683636 763723608 /nfs/dbraw/zinc/72/36/08/763723608.db2.gz LAXXKTGOJYGUQV-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](Nc1ncc(F)c(C2CC[NH2+]CC2)n1)[C@H]1CNCCO1 ZINC001170561392 763821864 /nfs/dbraw/zinc/82/18/64/763821864.db2.gz DWGQCLWHPNQOFP-GXFFZTMASA-N 1 3 309.389 0.872 20 0 DCADHO C[C@H](Nc1cncc(OCC[NH+]2CCCC2)n1)[C@H]1CNCCO1 ZINC001170561937 763825748 /nfs/dbraw/zinc/82/57/48/763825748.db2.gz HJSNYDOEGWEFPH-UONOGXRCSA-N 1 3 321.425 0.740 20 0 DCADHO C[C@H](Nc1nc(Cl)nc2c1CC[NH2+]CC2)[C@H]1CNCCO1 ZINC001170563901 763840619 /nfs/dbraw/zinc/84/06/19/763840619.db2.gz OCYKVISCUBMRSH-JOYOIKCWSA-N 1 3 311.817 0.607 20 0 DCADHO O=C(NCC[NH2+]CCCCCF)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519411 763843233 /nfs/dbraw/zinc/84/32/33/763843233.db2.gz DCIRTXIKOVVINE-NPCAHTBFSA-N 1 3 313.417 0.695 20 0 DCADHO C[C@H](Nc1ccc(CN2CC[NH2+]CC2)cc1)[C@@H]1CNCCO1 ZINC001170566767 763853009 /nfs/dbraw/zinc/85/30/09/763853009.db2.gz HCNBVXLHZBTDKA-YOEHRIQHSA-N 1 3 304.438 0.881 20 0 DCADHO COCCN1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681772 763935309 /nfs/dbraw/zinc/93/53/09/763935309.db2.gz HXRSDPZWSNISSV-ZBFHGGJFSA-N 1 3 313.442 0.276 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CCN(CCCO)C2)O1 ZINC001131682585 763935387 /nfs/dbraw/zinc/93/53/87/763935387.db2.gz QQLIQUDYJNWXHH-GOEBONIOSA-N 1 3 313.442 0.012 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789911 764013242 /nfs/dbraw/zinc/01/32/42/764013242.db2.gz AUXXIBVRCAJICV-HNNXBMFYSA-N 1 3 310.442 0.093 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC2CC2)CCCCC1 ZINC001131798882 764036670 /nfs/dbraw/zinc/03/66/70/764036670.db2.gz BPAJBWLZSCXFLY-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CN1CCC[C@@H](NCCNC(=O)CC2([NH+](C)C)CCCC2)C1=O ZINC001131840333 764057852 /nfs/dbraw/zinc/05/78/52/764057852.db2.gz HOEJAGMOUKPLEP-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001132737431 764614258 /nfs/dbraw/zinc/61/42/58/764614258.db2.gz MBPFCDPWIRRJNN-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001132737431 764614264 /nfs/dbraw/zinc/61/42/64/764614264.db2.gz MBPFCDPWIRRJNN-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001132737784 764614547 /nfs/dbraw/zinc/61/45/47/764614547.db2.gz QBGSQLATELUKSS-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001132737784 764614553 /nfs/dbraw/zinc/61/45/53/764614553.db2.gz QBGSQLATELUKSS-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H]2CN(C(C)C)CCO2)o1 ZINC001132848686 764691192 /nfs/dbraw/zinc/69/11/92/764691192.db2.gz OSTXYEKCBOLMTR-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)o1 ZINC001132848686 764691200 /nfs/dbraw/zinc/69/12/00/764691200.db2.gz OSTXYEKCBOLMTR-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)o1 ZINC001132848686 764691203 /nfs/dbraw/zinc/69/12/03/764691203.db2.gz OSTXYEKCBOLMTR-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)N1CCCCC1 ZINC001132995182 764782369 /nfs/dbraw/zinc/78/23/69/764782369.db2.gz NIBWRTFGMIPCQU-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132996970 764784254 /nfs/dbraw/zinc/78/42/54/764784254.db2.gz CERQGFHPVNYRDI-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051417 764802025 /nfs/dbraw/zinc/80/20/25/764802025.db2.gz FYOQRZMHMUJGOY-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC)C1 ZINC001133178372 764859155 /nfs/dbraw/zinc/85/91/55/764859155.db2.gz PGQULPKZMFBPDF-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285858 764905859 /nfs/dbraw/zinc/90/58/59/764905859.db2.gz LTQFPGFNMXWFRZ-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285917 764905908 /nfs/dbraw/zinc/90/59/08/764905908.db2.gz OHBZAPPXXTXMBR-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C(C)C)[NH+](C)C ZINC001133433823 764966982 /nfs/dbraw/zinc/96/69/82/764966982.db2.gz BWJBAGLGYKPVJT-UONOGXRCSA-N 1 3 314.474 0.534 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434014 764967947 /nfs/dbraw/zinc/96/79/47/764967947.db2.gz HKDOKHHQYMENNI-DZGCQCFKSA-N 1 3 314.474 0.583 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133689901 765096064 /nfs/dbraw/zinc/09/60/64/765096064.db2.gz FALJOKJTUUYMLH-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001133819627 765149357 /nfs/dbraw/zinc/14/93/57/765149357.db2.gz JPGHTMSSLSHLRY-WBVHZDCISA-N 1 3 319.449 0.780 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001133819387 765149783 /nfs/dbraw/zinc/14/97/83/765149783.db2.gz AQMBXOKNSRHFGF-GOEBONIOSA-N 1 3 305.422 0.910 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133851129 765170800 /nfs/dbraw/zinc/17/08/00/765170800.db2.gz XNEOUZXVPNYXIU-OAHLLOKOSA-N 1 3 316.421 0.041 20 0 DCADHO CCNC(=O)CNCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133851129 765170804 /nfs/dbraw/zinc/17/08/04/765170804.db2.gz XNEOUZXVPNYXIU-OAHLLOKOSA-N 1 3 316.421 0.041 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001133845470 765178671 /nfs/dbraw/zinc/17/86/71/765178671.db2.gz GSEZIXJCNZBCII-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001133845470 765178672 /nfs/dbraw/zinc/17/86/72/765178672.db2.gz GSEZIXJCNZBCII-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCC[C@H](C)C2)C1 ZINC001133846109 765180333 /nfs/dbraw/zinc/18/03/33/765180333.db2.gz UFOUAFQTPMLCOR-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCC[C@H](C)C2)C1 ZINC001133846109 765180338 /nfs/dbraw/zinc/18/03/38/765180338.db2.gz UFOUAFQTPMLCOR-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849616 765181301 /nfs/dbraw/zinc/18/13/01/765181301.db2.gz APOGCQOZVWVNPA-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849616 765181303 /nfs/dbraw/zinc/18/13/03/765181303.db2.gz APOGCQOZVWVNPA-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](NCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001133856456 765182985 /nfs/dbraw/zinc/18/29/85/765182985.db2.gz GBQWMSDAHVBTNY-NHYWBVRUSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@H](NCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001133856456 765182993 /nfs/dbraw/zinc/18/29/93/765182993.db2.gz GBQWMSDAHVBTNY-NHYWBVRUSA-N 1 3 316.421 0.169 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCCCCn2cncn2)C1 ZINC001133850159 765183326 /nfs/dbraw/zinc/18/33/26/765183326.db2.gz KLBASQOZQALBTQ-HNNXBMFYSA-N 1 3 322.457 0.496 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1)N(C)C ZINC001133962431 765257393 /nfs/dbraw/zinc/25/73/93/765257393.db2.gz JBTAWUGHINVLAL-CVEARBPZSA-N 1 3 307.438 0.636 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21 ZINC001115161748 765616302 /nfs/dbraw/zinc/61/63/02/765616302.db2.gz LOAWARFRNHJKNJ-QLPKVWCKSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21 ZINC001115161748 765616308 /nfs/dbraw/zinc/61/63/08/765616308.db2.gz LOAWARFRNHJKNJ-QLPKVWCKSA-N 1 3 309.454 0.944 20 0 DCADHO CCCC[C@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001134780604 765671708 /nfs/dbraw/zinc/67/17/08/765671708.db2.gz NSVFUJNCZHZONS-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1ccnn1C)C(C)C ZINC001135477344 765950140 /nfs/dbraw/zinc/95/01/40/765950140.db2.gz CYWLQSBQAHRFIG-HNNXBMFYSA-N 1 3 309.458 0.992 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC=CCC1 ZINC001117406964 766049239 /nfs/dbraw/zinc/04/92/39/766049239.db2.gz GFVPVJXAJFVSPS-CQSZACIVSA-N 1 3 310.442 0.163 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N(C)CC ZINC001135743467 766085293 /nfs/dbraw/zinc/08/52/93/766085293.db2.gz LCAZIMZDMVWCKY-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)CC[N@@H+]1C ZINC001092620502 768359865 /nfs/dbraw/zinc/35/98/65/768359865.db2.gz LOEIXIYIFXTVBM-KBUPBQIOSA-N 1 3 324.469 0.099 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(=O)N(C)C)C[C@H]2C)CC[N@H+]1C ZINC001092620502 768359873 /nfs/dbraw/zinc/35/98/73/768359873.db2.gz LOEIXIYIFXTVBM-KBUPBQIOSA-N 1 3 324.469 0.099 20 0 DCADHO COC(=O)c1cc(N[C@H](N)CCC[NH3+])c(N(C)C)cc1OC ZINC001170900649 766250557 /nfs/dbraw/zinc/25/05/57/766250557.db2.gz XKCALTFPCHFWOM-AWEZNQCLSA-N 1 3 310.398 0.983 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@@H+](CC)CCCO1 ZINC001149803661 768864978 /nfs/dbraw/zinc/86/49/78/768864978.db2.gz BZRBTGZSXKNTHM-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO COC[C@H](C)N1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242516 769045172 /nfs/dbraw/zinc/04/51/72/769045172.db2.gz YXTNXPKGFMKXSR-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](O)C1 ZINC001090828974 766647124 /nfs/dbraw/zinc/64/71/24/766647124.db2.gz VSBUJXZHHOYNCV-JKSUJKDBSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](O)C1 ZINC001090828974 766647128 /nfs/dbraw/zinc/64/71/28/766647128.db2.gz VSBUJXZHHOYNCV-JKSUJKDBSA-N 1 3 305.422 0.933 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)Cn2ccnc2C)CC1 ZINC001144197363 766824513 /nfs/dbraw/zinc/82/45/13/766824513.db2.gz FXUDTLPYPMQGLG-UHFFFAOYSA-N 1 3 307.442 0.725 20 0 DCADHO O=C(NCC1CC([NH2+]CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001091150837 766961464 /nfs/dbraw/zinc/96/14/64/766961464.db2.gz BOQYRNINODNJLG-KUNBBXKYSA-N 1 3 319.449 0.744 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160688279 767018633 /nfs/dbraw/zinc/01/86/33/767018633.db2.gz AKLUPWOANOBAQB-KGLIPLIRSA-N 1 3 317.437 0.990 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160688279 767018643 /nfs/dbraw/zinc/01/86/43/767018643.db2.gz AKLUPWOANOBAQB-KGLIPLIRSA-N 1 3 317.437 0.990 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091267212 767076244 /nfs/dbraw/zinc/07/62/44/767076244.db2.gz DQRJWTFLHJKCGD-RUXDESIVSA-N 1 3 310.442 0.219 20 0 DCADHO Cc1ncc(CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001091364812 767214052 /nfs/dbraw/zinc/21/40/52/767214052.db2.gz OFZOMNPWTMXPRT-OGVSOVDVSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001091364812 767214054 /nfs/dbraw/zinc/21/40/54/767214054.db2.gz OFZOMNPWTMXPRT-OGVSOVDVSA-N 1 3 317.437 0.721 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001160835442 767348133 /nfs/dbraw/zinc/34/81/33/767348133.db2.gz WYTLLYKBKVHLOP-ZDUSSCGKSA-N 1 3 303.410 0.695 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H]2CCCN(C)C2=O)CC1 ZINC001146385059 767452139 /nfs/dbraw/zinc/45/21/39/767452139.db2.gz YDQVEBYDMVBIDM-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCO ZINC001146594342 767485742 /nfs/dbraw/zinc/48/57/42/767485742.db2.gz SKHYOCAIALYYAF-KGLIPLIRSA-N 1 3 303.447 0.208 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146593537 767486133 /nfs/dbraw/zinc/48/61/33/767486133.db2.gz PUWIOCJKJBFGFX-QWHCGFSZSA-N 1 3 300.447 0.336 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146593536 767485800 /nfs/dbraw/zinc/48/58/00/767485800.db2.gz PUWIOCJKJBFGFX-OLZOCXBDSA-N 1 3 300.447 0.336 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)Cc1ccco1 ZINC001146711060 767509658 /nfs/dbraw/zinc/50/96/58/767509658.db2.gz NVGDJBQFDPHWPO-UHFFFAOYSA-N 1 3 324.425 0.286 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)Cc1ccco1 ZINC001146711060 767509660 /nfs/dbraw/zinc/50/96/60/767509660.db2.gz NVGDJBQFDPHWPO-UHFFFAOYSA-N 1 3 324.425 0.286 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001146718442 767511214 /nfs/dbraw/zinc/51/12/14/767511214.db2.gz BKBOMVGYOOXCJN-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001146718442 767511218 /nfs/dbraw/zinc/51/12/18/767511218.db2.gz BKBOMVGYOOXCJN-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCCC[C@H]1C ZINC001146719991 767512548 /nfs/dbraw/zinc/51/25/48/767512548.db2.gz ZPJPIWVDSQLBGI-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCCC[C@H]1C ZINC001146719991 767512550 /nfs/dbraw/zinc/51/25/50/767512550.db2.gz ZPJPIWVDSQLBGI-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@@H]([NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1)C(N)=O ZINC001121935315 767673346 /nfs/dbraw/zinc/67/33/46/767673346.db2.gz MPYSTGPKXPJTSU-OPFKTAGGSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](NCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)N(C)C ZINC001147338924 767713391 /nfs/dbraw/zinc/71/33/91/767713391.db2.gz DJHSVMAQHCQFKC-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(=O)NC)C2 ZINC001122106877 767716025 /nfs/dbraw/zinc/71/60/25/767716025.db2.gz UBFGLLBQGJRFLS-FBVPLBQTSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)C12CCC2 ZINC001203035680 768528647 /nfs/dbraw/zinc/52/86/47/768528647.db2.gz FNDCSWOKWMHYGT-KGLIPLIRSA-N 1 3 322.453 0.234 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001161226828 768698640 /nfs/dbraw/zinc/69/86/40/768698640.db2.gz PYRUFYOHWGMDQQ-ZDUSSCGKSA-N 1 3 322.457 0.592 20 0 DCADHO CCC[NH+]1C[C@H]2CN(C(=O)CCN3CCN(C)CC3)C[C@@H]2C1 ZINC001143231711 768698898 /nfs/dbraw/zinc/69/88/98/768698898.db2.gz QISGWGRELWPWBT-HOTGVXAUSA-N 1 3 308.470 0.424 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001161226826 768699063 /nfs/dbraw/zinc/69/90/63/768699063.db2.gz PYRUFYOHWGMDQQ-CYBMUJFWSA-N 1 3 322.457 0.592 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1C[N@H+](CC)CCCO1 ZINC001149803661 768864971 /nfs/dbraw/zinc/86/49/71/768864971.db2.gz BZRBTGZSXKNTHM-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CCOCCN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240959 769046783 /nfs/dbraw/zinc/04/67/83/769046783.db2.gz JZWLPXLRNGTRLJ-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO COc1cnc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cn1 ZINC001231940361 769290692 /nfs/dbraw/zinc/29/06/92/769290692.db2.gz FQQMODMPNYEHNR-UHFFFAOYSA-N 1 3 319.453 0.945 20 0 DCADHO C[NH+]1CCN(c2ccc(CN3CC[C@@H](F)[C@@H](O)C3)cn2)CC1 ZINC001232361566 769308716 /nfs/dbraw/zinc/30/87/16/769308716.db2.gz ZOKXCMZXAOIHEU-CABCVRRESA-N 1 3 308.401 0.738 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001171757023 769366811 /nfs/dbraw/zinc/36/68/11/769366811.db2.gz FIGBIQJCXIVRJJ-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152223739 769509739 /nfs/dbraw/zinc/50/97/39/769509739.db2.gz OCXMSDJNDHPFBY-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCCNC(=O)CNCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237586 769514942 /nfs/dbraw/zinc/51/49/42/769514942.db2.gz QONOMFXQXSKYFU-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001152479030 769573337 /nfs/dbraw/zinc/57/33/37/769573337.db2.gz AKLQEYHZUJANSC-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C[C@@H]1C(=O)OC ZINC001173574626 769675890 /nfs/dbraw/zinc/67/58/90/769675890.db2.gz VVCMTKCYLQUHGK-POQQGIQPSA-N 1 3 312.410 0.657 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C[C@@H]1C(=O)OC ZINC001173574626 769675894 /nfs/dbraw/zinc/67/58/94/769675894.db2.gz VVCMTKCYLQUHGK-POQQGIQPSA-N 1 3 312.410 0.657 20 0 DCADHO COC(=O)c1ccc(C[C@@H](C)NC[C@@H](C[NH3+])C(=O)OC)cc1 ZINC001173711854 769702454 /nfs/dbraw/zinc/70/24/54/769702454.db2.gz NOLLITUCUADVEP-BXUZGUMPSA-N 1 3 308.378 0.742 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CCCC[NH+]2CCCC2)C1=O ZINC001153314542 769781904 /nfs/dbraw/zinc/78/19/04/769781904.db2.gz LYKAPIQQPFZMRS-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO c1cc(CN2C[C@@H]3COC[C@H](C2)N3)cc(N2CC[NH2+]CC2)c1 ZINC001235298116 769799000 /nfs/dbraw/zinc/79/90/00/769799000.db2.gz JGQUKSNXIJOGCY-IYBDPMFKSA-N 1 3 302.422 0.269 20 0 DCADHO Cc1nnc(CNCCCC[C@H](C)NC(=O)CC[NH+](C)C)[nH]1 ZINC001175047917 769854885 /nfs/dbraw/zinc/85/48/85/769854885.db2.gz DJWJAKXOEHWKRZ-LBPRGKRZSA-N 1 3 310.446 0.829 20 0 DCADHO CO[C@@H]1CCN(C[C@@H](C)[NH3+])[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001235537118 769879415 /nfs/dbraw/zinc/87/94/15/769879415.db2.gz MHJJBKSWLKNNCD-XLNGHYISSA-N 1 3 304.438 0.950 20 0 DCADHO CC(C)C(=O)N1CCN(CCCC[NH3+])C[C@@]2(CCCC(=O)N2)C1 ZINC001235622505 769915428 /nfs/dbraw/zinc/91/54/28/769915428.db2.gz AQMWQGXXLLLMSP-KRWDZBQOSA-N 1 3 324.469 0.564 20 0 DCADHO COC(=O)C[C@@H]1C[NH2+]CCN1Cc1nc2c(s1)CNCC2 ZINC001235848489 769951664 /nfs/dbraw/zinc/95/16/64/769951664.db2.gz CHRYVVIDSDDHRU-SNVBAGLBSA-N 1 3 310.423 0.126 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCOCCOC)N(C)C ZINC001154000869 770033286 /nfs/dbraw/zinc/03/32/86/770033286.db2.gz LDSZQFOUSYIWOF-HUUCEWRRSA-N 1 3 317.474 0.816 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCOCCOC)N(C)C ZINC001154000869 770033292 /nfs/dbraw/zinc/03/32/92/770033292.db2.gz LDSZQFOUSYIWOF-HUUCEWRRSA-N 1 3 317.474 0.816 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCn1cncn1 ZINC001176284227 770062487 /nfs/dbraw/zinc/06/24/87/770062487.db2.gz DKXBMIRQSKIXSN-OAHLLOKOSA-N 1 3 324.473 0.885 20 0 DCADHO O=S(=O)(N[C@H]1CCCN[C@@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC001238734743 770127531 /nfs/dbraw/zinc/12/75/31/770127531.db2.gz NTBWSULKCTVDMY-QLFBSQMISA-N 1 3 309.435 0.761 20 0 DCADHO NCCS(=O)(=O)NC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC001238760575 770128345 /nfs/dbraw/zinc/12/83/45/770128345.db2.gz LHVITAZTJXWYSV-UHFFFAOYSA-N 1 3 317.842 0.797 20 0 DCADHO CC[C@H]([NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)C(N)=O ZINC001176760239 770168221 /nfs/dbraw/zinc/16/82/21/770168221.db2.gz RWUXLUIPPOHGHG-KGLIPLIRSA-N 1 3 314.474 0.855 20 0 DCADHO NCCS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001239068273 770173311 /nfs/dbraw/zinc/17/33/11/770173311.db2.gz BDHUMPIUDMWITB-CVEARBPZSA-N 1 3 323.462 0.528 20 0 DCADHO [NH3+]CCN=c1ccc(Br)cn1C(=O)Cc1c[nH]cn1 ZINC001176836007 770183473 /nfs/dbraw/zinc/18/34/73/770183473.db2.gz JBTRQHLLMMVGAZ-UHFFFAOYSA-N 1 3 324.182 0.716 20 0 DCADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)NCC1CCOCC1 ZINC001239215501 770199314 /nfs/dbraw/zinc/19/93/14/770199314.db2.gz KSDACPMTLWEGFE-AWEZNQCLSA-N 1 3 310.442 0.586 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001206653487 770420884 /nfs/dbraw/zinc/42/08/84/770420884.db2.gz GGCMGIJFDSNYGV-UHFFFAOYSA-N 1 3 315.458 0.165 20 0 DCADHO Cc1nnc(CNCCCCCCNC(=O)CC[NH+](C)C)[nH]1 ZINC001179464498 771008842 /nfs/dbraw/zinc/00/88/42/771008842.db2.gz VGWKJPBPSWFGRL-UHFFFAOYSA-N 1 3 310.446 0.831 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180204644 771074066 /nfs/dbraw/zinc/07/40/66/771074066.db2.gz WTVMJUGVZDOBIZ-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180207724 771074597 /nfs/dbraw/zinc/07/45/97/771074597.db2.gz DUPCSZPEMHAIPW-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180222013 771076084 /nfs/dbraw/zinc/07/60/84/771076084.db2.gz JKIQSQJRQZEVKL-KBPBESRZSA-N 1 3 312.458 0.430 20 0 DCADHO Cn1cc(CNCCCCCCNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001180265562 771089839 /nfs/dbraw/zinc/08/98/39/771089839.db2.gz VUCOXILSSRSYSR-AWEZNQCLSA-N 1 3 322.457 0.533 20 0 DCADHO Cn1cc(CNCCCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001180265562 771089844 /nfs/dbraw/zinc/08/98/44/771089844.db2.gz VUCOXILSSRSYSR-AWEZNQCLSA-N 1 3 322.457 0.533 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001180273006 771091160 /nfs/dbraw/zinc/09/11/60/771091160.db2.gz SOQGILXXUHECOG-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181440520 771292131 /nfs/dbraw/zinc/29/21/31/771292131.db2.gz JBLINZDEIPAKDP-CKEIUWERSA-N 1 3 324.469 0.419 20 0 DCADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755293 771343751 /nfs/dbraw/zinc/34/37/51/771343751.db2.gz MNMBDURATCVZKM-ISTRZQFTSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181736309 771347194 /nfs/dbraw/zinc/34/71/94/771347194.db2.gz LJUINJQEPQMOBD-MLGOLLRUSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCCC1 ZINC001151074445 771378320 /nfs/dbraw/zinc/37/83/20/771378320.db2.gz YUDLEIDWZBSQNV-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCCC1 ZINC001151074445 771378323 /nfs/dbraw/zinc/37/83/23/771378323.db2.gz YUDLEIDWZBSQNV-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO COCCN(C(=O)C1(O)CCN(C)CC1)C1CC[NH+](C)CC1 ZINC001182031394 771389643 /nfs/dbraw/zinc/38/96/43/771389643.db2.gz MCXJVLPBAHALNY-UHFFFAOYSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)CNCc1ccn(C)n1 ZINC001182485599 771503561 /nfs/dbraw/zinc/50/35/61/771503561.db2.gz DQEBUHWLXPPLKO-RHSMWYFYSA-N 1 3 321.469 0.946 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(C)C)C2)CC[N@@H+]1C ZINC001182692962 771535652 /nfs/dbraw/zinc/53/56/52/771535652.db2.gz PRKQDMBUXJQNSO-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(C)C)C2)CC[N@H+]1C ZINC001182692962 771535658 /nfs/dbraw/zinc/53/56/58/771535658.db2.gz PRKQDMBUXJQNSO-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO NC(C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)C(F)(F)F ZINC001157378939 771598979 /nfs/dbraw/zinc/59/89/79/771598979.db2.gz GXEWINYMUQRDDX-VHSXEESVSA-N 1 3 324.347 0.112 20 0 DCADHO N[C@H]1CN(C(=O)C2(Cc3cccnc3)CC[NH2+]CC2)C[C@H]1F ZINC001157531214 771627095 /nfs/dbraw/zinc/62/70/95/771627095.db2.gz NFQYUNSVBHHBMG-KGLIPLIRSA-N 1 3 306.385 0.502 20 0 DCADHO CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001157593522 771638700 /nfs/dbraw/zinc/63/87/00/771638700.db2.gz VMTUTJCDEARXLV-GHMZBOCLSA-N 1 3 301.387 0.605 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001157715051 771657860 /nfs/dbraw/zinc/65/78/60/771657860.db2.gz AXPSLHZYFZAPCH-HOTGVXAUSA-N 1 3 303.406 0.176 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]1(N)CCc2cc(F)ccc2C1 ZINC001157720565 771658398 /nfs/dbraw/zinc/65/83/98/771658398.db2.gz LVYPWOQFZOOUNP-DOTOQJQBSA-N 1 3 321.396 0.459 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157781117 771670600 /nfs/dbraw/zinc/67/06/00/771670600.db2.gz MLAOMHVCIKZYSW-DZGCQCFKSA-N 1 3 303.422 0.759 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1)C(N)=O ZINC001183582497 771670766 /nfs/dbraw/zinc/67/07/66/771670766.db2.gz ZSGSQPDJRWFUGK-MGPQQGTHSA-N 1 3 312.458 0.561 20 0 DCADHO [NH3+]CCc1nc(-c2ccccc2)nn1-c1ncc2c(n1)CCNC2 ZINC001157895760 771688508 /nfs/dbraw/zinc/68/85/08/771688508.db2.gz RBAJFWYNCXBUMR-UHFFFAOYSA-N 1 3 321.388 0.871 20 0 DCADHO CC1(C)CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)[C@@](C)(CO)C1 ZINC001157927203 771695385 /nfs/dbraw/zinc/69/53/85/771695385.db2.gz VIJSMXADOOKCQV-XJKSGUPXSA-N 1 3 309.454 0.870 20 0 DCADHO CC1(C)CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)[C@@](C)(CO)C1 ZINC001157927203 771695386 /nfs/dbraw/zinc/69/53/86/771695386.db2.gz VIJSMXADOOKCQV-XJKSGUPXSA-N 1 3 309.454 0.870 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001183740109 771700004 /nfs/dbraw/zinc/70/00/04/771700004.db2.gz XJJYMPPHDOWELX-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cnccn1 ZINC001158196836 771739039 /nfs/dbraw/zinc/73/90/39/771739039.db2.gz ORRNYKNBGVSOIC-UKRRQHHQSA-N 1 3 317.437 0.975 20 0 DCADHO O=C(c1ccc(CN2CC[C@@H](O)C2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158231799 771743923 /nfs/dbraw/zinc/74/39/23/771743923.db2.gz PSZOVYFWAPGIHC-IXDOHACOSA-N 1 3 315.417 0.830 20 0 DCADHO Cc1nc(N(C)C)cc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259801 771748792 /nfs/dbraw/zinc/74/87/92/771748792.db2.gz VISLJEKJXSYEAA-CYBMUJFWSA-N 1 3 304.442 0.853 20 0 DCADHO COCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184423146 771787021 /nfs/dbraw/zinc/78/70/21/771787021.db2.gz AWXOQNBNIDXMSU-GYMHETDLSA-N 1 3 323.437 0.077 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545879 771787992 /nfs/dbraw/zinc/78/79/92/771787992.db2.gz FPWGJTMXOONIOZ-JFIYKMOQSA-N 1 3 313.401 0.883 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1)C(N)=O ZINC001184609847 771805787 /nfs/dbraw/zinc/80/57/87/771805787.db2.gz WDSWHQRWBANHSM-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1)C(N)=O ZINC001184609847 771805793 /nfs/dbraw/zinc/80/57/93/771805793.db2.gz WDSWHQRWBANHSM-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNCc1cn(C)nn1 ZINC001185087185 771860044 /nfs/dbraw/zinc/86/00/44/771860044.db2.gz WFHSYXAPXAAONR-KGLIPLIRSA-N 1 3 322.457 0.341 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265086 771894990 /nfs/dbraw/zinc/89/49/90/771894990.db2.gz LTHFYYSDNFBFET-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001185340523 771907664 /nfs/dbraw/zinc/90/76/64/771907664.db2.gz ZERHTQXLYGUHNX-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400839 771911760 /nfs/dbraw/zinc/91/17/60/771911760.db2.gz KTMYXYXPFYCQRZ-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1)[NH+](C)C ZINC001185446654 771914919 /nfs/dbraw/zinc/91/49/19/771914919.db2.gz RSSMFNRHHNKDGG-GDBMZVCRSA-N 1 3 324.469 0.289 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCc2ccco2)C1 ZINC001185407998 771916462 /nfs/dbraw/zinc/91/64/62/771916462.db2.gz JJHBVOLNASGIDK-CYBMUJFWSA-N 1 3 322.409 0.038 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)C(=O)N(C)C ZINC001185676458 771947053 /nfs/dbraw/zinc/94/70/53/771947053.db2.gz XULGMDJGBRBQOD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCCS(C)(=O)=O)CCC1 ZINC001159860760 771968893 /nfs/dbraw/zinc/96/88/93/771968893.db2.gz FCIZHQUUQSUDQC-UHFFFAOYSA-N 1 3 319.471 0.001 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCN2CCCC2=O)CCC1 ZINC001159860942 771969165 /nfs/dbraw/zinc/96/91/65/771969165.db2.gz HGDTZROUFVELTF-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)nn1 ZINC001159915356 771976436 /nfs/dbraw/zinc/97/64/36/771976436.db2.gz JRWQABASQVIDSH-HNNXBMFYSA-N 1 3 321.425 0.421 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159917489 771977584 /nfs/dbraw/zinc/97/75/84/771977584.db2.gz XMEAHQFRYIYWFU-SWLSCSKDSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001159932379 771980436 /nfs/dbraw/zinc/98/04/36/771980436.db2.gz PZPCGAHPSQPBBB-BBRMVZONSA-N 1 3 324.469 0.339 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997170 771986407 /nfs/dbraw/zinc/98/64/07/771986407.db2.gz IPSRJDCENQBBIF-UHFFFAOYSA-N 1 3 308.430 0.378 20 0 DCADHO CC(=O)N1CCCC[C@@]12CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160421188 772034898 /nfs/dbraw/zinc/03/48/98/772034898.db2.gz AWSIKDKYMMJHOX-WBVHZDCISA-N 1 3 322.453 0.317 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1 ZINC001186487619 772045985 /nfs/dbraw/zinc/04/59/85/772045985.db2.gz KKZKRNIIDVXAEU-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1 ZINC001186496600 772046439 /nfs/dbraw/zinc/04/64/39/772046439.db2.gz MNUJFPLNYOVCOD-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H]1Cc1ccccn1 ZINC001160544170 772062158 /nfs/dbraw/zinc/06/21/58/772062158.db2.gz HLHBCXNTTUHZQP-HUUCEWRRSA-N 1 3 300.406 0.424 20 0 DCADHO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160565490 772066778 /nfs/dbraw/zinc/06/67/78/772066778.db2.gz QSXWJGTXAGVNJT-AWEZNQCLSA-N 1 3 303.366 0.080 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160582580 772070884 /nfs/dbraw/zinc/07/08/84/772070884.db2.gz OUCWDJOAUIHWAT-DVOMOZLQSA-N 1 3 309.410 0.130 20 0 DCADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160582943 772071016 /nfs/dbraw/zinc/07/10/16/772071016.db2.gz SDQPAOSYKRTQHR-UONOGXRCSA-N 1 3 313.442 0.990 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186731368 772080845 /nfs/dbraw/zinc/08/08/45/772080845.db2.gz JKJBUAONGMLTJM-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO N[C@@H](C(=O)N1CCc2ccc(=O)[nH]c2CC1)C1CC[NH2+]CC1 ZINC001160756595 772107340 /nfs/dbraw/zinc/10/73/40/772107340.db2.gz RJZPFCKROGELQV-OAHLLOKOSA-N 1 3 304.394 0.041 20 0 DCADHO COC(=O)C[C@H]1CCCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001160831564 772117572 /nfs/dbraw/zinc/11/75/72/772117572.db2.gz ASUANJWWHBGTSM-KGLIPLIRSA-N 1 3 313.442 0.847 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]Cc1c(C)nnn1CC)N(C)C ZINC001160883418 772132140 /nfs/dbraw/zinc/13/21/40/772132140.db2.gz MOHNTSJRXZBBPK-CYBMUJFWSA-N 1 3 310.446 0.543 20 0 DCADHO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889056 772133196 /nfs/dbraw/zinc/13/31/96/772133196.db2.gz AQMHZHZYNMRXFJ-CQSZACIVSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161065699 772161067 /nfs/dbraw/zinc/16/10/67/772161067.db2.gz YQJVQMMBAUTGJY-XDQVBPFNSA-N 1 3 312.458 0.593 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161082387 772163145 /nfs/dbraw/zinc/16/31/45/772163145.db2.gz ODIYBDHFXXYVSO-LJISPDSOSA-N 1 3 324.469 0.417 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161082387 772163149 /nfs/dbraw/zinc/16/31/49/772163149.db2.gz ODIYBDHFXXYVSO-LJISPDSOSA-N 1 3 324.469 0.417 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245302 772190248 /nfs/dbraw/zinc/19/02/48/772190248.db2.gz CJXJWZDZILJMAR-GOEBONIOSA-N 1 3 309.385 0.820 20 0 DCADHO [NH3+][C@H]1CC[C@H](N(c2cc3c(nn2)CCNC3)C2COC2)CC1 ZINC001161280843 772196204 /nfs/dbraw/zinc/19/62/04/772196204.db2.gz KPXQLFFFYFPVKF-JOCQHMNTSA-N 1 3 303.410 0.597 20 0 DCADHO COc1ccc(O[C@@H]2CCCN(C(=O)[C@H](N)CCC[NH3+])C2)nc1 ZINC001161368003 772211941 /nfs/dbraw/zinc/21/19/41/772211941.db2.gz ARWDCDGPWFRKOF-ZIAGYGMSSA-N 1 3 322.409 0.526 20 0 DCADHO CN(C)CCN(C(=O)[C@@]1(C)CC(F)(F)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161444054 772224383 /nfs/dbraw/zinc/22/43/83/772224383.db2.gz AYRXWCLYESNDNM-TZMCWYRMSA-N 1 3 318.412 0.516 20 0 DCADHO CN1CCC(N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C2CCCC2)CC1 ZINC001161454380 772226116 /nfs/dbraw/zinc/22/61/16/772226116.db2.gz VOZODMKZZPWGLT-RRQGHBQHSA-N 1 3 320.481 0.802 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001188106622 772267281 /nfs/dbraw/zinc/26/72/81/772267281.db2.gz OYWFEQLBUDEBAG-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001188139597 772271296 /nfs/dbraw/zinc/27/12/96/772271296.db2.gz PRTXZJAOOIBPLR-CYBMUJFWSA-N 1 3 310.442 0.138 20 0 DCADHO Cn1cc(CCN2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)cn1 ZINC001189054604 772409625 /nfs/dbraw/zinc/40/96/25/772409625.db2.gz HYQFQNZMFIQQLH-JKSUJKDBSA-N 1 3 319.453 0.447 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc2c(n1)CNCC2 ZINC001162724565 772411375 /nfs/dbraw/zinc/41/13/75/772411375.db2.gz FEYXTCIQOWDEGU-CQSZACIVSA-N 1 3 321.425 0.665 20 0 DCADHO CN1CCN(c2ccc(N[C@@]34CC[NH2+][C@H]3CC(=O)N4)cc2)CC1 ZINC001163247432 772490303 /nfs/dbraw/zinc/49/03/03/772490303.db2.gz DPNNTTGAIVXWDJ-DOTOQJQBSA-N 1 3 315.421 0.428 20 0 DCADHO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3c(c2)COC32CNC2)N1 ZINC001163254439 772493540 /nfs/dbraw/zinc/49/35/40/772493540.db2.gz NOWPLFHWVUTLLU-CJNGLKHVSA-N 1 3 300.362 0.005 20 0 DCADHO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3c(c2)COC32CNC2)N1 ZINC001163254440 772493857 /nfs/dbraw/zinc/49/38/57/772493857.db2.gz NOWPLFHWVUTLLU-CZUORRHYSA-N 1 3 300.362 0.005 20 0 DCADHO c1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165270392 772713659 /nfs/dbraw/zinc/71/36/59/772713659.db2.gz DSDFDEVLUUVVTI-GJZGRUSLSA-N 1 3 303.410 0.511 20 0 DCADHO C[C@@H](NCCCNC(=O)C1CC[NH+](C)CC1)c1cnccn1 ZINC001165777508 772762318 /nfs/dbraw/zinc/76/23/18/772762318.db2.gz VJUWPJHNHPQGCT-CYBMUJFWSA-N 1 3 305.426 0.975 20 0 DCADHO COCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191432062 772767879 /nfs/dbraw/zinc/76/78/79/772767879.db2.gz YPDSSJJROPNAOP-KRIMKBQASA-N 1 3 323.437 0.029 20 0 DCADHO COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191432062 772767884 /nfs/dbraw/zinc/76/78/84/772767884.db2.gz YPDSSJJROPNAOP-KRIMKBQASA-N 1 3 323.437 0.029 20 0 DCADHO Cn1cncc1C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001166408008 772808493 /nfs/dbraw/zinc/80/84/93/772808493.db2.gz GAXJKBVMCALDGF-ZDUSSCGKSA-N 1 3 316.409 0.859 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C)C1CC1 ZINC001166626170 772830049 /nfs/dbraw/zinc/83/00/49/772830049.db2.gz BWUOORDDKYVLKB-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634452 772832197 /nfs/dbraw/zinc/83/21/97/772832197.db2.gz SEYQJYDCHAJGBB-ZDUSSCGKSA-N 1 3 322.457 0.687 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166707023 772844851 /nfs/dbraw/zinc/84/48/51/772844851.db2.gz CGLFLYXBMQRHGR-GXTWGEPZSA-N 1 3 308.430 0.092 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707023 772844853 /nfs/dbraw/zinc/84/48/53/772844853.db2.gz CGLFLYXBMQRHGR-GXTWGEPZSA-N 1 3 308.430 0.092 20 0 DCADHO CN(CC(=O)NCCC[NH2+]Cc1cnn(C)c1)CC(C)(C)C ZINC001166744266 772855817 /nfs/dbraw/zinc/85/58/17/772855817.db2.gz OFGJISSCPPKSIB-UHFFFAOYSA-N 1 3 309.458 0.994 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C)N(C)C ZINC001166866727 772872794 /nfs/dbraw/zinc/87/27/94/772872794.db2.gz RYLDCDLNSKHEAB-ZDUSSCGKSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@H]1NC=C2C(=O)OCCC2=C1CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001205662963 773005558 /nfs/dbraw/zinc/00/55/58/773005558.db2.gz GGLVYJHDDFUDAA-SJKOYZFVSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001205662963 773005560 /nfs/dbraw/zinc/00/55/60/773005560.db2.gz GGLVYJHDDFUDAA-SJKOYZFVSA-N 1 3 321.421 0.281 20 0 DCADHO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001205662963 773005565 /nfs/dbraw/zinc/00/55/65/773005565.db2.gz GGLVYJHDDFUDAA-SJKOYZFVSA-N 1 3 321.421 0.281 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC001193642091 773093592 /nfs/dbraw/zinc/09/35/92/773093592.db2.gz MADXBMCGFGMQPE-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC001193642091 773093596 /nfs/dbraw/zinc/09/35/96/773093596.db2.gz MADXBMCGFGMQPE-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001206641900 773096031 /nfs/dbraw/zinc/09/60/31/773096031.db2.gz IPKNSGFLQJMIRL-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001206890428 773121870 /nfs/dbraw/zinc/12/18/70/773121870.db2.gz RGWMDJHEAYXREV-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001206928878 773137765 /nfs/dbraw/zinc/13/77/65/773137765.db2.gz MFANGDRBBHLQMA-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO c1cn(Cc2nnn3c2CN(CC2CC[NH2+]CC2)CCC3)cn1 ZINC001207435576 773205488 /nfs/dbraw/zinc/20/54/88/773205488.db2.gz QCCSAHRRPOEEKR-UHFFFAOYSA-N 1 3 315.425 0.728 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1C ZINC001207757353 773294539 /nfs/dbraw/zinc/29/45/39/773294539.db2.gz ACBVAZCMWATOLC-MGPQQGTHSA-N 1 3 315.458 0.161 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H](O)COC)C[C@H]1C ZINC001207757353 773294543 /nfs/dbraw/zinc/29/45/43/773294543.db2.gz ACBVAZCMWATOLC-MGPQQGTHSA-N 1 3 315.458 0.161 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1C ZINC001207757353 773294547 /nfs/dbraw/zinc/29/45/47/773294547.db2.gz ACBVAZCMWATOLC-MGPQQGTHSA-N 1 3 315.458 0.161 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001207757353 773294550 /nfs/dbraw/zinc/29/45/50/773294550.db2.gz ACBVAZCMWATOLC-MGPQQGTHSA-N 1 3 315.458 0.161 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001208339957 773436838 /nfs/dbraw/zinc/43/68/38/773436838.db2.gz HSFOUPGCSYNYET-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208372751 773445215 /nfs/dbraw/zinc/44/52/15/773445215.db2.gz BNLHWDSEVUGCMF-KFWWJZLASA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001208372752 773445553 /nfs/dbraw/zinc/44/55/53/773445553.db2.gz BNLHWDSEVUGCMF-KKUMJFAQSA-N 1 3 315.458 0.161 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491209 773476398 /nfs/dbraw/zinc/47/63/98/773476398.db2.gz BZAKWGSQKLGSAG-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO COCCOCCN1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208492220 773477350 /nfs/dbraw/zinc/47/73/50/773477350.db2.gz HRIUNWGSJWKFJQ-ZIAGYGMSSA-N 1 3 301.431 0.038 20 0 DCADHO CN1CCN(C)C2(CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001208611778 773505910 /nfs/dbraw/zinc/50/59/10/773505910.db2.gz XTRWZJLOIFYVBM-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CCN(C)C2(CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001208611778 773505913 /nfs/dbraw/zinc/50/59/13/773505913.db2.gz XTRWZJLOIFYVBM-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209302970 773588112 /nfs/dbraw/zinc/58/81/12/773588112.db2.gz IAKMVLQOELCFJA-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323029 773591206 /nfs/dbraw/zinc/59/12/06/773591206.db2.gz DEXTZLGFLPMFEI-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001209323928 773592088 /nfs/dbraw/zinc/59/20/88/773592088.db2.gz NKAHSKPJZLHSQY-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631906 773627514 /nfs/dbraw/zinc/62/75/14/773627514.db2.gz IDJUFRFATVCHLB-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001210282050 773694203 /nfs/dbraw/zinc/69/42/03/773694203.db2.gz BOOZYWYTQPSRNZ-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001210483303 773712807 /nfs/dbraw/zinc/71/28/07/773712807.db2.gz WSBDSNCHITZNSS-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001210483303 773712810 /nfs/dbraw/zinc/71/28/10/773712810.db2.gz WSBDSNCHITZNSS-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001210674035 773728289 /nfs/dbraw/zinc/72/82/89/773728289.db2.gz LYYCUMOFACCYOE-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001210674035 773728296 /nfs/dbraw/zinc/72/82/96/773728296.db2.gz LYYCUMOFACCYOE-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210745172 773734158 /nfs/dbraw/zinc/73/41/58/773734158.db2.gz YZPGJRWLXWBZFH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001210782924 773737570 /nfs/dbraw/zinc/73/75/70/773737570.db2.gz QDNQRLHQPOBVCI-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)CN1CCCC1 ZINC001211031351 773761831 /nfs/dbraw/zinc/76/18/31/773761831.db2.gz CYNLIAWSQCCVLQ-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)CN1CCCC1 ZINC001211031351 773761837 /nfs/dbraw/zinc/76/18/37/773761837.db2.gz CYNLIAWSQCCVLQ-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001211063935 773764729 /nfs/dbraw/zinc/76/47/29/773764729.db2.gz DQHOYGOHILQGDT-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001211063935 773764734 /nfs/dbraw/zinc/76/47/34/773764734.db2.gz DQHOYGOHILQGDT-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211063964 773765498 /nfs/dbraw/zinc/76/54/98/773765498.db2.gz FFHIFZGVGBPWGB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211063964 773765503 /nfs/dbraw/zinc/76/55/03/773765503.db2.gz FFHIFZGVGBPWGB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001211125501 773773452 /nfs/dbraw/zinc/77/34/52/773773452.db2.gz GGRDFRGHXHPPCL-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001211269265 773787692 /nfs/dbraw/zinc/78/76/92/773787692.db2.gz OEENHTCTZOEPCX-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001211283235 773789846 /nfs/dbraw/zinc/78/98/46/773789846.db2.gz FUWCYVAXLHKMTE-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc(N(C)C)cn1 ZINC001198140240 773860878 /nfs/dbraw/zinc/86/08/78/773860878.db2.gz SCSNVXUCMHREOF-UHFFFAOYSA-N 1 3 306.414 0.825 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001152464255 773939514 /nfs/dbraw/zinc/93/95/14/773939514.db2.gz COVNVXMUHASKKR-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214779958 774014423 /nfs/dbraw/zinc/01/44/23/774014423.db2.gz FBOIEKRRBYOYPJ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214779958 774014432 /nfs/dbraw/zinc/01/44/32/774014432.db2.gz FBOIEKRRBYOYPJ-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847368 774018835 /nfs/dbraw/zinc/01/88/35/774018835.db2.gz CNJSZYRFVHMSMC-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001215459044 774074451 /nfs/dbraw/zinc/07/44/51/774074451.db2.gz VBKDPAPMNKNRNG-VNHYZAJKSA-N 1 3 324.469 0.289 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)C(C)C ZINC001215977754 774096091 /nfs/dbraw/zinc/09/60/91/774096091.db2.gz RLTAKOMUIVAMSR-UMVBOHGHSA-N 1 3 312.458 0.275 20 0 DCADHO CN1CCN(c2ccncc2C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC001199361376 774096439 /nfs/dbraw/zinc/09/64/39/774096439.db2.gz VQALVMDYBAOLHM-AWEZNQCLSA-N 1 3 317.437 0.515 20 0 DCADHO CN1CCN(c2ccncc2C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001199361376 774096445 /nfs/dbraw/zinc/09/64/45/774096445.db2.gz VQALVMDYBAOLHM-AWEZNQCLSA-N 1 3 317.437 0.515 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccn(C2CCC2)c1=O ZINC001199488042 774121081 /nfs/dbraw/zinc/12/10/81/774121081.db2.gz NAGXOKGFNDMVOD-UHFFFAOYSA-N 1 3 305.382 0.648 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001216754190 774132936 /nfs/dbraw/zinc/13/29/36/774132936.db2.gz KGOHHUQNEJARLB-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001216754190 774132938 /nfs/dbraw/zinc/13/29/38/774132938.db2.gz KGOHHUQNEJARLB-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001218148151 774213835 /nfs/dbraw/zinc/21/38/35/774213835.db2.gz UZKHNYZQWFWFPP-SYAUCNOPSA-N 1 3 303.406 0.809 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1 ZINC001218445774 774226641 /nfs/dbraw/zinc/22/66/41/774226641.db2.gz BJVPHSPOQLRFON-IATRGZMQSA-N 1 3 319.405 0.479 20 0 DCADHO O=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218593422 774258151 /nfs/dbraw/zinc/25/81/51/774258151.db2.gz VEDNBPHUIKBHLW-ZETCQYMHSA-N 1 3 301.272 0.243 20 0 DCADHO COC(=O)c1ccnc(Cl)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218593094 774258295 /nfs/dbraw/zinc/25/82/95/774258295.db2.gz OGWXTXKAQVSAMY-SECBINFHSA-N 1 3 324.768 0.269 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639771 774270388 /nfs/dbraw/zinc/27/03/88/774270388.db2.gz BPGMZCNBRYGAIB-GFCCVEGCSA-N 1 3 323.397 0.415 20 0 DCADHO O=C(Nc1cc(Cl)ncc1CO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218694490 774281466 /nfs/dbraw/zinc/28/14/66/774281466.db2.gz ZVNXCFSGBLSLES-QMTHXVAHSA-N 1 3 310.785 0.365 20 0 DCADHO CN(CC(=O)Nc1cc([C@H]2CCCN2)no1)[C@@H]1CCC[NH2+]C1 ZINC001218710269 774285529 /nfs/dbraw/zinc/28/55/29/774285529.db2.gz DMJNPMDGUQYTTL-VXGBXAGGSA-N 1 3 307.398 0.721 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001218709863 774285543 /nfs/dbraw/zinc/28/55/43/774285543.db2.gz BOOMUYOAFVQUDF-BBGACYKPSA-N 1 3 306.366 0.662 20 0 DCADHO CN(CC(=O)Nc1cc([C@@H]2CCCN2)no1)[C@H]1CCC[NH2+]C1 ZINC001218710268 774285585 /nfs/dbraw/zinc/28/55/85/774285585.db2.gz DMJNPMDGUQYTTL-RYUDHWBXSA-N 1 3 307.398 0.721 20 0 DCADHO COc1ccccc1-n1nccc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218728596 774290567 /nfs/dbraw/zinc/29/05/67/774290567.db2.gz ODQUGJOLALTZMD-NSHDSACASA-N 1 3 303.366 0.886 20 0 DCADHO CCc1cc2ncc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)cn2n1 ZINC001218734405 774291550 /nfs/dbraw/zinc/29/15/50/774291550.db2.gz UTJYLYPYPOKLGA-BDJLRTHQSA-N 1 3 314.393 0.429 20 0 DCADHO CC1(C)COc2cc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)nn2C1 ZINC001218746802 774296054 /nfs/dbraw/zinc/29/60/54/774296054.db2.gz PPINIVJLDKAXQE-BDJLRTHQSA-N 1 3 319.409 0.439 20 0 DCADHO Nc1cnc(N(C(=O)[C@@H](N)C2CC[NH2+]CC2)C2CCCC2)nc1 ZINC001218755468 774298826 /nfs/dbraw/zinc/29/88/26/774298826.db2.gz YBHUDSQILHQZCS-AWEZNQCLSA-N 1 3 318.425 0.661 20 0 DCADHO Cc1ccc2c(c1NC(=O)[C@H](N)C1CC[NH2+]CC1)CNC2=O ZINC001218819601 774310292 /nfs/dbraw/zinc/31/02/92/774310292.db2.gz MGLSDWZBFJVLGO-CYBMUJFWSA-N 1 3 302.378 0.504 20 0 DCADHO COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218883145 774320070 /nfs/dbraw/zinc/32/00/70/774320070.db2.gz JNCFQHYTIYVGDG-SECBINFHSA-N 1 3 311.338 0.192 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218895357 774322059 /nfs/dbraw/zinc/32/20/59/774322059.db2.gz NGXJFHWEQNMQAO-QWRGUYRKSA-N 1 3 306.410 0.713 20 0 DCADHO Cc1ccc(C(N)=O)cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218913859 774324470 /nfs/dbraw/zinc/32/44/70/774324470.db2.gz POKJYDPKASAFQZ-MLGOLLRUSA-N 1 3 302.378 0.232 20 0 DCADHO COC(=O)c1c2n[nH]cc2ccc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218989678 774342478 /nfs/dbraw/zinc/34/24/78/774342478.db2.gz VZYIDSRRGFPFGJ-VIFPVBQESA-N 1 3 305.338 0.354 20 0 DCADHO O=C(Nc1ccc2c(c1)CCCC(=O)N2)[C@H]1C[NH2+]CC12CNC2 ZINC001219012670 774348147 /nfs/dbraw/zinc/34/81/47/774348147.db2.gz BNTFVPCPLFNYIE-CYBMUJFWSA-N 1 3 314.389 0.709 20 0 DCADHO COc1cc(NC(=O)[C@@H](N)CCC[NH3+])cc(-n2cncn2)c1 ZINC001219092928 774366695 /nfs/dbraw/zinc/36/66/95/774366695.db2.gz ZFJQWOJEXARMQH-ZDUSSCGKSA-N 1 3 304.354 0.281 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200634602 774380819 /nfs/dbraw/zinc/38/08/19/774380819.db2.gz HCJYRWBHLWPKBW-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(=O)N(C)C ZINC001201051967 774445340 /nfs/dbraw/zinc/44/53/40/774445340.db2.gz BUOMGAOGDVVKPG-DOMZBBRYSA-N 1 3 324.469 0.384 20 0 DCADHO CC(=O)Nc1ccc(O)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219530224 774524676 /nfs/dbraw/zinc/52/46/76/774524676.db2.gz PPZAHJZLMYCXND-LLVKDONJSA-N 1 3 304.350 0.098 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219645233 774571058 /nfs/dbraw/zinc/57/10/58/774571058.db2.gz JNXARASYOYLPQQ-AVGNSLFASA-N 1 3 313.442 0.668 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)COC)C1 ZINC001201931142 774572786 /nfs/dbraw/zinc/57/27/86/774572786.db2.gz INOCSNXMTKMZTB-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO Cc1cc(C)cc(OC[C@@H](C)NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219711338 774587214 /nfs/dbraw/zinc/58/72/14/774587214.db2.gz CETFLNSDYAPPKX-GDBMZVCRSA-N 1 3 317.433 0.996 20 0 DCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736777 774593783 /nfs/dbraw/zinc/59/37/83/774593783.db2.gz HCYXWXNCNHGQIN-HOTGVXAUSA-N 1 3 315.417 0.586 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202359057 774640532 /nfs/dbraw/zinc/64/05/32/774640532.db2.gz MDQPCJJMLUUKCS-OAHLLOKOSA-N 1 3 312.458 0.289 20 0 DCADHO COc1ccc(O[C@H](C)CNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001219945781 774653636 /nfs/dbraw/zinc/65/36/36/774653636.db2.gz SQFDIAOYVRDFEF-DOMZBBRYSA-N 1 3 319.405 0.388 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NCCc1nc(-c2ccccc2)no1 ZINC001219950443 774655154 /nfs/dbraw/zinc/65/51/54/774655154.db2.gz WNNWFJQXWMPJLK-GFCCVEGCSA-N 1 3 303.366 0.462 20 0 DCADHO NC(C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1)C(F)(F)F ZINC001220022381 774673472 /nfs/dbraw/zinc/67/34/72/774673472.db2.gz GHXATJOKNNAFCU-LLVKDONJSA-N 1 3 317.311 0.633 20 0 DCADHO COC(=O)C1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCCC1 ZINC001220048651 774680528 /nfs/dbraw/zinc/68/05/28/774680528.db2.gz TYRVZNSZGLAREK-GFCCVEGCSA-N 1 3 309.410 0.463 20 0 DCADHO COC(=O)C1(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCCC1 ZINC001220048651 774680531 /nfs/dbraw/zinc/68/05/31/774680531.db2.gz TYRVZNSZGLAREK-GFCCVEGCSA-N 1 3 309.410 0.463 20 0 DCADHO O=C(NCc1cc(Cl)nc(Cl)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220069686 774687043 /nfs/dbraw/zinc/68/70/43/774687043.db2.gz ITNURUYZLSCQIO-VIFPVBQESA-N 1 3 315.204 0.814 20 0 DCADHO Cc1ccc2c(CCNC(=O)[C@H]3C[NH2+]CC34CNC4)c[nH]c2c1 ZINC001220073847 774688566 /nfs/dbraw/zinc/68/85/66/774688566.db2.gz MJDPOEURWDKNII-OAHLLOKOSA-N 1 3 312.417 0.944 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220117665 774698192 /nfs/dbraw/zinc/69/81/92/774698192.db2.gz OTUCJZGZFWTQLP-ZBFHGGJFSA-N 1 3 323.437 0.471 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001202496259 774725433 /nfs/dbraw/zinc/72/54/33/774725433.db2.gz QRRSOWDGXXFIKC-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1cccc(C)c1CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272166 774751851 /nfs/dbraw/zinc/75/18/51/774751851.db2.gz RWBUAZJFAHLAAQ-SJORKVTESA-N 1 3 319.449 0.916 20 0 DCADHO N[C@@H]1C[NH2+][C@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC001220276599 774754787 /nfs/dbraw/zinc/75/47/87/774754787.db2.gz MYEQMJBWYOMSHK-GWCFXTLKSA-N 1 3 321.812 0.954 20 0 DCADHO CC1(C)C[NH2+][C@](C)(C(=O)NCc2ncn3c2CNCCC3)C1 ZINC001220311322 774766029 /nfs/dbraw/zinc/76/60/29/774766029.db2.gz MLTLPBVKQOLBQE-INIZCTEOSA-N 1 3 305.426 0.771 20 0 DCADHO COc1cc2c(cc1C)C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])C2 ZINC001220378577 774787619 /nfs/dbraw/zinc/78/76/19/774787619.db2.gz BSALXDHKXYMTEJ-KBPBESRZSA-N 1 3 323.462 0.606 20 0 DCADHO Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220492962 774825884 /nfs/dbraw/zinc/82/58/84/774825884.db2.gz ULRDBFIDYVHYKJ-ZDUSSCGKSA-N 1 3 311.430 0.578 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@@]2(CC)CCC[NH2+]C2)CCNC1 ZINC001220521596 774834610 /nfs/dbraw/zinc/83/46/10/774834610.db2.gz JPJWEFJLVLXYHQ-INIZCTEOSA-N 1 3 309.410 0.693 20 0 DCADHO O=C(NCc1cccc2ccnn21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220553290 774844840 /nfs/dbraw/zinc/84/48/40/774844840.db2.gz JYZMKJMNJOCRLP-OAHLLOKOSA-N 1 3 313.405 0.825 20 0 DCADHO O=C(NCc1cccc2ccnn21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220553290 774844849 /nfs/dbraw/zinc/84/48/49/774844849.db2.gz JYZMKJMNJOCRLP-OAHLLOKOSA-N 1 3 313.405 0.825 20 0 DCADHO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001220634846 774873016 /nfs/dbraw/zinc/87/30/16/774873016.db2.gz WJXKJQVDOZTNKO-KBPBESRZSA-N 1 3 309.435 0.818 20 0 DCADHO CSc1ncc(Cl)c(CNC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001220714180 774899368 /nfs/dbraw/zinc/89/93/68/774899368.db2.gz BBLORFRRTQSBOP-VIFPVBQESA-N 1 3 317.846 0.924 20 0 DCADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CN1CCCC[C@H](N)C1=O)C2 ZINC001220716901 774900998 /nfs/dbraw/zinc/90/09/98/774900998.db2.gz URVCQJHEQBGGDF-XQLPTFJDSA-N 1 3 322.453 0.458 20 0 DCADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CN1CCCC[C@H](N)C1=O)C2 ZINC001220716901 774901002 /nfs/dbraw/zinc/90/10/02/774901002.db2.gz URVCQJHEQBGGDF-XQLPTFJDSA-N 1 3 322.453 0.458 20 0 DCADHO COC1CCC(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001220754838 774909068 /nfs/dbraw/zinc/90/90/68/774909068.db2.gz RGDVLJWJHHJKRV-CLKYRPBMSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H](F)CCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806377 774921040 /nfs/dbraw/zinc/92/10/40/774921040.db2.gz ADSJHUWYXHRUPH-MJBXVCDLSA-N 1 3 303.422 0.628 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](CC)OC)C[C@@H]1O ZINC001220826238 774926634 /nfs/dbraw/zinc/92/66/34/774926634.db2.gz TXXCQYKWEBYAHV-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](CC)OC)C[C@@H]1O ZINC001220826238 774926637 /nfs/dbraw/zinc/92/66/37/774926637.db2.gz TXXCQYKWEBYAHV-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220860062 774938061 /nfs/dbraw/zinc/93/80/61/774938061.db2.gz YYDZZLIDZWRCMN-MNOVXSKESA-N 1 3 301.431 0.925 20 0 DCADHO O=C(N[C@@H]1CCCc2nccnc21)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220949244 774959694 /nfs/dbraw/zinc/95/96/94/774959694.db2.gz WEOGYQQVYXWWSY-ZIAGYGMSSA-N 1 3 315.421 0.844 20 0 DCADHO O=C(N[C@@H]1CCCc2nccnc21)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220949244 774959698 /nfs/dbraw/zinc/95/96/98/774959698.db2.gz WEOGYQQVYXWWSY-ZIAGYGMSSA-N 1 3 315.421 0.844 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC1(c2cnccn2)CC1 ZINC001220992517 774972835 /nfs/dbraw/zinc/97/28/35/774972835.db2.gz PAZUQLLCZLTWIX-ZDUSSCGKSA-N 1 3 305.426 0.684 20 0 DCADHO O=C(N[C@H](c1cncc(F)c1)C1CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221049087 774985489 /nfs/dbraw/zinc/98/54/89/774985489.db2.gz LXPZZZFRVCAMQU-KGLIPLIRSA-N 1 3 304.369 0.597 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)NC1CC1 ZINC001202674294 774985958 /nfs/dbraw/zinc/98/59/58/774985958.db2.gz RYUBYYPFKVGTEX-NSHDSACASA-N 1 3 319.409 0.200 20 0 DCADHO O=C(NC1(c2cnccn2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221082107 774991674 /nfs/dbraw/zinc/99/16/74/774991674.db2.gz HSAAYLYIKAFTJA-LBPRGKRZSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NC1(c2cnccn2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221082107 774991677 /nfs/dbraw/zinc/99/16/77/774991677.db2.gz HSAAYLYIKAFTJA-LBPRGKRZSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NCc1ccnn1CCF)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221105911 774996642 /nfs/dbraw/zinc/99/66/42/774996642.db2.gz GCWMRAQKMGIFHC-CYBMUJFWSA-N 1 3 309.389 0.343 20 0 DCADHO O=C(NCc1ccnn1CCF)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221105911 774996646 /nfs/dbraw/zinc/99/66/46/774996646.db2.gz GCWMRAQKMGIFHC-CYBMUJFWSA-N 1 3 309.389 0.343 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccnn1CCF ZINC001221108543 774998383 /nfs/dbraw/zinc/99/83/83/774998383.db2.gz YQDDOEDLBWCVKE-AWEZNQCLSA-N 1 3 313.421 0.964 20 0 DCADHO CCCC(C[NH3+])(CCC)NC(=O)CNC(=O)[C@@H](N)CC(C)C ZINC001221371983 775078836 /nfs/dbraw/zinc/07/88/36/775078836.db2.gz JKEZKVIBDLROEC-ZDUSSCGKSA-N 1 3 314.474 0.890 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221390245 775082191 /nfs/dbraw/zinc/08/21/91/775082191.db2.gz CGFOZSPNXVRXQA-IUODEOHRSA-N 1 3 304.438 0.943 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001221396433 775085899 /nfs/dbraw/zinc/08/58/99/775085899.db2.gz BBVXVRACXHSMQO-ZDUSSCGKSA-N 1 3 319.434 0.712 20 0 DCADHO COc1cnccc1[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221410654 775093263 /nfs/dbraw/zinc/09/32/63/775093263.db2.gz WSTLHICLIZGOGS-DZGCQCFKSA-N 1 3 316.405 0.467 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557425 775149574 /nfs/dbraw/zinc/14/95/74/775149574.db2.gz JAMFOLVCEQFMFN-IXDOHACOSA-N 1 3 321.465 0.897 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001222789228 775427603 /nfs/dbraw/zinc/42/76/03/775427603.db2.gz IJRAVPLQPJAJBM-ILXRZTDVSA-N 1 3 315.433 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001222789228 775427606 /nfs/dbraw/zinc/42/76/06/775427606.db2.gz IJRAVPLQPJAJBM-ILXRZTDVSA-N 1 3 315.433 0.581 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001223425543 775489617 /nfs/dbraw/zinc/48/96/17/775489617.db2.gz WTHXUGCFSZGLDF-CABCVRRESA-N 1 3 320.441 0.153 20 0 DCADHO CNC(=O)[C@H](C)N1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223472730 775493415 /nfs/dbraw/zinc/49/34/15/775493415.db2.gz ULGYLJRIAPSVEY-SWLSCSKDSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226801124 775877513 /nfs/dbraw/zinc/87/75/13/775877513.db2.gz SMYKMZOYVWFBIA-FMKPAKJESA-N 1 3 324.469 0.480 20 0 DCADHO Cc1noc(CCCN2CCC(NC(=O)CC[NH+](C)C)CC2)n1 ZINC001228999141 776145816 /nfs/dbraw/zinc/14/58/16/776145816.db2.gz NUYSLQVHKLRRJP-UHFFFAOYSA-N 1 3 323.441 0.843 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001229933407 776237703 /nfs/dbraw/zinc/23/77/03/776237703.db2.gz NQHJKHXNJRCZQF-ZIAGYGMSSA-N 1 3 324.425 0.287 20 0 DCADHO C[NH+](C)CCOCC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001230035324 776245269 /nfs/dbraw/zinc/24/52/69/776245269.db2.gz SITFPSLCZJDLEF-UHFFFAOYSA-N 1 3 323.441 0.042 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001278032631 945107935 /nfs/dbraw/zinc/10/79/35/945107935.db2.gz VBKKKOKGVKCZJG-HNNXBMFYSA-N 1 3 310.486 0.990 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001278032631 945107942 /nfs/dbraw/zinc/10/79/42/945107942.db2.gz VBKKKOKGVKCZJG-HNNXBMFYSA-N 1 3 310.486 0.990 20 0 DCADHO CN(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]21 ZINC001278049165 945117706 /nfs/dbraw/zinc/11/77/06/945117706.db2.gz VGXZPOUMBLVGHM-GXTWGEPZSA-N 1 3 319.409 0.280 20 0 DCADHO CN(C)CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]21 ZINC001278049165 945117710 /nfs/dbraw/zinc/11/77/10/945117710.db2.gz VGXZPOUMBLVGHM-GXTWGEPZSA-N 1 3 319.409 0.280 20 0 DCADHO CN(C)CCC[N@@H+]1CCCC2(CN(C(=O)c3ncnn3C)C2)C1 ZINC001278048360 945117797 /nfs/dbraw/zinc/11/77/97/945117797.db2.gz NAHYRIPOPMUTIX-UHFFFAOYSA-N 1 3 320.441 0.305 20 0 DCADHO CN(C)CCC[N@H+]1CCCC2(CN(C(=O)c3ncnn3C)C2)C1 ZINC001278048360 945117802 /nfs/dbraw/zinc/11/78/02/945117802.db2.gz NAHYRIPOPMUTIX-UHFFFAOYSA-N 1 3 320.441 0.305 20 0 DCADHO CN(C)C(=O)CN1CC[C@]2(C1)CCC[N@H+](CCN1CCCC1)C2 ZINC001278055973 945118695 /nfs/dbraw/zinc/11/86/95/945118695.db2.gz QAJUGPGMMKYAMS-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CN(C)C(=O)CN1CC[C@]2(C1)CCC[N@@H+](CCN1CCCC1)C2 ZINC001278055973 945118700 /nfs/dbraw/zinc/11/87/00/945118700.db2.gz QAJUGPGMMKYAMS-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO COc1cc(CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001267071755 939331427 /nfs/dbraw/zinc/33/14/27/939331427.db2.gz JHSYZZBWCKNVTD-AWEZNQCLSA-N 1 3 306.410 0.590 20 0 DCADHO COc1cc(CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001267071755 939331430 /nfs/dbraw/zinc/33/14/30/939331430.db2.gz JHSYZZBWCKNVTD-AWEZNQCLSA-N 1 3 306.410 0.590 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408594643 939410820 /nfs/dbraw/zinc/41/08/20/939410820.db2.gz AWVNYCSZKNOFKZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408594643 939410822 /nfs/dbraw/zinc/41/08/22/939410822.db2.gz AWVNYCSZKNOFKZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNCC(=O)N1CCCCCC1)C(=O)CC[NH+](C)C ZINC001267424637 939453402 /nfs/dbraw/zinc/45/34/02/939453402.db2.gz XGVKTUJGHXJQMI-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)CC(F)(F)F)C(=O)[C@@H]1CCCN1C ZINC001481215536 939642072 /nfs/dbraw/zinc/64/20/72/939642072.db2.gz KKOXCRLNWLULHT-QWRGUYRKSA-N 1 3 311.348 0.442 20 0 DCADHO CCCN(C)CC(=O)NCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001408775633 939642535 /nfs/dbraw/zinc/64/25/35/939642535.db2.gz JYWBUHQGYXWMCZ-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001481228465 939654526 /nfs/dbraw/zinc/65/45/26/939654526.db2.gz FPXDXYAXKOURNS-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001481228465 939654528 /nfs/dbraw/zinc/65/45/28/939654528.db2.gz FPXDXYAXKOURNS-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001481276930 939698117 /nfs/dbraw/zinc/69/81/17/939698117.db2.gz ICWYMADRXLXNLV-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCc1cnn(C)c1)N(C)C ZINC001481306337 939736611 /nfs/dbraw/zinc/73/66/11/939736611.db2.gz MNNULNYCKWVSKX-HNNXBMFYSA-N 1 3 309.458 0.597 20 0 DCADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001496444717 939973222 /nfs/dbraw/zinc/97/32/22/939973222.db2.gz BCRNTIPTPXLCHQ-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cncn1C ZINC001481819506 940149332 /nfs/dbraw/zinc/14/93/32/940149332.db2.gz XWEKPJDCBNNVBW-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(CCNCC(=O)NC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001268493695 940189578 /nfs/dbraw/zinc/18/95/78/940189578.db2.gz ZCNYEWPWNSDSSA-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001268539065 940224132 /nfs/dbraw/zinc/22/41/32/940224132.db2.gz PUOJDGVQJHFUIG-SZZPACECSA-N 1 3 310.442 0.387 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001268558757 940235288 /nfs/dbraw/zinc/23/52/88/940235288.db2.gz OASTXUVPZCCVEP-MEJMFZKBSA-N 1 3 324.469 0.775 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001268558757 940235290 /nfs/dbraw/zinc/23/52/90/940235290.db2.gz OASTXUVPZCCVEP-MEJMFZKBSA-N 1 3 324.469 0.775 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](O)CNC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245989072 945306398 /nfs/dbraw/zinc/30/63/98/945306398.db2.gz XNWVIGKXKYPUJE-OLZOCXBDSA-N 1 3 313.442 0.153 20 0 DCADHO CC(C)(C)OC(=O)[C@H](O)CNC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001245989074 945307957 /nfs/dbraw/zinc/30/79/57/945307957.db2.gz XNWVIGKXKYPUJE-QWHCGFSZSA-N 1 3 313.442 0.153 20 0 DCADHO O[C@@H](CNC1CN(C2CC[NH2+]CC2)C1)COc1ccccc1 ZINC001245989836 945308037 /nfs/dbraw/zinc/30/80/37/945308037.db2.gz OODRAEICCIFRHW-INIZCTEOSA-N 1 3 305.422 0.452 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N(C)C ZINC001268613595 940299900 /nfs/dbraw/zinc/29/99/00/940299900.db2.gz OHCIXZYWARUJIX-BUHQSOCUSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001268613595 940299901 /nfs/dbraw/zinc/29/99/01/940299901.db2.gz OHCIXZYWARUJIX-BUHQSOCUSA-N 1 3 310.442 0.067 20 0 DCADHO Cc1nnsc1C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001268949896 940416089 /nfs/dbraw/zinc/41/60/89/940416089.db2.gz DUBUMSDSBHESQU-UHFFFAOYSA-N 1 3 311.455 0.880 20 0 DCADHO O[C@@]1(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]C1 ZINC001246045133 945327138 /nfs/dbraw/zinc/32/71/38/945327138.db2.gz KCZKZTBJICAJQL-ZACQAIPSSA-N 1 3 307.413 0.913 20 0 DCADHO COC(=O)C1(C)CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246079308 945335234 /nfs/dbraw/zinc/33/52/34/945335234.db2.gz DIGVJVXCCNLOLE-UWNPBFMXSA-N 1 3 302.390 0.760 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338690 941005077 /nfs/dbraw/zinc/00/50/77/941005077.db2.gz JJOVLGQYVKLXRC-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338843 941005589 /nfs/dbraw/zinc/00/55/89/941005589.db2.gz KTUFFKFLLYVNCP-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)CC(=O)N1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001271084831 941255290 /nfs/dbraw/zinc/25/52/90/941255290.db2.gz QWOSFFGUCCKLEC-QGZVFWFLSA-N 1 3 310.486 0.814 20 0 DCADHO CCN(C)CC(=O)N1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001271084831 941255293 /nfs/dbraw/zinc/25/52/93/941255293.db2.gz QWOSFFGUCCKLEC-QGZVFWFLSA-N 1 3 310.486 0.814 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001482475868 941306950 /nfs/dbraw/zinc/30/69/50/941306950.db2.gz ZWTZHEOBDUONHM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001482554226 941493301 /nfs/dbraw/zinc/49/33/01/941493301.db2.gz RMXZXZMOECOSHI-UKRRQHHQSA-N 1 3 324.469 0.337 20 0 DCADHO CN1CCN(CCCC(=O)N2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)CC1 ZINC001272018485 941526135 /nfs/dbraw/zinc/52/61/35/941526135.db2.gz YRYXBSDDJOOIBK-CALCHBBNSA-N 1 3 322.497 0.814 20 0 DCADHO CN1CCN(CCCC(=O)N2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)CC1 ZINC001272018485 941526138 /nfs/dbraw/zinc/52/61/38/941526138.db2.gz YRYXBSDDJOOIBK-CALCHBBNSA-N 1 3 322.497 0.814 20 0 DCADHO CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001424238531 941589314 /nfs/dbraw/zinc/58/93/14/941589314.db2.gz LCCCIWIKIIMHBK-ZIAGYGMSSA-N 1 3 303.422 0.892 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1)N(C)C ZINC001482787152 941670596 /nfs/dbraw/zinc/67/05/96/941670596.db2.gz IWSUGRFFNQSJMY-HOTGVXAUSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482871795 941695109 /nfs/dbraw/zinc/69/51/09/941695109.db2.gz SBXHBOCXGPRFCY-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC[NH2+][C@@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CCCCN1C ZINC001482933669 941716789 /nfs/dbraw/zinc/71/67/89/941716789.db2.gz LVPSKZMJXCNMNW-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001483009674 941773869 /nfs/dbraw/zinc/77/38/69/941773869.db2.gz VKKODYLIJPKYOG-XXWFEYIXSA-N 1 3 310.442 0.065 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001483009674 941773872 /nfs/dbraw/zinc/77/38/72/941773872.db2.gz VKKODYLIJPKYOG-XXWFEYIXSA-N 1 3 310.442 0.065 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001483060300 941817136 /nfs/dbraw/zinc/81/71/36/941817136.db2.gz HWGKLRGFZQBLNL-TYHIMRJMSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001483060300 941817143 /nfs/dbraw/zinc/81/71/43/941817143.db2.gz HWGKLRGFZQBLNL-TYHIMRJMSA-N 1 3 322.453 0.257 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001483093347 941840864 /nfs/dbraw/zinc/84/08/64/941840864.db2.gz PJJWWNAJRVZBDJ-VQGNRHNMSA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001483093347 941840865 /nfs/dbraw/zinc/84/08/65/941840865.db2.gz PJJWWNAJRVZBDJ-VQGNRHNMSA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001483135957 941902157 /nfs/dbraw/zinc/90/21/57/941902157.db2.gz XTKYYJFUSOSDDF-KGLIPLIRSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001483494048 942385993 /nfs/dbraw/zinc/38/59/93/942385993.db2.gz ADRGBJHNCZPBNE-XJKSGUPXSA-N 1 3 306.410 0.817 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001483504138 942392439 /nfs/dbraw/zinc/39/24/39/942392439.db2.gz GMEUAZHHHUUWMD-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066215 942424276 /nfs/dbraw/zinc/42/42/76/942424276.db2.gz JXKCHDKGXAQPRX-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066215 942424277 /nfs/dbraw/zinc/42/42/77/942424277.db2.gz JXKCHDKGXAQPRX-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483601121 942453656 /nfs/dbraw/zinc/45/36/56/942453656.db2.gz MVKBDDPJCIGWIZ-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001483598523 942456155 /nfs/dbraw/zinc/45/61/55/942456155.db2.gz NKNRSLUKPBCAPK-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001483598523 942456161 /nfs/dbraw/zinc/45/61/61/942456161.db2.gz NKNRSLUKPBCAPK-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483601786 942456911 /nfs/dbraw/zinc/45/69/11/942456911.db2.gz QGJZLQAUGKZBNC-OAHLLOKOSA-N 1 3 317.437 0.500 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1cn(C)nn1 ZINC001483622398 942555273 /nfs/dbraw/zinc/55/52/73/942555273.db2.gz SUCABXUKUWQRMQ-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001272565366 942827952 /nfs/dbraw/zinc/82/79/52/942827952.db2.gz LRLSOULZRCYCII-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO COCCC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484225122 943220765 /nfs/dbraw/zinc/22/07/65/943220765.db2.gz WWIVRYIXVWGYGD-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO COCCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001484225122 943220771 /nfs/dbraw/zinc/22/07/71/943220771.db2.gz WWIVRYIXVWGYGD-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC(C)C2)C1 ZINC001484248487 943261102 /nfs/dbraw/zinc/26/11/02/943261102.db2.gz NJROPUNYNUASBC-AJUCZRQESA-N 1 3 320.437 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@H+](CC2CC(C)C2)C1 ZINC001484248487 943261106 /nfs/dbraw/zinc/26/11/06/943261106.db2.gz NJROPUNYNUASBC-AJUCZRQESA-N 1 3 320.437 0.860 20 0 DCADHO CO[C@H](C)CN1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001484444295 943390688 /nfs/dbraw/zinc/39/06/88/943390688.db2.gz SGNYDKVMUJXNMX-ZBFHGGJFSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001484663397 943499130 /nfs/dbraw/zinc/49/91/30/943499130.db2.gz SBFYNCXSYWDEMJ-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)OCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001484689960 943511148 /nfs/dbraw/zinc/51/11/48/943511148.db2.gz JKWLNGLKPDBUQD-AWEZNQCLSA-N 1 3 310.398 0.194 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCc2cncn2C)C1 ZINC001484693732 943514154 /nfs/dbraw/zinc/51/41/54/943514154.db2.gz JBEJMWGRXUTYTD-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCc2cncn2C)C1 ZINC001484693732 943514159 /nfs/dbraw/zinc/51/41/59/943514159.db2.gz JBEJMWGRXUTYTD-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001484904124 943621198 /nfs/dbraw/zinc/62/11/98/943621198.db2.gz IXKXRUCGWUTZLL-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC2CC2)[C@@H](C)C1 ZINC001484905904 943622379 /nfs/dbraw/zinc/62/23/79/943622379.db2.gz POFVASSFYKEISO-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1)N(C)C ZINC001490948032 943684782 /nfs/dbraw/zinc/68/47/82/943684782.db2.gz IBPQTDXBKUUUPY-LPWJVIDDSA-N 1 3 319.396 0.988 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001490949277 943685926 /nfs/dbraw/zinc/68/59/26/943685926.db2.gz FHICMFHZIRBQLL-SHTZXODSSA-N 1 3 324.469 0.624 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001485102910 943692881 /nfs/dbraw/zinc/69/28/81/943692881.db2.gz WVLRWESKYYMJIT-JXQTWKCFSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001491026079 943715778 /nfs/dbraw/zinc/71/57/78/943715778.db2.gz TZJONRPYNOVPOB-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485198184 943742865 /nfs/dbraw/zinc/74/28/65/943742865.db2.gz GWYDUMRJLIHUPZ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001491251157 943866396 /nfs/dbraw/zinc/86/63/96/943866396.db2.gz GYRZNUNBSCCRMK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001491476860 944031386 /nfs/dbraw/zinc/03/13/86/944031386.db2.gz DDYPCABZKAUXPI-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NCCF)C1 ZINC001485650556 944052988 /nfs/dbraw/zinc/05/29/88/944052988.db2.gz WXTIJYPBKSPOMW-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NCCF)C1 ZINC001485650556 944052996 /nfs/dbraw/zinc/05/29/96/944052996.db2.gz WXTIJYPBKSPOMW-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc[nH]c3=O)C2)C1=O ZINC001272795214 944230001 /nfs/dbraw/zinc/23/00/01/944230001.db2.gz ZKFUTXFWOVLNEA-QGZVFWFLSA-N 1 3 318.421 0.773 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc[nH]c3=O)C2)C1=O ZINC001272795214 944230008 /nfs/dbraw/zinc/23/00/08/944230008.db2.gz ZKFUTXFWOVLNEA-QGZVFWFLSA-N 1 3 318.421 0.773 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)C1(N(C)C)CCC1 ZINC001272832248 944265495 /nfs/dbraw/zinc/26/54/95/944265495.db2.gz ZCATYCWREHOIJR-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485835049 944272683 /nfs/dbraw/zinc/27/26/83/944272683.db2.gz TYCPRLZXVVGOIX-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485835049 944272694 /nfs/dbraw/zinc/27/26/94/944272694.db2.gz TYCPRLZXVVGOIX-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCCF)C1 ZINC001276822578 944315618 /nfs/dbraw/zinc/31/56/18/944315618.db2.gz YXNIQQDPEKSFED-KBPBESRZSA-N 1 3 303.422 0.892 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N1CCCC1 ZINC001485856423 944347055 /nfs/dbraw/zinc/34/70/55/944347055.db2.gz RREZDDPICGHPML-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)NCC(N)=O ZINC001485904055 944393696 /nfs/dbraw/zinc/39/36/96/944393696.db2.gz DMIOGRFVWCWJNM-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N(C)C ZINC001485908844 944397534 /nfs/dbraw/zinc/39/75/34/944397534.db2.gz YZMLYPMQGRHLII-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC)C1 ZINC001485912159 944400336 /nfs/dbraw/zinc/40/03/36/944400336.db2.gz MIVHIPPSXPJWPS-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC)C1 ZINC001485912159 944400338 /nfs/dbraw/zinc/40/03/38/944400338.db2.gz MIVHIPPSXPJWPS-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485955150 944412424 /nfs/dbraw/zinc/41/24/24/944412424.db2.gz GETRJIVKAHDVFO-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485955150 944412429 /nfs/dbraw/zinc/41/24/29/944412429.db2.gz GETRJIVKAHDVFO-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001485929878 944415264 /nfs/dbraw/zinc/41/52/64/944415264.db2.gz HAXWILMSNSQKLI-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C[C@@H]1C ZINC001486127087 944604602 /nfs/dbraw/zinc/60/46/02/944604602.db2.gz FBAJMJPNIKLZKT-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)C(=O)NC ZINC001316901188 944629240 /nfs/dbraw/zinc/62/92/40/944629240.db2.gz BALJXZLAZOWQNT-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)CC1 ZINC001316919095 944648050 /nfs/dbraw/zinc/64/80/50/944648050.db2.gz CHHOKUQUFQPFRO-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)N1CCCC1 ZINC001486407772 944862274 /nfs/dbraw/zinc/86/22/74/944862274.db2.gz WAMKXNBCBCJGCU-LBPRGKRZSA-N 1 3 312.458 0.467 20 0 DCADHO COCCCN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277700764 944951212 /nfs/dbraw/zinc/95/12/12/944951212.db2.gz LNDNCFVYVHGXQD-HNNXBMFYSA-N 1 3 309.454 0.897 20 0 DCADHO CN(C)C(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]2O)N1CC1CC[NH+](C)CC1 ZINC001277796559 944981559 /nfs/dbraw/zinc/98/15/59/944981559.db2.gz GJEGLSKKGPCOLA-JJXSEGSLSA-N 1 3 309.454 0.630 20 0 DCADHO CC(=O)NCC[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001277910721 945034725 /nfs/dbraw/zinc/03/47/25/945034725.db2.gz VJWGOGWPTSQMGF-UHFFFAOYSA-N 1 3 305.426 0.834 20 0 DCADHO CC(=O)NCCN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277910721 945034732 /nfs/dbraw/zinc/03/47/32/945034732.db2.gz VJWGOGWPTSQMGF-UHFFFAOYSA-N 1 3 305.426 0.834 20 0 DCADHO CC(=O)NCCN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277910721 945034741 /nfs/dbraw/zinc/03/47/41/945034741.db2.gz VJWGOGWPTSQMGF-UHFFFAOYSA-N 1 3 305.426 0.834 20 0 DCADHO COC(=O)C1C[C@@H]2CC([NH2+][C@@H](C)[C@H]3CNCCO3)C[C@H](C1)N2 ZINC001246288304 945376475 /nfs/dbraw/zinc/37/64/75/945376475.db2.gz ANRQSLKNRAVFJN-YVJWCDAJSA-N 1 3 311.426 0.025 20 0 DCADHO COCCC1(N[C@@H]2CC[NH2+][C@@H](C)C2)CCS(=O)(=O)CC1 ZINC001246391856 945402450 /nfs/dbraw/zinc/40/24/50/945402450.db2.gz PKKWQMMMWJYGQM-QWHCGFSZSA-N 1 3 304.456 0.700 20 0 DCADHO COCCC1([NH2+][C@@H]2CCN[C@@H](C)C2)CCS(=O)(=O)CC1 ZINC001246391856 945402455 /nfs/dbraw/zinc/40/24/55/945402455.db2.gz PKKWQMMMWJYGQM-QWHCGFSZSA-N 1 3 304.456 0.700 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH+]2CCC(C3=CC=C(N)CN3)CC2)CCN1 ZINC001246496224 945418996 /nfs/dbraw/zinc/41/89/96/945418996.db2.gz SZOXTJZMKBAXDB-ZBFHGGJFSA-N 1 3 320.437 0.322 20 0 DCADHO O=C([C@H]1COC[C@H]2CN([C@@H]3CCC[NH2+]C3)C[C@H]21)N1CCCCO1 ZINC001246686592 945460584 /nfs/dbraw/zinc/46/05/84/945460584.db2.gz MFBINPYMDYRQIX-FPCVCCKLSA-N 1 3 323.437 0.487 20 0 DCADHO C[C@@H]1C[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CC[NH2+]1 ZINC001246710481 945467227 /nfs/dbraw/zinc/46/72/27/945467227.db2.gz WSZFKVBDEFKFRQ-CHWSQXEVSA-N 1 3 315.421 0.854 20 0 DCADHO O=C(NC[C@]12COC[C@H]1C[N@@H+](C1CCNCC1)C2)N1CCCC1 ZINC001246715242 945471036 /nfs/dbraw/zinc/47/10/36/945471036.db2.gz ALCNLFJXHYCJFU-PBHICJAKSA-N 1 3 322.453 0.492 20 0 DCADHO O=C(NC[C@]12COC[C@H]1C[N@H+](C1CCNCC1)C2)N1CCCC1 ZINC001246715242 945471041 /nfs/dbraw/zinc/47/10/41/945471041.db2.gz ALCNLFJXHYCJFU-PBHICJAKSA-N 1 3 322.453 0.492 20 0 DCADHO CCN1CC[C@@]2(CCCN([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246758238 945484632 /nfs/dbraw/zinc/48/46/32/945484632.db2.gz SGOMOQNNQPYKBX-GOEBONIOSA-N 1 3 306.454 0.415 20 0 DCADHO FC1(F)CCN(C2CN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1 ZINC001246818242 945495705 /nfs/dbraw/zinc/49/57/05/945495705.db2.gz BBXRLFFUFKDDLK-GFCCVEGCSA-N 1 3 300.397 0.496 20 0 DCADHO COCCC[N@H+](C1CCNCC1)[C@@H]1CCN[C@H](C(=O)OC)C1 ZINC001246836633 945501433 /nfs/dbraw/zinc/50/14/33/945501433.db2.gz OGONHSPZUVVHBN-CABCVRRESA-N 1 3 313.442 0.371 20 0 DCADHO COCCC[N@@H+](C1CCNCC1)[C@@H]1CCN[C@H](C(=O)OC)C1 ZINC001246836633 945501440 /nfs/dbraw/zinc/50/14/40/945501440.db2.gz OGONHSPZUVVHBN-CABCVRRESA-N 1 3 313.442 0.371 20 0 DCADHO O=C(c1ccco1)N1CCCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246851554 945505863 /nfs/dbraw/zinc/50/58/63/945505863.db2.gz KYOFYXIODUMRBS-CQSZACIVSA-N 1 3 318.421 0.522 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246973658 945531968 /nfs/dbraw/zinc/53/19/68/945531968.db2.gz HOMVULNANDGHKC-HLLBOEOZSA-N 1 3 324.469 0.168 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246973661 945532618 /nfs/dbraw/zinc/53/26/18/945532618.db2.gz HOMVULNANDGHKC-ZMSDIMECSA-N 1 3 324.469 0.168 20 0 DCADHO C[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]C[C@H]1O ZINC001247826601 945577103 /nfs/dbraw/zinc/57/71/03/945577103.db2.gz HLAOJCACIUYHKW-CJNGLKHVSA-N 1 3 315.377 0.389 20 0 DCADHO COc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)c(F)c1 ZINC001247852905 945579134 /nfs/dbraw/zinc/57/91/34/945579134.db2.gz WSLUVFBTYNRLJR-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO c1cc(-c2noc([C@H]3C[C@@H]4C[NH2+]C[C@@H]4O3)n2)nc2c1CNCC2 ZINC001247910703 945582843 /nfs/dbraw/zinc/58/28/43/945582843.db2.gz HSJGHDUNAWUQAZ-HONMWMINSA-N 1 3 313.361 0.827 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cncn1C)N(C)C ZINC001320545349 945917788 /nfs/dbraw/zinc/91/77/88/945917788.db2.gz WJGHJPQCYXGBNJ-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO COC(=O)[C@@H](O)C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001252444674 945932940 /nfs/dbraw/zinc/93/29/40/945932940.db2.gz VHHUCZWQPAUVAD-HNNXBMFYSA-N 1 3 307.394 0.417 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001320644013 945961638 /nfs/dbraw/zinc/96/16/38/945961638.db2.gz IZHJXRZXCRGDIG-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001410205804 946031731 /nfs/dbraw/zinc/03/17/31/946031731.db2.gz CGWJODGGHGKCHH-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001410233087 946069005 /nfs/dbraw/zinc/06/90/05/946069005.db2.gz GGWHXGSLQMJCOC-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001410232111 946069495 /nfs/dbraw/zinc/06/94/95/946069495.db2.gz YAAXRDXTKMODAU-KBUPBQIOSA-N 1 3 324.469 0.288 20 0 DCADHO COc1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC001253957437 946209328 /nfs/dbraw/zinc/20/93/28/946209328.db2.gz HNBJTXVRYXETOX-QLFBSQMISA-N 1 3 306.406 0.928 20 0 DCADHO COc1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC001253957437 946209337 /nfs/dbraw/zinc/20/93/37/946209337.db2.gz HNBJTXVRYXETOX-QLFBSQMISA-N 1 3 306.406 0.928 20 0 DCADHO CN1CCC[C@@H](NC/C=C/CNC(=O)CCC[NH+](C)C)C1=O ZINC001321224479 946224487 /nfs/dbraw/zinc/22/44/87/946224487.db2.gz ZXZWTQOGSZWFLF-ISZGNANSSA-N 1 3 310.442 0.211 20 0 DCADHO O=C1NC[C@H](C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)O1 ZINC001254055511 946225998 /nfs/dbraw/zinc/22/59/98/946225998.db2.gz RDUJTCGFJGOYRR-HNNXBMFYSA-N 1 3 319.405 0.712 20 0 DCADHO CN(C)CCCN(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001254337209 946362412 /nfs/dbraw/zinc/36/24/12/946362412.db2.gz OAFMXOUEEKEPSF-CQSZACIVSA-N 1 3 305.488 0.379 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCCOC1)CC2 ZINC001254381380 946376087 /nfs/dbraw/zinc/37/60/87/946376087.db2.gz UTIRGPFYYVGWGV-MRXNPFEDSA-N 1 3 319.449 0.990 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCCOC1)CC2 ZINC001254381380 946376098 /nfs/dbraw/zinc/37/60/98/946376098.db2.gz UTIRGPFYYVGWGV-MRXNPFEDSA-N 1 3 319.449 0.990 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC001254528948 946406323 /nfs/dbraw/zinc/40/63/23/946406323.db2.gz BCSIFYKZYRXAJL-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC001254528948 946406329 /nfs/dbraw/zinc/40/63/29/946406329.db2.gz BCSIFYKZYRXAJL-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001414069587 946407355 /nfs/dbraw/zinc/40/73/55/946407355.db2.gz AVDNWFPVHYWCLM-RBSFLKMASA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1cnn(C)c1)[NH+](C)C ZINC001410474376 946464317 /nfs/dbraw/zinc/46/43/17/946464317.db2.gz MVCCONJWBFWJGX-ZFWWWQNUSA-N 1 3 309.458 0.943 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001410481795 946475920 /nfs/dbraw/zinc/47/59/20/946475920.db2.gz YCSLMJPEGXSCBO-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO [NH3+]CCS(=O)(=O)N[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383239 946494716 /nfs/dbraw/zinc/49/47/16/946494716.db2.gz GWVHRKNBQHSVIB-HNNXBMFYSA-N 1 3 311.451 0.919 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@@H]1CCC[N@H+](C)C1)CCC2 ZINC001255485456 946514365 /nfs/dbraw/zinc/51/43/65/946514365.db2.gz OZICWCLJHTYHAT-OAHLLOKOSA-N 1 3 319.453 0.605 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC001255485456 946514371 /nfs/dbraw/zinc/51/43/71/946514371.db2.gz OZICWCLJHTYHAT-OAHLLOKOSA-N 1 3 319.453 0.605 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CCC(C)(C)C1 ZINC001410614630 946655126 /nfs/dbraw/zinc/65/51/26/946655126.db2.gz DNBACYUYUOQPFQ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1noc(CCC[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001322442907 946679991 /nfs/dbraw/zinc/67/99/91/946679991.db2.gz PVQFZSLVQLYEMY-AWEZNQCLSA-N 1 3 323.441 0.843 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CCn1cncn1)C(C)(C)C)N(C)C ZINC001279001903 946709430 /nfs/dbraw/zinc/70/94/30/946709430.db2.gz HCIXENDXFVLLNZ-UONOGXRCSA-N 1 3 324.473 0.739 20 0 DCADHO CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001322543916 946715803 /nfs/dbraw/zinc/71/58/03/946715803.db2.gz OOAQNIZEHZLQOR-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN1CCC(N([C@@H]2CCC[NH2+]C2)S(C)(=O)=O)CC1 ZINC001258776976 946861358 /nfs/dbraw/zinc/86/13/58/946861358.db2.gz KBVWGJZOSFIFPR-CQSZACIVSA-N 1 3 303.472 0.874 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)C2CC[NH+](C)CC2)CC1)N(C)C ZINC001410766321 946909372 /nfs/dbraw/zinc/90/93/72/946909372.db2.gz KDDSLHGVFZYIKS-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN(C)C1CCC1 ZINC001410865903 947052310 /nfs/dbraw/zinc/05/23/10/947052310.db2.gz OJUYXSMXKKZVAB-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001410978616 947188172 /nfs/dbraw/zinc/18/81/72/947188172.db2.gz ZSPYKVFBIWVPSC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC(=O)N(C)C)C(C)(C)C2)C1 ZINC001410987791 947197858 /nfs/dbraw/zinc/19/78/58/947197858.db2.gz OJRJUJYEGJXHHM-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001411036391 947258121 /nfs/dbraw/zinc/25/81/21/947258121.db2.gz NYEWUIBUDDXJRW-INIZCTEOSA-N 1 3 321.425 0.401 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001411036391 947258127 /nfs/dbraw/zinc/25/81/27/947258127.db2.gz NYEWUIBUDDXJRW-INIZCTEOSA-N 1 3 321.425 0.401 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC001325356293 947767212 /nfs/dbraw/zinc/76/72/12/947767212.db2.gz OCFKGYYNTPSMDI-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001325378657 947772121 /nfs/dbraw/zinc/77/21/21/947772121.db2.gz GLCIMZQTNMSZHN-UHFFFAOYSA-N 1 3 318.421 0.314 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001325628337 947861189 /nfs/dbraw/zinc/86/11/89/947861189.db2.gz CBKNQXBMHYGUIC-QDMKHBRRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001179586402 947870663 /nfs/dbraw/zinc/87/06/63/947870663.db2.gz NWRQQSIYHQEPCT-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC001325744640 947907213 /nfs/dbraw/zinc/90/72/13/947907213.db2.gz AICQAFYTQBXYRP-CYBMUJFWSA-N 1 3 300.447 0.147 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1 ZINC001193639539 948011578 /nfs/dbraw/zinc/01/15/78/948011578.db2.gz ANWSFKFWEOERNP-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC001193639539 948011587 /nfs/dbraw/zinc/01/15/87/948011587.db2.gz ANWSFKFWEOERNP-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC2(CCC2)C1 ZINC001326749085 948266579 /nfs/dbraw/zinc/26/65/79/948266579.db2.gz FUHMARLJPWOGRM-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001487780451 948271313 /nfs/dbraw/zinc/27/13/13/948271313.db2.gz FQGVATPGFXEOSA-DGCLKSJQSA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001487780451 948271318 /nfs/dbraw/zinc/27/13/18/948271318.db2.gz FQGVATPGFXEOSA-DGCLKSJQSA-N 1 3 321.425 0.175 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001487921728 948358637 /nfs/dbraw/zinc/35/86/37/948358637.db2.gz VSJSYXKZAAIBAZ-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001487921728 948358646 /nfs/dbraw/zinc/35/86/46/948358646.db2.gz VSJSYXKZAAIBAZ-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001487921729 948359337 /nfs/dbraw/zinc/35/93/37/948359337.db2.gz VSJSYXKZAAIBAZ-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001487921729 948359345 /nfs/dbraw/zinc/35/93/45/948359345.db2.gz VSJSYXKZAAIBAZ-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)OCCN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273852419 948568777 /nfs/dbraw/zinc/56/87/77/948568777.db2.gz GHVIQORDEDLEGV-INIZCTEOSA-N 1 3 313.442 0.276 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@@H](O)C(C)(C)C)C2)C1=O ZINC001273891084 948663512 /nfs/dbraw/zinc/66/35/12/948663512.db2.gz HWZZXTVGOHOHCB-RHSMWYFYSA-N 1 3 311.470 0.879 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H](O)C(C)(C)C)C2)C1=O ZINC001273891084 948663515 /nfs/dbraw/zinc/66/35/15/948663515.db2.gz HWZZXTVGOHOHCB-RHSMWYFYSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001328365931 948858479 /nfs/dbraw/zinc/85/84/79/948858479.db2.gz JWXNDFWYTKQJES-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001265058485 949256369 /nfs/dbraw/zinc/25/63/69/949256369.db2.gz VVPPCZYOTWCZPO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001265058485 949256384 /nfs/dbraw/zinc/25/63/84/949256384.db2.gz VVPPCZYOTWCZPO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001488858182 949270872 /nfs/dbraw/zinc/27/08/72/949270872.db2.gz JWGMDPSVPIJJGP-XJKCOSOUSA-N 1 3 315.433 0.676 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001489230588 949651475 /nfs/dbraw/zinc/65/14/75/949651475.db2.gz DINIOKQKKHZALO-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001489230588 949651485 /nfs/dbraw/zinc/65/14/85/949651485.db2.gz DINIOKQKKHZALO-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001329706959 949799674 /nfs/dbraw/zinc/79/96/74/949799674.db2.gz YYWJRLPCMIUFNN-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)[C@@H]1CCN(CC)C1 ZINC001329749450 949843247 /nfs/dbraw/zinc/84/32/47/949843247.db2.gz LWHJUNFCPKFUGB-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO COCC[N@H+](C)C[C@@H](O)CN1CCC(c2cncn2C)CC1 ZINC001364838307 950044497 /nfs/dbraw/zinc/04/44/97/950044497.db2.gz UCGNCSJWBZUMRI-OAHLLOKOSA-N 1 3 310.442 0.539 20 0 DCADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC(c2cncn2C)CC1 ZINC001364838307 950044519 /nfs/dbraw/zinc/04/45/19/950044519.db2.gz UCGNCSJWBZUMRI-OAHLLOKOSA-N 1 3 310.442 0.539 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)CN1CCCC1 ZINC001489787563 950108217 /nfs/dbraw/zinc/10/82/17/950108217.db2.gz LQWFQYFPSQXKEH-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1C(=O)CN1CCCC1 ZINC001489787563 950108233 /nfs/dbraw/zinc/10/82/33/950108233.db2.gz LQWFQYFPSQXKEH-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCn2cccn2)C1 ZINC001266031739 950277057 /nfs/dbraw/zinc/27/70/57/950277057.db2.gz JRDDXBJRBLLDFX-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCN(C)[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001490209003 950331810 /nfs/dbraw/zinc/33/18/10/950331810.db2.gz CLOHPPBZXAFZMI-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)C(N)=O ZINC001266077895 950333111 /nfs/dbraw/zinc/33/31/11/950333111.db2.gz XJBISVUHKUCODF-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)C(N)=O ZINC001266077895 950333133 /nfs/dbraw/zinc/33/31/33/950333133.db2.gz XJBISVUHKUCODF-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC(=O)NC ZINC001490308823 950547600 /nfs/dbraw/zinc/54/76/00/950547600.db2.gz FVQJMVVKNMZSBZ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCNC1=O ZINC001490330616 950586407 /nfs/dbraw/zinc/58/64/07/950586407.db2.gz DSYMZBUBKGXKRN-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CCNC1=O ZINC001490330616 950586423 /nfs/dbraw/zinc/58/64/23/950586423.db2.gz DSYMZBUBKGXKRN-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)C(=O)NCC(C)(C)N1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC001331112856 950921181 /nfs/dbraw/zinc/92/11/81/950921181.db2.gz HJSNHIWBLBMGNA-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001490611021 950947265 /nfs/dbraw/zinc/94/72/65/950947265.db2.gz QJSKQEIKPLUSBG-ZIAGYGMSSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C)C(=O)CN[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001490681576 950989022 /nfs/dbraw/zinc/98/90/22/950989022.db2.gz QULPYYSXQOVCHA-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCO[C@H]1CC1(F)F ZINC001331562857 951174311 /nfs/dbraw/zinc/17/43/11/951174311.db2.gz BHAWTBVQLWCXNL-JQWIXIFHSA-N 1 3 316.352 0.813 20 0 DCADHO CC[NH+](CC)C[C@H](O)CN1CCN(CCCCOC)CC1 ZINC001253191908 951228385 /nfs/dbraw/zinc/22/83/85/951228385.db2.gz GAQXBZNLXXVHEV-INIZCTEOSA-N 1 3 301.475 0.733 20 0 DCADHO CC(C)N1CCN(CC[NH2+]C[C@@H](O)COC(C)(C)C)CC1 ZINC001253473013 951296011 /nfs/dbraw/zinc/29/60/11/951296011.db2.gz LDLIRGZQBXLPGO-OAHLLOKOSA-N 1 3 301.475 0.778 20 0 DCADHO C[C@H](CO)C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001274068275 951387900 /nfs/dbraw/zinc/38/79/00/951387900.db2.gz DDGFMYUCFXIJCE-RDJZCZTQSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H](CO)C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001274068275 951387911 /nfs/dbraw/zinc/38/79/11/951387911.db2.gz DDGFMYUCFXIJCE-RDJZCZTQSA-N 1 3 311.470 0.881 20 0 DCADHO CCCCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028490 951440584 /nfs/dbraw/zinc/44/05/84/951440584.db2.gz ONIKEVHDSLMOHV-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC(=O)C(C)(C)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCN(C)C ZINC001274913700 951887761 /nfs/dbraw/zinc/88/77/61/951887761.db2.gz GENUGZKQBQEINC-CABCVRRESA-N 1 3 311.470 0.938 20 0 DCADHO CCC(=O)C(C)(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCN(C)C ZINC001274913700 951887765 /nfs/dbraw/zinc/88/77/65/951887765.db2.gz GENUGZKQBQEINC-CABCVRRESA-N 1 3 311.470 0.938 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001274943689 951903175 /nfs/dbraw/zinc/90/31/75/951903175.db2.gz FYHFUUACMVBIOI-CABCVRRESA-N 1 3 322.457 0.635 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccncc3O)C[C@H]21 ZINC001275167263 951982914 /nfs/dbraw/zinc/98/29/14/951982914.db2.gz ARUILJXHDAFDHW-ZBFHGGJFSA-N 1 3 306.410 0.234 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333396883 952041236 /nfs/dbraw/zinc/04/12/36/952041236.db2.gz FDZTZZDEDWAIHC-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CC[NH2+]CCCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001333597977 952111589 /nfs/dbraw/zinc/11/15/89/952111589.db2.gz FXZDDQVYGVRHIK-UHFFFAOYSA-N 1 3 311.474 0.407 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001411977670 952579243 /nfs/dbraw/zinc/57/92/43/952579243.db2.gz QGAWQBFWTLUADY-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(NCCCCCC1CC[NH2+]CC1)N1CCOC2(CNC2)C1 ZINC001336177146 952655586 /nfs/dbraw/zinc/65/55/86/952655586.db2.gz SMPMJAGTKINIHB-UHFFFAOYSA-N 1 3 324.469 0.930 20 0 DCADHO CN(C)c1ccc(NC(=O)CCNC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001336803398 952768191 /nfs/dbraw/zinc/76/81/91/952768191.db2.gz HTFHGPFHGOEXQT-KRWDZBQOSA-N 1 3 320.437 0.737 20 0 DCADHO CN(C)c1ccc(NC(=O)CCNC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001336803398 952768193 /nfs/dbraw/zinc/76/81/93/952768193.db2.gz HTFHGPFHGOEXQT-KRWDZBQOSA-N 1 3 320.437 0.737 20 0 DCADHO COc1nccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001276097787 952914540 /nfs/dbraw/zinc/91/45/40/952914540.db2.gz SBHQLFVZRCWGHT-GJZGRUSLSA-N 1 3 305.426 0.695 20 0 DCADHO COc1nccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1 ZINC001276097787 952914542 /nfs/dbraw/zinc/91/45/42/952914542.db2.gz SBHQLFVZRCWGHT-GJZGRUSLSA-N 1 3 305.426 0.695 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3cn(C)cn3)C[C@H]2CC1 ZINC001276271801 953045302 /nfs/dbraw/zinc/04/53/02/953045302.db2.gz XPIIXDHEDSTAPU-GASCZTMLSA-N 1 3 319.453 0.652 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3cn(C)cn3)C[C@H]2CC1 ZINC001276271801 953045306 /nfs/dbraw/zinc/04/53/06/953045306.db2.gz XPIIXDHEDSTAPU-GASCZTMLSA-N 1 3 319.453 0.652 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001490836750 953066548 /nfs/dbraw/zinc/06/65/48/953066548.db2.gz YKCQJYFHTADHAM-SDDRHHMPSA-N 1 3 323.359 0.584 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001490860066 953128118 /nfs/dbraw/zinc/12/81/18/953128118.db2.gz AJDFEIPSGFOFAL-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO COC1CCN(CCNC(=O)CCSCCC[NH3+])CC1 ZINC001340104976 953145277 /nfs/dbraw/zinc/14/52/77/953145277.db2.gz LRKPJNLGQWQYQQ-UHFFFAOYSA-N 1 3 303.472 0.686 20 0 DCADHO [NH3+]CCNCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001341529187 953235759 /nfs/dbraw/zinc/23/57/59/953235759.db2.gz GLYNYRDLNBWGIQ-INIZCTEOSA-N 1 3 304.438 0.706 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001341627927 953241274 /nfs/dbraw/zinc/24/12/74/953241274.db2.gz ULERJRGEVCHXEY-MRXNPFEDSA-N 1 3 322.497 0.910 20 0 DCADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001365887783 953363784 /nfs/dbraw/zinc/36/37/84/953363784.db2.gz JIKODNLMZZHHKB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCCCC1 ZINC001366040135 953614973 /nfs/dbraw/zinc/61/49/73/953614973.db2.gz HJNCLQNSCFRLFQ-CQSZACIVSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)NC(=O)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001366051121 953625366 /nfs/dbraw/zinc/62/53/66/953625366.db2.gz YWKOZSCEOQULAL-OAHLLOKOSA-N 1 3 324.469 0.337 20 0 DCADHO CCC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366090531 953669011 /nfs/dbraw/zinc/66/90/11/953669011.db2.gz DRPBTHWEUZTCNS-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001366103847 953690750 /nfs/dbraw/zinc/69/07/50/953690750.db2.gz HFGBMTBUEVYSKR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001366103847 953690753 /nfs/dbraw/zinc/69/07/53/953690753.db2.gz HFGBMTBUEVYSKR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366192349 953804084 /nfs/dbraw/zinc/80/40/84/953804084.db2.gz NPDLQCRZGPZAJL-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001366207139 953821930 /nfs/dbraw/zinc/82/19/30/953821930.db2.gz SCFAGNGERYIXKK-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC1CC1 ZINC001366215795 953841626 /nfs/dbraw/zinc/84/16/26/953841626.db2.gz BQTRRQNLHOEJSI-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC1CC1 ZINC001366215795 953841647 /nfs/dbraw/zinc/84/16/47/953841647.db2.gz BQTRRQNLHOEJSI-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(=O)NC ZINC001366219052 953843328 /nfs/dbraw/zinc/84/33/28/953843328.db2.gz VHTHMVXOOZCGSK-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(=O)NC ZINC001366219052 953843341 /nfs/dbraw/zinc/84/33/41/953843341.db2.gz VHTHMVXOOZCGSK-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(=O)NC ZINC001366219048 953846021 /nfs/dbraw/zinc/84/60/21/953846021.db2.gz VHTHMVXOOZCGSK-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(=O)NC ZINC001366219048 953846039 /nfs/dbraw/zinc/84/60/39/953846039.db2.gz VHTHMVXOOZCGSK-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N(C)C1CC1 ZINC001366313990 954008383 /nfs/dbraw/zinc/00/83/83/954008383.db2.gz XMAWLKHZKHAHBL-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N(C)C1CC1 ZINC001366318423 954013624 /nfs/dbraw/zinc/01/36/24/954013624.db2.gz BVGUULJDVVUTIT-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(C)(C)C ZINC001366322003 954022208 /nfs/dbraw/zinc/02/22/08/954022208.db2.gz LGCYHUSJRUGKHS-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NCC1CC1 ZINC001366330801 954034104 /nfs/dbraw/zinc/03/41/04/954034104.db2.gz OQLUJUFYPPOAMR-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001366346622 954071976 /nfs/dbraw/zinc/07/19/76/954071976.db2.gz ORRLVTCRUHQMET-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CCn1cc(CC[NH2+][C@@H](C)CNC(=O)Cc2nc[nH]c2C)cn1 ZINC001366364428 954101415 /nfs/dbraw/zinc/10/14/15/954101415.db2.gz UVEZBXGIZQJDTA-LBPRGKRZSA-N 1 3 318.425 0.814 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001366371026 954111548 /nfs/dbraw/zinc/11/15/48/954111548.db2.gz ZOEUXLKQWZOQPX-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001366404638 954159757 /nfs/dbraw/zinc/15/97/57/954159757.db2.gz QKJSKTDUQXIBJV-ZBFHGGJFSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)NCc1nccn1C ZINC001366488265 954267821 /nfs/dbraw/zinc/26/78/21/954267821.db2.gz NJMQTHUMVGIWCX-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001349173406 954632272 /nfs/dbraw/zinc/63/22/72/954632272.db2.gz DWHLJCQTQCRVLK-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283928126 954721926 /nfs/dbraw/zinc/72/19/26/954721926.db2.gz QEFMMDYDFUDTAG-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001366775668 954827260 /nfs/dbraw/zinc/82/72/60/954827260.db2.gz QXOFARMHVSXXBM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001366778746 954835277 /nfs/dbraw/zinc/83/52/77/954835277.db2.gz QDTQOKAKVBBHDN-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001366778480 954835892 /nfs/dbraw/zinc/83/58/92/954835892.db2.gz ZDHUVQSIJZSWON-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001349822114 954897726 /nfs/dbraw/zinc/89/77/26/954897726.db2.gz UAAFYGMUIJNOQP-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCCNC(=O)[C@H]1CCCN1C ZINC001349822114 954897739 /nfs/dbraw/zinc/89/77/39/954897739.db2.gz UAAFYGMUIJNOQP-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366871761 954973206 /nfs/dbraw/zinc/97/32/06/954973206.db2.gz PAVSOUUONPQTNJ-UONOGXRCSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366871761 954973220 /nfs/dbraw/zinc/97/32/20/954973220.db2.gz PAVSOUUONPQTNJ-UONOGXRCSA-N 1 3 312.458 0.371 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001366879884 954980431 /nfs/dbraw/zinc/98/04/31/954980431.db2.gz GLUAKPQCRKWBSZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001366879884 954980445 /nfs/dbraw/zinc/98/04/45/954980445.db2.gz GLUAKPQCRKWBSZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001351510110 955317472 /nfs/dbraw/zinc/31/74/72/955317472.db2.gz TZHULVFCNCWBJE-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001351510110 955317483 /nfs/dbraw/zinc/31/74/83/955317483.db2.gz TZHULVFCNCWBJE-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1n[nH]c(C)n1 ZINC001367144497 955393416 /nfs/dbraw/zinc/39/34/16/955393416.db2.gz ZZWTZACZYQCFSF-LBPRGKRZSA-N 1 3 306.414 0.193 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NC ZINC001367220634 955474290 /nfs/dbraw/zinc/47/42/90/955474290.db2.gz MTUKLBQHMYTDSA-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCC(=O)NC ZINC001367220634 955474299 /nfs/dbraw/zinc/47/42/99/955474299.db2.gz MTUKLBQHMYTDSA-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC(C)(C)C ZINC001367222168 955478716 /nfs/dbraw/zinc/47/87/16/955478716.db2.gz YYSIJYCDIXCKGQ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cnn(C)c1 ZINC001367274622 955568075 /nfs/dbraw/zinc/56/80/75/955568075.db2.gz WKWYLMXLQQFMRH-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001367288877 955592036 /nfs/dbraw/zinc/59/20/36/955592036.db2.gz OXRASEVVKSNWLL-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1)N(C)C ZINC001367319391 955641058 /nfs/dbraw/zinc/64/10/58/955641058.db2.gz XFQXBSSAFBXQQY-OLZOCXBDSA-N 1 3 312.458 0.465 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001285558410 955795377 /nfs/dbraw/zinc/79/53/77/955795377.db2.gz QKHLUSKJMPRUQB-ZRUQZJFASA-N 1 3 322.453 0.211 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001285558410 955795386 /nfs/dbraw/zinc/79/53/86/955795386.db2.gz QKHLUSKJMPRUQB-ZRUQZJFASA-N 1 3 322.453 0.211 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC001353279284 956003274 /nfs/dbraw/zinc/00/32/74/956003274.db2.gz VGTCXKIAOHSFMR-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001353352699 956031047 /nfs/dbraw/zinc/03/10/47/956031047.db2.gz GFBYFMQJEBPZPE-KRWDZBQOSA-N 1 3 323.485 0.552 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001416821855 956146367 /nfs/dbraw/zinc/14/63/67/956146367.db2.gz PKDMEBOLRAZBBL-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001292998595 957227023 /nfs/dbraw/zinc/22/70/23/957227023.db2.gz KFIIMBSGFWYSBF-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001292998595 957227034 /nfs/dbraw/zinc/22/70/34/957227034.db2.gz KFIIMBSGFWYSBF-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[N@@H+]1CCC[C@H]1C)N(C)C ZINC001293419489 957367828 /nfs/dbraw/zinc/36/78/28/957367828.db2.gz ZVJCPOYQXRLIJH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C[N@H+]1CCC[C@H]1C)N(C)C ZINC001293419489 957367834 /nfs/dbraw/zinc/36/78/34/957367834.db2.gz ZVJCPOYQXRLIJH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001293418707 957368482 /nfs/dbraw/zinc/36/84/82/957368482.db2.gz PLPPJFFKBNHVRG-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001367425080 957799424 /nfs/dbraw/zinc/79/94/24/957799424.db2.gz QHDUPNZCSUWISA-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO CN(CC[N@H+](C)CCc1ccnn1C)C(=O)[C@@H]1CCCCN1C ZINC001367526006 957965925 /nfs/dbraw/zinc/96/59/25/957965925.db2.gz ZDPOMWREOOBPNS-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CC[N@@H+](C)CCc1ccnn1C)C(=O)[C@@H]1CCCCN1C ZINC001367526006 957965934 /nfs/dbraw/zinc/96/59/34/957965934.db2.gz ZDPOMWREOOBPNS-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CC(C)[C@@H](O)C(=O)N[C@H](C)C[NH2+]CC(=O)Nc1nccs1 ZINC001367673375 958330224 /nfs/dbraw/zinc/33/02/24/958330224.db2.gz XZUAPLSAJGHCSJ-MWLCHTKSSA-N 1 3 314.411 0.193 20 0 DCADHO CCc1nnc(CNC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001367674340 958332841 /nfs/dbraw/zinc/33/28/41/958332841.db2.gz GCRUDYAGJNECRD-DGCLKSJQSA-N 1 3 321.425 0.568 20 0 DCADHO C[C@H](CNCC(=O)NCC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367711987 958420038 /nfs/dbraw/zinc/42/00/38/958420038.db2.gz ISXMVQXXQMMUBC-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CNCC(=O)NCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367711987 958420044 /nfs/dbraw/zinc/42/00/44/958420044.db2.gz ISXMVQXXQMMUBC-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO Cc1nc[nH]c1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001362080291 958702992 /nfs/dbraw/zinc/70/29/92/958702992.db2.gz QYJNTABOLWERBA-OAHLLOKOSA-N 1 3 319.453 0.888 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC2CC2)C1 ZINC001376792427 958850962 /nfs/dbraw/zinc/85/09/62/958850962.db2.gz VKAXQMZUVDOTNV-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC2CC2)C1 ZINC001376792427 958850979 /nfs/dbraw/zinc/85/09/79/958850979.db2.gz VKAXQMZUVDOTNV-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001491578831 958871887 /nfs/dbraw/zinc/87/18/87/958871887.db2.gz HJSFCRPNXBMRQG-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001376905752 959108121 /nfs/dbraw/zinc/10/81/21/959108121.db2.gz VAHKFPMOBUTBPI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001376917470 959132473 /nfs/dbraw/zinc/13/24/73/959132473.db2.gz FJLXJKKWOXBTGD-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001376956761 959203829 /nfs/dbraw/zinc/20/38/29/959203829.db2.gz NDFFZXGRVWHOOL-AWEZNQCLSA-N 1 3 322.457 0.576 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001376967334 959222955 /nfs/dbraw/zinc/22/29/55/959222955.db2.gz SUVFQYUYHACXRM-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001368139267 959312381 /nfs/dbraw/zinc/31/23/81/959312381.db2.gz CXADTQMYTMCUJQ-ILXRZTDVSA-N 1 3 322.453 0.280 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001368139267 959312397 /nfs/dbraw/zinc/31/23/97/959312397.db2.gz CXADTQMYTMCUJQ-ILXRZTDVSA-N 1 3 322.453 0.280 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491890872 959359323 /nfs/dbraw/zinc/35/93/23/959359323.db2.gz FYYNHFLSSBSRKH-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cnn(C)c1 ZINC001377036463 959364784 /nfs/dbraw/zinc/36/47/84/959364784.db2.gz OSBSIAKJFGLGMR-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC/C=C\Cl)C2)C1 ZINC001377174790 959627321 /nfs/dbraw/zinc/62/73/21/959627321.db2.gz MRACRVXNVHLVNX-OHGBZRADSA-N 1 3 315.845 0.634 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)(NC/C=C\Cl)C2)C1 ZINC001377174790 959627329 /nfs/dbraw/zinc/62/73/29/959627329.db2.gz MRACRVXNVHLVNX-OHGBZRADSA-N 1 3 315.845 0.634 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001377179906 959634558 /nfs/dbraw/zinc/63/45/58/959634558.db2.gz SQSPWCYYDVLHMB-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC001368359815 959732205 /nfs/dbraw/zinc/73/22/05/959732205.db2.gz VXHYBYJWWYVCMX-IYBDPMFKSA-N 1 3 319.453 0.614 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001368359815 959732210 /nfs/dbraw/zinc/73/22/10/959732210.db2.gz VXHYBYJWWYVCMX-IYBDPMFKSA-N 1 3 319.453 0.614 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368428881 959848436 /nfs/dbraw/zinc/84/84/36/959848436.db2.gz SCKFOLLSLRWHCN-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001377281816 959853666 /nfs/dbraw/zinc/85/36/66/959853666.db2.gz UNSSHIHQSDLLTA-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO CC[C@H](C)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368627299 960103702 /nfs/dbraw/zinc/10/37/02/960103702.db2.gz YCQCFODFXGEBNT-XJKSGUPXSA-N 1 3 308.426 0.941 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)NCC1CC1 ZINC001368648537 960120272 /nfs/dbraw/zinc/12/02/72/960120272.db2.gz FJHJGXNTCRIPGU-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CC[C@H](N2CC[C@@H](CNC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001377464403 960144275 /nfs/dbraw/zinc/14/42/75/960144275.db2.gz PSKNYXUIPDTPTD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](N2CC[C@@H](CNC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001377464403 960144282 /nfs/dbraw/zinc/14/42/82/960144282.db2.gz PSKNYXUIPDTPTD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001368752844 960227907 /nfs/dbraw/zinc/22/79/07/960227907.db2.gz FDKYMNXDUSNWDM-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001377590347 960328130 /nfs/dbraw/zinc/32/81/30/960328130.db2.gz NBJMUQBICJYSQB-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC(N)=O)CC1 ZINC001377610864 960352861 /nfs/dbraw/zinc/35/28/61/960352861.db2.gz OPTVYGRHSXPRAW-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCn2cncn2)C1)N(C)C ZINC001377757846 960588860 /nfs/dbraw/zinc/58/88/60/960588860.db2.gz IINYXMIPXZCMEJ-LSDHHAIUSA-N 1 3 322.457 0.399 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCn2cncn2)C1)N(C)C ZINC001377757846 960588871 /nfs/dbraw/zinc/58/88/71/960588871.db2.gz IINYXMIPXZCMEJ-LSDHHAIUSA-N 1 3 322.457 0.399 20 0 DCADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363260179 960724730 /nfs/dbraw/zinc/72/47/30/960724730.db2.gz PVHYZDYXLWNONA-QXSJWSMHSA-N 1 3 307.438 0.671 20 0 DCADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363260179 960724745 /nfs/dbraw/zinc/72/47/45/960724745.db2.gz PVHYZDYXLWNONA-QXSJWSMHSA-N 1 3 307.438 0.671 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377832432 960765141 /nfs/dbraw/zinc/76/51/41/960765141.db2.gz VXJAWXJPJBNGQE-KBPBESRZSA-N 1 3 321.469 0.930 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001378072015 961369812 /nfs/dbraw/zinc/36/98/12/961369812.db2.gz KJTSFKQNCFFBCQ-UKRRQHHQSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001378072015 961369830 /nfs/dbraw/zinc/36/98/30/961369830.db2.gz KJTSFKQNCFFBCQ-UKRRQHHQSA-N 1 3 322.453 0.662 20 0 DCADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001378111283 961454651 /nfs/dbraw/zinc/45/46/51/961454651.db2.gz HWQQTVUVRPNPNN-ILXRZTDVSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001378111283 961454668 /nfs/dbraw/zinc/45/46/68/961454668.db2.gz HWQQTVUVRPNPNN-ILXRZTDVSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001378145616 961526654 /nfs/dbraw/zinc/52/66/54/961526654.db2.gz IGUBLBIYJBDJLH-KGLIPLIRSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001378145616 961526667 /nfs/dbraw/zinc/52/66/67/961526667.db2.gz IGUBLBIYJBDJLH-KGLIPLIRSA-N 1 3 303.422 0.581 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001378841001 961584275 /nfs/dbraw/zinc/58/42/75/961584275.db2.gz GMWHQJQCSCDSGB-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)C[C@H](O)COC)CC1)N(C)C ZINC001378935193 961730088 /nfs/dbraw/zinc/73/00/88/961730088.db2.gz PHQYGRGTGZAREV-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](O)COC)CC1)N(C)C ZINC001378935193 961730096 /nfs/dbraw/zinc/73/00/96/961730096.db2.gz PHQYGRGTGZAREV-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N1CCCCC1 ZINC001379109455 962125921 /nfs/dbraw/zinc/12/59/21/962125921.db2.gz UGHRMODWQMTKNP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnccc1C)N(C)C ZINC001379862174 962162505 /nfs/dbraw/zinc/16/25/05/962162505.db2.gz AHFFOIXIHNFVID-HZPDHXFCSA-N 1 3 322.453 0.639 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001379907941 962269971 /nfs/dbraw/zinc/26/99/71/962269971.db2.gz UPHLWVCWKXJMRM-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC001447251669 1013330469 /nfs/dbraw/zinc/33/04/69/1013330469.db2.gz RPYSIQQPJJYLCC-UHFFFAOYSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001379940694 962342854 /nfs/dbraw/zinc/34/28/54/962342854.db2.gz SDNPODQCCRYWJA-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001379940694 962342867 /nfs/dbraw/zinc/34/28/67/962342867.db2.gz SDNPODQCCRYWJA-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)(C(=O)NC[C@@H](O)CNCc1ccccn1)[NH+]1CCCC1 ZINC001379227332 962410102 /nfs/dbraw/zinc/41/01/02/962410102.db2.gz LTDCFTSHAUJBML-HNNXBMFYSA-N 1 3 320.437 0.523 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001379438365 962924153 /nfs/dbraw/zinc/92/41/53/962924153.db2.gz FPNXYBFIYBAKGW-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001379483298 963025551 /nfs/dbraw/zinc/02/55/51/963025551.db2.gz ZJEVHRPGDBMLLO-XJKSGUPXSA-N 1 3 315.433 0.676 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cn1 ZINC001379554583 963174540 /nfs/dbraw/zinc/17/45/40/963174540.db2.gz WXLKPWNJPRBIHI-LBPRGKRZSA-N 1 3 305.426 0.721 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001380416647 963176186 /nfs/dbraw/zinc/17/61/86/963176186.db2.gz BLLKMWGVRFEXRE-CJNGLKHVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001379562531 963186063 /nfs/dbraw/zinc/18/60/63/963186063.db2.gz LRXMVEMSBIQHMO-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001379579288 963211058 /nfs/dbraw/zinc/21/10/58/963211058.db2.gz AYCUXQCSJVJDLI-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001379579288 963211066 /nfs/dbraw/zinc/21/10/66/963211066.db2.gz AYCUXQCSJVJDLI-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2cn(C)nn2)C1 ZINC001380675910 963482047 /nfs/dbraw/zinc/48/20/47/963482047.db2.gz VBUWZLTXOKEECH-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2cn(C)nn2)C1 ZINC001380675910 963482051 /nfs/dbraw/zinc/48/20/51/963482051.db2.gz VBUWZLTXOKEECH-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001380835490 963620911 /nfs/dbraw/zinc/62/09/11/963620911.db2.gz YRIFOSMBXXUGLL-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCn1cncn1)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381292704 963950954 /nfs/dbraw/zinc/95/09/54/963950954.db2.gz DDELHBJJTUEMDN-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001381312002 963963608 /nfs/dbraw/zinc/96/36/08/963963608.db2.gz IOEUDQRCZYSVDJ-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001381312002 963963611 /nfs/dbraw/zinc/96/36/11/963963611.db2.gz IOEUDQRCZYSVDJ-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H]([NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001381331057 963975322 /nfs/dbraw/zinc/97/53/22/963975322.db2.gz KMTRZMWWSYLJRU-YIZWMMSDSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@@H]([NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001381331054 963976120 /nfs/dbraw/zinc/97/61/20/963976120.db2.gz KMTRZMWWSYLJRU-ORHYLEIMSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCNC1=O ZINC001368926862 964140072 /nfs/dbraw/zinc/14/00/72/964140072.db2.gz URWVPHLLHGXVGY-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H](C)C(N)=O ZINC001369036149 964329183 /nfs/dbraw/zinc/32/91/83/964329183.db2.gz FKFMOJWURCYHDE-AAEUAGOBSA-N 1 3 309.414 0.289 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001375432371 964393442 /nfs/dbraw/zinc/39/34/42/964393442.db2.gz OGIKYEDLXLGDTP-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001375432371 964393455 /nfs/dbraw/zinc/39/34/55/964393455.db2.gz OGIKYEDLXLGDTP-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001369208136 964524591 /nfs/dbraw/zinc/52/45/91/964524591.db2.gz XLDYOFILDDJKCT-UONOGXRCSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001369208136 964524605 /nfs/dbraw/zinc/52/46/05/964524605.db2.gz XLDYOFILDDJKCT-UONOGXRCSA-N 1 3 310.442 0.171 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](CNCc1cncn1C)C1CC1 ZINC001369226328 964550870 /nfs/dbraw/zinc/55/08/70/964550870.db2.gz UEVSMAWDPZUBQD-GDBMZVCRSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](CNCc1cncn1C)C1CC1 ZINC001369226328 964550879 /nfs/dbraw/zinc/55/08/79/964550879.db2.gz UEVSMAWDPZUBQD-GDBMZVCRSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCC(=O)N(C)C ZINC001369269255 964629810 /nfs/dbraw/zinc/62/98/10/964629810.db2.gz LESISDTWJHPMFE-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1n[nH]c(C)n1 ZINC001369290072 964664041 /nfs/dbraw/zinc/66/40/41/964664041.db2.gz OHPIEIHFADRVKW-NEPJUHHUSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1n[nH]c(C)n1 ZINC001369290072 964664048 /nfs/dbraw/zinc/66/40/48/964664048.db2.gz OHPIEIHFADRVKW-NEPJUHHUSA-N 1 3 310.446 0.952 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001373913566 964779287 /nfs/dbraw/zinc/77/92/87/964779287.db2.gz XARNCWJBZZWVKS-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)cn1 ZINC001369390470 964878008 /nfs/dbraw/zinc/87/80/08/964878008.db2.gz LBVVIQWOHYGRKL-SWLSCSKDSA-N 1 3 305.426 0.816 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC001369393155 964886310 /nfs/dbraw/zinc/88/63/10/964886310.db2.gz PABPASBWEUMKPQ-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC001369393155 964886320 /nfs/dbraw/zinc/88/63/20/964886320.db2.gz PABPASBWEUMKPQ-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374042044 964932227 /nfs/dbraw/zinc/93/22/27/964932227.db2.gz KQTITHHLXNOLJS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374042044 964932235 /nfs/dbraw/zinc/93/22/35/964932235.db2.gz KQTITHHLXNOLJS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)CCn1cncn1 ZINC001447774993 1013536143 /nfs/dbraw/zinc/53/61/43/1013536143.db2.gz GNDHKTPUHDYTRQ-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)CCn1cncn1 ZINC001447774993 1013536149 /nfs/dbraw/zinc/53/61/49/1013536149.db2.gz GNDHKTPUHDYTRQ-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001374245169 965179364 /nfs/dbraw/zinc/17/93/64/965179364.db2.gz AIRCFIIJQJBPEX-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1)N(C)C ZINC001369583835 965196411 /nfs/dbraw/zinc/19/64/11/965196411.db2.gz QWEPNIRKKGZRKZ-NRXISQOPSA-N 1 3 307.442 0.802 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001447798704 1013553319 /nfs/dbraw/zinc/55/33/19/1013553319.db2.gz RLPMTBDPMLDWGF-RUXDESIVSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374289995 965233354 /nfs/dbraw/zinc/23/33/54/965233354.db2.gz YHJRBINELGAEAD-STQMWFEESA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374310281 965263264 /nfs/dbraw/zinc/26/32/64/965263264.db2.gz DIUFXEXBPUPUJJ-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374310281 965263279 /nfs/dbraw/zinc/26/32/79/965263279.db2.gz DIUFXEXBPUPUJJ-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376298108 965495732 /nfs/dbraw/zinc/49/57/32/965495732.db2.gz SUTILYXXJGDLPO-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO CCCN(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376298108 965495738 /nfs/dbraw/zinc/49/57/38/965495738.db2.gz SUTILYXXJGDLPO-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO Cc1nnc(CN[C@H](C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001376332048 965529066 /nfs/dbraw/zinc/52/90/66/965529066.db2.gz RBQMXTZSSLODEM-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)C1CCC1 ZINC001376369069 965579504 /nfs/dbraw/zinc/57/95/04/965579504.db2.gz VCQNFUYGQYNSCT-HDJSIYSDSA-N 1 3 305.426 0.604 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376400760 965615479 /nfs/dbraw/zinc/61/54/79/965615479.db2.gz SHANRLWUJRNGRZ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001376413376 965629368 /nfs/dbraw/zinc/62/93/68/965629368.db2.gz WPJWMYZRTFUQRS-SYQHCUMBSA-N 1 3 312.458 0.478 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001376474703 965705548 /nfs/dbraw/zinc/70/55/48/965705548.db2.gz DWUXJDJABCWWOZ-KBXIAJHMSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001374690672 965764560 /nfs/dbraw/zinc/76/45/60/965764560.db2.gz CDZCHJJIMUBXPN-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001370112415 965787018 /nfs/dbraw/zinc/78/70/18/965787018.db2.gz FXXVMBOHMNLIGT-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001370112415 965787024 /nfs/dbraw/zinc/78/70/24/965787024.db2.gz FXXVMBOHMNLIGT-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)C1=O ZINC001370402785 966083836 /nfs/dbraw/zinc/08/38/36/966083836.db2.gz FOSSPDOKIHYJDF-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@H](N[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001370402785 966083847 /nfs/dbraw/zinc/08/38/47/966083847.db2.gz FOSSPDOKIHYJDF-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001374886468 966091199 /nfs/dbraw/zinc/09/11/99/966091199.db2.gz HAZMIJIRSDHGRB-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001374886468 966091207 /nfs/dbraw/zinc/09/12/07/966091207.db2.gz HAZMIJIRSDHGRB-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001376744669 966105145 /nfs/dbraw/zinc/10/51/45/966105145.db2.gz IQOKWEOCZAFTOO-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001376754044 966122296 /nfs/dbraw/zinc/12/22/96/966122296.db2.gz AKFFQNKZIXSCMW-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001370804185 966497272 /nfs/dbraw/zinc/49/72/72/966497272.db2.gz GYWKRNBOAREGQG-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)CCn1cccn1)[NH+](C)C ZINC001381579697 966552172 /nfs/dbraw/zinc/55/21/72/966552172.db2.gz WWJDDYFOQLNFKH-HUUCEWRRSA-N 1 3 309.458 0.906 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001370926629 966593652 /nfs/dbraw/zinc/59/36/52/966593652.db2.gz YXUOPLRJOAXJNW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CN[C@H]2CCNC2=O)CC1 ZINC001370934459 966598907 /nfs/dbraw/zinc/59/89/07/966598907.db2.gz VRXRMFOFEPKOQB-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCNC(=O)C[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001371079763 966709130 /nfs/dbraw/zinc/70/91/30/966709130.db2.gz SLAIIKUFBMAYRB-NFOMZHRRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001381924230 966783994 /nfs/dbraw/zinc/78/39/94/966783994.db2.gz GNCATNBGWOVQFG-ZNMIVQPWSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001381924230 966784000 /nfs/dbraw/zinc/78/40/00/966784000.db2.gz GNCATNBGWOVQFG-ZNMIVQPWSA-N 1 3 324.469 0.289 20 0 DCADHO CN(CC(=O)N(C)C1CC(NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001371189373 966796238 /nfs/dbraw/zinc/79/62/38/966796238.db2.gz SERAJKVCAYQCSA-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)C(=O)[C@H](C)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001371418429 966977061 /nfs/dbraw/zinc/97/70/61/966977061.db2.gz METCQGWKMHQAGK-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001382163799 966995861 /nfs/dbraw/zinc/99/58/61/966995861.db2.gz QPTALPJUJNAESP-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001382163799 966995869 /nfs/dbraw/zinc/99/58/69/966995869.db2.gz QPTALPJUJNAESP-ZFWWWQNUSA-N 1 3 320.437 0.978 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001371543544 967103722 /nfs/dbraw/zinc/10/37/22/967103722.db2.gz GMOLEGQMZMLMEC-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001371543544 967103732 /nfs/dbraw/zinc/10/37/32/967103732.db2.gz GMOLEGQMZMLMEC-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001371613951 967172162 /nfs/dbraw/zinc/17/21/62/967172162.db2.gz IGIGXRHTYAWMKD-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001371626257 967183917 /nfs/dbraw/zinc/18/39/17/967183917.db2.gz CUFMCLUESVGVNQ-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@H]1C ZINC001382303509 967188476 /nfs/dbraw/zinc/18/84/76/967188476.db2.gz MMXOLHSQBPPCCJ-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001382306299 967192521 /nfs/dbraw/zinc/19/25/21/967192521.db2.gz BHPHXJMDEBLFHY-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001382317592 967210305 /nfs/dbraw/zinc/21/03/05/967210305.db2.gz SYSCLUFKKWJRNG-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO COC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001382460592 967406336 /nfs/dbraw/zinc/40/63/36/967406336.db2.gz NLLSPBPFDGZELM-ZIAGYGMSSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001382460592 967406343 /nfs/dbraw/zinc/40/63/43/967406343.db2.gz NLLSPBPFDGZELM-ZIAGYGMSSA-N 1 3 315.458 0.257 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001382475502 967423973 /nfs/dbraw/zinc/42/39/73/967423973.db2.gz UOGSPHPSSRFSLY-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001382590603 967524543 /nfs/dbraw/zinc/52/45/43/967524543.db2.gz QLAPSTUOYGIRRM-UHFFFAOYSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001372043917 967598064 /nfs/dbraw/zinc/59/80/64/967598064.db2.gz SMNNPJQJLJGEPJ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001372492533 968044139 /nfs/dbraw/zinc/04/41/39/968044139.db2.gz BHTLFFKDGQDRHB-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001372492533 968044150 /nfs/dbraw/zinc/04/41/50/968044150.db2.gz BHTLFFKDGQDRHB-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001372523514 968081295 /nfs/dbraw/zinc/08/12/95/968081295.db2.gz JHWDNVNUKKXSQE-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001372523514 968081304 /nfs/dbraw/zinc/08/13/04/968081304.db2.gz JHWDNVNUKKXSQE-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001372539027 968100993 /nfs/dbraw/zinc/10/09/93/968100993.db2.gz AAZFCASMQJMKAY-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)N1CCCCC1 ZINC001372945088 968554662 /nfs/dbraw/zinc/55/46/62/968554662.db2.gz KWJGTZVXOXZUNZ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001373000945 968613443 /nfs/dbraw/zinc/61/34/43/968613443.db2.gz WQUQTOUZCRHMFL-GHMZBOCLSA-N 1 3 307.398 0.043 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001373441982 969099097 /nfs/dbraw/zinc/09/90/97/969099097.db2.gz HDTNZOHZMYHISJ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001373441982 969099105 /nfs/dbraw/zinc/09/91/05/969099105.db2.gz HDTNZOHZMYHISJ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1CCCN1C ZINC001431179398 1013934157 /nfs/dbraw/zinc/93/41/57/1013934157.db2.gz XYUOJOSQWVNXJD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNC(=O)[C@@H]1CCCN1C ZINC001431179398 1013934158 /nfs/dbraw/zinc/93/41/58/1013934158.db2.gz XYUOJOSQWVNXJD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001448511240 1013937281 /nfs/dbraw/zinc/93/72/81/1013937281.db2.gz ADZUNMMOYNTIFA-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001448649522 1013982099 /nfs/dbraw/zinc/98/20/99/1013982099.db2.gz IQOOSVVUUMLUHQ-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001448849951 1014070988 /nfs/dbraw/zinc/07/09/88/1014070988.db2.gz HDTNZOHZMYHISJ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001448849951 1014070992 /nfs/dbraw/zinc/07/09/92/1014070992.db2.gz HDTNZOHZMYHISJ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](N[C@H](CO)CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001448887519 1014083802 /nfs/dbraw/zinc/08/38/02/1014083802.db2.gz JOAMCFMVJZKWGB-WFASDCNBSA-N 1 3 311.401 0.905 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N(C)CCNC(=O)CN(C)C(C)C ZINC001448934196 1014101081 /nfs/dbraw/zinc/10/10/81/1014101081.db2.gz DURYIGCILSKYPX-UHFFFAOYSA-N 1 3 314.474 0.632 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNC(=O)CN(C)C(C)C ZINC001448934196 1014101082 /nfs/dbraw/zinc/10/10/82/1014101082.db2.gz DURYIGCILSKYPX-UHFFFAOYSA-N 1 3 314.474 0.632 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCN2CCCC2=O)C[C@H]1C ZINC001449023158 1014139663 /nfs/dbraw/zinc/13/96/63/1014139663.db2.gz WOCNHPJOKNPJPQ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001522697518 1014308769 /nfs/dbraw/zinc/30/87/69/1014308769.db2.gz FEVXRLKSUQSWFB-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(Nc1cn[nH]c1[C@@H]1CC[NH2+]C1)[C@@H]1CCn2ccnc2C1 ZINC001549738140 1014436055 /nfs/dbraw/zinc/43/60/55/1014436055.db2.gz RQQOVVOIGFNZCM-GHMZBOCLSA-N 1 3 300.366 0.884 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnn3c2CNCC3)C1 ZINC001549751955 1014445205 /nfs/dbraw/zinc/44/52/05/1014445205.db2.gz IMXNAFDCSZEPAK-HLLBOEOZSA-N 1 3 319.453 0.847 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001449399416 1014460371 /nfs/dbraw/zinc/46/03/71/1014460371.db2.gz GYGIASMMCGKCMT-PESDSKBTSA-N 1 3 307.442 0.839 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC001550061465 1014541630 /nfs/dbraw/zinc/54/16/30/1014541630.db2.gz VRYFEGRKSSLVTL-KGLIPLIRSA-N 1 3 317.368 0.585 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CCC34CC(C3)C[NH2+]4)C2)nn1 ZINC001550062318 1014541800 /nfs/dbraw/zinc/54/18/00/1014541800.db2.gz GAXBREWSITWMRE-CXOJTPOUSA-N 1 3 318.425 0.433 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)C3([NH2+]C4CC4)CCC3)C2)nn1 ZINC001550096242 1014567001 /nfs/dbraw/zinc/56/70/01/1014567001.db2.gz HQKABGHJUBNNPI-CYBMUJFWSA-N 1 3 304.398 0.185 20 0 DCADHO O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001550112539 1014579135 /nfs/dbraw/zinc/57/91/35/1014579135.db2.gz FDKWQQNPWJAHPH-WZRBSPASSA-N 1 3 305.382 0.288 20 0 DCADHO N[C@@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCOCC1 ZINC001550114367 1014581955 /nfs/dbraw/zinc/58/19/55/1014581955.db2.gz BQNXXJQKAFACMU-UONOGXRCSA-N 1 3 311.426 0.015 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC001550200291 1014626058 /nfs/dbraw/zinc/62/60/58/1014626058.db2.gz GKGLRAZNNWCRRH-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC001550205751 1014628248 /nfs/dbraw/zinc/62/82/48/1014628248.db2.gz XNIWSBRIUMQHCF-KGLIPLIRSA-N 1 3 322.453 0.446 20 0 DCADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCCN1CCO ZINC001550287593 1014652464 /nfs/dbraw/zinc/65/24/64/1014652464.db2.gz GBQOESSMHSZLMB-UYTSQGDYSA-N 1 3 324.469 0.663 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001523699261 1014735780 /nfs/dbraw/zinc/73/57/80/1014735780.db2.gz LNOOFRVGQIHMQL-CYBMUJFWSA-N 1 3 321.425 0.177 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001523699261 1014735787 /nfs/dbraw/zinc/73/57/87/1014735787.db2.gz LNOOFRVGQIHMQL-CYBMUJFWSA-N 1 3 321.425 0.177 20 0 DCADHO [NH3+][C@]12CC[C@H]1CN(C(=O)NC[C@H]1Cc3ccccc3CN1)C2 ZINC001550757446 1014846750 /nfs/dbraw/zinc/84/67/50/1014846750.db2.gz PEMYCGINUSLWEH-UXLLHSPISA-N 1 3 300.406 0.834 20 0 DCADHO CN1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550760451 1014850345 /nfs/dbraw/zinc/85/03/45/1014850345.db2.gz GFFRXYHFRBIOBO-KGLIPLIRSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)NC1CCCC1 ZINC001550914386 1014913830 /nfs/dbraw/zinc/91/38/30/1014913830.db2.gz UWBOKWWVYDRMHU-RHSMWYFYSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)(C)NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550914626 1014913848 /nfs/dbraw/zinc/91/38/48/1014913848.db2.gz YGVKJQQVMJCAIN-IUODEOHRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1 ZINC001530960058 1015002743 /nfs/dbraw/zinc/00/27/43/1015002743.db2.gz JXFSARDSZXCEJG-KKUMJFAQSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CCC[C@@H]1C ZINC001383098001 984671824 /nfs/dbraw/zinc/67/18/24/984671824.db2.gz MSTUTSPWLNHYKN-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001383117404 984682855 /nfs/dbraw/zinc/68/28/55/984682855.db2.gz VYZXCQYQDNOVON-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001383117404 984682859 /nfs/dbraw/zinc/68/28/59/984682859.db2.gz VYZXCQYQDNOVON-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001383318380 984768773 /nfs/dbraw/zinc/76/87/73/984768773.db2.gz GDDQLYJPHVZOBI-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO O=C(c1[nH]nc2c1CNCC2)N1CC[NH2+]CCC12CCOCC2 ZINC001551458015 1015093547 /nfs/dbraw/zinc/09/35/47/1015093547.db2.gz DZGGMRGYCQOIMD-UHFFFAOYSA-N 1 3 319.409 0.040 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001525044799 1015094259 /nfs/dbraw/zinc/09/42/59/1015094259.db2.gz DPOXNZSIBOKXRE-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001525044799 1015094265 /nfs/dbraw/zinc/09/42/65/1015094265.db2.gz DPOXNZSIBOKXRE-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001416941101 985227145 /nfs/dbraw/zinc/22/71/45/985227145.db2.gz SCYGDXKTXCKWQC-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551498903 1015118115 /nfs/dbraw/zinc/11/81/15/1015118115.db2.gz UWWRPDRGUTWSCK-VQCLRJIVSA-N 1 3 312.458 0.927 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001384117861 985372640 /nfs/dbraw/zinc/37/26/40/985372640.db2.gz VKXPZMNSDRAXJU-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001384116899 985373915 /nfs/dbraw/zinc/37/39/15/985373915.db2.gz BDBYHZMBMKXOKI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001551508685 1015122482 /nfs/dbraw/zinc/12/24/82/1015122482.db2.gz RSVCVNJGJDXJBG-LQKXBSAESA-N 1 3 316.405 0.072 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386020164 986759689 /nfs/dbraw/zinc/75/96/89/986759689.db2.gz AYEDERFWFZROPJ-KBXIAJHMSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386020164 986759699 /nfs/dbraw/zinc/75/96/99/986759699.db2.gz AYEDERFWFZROPJ-KBXIAJHMSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN[C@H](C(C)C)C2)cnn1C ZINC001552162456 1015297480 /nfs/dbraw/zinc/29/74/80/1015297480.db2.gz AIUIRLUWHYZEHU-JYJNAYRXSA-N 1 3 319.453 0.488 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001387139731 987655061 /nfs/dbraw/zinc/65/50/61/987655061.db2.gz BRINXOZMZFEZJB-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001387139731 987655066 /nfs/dbraw/zinc/65/50/66/987655066.db2.gz BRINXOZMZFEZJB-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)N(C)C ZINC001387756156 988121522 /nfs/dbraw/zinc/12/15/22/988121522.db2.gz JFUBHFOQQFRUBU-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)N(C)C ZINC001387756156 988121526 /nfs/dbraw/zinc/12/15/26/988121526.db2.gz JFUBHFOQQFRUBU-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001387803960 988165125 /nfs/dbraw/zinc/16/51/25/988165125.db2.gz LWXIZSLWGNEEIC-OAHLLOKOSA-N 1 3 314.474 0.487 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001388452268 988324685 /nfs/dbraw/zinc/32/46/85/988324685.db2.gz UZNBKCHZFXCTLC-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001388452268 988324699 /nfs/dbraw/zinc/32/46/99/988324699.db2.gz UZNBKCHZFXCTLC-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001388551794 988399649 /nfs/dbraw/zinc/39/96/49/988399649.db2.gz SESLQEYBUQKUME-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001389011197 988732195 /nfs/dbraw/zinc/73/21/95/988732195.db2.gz AVVIVBMGZUYLDV-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCN2CCC[C@H]2C1 ZINC001552435094 1015432803 /nfs/dbraw/zinc/43/28/03/1015432803.db2.gz AKELSSOISSKJOE-ZDUSSCGKSA-N 1 3 304.398 0.123 20 0 DCADHO C[C@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001389231943 989008695 /nfs/dbraw/zinc/00/86/95/989008695.db2.gz ZDSZEEWKFGYIRU-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001389768662 989557044 /nfs/dbraw/zinc/55/70/44/989557044.db2.gz AQJBZUHMDFKQKS-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCO[C@H]1CN(C(=O)c2cc(CN)n3c2CCCC3)C[C@@H]1C[NH3+] ZINC001552688735 1015492816 /nfs/dbraw/zinc/49/28/16/1015492816.db2.gz BVSIIRXUNDNAQQ-LRDDRELGSA-N 1 3 320.437 0.719 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001389863066 989645588 /nfs/dbraw/zinc/64/55/88/989645588.db2.gz SLZSQXDJAGLSLC-MGPQQGTHSA-N 1 3 320.441 0.426 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001389863066 989645590 /nfs/dbraw/zinc/64/55/90/989645590.db2.gz SLZSQXDJAGLSLC-MGPQQGTHSA-N 1 3 320.441 0.426 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001389910405 989678355 /nfs/dbraw/zinc/67/83/55/989678355.db2.gz VTOBMKXBYZPDDP-HDJSIYSDSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001389915780 989679779 /nfs/dbraw/zinc/67/97/79/989679779.db2.gz XOBJERGMFKSXGF-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001390007105 989741998 /nfs/dbraw/zinc/74/19/98/989741998.db2.gz GJICLHJQVPXKAM-VNHYZAJKSA-N 1 3 310.442 0.088 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390157571 989877360 /nfs/dbraw/zinc/87/73/60/989877360.db2.gz NCMCDSSWXQDMGI-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390157571 989877371 /nfs/dbraw/zinc/87/73/71/989877371.db2.gz NCMCDSSWXQDMGI-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CC[C@H](N[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001390462757 990125177 /nfs/dbraw/zinc/12/51/77/990125177.db2.gz NNDLBXPKVWEVHX-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCn1cncn1 ZINC001390715459 990324019 /nfs/dbraw/zinc/32/40/19/990324019.db2.gz BPRRWTMBTCTMCU-NSHDSACASA-N 1 3 305.386 0.037 20 0 DCADHO COC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001391047654 990539524 /nfs/dbraw/zinc/53/95/24/990539524.db2.gz FJTLZDZBQPQMPC-KFWWJZLASA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001391047654 990539527 /nfs/dbraw/zinc/53/95/27/990539527.db2.gz FJTLZDZBQPQMPC-KFWWJZLASA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001391112584 990597937 /nfs/dbraw/zinc/59/79/37/990597937.db2.gz OQAPPGSVKLJHOG-HZPDHXFCSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001391112584 990597944 /nfs/dbraw/zinc/59/79/44/990597944.db2.gz OQAPPGSVKLJHOG-HZPDHXFCSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001391121736 990603716 /nfs/dbraw/zinc/60/37/16/990603716.db2.gz YIGFJPYZVPZIPI-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001391121736 990603721 /nfs/dbraw/zinc/60/37/21/990603721.db2.gz YIGFJPYZVPZIPI-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001391354006 990774370 /nfs/dbraw/zinc/77/43/70/990774370.db2.gz NKRIAYMEJQTZFT-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001391354006 990774371 /nfs/dbraw/zinc/77/43/71/990774371.db2.gz NKRIAYMEJQTZFT-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)(C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1)N1CCCC1 ZINC001391494831 990892629 /nfs/dbraw/zinc/89/26/29/990892629.db2.gz SLZACZDUSSXQJD-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001392140437 991539425 /nfs/dbraw/zinc/53/94/25/991539425.db2.gz WDCBTBSTLKZIHG-CYBMUJFWSA-N 1 3 312.458 0.384 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CCCCC1 ZINC001392177171 991577033 /nfs/dbraw/zinc/57/70/33/991577033.db2.gz ORVASCMTGBBGDC-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO Cc1cncc(C[NH2+]C[C@H](O)CNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001392402519 991879556 /nfs/dbraw/zinc/87/95/56/991879556.db2.gz PNTYXMSURSFCNK-CJNGLKHVSA-N 1 3 320.437 0.299 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CN(C)CC(C)(C)C ZINC001392451519 991946086 /nfs/dbraw/zinc/94/60/86/991946086.db2.gz AMRAFEFAVCDRQM-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001392480155 991986380 /nfs/dbraw/zinc/98/63/80/991986380.db2.gz MYIUNQLUUIUVRC-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001392480155 991986391 /nfs/dbraw/zinc/98/63/91/991986391.db2.gz MYIUNQLUUIUVRC-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CN1CC[C@H](N2CC[C@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)C1=O ZINC001392990065 992605392 /nfs/dbraw/zinc/60/53/92/992605392.db2.gz CVAVULCOYJOGQX-YOEHRIQHSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001393169320 992726818 /nfs/dbraw/zinc/72/68/18/992726818.db2.gz YGYABIFYXLNSDN-DZKIICNBSA-N 1 3 315.458 0.162 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393249683 992787948 /nfs/dbraw/zinc/78/79/48/992787948.db2.gz JWXAHTWXYLYRGA-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393249683 992787954 /nfs/dbraw/zinc/78/79/54/992787954.db2.gz JWXAHTWXYLYRGA-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCn2cncn2)C1 ZINC001393400110 992947374 /nfs/dbraw/zinc/94/73/74/992947374.db2.gz VUSGTRJKWXRNDS-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001393539883 993067518 /nfs/dbraw/zinc/06/75/18/993067518.db2.gz HCMFDDNIANQCMG-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001393539883 993067522 /nfs/dbraw/zinc/06/75/22/993067522.db2.gz HCMFDDNIANQCMG-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001393694961 993183236 /nfs/dbraw/zinc/18/32/36/993183236.db2.gz VFKZAOLGCZXEMO-WMLDXEAASA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001393739371 993213934 /nfs/dbraw/zinc/21/39/34/993213934.db2.gz HVPSZIHOSVHKOH-KGLIPLIRSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001394067864 993452699 /nfs/dbraw/zinc/45/26/99/993452699.db2.gz PWGVNPKRBMMGFQ-HIFRSBDPSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001394067864 993452707 /nfs/dbraw/zinc/45/27/07/993452707.db2.gz PWGVNPKRBMMGFQ-HIFRSBDPSA-N 1 3 324.469 0.194 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCCC1)N(C)C ZINC001394189011 993533778 /nfs/dbraw/zinc/53/37/78/993533778.db2.gz RVMKBRCCLNDQRI-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)[C@H]2CCN(C)C2=O)CC1 ZINC001394401189 993680312 /nfs/dbraw/zinc/68/03/12/993680312.db2.gz XBHSOOGEYZRJTI-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@H]2CCN(C)C2=O)CC1 ZINC001394401189 993680317 /nfs/dbraw/zinc/68/03/17/993680317.db2.gz XBHSOOGEYZRJTI-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO Cc1nc(CNC[C@H](C2CC2)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001394437382 993705131 /nfs/dbraw/zinc/70/51/31/993705131.db2.gz CSJWACPKOKPRMN-CYBMUJFWSA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001394566712 993837643 /nfs/dbraw/zinc/83/76/43/993837643.db2.gz MPSPKJZHEWTSDY-QWHCGFSZSA-N 1 3 300.447 0.240 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)CC[NH+](C)C)c(C)c1 ZINC001394623627 993927868 /nfs/dbraw/zinc/92/78/68/993927868.db2.gz UZKQKARACFTEBA-INIZCTEOSA-N 1 3 307.438 0.822 20 0 DCADHO CC(C)N1CC[C@@H](N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399921863 993931488 /nfs/dbraw/zinc/93/14/88/993931488.db2.gz CKWAFQAOQOGVQE-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001399938281 993960874 /nfs/dbraw/zinc/96/08/74/993960874.db2.gz DMKHVOOLMTYJRC-KBPBESRZSA-N 1 3 306.410 0.735 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001399938281 993960885 /nfs/dbraw/zinc/96/08/85/993960885.db2.gz DMKHVOOLMTYJRC-KBPBESRZSA-N 1 3 306.410 0.735 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001394712407 994045033 /nfs/dbraw/zinc/04/50/33/994045033.db2.gz KIHHLLBNYWTDTQ-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001400407129 994483555 /nfs/dbraw/zinc/48/35/55/994483555.db2.gz BPRIGMDYCFYBPF-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001400407115 994484612 /nfs/dbraw/zinc/48/46/12/994484612.db2.gz BPRIGMDYCFYBPF-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001507010481 1015883730 /nfs/dbraw/zinc/88/37/30/1015883730.db2.gz ICJNVCHZLKTRON-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001395580370 994776508 /nfs/dbraw/zinc/77/65/08/994776508.db2.gz AZPXCVHXURXEQB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001395580370 994776517 /nfs/dbraw/zinc/77/65/17/994776517.db2.gz AZPXCVHXURXEQB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400754241 994883291 /nfs/dbraw/zinc/88/32/91/994883291.db2.gz SUNIJCUTVCFPQT-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)CC ZINC001400816254 994970051 /nfs/dbraw/zinc/97/00/51/994970051.db2.gz WYLZKUSBOMUZJO-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@@H](C)C(N)=O ZINC001400853789 995010024 /nfs/dbraw/zinc/01/00/24/995010024.db2.gz KLFZYLCVMQTMGN-WFASDCNBSA-N 1 3 324.469 0.467 20 0 DCADHO Cn1nncc1CNC[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401016639 995118219 /nfs/dbraw/zinc/11/82/19/995118219.db2.gz BVXLQGLIOQQBMA-LRDDRELGSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401016639 995118226 /nfs/dbraw/zinc/11/82/26/995118226.db2.gz BVXLQGLIOQQBMA-LRDDRELGSA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC1CC1)N(C)C ZINC001401089806 995165641 /nfs/dbraw/zinc/16/56/41/995165641.db2.gz HZYSHIBCAKYHPF-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001507074813 1015958930 /nfs/dbraw/zinc/95/89/30/1015958930.db2.gz WVVXZBXIPSDURA-BXUZGUMPSA-N 1 3 320.441 0.391 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001396913675 995679587 /nfs/dbraw/zinc/67/95/87/995679587.db2.gz AORIVXVRSCJOGZ-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001396913675 995679594 /nfs/dbraw/zinc/67/95/94/995679594.db2.gz AORIVXVRSCJOGZ-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001397089193 995790915 /nfs/dbraw/zinc/79/09/15/995790915.db2.gz GIJITEHQSVFMFZ-XBXGTLAGSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001397185397 995848615 /nfs/dbraw/zinc/84/86/15/995848615.db2.gz IAGGDVKCMIPAOX-NXOAAHMSSA-N 1 3 323.481 0.878 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001397185397 995848617 /nfs/dbraw/zinc/84/86/17/995848617.db2.gz IAGGDVKCMIPAOX-NXOAAHMSSA-N 1 3 323.481 0.878 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001397663299 996122288 /nfs/dbraw/zinc/12/22/88/996122288.db2.gz LHBHZQREWIAPIO-XDQVBPFNSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001507155713 1016039136 /nfs/dbraw/zinc/03/91/36/1016039136.db2.gz TVTFDQJCZDOHBS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001507155713 1016039146 /nfs/dbraw/zinc/03/91/46/1016039146.db2.gz TVTFDQJCZDOHBS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001398456273 996526588 /nfs/dbraw/zinc/52/65/88/996526588.db2.gz VWNYMDARVOJILD-ZBFHGGJFSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]Cc2cnn(C)c2)C2CC2)C1 ZINC001398461484 996529106 /nfs/dbraw/zinc/52/91/06/996529106.db2.gz XQBUXPJAEKOESO-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001398516858 996549566 /nfs/dbraw/zinc/54/95/66/996549566.db2.gz QMXORQZBIFGDKS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398516858 996549570 /nfs/dbraw/zinc/54/95/70/996549570.db2.gz QMXORQZBIFGDKS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCc1nc([C@H](C)N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001398551903 996569068 /nfs/dbraw/zinc/56/90/68/996569068.db2.gz FRRQVFWRKUDHRC-SRVKXCTJSA-N 1 3 308.430 0.617 20 0 DCADHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)CCC1 ZINC001398592796 996594148 /nfs/dbraw/zinc/59/41/48/996594148.db2.gz PQTCDBSSXYWCLV-GOOCMWNKSA-N 1 3 309.454 0.965 20 0 DCADHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)CCC1 ZINC001398592796 996594152 /nfs/dbraw/zinc/59/41/52/996594152.db2.gz PQTCDBSSXYWCLV-GOOCMWNKSA-N 1 3 309.454 0.965 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001398621250 996608776 /nfs/dbraw/zinc/60/87/76/996608776.db2.gz AHAPXPKYUMBTIS-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001398621250 996608777 /nfs/dbraw/zinc/60/87/77/996608777.db2.gz AHAPXPKYUMBTIS-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001398622073 996609165 /nfs/dbraw/zinc/60/91/65/996609165.db2.gz NRZWUIBITHISSZ-MCIONIFRSA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001398810078 996697531 /nfs/dbraw/zinc/69/75/31/996697531.db2.gz GUDLXHCQPIHGHD-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccnn2C)[C@@H](C)C1 ZINC001502752278 1016057103 /nfs/dbraw/zinc/05/71/03/1016057103.db2.gz XHRSHZAQWSILTH-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccnn2C)[C@@H](C)C1 ZINC001502752278 1016057108 /nfs/dbraw/zinc/05/71/08/1016057108.db2.gz XHRSHZAQWSILTH-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC(C)(C)C ZINC001398921180 996750568 /nfs/dbraw/zinc/75/05/68/996750568.db2.gz MSXLNQXWYMRIGC-JSGCOSHPSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(C)(C)C ZINC001398960893 996776423 /nfs/dbraw/zinc/77/64/23/996776423.db2.gz XIXICVSIDVSRDW-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001399100683 996962469 /nfs/dbraw/zinc/96/24/69/996962469.db2.gz NYLBWFOPILEJOY-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001399100683 996962483 /nfs/dbraw/zinc/96/24/83/996962483.db2.gz NYLBWFOPILEJOY-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CCOCCO)CC1 ZINC001502811496 1016079526 /nfs/dbraw/zinc/07/95/26/1016079526.db2.gz WRDUSZMDMGDVRG-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)C(N)=O)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001404319807 996974639 /nfs/dbraw/zinc/97/46/39/996974639.db2.gz AEMNFBRNJJLFAF-OLZOCXBDSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCCCN2C)C1=O ZINC001404324356 996983609 /nfs/dbraw/zinc/98/36/09/996983609.db2.gz NPSQGBPYSCBRKZ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(CC)C1=O ZINC001404325314 996983643 /nfs/dbraw/zinc/98/36/43/996983643.db2.gz OSVZXTJPHJMIBH-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCN(CC)C1=O ZINC001404325314 996983658 /nfs/dbraw/zinc/98/36/58/996983658.db2.gz OSVZXTJPHJMIBH-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC(C)(C)C ZINC001399123843 996999116 /nfs/dbraw/zinc/99/91/16/996999116.db2.gz SFTMSTHJSUCFIW-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC(C)(C)C ZINC001399123843 996999125 /nfs/dbraw/zinc/99/91/25/996999125.db2.gz SFTMSTHJSUCFIW-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC(C)(C)C ZINC001399123810 996999347 /nfs/dbraw/zinc/99/93/47/996999347.db2.gz SFTMSTHJSUCFIW-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC(C)(C)C ZINC001399123810 996999361 /nfs/dbraw/zinc/99/93/61/996999361.db2.gz SFTMSTHJSUCFIW-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001399125799 997007339 /nfs/dbraw/zinc/00/73/39/997007339.db2.gz UMVOJGFCCJLYKO-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001399125799 997007353 /nfs/dbraw/zinc/00/73/53/997007353.db2.gz UMVOJGFCCJLYKO-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001404350357 997025283 /nfs/dbraw/zinc/02/52/83/997025283.db2.gz WHIIJGIOBWVTNE-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001404363424 997038777 /nfs/dbraw/zinc/03/87/77/997038777.db2.gz DPPXLNBUTFAKBL-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NCC(=O)N(C)C)C1)[NH+](CC)CC ZINC001399182840 997063181 /nfs/dbraw/zinc/06/31/81/997063181.db2.gz FRCFGSHQQIEPOT-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001399187615 997070522 /nfs/dbraw/zinc/07/05/22/997070522.db2.gz STVNDKMAAZJTPH-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001399253594 997128409 /nfs/dbraw/zinc/12/84/09/997128409.db2.gz UECBICOJYHPDPA-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001399270804 997145498 /nfs/dbraw/zinc/14/54/98/997145498.db2.gz PRELSZJIGGRETL-CABCVRRESA-N 1 3 322.457 0.637 20 0 DCADHO COc1ccc(C[NH2+][C@H](C)CCNC(=O)CN2CCCC2)nn1 ZINC001399429106 997355975 /nfs/dbraw/zinc/35/59/75/997355975.db2.gz NINANDKYTBYNQI-CYBMUJFWSA-N 1 3 321.425 0.565 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001405263915 998029726 /nfs/dbraw/zinc/02/97/26/998029726.db2.gz WFCPFVMDOPMXNW-BPLDGKMQSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001405263915 998029733 /nfs/dbraw/zinc/02/97/33/998029733.db2.gz WFCPFVMDOPMXNW-BPLDGKMQSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001405301141 998081197 /nfs/dbraw/zinc/08/11/97/998081197.db2.gz JKQBEMSWRADWTH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001507251517 1016183364 /nfs/dbraw/zinc/18/33/64/1016183364.db2.gz DNCSWVOQDAUDKI-DOTOQJQBSA-N 1 3 319.449 0.904 20 0 DCADHO Cc1ccccc1CN[C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507251517 1016183372 /nfs/dbraw/zinc/18/33/72/1016183372.db2.gz DNCSWVOQDAUDKI-DOTOQJQBSA-N 1 3 319.449 0.904 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cnc(C)nc1 ZINC001405349752 998139586 /nfs/dbraw/zinc/13/95/86/998139586.db2.gz RRZJPMMJEYHPQE-CABCVRRESA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cnc(C)nc1 ZINC001405349752 998139593 /nfs/dbraw/zinc/13/95/93/998139593.db2.gz RRZJPMMJEYHPQE-CABCVRRESA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCOCC2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001507290080 1016221546 /nfs/dbraw/zinc/22/15/46/1016221546.db2.gz WCAVDAVUXLQNSB-IUODEOHRSA-N 1 3 306.410 0.958 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001507290899 1016223617 /nfs/dbraw/zinc/22/36/17/1016223617.db2.gz RHCIYLGEMBMFMS-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)[C@@H]1C ZINC001507291675 1016223871 /nfs/dbraw/zinc/22/38/71/1016223871.db2.gz CXBAVYGSGVVKEQ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C(C)(C)C1 ZINC001507450943 1016336804 /nfs/dbraw/zinc/33/68/04/1016336804.db2.gz YAVLZRWPSQMIJZ-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C(C)(C)C1 ZINC001507450943 1016336813 /nfs/dbraw/zinc/33/68/13/1016336813.db2.gz YAVLZRWPSQMIJZ-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H](C[NH2+]CCO)[C@H](C(F)(F)F)C1 ZINC001507456177 1016339587 /nfs/dbraw/zinc/33/95/87/1016339587.db2.gz GYAACGDBOMYOJG-GXSJLCMTSA-N 1 3 320.315 0.171 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001505621259 1016362254 /nfs/dbraw/zinc/36/22/54/1016362254.db2.gz FJKVCPQSHDMRTC-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO COc1nccc(C[NH2+][C@H](C)CCNC(=O)CN2CCCC2)n1 ZINC001418432776 1000214587 /nfs/dbraw/zinc/21/45/87/1000214587.db2.gz KXZXBDUFLAENFA-CYBMUJFWSA-N 1 3 321.425 0.565 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001418513124 1000300900 /nfs/dbraw/zinc/30/09/00/1000300900.db2.gz UKASXAJETPAKKJ-CQSZACIVSA-N 1 3 323.441 0.700 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001418513124 1000300904 /nfs/dbraw/zinc/30/09/04/1000300904.db2.gz UKASXAJETPAKKJ-CQSZACIVSA-N 1 3 323.441 0.700 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C(=O)Cc1c[nH]cn1 ZINC001401239850 1000301033 /nfs/dbraw/zinc/30/10/33/1000301033.db2.gz FDRCVUXFPIZSRH-AAEUAGOBSA-N 1 3 317.397 0.168 20 0 DCADHO C[C@H](CNCC(=O)NCC(C)(C)C)N(C)C(=O)CC[NH+](C)C ZINC001401247047 1000305787 /nfs/dbraw/zinc/30/57/87/1000305787.db2.gz NGZPQALPZNORLT-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC(=O)NC ZINC001401313453 1000345156 /nfs/dbraw/zinc/34/51/56/1000345156.db2.gz RXZNRKWMUNCKET-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001418643562 1000417205 /nfs/dbraw/zinc/41/72/05/1000417205.db2.gz OPGDWZIAMPCXAU-GUTXKFCHSA-N 1 3 312.458 0.145 20 0 DCADHO Cn1cc(CNC[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001401499784 1000455500 /nfs/dbraw/zinc/45/55/00/1000455500.db2.gz SJOMDWJKTSKVPQ-OCCSQVGLSA-N 1 3 308.430 0.141 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCCCO1)C1CCC1 ZINC001401546398 1000484167 /nfs/dbraw/zinc/48/41/67/1000484167.db2.gz HWQSPJOHPUGTOE-CABCVRRESA-N 1 3 313.442 0.107 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCO)[C@@H]2C1(C)C ZINC001418755903 1000496307 /nfs/dbraw/zinc/49/63/07/1000496307.db2.gz YYYFGECIHNQZLF-IMJJTQAJSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCO)[C@@H]2C1(C)C ZINC001418755903 1000496308 /nfs/dbraw/zinc/49/63/08/1000496308.db2.gz YYYFGECIHNQZLF-IMJJTQAJSA-N 1 3 311.470 0.924 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001418833359 1000559194 /nfs/dbraw/zinc/55/91/94/1000559194.db2.gz UQXWSFSZELSLTI-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001418833359 1000559199 /nfs/dbraw/zinc/55/91/99/1000559199.db2.gz UQXWSFSZELSLTI-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001401645001 1000584374 /nfs/dbraw/zinc/58/43/74/1000584374.db2.gz ZYBSKYIVWLFNLV-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001401725775 1000662826 /nfs/dbraw/zinc/66/28/26/1000662826.db2.gz WESGWDPEOBSIHF-QWRGUYRKSA-N 1 3 313.364 0.734 20 0 DCADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)C1CC[NH+](C)CC1 ZINC001507502738 1016428254 /nfs/dbraw/zinc/42/82/54/1016428254.db2.gz NOTZDQKLSQNNGX-MRXNPFEDSA-N 1 3 320.437 0.332 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(CCCN2CCCC2=O)C1 ZINC001419093413 1000762665 /nfs/dbraw/zinc/76/26/65/1000762665.db2.gz GTESRJZDNDGXMV-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](F)CCN1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001419130756 1000799994 /nfs/dbraw/zinc/79/99/94/1000799994.db2.gz JBZAFQLCMSAGIN-HUUCEWRRSA-N 1 3 314.449 0.420 20 0 DCADHO C[C@@H](F)CCN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001419130756 1000799999 /nfs/dbraw/zinc/79/99/99/1000799999.db2.gz JBZAFQLCMSAGIN-HUUCEWRRSA-N 1 3 314.449 0.420 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001419274503 1000941122 /nfs/dbraw/zinc/94/11/22/1000941122.db2.gz ZULRUJVFROJEQV-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001419274503 1000941130 /nfs/dbraw/zinc/94/11/30/1000941130.db2.gz ZULRUJVFROJEQV-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CN(C)C(=O)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001419301772 1000960848 /nfs/dbraw/zinc/96/08/48/1000960848.db2.gz CKTRCSSWGZEJOT-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@H](C)[NH+]1CCC(CCNC(=O)CN2CCCC2)CC1 ZINC001419418391 1001036411 /nfs/dbraw/zinc/03/64/11/1001036411.db2.gz XHQHBEDMFDSCGO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001419424384 1001039206 /nfs/dbraw/zinc/03/92/06/1001039206.db2.gz RZZKKWJLZMAVDB-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001419426194 1001041823 /nfs/dbraw/zinc/04/18/23/1001041823.db2.gz OYWHEEBSMJADMM-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1ccc(CN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001402150891 1001066210 /nfs/dbraw/zinc/06/62/10/1001066210.db2.gz XETNYWVECLZBKC-QGZVFWFLSA-N 1 3 320.437 0.418 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001402158850 1001072206 /nfs/dbraw/zinc/07/22/06/1001072206.db2.gz ICHGKFRXTNXZIA-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cnns1 ZINC001419508161 1001104388 /nfs/dbraw/zinc/10/43/88/1001104388.db2.gz JIHPJULTYMZFBW-RYUDHWBXSA-N 1 3 311.455 0.722 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001419527882 1001118320 /nfs/dbraw/zinc/11/83/20/1001118320.db2.gz JYLDJPFWFCPCAC-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001402228361 1001123326 /nfs/dbraw/zinc/12/33/26/1001123326.db2.gz KBVITZNWLYGGJW-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001402228361 1001123331 /nfs/dbraw/zinc/12/33/31/1001123331.db2.gz KBVITZNWLYGGJW-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001419539417 1001125530 /nfs/dbraw/zinc/12/55/30/1001125530.db2.gz QBSRGSYCYQNZMO-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001419679414 1001217729 /nfs/dbraw/zinc/21/77/29/1001217729.db2.gz GQTUJFXOLUYWES-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)CN[C@H]2CCNC2=O)CC1 ZINC001419747880 1001276390 /nfs/dbraw/zinc/27/63/90/1001276390.db2.gz UEERAGAYGDVVDG-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001419791531 1001311604 /nfs/dbraw/zinc/31/16/04/1001311604.db2.gz CQPXOUISKACDMC-ZIAGYGMSSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@@H](C)C(N)=O ZINC001419893985 1001392102 /nfs/dbraw/zinc/39/21/02/1001392102.db2.gz KKBLVPFAKPOELE-RYUDHWBXSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H]1CCNC1=O ZINC001419928133 1001413137 /nfs/dbraw/zinc/41/31/37/1001413137.db2.gz KLQMWGIQZOECOV-SWLSCSKDSA-N 1 3 318.421 0.345 20 0 DCADHO CC[C@H](F)CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001402605001 1001434213 /nfs/dbraw/zinc/43/42/13/1001434213.db2.gz OAVBZLIHPFFJKA-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001402640322 1001455624 /nfs/dbraw/zinc/45/56/24/1001455624.db2.gz BKIUCJVGYFIORD-QLFBSQMISA-N 1 3 322.453 0.376 20 0 DCADHO CN(CC(=O)NC1(CO)CC[NH+](CCCF)CC1)C1CCC1 ZINC001402864079 1001542753 /nfs/dbraw/zinc/54/27/53/1001542753.db2.gz NOPUJHYUEYLSGN-UHFFFAOYSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cnn(C)c1 ZINC001402882360 1001554225 /nfs/dbraw/zinc/55/42/25/1001554225.db2.gz NRUKNENPORMYNM-DOMZBBRYSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@H](NCC(=O)NC(C)(C)C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001403022017 1001636623 /nfs/dbraw/zinc/63/66/23/1001636623.db2.gz CIOPNQAKTHRTPA-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001403052206 1001650355 /nfs/dbraw/zinc/65/03/55/1001650355.db2.gz URROMQAEEAMZKL-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCCNC1=O ZINC001403165968 1001702758 /nfs/dbraw/zinc/70/27/58/1001702758.db2.gz NFESJDHURGBBFP-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001419968828 1001732221 /nfs/dbraw/zinc/73/22/21/1001732221.db2.gz OYLYKWAGZDKKCS-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001419974168 1001737532 /nfs/dbraw/zinc/73/75/32/1001737532.db2.gz BMRHIAUFZKDYFK-HNNXBMFYSA-N 1 3 322.457 0.427 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001403218346 1001741325 /nfs/dbraw/zinc/74/13/25/1001741325.db2.gz XHWVWGNFAFVROB-KBPBESRZSA-N 1 3 320.441 0.296 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001403249840 1001762364 /nfs/dbraw/zinc/76/23/64/1001762364.db2.gz NXTKUPVBICGLIY-RBSFLKMASA-N 1 3 315.458 0.018 20 0 DCADHO CN(CCN(C)C(=O)CCC[NH+](C)C)C[C@@H]1CCc2ncnn21 ZINC001420018263 1001765298 /nfs/dbraw/zinc/76/52/98/1001765298.db2.gz UBTNLWVFKATMNS-AWEZNQCLSA-N 1 3 322.457 0.497 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CNCc2cc(OC)no2)C1 ZINC001403278418 1001776895 /nfs/dbraw/zinc/77/68/95/1001776895.db2.gz RVJCPVNRKLWGQL-ZDUSSCGKSA-N 1 3 324.425 0.963 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNCc2cc(OC)no2)C1 ZINC001403278418 1001776898 /nfs/dbraw/zinc/77/68/98/1001776898.db2.gz RVJCPVNRKLWGQL-ZDUSSCGKSA-N 1 3 324.425 0.963 20 0 DCADHO CCn1nnc(C)c1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001420068628 1001802521 /nfs/dbraw/zinc/80/25/21/1001802521.db2.gz OQKODADEOOANTQ-TZMCWYRMSA-N 1 3 322.457 0.685 20 0 DCADHO C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NCc1ccn(C)n1 ZINC001403440867 1001965902 /nfs/dbraw/zinc/96/59/02/1001965902.db2.gz XZOMHFWTPSIHRA-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001420192194 1002011261 /nfs/dbraw/zinc/01/12/61/1002011261.db2.gz BDSYWXRHOHFTEY-CYBMUJFWSA-N 1 3 308.426 0.764 20 0 DCADHO CC(C)c1nc(CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)n[nH]1 ZINC001424808227 1002049797 /nfs/dbraw/zinc/04/97/97/1002049797.db2.gz QURRVYALIPWXFR-NWDGAFQWSA-N 1 3 310.446 0.863 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001420232481 1002082995 /nfs/dbraw/zinc/08/29/95/1002082995.db2.gz FWUXFLRFTOGPPU-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001424856416 1002099104 /nfs/dbraw/zinc/09/91/04/1002099104.db2.gz MQVGVPCHILWHFA-ZIAGYGMSSA-N 1 3 309.458 0.786 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001403606561 1002201168 /nfs/dbraw/zinc/20/11/68/1002201168.db2.gz NMJLGIHIBUNXEN-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001420334485 1002241037 /nfs/dbraw/zinc/24/10/37/1002241037.db2.gz MPUMQYZSZVPBNS-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420366269 1002287757 /nfs/dbraw/zinc/28/77/57/1002287757.db2.gz NQSXCQZLJQYBGO-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420366269 1002287763 /nfs/dbraw/zinc/28/77/63/1002287763.db2.gz NQSXCQZLJQYBGO-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCCC1 ZINC001425178358 1002422008 /nfs/dbraw/zinc/42/20/08/1002422008.db2.gz FOUSBPKTJTWWKG-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@H]1C ZINC001403749647 1002464856 /nfs/dbraw/zinc/46/48/56/1002464856.db2.gz LYCRUGJPEPPALT-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cnn(C)c2)C[C@H]1C ZINC001403749647 1002464863 /nfs/dbraw/zinc/46/48/63/1002464863.db2.gz LYCRUGJPEPPALT-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001403762142 1002483464 /nfs/dbraw/zinc/48/34/64/1002483464.db2.gz RCTRYIHDULUSOW-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](NCC(=O)NC3CC3)C(C)(C)C2)C1 ZINC001403836869 1002603708 /nfs/dbraw/zinc/60/37/08/1002603708.db2.gz OUCOMIIWXBNWIB-JSGCOSHPSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H](NCC(=O)NC3CC3)C(C)(C)C2)C1 ZINC001403836869 1002603713 /nfs/dbraw/zinc/60/37/13/1002603713.db2.gz OUCOMIIWXBNWIB-JSGCOSHPSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)C1CC[NH+](C)CC1 ZINC001403881121 1002673933 /nfs/dbraw/zinc/67/39/33/1002673933.db2.gz WUYTVHZWFSGTHF-MRXNPFEDSA-N 1 3 320.437 0.332 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420616033 1002694131 /nfs/dbraw/zinc/69/41/31/1002694131.db2.gz SGYOAFCNNQOELX-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](C[N@H+](C)CCc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001420620827 1002697699 /nfs/dbraw/zinc/69/76/99/1002697699.db2.gz FDUNSSGLLMZDPL-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](C[N@@H+](C)CCc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001420620827 1002697703 /nfs/dbraw/zinc/69/77/03/1002697703.db2.gz FDUNSSGLLMZDPL-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001404015822 1002905052 /nfs/dbraw/zinc/90/50/52/1002905052.db2.gz INBATRVYIZDGBH-NRXISQOPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001425638936 1002918024 /nfs/dbraw/zinc/91/80/24/1002918024.db2.gz LIPKNBRYLVPWDT-OCCSQVGLSA-N 1 3 321.425 0.400 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2cncn2C)C2CC2)C1 ZINC001420759222 1002920226 /nfs/dbraw/zinc/92/02/26/1002920226.db2.gz GJKXEGKEMMORPB-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](NCCO)c2ccccc2)CC1 ZINC001420776324 1002938046 /nfs/dbraw/zinc/93/80/46/1002938046.db2.gz MYTFVTIIAOOEHW-MRXNPFEDSA-N 1 3 305.422 0.768 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001425683320 1002955571 /nfs/dbraw/zinc/95/55/71/1002955571.db2.gz QTILBFWYMRVKPK-CQSZACIVSA-N 1 3 322.453 0.664 20 0 DCADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001420865576 1003053934 /nfs/dbraw/zinc/05/39/34/1003053934.db2.gz BVJFGAUFJFNDJW-HUUCEWRRSA-N 1 3 318.421 0.745 20 0 DCADHO Cn1nccc1CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001420883947 1003084829 /nfs/dbraw/zinc/08/48/29/1003084829.db2.gz KHJJBUUNADTQIN-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1nccc1CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420883947 1003084842 /nfs/dbraw/zinc/08/48/42/1003084842.db2.gz KHJJBUUNADTQIN-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H](F)CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001425800162 1003125731 /nfs/dbraw/zinc/12/57/31/1003125731.db2.gz VVSZNXWJIRMKJB-CHWSQXEVSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCCC1)N(C)C(=O)CN1CCCC1 ZINC001405886314 1003170722 /nfs/dbraw/zinc/17/07/22/1003170722.db2.gz JEAOXQZMLFFZMD-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@H]2CCCN(C)C2=O)CC1)[NH+](C)C ZINC001420993017 1003212015 /nfs/dbraw/zinc/21/20/15/1003212015.db2.gz GDDFVCQZSQPMQL-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)CC(C)C ZINC001405956344 1003220880 /nfs/dbraw/zinc/22/08/80/1003220880.db2.gz HUPVTYGVGZRCFE-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCn2cccn2)C[C@@H]1C ZINC001425886300 1003222929 /nfs/dbraw/zinc/22/29/29/1003222929.db2.gz IZOGNTMHMBUTGI-LSDHHAIUSA-N 1 3 307.442 0.802 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](CC(N)=O)CC2CC2)CC1 ZINC001421026606 1003245539 /nfs/dbraw/zinc/24/55/39/1003245539.db2.gz NHIMMZZAYABPAG-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](CC(N)=O)CC2CC2)CC1 ZINC001421026606 1003245547 /nfs/dbraw/zinc/24/55/47/1003245547.db2.gz NHIMMZZAYABPAG-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CC(N)=O ZINC001406020174 1003273434 /nfs/dbraw/zinc/27/34/34/1003273434.db2.gz XBWOBJSHHHVLKW-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CC1CC(C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C2CCC2)C1 ZINC001426006082 1003327851 /nfs/dbraw/zinc/32/78/51/1003327851.db2.gz NVSRYMRSPCUSOD-ZBCRRDGASA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001406381942 1003663425 /nfs/dbraw/zinc/66/34/25/1003663425.db2.gz QWJQDGHNTZVZOD-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001426595436 1003891439 /nfs/dbraw/zinc/89/14/39/1003891439.db2.gz QXSRGLMAOUKSJG-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001426595436 1003891460 /nfs/dbraw/zinc/89/14/60/1003891460.db2.gz QXSRGLMAOUKSJG-QLFBSQMISA-N 1 3 324.469 0.241 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001427146723 1004230834 /nfs/dbraw/zinc/23/08/34/1004230834.db2.gz WFDVEMVGSQFRHQ-CYBMUJFWSA-N 1 3 321.425 0.257 20 0 DCADHO CC[C@@H](NC1(CNC(=O)CC[NH+]2CCCCC2)CC1)C(N)=O ZINC001407004002 1004299579 /nfs/dbraw/zinc/29/95/79/1004299579.db2.gz HYQDDUUJRAAYGN-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001407114430 1004397280 /nfs/dbraw/zinc/39/72/80/1004397280.db2.gz XFEFJOXWSNKXEQ-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001407183677 1004452164 /nfs/dbraw/zinc/45/21/64/1004452164.db2.gz PDEXPNOSEYMLBJ-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001429473490 1004620126 /nfs/dbraw/zinc/62/01/26/1004620126.db2.gz AMYQLACESPZHNN-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001429473490 1004620127 /nfs/dbraw/zinc/62/01/27/1004620127.db2.gz AMYQLACESPZHNN-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001407819130 1004880705 /nfs/dbraw/zinc/88/07/05/1004880705.db2.gz AYEDERFWFZROPJ-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001407819130 1004880710 /nfs/dbraw/zinc/88/07/10/1004880710.db2.gz AYEDERFWFZROPJ-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001407834083 1004890482 /nfs/dbraw/zinc/89/04/82/1004890482.db2.gz RLSXJFDHCUEIAC-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCCC2)C1 ZINC001408098092 1005038926 /nfs/dbraw/zinc/03/89/26/1005038926.db2.gz PYVAOGMIYVPFHQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCCC2)C1 ZINC001408098092 1005038930 /nfs/dbraw/zinc/03/89/30/1005038930.db2.gz PYVAOGMIYVPFHQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCO)C2)C1 ZINC001408358159 1005175227 /nfs/dbraw/zinc/17/52/27/1005175227.db2.gz OGBFHKNAAFDDOD-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001408358159 1005175228 /nfs/dbraw/zinc/17/52/28/1005175228.db2.gz OGBFHKNAAFDDOD-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO COC(=O)[C@H]1[C@H](CN(C)CCC[N@H+](C)CCN(C)C)C1(F)F ZINC001414157122 1005243446 /nfs/dbraw/zinc/24/34/46/1005243446.db2.gz VTIIHIFJFRWLOI-QWHCGFSZSA-N 1 3 321.412 0.856 20 0 DCADHO COC(=O)[C@H]1[C@H](CN(C)CCC[N@@H+](C)CCN(C)C)C1(F)F ZINC001414157122 1005243447 /nfs/dbraw/zinc/24/34/47/1005243447.db2.gz VTIIHIFJFRWLOI-QWHCGFSZSA-N 1 3 321.412 0.856 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)CC[NH+](C)C)CC2)C1 ZINC001414677997 1005382677 /nfs/dbraw/zinc/38/26/77/1005382677.db2.gz CCKLIIATTNQCLH-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001414776243 1005400438 /nfs/dbraw/zinc/40/04/38/1005400438.db2.gz SCNROBIYDIQNSF-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001414776243 1005400439 /nfs/dbraw/zinc/40/04/39/1005400439.db2.gz SCNROBIYDIQNSF-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001415166867 1005474249 /nfs/dbraw/zinc/47/42/49/1005474249.db2.gz VCTOBSLQVLBGNR-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001415166867 1005474250 /nfs/dbraw/zinc/47/42/50/1005474250.db2.gz VCTOBSLQVLBGNR-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001415263514 1005492117 /nfs/dbraw/zinc/49/21/17/1005492117.db2.gz UFBLUTUCRCTRKR-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH]cn1 ZINC001415533767 1005556034 /nfs/dbraw/zinc/55/60/34/1005556034.db2.gz YIKZIAIPXISXKO-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)Cc1c[nH]cn1 ZINC001415533767 1005556038 /nfs/dbraw/zinc/55/60/38/1005556038.db2.gz YIKZIAIPXISXKO-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001417031803 1005773265 /nfs/dbraw/zinc/77/32/65/1005773265.db2.gz KJSDLHZCIPAPGQ-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001417031803 1005773266 /nfs/dbraw/zinc/77/32/66/1005773266.db2.gz KJSDLHZCIPAPGQ-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001417791082 1005891897 /nfs/dbraw/zinc/89/18/97/1005891897.db2.gz HEISHHDDFXEMRF-AVGNSLFASA-N 1 3 312.458 0.323 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001417804257 1005894272 /nfs/dbraw/zinc/89/42/72/1005894272.db2.gz WNEZNSZCCSGFNA-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001418010004 1005954504 /nfs/dbraw/zinc/95/45/04/1005954504.db2.gz HPVYUOAVXCIQJR-ZIAGYGMSSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)CC[N@@H+]1C ZINC001434780919 1005971330 /nfs/dbraw/zinc/97/13/30/1005971330.db2.gz FNYUERZOOJICEW-QLFBSQMISA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)CC[N@H+]1C ZINC001434780919 1005971335 /nfs/dbraw/zinc/97/13/35/1005971335.db2.gz FNYUERZOOJICEW-QLFBSQMISA-N 1 3 312.458 0.615 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001438715833 1006064877 /nfs/dbraw/zinc/06/48/77/1006064877.db2.gz RXJNBWDXBCQJMZ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001438776497 1006109522 /nfs/dbraw/zinc/10/95/22/1006109522.db2.gz RSYCKOUACPGBGA-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001436391665 1006158380 /nfs/dbraw/zinc/15/83/80/1006158380.db2.gz SIYPQFVVDYJNEM-JYJNAYRXSA-N 1 3 319.453 0.709 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001436474708 1006204846 /nfs/dbraw/zinc/20/48/46/1006204846.db2.gz ILJQSUPUVBRMOL-HIFRSBDPSA-N 1 3 324.425 0.320 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001418237097 1006224238 /nfs/dbraw/zinc/22/42/38/1006224238.db2.gz RWPHUNQZKNUKNG-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CC[N@H+](C)CCc1ccnn1C)C(=O)CN1CCCC1 ZINC001438939646 1006248215 /nfs/dbraw/zinc/24/82/15/1006248215.db2.gz VLELZXZEPLUJSD-UHFFFAOYSA-N 1 3 307.442 0.449 20 0 DCADHO CN(CC[N@@H+](C)CCc1ccnn1C)C(=O)CN1CCCC1 ZINC001438939646 1006248225 /nfs/dbraw/zinc/24/82/25/1006248225.db2.gz VLELZXZEPLUJSD-UHFFFAOYSA-N 1 3 307.442 0.449 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=O)NC ZINC001436669666 1006249873 /nfs/dbraw/zinc/24/98/73/1006249873.db2.gz OTMBXYFVLWBJOR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(=O)NC ZINC001436669666 1006249877 /nfs/dbraw/zinc/24/98/77/1006249877.db2.gz OTMBXYFVLWBJOR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccnn1C ZINC001418279732 1006295805 /nfs/dbraw/zinc/29/58/05/1006295805.db2.gz HBDSJQQNBZIWMM-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C(C)C)N(C)C ZINC001418296070 1006323643 /nfs/dbraw/zinc/32/36/43/1006323643.db2.gz AKFFQNKZIXSCMW-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001418310124 1006349984 /nfs/dbraw/zinc/34/99/84/1006349984.db2.gz BMFBDOYKBIXMRG-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO NC(=O)CN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001436797324 1006372465 /nfs/dbraw/zinc/37/24/65/1006372465.db2.gz VDZONAMWPKMEQQ-HUUCEWRRSA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CN[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001436797324 1006372479 /nfs/dbraw/zinc/37/24/79/1006372479.db2.gz VDZONAMWPKMEQQ-HUUCEWRRSA-N 1 3 322.453 0.363 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001439024012 1006376112 /nfs/dbraw/zinc/37/61/12/1006376112.db2.gz RJJXOVYLDSRWRD-GJZGRUSLSA-N 1 3 311.401 0.733 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N1CCCCC1 ZINC001418330688 1006387514 /nfs/dbraw/zinc/38/75/14/1006387514.db2.gz TUBKXMUUJWUIEO-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001418336743 1006399068 /nfs/dbraw/zinc/39/90/68/1006399068.db2.gz WERUZJMXTGSHIL-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001418347540 1006413277 /nfs/dbraw/zinc/41/32/77/1006413277.db2.gz XUANTCYXVKHOAG-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001436842761 1006416276 /nfs/dbraw/zinc/41/62/76/1006416276.db2.gz OMOMTTDOHQQYKY-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001439109237 1006479416 /nfs/dbraw/zinc/47/94/16/1006479416.db2.gz HAZMIJIRSDHGRB-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001439109237 1006479419 /nfs/dbraw/zinc/47/94/19/1006479419.db2.gz HAZMIJIRSDHGRB-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cncn1C ZINC001418413530 1006488859 /nfs/dbraw/zinc/48/88/59/1006488859.db2.gz CZYJIIJIIFWIRL-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001437017214 1006532991 /nfs/dbraw/zinc/53/29/91/1006532991.db2.gz CLOFQVSDSKXJOM-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1)C(=O)N(C)C ZINC001437058121 1006557863 /nfs/dbraw/zinc/55/78/63/1006557863.db2.gz PALLDBSRRHJING-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001437134061 1006631985 /nfs/dbraw/zinc/63/19/85/1006631985.db2.gz VXPWIZOIRQBLBT-SWLSCSKDSA-N 1 3 305.426 0.356 20 0 DCADHO CCn1cc(CC[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)cn1 ZINC001437215971 1006717813 /nfs/dbraw/zinc/71/78/13/1006717813.db2.gz ZLHNKBVWIGFUCS-GJZGRUSLSA-N 1 3 321.469 0.882 20 0 DCADHO CN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1)C1CC1 ZINC001437280899 1006798884 /nfs/dbraw/zinc/79/88/84/1006798884.db2.gz RPLGYSQLQWULRW-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001437331133 1006848874 /nfs/dbraw/zinc/84/88/74/1006848874.db2.gz UYSPYXNRNFUHKQ-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cnns1 ZINC001437374304 1006900904 /nfs/dbraw/zinc/90/09/04/1006900904.db2.gz TWMLEWPBUQCNKF-SMDDNHRTSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NCc1cnns1 ZINC001437400162 1006922613 /nfs/dbraw/zinc/92/26/13/1006922613.db2.gz GAVBSTNLFLSSGW-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NCc1cnns1 ZINC001437400162 1006922622 /nfs/dbraw/zinc/92/26/22/1006922622.db2.gz GAVBSTNLFLSSGW-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1)C(N)=O ZINC001439811076 1007215994 /nfs/dbraw/zinc/21/59/94/1007215994.db2.gz BJPWXBIJHXNSJA-JSGCOSHPSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001437725926 1007317793 /nfs/dbraw/zinc/31/77/93/1007317793.db2.gz KHYVVTDUDPYSIM-CVEARBPZSA-N 1 3 319.453 0.663 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001437725926 1007317808 /nfs/dbraw/zinc/31/78/08/1007317808.db2.gz KHYVVTDUDPYSIM-CVEARBPZSA-N 1 3 319.453 0.663 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001437807242 1007421778 /nfs/dbraw/zinc/42/17/78/1007421778.db2.gz NQEHSKCRVZTGON-CVEARBPZSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001437807242 1007421784 /nfs/dbraw/zinc/42/17/84/1007421784.db2.gz NQEHSKCRVZTGON-CVEARBPZSA-N 1 3 309.454 0.966 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001437833978 1007448325 /nfs/dbraw/zinc/44/83/25/1007448325.db2.gz LXEVSKMWWFNHQK-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001437833978 1007448333 /nfs/dbraw/zinc/44/83/33/1007448333.db2.gz LXEVSKMWWFNHQK-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001437855904 1007466190 /nfs/dbraw/zinc/46/61/90/1007466190.db2.gz LGBDKHWQOUBANR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001437855904 1007466198 /nfs/dbraw/zinc/46/61/98/1007466198.db2.gz LGBDKHWQOUBANR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001440121626 1007502309 /nfs/dbraw/zinc/50/23/09/1007502309.db2.gz MQZWVJZONPFSCE-OLZOCXBDSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1CNCc1cn(C)nn1 ZINC001440135450 1007515544 /nfs/dbraw/zinc/51/55/44/1007515544.db2.gz PIQLNVYGHQJDMH-KGLIPLIRSA-N 1 3 322.457 0.341 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)[C@H]1CCCNC1=O ZINC001440469582 1007805700 /nfs/dbraw/zinc/80/57/00/1007805700.db2.gz JQSBKKTYSXLXMV-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)[C@H]1CCCNC1=O ZINC001440469582 1007805710 /nfs/dbraw/zinc/80/57/10/1007805710.db2.gz JQSBKKTYSXLXMV-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cncn1C ZINC001438369156 1007863002 /nfs/dbraw/zinc/86/30/02/1007863002.db2.gz BYMXJZIKLDEJKT-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@H](C)COC)CCOCC1)N(C)C ZINC001440570927 1007895972 /nfs/dbraw/zinc/89/59/72/1007895972.db2.gz GYXRYVOHBPNQFG-ZIAGYGMSSA-N 1 3 315.458 0.617 20 0 DCADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001438421502 1007896132 /nfs/dbraw/zinc/89/61/32/1007896132.db2.gz OEDNFMODAGYNET-YOEHRIQHSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N[C@](C)(C[NH2+][C@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001438422671 1007898075 /nfs/dbraw/zinc/89/80/75/1007898075.db2.gz TYNOTYDBMSNCIJ-WMLDXEAASA-N 1 3 322.453 0.234 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1(NC(=O)CCC[NH+](C)C)CC1 ZINC001506162418 1017079805 /nfs/dbraw/zinc/07/98/05/1017079805.db2.gz XDZFSOXHOLFDCH-UHFFFAOYSA-N 1 3 321.425 0.367 20 0 DCADHO CCn1nncc1C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001440663935 1007945777 /nfs/dbraw/zinc/94/57/77/1007945777.db2.gz BFGRKCDACJDCSK-ZDUSSCGKSA-N 1 3 322.457 0.767 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C1CN(CCCO)C1)[NH+]1CCCC1 ZINC001441209201 1008271434 /nfs/dbraw/zinc/27/14/34/1008271434.db2.gz NSOUMZQPVQURBH-ZBFHGGJFSA-N 1 3 311.470 0.926 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001441542830 1008397124 /nfs/dbraw/zinc/39/71/24/1008397124.db2.gz UPLIHKNUUFDGDJ-LJISPDSOSA-N 1 3 313.442 0.105 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N1CCCC1 ZINC001441594234 1008417980 /nfs/dbraw/zinc/41/79/80/1008417980.db2.gz RREZDDPICGHPML-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)N(C)C ZINC001441597587 1008420021 /nfs/dbraw/zinc/42/00/21/1008420021.db2.gz SPSFBRVZLZUQHO-STQMWFEESA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001421426844 1008571682 /nfs/dbraw/zinc/57/16/82/1008571682.db2.gz TXTPZGVLYUGIFX-ZBFHGGJFSA-N 1 3 319.453 0.746 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)CC ZINC001441861531 1008587401 /nfs/dbraw/zinc/58/74/01/1008587401.db2.gz LTBCBTAOPBKISQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)CC ZINC001441861531 1008587409 /nfs/dbraw/zinc/58/74/09/1008587409.db2.gz LTBCBTAOPBKISQ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1n[nH]c(C2CC2)n1 ZINC001421483245 1008645292 /nfs/dbraw/zinc/64/52/92/1008645292.db2.gz AGDBDJGTQTXQAG-STQMWFEESA-N 1 3 320.441 0.618 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C2CC2)n1 ZINC001421483245 1008645304 /nfs/dbraw/zinc/64/53/04/1008645304.db2.gz AGDBDJGTQTXQAG-STQMWFEESA-N 1 3 320.441 0.618 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001453686723 1008664174 /nfs/dbraw/zinc/66/41/74/1008664174.db2.gz GFVPXAYILAYDTN-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCCN(C)C1=O ZINC001441940375 1008682859 /nfs/dbraw/zinc/68/28/59/1008682859.db2.gz PAUMPLULLYGITC-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C12CC[NH+](CC1)C2 ZINC001433461798 1008808950 /nfs/dbraw/zinc/80/89/50/1008808950.db2.gz VUKZJLXVELHULH-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001421669114 1008898271 /nfs/dbraw/zinc/89/82/71/1008898271.db2.gz QMLVWYYYZQFSLM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001421731899 1008998472 /nfs/dbraw/zinc/99/84/72/1008998472.db2.gz PZLGHHOTPGHQOK-KKUMJFAQSA-N 1 3 321.469 0.992 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001421731899 1008998479 /nfs/dbraw/zinc/99/84/79/1008998479.db2.gz PZLGHHOTPGHQOK-KKUMJFAQSA-N 1 3 321.469 0.992 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001421735191 1009006348 /nfs/dbraw/zinc/00/63/48/1009006348.db2.gz GIRJPWXBLUJUOO-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)(C)[C@H](CNCC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001442146105 1009017890 /nfs/dbraw/zinc/01/78/90/1009017890.db2.gz KYNORJLWJFTLFV-ZDUSSCGKSA-N 1 3 324.469 0.468 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001442166559 1009041450 /nfs/dbraw/zinc/04/14/50/1009041450.db2.gz ZTBMKNXONBZEJB-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C(C)(C)C)C1 ZINC001442169458 1009048121 /nfs/dbraw/zinc/04/81/21/1009048121.db2.gz DATRWDYIJVDOLT-OCCSQVGLSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C(C)(C)C)C1 ZINC001442169458 1009048132 /nfs/dbraw/zinc/04/81/32/1009048132.db2.gz DATRWDYIJVDOLT-OCCSQVGLSA-N 1 3 324.469 0.337 20 0 DCADHO COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001442249127 1009134770 /nfs/dbraw/zinc/13/47/70/1009134770.db2.gz HEAYGTHYWIUFSL-NEXFUWMNSA-N 1 3 315.458 0.159 20 0 DCADHO CN(CCC[N@H+](C)CCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001421842061 1009155211 /nfs/dbraw/zinc/15/52/11/1009155211.db2.gz UMBBCGUASHDIAT-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(CCC[N@@H+](C)CCN1CCCC1=O)C(=O)[C@@H]1CCCN1C ZINC001421842061 1009155223 /nfs/dbraw/zinc/15/52/23/1009155223.db2.gz UMBBCGUASHDIAT-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001442337277 1009195724 /nfs/dbraw/zinc/19/57/24/1009195724.db2.gz RAMKKGSYFRZJTI-UKRRQHHQSA-N 1 3 322.457 0.674 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CCCCC1)C(N)=O ZINC001422025831 1009410894 /nfs/dbraw/zinc/41/08/94/1009410894.db2.gz GXJCXIQJVNSQSB-GXTWGEPZSA-N 1 3 312.458 0.467 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)[C@@H](C)C1 ZINC001422030812 1009417778 /nfs/dbraw/zinc/41/77/78/1009417778.db2.gz NXBKGEFXPMVOOV-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC001422063353 1009448583 /nfs/dbraw/zinc/44/85/83/1009448583.db2.gz QJBGUDOIXLSAAG-UHFFFAOYSA-N 1 3 311.455 0.961 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001442594829 1009503485 /nfs/dbraw/zinc/50/34/85/1009503485.db2.gz NTDOFMIXSPZZCB-CVEARBPZSA-N 1 3 305.422 0.372 20 0 DCADHO CN(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001442594829 1009503496 /nfs/dbraw/zinc/50/34/96/1009503496.db2.gz NTDOFMIXSPZZCB-CVEARBPZSA-N 1 3 305.422 0.372 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001434069037 1009518951 /nfs/dbraw/zinc/51/89/51/1009518951.db2.gz DSODAQYCYWCDFI-AWEZNQCLSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001434069037 1009518963 /nfs/dbraw/zinc/51/89/63/1009518963.db2.gz DSODAQYCYWCDFI-AWEZNQCLSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001434088029 1009543022 /nfs/dbraw/zinc/54/30/22/1009543022.db2.gz KVCBMKGERBCTEK-CABCVRRESA-N 1 3 324.469 0.336 20 0 DCADHO C[C@H](C(N)=O)N1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001422184759 1009621988 /nfs/dbraw/zinc/62/19/88/1009621988.db2.gz OVQNNPOTIUCDJS-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](O)COC)N(C)C ZINC001422225701 1009676504 /nfs/dbraw/zinc/67/65/04/1009676504.db2.gz IHXQSRBDZMEQNP-SOUVJXGZSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)C[C@H](O)COC)N(C)C ZINC001422225701 1009676510 /nfs/dbraw/zinc/67/65/10/1009676510.db2.gz IHXQSRBDZMEQNP-SOUVJXGZSA-N 1 3 315.458 0.257 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001422273705 1009749126 /nfs/dbraw/zinc/74/91/26/1009749126.db2.gz OQYQWVBPILXRGY-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001442906728 1009920788 /nfs/dbraw/zinc/92/07/88/1009920788.db2.gz MYAZVCCLBOCZNS-HNNXBMFYSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001442906728 1009920798 /nfs/dbraw/zinc/92/07/98/1009920798.db2.gz MYAZVCCLBOCZNS-HNNXBMFYSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NCC(=O)N(C)C ZINC001422385262 1009992505 /nfs/dbraw/zinc/99/25/05/1009992505.db2.gz XSDUVXQMOGOWRX-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001443105887 1010146180 /nfs/dbraw/zinc/14/61/80/1010146180.db2.gz VYSAYPLYUSVRGZ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN(C)C3CCC3)C2)C1 ZINC001456308808 1010186966 /nfs/dbraw/zinc/18/69/66/1010186966.db2.gz TZGIXXLEQSHTBD-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN(C)C3CCC3)C2)C1 ZINC001456308808 1010186975 /nfs/dbraw/zinc/18/69/75/1010186975.db2.gz TZGIXXLEQSHTBD-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422504396 1010196778 /nfs/dbraw/zinc/19/67/78/1010196778.db2.gz AOIAFZVXWMKVDI-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001506454995 1017294927 /nfs/dbraw/zinc/29/49/27/1017294927.db2.gz RTLYJTLYPBMRPT-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001506454995 1017294936 /nfs/dbraw/zinc/29/49/36/1017294936.db2.gz RTLYJTLYPBMRPT-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CCc1cnn(C)c1 ZINC001422602628 1010389630 /nfs/dbraw/zinc/38/96/30/1010389630.db2.gz KWQYHCNPWJBKEH-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCc1cnn(C)c1 ZINC001422602628 1010389645 /nfs/dbraw/zinc/38/96/45/1010389645.db2.gz KWQYHCNPWJBKEH-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001422618131 1010411760 /nfs/dbraw/zinc/41/17/60/1010411760.db2.gz ODJBOHPRQLVANO-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCn1cc(CCN2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)cn1 ZINC001422730914 1010540421 /nfs/dbraw/zinc/54/04/21/1010540421.db2.gz HPBWFPWDWHITLP-AWEZNQCLSA-N 1 3 321.469 0.834 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001443986219 1010790832 /nfs/dbraw/zinc/79/08/32/1010790832.db2.gz QSOHHMQAFXXPIZ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(CC)CC ZINC001444032676 1010811910 /nfs/dbraw/zinc/81/19/10/1010811910.db2.gz GPLCXWOZGWWZLP-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(CC)CC ZINC001444032676 1010811912 /nfs/dbraw/zinc/81/19/12/1010811912.db2.gz GPLCXWOZGWWZLP-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CNC[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001444126235 1010870464 /nfs/dbraw/zinc/87/04/64/1010870464.db2.gz DRHBLQMQYHMESL-SUMWQHHRSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001444126235 1010870470 /nfs/dbraw/zinc/87/04/70/1010870470.db2.gz DRHBLQMQYHMESL-SUMWQHHRSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001444312971 1010957933 /nfs/dbraw/zinc/95/79/33/1010957933.db2.gz YFRMIZNGPKRIQO-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001444382980 1010991211 /nfs/dbraw/zinc/99/12/11/1010991211.db2.gz DNBCDEAZZWBHIV-DZGCQCFKSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001444382980 1010991214 /nfs/dbraw/zinc/99/12/14/1010991214.db2.gz DNBCDEAZZWBHIV-DZGCQCFKSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001444401437 1011000527 /nfs/dbraw/zinc/00/05/27/1011000527.db2.gz CYRYUEWHQQQHAG-TZMCWYRMSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001444401437 1011000533 /nfs/dbraw/zinc/00/05/33/1011000533.db2.gz CYRYUEWHQQQHAG-TZMCWYRMSA-N 1 3 305.426 0.579 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001423321675 1011074538 /nfs/dbraw/zinc/07/45/38/1011074538.db2.gz CYXCFKVICUHUSJ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001423331279 1011081759 /nfs/dbraw/zinc/08/17/59/1011081759.db2.gz STNALVWEIFXYAY-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCc1cnn(C)c1 ZINC001423373629 1011108526 /nfs/dbraw/zinc/10/85/26/1011108526.db2.gz PEGKESHDGTZRPV-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001423495737 1011188107 /nfs/dbraw/zinc/18/81/07/1011188107.db2.gz MLUBXCZEUHOGJW-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001423495737 1011188109 /nfs/dbraw/zinc/18/81/09/1011188109.db2.gz MLUBXCZEUHOGJW-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001456357274 1011217987 /nfs/dbraw/zinc/21/79/87/1011217987.db2.gz ODJJQCAGOKDAQM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001456357274 1011217997 /nfs/dbraw/zinc/21/79/97/1011217997.db2.gz ODJJQCAGOKDAQM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001431413963 1011218483 /nfs/dbraw/zinc/21/84/83/1011218483.db2.gz GMDOSBDSYFWKQR-UHFFFAOYSA-N 1 3 309.414 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)Cc1c[nH]cn1 ZINC001431413963 1011218497 /nfs/dbraw/zinc/21/84/97/1011218497.db2.gz GMDOSBDSYFWKQR-UHFFFAOYSA-N 1 3 309.414 0.211 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CCCC1)C(N)=O ZINC001423547748 1011244262 /nfs/dbraw/zinc/24/42/62/1011244262.db2.gz ZHGFKIGCFDIQCZ-TZMCWYRMSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)C(=O)NC)C1 ZINC001423641770 1011379655 /nfs/dbraw/zinc/37/96/55/1011379655.db2.gz GCSWNKCAXFHDJO-CJNGLKHVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001445109526 1011410099 /nfs/dbraw/zinc/41/00/99/1011410099.db2.gz CMDMLHGZRIQRSS-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)CN(C)C1CCC1 ZINC001445302360 1011629196 /nfs/dbraw/zinc/62/91/96/1011629196.db2.gz NEWQTLIWMLJPAW-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001534859731 1011702601 /nfs/dbraw/zinc/70/26/01/1011702601.db2.gz CVPMOILYVRYIMY-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001534859731 1011702612 /nfs/dbraw/zinc/70/26/12/1011702612.db2.gz CVPMOILYVRYIMY-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445578021 1011952284 /nfs/dbraw/zinc/95/22/84/1011952284.db2.gz SRXKIWXVGRWAAO-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)C1 ZINC001553431174 1011970129 /nfs/dbraw/zinc/97/01/29/1011970129.db2.gz AQMDUVWPPNHONA-BFHYXJOUSA-N 1 3 320.441 0.341 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC12CCC2 ZINC001553510896 1012056142 /nfs/dbraw/zinc/05/61/42/1012056142.db2.gz RWXPVLOAXBRBJB-LSDHHAIUSA-N 1 3 322.453 0.763 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553552760 1012101949 /nfs/dbraw/zinc/10/19/49/1012101949.db2.gz QHSIMOZGHOMZNE-ZIAGYGMSSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N(C)C)CCC2)CC[N@@H+]1C ZINC001424181495 1012137485 /nfs/dbraw/zinc/13/74/85/1012137485.db2.gz XFYYQKWZXOZDIK-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCC(=O)N(C)C)CCC2)CC[N@H+]1C ZINC001424181495 1012137490 /nfs/dbraw/zinc/13/74/90/1012137490.db2.gz XFYYQKWZXOZDIK-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001445723682 1012163860 /nfs/dbraw/zinc/16/38/60/1012163860.db2.gz YZFCKNMMVMJOCA-CABCVRRESA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001445723682 1012163866 /nfs/dbraw/zinc/16/38/66/1012163866.db2.gz YZFCKNMMVMJOCA-CABCVRRESA-N 1 3 322.457 0.587 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC001432319605 1012317140 /nfs/dbraw/zinc/31/71/40/1012317140.db2.gz XVASUJACTXGANL-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC001432319605 1012317149 /nfs/dbraw/zinc/31/71/49/1012317149.db2.gz XVASUJACTXGANL-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CCN2C(=O)CC[NH+](C)C)C1 ZINC001445833381 1012322756 /nfs/dbraw/zinc/32/27/56/1012322756.db2.gz KJFUSBQFHPKJPM-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001459026911 1012532223 /nfs/dbraw/zinc/53/22/23/1012532223.db2.gz RMIKOLKSAQXMOY-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001424472086 1012544524 /nfs/dbraw/zinc/54/45/24/1012544524.db2.gz OYYVUFIHDUUAMT-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](NC1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1)C(N)=O ZINC001446195789 1012665459 /nfs/dbraw/zinc/66/54/59/1012665459.db2.gz WDIXSYGNSKOKOS-CYBMUJFWSA-N 1 3 322.453 0.365 20 0 DCADHO CCCC[C@@H](NC1(CNC(=O)C2CC[NH+](C)CC2)CC1)C(N)=O ZINC001446228534 1012699599 /nfs/dbraw/zinc/69/95/99/1012699599.db2.gz JZYLWUCIGZAZCT-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574579 1012747544 /nfs/dbraw/zinc/74/75/44/1012747544.db2.gz GGUHHTNNWMHSIY-ZBFHGGJFSA-N 1 3 303.406 0.794 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001429969759 1013004948 /nfs/dbraw/zinc/00/49/48/1013004948.db2.gz PKRNFCWLBSBTBR-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001429969759 1013004966 /nfs/dbraw/zinc/00/49/66/1013004966.db2.gz PKRNFCWLBSBTBR-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C1CCC(N2CCN(C(=O)CNCC[NH3+])CC2)CC1 ZINC001521494950 1017387051 /nfs/dbraw/zinc/38/70/51/1017387051.db2.gz BEYAAAPFQPKXDO-UHFFFAOYSA-N 1 3 310.486 0.894 20 0 DCADHO CN1CCN(CCCCNC(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001521504479 1017389283 /nfs/dbraw/zinc/38/92/83/1017389283.db2.gz VAUVNHBXZYKPST-UHFFFAOYSA-N 1 3 318.465 0.945 20 0 DCADHO CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1CCCCC1 ZINC001506785545 1017546409 /nfs/dbraw/zinc/54/64/09/1017546409.db2.gz NAMZECSSZYOQMD-PHZGNYQRSA-N 1 3 323.481 0.927 20 0 DCADHO CC(C)(C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N1CCCCC1 ZINC001506785545 1017546421 /nfs/dbraw/zinc/54/64/21/1017546421.db2.gz NAMZECSSZYOQMD-PHZGNYQRSA-N 1 3 323.481 0.927 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001506896900 1017651294 /nfs/dbraw/zinc/65/12/94/1017651294.db2.gz BULCZGLOEOOFQM-XDQVBPFNSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CCC[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001506924848 1017674755 /nfs/dbraw/zinc/67/47/55/1017674755.db2.gz QHPFUCBMYPFYHV-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](CC)C(N)=O)CC1 ZINC001499243376 1017773069 /nfs/dbraw/zinc/77/30/69/1017773069.db2.gz FMRWOOLQVQVEKH-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H](CC)C(N)=O)CC1 ZINC001499243376 1017773080 /nfs/dbraw/zinc/77/30/80/1017773080.db2.gz FMRWOOLQVQVEKH-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](CC)C(N)=O)CC1 ZINC001499243375 1017775026 /nfs/dbraw/zinc/77/50/26/1017775026.db2.gz FMRWOOLQVQVEKH-QWHCGFSZSA-N 1 3 310.442 0.363 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](CC)C(N)=O)CC1 ZINC001499243375 1017775038 /nfs/dbraw/zinc/77/50/38/1017775038.db2.gz FMRWOOLQVQVEKH-QWHCGFSZSA-N 1 3 310.442 0.363 20 0 DCADHO CNC(=O)[C@@H](C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001479875760 1017923035 /nfs/dbraw/zinc/92/30/35/1017923035.db2.gz GRDFSHOXMWIODS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001479875760 1017923041 /nfs/dbraw/zinc/92/30/41/1017923041.db2.gz GRDFSHOXMWIODS-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C ZINC001497331271 1018053296 /nfs/dbraw/zinc/05/32/96/1018053296.db2.gz KYIIURNXCBETAM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCCCC1 ZINC001499923324 1018137115 /nfs/dbraw/zinc/13/71/15/1018137115.db2.gz XRQFRHOEKGNILA-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001497485657 1018164249 /nfs/dbraw/zinc/16/42/49/1018164249.db2.gz FGLHAIHGUKKXFV-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCn1nncc1CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061342 1018171111 /nfs/dbraw/zinc/17/11/11/1018171111.db2.gz HZHONESJWAEFEP-DZGCQCFKSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061342 1018171117 /nfs/dbraw/zinc/17/11/17/1018171117.db2.gz HZHONESJWAEFEP-DZGCQCFKSA-N 1 3 320.441 0.234 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001480232655 1018342981 /nfs/dbraw/zinc/34/29/81/1018342981.db2.gz WPJWMYZRTFUQRS-YIYPIFLZSA-N 1 3 312.458 0.478 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001480304504 1018413435 /nfs/dbraw/zinc/41/34/35/1018413435.db2.gz YGYONFNKSZSIBN-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)CN(C)C1CCC1 ZINC001497829184 1018452129 /nfs/dbraw/zinc/45/21/29/1018452129.db2.gz KLWMKTLAJHYYJD-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001498060151 1018621018 /nfs/dbraw/zinc/62/10/18/1018621018.db2.gz HYHQMFLDWJMZMP-RWMBFGLXSA-N 1 3 308.430 0.200 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccnn1C ZINC001495685702 1018649769 /nfs/dbraw/zinc/64/97/69/1018649769.db2.gz UDOMGFHMJIHWPV-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCOCC(F)F)C2)CCC1 ZINC001480615837 1018711842 /nfs/dbraw/zinc/71/18/42/1018711842.db2.gz GCARTGVDIMZKLD-LBPRGKRZSA-N 1 3 319.396 0.943 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070585 1018863109 /nfs/dbraw/zinc/86/31/09/1018863109.db2.gz HOMYZTJWVJTEBO-OLZOCXBDSA-N 1 3 321.425 0.305 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC(NC(=O)C(C)(C)N2CCCC2)C1 ZINC001498330331 1018961322 /nfs/dbraw/zinc/96/13/22/1018961322.db2.gz CWPIAGUKSUTMMJ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1ccnn1C)[NH+](C)C ZINC001496084560 1019050841 /nfs/dbraw/zinc/05/08/41/1019050841.db2.gz MPFYAWOZVXAEER-ZFWWWQNUSA-N 1 3 309.458 0.943 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496098178 1019064341 /nfs/dbraw/zinc/06/43/41/1019064341.db2.gz UHFVKOZYXFZYHU-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103968 1019075057 /nfs/dbraw/zinc/07/50/57/1019075057.db2.gz PVWVNNXXAMRDAF-ZIAGYGMSSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H](CNCC(N)=O)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496128612 1019097857 /nfs/dbraw/zinc/09/78/57/1019097857.db2.gz OUUYHJYAGBLPOD-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001496475472 1019342054 /nfs/dbraw/zinc/34/20/54/1019342054.db2.gz QGGGPGBMBDYOSV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001496587513 1019435020 /nfs/dbraw/zinc/43/50/20/1019435020.db2.gz ZVFOQNMMNHGJLN-OLZOCXBDSA-N 1 3 312.458 0.465 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494075952 1019966034 /nfs/dbraw/zinc/96/60/34/1019966034.db2.gz ZISWSBYJQJWKPZ-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494075952 1019966038 /nfs/dbraw/zinc/96/60/38/1019966038.db2.gz ZISWSBYJQJWKPZ-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332578772 235134718 /nfs/dbraw/zinc/13/47/18/235134718.db2.gz ZOPOPPRFHATBFJ-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO CCCN(CC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000430946290 283103818 /nfs/dbraw/zinc/10/38/18/283103818.db2.gz VOIZALWCVLAIKV-MRXNPFEDSA-N 1 3 308.470 0.803 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000236881412 202049936 /nfs/dbraw/zinc/04/99/36/202049936.db2.gz RYWSTBADBRMMKL-HOTGVXAUSA-N 1 3 310.486 0.766 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCN(c3ccc(C(N)=O)cn3)CC2)CC[NH2+]1 ZINC000414679285 239476886 /nfs/dbraw/zinc/47/68/86/239476886.db2.gz RVCPIWLJWPQDQL-KGLIPLIRSA-N 1 3 317.437 0.691 20 0 DCADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415323083 239551457 /nfs/dbraw/zinc/55/14/57/239551457.db2.gz SSMFOBPGYWEGTR-UHFFFAOYSA-N 1 3 318.421 0.551 20 0 DCADHO C[C@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCCN1C ZINC000343739473 291308349 /nfs/dbraw/zinc/30/83/49/291308349.db2.gz DNUJMSIPHKZPJI-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000566508010 291310163 /nfs/dbraw/zinc/31/01/63/291310163.db2.gz DVUBIGLKBIUASD-LSDHHAIUSA-N 1 3 311.474 0.310 20 0 DCADHO CCOC(=O)C1([C@@H](C)NCC(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000422813111 240184290 /nfs/dbraw/zinc/18/42/90/240184290.db2.gz RLZSXJJJOKASMM-GFCCVEGCSA-N 1 3 313.442 0.812 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000567804431 291378709 /nfs/dbraw/zinc/37/87/09/291378709.db2.gz GWYRZYIOCJSXQU-HLLBOEOZSA-N 1 3 309.454 0.585 20 0 DCADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc2c1CCNC2 ZINC000567828777 291381981 /nfs/dbraw/zinc/38/19/81/291381981.db2.gz CRAMVRPYZCJNDW-AWEZNQCLSA-N 1 3 302.378 0.139 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000567873712 291386285 /nfs/dbraw/zinc/38/62/85/291386285.db2.gz SLRBBSSTNJBVMX-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000567873711 291386529 /nfs/dbraw/zinc/38/65/29/291386529.db2.gz SLRBBSSTNJBVMX-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(CC[NH3+])CC1 ZINC000568056911 291400712 /nfs/dbraw/zinc/40/07/12/291400712.db2.gz GZHJAJXDUUOUIZ-JSGCOSHPSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000571419081 291513866 /nfs/dbraw/zinc/51/38/66/291513866.db2.gz NNOSVAZRQQMIEK-MELADBBJSA-N 1 3 312.458 0.465 20 0 DCADHO COC[C@@]1(CNC(=O)[C@@H]2CNCc3ccccc32)CCC[NH2+]1 ZINC000573486234 291635357 /nfs/dbraw/zinc/63/53/57/291635357.db2.gz HFUPSNGBDUZPQW-WBVHZDCISA-N 1 3 303.406 0.758 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419730114 284626943 /nfs/dbraw/zinc/62/69/43/284626943.db2.gz JIRKVQPJMWJXLN-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000349934705 285055217 /nfs/dbraw/zinc/05/52/17/285055217.db2.gz ONYJXBLBDAQJGK-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)N(C)C1CC1 ZINC000339647012 253121442 /nfs/dbraw/zinc/12/14/42/253121442.db2.gz FZNFXARRRJAUGA-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000340186525 253213788 /nfs/dbraw/zinc/21/37/88/253213788.db2.gz RZRSXLJAGMAGIC-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340788616 253304084 /nfs/dbraw/zinc/30/40/84/253304084.db2.gz AUNYWYRDDGOXHG-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340788616 253304086 /nfs/dbraw/zinc/30/40/86/253304086.db2.gz AUNYWYRDDGOXHG-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347027579 254123081 /nfs/dbraw/zinc/12/30/81/254123081.db2.gz IKSPVYYYSKSHOM-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347027579 254123083 /nfs/dbraw/zinc/12/30/83/254123083.db2.gz IKSPVYYYSKSHOM-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000347944024 254203605 /nfs/dbraw/zinc/20/36/05/254203605.db2.gz PIWVLYPYKQVKIZ-AWEZNQCLSA-N 1 3 322.453 0.927 20 0 DCADHO Cc1nccn1CCC[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000348754536 254252175 /nfs/dbraw/zinc/25/21/75/254252175.db2.gz AMRIBWSKSPSVGO-MRXNPFEDSA-N 1 3 319.453 0.725 20 0 DCADHO Cc1nccn1CCC[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000348754536 254252177 /nfs/dbraw/zinc/25/21/77/254252177.db2.gz AMRIBWSKSPSVGO-MRXNPFEDSA-N 1 3 319.453 0.725 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000348767299 254253963 /nfs/dbraw/zinc/25/39/63/254253963.db2.gz VZIZRIJIHFMRIE-AWEZNQCLSA-N 1 3 324.469 0.553 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000349903229 254302842 /nfs/dbraw/zinc/30/28/42/254302842.db2.gz GAMHOWMYVLDJKW-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351523419 254343381 /nfs/dbraw/zinc/34/33/81/254343381.db2.gz ODZAGWHQKMWSKG-AWEZNQCLSA-N 1 3 318.421 0.863 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000352038560 254391839 /nfs/dbraw/zinc/39/18/39/254391839.db2.gz JQKZFCNRXBZMDJ-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000352038560 254391840 /nfs/dbraw/zinc/39/18/40/254391840.db2.gz JQKZFCNRXBZMDJ-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000343438947 285322272 /nfs/dbraw/zinc/32/22/72/285322272.db2.gz NXIXVYRAVMALCM-BZUAXINKSA-N 1 3 310.486 0.764 20 0 DCADHO CSC1(CNC(=O)N2CCC[C@@H]([NH3+])C2)CCN(C)CC1 ZINC000418195402 262272337 /nfs/dbraw/zinc/27/23/37/262272337.db2.gz FXBQIIHQTHMQTM-GFCCVEGCSA-N 1 3 300.472 0.947 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418602641 262284090 /nfs/dbraw/zinc/28/40/90/262284090.db2.gz NHZBTRLUHBDRRJ-ZIAGYGMSSA-N 1 3 300.447 0.376 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1ccccc1=O ZINC000103212403 395771945 /nfs/dbraw/zinc/77/19/45/395771945.db2.gz ZMHMKQUJYCHZLF-UHFFFAOYSA-N 1 3 308.426 0.190 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237604020 395916555 /nfs/dbraw/zinc/91/65/55/395916555.db2.gz APSWHEJTDWLAAS-IJEWVQPXSA-N 1 3 309.454 0.944 20 0 DCADHO O=C(NC[C@H]1CCCN(CCOCC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000261843620 396072077 /nfs/dbraw/zinc/07/20/77/396072077.db2.gz LUHSIMYASWRCQV-HZPDHXFCSA-N 1 3 309.454 0.993 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000278310458 396118388 /nfs/dbraw/zinc/11/83/88/396118388.db2.gz SVPQUHRVVGHTMQ-MRXNPFEDSA-N 1 3 323.437 0.650 20 0 DCADHO O=C(NC[C@H]1CCCN(CCn2cccn2)C1)[C@@H]1CCC[NH2+]1 ZINC000262386924 396134410 /nfs/dbraw/zinc/13/44/10/396134410.db2.gz ZIHYXCKASJSFEM-CABCVRRESA-N 1 3 305.426 0.463 20 0 DCADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262423386 396137959 /nfs/dbraw/zinc/13/79/59/396137959.db2.gz AXUYDBRUEMEXEQ-IAGOWNOFSA-N 1 3 317.433 0.798 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261878363 396075171 /nfs/dbraw/zinc/07/51/71/396075171.db2.gz UHLAIGKUMGGHFD-CVEARBPZSA-N 1 3 321.421 0.750 20 0 DCADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262441318 396140573 /nfs/dbraw/zinc/14/05/73/396140573.db2.gz CSDKQZHQHQEMMS-KCQAQPDRSA-N 1 3 323.462 0.799 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000263255964 396209384 /nfs/dbraw/zinc/20/93/84/396209384.db2.gz QTCMPGNMGGWCRC-HIFRSBDPSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000263255964 396209387 /nfs/dbraw/zinc/20/93/87/396209387.db2.gz QTCMPGNMGGWCRC-HIFRSBDPSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000073700655 396149302 /nfs/dbraw/zinc/14/93/02/396149302.db2.gz GCYYNHPYHBFUOS-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1=O ZINC000073700655 396149306 /nfs/dbraw/zinc/14/93/06/396149306.db2.gz GCYYNHPYHBFUOS-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000176442446 396156023 /nfs/dbraw/zinc/15/60/23/396156023.db2.gz HRZFTTSXSJLHED-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000263265365 396210182 /nfs/dbraw/zinc/21/01/82/396210182.db2.gz UZRDPGFRWINADA-HOCLYGCPSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262717683 396175646 /nfs/dbraw/zinc/17/56/46/396175646.db2.gz WPTIDEKSLKQYLK-AWEZNQCLSA-N 1 3 320.437 0.623 20 0 DCADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCN2CCC[C@H]2C1 ZINC000262774200 396180918 /nfs/dbraw/zinc/18/09/18/396180918.db2.gz MSMBHNBSGXGAKO-KBPBESRZSA-N 1 3 303.410 0.728 20 0 DCADHO C[C@H](CS(C)(=O)=O)[NH2+]CC1CCN(CCN(C)C)CC1 ZINC000182834239 396254854 /nfs/dbraw/zinc/25/48/54/396254854.db2.gz IDSNFTBRQXYBAI-CYBMUJFWSA-N 1 3 305.488 0.283 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000080061111 396274352 /nfs/dbraw/zinc/27/43/52/396274352.db2.gz ZKNVATSUPMUQRJ-CYBMUJFWSA-N 1 3 307.442 0.466 20 0 DCADHO CCC[NH+]1CCC(NC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000080458197 396280811 /nfs/dbraw/zinc/28/08/11/396280811.db2.gz INYQTSPIMRRFRN-UHFFFAOYSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H](Cn1ccnc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077749399 396230951 /nfs/dbraw/zinc/23/09/51/396230951.db2.gz NWRGOSWMIDIVAL-CQSZACIVSA-N 1 3 310.446 0.406 20 0 DCADHO C[NH+](C)C/C=C/C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000269484418 396417958 /nfs/dbraw/zinc/41/79/58/396417958.db2.gz BMSWRRUPZLIYQJ-JZLODUJNSA-N 1 3 317.433 0.640 20 0 DCADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](C)C1 ZINC000581777580 396583226 /nfs/dbraw/zinc/58/32/26/396583226.db2.gz WTZKLEZBBHHXOK-YHUYYLMFSA-N 1 3 324.469 0.737 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000519754202 396525167 /nfs/dbraw/zinc/52/51/67/396525167.db2.gz FXRMFDNSWZPAEZ-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)CCN1CCC([NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000595142635 396556181 /nfs/dbraw/zinc/55/61/81/396556181.db2.gz QNWMJKWTZZNDAE-CQSZACIVSA-N 1 3 306.458 0.540 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C2CC[NH2+]CC2)CC1 ZINC000582006005 396601099 /nfs/dbraw/zinc/60/10/99/396601099.db2.gz VFDDPBVDOOUBLE-UHFFFAOYSA-N 1 3 303.410 0.772 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000373961610 396626218 /nfs/dbraw/zinc/62/62/18/396626218.db2.gz GRZUFCWEHOCTBJ-JKSUJKDBSA-N 1 3 324.469 0.977 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(CCn2ccccc2=O)CC1 ZINC000586830643 396668375 /nfs/dbraw/zinc/66/83/75/396668375.db2.gz OOHLLGQWPBHRGD-UHFFFAOYSA-N 1 3 320.437 0.238 20 0 DCADHO CC[NH2+]CC1CCN([C@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000595889855 396676492 /nfs/dbraw/zinc/67/64/92/396676492.db2.gz DBRHMFBTLGKKHX-AWEZNQCLSA-N 1 3 311.426 0.472 20 0 DCADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1F ZINC000629558012 396787003 /nfs/dbraw/zinc/78/70/03/396787003.db2.gz NWJQFZKQBOIZFP-CYBMUJFWSA-N 1 3 309.385 0.602 20 0 DCADHO O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CN2CCN1CCC2 ZINC000563645539 396765986 /nfs/dbraw/zinc/76/59/86/396765986.db2.gz YAADEFDLOSDXEP-MRXNPFEDSA-N 1 3 308.470 0.805 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC000563952722 396797729 /nfs/dbraw/zinc/79/77/29/396797729.db2.gz QYDKMDWBRSEYAH-CABCVRRESA-N 1 3 300.443 0.864 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC000563952722 396797730 /nfs/dbraw/zinc/79/77/30/396797730.db2.gz QYDKMDWBRSEYAH-CABCVRRESA-N 1 3 300.443 0.864 20 0 DCADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000563952722 396797733 /nfs/dbraw/zinc/79/77/33/396797733.db2.gz QYDKMDWBRSEYAH-CABCVRRESA-N 1 3 300.443 0.864 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000634251356 396820683 /nfs/dbraw/zinc/82/06/83/396820683.db2.gz IZUVMJRJMBFIBA-ZQDZILKHSA-N 1 3 324.469 0.479 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000634251356 396820687 /nfs/dbraw/zinc/82/06/87/396820687.db2.gz IZUVMJRJMBFIBA-ZQDZILKHSA-N 1 3 324.469 0.479 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000564584858 396845174 /nfs/dbraw/zinc/84/51/74/396845174.db2.gz IFBHIVDLTVQRLC-AWEZNQCLSA-N 1 3 324.469 0.420 20 0 DCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1)[C@H]1CCC[NH2+]1 ZINC000564728060 396861452 /nfs/dbraw/zinc/86/14/52/396861452.db2.gz ASFCJDLEFBDANI-ZNMIVQPWSA-N 1 3 322.453 0.235 20 0 DCADHO CCN1CCN([C@@H]2CCN(C[C@@H](O)C[N@H+](C)C(C)C)C2)CC1 ZINC000590603587 396813946 /nfs/dbraw/zinc/81/39/46/396813946.db2.gz XLSWRFWJFQATAY-SJORKVTESA-N 1 3 312.502 0.399 20 0 DCADHO CCN1CCN([C@@H]2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C2)CC1 ZINC000590603587 396813949 /nfs/dbraw/zinc/81/39/49/396813949.db2.gz XLSWRFWJFQATAY-SJORKVTESA-N 1 3 312.502 0.399 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000332578838 396888217 /nfs/dbraw/zinc/88/82/17/396888217.db2.gz ALZVQKFSKSTMCW-IPYPFGDCSA-N 1 3 322.453 0.267 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C2CCOCC2)CCCO1 ZINC000564954561 396909379 /nfs/dbraw/zinc/90/93/79/396909379.db2.gz USOJMSAUKPIOSB-HUUCEWRRSA-N 1 3 311.426 0.206 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000569868542 396919730 /nfs/dbraw/zinc/91/97/30/396919730.db2.gz GQCRDYUPDYDRMG-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO [NH3+]C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000570943668 396940381 /nfs/dbraw/zinc/94/03/81/396940381.db2.gz FVTAUISCASNFGE-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000571422985 396951354 /nfs/dbraw/zinc/95/13/54/396951354.db2.gz BGIBDGNAFOROHH-WMLDXEAASA-N 1 3 322.453 0.189 20 0 DCADHO CCS(=O)(=O)N(C)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067644 396954849 /nfs/dbraw/zinc/95/48/49/396954849.db2.gz BRRTURZKPUCTCV-UONOGXRCSA-N 1 3 303.472 0.874 20 0 DCADHO CCS(=O)(=O)N(C)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067644 396954854 /nfs/dbraw/zinc/95/48/54/396954854.db2.gz BRRTURZKPUCTCV-UONOGXRCSA-N 1 3 303.472 0.874 20 0 DCADHO COCCN(C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376766651 396974792 /nfs/dbraw/zinc/97/47/92/396974792.db2.gz LMHBREDAHUETTO-YIONKMFJSA-N 1 3 312.458 0.831 20 0 DCADHO COCCN(C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376766651 396974797 /nfs/dbraw/zinc/97/47/97/396974797.db2.gz LMHBREDAHUETTO-YIONKMFJSA-N 1 3 312.458 0.831 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000612549306 397090660 /nfs/dbraw/zinc/09/06/60/397090660.db2.gz XEGIOFFBJGWSLB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000612549306 397090665 /nfs/dbraw/zinc/09/06/65/397090665.db2.gz XEGIOFFBJGWSLB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000612550268 397094446 /nfs/dbraw/zinc/09/44/46/397094446.db2.gz DIGPCORPUFHDOB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000612550268 397094451 /nfs/dbraw/zinc/09/44/51/397094451.db2.gz DIGPCORPUFHDOB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630740641 397096629 /nfs/dbraw/zinc/09/66/29/397096629.db2.gz FHIULGRIVUJXJK-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](N)c3ccccc3)C2)CC1 ZINC000377198223 397047078 /nfs/dbraw/zinc/04/70/78/397047078.db2.gz OPYNYGNIFHWDBX-NVXWUHKLSA-N 1 3 316.449 0.971 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](N)c3ccccc3)C2)CC1 ZINC000377198223 397047081 /nfs/dbraw/zinc/04/70/81/397047081.db2.gz OPYNYGNIFHWDBX-NVXWUHKLSA-N 1 3 316.449 0.971 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](N)c3ccccc3)C2)CC1 ZINC000377198223 397047084 /nfs/dbraw/zinc/04/70/84/397047084.db2.gz OPYNYGNIFHWDBX-NVXWUHKLSA-N 1 3 316.449 0.971 20 0 DCADHO CN(C)CCn1cc(C(=O)N(C)CC2CC[NH+](C)CC2)cn1 ZINC000630925600 397136579 /nfs/dbraw/zinc/13/65/79/397136579.db2.gz LDGNIPYPLDASEJ-UHFFFAOYSA-N 1 3 307.442 0.859 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612975602 397167921 /nfs/dbraw/zinc/16/79/21/397167921.db2.gz DZXNLPSMBQOTNO-AWEZNQCLSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612981467 397170961 /nfs/dbraw/zinc/17/09/61/397170961.db2.gz BITAHTOXECNVMU-UONOGXRCSA-N 1 3 310.442 0.275 20 0 DCADHO C[C@H](NCCN1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000574138954 397238929 /nfs/dbraw/zinc/23/89/29/397238929.db2.gz JSBWWDFUMKELOZ-HOTGVXAUSA-N 1 3 318.469 0.576 20 0 DCADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCN4CCC[C@@H]4C3)c21 ZINC000592959615 397304859 /nfs/dbraw/zinc/30/48/59/397304859.db2.gz NIVWKDIRXKQVOX-QWHCGFSZSA-N 1 3 303.410 0.639 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398032462 397313029 /nfs/dbraw/zinc/31/30/29/397313029.db2.gz NWFFWXKBNGMEDD-DOTOQJQBSA-N 1 3 316.449 0.671 20 0 DCADHO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000626854820 397263602 /nfs/dbraw/zinc/26/36/02/397263602.db2.gz JERDWELJBPZPLR-UHFFFAOYSA-N 1 3 322.409 0.373 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)CN1CCN(C)CC1 ZINC000366000520 397336170 /nfs/dbraw/zinc/33/61/70/397336170.db2.gz LTFUHKRYFWNYII-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)C[NH+]1CCCCC1 ZINC000420067765 397385209 /nfs/dbraw/zinc/38/52/09/397385209.db2.gz SZMXPLLTWRLWLD-TZMCWYRMSA-N 1 3 310.442 0.078 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000414909866 397368282 /nfs/dbraw/zinc/36/82/82/397368282.db2.gz GTSLRFLKILFRQC-AWEZNQCLSA-N 1 3 318.421 0.897 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000419289084 397379879 /nfs/dbraw/zinc/37/98/79/397379879.db2.gz SMKBUTBHVRJGSV-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000578490419 397441751 /nfs/dbraw/zinc/44/17/51/397441751.db2.gz HFVCIYUNIQSGNQ-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H](CN)C1 ZINC000578489135 397442199 /nfs/dbraw/zinc/44/21/99/397442199.db2.gz GVIVBVDNBOAZNN-UKRRQHHQSA-N 1 3 309.458 0.288 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@H](CN)C1 ZINC000578489135 397442203 /nfs/dbraw/zinc/44/22/03/397442203.db2.gz GVIVBVDNBOAZNN-UKRRQHHQSA-N 1 3 309.458 0.288 20 0 DCADHO CCS(=O)(=O)N1CC(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000578518709 397446798 /nfs/dbraw/zinc/44/67/98/397446798.db2.gz ASIOOKQCMGMEJX-SOUVJXGZSA-N 1 3 315.483 0.778 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471651035 397451552 /nfs/dbraw/zinc/45/15/52/397451552.db2.gz ZIOYQMLOWFIDOW-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471651035 397451557 /nfs/dbraw/zinc/45/15/57/397451557.db2.gz ZIOYQMLOWFIDOW-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000370302405 397467017 /nfs/dbraw/zinc/46/70/17/397467017.db2.gz WKMSWQPEJGGUOL-QXSJWSMHSA-N 1 3 324.469 0.831 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000370302405 397467022 /nfs/dbraw/zinc/46/70/22/397467022.db2.gz WKMSWQPEJGGUOL-QXSJWSMHSA-N 1 3 324.469 0.831 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000578618520 397460267 /nfs/dbraw/zinc/46/02/67/397460267.db2.gz CYTBDSQWQNYUSS-HHARLNAUSA-N 1 3 311.470 0.673 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000487501744 397474475 /nfs/dbraw/zinc/47/44/75/397474475.db2.gz OVODMSZADOOOTR-OFQRWUPVSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000487501744 397474478 /nfs/dbraw/zinc/47/44/78/397474478.db2.gz OVODMSZADOOOTR-OFQRWUPVSA-N 1 3 309.454 0.896 20 0 DCADHO CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000579960502 397600846 /nfs/dbraw/zinc/60/08/46/397600846.db2.gz WSURYDCICJXZHF-SQNIBIBYSA-N 1 3 319.449 0.765 20 0 DCADHO CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000579960502 397600848 /nfs/dbraw/zinc/60/08/48/397600848.db2.gz WSURYDCICJXZHF-SQNIBIBYSA-N 1 3 319.449 0.765 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000603782768 397621219 /nfs/dbraw/zinc/62/12/19/397621219.db2.gz IFDGEVHPSSUEIT-JKSUJKDBSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000603782768 397621222 /nfs/dbraw/zinc/62/12/22/397621222.db2.gz IFDGEVHPSSUEIT-JKSUJKDBSA-N 1 3 308.470 0.708 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000603782768 397621223 /nfs/dbraw/zinc/62/12/23/397621223.db2.gz IFDGEVHPSSUEIT-JKSUJKDBSA-N 1 3 308.470 0.708 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000605880984 397673283 /nfs/dbraw/zinc/67/32/83/397673283.db2.gz KFWYNFQNWPCNGR-LSDHHAIUSA-N 1 3 310.442 0.491 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000605880984 397673284 /nfs/dbraw/zinc/67/32/84/397673284.db2.gz KFWYNFQNWPCNGR-LSDHHAIUSA-N 1 3 310.442 0.491 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2C[NH+](C)C)CC1=O ZINC000608012911 397714083 /nfs/dbraw/zinc/71/40/83/397714083.db2.gz MAYRLGILYOUUKN-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCOCC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364458896 286130393 /nfs/dbraw/zinc/13/03/93/286130393.db2.gz IFRYBEONFOFJPR-WBVHZDCISA-N 1 3 313.486 0.874 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000114076181 158149984 /nfs/dbraw/zinc/14/99/84/158149984.db2.gz FRSVCQWKPVZWIH-MRXNPFEDSA-N 1 3 319.453 0.900 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC000123616711 158231289 /nfs/dbraw/zinc/23/12/89/158231289.db2.gz YTSXHOXCZZIWLM-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC000123616711 158231290 /nfs/dbraw/zinc/23/12/90/158231290.db2.gz YTSXHOXCZZIWLM-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CN(C)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000133560536 158321096 /nfs/dbraw/zinc/32/10/96/158321096.db2.gz QCMDRNMTSZKVMN-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO CC(C)(CNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCCCC1 ZINC000367166963 159318365 /nfs/dbraw/zinc/31/83/65/159318365.db2.gz BOLTVAMUFPTRCW-OAHLLOKOSA-N 1 3 308.470 0.757 20 0 DCADHO NC[C@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)C1CC1 ZINC000418937881 287253358 /nfs/dbraw/zinc/25/33/58/287253358.db2.gz OQUQYMLYYAHORT-HNNXBMFYSA-N 1 3 324.469 0.612 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418945748 287255952 /nfs/dbraw/zinc/25/59/52/287255952.db2.gz LVMRABXQDZUUGD-KGLIPLIRSA-N 1 3 320.437 0.334 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418953526 287256985 /nfs/dbraw/zinc/25/69/85/287256985.db2.gz WKQPMBBWROUHND-BBRMVZONSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418997086 287260933 /nfs/dbraw/zinc/26/09/33/287260933.db2.gz KQXRCNMZAGKDGX-CQSZACIVSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419021585 287262025 /nfs/dbraw/zinc/26/20/25/287262025.db2.gz HBVCNJUNAYCTIE-RFQIPJPRSA-N 1 3 312.458 0.275 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419022366 287262061 /nfs/dbraw/zinc/26/20/61/287262061.db2.gz IGEQYSNZVJCCFQ-QKGCVVFFSA-N 1 3 324.469 0.275 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419021586 287262117 /nfs/dbraw/zinc/26/21/17/287262117.db2.gz HBVCNJUNAYCTIE-RQJABVFESA-N 1 3 312.458 0.275 20 0 DCADHO Cn1cc(N2CCC[C@@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)cn1 ZINC000420335585 287291210 /nfs/dbraw/zinc/29/12/10/287291210.db2.gz LRXTUYSTQVFFKH-IJEWVQPXSA-N 1 3 317.437 0.847 20 0 DCADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341433 287292485 /nfs/dbraw/zinc/29/24/85/287292485.db2.gz OJZIBTUJQBTNTB-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352351123 415143454 /nfs/dbraw/zinc/14/34/54/415143454.db2.gz WFFSNNBWAHAJIM-WMLDXEAASA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352351123 415143459 /nfs/dbraw/zinc/14/34/59/415143459.db2.gz WFFSNNBWAHAJIM-WMLDXEAASA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000332085357 415237154 /nfs/dbraw/zinc/23/71/54/415237154.db2.gz FMVVUKYDQQLWKB-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO NC(=O)CNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422892836 287301907 /nfs/dbraw/zinc/30/19/07/287301907.db2.gz NXSKXNWODQZFAK-HUUCEWRRSA-N 1 3 318.421 0.651 20 0 DCADHO NC(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422890216 287301924 /nfs/dbraw/zinc/30/19/24/287301924.db2.gz ROCPAMQMYXTCJH-WCVJEAGWSA-N 1 3 308.470 0.837 20 0 DCADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCCN1C ZINC000332289392 415332749 /nfs/dbraw/zinc/33/27/49/415332749.db2.gz HCGLCQZDTDQSCO-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCCN1C ZINC000332289392 415332752 /nfs/dbraw/zinc/33/27/52/415332752.db2.gz HCGLCQZDTDQSCO-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000074053280 415427795 /nfs/dbraw/zinc/42/77/95/415427795.db2.gz MSUFHLNHJYGUNX-HNNXBMFYSA-N 1 3 313.490 0.509 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000074053280 415427799 /nfs/dbraw/zinc/42/77/99/415427799.db2.gz MSUFHLNHJYGUNX-HNNXBMFYSA-N 1 3 313.490 0.509 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCN(C)CCCOC ZINC000074490633 415428524 /nfs/dbraw/zinc/42/85/24/415428524.db2.gz QQFZAJUSRXVVMD-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCCN(C)CCCOC ZINC000074490633 415428531 /nfs/dbraw/zinc/42/85/31/415428531.db2.gz QQFZAJUSRXVVMD-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C[C@@H]1C ZINC000343282942 415528698 /nfs/dbraw/zinc/52/86/98/415528698.db2.gz BEEUQSWRNDFNCX-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C[C@@H]1C ZINC000343282942 415528705 /nfs/dbraw/zinc/52/87/05/415528705.db2.gz BEEUQSWRNDFNCX-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000343315361 415553631 /nfs/dbraw/zinc/55/36/31/415553631.db2.gz XIZXSUGFYFTRMK-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1C[C@@H](CN2CCN(c3cncc4ncnn43)CC2)CC[NH2+]1 ZINC000333124807 415564242 /nfs/dbraw/zinc/56/42/42/415564242.db2.gz HAPNTCJIHUNYAG-KBPBESRZSA-N 1 3 315.425 0.634 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000343511733 415622665 /nfs/dbraw/zinc/62/26/65/415622665.db2.gz AVDSNQNZORQEHN-DLBZAZTESA-N 1 3 320.481 0.711 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC2CCC(C[NH3+])CC2)CC1=O ZINC000343601088 415652097 /nfs/dbraw/zinc/65/20/97/415652097.db2.gz PTFLQSOLIMEQPB-YMAMQOFZSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCN1C ZINC000333560728 415685213 /nfs/dbraw/zinc/68/52/13/415685213.db2.gz KWULIRLBCKFDPG-REBRKWNGSA-N 1 3 320.441 0.339 20 0 DCADHO CCN1CC[C@@H](N(C)C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)[C@H](C)C1 ZINC000343776995 415723287 /nfs/dbraw/zinc/72/32/87/415723287.db2.gz WRDLJNKBQBASLT-MOTUXRJWSA-N 1 3 321.465 0.990 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000343976440 415805491 /nfs/dbraw/zinc/80/54/91/415805491.db2.gz JQVNPGKNZRLMPU-IAGOWNOFSA-N 1 3 320.481 0.757 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000343976440 415805498 /nfs/dbraw/zinc/80/54/98/415805498.db2.gz JQVNPGKNZRLMPU-IAGOWNOFSA-N 1 3 320.481 0.757 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356220496 415884699 /nfs/dbraw/zinc/88/46/99/415884699.db2.gz IIEYAKKCUPULMB-AWEZNQCLSA-N 1 3 305.426 0.947 20 0 DCADHO CCC[N@H+](CCN1CCCC1=O)CCN1CCN(CC)CC1 ZINC000344149843 415853046 /nfs/dbraw/zinc/85/30/46/415853046.db2.gz SCVOSNSOQZWGHS-UHFFFAOYSA-N 1 3 310.486 0.958 20 0 DCADHO CCC[N@@H+](CCN1CCCC1=O)CCN1CCN(CC)CC1 ZINC000344149843 415853050 /nfs/dbraw/zinc/85/30/50/415853050.db2.gz SCVOSNSOQZWGHS-UHFFFAOYSA-N 1 3 310.486 0.958 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337548193 415974952 /nfs/dbraw/zinc/97/49/52/415974952.db2.gz OBHUUBQLOUCWJZ-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337548193 415974953 /nfs/dbraw/zinc/97/49/53/415974953.db2.gz OBHUUBQLOUCWJZ-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337548198 415975353 /nfs/dbraw/zinc/97/53/53/415975353.db2.gz OBHUUBQLOUCWJZ-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337548198 415975357 /nfs/dbraw/zinc/97/53/57/415975357.db2.gz OBHUUBQLOUCWJZ-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000337690769 415996816 /nfs/dbraw/zinc/99/68/16/415996816.db2.gz UKUQZGUUYZTNHP-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000337690769 415996817 /nfs/dbraw/zinc/99/68/17/415996817.db2.gz UKUQZGUUYZTNHP-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000338082936 416042225 /nfs/dbraw/zinc/04/22/25/416042225.db2.gz OIJIFZNYRDVHEC-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000338082936 416042230 /nfs/dbraw/zinc/04/22/30/416042230.db2.gz OIJIFZNYRDVHEC-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000173397504 416057250 /nfs/dbraw/zinc/05/72/50/416057250.db2.gz BECKYJYVDOXBGC-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000173397504 416057252 /nfs/dbraw/zinc/05/72/52/416057252.db2.gz BECKYJYVDOXBGC-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO CS[C@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@H]1[NH+](C)C ZINC000338275426 416069721 /nfs/dbraw/zinc/06/97/21/416069721.db2.gz IQICQEZKFBKCSW-KGLIPLIRSA-N 1 3 314.499 0.128 20 0 DCADHO C[C@@H]1[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)CCCN1C ZINC000345572880 416118639 /nfs/dbraw/zinc/11/86/39/416118639.db2.gz PGPMPVCZQRRHDP-UKRRQHHQSA-N 1 3 312.458 0.473 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000346524751 416197204 /nfs/dbraw/zinc/19/72/04/416197204.db2.gz GJBVSMLJMRYAFI-ZFWWWQNUSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000346524751 416197208 /nfs/dbraw/zinc/19/72/08/416197208.db2.gz GJBVSMLJMRYAFI-ZFWWWQNUSA-N 1 3 324.469 0.384 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341092818 416202510 /nfs/dbraw/zinc/20/25/10/416202510.db2.gz DYBIRFAXCXKPIE-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415537075 416346735 /nfs/dbraw/zinc/34/67/35/416346735.db2.gz GIBYPUVBXAFXOG-CQSZACIVSA-N 1 3 318.421 0.849 20 0 DCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000237049659 416328456 /nfs/dbraw/zinc/32/84/56/416328456.db2.gz LSYPYBPOKNSLSO-HRCADAONSA-N 1 3 310.486 0.988 20 0 DCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000237049659 416328457 /nfs/dbraw/zinc/32/84/57/416328457.db2.gz LSYPYBPOKNSLSO-HRCADAONSA-N 1 3 310.486 0.988 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419891916 416414718 /nfs/dbraw/zinc/41/47/18/416414718.db2.gz UKUFYDMSQKOYKL-GFCCVEGCSA-N 1 3 324.450 0.116 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420123756 416417587 /nfs/dbraw/zinc/41/75/87/416417587.db2.gz MHOWHBCPXKMEFW-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CNCCO1)C(C)(C)C ZINC000417683222 416383825 /nfs/dbraw/zinc/38/38/25/416383825.db2.gz UPQHUTWGQRXVHH-CHWSQXEVSA-N 1 3 300.447 0.640 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418447139 416387188 /nfs/dbraw/zinc/38/71/88/416387188.db2.gz OZTUZSAMCZGFJZ-LSDHHAIUSA-N 1 3 314.474 0.896 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000360416299 416389147 /nfs/dbraw/zinc/38/91/47/416389147.db2.gz GBWWOCXJVDPZQF-HZPDHXFCSA-N 1 3 318.469 0.528 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000360416299 416389148 /nfs/dbraw/zinc/38/91/48/416389148.db2.gz GBWWOCXJVDPZQF-HZPDHXFCSA-N 1 3 318.469 0.528 20 0 DCADHO C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000418766496 416389888 /nfs/dbraw/zinc/38/98/88/416389888.db2.gz MVKLRDQDIATCLS-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419415077 416400898 /nfs/dbraw/zinc/40/08/98/416400898.db2.gz UQGLWXJSVMNCTA-CABCVRRESA-N 1 3 324.469 0.340 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419526500 416403458 /nfs/dbraw/zinc/40/34/58/416403458.db2.gz TYDARCOLKKQUBS-GBJTYRQASA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419770859 416410198 /nfs/dbraw/zinc/41/01/98/416410198.db2.gz XCWINPFEILDSJN-CQSZACIVSA-N 1 3 312.458 0.422 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000419794078 416412116 /nfs/dbraw/zinc/41/21/16/416412116.db2.gz DKZOUXKJZBJBJB-CQSZACIVSA-N 1 3 314.474 0.711 20 0 DCADHO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccnc(CN)c2)CC1 ZINC000361626564 416463994 /nfs/dbraw/zinc/46/39/94/416463994.db2.gz IXFHYXWFCSNXNO-CYBMUJFWSA-N 1 3 305.426 0.296 20 0 DCADHO CN1CCN(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1(C)C ZINC000423100951 416465463 /nfs/dbraw/zinc/46/54/63/416465463.db2.gz NDBCIVRNRSXYCE-JKSUJKDBSA-N 1 3 310.486 0.369 20 0 DCADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000423171900 416471847 /nfs/dbraw/zinc/47/18/47/416471847.db2.gz QLUCCNXYQKZXBD-KBPBESRZSA-N 1 3 308.426 0.023 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000423197740 416476038 /nfs/dbraw/zinc/47/60/38/416476038.db2.gz AVRFXDKLYKOTMW-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422292295 416425052 /nfs/dbraw/zinc/42/50/52/416425052.db2.gz IJYYTPWUIIHDAO-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422292295 416425053 /nfs/dbraw/zinc/42/50/53/416425053.db2.gz IJYYTPWUIIHDAO-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCN1CCCOCC1 ZINC000361328268 416429650 /nfs/dbraw/zinc/42/96/50/416429650.db2.gz JPOHMVNSWYUEQM-IKGGRYGDSA-N 1 3 311.470 0.892 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CN1C1CC1 ZINC000422410455 416429932 /nfs/dbraw/zinc/42/99/32/416429932.db2.gz GDNCYOKVTWVIJE-NFAWXSAZSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CN1C1CC1 ZINC000422410455 416429933 /nfs/dbraw/zinc/42/99/33/416429933.db2.gz GDNCYOKVTWVIJE-NFAWXSAZSA-N 1 3 322.453 0.280 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422483638 416434308 /nfs/dbraw/zinc/43/43/08/416434308.db2.gz ASKKJFATPOMMAT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422483638 416434309 /nfs/dbraw/zinc/43/43/09/416434309.db2.gz ASKKJFATPOMMAT-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422622506 416442554 /nfs/dbraw/zinc/44/25/54/416442554.db2.gz SPQNKTOETXCBJF-UHFFFAOYSA-N 1 3 323.441 0.949 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422627188 416442878 /nfs/dbraw/zinc/44/28/78/416442878.db2.gz NESXKPUXTRSTJY-NRXISQOPSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435622089 416527806 /nfs/dbraw/zinc/52/78/06/416527806.db2.gz PNZFGQCDXBPGID-SNVBAGLBSA-N 1 3 324.347 0.839 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000423737086 416553131 /nfs/dbraw/zinc/55/31/31/416553131.db2.gz DKUIOFZUPXTVOA-NWDGAFQWSA-N 1 3 322.375 0.505 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000423737086 416553135 /nfs/dbraw/zinc/55/31/35/416553135.db2.gz DKUIOFZUPXTVOA-NWDGAFQWSA-N 1 3 322.375 0.505 20 0 DCADHO COC[C@@]1(C(=O)NCc2cccc(CN(C)C)c2)CC[NH2+]C1 ZINC000423338463 416494249 /nfs/dbraw/zinc/49/42/49/416494249.db2.gz ZFNOVYXKXAJTQE-QGZVFWFLSA-N 1 3 305.422 0.991 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCCO1 ZINC000458723892 416495210 /nfs/dbraw/zinc/49/52/10/416495210.db2.gz OQLFGRYVWYMKGJ-OWCLPIDISA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCCO1 ZINC000458723892 416495215 /nfs/dbraw/zinc/49/52/15/416495215.db2.gz OQLFGRYVWYMKGJ-OWCLPIDISA-N 1 3 324.469 0.833 20 0 DCADHO COc1ccc([C@H](NC[C@H]2CNCCN2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423485535 416517834 /nfs/dbraw/zinc/51/78/34/416517834.db2.gz AVLICDHOTROVND-NXHRZFHOSA-N 1 3 318.465 0.982 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423505466 416519038 /nfs/dbraw/zinc/51/90/38/416519038.db2.gz LOLBOOFMMJBMLD-UONOGXRCSA-N 1 3 312.458 0.371 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000535430274 416520706 /nfs/dbraw/zinc/52/07/06/416520706.db2.gz YANQZJYBIQYQAK-OAHLLOKOSA-N 1 3 311.474 0.406 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCC[NH2+]C)CC1=O ZINC000424015762 416605160 /nfs/dbraw/zinc/60/51/60/416605160.db2.gz AEOADYSAKRMSKR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424138053 416615735 /nfs/dbraw/zinc/61/57/35/416615735.db2.gz SZLQBFJICLFUDL-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424158169 416619630 /nfs/dbraw/zinc/61/96/30/416619630.db2.gz QQTHLWXFEAMCIJ-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424158165 416619738 /nfs/dbraw/zinc/61/97/38/416619738.db2.gz QQTHLWXFEAMCIJ-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@@H]1CCC[NH2+]C1 ZINC000424249571 416633201 /nfs/dbraw/zinc/63/32/01/416633201.db2.gz YHNQDWHSAAEDLB-LUYZLQTOSA-N 1 3 319.453 0.699 20 0 DCADHO [NH3+]C1(CNC(=O)CNC2CC2)CCN(Cc2ccccc2)CC1 ZINC000514601822 416663581 /nfs/dbraw/zinc/66/35/81/416663581.db2.gz FJOWMBNAQDFDBJ-UHFFFAOYSA-N 1 3 316.449 0.848 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425395442 416700012 /nfs/dbraw/zinc/70/00/12/416700012.db2.gz XSFPUKGHTRYRRT-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425395442 416700016 /nfs/dbraw/zinc/70/00/16/416700016.db2.gz XSFPUKGHTRYRRT-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425658569 416718914 /nfs/dbraw/zinc/71/89/14/416718914.db2.gz UXHGDBRHHCHJEW-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425658569 416718917 /nfs/dbraw/zinc/71/89/17/416718917.db2.gz UXHGDBRHHCHJEW-LSDHHAIUSA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000557137715 416725878 /nfs/dbraw/zinc/72/58/78/416725878.db2.gz DGAAWVRNSWIVEF-JKSUJKDBSA-N 1 3 319.453 0.574 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000425916399 416737071 /nfs/dbraw/zinc/73/70/71/416737071.db2.gz BDDABCCTERDYMY-HIFRSBDPSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000425916399 416737077 /nfs/dbraw/zinc/73/70/77/416737077.db2.gz BDDABCCTERDYMY-HIFRSBDPSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)CN1CCN(C)CC1 ZINC000426408012 416766430 /nfs/dbraw/zinc/76/64/30/416766430.db2.gz ATBXZDMADPCDRF-OAHLLOKOSA-N 1 3 322.497 0.861 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000517235637 416791102 /nfs/dbraw/zinc/79/11/02/416791102.db2.gz VCNKISOTMOYKRY-HZSPNIEDSA-N 1 3 315.483 0.812 20 0 DCADHO CN(C)C1(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)CCCC1 ZINC000631912621 416795345 /nfs/dbraw/zinc/79/53/45/416795345.db2.gz QVGODIKBURJRCN-UHFFFAOYSA-N 1 3 318.487 0.379 20 0 DCADHO CC[C@H](C)N(C)CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917821 416797163 /nfs/dbraw/zinc/79/71/63/416797163.db2.gz OYAUGJXTDNFLNR-LBPRGKRZSA-N 1 3 306.476 0.235 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000517541592 416808763 /nfs/dbraw/zinc/80/87/63/416808763.db2.gz QSVPPZPLNUMXCK-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)CCCN3CCCC3)C[C@H]21 ZINC000631930840 416810633 /nfs/dbraw/zinc/81/06/33/416810633.db2.gz ALBIRRNCSVDEAY-RBSFLKMASA-N 1 3 315.483 0.861 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000565238290 416955836 /nfs/dbraw/zinc/95/58/36/416955836.db2.gz GDUMOTYSQMGUON-GJZGRUSLSA-N 1 3 316.405 0.132 20 0 DCADHO C[C@H](Nc1nc(N)nc(N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624090505 416958042 /nfs/dbraw/zinc/95/80/42/416958042.db2.gz ZBUPJLPMRWCAME-AAEUAGOBSA-N 1 3 313.409 0.441 20 0 DCADHO C[C@H](Nc1nc(N)nc(N)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624090505 416958049 /nfs/dbraw/zinc/95/80/49/416958049.db2.gz ZBUPJLPMRWCAME-AAEUAGOBSA-N 1 3 313.409 0.441 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000519538530 416910180 /nfs/dbraw/zinc/91/01/80/416910180.db2.gz JELFLLPGBUKSOW-SJORKVTESA-N 1 3 319.449 0.765 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000519526869 416911299 /nfs/dbraw/zinc/91/12/99/416911299.db2.gz YFDCGBPDNWMROL-KGLIPLIRSA-N 1 3 310.442 0.092 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1=O ZINC000519550911 416916636 /nfs/dbraw/zinc/91/66/36/416916636.db2.gz YWWWSHSDHAFWGF-LXTVHRRPSA-N 1 3 324.469 0.561 20 0 DCADHO C[NH2+]CCCN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000565361764 416970029 /nfs/dbraw/zinc/97/00/29/416970029.db2.gz YATLWISPWQKUMB-KRWDZBQOSA-N 1 3 316.405 0.792 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000520564800 416971995 /nfs/dbraw/zinc/97/19/95/416971995.db2.gz AMMDJUCCSSZXJU-UONOGXRCSA-N 1 3 318.487 0.379 20 0 DCADHO CN(CCC(=O)N1CCN(C)CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000429692009 416988543 /nfs/dbraw/zinc/98/85/43/416988543.db2.gz YVYVKHXOJSVLDO-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CN(CCC(=O)N1CCN(C)CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000429692009 416988548 /nfs/dbraw/zinc/98/85/48/416988548.db2.gz YVYVKHXOJSVLDO-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CN1CCN(C(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)CC1 ZINC000429692009 416988554 /nfs/dbraw/zinc/98/85/54/416988554.db2.gz YVYVKHXOJSVLDO-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CN1CCN(C(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)CC1 ZINC000429692009 416988563 /nfs/dbraw/zinc/98/85/63/416988563.db2.gz YVYVKHXOJSVLDO-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000565526041 416989083 /nfs/dbraw/zinc/98/90/83/416989083.db2.gz MNZXJRORKSFWQZ-QGZVFWFLSA-N 1 3 324.469 0.341 20 0 DCADHO Cn1cncc1CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000641798891 417004719 /nfs/dbraw/zinc/00/47/19/417004719.db2.gz PNIZNZIHRJHHDU-ZBFHGGJFSA-N 1 3 319.453 0.543 20 0 DCADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NC1CCN(C2CC2)CC1 ZINC000431039865 417098247 /nfs/dbraw/zinc/09/82/47/417098247.db2.gz YXIFIEBRFGANSX-UHFFFAOYSA-N 1 3 320.481 0.805 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000642789434 417100665 /nfs/dbraw/zinc/10/06/65/417100665.db2.gz GTDGWOCRYDVTKZ-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000521986762 417038654 /nfs/dbraw/zinc/03/86/54/417038654.db2.gz UIUWQMNXBMAICM-BETUJISGSA-N 1 3 310.442 0.489 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785757 417102286 /nfs/dbraw/zinc/10/22/86/417102286.db2.gz HTNKAQCYZGSMBE-GJZGRUSLSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642439285 417051451 /nfs/dbraw/zinc/05/14/51/417051451.db2.gz AFCKZTNNQILVSA-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642431173 417051961 /nfs/dbraw/zinc/05/19/61/417051961.db2.gz KVDNYJJLAMHYKQ-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000642439692 417053356 /nfs/dbraw/zinc/05/33/56/417053356.db2.gz NKGJKHQQOWESIN-YOEHRIQHSA-N 1 3 322.453 0.189 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H](CC)CN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000642439924 417054310 /nfs/dbraw/zinc/05/43/10/417054310.db2.gz RYZYSUPDLQHGLL-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CCC(C)CC1 ZINC000642644540 417066054 /nfs/dbraw/zinc/06/60/54/417066054.db2.gz ZKGPWEDBKJKYNS-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cncn1 ZINC000624649619 417077109 /nfs/dbraw/zinc/07/71/09/417077109.db2.gz QYIMJQXFHCSCDE-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cncn1 ZINC000624649619 417077114 /nfs/dbraw/zinc/07/71/14/417077114.db2.gz QYIMJQXFHCSCDE-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)C1CC[NH+](C)CC1 ZINC000642724486 417079611 /nfs/dbraw/zinc/07/96/11/417079611.db2.gz QSWIUYNIGPVUGW-UMVBOHGHSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCN1 ZINC000642718119 417081012 /nfs/dbraw/zinc/08/10/12/417081012.db2.gz IHYFTZHZPPHQAL-VNHYZAJKSA-N 1 3 322.453 0.184 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCN1 ZINC000642718119 417081021 /nfs/dbraw/zinc/08/10/21/417081021.db2.gz IHYFTZHZPPHQAL-VNHYZAJKSA-N 1 3 322.453 0.184 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC[C@@H]1[NH3+] ZINC000642733416 417084391 /nfs/dbraw/zinc/08/43/91/417084391.db2.gz MITDUEJEEPWODH-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000642731669 417085405 /nfs/dbraw/zinc/08/54/05/417085405.db2.gz DZLHEYCARHHMID-KRWDZBQOSA-N 1 3 322.453 0.047 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000642732132 417085677 /nfs/dbraw/zinc/08/56/77/417085677.db2.gz CDMDVWRPOKJRIO-CBBWQLFWSA-N 1 3 322.453 0.030 20 0 DCADHO CC(C)[C@@H](CNC(=O)CC1CC[NH2+]CC1)N1CCN(C)CC1 ZINC000386035102 417090565 /nfs/dbraw/zinc/09/05/65/417090565.db2.gz WLHFRRIPLCNZIJ-MRXNPFEDSA-N 1 3 310.486 0.764 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642773413 417094199 /nfs/dbraw/zinc/09/41/99/417094199.db2.gz XBKBWJUWMVWUHW-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC[NH3+])C1 ZINC000642892605 417110758 /nfs/dbraw/zinc/11/07/58/417110758.db2.gz WEOYJWGMWHERGI-OAHLLOKOSA-N 1 3 318.421 0.184 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642904020 417115806 /nfs/dbraw/zinc/11/58/06/417115806.db2.gz QBNSCPYTUKENTA-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000642907543 417117346 /nfs/dbraw/zinc/11/73/46/417117346.db2.gz AUAHTMGTFMCXOM-NSHDSACASA-N 1 3 312.439 0.102 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000524784639 417118650 /nfs/dbraw/zinc/11/86/50/417118650.db2.gz VQMYYMDKEMPGFT-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000524784639 417118655 /nfs/dbraw/zinc/11/86/55/417118655.db2.gz VQMYYMDKEMPGFT-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000642911700 417120824 /nfs/dbraw/zinc/12/08/24/417120824.db2.gz SLFAMSZWEBUJJT-XQLPTFJDSA-N 1 3 322.453 0.458 20 0 DCADHO C[C@@H](NC1CC1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000449129153 417125801 /nfs/dbraw/zinc/12/58/01/417125801.db2.gz ZHSAFPJZNLRZEL-GDBMZVCRSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H](NC1CC1)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000449129153 417125811 /nfs/dbraw/zinc/12/58/11/417125811.db2.gz ZHSAFPJZNLRZEL-GDBMZVCRSA-N 1 3 308.470 0.755 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000637847836 417205631 /nfs/dbraw/zinc/20/56/31/417205631.db2.gz KYMIBRBLJCFFAR-KBPBESRZSA-N 1 3 301.431 0.167 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCNCC1(C)C ZINC000637857586 417211085 /nfs/dbraw/zinc/21/10/85/417211085.db2.gz RGFAINGQYIZWLG-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCNCC1(C)C ZINC000637857586 417211095 /nfs/dbraw/zinc/21/10/95/417211095.db2.gz RGFAINGQYIZWLG-UHFFFAOYSA-N 1 3 301.431 0.182 20 0 DCADHO CCN1CCN(CCC(=O)N2CCN(c3ncc[nH]3)CC2)CC1 ZINC000569116247 417215599 /nfs/dbraw/zinc/21/55/99/417215599.db2.gz CFTXPNZQGLJUGP-UHFFFAOYSA-N 1 3 320.441 0.086 20 0 DCADHO CC[NH+]1CCN(CCC(=O)N2CCN(c3ncc[nH]3)CC2)CC1 ZINC000569116247 417215607 /nfs/dbraw/zinc/21/56/07/417215607.db2.gz CFTXPNZQGLJUGP-UHFFFAOYSA-N 1 3 320.441 0.086 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643482947 417222443 /nfs/dbraw/zinc/22/24/43/417222443.db2.gz FVWUSUHEOPBDHM-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CN1C1CC1 ZINC000433401627 417266920 /nfs/dbraw/zinc/26/69/20/417266920.db2.gz SXFJOEGPGKLORS-YRGRVCCFSA-N 1 3 318.425 0.558 20 0 DCADHO COC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000414187296 417268527 /nfs/dbraw/zinc/26/85/27/417268527.db2.gz IGXONQKDOGEZQP-MRXNPFEDSA-N 1 3 311.470 0.798 20 0 DCADHO CC(C)(C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21)N1CCNCC1 ZINC000632869362 417282403 /nfs/dbraw/zinc/28/24/03/417282403.db2.gz PQBVPMLIIJGAMZ-CQSZACIVSA-N 1 3 316.449 0.834 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000569693754 417283485 /nfs/dbraw/zinc/28/34/85/417283485.db2.gz ZIXVBZJWRBPKAR-PMPSAXMXSA-N 1 3 308.470 0.790 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000627229509 417289080 /nfs/dbraw/zinc/28/90/80/417289080.db2.gz RUIVZTCLXRNHBY-UONOGXRCSA-N 1 3 321.429 0.048 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000638043092 417292605 /nfs/dbraw/zinc/29/26/05/417292605.db2.gz OJSVYXYVKGXIQL-GJZGRUSLSA-N 1 3 311.474 0.391 20 0 DCADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCN2CCC[C@@H]2C1 ZINC000433380394 417260398 /nfs/dbraw/zinc/26/03/98/417260398.db2.gz BHWFMKQVAXLKNI-QWHCGFSZSA-N 1 3 304.398 0.123 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638147673 417353537 /nfs/dbraw/zinc/35/35/37/417353537.db2.gz XWJFJBRHRIKABV-VNQPRFMTSA-N 1 3 304.438 0.641 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000638064180 417306696 /nfs/dbraw/zinc/30/66/96/417306696.db2.gz SHKGYTCZQQWXFP-SJORKVTESA-N 1 3 317.433 0.926 20 0 DCADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NC1CCN(C3CC3)CC1)C2 ZINC000621839584 417317713 /nfs/dbraw/zinc/31/77/13/417317713.db2.gz VBBNRNHUMFKZHN-YVEFUNNKSA-N 1 3 320.437 0.069 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C1=CCN(C)CC1 ZINC000621843722 417319805 /nfs/dbraw/zinc/31/98/05/417319805.db2.gz KLYJZFCZNYYRAZ-RVSPLBMKSA-N 1 3 320.437 0.093 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638101650 417326871 /nfs/dbraw/zinc/32/68/71/417326871.db2.gz WAVFSTWOAYBHOX-GDBMZVCRSA-N 1 3 313.442 0.372 20 0 DCADHO COC[C@]1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCC[NH2+]1 ZINC000570549934 417364117 /nfs/dbraw/zinc/36/41/17/417364117.db2.gz IYTDFAWQAPDQSY-JGGQBBKZSA-N 1 3 310.442 0.537 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000415130541 417332021 /nfs/dbraw/zinc/33/20/21/417332021.db2.gz XGSFUHUEFDRMJQ-UHFFFAOYSA-N 1 3 318.421 0.899 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000633040325 417333343 /nfs/dbraw/zinc/33/33/43/417333343.db2.gz HYEQHXPZQFVUIT-JSGCOSHPSA-N 1 3 318.421 0.943 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638243640 417390902 /nfs/dbraw/zinc/39/09/02/417390902.db2.gz CDCSMNVZFAPRJJ-CQSZACIVSA-N 1 3 313.442 0.230 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638248028 417392342 /nfs/dbraw/zinc/39/23/42/417392342.db2.gz RPDPINDJAZOOBP-ULQDDVLXSA-N 1 3 316.449 0.656 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000638264506 417395194 /nfs/dbraw/zinc/39/51/94/417395194.db2.gz XQSFZAINQVQZFB-HUUCEWRRSA-N 1 3 319.453 0.906 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000570820183 417398101 /nfs/dbraw/zinc/39/81/01/417398101.db2.gz CZIIPRHYSOKHMA-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)ccc1CN(C)C ZINC000415315305 417364761 /nfs/dbraw/zinc/36/47/61/417364761.db2.gz LMJWXLYVICIFHZ-HNNXBMFYSA-N 1 3 318.421 0.863 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570570422 417368896 /nfs/dbraw/zinc/36/88/96/417368896.db2.gz PENHGDATZBFHSU-ZOBORPQBSA-N 1 3 312.458 0.465 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2N)cn1 ZINC000638365812 417435016 /nfs/dbraw/zinc/43/50/16/417435016.db2.gz IGYDCZOAEIWFAK-LSDHHAIUSA-N 1 3 317.437 0.549 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCCC(=O)N2CCOCC2)CC1 ZINC000638398068 417444570 /nfs/dbraw/zinc/44/45/70/417444570.db2.gz OKQRGDPWGGHEMH-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000638409180 417446624 /nfs/dbraw/zinc/44/66/24/417446624.db2.gz MWMLZLJFNWMFMC-CVEARBPZSA-N 1 3 318.421 0.526 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000638527152 417481397 /nfs/dbraw/zinc/48/13/97/417481397.db2.gz SCLFJIDFDFSLOP-JOCQHMNTSA-N 1 3 304.394 0.654 20 0 DCADHO O=C1CCC[C@@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC000634713470 417534426 /nfs/dbraw/zinc/53/44/26/417534426.db2.gz WHCSRFXJCSGACH-WMZOPIPTSA-N 1 3 317.433 0.882 20 0 DCADHO O=C1CCC[C@@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000634713470 417534432 /nfs/dbraw/zinc/53/44/32/417534432.db2.gz WHCSRFXJCSGACH-WMZOPIPTSA-N 1 3 317.433 0.882 20 0 DCADHO OCC1(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000634720603 417535937 /nfs/dbraw/zinc/53/59/37/417535937.db2.gz MKBIDLNYLXGQEO-KRWDZBQOSA-N 1 3 306.406 0.222 20 0 DCADHO OCC1(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000634720603 417535941 /nfs/dbraw/zinc/53/59/41/417535941.db2.gz MKBIDLNYLXGQEO-KRWDZBQOSA-N 1 3 306.406 0.222 20 0 DCADHO CC(CO)(CO)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720704 417536243 /nfs/dbraw/zinc/53/62/43/417536243.db2.gz OAANZFWKJFUDCQ-QGZVFWFLSA-N 1 3 308.422 0.204 20 0 DCADHO CC(CO)(CO)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720704 417536246 /nfs/dbraw/zinc/53/62/46/417536246.db2.gz OAANZFWKJFUDCQ-QGZVFWFLSA-N 1 3 308.422 0.204 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769764 417541764 /nfs/dbraw/zinc/54/17/64/417541764.db2.gz NUDGBAUNSBUXFO-NUJGCVRESA-N 1 3 316.449 0.704 20 0 DCADHO CC(=O)NCC(=O)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000530232819 417556708 /nfs/dbraw/zinc/55/67/08/417556708.db2.gz SSRGSLBLCJVICL-HNNXBMFYSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000638784502 417557043 /nfs/dbraw/zinc/55/70/43/417557043.db2.gz IKVOKUCQGWYDGM-BMFZPTHFSA-N 1 3 309.454 0.992 20 0 DCADHO COCCN(C)CC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634703008 417526368 /nfs/dbraw/zinc/52/63/68/417526368.db2.gz OGZPYXCRXSPKKX-SFHVURJKSA-N 1 3 321.465 0.791 20 0 DCADHO COCCN(C)CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634703008 417526372 /nfs/dbraw/zinc/52/63/72/417526372.db2.gz OGZPYXCRXSPKKX-SFHVURJKSA-N 1 3 321.465 0.791 20 0 DCADHO COCCN(C)CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703008 417526373 /nfs/dbraw/zinc/52/63/73/417526373.db2.gz OGZPYXCRXSPKKX-SFHVURJKSA-N 1 3 321.465 0.791 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000576149218 417584743 /nfs/dbraw/zinc/58/47/43/417584743.db2.gz ONMLYMBORHOKHL-YYIAUSFCSA-N 1 3 313.486 0.778 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000576149218 417584747 /nfs/dbraw/zinc/58/47/47/417584747.db2.gz ONMLYMBORHOKHL-YYIAUSFCSA-N 1 3 313.486 0.778 20 0 DCADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000576149218 417584750 /nfs/dbraw/zinc/58/47/50/417584750.db2.gz ONMLYMBORHOKHL-YYIAUSFCSA-N 1 3 313.486 0.778 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ncnn1C ZINC000530545338 417584802 /nfs/dbraw/zinc/58/48/02/417584802.db2.gz RAAIJZPSYKHSCE-LBPRGKRZSA-N 1 3 311.434 0.011 20 0 DCADHO CO[C@H]1CN[C@@](C)(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000638977419 417593940 /nfs/dbraw/zinc/59/39/40/417593940.db2.gz LKEDHDMMTNNWOO-GDBMZVCRSA-N 1 3 321.425 0.855 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638986132 417600439 /nfs/dbraw/zinc/60/04/39/417600439.db2.gz VYCBGSGQMAGTFI-PBHICJAKSA-N 1 3 315.421 0.819 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)CN3CC[NH2+]CC3)C2)cc1 ZINC000639000812 417602137 /nfs/dbraw/zinc/60/21/37/417602137.db2.gz CYCVRMFVAXXUSZ-QGZVFWFLSA-N 1 3 316.449 0.591 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000644533847 417613145 /nfs/dbraw/zinc/61/31/45/417613145.db2.gz KTLQTMXRAVVJDO-INIZCTEOSA-N 1 3 308.426 0.191 20 0 DCADHO [NH3+][C@@H](CCNC(=O)CNC[C@H]1CCCO1)Cc1ccccc1 ZINC000638873752 417573102 /nfs/dbraw/zinc/57/31/02/417573102.db2.gz KXJGPSUISWMTOQ-JKSUJKDBSA-N 1 3 305.422 0.831 20 0 DCADHO [NH3+][C@H](CCNC(=O)[C@H]1CN2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000638878867 417574445 /nfs/dbraw/zinc/57/44/45/417574445.db2.gz HFKDCQSAGYTRPU-BRWVUGGUSA-N 1 3 317.433 0.926 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000662618981 417821822 /nfs/dbraw/zinc/82/18/22/417821822.db2.gz HAOZTOBJWMIEDQ-QWHCGFSZSA-N 1 3 320.441 0.633 20 0 DCADHO CC[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CO1 ZINC000657490560 417865715 /nfs/dbraw/zinc/86/57/15/417865715.db2.gz NTPGLZWRRWQHQW-JKSUJKDBSA-N 1 3 311.470 0.940 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662746820 417883337 /nfs/dbraw/zinc/88/33/37/417883337.db2.gz SJEXGERKMIRPJV-KBPBESRZSA-N 1 3 320.441 0.664 20 0 DCADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662750890 417887522 /nfs/dbraw/zinc/88/75/22/417887522.db2.gz VTKYQQPINSLTLI-VIFPVBQESA-N 1 3 301.350 0.591 20 0 DCADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662750888 417889787 /nfs/dbraw/zinc/88/97/87/417889787.db2.gz VTKYQQPINSLTLI-SECBINFHSA-N 1 3 301.350 0.591 20 0 DCADHO O=C(c1cccc2c1CCNC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662777876 417900222 /nfs/dbraw/zinc/90/02/22/417900222.db2.gz FGRITYPPUISAOP-HNNXBMFYSA-N 1 3 314.433 0.452 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000662665153 417841349 /nfs/dbraw/zinc/84/13/49/417841349.db2.gz IJWPOBAJLGDSJM-OAGGEKHMSA-N 1 3 303.406 0.741 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[C@H](C)[NH3+] ZINC000646002856 417844753 /nfs/dbraw/zinc/84/47/53/417844753.db2.gz HPRUSPZXFUDEOS-JYJNAYRXSA-N 1 3 310.486 0.844 20 0 DCADHO CC(C)[NH2+]CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662859797 417926678 /nfs/dbraw/zinc/92/66/78/417926678.db2.gz ORDJNCTXEQFRAJ-MRXNPFEDSA-N 1 3 305.422 0.867 20 0 DCADHO O=C(C[C@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858210 417926703 /nfs/dbraw/zinc/92/67/03/417926703.db2.gz FHYMZADLQUMABX-IAGOWNOFSA-N 1 3 317.433 0.869 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000662857438 417927832 /nfs/dbraw/zinc/92/78/32/417927832.db2.gz AUCAGHZOUWGEGL-SJORKVTESA-N 1 3 317.433 0.869 20 0 DCADHO CC1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C[NH2+]C1 ZINC000662858282 417928509 /nfs/dbraw/zinc/92/85/09/417928509.db2.gz GCGUANZOFYDXJF-OAHLLOKOSA-N 1 3 303.406 0.479 20 0 DCADHO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860481 417931065 /nfs/dbraw/zinc/93/10/65/417931065.db2.gz SARRGTBTYJPWIV-HOTGVXAUSA-N 1 3 317.433 0.867 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000652612540 417932681 /nfs/dbraw/zinc/93/26/81/417932681.db2.gz VJWBZGOWBCXCCV-HNNXBMFYSA-N 1 3 306.414 0.662 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631771017 417936438 /nfs/dbraw/zinc/93/64/38/417936438.db2.gz QRHOTHWDHXYGQA-DOMZBBRYSA-N 1 3 305.426 0.657 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662878627 417937306 /nfs/dbraw/zinc/93/73/06/417937306.db2.gz XBUQBKSWINLOGT-KKUMJFAQSA-N 1 3 305.378 0.650 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652682712 417945030 /nfs/dbraw/zinc/94/50/30/417945030.db2.gz RSTLPIHVXZTXMW-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000652696578 417947508 /nfs/dbraw/zinc/94/75/08/417947508.db2.gz NBUVTWCNISUCFF-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652714592 417954294 /nfs/dbraw/zinc/95/42/94/417954294.db2.gz NMOXVNYHCXFYLF-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000662929446 417955421 /nfs/dbraw/zinc/95/54/21/417955421.db2.gz AQDPULSNYDAGEK-UUCFBXCCSA-N 1 3 320.437 0.023 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000652732707 417959200 /nfs/dbraw/zinc/95/92/00/417959200.db2.gz RCIRPTPSJKZGOR-MRXNPFEDSA-N 1 3 310.442 0.128 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735348 417960604 /nfs/dbraw/zinc/96/06/04/417960604.db2.gz HQQMOTSIYTVQII-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@H]2CSCCN2)CCO1 ZINC000662973534 417968483 /nfs/dbraw/zinc/96/84/83/417968483.db2.gz RDKHSROBLNLKSO-UONOGXRCSA-N 1 3 315.483 0.651 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)[C@H](C[NH3+])C1 ZINC000662981217 417970495 /nfs/dbraw/zinc/97/04/95/417970495.db2.gz NSXASTCXWJJJSJ-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO Cc1ccc(-c2nn(C)cc2CNCCN2CC[NH2+]CC2)o1 ZINC000647547412 418021736 /nfs/dbraw/zinc/02/17/36/418021736.db2.gz VOOWSRNRJKSAGB-UHFFFAOYSA-N 1 3 303.410 0.983 20 0 DCADHO CCn1ccnc1CNC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663503210 418027360 /nfs/dbraw/zinc/02/73/60/418027360.db2.gz HGUNZXNNWAFUIA-UHFFFAOYSA-N 1 3 307.442 0.983 20 0 DCADHO C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CCc2ccccc2C1 ZINC000653110110 418027945 /nfs/dbraw/zinc/02/79/45/418027945.db2.gz YBUCUYFXDBEFIP-QGZVFWFLSA-N 1 3 318.465 0.830 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000647593431 418030638 /nfs/dbraw/zinc/03/06/38/418030638.db2.gz OZMFJUKVUHIVBY-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CCO[C@@H]1CN(C(=O)C2(N)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000653243798 418046228 /nfs/dbraw/zinc/04/62/28/418046228.db2.gz NPIBUNAVLKPJOV-HUUCEWRRSA-N 1 3 303.406 0.305 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1(C)C ZINC000653247607 418047315 /nfs/dbraw/zinc/04/73/15/418047315.db2.gz JXWMUNXZJABJBK-BRXULGCHSA-N 1 3 313.442 0.341 20 0 DCADHO O=C(CN1CCCCC[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000653782012 418109297 /nfs/dbraw/zinc/10/92/97/418109297.db2.gz NMRKVCDQXMBCHC-MRXNPFEDSA-N 1 3 309.454 0.966 20 0 DCADHO CC[NH2+]CCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659514402 418109439 /nfs/dbraw/zinc/10/94/39/418109439.db2.gz JKGMDUMEXPBABC-INIZCTEOSA-N 1 3 320.437 0.662 20 0 DCADHO COCCNCCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659526419 418111979 /nfs/dbraw/zinc/11/19/79/418111979.db2.gz CJWXIWHQGZRPPB-UHFFFAOYSA-N 1 3 312.458 0.644 20 0 DCADHO CC1(OCC(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CNC1 ZINC000648178036 418115016 /nfs/dbraw/zinc/11/50/16/418115016.db2.gz LJHWVNQANJKORS-KGLIPLIRSA-N 1 3 311.426 0.110 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000653275020 418050806 /nfs/dbraw/zinc/05/08/06/418050806.db2.gz UULQGZOTVSPCFH-UHFFFAOYSA-N 1 3 319.453 0.906 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663775831 418055650 /nfs/dbraw/zinc/05/56/50/418055650.db2.gz LHXDYDLLSKMDOK-ZFWWWQNUSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000663775831 418055652 /nfs/dbraw/zinc/05/56/52/418055652.db2.gz LHXDYDLLSKMDOK-ZFWWWQNUSA-N 1 3 310.442 0.321 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000659102606 418060742 /nfs/dbraw/zinc/06/07/42/418060742.db2.gz GOBNHNYZJQZAHQ-AWEZNQCLSA-N 1 3 304.394 0.684 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[N@@H+]1C ZINC000653397503 418069171 /nfs/dbraw/zinc/06/91/71/418069171.db2.gz VNZUXFOOXSMFHV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[N@H+]1C ZINC000653397503 418069172 /nfs/dbraw/zinc/06/91/72/418069172.db2.gz VNZUXFOOXSMFHV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCN(C(=O)CCN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647904247 418073190 /nfs/dbraw/zinc/07/31/90/418073190.db2.gz ZPMBNYMBMHAVMY-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO O=C1CNCCN1[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647910002 418074610 /nfs/dbraw/zinc/07/46/10/418074610.db2.gz RFFGRFDENUBWCR-INIZCTEOSA-N 1 3 308.470 0.662 20 0 DCADHO [NH3+]C1CCC(OCC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000648106684 418099688 /nfs/dbraw/zinc/09/96/88/418099688.db2.gz MIHZBWORZCQRLC-UHFFFAOYSA-N 1 3 304.394 0.952 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000664224941 418100401 /nfs/dbraw/zinc/10/04/01/418100401.db2.gz UXGYTDWCLBVDSZ-SOUVJXGZSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000664224941 418100403 /nfs/dbraw/zinc/10/04/03/418100403.db2.gz UXGYTDWCLBVDSZ-SOUVJXGZSA-N 1 3 314.474 0.983 20 0 DCADHO [NH3+]CC1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000659609128 418125461 /nfs/dbraw/zinc/12/54/61/418125461.db2.gz STUIMEADWDOYRE-OAHLLOKOSA-N 1 3 310.442 0.620 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659609071 418125465 /nfs/dbraw/zinc/12/54/65/418125465.db2.gz RUNSSKKNKKJYPV-NVXWUHKLSA-N 1 3 322.453 0.635 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659607995 418125736 /nfs/dbraw/zinc/12/57/36/418125736.db2.gz IVFVVQUBLKYNIL-LSDHHAIUSA-N 1 3 312.458 0.912 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000659622932 418130143 /nfs/dbraw/zinc/13/01/43/418130143.db2.gz VYFYKPGWTLPSBL-OAHLLOKOSA-N 1 3 313.490 0.639 20 0 DCADHO CC1(C)CC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000654346623 418135756 /nfs/dbraw/zinc/13/57/56/418135756.db2.gz UWJATTUAHHAANF-UONOGXRCSA-N 1 3 324.469 0.756 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380869 418137392 /nfs/dbraw/zinc/13/73/92/418137392.db2.gz IINAZOHSLKYTCG-APIJFGDWSA-N 1 3 308.426 0.074 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654380869 418137395 /nfs/dbraw/zinc/13/73/95/418137395.db2.gz IINAZOHSLKYTCG-APIJFGDWSA-N 1 3 308.426 0.074 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000654731773 418180784 /nfs/dbraw/zinc/18/07/84/418180784.db2.gz MHZDJWXKFIQWGB-FMKPAKJESA-N 1 3 310.442 0.369 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000654731773 418180787 /nfs/dbraw/zinc/18/07/87/418180787.db2.gz MHZDJWXKFIQWGB-FMKPAKJESA-N 1 3 310.442 0.369 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000659680439 418144294 /nfs/dbraw/zinc/14/42/94/418144294.db2.gz GAXPVUMFYPUZKS-CRWXNKLISA-N 1 3 312.458 0.193 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC(C)(C)O ZINC000664708579 418146711 /nfs/dbraw/zinc/14/67/11/418146711.db2.gz LONAWLJMUMXZAM-ZDUSSCGKSA-N 1 3 302.463 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC(C)(C)O ZINC000664708579 418146714 /nfs/dbraw/zinc/14/67/14/418146714.db2.gz LONAWLJMUMXZAM-ZDUSSCGKSA-N 1 3 302.463 0.719 20 0 DCADHO C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000654452247 418147435 /nfs/dbraw/zinc/14/74/35/418147435.db2.gz OQBIJWFNJKKMHU-VHDGCEQUSA-N 1 3 310.442 0.177 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](CN)C1 ZINC000659704706 418153575 /nfs/dbraw/zinc/15/35/75/418153575.db2.gz RPLLORMBKOJKLA-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@H](CN)C1 ZINC000659704706 418153578 /nfs/dbraw/zinc/15/35/78/418153578.db2.gz RPLLORMBKOJKLA-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659709724 418156335 /nfs/dbraw/zinc/15/63/35/418156335.db2.gz KYXSEDNPFYTZJT-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CC[N@@H+]1C ZINC000648845646 418165488 /nfs/dbraw/zinc/16/54/88/418165488.db2.gz LFPKJLOWPAPJAQ-YLFCFFPRSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CC[N@H+]1C ZINC000648845646 418165490 /nfs/dbraw/zinc/16/54/90/418165490.db2.gz LFPKJLOWPAPJAQ-YLFCFFPRSA-N 1 3 322.497 0.811 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000659728573 418166003 /nfs/dbraw/zinc/16/60/03/418166003.db2.gz WJIDHRJOWOFUFP-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(=O)[nH]n1 ZINC000664978707 418166098 /nfs/dbraw/zinc/16/60/98/418166098.db2.gz KIDLRTVSZPXZSY-LBPRGKRZSA-N 1 3 324.429 0.253 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(=O)[nH]n1 ZINC000664978707 418166101 /nfs/dbraw/zinc/16/61/01/418166101.db2.gz KIDLRTVSZPXZSY-LBPRGKRZSA-N 1 3 324.429 0.253 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H]1CCN(CCC)C1)[C@@H]1CC[NH2+]C1 ZINC000659739635 418172002 /nfs/dbraw/zinc/17/20/02/418172002.db2.gz XYGLXQIUSALPFF-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)C1 ZINC000659739321 418172515 /nfs/dbraw/zinc/17/25/15/418172515.db2.gz QUFMJEFAHWJXQX-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000649352867 418246556 /nfs/dbraw/zinc/24/65/56/418246556.db2.gz RJJLPTBHALUWOV-BZUAXINKSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000649271439 418217161 /nfs/dbraw/zinc/21/71/61/418217161.db2.gz HRBMPEWIOACLFI-UHFFFAOYSA-N 1 3 304.438 0.725 20 0 DCADHO CN(C(=O)COCC[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000649311697 418233474 /nfs/dbraw/zinc/23/34/74/418233474.db2.gz GQUREVVRSXQFQH-UHFFFAOYSA-N 1 3 320.437 0.522 20 0 DCADHO C[C@@H](NC(=O)CN1CCCC[C@@H](N)C1=O)C1CC[NH+](C)CC1 ZINC000649314557 418233535 /nfs/dbraw/zinc/23/35/35/418233535.db2.gz BLZMGPMOMOYCLY-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000660701316 418282515 /nfs/dbraw/zinc/28/25/15/418282515.db2.gz QRTNQAKKVDDHRH-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000660701316 418282516 /nfs/dbraw/zinc/28/25/16/418282516.db2.gz QRTNQAKKVDDHRH-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCN1CCCO)C(F)(F)F ZINC000655928384 418304333 /nfs/dbraw/zinc/30/43/33/418304333.db2.gz RQDDBWSQPBZYPO-ZJUUUORDSA-N 1 3 312.336 0.022 20 0 DCADHO COCCN1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC000660917506 418304538 /nfs/dbraw/zinc/30/45/38/418304538.db2.gz UCGCYBWKZAJDQK-HNNXBMFYSA-N 1 3 301.475 0.730 20 0 DCADHO COCCN1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC000660917506 418304539 /nfs/dbraw/zinc/30/45/39/418304539.db2.gz UCGCYBWKZAJDQK-HNNXBMFYSA-N 1 3 301.475 0.730 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656020949 418318651 /nfs/dbraw/zinc/31/86/51/418318651.db2.gz YQMYPAZXZNZWQG-QLFBSQMISA-N 1 3 322.453 0.235 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656022413 418318786 /nfs/dbraw/zinc/31/87/86/418318786.db2.gz ZCBGWFVCYQKGHR-QPSCCSFWSA-N 1 3 322.453 0.506 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656022955 418319275 /nfs/dbraw/zinc/31/92/75/418319275.db2.gz PMIBXRPIKDONHS-RBSFLKMASA-N 1 3 324.469 0.609 20 0 DCADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000656024585 418319302 /nfs/dbraw/zinc/31/93/02/418319302.db2.gz NBMWSERIQQOBNH-ILXRZTDVSA-N 1 3 322.453 0.378 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656023932 418319552 /nfs/dbraw/zinc/31/95/52/418319552.db2.gz ITHYEBVONKATIO-UONOGXRCSA-N 1 3 322.453 0.365 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656025894 418320186 /nfs/dbraw/zinc/32/01/86/418320186.db2.gz VZHKLBVOEHGKGR-KFWWJZLASA-N 1 3 324.469 0.753 20 0 DCADHO CC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028994 418320958 /nfs/dbraw/zinc/32/09/58/418320958.db2.gz TUUTUEZQXBGVCG-ZIAGYGMSSA-N 1 3 322.453 0.459 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449386 418263541 /nfs/dbraw/zinc/26/35/41/418263541.db2.gz DHQJLGDFJFTADV-DOTOQJQBSA-N 1 3 308.470 0.520 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516349 418271370 /nfs/dbraw/zinc/27/13/70/418271370.db2.gz SWRJIBXLYYFKEI-UOKLYIGXSA-N 1 3 309.332 0.525 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000655576416 418277349 /nfs/dbraw/zinc/27/73/49/418277349.db2.gz NRHXPUGETIWVCR-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000655576416 418277352 /nfs/dbraw/zinc/27/73/52/418277352.db2.gz NRHXPUGETIWVCR-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660663679 418279483 /nfs/dbraw/zinc/27/94/83/418279483.db2.gz OYOFQZRZHOLVDJ-JYJNAYRXSA-N 1 3 300.443 0.817 20 0 DCADHO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660663679 418279485 /nfs/dbraw/zinc/27/94/85/418279485.db2.gz OYOFQZRZHOLVDJ-JYJNAYRXSA-N 1 3 300.443 0.817 20 0 DCADHO O=C1[C@H]2CN(C[C@H]3CC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662297954 418399074 /nfs/dbraw/zinc/39/90/74/418399074.db2.gz KDRQSNONQAIVGQ-HRCADAONSA-N 1 3 313.401 0.713 20 0 DCADHO Cn1c(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(=O)n(C)c1=O ZINC000662298282 418399153 /nfs/dbraw/zinc/39/91/53/418399153.db2.gz VCQLEEGRUYETPA-CQSZACIVSA-N 1 3 320.437 0.296 20 0 DCADHO CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000662407457 418407756 /nfs/dbraw/zinc/40/77/56/418407756.db2.gz CHCAFNCOMBUUKD-AWEZNQCLSA-N 1 3 303.410 0.818 20 0 DCADHO CC(C)c1ccc([C@H](N)CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000662411048 418408424 /nfs/dbraw/zinc/40/84/24/418408424.db2.gz RBLFRMZWGMIWTB-CQSZACIVSA-N 1 3 316.409 0.790 20 0 DCADHO COCCCN(C)CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662476919 418411690 /nfs/dbraw/zinc/41/16/90/418411690.db2.gz WDKJIJPPIJLQPX-UHFFFAOYSA-N 1 3 324.425 0.840 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662497101 418412803 /nfs/dbraw/zinc/41/28/03/418412803.db2.gz DDNKKFZHTUADQD-SUNKGSAMSA-N 1 3 303.410 0.699 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000187360121 261124062 /nfs/dbraw/zinc/12/40/62/261124062.db2.gz QXNHPOLLOZMBMO-OAHLLOKOSA-N 1 3 314.474 0.578 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000187360121 261124064 /nfs/dbraw/zinc/12/40/64/261124064.db2.gz QXNHPOLLOZMBMO-OAHLLOKOSA-N 1 3 314.474 0.578 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340217684 261182798 /nfs/dbraw/zinc/18/27/98/261182798.db2.gz LTNUGZYKLHWUNG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340509793 261183783 /nfs/dbraw/zinc/18/37/83/261183783.db2.gz LXEGSONNXPPZJR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340509793 261183784 /nfs/dbraw/zinc/18/37/84/261183784.db2.gz LXEGSONNXPPZJR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354691241 261259768 /nfs/dbraw/zinc/25/97/68/261259768.db2.gz MDZZZHFUGDWYNL-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354721162 261263452 /nfs/dbraw/zinc/26/34/52/261263452.db2.gz YPCSZJKPVAULCA-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)N(C)C1CC1 ZINC000355864619 261371861 /nfs/dbraw/zinc/37/18/61/261371861.db2.gz NABBTPHDBUMYOO-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000416975350 262242668 /nfs/dbraw/zinc/24/26/68/262242668.db2.gz NWBCQPZGHWFDSM-AWEZNQCLSA-N 1 3 306.410 0.788 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417098669 262246281 /nfs/dbraw/zinc/24/62/81/262246281.db2.gz YVIAUTYYFMJHMA-KBPBESRZSA-N 1 3 300.447 0.581 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417439230 262252162 /nfs/dbraw/zinc/25/21/62/262252162.db2.gz LEJSCWYIWIAAEQ-GJZGRUSLSA-N 1 3 312.458 0.596 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NC(C)(C)C[NH3+])CC1 ZINC000417549558 262255381 /nfs/dbraw/zinc/25/53/81/262255381.db2.gz TXKGXYSWACEKLK-UHFFFAOYSA-N 1 3 300.447 0.912 20 0 DCADHO CCCCN(C)CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417607328 262256330 /nfs/dbraw/zinc/25/63/30/262256330.db2.gz GGJWJFFSBGRZDR-HNNXBMFYSA-N 1 3 300.447 0.786 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000417761842 262261096 /nfs/dbraw/zinc/26/10/96/262261096.db2.gz ZMDBHHJKZAHONH-HUUCEWRRSA-N 1 3 313.490 0.415 20 0 DCADHO CC[NH2+]CCNC(=O)NCc1ccncc1OCCN(C)C ZINC000418186857 262272238 /nfs/dbraw/zinc/27/22/38/262272238.db2.gz CTXIYAIJLYQQPT-UHFFFAOYSA-N 1 3 309.414 0.431 20 0 DCADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CNCCO1 ZINC000418235878 262273248 /nfs/dbraw/zinc/27/32/48/262273248.db2.gz LPHQCYHWJYUVHU-GJZGRUSLSA-N 1 3 312.458 0.785 20 0 DCADHO COCC1(CNC(=O)NCCNc2ccncc2)CC[NH2+]CC1 ZINC000418639521 262284353 /nfs/dbraw/zinc/28/43/53/262284353.db2.gz MUBDMBAOZAPATO-UHFFFAOYSA-N 1 3 321.425 0.231 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418645516 262285050 /nfs/dbraw/zinc/28/50/50/262285050.db2.gz RLKXOIKIJAIADQ-CYBMUJFWSA-N 1 3 300.447 0.378 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000418654912 262285442 /nfs/dbraw/zinc/28/54/42/262285442.db2.gz QAHZUKYBRSVRBO-ILXRZTDVSA-N 1 3 306.410 0.223 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1C ZINC000418970078 262301072 /nfs/dbraw/zinc/30/10/72/262301072.db2.gz VXUIOCLDEHMHDE-QWHCGFSZSA-N 1 3 310.442 0.363 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000419005005 262303473 /nfs/dbraw/zinc/30/34/73/262303473.db2.gz VJZLUQJWOSLBIR-HNNXBMFYSA-N 1 3 318.421 0.185 20 0 DCADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NCCN ZINC000419014733 262304893 /nfs/dbraw/zinc/30/48/93/262304893.db2.gz JKGVRIFWZOYAEY-UHFFFAOYSA-N 1 3 306.410 0.220 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419018033 262305490 /nfs/dbraw/zinc/30/54/90/262305490.db2.gz BIZKTWZYKCZEFC-HZSPNIEDSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419072240 262306265 /nfs/dbraw/zinc/30/62/65/262306265.db2.gz BDDMTJMBWNDULK-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419073297 262306721 /nfs/dbraw/zinc/30/67/21/262306721.db2.gz CIFGCCUWXNNQAO-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419075493 262306724 /nfs/dbraw/zinc/30/67/24/262306724.db2.gz GEVJTFBFRQCFPK-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCNCC1 ZINC000419095241 262309047 /nfs/dbraw/zinc/30/90/47/262309047.db2.gz ANZSKWKFLPBBOR-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCCC2)C1 ZINC000419117969 262309666 /nfs/dbraw/zinc/30/96/66/262309666.db2.gz ICPIEFYWNOLGTI-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCCCC[NH3+] ZINC000419104525 262309812 /nfs/dbraw/zinc/30/98/12/262309812.db2.gz HNORTDZFZNPVJC-CQSZACIVSA-N 1 3 320.437 0.478 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)[C@H]1C[NH3+] ZINC000419120764 262310268 /nfs/dbraw/zinc/31/02/68/262310268.db2.gz ULMSGZWWXVGTSG-WFASDCNBSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419124959 262310987 /nfs/dbraw/zinc/31/09/87/262310987.db2.gz RYNDIDAANGMDRG-ILXRZTDVSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419126668 262311147 /nfs/dbraw/zinc/31/11/47/262311147.db2.gz XYHAWLATUAQPGQ-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)CN)[NH+]1CCCCCC1 ZINC000419129454 262311463 /nfs/dbraw/zinc/31/14/63/262311463.db2.gz YEKLDVQBHJVDCG-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419159809 262314602 /nfs/dbraw/zinc/31/46/02/262314602.db2.gz OPFFSONDUVKFLP-ZIAGYGMSSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419167941 262315650 /nfs/dbraw/zinc/31/56/50/262315650.db2.gz JXGHHAVRAWULLE-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419164999 262315825 /nfs/dbraw/zinc/31/58/25/262315825.db2.gz ZXMSHZMKMXWPBL-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419232950 262321713 /nfs/dbraw/zinc/32/17/13/262321713.db2.gz GLXRQDVXQWWVDE-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419336680 262326034 /nfs/dbraw/zinc/32/60/34/262326034.db2.gz PXSPCNHDCRITNA-DFBGVHRSSA-N 1 3 322.453 0.219 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000419409638 262331079 /nfs/dbraw/zinc/33/10/79/262331079.db2.gz NHTDJETXIFUQAU-RDBSUJKOSA-N 1 3 310.442 0.030 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419411265 262331357 /nfs/dbraw/zinc/33/13/57/262331357.db2.gz BJUXKZNIPMGHJL-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C1 ZINC000419412697 262331841 /nfs/dbraw/zinc/33/18/41/262331841.db2.gz RHQMRLQGGRZRRO-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419417150 262331894 /nfs/dbraw/zinc/33/18/94/262331894.db2.gz WVHIVYMCCUNVFV-CQSZACIVSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419419968 262332473 /nfs/dbraw/zinc/33/24/73/262332473.db2.gz JMERZRGVAQURHJ-UMVBOHGHSA-N 1 3 324.469 0.324 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000419427652 262332963 /nfs/dbraw/zinc/33/29/63/262332963.db2.gz SDNJXLKZVGYNKK-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000419518997 262336704 /nfs/dbraw/zinc/33/67/04/262336704.db2.gz FBEUGKPEBRKXGM-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419592024 262339187 /nfs/dbraw/zinc/33/91/87/262339187.db2.gz RLLNCMNPXKWZDM-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419592595 262339803 /nfs/dbraw/zinc/33/98/03/262339803.db2.gz SJKMPLHTNCZQIV-BFHYXJOUSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCC[C@H](C)C1 ZINC000419913109 262352242 /nfs/dbraw/zinc/35/22/42/262352242.db2.gz MNFNHVWSZRMSPY-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420056111 262357849 /nfs/dbraw/zinc/35/78/49/262357849.db2.gz IGZKPCMUILNQMY-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420074600 262359733 /nfs/dbraw/zinc/35/97/33/262359733.db2.gz QWDVNSZQHIREAO-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420107710 262361042 /nfs/dbraw/zinc/36/10/42/262361042.db2.gz TUMIYQRMFZWZGI-CJNGLKHVSA-N 1 3 310.442 0.093 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420108676 262361276 /nfs/dbraw/zinc/36/12/76/262361276.db2.gz YMIKYYACKHMGLO-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000420158394 262364665 /nfs/dbraw/zinc/36/46/65/262364665.db2.gz HGNUWYQKFBJPKQ-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)Cn1ccnc1 ZINC000433156726 262652104 /nfs/dbraw/zinc/65/21/04/262652104.db2.gz CKSITWADMSMOPK-CQSZACIVSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCOCCN(C)C ZINC000355355396 271005240 /nfs/dbraw/zinc/00/52/40/271005240.db2.gz SQIJYYIQDGZUKW-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)C1CCCC1 ZINC000418624473 271248785 /nfs/dbraw/zinc/24/87/85/271248785.db2.gz PANMDRJQJNIWBU-GJZGRUSLSA-N 1 3 312.458 0.650 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418712035 271250113 /nfs/dbraw/zinc/25/01/13/271250113.db2.gz NPMIXCCCHBUUKZ-WBVHZDCISA-N 1 3 320.437 0.660 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@H]1[NH3+] ZINC000418843135 271258229 /nfs/dbraw/zinc/25/82/29/271258229.db2.gz RKCXNZCMYDXNIL-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419030223 271267968 /nfs/dbraw/zinc/26/79/68/271267968.db2.gz SSFNQDFVBOZVHF-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419043987 271268876 /nfs/dbraw/zinc/26/88/76/271268876.db2.gz KTMGWEDCQMPMBB-TZMCWYRMSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@H]1CN ZINC000419143976 271275519 /nfs/dbraw/zinc/27/55/19/271275519.db2.gz DWLBXYWMJORMDY-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000419401352 271288909 /nfs/dbraw/zinc/28/89/09/271288909.db2.gz AXKUOYXXSWZHFO-AWEZNQCLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419432233 271290184 /nfs/dbraw/zinc/29/01/84/271290184.db2.gz YATRRVPXKIGCEA-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000419580965 271311757 /nfs/dbraw/zinc/31/17/57/271311757.db2.gz IAGJCDFABCBUIR-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419811088 271326306 /nfs/dbraw/zinc/32/63/06/271326306.db2.gz CGSRCZSUMCUQOI-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419811088 271326308 /nfs/dbraw/zinc/32/63/08/271326308.db2.gz CGSRCZSUMCUQOI-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419859062 271333648 /nfs/dbraw/zinc/33/36/48/271333648.db2.gz YBGVEOPIKDUNEZ-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419861213 271334969 /nfs/dbraw/zinc/33/49/69/271334969.db2.gz LPEBSIPCYJUKQJ-AWEZNQCLSA-N 1 3 322.409 0.023 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419933755 271345402 /nfs/dbraw/zinc/34/54/02/271345402.db2.gz FXFREICFLZWQCB-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420008610 271350652 /nfs/dbraw/zinc/35/06/52/271350652.db2.gz DHUAEYKKXNMWDP-CYBMUJFWSA-N 1 3 300.447 0.132 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420168520 271362377 /nfs/dbraw/zinc/36/23/77/271362377.db2.gz QGGXDOJDECCHED-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000459908678 272018888 /nfs/dbraw/zinc/01/88/88/272018888.db2.gz AKDNITZPMDZNSR-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000471659741 272028565 /nfs/dbraw/zinc/02/85/65/272028565.db2.gz RWPVZRSHQBGMOG-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO CN(C)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000515299127 287651369 /nfs/dbraw/zinc/65/13/69/287651369.db2.gz MZUFYXIBIZJHLD-OAHLLOKOSA-N 1 3 316.409 0.660 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C[C@H]1C ZINC000343282941 276393712 /nfs/dbraw/zinc/39/37/12/276393712.db2.gz BEEUQSWRNDFNCX-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C[C@H]1C ZINC000343282941 276393714 /nfs/dbraw/zinc/39/37/14/276393714.db2.gz BEEUQSWRNDFNCX-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CN1C(=O)CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1=O ZINC000328634476 277006988 /nfs/dbraw/zinc/00/69/88/277006988.db2.gz BNNPGKLHAGHLIE-CQSZACIVSA-N 1 3 302.378 0.787 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000418835657 277299801 /nfs/dbraw/zinc/29/98/01/277299801.db2.gz ODICWHWVFKGSJF-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333763739 288134312 /nfs/dbraw/zinc/13/43/12/288134312.db2.gz AVRMATUXQHTJGX-KGLIPLIRSA-N 1 3 310.442 0.633 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552028121 288261213 /nfs/dbraw/zinc/26/12/13/288261213.db2.gz JIIVDHWNCSSANF-NVXWUHKLSA-N 1 3 309.454 0.824 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552028121 288261216 /nfs/dbraw/zinc/26/12/16/288261216.db2.gz JIIVDHWNCSSANF-NVXWUHKLSA-N 1 3 309.454 0.824 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000554453064 288321260 /nfs/dbraw/zinc/32/12/60/288321260.db2.gz RPSDDTDWKOJOBH-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC(=O)NCCN2CCCCCC2)C1 ZINC000554453064 288321263 /nfs/dbraw/zinc/32/12/63/288321263.db2.gz RPSDDTDWKOJOBH-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H](C[NH3+])C2)CCSC1 ZINC000557193646 288413282 /nfs/dbraw/zinc/41/32/82/288413282.db2.gz MHHYZHVQZBAJLB-TZMCWYRMSA-N 1 3 300.472 0.804 20 0 DCADHO COc1ccncc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000562671820 288590047 /nfs/dbraw/zinc/59/00/47/288590047.db2.gz QVJMFNPYGVYWQN-UHFFFAOYSA-N 1 3 323.441 0.725 20 0 DCADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563116496 288633319 /nfs/dbraw/zinc/63/33/19/288633319.db2.gz JFCAGYHTEVDSQG-YCPHGPKFSA-N 1 3 320.441 0.808 20 0 DCADHO C[C@H](Oc1cccnc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000565328020 288844806 /nfs/dbraw/zinc/84/48/06/288844806.db2.gz VHBJEJKMJWFMBJ-AWEZNQCLSA-N 1 3 308.426 0.801 20 0 DCADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000339634859 289297601 /nfs/dbraw/zinc/29/76/01/289297601.db2.gz IOOUKWGZNFJQCX-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc21 ZINC001650346494 1173584020 /nfs/dbraw/zinc/58/40/20/1173584020.db2.gz JCLVXOQBUXZEPM-XCBNKYQSSA-N 1 3 305.304 0.686 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@@H]2CSCCN2)CC1 ZINC000580187870 332993220 /nfs/dbraw/zinc/99/32/20/332993220.db2.gz GLASGNAOCVIWJJ-KGLIPLIRSA-N 1 3 315.483 0.291 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000582181950 335735423 /nfs/dbraw/zinc/73/54/23/335735423.db2.gz FCOPTILFNZNUGH-ZBFHGGJFSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)C(=O)NCCN1CCCCC1 ZINC000582299904 336899624 /nfs/dbraw/zinc/89/96/24/336899624.db2.gz OVLISINZPIULFI-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000583699331 337083692 /nfs/dbraw/zinc/08/36/92/337083692.db2.gz OALMKQMBVGTRIS-OAHLLOKOSA-N 1 3 324.469 0.515 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000582536722 337106491 /nfs/dbraw/zinc/10/64/91/337106491.db2.gz GCBRCRDQIWDJCT-AWEZNQCLSA-N 1 3 306.410 0.213 20 0 DCADHO CCN(CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000582842601 337208196 /nfs/dbraw/zinc/20/81/96/337208196.db2.gz FYRIOXIAARWDLY-GFCCVEGCSA-N 1 3 306.414 0.244 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567741878 1160469488 /nfs/dbraw/zinc/46/94/88/1160469488.db2.gz JCKHCOZYYWFTSH-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN(C)CCOC ZINC000111493461 521594018 /nfs/dbraw/zinc/59/40/18/521594018.db2.gz YSGYQTCXQUNLGQ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN(C)CCOC ZINC000111493461 521594022 /nfs/dbraw/zinc/59/40/22/521594022.db2.gz YSGYQTCXQUNLGQ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)C1 ZINC000332611803 534181964 /nfs/dbraw/zinc/18/19/64/534181964.db2.gz LWHYJYPJDSEUIG-LXTVHRRPSA-N 1 3 322.453 0.267 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000237265066 522029705 /nfs/dbraw/zinc/02/97/05/522029705.db2.gz RBIXGHZGSKEIGX-LLVKDONJSA-N 1 3 320.393 0.950 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cccn1 ZINC000299731481 529098847 /nfs/dbraw/zinc/09/88/47/529098847.db2.gz YOTRAPJOYXPYBR-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cccn1 ZINC000299731481 529098852 /nfs/dbraw/zinc/09/88/52/529098852.db2.gz YOTRAPJOYXPYBR-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CNC(=O)[C@H](C)C[N@@H+](C)CC[C@H](C)N(C)C[C@H](C)C(=O)NC ZINC000245681080 545962000 /nfs/dbraw/zinc/96/20/00/545962000.db2.gz KJPFTJYDLNXFJE-RDBSUJKOSA-N 1 3 314.474 0.393 20 0 DCADHO CNC(=O)[C@H](C)C[N@H+](C)CC[C@H](C)N(C)C[C@H](C)C(=O)NC ZINC000245681080 545962005 /nfs/dbraw/zinc/96/20/05/545962005.db2.gz KJPFTJYDLNXFJE-RDBSUJKOSA-N 1 3 314.474 0.393 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(CO)CC3)CC2)CC1 ZINC000304634654 546016490 /nfs/dbraw/zinc/01/64/90/546016490.db2.gz OUYZBAVYOHYVTJ-UHFFFAOYSA-N 1 3 324.469 0.617 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000333830939 546092881 /nfs/dbraw/zinc/09/28/81/546092881.db2.gz MNJVOWAEVYIDOY-RBSFLKMASA-N 1 3 311.474 0.452 20 0 DCADHO CC1(C)NC(=O)N(CCCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000342086424 546118372 /nfs/dbraw/zinc/11/83/72/546118372.db2.gz OIOBEKVHGLDBIH-AVGNSLFASA-N 1 3 308.426 0.766 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)N(C)C1CC1 ZINC000342093272 546118987 /nfs/dbraw/zinc/11/89/87/546118987.db2.gz XTRLTPMKFFORDO-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1)N(C)C1CC1 ZINC000342093272 546118992 /nfs/dbraw/zinc/11/89/92/546118992.db2.gz XTRLTPMKFFORDO-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1C ZINC000352886966 546171664 /nfs/dbraw/zinc/17/16/64/546171664.db2.gz XYXUCKOFLWXZKC-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1C ZINC000352886966 546171669 /nfs/dbraw/zinc/17/16/69/546171669.db2.gz XYXUCKOFLWXZKC-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H]([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000429537290 546249728 /nfs/dbraw/zinc/24/97/28/546249728.db2.gz QQILMASKSZWJDW-QBPKDAKJSA-N 1 3 313.486 0.873 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CN2CCNCC2)C1 ZINC000638067736 546335150 /nfs/dbraw/zinc/33/51/50/546335150.db2.gz UJENCDNZUBPOHS-HZPDHXFCSA-N 1 3 310.486 0.766 20 0 DCADHO O=C1CCCCN1C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662278804 546375175 /nfs/dbraw/zinc/37/51/75/546375175.db2.gz MDBMWXMILBRTBL-HNNXBMFYSA-N 1 3 307.438 0.984 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2cnnc2C1 ZINC000665757209 546393661 /nfs/dbraw/zinc/39/36/61/546393661.db2.gz BRBFILBITBYSEU-ZDUSSCGKSA-N 1 3 323.445 0.075 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2cnnc2C1 ZINC000665757209 546393663 /nfs/dbraw/zinc/39/36/63/546393663.db2.gz BRBFILBITBYSEU-ZDUSSCGKSA-N 1 3 323.445 0.075 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@](C)(O)C1 ZINC000665761178 546394952 /nfs/dbraw/zinc/39/49/52/546394952.db2.gz ZROWQKBHOKZBIU-HOCLYGCPSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@](C)(O)C1 ZINC000665761178 546394955 /nfs/dbraw/zinc/39/49/55/546394955.db2.gz ZROWQKBHOKZBIU-HOCLYGCPSA-N 1 3 314.474 0.815 20 0 DCADHO CC(C)[C@@H](CO)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665759362 546395530 /nfs/dbraw/zinc/39/55/30/546395530.db2.gz DMYUCUCBRSSTKL-UONOGXRCSA-N 1 3 302.463 0.575 20 0 DCADHO CC(C)[C@@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665759362 546395534 /nfs/dbraw/zinc/39/55/34/546395534.db2.gz DMYUCUCBRSSTKL-UONOGXRCSA-N 1 3 302.463 0.575 20 0 DCADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)O ZINC000665764073 546397462 /nfs/dbraw/zinc/39/74/62/546397462.db2.gz TWYZQHATZRXOGT-IHRRRGAJSA-N 1 3 302.463 0.717 20 0 DCADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)O ZINC000665764073 546397467 /nfs/dbraw/zinc/39/74/67/546397467.db2.gz TWYZQHATZRXOGT-IHRRRGAJSA-N 1 3 302.463 0.717 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCO[C@H]1CC1(F)F ZINC000666211567 546438600 /nfs/dbraw/zinc/43/86/00/546438600.db2.gz TZXLRPDUNSLBHD-LBPRGKRZSA-N 1 3 322.400 0.545 20 0 DCADHO O=C(NC1CC1)c1ccc(CNCCN2CC[NH2+]CC2)cc1 ZINC000666814943 546514986 /nfs/dbraw/zinc/51/49/86/546514986.db2.gz RBBFGQVVPUWIAB-UHFFFAOYSA-N 1 3 302.422 0.574 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000668670355 546818337 /nfs/dbraw/zinc/81/83/37/546818337.db2.gz KLRQHSFSJCSSAX-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CCC[NH2+]CC2)CCCO1 ZINC000669570912 546992862 /nfs/dbraw/zinc/99/28/62/546992862.db2.gz ONHLYDJFFGRLGB-HUUCEWRRSA-N 1 3 312.458 0.929 20 0 DCADHO COc1cccnc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000672930198 547423530 /nfs/dbraw/zinc/42/35/30/547423530.db2.gz SYLBMQSDOBXUDU-UHFFFAOYSA-N 1 3 308.426 0.585 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000675196075 547668399 /nfs/dbraw/zinc/66/83/99/547668399.db2.gz ZEPIZHHFNAXRSV-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO CCS(=O)(=O)C[C@@H](C)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678770898 548002981 /nfs/dbraw/zinc/00/29/81/548002981.db2.gz JEGUDSLMENUUJR-KGLIPLIRSA-N 1 3 317.499 0.568 20 0 DCADHO COCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001669399771 1174925536 /nfs/dbraw/zinc/92/55/36/1174925536.db2.gz NMSSQJTXJDGULL-DOMZBBRYSA-N 1 3 303.422 0.940 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594670 660497828 /nfs/dbraw/zinc/49/78/28/660497828.db2.gz LLZFPATYCAPCDB-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594670 660497831 /nfs/dbraw/zinc/49/78/31/660497831.db2.gz LLZFPATYCAPCDB-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000979101590 660662138 /nfs/dbraw/zinc/66/21/38/660662138.db2.gz KTDJCOVMJWJQKP-OSYLJGHBSA-N 1 3 317.433 0.648 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000979101590 660662140 /nfs/dbraw/zinc/66/21/40/660662140.db2.gz KTDJCOVMJWJQKP-OSYLJGHBSA-N 1 3 317.433 0.648 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2ccn(C)n2)CN1C(=O)CN1CCCC1 ZINC000980799759 661015481 /nfs/dbraw/zinc/01/54/81/661015481.db2.gz LENLPNZZSQALBP-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037200 661093586 /nfs/dbraw/zinc/09/35/86/661093586.db2.gz RBAYEHVOQGCCHK-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037200 661093588 /nfs/dbraw/zinc/09/35/88/661093588.db2.gz RBAYEHVOQGCCHK-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO C1C[C@H]([C@H]2COCCN2)[C@@H]([NH2+][C@@H]2CNCC3(CCOCC3)C2)C1 ZINC000925792336 661091882 /nfs/dbraw/zinc/09/18/82/661091882.db2.gz FVUCFASIXUDOJB-LUKYLMHMSA-N 1 3 323.481 0.892 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982011658 661271931 /nfs/dbraw/zinc/27/19/31/661271931.db2.gz HUWNEUIZLBWUJO-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982011658 661271932 /nfs/dbraw/zinc/27/19/32/661271932.db2.gz HUWNEUIZLBWUJO-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000998270586 665427590 /nfs/dbraw/zinc/42/75/90/665427590.db2.gz VOPYTEQJTNLKBN-INIZCTEOSA-N 1 3 309.454 0.947 20 0 DCADHO CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998548321 665478595 /nfs/dbraw/zinc/47/85/95/665478595.db2.gz GGNDSGRQCFZPGK-SSDMNJCBSA-N 1 3 320.441 0.471 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891538199 657466176 /nfs/dbraw/zinc/46/61/76/657466176.db2.gz SWVFIRVVTDDUNK-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001041672764 657474387 /nfs/dbraw/zinc/47/43/87/657474387.db2.gz RFKIGUAUQABISG-QGZVFWFLSA-N 1 3 309.454 0.635 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001041672764 657474391 /nfs/dbraw/zinc/47/43/91/657474391.db2.gz RFKIGUAUQABISG-QGZVFWFLSA-N 1 3 309.454 0.635 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001023128949 657539767 /nfs/dbraw/zinc/53/97/67/657539767.db2.gz ZWZHKPVRFZUGCX-RFQIPJPRSA-N 1 3 310.442 0.362 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2CN(C[C@H](C)O)C2)CC1 ZINC000970669938 657765256 /nfs/dbraw/zinc/76/52/56/657765256.db2.gz GRVSLDYCBFYQLX-KBPBESRZSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968661 658103182 /nfs/dbraw/zinc/10/31/82/658103182.db2.gz GNWLAEZMPJVQKO-GWUWNPHMSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968661 658103186 /nfs/dbraw/zinc/10/31/86/658103186.db2.gz GNWLAEZMPJVQKO-GWUWNPHMSA-N 1 3 307.438 0.791 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001020588889 658159713 /nfs/dbraw/zinc/15/97/13/658159713.db2.gz PMBORJGIJQDPIL-RBSFLKMASA-N 1 3 305.426 0.462 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892386813 658179195 /nfs/dbraw/zinc/17/91/95/658179195.db2.gz MXWIIERECBWNFD-CYBMUJFWSA-N 1 3 300.447 0.378 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)C(F)F ZINC000892149705 658226806 /nfs/dbraw/zinc/22/68/06/658226806.db2.gz DFAOUXVYOQKQRN-STQMWFEESA-N 1 3 312.364 0.983 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@H]2CNCCO2)CCN1c1cc[nH+]cc1 ZINC000892184022 658279479 /nfs/dbraw/zinc/27/94/79/658279479.db2.gz NSJBUZMAFADZST-DZGCQCFKSA-N 1 3 319.409 0.290 20 0 DCADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000892189957 658291482 /nfs/dbraw/zinc/29/14/82/658291482.db2.gz QNSQSXTUKWOLKS-OAHLLOKOSA-N 1 3 312.458 0.882 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000969961144 658299469 /nfs/dbraw/zinc/29/94/69/658299469.db2.gz AQJFUSFGEBLUIP-IUODEOHRSA-N 1 3 301.406 0.382 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001022716052 658369821 /nfs/dbraw/zinc/36/98/21/658369821.db2.gz QJAVDWIJFQCNDD-YUELXQCFSA-N 1 3 305.426 0.499 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001022717231 658375709 /nfs/dbraw/zinc/37/57/09/658375709.db2.gz UMNHIOVZGFWMGL-OKILXGFUSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970171256 658689050 /nfs/dbraw/zinc/68/90/50/658689050.db2.gz XOGVJMMILGQZKZ-XOSUWLCWSA-N 1 3 307.438 0.695 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCCO)C12CCC[NH+]1CCC2 ZINC001024531376 658691350 /nfs/dbraw/zinc/69/13/50/658691350.db2.gz QHCNNQRYQPRXCP-HNNXBMFYSA-N 1 3 309.454 0.968 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970177507 658698674 /nfs/dbraw/zinc/69/86/74/658698674.db2.gz XKGSTVWPEXCAGM-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970177509 658699056 /nfs/dbraw/zinc/69/90/56/658699056.db2.gz XKGSTVWPEXCAGM-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001021049509 658727636 /nfs/dbraw/zinc/72/76/36/658727636.db2.gz OOKNQQTYZJZBHI-XJFOESAGSA-N 1 3 303.410 0.726 20 0 DCADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001021049509 658727639 /nfs/dbraw/zinc/72/76/39/658727639.db2.gz OOKNQQTYZJZBHI-XJFOESAGSA-N 1 3 303.410 0.726 20 0 DCADHO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429630 658754965 /nfs/dbraw/zinc/75/49/65/658754965.db2.gz LOQIUWUBVACYKV-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429630 658754968 /nfs/dbraw/zinc/75/49/68/658754968.db2.gz LOQIUWUBVACYKV-ZFWWWQNUSA-N 1 3 306.410 0.912 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cccn3)C2)CC1 ZINC000970333872 658871918 /nfs/dbraw/zinc/87/19/18/658871918.db2.gz BSUYCQVBHNSSOK-MRXNPFEDSA-N 1 3 319.453 0.806 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000891513933 658899456 /nfs/dbraw/zinc/89/94/56/658899456.db2.gz KCAIZLXLWSZEBM-XFIYOXNOSA-N 1 3 322.453 0.679 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCn3cncn3)C2)C1 ZINC000999409188 665642345 /nfs/dbraw/zinc/64/23/45/665642345.db2.gz PCLSCQCGCDWBGJ-WLYUNCDWSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CC(N)=O ZINC000939806814 665647587 /nfs/dbraw/zinc/64/75/87/665647587.db2.gz NRJCIGDFAOIXHU-IUODEOHRSA-N 1 3 318.421 0.284 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000973291802 659228167 /nfs/dbraw/zinc/22/81/67/659228167.db2.gz CJKBOELOUIABGI-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000973291802 659228170 /nfs/dbraw/zinc/22/81/70/659228170.db2.gz CJKBOELOUIABGI-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000974148939 659230156 /nfs/dbraw/zinc/23/01/56/659230156.db2.gz BHKPHCPASHROLU-BARDWOONSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000974148939 659230159 /nfs/dbraw/zinc/23/01/59/659230159.db2.gz BHKPHCPASHROLU-BARDWOONSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC001027334892 659265230 /nfs/dbraw/zinc/26/52/30/659265230.db2.gz XGXNPMLTBWSAFJ-CVEARBPZSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC001027334892 659265233 /nfs/dbraw/zinc/26/52/33/659265233.db2.gz XGXNPMLTBWSAFJ-CVEARBPZSA-N 1 3 319.453 0.900 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC001026387378 659271248 /nfs/dbraw/zinc/27/12/48/659271248.db2.gz ZTKIERYGLWILPU-KKUMJFAQSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000925581300 659285953 /nfs/dbraw/zinc/28/59/53/659285953.db2.gz ROEKHRGHMDBAGS-FZMZJTMJSA-N 1 3 301.456 0.673 20 0 DCADHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC000999602965 665663558 /nfs/dbraw/zinc/66/35/58/665663558.db2.gz ZNMMVHXYEAJCGI-YMAMQOFZSA-N 1 3 324.469 0.561 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001026726942 659481702 /nfs/dbraw/zinc/48/17/02/659481702.db2.gz IDOFNTVFFFMHQC-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799102 659566114 /nfs/dbraw/zinc/56/61/14/659566114.db2.gz VXYMUYIEDGIDAN-OWYFMNJBSA-N 1 3 307.438 0.552 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799102 659566118 /nfs/dbraw/zinc/56/61/18/659566118.db2.gz VXYMUYIEDGIDAN-OWYFMNJBSA-N 1 3 307.438 0.552 20 0 DCADHO CC(C)[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)N1CCN(C)CC1 ZINC000328554430 659571703 /nfs/dbraw/zinc/57/17/03/659571703.db2.gz XUIPUVBBUBXCFN-FRMKIJSPSA-N 1 3 306.498 0.844 20 0 DCADHO COCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974579895 659584225 /nfs/dbraw/zinc/58/42/25/659584225.db2.gz WJJBCMRWRULQBU-HUUCEWRRSA-N 1 3 309.454 0.801 20 0 DCADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999828136 665694910 /nfs/dbraw/zinc/69/49/10/665694910.db2.gz CXYXEZSYOXSXGX-HLIUYOAVSA-N 1 3 317.437 0.816 20 0 DCADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999828136 665694911 /nfs/dbraw/zinc/69/49/11/665694911.db2.gz CXYXEZSYOXSXGX-HLIUYOAVSA-N 1 3 317.437 0.816 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CCOC2)C1)C1CCC1 ZINC001026889259 659625328 /nfs/dbraw/zinc/62/53/28/659625328.db2.gz VBYLAJRFSYQQIA-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1)[NH+](C)C ZINC001026901211 659629820 /nfs/dbraw/zinc/62/98/20/659629820.db2.gz LJGUUONSFKEJCV-ZFWWWQNUSA-N 1 3 322.457 0.339 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001026916528 659641570 /nfs/dbraw/zinc/64/15/70/659641570.db2.gz JEMHITIOSLPANP-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001026965684 659680363 /nfs/dbraw/zinc/68/03/63/659680363.db2.gz YNNAKNGNCJVKOT-JBCIKUTRSA-N 1 3 319.449 0.698 20 0 DCADHO CN1CC[C@H](N[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000076105 665735792 /nfs/dbraw/zinc/73/57/92/665735792.db2.gz DBVZEFIJLGWBRK-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028314589 661454230 /nfs/dbraw/zinc/45/42/30/661454230.db2.gz WGEJGWOAKQGIAP-ZBFHGGJFSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028314589 661454232 /nfs/dbraw/zinc/45/42/32/661454232.db2.gz WGEJGWOAKQGIAP-ZBFHGGJFSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000192391 665770018 /nfs/dbraw/zinc/77/00/18/665770018.db2.gz MEWMWHKQHVWOIH-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC001000209857 665781439 /nfs/dbraw/zinc/78/14/39/665781439.db2.gz PQPCXFWKDPKLMD-BBRMVZONSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028656147 661730869 /nfs/dbraw/zinc/73/08/69/661730869.db2.gz FDBLTKGHZJFWFG-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001000229811 665789819 /nfs/dbraw/zinc/78/98/19/665789819.db2.gz XQYUBUFHFLKCIC-KBPBESRZSA-N 1 3 308.430 0.199 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000940525583 665791472 /nfs/dbraw/zinc/79/14/72/665791472.db2.gz HSILRBUHXBROOF-KFWWJZLASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000940525583 665791473 /nfs/dbraw/zinc/79/14/73/665791473.db2.gz HSILRBUHXBROOF-KFWWJZLASA-N 1 3 324.469 0.241 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001028776015 661819335 /nfs/dbraw/zinc/81/93/35/661819335.db2.gz DRNIWBIPMAVRHW-AWEZNQCLSA-N 1 3 319.453 0.700 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000924981668 661830045 /nfs/dbraw/zinc/83/00/45/661830045.db2.gz LOIQQCTUHKKHNK-ARFHVFGLSA-N 1 3 305.422 0.861 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173876 662025817 /nfs/dbraw/zinc/02/58/17/662025817.db2.gz SJHSVISHODDKBB-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1=O ZINC000237160970 662045123 /nfs/dbraw/zinc/04/51/23/662045123.db2.gz VDAVFOJARKELHR-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000984370881 662164191 /nfs/dbraw/zinc/16/41/91/662164191.db2.gz OEBBTFQBRDSTJE-RJZXRHAOSA-N 1 3 307.438 0.742 20 0 DCADHO C[N@@H+]1C[C@@H]2CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)[C@@H]2C1 ZINC000896748997 662310266 /nfs/dbraw/zinc/31/02/66/662310266.db2.gz NLAWEUMPHSJUMK-NUEKZKHPSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1C[C@@H]2CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)[C@@H]2C1 ZINC000896748997 662310268 /nfs/dbraw/zinc/31/02/68/662310268.db2.gz NLAWEUMPHSJUMK-NUEKZKHPSA-N 1 3 322.453 0.585 20 0 DCADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC000985118791 662369513 /nfs/dbraw/zinc/36/95/13/662369513.db2.gz DNVFWRXIGRKJNA-KBUPBQIOSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@@H](NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC000985118791 662369514 /nfs/dbraw/zinc/36/95/14/662369514.db2.gz DNVFWRXIGRKJNA-KBUPBQIOSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985466592 662460154 /nfs/dbraw/zinc/46/01/54/662460154.db2.gz AEWRMLKYCMDFEB-RISCZKNCSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985466592 662460155 /nfs/dbraw/zinc/46/01/55/662460155.db2.gz AEWRMLKYCMDFEB-RISCZKNCSA-N 1 3 310.442 0.123 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468066 662460742 /nfs/dbraw/zinc/46/07/42/662460742.db2.gz OSHXIHUYOLMOFJ-LBPRGKRZSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468066 662460743 /nfs/dbraw/zinc/46/07/43/662460743.db2.gz OSHXIHUYOLMOFJ-LBPRGKRZSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985647924 662495517 /nfs/dbraw/zinc/49/55/17/662495517.db2.gz RWRMEAGXUJVVAZ-DZGCQCFKSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985647924 662495518 /nfs/dbraw/zinc/49/55/18/662495518.db2.gz RWRMEAGXUJVVAZ-DZGCQCFKSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)CN1CCCC1 ZINC000987515082 662683400 /nfs/dbraw/zinc/68/34/00/662683400.db2.gz AIEWEGMSSINCSD-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCCC1 ZINC000987519452 662685400 /nfs/dbraw/zinc/68/54/00/662685400.db2.gz OJKBFJLBWLUCCH-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000664799 665906902 /nfs/dbraw/zinc/90/69/02/665906902.db2.gz QHZSODISUSPOMD-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000664799 665906905 /nfs/dbraw/zinc/90/69/05/665906905.db2.gz QHZSODISUSPOMD-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCn2cccn2)CN1C(=O)CN(C)C1CCC1 ZINC000988956133 662873520 /nfs/dbraw/zinc/87/35/20/662873520.db2.gz OFQMGVCAECXMTB-GJZGRUSLSA-N 1 3 319.453 0.946 20 0 DCADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729620097 662905774 /nfs/dbraw/zinc/90/57/74/662905774.db2.gz VCPXYAGDQGAWEP-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729620097 662905775 /nfs/dbraw/zinc/90/57/75/662905775.db2.gz VCPXYAGDQGAWEP-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989492254 662953815 /nfs/dbraw/zinc/95/38/15/662953815.db2.gz LVXULSMWTWENFR-TZMCWYRMSA-N 1 3 319.409 0.154 20 0 DCADHO C[C@@H]1C[C@H](NCCF)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618290 662965119 /nfs/dbraw/zinc/96/51/19/662965119.db2.gz HJNBTTGDYSKWBP-OLZOCXBDSA-N 1 3 301.406 0.646 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000989800756 662978349 /nfs/dbraw/zinc/97/83/49/662978349.db2.gz VTNPOHOJDYGUHN-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCc2ccnn2C)CN1C(=O)CN1CCCC1 ZINC000989799020 662980475 /nfs/dbraw/zinc/98/04/75/662980475.db2.gz ITPWOZSPAVHWAZ-CABCVRRESA-N 1 3 319.453 0.637 20 0 DCADHO CC1(C)CC[N@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000898591915 663096177 /nfs/dbraw/zinc/09/61/77/663096177.db2.gz ZHARFMZCUJWRLU-UONOGXRCSA-N 1 3 310.442 0.179 20 0 DCADHO CC1(C)CC[N@@H+](CCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000898591915 663096178 /nfs/dbraw/zinc/09/61/78/663096178.db2.gz ZHARFMZCUJWRLU-UONOGXRCSA-N 1 3 310.442 0.179 20 0 DCADHO C[C@]12C[N@@H+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000899255616 663132943 /nfs/dbraw/zinc/13/29/43/663132943.db2.gz UUZJEDWAXQOIMN-IQNXINDISA-N 1 3 306.406 0.864 20 0 DCADHO C[C@]12C[N@H+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000899255616 663132944 /nfs/dbraw/zinc/13/29/44/663132944.db2.gz UUZJEDWAXQOIMN-IQNXINDISA-N 1 3 306.406 0.864 20 0 DCADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)(N2CCCCC2)CC1 ZINC000900859461 663288498 /nfs/dbraw/zinc/28/84/98/663288498.db2.gz ZLHAECDLLHZFMT-UONOGXRCSA-N 1 3 322.453 0.174 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000914725 665949437 /nfs/dbraw/zinc/94/94/37/665949437.db2.gz AUOOMCQIBANQGG-CABCVRRESA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000914725 665949438 /nfs/dbraw/zinc/94/94/38/665949438.db2.gz AUOOMCQIBANQGG-CABCVRRESA-N 1 3 305.426 0.452 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901132399 663323700 /nfs/dbraw/zinc/32/37/00/663323700.db2.gz DNLNFFKUTBSPLC-CQSZACIVSA-N 1 3 323.441 0.021 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903737703 663478499 /nfs/dbraw/zinc/47/84/99/663478499.db2.gz VELCSKKXZOLTGV-MRXNPFEDSA-N 1 3 308.470 0.616 20 0 DCADHO COC(=O)[C@]1(C)CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897954 663493760 /nfs/dbraw/zinc/49/37/60/663493760.db2.gz KSQNDJALRJRZTF-CZUORRHYSA-N 1 3 308.426 0.731 20 0 DCADHO CC(=O)N1C[C@H]2CN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C[C@H]2C1 ZINC000903939818 663497681 /nfs/dbraw/zinc/49/76/81/663497681.db2.gz NLVOGINWFXVJEK-OIISXLGYSA-N 1 3 319.453 0.256 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904326193 663508756 /nfs/dbraw/zinc/50/87/56/663508756.db2.gz FUXIVPMWLYHDDA-RDJZCZTQSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@]1(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CCCNC1 ZINC000904362367 663510255 /nfs/dbraw/zinc/51/02/55/663510255.db2.gz LBGYOSUSAIAKFG-HNNXBMFYSA-N 1 3 315.483 0.922 20 0 DCADHO CC(C)CN1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905065562 663529702 /nfs/dbraw/zinc/52/97/02/663529702.db2.gz IFKKFXOZSRIWPK-HNNXBMFYSA-N 1 3 300.443 0.599 20 0 DCADHO CC(C)CN1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905067440 663530178 /nfs/dbraw/zinc/53/01/78/663530178.db2.gz XVSKBWKKBFQMBF-HZPDHXFCSA-N 1 3 300.443 0.599 20 0 DCADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)C2(O)CCC2)ccn1 ZINC000905192568 663537600 /nfs/dbraw/zinc/53/76/00/663537600.db2.gz VUVGFPPVLJLPHE-CQSZACIVSA-N 1 3 309.410 0.388 20 0 DCADHO CN1CCN(CC[NH2+]C[C@@H](O)CCC2(O)CCC2)CC1(C)C ZINC000905247094 663541823 /nfs/dbraw/zinc/54/18/23/663541823.db2.gz MANKINZYJRUBHM-HNNXBMFYSA-N 1 3 313.486 0.658 20 0 DCADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000906650436 663627279 /nfs/dbraw/zinc/62/72/79/663627279.db2.gz HTGAGUWTCSBUCZ-AWEZNQCLSA-N 1 3 316.405 0.684 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]CCO)C2)c1 ZINC001000987452 665976174 /nfs/dbraw/zinc/97/61/74/665976174.db2.gz HFXVXQVSNKCZTG-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@H]1CC[C@H](CN2CC(CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001031947235 665984092 /nfs/dbraw/zinc/98/40/92/665984092.db2.gz DQSUMOPVRCKKLP-XJKSGUPXSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000910954509 663958253 /nfs/dbraw/zinc/95/82/53/663958253.db2.gz AIJHBPJCVZIOCG-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911054393 663973164 /nfs/dbraw/zinc/97/31/64/663973164.db2.gz GWVDEEKEBZAMFG-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000911056737 663973463 /nfs/dbraw/zinc/97/34/63/663973463.db2.gz ZVVCZSQJTWONRE-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911029312 663973832 /nfs/dbraw/zinc/97/38/32/663973832.db2.gz MHQYIBDXTSZYKV-SBJFKYEJSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911160334 663995125 /nfs/dbraw/zinc/99/51/25/663995125.db2.gz BMEKELAQFSZQOS-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911161808 663995546 /nfs/dbraw/zinc/99/55/46/663995546.db2.gz NATHQWUIEUWFGZ-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000911161810 663995840 /nfs/dbraw/zinc/99/58/40/663995840.db2.gz NCFBTZYRYDMSRI-KFWWJZLASA-N 1 3 324.469 0.278 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324435 664028045 /nfs/dbraw/zinc/02/80/45/664028045.db2.gz COIYEMYNVCVLFH-YJNKXOJESA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911530179 664069286 /nfs/dbraw/zinc/06/92/86/664069286.db2.gz YERSSFJFGYDFOP-ZDUSSCGKSA-N 1 3 312.458 0.147 20 0 DCADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000911562442 664079804 /nfs/dbraw/zinc/07/98/04/664079804.db2.gz CRRVMAUTGMWULD-RBSFLKMASA-N 1 3 322.453 0.317 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC000911663819 664095918 /nfs/dbraw/zinc/09/59/18/664095918.db2.gz HAEKUEJNRAPSHY-OCCSQVGLSA-N 1 3 321.421 0.955 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)c1cccc2c1OCCNC2 ZINC000911773315 664107156 /nfs/dbraw/zinc/10/71/56/664107156.db2.gz ACCPHEDKAWAYRD-UHFFFAOYSA-N 1 3 318.421 0.146 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn(C2CC2)c1N ZINC000912305230 664160318 /nfs/dbraw/zinc/16/03/18/664160318.db2.gz VYXCIDCRWWCFES-LBPRGKRZSA-N 1 3 322.457 0.802 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn(C2CC2)c1N ZINC000912305230 664160319 /nfs/dbraw/zinc/16/03/19/664160319.db2.gz VYXCIDCRWWCFES-LBPRGKRZSA-N 1 3 322.457 0.802 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000991440675 664295737 /nfs/dbraw/zinc/29/57/37/664295737.db2.gz KOUPYOVZJAUQRU-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991477272 664360488 /nfs/dbraw/zinc/36/04/88/664360488.db2.gz GFNZXZVVGBXBBK-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991477272 664360490 /nfs/dbraw/zinc/36/04/90/664360490.db2.gz GFNZXZVVGBXBBK-OAHLLOKOSA-N 1 3 322.453 0.282 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)C1 ZINC000992802869 664771526 /nfs/dbraw/zinc/77/15/26/664771526.db2.gz AELLUJGPVVNSMN-ARFHVFGLSA-N 1 3 323.481 0.927 20 0 DCADHO C[NH+](C)CC1CN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000916003826 665055861 /nfs/dbraw/zinc/05/58/61/665055861.db2.gz OEYVSSWWSCYCBK-AWEZNQCLSA-N 1 3 301.456 0.296 20 0 DCADHO C[C@H](CCNS(=O)(=O)C[C@@]12CCN(C1)CCC2)[NH+](C)C ZINC000917236758 665123230 /nfs/dbraw/zinc/12/32/30/665123230.db2.gz COIHCDKGPPHMGY-KGLIPLIRSA-N 1 3 303.472 0.732 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031715383 665323163 /nfs/dbraw/zinc/32/31/63/665323163.db2.gz SXCKZRUOTSRDCP-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC000997844559 665353226 /nfs/dbraw/zinc/35/32/26/665353226.db2.gz QIIQIOVZQWSPAY-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639325 666033213 /nfs/dbraw/zinc/03/32/13/666033213.db2.gz PTISPWYZPREAFF-MRXNPFEDSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639325 666033214 /nfs/dbraw/zinc/03/32/14/666033214.db2.gz PTISPWYZPREAFF-MRXNPFEDSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941641057 666035811 /nfs/dbraw/zinc/03/58/11/666035811.db2.gz QWFQPPFOFWHJQD-UHFFFAOYSA-N 1 3 320.481 0.567 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@H]1CCN(CCc2ccns2)C1 ZINC001016253169 666039641 /nfs/dbraw/zinc/03/96/41/666039641.db2.gz XTMQXFVMKDIPCR-ZDUSSCGKSA-N 1 3 308.451 0.972 20 0 DCADHO CC[NH+]1CCC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001647890 666082191 /nfs/dbraw/zinc/08/21/91/666082191.db2.gz ZJYYFRSHLGEHIU-CKDBGZEDSA-N 1 3 307.438 0.698 20 0 DCADHO COCC[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003333714 666296255 /nfs/dbraw/zinc/29/62/55/666296255.db2.gz SJEAUMYETGQDGA-GULBITTBSA-N 1 3 323.437 0.077 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)C1CC1 ZINC000946623546 666557180 /nfs/dbraw/zinc/55/71/80/666557180.db2.gz LWIPVATUWHBIOV-IXDOHACOSA-N 1 3 323.481 0.879 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)C1CC1 ZINC000946623546 666557183 /nfs/dbraw/zinc/55/71/83/666557183.db2.gz LWIPVATUWHBIOV-IXDOHACOSA-N 1 3 323.481 0.879 20 0 DCADHO CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033278528 666659151 /nfs/dbraw/zinc/65/91/51/666659151.db2.gz PRBHWPYGCXPTKM-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033278528 666659153 /nfs/dbraw/zinc/65/91/53/666659153.db2.gz PRBHWPYGCXPTKM-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CC(C)(C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCCC1 ZINC000995820320 666713771 /nfs/dbraw/zinc/71/37/71/666713771.db2.gz FTTBNVIIOLXOPJ-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCCO)C1 ZINC001033832228 666840894 /nfs/dbraw/zinc/84/08/94/666840894.db2.gz FCHRHTOVMHPGDE-CVEARBPZSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1)C1CC1 ZINC000996680938 666859152 /nfs/dbraw/zinc/85/91/52/666859152.db2.gz WWVBJLULJHRHLQ-INIZCTEOSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCn2cncn2)CC1)N(C)C ZINC000996963654 667048409 /nfs/dbraw/zinc/04/84/09/667048409.db2.gz GPKRLOAVPVTDRT-OAHLLOKOSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996996182 667062550 /nfs/dbraw/zinc/06/25/50/667062550.db2.gz VUWWIYSRFRNZCT-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000997008635 667071686 /nfs/dbraw/zinc/07/16/86/667071686.db2.gz WBEYVHAUBJINAE-HUUCEWRRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1 ZINC001034734926 667128337 /nfs/dbraw/zinc/12/83/37/667128337.db2.gz CICIZYNFVUFSJU-AJNGGQMLSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034749140 667132277 /nfs/dbraw/zinc/13/22/77/667132277.db2.gz HGSPCYLEDRYFEB-RBSFLKMASA-N 1 3 324.469 0.752 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1)C(N)=O ZINC000997116036 667144361 /nfs/dbraw/zinc/14/43/61/667144361.db2.gz RSWIOPDHPGFUCV-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO Cn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792682 667149054 /nfs/dbraw/zinc/14/90/54/667149054.db2.gz KQRXBPQXTFTEFX-KKUMJFAQSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792682 667149057 /nfs/dbraw/zinc/14/90/57/667149057.db2.gz KQRXBPQXTFTEFX-KKUMJFAQSA-N 1 3 319.453 0.889 20 0 DCADHO COC(=O)CCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549676 667156753 /nfs/dbraw/zinc/15/67/53/667156753.db2.gz OSAUPFNZHJJKDN-OLZOCXBDSA-N 1 3 311.382 0.197 20 0 DCADHO CC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005743317 667189800 /nfs/dbraw/zinc/18/98/00/667189800.db2.gz ZNEAPWGLDJSSAU-GNHJJJEISA-N 1 3 307.438 0.792 20 0 DCADHO CC1(C)CC[C@@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)[NH2+]C1 ZINC000864059270 667207832 /nfs/dbraw/zinc/20/78/32/667207832.db2.gz ZSPBFXQLIODALI-MELADBBJSA-N 1 3 310.442 0.225 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCCO)C2)CC1 ZINC001035166655 667258513 /nfs/dbraw/zinc/25/85/13/667258513.db2.gz FVCHKRIEWGDQNZ-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCCO)C2)CC1 ZINC001035166655 667258515 /nfs/dbraw/zinc/25/85/15/667258515.db2.gz FVCHKRIEWGDQNZ-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[N@@H+]1CC[C@@H](NC[C@]23COCCN2C(=O)COC3)CC1(C)C ZINC000865794612 667347331 /nfs/dbraw/zinc/34/73/31/667347331.db2.gz FEDDEYTYDJTFIW-CZUORRHYSA-N 1 3 311.426 0.077 20 0 DCADHO C[N@H+]1CC[C@@H](NC[C@]23COCCN2C(=O)COC3)CC1(C)C ZINC000865794612 667347334 /nfs/dbraw/zinc/34/73/34/667347334.db2.gz FEDDEYTYDJTFIW-CZUORRHYSA-N 1 3 311.426 0.077 20 0 DCADHO CCCCNC(=O)CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714831 667390213 /nfs/dbraw/zinc/39/02/13/667390213.db2.gz YNEKLPYCGBMWNR-MCIONIFRSA-N 1 3 324.425 0.160 20 0 DCADHO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC2(CN(CCO)C2)CC1 ZINC001035707219 667402575 /nfs/dbraw/zinc/40/25/75/667402575.db2.gz STYDKFCGEOXVHT-CVEARBPZSA-N 1 3 321.465 0.778 20 0 DCADHO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC2(CN(CCO)C2)CC1 ZINC001035707219 667402577 /nfs/dbraw/zinc/40/25/77/667402577.db2.gz STYDKFCGEOXVHT-CVEARBPZSA-N 1 3 321.465 0.778 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035795659 667410558 /nfs/dbraw/zinc/41/05/58/667410558.db2.gz XJMOVOMNEWUETB-LSDHHAIUSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035795659 667410559 /nfs/dbraw/zinc/41/05/59/667410559.db2.gz XJMOVOMNEWUETB-LSDHHAIUSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035795656 667410571 /nfs/dbraw/zinc/41/05/71/667410571.db2.gz XJMOVOMNEWUETB-HUUCEWRRSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035795656 667410572 /nfs/dbraw/zinc/41/05/72/667410572.db2.gz XJMOVOMNEWUETB-HUUCEWRRSA-N 1 3 309.454 0.491 20 0 DCADHO O=C1CCCCN1[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923311251 667505390 /nfs/dbraw/zinc/50/53/90/667505390.db2.gz JNSVKYAFYXUMKZ-CABCVRRESA-N 1 3 307.438 0.842 20 0 DCADHO CCOCCN1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H]1CC ZINC000923323348 667507875 /nfs/dbraw/zinc/50/78/75/667507875.db2.gz SFCXXUZARFOTLN-JKSUJKDBSA-N 1 3 311.470 0.798 20 0 DCADHO O[C@@H](COc1ccccc1F)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923364622 667516392 /nfs/dbraw/zinc/51/63/92/667516392.db2.gz BZBIJTFQMHNELH-LSDHHAIUSA-N 1 3 323.412 0.545 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)nn1 ZINC000923412187 667529380 /nfs/dbraw/zinc/52/93/80/667529380.db2.gz VBJUMFPUZAKDIC-HUUCEWRRSA-N 1 3 305.357 0.856 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)nn1 ZINC000923412187 667529381 /nfs/dbraw/zinc/52/93/81/667529381.db2.gz VBJUMFPUZAKDIC-HUUCEWRRSA-N 1 3 305.357 0.856 20 0 DCADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@@H](CC[NH3+])C1 ZINC000923487340 667543022 /nfs/dbraw/zinc/54/30/22/667543022.db2.gz ZVOCRXBUFYTALA-DTWKUNHWSA-N 1 3 310.320 0.434 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000923491692 667546778 /nfs/dbraw/zinc/54/67/78/667546778.db2.gz MDXVYGSOPWOVKI-UKRRQHHQSA-N 1 3 303.406 0.777 20 0 DCADHO C[C@@H]1CN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1C[NH3+] ZINC000923502637 667547980 /nfs/dbraw/zinc/54/79/80/667547980.db2.gz XXPGOXGGDLDKMS-NFAWXSAZSA-N 1 3 305.426 0.832 20 0 DCADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498148 667549188 /nfs/dbraw/zinc/54/91/88/667549188.db2.gz JOZANTUPFBXCTN-OPRDCNLKSA-N 1 3 324.347 0.680 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000884576709 667569263 /nfs/dbraw/zinc/56/92/63/667569263.db2.gz OMSWFCKKDBMZCP-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884577394 667569532 /nfs/dbraw/zinc/56/95/32/667569532.db2.gz DVFYHLUXSXHQSJ-JKIFEVAISA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCNCCC12CCC2)[N@H+](C)C1CC1 ZINC000884617599 667576213 /nfs/dbraw/zinc/57/62/13/667576213.db2.gz OTNBFJYNUUIDAP-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCNCCC12CCC2)[N@@H+](C)C1CC1 ZINC000884617599 667576216 /nfs/dbraw/zinc/57/62/16/667576216.db2.gz OTNBFJYNUUIDAP-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCCCCC[NH3+])C1=CCN(C)CC1 ZINC000884623652 667578106 /nfs/dbraw/zinc/57/81/06/667578106.db2.gz KQSDOEMVOVHAQE-CQSZACIVSA-N 1 3 324.469 0.731 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000884631277 667579657 /nfs/dbraw/zinc/57/96/57/667579657.db2.gz FLLQJYZHHCCMQJ-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884878749 667617967 /nfs/dbraw/zinc/61/79/67/667617967.db2.gz HQTHUXLTXMHONA-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO COCCN(C)C(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000871604195 667839856 /nfs/dbraw/zinc/83/98/56/667839856.db2.gz XDKVYSXQLFFJFF-CYBMUJFWSA-N 1 3 313.446 0.032 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N(C)CCN1CCCC1 ZINC000872188389 667872435 /nfs/dbraw/zinc/87/24/35/667872435.db2.gz UYNWEOPLMBFCEM-UHFFFAOYSA-N 1 3 312.458 0.518 20 0 DCADHO CCCN(C)CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000872256682 667883253 /nfs/dbraw/zinc/88/32/53/667883253.db2.gz ZGAQFEIZKXYBQY-KGLIPLIRSA-N 1 3 324.425 0.112 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)CNC(=S)NC1CCN(C)CC1 ZINC000753963464 668039253 /nfs/dbraw/zinc/03/92/53/668039253.db2.gz HTAFBVYHQAARSP-AWEZNQCLSA-N 1 3 316.515 0.902 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873328858 668074136 /nfs/dbraw/zinc/07/41/36/668074136.db2.gz QYIQGJQTIVQWLN-DOMZBBRYSA-N 1 3 306.414 0.851 20 0 DCADHO CN(C(=O)CN1CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000874460406 668190673 /nfs/dbraw/zinc/19/06/73/668190673.db2.gz VXFOOMIFBCKSPC-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C(=O)CN1CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000874460406 668190675 /nfs/dbraw/zinc/19/06/75/668190675.db2.gz VXFOOMIFBCKSPC-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@H]1CCC[N@@H+](C(C)(C)CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924521402 668214508 /nfs/dbraw/zinc/21/45/08/668214508.db2.gz CYDFTDPNWDITBC-QWHCGFSZSA-N 1 3 310.442 0.979 20 0 DCADHO C[C@H]1CCC[N@H+](C(C)(C)CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924521402 668214509 /nfs/dbraw/zinc/21/45/09/668214509.db2.gz CYDFTDPNWDITBC-QWHCGFSZSA-N 1 3 310.442 0.979 20 0 DCADHO C[C@@H]1C[C@@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)CC[N@@H+]1C ZINC000924629481 668223295 /nfs/dbraw/zinc/22/32/95/668223295.db2.gz PRQFERAWUAQQGP-HZSPNIEDSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@@H]1C[C@@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)CC[N@H+]1C ZINC000924629481 668223297 /nfs/dbraw/zinc/22/32/97/668223297.db2.gz PRQFERAWUAQQGP-HZSPNIEDSA-N 1 3 308.426 0.875 20 0 DCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000925620942 668337279 /nfs/dbraw/zinc/33/72/79/668337279.db2.gz DTSGLVXAWSWRQL-CRWXNKLISA-N 1 3 315.483 0.634 20 0 DCADHO CNS(=O)(=O)CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925726636 668343664 /nfs/dbraw/zinc/34/36/64/668343664.db2.gz VDPVUKYTYYWSGC-KBPBESRZSA-N 1 3 303.472 0.684 20 0 DCADHO CNS(=O)(=O)CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925726636 668343669 /nfs/dbraw/zinc/34/36/69/668343669.db2.gz VDPVUKYTYYWSGC-KBPBESRZSA-N 1 3 303.472 0.684 20 0 DCADHO Cn1ccn2c(CC[NH2+][C@H]3C[C@@H](N)c4ccccc43)nnc2c1=O ZINC000925774335 668347851 /nfs/dbraw/zinc/34/78/51/668347851.db2.gz UPXYEPDKFNYRMM-KGLIPLIRSA-N 1 3 324.388 0.705 20 0 DCADHO CN(C)C1(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000763006928 668389793 /nfs/dbraw/zinc/38/97/93/668389793.db2.gz IITPNVHWSFPYRW-CQSZACIVSA-N 1 3 322.453 0.411 20 0 DCADHO CN(C)C1(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000763006928 668389796 /nfs/dbraw/zinc/38/97/96/668389796.db2.gz IITPNVHWSFPYRW-CQSZACIVSA-N 1 3 322.453 0.411 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926329109 668395261 /nfs/dbraw/zinc/39/52/61/668395261.db2.gz VZIVWLFLTKRAAT-KRWDZBQOSA-N 1 3 322.453 0.285 20 0 DCADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1cnnn1C)C2 ZINC000926879511 668438087 /nfs/dbraw/zinc/43/80/87/668438087.db2.gz LASPEEVHNBOZPH-USNPWTNRSA-N 1 3 307.442 0.945 20 0 DCADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1cnnn1C)C2 ZINC000926879511 668438089 /nfs/dbraw/zinc/43/80/89/668438089.db2.gz LASPEEVHNBOZPH-USNPWTNRSA-N 1 3 307.442 0.945 20 0 DCADHO C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927635522 668489099 /nfs/dbraw/zinc/48/90/99/668489099.db2.gz HAPBLLUWMNWOFD-CQSZACIVSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)[C@@H](CNC(=O)c1c(C[NH3+])cnn1C)c1ccccc1 ZINC000876708370 668492107 /nfs/dbraw/zinc/49/21/07/668492107.db2.gz ODQAZSFQVZKERU-AWEZNQCLSA-N 1 3 301.394 0.912 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000927648965 668492431 /nfs/dbraw/zinc/49/24/31/668492431.db2.gz UKOKGKOWCQKTHU-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)C[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000876711718 668493371 /nfs/dbraw/zinc/49/33/71/668493371.db2.gz CSHWZMHNCGZXHW-INIZCTEOSA-N 1 3 304.438 0.788 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)c2c(C[NH3+])cnn2C)C[C@H](C)O1 ZINC000876730620 668498063 /nfs/dbraw/zinc/49/80/63/668498063.db2.gz IBAWSOCQWFKMHG-BETUJISGSA-N 1 3 323.441 0.498 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876748523 668500950 /nfs/dbraw/zinc/50/09/50/668500950.db2.gz DPZBUPQGDCKJIE-RDBSUJKOSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876777922 668509046 /nfs/dbraw/zinc/50/90/46/668509046.db2.gz SQQJAQAPAJLULE-ZFWWWQNUSA-N 1 3 315.433 0.940 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000876781670 668509893 /nfs/dbraw/zinc/50/98/93/668509893.db2.gz QLBAYHFAUVFLAZ-UQPPLGOBSA-N 1 3 308.470 0.661 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876782261 668510747 /nfs/dbraw/zinc/51/07/47/668510747.db2.gz OBKHMDXGTVZTME-JZXOWHBKSA-N 1 3 322.497 0.908 20 0 DCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCNC(C)(C)C1 ZINC000876871246 668524585 /nfs/dbraw/zinc/52/45/85/668524585.db2.gz HVAVKOZTFLTZHL-ZDUSSCGKSA-N 1 3 305.426 0.940 20 0 DCADHO CN(C)C[C@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000876890327 668529289 /nfs/dbraw/zinc/52/92/89/668529289.db2.gz WWSVYHUGLVPGRH-INIZCTEOSA-N 1 3 310.486 0.990 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876923792 668536698 /nfs/dbraw/zinc/53/66/98/668536698.db2.gz IOGKQLAKEKSDCK-WMZOPIPTSA-N 1 3 316.449 0.800 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876923789 668537012 /nfs/dbraw/zinc/53/70/12/668537012.db2.gz IOGKQLAKEKSDCK-FUHWJXTLSA-N 1 3 316.449 0.800 20 0 DCADHO CS[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)C[C@H]1N(C)C ZINC000878320731 668712238 /nfs/dbraw/zinc/71/22/38/668712238.db2.gz QQHWGJCIFRWFFK-ZIAGYGMSSA-N 1 3 314.499 0.174 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950822158 670133338 /nfs/dbraw/zinc/13/33/38/670133338.db2.gz YULMHGWUUMFRIG-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000948582669 670134959 /nfs/dbraw/zinc/13/49/59/670134959.db2.gz ROFNPTYSOXSKHV-GFCCVEGCSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000948582669 670134963 /nfs/dbraw/zinc/13/49/63/670134963.db2.gz ROFNPTYSOXSKHV-GFCCVEGCSA-N 1 3 319.409 0.011 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000847311592 670534802 /nfs/dbraw/zinc/53/48/02/670534802.db2.gz HEIKFXSIHSLJSP-APIJFGDWSA-N 1 3 310.442 0.489 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccncn1 ZINC000855346207 670700282 /nfs/dbraw/zinc/70/02/82/670700282.db2.gz RPKCZNZIBSCGPH-UZYOAWRESA-N 1 3 305.426 0.878 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccncn1 ZINC000855346207 670700289 /nfs/dbraw/zinc/70/02/89/670700289.db2.gz RPKCZNZIBSCGPH-UZYOAWRESA-N 1 3 305.426 0.878 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCNC(=O)CC1 ZINC000855347063 670700662 /nfs/dbraw/zinc/70/06/62/670700662.db2.gz RSPVWBXVDACJMB-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCNC(=O)CC1 ZINC000855347063 670700667 /nfs/dbraw/zinc/70/06/67/670700667.db2.gz RSPVWBXVDACJMB-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000855698215 670748575 /nfs/dbraw/zinc/74/85/75/670748575.db2.gz NBJWDNXHFNRAMU-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NC1CCOCC1 ZINC000849277265 670772648 /nfs/dbraw/zinc/77/26/48/670772648.db2.gz XKSHMZOSMHWLSE-ZDUSSCGKSA-N 1 3 316.515 0.902 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NC1CCOCC1 ZINC000849277265 670772651 /nfs/dbraw/zinc/77/26/51/670772651.db2.gz XKSHMZOSMHWLSE-ZDUSSCGKSA-N 1 3 316.515 0.902 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000817157411 670903632 /nfs/dbraw/zinc/90/36/32/670903632.db2.gz JMLWWILHSWMLGC-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000817157411 670903635 /nfs/dbraw/zinc/90/36/35/670903635.db2.gz JMLWWILHSWMLGC-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N1CCCCC1 ZINC000851686945 671014500 /nfs/dbraw/zinc/01/45/00/671014500.db2.gz KOTIZTXUBXOBJA-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000851691692 671016271 /nfs/dbraw/zinc/01/62/71/671016271.db2.gz QRUUZLRKQSOKDJ-MOKVOYLWSA-N 1 3 310.442 0.315 20 0 DCADHO Cc1ccnn1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000858927863 671052615 /nfs/dbraw/zinc/05/26/15/671052615.db2.gz RHMLJKSDYSDFQB-UHFFFAOYSA-N 1 3 319.453 0.866 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CCO1 ZINC000852754606 671156693 /nfs/dbraw/zinc/15/66/93/671156693.db2.gz XWUWUVIDTBDJED-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H](C)C1 ZINC000820081131 671163792 /nfs/dbraw/zinc/16/37/92/671163792.db2.gz USLPZDPDSRZGPQ-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H](C)C1 ZINC000820081131 671163794 /nfs/dbraw/zinc/16/37/94/671163794.db2.gz USLPZDPDSRZGPQ-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO CN(CC1C[NH+](C)C1)CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000853552846 671242558 /nfs/dbraw/zinc/24/25/58/671242558.db2.gz IMLCTGVKFYHGEA-MRXNPFEDSA-N 1 3 308.426 0.354 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(n2cccn2)CC1 ZINC000824819082 671441188 /nfs/dbraw/zinc/44/11/88/671441188.db2.gz JWXHUPQXFHJLMB-AWEZNQCLSA-N 1 3 307.442 0.760 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(n2cccn2)CC1 ZINC000824819082 671441189 /nfs/dbraw/zinc/44/11/89/671441189.db2.gz JWXHUPQXFHJLMB-AWEZNQCLSA-N 1 3 307.442 0.760 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841790299 671955101 /nfs/dbraw/zinc/95/51/01/671955101.db2.gz CEHSNWAZCIJIPB-ZMSDIMECSA-N 1 3 322.453 0.635 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000841790100 671955435 /nfs/dbraw/zinc/95/54/35/671955435.db2.gz UWKYCRINQKFWRB-AALSBFMBSA-N 1 3 322.453 0.537 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000841791512 671955985 /nfs/dbraw/zinc/95/59/85/671955985.db2.gz YQSHAJYZWTYTDV-HZPDHXFCSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841791162 671955999 /nfs/dbraw/zinc/95/59/99/671955999.db2.gz ONMAMSOAZNFKBP-LXTVHRRPSA-N 1 3 308.426 0.386 20 0 DCADHO CC[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[C@H]1[NH3+] ZINC000841791187 671956352 /nfs/dbraw/zinc/95/63/52/671956352.db2.gz PEECSANJZIHBNH-KBUPBQIOSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])N1CCCCC1 ZINC000842016257 671974897 /nfs/dbraw/zinc/97/48/97/671974897.db2.gz SPCFTAHYNGNCHM-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CN1CCCN(c2ccc(-c3noc(CC[NH3+])n3)cn2)CC1 ZINC000843207272 672069971 /nfs/dbraw/zinc/06/99/71/672069971.db2.gz NDUJJJXCAGNLTE-UHFFFAOYSA-N 1 3 302.382 0.775 20 0 DCADHO CCOC(=O)C1=C(CN(C)C2CCC([NH3+])CC2)NC(=O)N[C@H]1C ZINC000843355572 672086494 /nfs/dbraw/zinc/08/64/94/672086494.db2.gz WCWWKCTZCDIHNR-UNXYVOJBSA-N 1 3 324.425 0.707 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843490048 672103619 /nfs/dbraw/zinc/10/36/19/672103619.db2.gz WIBWGXUNQKTPNE-MRXNPFEDSA-N 1 3 320.437 0.740 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000844180814 672158429 /nfs/dbraw/zinc/15/84/29/672158429.db2.gz TYUIHKBHMVKLDR-UTUOFQBUSA-N 1 3 303.353 0.211 20 0 DCADHO CC[NH2+]CC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000844183289 672159286 /nfs/dbraw/zinc/15/92/86/672159286.db2.gz VVSZUQDUDPAFIQ-UHFFFAOYSA-N 1 3 318.465 0.872 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844192482 672161187 /nfs/dbraw/zinc/16/11/87/672161187.db2.gz UIGCITCDAMUVPA-CQSZACIVSA-N 1 3 304.438 0.901 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)N1CCCCC1 ZINC000846336158 672307774 /nfs/dbraw/zinc/30/77/74/672307774.db2.gz WRIBQGLYWHVLOR-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867419936 672312249 /nfs/dbraw/zinc/31/22/49/672312249.db2.gz CODGZFHFGSCUDN-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867419936 672312250 /nfs/dbraw/zinc/31/22/50/672312250.db2.gz CODGZFHFGSCUDN-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001649008491 1158417660 /nfs/dbraw/zinc/41/76/60/1158417660.db2.gz VCNKISOTMOYKRY-MGPQQGTHSA-N 1 3 315.483 0.812 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CNCc2ccccc21 ZINC000390129487 685259487 /nfs/dbraw/zinc/25/94/87/685259487.db2.gz BMHNIYIVKYRGKL-BFYDXBDKSA-N 1 3 315.417 0.853 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CNCc2ccccc21 ZINC000390129487 685259489 /nfs/dbraw/zinc/25/94/89/685259489.db2.gz BMHNIYIVKYRGKL-BFYDXBDKSA-N 1 3 315.417 0.853 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000390129487 685259492 /nfs/dbraw/zinc/25/94/92/685259492.db2.gz BMHNIYIVKYRGKL-BFYDXBDKSA-N 1 3 315.417 0.853 20 0 DCADHO NC(=O)COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000392126580 685262272 /nfs/dbraw/zinc/26/22/72/685262272.db2.gz XIPZBYLDBYZPQH-HNNXBMFYSA-N 1 3 318.421 0.030 20 0 DCADHO O[C@@H](C[NH2+]CCn1cc(Br)cn1)CN1CCCC1 ZINC000385979496 685248347 /nfs/dbraw/zinc/24/83/47/685248347.db2.gz QXDHVBLNICYZPW-LBPRGKRZSA-N 1 3 317.231 0.692 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954318405 685991169 /nfs/dbraw/zinc/99/11/69/685991169.db2.gz SQYCZGHNILHYOZ-DZGCQCFKSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954318405 685991173 /nfs/dbraw/zinc/99/11/73/685991173.db2.gz SQYCZGHNILHYOZ-DZGCQCFKSA-N 1 3 324.469 0.194 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954323533 685994981 /nfs/dbraw/zinc/99/49/81/685994981.db2.gz YXOWYGQNIPTNSM-KGLIPLIRSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954323533 685994986 /nfs/dbraw/zinc/99/49/86/685994986.db2.gz YXOWYGQNIPTNSM-KGLIPLIRSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC000960042266 688286507 /nfs/dbraw/zinc/28/65/07/688286507.db2.gz FOEZMZHXSPVWAS-RRFJBIMHSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000961413500 688612792 /nfs/dbraw/zinc/61/27/92/688612792.db2.gz DPFIPSFYOATTIV-OAHLLOKOSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000961413500 688612796 /nfs/dbraw/zinc/61/27/96/688612796.db2.gz DPFIPSFYOATTIV-OAHLLOKOSA-N 1 3 320.437 0.895 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1 ZINC000962306659 688878989 /nfs/dbraw/zinc/87/89/89/688878989.db2.gz PVOYARYBHVDRKP-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1oncc1CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962705504 688968754 /nfs/dbraw/zinc/96/87/54/688968754.db2.gz YYIOJXDGKBOYRK-JVWICGRDSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000962705504 688968757 /nfs/dbraw/zinc/96/87/57/688968757.db2.gz YYIOJXDGKBOYRK-JVWICGRDSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCCC1)C(N)=O ZINC001039321911 694338894 /nfs/dbraw/zinc/33/88/94/694338894.db2.gz WTOIMUYQKPJDNQ-FFHGMXDLSA-N 1 3 322.453 0.458 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC000967924415 690123227 /nfs/dbraw/zinc/12/32/27/690123227.db2.gz HSOGOHRDKAGXJS-CABCVRRESA-N 1 3 318.421 0.170 20 0 DCADHO CCn1cc(CC[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000967924902 690124209 /nfs/dbraw/zinc/12/42/09/690124209.db2.gz KNWDWRAQPMMKHO-CVEARBPZSA-N 1 3 319.453 0.730 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC000968904735 690420136 /nfs/dbraw/zinc/42/01/36/690420136.db2.gz YJCQZVTVFVCTLH-CQSZACIVSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007993071 690785227 /nfs/dbraw/zinc/78/52/27/690785227.db2.gz YNBNURZAXJWOKJ-GWUWNPHMSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007993071 690785231 /nfs/dbraw/zinc/78/52/31/690785231.db2.gz YNBNURZAXJWOKJ-GWUWNPHMSA-N 1 3 307.438 0.839 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001018627549 693167965 /nfs/dbraw/zinc/16/79/65/693167965.db2.gz HANIBSLHSRPFKF-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)cn1 ZINC001019044098 693334847 /nfs/dbraw/zinc/33/48/47/693334847.db2.gz OIOYAIDMJSKMMP-GJZGRUSLSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1cncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001019044604 693336287 /nfs/dbraw/zinc/33/62/87/693336287.db2.gz WXEUVUAPLUOBJU-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001019342669 693438805 /nfs/dbraw/zinc/43/88/05/693438805.db2.gz BHJBQRYEKIGUQQ-GOEBONIOSA-N 1 3 321.469 0.739 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001020179079 693724768 /nfs/dbraw/zinc/72/47/68/693724768.db2.gz NLSHEHBCAQSLPU-KLHDSHLOSA-N 1 3 307.438 0.887 20 0 DCADHO COC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983508 694691268 /nfs/dbraw/zinc/69/12/68/694691268.db2.gz YOHBKZZGZCWYBV-GJZGRUSLSA-N 1 3 309.454 0.897 20 0 DCADHO COC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983508 694691269 /nfs/dbraw/zinc/69/12/69/694691269.db2.gz YOHBKZZGZCWYBV-GJZGRUSLSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)[C@@H]1CCCN1C ZINC001074562890 694907890 /nfs/dbraw/zinc/90/78/90/694907890.db2.gz MXCJXZVGIZYJPN-QEJZJMRPSA-N 1 3 305.426 0.593 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001076627664 695033191 /nfs/dbraw/zinc/03/31/91/695033191.db2.gz VRUPPZIKLHYYMK-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001076627664 695033192 /nfs/dbraw/zinc/03/31/92/695033192.db2.gz VRUPPZIKLHYYMK-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO COCCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001571044269 1162669274 /nfs/dbraw/zinc/66/92/74/1162669274.db2.gz WYBRZAJMZQKPPX-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO COCCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001571044269 1162669277 /nfs/dbraw/zinc/66/92/77/1162669277.db2.gz WYBRZAJMZQKPPX-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001691440666 1157729581 /nfs/dbraw/zinc/72/95/81/1157729581.db2.gz CYGXWLGZAXAFQM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001691440666 1157729585 /nfs/dbraw/zinc/72/95/85/1157729585.db2.gz CYGXWLGZAXAFQM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)[C@@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)Cc1ccccc1 ZINC001648962063 1158188843 /nfs/dbraw/zinc/18/88/43/1158188843.db2.gz LAEOIOHUNNVHRA-SJLPKXTDSA-N 1 3 319.449 0.780 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC/C=C\CN[C@H]1CCCNC1=O ZINC001483097744 1158373889 /nfs/dbraw/zinc/37/38/89/1158373889.db2.gz MGUWLYVXWARVGS-GWQWAINWSA-N 1 3 322.453 0.403 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001649006800 1158412248 /nfs/dbraw/zinc/41/22/48/1158412248.db2.gz CUUKGQWBSGGBPB-OWCLPIDISA-N 1 3 303.406 0.169 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001649141155 1158787602 /nfs/dbraw/zinc/78/76/02/1158787602.db2.gz BWRCQVHDKOVUQP-IGQOVBAYSA-N 1 3 311.426 0.456 20 0 DCADHO CN(CC1CN(C)C1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001771770668 1158867522 /nfs/dbraw/zinc/86/75/22/1158867522.db2.gz ACROMNDWCDCOJF-HZPDHXFCSA-N 1 3 319.453 0.475 20 0 DCADHO CN(CC1CN(C)C1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001771770668 1158867531 /nfs/dbraw/zinc/86/75/31/1158867531.db2.gz ACROMNDWCDCOJF-HZPDHXFCSA-N 1 3 319.453 0.475 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC[C@@H](C)C1 ZINC001720096039 1158972125 /nfs/dbraw/zinc/97/21/25/1158972125.db2.gz VFLLYCGFLYDSPB-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC[C@@H](C)C1 ZINC001720096039 1158972129 /nfs/dbraw/zinc/97/21/29/1158972129.db2.gz VFLLYCGFLYDSPB-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C[C@H]1C ZINC001446418491 1159407093 /nfs/dbraw/zinc/40/70/93/1159407093.db2.gz MOEKXTAHGIYZHY-CABCVRRESA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1)N1CCCC1 ZINC001446781849 1159540305 /nfs/dbraw/zinc/54/03/05/1159540305.db2.gz ZPWNGWPOBUKWPX-INIZCTEOSA-N 1 3 315.433 0.773 20 0 DCADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1)N1CCCC1 ZINC001446781849 1159540313 /nfs/dbraw/zinc/54/03/13/1159540313.db2.gz ZPWNGWPOBUKWPX-INIZCTEOSA-N 1 3 315.433 0.773 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CC(=O)NC3CC3)CCC2)CCC1 ZINC001447193051 1159599241 /nfs/dbraw/zinc/59/92/41/1159599241.db2.gz AWHZPIWZCKKHNG-UHFFFAOYSA-N 1 3 322.453 0.378 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001447573435 1159663190 /nfs/dbraw/zinc/66/31/90/1159663190.db2.gz FTGMWXVALOMQFK-XQLPTFJDSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001447573435 1159663201 /nfs/dbraw/zinc/66/32/01/1159663201.db2.gz FTGMWXVALOMQFK-XQLPTFJDSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001447720864 1159688899 /nfs/dbraw/zinc/68/88/99/1159688899.db2.gz LHCPPEYICJJAHH-HALDLXJZSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001567560845 1160420409 /nfs/dbraw/zinc/42/04/09/1160420409.db2.gz SKHFEDQKKCULDZ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001567560845 1160420412 /nfs/dbraw/zinc/42/04/12/1160420412.db2.gz SKHFEDQKKCULDZ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]C/C=C\Cl)CC(C)(C)C ZINC001568580341 1160692665 /nfs/dbraw/zinc/69/26/65/1160692665.db2.gz VHSWBIGATJTDDV-FOQNGQEVSA-N 1 3 305.850 0.784 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001569189239 1160970822 /nfs/dbraw/zinc/97/08/22/1160970822.db2.gz XRYQZBSHIQBMAW-AWEZNQCLSA-N 1 3 322.457 0.639 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCn1cccn1 ZINC001569565930 1161150793 /nfs/dbraw/zinc/15/07/93/1161150793.db2.gz HFWRGXFBGNVQTC-HNNXBMFYSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](NCc1c[nH]nn1)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001575698116 1164111107 /nfs/dbraw/zinc/11/11/07/1164111107.db2.gz VEMCWOOOSZGUIO-VXGBXAGGSA-N 1 3 306.414 0.416 20 0 DCADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001576311865 1164297976 /nfs/dbraw/zinc/29/79/76/1164297976.db2.gz UGJRSKFBRSWZGP-HLLBOEOZSA-N 1 3 319.449 0.938 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCc2c[nH]nn2)C1 ZINC001576486597 1164362760 /nfs/dbraw/zinc/36/27/60/1164362760.db2.gz YBJNOEUTEWETGU-OLZOCXBDSA-N 1 3 308.430 0.521 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCc2c[nH]nn2)C1 ZINC001576486597 1164362762 /nfs/dbraw/zinc/36/27/62/1164362762.db2.gz YBJNOEUTEWETGU-OLZOCXBDSA-N 1 3 308.430 0.521 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C[NH2+]1 ZINC001576656324 1164424809 /nfs/dbraw/zinc/42/48/09/1164424809.db2.gz GXBYDXSTLCTYQT-BVUBDWEXSA-N 1 3 319.453 0.712 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C3(O)C[NH2+]C3)CCC2)CCN1C1CCCC1 ZINC001576759741 1164452261 /nfs/dbraw/zinc/45/22/61/1164452261.db2.gz CMSBIPUCNWBFCZ-CQSZACIVSA-N 1 3 321.465 0.966 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCc3c[nH]nn3)C2)CC[N@@H+]1C ZINC001577186395 1164626813 /nfs/dbraw/zinc/62/68/13/1164626813.db2.gz NBRBIQGYLDQATI-BPLDGKMQSA-N 1 3 320.441 0.268 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCc3c[nH]nn3)C2)CC[N@H+]1C ZINC001577186395 1164626820 /nfs/dbraw/zinc/62/68/20/1164626820.db2.gz NBRBIQGYLDQATI-BPLDGKMQSA-N 1 3 320.441 0.268 20 0 DCADHO CCN1C[C@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C(C)(C)C1 ZINC001577760113 1164783922 /nfs/dbraw/zinc/78/39/22/1164783922.db2.gz MLFSXWSDAGKHOV-RISCZKNCSA-N 1 3 305.426 0.947 20 0 DCADHO CCO[C@H](CNC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C[NH+](C)C ZINC001578075443 1164918218 /nfs/dbraw/zinc/91/82/18/1164918218.db2.gz ILVKUTVGJSIYLD-XQQFMLRXSA-N 1 3 316.446 0.365 20 0 DCADHO C[NH+](C)C[C@@]1(O)CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC001578412199 1165004328 /nfs/dbraw/zinc/00/43/28/1165004328.db2.gz IAHYGCGATYDLDF-WBVHZDCISA-N 1 3 303.406 0.746 20 0 DCADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1O ZINC001578418540 1165008341 /nfs/dbraw/zinc/00/83/41/1165008341.db2.gz BJJDBJDRBDHZPD-KBPBESRZSA-N 1 3 317.389 0.947 20 0 DCADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1O ZINC001578418541 1165008981 /nfs/dbraw/zinc/00/89/81/1165008981.db2.gz BJJDBJDRBDHZPD-KGLIPLIRSA-N 1 3 317.389 0.947 20 0 DCADHO CN1CCC[C@H](NC(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)C1 ZINC001578529110 1165046529 /nfs/dbraw/zinc/04/65/29/1165046529.db2.gz PXOWAKSIQVGMCE-UONOGXRCSA-N 1 3 316.405 0.723 20 0 DCADHO CN1CC[NH2+]C[C@@H]1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC001578540191 1165052575 /nfs/dbraw/zinc/05/25/75/1165052575.db2.gz PLDOVWMDGFPANZ-HZPDHXFCSA-N 1 3 318.421 0.095 20 0 DCADHO NC(=O)CCC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC001580090993 1165498933 /nfs/dbraw/zinc/49/89/33/1165498933.db2.gz CDBMUNJUELPLNU-IRXDYDNUSA-N 1 3 319.449 0.895 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001580206106 1165536654 /nfs/dbraw/zinc/53/66/54/1165536654.db2.gz CKFNCSJMCNWWQM-GRYCIOLGSA-N 1 3 323.359 0.883 20 0 DCADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)C1 ZINC001580402199 1165594369 /nfs/dbraw/zinc/59/43/69/1165594369.db2.gz OFBGHYSHCLDIAI-QKNJOQAUSA-N 1 3 307.438 0.608 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001580612160 1165656957 /nfs/dbraw/zinc/65/69/57/1165656957.db2.gz UTQNZVOCLHSCKK-LSDHHAIUSA-N 1 3 323.437 0.125 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001583567569 1166269786 /nfs/dbraw/zinc/26/97/86/1166269786.db2.gz KZGCATITVQDLAK-CNBITHIKSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@@H](C(=O)NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001583567569 1166269792 /nfs/dbraw/zinc/26/97/92/1166269792.db2.gz KZGCATITVQDLAK-CNBITHIKSA-N 1 3 324.469 0.457 20 0 DCADHO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589963482 1166732197 /nfs/dbraw/zinc/73/21/97/1166732197.db2.gz MILSGPRWXKESPI-LLVKDONJSA-N 1 3 319.388 0.562 20 0 DCADHO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589963482 1166732203 /nfs/dbraw/zinc/73/22/03/1166732203.db2.gz MILSGPRWXKESPI-LLVKDONJSA-N 1 3 319.388 0.562 20 0 DCADHO C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001591219200 1167164244 /nfs/dbraw/zinc/16/42/44/1167164244.db2.gz UQGVKUKSUVZYQS-UHFFFAOYSA-N 1 3 304.398 0.843 20 0 DCADHO C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001591219200 1167164248 /nfs/dbraw/zinc/16/42/48/1167164248.db2.gz UQGVKUKSUVZYQS-UHFFFAOYSA-N 1 3 304.398 0.843 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)CC1 ZINC001646743015 1172504425 /nfs/dbraw/zinc/50/44/25/1172504425.db2.gz JDIYSZDVAOJBHU-GVDBMIGSSA-N 1 3 322.497 0.908 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)OCCNC3)CCCO1 ZINC001646758246 1172513784 /nfs/dbraw/zinc/51/37/84/1172513784.db2.gz WYPOFIHVTKCKRA-AWEZNQCLSA-N 1 3 305.378 0.358 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)c2[nH]nc3c2CNCC3)C[C@H]1C(F)(F)F ZINC001646787796 1172532928 /nfs/dbraw/zinc/53/29/28/1172532928.db2.gz CIWGMPOCPAEVJN-HTQZYQBOSA-N 1 3 303.288 0.017 20 0 DCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001646794398 1172536176 /nfs/dbraw/zinc/53/61/76/1172536176.db2.gz CTHVCHNGZXLABL-HWWQOWPSSA-N 1 3 305.426 0.747 20 0 DCADHO CCCN1CCCC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC001647246761 1172762078 /nfs/dbraw/zinc/76/20/78/1172762078.db2.gz OCWJCUOZJRQVPK-LSDHHAIUSA-N 1 3 324.469 0.829 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2(C[NH3+])CCOCC2)CN1C1CC1 ZINC001647567217 1172975272 /nfs/dbraw/zinc/97/52/72/1172975272.db2.gz XTZHZXIHIOPELM-CHWSQXEVSA-N 1 3 310.442 0.761 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)C2([S@](C)=O)CC[NH2+]CC2)CCN1C ZINC001649962657 1173343045 /nfs/dbraw/zinc/34/30/45/1173343045.db2.gz YLBOGSXLOFDKDR-ZNLKAECVSA-N 1 3 315.483 0.428 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001650341116 1173579519 /nfs/dbraw/zinc/57/95/19/1173579519.db2.gz KIJJZVKITBMEGN-XFJVYGCCSA-N 1 3 306.410 0.484 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001650341127 1173579807 /nfs/dbraw/zinc/57/98/07/1173579807.db2.gz KYPGDYHGCBZKQF-VYDXJSESSA-N 1 3 308.470 0.376 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCN3C)C2)cc1 ZINC001650379388 1173603063 /nfs/dbraw/zinc/60/30/63/1173603063.db2.gz NTGOKDOGTXXBAO-SJORKVTESA-N 1 3 316.449 0.589 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N(C)C ZINC001650390039 1173611640 /nfs/dbraw/zinc/61/16/40/1173611640.db2.gz KUIDYJFEAHBQSR-OWCLPIDISA-N 1 3 308.470 0.754 20 0 DCADHO CCO[C@@H](CNC(=O)[C@]1(COC)CCCCN1)C[NH+](C)C ZINC001650393824 1173615299 /nfs/dbraw/zinc/61/52/99/1173615299.db2.gz FOOHNTHMHJBUCF-DZGCQCFKSA-N 1 3 301.431 0.228 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(=O)NC ZINC001660614504 1174023443 /nfs/dbraw/zinc/02/34/43/1174023443.db2.gz XDRXJJYKTSWDNC-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO Cn1nccc1CCN1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001661034173 1174088771 /nfs/dbraw/zinc/08/87/71/1174088771.db2.gz AGCQFTKVSBHFPM-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001663066612 1174261126 /nfs/dbraw/zinc/26/11/26/1174261126.db2.gz KBEVPRNHYDRCQC-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001663066612 1174261132 /nfs/dbraw/zinc/26/11/32/1174261132.db2.gz KBEVPRNHYDRCQC-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[NH+]1CCC(CC(=O)NCCC[C@@H]2CCCN2CC(N)=O)CC1 ZINC001663110754 1174266390 /nfs/dbraw/zinc/26/63/90/1174266390.db2.gz VEDUQPKQHLGHOO-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001668213536 1174769160 /nfs/dbraw/zinc/76/91/60/1174769160.db2.gz BMDWDZYEXNIYSP-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CNCCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001668542189 1174806348 /nfs/dbraw/zinc/80/63/48/1174806348.db2.gz LVNSTFLMXFVLIT-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001669206790 1174910063 /nfs/dbraw/zinc/91/00/63/1174910063.db2.gz HOOHCKRJQKHYQG-XVWMLYKFSA-N 1 3 324.469 0.505 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001670345472 1175005126 /nfs/dbraw/zinc/00/51/26/1175005126.db2.gz VROLTCOJRCMGHY-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@H](NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1cnccn1 ZINC001670345165 1175005626 /nfs/dbraw/zinc/00/56/26/1175005626.db2.gz REZQVBOEOXXLNX-KBPBESRZSA-N 1 3 305.426 0.927 20 0 DCADHO C[C@H](NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1cnccn1 ZINC001670345165 1175005630 /nfs/dbraw/zinc/00/56/30/1175005630.db2.gz REZQVBOEOXXLNX-KBPBESRZSA-N 1 3 305.426 0.927 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNCCF)CC1 ZINC001674080630 1175251569 /nfs/dbraw/zinc/25/15/69/1175251569.db2.gz XUYGAYACIBKOBP-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(CNCCF)CC1 ZINC001674080630 1175251575 /nfs/dbraw/zinc/25/15/75/1175251575.db2.gz XUYGAYACIBKOBP-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN(CC)[C@@H]1CCNC1=O ZINC001689936483 1177118619 /nfs/dbraw/zinc/11/86/19/1177118619.db2.gz QXPXJBHETIUKIW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN(CC)[C@@H]1CCNC1=O ZINC001689936483 1177118620 /nfs/dbraw/zinc/11/86/20/1177118620.db2.gz QXPXJBHETIUKIW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)C(=O)NC ZINC001689942539 1177121184 /nfs/dbraw/zinc/12/11/84/1177121184.db2.gz JFGRBYWGQLQIJP-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001690242297 1177195944 /nfs/dbraw/zinc/19/59/44/1177195944.db2.gz XMIFEYBHNOARDL-YNEHKIRRSA-N 1 3 317.380 0.695 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)n1 ZINC001698861558 1177698437 /nfs/dbraw/zinc/69/84/37/1177698437.db2.gz PQRUWDOMVNUFPX-CYBMUJFWSA-N 1 3 324.473 0.672 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699146034 1177891208 /nfs/dbraw/zinc/89/12/08/1177891208.db2.gz HHDZFOZZKJFYRU-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001699146034 1177891217 /nfs/dbraw/zinc/89/12/17/1177891217.db2.gz HHDZFOZZKJFYRU-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001699280884 1178022883 /nfs/dbraw/zinc/02/28/83/1178022883.db2.gz ZTNZKJLIPXUTMV-WHJWBVKISA-N 1 3 324.469 0.503 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001699280884 1178022892 /nfs/dbraw/zinc/02/28/92/1178022892.db2.gz ZTNZKJLIPXUTMV-WHJWBVKISA-N 1 3 324.469 0.503 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCn2cccn2)C1 ZINC001699306866 1178050076 /nfs/dbraw/zinc/05/00/76/1178050076.db2.gz AJIORHCEVIWCJX-XYBNCVKDSA-N 1 3 305.426 0.487 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCOC)CCOCC1)N(C)C ZINC001699884111 1178330445 /nfs/dbraw/zinc/33/04/45/1178330445.db2.gz BNPNEWHNMKNQKV-ZDUSSCGKSA-N 1 3 301.431 0.228 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]C/C=C/Cl)CC1 ZINC001700300602 1178572335 /nfs/dbraw/zinc/57/23/35/1178572335.db2.gz GAOKMRVTXMJDTA-MXPWBENCSA-N 1 3 315.845 0.776 20 0 DCADHO CCOCC[NH+]1CCC(CO)(NC(=O)CN(C)C(C)C)CC1 ZINC001700342323 1178588282 /nfs/dbraw/zinc/58/82/82/1178588282.db2.gz ODWWYPCFNSGUGJ-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CCc2cnn(C)c2)C1 ZINC001700382324 1178604004 /nfs/dbraw/zinc/60/40/04/1178604004.db2.gz MDJWNNFVOGKAFF-UHFFFAOYSA-N 1 3 321.469 0.787 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001700617587 1178681934 /nfs/dbraw/zinc/68/19/34/1178681934.db2.gz SMSSTOMOJXGBDE-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO Cc1nc(CN[C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)n[nH]1 ZINC001700853102 1178779373 /nfs/dbraw/zinc/77/93/73/1178779373.db2.gz YTIDETMGOUYHDQ-JSGCOSHPSA-N 1 3 322.457 0.924 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001713355211 1180783218 /nfs/dbraw/zinc/78/32/18/1180783218.db2.gz IFTAAAFHIYWBRK-ZDUSSCGKSA-N 1 3 319.409 0.013 20 0 DCADHO O=C(C[NH+]1CCCC1)NC[C@@H]1CCCN1CCOCC(F)F ZINC001713519775 1180892969 /nfs/dbraw/zinc/89/29/69/1180892969.db2.gz HPVSGXBSIIYPED-ZDUSSCGKSA-N 1 3 319.396 0.945 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001713601338 1180957680 /nfs/dbraw/zinc/95/76/80/1180957680.db2.gz UAQIUIINVIWNOU-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001713601338 1180957687 /nfs/dbraw/zinc/95/76/87/1180957687.db2.gz UAQIUIINVIWNOU-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2cnnn2C)CCC1 ZINC001716545966 1182436095 /nfs/dbraw/zinc/43/60/95/1182436095.db2.gz BPYBHKXPCVUKRG-UHFFFAOYSA-N 1 3 308.430 0.238 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)Cc1c[nH]cn1 ZINC001716569691 1182447949 /nfs/dbraw/zinc/44/79/49/1182447949.db2.gz YAYAKTFAWCGQBU-CYBMUJFWSA-N 1 3 307.398 0.011 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001716788413 1182526499 /nfs/dbraw/zinc/52/64/99/1182526499.db2.gz HROCONTWDPCIDA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNCc2cccc(F)c2)C1 ZINC001717065714 1182663121 /nfs/dbraw/zinc/66/31/21/1182663121.db2.gz OLMSECDPAZIMHH-HNNXBMFYSA-N 1 3 323.412 0.688 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNCc2cccc(F)c2)C1 ZINC001717065714 1182663123 /nfs/dbraw/zinc/66/31/23/1182663123.db2.gz OLMSECDPAZIMHH-HNNXBMFYSA-N 1 3 323.412 0.688 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001717185526 1182717746 /nfs/dbraw/zinc/71/77/46/1182717746.db2.gz BZHQYQCEAYFLJP-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO CCn1nncc1CNCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001717694419 1182955138 /nfs/dbraw/zinc/95/51/38/1182955138.db2.gz LXFPRTNNZLIKSD-KBPBESRZSA-N 1 3 322.457 0.624 20 0 DCADHO CCn1nncc1CNCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717694419 1182955143 /nfs/dbraw/zinc/95/51/43/1182955143.db2.gz LXFPRTNNZLIKSD-KBPBESRZSA-N 1 3 322.457 0.624 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000167214268 1183480250 /nfs/dbraw/zinc/48/02/50/1183480250.db2.gz LSSPSWUKPIVHFB-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001720281646 1183547740 /nfs/dbraw/zinc/54/77/40/1183547740.db2.gz HQYGBRXUSWEQAC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001720281646 1183547744 /nfs/dbraw/zinc/54/77/44/1183547744.db2.gz HQYGBRXUSWEQAC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001720491827 1183628527 /nfs/dbraw/zinc/62/85/27/1183628527.db2.gz KDKKNEVSRBHXGE-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001720491827 1183628529 /nfs/dbraw/zinc/62/85/29/1183628529.db2.gz KDKKNEVSRBHXGE-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1ncc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)cn1 ZINC001723195308 1184274531 /nfs/dbraw/zinc/27/45/31/1184274531.db2.gz YVUWOVNORWZJHE-UHFFFAOYSA-N 1 3 305.426 0.819 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CCO ZINC001724584167 1184467150 /nfs/dbraw/zinc/46/71/50/1184467150.db2.gz HVGMULLBZNUMTM-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@H](C)N1CCCCCC1 ZINC001724682223 1184518243 /nfs/dbraw/zinc/51/82/43/1184518243.db2.gz SPUMJADMCLTQIK-GJZGRUSLSA-N 1 3 315.458 0.042 20 0 DCADHO C[C@H](O)CCC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001724725160 1184535543 /nfs/dbraw/zinc/53/55/43/1184535543.db2.gz ISJSLWPHVMOZQW-KBPBESRZSA-N 1 3 308.426 0.941 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC1CC1 ZINC001731911177 1185567948 /nfs/dbraw/zinc/56/79/48/1185567948.db2.gz IAQKGYNIQMWDFJ-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC1CC1 ZINC001731911177 1185567955 /nfs/dbraw/zinc/56/79/55/1185567955.db2.gz IAQKGYNIQMWDFJ-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]CCCF)N1CCCCC1 ZINC001732640326 1185888264 /nfs/dbraw/zinc/88/82/64/1185888264.db2.gz KTBFSSDOYNVCTH-CYBMUJFWSA-N 1 3 303.422 0.677 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732691472 1185922657 /nfs/dbraw/zinc/92/26/57/1185922657.db2.gz AFMLPOHADDVXSR-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732691470 1185922809 /nfs/dbraw/zinc/92/28/09/1185922809.db2.gz AFMLPOHADDVXSR-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](CC[NH2+]Cc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001732728964 1185938351 /nfs/dbraw/zinc/93/83/51/1185938351.db2.gz PMHFIYNJSQFVQA-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1CCCN1C ZINC001732768276 1185955690 /nfs/dbraw/zinc/95/56/90/1185955690.db2.gz WRDYVYNBTOMMTK-HNNXBMFYSA-N 1 3 307.442 0.495 20 0 DCADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001732935567 1186069080 /nfs/dbraw/zinc/06/90/80/1186069080.db2.gz LUOLMRMQCCPRRG-RSWBRANDSA-N 1 3 307.438 0.771 20 0 DCADHO CN1CCC[C@H](NC2(CNC(=O)CCCC[NH+](C)C)CC2)C1=O ZINC001733262859 1186205686 /nfs/dbraw/zinc/20/56/86/1186205686.db2.gz KKXQULMQULTBGD-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCOc2ccccc2)C1 ZINC001734385670 1186637023 /nfs/dbraw/zinc/63/70/23/1186637023.db2.gz UCOXQZWITZZYAY-HUUCEWRRSA-N 1 3 321.421 0.084 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCOc2ccccc2)C1 ZINC001734385670 1186637025 /nfs/dbraw/zinc/63/70/25/1186637025.db2.gz UCOXQZWITZZYAY-HUUCEWRRSA-N 1 3 321.421 0.084 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCNC(=O)CCC[NH+](C)C ZINC001736789990 1187106555 /nfs/dbraw/zinc/10/65/55/1187106555.db2.gz YAUFLRHVKBNWMY-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001742508015 1187996659 /nfs/dbraw/zinc/99/66/59/1187996659.db2.gz RGQMHOIMDGJPCI-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001742508015 1187996662 /nfs/dbraw/zinc/99/66/62/1187996662.db2.gz RGQMHOIMDGJPCI-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001752680390 1188432874 /nfs/dbraw/zinc/43/28/74/1188432874.db2.gz LERANMJKOVPRKN-JOCQHMNTSA-N 1 3 319.409 0.024 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001753029124 1188479900 /nfs/dbraw/zinc/47/99/00/1188479900.db2.gz VRBRPJRYVLWZGR-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001753029124 1188479910 /nfs/dbraw/zinc/47/99/10/1188479910.db2.gz VRBRPJRYVLWZGR-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001753260379 1188551891 /nfs/dbraw/zinc/55/18/91/1188551891.db2.gz JONMCOASFWXHEH-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001753260379 1188551901 /nfs/dbraw/zinc/55/19/01/1188551901.db2.gz JONMCOASFWXHEH-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001753359651 1188573243 /nfs/dbraw/zinc/57/32/43/1188573243.db2.gz ZRZSHLDHEQPOAX-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]CCn2cncn2)CCCC1)N(C)C ZINC001753506321 1188611691 /nfs/dbraw/zinc/61/16/91/1188611691.db2.gz WNFIFUSXUSPUIH-CQSZACIVSA-N 1 3 322.457 0.637 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753926374 1188685179 /nfs/dbraw/zinc/68/51/79/1188685179.db2.gz SROKHFIXQARVHS-GJZGRUSLSA-N 1 3 315.433 0.820 20 0 DCADHO O=C(NC[C@@H](O)CNCCF)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753926374 1188685181 /nfs/dbraw/zinc/68/51/81/1188685181.db2.gz SROKHFIXQARVHS-GJZGRUSLSA-N 1 3 315.433 0.820 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001754007397 1188709413 /nfs/dbraw/zinc/70/94/13/1188709413.db2.gz LUTATCINYLJPKQ-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001754079653 1188730383 /nfs/dbraw/zinc/73/03/83/1188730383.db2.gz GPZRUZKKZNAUIZ-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001754079653 1188730385 /nfs/dbraw/zinc/73/03/85/1188730385.db2.gz GPZRUZKKZNAUIZ-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H](CN(C)CCOCCO)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315571 1188818286 /nfs/dbraw/zinc/81/82/86/1188818286.db2.gz WNMZHVUDGAYBEF-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCOCCO ZINC001754467427 1188858428 /nfs/dbraw/zinc/85/84/28/1188858428.db2.gz NMMVKUYLQXBMLZ-DZGCQCFKSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@H](C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)CN(C)C ZINC000314046746 1190398800 /nfs/dbraw/zinc/39/88/00/1190398800.db2.gz STMWTIZQTMYMRN-DOMZBBRYSA-N 1 3 314.451 0.911 20 0 DCADHO Cn1cc([C@@H]2C[C@H](NC[C@@H](O)C[NH+]3CCCC3)CCO2)cn1 ZINC001772056349 1190601019 /nfs/dbraw/zinc/60/10/19/1190601019.db2.gz YMQFHBUJTHUKGZ-OAGGEKHMSA-N 1 3 308.426 0.687 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001772308779 1190659423 /nfs/dbraw/zinc/65/94/23/1190659423.db2.gz PUEIVEMYBULRFF-FQLMCAECSA-N 1 3 324.469 0.275 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001772430925 1190680373 /nfs/dbraw/zinc/68/03/73/1190680373.db2.gz DENLSKDEIPUOPL-OAGGEKHMSA-N 1 3 324.469 0.711 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001772430925 1190680374 /nfs/dbraw/zinc/68/03/74/1190680374.db2.gz DENLSKDEIPUOPL-OAGGEKHMSA-N 1 3 324.469 0.711 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](NCc1cn[nH]n1)C1CC1)[NH+](C)C ZINC001575440733 1164016040 /nfs/dbraw/zinc/01/60/40/1164016040.db2.gz AEIYTCVTPWFNDG-KGLIPLIRSA-N 1 3 308.430 0.375 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001127481175 751416830 /nfs/dbraw/zinc/41/68/30/751416830.db2.gz QMXAOTJVIWGLDV-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCO)CC[N@@H+]1C ZINC001089643279 751502104 /nfs/dbraw/zinc/50/21/04/751502104.db2.gz VAUGTULNPUCLFO-QLFBSQMISA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2CCO)CC[N@H+]1C ZINC001089643279 751502111 /nfs/dbraw/zinc/50/21/11/751502111.db2.gz VAUGTULNPUCLFO-QLFBSQMISA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001127643584 751601845 /nfs/dbraw/zinc/60/18/45/751601845.db2.gz BRRVWIGZIIHQRA-MCIONIFRSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001127643584 751601849 /nfs/dbraw/zinc/60/18/49/751601849.db2.gz BRRVWIGZIIHQRA-MCIONIFRSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001127690195 751637762 /nfs/dbraw/zinc/63/77/62/751637762.db2.gz GTGLHFJFIOSNBO-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001127690195 751637767 /nfs/dbraw/zinc/63/77/67/751637767.db2.gz GTGLHFJFIOSNBO-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001107035874 751782585 /nfs/dbraw/zinc/78/25/85/751782585.db2.gz CNEUTVPDYGECIC-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001167232892 747032000 /nfs/dbraw/zinc/03/20/00/747032000.db2.gz TUQYDCOOPWBMFW-STQMWFEESA-N 1 3 310.442 0.078 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@H](C)C(=O)NC)C1 ZINC001100460298 747098467 /nfs/dbraw/zinc/09/84/67/747098467.db2.gz ZAMYWILXNHLIPW-PNESKVBLSA-N 1 3 312.458 0.336 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001167480464 747276827 /nfs/dbraw/zinc/27/68/27/747276827.db2.gz GPVGFBLDWRLWAM-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO O=C(N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249774 747425254 /nfs/dbraw/zinc/42/52/54/747425254.db2.gz VZOVGYVCEPLEAP-JKSUJKDBSA-N 1 3 319.449 0.794 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001114991607 747427958 /nfs/dbraw/zinc/42/79/58/747427958.db2.gz GDDJCZMOCDUVTR-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001114991607 747427960 /nfs/dbraw/zinc/42/79/60/747427960.db2.gz GDDJCZMOCDUVTR-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001167635204 747439964 /nfs/dbraw/zinc/43/99/64/747439964.db2.gz LGENULWUGDZTAU-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001087257314 747554067 /nfs/dbraw/zinc/55/40/67/747554067.db2.gz LWOVFDDTXCLUHU-ZYHUDNBSSA-N 1 3 307.398 0.248 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001087257314 747554074 /nfs/dbraw/zinc/55/40/74/747554074.db2.gz LWOVFDDTXCLUHU-ZYHUDNBSSA-N 1 3 307.398 0.248 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100674577 747589568 /nfs/dbraw/zinc/58/95/68/747589568.db2.gz ZCMJUOWVTSVIIJ-WLYUNCDWSA-N 1 3 322.453 0.187 20 0 DCADHO CCCCCNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320578 748130782 /nfs/dbraw/zinc/13/07/82/748130782.db2.gz BRNMDPPKYPHLMA-UHFFFAOYSA-N 1 3 322.457 0.893 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326926 748136669 /nfs/dbraw/zinc/13/66/69/748136669.db2.gz LXCWYRMGPVBZRE-CYBMUJFWSA-N 1 3 320.441 0.645 20 0 DCADHO CCCNCc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326926 748136673 /nfs/dbraw/zinc/13/66/73/748136673.db2.gz LXCWYRMGPVBZRE-CYBMUJFWSA-N 1 3 320.441 0.645 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)CCC1 ZINC001087992148 749179276 /nfs/dbraw/zinc/17/92/76/749179276.db2.gz GDBXIULBXFWHGJ-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)CCC1 ZINC001087992148 749179281 /nfs/dbraw/zinc/17/92/81/749179281.db2.gz GDBXIULBXFWHGJ-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCO)CC[C@@H]3C2)C1 ZINC001088106798 749241630 /nfs/dbraw/zinc/24/16/30/749241630.db2.gz RFCXNPBSQLGIRC-XHSDSOJGSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)C1 ZINC001088106798 749241635 /nfs/dbraw/zinc/24/16/35/749241635.db2.gz RFCXNPBSQLGIRC-XHSDSOJGSA-N 1 3 309.454 0.491 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)CC1 ZINC001088150729 749259049 /nfs/dbraw/zinc/25/90/49/749259049.db2.gz STQPRKLOEDFKKU-CVEARBPZSA-N 1 3 309.454 0.491 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCO)CC[C@@H]3C2)CC1 ZINC001088150729 749259052 /nfs/dbraw/zinc/25/90/52/749259052.db2.gz STQPRKLOEDFKKU-CVEARBPZSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCn3cccn3)[C@@H]2C)CC[N@@H+]1C ZINC001088577925 749701295 /nfs/dbraw/zinc/70/12/95/749701295.db2.gz WVEBVUDXXDYEED-FPCVCCKLSA-N 1 3 319.453 0.802 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCn3cccn3)[C@@H]2C)CC[N@H+]1C ZINC001088577925 749701298 /nfs/dbraw/zinc/70/12/98/749701298.db2.gz WVEBVUDXXDYEED-FPCVCCKLSA-N 1 3 319.453 0.802 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CN1CCO ZINC001071599954 761984074 /nfs/dbraw/zinc/98/40/74/761984074.db2.gz BXYKRBBOFMYBJX-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128055 750214821 /nfs/dbraw/zinc/21/48/21/750214821.db2.gz VOGMVIMRCMUCAL-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077128055 750214829 /nfs/dbraw/zinc/21/48/29/750214829.db2.gz VOGMVIMRCMUCAL-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO CN(C)C1(C(=O)NC2CC3(C2)CC([NH2+]CCCO)C3)CCC1 ZINC001121237659 750879560 /nfs/dbraw/zinc/87/95/60/750879560.db2.gz ABXQPPFMIZHTAA-UHFFFAOYSA-N 1 3 309.454 0.870 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083719466 751031924 /nfs/dbraw/zinc/03/19/24/751031924.db2.gz FBUNSVRDZXTXCH-XHSDSOJGSA-N 1 3 309.454 0.680 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083719466 751031930 /nfs/dbraw/zinc/03/19/30/751031930.db2.gz FBUNSVRDZXTXCH-XHSDSOJGSA-N 1 3 309.454 0.680 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1)N(C)C ZINC001106673133 751224204 /nfs/dbraw/zinc/22/42/04/751224204.db2.gz DKADCQYGJGDQRG-NFAWXSAZSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106729238 751250582 /nfs/dbraw/zinc/25/05/82/751250582.db2.gz NRXRRBQSOFBKSL-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+][C@@H](CC)C(N)=O ZINC001168607576 752678969 /nfs/dbraw/zinc/67/89/69/752678969.db2.gz WPLQFIVEYUQCRR-AWEZNQCLSA-N 1 3 314.474 0.858 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccnn2C)CC[N@@H+]1C ZINC001045043485 753019057 /nfs/dbraw/zinc/01/90/57/753019057.db2.gz GHECTNZRJZEXKI-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccnn2C)CC[N@H+]1C ZINC001045043485 753019062 /nfs/dbraw/zinc/01/90/62/753019062.db2.gz GHECTNZRJZEXKI-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078228061 753123767 /nfs/dbraw/zinc/12/37/67/753123767.db2.gz AZXUMOYUWAWHGC-HZPDHXFCSA-N 1 3 305.422 0.932 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001045311224 753140938 /nfs/dbraw/zinc/14/09/38/753140938.db2.gz HVHDEZAPXDSVSC-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CCC[C@@H]1C)NC(=O)[C@H]1CCCN1C ZINC001078467724 753263659 /nfs/dbraw/zinc/26/36/59/753263659.db2.gz MDZHPYNMVYTLGI-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CCC[C@@H]1C)NC(=O)[C@H]1CCCN1C ZINC001078467724 753263665 /nfs/dbraw/zinc/26/36/65/753263665.db2.gz MDZHPYNMVYTLGI-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC001046038079 753441541 /nfs/dbraw/zinc/44/15/41/753441541.db2.gz HCYMLOCKBYEWJJ-JKSUJKDBSA-N 1 3 310.486 0.954 20 0 DCADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@H+](C(C)C)C2)CC1)N(C)C ZINC001046038079 753441544 /nfs/dbraw/zinc/44/15/44/753441544.db2.gz HCYMLOCKBYEWJJ-JKSUJKDBSA-N 1 3 310.486 0.954 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066628 753460122 /nfs/dbraw/zinc/46/01/22/753460122.db2.gz OFEMPGJIZURNFQ-MRXNPFEDSA-N 1 3 319.453 0.827 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046066628 753460125 /nfs/dbraw/zinc/46/01/25/753460125.db2.gz OFEMPGJIZURNFQ-MRXNPFEDSA-N 1 3 319.453 0.827 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCCO)CCC2(F)F)C1 ZINC001046992800 754058966 /nfs/dbraw/zinc/05/89/66/754058966.db2.gz CYHZLMTXGFLDDO-QWHCGFSZSA-N 1 3 319.396 0.394 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN(CCCO)CCC2(F)F)C1 ZINC001046992800 754058972 /nfs/dbraw/zinc/05/89/72/754058972.db2.gz CYHZLMTXGFLDDO-QWHCGFSZSA-N 1 3 319.396 0.394 20 0 DCADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407432 754254923 /nfs/dbraw/zinc/25/49/23/754254923.db2.gz HARCPIJKQJQDRJ-PMPSAXMXSA-N 1 3 311.470 0.878 20 0 DCADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047407432 754254925 /nfs/dbraw/zinc/25/49/25/754254925.db2.gz HARCPIJKQJQDRJ-PMPSAXMXSA-N 1 3 311.470 0.878 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(CC)CC ZINC001128774420 754267832 /nfs/dbraw/zinc/26/78/32/754267832.db2.gz SKROSZGCLSRDLZ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(CC)CC ZINC001128774420 754267835 /nfs/dbraw/zinc/26/78/35/754267835.db2.gz SKROSZGCLSRDLZ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCn1nc(C)nc1C ZINC001168754839 754380791 /nfs/dbraw/zinc/38/07/91/754380791.db2.gz CMMNQNPOPNONED-UHFFFAOYSA-N 1 3 310.446 0.333 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219601 754570551 /nfs/dbraw/zinc/57/05/51/754570551.db2.gz HJYBVYHQIAIBOE-KGLIPLIRSA-N 1 3 308.430 0.227 20 0 DCADHO C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066733 754598721 /nfs/dbraw/zinc/59/87/21/754598721.db2.gz PHIBGEJZDBHLAO-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001168762499 754907383 /nfs/dbraw/zinc/90/73/83/754907383.db2.gz DDQBSXSVZGXXLN-OAHLLOKOSA-N 1 3 315.458 0.620 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1)N(C)C ZINC001048887860 754998954 /nfs/dbraw/zinc/99/89/54/754998954.db2.gz HGHCVRMYIBBULL-BYNSBNAKSA-N 1 3 324.469 0.194 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1)N(C)C ZINC001048887860 754998956 /nfs/dbraw/zinc/99/89/56/754998956.db2.gz HGHCVRMYIBBULL-BYNSBNAKSA-N 1 3 324.469 0.194 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763110 755098952 /nfs/dbraw/zinc/09/89/52/755098952.db2.gz KBKJKENMDXCSHR-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001063346856 755156151 /nfs/dbraw/zinc/15/61/51/755156151.db2.gz WPLAQORCWQSTGJ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001063346856 755156154 /nfs/dbraw/zinc/15/61/54/755156154.db2.gz WPLAQORCWQSTGJ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H](C1CC1)[NH+]1CCCC1 ZINC001097581265 755682905 /nfs/dbraw/zinc/68/29/05/755682905.db2.gz VGHACBIAZZZOQS-NCOADZHNSA-N 1 3 321.465 0.965 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001054296478 756426414 /nfs/dbraw/zinc/42/64/14/756426414.db2.gz OKCAQAAJWUOVFG-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001054296479 756426633 /nfs/dbraw/zinc/42/66/33/756426633.db2.gz OKCAQAAJWUOVFG-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001054734830 756620711 /nfs/dbraw/zinc/62/07/11/756620711.db2.gz GPLVOGQSCMTBJM-HUUCEWRRSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC001054734834 756621331 /nfs/dbraw/zinc/62/13/31/756621331.db2.gz GPLVOGQSCMTBJM-LSDHHAIUSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1NCC(N)=O ZINC001054827723 756648651 /nfs/dbraw/zinc/64/86/51/756648651.db2.gz XUHSNUMEGKEKDR-OCCSQVGLSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1NCC(N)=O ZINC001054827723 756648653 /nfs/dbraw/zinc/64/86/53/756648653.db2.gz XUHSNUMEGKEKDR-OCCSQVGLSA-N 1 3 324.469 0.561 20 0 DCADHO COCCN1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082271541 756990551 /nfs/dbraw/zinc/99/05/51/756990551.db2.gz GPWOWYSMLFTWPK-HUUCEWRRSA-N 1 3 313.442 0.180 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001082448168 757136078 /nfs/dbraw/zinc/13/60/78/757136078.db2.gz GRORLFPTIXMKOT-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cnn(C)c1 ZINC001082920088 757326611 /nfs/dbraw/zinc/32/66/11/757326611.db2.gz PVWFGKSKVHXZET-VHDGCEQUSA-N 1 3 305.426 0.308 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cnn(C)c1 ZINC001082920088 757326623 /nfs/dbraw/zinc/32/66/23/757326623.db2.gz PVWFGKSKVHXZET-VHDGCEQUSA-N 1 3 305.426 0.308 20 0 DCADHO CN(CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001050221602 757502781 /nfs/dbraw/zinc/50/27/81/757502781.db2.gz HVFZYDBFTXEOOY-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)N(C)C[C@H]2C[NH2+]CCO2)c(C)c1 ZINC001157716729 762607349 /nfs/dbraw/zinc/60/73/49/762607349.db2.gz RCZDOGYMHAMUNZ-CVEARBPZSA-N 1 3 305.422 0.620 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)N1CCCC1 ZINC001085295670 758803886 /nfs/dbraw/zinc/80/38/86/758803886.db2.gz SDQBHQMSIBCUHE-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001051847816 758986578 /nfs/dbraw/zinc/98/65/78/758986578.db2.gz BNBNRKYWWXEOFR-HIFRSBDPSA-N 1 3 322.409 0.196 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099986330 759110480 /nfs/dbraw/zinc/11/04/80/759110480.db2.gz JADBYLSPUNYTHI-HZPDHXFCSA-N 1 3 305.422 0.690 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107599 759184060 /nfs/dbraw/zinc/18/40/60/759184060.db2.gz GKPHIIIFDLTFIP-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107599 759184065 /nfs/dbraw/zinc/18/40/65/759184065.db2.gz GKPHIIIFDLTFIP-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052117384 759189356 /nfs/dbraw/zinc/18/93/56/759189356.db2.gz LVQDZJIAYKYLIA-SJORKVTESA-N 1 3 320.481 0.567 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052117384 759189360 /nfs/dbraw/zinc/18/93/60/759189360.db2.gz LVQDZJIAYKYLIA-SJORKVTESA-N 1 3 320.481 0.567 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878463 767873246 /nfs/dbraw/zinc/87/32/46/767873246.db2.gz ZKIBFLUXKZHMQA-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878463 767873254 /nfs/dbraw/zinc/87/32/54/767873254.db2.gz ZKIBFLUXKZHMQA-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900285 767879427 /nfs/dbraw/zinc/87/94/27/767879427.db2.gz LMDUBRIYGOBWOW-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900285 767879438 /nfs/dbraw/zinc/87/94/38/767879438.db2.gz LMDUBRIYGOBWOW-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900871 767879722 /nfs/dbraw/zinc/87/97/22/767879722.db2.gz XNBFBUYCXNGUSP-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900871 767879730 /nfs/dbraw/zinc/87/97/30/767879730.db2.gz XNBFBUYCXNGUSP-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001086216875 759856898 /nfs/dbraw/zinc/85/68/98/759856898.db2.gz DQRJWTFLHJKCGD-MJBXVCDLSA-N 1 3 310.442 0.219 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086271979 759932780 /nfs/dbraw/zinc/93/27/80/759932780.db2.gz QILNAZTXOBJPPQ-SOUVJXGZSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086271979 759932785 /nfs/dbraw/zinc/93/27/85/759932785.db2.gz QILNAZTXOBJPPQ-SOUVJXGZSA-N 1 3 317.437 0.721 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329520 760044254 /nfs/dbraw/zinc/04/42/54/760044254.db2.gz XRHFFKSCMRIIEP-CQSZACIVSA-N 1 3 312.458 0.196 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329520 760044266 /nfs/dbraw/zinc/04/42/66/760044266.db2.gz XRHFFKSCMRIIEP-CQSZACIVSA-N 1 3 312.458 0.196 20 0 DCADHO O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086432275 760182391 /nfs/dbraw/zinc/18/23/91/760182391.db2.gz PWNWHZJROHIHTE-LCEPCISISA-N 1 3 311.401 0.304 20 0 DCADHO COCCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148352026 767968071 /nfs/dbraw/zinc/96/80/71/767968071.db2.gz YAQUOFBGQXWIAJ-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO COCCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001148352026 767968078 /nfs/dbraw/zinc/96/80/78/767968078.db2.gz YAQUOFBGQXWIAJ-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001148359976 767972833 /nfs/dbraw/zinc/97/28/33/767972833.db2.gz INFYORZMGFIMDY-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)C2(N(C)C)CCC2)n1 ZINC001129357464 761001636 /nfs/dbraw/zinc/00/16/36/761001636.db2.gz LZARYUAYVKHPPT-UHFFFAOYSA-N 1 3 308.430 0.085 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)C2(N(C)C)CCC2)n1 ZINC001129358968 761014244 /nfs/dbraw/zinc/01/42/44/761014244.db2.gz ZVOWXWVHJXQBEL-UHFFFAOYSA-N 1 3 309.414 0.501 20 0 DCADHO Cc1nnc(CN[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC[NH+](C)C)C3)[nH]1 ZINC001108756998 761037523 /nfs/dbraw/zinc/03/75/23/761037523.db2.gz AYKFSNYKAPTRLI-MJBXVCDLSA-N 1 3 320.441 0.534 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364824 761055065 /nfs/dbraw/zinc/05/50/65/761055065.db2.gz ZNJPECACZXUEOZ-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001148571162 768008432 /nfs/dbraw/zinc/00/84/32/768008432.db2.gz YMWNCLHPQLNWJP-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001148571162 768008440 /nfs/dbraw/zinc/00/84/40/768008440.db2.gz YMWNCLHPQLNWJP-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001148655549 768025434 /nfs/dbraw/zinc/02/54/34/768025434.db2.gz OGQYWIBRWMBEGL-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001070719257 761412881 /nfs/dbraw/zinc/41/28/81/761412881.db2.gz VZAWRIONQMEWML-ZIAGYGMSSA-N 1 3 305.426 0.420 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1cncn1C ZINC001129409982 762931055 /nfs/dbraw/zinc/93/10/55/762931055.db2.gz AADQKXHPWUBTFB-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1cncn1C ZINC001129409982 762931060 /nfs/dbraw/zinc/93/10/60/762931060.db2.gz AADQKXHPWUBTFB-AWEZNQCLSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001129422096 762933887 /nfs/dbraw/zinc/93/38/87/762933887.db2.gz FMDDRQZOGDGMBS-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001129422096 762933893 /nfs/dbraw/zinc/93/38/93/762933893.db2.gz FMDDRQZOGDGMBS-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001129423688 762935117 /nfs/dbraw/zinc/93/51/17/762935117.db2.gz WGEDOGJTSYZBJG-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001129423688 762935121 /nfs/dbraw/zinc/93/51/21/762935121.db2.gz WGEDOGJTSYZBJG-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NCC(C)(C)C)C1CC1 ZINC001129442522 762944911 /nfs/dbraw/zinc/94/49/11/762944911.db2.gz BXICIFODNANVHH-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCCCCn1cncn1)C1CC1 ZINC001129443777 762945139 /nfs/dbraw/zinc/94/51/39/762945139.db2.gz NCIOEVYPHKJCPG-OAHLLOKOSA-N 1 3 322.457 0.494 20 0 DCADHO CN(CC(=O)NCC[NH2+]Cc1ccc(CO)cc1)C1CCC1 ZINC001129532363 762954590 /nfs/dbraw/zinc/95/45/90/762954590.db2.gz ZCMWKTFNRFIMHC-UHFFFAOYSA-N 1 3 305.422 0.869 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)NC(C)(C)C ZINC001129535386 762961837 /nfs/dbraw/zinc/96/18/37/762961837.db2.gz PNIXTOWJNCRYHI-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)N1CCCCC1 ZINC001129535412 762961876 /nfs/dbraw/zinc/96/18/76/762961876.db2.gz QBFCHJYGUVCUFS-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COc1ncc(CNCCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)n1 ZINC001129947361 763065295 /nfs/dbraw/zinc/06/52/95/763065295.db2.gz WVVWBBYFDMOWHW-AWEZNQCLSA-N 1 3 323.441 0.586 20 0 DCADHO C[C@]1(CO)CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157900463 763079498 /nfs/dbraw/zinc/07/94/98/763079498.db2.gz JRISKKSFWSUQGV-HOCLYGCPSA-N 1 3 309.454 0.872 20 0 DCADHO C[C@]1(CO)CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157900463 763079501 /nfs/dbraw/zinc/07/95/01/763079501.db2.gz JRISKKSFWSUQGV-HOCLYGCPSA-N 1 3 309.454 0.872 20 0 DCADHO CCOCCN1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099893927 763105361 /nfs/dbraw/zinc/10/53/61/763105361.db2.gz BASIMUVAYBGDSE-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099893927 763105366 /nfs/dbraw/zinc/10/53/66/763105366.db2.gz BASIMUVAYBGDSE-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1)N(C)C ZINC001130200209 763183635 /nfs/dbraw/zinc/18/36/35/763183635.db2.gz GDERWULXVRPDNA-HUUCEWRRSA-N 1 3 311.401 0.905 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC)C1CC1 ZINC001130422151 763296636 /nfs/dbraw/zinc/29/66/36/763296636.db2.gz YFFOSAMVFOFICC-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC)C1CC1 ZINC001130422151 763296639 /nfs/dbraw/zinc/29/66/39/763296639.db2.gz YFFOSAMVFOFICC-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001130427334 763297868 /nfs/dbraw/zinc/29/78/68/763297868.db2.gz LXTAAJROKVULGS-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001130427334 763297879 /nfs/dbraw/zinc/29/78/79/763297879.db2.gz LXTAAJROKVULGS-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CCC(=O)NCCNCc1cnn(C)c1)c1cc[nH+]cc1 ZINC001130556540 763382049 /nfs/dbraw/zinc/38/20/49/763382049.db2.gz MGQIUKUCYABSDB-UHFFFAOYSA-N 1 3 316.409 0.547 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100408146 763557274 /nfs/dbraw/zinc/55/72/74/763557274.db2.gz WOQISQCPWSERIK-PXCJXSSVSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H]([NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001100411795 763561827 /nfs/dbraw/zinc/56/18/27/763561827.db2.gz TVTNAOFHSNAFKJ-ORHYLEIMSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H](Nc1cncc(N2CCC([NH3+])CC2)n1)[C@@H]1CNCCO1 ZINC001170563291 763832557 /nfs/dbraw/zinc/83/25/57/763832557.db2.gz LEBGZHWKTOQQHY-AAEUAGOBSA-N 1 3 306.414 0.193 20 0 DCADHO C[C@H](Nc1ccc(O[C@@H]2CCC[NH2+]C2)nn1)[C@@H]1CNCCO1 ZINC001170572318 763877091 /nfs/dbraw/zinc/87/70/91/763877091.db2.gz QMWLQBRBNXHLEB-XQQFMLRXSA-N 1 3 307.398 0.396 20 0 DCADHO C[C@H](Nc1ccc2nc([C@H]3CC[NH2+]C3)nn2c1)[C@@H]1CNCCO1 ZINC001170576490 763927415 /nfs/dbraw/zinc/92/74/15/763927415.db2.gz VQLJYUQZKOXTPW-OBJOEFQTSA-N 1 3 316.409 0.595 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001101037438 763932093 /nfs/dbraw/zinc/93/20/93/763932093.db2.gz MZKHFTZZNITVPQ-JXQTWKCFSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CCN(CCCO)C2)O1 ZINC001131682588 763935279 /nfs/dbraw/zinc/93/52/79/763935279.db2.gz QQLIQUDYJNWXHH-ZBFHGGJFSA-N 1 3 313.442 0.012 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799267 764035771 /nfs/dbraw/zinc/03/57/71/764035771.db2.gz KTUALDTYGDOXKF-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[N@H+](CCC(=O)NCCNCC(=O)NC1CC1)C1CCCCC1 ZINC001131815773 764052226 /nfs/dbraw/zinc/05/22/26/764052226.db2.gz SVOBYUATLWZUEK-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO C[N@@H+](CCC(=O)NCCNCC(=O)NC1CC1)C1CCCCC1 ZINC001131815773 764052231 /nfs/dbraw/zinc/05/22/31/764052231.db2.gz SVOBYUATLWZUEK-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)CN1CCOCCO ZINC001132269302 764346579 /nfs/dbraw/zinc/34/65/79/764346579.db2.gz IKTJHVNSVABNRM-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO COCCOCCN1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132273562 764355350 /nfs/dbraw/zinc/35/53/50/764355350.db2.gz HCFQDNGPAZXGOC-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475534 764657270 /nfs/dbraw/zinc/65/72/70/764657270.db2.gz SAUOUQBCWJXQGU-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C1 ZINC001102475534 764657274 /nfs/dbraw/zinc/65/72/74/764657274.db2.gz SAUOUQBCWJXQGU-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888309 764710245 /nfs/dbraw/zinc/71/02/45/764710245.db2.gz MBWKCGGQFXMCMX-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040093 764798140 /nfs/dbraw/zinc/79/81/40/764798140.db2.gz APGSQIJTFANVPO-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040214 764798217 /nfs/dbraw/zinc/79/82/17/764798217.db2.gz GQWPWQYHWANISB-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051868 764802478 /nfs/dbraw/zinc/80/24/78/764802478.db2.gz SJUKCDJNHNWPSX-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051396 764802676 /nfs/dbraw/zinc/80/26/76/764802676.db2.gz FOMTUULQIOGHMW-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001133091725 764823667 /nfs/dbraw/zinc/82/36/67/764823667.db2.gz UVVJLIBSHIRFOZ-UONOGXRCSA-N 1 3 322.457 0.341 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@H](C[NH2+]CCO)C2)CC1 ZINC001133195023 764869655 /nfs/dbraw/zinc/86/96/55/764869655.db2.gz OCFYWLRJMACBHB-JKSUJKDBSA-N 1 3 311.470 0.785 20 0 DCADHO C[C@@H](C1CC1)N(C(=O)CNCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001133291207 764908487 /nfs/dbraw/zinc/90/84/87/764908487.db2.gz LNDUTPZWLJASDQ-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1)N(C)C ZINC001133419524 764958248 /nfs/dbraw/zinc/95/82/48/764958248.db2.gz QXAYYONBQRNLKK-IAGOWNOFSA-N 1 3 321.465 0.882 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCN1CCCC1=O)N(C)C ZINC001133434443 764968248 /nfs/dbraw/zinc/96/82/48/764968248.db2.gz QUUKBHOBPGFDON-OAHLLOKOSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)NC(C)C)[NH+](CC)CC ZINC001133684971 765092329 /nfs/dbraw/zinc/09/23/29/765092329.db2.gz ODMFLHWYZXGWGR-ZDUSSCGKSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)NCC1CC1)[NH+](CC)CC ZINC001133684754 765092361 /nfs/dbraw/zinc/09/23/61/765092361.db2.gz MPFIYBOYLXQASU-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001103612639 765093844 /nfs/dbraw/zinc/09/38/44/765093844.db2.gz NFMWNRDDNRTFAE-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001103612639 765093849 /nfs/dbraw/zinc/09/38/49/765093849.db2.gz NFMWNRDDNRTFAE-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001133823720 765155289 /nfs/dbraw/zinc/15/52/89/765155289.db2.gz MQIONBQVDAAGEP-CABCVRRESA-N 1 3 313.442 0.372 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133866544 765191732 /nfs/dbraw/zinc/19/17/32/765191732.db2.gz MSQQCAJVFVFOIK-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133866544 765191735 /nfs/dbraw/zinc/19/17/35/765191735.db2.gz MSQQCAJVFVFOIK-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C(N)C(F)(F)F)C1 ZINC001159134739 765458835 /nfs/dbraw/zinc/45/88/35/765458835.db2.gz OWRQPPONGMQBHW-ONGXEEELSA-N 1 3 319.331 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112212023 765474377 /nfs/dbraw/zinc/47/43/77/765474377.db2.gz JBYGPFBUGYKTFG-GHMZBOCLSA-N 1 3 311.348 0.298 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21 ZINC001114997947 765548237 /nfs/dbraw/zinc/54/82/37/765548237.db2.gz OAROUHRWZKGSEK-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21 ZINC001114997947 765548241 /nfs/dbraw/zinc/54/82/41/765548241.db2.gz OAROUHRWZKGSEK-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001134584604 765580583 /nfs/dbraw/zinc/58/05/83/765580583.db2.gz VMVUQRPWESWNBS-QWHCGFSZSA-N 1 3 322.457 0.672 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001134762976 765657946 /nfs/dbraw/zinc/65/79/46/765657946.db2.gz JIXXMPHFYKZMFI-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001134762976 765657951 /nfs/dbraw/zinc/65/79/51/765657951.db2.gz JIXXMPHFYKZMFI-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCCCC1 ZINC001134757392 765669576 /nfs/dbraw/zinc/66/95/76/765669576.db2.gz OQLMABKDPWIZHL-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780489 765671186 /nfs/dbraw/zinc/67/11/86/765671186.db2.gz JBKMYOUIBKUQHO-UHFFFAOYSA-N 1 3 307.442 0.666 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170772791 765678202 /nfs/dbraw/zinc/67/82/02/765678202.db2.gz DQBNRVLUJDSIRF-GWCFXTLKSA-N 1 3 321.425 0.517 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CC(N)=O)CCCCC1)C1CCC1 ZINC001115574618 765760394 /nfs/dbraw/zinc/76/03/94/765760394.db2.gz GXBTWVNZNANZBL-UHFFFAOYSA-N 1 3 310.442 0.365 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095761 765796086 /nfs/dbraw/zinc/79/60/86/765796086.db2.gz PYRNXSDXTMZAFW-JKSUJKDBSA-N 1 3 319.453 0.951 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095761 765796094 /nfs/dbraw/zinc/79/60/94/765796094.db2.gz PYRNXSDXTMZAFW-JKSUJKDBSA-N 1 3 319.453 0.951 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135476172 765950051 /nfs/dbraw/zinc/95/00/51/765950051.db2.gz ITPIBHRPYDOZOP-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO Cc1cncc(CNCCNC(=O)COC2CC[NH+](C)CC2)c1 ZINC001135958763 766191630 /nfs/dbraw/zinc/19/16/30/766191630.db2.gz FGVAAUCVOIUDFF-UHFFFAOYSA-N 1 3 320.437 0.707 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001135977165 766197611 /nfs/dbraw/zinc/19/76/11/766197611.db2.gz QGPGTIVMIIRNQK-KBPBESRZSA-N 1 3 314.474 0.726 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135976464 766197920 /nfs/dbraw/zinc/19/79/20/766197920.db2.gz JXVKMOPTYHFLJP-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090705280 766502876 /nfs/dbraw/zinc/50/28/76/766502876.db2.gz CMRHBKOAKNIZAV-JKSUJKDBSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@H](O)C[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359800 766557814 /nfs/dbraw/zinc/55/78/14/766557814.db2.gz BCPHGPAMBCXDDJ-AWEZNQCLSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359800 766557821 /nfs/dbraw/zinc/55/78/21/766557821.db2.gz BCPHGPAMBCXDDJ-AWEZNQCLSA-N 1 3 309.454 0.990 20 0 DCADHO C[NH2+]CCOc1cccc(C(=O)N2CCOC3(CNC3)C2)c1 ZINC001119298433 766628663 /nfs/dbraw/zinc/62/86/63/766628663.db2.gz BELORADMTRKICD-UHFFFAOYSA-N 1 3 305.378 0.099 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(CCC(F)(F)F)C[C@@H]1O ZINC001090818254 766632611 /nfs/dbraw/zinc/63/26/11/766632611.db2.gz UMKHRTUAAVLMNT-NEPJUHHUSA-N 1 3 323.359 0.586 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171215898 767020319 /nfs/dbraw/zinc/02/03/19/767020319.db2.gz FYUVJXYWTNWPSL-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171215898 767020329 /nfs/dbraw/zinc/02/03/29/767020329.db2.gz FYUVJXYWTNWPSL-AWEZNQCLSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120470200 767026870 /nfs/dbraw/zinc/02/68/70/767026870.db2.gz PBHSGPLDYBOAKE-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120470200 767026878 /nfs/dbraw/zinc/02/68/78/767026878.db2.gz PBHSGPLDYBOAKE-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001171235054 767085300 /nfs/dbraw/zinc/08/53/00/767085300.db2.gz CWHFMIMJAUETLG-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCc1cccc(C(=O)NC)c1 ZINC001146710741 767509784 /nfs/dbraw/zinc/50/97/84/767509784.db2.gz MNMLYVXYWWSMOX-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCc1cccc(C(=O)NC)c1 ZINC001146710741 767509788 /nfs/dbraw/zinc/50/97/88/767509788.db2.gz MNMLYVXYWWSMOX-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001121325980 767515592 /nfs/dbraw/zinc/51/55/92/767515592.db2.gz RXSXZLSKTNXMIA-UHFFFAOYSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2)N(C)C ZINC001121798353 767637571 /nfs/dbraw/zinc/63/75/71/767637571.db2.gz KCFNFAYXRIJLNW-YRUJJLIZSA-N 1 3 310.442 0.217 20 0 DCADHO CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725729 767831933 /nfs/dbraw/zinc/83/19/33/767831933.db2.gz ZASMBMVKXRKULS-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO CCOCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725729 767831941 /nfs/dbraw/zinc/83/19/41/767831941.db2.gz ZASMBMVKXRKULS-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC001138870773 768443569 /nfs/dbraw/zinc/44/35/69/768443569.db2.gz QMMCARIWQZORTC-CABCVRRESA-N 1 3 303.406 0.934 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC001138870773 768443574 /nfs/dbraw/zinc/44/35/74/768443574.db2.gz QMMCARIWQZORTC-CABCVRRESA-N 1 3 303.406 0.934 20 0 DCADHO COc1nccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001140691749 768541213 /nfs/dbraw/zinc/54/12/13/768541213.db2.gz SBHQLFVZRCWGHT-LSDHHAIUSA-N 1 3 305.426 0.695 20 0 DCADHO COc1nccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)n1 ZINC001140691749 768541219 /nfs/dbraw/zinc/54/12/19/768541219.db2.gz SBHQLFVZRCWGHT-LSDHHAIUSA-N 1 3 305.426 0.695 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217885 768589108 /nfs/dbraw/zinc/58/91/08/768589108.db2.gz FPJFAJOHHNLTCL-XUWVNRHRSA-N 1 3 303.406 0.467 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001093672978 768686650 /nfs/dbraw/zinc/68/66/50/768686650.db2.gz HHMNCMVIEJFDQY-BZPMIXESSA-N 1 3 323.466 0.816 20 0 DCADHO Cn1nccc1CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362463 769321558 /nfs/dbraw/zinc/32/15/58/769321558.db2.gz WCKPCXMYTKNVQZ-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1nc(C)no1 ZINC001171763014 769371171 /nfs/dbraw/zinc/37/11/71/769371171.db2.gz QNHZWXXSSDOGBW-UHFFFAOYSA-N 1 3 311.430 0.748 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC ZINC001171769882 769373198 /nfs/dbraw/zinc/37/31/98/769373198.db2.gz GWMIWKCLXNXDJN-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172130564 769430487 /nfs/dbraw/zinc/43/04/87/769430487.db2.gz PZOZACYZFBJPRM-YJNKXOJESA-N 1 3 323.437 0.755 20 0 DCADHO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172130564 769430492 /nfs/dbraw/zinc/43/04/92/769430492.db2.gz PZOZACYZFBJPRM-YJNKXOJESA-N 1 3 323.437 0.755 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172158103 769446319 /nfs/dbraw/zinc/44/63/19/769446319.db2.gz AYIYKDSOGSZVOR-HOTGVXAUSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001152138302 769489783 /nfs/dbraw/zinc/48/97/83/769489783.db2.gz UNYOQEJIUCRYDG-BETUJISGSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001152138302 769489788 /nfs/dbraw/zinc/48/97/88/769489788.db2.gz UNYOQEJIUCRYDG-BETUJISGSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152383594 769540589 /nfs/dbraw/zinc/54/05/89/769540589.db2.gz HTPJFEAXPXHIJT-LBPRGKRZSA-N 1 3 306.410 0.202 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001152471297 769571313 /nfs/dbraw/zinc/57/13/13/769571313.db2.gz KQSCHUTTWBOHGM-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCc1ccnn1C)[NH+]1CCCC1 ZINC001152473666 769571672 /nfs/dbraw/zinc/57/16/72/769571672.db2.gz XSQXZYMWBWTEDU-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173564920 769656195 /nfs/dbraw/zinc/65/61/95/769656195.db2.gz MXZGUBUXNFVLGF-YIYPIFLZSA-N 1 3 312.410 0.801 20 0 DCADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173564920 769656202 /nfs/dbraw/zinc/65/62/02/769656202.db2.gz MXZGUBUXNFVLGF-YIYPIFLZSA-N 1 3 312.410 0.801 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](C)C2)C[C@@H]1C(=O)OC ZINC001173566006 769658350 /nfs/dbraw/zinc/65/83/50/769658350.db2.gz XYJKHBPCOJNTIR-SYQHCUMBSA-N 1 3 312.410 0.659 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C(=O)OC ZINC001173566006 769658357 /nfs/dbraw/zinc/65/83/57/769658357.db2.gz XYJKHBPCOJNTIR-SYQHCUMBSA-N 1 3 312.410 0.659 20 0 DCADHO [NH3+]CCCCN1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001235545401 769884957 /nfs/dbraw/zinc/88/49/57/769884957.db2.gz BOXIWPITYRSIDD-PMPSAXMXSA-N 1 3 318.421 0.782 20 0 DCADHO Cn1cccc1C(=O)NC[C@H]1OC[C@@H]2CC[N@H+](CCN)C[C@@H]21 ZINC001235630360 769917230 /nfs/dbraw/zinc/91/72/30/769917230.db2.gz OHNKWLNRAGMCJT-KCQAQPDRSA-N 1 3 306.410 0.051 20 0 DCADHO Cn1cccc1C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+](CCN)C[C@@H]21 ZINC001235630360 769917236 /nfs/dbraw/zinc/91/72/36/769917236.db2.gz OHNKWLNRAGMCJT-KCQAQPDRSA-N 1 3 306.410 0.051 20 0 DCADHO CC[NH2+]CCN1CCCn2cnc(CNC3CCOCC3)c2C1 ZINC001235653832 769926289 /nfs/dbraw/zinc/92/62/89/769926289.db2.gz VGBSJZOXBQSYEG-UHFFFAOYSA-N 1 3 321.469 0.967 20 0 DCADHO COc1cc(OC)nc(CN2CCN(CCCC[NH3+])CC2)n1 ZINC001235661997 769928475 /nfs/dbraw/zinc/92/84/75/769928475.db2.gz CDTKBPKFUKLJPQ-UHFFFAOYSA-N 1 3 309.414 0.350 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cnc(C)nc3)C[C@H]1C2 ZINC001236024199 769967407 /nfs/dbraw/zinc/96/74/07/769967407.db2.gz XLZLYOCBIKLTRF-DLTWYDFYSA-N 1 3 316.405 0.616 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110190924 769990508 /nfs/dbraw/zinc/99/05/08/769990508.db2.gz YDJRQRCDGQYSMC-PMPSAXMXSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NCCC[NH2+]Cc1ccon1 ZINC001176162448 770049949 /nfs/dbraw/zinc/04/99/49/770049949.db2.gz WJIIBPBTBWXMFK-ZDUSSCGKSA-N 1 3 310.398 0.239 20 0 DCADHO Nc1ccccc1S(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238241827 770108604 /nfs/dbraw/zinc/10/86/04/770108604.db2.gz LPFNSDDYTLCPAC-GFCCVEGCSA-N 1 3 324.450 0.421 20 0 DCADHO Nc1ccccc1S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238241827 770108612 /nfs/dbraw/zinc/10/86/12/770108612.db2.gz LPFNSDDYTLCPAC-GFCCVEGCSA-N 1 3 324.450 0.421 20 0 DCADHO O=S(=O)(Cc1ccccn1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239578 770108669 /nfs/dbraw/zinc/10/86/69/770108669.db2.gz DRRPNEFGWDPTHD-CYBMUJFWSA-N 1 3 324.450 0.375 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)C1CCCC1 ZINC001238244202 770110488 /nfs/dbraw/zinc/11/04/88/770110488.db2.gz XQJRTAOCULOFOR-GFCCVEGCSA-N 1 3 301.456 0.723 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)C1CCCC1 ZINC001238244202 770110494 /nfs/dbraw/zinc/11/04/94/770110494.db2.gz XQJRTAOCULOFOR-GFCCVEGCSA-N 1 3 301.456 0.723 20 0 DCADHO [NH3+]CCS(=O)(=O)N[C@@H](Cc1ccccc1)CN1CCCC1 ZINC001238636109 770122482 /nfs/dbraw/zinc/12/24/82/770122482.db2.gz KWFJILPYQFFBAF-HNNXBMFYSA-N 1 3 311.451 0.572 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc2nccnc2c1 ZINC001238879849 770141330 /nfs/dbraw/zinc/14/13/30/770141330.db2.gz XJPJIYBSSKALCT-UHFFFAOYSA-N 1 3 323.422 0.237 20 0 DCADHO [NH3+]CCS(=O)(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC001239101141 770179946 /nfs/dbraw/zinc/17/99/46/770179946.db2.gz FFGJMRCVZNJEGL-UHFFFAOYSA-N 1 3 323.462 0.798 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986749 770273644 /nfs/dbraw/zinc/27/36/44/770273644.db2.gz VDSYLMWYTPSHSO-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001176986823 770273670 /nfs/dbraw/zinc/27/36/70/770273670.db2.gz WTYPHVVZXPCJIA-CQSZACIVSA-N 1 3 314.474 0.678 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCCCN2CC)C1=O ZINC001176991685 770280144 /nfs/dbraw/zinc/28/01/44/770280144.db2.gz CHWUHHCFHWNUPM-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001176991753 770281814 /nfs/dbraw/zinc/28/18/14/770281814.db2.gz DDWSIVIJCQHMOL-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO [NH3+]C1CCN(c2cccc(NCCCc3c[nH][nH]c3=O)n2)CC1 ZINC001156284001 770773562 /nfs/dbraw/zinc/77/35/62/770773562.db2.gz BGHRUAWWAPAQTE-GFCCVEGCSA-N 1 3 316.409 0.933 20 0 DCADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001178698211 770840939 /nfs/dbraw/zinc/84/09/39/770840939.db2.gz BTDHAOJOXHFWBX-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)C1 ZINC001179388710 771002189 /nfs/dbraw/zinc/00/21/89/771002189.db2.gz OKIHHIXPXKVXDH-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCC(=O)NC)[C@@H]2C)C1 ZINC001179388710 771002196 /nfs/dbraw/zinc/00/21/96/771002196.db2.gz OKIHHIXPXKVXDH-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435530 771005463 /nfs/dbraw/zinc/00/54/63/771005463.db2.gz UHPPPAMBRQETID-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)[C@@H]1C ZINC001179856455 771025348 /nfs/dbraw/zinc/02/53/48/771025348.db2.gz AQXKBUAKXPZKIF-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)[C@@H]1C ZINC001179856455 771025355 /nfs/dbraw/zinc/02/53/55/771025355.db2.gz AQXKBUAKXPZKIF-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)C1=O ZINC001180226897 771077946 /nfs/dbraw/zinc/07/79/46/771077946.db2.gz SAIMYXHPIKCSDE-SOUVJXGZSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1C ZINC001180226702 771078115 /nfs/dbraw/zinc/07/81/15/771078115.db2.gz HHDWCOLCNNEDSZ-RDBSUJKOSA-N 1 3 312.458 0.382 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182677421 771526995 /nfs/dbraw/zinc/52/69/95/771526995.db2.gz ZZFUZDOHAORZED-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182677421 771526999 /nfs/dbraw/zinc/52/69/99/771526999.db2.gz ZZFUZDOHAORZED-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692075 771534474 /nfs/dbraw/zinc/53/44/74/771534474.db2.gz BDLJANHGCQKVOV-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182692075 771534477 /nfs/dbraw/zinc/53/44/77/771534477.db2.gz BDLJANHGCQKVOV-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001183435898 771649144 /nfs/dbraw/zinc/64/91/44/771649144.db2.gz HESONQGKXPPBIG-HIFRSBDPSA-N 1 3 310.442 0.042 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183435445 771649323 /nfs/dbraw/zinc/64/93/23/771649323.db2.gz DNXCLDQCSTWJFA-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1)[NH+](C)C ZINC001183449977 771649967 /nfs/dbraw/zinc/64/99/67/771649967.db2.gz IDLULAMHKBUWCI-CFVMTHIKSA-N 1 3 324.469 0.430 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183516970 771654683 /nfs/dbraw/zinc/65/46/83/771654683.db2.gz IKRLEYLGRTVESB-JKIFEVAISA-N 1 3 324.469 0.420 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CC(F)(F)CC[C@H]1CO ZINC001157731040 771660029 /nfs/dbraw/zinc/66/00/29/771660029.db2.gz UTWTZLXLFPGJKH-NWDGAFQWSA-N 1 3 317.380 0.479 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CC(F)(F)CC[C@H]1CO ZINC001157731040 771660030 /nfs/dbraw/zinc/66/00/30/771660030.db2.gz UTWTZLXLFPGJKH-NWDGAFQWSA-N 1 3 317.380 0.479 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001183647712 771675563 /nfs/dbraw/zinc/67/55/63/771675563.db2.gz IVAMJSGZBISUHN-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1)C1CC1 ZINC001183648270 771675629 /nfs/dbraw/zinc/67/56/29/771675629.db2.gz RPLGYSQLQWULRW-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001157841515 771679211 /nfs/dbraw/zinc/67/92/11/771679211.db2.gz GGGKWAMPMGRSIM-UPJWGTAASA-N 1 3 313.442 0.892 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001183765679 771698799 /nfs/dbraw/zinc/69/87/99/771698799.db2.gz ZNDIINQTTFKEHC-GXTWGEPZSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001183765679 771698801 /nfs/dbraw/zinc/69/88/01/771698801.db2.gz ZNDIINQTTFKEHC-GXTWGEPZSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158031556 771715950 /nfs/dbraw/zinc/71/59/50/771715950.db2.gz MJXPURSHEAMDTC-ZQIUZPCESA-N 1 3 324.469 0.611 20 0 DCADHO O=C([C@H]1NCCC[C@H]1C(F)(F)F)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167898 771732742 /nfs/dbraw/zinc/73/27/42/771732742.db2.gz NVCLXRPBJAQIQD-KKOKHZNYSA-N 1 3 321.343 0.364 20 0 DCADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158328176 771760297 /nfs/dbraw/zinc/76/02/97/771760297.db2.gz VVCIXBNXNMOZKR-RRFJBIMHSA-N 1 3 317.389 0.365 20 0 DCADHO N[C@]1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CCC[NH2+]C1 ZINC001158337451 771761844 /nfs/dbraw/zinc/76/18/44/771761844.db2.gz VOTGPPBDVQUALN-ZMSDIMECSA-N 1 3 300.406 0.165 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2nccn2C)CC[N@@H+]1C ZINC001158397487 771768349 /nfs/dbraw/zinc/76/83/49/771768349.db2.gz PFQXZJSGHJXCGW-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2nccn2C)CC[N@H+]1C ZINC001158397487 771768355 /nfs/dbraw/zinc/76/83/55/771768355.db2.gz PFQXZJSGHJXCGW-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422154 771772083 /nfs/dbraw/zinc/77/20/83/771772083.db2.gz IDJFVEZVKYKXKH-ARFHVFGLSA-N 1 3 303.406 0.883 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001184433194 771787324 /nfs/dbraw/zinc/78/73/24/771787324.db2.gz FIOZAOSENQMSHY-IQXANGCESA-N 1 3 311.401 0.400 20 0 DCADHO CO[C@@H](CN)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555332 771789360 /nfs/dbraw/zinc/78/93/60/771789360.db2.gz LIMFEARGGMXNRZ-VYDXJSESSA-N 1 3 303.406 0.566 20 0 DCADHO Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]3O2)n1 ZINC001158694044 771808665 /nfs/dbraw/zinc/80/86/65/771808665.db2.gz QYYVWTPXAYGONJ-ZDEQEGDKSA-N 1 3 323.397 0.123 20 0 DCADHO CC(C)Oc1ncnc2c1CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001158959554 771838741 /nfs/dbraw/zinc/83/87/41/771838741.db2.gz REKDVRBMYQXRLE-ZDUSSCGKSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNCc1nccn1C ZINC001185072401 771863120 /nfs/dbraw/zinc/86/31/20/771863120.db2.gz GTSHMZSSRORALX-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H](N)CC(F)F)C1 ZINC001159134846 771865235 /nfs/dbraw/zinc/86/52/35/771865235.db2.gz PZHVHQRSEXRTBG-MNOVXSKESA-N 1 3 315.368 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185156760 771878054 /nfs/dbraw/zinc/87/80/54/771878054.db2.gz AYWNXTYXFXQTEH-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185156760 771878059 /nfs/dbraw/zinc/87/80/59/771878059.db2.gz AYWNXTYXFXQTEH-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265978 771895541 /nfs/dbraw/zinc/89/55/41/771895541.db2.gz VTHHLYXSIKURPN-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1)[NH+](CC)CC ZINC001185599819 771934555 /nfs/dbraw/zinc/93/45/55/771934555.db2.gz FRCFGSHQQIEPOT-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001185659135 771941539 /nfs/dbraw/zinc/94/15/39/771941539.db2.gz DVFKIWKNGJNKHI-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC1CCC1)C1CC1 ZINC001159916275 771976410 /nfs/dbraw/zinc/97/64/10/771976410.db2.gz QGEJJWQATXDNRR-MRXNPFEDSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCN1CCCC1=O)C1CC1 ZINC001159932056 771980011 /nfs/dbraw/zinc/98/00/11/771980011.db2.gz NRQGWYKNJPNVAB-HNNXBMFYSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCNC(=O)C1CC1)C1CCC1 ZINC001160003415 771987710 /nfs/dbraw/zinc/98/77/10/771987710.db2.gz NNSQMOKXWNUDFO-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCc1ccnn1C)N(C)C ZINC001160427140 772035875 /nfs/dbraw/zinc/03/58/75/772035875.db2.gz NRERBKAJPZLQQG-HNNXBMFYSA-N 1 3 309.458 0.645 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)C1=O ZINC001160426464 772036083 /nfs/dbraw/zinc/03/60/83/772036083.db2.gz GEVGLGXYCMAVHZ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001186405221 772038874 /nfs/dbraw/zinc/03/88/74/772038874.db2.gz RZKLOQRGBHOZBJ-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001160482437 772047430 /nfs/dbraw/zinc/04/74/30/772047430.db2.gz GVFPZGMLVRGGBJ-RNODOKPDSA-N 1 3 303.472 0.415 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001160482436 772047566 /nfs/dbraw/zinc/04/75/66/772047566.db2.gz GVFPZGMLVRGGBJ-RBZFPXEDSA-N 1 3 303.472 0.415 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186554313 772053695 /nfs/dbraw/zinc/05/36/95/772053695.db2.gz BCLBKAOABXDFQI-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCO[C@@H](c2ccccc2)C1 ZINC001160529989 772059267 /nfs/dbraw/zinc/05/92/67/772059267.db2.gz DHZLUIVQMMHYIU-LSDHHAIUSA-N 1 3 301.390 0.396 20 0 DCADHO N[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160531291 772059656 /nfs/dbraw/zinc/05/96/56/772059656.db2.gz YKFVVILENMFWAC-JKSUJKDBSA-N 1 3 303.406 0.913 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCn2c(Br)cnc2C1 ZINC001160542390 772061747 /nfs/dbraw/zinc/06/17/47/772061747.db2.gz VIYFVSLFCSUDQL-MRVPVSSYSA-N 1 3 316.203 0.054 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650137 772087388 /nfs/dbraw/zinc/08/73/88/772087388.db2.gz RTWBOQOWBXYPDF-AXFHLTTASA-N 1 3 303.378 0.204 20 0 DCADHO N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F)C1CC[NH2+]CC1 ZINC001160760459 772107965 /nfs/dbraw/zinc/10/79/65/772107965.db2.gz MXGAYHIUWSOXNI-GRYCIOLGSA-N 1 3 303.353 0.053 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106941 772131789 /nfs/dbraw/zinc/13/17/89/772131789.db2.gz RKBKQNVBCSMTRW-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106941 772131793 /nfs/dbraw/zinc/13/17/93/772131793.db2.gz RKBKQNVBCSMTRW-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(C)C)N(C)C ZINC001160889695 772132747 /nfs/dbraw/zinc/13/27/47/772132747.db2.gz PPJZUXZBQZQUQU-LSDHHAIUSA-N 1 3 317.474 0.456 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889086 772133211 /nfs/dbraw/zinc/13/32/11/772133211.db2.gz BSORDLVTOBLCEH-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161011160 772149376 /nfs/dbraw/zinc/14/93/76/772149376.db2.gz RHOSKWJKJJGVIT-ZDUSSCGKSA-N 1 3 318.377 0.136 20 0 DCADHO NC(=S)C1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001161030732 772154636 /nfs/dbraw/zinc/15/46/36/772154636.db2.gz GNPNLLZPBZQRBQ-GFCCVEGCSA-N 1 3 310.467 0.385 20 0 DCADHO NC(=S)C1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001161030732 772154639 /nfs/dbraw/zinc/15/46/39/772154639.db2.gz GNPNLLZPBZQRBQ-GFCCVEGCSA-N 1 3 310.467 0.385 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001187221407 772156569 /nfs/dbraw/zinc/15/65/69/772156569.db2.gz YVORVSCVAGLBOQ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001187276709 772159839 /nfs/dbraw/zinc/15/98/39/772159839.db2.gz RPLQTESNOYRTFW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001187276709 772159842 /nfs/dbraw/zinc/15/98/42/772159842.db2.gz RPLQTESNOYRTFW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001187291132 772161248 /nfs/dbraw/zinc/16/12/48/772161248.db2.gz JMUDVLJOTGNYEC-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1 ZINC001187322201 772165427 /nfs/dbraw/zinc/16/54/27/772165427.db2.gz NOCPYKJDMCXAAU-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCOC[C@H]1Cc1ccccc1 ZINC001161144368 772175039 /nfs/dbraw/zinc/17/50/39/772175039.db2.gz KLYNBVLZTSPWJY-HZPDHXFCSA-N 1 3 315.417 0.266 20 0 DCADHO C[C@@H](N)C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161153050 772176927 /nfs/dbraw/zinc/17/69/27/772176927.db2.gz XOEIPMJYVRBRLU-MRVPVSSYSA-N 1 3 317.315 0.928 20 0 DCADHO CCCCOC(=O)[C@H]1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161459747 772226798 /nfs/dbraw/zinc/22/67/98/772226798.db2.gz BMBUIPYGWYTHOO-UONOGXRCSA-N 1 3 311.426 0.505 20 0 DCADHO COc1cccc([C@H](N)CC(=O)N2C[C@@H]([NH3+])C3(COC3)C2)c1 ZINC001161508297 772236210 /nfs/dbraw/zinc/23/62/10/772236210.db2.gz CZHLSNJYQQQQDQ-ZIAGYGMSSA-N 1 3 305.378 0.271 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825492 772237884 /nfs/dbraw/zinc/23/78/84/772237884.db2.gz NJLHBFOIJLCWDJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(CC)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825492 772237886 /nfs/dbraw/zinc/23/78/86/772237886.db2.gz NJLHBFOIJLCWDJ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921746 772249421 /nfs/dbraw/zinc/24/94/21/772249421.db2.gz WDUAUAVATHRACC-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872554 772427382 /nfs/dbraw/zinc/42/73/82/772427382.db2.gz WBZHIEQIKDNLBL-BOLLXYOYSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1)C(N)=O ZINC001206679678 772433448 /nfs/dbraw/zinc/43/34/48/772433448.db2.gz MWBAQFLQURSBIP-AWEZNQCLSA-N 1 3 324.469 0.420 20 0 DCADHO NC1=CC=C(C2CCN(c3ncc4c(n3)CCNC4)CC2)[NH2+]C1 ZINC001163131677 772469418 /nfs/dbraw/zinc/46/94/18/772469418.db2.gz YQZZSOHBRMPMDM-UHFFFAOYSA-N 1 3 312.421 0.668 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(C2CC2)nn1C ZINC001189419169 772473300 /nfs/dbraw/zinc/47/33/00/772473300.db2.gz BZUJVESFLQZIRB-UHFFFAOYSA-N 1 3 306.414 0.975 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)n1 ZINC001163223646 772484940 /nfs/dbraw/zinc/48/49/40/772484940.db2.gz LYOWLPWHBJVONP-MRXNPFEDSA-N 1 3 319.453 0.890 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163821119 772577423 /nfs/dbraw/zinc/57/74/23/772577423.db2.gz KWQWHUSUZJYZRM-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)CCOC)C1 ZINC001190443940 772626121 /nfs/dbraw/zinc/62/61/21/772626121.db2.gz LPPBJFAVGZRJIO-ZIAGYGMSSA-N 1 3 303.422 0.845 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CCOC)C1 ZINC001190443940 772626123 /nfs/dbraw/zinc/62/61/23/772626123.db2.gz LPPBJFAVGZRJIO-ZIAGYGMSSA-N 1 3 303.422 0.845 20 0 DCADHO Cc1cc(CNCCCNC(=O)C2(C[NH+](C)C)CC2)nn1C ZINC001165255103 772711910 /nfs/dbraw/zinc/71/19/10/772711910.db2.gz WSKBCCBDIXYEBO-UHFFFAOYSA-N 1 3 307.442 0.666 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NCC1CC1)N(C)C ZINC001166004357 772778201 /nfs/dbraw/zinc/77/82/01/772778201.db2.gz NEZYDYWAAQJJAA-OAHLLOKOSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCc1ccnn1C ZINC001166626993 772830106 /nfs/dbraw/zinc/83/01/06/772830106.db2.gz NPKCKPBWICKMBR-CQSZACIVSA-N 1 3 307.442 0.543 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N1CCCCC1 ZINC001166633319 772832308 /nfs/dbraw/zinc/83/23/08/772832308.db2.gz DCTLZZKVYLPRDL-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667814 772837469 /nfs/dbraw/zinc/83/74/69/772837469.db2.gz IVNIZXMOELOIQI-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1noc(CCC[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)n1 ZINC001166678142 772839080 /nfs/dbraw/zinc/83/90/80/772839080.db2.gz TVMATNLFMHLQSY-ZDUSSCGKSA-N 1 3 323.441 0.748 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001166677911 772839756 /nfs/dbraw/zinc/83/97/56/772839756.db2.gz PZRJXFILCATORC-KBPBESRZSA-N 1 3 320.441 0.203 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166691083 772841451 /nfs/dbraw/zinc/84/14/51/772841451.db2.gz KHGGYLAIDWUKKC-ZYHUDNBSSA-N 1 3 311.455 0.640 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166691083 772841454 /nfs/dbraw/zinc/84/14/54/772841454.db2.gz KHGGYLAIDWUKKC-ZYHUDNBSSA-N 1 3 311.455 0.640 20 0 DCADHO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851453 772870604 /nfs/dbraw/zinc/87/06/04/772870604.db2.gz AQMHZHZYNMRXFJ-AWEZNQCLSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001166865193 772872446 /nfs/dbraw/zinc/87/24/46/772872446.db2.gz CLEBHRRTOCTOCG-HNNXBMFYSA-N 1 3 320.437 0.722 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001166866765 772872758 /nfs/dbraw/zinc/87/27/58/772872758.db2.gz TXTZMKWHRXCISW-ZDUSSCGKSA-N 1 3 315.849 0.973 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2)CC(C)(C)C ZINC001203427102 772906265 /nfs/dbraw/zinc/90/62/65/772906265.db2.gz SOJYDHWEUMODDQ-STQMWFEESA-N 1 3 324.469 0.467 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC001203437968 772907059 /nfs/dbraw/zinc/90/70/59/772907059.db2.gz YOGMPWCNBGELHL-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203793624 772924697 /nfs/dbraw/zinc/92/46/97/772924697.db2.gz SHHSJUWWIYEIMP-QWHCGFSZSA-N 1 3 310.442 0.090 20 0 DCADHO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206177019 773053168 /nfs/dbraw/zinc/05/31/68/773053168.db2.gz ZRRNMGWNZNTBCW-OAHLLOKOSA-N 1 3 312.458 0.147 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274847 773061203 /nfs/dbraw/zinc/06/12/03/773061203.db2.gz LQUKRNYUIRFNFC-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[N@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001206585938 773090439 /nfs/dbraw/zinc/09/04/39/773090439.db2.gz IEEFAZMZPLYODO-UPJWGTAASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@@H]1C[N@@H+](CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001206585938 773090443 /nfs/dbraw/zinc/09/04/43/773090443.db2.gz IEEFAZMZPLYODO-UPJWGTAASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@@H]1CN(CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001206585938 773090449 /nfs/dbraw/zinc/09/04/49/773090449.db2.gz IEEFAZMZPLYODO-UPJWGTAASA-N 1 3 319.396 0.799 20 0 DCADHO C[C@@H]1CN(CCOCC(F)F)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001206585938 773090451 /nfs/dbraw/zinc/09/04/51/773090451.db2.gz IEEFAZMZPLYODO-UPJWGTAASA-N 1 3 319.396 0.799 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001206954300 773147097 /nfs/dbraw/zinc/14/70/97/773147097.db2.gz CUMDRGQPSMFBAA-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC001194294784 773179638 /nfs/dbraw/zinc/17/96/38/773179638.db2.gz NDIXYKFEENMOAD-HNNXBMFYSA-N 1 3 307.442 0.756 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC001194294784 773179641 /nfs/dbraw/zinc/17/96/41/773179641.db2.gz NDIXYKFEENMOAD-HNNXBMFYSA-N 1 3 307.442 0.756 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001152136538 773251644 /nfs/dbraw/zinc/25/16/44/773251644.db2.gz DPBMBVCFXOABJF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001207685082 773268752 /nfs/dbraw/zinc/26/87/52/773268752.db2.gz WFQIYYUBWUQIOK-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001208411545 773455796 /nfs/dbraw/zinc/45/57/96/773455796.db2.gz WNJBXXNWWXAJSM-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCCCC1 ZINC001208749560 773524129 /nfs/dbraw/zinc/52/41/29/773524129.db2.gz SNLJOHQFIBRLOE-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001209278947 773581465 /nfs/dbraw/zinc/58/14/65/773581465.db2.gz SQXJXIYTGISIRK-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447140 773605951 /nfs/dbraw/zinc/60/59/51/773605951.db2.gz XYPPIZDCWUORQD-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447138 773606032 /nfs/dbraw/zinc/60/60/32/773606032.db2.gz XYPPIZDCWUORQD-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447136 773606416 /nfs/dbraw/zinc/60/64/16/773606416.db2.gz XYPPIZDCWUORQD-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[NH+](CC)CCCNC(=S)N1CCO[C@H](CN(C)C)C1 ZINC001196664315 773629037 /nfs/dbraw/zinc/62/90/37/773629037.db2.gz QMSDMQRBVTZXIU-CQSZACIVSA-N 1 3 316.515 0.855 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659298 773631584 /nfs/dbraw/zinc/63/15/84/773631584.db2.gz BGEBYGCINHJEGU-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001210041554 773670455 /nfs/dbraw/zinc/67/04/55/773670455.db2.gz UREKMMRNAGPTEM-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@H]1C ZINC001210041554 773670457 /nfs/dbraw/zinc/67/04/57/773670457.db2.gz UREKMMRNAGPTEM-GDBMZVCRSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001210221293 773687151 /nfs/dbraw/zinc/68/71/51/773687151.db2.gz ZFTRNIKQTGKYNJ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001210218925 773687520 /nfs/dbraw/zinc/68/75/20/773687520.db2.gz RGSSECWQDTYLET-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001210481656 773711640 /nfs/dbraw/zinc/71/16/40/773711640.db2.gz FAJOQUMHQXJZCC-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC001210481656 773711645 /nfs/dbraw/zinc/71/16/45/773711645.db2.gz FAJOQUMHQXJZCC-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674371 773728636 /nfs/dbraw/zinc/72/86/36/773728636.db2.gz UKLNAPPDQKYWSW-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674371 773728639 /nfs/dbraw/zinc/72/86/39/773728639.db2.gz UKLNAPPDQKYWSW-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210673923 773729104 /nfs/dbraw/zinc/72/91/04/773729104.db2.gz JTCYBCMNFGWTNF-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001210744611 773734526 /nfs/dbraw/zinc/73/45/26/773734526.db2.gz SIUFRNDSAHGMKU-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001210782382 773736779 /nfs/dbraw/zinc/73/67/79/773736779.db2.gz MGVJKTSXXAEFPO-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001210782382 773736784 /nfs/dbraw/zinc/73/67/84/773736784.db2.gz MGVJKTSXXAEFPO-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCCOC)C[C@H]1O ZINC001197493482 773761054 /nfs/dbraw/zinc/76/10/54/773761054.db2.gz PKKGCYDGENWESR-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCCOC)C[C@H]1O ZINC001197493482 773761056 /nfs/dbraw/zinc/76/10/56/773761056.db2.gz PKKGCYDGENWESR-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445267 773906046 /nfs/dbraw/zinc/90/60/46/773906046.db2.gz GEEMWSLNJZNTGZ-ZDUSSCGKSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001152464257 773939664 /nfs/dbraw/zinc/93/96/64/773939664.db2.gz COVNVXMUHASKKR-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214662012 774006199 /nfs/dbraw/zinc/00/61/99/774006199.db2.gz PPZFWOFJONIPSG-KBUPBQIOSA-N 1 3 324.469 0.241 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214662012 774006203 /nfs/dbraw/zinc/00/62/03/774006203.db2.gz PPZFWOFJONIPSG-KBUPBQIOSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1cnn(C)c1 ZINC001215422085 774071595 /nfs/dbraw/zinc/07/15/95/774071595.db2.gz WUSWWNZKIOOHOJ-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001215571655 774083465 /nfs/dbraw/zinc/08/34/65/774083465.db2.gz RGGSWLAXKKBQJI-MCIONIFRSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838917 774141435 /nfs/dbraw/zinc/14/14/35/774141435.db2.gz IHNRSMOIFQUINN-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839471 774142523 /nfs/dbraw/zinc/14/25/23/774142523.db2.gz UUDJQRJWSMJRNY-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001216851908 774143215 /nfs/dbraw/zinc/14/32/15/774143215.db2.gz LBJNIWFHJYWFAO-GDBMZVCRSA-N 1 3 321.469 0.739 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001216852125 774143424 /nfs/dbraw/zinc/14/34/24/774143424.db2.gz QEXIOOGIESHHKR-HZSPNIEDSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]1C[C@@H](Oc2cc(C[C@H](N)C(=O)N(C)C)ccc2O)C[NH2+]1 ZINC001218040122 774210138 /nfs/dbraw/zinc/21/01/38/774210138.db2.gz ROHYQQSBVSYIJX-RTXFEEFZSA-N 1 3 307.394 0.479 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C=CC[NH2+]C2)c1 ZINC001218337938 774221241 /nfs/dbraw/zinc/22/12/41/774221241.db2.gz QVXKGDREDNZWMH-OLZOCXBDSA-N 1 3 305.378 0.257 20 0 DCADHO COc1nc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc2cccnc21 ZINC001218526089 774237151 /nfs/dbraw/zinc/23/71/51/774237151.db2.gz CBNWOSBFLOMSTH-CYBMUJFWSA-N 1 3 315.377 0.904 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534115 774239838 /nfs/dbraw/zinc/23/98/38/774239838.db2.gz VDZTXGWDVMKCDV-SFYZADRCSA-N 1 3 312.395 0.178 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534751 774240032 /nfs/dbraw/zinc/24/00/32/774240032.db2.gz XZMQALLMFLDHDA-IONNQARKSA-N 1 3 306.395 0.191 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534751 774240038 /nfs/dbraw/zinc/24/00/38/774240038.db2.gz XZMQALLMFLDHDA-IONNQARKSA-N 1 3 306.395 0.191 20 0 DCADHO O=C(Nc1ccc(Br)nc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218538149 774241122 /nfs/dbraw/zinc/24/11/22/774241122.db2.gz IFWUQZORYLIDHN-SECBINFHSA-N 1 3 311.183 0.592 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)CC1 ZINC001218551013 774244606 /nfs/dbraw/zinc/24/46/06/774244606.db2.gz ZLSTXKWZTCWKOZ-LSDHHAIUSA-N 1 3 307.438 0.650 20 0 DCADHO Nc1cccc(-c2cccc(NC(=O)[C@@H](N)CCC[NH3+])n2)n1 ZINC001218558751 774247028 /nfs/dbraw/zinc/24/70/28/774247028.db2.gz IKGMHPZQSOAJMI-JTQLQIEISA-N 1 3 300.366 0.731 20 0 DCADHO Cn1nc(Br)cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218583421 774256604 /nfs/dbraw/zinc/25/66/04/774256604.db2.gz TZOVPFQROKEMJJ-JTQLQIEISA-N 1 3 316.203 0.448 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218725975 774289592 /nfs/dbraw/zinc/28/95/92/774289592.db2.gz DLVOXWANVRBGGC-NEPJUHHUSA-N 1 3 322.365 0.041 20 0 DCADHO COc1ccccc1-n1nccc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218728595 774290220 /nfs/dbraw/zinc/29/02/20/774290220.db2.gz ODQUGJOLALTZMD-LLVKDONJSA-N 1 3 303.366 0.886 20 0 DCADHO Cc1cnn(C2CCOCC2)c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218740683 774292954 /nfs/dbraw/zinc/29/29/54/774292954.db2.gz DAZIMSWGUFFNNN-CQSZACIVSA-N 1 3 321.425 0.808 20 0 DCADHO Cc1cnn(C2CCOCC2)c1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218741843 774293918 /nfs/dbraw/zinc/29/39/18/774293918.db2.gz RXWRYYJVTMRCFJ-CYBMUJFWSA-N 1 3 319.409 0.291 20 0 DCADHO CCOc1cc(C(N)=O)ccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218816627 774309089 /nfs/dbraw/zinc/30/90/89/774309089.db2.gz UFIAQOZWBALRTK-NSHDSACASA-N 1 3 308.382 0.579 20 0 DCADHO O=C(Nc1cccc(Cn2cccn2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218848892 774315595 /nfs/dbraw/zinc/31/55/95/774315595.db2.gz YUPRZZKITGTLEK-HNNXBMFYSA-N 1 3 311.389 0.679 20 0 DCADHO CN1CCN(c2ccc(F)cc2NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001218860547 774316844 /nfs/dbraw/zinc/31/68/44/774316844.db2.gz DAVKBKOXGMGRCZ-OCCSQVGLSA-N 1 3 321.400 0.205 20 0 DCADHO O=C(Nc1ccc(C2OCCO2)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218910283 774325442 /nfs/dbraw/zinc/32/54/42/774325442.db2.gz HZCITNDGFRNISV-CXAGYDPISA-N 1 3 317.389 0.870 20 0 DCADHO COC(=O)c1c[nH]c2ccc(NC(=O)[C@H](N)CCC[NH3+])cc21 ZINC001218986378 774340867 /nfs/dbraw/zinc/34/08/67/774340867.db2.gz ZFECQIBISBOIHZ-GFCCVEGCSA-N 1 3 304.350 0.959 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001219029997 774349610 /nfs/dbraw/zinc/34/96/10/774349610.db2.gz YFYMEHFOOTXWKA-SGIREYDYSA-N 1 3 317.389 0.732 20 0 DCADHO [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001219178167 774400443 /nfs/dbraw/zinc/40/04/43/774400443.db2.gz MCZCYTFQYGGUFG-VIFPVBQESA-N 1 3 319.365 0.826 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001200851887 774417204 /nfs/dbraw/zinc/41/72/04/774417204.db2.gz SEAHDNQIDRMPPO-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201065906 774441452 /nfs/dbraw/zinc/44/14/52/774441452.db2.gz BQQWFPQBJVSUOE-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCOC)C1)N(C)C ZINC001201411050 774505601 /nfs/dbraw/zinc/50/56/01/774505601.db2.gz NNMDMIOKCSWTOU-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CN(CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1)CC(C)(C)C ZINC001201410738 774510535 /nfs/dbraw/zinc/51/05/35/774510535.db2.gz JAUIRDSCDCKTFU-CQSZACIVSA-N 1 3 315.458 0.164 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219645234 774571047 /nfs/dbraw/zinc/57/10/47/774571047.db2.gz JNXARASYOYLPQQ-UPJWGTAASA-N 1 3 313.442 0.668 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCOC)C1 ZINC001201932414 774573576 /nfs/dbraw/zinc/57/35/76/774573576.db2.gz YPCNBJFOUSCICY-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219696294 774581988 /nfs/dbraw/zinc/58/19/88/774581988.db2.gz GLKSTEOIBXYJEJ-GJZGRUSLSA-N 1 3 303.406 0.710 20 0 DCADHO N[C@@H](Cc1cccc(O)c1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799828 774611637 /nfs/dbraw/zinc/61/16/37/774611637.db2.gz DJGZZCBNGKZRRQ-ZFWWWQNUSA-N 1 3 319.405 0.147 20 0 DCADHO O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847444 774625993 /nfs/dbraw/zinc/62/59/93/774625993.db2.gz HCIOSDAFANOASQ-VWNJHIHFSA-N 1 3 318.421 0.233 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](C)C(=O)OC(C)C ZINC001219881017 774635386 /nfs/dbraw/zinc/63/53/86/774635386.db2.gz PCDRQQBNKRSTOE-STQMWFEESA-N 1 3 301.431 0.938 20 0 DCADHO O=C(NCc1ccc(-c2ncon2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220004888 774666665 /nfs/dbraw/zinc/66/66/65/774666665.db2.gz IFJGOVHIRFPXLD-ZDUSSCGKSA-N 1 3 313.361 0.162 20 0 DCADHO COC(=O)c1ccnc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)c1 ZINC001220038246 774677217 /nfs/dbraw/zinc/67/72/17/774677217.db2.gz UNFJADHZQXWTGF-AWEZNQCLSA-N 1 3 322.409 0.544 20 0 DCADHO N=C(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(F)cn1 ZINC001220170536 774718347 /nfs/dbraw/zinc/71/83/47/774718347.db2.gz NBVDQLJWNDOLSO-GFCCVEGCSA-N 1 3 305.357 0.536 20 0 DCADHO N=C(NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(F)cn1 ZINC001220170536 774718354 /nfs/dbraw/zinc/71/83/54/774718354.db2.gz NBVDQLJWNDOLSO-GFCCVEGCSA-N 1 3 305.357 0.536 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496476 774727549 /nfs/dbraw/zinc/72/75/49/774727549.db2.gz SCFHJNFTJFLSRS-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001220317333 774770060 /nfs/dbraw/zinc/77/00/60/774770060.db2.gz XYTVDVCTPZLCGH-YALNPMBYSA-N 1 3 323.437 0.172 20 0 DCADHO CC(C)(C)C(=O)N1CCC(CNC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001220492672 774825107 /nfs/dbraw/zinc/82/51/07/774825107.db2.gz PLMXGXMYZXMCQC-ZDUSSCGKSA-N 1 3 312.458 0.454 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@]2(CC)CCC[NH2+]C2)CCNC1 ZINC001220521598 774833982 /nfs/dbraw/zinc/83/39/82/774833982.db2.gz JPJWEFJLVLXYHQ-MRXNPFEDSA-N 1 3 309.410 0.693 20 0 DCADHO CCOC(=O)C1=C(NC(=O)c2ccc(C[NH2+]C)cc2)CCNC1 ZINC001220525624 774836357 /nfs/dbraw/zinc/83/63/57/774836357.db2.gz MFZCEYFOOUMMCH-UHFFFAOYSA-N 1 3 317.389 0.946 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406940 774843678 /nfs/dbraw/zinc/84/36/78/774843678.db2.gz NSDMTTVPRGJUBL-FICVDOATSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406940 774843686 /nfs/dbraw/zinc/84/36/86/774843686.db2.gz NSDMTTVPRGJUBL-FICVDOATSA-N 1 3 309.454 0.942 20 0 DCADHO O=C(NCCc1cc(F)cc(F)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220732384 774904150 /nfs/dbraw/zinc/90/41/50/774904150.db2.gz XSFPHCGAVFVSQR-MLGOLLRUSA-N 1 3 309.360 0.823 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768574 774911602 /nfs/dbraw/zinc/91/16/02/774911602.db2.gz RYULACDITMSRLS-MUHKLVGJSA-N 1 3 313.442 0.082 20 0 DCADHO O=C(NC1(c2ncccn2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220932823 774956858 /nfs/dbraw/zinc/95/68/58/774956858.db2.gz PHJHAXRHWQRCCS-LBPRGKRZSA-N 1 3 301.394 0.456 20 0 DCADHO O=C(NC1(c2ncccn2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220932823 774956859 /nfs/dbraw/zinc/95/68/59/774956859.db2.gz PHJHAXRHWQRCCS-LBPRGKRZSA-N 1 3 301.394 0.456 20 0 DCADHO CCc1nnc2ccc(CNC(=O)[C@H](N)C3CC[NH2+]CC3)cn21 ZINC001220992191 774972272 /nfs/dbraw/zinc/97/22/72/774972272.db2.gz HPLUUAYIWBTTSN-OAHLLOKOSA-N 1 3 316.409 0.235 20 0 DCADHO C[C@](N)(CO)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221031653 774983813 /nfs/dbraw/zinc/98/38/13/774983813.db2.gz RHDDWKMRIJGYJP-ZBFHGGJFSA-N 1 3 309.385 0.692 20 0 DCADHO CCOc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001221065392 774989364 /nfs/dbraw/zinc/98/93/64/774989364.db2.gz IPDZQNWVQVZXEQ-MLGOLLRUSA-N 1 3 304.394 0.296 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1ccn(CC(F)(F)F)n1 ZINC001221107706 774997449 /nfs/dbraw/zinc/99/74/49/774997449.db2.gz HQQNZQQLCODXTE-JTQLQIEISA-N 1 3 307.320 0.518 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCC1(c2ccncc2)CCOCC1 ZINC001221174962 775017052 /nfs/dbraw/zinc/01/70/52/775017052.db2.gz VZXXROWYGNCGCJ-HNNXBMFYSA-N 1 3 320.437 0.702 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCc1ccc(CO)cc1 ZINC001221190305 775021965 /nfs/dbraw/zinc/02/19/65/775021965.db2.gz ILLQJWOBHJVZAA-INIZCTEOSA-N 1 3 307.438 0.897 20 0 DCADHO O=C(N[C@@H](c1ncccc1F)C1CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221218780 775030516 /nfs/dbraw/zinc/03/05/16/775030516.db2.gz GBQAPXOFKWFFDK-DGCLKSJQSA-N 1 3 304.369 0.597 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001221240761 775038212 /nfs/dbraw/zinc/03/82/12/775038212.db2.gz AKYHCWJUSNNWPE-XEZPLFJOSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221240761 775038220 /nfs/dbraw/zinc/03/82/20/775038220.db2.gz AKYHCWJUSNNWPE-XEZPLFJOSA-N 1 3 312.458 0.465 20 0 DCADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001221244407 775040629 /nfs/dbraw/zinc/04/06/29/775040629.db2.gz YUNBHQLZFINZTO-TYCJUYHCSA-N 1 3 311.426 0.537 20 0 DCADHO N[C@H](C(=O)NC[C@@H]1c2ccccc2NC1=O)C1CC[NH2+]CC1 ZINC001221309239 775063408 /nfs/dbraw/zinc/06/34/08/775063408.db2.gz MHMITWMFRJXWQS-OCCSQVGLSA-N 1 3 302.378 0.165 20 0 DCADHO COC(=O)C12CCC(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)(CC1)C2 ZINC001221366606 775078141 /nfs/dbraw/zinc/07/81/41/775078141.db2.gz RFKGHWGHRJDEOK-BOSFTKNMSA-N 1 3 321.421 0.178 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397250 775085348 /nfs/dbraw/zinc/08/53/48/775085348.db2.gz IEVQTSQKFIBEAB-RDJZCZTQSA-N 1 3 303.406 0.322 20 0 DCADHO CO[C@@H](C)CN1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946930 775233474 /nfs/dbraw/zinc/23/34/74/775233474.db2.gz JMMRXKRQDPCDKE-RRFJBIMHSA-N 1 3 313.442 0.132 20 0 DCADHO c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091359 775265675 /nfs/dbraw/zinc/26/56/75/775265675.db2.gz RGGOBHOXLSTBSK-UHFFFAOYSA-N 1 3 313.409 0.394 20 0 DCADHO c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091359 775265679 /nfs/dbraw/zinc/26/56/79/775265679.db2.gz RGGOBHOXLSTBSK-UHFFFAOYSA-N 1 3 313.409 0.394 20 0 DCADHO c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091359 775265686 /nfs/dbraw/zinc/26/56/86/775265686.db2.gz RGGOBHOXLSTBSK-UHFFFAOYSA-N 1 3 313.409 0.394 20 0 DCADHO c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091359 775265688 /nfs/dbraw/zinc/26/56/88/775265688.db2.gz RGGOBHOXLSTBSK-UHFFFAOYSA-N 1 3 313.409 0.394 20 0 DCADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@H](O)COC)CC1 ZINC001225245727 775658834 /nfs/dbraw/zinc/65/88/34/775658834.db2.gz XBGPKYXHMMBBNX-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](CCOC)CC1 ZINC001227618395 775991728 /nfs/dbraw/zinc/99/17/28/775991728.db2.gz FNNNOTWEJWICHH-CQSZACIVSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001114832637 776200762 /nfs/dbraw/zinc/20/07/62/776200762.db2.gz VKFQLOIZFSDCHF-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001114832637 776200773 /nfs/dbraw/zinc/20/07/73/776200773.db2.gz VKFQLOIZFSDCHF-KMANFZQXSA-N 1 3 321.465 0.944 20 0 DCADHO CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489493 777316649 /nfs/dbraw/zinc/31/66/49/777316649.db2.gz UJFAPBGLTVOSKO-CQDXFGNVSA-N 1 3 319.449 0.794 20 0 DCADHO CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001041489493 777316651 /nfs/dbraw/zinc/31/66/51/777316651.db2.gz UJFAPBGLTVOSKO-CQDXFGNVSA-N 1 3 319.449 0.794 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCn1cccn1 ZINC001480871315 939100627 /nfs/dbraw/zinc/10/06/27/939100627.db2.gz LFQMCBZWNUJNOA-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCn1cccn1 ZINC001480871315 939100631 /nfs/dbraw/zinc/10/06/31/939100631.db2.gz LFQMCBZWNUJNOA-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266567550 939165793 /nfs/dbraw/zinc/16/57/93/939165793.db2.gz IJWPGKLBWBVTKU-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCCN1CCCC1=O ZINC001266971689 939294778 /nfs/dbraw/zinc/29/47/78/939294778.db2.gz OJKQPKQUCHAUHC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001267026882 939316767 /nfs/dbraw/zinc/31/67/67/939316767.db2.gz XUARDWCLHYGRKO-STQMWFEESA-N 1 3 319.396 0.941 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCOCC(F)(F)F ZINC001267230317 939397498 /nfs/dbraw/zinc/39/74/98/939397498.db2.gz MOLSZENSHMENTQ-LLVKDONJSA-N 1 3 311.348 0.565 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCOCC(F)(F)F ZINC001267230317 939397500 /nfs/dbraw/zinc/39/75/00/939397500.db2.gz MOLSZENSHMENTQ-LLVKDONJSA-N 1 3 311.348 0.565 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267429098 939453845 /nfs/dbraw/zinc/45/38/45/939453845.db2.gz OIOLAUOVUGPPRM-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267429098 939453846 /nfs/dbraw/zinc/45/38/46/939453846.db2.gz OIOLAUOVUGPPRM-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001496207490 939468297 /nfs/dbraw/zinc/46/82/97/939468297.db2.gz QDPXCWREJIFMDE-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001496207490 939468300 /nfs/dbraw/zinc/46/83/00/939468300.db2.gz QDPXCWREJIFMDE-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CN(CC[NH2+]Cc1ccc2nonc2c1)C(=O)[C@@H]1CCCN1C ZINC001481215811 939642474 /nfs/dbraw/zinc/64/24/74/939642474.db2.gz OAUMJZMOMLCZLY-HNNXBMFYSA-N 1 3 317.393 0.865 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001481295083 939725393 /nfs/dbraw/zinc/72/53/93/939725393.db2.gz NBSMBKYGYYHMJL-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCOCCN1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481728050 940092015 /nfs/dbraw/zinc/09/20/15/940092015.db2.gz KYSWGPDVCHBPOV-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268457865 940143287 /nfs/dbraw/zinc/14/32/87/940143287.db2.gz VEKRTBNCMCWLEE-HNNXBMFYSA-N 1 3 309.458 0.944 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001481812316 940148589 /nfs/dbraw/zinc/14/85/89/940148589.db2.gz KPQDGNXFRNZCLC-GDBMZVCRSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001481875649 940168043 /nfs/dbraw/zinc/16/80/43/940168043.db2.gz OSMPLKVFKINHSR-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001481875649 940168045 /nfs/dbraw/zinc/16/80/45/940168045.db2.gz OSMPLKVFKINHSR-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CC[C@H](CNC[C@H](O)COc2ccc(CCO)cc2)C[NH2+]1 ZINC001245975097 945302211 /nfs/dbraw/zinc/30/22/11/945302211.db2.gz ORFHHTACZMXVPU-OIISXLGYSA-N 1 3 322.449 0.939 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001481992117 940201674 /nfs/dbraw/zinc/20/16/74/940201674.db2.gz UYNPSKQEKZBFOA-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO O[C@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COc1cccc(F)c1 ZINC001245971680 945302792 /nfs/dbraw/zinc/30/27/92/945302792.db2.gz GTTQMKADBPKPDC-VHDGCEQUSA-N 1 3 316.348 0.218 20 0 DCADHO O[C@@H](C[NH2+][C@H]1CCCCNC1)COCC(F)(F)C(F)F ZINC001245987737 945306857 /nfs/dbraw/zinc/30/68/57/945306857.db2.gz BVOBLYCARRKCFD-UWVGGRQHSA-N 1 3 302.312 0.996 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001268546155 940228034 /nfs/dbraw/zinc/22/80/34/940228034.db2.gz BSMODANSTQSMAK-LPUOJRKPSA-N 1 3 322.453 0.401 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001268546155 940228036 /nfs/dbraw/zinc/22/80/36/940228036.db2.gz BSMODANSTQSMAK-LPUOJRKPSA-N 1 3 322.453 0.401 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001268558758 940235305 /nfs/dbraw/zinc/23/53/05/940235305.db2.gz OASTXUVPZCCVEP-SBDDDAINSA-N 1 3 324.469 0.775 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001268558758 940235308 /nfs/dbraw/zinc/23/53/08/940235308.db2.gz OASTXUVPZCCVEP-SBDDDAINSA-N 1 3 324.469 0.775 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cnn(C)c1 ZINC001482108656 940260160 /nfs/dbraw/zinc/26/01/60/940260160.db2.gz UWDPZCBJIQOMBK-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO O[C@H](C[NH2+][C@H]1CCCCNC1)COCC(F)(F)C(F)F ZINC001245987739 945307528 /nfs/dbraw/zinc/30/75/28/945307528.db2.gz BVOBLYCARRKCFD-VHSXEESVSA-N 1 3 302.312 0.996 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1C ZINC001482170130 940291831 /nfs/dbraw/zinc/29/18/31/940291831.db2.gz ZJFNXCQISSIIEZ-OCCSQVGLSA-N 1 3 307.442 0.522 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1C ZINC001482170130 940291834 /nfs/dbraw/zinc/29/18/34/940291834.db2.gz ZJFNXCQISSIIEZ-OCCSQVGLSA-N 1 3 307.442 0.522 20 0 DCADHO N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001246016708 945315601 /nfs/dbraw/zinc/31/56/01/945315601.db2.gz HEZFSPHWSFAZEC-UAGQMJEPSA-N 1 3 308.422 0.821 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)c1cccc(OC)c1 ZINC001246019600 945315863 /nfs/dbraw/zinc/31/58/63/945315863.db2.gz LFINVHFYSPNLBZ-LSDHHAIUSA-N 1 3 309.410 0.562 20 0 DCADHO O[C@H](CN1CCN[C@@H](c2ccccc2)C1)CC1(O)CC[NH2+]CC1 ZINC001246046439 945326980 /nfs/dbraw/zinc/32/69/80/945326980.db2.gz RGDFEULBOYKLQF-DLBZAZTESA-N 1 3 319.449 0.498 20 0 DCADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246085703 945334324 /nfs/dbraw/zinc/33/43/24/945334324.db2.gz YEOMEUUIJFYFFI-UKTARXLSSA-N 1 3 302.390 0.760 20 0 DCADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246089485 945337905 /nfs/dbraw/zinc/33/79/05/945337905.db2.gz QQBDDHMFIZRLKF-UKTARXLSSA-N 1 3 302.390 0.760 20 0 DCADHO CC[C@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1)C(N)=O ZINC001482221602 940715621 /nfs/dbraw/zinc/71/56/21/940715621.db2.gz NVCHYMGFHHDKQE-ZDUSSCGKSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001269791370 940778806 /nfs/dbraw/zinc/77/88/06/940778806.db2.gz OXSNMJNLOPUUQZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)[C@H]1CCCCN1C ZINC001482297907 940927782 /nfs/dbraw/zinc/92/77/82/940927782.db2.gz GXEKUFWRMHUHNK-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354136 941017862 /nfs/dbraw/zinc/01/78/62/941017862.db2.gz OCMOPRAOASHATC-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482354136 941017866 /nfs/dbraw/zinc/01/78/66/941017866.db2.gz OCMOPRAOASHATC-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001482450266 941244785 /nfs/dbraw/zinc/24/47/85/941244785.db2.gz LLAMXSZWUHZMAG-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC3(CCC[N@H+](C)C3)CC2)CC1 ZINC001271801210 941454467 /nfs/dbraw/zinc/45/44/67/941454467.db2.gz FAFNCKLSHGPSHH-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CN1CCC(O)(C(=O)N2CCC3(CCC[N@@H+](C)C3)CC2)CC1 ZINC001271801210 941454471 /nfs/dbraw/zinc/45/44/71/941454471.db2.gz FAFNCKLSHGPSHH-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001424240232 941588948 /nfs/dbraw/zinc/58/89/48/941588948.db2.gz OYXXZZXJWJALGP-UONOGXRCSA-N 1 3 301.431 0.179 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC1CC2(CCC2)C1 ZINC001482789200 941672172 /nfs/dbraw/zinc/67/21/72/941672172.db2.gz SZAXATIHQPALQH-AWEZNQCLSA-N 1 3 320.437 0.908 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C/CN[C@H]1CCN(C(C)(C)C)C1=O ZINC001483054034 941812157 /nfs/dbraw/zinc/81/21/57/941812157.db2.gz JPISRLSKENAKCT-UZYOAWRESA-N 1 3 324.469 0.600 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC2CC(C[NH2+]CC(N)=O)C2)c1 ZINC001409278938 941867464 /nfs/dbraw/zinc/86/74/64/941867464.db2.gz IUWMLFCXQACXNU-UHFFFAOYSA-N 1 3 318.421 0.332 20 0 DCADHO Cc1nnsc1CNCC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001409320349 941896030 /nfs/dbraw/zinc/89/60/30/941896030.db2.gz WSTGMKBOWOQGPF-UHFFFAOYSA-N 1 3 311.455 0.783 20 0 DCADHO COc1ncc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001483192720 941929605 /nfs/dbraw/zinc/92/96/05/941929605.db2.gz CZRUSAXRDFUMRI-DGCLKSJQSA-N 1 3 321.425 0.340 20 0 DCADHO COc1ncc(CNC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001483192720 941929609 /nfs/dbraw/zinc/92/96/09/941929609.db2.gz CZRUSAXRDFUMRI-DGCLKSJQSA-N 1 3 321.425 0.340 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483227970 941951201 /nfs/dbraw/zinc/95/12/01/941951201.db2.gz BCJIVJGTCUTVEH-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483227970 941951204 /nfs/dbraw/zinc/95/12/04/941951204.db2.gz BCJIVJGTCUTVEH-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444300 942461382 /nfs/dbraw/zinc/46/13/82/942461382.db2.gz SGYYQXHENMBULY-IAGOWNOFSA-N 1 3 319.449 0.976 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001413067211 942462685 /nfs/dbraw/zinc/46/26/85/942462685.db2.gz CNXMCXUMWHXYQI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001272437997 942755996 /nfs/dbraw/zinc/75/59/96/942755996.db2.gz SAFPQINMRCJPBU-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001272437997 942756001 /nfs/dbraw/zinc/75/60/01/942756001.db2.gz SAFPQINMRCJPBU-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CCNCc3cnns3)C2)C1 ZINC001272641236 942881214 /nfs/dbraw/zinc/88/12/14/942881214.db2.gz CFDKRDSQGRTXAZ-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CCNCc3cnns3)C2)C1 ZINC001272641236 942881216 /nfs/dbraw/zinc/88/12/16/942881216.db2.gz CFDKRDSQGRTXAZ-STQMWFEESA-N 1 3 323.466 0.818 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001483912913 943020131 /nfs/dbraw/zinc/02/01/31/943020131.db2.gz DOSDTSYLFHSEAV-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001484383717 943344453 /nfs/dbraw/zinc/34/44/53/943344453.db2.gz BZHTTZAWJDZWHO-HOTGVXAUSA-N 1 3 321.469 0.907 20 0 DCADHO CCCCCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001484412788 943361008 /nfs/dbraw/zinc/36/10/08/943361008.db2.gz IZNQCUNBSSQRQT-IYBDPMFKSA-N 1 3 311.470 0.881 20 0 DCADHO CCCCCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001484412788 943361015 /nfs/dbraw/zinc/36/10/15/943361015.db2.gz IZNQCUNBSSQRQT-IYBDPMFKSA-N 1 3 311.470 0.881 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)NC)C[C@H]2C1 ZINC001484414305 943362630 /nfs/dbraw/zinc/36/26/30/943362630.db2.gz IBTIFVNVSOVUJW-SOUVJXGZSA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)NC)C[C@H]2C1 ZINC001484414305 943362636 /nfs/dbraw/zinc/36/26/36/943362636.db2.gz IBTIFVNVSOVUJW-SOUVJXGZSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@](CO)([NH2+]CC3CC3)C2)CCC1 ZINC001484842520 943591250 /nfs/dbraw/zinc/59/12/50/943591250.db2.gz UODAFRPZRHYDCP-INIZCTEOSA-N 1 3 309.454 0.824 20 0 DCADHO COCC[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001484872564 943608760 /nfs/dbraw/zinc/60/87/60/943608760.db2.gz KFZHESHBBQYSCI-UHFFFAOYSA-N 1 3 301.431 0.228 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001485032255 943663249 /nfs/dbraw/zinc/66/32/49/943663249.db2.gz QIALTQPDYMOEII-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCOCCO ZINC001485051477 943672279 /nfs/dbraw/zinc/67/22/79/943672279.db2.gz WTOFTXMFSXTIJA-CABCVRRESA-N 1 3 313.442 0.012 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOCCO ZINC001485051477 943672281 /nfs/dbraw/zinc/67/22/81/943672281.db2.gz WTOFTXMFSXTIJA-CABCVRRESA-N 1 3 313.442 0.012 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CCn3cccn3)C2)C1 ZINC001485102746 943693413 /nfs/dbraw/zinc/69/34/13/943693413.db2.gz QRDGTWNMSFMPCY-FHERZECASA-N 1 3 319.453 0.709 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001485094403 943695228 /nfs/dbraw/zinc/69/52/28/943695228.db2.gz RYGKLMGEURXGNZ-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cnc(CN[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC001491502834 944054724 /nfs/dbraw/zinc/05/47/24/944054724.db2.gz CNMXNJKCKBNOBU-UKRRQHHQSA-N 1 3 305.426 0.864 20 0 DCADHO Cc1cnc(CN[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)cn1 ZINC001491502834 944054730 /nfs/dbraw/zinc/05/47/30/944054730.db2.gz CNMXNJKCKBNOBU-UKRRQHHQSA-N 1 3 305.426 0.864 20 0 DCADHO CC(C)N1CCN(CC[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC001256378818 944094967 /nfs/dbraw/zinc/09/49/67/944094967.db2.gz FBLXYRYFZCSOLE-UHFFFAOYSA-N 1 3 303.472 0.179 20 0 DCADHO CC[NH+]1CCC(CN2CC3(CN(COCCOC)C3)C2)CC1 ZINC001276497056 944192849 /nfs/dbraw/zinc/19/28/49/944192849.db2.gz QVZFUACEWJKZID-UHFFFAOYSA-N 1 3 311.470 0.956 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1cnn(C)c1 ZINC001485916355 944401874 /nfs/dbraw/zinc/40/18/74/944401874.db2.gz PEVSZZHAGSASHA-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277355617 944781649 /nfs/dbraw/zinc/78/16/49/944781649.db2.gz KYIMDHCIUYOUAG-STQMWFEESA-N 1 3 308.430 0.141 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277355617 944781657 /nfs/dbraw/zinc/78/16/57/944781657.db2.gz KYIMDHCIUYOUAG-STQMWFEESA-N 1 3 308.430 0.141 20 0 DCADHO CC(C)N(CCN(C)CCCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486369834 944841171 /nfs/dbraw/zinc/84/11/71/944841171.db2.gz OCKCPGMEVRHKJB-INIZCTEOSA-N 1 3 311.470 0.879 20 0 DCADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(CCn4ccnc4)CC3)[C@@H]2C1 ZINC001277544659 944873147 /nfs/dbraw/zinc/87/31/47/944873147.db2.gz MQIKELNLELGFRN-ZIAGYGMSSA-N 1 3 303.410 0.025 20 0 DCADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(CCn4ccnc4)CC3)[C@@H]2C1 ZINC001277544659 944873156 /nfs/dbraw/zinc/87/31/56/944873156.db2.gz MQIKELNLELGFRN-ZIAGYGMSSA-N 1 3 303.410 0.025 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317433248 944969055 /nfs/dbraw/zinc/96/90/55/944969055.db2.gz CELUFIVDOAMOEJ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)CN1CC[C@H](C)C1 ZINC001317433248 944969057 /nfs/dbraw/zinc/96/90/57/944969057.db2.gz CELUFIVDOAMOEJ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(CNC(=O)[C@@]23C[C@@H]2CCN3CC2CC[NH2+]CC2)no1 ZINC001277821048 944994476 /nfs/dbraw/zinc/99/44/76/944994476.db2.gz BUBWBPRYGCVSFG-XJKSGUPXSA-N 1 3 319.409 0.458 20 0 DCADHO CCOC(=O)CCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277876890 945018626 /nfs/dbraw/zinc/01/86/26/945018626.db2.gz CPWDHNPLLKXWGG-ZIAGYGMSSA-N 1 3 323.437 0.472 20 0 DCADHO CCOC(=O)CCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277876890 945018636 /nfs/dbraw/zinc/01/86/36/945018636.db2.gz CPWDHNPLLKXWGG-ZIAGYGMSSA-N 1 3 323.437 0.472 20 0 DCADHO NC[C@H]1C[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@@H]1O ZINC001246579529 945435871 /nfs/dbraw/zinc/43/58/71/945435871.db2.gz FJNRVZJFSHMEIV-BBWFWOEESA-N 1 3 317.433 0.933 20 0 DCADHO NC[C@H]1C[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C[C@@H]1O ZINC001246579529 945435875 /nfs/dbraw/zinc/43/58/75/945435875.db2.gz FJNRVZJFSHMEIV-BBWFWOEESA-N 1 3 317.433 0.933 20 0 DCADHO COC(=O)N1CCC(N2CCNC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246622180 945443834 /nfs/dbraw/zinc/44/38/34/945443834.db2.gz FWUXMTYKNUOPBG-INIZCTEOSA-N 1 3 310.442 0.635 20 0 DCADHO c1cc(CN2CCC(N3CCN[C@@]4(CC[NH2+]C4)C3)CC2)ccn1 ZINC001246640334 945452169 /nfs/dbraw/zinc/45/21/69/945452169.db2.gz FXVMCUPRJWBGJS-GOSISDBHSA-N 1 3 315.465 0.683 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)CCN1 ZINC001246684138 945460734 /nfs/dbraw/zinc/46/07/34/945460734.db2.gz KTKQYHLKVXURDG-SOXILONMSA-N 1 3 323.437 0.123 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)CCN1 ZINC001246684138 945460738 /nfs/dbraw/zinc/46/07/38/945460738.db2.gz KTKQYHLKVXURDG-SOXILONMSA-N 1 3 323.437 0.123 20 0 DCADHO COC[C@@H](O)C[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001318917190 945463536 /nfs/dbraw/zinc/46/35/36/945463536.db2.gz LQNNOHWAZWIJFS-HNNXBMFYSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246712993 945470471 /nfs/dbraw/zinc/47/04/71/945470471.db2.gz FUZDFHPGLZKZIY-OLMNGRFOSA-N 1 3 324.469 0.735 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)CCN1 ZINC001246712993 945470479 /nfs/dbraw/zinc/47/04/79/945470479.db2.gz FUZDFHPGLZKZIY-OLMNGRFOSA-N 1 3 324.469 0.735 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CCN1 ZINC001246738967 945478943 /nfs/dbraw/zinc/47/89/43/945478943.db2.gz HZEBJMMPJKDMSF-BTAUDXDXSA-N 1 3 307.438 0.885 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)CCN1 ZINC001246738967 945478949 /nfs/dbraw/zinc/47/89/49/945478949.db2.gz HZEBJMMPJKDMSF-BTAUDXDXSA-N 1 3 307.438 0.885 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CCN1 ZINC001246745500 945482155 /nfs/dbraw/zinc/48/21/55/945482155.db2.gz PAHFXESOPVIVBJ-DNMXQMFDSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CCN1 ZINC001246745500 945482159 /nfs/dbraw/zinc/48/21/59/945482159.db2.gz PAHFXESOPVIVBJ-DNMXQMFDSA-N 1 3 321.465 0.992 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[N@H+](C3CCNCC3)C[C@@H]2C1 ZINC001246765778 945486073 /nfs/dbraw/zinc/48/60/73/945486073.db2.gz KSKUHTULXMEWGO-GASCZTMLSA-N 1 3 300.406 0.837 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[N@@H+](C3CCNCC3)C[C@@H]2C1 ZINC001246765778 945486080 /nfs/dbraw/zinc/48/60/80/945486080.db2.gz KSKUHTULXMEWGO-GASCZTMLSA-N 1 3 300.406 0.837 20 0 DCADHO CCOCC[N@H+](C1CCNCC1)[C@H]1CCN[C@H](C(=O)OC)C1 ZINC001246949745 945525269 /nfs/dbraw/zinc/52/52/69/945525269.db2.gz LGARHSYSQCKWPJ-GJZGRUSLSA-N 1 3 313.442 0.371 20 0 DCADHO CCOCC[N@@H+](C1CCNCC1)[C@H]1CCN[C@H](C(=O)OC)C1 ZINC001246949745 945525272 /nfs/dbraw/zinc/52/52/72/945525272.db2.gz LGARHSYSQCKWPJ-GJZGRUSLSA-N 1 3 313.442 0.371 20 0 DCADHO c1cn(-c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)cn1 ZINC001247852863 945580181 /nfs/dbraw/zinc/58/01/81/945580181.db2.gz VBNIIOLCFUIHLD-UHFFFAOYSA-N 1 3 322.372 0.983 20 0 DCADHO CCCCN1CCC([N@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC001251024825 945710691 /nfs/dbraw/zinc/71/06/91/945710691.db2.gz XLFSPXQEMSZWJP-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)CN2CCOCC2)CC1 ZINC001251024825 945710695 /nfs/dbraw/zinc/71/06/95/945710695.db2.gz XLFSPXQEMSZWJP-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO CC[C@H](C(=O)N(C)CCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001410023964 945737344 /nfs/dbraw/zinc/73/73/44/945737344.db2.gz PRIYYKTZHLJTQI-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCn1cncn1 ZINC001273203019 945789833 /nfs/dbraw/zinc/78/98/33/945789833.db2.gz GNJCOHHPJSFHPD-HUUCEWRRSA-N 1 3 322.457 0.637 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001320414695 945865919 /nfs/dbraw/zinc/86/59/19/945865919.db2.gz KFFNEUMGJYRTIT-LSDHHAIUSA-N 1 3 322.457 0.635 20 0 DCADHO COc1ccccc1OC[C@@H](O)CNCCC[N@H+](C)CCO ZINC001252915711 946028194 /nfs/dbraw/zinc/02/81/94/946028194.db2.gz YAZPUOKOPNZQFK-AWEZNQCLSA-N 1 3 312.410 0.339 20 0 DCADHO COc1ccccc1OC[C@@H](O)CNCCC[N@@H+](C)CCO ZINC001252915711 946028209 /nfs/dbraw/zinc/02/82/09/946028209.db2.gz YAZPUOKOPNZQFK-AWEZNQCLSA-N 1 3 312.410 0.339 20 0 DCADHO O=C1CC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252944662 946037757 /nfs/dbraw/zinc/03/77/57/946037757.db2.gz SXFZNBBRBRKNSN-WBVHZDCISA-N 1 3 303.406 0.492 20 0 DCADHO O=C1CC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252944662 946037766 /nfs/dbraw/zinc/03/77/66/946037766.db2.gz SXFZNBBRBRKNSN-WBVHZDCISA-N 1 3 303.406 0.492 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001410229462 946066334 /nfs/dbraw/zinc/06/63/34/946066334.db2.gz JDNVEOUAYPLGGY-SYQHCUMBSA-N 1 3 310.442 0.219 20 0 DCADHO CC1CCN(CC(=O)NC/C=C/C[NH2+]CCn2cncn2)CC1 ZINC001321306274 946267040 /nfs/dbraw/zinc/26/70/40/946267040.db2.gz VCTBANLJFDENGV-NSCUHMNNSA-N 1 3 320.441 0.272 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCCOC1)CC2 ZINC001254381379 946374484 /nfs/dbraw/zinc/37/44/84/946374484.db2.gz UTIRGPFYYVGWGV-INIZCTEOSA-N 1 3 319.449 0.990 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCCOC1)CC2 ZINC001254381379 946374490 /nfs/dbraw/zinc/37/44/90/946374490.db2.gz UTIRGPFYYVGWGV-INIZCTEOSA-N 1 3 319.449 0.990 20 0 DCADHO C[N@@H+]1CCC[C@H](N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC1 ZINC001254518153 946404501 /nfs/dbraw/zinc/40/45/01/946404501.db2.gz KSDSAKAZLYSGMT-XHSDSOJGSA-N 1 3 317.437 0.850 20 0 DCADHO C[N@H+]1CCC[C@H](N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC1 ZINC001254518153 946404506 /nfs/dbraw/zinc/40/45/06/946404506.db2.gz KSDSAKAZLYSGMT-XHSDSOJGSA-N 1 3 317.437 0.850 20 0 DCADHO CCS(=O)(=O)N(C1CC[NH2+]CC1)[C@H]1CCCN(C)CC1 ZINC001254529427 946406543 /nfs/dbraw/zinc/40/65/43/946406543.db2.gz FOFNIUXAGXMHGK-ZDUSSCGKSA-N 1 3 303.472 0.874 20 0 DCADHO O=C1CC2(CCN([C@H]3CC4CC[NH+](CC4)C3)CC2)CC(=O)N1 ZINC001254859475 946440350 /nfs/dbraw/zinc/44/03/50/946440350.db2.gz DVDJKTICNLDNDV-AWEZNQCLSA-N 1 3 305.422 0.990 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCc1ccnn1C)[NH+](C)C ZINC001410475329 946464331 /nfs/dbraw/zinc/46/43/31/946464331.db2.gz OOMXHAMJDDVEBJ-UKRRQHHQSA-N 1 3 309.458 0.943 20 0 DCADHO C[N@@H+]1CC[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001255434248 946510536 /nfs/dbraw/zinc/51/05/36/946510536.db2.gz OVENSUSSIOOZPO-LBPRGKRZSA-N 1 3 303.410 0.545 20 0 DCADHO C[N@H+]1CC[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)C1 ZINC001255434248 946510542 /nfs/dbraw/zinc/51/05/42/946510542.db2.gz OVENSUSSIOOZPO-LBPRGKRZSA-N 1 3 303.410 0.545 20 0 DCADHO CCC[N@H+]1C[C@H]2CN([C@@H](C)CC(=O)N3CCOCC3)C[C@H]2C1 ZINC001256350301 946621881 /nfs/dbraw/zinc/62/18/81/946621881.db2.gz TVMJHECNLNRMLJ-HRCADAONSA-N 1 3 309.454 0.897 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN([C@@H](C)CC(=O)N3CCOCC3)C[C@H]2C1 ZINC001256350301 946621887 /nfs/dbraw/zinc/62/18/87/946621887.db2.gz TVMJHECNLNRMLJ-HRCADAONSA-N 1 3 309.454 0.897 20 0 DCADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001256350301 946621896 /nfs/dbraw/zinc/62/18/96/946621896.db2.gz TVMJHECNLNRMLJ-HRCADAONSA-N 1 3 309.454 0.897 20 0 DCADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CC(=O)N3CCOCC3)C[C@@H]2C1 ZINC001256350301 946621903 /nfs/dbraw/zinc/62/19/03/946621903.db2.gz TVMJHECNLNRMLJ-HRCADAONSA-N 1 3 309.454 0.897 20 0 DCADHO OCCOCCOCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679125 946653079 /nfs/dbraw/zinc/65/30/79/946653079.db2.gz DTECMCUYVJZOPJ-UHFFFAOYSA-N 1 3 316.442 0.245 20 0 DCADHO O=c1[nH][nH]cc1CCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678551 946653338 /nfs/dbraw/zinc/65/33/38/946653338.db2.gz NRTBRUDSJHOHGA-WLYUNCDWSA-N 1 3 308.426 0.731 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001322442429 946679121 /nfs/dbraw/zinc/67/91/21/946679121.db2.gz LPYBHQVUCQZFAU-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCC(N([C@H]2CCC[NH2+]C2)S(C)(=O)=O)CC1 ZINC001257224177 946708467 /nfs/dbraw/zinc/70/84/67/946708467.db2.gz QZMSELRAXCXYQS-AWEZNQCLSA-N 1 3 303.472 0.873 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]C[C@@H](O)COC)C(C)(C)C1 ZINC001411091514 947319638 /nfs/dbraw/zinc/31/96/38/947319638.db2.gz HTMQXMQDMZMBGZ-KGLIPLIRSA-N 1 3 315.458 0.162 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001324565589 947459349 /nfs/dbraw/zinc/45/93/49/947459349.db2.gz WVKKDYDLMOOGEY-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)NCC1CC(NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001411327649 947742660 /nfs/dbraw/zinc/74/26/60/947742660.db2.gz QMDXCLAVVVYLDA-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179471813 947849592 /nfs/dbraw/zinc/84/95/92/947849592.db2.gz CFLNSSODCQUNNT-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001487909674 948352901 /nfs/dbraw/zinc/35/29/01/948352901.db2.gz PVGXXUFLEVZXHJ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001488582533 948957566 /nfs/dbraw/zinc/95/75/66/948957566.db2.gz UYOLLKWZVLKWFT-JXQTWKCFSA-N 1 3 312.458 0.384 20 0 DCADHO CC1CC(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001328625765 948996715 /nfs/dbraw/zinc/99/67/15/948996715.db2.gz DSUBBVTXWWSVLC-UHFFFAOYSA-N 1 3 312.458 0.101 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)C1 ZINC001265181382 949414540 /nfs/dbraw/zinc/41/45/40/949414540.db2.gz YYXJSDCAQQMCAL-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)C1 ZINC001265181382 949414554 /nfs/dbraw/zinc/41/45/54/949414554.db2.gz YYXJSDCAQQMCAL-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCO)[C@H]2C1(C)C ZINC001489083433 949479401 /nfs/dbraw/zinc/47/94/01/949479401.db2.gz ALBNRGKYPSPEPT-FVQBIDKESA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCO)[C@H]2C1(C)C ZINC001489083433 949479408 /nfs/dbraw/zinc/47/94/08/949479408.db2.gz ALBNRGKYPSPEPT-FVQBIDKESA-N 1 3 311.470 0.926 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001265458419 949703342 /nfs/dbraw/zinc/70/33/42/949703342.db2.gz WGVGLXZHQJNTOP-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCNC(=O)C1CC1 ZINC001265808410 949960011 /nfs/dbraw/zinc/96/00/11/949960011.db2.gz DEQMCQSIJXQUJL-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C)CCNC(=O)C1CC1 ZINC001265815183 949969657 /nfs/dbraw/zinc/96/96/57/949969657.db2.gz RCQFYWFKNGZJHL-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCNC(=O)C1CC1 ZINC001265815183 949969678 /nfs/dbraw/zinc/96/96/78/949969678.db2.gz RCQFYWFKNGZJHL-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCNC1=O ZINC001265865328 950053535 /nfs/dbraw/zinc/05/35/35/950053535.db2.gz YHNMVMHFVQJZQA-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CCCNC1=O ZINC001265865328 950053557 /nfs/dbraw/zinc/05/35/57/950053557.db2.gz YHNMVMHFVQJZQA-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CCc2cnn(C)c2)C1 ZINC001265923782 950146879 /nfs/dbraw/zinc/14/68/79/950146879.db2.gz WIVHYGGHFWOTEH-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CCc2cnn(C)c2)C1 ZINC001265923782 950146889 /nfs/dbraw/zinc/14/68/89/950146889.db2.gz WIVHYGGHFWOTEH-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H](C)C(=O)N(C)C ZINC001266028020 950273238 /nfs/dbraw/zinc/27/32/38/950273238.db2.gz GKHISWXMWNKPIF-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H](C)C(=O)N(C)C ZINC001266028020 950273247 /nfs/dbraw/zinc/27/32/47/950273247.db2.gz GKHISWXMWNKPIF-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](CCn1cncn1)C1CC1 ZINC001266125544 950398217 /nfs/dbraw/zinc/39/82/17/950398217.db2.gz FBUWLPAMZOZZBL-HNNXBMFYSA-N 1 3 320.441 0.343 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](CCn1cncn1)C1CC1 ZINC001266125544 950398238 /nfs/dbraw/zinc/39/82/38/950398238.db2.gz FBUWLPAMZOZZBL-HNNXBMFYSA-N 1 3 320.441 0.343 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H](C)C(=O)NC1CC1 ZINC001490318823 950565383 /nfs/dbraw/zinc/56/53/83/950565383.db2.gz RZKIUQFCVTYEAF-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H](C)C(=O)NC1CC1 ZINC001490318823 950565399 /nfs/dbraw/zinc/56/53/99/950565399.db2.gz RZKIUQFCVTYEAF-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001280000593 950752452 /nfs/dbraw/zinc/75/24/52/950752452.db2.gz WIDCZWRMJLZZMZ-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N1CCCCC1 ZINC001441599210 951238455 /nfs/dbraw/zinc/23/84/55/951238455.db2.gz UZCGGWHJHZYDKU-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO COCC[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCOCC1 ZINC001274001789 951313345 /nfs/dbraw/zinc/31/33/45/951313345.db2.gz BOZATGQUINYYEB-CQSZACIVSA-N 1 3 313.442 0.230 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)C1CCC1 ZINC001365815437 951575632 /nfs/dbraw/zinc/57/56/32/951575632.db2.gz YCIKFHWLBREWCA-OKILXGFUSA-N 1 3 320.441 0.247 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001365818252 951578337 /nfs/dbraw/zinc/57/83/37/951578337.db2.gz IPXLWXBLCMXAKN-RQJABVFESA-N 1 3 310.442 0.042 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCCF)CC1 ZINC001274502261 951667319 /nfs/dbraw/zinc/66/73/19/951667319.db2.gz SUTOTJQDJRVMAB-ZDUSSCGKSA-N 1 3 301.406 0.383 20 0 DCADHO COCC[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001274527909 951679470 /nfs/dbraw/zinc/67/94/70/951679470.db2.gz CXQNPJOSYWMLBY-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO CCc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCO ZINC001446934589 1013112174 /nfs/dbraw/zinc/11/21/74/1013112174.db2.gz DRZKNBOIMLYTCP-WBVHZDCISA-N 1 3 319.449 0.940 20 0 DCADHO CCc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCO ZINC001446934589 1013112180 /nfs/dbraw/zinc/11/21/80/1013112180.db2.gz DRZKNBOIMLYTCP-WBVHZDCISA-N 1 3 319.449 0.940 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(CCCc3cccnc3)C[C@@H]21 ZINC001274970666 951913108 /nfs/dbraw/zinc/91/31/08/951913108.db2.gz XHVWKCTYBQFJOA-ROUUACIJSA-N 1 3 318.465 0.961 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001274991338 951922915 /nfs/dbraw/zinc/92/29/15/951922915.db2.gz GRJGMEVZRDFXFQ-UKRRQHHQSA-N 1 3 309.458 0.643 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)CCn1cncn1 ZINC001316870129 952180842 /nfs/dbraw/zinc/18/08/42/952180842.db2.gz MUGNCQZYHILKQN-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)CCn1cncn1 ZINC001316870129 952180846 /nfs/dbraw/zinc/18/08/46/952180846.db2.gz MUGNCQZYHILKQN-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO C[NH+](C)CCN1CCC2(CN(Cc3c[nH]c4nccnc34)C2)C1 ZINC001275505008 952205104 /nfs/dbraw/zinc/20/51/04/952205104.db2.gz IKSWNTHBMJODIW-UHFFFAOYSA-N 1 3 314.437 0.979 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001334072846 952235532 /nfs/dbraw/zinc/23/55/32/952235532.db2.gz RLQODFGCWHKWRO-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NC/C=C\CO)CC2)CC1 ZINC001334528556 952337156 /nfs/dbraw/zinc/33/71/56/952337156.db2.gz UJHAHLWWOQFYGQ-ARJAWSKDSA-N 1 3 309.454 0.847 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001446467292 952449519 /nfs/dbraw/zinc/44/95/19/952449519.db2.gz PVMBZBYFSTUURW-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001446467292 952449523 /nfs/dbraw/zinc/44/95/23/952449523.db2.gz PVMBZBYFSTUURW-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001412208087 952694823 /nfs/dbraw/zinc/69/48/23/952694823.db2.gz MOIRTXQVXBYRNU-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001412208087 952694830 /nfs/dbraw/zinc/69/48/30/952694830.db2.gz MOIRTXQVXBYRNU-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001412216083 952698902 /nfs/dbraw/zinc/69/89/02/952698902.db2.gz NDPDYOXVMKYYBR-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001412216083 952698904 /nfs/dbraw/zinc/69/89/04/952698904.db2.gz NDPDYOXVMKYYBR-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC12CC2 ZINC001336610385 952737099 /nfs/dbraw/zinc/73/70/99/952737099.db2.gz CIUHXOZBASUKMZ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)C[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)C ZINC001336756500 952762195 /nfs/dbraw/zinc/76/21/95/952762195.db2.gz OVCYLBNBINWJMJ-JKSUJKDBSA-N 1 3 300.491 0.161 20 0 DCADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)OCc1ccccc1 ZINC001338448602 953013120 /nfs/dbraw/zinc/01/31/20/953013120.db2.gz PYPBHRQBIBKECR-MRXNPFEDSA-N 1 3 321.421 0.959 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001338507069 953023447 /nfs/dbraw/zinc/02/34/47/953023447.db2.gz VLJJXVKCUOAGQG-OAHLLOKOSA-N 1 3 313.348 0.950 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001338507069 953023452 /nfs/dbraw/zinc/02/34/52/953023452.db2.gz VLJJXVKCUOAGQG-OAHLLOKOSA-N 1 3 313.348 0.950 20 0 DCADHO CCN1CCN(CCCNC(=O)C2(C3CC[NH2+]CC3)CC2)CC1 ZINC001343451191 953346764 /nfs/dbraw/zinc/34/67/64/953346764.db2.gz ATCFREFHSAVVMF-UHFFFAOYSA-N 1 3 322.497 0.910 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001366038172 953611923 /nfs/dbraw/zinc/61/19/23/953611923.db2.gz QQIZUJDFQDISQH-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCC3=O)C2)CCC1 ZINC001366146171 953741272 /nfs/dbraw/zinc/74/12/72/953741272.db2.gz AEPDCBCDKXBSCH-OKILXGFUSA-N 1 3 322.453 0.330 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001366147660 953742606 /nfs/dbraw/zinc/74/26/06/953742606.db2.gz RNBYTFBTVNFVKR-LJISPDSOSA-N 1 3 313.442 0.103 20 0 DCADHO Cc1ccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)nn1 ZINC001414095643 953827057 /nfs/dbraw/zinc/82/70/57/953827057.db2.gz BUMPQDYQWQQNOC-UHFFFAOYSA-N 1 3 319.453 0.671 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21)N(C)C ZINC001366235691 953876572 /nfs/dbraw/zinc/87/65/72/953876572.db2.gz NEYZUDCNXKUMJE-LJIZCISZSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21)N(C)C ZINC001366235691 953876589 /nfs/dbraw/zinc/87/65/89/953876589.db2.gz NEYZUDCNXKUMJE-LJIZCISZSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CCCC1 ZINC001366286461 953961154 /nfs/dbraw/zinc/96/11/54/953961154.db2.gz LZYAMPNGOLZBEQ-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001283119550 954028054 /nfs/dbraw/zinc/02/80/54/954028054.db2.gz ZKAAIDXWGICGFW-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001366365439 954104139 /nfs/dbraw/zinc/10/41/39/954104139.db2.gz WNMKUVVERMRNOU-JQWIXIFHSA-N 1 3 317.397 0.134 20 0 DCADHO CC[C@H](C(=O)NCC[N@H+](C)C[C@H]1CCNC(=O)CC1)N(C)C ZINC001366583504 954462286 /nfs/dbraw/zinc/46/22/86/954462286.db2.gz LZTFGWOWQOJIKM-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCC[N@@H+](C)C[C@H]1CCNC(=O)CC1)N(C)C ZINC001366583504 954462289 /nfs/dbraw/zinc/46/22/89/954462289.db2.gz LZTFGWOWQOJIKM-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CCCN1C ZINC001283637396 954504337 /nfs/dbraw/zinc/50/43/37/954504337.db2.gz XLVXCEXJNDSWOP-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001366765080 954801954 /nfs/dbraw/zinc/80/19/54/954801954.db2.gz DHTJBSNGDTUFTJ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001366765080 954801965 /nfs/dbraw/zinc/80/19/65/954801965.db2.gz DHTJBSNGDTUFTJ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CCC[NH+]1CCCC1 ZINC001366776286 954824207 /nfs/dbraw/zinc/82/42/07/954824207.db2.gz SWHJLELSKZQNSH-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H](C)C(=O)NC ZINC001367146902 955397830 /nfs/dbraw/zinc/39/78/30/955397830.db2.gz BWANYQXXJDSKAU-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001367323734 955644646 /nfs/dbraw/zinc/64/46/46/955644646.db2.gz KKLLTSXNISXQNA-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001353329961 956023459 /nfs/dbraw/zinc/02/34/59/956023459.db2.gz TUBQBASJPSBKIX-BETUJISGSA-N 1 3 310.442 0.173 20 0 DCADHO COc1ccc([C@@H](CNC(=O)CNCC[NH3+])N2CCCC2)cc1 ZINC001357325763 957248740 /nfs/dbraw/zinc/24/87/40/957248740.db2.gz DBNSQUUVEBUSTR-MRXNPFEDSA-N 1 3 320.437 0.497 20 0 DCADHO C[C@@H]([NH3+])CO[N-]C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001357874915 957395546 /nfs/dbraw/zinc/39/55/46/957395546.db2.gz RKCOTIZHTHYUCN-CYBMUJFWSA-N 1 3 309.410 0.955 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367390475 957757067 /nfs/dbraw/zinc/75/70/67/957757067.db2.gz XBNIBGAJHZQXAK-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496081797 957837183 /nfs/dbraw/zinc/83/71/83/957837183.db2.gz WVXOJPGYBDNSAL-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001496081797 957837195 /nfs/dbraw/zinc/83/71/95/957837195.db2.gz WVXOJPGYBDNSAL-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O)N1CCCCC1 ZINC001367567070 958060054 /nfs/dbraw/zinc/06/00/54/958060054.db2.gz WNOIZLHAGAFJSN-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001367579757 958102954 /nfs/dbraw/zinc/10/29/54/958102954.db2.gz JTRJTLZNZDOSMG-UONOGXRCSA-N 1 3 315.458 0.353 20 0 DCADHO C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)c1cn2c(n1)CCCC2 ZINC001367674065 958329835 /nfs/dbraw/zinc/32/98/35/958329835.db2.gz DJCVHMJRKJBSKP-GFCCVEGCSA-N 1 3 316.409 0.861 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)c2nn(C)cc2C)C1=O ZINC001367674096 958330174 /nfs/dbraw/zinc/33/01/74/958330174.db2.gz XJIDRQSMWISSSR-NEPJUHHUSA-N 1 3 307.398 0.057 20 0 DCADHO Cc1nnc(CC(=O)N[C@H](C)C[NH2+]Cc2cnc(C)nc2)[nH]1 ZINC001367673558 958332408 /nfs/dbraw/zinc/33/24/08/958332408.db2.gz TYLBCGRWXFRZSR-SECBINFHSA-N 1 3 303.370 0.049 20 0 DCADHO Cc1nc(CC(=O)N[C@H](C)C[NH2+]Cc2cnc(C)nc2)n[nH]1 ZINC001367673558 958332439 /nfs/dbraw/zinc/33/24/39/958332439.db2.gz TYLBCGRWXFRZSR-SECBINFHSA-N 1 3 303.370 0.049 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)c1sccc1CN(C)C ZINC001367674407 958332583 /nfs/dbraw/zinc/33/25/83/958332583.db2.gz HCDQUVHWUVUGJU-NXEZZACHSA-N 1 3 312.439 0.391 20 0 DCADHO CCc1c(C(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O)cnn1CC(C)C ZINC001367673531 958332623 /nfs/dbraw/zinc/33/26/23/958332623.db2.gz SZJZAYIKFFMMKB-VXGBXAGGSA-N 1 3 323.441 0.683 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001367678635 958342682 /nfs/dbraw/zinc/34/26/82/958342682.db2.gz XLFFNLBVXHVJCZ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001367678635 958342693 /nfs/dbraw/zinc/34/26/93/958342693.db2.gz XLFFNLBVXHVJCZ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001367694177 958383070 /nfs/dbraw/zinc/38/30/70/958383070.db2.gz BFMWXYPFHSLFET-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001430151787 1013175923 /nfs/dbraw/zinc/17/59/23/1013175923.db2.gz LIVNWIWTPUEWFA-HDJSIYSDSA-N 1 3 312.458 0.430 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001430151787 1013175928 /nfs/dbraw/zinc/17/59/28/1013175928.db2.gz LIVNWIWTPUEWFA-HDJSIYSDSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001367741054 958478023 /nfs/dbraw/zinc/47/80/23/958478023.db2.gz UXUZUOCVKZDGSR-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367750677 958495829 /nfs/dbraw/zinc/49/58/29/958495829.db2.gz ZLSBGWTVWUTYHK-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367752602 958499819 /nfs/dbraw/zinc/49/98/19/958499819.db2.gz GWJZEVIIZMBFET-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367752602 958499829 /nfs/dbraw/zinc/49/98/29/958499829.db2.gz GWJZEVIIZMBFET-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO COc1coc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001367771481 958540216 /nfs/dbraw/zinc/54/02/16/958540216.db2.gz IWEJLZFNMXOHID-RYUDHWBXSA-N 1 3 323.393 0.194 20 0 DCADHO COc1coc(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001367771481 958540230 /nfs/dbraw/zinc/54/02/30/958540230.db2.gz IWEJLZFNMXOHID-RYUDHWBXSA-N 1 3 323.393 0.194 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)CCC[NH+]2CCCC2)C1=O ZINC001367775878 958554528 /nfs/dbraw/zinc/55/45/28/958554528.db2.gz JLSGONLXZSYIDR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1cc(CNC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC2)cn1 ZINC001376811750 958899654 /nfs/dbraw/zinc/89/96/54/958899654.db2.gz WUHLJXAHVNWNAT-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1cc(CNC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC2)cn1 ZINC001376811750 958899658 /nfs/dbraw/zinc/89/96/58/958899658.db2.gz WUHLJXAHVNWNAT-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N[C@@H](C)C(N)=O ZINC001376822918 958922261 /nfs/dbraw/zinc/92/22/61/958922261.db2.gz OTLOYVFZWGXJBY-NEPJUHHUSA-N 1 3 306.410 0.330 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001491637417 958987697 /nfs/dbraw/zinc/98/76/97/958987697.db2.gz JWVUKIHAKDQFEA-TZMCWYRMSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001491637417 958987706 /nfs/dbraw/zinc/98/77/06/958987706.db2.gz JWVUKIHAKDQFEA-TZMCWYRMSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N[C@@H](C)C1CC1 ZINC001491643065 959002744 /nfs/dbraw/zinc/00/27/44/959002744.db2.gz WYRYPJITAHBAJI-STQMWFEESA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCN2CCCC2=O)CC1)N(C)C ZINC001368005181 959073274 /nfs/dbraw/zinc/07/32/74/959073274.db2.gz BCERAWNYRZGXQZ-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001491829674 959275164 /nfs/dbraw/zinc/27/51/64/959275164.db2.gz PNDVWQSWEUSQBL-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC001491859109 959316478 /nfs/dbraw/zinc/31/64/78/959316478.db2.gz POXXKYWRTMXYET-AWEZNQCLSA-N 1 3 307.442 0.698 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001491811223 959322933 /nfs/dbraw/zinc/32/29/33/959322933.db2.gz CFDSOTCTMTVGPS-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001491895504 959364985 /nfs/dbraw/zinc/36/49/85/959364985.db2.gz VAEOBCRPXLTBTQ-LSDHHAIUSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001368162004 959372626 /nfs/dbraw/zinc/37/26/26/959372626.db2.gz HOQSWYUDPDKLQM-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)nn1C ZINC001492128597 959609463 /nfs/dbraw/zinc/60/94/63/959609463.db2.gz YGUDVGQJTHBXLI-OCCSQVGLSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1C ZINC001492128597 959609473 /nfs/dbraw/zinc/60/94/73/959609473.db2.gz YGUDVGQJTHBXLI-OCCSQVGLSA-N 1 3 307.442 0.665 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001368346914 959707285 /nfs/dbraw/zinc/70/72/85/959707285.db2.gz FRWOVRWLTDLUFZ-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001377329138 959928892 /nfs/dbraw/zinc/92/88/92/959928892.db2.gz UKURNHVCBVIQSK-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001377329138 959928904 /nfs/dbraw/zinc/92/89/04/959928904.db2.gz UKURNHVCBVIQSK-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCc1ccnn1C ZINC001377515748 960213821 /nfs/dbraw/zinc/21/38/21/960213821.db2.gz BXSFGTSFWPAGEU-LBPRGKRZSA-N 1 3 318.425 0.721 20 0 DCADHO Cc1nccnc1CN[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001368740668 960216077 /nfs/dbraw/zinc/21/60/77/960216077.db2.gz FOBNAKNEHQTHFE-ZDUSSCGKSA-N 1 3 317.437 0.865 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001368744452 960220134 /nfs/dbraw/zinc/22/01/34/960220134.db2.gz QQXMGQPWGZJMQO-MELADBBJSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001368824108 960323566 /nfs/dbraw/zinc/32/35/66/960323566.db2.gz UHBWLUMNUBVLEB-RUXDESIVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377597357 960339008 /nfs/dbraw/zinc/33/90/08/960339008.db2.gz JMNOQTSSXKHVIU-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377597357 960339017 /nfs/dbraw/zinc/33/90/17/960339017.db2.gz JMNOQTSSXKHVIU-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCn1cccn1 ZINC001368839822 960341273 /nfs/dbraw/zinc/34/12/73/960341273.db2.gz KIYKIKOPRMCNAK-UONOGXRCSA-N 1 3 307.442 0.850 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377599466 960343014 /nfs/dbraw/zinc/34/30/14/960343014.db2.gz ASZBNHOGAKHPGN-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC001363156481 960499564 /nfs/dbraw/zinc/49/95/64/960499564.db2.gz JPCPXBTZDRIBJY-XUWVNRHRSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001377737723 960533715 /nfs/dbraw/zinc/53/37/15/960533715.db2.gz WJOSVBLPXHKJSH-UXUKBGGZSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001377813924 960720937 /nfs/dbraw/zinc/72/09/37/960720937.db2.gz IPRBKIMCQZTOIN-STQMWFEESA-N 1 3 320.437 0.372 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001377902288 960941103 /nfs/dbraw/zinc/94/11/03/960941103.db2.gz BWABHFDXQOJJRZ-NWDGAFQWSA-N 1 3 318.425 0.720 20 0 DCADHO Cn1nccc1CCN1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001378649534 961193212 /nfs/dbraw/zinc/19/32/12/961193212.db2.gz GCGLKYOXMXRDGG-HNNXBMFYSA-N 1 3 321.469 0.741 20 0 DCADHO CS(=O)(=O)C1(C(=O)Nc2ccc3c(c2)CNC3)CC[NH2+]CC1 ZINC001549045649 1013244783 /nfs/dbraw/zinc/24/47/83/1013244783.db2.gz KDAVREHTNBGBDO-UHFFFAOYSA-N 1 3 323.418 0.395 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)CN(C)C1CCC1 ZINC001378775716 961452333 /nfs/dbraw/zinc/45/23/33/961452333.db2.gz NCMWKYANJLVMDK-STQMWFEESA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001378818743 961540906 /nfs/dbraw/zinc/54/09/06/961540906.db2.gz WHGJXOKPLCFCOT-UONOGXRCSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@H]1CCNC1=O ZINC001378920271 961710347 /nfs/dbraw/zinc/71/03/47/961710347.db2.gz UHDAYXAZYPMGEU-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](F)CNC[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379812106 962077324 /nfs/dbraw/zinc/07/73/24/962077324.db2.gz VWJGFSMHEQPDNV-ZIAGYGMSSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1)N(C)C ZINC001430303878 1013336362 /nfs/dbraw/zinc/33/63/62/1013336362.db2.gz FUEXURZMKSFDLR-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1)N(C)C ZINC001430303878 1013336373 /nfs/dbraw/zinc/33/63/73/1013336373.db2.gz FUEXURZMKSFDLR-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCn1cc(Cl)cn1 ZINC001379240047 962436479 /nfs/dbraw/zinc/43/64/79/962436479.db2.gz HTAWMUZZXBUSRA-NSHDSACASA-N 1 3 324.816 0.939 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001379238812 962439475 /nfs/dbraw/zinc/43/94/75/962439475.db2.gz FWPGKLBKVLQHKH-MWLCHTKSSA-N 1 3 322.331 0.702 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379245690 962457579 /nfs/dbraw/zinc/45/75/79/962457579.db2.gz YWARZEJWBBVZJJ-GOEBONIOSA-N 1 3 322.453 0.543 20 0 DCADHO CC[C@H](F)CNC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001447285126 1013345121 /nfs/dbraw/zinc/34/51/21/1013345121.db2.gz ZPYLPRQLIBXJSM-KBPBESRZSA-N 1 3 315.433 0.893 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379278391 962530827 /nfs/dbraw/zinc/53/08/27/962530827.db2.gz BGOVTNMPRXNDNR-ZFWWWQNUSA-N 1 3 322.453 0.662 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001380094652 962660801 /nfs/dbraw/zinc/66/08/01/962660801.db2.gz IXRFMROOBIMVOR-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379355001 962700612 /nfs/dbraw/zinc/70/06/12/962700612.db2.gz BCJIVJGTCUTVEH-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379355001 962700627 /nfs/dbraw/zinc/70/06/27/962700627.db2.gz BCJIVJGTCUTVEH-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)(C(=O)NCC1([NH2+]CCn2cccn2)CC1)N1CCCC1 ZINC001380144716 962757351 /nfs/dbraw/zinc/75/73/51/962757351.db2.gz WPTYYARQRKETCO-UHFFFAOYSA-N 1 3 319.453 0.996 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001379431656 962908045 /nfs/dbraw/zinc/90/80/45/962908045.db2.gz LQONSZLSZRKMNJ-OLZOCXBDSA-N 1 3 320.437 0.591 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001380261298 962942463 /nfs/dbraw/zinc/94/24/63/962942463.db2.gz CCWPOWZQTDRANY-STQMWFEESA-N 1 3 321.425 0.400 20 0 DCADHO C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001379467231 962985826 /nfs/dbraw/zinc/98/58/26/962985826.db2.gz TUCFIOROPZEBIB-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CCCC1)N(C)C ZINC001380325587 963039750 /nfs/dbraw/zinc/03/97/50/963039750.db2.gz UIYURQDDOKYEFH-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC(C)C ZINC001379509676 963096811 /nfs/dbraw/zinc/09/68/11/963096811.db2.gz MFTXLWBXEOJBJS-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC(C)C ZINC001379509676 963096824 /nfs/dbraw/zinc/09/68/24/963096824.db2.gz MFTXLWBXEOJBJS-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@@H]1C ZINC001379560251 963181272 /nfs/dbraw/zinc/18/12/72/963181272.db2.gz CIHYTVKFOXWNIQ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@@H]1C ZINC001379560251 963181278 /nfs/dbraw/zinc/18/12/78/963181278.db2.gz CIHYTVKFOXWNIQ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001380427909 963190642 /nfs/dbraw/zinc/19/06/42/963190642.db2.gz ZAOHVHOCIPSNGJ-YOEHRIQHSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](CC[C@@H](C)F)C1 ZINC001380565040 963365980 /nfs/dbraw/zinc/36/59/80/963365980.db2.gz MLNKYOMMRHPOAO-UKRRQHHQSA-N 1 3 303.422 0.629 20 0 DCADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC[C@@H](C)F)C1 ZINC001380565040 963365995 /nfs/dbraw/zinc/36/59/95/963365995.db2.gz MLNKYOMMRHPOAO-UKRRQHHQSA-N 1 3 303.422 0.629 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001379700851 963402146 /nfs/dbraw/zinc/40/21/46/963402146.db2.gz VSRIXQSNYOGBPX-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001380731357 963532283 /nfs/dbraw/zinc/53/22/83/963532283.db2.gz HCWDPFKBHCKUGW-DOTOQJQBSA-N 1 3 309.454 0.680 20 0 DCADHO CC[C@H](C(=O)NCC1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001430394878 1013430374 /nfs/dbraw/zinc/43/03/74/1013430374.db2.gz BLHKNURDBGJAEW-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001380882428 963654967 /nfs/dbraw/zinc/65/49/67/963654967.db2.gz DIBKXGVTSVMMKY-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001381193867 963884501 /nfs/dbraw/zinc/88/45/01/963884501.db2.gz OHCKGAZPVVSUPX-LBPRGKRZSA-N 1 3 308.430 0.284 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1 ZINC001381338899 963980870 /nfs/dbraw/zinc/98/08/70/963980870.db2.gz NALZZOHDVHGTSS-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CC)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001375175106 964097499 /nfs/dbraw/zinc/09/74/99/964097499.db2.gz QWCQGWGWQCVBKU-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cnn(C)c2)C2CC2)CC[N@@H+]1C ZINC001375224434 964146965 /nfs/dbraw/zinc/14/69/65/964146965.db2.gz MQHQABYYCHKJRK-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cnn(C)c2)C2CC2)CC[N@H+]1C ZINC001375224434 964146976 /nfs/dbraw/zinc/14/69/76/964146976.db2.gz MQHQABYYCHKJRK-DAXOMENPSA-N 1 3 319.453 0.745 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]C[C@@H]2CCOC2)C2CC2)CCC1 ZINC001375229607 964155896 /nfs/dbraw/zinc/15/58/96/964155896.db2.gz OIEPVDDTLMMCBB-ZFWWWQNUSA-N 1 3 309.454 0.992 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C2CC2)C1=O ZINC001375277967 964199615 /nfs/dbraw/zinc/19/96/15/964199615.db2.gz RQCJWIZNPCALND-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCNC(=O)C1CC1 ZINC001368973460 964220863 /nfs/dbraw/zinc/22/08/63/964220863.db2.gz MUYJURVQQWSPOL-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001368991049 964252332 /nfs/dbraw/zinc/25/23/32/964252332.db2.gz CUQBQSNIFCVSLQ-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001368991049 964252344 /nfs/dbraw/zinc/25/23/44/964252344.db2.gz CUQBQSNIFCVSLQ-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001375411859 964367124 /nfs/dbraw/zinc/36/71/24/964367124.db2.gz IESRWDKDZMTRBT-UKRRQHHQSA-N 1 3 307.442 0.697 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001375559520 964551289 /nfs/dbraw/zinc/55/12/89/964551289.db2.gz IFLPHFSZIOKDIB-YXSUXZIUSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001373797440 964642768 /nfs/dbraw/zinc/64/27/68/964642768.db2.gz LZRDRSNFQYLNPV-IAQYHMDHSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001373797440 964642774 /nfs/dbraw/zinc/64/27/74/964642774.db2.gz LZRDRSNFQYLNPV-IAQYHMDHSA-N 1 3 316.421 0.169 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369281239 964645284 /nfs/dbraw/zinc/64/52/84/964645284.db2.gz BTRQZOPGQJQNBT-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369281239 964645292 /nfs/dbraw/zinc/64/52/92/964645292.db2.gz BTRQZOPGQJQNBT-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C[C@@H]1C ZINC001375735697 964775154 /nfs/dbraw/zinc/77/51/54/964775154.db2.gz FHJQOHFHPRJEMY-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001373913564 964778262 /nfs/dbraw/zinc/77/82/62/964778262.db2.gz XARNCWJBZZWVKS-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001375757350 964801162 /nfs/dbraw/zinc/80/11/62/964801162.db2.gz CYXFCPMZUUYACZ-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001375767866 964816652 /nfs/dbraw/zinc/81/66/52/964816652.db2.gz IZYVIHULTQGDSI-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001373974053 964840278 /nfs/dbraw/zinc/84/02/78/964840278.db2.gz XLHCCFZOENDBHK-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001369379833 964858452 /nfs/dbraw/zinc/85/84/52/964858452.db2.gz DYAJIDKDZVOGBS-GJZGRUSLSA-N 1 3 321.421 0.214 20 0 DCADHO COc1ccc(CN[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001369379833 964858459 /nfs/dbraw/zinc/85/84/59/964858459.db2.gz DYAJIDKDZVOGBS-GJZGRUSLSA-N 1 3 321.421 0.214 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN1CCC(C)CC1 ZINC001369397074 964895462 /nfs/dbraw/zinc/89/54/62/964895462.db2.gz VGCADKIUVHMKEH-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1C ZINC001369407094 964920647 /nfs/dbraw/zinc/92/06/47/964920647.db2.gz YORJANOTAWVROE-GXTWGEPZSA-N 1 3 310.442 0.184 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375876308 964952973 /nfs/dbraw/zinc/95/29/73/964952973.db2.gz XZBHLBVVSCHZQU-XJKSGUPXSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)C(C)(C)C1 ZINC001369437580 964972811 /nfs/dbraw/zinc/97/28/11/964972811.db2.gz JISXEKQPYREXRQ-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374304575 965253885 /nfs/dbraw/zinc/25/38/85/965253885.db2.gz MBHVZJCGXLEZKI-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001376156663 965300935 /nfs/dbraw/zinc/30/09/35/965300935.db2.gz DHWUJGWCYURXTG-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001376156663 965300946 /nfs/dbraw/zinc/30/09/46/965300946.db2.gz DHWUJGWCYURXTG-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@H](C)C1 ZINC001374388843 965334549 /nfs/dbraw/zinc/33/45/49/965334549.db2.gz WVJIDGLCQSHKLV-CABCVRRESA-N 1 3 322.457 0.445 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001376262653 965450876 /nfs/dbraw/zinc/45/08/76/965450876.db2.gz PDQLHRIEYULSIY-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001376262653 965450888 /nfs/dbraw/zinc/45/08/88/965450888.db2.gz PDQLHRIEYULSIY-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO CCCN1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001369895029 965534811 /nfs/dbraw/zinc/53/48/11/965534811.db2.gz NYFKGEPSJJPZPX-INIZCTEOSA-N 1 3 308.470 0.472 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NC2CC2)C1 ZINC001376342094 965546349 /nfs/dbraw/zinc/54/63/49/965546349.db2.gz ITCRDYMIDUKIIL-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@H](N[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)C1=O ZINC001376354134 965559820 /nfs/dbraw/zinc/55/98/20/965559820.db2.gz VUWRLEUEBDNMQC-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)C1CCC1 ZINC001376375245 965589119 /nfs/dbraw/zinc/58/91/19/965589119.db2.gz ZKPILHFNHHVCOX-HDJSIYSDSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@]23CCOC3)C1 ZINC001376403043 965616707 /nfs/dbraw/zinc/61/67/07/965616707.db2.gz RLIVPMSRIQXQTN-KCYZZUKISA-N 1 3 309.454 0.992 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001376411646 965627225 /nfs/dbraw/zinc/62/72/25/965627225.db2.gz YEWCAXCQIIPZJA-HDJSIYSDSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001374613399 965637734 /nfs/dbraw/zinc/63/77/34/965637734.db2.gz FCEFUOARNZWFBM-HNNXBMFYSA-N 1 3 324.400 0.272 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001376478793 965712593 /nfs/dbraw/zinc/71/25/93/965712593.db2.gz PPHINJKSZKVBRP-MCIONIFRSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C3CC3)C2)C1 ZINC001376481968 965718194 /nfs/dbraw/zinc/71/81/94/965718194.db2.gz ZUXVNICHXANLSW-MELADBBJSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001376600506 965876884 /nfs/dbraw/zinc/87/68/84/965876884.db2.gz BGXDLSXCZLZGOP-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001374811791 965965763 /nfs/dbraw/zinc/96/57/63/965965763.db2.gz TUKQDOVIWWPEHI-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001374842359 966018701 /nfs/dbraw/zinc/01/87/01/966018701.db2.gz LBDAPMDSCGCFEG-OCCSQVGLSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001374842359 966018712 /nfs/dbraw/zinc/01/87/12/966018712.db2.gz LBDAPMDSCGCFEG-OCCSQVGLSA-N 1 3 306.410 0.636 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001374849775 966030517 /nfs/dbraw/zinc/03/05/17/966030517.db2.gz PINYRJHSHWJVQK-ZIAGYGMSSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001370363685 966046870 /nfs/dbraw/zinc/04/68/70/966046870.db2.gz MUPCXMWJKYBWIW-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001370363685 966046883 /nfs/dbraw/zinc/04/68/83/966046883.db2.gz MUPCXMWJKYBWIW-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)cn1 ZINC001376741454 966103418 /nfs/dbraw/zinc/10/34/18/966103418.db2.gz BDBYSUKQCNMVOL-WFASDCNBSA-N 1 3 307.442 0.966 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001374898945 966112207 /nfs/dbraw/zinc/11/22/07/966112207.db2.gz QAAAXUGLSISCLW-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001374898945 966112225 /nfs/dbraw/zinc/11/22/25/966112225.db2.gz QAAAXUGLSISCLW-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001374933610 966155303 /nfs/dbraw/zinc/15/53/03/966155303.db2.gz MBHAMHDKHDSYIV-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001370676807 966366105 /nfs/dbraw/zinc/36/61/05/966366105.db2.gz KKBVGCTYPRCHBV-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)NC(C)(C)C ZINC001381413358 966396159 /nfs/dbraw/zinc/39/61/59/966396159.db2.gz CBNUIQRHEBDUCC-NWDGAFQWSA-N 1 3 300.447 0.336 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1)N(C)C ZINC001370717105 966411912 /nfs/dbraw/zinc/41/19/12/966411912.db2.gz ZTHRWQMHAIYKSN-XQQFMLRXSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)C[C@H]1CCc2ncnn21 ZINC001381573329 966545868 /nfs/dbraw/zinc/54/58/68/966545868.db2.gz LKUUDUUPNMKCSA-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H](NCc1cnn(C)c1)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447937941 1013660192 /nfs/dbraw/zinc/66/01/92/1013660192.db2.gz VGKDIMMMHQOLFL-CHWSQXEVSA-N 1 3 305.426 0.499 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001381633010 966598022 /nfs/dbraw/zinc/59/80/22/966598022.db2.gz WDFVVRPWSJEGJZ-CQSZACIVSA-N 1 3 322.453 0.664 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001381633010 966598029 /nfs/dbraw/zinc/59/80/29/966598029.db2.gz WDFVVRPWSJEGJZ-CQSZACIVSA-N 1 3 322.453 0.664 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001370946062 966609347 /nfs/dbraw/zinc/60/93/47/966609347.db2.gz DZEMJCGUKMMUHM-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2CNCC(N)=O)CC1 ZINC001370957551 966619549 /nfs/dbraw/zinc/61/95/49/966619549.db2.gz XJUNVPIJFMQWGH-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001430679375 1013665838 /nfs/dbraw/zinc/66/58/38/1013665838.db2.gz PGINIYCHWLNVLH-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001381921402 966782260 /nfs/dbraw/zinc/78/22/60/966782260.db2.gz UEDPFWIGSVGZDQ-QKDCVEJESA-N 1 3 309.454 0.801 20 0 DCADHO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001381921402 966782267 /nfs/dbraw/zinc/78/22/67/966782267.db2.gz UEDPFWIGSVGZDQ-QKDCVEJESA-N 1 3 309.454 0.801 20 0 DCADHO CN(C)C1(C(=O)NC2CC(N(C)C(=O)CC[NH+](C)C)C2)CCC1 ZINC001371212221 966820410 /nfs/dbraw/zinc/82/04/10/966820410.db2.gz OTTHVEHCHFSFBG-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CCCC[C@@H](N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001371261885 966856056 /nfs/dbraw/zinc/85/60/56/966856056.db2.gz MUGHYOJAKNGNPG-UONOGXRCSA-N 1 3 324.469 0.753 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382021668 966870739 /nfs/dbraw/zinc/87/07/39/966870739.db2.gz VNDMGOJMJQRGEX-GXTWGEPZSA-N 1 3 324.469 0.432 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCc1cncn1C)C1CC1 ZINC001382044442 966884863 /nfs/dbraw/zinc/88/48/63/966884863.db2.gz QSRVUEQTPHNMEZ-OAHLLOKOSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001371311737 966894506 /nfs/dbraw/zinc/89/45/06/966894506.db2.gz PQMRGNNPGCVLCZ-CYBMUJFWSA-N 1 3 320.437 0.245 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001382088304 966929656 /nfs/dbraw/zinc/92/96/56/966929656.db2.gz GCNCPIJERXKYNU-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)NCC(N)=O ZINC001382104730 966944848 /nfs/dbraw/zinc/94/48/48/966944848.db2.gz WGYKIHPYUVBNKI-GFCCVEGCSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1)NCC(N)=O ZINC001382104730 966944850 /nfs/dbraw/zinc/94/48/50/966944850.db2.gz WGYKIHPYUVBNKI-GFCCVEGCSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NC(C)(C)C ZINC001382109668 966946543 /nfs/dbraw/zinc/94/65/43/966946543.db2.gz ANOJMICWHXMSFV-GFCCVEGCSA-N 1 3 300.447 0.289 20 0 DCADHO CN(CC(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F)C1CCC1 ZINC001382214944 967076636 /nfs/dbraw/zinc/07/66/36/967076636.db2.gz QNFQSTOVQOFPDN-SNVBAGLBSA-N 1 3 311.348 0.490 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001371607828 967168345 /nfs/dbraw/zinc/16/83/45/967168345.db2.gz QQLGKOCQACDHOR-XJKSGUPXSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001382293176 967175655 /nfs/dbraw/zinc/17/56/55/967175655.db2.gz XQROEZHAEBLGFM-GXTWGEPZSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001382292990 967175855 /nfs/dbraw/zinc/17/58/55/967175855.db2.gz WNTCFAOLUJZIQD-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@H]1C ZINC001382300302 967182453 /nfs/dbraw/zinc/18/24/53/967182453.db2.gz CLRAJDAIALRFLB-HIFRSBDPSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001382354056 967253624 /nfs/dbraw/zinc/25/36/24/967253624.db2.gz QIKBDRKFOAQTKQ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]C[C@@H](O)COC)C(C)(C)C1)N(C)C ZINC001382373034 967283010 /nfs/dbraw/zinc/28/30/10/967283010.db2.gz ZXINFRGXLOPHPP-RDBSUJKOSA-N 1 3 315.458 0.161 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001382379133 967293141 /nfs/dbraw/zinc/29/31/41/967293141.db2.gz DUGGMXQGDVAMFY-STQMWFEESA-N 1 3 312.458 0.288 20 0 DCADHO Cc1ccncc1CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001382416980 967350682 /nfs/dbraw/zinc/35/06/82/967350682.db2.gz VJZIMCWOCKACIU-OAHLLOKOSA-N 1 3 308.426 0.251 20 0 DCADHO COC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001382460590 967404920 /nfs/dbraw/zinc/40/49/20/967404920.db2.gz NLLSPBPFDGZELM-UONOGXRCSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001382460590 967404925 /nfs/dbraw/zinc/40/49/25/967404925.db2.gz NLLSPBPFDGZELM-UONOGXRCSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)CC[N@H+](C)CC)CC1)N(C)C ZINC001371986806 967518509 /nfs/dbraw/zinc/51/85/09/967518509.db2.gz PYJPHWNZQGXLNI-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)CC[N@@H+](C)CC)CC1)N(C)C ZINC001371986806 967518517 /nfs/dbraw/zinc/51/85/17/967518517.db2.gz PYJPHWNZQGXLNI-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001372261336 967808244 /nfs/dbraw/zinc/80/82/44/967808244.db2.gz TZTSTOURQLVLKT-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001372261336 967808262 /nfs/dbraw/zinc/80/82/62/967808262.db2.gz TZTSTOURQLVLKT-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001430863058 1013769710 /nfs/dbraw/zinc/76/97/10/1013769710.db2.gz RKQNBJXPRUWNPG-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001430863058 1013769714 /nfs/dbraw/zinc/76/97/14/1013769714.db2.gz RKQNBJXPRUWNPG-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001372728102 968298790 /nfs/dbraw/zinc/29/87/90/968298790.db2.gz RTSCWKOSCFJWPW-HALDLXJZSA-N 1 3 324.469 0.241 20 0 DCADHO COC[C@@H](C)N(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372810528 968408021 /nfs/dbraw/zinc/40/80/21/968408021.db2.gz VSMGSFLPASANPC-CJNGLKHVSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001430922866 1013797059 /nfs/dbraw/zinc/79/70/59/1013797059.db2.gz GDLJWRBYPOUXRD-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001430922866 1013797063 /nfs/dbraw/zinc/79/70/63/1013797063.db2.gz GDLJWRBYPOUXRD-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001372914099 968524758 /nfs/dbraw/zinc/52/47/58/968524758.db2.gz FPIKECKPWHJZHS-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCCCN2C)C1=O ZINC001372932386 968541789 /nfs/dbraw/zinc/54/17/89/968541789.db2.gz BEEVVSVTCPQKHX-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1cncc1CN1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001373223909 968824800 /nfs/dbraw/zinc/82/48/00/968824800.db2.gz KWAQDPLFJORGLA-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373456438 969115536 /nfs/dbraw/zinc/11/55/36/969115536.db2.gz WHBVKCOFWPBGAM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001373456438 969115543 /nfs/dbraw/zinc/11/55/43/969115543.db2.gz WHBVKCOFWPBGAM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[C@H](CN2CC(CNC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001373532260 969194203 /nfs/dbraw/zinc/19/42/03/969194203.db2.gz PUVMHSBOUWAZQL-UKRRQHHQSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001373572875 969247135 /nfs/dbraw/zinc/24/71/35/969247135.db2.gz KMSMHFKXFVFQCL-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001373572875 969247142 /nfs/dbraw/zinc/24/71/42/969247142.db2.gz KMSMHFKXFVFQCL-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001431028461 1013875336 /nfs/dbraw/zinc/87/53/36/1013875336.db2.gz AYZZFHKAQHODKB-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001448512065 1013937398 /nfs/dbraw/zinc/93/73/98/1013937398.db2.gz RIGWPENNCJGFBU-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001448644056 1013979343 /nfs/dbraw/zinc/97/93/43/1013979343.db2.gz AVSIRWSMZHOWRQ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001448644056 1013979346 /nfs/dbraw/zinc/97/93/46/1013979346.db2.gz AVSIRWSMZHOWRQ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001448716669 1014009265 /nfs/dbraw/zinc/00/92/65/1014009265.db2.gz CFOPUGHQJVUBJC-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001448771574 1014033118 /nfs/dbraw/zinc/03/31/18/1014033118.db2.gz FTHJOHIZXNCUCF-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C[C@H]3CNCCO3)C2)C1 ZINC001549127099 1014143850 /nfs/dbraw/zinc/14/38/50/1014143850.db2.gz PJKFUPUIOOCOMJ-KBXIAJHMSA-N 1 3 311.426 0.110 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001449086723 1014180715 /nfs/dbraw/zinc/18/07/15/1014180715.db2.gz UEQVSCNZBLTIOF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001449136581 1014228846 /nfs/dbraw/zinc/22/88/46/1014228846.db2.gz RXDJAJYLYFKBCD-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)(C)[C@@H](N)C(=O)NCc1ccncc1O[C@H]1CC[NH2+]C1 ZINC001549724930 1014424792 /nfs/dbraw/zinc/42/47/92/1014424792.db2.gz PQJHGKMPNYXIOP-JSGCOSHPSA-N 1 3 306.410 0.812 20 0 DCADHO CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449410253 1014463662 /nfs/dbraw/zinc/46/36/62/1014463662.db2.gz AFPWOFOTPYNTRO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449410253 1014463666 /nfs/dbraw/zinc/46/36/66/1014463666.db2.gz AFPWOFOTPYNTRO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001522969084 1014496786 /nfs/dbraw/zinc/49/67/86/1014496786.db2.gz YJSFBPUZBKKTEB-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001550063429 1014543245 /nfs/dbraw/zinc/54/32/45/1014543245.db2.gz RPRMCQCRIBRZIJ-DZGCQCFKSA-N 1 3 321.425 0.237 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)C2)nn1 ZINC001550094013 1014562334 /nfs/dbraw/zinc/56/23/34/1014562334.db2.gz HAONBIMTIVOLLW-GXTWGEPZSA-N 1 3 306.414 0.290 20 0 DCADHO NCc1cn([C@H]2CCN(C(=O)CCC34CC(C3)C[NH2+]4)C2)nn1 ZINC001550095183 1014566106 /nfs/dbraw/zinc/56/61/06/1014566106.db2.gz BNWDHSXTUWQGDV-QRJNDHJOSA-N 1 3 304.398 0.042 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)[C@@H](N)C3CCOCC3)cn2)CC1 ZINC001550098168 1014567709 /nfs/dbraw/zinc/56/77/09/1014567709.db2.gz MSNABHCUCHLFPX-HNNXBMFYSA-N 1 3 321.425 0.842 20 0 DCADHO C[C@H]([NH3+])CCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550199337 1014624291 /nfs/dbraw/zinc/62/42/91/1014624291.db2.gz AYUXFONLNZGVMS-ZDUSSCGKSA-N 1 3 310.442 0.446 20 0 DCADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550204940 1014628284 /nfs/dbraw/zinc/62/82/84/1014628284.db2.gz UXVIBYUFLQOYBW-ZDUSSCGKSA-N 1 3 322.453 0.459 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001530494312 1014772360 /nfs/dbraw/zinc/77/23/60/1014772360.db2.gz OPRDJIDYEXTEFA-HNNXBMFYSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449925867 1014789502 /nfs/dbraw/zinc/78/95/02/1014789502.db2.gz QLHMYPCHPMAINH-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449925867 1014789511 /nfs/dbraw/zinc/78/95/11/1014789511.db2.gz QLHMYPCHPMAINH-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCNC[C@H](O)C1 ZINC001550735283 1014825040 /nfs/dbraw/zinc/82/50/40/1014825040.db2.gz ACQZTAIVHZQTKH-HNNXBMFYSA-N 1 3 310.442 0.084 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001550745165 1014833380 /nfs/dbraw/zinc/83/33/80/1014833380.db2.gz LDKWDBQSQUBVPK-RRFJBIMHSA-N 1 3 322.453 0.512 20 0 DCADHO C[C@@H]1NCCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[C@H]1C ZINC001550755913 1014842963 /nfs/dbraw/zinc/84/29/63/1014842963.db2.gz MZQPRGQEFNGYPH-MELADBBJSA-N 1 3 310.442 0.537 20 0 DCADHO [NH3+][C@@]1(CO)CCCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC001550765019 1014856554 /nfs/dbraw/zinc/85/65/54/1014856554.db2.gz RYGQEGFTCQSINV-WBVHZDCISA-N 1 3 318.421 0.196 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001530951705 1015002665 /nfs/dbraw/zinc/00/26/65/1015002665.db2.gz GPWMOHRQZLEFBH-KKUMJFAQSA-N 1 3 322.453 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001530951705 1015002675 /nfs/dbraw/zinc/00/26/75/1015002675.db2.gz GPWMOHRQZLEFBH-KKUMJFAQSA-N 1 3 322.453 0.090 20 0 DCADHO CC(C)N(CCN(C)C(=O)CC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001383196881 984715973 /nfs/dbraw/zinc/71/59/73/984715973.db2.gz ZVYIFAOFNQOONC-UHFFFAOYSA-N 1 3 323.441 0.599 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001383285862 984750838 /nfs/dbraw/zinc/75/08/38/984750838.db2.gz CLEZYHUAQAGXKS-CYBMUJFWSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001383458230 984864978 /nfs/dbraw/zinc/86/49/78/984864978.db2.gz CUVMGNXPOZEZHV-UHFFFAOYSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001450366973 1015089832 /nfs/dbraw/zinc/08/98/32/1015089832.db2.gz WNPFHDJEUJCYMV-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001525141052 1015103071 /nfs/dbraw/zinc/10/30/71/1015103071.db2.gz RVGUVIFHBPMSMD-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001525141052 1015103075 /nfs/dbraw/zinc/10/30/75/1015103075.db2.gz RVGUVIFHBPMSMD-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC1([NH+]2CCCC2)CCC(NC(=O)N2CCNC[C@@H](O)C2)CC1 ZINC001551469663 1015105320 /nfs/dbraw/zinc/10/53/20/1015105320.db2.gz CCMCZKTYPVXNCO-ISXOHVOVSA-N 1 3 324.469 0.759 20 0 DCADHO CCN(CC)CC(=O)N1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001450385702 1015107435 /nfs/dbraw/zinc/10/74/35/1015107435.db2.gz IOUUHVWHIYKQOM-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551499185 1015118354 /nfs/dbraw/zinc/11/83/54/1015118354.db2.gz XWMPLEXQXDNCOP-HLIUYOAVSA-N 1 3 312.458 0.914 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)NCC2([NH3+])CC2)CC1 ZINC001551497729 1015118596 /nfs/dbraw/zinc/11/85/96/1015118596.db2.gz NGJSSISGRRDYLN-UHFFFAOYSA-N 1 3 310.442 0.810 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001385348761 986278870 /nfs/dbraw/zinc/27/88/70/986278870.db2.gz NGCRBSQGLIEFDC-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001385348761 986278875 /nfs/dbraw/zinc/27/88/75/986278875.db2.gz NGCRBSQGLIEFDC-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001385400899 986323961 /nfs/dbraw/zinc/32/39/61/986323961.db2.gz GXSOLWOQKVECIF-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001385412321 986332322 /nfs/dbraw/zinc/33/23/22/986332322.db2.gz QGYVRYSUFNXXDE-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001385629211 986483860 /nfs/dbraw/zinc/48/38/60/986483860.db2.gz UARIZLWUZGZBLY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001385629211 986483864 /nfs/dbraw/zinc/48/38/64/986483864.db2.gz UARIZLWUZGZBLY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385832017 986617935 /nfs/dbraw/zinc/61/79/35/986617935.db2.gz MKUHJMOJBYPAOV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385832017 986617939 /nfs/dbraw/zinc/61/79/39/986617939.db2.gz MKUHJMOJBYPAOV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001385946600 986703683 /nfs/dbraw/zinc/70/36/83/986703683.db2.gz CZOXBWODOJCNIS-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001386278639 987026895 /nfs/dbraw/zinc/02/68/95/987026895.db2.gz TZRQBBZKKKMPQR-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001386278639 987026904 /nfs/dbraw/zinc/02/69/04/987026904.db2.gz TZRQBBZKKKMPQR-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001386397603 987124493 /nfs/dbraw/zinc/12/44/93/987124493.db2.gz JDSJVZLWNXKUJE-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001386397603 987124495 /nfs/dbraw/zinc/12/44/95/987124495.db2.gz JDSJVZLWNXKUJE-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCNC(=O)CC[NH+](C)C ZINC001386755795 987372736 /nfs/dbraw/zinc/37/27/36/987372736.db2.gz MPMNJWHRYIAULM-LLVKDONJSA-N 1 3 309.414 0.223 20 0 DCADHO O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[C@H](N2CCCC2)C1 ZINC001552180828 1015308010 /nfs/dbraw/zinc/30/80/10/1015308010.db2.gz UUTYNRZQICDTLI-OLZOCXBDSA-N 1 3 304.398 0.123 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001387107283 987637508 /nfs/dbraw/zinc/63/75/08/987637508.db2.gz HMJRYJNUODIPCH-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001387133701 987651987 /nfs/dbraw/zinc/65/19/87/987651987.db2.gz IMXUDOWEEWSRGA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001387133701 987651988 /nfs/dbraw/zinc/65/19/88/987651988.db2.gz IMXUDOWEEWSRGA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001388364750 988233343 /nfs/dbraw/zinc/23/33/43/988233343.db2.gz XYXQWBNANVOVKN-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C2CC2)cn1 ZINC001389639368 989453682 /nfs/dbraw/zinc/45/36/82/989453682.db2.gz CYWMTVBTQKIABH-OAHLLOKOSA-N 1 3 319.453 0.746 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001389706018 989505778 /nfs/dbraw/zinc/50/57/78/989505778.db2.gz AILRGFKJJVOBCH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001389706018 989505780 /nfs/dbraw/zinc/50/57/80/989505780.db2.gz AILRGFKJJVOBCH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(Cc1n[nH]c([C@@H]2C[C@H](F)CN2)n1)C(=O)[C@H]1CCCC[NH2+]C1 ZINC001552679217 1015487965 /nfs/dbraw/zinc/48/79/65/1015487965.db2.gz DTJGUNHHHBMHMX-SRVKXCTJSA-N 1 3 324.404 0.525 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1 ZINC001389798257 989589159 /nfs/dbraw/zinc/58/91/59/989589159.db2.gz PIUZDPSAIXNLNP-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CCC2)C1 ZINC001389800590 989590657 /nfs/dbraw/zinc/59/06/57/989590657.db2.gz VZZRNZVLXKKZPJ-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1)[NH+](CC)CC ZINC001389802714 989593430 /nfs/dbraw/zinc/59/34/30/989593430.db2.gz NRBRCBKYOSLCTI-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001389815646 989606144 /nfs/dbraw/zinc/60/61/44/989606144.db2.gz GAGVKFXFWNKKRP-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)C1)C1CCC1 ZINC001389860341 989642559 /nfs/dbraw/zinc/64/25/59/989642559.db2.gz ZVTGAPOOOCLCQY-JOCQHMNTSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@@H]1CN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)CCN1 ZINC001552694028 1015494947 /nfs/dbraw/zinc/49/49/47/1015494947.db2.gz SNZAEPUBRHVMOC-VNHYZAJKSA-N 1 3 320.441 0.791 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001390164416 989882781 /nfs/dbraw/zinc/88/27/81/989882781.db2.gz UBBXSTDSOLYNKU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)N(C)C(C)C)[NH+](C)C ZINC001390504670 990156937 /nfs/dbraw/zinc/15/69/37/990156937.db2.gz FKCMEAMPBFXFCI-DZGCQCFKSA-N 1 3 314.474 0.534 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552834569 1015545354 /nfs/dbraw/zinc/54/53/54/1015545354.db2.gz OAYWNSJPQLTFLE-HLLBOEOZSA-N 1 3 308.470 0.661 20 0 DCADHO C[C@H](CCNC(=O)C1CC[NH+](C)CC1)NCc1cnns1 ZINC001390707125 990318603 /nfs/dbraw/zinc/31/86/03/990318603.db2.gz UGLNNZVCORBHHD-LLVKDONJSA-N 1 3 311.455 0.864 20 0 DCADHO COc1cncc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001390717004 990324040 /nfs/dbraw/zinc/32/40/40/990324040.db2.gz CQZQTDKIFAYRHT-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO COc1cncc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001390717004 990324048 /nfs/dbraw/zinc/32/40/48/990324048.db2.gz CQZQTDKIFAYRHT-STQMWFEESA-N 1 3 321.425 0.421 20 0 DCADHO CN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)[C@@H]1CCN(C)C1 ZINC001552914795 1015561638 /nfs/dbraw/zinc/56/16/38/1015561638.db2.gz BRLHBKOEBOKSNF-CQSZACIVSA-N 1 3 303.410 0.267 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001391062175 990551703 /nfs/dbraw/zinc/55/17/03/990551703.db2.gz LUWFYWRXJRMUMZ-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO CC(C)[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1C ZINC001552973561 1015581188 /nfs/dbraw/zinc/58/11/88/1015581188.db2.gz PKHCIHLIAQSFKZ-HOCLYGCPSA-N 1 3 306.458 0.975 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001391732010 991143570 /nfs/dbraw/zinc/14/35/70/991143570.db2.gz UPPPSZCLCVVNCW-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001391732005 991143764 /nfs/dbraw/zinc/14/37/64/991143764.db2.gz UPPPSZCLCVVNCW-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001391854830 991227203 /nfs/dbraw/zinc/22/72/03/991227203.db2.gz HGBCYUBDUZMKPQ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nc1C)N(C)C ZINC001391940386 991309132 /nfs/dbraw/zinc/30/91/32/991309132.db2.gz UIICHJYHEAOODZ-WFASDCNBSA-N 1 3 309.458 0.911 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001392138627 991536297 /nfs/dbraw/zinc/53/62/97/991536297.db2.gz OOJCRXGPOJAOTP-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001553217502 1015644231 /nfs/dbraw/zinc/64/42/31/1015644231.db2.gz SVXSZSHZPFNSRY-UONOGXRCSA-N 1 3 310.442 0.321 20 0 DCADHO CCn1cc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)nn1 ZINC001392184538 991585034 /nfs/dbraw/zinc/58/50/34/991585034.db2.gz OINKYSAATZOBAA-DZGCQCFKSA-N 1 3 322.457 0.576 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001392253153 991657946 /nfs/dbraw/zinc/65/79/46/991657946.db2.gz WHHUCQHHKBDURR-DZGCQCFKSA-N 1 3 307.442 0.602 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001392253153 991657951 /nfs/dbraw/zinc/65/79/51/991657951.db2.gz WHHUCQHHKBDURR-DZGCQCFKSA-N 1 3 307.442 0.602 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001392405325 991880756 /nfs/dbraw/zinc/88/07/56/991880756.db2.gz HYGUBRXDQSWUEN-HIFRSBDPSA-N 1 3 314.474 0.534 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001392462691 991960528 /nfs/dbraw/zinc/96/05/28/991960528.db2.gz ZSTIPBUSNJSRHZ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001392478780 991982602 /nfs/dbraw/zinc/98/26/02/991982602.db2.gz ATGKMLWAXMIOQJ-OCCSQVGLSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001392478780 991982616 /nfs/dbraw/zinc/98/26/16/991982616.db2.gz ATGKMLWAXMIOQJ-OCCSQVGLSA-N 1 3 310.442 0.232 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001392485100 991991544 /nfs/dbraw/zinc/99/15/44/991991544.db2.gz YOKJBZBECGZCHP-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001392485100 991991553 /nfs/dbraw/zinc/99/15/53/991991553.db2.gz YOKJBZBECGZCHP-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001392572464 992113261 /nfs/dbraw/zinc/11/32/61/992113261.db2.gz QTNDWBZDYFASBM-JSGCOSHPSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001392572464 992113265 /nfs/dbraw/zinc/11/32/65/992113265.db2.gz QTNDWBZDYFASBM-JSGCOSHPSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001392590481 992132540 /nfs/dbraw/zinc/13/25/40/992132540.db2.gz MPUMQYZSZVPBNS-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1CNCC(=O)NC)[NH+](CC)CC ZINC001393059394 992657470 /nfs/dbraw/zinc/65/74/70/992657470.db2.gz WOGNXQWYQFHETM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[C@@H](C)CN1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001393356070 992911936 /nfs/dbraw/zinc/91/19/36/992911936.db2.gz XYQPNMRJQZQJRB-OAHLLOKOSA-N 1 3 311.470 0.927 20 0 DCADHO CN(C)C1(C(=O)NCCN2CCC([NH2+]CCF)CC2)CCC1 ZINC001393425653 992973741 /nfs/dbraw/zinc/97/37/41/992973741.db2.gz BKZPBQCFVXWVKY-UHFFFAOYSA-N 1 3 314.449 0.610 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001394132862 993503587 /nfs/dbraw/zinc/50/35/87/993503587.db2.gz DCCZIXZYFJALPX-HOTGVXAUSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001394132862 993503593 /nfs/dbraw/zinc/50/35/93/993503593.db2.gz DCCZIXZYFJALPX-HOTGVXAUSA-N 1 3 321.469 0.888 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)ncn1 ZINC001394368406 993655932 /nfs/dbraw/zinc/65/59/32/993655932.db2.gz IQNFRXSODCYQNU-HDJSIYSDSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001399718102 993698895 /nfs/dbraw/zinc/69/88/95/993698895.db2.gz BERSJQQZPUXCCX-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001399718102 993698901 /nfs/dbraw/zinc/69/89/01/993698901.db2.gz BERSJQQZPUXCCX-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001394437592 993705398 /nfs/dbraw/zinc/70/53/98/993705398.db2.gz XXFDBOBROCGFNI-SMDDNHRTSA-N 1 3 310.442 0.171 20 0 DCADHO CCN(CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCn1cncn1 ZINC001399827894 993820539 /nfs/dbraw/zinc/82/05/39/993820539.db2.gz VQTNTEMQOOQOOU-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N1CC[C@H](N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001399921842 993930504 /nfs/dbraw/zinc/93/05/04/993930504.db2.gz CKWAFQAOQOGVQE-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CC1CC2(CCC2)C1 ZINC001394644925 993958004 /nfs/dbraw/zinc/95/80/04/993958004.db2.gz KVFPBCJKMXSZKM-CQSZACIVSA-N 1 3 320.437 0.908 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001399948180 993971698 /nfs/dbraw/zinc/97/16/98/993971698.db2.gz MJUBGHQBOCHJDF-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cc(CN2CC[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001399948180 993971709 /nfs/dbraw/zinc/97/17/09/993971709.db2.gz MJUBGHQBOCHJDF-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001400040528 994091570 /nfs/dbraw/zinc/09/15/70/994091570.db2.gz QHHIFQIJHMDLSZ-AWEZNQCLSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001400040528 994091581 /nfs/dbraw/zinc/09/15/81/994091581.db2.gz QHHIFQIJHMDLSZ-AWEZNQCLSA-N 1 3 305.426 0.415 20 0 DCADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001394748793 994101492 /nfs/dbraw/zinc/10/14/92/994101492.db2.gz YLGTUKAORIFNSS-HNNXBMFYSA-N 1 3 320.437 0.332 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001400054042 994110731 /nfs/dbraw/zinc/11/07/31/994110731.db2.gz NGQUTUCSQMOENJ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001400054042 994110737 /nfs/dbraw/zinc/11/07/37/994110737.db2.gz NGQUTUCSQMOENJ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001394854607 994216775 /nfs/dbraw/zinc/21/67/75/994216775.db2.gz SFWBNNQECQDXMN-PIMMBPRGSA-N 1 3 312.458 0.240 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001395098021 994431650 /nfs/dbraw/zinc/43/16/50/994431650.db2.gz JGMVOOWEZUKPDP-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001395098023 994432293 /nfs/dbraw/zinc/43/22/93/994432293.db2.gz JGMVOOWEZUKPDP-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001400422961 994498978 /nfs/dbraw/zinc/49/89/78/994498978.db2.gz LUIZHLOEIUNNRP-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001400422961 994498981 /nfs/dbraw/zinc/49/89/81/994498981.db2.gz LUIZHLOEIUNNRP-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)CCC[NH+](C)C)N(C)C ZINC001400483928 994569644 /nfs/dbraw/zinc/56/96/44/994569644.db2.gz QJYCEAKUVVMSSW-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cccn1 ZINC001400809088 994958039 /nfs/dbraw/zinc/95/80/39/994958039.db2.gz FBWGMKWGDOFQMM-AWEZNQCLSA-N 1 3 307.442 0.852 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(N)=O ZINC001400811117 994961208 /nfs/dbraw/zinc/96/12/08/994961208.db2.gz IOBKEFIASCXTAF-OCCSQVGLSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(N)=O ZINC001400811117 994961218 /nfs/dbraw/zinc/96/12/18/994961218.db2.gz IOBKEFIASCXTAF-OCCSQVGLSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001396938108 995693513 /nfs/dbraw/zinc/69/35/13/995693513.db2.gz OBWQEMNFNISFPT-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001396940118 995695479 /nfs/dbraw/zinc/69/54/79/995695479.db2.gz WNPFRXRGDITWGM-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001507131202 1016010911 /nfs/dbraw/zinc/01/09/11/1016010911.db2.gz XJPIYENXOHXBPO-CHWSQXEVSA-N 1 3 321.425 0.305 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN(C)C(C)C ZINC001398090234 996359120 /nfs/dbraw/zinc/35/91/20/996359120.db2.gz SEXQELGQRBFMFK-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)C(C)C ZINC001398090234 996359123 /nfs/dbraw/zinc/35/91/23/996359123.db2.gz SEXQELGQRBFMFK-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+]([C@H](CC)C(N)=O)CC2 ZINC001398368256 996489345 /nfs/dbraw/zinc/48/93/45/996489345.db2.gz WHXWZHUGNVOSBV-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001398445443 996520230 /nfs/dbraw/zinc/52/02/30/996520230.db2.gz KWENLCLEPSXHKV-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001398445443 996520239 /nfs/dbraw/zinc/52/02/39/996520239.db2.gz KWENLCLEPSXHKV-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001398452821 996524813 /nfs/dbraw/zinc/52/48/13/996524813.db2.gz MIKLNZWFCIVGPC-CZUORRHYSA-N 1 3 315.433 0.676 20 0 DCADHO CCc1nc([C@H](C)N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001398618336 996607662 /nfs/dbraw/zinc/60/76/62/996607662.db2.gz FRRQVFWRKUDHRC-SDDRHHMPSA-N 1 3 308.430 0.617 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001502750060 1016054694 /nfs/dbraw/zinc/05/46/94/1016054694.db2.gz ABOSQIIDXQWKSL-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001502750060 1016054702 /nfs/dbraw/zinc/05/47/02/1016054702.db2.gz ABOSQIIDXQWKSL-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001398768828 996679872 /nfs/dbraw/zinc/67/98/72/996679872.db2.gz RDKAPUSGQCGRBI-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001502754142 1016056996 /nfs/dbraw/zinc/05/69/96/1016056996.db2.gz LXFCLEIYWUAYBT-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001398987721 996798335 /nfs/dbraw/zinc/79/83/35/996798335.db2.gz VWWQTFWFDBSNGL-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+]1CCCCC1 ZINC001404332075 996997073 /nfs/dbraw/zinc/99/70/73/996997073.db2.gz RBEVMPRFDDKRRI-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001404528297 997206124 /nfs/dbraw/zinc/20/61/24/997206124.db2.gz ZMWABTLJYGZKHX-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN2CCC(C)CC2)C1 ZINC001404528297 997206131 /nfs/dbraw/zinc/20/61/31/997206131.db2.gz ZMWABTLJYGZKHX-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001404689013 997381156 /nfs/dbraw/zinc/38/11/56/997381156.db2.gz YSXICHHHLPWBOG-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@H]1CCCN(C)C1=O ZINC001405354028 998144809 /nfs/dbraw/zinc/14/48/09/998144809.db2.gz NUTHWEYXILSBSG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001405599131 998375375 /nfs/dbraw/zinc/37/53/75/998375375.db2.gz TYBRYTROYWBAGF-CQSZACIVSA-N 1 3 322.457 0.720 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCCNC1=O ZINC001405658620 998444648 /nfs/dbraw/zinc/44/46/48/998444648.db2.gz BSNGTIGIUVXZCY-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001505408641 1016217407 /nfs/dbraw/zinc/21/74/07/1016217407.db2.gz GANUETSYGKZHLB-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C[C@H]1C ZINC001507327274 1016254801 /nfs/dbraw/zinc/25/48/01/1016254801.db2.gz IRYNYZAVDKRZOM-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001507338152 1016264976 /nfs/dbraw/zinc/26/49/76/1016264976.db2.gz HZPMOVTXNHDJSE-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCO)[C@H]2C1 ZINC001507370586 1016284793 /nfs/dbraw/zinc/28/47/93/1016284793.db2.gz ZMXUXWZGJZWNFZ-JYJNAYRXSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C)nn1C ZINC001401154292 1000233598 /nfs/dbraw/zinc/23/35/98/1000233598.db2.gz NFPROLJQIDJPTC-ZDUSSCGKSA-N 1 3 309.458 0.911 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001401267560 1000322139 /nfs/dbraw/zinc/32/21/39/1000322139.db2.gz TWDVICXDVDYQRK-KBPBESRZSA-N 1 3 322.457 0.542 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001418658135 1000426047 /nfs/dbraw/zinc/42/60/47/1000426047.db2.gz LWBAZWDGXCHAKI-BETUJISGSA-N 1 3 308.430 0.141 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001418658135 1000426052 /nfs/dbraw/zinc/42/60/52/1000426052.db2.gz LWBAZWDGXCHAKI-BETUJISGSA-N 1 3 308.430 0.141 20 0 DCADHO Cc1nnc(CNC[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)[nH]1 ZINC001401479691 1000437986 /nfs/dbraw/zinc/43/79/86/1000437986.db2.gz FNVACBNLEDFIRR-OLZOCXBDSA-N 1 3 308.430 0.439 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)[nH]1 ZINC001401479703 1000438225 /nfs/dbraw/zinc/43/82/25/1000438225.db2.gz FNVACBNLEDFIRR-STQMWFEESA-N 1 3 308.430 0.439 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001418891099 1000594365 /nfs/dbraw/zinc/59/43/65/1000594365.db2.gz NGKZMMQVUGAOTH-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001418891099 1000594370 /nfs/dbraw/zinc/59/43/70/1000594370.db2.gz NGKZMMQVUGAOTH-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[NH+]1CCN(CCN(C)C(=O)CN2CCCC2)CC1 ZINC001418915683 1000613559 /nfs/dbraw/zinc/61/35/59/1000613559.db2.gz RHWUOPYUFLVUET-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC(=O)N1CCCC1 ZINC001505681857 1016439933 /nfs/dbraw/zinc/43/99/33/1016439933.db2.gz OUYJZFYJJJLZJY-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)NCC1([NH2+]CCn2cncn2)CC1)C1CCC1 ZINC001401949342 1000892492 /nfs/dbraw/zinc/89/24/92/1000892492.db2.gz NUXGNMVJLSOOFD-UHFFFAOYSA-N 1 3 306.414 0.001 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCc2ccnn2C)CC1)N(C)C ZINC001401976871 1000920324 /nfs/dbraw/zinc/92/03/24/1000920324.db2.gz IAKKKQVCAAANLD-HNNXBMFYSA-N 1 3 321.469 0.787 20 0 DCADHO CN(C)C(=O)CN[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001419301337 1000960326 /nfs/dbraw/zinc/96/03/26/1000960326.db2.gz UMPFWMWDGWUMLQ-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001402051899 1000974899 /nfs/dbraw/zinc/97/48/99/1000974899.db2.gz AJTWQOLOJPVJIO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCC(=O)NC1CC1 ZINC001402054888 1000978978 /nfs/dbraw/zinc/97/89/78/1000978978.db2.gz GKEKQISCNVJOKH-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001419367735 1001003668 /nfs/dbraw/zinc/00/36/68/1001003668.db2.gz ZEMFLMUNMXIAOW-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001419414284 1001033454 /nfs/dbraw/zinc/03/34/54/1001033454.db2.gz IRQZPDWDCXRIJE-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001419470169 1001077199 /nfs/dbraw/zinc/07/71/99/1001077199.db2.gz AHMCPBWRXZSPSU-OCCSQVGLSA-N 1 3 300.447 0.003 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CC12CCN([C@@H](C)C(=O)NC)CC2 ZINC001402249629 1001136337 /nfs/dbraw/zinc/13/63/37/1001136337.db2.gz VAYZEICQQPBEID-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN([C@@H](C)C(=O)NC)CC2 ZINC001402249629 1001136339 /nfs/dbraw/zinc/13/63/39/1001136339.db2.gz VAYZEICQQPBEID-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001402281866 1001175270 /nfs/dbraw/zinc/17/52/70/1001175270.db2.gz XJMRTQJWKFOGJX-CJNGLKHVSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](F)CC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001402281866 1001175265 /nfs/dbraw/zinc/17/52/65/1001175265.db2.gz XJMRTQJWKFOGJX-CJNGLKHVSA-N 1 3 315.433 0.772 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001419621491 1001176582 /nfs/dbraw/zinc/17/65/82/1001176582.db2.gz RETHGFUSZFLTHC-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419621491 1001176584 /nfs/dbraw/zinc/17/65/84/1001176584.db2.gz RETHGFUSZFLTHC-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CCCC1 ZINC001419633272 1001182264 /nfs/dbraw/zinc/18/22/64/1001182264.db2.gz QBMRWSQISJIUAA-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@@H+]1CC[C@](O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001402307198 1001199457 /nfs/dbraw/zinc/19/94/57/1001199457.db2.gz ZQPWMUDQNYVFIU-HOTGVXAUSA-N 1 3 315.433 0.772 20 0 DCADHO CC[N@H+]1CC[C@](O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001402307198 1001199458 /nfs/dbraw/zinc/19/94/58/1001199458.db2.gz ZQPWMUDQNYVFIU-HOTGVXAUSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccnn1C)C1CC1)N(C)C ZINC001402312596 1001205775 /nfs/dbraw/zinc/20/57/75/1001205775.db2.gz HCWCCRZIUPXVNQ-HUUCEWRRSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001419709795 1001238123 /nfs/dbraw/zinc/23/81/23/1001238123.db2.gz XICDOEUPTMOEQZ-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001419712468 1001242801 /nfs/dbraw/zinc/24/28/01/1001242801.db2.gz CLZNIOSKTORXIT-ZFWWWQNUSA-N 1 3 322.453 0.662 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001419738799 1001265063 /nfs/dbraw/zinc/26/50/63/1001265063.db2.gz BXWCXZCUXISWHR-RYUDHWBXSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001419738799 1001265069 /nfs/dbraw/zinc/26/50/69/1001265069.db2.gz BXWCXZCUXISWHR-RYUDHWBXSA-N 1 3 310.446 0.952 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001419758263 1001284326 /nfs/dbraw/zinc/28/43/26/1001284326.db2.gz FXIMRDFSHJXHRH-ZDUSSCGKSA-N 1 3 322.457 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001402409757 1001285292 /nfs/dbraw/zinc/28/52/92/1001285292.db2.gz KXCIXOBTBBCOQN-UONOGXRCSA-N 1 3 312.458 0.099 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001402446807 1001315289 /nfs/dbraw/zinc/31/52/89/1001315289.db2.gz VPIIYPRXGRUEGB-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001402506681 1001367307 /nfs/dbraw/zinc/36/73/07/1001367307.db2.gz KGLUAWSQYOXPPA-ZQDZILKHSA-N 1 3 324.469 0.430 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCN1C(C)C)C(C)C ZINC001419878728 1001377632 /nfs/dbraw/zinc/37/76/32/1001377632.db2.gz DWOFCHUIYSYEAI-KGLIPLIRSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@@H](C)C(N)=O ZINC001419893979 1001389365 /nfs/dbraw/zinc/38/93/65/1001389365.db2.gz KKBLVPFAKPOELE-NEPJUHHUSA-N 1 3 310.442 0.077 20 0 DCADHO CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001419941595 1001420649 /nfs/dbraw/zinc/42/06/49/1001420649.db2.gz VIQJAPGMWKEKFR-DZGCQCFKSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001402770700 1001495710 /nfs/dbraw/zinc/49/57/10/1001495710.db2.gz JJGOMBWVDSYAOF-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001402776234 1001498277 /nfs/dbraw/zinc/49/82/77/1001498277.db2.gz UUDJQRJWSMJRNY-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NC1CC1 ZINC001402788903 1001502735 /nfs/dbraw/zinc/50/27/35/1001502735.db2.gz ZQTHHCYUFREOGB-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402895835 1001562459 /nfs/dbraw/zinc/56/24/59/1001562459.db2.gz VZKBFSLGDFXBPI-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402895835 1001562460 /nfs/dbraw/zinc/56/24/60/1001562460.db2.gz VZKBFSLGDFXBPI-HIFRSBDPSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H](C)C(=O)NC1CC1 ZINC001403007820 1001630595 /nfs/dbraw/zinc/63/05/95/1001630595.db2.gz NWTANWFIECIVHJ-OLZOCXBDSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001403034829 1001642714 /nfs/dbraw/zinc/64/27/14/1001642714.db2.gz WBRKJIPWBWEZIZ-QWHCGFSZSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001403057572 1001653493 /nfs/dbraw/zinc/65/34/93/1001653493.db2.gz CINKXXFGOIZYDW-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1CCc2ncnn21)C(=O)[C@@H]1CCCN1C ZINC001419953216 1001717487 /nfs/dbraw/zinc/71/74/87/1001717487.db2.gz KZZLWDVSKVTBCK-KBPBESRZSA-N 1 3 320.441 0.250 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1CCc2ncnn21)C(=O)[C@@H]1CCCN1C ZINC001419953216 1001717491 /nfs/dbraw/zinc/71/74/91/1001717491.db2.gz KZZLWDVSKVTBCK-KBPBESRZSA-N 1 3 320.441 0.250 20 0 DCADHO COc1coc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1=O ZINC001419968637 1001731670 /nfs/dbraw/zinc/73/16/70/1001731670.db2.gz MFAZXEROEAOKEG-LBPRGKRZSA-N 1 3 323.393 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@@H](C)CC)C1 ZINC001419974094 1001737145 /nfs/dbraw/zinc/73/71/45/1001737145.db2.gz ANZASSFMBDKWSD-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001419987034 1001746187 /nfs/dbraw/zinc/74/61/87/1001746187.db2.gz BSRIMSFWYOJBMS-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)[nH]1 ZINC001403256759 1001765845 /nfs/dbraw/zinc/76/58/45/1001765845.db2.gz SVUXUAMCLLJOTP-OCCSQVGLSA-N 1 3 322.457 0.954 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001403330154 1001825563 /nfs/dbraw/zinc/82/55/63/1001825563.db2.gz LVSBPZGYXTVOHK-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001403388487 1001915937 /nfs/dbraw/zinc/91/59/37/1001915937.db2.gz OTQYMRHWFLFLMD-QSPRXWTASA-N 1 3 323.481 0.926 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001403388487 1001915941 /nfs/dbraw/zinc/91/59/41/1001915941.db2.gz OTQYMRHWFLFLMD-QSPRXWTASA-N 1 3 323.481 0.926 20 0 DCADHO Cc1nccnc1CNCC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001424732053 1001959707 /nfs/dbraw/zinc/95/97/07/1001959707.db2.gz PYEMEKOFLPXXFQ-UHFFFAOYSA-N 1 3 305.426 0.721 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001424777744 1002015353 /nfs/dbraw/zinc/01/53/53/1002015353.db2.gz GEHBEEIEZQFJRM-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@@H](O)C[NH2+]CC2CC2)c1 ZINC001420209196 1002045021 /nfs/dbraw/zinc/04/50/21/1002045021.db2.gz HOPZEZBXNKNCOT-INIZCTEOSA-N 1 3 305.422 0.839 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001403579797 1002165299 /nfs/dbraw/zinc/16/52/99/1002165299.db2.gz VWUIVSNIEGTBRD-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](N[C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001403606622 1002199754 /nfs/dbraw/zinc/19/97/54/1002199754.db2.gz NWJFQQQCXWVNDS-GXTWGEPZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420328340 1002231674 /nfs/dbraw/zinc/23/16/74/1002231674.db2.gz JJLXLZLMYXLXIY-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001403632542 1002239203 /nfs/dbraw/zinc/23/92/03/1002239203.db2.gz QDAOBYFCCDGYCY-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420423438 1002399305 /nfs/dbraw/zinc/39/93/05/1002399305.db2.gz MYIUNQLUUIUVRC-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001420423438 1002399311 /nfs/dbraw/zinc/39/93/11/1002399311.db2.gz MYIUNQLUUIUVRC-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C(C)(C)C ZINC001508035533 1016616476 /nfs/dbraw/zinc/61/64/76/1016616476.db2.gz LWVUAWBPGLXWHH-ZDUSSCGKSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001420471571 1002467416 /nfs/dbraw/zinc/46/74/16/1002467416.db2.gz SHGKQNKRVHHZHP-LBPRGKRZSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420609465 1002684662 /nfs/dbraw/zinc/68/46/62/1002684662.db2.gz JHQQYPZFCLSGTG-AWEZNQCLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001425557371 1002809332 /nfs/dbraw/zinc/80/93/32/1002809332.db2.gz OHEYPHKUKVKGKU-QWHCGFSZSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001425597375 1002873909 /nfs/dbraw/zinc/87/39/09/1002873909.db2.gz DROODGXHRQLTNI-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420741574 1002903810 /nfs/dbraw/zinc/90/38/10/1002903810.db2.gz BKQJQACERWCTFR-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001425623757 1002905362 /nfs/dbraw/zinc/90/53/62/1002905362.db2.gz FDASDSCOZYCJGL-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCN(C)C(=O)CN2CCCC2)C1=O ZINC001420745244 1002906178 /nfs/dbraw/zinc/90/61/78/1002906178.db2.gz PWVOEJDSGAAINP-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001404025725 1002919033 /nfs/dbraw/zinc/91/90/33/1002919033.db2.gz ZQTDEZVJYJWIIO-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001425672417 1002948454 /nfs/dbraw/zinc/94/84/54/1002948454.db2.gz DLNFEUKHDMXRGK-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001425672417 1002948462 /nfs/dbraw/zinc/94/84/62/1002948462.db2.gz DLNFEUKHDMXRGK-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001425687016 1002959655 /nfs/dbraw/zinc/95/96/55/1002959655.db2.gz YCQXAFJDLKRIHU-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001405819702 1003108758 /nfs/dbraw/zinc/10/87/58/1003108758.db2.gz BSMXBLQZOSLYFZ-CHWSQXEVSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCCC1)N(C)C(=O)CN1CCCC1 ZINC001405886301 1003172181 /nfs/dbraw/zinc/17/21/81/1003172181.db2.gz JEAOXQZMLFFZMD-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001425957918 1003284685 /nfs/dbraw/zinc/28/46/85/1003284685.db2.gz FTRCEYUASMKZHA-OCCSQVGLSA-N 1 3 324.469 0.289 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@H](N[C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001425968754 1003292911 /nfs/dbraw/zinc/29/29/11/1003292911.db2.gz SZMKBABZMNWAOE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCCNC1=O ZINC001406082938 1003335232 /nfs/dbraw/zinc/33/52/32/1003335232.db2.gz SJZYTBAAGQHDSB-UONOGXRCSA-N 1 3 312.458 0.336 20 0 DCADHO CCN(C(=O)CN1CCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001406087660 1003340623 /nfs/dbraw/zinc/34/06/23/1003340623.db2.gz ZFSFDJUDWNMTMY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C(=O)CN1CCCC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406087660 1003340636 /nfs/dbraw/zinc/34/06/36/1003340636.db2.gz ZFSFDJUDWNMTMY-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001406515629 1003781096 /nfs/dbraw/zinc/78/10/96/1003781096.db2.gz IXXPCBJNMCDKRI-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001406534591 1003798235 /nfs/dbraw/zinc/79/82/35/1003798235.db2.gz QBPKZRKFKXZZTN-SWLSCSKDSA-N 1 3 318.421 0.345 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001406547578 1003821281 /nfs/dbraw/zinc/82/12/81/1003821281.db2.gz WQUSYHLCDZVIGW-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001426761533 1004016615 /nfs/dbraw/zinc/01/66/15/1004016615.db2.gz PDBOTWWUWDLTJV-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426761533 1004016627 /nfs/dbraw/zinc/01/66/27/1004016627.db2.gz PDBOTWWUWDLTJV-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001407092903 1004370856 /nfs/dbraw/zinc/37/08/56/1004370856.db2.gz LBTWJZAABCRDSF-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001407095104 1004373991 /nfs/dbraw/zinc/37/39/91/1004373991.db2.gz PXXYRFUYFNZBSD-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001407108156 1004390062 /nfs/dbraw/zinc/39/00/62/1004390062.db2.gz HUBCFQBJQYHXHX-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)CC1 ZINC001407187187 1004457177 /nfs/dbraw/zinc/45/71/77/1004457177.db2.gz WUBWUIAHHKLVAI-MRXNPFEDSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001427646596 1004507753 /nfs/dbraw/zinc/50/77/53/1004507753.db2.gz UCJBARRQQFODLI-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@]2(C)CCC[N@H+](CCCO)C2)C1 ZINC001407300273 1004529283 /nfs/dbraw/zinc/52/92/83/1004529283.db2.gz OGOMRMIKMAKTLY-RDJZCZTQSA-N 1 3 311.470 0.929 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@]2(C)CCC[N@@H+](CCCO)C2)C1 ZINC001407300273 1004529288 /nfs/dbraw/zinc/52/92/88/1004529288.db2.gz OGOMRMIKMAKTLY-RDJZCZTQSA-N 1 3 311.470 0.929 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001429473492 1004620509 /nfs/dbraw/zinc/62/05/09/1004620509.db2.gz AMYQLACESPZHNN-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001429473492 1004620513 /nfs/dbraw/zinc/62/05/13/1004620513.db2.gz AMYQLACESPZHNN-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001407543697 1004720466 /nfs/dbraw/zinc/72/04/66/1004720466.db2.gz XMOXRWXOBYNRGT-LSDHHAIUSA-N 1 3 321.469 0.944 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001407622962 1004768270 /nfs/dbraw/zinc/76/82/70/1004768270.db2.gz DVWNEUHCYATPQC-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001407622962 1004768278 /nfs/dbraw/zinc/76/82/78/1004768278.db2.gz DVWNEUHCYATPQC-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1ncc(CNC[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)n1 ZINC001407688822 1004808361 /nfs/dbraw/zinc/80/83/61/1004808361.db2.gz NOXFLSABFDTESQ-HDJSIYSDSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001407757864 1004840770 /nfs/dbraw/zinc/84/07/70/1004840770.db2.gz XHZFGXHABFEQPV-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCc1n[nH]c(C)n1 ZINC001407757864 1004840777 /nfs/dbraw/zinc/84/07/77/1004840777.db2.gz XHZFGXHABFEQPV-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001407819148 1004881496 /nfs/dbraw/zinc/88/14/96/1004881496.db2.gz AYEDERFWFZROPJ-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001407819148 1004881504 /nfs/dbraw/zinc/88/15/04/1004881504.db2.gz AYEDERFWFZROPJ-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001407871971 1004912982 /nfs/dbraw/zinc/91/29/82/1004912982.db2.gz YFHHDTUBIRQSKR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@H+](C)CCn2cncn2)C1 ZINC001407921528 1004943620 /nfs/dbraw/zinc/94/36/20/1004943620.db2.gz PIDXXBLRTONGOQ-HNNXBMFYSA-N 1 3 322.457 0.400 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)CCn2cncn2)C1 ZINC001407921528 1004943626 /nfs/dbraw/zinc/94/36/26/1004943626.db2.gz PIDXXBLRTONGOQ-HNNXBMFYSA-N 1 3 322.457 0.400 20 0 DCADHO CN(CC(=O)N1CCC[C@@](CO)([NH2+]CC2CC2)C1)C1CCC1 ZINC001408034538 1004996638 /nfs/dbraw/zinc/99/66/38/1004996638.db2.gz JICGVBYMTBPYEG-QGZVFWFLSA-N 1 3 309.454 0.824 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001408074952 1005019648 /nfs/dbraw/zinc/01/96/48/1005019648.db2.gz ITOIDJJFGFCGGO-BFHYXJOUSA-N 1 3 312.458 0.384 20 0 DCADHO COC[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001408139503 1005070426 /nfs/dbraw/zinc/07/04/26/1005070426.db2.gz CYHVOEKZYRUMPY-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](F)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001408146351 1005076045 /nfs/dbraw/zinc/07/60/45/1005076045.db2.gz PINAYTUAKCITDL-UONOGXRCSA-N 1 3 315.433 0.772 20 0 DCADHO CCCN(C)CC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC001408260008 1005130576 /nfs/dbraw/zinc/13/05/76/1005130576.db2.gz ISXXMQGOBFZAHS-UHFFFAOYSA-N 1 3 313.442 0.014 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001414558276 1005359829 /nfs/dbraw/zinc/35/98/29/1005359829.db2.gz FDFPIXFZFARUCC-QLFBSQMISA-N 1 3 310.442 0.585 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001414558276 1005359832 /nfs/dbraw/zinc/35/98/32/1005359832.db2.gz FDFPIXFZFARUCC-QLFBSQMISA-N 1 3 310.442 0.585 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001414558271 1005360066 /nfs/dbraw/zinc/36/00/66/1005360066.db2.gz FDFPIXFZFARUCC-KFWWJZLASA-N 1 3 310.442 0.585 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001414558271 1005360069 /nfs/dbraw/zinc/36/00/69/1005360069.db2.gz FDFPIXFZFARUCC-KFWWJZLASA-N 1 3 310.442 0.585 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001415009020 1005441150 /nfs/dbraw/zinc/44/11/50/1005441150.db2.gz FTGMWXVALOMQFK-APIJFGDWSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001415009020 1005441151 /nfs/dbraw/zinc/44/11/51/1005441151.db2.gz FTGMWXVALOMQFK-APIJFGDWSA-N 1 3 324.469 0.432 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001415304815 1005498726 /nfs/dbraw/zinc/49/87/26/1005498726.db2.gz IIIVGUZFUYRCGV-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001506070117 1016977846 /nfs/dbraw/zinc/97/78/46/1016977846.db2.gz FHLZBXXBYXUBSC-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001506070117 1016977856 /nfs/dbraw/zinc/97/78/56/1016977856.db2.gz FHLZBXXBYXUBSC-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001415518978 1005552220 /nfs/dbraw/zinc/55/22/20/1005552220.db2.gz KKUPEKJELPERQC-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@H]1C ZINC001415518978 1005552222 /nfs/dbraw/zinc/55/22/22/1005552222.db2.gz KKUPEKJELPERQC-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)N(C)C ZINC001415606115 1005574227 /nfs/dbraw/zinc/57/42/27/1005574227.db2.gz KQNCCSFQWILSTA-AWEZNQCLSA-N 1 3 300.447 0.099 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001415959438 1005636031 /nfs/dbraw/zinc/63/60/31/1005636031.db2.gz FRYBVYCXLQMUNV-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001415959438 1005636032 /nfs/dbraw/zinc/63/60/32/1005636032.db2.gz FRYBVYCXLQMUNV-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CC[NH+](C)C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001417628973 1005855087 /nfs/dbraw/zinc/85/50/87/1005855087.db2.gz NAMVLDDNIMWONB-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001417636988 1005857493 /nfs/dbraw/zinc/85/74/93/1005857493.db2.gz DFQBNZGBHWFTJM-OAHLLOKOSA-N 1 3 308.470 0.757 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001417820112 1005896705 /nfs/dbraw/zinc/89/67/05/1005896705.db2.gz QEYYYSDPBVNYPB-RDBSUJKOSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN2CC[NH+](CC3CCC3)CC2)C1 ZINC001417925856 1005927489 /nfs/dbraw/zinc/92/74/89/1005927489.db2.gz VHQCVMNIMSLIEL-MRXNPFEDSA-N 1 3 322.497 0.862 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N[C@@H](C)CC)C1)N(C)C ZINC001418041689 1005970062 /nfs/dbraw/zinc/97/00/62/1005970062.db2.gz YNVQETVZLBFYDV-MELADBBJSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001418066749 1005998621 /nfs/dbraw/zinc/99/86/21/1005998621.db2.gz YBXFMONHNVYVOI-HDJSIYSDSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC001418107789 1006049481 /nfs/dbraw/zinc/04/94/81/1006049481.db2.gz DSNJGEGTJOQQPT-QLFBSQMISA-N 1 3 322.457 0.472 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001418109959 1006052962 /nfs/dbraw/zinc/05/29/62/1006052962.db2.gz XERFSYQXQVKAHG-SPWCGHHHSA-N 1 3 324.469 0.477 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438711895 1006062016 /nfs/dbraw/zinc/06/20/16/1006062016.db2.gz UPFINYLNNXTSHK-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001436347565 1006135030 /nfs/dbraw/zinc/13/50/30/1006135030.db2.gz SULSKCBJFOYAPT-BETUJISGSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cnnn1C ZINC001438836984 1006152938 /nfs/dbraw/zinc/15/29/38/1006152938.db2.gz QSJFNVKBJDTGKX-CQSZACIVSA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001436391737 1006158913 /nfs/dbraw/zinc/15/89/13/1006158913.db2.gz TULKQWOFYPZZHF-QEJZJMRPSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001436401126 1006167062 /nfs/dbraw/zinc/16/70/62/1006167062.db2.gz FJKQMZDIUPSUNK-WKILWMFISA-N 1 3 321.469 0.787 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001438911140 1006219442 /nfs/dbraw/zinc/21/94/42/1006219442.db2.gz QZIYMSACCHWZKG-HNNXBMFYSA-N 1 3 322.453 0.616 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001438911140 1006219453 /nfs/dbraw/zinc/21/94/53/1006219453.db2.gz QZIYMSACCHWZKG-HNNXBMFYSA-N 1 3 322.453 0.616 20 0 DCADHO C[C@H](O)CN(C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001438930817 1006240615 /nfs/dbraw/zinc/24/06/15/1006240615.db2.gz BTTNPCAQORKXPU-AWEZNQCLSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](O)CN(C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001438930824 1006242179 /nfs/dbraw/zinc/24/21/79/1006242179.db2.gz BTTNPCAQORKXPU-CQSZACIVSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC1CCCC1 ZINC001418265694 1006274192 /nfs/dbraw/zinc/27/41/92/1006274192.db2.gz HYOAAGHWEBNDMN-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cncn1C ZINC001418278711 1006290943 /nfs/dbraw/zinc/29/09/43/1006290943.db2.gz AEODKANMWAOJGC-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001418300981 1006329987 /nfs/dbraw/zinc/32/99/87/1006329987.db2.gz KSUKRKFFHQYIRB-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001418300981 1006329996 /nfs/dbraw/zinc/32/99/96/1006329996.db2.gz KSUKRKFFHQYIRB-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001418310134 1006349068 /nfs/dbraw/zinc/34/90/68/1006349068.db2.gz BMFBDOYKBIXMRG-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H](C)CNC(=O)CN(C)C(C)C)n1 ZINC001418312950 1006352867 /nfs/dbraw/zinc/35/28/67/1006352867.db2.gz KMTAYYOZBMBMDN-CQSZACIVSA-N 1 3 309.458 0.934 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001418347542 1006413117 /nfs/dbraw/zinc/41/31/17/1006413117.db2.gz XUANTCYXVKHOAG-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001439063601 1006424264 /nfs/dbraw/zinc/42/42/64/1006424264.db2.gz FYCHGQGDOSNJAP-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CCCN1C ZINC001439069427 1006431133 /nfs/dbraw/zinc/43/11/33/1006431133.db2.gz DLHRFOKSUGFDJU-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@@H]1CCCNC1=O ZINC001439071787 1006433733 /nfs/dbraw/zinc/43/37/33/1006433733.db2.gz NGYXDNJUDHXPJF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@@H]1CCCNC1=O ZINC001439071787 1006433734 /nfs/dbraw/zinc/43/37/34/1006433734.db2.gz NGYXDNJUDHXPJF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439083489 1006452004 /nfs/dbraw/zinc/45/20/04/1006452004.db2.gz LXJRABBGCNNMCS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439083489 1006452009 /nfs/dbraw/zinc/45/20/09/1006452009.db2.gz LXJRABBGCNNMCS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439085660 1006452625 /nfs/dbraw/zinc/45/26/25/1006452625.db2.gz URMBWWSJKPVFBN-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439085660 1006452633 /nfs/dbraw/zinc/45/26/33/1006452633.db2.gz URMBWWSJKPVFBN-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001436933880 1006464065 /nfs/dbraw/zinc/46/40/65/1006464065.db2.gz FWRKZAGPWBLDDE-SHTZXODSSA-N 1 3 318.421 0.345 20 0 DCADHO CC[C@H](F)CNC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001439164100 1006532682 /nfs/dbraw/zinc/53/26/82/1006532682.db2.gz PMEINPDCBMPKOJ-OLZOCXBDSA-N 1 3 303.422 0.940 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001437058779 1006555048 /nfs/dbraw/zinc/55/50/48/1006555048.db2.gz SKVYGLWTERRTEJ-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001437058779 1006555061 /nfs/dbraw/zinc/55/50/61/1006555061.db2.gz SKVYGLWTERRTEJ-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCO)C1 ZINC001437057894 1006558504 /nfs/dbraw/zinc/55/85/04/1006558504.db2.gz CWCHWHANLLQVTD-GXTWGEPZSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001437057894 1006558515 /nfs/dbraw/zinc/55/85/15/1006558515.db2.gz CWCHWHANLLQVTD-GXTWGEPZSA-N 1 3 308.426 0.860 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001439219670 1006596954 /nfs/dbraw/zinc/59/69/54/1006596954.db2.gz CJBRBDSXFLJGFH-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N[C@@H]2CCN(C)C2=O)CC1 ZINC001437236636 1006745894 /nfs/dbraw/zinc/74/58/94/1006745894.db2.gz RYPURVAPKJGEDW-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001439407792 1006828325 /nfs/dbraw/zinc/82/83/25/1006828325.db2.gz NKJRLQOAMRLHDL-AWEZNQCLSA-N 1 3 322.453 0.662 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001439407792 1006828334 /nfs/dbraw/zinc/82/83/34/1006828334.db2.gz NKJRLQOAMRLHDL-AWEZNQCLSA-N 1 3 322.453 0.662 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001437311272 1006828513 /nfs/dbraw/zinc/82/85/13/1006828513.db2.gz PJWMMZXYCBICNI-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2C[C@H]2CCCOC2)CC1 ZINC001439546941 1006989507 /nfs/dbraw/zinc/98/95/07/1006989507.db2.gz PEXUBIRIGHUNAK-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439773715 1007188757 /nfs/dbraw/zinc/18/87/57/1007188757.db2.gz XBFOMTSWEMOLEA-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+]1CCCCCC1 ZINC001439781776 1007190621 /nfs/dbraw/zinc/19/06/21/1007190621.db2.gz DUUUQDQRNKFRNZ-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC2CC(C)C2)C1 ZINC001440020894 1007424606 /nfs/dbraw/zinc/42/46/06/1007424606.db2.gz TWLSBUPBWWSPFN-DQPZFDDXSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC(C)C2)C1 ZINC001440020894 1007424612 /nfs/dbraw/zinc/42/46/12/1007424612.db2.gz TWLSBUPBWWSPFN-DQPZFDDXSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](C(=O)N(C)CCN[C@H]1CCCNC1=O)[NH+]1CCCCCC1 ZINC001437846303 1007461832 /nfs/dbraw/zinc/46/18/32/1007461832.db2.gz RXMCMQHTOJDMMB-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)N1CCCCC1 ZINC001437846854 1007462386 /nfs/dbraw/zinc/46/23/86/1007462386.db2.gz NSLMULWHZVEUFU-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440112753 1007497400 /nfs/dbraw/zinc/49/74/00/1007497400.db2.gz KGUADJLEGASPHJ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437983987 1007559928 /nfs/dbraw/zinc/55/99/28/1007559928.db2.gz AHAMOXPVGGJMGY-JSGCOSHPSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001437983987 1007559931 /nfs/dbraw/zinc/55/99/31/1007559931.db2.gz AHAMOXPVGGJMGY-JSGCOSHPSA-N 1 3 310.442 0.125 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)N3CCCC3)CCC2)C1 ZINC001440353549 1007689453 /nfs/dbraw/zinc/68/94/53/1007689453.db2.gz MVBACQMFJZVWMH-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)N3CCCC3)CCC2)C1 ZINC001440353549 1007689454 /nfs/dbraw/zinc/68/94/54/1007689454.db2.gz MVBACQMFJZVWMH-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H]1CCN(C)C1=O ZINC001438322990 1007819013 /nfs/dbraw/zinc/81/90/13/1007819013.db2.gz KEBKGNNIFYEBGQ-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCN(CC)C1=O ZINC001438340713 1007841236 /nfs/dbraw/zinc/84/12/36/1007841236.db2.gz FRFQFSRDTJSWJP-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCn2cncn2)[C@H](C)C1 ZINC001440653181 1007941619 /nfs/dbraw/zinc/94/16/19/1007941619.db2.gz YLUXRXWAXXLDHD-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCn2cncn2)[C@H](C)C1 ZINC001440653181 1007941623 /nfs/dbraw/zinc/94/16/23/1007941623.db2.gz YLUXRXWAXXLDHD-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCO)CCC1 ZINC001440719356 1007970640 /nfs/dbraw/zinc/97/06/40/1007970640.db2.gz IUWZFRZYVIURGS-HZPDHXFCSA-N 1 3 317.433 0.835 20 0 DCADHO C[C@@H](NCC(=O)N1CCCC1)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001440818730 1008045327 /nfs/dbraw/zinc/04/53/27/1008045327.db2.gz LTJOSTMRPIFOOM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001440879219 1008083379 /nfs/dbraw/zinc/08/33/79/1008083379.db2.gz BKOCPLHPIBNIPA-OLZOCXBDSA-N 1 3 312.458 0.276 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)n[nH]1 ZINC001441823417 1008521265 /nfs/dbraw/zinc/52/12/65/1008521265.db2.gz MKDUJFLWUPYMTB-DGCLKSJQSA-N 1 3 308.430 0.534 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)CC[NH+](C)C ZINC001441825116 1008524076 /nfs/dbraw/zinc/52/40/76/1008524076.db2.gz OKXSRZDETQEVRM-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001441835084 1008540536 /nfs/dbraw/zinc/54/05/36/1008540536.db2.gz AUHKSIGRAVPWDI-KGLIPLIRSA-N 1 3 324.469 0.574 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CCC)C1 ZINC001441874291 1008609938 /nfs/dbraw/zinc/60/99/38/1008609938.db2.gz PGYHHQKXRVQZIA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001441911858 1008648581 /nfs/dbraw/zinc/64/85/81/1008648581.db2.gz FFHPAYJVLJAGCU-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001421555086 1008718508 /nfs/dbraw/zinc/71/85/08/1008718508.db2.gz XMBCKWRQEIVUAJ-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N[C@@H]2CCCNC2=O)CC1 ZINC001441997229 1008778149 /nfs/dbraw/zinc/77/81/49/1008778149.db2.gz OTBLBMJOIPIAJO-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001433443360 1008792194 /nfs/dbraw/zinc/79/21/94/1008792194.db2.gz BVGTYIRPKXHUKQ-VHDGCEQUSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001454405259 1009121363 /nfs/dbraw/zinc/12/13/63/1009121363.db2.gz RVGUVIFHBPMSMD-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001454405259 1009121374 /nfs/dbraw/zinc/12/13/74/1009121374.db2.gz RVGUVIFHBPMSMD-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001433741167 1009137706 /nfs/dbraw/zinc/13/77/06/1009137706.db2.gz AFOWMHWZMLYRPQ-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)NCc1cnns1 ZINC001442289968 1009162454 /nfs/dbraw/zinc/16/24/54/1009162454.db2.gz FVPDDBQOWFHSAA-LLVKDONJSA-N 1 3 311.455 0.864 20 0 DCADHO Cc1nnc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001422032282 1009417051 /nfs/dbraw/zinc/41/70/51/1009417051.db2.gz QAHYNKGRTZBEAK-DGCLKSJQSA-N 1 3 308.430 0.391 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@H+](C)C[C@@H]1CCNC(=O)CC1 ZINC001442620460 1009530575 /nfs/dbraw/zinc/53/05/75/1009530575.db2.gz NSLFIHWNVFGJDK-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)C[C@@H]1CCNC(=O)CC1 ZINC001442620460 1009530587 /nfs/dbraw/zinc/53/05/87/1009530587.db2.gz NSLFIHWNVFGJDK-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)C[C@H]1CCc2ncnn21 ZINC001442754309 1009700043 /nfs/dbraw/zinc/70/00/43/1009700043.db2.gz DUHBVOHOGSBTMF-CQSZACIVSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)C[C@H]1CCc2ncnn21 ZINC001442754309 1009700051 /nfs/dbraw/zinc/70/00/51/1009700051.db2.gz DUHBVOHOGSBTMF-CQSZACIVSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CC(CNCc2ccn(C)n2)C1 ZINC001422286603 1009782097 /nfs/dbraw/zinc/78/20/97/1009782097.db2.gz TZTDUWNSGGALMO-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CC(CNCc2ccn(C)n2)C1 ZINC001422286603 1009782111 /nfs/dbraw/zinc/78/21/11/1009782111.db2.gz TZTDUWNSGGALMO-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001422318838 1009862675 /nfs/dbraw/zinc/86/26/75/1009862675.db2.gz SSLDVUPGEALJEK-OAHLLOKOSA-N 1 3 320.437 0.441 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)CC[NH+](C)C ZINC001455689635 1009908288 /nfs/dbraw/zinc/90/82/88/1009908288.db2.gz WYWONCXWDXBYTL-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCc1ccns1)[NH+](C)C ZINC001422394498 1010014334 /nfs/dbraw/zinc/01/43/34/1010014334.db2.gz BNGFULRSKVGFMW-DGCLKSJQSA-N 1 3 314.455 0.296 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)Cc1c[nH]cn1 ZINC001456120529 1010100450 /nfs/dbraw/zinc/10/04/50/1010100450.db2.gz LHGCAYAWLKYAIX-ZDUSSCGKSA-N 1 3 321.425 0.211 20 0 DCADHO CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCCCN1CC)C(N)=O ZINC001422451966 1010107303 /nfs/dbraw/zinc/10/73/03/1010107303.db2.gz QANDNTFOHJZKCS-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCC[NH+]1CCCC1 ZINC001443102708 1010142529 /nfs/dbraw/zinc/14/25/29/1010142529.db2.gz QAWNHAOYPZWXKS-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN(C)C3CCC3)C2)C1 ZINC001456308798 1010186852 /nfs/dbraw/zinc/18/68/52/1010186852.db2.gz TZGIXXLEQSHTBD-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN(C)C3CCC3)C2)C1 ZINC001456308798 1010186863 /nfs/dbraw/zinc/18/68/63/1010186863.db2.gz TZGIXXLEQSHTBD-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422508723 1010204789 /nfs/dbraw/zinc/20/47/89/1010204789.db2.gz VLSUDUHOOVSFKQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1nccc1CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001443245610 1010260029 /nfs/dbraw/zinc/26/00/29/1010260029.db2.gz NCXFPNXSUBQKIF-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001443262574 1010274186 /nfs/dbraw/zinc/27/41/86/1010274186.db2.gz CGPXRFIZMRCZLY-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001443262574 1010274200 /nfs/dbraw/zinc/27/42/00/1010274200.db2.gz CGPXRFIZMRCZLY-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001443350232 1010359568 /nfs/dbraw/zinc/35/95/68/1010359568.db2.gz RAXXEABLIFZJPB-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001443350232 1010359581 /nfs/dbraw/zinc/35/95/81/1010359581.db2.gz RAXXEABLIFZJPB-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CCN(C)C(=O)CN1CCCC1)C(C)C ZINC001422669890 1010471817 /nfs/dbraw/zinc/47/18/17/1010471817.db2.gz NRICUQVQCNLJIP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001422917258 1010738122 /nfs/dbraw/zinc/73/81/22/1010738122.db2.gz KYWSYPMEXGNMID-IHRRRGAJSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H](CNCC(N)=O)C1CC1 ZINC001422989416 1010790402 /nfs/dbraw/zinc/79/04/02/1010790402.db2.gz OYMLASJVUYGVBY-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H](CNCC(N)=O)C1CC1 ZINC001422989416 1010790414 /nfs/dbraw/zinc/79/04/14/1010790414.db2.gz OYMLASJVUYGVBY-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001423122160 1010903713 /nfs/dbraw/zinc/90/37/13/1010903713.db2.gz AOIJUDYPCPKOQO-GFCCVEGCSA-N 1 3 300.447 0.147 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001444308624 1010954185 /nfs/dbraw/zinc/95/41/85/1010954185.db2.gz LGIYLBAWDGHJGG-XJKSGUPXSA-N 1 3 319.453 0.604 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001423329059 1011078999 /nfs/dbraw/zinc/07/89/99/1011078999.db2.gz PUNIOWHKWIXXLE-KGLIPLIRSA-N 1 3 322.457 0.637 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001444625433 1011102787 /nfs/dbraw/zinc/10/27/87/1011102787.db2.gz FFTICJXFVGLXED-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001423407956 1011128743 /nfs/dbraw/zinc/12/87/43/1011128743.db2.gz ZBENGPLSQGUAKK-TZMCWYRMSA-N 1 3 312.458 0.145 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001423469860 1011170945 /nfs/dbraw/zinc/17/09/45/1011170945.db2.gz QQRZRXPSIHOAPU-VXGBXAGGSA-N 1 3 307.398 0.057 20 0 DCADHO CCN(CCNC(=O)CN(C)C(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001431641846 1011495004 /nfs/dbraw/zinc/49/50/04/1011495004.db2.gz MJRDXJNAMPCRCU-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C)cc1 ZINC001445265044 1011595839 /nfs/dbraw/zinc/59/58/39/1011595839.db2.gz JIVCIXLCLOKKQU-MRXNPFEDSA-N 1 3 307.438 0.902 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001445330916 1011663560 /nfs/dbraw/zinc/66/35/60/1011663560.db2.gz SUZGIXGJMXAUKJ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(C)C ZINC001445379964 1011707501 /nfs/dbraw/zinc/70/75/01/1011707501.db2.gz MFTXLWBXEOJBJS-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(C)C ZINC001445379964 1011707513 /nfs/dbraw/zinc/70/75/13/1011707513.db2.gz MFTXLWBXEOJBJS-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCc2n[nH]c(C)n2)C1 ZINC001445432056 1011761213 /nfs/dbraw/zinc/76/12/13/1011761213.db2.gz ZNDJPMYQQAQNNB-TZMCWYRMSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCc2n[nH]c(C)n2)C1 ZINC001445432056 1011761227 /nfs/dbraw/zinc/76/12/27/1011761227.db2.gz ZNDJPMYQQAQNNB-TZMCWYRMSA-N 1 3 322.457 0.829 20 0 DCADHO C[C@@H]1CN(C(=O)c2csc(N3CC[NH2+]CC3)n2)C[C@@H](C)N1 ZINC001553355642 1011912192 /nfs/dbraw/zinc/91/21/92/1011912192.db2.gz AIMRJQYYRYXIIR-GHMZBOCLSA-N 1 3 309.439 0.375 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CCCC1 ZINC001553510830 1012054165 /nfs/dbraw/zinc/05/41/65/1012054165.db2.gz YWYSNOYMDFFNGE-HRCADAONSA-N 1 3 324.469 0.745 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553544007 1012095490 /nfs/dbraw/zinc/09/54/90/1012095490.db2.gz BZMRVVXGSRBGSV-WCVJEAGWSA-N 1 3 324.469 0.473 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001458225252 1012110344 /nfs/dbraw/zinc/11/03/44/1012110344.db2.gz KSOLSSPLWFCGQH-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001424179618 1012132538 /nfs/dbraw/zinc/13/25/38/1012132538.db2.gz AOGAXIVHOAXZKP-AWEZNQCLSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001424179618 1012132548 /nfs/dbraw/zinc/13/25/48/1012132548.db2.gz AOGAXIVHOAXZKP-AWEZNQCLSA-N 1 3 322.453 0.507 20 0 DCADHO CC[C@@H](C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1)OC ZINC001424227842 1012195734 /nfs/dbraw/zinc/19/57/34/1012195734.db2.gz JJLBVCDPFBATON-UONOGXRCSA-N 1 3 310.398 0.194 20 0 DCADHO CC[C@@H](C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1)OC ZINC001424227839 1012196468 /nfs/dbraw/zinc/19/64/68/1012196468.db2.gz JJLBVCDPFBATON-KBPBESRZSA-N 1 3 310.398 0.194 20 0 DCADHO CCn1cc(CCN(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001445871407 1012379323 /nfs/dbraw/zinc/37/93/23/1012379323.db2.gz POSKYNWWNMLYNM-HOCLYGCPSA-N 1 3 321.469 0.834 20 0 DCADHO CCn1cc(CCN(C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001445871407 1012379338 /nfs/dbraw/zinc/37/93/38/1012379338.db2.gz POSKYNWWNMLYNM-HOCLYGCPSA-N 1 3 321.469 0.834 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001424331598 1012386632 /nfs/dbraw/zinc/38/66/32/1012386632.db2.gz NBVBENQPDIKFBM-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001424331598 1012386648 /nfs/dbraw/zinc/38/66/48/1012386648.db2.gz NBVBENQPDIKFBM-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC2CC2)C1 ZINC001424479797 1012556056 /nfs/dbraw/zinc/55/60/56/1012556056.db2.gz ZTCZANBZBHPODI-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC2CC2)C1 ZINC001424479797 1012556073 /nfs/dbraw/zinc/55/60/73/1012556073.db2.gz ZTCZANBZBHPODI-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574573 1012747499 /nfs/dbraw/zinc/74/74/99/1012747499.db2.gz GGUHHTNNWMHSIY-GDBMZVCRSA-N 1 3 303.406 0.794 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548575146 1012747816 /nfs/dbraw/zinc/74/78/16/1012747816.db2.gz XTAMTSMRMQOLHZ-GFCCVEGCSA-N 1 3 309.435 0.580 20 0 DCADHO COCCN1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001446795779 1012989047 /nfs/dbraw/zinc/98/90/47/1012989047.db2.gz RAZDQDBQVVIOHT-MRXNPFEDSA-N 1 3 313.442 0.062 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001432922705 1013003356 /nfs/dbraw/zinc/00/33/56/1013003356.db2.gz DMIGYQUDGZYQDI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001509500804 1017333932 /nfs/dbraw/zinc/33/39/32/1017333932.db2.gz DNSAROSKFCYONG-ZDUSSCGKSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001479298870 1017486168 /nfs/dbraw/zinc/48/61/68/1017486168.db2.gz GHFAUHQFPBTQHJ-XBXGTLAGSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](O)CCC[NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001479320136 1017493728 /nfs/dbraw/zinc/49/37/28/1017493728.db2.gz AIBTXSQIPMMBPQ-XUWVNRHRSA-N 1 3 311.470 0.974 20 0 DCADHO CNC(=O)CN1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001506853612 1017614985 /nfs/dbraw/zinc/61/49/85/1017614985.db2.gz KHWIJRRZXGSRIJ-ZNMIVQPWSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001506970779 1017720827 /nfs/dbraw/zinc/72/08/27/1017720827.db2.gz SNCSCBBCTMBGLC-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001506970779 1017720841 /nfs/dbraw/zinc/72/08/41/1017720841.db2.gz SNCSCBBCTMBGLC-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccc(F)c(F)c1 ZINC001497049564 1017786130 /nfs/dbraw/zinc/78/61/30/1017786130.db2.gz XJHBBTFKSKLJGJ-LBPRGKRZSA-N 1 3 315.364 0.483 20 0 DCADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H]2CCOC2)CC1 ZINC001494666766 1017934640 /nfs/dbraw/zinc/93/46/40/1017934640.db2.gz KMTSKXDNSYASAE-ILXRZTDVSA-N 1 3 307.438 0.650 20 0 DCADHO C[C@@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001497205110 1017967584 /nfs/dbraw/zinc/96/75/84/1017967584.db2.gz HBUYKVXQYSMBDX-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nccnc1CNCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497321114 1018045108 /nfs/dbraw/zinc/04/51/08/1018045108.db2.gz BQZVLCWUYNTGHV-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1nccnc1CNCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497321114 1018045117 /nfs/dbraw/zinc/04/51/17/1018045117.db2.gz BQZVLCWUYNTGHV-JSGCOSHPSA-N 1 3 305.426 0.721 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1C ZINC001499852154 1018104734 /nfs/dbraw/zinc/10/47/34/1018104734.db2.gz DNJRIJXSWXFHAD-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1C ZINC001499852151 1018104758 /nfs/dbraw/zinc/10/47/58/1018104758.db2.gz DNJRIJXSWXFHAD-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCC1 ZINC001499857057 1018106687 /nfs/dbraw/zinc/10/66/87/1018106687.db2.gz HSWYQNNIKRZZOP-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2CNCCF)n1 ZINC001499896261 1018124158 /nfs/dbraw/zinc/12/41/58/1018124158.db2.gz HYEABDWVWOIMTR-ZDUSSCGKSA-N 1 3 311.405 0.608 20 0 DCADHO CCCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001494981000 1018202246 /nfs/dbraw/zinc/20/22/46/1018202246.db2.gz JPRMWRVTRZDXFJ-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001494981000 1018202253 /nfs/dbraw/zinc/20/22/53/1018202253.db2.gz JPRMWRVTRZDXFJ-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC(=O)NC ZINC001494981494 1018203014 /nfs/dbraw/zinc/20/30/14/1018203014.db2.gz PGCHVVQWEAAVMS-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)NC1CC1 ZINC001494983965 1018208170 /nfs/dbraw/zinc/20/81/70/1018208170.db2.gz ZITCOZAKGICXND-VHDGCEQUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)NC1CC1 ZINC001494983965 1018208183 /nfs/dbraw/zinc/20/81/83/1018208183.db2.gz ZITCOZAKGICXND-VHDGCEQUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001480146820 1018253939 /nfs/dbraw/zinc/25/39/39/1018253939.db2.gz HUHHBSVIJSWOPR-MGPQQGTHSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)NCC(=O)NC ZINC001495087081 1018302651 /nfs/dbraw/zinc/30/26/51/1018302651.db2.gz RIQLQFMLDHQWFG-CQSZACIVSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCN(C)C1=O ZINC001495137396 1018343403 /nfs/dbraw/zinc/34/34/03/1018343403.db2.gz KKCUBLXMIFXLLR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001500382065 1018433520 /nfs/dbraw/zinc/43/35/20/1018433520.db2.gz JXWPLYOTCMWFRV-MLGOLLRUSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001495577585 1018583442 /nfs/dbraw/zinc/58/34/42/1018583442.db2.gz HOWRYZFIUUDNSL-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001495577585 1018583449 /nfs/dbraw/zinc/58/34/49/1018583449.db2.gz HOWRYZFIUUDNSL-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001495688940 1018651499 /nfs/dbraw/zinc/65/14/99/1018651499.db2.gz YEVHALLSFCVYLR-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNCc1cccc(C(N)=O)c1)NC(=O)CC[NH+](C)C ZINC001498104565 1018654837 /nfs/dbraw/zinc/65/48/37/1018654837.db2.gz FFMXTYJFTYGAQX-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001480576464 1018676092 /nfs/dbraw/zinc/67/60/92/1018676092.db2.gz GGQZCWCKRHLIIW-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccn(C)n1 ZINC001495743189 1018678671 /nfs/dbraw/zinc/67/86/71/1018678671.db2.gz NDSAQBRTMUHJAP-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001495755832 1018682673 /nfs/dbraw/zinc/68/26/73/1018682673.db2.gz XXQBLMAVYLIGDD-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001480602051 1018697905 /nfs/dbraw/zinc/69/79/05/1018697905.db2.gz JCVDJVZQHVVSKH-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](CNCc3cnns3)C2)CC1 ZINC001480662864 1018754125 /nfs/dbraw/zinc/75/41/25/1018754125.db2.gz ZNSJSMBXNVSBOT-LBPRGKRZSA-N 1 3 323.466 0.818 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC001480679148 1018769786 /nfs/dbraw/zinc/76/97/86/1018769786.db2.gz HDBWCXGKHFHCDZ-HOTGVXAUSA-N 1 3 309.454 0.947 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC)C2 ZINC001501013562 1018803686 /nfs/dbraw/zinc/80/36/86/1018803686.db2.gz SUFOGBNLNYEUMA-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC)C2 ZINC001501013562 1018803703 /nfs/dbraw/zinc/80/37/03/1018803703.db2.gz SUFOGBNLNYEUMA-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496060933 1019024772 /nfs/dbraw/zinc/02/47/72/1019024772.db2.gz JCAXCTYGPVPKKH-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001496081790 1019042305 /nfs/dbraw/zinc/04/23/05/1019042305.db2.gz NKZWZSVCEKNLJV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001496081790 1019042323 /nfs/dbraw/zinc/04/23/23/1019042323.db2.gz NKZWZSVCEKNLJV-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001496081799 1019044722 /nfs/dbraw/zinc/04/47/22/1019044722.db2.gz NKZWZSVCEKNLJV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001496081799 1019044730 /nfs/dbraw/zinc/04/47/30/1019044730.db2.gz NKZWZSVCEKNLJV-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001493058655 1019051251 /nfs/dbraw/zinc/05/12/51/1019051251.db2.gz NVGCDLDCOFAQDO-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001493058655 1019051265 /nfs/dbraw/zinc/05/12/65/1019051265.db2.gz NVGCDLDCOFAQDO-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@H](C[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496169621 1019132175 /nfs/dbraw/zinc/13/21/75/1019132175.db2.gz LDLUPOJAFGREGY-CHWSQXEVSA-N 1 3 321.425 0.305 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001496194815 1019153451 /nfs/dbraw/zinc/15/34/51/1019153451.db2.gz KVNRVKMKJWGKEZ-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001498603913 1019263028 /nfs/dbraw/zinc/26/30/28/1019263028.db2.gz SSNZJLPLQDCXCV-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001498819439 1019446921 /nfs/dbraw/zinc/44/69/21/1019446921.db2.gz TVOUIFIJFNKAGE-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001493681483 1019626703 /nfs/dbraw/zinc/62/67/03/1019626703.db2.gz KMTRFPGCFWWXSQ-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001502057740 1019669289 /nfs/dbraw/zinc/66/92/89/1019669289.db2.gz FNXQFLJXGVVSLW-HIFRSBDPSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001499097163 1019740685 /nfs/dbraw/zinc/74/06/85/1019740685.db2.gz YAHAJWRMEMXJSJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001499097163 1019740703 /nfs/dbraw/zinc/74/07/03/1019740703.db2.gz YAHAJWRMEMXJSJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001494146144 1020018461 /nfs/dbraw/zinc/01/84/61/1020018461.db2.gz NDGFYNWWTSWAHY-RBSFLKMASA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001494146144 1020018470 /nfs/dbraw/zinc/01/84/70/1020018470.db2.gz NDGFYNWWTSWAHY-RBSFLKMASA-N 1 3 315.458 0.114 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001494235019 1020092368 /nfs/dbraw/zinc/09/23/68/1020092368.db2.gz MAIYNVAQALCKKG-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO [NH3+]CC1(C(=O)NC[C@@H]2NCCc3ccccc32)CCOCC1 ZINC000375969198 283424052 /nfs/dbraw/zinc/42/40/52/283424052.db2.gz NMKHWGXCKWOVRZ-HNNXBMFYSA-N 1 3 303.406 0.745 20 0 DCADHO CC1CC[NH+](CCN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000153763257 291208702 /nfs/dbraw/zinc/20/87/02/291208702.db2.gz SBPNOBGZXLXYJC-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO COCCN(C)C[C@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000319564887 291256804 /nfs/dbraw/zinc/25/68/04/291256804.db2.gz PVLYCUPHFCCCLL-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419985436 240000259 /nfs/dbraw/zinc/00/02/59/240000259.db2.gz FHMVBKMWTIMSCT-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000420813669 240060561 /nfs/dbraw/zinc/06/05/61/240060561.db2.gz YOFQKCLQEAFFJK-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C[C@@H]1C[NH3+] ZINC000423580478 240216458 /nfs/dbraw/zinc/21/64/58/240216458.db2.gz RXLIBVIAEYAVSF-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)[C@H]1C[NH3+] ZINC000430546114 240398691 /nfs/dbraw/zinc/39/86/91/240398691.db2.gz IXZADTNVKLOIIN-CJNGLKHVSA-N 1 3 308.470 0.789 20 0 DCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(CCCO)C1 ZINC000457837540 241041602 /nfs/dbraw/zinc/04/16/02/241041602.db2.gz OTXOFIIUSCBIKI-PMPSAXMXSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(CCCO)C1 ZINC000457837540 241041610 /nfs/dbraw/zinc/04/16/10/241041610.db2.gz OTXOFIIUSCBIKI-PMPSAXMXSA-N 1 3 324.469 0.759 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN(C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000567893082 291388469 /nfs/dbraw/zinc/38/84/69/291388469.db2.gz RMAQJRHJTDXPBR-CVEARBPZSA-N 1 3 304.438 0.699 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(CC[NH3+])CC1 ZINC000568056912 291400595 /nfs/dbraw/zinc/40/05/95/291400595.db2.gz GZHJAJXDUUOUIZ-OCCSQVGLSA-N 1 3 310.442 0.160 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000104382305 194004081 /nfs/dbraw/zinc/00/40/81/194004081.db2.gz UGKDRWUNWKPOTD-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000104382305 194004083 /nfs/dbraw/zinc/00/40/83/194004083.db2.gz UGKDRWUNWKPOTD-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000339670277 253124650 /nfs/dbraw/zinc/12/46/50/253124650.db2.gz NHDHJKAXIKJCAF-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339632675 253117083 /nfs/dbraw/zinc/11/70/83/253117083.db2.gz GQCOXIJZHYGDJY-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339632675 253117085 /nfs/dbraw/zinc/11/70/85/253117085.db2.gz GQCOXIJZHYGDJY-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](Cc1cnn(C)c1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563084151 288627120 /nfs/dbraw/zinc/62/71/20/288627120.db2.gz FWZTZYJJLBQZDN-AWEZNQCLSA-N 1 3 324.473 0.486 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000340118550 253203194 /nfs/dbraw/zinc/20/31/94/253203194.db2.gz DOUHPIMUNOJWGW-OAGGEKHMSA-N 1 3 310.486 0.751 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000340784270 253303358 /nfs/dbraw/zinc/30/33/58/253303358.db2.gz WNBPVASSBCPCCW-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340830366 253311586 /nfs/dbraw/zinc/31/15/86/253311586.db2.gz RXTNWMXUWGILLD-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340830366 253311588 /nfs/dbraw/zinc/31/15/88/253311588.db2.gz RXTNWMXUWGILLD-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](C)C1 ZINC000346146953 254015857 /nfs/dbraw/zinc/01/58/57/254015857.db2.gz WEBXBHROFWISSA-YVSFHVDLSA-N 1 3 320.481 0.565 20 0 DCADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](C)C1 ZINC000346146953 254015859 /nfs/dbraw/zinc/01/58/59/254015859.db2.gz WEBXBHROFWISSA-YVSFHVDLSA-N 1 3 320.481 0.565 20 0 DCADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000346961069 254118273 /nfs/dbraw/zinc/11/82/73/254118273.db2.gz LBBFODDFOBEWSV-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000347080296 254127233 /nfs/dbraw/zinc/12/72/33/254127233.db2.gz XFHANGGWOMWVTC-CQSZACIVSA-N 1 3 301.394 0.850 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000348872979 254263225 /nfs/dbraw/zinc/26/32/25/254263225.db2.gz DJJQYOAGBJJEMC-PBWFPOADSA-N 1 3 306.410 0.141 20 0 DCADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000348872979 254263226 /nfs/dbraw/zinc/26/32/26/254263226.db2.gz DJJQYOAGBJJEMC-PBWFPOADSA-N 1 3 306.410 0.141 20 0 DCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CCOC1C[NH2+]C1 ZINC000348987850 254267930 /nfs/dbraw/zinc/26/79/30/254267930.db2.gz ABLMTIXFFOGHQD-HNNXBMFYSA-N 1 3 305.422 0.654 20 0 DCADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]12 ZINC000351496391 254339946 /nfs/dbraw/zinc/33/99/46/254339946.db2.gz RMQHVRXRMLBLCX-OPRDCNLKSA-N 1 3 322.331 0.434 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000352096411 254397825 /nfs/dbraw/zinc/39/78/25/254397825.db2.gz FRVGIWIACUAKDY-GXTWGEPZSA-N 1 3 314.474 0.569 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCNCC2)CC1=O ZINC000178357062 285255326 /nfs/dbraw/zinc/25/53/26/285255326.db2.gz SVYREURKAQYYJC-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCNCC2)CC1=O ZINC000178357062 285255329 /nfs/dbraw/zinc/25/53/29/285255329.db2.gz SVYREURKAQYYJC-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000289619189 221106656 /nfs/dbraw/zinc/10/66/56/221106656.db2.gz AYNSWESAXVEIIR-AWEZNQCLSA-N 1 3 307.394 0.515 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000417300248 262249175 /nfs/dbraw/zinc/24/91/75/262249175.db2.gz ACRDMFQMNQHYKQ-CQSZACIVSA-N 1 3 300.447 0.642 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000236839078 395898443 /nfs/dbraw/zinc/89/84/43/395898443.db2.gz LCKWYZATQZXIFQ-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237661364 395917632 /nfs/dbraw/zinc/91/76/32/395917632.db2.gz LQVYYAGRVNXXJL-CYBMUJFWSA-N 1 3 320.441 0.807 20 0 DCADHO COc1ccccc1OCCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261622977 396050075 /nfs/dbraw/zinc/05/00/75/396050075.db2.gz BAFJGLSWRMCGKM-AWEZNQCLSA-N 1 3 321.421 0.861 20 0 DCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000277113714 396050592 /nfs/dbraw/zinc/05/05/92/396050592.db2.gz VZTCSYHSUHKTOQ-LSDHHAIUSA-N 1 3 319.453 0.693 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1 ZINC000261978587 396086677 /nfs/dbraw/zinc/08/66/77/396086677.db2.gz BWAIJPVBHYDRRZ-HNNXBMFYSA-N 1 3 306.410 0.834 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC(CC[NH2+]C)CC2)CC1 ZINC000262009593 396090097 /nfs/dbraw/zinc/09/00/97/396090097.db2.gz SWEGLHWDXDXXLI-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H]1CN(CCC2CCN(C(=O)C3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000262227926 396113035 /nfs/dbraw/zinc/11/30/35/396113035.db2.gz LRUOOMINIVJJTD-KBPBESRZSA-N 1 3 309.454 0.944 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000278310453 396118535 /nfs/dbraw/zinc/11/85/35/396118535.db2.gz SVPQUHRVVGHTMQ-INIZCTEOSA-N 1 3 323.437 0.650 20 0 DCADHO O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(N2CCNCC2)cn1 ZINC000261879203 396075053 /nfs/dbraw/zinc/07/50/53/396075053.db2.gz SWVNHYXHOAXWNG-CYBMUJFWSA-N 1 3 303.410 0.819 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073611256 396148268 /nfs/dbraw/zinc/14/82/68/396148268.db2.gz UNOWQGKYCHOIKY-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073611256 396148272 /nfs/dbraw/zinc/14/82/72/396148272.db2.gz UNOWQGKYCHOIKY-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000074267262 396162954 /nfs/dbraw/zinc/16/29/54/396162954.db2.gz UILKYFLPGSYPHJ-GDBMZVCRSA-N 1 3 324.469 0.975 20 0 DCADHO CCC[C@](C)([NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000262717635 396175663 /nfs/dbraw/zinc/17/56/63/396175663.db2.gz WJOSXNGOCWABNE-INIZCTEOSA-N 1 3 313.442 0.895 20 0 DCADHO CCS(=O)(=O)C[C@H](C)[NH2+]CC1CCN(CCN(C)C)CC1 ZINC000182834665 396255117 /nfs/dbraw/zinc/25/51/17/396255117.db2.gz PQHZKEXDLMKAEN-AWEZNQCLSA-N 1 3 319.515 0.673 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000265626324 396331160 /nfs/dbraw/zinc/33/11/60/396331160.db2.gz IQGXXKFXWDFPTD-GQCTYLIASA-N 1 3 311.426 0.496 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000372025311 396483421 /nfs/dbraw/zinc/48/34/21/396483421.db2.gz HSQNTZACLPANNN-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000372025311 396483424 /nfs/dbraw/zinc/48/34/24/396483424.db2.gz HSQNTZACLPANNN-IAGOWNOFSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000372047040 396484432 /nfs/dbraw/zinc/48/44/32/396484432.db2.gz VSYPHJUOEKBDOE-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000372047040 396484436 /nfs/dbraw/zinc/48/44/36/396484436.db2.gz VSYPHJUOEKBDOE-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO N[C@H](CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581249748 396537756 /nfs/dbraw/zinc/53/77/56/396537756.db2.gz GIGKYFAJGABGCO-LSDHHAIUSA-N 1 3 318.421 0.390 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000581662532 396572869 /nfs/dbraw/zinc/57/28/69/396572869.db2.gz NIQIWSOEZAZQOJ-STQMWFEESA-N 1 3 319.405 0.573 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)CC1 ZINC000582329352 396604232 /nfs/dbraw/zinc/60/42/32/396604232.db2.gz MXHVAHGYDJPJCV-MSOLQXFVSA-N 1 3 324.513 0.542 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)CC1 ZINC000582329352 396604235 /nfs/dbraw/zinc/60/42/35/396604235.db2.gz MXHVAHGYDJPJCV-MSOLQXFVSA-N 1 3 324.513 0.542 20 0 DCADHO CN(C)CCn1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000582428840 396610488 /nfs/dbraw/zinc/61/04/88/396610488.db2.gz BAVOYGQDOCKTSZ-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO CN(C)CCn1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000582428840 396610492 /nfs/dbraw/zinc/61/04/92/396610492.db2.gz BAVOYGQDOCKTSZ-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000562981604 396690149 /nfs/dbraw/zinc/69/01/49/396690149.db2.gz XIEWHXBCBZVYLL-JSGCOSHPSA-N 1 3 302.378 0.142 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)CCC1CC[NH2+]CC1 ZINC000563083405 396700528 /nfs/dbraw/zinc/70/05/28/396700528.db2.gz KZWLQRBNAYYIDU-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595983302 396702955 /nfs/dbraw/zinc/70/29/55/396702955.db2.gz MQWBEWZVXLPQFR-STQMWFEESA-N 1 3 303.472 0.636 20 0 DCADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CC[C@@H]1C(F)(F)F ZINC000629561695 396788629 /nfs/dbraw/zinc/78/86/29/396788629.db2.gz JBADCGZMIBILNK-WOPDTQHZSA-N 1 3 307.360 0.967 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000315838330 396791233 /nfs/dbraw/zinc/79/12/33/396791233.db2.gz VQUQWIVSHHVJNG-CYBMUJFWSA-N 1 3 311.426 0.459 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CNCC2([NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000564843994 396880640 /nfs/dbraw/zinc/88/06/40/396880640.db2.gz HATXIDMXCISFKF-BZUAXINKSA-N 1 3 313.486 0.921 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332903625 396901277 /nfs/dbraw/zinc/90/12/77/396901277.db2.gz QFVQYNWVEXSUAU-KBPBESRZSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332903625 396901282 /nfs/dbraw/zinc/90/12/82/396901282.db2.gz QFVQYNWVEXSUAU-KBPBESRZSA-N 1 3 310.442 0.369 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000376181267 396890354 /nfs/dbraw/zinc/89/03/54/396890354.db2.gz LDZGIZSGUWQHHK-INIZCTEOSA-N 1 3 311.470 0.630 20 0 DCADHO C[N@H+]1CCC[C@H]1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000376181267 396890363 /nfs/dbraw/zinc/89/03/63/396890363.db2.gz LDZGIZSGUWQHHK-INIZCTEOSA-N 1 3 311.470 0.630 20 0 DCADHO CN1CCC[C@H]1CC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000376181267 396890368 /nfs/dbraw/zinc/89/03/68/396890368.db2.gz LDZGIZSGUWQHHK-INIZCTEOSA-N 1 3 311.470 0.630 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)C2)nn1 ZINC000634771440 396913609 /nfs/dbraw/zinc/91/36/09/396913609.db2.gz VHNQAQXOVYHFLV-BJJXKVORSA-N 1 3 318.425 0.290 20 0 DCADHO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000332985461 396912413 /nfs/dbraw/zinc/91/24/13/396912413.db2.gz WALDTNHWLONMKS-RDJZCZTQSA-N 1 3 309.454 0.870 20 0 DCADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(=O)[n-]cn1 ZINC000625541239 396917532 /nfs/dbraw/zinc/91/75/32/396917532.db2.gz WULKFMOEAHJTBW-UHFFFAOYSA-N 1 3 309.414 0.528 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC000600817698 396950973 /nfs/dbraw/zinc/95/09/73/396950973.db2.gz RNKQANSSEBNNBF-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC000600817698 396950976 /nfs/dbraw/zinc/95/09/76/396950976.db2.gz RNKQANSSEBNNBF-INIZCTEOSA-N 1 3 308.470 0.709 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000339572045 396960198 /nfs/dbraw/zinc/96/01/98/396960198.db2.gz AJCJFIKSWFTODP-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339574618 396960261 /nfs/dbraw/zinc/96/02/61/396960261.db2.gz AJMBRIOTJVQUQI-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339574618 396960264 /nfs/dbraw/zinc/96/02/64/396960264.db2.gz AJMBRIOTJVQUQI-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)[C@@H](C[NH3+])C1 ZINC000571745724 396982852 /nfs/dbraw/zinc/98/28/52/396982852.db2.gz ADTXPIXJRRMCJE-CABCVRRESA-N 1 3 309.458 0.288 20 0 DCADHO C[C@H](CN1CCOCC1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343725664 397000193 /nfs/dbraw/zinc/00/01/93/397000193.db2.gz FCHRVEWKRUQMDZ-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H](CN1CCOCC1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343725664 397000199 /nfs/dbraw/zinc/00/01/99/397000199.db2.gz FCHRVEWKRUQMDZ-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@H](CN1CCOCC1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343725664 397000202 /nfs/dbraw/zinc/00/02/02/397000202.db2.gz FCHRVEWKRUQMDZ-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000572122187 397023659 /nfs/dbraw/zinc/02/36/59/397023659.db2.gz ZBFHEPQHFDZGHB-INIZCTEOSA-N 1 3 316.449 0.868 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000571695146 396979158 /nfs/dbraw/zinc/97/91/58/396979158.db2.gz ZZZGBXSMSMXKBX-HIFRSBDPSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000630714844 397087842 /nfs/dbraw/zinc/08/78/42/397087842.db2.gz BBDHRYNONHLTPZ-SYQHCUMBSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000630714844 397087845 /nfs/dbraw/zinc/08/78/45/397087845.db2.gz BBDHRYNONHLTPZ-SYQHCUMBSA-N 1 3 312.458 0.145 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000618987036 397052748 /nfs/dbraw/zinc/05/27/48/397052748.db2.gz LZIAHNFKYYIIHV-JKSUJKDBSA-N 1 3 308.470 0.613 20 0 DCADHO Cc1ncc2n1CC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000573171484 397140911 /nfs/dbraw/zinc/14/09/11/397140911.db2.gz LQZXDCNJGSDWKA-OAHLLOKOSA-N 1 3 321.469 0.706 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N[C@]2(C)CC[NH2+]C2)ccn1 ZINC000612896416 397157763 /nfs/dbraw/zinc/15/77/63/397157763.db2.gz RIZUFMULVFJLDQ-MRXNPFEDSA-N 1 3 321.425 0.573 20 0 DCADHO C[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000612974082 397168207 /nfs/dbraw/zinc/16/82/07/397168207.db2.gz OMEOPTMOAHNJJN-LSDHHAIUSA-N 1 3 323.485 0.311 20 0 DCADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493016 397193200 /nfs/dbraw/zinc/19/32/00/397193200.db2.gz LYQYKLQRBVEEBE-IHRRRGAJSA-N 1 3 310.442 0.932 20 0 DCADHO CN(C)C[C@H]1CCCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592559345 397214602 /nfs/dbraw/zinc/21/46/02/397214602.db2.gz NVCPDJQUQQFPQH-CHWSQXEVSA-N 1 3 305.426 0.885 20 0 DCADHO C[C@H](NCCN1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000574138956 397238906 /nfs/dbraw/zinc/23/89/06/397238906.db2.gz JSBWWDFUMKELOZ-JKSUJKDBSA-N 1 3 318.469 0.576 20 0 DCADHO CN(Cc1ccccc1N(C)C1CCN(C)CC1)C[C@@H](O)C[NH3+] ZINC000415068653 397368483 /nfs/dbraw/zinc/36/84/83/397368483.db2.gz NHWJSCYWGHCBQE-KRWDZBQOSA-N 1 3 320.481 0.968 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419768657 397381943 /nfs/dbraw/zinc/38/19/43/397381943.db2.gz CYEIUNNANSNPOK-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC[NH+](C)CC1 ZINC000365872251 397328008 /nfs/dbraw/zinc/32/80/08/397328008.db2.gz UUHCQIOITBVUBW-CQSZACIVSA-N 1 3 324.469 0.975 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000577382229 397328552 /nfs/dbraw/zinc/32/85/52/397328552.db2.gz HALZBNDZOMBGQK-HNNXBMFYSA-N 1 3 322.453 0.413 20 0 DCADHO C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)CN1CCN(C)CC1 ZINC000369175550 397434106 /nfs/dbraw/zinc/43/41/06/397434106.db2.gz WQOXSQPZYXSXDN-BFYDXBDKSA-N 1 3 308.470 0.376 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000471641099 397449927 /nfs/dbraw/zinc/44/99/27/397449927.db2.gz CFKOJBZAGKTYGC-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(=O)NCCN1CCCCC1 ZINC000578865078 397494064 /nfs/dbraw/zinc/49/40/64/397494064.db2.gz DBOLJEXIBPKGNL-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO CCOC(=O)[C@](C)(O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845948 397500963 /nfs/dbraw/zinc/50/09/63/397500963.db2.gz NQGNKBWFWMIZEE-MRXNPFEDSA-N 1 3 307.394 0.908 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000579107866 397523147 /nfs/dbraw/zinc/52/31/47/397523147.db2.gz IHZSJMJNXFOGRE-AWEZNQCLSA-N 1 3 322.453 0.174 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000126056211 158261639 /nfs/dbraw/zinc/26/16/39/158261639.db2.gz VUDIHBKGXZKCNL-AWEZNQCLSA-N 1 3 300.447 0.321 20 0 DCADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CSCN2)CC1 ZINC000165972089 158366128 /nfs/dbraw/zinc/36/61/28/158366128.db2.gz PTJWNENOCVOBEM-ZDUSSCGKSA-N 1 3 300.472 0.039 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341025418 159221688 /nfs/dbraw/zinc/22/16/88/159221688.db2.gz WSNDMGHGJIDSRE-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341025418 159221690 /nfs/dbraw/zinc/22/16/90/159221690.db2.gz WSNDMGHGJIDSRE-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000366993687 159303949 /nfs/dbraw/zinc/30/39/49/159303949.db2.gz MLRHEQHBZAHPPB-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO CNC(=O)[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192738507 287059724 /nfs/dbraw/zinc/05/97/24/287059724.db2.gz FIVNMPQYPJFCJB-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192738507 287059729 /nfs/dbraw/zinc/05/97/29/287059729.db2.gz FIVNMPQYPJFCJB-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000192741281 287059767 /nfs/dbraw/zinc/05/97/67/287059767.db2.gz BMUITZLQEOICTR-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000192741281 287059769 /nfs/dbraw/zinc/05/97/69/287059769.db2.gz BMUITZLQEOICTR-KRWDZBQOSA-N 1 3 313.486 0.876 20 0 DCADHO CCOC[C@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000341027104 287151133 /nfs/dbraw/zinc/15/11/33/287151133.db2.gz TZZCBZUYTYTKML-QGZVFWFLSA-N 1 3 313.486 0.874 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000332194756 287218156 /nfs/dbraw/zinc/21/81/56/287218156.db2.gz BSKVSYKNBRKPHF-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418378237 287246575 /nfs/dbraw/zinc/24/65/75/287246575.db2.gz AGXFUPKVYIRDCT-ZIAGYGMSSA-N 1 3 300.447 0.362 20 0 DCADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418393929 287247615 /nfs/dbraw/zinc/24/76/15/287247615.db2.gz FRSOCACETIRYOR-OAHLLOKOSA-N 1 3 305.426 0.892 20 0 DCADHO COCCNCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418510854 287248851 /nfs/dbraw/zinc/24/88/51/287248851.db2.gz QRBHYNGBFRWRSA-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO COCCNCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418510854 287248852 /nfs/dbraw/zinc/24/88/52/287248852.db2.gz QRBHYNGBFRWRSA-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@]1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCC[NH2+]C1 ZINC000418536091 287249882 /nfs/dbraw/zinc/24/98/82/287249882.db2.gz IGJIZSCAJDKRTQ-GDBMZVCRSA-N 1 3 312.458 0.522 20 0 DCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H](CN)C2CC2)([NH+](C)C)C1 ZINC000418912329 287252623 /nfs/dbraw/zinc/25/26/23/287252623.db2.gz DVGWGEARVADZDL-MRRJBJDNSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000418991966 287259089 /nfs/dbraw/zinc/25/90/89/287259089.db2.gz FIXNWHZAPRJNSM-CQSZACIVSA-N 1 3 320.437 0.478 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418992352 287259124 /nfs/dbraw/zinc/25/91/24/287259124.db2.gz ZPGKFCOGUFNSTO-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418992352 287259125 /nfs/dbraw/zinc/25/91/25/287259125.db2.gz ZPGKFCOGUFNSTO-KBPBESRZSA-N 1 3 312.458 0.468 20 0 DCADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419227773 287276054 /nfs/dbraw/zinc/27/60/54/287276054.db2.gz KXUOGPCBGZXCEC-HUUCEWRRSA-N 1 3 322.453 0.174 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419226483 287275580 /nfs/dbraw/zinc/27/55/80/287275580.db2.gz JADZPJKCPCNITB-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335034 287291175 /nfs/dbraw/zinc/29/11/75/287291175.db2.gz HDDDQHABQBWION-UGUYLWEFSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)N(C(=O)[C@@H](C)N1CC[C@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000420348139 287293920 /nfs/dbraw/zinc/29/39/20/287293920.db2.gz JTWOPPTWRLOTJV-CVEARBPZSA-N 1 3 310.486 1.000 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1N(C)C ZINC000331608080 415149384 /nfs/dbraw/zinc/14/93/84/415149384.db2.gz DNTNWWHRCVGCOW-TUVASFSCSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1N(C)C ZINC000331608080 415149393 /nfs/dbraw/zinc/14/93/93/415149393.db2.gz DNTNWWHRCVGCOW-TUVASFSCSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1=CC[N@H+](C)CC1 ZINC000332113348 415251309 /nfs/dbraw/zinc/25/13/09/415251309.db2.gz WPIVGHCSANHEIO-DZGCQCFKSA-N 1 3 320.437 0.060 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000332113348 415251315 /nfs/dbraw/zinc/25/13/15/415251315.db2.gz WPIVGHCSANHEIO-DZGCQCFKSA-N 1 3 320.437 0.060 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000342712905 415264919 /nfs/dbraw/zinc/26/49/19/415264919.db2.gz AZPQLEBTOUGNPY-KGLIPLIRSA-N 1 3 313.442 0.894 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422914276 287303899 /nfs/dbraw/zinc/30/38/99/287303899.db2.gz SOPLLRQWMBRCDB-HRCADAONSA-N 1 3 324.469 0.027 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000332272667 415325262 /nfs/dbraw/zinc/32/52/62/415325262.db2.gz GTYABTPVIRAPFP-CQSZACIVSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000332335489 415349569 /nfs/dbraw/zinc/34/95/69/415349569.db2.gz RQJYSSRGSIXPBJ-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073291078 415419462 /nfs/dbraw/zinc/41/94/62/415419462.db2.gz CQEDVOYFWHZKIN-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073291078 415419469 /nfs/dbraw/zinc/41/94/69/415419469.db2.gz CQEDVOYFWHZKIN-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000343295160 415540130 /nfs/dbraw/zinc/54/01/30/415540130.db2.gz CEHRYCNHEYQQAM-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000343295160 415540136 /nfs/dbraw/zinc/54/01/36/415540136.db2.gz CEHRYCNHEYQQAM-ZDUSSCGKSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(CC)CC1 ZINC000353458285 415551140 /nfs/dbraw/zinc/55/11/40/415551140.db2.gz JDJWFWAPSZATFX-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000353475494 415558469 /nfs/dbraw/zinc/55/84/69/415558469.db2.gz XTSAGZGILHZHRB-CQSZACIVSA-N 1 3 301.431 0.310 20 0 DCADHO CC(=O)N1CCC(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000103211100 415614158 /nfs/dbraw/zinc/61/41/58/415614158.db2.gz QZDNUVFEFCHJDQ-UHFFFAOYSA-N 1 3 312.458 0.197 20 0 DCADHO C[C@H](Cn1cccn1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000353673986 415621710 /nfs/dbraw/zinc/62/17/10/415621710.db2.gz QONNSPOPLSVLIN-OAHLLOKOSA-N 1 3 307.442 0.853 20 0 DCADHO NC(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(F)(F)F ZINC000353532532 415580396 /nfs/dbraw/zinc/58/03/96/415580396.db2.gz VIQJTNDEHXYUTP-JTQLQIEISA-N 1 3 309.332 0.637 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343383598 415580786 /nfs/dbraw/zinc/58/07/86/415580786.db2.gz MZZVVMWGTNGYAY-HOTGVXAUSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343383598 415580791 /nfs/dbraw/zinc/58/07/91/415580791.db2.gz MZZVVMWGTNGYAY-HOTGVXAUSA-N 1 3 308.470 0.613 20 0 DCADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCOC2(CNC2)C1 ZINC000333736233 415728339 /nfs/dbraw/zinc/72/83/39/415728339.db2.gz WXPAQPVRMFXAEK-LSDHHAIUSA-N 1 3 316.405 0.126 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000353433893 287317776 /nfs/dbraw/zinc/31/77/76/287317776.db2.gz VGUKFUABKXPURO-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337548196 415975995 /nfs/dbraw/zinc/97/59/95/415975995.db2.gz OBHUUBQLOUCWJZ-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337548196 415975996 /nfs/dbraw/zinc/97/59/96/415975996.db2.gz OBHUUBQLOUCWJZ-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000344821990 415994285 /nfs/dbraw/zinc/99/42/85/415994285.db2.gz KVFDOEAAIIZXEM-UHFFFAOYSA-N 1 3 322.409 0.243 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)N1CCN(C)CC1 ZINC000132480979 415934196 /nfs/dbraw/zinc/93/41/96/415934196.db2.gz RAFSVYOUYRXNTO-CVEARBPZSA-N 1 3 312.502 0.961 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000357248885 416052999 /nfs/dbraw/zinc/05/29/99/416052999.db2.gz WGZBKKMLLGIOMD-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000357248885 416053003 /nfs/dbraw/zinc/05/30/03/416053003.db2.gz WGZBKKMLLGIOMD-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO COC[C@@]1(CNC(=O)[C@H](CN)c2ccc(F)cc2)CCC[NH2+]1 ZINC000357288084 416056720 /nfs/dbraw/zinc/05/67/20/416056720.db2.gz NPPXKQXWXLPXDR-ZBFHGGJFSA-N 1 3 309.385 0.753 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000338201776 416057303 /nfs/dbraw/zinc/05/73/03/416057303.db2.gz AXTYCLZXJDVXTF-KBPBESRZSA-N 1 3 314.474 0.584 20 0 DCADHO CS[C@@H]1CN(CCC(=O)N2CCN(C)CC2)C[C@H]1[NH+](C)C ZINC000338275432 416070074 /nfs/dbraw/zinc/07/00/74/416070074.db2.gz IQICQEZKFBKCSW-ZIAGYGMSSA-N 1 3 314.499 0.128 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000338320863 416078871 /nfs/dbraw/zinc/07/88/71/416078871.db2.gz URFPFHFAZNVVBS-KRWDZBQOSA-N 1 3 322.497 0.814 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000338320863 416078876 /nfs/dbraw/zinc/07/88/76/416078876.db2.gz URFPFHFAZNVVBS-KRWDZBQOSA-N 1 3 322.497 0.814 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000357930621 416155265 /nfs/dbraw/zinc/15/52/65/416155265.db2.gz OQGAGVOVHBZBPQ-BVUBDWEXSA-N 1 3 303.406 0.661 20 0 DCADHO OC[C@@]1(F)CCN(CCCCC[N@@H+]2CC[C@](F)(CO)C2)C1 ZINC000338584926 416111210 /nfs/dbraw/zinc/11/12/10/416111210.db2.gz IRTFQNXOKIRPQQ-HUUCEWRRSA-N 1 3 306.397 0.969 20 0 DCADHO OC[C@@]1(F)CCN(CCCCC[N@H+]2CC[C@](F)(CO)C2)C1 ZINC000338584926 416111212 /nfs/dbraw/zinc/11/12/12/416111212.db2.gz IRTFQNXOKIRPQQ-HUUCEWRRSA-N 1 3 306.397 0.969 20 0 DCADHO CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000178885804 416175336 /nfs/dbraw/zinc/17/53/36/416175336.db2.gz SLMRAPSEBFMPAE-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CC(C)N1CCO[C@@H](CN2CCN(CC3CC[NH2+]CC3)CC2)C1 ZINC000178983046 416180099 /nfs/dbraw/zinc/18/00/99/416180099.db2.gz NSMAAFMGHSHLIP-SFHVURJKSA-N 1 3 324.513 0.713 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428598 416157955 /nfs/dbraw/zinc/15/79/55/416157955.db2.gz PTYFFHHHDDSDCC-MRXNPFEDSA-N 1 3 311.426 0.426 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428598 416157957 /nfs/dbraw/zinc/15/79/57/416157957.db2.gz PTYFFHHHDDSDCC-MRXNPFEDSA-N 1 3 311.426 0.426 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342054861 416273570 /nfs/dbraw/zinc/27/35/70/416273570.db2.gz ANBZDGRIGVPYCT-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342054861 416273574 /nfs/dbraw/zinc/27/35/74/416273574.db2.gz ANBZDGRIGVPYCT-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO COCCN1CCC(NC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000358862982 416286490 /nfs/dbraw/zinc/28/64/90/416286490.db2.gz IPRHYMUZCYUZCL-UHFFFAOYSA-N 1 3 313.442 0.230 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262364592 416336747 /nfs/dbraw/zinc/33/67/47/416336747.db2.gz KTXQMOCOGQRSEX-LBPRGKRZSA-N 1 3 306.410 0.189 20 0 DCADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH3+])ccc1CN(C)C ZINC000415511024 416345771 /nfs/dbraw/zinc/34/57/71/416345771.db2.gz MGDVBFJJMNCGSH-LLVKDONJSA-N 1 3 306.410 0.706 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415815488 416355080 /nfs/dbraw/zinc/35/50/80/416355080.db2.gz SDVSWULARAWBMJ-UHFFFAOYSA-N 1 3 318.421 0.677 20 0 DCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CCN)cc1 ZINC000415879322 416357027 /nfs/dbraw/zinc/35/70/27/416357027.db2.gz PAVVVHYMDLVJMK-UHFFFAOYSA-N 1 3 306.410 0.884 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237497207 416328379 /nfs/dbraw/zinc/32/83/79/416328379.db2.gz LQVYYAGRVNXXJL-ZDUSSCGKSA-N 1 3 320.441 0.807 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419892928 416414530 /nfs/dbraw/zinc/41/45/30/416414530.db2.gz PCXLCZMMAXQPDS-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000419891684 416414797 /nfs/dbraw/zinc/41/47/97/416414797.db2.gz IYVIAQRGRYPIDG-RBSFLKMASA-N 1 3 322.453 0.459 20 0 DCADHO COC[C@@]1(CNC(=O)N[C@H]2CNCCC2(F)F)CCC[NH2+]1 ZINC000418630259 416387846 /nfs/dbraw/zinc/38/78/46/416387846.db2.gz FHCBMBQBKXZCID-JQWIXIFHSA-N 1 3 306.357 0.051 20 0 DCADHO COC[C@]1(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CCC[NH2+]1 ZINC000418656040 416388469 /nfs/dbraw/zinc/38/84/69/416388469.db2.gz OQJCWNQOJAABFS-IIAWOOMASA-N 1 3 312.458 0.737 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419290462 416398528 /nfs/dbraw/zinc/39/85/28/416398528.db2.gz VRRPZOJFJPOJNR-AWEZNQCLSA-N 1 3 312.458 0.422 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000419381298 416400508 /nfs/dbraw/zinc/40/05/08/416400508.db2.gz YFGRCMIJRDLNPK-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H]1CN ZINC000419690078 416405412 /nfs/dbraw/zinc/40/54/12/416405412.db2.gz BISDLWLTOOTZBN-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)[C@H]1CN ZINC000419690078 416405413 /nfs/dbraw/zinc/40/54/13/416405413.db2.gz BISDLWLTOOTZBN-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419720461 416405800 /nfs/dbraw/zinc/40/58/00/416405800.db2.gz FHEBCOQLSKAEDC-ZDUSSCGKSA-N 1 3 300.447 0.276 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419736734 416407852 /nfs/dbraw/zinc/40/78/52/416407852.db2.gz RXVKENNWJWHPGA-IHRRRGAJSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419756358 416408991 /nfs/dbraw/zinc/40/89/91/416408991.db2.gz AUJZGJTYDCRADI-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000423057248 416462125 /nfs/dbraw/zinc/46/21/25/416462125.db2.gz YXXPERCXBMLYSF-QWHCGFSZSA-N 1 3 308.426 0.958 20 0 DCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000423057248 416462129 /nfs/dbraw/zinc/46/21/29/416462129.db2.gz YXXPERCXBMLYSF-QWHCGFSZSA-N 1 3 308.426 0.958 20 0 DCADHO COC(=O)c1cn(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)nn1 ZINC000423108868 416467548 /nfs/dbraw/zinc/46/75/48/416467548.db2.gz RPNPZKBUYGIJOB-CHWSQXEVSA-N 1 3 309.414 0.965 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000458448735 416471858 /nfs/dbraw/zinc/47/18/58/416471858.db2.gz YEBNNFYGMDXMQC-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000458448735 416471862 /nfs/dbraw/zinc/47/18/62/416471862.db2.gz YEBNNFYGMDXMQC-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423159890 416473452 /nfs/dbraw/zinc/47/34/52/416473452.db2.gz YRDFBZQCSXSREQ-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000423208773 416477634 /nfs/dbraw/zinc/47/76/34/416477634.db2.gz DUIWTNYZOHMLSI-ZDUSSCGKSA-N 1 3 308.426 0.023 20 0 DCADHO COC[C@@]1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[NH2+]C1 ZINC000423307453 416488315 /nfs/dbraw/zinc/48/83/15/416488315.db2.gz NEPIIRLEDFFYIW-FUHWJXTLSA-N 1 3 319.449 0.902 20 0 DCADHO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C1=CCN(C)CC1 ZINC000458638875 416488442 /nfs/dbraw/zinc/48/84/42/416488442.db2.gz UDKPNRFWWNVCDX-ZBFHGGJFSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)C1=CCN(C)CC1 ZINC000458638875 416488448 /nfs/dbraw/zinc/48/84/48/416488448.db2.gz UDKPNRFWWNVCDX-ZBFHGGJFSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NC(C)(C)CC[NH3+])CCCO1 ZINC000422619907 416442357 /nfs/dbraw/zinc/44/23/57/416442357.db2.gz OBKHQABDBKFVGP-CYBMUJFWSA-N 1 3 300.447 0.914 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423621023 416529601 /nfs/dbraw/zinc/52/96/01/416529601.db2.gz KOWQLSXNVXURPT-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423621023 416529606 /nfs/dbraw/zinc/52/96/06/416529606.db2.gz KOWQLSXNVXURPT-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H]1NC(=O)N(CCN2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000459378748 416540290 /nfs/dbraw/zinc/54/02/90/416540290.db2.gz WSQHWPXXOSGBGT-CYBMUJFWSA-N 1 3 310.442 0.981 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000460077209 416549920 /nfs/dbraw/zinc/54/99/20/416549920.db2.gz FFDXBJZODYPSPO-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1CO ZINC000362076797 416557116 /nfs/dbraw/zinc/55/71/16/416557116.db2.gz LWXNYBUQPHQFHW-OIISXLGYSA-N 1 3 319.449 0.966 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N1CCC[C@H](C)C1 ZINC000423333553 416494169 /nfs/dbraw/zinc/49/41/69/416494169.db2.gz QAZZOPNKPJQBEE-KBPBESRZSA-N 1 3 322.457 0.867 20 0 DCADHO C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCCC[C@H]1C ZINC000423334078 416494328 /nfs/dbraw/zinc/49/43/28/416494328.db2.gz QJZAAUXTLFJCQR-OLZOCXBDSA-N 1 3 308.430 0.620 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000423363656 416497147 /nfs/dbraw/zinc/49/71/47/416497147.db2.gz ASBCGCZDCYSGQL-UHFFFAOYSA-N 1 3 310.442 0.128 20 0 DCADHO COc1cc(CNC(=O)C2(C)C[NH2+]C2)ccc1OCCN(C)C ZINC000423348431 416497505 /nfs/dbraw/zinc/49/75/05/416497505.db2.gz TWDRPLOAYCWLQZ-UHFFFAOYSA-N 1 3 321.421 0.861 20 0 DCADHO CO[C@H](CN)C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000584233248 416509839 /nfs/dbraw/zinc/50/98/39/416509839.db2.gz QJWAGMHPRUQKKY-NEPJUHHUSA-N 1 3 324.450 0.588 20 0 DCADHO CC1(C(=O)NCCCN2CCN(c3ccncc3)CC2)C[NH2+]C1 ZINC000423435728 416511439 /nfs/dbraw/zinc/51/14/39/416511439.db2.gz RLBPPIALYQOVFS-UHFFFAOYSA-N 1 3 317.437 0.319 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000438706639 416602378 /nfs/dbraw/zinc/60/23/78/416602378.db2.gz UQUKHBPZLWHPGC-UHFFFAOYSA-N 1 3 322.457 1.442 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000542246753 416621316 /nfs/dbraw/zinc/62/13/16/416621316.db2.gz VCYAZIKRUPSDFY-NUEKZKHPSA-N 1 3 309.454 0.678 20 0 DCADHO NC1(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)CCOCC1 ZINC000424204327 416625170 /nfs/dbraw/zinc/62/51/70/416625170.db2.gz VLXVJJAUEYDXOZ-LSDHHAIUSA-N 1 3 321.396 0.977 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000424230659 416630263 /nfs/dbraw/zinc/63/02/63/416630263.db2.gz BFSUDNYRZFJDIW-CQSZACIVSA-N 1 3 318.421 0.802 20 0 DCADHO CC[NH+](CC)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424446745 416646756 /nfs/dbraw/zinc/64/67/56/416646756.db2.gz JNCSXJLLSJXYOM-UONOGXRCSA-N 1 3 308.430 0.198 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2(N(C)C)CCC2)c1 ZINC000424471727 416652702 /nfs/dbraw/zinc/65/27/02/416652702.db2.gz SWICSIPNXTVHNK-UHFFFAOYSA-N 1 3 318.421 0.993 20 0 DCADHO CN1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000368818721 416695455 /nfs/dbraw/zinc/69/54/55/416695455.db2.gz VJEXHFFGEQRURB-UHFFFAOYSA-N 1 3 323.485 0.502 20 0 DCADHO O=C(NC[C@@]1(O)CN2CCC1CC2)C1CC[NH+](C2CC2)CC1 ZINC000556852877 416717517 /nfs/dbraw/zinc/71/75/17/416717517.db2.gz SVEMQCIAWCNGQD-QGZVFWFLSA-N 1 3 307.438 0.434 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000516179997 416718253 /nfs/dbraw/zinc/71/82/53/416718253.db2.gz QTZAVERINBCGSZ-GDBMZVCRSA-N 1 3 317.437 0.158 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443063123 416729803 /nfs/dbraw/zinc/72/98/03/416729803.db2.gz VZKACUSNTJBMQB-HIFRSBDPSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369400213 416767331 /nfs/dbraw/zinc/76/73/31/416767331.db2.gz GNAOCGLQEOHNKG-HRCADAONSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369400213 416767338 /nfs/dbraw/zinc/76/73/38/416767338.db2.gz GNAOCGLQEOHNKG-HRCADAONSA-N 1 3 324.469 0.833 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H]2CN(S(=O)(=O)CCCN3CCCC3)C[C@@H]21 ZINC000631930839 416809864 /nfs/dbraw/zinc/80/98/64/416809864.db2.gz ALBIRRNCSVDEAY-QLFBSQMISA-N 1 3 315.483 0.861 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000631938347 416818567 /nfs/dbraw/zinc/81/85/67/416818567.db2.gz BCYKRKZQNRKYPE-ZDUSSCGKSA-N 1 3 301.456 0.534 20 0 DCADHO CCOC[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000518759991 416871427 /nfs/dbraw/zinc/87/14/27/416871427.db2.gz HNLJLOQNZPUNAV-IAGOWNOFSA-N 1 3 308.422 0.740 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000632026498 416874238 /nfs/dbraw/zinc/87/42/38/416874238.db2.gz HKTZAJCLCCLSFV-UHFFFAOYSA-N 1 3 321.487 0.311 20 0 DCADHO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632047686 416884156 /nfs/dbraw/zinc/88/41/56/416884156.db2.gz PNBRSSWLHZURHX-CQSZACIVSA-N 1 3 305.488 0.932 20 0 DCADHO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632047686 416884161 /nfs/dbraw/zinc/88/41/61/416884161.db2.gz PNBRSSWLHZURHX-CQSZACIVSA-N 1 3 305.488 0.932 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000631949684 416826748 /nfs/dbraw/zinc/82/67/48/416826748.db2.gz MJPNQYWQCNQHGY-HNNXBMFYSA-N 1 3 317.499 0.980 20 0 DCADHO Nc1nc(N)nc(NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000623853904 416907807 /nfs/dbraw/zinc/90/78/07/416907807.db2.gz LCYMODAMXLGYCY-UHFFFAOYSA-N 1 3 313.409 0.238 20 0 DCADHO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623976287 416931352 /nfs/dbraw/zinc/93/13/52/416931352.db2.gz DXPFKOPLBYZXOZ-NSHDSACASA-N 1 3 313.409 0.756 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC000446603428 416937503 /nfs/dbraw/zinc/93/75/03/416937503.db2.gz DYJJMWUZOCSAKA-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)[C@H](CC)N(C)C)CC1)[NH+](C)C ZINC000446603428 416937508 /nfs/dbraw/zinc/93/75/08/416937508.db2.gz DYJJMWUZOCSAKA-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)N(CC)CC ZINC000428982272 416940673 /nfs/dbraw/zinc/94/06/73/416940673.db2.gz ZNWOYJCGKGKMNC-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C)Cc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000521872028 417031773 /nfs/dbraw/zinc/03/17/73/417031773.db2.gz RTXLLHISUIQUCH-UHFFFAOYSA-N 1 3 304.438 0.773 20 0 DCADHO CC(C)[C@H](C[NH2+]C[C@H](O)CN(C)C1CC1)N1CCN(C)CC1 ZINC000520797327 416975612 /nfs/dbraw/zinc/97/56/12/416975612.db2.gz DDVKEXKFJAAJIR-IRXDYDNUSA-N 1 3 312.502 0.303 20 0 DCADHO CC(C)[C@H](CNC[C@H](O)C[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000520797327 416975618 /nfs/dbraw/zinc/97/56/18/416975618.db2.gz DDVKEXKFJAAJIR-IRXDYDNUSA-N 1 3 312.502 0.303 20 0 DCADHO CC(C)[C@H](CNC[C@H](O)C[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000520797327 416975625 /nfs/dbraw/zinc/97/56/25/416975625.db2.gz DDVKEXKFJAAJIR-IRXDYDNUSA-N 1 3 312.502 0.303 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000565526014 416986655 /nfs/dbraw/zinc/98/66/55/416986655.db2.gz MNZXJRORKSFWQZ-KRWDZBQOSA-N 1 3 324.469 0.341 20 0 DCADHO CN(C)C1(CNS(=O)(=O)CCC[NH+]2CCCC2)CCC1 ZINC000632258570 416986713 /nfs/dbraw/zinc/98/67/13/416986713.db2.gz OASNEEFLUAUZTE-UHFFFAOYSA-N 1 3 303.472 0.876 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4C[C@@]4(O)C3)CC2)CC1 ZINC000641784151 416998027 /nfs/dbraw/zinc/99/80/27/416998027.db2.gz WTEAWWWXJFCNFU-CXAGYDPISA-N 1 3 322.453 0.321 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641825401 417008773 /nfs/dbraw/zinc/00/87/73/417008773.db2.gz UGMRSJQRUAUINH-CQSZACIVSA-N 1 3 312.458 0.517 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785652 417096266 /nfs/dbraw/zinc/09/62/66/417096266.db2.gz AYUVOXMZURBMIE-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390735790 417099716 /nfs/dbraw/zinc/09/97/16/417099716.db2.gz IBTURCBRUJSYMQ-QGZVFWFLSA-N 1 3 316.449 0.672 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642329800 417043407 /nfs/dbraw/zinc/04/34/07/417043407.db2.gz TVBPYFUHFIJHDI-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000642439323 417051468 /nfs/dbraw/zinc/05/14/68/417051468.db2.gz BREXWYQNQQXPSJ-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])N1CCC(C)CC1 ZINC000642722815 417081530 /nfs/dbraw/zinc/08/15/30/417081530.db2.gz IJVAHTGRYUBNOC-ZIAGYGMSSA-N 1 3 312.458 0.323 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000637374343 417082749 /nfs/dbraw/zinc/08/27/49/417082749.db2.gz WLHCEUPERRSICM-DOTOQJQBSA-N 1 3 324.469 0.759 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000637374343 417082754 /nfs/dbraw/zinc/08/27/54/417082754.db2.gz WLHCEUPERRSICM-DOTOQJQBSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642733303 417084445 /nfs/dbraw/zinc/08/44/45/417084445.db2.gz DDFNSBDQQRLFRL-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC[C@H]1[NH3+] ZINC000642773267 417094008 /nfs/dbraw/zinc/09/40/08/417094008.db2.gz GIPQFLWYIQMHPV-YRGRVCCFSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000430629690 287348502 /nfs/dbraw/zinc/34/85/02/287348502.db2.gz QNUMYKZKFOLCSA-CZUORRHYSA-N 1 3 308.470 0.931 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000642808226 417107275 /nfs/dbraw/zinc/10/72/75/417107275.db2.gz PGSHPRWXIUUZTN-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642909675 417120058 /nfs/dbraw/zinc/12/00/58/417120058.db2.gz RWUXREUXSUIVRO-ZDUSSCGKSA-N 1 3 300.447 0.276 20 0 DCADHO C[C@H]([NH2+]C1CC1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000449114322 417120681 /nfs/dbraw/zinc/12/06/81/417120681.db2.gz IMINEKZFCIKYNL-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642913652 417120614 /nfs/dbraw/zinc/12/06/14/417120614.db2.gz OZWCAPCGEZVKDR-HNNXBMFYSA-N 1 3 318.421 0.055 20 0 DCADHO Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)nnn1C1CC[NH2+]CC1 ZINC000430726274 287351170 /nfs/dbraw/zinc/35/11/70/287351170.db2.gz ZSSRWKYOSKTYHY-CQSZACIVSA-N 1 3 318.425 0.431 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000642921166 417125798 /nfs/dbraw/zinc/12/57/98/417125798.db2.gz ABZGETCBUGKKMC-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000642953519 417131483 /nfs/dbraw/zinc/13/14/83/417131483.db2.gz SBRMQGDTBUAYJY-HIFRSBDPSA-N 1 3 318.421 0.183 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642989311 417141136 /nfs/dbraw/zinc/14/11/36/417141136.db2.gz NUZRVPDGLIQZBV-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449342426 417141474 /nfs/dbraw/zinc/14/14/74/417141474.db2.gz BKUJLHDRIPACOB-UONOGXRCSA-N 1 3 320.441 0.634 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000449622776 417157258 /nfs/dbraw/zinc/15/72/58/417157258.db2.gz FTDLSFUUVQXHGS-CQSZACIVSA-N 1 3 318.421 0.755 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CCOCC[NH3+] ZINC000626947585 417183463 /nfs/dbraw/zinc/18/34/63/417183463.db2.gz VFDMQWCSCMPFDE-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@@H](CNC(=O)N(C)CCOCC[NH3+])N1CCC(C)CC1 ZINC000626953521 417186735 /nfs/dbraw/zinc/18/67/35/417186735.db2.gz UXFPUHYPAZHIQH-AWEZNQCLSA-N 1 3 300.447 0.724 20 0 DCADHO CN(C)CCn1cc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cn1 ZINC000637806761 417187737 /nfs/dbraw/zinc/18/77/37/417187737.db2.gz OFLJGMLDDOZFOS-UHFFFAOYSA-N 1 3 305.426 0.801 20 0 DCADHO O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000637805554 417190770 /nfs/dbraw/zinc/19/07/70/417190770.db2.gz JBEUXTKVLGEWFS-CVEARBPZSA-N 1 3 318.421 0.541 20 0 DCADHO CCN(CC[NH3+])C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000627005960 417203767 /nfs/dbraw/zinc/20/37/67/417203767.db2.gz AMTRHRWBGBVWIG-UHFFFAOYSA-N 1 3 309.414 0.512 20 0 DCADHO C[C@@H](CCNC(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCCCC1 ZINC000569093716 417212075 /nfs/dbraw/zinc/21/20/75/417212075.db2.gz MCZURKIFJRVUGB-GJZGRUSLSA-N 1 3 311.474 0.535 20 0 DCADHO CCN1CCN(CCCCNC(=O)NCCC[NH+](C)C)CC1 ZINC000643216733 417164689 /nfs/dbraw/zinc/16/46/89/417164689.db2.gz XBQOSHSRWVJFQE-UHFFFAOYSA-N 1 3 313.490 0.655 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCCC[C@H]2CCC[NH2+]2)CC1=O ZINC000449685213 417164778 /nfs/dbraw/zinc/16/47/78/417164778.db2.gz UEHCJHSYTYYBHO-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CN1C1CC1 ZINC000433401625 417266759 /nfs/dbraw/zinc/26/67/59/417266759.db2.gz SXFJOEGPGKLORS-DYEKYZERSA-N 1 3 318.425 0.558 20 0 DCADHO CCN1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433413576 417266990 /nfs/dbraw/zinc/26/69/90/417266990.db2.gz LYKBURFLZAGUFV-ZDUSSCGKSA-N 1 3 306.414 0.417 20 0 DCADHO CCN1C[C@@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414182946 417267501 /nfs/dbraw/zinc/26/75/01/417267501.db2.gz DOKAUTVKIMKTRO-IAGOWNOFSA-N 1 3 324.513 0.713 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1 ZINC000414658024 417291825 /nfs/dbraw/zinc/29/18/25/417291825.db2.gz KXEGDMLZOVTBSI-UHFFFAOYSA-N 1 3 306.410 0.801 20 0 DCADHO COC(=O)CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CCCC1 ZINC000414712560 417295203 /nfs/dbraw/zinc/29/52/03/417295203.db2.gz UPICPMYOFWVOPH-CYBMUJFWSA-N 1 3 311.426 0.601 20 0 DCADHO C[C@H]1C[C@H](CN2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]1 ZINC000414674201 417295473 /nfs/dbraw/zinc/29/54/73/417295473.db2.gz KKLOUVHATOODSM-UONOGXRCSA-N 1 3 317.437 0.691 20 0 DCADHO [NH3+]C1(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000627112805 417234123 /nfs/dbraw/zinc/23/41/23/417234123.db2.gz OSSQONLRHSQQFO-KBPBESRZSA-N 1 3 310.442 0.810 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CCCN2CCC([NH3+])CC2)CN1C1CC1 ZINC000433153954 417236080 /nfs/dbraw/zinc/23/60/80/417236080.db2.gz RPPPOAXEQNQQHQ-UKRRQHHQSA-N 1 3 308.470 0.931 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433390057 417262244 /nfs/dbraw/zinc/26/22/44/417262244.db2.gz ZDEGEEPVXTXVBE-KBPBESRZSA-N 1 3 320.441 0.664 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638137852 417349047 /nfs/dbraw/zinc/34/90/47/417349047.db2.gz PIBWAMUQXQIOEE-CYBMUJFWSA-N 1 3 301.394 0.819 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000415297045 417359732 /nfs/dbraw/zinc/35/97/32/417359732.db2.gz UBTRSQBOCBDQAA-CYBMUJFWSA-N 1 3 304.394 0.555 20 0 DCADHO CN1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638167986 417362320 /nfs/dbraw/zinc/36/23/20/417362320.db2.gz AOJAGSBVOXOXBE-MRXNPFEDSA-N 1 3 304.438 0.610 20 0 DCADHO CN1CCCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000638167986 417362326 /nfs/dbraw/zinc/36/23/26/417362326.db2.gz AOJAGSBVOXOXBE-MRXNPFEDSA-N 1 3 304.438 0.610 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000638086896 417317819 /nfs/dbraw/zinc/31/78/19/417317819.db2.gz WYZNROYYGQLKRL-DLBZAZTESA-N 1 3 318.465 0.904 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000638086896 417317823 /nfs/dbraw/zinc/31/78/23/417317823.db2.gz WYZNROYYGQLKRL-DLBZAZTESA-N 1 3 318.465 0.904 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1CNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000570155671 417319513 /nfs/dbraw/zinc/31/95/13/417319513.db2.gz QSWXNAZCGCVSNH-VVLHAWIVSA-N 1 3 313.486 0.921 20 0 DCADHO CCC[N@H+]1CCC[C@H]1CNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000570155671 417319518 /nfs/dbraw/zinc/31/95/18/417319518.db2.gz QSWXNAZCGCVSNH-VVLHAWIVSA-N 1 3 313.486 0.921 20 0 DCADHO CN(CCCO)C1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000638083193 417320747 /nfs/dbraw/zinc/32/07/47/417320747.db2.gz KOKNOCGXFMSYKY-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638248689 417392067 /nfs/dbraw/zinc/39/20/67/417392067.db2.gz UDJHIFKCZALRKT-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638257959 417395470 /nfs/dbraw/zinc/39/54/70/417395470.db2.gz DNZKIFVZFNXQOC-STQMWFEESA-N 1 3 314.380 0.544 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000638276171 417399620 /nfs/dbraw/zinc/39/96/20/417399620.db2.gz RDZAOMSZQYYNIR-DLBZAZTESA-N 1 3 318.465 0.998 20 0 DCADHO CC1=CCN(CCNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000571058746 417419108 /nfs/dbraw/zinc/41/91/08/417419108.db2.gz SYSVHPKLLNQHPN-LBPRGKRZSA-N 1 3 302.369 0.935 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC000638343651 417426879 /nfs/dbraw/zinc/42/68/79/417426879.db2.gz UOHLEYDEFHVHQG-QLFBSQMISA-N 1 3 320.441 0.631 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC000638343651 417426882 /nfs/dbraw/zinc/42/68/82/417426882.db2.gz UOHLEYDEFHVHQG-QLFBSQMISA-N 1 3 320.441 0.631 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000633116188 417369999 /nfs/dbraw/zinc/36/99/99/417369999.db2.gz QBVMYDDLNWQZBO-MCIONIFRSA-N 1 3 308.426 0.021 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622029175 417372792 /nfs/dbraw/zinc/37/27/92/417372792.db2.gz BBULKPUHZUDDDL-GRDNDAEWSA-N 1 3 322.453 0.267 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638201545 417373374 /nfs/dbraw/zinc/37/33/74/417373374.db2.gz MNOPKLCHBCBGQQ-IXDOHACOSA-N 1 3 316.449 0.656 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638202072 417374352 /nfs/dbraw/zinc/37/43/52/417374352.db2.gz ZCEILBOXGGHBET-KGLIPLIRSA-N 1 3 301.431 0.357 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000415372709 417375827 /nfs/dbraw/zinc/37/58/27/417375827.db2.gz HUJXQAQPHBHTMP-HNNXBMFYSA-N 1 3 318.421 0.897 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638218060 417378380 /nfs/dbraw/zinc/37/83/80/417378380.db2.gz BXCFYWFCKGNJGX-OAHLLOKOSA-N 1 3 301.431 0.169 20 0 DCADHO CC(C)CC[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638221808 417379441 /nfs/dbraw/zinc/37/94/41/417379441.db2.gz ZSTGYUMWCSLUDW-RYUDHWBXSA-N 1 3 324.391 0.702 20 0 DCADHO CN1CCC(N2CC[C@H]([NH2+]CC(C)(C)N3CCOCC3)C2)CC1 ZINC000638587843 417496502 /nfs/dbraw/zinc/49/65/02/417496502.db2.gz HSVZNQNUUFXMGT-INIZCTEOSA-N 1 3 324.513 0.855 20 0 DCADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCCN(CCCO)C1 ZINC000529349932 417444458 /nfs/dbraw/zinc/44/44/58/417444458.db2.gz IPMMREUKPRRFRD-KGLIPLIRSA-N 1 3 310.442 0.417 20 0 DCADHO CN1CCC(N2CCC([NH2+][C@H]3CCCNC(=O)C3)CC2)CC1 ZINC000638458166 417464169 /nfs/dbraw/zinc/46/41/69/417464169.db2.gz BAXBLFYTKJXTFM-HNNXBMFYSA-N 1 3 308.470 0.803 20 0 DCADHO COCC1(CNC(=O)[C@@H]2CNCCC2(F)F)CC[NH2+]CC1 ZINC000644127869 417477834 /nfs/dbraw/zinc/47/78/34/417477834.db2.gz JZXZKMMDBRYBNF-NSHDSACASA-N 1 3 305.369 0.364 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCO[C@@H]4C[C@@H]43)CC2)CC1 ZINC000644133550 417478056 /nfs/dbraw/zinc/47/80/56/417478056.db2.gz FXAGYTWGGMXOBP-JKSUJKDBSA-N 1 3 322.453 0.728 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000638524880 417481019 /nfs/dbraw/zinc/48/10/19/417481019.db2.gz UJRFTGCDVHHYPT-CQSZACIVSA-N 1 3 318.421 0.916 20 0 DCADHO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CNC2CC2)cc1 ZINC000638526704 417482101 /nfs/dbraw/zinc/48/21/01/417482101.db2.gz NNAVPQRGPSWSPR-UHFFFAOYSA-N 1 3 304.394 0.669 20 0 DCADHO O=C1CCC[C@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC000634713467 417534237 /nfs/dbraw/zinc/53/42/37/417534237.db2.gz WHCSRFXJCSGACH-AEFFLSMTSA-N 1 3 317.433 0.882 20 0 DCADHO O=C1CCC[C@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)N1 ZINC000634713467 417534243 /nfs/dbraw/zinc/53/42/43/417534243.db2.gz WHCSRFXJCSGACH-AEFFLSMTSA-N 1 3 317.433 0.882 20 0 DCADHO CN(C)Cc1cccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000623066915 417536645 /nfs/dbraw/zinc/53/66/45/417536645.db2.gz SYUMSAJWFSAFNI-OAHLLOKOSA-N 1 3 305.426 0.855 20 0 DCADHO C[C@H]1CN(CCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000530242130 417557967 /nfs/dbraw/zinc/55/79/67/417557967.db2.gz MLUPXVKEXWYRJD-RDJZCZTQSA-N 1 3 311.470 0.798 20 0 DCADHO CC(C)CN(C(=O)c1cn(CC[NH3+])nn1)C1CCN(C)CC1 ZINC000575138950 417516463 /nfs/dbraw/zinc/51/64/63/417516463.db2.gz QXWNSUVXCARCFK-UHFFFAOYSA-N 1 3 308.430 0.429 20 0 DCADHO O[C@@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000634642547 417521530 /nfs/dbraw/zinc/52/15/30/417521530.db2.gz LYHYDLNDLFWXFU-KSZLIROESA-N 1 3 301.434 0.775 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638983441 417596295 /nfs/dbraw/zinc/59/62/95/417596295.db2.gz ACRIBKIKEIOFQR-ZIAGYGMSSA-N 1 3 303.410 0.818 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CCCC(=O)N1 ZINC000644635029 417635618 /nfs/dbraw/zinc/63/56/18/417635618.db2.gz NJAMHUFNDRWCGL-CVEARBPZSA-N 1 3 305.422 0.738 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CCCC(=O)N1 ZINC000644635029 417635623 /nfs/dbraw/zinc/63/56/23/417635623.db2.gz NJAMHUFNDRWCGL-CVEARBPZSA-N 1 3 305.422 0.738 20 0 DCADHO CN(C)[C@H]1CN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@@H]1O ZINC000576838525 417641927 /nfs/dbraw/zinc/64/19/27/417641927.db2.gz WHXTTYKONGSRGP-IRXDYDNUSA-N 1 3 317.433 0.568 20 0 DCADHO CN(C)[C@H]1CN(C(=O)CC[N@H+]2CCc3ccccc3C2)C[C@@H]1O ZINC000576838525 417641931 /nfs/dbraw/zinc/64/19/31/417641931.db2.gz WHXTTYKONGSRGP-IRXDYDNUSA-N 1 3 317.433 0.568 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000457106628 417688403 /nfs/dbraw/zinc/68/84/03/417688403.db2.gz DICMJRSSIMHEJC-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000457106628 417688406 /nfs/dbraw/zinc/68/84/06/417688406.db2.gz DICMJRSSIMHEJC-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC000635376919 417645374 /nfs/dbraw/zinc/64/53/74/417645374.db2.gz MCCUPEGBBALYSK-JKSUJKDBSA-N 1 3 307.438 0.840 20 0 DCADHO CC[C@H]1CN(CC)CCN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000456386233 417646928 /nfs/dbraw/zinc/64/69/28/417646928.db2.gz RICAEWWZNGMIEF-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)CN1CCN(C)CC1 ZINC000635562088 417703401 /nfs/dbraw/zinc/70/34/01/417703401.db2.gz VWRLFFZBNKWCHQ-MRXNPFEDSA-N 1 3 322.497 0.862 20 0 DCADHO C[C@@H](CNC(=O)N1CCOC2(CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000645262727 417720744 /nfs/dbraw/zinc/72/07/44/417720744.db2.gz DTHMCJPJZCBWDM-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H](CNC(=O)N1CCOC2(CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000645262727 417720747 /nfs/dbraw/zinc/72/07/47/417720747.db2.gz DTHMCJPJZCBWDM-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000640324895 417823253 /nfs/dbraw/zinc/82/32/53/417823253.db2.gz JEVBJXJVFBPHAR-INIZCTEOSA-N 1 3 305.422 0.935 20 0 DCADHO CO[C@@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)[C@](C)(CO)C1 ZINC000639997586 417775867 /nfs/dbraw/zinc/77/58/67/417775867.db2.gz ARKKLMCBZMLJNF-IRXDYDNUSA-N 1 3 313.486 0.874 20 0 DCADHO CO[C@@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)[C@](C)(CO)C1 ZINC000639997586 417775870 /nfs/dbraw/zinc/77/58/70/417775870.db2.gz ARKKLMCBZMLJNF-IRXDYDNUSA-N 1 3 313.486 0.874 20 0 DCADHO COCC1(C(=O)Nc2cnn(CCN(C)C)c2)CC[NH2+]CC1 ZINC000645803213 417797796 /nfs/dbraw/zinc/79/77/96/417797796.db2.gz GYRRSHZNDOPXMO-UHFFFAOYSA-N 1 3 309.414 0.399 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000646189712 417802224 /nfs/dbraw/zinc/80/22/24/417802224.db2.gz LAZFBDWNCRAVEW-RBSFLKMASA-N 1 3 313.490 0.685 20 0 DCADHO CC[C@H](NC)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000662574257 417810792 /nfs/dbraw/zinc/81/07/92/417810792.db2.gz JQPINYLXTSCCHM-AWEZNQCLSA-N 1 3 320.437 0.907 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000646221362 417813402 /nfs/dbraw/zinc/81/34/02/417813402.db2.gz FKSCCPIUZFGVJT-GDBMZVCRSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000646221362 417813409 /nfs/dbraw/zinc/81/34/09/417813409.db2.gz FKSCCPIUZFGVJT-GDBMZVCRSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662595222 417816002 /nfs/dbraw/zinc/81/60/02/417816002.db2.gz YRYPWBPTBWSCOB-CVEARBPZSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)CCN1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652125363 417849993 /nfs/dbraw/zinc/84/99/93/417849993.db2.gz PKBYZARWHQVSIK-UHFFFAOYSA-N 1 3 311.474 0.441 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@H]1C[NH3+] ZINC000652165841 417854956 /nfs/dbraw/zinc/85/49/56/417854956.db2.gz CBQJEWRPLNPKRD-KYEXWDHISA-N 1 3 310.442 0.617 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662703201 417859996 /nfs/dbraw/zinc/85/99/96/417859996.db2.gz QDWRAJOLJQUECW-GOEBONIOSA-N 1 3 321.421 0.607 20 0 DCADHO CC[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CO1 ZINC000657490559 417865566 /nfs/dbraw/zinc/86/55/66/417865566.db2.gz NTPGLZWRRWQHQW-HZPDHXFCSA-N 1 3 311.470 0.940 20 0 DCADHO CN1CCC(O)(CNC(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652278423 417876472 /nfs/dbraw/zinc/87/64/72/417876472.db2.gz ONCOOCHUUCYUNQ-UHFFFAOYSA-N 1 3 324.400 0.540 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC[C@H]([NH3+])c2ccccc2)n1 ZINC000662749206 417885493 /nfs/dbraw/zinc/88/54/93/417885493.db2.gz AKUXBYJNCUGUNZ-ZDUSSCGKSA-N 1 3 315.377 0.737 20 0 DCADHO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(C(C)(C)N)no2)CC1 ZINC000662757003 417891048 /nfs/dbraw/zinc/89/10/48/417891048.db2.gz JOPIVXXUTQFISF-GFCCVEGCSA-N 1 3 323.441 0.624 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)C1 ZINC000662757316 417892330 /nfs/dbraw/zinc/89/23/30/417892330.db2.gz LFPATGXGXUEWOT-CABCVRRESA-N 1 3 308.470 0.613 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)C1 ZINC000662757938 417894258 /nfs/dbraw/zinc/89/42/58/417894258.db2.gz MXKNMYSFIGPDNT-HNNXBMFYSA-N 1 3 320.481 0.886 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)C1 ZINC000662757938 417894263 /nfs/dbraw/zinc/89/42/63/417894263.db2.gz MXKNMYSFIGPDNT-HNNXBMFYSA-N 1 3 320.481 0.886 20 0 DCADHO [NH3+]CC[C@@H]([N-]C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(F)(F)F ZINC000662782506 417902227 /nfs/dbraw/zinc/90/22/27/417902227.db2.gz DUIVTVQQWPVDKW-SVRRBLITSA-N 1 3 307.238 0.924 20 0 DCADHO C[C@H](CC(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000646803557 417915947 /nfs/dbraw/zinc/91/59/47/417915947.db2.gz IDXYNVUEJNXGPU-VXGBXAGGSA-N 1 3 321.429 0.179 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860486 417931414 /nfs/dbraw/zinc/93/14/14/417931414.db2.gz SCBWQHCGAZYOFF-CJNGLKHVSA-N 1 3 305.422 0.725 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)CCN1C ZINC000652671594 417941631 /nfs/dbraw/zinc/94/16/31/417941631.db2.gz IKQUPMMLAPPNKN-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652682744 417943798 /nfs/dbraw/zinc/94/37/98/417943798.db2.gz SURYBXISPOGKAO-CYBMUJFWSA-N 1 3 310.442 0.080 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000652687475 417943854 /nfs/dbraw/zinc/94/38/54/417943854.db2.gz CXRWFTYJUIBKAY-HNNXBMFYSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713387 417951956 /nfs/dbraw/zinc/95/19/56/417951956.db2.gz MRGXCVWQICZLTD-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652709283 417952953 /nfs/dbraw/zinc/95/29/53/417952953.db2.gz NYZMCMHQUWUYQQ-ZDUSSCGKSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662939026 417956570 /nfs/dbraw/zinc/95/65/70/417956570.db2.gz RPPBNPVTSCRAJZ-UHFFFAOYSA-N 1 3 320.437 0.023 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723776 417956765 /nfs/dbraw/zinc/95/67/65/417956765.db2.gz LAKFKLZQVUGOFR-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC2CC[NH2+]CC2)CCN1C ZINC000652725172 417957028 /nfs/dbraw/zinc/95/70/28/417957028.db2.gz ZYIURZFQRFCXQJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725398 417957433 /nfs/dbraw/zinc/95/74/33/417957433.db2.gz GPBLFKQNLYDESZ-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000652731778 417959773 /nfs/dbraw/zinc/95/97/73/417959773.db2.gz UQFXGUYNVUGFHN-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641091834 417969038 /nfs/dbraw/zinc/96/90/38/417969038.db2.gz RYCIQHYDEOQUMB-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662983621 417972211 /nfs/dbraw/zinc/97/22/11/417972211.db2.gz KOZWRFOIPBEUEA-ILXRZTDVSA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662983621 417972215 /nfs/dbraw/zinc/97/22/15/417972215.db2.gz KOZWRFOIPBEUEA-ILXRZTDVSA-N 1 3 324.469 0.372 20 0 DCADHO CN(C)[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC000663443815 418020868 /nfs/dbraw/zinc/02/08/68/418020868.db2.gz RNLWDVQQWZCMGG-KBPBESRZSA-N 1 3 312.458 0.567 20 0 DCADHO CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(CC)C1 ZINC000658820091 418026623 /nfs/dbraw/zinc/02/66/23/418026623.db2.gz CAXSHARHFNFEOJ-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[C@H]1CCN(CC)C1 ZINC000658820091 418026624 /nfs/dbraw/zinc/02/66/24/418026624.db2.gz CAXSHARHFNFEOJ-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1nc2c(s1)CNCC2 ZINC000663495586 418027396 /nfs/dbraw/zinc/02/73/96/418027396.db2.gz ZLMPPGPRHOUUNJ-GFCCVEGCSA-N 1 3 318.450 0.669 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653124824 418034298 /nfs/dbraw/zinc/03/42/98/418034298.db2.gz IICAHJORCVLEEA-JKSUJKDBSA-N 1 3 308.470 0.661 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)C[C@H]2N)cn1 ZINC000653166591 418041073 /nfs/dbraw/zinc/04/10/73/418041073.db2.gz OMOACILBPVTEGW-YJNKXOJESA-N 1 3 303.410 0.204 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CCOC2CNC2)C1 ZINC000653259986 418049899 /nfs/dbraw/zinc/04/98/99/418049899.db2.gz BDBJKIVRQWLABK-SNPRPXQTSA-N 1 3 311.426 0.252 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000641180937 417982105 /nfs/dbraw/zinc/98/21/05/417982105.db2.gz ILDQYVWYZBESGP-XHSDSOJGSA-N 1 3 323.485 0.678 20 0 DCADHO O=C(NCCCNCc1cccnc1)NCC12CC(C1)C[NH2+]2 ZINC000659512461 418109201 /nfs/dbraw/zinc/10/92/01/418109201.db2.gz CDWFSUVFMVGFQU-UHFFFAOYSA-N 1 3 303.410 0.613 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659520946 418110738 /nfs/dbraw/zinc/11/07/38/418110738.db2.gz AJROCDZXDIJDJC-ZDUSSCGKSA-N 1 3 315.462 0.021 20 0 DCADHO CC1(OCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CNC1 ZINC000648158187 418110804 /nfs/dbraw/zinc/11/08/04/418110804.db2.gz CUDQUANPQRIWCU-UHFFFAOYSA-N 1 3 318.421 0.793 20 0 DCADHO C[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@H](N)c1ccccc1 ZINC000647769853 418052940 /nfs/dbraw/zinc/05/29/40/418052940.db2.gz MLBCVULKCHRAIY-HOCLYGCPSA-N 1 3 304.438 0.686 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)Nc1cccc2c1CCNC2)[NH+](C)C ZINC000659094676 418058032 /nfs/dbraw/zinc/05/80/32/418058032.db2.gz OVYMZOYWEXLVDE-LBPRGKRZSA-N 1 3 318.421 0.727 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[N@@H+]1C ZINC000653397502 418069108 /nfs/dbraw/zinc/06/91/08/418069108.db2.gz VNZUXFOOXSMFHV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[N@H+]1C ZINC000653397502 418069110 /nfs/dbraw/zinc/06/91/10/418069110.db2.gz VNZUXFOOXSMFHV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N(C)C1CC1 ZINC000663998552 418074032 /nfs/dbraw/zinc/07/40/32/418074032.db2.gz MWNLOGGOHFGEKV-CZUORRHYSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N(C)C1CC1 ZINC000663998552 418074034 /nfs/dbraw/zinc/07/40/34/418074034.db2.gz MWNLOGGOHFGEKV-CZUORRHYSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664031038 418077772 /nfs/dbraw/zinc/07/77/72/418077772.db2.gz AGRFYLLVONKHOP-XGUBFFRZSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664031038 418077773 /nfs/dbraw/zinc/07/77/73/418077773.db2.gz AGRFYLLVONKHOP-XGUBFFRZSA-N 1 3 312.458 0.566 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659556069 418118513 /nfs/dbraw/zinc/11/85/13/418118513.db2.gz VRFDGMKBGFFSQB-CABCVRRESA-N 1 3 310.442 0.396 20 0 DCADHO CN(CCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000664093404 418085584 /nfs/dbraw/zinc/08/55/84/418085584.db2.gz JYYDVAGWUSRURP-OAHLLOKOSA-N 1 3 310.442 0.321 20 0 DCADHO CN(CCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000664093404 418085587 /nfs/dbraw/zinc/08/55/87/418085587.db2.gz JYYDVAGWUSRURP-OAHLLOKOSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@@H](CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[NH+]1CCCCC1 ZINC000647996446 418085730 /nfs/dbraw/zinc/08/57/30/418085730.db2.gz FEJJJBVFOCJGDH-KKUMJFAQSA-N 1 3 312.458 0.567 20 0 DCADHO CCN1CCN(CCCCNC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659435532 418097238 /nfs/dbraw/zinc/09/72/38/418097238.db2.gz KALGJXGUOYYPJI-UHFFFAOYSA-N 1 3 323.485 0.537 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659448893 418098006 /nfs/dbraw/zinc/09/80/06/418098006.db2.gz MBMIAVVICKIZOB-ZIAGYGMSSA-N 1 3 316.421 0.568 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659449381 418099567 /nfs/dbraw/zinc/09/95/67/418099567.db2.gz YKGOCVIYTNQRFP-SNVBAGLBSA-N 1 3 310.402 0.170 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659449381 418099569 /nfs/dbraw/zinc/09/95/69/418099569.db2.gz YKGOCVIYTNQRFP-SNVBAGLBSA-N 1 3 310.402 0.170 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000648105159 418099784 /nfs/dbraw/zinc/09/97/84/418099784.db2.gz ZTUFIDZUFLCNMH-NFAWXSAZSA-N 1 3 310.442 0.077 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)NCC3([NH3+])CCCC3)C2)nn1 ZINC000659574676 418121077 /nfs/dbraw/zinc/12/10/77/418121077.db2.gz DNBFXNAUHSPXOQ-ZDUSSCGKSA-N 1 3 321.429 0.355 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000659758250 418178269 /nfs/dbraw/zinc/17/82/69/418178269.db2.gz ZXOGOSRFYSTJKR-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000659684361 418146274 /nfs/dbraw/zinc/14/62/74/418146274.db2.gz HIWCYHKHJRWNRU-DOMZBBRYSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)[C@H](C[NH3+])C1 ZINC000659694318 418149724 /nfs/dbraw/zinc/14/97/24/418149724.db2.gz NPDYBQQQYDGJAN-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659708633 418155951 /nfs/dbraw/zinc/15/59/51/418155951.db2.gz YXIFWJIDEDVOFR-ZDUSSCGKSA-N 1 3 324.469 0.611 20 0 DCADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000659709722 418156054 /nfs/dbraw/zinc/15/60/54/418156054.db2.gz KYXSEDNPFYTZJT-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659721891 418163010 /nfs/dbraw/zinc/16/30/10/418163010.db2.gz LEHASLYHEXSLDE-JHJVBQTASA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000648831429 418163231 /nfs/dbraw/zinc/16/32/31/418163231.db2.gz YLQNTZKSQCBAEJ-KFWWJZLASA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000648831429 418163234 /nfs/dbraw/zinc/16/32/34/418163234.db2.gz YLQNTZKSQCBAEJ-KFWWJZLASA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000659728676 418166226 /nfs/dbraw/zinc/16/62/26/418166226.db2.gz NHDNJGUQPVCIPZ-CQSZACIVSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000659728714 418166718 /nfs/dbraw/zinc/16/67/18/418166718.db2.gz OJXSJCVJRXVKLO-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734847 418168258 /nfs/dbraw/zinc/16/82/58/418168258.db2.gz PGDOUADAXLMILF-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)C1 ZINC000659736210 418170071 /nfs/dbraw/zinc/17/00/71/418170071.db2.gz LSKMVRJTVUFEHH-KBPBESRZSA-N 1 3 322.453 0.459 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COCC1(C)C ZINC000665052049 418171437 /nfs/dbraw/zinc/17/14/37/418171437.db2.gz ISIBJEOBEICESL-KBPBESRZSA-N 1 3 314.474 0.983 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COCC1(C)C ZINC000665052049 418171440 /nfs/dbraw/zinc/17/14/40/418171440.db2.gz ISIBJEOBEICESL-KBPBESRZSA-N 1 3 314.474 0.983 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000659745063 418174955 /nfs/dbraw/zinc/17/49/55/418174955.db2.gz VIYDHLBFRBRNGX-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659757299 418177011 /nfs/dbraw/zinc/17/70/11/418177011.db2.gz WJNZDGADPLRWPV-LBPRGKRZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)CN1CCN(C)CC1 ZINC000649351259 418246365 /nfs/dbraw/zinc/24/63/65/418246365.db2.gz BUYWZMPYRMUOAF-OLZOCXBDSA-N 1 3 318.412 0.231 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000649373424 418247935 /nfs/dbraw/zinc/24/79/35/418247935.db2.gz YRDYZLWOYPPQBD-HNNXBMFYSA-N 1 3 308.470 0.805 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000649365982 418248236 /nfs/dbraw/zinc/24/82/36/418248236.db2.gz CWQVALRFNMNNRU-DLBZAZTESA-N 1 3 322.497 0.862 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000665213403 418186118 /nfs/dbraw/zinc/18/61/18/418186118.db2.gz TUXZWCFFXXJIMF-MJBXVCDLSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CO[C@H](C)C1 ZINC000665213403 418186120 /nfs/dbraw/zinc/18/61/20/418186120.db2.gz TUXZWCFFXXJIMF-MJBXVCDLSA-N 1 3 300.447 0.735 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000654775546 418187086 /nfs/dbraw/zinc/18/70/86/418187086.db2.gz OTIDFGOWTQGFBL-GJZGRUSLSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000654775546 418187089 /nfs/dbraw/zinc/18/70/89/418187089.db2.gz OTIDFGOWTQGFBL-GJZGRUSLSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665459459 418208698 /nfs/dbraw/zinc/20/86/98/418208698.db2.gz FXISZUMMDSWRDK-UHFFFAOYSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000649234740 418213845 /nfs/dbraw/zinc/21/38/45/418213845.db2.gz OEMXSXXJIBUPHO-CABCVRRESA-N 1 3 324.469 0.829 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000649234740 418213848 /nfs/dbraw/zinc/21/38/48/418213848.db2.gz OEMXSXXJIBUPHO-CABCVRRESA-N 1 3 324.469 0.829 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cnn(C)c1 ZINC000665637389 418229156 /nfs/dbraw/zinc/22/91/56/418229156.db2.gz BJOZQKOFDDYKML-AWEZNQCLSA-N 1 3 324.473 0.834 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cnn(C)c1 ZINC000665637389 418229159 /nfs/dbraw/zinc/22/91/59/418229159.db2.gz BJOZQKOFDDYKML-AWEZNQCLSA-N 1 3 324.473 0.834 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000660803700 418290927 /nfs/dbraw/zinc/29/09/27/418290927.db2.gz OEOFMXIOFJARAF-ZACQAIPSSA-N 1 3 319.449 0.888 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000660803700 418290929 /nfs/dbraw/zinc/29/09/29/418290929.db2.gz OEOFMXIOFJARAF-ZACQAIPSSA-N 1 3 319.449 0.888 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655969565 418309176 /nfs/dbraw/zinc/30/91/76/418309176.db2.gz KXWABBXSKJVURM-KKUMJFAQSA-N 1 3 310.442 0.681 20 0 DCADHO CN1CC[C@H]2CN(C(=O)Nc3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC000650470206 418312614 /nfs/dbraw/zinc/31/26/14/418312614.db2.gz ABCOKYWWMISREW-GXTWGEPZSA-N 1 3 306.414 0.613 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCC1 ZINC000656023775 418319235 /nfs/dbraw/zinc/31/92/35/418319235.db2.gz FEHQAEJNXKJLHX-STQMWFEESA-N 1 3 308.426 0.117 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656029230 418321577 /nfs/dbraw/zinc/32/15/77/418321577.db2.gz WYIWXPIVDSTWFL-KBXIAJHMSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1CN ZINC000656042889 418321855 /nfs/dbraw/zinc/32/18/55/418321855.db2.gz WMWDKBWFVIKOBR-YIYPIFLZSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1CN ZINC000656042887 418321928 /nfs/dbraw/zinc/32/19/28/418321928.db2.gz WMWDKBWFVIKOBR-MQYQWHSLSA-N 1 3 310.442 0.029 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CN2CCN1CCC2 ZINC000655353910 418254798 /nfs/dbraw/zinc/25/47/98/418254798.db2.gz XKHYDNNWPQYYOO-OAGGEKHMSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CN2CCN1CCC2 ZINC000655353910 418254800 /nfs/dbraw/zinc/25/48/00/418254800.db2.gz XKHYDNNWPQYYOO-OAGGEKHMSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CN2CCN1CCC2 ZINC000655353911 418255153 /nfs/dbraw/zinc/25/51/53/418255153.db2.gz XKHYDNNWPQYYOO-OWCLPIDISA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CN2CCN1CCC2 ZINC000655353911 418255155 /nfs/dbraw/zinc/25/51/55/418255155.db2.gz XKHYDNNWPQYYOO-OWCLPIDISA-N 1 3 306.454 0.509 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656087380 418326131 /nfs/dbraw/zinc/32/61/31/418326131.db2.gz TVXJFZGZMKQHCB-GASCZTMLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449394 418263250 /nfs/dbraw/zinc/26/32/50/418263250.db2.gz DHQJLGDFJFTADV-RDJZCZTQSA-N 1 3 308.470 0.520 20 0 DCADHO CC[C@@H]1[C@H](CO)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649809016 418276002 /nfs/dbraw/zinc/27/60/02/418276002.db2.gz BVKWSXGJMSYLIG-XJKSGUPXSA-N 1 3 309.454 0.822 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656283481 418340317 /nfs/dbraw/zinc/34/03/17/418340317.db2.gz BBAQSHQFJSNXAZ-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000656310944 418343735 /nfs/dbraw/zinc/34/37/35/418343735.db2.gz GXFPXIAYXSRMLJ-KFWWJZLASA-N 1 3 322.453 0.043 20 0 DCADHO O=C([C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662248959 418393303 /nfs/dbraw/zinc/39/33/03/418393303.db2.gz MLBNPEJFKRLUEV-CABCVRRESA-N 1 3 323.437 0.078 20 0 DCADHO O=C([C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)N1CCOCC1 ZINC000662248959 418393307 /nfs/dbraw/zinc/39/33/07/418393307.db2.gz MLBNPEJFKRLUEV-CABCVRRESA-N 1 3 323.437 0.078 20 0 DCADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000662261227 418395042 /nfs/dbraw/zinc/39/50/42/418395042.db2.gz GLNLJDKEALUAHT-ZIAGYGMSSA-N 1 3 317.437 0.925 20 0 DCADHO CN(CC(=O)NC1CCN(C2CC2)CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662330073 418401351 /nfs/dbraw/zinc/40/13/51/418401351.db2.gz VCBIQVAKKKTLGL-GFCCVEGCSA-N 1 3 322.375 0.551 20 0 DCADHO C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000354681913 261257553 /nfs/dbraw/zinc/25/75/53/261257553.db2.gz URAWWIRYOCHXRO-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354693363 261260682 /nfs/dbraw/zinc/26/06/82/261260682.db2.gz YJDLLOWZOBTTLJ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354693363 261260685 /nfs/dbraw/zinc/26/06/85/261260685.db2.gz YJDLLOWZOBTTLJ-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000355318070 261330448 /nfs/dbraw/zinc/33/04/48/261330448.db2.gz NDFJOOFTXXFSMF-MJBXVCDLSA-N 1 3 314.474 0.630 20 0 DCADHO COCC[NH+]1CCC(NC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000355418044 261339702 /nfs/dbraw/zinc/33/97/02/261339702.db2.gz LCRAJVHIJSOBNW-CQSZACIVSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000358531388 261680322 /nfs/dbraw/zinc/68/03/22/261680322.db2.gz SINPXLZWKPGCEO-KGLIPLIRSA-N 1 3 300.447 0.329 20 0 DCADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000360782361 261874694 /nfs/dbraw/zinc/87/46/94/261874694.db2.gz CNDMAQJRKBJNKM-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000360782361 261874700 /nfs/dbraw/zinc/87/47/00/261874700.db2.gz CNDMAQJRKBJNKM-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362771363 262071064 /nfs/dbraw/zinc/07/10/64/262071064.db2.gz YDWYMVOJTTUKGY-JKSUJKDBSA-N 1 3 310.486 0.718 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362771363 262071066 /nfs/dbraw/zinc/07/10/66/262071066.db2.gz YDWYMVOJTTUKGY-JKSUJKDBSA-N 1 3 310.486 0.718 20 0 DCADHO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@H](C(C)C)C2)C1 ZINC000362855125 262081024 /nfs/dbraw/zinc/08/10/24/262081024.db2.gz YNLKIRSMUJCVSV-CABCVRRESA-N 1 3 312.458 0.689 20 0 DCADHO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)[C@H](C(C)C)C2)C1 ZINC000362855125 262081025 /nfs/dbraw/zinc/08/10/25/262081025.db2.gz YNLKIRSMUJCVSV-CABCVRRESA-N 1 3 312.458 0.689 20 0 DCADHO CO[C@@H]1CCN(C(=O)NCCN2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000417015075 262243451 /nfs/dbraw/zinc/24/34/51/262243451.db2.gz LYMURTJRUVXCHP-HUUCEWRRSA-N 1 3 312.458 0.866 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000417710368 262257970 /nfs/dbraw/zinc/25/79/70/262257970.db2.gz PJCVBSJHWMKFPG-RBSFLKMASA-N 1 3 312.458 0.771 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCOC2(CNC2)C1 ZINC000417792461 262261708 /nfs/dbraw/zinc/26/17/08/262261708.db2.gz KKJCASDCVYPAEW-OAHLLOKOSA-N 1 3 322.453 0.635 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCOC2(CNC2)C1 ZINC000417792461 262261709 /nfs/dbraw/zinc/26/17/09/262261709.db2.gz KKJCASDCVYPAEW-OAHLLOKOSA-N 1 3 322.453 0.635 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H](C)CN1 ZINC000417833418 262263119 /nfs/dbraw/zinc/26/31/19/262263119.db2.gz RTNVNMDUBWRSGJ-BZPMIXESSA-N 1 3 300.472 0.816 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@@H]2C[NH3+])ccn1 ZINC000417941598 262265683 /nfs/dbraw/zinc/26/56/83/262265683.db2.gz AUGKDYQZYRMDMA-CQSZACIVSA-N 1 3 321.425 0.655 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417988244 262267184 /nfs/dbraw/zinc/26/71/84/262267184.db2.gz ILTJWLMLZHTPRQ-BBRMVZONSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCCN1C ZINC000418005688 262267781 /nfs/dbraw/zinc/26/77/81/262267781.db2.gz PLTDFUYCCSUXGF-KFWWJZLASA-N 1 3 324.469 0.866 20 0 DCADHO COCC1(CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)CC[NH2+]CC1 ZINC000418005639 262267840 /nfs/dbraw/zinc/26/78/40/262267840.db2.gz PFQFPQLCHZTIAC-UONOGXRCSA-N 1 3 312.458 0.785 20 0 DCADHO CN(C)CCOCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418062570 262269039 /nfs/dbraw/zinc/26/90/39/262269039.db2.gz FQTSMHUBTGQCLI-HDJSIYSDSA-N 1 3 300.447 0.629 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000418115636 262270969 /nfs/dbraw/zinc/27/09/69/262270969.db2.gz OUOMSPULCBWRIU-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418678428 262285823 /nfs/dbraw/zinc/28/58/23/262285823.db2.gz CJIPXALFPIASRI-ZMSDIMECSA-N 1 3 320.437 0.354 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000418827162 262291470 /nfs/dbraw/zinc/29/14/70/262291470.db2.gz DEVAHIRSXDUUPD-HNNXBMFYSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000418846773 262292524 /nfs/dbraw/zinc/29/25/24/262292524.db2.gz YWNXWXHEDJJIFJ-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000418870100 262294385 /nfs/dbraw/zinc/29/43/85/262294385.db2.gz SXZLWPRHCMNWPQ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)CCN1C ZINC000418970077 262301068 /nfs/dbraw/zinc/30/10/68/262301068.db2.gz VXUIOCLDEHMHDE-OLZOCXBDSA-N 1 3 310.442 0.363 20 0 DCADHO C[N@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C1CC1 ZINC000419000376 262302576 /nfs/dbraw/zinc/30/25/76/262302576.db2.gz YDMVXWDBAGBBPG-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C1CC1 ZINC000419000376 262302578 /nfs/dbraw/zinc/30/25/78/262302578.db2.gz YDMVXWDBAGBBPG-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000419001895 262303405 /nfs/dbraw/zinc/30/34/05/262303405.db2.gz PMNLWBJJZLVWLZ-CQSZACIVSA-N 1 3 320.437 0.336 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419121517 262310354 /nfs/dbraw/zinc/31/03/54/262310354.db2.gz MLUVOZXZCAGJGD-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000419124961 262310957 /nfs/dbraw/zinc/31/09/57/262310957.db2.gz RYNDIDAANGMDRG-QLFBSQMISA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000419124962 262311038 /nfs/dbraw/zinc/31/10/38/262311038.db2.gz RYNDIDAANGMDRG-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419125729 262311045 /nfs/dbraw/zinc/31/10/45/262311045.db2.gz UQZUTHCZTQPUCN-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419125826 262311110 /nfs/dbraw/zinc/31/11/10/262311110.db2.gz USYUHHUNHMVOOP-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419165531 262315698 /nfs/dbraw/zinc/31/56/98/262315698.db2.gz GNMFICDYMKOFHH-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000419165531 262315699 /nfs/dbraw/zinc/31/56/99/262315699.db2.gz GNMFICDYMKOFHH-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419167557 262315831 /nfs/dbraw/zinc/31/58/31/262315831.db2.gz IYKUFICJHQYPKY-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000419167944 262316113 /nfs/dbraw/zinc/31/61/13/262316113.db2.gz JXGHHAVRAWULLE-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]CC ZINC000419175455 262317197 /nfs/dbraw/zinc/31/71/97/262317197.db2.gz XPXMIAWJTRTTKI-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419174384 262317212 /nfs/dbraw/zinc/31/72/12/262317212.db2.gz VNCRYBFVSHDHBL-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419230103 262321379 /nfs/dbraw/zinc/32/13/79/262321379.db2.gz PLXYBZXWKFUSJR-LSDHHAIUSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232827 262322125 /nfs/dbraw/zinc/32/21/25/262322125.db2.gz VIZWYUJEZBCAFJ-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419282363 262324122 /nfs/dbraw/zinc/32/41/22/262324122.db2.gz IHOHVFMUIXLQCO-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000419405124 262330341 /nfs/dbraw/zinc/33/03/41/262330341.db2.gz HGJHJEJDZFVCID-ZDUSSCGKSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000419404301 262330625 /nfs/dbraw/zinc/33/06/25/262330625.db2.gz FSGSWTZQWIMYQD-CJNGLKHVSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419406349 262330669 /nfs/dbraw/zinc/33/06/69/262330669.db2.gz IPIOAPULDPVRHJ-KFWWJZLASA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419429395 262333078 /nfs/dbraw/zinc/33/30/78/262333078.db2.gz UQFNTNLMPJCZKU-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000419486112 262334362 /nfs/dbraw/zinc/33/43/62/262334362.db2.gz XBTFCYDPHZKADB-OAHLLOKOSA-N 1 3 324.469 0.468 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419501790 262336048 /nfs/dbraw/zinc/33/60/48/262336048.db2.gz BXGKUWVLNJZBDU-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000419593761 262339417 /nfs/dbraw/zinc/33/94/17/262339417.db2.gz UCSYYDSVIWSSHF-VXGBXAGGSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000419593759 262339640 /nfs/dbraw/zinc/33/96/40/262339640.db2.gz UCSYYDSVIWSSHF-NWDGAFQWSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419643036 262343920 /nfs/dbraw/zinc/34/39/20/262343920.db2.gz MVOCQNTXGCUCCY-HNNXBMFYSA-N 1 3 320.437 0.464 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419691562 262345870 /nfs/dbraw/zinc/34/58/70/262345870.db2.gz FAAKXQJZTDQOEB-OCCSQVGLSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419698258 262346815 /nfs/dbraw/zinc/34/68/15/262346815.db2.gz PJVOTXVVOMWXSC-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000419840637 262348429 /nfs/dbraw/zinc/34/84/29/262348429.db2.gz DNECUFXVCSBUAP-UHFFFAOYSA-N 1 3 324.425 0.204 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419855521 262349947 /nfs/dbraw/zinc/34/99/47/262349947.db2.gz WRLMZJRKZLEYSJ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419927334 262353422 /nfs/dbraw/zinc/35/34/22/262353422.db2.gz CIDPVXWVQGGLOL-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419981079 262355661 /nfs/dbraw/zinc/35/56/61/262355661.db2.gz RQCSIVOLQFFWQW-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420071341 262358988 /nfs/dbraw/zinc/35/89/88/262358988.db2.gz LCJAQRRSJTYBER-CABCVRRESA-N 1 3 324.469 0.561 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420073006 262359417 /nfs/dbraw/zinc/35/94/17/262359417.db2.gz XTACRXZEOJLVAD-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CCNc1nc(NCC[C@H]2CC[NH2+]C2)nc(NC(C)(C)C)n1 ZINC000420199885 262367115 /nfs/dbraw/zinc/36/71/15/262367115.db2.gz WZCYHRGACVXYOL-LLVKDONJSA-N 1 3 307.446 0.769 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000420277718 262368804 /nfs/dbraw/zinc/36/88/04/262368804.db2.gz UKFPQGPLUFUQRR-JKSUJKDBSA-N 1 3 304.438 0.829 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000420277710 262369327 /nfs/dbraw/zinc/36/93/27/262369327.db2.gz UKFPQGPLUFUQRR-CVEARBPZSA-N 1 3 304.438 0.829 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000423165940 262431218 /nfs/dbraw/zinc/43/12/18/262431218.db2.gz BVTMPVSWLCBUJF-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000423379742 262442023 /nfs/dbraw/zinc/44/20/23/262442023.db2.gz NCBCLJPBXHDJDZ-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC001649838401 1173251276 /nfs/dbraw/zinc/25/12/76/1173251276.db2.gz MIYHSDXITQXDNG-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H](CNC(=O)[C@@H](C)[C@H](C)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000358641058 271060214 /nfs/dbraw/zinc/06/02/14/271060214.db2.gz ZJGCKSQOYDAISP-XUXIUFHCSA-N 1 3 314.474 0.391 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000358662347 271065106 /nfs/dbraw/zinc/06/51/06/271065106.db2.gz INMVMSUMINTBTR-MRXNPFEDSA-N 1 3 312.458 0.617 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1CCCCC1 ZINC000418845344 271258655 /nfs/dbraw/zinc/25/86/55/271258655.db2.gz VARSHAMSKHOIRH-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419032850 271269227 /nfs/dbraw/zinc/26/92/27/271269227.db2.gz XKTDTQQLPYLFQU-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419430865 271289942 /nfs/dbraw/zinc/28/99/42/271289942.db2.gz WKMIMSCNKUFXCG-MGPQQGTHSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](CN)C1CC1)C(C)C ZINC000419670984 271320976 /nfs/dbraw/zinc/32/09/76/271320976.db2.gz XVXXKZIMMWPQBR-CQSZACIVSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)C[NH+]1CCCC1 ZINC000419815212 271327531 /nfs/dbraw/zinc/32/75/31/271327531.db2.gz HPYVOOIVQYUQKO-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO [NH3+]CCNC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000419833414 271332153 /nfs/dbraw/zinc/33/21/53/271332153.db2.gz LMIUDUIWGVLYEX-UHFFFAOYSA-N 1 3 310.442 0.176 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419886282 271337663 /nfs/dbraw/zinc/33/76/63/271337663.db2.gz CAPALVXGINSFFQ-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419887532 271338188 /nfs/dbraw/zinc/33/81/88/271338188.db2.gz QODCCZDMHOVSAX-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419947385 271348264 /nfs/dbraw/zinc/34/82/64/271348264.db2.gz CKEMHVUSCGNSPP-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419947385 271348266 /nfs/dbraw/zinc/34/82/66/271348266.db2.gz CKEMHVUSCGNSPP-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420150933 271360313 /nfs/dbraw/zinc/36/03/13/271360313.db2.gz ATBBOAPSCRPCCM-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000422826129 271386371 /nfs/dbraw/zinc/38/63/71/271386371.db2.gz KYKNUXHBVNRFKL-HOTGVXAUSA-N 1 3 318.469 0.576 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000487194573 272040126 /nfs/dbraw/zinc/04/01/26/272040126.db2.gz CGCPXQOKYGOYLJ-CABCVRRESA-N 1 3 310.486 0.716 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000487194573 272040127 /nfs/dbraw/zinc/04/01/27/272040127.db2.gz CGCPXQOKYGOYLJ-CABCVRRESA-N 1 3 310.486 0.716 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCN[C@@H]1CCC[C@@H]1C(=O)NC ZINC000348166243 277243127 /nfs/dbraw/zinc/24/31/27/277243127.db2.gz NXZSZWDWUALNRB-PYHGIMPFSA-N 1 3 324.469 0.385 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@@H]1NCCC[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000348166243 277243130 /nfs/dbraw/zinc/24/31/30/277243130.db2.gz NXZSZWDWUALNRB-PYHGIMPFSA-N 1 3 324.469 0.385 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342767003 277320004 /nfs/dbraw/zinc/32/00/04/277320004.db2.gz ZNXUATOBXDCKPQ-RQJABVFESA-N 1 3 313.442 0.750 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342767003 277320005 /nfs/dbraw/zinc/32/00/05/277320005.db2.gz ZNXUATOBXDCKPQ-RQJABVFESA-N 1 3 313.442 0.750 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000423125666 278217866 /nfs/dbraw/zinc/21/78/66/278217866.db2.gz NULADTNVESJBMJ-YNEHKIRRSA-N 1 3 306.476 0.363 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410474809 279034086 /nfs/dbraw/zinc/03/40/86/279034086.db2.gz YGDGUXIPPACMJX-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000410474809 279034087 /nfs/dbraw/zinc/03/40/87/279034087.db2.gz YGDGUXIPPACMJX-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000371016115 279055963 /nfs/dbraw/zinc/05/59/63/279055963.db2.gz MPVRQVPMCKSDDM-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO CCN(CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000371016115 279055964 /nfs/dbraw/zinc/05/59/64/279055964.db2.gz MPVRQVPMCKSDDM-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO CCN(CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000371016115 279055965 /nfs/dbraw/zinc/05/59/65/279055965.db2.gz MPVRQVPMCKSDDM-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1CC1 ZINC000340219686 279190695 /nfs/dbraw/zinc/19/06/95/279190695.db2.gz YFQGHFCADXWHRF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C1CC1 ZINC000340219686 279190696 /nfs/dbraw/zinc/19/06/96/279190696.db2.gz YFQGHFCADXWHRF-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366280701 280086814 /nfs/dbraw/zinc/08/68/14/280086814.db2.gz LUSMNXXSLPQGRD-BMFZPTHFSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)[C@H](CNC(=O)N[C@H](C)C[NH+](C)C)N1CCN(C)CC1 ZINC000350258999 280247850 /nfs/dbraw/zinc/24/78/50/280247850.db2.gz XSDSKVNMLWSLRC-CABCVRRESA-N 1 3 313.490 0.508 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000263246558 280273655 /nfs/dbraw/zinc/27/36/55/280273655.db2.gz NBEGPYDWNMICMT-ZBFHGGJFSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561526923 288546450 /nfs/dbraw/zinc/54/64/50/288546450.db2.gz CJTUMLURHNDJTE-LGESCRJUSA-N 1 3 308.426 0.970 20 0 DCADHO CN(C[C@H](O)CN1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000351722146 289323259 /nfs/dbraw/zinc/32/32/59/289323259.db2.gz WHCZNMOXJJKKOQ-TWMKSMIVSA-N 1 3 311.470 0.625 20 0 DCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)C2)CC1 ZINC000420065750 289894522 /nfs/dbraw/zinc/89/45/22/289894522.db2.gz QCCAFAWNBCUPMD-LSDHHAIUSA-N 1 3 322.453 0.030 20 0 DCADHO CN1CCC[C@]2(CCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)C2)C1 ZINC000333703048 290001659 /nfs/dbraw/zinc/00/16/59/290001659.db2.gz RCSJDKAPDDFABU-HOCLYGCPSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCN1C ZINC000339650965 297268565 /nfs/dbraw/zinc/26/85/65/297268565.db2.gz KGWYHVVWVJUJCE-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO NC[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000343694970 303413955 /nfs/dbraw/zinc/41/39/55/303413955.db2.gz WFXGYOAJLFRZPZ-HOTGVXAUSA-N 1 3 320.412 0.374 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]CCC(F)(F)F ZINC001677138504 1175535364 /nfs/dbraw/zinc/53/53/64/1175535364.db2.gz RRTVAGNMUYBPEK-NSHDSACASA-N 1 3 313.364 0.688 20 0 DCADHO CC(C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)S(C)(=O)=O ZINC000577512785 332283774 /nfs/dbraw/zinc/28/37/74/332283774.db2.gz WHCYGWJJYJGCFY-PWSUYJOCSA-N 1 3 302.440 0.656 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000582660063 337117104 /nfs/dbraw/zinc/11/71/04/337117104.db2.gz SNFGILNDUUAQBV-QGZVFWFLSA-N 1 3 324.469 0.517 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000582758682 337135589 /nfs/dbraw/zinc/13/55/89/337135589.db2.gz DIAKISDONAVCCX-ZBFHGGJFSA-N 1 3 312.458 0.330 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000582758682 337135590 /nfs/dbraw/zinc/13/55/90/337135590.db2.gz DIAKISDONAVCCX-ZBFHGGJFSA-N 1 3 312.458 0.330 20 0 DCADHO C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000577232264 341899261 /nfs/dbraw/zinc/89/92/61/341899261.db2.gz YXYRVSSXJARXTR-ZGKBOVNRSA-N 1 3 316.405 0.093 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])C3CCC3)C2)CC1 ZINC000577369413 341906184 /nfs/dbraw/zinc/90/61/84/341906184.db2.gz AGJKDXDURBMIKA-JKSUJKDBSA-N 1 3 308.470 0.741 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000237173514 521785733 /nfs/dbraw/zinc/78/57/33/521785733.db2.gz KWEHYWFFDQCONK-OAHLLOKOSA-N 1 3 318.421 0.346 20 0 DCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262520886 525001171 /nfs/dbraw/zinc/00/11/71/525001171.db2.gz ILERKXDARMRUPB-CHWSQXEVSA-N 1 3 320.437 0.578 20 0 DCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000192126580 525014398 /nfs/dbraw/zinc/01/43/98/525014398.db2.gz MUEXZIFHGZXSEP-UONOGXRCSA-N 1 3 307.442 0.789 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000332009491 529007173 /nfs/dbraw/zinc/00/71/73/529007173.db2.gz PANWAEATUNBWMG-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)C1CC[NH+](C)CC1 ZINC000090018405 545717185 /nfs/dbraw/zinc/71/71/85/545717185.db2.gz RKGLSUSBLATYSA-IUODEOHRSA-N 1 3 305.426 0.845 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237018213 545953097 /nfs/dbraw/zinc/95/30/97/545953097.db2.gz QYYNDCYNCYICTN-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000342983199 546126093 /nfs/dbraw/zinc/12/60/93/546126093.db2.gz AGFORLSJAFHJMQ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCSC1 ZINC000417813320 546245285 /nfs/dbraw/zinc/24/52/85/546245285.db2.gz GGMVOMYITABZQS-OBJOEFQTSA-N 1 3 300.472 0.993 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529289976 546286152 /nfs/dbraw/zinc/28/61/52/546286152.db2.gz QKSSFUUCMPPKFW-HNNXBMFYSA-N 1 3 323.485 0.596 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000665761880 546396691 /nfs/dbraw/zinc/39/66/91/546396691.db2.gz SQINWIHRCWLGBV-BFHYXJOUSA-N 1 3 314.474 0.717 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000665761880 546396695 /nfs/dbraw/zinc/39/66/95/546396695.db2.gz SQINWIHRCWLGBV-BFHYXJOUSA-N 1 3 314.474 0.717 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666627543 546490873 /nfs/dbraw/zinc/49/08/73/546490873.db2.gz ALTRIBRGRPRTIT-ZDUSSCGKSA-N 1 3 318.421 0.932 20 0 DCADHO COc1nccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000666794363 546512856 /nfs/dbraw/zinc/51/28/56/546512856.db2.gz MBDDTQIPICGGHC-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO COc1nccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000666794363 546512859 /nfs/dbraw/zinc/51/28/59/546512859.db2.gz MBDDTQIPICGGHC-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000667156056 546563030 /nfs/dbraw/zinc/56/30/30/546563030.db2.gz NKQUVYXESBZPBE-CYBMUJFWSA-N 1 3 308.430 0.954 20 0 DCADHO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nnn1C ZINC000667256573 546578635 /nfs/dbraw/zinc/57/86/35/546578635.db2.gz OXAPKANWIDTOTI-NSHDSACASA-N 1 3 311.434 0.517 20 0 DCADHO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nnn1C ZINC000667256573 546578639 /nfs/dbraw/zinc/57/86/39/546578639.db2.gz OXAPKANWIDTOTI-NSHDSACASA-N 1 3 311.434 0.517 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000668549376 546782203 /nfs/dbraw/zinc/78/22/03/546782203.db2.gz XJOSAMXUSVPYFD-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000668549376 546782205 /nfs/dbraw/zinc/78/22/05/546782205.db2.gz XJOSAMXUSVPYFD-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000668794850 546847353 /nfs/dbraw/zinc/84/73/53/546847353.db2.gz SFMFUGRHQHSAAG-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000668794850 546847355 /nfs/dbraw/zinc/84/73/55/546847355.db2.gz SFMFUGRHQHSAAG-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(NCC1C[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000669389630 546965439 /nfs/dbraw/zinc/96/54/39/546965439.db2.gz MANBUUGQJITWDZ-UHFFFAOYSA-N 1 3 312.483 0.867 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCNC(C)(C)C3)C2)CC1 ZINC000669484148 546976381 /nfs/dbraw/zinc/97/63/81/546976381.db2.gz FEXQYMHYQPLDNF-AWEZNQCLSA-N 1 3 323.485 0.548 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCNC(C)(C)C3)C2)CC1 ZINC000669484148 546976383 /nfs/dbraw/zinc/97/63/83/546976383.db2.gz FEXQYMHYQPLDNF-AWEZNQCLSA-N 1 3 323.485 0.548 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1 ZINC000669484179 546977019 /nfs/dbraw/zinc/97/70/19/546977019.db2.gz GYSMDXHVOLZQNL-KGLIPLIRSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCN1 ZINC000669484179 546977023 /nfs/dbraw/zinc/97/70/23/546977023.db2.gz GYSMDXHVOLZQNL-KGLIPLIRSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)CN1CCN(C)CC1 ZINC000669499773 546980515 /nfs/dbraw/zinc/98/05/15/546980515.db2.gz NVCVARNQNXSKLV-GJZGRUSLSA-N 1 3 311.474 0.311 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000669692734 547007078 /nfs/dbraw/zinc/00/70/78/547007078.db2.gz KODMXVBLOVBMMU-MRXNPFEDSA-N 1 3 306.458 0.941 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000669692734 547007080 /nfs/dbraw/zinc/00/70/80/547007080.db2.gz KODMXVBLOVBMMU-MRXNPFEDSA-N 1 3 306.458 0.941 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000670630227 547117893 /nfs/dbraw/zinc/11/78/93/547117893.db2.gz GVSCRMNQJUSVIU-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)C1CC[NH+](C)CC1 ZINC000671419163 547207278 /nfs/dbraw/zinc/20/72/78/547207278.db2.gz JZIUSVOWVIRSTJ-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)N(C)C1CC1)C1CC[NH+](C)CC1 ZINC000672014546 547312843 /nfs/dbraw/zinc/31/28/43/547312843.db2.gz VNBSYZOVUANTDD-QWHCGFSZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)C1CC[NH+](C)CC1 ZINC000672015302 547313703 /nfs/dbraw/zinc/31/37/03/547313703.db2.gz UFWAZXSSKJIHNM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000675120640 547663435 /nfs/dbraw/zinc/66/34/35/547663435.db2.gz KTRDILGHEXAHFY-CZUORRHYSA-N 1 3 324.469 0.879 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000675120640 547663436 /nfs/dbraw/zinc/66/34/36/547663436.db2.gz KTRDILGHEXAHFY-CZUORRHYSA-N 1 3 324.469 0.879 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCOCCN(C)C ZINC000682614748 548410191 /nfs/dbraw/zinc/41/01/91/548410191.db2.gz TZGCBESVXVMOGX-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCOCCN(C)C)C1 ZINC000682614784 548410756 /nfs/dbraw/zinc/41/07/56/548410756.db2.gz UZHRFXWYRPYSGT-AWEZNQCLSA-N 1 3 300.447 0.737 20 0 DCADHO CN1CCN(C2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000892090611 658177386 /nfs/dbraw/zinc/17/73/86/658177386.db2.gz WTVSUAPLBVOQLX-GJZGRUSLSA-N 1 3 323.485 0.678 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(F)CCOCC1 ZINC000869236812 667640319 /nfs/dbraw/zinc/64/03/19/667640319.db2.gz KANRAMKBDKXCQA-ZDUSSCGKSA-N 1 3 303.422 0.893 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(F)CCOCC1 ZINC000869236812 667640321 /nfs/dbraw/zinc/64/03/21/667640321.db2.gz KANRAMKBDKXCQA-ZDUSSCGKSA-N 1 3 303.422 0.893 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000977768791 660430856 /nfs/dbraw/zinc/43/08/56/660430856.db2.gz GRZPCQNNEPGEDW-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977768791 660430857 /nfs/dbraw/zinc/43/08/57/660430857.db2.gz GRZPCQNNEPGEDW-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC000979413796 660738537 /nfs/dbraw/zinc/73/85/37/660738537.db2.gz XBMTXRASOGZLNJ-SWLSCSKDSA-N 1 3 306.410 0.958 20 0 DCADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCCN(CCN3CCOCC3)C2)C12CCC2 ZINC000925769651 660889440 /nfs/dbraw/zinc/88/94/40/660889440.db2.gz QEQDKCYNHHJJBH-GVDBMIGSSA-N 1 3 322.497 0.643 20 0 DCADHO C[N@H+](CCn1cccn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406489 660933112 /nfs/dbraw/zinc/93/31/12/660933112.db2.gz PMEFLCQJEYSQAO-OAHLLOKOSA-N 1 3 305.426 0.512 20 0 DCADHO C[N@@H+](CCn1cccn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406489 660933113 /nfs/dbraw/zinc/93/31/13/660933113.db2.gz PMEFLCQJEYSQAO-OAHLLOKOSA-N 1 3 305.426 0.512 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2cnn(C)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980703819 660987290 /nfs/dbraw/zinc/98/72/90/660987290.db2.gz JIFBKWLTPAESGQ-STQMWFEESA-N 1 3 316.409 0.713 20 0 DCADHO COCCN1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000920756407 665281261 /nfs/dbraw/zinc/28/12/61/665281261.db2.gz DGGTZKVSTYOVCW-UHFFFAOYSA-N 1 3 302.488 0.513 20 0 DCADHO CCN1CCO[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000925821891 661227428 /nfs/dbraw/zinc/22/74/28/661227428.db2.gz PBNWEFPDXGUTPZ-HMQMGEFJSA-N 1 3 311.470 0.939 20 0 DCADHO CCN1CCO[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925821891 661227430 /nfs/dbraw/zinc/22/74/30/661227430.db2.gz PBNWEFPDXGUTPZ-HMQMGEFJSA-N 1 3 311.470 0.939 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012365 661272260 /nfs/dbraw/zinc/27/22/60/661272260.db2.gz VMBCXODNSMBOPC-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012365 661272261 /nfs/dbraw/zinc/27/22/61/661272261.db2.gz VMBCXODNSMBOPC-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(N)ccn1 ZINC000891537120 657464313 /nfs/dbraw/zinc/46/43/13/657464313.db2.gz JAFJHNQHPJUVFW-AWEZNQCLSA-N 1 3 307.398 0.574 20 0 DCADHO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(N)ccn1 ZINC000891537120 657464318 /nfs/dbraw/zinc/46/43/18/657464318.db2.gz JAFJHNQHPJUVFW-AWEZNQCLSA-N 1 3 307.398 0.574 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000891577411 657494046 /nfs/dbraw/zinc/49/40/46/657494046.db2.gz RUBTWNYEEDQANE-AWEZNQCLSA-N 1 3 310.442 0.635 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000891580395 657498716 /nfs/dbraw/zinc/49/87/16/657498716.db2.gz XLBPTYGZPLZSJI-CABCVRRESA-N 1 3 311.474 0.583 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000970479285 657556908 /nfs/dbraw/zinc/55/69/08/657556908.db2.gz SSVZMGRMOYRYFW-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970479285 657556912 /nfs/dbraw/zinc/55/69/12/657556912.db2.gz SSVZMGRMOYRYFW-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001010727468 657748044 /nfs/dbraw/zinc/74/80/44/657748044.db2.gz MUPWACPWFCLCIA-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001010727468 657748049 /nfs/dbraw/zinc/74/80/49/657748049.db2.gz MUPWACPWFCLCIA-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC000970716390 657821324 /nfs/dbraw/zinc/82/13/24/657821324.db2.gz CXYHWWQPTMXUFI-LSDHHAIUSA-N 1 3 322.453 0.189 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541773 657892255 /nfs/dbraw/zinc/89/22/55/657892255.db2.gz OJPXQOPSEBWZSC-HDJSIYSDSA-N 1 3 320.441 0.377 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001041757380 657973605 /nfs/dbraw/zinc/97/36/05/657973605.db2.gz UIFXQGLIGMTRCJ-QGZVFWFLSA-N 1 3 309.454 0.635 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001041757380 657973613 /nfs/dbraw/zinc/97/36/13/657973613.db2.gz UIFXQGLIGMTRCJ-QGZVFWFLSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(CCc2ccnn2C)C1 ZINC000970875893 658008032 /nfs/dbraw/zinc/00/80/32/658008032.db2.gz SBKHMOXJMGCCHM-ZIAGYGMSSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(CCc2ccnn2C)C1 ZINC000970875893 658008041 /nfs/dbraw/zinc/00/80/41/658008041.db2.gz SBKHMOXJMGCCHM-ZIAGYGMSSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020586471 658162736 /nfs/dbraw/zinc/16/27/36/658162736.db2.gz OUNSQSWFYSLWQE-KKUMJFAQSA-N 1 3 305.426 0.604 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[C@H]1C[NH3+] ZINC000926344992 658167092 /nfs/dbraw/zinc/16/70/92/658167092.db2.gz BCXIMZVWGZYNFJ-BARDWOONSA-N 1 3 322.453 0.125 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001020591557 658173260 /nfs/dbraw/zinc/17/32/60/658173260.db2.gz RBDQEBWKXKCXHC-IHRRRGAJSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892403947 658269385 /nfs/dbraw/zinc/26/93/85/658269385.db2.gz GMGOBBJFTSASBC-WBVHZDCISA-N 1 3 320.437 0.312 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972732660 658356930 /nfs/dbraw/zinc/35/69/30/658356930.db2.gz LMWKEUAOCRNTQQ-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972732660 658356943 /nfs/dbraw/zinc/35/69/43/658356943.db2.gz LMWKEUAOCRNTQQ-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001022716221 658371853 /nfs/dbraw/zinc/37/18/53/658371853.db2.gz TVXWADBSXTWRQX-MELADBBJSA-N 1 3 305.426 0.499 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001022716866 658375778 /nfs/dbraw/zinc/37/57/78/658375778.db2.gz KPPDLFAMMPUBBS-OKILXGFUSA-N 1 3 320.441 0.247 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)CC[C@H]1C[NH3+] ZINC000926390287 658397077 /nfs/dbraw/zinc/39/70/77/658397077.db2.gz YKBOBVFOXOPGAI-GJZGRUSLSA-N 1 3 324.469 0.374 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC000971200551 658398937 /nfs/dbraw/zinc/39/89/37/658398937.db2.gz HQCIXLQSHKECNM-LSDHHAIUSA-N 1 3 305.426 0.510 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC000971200551 658398950 /nfs/dbraw/zinc/39/89/50/658398950.db2.gz HQCIXLQSHKECNM-LSDHHAIUSA-N 1 3 305.426 0.510 20 0 DCADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CCF)C1 ZINC000999144072 665585262 /nfs/dbraw/zinc/58/52/62/665585262.db2.gz VDBBKMWTJAAGSH-MHCOZEDOSA-N 1 3 311.401 0.398 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001011159851 658552615 /nfs/dbraw/zinc/55/26/15/658552615.db2.gz GTOQVLMGPUFANI-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CCC1 ZINC001011159851 658552617 /nfs/dbraw/zinc/55/26/17/658552617.db2.gz GTOQVLMGPUFANI-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020927243 658586081 /nfs/dbraw/zinc/58/60/81/658586081.db2.gz JRDRNSLPSKGBHM-MGPQQGTHSA-N 1 3 320.441 0.377 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020927243 658586087 /nfs/dbraw/zinc/58/60/87/658586087.db2.gz JRDRNSLPSKGBHM-MGPQQGTHSA-N 1 3 320.441 0.377 20 0 DCADHO CC(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970171344 658689639 /nfs/dbraw/zinc/68/96/39/658689639.db2.gz YTMGWDSTBPLVGE-KDWRMLKXSA-N 1 3 321.465 0.942 20 0 DCADHO CCc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047910 658726139 /nfs/dbraw/zinc/72/61/39/658726139.db2.gz RROUAJDKYOBKDJ-UBHSHLNASA-N 1 3 306.410 0.926 20 0 DCADHO CCc1nocc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047910 658726143 /nfs/dbraw/zinc/72/61/43/658726143.db2.gz RROUAJDKYOBKDJ-UBHSHLNASA-N 1 3 306.410 0.926 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891439644 658760723 /nfs/dbraw/zinc/76/07/23/658760723.db2.gz OSFXBWASQYFAFV-AXFHLTTASA-N 1 3 308.348 0.859 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1)C1CC1 ZINC000999372689 665634909 /nfs/dbraw/zinc/63/49/09/665634909.db2.gz OUJMIRROQLABFM-GDBMZVCRSA-N 1 3 319.453 0.841 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1)C1CC1 ZINC000999372950 665634979 /nfs/dbraw/zinc/63/49/79/665634979.db2.gz PQRQRJNYTJIZPG-HOCLYGCPSA-N 1 3 319.453 0.841 20 0 DCADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027171007 659056747 /nfs/dbraw/zinc/05/67/47/659056747.db2.gz SKABZCFIFQBMCT-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027171007 659056752 /nfs/dbraw/zinc/05/67/52/659056752.db2.gz SKABZCFIFQBMCT-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027170881 659057358 /nfs/dbraw/zinc/05/73/58/659057358.db2.gz PYKWTZBNQBGCCL-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](CNCc3cnns3)C2)C1 ZINC001027170881 659057363 /nfs/dbraw/zinc/05/73/63/659057363.db2.gz PYKWTZBNQBGCCL-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO CCn1ccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001027216122 659087635 /nfs/dbraw/zinc/08/76/35/659087635.db2.gz RLFGCDBUFUZNFF-LSDHHAIUSA-N 1 3 319.453 0.793 20 0 DCADHO CCn1ccc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027216122 659087638 /nfs/dbraw/zinc/08/76/38/659087638.db2.gz RLFGCDBUFUZNFF-LSDHHAIUSA-N 1 3 319.453 0.793 20 0 DCADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217950 659089760 /nfs/dbraw/zinc/08/97/60/659089760.db2.gz UDDWJDAJFGOIDG-CQSZACIVSA-N 1 3 320.441 0.332 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000999408384 665642259 /nfs/dbraw/zinc/64/22/59/665642259.db2.gz JSDASSKSTCLXEQ-IYXRBSQSSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000999408384 665642261 /nfs/dbraw/zinc/64/22/61/665642261.db2.gz JSDASSKSTCLXEQ-IYXRBSQSSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000974148949 659230051 /nfs/dbraw/zinc/23/00/51/659230051.db2.gz BHKPHCPASHROLU-ZQDZILKHSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000974148949 659230053 /nfs/dbraw/zinc/23/00/53/659230053.db2.gz BHKPHCPASHROLU-ZQDZILKHSA-N 1 3 322.453 0.043 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999564175 665656725 /nfs/dbraw/zinc/65/67/25/665656725.db2.gz XNVWVOFXSLNROD-CYBMUJFWSA-N 1 3 324.469 0.705 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999564175 665656726 /nfs/dbraw/zinc/65/67/26/665656726.db2.gz XNVWVOFXSLNROD-CYBMUJFWSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)C[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031856575 665656980 /nfs/dbraw/zinc/65/69/80/665656980.db2.gz CJTNYWKBAYYBPC-GNHJJJEISA-N 1 3 307.438 0.554 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC001027334894 659265735 /nfs/dbraw/zinc/26/57/35/659265735.db2.gz XGXNPMLTBWSAFJ-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC001027334894 659265740 /nfs/dbraw/zinc/26/57/40/659265740.db2.gz XGXNPMLTBWSAFJ-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799100 659565321 /nfs/dbraw/zinc/56/53/21/659565321.db2.gz VXYMUYIEDGIDAN-ARKGTOAJSA-N 1 3 307.438 0.552 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799100 659565322 /nfs/dbraw/zinc/56/53/22/659565322.db2.gz VXYMUYIEDGIDAN-ARKGTOAJSA-N 1 3 307.438 0.552 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1)C1CCC1 ZINC001026889263 659625262 /nfs/dbraw/zinc/62/52/62/659625262.db2.gz VCIUFCSCORCSPZ-LBPRGKRZSA-N 1 3 323.466 0.961 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001026889359 659625288 /nfs/dbraw/zinc/62/52/88/659625288.db2.gz VPNWRKWRCVKLRI-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001026891571 659626377 /nfs/dbraw/zinc/62/63/77/659626377.db2.gz YWQSABVFBZXDHO-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000974943142 659738072 /nfs/dbraw/zinc/73/80/72/659738072.db2.gz DQGDCOQOAWJLNQ-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000974943142 659738076 /nfs/dbraw/zinc/73/80/76/659738076.db2.gz DQGDCOQOAWJLNQ-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001027063111 659758347 /nfs/dbraw/zinc/75/83/47/659758347.db2.gz HRJIIJUQBVVUHE-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]32)C1 ZINC001026043584 659760212 /nfs/dbraw/zinc/76/02/12/659760212.db2.gz PTPXZBCQDSHNJC-IMSKVBIZSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@H]32)C1 ZINC001026043584 659760213 /nfs/dbraw/zinc/76/02/13/659760213.db2.gz PTPXZBCQDSHNJC-IMSKVBIZSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001027064162 659761138 /nfs/dbraw/zinc/76/11/38/659761138.db2.gz YIMWDYVEXHRYSO-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CNCc3nccn3C)C2)C1 ZINC001027065465 659763788 /nfs/dbraw/zinc/76/37/88/659763788.db2.gz YXRYPEKKNBEHCA-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNCc3nccn3C)C2)C1 ZINC001027065465 659763790 /nfs/dbraw/zinc/76/37/90/659763790.db2.gz YXRYPEKKNBEHCA-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001027091039 659797350 /nfs/dbraw/zinc/79/73/50/659797350.db2.gz CFZQCBUCBXIRCC-HIFRSBDPSA-N 1 3 306.410 0.959 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001000219739 665787236 /nfs/dbraw/zinc/78/72/36/665787236.db2.gz QHUPYAOMMXVQAZ-GJZGRUSLSA-N 1 3 307.442 0.841 20 0 DCADHO CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC000982926995 661719940 /nfs/dbraw/zinc/71/99/40/661719940.db2.gz HEVDEDVATKNVCJ-CQSZACIVSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984806581 662316631 /nfs/dbraw/zinc/31/66/31/662316631.db2.gz YZJOKGBSHMBAPB-AJNGGQMLSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2nccn2C)C1 ZINC000984806581 662316634 /nfs/dbraw/zinc/31/66/34/662316634.db2.gz YZJOKGBSHMBAPB-AJNGGQMLSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000984806699 662316685 /nfs/dbraw/zinc/31/66/85/662316685.db2.gz ZXRJRXJYLNKYMM-AVGNSLFASA-N 1 3 323.466 0.864 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000984806699 662316689 /nfs/dbraw/zinc/31/66/89/662316689.db2.gz ZXRJRXJYLNKYMM-AVGNSLFASA-N 1 3 323.466 0.864 20 0 DCADHO Cn1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001029673170 662447619 /nfs/dbraw/zinc/44/76/19/662447619.db2.gz WSSRCGQABLGVHA-HOCLYGCPSA-N 1 3 319.453 0.795 20 0 DCADHO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001029673170 662447620 /nfs/dbraw/zinc/44/76/20/662447620.db2.gz WSSRCGQABLGVHA-HOCLYGCPSA-N 1 3 319.453 0.795 20 0 DCADHO CN(CCF)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000985442581 662448767 /nfs/dbraw/zinc/44/87/67/662448767.db2.gz IVULREXYFBORRA-LSDHHAIUSA-N 1 3 313.417 0.742 20 0 DCADHO CN(CCF)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000985442581 662448768 /nfs/dbraw/zinc/44/87/68/662448768.db2.gz IVULREXYFBORRA-LSDHHAIUSA-N 1 3 313.417 0.742 20 0 DCADHO CN(C)C1(C(=O)N2CCC([N@H+](C)[C@H]3CCNC3=O)CC2)CCC1 ZINC000985475731 662464758 /nfs/dbraw/zinc/46/47/58/662464758.db2.gz XFUPJCCNOUBRJM-AWEZNQCLSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)[C@H]3CCNC3=O)CC2)CCC1 ZINC000985475731 662464759 /nfs/dbraw/zinc/46/47/59/662464759.db2.gz XFUPJCCNOUBRJM-AWEZNQCLSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)[C@@H]3CCNC3=O)C2)CCC1 ZINC001029755918 662466452 /nfs/dbraw/zinc/46/64/52/662466452.db2.gz PKKZUTWRXCJWKM-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)[C@@H]3CCNC3=O)C2)CCC1 ZINC001029755918 662466453 /nfs/dbraw/zinc/46/64/53/662466453.db2.gz PKKZUTWRXCJWKM-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985647928 662495421 /nfs/dbraw/zinc/49/54/21/662495421.db2.gz RWRMEAGXUJVVAZ-ZFWWWQNUSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985647928 662495422 /nfs/dbraw/zinc/49/54/22/662495422.db2.gz RWRMEAGXUJVVAZ-ZFWWWQNUSA-N 1 3 324.469 0.657 20 0 DCADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985789904 662513239 /nfs/dbraw/zinc/51/32/39/662513239.db2.gz GOIXISPLDSGWMB-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985789904 662513241 /nfs/dbraw/zinc/51/32/41/662513241.db2.gz GOIXISPLDSGWMB-DZGCQCFKSA-N 1 3 322.453 0.092 20 0 DCADHO CN1CC[C@@H]([N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985790786 662513465 /nfs/dbraw/zinc/51/34/65/662513465.db2.gz YMAXFTKYIBWDKH-OAHLLOKOSA-N 1 3 322.453 0.236 20 0 DCADHO CN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000985790786 662513466 /nfs/dbraw/zinc/51/34/66/662513466.db2.gz YMAXFTKYIBWDKH-OAHLLOKOSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000897460786 662762039 /nfs/dbraw/zinc/76/20/39/662762039.db2.gz WQCZDFZBDJZBAX-CABCVRRESA-N 1 3 312.458 0.474 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000897460786 662762040 /nfs/dbraw/zinc/76/20/40/662762040.db2.gz WQCZDFZBDJZBAX-CABCVRRESA-N 1 3 312.458 0.474 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989071286 662879389 /nfs/dbraw/zinc/87/93/89/662879389.db2.gz NFBLRHFTMUVRDG-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989071286 662879391 /nfs/dbraw/zinc/87/93/91/662879391.db2.gz NFBLRHFTMUVRDG-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001030019476 662882785 /nfs/dbraw/zinc/88/27/85/662882785.db2.gz OKCAQAAJWUOVFG-RRFJBIMHSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nc(CN[C@H]2C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000989389195 662908731 /nfs/dbraw/zinc/90/87/31/662908731.db2.gz JFXCYSZQJLDDRQ-RISCZKNCSA-N 1 3 320.441 0.534 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCn2cccn2)CN1C(=O)Cc1c[nH]cn1 ZINC000989491216 662953343 /nfs/dbraw/zinc/95/33/43/662953343.db2.gz DVTNXIYKZSIJQL-OCCSQVGLSA-N 1 3 302.382 0.428 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC000989682877 662971510 /nfs/dbraw/zinc/97/15/10/662971510.db2.gz KJPSZUGWFQMIBZ-WCQYABFASA-N 1 3 318.425 0.288 20 0 DCADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1C ZINC000990277357 663027962 /nfs/dbraw/zinc/02/79/62/663027962.db2.gz NCWXRHGEBJGOEE-MRXNPFEDSA-N 1 3 319.453 0.903 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000899731731 663178225 /nfs/dbraw/zinc/17/82/25/663178225.db2.gz IIIMERZATBEXGO-QGZVFWFLSA-N 1 3 319.449 0.939 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000899731731 663178227 /nfs/dbraw/zinc/17/82/27/663178227.db2.gz IIIMERZATBEXGO-QGZVFWFLSA-N 1 3 319.449 0.939 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900442773 663243562 /nfs/dbraw/zinc/24/35/62/663243562.db2.gz RJOVKIIXNJAHRP-FPCVCCKLSA-N 1 3 307.438 0.983 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900442773 663243564 /nfs/dbraw/zinc/24/35/64/663243564.db2.gz RJOVKIIXNJAHRP-FPCVCCKLSA-N 1 3 307.438 0.983 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000900907338 663292751 /nfs/dbraw/zinc/29/27/51/663292751.db2.gz HEVKTVGIUGJDHL-KGLIPLIRSA-N 1 3 305.426 0.753 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000900907338 663292752 /nfs/dbraw/zinc/29/27/52/663292752.db2.gz HEVKTVGIUGJDHL-KGLIPLIRSA-N 1 3 305.426 0.753 20 0 DCADHO COC1CCN(CCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900980162 663298753 /nfs/dbraw/zinc/29/87/53/663298753.db2.gz IEOITRZLQCDUFF-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO COC1CCN(CCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900980162 663298756 /nfs/dbraw/zinc/29/87/56/663298756.db2.gz IEOITRZLQCDUFF-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO O=C1CCCN1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510008 663459075 /nfs/dbraw/zinc/45/90/75/663459075.db2.gz LQNJGWKMGCCZTQ-IYBDPMFKSA-N 1 3 306.454 0.509 20 0 DCADHO O=C1CCCN1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510008 663459078 /nfs/dbraw/zinc/45/90/78/663459078.db2.gz LQNJGWKMGCCZTQ-IYBDPMFKSA-N 1 3 306.454 0.509 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903581659 663466046 /nfs/dbraw/zinc/46/60/46/663466046.db2.gz RAANFAOSUIJGSO-NXEZZACHSA-N 1 3 317.377 0.479 20 0 DCADHO O=C(C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)N1CCOCC1 ZINC000903719152 663474806 /nfs/dbraw/zinc/47/48/06/663474806.db2.gz WEKQZCBLWWMYJT-OAHLLOKOSA-N 1 3 309.454 0.947 20 0 DCADHO O=C1NCCN1[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725813 663475138 /nfs/dbraw/zinc/47/51/38/663475138.db2.gz HWAOMTTWQZJQRL-HUUCEWRRSA-N 1 3 322.453 0.635 20 0 DCADHO O=C1CCCN1C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728944 663476111 /nfs/dbraw/zinc/47/61/11/663476111.db2.gz HYUSTGBSZYDXRP-NVXWUHKLSA-N 1 3 307.438 0.842 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903732830 663476417 /nfs/dbraw/zinc/47/64/17/663476417.db2.gz XRTMPIPPKOGIAL-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO O[C@@H]1CCC[C@@H]1N1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903738180 663478298 /nfs/dbraw/zinc/47/82/98/663478298.db2.gz YZFDWDAGEFDCJT-MWDXBVQZSA-N 1 3 309.454 0.286 20 0 DCADHO C([C@H]1CCOC1)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903740299 663478704 /nfs/dbraw/zinc/47/87/04/663478704.db2.gz FZXXOHOKOXGZSH-SJORKVTESA-N 1 3 323.481 0.799 20 0 DCADHO O=C1OCCN1[C@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765035 663480824 /nfs/dbraw/zinc/48/08/24/663480824.db2.gz FGUVZNVCFGTZKD-KBPBESRZSA-N 1 3 309.410 0.672 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](CCC(N)=O)C2)cnn1C ZINC000903888449 663489881 /nfs/dbraw/zinc/48/98/81/663489881.db2.gz CGECFPMOYZRMKJ-LSDHHAIUSA-N 1 3 321.469 0.823 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903898503 663494206 /nfs/dbraw/zinc/49/42/06/663494206.db2.gz OAUPTMAGTJMAAF-RYUDHWBXSA-N 1 3 304.385 0.207 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)C1 ZINC000904459624 663514884 /nfs/dbraw/zinc/51/48/84/663514884.db2.gz WVPHWTPZMHKUCZ-SRCQZFHVSA-N 1 3 302.422 0.398 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C(F)(F)F ZINC000904517888 663515665 /nfs/dbraw/zinc/51/56/65/663515665.db2.gz IAZBUOKCQHGMRD-VWYCJHECSA-N 1 3 324.347 0.117 20 0 DCADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)C[C@H](O)c1ccccc1 ZINC000905341739 663550881 /nfs/dbraw/zinc/55/08/81/663550881.db2.gz RJXWUUWIQWLAQH-MSOLQXFVSA-N 1 3 322.449 0.907 20 0 DCADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)C[C@H](O)c1ccccc1 ZINC000905341741 663551018 /nfs/dbraw/zinc/55/10/18/663551018.db2.gz RJXWUUWIQWLAQH-ROUUACIJSA-N 1 3 322.449 0.907 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941413152 665993774 /nfs/dbraw/zinc/99/37/74/665993774.db2.gz RUZNLBLVBMPDOC-NVXWUHKLSA-N 1 3 322.497 0.955 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941413152 665993775 /nfs/dbraw/zinc/99/37/75/665993775.db2.gz RUZNLBLVBMPDOC-NVXWUHKLSA-N 1 3 322.497 0.955 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC(=O)NCCN2CCCCC2)CC1 ZINC000909315504 663795009 /nfs/dbraw/zinc/79/50/09/663795009.db2.gz LDAWGIHFJHMVLX-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000910946486 663961019 /nfs/dbraw/zinc/96/10/19/663961019.db2.gz MWONXOWNWJQOKD-QLFBSQMISA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911054066 663972605 /nfs/dbraw/zinc/97/26/05/663972605.db2.gz CSQKCSYSFVMKJO-ILXRZTDVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911054217 663973061 /nfs/dbraw/zinc/97/30/61/663973061.db2.gz HFSZGQQCJNYYOG-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911055786 663973430 /nfs/dbraw/zinc/97/34/30/663973430.db2.gz PQUNEXIMNQLNKE-APIJFGDWSA-N 1 3 322.453 0.376 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911056731 663973435 /nfs/dbraw/zinc/97/34/35/663973435.db2.gz ZTYXKWFALPKJHR-VBQJREDUSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911030697 663974336 /nfs/dbraw/zinc/97/43/36/663974336.db2.gz ZWXUERLYKCXGEV-CRWXNKLISA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000911093708 663981124 /nfs/dbraw/zinc/98/11/24/663981124.db2.gz YDIKXFWIJHYIDG-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000911160567 663995252 /nfs/dbraw/zinc/99/52/52/663995252.db2.gz FGHXUMAGDUQTOQ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911161805 663995803 /nfs/dbraw/zinc/99/58/03/663995803.db2.gz NATHQWUIEUWFGZ-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911257097 664016960 /nfs/dbraw/zinc/01/69/60/664016960.db2.gz DGXPECGLBJXUBI-RDBSUJKOSA-N 1 3 324.469 0.467 20 0 DCADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000911324635 664028124 /nfs/dbraw/zinc/02/81/24/664028124.db2.gz HWWKBYBRPVXFHS-RBSFLKMASA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000911325525 664028663 /nfs/dbraw/zinc/02/86/63/664028663.db2.gz UBLSTXAOIIPAJQ-APIJFGDWSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000911528510 664068217 /nfs/dbraw/zinc/06/82/17/664068217.db2.gz PFWCBBUZDGOYAP-NWDGAFQWSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911532033 664069856 /nfs/dbraw/zinc/06/98/56/664069856.db2.gz JEDUZRAEGRHOJJ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911531591 664070127 /nfs/dbraw/zinc/07/01/27/664070127.db2.gz IAQTYIHGEFXFJS-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C[C@@H]1C[NH3+] ZINC000911533729 664070636 /nfs/dbraw/zinc/07/06/36/664070636.db2.gz QMQHIKLNIRLQAN-KGLIPLIRSA-N 1 3 324.469 0.278 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000911521202 664074222 /nfs/dbraw/zinc/07/42/22/664074222.db2.gz UAYCYSNVQJSVSB-OLZOCXBDSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCC[C@H](C)C1 ZINC000911546226 664076064 /nfs/dbraw/zinc/07/60/64/664076064.db2.gz OVLXQUSIRAEFBV-SBJFKYEJSA-N 1 3 322.453 0.232 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC000911736224 664104867 /nfs/dbraw/zinc/10/48/67/664104867.db2.gz INXNFLXWAHMEQC-KBPBESRZSA-N 1 3 316.405 0.723 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NC[C@H]3CCC[NH2+]3)ccc2NC1=O ZINC000911751643 664105875 /nfs/dbraw/zinc/10/58/75/664105875.db2.gz NSCISCTVSHMMML-OLZOCXBDSA-N 1 3 302.378 0.380 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC000991440693 664295697 /nfs/dbraw/zinc/29/56/97/664295697.db2.gz KOUPYOVZJAUQRU-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CN1C[C@]2(C)CN(S(=O)(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC000918370363 665165924 /nfs/dbraw/zinc/16/59/24/665165924.db2.gz XCTXAKPUFVYJKD-ZIAGYGMSSA-N 1 3 303.472 0.542 20 0 DCADHO CO[C@@H](C)CN1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032044627 666212320 /nfs/dbraw/zinc/21/23/20/666212320.db2.gz VRKSYNVQAFMUBW-ZDUSSCGKSA-N 1 3 323.441 0.141 20 0 DCADHO C[C@H]1CC[C@@H](CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001032130208 666366117 /nfs/dbraw/zinc/36/61/17/666366117.db2.gz HKMOCZWBDBVSAU-ZFWWWQNUSA-N 1 3 307.438 0.698 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC000944300863 666416134 /nfs/dbraw/zinc/41/61/34/666416134.db2.gz ZNLOBVDBKLOGNY-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000944300863 666416136 /nfs/dbraw/zinc/41/61/36/666416136.db2.gz ZNLOBVDBKLOGNY-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000944329306 666418835 /nfs/dbraw/zinc/41/88/35/666418835.db2.gz SJKRETJXHMNQLK-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC000944329306 666418837 /nfs/dbraw/zinc/41/88/37/666418837.db2.gz SJKRETJXHMNQLK-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001004056601 666432195 /nfs/dbraw/zinc/43/21/95/666432195.db2.gz VLBAAOBVRDYDOQ-ZDUSSCGKSA-N 1 3 306.410 0.878 20 0 DCADHO Cn1cc(CCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001004142047 666455650 /nfs/dbraw/zinc/45/56/50/666455650.db2.gz GLPDSGKZOMQHPB-OAHLLOKOSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001004142047 666455651 /nfs/dbraw/zinc/45/56/51/666455651.db2.gz GLPDSGKZOMQHPB-OAHLLOKOSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623368 666556961 /nfs/dbraw/zinc/55/69/61/666556961.db2.gz JKJXJPVMJVBKOY-QMCVQRASSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623368 666556963 /nfs/dbraw/zinc/55/69/63/666556963.db2.gz JKJXJPVMJVBKOY-QMCVQRASSA-N 1 3 323.481 0.878 20 0 DCADHO C[C@@H](O)CN1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181293 666608866 /nfs/dbraw/zinc/60/88/66/666608866.db2.gz HQMDKHBFBGFYCA-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)C1 ZINC000946778967 666650545 /nfs/dbraw/zinc/65/05/45/666650545.db2.gz AINDKOJLOSMQIM-HRCADAONSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)C1 ZINC000946778967 666650547 /nfs/dbraw/zinc/65/05/47/666650547.db2.gz AINDKOJLOSMQIM-HRCADAONSA-N 1 3 309.454 0.491 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000946804327 666671077 /nfs/dbraw/zinc/67/10/77/666671077.db2.gz KLXBVJAWCQHYEW-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000946804327 666671080 /nfs/dbraw/zinc/67/10/80/666671080.db2.gz KLXBVJAWCQHYEW-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995878241 666716319 /nfs/dbraw/zinc/71/63/19/666716319.db2.gz DMMXRFAEKXYKSZ-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995878241 666716321 /nfs/dbraw/zinc/71/63/21/666716321.db2.gz DMMXRFAEKXYKSZ-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C)C(N)=O ZINC000995915716 666722077 /nfs/dbraw/zinc/72/20/77/666722077.db2.gz GMHCRXNJBONNCV-KGLIPLIRSA-N 1 3 324.469 0.561 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996339194 666772835 /nfs/dbraw/zinc/77/28/35/666772835.db2.gz WMBSASZBZHFLRG-CQSZACIVSA-N 1 3 320.437 0.036 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1)C1CCC1 ZINC000996664720 666853560 /nfs/dbraw/zinc/85/35/60/666853560.db2.gz IBSDDDFSQWEWDT-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000996822317 666932724 /nfs/dbraw/zinc/93/27/24/666932724.db2.gz MFVPAMNZTCKNEL-GNHJJJEISA-N 1 3 307.438 0.839 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000861729580 666967343 /nfs/dbraw/zinc/96/73/43/666967343.db2.gz VPJUZKBOQLJPHN-HZSPNIEDSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000861732918 666968932 /nfs/dbraw/zinc/96/89/32/666968932.db2.gz NCSNMIXBUVLDAM-HIFRSBDPSA-N 1 3 320.437 0.081 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000996965238 667044089 /nfs/dbraw/zinc/04/40/89/667044089.db2.gz NPRSOODKNNOXPJ-HUUCEWRRSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000997007870 667070622 /nfs/dbraw/zinc/07/06/22/667070622.db2.gz QZVZLKRPAZLBEF-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997008543 667070860 /nfs/dbraw/zinc/07/08/60/667070860.db2.gz NEAWIJCNTOUGMQ-RISCZKNCSA-N 1 3 323.466 0.816 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997008543 667070863 /nfs/dbraw/zinc/07/08/63/667070863.db2.gz NEAWIJCNTOUGMQ-RISCZKNCSA-N 1 3 323.466 0.816 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC000997011133 667073365 /nfs/dbraw/zinc/07/33/65/667073365.db2.gz WPYFPNSHJKVXKE-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001035101442 667238617 /nfs/dbraw/zinc/23/86/17/667238617.db2.gz VLWYXAQFLIOXPX-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001035101442 667238620 /nfs/dbraw/zinc/23/86/20/667238620.db2.gz VLWYXAQFLIOXPX-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nnc([C@H](C)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997299475 667240406 /nfs/dbraw/zinc/24/04/06/667240406.db2.gz NWCHLGOUGTZNTA-WCQYABFASA-N 1 3 320.441 0.706 20 0 DCADHO Cc1nnc([C@H](C)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997299475 667240410 /nfs/dbraw/zinc/24/04/10/667240410.db2.gz NWCHLGOUGTZNTA-WCQYABFASA-N 1 3 320.441 0.706 20 0 DCADHO Cn1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000997307833 667244448 /nfs/dbraw/zinc/24/44/48/667244448.db2.gz XBRQHHADKKGPNY-UHFFFAOYSA-N 1 3 305.426 0.597 20 0 DCADHO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035798308 667410670 /nfs/dbraw/zinc/41/06/70/667410670.db2.gz LZPXBYGGGHGKCJ-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO Cc1nc(CN2CCC[C@@H](N(C)[C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)no1 ZINC000923322420 667507300 /nfs/dbraw/zinc/50/73/00/667507300.db2.gz LGEBUVBHIOGBIC-CRWXNKLISA-N 1 3 309.414 0.125 20 0 DCADHO C[C@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@@H](C)CN1 ZINC000884244842 667508441 /nfs/dbraw/zinc/50/84/41/667508441.db2.gz LWNOHUOTDJASGU-STQMWFEESA-N 1 3 303.410 0.314 20 0 DCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000884339934 667528036 /nfs/dbraw/zinc/52/80/36/667528036.db2.gz ALBFEMSLWKYZDE-KBPBESRZSA-N 1 3 308.430 0.534 20 0 DCADHO COc1cccc(NC(=O)CCN2CCNCC[NH2+]CC2)c1 ZINC000923462995 667538600 /nfs/dbraw/zinc/53/86/00/667538600.db2.gz NXMWWAPQPJKCIO-UHFFFAOYSA-N 1 3 306.410 0.519 20 0 DCADHO COCC[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000884404060 667538673 /nfs/dbraw/zinc/53/86/73/667538673.db2.gz AEEIXUMXBYHNGM-BZUAXINKSA-N 1 3 321.421 0.621 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](C[NH3+])[C@@H](C)C2)C1 ZINC000923496100 667545566 /nfs/dbraw/zinc/54/55/66/667545566.db2.gz GOKFTDGIKQHUHK-NWANDNLSSA-N 1 3 310.442 0.030 20 0 DCADHO COc1ccc(CNC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000923489709 667546062 /nfs/dbraw/zinc/54/60/62/667546062.db2.gz GMBLXXPTDIRDNI-CYBMUJFWSA-N 1 3 321.421 0.991 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000923494583 667547068 /nfs/dbraw/zinc/54/70/68/667547068.db2.gz YDXZJZLUSYTUQR-ZDUSSCGKSA-N 1 3 309.385 0.991 20 0 DCADHO CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CCN(CCO)CC1 ZINC001006120786 667551318 /nfs/dbraw/zinc/55/13/18/667551318.db2.gz RNKAZHVXQXIHBA-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CCN(CCO)CC1 ZINC001006120786 667551322 /nfs/dbraw/zinc/55/13/22/667551322.db2.gz RNKAZHVXQXIHBA-JKSUJKDBSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000868407288 667567886 /nfs/dbraw/zinc/56/78/86/667567886.db2.gz UUDOIZMWLQGJOU-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1(C)C ZINC000868407640 667567991 /nfs/dbraw/zinc/56/79/91/667567991.db2.gz ZGGYSCQCIFLLOK-CXAGYDPISA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884577787 667569171 /nfs/dbraw/zinc/56/91/71/667569171.db2.gz MAOZZIDPOFIFTB-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000884576942 667569469 /nfs/dbraw/zinc/56/94/69/667569469.db2.gz UGAMMUWRTOBCBG-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884617897 667576924 /nfs/dbraw/zinc/57/69/24/667576924.db2.gz UKRXGHKBTWUONP-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000884776399 667605701 /nfs/dbraw/zinc/60/57/01/667605701.db2.gz RHZBWEZERKAABX-XJFOESAGSA-N 1 3 308.426 0.068 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CCC1(C)C ZINC000884782745 667606586 /nfs/dbraw/zinc/60/65/86/667606586.db2.gz SDKVWJAKTFMZRB-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884787703 667607140 /nfs/dbraw/zinc/60/71/40/667607140.db2.gz ZFXIQPNWIGERHL-XGUBFFRZSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884926122 667624372 /nfs/dbraw/zinc/62/43/72/667624372.db2.gz OMKVSCZWRRFLJG-RBSFLKMASA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N1CCC[C@@H](C)C1 ZINC000885203558 667652179 /nfs/dbraw/zinc/65/21/79/667652179.db2.gz VERSEHNBUVLSFA-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CN([C@@H]1CCOC1=O)[C@H]1CC[C@H]([N@H+](C)[C@@H]2CCOC2=O)CC1 ZINC000886394216 667762091 /nfs/dbraw/zinc/76/20/91/667762091.db2.gz VIUGMYXICHNECJ-AAVRWANBSA-N 1 3 310.394 0.792 20 0 DCADHO CN([C@@H]1CCOC1=O)[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CCOC2=O)CC1 ZINC000886394216 667762094 /nfs/dbraw/zinc/76/20/94/667762094.db2.gz VIUGMYXICHNECJ-AAVRWANBSA-N 1 3 310.394 0.792 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000870982036 667780733 /nfs/dbraw/zinc/78/07/33/667780733.db2.gz VXZOBXRYNLJZQQ-JKSUJKDBSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)Cn1cccn1 ZINC000887131105 667852868 /nfs/dbraw/zinc/85/28/68/667852868.db2.gz RBHKLSVDGSPZNO-ZBFHGGJFSA-N 1 3 301.394 0.850 20 0 DCADHO C[C@@H]1CC[C@@H](CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)O1 ZINC000872145765 667868089 /nfs/dbraw/zinc/86/80/89/667868089.db2.gz XVUXFYOPCLWUPR-BEAPCOKYSA-N 1 3 309.410 0.811 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@H]([C@@H]3CCCO3)C2)C1=O ZINC000887306137 667868151 /nfs/dbraw/zinc/86/81/51/667868151.db2.gz KGQWCEZTUPYOJC-KKUMJFAQSA-N 1 3 323.437 0.567 20 0 DCADHO CC(C)(O)C[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000872202733 667876146 /nfs/dbraw/zinc/87/61/46/667876146.db2.gz JISYGYPBVJBSAN-ZNMIVQPWSA-N 1 3 300.443 0.476 20 0 DCADHO CC(C)OC[C@@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000872202776 667876762 /nfs/dbraw/zinc/87/67/62/667876762.db2.gz JZEBDCLAAXVPEA-XHSDSOJGSA-N 1 3 300.443 0.740 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000889761141 667992662 /nfs/dbraw/zinc/99/26/62/667992662.db2.gz JWQUMYCILDDJIV-JKSUJKDBSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873219412 668066562 /nfs/dbraw/zinc/06/65/62/668066562.db2.gz ZWGLEMRNBRMXNW-UHFFFAOYSA-N 1 3 300.410 0.910 20 0 DCADHO CN1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CCC1(C)C ZINC000874991505 668243690 /nfs/dbraw/zinc/24/36/90/668243690.db2.gz GLAIUDNAQJJOBV-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000925417350 668314543 /nfs/dbraw/zinc/31/45/43/668314543.db2.gz ZMDUUUDESGOWHA-JKSUJKDBSA-N 1 3 323.485 0.500 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000925417350 668314549 /nfs/dbraw/zinc/31/45/49/668314549.db2.gz ZMDUUUDESGOWHA-JKSUJKDBSA-N 1 3 323.485 0.500 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1 ZINC000875459339 668325234 /nfs/dbraw/zinc/32/52/34/668325234.db2.gz ACRQKGCAODUCIA-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1 ZINC000875459339 668325237 /nfs/dbraw/zinc/32/52/37/668325237.db2.gz ACRQKGCAODUCIA-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](N[C@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000925769598 668347007 /nfs/dbraw/zinc/34/70/07/668347007.db2.gz PBFADRMMBIHQHL-ULQDDVLXSA-N 1 3 310.486 0.371 20 0 DCADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2 ZINC000926177582 668382781 /nfs/dbraw/zinc/38/27/81/668382781.db2.gz WWFYXAYFDSBRCB-MUIFIZLQSA-N 1 3 311.470 0.923 20 0 DCADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2 ZINC000926177582 668382783 /nfs/dbraw/zinc/38/27/83/668382783.db2.gz WWFYXAYFDSBRCB-MUIFIZLQSA-N 1 3 311.470 0.923 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000763021992 668391526 /nfs/dbraw/zinc/39/15/26/668391526.db2.gz ZXKSUVFKZKSYOL-MRXNPFEDSA-N 1 3 314.474 0.864 20 0 DCADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cnnn1C ZINC000926574910 668413171 /nfs/dbraw/zinc/41/31/71/668413171.db2.gz AWTKKZUTKSMHLH-AWEZNQCLSA-N 1 3 322.457 0.262 20 0 DCADHO CN(C)C[C@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000876762825 668504636 /nfs/dbraw/zinc/50/46/36/668504636.db2.gz HGFWMODIAXOVSR-HNNXBMFYSA-N 1 3 308.426 0.845 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876780320 668509513 /nfs/dbraw/zinc/50/95/13/668509513.db2.gz FDAAOSREQWZBAY-JTUDCUDASA-N 1 3 308.470 0.684 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876780328 668509574 /nfs/dbraw/zinc/50/95/74/668509574.db2.gz FDAAOSREQWZBAY-ZWOPJXCPSA-N 1 3 308.470 0.684 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876782442 668510673 /nfs/dbraw/zinc/51/06/73/668510673.db2.gz RCLHTTWJYAZGFQ-KFWWJZLASA-N 1 3 310.486 0.750 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876923791 668536761 /nfs/dbraw/zinc/53/67/61/668536761.db2.gz IOGKQLAKEKSDCK-SJLPKXTDSA-N 1 3 316.449 0.800 20 0 DCADHO Cn1ncc(CN)c1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000876980280 668547320 /nfs/dbraw/zinc/54/73/20/668547320.db2.gz BXBFOQOSGNFDNN-UHFFFAOYSA-N 1 3 305.426 0.731 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000877108937 668563229 /nfs/dbraw/zinc/56/32/29/668563229.db2.gz XYTNYXJVTGPNMC-NSHDSACASA-N 1 3 319.409 0.723 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000877133658 668565139 /nfs/dbraw/zinc/56/51/39/668565139.db2.gz GDCHTSNDRGHILQ-XIRDDKMYSA-N 1 3 318.465 0.760 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CN(C)C ZINC000877133658 668565140 /nfs/dbraw/zinc/56/51/40/668565140.db2.gz GDCHTSNDRGHILQ-XIRDDKMYSA-N 1 3 318.465 0.760 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1=O ZINC000877152723 668568704 /nfs/dbraw/zinc/56/87/04/668568704.db2.gz CFFTVEQEQKBMGA-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877186128 668573463 /nfs/dbraw/zinc/57/34/63/668573463.db2.gz RUTFGDLCBIOJBK-PQUAAJSLSA-N 1 3 316.449 0.928 20 0 DCADHO C[C@H](NC(=O)[C@H](N)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000877253751 668585223 /nfs/dbraw/zinc/58/52/23/668585223.db2.gz HBPNCQVWQXMSPL-WMLDXEAASA-N 1 3 318.465 0.950 20 0 DCADHO CN(CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1cc[nH+]cc1 ZINC000779506039 668911843 /nfs/dbraw/zinc/91/18/43/668911843.db2.gz MTINCNJYQDEHTJ-JKSUJKDBSA-N 1 3 318.421 0.887 20 0 DCADHO CCOC(=O)COCC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879595905 669070475 /nfs/dbraw/zinc/07/04/75/669070475.db2.gz HKIBEHBLOBXWOT-UHFFFAOYSA-N 1 3 313.442 0.278 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H](C)C1 ZINC000799165062 670046555 /nfs/dbraw/zinc/04/65/55/670046555.db2.gz REVZHNODCGTLSK-IHRRRGAJSA-N 1 3 311.426 0.518 20 0 DCADHO COC(=O)CNC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179025 670048548 /nfs/dbraw/zinc/04/85/48/670048548.db2.gz YPWJGUMLVVCNLX-ZDUSSCGKSA-N 1 3 311.426 0.472 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000950822162 670133450 /nfs/dbraw/zinc/13/34/50/670133450.db2.gz YULMHGWUUMFRIG-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO CC(=O)N1CCN(C(=O)CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000858131300 670973048 /nfs/dbraw/zinc/97/30/48/670973048.db2.gz QUQXJEDBIAWPPV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(=O)N1CCN(C(=O)CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000858131300 670973050 /nfs/dbraw/zinc/97/30/50/670973050.db2.gz QUQXJEDBIAWPPV-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO COCCS(=O)(=O)CCCN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818340922 671005074 /nfs/dbraw/zinc/00/50/74/671005074.db2.gz SKIFGPFDEKPXKI-CQSZACIVSA-N 1 3 318.483 0.902 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000851676792 671010556 /nfs/dbraw/zinc/01/05/56/671010556.db2.gz NLVXYDRAVDEBEY-ZFWWWQNUSA-N 1 3 310.442 0.620 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000851691034 671016008 /nfs/dbraw/zinc/01/60/08/671016008.db2.gz JLJHWSPBWYYDRR-YOEHRIQHSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000852095416 671087148 /nfs/dbraw/zinc/08/71/48/671087148.db2.gz WOJWCKQFZOSXJS-OWCLPIDISA-N 1 3 300.443 0.597 20 0 DCADHO CON(C)C(=O)CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000819174787 671099946 /nfs/dbraw/zinc/09/99/46/671099946.db2.gz RHGVMFVSFGJKCO-CABCVRRESA-N 1 3 313.442 0.754 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852865468 671179013 /nfs/dbraw/zinc/17/90/13/671179013.db2.gz DJPMOZCBDNBWKX-UHFFFAOYSA-N 1 3 322.453 0.309 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852873007 671181524 /nfs/dbraw/zinc/18/15/24/671181524.db2.gz NZOLAGHRERQYGC-OAHLLOKOSA-N 1 3 308.470 0.686 20 0 DCADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)[C@@H]2C1 ZINC000824302908 671427394 /nfs/dbraw/zinc/42/73/94/671427394.db2.gz IWCYRQDUGJQMPJ-YHUYYLMFSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)[C@@H]2C1 ZINC000824302908 671427396 /nfs/dbraw/zinc/42/73/96/671427396.db2.gz IWCYRQDUGJQMPJ-YHUYYLMFSA-N 1 3 322.453 0.585 20 0 DCADHO CCO[C@H](CNC(=O)c1ccnn1CCN(C)C)C[NH+](C)C ZINC000831712484 671681018 /nfs/dbraw/zinc/68/10/18/671681018.db2.gz CHBBZQMDDXSHKU-CYBMUJFWSA-N 1 3 311.430 0.141 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@@H+]1C ZINC000930149017 671839864 /nfs/dbraw/zinc/83/98/64/671839864.db2.gz WRYSAERPUZVGDS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[N@H+]1C ZINC000930149017 671839867 /nfs/dbraw/zinc/83/98/67/671839867.db2.gz WRYSAERPUZVGDS-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841788216 671955179 /nfs/dbraw/zinc/95/51/79/671955179.db2.gz DUNIWWBCZNCQGS-LSDHHAIUSA-N 1 3 308.426 0.459 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CCCCC1 ZINC000842016390 671974660 /nfs/dbraw/zinc/97/46/60/671974660.db2.gz VAAPUBQIHFOERF-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1n[nH]c2c1CNCC2 ZINC000843456170 672098631 /nfs/dbraw/zinc/09/86/31/672098631.db2.gz DSSVREYAXSZYGU-UHFFFAOYSA-N 1 3 315.381 0.429 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974169 685399818 /nfs/dbraw/zinc/39/98/18/685399818.db2.gz OFKPVGJFBTXZRZ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC001024477419 693808230 /nfs/dbraw/zinc/80/82/30/693808230.db2.gz LTIHPNBJNFYOKN-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC001024477419 693808233 /nfs/dbraw/zinc/80/82/33/693808233.db2.gz LTIHPNBJNFYOKN-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CCO ZINC001037950036 693973323 /nfs/dbraw/zinc/97/33/23/693973323.db2.gz NRIJWLZLHSKYMF-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000955338680 686369884 /nfs/dbraw/zinc/36/98/84/686369884.db2.gz KBFHHLMOAUMENP-AWEZNQCLSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000955338680 686369893 /nfs/dbraw/zinc/36/98/93/686369893.db2.gz KBFHHLMOAUMENP-AWEZNQCLSA-N 1 3 322.453 0.236 20 0 DCADHO O=C(CN1CCCC1)N1CCC2(CC1)CC[NH+](CCO)CC2 ZINC000957645293 687090564 /nfs/dbraw/zinc/09/05/64/687090564.db2.gz VSKPMIAUGLYTAW-UHFFFAOYSA-N 1 3 309.454 0.779 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCO ZINC000960303218 688347245 /nfs/dbraw/zinc/34/72/45/688347245.db2.gz CIJLHFQOUUIXFM-FDQGKXFDSA-N 1 3 317.433 0.835 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1 ZINC000962304694 688878013 /nfs/dbraw/zinc/87/80/13/688878013.db2.gz CGKZGOQHYRVUDK-HLIUYOAVSA-N 1 3 319.453 0.889 20 0 DCADHO CCn1ccnc1CNCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000962707401 688969124 /nfs/dbraw/zinc/96/91/24/688969124.db2.gz FULFGVGIQNEDKY-SLTAFYQDSA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccnc1CNCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000962707401 688969125 /nfs/dbraw/zinc/96/91/25/688969125.db2.gz FULFGVGIQNEDKY-SLTAFYQDSA-N 1 3 319.453 0.839 20 0 DCADHO CC[C@@H]([NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC000963954957 689112671 /nfs/dbraw/zinc/11/26/71/689112671.db2.gz GWMCCHIRJLOMFK-UXUKBGGZSA-N 1 3 321.425 0.575 20 0 DCADHO C[C@@H]([NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1)C(N)=O ZINC000965061216 689347767 /nfs/dbraw/zinc/34/77/67/689347767.db2.gz ANECQEPWZWUTJY-PPAFITILSA-N 1 3 322.453 0.362 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CCO)CC[C@H]2C)CC1 ZINC000968493135 690293750 /nfs/dbraw/zinc/29/37/50/690293750.db2.gz OXBHLAHFXHEJON-GDBMZVCRSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011159258 691479157 /nfs/dbraw/zinc/47/91/57/691479157.db2.gz RBOFYMWHTLBDHF-HUUCEWRRSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011159258 691479159 /nfs/dbraw/zinc/47/91/59/691479159.db2.gz RBOFYMWHTLBDHF-HUUCEWRRSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](O)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421053 694548926 /nfs/dbraw/zinc/54/89/26/694548926.db2.gz CZDRJGBSLGIJFQ-BBRMVZONSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H](O)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040421053 694548931 /nfs/dbraw/zinc/54/89/31/694548931.db2.gz CZDRJGBSLGIJFQ-BBRMVZONSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CCCO)CC2 ZINC001016830831 692781204 /nfs/dbraw/zinc/78/12/04/692781204.db2.gz WOQDLKJWNMXCOL-CABCVRRESA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001018835422 693256138 /nfs/dbraw/zinc/25/61/38/693256138.db2.gz HBHMBBNNJHPLRG-GOEBONIOSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001018835422 693256141 /nfs/dbraw/zinc/25/61/41/693256141.db2.gz HBHMBBNNJHPLRG-GOEBONIOSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC001018848818 693261251 /nfs/dbraw/zinc/26/12/51/693261251.db2.gz KROPBCOUDAOVHN-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001018870915 693269120 /nfs/dbraw/zinc/26/91/20/693269120.db2.gz RZXMAVYZROADLA-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001018870915 693269125 /nfs/dbraw/zinc/26/91/25/693269125.db2.gz RZXMAVYZROADLA-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001019241512 693404597 /nfs/dbraw/zinc/40/45/97/693404597.db2.gz DBYCZWPHIMVQGC-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019324811 693433389 /nfs/dbraw/zinc/43/33/89/693433389.db2.gz CKADYSXZPYPJAX-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001019381041 693454498 /nfs/dbraw/zinc/45/44/98/693454498.db2.gz WQKDQYYJFKSOLZ-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001019381041 693454501 /nfs/dbraw/zinc/45/45/01/693454501.db2.gz WQKDQYYJFKSOLZ-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO Cn1nccc1CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019436026 693473207 /nfs/dbraw/zinc/47/32/07/693473207.db2.gz QBHGVRVYHHJUIO-LBPRGKRZSA-N 1 3 302.382 0.119 20 0 DCADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001019438260 693474235 /nfs/dbraw/zinc/47/42/35/693474235.db2.gz JGSPGNWXHGKNKW-AWEZNQCLSA-N 1 3 316.409 0.602 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001019812289 693593146 /nfs/dbraw/zinc/59/31/46/693593146.db2.gz HNIBKSIXBBZBAU-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](C[C@H]2CCOC2)C3)C1 ZINC001072983439 694691234 /nfs/dbraw/zinc/69/12/34/694691234.db2.gz WKJQVTYLWCNBIF-JKSUJKDBSA-N 1 3 321.465 0.899 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](C[C@H]2CCOC2)C3)C1 ZINC001072983439 694691235 /nfs/dbraw/zinc/69/12/35/694691235.db2.gz WKJQVTYLWCNBIF-JKSUJKDBSA-N 1 3 321.465 0.899 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001074563047 694907993 /nfs/dbraw/zinc/90/79/93/694907993.db2.gz SZKRYEDHNPDFBC-BPUTZDHNSA-N 1 3 319.453 0.902 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C)N(C)C ZINC001074885696 694928610 /nfs/dbraw/zinc/92/86/10/694928610.db2.gz RZKUHIKDIGASPY-KKUMJFAQSA-N 1 3 307.442 0.802 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001076589443 695030535 /nfs/dbraw/zinc/03/05/35/695030535.db2.gz GUGPZWDAUFRTMQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001076589443 695030536 /nfs/dbraw/zinc/03/05/36/695030536.db2.gz GUGPZWDAUFRTMQ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001691339238 1157646966 /nfs/dbraw/zinc/64/69/66/1157646966.db2.gz DKSBTBJFOSCGLF-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001691339238 1157646968 /nfs/dbraw/zinc/64/69/68/1157646968.db2.gz DKSBTBJFOSCGLF-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)CN(C)C2CCC2)n1 ZINC001691347326 1157649325 /nfs/dbraw/zinc/64/93/25/1157649325.db2.gz CCWCILJQLFLZFY-UHFFFAOYSA-N 1 3 322.457 0.427 20 0 DCADHO CO[C@H]1C[NH2+]C[C@@H]1S(=O)(=O)[N-]CC[NH+](C(C)C)C(C)C ZINC000396676946 1157939589 /nfs/dbraw/zinc/93/95/89/1157939589.db2.gz ULGSNOQASBBPIE-STQMWFEESA-N 1 3 307.460 0.011 20 0 DCADHO C[C@H]([NH3+])C1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC001648970553 1158206361 /nfs/dbraw/zinc/20/63/61/1158206361.db2.gz QDNAUESBVXQTII-BFHYXJOUSA-N 1 3 311.426 0.110 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001648974753 1158222316 /nfs/dbraw/zinc/22/23/16/1158222316.db2.gz GLOYMRBVSIIRDF-XIRDDKMYSA-N 1 3 319.449 0.984 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001446439171 1159414524 /nfs/dbraw/zinc/41/45/24/1159414524.db2.gz OOCROCLPSLCGOB-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)N(C)C)CC[N@H+]1C ZINC001446439171 1159414526 /nfs/dbraw/zinc/41/45/26/1159414526.db2.gz OOCROCLPSLCGOB-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001446536506 1159461882 /nfs/dbraw/zinc/46/18/82/1159461882.db2.gz KNYRNDMPPXGFBY-HIFRSBDPSA-N 1 3 303.422 0.629 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001446536506 1159461893 /nfs/dbraw/zinc/46/18/93/1159461893.db2.gz KNYRNDMPPXGFBY-HIFRSBDPSA-N 1 3 303.422 0.629 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001447756605 1159695109 /nfs/dbraw/zinc/69/51/09/1159695109.db2.gz SIDNXSUHOFHITB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001447756605 1159695111 /nfs/dbraw/zinc/69/51/11/1159695111.db2.gz SIDNXSUHOFHITB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001449090584 1159742658 /nfs/dbraw/zinc/74/26/58/1159742658.db2.gz ZHYSFESMRUVVGC-ZIAGYGMSSA-N 1 3 315.458 0.161 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1 ZINC001453217131 1159750919 /nfs/dbraw/zinc/75/09/19/1159750919.db2.gz VBISZHRCTCFJMO-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001566508462 1160030928 /nfs/dbraw/zinc/03/09/28/1160030928.db2.gz FSNBHZAPLOTQII-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001566508462 1160030940 /nfs/dbraw/zinc/03/09/40/1160030940.db2.gz FSNBHZAPLOTQII-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001566508463 1160032458 /nfs/dbraw/zinc/03/24/58/1160032458.db2.gz FSNBHZAPLOTQII-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001566508463 1160032468 /nfs/dbraw/zinc/03/24/68/1160032468.db2.gz FSNBHZAPLOTQII-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]([NH2+]CCOCCO)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566534094 1160042599 /nfs/dbraw/zinc/04/25/99/1160042599.db2.gz RJNKGIVOTNQIBD-DZGCQCFKSA-N 1 3 324.425 0.320 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOCC(F)F)C1)N(C)C ZINC001566773774 1160148066 /nfs/dbraw/zinc/14/80/66/1160148066.db2.gz PLORZUWVYYQREH-RYUDHWBXSA-N 1 3 307.385 0.799 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001567497324 1160396214 /nfs/dbraw/zinc/39/62/14/1160396214.db2.gz UNHQQNSSFTVRQW-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001567497324 1160396222 /nfs/dbraw/zinc/39/62/22/1160396222.db2.gz UNHQQNSSFTVRQW-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001568379878 1160638278 /nfs/dbraw/zinc/63/82/78/1160638278.db2.gz YPRREZBVIRPVKP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001568645951 1160721772 /nfs/dbraw/zinc/72/17/72/1160721772.db2.gz NCMGEJGOADCCEH-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001568879878 1160839557 /nfs/dbraw/zinc/83/95/57/1160839557.db2.gz PYRNULJPMKPGPO-ISZGNANSSA-N 1 3 322.453 0.354 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC/C=C/C[NH2+]CCCO)C1 ZINC001568919719 1160867015 /nfs/dbraw/zinc/86/70/15/1160867015.db2.gz HNGUZOGVVATMFG-APHBUQMISA-N 1 3 315.433 0.843 20 0 DCADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@H](O)CC(F)(F)F ZINC001568963597 1160900517 /nfs/dbraw/zinc/90/05/17/1160900517.db2.gz DMAQPLMDNKXPAP-YYRQZUAOSA-N 1 3 323.359 0.658 20 0 DCADHO Cc1nccnc1CNCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569267070 1160998127 /nfs/dbraw/zinc/99/81/27/1160998127.db2.gz MBCDWACTSVATCP-CQSZACIVSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1nccnc1CNCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001569267070 1160998134 /nfs/dbraw/zinc/99/81/34/1160998134.db2.gz MBCDWACTSVATCP-CQSZACIVSA-N 1 3 305.426 0.675 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC([C@H]3C[C@@H]3[NH3+])CC2)C1=O ZINC001573921284 1163586593 /nfs/dbraw/zinc/58/65/93/1163586593.db2.gz CRILINAIEQEEBF-RDBSUJKOSA-N 1 3 309.410 0.210 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(CCc2c[nH]nn2)C1 ZINC001576750071 1164451286 /nfs/dbraw/zinc/45/12/86/1164451286.db2.gz LGFZISHUMNBPOO-AWEZNQCLSA-N 1 3 308.430 0.270 20 0 DCADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CC(NCc2cn[nH]n2)C1 ZINC001576875610 1164510237 /nfs/dbraw/zinc/51/02/37/1164510237.db2.gz IIEIFAVVPXHIAX-UHFFFAOYSA-N 1 3 320.441 0.616 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H](O)C[NH3+])N1CCc2ccccc2C1 ZINC001577086582 1164600746 /nfs/dbraw/zinc/60/07/46/1164600746.db2.gz YNETVWFPUZKKEJ-HZPDHXFCSA-N 1 3 305.422 0.649 20 0 DCADHO CC[C@H]1CN(c2nnc(C)n2CCN(C)CCOC)CC[C@@H]1[NH3+] ZINC001577293134 1164661001 /nfs/dbraw/zinc/66/10/01/1164661001.db2.gz YLUMZDISFHBYBK-GJZGRUSLSA-N 1 3 324.473 0.728 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)N2CCN[C@H]3C[C@H]32)CC1 ZINC001577778230 1164792486 /nfs/dbraw/zinc/79/24/86/1164792486.db2.gz NLFOJIQXIXFQSA-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO CCOCc1nnc(N2CCN(CC(C)C)CC2)n1CCC[NH3+] ZINC001578141986 1164934748 /nfs/dbraw/zinc/93/47/48/1164934748.db2.gz HVXZXDQLLHVXSE-UHFFFAOYSA-N 1 3 324.473 0.941 20 0 DCADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@H](F)C1C[NH2+]C1 ZINC001578412334 1165004718 /nfs/dbraw/zinc/00/47/18/1165004718.db2.gz LOEJJHKGTGDJAL-ZIAGYGMSSA-N 1 3 313.417 0.646 20 0 DCADHO CN1C[C@@H](NC(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)C(C)(C)C1 ZINC001578520614 1165040768 /nfs/dbraw/zinc/04/07/68/1165040768.db2.gz DRCOYEISVFWQQS-DYVFJYSZSA-N 1 3 309.454 0.728 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC001578528443 1165044580 /nfs/dbraw/zinc/04/45/80/1165044580.db2.gz HWPNICAAPYOLSA-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001578640107 1165073707 /nfs/dbraw/zinc/07/37/07/1165073707.db2.gz FBWSKDHJSRUPRT-DZKIICNBSA-N 1 3 307.438 0.840 20 0 DCADHO C[NH2+]C[C@H](O)CN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001578645941 1165075822 /nfs/dbraw/zinc/07/58/22/1165075822.db2.gz ADTVIGDBFPMKHA-GJZGRUSLSA-N 1 3 308.426 0.511 20 0 DCADHO Cc1c(C[C@H](CN)C[NH2+][C@H](C)Cc2cnn(C)c2)cnn1C ZINC001579530001 1165337598 /nfs/dbraw/zinc/33/75/98/1165337598.db2.gz PSDPYNYQADBMFE-TZMCWYRMSA-N 1 3 304.442 0.800 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001579827630 1165404684 /nfs/dbraw/zinc/40/46/84/1165404684.db2.gz MIDVDXJRLOWBPF-BFHYXJOUSA-N 1 3 305.426 0.938 20 0 DCADHO NC(=O)COC1CCN(Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC001580094038 1165500106 /nfs/dbraw/zinc/50/01/06/1165500106.db2.gz OAJFIMYHXJKCGY-UHFFFAOYSA-N 1 3 322.409 0.156 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001580134425 1165513925 /nfs/dbraw/zinc/51/39/25/1165513925.db2.gz OVAVYIRCTINKHT-DLBZAZTESA-N 1 3 317.433 0.614 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001580134425 1165513935 /nfs/dbraw/zinc/51/39/35/1165513935.db2.gz OVAVYIRCTINKHT-DLBZAZTESA-N 1 3 317.433 0.614 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001645847868 1172159771 /nfs/dbraw/zinc/15/97/71/1172159771.db2.gz RMHUJFUJISEWBW-CABCVRRESA-N 1 3 313.490 0.557 20 0 DCADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001645915885 1172182905 /nfs/dbraw/zinc/18/29/05/1172182905.db2.gz PAPDCTBPYRFWHT-LJISPDSOSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C[C@@H](O)C[NH2+]1 ZINC001646741368 1172502884 /nfs/dbraw/zinc/50/28/84/1172502884.db2.gz BSXPCZNDLCJMBB-JFIYKMOQSA-N 1 3 317.433 0.880 20 0 DCADHO Cc1nccn1CCNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001646968972 1172610241 /nfs/dbraw/zinc/61/02/41/1172610241.db2.gz VHXITCPUBYQJLH-CYBMUJFWSA-N 1 3 308.430 0.127 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001647600989 1172994791 /nfs/dbraw/zinc/99/47/91/1172994791.db2.gz CMQKDCLQWKJSKC-CABCVRRESA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001647600989 1172994793 /nfs/dbraw/zinc/99/47/93/1172994793.db2.gz CMQKDCLQWKJSKC-CABCVRRESA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC1CC1 ZINC001649439683 1173134965 /nfs/dbraw/zinc/13/49/65/1173134965.db2.gz GFDKCODYRNHVEV-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC1CC1 ZINC001649439683 1173134966 /nfs/dbraw/zinc/13/49/66/1173134966.db2.gz GFDKCODYRNHVEV-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](NCCc2nnc3c(=O)n(C)ccn23)CC[N@@H+]1C ZINC001649990160 1173362750 /nfs/dbraw/zinc/36/27/50/1173362750.db2.gz XHZVYYSWIFANPY-RYUDHWBXSA-N 1 3 304.398 0.043 20 0 DCADHO C[C@H]1C[C@@H](NCCc2nnc3c(=O)n(C)ccn23)CC[N@H+]1C ZINC001649990160 1173362753 /nfs/dbraw/zinc/36/27/53/1173362753.db2.gz XHZVYYSWIFANPY-RYUDHWBXSA-N 1 3 304.398 0.043 20 0 DCADHO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@@H]1CC[C@H](C2CC2)N1 ZINC001650428299 1173636541 /nfs/dbraw/zinc/63/65/41/1173636541.db2.gz BHFPTEVUKCRDRC-OLZOCXBDSA-N 1 3 318.425 0.173 20 0 DCADHO C[C@@H](O)CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001656222018 1173853954 /nfs/dbraw/zinc/85/39/54/1173853954.db2.gz AIBTXSQIPMMBPQ-KLHDSHLOSA-N 1 3 311.470 0.974 20 0 DCADHO CCN1CC[C@@H]([N@H+](CC)CCCNC(=O)CN2CCCC2)C1=O ZINC001660627657 1174022621 /nfs/dbraw/zinc/02/26/21/1174022621.db2.gz CJOXMKCELGFXIY-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN1CC[C@@H]([N@@H+](CC)CCCNC(=O)CN2CCCC2)C1=O ZINC001660627657 1174022630 /nfs/dbraw/zinc/02/26/30/1174022630.db2.gz CJOXMKCELGFXIY-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCc2ccnn2C)CC1 ZINC001664264686 1174414988 /nfs/dbraw/zinc/41/49/88/1174414988.db2.gz YTIYRSGJWFWLJH-UHFFFAOYSA-N 1 3 321.469 0.743 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCN1CCCC1=O ZINC001664394398 1174429327 /nfs/dbraw/zinc/42/93/27/1174429327.db2.gz BGWCOTZKDMPHIW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)CN1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001667694316 1174703506 /nfs/dbraw/zinc/70/35/06/1174703506.db2.gz MTLVAXVVSCLESC-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668214690 1174769077 /nfs/dbraw/zinc/76/90/77/1174769077.db2.gz NIBRZXLQXVWUOZ-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1nccn1C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668214690 1174769083 /nfs/dbraw/zinc/76/90/83/1174769083.db2.gz NIBRZXLQXVWUOZ-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CN[C@@H]2CCCN(C)C2=O)C1 ZINC001669040637 1174882054 /nfs/dbraw/zinc/88/20/54/1174882054.db2.gz YLULJLYCRXGQQP-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CN[C@@H]2CCCN(C)C2=O)C1 ZINC001669040637 1174882062 /nfs/dbraw/zinc/88/20/62/1174882062.db2.gz YLULJLYCRXGQQP-LRPXVYOUSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001672761936 1175150551 /nfs/dbraw/zinc/15/05/51/1175150551.db2.gz SKYCPZZXCDYNHV-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001673288626 1175185927 /nfs/dbraw/zinc/18/59/27/1175185927.db2.gz MJBMJJOJQGRBMC-HUUCEWRRSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001673288626 1175185934 /nfs/dbraw/zinc/18/59/34/1175185934.db2.gz MJBMJJOJQGRBMC-HUUCEWRRSA-N 1 3 315.433 0.893 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001677125503 1175531573 /nfs/dbraw/zinc/53/15/73/1175531573.db2.gz LAJOIKQTJHMXEL-HNNXBMFYSA-N 1 3 311.401 0.740 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001687096831 1176275888 /nfs/dbraw/zinc/27/58/88/1176275888.db2.gz PLPPJFFKBNHVRG-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1noc(CCC[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001690242115 1177196651 /nfs/dbraw/zinc/19/66/51/1177196651.db2.gz JJXKUSRCHMXMMB-UONOGXRCSA-N 1 3 321.425 0.595 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001690899567 1177346579 /nfs/dbraw/zinc/34/65/79/1177346579.db2.gz SGEGTVFNXYKGEW-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001690899567 1177346585 /nfs/dbraw/zinc/34/65/85/1177346585.db2.gz SGEGTVFNXYKGEW-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](CC[NH2+]CCCO)C2)C1 ZINC001698698045 1177611732 /nfs/dbraw/zinc/61/17/32/1177611732.db2.gz QPGDSMGYQHJKKY-HOTGVXAUSA-N 1 3 311.470 0.929 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCO)[C@@H](C)C2)CC1 ZINC001698890749 1177707716 /nfs/dbraw/zinc/70/77/16/1177707716.db2.gz FDMVSTUQHVXZOT-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]CCC(F)(F)F)C1CCC1 ZINC001699048505 1177798488 /nfs/dbraw/zinc/79/84/88/1177798488.db2.gz SBRBXOPJXGVKRZ-NSHDSACASA-N 1 3 311.348 0.490 20 0 DCADHO C[C@@H](CCNCc1cnns1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001699127730 1177880569 /nfs/dbraw/zinc/88/05/69/1177880569.db2.gz GOXOXWGIJJLSDL-NSHDSACASA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CC[NH2+]Cc1cncn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001699132923 1177884074 /nfs/dbraw/zinc/88/40/74/1177884074.db2.gz AVTGGKFFNAXXQC-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001699280195 1178023965 /nfs/dbraw/zinc/02/39/65/1178023965.db2.gz RRMDBCJMVSZYDR-OOPCZODUSA-N 1 3 308.426 0.011 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001699766989 1178281036 /nfs/dbraw/zinc/28/10/36/1178281036.db2.gz KKEZAPBUTTWJOH-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001700637901 1178686680 /nfs/dbraw/zinc/68/66/80/1178686680.db2.gz DHHSCZVAQFAWRD-IHRRRGAJSA-N 1 3 308.430 0.103 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001700732867 1178723991 /nfs/dbraw/zinc/72/39/91/1178723991.db2.gz ZCNAFYYLLPMDRY-AWEZNQCLSA-N 1 3 317.397 0.071 20 0 DCADHO COCCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001700846649 1178775960 /nfs/dbraw/zinc/77/59/60/1178775960.db2.gz IHQBPZCWYRSAKI-GXTWGEPZSA-N 1 3 310.398 0.194 20 0 DCADHO CC[C@H](C(=O)NCCC[N@H+](C)C[C@@H]1CCc2ncnn21)N(C)C ZINC001712983515 1180608630 /nfs/dbraw/zinc/60/86/30/1180608630.db2.gz DQCCRQSDLKHAJA-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@H](C(=O)NCCC[N@@H+](C)C[C@@H]1CCc2ncnn21)N(C)C ZINC001712983515 1180608634 /nfs/dbraw/zinc/60/86/34/1180608634.db2.gz DQCCRQSDLKHAJA-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO Cn1nccc1CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001713350805 1180780994 /nfs/dbraw/zinc/78/09/94/1180780994.db2.gz ZOJOTEQIPYYKSR-GDBMZVCRSA-N 1 3 319.453 0.495 20 0 DCADHO CCC(C)(C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001713664456 1181006614 /nfs/dbraw/zinc/00/66/14/1181006614.db2.gz UHRNPCCIKLTMHI-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCC(C)(C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001713664456 1181006617 /nfs/dbraw/zinc/00/66/17/1181006617.db2.gz UHRNPCCIKLTMHI-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001714525435 1181401539 /nfs/dbraw/zinc/40/15/39/1181401539.db2.gz XRYFRODTQPWQKQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC[NH2+]CCN1CCCC1=O)C(=O)CN(C)C1CCC1 ZINC001714714352 1181497957 /nfs/dbraw/zinc/49/79/57/1181497957.db2.gz HFVHRANRONIZJQ-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccnn1C)N(C)C ZINC001716148679 1182220978 /nfs/dbraw/zinc/22/09/78/1182220978.db2.gz PIJOMNBTLJZUCY-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716217601 1182260967 /nfs/dbraw/zinc/26/09/67/1182260967.db2.gz YMQIUVVMIYFBPA-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716217601 1182260971 /nfs/dbraw/zinc/26/09/71/1182260971.db2.gz YMQIUVVMIYFBPA-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCNCc1ccnc(OC)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716254097 1182279953 /nfs/dbraw/zinc/27/99/53/1182279953.db2.gz UNIZOLOIPUOHHB-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO CCN(CCNCc1ccnc(OC)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001716254097 1182279959 /nfs/dbraw/zinc/27/99/59/1182279959.db2.gz UNIZOLOIPUOHHB-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO CCN(CCNCC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001716253894 1182280133 /nfs/dbraw/zinc/28/01/33/1182280133.db2.gz MCCXPQKTLWIAEA-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNCC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001716253894 1182280129 /nfs/dbraw/zinc/28/01/29/1182280129.db2.gz MCCXPQKTLWIAEA-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N(CCO)CCNCCF)C1 ZINC001717060256 1182657546 /nfs/dbraw/zinc/65/75/46/1182657546.db2.gz POESNJRZJCQQNO-HNNXBMFYSA-N 1 3 321.412 0.579 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N(CCO)CCNCCF)C1 ZINC001717060256 1182657549 /nfs/dbraw/zinc/65/75/49/1182657549.db2.gz POESNJRZJCQQNO-HNNXBMFYSA-N 1 3 321.412 0.579 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](CCNCc2cnns2)C1 ZINC001717096811 1182676072 /nfs/dbraw/zinc/67/60/72/1182676072.db2.gz LCQBYXDPQQTONL-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001717385969 1182814495 /nfs/dbraw/zinc/81/44/95/1182814495.db2.gz DHHSCZVAQFAWRD-JXQTWKCFSA-N 1 3 308.430 0.103 20 0 DCADHO CC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001718001747 1183102054 /nfs/dbraw/zinc/10/20/54/1183102054.db2.gz XFIYAUOPHIUAKZ-AWEZNQCLSA-N 1 3 321.425 0.449 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)N(C)C ZINC001723056265 1184256759 /nfs/dbraw/zinc/25/67/59/1184256759.db2.gz YFGJZWHZOPMOKP-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001725693197 1184945689 /nfs/dbraw/zinc/94/56/89/1184945689.db2.gz SFVPIHMVCJIZIG-CABCVRRESA-N 1 3 315.433 0.772 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001725693197 1184945696 /nfs/dbraw/zinc/94/56/96/1184945696.db2.gz SFVPIHMVCJIZIG-CABCVRRESA-N 1 3 315.433 0.772 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)CN2CCCC2)n1 ZINC001753262305 1185189537 /nfs/dbraw/zinc/18/95/37/1185189537.db2.gz WMJPIOPKZOJZBQ-UHFFFAOYSA-N 1 3 308.430 0.039 20 0 DCADHO CN(CCNCC(=O)N1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731922269 1185576843 /nfs/dbraw/zinc/57/68/43/1185576843.db2.gz OICVFUJYAKKMEN-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCNCC(=O)N1CCCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001731922269 1185576850 /nfs/dbraw/zinc/57/68/50/1185576850.db2.gz OICVFUJYAKKMEN-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC1CCN(C(=O)CNCCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001731950307 1185601795 /nfs/dbraw/zinc/60/17/95/1185601795.db2.gz VOVSSPLCMLWTKU-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731974470 1185619405 /nfs/dbraw/zinc/61/94/05/1185619405.db2.gz DAPDYHWIXFOFSE-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001731974470 1185619406 /nfs/dbraw/zinc/61/94/06/1185619406.db2.gz DAPDYHWIXFOFSE-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCn1cccn1 ZINC001732359774 1185779882 /nfs/dbraw/zinc/77/98/82/1185779882.db2.gz FIBOYALNTWIIFT-CABCVRRESA-N 1 3 307.442 0.567 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001732729393 1185940255 /nfs/dbraw/zinc/94/02/55/1185940255.db2.gz YUDSCCAZQNMFOC-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1)C(=O)N(C)C ZINC001733127013 1186153088 /nfs/dbraw/zinc/15/30/88/1186153088.db2.gz WIBBXHRXUPDFRO-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)=CC[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001733483589 1186292439 /nfs/dbraw/zinc/29/24/39/1186292439.db2.gz UMUHQCOHJPEZOV-MRXNPFEDSA-N 1 3 309.454 0.990 20 0 DCADHO CC(C)=CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001733483589 1186292444 /nfs/dbraw/zinc/29/24/44/1186292444.db2.gz UMUHQCOHJPEZOV-MRXNPFEDSA-N 1 3 309.454 0.990 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNCc2ccsc2)C1 ZINC001733631421 1186383123 /nfs/dbraw/zinc/38/31/23/1186383123.db2.gz SVSREXRWSHJACW-AWEZNQCLSA-N 1 3 311.451 0.610 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N(CCO)CCNCc2ccsc2)C1 ZINC001733631421 1186383127 /nfs/dbraw/zinc/38/31/27/1186383127.db2.gz SVSREXRWSHJACW-AWEZNQCLSA-N 1 3 311.451 0.610 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001733652559 1186391326 /nfs/dbraw/zinc/39/13/26/1186391326.db2.gz MSDSZHHEMFGENR-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001737217416 1187288407 /nfs/dbraw/zinc/28/84/07/1187288407.db2.gz CGMKIUNXYFWBHJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001737217416 1187288410 /nfs/dbraw/zinc/28/84/10/1187288410.db2.gz CGMKIUNXYFWBHJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN1CC[NH+](C2CCN(C[C@H](O)CC3(O)CCC3)CC2)CC1 ZINC001771863246 1188357273 /nfs/dbraw/zinc/35/72/73/1188357273.db2.gz IDLDWLXGCNFHQS-MRXNPFEDSA-N 1 3 311.470 0.364 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCNC1=O ZINC001752181775 1188399758 /nfs/dbraw/zinc/39/97/58/1188399758.db2.gz KQKUNTFDJMQKEF-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CCNC1=O ZINC001752181775 1188399759 /nfs/dbraw/zinc/39/97/59/1188399759.db2.gz KQKUNTFDJMQKEF-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001754060982 1188725349 /nfs/dbraw/zinc/72/53/49/1188725349.db2.gz CUTHWRTVAWEYGU-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001754133402 1188754722 /nfs/dbraw/zinc/75/47/22/1188754722.db2.gz JEKZEZPQKINWGP-ICWYTKJFSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001754133402 1188754724 /nfs/dbraw/zinc/75/47/24/1188754724.db2.gz JEKZEZPQKINWGP-ICWYTKJFSA-N 1 3 324.469 0.600 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001754406377 1188847795 /nfs/dbraw/zinc/84/77/95/1188847795.db2.gz WYCFEFXZPFHTKC-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CC[C@@H]1CCCCO1)C(=O)Cc1c[nH]cn1 ZINC001755789318 1189214514 /nfs/dbraw/zinc/21/45/14/1189214514.db2.gz LCYZHVWRJOSTJN-GJZGRUSLSA-N 1 3 324.425 0.320 20 0 DCADHO CCCN(C)CC(=O)NCCCNC(=O)C1CC[NH+](C)CC1 ZINC001758204058 1189779577 /nfs/dbraw/zinc/77/95/77/1189779577.db2.gz NRDLMYNIFWAFPG-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001758214476 1189784327 /nfs/dbraw/zinc/78/43/27/1189784327.db2.gz GLGWIFAKHUKNAF-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001758214476 1189784332 /nfs/dbraw/zinc/78/43/32/1189784332.db2.gz GLGWIFAKHUKNAF-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO [NH3+]CCS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309902532 1190388588 /nfs/dbraw/zinc/38/85/88/1190388588.db2.gz PGUQYTLYDDTHDC-OAHLLOKOSA-N 1 3 311.451 0.777 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001772067021 1190602967 /nfs/dbraw/zinc/60/29/67/1190602967.db2.gz MJDFBQPNVRKHNB-RBSFLKMASA-N 1 3 312.458 0.378 20 0 DCADHO CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001772220781 1190633042 /nfs/dbraw/zinc/63/30/42/1190633042.db2.gz XNXBNMMIOYAAJM-ZIAGYGMSSA-N 1 3 322.478 0.905 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001772249293 1190642757 /nfs/dbraw/zinc/64/27/57/1190642757.db2.gz ANADXPWWYUVRFP-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001772262510 1190647526 /nfs/dbraw/zinc/64/75/26/1190647526.db2.gz FPFDTQMHGBDMGD-SQWLQELKSA-N 1 3 306.410 0.580 20 0 DCADHO COCC[C@@H](N)C(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001772291966 1190655311 /nfs/dbraw/zinc/65/53/11/1190655311.db2.gz PDLCVWSJMAITPO-OAHLLOKOSA-N 1 3 305.422 0.869 20 0 DCADHO CCN1CCN(CCC(=O)NC2(C3CC[NH2+]CC3)CC2)CC1 ZINC001772299108 1190656780 /nfs/dbraw/zinc/65/67/80/1190656780.db2.gz WXWXNHJDXXKQIZ-UHFFFAOYSA-N 1 3 308.470 0.662 20 0 DCADHO OC[C@@]12C[NH2+]C[C@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164409281 718854555 /nfs/dbraw/zinc/85/45/55/718854555.db2.gz UWMVBRNGWSFYGU-RDJZCZTQSA-N 1 3 302.422 0.696 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466483 751406582 /nfs/dbraw/zinc/40/65/82/751406582.db2.gz MMCCGRXMUFIWFF-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)CC[N@@H+]1C ZINC001127643561 751601712 /nfs/dbraw/zinc/60/17/12/751601712.db2.gz AMVUUUHKOJVEEV-YUELXQCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)CC[N@H+]1C ZINC001127643561 751601717 /nfs/dbraw/zinc/60/17/17/751601717.db2.gz AMVUUUHKOJVEEV-YUELXQCFSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CCCC1 ZINC001127653400 751606239 /nfs/dbraw/zinc/60/62/39/751606239.db2.gz VJXIYTVIZYOCJV-GZBFAFLISA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CCCC1 ZINC001127653400 751606244 /nfs/dbraw/zinc/60/62/44/751606244.db2.gz VJXIYTVIZYOCJV-GZBFAFLISA-N 1 3 324.469 0.480 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659744 751610305 /nfs/dbraw/zinc/61/03/05/751610305.db2.gz JBGGQKQZJQZNKS-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659744 751610309 /nfs/dbraw/zinc/61/03/09/751610309.db2.gz JBGGQKQZJQZNKS-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)C1CC1 ZINC001107438957 752048789 /nfs/dbraw/zinc/04/87/89/752048789.db2.gz NROCRQOSFIVDHS-BFYDXBDKSA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)C1CC1 ZINC001107438957 752048796 /nfs/dbraw/zinc/04/87/96/752048796.db2.gz NROCRQOSFIVDHS-BFYDXBDKSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001167232795 747031185 /nfs/dbraw/zinc/03/11/85/747031185.db2.gz QDKFQPROVQSHKY-UONOGXRCSA-N 1 3 322.453 0.093 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211257882 747186288 /nfs/dbraw/zinc/18/62/88/747186288.db2.gz WIOQHAZZRCDOIK-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001087256968 747554261 /nfs/dbraw/zinc/55/42/61/747554261.db2.gz SQVATDOUISZLEY-ZDUSSCGKSA-N 1 3 319.409 0.250 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676844 747826512 /nfs/dbraw/zinc/82/65/12/747826512.db2.gz ZXKHMVWVUCTEHK-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCOCCO ZINC001104729495 747843242 /nfs/dbraw/zinc/84/32/42/747843242.db2.gz WGFVTWGUMQOLRJ-ZIAGYGMSSA-N 1 3 324.425 0.035 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)COC ZINC001168596557 752671279 /nfs/dbraw/zinc/67/12/79/752671279.db2.gz YKFQMRZHQHLSPX-HNNXBMFYSA-N 1 3 317.474 0.602 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112529848 748318443 /nfs/dbraw/zinc/31/84/43/748318443.db2.gz RMBJMWJLCAKZHR-ZQIUZPCESA-N 1 3 322.453 0.032 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001167814721 748367837 /nfs/dbraw/zinc/36/78/37/748367837.db2.gz CFHSHPSOFRDHED-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO N=C(NCCCC[NH3+])Nc1cnc(C(=O)OCC2CC2)cn1 ZINC001167880260 748459958 /nfs/dbraw/zinc/45/99/58/748459958.db2.gz DYIBQIVGJHGUFN-UHFFFAOYSA-N 1 3 306.370 0.719 20 0 DCADHO CCCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372648 748638978 /nfs/dbraw/zinc/63/89/78/748638978.db2.gz QZSHKZSFWVWZCL-ZDUSSCGKSA-N 1 3 320.441 0.503 20 0 DCADHO CCCCNCc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372648 748638985 /nfs/dbraw/zinc/63/89/85/748638985.db2.gz QZSHKZSFWVWZCL-ZDUSSCGKSA-N 1 3 320.441 0.503 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CC ZINC001087665589 749013446 /nfs/dbraw/zinc/01/34/46/749013446.db2.gz XPNKOALCCQSXTH-HJTLVLNNSA-N 1 3 307.438 0.839 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CC ZINC001087665589 749013450 /nfs/dbraw/zinc/01/34/50/749013450.db2.gz XPNKOALCCQSXTH-HJTLVLNNSA-N 1 3 307.438 0.839 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757420 749978795 /nfs/dbraw/zinc/97/87/95/749978795.db2.gz YFNNVHDZDNLIIZ-LQCZDEPNSA-N 1 3 323.437 0.075 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757420 749978798 /nfs/dbraw/zinc/97/87/98/749978798.db2.gz YFNNVHDZDNLIIZ-LQCZDEPNSA-N 1 3 323.437 0.075 20 0 DCADHO O=C(N[C@@H]1CN(CC2CCC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299689 750332673 /nfs/dbraw/zinc/33/26/73/750332673.db2.gz NEJNNOUTXDNWQJ-HUUCEWRRSA-N 1 3 307.438 0.576 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255350 750936755 /nfs/dbraw/zinc/93/67/55/750936755.db2.gz IVPCHDIKBQIATJ-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255350 750936758 /nfs/dbraw/zinc/93/67/58/750936758.db2.gz IVPCHDIKBQIATJ-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247126 751063331 /nfs/dbraw/zinc/06/33/31/751063331.db2.gz VYJUCNCJQWSBEW-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO COCCOCC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322526 751111297 /nfs/dbraw/zinc/11/12/97/751111297.db2.gz SPWREILVBQBXRH-UHFFFAOYSA-N 1 3 315.458 0.620 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001127344392 751157251 /nfs/dbraw/zinc/15/72/51/751157251.db2.gz KYUCXNORVBLRHC-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001127344392 751157255 /nfs/dbraw/zinc/15/72/55/751157255.db2.gz KYUCXNORVBLRHC-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224775 753129527 /nfs/dbraw/zinc/12/95/27/753129527.db2.gz YVNQXCGJBDPGGP-HZPDHXFCSA-N 1 3 305.422 0.932 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001078473387 753256950 /nfs/dbraw/zinc/25/69/50/753256950.db2.gz XRWPMVMOVHVXPU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001046039148 753441757 /nfs/dbraw/zinc/44/17/57/753441757.db2.gz SYEZCJHPCYOMNF-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CC[C@H](C(=O)N1CCN([C@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001046039148 753441763 /nfs/dbraw/zinc/44/17/63/753441763.db2.gz SYEZCJHPCYOMNF-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(CC)C1CC1 ZINC001128785770 754288507 /nfs/dbraw/zinc/28/85/07/754288507.db2.gz RJIUMERHYPLFCU-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(CC)C1CC1 ZINC001128785770 754288510 /nfs/dbraw/zinc/28/85/10/754288510.db2.gz RJIUMERHYPLFCU-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204179 754557035 /nfs/dbraw/zinc/55/70/35/754557035.db2.gz BDGGZQYDPBAGQT-CABCVRRESA-N 1 3 322.457 0.762 20 0 DCADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048833069 754967479 /nfs/dbraw/zinc/96/74/79/754967479.db2.gz JMQHLRCNCYMFFB-TWMKSMIVSA-N 1 3 319.449 0.650 20 0 DCADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001048833069 754967482 /nfs/dbraw/zinc/96/74/82/754967482.db2.gz JMQHLRCNCYMFFB-TWMKSMIVSA-N 1 3 319.449 0.650 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3C2)C1 ZINC001049058937 755095790 /nfs/dbraw/zinc/09/57/90/755095790.db2.gz KUGCSYHJDWDIGO-TWMKSMIVSA-N 1 3 321.465 0.755 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]3C2)C1 ZINC001049058937 755095793 /nfs/dbraw/zinc/09/57/93/755095793.db2.gz KUGCSYHJDWDIGO-TWMKSMIVSA-N 1 3 321.465 0.755 20 0 DCADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CCN2CCO ZINC001049615481 755336958 /nfs/dbraw/zinc/33/69/58/755336958.db2.gz KPCBLEHWBTULEI-IKGGRYGDSA-N 1 3 321.465 0.918 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCn1nc(C)cc1C ZINC001168764283 755624186 /nfs/dbraw/zinc/62/41/86/755624186.db2.gz XHQLVPMGQHGWMG-UHFFFAOYSA-N 1 3 309.458 0.938 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCCCCn1cncn1 ZINC001168764337 755673036 /nfs/dbraw/zinc/67/30/36/755673036.db2.gz YZMLSGKCEKCGNU-UHFFFAOYSA-N 1 3 324.473 0.886 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(CC)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001080441861 756214534 /nfs/dbraw/zinc/21/45/34/756214534.db2.gz BNNKKTHAEQOLHH-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CCO)C3)C2)C1 ZINC001054198220 756403368 /nfs/dbraw/zinc/40/33/68/756403368.db2.gz SLSKDVKPLOUSHZ-NVXWUHKLSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CCO)C3)C2)C1 ZINC001054198220 756403372 /nfs/dbraw/zinc/40/33/72/756403372.db2.gz SLSKDVKPLOUSHZ-NVXWUHKLSA-N 1 3 309.454 0.635 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001054296319 756426180 /nfs/dbraw/zinc/42/61/80/756426180.db2.gz ZJHZQQJRJYWMGD-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO CCCN1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959755 756880006 /nfs/dbraw/zinc/88/00/06/756880006.db2.gz WSUVHQHDKRTZKS-QJNCVLDKSA-N 1 3 323.437 0.075 20 0 DCADHO CCCN1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959755 756880010 /nfs/dbraw/zinc/88/00/10/756880010.db2.gz WSUVHQHDKRTZKS-QJNCVLDKSA-N 1 3 323.437 0.075 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)n[nH]1 ZINC001082920739 757330001 /nfs/dbraw/zinc/33/00/01/757330001.db2.gz BCXYSFRHLRNYCM-RAIGVLPGSA-N 1 3 306.414 0.001 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)n[nH]1 ZINC001082920739 757330009 /nfs/dbraw/zinc/33/00/09/757330009.db2.gz BCXYSFRHLRNYCM-RAIGVLPGSA-N 1 3 306.414 0.001 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001050233015 757521777 /nfs/dbraw/zinc/52/17/77/757521777.db2.gz AAVXLHWHMFXYGG-LSDHHAIUSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001157716966 762607452 /nfs/dbraw/zinc/60/74/52/762607452.db2.gz VHZVCEFHQVPPRO-OUAUKWLOSA-N 1 3 309.332 0.364 20 0 DCADHO [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2CNCc3ccnn3C2)CC1 ZINC001157729844 762633871 /nfs/dbraw/zinc/63/38/71/762633871.db2.gz IGYWQZJGQSZPLF-IUODEOHRSA-N 1 3 309.389 0.282 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085224534 758767797 /nfs/dbraw/zinc/76/77/97/758767797.db2.gz JPRVGGXXNVZBIO-RRFJBIMHSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085224534 758767804 /nfs/dbraw/zinc/76/78/04/758767804.db2.gz JPRVGGXXNVZBIO-RRFJBIMHSA-N 1 3 324.469 0.467 20 0 DCADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCO)[C@H](C1CC1)N1CCCC1 ZINC001085284842 758798174 /nfs/dbraw/zinc/79/81/74/758798174.db2.gz OPOINZAKYMEQBC-OAGGEKHMSA-N 1 3 309.454 0.870 20 0 DCADHO CC(C)OCCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985264 759072034 /nfs/dbraw/zinc/07/20/34/759072034.db2.gz AIMLFKKHEAFAMN-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1CCC(N(CCO)CCF)CC1)C1CC1 ZINC001098391549 759212402 /nfs/dbraw/zinc/21/24/02/759212402.db2.gz FJLDHSLZPKMJIQ-OAHLLOKOSA-N 1 3 315.433 0.581 20 0 DCADHO C[NH+](C)CCOCC(=O)NCCNCc1cc(F)cc(F)c1 ZINC001147842291 767858332 /nfs/dbraw/zinc/85/83/32/767858332.db2.gz PYJROKZKQOJKTK-UHFFFAOYSA-N 1 3 315.364 0.749 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001147977675 767891148 /nfs/dbraw/zinc/89/11/48/767891148.db2.gz VHEHOFQOCBRXTD-AWEZNQCLSA-N 1 3 322.453 0.047 20 0 DCADHO CCCN(C)CC(=O)N(C)CCCN(C)C(=O)CC[NH+](C)C ZINC001067877780 760156452 /nfs/dbraw/zinc/15/64/52/760156452.db2.gz WNXVPMAFSCTJPV-UHFFFAOYSA-N 1 3 314.474 0.587 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001100080285 760169232 /nfs/dbraw/zinc/16/92/32/760169232.db2.gz GZLMENSAGQSPPX-KGLIPLIRSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001086497258 760260913 /nfs/dbraw/zinc/26/09/13/760260913.db2.gz DQRJWTFLHJKCGD-IHRRRGAJSA-N 1 3 310.442 0.219 20 0 DCADHO CC[NH+]1CCC(NCCOCCOCCOCCOC)CC1 ZINC001169230304 760607465 /nfs/dbraw/zinc/60/74/65/760607465.db2.gz XDTYHDYTXHJILN-UHFFFAOYSA-N 1 3 318.458 0.757 20 0 DCADHO NCc1cnnn1-c1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001169312186 760631058 /nfs/dbraw/zinc/63/10/58/760631058.db2.gz QQLDRDLCQVISNC-UHFFFAOYSA-N 1 3 300.366 0.208 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@H](N[C@]2(C[NH3+])CN3CCC2CC3)CO1 ZINC001169351378 760646363 /nfs/dbraw/zinc/64/63/63/760646363.db2.gz YSOGYXUFMJONQV-OFQRWUPVSA-N 1 3 311.426 0.110 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001148360421 767972947 /nfs/dbraw/zinc/97/29/47/767972947.db2.gz UIZNDFKFMNDDPI-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CCCC[NH+](C)C)C1CC1 ZINC001148364825 767973449 /nfs/dbraw/zinc/97/34/49/767973449.db2.gz CVSRACTUQIMNCL-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365704 767974420 /nfs/dbraw/zinc/97/44/20/767974420.db2.gz XHGPZNBIFQTUSX-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO CCOC(=O)N1CCC[C@@H](N2CCN(CCC[NH3+])CC2)CC1 ZINC001169655746 760780007 /nfs/dbraw/zinc/78/00/07/760780007.db2.gz AJUIJOTXZQKTCA-OAHLLOKOSA-N 1 3 312.458 0.964 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001148641981 768021970 /nfs/dbraw/zinc/02/19/70/768021970.db2.gz AWPWWMSILFESBI-AWEZNQCLSA-N 1 3 301.431 0.230 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc2nonc2c1 ZINC001148642055 768022041 /nfs/dbraw/zinc/02/20/41/768022041.db2.gz CZZCLWRJLSEUSJ-UHFFFAOYSA-N 1 3 305.382 0.770 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112548595 761690425 /nfs/dbraw/zinc/69/04/25/761690425.db2.gz HRKWIBSCDVLZSG-BBRMVZONSA-N 1 3 310.442 0.032 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071254668 761744877 /nfs/dbraw/zinc/74/48/77/761744877.db2.gz PDMDZXNASSDKPN-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001071253955 761745114 /nfs/dbraw/zinc/74/51/14/761745114.db2.gz SJNRPOTWNXYXMW-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099332690 762866214 /nfs/dbraw/zinc/86/62/14/762866214.db2.gz IKMBIJSBVALCNP-IJLUTSLNSA-N 1 3 323.359 0.299 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099332690 762866220 /nfs/dbraw/zinc/86/62/20/762866220.db2.gz IKMBIJSBVALCNP-IJLUTSLNSA-N 1 3 323.359 0.299 20 0 DCADHO CN(CC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1)C1CCC1 ZINC001129526799 762953495 /nfs/dbraw/zinc/95/34/95/762953495.db2.gz SWHRJXRIAMJDHH-UHFFFAOYSA-N 1 3 318.421 0.476 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001129849783 763024891 /nfs/dbraw/zinc/02/48/91/763024891.db2.gz USXIJKASYVVKAG-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001129849783 763024894 /nfs/dbraw/zinc/02/48/94/763024894.db2.gz USXIJKASYVVKAG-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856348 763026788 /nfs/dbraw/zinc/02/67/88/763026788.db2.gz PSNHLKYVIZSJFV-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856348 763026794 /nfs/dbraw/zinc/02/67/94/763026794.db2.gz PSNHLKYVIZSJFV-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001129840587 763029859 /nfs/dbraw/zinc/02/98/59/763029859.db2.gz HZDDQSLATMQWJE-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(N)=O ZINC001129840587 763029865 /nfs/dbraw/zinc/02/98/65/763029865.db2.gz HZDDQSLATMQWJE-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949944 763054909 /nfs/dbraw/zinc/05/49/09/763054909.db2.gz KSEILLIIOVWXJX-OLZOCXBDSA-N 1 3 300.447 0.193 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900072 763075816 /nfs/dbraw/zinc/07/58/16/763075816.db2.gz FJQVYUCGLQHJLW-RYUDHWBXSA-N 1 3 307.385 0.522 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130167520 763159132 /nfs/dbraw/zinc/15/91/32/763159132.db2.gz VXVICMMAFWMWNZ-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169221 763160483 /nfs/dbraw/zinc/16/04/83/763160483.db2.gz BGLBBLOJUHYFKS-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO Cc1cccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)c1 ZINC001099986700 763188993 /nfs/dbraw/zinc/18/89/93/763188993.db2.gz OBMFOHMCCIXADF-DLBZAZTESA-N 1 3 319.449 0.998 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(C)(C)CC ZINC001130419139 763304986 /nfs/dbraw/zinc/30/49/86/763304986.db2.gz MNZKWLPTHMISKL-UHFFFAOYSA-N 1 3 314.474 0.727 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NC(C)(C)CC ZINC001130419139 763304997 /nfs/dbraw/zinc/30/49/97/763304997.db2.gz MNZKWLPTHMISKL-UHFFFAOYSA-N 1 3 314.474 0.727 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1=O ZINC001130713271 763452883 /nfs/dbraw/zinc/45/28/83/763452883.db2.gz JCWRFOCUBIXTHF-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1=O ZINC001130713271 763452884 /nfs/dbraw/zinc/45/28/84/763452884.db2.gz JCWRFOCUBIXTHF-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(CNC2CC(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001100637593 763695821 /nfs/dbraw/zinc/69/58/21/763695821.db2.gz ZCBVYHZHVLCPFY-UHFFFAOYSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@H](Nc1ccnc(N2CCC([NH3+])CC2)n1)[C@@H]1CNCCO1 ZINC001170561603 763824491 /nfs/dbraw/zinc/82/44/91/763824491.db2.gz FSXADDLNNSTCRP-AAEUAGOBSA-N 1 3 306.414 0.193 20 0 DCADHO CC/C=C\CC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519835 763845200 /nfs/dbraw/zinc/84/52/00/763845200.db2.gz KQSNNCLOEJUANQ-VOCUFMAPSA-N 1 3 307.438 0.912 20 0 DCADHO C[C@H](Nc1ccc(O[C@H]2CCC[NH2+]C2)nn1)[C@@H]1CNCCO1 ZINC001170572308 763876597 /nfs/dbraw/zinc/87/65/97/763876597.db2.gz QMWLQBRBNXHLEB-AVGNSLFASA-N 1 3 307.398 0.396 20 0 DCADHO COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@H](C)[C@@H]2CNCCO2)cc1 ZINC001170573191 763881072 /nfs/dbraw/zinc/88/10/72/763881072.db2.gz JPVDBLKZDBKKIL-INWMFGNUSA-N 1 3 321.421 0.766 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCc2ccnn2C)C1 ZINC001101036216 763931218 /nfs/dbraw/zinc/93/12/18/763931218.db2.gz LARNLVZXSNYTNA-UHFFFAOYSA-N 1 3 321.469 0.787 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786554 764032645 /nfs/dbraw/zinc/03/26/45/764032645.db2.gz WTMZQKISLGUGDX-OAHLLOKOSA-N 1 3 305.426 0.500 20 0 DCADHO CC(C)(C[NH2+]CC(N)=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001101579491 764172484 /nfs/dbraw/zinc/17/24/84/764172484.db2.gz IXXPXGLIIDOTCQ-UHFFFAOYSA-N 1 3 321.425 0.292 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283712 764352100 /nfs/dbraw/zinc/35/21/00/764352100.db2.gz FHDFKZIMKWRMKU-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290611 764579345 /nfs/dbraw/zinc/57/93/45/764579345.db2.gz METCPYUTBFYSSP-MGPQQGTHSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CCCC1 ZINC001132994966 764782115 /nfs/dbraw/zinc/78/21/15/764782115.db2.gz HXCJUWJTHWRSHI-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NC2CCCC2)CC1 ZINC001132993488 764782605 /nfs/dbraw/zinc/78/26/05/764782605.db2.gz WNDHNXWVCHUEIA-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1nnc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]2C)[nH]1 ZINC001133092041 764822984 /nfs/dbraw/zinc/82/29/84/764822984.db2.gz XYVWEJGQNZYNMA-OCCSQVGLSA-N 1 3 322.457 0.639 20 0 DCADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCOCCO ZINC001133135031 764840559 /nfs/dbraw/zinc/84/05/59/764840559.db2.gz KNFQUQTZNJLOOR-UONOGXRCSA-N 1 3 324.425 0.035 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CC[NH+](C)C)c1ccco1 ZINC001133291435 764910167 /nfs/dbraw/zinc/91/01/67/764910167.db2.gz PPYFWPPVYVHGTK-LBPRGKRZSA-N 1 3 310.398 0.114 20 0 DCADHO CN(Cc1ccccc1)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291445 764910403 /nfs/dbraw/zinc/91/04/03/764910403.db2.gz PZKNVDUGJGSVIQ-UHFFFAOYSA-N 1 3 320.437 0.303 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395740 765048079 /nfs/dbraw/zinc/04/80/79/765048079.db2.gz JMYLATYSFHVTEH-UKRRQHHQSA-N 1 3 324.469 0.148 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001103756798 765120038 /nfs/dbraw/zinc/12/00/38/765120038.db2.gz AOEQMVVHRIMGJJ-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001103756798 765120042 /nfs/dbraw/zinc/12/00/42/765120042.db2.gz AOEQMVVHRIMGJJ-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133833589 765162672 /nfs/dbraw/zinc/16/26/72/765162672.db2.gz ABGDNVKCSYNYPM-GJZGRUSLSA-N 1 3 315.458 0.210 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC001133851017 765169883 /nfs/dbraw/zinc/16/98/83/765169883.db2.gz UXVAOZDRHLCQFA-CJNGLKHVSA-N 1 3 323.412 0.907 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC001133845457 765178255 /nfs/dbraw/zinc/17/82/55/765178255.db2.gz GIBNDNPWXLJTJK-NVXWUHKLSA-N 1 3 319.449 0.638 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCCCCn2cncn2)C1 ZINC001133850160 765183099 /nfs/dbraw/zinc/18/30/99/765183099.db2.gz KLBASQOZQALBTQ-OAHLLOKOSA-N 1 3 322.457 0.496 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC001133866977 765192690 /nfs/dbraw/zinc/19/26/90/765192690.db2.gz QIASQGOHJQMCJS-OCCSQVGLSA-N 1 3 306.410 0.494 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC001133866977 765192693 /nfs/dbraw/zinc/19/26/93/765192693.db2.gz QIASQGOHJQMCJS-OCCSQVGLSA-N 1 3 306.410 0.494 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)c1cccc(OC)c1)N(C)C ZINC001133965799 765258749 /nfs/dbraw/zinc/25/87/49/765258749.db2.gz KFVDWFWLIVATPW-JKSUJKDBSA-N 1 3 323.437 0.775 20 0 DCADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C(N)C(F)(F)F)C1 ZINC001159134726 765458979 /nfs/dbraw/zinc/45/89/79/765458979.db2.gz OWRQPPONGMQBHW-KOLCDFICSA-N 1 3 319.331 0.293 20 0 DCADHO CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCCC1)c1nccn12 ZINC001092412318 768301941 /nfs/dbraw/zinc/30/19/41/768301941.db2.gz CMPWHXOCBZBWSA-CQSZACIVSA-N 1 3 317.437 0.961 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583358 765581331 /nfs/dbraw/zinc/58/13/31/765581331.db2.gz JPRCMQPQBHZIQQ-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001115161898 765615684 /nfs/dbraw/zinc/61/56/84/765615684.db2.gz OZTIHFPHRFRLFH-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC001115161898 765615688 /nfs/dbraw/zinc/61/56/88/765615688.db2.gz OZTIHFPHRFRLFH-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001134767004 765662727 /nfs/dbraw/zinc/66/27/27/765662727.db2.gz PKQUQRIVSJNEEX-AWEZNQCLSA-N 1 3 308.430 0.247 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC ZINC001134774063 765666318 /nfs/dbraw/zinc/66/63/18/765666318.db2.gz UMOOYWXORMLQQJ-VXGBXAGGSA-N 1 3 300.447 0.336 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001135512954 765966132 /nfs/dbraw/zinc/96/61/32/765966132.db2.gz CDAWDDQJIWBIJK-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001135706343 766062015 /nfs/dbraw/zinc/06/20/15/766062015.db2.gz SSKDABXTYJPBSQ-KBPBESRZSA-N 1 3 303.447 0.210 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001135705713 766062724 /nfs/dbraw/zinc/06/27/24/766062724.db2.gz IEXLRICTXULZOD-UONOGXRCSA-N 1 3 310.446 0.493 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001117980278 766184540 /nfs/dbraw/zinc/18/45/40/766184540.db2.gz GNJQHTCUSYZAGD-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001135977586 766197786 /nfs/dbraw/zinc/19/77/86/766197786.db2.gz WDOHXZKYKAJDTJ-OLZOCXBDSA-N 1 3 321.487 0.246 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001135976280 766197892 /nfs/dbraw/zinc/19/78/92/766197892.db2.gz IMKRQRXUBRTXFO-STQMWFEESA-N 1 3 310.446 0.530 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCCC23CCC3)C1 ZINC001119347476 766639978 /nfs/dbraw/zinc/63/99/78/766639978.db2.gz MFQVCVJVQKBQFS-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C[C@@H](C)CC(=O)OC ZINC001144390115 766878317 /nfs/dbraw/zinc/87/83/17/766878317.db2.gz ZXBYHWDPDJYRTF-LLVKDONJSA-N 1 3 300.403 0.640 20 0 DCADHO CCN1C(=O)CN(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001120255645 766949668 /nfs/dbraw/zinc/94/96/68/766949668.db2.gz LLYCCRGUCQUMIE-BFHYXJOUSA-N 1 3 308.426 0.890 20 0 DCADHO COC(=O)CN(Cc1ccccc1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160657710 766991064 /nfs/dbraw/zinc/99/10/64/766991064.db2.gz KNNBQBNBRIYEAF-AWEZNQCLSA-N 1 3 307.394 0.645 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120450383 767021033 /nfs/dbraw/zinc/02/10/33/767021033.db2.gz VPEFISVJASMJJE-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120450383 767021044 /nfs/dbraw/zinc/02/10/44/767021044.db2.gz VPEFISVJASMJJE-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171247228 767238592 /nfs/dbraw/zinc/23/85/92/767238592.db2.gz JUIODCKLQMJVSJ-IUODEOHRSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001146356269 767440879 /nfs/dbraw/zinc/44/08/79/767440879.db2.gz SLZRKELKDSIHKA-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H]2CCN(C)C2=O)CC1 ZINC001146392396 767446080 /nfs/dbraw/zinc/44/60/80/767446080.db2.gz SPBMGFAPCDGVQG-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]([NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1)C(N)=O ZINC001121245073 767479812 /nfs/dbraw/zinc/47/98/12/767479812.db2.gz DCSVIFQBUUVJHS-ZZWWIDRASA-N 1 3 322.453 0.217 20 0 DCADHO CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1 ZINC001121302321 767503920 /nfs/dbraw/zinc/50/39/20/767503920.db2.gz XQUJTCQBDZYGKT-OPFKTAGGSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCC(C)C ZINC001146711401 767509435 /nfs/dbraw/zinc/50/94/35/767509435.db2.gz RGISUCDDMGSPHB-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCC(C)C ZINC001146711401 767509437 /nfs/dbraw/zinc/50/94/37/767509437.db2.gz RGISUCDDMGSPHB-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001121773733 767634594 /nfs/dbraw/zinc/63/45/94/767634594.db2.gz WRMSGWPFQHHYBL-VZHDMLGISA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](NCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)N(C)C ZINC001147338925 767713342 /nfs/dbraw/zinc/71/33/42/767713342.db2.gz DJHSVMAQHCQFKC-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@H](CC)C(N)=O ZINC001147358956 767724092 /nfs/dbraw/zinc/72/40/92/767724092.db2.gz KBQARBRMFHGGLB-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCN[C@H](CC)C(N)=O ZINC001147358956 767724097 /nfs/dbraw/zinc/72/40/97/767724097.db2.gz KBQARBRMFHGGLB-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO Cc1cc(CN)oc1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001122195300 767738684 /nfs/dbraw/zinc/73/86/84/767738684.db2.gz PQKIUBWASQZLNC-UHFFFAOYSA-N 1 3 308.426 0.852 20 0 DCADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001122535708 767827641 /nfs/dbraw/zinc/82/76/41/767827641.db2.gz FYPAUERLZHAFEF-RWMBFGLXSA-N 1 3 317.380 0.289 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001138769416 768435807 /nfs/dbraw/zinc/43/58/07/768435807.db2.gz PDBZZJXIXNGFKT-NVXWUHKLSA-N 1 3 308.422 0.802 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001203041539 768532734 /nfs/dbraw/zinc/53/27/34/768532734.db2.gz HESGTNUXMIGNNX-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(CNCC4CC4)nn3)C2)C1 ZINC001093343661 768546848 /nfs/dbraw/zinc/54/68/48/768546848.db2.gz KNQJNGVUKYKYBS-ZDUSSCGKSA-N 1 3 318.425 0.113 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC(n3cc(CNCC4CC4)nn3)C2)C1 ZINC001093343661 768546853 /nfs/dbraw/zinc/54/68/53/768546853.db2.gz KNQJNGVUKYKYBS-ZDUSSCGKSA-N 1 3 318.425 0.113 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1cnns1 ZINC001093672979 768686760 /nfs/dbraw/zinc/68/67/60/768686760.db2.gz HHMNCMVIEJFDQY-YRGRVCCFSA-N 1 3 323.466 0.816 20 0 DCADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110147962 768689870 /nfs/dbraw/zinc/68/98/70/768689870.db2.gz AZWDQSKZHFSQTK-WCVJEAGWSA-N 1 3 309.454 0.965 20 0 DCADHO CN(CC(=O)NC[C@H]1C[N@H+](CCCO)CCCO1)C1CCC1 ZINC001149854966 768884749 /nfs/dbraw/zinc/88/47/49/768884749.db2.gz RYOBVNHFMXTQFN-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1)C1CCC1 ZINC001149854966 768884763 /nfs/dbraw/zinc/88/47/63/768884763.db2.gz RYOBVNHFMXTQFN-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)OC)CCCO1 ZINC001150480254 769106173 /nfs/dbraw/zinc/10/61/73/769106173.db2.gz JHLABTQZNJVQRA-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)OC)CCCO1 ZINC001150480254 769106176 /nfs/dbraw/zinc/10/61/76/769106176.db2.gz JHLABTQZNJVQRA-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CCN1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150507861 769113287 /nfs/dbraw/zinc/11/32/87/769113287.db2.gz LUWKTGCVTQJAQB-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](C)OC)CCCO1 ZINC001150546833 769120921 /nfs/dbraw/zinc/12/09/21/769120921.db2.gz JWHDZAXHCNZCIE-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](C)OC)CCCO1 ZINC001150546833 769120925 /nfs/dbraw/zinc/12/09/25/769120925.db2.gz JWHDZAXHCNZCIE-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCCC1 ZINC001151073061 769251966 /nfs/dbraw/zinc/25/19/66/769251966.db2.gz FMZDQDGYHYEHQN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CCCCCC1 ZINC001151073061 769251972 /nfs/dbraw/zinc/25/19/72/769251972.db2.gz FMZDQDGYHYEHQN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO NC(=O)c1cccc(C[NH2+]CCNC(=O)CN2CCCC2)c1 ZINC001151097190 769260391 /nfs/dbraw/zinc/26/03/91/769260391.db2.gz KQIDXQWSYHKJDC-UHFFFAOYSA-N 1 3 304.394 0.087 20 0 DCADHO COCCC1(NC(=O)CCC[NH+](C)C)CCN(CCO)CC1 ZINC001151274392 769303709 /nfs/dbraw/zinc/30/37/09/769303709.db2.gz FLRDGQBLMNUNIP-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cnc(OC)nc1C ZINC001171756957 769366217 /nfs/dbraw/zinc/36/62/17/769366217.db2.gz CKOOUQLIVYPUKL-UHFFFAOYSA-N 1 3 323.441 0.731 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCNC(=O)NC(C)C ZINC001171762599 769369980 /nfs/dbraw/zinc/36/99/80/769369980.db2.gz HQBLCYZGFCCEBK-UHFFFAOYSA-N 1 3 315.462 0.132 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(CC)CC ZINC001171770374 769373302 /nfs/dbraw/zinc/37/33/02/769373302.db2.gz PAFNJAYAANQZCX-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO c1cc(-c2noc(C3=NO[C@H]4C[NH2+]C[C@H]34)n2)nc2c1CNCC2 ZINC001212628547 769386591 /nfs/dbraw/zinc/38/65/91/769386591.db2.gz CVHCFGYWQFVHBK-CABZTGNLSA-N 1 3 312.333 0.100 20 0 DCADHO COc1cc(CNCC2CCN(C(=O)CC[NH+](C)C)CC2)on1 ZINC001206152218 769403715 /nfs/dbraw/zinc/40/37/15/769403715.db2.gz HDTZTNOWDKQTRN-UHFFFAOYSA-N 1 3 324.425 0.963 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001152136540 769487915 /nfs/dbraw/zinc/48/79/15/769487915.db2.gz DPBMBVCFXOABJF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152146385 769490082 /nfs/dbraw/zinc/49/00/82/769490082.db2.gz JEVYUOFAZWFOAH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)NCCNCC(=O)NC2CC2)c1 ZINC001152236612 769512300 /nfs/dbraw/zinc/51/23/00/769512300.db2.gz DIDGRIOXHLHXTG-UHFFFAOYSA-N 1 3 318.421 0.346 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)c1cccc(CN(C)C)c1)C(=O)N(C)C ZINC001152245415 769514534 /nfs/dbraw/zinc/51/45/34/769514534.db2.gz GFGFXAKCAKFQJD-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001152473035 769571416 /nfs/dbraw/zinc/57/14/16/769571416.db2.gz UWPBVUMJDOWWNW-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CO[C@H](C)CN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195413 769637669 /nfs/dbraw/zinc/63/76/69/769637669.db2.gz ZXJXMQYNMZEIAW-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c[nH]c2ncncc12 ZINC001152911924 769673170 /nfs/dbraw/zinc/67/31/70/769673170.db2.gz MSURJDGQMDXZBL-UHFFFAOYSA-N 1 3 303.370 0.587 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H]1C(=O)OC ZINC001173574629 769675471 /nfs/dbraw/zinc/67/54/71/769675471.db2.gz VVCMTKCYLQUHGK-YHQUGGNUSA-N 1 3 312.410 0.657 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H]1C(=O)OC ZINC001173574629 769675475 /nfs/dbraw/zinc/67/54/75/769675475.db2.gz VVCMTKCYLQUHGK-YHQUGGNUSA-N 1 3 312.410 0.657 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001174681684 769777538 /nfs/dbraw/zinc/77/75/38/769777538.db2.gz ABTBHELFRWIGFC-SNVBAGLBSA-N 1 3 322.331 0.670 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)NCCNCC(=O)NCC1CC1 ZINC001153309327 769779673 /nfs/dbraw/zinc/77/96/73/769779673.db2.gz MJYGELFBQYPBIS-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO Cn1cccc1C(=O)N[C@H]1CN(CCCC[NH3+])[C@@H]2CCCO[C@@H]21 ZINC001235531723 769880932 /nfs/dbraw/zinc/88/09/32/769880932.db2.gz UJBAKVWKMXXCNO-SQWLQELKSA-N 1 3 320.437 0.726 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CCOCCO ZINC001175766933 769959387 /nfs/dbraw/zinc/95/93/87/769959387.db2.gz CEDXFXQMQPTDQA-OAHLLOKOSA-N 1 3 317.474 0.602 20 0 DCADHO CN(C)C(=O)c1cccnc1N1CCN(CCCC[NH3+])CC1 ZINC001235976189 769964372 /nfs/dbraw/zinc/96/43/72/769964372.db2.gz SQVVSUMZVVHVHT-UHFFFAOYSA-N 1 3 305.426 0.644 20 0 DCADHO CCOC(=O)[C@]12CN(CCCOCOC)C[C@H]1C[NH2+]CC2 ZINC001236039155 769971141 /nfs/dbraw/zinc/97/11/41/769971141.db2.gz XIBRZRNFHAOEGS-UKRRQHHQSA-N 1 3 300.399 0.472 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cnnn1C ZINC001176286492 770061584 /nfs/dbraw/zinc/06/15/84/770061584.db2.gz WOTSHXJDJZLYOI-CQSZACIVSA-N 1 3 324.473 0.922 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)C(=O)NC ZINC001176284677 770062019 /nfs/dbraw/zinc/06/20/19/770062019.db2.gz IVQPJCPRIVJNGK-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](O)COC ZINC001176284749 770062185 /nfs/dbraw/zinc/06/21/85/770062185.db2.gz JSHPDIVDHGUXNA-LSDHHAIUSA-N 1 3 317.474 0.600 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(C(N)=O)c1 ZINC001237695400 770074661 /nfs/dbraw/zinc/07/46/61/770074661.db2.gz ROMWEXOXRRXXOO-DLBZAZTESA-N 1 3 316.449 0.996 20 0 DCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cccc(C(N)=O)c1 ZINC001237695400 770074669 /nfs/dbraw/zinc/07/46/69/770074669.db2.gz ROMWEXOXRRXXOO-DLBZAZTESA-N 1 3 316.449 0.996 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350511 770091582 /nfs/dbraw/zinc/09/15/82/770091582.db2.gz FZZYAMVJJUYVRD-WCQYABFASA-N 1 3 323.441 0.660 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350512 770091838 /nfs/dbraw/zinc/09/18/38/770091838.db2.gz FZZYAMVJJUYVRD-YPMHNXCESA-N 1 3 323.441 0.660 20 0 DCADHO COC(=O)[C@H](CC(C)C)NC(=O)NCCC[NH2+]CCCN ZINC001239253337 770202716 /nfs/dbraw/zinc/20/27/16/770202716.db2.gz YLKQVTSTBWXFLY-LBPRGKRZSA-N 1 3 302.419 0.202 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCn1cc(Cl)cn1 ZINC001176975770 770266058 /nfs/dbraw/zinc/26/60/58/770266058.db2.gz XUCKMTGYFZJBDN-UHFFFAOYSA-N 1 3 315.849 0.973 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cncn1C ZINC001176986248 770271711 /nfs/dbraw/zinc/27/17/11/770271711.db2.gz IUFAFXWBFWDZEK-OAHLLOKOSA-N 1 3 307.442 0.890 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001176986729 770274009 /nfs/dbraw/zinc/27/40/09/770274009.db2.gz UDOZFXGUFCLYQB-MRXNPFEDSA-N 1 3 321.469 0.933 20 0 DCADHO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155822250 770629254 /nfs/dbraw/zinc/62/92/54/770629254.db2.gz LWCHVVBCDVQDFW-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001155821989 770629819 /nfs/dbraw/zinc/62/98/19/770629819.db2.gz FZVMHNFMRPMYBM-GXTWGEPZSA-N 1 3 310.442 0.091 20 0 DCADHO COc1coc(C[NH2+]CCCNC(=O)[C@@H]2CCCN2C)cc1=O ZINC001155822212 770630254 /nfs/dbraw/zinc/63/02/54/770630254.db2.gz LEISAFVROJRUJE-ZDUSSCGKSA-N 1 3 323.393 0.339 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374334 770799015 /nfs/dbraw/zinc/79/90/15/770799015.db2.gz OPYGYCJMTZJCHQ-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374334 770799028 /nfs/dbraw/zinc/79/90/28/770799028.db2.gz OPYGYCJMTZJCHQ-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)CCC[NH+](C)C ZINC001179435479 771004058 /nfs/dbraw/zinc/00/40/58/771004058.db2.gz RHNLPORWQWEULC-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)[C@@H]1C ZINC001179744562 771010120 /nfs/dbraw/zinc/01/01/20/771010120.db2.gz WERNMEXTZTWDTO-IPYPFGDCSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+][C@H](C)C(=O)NC ZINC001179850381 771024063 /nfs/dbraw/zinc/02/40/63/771024063.db2.gz CANOROVDJRZSML-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+][C@@H](C)C(N)=O ZINC001179851188 771024269 /nfs/dbraw/zinc/02/42/69/771024269.db2.gz XOKJJWPRQGKVEV-ZDUSSCGKSA-N 1 3 300.447 0.468 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925861 771035043 /nfs/dbraw/zinc/03/50/43/771035043.db2.gz VOFVYOFLVZJMOH-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925861 771035050 /nfs/dbraw/zinc/03/50/50/771035050.db2.gz VOFVYOFLVZJMOH-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C ZINC001179983305 771043499 /nfs/dbraw/zinc/04/34/99/771043499.db2.gz VDTSHHOWMJMAOU-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179968095 771048707 /nfs/dbraw/zinc/04/87/07/771048707.db2.gz MEWHBQALTMVOCN-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H]([NH2+]CCCCCCNC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001180158834 771072411 /nfs/dbraw/zinc/07/24/11/771072411.db2.gz RTTPTSWWBYYDJA-CYBMUJFWSA-N 1 3 323.441 0.791 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCCCCC2)C1 ZINC001151066564 771359601 /nfs/dbraw/zinc/35/96/01/771359601.db2.gz WKPYBCGQYZJYAJ-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCCCCC2)C1 ZINC001151066564 771359604 /nfs/dbraw/zinc/35/96/04/771359604.db2.gz WKPYBCGQYZJYAJ-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182472575 771497363 /nfs/dbraw/zinc/49/73/63/771497363.db2.gz FEZVYDGQXKDLQV-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182472575 771497365 /nfs/dbraw/zinc/49/73/65/771497365.db2.gz FEZVYDGQXKDLQV-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113740 771538774 /nfs/dbraw/zinc/53/87/74/771538774.db2.gz MIBPBMYUEGNILP-ZIAGYGMSSA-N 1 3 303.447 0.161 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157113740 771538775 /nfs/dbraw/zinc/53/87/75/771538775.db2.gz MIBPBMYUEGNILP-ZIAGYGMSSA-N 1 3 303.447 0.161 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+]CC(=O)N(C)C ZINC001182740396 771546015 /nfs/dbraw/zinc/54/60/15/771546015.db2.gz BWUOLQWICWOZMG-MLGOLLRUSA-N 1 3 321.425 0.115 20 0 DCADHO CC[C@H]([NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001182740887 771546162 /nfs/dbraw/zinc/54/61/62/771546162.db2.gz GXMWBXHQNQLIFM-PVXIVEMSSA-N 1 3 321.425 0.290 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741962 771547470 /nfs/dbraw/zinc/54/74/70/771547470.db2.gz YYIGZPGYPCMTIW-XNRPHZJLSA-N 1 3 324.425 0.034 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183230144 771622477 /nfs/dbraw/zinc/62/24/77/771622477.db2.gz UKPHMUQLECFXEP-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001183289480 771632568 /nfs/dbraw/zinc/63/25/68/771632568.db2.gz ZPBBAVFZAVBSEA-UKRRQHHQSA-N 1 3 324.469 0.705 20 0 DCADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001157579872 771636300 /nfs/dbraw/zinc/63/63/00/771636300.db2.gz RKCLWJIBNQJYDA-WMZOPIPTSA-N 1 3 320.481 0.662 20 0 DCADHO CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157679752 771653198 /nfs/dbraw/zinc/65/31/98/771653198.db2.gz ZIXFYEFAMNJWRT-INIZCTEOSA-N 1 3 319.405 0.743 20 0 DCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001157715309 771657742 /nfs/dbraw/zinc/65/77/42/771657742.db2.gz DMKRFXKMAXYTDF-MXWKQRLJSA-N 1 3 309.332 0.364 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H]2CCNC2=O)C1 ZINC001183510333 771657872 /nfs/dbraw/zinc/65/78/72/771657872.db2.gz WFFOFYRSCCWNMA-JKIFEVAISA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157752964 771663914 /nfs/dbraw/zinc/66/39/14/771663914.db2.gz BHLNQOZOJYFVJU-CORIIIEPSA-N 1 3 316.421 0.156 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183646973 771675020 /nfs/dbraw/zinc/67/50/20/771675020.db2.gz ADYQKUJSZXPXKI-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1 ZINC001183759188 771696452 /nfs/dbraw/zinc/69/64/52/771696452.db2.gz GJQHKJFEXWNOPT-CQSZACIVSA-N 1 3 315.458 0.570 20 0 DCADHO CC(C)(C(=O)NCCC[NH2+][C@H]1CCNC1=O)N1CCCCC1 ZINC001158074284 771721939 /nfs/dbraw/zinc/72/19/39/771721939.db2.gz YBJWWFSMGMQQEW-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001158079462 771722838 /nfs/dbraw/zinc/72/28/38/771722838.db2.gz BBEUPNPBCQKSBX-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CN[C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H](C)OC(C)(C)C ZINC001158168333 771733163 /nfs/dbraw/zinc/73/31/63/771733163.db2.gz UUQDOKZOBCMCEJ-SYQHCUMBSA-N 1 3 313.442 0.225 20 0 DCADHO N[C@@]1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CCC[NH2+]C1 ZINC001158337449 771761911 /nfs/dbraw/zinc/76/19/11/771761911.db2.gz VOTGPPBDVQUALN-UXLLHSPISA-N 1 3 300.406 0.165 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421951 771771907 /nfs/dbraw/zinc/77/19/07/771771907.db2.gz GWWZQPVZKWMTJT-HRCADAONSA-N 1 3 303.406 0.754 20 0 DCADHO CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184423186 771787205 /nfs/dbraw/zinc/78/72/05/771787205.db2.gz BCGITTNVMNDWQY-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184578671 771801286 /nfs/dbraw/zinc/80/12/86/771801286.db2.gz VOUVMZDBOYAZKN-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213750 771879940 /nfs/dbraw/zinc/87/99/40/771879940.db2.gz LZEDPYCJOJLSJR-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](Nc1ccc(OC2CC[NH2+]CC2)nn1)[C@@H]1CNCCO1 ZINC001159502760 771920831 /nfs/dbraw/zinc/92/08/31/771920831.db2.gz OMXXXMWAIVWSHY-AAEUAGOBSA-N 1 3 307.398 0.396 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185660072 771941414 /nfs/dbraw/zinc/94/14/14/771941414.db2.gz XFBZSDJLTXDJFG-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185660072 771941416 /nfs/dbraw/zinc/94/14/16/771941416.db2.gz XFBZSDJLTXDJFG-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659614 771941516 /nfs/dbraw/zinc/94/15/16/771941516.db2.gz LZHIZBNLHHOLTE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659614 771941518 /nfs/dbraw/zinc/94/15/18/771941518.db2.gz LZHIZBNLHHOLTE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@H]2C[C@]23CCOC3)CCC1 ZINC001159861842 771969804 /nfs/dbraw/zinc/96/98/04/771969804.db2.gz SCFKTZUIUOOQIX-ZBFHGGJFSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCCCC1)C1CC1 ZINC001159917158 771977610 /nfs/dbraw/zinc/97/76/10/771977610.db2.gz WCRXFZXEYJJDOR-INIZCTEOSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(=O)NC1CC1 ZINC001159931830 771980138 /nfs/dbraw/zinc/98/01/38/771980138.db2.gz JNSPYASKEMELOT-FZMZJTMJSA-N 1 3 310.442 0.090 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001159933064 771981112 /nfs/dbraw/zinc/98/11/12/771981112.db2.gz YSLXUYBWKOBKFT-HNNXBMFYSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1nncc1CNCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274526 772017680 /nfs/dbraw/zinc/01/76/80/772017680.db2.gz VESRKAZBAOWYJM-CQSZACIVSA-N 1 3 322.457 0.768 20 0 DCADHO CCn1nncc1CNCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160274526 772017683 /nfs/dbraw/zinc/01/76/83/772017683.db2.gz VESRKAZBAOWYJM-CQSZACIVSA-N 1 3 322.457 0.768 20 0 DCADHO COc1cncc(CNCCCNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001160427785 772036442 /nfs/dbraw/zinc/03/64/42/772036442.db2.gz TZGBKLJDUHCLCO-HNNXBMFYSA-N 1 3 323.441 0.667 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001186451023 772042243 /nfs/dbraw/zinc/04/22/43/772042243.db2.gz BACJACUUJTYLHA-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC001160456088 772042612 /nfs/dbraw/zinc/04/26/12/772042612.db2.gz AXHLLHSAJCIJQA-ZDUSSCGKSA-N 1 3 313.442 0.764 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001186487084 772045389 /nfs/dbraw/zinc/04/53/89/772045389.db2.gz FOOJQDAKJGFMER-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO CN1CCN(c2ccncc2C(=O)N2CCC([NH3+])CC2)CC1 ZINC001160519219 772057375 /nfs/dbraw/zinc/05/73/75/772057375.db2.gz LDTFRXIYRZWISD-UHFFFAOYSA-N 1 3 303.410 0.397 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H](n2cncn2)C1 ZINC001160635643 772081424 /nfs/dbraw/zinc/08/14/24/772081424.db2.gz BLWOTPIVRRQKPS-UONOGXRCSA-N 1 3 318.425 0.316 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H](n2cncn2)C1 ZINC001160635643 772081427 /nfs/dbraw/zinc/08/14/27/772081427.db2.gz BLWOTPIVRRQKPS-UONOGXRCSA-N 1 3 318.425 0.316 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)CC2CC2)C1 ZINC001186809191 772091555 /nfs/dbraw/zinc/09/15/55/772091555.db2.gz XOYFNMJRIVLSCM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)CC2CC2)C1 ZINC001186809191 772091560 /nfs/dbraw/zinc/09/15/60/772091560.db2.gz XOYFNMJRIVLSCM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CCN2CCC1CC2 ZINC001160726147 772103557 /nfs/dbraw/zinc/10/35/57/772103557.db2.gz JPYARHKYHDDSTG-GDBMZVCRSA-N 1 3 306.454 0.367 20 0 DCADHO CCOC(=O)CN(Cc1ccsc1)C(=O)[C@H](N)CCC[NH3+] ZINC001160768940 772109507 /nfs/dbraw/zinc/10/95/07/772109507.db2.gz GRPGSBSLRBZAPU-GFCCVEGCSA-N 1 3 313.423 0.706 20 0 DCADHO CN(C(=O)[C@H]1C[NH2+]CC12CNC2)[C@H](C1CCC1)C(F)(F)F ZINC001160772804 772110185 /nfs/dbraw/zinc/11/01/85/772110185.db2.gz BAIALILMONNSOT-GHMZBOCLSA-N 1 3 305.344 0.985 20 0 DCADHO O=C([C@H]1CNC[C@@H](F)C1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780423 772110768 /nfs/dbraw/zinc/11/07/68/772110768.db2.gz RCDVGGXVCVBFQO-KBEGMRNHSA-N 1 3 317.408 0.934 20 0 DCADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CC3CCC3)C[C@H]1C[NH2+]CC2 ZINC001160812868 772114537 /nfs/dbraw/zinc/11/45/37/772114537.db2.gz UJUVFDIVCGPNOI-JKIFEVAISA-N 1 3 323.437 0.505 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(C)C)N(C)C ZINC001160882864 772132396 /nfs/dbraw/zinc/13/23/96/772132396.db2.gz ABNRWQAOOIDDQP-ZIAGYGMSSA-N 1 3 314.474 0.583 20 0 DCADHO O=C(c1cncc2c1CCNC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161010381 772149395 /nfs/dbraw/zinc/14/93/95/772149395.db2.gz HMMMQHMTVVYDBK-HNNXBMFYSA-N 1 3 316.405 0.056 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@@H](C)CC)C1 ZINC001187290874 772161652 /nfs/dbraw/zinc/16/16/52/772161652.db2.gz ANZASSFMBDKWSD-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001187321890 772164946 /nfs/dbraw/zinc/16/49/46/772164946.db2.gz GUICXFKPYSEVDN-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](O)C[N@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161207467 772184552 /nfs/dbraw/zinc/18/45/52/772184552.db2.gz ULVPHDBPXUXGBT-CABCVRRESA-N 1 3 309.454 0.990 20 0 DCADHO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001161207467 772184555 /nfs/dbraw/zinc/18/45/55/772184555.db2.gz ULVPHDBPXUXGBT-CABCVRRESA-N 1 3 309.454 0.990 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCCN(c2cccnc2)CC1 ZINC001161239186 772188745 /nfs/dbraw/zinc/18/87/45/772188745.db2.gz HTJDPVPEQJBRNH-AWEZNQCLSA-N 1 3 323.466 0.140 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246812 772190273 /nfs/dbraw/zinc/19/02/73/772190273.db2.gz PTBZKGBFGHMGKN-HZMBPMFUSA-N 1 3 303.378 0.206 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001161244698 772190300 /nfs/dbraw/zinc/19/03/00/772190300.db2.gz BJNRTVKSUWEGBR-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001161271248 772194802 /nfs/dbraw/zinc/19/48/02/772194802.db2.gz ZBJUOIZQZBARCH-CABCVRRESA-N 1 3 312.458 0.609 20 0 DCADHO O=C([C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2)N1CCNC1 ZINC001161418909 772221098 /nfs/dbraw/zinc/22/10/98/772221098.db2.gz UWIYLCWXGQQEKB-HNNXBMFYSA-N 1 3 300.406 0.097 20 0 DCADHO CCCCOC(=O)[C@H]1CCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161461917 772227552 /nfs/dbraw/zinc/22/75/52/772227552.db2.gz VBMBIRVFLLBRIO-RYUDHWBXSA-N 1 3 317.455 0.197 20 0 DCADHO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001161469421 772228647 /nfs/dbraw/zinc/22/86/47/772228647.db2.gz YCHBSNAUVHBQTP-ZDUSSCGKSA-N 1 3 317.389 0.355 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC1CCCC1)CC2 ZINC001161476834 772230244 /nfs/dbraw/zinc/23/02/44/772230244.db2.gz FCSPZHNFBHWPIR-VBQJREDUSA-N 1 3 323.437 0.648 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187834797 772231438 /nfs/dbraw/zinc/23/14/38/772231438.db2.gz IDYIMGBAHHEPJP-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NCCC[NH2+]CCC1CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872299 772427182 /nfs/dbraw/zinc/42/71/82/772427182.db2.gz NHLIJHCMWJMXDG-CKDBGZEDSA-N 1 3 307.438 0.746 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162916731 772431033 /nfs/dbraw/zinc/43/10/33/772431033.db2.gz DCYHCYDPWNDGRV-CMPLNLGQSA-N 1 3 307.398 0.663 20 0 DCADHO COC(=O)c1ccc([C@@H]([NH3+])CNc2cc(CN)ncn2)cc1 ZINC001163462447 772529014 /nfs/dbraw/zinc/52/90/14/772529014.db2.gz QBZZLNJCHRPPII-ZDUSSCGKSA-N 1 3 301.350 0.834 20 0 DCADHO COC(=O)[C@@H](C[NH3+])Cc1ccc(-n2nc(CN)cc2C)cc1 ZINC001163985993 772601941 /nfs/dbraw/zinc/60/19/41/772601941.db2.gz NDYFRZGBDZECLC-CYBMUJFWSA-N 1 3 302.378 0.930 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001190213018 772608551 /nfs/dbraw/zinc/60/85/51/772608551.db2.gz ROQGCTIOJFLWQP-JKSUJKDBSA-N 1 3 309.454 0.778 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)CCOC)C1 ZINC001190443939 772625942 /nfs/dbraw/zinc/62/59/42/772625942.db2.gz LPPBJFAVGZRJIO-UONOGXRCSA-N 1 3 303.422 0.845 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)CCOC)C1 ZINC001190443939 772625944 /nfs/dbraw/zinc/62/59/44/772625944.db2.gz LPPBJFAVGZRJIO-UONOGXRCSA-N 1 3 303.422 0.845 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc(CN2CCCC2)cn1 ZINC001165126546 772698767 /nfs/dbraw/zinc/69/87/67/772698767.db2.gz JJFHAMDAHDQZJS-KGLIPLIRSA-N 1 3 304.394 0.756 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCCNCc2cc3n(n2)CCC3)CC1 ZINC001165261813 772713100 /nfs/dbraw/zinc/71/31/00/772713100.db2.gz CZKGWOZCBMVYJE-UHFFFAOYSA-N 1 3 319.453 0.767 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001165485316 772742323 /nfs/dbraw/zinc/74/23/23/772742323.db2.gz RVMAHFQUUHXPIC-DGCLKSJQSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001165616743 772750299 /nfs/dbraw/zinc/75/02/99/772750299.db2.gz ARTIQBCTDMLOLQ-OLZOCXBDSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](CC)C(N)=O)CC1)N(C)C ZINC001165718694 772757992 /nfs/dbraw/zinc/75/79/92/772757992.db2.gz OJCPCVBOLVSWHO-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1ccccc1 ZINC001165793818 772763095 /nfs/dbraw/zinc/76/30/95/772763095.db2.gz BKKOENFKHCPQQX-UHFFFAOYSA-N 1 3 306.410 0.673 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)CN2CCC[C@@H]2C)C1=O ZINC001166627125 772830798 /nfs/dbraw/zinc/83/07/98/772830798.db2.gz QLUUUJWZFHPESQ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001166667504 772836862 /nfs/dbraw/zinc/83/68/62/772836862.db2.gz CCUACQRYZVTURB-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001166668112 772837250 /nfs/dbraw/zinc/83/72/50/772837250.db2.gz RLNNQOMOWCGYBG-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCc1ccco1)N(C)C ZINC001166857619 772871201 /nfs/dbraw/zinc/87/12/01/772871201.db2.gz FHHNMKRDEWVUPZ-AWEZNQCLSA-N 1 3 324.425 0.332 20 0 DCADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)C1=O ZINC001203925830 772929793 /nfs/dbraw/zinc/92/97/93/772929793.db2.gz VVZWZPVDERFRLD-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204799435 772962377 /nfs/dbraw/zinc/96/23/77/772962377.db2.gz WWYIJVOXJCPUMI-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001206274243 773060492 /nfs/dbraw/zinc/06/04/92/773060492.db2.gz FWIVODQHNFSXFE-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274646 773061552 /nfs/dbraw/zinc/06/15/52/773061552.db2.gz KZINRYJEWJRPQE-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCOCC(F)F)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194000689 773143042 /nfs/dbraw/zinc/14/30/42/773143042.db2.gz CXLDWLHVVXDMSI-OLZOCXBDSA-N 1 3 319.396 0.753 20 0 DCADHO CN(CCOCC(F)F)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194000689 773143043 /nfs/dbraw/zinc/14/30/43/773143043.db2.gz CXLDWLHVVXDMSI-OLZOCXBDSA-N 1 3 319.396 0.753 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001206952198 773146488 /nfs/dbraw/zinc/14/64/88/773146488.db2.gz CPKOFQAOWRIUHL-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954296 773147112 /nfs/dbraw/zinc/14/71/12/773147112.db2.gz CNKDXULJBVSTAY-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001207685080 773269240 /nfs/dbraw/zinc/26/92/40/773269240.db2.gz WFQIYYUBWUQIOK-HIFRSBDPSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001207687245 773270022 /nfs/dbraw/zinc/27/00/22/773270022.db2.gz BNXYFYUYWMENTG-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NCC)C1 ZINC001208279364 773422353 /nfs/dbraw/zinc/42/23/53/773422353.db2.gz OLHAELZFWBITFU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC(=O)NCC)C1 ZINC001208279364 773422359 /nfs/dbraw/zinc/42/23/59/773422359.db2.gz OLHAELZFWBITFU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001208341260 773437903 /nfs/dbraw/zinc/43/79/03/773437903.db2.gz XRIMIYCGGAJQEY-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677844 773455838 /nfs/dbraw/zinc/45/58/38/773455838.db2.gz VJHSEYWOYATGJK-XEVLESSRSA-N 1 3 309.454 0.846 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001195701194 773465093 /nfs/dbraw/zinc/46/50/93/773465093.db2.gz KRIVLBWMAROCIG-ZIAGYGMSSA-N 1 3 303.422 0.629 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H]2CCCN(C)C2)cn1 ZINC001208611692 773506429 /nfs/dbraw/zinc/50/64/29/773506429.db2.gz WTDUACLOWRTMEQ-VNQPRFMTSA-N 1 3 317.437 0.942 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3C[C@@H]2CCCN(C)C2)cn1 ZINC001208611692 773506435 /nfs/dbraw/zinc/50/64/35/773506435.db2.gz WTDUACLOWRTMEQ-VNQPRFMTSA-N 1 3 317.437 0.942 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323794 773592594 /nfs/dbraw/zinc/59/25/94/773592594.db2.gz MIKVNKJZIULHOI-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001209631211 773627442 /nfs/dbraw/zinc/62/74/42/773627442.db2.gz DEDPIVMKYMNJEO-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001209643818 773629255 /nfs/dbraw/zinc/62/92/55/773629255.db2.gz WOOQWPGWBVNXRE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001209689643 773634738 /nfs/dbraw/zinc/63/47/38/773634738.db2.gz LLYDBKVQJJWEJT-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209949937 773661858 /nfs/dbraw/zinc/66/18/58/773661858.db2.gz BGFIALZQFDTFQS-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209953750 773661968 /nfs/dbraw/zinc/66/19/68/773661968.db2.gz UHMXYMRHGAZVKK-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210481615 773711441 /nfs/dbraw/zinc/71/14/41/773711441.db2.gz COWSBWIZPQODLF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210481615 773711448 /nfs/dbraw/zinc/71/14/48/773711448.db2.gz COWSBWIZPQODLF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001210493756 773713850 /nfs/dbraw/zinc/71/38/50/773713850.db2.gz OUFHUTRHALSNIN-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001210493756 773713856 /nfs/dbraw/zinc/71/38/56/773713856.db2.gz OUFHUTRHALSNIN-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001210812250 773741648 /nfs/dbraw/zinc/74/16/48/773741648.db2.gz VQUUVXNDUSLWQM-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229397 773783647 /nfs/dbraw/zinc/78/36/47/773783647.db2.gz UEUPCYSDULZRNF-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001211283237 773789977 /nfs/dbraw/zinc/78/99/77/773789977.db2.gz FUWCYVAXLHKMTE-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CN(Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1)C(=O)CN ZINC001211362379 773795163 /nfs/dbraw/zinc/79/51/63/773795163.db2.gz YCAOXKCOGRLLGK-UHFFFAOYSA-N 1 3 303.366 0.715 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001152433183 773893353 /nfs/dbraw/zinc/89/33/53/773893353.db2.gz WPOPKRFRYKOESB-CQSZACIVSA-N 1 3 321.421 0.872 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890240 774022057 /nfs/dbraw/zinc/02/20/57/774022057.db2.gz TUNKVNFWGXZCTI-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890240 774022061 /nfs/dbraw/zinc/02/20/61/774022061.db2.gz TUNKVNFWGXZCTI-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO COCCOCC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925170 774022272 /nfs/dbraw/zinc/02/22/72/774022272.db2.gz LMUNXPPTLMGDSM-UHFFFAOYSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413330 774071045 /nfs/dbraw/zinc/07/10/45/774071045.db2.gz BNFJXPYQXLUMGR-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215422043 774071738 /nfs/dbraw/zinc/07/17/38/774071738.db2.gz UXAOGCJELYXETM-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1ccnn1C ZINC001215422110 774071908 /nfs/dbraw/zinc/07/19/08/774071908.db2.gz XTQHOTXERDEAAW-UKRRQHHQSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001216511209 774120814 /nfs/dbraw/zinc/12/08/14/774120814.db2.gz MWILNLKKMRVZHT-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO c1cc(O[C@H]2CSC3(C[NH2+]C3)C2)n2nc3c(c2n1)CNCC3 ZINC001218100320 774211969 /nfs/dbraw/zinc/21/19/69/774211969.db2.gz NKKWMYSYFYWGCW-SNVBAGLBSA-N 1 3 317.418 0.601 20 0 DCADHO c1cc(O[C@@H]2CCO[C@@]23CC[NH2+]C3)n2nc3c(c2n1)CNCC3 ZINC001218138999 774213680 /nfs/dbraw/zinc/21/36/80/774213680.db2.gz REMBWMXEDOFGSA-CZUORRHYSA-N 1 3 315.377 0.275 20 0 DCADHO c1cc(OC[C@H]2C[NH2+]CCCO2)n2nc3c(c2n1)CNCC3 ZINC001218302169 774220269 /nfs/dbraw/zinc/22/02/69/774220269.db2.gz PGAUXSOOORESAI-LLVKDONJSA-N 1 3 303.366 0.132 20 0 DCADHO CO[C@@H]1CCN[C@@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC001218532442 774238798 /nfs/dbraw/zinc/23/87/98/774238798.db2.gz FLXRXXLEUZYLSC-IQJOONFLSA-N 1 3 310.423 0.665 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1nonc1-c1nc2ccccc2[nH]1 ZINC001218625455 774266636 /nfs/dbraw/zinc/26/66/36/774266636.db2.gz BKPLYYDDNJXJLE-MRVPVSSYSA-N 1 3 315.337 0.618 20 0 DCADHO COc1ncnc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c1OC ZINC001218653453 774272977 /nfs/dbraw/zinc/27/29/77/774272977.db2.gz SGGZGJMMAJMTST-JTQLQIEISA-N 1 3 311.386 0.492 20 0 DCADHO O=C(Nc1cc(-c2ccncn2)cs1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218666112 774277467 /nfs/dbraw/zinc/27/74/67/774277467.db2.gz WNWNGVVZPMINDH-NSHDSACASA-N 1 3 315.402 0.953 20 0 DCADHO COC(=O)c1c(C)scc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218668346 774277538 /nfs/dbraw/zinc/27/75/38/774277538.db2.gz YXNZTJFEAYZYGM-MEBBXXQBSA-N 1 3 323.418 0.981 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726649 774290090 /nfs/dbraw/zinc/29/00/90/774290090.db2.gz PCSPKQVUIBZFAB-CHWSQXEVSA-N 1 3 316.365 0.054 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726649 774290091 /nfs/dbraw/zinc/29/00/91/774290091.db2.gz PCSPKQVUIBZFAB-CHWSQXEVSA-N 1 3 316.365 0.054 20 0 DCADHO CCc1cc2ncc(NC(=O)[C@@H](N)C3CC[NH2+]CC3)cn2n1 ZINC001218735690 774291486 /nfs/dbraw/zinc/29/14/86/774291486.db2.gz GISVZSAIASNSAB-AWEZNQCLSA-N 1 3 302.382 0.557 20 0 DCADHO Nc1cnc(N(C(=O)[C@@H](N)CCCC[NH3+])C2CCCC2)nc1 ZINC001218747952 774296157 /nfs/dbraw/zinc/29/61/57/774296157.db2.gz JDWVBCBBXGFKEV-ZDUSSCGKSA-N 1 3 306.414 0.791 20 0 DCADHO Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cnc1OC(C)C ZINC001218760003 774299963 /nfs/dbraw/zinc/29/99/63/774299963.db2.gz NRYGPARLHFBVRP-ZDUSSCGKSA-N 1 3 304.394 0.925 20 0 DCADHO N[C@@H](C(=O)Nc1ccc2c(c1)C(=O)NCCO2)C1CC[NH2+]CC1 ZINC001218816902 774309118 /nfs/dbraw/zinc/30/91/18/774309118.db2.gz NWJCQZZGJGVHBV-CQSZACIVSA-N 1 3 318.377 0.074 20 0 DCADHO CCN1CCN(Cc2ccc(NC(=O)CNCC[NH3+])cc2)CC1 ZINC001218845621 774314242 /nfs/dbraw/zinc/31/42/42/774314242.db2.gz FLJHJUZZWHZUFK-UHFFFAOYSA-N 1 3 319.453 0.311 20 0 DCADHO CN(C)C(=O)Cc1ccccc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218954364 774336026 /nfs/dbraw/zinc/33/60/26/774336026.db2.gz KZKJJNUMUAKELO-MRXNPFEDSA-N 1 3 318.421 0.583 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)n1oc2ccc(N)cc2c1=N ZINC001219136541 774383495 /nfs/dbraw/zinc/38/34/95/774383495.db2.gz IKIGWHNBUABCSJ-LBPRGKRZSA-N 1 3 305.382 0.995 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201067039 774441874 /nfs/dbraw/zinc/44/18/74/774441874.db2.gz VUUVUETYPQGWSW-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(Nc1cccc(F)c1OC1CC[NH2+]CC1)[C@@H]1CNCCN1 ZINC001219303450 774441978 /nfs/dbraw/zinc/44/19/78/774441978.db2.gz XOFQQESKRHWYHI-AWEZNQCLSA-N 1 3 322.384 0.456 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)C(=O)N(C)C ZINC001201051969 774445287 /nfs/dbraw/zinc/44/52/87/774445287.db2.gz BUOMGAOGDVVKPG-SWLSCSKDSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CCOCCOC)CC1)N(C)C ZINC001201239782 774468810 /nfs/dbraw/zinc/46/88/10/774468810.db2.gz MXRAEUMQVOPEOC-OAHLLOKOSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1nc2ccccc2[nH]1 ZINC001219702328 774585501 /nfs/dbraw/zinc/58/55/01/774585501.db2.gz ZMMINQXYDZOWGV-XWCIJXRUSA-N 1 3 313.405 0.939 20 0 DCADHO O=C(C[C@@H]1CCNC[C@H]1F)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744173 774596714 /nfs/dbraw/zinc/59/67/14/774596714.db2.gz UIWDLDONDVMCQB-MELADBBJSA-N 1 3 313.417 0.742 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847243 774626346 /nfs/dbraw/zinc/62/63/46/774626346.db2.gz AXCRMQGOFVIFNU-MPTYRVRUSA-N 1 3 321.396 0.721 20 0 DCADHO COc1cccc([C@H](N)CC(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001219856578 774630045 /nfs/dbraw/zinc/63/00/45/774630045.db2.gz SLHAFBJHKGDJIE-APIJFGDWSA-N 1 3 305.378 0.188 20 0 DCADHO CCCCCN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944109 774653128 /nfs/dbraw/zinc/65/31/28/774653128.db2.gz PDAXZQLMYBFHLQ-CABCVRRESA-N 1 3 309.454 0.966 20 0 DCADHO N[C@H](CC(=O)NC1(C[NH3+])COC1)c1ccc(C(F)(F)F)cc1 ZINC001220153835 774712026 /nfs/dbraw/zinc/71/20/26/774712026.db2.gz AEQRMWICOVVKRU-LLVKDONJSA-N 1 3 317.311 0.939 20 0 DCADHO O=C(NC[C@@H]1CCNCC1(F)F)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220187119 774727071 /nfs/dbraw/zinc/72/70/71/774727071.db2.gz YQIDELCKIXHVCO-NWDGAFQWSA-N 1 3 316.396 0.222 20 0 DCADHO O=C(N[C@@H]1CCCc2cccnc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220225022 774739845 /nfs/dbraw/zinc/73/98/45/774739845.db2.gz CJVCDXRZTLXDJU-CKEIUWERSA-N 1 3 300.406 0.774 20 0 DCADHO Cc1nc[nH]c1CSCCNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220256860 774747973 /nfs/dbraw/zinc/74/79/73/774747973.db2.gz HFYUPESRZRWQCP-JTQLQIEISA-N 1 3 317.484 0.087 20 0 DCADHO O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccc2c(c1)CNC2 ZINC001220322954 774771821 /nfs/dbraw/zinc/77/18/21/774771821.db2.gz ADFBWNLQAYPRAM-NVXWUHKLSA-N 1 3 301.390 0.931 20 0 DCADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1cncc2c1CCNC2 ZINC001220323198 774772158 /nfs/dbraw/zinc/77/21/58/774772158.db2.gz DBZGWUHXGISOOE-SUMWQHHRSA-N 1 3 316.405 0.368 20 0 DCADHO N[C@@H](C(=O)Nc1cccn(CC2CC2)c1=O)C1CC[NH2+]CC1 ZINC001220342902 774778760 /nfs/dbraw/zinc/77/87/60/774778760.db2.gz AFUPHJIPFJSZQT-CQSZACIVSA-N 1 3 304.394 0.524 20 0 DCADHO O=C(NC[C@H](O)C1CCCCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220467490 774820001 /nfs/dbraw/zinc/82/00/01/774820001.db2.gz YGKINYBILICDGS-CABCVRRESA-N 1 3 309.454 0.918 20 0 DCADHO O=C(NC[C@H](O)C1CCCCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220467490 774820007 /nfs/dbraw/zinc/82/00/07/774820007.db2.gz YGKINYBILICDGS-CABCVRRESA-N 1 3 309.454 0.918 20 0 DCADHO C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)[C@H](O)c1cccc(O)c1 ZINC001220548305 774842547 /nfs/dbraw/zinc/84/25/47/774842547.db2.gz GDNAHKISAWZEKG-VQISRLSMSA-N 1 3 307.394 0.257 20 0 DCADHO C[C@](N)(CO)C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606755 774861682 /nfs/dbraw/zinc/86/16/82/774861682.db2.gz CZPJSLBUBJGISQ-JQWIXIFHSA-N 1 3 316.199 0.275 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202527084 774866169 /nfs/dbraw/zinc/86/61/69/774866169.db2.gz WTQRJYQQBDWFKZ-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NC[C@H]1CN(c2ccccc2)CCO1 ZINC001220736164 774905122 /nfs/dbraw/zinc/90/51/22/774905122.db2.gz CIFMBEYZTWFZSS-LSDHHAIUSA-N 1 3 306.410 0.074 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCC1CCN(c2ncccn2)CC1 ZINC001220931191 774955866 /nfs/dbraw/zinc/95/58/66/774955866.db2.gz YRMJUAJNUIVOLI-AWEZNQCLSA-N 1 3 320.441 0.266 20 0 DCADHO COCc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001220934159 774956311 /nfs/dbraw/zinc/95/63/11/774956311.db2.gz KIARYDDMUWPIOT-NVXWUHKLSA-N 1 3 303.406 0.648 20 0 DCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NCCO[C@H]1CC[NH2+]C1 ZINC001220937477 774957460 /nfs/dbraw/zinc/95/74/60/774957460.db2.gz SMGVLYPNGUDUKK-HOTGVXAUSA-N 1 3 303.406 0.586 20 0 DCADHO O=C(NCc1cn(CC2CC2)cn1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221023730 774981244 /nfs/dbraw/zinc/98/12/44/774981244.db2.gz RUGCCUXIXQMBFV-HNNXBMFYSA-N 1 3 317.437 0.784 20 0 DCADHO O=C(NCc1cn(CC2CC2)cn1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221023730 774981248 /nfs/dbraw/zinc/98/12/48/774981248.db2.gz RUGCCUXIXQMBFV-HNNXBMFYSA-N 1 3 317.437 0.784 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NCc1cn(Cc2ccncc2)cn1 ZINC001221026563 774982682 /nfs/dbraw/zinc/98/26/82/774982682.db2.gz ZEKQTDLWHXVORO-AWEZNQCLSA-N 1 3 302.382 0.009 20 0 DCADHO CN[C@H](C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H](C)O ZINC001221034268 774983677 /nfs/dbraw/zinc/98/36/77/774983677.db2.gz NPHILVOYFSIYKP-XFBWCDHKSA-N 1 3 323.412 0.951 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001202668614 774985306 /nfs/dbraw/zinc/98/53/06/774985306.db2.gz STSVXXYKHLCFGM-UHFFFAOYSA-N 1 3 319.409 0.059 20 0 DCADHO N[C@@H](C(=O)NCc1cc(OCC2CC2)ncn1)C1CC[NH2+]CC1 ZINC001221157378 775011078 /nfs/dbraw/zinc/01/10/78/775011078.db2.gz GLDCXLNDAOFCTH-OAHLLOKOSA-N 1 3 319.409 0.209 20 0 DCADHO COc1cccnc1[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221214984 775029783 /nfs/dbraw/zinc/02/97/83/775029783.db2.gz LDEXJRKNAKIISU-JSGCOSHPSA-N 1 3 316.405 0.467 20 0 DCADHO COc1cccnc1[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001221215793 775030006 /nfs/dbraw/zinc/03/00/06/775030006.db2.gz VBQHJGYHDAVASN-CABCVRRESA-N 1 3 318.421 0.984 20 0 DCADHO Cn1ncc2c1cccc2CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221305612 775062426 /nfs/dbraw/zinc/06/24/26/775062426.db2.gz FXCFWHNJLIUKQF-OAHLLOKOSA-N 1 3 301.394 0.516 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365422 775078004 /nfs/dbraw/zinc/07/80/04/775078004.db2.gz BPNXDNNWKVSJKD-OUAUKWLOSA-N 1 3 303.378 0.122 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)C3CC4(C[NH2+]C4)C3)CC2)NC1 ZINC001221392207 775083619 /nfs/dbraw/zinc/08/36/19/775083619.db2.gz UCUJOPQLRAHWMV-UHFFFAOYSA-N 1 3 302.422 0.554 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221393206 775084399 /nfs/dbraw/zinc/08/43/99/775084399.db2.gz YLYQNCPJFDOTSU-AWEZNQCLSA-N 1 3 304.438 0.800 20 0 DCADHO CN(C)C(=O)c1ccc(CCNC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001221393127 775084508 /nfs/dbraw/zinc/08/45/08/775084508.db2.gz RYNJDZUKWIAYRL-HNNXBMFYSA-N 1 3 320.437 0.503 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001221400139 775086764 /nfs/dbraw/zinc/08/67/64/775086764.db2.gz ZLLOVBULSIXYEJ-YYIAUSFCSA-N 1 3 315.417 0.442 20 0 DCADHO C[C@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]C[C@@H]1O ZINC001221398434 775087027 /nfs/dbraw/zinc/08/70/27/775087027.db2.gz ZMEHKKJVWQMDAO-ZOBUZTSGSA-N 1 3 303.406 0.178 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001221397522 775087153 /nfs/dbraw/zinc/08/71/53/775087153.db2.gz LEGDQAIDTTTZPV-YLFCFFPRSA-N 1 3 315.417 0.727 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[S@@](C)=O)[C@H](C)C1 ZINC001221407800 775091636 /nfs/dbraw/zinc/09/16/36/775091636.db2.gz MTYXXAYZUYHSLI-TXTZDMIGSA-N 1 3 303.472 0.317 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC[S@@](C)=O)[C@H](C)C1 ZINC001221407800 775091630 /nfs/dbraw/zinc/09/16/30/775091630.db2.gz MTYXXAYZUYHSLI-TXTZDMIGSA-N 1 3 303.472 0.317 20 0 DCADHO CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095432254 775117842 /nfs/dbraw/zinc/11/78/42/775117842.db2.gz YCOHSAFHDRCKSU-SNPRPXQTSA-N 1 3 305.426 0.800 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCNC2(CC[NH2+]CC2)C1 ZINC001222100107 775272297 /nfs/dbraw/zinc/27/22/97/775272297.db2.gz VLACIGGJBCTHOG-UHFFFAOYSA-N 1 3 307.467 0.316 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225080441 775639846 /nfs/dbraw/zinc/63/98/46/775639846.db2.gz QDRFVVIIQDHLGI-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225080441 775639850 /nfs/dbraw/zinc/63/98/50/775639850.db2.gz QDRFVVIIQDHLGI-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001226932667 775898235 /nfs/dbraw/zinc/89/82/35/775898235.db2.gz NYIHCRAUQAFGDD-NFAWXSAZSA-N 1 3 312.458 0.336 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001228661403 776110830 /nfs/dbraw/zinc/11/08/30/776110830.db2.gz RJTHEWUOGNEYES-MCIONIFRSA-N 1 3 312.458 0.480 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114831845 776199054 /nfs/dbraw/zinc/19/90/54/776199054.db2.gz GTRHXCHLMCLNGJ-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001114831845 776199063 /nfs/dbraw/zinc/19/90/63/776199063.db2.gz GTRHXCHLMCLNGJ-LJIGWXMPSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)N(C)C ZINC001229746018 776222895 /nfs/dbraw/zinc/22/28/95/776222895.db2.gz FFEBHSOCXNOFLW-KFWWJZLASA-N 1 3 322.457 0.635 20 0 DCADHO CN(CCNCC(=O)NCC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661129 945152822 /nfs/dbraw/zinc/15/28/22/945152822.db2.gz IKBXMFOLZOQDKY-CYBMUJFWSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CCNCC(=O)NCC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317661129 945152826 /nfs/dbraw/zinc/15/28/26/945152826.db2.gz IKBXMFOLZOQDKY-CYBMUJFWSA-N 1 3 312.458 0.148 20 0 DCADHO CN1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1=O ZINC000397499718 939137455 /nfs/dbraw/zinc/13/74/55/939137455.db2.gz VIDPSHKDQMXBLT-INIZCTEOSA-N 1 3 317.433 0.834 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001414154840 939184668 /nfs/dbraw/zinc/18/46/68/939184668.db2.gz IQGCDICUNFRIGV-UONOGXRCSA-N 1 3 312.458 0.338 20 0 DCADHO CN(CC[NH2+]CCO[C@H]1CC1(F)F)C(=O)[C@@H]1CCCN1C ZINC001267355261 939432633 /nfs/dbraw/zinc/43/26/33/939432633.db2.gz MDKFBUFNYITJQQ-RYUDHWBXSA-N 1 3 305.369 0.553 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001267509118 939480602 /nfs/dbraw/zinc/48/06/02/939480602.db2.gz NPSCAXNCMNITIP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001267509118 939480603 /nfs/dbraw/zinc/48/06/03/939480603.db2.gz NPSCAXNCMNITIP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001481240841 939661825 /nfs/dbraw/zinc/66/18/25/939661825.db2.gz ZOLYJBGVSUEGAJ-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001481243539 939664828 /nfs/dbraw/zinc/66/48/28/939664828.db2.gz VOVWPOQNEFNWRV-ZFWWWQNUSA-N 1 3 322.457 0.400 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCNC(=O)C1CC1 ZINC001267970732 939716452 /nfs/dbraw/zinc/71/64/52/939716452.db2.gz NXJHLEKFQYNAEL-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)CCC[NH+]2CCCCC2)n[nH]1 ZINC001481317893 939744604 /nfs/dbraw/zinc/74/46/04/939744604.db2.gz UGMPKQANRHBZKT-UHFFFAOYSA-N 1 3 322.457 0.927 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273122918 945278485 /nfs/dbraw/zinc/27/84/85/945278485.db2.gz JTKLUOVHJJFCNZ-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273122918 945278487 /nfs/dbraw/zinc/27/84/87/945278487.db2.gz JTKLUOVHJJFCNZ-VXGBXAGGSA-N 1 3 311.455 0.864 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001481627700 939979506 /nfs/dbraw/zinc/97/95/06/939979506.db2.gz FPQXEGAXULJTDS-HIFRSBDPSA-N 1 3 315.433 0.751 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268470680 940166507 /nfs/dbraw/zinc/16/65/07/940166507.db2.gz ZJYWYHXDLMFMID-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001481941681 940190629 /nfs/dbraw/zinc/19/06/29/940190629.db2.gz WSYNZOJVXWNIFZ-DYVFJYSZSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001482006561 940205805 /nfs/dbraw/zinc/20/58/05/940205805.db2.gz BPSBMYOZXBEEAJ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CN[C@H](C)C(N)=O)C1 ZINC001268582137 940265587 /nfs/dbraw/zinc/26/55/87/940265587.db2.gz GMTSKVMPPFKAQB-WEHDMVHDSA-N 1 3 310.442 0.244 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CN[C@H](C)C(N)=O)C1 ZINC001268582137 940265589 /nfs/dbraw/zinc/26/55/89/940265589.db2.gz GMTSKVMPPFKAQB-WEHDMVHDSA-N 1 3 310.442 0.244 20 0 DCADHO CN1CCC[C@H](NC/C=C\CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001268588558 940270860 /nfs/dbraw/zinc/27/08/60/940270860.db2.gz SMKRGUGJSZISCX-JZIMQPMSSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)CC[NH+](C)C)C(=O)N1CCCCC1 ZINC001268587388 940271204 /nfs/dbraw/zinc/27/12/04/940271204.db2.gz ISDJWONOGJRCQV-IYKSTZQJSA-N 1 3 324.469 0.601 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+][C@@H]1CCNC1=O ZINC001482142917 940280882 /nfs/dbraw/zinc/28/08/82/940280882.db2.gz LQVTZNRJZGYMBT-CHWSQXEVSA-N 1 3 312.458 0.195 20 0 DCADHO O=C1CCNC[C@H]1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001245997557 945309972 /nfs/dbraw/zinc/30/99/72/945309972.db2.gz UPPUFXYQDKTVRK-MRXNPFEDSA-N 1 3 317.433 0.534 20 0 DCADHO O[C@@]1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CCNC[C@@H]1F ZINC001246081937 945334007 /nfs/dbraw/zinc/33/40/07/945334007.db2.gz KFHZTHNWCURYIV-DLBZAZTESA-N 1 3 322.428 0.698 20 0 DCADHO COCCCCN1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001269236178 940657537 /nfs/dbraw/zinc/65/75/37/940657537.db2.gz XBXPJVQMNLXVOC-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC)CCCC1 ZINC001482220749 940713875 /nfs/dbraw/zinc/71/38/75/940713875.db2.gz JCFISBOGGGLIDT-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001482386313 941033492 /nfs/dbraw/zinc/03/34/92/941033492.db2.gz SNCISJRUPNWKCW-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1 ZINC001423166429 941377083 /nfs/dbraw/zinc/37/70/83/941377083.db2.gz MHQOPENZUATEEN-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001482554225 941493186 /nfs/dbraw/zinc/49/31/86/941493186.db2.gz RMXZXZMOECOSHI-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1cc(CN[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)ncn1 ZINC001482569633 941510410 /nfs/dbraw/zinc/51/04/10/941510410.db2.gz CTOAEIOXKJWUQW-ZBFHGGJFSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1cc(CN[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)ncn1 ZINC001482569633 941510415 /nfs/dbraw/zinc/51/04/15/941510415.db2.gz CTOAEIOXKJWUQW-ZBFHGGJFSA-N 1 3 319.453 0.967 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001483139081 941904188 /nfs/dbraw/zinc/90/41/88/941904188.db2.gz YDPYLULLLJBQQJ-MCIONIFRSA-N 1 3 312.458 0.288 20 0 DCADHO O=C(C(=O)N1CCC[C@]12CC[NH2+]C2)N1CC[C@@H](N2CCCC2)C1 ZINC000905008773 941995471 /nfs/dbraw/zinc/99/54/71/941995471.db2.gz AGHCHVVOHIDAHU-RHSMWYFYSA-N 1 3 320.437 0.038 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCCC1)NC(=O)CN(C)C1CCC1 ZINC001483235594 942042111 /nfs/dbraw/zinc/04/21/11/942042111.db2.gz WPFFBDSIKTYJJR-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483378085 942313925 /nfs/dbraw/zinc/31/39/25/942313925.db2.gz MUWFHOVQDKDPGY-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO CN(CCC[NH2+]C[C@H]1C[C@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001483494046 942386345 /nfs/dbraw/zinc/38/63/45/942386345.db2.gz ADRGBJHNCZPBNE-CJNGLKHVSA-N 1 3 306.410 0.817 20 0 DCADHO CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H]1C(C)(C)C ZINC000912026555 942393327 /nfs/dbraw/zinc/39/33/27/942393327.db2.gz JGXJMVRQIKYMLR-OAHLLOKOSA-N 1 3 310.486 0.669 20 0 DCADHO CN1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C[C@@H]1C(C)(C)C ZINC000912026555 942393331 /nfs/dbraw/zinc/39/33/31/942393331.db2.gz JGXJMVRQIKYMLR-OAHLLOKOSA-N 1 3 310.486 0.669 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001413107790 942509432 /nfs/dbraw/zinc/50/94/32/942509432.db2.gz OQKQJRZXMHRXPH-DGCLKSJQSA-N 1 3 321.425 0.318 20 0 DCADHO CN1CCC[C@H](NC2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001483783905 942948929 /nfs/dbraw/zinc/94/89/29/942948929.db2.gz PDJHRRXMVZWUDR-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@H](NC2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001483783905 942948937 /nfs/dbraw/zinc/94/89/37/942948937.db2.gz PDJHRRXMVZWUDR-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001483942966 943042606 /nfs/dbraw/zinc/04/26/06/943042606.db2.gz PHMKGGJTMSGQCG-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCCF)CCOCC1)N(C)C ZINC001484188546 943184615 /nfs/dbraw/zinc/18/46/15/943184615.db2.gz YSGFJCFIFHIRKM-ZDUSSCGKSA-N 1 3 303.422 0.941 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(CCOC2CCC2)C1 ZINC001484238959 943244996 /nfs/dbraw/zinc/24/49/96/943244996.db2.gz NZURSZLYZHNLCN-INIZCTEOSA-N 1 3 313.442 0.060 20 0 DCADHO CCOCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001484411698 943361241 /nfs/dbraw/zinc/36/12/41/943361241.db2.gz CYJJJHJMJWYPPC-HRCADAONSA-N 1 3 309.454 0.755 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001484411698 943361247 /nfs/dbraw/zinc/36/12/47/943361247.db2.gz CYJJJHJMJWYPPC-HRCADAONSA-N 1 3 309.454 0.755 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001484447430 943403043 /nfs/dbraw/zinc/40/30/43/943403043.db2.gz IXTDINDYCCKMTH-GDBMZVCRSA-N 1 3 315.458 0.042 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001484447430 943403046 /nfs/dbraw/zinc/40/30/46/943403046.db2.gz IXTDINDYCCKMTH-GDBMZVCRSA-N 1 3 315.458 0.042 20 0 DCADHO C[C@H](O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484543515 943446038 /nfs/dbraw/zinc/44/60/38/943446038.db2.gz MSOHAEBOXDWABM-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC)C1 ZINC001484552099 943449789 /nfs/dbraw/zinc/44/97/89/943449789.db2.gz VUNMMBAQKHFSEU-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001484816893 943587226 /nfs/dbraw/zinc/58/72/26/943587226.db2.gz RTPIGJCHMUYGKH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CCn3cccn3)C2)C1 ZINC001485102747 943692951 /nfs/dbraw/zinc/69/29/51/943692951.db2.gz QRDGTWNMSFMPCY-QQFBHYJXSA-N 1 3 319.453 0.709 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001485103200 943693321 /nfs/dbraw/zinc/69/33/21/943693321.db2.gz IQYKPNSRKMRUKQ-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001491366040 943943202 /nfs/dbraw/zinc/94/32/02/943943202.db2.gz CYHWCAOZIRVEGJ-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001491366040 943943204 /nfs/dbraw/zinc/94/32/04/943943204.db2.gz CYHWCAOZIRVEGJ-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCCC1 ZINC001485458536 943948289 /nfs/dbraw/zinc/94/82/89/943948289.db2.gz BNRSGILPBJSBDV-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494043547 944082392 /nfs/dbraw/zinc/08/23/92/944082392.db2.gz ROZXARVCMRZTSZ-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001485833918 944264027 /nfs/dbraw/zinc/26/40/27/944264027.db2.gz NGCODUXDWPOJMX-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001485833918 944264033 /nfs/dbraw/zinc/26/40/33/944264033.db2.gz NGCODUXDWPOJMX-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001485836440 944309867 /nfs/dbraw/zinc/30/98/67/944309867.db2.gz BOZZGYNTVKCTJQ-GOEBONIOSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N(C)C ZINC001485886779 944382913 /nfs/dbraw/zinc/38/29/13/944382913.db2.gz ZZPQFWWUHRUSSG-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N(C)C ZINC001485886779 944382921 /nfs/dbraw/zinc/38/29/21/944382921.db2.gz ZZPQFWWUHRUSSG-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@H]1CCN(C)C1=O ZINC001485960292 944448031 /nfs/dbraw/zinc/44/80/31/944448031.db2.gz CZQNYUNQZLXCPR-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)CN(C)C1CCC1 ZINC001486114234 944573758 /nfs/dbraw/zinc/57/37/58/944573758.db2.gz MMUCWPKRPVSKOK-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001316854529 944602456 /nfs/dbraw/zinc/60/24/56/944602456.db2.gz LYHWIZZNMRLWHQ-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@@H](C(N)=O)N(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001316926568 944653227 /nfs/dbraw/zinc/65/32/27/944653227.db2.gz KJQCDAJORVUAEL-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C(N)=O)N(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001316926568 944653231 /nfs/dbraw/zinc/65/32/31/944653231.db2.gz KJQCDAJORVUAEL-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCCC2)C(C)(C)C1 ZINC001486239835 944664458 /nfs/dbraw/zinc/66/44/58/944664458.db2.gz GEHBHOPROPAUTB-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001317186928 944843761 /nfs/dbraw/zinc/84/37/61/944843761.db2.gz BYPWYEZASTWKKY-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001491558967 944861952 /nfs/dbraw/zinc/86/19/52/944861952.db2.gz IPQXFMKPXRVKBG-GVXVVHGQSA-N 1 3 308.430 0.438 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001491558967 944861960 /nfs/dbraw/zinc/86/19/60/944861960.db2.gz IPQXFMKPXRVKBG-GVXVVHGQSA-N 1 3 308.430 0.438 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C)C(N)=O ZINC001486411579 944864258 /nfs/dbraw/zinc/86/42/58/944864258.db2.gz NYCKRYPLZHHLLL-RYUDHWBXSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CN1 ZINC001246258312 945370685 /nfs/dbraw/zinc/37/06/85/945370685.db2.gz WDYBNRHESSRONQ-SJXGUFTOSA-N 1 3 311.426 0.171 20 0 DCADHO CS(=O)(=O)c1ccccc1CN[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246333451 945386876 /nfs/dbraw/zinc/38/68/76/945386876.db2.gz QMDAGQILPVHATG-CYBMUJFWSA-N 1 3 309.435 0.274 20 0 DCADHO O=C1CNCCN1CCN[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246358197 945391895 /nfs/dbraw/zinc/39/18/95/945391895.db2.gz YKHOLNQFOAKRRN-IRXDYDNUSA-N 1 3 316.449 0.371 20 0 DCADHO CC1(C)CC([NH2+]CCCC[C@H](N)C(N)=O)CC(C)(C)N1O ZINC001246413021 945407240 /nfs/dbraw/zinc/40/72/40/945407240.db2.gz FALSUGHCEJGQRF-LBPRGKRZSA-N 1 3 300.447 0.970 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)CCN1 ZINC001246465565 945414478 /nfs/dbraw/zinc/41/44/78/945414478.db2.gz ZPFGBHJZEOPKDC-DUJLVANISA-N 1 3 301.456 0.672 20 0 DCADHO [NH3+][C@@H]1CCN([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246556712 945431375 /nfs/dbraw/zinc/43/13/75/945431375.db2.gz COYHETKLKAVJOE-GVDBMIGSSA-N 1 3 317.433 0.962 20 0 DCADHO N[C@@H]1CC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246556712 945431381 /nfs/dbraw/zinc/43/13/81/945431381.db2.gz COYHETKLKAVJOE-GVDBMIGSSA-N 1 3 317.433 0.962 20 0 DCADHO N[C@@H]1CC[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246556712 945431387 /nfs/dbraw/zinc/43/13/87/945431387.db2.gz COYHETKLKAVJOE-GVDBMIGSSA-N 1 3 317.433 0.962 20 0 DCADHO CC(C)(C)OC(=O)CN1CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246583895 945436251 /nfs/dbraw/zinc/43/62/51/945436251.db2.gz LQCNSVIZIOWVDK-JSGCOSHPSA-N 1 3 313.442 0.044 20 0 DCADHO CC(C)(C)OC(=O)CN1CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246583895 945436253 /nfs/dbraw/zinc/43/62/53/945436253.db2.gz LQCNSVIZIOWVDK-JSGCOSHPSA-N 1 3 313.442 0.044 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H](N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)CCN1 ZINC001246690629 945462373 /nfs/dbraw/zinc/46/23/73/945462373.db2.gz KXOFPFOGKQQRKQ-DGAVXFQQSA-N 1 3 313.417 0.679 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[NH+](C3CCNCC3)C[C@H]2C1 ZINC001246765779 945486234 /nfs/dbraw/zinc/48/62/34/945486234.db2.gz KSKUHTULXMEWGO-GJZGRUSLSA-N 1 3 300.406 0.837 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CN1 ZINC001246970513 945528676 /nfs/dbraw/zinc/52/86/76/945528676.db2.gz ZZKHITMHBMQIMB-IMJJTQAJSA-N 1 3 324.469 0.168 20 0 DCADHO COCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001278488220 945559346 /nfs/dbraw/zinc/55/93/46/945559346.db2.gz UMVMBAPVGZNFDX-BPLDGKMQSA-N 1 3 306.410 0.815 20 0 DCADHO O[C@H]1C[NH2+]C[C@H](c2nc(-c3ccc4c(n3)CCNC4)no2)C1 ZINC001247748861 945571524 /nfs/dbraw/zinc/57/15/24/945571524.db2.gz MFLMDBMQVOXCDA-GHMZBOCLSA-N 1 3 301.350 0.215 20 0 DCADHO c1cc(-c2noc([C@@H]3CCC4(C[NH2+]C4)O3)n2)nc2c1CNCC2 ZINC001247852616 945579719 /nfs/dbraw/zinc/57/97/19/945579719.db2.gz SFCZHIUGDFOQMR-ZDUSSCGKSA-N 1 3 313.361 0.971 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001319533724 945613635 /nfs/dbraw/zinc/61/36/35/945613635.db2.gz JMPNKNWLZGIMCL-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]C/C=C\Cl)N1CCCC1 ZINC001320255919 945789232 /nfs/dbraw/zinc/78/92/32/945789232.db2.gz BETHZAGPYUPFOD-FOQNGQEVSA-N 1 3 303.834 0.680 20 0 DCADHO O=C(C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)NC1CCC1 ZINC001252949113 946038086 /nfs/dbraw/zinc/03/80/86/946038086.db2.gz GRLOPLFHAMVBRH-GOSISDBHSA-N 1 3 317.433 0.882 20 0 DCADHO CN1C(=O)CC[C@@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945904 946041147 /nfs/dbraw/zinc/04/11/47/946041147.db2.gz KDUCQBVWLCWDCZ-AEFFLSMTSA-N 1 3 317.433 0.834 20 0 DCADHO CN1C(=O)CC[C@@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945904 946041160 /nfs/dbraw/zinc/04/11/60/946041160.db2.gz KDUCQBVWLCWDCZ-AEFFLSMTSA-N 1 3 317.433 0.834 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320928142 946068812 /nfs/dbraw/zinc/06/88/12/946068812.db2.gz GZEVPUJTUILZOM-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](O)COc1ccc(CCO)cc1 ZINC001253174151 946081073 /nfs/dbraw/zinc/08/10/73/946081073.db2.gz UOBUIGRXWGKQNP-UWWQBHOKSA-N 1 3 322.449 0.891 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](O)COc1ccc(CCO)cc1 ZINC001253174151 946081086 /nfs/dbraw/zinc/08/10/86/946081086.db2.gz UOBUIGRXWGKQNP-UWWQBHOKSA-N 1 3 322.449 0.891 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001410240982 946082272 /nfs/dbraw/zinc/08/22/72/946082272.db2.gz OJLNKDCGYNGIIB-JHJVBQTASA-N 1 3 310.442 0.219 20 0 DCADHO CN1C[C@@H]2C[N@@H+](C[C@@](C)(O)C(=O)OCc3ccccc3)C[C@@H]2C1 ZINC001253636610 946147755 /nfs/dbraw/zinc/14/77/55/946147755.db2.gz RGUAWPXTIVPNDV-SOLBZPMBSA-N 1 3 318.417 0.974 20 0 DCADHO CN1C[C@@H]2C[N@H+](C[C@@](C)(O)C(=O)OCc3ccccc3)C[C@@H]2C1 ZINC001253636610 946147759 /nfs/dbraw/zinc/14/77/59/946147759.db2.gz RGUAWPXTIVPNDV-SOLBZPMBSA-N 1 3 318.417 0.974 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1CCCC1=O)N(C)C ZINC001410400924 946306591 /nfs/dbraw/zinc/30/65/91/946306591.db2.gz XCZNZOTUHMQEFZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cnc(N)nc3)C2)C1=O ZINC001273303508 946456118 /nfs/dbraw/zinc/45/61/18/946456118.db2.gz CELKPKMRKNFAGN-INIZCTEOSA-N 1 3 318.425 0.045 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](CNCCF)C1)[NH+](CC)CC ZINC001273316304 946492084 /nfs/dbraw/zinc/49/20/84/946492084.db2.gz QOZXWRAJWDRXKU-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN(C2CC[NH+](C3CC3)CC2)C1 ZINC001256081613 946584349 /nfs/dbraw/zinc/58/43/49/946584349.db2.gz IXNZJPRXWONOMT-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCN(C3CC3)CC2)C1 ZINC001256081613 946584357 /nfs/dbraw/zinc/58/43/57/946584357.db2.gz IXNZJPRXWONOMT-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCC[N@H+](C2CCN(C3CC3)CC2)C1 ZINC001256081613 946584362 /nfs/dbraw/zinc/58/43/62/946584362.db2.gz IXNZJPRXWONOMT-CQSZACIVSA-N 1 3 308.470 0.755 20 0 DCADHO C[NH+]1CCC(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)CC1 ZINC001256205232 946594188 /nfs/dbraw/zinc/59/41/88/946594188.db2.gz XOVQCLZUZHALAY-HOTGVXAUSA-N 1 3 317.437 0.708 20 0 DCADHO [NH3+][C@@H](CO)Cc1cncn1C1CCC(N2CCOCC2)CC1 ZINC001256681770 946652505 /nfs/dbraw/zinc/65/25/05/946652505.db2.gz BWWAIXYWCYGRSC-WLYUNCDWSA-N 1 3 308.426 0.561 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)CC[N@H+](C)CC)N(C)C ZINC001410661759 946729510 /nfs/dbraw/zinc/72/95/10/946729510.db2.gz ZQSSOBPJMCKPKP-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC)N(C)C ZINC001410661759 946729519 /nfs/dbraw/zinc/72/95/19/946729519.db2.gz ZQSSOBPJMCKPKP-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CC1CCCCC1 ZINC001410780874 946927504 /nfs/dbraw/zinc/92/75/04/946927504.db2.gz JMEQQKDZWNSCKU-CQSZACIVSA-N 1 3 308.426 0.908 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001410851523 947028675 /nfs/dbraw/zinc/02/86/75/947028675.db2.gz ATXCMNYYZFUHST-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCn1cccn1 ZINC001493020790 947029837 /nfs/dbraw/zinc/02/98/37/947029837.db2.gz HFVMQAIJSFMEDD-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCn1cccn1 ZINC001493020790 947029848 /nfs/dbraw/zinc/02/98/48/947029848.db2.gz HFVMQAIJSFMEDD-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001410859777 947041777 /nfs/dbraw/zinc/04/17/77/947041777.db2.gz MESVYSTVSCYAAD-WCQYABFASA-N 1 3 320.441 0.534 20 0 DCADHO COC(=O)[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273414700 947226641 /nfs/dbraw/zinc/22/66/41/947226641.db2.gz HBHRUVMFUDFKGS-XJKSGUPXSA-N 1 3 311.426 0.282 20 0 DCADHO COC(=O)[C@@H](C)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273414700 947226650 /nfs/dbraw/zinc/22/66/50/947226650.db2.gz HBHRUVMFUDFKGS-XJKSGUPXSA-N 1 3 311.426 0.282 20 0 DCADHO CC[C@@H](F)CNC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001411074949 947298827 /nfs/dbraw/zinc/29/88/27/947298827.db2.gz IVEKFILGOUBNCP-ZIAGYGMSSA-N 1 3 303.422 0.485 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C)C(N)=O ZINC001411225903 947513081 /nfs/dbraw/zinc/51/30/81/947513081.db2.gz SJFILDVUGYTJQT-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262064328 947545882 /nfs/dbraw/zinc/54/58/82/947545882.db2.gz XYRKGIWTYRCZCO-RQJABVFESA-N 1 3 310.442 0.077 20 0 DCADHO CN1CC[C@H](NCCNC(=O)c2ccc(C[NH+](C)C)cc2)C1=O ZINC001135337227 947663297 /nfs/dbraw/zinc/66/32/97/947663297.db2.gz WZFYVDSEJXIQPM-HNNXBMFYSA-N 1 3 318.421 0.298 20 0 DCADHO CCS(=O)(=O)N1CCC(CN[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246363288 947690354 /nfs/dbraw/zinc/69/03/54/947690354.db2.gz CKWQKJCESBCASH-GXTWGEPZSA-N 1 3 303.472 0.778 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC001325386118 947774883 /nfs/dbraw/zinc/77/48/83/947774883.db2.gz PATWANUDJNRUET-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1cc([C@@H](N)CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)cc(Cl)n1 ZINC001263155758 947815042 /nfs/dbraw/zinc/81/50/42/947815042.db2.gz FHVCCNMNOYMFBB-NEPJUHHUSA-N 1 3 324.812 0.680 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325514093 947823076 /nfs/dbraw/zinc/82/30/76/947823076.db2.gz ZPLQPWFRIJLFOU-RRFJBIMHSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001179475915 947848253 /nfs/dbraw/zinc/84/82/53/947848253.db2.gz CRXYBWOXEOSAFW-WFASDCNBSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCOCCOC)C1 ZINC001193640190 948011917 /nfs/dbraw/zinc/01/19/17/948011917.db2.gz DMYLZJSCYGAQHC-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCOCCOC)C1 ZINC001193640190 948011925 /nfs/dbraw/zinc/01/19/25/948011925.db2.gz DMYLZJSCYGAQHC-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273703434 948033061 /nfs/dbraw/zinc/03/30/61/948033061.db2.gz HMQCDXYWWFDGCG-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1=O ZINC001273785657 948093699 /nfs/dbraw/zinc/09/36/99/948093699.db2.gz VWRDLJUSMCPLJM-MRXNPFEDSA-N 1 3 305.426 0.369 20 0 DCADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1=O ZINC001273785657 948093707 /nfs/dbraw/zinc/09/37/07/948093707.db2.gz VWRDLJUSMCPLJM-MRXNPFEDSA-N 1 3 305.426 0.369 20 0 DCADHO C[NH2+]C1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC001326882130 948316261 /nfs/dbraw/zinc/31/62/61/948316261.db2.gz CCRMGUZYPCJOGJ-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](CNCCF)C1)[NH+]1CCCC1 ZINC001327082638 948390258 /nfs/dbraw/zinc/39/02/58/948390258.db2.gz WARSGZIHBPXSBV-GJZGRUSLSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)OCCN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273852422 948568384 /nfs/dbraw/zinc/56/83/84/948568384.db2.gz GHVIQORDEDLEGV-MRXNPFEDSA-N 1 3 313.442 0.276 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1C ZINC001328383556 948867729 /nfs/dbraw/zinc/86/77/29/948867729.db2.gz BSITWZYOPBETEW-ZIAGYGMSSA-N 1 3 312.458 0.053 20 0 DCADHO C[NH+]1CCC(C(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)CC1 ZINC001265174686 949408000 /nfs/dbraw/zinc/40/80/00/949408000.db2.gz GNFCVWAWOAPKMA-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]CCF ZINC001489017646 949434136 /nfs/dbraw/zinc/43/41/36/949434136.db2.gz ZNNBIHIBRWTWBE-RBSFLKMASA-N 1 3 315.433 0.751 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001489745192 949982226 /nfs/dbraw/zinc/98/22/26/949982226.db2.gz DXELSABTEJOROO-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001489745192 949982245 /nfs/dbraw/zinc/98/22/45/949982245.db2.gz DXELSABTEJOROO-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001265873236 950072953 /nfs/dbraw/zinc/07/29/53/950072953.db2.gz PXEAWTNKFRPQLS-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCOCCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001330427007 950385575 /nfs/dbraw/zinc/38/55/75/950385575.db2.gz IGFYPLIWCGIJEI-UKRRQHHQSA-N 1 3 324.425 0.584 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC(=O)NC ZINC001490308824 950547363 /nfs/dbraw/zinc/54/73/63/950547363.db2.gz FVQJMVVKNMZSBZ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC1=CC[N@H+](C[C@@H](C)O)CC1 ZINC001279573824 950631298 /nfs/dbraw/zinc/63/12/98/950631298.db2.gz ILGIEWOLYILYNP-UKRRQHHQSA-N 1 3 315.433 0.795 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCC1=CC[N@@H+](C[C@@H](C)O)CC1 ZINC001279573824 950631307 /nfs/dbraw/zinc/63/13/07/950631307.db2.gz ILGIEWOLYILYNP-UKRRQHHQSA-N 1 3 315.433 0.795 20 0 DCADHO Cn1cncc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001280152875 950777878 /nfs/dbraw/zinc/77/78/78/950777878.db2.gz NRZUMMHWZNYHHC-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001490705400 951017882 /nfs/dbraw/zinc/01/78/82/951017882.db2.gz MIKFAVCBAXKVNW-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001490711533 951029156 /nfs/dbraw/zinc/02/91/56/951029156.db2.gz ZFMBIJZWPPHWQT-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490734360 951062534 /nfs/dbraw/zinc/06/25/34/951062534.db2.gz AACAKMDPGLMQLH-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490734360 951062546 /nfs/dbraw/zinc/06/25/46/951062546.db2.gz AACAKMDPGLMQLH-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001331600019 951189334 /nfs/dbraw/zinc/18/93/34/951189334.db2.gz GQAXEFUXQZLPMW-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001365827072 951590649 /nfs/dbraw/zinc/59/06/49/951590649.db2.gz QFLAIURCKFLHGD-MJBXVCDLSA-N 1 3 312.458 0.336 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001365858317 951620743 /nfs/dbraw/zinc/62/07/43/951620743.db2.gz OCKDQIWHLQSJMH-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO CCOC[C@H](O)CN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274565695 951701521 /nfs/dbraw/zinc/70/15/21/951701521.db2.gz MGGGBZCLHXHJLK-GDBMZVCRSA-N 1 3 313.442 0.012 20 0 DCADHO Cc1ncc(CN2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)[nH]1 ZINC001274576430 951708918 /nfs/dbraw/zinc/70/89/18/951708918.db2.gz NLSFBMWFTDQIAL-MRXNPFEDSA-N 1 3 321.425 0.083 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNC(=O)[C@H](C(C)C)N(C)C ZINC001292868668 951846962 /nfs/dbraw/zinc/84/69/62/951846962.db2.gz JSGMLVZDQZFJOM-ZDUSSCGKSA-N 1 3 314.474 0.535 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNC(=O)[C@H](C(C)C)N(C)C ZINC001292868668 951846970 /nfs/dbraw/zinc/84/69/70/951846970.db2.gz JSGMLVZDQZFJOM-ZDUSSCGKSA-N 1 3 314.474 0.535 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCC(=O)N1)C2 ZINC001275188640 951991229 /nfs/dbraw/zinc/99/12/29/951991229.db2.gz OTAAKCPDDLZSJB-RDJZCZTQSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCC(=O)N1)C2 ZINC001275188640 951991233 /nfs/dbraw/zinc/99/12/33/951991233.db2.gz OTAAKCPDDLZSJB-RDJZCZTQSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC001333945071 952205998 /nfs/dbraw/zinc/20/59/98/952205998.db2.gz VWMPSMJTQVRXNY-IHRRRGAJSA-N 1 3 310.442 0.077 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001334072840 952236031 /nfs/dbraw/zinc/23/60/31/952236031.db2.gz RLQODFGCWHKWRO-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(NCCCNC[C@H](O)C[NH+]1CCCC1)c1cccs1 ZINC001335952393 952624742 /nfs/dbraw/zinc/62/47/42/952624742.db2.gz WLBOIEVZGOTWKP-ZDUSSCGKSA-N 1 3 311.451 0.914 20 0 DCADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001335986270 952629127 /nfs/dbraw/zinc/62/91/27/952629127.db2.gz MBPVUVGKKOCYLD-FUHWJXTLSA-N 1 3 324.513 0.591 20 0 DCADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001335986270 952629128 /nfs/dbraw/zinc/62/91/28/952629128.db2.gz MBPVUVGKKOCYLD-FUHWJXTLSA-N 1 3 324.513 0.591 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CC4(COC4)CC3=O)C[C@H]2C1 ZINC001336267509 952668818 /nfs/dbraw/zinc/66/88/18/952668818.db2.gz IRPLXQQVUCLFFR-RRFJBIMHSA-N 1 3 307.438 0.855 20 0 DCADHO CN1CC[NH+](C2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)CC1 ZINC001336807721 952768289 /nfs/dbraw/zinc/76/82/89/952768289.db2.gz KEBGOKCXNNMVRX-HDICACEKSA-N 1 3 322.497 0.561 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001276071818 952888968 /nfs/dbraw/zinc/88/89/68/952888968.db2.gz UVXSBSFYAVGLIV-OAHLLOKOSA-N 1 3 322.453 0.664 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2CC1 ZINC001276281171 953047454 /nfs/dbraw/zinc/04/74/54/953047454.db2.gz AHYWLWUIZLKNCC-GASCZTMLSA-N 1 3 319.453 0.652 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2CC1 ZINC001276281171 953047458 /nfs/dbraw/zinc/04/74/58/953047458.db2.gz AHYWLWUIZLKNCC-GASCZTMLSA-N 1 3 319.453 0.652 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001365919518 953410446 /nfs/dbraw/zinc/41/04/46/953410446.db2.gz DTYODLUTOHSSSG-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cc(CN2[C@@H]3CC[C@H]2CC(NC(=O)CC[NH+](C)C)C3)cn1 ZINC001366135060 953727744 /nfs/dbraw/zinc/72/77/44/953727744.db2.gz OOUHQXVTCOYIJI-MQVJKMGUSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001366170098 953772078 /nfs/dbraw/zinc/77/20/78/953772078.db2.gz NDACHDPVTMRJJW-ZNMIVQPWSA-N 1 3 307.442 0.743 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001366214123 953833921 /nfs/dbraw/zinc/83/39/21/953833921.db2.gz KLVXFJRUPILLNQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001366329786 954030894 /nfs/dbraw/zinc/03/08/94/954030894.db2.gz NEAFHMZOAQXHGA-ZFWWWQNUSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001366329786 954030908 /nfs/dbraw/zinc/03/09/08/954030908.db2.gz NEAFHMZOAQXHGA-ZFWWWQNUSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCCC1 ZINC001366359220 954092609 /nfs/dbraw/zinc/09/26/09/954092609.db2.gz RMERSNSKPMEKQG-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCCC1 ZINC001366359220 954092623 /nfs/dbraw/zinc/09/26/23/954092623.db2.gz RMERSNSKPMEKQG-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO COc1cc(CN[C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001446942237 1013121872 /nfs/dbraw/zinc/12/18/72/1013121872.db2.gz QTFNQEJEQVQKMX-QWHCGFSZSA-N 1 3 324.425 0.962 20 0 DCADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001366571369 954439240 /nfs/dbraw/zinc/43/92/40/954439240.db2.gz QXZQZWOECNUFFU-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[N@H+](C)C1CCCCC1)C(N)=O ZINC001366767489 954805357 /nfs/dbraw/zinc/80/53/57/954805357.db2.gz JHNLMCHICUHILU-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1)C(N)=O ZINC001366767489 954805370 /nfs/dbraw/zinc/80/53/70/954805370.db2.gz JHNLMCHICUHILU-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO CN(CCN[C@H]1CCN(C2CCC2)C1=O)C(=O)CC[NH+](C)C ZINC001366778938 954835956 /nfs/dbraw/zinc/83/59/56/954835956.db2.gz WDUIFHXCLNIJEK-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366833228 954905909 /nfs/dbraw/zinc/90/59/09/954905909.db2.gz JFZWCCVITOXEOM-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C(=O)N(C)CCN1CC[NH+](CC2CC2)CC1)N(C)C ZINC001366866232 954962925 /nfs/dbraw/zinc/96/29/25/954962925.db2.gz ZURPAUHTJRLQOU-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO CN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CCN(CCCO)C1 ZINC001367053897 955266406 /nfs/dbraw/zinc/26/64/06/955266406.db2.gz PRARNTVHRAUGKT-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NCc1nccn1C ZINC001367109336 955326026 /nfs/dbraw/zinc/32/60/26/955326026.db2.gz XLROEWQFZNZOLA-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)NCc1nccn1C ZINC001367109336 955326038 /nfs/dbraw/zinc/32/60/38/955326038.db2.gz XLROEWQFZNZOLA-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001367130201 955367482 /nfs/dbraw/zinc/36/74/82/955367482.db2.gz FMRWWAGMZSYLQQ-LSDHHAIUSA-N 1 3 322.453 0.710 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@](C)(NC(=O)CN(C)C(C)C)C1CC1 ZINC001367175667 955432041 /nfs/dbraw/zinc/43/20/41/955432041.db2.gz ASUYZYOBGVJLQL-MLGOLLRUSA-N 1 3 312.458 0.336 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001367182390 955437843 /nfs/dbraw/zinc/43/78/43/955437843.db2.gz HIKPZUCLBKIVIK-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001367217062 955469559 /nfs/dbraw/zinc/46/95/59/955469559.db2.gz NPPIGTRVBFAEQV-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001367225089 955482091 /nfs/dbraw/zinc/48/20/91/955482091.db2.gz ATFZQVYOOVXKQE-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001285575009 955808322 /nfs/dbraw/zinc/80/83/22/955808322.db2.gz MRYPZBGPMNAVIF-LQYUOIDQSA-N 1 3 324.469 0.601 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001285601726 955828128 /nfs/dbraw/zinc/82/81/28/955828128.db2.gz CVWWENQAXYYYMW-SNAWJCMRSA-N 1 3 307.398 0.001 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530410 956130061 /nfs/dbraw/zinc/13/00/61/956130061.db2.gz GJSGZWUYOJAWGQ-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC001356454359 956869891 /nfs/dbraw/zinc/86/98/91/956869891.db2.gz JHROONSRJNIDAO-ZIAGYGMSSA-N 1 3 324.469 0.468 20 0 DCADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC001356489497 956884377 /nfs/dbraw/zinc/88/43/77/956884377.db2.gz ZROIPPATARPYDB-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC001292813255 957159773 /nfs/dbraw/zinc/15/97/73/957159773.db2.gz UWMDZAAVBHZBJB-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC001292813255 957159778 /nfs/dbraw/zinc/15/97/78/957159778.db2.gz UWMDZAAVBHZBJB-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001367405000 957776982 /nfs/dbraw/zinc/77/69/82/957776982.db2.gz MRHYGGQWWNBPQX-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCCN(CCCO)C1 ZINC001367478028 957867083 /nfs/dbraw/zinc/86/70/83/957867083.db2.gz CYCNYZJFLNHPSQ-OWCLPIDISA-N 1 3 324.469 0.759 20 0 DCADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@H]1CCCN(CCCO)C1 ZINC001367478028 957867089 /nfs/dbraw/zinc/86/70/89/957867089.db2.gz CYCNYZJFLNHPSQ-OWCLPIDISA-N 1 3 324.469 0.759 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001367620927 958198016 /nfs/dbraw/zinc/19/80/16/958198016.db2.gz RVKDBADUZZMLAT-GJZGRUSLSA-N 1 3 311.470 0.974 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001367640216 958245759 /nfs/dbraw/zinc/24/57/59/958245759.db2.gz BRBOWTMYGAFDCE-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)c1cc2c(o1)CCCC2 ZINC001367673950 958329934 /nfs/dbraw/zinc/32/99/34/958329934.db2.gz JUORYUYUOAJCDA-ZYHUDNBSSA-N 1 3 305.378 0.755 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C[C@H]2CCC(=O)NC2)ncn1 ZINC001367673851 958330625 /nfs/dbraw/zinc/33/06/25/958330625.db2.gz JCXXDZLFHCISAF-CHWSQXEVSA-N 1 3 319.409 0.296 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)CC ZINC001367673708 958330727 /nfs/dbraw/zinc/33/07/27/958330727.db2.gz HGHNZDHYRLZGTH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)CC ZINC001367673708 958330742 /nfs/dbraw/zinc/33/07/42/958330742.db2.gz HGHNZDHYRLZGTH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCS(=O)(=O)NCC(=O)N[C@H](C)C[NH2+]Cc1ccsc1 ZINC001367673454 958332769 /nfs/dbraw/zinc/33/27/69/958332769.db2.gz CXUFXKVGTUDEFN-SNVBAGLBSA-N 1 3 319.452 0.282 20 0 DCADHO C[C@H](C[NH2+]C[C@@H]1CCc2ncnn21)NC(=O)C1(N(C)C)CCC1 ZINC001367673885 958332932 /nfs/dbraw/zinc/33/29/32/958332932.db2.gz JKOOWELVIZGUDD-OLZOCXBDSA-N 1 3 320.441 0.344 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001298497825 958625396 /nfs/dbraw/zinc/62/53/96/958625396.db2.gz UOIBTLGACWBPQE-YOVCOIKASA-N 1 3 324.469 0.455 20 0 DCADHO Cc1nccn1CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001362074267 958692967 /nfs/dbraw/zinc/69/29/67/958692967.db2.gz NTSMPOIHCMCBGW-CQSZACIVSA-N 1 3 305.426 0.476 20 0 DCADHO Cc1nccn1CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001362074267 958692978 /nfs/dbraw/zinc/69/29/78/958692978.db2.gz NTSMPOIHCMCBGW-CQSZACIVSA-N 1 3 305.426 0.476 20 0 DCADHO Cc1nccn1CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001362074267 958692991 /nfs/dbraw/zinc/69/29/91/958692991.db2.gz NTSMPOIHCMCBGW-CQSZACIVSA-N 1 3 305.426 0.476 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccnn1C)C1CC1)N(C)C ZINC001367918771 958861679 /nfs/dbraw/zinc/86/16/79/958861679.db2.gz IAKYYFVQLORMLO-HUUCEWRRSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCCNC1=O ZINC001491578782 958870648 /nfs/dbraw/zinc/87/06/48/958870648.db2.gz HICJISGNBCKDQU-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001376810868 958898263 /nfs/dbraw/zinc/89/82/63/958898263.db2.gz PFUFTECZEACCKO-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001376810868 958898281 /nfs/dbraw/zinc/89/82/81/958898281.db2.gz PFUFTECZEACCKO-CYBMUJFWSA-N 1 3 305.426 0.500 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001376901627 959100015 /nfs/dbraw/zinc/10/00/15/959100015.db2.gz SBHGJLWCYKQEMH-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001368090378 959217690 /nfs/dbraw/zinc/21/76/90/959217690.db2.gz CGTSKAPHKHOCSJ-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368118664 959278377 /nfs/dbraw/zinc/27/83/77/959278377.db2.gz RKNWAZBXHFPOQR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001368118664 959278393 /nfs/dbraw/zinc/27/83/93/959278393.db2.gz RKNWAZBXHFPOQR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCN(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001362449110 959376124 /nfs/dbraw/zinc/37/61/24/959376124.db2.gz HLTCPMSIDWAKNE-MQVJKMGUSA-N 1 3 308.470 0.755 20 0 DCADHO CCN1CCN(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001362449110 959376140 /nfs/dbraw/zinc/37/61/40/959376140.db2.gz HLTCPMSIDWAKNE-MQVJKMGUSA-N 1 3 308.470 0.755 20 0 DCADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCOC(C)C)C1)N(C)C ZINC001368264009 959561150 /nfs/dbraw/zinc/56/11/50/959561150.db2.gz VFYCDHOWDYYKNV-GOEBONIOSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCOC(C)C)C1)N(C)C ZINC001368264009 959561164 /nfs/dbraw/zinc/56/11/64/959561164.db2.gz VFYCDHOWDYYKNV-GOEBONIOSA-N 1 3 315.458 0.305 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)nn1C ZINC001492128596 959611527 /nfs/dbraw/zinc/61/15/27/959611527.db2.gz YGUDVGQJTHBXLI-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1C ZINC001492128596 959611535 /nfs/dbraw/zinc/61/15/35/959611535.db2.gz YGUDVGQJTHBXLI-JSGCOSHPSA-N 1 3 307.442 0.665 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001368355003 959718409 /nfs/dbraw/zinc/71/84/09/959718409.db2.gz YQDYCTPYRUJYBI-KGLIPLIRSA-N 1 3 312.458 0.148 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001377264890 959823064 /nfs/dbraw/zinc/82/30/64/959823064.db2.gz ANTUOYAWTDMPQV-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCN2CCCC2=O)CCC1)N(C)C ZINC001368475670 959916788 /nfs/dbraw/zinc/91/67/88/959916788.db2.gz JYQVEFDAJQWMFG-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NCC(=O)N2CCC2)CCC1)[NH+](C)C ZINC001368484495 959930027 /nfs/dbraw/zinc/93/00/27/959930027.db2.gz HUSORQRJFCWYEA-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC2CC2)CCC1)N(C)C ZINC001368497321 959942479 /nfs/dbraw/zinc/94/24/79/959942479.db2.gz XAJBMZOMXKCDJY-ZDUSSCGKSA-N 1 3 310.442 0.234 20 0 DCADHO Cc1oncc1CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377355370 959969488 /nfs/dbraw/zinc/96/94/88/959969488.db2.gz GSAZBPNTQBOHOG-UHFFFAOYSA-N 1 3 324.425 0.378 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001368610114 960084775 /nfs/dbraw/zinc/08/47/75/960084775.db2.gz SJWOXHDDXGBLNO-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]C[C@@H](C)OC)CCOCC1)N(C)C ZINC001368634067 960109845 /nfs/dbraw/zinc/10/98/45/960109845.db2.gz ANLMAFZIXVXNRD-KGLIPLIRSA-N 1 3 315.458 0.617 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001368670693 960143544 /nfs/dbraw/zinc/14/35/44/960143544.db2.gz YCNHFUAMPZBOTE-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001368670693 960143551 /nfs/dbraw/zinc/14/35/51/960143551.db2.gz YCNHFUAMPZBOTE-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cncn1C)N(C)C ZINC001377485380 960173070 /nfs/dbraw/zinc/17/30/70/960173070.db2.gz XCMDWHYFRRHKSQ-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001368752843 960228866 /nfs/dbraw/zinc/22/88/66/960228866.db2.gz FDKYMNXDUSNWDM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N(C)C)N(C)C ZINC001377613120 960352970 /nfs/dbraw/zinc/35/29/70/960352970.db2.gz KQXQTDBPDOESPF-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001377633377 960377320 /nfs/dbraw/zinc/37/73/20/960377320.db2.gz QOXBCVHWPGYKAQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001316825506 960397512 /nfs/dbraw/zinc/39/75/12/960397512.db2.gz RSXRIVUGMCXYPJ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001316825506 960397520 /nfs/dbraw/zinc/39/75/20/960397520.db2.gz RSXRIVUGMCXYPJ-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)NCC(N)=O ZINC001378339249 960614908 /nfs/dbraw/zinc/61/49/08/960614908.db2.gz LHMVPJMWDXNQIJ-DZGCQCFKSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)[C@H](C)NCC(N)=O ZINC001377813920 960718857 /nfs/dbraw/zinc/71/88/57/960718857.db2.gz IPRBKIMCQZTOIN-QWHCGFSZSA-N 1 3 320.437 0.372 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377833826 960765037 /nfs/dbraw/zinc/76/50/37/960765037.db2.gz JUXCVWVSFQBMGT-CHWSQXEVSA-N 1 3 322.457 0.672 20 0 DCADHO NC(=O)c1ccc(CN[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)cc1 ZINC001548967794 1013208695 /nfs/dbraw/zinc/20/86/95/1013208695.db2.gz WVPLHKIOVWOSFR-ARFHVFGLSA-N 1 3 303.406 0.863 20 0 DCADHO NC(=O)c1ccc(CN[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)cc1 ZINC001548967794 1013208705 /nfs/dbraw/zinc/20/87/05/1013208705.db2.gz WVPLHKIOVWOSFR-ARFHVFGLSA-N 1 3 303.406 0.863 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001378516552 960914789 /nfs/dbraw/zinc/91/47/89/960914789.db2.gz YEOZQLSVAOOECS-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001377910678 960958331 /nfs/dbraw/zinc/95/83/31/960958331.db2.gz NHDVPMWBSGNOHR-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1nccnc1C)N(C)C ZINC001378619272 961139586 /nfs/dbraw/zinc/13/95/86/961139586.db2.gz ZKXGAHOAVYXGAV-WFASDCNBSA-N 1 3 307.442 0.967 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)c3cccc(C[NH3+])c3)C2)nn1 ZINC001549047147 1013248459 /nfs/dbraw/zinc/24/84/59/1013248459.db2.gz MAPGZIYZSQTUFG-OAHLLOKOSA-N 1 3 314.393 0.673 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001378752064 961402062 /nfs/dbraw/zinc/40/20/62/961402062.db2.gz OUILGZCVPHVUPA-ZQDZILKHSA-N 1 3 324.469 0.097 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001378752064 961402070 /nfs/dbraw/zinc/40/20/70/961402070.db2.gz OUILGZCVPHVUPA-ZQDZILKHSA-N 1 3 324.469 0.097 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001378788394 961480126 /nfs/dbraw/zinc/48/01/26/961480126.db2.gz KOKJVWWBEVVZGP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001378788394 961480132 /nfs/dbraw/zinc/48/01/32/961480132.db2.gz KOKJVWWBEVVZGP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCc1nc([C@@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001378806640 961516467 /nfs/dbraw/zinc/51/64/67/961516467.db2.gz FODKYRICCJJDMO-NWDGAFQWSA-N 1 3 310.446 0.816 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001378809009 961517367 /nfs/dbraw/zinc/51/73/67/961517367.db2.gz JKIAFZSTUGKEJA-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCc1nc([C@@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001378806642 961519215 /nfs/dbraw/zinc/51/92/15/961519215.db2.gz FODKYRICCJJDMO-VXGBXAGGSA-N 1 3 310.446 0.816 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001378844149 961587470 /nfs/dbraw/zinc/58/74/70/961587470.db2.gz LHWUHWKAVYUOGU-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO COC[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001378920084 961711521 /nfs/dbraw/zinc/71/15/21/961711521.db2.gz HVAOEOUANHQARW-HUUCEWRRSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001378920084 961711533 /nfs/dbraw/zinc/71/15/33/961711533.db2.gz HVAOEOUANHQARW-HUUCEWRRSA-N 1 3 313.442 0.011 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001379765469 961977789 /nfs/dbraw/zinc/97/77/89/961977789.db2.gz HPBYTFYOCCYFKV-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001379765469 961977805 /nfs/dbraw/zinc/97/78/05/961977805.db2.gz HPBYTFYOCCYFKV-GOEBONIOSA-N 1 3 323.485 0.985 20 0 DCADHO CC[C@@H](F)CNC[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379812094 962075538 /nfs/dbraw/zinc/07/55/38/962075538.db2.gz VWJGFSMHEQPDNV-KGLIPLIRSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001379151495 962206358 /nfs/dbraw/zinc/20/63/58/962206358.db2.gz VDJRUYZJHXWTRP-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001379151500 962209040 /nfs/dbraw/zinc/20/90/40/962209040.db2.gz VDJRUYZJHXWTRP-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001379913370 962280052 /nfs/dbraw/zinc/28/00/52/962280052.db2.gz DGDUFYZNJAXRQU-JSGCOSHPSA-N 1 3 320.441 0.439 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001379913370 962280069 /nfs/dbraw/zinc/28/00/69/962280069.db2.gz DGDUFYZNJAXRQU-JSGCOSHPSA-N 1 3 320.441 0.439 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)NCC(N)=O ZINC001379262305 962493134 /nfs/dbraw/zinc/49/31/34/962493134.db2.gz ILAANRFOWNDCGM-LBPRGKRZSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C(C)(C)C ZINC001380097213 962664545 /nfs/dbraw/zinc/66/45/45/962664545.db2.gz WEZBRWJBOBKGMK-STQMWFEESA-N 1 3 312.458 0.336 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@@H]21 ZINC001364223122 962699417 /nfs/dbraw/zinc/69/94/17/962699417.db2.gz YAPDURGKDRXDDX-QPSCCSFWSA-N 1 3 308.426 0.195 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@@H]21 ZINC001364223122 962699433 /nfs/dbraw/zinc/69/94/33/962699433.db2.gz YAPDURGKDRXDDX-QPSCCSFWSA-N 1 3 308.426 0.195 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001380155487 962784245 /nfs/dbraw/zinc/78/42/45/962784245.db2.gz BEAPQDZHSXRFHE-XUJLQICISA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001380289786 963000497 /nfs/dbraw/zinc/00/04/97/963000497.db2.gz YEOZQLSVAOOECS-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CCCCC2)C1 ZINC001379480235 963021857 /nfs/dbraw/zinc/02/18/57/963021857.db2.gz RVJGBSHBGMWEJP-ZBFHGGJFSA-N 1 3 311.470 0.975 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCc2ccc(F)cc2)C1 ZINC001379505384 963084990 /nfs/dbraw/zinc/08/49/90/963084990.db2.gz NUDAMUOJXJDOKJ-GOEBONIOSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)NCc2ccc(F)cc2)C1 ZINC001379505384 963084999 /nfs/dbraw/zinc/08/49/99/963084999.db2.gz NUDAMUOJXJDOKJ-GOEBONIOSA-N 1 3 323.412 0.734 20 0 DCADHO CCCC[C@H](C(N)=O)N1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380378224 963128174 /nfs/dbraw/zinc/12/81/74/963128174.db2.gz PJGPJEGTWPPDGE-PBHICJAKSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001379555148 963175741 /nfs/dbraw/zinc/17/57/41/963175741.db2.gz ZJFVPJYNMBAWER-IHRRRGAJSA-N 1 3 314.474 0.676 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001380416649 963176290 /nfs/dbraw/zinc/17/62/90/963176290.db2.gz BLLKMWGVRFEXRE-CZUORRHYSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCc2cnn(C)c2)CCC1 ZINC001380903260 963669911 /nfs/dbraw/zinc/66/99/11/963669911.db2.gz SCLNKWSSSCPQDR-UHFFFAOYSA-N 1 3 321.469 0.931 20 0 DCADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001380920009 963682029 /nfs/dbraw/zinc/68/20/29/963682029.db2.gz UASHZORVGYOLPN-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(C)(NCc2nnc(C)[nH]2)CC1 ZINC001381133005 963834887 /nfs/dbraw/zinc/83/48/87/963834887.db2.gz YNFOPQRHHQWXIK-UHFFFAOYSA-N 1 3 322.457 0.926 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(C)(NCc2nnc(C)[nH]2)CC1 ZINC001381133005 963834890 /nfs/dbraw/zinc/83/48/90/963834890.db2.gz YNFOPQRHHQWXIK-UHFFFAOYSA-N 1 3 322.457 0.926 20 0 DCADHO Cc1nccnc1C[NH2+][C@@H](C)CCNC(=O)CN1CCCC1 ZINC001381230551 963908257 /nfs/dbraw/zinc/90/82/57/963908257.db2.gz OYRBWMUTVDLGEB-ZDUSSCGKSA-N 1 3 305.426 0.865 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](O)COC)N(C)C ZINC001381297236 963952449 /nfs/dbraw/zinc/95/24/49/963952449.db2.gz IHXQSRBDZMEQNP-ILXRZTDVSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@H](O)COC)N(C)C ZINC001381297236 963952452 /nfs/dbraw/zinc/95/24/52/963952452.db2.gz IHXQSRBDZMEQNP-ILXRZTDVSA-N 1 3 315.458 0.257 20 0 DCADHO COCCN(C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001375130259 964023235 /nfs/dbraw/zinc/02/32/35/964023235.db2.gz ADLLPQDZEQQAJF-CYBMUJFWSA-N 1 3 301.431 0.180 20 0 DCADHO Cc1ncc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cn1 ZINC001447543298 1013467574 /nfs/dbraw/zinc/46/75/74/1013467574.db2.gz OIZCCJLSDKNKJK-WFASDCNBSA-N 1 3 305.426 0.673 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CCc3cnn(C)c3)CC2)CCC1 ZINC001375430325 964392344 /nfs/dbraw/zinc/39/23/44/964392344.db2.gz YIJRHQRCKMWKDU-UHFFFAOYSA-N 1 3 319.453 0.685 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001375575041 964567325 /nfs/dbraw/zinc/56/73/25/964567325.db2.gz INHJCVDHBQVKNK-GZBFAFLISA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)N(C)C)[NH+](C)C ZINC001369255852 964608728 /nfs/dbraw/zinc/60/87/28/964608728.db2.gz NUWYKCYTQGUZJM-JSGCOSHPSA-N 1 3 300.447 0.097 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001373794434 964641372 /nfs/dbraw/zinc/64/13/72/964641372.db2.gz XWHPIJDUCUGLMG-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001373797442 964644532 /nfs/dbraw/zinc/64/45/32/964644532.db2.gz LZRDRSNFQYLNPV-NHYWBVRUSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001373797442 964644538 /nfs/dbraw/zinc/64/45/38/964644538.db2.gz LZRDRSNFQYLNPV-NHYWBVRUSA-N 1 3 316.421 0.169 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001373827006 964687436 /nfs/dbraw/zinc/68/74/36/964687436.db2.gz WIXMYUAMLTXTMN-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001373827006 964687441 /nfs/dbraw/zinc/68/74/41/964687441.db2.gz WIXMYUAMLTXTMN-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)[C@@H]1C ZINC001375693839 964723971 /nfs/dbraw/zinc/72/39/71/964723971.db2.gz CSCPEKGJQZUONC-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)[C@@H]1C ZINC001375693839 964723982 /nfs/dbraw/zinc/72/39/82/964723982.db2.gz CSCPEKGJQZUONC-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO CNC(=O)CNC[C@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001373877605 964745220 /nfs/dbraw/zinc/74/52/20/964745220.db2.gz IUWABCCODFMEFA-PBHICJAKSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001373877605 964745225 /nfs/dbraw/zinc/74/52/25/964745225.db2.gz IUWABCCODFMEFA-PBHICJAKSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1cccc(CN[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001369348984 964797986 /nfs/dbraw/zinc/79/79/86/964797986.db2.gz OYRVMWOXZSCNKQ-KRWDZBQOSA-N 1 3 319.449 0.904 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001375768580 964817603 /nfs/dbraw/zinc/81/76/03/964817603.db2.gz URMSILKRLDYZRC-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001373969370 964833135 /nfs/dbraw/zinc/83/31/35/964833135.db2.gz DIOWIMLINYQAPU-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001373969370 964833141 /nfs/dbraw/zinc/83/31/41/964833141.db2.gz DIOWIMLINYQAPU-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CC[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)C1=O ZINC001375791138 964841328 /nfs/dbraw/zinc/84/13/28/964841328.db2.gz DTJXPHTWNUOREY-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375876305 964952828 /nfs/dbraw/zinc/95/28/28/964952828.db2.gz XZBHLBVVSCHZQU-CZUORRHYSA-N 1 3 324.469 0.433 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369516992 965125271 /nfs/dbraw/zinc/12/52/71/965125271.db2.gz UOQNUGGKGQWHNG-SJORKVTESA-N 1 3 319.449 0.889 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369516992 965125277 /nfs/dbraw/zinc/12/52/77/965125277.db2.gz UOQNUGGKGQWHNG-SJORKVTESA-N 1 3 319.449 0.889 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001376107437 965200921 /nfs/dbraw/zinc/20/09/21/965200921.db2.gz QNGCSWACNBUAOF-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001376107437 965200929 /nfs/dbraw/zinc/20/09/29/965200929.db2.gz QNGCSWACNBUAOF-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001376326607 965524097 /nfs/dbraw/zinc/52/40/97/965524097.db2.gz VHHDAWZWPHQTLU-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001376326607 965524112 /nfs/dbraw/zinc/52/41/12/965524112.db2.gz VHHDAWZWPHQTLU-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)NC1CC1 ZINC001376396508 965608009 /nfs/dbraw/zinc/60/80/09/965608009.db2.gz KFKABMQDKIOTIQ-AYRXBEOTSA-N 1 3 322.453 0.232 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001376492637 965732547 /nfs/dbraw/zinc/73/25/47/965732547.db2.gz DVQMKMRBFYABCJ-QLFBSQMISA-N 1 3 324.469 0.574 20 0 DCADHO O=C(N[C@]1(CO)CCCN(CCCF)C1)C12CC[NH+](CC1)C2 ZINC001376494823 965735709 /nfs/dbraw/zinc/73/57/09/965735709.db2.gz BPGCNQYNPFYABP-MRXNPFEDSA-N 1 3 313.417 0.385 20 0 DCADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001374703826 965783670 /nfs/dbraw/zinc/78/36/70/965783670.db2.gz GBFXOTXJMPTWCD-KGLIPLIRSA-N 1 3 314.474 0.487 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COC)C1)N(C)C ZINC001376542955 965809241 /nfs/dbraw/zinc/80/92/41/965809241.db2.gz RAXOMBUZBDCOPL-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1)N(C)C ZINC001376542955 965809249 /nfs/dbraw/zinc/80/92/49/965809249.db2.gz RAXOMBUZBDCOPL-ZNMIVQPWSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(=O)N(C)C ZINC001370389821 966072715 /nfs/dbraw/zinc/07/27/15/966072715.db2.gz KTVWRXXWMYKDOG-AJNGGQMLSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(=O)N(C)C ZINC001370389821 966072725 /nfs/dbraw/zinc/07/27/25/966072725.db2.gz KTVWRXXWMYKDOG-AJNGGQMLSA-N 1 3 324.469 0.384 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001370427701 966109957 /nfs/dbraw/zinc/10/99/57/966109957.db2.gz LBSWHWIKFNIJNJ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001370511093 966199880 /nfs/dbraw/zinc/19/98/80/966199880.db2.gz CQXYDBVXLAPAQK-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001370708720 966403485 /nfs/dbraw/zinc/40/34/85/966403485.db2.gz AHPZMCHUFSSPAD-LZWOXQAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001370708866 966404137 /nfs/dbraw/zinc/40/41/37/966404137.db2.gz BVRBARYOSALUBT-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001370857702 966544774 /nfs/dbraw/zinc/54/47/74/966544774.db2.gz YJUDBFCDEDIJEC-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO NC(=O)CNC[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001370931306 966596148 /nfs/dbraw/zinc/59/61/48/966596148.db2.gz NVXWZMVZQVADDV-CYBMUJFWSA-N 1 3 308.426 0.071 20 0 DCADHO CCCC[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001381745356 966659089 /nfs/dbraw/zinc/65/90/89/966659089.db2.gz JVVDEQNLZCSWQS-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCC[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381745356 966659097 /nfs/dbraw/zinc/65/90/97/966659097.db2.gz JVVDEQNLZCSWQS-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001381930377 966788772 /nfs/dbraw/zinc/78/87/72/966788772.db2.gz UANZITURCIXTLP-ZRJCITRHSA-N 1 3 306.410 0.590 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001381930377 966788777 /nfs/dbraw/zinc/78/87/77/966788777.db2.gz UANZITURCIXTLP-ZRJCITRHSA-N 1 3 306.410 0.590 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001382017133 966868722 /nfs/dbraw/zinc/86/87/22/966868722.db2.gz IQBAJKQABCNBBB-DOMZBBRYSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001371308731 966889205 /nfs/dbraw/zinc/88/92/05/966889205.db2.gz QFSFNUKDYZQLJV-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001371338620 966915133 /nfs/dbraw/zinc/91/51/33/966915133.db2.gz DCQMOVGTQIXVEW-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001382137874 966973569 /nfs/dbraw/zinc/97/35/69/966973569.db2.gz KMUAIDQCYOGJOB-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CN(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001382145161 966980364 /nfs/dbraw/zinc/98/03/64/966980364.db2.gz YAGFVHBDTSDCLR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CN(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001382145161 966980373 /nfs/dbraw/zinc/98/03/73/966980373.db2.gz YAGFVHBDTSDCLR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001371431112 966986578 /nfs/dbraw/zinc/98/65/78/966986578.db2.gz SQNLNVDCVJXTQU-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001371431112 966986582 /nfs/dbraw/zinc/98/65/82/966986582.db2.gz SQNLNVDCVJXTQU-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)NCC1CC1 ZINC001382161962 966993392 /nfs/dbraw/zinc/99/33/92/966993392.db2.gz MVEYEKWTEZPAMB-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448003850 1013696874 /nfs/dbraw/zinc/69/68/74/1013696874.db2.gz AMRGQZPFAZHXHM-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448003850 1013696878 /nfs/dbraw/zinc/69/68/78/1013696878.db2.gz AMRGQZPFAZHXHM-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001371613948 967171003 /nfs/dbraw/zinc/17/10/03/967171003.db2.gz IGIGXRHTYAWMKD-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@H]1C ZINC001382303756 967189616 /nfs/dbraw/zinc/18/96/16/967189616.db2.gz HVSKGKDTQZQZQQ-KGLIPLIRSA-N 1 3 308.430 0.197 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccnn2C)C[C@@H]1C ZINC001382304186 967190270 /nfs/dbraw/zinc/19/02/70/967190270.db2.gz APTHOTCQPOIOOS-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccnn2C)C[C@@H]1C ZINC001382304186 967190278 /nfs/dbraw/zinc/19/02/78/967190278.db2.gz APTHOTCQPOIOOS-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001371769862 967326567 /nfs/dbraw/zinc/32/65/67/967326567.db2.gz LMJBMYLSXCTGIW-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1C ZINC001371799256 967349415 /nfs/dbraw/zinc/34/94/15/967349415.db2.gz UUFDVPGKJKWHPD-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1C ZINC001371799256 967349424 /nfs/dbraw/zinc/34/94/24/967349424.db2.gz UUFDVPGKJKWHPD-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001382460588 967405350 /nfs/dbraw/zinc/40/53/50/967405350.db2.gz NLLSPBPFDGZELM-KBPBESRZSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001382460588 967405356 /nfs/dbraw/zinc/40/53/56/967405356.db2.gz NLLSPBPFDGZELM-KBPBESRZSA-N 1 3 315.458 0.257 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001372509505 968063883 /nfs/dbraw/zinc/06/38/83/968063883.db2.gz XEZXIQSYSFHAGQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001372509505 968063890 /nfs/dbraw/zinc/06/38/90/968063890.db2.gz XEZXIQSYSFHAGQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001373072216 968686718 /nfs/dbraw/zinc/68/67/18/968686718.db2.gz ZVJHDRUDJKWDRH-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001373226545 968827736 /nfs/dbraw/zinc/82/77/36/968827736.db2.gz SYWKMSXGNHDSGB-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001373523969 969186145 /nfs/dbraw/zinc/18/61/45/969186145.db2.gz FYNXCWADOJYZDJ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001448660806 1013987437 /nfs/dbraw/zinc/98/74/37/1013987437.db2.gz UPYFLJATNMVPRM-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001448660806 1013987440 /nfs/dbraw/zinc/98/74/40/1013987440.db2.gz UPYFLJATNMVPRM-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCN1CCCC1=O ZINC001448769904 1014031944 /nfs/dbraw/zinc/03/19/44/1014031944.db2.gz CKNTVMGDABHSKJ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001448887516 1014083903 /nfs/dbraw/zinc/08/39/03/1014083903.db2.gz JOAMCFMVJZKWGB-SWLSCSKDSA-N 1 3 311.401 0.905 20 0 DCADHO C[C@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)CCC[NH+](C)C ZINC001448972557 1014112599 /nfs/dbraw/zinc/11/25/99/1014112599.db2.gz AJIWYIXSULFFAG-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)CCC[NH+](C)C ZINC001448972599 1014112879 /nfs/dbraw/zinc/11/28/79/1014112879.db2.gz AJIWYIXSULFFAG-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001549153899 1014155558 /nfs/dbraw/zinc/15/55/58/1014155558.db2.gz BSKJJOJFHJOHRM-KLHDSHLOSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001549153899 1014155562 /nfs/dbraw/zinc/15/55/62/1014155562.db2.gz BSKJJOJFHJOHRM-KLHDSHLOSA-N 1 3 322.453 0.464 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC1(C)C ZINC001449075250 1014170332 /nfs/dbraw/zinc/17/03/32/1014170332.db2.gz GDLZTDMBPKKQIP-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001522634694 1014260430 /nfs/dbraw/zinc/26/04/30/1014260430.db2.gz KHXQDNOZIVPAAW-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1)N(C)C ZINC001549740908 1014438813 /nfs/dbraw/zinc/43/88/13/1014438813.db2.gz ROUFNHKJIFTWKQ-UMVBOHGHSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001550091186 1014559573 /nfs/dbraw/zinc/55/95/73/1014559573.db2.gz XFZBFHJQDJRDCD-MRXNPFEDSA-N 1 3 318.421 0.048 20 0 DCADHO O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001550112534 1014578509 /nfs/dbraw/zinc/57/85/09/1014578509.db2.gz FDKWQQNPWJAHPH-MDZLAQPJSA-N 1 3 305.382 0.288 20 0 DCADHO CN(CC(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001523148490 1014583029 /nfs/dbraw/zinc/58/30/29/1014583029.db2.gz HRNZFYDRGMVUDV-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001550122512 1014588320 /nfs/dbraw/zinc/58/83/20/1014588320.db2.gz HXSOXIJMQJEYTJ-UONOGXRCSA-N 1 3 318.425 0.511 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC001550198733 1014622955 /nfs/dbraw/zinc/62/29/55/1014622955.db2.gz OOISKGWYVYCMQJ-CQSZACIVSA-N 1 3 322.453 0.318 20 0 DCADHO CC(C)(C[NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200207 1014623903 /nfs/dbraw/zinc/62/39/03/1014623903.db2.gz DFNPYEDLEFGPPC-UHFFFAOYSA-N 1 3 310.442 0.304 20 0 DCADHO CCN1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550764158 1014852433 /nfs/dbraw/zinc/85/24/33/1014852433.db2.gz ZPALBLHYSSTIBE-GJZGRUSLSA-N 1 3 324.469 0.929 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001550763310 1014853567 /nfs/dbraw/zinc/85/35/67/1014853567.db2.gz LDVFDXQSBJXTSP-ZACQAIPSSA-N 1 3 314.433 0.952 20 0 DCADHO COc1cc(CN[C@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)sn1 ZINC001550934624 1014917777 /nfs/dbraw/zinc/91/77/77/1014917777.db2.gz JPYVMNCNFIBZTI-SWLSCSKDSA-N 1 3 324.450 0.888 20 0 DCADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CC[NH2+]CCC12CCOCC2 ZINC001551461954 1015096863 /nfs/dbraw/zinc/09/68/63/1015096863.db2.gz SGZRYURUDSNYRO-CABCVRRESA-N 1 3 323.437 0.221 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)N1CCN3C[C@@H](O)C[C@@H]3C1)CC2 ZINC001551556738 1015136993 /nfs/dbraw/zinc/13/69/93/1015136993.db2.gz TZNAVXRZZZXKHI-NHGZVPIDSA-N 1 3 308.426 0.107 20 0 DCADHO CN(CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001385841087 986624680 /nfs/dbraw/zinc/62/46/80/986624680.db2.gz HCRVYMYPRIWLFT-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001385841087 986624684 /nfs/dbraw/zinc/62/46/84/986624684.db2.gz HCRVYMYPRIWLFT-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001386178820 986919512 /nfs/dbraw/zinc/91/95/12/986919512.db2.gz HLCARPXBKOHROS-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001386178820 986919514 /nfs/dbraw/zinc/91/95/14/986919514.db2.gz HLCARPXBKOHROS-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001386350139 987100684 /nfs/dbraw/zinc/10/06/84/987100684.db2.gz UESMIOJWXRORAB-MJBXVCDLSA-N 1 3 322.453 0.186 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC001552153425 1015293017 /nfs/dbraw/zinc/29/30/17/1015293017.db2.gz YZHZLZOFCFQLDB-KLHDSHLOSA-N 1 3 307.438 0.602 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NCCN2CCCC2)cnn1C ZINC001552166715 1015300501 /nfs/dbraw/zinc/30/05/01/1015300501.db2.gz LVYBLUZUCIBHDV-GJZGRUSLSA-N 1 3 305.426 0.244 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CCCN(C)C2)cnn1C ZINC001552169193 1015304237 /nfs/dbraw/zinc/30/42/37/1015304237.db2.gz ZOAXOULVRLJXQT-SNPRPXQTSA-N 1 3 305.426 0.242 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001532236284 1015318798 /nfs/dbraw/zinc/31/87/98/1015318798.db2.gz KNKKMVXQBDFGTL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001532236284 1015318810 /nfs/dbraw/zinc/31/88/10/1015318810.db2.gz KNKKMVXQBDFGTL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001387861626 988228533 /nfs/dbraw/zinc/22/85/33/988228533.db2.gz IHHNNBZFVXDCAR-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001387911306 988274188 /nfs/dbraw/zinc/27/41/88/988274188.db2.gz VZALATYUQVPWQR-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001387911306 988274192 /nfs/dbraw/zinc/27/41/92/988274192.db2.gz VZALATYUQVPWQR-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001387947538 988314266 /nfs/dbraw/zinc/31/42/66/988314266.db2.gz AMDSCIMBRNCLEW-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001387947538 988314280 /nfs/dbraw/zinc/31/42/80/988314280.db2.gz AMDSCIMBRNCLEW-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001388452322 988326674 /nfs/dbraw/zinc/32/66/74/988326674.db2.gz UZNBKCHZFXCTLC-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388452322 988326683 /nfs/dbraw/zinc/32/66/83/988326683.db2.gz UZNBKCHZFXCTLC-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CCNC(=O)CC[NH+](C)C)C(=O)CN1CCC(C)(C)C1 ZINC001388055633 988433435 /nfs/dbraw/zinc/43/34/35/988433435.db2.gz AXRCVRPSJGBDBW-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CCN(C)C(=O)CN1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001389001295 988729288 /nfs/dbraw/zinc/72/92/88/988729288.db2.gz WYDBGPDCEHISQG-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CN(CCN(C)C(=O)CN1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001389001295 988729293 /nfs/dbraw/zinc/72/92/93/988729293.db2.gz WYDBGPDCEHISQG-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO N[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[C@H]1F ZINC001552440142 1015439437 /nfs/dbraw/zinc/43/94/37/1015439437.db2.gz NZKWVHKETNOHJK-QJPTWQEYSA-N 1 3 310.377 0.104 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001389267938 989052700 /nfs/dbraw/zinc/05/27/00/989052700.db2.gz MXJQWKJLYHEEKH-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001450929156 1015458683 /nfs/dbraw/zinc/45/86/83/1015458683.db2.gz GOFKDWQAEVATLT-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001450929156 1015458686 /nfs/dbraw/zinc/45/86/86/1015458686.db2.gz GOFKDWQAEVATLT-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001389531200 989368259 /nfs/dbraw/zinc/36/82/59/989368259.db2.gz YOEFESBJXQTACP-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)CC[NH+](C)C ZINC001450962872 1015486944 /nfs/dbraw/zinc/48/69/44/1015486944.db2.gz AURGPFPTQGXUJX-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001390006562 989742416 /nfs/dbraw/zinc/74/24/16/989742416.db2.gz NXVINSBIHCUKGN-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001390091708 989812071 /nfs/dbraw/zinc/81/20/71/989812071.db2.gz VCOQBACIZJDKAJ-ZFWWWQNUSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NCC1CC1 ZINC001390455609 990119038 /nfs/dbraw/zinc/11/90/38/990119038.db2.gz NXTJMRSFDAMRTP-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001390462759 990125447 /nfs/dbraw/zinc/12/54/47/990125447.db2.gz NNDLBXPKVWEVHX-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](NCCN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001391224112 990683061 /nfs/dbraw/zinc/68/30/61/990683061.db2.gz DDCPXOHVEHYWCR-LBPRGKRZSA-N 1 3 306.410 0.284 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001391340894 990761457 /nfs/dbraw/zinc/76/14/57/990761457.db2.gz QCEORLHZJCGRMO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001391340894 990761463 /nfs/dbraw/zinc/76/14/63/990761463.db2.gz QCEORLHZJCGRMO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001391862562 991233436 /nfs/dbraw/zinc/23/34/36/991233436.db2.gz LRCQUHZCLZURJM-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001391862562 991233444 /nfs/dbraw/zinc/23/34/44/991233444.db2.gz LRCQUHZCLZURJM-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)CNCc1cn(C)nn1)[NH+](C)C ZINC001391899957 991278276 /nfs/dbraw/zinc/27/82/76/991278276.db2.gz OKLYLIQSDAGUHY-JSGCOSHPSA-N 1 3 310.446 0.243 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001392046934 991431551 /nfs/dbraw/zinc/43/15/51/991431551.db2.gz CDMZISCRYPQHBY-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001392046938 991432104 /nfs/dbraw/zinc/43/21/04/991432104.db2.gz CDMZISCRYPQHBY-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001392079331 991472350 /nfs/dbraw/zinc/47/23/50/991472350.db2.gz RMNPLOHQTTYDTR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553217500 1015643321 /nfs/dbraw/zinc/64/33/21/1015643321.db2.gz SVXSZSHZPFNSRY-KBPBESRZSA-N 1 3 310.442 0.321 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001392179016 991580692 /nfs/dbraw/zinc/58/06/92/991580692.db2.gz KLXHRMBEZCWQSE-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1noc(CCC[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001392264086 991671952 /nfs/dbraw/zinc/67/19/52/991671952.db2.gz BQZUVSBZGGBXGS-AWEZNQCLSA-N 1 3 323.441 0.795 20 0 DCADHO Cc1noc(CCC[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)n1 ZINC001392264086 991671954 /nfs/dbraw/zinc/67/19/54/991671954.db2.gz BQZUVSBZGGBXGS-AWEZNQCLSA-N 1 3 323.441 0.795 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)C[C@@H]1CCc2ncnn21 ZINC001392318979 991745425 /nfs/dbraw/zinc/74/54/25/991745425.db2.gz XJDHBGURJQHTJP-AWEZNQCLSA-N 1 3 322.457 0.497 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C[C@@H]1CCc2ncnn21 ZINC001392318979 991745434 /nfs/dbraw/zinc/74/54/34/991745434.db2.gz XJDHBGURJQHTJP-AWEZNQCLSA-N 1 3 322.457 0.497 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001392326920 991758458 /nfs/dbraw/zinc/75/84/58/991758458.db2.gz NXNNJBWYSJHKMQ-ZIAGYGMSSA-N 1 3 320.441 0.107 20 0 DCADHO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001392326920 991758466 /nfs/dbraw/zinc/75/84/66/991758466.db2.gz NXNNJBWYSJHKMQ-ZIAGYGMSSA-N 1 3 320.441 0.107 20 0 DCADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1)N1CCCC1 ZINC001392385495 991852959 /nfs/dbraw/zinc/85/29/59/991852959.db2.gz AFVXLAFFXVFKDW-HNNXBMFYSA-N 1 3 320.437 0.523 20 0 DCADHO Cc1nsc(C)c1CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001392390497 991860281 /nfs/dbraw/zinc/86/02/81/991860281.db2.gz GNVLHURPJFAMPM-LBPRGKRZSA-N 1 3 314.455 0.278 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cncc(F)c2)C1 ZINC001392403524 991879639 /nfs/dbraw/zinc/87/96/39/991879639.db2.gz VHPPZYQYNGRMKB-DOMZBBRYSA-N 1 3 324.400 0.129 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001392425128 991911460 /nfs/dbraw/zinc/91/14/60/991911460.db2.gz OXWGQXVZHHLOHI-CQSZACIVSA-N 1 3 318.421 0.053 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C2CCC2)C1=O ZINC001392450536 991945028 /nfs/dbraw/zinc/94/50/28/991945028.db2.gz WPFRBKNWQXWKOO-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392510677 992027550 /nfs/dbraw/zinc/02/75/50/992027550.db2.gz GGBFQSMXUXMXQS-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392524462 992047478 /nfs/dbraw/zinc/04/74/78/992047478.db2.gz PQGWPQGPWKQKBZ-GFCCVEGCSA-N 1 3 305.426 0.419 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001392607640 992154019 /nfs/dbraw/zinc/15/40/19/992154019.db2.gz LUCQPLPDYKVKPG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392607640 992154023 /nfs/dbraw/zinc/15/40/23/992154023.db2.gz LUCQPLPDYKVKPG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001392617624 992165588 /nfs/dbraw/zinc/16/55/88/992165588.db2.gz JULKWLMWOUJMNH-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN(C)C1CCC1 ZINC001392898743 992515597 /nfs/dbraw/zinc/51/55/97/992515597.db2.gz ZIJQQPABXRBOJO-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001392908953 992531236 /nfs/dbraw/zinc/53/12/36/992531236.db2.gz QJGCFNHRIHQRAC-HNNXBMFYSA-N 1 3 319.453 0.996 20 0 DCADHO CN(C)c1cc(CNC2(CNC(=O)CC[NH+](C)C)CC2)ccn1 ZINC001392930172 992555476 /nfs/dbraw/zinc/55/54/76/992555476.db2.gz PJTIFFOBKYBDDO-UHFFFAOYSA-N 1 3 319.453 0.838 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001393053639 992652588 /nfs/dbraw/zinc/65/25/88/992652588.db2.gz YEOZQLSVAOOECS-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](CC)C(N)=O)C1 ZINC001393160473 992721807 /nfs/dbraw/zinc/72/18/07/992721807.db2.gz LFXGGWCXRSJVTC-CZUORRHYSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001393476439 993021562 /nfs/dbraw/zinc/02/15/62/993021562.db2.gz XHWZQXHOHYUCCM-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCc2ccnn2C)CCC1)N(C)C ZINC001393568854 993090626 /nfs/dbraw/zinc/09/06/26/993090626.db2.gz XGVXVFMPOALJCD-OAHLLOKOSA-N 1 3 321.469 0.931 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001393581728 993102458 /nfs/dbraw/zinc/10/24/58/993102458.db2.gz GNZXEQPJJLLULC-INIZCTEOSA-N 1 3 320.437 0.740 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001393620122 993133549 /nfs/dbraw/zinc/13/35/49/993133549.db2.gz SEDIRZFCUNMHBU-GJZGRUSLSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001393857680 993300140 /nfs/dbraw/zinc/30/01/40/993300140.db2.gz GANUETSYGKZHLB-MELADBBJSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCO)C[C@H]2C1 ZINC001394342431 993635064 /nfs/dbraw/zinc/63/50/64/993635064.db2.gz CNOSBUVOXGOFSD-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCO)C[C@H]2C1 ZINC001394342431 993635061 /nfs/dbraw/zinc/63/50/61/993635061.db2.gz CNOSBUVOXGOFSD-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001394397846 993679977 /nfs/dbraw/zinc/67/99/77/993679977.db2.gz ZSKSWWKZXHZXDR-YRGRVCCFSA-N 1 3 308.430 0.140 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001394492465 993766401 /nfs/dbraw/zinc/76/64/01/993766401.db2.gz WSHZEHVTXIPHJL-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](CO)NCCC(F)(F)F)[NH+](C)C ZINC001394627633 993934201 /nfs/dbraw/zinc/93/42/01/993934201.db2.gz VFGDRHMZTCKRQY-GHMZBOCLSA-N 1 3 313.364 0.592 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001399938294 993958488 /nfs/dbraw/zinc/95/84/88/993958488.db2.gz DMKHVOOLMTYJRC-ZIAGYGMSSA-N 1 3 306.410 0.735 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001399938294 993958503 /nfs/dbraw/zinc/95/85/03/993958503.db2.gz DMKHVOOLMTYJRC-ZIAGYGMSSA-N 1 3 306.410 0.735 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001394671586 993999494 /nfs/dbraw/zinc/99/94/94/993999494.db2.gz QLHMXRHDZMSLNK-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001394671586 993999510 /nfs/dbraw/zinc/99/95/10/993999510.db2.gz QLHMXRHDZMSLNK-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001399988140 994024402 /nfs/dbraw/zinc/02/44/02/994024402.db2.gz KFFIPYFREIWZFJ-MCIONIFRSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001399988140 994024410 /nfs/dbraw/zinc/02/44/10/994024410.db2.gz KFFIPYFREIWZFJ-MCIONIFRSA-N 1 3 312.458 0.145 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](N[C@H]2CCCNC2=O)C(C)(C)C1 ZINC001394714424 994046904 /nfs/dbraw/zinc/04/69/04/994046904.db2.gz MLHOMOMOJKUDFM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@H]2CCCNC2=O)C(C)(C)C1 ZINC001394714424 994046910 /nfs/dbraw/zinc/04/69/10/994046910.db2.gz MLHOMOMOJKUDFM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001400083825 994142175 /nfs/dbraw/zinc/14/21/75/994142175.db2.gz GMYWATXJMFEIEZ-STQMWFEESA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001394858728 994223351 /nfs/dbraw/zinc/22/33/51/994223351.db2.gz DFTJIBBQDRCCRH-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@H](CCNC(=O)[C@H]3CCCN3C)C2)cn1 ZINC001400172701 994234168 /nfs/dbraw/zinc/23/41/68/994234168.db2.gz GTHRIBZFZAQSBM-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@H](CCNC(=O)[C@H]3CCCN3C)C2)cn1 ZINC001400172701 994234181 /nfs/dbraw/zinc/23/41/81/994234181.db2.gz GTHRIBZFZAQSBM-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO CN(CCN1CC[NH+](CC2CC2)CC1)C(=O)[C@H]1CCCN1C ZINC001400206697 994280896 /nfs/dbraw/zinc/28/08/96/994280896.db2.gz UHGJICQYNRGTOW-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001400267454 994357281 /nfs/dbraw/zinc/35/72/81/994357281.db2.gz HAPFLNOXVKMPSZ-NSHDSACASA-N 1 3 309.414 0.223 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001400463011 994542167 /nfs/dbraw/zinc/54/21/67/994542167.db2.gz AZXVMJLVXAFVKF-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](O)CCCN1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001400507860 994599962 /nfs/dbraw/zinc/59/99/62/994599962.db2.gz BONOKFAOPSQUAC-AWEZNQCLSA-N 1 3 309.454 0.824 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC2(CCN([C@@H](C)C(N)=O)C2)CC1 ZINC001401089624 995165514 /nfs/dbraw/zinc/16/55/14/995165514.db2.gz OVVXYMGBNKWDLJ-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC2(CCN([C@@H](C)C(N)=O)C2)CC1 ZINC001401089624 995165517 /nfs/dbraw/zinc/16/55/17/995165517.db2.gz OVVXYMGBNKWDLJ-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCN(C)C1=O ZINC001401113293 995189360 /nfs/dbraw/zinc/18/93/60/995189360.db2.gz GTZIMBWIKFJZBN-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001401113295 995189539 /nfs/dbraw/zinc/18/95/39/995189539.db2.gz GTZIMBWIKFJZBN-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001396919513 995683023 /nfs/dbraw/zinc/68/30/23/995683023.db2.gz QUXCJUYRMAQKSU-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001397103929 995796772 /nfs/dbraw/zinc/79/67/72/995796772.db2.gz WOMDJEDKVRFIJE-QLFBSQMISA-N 1 3 307.442 0.708 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001397152816 995828450 /nfs/dbraw/zinc/82/84/50/995828450.db2.gz JHWDNVNUKKXSQE-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001397152816 995828456 /nfs/dbraw/zinc/82/84/56/995828456.db2.gz JHWDNVNUKKXSQE-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001397166850 995837291 /nfs/dbraw/zinc/83/72/91/995837291.db2.gz GZQKWWHKOSXWSH-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001397166850 995837294 /nfs/dbraw/zinc/83/72/94/995837294.db2.gz GZQKWWHKOSXWSH-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001397209189 995865414 /nfs/dbraw/zinc/86/54/14/995865414.db2.gz KDXHCLDNFYEQSC-JOCQHMNTSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001397213546 995868318 /nfs/dbraw/zinc/86/83/18/995868318.db2.gz PGCHLXPROPQZTJ-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001397213546 995868324 /nfs/dbraw/zinc/86/83/24/995868324.db2.gz PGCHLXPROPQZTJ-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001397444845 996003139 /nfs/dbraw/zinc/00/31/39/996003139.db2.gz BZKFSEYZZMTIFV-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001397702010 996137734 /nfs/dbraw/zinc/13/77/34/996137734.db2.gz VAERRNFVONWUBD-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](CCO)CC2CC2)CC1 ZINC001397814895 996188687 /nfs/dbraw/zinc/18/86/87/996188687.db2.gz QLSULBKREFDLLW-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CC2CC2)CC1 ZINC001397814895 996188689 /nfs/dbraw/zinc/18/86/89/996188689.db2.gz QLSULBKREFDLLW-INIZCTEOSA-N 1 3 309.454 0.776 20 0 DCADHO CC[C@@H](C(=O)N(C)CCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001398011583 996312727 /nfs/dbraw/zinc/31/27/27/996312727.db2.gz JHDLHQODWJUEIB-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cncn2C)C2CC2)CC[N@@H+]1C ZINC001398405038 996502726 /nfs/dbraw/zinc/50/27/26/996502726.db2.gz JTDKNDLKEDQJRS-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2cncn2C)C2CC2)CC[N@H+]1C ZINC001398405038 996502730 /nfs/dbraw/zinc/50/27/30/996502730.db2.gz JTDKNDLKEDQJRS-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1 ZINC001398445696 996519924 /nfs/dbraw/zinc/51/99/24/996519924.db2.gz DZTSDKINYHPEBU-CQSZACIVSA-N 1 3 310.442 0.077 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001398526778 996553648 /nfs/dbraw/zinc/55/36/48/996553648.db2.gz DOTGFVHBJJTKSW-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001398526778 996553652 /nfs/dbraw/zinc/55/36/52/996553652.db2.gz DOTGFVHBJJTKSW-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CC[C@@H](NC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001398758778 996675371 /nfs/dbraw/zinc/67/53/71/996675371.db2.gz ITOPPTHBSMOBES-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001398838110 996710644 /nfs/dbraw/zinc/71/06/44/996710644.db2.gz HMTYIVDIVAMUSH-PIMMBPRGSA-N 1 3 322.457 0.672 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001398940858 996763830 /nfs/dbraw/zinc/76/38/30/996763830.db2.gz IHSHGNKTJGDBFZ-HIFRSBDPSA-N 1 3 309.458 0.643 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001398968009 996781251 /nfs/dbraw/zinc/78/12/51/996781251.db2.gz VTZYCXBMIPNBCZ-KBPBESRZSA-N 1 3 308.430 0.247 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001399037379 996874652 /nfs/dbraw/zinc/87/46/52/996874652.db2.gz MRORJRDRESTMTD-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001404328110 996986124 /nfs/dbraw/zinc/98/61/24/996986124.db2.gz UTUINJGJEWPVFT-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NCC(=O)N(C)C)C1)[NH+](CC)CC ZINC001399182844 997064840 /nfs/dbraw/zinc/06/48/40/997064840.db2.gz FRCFGSHQQIEPOT-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405346811 998136953 /nfs/dbraw/zinc/13/69/53/998136953.db2.gz VHDKYZIHOXHRTM-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1ccc(C)c(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001507259208 1016189252 /nfs/dbraw/zinc/18/92/52/1016189252.db2.gz CURZYSRVKZMCLO-NVXWUHKLSA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(C)c(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001507259208 1016189260 /nfs/dbraw/zinc/18/92/60/1016189260.db2.gz CURZYSRVKZMCLO-NVXWUHKLSA-N 1 3 319.449 0.822 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cnnn2C)CCCC1 ZINC001405421123 998210679 /nfs/dbraw/zinc/21/06/79/998210679.db2.gz MKSZRGLPDMOSFR-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001405538688 998308901 /nfs/dbraw/zinc/30/89/01/998308901.db2.gz XRSLUNGMBPVKGI-YPMHNXCESA-N 1 3 307.398 0.010 20 0 DCADHO C[C@H]1[C@H](NCc2ccnn2C)CCN1C(=O)CCC[NH+](C)C ZINC001507291527 1016222949 /nfs/dbraw/zinc/22/29/49/1016222949.db2.gz WBQQADLAOVCHQX-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001507294879 1016225142 /nfs/dbraw/zinc/22/51/42/1016225142.db2.gz IMTMJGKECHZVQD-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCCC(=O)NC1CC(CNCc2cnns2)C1 ZINC001505514965 1016282364 /nfs/dbraw/zinc/28/23/64/1016282364.db2.gz FBYNIDKMWWLGHT-UHFFFAOYSA-N 1 3 311.455 0.864 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401219686 1000282238 /nfs/dbraw/zinc/28/22/38/1000282238.db2.gz FDMOFNGLQPKVHB-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)CC1 ZINC001401288972 1000333562 /nfs/dbraw/zinc/33/35/62/1000333562.db2.gz QFWUEJUGHSFVJG-HNNXBMFYSA-N 1 3 324.469 0.468 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001418617333 1000397180 /nfs/dbraw/zinc/39/71/80/1000397180.db2.gz PLXHIELHEWEUQH-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001418658013 1000426379 /nfs/dbraw/zinc/42/63/79/1000426379.db2.gz KWCKYECWWRHZKF-MELADBBJSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418658013 1000426383 /nfs/dbraw/zinc/42/63/83/1000426383.db2.gz KWCKYECWWRHZKF-MELADBBJSA-N 1 3 320.441 0.141 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001401441903 1000427777 /nfs/dbraw/zinc/42/77/77/1000427777.db2.gz VXFIHODBECGSSO-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001401441903 1000427781 /nfs/dbraw/zinc/42/77/81/1000427781.db2.gz VXFIHODBECGSSO-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)CCC1 ZINC001401556785 1000493399 /nfs/dbraw/zinc/49/33/99/1000493399.db2.gz QQQIPKNDOWIQNX-CQSZACIVSA-N 1 3 306.410 0.133 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401598516 1000533582 /nfs/dbraw/zinc/53/35/82/1000533582.db2.gz VEMSLWCEODDFPD-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401598516 1000533586 /nfs/dbraw/zinc/53/35/86/1000533586.db2.gz VEMSLWCEODDFPD-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001401617342 1000554085 /nfs/dbraw/zinc/55/40/85/1000554085.db2.gz HHAHKRMDSUYUMP-KGYLQXTDSA-N 1 3 308.430 0.438 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001401617342 1000554088 /nfs/dbraw/zinc/55/40/88/1000554088.db2.gz HHAHKRMDSUYUMP-KGYLQXTDSA-N 1 3 308.430 0.438 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001418836765 1000562788 /nfs/dbraw/zinc/56/27/88/1000562788.db2.gz BHWFVWKHIIDSRQ-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401640349 1000580174 /nfs/dbraw/zinc/58/01/74/1000580174.db2.gz OZJFTMFGTBKXQW-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001401646677 1000586156 /nfs/dbraw/zinc/58/61/56/1000586156.db2.gz HYHQMFLDWJMZMP-AGIUHOORSA-N 1 3 308.430 0.200 20 0 DCADHO CC(C)N1CC[C@@H](NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001401699562 1000638295 /nfs/dbraw/zinc/63/82/95/1000638295.db2.gz GGKLUEBOURJZAO-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001419249908 1000918431 /nfs/dbraw/zinc/91/84/31/1000918431.db2.gz JUKQTCYRIYVGIM-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001419274504 1000940549 /nfs/dbraw/zinc/94/05/49/1000940549.db2.gz ZULRUJVFROJEQV-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001419274504 1000940554 /nfs/dbraw/zinc/94/05/54/1000940554.db2.gz ZULRUJVFROJEQV-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](N[C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1)C(N)=O ZINC001419332455 1000981441 /nfs/dbraw/zinc/98/14/41/1000981441.db2.gz YTHPIDTWUNFJAW-GXTWGEPZSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001419342329 1000988104 /nfs/dbraw/zinc/98/81/04/1000988104.db2.gz QUZHJASMHIDPNG-CZUORRHYSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001419342329 1000988105 /nfs/dbraw/zinc/98/81/05/1000988105.db2.gz QUZHJASMHIDPNG-CZUORRHYSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001419357666 1000998372 /nfs/dbraw/zinc/99/83/72/1000998372.db2.gz KFDNGBWGUONLBR-MRXNPFEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001419367038 1001004176 /nfs/dbraw/zinc/00/41/76/1001004176.db2.gz KZVYVLZXPZHSDH-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001419383598 1001013747 /nfs/dbraw/zinc/01/37/47/1001013747.db2.gz CJQPDBJAMRQORP-KBUPBQIOSA-N 1 3 324.469 0.478 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC ZINC001419461081 1001069913 /nfs/dbraw/zinc/06/99/13/1001069913.db2.gz LYCBMAPOIAWJCK-FFHGMXDLSA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC ZINC001419461081 1001069918 /nfs/dbraw/zinc/06/99/18/1001069918.db2.gz LYCBMAPOIAWJCK-FFHGMXDLSA-N 1 3 324.469 0.574 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001402158849 1001070071 /nfs/dbraw/zinc/07/00/71/1001070071.db2.gz ICHGKFRXTNXZIA-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCCC1 ZINC001419624153 1001177948 /nfs/dbraw/zinc/17/79/48/1001177948.db2.gz ZKJFSWKHJZZDIB-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001402307205 1001200400 /nfs/dbraw/zinc/20/04/00/1001200400.db2.gz ZQPWMUDQNYVFIU-JKSUJKDBSA-N 1 3 315.433 0.772 20 0 DCADHO CC[N@H+]1CC[C@](O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001402307205 1001200404 /nfs/dbraw/zinc/20/04/04/1001200404.db2.gz ZQPWMUDQNYVFIU-JKSUJKDBSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCC[C@H](C)O)C1 ZINC001402310181 1001204257 /nfs/dbraw/zinc/20/42/57/1001204257.db2.gz IBQXQVXSMBGFTF-GOEBONIOSA-N 1 3 315.458 0.041 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CCC[C@H](C)O)C1 ZINC001402310181 1001204261 /nfs/dbraw/zinc/20/42/61/1001204261.db2.gz IBQXQVXSMBGFTF-GOEBONIOSA-N 1 3 315.458 0.041 20 0 DCADHO CN(CC(=O)NC1CCC([NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC001419670374 1001210485 /nfs/dbraw/zinc/21/04/85/1001210485.db2.gz IEXXJRKHNCRTKJ-PIMMBPRGSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001419735654 1001263644 /nfs/dbraw/zinc/26/36/44/1001263644.db2.gz MSCKOVFCMGEJHA-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)CN[C@@H]2CCNC2=O)CC1 ZINC001419747878 1001275930 /nfs/dbraw/zinc/27/59/30/1001275930.db2.gz UEERAGAYGDVVDG-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419749441 1001278411 /nfs/dbraw/zinc/27/84/11/1001278411.db2.gz SBDNEBAWWBLCPS-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419749441 1001278413 /nfs/dbraw/zinc/27/84/13/1001278413.db2.gz SBDNEBAWWBLCPS-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001419758259 1001284858 /nfs/dbraw/zinc/28/48/58/1001284858.db2.gz FXIMRDFSHJXHRH-CYBMUJFWSA-N 1 3 322.457 0.926 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccnn1C ZINC001419764098 1001291066 /nfs/dbraw/zinc/29/10/66/1001291066.db2.gz BQIKIHCYDFPGDR-ZDUSSCGKSA-N 1 3 307.442 0.541 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001402424948 1001296182 /nfs/dbraw/zinc/29/61/82/1001296182.db2.gz RXDKNRDFZZIYGU-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001402424948 1001296189 /nfs/dbraw/zinc/29/61/89/1001296189.db2.gz RXDKNRDFZZIYGU-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001419820322 1001333388 /nfs/dbraw/zinc/33/33/88/1001333388.db2.gz KKPCVZSZCMPECO-SMDDNHRTSA-N 1 3 319.409 0.057 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1CNCC(N)=O ZINC001419849045 1001354290 /nfs/dbraw/zinc/35/42/90/1001354290.db2.gz RGIYVBREDJJSSE-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)N(C)C ZINC001402518779 1001378176 /nfs/dbraw/zinc/37/81/76/1001378176.db2.gz WCIZBZAMLURNIS-AAVRWANBSA-N 1 3 310.442 0.184 20 0 DCADHO CN(CCC[N@H+](C)CCNC(=O)C1CC1)C(=O)[C@@H]1CCCN1C ZINC001402637547 1001454814 /nfs/dbraw/zinc/45/48/14/1001454814.db2.gz NPXCACWXCRRUTG-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCC[N@@H+](C)CCNC(=O)C1CC1)C(=O)[C@@H]1CCCN1C ZINC001402637547 1001454819 /nfs/dbraw/zinc/45/48/19/1001454819.db2.gz NPXCACWXCRRUTG-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001402777991 1001498172 /nfs/dbraw/zinc/49/81/72/1001498172.db2.gz NJSWPSJYZWZBKF-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402788543 1001503527 /nfs/dbraw/zinc/50/35/27/1001503527.db2.gz PRIRMGFBYABYQP-CQSZACIVSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC[C@H](C)O3)C[C@H]21 ZINC001402821091 1001516655 /nfs/dbraw/zinc/51/66/55/1001516655.db2.gz TWUDGMVUVNJTET-NBFUAULTSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC[C@H](C)O3)C[C@H]21 ZINC001402821091 1001516660 /nfs/dbraw/zinc/51/66/60/1001516660.db2.gz TWUDGMVUVNJTET-NBFUAULTSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cncn1C ZINC001402897766 1001563491 /nfs/dbraw/zinc/56/34/91/1001563491.db2.gz ZCTIYUCXHLOINK-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cncn1C ZINC001402897766 1001563494 /nfs/dbraw/zinc/56/34/94/1001563494.db2.gz ZCTIYUCXHLOINK-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CN(C)C(=O)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001403061778 1001654547 /nfs/dbraw/zinc/65/45/47/1001654547.db2.gz WKGKKSRMENFNBU-YMAMQOFZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001403163644 1001702278 /nfs/dbraw/zinc/70/22/78/1001702278.db2.gz SGSHJAAXEIZHLF-LSDHHAIUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001403163644 1001702279 /nfs/dbraw/zinc/70/22/79/1001702279.db2.gz SGSHJAAXEIZHLF-LSDHHAIUSA-N 1 3 324.469 0.574 20 0 DCADHO CCn1cc(CN[C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001420015280 1001764158 /nfs/dbraw/zinc/76/41/58/1001764158.db2.gz IJYYTGWRZBUFMH-UONOGXRCSA-N 1 3 322.457 0.767 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCC[C@H]2NC(=O)CCC[NH+](C)C)[nH]1 ZINC001420119224 1001906250 /nfs/dbraw/zinc/90/62/50/1001906250.db2.gz NAYUQWDGVKXQID-UONOGXRCSA-N 1 3 322.457 0.829 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001403547435 1002116471 /nfs/dbraw/zinc/11/64/71/1002116471.db2.gz DHDBWLMXFAPVML-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001403547435 1002116482 /nfs/dbraw/zinc/11/64/82/1002116482.db2.gz DHDBWLMXFAPVML-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001424890951 1002122977 /nfs/dbraw/zinc/12/29/77/1002122977.db2.gz RDDMQUZZXQSPBA-ZDUSSCGKSA-N 1 3 314.474 0.489 20 0 DCADHO C[C@H](NC[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001403556860 1002136259 /nfs/dbraw/zinc/13/62/59/1002136259.db2.gz TVOYZRNUYSQSHE-WCQYABFASA-N 1 3 310.442 0.029 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)Cc1ccccc1 ZINC001420343851 1002256381 /nfs/dbraw/zinc/25/63/81/1002256381.db2.gz KFDJBYNLDILIOM-DLBZAZTESA-N 1 3 319.449 0.590 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)Cc1ccccc1 ZINC001420343851 1002256387 /nfs/dbraw/zinc/25/63/87/1002256387.db2.gz KFDJBYNLDILIOM-DLBZAZTESA-N 1 3 319.449 0.590 20 0 DCADHO C[C@H](CNCc1cncc(F)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001420371954 1002297666 /nfs/dbraw/zinc/29/76/66/1002297666.db2.gz MJYWKAGTRVTIMX-GFCCVEGCSA-N 1 3 306.385 0.911 20 0 DCADHO CCCC[C@H](CNCC(=O)NC)NC(=O)C12CC[NH+](CC1)C2 ZINC001425183054 1002423822 /nfs/dbraw/zinc/42/38/22/1002423822.db2.gz CGICQFNGNQHUNE-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CC[NH+]1CCCCC1 ZINC001403781757 1002514820 /nfs/dbraw/zinc/51/48/20/1002514820.db2.gz UANHOHLGIJYMHB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1=O ZINC001403840397 1002609840 /nfs/dbraw/zinc/60/98/40/1002609840.db2.gz ZAVCLTVMYJGRGL-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](CNCC(=O)Nc2ccon2)C1 ZINC001425420065 1002660399 /nfs/dbraw/zinc/66/03/99/1002660399.db2.gz QSFNGQUTIUIIOH-HAQNSBGRSA-N 1 3 323.397 0.049 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCF ZINC001403908558 1002723882 /nfs/dbraw/zinc/72/38/82/1002723882.db2.gz DJTKIUUYHRUBRP-LSDHHAIUSA-N 1 3 317.449 0.972 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCF ZINC001403908558 1002723894 /nfs/dbraw/zinc/72/38/94/1002723894.db2.gz DJTKIUUYHRUBRP-LSDHHAIUSA-N 1 3 317.449 0.972 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001425538097 1002784202 /nfs/dbraw/zinc/78/42/02/1002784202.db2.gz BJTUHKFLMJCEDS-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001420739438 1002898582 /nfs/dbraw/zinc/89/85/82/1002898582.db2.gz GCLNLEHICICCIM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001420739438 1002898594 /nfs/dbraw/zinc/89/85/94/1002898594.db2.gz GCLNLEHICICCIM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCN(C)C(=O)CN2CCCC2)C1=O ZINC001420745249 1002904333 /nfs/dbraw/zinc/90/43/33/1002904333.db2.gz PWVOEJDSGAAINP-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2cncn2C)C2CC2)C1 ZINC001420759225 1002920302 /nfs/dbraw/zinc/92/03/02/1002920302.db2.gz GJKXEGKEMMORPB-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC001420894391 1003101751 /nfs/dbraw/zinc/10/17/51/1003101751.db2.gz RBLPROAXHADDGX-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC001420894391 1003101756 /nfs/dbraw/zinc/10/17/56/1003101756.db2.gz RBLPROAXHADDGX-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001405856714 1003146063 /nfs/dbraw/zinc/14/60/63/1003146063.db2.gz CKBPIRMXEHNKKY-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)[C@H](C)C1 ZINC001405955509 1003221569 /nfs/dbraw/zinc/22/15/69/1003221569.db2.gz AIXQNMSJDARWCR-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@H]1C ZINC001425899627 1003238663 /nfs/dbraw/zinc/23/86/63/1003238663.db2.gz QKKLMZZAAXHFNT-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@H]1C ZINC001425899627 1003238667 /nfs/dbraw/zinc/23/86/67/1003238667.db2.gz QKKLMZZAAXHFNT-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001405986000 1003241645 /nfs/dbraw/zinc/24/16/45/1003241645.db2.gz GXDXVHKGMORHLE-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001405986000 1003241657 /nfs/dbraw/zinc/24/16/57/1003241657.db2.gz GXDXVHKGMORHLE-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001425948407 1003276427 /nfs/dbraw/zinc/27/64/27/1003276427.db2.gz GFXKMCUJSRLRGM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001425957912 1003284982 /nfs/dbraw/zinc/28/49/82/1003284982.db2.gz FTRCEYUASMKZHA-JSGCOSHPSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C(=O)CN1CCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406087661 1003339357 /nfs/dbraw/zinc/33/93/57/1003339357.db2.gz ZFSFDJUDWNMTMY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C(=O)CN1CCCC1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406087661 1003339365 /nfs/dbraw/zinc/33/93/65/1003339365.db2.gz ZFSFDJUDWNMTMY-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001426120273 1003449745 /nfs/dbraw/zinc/44/97/45/1003449745.db2.gz BREPDWVHNIEPQQ-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)NC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001426120273 1003449749 /nfs/dbraw/zinc/44/97/49/1003449749.db2.gz BREPDWVHNIEPQQ-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001421218673 1003454312 /nfs/dbraw/zinc/45/43/12/1003454312.db2.gz IXONOUZOFQMFGN-RDJZCZTQSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001421218673 1003454316 /nfs/dbraw/zinc/45/43/16/1003454316.db2.gz IXONOUZOFQMFGN-RDJZCZTQSA-N 1 3 319.453 0.806 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](CCCO)CC1 ZINC001421273635 1003494436 /nfs/dbraw/zinc/49/44/36/1003494436.db2.gz LXTLHJRZHBSVIB-UHFFFAOYSA-N 1 3 308.426 0.861 20 0 DCADHO COC[C@H](O)CN1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001421304959 1003521497 /nfs/dbraw/zinc/52/14/97/1003521497.db2.gz VDRWIRQYANCNAB-KFWWJZLASA-N 1 3 315.458 0.113 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001406366336 1003645848 /nfs/dbraw/zinc/64/58/48/1003645848.db2.gz SALXFFLSMXMEBJ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001406366336 1003645850 /nfs/dbraw/zinc/64/58/50/1003645850.db2.gz SALXFFLSMXMEBJ-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)NC1CC(CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001426344942 1003724349 /nfs/dbraw/zinc/72/43/49/1003724349.db2.gz HKSDCOTUPFRQCE-RUXDESIVSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001406769824 1004075692 /nfs/dbraw/zinc/07/56/92/1004075692.db2.gz FLRPIOBYRZSQSW-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001406769824 1004075701 /nfs/dbraw/zinc/07/57/01/1004075701.db2.gz FLRPIOBYRZSQSW-KGLIPLIRSA-N 1 3 310.442 0.078 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC(=O)NC2CC2)C2CC2)CCC1 ZINC001406770263 1004079689 /nfs/dbraw/zinc/07/96/89/1004079689.db2.gz FCLWMSUYUQFCRN-AWEZNQCLSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001427065543 1004191390 /nfs/dbraw/zinc/19/13/90/1004191390.db2.gz FXLSZODIWKQPCG-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1CC ZINC001407108670 1004388766 /nfs/dbraw/zinc/38/87/66/1004388766.db2.gz IYFCLSQMHAASJV-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN1CC[C@@H](NC[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001407123041 1004402690 /nfs/dbraw/zinc/40/26/90/1004402690.db2.gz RXNBTUMIWRKRSG-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)CCCC(=O)NC1(C)CCN(CCn2cncn2)CC1 ZINC001407133899 1004410862 /nfs/dbraw/zinc/41/08/62/1004410862.db2.gz JMFNXUFQFIPBJL-UHFFFAOYSA-N 1 3 322.457 0.591 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001407212837 1004473871 /nfs/dbraw/zinc/47/38/71/1004473871.db2.gz KIBILLQCZJPDTR-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CCCN(C)CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001407301166 1004528584 /nfs/dbraw/zinc/52/85/84/1004528584.db2.gz ANHZXGGITGAVOU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001407301166 1004528593 /nfs/dbraw/zinc/52/85/93/1004528593.db2.gz ANHZXGGITGAVOU-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001407499289 1004693013 /nfs/dbraw/zinc/69/30/13/1004693013.db2.gz OXCIQOTZOYLWRZ-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001407499289 1004693018 /nfs/dbraw/zinc/69/30/18/1004693018.db2.gz OXCIQOTZOYLWRZ-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CCN1CCC[C@](CO)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001407641499 1004780870 /nfs/dbraw/zinc/78/08/70/1004780870.db2.gz SIASDOLPYNXJOS-INIZCTEOSA-N 1 3 323.441 0.021 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@H+](C)CCn2cncn2)C1 ZINC001407921534 1004943732 /nfs/dbraw/zinc/94/37/32/1004943732.db2.gz PIDXXBLRTONGOQ-OAHLLOKOSA-N 1 3 322.457 0.400 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)CCn2cncn2)C1 ZINC001407921534 1004943738 /nfs/dbraw/zinc/94/37/38/1004943738.db2.gz PIDXXBLRTONGOQ-OAHLLOKOSA-N 1 3 322.457 0.400 20 0 DCADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001407934234 1004950148 /nfs/dbraw/zinc/95/01/48/1004950148.db2.gz WOGOOPYLHYTBRS-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CO[C@@H](C)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001408041711 1005000426 /nfs/dbraw/zinc/00/04/26/1005000426.db2.gz VQERHYOYTWPTFU-AWEZNQCLSA-N 1 3 315.458 0.617 20 0 DCADHO CN(CC(=O)N1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001414606221 1005368732 /nfs/dbraw/zinc/36/87/32/1005368732.db2.gz JZQSWDINQDLAST-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001415168960 1005474743 /nfs/dbraw/zinc/47/47/43/1005474743.db2.gz MGDXJSMSUUGZQI-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001415168960 1005474744 /nfs/dbraw/zinc/47/47/44/1005474744.db2.gz MGDXJSMSUUGZQI-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415754379 1005605635 /nfs/dbraw/zinc/60/56/35/1005605635.db2.gz MIBBBBFABWFNRG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415754379 1005605636 /nfs/dbraw/zinc/60/56/36/1005605636.db2.gz MIBBBBFABWFNRG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001416008215 1005647542 /nfs/dbraw/zinc/64/75/42/1005647542.db2.gz NMWGJVNVRLRUDU-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001416008215 1005647544 /nfs/dbraw/zinc/64/75/44/1005647544.db2.gz NMWGJVNVRLRUDU-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001417139191 1005791593 /nfs/dbraw/zinc/79/15/93/1005791593.db2.gz XLMIVYUYQYXAQP-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001417139191 1005791595 /nfs/dbraw/zinc/79/15/95/1005791595.db2.gz XLMIVYUYQYXAQP-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001417319338 1005820299 /nfs/dbraw/zinc/82/02/99/1005820299.db2.gz ADYWSZPIKHYFQV-INIZCTEOSA-N 1 3 312.458 0.386 20 0 DCADHO NC(=O)CN[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001418001412 1005952088 /nfs/dbraw/zinc/95/20/88/1005952088.db2.gz HBHLSYZLPOEHKN-OAHLLOKOSA-N 1 3 322.453 0.078 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001418045839 1005975703 /nfs/dbraw/zinc/97/57/03/1005975703.db2.gz FMMFIFNYMMEMBG-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001418075284 1006008451 /nfs/dbraw/zinc/00/84/51/1006008451.db2.gz WEVFWIOZAPLKOB-HAQNSBGRSA-N 1 3 311.455 0.925 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2snnc2C)C1 ZINC001418075284 1006008461 /nfs/dbraw/zinc/00/84/61/1006008461.db2.gz WEVFWIOZAPLKOB-HAQNSBGRSA-N 1 3 311.455 0.925 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001438721446 1006068411 /nfs/dbraw/zinc/06/84/11/1006068411.db2.gz LJXOWSGPDCVFIO-QWHCGFSZSA-N 1 3 322.457 0.816 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001438721446 1006068427 /nfs/dbraw/zinc/06/84/27/1006068427.db2.gz LJXOWSGPDCVFIO-QWHCGFSZSA-N 1 3 322.457 0.816 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001514719308 1017020117 /nfs/dbraw/zinc/02/01/17/1017020117.db2.gz CTXAIAUSGXYMBZ-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001418147262 1006105441 /nfs/dbraw/zinc/10/54/41/1006105441.db2.gz PVHZYBYJMMTSSL-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436474450 1006204266 /nfs/dbraw/zinc/20/42/66/1006204266.db2.gz YBQPTZHFZXKYME-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418230007 1006211325 /nfs/dbraw/zinc/21/13/25/1006211325.db2.gz XJWJNZDGMSTLJV-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418230007 1006211334 /nfs/dbraw/zinc/21/13/34/1006211334.db2.gz XJWJNZDGMSTLJV-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC1CC1 ZINC001418268843 1006276226 /nfs/dbraw/zinc/27/62/26/1006276226.db2.gz OWMRBJOZVKBGQA-NEPJUHHUSA-N 1 3 310.442 0.090 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418268974 1006278020 /nfs/dbraw/zinc/27/80/20/1006278020.db2.gz JPZKSAXHSYCMLB-SWLSCSKDSA-N 1 3 309.458 0.909 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC001439182132 1006548080 /nfs/dbraw/zinc/54/80/80/1006548080.db2.gz MUIWBQLMODJHJI-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001439286628 1006660094 /nfs/dbraw/zinc/66/00/94/1006660094.db2.gz VPOCTCQICKZBKW-LBPRGKRZSA-N 1 3 306.410 0.202 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001437207618 1006708030 /nfs/dbraw/zinc/70/80/30/1006708030.db2.gz NSGUHLGLFFLUNH-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439365844 1006761269 /nfs/dbraw/zinc/76/12/69/1006761269.db2.gz MDSAFPHSGNMFAM-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439365844 1006761288 /nfs/dbraw/zinc/76/12/88/1006761288.db2.gz MDSAFPHSGNMFAM-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001439407804 1006829983 /nfs/dbraw/zinc/82/99/83/1006829983.db2.gz NKJRLQOAMRLHDL-CQSZACIVSA-N 1 3 322.453 0.662 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001439407804 1006829998 /nfs/dbraw/zinc/82/99/98/1006829998.db2.gz NKJRLQOAMRLHDL-CQSZACIVSA-N 1 3 322.453 0.662 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439412163 1006831953 /nfs/dbraw/zinc/83/19/53/1006831953.db2.gz UODOSCSOUHIVRM-HIFRSBDPSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@H](CN(C)CCc1cnn(C)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439412163 1006831960 /nfs/dbraw/zinc/83/19/60/1006831960.db2.gz UODOSCSOUHIVRM-HIFRSBDPSA-N 1 3 307.442 0.351 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NCc1nncn1C ZINC001439519087 1006949220 /nfs/dbraw/zinc/94/92/20/1006949220.db2.gz VNZOPBOOUBEUNX-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001452701723 1006998673 /nfs/dbraw/zinc/99/86/73/1006998673.db2.gz KSCGMGRXJCFAGF-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001452701723 1006998684 /nfs/dbraw/zinc/99/86/84/1006998684.db2.gz KSCGMGRXJCFAGF-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C[C@@H]1CCc2ncnn21)[NH+](C)C ZINC001437477280 1007018832 /nfs/dbraw/zinc/01/88/32/1007018832.db2.gz LJJNTVFHROYVHS-ZFWWWQNUSA-N 1 3 322.457 0.400 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439783541 1007194463 /nfs/dbraw/zinc/19/44/63/1007194463.db2.gz IBEYDLKDRDKYEE-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439783541 1007194466 /nfs/dbraw/zinc/19/44/66/1007194466.db2.gz IBEYDLKDRDKYEE-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCCC1)C(=O)N1CCCCC1 ZINC001437846852 1007461189 /nfs/dbraw/zinc/46/11/89/1007461189.db2.gz NSLMULWHZVEUFU-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCO)C1 ZINC001437895298 1007483197 /nfs/dbraw/zinc/48/31/97/1007483197.db2.gz QMPXBYIYUWQIMD-HOTGVXAUSA-N 1 3 309.454 0.633 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@]2(CO)CCCN(CCCF)C2)CC1 ZINC001440176874 1007549194 /nfs/dbraw/zinc/54/91/94/1007549194.db2.gz BKMDJWDTBWGGPK-INIZCTEOSA-N 1 3 315.433 0.631 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001437994270 1007575865 /nfs/dbraw/zinc/57/58/65/1007575865.db2.gz VIKUTVJWDKWPIF-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001440300442 1007653051 /nfs/dbraw/zinc/65/30/51/1007653051.db2.gz DZZJDNJGDMUQTK-NFAWXSAZSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@H](C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001440350250 1007685862 /nfs/dbraw/zinc/68/58/62/1007685862.db2.gz DAQKZMZHXXAUEA-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C)NC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001440350250 1007685871 /nfs/dbraw/zinc/68/58/71/1007685871.db2.gz DAQKZMZHXXAUEA-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(=O)N3CCCC3)CCC2)C1 ZINC001440353546 1007688853 /nfs/dbraw/zinc/68/88/53/1007688853.db2.gz MVBACQMFJZVWMH-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(=O)N3CCCC3)CCC2)C1 ZINC001440353546 1007688858 /nfs/dbraw/zinc/68/88/58/1007688858.db2.gz MVBACQMFJZVWMH-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)NC ZINC001438312045 1007809905 /nfs/dbraw/zinc/80/99/05/1007809905.db2.gz LEAMJMFVVAJEFU-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(=O)NC ZINC001438312045 1007809916 /nfs/dbraw/zinc/80/99/16/1007809916.db2.gz LEAMJMFVVAJEFU-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001438312997 1007813925 /nfs/dbraw/zinc/81/39/25/1007813925.db2.gz PKJAFJUTWFRBIL-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]([NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001438437199 1007906936 /nfs/dbraw/zinc/90/69/36/1007906936.db2.gz XOAITLUILRTPSX-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CNC(=O)CN1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001440751412 1007997721 /nfs/dbraw/zinc/99/77/21/1007997721.db2.gz VXYDAGAMNRRTNJ-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO Cn1cc(CCN2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cn1 ZINC001441253572 1008291367 /nfs/dbraw/zinc/29/13/67/1008291367.db2.gz LTYRGVXDQLYTLI-OAHLLOKOSA-N 1 3 321.469 0.741 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CCO)C2)CC1 ZINC001441290044 1008308959 /nfs/dbraw/zinc/30/89/59/1008308959.db2.gz DREQOGMJPKOIMU-INIZCTEOSA-N 1 3 311.470 0.881 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCO)C2)CC1 ZINC001441290044 1008308963 /nfs/dbraw/zinc/30/89/63/1008308963.db2.gz DREQOGMJPKOIMU-INIZCTEOSA-N 1 3 311.470 0.881 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001441388328 1008343137 /nfs/dbraw/zinc/34/31/37/1008343137.db2.gz NOVRXIJHJFOZPU-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CCNC(=O)CN(C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001441388328 1008343141 /nfs/dbraw/zinc/34/31/41/1008343141.db2.gz NOVRXIJHJFOZPU-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001441508905 1008382637 /nfs/dbraw/zinc/38/26/37/1008382637.db2.gz HADDICSWLMWGTD-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001441528016 1008390996 /nfs/dbraw/zinc/39/09/96/1008390996.db2.gz WUSAVRQBQVHPBG-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001441528016 1008390998 /nfs/dbraw/zinc/39/09/98/1008390998.db2.gz WUSAVRQBQVHPBG-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001441539989 1008395533 /nfs/dbraw/zinc/39/55/33/1008395533.db2.gz JVEKXGGOVBSHKY-MJBXVCDLSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@H]1C ZINC001441827348 1008524938 /nfs/dbraw/zinc/52/49/38/1008524938.db2.gz VIOBTPADHBVQNQ-UKRRQHHQSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001441841739 1008557896 /nfs/dbraw/zinc/55/78/96/1008557896.db2.gz ZNLCQXNYLBXNLI-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001441841739 1008557905 /nfs/dbraw/zinc/55/79/05/1008557905.db2.gz ZNLCQXNYLBXNLI-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001421426811 1008571602 /nfs/dbraw/zinc/57/16/02/1008571602.db2.gz TXTPZGVLYUGIFX-GOEBONIOSA-N 1 3 319.453 0.746 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001441875927 1008612622 /nfs/dbraw/zinc/61/26/22/1008612622.db2.gz QELWDQGCUVHVHD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001441875927 1008612628 /nfs/dbraw/zinc/61/26/28/1008612628.db2.gz QELWDQGCUVHVHD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001441892325 1008627995 /nfs/dbraw/zinc/62/79/95/1008627995.db2.gz LBJVPUJPNYAQKJ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001453674332 1008656772 /nfs/dbraw/zinc/65/67/72/1008656772.db2.gz HXKBFBSMWHVHPM-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1n[nH]c(C)n1 ZINC001421506610 1008672716 /nfs/dbraw/zinc/67/27/16/1008672716.db2.gz YBMDKNWOLHQNJI-AWEZNQCLSA-N 1 3 322.457 0.974 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001441935772 1008674675 /nfs/dbraw/zinc/67/46/75/1008674675.db2.gz OZGUJQAZCRSGNH-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001441935772 1008674682 /nfs/dbraw/zinc/67/46/82/1008674682.db2.gz OZGUJQAZCRSGNH-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001441935314 1008676245 /nfs/dbraw/zinc/67/62/45/1008676245.db2.gz JOCVVHREVAZDLM-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001441934096 1008676925 /nfs/dbraw/zinc/67/69/25/1008676925.db2.gz WOWYEHUCVYKSQF-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001441942340 1008682447 /nfs/dbraw/zinc/68/24/47/1008682447.db2.gz BVLXVKDKDMNNAA-STQMWFEESA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001453719902 1008682833 /nfs/dbraw/zinc/68/28/33/1008682833.db2.gz HJMBCATUKVXHAX-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC001421563843 1008733577 /nfs/dbraw/zinc/73/35/77/1008733577.db2.gz VBQWTFYGZHWFQF-GJZGRUSLSA-N 1 3 321.469 0.944 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N[C@H]2CCCNC2=O)CC1 ZINC001441997250 1008778253 /nfs/dbraw/zinc/77/82/53/1008778253.db2.gz OTBLBMJOIPIAJO-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001421643602 1008858930 /nfs/dbraw/zinc/85/89/30/1008858930.db2.gz GBOUNSUBWRLIKQ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001421643602 1008858945 /nfs/dbraw/zinc/85/89/45/1008858945.db2.gz GBOUNSUBWRLIKQ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CO[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442057017 1008894973 /nfs/dbraw/zinc/89/49/73/1008894973.db2.gz WHRITENMHXUUAL-KBPBESRZSA-N 1 3 315.458 0.257 20 0 DCADHO CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442057017 1008894988 /nfs/dbraw/zinc/89/49/88/1008894988.db2.gz WHRITENMHXUUAL-KBPBESRZSA-N 1 3 315.458 0.257 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001454405263 1009121878 /nfs/dbraw/zinc/12/18/78/1009121878.db2.gz RVGUVIFHBPMSMD-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001454405263 1009121881 /nfs/dbraw/zinc/12/18/81/1009121881.db2.gz RVGUVIFHBPMSMD-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001442337274 1009195410 /nfs/dbraw/zinc/19/54/10/1009195410.db2.gz RAMKKGSYFRZJTI-HIFRSBDPSA-N 1 3 322.457 0.674 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001442363305 1009220069 /nfs/dbraw/zinc/22/00/69/1009220069.db2.gz ZXBQXXGCUMAHIW-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001421943283 1009294146 /nfs/dbraw/zinc/29/41/46/1009294146.db2.gz ZJTUADQBEMAFNX-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C(=O)Cc1c[nH]cn1 ZINC001421957221 1009314059 /nfs/dbraw/zinc/31/40/59/1009314059.db2.gz LRGJNGJHZIOQMF-LBPRGKRZSA-N 1 3 317.393 0.288 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001442531305 1009445049 /nfs/dbraw/zinc/44/50/49/1009445049.db2.gz RURJJXVZEXGNMN-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001442531296 1009445551 /nfs/dbraw/zinc/44/55/51/1009445551.db2.gz RURJJXVZEXGNMN-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC(=O)N(C)C)CC1 ZINC001422073724 1009458678 /nfs/dbraw/zinc/45/86/78/1009458678.db2.gz KUSLCHZBSDGQOH-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001455072566 1009475970 /nfs/dbraw/zinc/47/59/70/1009475970.db2.gz JHJOYZQLLHZRMX-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001455072566 1009475977 /nfs/dbraw/zinc/47/59/77/1009475977.db2.gz JHJOYZQLLHZRMX-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001422152173 1009561217 /nfs/dbraw/zinc/56/12/17/1009561217.db2.gz SLOAYRGGTRXMFH-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001422262163 1009725928 /nfs/dbraw/zinc/72/59/28/1009725928.db2.gz CVTXJIBHOPARFG-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001422281380 1009767844 /nfs/dbraw/zinc/76/78/44/1009767844.db2.gz RHHYSSIGOOYHMV-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001422416078 1010050908 /nfs/dbraw/zinc/05/09/08/1010050908.db2.gz LYDSHQQXZPNMSA-KGLIPLIRSA-N 1 3 322.453 0.710 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001422493736 1010177388 /nfs/dbraw/zinc/17/73/88/1010177388.db2.gz WRLWPQWTFDDNAH-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001443188131 1010200090 /nfs/dbraw/zinc/20/00/90/1010200090.db2.gz MJXMAJNATSLZOP-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422587654 1010358599 /nfs/dbraw/zinc/35/85/99/1010358599.db2.gz CCIICNUSGNTSJM-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001422607467 1010395445 /nfs/dbraw/zinc/39/54/45/1010395445.db2.gz RYCOBJOLEBUWAM-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422648879 1010454321 /nfs/dbraw/zinc/45/43/21/1010454321.db2.gz LIKFJYXFQRGTGF-NJZAAPMLSA-N 1 3 307.442 0.663 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422648879 1010454324 /nfs/dbraw/zinc/45/43/24/1010454324.db2.gz LIKFJYXFQRGTGF-NJZAAPMLSA-N 1 3 307.442 0.663 20 0 DCADHO CCC(CC)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422741701 1010555714 /nfs/dbraw/zinc/55/57/14/1010555714.db2.gz AQRNYUZNHLQQAD-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422741701 1010555721 /nfs/dbraw/zinc/55/57/21/1010555721.db2.gz AQRNYUZNHLQQAD-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](NCCF)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001422850283 1010671353 /nfs/dbraw/zinc/67/13/53/1010671353.db2.gz GGRNXPNSBWVYKB-DZGCQCFKSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001423485198 1011179774 /nfs/dbraw/zinc/17/97/74/1011179774.db2.gz XVSIIAMWOQSICE-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1 ZINC001423535876 1011224830 /nfs/dbraw/zinc/22/48/30/1011224830.db2.gz YHSWRKLNQUGUFH-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@H](O)CN(C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001423579981 1011306788 /nfs/dbraw/zinc/30/67/88/1011306788.db2.gz PNTLIMQTDAPOAX-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@H](O)CN(C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001423579981 1011306796 /nfs/dbraw/zinc/30/67/96/1011306796.db2.gz PNTLIMQTDAPOAX-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001423620767 1011352547 /nfs/dbraw/zinc/35/25/47/1011352547.db2.gz LMKNATDKKRKFMH-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001423641768 1011380899 /nfs/dbraw/zinc/38/08/99/1011380899.db2.gz GCSWNKCAXFHDJO-BBRMVZONSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+]1CCC(C(=O)NCC2(NCCF)CCOCC2)CC1 ZINC001423717001 1011446128 /nfs/dbraw/zinc/44/61/28/1011446128.db2.gz AMCGYHGRNGUQBH-UHFFFAOYSA-N 1 3 301.406 0.553 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1ccsc1)C1CCC1 ZINC001445193042 1011506057 /nfs/dbraw/zinc/50/60/57/1011506057.db2.gz OBTUFJXYQQTMLA-AWEZNQCLSA-N 1 3 311.451 0.799 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC001456929835 1011529951 /nfs/dbraw/zinc/52/99/51/1011529951.db2.gz IQIRCSIYJFULBM-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2cncc(F)c2)C1 ZINC001445273900 1011606453 /nfs/dbraw/zinc/60/64/53/1011606453.db2.gz JMCXTEYMZNVJBD-WFASDCNBSA-N 1 3 324.400 0.129 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2cncc(F)c2)C1 ZINC001445273900 1011606461 /nfs/dbraw/zinc/60/64/61/1011606461.db2.gz JMCXTEYMZNVJBD-WFASDCNBSA-N 1 3 324.400 0.129 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001445427829 1011757845 /nfs/dbraw/zinc/75/78/45/1011757845.db2.gz QLCJEDRSRPWTQE-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001423957005 1011773431 /nfs/dbraw/zinc/77/34/31/1011773431.db2.gz PAMZBOOWRCLCAQ-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001445479569 1011808417 /nfs/dbraw/zinc/80/84/17/1011808417.db2.gz KRZRRBHNSZUJMT-SCZZXKLOSA-N 1 3 322.331 0.668 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001432077191 1011942216 /nfs/dbraw/zinc/94/22/16/1011942216.db2.gz JDUQCQHRXSSVLL-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001432077191 1011942222 /nfs/dbraw/zinc/94/22/22/1011942222.db2.gz JDUQCQHRXSSVLL-CQSZACIVSA-N 1 3 321.425 0.401 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@@H]([NH3+])[C@@H](c3cn(C)cn3)C2)C1 ZINC001553431178 1011968756 /nfs/dbraw/zinc/96/87/56/1011968756.db2.gz AQMDUVWPPNHONA-MELADBBJSA-N 1 3 320.441 0.341 20 0 DCADHO CCN1CCC[C@@H](NC(=O)N[C@H]2C[NH2+]CC23CCOCC3)C1 ZINC001553439613 1011974442 /nfs/dbraw/zinc/97/44/42/1011974442.db2.gz UTMNAFWQWWIPNN-KGLIPLIRSA-N 1 3 310.442 0.539 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001445604135 1011987407 /nfs/dbraw/zinc/98/74/07/1011987407.db2.gz HYHQMFLDWJMZMP-AVGNSLFASA-N 1 3 308.430 0.200 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553512594 1012059783 /nfs/dbraw/zinc/05/97/83/1012059783.db2.gz FGVUAOCZGWFZQL-XQLPTFJDSA-N 1 3 310.442 0.368 20 0 DCADHO CN(CCCN(C)[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001424331592 1012386434 /nfs/dbraw/zinc/38/64/34/1012386434.db2.gz NBVBENQPDIKFBM-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCN(C)[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001424331592 1012386449 /nfs/dbraw/zinc/38/64/49/1012386449.db2.gz NBVBENQPDIKFBM-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001445983414 1012481594 /nfs/dbraw/zinc/48/15/94/1012481594.db2.gz CYDUDNLBXVJXRY-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001445983414 1012481602 /nfs/dbraw/zinc/48/16/02/1012481602.db2.gz CYDUDNLBXVJXRY-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C1(C(=O)NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001458940703 1012484330 /nfs/dbraw/zinc/48/43/30/1012484330.db2.gz BZZHRQJWOXSFBT-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001458940703 1012484338 /nfs/dbraw/zinc/48/43/38/1012484338.db2.gz BZZHRQJWOXSFBT-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001432455804 1012506895 /nfs/dbraw/zinc/50/68/95/1012506895.db2.gz WYOROZQRGDAAMQ-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001432455804 1012506911 /nfs/dbraw/zinc/50/69/11/1012506911.db2.gz WYOROZQRGDAAMQ-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548588552 1012769256 /nfs/dbraw/zinc/76/92/56/1012769256.db2.gz XMYORBXXHYWEDY-OAHLLOKOSA-N 1 3 303.406 0.537 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](CC)NC(=O)C12CC[NH+](CC1)C2 ZINC001432763078 1012852567 /nfs/dbraw/zinc/85/25/67/1012852567.db2.gz TXGOWXHBGYHLRC-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[N@H+](C[C@@H](O)CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1)C1CC1 ZINC001460249186 1012886394 /nfs/dbraw/zinc/88/63/94/1012886394.db2.gz SIMSDWHJWMJEAU-IXDOHACOSA-N 1 3 317.433 0.642 20 0 DCADHO C[N@@H+](C[C@@H](O)CN1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1)C1CC1 ZINC001460249186 1012886416 /nfs/dbraw/zinc/88/64/16/1012886416.db2.gz SIMSDWHJWMJEAU-IXDOHACOSA-N 1 3 317.433 0.642 20 0 DCADHO O=C1OC[C@@H]2CN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001460570415 1012938396 /nfs/dbraw/zinc/93/83/96/1012938396.db2.gz YFEZEIWXJUHPQO-XYJFISCASA-N 1 3 316.401 0.728 20 0 DCADHO O=C1OC[C@@H]2CN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001460570415 1012938405 /nfs/dbraw/zinc/93/84/05/1012938405.db2.gz YFEZEIWXJUHPQO-XYJFISCASA-N 1 3 316.401 0.728 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001429969758 1013004886 /nfs/dbraw/zinc/00/48/86/1013004886.db2.gz PKRNFCWLBSBTBR-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001429969758 1013004903 /nfs/dbraw/zinc/00/49/03/1013004903.db2.gz PKRNFCWLBSBTBR-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1)C(N)=O ZINC001479315895 1017495565 /nfs/dbraw/zinc/49/55/65/1017495565.db2.gz QWJBJXVPUHCPSL-MJBXVCDLSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](NCCF)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001506841433 1017602550 /nfs/dbraw/zinc/60/25/50/1017602550.db2.gz BDHXANDCTCMZMN-CHWSQXEVSA-N 1 3 301.406 0.503 20 0 DCADHO C[C@H](CCC[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001506924850 1017673741 /nfs/dbraw/zinc/67/37/41/1017673741.db2.gz QHPFUCBMYPFYHV-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479832892 1017839124 /nfs/dbraw/zinc/83/91/24/1017839124.db2.gz JMMBHDYKEZLTCX-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001497272778 1018009937 /nfs/dbraw/zinc/00/99/37/1018009937.db2.gz SNFAGYZVRFZSFZ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499918367 1018135375 /nfs/dbraw/zinc/13/53/75/1018135375.db2.gz CSMGPYYFRFMIBK-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499918367 1018135382 /nfs/dbraw/zinc/13/53/82/1018135382.db2.gz CSMGPYYFRFMIBK-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001499920835 1018137567 /nfs/dbraw/zinc/13/75/67/1018137567.db2.gz MKDDQYJLLGCGRT-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001499920835 1018137576 /nfs/dbraw/zinc/13/75/76/1018137576.db2.gz MKDDQYJLLGCGRT-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH2+]CCO)C2CC2)c1 ZINC001480065338 1018178020 /nfs/dbraw/zinc/17/80/20/1018178020.db2.gz HHLAUUGABBQULA-MRXNPFEDSA-N 1 3 305.422 0.839 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)N2CCCC2)C1 ZINC001497674675 1018326543 /nfs/dbraw/zinc/32/65/43/1018326543.db2.gz LAEYGOIFWHABLU-GWQWAINWSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)N2CCCC2)C1 ZINC001497674675 1018326553 /nfs/dbraw/zinc/32/65/53/1018326553.db2.gz LAEYGOIFWHABLU-GWQWAINWSA-N 1 3 322.453 0.213 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)nnn2CC)C1)N(C)C ZINC001480223593 1018333967 /nfs/dbraw/zinc/33/39/67/1018333967.db2.gz DUOWUXZOBIXHQW-MJBXVCDLSA-N 1 3 322.457 0.683 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001480225152 1018335863 /nfs/dbraw/zinc/33/58/63/1018335863.db2.gz ZEKIEUUUIDDHFK-BARDWOONSA-N 1 3 324.469 0.573 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001480232492 1018345092 /nfs/dbraw/zinc/34/50/92/1018345092.db2.gz UUSNYTOSELLLMZ-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001480301454 1018411860 /nfs/dbraw/zinc/41/18/60/1018411860.db2.gz XCGWVUKWDFVNQN-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001500382296 1018432421 /nfs/dbraw/zinc/43/24/21/1018432421.db2.gz OSIYRTHPHAGKOD-XJKSGUPXSA-N 1 3 308.426 0.941 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001497831493 1018456337 /nfs/dbraw/zinc/45/63/37/1018456337.db2.gz NHSGQCYNPPEBJO-DGCLKSJQSA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001497831493 1018456344 /nfs/dbraw/zinc/45/63/44/1018456344.db2.gz NHSGQCYNPPEBJO-DGCLKSJQSA-N 1 3 308.430 0.582 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001480367938 1018468034 /nfs/dbraw/zinc/46/80/34/1018468034.db2.gz SIDNXSUHOFHITB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480367938 1018468044 /nfs/dbraw/zinc/46/80/44/1018468044.db2.gz SIDNXSUHOFHITB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCc1cccc(C(N)=O)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983554 1018561742 /nfs/dbraw/zinc/56/17/42/1018561742.db2.gz GODDJULUFCGYKF-DOMZBBRYSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@H](CNCc1cccc(C(N)=O)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497983554 1018561755 /nfs/dbraw/zinc/56/17/55/1018561755.db2.gz GODDJULUFCGYKF-DOMZBBRYSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498055141 1018616250 /nfs/dbraw/zinc/61/62/50/1018616250.db2.gz KODNZYYMJBNVFV-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001498055141 1018616254 /nfs/dbraw/zinc/61/62/54/1018616254.db2.gz KODNZYYMJBNVFV-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498060173 1018621338 /nfs/dbraw/zinc/62/13/38/1018621338.db2.gz IEUXDBFFPOMIDI-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001495683114 1018648086 /nfs/dbraw/zinc/64/80/86/1018648086.db2.gz HETSGENTTXESKG-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNCc1ccn(C)n1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495694410 1018655394 /nfs/dbraw/zinc/65/53/94/1018655394.db2.gz DYCSAIVRKAGDNJ-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001498105846 1018656776 /nfs/dbraw/zinc/65/67/76/1018656776.db2.gz PDKHYCAAODWBOQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001495731457 1018672006 /nfs/dbraw/zinc/67/20/06/1018672006.db2.gz XVGSLLNEVRTTCL-LLVKDONJSA-N 1 3 311.455 0.722 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CCCC1 ZINC001480596938 1018692429 /nfs/dbraw/zinc/69/24/29/1018692429.db2.gz NBSABVDJPNHSLO-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO Cn1cc(CN[C@H]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)nn1 ZINC001480699060 1018788172 /nfs/dbraw/zinc/78/81/72/1018788172.db2.gz RNGYQKBYIAOZGP-UONOGXRCSA-N 1 3 322.457 0.674 20 0 DCADHO C[C@H]([NH2+]CCn1cccn1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070202 1018858779 /nfs/dbraw/zinc/85/87/79/1018858779.db2.gz BSSOYYNNKMZAOC-UONOGXRCSA-N 1 3 316.409 0.676 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001496028012 1018984503 /nfs/dbraw/zinc/98/45/03/1018984503.db2.gz KWTCFYCETYMJLN-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496098180 1019066935 /nfs/dbraw/zinc/06/69/35/1019066935.db2.gz UHFVKOZYXFZYHU-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](O)C[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001496508648 1019362907 /nfs/dbraw/zinc/36/29/07/1019362907.db2.gz KBFYPIHXFZJGQX-CYBMUJFWSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@@H](O)C[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001496508648 1019362926 /nfs/dbraw/zinc/36/29/26/1019362926.db2.gz KBFYPIHXFZJGQX-CYBMUJFWSA-N 1 3 308.426 0.894 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001496563406 1019416491 /nfs/dbraw/zinc/41/64/91/1019416491.db2.gz XVYSSQRQRJVJSM-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C(C)C ZINC001496603091 1019445712 /nfs/dbraw/zinc/44/57/12/1019445712.db2.gz NNGUZIWCCJKBIF-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC/C=C\CNC(=O)CN1CCCC1 ZINC001501864871 1019526921 /nfs/dbraw/zinc/52/69/21/1019526921.db2.gz NPAGYJRNJILWAL-MPNWYJEXSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC/C=C\CNC(=O)CN1CCCC1 ZINC001501864871 1019526936 /nfs/dbraw/zinc/52/69/36/1019526936.db2.gz NPAGYJRNJILWAL-MPNWYJEXSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001502077265 1019690757 /nfs/dbraw/zinc/69/07/57/1019690757.db2.gz SATMRUWTXXXVTF-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO CN(CCN1CC[NH+](CCC2CC2)CC1)C(=O)CN1CCCC1 ZINC001494108615 1019986953 /nfs/dbraw/zinc/98/69/53/1019986953.db2.gz SVFUZBVMKMXNED-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000080117242 545688513 /nfs/dbraw/zinc/68/85/13/545688513.db2.gz TWAKVSQBRDEHGJ-ZDUSSCGKSA-N 1 3 312.458 0.879 20 0 DCADHO COC1CCN(CCNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000080117242 545688517 /nfs/dbraw/zinc/68/85/17/545688517.db2.gz TWAKVSQBRDEHGJ-ZDUSSCGKSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H]1NCCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@H]1C ZINC000333642474 291193931 /nfs/dbraw/zinc/19/39/31/291193931.db2.gz IMFHLPFCODSIEO-QVOMUQBLSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@H]1NCCN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@H]1C ZINC000333642474 291193932 /nfs/dbraw/zinc/19/39/32/291193932.db2.gz IMFHLPFCODSIEO-QVOMUQBLSA-N 1 3 323.485 0.595 20 0 DCADHO COCCCN(C)CCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000566194049 291280190 /nfs/dbraw/zinc/28/01/90/291280190.db2.gz QGZJLNGVDNIFPE-UHFFFAOYSA-N 1 3 308.426 0.913 20 0 DCADHO CC1CCN(CCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000566440115 291301341 /nfs/dbraw/zinc/30/13/41/291301341.db2.gz YGWSAOVIYURFEL-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000415274034 239538764 /nfs/dbraw/zinc/53/87/64/239538764.db2.gz WHWLMOCOVBJIFP-AWEZNQCLSA-N 1 3 318.421 0.679 20 0 DCADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C(=O)NCC[NH+](C)C ZINC000566463024 291304605 /nfs/dbraw/zinc/30/46/05/291304605.db2.gz SMCWSVNAWNGHFC-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417566201 239791465 /nfs/dbraw/zinc/79/14/65/239791465.db2.gz MGCPGTXVARCXOP-HRCADAONSA-N 1 3 324.469 0.785 20 0 DCADHO O=c1n2ccccc2nn1CCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332076 240021145 /nfs/dbraw/zinc/02/11/45/240021145.db2.gz RGPFCNGSEOYAEL-GJZGRUSLSA-N 1 3 315.421 0.818 20 0 DCADHO CC[C@@H]([NH3+])CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420447353 240032788 /nfs/dbraw/zinc/03/27/88/240032788.db2.gz VFGUMPWUQSSXQN-GFCCVEGCSA-N 1 3 317.459 0.077 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000420022384 240005823 /nfs/dbraw/zinc/00/58/23/240005823.db2.gz VTNJEQYKZXAVRG-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000423782413 240247014 /nfs/dbraw/zinc/24/70/14/240247014.db2.gz ZJOBNIPLGRPUBY-WFASDCNBSA-N 1 3 305.426 0.899 20 0 DCADHO C[C@@H](Cc1cnccn1)NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000567227553 291343277 /nfs/dbraw/zinc/34/32/77/291343277.db2.gz NIOQWROVCHFKMX-NSHDSACASA-N 1 3 301.398 0.783 20 0 DCADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[n-]1 ZINC000567227553 291343280 /nfs/dbraw/zinc/34/32/80/291343280.db2.gz NIOQWROVCHFKMX-NSHDSACASA-N 1 3 301.398 0.783 20 0 DCADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN1CCCO ZINC000457781996 241035328 /nfs/dbraw/zinc/03/53/28/241035328.db2.gz DIWWOMRRQMGDDW-ZBFHGGJFSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN1CCCO ZINC000457781996 241035331 /nfs/dbraw/zinc/03/53/31/241035331.db2.gz DIWWOMRRQMGDDW-ZBFHGGJFSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000457835416 241042030 /nfs/dbraw/zinc/04/20/30/241042030.db2.gz KYUJVEQWGVYRPD-ARFHVFGLSA-N 1 3 324.469 0.759 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000457835416 241042039 /nfs/dbraw/zinc/04/20/39/241042039.db2.gz KYUJVEQWGVYRPD-ARFHVFGLSA-N 1 3 324.469 0.759 20 0 DCADHO N[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000567586725 291362789 /nfs/dbraw/zinc/36/27/89/291362789.db2.gz BPBHLATWVDGJPV-UONOGXRCSA-N 1 3 314.393 0.460 20 0 DCADHO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc2c(c1)CNC2 ZINC000567897201 291388956 /nfs/dbraw/zinc/38/89/56/291388956.db2.gz LRRDRUNBQANDKB-UHFFFAOYSA-N 1 3 313.365 0.070 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000187164909 261122943 /nfs/dbraw/zinc/12/29/43/261122943.db2.gz LMSGHXSTFQNAHA-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001646564234 1172426545 /nfs/dbraw/zinc/42/65/45/1172426545.db2.gz IPRFWMLIOKYHGI-KFWWJZLASA-N 1 3 311.474 0.439 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@@H]1C[NH3+] ZINC000572111620 291548800 /nfs/dbraw/zinc/54/88/00/291548800.db2.gz MQIOTMGUGIWBKV-QLFBSQMISA-N 1 3 322.453 0.126 20 0 DCADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])CCN2C1=O ZINC000573138482 291613871 /nfs/dbraw/zinc/61/38/71/291613871.db2.gz MGPAAAGVLDUNHL-ZOBORPQBSA-N 1 3 308.426 0.055 20 0 DCADHO CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000457485497 535471359 /nfs/dbraw/zinc/47/13/59/535471359.db2.gz OGUACZDSNFYRJU-HNNXBMFYSA-N 1 3 312.458 0.617 20 0 DCADHO CC[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N(C)C ZINC000338970974 253017357 /nfs/dbraw/zinc/01/73/57/253017357.db2.gz OHPSBHSNCUYIEQ-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339652482 253121925 /nfs/dbraw/zinc/12/19/25/253121925.db2.gz WAHWJYPCHCVXKI-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000340481786 253263354 /nfs/dbraw/zinc/26/33/54/253263354.db2.gz SUSNPIGCENIZFU-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000340481786 253263356 /nfs/dbraw/zinc/26/33/56/253263356.db2.gz SUSNPIGCENIZFU-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCN1CCCC1)C[NH+]1CCCC1 ZINC000340809290 253307710 /nfs/dbraw/zinc/30/77/10/253307710.db2.gz ZKTHTDGHAAKQOU-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC(CC(=O)N[C@H](C)CN(C)C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346165029 254018087 /nfs/dbraw/zinc/01/80/87/254018087.db2.gz DKCJLRDYZDYHDN-ZIAGYGMSSA-N 1 3 314.474 0.535 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347038423 254124082 /nfs/dbraw/zinc/12/40/82/254124082.db2.gz YKRLVUKGNWFIOL-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347038423 254124084 /nfs/dbraw/zinc/12/40/84/254124084.db2.gz YKRLVUKGNWFIOL-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347978846 254208382 /nfs/dbraw/zinc/20/83/82/254208382.db2.gz QCEJQPBLGWYKPV-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347978846 254208383 /nfs/dbraw/zinc/20/83/83/254208383.db2.gz QCEJQPBLGWYKPV-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO COCCNCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000349250593 254278475 /nfs/dbraw/zinc/27/84/75/254278475.db2.gz YEOXLZNRWGEEQH-UHFFFAOYSA-N 1 3 318.421 0.956 20 0 DCADHO NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351475799 254337796 /nfs/dbraw/zinc/33/77/96/254337796.db2.gz JGBDRXJWUVIULI-QEJZJMRPSA-N 1 3 316.405 0.783 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000349938942 254304989 /nfs/dbraw/zinc/30/49/89/254304989.db2.gz VKKRNZVPDTXTPD-HNNXBMFYSA-N 1 3 324.469 0.977 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000349989186 254307381 /nfs/dbraw/zinc/30/73/81/254307381.db2.gz FOGISXZGKOVVRE-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000349989186 254307382 /nfs/dbraw/zinc/30/73/82/254307382.db2.gz FOGISXZGKOVVRE-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(C)CCOCCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000351668268 254358099 /nfs/dbraw/zinc/35/80/99/254358099.db2.gz UYQAJOWTYKMKJZ-UHFFFAOYSA-N 1 3 300.447 0.692 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC ZINC000080603646 285244288 /nfs/dbraw/zinc/24/42/88/285244288.db2.gz ZZPXUCWLZALONE-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC ZINC000080603646 285244289 /nfs/dbraw/zinc/24/42/89/285244289.db2.gz ZZPXUCWLZALONE-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CN(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)Cc1ccccc1 ZINC000123259577 395892981 /nfs/dbraw/zinc/89/29/81/395892981.db2.gz RESRTUIIJUVWCY-KRWDZBQOSA-N 1 3 322.453 0.730 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236648431 395895375 /nfs/dbraw/zinc/89/53/75/395895375.db2.gz MXVKIIHRRULAMC-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@@H](N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000237430296 395912680 /nfs/dbraw/zinc/91/26/80/395912680.db2.gz XKSRGEFJAKRANB-ZBFHGGJFSA-N 1 3 304.438 0.686 20 0 DCADHO C[C@H](CC(=O)NCCCN1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000237621328 395916624 /nfs/dbraw/zinc/91/66/24/395916624.db2.gz ZLQKHRWRDSYQQC-OAHLLOKOSA-N 1 3 310.486 0.766 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000120071668 395880724 /nfs/dbraw/zinc/88/07/24/395880724.db2.gz JCJHAUSKIYDDBC-RDJZCZTQSA-N 1 3 322.453 0.901 20 0 DCADHO COc1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1OC ZINC000261730511 396060282 /nfs/dbraw/zinc/06/02/82/396060282.db2.gz MRVUCEPMPWJQCU-AWEZNQCLSA-N 1 3 321.421 0.991 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261871325 396074083 /nfs/dbraw/zinc/07/40/83/396074083.db2.gz SZKCQOBQRPXAMR-KGLIPLIRSA-N 1 3 313.442 0.498 20 0 DCADHO C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)CN1CCN(C)CC1 ZINC000178877635 396212804 /nfs/dbraw/zinc/21/28/04/396212804.db2.gz DPHAGUPOHDBYFG-AWEZNQCLSA-N 1 3 304.438 0.759 20 0 DCADHO C[C@@H](NCCN1C(=O)CNC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666761 396332358 /nfs/dbraw/zinc/33/23/58/396332358.db2.gz PGMGRNULJWHMAM-OLZOCXBDSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@@H](NCCN1C(=O)CNC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666761 396332362 /nfs/dbraw/zinc/33/23/62/396332362.db2.gz PGMGRNULJWHMAM-OLZOCXBDSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185666761 396332363 /nfs/dbraw/zinc/33/23/63/396332363.db2.gz PGMGRNULJWHMAM-OLZOCXBDSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)C(=O)NCCN(C)C ZINC000580725027 396495523 /nfs/dbraw/zinc/49/55/23/396495523.db2.gz NJYHCPCOEDMUCR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)C(=O)NCCN(C)C ZINC000580725027 396495525 /nfs/dbraw/zinc/49/55/25/396495525.db2.gz NJYHCPCOEDMUCR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO N[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCN2C1=O ZINC000594738097 396503133 /nfs/dbraw/zinc/50/31/33/396503133.db2.gz GVQLIMRVOZRZFO-JKSUJKDBSA-N 1 3 300.406 0.076 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000581012142 396519290 /nfs/dbraw/zinc/51/92/90/396519290.db2.gz VTKNQNPNZGXHAD-OAHLLOKOSA-N 1 3 308.470 0.648 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000372475876 396520154 /nfs/dbraw/zinc/52/01/54/396520154.db2.gz ZEPXULZEOOAENS-SOUVJXGZSA-N 1 3 310.442 0.443 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000519768997 396526743 /nfs/dbraw/zinc/52/67/43/396526743.db2.gz MPDMFMUSDBWZJG-ZNMIVQPWSA-N 1 3 305.426 0.548 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CCN(C2CC2)C1 ZINC000581121425 396527349 /nfs/dbraw/zinc/52/73/49/396527349.db2.gz SOYBZIRCOZCVKI-DZGCQCFKSA-N 1 3 309.458 0.016 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000581193773 396533800 /nfs/dbraw/zinc/53/38/00/396533800.db2.gz SUTPUNANMIQIIS-AWEZNQCLSA-N 1 3 308.382 0.062 20 0 DCADHO N[C@H](CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581249747 396537607 /nfs/dbraw/zinc/53/76/07/396537607.db2.gz GIGKYFAJGABGCO-HUUCEWRRSA-N 1 3 318.421 0.390 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581606148 396568303 /nfs/dbraw/zinc/56/83/03/396568303.db2.gz UJILRYSBBWJEDV-JKSUJKDBSA-N 1 3 308.470 0.755 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000582009297 396601819 /nfs/dbraw/zinc/60/18/19/396601819.db2.gz ZHAHMQHMZLHCLS-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)c2[nH]nc3c2CNCC3)C[C@H]1c1ccccc1 ZINC000374408768 396661790 /nfs/dbraw/zinc/66/17/90/396661790.db2.gz KQOVYGMGALSVKG-UONOGXRCSA-N 1 3 311.389 0.622 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000563198498 396713369 /nfs/dbraw/zinc/71/33/69/396713369.db2.gz DLAUBLFYNFBWPM-HIFRSBDPSA-N 1 3 305.426 0.879 20 0 DCADHO NC(=O)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000315806001 396790695 /nfs/dbraw/zinc/79/06/95/396790695.db2.gz WWIVNKKWAJKCMY-HOTGVXAUSA-N 1 3 305.422 0.505 20 0 DCADHO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)N1CCC(C)CC1 ZINC000563561450 396752708 /nfs/dbraw/zinc/75/27/08/396752708.db2.gz LHGLTXGKTNNARY-HUUCEWRRSA-N 1 3 311.474 0.310 20 0 DCADHO [NH3+]CC1(C(=O)Nc2ccc3c(c2)CNCCO3)CCOCC1 ZINC000564455095 396837184 /nfs/dbraw/zinc/83/71/84/396837184.db2.gz PDQJUYYOXPLBSY-UHFFFAOYSA-N 1 3 305.378 0.863 20 0 DCADHO CN(C)[C@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1O ZINC000564101893 396811721 /nfs/dbraw/zinc/81/17/21/396811721.db2.gz ZIXSQFKXTODZRL-PMPSAXMXSA-N 1 3 305.422 0.813 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332213369 396881518 /nfs/dbraw/zinc/88/15/18/396881518.db2.gz KDWCZYZYRMMPCX-NUEKZKHPSA-N 1 3 324.469 0.866 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000611636696 396898818 /nfs/dbraw/zinc/89/88/18/396898818.db2.gz DTBIJADQCDSJSZ-HZSPNIEDSA-N 1 3 322.453 0.328 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000611636696 396898825 /nfs/dbraw/zinc/89/88/25/396898825.db2.gz DTBIJADQCDSJSZ-HZSPNIEDSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N(C)C1CC1 ZINC000342057806 396984214 /nfs/dbraw/zinc/98/42/14/396984214.db2.gz GDIXZYZEHRGNJN-NFAWXSAZSA-N 1 3 324.469 0.574 20 0 DCADHO CO[C@H]1CN(C(=O)c2cccc3c2CCNC3)[C@](C)(C[NH3+])C1 ZINC000630374894 397001567 /nfs/dbraw/zinc/00/15/67/397001567.db2.gz KLFBSEFWTHWTHT-DYVFJYSZSA-N 1 3 303.406 0.911 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000618666150 397006411 /nfs/dbraw/zinc/00/64/11/397006411.db2.gz WCOVYCALFZHLFV-WBVHZDCISA-N 1 3 320.481 0.900 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000618666150 397006413 /nfs/dbraw/zinc/00/64/13/397006413.db2.gz WCOVYCALFZHLFV-WBVHZDCISA-N 1 3 320.481 0.900 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000618666147 397006914 /nfs/dbraw/zinc/00/69/14/397006914.db2.gz WCOVYCALFZHLFV-DOTOQJQBSA-N 1 3 320.481 0.900 20 0 DCADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CN2CCN1CCC2 ZINC000618666147 397006915 /nfs/dbraw/zinc/00/69/15/397006915.db2.gz WCOVYCALFZHLFV-DOTOQJQBSA-N 1 3 320.481 0.900 20 0 DCADHO [NH3+][C@H]1CCC[C@@H](NCCN2CCN(c3ncccn3)CC2)C1 ZINC000572662708 397081555 /nfs/dbraw/zinc/08/15/55/397081555.db2.gz REPVKVOLKJTZDO-LSDHHAIUSA-N 1 3 304.442 0.458 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000592219272 397134752 /nfs/dbraw/zinc/13/47/52/397134752.db2.gz HJGCRIPKNRBQGH-HUUCEWRRSA-N 1 3 308.470 0.611 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612972736 397166655 /nfs/dbraw/zinc/16/66/55/397166655.db2.gz AJJUOHSCJOHCTG-CABCVRRESA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)N[C@H]1CC12CC[NH2+]CC2 ZINC000612981465 397170704 /nfs/dbraw/zinc/17/07/04/397170704.db2.gz BITAHTOXECNVMU-KBPBESRZSA-N 1 3 310.442 0.275 20 0 DCADHO COC(=O)CCNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492133 397191304 /nfs/dbraw/zinc/19/13/04/397191304.db2.gz QXKPURFNROBAPT-KBPBESRZSA-N 1 3 311.426 0.377 20 0 DCADHO COC(=O)CCNC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492136 397191546 /nfs/dbraw/zinc/19/15/46/397191546.db2.gz QXKPURFNROBAPT-ZIAGYGMSSA-N 1 3 311.426 0.377 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000574691885 397291393 /nfs/dbraw/zinc/29/13/93/397291393.db2.gz WGWGJZAURLSLOX-XQQFMLRXSA-N 1 3 312.458 0.465 20 0 DCADHO CCN1CCC[C@@H](NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592955667 397301301 /nfs/dbraw/zinc/30/13/01/397301301.db2.gz BXWFCHKBVJMCJX-CHWSQXEVSA-N 1 3 305.426 0.933 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592959837 397304048 /nfs/dbraw/zinc/30/40/48/397304048.db2.gz WXQYMXKUMMAGFK-STQMWFEESA-N 1 3 305.426 0.885 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592964262 397306215 /nfs/dbraw/zinc/30/62/15/397306215.db2.gz ISBSSDHPGGGSBX-OLZOCXBDSA-N 1 3 305.426 0.791 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000578067772 397384996 /nfs/dbraw/zinc/38/49/96/397384996.db2.gz AIKLTTNJVRBDTA-IHRRRGAJSA-N 1 3 300.447 0.504 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)[C@H](C)NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000613957821 397352409 /nfs/dbraw/zinc/35/24/09/397352409.db2.gz TXNRSSNLOSRYDZ-KPWCQOOUSA-N 1 3 314.474 0.676 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000613957821 397352412 /nfs/dbraw/zinc/35/24/12/397352412.db2.gz TXNRSSNLOSRYDZ-KPWCQOOUSA-N 1 3 314.474 0.676 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000577767138 397360279 /nfs/dbraw/zinc/36/02/79/397360279.db2.gz SYTSTEBLDYCMTN-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000577767138 397360283 /nfs/dbraw/zinc/36/02/83/397360283.db2.gz SYTSTEBLDYCMTN-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419783333 397383797 /nfs/dbraw/zinc/38/37/97/397383797.db2.gz VLQHYXIMFYVUII-IHRRRGAJSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000471636333 397448441 /nfs/dbraw/zinc/44/84/41/397448441.db2.gz QZMFLUQPVKHAER-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO CN(C)C/C=C\C(=O)N[C@@H](CNC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491875002 397504740 /nfs/dbraw/zinc/50/47/40/397504740.db2.gz XKCVNXQCNZLFIM-USYTUUGUSA-N 1 3 322.453 0.233 20 0 DCADHO CN(C)C/C=C\C(=O)NC[C@H](NC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491875002 397504742 /nfs/dbraw/zinc/50/47/42/397504742.db2.gz XKCVNXQCNZLFIM-USYTUUGUSA-N 1 3 322.453 0.233 20 0 DCADHO NC[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C(F)(F)F ZINC000594450824 397553980 /nfs/dbraw/zinc/55/39/80/397553980.db2.gz BEYMFFASYKGXEE-IONNQARKSA-N 1 3 305.304 0.339 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000579130358 397528649 /nfs/dbraw/zinc/52/86/49/397528649.db2.gz OMLRMTQVVPINEK-ZIAGYGMSSA-N 1 3 312.458 0.323 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000579221195 397535671 /nfs/dbraw/zinc/53/56/71/397535671.db2.gz MFSORUYYYCJLLI-SOUVJXGZSA-N 1 3 322.453 0.126 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000371051435 397538129 /nfs/dbraw/zinc/53/81/29/397538129.db2.gz DTAKDTXVLDHSGV-KRWDZBQOSA-N 1 3 322.497 0.958 20 0 DCADHO COC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C ZINC000608703301 397748777 /nfs/dbraw/zinc/74/87/77/397748777.db2.gz RLEIFHSQZRFIQT-CQSZACIVSA-N 1 3 302.463 0.792 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000175739220 292335317 /nfs/dbraw/zinc/33/53/17/292335317.db2.gz LUNRPWCJMRUGST-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000114076183 158150730 /nfs/dbraw/zinc/15/07/30/158150730.db2.gz FRSVCQWKPVZWIH-INIZCTEOSA-N 1 3 319.453 0.900 20 0 DCADHO CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000118841894 158179971 /nfs/dbraw/zinc/17/99/71/158179971.db2.gz VWERBAWMSSTPHT-ZDUSSCGKSA-N 1 3 310.442 0.981 20 0 DCADHO CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841894 158179973 /nfs/dbraw/zinc/17/99/73/158179973.db2.gz VWERBAWMSSTPHT-ZDUSSCGKSA-N 1 3 310.442 0.981 20 0 DCADHO CC1CCN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000121703261 158214014 /nfs/dbraw/zinc/21/40/14/158214014.db2.gz FBHGQPYUPUTXJI-OAHLLOKOSA-N 1 3 300.447 0.330 20 0 DCADHO CC[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127471806 158274798 /nfs/dbraw/zinc/27/47/98/158274798.db2.gz BRTXRJNAOVJUDK-ZDUSSCGKSA-N 1 3 312.458 0.615 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000138612135 158345889 /nfs/dbraw/zinc/34/58/89/158345889.db2.gz MNGYKUPWUHQPGC-GJZGRUSLSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000138612135 158345893 /nfs/dbraw/zinc/34/58/93/158345893.db2.gz MNGYKUPWUHQPGC-GJZGRUSLSA-N 1 3 312.458 0.690 20 0 DCADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccsc1 ZINC000262566784 158826539 /nfs/dbraw/zinc/82/65/39/158826539.db2.gz YCGJEAFUBPILEM-HZSPNIEDSA-N 1 3 311.451 0.970 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246391008 287082723 /nfs/dbraw/zinc/08/27/23/287082723.db2.gz SKJHCLWBSFFQFB-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246391008 287082726 /nfs/dbraw/zinc/08/27/26/287082726.db2.gz SKJHCLWBSFFQFB-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC1 ZINC000246684152 287086644 /nfs/dbraw/zinc/08/66/44/287086644.db2.gz WATICZPYUJALFV-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC1 ZINC000246684152 287086645 /nfs/dbraw/zinc/08/66/45/287086645.db2.gz WATICZPYUJALFV-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COC[C@@H]3CCCO3)CC[C@H]21 ZINC000247970926 287095632 /nfs/dbraw/zinc/09/56/32/287095632.db2.gz JHVQBKZLYOSPBI-LTIDMASMSA-N 1 3 312.454 0.959 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COC[C@@H]3CCCO3)CC[C@H]21 ZINC000247970926 287095634 /nfs/dbraw/zinc/09/56/34/287095634.db2.gz JHVQBKZLYOSPBI-LTIDMASMSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COC[C@@H]3CCCO3)CC[C@H]21 ZINC000247970926 287095635 /nfs/dbraw/zinc/09/56/35/287095635.db2.gz JHVQBKZLYOSPBI-LTIDMASMSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)CC[C@H]21 ZINC000247970926 287095637 /nfs/dbraw/zinc/09/56/37/287095637.db2.gz JHVQBKZLYOSPBI-LTIDMASMSA-N 1 3 312.454 0.959 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261857666 287127496 /nfs/dbraw/zinc/12/74/96/287127496.db2.gz MXVKIIHRRULAMC-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)CC[N@@H+]1C ZINC000354774766 287170380 /nfs/dbraw/zinc/17/03/80/287170380.db2.gz AYBLEFRFRZCGQS-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)CC[N@H+]1C ZINC000354774766 287170382 /nfs/dbraw/zinc/17/03/82/287170382.db2.gz AYBLEFRFRZCGQS-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418378233 287246491 /nfs/dbraw/zinc/24/64/91/287246491.db2.gz AGXFUPKVYIRDCT-KBPBESRZSA-N 1 3 300.447 0.362 20 0 DCADHO NC[C@@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)C1CC1 ZINC000418937882 287253307 /nfs/dbraw/zinc/25/33/07/287253307.db2.gz OQUQYMLYYAHORT-OAHLLOKOSA-N 1 3 324.469 0.612 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419149620 287269480 /nfs/dbraw/zinc/26/94/80/287269480.db2.gz FJLNDVPIRAOKRL-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420299877 287287227 /nfs/dbraw/zinc/28/72/27/287287227.db2.gz BTPWKZUSKPDDGS-HZPDHXFCSA-N 1 3 320.437 0.065 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000420346487 287293267 /nfs/dbraw/zinc/29/32/67/287293267.db2.gz YKCLLALUPDSGBU-WCVJEAGWSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000331634488 415159358 /nfs/dbraw/zinc/15/93/58/415159358.db2.gz SBCFYHFKFYMNCE-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000331634486 415159600 /nfs/dbraw/zinc/15/96/00/415159600.db2.gz SBCFYHFKFYMNCE-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)[C@@H]1CN2CCN1CCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342496983 415191117 /nfs/dbraw/zinc/19/11/17/415191117.db2.gz SWWTXQBNTQPAEN-QXULXFAOSA-N 1 3 306.454 0.460 20 0 DCADHO CN(C(=O)[C@@H]1CN2CCN1CCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342496983 415191122 /nfs/dbraw/zinc/19/11/22/415191122.db2.gz SWWTXQBNTQPAEN-QXULXFAOSA-N 1 3 306.454 0.460 20 0 DCADHO C[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000332038828 415217197 /nfs/dbraw/zinc/21/71/97/415217197.db2.gz TXBKXMCYCQOWHY-RBSFLKMASA-N 1 3 312.458 0.866 20 0 DCADHO CN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000342666924 415247977 /nfs/dbraw/zinc/24/79/77/415247977.db2.gz OLBMPODVOANULC-CABCVRRESA-N 1 3 312.458 0.615 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000332272666 415326567 /nfs/dbraw/zinc/32/65/67/415326567.db2.gz GTYABTPVIRAPFP-AWEZNQCLSA-N 1 3 324.469 0.515 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000342895148 415343428 /nfs/dbraw/zinc/34/34/28/415343428.db2.gz WHHRSQKIENSYIR-OAGGEKHMSA-N 1 3 310.486 0.574 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000342895148 415343434 /nfs/dbraw/zinc/34/34/34/415343434.db2.gz WHHRSQKIENSYIR-OAGGEKHMSA-N 1 3 310.486 0.574 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000342895146 415345005 /nfs/dbraw/zinc/34/50/05/415345005.db2.gz WHHRSQKIENSYIR-BZUAXINKSA-N 1 3 310.486 0.574 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000342895146 415345013 /nfs/dbraw/zinc/34/50/13/415345013.db2.gz WHHRSQKIENSYIR-BZUAXINKSA-N 1 3 310.486 0.574 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332574016 415418574 /nfs/dbraw/zinc/41/85/74/415418574.db2.gz XNAPROIJFQPHCS-CVSAEHQPSA-N 1 3 322.453 0.458 20 0 DCADHO CCCN(C)CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000342979998 415387680 /nfs/dbraw/zinc/38/76/80/415387680.db2.gz WHNTWKQVBCUTCL-UHFFFAOYSA-N 1 3 308.426 0.980 20 0 DCADHO C[C@H]1CC2(CN1C(=O)C(=O)NCCN(C)C1CC1)CC[NH2+]CC2 ZINC000424551380 287309206 /nfs/dbraw/zinc/30/92/06/287309206.db2.gz OOSMMARRAIZNHH-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CO[C@@H](CN)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353457559 415550018 /nfs/dbraw/zinc/55/00/18/415550018.db2.gz HHLNGXKXYNXATK-INIZCTEOSA-N 1 3 321.421 0.751 20 0 DCADHO Cc1cc(N2CC[C@H](NC[C@H]3CC[NH2+][C@@H](C)C3)C2=O)n(C)n1 ZINC000333099441 415557734 /nfs/dbraw/zinc/55/77/34/415557734.db2.gz DOWRBONRFKUVOY-UBHSHLNASA-N 1 3 305.426 0.812 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC[C@]2(N(C)C)CCSC2)CC[NH2+]1 ZINC000333156323 415571324 /nfs/dbraw/zinc/57/13/24/415571324.db2.gz FSOWBONAYRYTLC-MBNYWOFBSA-N 1 3 300.472 0.863 20 0 DCADHO CCCC[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353639143 415612789 /nfs/dbraw/zinc/61/27/89/415612789.db2.gz MYEQVWOHCXKYPE-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[C@](C)([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353654477 415615447 /nfs/dbraw/zinc/61/54/47/415615447.db2.gz ZPCCSBIKENFWID-BBRMVZONSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353651229 415616713 /nfs/dbraw/zinc/61/67/13/415616713.db2.gz WTVMVKXZVZXHBB-WMLDXEAASA-N 1 3 324.469 0.435 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333360419 415621760 /nfs/dbraw/zinc/62/17/60/415621760.db2.gz KYLQRXRSAPMYSZ-XQLPTFJDSA-N 1 3 310.442 0.394 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333524299 415672340 /nfs/dbraw/zinc/67/23/40/415672340.db2.gz HAFRFKGAIYLXJR-CQSZACIVSA-N 1 3 310.442 0.491 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333524299 415672345 /nfs/dbraw/zinc/67/23/45/415672345.db2.gz HAFRFKGAIYLXJR-CQSZACIVSA-N 1 3 310.442 0.491 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC([NH+]2CCCCC2)CC1 ZINC000333531149 415674695 /nfs/dbraw/zinc/67/46/95/415674695.db2.gz MGCJXTHTABGAHM-OAHLLOKOSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CN1C1CC1 ZINC000333610089 415696175 /nfs/dbraw/zinc/69/61/75/415696175.db2.gz RVIXMXYUWUSMOO-DGCLKSJQSA-N 1 3 304.442 0.987 20 0 DCADHO C[C@H]1CC2(CN1Cc1cc(=O)n(C)c(=O)n1C)CC[NH2+]CC2 ZINC000333645608 415705350 /nfs/dbraw/zinc/70/53/50/415705350.db2.gz YAWIXMXRUVKGKU-LBPRGKRZSA-N 1 3 306.410 0.048 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000336843233 415833131 /nfs/dbraw/zinc/83/31/31/415833131.db2.gz VUDIHBKGXZKCNL-CQSZACIVSA-N 1 3 300.447 0.321 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC[NH3+])c1ccccc1 ZINC000336849612 415835466 /nfs/dbraw/zinc/83/54/66/415835466.db2.gz GYJBGLNATWJMAS-CQSZACIVSA-N 1 3 306.410 0.261 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000128511788 415897350 /nfs/dbraw/zinc/89/73/50/415897350.db2.gz GKKXOZRGVMSMNP-KBPBESRZSA-N 1 3 305.488 0.963 20 0 DCADHO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344650824 415965636 /nfs/dbraw/zinc/96/56/36/415965636.db2.gz YKJKDDBTOPVTNN-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344650824 415965637 /nfs/dbraw/zinc/96/56/37/415965637.db2.gz YKJKDDBTOPVTNN-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC000152671665 415969665 /nfs/dbraw/zinc/96/96/65/415969665.db2.gz MSDXZHHNXGDFTM-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CCOC(=O)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000337578522 415979765 /nfs/dbraw/zinc/97/97/65/415979765.db2.gz LHJPNHVSLVMYHK-AWEZNQCLSA-N 1 3 313.442 0.814 20 0 DCADHO CCOC(=O)CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337578522 415979766 /nfs/dbraw/zinc/97/97/66/415979766.db2.gz LHJPNHVSLVMYHK-AWEZNQCLSA-N 1 3 313.442 0.814 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000344525377 415938621 /nfs/dbraw/zinc/93/86/21/415938621.db2.gz UHLFCTGXMOKFAC-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000344525377 415938627 /nfs/dbraw/zinc/93/86/27/415938627.db2.gz UHLFCTGXMOKFAC-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H](C)Cn2ccnc2C)CC1 ZINC000338050967 416039609 /nfs/dbraw/zinc/03/96/09/416039609.db2.gz AETHXCDUTNRKSY-OAHLLOKOSA-N 1 3 321.469 0.971 20 0 DCADHO CC[NH+]1CCN(CCC(=O)NC[C@@H](C)Cn2ccnc2C)CC1 ZINC000338050967 416039612 /nfs/dbraw/zinc/03/96/12/416039612.db2.gz AETHXCDUTNRKSY-OAHLLOKOSA-N 1 3 321.469 0.971 20 0 DCADHO CC(C)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000316885188 416116343 /nfs/dbraw/zinc/11/63/43/416116343.db2.gz XXEYDCKFGAXHCD-CVEARBPZSA-N 1 3 310.486 0.764 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)NCC1=CCN(C)CC1 ZINC000352221304 416307775 /nfs/dbraw/zinc/30/77/75/416307775.db2.gz GZDXQCRNUYCRRW-UHFFFAOYSA-N 1 3 312.458 0.906 20 0 DCADHO CN(C)CCNC(=O)c1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000192647691 416309637 /nfs/dbraw/zinc/30/96/37/416309637.db2.gz YJLKWALTLNTUGH-UHFFFAOYSA-N 1 3 306.410 0.269 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000359319895 416321948 /nfs/dbraw/zinc/32/19/48/416321948.db2.gz JGINSFMIZUQOIJ-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000359319895 416321951 /nfs/dbraw/zinc/32/19/51/416321951.db2.gz JGINSFMIZUQOIJ-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000359924524 416366124 /nfs/dbraw/zinc/36/61/24/416366124.db2.gz NQCRGFUOXLEHJL-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000359924524 416366125 /nfs/dbraw/zinc/36/61/25/416366125.db2.gz NQCRGFUOXLEHJL-AWEZNQCLSA-N 1 3 314.474 0.863 20 0 DCADHO CN(C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000416817361 416377807 /nfs/dbraw/zinc/37/78/07/416377807.db2.gz YHIYJCJZVCNZJP-LSDHHAIUSA-N 1 3 306.410 0.577 20 0 DCADHO C[C@H]1CN(CCC2CCN(C(=O)NCC[NH3+])CC2)C[C@H](C)O1 ZINC000418305532 416386072 /nfs/dbraw/zinc/38/60/72/416386072.db2.gz OMUUIZAPVDXFMJ-KBPBESRZSA-N 1 3 312.458 0.866 20 0 DCADHO CSC1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN(C)CC1 ZINC000418204988 416386242 /nfs/dbraw/zinc/38/62/42/416386242.db2.gz YIFVDEXHEZPXMJ-OLZOCXBDSA-N 1 3 312.483 0.817 20 0 DCADHO [NH3+][C@H](CNC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000418450217 416387223 /nfs/dbraw/zinc/38/72/23/416387223.db2.gz LFRPJPNKIIIKSV-HZPDHXFCSA-N 1 3 320.437 0.832 20 0 DCADHO [NH3+][C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000418450215 416387347 /nfs/dbraw/zinc/38/73/47/416387347.db2.gz LFRPJPNKIIIKSV-CVEARBPZSA-N 1 3 320.437 0.832 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418706892 416389590 /nfs/dbraw/zinc/38/95/90/416389590.db2.gz SUKKPPBKXRRYNC-CABCVRRESA-N 1 3 313.490 0.781 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418933653 416394156 /nfs/dbraw/zinc/39/41/56/416394156.db2.gz ISPVOSONUHBOAT-DZGCQCFKSA-N 1 3 320.437 0.649 20 0 DCADHO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)NC1CCN(C2CC2)CC1 ZINC000360564459 416396188 /nfs/dbraw/zinc/39/61/88/416396188.db2.gz REBJKMCPPULSBQ-KRWDZBQOSA-N 1 3 306.454 0.415 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419288230 416398778 /nfs/dbraw/zinc/39/87/78/416398778.db2.gz RLFFWGNZLBWURJ-MRXNPFEDSA-N 1 3 312.458 0.340 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000419528537 416403289 /nfs/dbraw/zinc/40/32/89/416403289.db2.gz WILKQFMLJIKNCV-BFHYXJOUSA-N 1 3 322.453 0.091 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419763460 416409640 /nfs/dbraw/zinc/40/96/40/416409640.db2.gz NQCXKNIWFACUBF-OAHLLOKOSA-N 1 3 320.437 0.651 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419763460 416409642 /nfs/dbraw/zinc/40/96/42/416409642.db2.gz NQCXKNIWFACUBF-OAHLLOKOSA-N 1 3 320.437 0.651 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419768653 416410152 /nfs/dbraw/zinc/41/01/52/416410152.db2.gz CYEIUNNANSNPOK-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000419776305 416410917 /nfs/dbraw/zinc/41/09/17/416410917.db2.gz LPJPVNZWKLTBQG-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000423060632 416463557 /nfs/dbraw/zinc/46/35/57/416463557.db2.gz ISNXGGKNLTYTCP-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000583340905 416463734 /nfs/dbraw/zinc/46/37/34/416463734.db2.gz QERQWZHGYLXQBN-GOSISDBHSA-N 1 3 317.433 0.834 20 0 DCADHO CN(CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000583340905 416463739 /nfs/dbraw/zinc/46/37/39/416463739.db2.gz QERQWZHGYLXQBN-GOSISDBHSA-N 1 3 317.433 0.834 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H]([NH3+])C2)o1 ZINC000423166478 416473526 /nfs/dbraw/zinc/47/35/26/416473526.db2.gz CSNPJNOOGVMTRB-ZDUSSCGKSA-N 1 3 322.409 0.038 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@H](C)C(=O)NC(C)C)CC[NH2+]CC1 ZINC000423179263 416474312 /nfs/dbraw/zinc/47/43/12/416474312.db2.gz JMCLYGOPOMKTQA-OLZOCXBDSA-N 1 3 313.442 0.811 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000423238630 416480663 /nfs/dbraw/zinc/48/06/63/416480663.db2.gz RJDNVWNJUQCGHF-ZIAGYGMSSA-N 1 3 312.458 0.371 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NCC2CC[NH2+]CC2)CCCO1 ZINC000583921403 416483418 /nfs/dbraw/zinc/48/34/18/416483418.db2.gz VAAIMDILPPRVGA-CQSZACIVSA-N 1 3 312.458 0.786 20 0 DCADHO CN(CCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000422255342 416422868 /nfs/dbraw/zinc/42/28/68/416422868.db2.gz CQYDNYNVDXVOSE-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000422255342 416422870 /nfs/dbraw/zinc/42/28/70/416422870.db2.gz CQYDNYNVDXVOSE-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422484566 416434385 /nfs/dbraw/zinc/43/43/85/416434385.db2.gz CPGRYKQMNZLTLK-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422484566 416434387 /nfs/dbraw/zinc/43/43/87/416434387.db2.gz CPGRYKQMNZLTLK-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000422972444 416453278 /nfs/dbraw/zinc/45/32/78/416453278.db2.gz LQDXUYDSYZYQDS-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC(n2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])n2)CC1 ZINC000582959374 416459554 /nfs/dbraw/zinc/45/95/54/416459554.db2.gz VYXAJLCDMINYKU-ZIAGYGMSSA-N 1 3 320.441 1.541 20 0 DCADHO CCN(CCO)CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459091335 416521640 /nfs/dbraw/zinc/52/16/40/416521640.db2.gz FFMOKBAVBDYMJB-UHFFFAOYSA-N 1 3 312.458 0.617 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000423583626 416525314 /nfs/dbraw/zinc/52/53/14/416525314.db2.gz CGEKGJROPVBSCP-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CCCCNC(=O)CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436056257 416545453 /nfs/dbraw/zinc/54/54/53/416545453.db2.gz SMOKPJWGZORJCK-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000423745347 416557342 /nfs/dbraw/zinc/55/73/42/416557342.db2.gz MHVKLRCHIDUORX-KBPBESRZSA-N 1 3 315.483 0.651 20 0 DCADHO C[C@H]1CN(CC2CCN(C(=O)C3(C)C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000423360255 416496810 /nfs/dbraw/zinc/49/68/10/416496810.db2.gz QFGZMRNGGIQVBX-KBPBESRZSA-N 1 3 309.454 0.944 20 0 DCADHO CN1CCN(CCNC(=O)NC(C)(C)C[NH+](C)C)CC1(C)C ZINC000458735592 416496792 /nfs/dbraw/zinc/49/67/92/416496792.db2.gz TWOZWHBCMPOIBY-UHFFFAOYSA-N 1 3 313.490 0.652 20 0 DCADHO C[C@@H](CNC(=O)N1CCN(C)C[C@H]1CN)C[NH+]1CCCCC1 ZINC000584161737 416504430 /nfs/dbraw/zinc/50/44/30/416504430.db2.gz SPDZLBHHKCJQMR-LSDHHAIUSA-N 1 3 311.474 0.393 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423440889 416511005 /nfs/dbraw/zinc/51/10/05/416511005.db2.gz XRHDRQXREBPHKZ-PMPSAXMXSA-N 1 3 312.502 0.996 20 0 DCADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CNCCO1 ZINC000423994739 416602069 /nfs/dbraw/zinc/60/20/69/416602069.db2.gz SYJTWVUTOCQSBK-ZDUSSCGKSA-N 1 3 307.394 0.345 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424137285 416615107 /nfs/dbraw/zinc/61/51/07/416615107.db2.gz RXAMMKIQOAOCLX-KGLIPLIRSA-N 1 3 320.441 0.664 20 0 DCADHO CC(C)(N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424039385 416608991 /nfs/dbraw/zinc/60/89/91/416608991.db2.gz OCXJLKUXCGZUJF-UHFFFAOYSA-N 1 3 304.438 0.833 20 0 DCADHO C[C@@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C1CC[NH2+]CC1 ZINC000424238540 416631603 /nfs/dbraw/zinc/63/16/03/416631603.db2.gz NGPBWYNBYVRVHB-VBNZEHGJSA-N 1 3 319.453 0.699 20 0 DCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCc1ccccc1 ZINC000424338563 416636540 /nfs/dbraw/zinc/63/65/40/416636540.db2.gz UINIVBALAZSYIH-ZIAGYGMSSA-N 1 3 304.394 0.872 20 0 DCADHO CCCNC(=O)CN(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299890 416636954 /nfs/dbraw/zinc/63/69/54/416636954.db2.gz WDECYMXPWMXJFR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[NH+]1CCC(C)CC1 ZINC000545177905 416665864 /nfs/dbraw/zinc/66/58/64/416665864.db2.gz LWTRIXBWJJHXLZ-HOCLYGCPSA-N 1 3 312.458 0.473 20 0 DCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000442759059 416711049 /nfs/dbraw/zinc/71/10/49/416711049.db2.gz JZFBSODKDQQYFT-IUCAKERBSA-N 1 3 310.320 0.434 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000516179998 416716845 /nfs/dbraw/zinc/71/68/45/416716845.db2.gz QTZAVERINBCGSZ-GOEBONIOSA-N 1 3 317.437 0.158 20 0 DCADHO O=C(NC[C@]1(O)CN2CCC1CC2)C1CC[NH+](C2CC2)CC1 ZINC000556852876 416718518 /nfs/dbraw/zinc/71/85/18/416718518.db2.gz SVEMQCIAWCNGQD-KRWDZBQOSA-N 1 3 307.438 0.434 20 0 DCADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](CC[NH3+])C1 ZINC000443059852 416729463 /nfs/dbraw/zinc/72/94/63/416729463.db2.gz NMWGXIHTSHAOLC-ZJUUUORDSA-N 1 3 324.347 0.824 20 0 DCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000631918165 416799117 /nfs/dbraw/zinc/79/91/17/416799117.db2.gz VWCZHOFEKRKXEV-AWEZNQCLSA-N 1 3 316.471 0.085 20 0 DCADHO CC[C@H]1CN(S(=O)(=O)CCCN2CCCC2)CC[C@@H]1[NH3+] ZINC000631932326 416813166 /nfs/dbraw/zinc/81/31/66/416813166.db2.gz TXBOCGHTXKUOOZ-KBPBESRZSA-N 1 3 303.472 0.861 20 0 DCADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000562754556 416870258 /nfs/dbraw/zinc/87/02/58/416870258.db2.gz MFANHLXFMBJTMK-NWDGAFQWSA-N 1 3 324.429 0.679 20 0 DCADHO Nc1cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000563152704 416873475 /nfs/dbraw/zinc/87/34/75/416873475.db2.gz WQGQZDXQTQNJTD-CABCVRRESA-N 1 3 317.437 0.744 20 0 DCADHO Nc1cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccn1 ZINC000563152707 416875464 /nfs/dbraw/zinc/87/54/64/416875464.db2.gz WQGQZDXQTQNJTD-LSDHHAIUSA-N 1 3 317.437 0.744 20 0 DCADHO CCN(CCNC(=O)CN(C)C(C)C)C(=O)C[N@H+](C)C(C)C ZINC000444360799 416835143 /nfs/dbraw/zinc/83/51/43/416835143.db2.gz YDCOMAVEOUQLPY-UHFFFAOYSA-N 1 3 314.474 0.632 20 0 DCADHO CCN(CCNC(=O)CN(C)C(C)C)C(=O)C[N@@H+](C)C(C)C ZINC000444360799 416835148 /nfs/dbraw/zinc/83/51/48/416835148.db2.gz YDCOMAVEOUQLPY-UHFFFAOYSA-N 1 3 314.474 0.632 20 0 DCADHO CCN(CCNC(=O)C[N@H+](C)C(C)C)C(=O)CN(C)C(C)C ZINC000444360799 416835152 /nfs/dbraw/zinc/83/51/52/416835152.db2.gz YDCOMAVEOUQLPY-UHFFFAOYSA-N 1 3 314.474 0.632 20 0 DCADHO CCN(CCNC(=O)C[N@@H+](C)C(C)C)C(=O)CN(C)C(C)C ZINC000444360799 416835154 /nfs/dbraw/zinc/83/51/54/416835154.db2.gz YDCOMAVEOUQLPY-UHFFFAOYSA-N 1 3 314.474 0.632 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000631970683 416840886 /nfs/dbraw/zinc/84/08/86/416840886.db2.gz AGIPBHDMINGABZ-OKILXGFUSA-N 1 3 309.435 0.873 20 0 DCADHO CN1CCCC[C@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000624121448 416963047 /nfs/dbraw/zinc/96/30/47/416963047.db2.gz WOMSWMQYJRVCKC-CYBMUJFWSA-N 1 3 303.472 0.732 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)C2(N)Cc3ccccc3C2)n1 ZINC000370780295 416904738 /nfs/dbraw/zinc/90/47/38/416904738.db2.gz NHOUVCFQNFEVGF-UHFFFAOYSA-N 1 3 313.405 0.880 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000372099919 416929778 /nfs/dbraw/zinc/92/97/78/416929778.db2.gz ZTIJCUZCOCUJRK-OAGGEKHMSA-N 1 3 308.470 0.742 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624023402 416942498 /nfs/dbraw/zinc/94/24/98/416942498.db2.gz YJNPFRZODXYIFX-WCQYABFASA-N 1 3 313.409 0.441 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624023402 416942501 /nfs/dbraw/zinc/94/25/01/416942501.db2.gz YJNPFRZODXYIFX-WCQYABFASA-N 1 3 313.409 0.441 20 0 DCADHO CNC(=O)[C@]1(C)CCN(CCC[N@@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430273500 417023671 /nfs/dbraw/zinc/02/36/71/417023671.db2.gz AICYCRJEBVEAAE-IAGOWNOFSA-N 1 3 324.469 0.293 20 0 DCADHO CNC(=O)[C@]1(C)CCN(CCC[N@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430273500 417023689 /nfs/dbraw/zinc/02/36/89/417023689.db2.gz AICYCRJEBVEAAE-IAGOWNOFSA-N 1 3 324.469 0.293 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642114162 417029014 /nfs/dbraw/zinc/02/90/14/417029014.db2.gz IRNVTYRIQZIWBU-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000520771975 416974632 /nfs/dbraw/zinc/97/46/32/416974632.db2.gz LGIOINQCVWSQIG-HUUCEWRRSA-N 1 3 309.458 0.206 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000447449260 417000164 /nfs/dbraw/zinc/00/01/64/417000164.db2.gz KNWRPDZZUDPUPV-HNNXBMFYSA-N 1 3 323.441 0.170 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000447435273 417001392 /nfs/dbraw/zinc/00/13/92/417001392.db2.gz NHHDVVQKQQYJII-ZDUSSCGKSA-N 1 3 309.414 0.761 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000642785700 417096495 /nfs/dbraw/zinc/09/64/95/417096495.db2.gz DTDMTZGTFPXVLL-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]([NH3+])CCSC)CC1 ZINC000431031062 417097287 /nfs/dbraw/zinc/09/72/87/417097287.db2.gz UNHZCWQJTWOVIE-CHWSQXEVSA-N 1 3 302.488 0.209 20 0 DCADHO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCC[NH2+]C1 ZINC000642785670 417098086 /nfs/dbraw/zinc/09/80/86/417098086.db2.gz CNGUOPLWQTZOLL-PBHICJAKSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000642784427 417098336 /nfs/dbraw/zinc/09/83/36/417098336.db2.gz UXSMDBFPIILLRM-OLZOCXBDSA-N 1 3 320.437 0.695 20 0 DCADHO CN(C)CCN(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1 ZINC000390768454 417099216 /nfs/dbraw/zinc/09/92/16/417099216.db2.gz SZIXZUOROMCSFB-UHFFFAOYSA-N 1 3 304.438 0.482 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000642440006 417056121 /nfs/dbraw/zinc/05/61/21/417056121.db2.gz VOOCSGIAXHAQFC-KFWWJZLASA-N 1 3 324.469 0.705 20 0 DCADHO O=C(COC1CNC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000430840878 417073906 /nfs/dbraw/zinc/07/39/06/417073906.db2.gz ULSKFPJIXHAFDY-UHFFFAOYSA-N 1 3 303.406 0.887 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000430873296 417074971 /nfs/dbraw/zinc/07/49/71/417074971.db2.gz RBRRHKQUJBYUOU-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000637347198 417076592 /nfs/dbraw/zinc/07/65/92/417076592.db2.gz BSLZOOBUTMQNCA-UHFFFAOYSA-N 1 3 311.474 0.454 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642712992 417077103 /nfs/dbraw/zinc/07/71/03/417077103.db2.gz AWHUACGRVBXIJZ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000642732170 417084230 /nfs/dbraw/zinc/08/42/30/417084230.db2.gz QIWVXKVVVOTMSO-PBHICJAKSA-N 1 3 322.453 0.047 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000642731692 417084703 /nfs/dbraw/zinc/08/47/03/417084703.db2.gz KKFULKNQSKCZJV-ZNMIVQPWSA-N 1 3 322.453 0.030 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000642731655 417085822 /nfs/dbraw/zinc/08/58/22/417085822.db2.gz AFMRXGKKNMVBPR-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000637455659 417117179 /nfs/dbraw/zinc/11/71/79/417117179.db2.gz MWMYGDLSVLDTQN-BARDWOONSA-N 1 3 314.474 0.933 20 0 DCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642909131 417119452 /nfs/dbraw/zinc/11/94/52/417119452.db2.gz HDGXWPCLQGNKRN-CYBMUJFWSA-N 1 3 320.437 0.560 20 0 DCADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)Cn1cccn1 ZINC000524935100 417125009 /nfs/dbraw/zinc/12/50/09/417125009.db2.gz RZVJFOMFDHRUHE-HNNXBMFYSA-N 1 3 324.473 0.654 20 0 DCADHO CC[NH+](CC)CCN(CCOC)C(=O)C[C@H]1CNCCO1 ZINC000430731732 287351611 /nfs/dbraw/zinc/35/16/11/287351611.db2.gz XLAIJOPHPKVZJJ-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO CC1CCN(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000449317605 417141903 /nfs/dbraw/zinc/14/19/03/417141903.db2.gz CRESACVMOHPPIW-AWEZNQCLSA-N 1 3 320.441 0.492 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000642982050 417136290 /nfs/dbraw/zinc/13/62/90/417136290.db2.gz OQVPFLPEGNKLPR-ILXRZTDVSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000643373870 417184231 /nfs/dbraw/zinc/18/42/31/417184231.db2.gz XRSBBOMEZNDNTM-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000617349503 417207318 /nfs/dbraw/zinc/20/73/18/417207318.db2.gz PZOHHCXBBSEVLM-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000617349503 417207325 /nfs/dbraw/zinc/20/73/25/417207325.db2.gz PZOHHCXBBSEVLM-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CCO1 ZINC000637864901 417211734 /nfs/dbraw/zinc/21/17/34/417211734.db2.gz AECVMXBJHNOIHY-BPUTZDHNSA-N 1 3 320.437 0.020 20 0 DCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000643494614 417224935 /nfs/dbraw/zinc/22/49/35/417224935.db2.gz MUNRQRSXFWFVDP-LSDHHAIUSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000569605496 417272960 /nfs/dbraw/zinc/27/29/60/417272960.db2.gz KIKKKHXETTWIBT-AVGNSLFASA-N 1 3 312.458 0.417 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621667830 417286438 /nfs/dbraw/zinc/28/64/38/417286438.db2.gz MQIDKYSKYUOODQ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000527953556 417288520 /nfs/dbraw/zinc/28/85/20/417288520.db2.gz XALGYYOONZQAAD-HLLBOEOZSA-N 1 3 311.470 0.532 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000527953556 417288525 /nfs/dbraw/zinc/28/85/25/417288525.db2.gz XALGYYOONZQAAD-HLLBOEOZSA-N 1 3 311.470 0.532 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000627229510 417288564 /nfs/dbraw/zinc/28/85/64/417288564.db2.gz RUIVZTCLXRNHBY-ZIAGYGMSSA-N 1 3 321.429 0.048 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000433159646 417234057 /nfs/dbraw/zinc/23/40/57/417234057.db2.gz SHSGQLDQNRDZNM-MRXNPFEDSA-N 1 3 308.470 0.886 20 0 DCADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCN2CCC[C@H]2C1 ZINC000433380395 417260574 /nfs/dbraw/zinc/26/05/74/417260574.db2.gz BHWFMKQVAXLKNI-STQMWFEESA-N 1 3 304.398 0.123 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433390347 417262369 /nfs/dbraw/zinc/26/23/69/417262369.db2.gz ZQVMWWLXQZRZNN-KGLIPLIRSA-N 1 3 322.457 0.909 20 0 DCADHO CN(C)C[C@@H]1CCCCN1C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000570393671 417349825 /nfs/dbraw/zinc/34/98/25/417349825.db2.gz LHQUTJMLKQXPFH-KBPBESRZSA-N 1 3 320.441 0.586 20 0 DCADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633096432 417358457 /nfs/dbraw/zinc/35/84/57/417358457.db2.gz GNEXPUHOPOAEHC-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414695067 417297453 /nfs/dbraw/zinc/29/74/53/417297453.db2.gz OSCNRQDRKMFSQI-HOTGVXAUSA-N 1 3 310.486 0.861 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)[C@]3(C)CNCCO3)CC2)CC1 ZINC000638088269 417319117 /nfs/dbraw/zinc/31/91/17/417319117.db2.gz KVOHIZXKPOQICC-KRWDZBQOSA-N 1 3 324.469 0.040 20 0 DCADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNCC(C)(C)[NH3+])n1 ZINC000415116665 417330882 /nfs/dbraw/zinc/33/08/82/417330882.db2.gz ZPHVFRMSNXMBBP-RYUDHWBXSA-N 1 3 310.421 0.786 20 0 DCADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]CC(C)(C)N)n1 ZINC000415116665 417330890 /nfs/dbraw/zinc/33/08/90/417330890.db2.gz ZPHVFRMSNXMBBP-RYUDHWBXSA-N 1 3 310.421 0.786 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000633039889 417331495 /nfs/dbraw/zinc/33/14/95/417331495.db2.gz MALXGSOCTWTEFB-TZMCWYRMSA-N 1 3 318.421 0.677 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000633067184 417341087 /nfs/dbraw/zinc/34/10/87/417341087.db2.gz CMCTVNHDAQXJKJ-XUXIUFHCSA-N 1 3 312.458 0.145 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000415224728 417342706 /nfs/dbraw/zinc/34/27/06/417342706.db2.gz YYHQSFZCKPNZIB-ZDUSSCGKSA-N 1 3 322.457 1.344 20 0 DCADHO C[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@H](C[NH3+])C1 ZINC000415225459 417343909 /nfs/dbraw/zinc/34/39/09/417343909.db2.gz ZXOGPDYYSFQCFO-OLZOCXBDSA-N 1 3 308.430 1.036 20 0 DCADHO NC[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000570715650 417387315 /nfs/dbraw/zinc/38/73/15/417387315.db2.gz LPPACMGCRHKXBV-JKSUJKDBSA-N 1 3 302.422 0.235 20 0 DCADHO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000638242754 417389819 /nfs/dbraw/zinc/38/98/19/417389819.db2.gz SMFAZKUGIJHBCF-CJNGLKHVSA-N 1 3 305.378 0.874 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CN1C1CC1 ZINC000570813921 417394283 /nfs/dbraw/zinc/39/42/83/417394283.db2.gz LEHVUMRLZJHVJA-QWHCGFSZSA-N 1 3 305.426 0.800 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000638357965 417432708 /nfs/dbraw/zinc/43/27/08/417432708.db2.gz RKARGYSRNDLRNS-UHFFFAOYSA-N 1 3 313.442 0.326 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638332725 417424926 /nfs/dbraw/zinc/42/49/26/417424926.db2.gz QVJAZPFXFREXNE-HOTGVXAUSA-N 1 3 304.438 0.641 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638336432 417425498 /nfs/dbraw/zinc/42/54/98/417425498.db2.gz UMDLAVKPDWPGPQ-LSDHHAIUSA-N 1 3 306.454 0.935 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000622029658 417371949 /nfs/dbraw/zinc/37/19/49/417371949.db2.gz JRRYNKMVBDNQEH-DYVFJYSZSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](Cc1cnccn1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000638571258 417490561 /nfs/dbraw/zinc/49/05/61/417490561.db2.gz MPQUXLMCRLNPOR-KGLIPLIRSA-N 1 3 305.426 0.585 20 0 DCADHO C[C@H](Cc1cnccn1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000638571258 417490565 /nfs/dbraw/zinc/49/05/65/417490565.db2.gz MPQUXLMCRLNPOR-KGLIPLIRSA-N 1 3 305.426 0.585 20 0 DCADHO [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000638407732 417445947 /nfs/dbraw/zinc/44/59/47/417445947.db2.gz WJOOEPMECIBGFU-SJORKVTESA-N 1 3 315.417 0.917 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638491774 417472813 /nfs/dbraw/zinc/47/28/13/417472813.db2.gz MPMNPTDIMBAKCR-IAGOWNOFSA-N 1 3 318.465 0.902 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638491774 417472818 /nfs/dbraw/zinc/47/28/18/417472818.db2.gz MPMNPTDIMBAKCR-IAGOWNOFSA-N 1 3 318.465 0.902 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526422 417482813 /nfs/dbraw/zinc/48/28/13/417482813.db2.gz KFNWNPLAAPBTJQ-LBPRGKRZSA-N 1 3 306.410 0.772 20 0 DCADHO CO[C@@H](C[NH2+]CC1(O)CCN(C(C)C)CC1)[C@H]1CCOC1 ZINC000638738443 417547332 /nfs/dbraw/zinc/54/73/32/417547332.db2.gz KVARWKOREPJOBB-GJZGRUSLSA-N 1 3 300.443 0.863 20 0 DCADHO O[C@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000634642546 417522345 /nfs/dbraw/zinc/52/23/45/417522345.db2.gz LYHYDLNDLFWXFU-FGTMMUONSA-N 1 3 301.434 0.775 20 0 DCADHO CN1CCO[C@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634645170 417523950 /nfs/dbraw/zinc/52/39/50/417523950.db2.gz IKZWCLRRTREBGP-MSOLQXFVSA-N 1 3 319.449 0.544 20 0 DCADHO CN1CCO[C@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634645170 417523955 /nfs/dbraw/zinc/52/39/55/417523955.db2.gz IKZWCLRRTREBGP-MSOLQXFVSA-N 1 3 319.449 0.544 20 0 DCADHO [NH3+]CCCOCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000638661673 417528672 /nfs/dbraw/zinc/52/86/72/417528672.db2.gz VYIOCAZDMQCRCP-MRXNPFEDSA-N 1 3 320.437 0.775 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000576149215 417584430 /nfs/dbraw/zinc/58/44/30/417584430.db2.gz ONMLYMBORHOKHL-NXOAAHMSSA-N 1 3 313.486 0.778 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000576149215 417584434 /nfs/dbraw/zinc/58/44/34/417584434.db2.gz ONMLYMBORHOKHL-NXOAAHMSSA-N 1 3 313.486 0.778 20 0 DCADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000576149215 417584435 /nfs/dbraw/zinc/58/44/35/417584435.db2.gz ONMLYMBORHOKHL-NXOAAHMSSA-N 1 3 313.486 0.778 20 0 DCADHO COC1(C(=O)Nc2cc(N3CCNCC3)ccn2)CC[NH2+]CC1 ZINC000638986930 417599467 /nfs/dbraw/zinc/59/94/67/417599467.db2.gz IETIROPBZNOARB-UHFFFAOYSA-N 1 3 319.409 0.198 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NCc1cccc2c1CC[NH2+]C2 ZINC000638841161 417567358 /nfs/dbraw/zinc/56/73/58/417567358.db2.gz PQMVIIUXKBNLPR-HNNXBMFYSA-N 1 3 303.406 0.717 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC000644562164 417620299 /nfs/dbraw/zinc/62/02/99/417620299.db2.gz ZUWXJBHJLZLVJX-STQMWFEESA-N 1 3 303.472 0.178 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)C3CC[NH2+]CC3)cc2)[nH]1 ZINC000576516775 417616638 /nfs/dbraw/zinc/61/66/38/417616638.db2.gz BCBXFEOHPKMBOB-UHFFFAOYSA-N 1 3 300.366 0.869 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1csc2nccn12 ZINC000531757220 417636887 /nfs/dbraw/zinc/63/68/87/417636887.db2.gz RWBFFTDTOOEPPA-UHFFFAOYSA-N 1 3 323.466 0.890 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635543842 417693001 /nfs/dbraw/zinc/69/30/01/417693001.db2.gz XZPOITGBEHXSIQ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635543842 417693005 /nfs/dbraw/zinc/69/30/05/417693005.db2.gz XZPOITGBEHXSIQ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C[C@@H]2CCc3ncnn32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000639553086 417694405 /nfs/dbraw/zinc/69/44/05/417694405.db2.gz KILHNWKXYNBSKP-PMPSAXMXSA-N 1 3 318.469 0.723 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000580440406 417701640 /nfs/dbraw/zinc/70/16/40/417701640.db2.gz UWFVFVKKGDQCRM-HNNXBMFYSA-N 1 3 306.410 0.346 20 0 DCADHO COCC[NH2+]CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000580429398 417701658 /nfs/dbraw/zinc/70/16/58/417701658.db2.gz BZRVXOCQEPUEDN-MRXNPFEDSA-N 1 3 320.437 0.646 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645224705 417715351 /nfs/dbraw/zinc/71/53/51/417715351.db2.gz SIAOWXGTFJQRNZ-AWEZNQCLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2CCOC3(CCN(C)CC3)C2)CC[N@@H+]1C ZINC000645324033 417731188 /nfs/dbraw/zinc/73/11/88/417731188.db2.gz XZOCLSXJMUPKQR-LSDHHAIUSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N2CCOC3(CCN(C)CC3)C2)CC[N@H+]1C ZINC000645324033 417731193 /nfs/dbraw/zinc/73/11/93/417731193.db2.gz XZOCLSXJMUPKQR-LSDHHAIUSA-N 1 3 324.469 0.975 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000635703982 417744254 /nfs/dbraw/zinc/74/42/54/417744254.db2.gz PUXYBIDBZSTJQN-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000635703982 417744257 /nfs/dbraw/zinc/74/42/57/417744257.db2.gz PUXYBIDBZSTJQN-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000646221365 417816070 /nfs/dbraw/zinc/81/60/70/417816070.db2.gz FKSCCPIUZFGVJT-ZBFHGGJFSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000646221365 417816077 /nfs/dbraw/zinc/81/60/77/417816077.db2.gz FKSCCPIUZFGVJT-ZBFHGGJFSA-N 1 3 309.454 0.966 20 0 DCADHO CN1CCN(CC2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635959201 417817879 /nfs/dbraw/zinc/81/78/79/417817879.db2.gz DKAANSBBFJMZLB-UHFFFAOYSA-N 1 3 320.481 0.568 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@@H](CC)CN2CCCC2)C[C@H]1C[NH3+] ZINC000652167369 417855465 /nfs/dbraw/zinc/85/54/65/417855465.db2.gz SFLITVHRRMIUHD-QLFBSQMISA-N 1 3 312.458 0.866 20 0 DCADHO CCO[C@@H]1CN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652167529 417855642 /nfs/dbraw/zinc/85/56/42/417855642.db2.gz WOLIBGMPQCBIBU-QHSBEEBCSA-N 1 3 310.442 0.474 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000636081032 417865149 /nfs/dbraw/zinc/86/51/49/417865149.db2.gz RYRKYPJWADPHAU-AWEZNQCLSA-N 1 3 322.453 0.441 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662726192 417874881 /nfs/dbraw/zinc/87/48/81/417874881.db2.gz FLURBCKIOMHBHB-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCN1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1=O ZINC000636120128 417875113 /nfs/dbraw/zinc/87/51/13/417875113.db2.gz NDYKLTYUIITTFW-UHFFFAOYSA-N 1 3 322.453 0.095 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662748621 417886432 /nfs/dbraw/zinc/88/64/32/417886432.db2.gz XNDUOGCOFWUDMT-UHFFFAOYSA-N 1 3 308.470 0.790 20 0 DCADHO CCS(=O)(=O)NCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348610 417887553 /nfs/dbraw/zinc/88/75/53/417887553.db2.gz KKCXDOYDOBLITC-BFHYXJOUSA-N 1 3 319.471 0.144 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662756018 417892409 /nfs/dbraw/zinc/89/24/09/417892409.db2.gz GXIGTKMWXRLHFN-CABCVRRESA-N 1 3 310.486 0.764 20 0 DCADHO CCN1CCN(CCNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662758845 417894844 /nfs/dbraw/zinc/89/48/44/417894844.db2.gz UWNPZBMQXPORCM-UHFFFAOYSA-N 1 3 316.449 0.700 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)[nH]1 ZINC000662775494 417898436 /nfs/dbraw/zinc/89/84/36/417898436.db2.gz ROCZANXCYIFPQU-NWDGAFQWSA-N 1 3 316.365 0.233 20 0 DCADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000662665156 417840852 /nfs/dbraw/zinc/84/08/52/417840852.db2.gz IJWPOBAJLGDSJM-XHSDSOJGSA-N 1 3 303.406 0.741 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(N)C(F)(F)F)CC2)C1 ZINC000646002890 417844515 /nfs/dbraw/zinc/84/45/15/417844515.db2.gz ILWWIQFNWGSONW-MNOVXSKESA-N 1 3 308.348 0.114 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(N)C(F)(F)F)CC2)C1 ZINC000646002890 417844519 /nfs/dbraw/zinc/84/45/19/417844519.db2.gz ILWWIQFNWGSONW-MNOVXSKESA-N 1 3 308.348 0.114 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]2(C)CC[NH2+]C2)CC1=O ZINC000663009587 417975710 /nfs/dbraw/zinc/97/57/10/417975710.db2.gz FWAXQRHGHPAOLJ-CKEIUWERSA-N 1 3 322.453 0.187 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1(C)C ZINC000647042059 417976028 /nfs/dbraw/zinc/97/60/28/417976028.db2.gz JUJRCLATVQVYAQ-DAXOMENPSA-N 1 3 313.442 0.404 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CCO1 ZINC000646843132 417929446 /nfs/dbraw/zinc/92/94/46/417929446.db2.gz HDFBJCBCZDMNCW-VGBQHSPPSA-N 1 3 311.426 0.094 20 0 DCADHO CCC[C@@H](N)c1cn(CC(=O)NC2CC[NH+](CC)CC2)nn1 ZINC000640866592 417934329 /nfs/dbraw/zinc/93/43/29/417934329.db2.gz JRLAEUGIEJPULT-CYBMUJFWSA-N 1 3 308.430 0.679 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662886642 417938755 /nfs/dbraw/zinc/93/87/55/417938755.db2.gz IRMVDBPPPOEHNM-HIFRSBDPSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662886643 417939157 /nfs/dbraw/zinc/93/91/57/417939157.db2.gz IRMVDBPPPOEHNM-ZFWWWQNUSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673020 417940672 /nfs/dbraw/zinc/94/06/72/417940672.db2.gz CFONKFUMZGDDBH-ZIAGYGMSSA-N 1 3 324.469 0.468 20 0 DCADHO CN(C(=O)[C@H](N)CC(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901349 417942054 /nfs/dbraw/zinc/94/20/54/417942054.db2.gz VSCHHIWGWUHDRD-QWHCGFSZSA-N 1 3 318.412 0.596 20 0 DCADHO CN(C(=O)[C@H](N)CC(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901349 417942057 /nfs/dbraw/zinc/94/20/57/417942057.db2.gz VSCHHIWGWUHDRD-QWHCGFSZSA-N 1 3 318.412 0.596 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000662945289 417959294 /nfs/dbraw/zinc/95/92/94/417959294.db2.gz LWJIWTKYRZOJGV-JLLWLGSASA-N 1 3 305.382 0.178 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652737433 417963176 /nfs/dbraw/zinc/96/31/76/417963176.db2.gz KCIHGUQCBZUPTF-UHFFFAOYSA-N 1 3 324.469 0.518 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000662964466 417964832 /nfs/dbraw/zinc/96/48/32/417964832.db2.gz BOMINALSOLJAPH-OAHLLOKOSA-N 1 3 304.438 0.923 20 0 DCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653111952 418027725 /nfs/dbraw/zinc/02/77/25/418027725.db2.gz HJLZHQYZAUCCAB-HOTGVXAUSA-N 1 3 306.454 0.555 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653108043 418028429 /nfs/dbraw/zinc/02/84/29/418028429.db2.gz GYBRUFHUJKZPCR-RDJZCZTQSA-N 1 3 303.406 0.600 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000647597338 418031679 /nfs/dbraw/zinc/03/16/79/418031679.db2.gz FFWSTBBJWMDDBU-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000647596669 418031763 /nfs/dbraw/zinc/03/17/63/418031763.db2.gz HDPDJGSEUSVQKZ-IHRRRGAJSA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653124971 418033903 /nfs/dbraw/zinc/03/39/03/418033903.db2.gz NVCUEQNUZGYDQP-HYVNUMGLSA-N 1 3 322.497 0.907 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000653952309 418119462 /nfs/dbraw/zinc/11/94/62/418119462.db2.gz IIXLVGZXFOVNBE-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000653952309 418119465 /nfs/dbraw/zinc/11/94/65/418119465.db2.gz IIXLVGZXFOVNBE-QLFBSQMISA-N 1 3 310.442 0.179 20 0 DCADHO CC1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659529068 418111487 /nfs/dbraw/zinc/11/14/87/418111487.db2.gz IQCRFLSNAARCKH-HNNXBMFYSA-N 1 3 324.469 0.929 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659538195 418114519 /nfs/dbraw/zinc/11/45/19/418114519.db2.gz OAIBKQROPFONTF-SWLSCSKDSA-N 1 3 306.410 0.400 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C[C@@H]2CNCCO2)C1 ZINC000653267737 418050660 /nfs/dbraw/zinc/05/06/60/418050660.db2.gz VKPXLSOSIVAZJO-TUVASFSCSA-N 1 3 311.426 0.252 20 0 DCADHO CCNC(=O)N1CC[C@@H](NC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000647909298 418074719 /nfs/dbraw/zinc/07/47/19/418074719.db2.gz AFOFGYBGFXOQGK-CQSZACIVSA-N 1 3 312.458 0.615 20 0 DCADHO CCCCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000659318546 418081356 /nfs/dbraw/zinc/08/13/56/418081356.db2.gz CPCYXTDRSRMITF-UHFFFAOYSA-N 1 3 300.447 0.197 20 0 DCADHO [NH3+]CCn1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)nn1 ZINC000659364223 418086495 /nfs/dbraw/zinc/08/64/95/418086495.db2.gz KFEMZFHOIQNCCK-CQSZACIVSA-N 1 3 316.365 0.150 20 0 DCADHO COCCN(C)C[C@H](O)C[N@@H+]1CCN(C)CC12CCCCC2 ZINC000653565468 418089020 /nfs/dbraw/zinc/08/90/20/418089020.db2.gz OANPJYIRIXGTOU-INIZCTEOSA-N 1 3 313.486 0.876 20 0 DCADHO COCCN(C)C[C@H](O)C[N@H+]1CCN(C)CC12CCCCC2 ZINC000653565468 418089023 /nfs/dbraw/zinc/08/90/23/418089023.db2.gz OANPJYIRIXGTOU-INIZCTEOSA-N 1 3 313.486 0.876 20 0 DCADHO C[C@H](CNC(=O)NCC1([NH3+])CCCC1)CN1CCN(C)CC1 ZINC000659459827 418100156 /nfs/dbraw/zinc/10/01/56/418100156.db2.gz GFGPXIXWGCNQFK-CQSZACIVSA-N 1 3 311.474 0.441 20 0 DCADHO C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCSC1 ZINC000659462725 418100268 /nfs/dbraw/zinc/10/02/68/418100268.db2.gz GMUVBHSWWOFHCI-NQBHXWOUSA-N 1 3 304.435 0.504 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000659459095 418101161 /nfs/dbraw/zinc/10/11/61/418101161.db2.gz IHSMYQDYLKEKAW-ZDUSSCGKSA-N 1 3 304.438 0.993 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NCC23CC(C2)C[NH2+]3)CCCO1 ZINC000659487211 418105205 /nfs/dbraw/zinc/10/52/05/418105205.db2.gz RIIPLJFZCOZKIW-HLIUYOAVSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659608850 418125914 /nfs/dbraw/zinc/12/59/14/418125914.db2.gz RKFNKGVMAZIJRI-BMFZPTHFSA-N 1 3 322.453 0.633 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000659609036 418126018 /nfs/dbraw/zinc/12/60/18/418126018.db2.gz ICDULRGEEHAWOT-HUUCEWRRSA-N 1 3 309.458 0.160 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659607927 418126064 /nfs/dbraw/zinc/12/60/64/418126064.db2.gz HRZYNKOQYFZVQL-JKSUJKDBSA-N 1 3 322.453 0.776 20 0 DCADHO CN(C)CCOC1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659619591 418128798 /nfs/dbraw/zinc/12/87/98/418128798.db2.gz YZKZPLIZJINMDX-UHFFFAOYSA-N 1 3 310.442 0.491 20 0 DCADHO COC1CCN(CCNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659621509 418130276 /nfs/dbraw/zinc/13/02/76/418130276.db2.gz GHZNEKBPBWTRKZ-CQSZACIVSA-N 1 3 300.447 0.770 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000659640364 418134701 /nfs/dbraw/zinc/13/47/01/418134701.db2.gz NXMNGIWMMLMDRP-CQSZACIVSA-N 1 3 311.474 0.263 20 0 DCADHO CC1CC[NH+](CCCNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654356423 418136341 /nfs/dbraw/zinc/13/63/41/418136341.db2.gz WNWDMSUMKXYLQI-JKSUJKDBSA-N 1 3 324.469 0.569 20 0 DCADHO O=C(NCCC[NH+]1CCCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654356211 418136687 /nfs/dbraw/zinc/13/66/87/418136687.db2.gz PMVFDBSZFPUNLL-LSDHHAIUSA-N 1 3 310.442 0.323 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)C[NH+]1CCCC1 ZINC000659709178 418156410 /nfs/dbraw/zinc/15/64/10/418156410.db2.gz GINWXLQNNSYZGF-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659711504 418157427 /nfs/dbraw/zinc/15/74/27/418157427.db2.gz AURMSPUNGDQEAA-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CCn1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000664884672 418159492 /nfs/dbraw/zinc/15/94/92/418159492.db2.gz GPWKIBULAVJARJ-AWEZNQCLSA-N 1 3 324.473 0.974 20 0 DCADHO CCn1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000664884672 418159494 /nfs/dbraw/zinc/15/94/94/418159494.db2.gz GPWKIBULAVJARJ-AWEZNQCLSA-N 1 3 324.473 0.974 20 0 DCADHO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654586700 418163697 /nfs/dbraw/zinc/16/36/97/418163697.db2.gz YPDLBHCPHOJODQ-JKSUJKDBSA-N 1 3 322.453 0.464 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCC1 ZINC000659733261 418168525 /nfs/dbraw/zinc/16/85/25/418168525.db2.gz RYBPFUVYSXECIK-CYBMUJFWSA-N 1 3 308.426 0.071 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659740608 418172722 /nfs/dbraw/zinc/17/27/22/418172722.db2.gz IVTMOXPPFDFTTI-RHSMWYFYSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)c2ccccc2O1 ZINC000649347250 418245758 /nfs/dbraw/zinc/24/57/58/418245758.db2.gz MROSVBKFULUWOJ-CYBMUJFWSA-N 1 3 319.405 0.721 20 0 DCADHO CCC(CC)(C[NH3+])C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000649352761 418246770 /nfs/dbraw/zinc/24/67/70/418246770.db2.gz IXEPFESKUCXHSR-HNNXBMFYSA-N 1 3 310.486 0.990 20 0 DCADHO CN(C)CCN1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000654851315 418195147 /nfs/dbraw/zinc/19/51/47/418195147.db2.gz WMJBNRCHVPTREU-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CO[C@H](C[NH+]1CCC(N(C)CCCO)CC1)[C@H]1CCOC1 ZINC000659931998 418202428 /nfs/dbraw/zinc/20/24/28/418202428.db2.gz XEBMHBJJMSIOBK-GOEBONIOSA-N 1 3 300.443 0.817 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665409794 418205663 /nfs/dbraw/zinc/20/56/63/418205663.db2.gz OHMIHLUMQACOSW-CYBMUJFWSA-N 1 3 300.447 0.689 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000660055674 418225267 /nfs/dbraw/zinc/22/52/67/418225267.db2.gz CQGGFWMGQDHRHF-ZDUSSCGKSA-N 1 3 319.396 0.800 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000660055428 418225637 /nfs/dbraw/zinc/22/56/37/418225637.db2.gz DQWSLQLERBSENX-GDBMZVCRSA-N 1 3 311.470 0.927 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000655975217 418310651 /nfs/dbraw/zinc/31/06/51/418310651.db2.gz UIFBBEYMHLLDNY-RRFJBIMHSA-N 1 3 309.458 0.288 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656024611 418319183 /nfs/dbraw/zinc/31/91/83/418319183.db2.gz OCBPYWRFGQKKPQ-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)C[C@H]2N)cn1 ZINC000655481718 418266558 /nfs/dbraw/zinc/26/65/58/418266558.db2.gz NVNIFOYFHADEAH-DSJMHWKBSA-N 1 3 303.410 0.063 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656355180 418349430 /nfs/dbraw/zinc/34/94/30/418349430.db2.gz KAEFZTCUDUFCPF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C/C=C\C[N@H+](C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661611071 418351086 /nfs/dbraw/zinc/35/10/86/418351086.db2.gz IASIEYTXABFZNU-JGPFYOFESA-N 1 3 314.426 0.237 20 0 DCADHO CN(C/C=C\C[N@@H+](C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661611071 418351089 /nfs/dbraw/zinc/35/10/89/418351089.db2.gz IASIEYTXABFZNU-JGPFYOFESA-N 1 3 314.426 0.237 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296490 418398744 /nfs/dbraw/zinc/39/87/44/418398744.db2.gz QQKFCXCDJVXTGB-IKGGRYGDSA-N 1 3 315.421 0.531 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000662296490 418398747 /nfs/dbraw/zinc/39/87/47/418398747.db2.gz QQKFCXCDJVXTGB-IKGGRYGDSA-N 1 3 315.421 0.531 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](Cn2ccnn2)C1 ZINC000662296490 418398750 /nfs/dbraw/zinc/39/87/50/418398750.db2.gz QQKFCXCDJVXTGB-IKGGRYGDSA-N 1 3 315.421 0.531 20 0 DCADHO C[C@H](CNC(=O)NCCOCC[NH+](C)C)N1CCC(C)CC1 ZINC000471646583 287518990 /nfs/dbraw/zinc/51/89/90/287518990.db2.gz MHQNFLFATMTMRB-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCN(CC)CCO ZINC000187309956 261123487 /nfs/dbraw/zinc/12/34/87/261123487.db2.gz WTHUZWCNWZJTHP-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCN(CC)CCO ZINC000187309956 261123490 /nfs/dbraw/zinc/12/34/90/261123490.db2.gz WTHUZWCNWZJTHP-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N(C)CC(=O)OC)C[C@H]1C ZINC000354225665 261192899 /nfs/dbraw/zinc/19/28/99/261192899.db2.gz SNNORFMQCCHETB-ZIAGYGMSSA-N 1 3 313.442 0.813 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N(C)CC(=O)OC)C[C@H]1C ZINC000354225665 261192900 /nfs/dbraw/zinc/19/29/00/261192900.db2.gz SNNORFMQCCHETB-ZIAGYGMSSA-N 1 3 313.442 0.813 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354662755 261253569 /nfs/dbraw/zinc/25/35/69/261253569.db2.gz MITYVZYCEXUUKF-OCCSQVGLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354722202 261262897 /nfs/dbraw/zinc/26/28/97/261262897.db2.gz ZGEIIOYIHDQYPW-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1CN(CCN2CCCC2=O)CCN1C1CC[NH+](C)CC1 ZINC000355035729 261299245 /nfs/dbraw/zinc/29/92/45/261299245.db2.gz UWPZKEDYMINDPK-OAHLLOKOSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000355309182 261329552 /nfs/dbraw/zinc/32/95/52/261329552.db2.gz CFOLVXJAHDLREE-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)CCOCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000355358760 261334143 /nfs/dbraw/zinc/33/41/43/261334143.db2.gz YFWAWPJFXFBJOF-YIONKMFJSA-N 1 3 312.458 0.831 20 0 DCADHO CN(C)CCOCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000355358760 261334144 /nfs/dbraw/zinc/33/41/44/261334144.db2.gz YFWAWPJFXFBJOF-YIONKMFJSA-N 1 3 312.458 0.831 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355866235 261371257 /nfs/dbraw/zinc/37/12/57/261371257.db2.gz SDDFIOVSKGYQJR-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000416970681 262242618 /nfs/dbraw/zinc/24/26/18/262242618.db2.gz AYHVBUALNPFDDM-CQSZACIVSA-N 1 3 306.410 0.870 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417027626 262243680 /nfs/dbraw/zinc/24/36/80/262243680.db2.gz NTSYEGBPBKGENW-RBSFLKMASA-N 1 3 312.458 0.642 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417039233 262244508 /nfs/dbraw/zinc/24/45/08/262244508.db2.gz UYABPHQMNWUJRP-HNNXBMFYSA-N 1 3 311.474 0.455 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000417752293 262260476 /nfs/dbraw/zinc/26/04/76/262260476.db2.gz QMABOIVORSBLMD-LSDHHAIUSA-N 1 3 311.474 0.311 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)NC[C@H](N)c1ccccc1 ZINC000417755702 262260549 /nfs/dbraw/zinc/26/05/49/262260549.db2.gz RBINDIXCWOTNBO-HNNXBMFYSA-N 1 3 308.426 0.954 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)NC[C@H](N)c1ccccc1 ZINC000417755702 262260552 /nfs/dbraw/zinc/26/05/52/262260552.db2.gz RBINDIXCWOTNBO-HNNXBMFYSA-N 1 3 308.426 0.954 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)NCCN(C)CCCOC)CC1 ZINC000417760595 262260590 /nfs/dbraw/zinc/26/05/90/262260590.db2.gz XTVXXDNHMWLPKJ-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000417822511 262262637 /nfs/dbraw/zinc/26/26/37/262262637.db2.gz IQDGQJNRARMQOF-JSGCOSHPSA-N 1 3 300.472 0.817 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@H](CC[NH3+])C(F)F)CCSC1 ZINC000417832121 262263059 /nfs/dbraw/zinc/26/30/59/262263059.db2.gz RAFLDZCGPANUCU-BXKDBHETSA-N 1 3 310.414 0.705 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCSC1 ZINC000417838152 262263648 /nfs/dbraw/zinc/26/36/48/262263648.db2.gz VWSDMESJJRFFKR-IPYPFGDCSA-N 1 3 312.483 0.817 20 0 DCADHO C[NH2+]CCCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417985936 262267386 /nfs/dbraw/zinc/26/73/86/262267386.db2.gz GCNJZMPCZJOHQX-MRXNPFEDSA-N 1 3 320.437 0.662 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1C ZINC000418001440 262267794 /nfs/dbraw/zinc/26/77/94/262267794.db2.gz KQTKWZUDRWCQGW-KFWWJZLASA-N 1 3 309.458 0.158 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418371073 262275824 /nfs/dbraw/zinc/27/58/24/262275824.db2.gz QPCPLOGBASQCJI-AWEZNQCLSA-N 1 3 312.458 0.596 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000418424517 262277207 /nfs/dbraw/zinc/27/72/07/262277207.db2.gz HMHXIUJLNBPJQC-CQSZACIVSA-N 1 3 313.490 0.829 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418573390 262282613 /nfs/dbraw/zinc/28/26/13/262282613.db2.gz LGVJZNVXWKZKLR-RBSFLKMASA-N 1 3 312.458 0.376 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)NC[C@H]1C[NH2+]CCCO1 ZINC000418642282 262284383 /nfs/dbraw/zinc/28/43/83/262284383.db2.gz TUBCYOSLDJZZSL-GDBMZVCRSA-N 1 3 318.421 0.551 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)NC[C@H]1C[NH2+]CCCO1 ZINC000418642289 262284632 /nfs/dbraw/zinc/28/46/32/262284632.db2.gz TUBCYOSLDJZZSL-ZBFHGGJFSA-N 1 3 318.421 0.551 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418655269 262285367 /nfs/dbraw/zinc/28/53/67/262285367.db2.gz QLZJDQUUANJOAY-ZBFHGGJFSA-N 1 3 320.437 0.927 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000418922019 262298851 /nfs/dbraw/zinc/29/88/51/262298851.db2.gz DDPGHUOOGOROAN-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418931730 262299366 /nfs/dbraw/zinc/29/93/66/262299366.db2.gz HHEJDOFSGXFNJQ-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418931725 262299675 /nfs/dbraw/zinc/29/96/75/262299675.db2.gz HGMMJFDHLIMECB-KGLIPLIRSA-N 1 3 314.474 0.665 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000419002494 262303115 /nfs/dbraw/zinc/30/31/15/262303115.db2.gz SZEJQMZKXVROHN-HNNXBMFYSA-N 1 3 318.421 0.314 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419080689 262307349 /nfs/dbraw/zinc/30/73/49/262307349.db2.gz PZCWZGPBJYNVEU-HNNXBMFYSA-N 1 3 322.453 0.403 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419081567 262307873 /nfs/dbraw/zinc/30/78/73/262307873.db2.gz RUVKWDNMEOBZEX-AWEZNQCLSA-N 1 3 310.442 0.235 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000419083305 262307897 /nfs/dbraw/zinc/30/78/97/262307897.db2.gz WECPVVBBNXPLBR-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419130133 262311857 /nfs/dbraw/zinc/31/18/57/262311857.db2.gz ARASTCISDPAIRT-DZGCQCFKSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419130133 262311858 /nfs/dbraw/zinc/31/18/58/262311858.db2.gz ARASTCISDPAIRT-DZGCQCFKSA-N 1 3 324.469 0.324 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419158011 262314498 /nfs/dbraw/zinc/31/44/98/262314498.db2.gz MGZALRMUPQZPBD-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419175277 262317154 /nfs/dbraw/zinc/31/71/54/262317154.db2.gz XCSCENLUOPYFRG-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCC1 ZINC000419221562 262320595 /nfs/dbraw/zinc/32/05/95/262320595.db2.gz CGSZNSVTWRSZTB-OAHLLOKOSA-N 1 3 310.442 0.093 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419232013 262320994 /nfs/dbraw/zinc/32/09/94/262320994.db2.gz TYLVLGDKCFEIED-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C(=O)C(=O)NCC1(N(C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000419232710 262321813 /nfs/dbraw/zinc/32/18/13/262321813.db2.gz FXCUWYXRCIFEBS-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419284146 262323923 /nfs/dbraw/zinc/32/39/23/262323923.db2.gz KINPLBRQPSUOAU-UONOGXRCSA-N 1 3 312.458 0.278 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000419281928 262323993 /nfs/dbraw/zinc/32/39/93/262323993.db2.gz HOWDBOWQZBDTJF-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419416969 262331870 /nfs/dbraw/zinc/33/18/70/262331870.db2.gz HIHAEHINKVVKNF-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419420701 262332580 /nfs/dbraw/zinc/33/25/80/262332580.db2.gz KGMQZAWVSBIPHC-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419419049 262332608 /nfs/dbraw/zinc/33/26/08/262332608.db2.gz YTHULZNUXAFCQC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419519064 262337075 /nfs/dbraw/zinc/33/70/75/262337075.db2.gz FMHKADKHVZADEX-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419587171 262338872 /nfs/dbraw/zinc/33/88/72/262338872.db2.gz NLWDPWCEOKUEAB-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419589773 262339357 /nfs/dbraw/zinc/33/93/57/262339357.db2.gz POEODEDMOGOGAQ-AWEZNQCLSA-N 1 3 308.426 0.013 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419592027 262339361 /nfs/dbraw/zinc/33/93/61/262339361.db2.gz RLLNCMNPXKWZDM-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419596048 262339474 /nfs/dbraw/zinc/33/94/74/262339474.db2.gz XLCURTMVDBVBJB-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419595680 262339494 /nfs/dbraw/zinc/33/94/94/262339494.db2.gz WXKUNMGHLFGSTN-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1CN ZINC000419648738 262344227 /nfs/dbraw/zinc/34/42/27/262344227.db2.gz MUFKSZGLDRTCFL-UMVBOHGHSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@@H]1CN ZINC000419648738 262344228 /nfs/dbraw/zinc/34/42/28/262344228.db2.gz MUFKSZGLDRTCFL-UMVBOHGHSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419690845 262345053 /nfs/dbraw/zinc/34/50/53/262345053.db2.gz CVPXVIOSYJCRQF-UMVBOHGHSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419696989 262346696 /nfs/dbraw/zinc/34/66/96/262346696.db2.gz NICIQASVMCGIQO-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419700536 262347430 /nfs/dbraw/zinc/34/74/30/262347430.db2.gz XOSOBLWKJOJIDD-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419698411 262347578 /nfs/dbraw/zinc/34/75/78/262347578.db2.gz SISIETUQTLWGGK-UONOGXRCSA-N 1 3 322.453 0.378 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419842562 262348426 /nfs/dbraw/zinc/34/84/26/262348426.db2.gz BKCIYENTYUFUOD-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000419884656 262352039 /nfs/dbraw/zinc/35/20/39/262352039.db2.gz XTJBGLRWWDIMTP-DNDYEEKYSA-N 1 3 324.469 0.609 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419981084 262355778 /nfs/dbraw/zinc/35/57/78/262355778.db2.gz RQKRRECAQLXRLG-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000420137998 262362822 /nfs/dbraw/zinc/36/28/22/262362822.db2.gz FFQIQWFYFLJTHF-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000420158379 262364761 /nfs/dbraw/zinc/36/47/61/262364761.db2.gz HGNUWYQKFBJPKQ-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420270374 262368697 /nfs/dbraw/zinc/36/86/97/262368697.db2.gz YQJIUQBKTXQUIN-NEPJUHHUSA-N 1 3 319.457 0.981 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420286889 262369059 /nfs/dbraw/zinc/36/90/59/262369059.db2.gz FXBXVZLTZWOLAA-GOEBONIOSA-N 1 3 304.438 0.686 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@@H]2COC[C@@H]2OC)CC[NH2+]CC1 ZINC000423171448 262431430 /nfs/dbraw/zinc/43/14/30/262431430.db2.gz ONBJNKGZMDLHQH-XQQFMLRXSA-N 1 3 300.399 0.311 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000423765385 262461142 /nfs/dbraw/zinc/46/11/42/262461142.db2.gz WXGJKENUJQRKPZ-HUUCEWRRSA-N 1 3 309.385 0.657 20 0 DCADHO O=C(N[C@@H]1CNCCC1(F)F)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424170448 262481526 /nfs/dbraw/zinc/48/15/26/262481526.db2.gz AZVLHABZLZWPOA-MWLCHTKSSA-N 1 3 313.352 0.604 20 0 DCADHO C[C@@H](C(=O)N(C)CCN(C)C)[C@@H](C)C(=O)N(C)CC[NH+](C)C ZINC000359387623 271112328 /nfs/dbraw/zinc/11/23/28/271112328.db2.gz YMIWTRQOMSSFKK-ZIAGYGMSSA-N 1 3 314.474 0.299 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418327201 271242860 /nfs/dbraw/zinc/24/28/60/271242860.db2.gz YZMNHVCRIIFVFE-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CCC[NH2+]CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418464697 271245763 /nfs/dbraw/zinc/24/57/63/271245763.db2.gz AZDVHTSUHTZRHO-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418622121 271249218 /nfs/dbraw/zinc/24/92/18/271249218.db2.gz UAAKSZABTLQFJL-NUEKZKHPSA-N 1 3 320.437 0.516 20 0 DCADHO CCN(CC)[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])c1ccccc1 ZINC000418842152 271256897 /nfs/dbraw/zinc/25/68/97/271256897.db2.gz HJVYCQJDWKHTBN-HNNXBMFYSA-N 1 3 320.437 0.603 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)[C@H]1CC[NH2+]C1 ZINC000418951622 271262815 /nfs/dbraw/zinc/26/28/15/271262815.db2.gz UQYYTLLJQVRHTC-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419024883 271266286 /nfs/dbraw/zinc/26/62/86/271266286.db2.gz LEXVCAMTROHHPD-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419033223 271269238 /nfs/dbraw/zinc/26/92/38/271269238.db2.gz YGFOZZDQFFJXOA-LBPRGKRZSA-N 1 3 312.458 0.467 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000419065503 271272254 /nfs/dbraw/zinc/27/22/54/271272254.db2.gz AETWZINRKRTXSZ-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000419247184 271278557 /nfs/dbraw/zinc/27/85/57/271278557.db2.gz WWBTVGHRIRDHRH-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419432645 271289620 /nfs/dbraw/zinc/28/96/20/271289620.db2.gz YKDNNPIOARBEDX-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419523607 271298340 /nfs/dbraw/zinc/29/83/40/271298340.db2.gz OSQNQSSGHWNTRH-CJNGLKHVSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000419580958 271311699 /nfs/dbraw/zinc/31/16/99/271311699.db2.gz IAGJCDFABCBUIR-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000419673045 271320635 /nfs/dbraw/zinc/32/06/35/271320635.db2.gz IPQCCNPRMHZFBW-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419829396 271330626 /nfs/dbraw/zinc/33/06/26/271330626.db2.gz PSXPOJRUNDHAEJ-KGLIPLIRSA-N 1 3 312.458 0.324 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419931666 271344275 /nfs/dbraw/zinc/34/42/75/271344275.db2.gz DBQLPALRMYMFKM-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420035623 271354079 /nfs/dbraw/zinc/35/40/79/271354079.db2.gz ZEBINHXDQMENQK-CYBMUJFWSA-N 1 3 320.437 0.560 20 0 DCADHO CC(C)[C@H](CNC(=O)/C=C\C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000491844073 272106840 /nfs/dbraw/zinc/10/68/40/272106840.db2.gz HNDAPSSVFKQVNW-CZWPNDOFSA-N 1 3 324.469 0.479 20 0 DCADHO CC(C)[C@H](CNC(=O)/C=C\CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000491844073 272106842 /nfs/dbraw/zinc/10/68/42/272106842.db2.gz HNDAPSSVFKQVNW-CZWPNDOFSA-N 1 3 324.469 0.479 20 0 DCADHO O=C([C@H]1CCCN1C1CC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000492895423 272156691 /nfs/dbraw/zinc/15/66/91/272156691.db2.gz TXLJNTJLNVSKSV-QGZVFWFLSA-N 1 3 320.481 0.853 20 0 DCADHO CCOC(=O)C1([C@@H](C)NC2CN(C(=O)OC)C2)CC[NH2+]CC1 ZINC000496108008 272293460 /nfs/dbraw/zinc/29/34/60/272293460.db2.gz SQEIZWCUOPOKMD-LLVKDONJSA-N 1 3 313.398 0.348 20 0 DCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000511158485 272396589 /nfs/dbraw/zinc/39/65/89/272396589.db2.gz UVKGWEATIXUGHR-MXWKQRLJSA-N 1 3 310.364 0.312 20 0 DCADHO N[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000517739382 272472972 /nfs/dbraw/zinc/47/29/72/272472972.db2.gz OLELMYFZRIVJBS-KGLIPLIRSA-N 1 3 304.394 0.061 20 0 DCADHO CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000521005267 272526772 /nfs/dbraw/zinc/52/67/72/272526772.db2.gz TUEPKDJKVHQBBM-LSDHHAIUSA-N 1 3 311.474 0.406 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000526134858 287689340 /nfs/dbraw/zinc/68/93/40/287689340.db2.gz RZHNOZAEOTZSSN-UHFFFAOYSA-N 1 3 321.425 0.743 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CCCN2C)C1 ZINC000348105916 277310671 /nfs/dbraw/zinc/31/06/71/277310671.db2.gz GKUPKUGYTJLFFR-BZUAXINKSA-N 1 3 324.469 0.975 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000342764249 277319532 /nfs/dbraw/zinc/31/95/32/277319532.db2.gz GUFCYJDAGHEANJ-UONOGXRCSA-N 1 3 311.426 0.744 20 0 DCADHO CC(C)N1CCN([C@@H]2CC[N@H+](CCN3CCO[C@@H](C)C3)C2)CC1 ZINC000548776839 288175627 /nfs/dbraw/zinc/17/56/27/288175627.db2.gz KNZGZTHAVVFXDE-ZWKOTPCHSA-N 1 3 324.513 0.807 20 0 DCADHO CC(C)N1CCN([C@@H]2CC[N@@H+](CCN3CCO[C@@H](C)C3)C2)CC1 ZINC000548776839 288175628 /nfs/dbraw/zinc/17/56/28/288175628.db2.gz KNZGZTHAVVFXDE-ZWKOTPCHSA-N 1 3 324.513 0.807 20 0 DCADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000332574019 281187834 /nfs/dbraw/zinc/18/78/34/281187834.db2.gz XNAPROIJFQPHCS-PFSRBDOWSA-N 1 3 322.453 0.458 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000554751115 288337120 /nfs/dbraw/zinc/33/71/20/288337120.db2.gz KSYXQFCOFKSODG-HDJSIYSDSA-N 1 3 300.447 0.425 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(C(N)=O)cc1 ZINC000555551745 288354343 /nfs/dbraw/zinc/35/43/43/288354343.db2.gz JYNHMQDTDNIXIO-UHFFFAOYSA-N 1 3 320.437 0.280 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000339636809 282065020 /nfs/dbraw/zinc/06/50/20/282065020.db2.gz PAERXZLAPPTMES-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)CCN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000563096830 288629110 /nfs/dbraw/zinc/62/91/10/288629110.db2.gz KYNZCNOOEDDFCZ-LBPRGKRZSA-N 1 3 306.414 0.196 20 0 DCADHO CO[C@H](C[NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000564934872 288792082 /nfs/dbraw/zinc/79/20/82/288792082.db2.gz LLPWUCRYMLTHNW-IUODEOHRSA-N 1 3 306.410 0.697 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000565538213 288860277 /nfs/dbraw/zinc/86/02/77/288860277.db2.gz QBQVPRUKYFXJTA-JKSUJKDBSA-N 1 3 311.470 0.975 20 0 DCADHO COCC[NH+]1CCC(NC(=O)c2conc2C(C)(C)N)CC1 ZINC000565961925 288891402 /nfs/dbraw/zinc/89/14/02/288891402.db2.gz WTXHKKJEVJWIJP-UHFFFAOYSA-N 1 3 310.398 0.709 20 0 DCADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332215144 295251816 /nfs/dbraw/zinc/25/18/16/295251816.db2.gz WGIGDXCWJPKSGZ-KBPBESRZSA-N 1 3 308.426 0.023 20 0 DCADHO [NH3+][C@@H]1CCc2nc(NC(=O)C[C@@H]3CSCCN3)sc2C1 ZINC000343482273 295323625 /nfs/dbraw/zinc/32/36/25/295323625.db2.gz TWZZGVMXHXRFFK-RKDXNWHRSA-N 1 3 312.464 0.993 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000570697461 332802737 /nfs/dbraw/zinc/80/27/37/332802737.db2.gz MWXGTTWFJMBDLH-GOEBONIOSA-N 1 3 310.442 0.635 20 0 DCADHO O=C([C@@H]1CNCc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000582060819 333194304 /nfs/dbraw/zinc/19/43/04/333194304.db2.gz HGPGBQJMPIYJSJ-DOTOQJQBSA-N 1 3 314.433 0.380 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000582231238 336285106 /nfs/dbraw/zinc/28/51/06/336285106.db2.gz VGGNPPKEWQEGAH-LSDHHAIUSA-N 1 3 312.458 0.642 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000582231238 336285107 /nfs/dbraw/zinc/28/51/07/336285107.db2.gz VGGNPPKEWQEGAH-LSDHHAIUSA-N 1 3 312.458 0.642 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000582758680 337135569 /nfs/dbraw/zinc/13/55/69/337135569.db2.gz DIAKISDONAVCCX-GOEBONIOSA-N 1 3 312.458 0.330 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000582758680 337135570 /nfs/dbraw/zinc/13/55/70/337135570.db2.gz DIAKISDONAVCCX-GOEBONIOSA-N 1 3 312.458 0.330 20 0 DCADHO C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000583018797 337225450 /nfs/dbraw/zinc/22/54/50/337225450.db2.gz BKOMDIVLWCRRHX-STQMWFEESA-N 1 3 308.426 0.829 20 0 DCADHO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCNC1 ZINC000583018797 337225451 /nfs/dbraw/zinc/22/54/51/337225451.db2.gz BKOMDIVLWCRRHX-STQMWFEESA-N 1 3 308.426 0.829 20 0 DCADHO CCC[N@H+](C)CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000359275609 521475322 /nfs/dbraw/zinc/47/53/22/521475322.db2.gz PVMCRKRJRVNONX-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000359275609 521475326 /nfs/dbraw/zinc/47/53/26/521475326.db2.gz PVMCRKRJRVNONX-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000359275609 521475330 /nfs/dbraw/zinc/47/53/30/521475330.db2.gz PVMCRKRJRVNONX-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000365938203 521722443 /nfs/dbraw/zinc/72/24/43/521722443.db2.gz SEMXZCWMZCNKAH-OAGGEKHMSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000365938203 521722444 /nfs/dbraw/zinc/72/24/44/521722444.db2.gz SEMXZCWMZCNKAH-OAGGEKHMSA-N 1 3 324.469 0.975 20 0 DCADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CC[NH2+]C1 ZINC000127605310 526487911 /nfs/dbraw/zinc/48/79/11/526487911.db2.gz RZGPHPZDIZIECM-HNNXBMFYSA-N 1 3 302.422 0.677 20 0 DCADHO CN(CCNCc1cccc(C(N)=O)c1)C(=O)CC[NH+](C)C ZINC001664160149 1174404642 /nfs/dbraw/zinc/40/46/42/1174404642.db2.gz HUDXNLDNLORSTO-UHFFFAOYSA-N 1 3 306.410 0.285 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000420325039 535635878 /nfs/dbraw/zinc/63/58/78/535635878.db2.gz HXHHGLXTKUJQJC-GVDBMIGSSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000333358134 546078608 /nfs/dbraw/zinc/07/86/08/546078608.db2.gz KRIDMLCIIQZZNJ-SCRDCRAPSA-N 1 3 300.472 0.863 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C)CN1CCN(C)CC1 ZINC000333372951 546079350 /nfs/dbraw/zinc/07/93/50/546079350.db2.gz MSDRNPMOZVHENO-QLFBSQMISA-N 1 3 311.474 0.310 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000415550661 546236908 /nfs/dbraw/zinc/23/69/08/546236908.db2.gz MUJDWPCJODVBJU-UHFFFAOYSA-N 1 3 306.410 0.673 20 0 DCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615273592 546318016 /nfs/dbraw/zinc/31/80/16/546318016.db2.gz UCRGFAYUIFWOAN-AWEZNQCLSA-N 1 3 310.486 0.859 20 0 DCADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655296361 546361188 /nfs/dbraw/zinc/36/11/88/546361188.db2.gz MIZFAPUJIJHEMB-HYVNUMGLSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655296361 546361190 /nfs/dbraw/zinc/36/11/90/546361190.db2.gz MIZFAPUJIJHEMB-HYVNUMGLSA-N 1 3 321.465 0.918 20 0 DCADHO COCC(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665759562 546395251 /nfs/dbraw/zinc/39/52/51/546395251.db2.gz JXNGPRKTZSGACU-ZDUSSCGKSA-N 1 3 302.463 0.983 20 0 DCADHO COCC(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665759562 546395254 /nfs/dbraw/zinc/39/52/54/546395254.db2.gz JXNGPRKTZSGACU-ZDUSSCGKSA-N 1 3 302.463 0.983 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000666755755 546504671 /nfs/dbraw/zinc/50/46/71/546504671.db2.gz CLDRMYCPTHBHSW-OAHLLOKOSA-N 1 3 314.474 0.720 20 0 DCADHO CN(C)[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000668562749 546786126 /nfs/dbraw/zinc/78/61/26/546786126.db2.gz YURAFSVJCXYUPA-OAHLLOKOSA-N 1 3 318.421 0.673 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000668624771 546805589 /nfs/dbraw/zinc/80/55/89/546805589.db2.gz BESQJKHPCIRGNO-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000668752388 546839809 /nfs/dbraw/zinc/83/98/09/546839809.db2.gz KVSMEQUQCWWIMZ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000669028184 546906449 /nfs/dbraw/zinc/90/64/49/546906449.db2.gz WJZKQIVSVSEUQX-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000669310731 546954455 /nfs/dbraw/zinc/95/44/55/546954455.db2.gz GFKRFARLUCLMPK-GASCZTMLSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000669310731 546954458 /nfs/dbraw/zinc/95/44/58/546954458.db2.gz GFKRFARLUCLMPK-GASCZTMLSA-N 1 3 324.469 0.738 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669500098 546981359 /nfs/dbraw/zinc/98/13/59/546981359.db2.gz PCVXIQGTDXPTTQ-CQSZACIVSA-N 1 3 311.474 0.311 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519908 546983557 /nfs/dbraw/zinc/98/35/57/546983557.db2.gz WZOIYJFFRKEYJU-PMPSAXMXSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CCC(C)([NH3+])CC2)CCSC1 ZINC000669514969 546984050 /nfs/dbraw/zinc/98/40/50/546984050.db2.gz XWNSAGAZRLNORF-CQSZACIVSA-N 1 3 300.472 0.947 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000670473216 547101610 /nfs/dbraw/zinc/10/16/10/547101610.db2.gz RAZZDDPWDBEUIO-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000672982540 547431077 /nfs/dbraw/zinc/43/10/77/547431077.db2.gz XKSVIFJPQJMXOE-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000675918664 547720258 /nfs/dbraw/zinc/72/02/58/547720258.db2.gz PUXYBIDBZSTJQN-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000675918664 547720260 /nfs/dbraw/zinc/72/02/60/547720260.db2.gz PUXYBIDBZSTJQN-HUUCEWRRSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000681562522 548263771 /nfs/dbraw/zinc/26/37/71/548263771.db2.gz VNYSPFPVGRSMEP-CYBMUJFWSA-N 1 3 308.430 0.860 20 0 DCADHO COCCOCCN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001671692889 1175030684 /nfs/dbraw/zinc/03/06/84/1175030684.db2.gz FYNXQNHXPGAFPZ-HOCLYGCPSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001671692889 1175030691 /nfs/dbraw/zinc/03/06/91/1175030691.db2.gz FYNXQNHXPGAFPZ-HOCLYGCPSA-N 1 3 313.442 0.182 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000893538577 660490698 /nfs/dbraw/zinc/49/06/98/660490698.db2.gz ZFZRGXURRGFSGZ-CABCVRRESA-N 1 3 323.485 0.500 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C)CCN(C)CC2)C[N@H+]1C1CC1 ZINC000893538577 660490699 /nfs/dbraw/zinc/49/06/99/660490699.db2.gz ZFZRGXURRGFSGZ-CABCVRRESA-N 1 3 323.485 0.500 20 0 DCADHO COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978144104 660487801 /nfs/dbraw/zinc/48/78/01/660487801.db2.gz LCRPPZDERGKDAI-JONQDZQNSA-N 1 3 309.454 0.800 20 0 DCADHO COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978144104 660487803 /nfs/dbraw/zinc/48/78/03/660487803.db2.gz LCRPPZDERGKDAI-JONQDZQNSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC000979413791 660738374 /nfs/dbraw/zinc/73/83/74/660738374.db2.gz XBMTXRASOGZLNJ-DOMZBBRYSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000317863168 661139446 /nfs/dbraw/zinc/13/94/46/661139446.db2.gz JJUFZKPYSQZFJC-LVQVYYBASA-N 1 3 309.454 0.992 20 0 DCADHO Cn1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000998267991 665426253 /nfs/dbraw/zinc/42/62/53/665426253.db2.gz CANOEZSKVUKTIO-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC000998535784 665475639 /nfs/dbraw/zinc/47/56/39/665475639.db2.gz QINKAJSOJOLGJQ-YMAMQOFZSA-N 1 3 322.453 0.282 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891538463 657465771 /nfs/dbraw/zinc/46/57/71/657465771.db2.gz ZRMMRVFIQKEHQK-YCPHGPKFSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CCN(C2CC2)C1 ZINC000891558825 657481153 /nfs/dbraw/zinc/48/11/53/657481153.db2.gz AOCYECUYWBEFCG-ZFWWWQNUSA-N 1 3 322.453 0.681 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cn3)C2)C1 ZINC001023084674 657484997 /nfs/dbraw/zinc/48/49/97/657484997.db2.gz WDMYYUJKBRXLPQ-TUKIKUTGSA-N 1 3 306.385 0.909 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cn3)C2)C1 ZINC001023084674 657485004 /nfs/dbraw/zinc/48/50/04/657485004.db2.gz WDMYYUJKBRXLPQ-TUKIKUTGSA-N 1 3 306.385 0.909 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3cncc(F)c3)C2)C1 ZINC001023084256 657486155 /nfs/dbraw/zinc/48/61/55/657486155.db2.gz LSTBUVHTJJLFSC-AEGPPILISA-N 1 3 306.385 0.909 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3cncc(F)c3)C2)C1 ZINC001023084256 657486161 /nfs/dbraw/zinc/48/61/61/657486161.db2.gz LSTBUVHTJJLFSC-AEGPPILISA-N 1 3 306.385 0.909 20 0 DCADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084546 657486533 /nfs/dbraw/zinc/48/65/33/657486533.db2.gz RROUAJDKYOBKDJ-BNOWGMLFSA-N 1 3 306.410 0.926 20 0 DCADHO CCc1nocc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084546 657486537 /nfs/dbraw/zinc/48/65/37/657486537.db2.gz RROUAJDKYOBKDJ-BNOWGMLFSA-N 1 3 306.410 0.926 20 0 DCADHO COCC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041677290 657495082 /nfs/dbraw/zinc/49/50/82/657495082.db2.gz ADGUQILUBDSHKO-WBVHZDCISA-N 1 3 309.454 0.899 20 0 DCADHO COCC[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041677290 657495089 /nfs/dbraw/zinc/49/50/89/657495089.db2.gz ADGUQILUBDSHKO-WBVHZDCISA-N 1 3 309.454 0.899 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954661418 657507460 /nfs/dbraw/zinc/50/74/60/657507460.db2.gz MSUPXDLOCVRBGP-OAHLLOKOSA-N 1 3 322.453 0.092 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000970478103 657553887 /nfs/dbraw/zinc/55/38/87/657553887.db2.gz HNRPHKHWDLQSPH-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000970478103 657553891 /nfs/dbraw/zinc/55/38/91/657553891.db2.gz HNRPHKHWDLQSPH-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000939211125 665518798 /nfs/dbraw/zinc/51/87/98/665518798.db2.gz QFXWPGSCLUPDAI-IUODEOHRSA-N 1 3 316.409 0.365 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000970718465 657827108 /nfs/dbraw/zinc/82/71/08/657827108.db2.gz VOWTZHBJBROZSH-ZIAGYGMSSA-N 1 3 318.425 0.052 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC000970787585 657908888 /nfs/dbraw/zinc/90/88/88/657908888.db2.gz BDQOAMWDWQHROO-MRXNPFEDSA-N 1 3 319.453 0.987 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)CC1 ZINC001041757379 657974047 /nfs/dbraw/zinc/97/40/47/657974047.db2.gz UIFXQGLIGMTRCJ-KRWDZBQOSA-N 1 3 309.454 0.635 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001041757379 657974049 /nfs/dbraw/zinc/97/40/49/657974049.db2.gz UIFXQGLIGMTRCJ-KRWDZBQOSA-N 1 3 309.454 0.635 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000969595043 658012350 /nfs/dbraw/zinc/01/23/50/658012350.db2.gz MRDKTRYNZJTHBR-HZSPNIEDSA-N 1 3 318.425 0.050 20 0 DCADHO C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1NCCF ZINC000939292489 665545857 /nfs/dbraw/zinc/54/58/57/665545857.db2.gz LCJSQFPBEFGMKH-TZMCWYRMSA-N 1 3 311.405 0.464 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001020586418 658163232 /nfs/dbraw/zinc/16/32/32/658163232.db2.gz NUJVTJQTHFABPK-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2ccnn2C)C1)[NH+](C)C ZINC000969846334 658203652 /nfs/dbraw/zinc/20/36/52/658203652.db2.gz SGMWYLCRTPJFPP-UKRRQHHQSA-N 1 3 307.442 0.697 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926363071 658232593 /nfs/dbraw/zinc/23/25/93/658232593.db2.gz QFKOIYXRCYERHP-UONOGXRCSA-N 1 3 312.458 0.228 20 0 DCADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000998992907 665561688 /nfs/dbraw/zinc/56/16/88/665561688.db2.gz BDEIYHPZRLLYAE-NRXISQOPSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000969949548 658285584 /nfs/dbraw/zinc/28/55/84/658285584.db2.gz ULGPYPCFRFUICD-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000969949548 658285590 /nfs/dbraw/zinc/28/55/90/658285590.db2.gz ULGPYPCFRFUICD-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000969947701 658285691 /nfs/dbraw/zinc/28/56/91/658285691.db2.gz GPPJVXKIRWKUSK-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC000969985646 658323952 /nfs/dbraw/zinc/32/39/52/658323952.db2.gz KZVVKRMBPKFJNY-HIFRSBDPSA-N 1 3 307.442 0.493 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC000969989125 658324972 /nfs/dbraw/zinc/32/49/72/658324972.db2.gz HSXSVTYXYSKFFI-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001022711113 658346503 /nfs/dbraw/zinc/34/65/03/658346503.db2.gz SWVWAFMTKMKOTB-MELADBBJSA-N 1 3 305.426 0.641 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000892237571 658346666 /nfs/dbraw/zinc/34/66/66/658346666.db2.gz LGVFGYWJJXNIQB-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000892237571 658346674 /nfs/dbraw/zinc/34/66/74/658346674.db2.gz LGVFGYWJJXNIQB-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO Cn1nccc1CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971202209 658404598 /nfs/dbraw/zinc/40/45/98/658404598.db2.gz UHDPXPQOBVYWBE-HZPDHXFCSA-N 1 3 319.453 0.590 20 0 DCADHO Cn1nccc1CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971202209 658404605 /nfs/dbraw/zinc/40/46/05/658404605.db2.gz UHDPXPQOBVYWBE-HZPDHXFCSA-N 1 3 319.453 0.590 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020928280 658589194 /nfs/dbraw/zinc/58/91/94/658589194.db2.gz APDAKCODRPLQOJ-JHJVBQTASA-N 1 3 323.466 0.925 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020928280 658589199 /nfs/dbraw/zinc/58/91/99/658589199.db2.gz APDAKCODRPLQOJ-JHJVBQTASA-N 1 3 323.466 0.925 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001024438605 658624010 /nfs/dbraw/zinc/62/40/10/658624010.db2.gz SAPHEWQVTKLWRB-CVEARBPZSA-N 1 3 309.454 0.681 20 0 DCADHO CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970170543 658689513 /nfs/dbraw/zinc/68/95/13/658689513.db2.gz UKPWYKGWLKWEHI-RXAYYZCOSA-N 1 3 307.438 0.696 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cn3)C2)C1 ZINC001021048239 658726297 /nfs/dbraw/zinc/72/62/97/658726297.db2.gz WDMYYUJKBRXLPQ-KCPJHIHWSA-N 1 3 306.385 0.909 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cn3)C2)C1 ZINC001021048239 658726300 /nfs/dbraw/zinc/72/63/00/658726300.db2.gz WDMYYUJKBRXLPQ-KCPJHIHWSA-N 1 3 306.385 0.909 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001021090748 658751996 /nfs/dbraw/zinc/75/19/96/658751996.db2.gz JWXKVRSPQOXEJZ-AJNGGQMLSA-N 1 3 320.441 0.388 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891439981 658767203 /nfs/dbraw/zinc/76/72/03/658767203.db2.gz SSCXVTVKJUINTP-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022069609 658829075 /nfs/dbraw/zinc/82/90/75/658829075.db2.gz MHJCAWXGGJMLQJ-GUTXKFCHSA-N 1 3 320.441 0.425 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022069609 658829084 /nfs/dbraw/zinc/82/90/84/658829084.db2.gz MHJCAWXGGJMLQJ-GUTXKFCHSA-N 1 3 320.441 0.425 20 0 DCADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCCN1CCO ZINC000892588745 658948789 /nfs/dbraw/zinc/94/87/89/658948789.db2.gz GBQOESSMHSZLMB-FZKCQIBNSA-N 1 3 324.469 0.663 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001027215278 659084891 /nfs/dbraw/zinc/08/48/91/659084891.db2.gz FXPQFIHYBLFQSB-KBPBESRZSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001027215278 659084896 /nfs/dbraw/zinc/08/48/96/659084896.db2.gz FXPQFIHYBLFQSB-KBPBESRZSA-N 1 3 306.410 0.873 20 0 DCADHO CCn1ccnc1CNC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027215352 659084977 /nfs/dbraw/zinc/08/49/77/659084977.db2.gz HELQHGLIHJKCQV-HUUCEWRRSA-N 1 3 319.453 0.793 20 0 DCADHO CCn1ccnc1CNC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027215352 659084979 /nfs/dbraw/zinc/08/49/79/659084979.db2.gz HELQHGLIHJKCQV-HUUCEWRRSA-N 1 3 319.453 0.793 20 0 DCADHO C[C@H](CN1C(=O)N[C@H](CN2CCCCC2)C1=O)[N@H+](C)C1CC1 ZINC000924582695 659086673 /nfs/dbraw/zinc/08/66/73/659086673.db2.gz NFWAGQOFJPGYKR-TZMCWYRMSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@H](CN1C(=O)N[C@H](CN2CCCCC2)C1=O)[N@@H+](C)C1CC1 ZINC000924582695 659086681 /nfs/dbraw/zinc/08/66/81/659086681.db2.gz NFWAGQOFJPGYKR-TZMCWYRMSA-N 1 3 308.426 0.875 20 0 DCADHO CN1CCC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027217905 659089993 /nfs/dbraw/zinc/08/99/93/659089993.db2.gz RWCIMONCYNHTSD-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CC[N@H+](CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000892663088 659100199 /nfs/dbraw/zinc/10/01/99/659100199.db2.gz RZIWFGVKHPZCBE-HZPDHXFCSA-N 1 3 324.469 0.711 20 0 DCADHO CC[N@@H+](CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000892663088 659100203 /nfs/dbraw/zinc/10/02/03/659100203.db2.gz RZIWFGVKHPZCBE-HZPDHXFCSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)CN1CCN(C)CC1 ZINC000893238981 659135155 /nfs/dbraw/zinc/13/51/55/659135155.db2.gz WYEKAFKGZKCMSE-PMPSAXMXSA-N 1 3 323.485 0.215 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)CN1CCN(C)CC1 ZINC000893238981 659135157 /nfs/dbraw/zinc/13/51/57/659135157.db2.gz WYEKAFKGZKCMSE-PMPSAXMXSA-N 1 3 323.485 0.215 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC000999491903 665652989 /nfs/dbraw/zinc/65/29/89/665652989.db2.gz XQYUBUFHFLKCIC-ZIAGYGMSSA-N 1 3 308.430 0.199 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccns2)C1 ZINC001018630913 659241463 /nfs/dbraw/zinc/24/14/63/659241463.db2.gz BBBZHOMPSFOOSE-JSGCOSHPSA-N 1 3 308.451 0.970 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC000999597456 665662888 /nfs/dbraw/zinc/66/28/88/665662888.db2.gz PIRDLOLESCKQCQ-OLZOCXBDSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000397688526 659376969 /nfs/dbraw/zinc/37/69/69/659376969.db2.gz WGFDYLCMWXHRHZ-ZDUSSCGKSA-N 1 3 316.409 0.770 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001026734746 659492752 /nfs/dbraw/zinc/49/27/52/659492752.db2.gz SOYWJTMTNPJOJX-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO CCC1([NH3+])CCN(C(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000892932367 659514328 /nfs/dbraw/zinc/51/43/28/659514328.db2.gz NXMBHPADFSHXJR-CQSZACIVSA-N 1 3 312.458 0.746 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019771768 659609221 /nfs/dbraw/zinc/60/92/21/659609221.db2.gz YZICLSDKZGTWRW-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCCC3)C2)C1 ZINC001019771768 659609226 /nfs/dbraw/zinc/60/92/26/659609226.db2.gz YZICLSDKZGTWRW-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCc3cncc(F)c3)C2)C1 ZINC001019772622 659611378 /nfs/dbraw/zinc/61/13/78/659611378.db2.gz MFHSRMOSIXNOHQ-ZFWWWQNUSA-N 1 3 306.385 0.863 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCc3cncc(F)c3)C2)C1 ZINC001019772622 659611381 /nfs/dbraw/zinc/61/13/81/659611381.db2.gz MFHSRMOSIXNOHQ-ZFWWWQNUSA-N 1 3 306.385 0.863 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001026890369 659625035 /nfs/dbraw/zinc/62/50/35/659625035.db2.gz JMNDBRLYXRCOSF-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001026916551 659641197 /nfs/dbraw/zinc/64/11/97/659641197.db2.gz KBOJFEQGJVMPIU-GXTWGEPZSA-N 1 3 308.430 0.093 20 0 DCADHO COc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001020026370 659659639 /nfs/dbraw/zinc/65/96/39/659659639.db2.gz QZRXKADPTRUOKT-RBSFLKMASA-N 1 3 318.421 0.921 20 0 DCADHO CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974824129 659683104 /nfs/dbraw/zinc/68/31/04/659683104.db2.gz GWEREVQYBBBSIR-YRTQGLMCSA-N 1 3 307.438 0.696 20 0 DCADHO CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974824129 659683105 /nfs/dbraw/zinc/68/31/05/659683105.db2.gz GWEREVQYBBBSIR-YRTQGLMCSA-N 1 3 307.438 0.696 20 0 DCADHO CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)C1=O ZINC000999834083 665695971 /nfs/dbraw/zinc/69/59/71/665695971.db2.gz QCUKIYLYQBLOLN-YMAMQOFZSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001026040804 659754523 /nfs/dbraw/zinc/75/45/23/659754523.db2.gz GOMPPSJSWNBVLI-YXISZKLHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001026040804 659754528 /nfs/dbraw/zinc/75/45/28/659754528.db2.gz GOMPPSJSWNBVLI-YXISZKLHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)C1 ZINC001026043096 659759127 /nfs/dbraw/zinc/75/91/27/659759127.db2.gz ALCVKJZSSQMBNV-LVNYTYFRSA-N 1 3 307.438 0.411 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)C1 ZINC001026043096 659759131 /nfs/dbraw/zinc/75/91/31/659759131.db2.gz ALCVKJZSSQMBNV-LVNYTYFRSA-N 1 3 307.438 0.411 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001026043460 659759436 /nfs/dbraw/zinc/75/94/36/659759436.db2.gz YNITXIDQVRXSTI-IMSKVBIZSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001026043460 659759440 /nfs/dbraw/zinc/75/94/40/659759440.db2.gz YNITXIDQVRXSTI-IMSKVBIZSA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999870611 665704985 /nfs/dbraw/zinc/70/49/85/665704985.db2.gz NTFZBRMGDXXQDW-UHFFFAOYSA-N 1 3 318.421 0.426 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001032734055 665752181 /nfs/dbraw/zinc/75/21/81/665752181.db2.gz UTWPKDMCLPMJPL-HRCADAONSA-N 1 3 319.449 0.936 20 0 DCADHO Cc1[nH]nc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000893978189 661421895 /nfs/dbraw/zinc/42/18/95/661421895.db2.gz QNRNXTZBPRCRGP-UHFFFAOYSA-N 1 3 307.442 0.916 20 0 DCADHO C[C@H](O)CN1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983027726 661743058 /nfs/dbraw/zinc/74/30/58/661743058.db2.gz VMPUFTSRTVPCDO-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698871 661765742 /nfs/dbraw/zinc/76/57/42/661765742.db2.gz RDWAAOACKOHVKE-UJEKJILKSA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698871 661765744 /nfs/dbraw/zinc/76/57/44/661765744.db2.gz RDWAAOACKOHVKE-UJEKJILKSA-N 1 3 307.438 0.696 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCC1 ZINC000894332149 661897311 /nfs/dbraw/zinc/89/73/11/661897311.db2.gz NODWZMOSVJWNQY-CABCVRRESA-N 1 3 324.469 0.711 20 0 DCADHO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000983715697 662011805 /nfs/dbraw/zinc/01/18/05/662011805.db2.gz IRWJTSFZYOHGCF-VGWMRTNUSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC000895665645 662204667 /nfs/dbraw/zinc/20/46/67/662204667.db2.gz DUAYRYLTMQZADI-MELADBBJSA-N 1 3 318.437 0.373 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC000895665645 662204671 /nfs/dbraw/zinc/20/46/71/662204671.db2.gz DUAYRYLTMQZADI-MELADBBJSA-N 1 3 318.437 0.373 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC000984799799 662315842 /nfs/dbraw/zinc/31/58/42/662315842.db2.gz KEHGZVHKHUHMEB-IHRRRGAJSA-N 1 3 320.441 0.284 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000985035745 662358995 /nfs/dbraw/zinc/35/89/95/662358995.db2.gz ZDVUBHGEXPXPSC-JHJVBQTASA-N 1 3 323.466 0.864 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000985035745 662358999 /nfs/dbraw/zinc/35/89/99/662358999.db2.gz ZDVUBHGEXPXPSC-JHJVBQTASA-N 1 3 323.466 0.864 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000985118935 662369233 /nfs/dbraw/zinc/36/92/33/662369233.db2.gz FSWGSEVAZFBSAP-UMVBOHGHSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000985118935 662369234 /nfs/dbraw/zinc/36/92/34/662369234.db2.gz FSWGSEVAZFBSAP-UMVBOHGHSA-N 1 3 305.426 0.356 20 0 DCADHO CCn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000985118951 662369917 /nfs/dbraw/zinc/36/99/17/662369917.db2.gz FULFGVGIQNEDKY-RBSFLKMASA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000985118951 662369919 /nfs/dbraw/zinc/36/99/19/662369919.db2.gz FULFGVGIQNEDKY-RBSFLKMASA-N 1 3 319.453 0.839 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358016 662583699 /nfs/dbraw/zinc/58/36/99/662583699.db2.gz VNEVCKPNXWBCDQ-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000987189280 662652156 /nfs/dbraw/zinc/65/21/56/662652156.db2.gz DRYKLMBEMUQSLX-WFASDCNBSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000897509476 662796939 /nfs/dbraw/zinc/79/69/39/662796939.db2.gz ZUZLEUOPKZJVST-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000897509476 662796941 /nfs/dbraw/zinc/79/69/41/662796941.db2.gz ZUZLEUOPKZJVST-CABCVRRESA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897521301 662803978 /nfs/dbraw/zinc/80/39/78/662803978.db2.gz ADGSKIGRQMLMGF-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897521301 662803980 /nfs/dbraw/zinc/80/39/80/662803980.db2.gz ADGSKIGRQMLMGF-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000989336577 662903316 /nfs/dbraw/zinc/90/33/16/662903316.db2.gz NFBLRHFTMUVRDG-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000989336577 662903317 /nfs/dbraw/zinc/90/33/17/662903317.db2.gz NFBLRHFTMUVRDG-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729566766 662903395 /nfs/dbraw/zinc/90/33/95/662903395.db2.gz DJWBVYZUGDWTJW-OAGGEKHMSA-N 1 3 324.469 0.879 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729566766 662903396 /nfs/dbraw/zinc/90/33/96/662903396.db2.gz DJWBVYZUGDWTJW-OAGGEKHMSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000989826544 662982508 /nfs/dbraw/zinc/98/25/08/662982508.db2.gz PFBGQWAXBDMHQC-DOMZBBRYSA-N 1 3 318.421 0.426 20 0 DCADHO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000990276924 663028130 /nfs/dbraw/zinc/02/81/30/663028130.db2.gz KYRXVINZYHSRFX-INIZCTEOSA-N 1 3 317.437 0.960 20 0 DCADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990279120 663028474 /nfs/dbraw/zinc/02/84/74/663028474.db2.gz VPCBTUCHMFDZME-INIZCTEOSA-N 1 3 317.437 0.960 20 0 DCADHO CCN1CCN(CCC[NH2+][C@H]2CCOC23CCOCC3)CC1 ZINC000924654489 663072271 /nfs/dbraw/zinc/07/22/71/663072271.db2.gz IDYCVSRSHMWWTQ-INIZCTEOSA-N 1 3 311.470 0.942 20 0 DCADHO CN(CCO)CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000899738844 663185310 /nfs/dbraw/zinc/18/53/10/663185310.db2.gz NPQLZSRLTOETIU-AWEZNQCLSA-N 1 3 315.483 0.244 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccsc1 ZINC000900135874 663218492 /nfs/dbraw/zinc/21/84/92/663218492.db2.gz CHLLVRPNJZWDOW-NFAWXSAZSA-N 1 3 311.451 0.922 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1ccsc1 ZINC000900135874 663218493 /nfs/dbraw/zinc/21/84/93/663218493.db2.gz CHLLVRPNJZWDOW-NFAWXSAZSA-N 1 3 311.451 0.922 20 0 DCADHO CN(C)CCn1nccc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000900473675 663249893 /nfs/dbraw/zinc/24/98/93/663249893.db2.gz HZJZKCLRRQONHF-UHFFFAOYSA-N 1 3 319.413 0.455 20 0 DCADHO C[C@H]1C[C@H](N(C)C(=O)c2ccnn2CCN(C)C)CC[N@@H+]1C ZINC000900823141 663285209 /nfs/dbraw/zinc/28/52/09/663285209.db2.gz HJKFWWQCSUUFGQ-UONOGXRCSA-N 1 3 307.442 0.999 20 0 DCADHO C[C@H]1C[C@H](N(C)C(=O)c2ccnn2CCN(C)C)CC[N@H+]1C ZINC000900823141 663285211 /nfs/dbraw/zinc/28/52/11/663285211.db2.gz HJKFWWQCSUUFGQ-UONOGXRCSA-N 1 3 307.442 0.999 20 0 DCADHO CS[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[C@@H]1N(C)C ZINC000901231124 663331680 /nfs/dbraw/zinc/33/16/80/663331680.db2.gz USPQZPVJQIAPEN-GUTXKFCHSA-N 1 3 315.483 0.337 20 0 DCADHO CS[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[C@@H]1N(C)C ZINC000901231124 663331682 /nfs/dbraw/zinc/33/16/82/663331682.db2.gz USPQZPVJQIAPEN-GUTXKFCHSA-N 1 3 315.483 0.337 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N(C)C ZINC000901274406 663334609 /nfs/dbraw/zinc/33/46/09/663334609.db2.gz UQHIKSDPPVFSHV-HRCADAONSA-N 1 3 310.486 0.811 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000916899 665960319 /nfs/dbraw/zinc/96/03/19/665960319.db2.gz JUNXHMAFDJCWFW-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC001000916899 665960320 /nfs/dbraw/zinc/96/03/20/665960320.db2.gz JUNXHMAFDJCWFW-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCn1ccc(=O)[nH]c1=O ZINC000902516614 663417573 /nfs/dbraw/zinc/41/75/73/663417573.db2.gz DYDCOAHSQOJRCS-HIFRSBDPSA-N 1 3 316.405 0.887 20 0 DCADHO COCCCN(C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903426355 663454295 /nfs/dbraw/zinc/45/42/95/663454295.db2.gz HTLGSWUJWPZPLG-RDBSUJKOSA-N 1 3 304.456 0.639 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000903435203 663454650 /nfs/dbraw/zinc/45/46/50/663454650.db2.gz RFXFRHLKCQACIO-HIFRSBDPSA-N 1 3 319.453 0.717 20 0 DCADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000904305343 663507817 /nfs/dbraw/zinc/50/78/17/663507817.db2.gz LHZJOUAQRRQZML-CALCHBBNSA-N 1 3 316.449 0.658 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904969200 663521021 /nfs/dbraw/zinc/52/10/21/663521021.db2.gz BCWCDBUYRCAYFS-PBHICJAKSA-N 1 3 322.453 0.271 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)C[C@]1(O)CCOC1 ZINC000905153463 663533913 /nfs/dbraw/zinc/53/39/13/663533913.db2.gz FKZWJHXZDWLLNA-IAGOWNOFSA-N 1 3 312.454 0.885 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCNCCC12CCC2 ZINC000905361884 663548315 /nfs/dbraw/zinc/54/83/15/663548315.db2.gz IIKNWBHOSUQNBE-UHFFFAOYSA-N 1 3 301.456 0.534 20 0 DCADHO CC1CCN(CCC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905889564 663587152 /nfs/dbraw/zinc/58/71/52/663587152.db2.gz LYZUPTVXJSGGFH-CVEARBPZSA-N 1 3 300.443 0.600 20 0 DCADHO COCCN(CCN(C)C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906653936 663627633 /nfs/dbraw/zinc/62/76/33/663627633.db2.gz UAUODPSVNYTDOA-UHFFFAOYSA-N 1 3 322.409 0.120 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)NC[C@H](C)N1CCCCC1)C(C)C ZINC000910945707 663961159 /nfs/dbraw/zinc/96/11/59/663961159.db2.gz DPPOFBQJZQCMQW-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911030699 663974404 /nfs/dbraw/zinc/97/44/04/663974404.db2.gz ZWXUERLYKCXGEV-XUXIUFHCSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCC(C)CC1 ZINC000911091126 663980869 /nfs/dbraw/zinc/98/08/69/663980869.db2.gz OAOUSZKJBAXKQC-LJISPDSOSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1CC[NH3+] ZINC000911223428 664005539 /nfs/dbraw/zinc/00/55/39/664005539.db2.gz OKSVSIIERVGUGL-BPLDGKMQSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000911259250 664017232 /nfs/dbraw/zinc/01/72/32/664017232.db2.gz WUZFSKSLERCOJF-RDBSUJKOSA-N 1 3 324.469 0.195 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000911325918 664028474 /nfs/dbraw/zinc/02/84/74/664028474.db2.gz XXIQAWNDLCXNOG-GZBLMMOJSA-N 1 3 320.437 0.129 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000911380615 664041436 /nfs/dbraw/zinc/04/14/36/664041436.db2.gz NSCGWKDZPTWSLL-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000911532539 664070095 /nfs/dbraw/zinc/07/00/95/664070095.db2.gz MHVXVHICKLMNOM-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000911562441 664079830 /nfs/dbraw/zinc/07/98/30/664079830.db2.gz CRRVMAUTGMWULD-KKUMJFAQSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H]1CNCCN1C(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC000911724352 664102941 /nfs/dbraw/zinc/10/29/41/664102941.db2.gz LAKMWEDUOQPOPP-GXFFZTMASA-N 1 3 302.378 0.333 20 0 DCADHO CN1CCC(N(CCO)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000911945263 664124725 /nfs/dbraw/zinc/12/47/25/664124725.db2.gz HEUIZTISXYGLJP-HOCLYGCPSA-N 1 3 309.454 0.918 20 0 DCADHO CN1CCC(N(CCO)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000911945263 664124727 /nfs/dbraw/zinc/12/47/27/664124727.db2.gz HEUIZTISXYGLJP-HOCLYGCPSA-N 1 3 309.454 0.918 20 0 DCADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CCO)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008448 664647584 /nfs/dbraw/zinc/64/75/84/664647584.db2.gz CWIUKAXRVYFYOU-BQFCYCMXSA-N 1 3 321.465 0.966 20 0 DCADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008448 664647585 /nfs/dbraw/zinc/64/75/85/664647585.db2.gz CWIUKAXRVYFYOU-BQFCYCMXSA-N 1 3 321.465 0.966 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000992090838 664660432 /nfs/dbraw/zinc/66/04/32/664660432.db2.gz VAENJVSCUFVXLD-YUELXQCFSA-N 1 3 324.469 0.240 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000992090838 664660434 /nfs/dbraw/zinc/66/04/34/664660434.db2.gz VAENJVSCUFVXLD-YUELXQCFSA-N 1 3 324.469 0.240 20 0 DCADHO CCCN1CCC([N@H+](C)C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929777064 664739627 /nfs/dbraw/zinc/73/96/27/664739627.db2.gz HCZCUZDUXRSOHW-HNNXBMFYSA-N 1 3 300.443 0.695 20 0 DCADHO CCCN1CCC([N@@H+](C)C[C@H](O)C2(O)CCOCC2)CC1 ZINC000929777064 664739628 /nfs/dbraw/zinc/73/96/28/664739628.db2.gz HCZCUZDUXRSOHW-HNNXBMFYSA-N 1 3 300.443 0.695 20 0 DCADHO C[C@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCCN1CCCO ZINC000993531621 664977582 /nfs/dbraw/zinc/97/75/82/664977582.db2.gz UJOJRSABIHVMKS-GJZGRUSLSA-N 1 3 309.454 0.966 20 0 DCADHO CC[N@H+]1C[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)[C@@H](C)C1 ZINC000921406144 665300741 /nfs/dbraw/zinc/30/07/41/665300741.db2.gz CVMUGZCCIHRASF-BPUTZDHNSA-N 1 3 324.469 0.879 20 0 DCADHO CC[N@@H+]1C[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)[C@@H](C)C1 ZINC000921406144 665300742 /nfs/dbraw/zinc/30/07/42/665300742.db2.gz CVMUGZCCIHRASF-BPUTZDHNSA-N 1 3 324.469 0.879 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1)N(C)C ZINC000997855016 665354700 /nfs/dbraw/zinc/35/47/00/665354700.db2.gz JEPLHUCYXWIBPS-OAHLLOKOSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566548 666023684 /nfs/dbraw/zinc/02/36/84/666023684.db2.gz GYKYKCNPINVLSX-RDJZCZTQSA-N 1 3 322.497 0.669 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566548 666023685 /nfs/dbraw/zinc/02/36/85/666023685.db2.gz GYKYKCNPINVLSX-RDJZCZTQSA-N 1 3 322.497 0.669 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941566689 666023888 /nfs/dbraw/zinc/02/38/88/666023888.db2.gz JIQNMXNBXRBQAZ-HNNXBMFYSA-N 1 3 320.481 0.709 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941566689 666023891 /nfs/dbraw/zinc/02/38/91/666023891.db2.gz JIQNMXNBXRBQAZ-HNNXBMFYSA-N 1 3 320.481 0.709 20 0 DCADHO CC(C)CCN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666307 666041133 /nfs/dbraw/zinc/04/11/33/666041133.db2.gz UWJIJJUVTIMNAI-MRXNPFEDSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CCN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666307 666041136 /nfs/dbraw/zinc/04/11/36/666041136.db2.gz UWJIJJUVTIMNAI-MRXNPFEDSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CCN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666306 666041233 /nfs/dbraw/zinc/04/12/33/666041233.db2.gz UWJIJJUVTIMNAI-INIZCTEOSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)CCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666306 666041235 /nfs/dbraw/zinc/04/12/35/666041235.db2.gz UWJIJJUVTIMNAI-INIZCTEOSA-N 1 3 322.497 0.813 20 0 DCADHO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000921997981 666222573 /nfs/dbraw/zinc/22/25/73/666222573.db2.gz BXPGNPAXXKJVFG-DYVFJYSZSA-N 1 3 322.405 0.783 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016333895 666224135 /nfs/dbraw/zinc/22/41/35/666224135.db2.gz ZUIJFQATDVGOCB-CJNGLKHVSA-N 1 3 305.422 0.933 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004371227 666525193 /nfs/dbraw/zinc/52/51/93/666525193.db2.gz KTIJJQMOQLSUQV-HZPDHXFCSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004371227 666525196 /nfs/dbraw/zinc/52/51/96/666525196.db2.gz KTIJJQMOQLSUQV-HZPDHXFCSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995802014 666707813 /nfs/dbraw/zinc/70/78/13/666707813.db2.gz MPBOGBKACKPSTC-CHWSQXEVSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995802014 666707815 /nfs/dbraw/zinc/70/78/15/666707815.db2.gz MPBOGBKACKPSTC-CHWSQXEVSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995920099 666719870 /nfs/dbraw/zinc/71/98/70/666719870.db2.gz SGXOCPNIZNARIC-ZIAGYGMSSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995920099 666719872 /nfs/dbraw/zinc/71/98/72/666719872.db2.gz SGXOCPNIZNARIC-ZIAGYGMSSA-N 1 3 324.469 0.561 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995913222 666721478 /nfs/dbraw/zinc/72/14/78/666721478.db2.gz GSLUZBRBVOMFIX-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995913222 666721480 /nfs/dbraw/zinc/72/14/80/666721480.db2.gz GSLUZBRBVOMFIX-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996191686 666746651 /nfs/dbraw/zinc/74/66/51/666746651.db2.gz PINNSMMQZUQBRX-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996191686 666746654 /nfs/dbraw/zinc/74/66/54/666746654.db2.gz PINNSMMQZUQBRX-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000996445011 666787707 /nfs/dbraw/zinc/78/77/07/666787707.db2.gz ZLOOQPNVSOHGAC-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000996445011 666787709 /nfs/dbraw/zinc/78/77/09/666787709.db2.gz ZLOOQPNVSOHGAC-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1)C1CCC1 ZINC000996664803 666853833 /nfs/dbraw/zinc/85/38/33/666853833.db2.gz JCKYFLNXNLWTGY-UHFFFAOYSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)C1CC1 ZINC000996674171 666854831 /nfs/dbraw/zinc/85/48/31/666854831.db2.gz APCOHCRUEVECAJ-XJKSGUPXSA-N 1 3 309.454 0.944 20 0 DCADHO Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)n1 ZINC000996730449 666882103 /nfs/dbraw/zinc/88/21/03/666882103.db2.gz TVERCJILOMVCSS-INIZCTEOSA-N 1 3 319.453 0.985 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001034040475 666901101 /nfs/dbraw/zinc/90/11/01/666901101.db2.gz UHDVVLLHSNTZNW-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001034040475 666901104 /nfs/dbraw/zinc/90/11/04/666901104.db2.gz UHDVVLLHSNTZNW-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO CCC[NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000996822902 666933290 /nfs/dbraw/zinc/93/32/90/666933290.db2.gz QOPFJKPMIHKWOL-GNHJJJEISA-N 1 3 307.438 0.840 20 0 DCADHO O[C@]1(CNCCn2cncn2)CC[N@H+](Cc2ccccc2)C1 ZINC000702627528 666976941 /nfs/dbraw/zinc/97/69/41/666976941.db2.gz DATSFKWHDPNJKY-INIZCTEOSA-N 1 3 301.394 0.505 20 0 DCADHO O[C@]1(CNCCn2cncn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702627528 666976944 /nfs/dbraw/zinc/97/69/44/666976944.db2.gz DATSFKWHDPNJKY-INIZCTEOSA-N 1 3 301.394 0.505 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000996993229 667059380 /nfs/dbraw/zinc/05/93/80/667059380.db2.gz BVRGMJFZMSJMMS-ZFWWWQNUSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996993244 667059678 /nfs/dbraw/zinc/05/96/78/667059678.db2.gz BXDQQDNWPHDMRF-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996993244 667059680 /nfs/dbraw/zinc/05/96/80/667059680.db2.gz BXDQQDNWPHDMRF-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996993916 667060090 /nfs/dbraw/zinc/06/00/90/667060090.db2.gz HFGRPHJGQPXMSW-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997003972 667068132 /nfs/dbraw/zinc/06/81/32/667068132.db2.gz BCTRHGRCKNRGBR-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997003972 667068136 /nfs/dbraw/zinc/06/81/36/667068136.db2.gz BCTRHGRCKNRGBR-DZGCQCFKSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCN(C)C3=O)CC2)C1 ZINC000997007009 667069260 /nfs/dbraw/zinc/06/92/60/667069260.db2.gz NTLWNSNQXFWWPK-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCN(C)C3=O)CC2)C1 ZINC000997007003 667069668 /nfs/dbraw/zinc/06/96/68/667069668.db2.gz NTLWNSNQXFWWPK-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034658800 667093841 /nfs/dbraw/zinc/09/38/41/667093841.db2.gz GXRPPFKSCWCDOI-KBUPBQIOSA-N 1 3 324.469 0.752 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001034734768 667127913 /nfs/dbraw/zinc/12/79/13/667127913.db2.gz YDPIWOXQDRKMOB-KBUPBQIOSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)NC(=O)OC(C)(C)C ZINC000863554615 667157345 /nfs/dbraw/zinc/15/73/45/667157345.db2.gz CXDPPQPLHJOXTM-CHWSQXEVSA-N 1 3 301.431 0.946 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C)C1CC1 ZINC001034959270 667199031 /nfs/dbraw/zinc/19/90/31/667199031.db2.gz VRMFBVCJWKTVMQ-CVEARBPZSA-N 1 3 319.453 0.841 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C)C1CC1 ZINC001034958886 667199076 /nfs/dbraw/zinc/19/90/76/667199076.db2.gz NPRDMAASMIWGHA-GDBMZVCRSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1ncc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000997306599 667244270 /nfs/dbraw/zinc/24/42/70/667244270.db2.gz FXBQAWWMMGGRBV-UHFFFAOYSA-N 1 3 317.437 0.961 20 0 DCADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1)N(C)C ZINC001035197990 667266785 /nfs/dbraw/zinc/26/67/85/667266785.db2.gz YXDQANAMWIBQHV-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(=O)N1CCC2(CC[N@H+]([C@@H](C)C(N)=O)C2)CC1)N(C)C ZINC001035197990 667266787 /nfs/dbraw/zinc/26/67/87/667266787.db2.gz YXDQANAMWIBQHV-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO O=C1COC[C@@]2(C[NH2+]C3CCN(CC4CC4)CC3)COCCN12 ZINC000866557196 667381580 /nfs/dbraw/zinc/38/15/80/667381580.db2.gz ZSXYFLBZDSEQGF-QGZVFWFLSA-N 1 3 323.437 0.078 20 0 DCADHO NC(=O)Cc1cccc2c1CCN(C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000866683080 667387470 /nfs/dbraw/zinc/38/74/70/667387470.db2.gz AEHSMOWRXDYANY-HNNXBMFYSA-N 1 3 315.417 0.594 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035723297 667404232 /nfs/dbraw/zinc/40/42/32/667404232.db2.gz VAQCSRDUXJFIJI-INIZCTEOSA-N 1 3 323.481 0.881 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC3(CN(CCO)C3)CC2)C1 ZINC001035723297 667404233 /nfs/dbraw/zinc/40/42/33/667404233.db2.gz VAQCSRDUXJFIJI-INIZCTEOSA-N 1 3 323.481 0.881 20 0 DCADHO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001035733298 667405501 /nfs/dbraw/zinc/40/55/01/667405501.db2.gz YGKFWYGVPAZSLQ-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001035733294 667405625 /nfs/dbraw/zinc/40/56/25/667405625.db2.gz YGKFWYGVPAZSLQ-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001036203965 667429901 /nfs/dbraw/zinc/42/99/01/667429901.db2.gz IRSLIZOIZVCVKI-GXTWGEPZSA-N 1 3 317.397 0.071 20 0 DCADHO COCC[C@@H](N)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000884224608 667503253 /nfs/dbraw/zinc/50/32/53/667503253.db2.gz UCPVPYUBLXKCAI-OAHLLOKOSA-N 1 3 305.422 0.566 20 0 DCADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000884234765 667506081 /nfs/dbraw/zinc/50/60/81/667506081.db2.gz COSAIQICWXVJNO-GJZGRUSLSA-N 1 3 312.502 0.996 20 0 DCADHO Cc1ccc(NC(=O)C2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)nc1 ZINC000923320697 667506660 /nfs/dbraw/zinc/50/66/60/667506660.db2.gz CRXXDAPMSLURNU-KKUMJFAQSA-N 1 3 318.421 0.891 20 0 DCADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000884240298 667507644 /nfs/dbraw/zinc/50/76/44/667507644.db2.gz OKMPNXDKDSJSBZ-RRFJBIMHSA-N 1 3 322.453 0.221 20 0 DCADHO CN1CC(=O)N(CCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000923375408 667519925 /nfs/dbraw/zinc/51/99/25/667519925.db2.gz LTPCNFMOFYNUDG-DZGCQCFKSA-N 1 3 324.425 0.099 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCC1(C)C ZINC000868404286 667566643 /nfs/dbraw/zinc/56/66/43/667566643.db2.gz CDJVQCXYWHFTEZ-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC1(C)C ZINC000868406060 667567133 /nfs/dbraw/zinc/56/71/33/667567133.db2.gz LLZRELXBBUCHAZ-KRWDZBQOSA-N 1 3 322.453 0.141 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884576519 667569728 /nfs/dbraw/zinc/56/97/28/667569728.db2.gz JPIZLSZVSOHKJA-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)C2CNC2)C1 ZINC000923593097 667575120 /nfs/dbraw/zinc/57/51/20/667575120.db2.gz HOQFRVPGNVQBKC-TXEJJXNPSA-N 1 3 303.472 0.634 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)C2CNC2)C1 ZINC000923593097 667575122 /nfs/dbraw/zinc/57/51/22/667575122.db2.gz HOQFRVPGNVQBKC-TXEJJXNPSA-N 1 3 303.472 0.634 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CCC1(C)C ZINC000884711396 667597510 /nfs/dbraw/zinc/59/75/10/667597510.db2.gz NJPMXWPSOSSKRT-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000738981976 667689234 /nfs/dbraw/zinc/68/92/34/667689234.db2.gz ATLMTWMFFUURDG-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(CCn2cncn2)CC1 ZINC001006399408 667734224 /nfs/dbraw/zinc/73/42/24/667734224.db2.gz JRCNLKANWSPWRP-CQSZACIVSA-N 1 3 320.441 0.153 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(CCn2cncn2)CC1 ZINC001006399408 667734225 /nfs/dbraw/zinc/73/42/25/667734225.db2.gz JRCNLKANWSPWRP-CQSZACIVSA-N 1 3 320.441 0.153 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)CC1 ZINC000870508172 667743084 /nfs/dbraw/zinc/74/30/84/667743084.db2.gz VNXOJDIFSPJVID-INIZCTEOSA-N 1 3 320.481 0.711 20 0 DCADHO CC(C)[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)N1CCN(C)CC1 ZINC000870896051 667771395 /nfs/dbraw/zinc/77/13/95/667771395.db2.gz FGZQAFGFMBPIFM-UPTPFMHGSA-N 1 3 322.497 0.907 20 0 DCADHO CC(C)C[C@H]1CN(C)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000886600203 667780960 /nfs/dbraw/zinc/78/09/60/667780960.db2.gz OXRSMAXGSBQQHS-CVEARBPZSA-N 1 3 309.454 0.896 20 0 DCADHO CN(C)CCCS(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871813578 667852930 /nfs/dbraw/zinc/85/29/30/667852930.db2.gz UZNDVWRFEIARCN-UWVGGRQHSA-N 1 3 317.377 0.337 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000745802334 667855730 /nfs/dbraw/zinc/85/57/30/667855730.db2.gz KSJMEUKKRWVJPJ-KBUPBQIOSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000745802334 667855735 /nfs/dbraw/zinc/85/57/35/667855735.db2.gz KSJMEUKKRWVJPJ-KBUPBQIOSA-N 1 3 310.442 0.632 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872146678 667868135 /nfs/dbraw/zinc/86/81/35/667868135.db2.gz USOMSJGAWJXMEZ-LJISPDSOSA-N 1 3 321.421 0.813 20 0 DCADHO CC1(C)CO[C@H](CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872146318 667868547 /nfs/dbraw/zinc/86/85/47/667868547.db2.gz LDWTZSHEOKFDSO-FQUUOJAGSA-N 1 3 309.410 0.668 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302797 667888238 /nfs/dbraw/zinc/88/82/38/667888238.db2.gz MPNOKHHQLXIQPE-SYQHCUMBSA-N 1 3 324.425 0.143 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@@H](c2ccccc2)[NH+](C)C)C1=O ZINC000924434397 668205776 /nfs/dbraw/zinc/20/57/76/668205776.db2.gz JHEABGCDSWXODX-KGLIPLIRSA-N 1 3 304.394 0.771 20 0 DCADHO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000925424070 668316661 /nfs/dbraw/zinc/31/66/61/668316661.db2.gz IYBNUBJENSSADD-HUUCEWRRSA-N 1 3 310.442 0.444 20 0 DCADHO C[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000925424070 668316665 /nfs/dbraw/zinc/31/66/65/668316665.db2.gz IYBNUBJENSSADD-HUUCEWRRSA-N 1 3 310.442 0.444 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925538261 668328744 /nfs/dbraw/zinc/32/87/44/668328744.db2.gz SNVJDZBOHVHVCY-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC[C@H]1C[NH3+] ZINC000926324648 668394626 /nfs/dbraw/zinc/39/46/26/668394626.db2.gz BOKRZCHKTOHCLW-ILXRZTDVSA-N 1 3 322.453 0.126 20 0 DCADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000927639527 668489901 /nfs/dbraw/zinc/48/99/01/668489901.db2.gz DRFNOTYKCHAYJB-GDBMZVCRSA-N 1 3 324.469 0.833 20 0 DCADHO CCN1CCN(CCCNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781000 668509405 /nfs/dbraw/zinc/50/94/05/668509405.db2.gz LOGAJIXNNCASGM-MOEXGYKKSA-N 1 3 308.470 0.686 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCCN1CCN(C)CC1 ZINC000876781549 668509445 /nfs/dbraw/zinc/50/94/45/668509445.db2.gz OPUSJKCHHNLISP-MCIOBPLBSA-N 1 3 308.470 0.542 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000876918396 668535437 /nfs/dbraw/zinc/53/54/37/668535437.db2.gz KBWDCJOTOBZEHJ-CHYOBARYSA-N 1 3 318.425 0.312 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)C[C@@H]3CC[NH2+]C3)c2)nn1 ZINC000877206626 668575830 /nfs/dbraw/zinc/57/58/30/668575830.db2.gz JQLFEVVRLOZOEF-ZDUSSCGKSA-N 1 3 314.393 0.342 20 0 DCADHO CC[C@@H]([NH2+]C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206868 668575920 /nfs/dbraw/zinc/57/59/20/668575920.db2.gz NLOSHQJXSHQELA-CQSZACIVSA-N 1 3 302.382 0.340 20 0 DCADHO CN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CCC1(C)C ZINC000877206943 668576561 /nfs/dbraw/zinc/57/65/61/668576561.db2.gz SAOMNAKIUXHPTK-UHFFFAOYSA-N 1 3 320.441 0.759 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)CC1 ZINC000877251801 668584043 /nfs/dbraw/zinc/58/40/43/668584043.db2.gz UJIXMMKVBGDTDM-OAHLLOKOSA-N 1 3 308.470 0.613 20 0 DCADHO NC1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC2(CCC2)C1 ZINC000877327792 668602060 /nfs/dbraw/zinc/60/20/60/668602060.db2.gz DGHOTENQSVQJGI-CYBMUJFWSA-N 1 3 307.438 0.923 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000877450501 668619808 /nfs/dbraw/zinc/61/98/08/668619808.db2.gz CQKAAGSVURKECN-VHDGCEQUSA-N 1 3 318.425 0.511 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877451283 668619831 /nfs/dbraw/zinc/61/98/31/668619831.db2.gz NBOCWOVTPONYGB-LSDHHAIUSA-N 1 3 317.437 0.657 20 0 DCADHO O[C@H](CN[C@@H]1CCCC[C@H]1N1CCOCC1)C[NH+]1CCCC1 ZINC000769802238 668662590 /nfs/dbraw/zinc/66/25/90/668662590.db2.gz UAMXFXBKWKCZDT-BRWVUGGUSA-N 1 3 311.470 0.676 20 0 DCADHO CC(C)OC[C@@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000878326400 668713367 /nfs/dbraw/zinc/71/33/67/668713367.db2.gz ZBRQOBWYWJMRCL-ULQDDVLXSA-N 1 3 313.486 0.730 20 0 DCADHO Cn1c(CN2CCC3(CC2)CC[NH+](C)CC3)cc(=O)n(C)c1=O ZINC000879248558 669002657 /nfs/dbraw/zinc/00/26/57/669002657.db2.gz PEBYQBLTEGCTDS-UHFFFAOYSA-N 1 3 320.437 0.392 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CC[C@H](O)[C@H]3CCCC[C@H]32)CC1 ZINC000879417569 669031795 /nfs/dbraw/zinc/03/17/95/669031795.db2.gz BJUGUXNSTKTGIV-XHSDSOJGSA-N 1 3 309.454 0.822 20 0 DCADHO O[C@@H](CN1CCCN(c2cc[nH+]cc2)CC1)C[C@]1(O)CCOC1 ZINC000930805400 669083873 /nfs/dbraw/zinc/08/38/73/669083873.db2.gz GYOFHTGCERZNEP-IAGOWNOFSA-N 1 3 321.421 0.496 20 0 DCADHO C[C@H](N)c1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000881423715 669341529 /nfs/dbraw/zinc/34/15/29/669341529.db2.gz CNIHUKNLNFMUMK-XJKSGUPXSA-N 1 3 301.394 0.935 20 0 DCADHO C[C@H](N)c1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000881423715 669341533 /nfs/dbraw/zinc/34/15/33/669341533.db2.gz CNIHUKNLNFMUMK-XJKSGUPXSA-N 1 3 301.394 0.935 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000881623094 669357771 /nfs/dbraw/zinc/35/77/71/669357771.db2.gz UHGRAZDMQSZBKB-CQSZACIVSA-N 1 3 322.453 0.271 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)C1 ZINC000881623094 669357779 /nfs/dbraw/zinc/35/77/79/669357779.db2.gz UHGRAZDMQSZBKB-CQSZACIVSA-N 1 3 322.453 0.271 20 0 DCADHO CN1C[C@@H]2C[N@@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C[C@]2(C)C1 ZINC000933740581 669529404 /nfs/dbraw/zinc/52/94/04/669529404.db2.gz LPXXBGXTCDKSBQ-UNEWFSDZSA-N 1 3 317.437 0.799 20 0 DCADHO CN1C[C@@H]2C[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C[C@]2(C)C1 ZINC000933740581 669529409 /nfs/dbraw/zinc/52/94/09/669529409.db2.gz LPXXBGXTCDKSBQ-UNEWFSDZSA-N 1 3 317.437 0.799 20 0 DCADHO CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C[C@@H]2C1 ZINC000883448391 669689596 /nfs/dbraw/zinc/68/95/96/669689596.db2.gz DFZNURMRMDHKEE-MHORFTMASA-N 1 3 317.433 0.327 20 0 DCADHO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C[C@@H]2C1 ZINC000883448391 669689599 /nfs/dbraw/zinc/68/95/99/669689599.db2.gz DFZNURMRMDHKEE-MHORFTMASA-N 1 3 317.433 0.327 20 0 DCADHO CCN1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1=O ZINC000889332920 669783936 /nfs/dbraw/zinc/78/39/36/669783936.db2.gz OIMONPQSCBVALY-ZDUSSCGKSA-N 1 3 313.446 0.090 20 0 DCADHO CCN1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1=O ZINC000889332920 669783940 /nfs/dbraw/zinc/78/39/40/669783940.db2.gz OIMONPQSCBVALY-ZDUSSCGKSA-N 1 3 313.446 0.090 20 0 DCADHO CC(C)N1CCN(CCC[NH+]2CCC3(CNC(=O)O3)CC2)CC1 ZINC000800379990 670088355 /nfs/dbraw/zinc/08/83/55/670088355.db2.gz ZFYKTDKGHTWNSV-UHFFFAOYSA-N 1 3 324.469 0.977 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NCc1ccon1 ZINC000849276180 670772240 /nfs/dbraw/zinc/77/22/40/670772240.db2.gz AYNVSOLPZXPKOQ-LBPRGKRZSA-N 1 3 313.471 0.911 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NCc1ccon1 ZINC000849276180 670772245 /nfs/dbraw/zinc/77/22/45/670772245.db2.gz AYNVSOLPZXPKOQ-LBPRGKRZSA-N 1 3 313.471 0.911 20 0 DCADHO O=C(C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000817951365 670956432 /nfs/dbraw/zinc/95/64/32/670956432.db2.gz DRUMUTMXSPZYEV-YOEHRIQHSA-N 1 3 320.437 0.038 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000851691757 671016311 /nfs/dbraw/zinc/01/63/11/671016311.db2.gz RTHJFNZGEWXXBD-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C[C@@H](O)C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000819062203 671091292 /nfs/dbraw/zinc/09/12/92/671091292.db2.gz OPBWCTMDOAGBHT-DLBZAZTESA-N 1 3 311.470 0.675 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@](C)(CO)C1CC1 ZINC000820080780 671163479 /nfs/dbraw/zinc/16/34/79/671163479.db2.gz KTYHJXWCKUVJIW-XJKSGUPXSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@](C)(CO)C1CC1 ZINC000820080780 671163481 /nfs/dbraw/zinc/16/34/81/671163481.db2.gz KTYHJXWCKUVJIW-XJKSGUPXSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1[nH]nc2c1CNCC2 ZINC000852861859 671177455 /nfs/dbraw/zinc/17/74/55/671177455.db2.gz LIWCMCNWVIGNOL-LBPRGKRZSA-N 1 3 305.426 0.906 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1[nH]nc2c1CNCC2 ZINC000852899692 671189688 /nfs/dbraw/zinc/18/96/88/671189688.db2.gz LBVGDOKIIZCSQV-KGLIPLIRSA-N 1 3 303.410 0.802 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1[nH]nc2c1CNCC2 ZINC000852899692 671189690 /nfs/dbraw/zinc/18/96/90/671189690.db2.gz LBVGDOKIIZCSQV-KGLIPLIRSA-N 1 3 303.410 0.802 20 0 DCADHO CN(CCCN(C)C(=O)C[NH+]1CCCC1)C(=O)CN1CCCC1 ZINC000820740176 671223942 /nfs/dbraw/zinc/22/39/42/671223942.db2.gz YUTISHCRPXOAQB-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@H+](CC)C1 ZINC000853683435 671258390 /nfs/dbraw/zinc/25/83/90/671258390.db2.gz SNEWGYAJCQDVHX-HRCADAONSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@@H+](CC)C1 ZINC000853683435 671258394 /nfs/dbraw/zinc/25/83/94/671258394.db2.gz SNEWGYAJCQDVHX-HRCADAONSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C)C1 ZINC000853683671 671258655 /nfs/dbraw/zinc/25/86/55/671258655.db2.gz VQMQILIGTVSJDK-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](C)C1 ZINC000853683671 671258656 /nfs/dbraw/zinc/25/86/56/671258656.db2.gz VQMQILIGTVSJDK-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO Cc1nc(N(C)CC2CN(C)C2)nc(N(C)CC2C[NH+](C)C2)n1 ZINC000853824746 671271103 /nfs/dbraw/zinc/27/11/03/671271103.db2.gz PIPYYQIEJYLNNJ-UHFFFAOYSA-N 1 3 319.457 0.176 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000827936979 671539982 /nfs/dbraw/zinc/53/99/82/671539982.db2.gz YZHZLZOFCFQLDB-XUWVNRHRSA-N 1 3 307.438 0.602 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000829436489 671575657 /nfs/dbraw/zinc/57/56/57/671575657.db2.gz RSAMRRQELWELSB-OAHLLOKOSA-N 1 3 315.389 0.079 20 0 DCADHO C[C@H](CNC(=O)NCCCCCC[NH3+])CN1CCN(C)CC1 ZINC000831132938 671655078 /nfs/dbraw/zinc/65/50/78/671655078.db2.gz OAKMLNAFQDPMHA-OAHLLOKOSA-N 1 3 313.490 0.688 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(F)(F)F ZINC000841334155 671926181 /nfs/dbraw/zinc/92/61/81/671926181.db2.gz CIGRMOYRTKUZBP-MXWKQRLJSA-N 1 3 324.347 0.429 20 0 DCADHO CCCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000841788261 671955577 /nfs/dbraw/zinc/95/55/77/671955577.db2.gz FWEUOARBSGRWCA-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841791385 671956442 /nfs/dbraw/zinc/95/64/42/671956442.db2.gz VRJDJLPYCXUIFL-ZNMIVQPWSA-N 1 3 310.442 0.681 20 0 DCADHO CC1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000841791213 671956474 /nfs/dbraw/zinc/95/64/74/671956474.db2.gz POEKEBAGWACFLO-ZIAGYGMSSA-N 1 3 310.442 0.539 20 0 DCADHO CCN1C[C@H](CN(C)CCN(C)C2CC[NH+](C)CC2)OC1=O ZINC000846837545 672347706 /nfs/dbraw/zinc/34/77/06/672347706.db2.gz WTXMKSCKDNIHAU-HNNXBMFYSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000073378229 685075457 /nfs/dbraw/zinc/07/54/57/685075457.db2.gz NCHONXFWZDHCJD-OAHLLOKOSA-N 1 3 322.453 0.237 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000073378229 685075467 /nfs/dbraw/zinc/07/54/67/685075467.db2.gz NCHONXFWZDHCJD-OAHLLOKOSA-N 1 3 322.453 0.237 20 0 DCADHO CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](O)C1 ZINC000958727023 687880631 /nfs/dbraw/zinc/88/06/31/687880631.db2.gz BZFLUNOHKZXVJO-GDBMZVCRSA-N 1 3 305.422 0.791 20 0 DCADHO CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](O)C1 ZINC000958727023 687880640 /nfs/dbraw/zinc/88/06/40/687880640.db2.gz BZFLUNOHKZXVJO-GDBMZVCRSA-N 1 3 305.422 0.791 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2C[C@@H]2CCCOC2)CC1 ZINC001038664342 694154434 /nfs/dbraw/zinc/15/44/34/694154434.db2.gz SYAZHUWTZMPBEN-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000339751185 1158855512 /nfs/dbraw/zinc/85/55/12/1158855512.db2.gz CMOGAGNNIWFIBS-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CCCC2)cn1 ZINC000960217000 688327165 /nfs/dbraw/zinc/32/71/65/688327165.db2.gz QLOHFDDDYDCADK-INIZCTEOSA-N 1 3 319.453 0.987 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3ccn(C)n3)C2)CC[N@@H+]1C ZINC000961848649 688751613 /nfs/dbraw/zinc/75/16/13/688751613.db2.gz GAGZHXACDYKAMR-FKFRUQKQSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3ccn(C)n3)C2)CC[N@H+]1C ZINC000961848649 688751617 /nfs/dbraw/zinc/75/16/17/688751617.db2.gz GAGZHXACDYKAMR-FKFRUQKQSA-N 1 3 319.453 0.745 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001039112177 694304845 /nfs/dbraw/zinc/30/48/45/694304845.db2.gz DOHATUKQDWSEHC-JKSUJKDBSA-N 1 3 309.454 0.633 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001039112177 694304848 /nfs/dbraw/zinc/30/48/48/694304848.db2.gz DOHATUKQDWSEHC-JKSUJKDBSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CCN(CCCO)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967202570 689957921 /nfs/dbraw/zinc/95/79/21/689957921.db2.gz BZVIQPPUVNKBED-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC000968990050 690445207 /nfs/dbraw/zinc/44/52/07/690445207.db2.gz QOCSUIFTQRMDKG-KGLIPLIRSA-N 1 3 308.430 0.055 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC000969077233 690465026 /nfs/dbraw/zinc/46/50/26/690465026.db2.gz MJBKCGOYXZROKG-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC001011665922 691596453 /nfs/dbraw/zinc/59/64/53/691596453.db2.gz HTTIPBFXVJTIKP-KBPBESRZSA-N 1 3 312.458 0.338 20 0 DCADHO COCC[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016819313 692777844 /nfs/dbraw/zinc/77/78/44/692777844.db2.gz JKCSCQDSKSIAOU-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001018635203 693170405 /nfs/dbraw/zinc/17/04/05/693170405.db2.gz NWODMSGTMONIJO-DLBZAZTESA-N 1 3 317.433 0.964 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001018963081 693298469 /nfs/dbraw/zinc/29/84/69/693298469.db2.gz YJCQZVTVFVCTLH-AWEZNQCLSA-N 1 3 305.426 0.595 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001019033254 693330197 /nfs/dbraw/zinc/33/01/97/693330197.db2.gz GOLRSMDYBNXNBV-LSDHHAIUSA-N 1 3 320.437 0.416 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)CC[N@@H+]1C ZINC001019289837 693421108 /nfs/dbraw/zinc/42/11/08/693421108.db2.gz GQOZHOQLYHYHDY-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)CC[N@H+]1C ZINC001019289837 693421111 /nfs/dbraw/zinc/42/11/11/693421111.db2.gz GQOZHOQLYHYHDY-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001019653947 693555606 /nfs/dbraw/zinc/55/56/06/693555606.db2.gz SPRUPKKIFFMMIE-ZBFHGGJFSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001019653947 693555610 /nfs/dbraw/zinc/55/56/10/693555610.db2.gz SPRUPKKIFFMMIE-ZBFHGGJFSA-N 1 3 317.437 0.817 20 0 DCADHO CN(CC(=O)N1CCC2(C1)CC[NH+](CCO)CC2)C1CCC1 ZINC001040729674 694600851 /nfs/dbraw/zinc/60/08/51/694600851.db2.gz LPHJDNPJMLFRQO-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001072679223 694651455 /nfs/dbraw/zinc/65/14/55/694651455.db2.gz FXLHDEXCXPKAOS-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982938 694691027 /nfs/dbraw/zinc/69/10/27/694691027.db2.gz GOCZZMJWGFQVLR-AWEZNQCLSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982938 694691028 /nfs/dbraw/zinc/69/10/28/694691028.db2.gz GOCZZMJWGFQVLR-AWEZNQCLSA-N 1 3 309.454 0.633 20 0 DCADHO COC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983509 694691355 /nfs/dbraw/zinc/69/13/55/694691355.db2.gz YOHBKZZGZCWYBV-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO COC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983509 694691356 /nfs/dbraw/zinc/69/13/56/694691356.db2.gz YOHBKZZGZCWYBV-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)[C@@H]1CCCN1C ZINC001074564881 694908236 /nfs/dbraw/zinc/90/82/36/694908236.db2.gz IEKWDIRSVNHQRN-KKUMJFAQSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)[C@H]1CCCN1C ZINC001074564746 694908300 /nfs/dbraw/zinc/90/83/00/694908300.db2.gz ADIYEIGGXUSJAP-SOUVJXGZSA-N 1 3 305.426 0.556 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2ccnn2C)CCN1C(=O)[C@@H]1CCCCN1C ZINC001074811923 694924771 /nfs/dbraw/zinc/92/47/71/694924771.db2.gz NHGKRYSUCPQFPR-BPUTZDHNSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)[C@@H]2C)C1 ZINC001074878204 694928111 /nfs/dbraw/zinc/92/81/11/694928111.db2.gz GKFUSRAVADWSFK-ILXRZTDVSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C)C(N)=O ZINC001074878417 694928168 /nfs/dbraw/zinc/92/81/68/694928168.db2.gz TXRIAOLOJFLXIA-AGIUHOORSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001074880539 694928287 /nfs/dbraw/zinc/92/82/87/694928287.db2.gz FXVFKIFGUISNJP-HEHGZKQESA-N 1 3 315.433 0.770 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@@H]1C)N(C)C ZINC001074885831 694928529 /nfs/dbraw/zinc/92/85/29/694928529.db2.gz ZFRXPMVVKMPEIC-IHRRRGAJSA-N 1 3 308.430 0.197 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001075128900 694939387 /nfs/dbraw/zinc/93/93/87/694939387.db2.gz GFOSFMXUEPRGGA-KKUMJFAQSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCC2CC2)CC1 ZINC001570410657 1162507185 /nfs/dbraw/zinc/50/71/85/1162507185.db2.gz ISMQRBNOFSKCLW-OAHLLOKOSA-N 1 3 309.454 0.824 20 0 DCADHO CCOCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001571008274 1162666950 /nfs/dbraw/zinc/66/69/50/1162666950.db2.gz MHDTUTCRMNCVRF-GJZGRUSLSA-N 1 3 315.458 0.569 20 0 DCADHO CCOCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001571008276 1162667446 /nfs/dbraw/zinc/66/74/46/1162667446.db2.gz MHDTUTCRMNCVRF-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001691447483 1157775293 /nfs/dbraw/zinc/77/52/93/1157775293.db2.gz DYYFPCRJXKRUID-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001691447483 1157775301 /nfs/dbraw/zinc/77/53/01/1157775301.db2.gz DYYFPCRJXKRUID-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001691465414 1157785056 /nfs/dbraw/zinc/78/50/56/1157785056.db2.gz UBBBFTPPPMQHEI-OAHLLOKOSA-N 1 3 309.458 0.863 20 0 DCADHO CN(CCOCCNCc1ccccn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571678964 1162893850 /nfs/dbraw/zinc/89/38/50/1162893850.db2.gz HUFGDFJXFRFEPY-OAHLLOKOSA-N 1 3 320.437 0.598 20 0 DCADHO CN(CCOCCNCc1ccccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571678964 1162893858 /nfs/dbraw/zinc/89/38/58/1162893858.db2.gz HUFGDFJXFRFEPY-OAHLLOKOSA-N 1 3 320.437 0.598 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCn1cccn1 ZINC001671373550 1157958477 /nfs/dbraw/zinc/95/84/77/1157958477.db2.gz PLIPTHOWJGAINU-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001648964988 1158191985 /nfs/dbraw/zinc/19/19/85/1158191985.db2.gz WXVCTDUSXUQEHB-ZBFHGGJFSA-N 1 3 311.470 0.927 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)C[C@@H]3COCCN3)CC2)CC1 ZINC001771743874 1158261854 /nfs/dbraw/zinc/26/18/54/1158261854.db2.gz DWCZAJIDBFSBBR-OAHLLOKOSA-N 1 3 324.469 0.040 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2C[NH2+]CCC23CCC3)CC1 ZINC001648976911 1158264608 /nfs/dbraw/zinc/26/46/08/1158264608.db2.gz YMDDYBVNPPDMQU-JKSUJKDBSA-N 1 3 322.497 0.908 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)CC[NH2+]1 ZINC001648981263 1158267208 /nfs/dbraw/zinc/26/72/08/1158267208.db2.gz NYXKYJVSEIQJMN-DDTOSNHZSA-N 1 3 316.405 0.769 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)CC[NH2+]1 ZINC001648981266 1158267255 /nfs/dbraw/zinc/26/72/55/1158267255.db2.gz NYXKYJVSEIQJMN-SWHYSGLUSA-N 1 3 316.405 0.769 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001687482145 1158646196 /nfs/dbraw/zinc/64/61/96/1158646196.db2.gz JVGCDQBPXVQVGA-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001687482145 1158646199 /nfs/dbraw/zinc/64/61/99/1158646199.db2.gz JVGCDQBPXVQVGA-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1)C(N)=O ZINC001445956654 1159325216 /nfs/dbraw/zinc/32/52/16/1159325216.db2.gz PFNYQMVXSBMKNI-GXTWGEPZSA-N 1 3 322.453 0.221 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]1C ZINC001446425176 1159409550 /nfs/dbraw/zinc/40/95/50/1159409550.db2.gz WHJMGZOFENAPFI-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO Cn1cc([C@H]2C[N@H+](CC[C@H]3CCCN3C)C[C@H]2C(N)=O)cn1 ZINC001548431511 1159480145 /nfs/dbraw/zinc/48/01/45/1159480145.db2.gz GNLRYFDERIMYIM-RBSFLKMASA-N 1 3 305.426 0.405 20 0 DCADHO Cn1cc([C@H]2C[N@@H+](CC[C@H]3CCCN3C)C[C@H]2C(N)=O)cn1 ZINC001548431511 1159480153 /nfs/dbraw/zinc/48/01/53/1159480153.db2.gz GNLRYFDERIMYIM-RBSFLKMASA-N 1 3 305.426 0.405 20 0 DCADHO COCCOCCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566619167 1160094695 /nfs/dbraw/zinc/09/46/95/1160094695.db2.gz APTDDCJSTNFUIQ-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO COCCOCCN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001566619167 1160094703 /nfs/dbraw/zinc/09/47/03/1160094703.db2.gz APTDDCJSTNFUIQ-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CCCC[NH+](C)C ZINC001567592329 1160435187 /nfs/dbraw/zinc/43/51/87/1160435187.db2.gz VELMZLSBCLBGCK-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567741879 1160468767 /nfs/dbraw/zinc/46/87/67/1160468767.db2.gz JCKHCOZYYWFTSH-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CNC(=O)C[NH2+]CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001568087707 1160574687 /nfs/dbraw/zinc/57/46/87/1160574687.db2.gz KMRZZIMEAOZSMN-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001568300185 1160624654 /nfs/dbraw/zinc/62/46/54/1160624654.db2.gz MIAILAUJRCROSY-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO CCN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@H]1CCCN1C ZINC001568766863 1160766010 /nfs/dbraw/zinc/76/60/10/1160766010.db2.gz MIDYVPFXRJDIET-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H](O)CC(F)(F)F ZINC001568827182 1160792741 /nfs/dbraw/zinc/79/27/41/1160792741.db2.gz KSRUPGXVBSNOLC-JGLYPNHGSA-N 1 3 323.359 0.656 20 0 DCADHO CC[C@H]([NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1)C(N)=O ZINC001568938581 1160882726 /nfs/dbraw/zinc/88/27/26/1160882726.db2.gz BISHKVQAFLCQOJ-NNTXTVRGSA-N 1 3 310.442 0.244 20 0 DCADHO CCn1nncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001569214860 1160981908 /nfs/dbraw/zinc/98/19/08/1160981908.db2.gz UHBNGYUYCSMAIP-HNNXBMFYSA-N 1 3 322.457 0.720 20 0 DCADHO CCn1nncc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001569214861 1160982507 /nfs/dbraw/zinc/98/25/07/1160982507.db2.gz UHBNGYUYCSMAIP-OAHLLOKOSA-N 1 3 322.457 0.720 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O)N(C)C ZINC001569561952 1161149683 /nfs/dbraw/zinc/14/96/83/1161149683.db2.gz ABIBSEPJCVRVJM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001570300931 1161555533 /nfs/dbraw/zinc/55/55/33/1161555533.db2.gz DKEOIVOJYYQPNG-CQSZACIVSA-N 1 3 313.442 0.107 20 0 DCADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2C[C@@H](F)CN2)CC1 ZINC001573519753 1163456320 /nfs/dbraw/zinc/45/63/20/1163456320.db2.gz WLMQFDXMXKLEHK-HUUCEWRRSA-N 1 3 315.433 0.628 20 0 DCADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2C[C@@H](F)CN2)CC1 ZINC001573519753 1163456324 /nfs/dbraw/zinc/45/63/24/1163456324.db2.gz WLMQFDXMXKLEHK-HUUCEWRRSA-N 1 3 315.433 0.628 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC001574001550 1163621934 /nfs/dbraw/zinc/62/19/34/1163621934.db2.gz DUWCWHVZUIILLL-ARFHVFGLSA-N 1 3 319.405 0.569 20 0 DCADHO Nc1ccnc2c1CN(S(=O)(=O)C[C@@H]1CCCC[NH2+]1)CC2 ZINC001574291582 1163684661 /nfs/dbraw/zinc/68/46/61/1163684661.db2.gz JVFCTUQSMARRJT-NSHDSACASA-N 1 3 310.423 0.494 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1CCc1cn[nH]n1)[NH+](C)C ZINC001575441262 1164014823 /nfs/dbraw/zinc/01/48/23/1164014823.db2.gz WOYSWEANNMSWCN-GJZGRUSLSA-N 1 3 322.457 0.514 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001575832647 1164166272 /nfs/dbraw/zinc/16/62/72/1164166272.db2.gz GMXOIOSLUWTKBY-HNNXBMFYSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001577383891 1164681118 /nfs/dbraw/zinc/68/11/18/1164681118.db2.gz VOANODJSUKXQJG-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001577383891 1164681121 /nfs/dbraw/zinc/68/11/21/1164681121.db2.gz VOANODJSUKXQJG-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CCCC[C@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001577401145 1164684817 /nfs/dbraw/zinc/68/48/17/1164684817.db2.gz XYMMRLOPEYMORZ-AWEZNQCLSA-N 1 3 324.469 0.836 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001577550571 1164722105 /nfs/dbraw/zinc/72/21/05/1164722105.db2.gz ACCRBEUROVOLHD-FFHGMXDLSA-N 1 3 324.469 0.574 20 0 DCADHO CCOC(=O)c1cc(CNC[C@H]2CC3(CO2)CC[NH2+]CC3)[nH]n1 ZINC001578052989 1164908153 /nfs/dbraw/zinc/90/81/53/1164908153.db2.gz BDXDUFYGEANSHE-CYBMUJFWSA-N 1 3 322.409 0.835 20 0 DCADHO CCc1nnc(N2CC[C@@H](C[NH3+])C2)n1CCN(C)CCOC ZINC001578312578 1164972339 /nfs/dbraw/zinc/97/23/39/1164972339.db2.gz YZMJGPQRLWSUTK-ZDUSSCGKSA-N 1 3 310.446 0.204 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)C[C@H]1CNCCO1)c1cccnc1 ZINC001578415335 1165005510 /nfs/dbraw/zinc/00/55/10/1165005510.db2.gz LSPUXZRDYSOQQW-GJZGRUSLSA-N 1 3 306.410 0.569 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@]2(C)C[C@H]([NH3+])CCO2)CC1 ZINC001578533193 1165049448 /nfs/dbraw/zinc/04/94/48/1165049448.db2.gz AURSNKLBWDTQHM-GDBMZVCRSA-N 1 3 312.458 0.027 20 0 DCADHO COC(=O)CCN1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](C)C1 ZINC001578807596 1165122533 /nfs/dbraw/zinc/12/25/33/1165122533.db2.gz OHRNCRWJIALQDM-KGLIPLIRSA-N 1 3 311.426 0.077 20 0 DCADHO COC(=O)Cn1cc(CCN[C@@H](C[NH3+])C2CCCCC2)nn1 ZINC001578820475 1165129478 /nfs/dbraw/zinc/12/94/78/1165129478.db2.gz YMMZWYPYMFPKKK-AWEZNQCLSA-N 1 3 309.414 0.491 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC001579038371 1165192002 /nfs/dbraw/zinc/19/20/02/1165192002.db2.gz GMPPAQSCBBLTHD-XJKSGUPXSA-N 1 3 310.442 0.620 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001579375593 1165289342 /nfs/dbraw/zinc/28/93/42/1165289342.db2.gz YFXGIGWARIHBAI-CYBMUJFWSA-N 1 3 315.483 0.420 20 0 DCADHO CSc1ccc([C@@H](CNC(=O)CC2(O)C[NH2+]C2)N(C)C)cc1 ZINC001579387626 1165296525 /nfs/dbraw/zinc/29/65/25/1165296525.db2.gz KGNGUHODODLWKQ-CQSZACIVSA-N 1 3 323.462 0.852 20 0 DCADHO Cc1nnc(N2CC[C@@H]([NH3+])C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001579911511 1165433415 /nfs/dbraw/zinc/43/34/15/1165433415.db2.gz RSXYZDXZXOVRBU-CQSZACIVSA-N 1 3 321.473 0.150 20 0 DCADHO Cn1ccc([C@@H]2CCCN(C[C@H]3CC4(C[NH2+]C4)C(=O)O3)C2)n1 ZINC001579970834 1165455642 /nfs/dbraw/zinc/45/56/42/1165455642.db2.gz DRHRZVYHGVZHKW-CHWSQXEVSA-N 1 3 304.394 0.505 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001580134426 1165514653 /nfs/dbraw/zinc/51/46/53/1165514653.db2.gz OVAVYIRCTINKHT-IAGOWNOFSA-N 1 3 317.433 0.614 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001580134426 1165514659 /nfs/dbraw/zinc/51/46/59/1165514659.db2.gz OVAVYIRCTINKHT-IAGOWNOFSA-N 1 3 317.433 0.614 20 0 DCADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H](O)CC3(O)CCCC3)C2)nn1 ZINC001580349050 1165578643 /nfs/dbraw/zinc/57/86/43/1165578643.db2.gz GGBSDGWMPNVLBE-CABCVRRESA-N 1 3 323.441 0.430 20 0 DCADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H](O)CC3(O)CCCC3)C2)nn1 ZINC001580349050 1165578648 /nfs/dbraw/zinc/57/86/48/1165578648.db2.gz GGBSDGWMPNVLBE-CABCVRRESA-N 1 3 323.441 0.430 20 0 DCADHO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N[C@H]1CCCN(CCCO)C1 ZINC001580708364 1165693718 /nfs/dbraw/zinc/69/37/18/1165693718.db2.gz NEUUMMQRPSHFLD-ZMSDIMECSA-N 1 3 324.469 0.665 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CC([NH2+]C2CCOCC2)C1 ZINC001580811729 1165724754 /nfs/dbraw/zinc/72/47/54/1165724754.db2.gz HTFLCELZPCYTJG-UHFFFAOYSA-N 1 3 321.446 0.987 20 0 DCADHO O=C1O[C@@H](CN2CCC(O)(c3ccccc3)CC2)CC12C[NH2+]C2 ZINC001580853828 1165739654 /nfs/dbraw/zinc/73/96/54/1165739654.db2.gz VPWSWPUCDHKYEP-OAHLLOKOSA-N 1 3 316.401 0.875 20 0 DCADHO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603662257 1169346193 /nfs/dbraw/zinc/34/61/93/1169346193.db2.gz IQTPTLRVEGOLLI-LBPRGKRZSA-N 1 3 301.398 0.423 20 0 DCADHO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603662257 1169346198 /nfs/dbraw/zinc/34/61/98/1169346198.db2.gz IQTPTLRVEGOLLI-LBPRGKRZSA-N 1 3 301.398 0.423 20 0 DCADHO CN1CCN(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC001646097930 1172252277 /nfs/dbraw/zinc/25/22/77/1172252277.db2.gz MOVLTXGVRPWSBX-UHFFFAOYSA-N 1 3 320.481 0.853 20 0 DCADHO C[C@H](N)c1nc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC001646744577 1172506096 /nfs/dbraw/zinc/50/60/96/1172506096.db2.gz ULYFZGURUZHRFV-QWRGUYRKSA-N 1 3 311.455 0.529 20 0 DCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@H](O)C[NH3+] ZINC001646747106 1172508293 /nfs/dbraw/zinc/50/82/93/1172508293.db2.gz DGXKGONJKOLZCZ-LBPRGKRZSA-N 1 3 315.364 0.565 20 0 DCADHO CC(C)CNC(=O)NC(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001647243768 1172761381 /nfs/dbraw/zinc/76/13/81/1172761381.db2.gz PWMDABAAZCXVIM-UHFFFAOYSA-N 1 3 310.442 0.934 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001647582602 1172983036 /nfs/dbraw/zinc/98/30/36/1172983036.db2.gz MCIXFEATNLPFKG-OAHLLOKOSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001649881200 1173280157 /nfs/dbraw/zinc/28/01/57/1173280157.db2.gz QVNSKPMVICWAIH-VHDGCEQUSA-N 1 3 310.442 0.618 20 0 DCADHO [NH3+]C1CCN(CCNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC001650178617 1173500802 /nfs/dbraw/zinc/50/08/02/1173500802.db2.gz MKVBWHUVTJGQSJ-UHFFFAOYSA-N 1 3 323.485 0.679 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2 ZINC001650183396 1173503771 /nfs/dbraw/zinc/50/37/71/1173503771.db2.gz PFGLCMHLVTXAFF-ABASOYMWSA-N 1 3 308.426 0.419 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001650331832 1173572130 /nfs/dbraw/zinc/57/21/30/1173572130.db2.gz ISZPUKUDNXSWQO-BPUTZDHNSA-N 1 3 305.422 0.594 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001650607644 1173725270 /nfs/dbraw/zinc/72/52/70/1173725270.db2.gz UXSQJMVDCIBHHA-MGPQQGTHSA-N 1 3 305.426 0.515 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001650607644 1173725273 /nfs/dbraw/zinc/72/52/73/1173725273.db2.gz UXSQJMVDCIBHHA-MGPQQGTHSA-N 1 3 305.426 0.515 20 0 DCADHO C[C@@H](O)CCC[NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001656222017 1173853747 /nfs/dbraw/zinc/85/37/47/1173853747.db2.gz AIBTXSQIPMMBPQ-FZKCQIBNSA-N 1 3 311.470 0.974 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001661034174 1174089111 /nfs/dbraw/zinc/08/91/11/1174089111.db2.gz AGCQFTKVSBHFPM-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)N(CCCNC(=O)C12CCC[NH+](CCC1)C2)CC(N)=O ZINC001664516525 1174436656 /nfs/dbraw/zinc/43/66/56/1174436656.db2.gz FLEUQPYYRIMTTH-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)C1(N(C)C)CCC1 ZINC001668452760 1174797268 /nfs/dbraw/zinc/79/72/68/1174797268.db2.gz DWSGFXRKAKTYGF-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001669001212 1174875357 /nfs/dbraw/zinc/87/53/57/1174875357.db2.gz MPHVKKWZCJBSSF-YBJDMEARSA-N 1 3 310.442 0.067 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC001671893297 1175043211 /nfs/dbraw/zinc/04/32/11/1175043211.db2.gz CHMDJDUGTSQARP-UHFFFAOYSA-N 1 3 306.414 0.828 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC001671893297 1175043218 /nfs/dbraw/zinc/04/32/18/1175043218.db2.gz CHMDJDUGTSQARP-UHFFFAOYSA-N 1 3 306.414 0.828 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNC/C=C/Cl)CC[N@@H+]1C ZINC001672621608 1175134523 /nfs/dbraw/zinc/13/45/23/1175134523.db2.gz RBNUWQXUBLQLQG-UXOHQCDBSA-N 1 3 303.834 0.490 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNC/C=C/Cl)CC[N@H+]1C ZINC001672621608 1175134525 /nfs/dbraw/zinc/13/45/25/1175134525.db2.gz RBNUWQXUBLQLQG-UXOHQCDBSA-N 1 3 303.834 0.490 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)NC ZINC001689965093 1177129629 /nfs/dbraw/zinc/12/96/29/1177129629.db2.gz HZXORJVLPPYCCA-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)NC ZINC001689965093 1177129633 /nfs/dbraw/zinc/12/96/33/1177129633.db2.gz HZXORJVLPPYCCA-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001690658626 1177297376 /nfs/dbraw/zinc/29/73/76/1177297376.db2.gz ZVYMFKMKFZPPFV-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC001698732899 1177623258 /nfs/dbraw/zinc/62/32/58/1177623258.db2.gz DVWVBWMOFALWEK-UKRRQHHQSA-N 1 3 306.410 0.959 20 0 DCADHO COc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCN2C)n1 ZINC001699123397 1177875664 /nfs/dbraw/zinc/87/56/64/1177875664.db2.gz CCJPNSHYZNFRDY-GXTWGEPZSA-N 1 3 321.425 0.564 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699181858 1177920327 /nfs/dbraw/zinc/92/03/27/1177920327.db2.gz PYCWPJVPBHRVNW-OAHLLOKOSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001699280874 1178022427 /nfs/dbraw/zinc/02/24/27/1178022427.db2.gz ZTNZKJLIPXUTMV-ICWYTKJFSA-N 1 3 324.469 0.503 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001699280874 1178022437 /nfs/dbraw/zinc/02/24/37/1178022437.db2.gz ZTNZKJLIPXUTMV-ICWYTKJFSA-N 1 3 324.469 0.503 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CCO1 ZINC001700150487 1178498512 /nfs/dbraw/zinc/49/85/12/1178498512.db2.gz WUAORCDFWRJDAT-HUUCEWRRSA-N 1 3 313.442 0.323 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CCO1 ZINC001700150486 1178498971 /nfs/dbraw/zinc/49/89/71/1178498971.db2.gz WUAORCDFWRJDAT-GJZGRUSLSA-N 1 3 313.442 0.323 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)CCC[NH+](C)C ZINC001720135464 1180538172 /nfs/dbraw/zinc/53/81/72/1180538172.db2.gz FRWAXWMXZCDTCO-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713654366 1180997048 /nfs/dbraw/zinc/99/70/48/1180997048.db2.gz BKFUGMZXVDNDDM-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713654366 1180997054 /nfs/dbraw/zinc/99/70/54/1180997054.db2.gz BKFUGMZXVDNDDM-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001714671353 1181470746 /nfs/dbraw/zinc/47/07/46/1181470746.db2.gz JMPNKNWLZGIMCL-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001714779586 1181541333 /nfs/dbraw/zinc/54/13/33/1181541333.db2.gz DVSGJNKXOIREKJ-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001714779586 1181541338 /nfs/dbraw/zinc/54/13/38/1181541338.db2.gz DVSGJNKXOIREKJ-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001715961761 1182121001 /nfs/dbraw/zinc/12/10/01/1182121001.db2.gz GSJHEWDBPGFAQO-ZBFHGGJFSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001716339346 1182344691 /nfs/dbraw/zinc/34/46/91/1182344691.db2.gz DBFLZNUAAVVRNO-SBDDDAINSA-N 1 3 312.458 0.503 20 0 DCADHO C[C@H](CN(C)CCOCCO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716491851 1182409940 /nfs/dbraw/zinc/40/99/40/1182409940.db2.gz HFTDMHDHEFSICP-ILXRZTDVSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H](CN(C)CCOCCO)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716491851 1182409943 /nfs/dbraw/zinc/40/99/43/1182409943.db2.gz HFTDMHDHEFSICP-ILXRZTDVSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717692206 1182954928 /nfs/dbraw/zinc/95/49/28/1182954928.db2.gz RMECEYYCZPBBES-ZDUSSCGKSA-N 1 3 320.441 0.285 20 0 DCADHO CN(C)C1(C(=O)NCCCN(C)C(=O)CC[NH+](C)C)CCC1 ZINC001720499885 1183631426 /nfs/dbraw/zinc/63/14/26/1183631426.db2.gz WYAAZWCUWOOPGX-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CCn1cccn1)C1CC1 ZINC001723351768 1184290924 /nfs/dbraw/zinc/29/09/24/1184290924.db2.gz UVHHJGZBVBCGHY-OAHLLOKOSA-N 1 3 316.409 0.642 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@H](C[NH2+]CCCF)C2)C1 ZINC001724813710 1184569331 /nfs/dbraw/zinc/56/93/31/1184569331.db2.gz AGTVXKJUPKSVCT-ZIAGYGMSSA-N 1 3 301.406 0.505 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001725573471 1184890718 /nfs/dbraw/zinc/89/07/18/1184890718.db2.gz FVWBSEOTHVKBPB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001731654048 1185431463 /nfs/dbraw/zinc/43/14/63/1185431463.db2.gz QUPMCHBLNGNSEQ-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO CN(CC[NH2+]CCn1cc(Cl)cn1)C(=O)Cc1c[nH]cn1 ZINC001731957895 1185606384 /nfs/dbraw/zinc/60/63/84/1185606384.db2.gz UBRADIAXEHOQDC-UHFFFAOYSA-N 1 3 310.789 0.550 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001732424774 1185811549 /nfs/dbraw/zinc/81/15/49/1185811549.db2.gz JLOMMQKVDGDMEX-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO COc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193604323 1188069958 /nfs/dbraw/zinc/06/99/58/1188069958.db2.gz WASOQXSEQKMQEA-QLFBSQMISA-N 1 3 306.406 0.928 20 0 DCADHO COc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193604323 1188069961 /nfs/dbraw/zinc/06/99/61/1188069961.db2.gz WASOQXSEQKMQEA-QLFBSQMISA-N 1 3 306.406 0.928 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](N)CCC(=O)OC)CC1 ZINC001771880201 1188361469 /nfs/dbraw/zinc/36/14/69/1188361469.db2.gz UQYULGKUJVQSFR-ZDUSSCGKSA-N 1 3 311.426 0.744 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753965801 1188699175 /nfs/dbraw/zinc/69/91/75/1188699175.db2.gz IUCZGVGPAWCQRX-RISCZKNCSA-N 1 3 323.466 0.864 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C ZINC001754129786 1188753012 /nfs/dbraw/zinc/75/30/12/1188753012.db2.gz PZUSNGKIEQVUER-WLBISTCBSA-N 1 3 324.469 0.600 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C ZINC001754129786 1188753016 /nfs/dbraw/zinc/75/30/16/1188753016.db2.gz PZUSNGKIEQVUER-WLBISTCBSA-N 1 3 324.469 0.600 20 0 DCADHO CN(CCC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCCCN1C ZINC001754378880 1188837660 /nfs/dbraw/zinc/83/76/60/1188837660.db2.gz BDBCQXGQDOEOIX-CQSZACIVSA-N 1 3 308.430 0.238 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC001771779570 1190496955 /nfs/dbraw/zinc/49/69/55/1190496955.db2.gz RFLKVHGRMSGNDL-UHFFFAOYSA-N 1 3 320.397 0.067 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@@H]1CCCCN1CCO)C2 ZINC001772074813 1190604214 /nfs/dbraw/zinc/60/42/14/1190604214.db2.gz FFDFZMSAUCVLGH-JNJRBNHSSA-N 1 3 310.442 0.402 20 0 DCADHO COc1ccc([C@H](CNC(=O)C[C@H](O)C[NH3+])N2CCCC2)cc1 ZINC001772219295 1190633223 /nfs/dbraw/zinc/63/32/23/1190633223.db2.gz NUNJEHJYQKYQQJ-HOCLYGCPSA-N 1 3 321.421 0.658 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001772244871 1190641157 /nfs/dbraw/zinc/64/11/57/1190641157.db2.gz AKEFEBLKINFOIH-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001772244871 1190641159 /nfs/dbraw/zinc/64/11/59/1190641159.db2.gz AKEFEBLKINFOIH-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001772262506 1190647250 /nfs/dbraw/zinc/64/72/50/1190647250.db2.gz FPFDTQMHGBDMGD-IIAWOOMASA-N 1 3 306.410 0.580 20 0 DCADHO N[C@@H](CC1CC1)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001772270244 1190649684 /nfs/dbraw/zinc/64/96/84/1190649684.db2.gz YFGAHKVQAHVFCK-KRWDZBQOSA-N 1 3 316.449 0.835 20 0 DCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001575115757 1163904885 /nfs/dbraw/zinc/90/48/85/1163904885.db2.gz JLIZXHCGKQPXFS-KBMXLJTQSA-N 1 3 300.443 0.586 20 0 DCADHO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc2c(n1)CNC2 ZINC001164922354 721862663 /nfs/dbraw/zinc/86/26/63/721862663.db2.gz FWTIZXCFVOOQMW-HUUCEWRRSA-N 1 3 302.426 0.294 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475089 751412602 /nfs/dbraw/zinc/41/26/02/751412602.db2.gz QFQZVWXQWIVBDN-INIZCTEOSA-N 1 3 302.422 0.938 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC2CC2)[C@H](C)C1 ZINC001106910708 751553534 /nfs/dbraw/zinc/55/35/34/751553534.db2.gz KYZOTOJGZSKLJO-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001127643585 751601728 /nfs/dbraw/zinc/60/17/28/751601728.db2.gz BRRVWIGZIIHQRA-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001127643585 751601732 /nfs/dbraw/zinc/60/17/32/751601732.db2.gz BRRVWIGZIIHQRA-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1C ZINC001127644256 751602653 /nfs/dbraw/zinc/60/26/53/751602653.db2.gz WZSYDUPUYKQEFZ-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN[C@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1C ZINC001127644256 751602655 /nfs/dbraw/zinc/60/26/55/751602655.db2.gz WZSYDUPUYKQEFZ-MCIONIFRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001167260655 747044519 /nfs/dbraw/zinc/04/45/19/747044519.db2.gz CRWTXLZSCVYUTQ-KBPBESRZSA-N 1 3 315.458 0.210 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678756 747120565 /nfs/dbraw/zinc/12/05/65/747120565.db2.gz WNJUZRCPZVAKPM-AWEZNQCLSA-N 1 3 323.441 0.079 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001114991608 747427829 /nfs/dbraw/zinc/42/78/29/747427829.db2.gz GDDJCZMOCDUVTR-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001114991608 747427830 /nfs/dbraw/zinc/42/78/30/747427830.db2.gz GDDJCZMOCDUVTR-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001167627484 747436513 /nfs/dbraw/zinc/43/65/13/747436513.db2.gz OKYFVMDMNOLBKW-ZIAGYGMSSA-N 1 3 310.442 0.234 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655423 747451142 /nfs/dbraw/zinc/45/11/42/747451142.db2.gz PKBVKDCFJNRIJE-UHFFFAOYSA-N 1 3 307.442 0.748 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CCO)C2)CCC1 ZINC001087364321 747767616 /nfs/dbraw/zinc/76/76/16/747767616.db2.gz WHABBTWPMYRZTF-VGWMRTNUSA-N 1 3 321.465 0.632 20 0 DCADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCO)C2)CCC1 ZINC001087364321 747767621 /nfs/dbraw/zinc/76/76/21/747767621.db2.gz WHABBTWPMYRZTF-VGWMRTNUSA-N 1 3 321.465 0.632 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992940 749178787 /nfs/dbraw/zinc/17/87/87/749178787.db2.gz SQLDCBFIPAFAIJ-ZNMIVQPWSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992940 749178790 /nfs/dbraw/zinc/17/87/90/749178790.db2.gz SQLDCBFIPAFAIJ-ZNMIVQPWSA-N 1 3 309.454 0.632 20 0 DCADHO COC[C@H](O)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168346151 749926887 /nfs/dbraw/zinc/92/68/87/749926887.db2.gz UWSJXJRIPHKJHM-CQSZACIVSA-N 1 3 315.458 0.210 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CC1CC1 ZINC001088757430 749978759 /nfs/dbraw/zinc/97/87/59/749978759.db2.gz YSGLDHDXQIBTFN-PNAYKBMQSA-N 1 3 319.449 0.839 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CC1CC1 ZINC001088757430 749978763 /nfs/dbraw/zinc/97/87/63/749978763.db2.gz YSGLDHDXQIBTFN-PNAYKBMQSA-N 1 3 319.449 0.839 20 0 DCADHO CC(C)[N@H+]1C[C@@H](NC(=O)c2sccc2CN(C)C)[C@@H](O)C1 ZINC001083500636 750042778 /nfs/dbraw/zinc/04/27/78/750042778.db2.gz BQISMZJUMKFNQH-OLZOCXBDSA-N 1 3 311.451 0.993 20 0 DCADHO CC(C)[N@@H+]1C[C@@H](NC(=O)c2sccc2CN(C)C)[C@@H](O)C1 ZINC001083500636 750042787 /nfs/dbraw/zinc/04/27/87/750042787.db2.gz BQISMZJUMKFNQH-OLZOCXBDSA-N 1 3 311.451 0.993 20 0 DCADHO c1cc(-c2noc(CC[C@H]3COCCN3)n2)nc2c1C[NH2+]CC2 ZINC001212189908 750719508 /nfs/dbraw/zinc/71/95/08/750719508.db2.gz QJPWMVBKAUDQQL-LBPRGKRZSA-N 1 3 315.377 0.698 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001077516069 750918268 /nfs/dbraw/zinc/91/82/68/750918268.db2.gz CQWNVILQCDFPKQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281821 751085031 /nfs/dbraw/zinc/08/50/31/751085031.db2.gz FVMWFJIKCVXEAM-NFAWXSAZSA-N 1 3 312.458 0.003 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1)N(C)C ZINC001106673094 751224029 /nfs/dbraw/zinc/22/40/29/751224029.db2.gz BQFGFSXIYYNWKD-OAGGEKHMSA-N 1 3 321.469 0.907 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001106779165 751275869 /nfs/dbraw/zinc/27/58/69/751275869.db2.gz FZLPBFWHFSHEMI-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797869 751285218 /nfs/dbraw/zinc/28/52/18/751285218.db2.gz ZRLQRMHUMLGSIL-HUUCEWRRSA-N 1 3 324.469 0.148 20 0 DCADHO C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778733 752522582 /nfs/dbraw/zinc/52/25/82/752522582.db2.gz YWKJGGSYSIDKSI-NWANDNLSSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044756966 752861111 /nfs/dbraw/zinc/86/11/11/752861111.db2.gz SAMZHZAAMSVBPH-KGLIPLIRSA-N 1 3 316.409 0.818 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC001044858278 752905016 /nfs/dbraw/zinc/90/50/16/752905016.db2.gz RATZGYYZWWZYOG-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2nccn2C)CCN1C(=O)CN1CCCC1 ZINC001044858706 752906334 /nfs/dbraw/zinc/90/63/34/752906334.db2.gz VCBSPJNCAFKPEG-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cn1 ZINC001044960035 752960080 /nfs/dbraw/zinc/96/00/80/752960080.db2.gz SNKCUEMHMGKIKN-JKSUJKDBSA-N 1 3 317.437 0.960 20 0 DCADHO CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001045182493 753079009 /nfs/dbraw/zinc/07/90/09/753079009.db2.gz UTBHJXQTPVWYGQ-LSDHHAIUSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001045312288 753141691 /nfs/dbraw/zinc/14/16/91/753141691.db2.gz ZADTURZCJVFAKD-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CC ZINC001078395492 753219989 /nfs/dbraw/zinc/21/99/89/753219989.db2.gz GGUBIFHTMLBLGX-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)CC[N@@H+](C)CC ZINC001078395492 753219993 /nfs/dbraw/zinc/21/99/93/753219993.db2.gz GGUBIFHTMLBLGX-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001046329995 753649319 /nfs/dbraw/zinc/64/93/19/753649319.db2.gz VABCVYBKULQWSC-BFYDXBDKSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001046329995 753649322 /nfs/dbraw/zinc/64/93/22/753649322.db2.gz VABCVYBKULQWSC-BFYDXBDKSA-N 1 3 319.453 0.804 20 0 DCADHO CC(C)[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046489922 753747089 /nfs/dbraw/zinc/74/70/89/753747089.db2.gz CYDIDYDRAFKNBV-OBKBAYEDSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046489922 753747092 /nfs/dbraw/zinc/74/70/92/753747092.db2.gz CYDIDYDRAFKNBV-OBKBAYEDSA-N 1 3 307.438 0.839 20 0 DCADHO COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046492035 753748335 /nfs/dbraw/zinc/74/83/35/753748335.db2.gz HAGZFUSJHASOLW-OGOZQZCJSA-N 1 3 323.437 0.077 20 0 DCADHO COCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046492035 753748337 /nfs/dbraw/zinc/74/83/37/753748337.db2.gz HAGZFUSJHASOLW-OGOZQZCJSA-N 1 3 323.437 0.077 20 0 DCADHO C[C@H](F)CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511495 754347289 /nfs/dbraw/zinc/34/72/89/754347289.db2.gz GRNPDNWPARRCDT-QEJZJMRPSA-N 1 3 315.433 0.580 20 0 DCADHO C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047984006 754562765 /nfs/dbraw/zinc/56/27/65/754562765.db2.gz PRNWEVZJDAOGQS-QWHCGFSZSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C[NH2+]Cc1ccn(C)n1 ZINC001048475842 754768475 /nfs/dbraw/zinc/76/84/75/754768475.db2.gz OBMMVMGVWJWFMW-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058450 755096188 /nfs/dbraw/zinc/09/61/88/755096188.db2.gz YHAUZLZPENKTDP-XUWVNRHRSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058450 755096193 /nfs/dbraw/zinc/09/61/93/755096193.db2.gz YHAUZLZPENKTDP-XUWVNRHRSA-N 1 3 309.454 0.896 20 0 DCADHO C[C@H]1CC[C@H](C[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)O1 ZINC001049083860 755108897 /nfs/dbraw/zinc/10/88/97/755108897.db2.gz WWVPNMUYALEGGU-TTZDDIAXSA-N 1 3 318.421 0.910 20 0 DCADHO C[C@H]1CC[C@H](C[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)O1 ZINC001049083860 755108902 /nfs/dbraw/zinc/10/89/02/755108902.db2.gz WWVPNMUYALEGGU-TTZDDIAXSA-N 1 3 318.421 0.910 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001063130652 755114803 /nfs/dbraw/zinc/11/48/03/755114803.db2.gz HUUBDZUXVAEZRH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001063130652 755114805 /nfs/dbraw/zinc/11/48/05/755114805.db2.gz HUUBDZUXVAEZRH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1ncoc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049214551 755185039 /nfs/dbraw/zinc/18/50/39/755185039.db2.gz MZXZBAGBZDYLCQ-KFWWJZLASA-N 1 3 318.421 0.825 20 0 DCADHO Cc1ncoc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049214551 755185041 /nfs/dbraw/zinc/18/50/41/755185041.db2.gz MZXZBAGBZDYLCQ-KFWWJZLASA-N 1 3 318.421 0.825 20 0 DCADHO CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079945256 756051455 /nfs/dbraw/zinc/05/14/55/756051455.db2.gz IENKZOHCPUKZNH-INIZCTEOSA-N 1 3 324.469 0.338 20 0 DCADHO CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001054296972 756427048 /nfs/dbraw/zinc/42/70/48/756427048.db2.gz XRFYNUPBNDTOPN-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001054735052 756620946 /nfs/dbraw/zinc/62/09/46/756620946.db2.gz HHXQVBRAYATCHC-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001055372976 756782058 /nfs/dbraw/zinc/78/20/58/756782058.db2.gz VQJFKMXUAJNBSO-GASCZTMLSA-N 1 3 324.469 0.195 20 0 DCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001081894807 756863073 /nfs/dbraw/zinc/86/30/73/756863073.db2.gz CXDOZJUSVGXIEA-HUUCEWRRSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC001082766910 757260959 /nfs/dbraw/zinc/26/09/59/757260959.db2.gz HTFKIXZFBXOCGY-VHDGCEQUSA-N 1 3 306.410 0.958 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050047240 757304075 /nfs/dbraw/zinc/30/40/75/757304075.db2.gz SYNJQOPGQZSPMZ-ARFHVFGLSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050047240 757304085 /nfs/dbraw/zinc/30/40/85/757304085.db2.gz SYNJQOPGQZSPMZ-ARFHVFGLSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050661737 757940545 /nfs/dbraw/zinc/94/05/45/757940545.db2.gz BFINTNFRNWVTDH-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2O)CCC1 ZINC001099871447 758177888 /nfs/dbraw/zinc/17/78/88/758177888.db2.gz DBYRSSRYCWWGIE-STQMWFEESA-N 1 3 301.406 0.382 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](CCCF)C[C@@H]2O)CCC1 ZINC001099871447 758177894 /nfs/dbraw/zinc/17/78/94/758177894.db2.gz DBYRSSRYCWWGIE-STQMWFEESA-N 1 3 301.406 0.382 20 0 DCADHO CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001085279679 758797087 /nfs/dbraw/zinc/79/70/87/758797087.db2.gz XGXODBYAVRKOPP-VXSWHIBVSA-N 1 3 307.438 0.887 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671031 758847848 /nfs/dbraw/zinc/84/78/48/758847848.db2.gz CNCLGIFZBSEUEF-QWHCGFSZSA-N 1 3 321.425 0.257 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052117382 759189778 /nfs/dbraw/zinc/18/97/78/759189778.db2.gz LVQDZJIAYKYLIA-IAGOWNOFSA-N 1 3 320.481 0.567 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052117382 759189783 /nfs/dbraw/zinc/18/97/83/759189783.db2.gz LVQDZJIAYKYLIA-IAGOWNOFSA-N 1 3 320.481 0.567 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC001147822845 767851623 /nfs/dbraw/zinc/85/16/23/767851623.db2.gz BUFJHAQYCVPBRG-LSDHHAIUSA-N 1 3 307.442 0.746 20 0 DCADHO CCCNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147823255 767852203 /nfs/dbraw/zinc/85/22/03/767852203.db2.gz CITJCKGQTHONIE-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001147899973 767877628 /nfs/dbraw/zinc/87/76/28/767877628.db2.gz FJCHZBYPKWFMCX-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001147899973 767877635 /nfs/dbraw/zinc/87/76/35/767877635.db2.gz FJCHZBYPKWFMCX-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086085013 759695003 /nfs/dbraw/zinc/69/50/03/759695003.db2.gz NZWGSDUIHHUACJ-LXTVHRRPSA-N 1 3 322.453 0.232 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](CCCCOC)C[C@@H]1O ZINC001100042230 759829615 /nfs/dbraw/zinc/82/96/15/759829615.db2.gz WECHIOXFCAPTOM-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](CCCCOC)C[C@@H]1O ZINC001100042230 759829620 /nfs/dbraw/zinc/82/96/20/759829620.db2.gz WECHIOXFCAPTOM-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)N(CC)CC ZINC001148654827 768024184 /nfs/dbraw/zinc/02/41/84/768024184.db2.gz BNNKQMNUNQQVSN-CYBMUJFWSA-N 1 3 300.447 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071259286 761750749 /nfs/dbraw/zinc/75/07/49/761750749.db2.gz GCIIPKUXTSAXQH-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO O=C(N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)C12CC[NH+](CC1)C2 ZINC001099332501 762865545 /nfs/dbraw/zinc/86/55/45/762865545.db2.gz DIWKZYWFQJVCLU-GHMZBOCLSA-N 1 3 321.343 0.053 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129415761 762932158 /nfs/dbraw/zinc/93/21/58/762932158.db2.gz CELDGFHUTHQLGO-CQSZACIVSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129415761 762932162 /nfs/dbraw/zinc/93/21/62/762932162.db2.gz CELDGFHUTHQLGO-CQSZACIVSA-N 1 3 312.458 0.480 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129454122 762939409 /nfs/dbraw/zinc/93/94/09/762939409.db2.gz FOVKHXNGVSVBTF-TZMCWYRMSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001129429731 762939869 /nfs/dbraw/zinc/93/98/69/762939869.db2.gz KMVIQSHVQCFWHW-KGLIPLIRSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001129429731 762939876 /nfs/dbraw/zinc/93/98/76/762939876.db2.gz KMVIQSHVQCFWHW-KGLIPLIRSA-N 1 3 310.442 0.363 20 0 DCADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535689 762961926 /nfs/dbraw/zinc/96/19/26/762961926.db2.gz YDDSTZFWBWFKCP-UHFFFAOYSA-N 1 3 319.471 0.001 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001129846228 763023221 /nfs/dbraw/zinc/02/32/21/763023221.db2.gz OCHDKADRFZHCDY-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001129846228 763023225 /nfs/dbraw/zinc/02/32/25/763023225.db2.gz OCHDKADRFZHCDY-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947366 763065241 /nfs/dbraw/zinc/06/52/41/763065241.db2.gz WYDLBPHPUHGXGV-HIFRSBDPSA-N 1 3 314.474 0.439 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NCc1ccco1)[NH+](C)C ZINC001129947370 763065661 /nfs/dbraw/zinc/06/56/61/763065661.db2.gz WZUXLCOZFVQVOR-HNNXBMFYSA-N 1 3 324.425 0.188 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001130047882 763105184 /nfs/dbraw/zinc/10/51/84/763105184.db2.gz YAVHNMATVJMJGD-KGLIPLIRSA-N 1 3 308.430 0.370 20 0 DCADHO CCCNC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169463 763160142 /nfs/dbraw/zinc/16/01/42/763160142.db2.gz DJAAWDROSFZIIV-UHFFFAOYSA-N 1 3 310.442 0.094 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)C23CCC[NH+](CCC2)C3)C1=O ZINC001130171386 763162801 /nfs/dbraw/zinc/16/28/01/763162801.db2.gz OKRQURNLJBZVDS-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOC(C)C)C[C@@H]1O ZINC001100066130 763272078 /nfs/dbraw/zinc/27/20/78/763272078.db2.gz CNXJFDSWSUZEDH-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOC(C)C)C[C@@H]1O ZINC001100066130 763272085 /nfs/dbraw/zinc/27/20/85/763272085.db2.gz CNXJFDSWSUZEDH-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CCOCCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076217 763285727 /nfs/dbraw/zinc/28/57/27/763285727.db2.gz IBIWWEVNWNXHBL-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO C[NH+](C)CCCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 ZINC001130412320 763290803 /nfs/dbraw/zinc/29/08/03/763290803.db2.gz OMHYVCQLWBMRDJ-CYBMUJFWSA-N 1 3 323.441 0.149 20 0 DCADHO CCN1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099898461 768122080 /nfs/dbraw/zinc/12/20/80/768122080.db2.gz BXRCKOHZGVVGRP-CABCVRRESA-N 1 3 306.410 0.479 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001130427586 763297776 /nfs/dbraw/zinc/29/77/76/763297776.db2.gz NSBWFELDFSMOCK-UHFFFAOYSA-N 1 3 315.849 0.973 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001130428018 763300661 /nfs/dbraw/zinc/30/06/61/763300661.db2.gz YXRYMQUQUXROAZ-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001130428018 763300669 /nfs/dbraw/zinc/30/06/69/763300669.db2.gz YXRYMQUQUXROAZ-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001100410914 763560267 /nfs/dbraw/zinc/56/02/67/763560267.db2.gz SYYXJBWGEQMKHF-PIMMBPRGSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H]([NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001100411857 763562386 /nfs/dbraw/zinc/56/23/86/763562386.db2.gz WTSFXIUJBMKHFJ-IYXRBSQSSA-N 1 3 324.469 0.432 20 0 DCADHO CCn1nncc1CNC1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100829770 763813924 /nfs/dbraw/zinc/81/39/24/763813924.db2.gz KPKCQJIIICJWIV-UHFFFAOYSA-N 1 3 322.457 0.624 20 0 DCADHO CCn1nncc1CNC1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100829770 763813928 /nfs/dbraw/zinc/81/39/28/763813928.db2.gz KPKCQJIIICJWIV-UHFFFAOYSA-N 1 3 322.457 0.624 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CCN(CCCO)C2)O1 ZINC001131682583 763934670 /nfs/dbraw/zinc/93/46/70/763934670.db2.gz QQLIQUDYJNWXHH-GDBMZVCRSA-N 1 3 313.442 0.012 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799593 764036389 /nfs/dbraw/zinc/03/63/89/764036389.db2.gz SMHBKFRRAWTFBW-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050562 768186298 /nfs/dbraw/zinc/18/62/98/768186298.db2.gz XWDLUGBERLDDOY-IOASZLSFSA-N 1 3 306.410 0.767 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001092050562 768186299 /nfs/dbraw/zinc/18/62/99/768186299.db2.gz XWDLUGBERLDDOY-IOASZLSFSA-N 1 3 306.410 0.767 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)CN1CCOCCO ZINC001132269303 764347746 /nfs/dbraw/zinc/34/77/46/764347746.db2.gz IKTJHVNSVABNRM-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132286040 764353388 /nfs/dbraw/zinc/35/33/88/764353388.db2.gz ABWXQWKDAGJOMU-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070517 764515130 /nfs/dbraw/zinc/51/51/30/764515130.db2.gz KUANJHOJLBCDJK-NFAWXSAZSA-N 1 3 312.458 0.003 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2cncn2C)C1 ZINC001132736911 764613944 /nfs/dbraw/zinc/61/39/44/764613944.db2.gz FYSMVUDOLKABNE-CQSZACIVSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2cncn2C)C1 ZINC001132736911 764613945 /nfs/dbraw/zinc/61/39/45/764613945.db2.gz FYSMVUDOLKABNE-CQSZACIVSA-N 1 3 307.442 0.748 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001132738426 764616533 /nfs/dbraw/zinc/61/65/33/764616533.db2.gz CMRANSAKLKGMAV-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001132738426 764616541 /nfs/dbraw/zinc/61/65/41/764616541.db2.gz CMRANSAKLKGMAV-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC2CC2)C1 ZINC001132743231 764620130 /nfs/dbraw/zinc/62/01/30/764620130.db2.gz ZEODHWSCGFPLEU-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC2CC2)C1 ZINC001132743231 764620138 /nfs/dbraw/zinc/62/01/38/764620138.db2.gz ZEODHWSCGFPLEU-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC(C1CC1)C1CC1 ZINC001133040363 764797630 /nfs/dbraw/zinc/79/76/30/764797630.db2.gz NGDACHNQICAYDF-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCC(CC)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051867 764802090 /nfs/dbraw/zinc/80/20/90/764802090.db2.gz SJUKCDJNHNWPSX-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@H]1CCCCN1C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290751 764909042 /nfs/dbraw/zinc/90/90/42/764909042.db2.gz AODJNDCAHOVSAZ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001133291464 764910479 /nfs/dbraw/zinc/91/04/79/764910479.db2.gz QQMROUUUUWOCIR-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294543 764911201 /nfs/dbraw/zinc/91/12/01/764911201.db2.gz MTYQTZOBRGWZBN-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCc1cccc(C(N)=O)c1)[NH+](C)C ZINC001133416036 764957118 /nfs/dbraw/zinc/95/71/18/764957118.db2.gz ZSQWEDHWEPNHLY-OAHLLOKOSA-N 1 3 320.437 0.578 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434514 764967670 /nfs/dbraw/zinc/96/76/70/764967670.db2.gz VJVIQKQKHBVEMD-ZIAGYGMSSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001103435154 765054852 /nfs/dbraw/zinc/05/48/52/765054852.db2.gz RVXJLFUBWWGUQY-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001103435154 765054857 /nfs/dbraw/zinc/05/48/57/765054857.db2.gz RVXJLFUBWWGUQY-BZUAXINKSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103550351 765081206 /nfs/dbraw/zinc/08/12/06/765081206.db2.gz LQEGUVHVOJMSQE-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001103550351 765081218 /nfs/dbraw/zinc/08/12/18/765081218.db2.gz LQEGUVHVOJMSQE-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCN[C@@H]1CCN(CC)C1=O)[NH+](CC)CC ZINC001133690555 765095711 /nfs/dbraw/zinc/09/57/11/765095711.db2.gz OQNIWRDOOJRNPV-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103718990 765111786 /nfs/dbraw/zinc/11/17/86/765111786.db2.gz MTGZDRXHLKECMJ-RBSFLKMASA-N 1 3 324.469 0.148 20 0 DCADHO CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103718990 765111789 /nfs/dbraw/zinc/11/17/89/765111789.db2.gz MTGZDRXHLKECMJ-RBSFLKMASA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCC[C@H](C)C1 ZINC001133819431 765149711 /nfs/dbraw/zinc/14/97/11/765149711.db2.gz BVXYAVUCPINFNB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCC[C@H](C)C1 ZINC001133819431 765149713 /nfs/dbraw/zinc/14/97/13/765149713.db2.gz BVXYAVUCPINFNB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN2CCC[C@@H]2C)n1 ZINC001133819496 765149748 /nfs/dbraw/zinc/14/97/48/765149748.db2.gz DPNPNMWSFJNFAR-LBPRGKRZSA-N 1 3 309.414 0.501 20 0 DCADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133823491 765152211 /nfs/dbraw/zinc/15/22/11/765152211.db2.gz HOTIUQBCOVMCOK-CYBMUJFWSA-N 1 3 319.471 0.001 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001133845360 765178925 /nfs/dbraw/zinc/17/89/25/765178925.db2.gz CJCZINGZBXPLQV-CYBMUJFWSA-N 1 3 312.458 0.196 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001133845360 765178929 /nfs/dbraw/zinc/17/89/29/765178929.db2.gz CJCZINGZBXPLQV-CYBMUJFWSA-N 1 3 312.458 0.196 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846033 765179702 /nfs/dbraw/zinc/17/97/02/765179702.db2.gz SBVGZHXPHMTNSO-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846033 765179711 /nfs/dbraw/zinc/17/97/11/765179711.db2.gz SBVGZHXPHMTNSO-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO COc1coc(CNCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1=O ZINC001133850087 765182788 /nfs/dbraw/zinc/18/27/88/765182788.db2.gz IULYINLFCARUQR-GFCCVEGCSA-N 1 3 323.393 0.196 20 0 DCADHO COc1coc(CNCCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1=O ZINC001133850087 765182796 /nfs/dbraw/zinc/18/27/96/765182796.db2.gz IULYINLFCARUQR-GFCCVEGCSA-N 1 3 323.393 0.196 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133867411 765192768 /nfs/dbraw/zinc/19/27/68/765192768.db2.gz UFRZVTIVLOUWMG-HUUCEWRRSA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCC(C)CC1 ZINC001133867411 765192774 /nfs/dbraw/zinc/19/27/74/765192774.db2.gz UFRZVTIVLOUWMG-HUUCEWRRSA-N 1 3 324.469 0.148 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133869892 765197945 /nfs/dbraw/zinc/19/79/45/765197945.db2.gz NHMBPITXQWRDMS-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133869892 765197944 /nfs/dbraw/zinc/19/79/44/765197944.db2.gz NHMBPITXQWRDMS-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O)N(C)C ZINC001133965777 765258561 /nfs/dbraw/zinc/25/85/61/765258561.db2.gz JPYJIKIULYJXCV-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001111908845 765423882 /nfs/dbraw/zinc/42/38/82/765423882.db2.gz USBIHNYVCVMIRK-VBQJREDUSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCNC1=O)C2 ZINC001111908845 765423888 /nfs/dbraw/zinc/42/38/88/765423888.db2.gz USBIHNYVCVMIRK-VBQJREDUSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]Cc1cncn1C ZINC001159155534 765494026 /nfs/dbraw/zinc/49/40/26/765494026.db2.gz PJWPFTZWBRZDER-CQSZACIVSA-N 1 3 313.421 0.696 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134613931 765591483 /nfs/dbraw/zinc/59/14/83/765591483.db2.gz YUHXHQYXBJKDLJ-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001115160011 765614556 /nfs/dbraw/zinc/61/45/56/765614556.db2.gz MVPHTZIBZKLNFI-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001115160011 765614561 /nfs/dbraw/zinc/61/45/61/765614561.db2.gz MVPHTZIBZKLNFI-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NCc1ccco1 ZINC001124866768 768318513 /nfs/dbraw/zinc/31/85/13/768318513.db2.gz KNFKWQKEYSKEEV-OCCSQVGLSA-N 1 3 322.409 0.084 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)C(C)C ZINC001135474321 765939680 /nfs/dbraw/zinc/93/96/80/765939680.db2.gz NEPOAGACHOTPGX-UONOGXRCSA-N 1 3 314.474 0.535 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H](C)C(=O)NC)C(C)C ZINC001135474125 765939987 /nfs/dbraw/zinc/93/99/87/765939987.db2.gz HPSCGBIFWMEKHN-STQMWFEESA-N 1 3 300.447 0.193 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC001117101396 765982634 /nfs/dbraw/zinc/98/26/34/765982634.db2.gz ZVXCWTUOKAAZJT-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001135976268 766197823 /nfs/dbraw/zinc/19/78/23/766197823.db2.gz IMKRQRXUBRTXFO-CHWSQXEVSA-N 1 3 310.446 0.530 20 0 DCADHO COC(=O)c1cc(N[C@@H](N)CCC[NH3+])c(N(C)C)cc1OC ZINC001170900651 766250521 /nfs/dbraw/zinc/25/05/21/766250521.db2.gz XKCALTFPCHFWOM-CQSZACIVSA-N 1 3 310.398 0.983 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(CCCF)C[C@@H]2O)CC1 ZINC001090543451 766305737 /nfs/dbraw/zinc/30/57/37/766305737.db2.gz MSQUUFBDVYDBKE-KBPBESRZSA-N 1 3 301.406 0.239 20 0 DCADHO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](O)C1 ZINC001090829602 766647329 /nfs/dbraw/zinc/64/73/29/766647329.db2.gz DHAGONPZVCPTIW-HZPDHXFCSA-N 1 3 305.422 0.933 20 0 DCADHO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](O)C1 ZINC001090829602 766647331 /nfs/dbraw/zinc/64/73/31/766647331.db2.gz DHAGONPZVCPTIW-HZPDHXFCSA-N 1 3 305.422 0.933 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001119933920 766865494 /nfs/dbraw/zinc/86/54/94/766865494.db2.gz XRUKMSOKLTYMEC-PBHICJAKSA-N 1 3 324.469 0.245 20 0 DCADHO Cc1cnc([C@@H](C)NCCCNC(=O)COCC[NH+](C)C)cn1 ZINC001171205068 767003186 /nfs/dbraw/zinc/00/31/86/767003186.db2.gz LAPQSBLRVRPLEO-CQSZACIVSA-N 1 3 323.441 0.520 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120430519 767008165 /nfs/dbraw/zinc/00/81/65/767008165.db2.gz LCFYXALYPSSOIF-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO O[C@@H](CNCCCc1nnc2n1CCCC2)C[NH+]1CCCC1 ZINC001120504292 767046421 /nfs/dbraw/zinc/04/64/21/767046421.db2.gz KIVKFIHWSBTBBO-AWEZNQCLSA-N 1 3 307.442 0.593 20 0 DCADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001120633485 767099538 /nfs/dbraw/zinc/09/95/38/767099538.db2.gz KUBARDHFYOXPDX-ILXRZTDVSA-N 1 3 312.458 0.745 20 0 DCADHO Cc1oncc1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091364523 767209659 /nfs/dbraw/zinc/20/96/59/767209659.db2.gz HQYDTHNZSXBKLM-JVWICGRDSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1oncc1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091364523 767209661 /nfs/dbraw/zinc/20/96/61/767209661.db2.gz HQYDTHNZSXBKLM-JVWICGRDSA-N 1 3 306.410 0.919 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H](C)CS(C)(=O)=O)N(C)C ZINC001160889688 767382616 /nfs/dbraw/zinc/38/26/16/767382616.db2.gz PCPOCRZSRSZTEH-CHWSQXEVSA-N 1 3 321.487 0.103 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCNCc2ccnn2C)CC1 ZINC001146356187 767441178 /nfs/dbraw/zinc/44/11/78/767441178.db2.gz OCADCAVTTKAKJZ-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCc1ccco1 ZINC001146710666 767509633 /nfs/dbraw/zinc/50/96/33/767509633.db2.gz KQLCOLROIHDPCQ-CYBMUJFWSA-N 1 3 324.425 0.332 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCc1ccco1 ZINC001146710666 767509634 /nfs/dbraw/zinc/50/96/34/767509634.db2.gz KQLCOLROIHDPCQ-CYBMUJFWSA-N 1 3 324.425 0.332 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146710264 767509849 /nfs/dbraw/zinc/50/98/49/767509849.db2.gz ILVLRYSMJFUJCV-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146710264 767509856 /nfs/dbraw/zinc/50/98/56/767509856.db2.gz ILVLRYSMJFUJCV-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]C[C@@H](C)O)C2)N(C)C ZINC001121727374 767628675 /nfs/dbraw/zinc/62/86/75/767628675.db2.gz AELQFWNVCAYCSB-KBMGIXFMSA-N 1 3 311.470 0.970 20 0 DCADHO CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2)N(C)C ZINC001121798352 767637370 /nfs/dbraw/zinc/63/73/70/767637370.db2.gz KCFNFAYXRIJLNW-SKMKRRGFSA-N 1 3 310.442 0.217 20 0 DCADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001147358955 767724545 /nfs/dbraw/zinc/72/45/45/767724545.db2.gz KBQARBRMFHGGLB-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCN[C@@H](CC)C(N)=O ZINC001147358955 767724549 /nfs/dbraw/zinc/72/45/49/767724549.db2.gz KBQARBRMFHGGLB-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO COCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725032 767831660 /nfs/dbraw/zinc/83/16/60/767831660.db2.gz QNGYAOPNDKOPOC-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO COCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725032 767831667 /nfs/dbraw/zinc/83/16/67/767831667.db2.gz QNGYAOPNDKOPOC-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO O=C1CC[C@H](CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)N1 ZINC001202819991 768410575 /nfs/dbraw/zinc/41/05/75/768410575.db2.gz AMKQYQQCCYXFFS-OWCLPIDISA-N 1 3 300.406 0.724 20 0 DCADHO O=C1CC[C@H](CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)N1 ZINC001202819991 768410578 /nfs/dbraw/zinc/41/05/78/768410578.db2.gz AMKQYQQCCYXFFS-OWCLPIDISA-N 1 3 300.406 0.724 20 0 DCADHO CCCCCCN(C)CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001202973116 768493893 /nfs/dbraw/zinc/49/38/93/768493893.db2.gz AXUPDCTZMARZMI-UHFFFAOYSA-N 1 3 312.458 0.564 20 0 DCADHO C[C@H](O)C[N@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219912 768596562 /nfs/dbraw/zinc/59/65/62/768596562.db2.gz QHWHHIYAKNNDOT-GJZGRUSLSA-N 1 3 309.454 0.847 20 0 DCADHO C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001161219912 768596566 /nfs/dbraw/zinc/59/65/66/768596566.db2.gz QHWHHIYAKNNDOT-GJZGRUSLSA-N 1 3 309.454 0.847 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)COC)CCCO1 ZINC001150546367 769120616 /nfs/dbraw/zinc/12/06/16/769120616.db2.gz DMGYUOOYUGQONI-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H](C)COC)CCCO1 ZINC001150546367 769120623 /nfs/dbraw/zinc/12/06/23/769120623.db2.gz DMGYUOOYUGQONI-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)cn2)CC1 ZINC001232360743 769309848 /nfs/dbraw/zinc/30/98/48/769309848.db2.gz NETFDSYRLILQII-HOTGVXAUSA-N 1 3 320.437 0.009 20 0 DCADHO CN1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)cn2)CC1 ZINC001232360743 769309858 /nfs/dbraw/zinc/30/98/58/769309858.db2.gz NETFDSYRLILQII-HOTGVXAUSA-N 1 3 320.437 0.009 20 0 DCADHO C[NH+](C)CCN1CCN([C@@H]2CCN(C3CC3)C(=O)C2)CCC1=O ZINC001172026668 769417979 /nfs/dbraw/zinc/41/79/79/769417979.db2.gz QLYDMFAIUHZDMP-OAHLLOKOSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001152136851 769487980 /nfs/dbraw/zinc/48/79/80/769487980.db2.gz GYADVAURXOUXTR-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001152137323 769488293 /nfs/dbraw/zinc/48/82/93/769488293.db2.gz LHGGMHFFUUYMFT-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO COC(=O)N1CCC([NH2+]CCN2CCN(C(C)C)CC2)CC1 ZINC001172732165 769498540 /nfs/dbraw/zinc/49/85/40/769498540.db2.gz JNMKTNSSKADISG-UHFFFAOYSA-N 1 3 312.458 0.833 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446271 769560159 /nfs/dbraw/zinc/56/01/59/769560159.db2.gz WBCNWFLSHRLZIO-OLZOCXBDSA-N 1 3 300.447 0.336 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@H+](CCCN)C(C)C)C[C@@H]1C(=O)OC ZINC001173566488 769657520 /nfs/dbraw/zinc/65/75/20/769657520.db2.gz LSBRTPJNWQJYGH-XYYAHUGASA-N 1 3 300.399 0.786 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@@H+](CCCN)C(C)C)C[C@@H]1C(=O)OC ZINC001173566488 769657525 /nfs/dbraw/zinc/65/75/25/769657525.db2.gz LSBRTPJNWQJYGH-XYYAHUGASA-N 1 3 300.399 0.786 20 0 DCADHO CCOC(=O)[C@H]1CC[C@H](CN2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001235050412 769750353 /nfs/dbraw/zinc/75/03/53/769750353.db2.gz CYXDUQFHQLTLOG-BFYDXBDKSA-N 1 3 309.454 0.993 20 0 DCADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCCCCO)CC[C@@H]21 ZINC001235595205 769906195 /nfs/dbraw/zinc/90/61/95/769906195.db2.gz CFGRWSAVNPYWFW-PMPSAXMXSA-N 1 3 307.442 0.835 20 0 DCADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCCCCO)CC[C@@H]21 ZINC001235595205 769906201 /nfs/dbraw/zinc/90/62/01/769906201.db2.gz CFGRWSAVNPYWFW-PMPSAXMXSA-N 1 3 307.442 0.835 20 0 DCADHO [NH3+]CCCCN1C[C@H]2C[C@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001235644020 769922433 /nfs/dbraw/zinc/92/24/33/769922433.db2.gz LYICRBOKBYMWFH-QLFBSQMISA-N 1 3 307.394 0.724 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](O)COC ZINC001175766743 769959731 /nfs/dbraw/zinc/95/97/31/769959731.db2.gz AHNKSMILQXYLAG-HUUCEWRRSA-N 1 3 317.474 0.600 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3ccn(C)n3)C[C@H]1C2 ZINC001236021209 769967642 /nfs/dbraw/zinc/96/76/42/769967642.db2.gz DZBQLBVZJDYGOC-UJDVCPFMSA-N 1 3 304.394 0.251 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(F)cc(CN(C)C)c1 ZINC001236201806 769984499 /nfs/dbraw/zinc/98/44/99/769984499.db2.gz PCCGDMDTLKTBCC-GJZGRUSLSA-N 1 3 309.385 0.962 20 0 DCADHO [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc([O-])cc(F)c1 ZINC001236311404 769995097 /nfs/dbraw/zinc/99/50/97/769995097.db2.gz JWDXUWYNHOAXKV-UHFFFAOYSA-N 1 3 312.389 0.147 20 0 DCADHO COc1cc(CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)sn1 ZINC001176072390 770011542 /nfs/dbraw/zinc/01/15/42/770011542.db2.gz RWGLYRVWNRUFDC-NSHDSACASA-N 1 3 312.439 0.699 20 0 DCADHO COc1cc(CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)sn1 ZINC001176072390 770011555 /nfs/dbraw/zinc/01/15/55/770011555.db2.gz RWGLYRVWNRUFDC-NSHDSACASA-N 1 3 312.439 0.699 20 0 DCADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccn1 ZINC001238244246 770110252 /nfs/dbraw/zinc/11/02/52/770110252.db2.gz YXGPEEIEEBAPEQ-GFCCVEGCSA-N 1 3 310.423 0.234 20 0 DCADHO NCCS(=O)(=O)NCC1(Cc2ccccc2)CC[NH2+]CC1 ZINC001238865705 770138306 /nfs/dbraw/zinc/13/83/06/770138306.db2.gz XBWYDRCPDGAMRM-UHFFFAOYSA-N 1 3 311.451 0.477 20 0 DCADHO COc1cccc(CS(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238878533 770140222 /nfs/dbraw/zinc/14/02/22/770140222.db2.gz HQFWIFYDXUAFQT-UHFFFAOYSA-N 1 3 315.439 0.443 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCNCc1nccn1C ZINC001176844849 770214119 /nfs/dbraw/zinc/21/41/19/770214119.db2.gz OCJJJMCIHRXSJD-OKILXGFUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCNCc1nccn1C ZINC001176844849 770214130 /nfs/dbraw/zinc/21/41/30/770214130.db2.gz OCJJJMCIHRXSJD-OKILXGFUSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(CCNC(=O)C1CC1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005171 770365996 /nfs/dbraw/zinc/36/59/96/770365996.db2.gz HPEKVWCYPFNYMU-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO c1nc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc2c1CNCC2 ZINC001155592440 770558358 /nfs/dbraw/zinc/55/83/58/770558358.db2.gz PDYITVZEGOSKBJ-WBMJQRKESA-N 1 3 303.410 0.693 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001178990072 770922143 /nfs/dbraw/zinc/92/21/43/770922143.db2.gz GJVFOWKHEQADCG-MELADBBJSA-N 1 3 312.458 0.432 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179304108 770983177 /nfs/dbraw/zinc/98/31/77/770983177.db2.gz UHQAXLPDMZQZFF-CBBWQLFWSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001179749100 771010387 /nfs/dbraw/zinc/01/03/87/771010387.db2.gz XMBKFIQGBWMABP-GJZGRUSLSA-N 1 3 307.442 0.804 20 0 DCADHO CCCCCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001179748914 771010782 /nfs/dbraw/zinc/01/07/82/771010782.db2.gz PNIRABZZRCZBKZ-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C ZINC001179766210 771014444 /nfs/dbraw/zinc/01/44/44/771014444.db2.gz OIDIQLPTYYCWEW-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)[C@@H]1C ZINC001179987402 771043662 /nfs/dbraw/zinc/04/36/62/771043662.db2.gz UZWHQRAWJMSEPM-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124679 771066587 /nfs/dbraw/zinc/06/65/87/771066587.db2.gz MHARHDRODRLFMS-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124679 771066590 /nfs/dbraw/zinc/06/65/90/771066590.db2.gz MHARHDRODRLFMS-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001180147841 771070952 /nfs/dbraw/zinc/07/09/52/771070952.db2.gz CYXCFKVICUHUSJ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO COc1cnccc1[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CC1 ZINC001157082032 771529717 /nfs/dbraw/zinc/52/97/17/771529717.db2.gz GDOGJAKWNKXOBS-HOTGVXAUSA-N 1 3 318.421 0.984 20 0 DCADHO CON(C)C(=O)c1cc(C)cnc1NC(=N)NCCCC[NH3+] ZINC001157099251 771534015 /nfs/dbraw/zinc/53/40/15/771534015.db2.gz MUZAENHAJDLXRP-UHFFFAOYSA-N 1 3 308.386 0.699 20 0 DCADHO CC(C)[C@H](C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1)N(C)C ZINC001183361105 771639235 /nfs/dbraw/zinc/63/92/35/771639235.db2.gz ZUPGBZNPZWHCQH-GOEBONIOSA-N 1 3 321.469 0.989 20 0 DCADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001157716623 771657640 /nfs/dbraw/zinc/65/76/40/771657640.db2.gz PWOIHHULTMTXML-FZMZJTMJSA-N 1 3 303.378 0.159 20 0 DCADHO C[NH2+][C@H](C(=O)N(C)C[C@H]1CNCCO1)[C@@H](C)OC(C)(C)C ZINC001157716474 771657875 /nfs/dbraw/zinc/65/78/75/771657875.db2.gz NZAYCKJBWDLPPZ-UPJWGTAASA-N 1 3 301.431 0.225 20 0 DCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)c1csc([C@H]2CCCN2)n1 ZINC001157721414 771658580 /nfs/dbraw/zinc/65/85/80/771658580.db2.gz XOVFJJFJMIAFGR-GHMZBOCLSA-N 1 3 310.423 0.628 20 0 DCADHO N[C@H](Cc1cccc(O)c1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157741684 771661755 /nfs/dbraw/zinc/66/17/55/771661755.db2.gz ZWKVEBXCMVZHND-GDBMZVCRSA-N 1 3 309.385 0.942 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCNC[C@H]1c1ccccc1 ZINC001157969755 771704708 /nfs/dbraw/zinc/70/47/08/771704708.db2.gz NNJVAEMZZDUCKI-KBPBESRZSA-N 1 3 308.451 0.179 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001158380262 771765570 /nfs/dbraw/zinc/76/55/70/771765570.db2.gz NZANIXZBNWSIEX-UKRRQHHQSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001158380262 771765575 /nfs/dbraw/zinc/76/55/75/771765575.db2.gz NZANIXZBNWSIEX-UKRRQHHQSA-N 1 3 305.426 0.721 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001158381122 771766175 /nfs/dbraw/zinc/76/61/75/771766175.db2.gz YHCACCYHTQBPIN-UKRRQHHQSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001158381122 771766178 /nfs/dbraw/zinc/76/61/78/771766178.db2.gz YHCACCYHTQBPIN-UKRRQHHQSA-N 1 3 307.442 0.839 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CCC[C@@H]3[NH2+]C[C@H]32)cc1 ZINC001158422328 771771998 /nfs/dbraw/zinc/77/19/98/771771998.db2.gz KDYJSYANBHWJJT-HRCADAONSA-N 1 3 303.406 0.918 20 0 DCADHO NCc1ccc(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cn1 ZINC001158546794 771788038 /nfs/dbraw/zinc/78/80/38/771788038.db2.gz MDJYKNTWPYUSFP-XNRPHZJLSA-N 1 3 302.378 0.133 20 0 DCADHO C[NH+](C)C1(CC(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CCCC1 ZINC001184628525 771808325 /nfs/dbraw/zinc/80/83/25/771808325.db2.gz LLABMODNYYUNRX-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001184859187 771838896 /nfs/dbraw/zinc/83/88/96/771838896.db2.gz XMIFEYBHNOARDL-UPJWGTAASA-N 1 3 317.380 0.695 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446613 771915083 /nfs/dbraw/zinc/91/50/83/771915083.db2.gz QIEQEFGDUBAKNC-UKRRQHHQSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185716550 771948548 /nfs/dbraw/zinc/94/85/48/771948548.db2.gz YNVQETVZLBFYDV-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)CC(C)(C)C ZINC001185731597 771950793 /nfs/dbraw/zinc/95/07/93/771950793.db2.gz VISTVSHFPPLLTP-CQSZACIVSA-N 1 3 322.457 0.447 20 0 DCADHO CCn1cc(CC[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cn1 ZINC001159926043 771978331 /nfs/dbraw/zinc/97/83/31/771978331.db2.gz YVXPVEIQOQTYNA-MRXNPFEDSA-N 1 3 321.469 0.882 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC001159931225 771979548 /nfs/dbraw/zinc/97/95/48/771979548.db2.gz BEPXVJTXLFZVMW-CHWSQXEVSA-N 1 3 319.396 0.847 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C1CC1 ZINC001159932406 771980463 /nfs/dbraw/zinc/98/04/63/771980463.db2.gz QLSLDAMLSTZEKN-MRXNPFEDSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001160420992 772034807 /nfs/dbraw/zinc/03/48/07/772034807.db2.gz NROFUGOKFFMQFT-HNNXBMFYSA-N 1 3 312.458 0.289 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H]1COCc1ccccc1 ZINC001160525795 772058310 /nfs/dbraw/zinc/05/83/10/772058310.db2.gz FENWKTTVHNCZEM-CVEARBPZSA-N 1 3 315.417 0.613 20 0 DCADHO O=C(N1CCO[C@H](c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160530018 772059013 /nfs/dbraw/zinc/05/90/13/772059013.db2.gz DPHWDDKIURDBKI-SOLBZPMBSA-N 1 3 315.417 0.786 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001160545815 772062729 /nfs/dbraw/zinc/06/27/29/772062729.db2.gz UYVHDWOBSFJQIG-KBPBESRZSA-N 1 3 308.451 0.634 20 0 DCADHO COc1ccccc1CCN(C)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160596348 772075331 /nfs/dbraw/zinc/07/53/31/772075331.db2.gz GUTBJXLNRGAHER-CRAIPNDOSA-N 1 3 317.433 0.895 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160637898 772082148 /nfs/dbraw/zinc/08/21/48/772082148.db2.gz QESGVJUUDZLFPF-KBPBESRZSA-N 1 3 308.430 0.501 20 0 DCADHO N[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)C12CC3CC(CC(C3)C1)C2 ZINC001160643663 772084644 /nfs/dbraw/zinc/08/46/44/772084644.db2.gz LULYYCIMCBZCDL-MGZIPMFSSA-N 1 3 307.438 0.716 20 0 DCADHO COC(=O)CN(Cc1ccccc1)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001160657017 772089651 /nfs/dbraw/zinc/08/96/51/772089651.db2.gz BVYNWGTVONVLDD-INIZCTEOSA-N 1 3 319.405 0.515 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160766208 772108969 /nfs/dbraw/zinc/10/89/69/772108969.db2.gz MPTJSGOGUNZBDP-VFZGUZRASA-N 1 3 319.327 0.116 20 0 DCADHO Cc1cncc(CN[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)c1 ZINC001187115731 772133387 /nfs/dbraw/zinc/13/33/87/772133387.db2.gz PUVYZNDDPFSOFJ-MRXNPFEDSA-N 1 3 320.437 0.659 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122509 772138572 /nfs/dbraw/zinc/13/85/72/772138572.db2.gz VJKTZAGRQCLWPX-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(N1CCOC[C@H]1c1cccnc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160950458 772142108 /nfs/dbraw/zinc/14/21/08/772142108.db2.gz DEWGKZVJWPFIDM-HLLBOEOZSA-N 1 3 316.405 0.181 20 0 DCADHO N[C@H](C(=O)N1C[C@H]([NH3+])CC(F)(F)C1)C1Cc2ccccc2C1 ZINC001160972846 772145084 /nfs/dbraw/zinc/14/50/84/772145084.db2.gz SZSPXZZZZZLCFG-KGLIPLIRSA-N 1 3 309.360 0.924 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001161049285 772158392 /nfs/dbraw/zinc/15/83/92/772158392.db2.gz FJCBKBJQIJWEPK-GUTXKFCHSA-N 1 3 312.458 0.417 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001161049285 772158394 /nfs/dbraw/zinc/15/83/94/772158394.db2.gz FJCBKBJQIJWEPK-GUTXKFCHSA-N 1 3 312.458 0.417 20 0 DCADHO CN(CCN(C)C(=O)[C@]1(N)CCC[NH2+]C1)Cc1ccccc1 ZINC001161161702 772179228 /nfs/dbraw/zinc/17/92/28/772179228.db2.gz XUJRJNZLWOJAGI-KRWDZBQOSA-N 1 3 304.438 0.658 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161206460 772184590 /nfs/dbraw/zinc/18/45/90/772184590.db2.gz YQPTYMRPRZVSHX-CQSZACIVSA-N 1 3 311.426 0.505 20 0 DCADHO C[NH2+][C@@H](COCc1ccccc1)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161229503 772187209 /nfs/dbraw/zinc/18/72/09/772187209.db2.gz LEOKZSCKFIZRNR-DZKIICNBSA-N 1 3 305.422 1.000 20 0 DCADHO CN(C)CCN(C(=O)c1cc(N)cc(N)c1)[C@H]1CCC[NH2+]C1 ZINC001161449806 772225163 /nfs/dbraw/zinc/22/51/63/772225163.db2.gz SRDZMECSZVYPIR-HNNXBMFYSA-N 1 3 305.426 0.607 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001187818379 772229200 /nfs/dbraw/zinc/22/92/00/772229200.db2.gz OFZRUTPRRSEWDQ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001187818379 772229203 /nfs/dbraw/zinc/22/92/03/772229203.db2.gz OFZRUTPRRSEWDQ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC1CCCC1)CC2 ZINC001161476833 772230265 /nfs/dbraw/zinc/23/02/65/772230265.db2.gz FCSPZHNFBHWPIR-JJRVBVJISA-N 1 3 323.437 0.648 20 0 DCADHO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835572 772231948 /nfs/dbraw/zinc/23/19/48/772231948.db2.gz YQXWCVPWQCUNAI-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001188113083 772267844 /nfs/dbraw/zinc/26/78/44/772267844.db2.gz VLHKDUAFFZZJBL-RRFJBIMHSA-N 1 3 315.433 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001188113083 772267847 /nfs/dbraw/zinc/26/78/47/772267847.db2.gz VLHKDUAFFZZJBL-RRFJBIMHSA-N 1 3 315.433 0.581 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001188158251 772277391 /nfs/dbraw/zinc/27/73/91/772277391.db2.gz JNORHYQSPFIYBS-HUUCEWRRSA-N 1 3 324.469 0.526 20 0 DCADHO CC1CC(C[NH2+]CCCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001162871946 772427092 /nfs/dbraw/zinc/42/70/92/772427092.db2.gz BOJPLGDYMZHHGQ-KUNBBXKYSA-N 1 3 321.465 0.992 20 0 DCADHO Cc1nc(N[C@@H]2COCCC23C[NH2+]C3)cc(N2CCOCC2)n1 ZINC001163064365 772452114 /nfs/dbraw/zinc/45/21/14/772452114.db2.gz BSEWKYCRKNINTE-CYBMUJFWSA-N 1 3 319.409 0.412 20 0 DCADHO c1cc2c(nc1NCC[C@H]1CCOC13C[NH2+]C3)OCCNC2 ZINC001163082167 772456963 /nfs/dbraw/zinc/45/69/63/772456963.db2.gz PTLUPQNHFCNVQO-ZDUSSCGKSA-N 1 3 304.394 0.744 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCC(F)F)C1 ZINC001189390999 772463953 /nfs/dbraw/zinc/46/39/53/772463953.db2.gz VGHVOVBWHDTYII-CHWSQXEVSA-N 1 3 319.396 0.895 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCC(F)F)C1 ZINC001189390999 772463955 /nfs/dbraw/zinc/46/39/55/772463955.db2.gz VGHVOVBWHDTYII-CHWSQXEVSA-N 1 3 319.396 0.895 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574665 772683281 /nfs/dbraw/zinc/68/32/81/772683281.db2.gz VURFFKGRVYAINS-KBPBESRZSA-N 1 3 322.457 0.624 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574665 772683283 /nfs/dbraw/zinc/68/32/83/772683283.db2.gz VURFFKGRVYAINS-KBPBESRZSA-N 1 3 322.457 0.624 20 0 DCADHO CC(C)(C)N1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001165091727 772694522 /nfs/dbraw/zinc/69/45/22/772694522.db2.gz YXQIBRCHDULSCN-UHFFFAOYSA-N 1 3 304.442 0.807 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634943 772832769 /nfs/dbraw/zinc/83/27/69/772832769.db2.gz ZFOXLRFANLTZQM-ZDUSSCGKSA-N 1 3 307.442 0.809 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001166677891 772839223 /nfs/dbraw/zinc/83/92/23/772839223.db2.gz POMIQAPYYKORMX-GFCCVEGCSA-N 1 3 323.397 0.051 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678859 772839695 /nfs/dbraw/zinc/83/96/95/772839695.db2.gz WXCJVIDECRZMGU-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166691078 772841154 /nfs/dbraw/zinc/84/11/54/772841154.db2.gz KHGGYLAIDWUKKC-CMPLNLGQSA-N 1 3 311.455 0.640 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166691078 772841157 /nfs/dbraw/zinc/84/11/57/772841157.db2.gz KHGGYLAIDWUKKC-CMPLNLGQSA-N 1 3 311.455 0.640 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001166764875 772857000 /nfs/dbraw/zinc/85/70/00/772857000.db2.gz LSFQHAAFBVMVRL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCOC)C1)N(C)C ZINC001192386142 772913308 /nfs/dbraw/zinc/91/33/08/772913308.db2.gz OKGNFDQXFAIWGU-GJZGRUSLSA-N 1 3 315.458 0.522 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCOC)C1)N(C)C ZINC001192386142 772913311 /nfs/dbraw/zinc/91/33/11/772913311.db2.gz OKGNFDQXFAIWGU-GJZGRUSLSA-N 1 3 315.458 0.522 20 0 DCADHO NC(=[NH2+])NCCCCc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001204890874 772967832 /nfs/dbraw/zinc/96/78/32/772967832.db2.gz XSDSTOFKNBMCJH-UHFFFAOYSA-N 1 3 315.381 0.583 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+]CCOCCO)CC1)N(C)C ZINC001205516225 772997452 /nfs/dbraw/zinc/99/74/52/772997452.db2.gz UAMROFPTQLGXPP-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001193278374 773037052 /nfs/dbraw/zinc/03/70/52/773037052.db2.gz HBAKJSQUBZJFCI-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC001193278374 773037054 /nfs/dbraw/zinc/03/70/54/773037054.db2.gz HBAKJSQUBZJFCI-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1O ZINC001193456878 773072190 /nfs/dbraw/zinc/07/21/90/773072190.db2.gz YGYMAARWTQSZOI-RRFJBIMHSA-N 1 3 317.449 0.874 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1O ZINC001193456878 773072192 /nfs/dbraw/zinc/07/21/92/773072192.db2.gz YGYMAARWTQSZOI-RRFJBIMHSA-N 1 3 317.449 0.874 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001207688861 773271323 /nfs/dbraw/zinc/27/13/23/773271323.db2.gz SYWOKEBRUUOOHC-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014035 773372904 /nfs/dbraw/zinc/37/29/04/773372904.db2.gz LNVYFQSEMAHIEP-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014035 773372909 /nfs/dbraw/zinc/37/29/09/773372909.db2.gz LNVYFQSEMAHIEP-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328591 773433801 /nfs/dbraw/zinc/43/38/01/773433801.db2.gz GDCGCZRGZYGZFX-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335578 773436925 /nfs/dbraw/zinc/43/69/25/773436925.db2.gz WAFOKCWAMUOENA-GDBMZVCRSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340978 773438072 /nfs/dbraw/zinc/43/80/72/773438072.db2.gz RZOWKTDEPKRQQK-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCOCCOC)C1)N(C)C ZINC001208414547 773455434 /nfs/dbraw/zinc/45/54/34/773455434.db2.gz SIIVYCOKFHFALI-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001208454042 773466610 /nfs/dbraw/zinc/46/66/10/773466610.db2.gz RJCZRLKMFNWYJT-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(N)=O ZINC001208769275 773527339 /nfs/dbraw/zinc/52/73/39/773527339.db2.gz JMCYWFJQSPSXDB-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209279367 773583087 /nfs/dbraw/zinc/58/30/87/773583087.db2.gz WWBPXQFFUKYQLD-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304177 773588229 /nfs/dbraw/zinc/58/82/29/773588229.db2.gz NYNYDWCHRBFRCU-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1C[C@@H]2C[N@@H+](CC3=C4CCOC(=O)C4=CN[C@@H]3C)C[C@@H]2C1 ZINC001209347523 773597614 /nfs/dbraw/zinc/59/76/14/773597614.db2.gz UBKLBJGHULNLKN-MCIONIFRSA-N 1 3 317.433 0.989 20 0 DCADHO CCN1C[C@@H]2C[N@H+](CC3=C4CCOC(=O)C4=CN[C@@H]3C)C[C@@H]2C1 ZINC001209347523 773597617 /nfs/dbraw/zinc/59/76/17/773597617.db2.gz UBKLBJGHULNLKN-MCIONIFRSA-N 1 3 317.433 0.989 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408020 773601911 /nfs/dbraw/zinc/60/19/11/773601911.db2.gz IGYXJTRITYYZKR-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)c1nc(CN[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001209443750 773604169 /nfs/dbraw/zinc/60/41/69/773604169.db2.gz ARDOWPDEJYPMOB-ZDUSSCGKSA-N 1 3 322.457 0.960 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209444723 773605322 /nfs/dbraw/zinc/60/53/22/773605322.db2.gz IDHHRQUVHCGPPJ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209661632 773631454 /nfs/dbraw/zinc/63/14/54/773631454.db2.gz YFWWALCTWFNWNA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001209689645 773634465 /nfs/dbraw/zinc/63/44/65/773634465.db2.gz LLYDBKVQJJWEJT-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1C[C@H]2CC[N@H+](Cc3cnccc3N)CC[C@H]2S1(=O)=O ZINC001209725380 773640147 /nfs/dbraw/zinc/64/01/47/773640147.db2.gz JJWDDCUBHIQKLK-IUODEOHRSA-N 1 3 324.450 0.740 20 0 DCADHO CCN1C[C@H]2CC[N@@H+](Cc3cnccc3N)CC[C@H]2S1(=O)=O ZINC001209725380 773640151 /nfs/dbraw/zinc/64/01/51/773640151.db2.gz JJWDDCUBHIQKLK-IUODEOHRSA-N 1 3 324.450 0.740 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951873 773662135 /nfs/dbraw/zinc/66/21/35/773662135.db2.gz OFUFLYPLJPERNS-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCN(C[C@H]2CCc3ncnn32)CC1 ZINC001197048300 773682263 /nfs/dbraw/zinc/68/22/63/773682263.db2.gz DBXAFKRONIUDBZ-CQSZACIVSA-N 1 3 320.441 0.251 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001210217445 773686032 /nfs/dbraw/zinc/68/60/32/773686032.db2.gz IHXHWJNQIOMGDT-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001210218924 773687460 /nfs/dbraw/zinc/68/74/60/773687460.db2.gz RGSSECWQDTYLET-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)C)C2)CC1 ZINC001210283862 773695063 /nfs/dbraw/zinc/69/50/63/773695063.db2.gz SCMYVKLPZUHJEK-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001210493398 773713366 /nfs/dbraw/zinc/71/33/66/773713366.db2.gz KXJRBTSJDGHUTP-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001210493398 773713368 /nfs/dbraw/zinc/71/33/68/773713368.db2.gz KXJRBTSJDGHUTP-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001210494324 773713913 /nfs/dbraw/zinc/71/39/13/773713913.db2.gz USWAPSOALRJAND-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001210494324 773713917 /nfs/dbraw/zinc/71/39/17/773713917.db2.gz USWAPSOALRJAND-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)cn1 ZINC001210677423 773730051 /nfs/dbraw/zinc/73/00/51/773730051.db2.gz ODVDLIMZVSIZDA-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001210782379 773736709 /nfs/dbraw/zinc/73/67/09/773736709.db2.gz MGVJKTSXXAEFPO-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001210782379 773736711 /nfs/dbraw/zinc/73/67/11/773736711.db2.gz MGVJKTSXXAEFPO-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NCC1CCC1 ZINC001152339715 773753043 /nfs/dbraw/zinc/75/30/43/773753043.db2.gz AAYWPCKDPMGHOF-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001211063936 773764797 /nfs/dbraw/zinc/76/47/97/773764797.db2.gz DQHOYGOHILQGDT-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001211063936 773764801 /nfs/dbraw/zinc/76/48/01/773764801.db2.gz DQHOYGOHILQGDT-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001211125498 773773432 /nfs/dbraw/zinc/77/34/32/773773432.db2.gz GGRDFRGHXHPPCL-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211228564 773783590 /nfs/dbraw/zinc/78/35/90/773783590.db2.gz CTJGUPYWSMFOOV-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](CC)OC)C[C@H]1O ZINC001198038493 773849143 /nfs/dbraw/zinc/84/91/43/773849143.db2.gz TXXCQYKWEBYAHV-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@@H](CC)OC)C[C@H]1O ZINC001198038493 773849146 /nfs/dbraw/zinc/84/91/46/773849146.db2.gz TXXCQYKWEBYAHV-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO COCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213718897 773880320 /nfs/dbraw/zinc/88/03/20/773880320.db2.gz FNRJMXDAHLKYHT-RBSFLKMASA-N 1 3 313.442 0.180 20 0 DCADHO COCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213718897 773880328 /nfs/dbraw/zinc/88/03/28/773880328.db2.gz FNRJMXDAHLKYHT-RBSFLKMASA-N 1 3 313.442 0.180 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001215989559 774097533 /nfs/dbraw/zinc/09/75/33/774097533.db2.gz DVRBDBICGCWAHE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835713 774141647 /nfs/dbraw/zinc/14/16/47/774141647.db2.gz CVNDOLSAWOHJJN-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788470 774199130 /nfs/dbraw/zinc/19/91/30/774199130.db2.gz QZLHZOCWAINSBJ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO N[C@H](C(=O)Nc1cccnc1-n1cccn1)C1CC[NH2+]CC1 ZINC001218501245 774229634 /nfs/dbraw/zinc/22/96/34/774229634.db2.gz HCGVZDJWRCEYDS-ZDUSSCGKSA-N 1 3 300.366 0.533 20 0 DCADHO CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218512740 774232934 /nfs/dbraw/zinc/23/29/34/774232934.db2.gz RSBJNLVRMUCQOK-LLVKDONJSA-N 1 3 309.370 0.160 20 0 DCADHO Cc1nc2sccc2c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001218518952 774234897 /nfs/dbraw/zinc/23/48/97/774234897.db2.gz WYIFJDJDOHMCBR-JTQLQIEISA-N 1 3 303.391 0.747 20 0 DCADHO Cc1[nH]nc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1Br ZINC001218526049 774236906 /nfs/dbraw/zinc/23/69/06/774236906.db2.gz OFPSFKXZHMGYKP-SSDOTTSWSA-N 1 3 314.187 0.228 20 0 DCADHO Cc1sc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(C(N)=O)c1C ZINC001218547452 774243683 /nfs/dbraw/zinc/24/36/83/774243683.db2.gz HKGWDKCBCQWORF-LLVKDONJSA-N 1 3 310.423 0.729 20 0 DCADHO COCCCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)c1ncccc1N ZINC001218560959 774247864 /nfs/dbraw/zinc/24/78/64/774247864.db2.gz NIYQBLYTANWGTO-AWEZNQCLSA-N 1 3 321.425 0.360 20 0 DCADHO Cn1nc(Br)cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218583423 774256564 /nfs/dbraw/zinc/25/65/64/774256564.db2.gz TZOVPFQROKEMJJ-SNVBAGLBSA-N 1 3 316.203 0.448 20 0 DCADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2ncnc3c2cnn3-c2ccccc2)C1 ZINC001218610729 774263194 /nfs/dbraw/zinc/26/31/94/774263194.db2.gz XKZGAYWGVPSTGU-MFKMUULPSA-N 1 3 323.360 0.443 20 0 DCADHO O=C(Nc1cnn(C2C[NH2+]C2)c1)c1cc2c(s1)CNCC2 ZINC001218641097 774270365 /nfs/dbraw/zinc/27/03/65/774270365.db2.gz AIKKGNWVRFEGHL-UHFFFAOYSA-N 1 3 303.391 0.987 20 0 DCADHO O=C(Nc1c(Cl)cnnc1Cl)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218651841 774273014 /nfs/dbraw/zinc/27/30/14/774273014.db2.gz FETMHQHVOHWEKL-JMCQJSRRSA-N 1 3 316.192 0.921 20 0 DCADHO Cc1nnc2cc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)ccn12 ZINC001218699606 774282990 /nfs/dbraw/zinc/28/29/90/774282990.db2.gz MZGWUVHWIMUANE-IAQYHMDHSA-N 1 3 300.366 0.175 20 0 DCADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218714417 774286464 /nfs/dbraw/zinc/28/64/64/774286464.db2.gz YKRVCJLWPBEXAR-GMTAPVOTSA-N 1 3 322.365 0.436 20 0 DCADHO CCOC(=O)c1c(NC(=O)[C@H]2C[NH2+]CC23CNC3)ccn1CC ZINC001218719280 774288587 /nfs/dbraw/zinc/28/85/87/774288587.db2.gz YMMDOYATTWQZBW-LLVKDONJSA-N 1 3 320.393 0.432 20 0 DCADHO CNC(=O)c1cccnc1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218763770 774299861 /nfs/dbraw/zinc/29/98/61/774299861.db2.gz DRJKPXPIQQLQDD-ZDUSSCGKSA-N 1 3 321.425 0.875 20 0 DCADHO COC(=O)c1ccc(OC)nc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218790434 774303124 /nfs/dbraw/zinc/30/31/24/774303124.db2.gz IXDLAWKLDSKSSH-JTQLQIEISA-N 1 3 310.354 0.272 20 0 DCADHO COC(=O)c1cc(OC)ccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218818189 774310761 /nfs/dbraw/zinc/31/07/61/774310761.db2.gz QTPANTXRMKBNDW-GFCCVEGCSA-N 1 3 319.361 0.229 20 0 DCADHO N[C@@H](C(=O)Nc1ccc(-n2ccnn2)cc1)C1CC[NH2+]CC1 ZINC001218821392 774311971 /nfs/dbraw/zinc/31/19/71/774311971.db2.gz AQCCFIGYXPIABE-CQSZACIVSA-N 1 3 300.366 0.533 20 0 DCADHO O=C(Nc1ccc(Cn2ccnc2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218847500 774313891 /nfs/dbraw/zinc/31/38/91/774313891.db2.gz GWXBTGPITFHTFE-OAHLLOKOSA-N 1 3 311.389 0.679 20 0 DCADHO CN1CCN(c2ccc(F)cc2NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001218862119 774316464 /nfs/dbraw/zinc/31/64/64/774316464.db2.gz QUXUZYFCLRLWEP-CYBMUJFWSA-N 1 3 323.416 0.582 20 0 DCADHO NC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc1Cl ZINC001218951541 774334469 /nfs/dbraw/zinc/33/44/69/774334469.db2.gz KAPKPWUPCISLSS-SNVBAGLBSA-N 1 3 308.769 0.186 20 0 DCADHO O=C(Nc1ccc(-n2ccccc2=O)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219016850 774347781 /nfs/dbraw/zinc/34/77/81/774347781.db2.gz ORQRROCEHWQGCC-HNNXBMFYSA-N 1 3 324.384 0.585 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219028302 774350545 /nfs/dbraw/zinc/35/05/45/774350545.db2.gz YYOHYQMXZNPCDZ-INIZCTEOSA-N 1 3 316.361 0.616 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1CCCO[C@H](CNCCF)C1)C1CC1 ZINC001200688463 774387783 /nfs/dbraw/zinc/38/77/83/774387783.db2.gz QBVFRDRYQSJKLF-ZIAGYGMSSA-N 1 3 301.406 0.503 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]CCOCCO)CC1)C1CCC1 ZINC001201065885 774441835 /nfs/dbraw/zinc/44/18/35/774441835.db2.gz BFFMGDBBYWFROG-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCO[C@H](CNCCF)C2)CC[N@@H+]1C ZINC001201245564 774470676 /nfs/dbraw/zinc/47/06/76/774470676.db2.gz JCFNNPRMIIRBNJ-SOUVJXGZSA-N 1 3 315.433 0.893 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCO[C@H](CNCCF)C2)CC[N@H+]1C ZINC001201245564 774470682 /nfs/dbraw/zinc/47/06/82/774470682.db2.gz JCFNNPRMIIRBNJ-SOUVJXGZSA-N 1 3 315.433 0.893 20 0 DCADHO O=C(C[C@H]1CNCCO1)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219537347 774528733 /nfs/dbraw/zinc/52/87/33/774528733.db2.gz LJCPKBNZSMQDQJ-MISXGVKJSA-N 1 3 303.362 0.451 20 0 DCADHO COc1ccc(C(=O)CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001219559862 774537032 /nfs/dbraw/zinc/53/70/32/774537032.db2.gz LBTCGGQQPYGFJA-CXAGYDPISA-N 1 3 317.389 0.193 20 0 DCADHO Cc1cc(C)n(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001219595816 774550501 /nfs/dbraw/zinc/55/05/01/774550501.db2.gz RJODXSPGROBWID-AWEZNQCLSA-N 1 3 305.426 0.490 20 0 DCADHO Cc1cc(C)n(CCNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001219595816 774550503 /nfs/dbraw/zinc/55/05/03/774550503.db2.gz RJODXSPGROBWID-AWEZNQCLSA-N 1 3 305.426 0.490 20 0 DCADHO N[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCc2cc(F)ccc2C1 ZINC001219635503 774568353 /nfs/dbraw/zinc/56/83/53/774568353.db2.gz JQSYBQCWSLIYLP-OFQRWUPVSA-N 1 3 309.360 0.828 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737472 774595169 /nfs/dbraw/zinc/59/51/69/774595169.db2.gz WUKVPMWMUMWQGV-HOTGVXAUSA-N 1 3 317.433 0.831 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1cc2c(s1)CNCC2 ZINC001219850491 774628549 /nfs/dbraw/zinc/62/85/49/774628549.db2.gz VZOXMNHJKVJUFI-COPLHBTASA-N 1 3 307.419 0.643 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854208 774629382 /nfs/dbraw/zinc/62/93/82/774629382.db2.gz FCPVGAVSWOCDEJ-FXUDXRNXSA-N 1 3 303.406 0.440 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)[C@H](N)CCC(=O)OCc1ccccc1 ZINC001219916454 774645612 /nfs/dbraw/zinc/64/56/12/774645612.db2.gz WCZPXXTZSDRLKJ-DZGCQCFKSA-N 1 3 321.421 0.904 20 0 DCADHO COc1ccc(O[C@@H](C)CNC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001219945549 774652823 /nfs/dbraw/zinc/65/28/23/774652823.db2.gz MREQUJOZAZNGIX-BLLLJJGKSA-N 1 3 321.421 0.906 20 0 DCADHO COc1ccc(O[C@@H](C)CNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001219945783 774653873 /nfs/dbraw/zinc/65/38/73/774653873.db2.gz SQFDIAOYVRDFEF-SWLSCSKDSA-N 1 3 319.405 0.388 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N1CCc2ccccc21 ZINC001219978723 774660114 /nfs/dbraw/zinc/66/01/14/774660114.db2.gz QYMVSQLAKLVGJW-ZDUSSCGKSA-N 1 3 304.394 0.148 20 0 DCADHO N=C(N)N(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1F ZINC001220106049 774695203 /nfs/dbraw/zinc/69/52/03/774695203.db2.gz ACCFQYIWONUDGL-LBPRGKRZSA-N 1 3 319.384 0.926 20 0 DCADHO Cc1cccnc1[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001220256839 774747939 /nfs/dbraw/zinc/74/79/39/774747939.db2.gz GTCZBIJCXSMERB-DZGCQCFKSA-N 1 3 300.406 0.766 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406870 774843636 /nfs/dbraw/zinc/84/36/36/774843636.db2.gz MIPQZDSQOIAMSD-KBXIAJHMSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114406870 774843647 /nfs/dbraw/zinc/84/36/47/774843647.db2.gz MIPQZDSQOIAMSD-KBXIAJHMSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413553 774850333 /nfs/dbraw/zinc/85/03/33/774850333.db2.gz BKLHSJOBSDVMJD-QLPKVWCKSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413553 774850342 /nfs/dbraw/zinc/85/03/42/774850342.db2.gz BKLHSJOBSDVMJD-QLPKVWCKSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806374 774920400 /nfs/dbraw/zinc/92/04/00/774920400.db2.gz ADSJHUWYXHRUPH-MCIONIFRSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1C[NH3+] ZINC001220855208 774936957 /nfs/dbraw/zinc/93/69/57/774936957.db2.gz QDPDHJCNARXBNY-WFASDCNBSA-N 1 3 320.437 0.640 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NC1(Cc2ccccn2)CCOCC1 ZINC001220947004 774959880 /nfs/dbraw/zinc/95/98/80/774959880.db2.gz QQXDSSQUPXVEOW-AWEZNQCLSA-N 1 3 306.410 0.356 20 0 DCADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976291 774967905 /nfs/dbraw/zinc/96/79/05/774967905.db2.gz SKCVFPCYSURAQY-YNOVSXENSA-N 1 3 309.454 0.846 20 0 DCADHO CCC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976291 774967908 /nfs/dbraw/zinc/96/79/08/774967908.db2.gz SKCVFPCYSURAQY-YNOVSXENSA-N 1 3 309.454 0.846 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1cn(CC2CC2)cn1 ZINC001221023367 774981346 /nfs/dbraw/zinc/98/13/46/774981346.db2.gz JDNSDPOLWLNECW-HNNXBMFYSA-N 1 3 307.442 0.969 20 0 DCADHO COc1ncccc1[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001221021853 774981557 /nfs/dbraw/zinc/98/15/57/774981557.db2.gz QAQYHZSAADKWPJ-STQMWFEESA-N 1 3 324.450 0.677 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000316778525 774984651 /nfs/dbraw/zinc/98/46/51/774984651.db2.gz VGVQXOGQZYGBKZ-WZRBSPASSA-N 1 3 321.343 0.508 20 0 DCADHO N[C@@H](C(=O)NCc1cn(CC(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC001221146743 775007387 /nfs/dbraw/zinc/00/73/87/775007387.db2.gz NWGQDURXBGIBJH-LLVKDONJSA-N 1 3 319.331 0.389 20 0 DCADHO O=C(N[C@@H](c1ncccc1F)C1CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221218781 775030715 /nfs/dbraw/zinc/03/07/15/775030715.db2.gz GBQAPXOFKWFFDK-WCQYABFASA-N 1 3 304.369 0.597 20 0 DCADHO COc1ccc2c(c1)OC[C@@H](CNC(=O)[C@H](N)CCC[NH3+])C2 ZINC001221320674 775067860 /nfs/dbraw/zinc/06/78/60/775067860.db2.gz DYVGPQNOIZNOKR-BXUZGUMPSA-N 1 3 307.394 0.429 20 0 DCADHO O=C(NCCOc1ccncc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221393503 775084588 /nfs/dbraw/zinc/08/45/88/775084588.db2.gz FHDCERRUTIWLCZ-AWEZNQCLSA-N 1 3 304.394 0.451 20 0 DCADHO O=C(NCCOc1ccncc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221393503 775084591 /nfs/dbraw/zinc/08/45/91/775084591.db2.gz FHDCERRUTIWLCZ-AWEZNQCLSA-N 1 3 304.394 0.451 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]1C1CC1 ZINC001221409427 775092045 /nfs/dbraw/zinc/09/20/45/775092045.db2.gz UGBIBQCQOCRPAR-AJNGGQMLSA-N 1 3 322.453 0.348 20 0 DCADHO c1c(CN2CCOC3(CNC3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001222447463 775354561 /nfs/dbraw/zinc/35/45/61/775354561.db2.gz YPFDPOOVRGIPFV-UHFFFAOYSA-N 1 3 312.417 0.919 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CCN(CCN2CCCC2=O)CC1 ZINC001224346086 775563282 /nfs/dbraw/zinc/56/32/82/775563282.db2.gz BORNVKGZVCREFT-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001114751269 776098246 /nfs/dbraw/zinc/09/82/46/776098246.db2.gz XEIKRFGOXJKHGC-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001229860175 776232362 /nfs/dbraw/zinc/23/23/62/776232362.db2.gz NLSOWPCLUHGSDB-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229932883 776236734 /nfs/dbraw/zinc/23/67/34/776236734.db2.gz BMQWKHFNXOCOFX-MGPQQGTHSA-N 1 3 324.425 0.285 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001317589149 945090072 /nfs/dbraw/zinc/09/00/72/945090072.db2.gz NBVNNNVAUHRQEB-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001317589149 945090081 /nfs/dbraw/zinc/09/00/81/945090081.db2.gz NBVNNNVAUHRQEB-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCOCCO)CCN1C(=O)CN(C)C1CCC1 ZINC001278263267 945199960 /nfs/dbraw/zinc/19/99/60/945199960.db2.gz HNKCTTSGLRWUGP-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCOCC(F)F)C1 ZINC001266552072 939161206 /nfs/dbraw/zinc/16/12/06/939161206.db2.gz KUKRVIXNJRITHG-JTQLQIEISA-N 1 3 302.325 0.424 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001266989083 939299595 /nfs/dbraw/zinc/29/95/95/939299595.db2.gz RZBPYZDZUFPWNL-CQSZACIVSA-N 1 3 308.426 0.274 20 0 DCADHO CN(CC[NH2+]CCO[C@@H]1CC1(F)F)C(=O)[C@H]1CCCN1C ZINC001267355262 939433134 /nfs/dbraw/zinc/43/31/34/939433134.db2.gz MDKFBUFNYITJQQ-VXGBXAGGSA-N 1 3 305.369 0.553 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)n1 ZINC001267384262 939444153 /nfs/dbraw/zinc/44/41/53/939444153.db2.gz ORTLEYVUUWOPOK-UHFFFAOYSA-N 1 3 322.457 0.427 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001267434172 939455587 /nfs/dbraw/zinc/45/55/87/939455587.db2.gz HMSUWZBGGMAXJI-UHFFFAOYSA-N 1 3 304.398 0.514 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456135 939460749 /nfs/dbraw/zinc/46/07/49/939460749.db2.gz MRGDFGDUPMGNRO-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456135 939460752 /nfs/dbraw/zinc/46/07/52/939460752.db2.gz MRGDFGDUPMGNRO-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCc2cnn(C)c2)C1 ZINC001481279794 939703874 /nfs/dbraw/zinc/70/38/74/939703874.db2.gz KSDDRCNRHOTXHG-CQSZACIVSA-N 1 3 307.442 0.352 20 0 DCADHO CN(C)C(=O)CNCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001481301143 939729862 /nfs/dbraw/zinc/72/98/62/939729862.db2.gz PIHMKFJEEHPWPW-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)NC1CC1 ZINC001481317761 939744520 /nfs/dbraw/zinc/74/45/20/939744520.db2.gz KYTUSPGFIJXRSA-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CCOCCO ZINC001268192511 939986278 /nfs/dbraw/zinc/98/62/78/939986278.db2.gz POGMQELFIHCAGN-ZFWWWQNUSA-N 1 3 324.425 0.178 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001409967958 945292139 /nfs/dbraw/zinc/29/21/39/945292139.db2.gz DVEIXSZDIAASHQ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001409967958 945292142 /nfs/dbraw/zinc/29/21/42/945292142.db2.gz DVEIXSZDIAASHQ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)CCC[NH+](C)C ZINC001421951651 940053433 /nfs/dbraw/zinc/05/34/33/940053433.db2.gz WOQRXORCYRXOIZ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001481875651 940168156 /nfs/dbraw/zinc/16/81/56/940168156.db2.gz OSMPLKVFKINHSR-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001481875651 940168158 /nfs/dbraw/zinc/16/81/58/940168158.db2.gz OSMPLKVFKINHSR-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1cnnn1C)C1CC1)N(C)C ZINC001481942334 940191634 /nfs/dbraw/zinc/19/16/34/940191634.db2.gz KPLNJTHABLAIEY-GOEBONIOSA-N 1 3 322.457 0.530 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)CN1CCCC1 ZINC001268498847 940194812 /nfs/dbraw/zinc/19/48/12/940194812.db2.gz XKUHWFCVNJPYOI-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO O[C@@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)c1ccc(F)c(F)c1 ZINC001245975627 945302727 /nfs/dbraw/zinc/30/27/27/945302727.db2.gz PDXKQCRWJXBGHY-MELADBBJSA-N 1 3 304.312 0.650 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[NH2+]CCCO)CC2)C1 ZINC001482003377 940203827 /nfs/dbraw/zinc/20/38/27/940203827.db2.gz CTZDOMVHUUBGSQ-OAHLLOKOSA-N 1 3 311.470 0.929 20 0 DCADHO CCN(C)C(=O)CNC/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268630180 940308539 /nfs/dbraw/zinc/30/85/39/940308539.db2.gz GPZOHLPZMWXDPU-KIUWMYQTSA-N 1 3 324.469 0.601 20 0 DCADHO CCN(C)C(=O)CNC/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268630180 940308540 /nfs/dbraw/zinc/30/85/40/940308540.db2.gz GPZOHLPZMWXDPU-KIUWMYQTSA-N 1 3 324.469 0.601 20 0 DCADHO COC(=O)[C@@H](O)CN[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246001115 945311858 /nfs/dbraw/zinc/31/18/58/945311858.db2.gz PTDNLGHBGXGGCC-LSDHHAIUSA-N 1 3 310.369 0.990 20 0 DCADHO Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001268782806 940358365 /nfs/dbraw/zinc/35/83/65/940358365.db2.gz DOUMCBSYBRJLAZ-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C)C(=O)NC1CC1 ZINC001268801240 940365938 /nfs/dbraw/zinc/36/59/38/940365938.db2.gz DOJLSLHSYHXWEL-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO COC(=O)[C@H](O)CN[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246003007 945312987 /nfs/dbraw/zinc/31/29/87/945312987.db2.gz WNIWUQXANMKIAQ-HUUCEWRRSA-N 1 3 310.369 0.990 20 0 DCADHO NC[C@]1(O)CCCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC001246024144 945319861 /nfs/dbraw/zinc/31/98/61/945319861.db2.gz QQQBNSQWXVRRQN-IAGOWNOFSA-N 1 3 308.422 0.740 20 0 DCADHO NC[C@]1(O)CCCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC001246024144 945319869 /nfs/dbraw/zinc/31/98/69/945319869.db2.gz QQQBNSQWXVRRQN-IAGOWNOFSA-N 1 3 308.422 0.740 20 0 DCADHO [NH3+]C[C@]1(O)CCCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC001246024144 945319879 /nfs/dbraw/zinc/31/98/79/945319879.db2.gz QQQBNSQWXVRRQN-IAGOWNOFSA-N 1 3 308.422 0.740 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCOCC(F)F)C1 ZINC001284750877 940811416 /nfs/dbraw/zinc/81/14/16/940811416.db2.gz LQTKJJQZWCRSTD-BPCQOVAHSA-N 1 3 319.396 0.941 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001482268635 940842808 /nfs/dbraw/zinc/84/28/08/940842808.db2.gz ZJTUADQBEMAFNX-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482323294 940979729 /nfs/dbraw/zinc/97/97/29/940979729.db2.gz MOJZEBSDVKRRIC-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001493501678 941013355 /nfs/dbraw/zinc/01/33/55/941013355.db2.gz WOHHCTRDVVRLES-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365278 941023230 /nfs/dbraw/zinc/02/32/30/941023230.db2.gz UNCMTARDGAYFNG-TZMCWYRMSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482365278 941023234 /nfs/dbraw/zinc/02/32/34/941023234.db2.gz UNCMTARDGAYFNG-TZMCWYRMSA-N 1 3 307.442 0.617 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001482430995 941218141 /nfs/dbraw/zinc/21/81/41/941218141.db2.gz AJYHZGFZRDWJOY-OLZOCXBDSA-N 1 3 312.458 0.276 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCn4ccnc4)C[C@H]32)C1 ZINC001271223057 941328790 /nfs/dbraw/zinc/32/87/90/941328790.db2.gz LXEYWOMOOUSHEL-HRCADAONSA-N 1 3 317.437 0.368 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCn4ccnc4)C[C@H]32)C1 ZINC001271223057 941328792 /nfs/dbraw/zinc/32/87/92/941328792.db2.gz LXEYWOMOOUSHEL-HRCADAONSA-N 1 3 317.437 0.368 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)C1 ZINC001271222994 941329077 /nfs/dbraw/zinc/32/90/77/941329077.db2.gz JZPDOFFHLVRKTO-JYJNAYRXSA-N 1 3 317.437 0.510 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)C1 ZINC001271222994 941329081 /nfs/dbraw/zinc/32/90/81/941329081.db2.gz JZPDOFFHLVRKTO-JYJNAYRXSA-N 1 3 317.437 0.510 20 0 DCADHO Cc1nccnc1CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001482572076 941512747 /nfs/dbraw/zinc/51/27/47/941512747.db2.gz WZVJHYSYXLCYJC-HUUCEWRRSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1nccnc1CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001482572076 941512749 /nfs/dbraw/zinc/51/27/49/941512749.db2.gz WZVJHYSYXLCYJC-HUUCEWRRSA-N 1 3 319.453 0.967 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001482871796 941695088 /nfs/dbraw/zinc/69/50/88/941695088.db2.gz SBXHBOCXGPRFCY-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCOCC(F)(F)F ZINC001482990595 941761046 /nfs/dbraw/zinc/76/10/46/941761046.db2.gz DUUILBSORQFQOB-DLGQBQFBSA-N 1 3 323.359 0.922 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001409266690 941815183 /nfs/dbraw/zinc/81/51/83/941815183.db2.gz UMLAFHUNZQRPLT-WLYUNCDWSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001483093345 941840401 /nfs/dbraw/zinc/84/04/01/941840401.db2.gz PJJWWNAJRVZBDJ-NWRQEBOHSA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001483093345 941840406 /nfs/dbraw/zinc/84/04/06/941840406.db2.gz PJJWWNAJRVZBDJ-NWRQEBOHSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@H](CNCC(=O)N1CCC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001483163013 941917425 /nfs/dbraw/zinc/91/74/25/941917425.db2.gz UJKHDYSKVMVUAM-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001483188489 941927646 /nfs/dbraw/zinc/92/76/46/941927646.db2.gz KJSLGEBYFDXNII-LLVKDONJSA-N 1 3 304.398 0.331 20 0 DCADHO CNC(=O)C[NH2+][C@H](CCN(C)C(=O)Cc1c[nH]cn1)C(C)C ZINC001409768170 942194822 /nfs/dbraw/zinc/19/48/22/942194822.db2.gz PSRJQIOQLQNLMV-CYBMUJFWSA-N 1 3 309.414 0.161 20 0 DCADHO CS(=O)(=O)N(C1CC[NH2+]CC1)C1CCN(CC2CC2)CC1 ZINC001168371849 942215102 /nfs/dbraw/zinc/21/51/02/942215102.db2.gz JNFLCMJGHFZQFT-UHFFFAOYSA-N 1 3 315.483 0.874 20 0 DCADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001484056908 943123904 /nfs/dbraw/zinc/12/39/04/943123904.db2.gz CZBCQCDMVDYXKQ-QGZVFWFLSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N(C)C)C2 ZINC001484320172 943320188 /nfs/dbraw/zinc/32/01/88/943320188.db2.gz JGLDVCSEDDUVNY-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N(C)C)C2 ZINC001484320172 943320198 /nfs/dbraw/zinc/32/01/98/943320198.db2.gz JGLDVCSEDDUVNY-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001484897723 943620475 /nfs/dbraw/zinc/62/04/75/943620475.db2.gz QDQMBUHXXASEQW-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001491023996 943714642 /nfs/dbraw/zinc/71/46/42/943714642.db2.gz XUFZOCATMVEKDX-NDBYEHHHSA-N 1 3 316.421 0.038 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001491074785 943735411 /nfs/dbraw/zinc/73/54/11/943735411.db2.gz IQNQCDCHSUQIJX-PHIMTYICSA-N 1 3 316.352 0.779 20 0 DCADHO C[C@@H](NCC(=O)NCC(C)(C)C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485189625 943745818 /nfs/dbraw/zinc/74/58/18/943745818.db2.gz NDUUXWSXRVNPOC-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)CCc1ccnn1C ZINC001485388978 943916417 /nfs/dbraw/zinc/91/64/17/943916417.db2.gz PRDPBMNHRXAGMH-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCc1ccnn1C ZINC001485388978 943916421 /nfs/dbraw/zinc/91/64/21/943916421.db2.gz PRDPBMNHRXAGMH-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001491363108 943938247 /nfs/dbraw/zinc/93/82/47/943938247.db2.gz KVVVYESOPZUTMC-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001491364817 943941812 /nfs/dbraw/zinc/94/18/12/943941812.db2.gz MKGFRDAQWSXQGV-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001491367841 943944565 /nfs/dbraw/zinc/94/45/65/943944565.db2.gz ZNQWCAMBQQCGLS-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491456766 944012232 /nfs/dbraw/zinc/01/22/32/944012232.db2.gz JTUUZRRAPGPFAB-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCO[C@@H]1CC1(F)F ZINC001491479662 944032847 /nfs/dbraw/zinc/03/28/47/944032847.db2.gz YBAQCRSUJZBBTO-NWDGAFQWSA-N 1 3 319.396 0.989 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001485624520 944046134 /nfs/dbraw/zinc/04/61/34/944046134.db2.gz UIVGKGQTKFCJAC-YHUYYLMFSA-N 1 3 309.454 0.659 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001485624520 944046141 /nfs/dbraw/zinc/04/61/41/944046141.db2.gz UIVGKGQTKFCJAC-YHUYYLMFSA-N 1 3 309.454 0.659 20 0 DCADHO CN1CCN(C[C@@H]2CCC[N@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001276497484 944193444 /nfs/dbraw/zinc/19/34/44/944193444.db2.gz XBLLKHNERXEAIO-WBVHZDCISA-N 1 3 308.470 0.615 20 0 DCADHO CN1CCN(C[C@@H]2CCC[N@@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001276497484 944193448 /nfs/dbraw/zinc/19/34/48/944193448.db2.gz XBLLKHNERXEAIO-WBVHZDCISA-N 1 3 308.470 0.615 20 0 DCADHO C[NH+](C)CCN1CC2(C1)CN(CC(C)(C)N1CCOCC1)C2 ZINC001276661830 944252940 /nfs/dbraw/zinc/25/29/40/944252940.db2.gz ZMNPHWFVXKJGKP-UHFFFAOYSA-N 1 3 310.486 0.276 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)[C@H]1C ZINC001486091814 944550842 /nfs/dbraw/zinc/55/08/42/944550842.db2.gz AQXKBUAKXPZKIF-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)[C@H]1C ZINC001486091814 944550849 /nfs/dbraw/zinc/55/08/49/944550849.db2.gz AQXKBUAKXPZKIF-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486297559 944740116 /nfs/dbraw/zinc/74/01/16/944740116.db2.gz GCZNHLUCJGMXEC-AWEZNQCLSA-N 1 3 308.426 0.251 20 0 DCADHO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCCO)N1CCCCCC1 ZINC001486301986 944746403 /nfs/dbraw/zinc/74/64/03/944746403.db2.gz BENVDARRRKKDAH-HUUCEWRRSA-N 1 3 315.458 0.042 20 0 DCADHO CN(C[C@H](O)CNCc1cncs1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486317969 944762178 /nfs/dbraw/zinc/76/21/78/944762178.db2.gz RMZXFRGSTVAJIO-VXGBXAGGSA-N 1 3 312.439 0.004 20 0 DCADHO CN(C[C@H](O)CNCc1cncs1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486317969 944762183 /nfs/dbraw/zinc/76/21/83/944762183.db2.gz RMZXFRGSTVAJIO-VXGBXAGGSA-N 1 3 312.439 0.004 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001486316760 944763260 /nfs/dbraw/zinc/76/32/60/944763260.db2.gz ICFAWKAFFFSXCJ-HZPDHXFCSA-N 1 3 320.437 0.251 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001486316760 944763264 /nfs/dbraw/zinc/76/32/64/944763264.db2.gz ICFAWKAFFFSXCJ-HZPDHXFCSA-N 1 3 320.437 0.251 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C(C)(C)C)C1 ZINC001486424319 944869560 /nfs/dbraw/zinc/86/95/60/944869560.db2.gz RKUJAZRLLBNHHT-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C(C)(C)C)C1 ZINC001486424319 944869567 /nfs/dbraw/zinc/86/95/67/944869567.db2.gz RKUJAZRLLBNHHT-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001317294387 944901989 /nfs/dbraw/zinc/90/19/89/944901989.db2.gz YHDWERDTUMJUCD-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCN2CCCC2=O)C1 ZINC001486483503 944919092 /nfs/dbraw/zinc/91/90/92/944919092.db2.gz KXJUNSFLLORRBN-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)NCCN1CCCCCC1 ZINC000722217586 945047339 /nfs/dbraw/zinc/04/73/39/945047339.db2.gz SUKCKXCXEPUVDD-UHFFFAOYSA-N 1 3 303.472 0.781 20 0 DCADHO O=C1CC[C@H]([NH2+][C@@H]2CNC[C@@H]2CO)CCN1Cc1ccccc1 ZINC001246301139 945381506 /nfs/dbraw/zinc/38/15/06/945381506.db2.gz VRIHBKDXKUSJJA-IXDOHACOSA-N 1 3 317.433 0.738 20 0 DCADHO O=C1CNCCN1CC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246354438 945392896 /nfs/dbraw/zinc/39/28/96/945392896.db2.gz FGMLYCQAIGMSMW-HZPDHXFCSA-N 1 3 302.422 0.501 20 0 DCADHO O=C1CNCCN1CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246354438 945392907 /nfs/dbraw/zinc/39/29/07/945392907.db2.gz FGMLYCQAIGMSMW-HZPDHXFCSA-N 1 3 302.422 0.501 20 0 DCADHO [NH3+]C[C@H]1CN(C2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@H]1O ZINC001246579359 945435848 /nfs/dbraw/zinc/43/58/48/945435848.db2.gz IRFGNAMYXLJMSZ-XJKSGUPXSA-N 1 3 321.396 0.682 20 0 DCADHO C[C@@H]1CC[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)C[NH2+]1 ZINC001246706453 945466946 /nfs/dbraw/zinc/46/69/46/945466946.db2.gz KUAQWVBWLWHNOZ-OLZOCXBDSA-N 1 3 315.421 0.854 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CCN1 ZINC001246731767 945475379 /nfs/dbraw/zinc/47/53/79/945475379.db2.gz YJRAMAVFSHNPPE-YIDVYQOGSA-N 1 3 323.437 0.913 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CCN1 ZINC001246731767 945475388 /nfs/dbraw/zinc/47/53/88/945475388.db2.gz YJRAMAVFSHNPPE-YIDVYQOGSA-N 1 3 323.437 0.913 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN(C1CC[NH2+]CC1)CCC2 ZINC001246740809 945478041 /nfs/dbraw/zinc/47/80/41/945478041.db2.gz GZOFRSLRLGLQNI-UHFFFAOYSA-N 1 3 305.426 0.263 20 0 DCADHO C[C@H]1CC[C@@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)C[NH2+]1 ZINC001246747267 945481120 /nfs/dbraw/zinc/48/11/20/945481120.db2.gz TURUINPIKQFVOW-DZGCQCFKSA-N 1 3 319.453 0.651 20 0 DCADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1 ZINC001246746091 945481894 /nfs/dbraw/zinc/48/18/94/945481894.db2.gz QZNPGKZJYIERPI-KBEGMRNHSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CN1 ZINC001246746091 945481898 /nfs/dbraw/zinc/48/18/98/945481898.db2.gz QZNPGKZJYIERPI-KBEGMRNHSA-N 1 3 321.465 0.992 20 0 DCADHO COc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)c(OC)c1 ZINC001247852952 945578182 /nfs/dbraw/zinc/57/81/82/945578182.db2.gz ZIHYKMJTBRDULH-UHFFFAOYSA-N 1 3 316.361 0.814 20 0 DCADHO CC(C)OC[C@@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252680526 945983776 /nfs/dbraw/zinc/98/37/76/945983776.db2.gz BMWVSDSSLUXXRJ-KRWDZBQOSA-N 1 3 313.486 0.732 20 0 DCADHO OCC1(CO)CC(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252943219 946032251 /nfs/dbraw/zinc/03/22/51/946032251.db2.gz AVWOBRGSYOVHPZ-GOSISDBHSA-N 1 3 320.433 0.346 20 0 DCADHO OCC1(CO)CC(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252943219 946032264 /nfs/dbraw/zinc/03/22/64/946032264.db2.gz AVWOBRGSYOVHPZ-GOSISDBHSA-N 1 3 320.433 0.346 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001410224363 946058270 /nfs/dbraw/zinc/05/82/70/946058270.db2.gz UAFUATKUPWGBLE-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)CCC[N@H+](C)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253130187 946063056 /nfs/dbraw/zinc/06/30/56/946063056.db2.gz SNPZRQFYYFNYHL-INIZCTEOSA-N 1 3 310.438 0.845 20 0 DCADHO CN(C)CCC[N@@H+](C)C[C@H](O)COc1ccc(CCO)cc1 ZINC001253130187 946063070 /nfs/dbraw/zinc/06/30/70/946063070.db2.gz SNPZRQFYYFNYHL-INIZCTEOSA-N 1 3 310.438 0.845 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CCCN(c2cnccn2)C1 ZINC001253214741 946096135 /nfs/dbraw/zinc/09/61/35/946096135.db2.gz RNSDRENVDOOKFF-GJZGRUSLSA-N 1 3 307.442 0.738 20 0 DCADHO CCOC(=O)CN1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253408295 946115621 /nfs/dbraw/zinc/11/56/21/946115621.db2.gz BIWSUUDSEZYXQE-AWEZNQCLSA-N 1 3 315.458 0.353 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001410287981 946146086 /nfs/dbraw/zinc/14/60/86/946146086.db2.gz FZAHVZSKYHSXSN-RDBSUJKOSA-N 1 3 314.474 0.534 20 0 DCADHO OC1(C[NH2+]CC2OCCO2)CCN(Cc2ccccc2)CC1 ZINC001254050554 946225063 /nfs/dbraw/zinc/22/50/63/946225063.db2.gz NTQWMCGPYHUQGZ-UHFFFAOYSA-N 1 3 306.406 0.976 20 0 DCADHO Nc1ccncc1-c1cn(C[C@@H]2C[C@]3(CO2)CCC[NH2+]C3)nn1 ZINC001254067378 946230517 /nfs/dbraw/zinc/23/05/17/946230517.db2.gz HXZIJAMXXUDAEY-BLLLJJGKSA-N 1 3 314.393 0.911 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001321336029 946282281 /nfs/dbraw/zinc/28/22/81/946282281.db2.gz IZALUEPKGNIWJQ-PUWCWTCHSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001321336029 946282294 /nfs/dbraw/zinc/28/22/94/946282294.db2.gz IZALUEPKGNIWJQ-PUWCWTCHSA-N 1 3 322.453 0.257 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cncnc3)C2)C1=O ZINC001273257999 946318311 /nfs/dbraw/zinc/31/83/11/946318311.db2.gz UMFMCRAZWSVPRZ-MRXNPFEDSA-N 1 3 303.410 0.463 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)N1CCCC1 ZINC001410435601 946363520 /nfs/dbraw/zinc/36/35/20/946363520.db2.gz MBDDVXDUDOQFSO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)N1CCCC1 ZINC001410435601 946363535 /nfs/dbraw/zinc/36/35/35/946363535.db2.gz MBDDVXDUDOQFSO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001410435601 946363548 /nfs/dbraw/zinc/36/35/48/946363548.db2.gz MBDDVXDUDOQFSO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)N1CCCC1 ZINC001410435598 946366247 /nfs/dbraw/zinc/36/62/47/946366247.db2.gz MBDDVXDUDOQFSO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)N1CCCC1 ZINC001410435598 946366257 /nfs/dbraw/zinc/36/62/57/946366257.db2.gz MBDDVXDUDOQFSO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001410435598 946366268 /nfs/dbraw/zinc/36/62/68/946366268.db2.gz MBDDVXDUDOQFSO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCOC(=O)CN1CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001254408519 946388128 /nfs/dbraw/zinc/38/81/28/946388128.db2.gz WICPCSMQHLJFLV-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO CCOC(=O)CN1CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001254408519 946388137 /nfs/dbraw/zinc/38/81/37/946388137.db2.gz WICPCSMQHLJFLV-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO CCS(=O)(=O)N(C1CC[NH2+]CC1)[C@@H]1CC2CCN(CC2)C1 ZINC001254867206 946442705 /nfs/dbraw/zinc/44/27/05/946442705.db2.gz HDOHZWDUVGQSSK-OAHLLOKOSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001410495840 946487739 /nfs/dbraw/zinc/48/77/39/946487739.db2.gz FLVWBNBJGGGOSN-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO [NH3+]CCCN1CCN(C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255975623 946564273 /nfs/dbraw/zinc/56/42/73/946564273.db2.gz ZEKVKHNQQBUNKD-UHFFFAOYSA-N 1 3 322.375 0.506 20 0 DCADHO C[NH+]1CCC(N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)CC1 ZINC001256203647 946592944 /nfs/dbraw/zinc/59/29/44/946592944.db2.gz KHCYGPDSXJWCJE-CABCVRRESA-N 1 3 303.410 0.460 20 0 DCADHO C[NH+]1CCC(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CO)CC1 ZINC001256198278 946593123 /nfs/dbraw/zinc/59/31/23/946593123.db2.gz HXMNRXTZBMFZOJ-TZMCWYRMSA-N 1 3 313.442 0.898 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CCOCC2CC2)C1 ZINC001273324244 946637626 /nfs/dbraw/zinc/63/76/26/946637626.db2.gz XXUOAMWBVFQHTN-OAHLLOKOSA-N 1 3 322.409 0.196 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CCOCC2CC2)C1 ZINC001273324243 946637922 /nfs/dbraw/zinc/63/79/22/946637922.db2.gz XXUOAMWBVFQHTN-HNNXBMFYSA-N 1 3 322.409 0.196 20 0 DCADHO C[C@@H]1COCCN1CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683753 946653603 /nfs/dbraw/zinc/65/36/03/946653603.db2.gz GXKLZFDLUHYAPV-KLAILNCOSA-N 1 3 311.470 0.940 20 0 DCADHO CN(CCC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001322443278 946680051 /nfs/dbraw/zinc/68/00/51/946680051.db2.gz WEBCDCSCATUXGB-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2cnn(C)c2)C1 ZINC001322694791 946772613 /nfs/dbraw/zinc/77/26/13/946772613.db2.gz VHRBFPATXGJAJX-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001410845109 947019656 /nfs/dbraw/zinc/01/96/56/947019656.db2.gz GNZYAKLHIMPNQA-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001410867981 947055948 /nfs/dbraw/zinc/05/59/48/947055948.db2.gz QACNFNMQRJYSLG-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001410922683 947128160 /nfs/dbraw/zinc/12/81/60/947128160.db2.gz UJJYSCQWRHYTLL-UHFFFAOYSA-N 1 3 322.453 0.092 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCN1CCCC1=O ZINC001324273484 947373395 /nfs/dbraw/zinc/37/33/95/947373395.db2.gz LQWVPMBLNQWMPN-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438674937 947429003 /nfs/dbraw/zinc/42/90/03/947429003.db2.gz QEXCRTLEBICWDI-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)c2ccc(C[NH+](C)C)cc2)C1=O ZINC001135337228 947662817 /nfs/dbraw/zinc/66/28/17/947662817.db2.gz WZFYVDSEJXIQPM-OAHLLOKOSA-N 1 3 318.421 0.298 20 0 DCADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246271873 947687394 /nfs/dbraw/zinc/68/73/94/947687394.db2.gz ZUATYVGIKQUUQP-JSGCOSHPSA-N 1 3 303.472 0.919 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325514092 947823884 /nfs/dbraw/zinc/82/38/84/947823884.db2.gz ZPLQPWFRIJLFOU-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001186816604 947942743 /nfs/dbraw/zinc/94/27/43/947942743.db2.gz CBHPWQOXYUENFX-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001186816604 947942749 /nfs/dbraw/zinc/94/27/49/947942749.db2.gz CBHPWQOXYUENFX-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCCN2C[C@H]2COCCO2)C1=O ZINC001273774571 948080589 /nfs/dbraw/zinc/08/05/89/948080589.db2.gz QFEIDBPSDYQZNP-HOCLYGCPSA-N 1 3 311.426 0.030 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)Nc2cnc3c(c2)CNCC3)nn1 ZINC001326307324 948126346 /nfs/dbraw/zinc/12/63/46/948126346.db2.gz XUQITTPGPJFTLI-UHFFFAOYSA-N 1 3 315.381 0.310 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001327049555 948379889 /nfs/dbraw/zinc/37/98/89/948379889.db2.gz SHAANYINWJMJBN-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001327516703 948537565 /nfs/dbraw/zinc/53/75/65/948537565.db2.gz VFENUQUVRHZHHB-OAHLLOKOSA-N 1 3 318.421 0.362 20 0 DCADHO O=C(N1CCC(O)(CNCCF)CC1)C12CCC[NH+]1CCC2 ZINC001328174234 948730878 /nfs/dbraw/zinc/73/08/78/948730878.db2.gz GAEVOUAEPZXANU-UHFFFAOYSA-N 1 3 313.417 0.527 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCOCC(F)(F)F)C1 ZINC001265448191 949694456 /nfs/dbraw/zinc/69/44/56/949694456.db2.gz NNDFWAWJTRXIDM-JTQLQIEISA-N 1 3 320.315 0.722 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)N(C)C ZINC001265455972 949701174 /nfs/dbraw/zinc/70/11/74/949701174.db2.gz AODPKLCGMZWJIP-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCNC1=O ZINC001265865333 950056743 /nfs/dbraw/zinc/05/67/43/950056743.db2.gz YHNMVMHFVQJZQA-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCNC1=O ZINC001265865333 950056763 /nfs/dbraw/zinc/05/67/63/950056763.db2.gz YHNMVMHFVQJZQA-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001490303598 950513210 /nfs/dbraw/zinc/51/32/10/950513210.db2.gz OFIHLXOYFYSBLI-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)CN(C)C2CCC2)CC1 ZINC001490594907 950914590 /nfs/dbraw/zinc/91/45/90/950914590.db2.gz JLVMGNCAOBNJBR-DZGCQCFKSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331133684 950943671 /nfs/dbraw/zinc/94/36/71/950943671.db2.gz LWPQKAYLMWADOU-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001331930383 951395337 /nfs/dbraw/zinc/39/53/37/951395337.db2.gz WSNPZDBLMFMCHS-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)CN1CCCC1 ZINC001331941092 951400599 /nfs/dbraw/zinc/40/05/99/951400599.db2.gz URFUQUBKQONDJM-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001332249639 951542798 /nfs/dbraw/zinc/54/27/98/951542798.db2.gz IOESJHRXBYBQKL-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO CCOCC[NH2+]CC1(O)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001281637516 951570812 /nfs/dbraw/zinc/57/08/12/951570812.db2.gz VTGYWBPZCWWTCP-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO Cn1cncc1N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001274758461 951825331 /nfs/dbraw/zinc/82/53/31/951825331.db2.gz JCCGJDIKGUFTTN-ZIAGYGMSSA-N 1 3 313.352 0.061 20 0 DCADHO Cn1cncc1N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274758176 951828868 /nfs/dbraw/zinc/82/88/68/951828868.db2.gz CSRJXUYUNZFGLF-CYBMUJFWSA-N 1 3 305.426 0.704 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001275251830 952029800 /nfs/dbraw/zinc/02/98/00/952029800.db2.gz ZUBKOXLQQHZPLE-UYSNPLJNSA-N 1 3 321.469 0.787 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CCO)cc2F)C1 ZINC001333478331 952076254 /nfs/dbraw/zinc/07/62/54/952076254.db2.gz AFBNYNFZYYETIM-CYBMUJFWSA-N 1 3 323.412 0.866 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)COc2cccc(C)c2)CC1 ZINC001335350384 952523445 /nfs/dbraw/zinc/52/34/45/952523445.db2.gz DTNNFDILLOIPHK-QGZVFWFLSA-N 1 3 321.465 0.962 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001335933954 952622671 /nfs/dbraw/zinc/62/26/71/952622671.db2.gz OJVYMWUCDIRVAL-KRWDZBQOSA-N 1 3 309.429 0.956 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001412635823 952956250 /nfs/dbraw/zinc/95/62/50/952956250.db2.gz MPDLMSDEMXWCGQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001412635823 952956254 /nfs/dbraw/zinc/95/62/54/952956254.db2.gz MPDLMSDEMXWCGQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001342274524 953280673 /nfs/dbraw/zinc/28/06/73/953280673.db2.gz SGVIAPVEFBWQHR-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCOCC[NH+]1CCC(CO)(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001281808728 953371901 /nfs/dbraw/zinc/37/19/01/953371901.db2.gz PWIYRQXAIVSACK-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001365919056 953407723 /nfs/dbraw/zinc/40/77/23/953407723.db2.gz DGZREEGNBJNHTB-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)C1 ZINC001366000564 953555768 /nfs/dbraw/zinc/55/57/68/953555768.db2.gz TZTIKPKKMFQVMB-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccnn2C)C1 ZINC001366000564 953555772 /nfs/dbraw/zinc/55/57/72/953555772.db2.gz TZTIKPKKMFQVMB-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO COC(=O)[C@@H]1CC(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1 ZINC001345110059 953594306 /nfs/dbraw/zinc/59/43/06/953594306.db2.gz YAFWGVNSXHIUNV-YJNKXOJESA-N 1 3 323.437 0.628 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001366038179 953611663 /nfs/dbraw/zinc/61/16/63/953611663.db2.gz QQIZUJDFQDISQH-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CN[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001366042437 953617636 /nfs/dbraw/zinc/61/76/36/953617636.db2.gz ZXHDILMPRADLRQ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CN[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001366042437 953617640 /nfs/dbraw/zinc/61/76/40/953617640.db2.gz ZXHDILMPRADLRQ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366091223 953671700 /nfs/dbraw/zinc/67/17/00/953671700.db2.gz HSKOTVGPEKCEFZ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001366167609 953768409 /nfs/dbraw/zinc/76/84/09/953768409.db2.gz QRYIVWIJJGNAMO-GASCZTMLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001366172745 953777166 /nfs/dbraw/zinc/77/71/66/953777166.db2.gz OWUBFUMBCWOHPF-BETUJISGSA-N 1 3 312.458 0.478 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)nn1 ZINC001346088672 953797470 /nfs/dbraw/zinc/79/74/70/953797470.db2.gz AYTPYJJOISARIL-CYBMUJFWSA-N 1 3 306.414 0.327 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001366188934 953799133 /nfs/dbraw/zinc/79/91/33/953799133.db2.gz TZVJKLLQLTYJDE-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)NC1CC1 ZINC001366204190 953817993 /nfs/dbraw/zinc/81/79/93/953817993.db2.gz NPKPXSXOWQAGET-GFCCVEGCSA-N 1 3 319.409 0.059 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001366217321 953845968 /nfs/dbraw/zinc/84/59/68/953845968.db2.gz QNBZTADVYRLSDT-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21)N(C)C ZINC001366235690 953875533 /nfs/dbraw/zinc/87/55/33/953875533.db2.gz NEYZUDCNXKUMJE-AALSBFMBSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21)N(C)C ZINC001366235690 953875545 /nfs/dbraw/zinc/87/55/45/953875545.db2.gz NEYZUDCNXKUMJE-AALSBFMBSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001366301006 953985850 /nfs/dbraw/zinc/98/58/50/953985850.db2.gz KJBWXJCFILZBCI-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001366301006 953985854 /nfs/dbraw/zinc/98/58/54/953985854.db2.gz KJBWXJCFILZBCI-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001366329890 954031595 /nfs/dbraw/zinc/03/15/95/954031595.db2.gz YDYGIEFRJJULDH-GFCCVEGCSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC001283122126 954032026 /nfs/dbraw/zinc/03/20/26/954032026.db2.gz GHHXTSDNYXVSCX-QWHCGFSZSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NCc1cccc(C(N)=O)c1 ZINC001366329268 954032249 /nfs/dbraw/zinc/03/22/49/954032249.db2.gz XFTPUHOUQQOMOT-GFCCVEGCSA-N 1 3 306.410 0.332 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)C(=O)N(C)C ZINC001366363413 954102012 /nfs/dbraw/zinc/10/20/12/954102012.db2.gz KOOZGWZNYYPQON-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366388737 954137474 /nfs/dbraw/zinc/13/74/74/954137474.db2.gz RPPCJPHGIKUUHB-AWEZNQCLSA-N 1 3 322.453 0.140 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366394140 954144969 /nfs/dbraw/zinc/14/49/69/954144969.db2.gz IBHAEGUEWDEUNC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001366394140 954144979 /nfs/dbraw/zinc/14/49/79/954144979.db2.gz IBHAEGUEWDEUNC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366438831 954196712 /nfs/dbraw/zinc/19/67/12/954196712.db2.gz RLWNASSWPMWFME-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccnn1C)N(C)C ZINC001366466220 954239993 /nfs/dbraw/zinc/23/99/93/954239993.db2.gz YXHWXSKHVGFWSY-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2CCn2cccn2)C1 ZINC001366665656 954612558 /nfs/dbraw/zinc/61/25/58/954612558.db2.gz FUUSJQDJOAMQLI-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2CCn2cccn2)C1 ZINC001366665656 954612566 /nfs/dbraw/zinc/61/25/66/954612566.db2.gz FUUSJQDJOAMQLI-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO Cn1cc(CC[N@H+](CCNC(=O)[C@H]2CCCN2C)C2CC2)cn1 ZINC001366739853 954746382 /nfs/dbraw/zinc/74/63/82/954746382.db2.gz WCXBCZWXAAUKFK-MRXNPFEDSA-N 1 3 319.453 0.637 20 0 DCADHO Cn1cc(CC[N@@H+](CCNC(=O)[C@H]2CCCN2C)C2CC2)cn1 ZINC001366739853 954746394 /nfs/dbraw/zinc/74/63/94/954746394.db2.gz WCXBCZWXAAUKFK-MRXNPFEDSA-N 1 3 319.453 0.637 20 0 DCADHO CN(CCN[C@H]1CCN(C(C)(C)C)C1=O)C(=O)CC[NH+](C)C ZINC001366777942 954829883 /nfs/dbraw/zinc/82/98/83/954829883.db2.gz SQJHFEWZTPAYAL-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001349822117 954898340 /nfs/dbraw/zinc/89/83/40/954898340.db2.gz UAAFYGMUIJNOQP-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001349822117 954898349 /nfs/dbraw/zinc/89/83/49/954898349.db2.gz UAAFYGMUIJNOQP-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCN1CCN(CC2CC2)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001366857866 954942352 /nfs/dbraw/zinc/94/23/52/954942352.db2.gz FVNTUZWIMHYRSM-UHFFFAOYSA-N 1 3 322.497 0.814 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCCC1 ZINC001367143410 955392842 /nfs/dbraw/zinc/39/28/42/955392842.db2.gz WZVFNSYAXGOAGF-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1CCCC[C@]1(C[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001367200513 955454671 /nfs/dbraw/zinc/45/46/71/955454671.db2.gz XGDRINUAFAHGCA-CXAGYDPISA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367213959 955466571 /nfs/dbraw/zinc/46/65/71/955466571.db2.gz NRBPQMBPJAIQDF-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](C(N)=O)N1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001367213959 955466578 /nfs/dbraw/zinc/46/65/78/955466578.db2.gz NRBPQMBPJAIQDF-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001367217058 955469446 /nfs/dbraw/zinc/46/94/46/955469446.db2.gz NPPIGTRVBFAEQV-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H]4CCO[C@@H]4C3=O)C[C@H]2C1 ZINC001352761940 955754791 /nfs/dbraw/zinc/75/47/91/955754791.db2.gz SLEGENGMHQPNIX-JKJDWNRSSA-N 1 3 307.438 0.853 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001285556871 955793476 /nfs/dbraw/zinc/79/34/76/955793476.db2.gz FIOSGKWEFJTSBH-WLBISTCBSA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001285556871 955793473 /nfs/dbraw/zinc/79/34/73/955793473.db2.gz FIOSGKWEFJTSBH-WLBISTCBSA-N 1 3 324.469 0.313 20 0 DCADHO CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH3+])C[C@@H]21 ZINC001352845848 955795428 /nfs/dbraw/zinc/79/54/28/955795428.db2.gz SFQZMDOMEWPTOS-OCCSQVGLSA-N 1 3 302.378 0.246 20 0 DCADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001355281488 956625636 /nfs/dbraw/zinc/62/56/36/956625636.db2.gz XXAZYKNAZXBDIH-CABCVRRESA-N 1 3 317.499 0.427 20 0 DCADHO CC(C)N(C)CC(=O)NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001294131110 957484417 /nfs/dbraw/zinc/48/44/17/957484417.db2.gz HNVNRWXFDHXCLC-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001294131110 957484422 /nfs/dbraw/zinc/48/44/22/957484422.db2.gz HNVNRWXFDHXCLC-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001367367003 957725772 /nfs/dbraw/zinc/72/57/72/957725772.db2.gz VRCSEGGJJXKTCZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367414254 957787590 /nfs/dbraw/zinc/78/75/90/957787590.db2.gz MPCDIXAXOVQTOJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367426795 957801989 /nfs/dbraw/zinc/80/19/89/957801989.db2.gz VBGSDEYRNPLJIB-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367426795 957801993 /nfs/dbraw/zinc/80/19/93/957801993.db2.gz VBGSDEYRNPLJIB-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C(C)C ZINC001367448756 957819496 /nfs/dbraw/zinc/81/94/96/957819496.db2.gz OGRNSWOCHAFYCH-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001367486427 957879652 /nfs/dbraw/zinc/87/96/52/957879652.db2.gz NKIFCTYDOOMENM-ZBFHGGJFSA-N 1 3 321.469 0.992 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNCc1cccnc1 ZINC001367634459 958232339 /nfs/dbraw/zinc/23/23/39/958232339.db2.gz YYBITSWZVJYATD-INIZCTEOSA-N 1 3 320.437 0.524 20 0 DCADHO Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001367674522 958329745 /nfs/dbraw/zinc/32/97/45/958329745.db2.gz DGSOABQNPWWUKR-MFKMUULPSA-N 1 3 322.409 0.754 20 0 DCADHO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1ccn(C)n1 ZINC001367674479 958332675 /nfs/dbraw/zinc/33/26/75/958332675.db2.gz ZSHKNCFIIULCQR-OLZOCXBDSA-N 1 3 323.441 0.218 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001367709179 958416638 /nfs/dbraw/zinc/41/66/38/958416638.db2.gz QIHQARQGVKOMBT-CZUORRHYSA-N 1 3 322.453 0.566 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001367755912 958509146 /nfs/dbraw/zinc/50/91/46/958509146.db2.gz QIHQARQGVKOMBT-XJKSGUPXSA-N 1 3 322.453 0.566 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)CCC[NH+](C)C ZINC001298309083 958536913 /nfs/dbraw/zinc/53/69/13/958536913.db2.gz BKNCJSPVNOAEAA-NNTXTVRGSA-N 1 3 310.442 0.211 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367769925 958537100 /nfs/dbraw/zinc/53/71/00/958537100.db2.gz CCIICNUSGNTSJM-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298313080 958540880 /nfs/dbraw/zinc/54/08/80/958540880.db2.gz SQKPGKPBXKLDEG-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298313080 958540896 /nfs/dbraw/zinc/54/08/96/958540896.db2.gz SQKPGKPBXKLDEG-OVNWPICBSA-N 1 3 322.453 0.211 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NCC2(NCC(N)=O)CCC2)cc1 ZINC001376795464 958863326 /nfs/dbraw/zinc/86/33/26/958863326.db2.gz ICHWKYDWSDGCQC-UHFFFAOYSA-N 1 3 318.421 0.476 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001491578826 958871972 /nfs/dbraw/zinc/87/19/72/958871972.db2.gz HJSFCRPNXBMRQG-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001491578830 958873323 /nfs/dbraw/zinc/87/33/23/958873323.db2.gz HJSFCRPNXBMRQG-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001491632265 958975848 /nfs/dbraw/zinc/97/58/48/958975848.db2.gz RMPJOVXNRIIHAR-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001491632265 958975854 /nfs/dbraw/zinc/97/58/54/958975854.db2.gz RMPJOVXNRIIHAR-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001491650964 959014514 /nfs/dbraw/zinc/01/45/14/959014514.db2.gz OEWXGIBHIZOQTL-YPMHNXCESA-N 1 3 321.425 0.271 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC001368007534 959080707 /nfs/dbraw/zinc/08/07/07/959080707.db2.gz NUNJQGVLDADOSK-OLZOCXBDSA-N 1 3 310.442 0.042 20 0 DCADHO CCC(CC)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376896057 959083290 /nfs/dbraw/zinc/08/32/90/959083290.db2.gz LWDNXKGOENVIGZ-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1)C(N)=O ZINC001368115405 959269523 /nfs/dbraw/zinc/26/95/23/959269523.db2.gz JYQRFVKKBQOXBE-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001377064950 959415652 /nfs/dbraw/zinc/41/56/52/959415652.db2.gz GGGJMKIMBGRKOJ-GJZGRUSLSA-N 1 3 321.469 0.789 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368251524 959517480 /nfs/dbraw/zinc/51/74/80/959517480.db2.gz PQWHDDPQBZQVNP-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368251524 959517492 /nfs/dbraw/zinc/51/74/92/959517492.db2.gz PQWHDDPQBZQVNP-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001377206831 959694595 /nfs/dbraw/zinc/69/45/95/959694595.db2.gz HQRQCIMHDYLNFI-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc(CO)c1 ZINC001362655913 959775741 /nfs/dbraw/zinc/77/57/41/959775741.db2.gz GLDIWASADHGVTB-ZDUSSCGKSA-N 1 3 308.426 0.576 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc(CO)c1 ZINC001362655913 959775761 /nfs/dbraw/zinc/77/57/61/959775761.db2.gz GLDIWASADHGVTB-ZDUSSCGKSA-N 1 3 308.426 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001377264774 959822058 /nfs/dbraw/zinc/82/20/58/959822058.db2.gz HNURYQCYTAIJLD-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)nn1 ZINC001368407797 959825351 /nfs/dbraw/zinc/82/53/51/959825351.db2.gz CSXPIDPIZIGYQL-HDJSIYSDSA-N 1 3 322.457 0.531 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001368452776 959884864 /nfs/dbraw/zinc/88/48/64/959884864.db2.gz WTRPVOIZPKONSJ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001368452776 959884871 /nfs/dbraw/zinc/88/48/71/959884871.db2.gz WTRPVOIZPKONSJ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC/C=C\Cl)C1 ZINC001368617071 960094374 /nfs/dbraw/zinc/09/43/74/960094374.db2.gz BHCLXUQTNMMAGA-HJHHMULASA-N 1 3 303.834 0.634 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)C1)C(N)=O ZINC001368642935 960115614 /nfs/dbraw/zinc/11/56/14/960115614.db2.gz WNPSGVGJOIIHEY-HZSPNIEDSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001368664259 960136911 /nfs/dbraw/zinc/13/69/11/960136911.db2.gz HEOZXFQSETWEHT-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC001377461903 960140796 /nfs/dbraw/zinc/14/07/96/960140796.db2.gz LLSVKCOCGNHIOB-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC001377461903 960140803 /nfs/dbraw/zinc/14/08/03/960140803.db2.gz LLSVKCOCGNHIOB-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001368749107 960223415 /nfs/dbraw/zinc/22/34/15/960223415.db2.gz MNGXWSDRHSTTNQ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001368749107 960223420 /nfs/dbraw/zinc/22/34/20/960223420.db2.gz MNGXWSDRHSTTNQ-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1(CO)CC[NH+]([C@H](C)COC)CC1 ZINC001368771343 960251932 /nfs/dbraw/zinc/25/19/32/960251932.db2.gz JZNARHWIMONENO-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001368818650 960313470 /nfs/dbraw/zinc/31/34/70/960313470.db2.gz PESJEGHPYDRMMQ-ZBCRRDGASA-N 1 3 321.469 0.991 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377596600 960338200 /nfs/dbraw/zinc/33/82/00/960338200.db2.gz ZGQZHDXGDMMWID-STQMWFEESA-N 1 3 316.421 0.122 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377602109 960345774 /nfs/dbraw/zinc/34/57/74/960345774.db2.gz BKBGMZNCHOBRMB-SWLSCSKDSA-N 1 3 324.425 0.176 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cncn1C ZINC001378260328 960445767 /nfs/dbraw/zinc/44/57/67/960445767.db2.gz UNZIITDEQIXGMU-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cncn1C ZINC001378260328 960445777 /nfs/dbraw/zinc/44/57/77/960445777.db2.gz UNZIITDEQIXGMU-UMVBOHGHSA-N 1 3 307.442 0.745 20 0 DCADHO Cn1cncc1CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001377718601 960497585 /nfs/dbraw/zinc/49/75/85/960497585.db2.gz JFPNWNCISUKSRP-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cncc1CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001377718601 960497591 /nfs/dbraw/zinc/49/75/91/960497591.db2.gz JFPNWNCISUKSRP-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCn2cccn2)C1 ZINC001377761439 960591419 /nfs/dbraw/zinc/59/14/19/960591419.db2.gz YXEUSEUMDMKPRD-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCn2cccn2)C1 ZINC001377761439 960591427 /nfs/dbraw/zinc/59/14/27/960591427.db2.gz YXEUSEUMDMKPRD-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377774286 960626610 /nfs/dbraw/zinc/62/66/10/960626610.db2.gz XQPHYZFMLDNARR-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C(=O)N(C)C)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001377774286 960626619 /nfs/dbraw/zinc/62/66/19/960626619.db2.gz XQPHYZFMLDNARR-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001377806169 960701379 /nfs/dbraw/zinc/70/13/79/960701379.db2.gz LEDVBPOHCRCNIQ-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](NCc1cnn(C)c1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001377853347 960819853 /nfs/dbraw/zinc/81/98/53/960819853.db2.gz UKZIQWCOZILHCU-STQMWFEESA-N 1 3 307.442 0.745 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001378544105 960979720 /nfs/dbraw/zinc/97/97/20/960979720.db2.gz JYXPXLKPWKFSEF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CC[C@@H](C)C1 ZINC001378544105 960979735 /nfs/dbraw/zinc/97/97/35/960979735.db2.gz JYXPXLKPWKFSEF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1nccn1C ZINC001378576223 961057473 /nfs/dbraw/zinc/05/74/73/961057473.db2.gz YBAFQQGDDXDBLJ-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CCC3CC[NH2+]CC3)C2)nn1 ZINC001549046925 1013245948 /nfs/dbraw/zinc/24/59/48/1013245948.db2.gz DGBKAJOGJDTFDH-HNNXBMFYSA-N 1 3 320.441 0.680 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCc1cnn(C)c1 ZINC001378067621 961359623 /nfs/dbraw/zinc/35/96/23/961359623.db2.gz YDVWAXJZWQURBE-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCc1cnn(C)c1 ZINC001378067621 961359640 /nfs/dbraw/zinc/35/96/40/961359640.db2.gz YDVWAXJZWQURBE-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001378121877 961474133 /nfs/dbraw/zinc/47/41/33/961474133.db2.gz JWNRYBARSZFLSA-LBPRGKRZSA-N 1 3 310.446 0.283 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001378818726 961543486 /nfs/dbraw/zinc/54/34/86/961543486.db2.gz WHGJXOKPLCFCOT-KGLIPLIRSA-N 1 3 314.474 0.630 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001378834719 961568316 /nfs/dbraw/zinc/56/83/16/961568316.db2.gz QMYXUALDFDBVFP-ABAIWWIYSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001378834719 961568330 /nfs/dbraw/zinc/56/83/30/961568330.db2.gz QMYXUALDFDBVFP-ABAIWWIYSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001378834719 961568340 /nfs/dbraw/zinc/56/83/40/961568340.db2.gz QMYXUALDFDBVFP-ABAIWWIYSA-N 1 3 316.421 0.121 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378867836 961631976 /nfs/dbraw/zinc/63/19/76/961631976.db2.gz PJPZSMRJRLBZKT-YDHLFZDLSA-N 1 3 312.458 0.193 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001378962845 961772959 /nfs/dbraw/zinc/77/29/59/961772959.db2.gz OGLGGXJWXNSXKR-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cccn1 ZINC001379045835 961965567 /nfs/dbraw/zinc/96/55/67/961965567.db2.gz MUDHRLUYNYFDGL-CVEARBPZSA-N 1 3 321.469 0.955 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccsn1 ZINC001363924928 962135018 /nfs/dbraw/zinc/13/50/18/962135018.db2.gz LZLCTNAQAVTOIG-LBPRGKRZSA-N 1 3 314.455 0.910 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccsn1 ZINC001363924928 962135029 /nfs/dbraw/zinc/13/50/29/962135029.db2.gz LZLCTNAQAVTOIG-LBPRGKRZSA-N 1 3 314.455 0.910 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cnnn2C)C2CC2)CC[N@@H+]1C ZINC001379854837 962148521 /nfs/dbraw/zinc/14/85/21/962148521.db2.gz HWCVLDZVLVMGBW-KCPJHIHWSA-N 1 3 320.441 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCc2cnnn2C)C2CC2)CC[N@H+]1C ZINC001379854837 962148530 /nfs/dbraw/zinc/14/85/30/962148530.db2.gz HWCVLDZVLVMGBW-KCPJHIHWSA-N 1 3 320.441 0.140 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001379155793 962215966 /nfs/dbraw/zinc/21/59/66/962215966.db2.gz OYTNRSMBINXMIQ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1 ZINC001379210386 962373853 /nfs/dbraw/zinc/37/38/53/962373853.db2.gz ZOQJYIKLIUFMTG-MRXNPFEDSA-N 1 3 320.437 0.441 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001379237838 962435322 /nfs/dbraw/zinc/43/53/22/962435322.db2.gz CLZQXKQMZQYJMN-CZUORRHYSA-N 1 3 315.433 0.676 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001379242253 962447676 /nfs/dbraw/zinc/44/76/76/962447676.db2.gz PGDBJMRPDOHPCL-CHWSQXEVSA-N 1 3 321.412 0.685 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001379256621 962475433 /nfs/dbraw/zinc/47/54/33/962475433.db2.gz ULZICTQGWCZMQF-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001379321030 962618746 /nfs/dbraw/zinc/61/87/46/962618746.db2.gz QTEKZKYBPUVTJL-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C(C)(C)C ZINC001380097207 962663145 /nfs/dbraw/zinc/66/31/45/962663145.db2.gz WEZBRWJBOBKGMK-CHWSQXEVSA-N 1 3 312.458 0.336 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001380163675 962806506 /nfs/dbraw/zinc/80/65/06/962806506.db2.gz NDMZWKIOZWCEHG-CYBMUJFWSA-N 1 3 306.410 0.926 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001380171677 962819898 /nfs/dbraw/zinc/81/98/98/962819898.db2.gz MLWGQAYFTLQINJ-NFOMZHRRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001380182847 962835138 /nfs/dbraw/zinc/83/51/38/962835138.db2.gz PSKRWHQWBXWTBR-KFWWJZLASA-N 1 3 309.454 0.774 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001379431805 962908307 /nfs/dbraw/zinc/90/83/07/962908307.db2.gz IOIBPNIGDZYRGU-KFWWJZLASA-N 1 3 315.458 0.351 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001380288821 962996203 /nfs/dbraw/zinc/99/62/03/962996203.db2.gz YLZWECPNURZIOF-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@H](CNCC(N)=O)C2CCCC2)CC1 ZINC001380328064 963045778 /nfs/dbraw/zinc/04/57/78/963045778.db2.gz MTXHMUUNMXVYJC-OAHLLOKOSA-N 1 3 324.469 0.468 20 0 DCADHO CCn1cc(CCN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cn1 ZINC001380351217 963087686 /nfs/dbraw/zinc/08/76/86/963087686.db2.gz FGXYQDILAPZERX-QGZVFWFLSA-N 1 3 321.469 0.978 20 0 DCADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001380404530 963163278 /nfs/dbraw/zinc/16/32/78/963163278.db2.gz HCYCIYFSUMHBCV-GOEBONIOSA-N 1 3 312.458 0.147 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001379591103 963229438 /nfs/dbraw/zinc/22/94/38/963229438.db2.gz GZUZCTVOXOUHCB-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC(N)=O ZINC001380692704 963493485 /nfs/dbraw/zinc/49/34/85/963493485.db2.gz UUMSTOQYGRVIIL-OLZOCXBDSA-N 1 3 312.458 0.134 20 0 DCADHO C[NH+](C)CCCC(=O)NCC1(NCC(=O)N2CCC2)CCC1 ZINC001380875059 963649547 /nfs/dbraw/zinc/64/95/47/963649547.db2.gz ANRYGLZPLSSANN-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCN2CCCC2=O)CCC1)N(C)C ZINC001380879319 963653139 /nfs/dbraw/zinc/65/31/39/963653139.db2.gz JYQVEFDAJQWMFG-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001380942947 963700149 /nfs/dbraw/zinc/70/01/49/963700149.db2.gz YACQECCMQHWXSV-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001380942947 963700153 /nfs/dbraw/zinc/70/01/53/963700153.db2.gz YACQECCMQHWXSV-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001381233190 963910646 /nfs/dbraw/zinc/91/06/46/963910646.db2.gz DOZVKAGIKGGSBH-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO COCCN(C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001375130260 964024626 /nfs/dbraw/zinc/02/46/26/964024626.db2.gz ADLLPQDZEQQAJF-ZDUSSCGKSA-N 1 3 301.431 0.180 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001447548860 1013469612 /nfs/dbraw/zinc/46/96/12/1013469612.db2.gz URAVORPWOIRDMP-OLZOCXBDSA-N 1 3 312.458 0.147 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001368991053 964253550 /nfs/dbraw/zinc/25/35/50/964253550.db2.gz CUQBQSNIFCVSLQ-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001368991053 964253560 /nfs/dbraw/zinc/25/35/60/964253560.db2.gz CUQBQSNIFCVSLQ-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001447620860 1013484632 /nfs/dbraw/zinc/48/46/32/1013484632.db2.gz SSFGYYISQINGKJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001369195915 964510992 /nfs/dbraw/zinc/51/09/92/964510992.db2.gz RABPDVDIQCIDGW-KGLIPLIRSA-N 1 3 324.469 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)C1 ZINC001369211772 964532307 /nfs/dbraw/zinc/53/23/07/964532307.db2.gz HNGBNCZYDVUZHE-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)C1 ZINC001369211772 964532312 /nfs/dbraw/zinc/53/23/12/964532312.db2.gz HNGBNCZYDVUZHE-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001369230768 964558129 /nfs/dbraw/zinc/55/81/29/964558129.db2.gz CIRVEHOMUAPVST-SWLSCSKDSA-N 1 3 307.442 0.759 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C)[NH+](C)C ZINC001369255855 964608545 /nfs/dbraw/zinc/60/85/45/964608545.db2.gz NUWYKCYTQGUZJM-OCCSQVGLSA-N 1 3 300.447 0.097 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001373833867 964692547 /nfs/dbraw/zinc/69/25/47/964692547.db2.gz URAZQIVYRACOHZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001373833867 964692555 /nfs/dbraw/zinc/69/25/55/964692555.db2.gz URAZQIVYRACOHZ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001375731623 964769075 /nfs/dbraw/zinc/76/90/75/964769075.db2.gz GOYFTIIUAKBMQN-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001373921111 964785504 /nfs/dbraw/zinc/78/55/04/964785504.db2.gz OIPBGKKFAORNQT-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cccc(C[NH2+][C@H](CO)CNC(=O)CN2CC[C@H](C)C2)c1 ZINC001369362739 964829339 /nfs/dbraw/zinc/82/93/39/964829339.db2.gz LOHHMTNWBASVID-RDJZCZTQSA-N 1 3 319.449 0.904 20 0 DCADHO CN1CC[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)C1=O ZINC001375791144 964840868 /nfs/dbraw/zinc/84/08/68/964840868.db2.gz DTJXPHTWNUOREY-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001369379834 964858356 /nfs/dbraw/zinc/85/83/56/964858356.db2.gz DYAJIDKDZVOGBS-HUUCEWRRSA-N 1 3 321.421 0.214 20 0 DCADHO COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001369379834 964858361 /nfs/dbraw/zinc/85/83/61/964858361.db2.gz DYAJIDKDZVOGBS-HUUCEWRRSA-N 1 3 321.421 0.214 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)C(C)(C)C1 ZINC001369455459 965005932 /nfs/dbraw/zinc/00/59/32/965005932.db2.gz IVRRKZNDYHEMPA-CHWSQXEVSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001374099962 965014029 /nfs/dbraw/zinc/01/40/29/965014029.db2.gz SHILRHQIWBUJDV-UKRRQHHQSA-N 1 3 322.453 0.567 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001375987466 965045055 /nfs/dbraw/zinc/04/50/55/965045055.db2.gz ICXFBVBBEFZLEB-ZDUSSCGKSA-N 1 3 321.412 0.784 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccnc1C)N(C)C ZINC001369477363 965045207 /nfs/dbraw/zinc/04/52/07/965045207.db2.gz IVKMDUOBHZYGPL-JKSUJKDBSA-N 1 3 322.453 0.639 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001369577916 965188926 /nfs/dbraw/zinc/18/89/26/965188926.db2.gz HKQWCAYPQAMVFO-PIMMBPRGSA-N 1 3 322.457 0.717 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001374280193 965217807 /nfs/dbraw/zinc/21/78/07/965217807.db2.gz LSNDWZSQJFMMGX-CYBMUJFWSA-N 1 3 314.474 0.489 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001369752182 965356022 /nfs/dbraw/zinc/35/60/22/965356022.db2.gz IGNMLPVZRSYZHA-ZFWWWQNUSA-N 1 3 317.449 0.970 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001376266735 965456495 /nfs/dbraw/zinc/45/64/95/965456495.db2.gz AQMNCQIIRQNBHI-ZIAGYGMSSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001374526177 965484097 /nfs/dbraw/zinc/48/40/97/965484097.db2.gz SIJJWDYBVMCWHD-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001374526177 965484108 /nfs/dbraw/zinc/48/41/08/965484108.db2.gz SIJJWDYBVMCWHD-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001376288841 965484736 /nfs/dbraw/zinc/48/47/36/965484736.db2.gz BRWSMTGNCIHUPJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001376288841 965484740 /nfs/dbraw/zinc/48/47/40/965484740.db2.gz BRWSMTGNCIHUPJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCN(C)C(=O)CC[NH+](C)C)C[C@H]1CCc2ncnn21 ZINC001374531611 965492719 /nfs/dbraw/zinc/49/27/19/965492719.db2.gz WWTGNFCWEXCOQC-CYBMUJFWSA-N 1 3 308.430 0.107 20 0 DCADHO CCN(C)C(C)(C)C(=O)N(C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001369935577 965583498 /nfs/dbraw/zinc/58/34/98/965583498.db2.gz CSBZGRKDKQMXPC-CYBMUJFWSA-N 1 3 314.474 0.632 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001374600098 965614144 /nfs/dbraw/zinc/61/41/44/965614144.db2.gz LZJXQFUIDACDMO-JKSUJKDBSA-N 1 3 320.437 0.521 20 0 DCADHO O=C(NC[C@@H](O)CNCc1ccns1)[C@@H]1C[NH+]2CCC1CC2 ZINC001374606064 965625682 /nfs/dbraw/zinc/62/56/82/965625682.db2.gz RAGSINTVJHUIQX-GXTWGEPZSA-N 1 3 324.450 0.052 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cncc(F)c2)CCC1 ZINC001374618795 965645390 /nfs/dbraw/zinc/64/53/90/965645390.db2.gz XFAKSYQRMPNZEU-CQSZACIVSA-N 1 3 324.400 0.272 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001374669023 965731831 /nfs/dbraw/zinc/73/18/31/965731831.db2.gz NSOXLXMKFZQEII-ZDUSSCGKSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001374669023 965731850 /nfs/dbraw/zinc/73/18/50/965731850.db2.gz NSOXLXMKFZQEII-ZDUSSCGKSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)CCC[NH+]2CCCC2)C1)N(C)C ZINC001374671362 965735418 /nfs/dbraw/zinc/73/54/18/965735418.db2.gz JUYUEDKNXCIORI-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001376496125 965739137 /nfs/dbraw/zinc/73/91/37/965739137.db2.gz XHVYTRHUPUROJY-GASCZTMLSA-N 1 3 307.442 0.541 20 0 DCADHO CC[C@H]([NH2+]CCN(CC)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001374721216 965812547 /nfs/dbraw/zinc/81/25/47/965812547.db2.gz FZZJVAPRTZLHPG-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001376558458 965826537 /nfs/dbraw/zinc/82/65/37/965826537.db2.gz CRDMCOOPSJYXRS-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001447861692 1013606528 /nfs/dbraw/zinc/60/65/28/1013606528.db2.gz DBPASJDKULXUCN-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H](C)C(N)=O ZINC001376612838 965892824 /nfs/dbraw/zinc/89/28/24/965892824.db2.gz QVKSJCQFYUWWNF-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@H](C)C(N)=O ZINC001376612838 965892828 /nfs/dbraw/zinc/89/28/28/965892828.db2.gz QVKSJCQFYUWWNF-KGLIPLIRSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374777493 965903149 /nfs/dbraw/zinc/90/31/49/965903149.db2.gz UNAPSJBTKUWIPD-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001374811787 965965733 /nfs/dbraw/zinc/96/57/33/965965733.db2.gz TUKQDOVIWWPEHI-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)[C@@H](C)C(N)=O)C1 ZINC001370311439 965996207 /nfs/dbraw/zinc/99/62/07/965996207.db2.gz HBJINFFAFWTWHR-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC001370311439 965996216 /nfs/dbraw/zinc/99/62/16/965996216.db2.gz HBJINFFAFWTWHR-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1)C1CCC1 ZINC001370481778 966172995 /nfs/dbraw/zinc/17/29/95/966172995.db2.gz HJXURGPPFHVTEP-HDJSIYSDSA-N 1 3 319.453 0.684 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001430626730 1013632621 /nfs/dbraw/zinc/63/26/21/1013632621.db2.gz GQYFAIBDNQTNFO-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001381435539 966415373 /nfs/dbraw/zinc/41/53/73/966415373.db2.gz HTJKQSFDWCXBLK-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1ccnn1C ZINC001381453115 966429502 /nfs/dbraw/zinc/42/95/02/966429502.db2.gz NJNOZDZBAPPYIS-VXGBXAGGSA-N 1 3 318.425 0.720 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001381521486 966494903 /nfs/dbraw/zinc/49/49/03/966494903.db2.gz YGNYNYZISRBVPK-HUUCEWRRSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001381521486 966494906 /nfs/dbraw/zinc/49/49/06/966494906.db2.gz YGNYNYZISRBVPK-HUUCEWRRSA-N 1 3 322.457 0.587 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H](CNCc2cnns2)C1 ZINC001370826705 966518573 /nfs/dbraw/zinc/51/85/73/966518573.db2.gz DFUPNWVEMKASBO-LBPRGKRZSA-N 1 3 311.455 0.818 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001370966772 966627444 /nfs/dbraw/zinc/62/74/44/966627444.db2.gz RQLMIUWFBJUQPD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001370966772 966627451 /nfs/dbraw/zinc/62/74/51/966627451.db2.gz RQLMIUWFBJUQPD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21)N(C)C ZINC001371027536 966678514 /nfs/dbraw/zinc/67/85/14/966678514.db2.gz WRHMPVLCXACEDN-OWYFMNJBSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21)N(C)C ZINC001371027536 966678518 /nfs/dbraw/zinc/67/85/18/966678518.db2.gz WRHMPVLCXACEDN-OWYFMNJBSA-N 1 3 309.454 0.942 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001381924226 966783301 /nfs/dbraw/zinc/78/33/01/966783301.db2.gz GNCATNBGWOVQFG-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C(C)C)C[C@@H]2C1 ZINC001381924226 966783304 /nfs/dbraw/zinc/78/33/04/966783304.db2.gz GNCATNBGWOVQFG-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001371183251 966790988 /nfs/dbraw/zinc/79/09/88/966790988.db2.gz YCTWQSHYKRENAG-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001371183251 966790995 /nfs/dbraw/zinc/79/09/95/966790995.db2.gz YCTWQSHYKRENAG-DZGCQCFKSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)NC1CC1 ZINC001371211083 966816963 /nfs/dbraw/zinc/81/69/63/966816963.db2.gz ISFLENVRMGPPAC-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)NC1CC1 ZINC001371211083 966816967 /nfs/dbraw/zinc/81/69/67/966816967.db2.gz ISFLENVRMGPPAC-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001382037173 966880725 /nfs/dbraw/zinc/88/07/25/966880725.db2.gz WHBLDVLAAVKVJA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001382037173 966880729 /nfs/dbraw/zinc/88/07/29/966880729.db2.gz WHBLDVLAAVKVJA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001382038666 966883317 /nfs/dbraw/zinc/88/33/17/966883317.db2.gz MVFRIQDKBQQQNM-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001382066653 966911389 /nfs/dbraw/zinc/91/13/89/966911389.db2.gz JGPLSCKDEVVLKJ-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001382066653 966911397 /nfs/dbraw/zinc/91/13/97/966911397.db2.gz JGPLSCKDEVVLKJ-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001371354898 966927261 /nfs/dbraw/zinc/92/72/61/966927261.db2.gz WBHMNGSJYIHVHW-TZMCWYRMSA-N 1 3 300.447 0.192 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCCNC1=O ZINC001382130054 966967406 /nfs/dbraw/zinc/96/74/06/966967406.db2.gz WFXVQROTZFKVTF-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001382163653 966995822 /nfs/dbraw/zinc/99/58/22/966995822.db2.gz HWTFKDIVJDZZME-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCC(=O)N1CCC1 ZINC001371470295 967019107 /nfs/dbraw/zinc/01/91/07/967019107.db2.gz XTXGFKUSGLZESR-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382204920 967065841 /nfs/dbraw/zinc/06/58/41/967065841.db2.gz JVHMRTSUJWUPHA-ZDUSSCGKSA-N 1 3 314.474 0.632 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001371520477 967072832 /nfs/dbraw/zinc/07/28/32/967072832.db2.gz KUAKITUOPWJCEP-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCC[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001371533225 967090494 /nfs/dbraw/zinc/09/04/94/967090494.db2.gz RVQZSVXOJTZCFM-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001371568674 967129389 /nfs/dbraw/zinc/12/93/89/967129389.db2.gz HELXFGOSABJPRF-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001371677396 967235917 /nfs/dbraw/zinc/23/59/17/967235917.db2.gz NTTDZFGJRIZBSY-KBPBESRZSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001371677396 967235925 /nfs/dbraw/zinc/23/59/25/967235925.db2.gz NTTDZFGJRIZBSY-KBPBESRZSA-N 1 3 303.422 0.581 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001382344601 967244040 /nfs/dbraw/zinc/24/40/40/967244040.db2.gz LBNWNYSCILAKQQ-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001382374540 967285441 /nfs/dbraw/zinc/28/54/41/967285441.db2.gz DURFYXSCLCFECZ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1cnn(C)c1 ZINC001371965395 967495331 /nfs/dbraw/zinc/49/53/31/967495331.db2.gz UJHOKVCYZUNPPH-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1cnn(C)c1 ZINC001371965395 967495342 /nfs/dbraw/zinc/49/53/42/967495342.db2.gz UJHOKVCYZUNPPH-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001382564537 967499604 /nfs/dbraw/zinc/49/96/04/967499604.db2.gz MHVQHPPIAVZQGW-RUXDESIVSA-N 1 3 310.442 0.184 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001371984820 967517020 /nfs/dbraw/zinc/51/70/20/967517020.db2.gz GUPXSCWFELNFLT-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001371984820 967517024 /nfs/dbraw/zinc/51/70/24/967517024.db2.gz GUPXSCWFELNFLT-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001382581998 967516940 /nfs/dbraw/zinc/51/69/40/967516940.db2.gz IQMLBFZZJYAFKV-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001382580592 967517116 /nfs/dbraw/zinc/51/71/16/967517116.db2.gz WWZVZKNVSGKBCN-RUXDESIVSA-N 1 3 322.453 0.328 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001372041451 967592205 /nfs/dbraw/zinc/59/22/05/967592205.db2.gz HJEUHGRURSDUGK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001372041451 967592216 /nfs/dbraw/zinc/59/22/16/967592216.db2.gz HJEUHGRURSDUGK-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC)N(C)C ZINC001372734517 968303426 /nfs/dbraw/zinc/30/34/26/968303426.db2.gz OCIJSPVTFQJADG-KNCOVGOOSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC)N(C)C ZINC001372734517 968303434 /nfs/dbraw/zinc/30/34/34/968303434.db2.gz OCIJSPVTFQJADG-KNCOVGOOSA-N 1 3 324.469 0.241 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCN1C ZINC001373527669 969189205 /nfs/dbraw/zinc/18/92/05/969189205.db2.gz ZCPJMZRJDXZAAC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCCN1C ZINC001373527669 969189214 /nfs/dbraw/zinc/18/92/14/969189214.db2.gz ZCPJMZRJDXZAAC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001431271177 1013975323 /nfs/dbraw/zinc/97/53/23/1013975323.db2.gz QGZWCOGNLDKLTP-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001448678981 1013993507 /nfs/dbraw/zinc/99/35/07/1013993507.db2.gz LNPLDWZTGZMAKO-OLZOCXBDSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC(=O)NC1CC1 ZINC001448749970 1014022713 /nfs/dbraw/zinc/02/27/13/1014022713.db2.gz LLVUIXYABNQBSU-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001448761575 1014028889 /nfs/dbraw/zinc/02/88/89/1014028889.db2.gz UJNWKMHIKWPVGB-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001522466969 1014129299 /nfs/dbraw/zinc/12/92/99/1014129299.db2.gz CMMVLUZHDJSKLR-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549121599 1014138528 /nfs/dbraw/zinc/13/85/28/1014138528.db2.gz HRFRXRCLVLOTKE-JLJPHGGASA-N 1 3 301.390 0.226 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3CCC[C@@H]3[NH3+])C2)nn1 ZINC001549124844 1014142285 /nfs/dbraw/zinc/14/22/85/1014142285.db2.gz WCXBARHQLCBSBS-YUTCNCBUSA-N 1 3 306.414 0.418 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3CC[NH2+]C[C@H]3F)C2)nn1 ZINC001549292423 1014197958 /nfs/dbraw/zinc/19/79/58/1014197958.db2.gz CCOOHENHGJHWAA-IACUBPJLSA-N 1 3 324.404 0.238 20 0 DCADHO COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001449136576 1014228223 /nfs/dbraw/zinc/22/82/23/1014228223.db2.gz RXDJAJYLYFKBCD-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC[C@@H](C)C1 ZINC001522694371 1014304970 /nfs/dbraw/zinc/30/49/70/1014304970.db2.gz ZMQYYHDJACGHOO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)CN1CC[C@@H](C)C1 ZINC001522694371 1014304979 /nfs/dbraw/zinc/30/49/79/1014304979.db2.gz ZMQYYHDJACGHOO-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)[C@H](N)Cc3ccccc3)C[C@@H]2[NH3+])c1 ZINC001549734800 1014433754 /nfs/dbraw/zinc/43/37/54/1014433754.db2.gz GPUDXJKHCNGLKX-KFWWJZLASA-N 1 3 313.405 0.243 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]34CCC[C@H]3[NH2+]CC4)C2)nn1 ZINC001550062360 1014540392 /nfs/dbraw/zinc/54/03/92/1014540392.db2.gz JGVFSCHBYCHDTM-IIAWOOMASA-N 1 3 318.425 0.433 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccccc2F)C1 ZINC001550064291 1014543529 /nfs/dbraw/zinc/54/35/29/1014543529.db2.gz BQOMCMOFAQJVJL-TZMCWYRMSA-N 1 3 317.368 0.585 20 0 DCADHO N[C@@H](CC(F)F)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090085 1014560120 /nfs/dbraw/zinc/56/01/20/1014560120.db2.gz NAUUORCOPLMMMM-RYUDHWBXSA-N 1 3 305.369 0.586 20 0 DCADHO COc1ccc([C@@H]2CN(C(=O)C[C@H]3CNCCO3)C[C@@H]2[NH3+])cc1 ZINC001550103336 1014570698 /nfs/dbraw/zinc/57/06/98/1014570698.db2.gz VQZOMQJMCFNIMC-JYJNAYRXSA-N 1 3 319.405 0.327 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC001550118021 1014586734 /nfs/dbraw/zinc/58/67/34/1014586734.db2.gz RVGIHPAHNHUMJG-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CO[C@H](CN)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001550189880 1014616527 /nfs/dbraw/zinc/61/65/27/1014616527.db2.gz VWBUTRCXNRKZNT-OAHLLOKOSA-N 1 3 305.422 0.740 20 0 DCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200224 1014626164 /nfs/dbraw/zinc/62/61/64/1014626164.db2.gz DOHOQGQECKNFCZ-UONOGXRCSA-N 1 3 324.469 0.692 20 0 DCADHO CC(C)[C@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200109 1014626355 /nfs/dbraw/zinc/62/63/55/1014626355.db2.gz RSBBIGDUMRMIKK-ZDUSSCGKSA-N 1 3 310.442 0.302 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001550366902 1014682900 /nfs/dbraw/zinc/68/29/00/1014682900.db2.gz UPLYFZWCBVBVBX-DLBZAZTESA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001550366902 1014682904 /nfs/dbraw/zinc/68/29/04/1014682904.db2.gz UPLYFZWCBVBVBX-DLBZAZTESA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001550366903 1014683443 /nfs/dbraw/zinc/68/34/43/1014683443.db2.gz UPLYFZWCBVBVBX-IAGOWNOFSA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001550366903 1014683446 /nfs/dbraw/zinc/68/34/46/1014683446.db2.gz UPLYFZWCBVBVBX-IAGOWNOFSA-N 1 3 320.481 0.709 20 0 DCADHO CCCN(C)CC(=O)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001449869550 1014745091 /nfs/dbraw/zinc/74/50/91/1014745091.db2.gz YCJBFFBEANXXMV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001449869550 1014745100 /nfs/dbraw/zinc/74/51/00/1014745100.db2.gz YCJBFFBEANXXMV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC[C@@H](NC(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550764162 1014851727 /nfs/dbraw/zinc/85/17/27/1014851727.db2.gz ZPALBLHYSSTIBE-HUUCEWRRSA-N 1 3 324.469 0.929 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550912830 1014909756 /nfs/dbraw/zinc/90/97/56/1014909756.db2.gz LFOWZJVCGHOEMA-RBOXIYTFSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC001551099707 1014965438 /nfs/dbraw/zinc/96/54/38/1014965438.db2.gz DHOSZMOIPOGXQL-KLHDSHLOSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC001551099707 1014965460 /nfs/dbraw/zinc/96/54/60/1014965460.db2.gz DHOSZMOIPOGXQL-KLHDSHLOSA-N 1 3 309.454 0.774 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC001551529525 1015128953 /nfs/dbraw/zinc/12/89/53/1015128953.db2.gz XVYYCRSKXFAEAF-IMJJTQAJSA-N 1 3 318.421 0.631 20 0 DCADHO [NH3+][C@H]1CC12CCC(NC(=O)NC[C@@H]1CCCCN1CCO)CC2 ZINC001551569571 1015140904 /nfs/dbraw/zinc/14/09/04/1015140904.db2.gz LURVTKNYJQHVKY-GWUWNPHMSA-N 1 3 324.469 0.792 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001385198024 986151755 /nfs/dbraw/zinc/15/17/55/986151755.db2.gz ZYOJEVOJCSEDQL-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001385198024 986151756 /nfs/dbraw/zinc/15/17/56/986151756.db2.gz ZYOJEVOJCSEDQL-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385250395 986185544 /nfs/dbraw/zinc/18/55/44/986185544.db2.gz YYUCBGSKEVBATR-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385250395 986185549 /nfs/dbraw/zinc/18/55/49/986185549.db2.gz YYUCBGSKEVBATR-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385309676 986240877 /nfs/dbraw/zinc/24/08/77/986240877.db2.gz LZHFJOBNMCLMFC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001385309676 986240889 /nfs/dbraw/zinc/24/08/89/986240889.db2.gz LZHFJOBNMCLMFC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001385347152 986276066 /nfs/dbraw/zinc/27/60/66/986276066.db2.gz DAYALKPSYVOWAU-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001385347152 986276080 /nfs/dbraw/zinc/27/60/80/986276080.db2.gz DAYALKPSYVOWAU-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@H](NC(=O)N2C[C@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC001552063567 1015253744 /nfs/dbraw/zinc/25/37/44/1015253744.db2.gz SEHRFMNIMSYLCS-ARFHVFGLSA-N 1 3 324.469 0.975 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001386418432 987136733 /nfs/dbraw/zinc/13/67/33/987136733.db2.gz NRWKMFOMAUWRRT-LLVKDONJSA-N 1 3 321.425 0.223 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162267 1015296402 /nfs/dbraw/zinc/29/64/02/1015296402.db2.gz XTEJLFPLANPIMS-GFCCVEGCSA-N 1 3 313.365 0.106 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001387587670 987915721 /nfs/dbraw/zinc/91/57/21/987915721.db2.gz XRWPMVMOVHVXPU-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001387928133 988294331 /nfs/dbraw/zinc/29/43/31/988294331.db2.gz FSSAXTOYHMUSLN-LSDHHAIUSA-N 1 3 324.469 0.241 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001388548940 988399881 /nfs/dbraw/zinc/39/98/81/988399881.db2.gz HEZMBYGWSLZUDX-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001388703649 988526754 /nfs/dbraw/zinc/52/67/54/988526754.db2.gz OEHAGPRRETVOPT-ZNMIVQPWSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001388987024 988718433 /nfs/dbraw/zinc/71/84/33/988718433.db2.gz HVNOURGIDJHQMQ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC001389279027 989065006 /nfs/dbraw/zinc/06/50/06/989065006.db2.gz PELJMPJAFLIVKV-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)OCCN1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001389452378 989270048 /nfs/dbraw/zinc/27/00/48/989270048.db2.gz AOFIQVXOSUTVGD-HOTGVXAUSA-N 1 3 309.454 0.944 20 0 DCADHO Cn1cc(CN2CCC3(C[C@H]3NC(=O)CC[NH+](C)C)CC2)cn1 ZINC001389521946 989359810 /nfs/dbraw/zinc/35/98/10/989359810.db2.gz JXFRUPKIUBVKAD-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N1CC[C@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001389798281 989588308 /nfs/dbraw/zinc/58/83/08/989588308.db2.gz PYNIOZGFMZEHPU-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001389822564 989610556 /nfs/dbraw/zinc/61/05/56/989610556.db2.gz AOVPJKNDCWREGV-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001390161137 989878959 /nfs/dbraw/zinc/87/89/59/989878959.db2.gz SJAYEZFDOTUXNZ-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H]1CCc2ncnn21 ZINC001390407419 990072963 /nfs/dbraw/zinc/07/29/63/990072963.db2.gz UOEDSPCDZGMUFI-CHWSQXEVSA-N 1 3 320.441 0.344 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001390535258 990181046 /nfs/dbraw/zinc/18/10/46/990181046.db2.gz OTQXSCPYMCAOEA-CHWSQXEVSA-N 1 3 320.437 0.591 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001390593330 990228907 /nfs/dbraw/zinc/22/89/07/990228907.db2.gz OJGWTZZHVMGTOJ-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001390601221 990235347 /nfs/dbraw/zinc/23/53/47/990235347.db2.gz XCGMJDTVQFMBDO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001390649291 990275149 /nfs/dbraw/zinc/27/51/49/990275149.db2.gz UPKLUGRVTGBQNJ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(=O)N(C)C ZINC001390666407 990289377 /nfs/dbraw/zinc/28/93/77/990289377.db2.gz RVBXTMNERFVAFO-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001390671139 990291158 /nfs/dbraw/zinc/29/11/58/990291158.db2.gz KCZCQBTUVZTSAL-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001391210296 990670288 /nfs/dbraw/zinc/67/02/88/990670288.db2.gz PCQMQSGSUPUDCR-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001391210296 990670293 /nfs/dbraw/zinc/67/02/93/990670293.db2.gz PCQMQSGSUPUDCR-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CCN(C)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001391328773 990750944 /nfs/dbraw/zinc/75/09/44/990750944.db2.gz PBMUXJKKIWIRMJ-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001391328773 990750948 /nfs/dbraw/zinc/75/09/48/990750948.db2.gz PBMUXJKKIWIRMJ-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)CN1CCC[C@@H]1C ZINC001391332652 990754007 /nfs/dbraw/zinc/75/40/07/990754007.db2.gz NQNAPNZPDATFON-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001391353999 990774056 /nfs/dbraw/zinc/77/40/56/990774056.db2.gz NKRIAYMEJQTZFT-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001391353999 990774059 /nfs/dbraw/zinc/77/40/59/990774059.db2.gz NKRIAYMEJQTZFT-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(CCCN2CCCC2=O)C1 ZINC001391583252 990977603 /nfs/dbraw/zinc/97/76/03/990977603.db2.gz CQXQFJZHKSBGIO-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCNC1=O ZINC001391696020 991107039 /nfs/dbraw/zinc/10/70/39/991107039.db2.gz LHHPGCVYKAEMAL-KBPBESRZSA-N 1 3 322.453 0.235 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001392079325 991472749 /nfs/dbraw/zinc/47/27/49/991472749.db2.gz RMNPLOHQTTYDTR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2ccns2)C1 ZINC001392424436 991911514 /nfs/dbraw/zinc/91/15/14/991911514.db2.gz NZIHGDJGLMDHOQ-NEPJUHHUSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2ccns2)C1 ZINC001392424436 991911518 /nfs/dbraw/zinc/91/15/18/991911518.db2.gz NZIHGDJGLMDHOQ-NEPJUHHUSA-N 1 3 312.439 0.052 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H](C)C(=O)NC)CC[N@@H+]1C ZINC001392441747 991933874 /nfs/dbraw/zinc/93/38/74/991933874.db2.gz HLXWLWNSJDYHFL-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H](C)C(=O)NC)CC[N@H+]1C ZINC001392441747 991933882 /nfs/dbraw/zinc/93/38/82/991933882.db2.gz HLXWLWNSJDYHFL-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO COc1cc(CNC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)ccn1 ZINC001392526574 992048592 /nfs/dbraw/zinc/04/85/92/992048592.db2.gz ZVBISTGEODVREQ-CYBMUJFWSA-N 1 3 318.421 0.780 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001393042051 992645556 /nfs/dbraw/zinc/64/55/56/992645556.db2.gz XGQDKVOGQFPBRU-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001393158859 992721507 /nfs/dbraw/zinc/72/15/07/992721507.db2.gz HYRMGXRQNXUNHS-BBRMVZONSA-N 1 3 312.458 0.243 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1 ZINC001393163799 992723853 /nfs/dbraw/zinc/72/38/53/992723853.db2.gz JHIULGFATKHEAG-ZBFHGGJFSA-N 1 3 315.458 0.162 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001393211318 992743755 /nfs/dbraw/zinc/74/37/55/992743755.db2.gz BYYFWCOVSVOWBR-AWEZNQCLSA-N 1 3 313.442 0.108 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001393474400 993019884 /nfs/dbraw/zinc/01/98/84/993019884.db2.gz SMIRIUHVUKRONN-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CC3CC3)C2)C1 ZINC001393696313 993184791 /nfs/dbraw/zinc/18/47/91/993184791.db2.gz MHSHTLOWZMGMMR-WMLDXEAASA-N 1 3 309.454 0.681 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC)C1 ZINC001393739798 993213401 /nfs/dbraw/zinc/21/34/01/993213401.db2.gz AGMCNCXKGAUDOJ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NCC)C1 ZINC001393739798 993213408 /nfs/dbraw/zinc/21/34/08/993213408.db2.gz AGMCNCXKGAUDOJ-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001393926643 993348851 /nfs/dbraw/zinc/34/88/51/993348851.db2.gz HHGMUNPMIBMLIE-KBPBESRZSA-N 1 3 321.469 0.930 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001399702974 993685263 /nfs/dbraw/zinc/68/52/63/993685263.db2.gz AKCLGUGZOKRERP-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001399702974 993685270 /nfs/dbraw/zinc/68/52/70/993685270.db2.gz AKCLGUGZOKRERP-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)N[C@@H](C)C(N)=O ZINC001394540415 993813530 /nfs/dbraw/zinc/81/35/30/993813530.db2.gz FTGBCCZVWQHVHH-STQMWFEESA-N 1 3 320.437 0.672 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001394559212 993827631 /nfs/dbraw/zinc/82/76/31/993827631.db2.gz WRPVFKZOHALOED-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001394559212 993827637 /nfs/dbraw/zinc/82/76/37/993827637.db2.gz WRPVFKZOHALOED-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001394624889 993928090 /nfs/dbraw/zinc/92/80/90/993928090.db2.gz XGPOXDAOJYKTDV-KRWDZBQOSA-N 1 3 319.449 0.904 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001400040949 994091124 /nfs/dbraw/zinc/09/11/24/994091124.db2.gz UFBGFVRYKYTKNW-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001400062616 994121608 /nfs/dbraw/zinc/12/16/08/994121608.db2.gz WPQTVXKIYYWDFO-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC001394784978 994147216 /nfs/dbraw/zinc/14/72/16/994147216.db2.gz AZNLEBXEOSGDDK-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC001394784978 994147222 /nfs/dbraw/zinc/14/72/22/994147222.db2.gz AZNLEBXEOSGDDK-HUUCEWRRSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCCN2C)CC1 ZINC001400199437 994271135 /nfs/dbraw/zinc/27/11/35/994271135.db2.gz JAXXPMQTCIWRCN-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001395172017 994486009 /nfs/dbraw/zinc/48/60/09/994486009.db2.gz PHPQTDNNMFDKCI-UKRRQHHQSA-N 1 3 314.474 0.487 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCN1C(=O)CCC[NH+](C)C)N(C)C ZINC001400442633 994519316 /nfs/dbraw/zinc/51/93/16/994519316.db2.gz LUFPDXMHGZKRJK-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001400462978 994544214 /nfs/dbraw/zinc/54/42/14/994544214.db2.gz AZXVMJLVXAFVKF-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001400650956 994755238 /nfs/dbraw/zinc/75/52/38/994755238.db2.gz DKXRGKVUPGOIPS-CQSZACIVSA-N 1 3 307.442 0.495 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001395630255 994817645 /nfs/dbraw/zinc/81/76/45/994817645.db2.gz WGYLKTWYIIKHEQ-HIFRSBDPSA-N 1 3 314.474 0.487 20 0 DCADHO CN(CC(=O)N1CC(N(C)C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001400795819 994933371 /nfs/dbraw/zinc/93/33/71/994933371.db2.gz QCXXCCKCIOXYHE-UHFFFAOYSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]1(C[NH2+]CC(N)=O)CCCC[C@H]1C ZINC001401048949 995136364 /nfs/dbraw/zinc/13/63/64/995136364.db2.gz JEQRUDUDQQVOAR-CJNGLKHVSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001401086340 995162035 /nfs/dbraw/zinc/16/20/35/995162035.db2.gz NLXUXGFIOZKMEM-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001401086340 995162040 /nfs/dbraw/zinc/16/20/40/995162040.db2.gz NLXUXGFIOZKMEM-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001401085981 995162116 /nfs/dbraw/zinc/16/21/16/995162116.db2.gz JXGKPQAGTXVZAQ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001401085981 995162120 /nfs/dbraw/zinc/16/21/20/995162120.db2.gz JXGKPQAGTXVZAQ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NCC1CC1 ZINC001507062210 1015939171 /nfs/dbraw/zinc/93/91/71/1015939171.db2.gz LSAULTDHMGYEFT-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1 ZINC001396610478 995496797 /nfs/dbraw/zinc/49/67/97/995496797.db2.gz PIXAWFJOPHLWHB-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001396917308 995681444 /nfs/dbraw/zinc/68/14/44/995681444.db2.gz DNCIOYCKMYWVRE-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001396917308 995681450 /nfs/dbraw/zinc/68/14/50/995681450.db2.gz DNCIOYCKMYWVRE-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397234913 995877776 /nfs/dbraw/zinc/87/77/76/995877776.db2.gz UNIWPYZTMVWLMN-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397234913 995877779 /nfs/dbraw/zinc/87/77/79/995877779.db2.gz UNIWPYZTMVWLMN-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001397650661 996117864 /nfs/dbraw/zinc/11/78/64/996117864.db2.gz QREUQYMIWCCLAA-JOCQHMNTSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001397666594 996123064 /nfs/dbraw/zinc/12/30/64/996123064.db2.gz PVWXTDNGGXILEY-MGPQQGTHSA-N 1 3 320.441 0.141 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001397938234 996267077 /nfs/dbraw/zinc/26/70/77/996267077.db2.gz HPTQVGNZIFFCSA-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001397938234 996267080 /nfs/dbraw/zinc/26/70/80/996267080.db2.gz HPTQVGNZIFFCSA-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)CN1CCC[C@H]1C ZINC001398034397 996325983 /nfs/dbraw/zinc/32/59/83/996325983.db2.gz MOGQOWXIULHSFO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CN1CCC[C@H]1C ZINC001398034397 996325991 /nfs/dbraw/zinc/32/59/91/996325991.db2.gz MOGQOWXIULHSFO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001398038321 996327819 /nfs/dbraw/zinc/32/78/19/996327819.db2.gz GTISOPCBYDENQP-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398038321 996327825 /nfs/dbraw/zinc/32/78/25/996327825.db2.gz GTISOPCBYDENQP-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001398473353 996534167 /nfs/dbraw/zinc/53/41/67/996534167.db2.gz YLRGQEDSJBRIKR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001398473353 996534173 /nfs/dbraw/zinc/53/41/73/996534173.db2.gz YLRGQEDSJBRIKR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1)N(C)C ZINC001398608827 996602097 /nfs/dbraw/zinc/60/20/97/996602097.db2.gz DWOZEPOKXRZKDV-SPWCGHHHSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001398753681 996673627 /nfs/dbraw/zinc/67/36/27/996673627.db2.gz DFORLDNMDJADKG-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)CC[N@H+]1C ZINC001398753681 996673636 /nfs/dbraw/zinc/67/36/36/996673636.db2.gz DFORLDNMDJADKG-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)c1cccc(CN[C@@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001399012093 996827326 /nfs/dbraw/zinc/82/73/26/996827326.db2.gz DQUTZHCBDWFTNG-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001399013721 996830423 /nfs/dbraw/zinc/83/04/23/996830423.db2.gz DRMOLTHKLKHBSC-NWDGAFQWSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1)[NH+](C)C ZINC001399049818 996891489 /nfs/dbraw/zinc/89/14/89/996891489.db2.gz SCNKYQKXIBYWFB-IUODEOHRSA-N 1 3 312.458 0.288 20 0 DCADHO CCCC[C@@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001404309216 996953272 /nfs/dbraw/zinc/95/32/72/996953272.db2.gz CXWACTNYNZKUSR-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001399096060 996954412 /nfs/dbraw/zinc/95/44/12/996954412.db2.gz AQJSEFFWJVFESH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CN[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001399096060 996954423 /nfs/dbraw/zinc/95/44/23/996954423.db2.gz AQJSEFFWJVFESH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)CN1CC[C@H](C)C1 ZINC001399420800 997340640 /nfs/dbraw/zinc/34/06/40/997340640.db2.gz SDYDDMNIVNBLLL-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)N[C@@H]1CCc2c1cccc2F ZINC001507234074 1016159232 /nfs/dbraw/zinc/15/92/32/1016159232.db2.gz YRSMFXYCZNWMCC-BLLLJJGKSA-N 1 3 323.412 0.831 20 0 DCADHO CCc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001507260459 1016192594 /nfs/dbraw/zinc/19/25/94/1016192594.db2.gz LJKSTNRJJRNTQQ-DLBZAZTESA-N 1 3 319.449 0.767 20 0 DCADHO CCc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001507260459 1016192599 /nfs/dbraw/zinc/19/25/99/1016192599.db2.gz LJKSTNRJJRNTQQ-DLBZAZTESA-N 1 3 319.449 0.767 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001405600100 998378078 /nfs/dbraw/zinc/37/80/78/998378078.db2.gz ZGCCDHAMEVPFGL-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(=O)NC(C)(C)C)CCN1C(=O)CN1CCCC1 ZINC001507295621 1016225206 /nfs/dbraw/zinc/22/52/06/1016225206.db2.gz NPZLTIKHPVFWRG-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001507311428 1016244578 /nfs/dbraw/zinc/24/45/78/1016244578.db2.gz AHSPKNXUAXZXHJ-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC)C(C)(C)C1 ZINC001507451261 1016337104 /nfs/dbraw/zinc/33/71/04/1016337104.db2.gz OAMSQWXMNVSEEJ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)NC)C(C)(C)C1 ZINC001507451261 1016337116 /nfs/dbraw/zinc/33/71/16/1016337116.db2.gz OAMSQWXMNVSEEJ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCN1CCCC1=O ZINC001505625628 1016367982 /nfs/dbraw/zinc/36/79/82/1016367982.db2.gz MFELKRBRXYLGRF-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001401350647 1000367433 /nfs/dbraw/zinc/36/74/33/1000367433.db2.gz FBRKCHPFOVQNIU-ZIAGYGMSSA-N 1 3 314.474 0.534 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001418816223 1000545813 /nfs/dbraw/zinc/54/58/13/1000545813.db2.gz BOSFHRCMFUZNDM-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001418816223 1000545818 /nfs/dbraw/zinc/54/58/18/1000545818.db2.gz BOSFHRCMFUZNDM-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001418823618 1000550562 /nfs/dbraw/zinc/55/05/62/1000550562.db2.gz FEQRATIREYANFA-AWEZNQCLSA-N 1 3 312.458 0.384 20 0 DCADHO CN(CCF)C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001418945749 1000637914 /nfs/dbraw/zinc/63/79/14/1000637914.db2.gz SZRSKVLIHFTEAA-CQSZACIVSA-N 1 3 315.433 0.847 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001401706671 1000644761 /nfs/dbraw/zinc/64/47/61/1000644761.db2.gz WEMRKLHYDLYRBQ-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001401720590 1000656510 /nfs/dbraw/zinc/65/65/10/1000656510.db2.gz MIOYIEPDZYZDSC-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CN(C[C@@H](O)Cc2ccccc2)C1 ZINC001419033524 1000707440 /nfs/dbraw/zinc/70/74/40/1000707440.db2.gz PGUKCEZYEJCHGI-KRWDZBQOSA-N 1 3 319.449 0.590 20 0 DCADHO C[C@H](NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(=O)N(C)C ZINC001401878528 1000812433 /nfs/dbraw/zinc/81/24/33/1000812433.db2.gz WBLHXNSPCXGMKW-GXTWGEPZSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001419274502 1000939760 /nfs/dbraw/zinc/93/97/60/1000939760.db2.gz ZULRUJVFROJEQV-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001419274502 1000939767 /nfs/dbraw/zinc/93/97/67/1000939767.db2.gz ZULRUJVFROJEQV-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]([NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1)C(N)=O ZINC001419346600 1000991734 /nfs/dbraw/zinc/99/17/34/1000991734.db2.gz WFLOZJKOVMZUJI-MEDUHNTESA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001402075552 1000995931 /nfs/dbraw/zinc/99/59/31/1000995931.db2.gz JVWYXDKPRQRMPY-HIFRSBDPSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC2CC2)CC1 ZINC001419393541 1001019081 /nfs/dbraw/zinc/01/90/81/1001019081.db2.gz XWHUXLZVCNFCGG-CTYIDZIISA-N 1 3 324.469 0.622 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)CC(C)(C)C ZINC001419411029 1001029978 /nfs/dbraw/zinc/02/99/78/1001029978.db2.gz HQCWLUVJUSBTFO-MGPQQGTHSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419749412 1001277062 /nfs/dbraw/zinc/27/70/62/1001277062.db2.gz SBDNEBAWWBLCPS-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419749412 1001277064 /nfs/dbraw/zinc/27/70/64/1001277064.db2.gz SBDNEBAWWBLCPS-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cncn1C ZINC001419757212 1001282704 /nfs/dbraw/zinc/28/27/04/1001282704.db2.gz OOPFQDILRLOQEK-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cncn1C ZINC001419757212 1001282707 /nfs/dbraw/zinc/28/27/07/1001282707.db2.gz OOPFQDILRLOQEK-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cncn1C ZINC001419757227 1001283240 /nfs/dbraw/zinc/28/32/40/1001283240.db2.gz OOPFQDILRLOQEK-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1cncn1C ZINC001419757227 1001283246 /nfs/dbraw/zinc/28/32/46/1001283246.db2.gz OOPFQDILRLOQEK-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001419773140 1001295255 /nfs/dbraw/zinc/29/52/55/1001295255.db2.gz VTTNCVHIWMUAAJ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)C[C@H](CNCC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001419796284 1001314949 /nfs/dbraw/zinc/31/49/49/1001314949.db2.gz HMTAJBUFHDWXKU-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419818267 1001332046 /nfs/dbraw/zinc/33/20/46/1001332046.db2.gz PMQUUNZDUXPKRI-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(=O)N1CCC1 ZINC001419837909 1001346321 /nfs/dbraw/zinc/34/63/21/1001346321.db2.gz FYBVUBDVDOCJKH-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001402529654 1001387595 /nfs/dbraw/zinc/38/75/95/1001387595.db2.gz UADWWBCOAUNWDA-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001402606855 1001438001 /nfs/dbraw/zinc/43/80/01/1001438001.db2.gz YTCFFILBKLENOM-MELADBBJSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C1CC1 ZINC001402778229 1001497703 /nfs/dbraw/zinc/49/77/03/1001497703.db2.gz OXIPWYFCFTXKEW-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)NC)CC1 ZINC001402829280 1001521152 /nfs/dbraw/zinc/52/11/52/1001521152.db2.gz AGBCKHDJHITEEN-NRXISQOPSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001402897405 1001564379 /nfs/dbraw/zinc/56/43/79/1001564379.db2.gz YSCNEZOYAGKKAH-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001402897405 1001564382 /nfs/dbraw/zinc/56/43/82/1001564382.db2.gz YSCNEZOYAGKKAH-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H]1CCCN(C)C1=O ZINC001402925327 1001582717 /nfs/dbraw/zinc/58/27/17/1001582717.db2.gz GZAZXVXCNWLPMO-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](C)[NH2+]CCn1cncn1 ZINC001402990083 1001621431 /nfs/dbraw/zinc/62/14/31/1001621431.db2.gz CXOOETZDQMQFOF-ZIAGYGMSSA-N 1 3 324.473 0.739 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H](C)C(=O)NC1CC1 ZINC001403007858 1001629868 /nfs/dbraw/zinc/62/98/68/1001629868.db2.gz NWTANWFIECIVHJ-STQMWFEESA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001403017410 1001633423 /nfs/dbraw/zinc/63/34/23/1001633423.db2.gz ZCZBVZRTGFALFY-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001403099928 1001672513 /nfs/dbraw/zinc/67/25/13/1001672513.db2.gz JVBPRDUIIHULJL-ZDUSSCGKSA-N 1 3 308.426 0.321 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)CCn2cncn2)CC[N@@H+]1C ZINC001403126601 1001686721 /nfs/dbraw/zinc/68/67/21/1001686721.db2.gz OEOFGJARUIRLGB-SOUVJXGZSA-N 1 3 322.457 0.445 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)CCn2cncn2)CC[N@H+]1C ZINC001403126601 1001686723 /nfs/dbraw/zinc/68/67/23/1001686723.db2.gz OEOFGJARUIRLGB-SOUVJXGZSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCN(C)C1=O ZINC001403130034 1001687574 /nfs/dbraw/zinc/68/75/74/1001687574.db2.gz FTEMREWXEUYENZ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC1CCCC1 ZINC001403215686 1001739738 /nfs/dbraw/zinc/73/97/38/1001739738.db2.gz YFUHMMFSVGNRAW-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001420133694 1001923232 /nfs/dbraw/zinc/92/32/32/1001923232.db2.gz UPYHERBDNGEXGV-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCCN2C)on1 ZINC001420140923 1001930461 /nfs/dbraw/zinc/93/04/61/1001930461.db2.gz CXPXLQNGVVJKQT-TZMCWYRMSA-N 1 3 310.398 0.034 20 0 DCADHO CCn1ccc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001403469783 1001997257 /nfs/dbraw/zinc/99/72/57/1001997257.db2.gz QBSFYEWKFBUAER-UONOGXRCSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001403469783 1001997268 /nfs/dbraw/zinc/99/72/68/1001997268.db2.gz QBSFYEWKFBUAER-UONOGXRCSA-N 1 3 307.442 0.839 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001403513473 1002057606 /nfs/dbraw/zinc/05/76/06/1002057606.db2.gz PIBOLTIEXMHTTN-UONOGXRCSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424817907 1002057844 /nfs/dbraw/zinc/05/78/44/1002057844.db2.gz HKUSDFCNEUVNFY-STQMWFEESA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCCCC1 ZINC001403522646 1002070609 /nfs/dbraw/zinc/07/06/09/1002070609.db2.gz HQMAFQSAVRUCDZ-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@H]2C[C@@]23CCOC3)CCC1 ZINC001403573652 1002160629 /nfs/dbraw/zinc/16/06/29/1002160629.db2.gz FKZQJHQJWHLZIH-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@H]2C[C@@]23CCOC3)CCC1 ZINC001403573652 1002160633 /nfs/dbraw/zinc/16/06/33/1002160633.db2.gz FKZQJHQJWHLZIH-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CCn1cncn1 ZINC001424944006 1002172935 /nfs/dbraw/zinc/17/29/35/1002172935.db2.gz WJONFUYWLQPNGU-BFHYXJOUSA-N 1 3 308.430 0.055 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CCn1cncn1 ZINC001424944006 1002172948 /nfs/dbraw/zinc/17/29/48/1002172948.db2.gz WJONFUYWLQPNGU-BFHYXJOUSA-N 1 3 308.430 0.055 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCCNC1=O ZINC001403589535 1002179825 /nfs/dbraw/zinc/17/98/25/1002179825.db2.gz OPJHIAGPRKRNSI-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001403633488 1002239852 /nfs/dbraw/zinc/23/98/52/1002239852.db2.gz RSLCRPRAOIHZDW-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001403632249 1002241265 /nfs/dbraw/zinc/24/12/65/1002241265.db2.gz YQDMEUKUUKTVJP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001420374122 1002296909 /nfs/dbraw/zinc/29/69/09/1002296909.db2.gz RCPGFXSTGCYGQH-GFCCVEGCSA-N 1 3 303.410 0.475 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001505836506 1016600186 /nfs/dbraw/zinc/60/01/86/1016600186.db2.gz GFMSQOMRNWSWGN-UHFFFAOYSA-N 1 3 323.441 0.551 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)CCO[C@H]2CC2(F)F)C1 ZINC001403688827 1002355761 /nfs/dbraw/zinc/35/57/61/1002355761.db2.gz SOELDGWOVOSZPW-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)CCO[C@H]2CC2(F)F)C1 ZINC001403688827 1002355774 /nfs/dbraw/zinc/35/57/74/1002355774.db2.gz SOELDGWOVOSZPW-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508015566 1016609935 /nfs/dbraw/zinc/60/99/35/1016609935.db2.gz AVYFEABHGCKVKT-NEPJUHHUSA-N 1 3 300.447 0.193 20 0 DCADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)C12CC[NH+](CC1)C2 ZINC001425183057 1002423298 /nfs/dbraw/zinc/42/32/98/1002423298.db2.gz CGICQFNGNQHUNE-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420467037 1002459921 /nfs/dbraw/zinc/45/99/21/1002459921.db2.gz FSHPNGMQVJLCLI-OLZOCXBDSA-N 1 3 322.457 0.543 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420467037 1002459927 /nfs/dbraw/zinc/45/99/27/1002459927.db2.gz FSHPNGMQVJLCLI-OLZOCXBDSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CN(CCO)C1 ZINC001425247821 1002476324 /nfs/dbraw/zinc/47/63/24/1002476324.db2.gz PESMUPJHQPTNRO-WBMJQRKESA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CN(CCO)C1 ZINC001425247821 1002476332 /nfs/dbraw/zinc/47/63/32/1002476332.db2.gz PESMUPJHQPTNRO-WBMJQRKESA-N 1 3 315.433 0.628 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C)C(N)=O ZINC001403803205 1002543006 /nfs/dbraw/zinc/54/30/06/1002543006.db2.gz IXCORFJRMLAZFE-RYUDHWBXSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C)C(N)=O ZINC001403803221 1002543792 /nfs/dbraw/zinc/54/37/92/1002543792.db2.gz IXCORFJRMLAZFE-VXGBXAGGSA-N 1 3 310.442 0.029 20 0 DCADHO Cn1nccc1CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001403809031 1002554242 /nfs/dbraw/zinc/55/42/42/1002554242.db2.gz BWIRGYRUUZAUQZ-AWEZNQCLSA-N 1 3 307.442 0.698 20 0 DCADHO CCN1CC[C@H](N[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1=O ZINC001403840395 1002609432 /nfs/dbraw/zinc/60/94/32/1002609432.db2.gz ZAVCLTVMYJGRGL-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](C[N@H+](C)CCn1cccn1)NC(=O)CN(C)C1CCC1 ZINC001420582644 1002649303 /nfs/dbraw/zinc/64/93/03/1002649303.db2.gz CVSXMZPLPVOHAM-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H](C[N@@H+](C)CCn1cccn1)NC(=O)CN(C)C1CCC1 ZINC001420582644 1002649309 /nfs/dbraw/zinc/64/93/09/1002649309.db2.gz CVSXMZPLPVOHAM-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)CCn1cncn1 ZINC001403865368 1002649992 /nfs/dbraw/zinc/64/99/92/1002649992.db2.gz LENRAHHTOIWIRH-UHFFFAOYSA-N 1 3 320.441 0.345 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001425432983 1002672906 /nfs/dbraw/zinc/67/29/06/1002672906.db2.gz OQSHNFYHJWJBPY-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001425432983 1002672910 /nfs/dbraw/zinc/67/29/10/1002672910.db2.gz OQSHNFYHJWJBPY-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001508134688 1016665960 /nfs/dbraw/zinc/66/59/60/1016665960.db2.gz DECDIYQMIODZCI-UHFFFAOYSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001420904928 1003114007 /nfs/dbraw/zinc/11/40/07/1003114007.db2.gz GMBXQYHOEKESCB-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001420904928 1003114014 /nfs/dbraw/zinc/11/40/14/1003114014.db2.gz GMBXQYHOEKESCB-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[N@H+](CCn1cncn1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001420936791 1003152550 /nfs/dbraw/zinc/15/25/50/1003152550.db2.gz ZWOUGWONCMSTKI-CYBMUJFWSA-N 1 3 317.397 0.024 20 0 DCADHO C[N@@H+](CCn1cncn1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001420936791 1003152553 /nfs/dbraw/zinc/15/25/53/1003152553.db2.gz ZWOUGWONCMSTKI-CYBMUJFWSA-N 1 3 317.397 0.024 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001405865313 1003154574 /nfs/dbraw/zinc/15/45/74/1003154574.db2.gz LRQFNKRZDLGOAB-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420949215 1003167040 /nfs/dbraw/zinc/16/70/40/1003167040.db2.gz LDMHDGVBDXMTSG-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420949215 1003167043 /nfs/dbraw/zinc/16/70/43/1003167043.db2.gz LDMHDGVBDXMTSG-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C)C1=O ZINC001405901241 1003185800 /nfs/dbraw/zinc/18/58/00/1003185800.db2.gz DGSYNDIQAVOVPE-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCCNC1=O ZINC001405903284 1003186145 /nfs/dbraw/zinc/18/61/45/1003186145.db2.gz RFKFCMLBSPIWBP-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCCNC1=O ZINC001405903284 1003186152 /nfs/dbraw/zinc/18/61/52/1003186152.db2.gz RFKFCMLBSPIWBP-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001425881069 1003214663 /nfs/dbraw/zinc/21/46/63/1003214663.db2.gz JGMQDBFQCKNBAK-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C[C@H]1C ZINC001425887761 1003225399 /nfs/dbraw/zinc/22/53/99/1003225399.db2.gz KTTJIHQVPMNNSM-ZIAGYGMSSA-N 1 3 307.442 0.839 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001425899642 1003238852 /nfs/dbraw/zinc/23/88/52/1003238852.db2.gz QKKLMZZAAXHFNT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001425899642 1003238863 /nfs/dbraw/zinc/23/88/63/1003238863.db2.gz QKKLMZZAAXHFNT-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NCc1nncn1C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001405985470 1003242216 /nfs/dbraw/zinc/24/22/16/1003242216.db2.gz LALXJRPOHSACOV-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(N)=O ZINC001406006584 1003257940 /nfs/dbraw/zinc/25/79/40/1003257940.db2.gz VJIQRPLTGMJFHC-DGCLKSJQSA-N 1 3 307.398 0.187 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001426081351 1003417051 /nfs/dbraw/zinc/41/70/51/1003417051.db2.gz MMRRMSGSHRUOIV-MRXNPFEDSA-N 1 3 307.438 0.889 20 0 DCADHO Cc1ncccc1C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001406233051 1003506364 /nfs/dbraw/zinc/50/63/64/1003506364.db2.gz GINZRXDRLYUHQX-HNNXBMFYSA-N 1 3 320.437 0.441 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CCN[C@H]2CCNC2=O)C1 ZINC001406331409 1003612506 /nfs/dbraw/zinc/61/25/06/1003612506.db2.gz RPVHXLFYZPIBNW-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)CCN[C@H]2CCNC2=O)C1 ZINC001406331409 1003612512 /nfs/dbraw/zinc/61/25/12/1003612512.db2.gz RPVHXLFYZPIBNW-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001406333864 1003615528 /nfs/dbraw/zinc/61/55/28/1003615528.db2.gz UVHCVHLJLFWUTF-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@H+](CCC2CC2)C1 ZINC001421395805 1003620751 /nfs/dbraw/zinc/62/07/51/1003620751.db2.gz JXTGVXNJPGCBIS-MRXNPFEDSA-N 1 3 306.410 0.614 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001421395805 1003620752 /nfs/dbraw/zinc/62/07/52/1003620752.db2.gz JXTGVXNJPGCBIS-MRXNPFEDSA-N 1 3 306.410 0.614 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001406352737 1003630422 /nfs/dbraw/zinc/63/04/22/1003630422.db2.gz NZKHERBDBVGBNT-MCIONIFRSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(CC)CC(=O)NC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001426337136 1003719211 /nfs/dbraw/zinc/71/92/11/1003719211.db2.gz NDPDYOXVMKYYBR-SLTAFYQDSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001426337136 1003719217 /nfs/dbraw/zinc/71/92/17/1003719217.db2.gz NDPDYOXVMKYYBR-SLTAFYQDSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCc1cnn(C)c1 ZINC001506002104 1016859597 /nfs/dbraw/zinc/85/95/97/1016859597.db2.gz NXBOEKHEOPKBNW-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCc1cnn(C)c1 ZINC001506002104 1016859613 /nfs/dbraw/zinc/85/96/13/1016859613.db2.gz NXBOEKHEOPKBNW-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C)N(C)C ZINC001406980878 1004281701 /nfs/dbraw/zinc/28/17/01/1004281701.db2.gz RNYUXUUEMJZVDL-BARDWOONSA-N 1 3 324.469 0.526 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001407065016 1004348138 /nfs/dbraw/zinc/34/81/38/1004348138.db2.gz WZLSZTJABSMEJH-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001407065016 1004348143 /nfs/dbraw/zinc/34/81/43/1004348143.db2.gz WZLSZTJABSMEJH-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C[C@H]1C ZINC001407078237 1004356865 /nfs/dbraw/zinc/35/68/65/1004356865.db2.gz AZFGRXMNROXIID-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001407153486 1004424645 /nfs/dbraw/zinc/42/46/45/1004424645.db2.gz OJTGIETXQBEPNO-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001407153486 1004424649 /nfs/dbraw/zinc/42/46/49/1004424649.db2.gz OJTGIETXQBEPNO-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001429487587 1004626828 /nfs/dbraw/zinc/62/68/28/1004626828.db2.gz BMEGHDJGNBIHSX-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001429487587 1004626833 /nfs/dbraw/zinc/62/68/33/1004626833.db2.gz BMEGHDJGNBIHSX-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001407516178 1004704018 /nfs/dbraw/zinc/70/40/18/1004704018.db2.gz GNZMEIIARVFIOU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)c1nc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001408091786 1005033927 /nfs/dbraw/zinc/03/39/27/1005033927.db2.gz KSLOKEIBORBKPB-OLZOCXBDSA-N 1 3 322.457 0.816 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001408292940 1005145386 /nfs/dbraw/zinc/14/53/86/1005145386.db2.gz JEWUPSYAKBGYCW-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CN(CCn1cccn1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408346709 1005169861 /nfs/dbraw/zinc/16/98/61/1005169861.db2.gz WCKCEMPESVPDNB-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CN(CCn1cccn1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408346709 1005169863 /nfs/dbraw/zinc/16/98/63/1005169863.db2.gz WCKCEMPESVPDNB-HOTGVXAUSA-N 1 3 319.453 0.758 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N(C)OC)CC2)CC1 ZINC001473559460 1016951254 /nfs/dbraw/zinc/95/12/54/1016951254.db2.gz JQSSWOWJRRVGGD-UHFFFAOYSA-N 1 3 312.458 0.498 20 0 DCADHO CCN1CCC([N@H+]2CCCN(CC(=O)N(C)OC)CC2)CC1 ZINC001473559460 1016951260 /nfs/dbraw/zinc/95/12/60/1016951260.db2.gz JQSSWOWJRRVGGD-UHFFFAOYSA-N 1 3 312.458 0.498 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001415754382 1005605714 /nfs/dbraw/zinc/60/57/14/1005605714.db2.gz MIBBBBFABWFNRG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415754382 1005605715 /nfs/dbraw/zinc/60/57/15/1005605715.db2.gz MIBBBBFABWFNRG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001415959436 1005635900 /nfs/dbraw/zinc/63/59/00/1005635900.db2.gz FRYBVYCXLQMUNV-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001415959436 1005635903 /nfs/dbraw/zinc/63/59/03/1005635903.db2.gz FRYBVYCXLQMUNV-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)CN2CCCC2)C1)[NH+](CC)CC ZINC001416049188 1005656415 /nfs/dbraw/zinc/65/64/15/1005656415.db2.gz JNFGHDBDPSLYGG-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001417811577 1005894922 /nfs/dbraw/zinc/89/49/22/1005894922.db2.gz BLGNARVCPGMKPD-MCIONIFRSA-N 1 3 322.453 0.173 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001438652046 1005992575 /nfs/dbraw/zinc/99/25/75/1005992575.db2.gz KHIBIVQBOUPLKF-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001438652046 1005992583 /nfs/dbraw/zinc/99/25/83/1005992583.db2.gz KHIBIVQBOUPLKF-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438673622 1006012075 /nfs/dbraw/zinc/01/20/75/1006012075.db2.gz HTOCKCMWLYPKFC-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001438707980 1006055854 /nfs/dbraw/zinc/05/58/54/1006055854.db2.gz UNXLGIAENVXVBN-QWHCGFSZSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001418114779 1006058133 /nfs/dbraw/zinc/05/81/33/1006058133.db2.gz WDUQWPYYLWUZRV-GASCZTMLSA-N 1 3 307.442 0.540 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001438744681 1006091296 /nfs/dbraw/zinc/09/12/96/1006091296.db2.gz VXGNQFTXVCFPRP-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCCC2)C1 ZINC001438748576 1006095081 /nfs/dbraw/zinc/09/50/81/1006095081.db2.gz QCRQQQHUMGZOPD-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCCNC1=O)C(C)C ZINC001438836597 1006154407 /nfs/dbraw/zinc/15/44/07/1006154407.db2.gz BWKFAFXOZWEOQW-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001436395153 1006161988 /nfs/dbraw/zinc/16/19/88/1006161988.db2.gz FTEKNKZOIZELDQ-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001436401840 1006165711 /nfs/dbraw/zinc/16/57/11/1006165711.db2.gz RYXCBADPSPPMIL-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001418225593 1006202347 /nfs/dbraw/zinc/20/23/47/1006202347.db2.gz IYBJSMNSZVXTHP-MFKMUULPSA-N 1 3 306.414 0.049 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCCC1=O)N(C)C ZINC001418272760 1006282663 /nfs/dbraw/zinc/28/26/63/1006282663.db2.gz YSBOZLGJSYHHMY-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001418279032 1006295398 /nfs/dbraw/zinc/29/53/98/1006295398.db2.gz BZAQIJCAGVPQMX-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001436797313 1006372629 /nfs/dbraw/zinc/37/26/29/1006372629.db2.gz VDZONAMWPKMEQQ-GJZGRUSLSA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001436797313 1006372642 /nfs/dbraw/zinc/37/26/42/1006372642.db2.gz VDZONAMWPKMEQQ-GJZGRUSLSA-N 1 3 322.453 0.363 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@H]1CCCNC1=O ZINC001439071782 1006434085 /nfs/dbraw/zinc/43/40/85/1006434085.db2.gz NGYXDNJUDHXPJF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCN[C@H]1CCCNC1=O ZINC001439071782 1006434089 /nfs/dbraw/zinc/43/40/89/1006434089.db2.gz NGYXDNJUDHXPJF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001439084276 1006451329 /nfs/dbraw/zinc/45/13/29/1006451329.db2.gz YZRZTOXWNDLFSQ-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001436966212 1006488732 /nfs/dbraw/zinc/48/87/32/1006488732.db2.gz NAMTXEIOLLIEAF-MCIONIFRSA-N 1 3 310.442 0.090 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001436975335 1006495063 /nfs/dbraw/zinc/49/50/63/1006495063.db2.gz WEVFWIOZAPLKOB-TXEJJXNPSA-N 1 3 311.455 0.925 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2snnc2C)C1 ZINC001436975335 1006495070 /nfs/dbraw/zinc/49/50/70/1006495070.db2.gz WEVFWIOZAPLKOB-TXEJJXNPSA-N 1 3 311.455 0.925 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439142037 1006508074 /nfs/dbraw/zinc/50/80/74/1006508074.db2.gz DXLKJVSBURTMBS-RQJABVFESA-N 1 3 324.469 0.478 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439142037 1006508084 /nfs/dbraw/zinc/50/80/84/1006508084.db2.gz DXLKJVSBURTMBS-RQJABVFESA-N 1 3 324.469 0.478 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC001436996667 1006513779 /nfs/dbraw/zinc/51/37/79/1006513779.db2.gz BWQNZWDEHGJGFS-HNNXBMFYSA-N 1 3 322.457 0.448 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC001436996667 1006513786 /nfs/dbraw/zinc/51/37/86/1006513786.db2.gz BWQNZWDEHGJGFS-HNNXBMFYSA-N 1 3 322.457 0.448 20 0 DCADHO CC[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001439267592 1006641272 /nfs/dbraw/zinc/64/12/72/1006641272.db2.gz OWPONNIYBHDHQD-GXTWGEPZSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001437302605 1006819142 /nfs/dbraw/zinc/81/91/42/1006819142.db2.gz WKBLCLOFPYZPTQ-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437314671 1006833220 /nfs/dbraw/zinc/83/32/20/1006833220.db2.gz UFLFCKGLPVCDAJ-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001437379202 1006907513 /nfs/dbraw/zinc/90/75/13/1006907513.db2.gz HZIZYHQIRRPDMH-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC ZINC001439791371 1007202763 /nfs/dbraw/zinc/20/27/63/1007202763.db2.gz UBTBCYGSULMRBE-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC ZINC001439791371 1007202773 /nfs/dbraw/zinc/20/27/73/1007202773.db2.gz UBTBCYGSULMRBE-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CCCC1)C(N)=O ZINC001439811077 1007215268 /nfs/dbraw/zinc/21/52/68/1007215268.db2.gz BJPWXBIJHXNSJA-OCCSQVGLSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001439891336 1007288972 /nfs/dbraw/zinc/28/89/72/1007288972.db2.gz OKPOUMCEBBEFTB-XJKSGUPXSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](NCc1cnns1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001440124204 1007504520 /nfs/dbraw/zinc/50/45/20/1007504520.db2.gz ROURCUJWLKWMTJ-RYUDHWBXSA-N 1 3 311.455 0.816 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001438000092 1007575081 /nfs/dbraw/zinc/57/50/81/1007575081.db2.gz LNYITUOUIMPFES-ZIAGYGMSSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H](N[C@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1)C(N)=O ZINC001440223017 1007590416 /nfs/dbraw/zinc/59/04/16/1007590416.db2.gz NPRUNMBRTKENEJ-CHWSQXEVSA-N 1 3 320.437 0.779 20 0 DCADHO C[NH+](C)CCC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001440262594 1007622450 /nfs/dbraw/zinc/62/24/50/1007622450.db2.gz QWDOEFQNPOYSHK-UHFFFAOYSA-N 1 3 305.422 0.605 20 0 DCADHO CN(CC(=O)NCC1C[NH+](C[C@H]2C[C@]23CCOC3)C1)C1CCC1 ZINC001438128114 1007654462 /nfs/dbraw/zinc/65/44/62/1007654462.db2.gz LFCASAOMUUFYCI-QAPCUYQASA-N 1 3 321.465 0.945 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001440401009 1007729700 /nfs/dbraw/zinc/72/97/00/1007729700.db2.gz IDLVITKEGQLFDU-MELADBBJSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cnnn1C ZINC001438326508 1007822472 /nfs/dbraw/zinc/82/24/72/1007822472.db2.gz IBSYOKNNKDXXIM-CYBMUJFWSA-N 1 3 308.430 0.141 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H]1CCN(CC)C1=O ZINC001438340709 1007839885 /nfs/dbraw/zinc/83/98/85/1007839885.db2.gz FRFQFSRDTJSWJP-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001440598526 1007911026 /nfs/dbraw/zinc/91/10/26/1007911026.db2.gz WWKRLNCTQKBNGD-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](C[C@H](C)O)CC1 ZINC001438454383 1007919773 /nfs/dbraw/zinc/91/97/73/1007919773.db2.gz VPVAKVCULUGGOT-LBPRGKRZSA-N 1 3 308.426 0.860 20 0 DCADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)C1CC[NH+](C)CC1 ZINC001441118288 1008227490 /nfs/dbraw/zinc/22/74/90/1008227490.db2.gz NCOXTBVSAFXUKH-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001441361332 1008332629 /nfs/dbraw/zinc/33/26/29/1008332629.db2.gz ZVLPGOPFOSXDGG-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001441365412 1008333900 /nfs/dbraw/zinc/33/39/00/1008333900.db2.gz NAUYROYGKBQOCE-XGUBFFRZSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001441412436 1008348290 /nfs/dbraw/zinc/34/82/90/1008348290.db2.gz DVQMKMRBFYABCJ-RBSFLKMASA-N 1 3 324.469 0.574 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccnn3C)C2)CCC1 ZINC001441483950 1008372071 /nfs/dbraw/zinc/37/20/71/1008372071.db2.gz CIEMUMJYDBLSDT-BETUJISGSA-N 1 3 305.426 0.641 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)N2CCC2)CC[N@@H+]1C ZINC001441508829 1008383372 /nfs/dbraw/zinc/38/33/72/1008383372.db2.gz GLNNUXPRUVKLNP-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)N2CCC2)CC[N@H+]1C ZINC001441508829 1008383377 /nfs/dbraw/zinc/38/33/77/1008383377.db2.gz GLNNUXPRUVKLNP-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N(C)C2CC2)CN1C(=O)CC[NH+](C)C ZINC001441827366 1008525195 /nfs/dbraw/zinc/52/51/95/1008525195.db2.gz AERMCTNWSRDVIN-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001453551543 1008575403 /nfs/dbraw/zinc/57/54/03/1008575403.db2.gz MKVFIPCGXPMHPN-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001453551543 1008575411 /nfs/dbraw/zinc/57/54/11/1008575411.db2.gz MKVFIPCGXPMHPN-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001453562816 1008584375 /nfs/dbraw/zinc/58/43/75/1008584375.db2.gz RTAOGMJBBUTKFL-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001453629944 1008626024 /nfs/dbraw/zinc/62/60/24/1008626024.db2.gz UQBMFWAGJQHLPE-CQSZACIVSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001453726171 1008688509 /nfs/dbraw/zinc/68/85/09/1008688509.db2.gz YOEWNXPPLUMNQH-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O)N(C)C ZINC001421540267 1008703216 /nfs/dbraw/zinc/70/32/16/1008703216.db2.gz QQLSRULSOGKOHL-RMEBNNNOSA-N 1 3 324.469 0.560 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O)N(C)C ZINC001421540267 1008703230 /nfs/dbraw/zinc/70/32/30/1008703230.db2.gz QQLSRULSOGKOHL-RMEBNNNOSA-N 1 3 324.469 0.560 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001421538917 1008704508 /nfs/dbraw/zinc/70/45/08/1008704508.db2.gz DCGUTRNMFTUWEX-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001453862417 1008769984 /nfs/dbraw/zinc/76/99/84/1008769984.db2.gz QYTIEFOKODMUJK-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001453862417 1008769993 /nfs/dbraw/zinc/76/99/93/1008769993.db2.gz QYTIEFOKODMUJK-RHSMWYFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001453862419 1008771396 /nfs/dbraw/zinc/77/13/96/1008771396.db2.gz QYTIEFOKODMUJK-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001453862419 1008771408 /nfs/dbraw/zinc/77/14/08/1008771408.db2.gz QYTIEFOKODMUJK-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001421605366 1008787835 /nfs/dbraw/zinc/78/78/35/1008787835.db2.gz ZFBZSRLTAMDYQY-IHRRRGAJSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001442098730 1008972452 /nfs/dbraw/zinc/97/24/52/1008972452.db2.gz VNJQFUHEVCYDCK-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cnn(C)c2)CCC1)N(C)C ZINC001421747724 1009022507 /nfs/dbraw/zinc/02/25/07/1009022507.db2.gz DQWPMXWXTCSMDP-CQSZACIVSA-N 1 3 307.442 0.889 20 0 DCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cn2ccnc2C)CC1 ZINC001433663374 1009040947 /nfs/dbraw/zinc/04/09/47/1009040947.db2.gz UXOXYLXIKXGKNV-AWEZNQCLSA-N 1 3 307.442 0.581 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCC(=O)NC)CCC2)C1 ZINC001421762767 1009050572 /nfs/dbraw/zinc/05/05/72/1009050572.db2.gz FCTSWQVXBFYJSH-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCC(=O)NC)CCC2)C1 ZINC001421762767 1009050578 /nfs/dbraw/zinc/05/05/78/1009050578.db2.gz FCTSWQVXBFYJSH-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccn(C)n1 ZINC001442257809 1009139768 /nfs/dbraw/zinc/13/97/68/1009139768.db2.gz MYCADYPNORNMRE-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001421929491 1009275556 /nfs/dbraw/zinc/27/55/56/1009275556.db2.gz AFOVOOLQUIUWLO-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001433911405 1009338263 /nfs/dbraw/zinc/33/82/63/1009338263.db2.gz FBJPHYQQYKUXPD-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001422036290 1009423154 /nfs/dbraw/zinc/42/31/54/1009423154.db2.gz XVEKBFIIUDELAE-UKRRQHHQSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1cncn1C ZINC001422038340 1009424434 /nfs/dbraw/zinc/42/44/34/1009424434.db2.gz GGSBIJVFEJNZRX-HIFRSBDPSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001422150547 1009557832 /nfs/dbraw/zinc/55/78/32/1009557832.db2.gz DEGKMCLJCHWVEK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001434185655 1009642492 /nfs/dbraw/zinc/64/24/92/1009642492.db2.gz WNZVHUYXFLCSBG-MRXNPFEDSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001442747999 1009695182 /nfs/dbraw/zinc/69/51/82/1009695182.db2.gz KMGVOLHHJYNGCO-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001442747999 1009695193 /nfs/dbraw/zinc/69/51/93/1009695193.db2.gz KMGVOLHHJYNGCO-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1sccc1Cl ZINC001422351003 1009933182 /nfs/dbraw/zinc/93/31/82/1009933182.db2.gz VJVXBRJOOZKVTJ-JTQLQIEISA-N 1 3 319.858 0.920 20 0 DCADHO CC1(N2CCOCC2)CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC001434534194 1010062741 /nfs/dbraw/zinc/06/27/41/1010062741.db2.gz LZZLMKGVRNOHCQ-CGZBRXJRSA-N 1 3 311.470 0.676 20 0 DCADHO CC(C)(O)[C@H](O)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001422443025 1010092408 /nfs/dbraw/zinc/09/24/08/1010092408.db2.gz SBUYUSZWSGZPHF-CQSZACIVSA-N 1 3 300.443 0.431 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001422463668 1010121747 /nfs/dbraw/zinc/12/17/47/1010121747.db2.gz RGYZLJHEHCGWGE-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001422466185 1010125919 /nfs/dbraw/zinc/12/59/19/1010125919.db2.gz WWLDFZPNDMYSBY-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001422466185 1010125927 /nfs/dbraw/zinc/12/59/27/1010125927.db2.gz WWLDFZPNDMYSBY-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001422548710 1010280330 /nfs/dbraw/zinc/28/03/30/1010280330.db2.gz GSEHBPJXZYIMKR-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1=O ZINC001422601157 1010385322 /nfs/dbraw/zinc/38/53/22/1010385322.db2.gz JLSGONLXZSYIDR-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001422647315 1010451825 /nfs/dbraw/zinc/45/18/25/1010451825.db2.gz ULPRLOSHTJCXHN-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001422647315 1010451829 /nfs/dbraw/zinc/45/18/29/1010451829.db2.gz ULPRLOSHTJCXHN-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CN1CCN(C)[C@@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC001477868537 1017309128 /nfs/dbraw/zinc/30/91/28/1017309128.db2.gz KSTXHVCIZJYAEI-HNNXBMFYSA-N 1 3 316.409 0.379 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001422884181 1010698794 /nfs/dbraw/zinc/69/87/94/1010698794.db2.gz VNUHAYOHRADKCE-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001422884181 1010698801 /nfs/dbraw/zinc/69/88/01/1010698801.db2.gz VNUHAYOHRADKCE-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC(=O)N(C)C ZINC001443941930 1010765286 /nfs/dbraw/zinc/76/52/86/1010765286.db2.gz QYLUIDHLCQWNRA-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC(=O)N(C)C ZINC001443941930 1010765295 /nfs/dbraw/zinc/76/52/95/1010765295.db2.gz QYLUIDHLCQWNRA-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H](CNCC(N)=O)C1CC1 ZINC001422989398 1010790731 /nfs/dbraw/zinc/79/07/31/1010790731.db2.gz OYMLASJVUYGVBY-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H](CNCC(N)=O)C1CC1 ZINC001422989398 1010790735 /nfs/dbraw/zinc/79/07/35/1010790735.db2.gz OYMLASJVUYGVBY-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001444001275 1010797030 /nfs/dbraw/zinc/79/70/30/1010797030.db2.gz IHPHPOUGTBBBSM-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH+]1CCC(CN2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC001423038808 1010830008 /nfs/dbraw/zinc/83/00/08/1010830008.db2.gz GHZQXXZJPZLQNI-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(CNCC(N)=O)CCCC[C@H]1C ZINC001444153559 1010884569 /nfs/dbraw/zinc/88/45/69/1010884569.db2.gz MLRWBVJDLYACMA-CJNGLKHVSA-N 1 3 312.458 0.468 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(CNCC(N)=O)CCCC[C@H]1C ZINC001444153559 1010884574 /nfs/dbraw/zinc/88/45/74/1010884574.db2.gz MLRWBVJDLYACMA-CJNGLKHVSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H]1CCCN(C)C1=O ZINC001423110113 1010896045 /nfs/dbraw/zinc/89/60/45/1010896045.db2.gz QFPUHQFKZMVCPV-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001423224369 1010995008 /nfs/dbraw/zinc/99/50/08/1010995008.db2.gz CALMBCUTMJAPPG-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001423224369 1010995012 /nfs/dbraw/zinc/99/50/12/1010995012.db2.gz CALMBCUTMJAPPG-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@H]([NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1)C(N)=O ZINC001444500082 1011043043 /nfs/dbraw/zinc/04/30/43/1011043043.db2.gz OPZCQTVMZBHHMV-LBPRGKRZSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001444639481 1011109035 /nfs/dbraw/zinc/10/90/35/1011109035.db2.gz LTDOXDCNNGGFOO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001423421184 1011138009 /nfs/dbraw/zinc/13/80/09/1011138009.db2.gz WEWWSHQXABHZOM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]CC1CC(F)(F)C1 ZINC001423499986 1011190601 /nfs/dbraw/zinc/19/06/01/1011190601.db2.gz VLMFXPVLUGIWGC-CYBMUJFWSA-N 1 3 321.412 0.781 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN(CCn2cncn2)C1 ZINC001423572909 1011287673 /nfs/dbraw/zinc/28/76/73/1011287673.db2.gz KDOYKEOWADYAHD-HNNXBMFYSA-N 1 3 308.430 0.201 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001423641776 1011381154 /nfs/dbraw/zinc/38/11/54/1011381154.db2.gz GCSWNKCAXFHDJO-XJKSGUPXSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001456674158 1011389513 /nfs/dbraw/zinc/38/95/13/1011389513.db2.gz YBYCHUDSKBMOOA-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CN(CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001423689346 1011423769 /nfs/dbraw/zinc/42/37/69/1011423769.db2.gz UQGBRZRJLCXZIK-UHFFFAOYSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001431691923 1011550567 /nfs/dbraw/zinc/55/05/67/1011550567.db2.gz BYMDXTKQQHOJST-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001431691923 1011550581 /nfs/dbraw/zinc/55/05/81/1011550581.db2.gz BYMDXTKQQHOJST-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001431777089 1011638568 /nfs/dbraw/zinc/63/85/68/1011638568.db2.gz KYRNJTLTXTVIKK-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001431777089 1011638579 /nfs/dbraw/zinc/63/85/79/1011638579.db2.gz KYRNJTLTXTVIKK-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445478785 1011806332 /nfs/dbraw/zinc/80/63/32/1011806332.db2.gz FVCASNAQAATDTG-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001432046483 1011905653 /nfs/dbraw/zinc/90/56/53/1011905653.db2.gz ZIZHWBPUCOSUQV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001432046483 1011905665 /nfs/dbraw/zinc/90/56/65/1011905665.db2.gz ZIZHWBPUCOSUQV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COc1cc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001424064531 1011941728 /nfs/dbraw/zinc/94/17/28/1011941728.db2.gz NXXZCVYKTITBQU-OLZOCXBDSA-N 1 3 324.425 0.819 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001553437946 1011975587 /nfs/dbraw/zinc/97/55/87/1011975587.db2.gz DSUXJYKBCKZZIT-LSDHHAIUSA-N 1 3 324.469 0.738 20 0 DCADHO [NH3+][C@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC12CCOCC2 ZINC001553451930 1011987341 /nfs/dbraw/zinc/98/73/41/1011987341.db2.gz WWMXADCXZZZPHD-OCCSQVGLSA-N 1 3 308.426 0.372 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC001553451598 1011989114 /nfs/dbraw/zinc/98/91/14/1011989114.db2.gz UDAWLFOYBXADGG-FMKPAKJESA-N 1 3 310.442 0.539 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001445608233 1011997373 /nfs/dbraw/zinc/99/73/73/1011997373.db2.gz XJRNHJHQBCVALM-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@H]([NH3+])C2(C1)CCOCC2 ZINC001553467451 1012004063 /nfs/dbraw/zinc/00/40/63/1012004063.db2.gz XCQUEHHOKGPLNG-YUELXQCFSA-N 1 3 322.453 0.618 20 0 DCADHO [NH3+]C1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCCCC1 ZINC001553491020 1012023759 /nfs/dbraw/zinc/02/37/59/1012023759.db2.gz JPDYIQGTZWJPOC-LSDHHAIUSA-N 1 3 324.469 0.889 20 0 DCADHO C[C@]1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCC[NH2+]C1 ZINC001553498197 1012034735 /nfs/dbraw/zinc/03/47/35/1012034735.db2.gz RUQTWMMWCWQSEY-UXLLHSPISA-N 1 3 324.469 0.617 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553499781 1012038708 /nfs/dbraw/zinc/03/87/08/1012038708.db2.gz BXMRMAAEXQBVSV-LXTVHRRPSA-N 1 3 310.442 0.497 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001458305024 1012132600 /nfs/dbraw/zinc/13/26/00/1012132600.db2.gz LZWSTSKWTRTHAI-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001458305024 1012132605 /nfs/dbraw/zinc/13/26/05/1012132605.db2.gz LZWSTSKWTRTHAI-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001424296635 1012325880 /nfs/dbraw/zinc/32/58/80/1012325880.db2.gz VJLZZXYLJGVLQF-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001424297737 1012326290 /nfs/dbraw/zinc/32/62/90/1012326290.db2.gz VYZXCQYQDNOVON-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001424297737 1012326305 /nfs/dbraw/zinc/32/63/05/1012326305.db2.gz VYZXCQYQDNOVON-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001424331601 1012385819 /nfs/dbraw/zinc/38/58/19/1012385819.db2.gz NBVBENQPDIKFBM-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001424331601 1012385828 /nfs/dbraw/zinc/38/58/28/1012385828.db2.gz NBVBENQPDIKFBM-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001559919140 1012432604 /nfs/dbraw/zinc/43/26/04/1012432604.db2.gz AHPWBBVKKLXWAW-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCC([N@H+]2CCCN([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001559919140 1012432611 /nfs/dbraw/zinc/43/26/11/1012432611.db2.gz AHPWBBVKKLXWAW-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)(C(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1)N1CCCC1 ZINC001445962788 1012464281 /nfs/dbraw/zinc/46/42/81/1012464281.db2.gz UNMWJFDDACRAAH-KGLIPLIRSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001432440380 1012487730 /nfs/dbraw/zinc/48/77/30/1012487730.db2.gz OFPCXJZKASPLSU-UHFFFAOYSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC001424530632 1012621379 /nfs/dbraw/zinc/62/13/79/1012621379.db2.gz KKMNIGUDNYQIQQ-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO C[NH+](C)CCC(=O)N1CCN(C2CN(CC3CCCC3)C2)CC1 ZINC001424534078 1012624585 /nfs/dbraw/zinc/62/45/85/1012624585.db2.gz STUFKLKGAAPUHS-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001459226550 1012638315 /nfs/dbraw/zinc/63/83/15/1012638315.db2.gz WNUIUEZORAKOQP-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001459226550 1012638322 /nfs/dbraw/zinc/63/83/22/1012638322.db2.gz WNUIUEZORAKOQP-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CN1CCNC[C@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC001548561557 1012717407 /nfs/dbraw/zinc/71/74/07/1012717407.db2.gz AUCJPPBORROVDU-RWUOKQAASA-N 1 3 306.454 0.160 20 0 DCADHO CC1(C)CN(C(=O)c2csc(CC[NH3+])n2)CC2(CNC2)O1 ZINC001548579303 1012755531 /nfs/dbraw/zinc/75/55/31/1012755531.db2.gz RZDONTMLYUCJBH-UHFFFAOYSA-N 1 3 310.423 0.237 20 0 DCADHO CN1CCC[C@@H](N2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001446565551 1012837915 /nfs/dbraw/zinc/83/79/15/1012837915.db2.gz ROKJIMUXABFCMA-RHSMWYFYSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1ncoc1CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001446750978 1012947999 /nfs/dbraw/zinc/94/79/99/1012947999.db2.gz YHYQZBFKKHMOMI-CJNGLKHVSA-N 1 3 322.409 0.130 20 0 DCADHO Cc1ncoc1CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001446750978 1012948019 /nfs/dbraw/zinc/94/80/19/1012948019.db2.gz YHYQZBFKKHMOMI-CJNGLKHVSA-N 1 3 322.409 0.130 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[N@@H+]2C1 ZINC001548726564 1013044362 /nfs/dbraw/zinc/04/43/62/1013044362.db2.gz CBTVTBCATDZAFF-OLMNGRFOSA-N 1 3 307.438 0.384 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[N@H+]2C1 ZINC001548726564 1013044378 /nfs/dbraw/zinc/04/43/78/1013044378.db2.gz CBTVTBCATDZAFF-OLMNGRFOSA-N 1 3 307.438 0.384 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001479578156 1017588800 /nfs/dbraw/zinc/58/88/00/1017588800.db2.gz GGJJKAVBNDMMLE-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001506841380 1017603542 /nfs/dbraw/zinc/60/35/42/1017603542.db2.gz AZNPVTZIAANQQR-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H]1CCN(C)C1=O ZINC001479838892 1017853814 /nfs/dbraw/zinc/85/38/14/1017853814.db2.gz IPLDHWVULSAXCC-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@@H]1CCN(C)C1=O ZINC001479838892 1017853834 /nfs/dbraw/zinc/85/38/34/1017853834.db2.gz IPLDHWVULSAXCC-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001494632289 1017888095 /nfs/dbraw/zinc/88/80/95/1017888095.db2.gz HSFAUCSVUWSZPR-DOTOQJQBSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497272261 1018010703 /nfs/dbraw/zinc/01/07/03/1018010703.db2.gz QYYDTDQUSXRODB-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001497272261 1018010722 /nfs/dbraw/zinc/01/07/22/1018010722.db2.gz QYYDTDQUSXRODB-NWDGAFQWSA-N 1 3 311.455 0.864 20 0 DCADHO CCn1nncc1CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061345 1018172398 /nfs/dbraw/zinc/17/23/98/1018172398.db2.gz HZHONESJWAEFEP-UKRRQHHQSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480061345 1018172416 /nfs/dbraw/zinc/17/24/16/1018172416.db2.gz HZHONESJWAEFEP-UKRRQHHQSA-N 1 3 320.441 0.234 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480078410 1018189998 /nfs/dbraw/zinc/18/99/98/1018189998.db2.gz LBJXDMOIVKKBKL-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001480078410 1018190006 /nfs/dbraw/zinc/19/00/06/1018190006.db2.gz LBJXDMOIVKKBKL-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001497679443 1018331053 /nfs/dbraw/zinc/33/10/53/1018331053.db2.gz IFKWYNYNBWJBTB-VQGNRHNMSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CC[C@H](NC/C=C\CNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001497679443 1018331065 /nfs/dbraw/zinc/33/10/65/1018331065.db2.gz IFKWYNYNBWJBTB-VQGNRHNMSA-N 1 3 322.453 0.211 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001500229965 1018333718 /nfs/dbraw/zinc/33/37/18/1018333718.db2.gz JIUCLLUECONJAE-WCQYABFASA-N 1 3 321.425 0.081 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001500229965 1018333727 /nfs/dbraw/zinc/33/37/27/1018333727.db2.gz JIUCLLUECONJAE-WCQYABFASA-N 1 3 321.425 0.081 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001480237523 1018349746 /nfs/dbraw/zinc/34/97/46/1018349746.db2.gz BQDAOQMNZVEVJC-QLFBSQMISA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001500404875 1018443324 /nfs/dbraw/zinc/44/33/24/1018443324.db2.gz LKHVXNDVCCBNPX-CZUORRHYSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480367937 1018468315 /nfs/dbraw/zinc/46/83/15/1018468315.db2.gz SIDNXSUHOFHITB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480367937 1018468322 /nfs/dbraw/zinc/46/83/22/1018468322.db2.gz SIDNXSUHOFHITB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001480528425 1018632751 /nfs/dbraw/zinc/63/27/51/1018632751.db2.gz VZYYCYJVUAPVGN-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001480537201 1018638716 /nfs/dbraw/zinc/63/87/16/1018638716.db2.gz MNQYOHHLPNXYCM-ABAIWWIYSA-N 1 3 316.421 0.039 20 0 DCADHO CNC(=O)CN[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001480537201 1018638721 /nfs/dbraw/zinc/63/87/21/1018638721.db2.gz MNQYOHHLPNXYCM-ABAIWWIYSA-N 1 3 316.421 0.039 20 0 DCADHO CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001500766451 1018643776 /nfs/dbraw/zinc/64/37/76/1018643776.db2.gz NUTGHGCGIZZPNC-QGZVFWFLSA-N 1 3 305.422 0.935 20 0 DCADHO CC[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001500766451 1018643781 /nfs/dbraw/zinc/64/37/81/1018643781.db2.gz NUTGHGCGIZZPNC-QGZVFWFLSA-N 1 3 305.422 0.935 20 0 DCADHO COc1cncc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001495807443 1018707927 /nfs/dbraw/zinc/70/79/27/1018707927.db2.gz CFDKLEZGKAIGEI-OLZOCXBDSA-N 1 3 321.425 0.279 20 0 DCADHO COc1cncc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001495807443 1018707938 /nfs/dbraw/zinc/70/79/38/1018707938.db2.gz CFDKLEZGKAIGEI-OLZOCXBDSA-N 1 3 321.425 0.279 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001498172204 1018715597 /nfs/dbraw/zinc/71/55/97/1018715597.db2.gz KUTYGVOXSPQJKN-CMPLNLGQSA-N 1 3 317.397 0.134 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001496028010 1018982850 /nfs/dbraw/zinc/98/28/50/1018982850.db2.gz KWTCFYCETYMJLN-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001496169628 1019130594 /nfs/dbraw/zinc/13/05/94/1019130594.db2.gz LDLUPOJAFGREGY-STQMWFEESA-N 1 3 321.425 0.305 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001496205988 1019161670 /nfs/dbraw/zinc/16/16/70/1019161670.db2.gz FMTGPOSVFJKXPA-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]C[C@@H](C)O ZINC001501496553 1019242619 /nfs/dbraw/zinc/24/26/19/1019242619.db2.gz FGCDOOSPQKPOMJ-CABCVRRESA-N 1 3 315.458 0.041 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)C1CC[NH+](C)CC1 ZINC001498606410 1019260997 /nfs/dbraw/zinc/26/09/97/1019260997.db2.gz JMJATKLFUFGSAW-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001501647054 1019350286 /nfs/dbraw/zinc/35/02/86/1019350286.db2.gz AWDDESYRUIVRDQ-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001501709934 1019403317 /nfs/dbraw/zinc/40/33/17/1019403317.db2.gz CYLBJGIHYJKTOM-KLHDSHLOSA-N 1 3 311.470 0.974 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001498817896 1019449199 /nfs/dbraw/zinc/44/91/99/1019449199.db2.gz ZISKYDPWEYENTQ-CQSZACIVSA-N 1 3 320.441 0.141 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001501940135 1019572710 /nfs/dbraw/zinc/57/27/10/1019572710.db2.gz KZGCATITVQDLAK-MFHOCJEASA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001501940135 1019572723 /nfs/dbraw/zinc/57/27/23/1019572723.db2.gz KZGCATITVQDLAK-MFHOCJEASA-N 1 3 324.469 0.457 20 0 DCADHO CCn1cc(CC[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)cn1 ZINC001493694816 1019639628 /nfs/dbraw/zinc/63/96/28/1019639628.db2.gz JJFIUPXGKVLJNZ-OAHLLOKOSA-N 1 3 321.469 0.835 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001499050029 1019683387 /nfs/dbraw/zinc/68/33/87/1019683387.db2.gz MDQOMUFTTXFQCJ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494049086 1019946576 /nfs/dbraw/zinc/94/65/76/1019946576.db2.gz UTAXBNXUCIYKQD-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001494146146 1020016716 /nfs/dbraw/zinc/01/67/16/1020016716.db2.gz NDGFYNWWTSWAHY-RRFJBIMHSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001494146146 1020016729 /nfs/dbraw/zinc/01/67/29/1020016729.db2.gz NDGFYNWWTSWAHY-RRFJBIMHSA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+](CC)[C@@H]1CCN(C)C1=O)N(C)C ZINC001660614205 1174023337 /nfs/dbraw/zinc/02/33/37/1174023337.db2.gz QQQNWNOUFNAVLD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+](CC)[C@@H]1CCN(C)C1=O)N(C)C ZINC001660614205 1174023346 /nfs/dbraw/zinc/02/33/46/1174023346.db2.gz QQQNWNOUFNAVLD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC2CCC([NH+](C)C)CC2)CC1=O ZINC000422008257 282103383 /nfs/dbraw/zinc/10/33/83/282103383.db2.gz PGRKSUSHPBPOMA-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000272757818 210160969 /nfs/dbraw/zinc/16/09/69/210160969.db2.gz PJEJFGDUAPSULR-XJKSGUPXSA-N 1 3 305.422 0.867 20 0 DCADHO C[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000343634377 295735672 /nfs/dbraw/zinc/73/56/72/295735672.db2.gz WOWWOEUJGVMPGQ-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCCNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000071699817 191010225 /nfs/dbraw/zinc/01/02/25/191010225.db2.gz DUEWIFBCNHPVLH-UHFFFAOYSA-N 1 3 304.438 0.903 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000303982392 295859004 /nfs/dbraw/zinc/85/90/04/295859004.db2.gz GJKFGBKYTQZQNV-GJZGRUSLSA-N 1 3 314.474 0.719 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422284142 535218800 /nfs/dbraw/zinc/21/88/00/535218800.db2.gz PDADINBSLDTSBO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422284142 535218809 /nfs/dbraw/zinc/21/88/09/535218809.db2.gz PDADINBSLDTSBO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000566104093 291269412 /nfs/dbraw/zinc/26/94/12/291269412.db2.gz ALTPUZITUTZZRU-HUUCEWRRSA-N 1 3 311.474 0.583 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000566233097 291285411 /nfs/dbraw/zinc/28/54/11/291285411.db2.gz GYSALRCVYJJEDT-CQDKDKBSSA-N 1 3 316.829 0.948 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000566511703 291310483 /nfs/dbraw/zinc/31/04/83/291310483.db2.gz AMJZOZKVICAHIV-RRFJBIMHSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000422457600 240157534 /nfs/dbraw/zinc/15/75/34/240157534.db2.gz UFBZPHTXHMENIM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000422457600 240157539 /nfs/dbraw/zinc/15/75/39/240157539.db2.gz UFBZPHTXHMENIM-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC000430283438 240390618 /nfs/dbraw/zinc/39/06/18/240390618.db2.gz JNKGMEJXQGWGNZ-MRXNPFEDSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C(C)(C)C)nn1 ZINC000567299046 291347635 /nfs/dbraw/zinc/34/76/35/291347635.db2.gz XCZVFDJUVYFGLN-UHFFFAOYSA-N 1 3 310.446 0.599 20 0 DCADHO COCCNCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000567275407 291346632 /nfs/dbraw/zinc/34/66/32/291346632.db2.gz JLTOPLITYFMIFY-UHFFFAOYSA-N 1 3 307.398 0.008 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567407833 291354129 /nfs/dbraw/zinc/35/41/29/291354129.db2.gz LJQDPSFXDWLDNF-DZGCQCFKSA-N 1 3 316.405 0.132 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000567736071 291373847 /nfs/dbraw/zinc/37/38/47/291373847.db2.gz GEUVJDKBHQQIEO-DLBZAZTESA-N 1 3 322.497 0.861 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000567743505 291374665 /nfs/dbraw/zinc/37/46/65/291374665.db2.gz QZTGITCXFSJWPE-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000567821554 291380659 /nfs/dbraw/zinc/38/06/59/291380659.db2.gz CKMFMBPPMUPSIC-KBPBESRZSA-N 1 3 313.490 0.828 20 0 DCADHO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)NC1CCN(C2CC2)CC1 ZINC000567990184 291396014 /nfs/dbraw/zinc/39/60/14/291396014.db2.gz DROHAYCBPKYKNB-GOSISDBHSA-N 1 3 320.481 0.805 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000569571610 291485284 /nfs/dbraw/zinc/48/52/84/291485284.db2.gz LQFMTMQPWGIHLM-PBHICJAKSA-N 1 3 323.437 0.377 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C(C)(C)O ZINC000572249111 291556881 /nfs/dbraw/zinc/55/68/81/291556881.db2.gz NPFKDABBCIJKLN-UHFFFAOYSA-N 1 3 316.490 0.918 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N(C)CCC[NH3+])CC1 ZINC000573579361 291641919 /nfs/dbraw/zinc/64/19/19/291641919.db2.gz SNJDJXLHQJURFB-UHFFFAOYSA-N 1 3 300.447 0.866 20 0 DCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC3CNC3)C2)CC1 ZINC000574385966 291691161 /nfs/dbraw/zinc/69/11/61/291691161.db2.gz SEMOOLARXBBCAV-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339574619 253107065 /nfs/dbraw/zinc/10/70/65/253107065.db2.gz AJMBRIOTJVQUQI-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339574619 253107068 /nfs/dbraw/zinc/10/70/68/253107068.db2.gz AJMBRIOTJVQUQI-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC)CC2)C1 ZINC000339666633 253123128 /nfs/dbraw/zinc/12/31/28/253123128.db2.gz HBJRNKJWFXDDEQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC)CC2)C1 ZINC000339666633 253123129 /nfs/dbraw/zinc/12/31/29/253123129.db2.gz HBJRNKJWFXDDEQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)N(C)C1CC1 ZINC000339962702 253171231 /nfs/dbraw/zinc/17/12/31/253171231.db2.gz NSHCAQSJHMGAQZ-GFCCVEGCSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000340211120 253217754 /nfs/dbraw/zinc/21/77/54/253217754.db2.gz ZXFMSGDQUOTFEB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)C1CC1 ZINC000340479958 253261392 /nfs/dbraw/zinc/26/13/92/253261392.db2.gz NTKXXMIKLFRFEV-NFAWXSAZSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N(C)C1CC1 ZINC000340479958 253261395 /nfs/dbraw/zinc/26/13/95/253261395.db2.gz NTKXXMIKLFRFEV-NFAWXSAZSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCN1C ZINC000341142641 253349001 /nfs/dbraw/zinc/34/90/01/253349001.db2.gz NQAJQWARWPQYBY-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO CCc1nn(C)c(CC)c1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347088513 254127962 /nfs/dbraw/zinc/12/79/62/254127962.db2.gz FFVVLYQNEJCXRH-ZDUSSCGKSA-N 1 3 321.469 0.832 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC[N@@H+]1C ZINC000347967786 254206248 /nfs/dbraw/zinc/20/62/48/254206248.db2.gz HARXVRPDLNQMOI-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC[N@H+]1C ZINC000347967786 254206249 /nfs/dbraw/zinc/20/62/49/254206249.db2.gz HARXVRPDLNQMOI-RDBSUJKOSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000347999990 254211178 /nfs/dbraw/zinc/21/11/78/254211178.db2.gz GFFWODWXLDYFAV-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO O=C(NCC1CCN(CCO)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000349722195 254294623 /nfs/dbraw/zinc/29/46/23/254294623.db2.gz KKFWXIMQEKHVIY-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NCC1CCN(CCO)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000349722195 254294624 /nfs/dbraw/zinc/29/46/24/254294624.db2.gz KKFWXIMQEKHVIY-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCOC1C[NH2+]C1 ZINC000348987853 254267919 /nfs/dbraw/zinc/26/79/19/254267919.db2.gz ABLMTIXFFOGHQD-OAHLLOKOSA-N 1 3 305.422 0.654 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)N(C)C ZINC000349074934 254272124 /nfs/dbraw/zinc/27/21/24/254272124.db2.gz AJJYPDQJDTXDRJ-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000349909795 254303832 /nfs/dbraw/zinc/30/38/32/254303832.db2.gz ZODAAQSOJLGEOK-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000351562153 254347228 /nfs/dbraw/zinc/34/72/28/254347228.db2.gz JIJUCHTYMZCBLM-AWEZNQCLSA-N 1 3 304.394 0.555 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351689036 254358796 /nfs/dbraw/zinc/35/87/96/254358796.db2.gz YVQDNADOQBRZTP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000417097160 262245579 /nfs/dbraw/zinc/24/55/79/262245579.db2.gz WXHKPTAABNSZTG-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO C[NH2+]CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417111849 262246009 /nfs/dbraw/zinc/24/60/09/262246009.db2.gz MCFIBIJBCDUKMR-UHFFFAOYSA-N 1 3 300.472 0.867 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000236606328 395895286 /nfs/dbraw/zinc/89/52/86/395895286.db2.gz CKPSWYBFIIMWMW-ZIAGYGMSSA-N 1 3 312.458 0.228 20 0 DCADHO CC(C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000236723337 395897098 /nfs/dbraw/zinc/89/70/98/395897098.db2.gz IOFSURQFLIIWAV-RDBSUJKOSA-N 1 3 310.442 0.077 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236840031 395898540 /nfs/dbraw/zinc/89/85/40/395898540.db2.gz OCDLFWPOBRCCSZ-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000153375521 396024187 /nfs/dbraw/zinc/02/41/87/396024187.db2.gz AJIFFYOOCJDOAZ-HOCLYGCPSA-N 1 3 313.442 0.059 20 0 DCADHO COc1ccc(OCCN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261627291 396050538 /nfs/dbraw/zinc/05/05/38/396050538.db2.gz BNUWIBGLXRJDTO-CQSZACIVSA-N 1 3 321.421 0.861 20 0 DCADHO COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000261820300 396069847 /nfs/dbraw/zinc/06/98/47/396069847.db2.gz WNRFDSQRAHBRLH-CQSZACIVSA-N 1 3 321.421 0.991 20 0 DCADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276579939 396012642 /nfs/dbraw/zinc/01/26/42/396012642.db2.gz CGGGKQIOKWLZBJ-BZUAXINKSA-N 1 3 303.406 0.490 20 0 DCADHO c1[nH]nc(-c2cccnc2)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262096482 396098682 /nfs/dbraw/zinc/09/86/82/396098682.db2.gz HWHLRGIYZVPFFC-MRXNPFEDSA-N 1 3 312.421 0.951 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCN(C)CCOC)C1 ZINC000171201008 396110901 /nfs/dbraw/zinc/11/09/01/396110901.db2.gz UJTSDCRDVWSRDJ-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCN(C)CCOC)C1 ZINC000171201008 396110903 /nfs/dbraw/zinc/11/09/03/396110903.db2.gz UJTSDCRDVWSRDJ-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO COCCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@@H]1C ZINC000278949860 396142575 /nfs/dbraw/zinc/14/25/75/396142575.db2.gz HAQOTAJQWLKESB-QWHCGFSZSA-N 1 3 321.425 0.279 20 0 DCADHO CCN(CCNC(=O)C1(n2cccn2)CC[NH2+]CC1)C1CC1 ZINC000262368203 396130794 /nfs/dbraw/zinc/13/07/94/396130794.db2.gz VVIGTQDAHXDCPT-UHFFFAOYSA-N 1 3 305.426 0.562 20 0 DCADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1C[C@H](O)CN1 ZINC000262387111 396134397 /nfs/dbraw/zinc/13/43/97/396134397.db2.gz MFYFYLRCUQCEEP-JKSUJKDBSA-N 1 3 303.406 0.986 20 0 DCADHO C[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000261891449 396076473 /nfs/dbraw/zinc/07/64/73/396076473.db2.gz TYGXTHUJQGTNHK-IUODEOHRSA-N 1 3 318.421 0.347 20 0 DCADHO C[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000261891449 396076476 /nfs/dbraw/zinc/07/64/76/396076476.db2.gz TYGXTHUJQGTNHK-IUODEOHRSA-N 1 3 318.421 0.347 20 0 DCADHO C[C@@H](N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262645052 396167760 /nfs/dbraw/zinc/16/77/60/396167760.db2.gz JUUYIMVGCDEPCC-CZUORRHYSA-N 1 3 305.422 0.895 20 0 DCADHO C[C@H](CNC(=O)[C@@](C)(N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000262762858 396179315 /nfs/dbraw/zinc/17/93/15/396179315.db2.gz AMGYIBSZSXRJOT-QAPCUYQASA-N 1 3 318.465 0.860 20 0 DCADHO C[C@@H]([NH3+])CCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262818333 396184862 /nfs/dbraw/zinc/18/48/62/396184862.db2.gz SAPUVLXWIMTABB-CYBMUJFWSA-N 1 3 320.437 0.722 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(CO)c1 ZINC000077822030 396235060 /nfs/dbraw/zinc/23/50/60/396235060.db2.gz BLCFIBNLGPSYGQ-UHFFFAOYSA-N 1 3 322.453 0.814 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079490934 396265923 /nfs/dbraw/zinc/26/59/23/396265923.db2.gz LKRHWZAOYJOXHU-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079490934 396265924 /nfs/dbraw/zinc/26/59/24/396265924.db2.gz LKRHWZAOYJOXHU-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000580893050 396508845 /nfs/dbraw/zinc/50/88/45/396508845.db2.gz VVSWWJGDLBDHGQ-SNVBAGLBSA-N 1 3 317.459 0.029 20 0 DCADHO C[C@]1(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000581428480 396553933 /nfs/dbraw/zinc/55/39/33/396553933.db2.gz JYGOQGLCZRTQMA-DZGCQCFKSA-N 1 3 306.414 0.433 20 0 DCADHO CCOCC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373072996 396563864 /nfs/dbraw/zinc/56/38/64/396563864.db2.gz ABHOJNKJKWUIPL-YESZJQIVSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C[C@@H](O)C[N@H+](C)C3CC3)C2)CC1 ZINC000582329354 396604520 /nfs/dbraw/zinc/60/45/20/396604520.db2.gz MXHVAHGYDJPJCV-ROUUACIJSA-N 1 3 324.513 0.542 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)CC1 ZINC000582329354 396604522 /nfs/dbraw/zinc/60/45/22/396604522.db2.gz MXHVAHGYDJPJCV-ROUUACIJSA-N 1 3 324.513 0.542 20 0 DCADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Cn1cccn1 ZINC000584834657 396627560 /nfs/dbraw/zinc/62/75/60/396627560.db2.gz UUKNPGPZPMHTRQ-OWCLPIDISA-N 1 3 308.426 0.211 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000561199173 396633580 /nfs/dbraw/zinc/63/35/80/396633580.db2.gz PMAUIBCSRAQHSY-KGLIPLIRSA-N 1 3 312.458 0.785 20 0 DCADHO CCOC(=O)CC1(NC[C@@H](O)C[N@H+](C)C2CC2)CCOCC1 ZINC000595875972 396674141 /nfs/dbraw/zinc/67/41/41/396674141.db2.gz HZOUPGVLXRSNIW-CQSZACIVSA-N 1 3 314.426 0.534 20 0 DCADHO CCOC(=O)CC1(NC[C@@H](O)C[N@@H+](C)C2CC2)CCOCC1 ZINC000595875972 396674144 /nfs/dbraw/zinc/67/41/44/396674144.db2.gz HZOUPGVLXRSNIW-CQSZACIVSA-N 1 3 314.426 0.534 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000588699145 396688791 /nfs/dbraw/zinc/68/87/91/396688791.db2.gz FBYXKIJFBWBNGC-KGLIPLIRSA-N 1 3 308.426 0.021 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000588699145 396688793 /nfs/dbraw/zinc/68/87/93/396688793.db2.gz FBYXKIJFBWBNGC-KGLIPLIRSA-N 1 3 308.426 0.021 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000563198497 396713269 /nfs/dbraw/zinc/71/32/69/396713269.db2.gz DLAUBLFYNFBWPM-DZGCQCFKSA-N 1 3 305.426 0.879 20 0 DCADHO CC[NH2+]CCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000634076384 396785697 /nfs/dbraw/zinc/78/56/97/396785697.db2.gz PBLRIHIMTZHKLO-HNNXBMFYSA-N 1 3 311.474 0.407 20 0 DCADHO O=C(NCCCNC[C@@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000629561266 396788748 /nfs/dbraw/zinc/78/87/48/396788748.db2.gz HILBSQHGXGVPJM-MRXNPFEDSA-N 1 3 323.412 0.992 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC000563952725 396797125 /nfs/dbraw/zinc/79/71/25/396797125.db2.gz QYDKMDWBRSEYAH-LSDHHAIUSA-N 1 3 300.443 0.864 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC000563952725 396797134 /nfs/dbraw/zinc/79/71/34/396797134.db2.gz QYDKMDWBRSEYAH-LSDHHAIUSA-N 1 3 300.443 0.864 20 0 DCADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000563952725 396797141 /nfs/dbraw/zinc/79/71/41/396797141.db2.gz QYDKMDWBRSEYAH-LSDHHAIUSA-N 1 3 300.443 0.864 20 0 DCADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCC[C@H]1C(N)=O ZINC000629515759 396775571 /nfs/dbraw/zinc/77/55/71/396775571.db2.gz WSCINQRYZDQQIL-OIISXLGYSA-N 1 3 318.465 0.874 20 0 DCADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000629515759 396775577 /nfs/dbraw/zinc/77/55/77/396775577.db2.gz WSCINQRYZDQQIL-OIISXLGYSA-N 1 3 318.465 0.874 20 0 DCADHO CN1CCC[C@]2(CCN(C(=O)NCCCN3CC[NH2+]CC3)C2)C1 ZINC000634191265 396810055 /nfs/dbraw/zinc/81/00/55/396810055.db2.gz PNFDAJVLIAJUFT-KRWDZBQOSA-N 1 3 323.485 0.409 20 0 DCADHO CC[C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(C)C ZINC000629613978 396810274 /nfs/dbraw/zinc/81/02/74/396810274.db2.gz ULVCWTGZINGENP-MNOVXSKESA-N 1 3 310.364 0.279 20 0 DCADHO CC[NH+](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000376486107 396936845 /nfs/dbraw/zinc/93/68/45/396936845.db2.gz QNVBDDMPEQVKEL-GOOCMWNKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340265678 396967568 /nfs/dbraw/zinc/96/75/68/396967568.db2.gz QDNHCJSYRBBIRN-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000340265678 396967573 /nfs/dbraw/zinc/96/75/73/396967573.db2.gz QDNHCJSYRBBIRN-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000339580116 396959643 /nfs/dbraw/zinc/95/96/43/396959643.db2.gz FXVIPOWSPWVLKA-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000339580116 396959652 /nfs/dbraw/zinc/95/96/52/396959652.db2.gz FXVIPOWSPWVLKA-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343173705 396993870 /nfs/dbraw/zinc/99/38/70/396993870.db2.gz PUZXEAUERSSFIQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCN(C)C ZINC000343173705 396993878 /nfs/dbraw/zinc/99/38/78/396993878.db2.gz PUZXEAUERSSFIQ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000572269746 397041264 /nfs/dbraw/zinc/04/12/64/397041264.db2.gz LLDPIPBVXDDFHV-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000618987035 397052602 /nfs/dbraw/zinc/05/26/02/397052602.db2.gz LZIAHNFKYYIIHV-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H](C)[NH2+]C3CC3)C2)CC1 ZINC000592219004 397134990 /nfs/dbraw/zinc/13/49/90/397134990.db2.gz CTFNLGPGMGHZME-GOEBONIOSA-N 1 3 308.470 0.754 20 0 DCADHO COc1ccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cc1O ZINC000630931300 397138187 /nfs/dbraw/zinc/13/81/87/397138187.db2.gz ODVCWDOBZHHPFB-UHFFFAOYSA-N 1 3 323.437 0.895 20 0 DCADHO COC[C@@]1(CNC(=O)N2CCCN(C(C)C)CC2)CCC[NH2+]1 ZINC000573190123 397143163 /nfs/dbraw/zinc/14/31/63/397143163.db2.gz AORKEWNUFBYRRO-INIZCTEOSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCSC1 ZINC000573553454 397179424 /nfs/dbraw/zinc/17/94/24/397179424.db2.gz PYHPQCNXWGJORU-ZDUSSCGKSA-N 1 3 302.488 0.874 20 0 DCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000573494897 397174247 /nfs/dbraw/zinc/17/42/47/397174247.db2.gz SNEIXVYILBQQPC-OAGGEKHMSA-N 1 3 310.486 0.987 20 0 DCADHO COC(=O)c1ccccc1OCCN(C)CCN1CC[NH2+]CC1 ZINC000592471974 397186091 /nfs/dbraw/zinc/18/60/91/397186091.db2.gz ASAYZBQFWWTVAI-UHFFFAOYSA-N 1 3 321.421 0.689 20 0 DCADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000592493950 397193428 /nfs/dbraw/zinc/19/34/28/397193428.db2.gz XJGWQULCYMVUSN-CHWSQXEVSA-N 1 3 308.426 0.686 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000364471206 397207467 /nfs/dbraw/zinc/20/74/67/397207467.db2.gz YNQHXFIXPDHVGF-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378304005 397225051 /nfs/dbraw/zinc/22/50/51/397225051.db2.gz IGXSNNUYNAWYRN-HZPDHXFCSA-N 1 3 310.486 0.811 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000574463758 397271324 /nfs/dbraw/zinc/27/13/24/397271324.db2.gz UZMVACPKXKSUAF-DOTOQJQBSA-N 1 3 305.422 0.428 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000574463758 397271329 /nfs/dbraw/zinc/27/13/29/397271329.db2.gz UZMVACPKXKSUAF-DOTOQJQBSA-N 1 3 305.422 0.428 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620482363 397279274 /nfs/dbraw/zinc/27/92/74/397279274.db2.gz NGXPAWYCDQTMSW-IIAWOOMASA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620482363 397279278 /nfs/dbraw/zinc/27/92/78/397279278.db2.gz NGXPAWYCDQTMSW-IIAWOOMASA-N 1 3 309.454 0.917 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000389859598 397298793 /nfs/dbraw/zinc/29/87/93/397298793.db2.gz CQPVLKCNYLYION-BVUBDWEXSA-N 1 3 303.406 0.346 20 0 DCADHO CCN(CCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C1CC1 ZINC000592959214 397304363 /nfs/dbraw/zinc/30/43/63/397304363.db2.gz PYAZFHNKMAIDLZ-LBPRGKRZSA-N 1 3 305.426 0.933 20 0 DCADHO CCN(CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C1CC1 ZINC000592959212 397304599 /nfs/dbraw/zinc/30/45/99/397304599.db2.gz PYAZFHNKMAIDLZ-GFCCVEGCSA-N 1 3 305.426 0.933 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398032466 397313443 /nfs/dbraw/zinc/31/34/43/397313443.db2.gz NWFFWXKBNGMEDD-WBVHZDCISA-N 1 3 316.449 0.671 20 0 DCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000577727659 397355642 /nfs/dbraw/zinc/35/56/42/397355642.db2.gz WOKHJFINUAUQPG-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419775821 397382684 /nfs/dbraw/zinc/38/26/84/397382684.db2.gz LIERBNNCHZVHLF-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419779862 397383104 /nfs/dbraw/zinc/38/31/04/397383104.db2.gz PZCGWDGPPYEZCJ-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000369051736 397432305 /nfs/dbraw/zinc/43/23/05/397432305.db2.gz YQHHTTGURAPKOO-BZUAXINKSA-N 1 3 322.453 0.729 20 0 DCADHO C[C@H]1CN(CCc2cnn(C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370150950 397447606 /nfs/dbraw/zinc/44/76/06/397447606.db2.gz TYEZGVFFPSKOMH-RDJZCZTQSA-N 1 3 305.470 0.920 20 0 DCADHO C[C@H]1CC2(CN1C(=O)C(=O)N1CC[C@@H](N(C)C)C1)CC[NH2+]CC2 ZINC000578879904 397496878 /nfs/dbraw/zinc/49/68/78/397496878.db2.gz UCAMMEMOLRAXAY-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604645917 397646439 /nfs/dbraw/zinc/64/64/39/397646439.db2.gz MUJXAEIVJPWCFR-CVEARBPZSA-N 1 3 323.485 0.502 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604645917 397646441 /nfs/dbraw/zinc/64/64/41/397646441.db2.gz MUJXAEIVJPWCFR-CVEARBPZSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)C1CC[NH+](C)CC1 ZINC000606699089 397686732 /nfs/dbraw/zinc/68/67/32/397686732.db2.gz DMIAWWRTGXKTEE-UKRRQHHQSA-N 1 3 312.458 0.689 20 0 DCADHO CC(C)NC(=O)CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607230119 397699238 /nfs/dbraw/zinc/69/92/38/397699238.db2.gz VLXWRKULVBQFNN-UHFFFAOYSA-N 1 3 315.462 0.036 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343778659 292337236 /nfs/dbraw/zinc/33/72/36/292337236.db2.gz ZKHPRIUEFJHZAP-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343778659 292337237 /nfs/dbraw/zinc/33/72/37/292337237.db2.gz ZKHPRIUEFJHZAP-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)CCn3cncn3)CC2)CC1 ZINC000050799577 158011762 /nfs/dbraw/zinc/01/17/62/158011762.db2.gz UQHGNKAKQSTFNF-UHFFFAOYSA-N 1 3 320.441 0.343 20 0 DCADHO CCN(CCO)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000187062205 287058216 /nfs/dbraw/zinc/05/82/16/287058216.db2.gz SJUWBOWUSUXXOF-UHFFFAOYSA-N 1 3 314.474 0.909 20 0 DCADHO CCN(CCO)CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000187096482 287058461 /nfs/dbraw/zinc/05/84/61/287058461.db2.gz ITSJYJYGZXDKNU-UHFFFAOYSA-N 1 3 300.447 0.476 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246434947 287083725 /nfs/dbraw/zinc/08/37/25/287083725.db2.gz BPZFBGNTXLLNSS-DZGCQCFKSA-N 1 3 300.447 0.473 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000354957805 287171823 /nfs/dbraw/zinc/17/18/23/287171823.db2.gz GZZLRZCVPFCDQO-KGLIPLIRSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000354957805 287171826 /nfs/dbraw/zinc/17/18/26/287171826.db2.gz GZZLRZCVPFCDQO-KGLIPLIRSA-N 1 3 310.442 0.369 20 0 DCADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(CC[NH3+])CCO)N(C)C ZINC000418179755 287241196 /nfs/dbraw/zinc/24/11/96/287241196.db2.gz JTLQRKZGBWSCCH-ZBFHGGJFSA-N 1 3 322.453 0.949 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418348002 287245235 /nfs/dbraw/zinc/24/52/35/287245235.db2.gz WGMVUTSQJMDOPT-GJZGRUSLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418337811 287244414 /nfs/dbraw/zinc/24/44/14/287244414.db2.gz BXFNKKKDFFDOID-RBSFLKMASA-N 1 3 312.458 0.473 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418957514 287258317 /nfs/dbraw/zinc/25/83/17/287258317.db2.gz ZZSYFRKQCKVZGK-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419023028 287262460 /nfs/dbraw/zinc/26/24/60/287262460.db2.gz IXKSTIVQNQQUNE-ILXRZTDVSA-N 1 3 324.469 0.339 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419147958 287268475 /nfs/dbraw/zinc/26/84/75/287268475.db2.gz CTYPHVZSCCRSRB-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335536 287291340 /nfs/dbraw/zinc/29/13/40/287291340.db2.gz HYMJRLVHOUFCDM-QWHCGFSZSA-N 1 3 310.442 0.932 20 0 DCADHO C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000331564606 415132647 /nfs/dbraw/zinc/13/26/47/415132647.db2.gz UJZHLVXVELPWJB-AWEZNQCLSA-N 1 3 324.469 0.711 20 0 DCADHO C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000331564606 415132653 /nfs/dbraw/zinc/13/26/53/415132653.db2.gz UJZHLVXVELPWJB-AWEZNQCLSA-N 1 3 324.469 0.711 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CCCC1 ZINC000331579817 415141268 /nfs/dbraw/zinc/14/12/68/415141268.db2.gz FQGVYDSEQWMNCF-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1c2ccc(C[NH2+]CC3(O)CCN(C)CC3)cc2oc1=O ZINC000352624665 415252453 /nfs/dbraw/zinc/25/24/53/415252453.db2.gz ASPMTCHQYXERTD-UHFFFAOYSA-N 1 3 305.378 0.678 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000342691399 415258879 /nfs/dbraw/zinc/25/88/79/415258879.db2.gz HPIFVKFAOQXMEM-AWEZNQCLSA-N 1 3 307.394 0.645 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000342765950 415285301 /nfs/dbraw/zinc/28/53/01/415285301.db2.gz RDENDRGGVUNODH-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO NC(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422890212 287301964 /nfs/dbraw/zinc/30/19/64/287301964.db2.gz ROCPAMQMYXTCJH-FZKCQIBNSA-N 1 3 308.470 0.837 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@H+](C)CC)CC1 ZINC000073897078 415423957 /nfs/dbraw/zinc/42/39/57/415423957.db2.gz GKDCDLLSAFLGFO-HNNXBMFYSA-N 1 3 313.490 0.511 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+](C)CC)CC1 ZINC000073897078 415423966 /nfs/dbraw/zinc/42/39/66/415423966.db2.gz GKDCDLLSAFLGFO-HNNXBMFYSA-N 1 3 313.490 0.511 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000343208522 415502812 /nfs/dbraw/zinc/50/28/12/415502812.db2.gz DBPAQZZHTMHGDN-JKSUJKDBSA-N 1 3 306.454 0.463 20 0 DCADHO CN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000343255703 415517824 /nfs/dbraw/zinc/51/78/24/415517824.db2.gz YHZRVDWEOWYPTE-ZACQAIPSSA-N 1 3 310.486 0.371 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CN)OC)[C@H](C)C1 ZINC000353441678 415546749 /nfs/dbraw/zinc/54/67/49/415546749.db2.gz AWUHAVPGTXJESU-HZSPNIEDSA-N 1 3 301.431 0.213 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](CN)OC)[C@H](C)C1 ZINC000353441678 415546758 /nfs/dbraw/zinc/54/67/58/415546758.db2.gz AWUHAVPGTXJESU-HZSPNIEDSA-N 1 3 301.431 0.213 20 0 DCADHO COCCN1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000105193215 415633513 /nfs/dbraw/zinc/63/35/13/415633513.db2.gz SXEYUEYTVIAFRZ-UHFFFAOYSA-N 1 3 312.458 0.738 20 0 DCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000333269324 415599470 /nfs/dbraw/zinc/59/94/70/415599470.db2.gz KEXBDAXTSAGXHP-CVEARBPZSA-N 1 3 311.470 0.975 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000343710663 415695778 /nfs/dbraw/zinc/69/57/78/415695778.db2.gz FWIXYJXHIVTUAM-HOTGVXAUSA-N 1 3 306.454 0.321 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCC1 ZINC000333663121 415708621 /nfs/dbraw/zinc/70/86/21/415708621.db2.gz LXFALXSXAKUUHB-ZDUSSCGKSA-N 1 3 310.442 0.763 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000130597490 415920685 /nfs/dbraw/zinc/92/06/85/415920685.db2.gz ZDNFBUOSAYZLIV-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000130597490 415920691 /nfs/dbraw/zinc/92/06/91/415920691.db2.gz ZDNFBUOSAYZLIV-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO C[NH2+]CC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000168095073 416024661 /nfs/dbraw/zinc/02/46/61/416024661.db2.gz HRAWGALNUKTHKM-MRXNPFEDSA-N 1 3 305.422 0.768 20 0 DCADHO CNCC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168095073 416024666 /nfs/dbraw/zinc/02/46/66/416024666.db2.gz HRAWGALNUKTHKM-MRXNPFEDSA-N 1 3 305.422 0.768 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000316432768 416116237 /nfs/dbraw/zinc/11/62/37/416116237.db2.gz JMXWRYJGTBXAIX-UHFFFAOYSA-N 1 3 302.382 0.228 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000357798178 416133243 /nfs/dbraw/zinc/13/32/43/416133243.db2.gz QXOKJCVDBQKDGE-QGZVFWFLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000345729453 416139653 /nfs/dbraw/zinc/13/96/53/416139653.db2.gz WYEDPNQYRWZOFV-MNOVXSKESA-N 1 3 320.384 0.028 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346457155 416195273 /nfs/dbraw/zinc/19/52/73/416195273.db2.gz MFJITBKQLBFCQV-ILXRZTDVSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346457155 416195276 /nfs/dbraw/zinc/19/52/76/416195276.db2.gz MFJITBKQLBFCQV-ILXRZTDVSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358142326 416200789 /nfs/dbraw/zinc/20/07/89/416200789.db2.gz QSZLSYVGDLIFBE-DOTOQJQBSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358142326 416200792 /nfs/dbraw/zinc/20/07/92/416200792.db2.gz QSZLSYVGDLIFBE-DOTOQJQBSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358142330 416200991 /nfs/dbraw/zinc/20/09/91/416200991.db2.gz QSZLSYVGDLIFBE-NVXWUHKLSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358142330 416200994 /nfs/dbraw/zinc/20/09/94/416200994.db2.gz QSZLSYVGDLIFBE-NVXWUHKLSA-N 1 3 322.497 0.861 20 0 DCADHO CCN1CCN(c2ccccc2CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000357965543 416161662 /nfs/dbraw/zinc/16/16/62/416161662.db2.gz KRIGWWHOVGITTM-KRWDZBQOSA-N 1 3 318.465 0.988 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000358703643 416270748 /nfs/dbraw/zinc/27/07/48/416270748.db2.gz HFUQWCIHABQNDJ-MRXNPFEDSA-N 1 3 312.458 0.617 20 0 DCADHO CO[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000359061613 416304725 /nfs/dbraw/zinc/30/47/25/416304725.db2.gz QLHYWFJJBIUUQX-CVEARBPZSA-N 1 3 324.469 0.168 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000359258461 416318015 /nfs/dbraw/zinc/31/80/15/416318015.db2.gz DRTSZVBHRQIBBD-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000359258461 416318017 /nfs/dbraw/zinc/31/80/17/416318017.db2.gz DRTSZVBHRQIBBD-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342070374 416278968 /nfs/dbraw/zinc/27/89/68/416278968.db2.gz ZSURBHAFHOWNIJ-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342070374 416278970 /nfs/dbraw/zinc/27/89/70/416278970.db2.gz ZSURBHAFHOWNIJ-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)CCN(C)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359734266 416356154 /nfs/dbraw/zinc/35/61/54/416356154.db2.gz ZBIXDWPTGQOQKI-UHFFFAOYSA-N 1 3 323.441 0.725 20 0 DCADHO Cc1c(C(=O)NC[C@@H](C)N(C)C2CC2)nnn1C1CC[NH2+]CC1 ZINC000237509378 416328237 /nfs/dbraw/zinc/32/82/37/416328237.db2.gz TVUJZEAIOGAJCI-LLVKDONJSA-N 1 3 320.441 0.724 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000359906454 416365288 /nfs/dbraw/zinc/36/52/88/416365288.db2.gz VMDNPFKUKBHLLQ-UKRRQHHQSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000359906454 416365290 /nfs/dbraw/zinc/36/52/90/416365290.db2.gz VMDNPFKUKBHLLQ-UKRRQHHQSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NCCCN2CCCO[C@H](C)C2)CC[NH2+]1 ZINC000418122235 416385419 /nfs/dbraw/zinc/38/54/19/416385419.db2.gz XXEZABBDVNRKBX-RBSFLKMASA-N 1 3 312.458 0.927 20 0 DCADHO C[C@@H]1CN(CC2CCN(C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000418307568 416386139 /nfs/dbraw/zinc/38/61/39/416386139.db2.gz DMKQHENHJSXWOY-OKILXGFUSA-N 1 3 312.458 0.866 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000418450313 416387112 /nfs/dbraw/zinc/38/71/12/416387112.db2.gz LMXRQUHVLKKVTG-QXULXFAOSA-N 1 3 324.469 0.661 20 0 DCADHO CN(C)c1ncc(C[NH2+]CCN2CCN(C)C(C)(C)C2)n1C ZINC000419729152 416407189 /nfs/dbraw/zinc/40/71/89/416407189.db2.gz NWMUMKVBFORTAS-UHFFFAOYSA-N 1 3 308.474 0.602 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419773019 416410370 /nfs/dbraw/zinc/41/03/70/416410370.db2.gz IGYITSDSMKGZQI-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000420796372 416419964 /nfs/dbraw/zinc/41/99/64/416419964.db2.gz FTVMMZCGUDPMCQ-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000420796372 416419966 /nfs/dbraw/zinc/41/99/66/416419966.db2.gz FTVMMZCGUDPMCQ-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422627189 416442958 /nfs/dbraw/zinc/44/29/58/416442958.db2.gz NESXKPUXTRSTJY-YMAMQOFZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@H+](C)CCO)CC2)CCCN1C ZINC000361561797 416448565 /nfs/dbraw/zinc/44/85/65/416448565.db2.gz GMZAUYNKXHOOKD-UKRRQHHQSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@@H+](C)CCO)CC2)CCCN1C ZINC000361561797 416448570 /nfs/dbraw/zinc/44/85/70/416448570.db2.gz GMZAUYNKXHOOKD-UKRRQHHQSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@H](CN1CC[C@@](C)(C(N)=O)C1)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361561502 416448759 /nfs/dbraw/zinc/44/87/59/416448759.db2.gz FQNAYXXAPTUWJR-DVSIDAKKSA-N 1 3 310.442 0.017 20 0 DCADHO C[C@H](CN1CC[C@@](C)(C(N)=O)C1)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361561502 416448763 /nfs/dbraw/zinc/44/87/63/416448763.db2.gz FQNAYXXAPTUWJR-DVSIDAKKSA-N 1 3 310.442 0.017 20 0 DCADHO C[C@@H](CN1CC[C@](C)(C(N)=O)C1)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361561502 416448768 /nfs/dbraw/zinc/44/87/68/416448768.db2.gz FQNAYXXAPTUWJR-DVSIDAKKSA-N 1 3 310.442 0.017 20 0 DCADHO C[C@@H](CN1CC[C@](C)(C(N)=O)C1)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361561502 416448775 /nfs/dbraw/zinc/44/87/75/416448775.db2.gz FQNAYXXAPTUWJR-DVSIDAKKSA-N 1 3 310.442 0.017 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[N@H+](C)C1CC1 ZINC000458292827 416450637 /nfs/dbraw/zinc/45/06/37/416450637.db2.gz OHBQHSUARCCZMM-HIFRSBDPSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[N@@H+](C)C1CC1 ZINC000458292827 416450642 /nfs/dbraw/zinc/45/06/42/416450642.db2.gz OHBQHSUARCCZMM-HIFRSBDPSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000422977274 416455412 /nfs/dbraw/zinc/45/54/12/416455412.db2.gz WOODTORWTWZAOY-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423640686 416533064 /nfs/dbraw/zinc/53/30/64/416533064.db2.gz HANFDSLALMUNGL-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)[C@@H]1CN ZINC000423717955 416547119 /nfs/dbraw/zinc/54/71/19/416547119.db2.gz BLABSJWWSLUBCM-CPUCHLNUSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@@H]1CN ZINC000423717955 416547121 /nfs/dbraw/zinc/54/71/21/416547121.db2.gz BLABSJWWSLUBCM-CPUCHLNUSA-N 1 3 322.453 0.126 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000534110779 416493645 /nfs/dbraw/zinc/49/36/45/416493645.db2.gz QAEVLUYFIAUCFU-LSDHHAIUSA-N 1 3 312.458 0.689 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000434699271 416493921 /nfs/dbraw/zinc/49/39/21/416493921.db2.gz JITFXBSXUGMBAB-RBSFLKMASA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000423403969 416505099 /nfs/dbraw/zinc/50/50/99/416505099.db2.gz XMAXPQAGYODZKM-MGPQQGTHSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000423403969 416505104 /nfs/dbraw/zinc/50/51/04/416505104.db2.gz XMAXPQAGYODZKM-MGPQQGTHSA-N 1 3 310.442 0.078 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423437523 416512126 /nfs/dbraw/zinc/51/21/26/416512126.db2.gz UHBAQVWWBULAQI-XHSDSOJGSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)N(C)C ZINC000459041552 416519353 /nfs/dbraw/zinc/51/93/53/416519353.db2.gz OARDQZFKJVOFOH-KBPBESRZSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000423769921 416563534 /nfs/dbraw/zinc/56/35/34/416563534.db2.gz CQPVLKCNYLYION-SLBVQIDZSA-N 1 3 303.406 0.346 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000364700000 416592239 /nfs/dbraw/zinc/59/22/39/416592239.db2.gz UDYSKCVBIGKLJR-IMJJTQAJSA-N 1 3 322.453 0.799 20 0 DCADHO C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1=CC[N@@H+](C)CC1 ZINC000364700000 416592242 /nfs/dbraw/zinc/59/22/42/416592242.db2.gz UDYSKCVBIGKLJR-IMJJTQAJSA-N 1 3 322.453 0.799 20 0 DCADHO CCC[NH+]1CCC(NC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000438704797 416601680 /nfs/dbraw/zinc/60/16/80/416601680.db2.gz DOLSUXYZIANFAH-UHFFFAOYSA-N 1 3 322.457 1.441 20 0 DCADHO CN(CCN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1)Cc1ccccc1 ZINC000424158994 416619573 /nfs/dbraw/zinc/61/95/73/416619573.db2.gz RUSOEZUUAPLUQP-SJORKVTESA-N 1 3 316.449 0.610 20 0 DCADHO NC1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CCOCC1 ZINC000424194269 416624833 /nfs/dbraw/zinc/62/48/33/416624833.db2.gz LFYIZMIEEJGAFD-UONOGXRCSA-N 1 3 307.369 0.587 20 0 DCADHO O=C(CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000543180007 416638015 /nfs/dbraw/zinc/63/80/15/416638015.db2.gz CZPVOLOZAXPEPO-VBNZEHGJSA-N 1 3 307.438 0.432 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000424457528 416648712 /nfs/dbraw/zinc/64/87/12/416648712.db2.gz RMFWLBWHYHPYAF-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000514784310 416675571 /nfs/dbraw/zinc/67/55/71/416675571.db2.gz ALWIBSLCDMFBNX-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614847377 416712140 /nfs/dbraw/zinc/71/21/40/416712140.db2.gz KTGIKCFNWPISAX-JKSUJKDBSA-N 1 3 305.422 0.547 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614847377 416712144 /nfs/dbraw/zinc/71/21/44/416712144.db2.gz KTGIKCFNWPISAX-JKSUJKDBSA-N 1 3 305.422 0.547 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000614846100 416712552 /nfs/dbraw/zinc/71/25/52/416712552.db2.gz DZDQIGLZQJDIQY-ZIAGYGMSSA-N 1 3 315.483 0.243 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000614846099 416713500 /nfs/dbraw/zinc/71/35/00/416713500.db2.gz DZDQIGLZQJDIQY-UONOGXRCSA-N 1 3 315.483 0.243 20 0 DCADHO CCCN1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000557200030 416728071 /nfs/dbraw/zinc/72/80/71/416728071.db2.gz RBVMNNCKDAIMDX-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443063910 416729596 /nfs/dbraw/zinc/72/95/96/416729596.db2.gz XJDOXTOVXYSINT-RDBSUJKOSA-N 1 3 310.442 0.160 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000557318930 416730801 /nfs/dbraw/zinc/73/08/01/416730801.db2.gz DXINBVFKVUFXFN-ZDUSSCGKSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000426785681 416786214 /nfs/dbraw/zinc/78/62/14/416786214.db2.gz QUNHCCRAMAHELK-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000426785681 416786218 /nfs/dbraw/zinc/78/62/18/416786218.db2.gz QUNHCCRAMAHELK-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C)N(C)CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917818 416799198 /nfs/dbraw/zinc/79/91/98/416799198.db2.gz OYAUGJXTDNFLNR-GFCCVEGCSA-N 1 3 306.476 0.235 20 0 DCADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)C1CC[NH+](C2CC2)CC1 ZINC000517564485 416810409 /nfs/dbraw/zinc/81/04/09/416810409.db2.gz GQCFCDMNCKCTOK-UHFFFAOYSA-N 1 3 319.413 0.027 20 0 DCADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369930274 416849146 /nfs/dbraw/zinc/84/91/46/416849146.db2.gz MBZLGEHZILQUTL-GJZGRUSLSA-N 1 3 324.469 0.881 20 0 DCADHO Nc1nc(NC[C@H](c2ccco2)N2CCCCC2)nc(N)[nH+]1 ZINC000623797179 416897539 /nfs/dbraw/zinc/89/75/39/416897539.db2.gz DXLOKJZJNYUWHW-SNVBAGLBSA-N 1 3 303.370 0.351 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000446602397 416936354 /nfs/dbraw/zinc/93/63/54/416936354.db2.gz ASVHOQZRZZFFKT-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000446602397 416936357 /nfs/dbraw/zinc/93/63/57/416936357.db2.gz ASVHOQZRZZFFKT-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000446602397 416936362 /nfs/dbraw/zinc/93/63/62/416936362.db2.gz ASVHOQZRZZFFKT-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000446602397 416936366 /nfs/dbraw/zinc/93/63/66/416936366.db2.gz ASVHOQZRZZFFKT-UHFFFAOYSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637002695 416948037 /nfs/dbraw/zinc/94/80/37/416948037.db2.gz USGZGQSYDNTJKB-GJZGRUSLSA-N 1 3 311.474 0.454 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC[NH2+]C1CC1)N1CCCCC1 ZINC000642088024 417025850 /nfs/dbraw/zinc/02/58/50/417025850.db2.gz GDJWZQZDSOIELD-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO COCCN(C)CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376329165 417028617 /nfs/dbraw/zinc/02/86/17/417028617.db2.gz YVOGHRAPAZYWSA-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO C[N@@H+]1CC[C@H](NCC(=O)N2CCNCC2)C[C@@H]1c1ccccc1 ZINC000565416137 416976807 /nfs/dbraw/zinc/97/68/07/416976807.db2.gz XSJNMNLTMAFGRQ-DLBZAZTESA-N 1 3 316.449 0.843 20 0 DCADHO C[N@H+]1CC[C@H](NCC(=O)N2CCNCC2)C[C@@H]1c1ccccc1 ZINC000565416137 416976815 /nfs/dbraw/zinc/97/68/15/416976815.db2.gz XSJNMNLTMAFGRQ-DLBZAZTESA-N 1 3 316.449 0.843 20 0 DCADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000521050118 416988238 /nfs/dbraw/zinc/98/82/38/416988238.db2.gz ALAPARSOJDAIRM-UHFFFAOYSA-N 1 3 305.426 0.454 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000565538212 416990088 /nfs/dbraw/zinc/99/00/88/416990088.db2.gz QBQVPRUKYFXJTA-HZPDHXFCSA-N 1 3 311.470 0.975 20 0 DCADHO CCN(CCN)C(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641824040 417009097 /nfs/dbraw/zinc/00/90/97/417009097.db2.gz DMTYLLKVOUMUEJ-UHFFFAOYSA-N 1 3 312.458 0.518 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431028568 417099290 /nfs/dbraw/zinc/09/92/90/417099290.db2.gz SAZRIPAKFDRGJG-OAHLLOKOSA-N 1 3 319.453 0.565 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000431024794 417099991 /nfs/dbraw/zinc/09/99/91/417099991.db2.gz WOHSFMHFIUZPCL-NVXWUHKLSA-N 1 3 318.465 0.871 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[C@@H]1[NH3+] ZINC000642785985 417101988 /nfs/dbraw/zinc/10/19/88/417101988.db2.gz WBRLSEDFXGXADF-ILXRZTDVSA-N 1 3 322.453 0.173 20 0 DCADHO CN1CC[C@]2(CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)C1 ZINC000632361745 417042042 /nfs/dbraw/zinc/04/20/42/417042042.db2.gz KKRDLGNIRHXCCA-HNNXBMFYSA-N 1 3 315.483 0.830 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000642439296 417051438 /nfs/dbraw/zinc/05/14/38/417051438.db2.gz AQQQCHZCPJDQRF-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000642439298 417052223 /nfs/dbraw/zinc/05/22/23/417052223.db2.gz AQQQCHZCPJDQRF-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000642439343 417052268 /nfs/dbraw/zinc/05/22/68/417052268.db2.gz BUNMBNKLEJWNKQ-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642431199 417052664 /nfs/dbraw/zinc/05/26/64/417052664.db2.gz TWPMLJZJUPXWLR-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000642439958 417054702 /nfs/dbraw/zinc/05/47/02/417054702.db2.gz UAGKTQFCFSKTEV-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@@H](O)C1 ZINC000637263982 417056093 /nfs/dbraw/zinc/05/60/93/417056093.db2.gz IQZVPQIABYKJPK-MELADBBJSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@@H](O)C1 ZINC000637263982 417056096 /nfs/dbraw/zinc/05/60/96/417056096.db2.gz IQZVPQIABYKJPK-MELADBBJSA-N 1 3 300.447 0.329 20 0 DCADHO COCC[C@@]1(C(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]C1 ZINC000430688033 417060963 /nfs/dbraw/zinc/06/09/63/417060963.db2.gz UHZVSLVWAWPLRX-GJZGRUSLSA-N 1 3 315.483 0.556 20 0 DCADHO C[C@@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000616488250 417063380 /nfs/dbraw/zinc/06/33/80/417063380.db2.gz AGQHCJYFIBPTHD-WMLDXEAASA-N 1 3 305.422 0.690 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000430713345 417063585 /nfs/dbraw/zinc/06/35/85/417063585.db2.gz KEYGSWJVOIQQTR-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C(=O)CCn1ccnc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637468 417063573 /nfs/dbraw/zinc/06/35/73/417063573.db2.gz RSOAQGDYRKANOG-MRXNPFEDSA-N 1 3 319.453 0.900 20 0 DCADHO Cc1cc(NC(=O)C[C@H]2CNCCO2)n(C2CC[NH+](C)CC2)n1 ZINC000430822423 417070494 /nfs/dbraw/zinc/07/04/94/417070494.db2.gz QGZJSTSHRWSQOZ-AWEZNQCLSA-N 1 3 321.425 0.775 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000642698680 417073841 /nfs/dbraw/zinc/07/38/41/417073841.db2.gz DHHHBUNGPBXVND-MELADBBJSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)C1CC[NH+](C)CC1 ZINC000642724471 417080518 /nfs/dbraw/zinc/08/05/18/417080518.db2.gz QHWYDGYKKHPKGQ-WFASDCNBSA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCN1 ZINC000642718478 417081446 /nfs/dbraw/zinc/08/14/46/417081446.db2.gz CUQIDBBBEXXDOX-CFVMTHIKSA-N 1 3 322.453 0.042 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CCN1 ZINC000642718478 417081451 /nfs/dbraw/zinc/08/14/51/417081451.db2.gz CUQIDBBBEXXDOX-CFVMTHIKSA-N 1 3 322.453 0.042 20 0 DCADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000430932111 417084542 /nfs/dbraw/zinc/08/45/42/417084542.db2.gz FOPUKQIUCAFOCV-CYBMUJFWSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642733340 417084549 /nfs/dbraw/zinc/08/45/49/417084549.db2.gz FIROVZKMBFHLLL-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000642755922 417088860 /nfs/dbraw/zinc/08/88/60/417088860.db2.gz ZUWZATKSUPJHCO-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO [NH3+]C[C@H]1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430964538 417091164 /nfs/dbraw/zinc/09/11/64/417091164.db2.gz ZJOAHDXJGOXDDU-OAHLLOKOSA-N 1 3 317.437 0.401 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000642773293 417094135 /nfs/dbraw/zinc/09/41/35/417094135.db2.gz LAPGEPYKEKYJCM-GBJTYRQASA-N 1 3 322.453 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000642773296 417094756 /nfs/dbraw/zinc/09/47/56/417094756.db2.gz LAPGEPYKEKYJCM-LJISPDSOSA-N 1 3 322.453 0.173 20 0 DCADHO NCCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642891598 417110097 /nfs/dbraw/zinc/11/00/97/417110097.db2.gz LTUDMRCGABETCI-UHFFFAOYSA-N 1 3 310.442 0.176 20 0 DCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642909132 417119585 /nfs/dbraw/zinc/11/95/85/417119585.db2.gz HDGXWPCLQGNKRN-ZDUSSCGKSA-N 1 3 320.437 0.560 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000642950356 417129659 /nfs/dbraw/zinc/12/96/59/417129659.db2.gz GZTOUHQKQMLFBS-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642981208 417134302 /nfs/dbraw/zinc/13/43/02/417134302.db2.gz WNQFXAMVWQLMCZ-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)CCNC(=O)[C@@H]1C(C)[C@H]1C(=O)NCC[N@H+](C)CC ZINC000449857044 417183352 /nfs/dbraw/zinc/18/33/52/417183352.db2.gz QCJOCRVYMWVEBS-ZIAGYGMSSA-N 1 3 312.458 0.004 20 0 DCADHO CCN(C)CCNC(=O)[C@@H]1C(C)[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000449857044 417183358 /nfs/dbraw/zinc/18/33/58/417183358.db2.gz QCJOCRVYMWVEBS-ZIAGYGMSSA-N 1 3 312.458 0.004 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000643373869 417185678 /nfs/dbraw/zinc/18/56/78/417185678.db2.gz XRSBBOMEZNDNTM-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)CC1 ZINC000411769052 417200516 /nfs/dbraw/zinc/20/05/16/417200516.db2.gz HNIQMVJFORRWIL-INIZCTEOSA-N 1 3 311.470 0.974 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000637839315 417203565 /nfs/dbraw/zinc/20/35/65/417203565.db2.gz IXGIRJKYZSGWDD-HNNXBMFYSA-N 1 3 304.438 0.833 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637840730 417203963 /nfs/dbraw/zinc/20/39/63/417203963.db2.gz HVWRYBBOPGPPHW-DOTOQJQBSA-N 1 3 304.438 0.689 20 0 DCADHO CNS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000643454620 417212608 /nfs/dbraw/zinc/21/26/08/417212608.db2.gz SFXGRTWAUSHCKG-GJZGRUSLSA-N 1 3 311.451 0.953 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000527131114 417217153 /nfs/dbraw/zinc/21/71/53/417217153.db2.gz FJTCCJXNOXFGEJ-RRFJBIMHSA-N 1 3 312.458 0.689 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000643498727 417227661 /nfs/dbraw/zinc/22/76/61/417227661.db2.gz JOQHNKSLQKWAAI-LSDHHAIUSA-N 1 3 322.453 0.271 20 0 DCADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000627226734 417288779 /nfs/dbraw/zinc/28/87/79/417288779.db2.gz QVLJQDWMQALCLB-UONOGXRCSA-N 1 3 321.429 0.178 20 0 DCADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000627226734 417288788 /nfs/dbraw/zinc/28/87/88/417288788.db2.gz QVLJQDWMQALCLB-UONOGXRCSA-N 1 3 321.429 0.178 20 0 DCADHO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414668629 417292178 /nfs/dbraw/zinc/29/21/78/417292178.db2.gz YUZLQHQHIHOXRN-UHFFFAOYSA-N 1 3 318.421 0.727 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000433159645 417234242 /nfs/dbraw/zinc/23/42/42/417234242.db2.gz SHSGQLDQNRDZNM-INIZCTEOSA-N 1 3 308.470 0.886 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000643552778 417242503 /nfs/dbraw/zinc/24/25/03/417242503.db2.gz GVBJDCKFQGARNZ-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643558704 417244994 /nfs/dbraw/zinc/24/49/94/417244994.db2.gz SPLHTFCDVVJZTO-WMLDXEAASA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC[C@@H]1[NH3+] ZINC000643558423 417245942 /nfs/dbraw/zinc/24/59/42/417245942.db2.gz JRAVYGGZOHMGRG-KFWWJZLASA-N 1 3 324.469 0.513 20 0 DCADHO C[C@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CCN(C2CC2)C1 ZINC000627148931 417247808 /nfs/dbraw/zinc/24/78/08/417247808.db2.gz PETQSMWVCIOAJQ-CYBMUJFWSA-N 1 3 310.442 0.620 20 0 DCADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O ZINC000527568316 417263819 /nfs/dbraw/zinc/26/38/19/417263819.db2.gz IQPJBGCVHHVDKC-JNWWKETESA-N 1 3 307.442 0.978 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000638141518 417353769 /nfs/dbraw/zinc/35/37/69/417353769.db2.gz KVUUPPNCPCXZAD-KRWDZBQOSA-N 1 3 318.465 0.998 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC1CC[NH+](C)CC1 ZINC000638050671 417298740 /nfs/dbraw/zinc/29/87/40/417298740.db2.gz QWEQNBJNJKKJQD-INIZCTEOSA-N 1 3 304.438 0.656 20 0 DCADHO C[C@H]1CN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@@H]1[NH3+] ZINC000632961920 417301323 /nfs/dbraw/zinc/30/13/23/417301323.db2.gz WQOPGSWYOSZSIM-FZMZJTMJSA-N 1 3 306.414 0.961 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCC[C@@H]3CCC[NH2+]C3)C[C@H]2N)cn1 ZINC000570508823 417362665 /nfs/dbraw/zinc/36/26/65/417362665.db2.gz MQYVHRVLNRKVQN-AEGPPILISA-N 1 3 320.441 0.246 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000414869613 417309324 /nfs/dbraw/zinc/30/93/24/417309324.db2.gz BLRISNIQRHEMRB-LBPRGKRZSA-N 1 3 318.421 0.943 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C1=CCN(C)CC1 ZINC000621843719 417320038 /nfs/dbraw/zinc/32/00/38/417320038.db2.gz KLYJZFCZNYYRAZ-DXCKQFNASA-N 1 3 320.437 0.093 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000570177420 417321045 /nfs/dbraw/zinc/32/10/45/417321045.db2.gz ALBOONPHBOEWIX-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)C2)CC1 ZINC000570166200 417321213 /nfs/dbraw/zinc/32/12/13/417321213.db2.gz KWXZADJCFFQHAX-INMHGKMJSA-N 1 3 306.454 0.365 20 0 DCADHO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415119000 417331927 /nfs/dbraw/zinc/33/19/27/417331927.db2.gz DZZATDCZMONKBR-UHFFFAOYSA-N 1 3 318.421 0.775 20 0 DCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000633040656 417333371 /nfs/dbraw/zinc/33/33/71/417333371.db2.gz YVZHBIAWXNSPAT-DGCLKSJQSA-N 1 3 304.394 0.635 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000638129227 417344398 /nfs/dbraw/zinc/34/43/98/417344398.db2.gz XEBKBNQRWDATBA-SYAUCNOPSA-N 1 3 303.406 0.882 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000451753634 417392260 /nfs/dbraw/zinc/39/22/60/417392260.db2.gz ARBUQOANXVTBKQ-CDGCEXEKSA-N 1 3 312.458 0.001 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000638257955 417394612 /nfs/dbraw/zinc/39/46/12/417394612.db2.gz DNZKIFVZFNXQOC-CHWSQXEVSA-N 1 3 314.380 0.544 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)C2)CC1 ZINC000571083039 417422447 /nfs/dbraw/zinc/42/24/47/417422447.db2.gz ZGMUUUIANBQEAX-DOTOQJQBSA-N 1 3 308.470 0.613 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638221792 417379245 /nfs/dbraw/zinc/37/92/45/417379245.db2.gz ZCYVFDDDRDWCON-NVXWUHKLSA-N 1 3 304.438 0.643 20 0 DCADHO C[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C(=O)NCCN(C)C ZINC000574926929 417492734 /nfs/dbraw/zinc/49/27/34/417492734.db2.gz RRYOVFZOSXXBGU-ZDUSSCGKSA-N 1 3 321.425 0.090 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000638358145 417433341 /nfs/dbraw/zinc/43/33/41/417433341.db2.gz SQDKLNLXJDKSNH-MRXNPFEDSA-N 1 3 316.449 0.800 20 0 DCADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC2(CNC2)C1 ZINC000638436551 417458895 /nfs/dbraw/zinc/45/88/95/417458895.db2.gz BLUMPBMWFZUXHA-MRXNPFEDSA-N 1 3 315.417 0.709 20 0 DCADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC2(CNC2)C1 ZINC000638436551 417458902 /nfs/dbraw/zinc/45/89/02/417458902.db2.gz BLUMPBMWFZUXHA-MRXNPFEDSA-N 1 3 315.417 0.709 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccn(C)n1 ZINC000575337802 417530495 /nfs/dbraw/zinc/53/04/95/417530495.db2.gz ULSUYCSBGAZQRA-CYBMUJFWSA-N 1 3 310.446 0.616 20 0 DCADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@H]1COCCN1 ZINC000530224418 417553206 /nfs/dbraw/zinc/55/32/06/417553206.db2.gz MLOODRMGZGQXRE-YSVLISHTSA-N 1 3 303.406 0.820 20 0 DCADHO O=C(C[C@H]1CNCCO1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000575920586 417561436 /nfs/dbraw/zinc/56/14/36/417561436.db2.gz CQNPTENMKMTMLA-NSHDSACASA-N 1 3 310.423 0.927 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638983467 417597479 /nfs/dbraw/zinc/59/74/79/417597479.db2.gz AMMNJJIKHADEIX-BBRMVZONSA-N 1 3 301.394 0.429 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638987691 417600592 /nfs/dbraw/zinc/60/05/92/417600592.db2.gz WLGVDNVAJMTZHW-AWEZNQCLSA-N 1 3 319.409 0.198 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000639020435 417606514 /nfs/dbraw/zinc/60/65/14/417606514.db2.gz FRDXBKMCAGDFAF-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCC2(N3CCOCC3)CC2)CC1 ZINC000639105569 417619706 /nfs/dbraw/zinc/61/97/06/417619706.db2.gz JMOIIKWJCVOBBI-UHFFFAOYSA-N 1 3 311.470 0.676 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000576639530 417624770 /nfs/dbraw/zinc/62/47/70/417624770.db2.gz CILLBIWVILXBDF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000644602827 417628807 /nfs/dbraw/zinc/62/88/07/417628807.db2.gz PWQNUEPCHYDCDS-CGTJXYLNSA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000644602827 417628812 /nfs/dbraw/zinc/62/88/12/417628812.db2.gz PWQNUEPCHYDCDS-CGTJXYLNSA-N 1 3 321.465 0.788 20 0 DCADHO CN(C)CCN(C)CCC[N@H+](C)CC(C)(C)N1CCOCC1 ZINC000639185242 417636470 /nfs/dbraw/zinc/63/64/70/417636470.db2.gz KPQGZQCWPMEVLY-UHFFFAOYSA-N 1 3 314.518 0.913 20 0 DCADHO CN(C)CCN(C)CCC[N@@H+](C)CC(C)(C)N1CCOCC1 ZINC000639185242 417636471 /nfs/dbraw/zinc/63/64/71/417636471.db2.gz KPQGZQCWPMEVLY-UHFFFAOYSA-N 1 3 314.518 0.913 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCO1 ZINC000576822424 417640474 /nfs/dbraw/zinc/64/04/74/417640474.db2.gz UAEFETZJNGEZLM-HOTGVXAUSA-N 1 3 318.421 0.480 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1=O ZINC000628746317 417685275 /nfs/dbraw/zinc/68/52/75/417685275.db2.gz BFCOFCGEIAHUHN-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1=O ZINC000628746317 417685279 /nfs/dbraw/zinc/68/52/79/417685279.db2.gz BFCOFCGEIAHUHN-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCC(=O)N(C)C2)CC1 ZINC000576898960 417646166 /nfs/dbraw/zinc/64/61/66/417646166.db2.gz UVTSVFBYIRKDFB-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCC(=O)N(C)C2)CC1 ZINC000576898960 417646170 /nfs/dbraw/zinc/64/61/70/417646170.db2.gz UVTSVFBYIRKDFB-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CO[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000639261392 417646746 /nfs/dbraw/zinc/64/67/46/417646746.db2.gz NNFIGFGSSOUUOG-INIZCTEOSA-N 1 3 311.470 0.798 20 0 DCADHO CO[C@@H](C[NH+]1CCC(N2CC[C@H](O)C2)CC1)C1CCOCC1 ZINC000639331516 417659500 /nfs/dbraw/zinc/65/95/00/417659500.db2.gz UHHLPUOBCPDXNE-IRXDYDNUSA-N 1 3 312.454 0.959 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C)C1 ZINC000635506377 417681285 /nfs/dbraw/zinc/68/12/85/417681285.db2.gz BSBMCNSGWGFHLK-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C)C1 ZINC000635506377 417681286 /nfs/dbraw/zinc/68/12/86/417681286.db2.gz BSBMCNSGWGFHLK-CQSZACIVSA-N 1 3 301.431 0.182 20 0 DCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000635749632 417754360 /nfs/dbraw/zinc/75/43/60/417754360.db2.gz MMDDRWGQUXELAX-CVEARBPZSA-N 1 3 322.497 0.813 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)CN1CCN(C)CC1 ZINC000635562087 417704122 /nfs/dbraw/zinc/70/41/22/417704122.db2.gz VWRLFFZBNKWCHQ-INIZCTEOSA-N 1 3 322.497 0.862 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000580467777 417705512 /nfs/dbraw/zinc/70/55/12/417705512.db2.gz QCXFUBNEKWQTTG-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000458163418 417728504 /nfs/dbraw/zinc/72/85/04/417728504.db2.gz JETNRWBFTOVYQZ-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000458163418 417728510 /nfs/dbraw/zinc/72/85/10/417728510.db2.gz JETNRWBFTOVYQZ-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000645953534 417831443 /nfs/dbraw/zinc/83/14/43/417831443.db2.gz YZQFRWSZSCXWCG-OLZOCXBDSA-N 1 3 303.410 0.701 20 0 DCADHO COCCNCCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000640340700 417833483 /nfs/dbraw/zinc/83/34/83/417833483.db2.gz NOQRYZLXUJUIQJ-HUUCEWRRSA-N 1 3 312.458 0.644 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000646012203 417847147 /nfs/dbraw/zinc/84/71/47/417847147.db2.gz IIUBDJGDCCMREC-ZDUSSCGKSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000646460467 417851857 /nfs/dbraw/zinc/85/18/57/417851857.db2.gz HXSYJWNGUQCMLW-OAGGEKHMSA-N 1 3 322.497 0.954 20 0 DCADHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652158730 417853498 /nfs/dbraw/zinc/85/34/98/417853498.db2.gz IVUJERXAUCEPEJ-HOCLYGCPSA-N 1 3 312.458 0.725 20 0 DCADHO COc1cc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)ccc1OCCN(C)C ZINC000662690382 417854206 /nfs/dbraw/zinc/85/42/06/417854206.db2.gz CAAMJRWBEQYZCQ-HDJSIYSDSA-N 1 3 321.421 0.989 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)CC1=O ZINC000636089138 417867103 /nfs/dbraw/zinc/86/71/03/417867103.db2.gz JXHBMMAXJDTLGV-MCIONIFRSA-N 1 3 324.469 0.241 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cn1 ZINC000636110083 417873897 /nfs/dbraw/zinc/87/38/97/417873897.db2.gz HOQGBXRDSLRLNX-ZIAGYGMSSA-N 1 3 307.442 0.903 20 0 DCADHO [NH3+]CCOCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000646111974 417874878 /nfs/dbraw/zinc/87/48/78/417874878.db2.gz CMOUCWPPCNUKRR-UHFFFAOYSA-N 1 3 321.421 0.235 20 0 DCADHO CC[C@@H](C)[C@H](N)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000662744924 417881338 /nfs/dbraw/zinc/88/13/38/417881338.db2.gz AILAZFIPBNFBBC-DOMZBBRYSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000631464141 417884663 /nfs/dbraw/zinc/88/46/63/417884663.db2.gz FGXCWKVVGJGRGY-UKRRQHHQSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CCN(C)C)c1 ZINC000631464141 417884668 /nfs/dbraw/zinc/88/46/68/417884668.db2.gz FGXCWKVVGJGRGY-UKRRQHHQSA-N 1 3 307.442 0.857 20 0 DCADHO OCCN(CCN1CCOCC1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652338885 417886466 /nfs/dbraw/zinc/88/64/66/417886466.db2.gz KGNLCKLPVBMXGK-UHFFFAOYSA-N 1 3 319.449 0.459 20 0 DCADHO CNS(=O)(=O)CCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348472 417888049 /nfs/dbraw/zinc/88/80/49/417888049.db2.gz FIRXFLFHVXCFOJ-MJBXVCDLSA-N 1 3 319.471 0.144 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCN1 ZINC000662769600 417896978 /nfs/dbraw/zinc/89/69/78/417896978.db2.gz HHKZNGSFECISLK-ZIAGYGMSSA-N 1 3 320.441 0.663 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662846748 417923087 /nfs/dbraw/zinc/92/30/87/417923087.db2.gz UMVWJRFCIPAYPA-OCCSQVGLSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662846748 417923092 /nfs/dbraw/zinc/92/30/92/417923092.db2.gz UMVWJRFCIPAYPA-OCCSQVGLSA-N 1 3 312.458 0.323 20 0 DCADHO O=C(C[NH2+]CC1CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858900 417926724 /nfs/dbraw/zinc/92/67/24/417926724.db2.gz JRJKEWIGLBBXDR-KRWDZBQOSA-N 1 3 317.433 0.869 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000652612265 417931304 /nfs/dbraw/zinc/93/13/04/417931304.db2.gz NRQALQBTGXZKPH-GXTWGEPZSA-N 1 3 306.414 0.660 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652675253 417941027 /nfs/dbraw/zinc/94/10/27/417941027.db2.gz RKKRYEPTMLFZJH-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000652696579 417947528 /nfs/dbraw/zinc/94/75/28/417947528.db2.gz NBUVTWCNISUCFF-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000652701484 417949804 /nfs/dbraw/zinc/94/98/04/417949804.db2.gz CCSYEVGMWLIKQW-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CN1C[C@H]2CCN(C(=O)c3ccnc(OCC[NH+](C)C)c3)[C@H]2C1 ZINC000646923512 417954466 /nfs/dbraw/zinc/95/44/66/417954466.db2.gz XJBJYAQIAUUKCZ-CABCVRRESA-N 1 3 318.421 0.798 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732853 417959983 /nfs/dbraw/zinc/95/99/83/417959983.db2.gz UOXYRTKOXBLWKN-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000658403755 417960798 /nfs/dbraw/zinc/96/07/98/417960798.db2.gz KNKKLMPLCFFCHD-UHFFFAOYSA-N 1 3 309.435 0.779 20 0 DCADHO CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H](CN)C(F)(F)F ZINC000662985482 417972410 /nfs/dbraw/zinc/97/24/10/417972410.db2.gz VPPJEAVGIMCNBO-GMSGAONNSA-N 1 3 305.304 0.448 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCN1CCC(O)CC1 ZINC000647522998 418018310 /nfs/dbraw/zinc/01/83/10/418018310.db2.gz AWRIZDRAVAUGGC-GOSISDBHSA-N 1 3 321.465 0.526 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCN1CCC(O)CC1 ZINC000647522998 418018315 /nfs/dbraw/zinc/01/83/15/418018315.db2.gz AWRIZDRAVAUGGC-GOSISDBHSA-N 1 3 321.465 0.526 20 0 DCADHO CN(Cc1ccccc1)C[C@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000647517363 418018527 /nfs/dbraw/zinc/01/85/27/418018527.db2.gz HKBMYYCNKNFWAG-QZTJIDSGSA-N 1 3 321.465 0.526 20 0 DCADHO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCOC2(CNC2)C1 ZINC000663491645 418026073 /nfs/dbraw/zinc/02/60/73/418026073.db2.gz LIGVUDWFOPRWKU-UHFFFAOYSA-N 1 3 301.390 0.189 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000663500238 418027795 /nfs/dbraw/zinc/02/77/95/418027795.db2.gz JDMVYEHQJGABQT-HUUCEWRRSA-N 1 3 322.453 0.128 20 0 DCADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000663500238 418027799 /nfs/dbraw/zinc/02/77/99/418027799.db2.gz JDMVYEHQJGABQT-HUUCEWRRSA-N 1 3 322.453 0.128 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113675 418029254 /nfs/dbraw/zinc/02/92/54/418029254.db2.gz LEDARZITSIWLQK-UXLLHSPISA-N 1 3 309.454 0.993 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)C1 ZINC000653125368 418033495 /nfs/dbraw/zinc/03/34/95/418033495.db2.gz WVNYNUUNDXJYEH-ULQDDVLXSA-N 1 3 320.481 0.755 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)CN1CCN(C)CC1 ZINC000653125396 418033963 /nfs/dbraw/zinc/03/39/63/418033963.db2.gz XZCBZFWLJLVMKX-VNQPRFMTSA-N 1 3 308.470 0.517 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000663627216 418039348 /nfs/dbraw/zinc/03/93/48/418039348.db2.gz FUFQIFPUVQRYHE-AJNGGQMLSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000663627216 418039351 /nfs/dbraw/zinc/03/93/51/418039351.db2.gz FUFQIFPUVQRYHE-AJNGGQMLSA-N 1 3 312.458 0.423 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000653176511 418042595 /nfs/dbraw/zinc/04/25/95/418042595.db2.gz XASIXNKUVLDWOH-AWEZNQCLSA-N 1 3 300.447 0.180 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000653176511 418042599 /nfs/dbraw/zinc/04/25/99/418042599.db2.gz XASIXNKUVLDWOH-AWEZNQCLSA-N 1 3 300.447 0.180 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NCC1C[NH2+]C1 ZINC000659526789 418111925 /nfs/dbraw/zinc/11/19/25/418111925.db2.gz FSWPIEHCDPJPSQ-MRXNPFEDSA-N 1 3 318.421 0.272 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659551316 418116409 /nfs/dbraw/zinc/11/64/09/418116409.db2.gz AIJDBHRQLLTUEP-VHDGCEQUSA-N 1 3 310.442 0.666 20 0 DCADHO [NH3+]CC[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(F)F ZINC000659552319 418117123 /nfs/dbraw/zinc/11/71/23/418117123.db2.gz XZHSZWPPCHTUFX-VXGBXAGGSA-N 1 3 320.384 0.521 20 0 DCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663794039 418057436 /nfs/dbraw/zinc/05/74/36/418057436.db2.gz VHTQSADCGMOYEM-KBXIAJHMSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663794039 418057439 /nfs/dbraw/zinc/05/74/39/418057439.db2.gz VHTQSADCGMOYEM-KBXIAJHMSA-N 1 3 312.458 0.423 20 0 DCADHO CCN(CCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000663920046 418067223 /nfs/dbraw/zinc/06/72/23/418067223.db2.gz LAINHGGBTSYKMD-MRXNPFEDSA-N 1 3 324.469 0.711 20 0 DCADHO CCN(CCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000663920046 418067226 /nfs/dbraw/zinc/06/72/26/418067226.db2.gz LAINHGGBTSYKMD-MRXNPFEDSA-N 1 3 324.469 0.711 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000664066262 418082197 /nfs/dbraw/zinc/08/21/97/418082197.db2.gz SSMDRPZRHGEBIG-ZIAGYGMSSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)CCN1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659430492 418096558 /nfs/dbraw/zinc/09/65/58/418096558.db2.gz AMJRHCDODLDCSZ-UHFFFAOYSA-N 1 3 311.474 0.583 20 0 DCADHO C[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@H]1C[NH3+] ZINC000659607607 418124651 /nfs/dbraw/zinc/12/46/51/418124651.db2.gz CEMATJIGUFERSX-YCPHGPKFSA-N 1 3 324.469 0.866 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659609117 418125552 /nfs/dbraw/zinc/12/55/52/418125552.db2.gz SSNGUWGKJYUHMT-VNHYZAJKSA-N 1 3 308.426 0.101 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659608785 418125630 /nfs/dbraw/zinc/12/56/30/418125630.db2.gz QIGZILZMERFVKT-UGWHAMFMSA-N 1 3 308.426 0.372 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C)CN1 ZINC000659608085 418125993 /nfs/dbraw/zinc/12/59/93/418125993.db2.gz KFOLRLFOHPZBKK-NFAWXSAZSA-N 1 3 310.442 0.632 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000659618241 418128807 /nfs/dbraw/zinc/12/88/07/418128807.db2.gz DZLKDXQFDWVMDU-UONOGXRCSA-N 1 3 300.447 0.506 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000659618577 418128893 /nfs/dbraw/zinc/12/88/93/418128893.db2.gz IXTBOXPNQVOBHF-ZIAGYGMSSA-N 1 3 300.447 0.506 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000654731772 418180718 /nfs/dbraw/zinc/18/07/18/418180718.db2.gz MHZDJWXKFIQWGB-DZKIICNBSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000654731772 418180721 /nfs/dbraw/zinc/18/07/21/418180721.db2.gz MHZDJWXKFIQWGB-DZKIICNBSA-N 1 3 310.442 0.369 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC[N@@H+]1C ZINC000648761830 418151823 /nfs/dbraw/zinc/15/18/23/418151823.db2.gz URQQBOWTAFNVFA-YUELXQCFSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC[N@H+]1C ZINC000648761830 418151824 /nfs/dbraw/zinc/15/18/24/418151824.db2.gz URQQBOWTAFNVFA-YUELXQCFSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N1CC2CC1(CN)C2)[NH+]1CCCCC1 ZINC000659706224 418154930 /nfs/dbraw/zinc/15/49/30/418154930.db2.gz HRBNSXQTHNBNFD-CBCUQQMYSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000659705588 418155512 /nfs/dbraw/zinc/15/55/12/418155512.db2.gz ZGSCJDUNBFCHKE-UONOGXRCSA-N 1 3 310.442 0.077 20 0 DCADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1)C1CC1 ZINC000659714033 418158035 /nfs/dbraw/zinc/15/80/35/418158035.db2.gz IFEYTXSQAIWCAG-DZGCQCFKSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000659713142 418158237 /nfs/dbraw/zinc/15/82/37/418158237.db2.gz BWXZOBRVBHVDJZ-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000659718854 418160212 /nfs/dbraw/zinc/16/02/12/418160212.db2.gz SRHLZZKYZMMIGN-HZSPNIEDSA-N 1 3 310.442 0.221 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659723235 418163508 /nfs/dbraw/zinc/16/35/08/418163508.db2.gz IOQXQGZBSDKLPD-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659724095 418163994 /nfs/dbraw/zinc/16/39/94/418163994.db2.gz TXPAGBHWPRCEOU-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NCC2([NH3+])CCCC2)CCC1 ZINC000659734685 418168316 /nfs/dbraw/zinc/16/83/16/418168316.db2.gz OLENMWMRWWKSFJ-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000659739241 418171840 /nfs/dbraw/zinc/17/18/40/418171840.db2.gz OMFSVUWVKJBDGO-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000659739712 418171960 /nfs/dbraw/zinc/17/19/60/418171960.db2.gz YKJMVGTTXMCYJL-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCN(C)C1 ZINC000649000561 418184541 /nfs/dbraw/zinc/18/45/41/418184541.db2.gz XRHAVGILOHVRKL-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CCn1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)n1 ZINC000654781071 418187619 /nfs/dbraw/zinc/18/76/19/418187619.db2.gz CDIIHXTYIKDQJR-UHFFFAOYSA-N 1 3 307.442 0.859 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000660372927 418254203 /nfs/dbraw/zinc/25/42/03/418254203.db2.gz ZEDPLHVDKOWDJH-GJZGRUSLSA-N 1 3 301.475 0.465 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000660372927 418254204 /nfs/dbraw/zinc/25/42/04/418254204.db2.gz ZEDPLHVDKOWDJH-GJZGRUSLSA-N 1 3 301.475 0.465 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000660704423 418283860 /nfs/dbraw/zinc/28/38/60/418283860.db2.gz NTOUMCZKWNWVFJ-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000660704423 418283862 /nfs/dbraw/zinc/28/38/62/418283862.db2.gz NTOUMCZKWNWVFJ-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO CN(CC1CN(C)C1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000660714225 418284584 /nfs/dbraw/zinc/28/45/84/418284584.db2.gz YUHXGQXHJGXJEX-HNNXBMFYSA-N 1 3 323.485 0.358 20 0 DCADHO CN(CC1CN(C)C1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000660714225 418284586 /nfs/dbraw/zinc/28/45/86/418284586.db2.gz YUHXGQXHJGXJEX-HNNXBMFYSA-N 1 3 323.485 0.358 20 0 DCADHO CN1CCC(O)(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655716622 418289121 /nfs/dbraw/zinc/28/91/21/418289121.db2.gz ZSNLBAZWHUQWFP-INIZCTEOSA-N 1 3 311.470 0.676 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000655911288 418298660 /nfs/dbraw/zinc/29/86/60/418298660.db2.gz CDQFGQWOTQDVKG-NSHDSACASA-N 1 3 317.315 0.803 20 0 DCADHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660859637 418298745 /nfs/dbraw/zinc/29/87/45/418298745.db2.gz OVUBHAOTNYVQGT-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO CC[NH+](CC)CC[C@H](CO)NC(=O)N[C@H](CN)C(F)(F)F ZINC000655928497 418303648 /nfs/dbraw/zinc/30/36/48/418303648.db2.gz NDAZILGHOCLUKB-NXEZZACHSA-N 1 3 314.352 0.268 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000655954909 418306292 /nfs/dbraw/zinc/30/62/92/418306292.db2.gz QYMTYHCJYNZUSE-XBXGTLAGSA-N 1 3 304.394 0.540 20 0 DCADHO Cc1nn(C)c(N2CCOCC2)c1CNCCC1(C[NH3+])CC1 ZINC000650712615 418321308 /nfs/dbraw/zinc/32/13/08/418321308.db2.gz MAJJWFQGJUYNHL-UHFFFAOYSA-N 1 3 307.442 0.784 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000660435289 418259539 /nfs/dbraw/zinc/25/95/39/418259539.db2.gz DZYXCNZJQTUDCQ-RDJZCZTQSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000660435289 418259542 /nfs/dbraw/zinc/25/95/42/418259542.db2.gz DZYXCNZJQTUDCQ-RDJZCZTQSA-N 1 3 313.486 0.873 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655416249 418260496 /nfs/dbraw/zinc/26/04/96/418260496.db2.gz MUUYVKKXRMPQAV-WMLDXEAASA-N 1 3 315.421 0.819 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655450002 418263182 /nfs/dbraw/zinc/26/31/82/418263182.db2.gz ZBKUVWRUYUFMIK-NUJGCVRESA-N 1 3 322.497 0.766 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467863 418266156 /nfs/dbraw/zinc/26/61/56/418266156.db2.gz OAYWPIUHRYNNNE-YQQAZPJKSA-N 1 3 309.454 0.945 20 0 DCADHO NC[C@@H](NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)C(F)(F)F ZINC000655515181 418271542 /nfs/dbraw/zinc/27/15/42/418271542.db2.gz IRIQAZZWPCKTFJ-YPMHNXCESA-N 1 3 301.312 0.924 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660663677 418279529 /nfs/dbraw/zinc/27/95/29/418279529.db2.gz OYOFQZRZHOLVDJ-ARFHVFGLSA-N 1 3 300.443 0.817 20 0 DCADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660663677 418279532 /nfs/dbraw/zinc/27/95/32/418279532.db2.gz OYOFQZRZHOLVDJ-ARFHVFGLSA-N 1 3 300.443 0.817 20 0 DCADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(N)=O ZINC000656198214 418335240 /nfs/dbraw/zinc/33/52/40/418335240.db2.gz WVZATYQNUTYMKW-OLZOCXBDSA-N 1 3 307.394 0.919 20 0 DCADHO CC(C(=O)N1CCC[C@@H]([NH3+])[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000656362702 418351288 /nfs/dbraw/zinc/35/12/88/418351288.db2.gz ZUKJFIXOPZJREX-NQBHXWOUSA-N 1 3 318.439 0.307 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2C[C@]3(C)COC[C@]3(C)C2)C1=O ZINC000656478761 418357331 /nfs/dbraw/zinc/35/73/31/418357331.db2.gz QIAXGCAKERORDT-RRQGHBQHSA-N 1 3 323.437 0.424 20 0 DCADHO CO[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)C(F)(F)F ZINC000651263762 418358526 /nfs/dbraw/zinc/35/85/26/418358526.db2.gz HIQCPYOBIAWMJJ-LLVKDONJSA-N 1 3 313.364 0.906 20 0 DCADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000662260929 418394565 /nfs/dbraw/zinc/39/45/65/418394565.db2.gz RPCLATJUJXGBME-AWEZNQCLSA-N 1 3 317.437 0.925 20 0 DCADHO O=C(NCCNc1ccncc1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662394197 418406707 /nfs/dbraw/zinc/40/67/07/418406707.db2.gz COVQISYPNFIOBS-NSHDSACASA-N 1 3 300.366 0.145 20 0 DCADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000662480684 418412166 /nfs/dbraw/zinc/41/21/66/418412166.db2.gz VADMIVFTEWCROU-CVEARBPZSA-N 1 3 312.502 0.997 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000662305944 418399787 /nfs/dbraw/zinc/39/97/87/418399787.db2.gz LKWMCOJNXZEZLT-NXOAAHMSSA-N 1 3 317.433 0.518 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000662305944 418399791 /nfs/dbraw/zinc/39/97/91/418399791.db2.gz LKWMCOJNXZEZLT-NXOAAHMSSA-N 1 3 317.433 0.518 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000662305944 418399793 /nfs/dbraw/zinc/39/97/93/418399793.db2.gz LKWMCOJNXZEZLT-NXOAAHMSSA-N 1 3 317.433 0.518 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662389681 418406015 /nfs/dbraw/zinc/40/60/15/418406015.db2.gz ZADZGQUJWOGHCK-ZDUSSCGKSA-N 1 3 320.441 0.664 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000354550529 261235708 /nfs/dbraw/zinc/23/57/08/261235708.db2.gz JXRWBVBYJBIFSW-SNPRPXQTSA-N 1 3 312.458 0.614 20 0 DCADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000363389926 262113765 /nfs/dbraw/zinc/11/37/65/262113765.db2.gz OLVCGBYUJPHOLM-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000363389926 262113767 /nfs/dbraw/zinc/11/37/67/262113767.db2.gz OLVCGBYUJPHOLM-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+](CCCNC(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000417015568 262243467 /nfs/dbraw/zinc/24/34/67/262243467.db2.gz MSLXAZZCQCPHMY-HNNXBMFYSA-N 1 3 312.458 0.929 20 0 DCADHO C[N@@H+](CCCNC(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000417015568 262243468 /nfs/dbraw/zinc/24/34/68/262243468.db2.gz MSLXAZZCQCPHMY-HNNXBMFYSA-N 1 3 312.458 0.929 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417443111 262252133 /nfs/dbraw/zinc/25/21/33/262252133.db2.gz XGXCELQPIQXBGU-JKSUJKDBSA-N 1 3 320.437 0.619 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000417845149 262263809 /nfs/dbraw/zinc/26/38/09/262263809.db2.gz XGSFTQXEKXZWMQ-HUUCEWRRSA-N 1 3 304.438 0.732 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)NCCCN2CC[NH2+]CC2)CN1C1CC1 ZINC000417856565 262264145 /nfs/dbraw/zinc/26/41/45/262264145.db2.gz MRZBPXDOKIXFMD-UONOGXRCSA-N 1 3 309.458 0.206 20 0 DCADHO COCCNCCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000417893650 262264693 /nfs/dbraw/zinc/26/46/93/262264693.db2.gz SGQTVAXUOOAABB-AWEZNQCLSA-N 1 3 300.447 0.500 20 0 DCADHO COCCNCCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000417893650 262264695 /nfs/dbraw/zinc/26/46/95/262264695.db2.gz SGQTVAXUOOAABB-AWEZNQCLSA-N 1 3 300.447 0.500 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NCC2([NH3+])CCC2)ccn1 ZINC000417942061 262266083 /nfs/dbraw/zinc/26/60/83/262266083.db2.gz BGXLFFGLUFURJF-UHFFFAOYSA-N 1 3 321.425 0.703 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NC[C@@H]2CCC[NH2+]2)ccn1 ZINC000417955938 262266315 /nfs/dbraw/zinc/26/63/15/262266315.db2.gz SJCFHVKNUAYAOX-AWEZNQCLSA-N 1 3 321.425 0.573 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418069669 262269074 /nfs/dbraw/zinc/26/90/74/262269074.db2.gz QASHYHRVRRTNBR-OAHLLOKOSA-N 1 3 312.458 0.596 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418069500 262269280 /nfs/dbraw/zinc/26/92/80/262269280.db2.gz PLTOPGXUVPLOCE-CQSZACIVSA-N 1 3 300.447 0.771 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000418193582 262271922 /nfs/dbraw/zinc/27/19/22/262271922.db2.gz BZUFJWWUFAQABM-GFCCVEGCSA-N 1 3 302.488 0.969 20 0 DCADHO C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CCN(C2CC2)C1 ZINC000418291061 262273769 /nfs/dbraw/zinc/27/37/69/262273769.db2.gz URIUTFIGDITKIT-OAHLLOKOSA-N 1 3 323.485 0.407 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000418428820 262278071 /nfs/dbraw/zinc/27/80/71/262278071.db2.gz QZYHYJIAPPLFSU-LSDHHAIUSA-N 1 3 313.490 0.685 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418516379 262280149 /nfs/dbraw/zinc/28/01/49/262280149.db2.gz RYCWJMBBAMBCEY-PBHICJAKSA-N 1 3 320.437 0.612 20 0 DCADHO [NH3+]C[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1CCCC1 ZINC000418607218 262283757 /nfs/dbraw/zinc/28/37/57/262283757.db2.gz AMPPPPOGLUAXTL-LSDHHAIUSA-N 1 3 312.458 0.650 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000418598666 262284006 /nfs/dbraw/zinc/28/40/06/262284006.db2.gz IZOHILWTTZOAFW-RBSFLKMASA-N 1 3 312.458 0.879 20 0 DCADHO CN(CCCN(C)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccco1 ZINC000418769113 262287965 /nfs/dbraw/zinc/28/79/65/262287965.db2.gz POWNIPPBJNPHED-OAHLLOKOSA-N 1 3 324.425 0.731 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419016904 262305247 /nfs/dbraw/zinc/30/52/47/262305247.db2.gz AHGCZVOCVKZMJU-RDBSUJKOSA-N 1 3 310.442 0.091 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419018152 262305674 /nfs/dbraw/zinc/30/56/74/262305674.db2.gz BROAVAJPEQOFRN-ZIAGYGMSSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419076388 262306465 /nfs/dbraw/zinc/30/64/65/262306465.db2.gz HMSKUTXKVOETIZ-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419073781 262306694 /nfs/dbraw/zinc/30/66/94/262306694.db2.gz CQEDXTVXWITUCC-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419083256 262307670 /nfs/dbraw/zinc/30/76/70/262307670.db2.gz VZZVPVCCSOLDHP-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419083310 262308029 /nfs/dbraw/zinc/30/80/29/262308029.db2.gz WEFDVGPBEBCXFV-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419125247 262311137 /nfs/dbraw/zinc/31/11/37/262311137.db2.gz STHIRJXWSPVYHX-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419159807 262314616 /nfs/dbraw/zinc/31/46/16/262314616.db2.gz OPFFSONDUVKFLP-KGLIPLIRSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC[NH3+] ZINC000419159901 262314879 /nfs/dbraw/zinc/31/48/79/262314879.db2.gz GSKJDBZJNWECQQ-OAHLLOKOSA-N 1 3 320.437 0.334 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419170519 262316754 /nfs/dbraw/zinc/31/67/54/262316754.db2.gz NQKYRTZADVOYQT-CABCVRRESA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419220661 262320342 /nfs/dbraw/zinc/32/03/42/262320342.db2.gz BSGJZKBDOVSLEU-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000419419303 262332315 /nfs/dbraw/zinc/33/23/15/262332315.db2.gz JBPBPBNKTAFJKP-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419427222 262333138 /nfs/dbraw/zinc/33/31/38/262333138.db2.gz RLEYNAJDSYRYJP-RBSFLKMASA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419480381 262333741 /nfs/dbraw/zinc/33/37/41/262333741.db2.gz NEJFOLNDGJJAPH-IHRRRGAJSA-N 1 3 312.458 0.324 20 0 DCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419483078 262333954 /nfs/dbraw/zinc/33/39/54/262333954.db2.gz RHMHTPCQQYQFIF-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419483078 262333956 /nfs/dbraw/zinc/33/39/56/262333956.db2.gz RHMHTPCQQYQFIF-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000419502402 262336051 /nfs/dbraw/zinc/33/60/51/262336051.db2.gz CYPAGQCQOABZFZ-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419502205 262336403 /nfs/dbraw/zinc/33/64/03/262336403.db2.gz CINFTASEZPMGIM-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419595395 262339459 /nfs/dbraw/zinc/33/94/59/262339459.db2.gz WNLXRTVKDVFEDE-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419595394 262339674 /nfs/dbraw/zinc/33/96/74/262339674.db2.gz WNLXRTVKDVFEDE-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000419837146 262348217 /nfs/dbraw/zinc/34/82/17/262348217.db2.gz WGTHGXTVENERSR-ILXRZTDVSA-N 1 3 322.453 0.363 20 0 DCADHO NC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000419837146 262348219 /nfs/dbraw/zinc/34/82/19/262348219.db2.gz WGTHGXTVENERSR-ILXRZTDVSA-N 1 3 322.453 0.363 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419851806 262349472 /nfs/dbraw/zinc/34/94/72/262349472.db2.gz JQOHZOPQTRCRPU-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419924226 262353016 /nfs/dbraw/zinc/35/30/16/262353016.db2.gz CCCYEIYYZYKNRT-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000419967631 262354707 /nfs/dbraw/zinc/35/47/07/262354707.db2.gz BLPDDKLYWINMIZ-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420061893 262358387 /nfs/dbraw/zinc/35/83/87/262358387.db2.gz BJZXZORIFTUZGA-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000420134813 262361986 /nfs/dbraw/zinc/36/19/86/262361986.db2.gz GEWHUIOXGZDIGH-KGLIPLIRSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCC(=O)NC1CCN(C2CC2)CC1 ZINC000420357409 262370331 /nfs/dbraw/zinc/37/03/31/262370331.db2.gz DJHBNRABLPJJAA-IGCXYCKISA-N 1 3 308.470 0.706 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000355445267 271008600 /nfs/dbraw/zinc/00/86/00/271008600.db2.gz INZUPWUFPPYPPG-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000355445268 271009091 /nfs/dbraw/zinc/00/90/91/271009091.db2.gz INZUPWUFPPYPPG-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO NC(=O)c1cccnc1N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359217234 271104462 /nfs/dbraw/zinc/10/44/62/271104462.db2.gz JXQHXIFCTQJNQU-UHFFFAOYSA-N 1 3 317.437 0.692 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418327198 271242992 /nfs/dbraw/zinc/24/29/92/271242992.db2.gz YZMNHVCRIIFVFE-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418401484 271244200 /nfs/dbraw/zinc/24/42/00/271244200.db2.gz GQWWIYIUNOLPRY-RRFJBIMHSA-N 1 3 312.458 0.506 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418717800 271250645 /nfs/dbraw/zinc/25/06/45/271250645.db2.gz ZWSWPSPFZJDFHK-UONOGXRCSA-N 1 3 300.447 0.650 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419027687 271265725 /nfs/dbraw/zinc/26/57/25/271265725.db2.gz PEDSZKDBUUGEGW-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419026810 271265955 /nfs/dbraw/zinc/26/59/55/271265955.db2.gz NWMSJMGWVRRULQ-AAVRWANBSA-N 1 3 312.458 0.180 20 0 DCADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419027685 271266454 /nfs/dbraw/zinc/26/64/54/271266454.db2.gz PEDSZKDBUUGEGW-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419029246 271268427 /nfs/dbraw/zinc/26/84/27/271268427.db2.gz RJJYJWMCVJOCPN-DYEKYZERSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000419033222 271269869 /nfs/dbraw/zinc/26/98/69/271269869.db2.gz YGFOZZDQFFJXOA-GFCCVEGCSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419032853 271270074 /nfs/dbraw/zinc/27/00/74/271270074.db2.gz XKTDTQQLPYLFQU-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN)C(C)(C)C ZINC000419140424 271274123 /nfs/dbraw/zinc/27/41/23/271274123.db2.gz VZSJRQGLJXMCHV-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419141008 271276144 /nfs/dbraw/zinc/27/61/44/271276144.db2.gz AGOWMFJUNAIOBC-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C1CC1 ZINC000419522721 271297923 /nfs/dbraw/zinc/29/79/23/271297923.db2.gz NHOSHIMXRKLUOU-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419576314 271309885 /nfs/dbraw/zinc/30/98/85/271309885.db2.gz CABZKVRVTYZGFZ-OAHLLOKOSA-N 1 3 322.453 0.403 20 0 DCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419576259 271309896 /nfs/dbraw/zinc/30/98/96/271309896.db2.gz BQPRMUKGEQODSU-JSGCOSHPSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)N(C)C1CC1 ZINC000419578460 271310286 /nfs/dbraw/zinc/31/02/86/271310286.db2.gz DVHFPJHXXGCHCS-BLLLJJGKSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419584421 271311826 /nfs/dbraw/zinc/31/18/26/271311826.db2.gz KUSVKQPBSOAUOX-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419667443 271319173 /nfs/dbraw/zinc/31/91/73/271319173.db2.gz AKRKTXFHBUWHBR-CABCVRRESA-N 1 3 324.469 0.467 20 0 DCADHO CC(C)[NH+](CCCNC(=O)C(=O)N(C)[C@H](C)CN)C(C)C ZINC000419670544 271320591 /nfs/dbraw/zinc/32/05/91/271320591.db2.gz WXRLBGGRSAFQPI-CYBMUJFWSA-N 1 3 300.447 0.417 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000419810432 271326258 /nfs/dbraw/zinc/32/62/58/271326258.db2.gz FPHOPSFBTBKBRY-RDBSUJKOSA-N 1 3 310.442 0.363 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000419810432 271326260 /nfs/dbraw/zinc/32/62/60/271326260.db2.gz FPHOPSFBTBKBRY-RDBSUJKOSA-N 1 3 310.442 0.363 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419809317 271326675 /nfs/dbraw/zinc/32/66/75/271326675.db2.gz WGWLZRPBMHFTNG-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000419816454 271328299 /nfs/dbraw/zinc/32/82/99/271328299.db2.gz IFKVPPFEKBXFIU-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419858808 271333948 /nfs/dbraw/zinc/33/39/48/271333948.db2.gz XRULBDSGCFBLRN-CQSZACIVSA-N 1 3 310.442 0.186 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419939601 271346532 /nfs/dbraw/zinc/34/65/32/271346532.db2.gz YPUZDSCJXHFDAB-OAHLLOKOSA-N 1 3 320.437 0.651 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419950454 271348832 /nfs/dbraw/zinc/34/88/32/271348832.db2.gz MKIXXDZCHZLRGN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000420175229 271363387 /nfs/dbraw/zinc/36/33/87/271363387.db2.gz UWJODZJOXVJPIU-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)S(C)(=O)=O ZINC000424046607 271395461 /nfs/dbraw/zinc/39/54/61/271395461.db2.gz SGICNQMOTRSUON-HQODWTRASA-N 1 3 314.451 0.689 20 0 DCADHO [NH3+]C[C@H](C(=O)N[C@H]1CNCCC1(F)F)c1ccc(F)cc1 ZINC000449668085 271857629 /nfs/dbraw/zinc/85/76/29/271857629.db2.gz SHXSHRFJTKUGCB-RYUDHWBXSA-N 1 3 301.312 0.981 20 0 DCADHO CN(C)CCNC(=O)C1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492085784 272115321 /nfs/dbraw/zinc/11/53/21/272115321.db2.gz DOBVQGVYQJZISZ-WAYWQWQTSA-N 1 3 310.442 0.021 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000495135750 272239608 /nfs/dbraw/zinc/23/96/08/272239608.db2.gz HHQCUPJZOVBQRH-GDBMZVCRSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000495135750 272239609 /nfs/dbraw/zinc/23/96/09/272239609.db2.gz HHQCUPJZOVBQRH-GDBMZVCRSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CCN(C2CCC2)C1 ZINC000517719952 272471856 /nfs/dbraw/zinc/47/18/56/272471856.db2.gz LGGFMJUFSCKSGC-HNNXBMFYSA-N 1 3 323.485 0.407 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000519649694 287677073 /nfs/dbraw/zinc/67/70/73/287677073.db2.gz YWMRPENLJIWCKC-ZVXAKGHKSA-N 1 3 317.380 0.632 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000339581081 276098586 /nfs/dbraw/zinc/09/85/86/276098586.db2.gz WACGGRGEDOWGBP-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1)C1CC1 ZINC000340258583 279190998 /nfs/dbraw/zinc/19/09/98/279190998.db2.gz IAXPHMQRUZVKAD-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1)C1CC1 ZINC000340258583 279191000 /nfs/dbraw/zinc/19/10/00/279191000.db2.gz IAXPHMQRUZVKAD-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000333160339 288118658 /nfs/dbraw/zinc/11/86/58/288118658.db2.gz GJWPUOSSEQUWQE-BMFZPTHFSA-N 1 3 321.469 0.158 20 0 DCADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000340274440 288157333 /nfs/dbraw/zinc/15/73/33/288157333.db2.gz CCIOJYZWQZXPPR-SRABZTEZSA-N 1 3 312.454 0.957 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(F)CC[NH2+]C2)C[C@@H](C)O1 ZINC000364260294 288159714 /nfs/dbraw/zinc/15/97/14/288159714.db2.gz VFAHXIPFRYGVEC-NFAWXSAZSA-N 1 3 301.406 0.694 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000549944323 288208636 /nfs/dbraw/zinc/20/86/36/288208636.db2.gz CPUTXNACXSSKET-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000410472559 289103880 /nfs/dbraw/zinc/10/38/80/289103880.db2.gz ROIFLCATXSRODW-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1)C1CC1 ZINC000343286304 289107397 /nfs/dbraw/zinc/10/73/97/289107397.db2.gz MAJSRMJHVURQKJ-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CCO1 ZINC000262707486 289201101 /nfs/dbraw/zinc/20/11/01/289201101.db2.gz DOPKSFHZMCNFGE-UONOGXRCSA-N 1 3 321.425 0.210 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332684459 295244129 /nfs/dbraw/zinc/24/41/29/295244129.db2.gz PNSUJCRJOSYTOD-GJZGRUSLSA-N 1 3 322.453 0.413 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001650182535 1173503603 /nfs/dbraw/zinc/50/36/03/1173503603.db2.gz LPFHSNFHNCGRNE-KBPBESRZSA-N 1 3 312.458 0.737 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)Nc2ccc3c(c2)CNC3)nn1 ZINC000570717752 332805226 /nfs/dbraw/zinc/80/52/26/332805226.db2.gz BPKIDQMXPGGNQC-UHFFFAOYSA-N 1 3 300.366 0.873 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000570928726 332842914 /nfs/dbraw/zinc/84/29/14/332842914.db2.gz WUTKDYHXIQDJDK-HNNXBMFYSA-N 1 3 304.394 0.370 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000580343517 335115971 /nfs/dbraw/zinc/11/59/71/335115971.db2.gz QRPTZOAUCSBMFH-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000580343517 335115972 /nfs/dbraw/zinc/11/59/72/335115972.db2.gz QRPTZOAUCSBMFH-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO O=C([C@H]1CNCc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000582060821 333194433 /nfs/dbraw/zinc/19/44/33/333194433.db2.gz HGPGBQJMPIYJSJ-RDJZCZTQSA-N 1 3 314.433 0.380 20 0 DCADHO CN1CC[NH+](CC2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)CC1 ZINC000571286203 333699072 /nfs/dbraw/zinc/69/90/72/333699072.db2.gz XUWQJZMLOBZWDD-OAHLLOKOSA-N 1 3 310.486 0.846 20 0 DCADHO C[C@@H]1CCN[C@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000582476021 337095924 /nfs/dbraw/zinc/09/59/24/337095924.db2.gz FWKSVVYZTOJIIQ-OCCSQVGLSA-N 1 3 303.410 0.818 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000582758679 337135507 /nfs/dbraw/zinc/13/55/07/337135507.db2.gz DIAKISDONAVCCX-GDBMZVCRSA-N 1 3 312.458 0.330 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000582758679 337135508 /nfs/dbraw/zinc/13/55/08/337135508.db2.gz DIAKISDONAVCCX-GDBMZVCRSA-N 1 3 312.458 0.330 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)/C=C/C[NH+](C)C)C2)CC1 ZINC000366033253 519683193 /nfs/dbraw/zinc/68/31/93/519683193.db2.gz MGJKQDZQMGJVDT-SQRWCISFSA-N 1 3 308.470 0.731 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182886647 521779070 /nfs/dbraw/zinc/77/90/70/521779070.db2.gz IEDGJOXMKTWJKE-UHFFFAOYSA-N 1 3 307.442 0.663 20 0 DCADHO CC[C@]1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000364255673 523535765 /nfs/dbraw/zinc/53/57/65/523535765.db2.gz QRGFEIVPRDBDJD-NVXWUHKLSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000364260296 524942174 /nfs/dbraw/zinc/94/21/74/524942174.db2.gz VFAHXIPFRYGVEC-VNHYZAJKSA-N 1 3 301.406 0.694 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000332009489 529007915 /nfs/dbraw/zinc/00/79/15/529007915.db2.gz PANWAEATUNBWMG-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CCCO)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001664457867 1174434148 /nfs/dbraw/zinc/43/41/48/1174434148.db2.gz VMXCEBYTUZFELV-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000073642700 545665879 /nfs/dbraw/zinc/66/58/79/545665879.db2.gz JHZHJFOKEKTZNL-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO NC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCC1 ZINC000261962177 545977595 /nfs/dbraw/zinc/97/75/95/545977595.db2.gz KZQRAVAECHHNHF-JTQLQIEISA-N 1 3 308.348 0.210 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333655280 546087857 /nfs/dbraw/zinc/08/78/57/546087857.db2.gz KOCMCPYHHIKADG-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CN(C2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)CCO1 ZINC000336867769 546099137 /nfs/dbraw/zinc/09/91/37/546099137.db2.gz UEHJELJNKJWQKZ-WMLDXEAASA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H]1CN(C2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)CCO1 ZINC000336867769 546099142 /nfs/dbraw/zinc/09/91/42/546099142.db2.gz UEHJELJNKJWQKZ-WMLDXEAASA-N 1 3 311.470 0.627 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000342094426 546119187 /nfs/dbraw/zinc/11/91/87/546119187.db2.gz YKFYEUNWULPBHE-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000342983198 546125543 /nfs/dbraw/zinc/12/55/43/546125543.db2.gz AGFORLSJAFHJMQ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO COCC[NH+]1CCC(NC(=O)N2CCNC[C@H]2C(C)C)CC1 ZINC000529299024 546286770 /nfs/dbraw/zinc/28/67/70/546286770.db2.gz LFIZLOCRLJYQQQ-HNNXBMFYSA-N 1 3 312.458 0.737 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529299259 546286928 /nfs/dbraw/zinc/28/69/28/546286928.db2.gz LSWLRLZFWKEZJF-AWEZNQCLSA-N 1 3 310.442 0.681 20 0 DCADHO Nc1nccc([C@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662277070 546373660 /nfs/dbraw/zinc/37/36/60/546373660.db2.gz NLHIWLBVBXGRET-STQMWFEESA-N 1 3 303.410 0.759 20 0 DCADHO CN(C)C(=O)[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000662279427 546374824 /nfs/dbraw/zinc/37/48/24/546374824.db2.gz UQOHIELDSLLFJG-MRXNPFEDSA-N 1 3 302.422 0.194 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000666757645 546504691 /nfs/dbraw/zinc/50/46/91/546504691.db2.gz XKMBRFYOTXQLCI-GDBMZVCRSA-N 1 3 312.458 0.473 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000666922140 546527913 /nfs/dbraw/zinc/52/79/13/546527913.db2.gz KWIMCOPYINNPSS-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000666922140 546527917 /nfs/dbraw/zinc/52/79/17/546527917.db2.gz KWIMCOPYINNPSS-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000668374291 546745255 /nfs/dbraw/zinc/74/52/55/546745255.db2.gz YCIIIOOWFIUQMD-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)NC/C=C/C[NH3+])cc1 ZINC000669132501 546926933 /nfs/dbraw/zinc/92/69/33/546926933.db2.gz PLJHZYYPIKLURY-ONEGZZNKSA-N 1 3 306.410 0.941 20 0 DCADHO C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000669303737 546953123 /nfs/dbraw/zinc/95/31/23/546953123.db2.gz QQLTYJBNUXYZKC-KBXIAJHMSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000669430873 546970832 /nfs/dbraw/zinc/97/08/32/546970832.db2.gz PEANJZVMUDEBQO-CQSZACIVSA-N 1 3 320.441 0.240 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCO1 ZINC000669570907 546992824 /nfs/dbraw/zinc/99/28/24/546992824.db2.gz LIUADDLVPMLHGL-WBVHZDCISA-N 1 3 324.469 0.882 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000669718840 547010561 /nfs/dbraw/zinc/01/05/61/547010561.db2.gz GHNXGOZZNICOKQ-XQLPTFJDSA-N 1 3 315.483 0.921 20 0 DCADHO CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000670545838 547114739 /nfs/dbraw/zinc/11/47/39/547114739.db2.gz WKAUKOIWGLMASX-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000672696119 547394562 /nfs/dbraw/zinc/39/45/62/547394562.db2.gz NOCLJKJKMGEENO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO O=C(NCCN1CCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673632246 547507080 /nfs/dbraw/zinc/50/70/80/547507080.db2.gz UPVKVFAZBMXWDZ-GOSISDBHSA-N 1 3 317.433 0.835 20 0 DCADHO O=C(NCCN1CCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673632246 547507083 /nfs/dbraw/zinc/50/70/83/547507083.db2.gz UPVKVFAZBMXWDZ-GOSISDBHSA-N 1 3 317.433 0.835 20 0 DCADHO CN(C)CCn1cc(NC(=O)NCC2CC[NH+](C)CC2)cn1 ZINC000673865496 547531526 /nfs/dbraw/zinc/53/15/26/547531526.db2.gz MZDVPWDJDMLGQO-UHFFFAOYSA-N 1 3 308.430 0.908 20 0 DCADHO C[NH+](C)CCOCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000682614283 548410186 /nfs/dbraw/zinc/41/01/86/548410186.db2.gz QEHLEVPJFHCJMQ-UHFFFAOYSA-N 1 3 321.425 0.491 20 0 DCADHO FC1(F)CCNC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000925777890 660990860 /nfs/dbraw/zinc/99/08/60/660990860.db2.gz HWJFBGOOTYQRSH-SYQHCUMBSA-N 1 3 303.397 0.978 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981815814 661223704 /nfs/dbraw/zinc/22/37/04/661223704.db2.gz BTSAKMKLSUMWMB-AWEZNQCLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981815814 661223707 /nfs/dbraw/zinc/22/37/07/661223707.db2.gz BTSAKMKLSUMWMB-AWEZNQCLSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CC[C@H]([NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000998269241 665426848 /nfs/dbraw/zinc/42/68/48/665426848.db2.gz KIPNBVWJHSWFJM-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO O=C(CN1CCCC1)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000998269898 665427202 /nfs/dbraw/zinc/42/72/02/665427202.db2.gz QEXKPCQYJVHHGK-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000891577412 657494450 /nfs/dbraw/zinc/49/44/50/657494450.db2.gz RUBTWNYEEDQANE-CQSZACIVSA-N 1 3 310.442 0.635 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001023086008 657495757 /nfs/dbraw/zinc/49/57/57/657495757.db2.gz CFAHOXDYUQEGOD-MCIONIFRSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001023086008 657495759 /nfs/dbraw/zinc/49/57/59/657495759.db2.gz CFAHOXDYUQEGOD-MCIONIFRSA-N 1 3 303.410 0.474 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001023130535 657541474 /nfs/dbraw/zinc/54/14/74/657541474.db2.gz TWLUVJNDJYUJIO-GUTXKFCHSA-N 1 3 320.441 0.426 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1)C1CC1 ZINC000971679871 657556697 /nfs/dbraw/zinc/55/66/97/657556697.db2.gz WHHSMVXCLQHATA-CVEARBPZSA-N 1 3 319.453 0.756 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1)C1CC1 ZINC000971679871 657556704 /nfs/dbraw/zinc/55/67/04/657556704.db2.gz WHHSMVXCLQHATA-CVEARBPZSA-N 1 3 319.453 0.756 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)CCn2cncn2)C1)[NH+](C)C ZINC000971727657 657609862 /nfs/dbraw/zinc/60/98/62/657609862.db2.gz ATRZFOZRJSNMBU-GJZGRUSLSA-N 1 3 322.457 0.397 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)C1 ZINC001021380739 657703612 /nfs/dbraw/zinc/70/36/12/657703612.db2.gz SFBXCSCNNLFSCV-HNSVSWJLSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)C1 ZINC001021380739 657703620 /nfs/dbraw/zinc/70/36/20/657703620.db2.gz SFBXCSCNNLFSCV-HNSVSWJLSA-N 1 3 309.454 0.822 20 0 DCADHO Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998722624 665512070 /nfs/dbraw/zinc/51/20/70/665512070.db2.gz OVZIFSNAFGXGBQ-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC000970717180 657825338 /nfs/dbraw/zinc/82/53/38/657825338.db2.gz KIJCMIJTQYCBHV-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC000970785842 657907139 /nfs/dbraw/zinc/90/71/39/657907139.db2.gz HGBBYROKIDLMJF-IUODEOHRSA-N 1 3 318.421 0.426 20 0 DCADHO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022455668 657938000 /nfs/dbraw/zinc/93/80/00/657938000.db2.gz XOYCVESGEFQXBK-WCCAFZKYSA-N 1 3 307.438 0.742 20 0 DCADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000892012711 658104855 /nfs/dbraw/zinc/10/48/55/658104855.db2.gz BMKVKGZYUFBTHF-CQSZACIVSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001020591566 658173558 /nfs/dbraw/zinc/17/35/58/658173558.db2.gz RIHGYFXBZBBIMA-PWNZVWSESA-N 1 3 305.426 0.355 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001020591566 658173560 /nfs/dbraw/zinc/17/35/60/658173560.db2.gz RIHGYFXBZBBIMA-PWNZVWSESA-N 1 3 305.426 0.355 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020593037 658178135 /nfs/dbraw/zinc/17/81/35/658178135.db2.gz VKPVKGRLFKQRJJ-QZKOUSHUSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020593037 658178136 /nfs/dbraw/zinc/17/81/36/658178136.db2.gz VKPVKGRLFKQRJJ-QZKOUSHUSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)ncn1 ZINC001020592776 658178664 /nfs/dbraw/zinc/17/86/64/658178664.db2.gz OGUXLBFOGFTCAW-MEWXFMAXSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)ncn1 ZINC001020592776 658178667 /nfs/dbraw/zinc/17/86/67/658178667.db2.gz OGUXLBFOGFTCAW-MEWXFMAXSA-N 1 3 317.437 0.720 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)C1 ZINC001023750192 658201663 /nfs/dbraw/zinc/20/16/63/658201663.db2.gz HELZGHXIKBYPSC-GJZGRUSLSA-N 1 3 320.441 0.058 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN(CCn3cncn3)C2)C1 ZINC001023750192 658201669 /nfs/dbraw/zinc/20/16/69/658201669.db2.gz HELZGHXIKBYPSC-GJZGRUSLSA-N 1 3 320.441 0.058 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@H]1C[NH2+]CCC1(F)F ZINC000892155395 658232093 /nfs/dbraw/zinc/23/20/93/658232093.db2.gz FCDBHYGBZHSVEQ-KBPBESRZSA-N 1 3 324.375 0.997 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001023888918 658297007 /nfs/dbraw/zinc/29/70/07/658297007.db2.gz FWOGFHZBORHQKK-DZGCQCFKSA-N 1 3 320.441 0.238 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC000969985893 658325727 /nfs/dbraw/zinc/32/57/27/658325727.db2.gz NQRJVQOMEWWPTD-MCIONIFRSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022718967 658381741 /nfs/dbraw/zinc/38/17/41/658381741.db2.gz GOYUHYQXCCBOOE-FOUMNBMASA-N 1 3 323.466 0.781 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022718967 658381750 /nfs/dbraw/zinc/38/17/50/658381750.db2.gz GOYUHYQXCCBOOE-FOUMNBMASA-N 1 3 323.466 0.781 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC000971200547 658400230 /nfs/dbraw/zinc/40/02/30/658400230.db2.gz HQCIXLQSHKECNM-GJZGRUSLSA-N 1 3 305.426 0.510 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC000971200547 658400234 /nfs/dbraw/zinc/40/02/34/658400234.db2.gz HQCIXLQSHKECNM-GJZGRUSLSA-N 1 3 305.426 0.510 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001024016943 658400341 /nfs/dbraw/zinc/40/03/41/658400341.db2.gz RBEPSDALTHPDQW-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000892260917 658425136 /nfs/dbraw/zinc/42/51/36/658425136.db2.gz GMTRWYGMOFAJSS-UHFFFAOYSA-N 1 3 321.469 0.160 20 0 DCADHO CC1(C)CO[C@H](C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000970103364 658465319 /nfs/dbraw/zinc/46/53/19/658465319.db2.gz MSIOHOQDOFQLTD-OCCSQVGLSA-N 1 3 306.410 0.958 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024176934 658506019 /nfs/dbraw/zinc/50/60/19/658506019.db2.gz HWFRJWGSCPBFJN-ZDUSSCGKSA-N 1 3 316.409 0.714 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)C1 ZINC000972336531 658583277 /nfs/dbraw/zinc/58/32/77/658583277.db2.gz YAWFBGSRUSIDFQ-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)C1 ZINC000972336531 658583279 /nfs/dbraw/zinc/58/32/79/658583279.db2.gz YAWFBGSRUSIDFQ-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000924436363 658669259 /nfs/dbraw/zinc/66/92/59/658669259.db2.gz BEWAELVISGGILQ-CABCVRRESA-N 1 3 318.421 0.641 20 0 DCADHO COc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC001021047585 658725426 /nfs/dbraw/zinc/72/54/26/658725426.db2.gz ILOLWVHGXYRWAA-IJLUTSLNSA-N 1 3 324.450 0.840 20 0 DCADHO COc1cc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001021047585 658725429 /nfs/dbraw/zinc/72/54/29/658725429.db2.gz ILOLWVHGXYRWAA-IJLUTSLNSA-N 1 3 324.450 0.840 20 0 DCADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001021049510 658727609 /nfs/dbraw/zinc/72/76/09/658727609.db2.gz OOKNQQTYZJZBHI-XUXIUFHCSA-N 1 3 303.410 0.726 20 0 DCADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001021049510 658727611 /nfs/dbraw/zinc/72/76/11/658727611.db2.gz OOKNQQTYZJZBHI-XUXIUFHCSA-N 1 3 303.410 0.726 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001021049170 658728191 /nfs/dbraw/zinc/72/81/91/658728191.db2.gz JCVZXHYJFXPYFN-KKUMJFAQSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001021049170 658728199 /nfs/dbraw/zinc/72/81/99/658728199.db2.gz JCVZXHYJFXPYFN-KKUMJFAQSA-N 1 3 303.410 0.474 20 0 DCADHO [NH3+]CCCCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000155650640 658791970 /nfs/dbraw/zinc/79/19/70/658791970.db2.gz FXXMELPSZRTBQL-UHFFFAOYSA-N 1 3 310.442 0.272 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022977098 658886668 /nfs/dbraw/zinc/88/66/68/658886668.db2.gz UYLDRKBMQKSXJP-SOUVJXGZSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022977098 658886674 /nfs/dbraw/zinc/88/66/74/658886674.db2.gz UYLDRKBMQKSXJP-SOUVJXGZSA-N 1 3 317.437 0.864 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)CN(C)C ZINC000926469161 658901833 /nfs/dbraw/zinc/90/18/33/658901833.db2.gz FXMACGCWMWAYRN-STQMWFEESA-N 1 3 305.488 0.834 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001027216872 659087941 /nfs/dbraw/zinc/08/79/41/659087941.db2.gz YOSPZNCXFNJVRJ-KBPBESRZSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001027216872 659087944 /nfs/dbraw/zinc/08/79/44/659087944.db2.gz YOSPZNCXFNJVRJ-KBPBESRZSA-N 1 3 305.426 0.310 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)CN1CCN(C)CC1 ZINC000893236650 659129406 /nfs/dbraw/zinc/12/94/06/659129406.db2.gz JAVSCDLLUXNFTK-HRCADAONSA-N 1 3 323.485 0.073 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)CN1CCN(C)CC1 ZINC000893236650 659129407 /nfs/dbraw/zinc/12/94/07/659129407.db2.gz JAVSCDLLUXNFTK-HRCADAONSA-N 1 3 323.485 0.073 20 0 DCADHO O=C(NCC1C[NH+](CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031857536 665661660 /nfs/dbraw/zinc/66/16/60/665661660.db2.gz XWJOCLZGEUQSJA-BFHRDPOASA-N 1 3 319.449 0.698 20 0 DCADHO CCO[C@@H](CNC(=O)N(CC)[C@@H]1CCN(C)C1)C[NH+](C)C ZINC000926846495 659452400 /nfs/dbraw/zinc/45/24/00/659452400.db2.gz IUXPCEAUYVPOAR-KGLIPLIRSA-N 1 3 300.447 0.689 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000892789623 659458686 /nfs/dbraw/zinc/45/86/86/659458686.db2.gz QXQJYVPUEHECPK-XHSDSOJGSA-N 1 3 300.406 0.562 20 0 DCADHO CC[N@H+](CCO)CCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892800278 659462410 /nfs/dbraw/zinc/46/24/10/659462410.db2.gz NOVCHRIJLZMVJX-MRXNPFEDSA-N 1 3 320.437 0.314 20 0 DCADHO CC[N@@H+](CCO)CCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892800278 659462411 /nfs/dbraw/zinc/46/24/11/659462411.db2.gz NOVCHRIJLZMVJX-MRXNPFEDSA-N 1 3 320.437 0.314 20 0 DCADHO COc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)on1 ZINC001026732716 659488424 /nfs/dbraw/zinc/48/84/24/659488424.db2.gz FJELKWXCPNYCBJ-TZMCWYRMSA-N 1 3 322.409 0.716 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000892943622 659540706 /nfs/dbraw/zinc/54/07/06/659540706.db2.gz IZFYLTMMTRRGCB-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000892943622 659540709 /nfs/dbraw/zinc/54/07/09/659540709.db2.gz IZFYLTMMTRRGCB-HUUCEWRRSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892944354 659542117 /nfs/dbraw/zinc/54/21/17/659542117.db2.gz PHUSYDAMDFNUEL-QLFBSQMISA-N 1 3 310.442 0.300 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892944354 659542120 /nfs/dbraw/zinc/54/21/20/659542120.db2.gz PHUSYDAMDFNUEL-QLFBSQMISA-N 1 3 310.442 0.300 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025778867 659555167 /nfs/dbraw/zinc/55/51/67/659555167.db2.gz OKCIECFCTGROCE-NRKLIOEPSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC001025778867 659555170 /nfs/dbraw/zinc/55/51/70/659555170.db2.gz OKCIECFCTGROCE-NRKLIOEPSA-N 1 3 321.465 0.942 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]21 ZINC001025809044 659568476 /nfs/dbraw/zinc/56/84/76/659568476.db2.gz RJEXBMPGCBQAMM-LJIZCISZSA-N 1 3 309.454 0.942 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)COC)C[C@H]21 ZINC001025809044 659568478 /nfs/dbraw/zinc/56/84/78/659568478.db2.gz RJEXBMPGCBQAMM-LJIZCISZSA-N 1 3 309.454 0.942 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCc3cncc(F)c3)C2)C1 ZINC001019772621 659611001 /nfs/dbraw/zinc/61/10/01/659611001.db2.gz MFHSRMOSIXNOHQ-HIFRSBDPSA-N 1 3 306.385 0.863 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCc3cncc(F)c3)C2)C1 ZINC001019772621 659611007 /nfs/dbraw/zinc/61/10/07/659611007.db2.gz MFHSRMOSIXNOHQ-HIFRSBDPSA-N 1 3 306.385 0.863 20 0 DCADHO CN1CCC(O)(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893042958 659702419 /nfs/dbraw/zinc/70/24/19/659702419.db2.gz XKIWPTRPOWXHDI-CHWSQXEVSA-N 1 3 302.390 0.666 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)no2)C1)N(C)C ZINC001027070752 659783749 /nfs/dbraw/zinc/78/37/49/659783749.db2.gz XCNVOEQNKTYSGA-OCCSQVGLSA-N 1 3 324.425 0.962 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001000079801 665736293 /nfs/dbraw/zinc/73/62/93/665736293.db2.gz BMOZCFWKMBRKOA-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO c1ccc2c(c1)OC[C@H](CN1CC[C@H](N3CC[NH2+]CC3)C1)O2 ZINC000319244626 661315670 /nfs/dbraw/zinc/31/56/70/661315670.db2.gz WTKDITALLGGRIT-GJZGRUSLSA-N 1 3 303.406 0.806 20 0 DCADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001028316308 661455735 /nfs/dbraw/zinc/45/57/35/661455735.db2.gz NRYATLMJKURKKR-CVEARBPZSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001028316308 661455737 /nfs/dbraw/zinc/45/57/37/661455737.db2.gz NRYATLMJKURKKR-CVEARBPZSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000192393 665770456 /nfs/dbraw/zinc/77/04/56/665770456.db2.gz MEWMWHKQHVWOIH-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CCN1CCN(c2nccc(N3CC[NH+](CC)CC3)n2)CC1 ZINC000243331604 665819122 /nfs/dbraw/zinc/81/91/22/665819122.db2.gz LPEGMMYBTDVOQU-UHFFFAOYSA-N 1 3 304.442 0.760 20 0 DCADHO COC(=O)[C@@H]1[C@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)C1(F)F ZINC000895332903 662170278 /nfs/dbraw/zinc/17/02/78/662170278.db2.gz QYWHAKFBCZCECU-AGIUHOORSA-N 1 3 318.364 0.884 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@H]2C1 ZINC000895851726 662222866 /nfs/dbraw/zinc/22/28/66/662222866.db2.gz UJYZRDUGTUXXCF-IJEWVQPXSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@H]2C1 ZINC000895851726 662222868 /nfs/dbraw/zinc/22/28/68/662222868.db2.gz UJYZRDUGTUXXCF-IJEWVQPXSA-N 1 3 322.453 0.443 20 0 DCADHO Cc1nocc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000985120146 662369628 /nfs/dbraw/zinc/36/96/28/662369628.db2.gz OUOYMZZKAHXYST-UMVBOHGHSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000985120146 662369631 /nfs/dbraw/zinc/36/96/31/662369631.db2.gz OUOYMZZKAHXYST-UMVBOHGHSA-N 1 3 306.410 0.919 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000985155322 662377413 /nfs/dbraw/zinc/37/74/13/662377413.db2.gz VRBOKXWXBPECBI-AJNGGQMLSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@H]1CCN(C2CC2)C1 ZINC000896990058 662381934 /nfs/dbraw/zinc/38/19/34/662381934.db2.gz YOPLREWXKIHNNF-INIZCTEOSA-N 1 3 307.438 0.792 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCn2cncn2)CC1 ZINC000985332262 662411195 /nfs/dbraw/zinc/41/11/95/662411195.db2.gz KWQNJSJNXCGLFL-HNNXBMFYSA-N 1 3 320.441 0.295 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cncn2)CC1 ZINC000985332262 662411196 /nfs/dbraw/zinc/41/11/96/662411196.db2.gz KWQNJSJNXCGLFL-HNNXBMFYSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987057554 662639343 /nfs/dbraw/zinc/63/93/43/662639343.db2.gz JDXXSTXQDMJZOC-IUODEOHRSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000987189277 662652234 /nfs/dbraw/zinc/65/22/34/662652234.db2.gz DRYKLMBEMUQSLX-IUODEOHRSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987352619 662671328 /nfs/dbraw/zinc/67/13/28/662671328.db2.gz ALEGLTWSZNIGTQ-HIFRSBDPSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987564694 662687871 /nfs/dbraw/zinc/68/78/71/662687871.db2.gz BRWCZJUEXCZCBO-IUODEOHRSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H]1C[C@H](NCc2cncn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989387990 662909110 /nfs/dbraw/zinc/90/91/10/662909110.db2.gz DBIAVDRXYNFBHM-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000989492255 662953752 /nfs/dbraw/zinc/95/37/52/662953752.db2.gz LWKLFMQHKYYQFQ-GXTWGEPZSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681520 662971986 /nfs/dbraw/zinc/97/19/86/662971986.db2.gz CWFIYXIIDVSJAE-UONOGXRCSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CCN1C ZINC000925326118 662987341 /nfs/dbraw/zinc/98/73/41/662987341.db2.gz UWZGXOQYWKGOCX-KFWWJZLASA-N 1 3 312.458 0.831 20 0 DCADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941102748 665923508 /nfs/dbraw/zinc/92/35/08/665923508.db2.gz RLEMBEKAEXBURG-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941102748 665923509 /nfs/dbraw/zinc/92/35/09/665923509.db2.gz RLEMBEKAEXBURG-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001030020124 663079106 /nfs/dbraw/zinc/07/91/06/663079106.db2.gz XRFYNUPBNDTOPN-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001030020898 663086837 /nfs/dbraw/zinc/08/68/37/663086837.db2.gz KHKFPIKYNKJFRU-MELADBBJSA-N 1 3 312.458 0.417 20 0 DCADHO C[NH+](C)CCCNC(=S)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000899664957 663161499 /nfs/dbraw/zinc/16/14/99/663161499.db2.gz VUEAOBYRNDYOBO-KGLIPLIRSA-N 1 3 314.499 0.344 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000899740028 663185956 /nfs/dbraw/zinc/18/59/56/663185956.db2.gz COCGTQIROROUBN-HZPDHXFCSA-N 1 3 305.422 0.720 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000899740028 663185957 /nfs/dbraw/zinc/18/59/57/663185957.db2.gz COCGTQIROROUBN-HZPDHXFCSA-N 1 3 305.422 0.720 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900307551 663234040 /nfs/dbraw/zinc/23/40/40/663234040.db2.gz MBRPQROIABLJFC-CYBMUJFWSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1nccc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000900307551 663234042 /nfs/dbraw/zinc/23/40/42/663234042.db2.gz MBRPQROIABLJFC-CYBMUJFWSA-N 1 3 305.426 0.659 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N(C)C ZINC000901274407 663334657 /nfs/dbraw/zinc/33/46/57/663334657.db2.gz UQHIKSDPPVFSHV-JYJNAYRXSA-N 1 3 310.486 0.811 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000921128 665962373 /nfs/dbraw/zinc/96/23/73/665962373.db2.gz XBJVAZRHOHRECC-GOEBONIOSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000921128 665962374 /nfs/dbraw/zinc/96/23/74/665962374.db2.gz XBJVAZRHOHRECC-GOEBONIOSA-N 1 3 319.453 0.761 20 0 DCADHO CCC[C@@H](C(=O)OCC)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493235 663458224 /nfs/dbraw/zinc/45/82/24/663458224.db2.gz PXRVKWKOOQRFMZ-ZWUHOBOKSA-N 1 3 312.410 0.931 20 0 DCADHO C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)CCO1 ZINC000903507431 663460927 /nfs/dbraw/zinc/46/09/27/663460927.db2.gz ZMOLMGZZTOUKHM-NXHRZFHOSA-N 1 3 322.497 0.608 20 0 DCADHO C[C@@H]1CN(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)CCO1 ZINC000903507431 663460928 /nfs/dbraw/zinc/46/09/28/663460928.db2.gz ZMOLMGZZTOUKHM-NXHRZFHOSA-N 1 3 322.497 0.608 20 0 DCADHO O=C1NCCN1[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903725837 663475330 /nfs/dbraw/zinc/47/53/30/663475330.db2.gz ICYISMCXWHPLHZ-FMKPAKJESA-N 1 3 308.426 0.245 20 0 DCADHO O=C1CCCN1C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728943 663476045 /nfs/dbraw/zinc/47/60/45/663476045.db2.gz HYUSTGBSZYDXRP-DOTOQJQBSA-N 1 3 307.438 0.842 20 0 DCADHO OCC[C@H]1CSCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732034 663476328 /nfs/dbraw/zinc/47/63/28/663476328.db2.gz BZAMQKRSHXQKON-UONOGXRCSA-N 1 3 300.468 0.945 20 0 DCADHO C[C@@H]1CN(CCN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903751376 663477364 /nfs/dbraw/zinc/47/73/64/663477364.db2.gz DPPSVDPUBHIXKV-TWMKSMIVSA-N 1 3 311.470 0.796 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903735583 663477908 /nfs/dbraw/zinc/47/79/08/663477908.db2.gz BSDVBXFEDFPJGM-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CC(C)CN1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903876153 663491721 /nfs/dbraw/zinc/49/17/21/663491721.db2.gz DVBYRTYJLMNZDB-OAHLLOKOSA-N 1 3 306.458 0.976 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H]3NC(=O)CC[C@H]3C2)cnn1C ZINC000903933054 663496546 /nfs/dbraw/zinc/49/65/46/663496546.db2.gz KJLOVAHUPGIFOX-IJEWVQPXSA-N 1 3 319.453 0.446 20 0 DCADHO OCC1(C[C@H](O)CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000905076034 663530516 /nfs/dbraw/zinc/53/05/16/663530516.db2.gz LILLXUFUOFBOCY-JYJNAYRXSA-N 1 3 312.454 0.743 20 0 DCADHO OCC1(C[C@H](O)CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCC1 ZINC000905076034 663530518 /nfs/dbraw/zinc/53/05/18/663530518.db2.gz LILLXUFUOFBOCY-JYJNAYRXSA-N 1 3 312.454 0.743 20 0 DCADHO OCC1(C[C@H](O)CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000905076035 663530684 /nfs/dbraw/zinc/53/06/84/663530684.db2.gz LILLXUFUOFBOCY-OWCLPIDISA-N 1 3 312.454 0.743 20 0 DCADHO OCC1(C[C@H](O)CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000905076035 663530686 /nfs/dbraw/zinc/53/06/86/663530686.db2.gz LILLXUFUOFBOCY-OWCLPIDISA-N 1 3 312.454 0.743 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)N(C)C ZINC001011664553 663837966 /nfs/dbraw/zinc/83/79/66/663837966.db2.gz XDVAKUKGPAABGZ-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)N(C)C ZINC001011664553 663837968 /nfs/dbraw/zinc/83/79/68/663837968.db2.gz XDVAKUKGPAABGZ-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)N1CCCCC1 ZINC000910947205 663961657 /nfs/dbraw/zinc/96/16/57/663961657.db2.gz VLTJXDWISXPRCA-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911028455 663971967 /nfs/dbraw/zinc/97/19/67/663971967.db2.gz IMLQSHAXCMYRNJ-REWJHTLYSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911054833 663973076 /nfs/dbraw/zinc/97/30/76/663973076.db2.gz LZEVMVOOTGMZHY-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000911162077 663995722 /nfs/dbraw/zinc/99/57/22/663995722.db2.gz OMSWFCKKDBMZCP-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000911162916 663996071 /nfs/dbraw/zinc/99/60/71/663996071.db2.gz TYSWWHKVFBOSNV-JKIFEVAISA-N 1 3 322.453 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC000911212426 664005971 /nfs/dbraw/zinc/00/59/71/664005971.db2.gz YRYNUAAEXBLOHI-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911222330 664007739 /nfs/dbraw/zinc/00/77/39/664007739.db2.gz CYMIKHTVULQLHA-CABCVRRESA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC[NH2+]1 ZINC000911306006 664023895 /nfs/dbraw/zinc/02/38/95/664023895.db2.gz FMAACDPEIJLRBL-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCC[C@H](C)C1 ZINC000911494429 664064868 /nfs/dbraw/zinc/06/48/68/664064868.db2.gz QJWVOGCSDUUOJZ-YJNKXOJESA-N 1 3 324.469 0.467 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000911529298 664068548 /nfs/dbraw/zinc/06/85/48/664068548.db2.gz CJDPWZUFXDNKDL-GUYCJALGSA-N 1 3 322.453 0.174 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000911529220 664068668 /nfs/dbraw/zinc/06/86/68/664068668.db2.gz AJKQDNIQTIJCGX-CXAGYDPISA-N 1 3 322.453 0.174 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911533130 664069871 /nfs/dbraw/zinc/06/98/71/664069871.db2.gz NFZHJMNDNXEYSK-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C1 ZINC000911657697 664099128 /nfs/dbraw/zinc/09/91/28/664099128.db2.gz XVDVWIREQXXRKZ-STQMWFEESA-N 1 3 302.378 0.333 20 0 DCADHO CN(C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2)C1CC[NH2+]CC1 ZINC000911692131 664100974 /nfs/dbraw/zinc/10/09/74/664100974.db2.gz MAVXOJHQRLMLSZ-CQSZACIVSA-N 1 3 316.405 0.723 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cccc3c2OCCNC3)CCO1 ZINC000911884474 664119539 /nfs/dbraw/zinc/11/95/39/664119539.db2.gz QIBVPSMBZPHNAM-RISCZKNCSA-N 1 3 305.378 0.357 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c2c(nn1C)CCC2 ZINC000912303474 664158998 /nfs/dbraw/zinc/15/89/98/664158998.db2.gz JFCQYGBEEFLEMW-ZDUSSCGKSA-N 1 3 321.469 0.911 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c2c(nn1C)CCC2 ZINC000912303474 664158999 /nfs/dbraw/zinc/15/89/99/664158999.db2.gz JFCQYGBEEFLEMW-ZDUSSCGKSA-N 1 3 321.469 0.911 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991476377 664358327 /nfs/dbraw/zinc/35/83/27/664358327.db2.gz CMXJRECOMVLPEC-DZGCQCFKSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991476377 664358328 /nfs/dbraw/zinc/35/83/28/664358328.db2.gz CMXJRECOMVLPEC-DZGCQCFKSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCO)C1CC1)N1CCCCC1 ZINC001670556436 1157462010 /nfs/dbraw/zinc/46/20/10/1157462010.db2.gz LVYUFLFRKTWTHF-HZPDHXFCSA-N 1 3 311.470 0.974 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(CCOC)C1 ZINC000730732831 664804092 /nfs/dbraw/zinc/80/40/92/664804092.db2.gz DUHGHOYSMTVFRC-KBPBESRZSA-N 1 3 314.499 0.656 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(CCOC)C1 ZINC000730732831 664804093 /nfs/dbraw/zinc/80/40/93/664804093.db2.gz DUHGHOYSMTVFRC-KBPBESRZSA-N 1 3 314.499 0.656 20 0 DCADHO C[C@H]1[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CCCN1CCO ZINC000993475094 664971347 /nfs/dbraw/zinc/97/13/47/664971347.db2.gz DXIWSOGHBFESBN-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO CCN1CCN([C@H](C)CNC(=S)NCCC[NH+](C)C)CC1 ZINC000916003251 665055622 /nfs/dbraw/zinc/05/56/22/665055622.db2.gz VMQKJNZALKFVRA-CQSZACIVSA-N 1 3 315.531 0.428 20 0 DCADHO CN1CC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000918906864 665189191 /nfs/dbraw/zinc/18/91/91/665189191.db2.gz RUETVOUDEAJABW-ZFWWWQNUSA-N 1 3 309.458 0.158 20 0 DCADHO CN1CC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000918906864 665189194 /nfs/dbraw/zinc/18/91/94/665189194.db2.gz RUETVOUDEAJABW-ZFWWWQNUSA-N 1 3 309.458 0.158 20 0 DCADHO CN1CC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000918906861 665189217 /nfs/dbraw/zinc/18/92/17/665189217.db2.gz RUETVOUDEAJABW-DZGCQCFKSA-N 1 3 309.458 0.158 20 0 DCADHO CN1CC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000918906861 665189218 /nfs/dbraw/zinc/18/92/18/665189218.db2.gz RUETVOUDEAJABW-DZGCQCFKSA-N 1 3 309.458 0.158 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930113811 665254637 /nfs/dbraw/zinc/25/46/37/665254637.db2.gz NMMQFDKQFHIYCS-BHYGNILZSA-N 1 3 311.470 0.748 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930113811 665254639 /nfs/dbraw/zinc/25/46/39/665254639.db2.gz NMMQFDKQFHIYCS-BHYGNILZSA-N 1 3 311.470 0.748 20 0 DCADHO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930137298 665279718 /nfs/dbraw/zinc/27/97/18/665279718.db2.gz RFJOXAVPAPHBAL-ZBRFXRBCSA-N 1 3 323.481 0.748 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000941677811 666039823 /nfs/dbraw/zinc/03/98/23/666039823.db2.gz PNIGNTGJFURYQR-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000941677811 666039826 /nfs/dbraw/zinc/03/98/26/666039826.db2.gz PNIGNTGJFURYQR-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003636839 666336659 /nfs/dbraw/zinc/33/66/59/666336659.db2.gz XGVPUGBDDSAWHA-DZGCQCFKSA-N 1 3 320.441 0.056 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003636839 666336660 /nfs/dbraw/zinc/33/66/60/666336660.db2.gz XGVPUGBDDSAWHA-DZGCQCFKSA-N 1 3 320.441 0.056 20 0 DCADHO CC1(C)CO[C@@H](CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001032130538 666366900 /nfs/dbraw/zinc/36/69/00/666366900.db2.gz UKMAKRQNOBSKLN-OAHLLOKOSA-N 1 3 321.465 0.945 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032207418 666451642 /nfs/dbraw/zinc/45/16/42/666451642.db2.gz QIMHLDIURJJIAT-CYBMUJFWSA-N 1 3 305.422 0.791 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033595843 666767312 /nfs/dbraw/zinc/76/73/12/666767312.db2.gz VPVQIHGIJGGKOJ-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033595843 666767314 /nfs/dbraw/zinc/76/73/14/666767314.db2.gz VPVQIHGIJGGKOJ-CVEARBPZSA-N 1 3 319.453 0.758 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]CCn3cncn3)CC2)CCC1 ZINC000996664576 666853452 /nfs/dbraw/zinc/85/34/52/666853452.db2.gz KPJZKYUZUBITCW-UHFFFAOYSA-N 1 3 320.441 0.343 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCN(CC)C2=O)CC1)N(C)C ZINC000996711620 666869279 /nfs/dbraw/zinc/86/92/79/666869279.db2.gz JXYOPHPNJGLYBU-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)N(C)C ZINC000996712418 666870435 /nfs/dbraw/zinc/87/04/35/666870435.db2.gz OFDFIBVTZJMRMG-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001034567080 667073574 /nfs/dbraw/zinc/07/35/74/667073574.db2.gz VZDVYEBYPPOVOU-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CCN(CCO)CC1 ZINC001005586226 667100537 /nfs/dbraw/zinc/10/05/37/667100537.db2.gz WEUQQJNFIOHPEP-HZPDHXFCSA-N 1 3 309.454 0.918 20 0 DCADHO CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CCN(CCO)CC1 ZINC001005586226 667100541 /nfs/dbraw/zinc/10/05/41/667100541.db2.gz WEUQQJNFIOHPEP-HZPDHXFCSA-N 1 3 309.454 0.918 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CC2=CCCOC2)CC1 ZINC000863643582 667165610 /nfs/dbraw/zinc/16/56/10/667165610.db2.gz OUYGWASAIRXCFW-LSDHHAIUSA-N 1 3 307.394 0.590 20 0 DCADHO CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005743318 667189984 /nfs/dbraw/zinc/18/99/84/667189984.db2.gz ZNEAPWGLDJSSAU-GULBITTBSA-N 1 3 307.438 0.792 20 0 DCADHO C[NH2+]C1(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)CCC1 ZINC000863921858 667194031 /nfs/dbraw/zinc/19/40/31/667194031.db2.gz NCZILRXZLPNOGB-GJZGRUSLSA-N 1 3 319.453 0.714 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001035101441 667239105 /nfs/dbraw/zinc/23/91/05/667239105.db2.gz VLWYXAQFLIOXPX-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001035101441 667239107 /nfs/dbraw/zinc/23/91/07/667239107.db2.gz VLWYXAQFLIOXPX-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nnsc1CNC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997304888 667243715 /nfs/dbraw/zinc/24/37/15/667243715.db2.gz XKGORCPHDCWMEZ-GFCCVEGCSA-N 1 3 323.466 0.879 20 0 DCADHO Cc1nnsc1CNC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997304888 667243718 /nfs/dbraw/zinc/24/37/18/667243718.db2.gz XKGORCPHDCWMEZ-GFCCVEGCSA-N 1 3 323.466 0.879 20 0 DCADHO CN1CCC[C@H]([NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000997307527 667244687 /nfs/dbraw/zinc/24/46/87/667244687.db2.gz UBMNCIFDALWRPV-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001035125660 667251662 /nfs/dbraw/zinc/25/16/62/667251662.db2.gz LQTZZYZHMTVVKI-GOEBONIOSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001035125660 667251664 /nfs/dbraw/zinc/25/16/64/667251664.db2.gz LQTZZYZHMTVVKI-GOEBONIOSA-N 1 3 319.453 0.761 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001035126260 667251783 /nfs/dbraw/zinc/25/17/83/667251783.db2.gz WWWKJCMNTQSLRQ-OAHLLOKOSA-N 1 3 305.426 0.597 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1)[NH+](C)C ZINC001032459548 667277668 /nfs/dbraw/zinc/27/76/68/667277668.db2.gz GPGVCQPLKDKRBD-UGUYLWEFSA-N 1 3 309.454 0.894 20 0 DCADHO CCCCNC(=O)CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714832 667389975 /nfs/dbraw/zinc/38/99/75/667389975.db2.gz YNEKLPYCGBMWNR-MJBXVCDLSA-N 1 3 324.425 0.160 20 0 DCADHO Cc1cc(C)n(CCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866714231 667390140 /nfs/dbraw/zinc/39/01/40/667390140.db2.gz JEMATGPUFRGUOU-KFWWJZLASA-N 1 3 319.409 0.367 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)CC[N@@H+]1C ZINC001035710881 667402870 /nfs/dbraw/zinc/40/28/70/667402870.db2.gz XAXURGVWSKUWID-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)CC[N@H+]1C ZINC001035710881 667402872 /nfs/dbraw/zinc/40/28/72/667402872.db2.gz XAXURGVWSKUWID-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN3CC4CC3(C4)CO1)CC2 ZINC001035757535 667406783 /nfs/dbraw/zinc/40/67/83/667406783.db2.gz KKSIYZSEPDLHBB-CSLYMUCUSA-N 1 3 319.449 0.794 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001036203967 667429870 /nfs/dbraw/zinc/42/98/70/667429870.db2.gz IRSLIZOIZVCVKI-OCCSQVGLSA-N 1 3 317.397 0.071 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cncn1C ZINC001036208729 667430009 /nfs/dbraw/zinc/43/00/09/667430009.db2.gz XBFXJFWVVOPHIV-WFASDCNBSA-N 1 3 316.409 0.713 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCC1(C)C ZINC000867740513 667493328 /nfs/dbraw/zinc/49/33/28/667493328.db2.gz BHEGYLRFVIYCKL-OKILXGFUSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1ccccc1OC[C@@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000923285572 667495215 /nfs/dbraw/zinc/49/52/15/667495215.db2.gz HUGCUDCZGQRHCG-INIZCTEOSA-N 1 3 307.438 0.572 20 0 DCADHO C[NH+](C)CCN1CCC(CNC(=O)c2ncoc2CN)CC1 ZINC000884199878 667496603 /nfs/dbraw/zinc/49/66/03/667496603.db2.gz MVJNTNAVAZBXFF-UHFFFAOYSA-N 1 3 309.414 0.137 20 0 DCADHO Cc1ccc(C)c(OC[C@H](O)CN(C)CCN2CC[NH2+]CC2)c1 ZINC000923287281 667496938 /nfs/dbraw/zinc/49/69/38/667496938.db2.gz SGDIITYMZLMDOD-QGZVFWFLSA-N 1 3 321.465 0.880 20 0 DCADHO Cc1cc(C2(NC[C@H]3CC4(C[NH2+]C4)CO3)CCOCC2)on1 ZINC000923411398 667529353 /nfs/dbraw/zinc/52/93/53/667529353.db2.gz RYFYHSCDUCAYBC-CYBMUJFWSA-N 1 3 307.394 0.957 20 0 DCADHO [NH3+]CCOCCN1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC000923540551 667557920 /nfs/dbraw/zinc/55/79/20/667557920.db2.gz JRERAZOBMSEIAB-LSDHHAIUSA-N 1 3 305.422 0.944 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CCC1(C)C ZINC000884681208 667588681 /nfs/dbraw/zinc/58/86/81/667588681.db2.gz NWEIXPWLZZAERE-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CCC1(C)C ZINC000884691495 667593222 /nfs/dbraw/zinc/59/32/22/667593222.db2.gz JKRXUDGVOBTAFZ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884716590 667597964 /nfs/dbraw/zinc/59/79/64/667597964.db2.gz CKHISZIDRXXRCR-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000884776453 667605731 /nfs/dbraw/zinc/60/57/31/667605731.db2.gz UBLSTXAOIIPAJQ-TUVASFSCSA-N 1 3 322.453 0.173 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000884776426 667605758 /nfs/dbraw/zinc/60/57/58/667605758.db2.gz SHMGREYPAPTMRP-ILXRZTDVSA-N 1 3 322.453 0.459 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884787702 667607259 /nfs/dbraw/zinc/60/72/59/667607259.db2.gz ZFXIQPNWIGERHL-LXTVHRRPSA-N 1 3 322.453 0.234 20 0 DCADHO O=S(=O)(C1CNC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000923630029 667815590 /nfs/dbraw/zinc/81/55/90/667815590.db2.gz OXVLWYVTMJSQTO-UHFFFAOYSA-N 1 3 315.483 0.876 20 0 DCADHO O[C@H](CN1CCCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000743860365 667817702 /nfs/dbraw/zinc/81/77/02/667817702.db2.gz BVMLHODXTVHKMS-IAGOWNOFSA-N 1 3 311.470 0.630 20 0 DCADHO O[C@H](CN1CCCC1)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000743860365 667817705 /nfs/dbraw/zinc/81/77/05/667817705.db2.gz BVMLHODXTVHKMS-IAGOWNOFSA-N 1 3 311.470 0.630 20 0 DCADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873248372 668068246 /nfs/dbraw/zinc/06/82/46/668068246.db2.gz DSXBQQTZTPSIFO-BZNIZROVSA-N 1 3 320.393 0.721 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC000874274153 668165855 /nfs/dbraw/zinc/16/58/55/668165855.db2.gz RXXWDVLCEKTWMC-AWEZNQCLSA-N 1 3 308.426 0.023 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC000874274153 668165857 /nfs/dbraw/zinc/16/58/57/668165857.db2.gz RXXWDVLCEKTWMC-AWEZNQCLSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924478312 668209688 /nfs/dbraw/zinc/20/96/88/668209688.db2.gz JJSDXYJGEBCTHY-HZSPNIEDSA-N 1 3 310.442 0.836 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924478312 668209703 /nfs/dbraw/zinc/20/97/03/668209703.db2.gz JJSDXYJGEBCTHY-HZSPNIEDSA-N 1 3 310.442 0.836 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(CC[N@H+](C)Cc2ccccc2)C1=O ZINC000924516212 668214658 /nfs/dbraw/zinc/21/46/58/668214658.db2.gz AZOHSHYFAXCPRO-CQSZACIVSA-N 1 3 304.394 0.600 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2)C1=O ZINC000924516212 668214659 /nfs/dbraw/zinc/21/46/59/668214659.db2.gz AZOHSHYFAXCPRO-CQSZACIVSA-N 1 3 304.394 0.600 20 0 DCADHO CSC1(CN2C(=O)N[C@H](CN(C)C)C2=O)CC[NH+](C)CC1 ZINC000924892383 668248270 /nfs/dbraw/zinc/24/82/70/668248270.db2.gz IFVIJAIXQCHAPO-LLVKDONJSA-N 1 3 314.455 0.296 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@@H](C2CCCCC2)[NH+](C)C)C1=O ZINC000925280913 668289209 /nfs/dbraw/zinc/28/92/09/668289209.db2.gz BWDUTIWTSFAJMI-KGLIPLIRSA-N 1 3 310.442 0.979 20 0 DCADHO CS(=O)(=O)NCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925521692 668326662 /nfs/dbraw/zinc/32/66/62/668326662.db2.gz ZVAPWMFAOJSVFM-ZIAGYGMSSA-N 1 3 303.472 0.684 20 0 DCADHO CS(=O)(=O)NCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925521690 668326958 /nfs/dbraw/zinc/32/69/58/668326958.db2.gz ZVAPWMFAOJSVFM-KGLIPLIRSA-N 1 3 303.472 0.684 20 0 DCADHO CNS(=O)(=O)c1ccc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925725959 668342701 /nfs/dbraw/zinc/34/27/01/668342701.db2.gz FJEJMEQGMSYGAW-GJZGRUSLSA-N 1 3 323.462 0.997 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926172159 668382348 /nfs/dbraw/zinc/38/23/48/668382348.db2.gz YKWFLCDCSDQCPH-IETPZCKNSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926172159 668382349 /nfs/dbraw/zinc/38/23/49/668382349.db2.gz YKWFLCDCSDQCPH-IETPZCKNSA-N 1 3 311.470 0.923 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926174190 668383304 /nfs/dbraw/zinc/38/33/04/668383304.db2.gz QJOSDTBFGNVCEW-SRABZTEZSA-N 1 3 311.470 0.924 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926174190 668383305 /nfs/dbraw/zinc/38/33/05/668383305.db2.gz QJOSDTBFGNVCEW-SRABZTEZSA-N 1 3 311.470 0.924 20 0 DCADHO COC[C@@]1(C(=O)NCc2ccc(CC[NH3+])cc2)CCCCN1 ZINC000876518257 668460013 /nfs/dbraw/zinc/46/00/13/668460013.db2.gz OJGYVYTUZSUSAM-QGZVFWFLSA-N 1 3 305.422 0.963 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000876863342 668522671 /nfs/dbraw/zinc/52/26/71/668522671.db2.gz BGCNQWHLIVZMJN-CHWSQXEVSA-N 1 3 313.348 0.678 20 0 DCADHO O=S(=O)(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)C1CNC1 ZINC000923653583 668527832 /nfs/dbraw/zinc/52/78/32/668527832.db2.gz AMDCJKXXQIRKCD-KBPBESRZSA-N 1 3 313.398 0.162 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876966261 668544095 /nfs/dbraw/zinc/54/40/95/668544095.db2.gz SKHMAAOFEBRUNX-HSBSLETESA-N 1 3 310.442 0.021 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877208390 668576961 /nfs/dbraw/zinc/57/69/61/668576961.db2.gz ZIVNGNYMVMEHNX-NSHDSACASA-N 1 3 302.382 0.198 20 0 DCADHO Cc1ccc(CN2CC[C@H](NC(=O)C3=NO[C@H](C[NH3+])C3)C2)cc1 ZINC000877220548 668577888 /nfs/dbraw/zinc/57/78/88/668577888.db2.gz HAMYFOZMSNALHL-GJZGRUSLSA-N 1 3 316.405 0.789 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000877341696 668604429 /nfs/dbraw/zinc/60/44/29/668604429.db2.gz ZAWCSKABJFNQJY-HLLBOEOZSA-N 1 3 303.406 0.584 20 0 DCADHO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000769613432 668655433 /nfs/dbraw/zinc/65/54/33/668655433.db2.gz YADKSCXNOULJMN-CABCVRRESA-N 1 3 310.442 0.587 20 0 DCADHO CC[N@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000769613432 668655434 /nfs/dbraw/zinc/65/54/34/668655434.db2.gz YADKSCXNOULJMN-CABCVRRESA-N 1 3 310.442 0.587 20 0 DCADHO O=S(=O)(N[C@@H]1CCCCC12CC[NH2+]CC2)N1CCNCC1 ZINC000923670774 668717005 /nfs/dbraw/zinc/71/70/05/668717005.db2.gz GDXWQYVBJCTUHC-CYBMUJFWSA-N 1 3 316.471 0.038 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN1CCC(C)(C)C1)[N@H+](C)C1CC1 ZINC000929958003 668931998 /nfs/dbraw/zinc/93/19/98/668931998.db2.gz BTVYIBCJJQSDHM-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCN1CCC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000929958003 668932002 /nfs/dbraw/zinc/93/20/02/668932002.db2.gz BTVYIBCJJQSDHM-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)C[C@H]1C1CC1 ZINC000878813954 668933909 /nfs/dbraw/zinc/93/39/09/668933909.db2.gz BIQCRTNQSYBINQ-LSDHHAIUSA-N 1 3 323.437 0.328 20 0 DCADHO C[NH+]1CCC2(CCN(CCN3CCCS3(=O)=O)CC2)CC1 ZINC000879250761 669002495 /nfs/dbraw/zinc/00/24/95/669002495.db2.gz YTWKTGRJUJKJQY-UHFFFAOYSA-N 1 3 315.483 0.830 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)CC1 ZINC000930916044 669105294 /nfs/dbraw/zinc/10/52/94/669105294.db2.gz LEUXREXIKHVVRB-NFAWXSAZSA-N 1 3 324.469 0.561 20 0 DCADHO C[N@@H+]1CCN(Cc2ccc(CN3CCOCC3)cc2)C[C@H]1CO ZINC000931401147 669192511 /nfs/dbraw/zinc/19/25/11/669192511.db2.gz QUPPOIPEPHKIIJ-SFHVURJKSA-N 1 3 319.449 0.627 20 0 DCADHO C[N@H+]1CCN(Cc2ccc(CN3CCOCC3)cc2)C[C@H]1CO ZINC000931401147 669192513 /nfs/dbraw/zinc/19/25/13/669192513.db2.gz QUPPOIPEPHKIIJ-SFHVURJKSA-N 1 3 319.449 0.627 20 0 DCADHO CC(C)(C)[NH2+]CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000931899743 669285429 /nfs/dbraw/zinc/28/54/29/669285429.db2.gz ZKOHOIDALCSQSH-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO Cc1cccc(NCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000932808365 669423736 /nfs/dbraw/zinc/42/37/36/669423736.db2.gz DZJQQTKHGZPLGF-CYBMUJFWSA-N 1 3 319.409 0.129 20 0 DCADHO Cc1cccc(NCCNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)n1 ZINC000932808365 669423739 /nfs/dbraw/zinc/42/37/39/669423739.db2.gz DZJQQTKHGZPLGF-CYBMUJFWSA-N 1 3 319.409 0.129 20 0 DCADHO CCOC(=O)C1([C@@H](C)NC[C@@H](O)C[N@H+](C)CC)CCOCC1 ZINC000933884945 669548075 /nfs/dbraw/zinc/54/80/75/669548075.db2.gz VWYIRQIIGGZFKD-ZIAGYGMSSA-N 1 3 316.442 0.637 20 0 DCADHO CCOC(=O)C1([C@@H](C)NC[C@@H](O)C[N@@H+](C)CC)CCOCC1 ZINC000933884945 669548078 /nfs/dbraw/zinc/54/80/78/669548078.db2.gz VWYIRQIIGGZFKD-ZIAGYGMSSA-N 1 3 316.442 0.637 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCN1CCOC1=O ZINC000855345893 670700235 /nfs/dbraw/zinc/70/02/35/670700235.db2.gz JUHKQGHXSYMZHJ-ZDUSSCGKSA-N 1 3 314.430 0.217 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCN1CCOC1=O ZINC000855345893 670700239 /nfs/dbraw/zinc/70/02/39/670700239.db2.gz JUHKQGHXSYMZHJ-ZDUSSCGKSA-N 1 3 314.430 0.217 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(F)(F)F ZINC000848596247 670700557 /nfs/dbraw/zinc/70/05/57/670700557.db2.gz UQIWGXXTYIJTMN-BBBLOLIVSA-N 1 3 310.320 0.038 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cnn(C)n1 ZINC000855346251 670701000 /nfs/dbraw/zinc/70/10/00/670701000.db2.gz TZIPGFKZLBXJSG-ZDUSSCGKSA-N 1 3 310.446 0.136 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cnn(C)n1 ZINC000855346251 670701005 /nfs/dbraw/zinc/70/10/05/670701005.db2.gz TZIPGFKZLBXJSG-ZDUSSCGKSA-N 1 3 310.446 0.136 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000849484294 670809286 /nfs/dbraw/zinc/80/92/86/670809286.db2.gz AEQCSAAWPRJOPQ-CABCVRRESA-N 1 3 321.469 0.912 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849541197 670814100 /nfs/dbraw/zinc/81/41/00/670814100.db2.gz LYRALGDMHJAULD-CVEARBPZSA-N 1 3 321.469 0.912 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849541197 670814106 /nfs/dbraw/zinc/81/41/06/670814106.db2.gz LYRALGDMHJAULD-CVEARBPZSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1ccc([C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000852860680 671177556 /nfs/dbraw/zinc/17/75/56/671177556.db2.gz IFPYVBZFIUDBSS-HIFRSBDPSA-N 1 3 304.394 0.818 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000820496572 671206745 /nfs/dbraw/zinc/20/67/45/671206745.db2.gz ZLWJOIYXZZMMBI-INIZCTEOSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000820496572 671206747 /nfs/dbraw/zinc/20/67/47/671206747.db2.gz ZLWJOIYXZZMMBI-INIZCTEOSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@H]1CCCN1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000831970309 671694071 /nfs/dbraw/zinc/69/40/71/671694071.db2.gz CAJIKJQDCKBWKX-STQMWFEESA-N 1 3 306.414 0.417 20 0 DCADHO CCCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000841788265 671955426 /nfs/dbraw/zinc/95/54/26/671955426.db2.gz FWEUOARBSGRWCA-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841791384 671956488 /nfs/dbraw/zinc/95/64/88/671956488.db2.gz VRJDJLPYCXUIFL-SOUVJXGZSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC000842014602 671974101 /nfs/dbraw/zinc/97/41/01/671974101.db2.gz CXHRXZRRSDDJEQ-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1[nH]nc2c1CNCC2 ZINC000843507698 672108585 /nfs/dbraw/zinc/10/85/85/672108585.db2.gz MHXDTEJUAZZYAL-OAHLLOKOSA-N 1 3 311.389 0.754 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000846143767 672296837 /nfs/dbraw/zinc/29/68/37/672296837.db2.gz HNMWFJGDOTYVOK-GJZGRUSLSA-N 1 3 310.442 0.539 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867419938 672312256 /nfs/dbraw/zinc/31/22/56/672312256.db2.gz CODGZFHFGSCUDN-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867419938 672312257 /nfs/dbraw/zinc/31/22/57/672312257.db2.gz CODGZFHFGSCUDN-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1COCCN1C1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000846913856 672353160 /nfs/dbraw/zinc/35/31/60/672353160.db2.gz VMCMTLQZGZPFTQ-DOTOQJQBSA-N 1 3 311.470 0.628 20 0 DCADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CCO ZINC001037935934 693970374 /nfs/dbraw/zinc/97/03/74/693970374.db2.gz SXXHWYQXZJRJNI-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000955338844 686371389 /nfs/dbraw/zinc/37/13/89/686371389.db2.gz MPGJYRPJGVVEAV-UONOGXRCSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955338844 686371396 /nfs/dbraw/zinc/37/13/96/686371396.db2.gz MPGJYRPJGVVEAV-UONOGXRCSA-N 1 3 322.453 0.092 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000956947099 686916482 /nfs/dbraw/zinc/91/64/82/686916482.db2.gz RQVXLGKWZVWEBU-BLLLJJGKSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000956947099 686916483 /nfs/dbraw/zinc/91/64/83/686916483.db2.gz RQVXLGKWZVWEBU-BLLLJJGKSA-N 1 3 319.409 0.011 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000960216657 688327226 /nfs/dbraw/zinc/32/72/26/688327226.db2.gz IUSCJCVSAVXLEU-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000960216657 688327230 /nfs/dbraw/zinc/32/72/30/688327230.db2.gz IUSCJCVSAVXLEU-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961280680 688586869 /nfs/dbraw/zinc/58/68/69/688586869.db2.gz LEWWLDHVLIWIGF-ZBKZBXIDSA-N 1 3 319.449 0.552 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961280680 688586872 /nfs/dbraw/zinc/58/68/72/688586872.db2.gz LEWWLDHVLIWIGF-ZBKZBXIDSA-N 1 3 319.449 0.552 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961468109 688626167 /nfs/dbraw/zinc/62/61/67/688626167.db2.gz VUVRPPOQCBCBHT-BYNSBNAKSA-N 1 3 309.454 0.942 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961468109 688626169 /nfs/dbraw/zinc/62/61/69/688626169.db2.gz VUVRPPOQCBCBHT-BYNSBNAKSA-N 1 3 309.454 0.942 20 0 DCADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)C1CC[NH+](CC2CC2)CC1 ZINC000962254166 688862070 /nfs/dbraw/zinc/86/20/70/688862070.db2.gz LXJRAVKVNWVROZ-ZSHCYNCHSA-N 1 3 307.438 0.147 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038932634 694245193 /nfs/dbraw/zinc/24/51/93/694245193.db2.gz AGQJTEBPPVSKSV-QWHCGFSZSA-N 1 3 306.410 0.987 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038932634 694245196 /nfs/dbraw/zinc/24/51/96/694245196.db2.gz AGQJTEBPPVSKSV-QWHCGFSZSA-N 1 3 306.410 0.987 20 0 DCADHO CCn1ccc(CNCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000962699881 688968110 /nfs/dbraw/zinc/96/81/10/688968110.db2.gz BGBPEZWCSOHABG-BBBYJDLNSA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccc(CNCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000962699881 688968114 /nfs/dbraw/zinc/96/81/14/688968114.db2.gz BGBPEZWCSOHABG-BBBYJDLNSA-N 1 3 319.453 0.839 20 0 DCADHO Cc1cnc(CNCC2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000962704284 688968915 /nfs/dbraw/zinc/96/89/15/688968915.db2.gz SXYDVMOMRISNKY-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CNCC2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000962704284 688968919 /nfs/dbraw/zinc/96/89/19/688968919.db2.gz SXYDVMOMRISNKY-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000962782114 688978931 /nfs/dbraw/zinc/97/89/31/688978931.db2.gz VLBOVARXEHAUMN-FVQHAEBGSA-N 1 3 317.433 0.791 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962782114 688978936 /nfs/dbraw/zinc/97/89/36/688978936.db2.gz VLBOVARXEHAUMN-FVQHAEBGSA-N 1 3 317.433 0.791 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963908327 689109806 /nfs/dbraw/zinc/10/98/06/689109806.db2.gz RCWUCAVFXIZOBW-HSBZDZAISA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]([NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC000963954538 689112612 /nfs/dbraw/zinc/11/26/12/689112612.db2.gz BWHCKDQWTVFEPC-XSRFYTQQSA-N 1 3 307.398 0.185 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1)[NH+]1CCCCC1 ZINC000968672506 690362558 /nfs/dbraw/zinc/36/25/58/690362558.db2.gz GCQZCJWOAQHRBO-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1)[NH+](C)C ZINC000968990131 690445279 /nfs/dbraw/zinc/44/52/79/690445279.db2.gz TVOMZMCBLIHTGH-ZBFHGGJFSA-N 1 3 324.469 0.386 20 0 DCADHO COCC[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016819316 692777916 /nfs/dbraw/zinc/77/79/16/692777916.db2.gz JKCSCQDSKSIAOU-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001018856526 693264002 /nfs/dbraw/zinc/26/40/02/693264002.db2.gz IMOSWNPMUJEDJU-JKSUJKDBSA-N 1 3 317.437 0.452 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001018869798 693269335 /nfs/dbraw/zinc/26/93/35/693269335.db2.gz BXCLDRJHFPEASY-HRCADAONSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001018869798 693269338 /nfs/dbraw/zinc/26/93/38/693269338.db2.gz BXCLDRJHFPEASY-HRCADAONSA-N 1 3 319.453 0.841 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001018971589 693301748 /nfs/dbraw/zinc/30/17/48/693301748.db2.gz IXMVENVVHSGWER-AWEZNQCLSA-N 1 3 305.426 0.595 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001019032200 693329491 /nfs/dbraw/zinc/32/94/91/693329491.db2.gz LJBOXVVTSNKGAH-MELADBBJSA-N 1 3 320.441 0.296 20 0 DCADHO CC[C@@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(N)=O ZINC001019088576 693350597 /nfs/dbraw/zinc/35/05/97/693350597.db2.gz YLAWXBWVVYBGPU-QWHCGFSZSA-N 1 3 308.426 0.069 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001019394635 693460925 /nfs/dbraw/zinc/46/09/25/693460925.db2.gz LCABXPJJTKRFKM-ZNMIVQPWSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001073433736 694726708 /nfs/dbraw/zinc/72/67/08/694726708.db2.gz LKMKQGQKLCRCQO-AWEZNQCLSA-N 1 3 313.417 0.459 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001019593159 693534034 /nfs/dbraw/zinc/53/40/34/693534034.db2.gz LRYDBPLGILHHKM-GJZGRUSLSA-N 1 3 322.453 0.186 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001019652512 693554604 /nfs/dbraw/zinc/55/46/04/693554604.db2.gz OTGPMHOWXMIZRE-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001019652512 693554608 /nfs/dbraw/zinc/55/46/08/693554608.db2.gz OTGPMHOWXMIZRE-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO COC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072814346 694669525 /nfs/dbraw/zinc/66/95/25/694669525.db2.gz AMUNNVNIGYXDKZ-ZFWWWQNUSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001072814346 694669526 /nfs/dbraw/zinc/66/95/26/694669526.db2.gz AMUNNVNIGYXDKZ-ZFWWWQNUSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073599954 694749717 /nfs/dbraw/zinc/74/97/17/694749717.db2.gz SPLYKTQCCHRORM-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073599954 694749718 /nfs/dbraw/zinc/74/97/18/694749718.db2.gz SPLYKTQCCHRORM-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611223 694751638 /nfs/dbraw/zinc/75/16/38/694751638.db2.gz QSIKMBJCKKNRIS-RBSFLKMASA-N 1 3 313.442 0.180 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611223 694751639 /nfs/dbraw/zinc/75/16/39/694751639.db2.gz QSIKMBJCKKNRIS-RBSFLKMASA-N 1 3 313.442 0.180 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)[C@@H]1C)N(C)C ZINC001074710895 694918459 /nfs/dbraw/zinc/91/84/59/694918459.db2.gz JXZPGGOILSHHDW-ZQDZILKHSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)[C@@H]1CCCCN1C ZINC001074811932 694924774 /nfs/dbraw/zinc/92/47/74/694924774.db2.gz OGWVTJRRAXLPME-BPUTZDHNSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001074942736 694931221 /nfs/dbraw/zinc/93/12/21/694931221.db2.gz MOXYQOTUBCLWCA-AEGPPILISA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001077021098 695126794 /nfs/dbraw/zinc/12/67/94/695126794.db2.gz LDBWVNMWWHUJTB-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001077021098 695126797 /nfs/dbraw/zinc/12/67/97/695126797.db2.gz LDBWVNMWWHUJTB-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001691360432 1157653731 /nfs/dbraw/zinc/65/37/31/1157653731.db2.gz YUMZZOYQDXLKJU-CHWSQXEVSA-N 1 3 308.430 0.154 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCO)CC1 ZINC001691376900 1157656149 /nfs/dbraw/zinc/65/61/49/1157656149.db2.gz JKPQXPUUPPMHRL-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N(CCO)CCNCCF ZINC001754893827 1157886030 /nfs/dbraw/zinc/88/60/30/1157886030.db2.gz JUKMFTDLHOBKDZ-ZIAGYGMSSA-N 1 3 301.406 0.383 20 0 DCADHO O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N(CCO)CCNCCF ZINC001754893827 1157886037 /nfs/dbraw/zinc/88/60/37/1157886037.db2.gz JUKMFTDLHOBKDZ-ZIAGYGMSSA-N 1 3 301.406 0.383 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)[C@H]2C1 ZINC001648944145 1158013842 /nfs/dbraw/zinc/01/38/42/1158013842.db2.gz XQOPZYLDUVZJDP-QMHWVQJVSA-N 1 3 322.453 0.489 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)[C@H]2C1 ZINC001648944145 1158013848 /nfs/dbraw/zinc/01/38/48/1158013848.db2.gz XQOPZYLDUVZJDP-QMHWVQJVSA-N 1 3 322.453 0.489 20 0 DCADHO CCc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC001648962383 1158189403 /nfs/dbraw/zinc/18/94/03/1158189403.db2.gz RHKZOGIXNKYWKO-DLBZAZTESA-N 1 3 318.465 0.872 20 0 DCADHO [NH3+]Cc1nc(CC(=O)N2CC[C@@H](CN3CCOCC3)C2)cs1 ZINC001648976710 1158264520 /nfs/dbraw/zinc/26/45/20/1158264520.db2.gz ZGQVGBIOKWFNJE-LBPRGKRZSA-N 1 3 324.450 0.325 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001649001980 1158368443 /nfs/dbraw/zinc/36/84/43/1158368443.db2.gz UUPKOMBOEGJHQP-CWRNSKLLSA-N 1 3 306.454 0.365 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001649001980 1158368450 /nfs/dbraw/zinc/36/84/50/1158368450.db2.gz UUPKOMBOEGJHQP-CWRNSKLLSA-N 1 3 306.454 0.365 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)CCCC[NH+]1CCCC1 ZINC001691634104 1158410038 /nfs/dbraw/zinc/41/00/38/1158410038.db2.gz PWTCEUPRUUGAKF-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001687482492 1158646792 /nfs/dbraw/zinc/64/67/92/1158646792.db2.gz VGECWSALGPFDTE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001687482492 1158646796 /nfs/dbraw/zinc/64/67/96/1158646796.db2.gz VGECWSALGPFDTE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001649157122 1158835213 /nfs/dbraw/zinc/83/52/13/1158835213.db2.gz LWOUTMJUZRVOBC-HZMVEIRTSA-N 1 3 321.465 0.680 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)CCCC[NH+](C)C)C2)C1 ZINC001721365080 1158943263 /nfs/dbraw/zinc/94/32/63/1158943263.db2.gz GXBSIGKLSCDCBS-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001446552478 1159468883 /nfs/dbraw/zinc/46/88/83/1159468883.db2.gz BYKBHYBPTDYINT-XJKSGUPXSA-N 1 3 320.441 0.298 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001446775285 1159533083 /nfs/dbraw/zinc/53/30/83/1159533083.db2.gz WBOHNIAZGFFLID-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001447183232 1159597791 /nfs/dbraw/zinc/59/77/91/1159597791.db2.gz OIDVRDTYDIKOOG-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001447183232 1159597796 /nfs/dbraw/zinc/59/77/96/1159597796.db2.gz OIDVRDTYDIKOOG-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001566770870 1160148426 /nfs/dbraw/zinc/14/84/26/1160148426.db2.gz RICWPJSGPPPZKU-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO COCCOCC[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001570382037 1161585434 /nfs/dbraw/zinc/58/54/34/1161585434.db2.gz BAXMLEZMRKZLGG-UHFFFAOYSA-N 1 3 324.425 0.586 20 0 DCADHO CC(C)(C)N1CC[C@@H]1CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001575139589 1163914668 /nfs/dbraw/zinc/91/46/68/1163914668.db2.gz NPARJKRACJAWLH-MLGOLLRUSA-N 1 3 308.426 0.874 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C1(F)CC[NH2+]CC1 ZINC001575962727 1164195178 /nfs/dbraw/zinc/19/51/78/1164195178.db2.gz WIHRKYLNAKZDRL-ZDUSSCGKSA-N 1 3 300.422 0.220 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[C@](C)(O)C2CC2)CC2(CC[NH2+]CC2)O1 ZINC001576799939 1164469263 /nfs/dbraw/zinc/46/92/63/1164469263.db2.gz DUNKHNCUIYTBMH-BMFZPTHFSA-N 1 3 312.454 0.741 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC2(CC1)CNCCO2 ZINC001576996453 1164577543 /nfs/dbraw/zinc/57/75/43/1164577543.db2.gz RYRWWTQWAAUIJI-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC2(CC1)CNCCO2 ZINC001576996453 1164577548 /nfs/dbraw/zinc/57/75/48/1164577548.db2.gz RYRWWTQWAAUIJI-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CCN(C)Cc1cc(O[C@@H]2CCN(C[C@@](C)(O)C[NH3+])C2)ccn1 ZINC001577654946 1164755546 /nfs/dbraw/zinc/75/55/46/1164755546.db2.gz LQSMNQHSGHGDSK-SJORKVTESA-N 1 3 322.453 0.696 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](NCc2c[nH]nn2)C1 ZINC001577828278 1164807078 /nfs/dbraw/zinc/80/70/78/1164807078.db2.gz SRSGAOZBGUWLIM-ZDUSSCGKSA-N 1 3 306.414 0.371 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)C1 ZINC001578526013 1165045070 /nfs/dbraw/zinc/04/50/70/1165045070.db2.gz WXGCWRJYTQMQIH-RHSMWYFYSA-N 1 3 316.405 0.221 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)C1 ZINC001578526013 1165045078 /nfs/dbraw/zinc/04/50/78/1165045078.db2.gz WXGCWRJYTQMQIH-RHSMWYFYSA-N 1 3 316.405 0.221 20 0 DCADHO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccnc([C@@H]3CCCN3)n2)C1 ZINC001578525979 1165045211 /nfs/dbraw/zinc/04/52/11/1165045211.db2.gz VVFUWQPCAUFBGS-NHYWBVRUSA-N 1 3 320.397 0.089 20 0 DCADHO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccnc([C@@H]3CCCN3)n2)C1 ZINC001578525979 1165045213 /nfs/dbraw/zinc/04/52/13/1165045213.db2.gz VVFUWQPCAUFBGS-NHYWBVRUSA-N 1 3 320.397 0.089 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@@H]([NH3+])CC(F)(F)F)CC1 ZINC001578529681 1165045977 /nfs/dbraw/zinc/04/59/77/1165045977.db2.gz XDCOVCGFWAQWJK-RYUDHWBXSA-N 1 3 322.375 0.505 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC001578640339 1165073355 /nfs/dbraw/zinc/07/33/55/1165073355.db2.gz GSPWIXYEGMKTOR-GXTWGEPZSA-N 1 3 313.467 0.855 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001578639908 1165073842 /nfs/dbraw/zinc/07/38/42/1165073842.db2.gz DCNLHVBPFXTFMG-BHDPWAOGSA-N 1 3 311.470 0.926 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001578641435 1165074763 /nfs/dbraw/zinc/07/47/63/1165074763.db2.gz SBNOGANAWXKJSH-GDBMZVCRSA-N 1 3 307.438 0.793 20 0 DCADHO COCC[C@@H]1CNCCN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001579011320 1165187854 /nfs/dbraw/zinc/18/78/54/1165187854.db2.gz XSVOGBAZLUYOLY-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[C@@H]1CNCCN1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC001579011320 1165187858 /nfs/dbraw/zinc/18/78/58/1165187858.db2.gz XSVOGBAZLUYOLY-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COCCOc1cccc(CN[C@H]2CC(=O)N(C3C[NH2+]C3)C2)c1 ZINC001579065857 1165198901 /nfs/dbraw/zinc/19/89/01/1165198901.db2.gz PHFJRZHAXUITDF-AWEZNQCLSA-N 1 3 319.405 0.374 20 0 DCADHO COc1cccc([C@H](CNC(=O)C[C@H](O)C[NH3+])N2CCCC2)c1 ZINC001579258761 1165251896 /nfs/dbraw/zinc/25/18/96/1165251896.db2.gz APZKLOLCOMKFER-HOCLYGCPSA-N 1 3 321.421 0.658 20 0 DCADHO [NH3+]C[C@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC001580333180 1165574746 /nfs/dbraw/zinc/57/47/46/1165574746.db2.gz SBBDJWNGAWEJDV-SHTZXODSSA-N 1 3 310.442 0.478 20 0 DCADHO N[C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)c1ccccc1 ZINC001580364677 1165585591 /nfs/dbraw/zinc/58/55/91/1165585591.db2.gz URLLJIMCPBRCQR-ZMSDIMECSA-N 1 3 319.405 0.028 20 0 DCADHO N[C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)c1ccccc1 ZINC001580364677 1165585594 /nfs/dbraw/zinc/58/55/94/1165585594.db2.gz URLLJIMCPBRCQR-ZMSDIMECSA-N 1 3 319.405 0.028 20 0 DCADHO [NH3+][C@@H](C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21)c1ccccc1 ZINC001580364677 1165585600 /nfs/dbraw/zinc/58/56/00/1165585600.db2.gz URLLJIMCPBRCQR-ZMSDIMECSA-N 1 3 319.405 0.028 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001580497511 1165622680 /nfs/dbraw/zinc/62/26/80/1165622680.db2.gz ATBJSXUPULXQIX-WMZOPIPTSA-N 1 3 317.433 0.882 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC12CC[NH2+]CC2 ZINC001580661520 1165678641 /nfs/dbraw/zinc/67/86/41/1165678641.db2.gz YFPJRKBIVGGRIB-KBPBESRZSA-N 1 3 308.426 0.387 20 0 DCADHO O[C@H](CNC[C@H]1CCC[N@H+](CC2CC2)C1)C[C@]1(O)CCOC1 ZINC001646522617 1172412733 /nfs/dbraw/zinc/41/27/33/1172412733.db2.gz REXSTPMSLBQMBU-IXDOHACOSA-N 1 3 312.454 0.600 20 0 DCADHO O[C@H](CNC[C@H]1CCC[N@@H+](CC2CC2)C1)C[C@]1(O)CCOC1 ZINC001646522617 1172412740 /nfs/dbraw/zinc/41/27/40/1172412740.db2.gz REXSTPMSLBQMBU-IXDOHACOSA-N 1 3 312.454 0.600 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001646792624 1172535485 /nfs/dbraw/zinc/53/54/85/1172535485.db2.gz XEGKPEJKEPAJLT-HOTGVXAUSA-N 1 3 317.433 0.831 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001649879094 1173278999 /nfs/dbraw/zinc/27/89/99/1173278999.db2.gz BXYIDLNMDABHQI-ZYHUDNBSSA-N 1 3 322.413 0.123 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001649879094 1173279001 /nfs/dbraw/zinc/27/90/01/1173279001.db2.gz BXYIDLNMDABHQI-ZYHUDNBSSA-N 1 3 322.413 0.123 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001650388338 1173610551 /nfs/dbraw/zinc/61/05/51/1173610551.db2.gz BGWLJVDOXAYIGD-HUUCEWRRSA-N 1 3 304.438 0.641 20 0 DCADHO CC[NH+]1CCC(CN2CCN(CCOCCOC)CC2)CC1 ZINC001659560298 1173934059 /nfs/dbraw/zinc/93/40/59/1173934059.db2.gz HMUYSZOYQYRNQM-UHFFFAOYSA-N 1 3 313.486 0.999 20 0 DCADHO C[C@H]1COCCN1CC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001659832230 1173937047 /nfs/dbraw/zinc/93/70/47/1173937047.db2.gz XAKIMUGLDUYEIX-INIZCTEOSA-N 1 3 310.486 0.419 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001662686102 1174231346 /nfs/dbraw/zinc/23/13/46/1174231346.db2.gz WLHWNOZKDLHZNR-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO CN(CC[NH2+]C[C@H](O)Cc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001663855850 1174363214 /nfs/dbraw/zinc/36/32/14/1174363214.db2.gz JMTWMJMKPTVVDJ-SJORKVTESA-N 1 3 319.449 0.732 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCc1ccnn1C ZINC001664391528 1174429362 /nfs/dbraw/zinc/42/93/62/1174429362.db2.gz NRQUTVYLRMMJJX-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+]C/C=C\Cl)C1 ZINC001672677324 1175141300 /nfs/dbraw/zinc/14/13/00/1175141300.db2.gz VKPDKKUSPOQJNO-QDOCKXBDSA-N 1 3 303.834 0.491 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(CCO)CC[NH2+]C/C=C/Cl)C1 ZINC001672677321 1175141535 /nfs/dbraw/zinc/14/15/35/1175141535.db2.gz VKPDKKUSPOQJNO-CXLRFSCWSA-N 1 3 303.834 0.491 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001675791216 1175391922 /nfs/dbraw/zinc/39/19/22/1175391922.db2.gz COCZQVJBTOVCBI-RBSFLKMASA-N 1 3 320.441 0.104 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001686661279 1176186434 /nfs/dbraw/zinc/18/64/34/1176186434.db2.gz VQYACTJCJDSFRS-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001686661279 1176186439 /nfs/dbraw/zinc/18/64/39/1176186439.db2.gz VQYACTJCJDSFRS-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001690066765 1177159381 /nfs/dbraw/zinc/15/93/81/1177159381.db2.gz LCOFQUIYAWIQJW-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCCN1CCN(CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001690066765 1177159384 /nfs/dbraw/zinc/15/93/84/1177159384.db2.gz LCOFQUIYAWIQJW-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCCN2CC(N)=O)C1 ZINC001690909252 1177347338 /nfs/dbraw/zinc/34/73/38/1177347338.db2.gz BYNRRMHKIXPLHF-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCC[C@H]2CCCN2CC(N)=O)C1 ZINC001690909252 1177347342 /nfs/dbraw/zinc/34/73/42/1177347342.db2.gz BYNRRMHKIXPLHF-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001690909252 1177347344 /nfs/dbraw/zinc/34/73/44/1177347344.db2.gz BYNRRMHKIXPLHF-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001690909252 1177347347 /nfs/dbraw/zinc/34/73/47/1177347347.db2.gz BYNRRMHKIXPLHF-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1)N(C)C1CC1 ZINC000134290323 1177531294 /nfs/dbraw/zinc/53/12/94/1177531294.db2.gz WSRNXOGSUDNFIO-CQSZACIVSA-N 1 3 318.469 0.801 20 0 DCADHO C[C@H](CNCc1cnc(N2CCN(C)CC2)nc1)[N@H+](C)C1CC1 ZINC000134290323 1177531299 /nfs/dbraw/zinc/53/12/99/1177531299.db2.gz WSRNXOGSUDNFIO-CQSZACIVSA-N 1 3 318.469 0.801 20 0 DCADHO C[C@H](CNCc1cnc(N2CCN(C)CC2)nc1)[N@@H+](C)C1CC1 ZINC000134290323 1177531304 /nfs/dbraw/zinc/53/13/04/1177531304.db2.gz WSRNXOGSUDNFIO-CQSZACIVSA-N 1 3 318.469 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CCCO)C2)C1 ZINC001698698047 1177611261 /nfs/dbraw/zinc/61/12/61/1177611261.db2.gz QPGDSMGYQHJKKY-JKSUJKDBSA-N 1 3 311.470 0.929 20 0 DCADHO CNC(=O)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001698697767 1177611599 /nfs/dbraw/zinc/61/15/99/1177611599.db2.gz BMKXZYFIVFUFGA-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC/C=C/C[NH2+]CCO)C1 ZINC001699309549 1178052562 /nfs/dbraw/zinc/05/25/62/1178052562.db2.gz UFZHWTUPVNEVSB-RGDDUWESSA-N 1 3 301.406 0.453 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001720136525 1180539854 /nfs/dbraw/zinc/53/98/54/1180539854.db2.gz YBJQAIBIGUATHF-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001720136525 1180539858 /nfs/dbraw/zinc/53/98/58/1180539858.db2.gz YBJQAIBIGUATHF-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc3cnccn23)CC1 ZINC000156608647 1180558136 /nfs/dbraw/zinc/55/81/36/1180558136.db2.gz RPMHCYSZPWIJNQ-AWEZNQCLSA-N 1 3 302.426 0.845 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001713027759 1180635766 /nfs/dbraw/zinc/63/57/66/1180635766.db2.gz GXDNYLLJBVDWSM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001713027759 1180635773 /nfs/dbraw/zinc/63/57/73/1180635773.db2.gz GXDNYLLJBVDWSM-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001713206050 1180718985 /nfs/dbraw/zinc/71/89/85/1180718985.db2.gz BDCDZJLUTQTXEP-OKILXGFUSA-N 1 3 306.410 0.924 20 0 DCADHO C[C@H](O)C[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001714283799 1181306683 /nfs/dbraw/zinc/30/66/83/1181306683.db2.gz MDLJAHQKVSTJQH-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)Cc1c[nH]cn1 ZINC001714778453 1181540017 /nfs/dbraw/zinc/54/00/17/1181540017.db2.gz UUIBKRUPHQLKOM-GFCCVEGCSA-N 1 3 307.398 0.011 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715756648 1181978703 /nfs/dbraw/zinc/97/87/03/1181978703.db2.gz GNANQEOCAZQWRB-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715756648 1181978706 /nfs/dbraw/zinc/97/87/06/1181978706.db2.gz GNANQEOCAZQWRB-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C/C=C/CNC(=O)[C@H]2CCCN2C)n1 ZINC001715801189 1182011173 /nfs/dbraw/zinc/01/11/73/1182011173.db2.gz TXMQUVHGADWGMU-DWTRPJMMSA-N 1 3 319.453 0.856 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001715859973 1182057916 /nfs/dbraw/zinc/05/79/16/1182057916.db2.gz DGNWZWAKTPTXBJ-YTCPFPDASA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001715859973 1182057921 /nfs/dbraw/zinc/05/79/21/1182057921.db2.gz DGNWZWAKTPTXBJ-YTCPFPDASA-N 1 3 324.469 0.455 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715907072 1182093031 /nfs/dbraw/zinc/09/30/31/1182093031.db2.gz IGEVBQBHOPIVNB-BEVHLOIGSA-N 1 3 310.442 0.115 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715907072 1182093037 /nfs/dbraw/zinc/09/30/37/1182093037.db2.gz IGEVBQBHOPIVNB-BEVHLOIGSA-N 1 3 310.442 0.115 20 0 DCADHO CCn1cc(CC[NH2+]C[C@@H](C)NC(=O)Cc2nc[nH]c2C)cn1 ZINC001715957341 1182119175 /nfs/dbraw/zinc/11/91/75/1182119175.db2.gz JNKOGAOMTNWAKO-GFCCVEGCSA-N 1 3 318.425 0.814 20 0 DCADHO C[C@H](O)CN1CCC[C@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001717028379 1182634204 /nfs/dbraw/zinc/63/42/04/1182634204.db2.gz RLRMHGCHXZYTMN-HOCLYGCPSA-N 1 3 315.458 0.042 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001717828112 1183021036 /nfs/dbraw/zinc/02/10/36/1183021036.db2.gz OJZIZVLVRXQCPZ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOC1CCC1 ZINC001724940453 1184630145 /nfs/dbraw/zinc/63/01/45/1184630145.db2.gz ASIHJTIEXKUOQT-SWLSCSKDSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)CCOCCO ZINC001725182099 1184711263 /nfs/dbraw/zinc/71/12/63/1184711263.db2.gz YQLIZMWKOWNVQM-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)CCOCCO ZINC001725182099 1184711270 /nfs/dbraw/zinc/71/12/70/1184711270.db2.gz YQLIZMWKOWNVQM-KKUMJFAQSA-N 1 3 315.458 0.162 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]CCCO)[C@H]2C1 ZINC001725621547 1184916621 /nfs/dbraw/zinc/91/66/21/1184916621.db2.gz KTJKBKXPXBXKHG-QEJZJMRPSA-N 1 3 306.410 0.551 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCO ZINC001725711275 1184960995 /nfs/dbraw/zinc/96/09/95/1184960995.db2.gz RLJXOJZUWZNQRB-CABCVRRESA-N 1 3 315.458 0.041 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CCn1cccn1 ZINC001731548923 1185386054 /nfs/dbraw/zinc/38/60/54/1185386054.db2.gz NLVNOQKYVAJKRW-OAHLLOKOSA-N 1 3 316.409 0.820 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cncn1C)NC(=O)CN(C)C1CCC1 ZINC001732702606 1185927938 /nfs/dbraw/zinc/92/79/38/1185927938.db2.gz OZLTXCVAFKPZFL-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)CN(C)C(C)C ZINC001732813220 1185980816 /nfs/dbraw/zinc/98/08/16/1185980816.db2.gz VZRCBFNKFRLSFF-AWEZNQCLSA-N 1 3 322.457 0.544 20 0 DCADHO Cn1ccc(CNCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001733675922 1186397193 /nfs/dbraw/zinc/39/71/93/1186397193.db2.gz DSXHDMNYSRLSGA-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNCC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001733675922 1186397197 /nfs/dbraw/zinc/39/71/97/1186397197.db2.gz DSXHDMNYSRLSGA-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001736750789 1187085820 /nfs/dbraw/zinc/08/58/20/1187085820.db2.gz ZXOLEXKRIFPWCI-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001736750789 1187085824 /nfs/dbraw/zinc/08/58/24/1187085824.db2.gz ZXOLEXKRIFPWCI-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001736936617 1187186896 /nfs/dbraw/zinc/18/68/96/1187186896.db2.gz WOALEXGCIRHQKZ-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001736936617 1187186898 /nfs/dbraw/zinc/18/68/98/1187186898.db2.gz WOALEXGCIRHQKZ-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001752628921 1188430240 /nfs/dbraw/zinc/43/02/40/1188430240.db2.gz MNBHBORNPWAHOR-RBSFLKMASA-N 1 3 313.442 0.105 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001753202621 1188533920 /nfs/dbraw/zinc/53/39/20/1188533920.db2.gz NVKUJUAQSPOFGK-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001753202621 1188533922 /nfs/dbraw/zinc/53/39/22/1188533922.db2.gz NVKUJUAQSPOFGK-CVEARBPZSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCn1cccn1 ZINC001754017712 1188712344 /nfs/dbraw/zinc/71/23/44/1188712344.db2.gz GSHHBCYEGWYGSS-LBPRGKRZSA-N 1 3 304.398 0.642 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCn1cccn1 ZINC001754017711 1188712513 /nfs/dbraw/zinc/71/25/13/1188712513.db2.gz GSHHBCYEGWYGSS-GFCCVEGCSA-N 1 3 304.398 0.642 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCNC1=O)C(=O)CN(C)C1CCC1 ZINC001754375395 1188837277 /nfs/dbraw/zinc/83/72/77/1188837277.db2.gz BBECGKJSTJPJAY-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CSCC[C@H](N)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001771744117 1190486343 /nfs/dbraw/zinc/48/63/43/1190486343.db2.gz HGNZNUREEUPNTR-JSGCOSHPSA-N 1 3 315.483 0.684 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC001771778200 1190496548 /nfs/dbraw/zinc/49/65/48/1190496548.db2.gz BZSKMRCUQBBRSV-UHFFFAOYSA-N 1 3 316.365 0.099 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)NC[C@H]1CCCCN1CCO)C2 ZINC001772074814 1190604181 /nfs/dbraw/zinc/60/41/81/1190604181.db2.gz FFDFZMSAUCVLGH-SWAPUOLTSA-N 1 3 310.442 0.402 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001772242078 1190640612 /nfs/dbraw/zinc/64/06/12/1190640612.db2.gz PEDJGCNGOICINX-BPNCWPANSA-N 1 3 316.405 0.769 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1c[nH]nn1 ZINC001575420502 1164007830 /nfs/dbraw/zinc/00/78/30/1164007830.db2.gz LNKNOTUECMXCKK-CQSZACIVSA-N 1 3 308.430 0.616 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCNCc1c[nH]nn1 ZINC001575420502 1164007836 /nfs/dbraw/zinc/00/78/36/1164007836.db2.gz LNKNOTUECMXCKK-CQSZACIVSA-N 1 3 308.430 0.616 20 0 DCADHO CC(C)CN1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001164651093 719330927 /nfs/dbraw/zinc/33/09/27/719330927.db2.gz CFGYHQBAJRRCEZ-UHFFFAOYSA-N 1 3 304.442 0.664 20 0 DCADHO CN1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]21 ZINC001164669738 719422927 /nfs/dbraw/zinc/42/29/27/719422927.db2.gz MOVDNMNDOHUPRS-CABCVRRESA-N 1 3 317.437 0.528 20 0 DCADHO CCN(CCNCc1c[nH]nn1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001576541554 1164383914 /nfs/dbraw/zinc/38/39/14/1164383914.db2.gz CGSIRBWSLQXUGB-UHFFFAOYSA-N 1 3 308.430 0.617 20 0 DCADHO CCCN(C)CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001577058429 1164594568 /nfs/dbraw/zinc/59/45/68/1164594568.db2.gz ZFTUDQVZKSLFNC-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001577058429 1164594575 /nfs/dbraw/zinc/59/45/75/1164594575.db2.gz ZFTUDQVZKSLFNC-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@H](NC[C@H](C[NH3+])Cc1cnn(C)c1C)[C@H](O)C(F)F ZINC001577175837 1164620687 /nfs/dbraw/zinc/62/06/87/1164620687.db2.gz JPSAHSBMGNCTOG-DRZSPHRISA-N 1 3 304.385 0.840 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466482 751406463 /nfs/dbraw/zinc/40/64/63/751406463.db2.gz MMCCGRXMUFIWFF-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(C)(C)C ZINC001127659989 751610121 /nfs/dbraw/zinc/61/01/21/751610121.db2.gz QKJHMKKDKILIBR-YNEHKIRRSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(C)(C)C ZINC001127659989 751610128 /nfs/dbraw/zinc/61/01/28/751610128.db2.gz QKJHMKKDKILIBR-YNEHKIRRSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)CC[N@@H+]1C ZINC001077571353 751624056 /nfs/dbraw/zinc/62/40/56/751624056.db2.gz MAIUGOANZOBNEB-ARLBYUKCSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)CC[N@H+]1C ZINC001077571353 751624059 /nfs/dbraw/zinc/62/40/59/751624059.db2.gz MAIUGOANZOBNEB-ARLBYUKCSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001107039475 751788904 /nfs/dbraw/zinc/78/89/04/751788904.db2.gz TVHMAEOABCQHMJ-HUUCEWRRSA-N 1 3 324.469 0.243 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098533272 747026883 /nfs/dbraw/zinc/02/68/83/747026883.db2.gz ZXFNAWBVQQSEQL-CQSZACIVSA-N 1 3 315.433 0.583 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098533272 747026891 /nfs/dbraw/zinc/02/68/91/747026891.db2.gz ZXFNAWBVQQSEQL-CQSZACIVSA-N 1 3 315.433 0.583 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001167232793 747031711 /nfs/dbraw/zinc/03/17/11/747031711.db2.gz QDKFQPROVQSHKY-KBPBESRZSA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)(C)OC(=O)NCCCCN1CCN(CC[NH3+])CC1 ZINC001209976045 747042663 /nfs/dbraw/zinc/04/26/63/747042663.db2.gz BYCXZKXOENRJEN-UHFFFAOYSA-N 1 3 300.447 0.868 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001210811530 747138170 /nfs/dbraw/zinc/13/81/70/747138170.db2.gz PEQJSPGRFHNZGY-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001210811797 747138304 /nfs/dbraw/zinc/13/83/04/747138304.db2.gz RHEVWBPKUDVRLF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO O[C@]1(CNC[C@H]2COCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000690765245 747557457 /nfs/dbraw/zinc/55/74/57/747557457.db2.gz KMVIGKLGRWXHRF-IRXDYDNUSA-N 1 3 306.406 0.628 20 0 DCADHO O[C@]1(CNC[C@H]2COCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000690765245 747557464 /nfs/dbraw/zinc/55/74/64/747557464.db2.gz KMVIGKLGRWXHRF-IRXDYDNUSA-N 1 3 306.406 0.628 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001087259445 747572928 /nfs/dbraw/zinc/57/29/28/747572928.db2.gz OQAMUCYHFFXUON-ZYHUDNBSSA-N 1 3 307.398 0.106 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001087259445 747572935 /nfs/dbraw/zinc/57/29/35/747572935.db2.gz OQAMUCYHFFXUON-ZYHUDNBSSA-N 1 3 307.398 0.106 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112529890 748318754 /nfs/dbraw/zinc/31/87/54/748318754.db2.gz UESUNRBPJPQUQY-VYDXJSESSA-N 1 3 309.454 0.681 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001167815447 748368551 /nfs/dbraw/zinc/36/85/51/748368551.db2.gz UUGMVNWNKIDFSV-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCn1cccn1 ZINC001087828355 749070795 /nfs/dbraw/zinc/07/07/95/749070795.db2.gz IXMPVDAHFOCERY-OWCLPIDISA-N 1 3 319.453 0.804 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCn1cccn1 ZINC001087828355 749070796 /nfs/dbraw/zinc/07/07/96/749070796.db2.gz IXMPVDAHFOCERY-OWCLPIDISA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001088382342 749411802 /nfs/dbraw/zinc/41/18/02/749411802.db2.gz ZFIGUKWZYGRVTC-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCc2cnn(C)c2)C1 ZINC001100901932 749524524 /nfs/dbraw/zinc/52/45/24/749524524.db2.gz VYXNJRJZGQVSPB-UHFFFAOYSA-N 1 3 321.469 0.789 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CN1CCO ZINC001071599958 761983978 /nfs/dbraw/zinc/98/39/78/761983978.db2.gz BXYKRBBOFMYBJX-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCn1cccn1 ZINC001088835544 750157693 /nfs/dbraw/zinc/15/76/93/750157693.db2.gz BVNAFOQPTDILPQ-ZBFHGGJFSA-N 1 3 319.453 0.804 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082314 750879242 /nfs/dbraw/zinc/87/92/42/750879242.db2.gz QDLFXQIEDJNNLL-INIZCTEOSA-N 1 3 308.470 0.711 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046082314 750879248 /nfs/dbraw/zinc/87/92/48/750879248.db2.gz QDLFXQIEDJNNLL-INIZCTEOSA-N 1 3 308.470 0.711 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1CC1 ZINC001127254410 750928525 /nfs/dbraw/zinc/92/85/25/750928525.db2.gz FHGIOMDXAXNKQZ-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CC1 ZINC001127254410 750928529 /nfs/dbraw/zinc/92/85/29/750928529.db2.gz FHGIOMDXAXNKQZ-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C)[C@H](C)C1)N(C)C ZINC001106673831 751223066 /nfs/dbraw/zinc/22/30/66/751223066.db2.gz NLNQCACTDMAJQT-MCIONIFRSA-N 1 3 312.458 0.099 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748870 752858123 /nfs/dbraw/zinc/85/81/23/752858123.db2.gz GCSQLAXNGWJIFB-OLZOCXBDSA-N 1 3 319.409 0.154 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCCC1 ZINC001044857413 752903547 /nfs/dbraw/zinc/90/35/47/752903547.db2.gz JFMLAWWTNSAGDZ-CVEARBPZSA-N 1 3 319.453 0.948 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)CCC[NH+](C)C ZINC001078085145 753028709 /nfs/dbraw/zinc/02/87/09/753028709.db2.gz YBOCIDXULHGBJV-LBPRGKRZSA-N 1 3 323.441 0.613 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001045067957 753031308 /nfs/dbraw/zinc/03/13/08/753031308.db2.gz WTGLTEXJVNKKJZ-DZGCQCFKSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CC3CC3)C2)C1 ZINC001078468596 753262705 /nfs/dbraw/zinc/26/27/05/753262705.db2.gz KBZZKTDRXVOPCG-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045789752 753332444 /nfs/dbraw/zinc/33/24/44/753332444.db2.gz PUFMJUSEOWZHRG-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045789752 753332447 /nfs/dbraw/zinc/33/24/47/753332447.db2.gz PUFMJUSEOWZHRG-OWCLPIDISA-N 1 3 309.454 0.918 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2)N1CCCC1 ZINC001078695414 753347074 /nfs/dbraw/zinc/34/70/74/753347074.db2.gz MATKJFMIYOZUHN-KGLIPLIRSA-N 1 3 309.454 0.870 20 0 DCADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2)N1CCCC1 ZINC001078695416 753347100 /nfs/dbraw/zinc/34/71/00/753347100.db2.gz MATKJFMIYOZUHN-ZIAGYGMSSA-N 1 3 309.454 0.870 20 0 DCADHO CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046493407 753749240 /nfs/dbraw/zinc/74/92/40/753749240.db2.gz VHYGFBQJBZTLBE-OGOZQZCJSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046493407 753749245 /nfs/dbraw/zinc/74/92/45/753749245.db2.gz VHYGFBQJBZTLBE-OGOZQZCJSA-N 1 3 307.438 0.840 20 0 DCADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046831219 753966651 /nfs/dbraw/zinc/96/66/51/753966651.db2.gz HSJXOJOKECJPGD-WMLDXEAASA-N 1 3 319.453 0.495 20 0 DCADHO Cn1nccc1CCN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046831219 753966656 /nfs/dbraw/zinc/96/66/56/753966656.db2.gz HSJXOJOKECJPGD-WMLDXEAASA-N 1 3 319.453 0.495 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001046831159 753966809 /nfs/dbraw/zinc/96/68/09/753966809.db2.gz GSUXWRTXZAMGPJ-HOCLYGCPSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(CCn3cccn3)C2)C1 ZINC001046831159 753966814 /nfs/dbraw/zinc/96/68/14/753966814.db2.gz GSUXWRTXZAMGPJ-HOCLYGCPSA-N 1 3 305.426 0.415 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1nc(C)no1 ZINC001168755726 754427062 /nfs/dbraw/zinc/42/70/62/754427062.db2.gz QZDGSBDQWFPHOY-UHFFFAOYSA-N 1 3 311.430 0.748 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168756471 754443503 /nfs/dbraw/zinc/44/35/03/754443503.db2.gz ZSJHFKBKWYXOCB-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063803 754598110 /nfs/dbraw/zinc/59/81/10/754598110.db2.gz GDFZHLYDNPFSDX-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1 ZINC001063851866 755273078 /nfs/dbraw/zinc/27/30/78/755273078.db2.gz JMNYKGKABVGEDM-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763871 755362542 /nfs/dbraw/zinc/36/25/42/755362542.db2.gz RUTJFKDBYBSPAK-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001079945257 756051329 /nfs/dbraw/zinc/05/13/29/756051329.db2.gz IENKZOHCPUKZNH-MRXNPFEDSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054737920 756621884 /nfs/dbraw/zinc/62/18/84/756621884.db2.gz PKCVMXVXBWYOIF-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1NCC(N)=O ZINC001054827724 756648478 /nfs/dbraw/zinc/64/84/78/756648478.db2.gz XUHSNUMEGKEKDR-TZMCWYRMSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1NCC(N)=O ZINC001054827724 756648484 /nfs/dbraw/zinc/64/84/84/756648484.db2.gz XUHSNUMEGKEKDR-TZMCWYRMSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]Cc1ccnn1C ZINC001082448643 757135876 /nfs/dbraw/zinc/13/58/76/757135876.db2.gz XTMZUCBSCIFDMQ-YUELXQCFSA-N 1 3 305.426 0.451 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001082448160 757135996 /nfs/dbraw/zinc/13/59/96/757135996.db2.gz GLAPWJOIXJRBFS-WQVCFCJDSA-N 1 3 319.453 0.759 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@H]1CCN(C)C1=O ZINC001082557548 757184687 /nfs/dbraw/zinc/18/46/87/757184687.db2.gz MVPCUYDBJIXJNM-HZSPNIEDSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCn1cccn1 ZINC001082559971 757186727 /nfs/dbraw/zinc/18/67/27/757186727.db2.gz VFCLHQOWFAVNLF-FVQBIDKESA-N 1 3 319.453 0.660 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001082743398 757254605 /nfs/dbraw/zinc/25/46/05/757254605.db2.gz YBGFKCUMTIUZBO-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082822252 757288699 /nfs/dbraw/zinc/28/86/99/757288699.db2.gz TZIUGNKVIMLGDD-RBSFLKMASA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccccn1 ZINC001082920098 757324418 /nfs/dbraw/zinc/32/44/18/757324418.db2.gz QLVOJKFWVDDGRL-IJEWVQPXSA-N 1 3 302.422 0.970 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccccn1 ZINC001082920098 757324426 /nfs/dbraw/zinc/32/44/26/757324426.db2.gz QLVOJKFWVDDGRL-IJEWVQPXSA-N 1 3 302.422 0.970 20 0 DCADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]2CN(CCO)C[C@H]21 ZINC001050104522 757370238 /nfs/dbraw/zinc/37/02/38/757370238.db2.gz ULGAQZLVKUDRDF-GVDBMIGSSA-N 1 3 321.465 0.776 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001050233006 757520304 /nfs/dbraw/zinc/52/03/04/757520304.db2.gz AAVXLHWHMFXYGG-GJZGRUSLSA-N 1 3 322.453 0.189 20 0 DCADHO CN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001050235793 757524888 /nfs/dbraw/zinc/52/48/88/757524888.db2.gz MDSFSHAVMCXZEB-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050662675 757941717 /nfs/dbraw/zinc/94/17/17/757941717.db2.gz MABJOTYOPQNIOB-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084851908 758083383 /nfs/dbraw/zinc/08/33/83/758083383.db2.gz XGLRHHHEJLEVRI-HZPDHXFCSA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O)N(C)C ZINC001051356347 758589884 /nfs/dbraw/zinc/58/98/84/758589884.db2.gz FOEZMZHXSPVWAS-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O)N(C)C ZINC001051356348 758590032 /nfs/dbraw/zinc/59/00/32/758590032.db2.gz FOEZMZHXSPVWAS-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC001099985373 759075864 /nfs/dbraw/zinc/07/58/64/759075864.db2.gz BTZATCMYEOCRRP-HUUCEWRRSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001051995338 759097577 /nfs/dbraw/zinc/09/75/77/759097577.db2.gz BUJZFHGUNPPWSJ-SJORKVTESA-N 1 3 322.497 0.955 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081458 759165630 /nfs/dbraw/zinc/16/56/30/759165630.db2.gz BQOPCXQLGQPLLM-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081458 759165638 /nfs/dbraw/zinc/16/56/38/759165638.db2.gz BQOPCXQLGQPLLM-DLBZAZTESA-N 1 3 322.497 0.957 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC001147822844 767852552 /nfs/dbraw/zinc/85/25/52/767852552.db2.gz BUFJHAQYCVPBRG-HUUCEWRRSA-N 1 3 307.442 0.746 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001147876967 767869569 /nfs/dbraw/zinc/86/95/69/767869569.db2.gz ASCBKTPGCMHFNO-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC1CCN(C(=O)CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001147876967 767869577 /nfs/dbraw/zinc/86/95/77/767869577.db2.gz ASCBKTPGCMHFNO-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)(C)N1CC[C@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977603 767891813 /nfs/dbraw/zinc/89/18/13/767891813.db2.gz TXJIETTUNSZSLZ-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086278251 759944675 /nfs/dbraw/zinc/94/46/75/759944675.db2.gz NUSXZPLVOXSQLS-OTVXOJSOSA-N 1 3 305.422 0.839 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086364708 760106645 /nfs/dbraw/zinc/10/66/45/760106645.db2.gz NZWGSDUIHHUACJ-AJNGGQMLSA-N 1 3 322.453 0.232 20 0 DCADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCCO)C2)CC(C)(C)C ZINC001148315132 767968758 /nfs/dbraw/zinc/96/87/58/767968758.db2.gz CKGCIZKKFJRUFH-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2)CC(C)(C)C ZINC001148315132 767968763 /nfs/dbraw/zinc/96/87/63/767968763.db2.gz CKGCIZKKFJRUFH-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001148655654 768025266 /nfs/dbraw/zinc/02/52/66/768025266.db2.gz QQJNAWZEUBBBOM-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)c1ccccc1F ZINC001148655601 768025302 /nfs/dbraw/zinc/02/53/02/768025302.db2.gz PDTJAWPZRWGCPK-OAHLLOKOSA-N 1 3 311.401 0.907 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1)C1CC1 ZINC001091738410 768026026 /nfs/dbraw/zinc/02/60/26/768026026.db2.gz XCVFCTWMLJDGNG-INMHGKMJSA-N 1 3 309.454 0.489 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1)C1CC1 ZINC001091738410 768026030 /nfs/dbraw/zinc/02/60/30/768026030.db2.gz XCVFCTWMLJDGNG-INMHGKMJSA-N 1 3 309.454 0.489 20 0 DCADHO CCN1CCN(c2ccc(C(=O)NC3(C[NH3+])COC3)cc2)CC1 ZINC001149010131 768065546 /nfs/dbraw/zinc/06/55/46/768065546.db2.gz CJLDEENDZHBMER-UHFFFAOYSA-N 1 3 318.421 0.286 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)n1 ZINC001129435258 762942291 /nfs/dbraw/zinc/94/22/91/762942291.db2.gz DEQRUKLXXUBVTG-AWEZNQCLSA-N 1 3 309.414 0.357 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535497 762961539 /nfs/dbraw/zinc/96/15/39/762961539.db2.gz VBUCBZOPTCJMHN-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCO[C@H]1CCOC1)N(C)C ZINC001129949681 763054700 /nfs/dbraw/zinc/05/47/00/763054700.db2.gz HMGXOWBYLJKVQK-GJZGRUSLSA-N 1 3 315.458 0.474 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(CO)cc1)N(C)C ZINC001129946970 763064739 /nfs/dbraw/zinc/06/47/39/763064739.db2.gz CFPPJNSBLGDGCK-INIZCTEOSA-N 1 3 307.438 0.971 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012265 763081888 /nfs/dbraw/zinc/08/18/88/763081888.db2.gz XLSRIWJSCZFJBJ-KGLIPLIRSA-N 1 3 322.457 0.617 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)C[C@H]2O)CCC1 ZINC001099872478 763090498 /nfs/dbraw/zinc/09/04/98/763090498.db2.gz UXIQLSOMEBVNPG-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)C[C@H]2O)CCC1 ZINC001099872478 763090508 /nfs/dbraw/zinc/09/05/08/763090508.db2.gz UXIQLSOMEBVNPG-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107610 763129088 /nfs/dbraw/zinc/12/90/88/763129088.db2.gz SEDGYOKDQBZMMP-CABCVRRESA-N 1 3 322.457 0.762 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170055 763160866 /nfs/dbraw/zinc/16/08/66/763160866.db2.gz OGYJFPLQSLNLBC-UHFFFAOYSA-N 1 3 319.453 0.810 20 0 DCADHO CC(C)=CCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073560 763282156 /nfs/dbraw/zinc/28/21/56/763282156.db2.gz DVXIYHNMRAWRIM-HUUCEWRRSA-N 1 3 313.442 0.082 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC001100408107 763557145 /nfs/dbraw/zinc/55/71/45/763557145.db2.gz VHNBFFZLXBWURW-VDSRIPIWSA-N 1 3 319.453 0.745 20 0 DCADHO Cc1cc(CNC2CC(CNC(=O)CC[NH+](C)C)C2)ncn1 ZINC001100637093 763694466 /nfs/dbraw/zinc/69/44/66/763694466.db2.gz BILKTUMFJBEIRX-UHFFFAOYSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001100647331 763701467 /nfs/dbraw/zinc/70/14/67/763701467.db2.gz OPGDWZIAMPCXAU-SSDMNJCBSA-N 1 3 312.458 0.145 20 0 DCADHO Cn1nncc1CNC1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890410 763843722 /nfs/dbraw/zinc/84/37/22/763843722.db2.gz ZGTGLSNZXCVNOR-UHFFFAOYSA-N 1 3 322.457 0.531 20 0 DCADHO O=C(NCC[NH2+]CC[C@@H]1CCCO1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519849 763844022 /nfs/dbraw/zinc/84/40/22/763844022.db2.gz LEKUTOMKOIMCIT-GWUWNPHMSA-N 1 3 323.437 0.125 20 0 DCADHO O=C(NCC[NH2+]CCOC1CCC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520102 763845645 /nfs/dbraw/zinc/84/56/45/763845645.db2.gz UGLBWVLTQMNHSW-GULBITTBSA-N 1 3 323.437 0.125 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001101036564 763930959 /nfs/dbraw/zinc/93/09/59/763930959.db2.gz TXDRQZFXDTYDSN-UHFFFAOYSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790425 764013522 /nfs/dbraw/zinc/01/35/22/764013522.db2.gz NGFULTSQQICVIT-INIZCTEOSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131790589 764013888 /nfs/dbraw/zinc/01/38/88/764013888.db2.gz QHNQMYGNMUMSFF-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790313 764014109 /nfs/dbraw/zinc/01/41/09/764014109.db2.gz LGCLLKMTIMBMBA-INIZCTEOSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)C1(CC(=O)NCCNCC(=O)NC2CC2)CCCC1 ZINC001131837056 764071455 /nfs/dbraw/zinc/07/14/55/764071455.db2.gz MRPUQZJNKWBXFU-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CCO)CC1 ZINC001101522193 764130705 /nfs/dbraw/zinc/13/07/05/764130705.db2.gz PMKRKIBTOUPRJH-OAHLLOKOSA-N 1 3 311.470 0.927 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CCO)CC1 ZINC001101522192 764130853 /nfs/dbraw/zinc/13/08/53/764130853.db2.gz PMKRKIBTOUPRJH-HNNXBMFYSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)(C[NH2+]CC(N)=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595553 764179473 /nfs/dbraw/zinc/17/94/73/764179473.db2.gz HVEOTAHDNHHODO-UHFFFAOYSA-N 1 3 324.469 0.422 20 0 DCADHO CCOCCN1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426030 764452597 /nfs/dbraw/zinc/45/25/97/764452597.db2.gz QWJFLRWRXPOCAE-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001132738425 764616910 /nfs/dbraw/zinc/61/69/10/764616910.db2.gz CMRANSAKLKGMAV-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001132738425 764616915 /nfs/dbraw/zinc/61/69/15/764616915.db2.gz CMRANSAKLKGMAV-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO COc1cc(CNCCNC(=O)C2CC[NH+](C)CC2)ccn1 ZINC001133285709 764905981 /nfs/dbraw/zinc/90/59/81/764905981.db2.gz FBYLTUAFRFQMMM-UHFFFAOYSA-N 1 3 306.410 0.638 20 0 DCADHO C[C@@H]1C[C@H](C)CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C1 ZINC001133291680 764910469 /nfs/dbraw/zinc/91/04/69/764910469.db2.gz VXSQUWJOLGVSQN-OKILXGFUSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090320 764940599 /nfs/dbraw/zinc/94/05/99/764940599.db2.gz RHVUVNQMANMXOR-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090320 764940606 /nfs/dbraw/zinc/94/06/06/764940606.db2.gz RHVUVNQMANMXOR-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103111775 764948344 /nfs/dbraw/zinc/94/83/44/764948344.db2.gz NZFRPNGUSNXHEK-NFAWXSAZSA-N 1 3 312.458 0.132 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCCCn1cncn1)N(C)C ZINC001133434464 764967490 /nfs/dbraw/zinc/96/74/90/764967490.db2.gz SEGNKMFKPZIMFF-OAHLLOKOSA-N 1 3 324.473 0.740 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccnc(N(C)C)c2)C1 ZINC001133854010 765173670 /nfs/dbraw/zinc/17/36/70/765173670.db2.gz VROQJZDUTJMZQK-AWEZNQCLSA-N 1 3 319.453 0.695 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]C[C@@H]2CCOC2)C1 ZINC001133856825 765182362 /nfs/dbraw/zinc/18/23/62/765182362.db2.gz RZMYMKUZASBTQQ-XJKSGUPXSA-N 1 3 315.433 0.941 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC001133866978 765192477 /nfs/dbraw/zinc/19/24/77/765192477.db2.gz QIASQGOHJQMCJS-TZMCWYRMSA-N 1 3 306.410 0.494 20 0 DCADHO COc1ccc(CNCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC001133866978 765192483 /nfs/dbraw/zinc/19/24/83/765192483.db2.gz QIASQGOHJQMCJS-TZMCWYRMSA-N 1 3 306.410 0.494 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133897099 765216503 /nfs/dbraw/zinc/21/65/03/765216503.db2.gz YWZSVQUMETXKKC-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968129 765260195 /nfs/dbraw/zinc/26/01/95/765260195.db2.gz OWKIKRZGBFIVES-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@@H](F)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020440 765290005 /nfs/dbraw/zinc/29/00/05/765290005.db2.gz AQGROSJOPHSBHK-ZIAGYGMSSA-N 1 3 303.422 0.941 20 0 DCADHO CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1nccn12 ZINC001092377767 768283134 /nfs/dbraw/zinc/28/31/34/768283134.db2.gz BUXSFLOFFHLQCT-ZIAGYGMSSA-N 1 3 317.437 0.959 20 0 DCADHO CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1nccn12 ZINC001092377767 768283136 /nfs/dbraw/zinc/28/31/36/768283136.db2.gz BUXSFLOFFHLQCT-ZIAGYGMSSA-N 1 3 317.437 0.959 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001159155761 765484428 /nfs/dbraw/zinc/48/44/28/765484428.db2.gz UDJPPCHWACMAPG-ZDUSSCGKSA-N 1 3 318.437 0.287 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001134370144 765502491 /nfs/dbraw/zinc/50/24/91/765502491.db2.gz XZGIYSDPEQLPHD-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)[NH2+]CC(N)=O ZINC001134370143 765502571 /nfs/dbraw/zinc/50/25/71/765502571.db2.gz XZGIYSDPEQLPHD-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001134766770 765662025 /nfs/dbraw/zinc/66/20/25/765662025.db2.gz LVPCRRSYFWPZCN-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001134772488 765665932 /nfs/dbraw/zinc/66/59/32/765665932.db2.gz DYQLVDYQBGCALR-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NC1CCCCC1 ZINC001124867779 768317269 /nfs/dbraw/zinc/31/72/69/768317269.db2.gz YYKLJCVFQAPVIE-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NC1CCCCC1 ZINC001124867776 768318072 /nfs/dbraw/zinc/31/80/72/768318072.db2.gz YYKLJCVFQAPVIE-HIFRSBDPSA-N 1 3 324.469 0.624 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCOC[C@H]1CCCCO1 ZINC001135513076 765966649 /nfs/dbraw/zinc/96/66/49/765966649.db2.gz GKMVVEUQQMPMLK-OAHLLOKOSA-N 1 3 315.458 0.620 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C=CCCC1 ZINC001117379359 766039816 /nfs/dbraw/zinc/03/98/16/766039816.db2.gz KPFHGSDAJAGNKJ-AWEZNQCLSA-N 1 3 310.442 0.163 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCOC ZINC001135743260 766085286 /nfs/dbraw/zinc/08/52/86/766085286.db2.gz HPMKRXGZBMANFU-GJZGRUSLSA-N 1 3 317.474 0.864 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NCc1ccn(C)n1 ZINC001135938591 766177159 /nfs/dbraw/zinc/17/71/59/766177159.db2.gz LULJZSLKJNOALF-KGLIPLIRSA-N 1 3 319.453 0.889 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119358961 766644485 /nfs/dbraw/zinc/64/44/85/766644485.db2.gz CSNFMMCAIMXFJL-AVGNSLFASA-N 1 3 310.442 0.077 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120440268 767016066 /nfs/dbraw/zinc/01/60/66/767016066.db2.gz MDTUNZUOBREUBO-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120440268 767016078 /nfs/dbraw/zinc/01/60/78/767016078.db2.gz MDTUNZUOBREUBO-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110115554 767065745 /nfs/dbraw/zinc/06/57/45/767065745.db2.gz XDGYQXFTOQXOHP-PMPSAXMXSA-N 1 3 309.454 0.966 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)N2CCOC[C@@H]2C[NH+](C)C)c1 ZINC001144935072 767261004 /nfs/dbraw/zinc/26/10/04/767261004.db2.gz AFTNIDJRJRYQGS-HOCLYGCPSA-N 1 3 321.421 0.354 20 0 DCADHO C[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1)C(N)=O ZINC001121245071 767478439 /nfs/dbraw/zinc/47/84/39/767478439.db2.gz DCSVIFQBUUVJHS-CGJIDXORSA-N 1 3 322.453 0.217 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N1CCCCC1 ZINC001146710723 767509770 /nfs/dbraw/zinc/50/97/70/767509770.db2.gz LWNJUCZOLQBOOV-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N1CCCCC1 ZINC001146710723 767509773 /nfs/dbraw/zinc/50/97/73/767509773.db2.gz LWNJUCZOLQBOOV-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO COCC[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001121772473 767634653 /nfs/dbraw/zinc/63/46/53/767634653.db2.gz BBJUGIZKWJBZMV-DPGVGJJJSA-N 1 3 309.454 0.992 20 0 DCADHO COc1ccccc1[C@H](CNC(=O)CNCC[NH3+])N1CCCC1 ZINC001121973847 767685122 /nfs/dbraw/zinc/68/51/22/767685122.db2.gz CPECPKJOGHBYGS-HNNXBMFYSA-N 1 3 320.437 0.497 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(=O)NC)C2 ZINC001122106878 767716263 /nfs/dbraw/zinc/71/62/63/767716263.db2.gz UBFGLLBQGJRFLS-VZHDMLGISA-N 1 3 324.469 0.480 20 0 DCADHO C[NH2+]CCCCC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC001122186189 767735238 /nfs/dbraw/zinc/73/52/38/767735238.db2.gz MYDQYCQVXBEEQZ-UHFFFAOYSA-N 1 3 316.409 0.732 20 0 DCADHO CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@@H]2C(C)C)C[C@H]1O ZINC001093466441 768571926 /nfs/dbraw/zinc/57/19/26/768571926.db2.gz NORCJOQMPGAOJF-MUIFIZLQSA-N 1 3 320.437 0.938 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(CCCO)CCCO1)[NH+](C)C ZINC001149880969 768897163 /nfs/dbraw/zinc/89/71/63/768897163.db2.gz ACMCPWAJBFRKCD-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)OC)CCCO1 ZINC001150480258 769106550 /nfs/dbraw/zinc/10/65/50/769106550.db2.gz JHLABTQZNJVQRA-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)OC)CCCO1 ZINC001150480258 769106558 /nfs/dbraw/zinc/10/65/58/769106558.db2.gz JHLABTQZNJVQRA-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN([C@@H](C)COC)CCCO1 ZINC001150546365 769120583 /nfs/dbraw/zinc/12/05/83/769120583.db2.gz DMGYUOOYUGQONI-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN([C@@H](C)COC)CCCO1 ZINC001150546365 769120588 /nfs/dbraw/zinc/12/05/88/769120588.db2.gz DMGYUOOYUGQONI-GJZGRUSLSA-N 1 3 315.458 0.570 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150777011 769184979 /nfs/dbraw/zinc/18/49/79/769184979.db2.gz BYTRWBHGJZIKAZ-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO CO[C@@H](C)C[N@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150777011 769184985 /nfs/dbraw/zinc/18/49/85/769184985.db2.gz BYTRWBHGJZIKAZ-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1CN(CCO)CCCO1 ZINC001150780176 769185320 /nfs/dbraw/zinc/18/53/20/769185320.db2.gz ZRKCDGZACQXWIA-HNNXBMFYSA-N 1 3 313.442 0.062 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCc2cccs2)C1 ZINC001151065661 769251270 /nfs/dbraw/zinc/25/12/70/769251270.db2.gz MDPCEUYVOKRVRR-LBPRGKRZSA-N 1 3 324.450 0.022 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCc2cccs2)C1 ZINC001151065661 769251274 /nfs/dbraw/zinc/25/12/74/769251274.db2.gz MDPCEUYVOKRVRR-LBPRGKRZSA-N 1 3 324.450 0.022 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072952 769251938 /nfs/dbraw/zinc/25/19/38/769251938.db2.gz BCMKCTJNCLOIHF-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072952 769251945 /nfs/dbraw/zinc/25/19/45/769251945.db2.gz BCMKCTJNCLOIHF-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO CC1CCC(NC(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001151074375 769252866 /nfs/dbraw/zinc/25/28/66/769252866.db2.gz XIIKCOAKWJYSSF-SHARSMKWSA-N 1 3 324.469 0.339 20 0 DCADHO CC1CCC(NC(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151074375 769252869 /nfs/dbraw/zinc/25/28/69/769252869.db2.gz XIIKCOAKWJYSSF-SHARSMKWSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001151159851 769278770 /nfs/dbraw/zinc/27/87/70/769278770.db2.gz URRCBEQUJXBAEJ-LBPRGKRZSA-N 1 3 310.398 0.157 20 0 DCADHO C[C@H](NCCNC(=O)CCC[NH+]1CCCCC1)C(=O)N(C)C ZINC001151361436 769320987 /nfs/dbraw/zinc/32/09/87/769320987.db2.gz GKUVBUCOYMWHQO-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001171762567 769369812 /nfs/dbraw/zinc/36/98/12/769369812.db2.gz GIAWDAALDOLLQD-ZDUSSCGKSA-N 1 3 308.430 0.203 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCc1cnn(CC)c1 ZINC001171762620 769370370 /nfs/dbraw/zinc/37/03/70/769370370.db2.gz IIRNQNYARAQFMZ-UHFFFAOYSA-N 1 3 309.458 0.883 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001171762566 769370879 /nfs/dbraw/zinc/37/08/79/769370879.db2.gz GIAWDAALDOLLQD-CYBMUJFWSA-N 1 3 308.430 0.203 20 0 DCADHO COCCC[NH+]1CCC(N2CC[C@H](N3CCOCC3)C2)CC1 ZINC001172255719 769466971 /nfs/dbraw/zinc/46/69/71/769466971.db2.gz LPKICGYOFAOJFL-KRWDZBQOSA-N 1 3 311.470 0.894 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001152138742 769490028 /nfs/dbraw/zinc/49/00/28/769490028.db2.gz YJIBNBUQQVCANA-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)C[C@@H]1C(=O)OC ZINC001173564342 769656412 /nfs/dbraw/zinc/65/64/12/769656412.db2.gz TVUFVTXMEOYINK-ZSOGYDGISA-N 1 3 312.410 0.803 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](NCc2ccccc2C[NH3+])C[C@@H]1C(=O)OC ZINC001173583128 769680482 /nfs/dbraw/zinc/68/04/82/769680482.db2.gz QNQWZFFGJFWYFE-QKDCVEJESA-N 1 3 320.389 0.976 20 0 DCADHO O=C1CCC[C@]2(C[NH2+]CCN(Cc3ccc4n3CCNC4)C2)N1 ZINC001235177583 769772853 /nfs/dbraw/zinc/77/28/53/769772853.db2.gz QXPFLZIBDHJHLV-QGZVFWFLSA-N 1 3 317.437 0.035 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001174683680 769777980 /nfs/dbraw/zinc/77/79/80/769777980.db2.gz UCOXAMXCIGIIHQ-UHFFFAOYSA-N 1 3 317.393 0.255 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCOCC(F)(F)F ZINC001174691427 769779869 /nfs/dbraw/zinc/77/98/69/769779869.db2.gz LQRWDVZRZCWGQN-UHFFFAOYSA-N 1 3 322.331 0.935 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(Cc1ccc3n1CCNC3)CC2 ZINC001237062586 770031086 /nfs/dbraw/zinc/03/10/86/770031086.db2.gz NOHIYLGPVMHECD-NVXWUHKLSA-N 1 3 318.421 0.318 20 0 DCADHO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2C[C@@H]2COCCN2)c1 ZINC001237435459 770040816 /nfs/dbraw/zinc/04/08/16/770040816.db2.gz HRJCTUGIVCZZAF-CVEARBPZSA-N 1 3 319.405 0.408 20 0 DCADHO C[NH+](C)CCCOc1ccc(NS(=O)(=O)CCN)cc1 ZINC001237596387 770059478 /nfs/dbraw/zinc/05/94/78/770059478.db2.gz HJOMBMURIPOSSA-UHFFFAOYSA-N 1 3 301.412 0.718 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](O)COC ZINC001176284748 770061698 /nfs/dbraw/zinc/06/16/98/770061698.db2.gz JSHPDIVDHGUXNA-HUUCEWRRSA-N 1 3 317.474 0.600 20 0 DCADHO CN1CCN(Cc2ccc(NS(=O)(=O)CC[NH3+])cc2)CC1 ZINC001237616833 770068724 /nfs/dbraw/zinc/06/87/24/770068724.db2.gz PPGGBCFTQFMOBN-UHFFFAOYSA-N 1 3 312.439 0.134 20 0 DCADHO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238229701 770107247 /nfs/dbraw/zinc/10/72/47/770107247.db2.gz PWEYJRMSUZJYLE-OAHLLOKOSA-N 1 3 323.462 0.980 20 0 DCADHO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238229701 770107251 /nfs/dbraw/zinc/10/72/51/770107251.db2.gz PWEYJRMSUZJYLE-OAHLLOKOSA-N 1 3 323.462 0.980 20 0 DCADHO Cc1nnc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001176563325 770125946 /nfs/dbraw/zinc/12/59/46/770125946.db2.gz CKLLSVRVWIDNSY-TZMCWYRMSA-N 1 3 322.457 0.829 20 0 DCADHO Cc1nnc(CNCCCC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001176563325 770125948 /nfs/dbraw/zinc/12/59/48/770125948.db2.gz CKLLSVRVWIDNSY-TZMCWYRMSA-N 1 3 322.457 0.829 20 0 DCADHO COc1cc(S(=O)(=O)NCCC[NH2+]CCCN)ccc1F ZINC001238879103 770139733 /nfs/dbraw/zinc/13/97/33/770139733.db2.gz OWSWFXLTXWDELM-UHFFFAOYSA-N 1 3 319.402 0.441 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)CCc1ccccc1F ZINC001238878810 770139999 /nfs/dbraw/zinc/13/99/99/770139999.db2.gz LZVLLTLLXYRHJZ-UHFFFAOYSA-N 1 3 317.430 0.616 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC001238878516 770140187 /nfs/dbraw/zinc/14/01/87/770140187.db2.gz HLUDBLSOTYRPKZ-UHFFFAOYSA-N 1 3 313.423 0.228 20 0 DCADHO NCCS(=O)(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001239027459 770168421 /nfs/dbraw/zinc/16/84/21/770168421.db2.gz CFVDVGAZKNCBTO-SECBINFHSA-N 1 3 315.361 0.424 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001176753619 770168593 /nfs/dbraw/zinc/16/85/93/770168593.db2.gz IZRPBNHRJFVTMC-OLZOCXBDSA-N 1 3 300.447 0.465 20 0 DCADHO NCCS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001239068278 770173254 /nfs/dbraw/zinc/17/32/54/770173254.db2.gz BDHUMPIUDMWITB-HOTGVXAUSA-N 1 3 323.462 0.528 20 0 DCADHO Cn1ccc(CNCCCNC(=O)CCC[NH+]2CCCC2)n1 ZINC001176884488 770209159 /nfs/dbraw/zinc/20/91/59/770209159.db2.gz KAKARXUGXVCQCC-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCNCc1nccn1C ZINC001176844848 770213830 /nfs/dbraw/zinc/21/38/30/770213830.db2.gz OCJJJMCIHRXSJD-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCc1ccnn1C ZINC001176986265 770272185 /nfs/dbraw/zinc/27/21/85/770272185.db2.gz JBTCQGRLKCOZFI-INIZCTEOSA-N 1 3 321.469 0.933 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986468 770273120 /nfs/dbraw/zinc/27/31/20/770273120.db2.gz PEGJOASPJOYTCJ-CQSZACIVSA-N 1 3 314.474 0.679 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001206653478 770420432 /nfs/dbraw/zinc/42/04/32/770420432.db2.gz GFINZQIHCDVJQE-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO c1cc(N[C@H]2COCCC23C[NH2+]C3)nc(N2CCOCC2)c1 ZINC001155470129 770512933 /nfs/dbraw/zinc/51/29/33/770512933.db2.gz RMGYMJMGEXFURA-ZDUSSCGKSA-N 1 3 304.394 0.709 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791788 770621160 /nfs/dbraw/zinc/62/11/60/770621160.db2.gz YKWHMPOULGWMKL-CYBMUJFWSA-N 1 3 308.430 0.297 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)CCOCCOC ZINC001156531079 770849126 /nfs/dbraw/zinc/84/91/26/770849126.db2.gz WIPPRLRGDLXIDR-OAHLLOKOSA-N 1 3 317.474 0.818 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCOCCOC ZINC001156531079 770849141 /nfs/dbraw/zinc/84/91/41/770849141.db2.gz WIPPRLRGDLXIDR-OAHLLOKOSA-N 1 3 317.474 0.818 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H]1C)N(C)C ZINC001178985444 770922155 /nfs/dbraw/zinc/92/21/55/770922155.db2.gz JUCHWNQDHNYUGE-AEGPPILISA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(=O)NC1CC1 ZINC001179439608 771006298 /nfs/dbraw/zinc/00/62/98/771006298.db2.gz SUHJYKOCMBIPQD-IPYPFGDCSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179968104 771048549 /nfs/dbraw/zinc/04/85/49/771048549.db2.gz MJQBRRGPFGRCRO-RDBSUJKOSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@@H]1C ZINC001180226725 771077959 /nfs/dbraw/zinc/07/79/59/771077959.db2.gz IWJICVGZLQHBGU-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCc1nocc1C[NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151160923 771467357 /nfs/dbraw/zinc/46/73/57/771467357.db2.gz ZZACHLDMSCIPDS-ZDUSSCGKSA-N 1 3 324.425 0.411 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473293 771497346 /nfs/dbraw/zinc/49/73/46/771497346.db2.gz PEWBTCCHIUQZLT-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473293 771497347 /nfs/dbraw/zinc/49/73/47/771497347.db2.gz PEWBTCCHIUQZLT-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H]([NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001182740886 771546039 /nfs/dbraw/zinc/54/60/39/771546039.db2.gz GXMWBXHQNQLIFM-AXAPSJFSSA-N 1 3 321.425 0.290 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)CC)C1 ZINC001183040861 771596212 /nfs/dbraw/zinc/59/62/12/771596212.db2.gz ZJUGKCVFUUIIJA-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N(C)CC)C1 ZINC001183040861 771596215 /nfs/dbraw/zinc/59/62/15/771596215.db2.gz ZJUGKCVFUUIIJA-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC001157448679 771611015 /nfs/dbraw/zinc/61/10/15/771611015.db2.gz FRVMBKQVHOJONC-VIFPVBQESA-N 1 3 307.341 0.242 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183229025 771622675 /nfs/dbraw/zinc/62/26/75/771622675.db2.gz AQJBZUHMDFKQKS-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001157716155 771657899 /nfs/dbraw/zinc/65/78/99/771657899.db2.gz LNIMPCYZALMYDV-WFASDCNBSA-N 1 3 317.405 0.596 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183582415 771670823 /nfs/dbraw/zinc/67/08/23/771670823.db2.gz YNVQETVZLBFYDV-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCNCc1ccn(C)n1 ZINC001157887713 771686943 /nfs/dbraw/zinc/68/69/43/771686943.db2.gz XPQPPKGTFIOCNO-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCCNCc1ccn(C)n1 ZINC001157887713 771686947 /nfs/dbraw/zinc/68/69/47/771686947.db2.gz XPQPPKGTFIOCNO-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CC1(C)CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)[C@@](C)(CO)C1 ZINC001157927202 771695360 /nfs/dbraw/zinc/69/53/60/771695360.db2.gz VIJSMXADOOKCQV-CZUORRHYSA-N 1 3 309.454 0.870 20 0 DCADHO CC1(C)CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)[C@@](C)(CO)C1 ZINC001157927202 771695361 /nfs/dbraw/zinc/69/53/61/771695361.db2.gz VIJSMXADOOKCQV-CZUORRHYSA-N 1 3 309.454 0.870 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N(C[C@@H](O)CO)C(C)(C)C ZINC001158013087 771711847 /nfs/dbraw/zinc/71/18/47/771711847.db2.gz BWNZSIQDTNRLIU-OLZOCXBDSA-N 1 3 303.447 0.026 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197226 771738732 /nfs/dbraw/zinc/73/87/32/771738732.db2.gz UCSAKWJVIMJYFZ-AWEZNQCLSA-N 1 3 306.410 0.921 20 0 DCADHO C[C@H](NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cnccn1 ZINC001158428300 771773589 /nfs/dbraw/zinc/77/35/89/771773589.db2.gz CBNNMZQZANYGSQ-BFHYXJOUSA-N 1 3 305.426 0.974 20 0 DCADHO C[C@H](NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cnccn1 ZINC001158428300 771773592 /nfs/dbraw/zinc/77/35/92/771773592.db2.gz CBNNMZQZANYGSQ-BFHYXJOUSA-N 1 3 305.426 0.974 20 0 DCADHO CCOC(=O)C1CC[NH+](C2CCN(C(=O)C3(N)CC3)CC2)CC1 ZINC001158512860 771785240 /nfs/dbraw/zinc/78/52/40/771785240.db2.gz CLBMJRCCELUBLG-UHFFFAOYSA-N 1 3 323.437 0.744 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001185085132 771858744 /nfs/dbraw/zinc/85/87/44/771858744.db2.gz LXZXFHPSIKLXRT-GXTWGEPZSA-N 1 3 322.457 0.639 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C2)CC1 ZINC001185361452 771905180 /nfs/dbraw/zinc/90/51/80/771905180.db2.gz YPFOROMVRMEXJY-LSDHHAIUSA-N 1 3 324.469 0.278 20 0 DCADHO CCCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400735 771911755 /nfs/dbraw/zinc/91/17/55/771911755.db2.gz GPLNJYORAAJSLN-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185447298 771921286 /nfs/dbraw/zinc/92/12/86/771921286.db2.gz ZNUPSSVBHHQYQH-UKRRQHHQSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)[C@@H](N)CCC[NH3+])O2)n1 ZINC001159514699 771922677 /nfs/dbraw/zinc/92/26/77/771922677.db2.gz IOHULIWUEGNORT-LOWDOPEQSA-N 1 3 323.397 0.265 20 0 DCADHO CC[C@H]1N(C(=O)[C@H](N)C2CC[NH2+]CC2)CCC[C@]12CCC(=O)N2 ZINC001159585890 771930505 /nfs/dbraw/zinc/93/05/05/771930505.db2.gz UVAKDZAGVYYSLO-UNEWFSDZSA-N 1 3 322.453 0.363 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185660007 771941550 /nfs/dbraw/zinc/94/15/50/771941550.db2.gz VGBRMTYRNFBEKT-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185660007 771941554 /nfs/dbraw/zinc/94/15/54/771941554.db2.gz VGBRMTYRNFBEKT-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1)N(C)C ZINC001185715407 771948793 /nfs/dbraw/zinc/94/87/93/771948793.db2.gz FIGXDLFLZMBICS-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001185723871 771950172 /nfs/dbraw/zinc/95/01/72/771950172.db2.gz QNBDEHALEQKGHC-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO N[C@@H](CCC[NH3+])NC(F)(F)c1nc2[nH]cnc2c(Cl)n1 ZINC001159786494 771958133 /nfs/dbraw/zinc/95/81/33/771958133.db2.gz BMEMUTMRIPVWSS-RXMQYKEDSA-N 1 3 305.720 0.621 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)N(C)C2CC2)CCC1 ZINC001159853422 771968343 /nfs/dbraw/zinc/96/83/43/771968343.db2.gz DQSDALZFMLSXKJ-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO COc1nccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)n1 ZINC001159853183 771968432 /nfs/dbraw/zinc/96/84/32/771968432.db2.gz AFCCSZDFFWTNLI-UHFFFAOYSA-N 1 3 321.425 0.565 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001185926337 771976790 /nfs/dbraw/zinc/97/67/90/771976790.db2.gz SMFCFITUFAGYCJ-UONOGXRCSA-N 1 3 306.410 0.959 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCOCC(F)(F)F)C1 ZINC001185925413 771976962 /nfs/dbraw/zinc/97/69/62/771976962.db2.gz NNDFWAWJTRXIDM-SNVBAGLBSA-N 1 3 320.315 0.722 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C ZINC001160426780 772035660 /nfs/dbraw/zinc/03/56/60/772035660.db2.gz JOYBTGIWMHIXJC-JSGCOSHPSA-N 1 3 312.458 0.336 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001186496335 772046469 /nfs/dbraw/zinc/04/64/69/772046469.db2.gz FGZKQFVCHVZJPQ-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC001186458149 772047674 /nfs/dbraw/zinc/04/76/74/772047674.db2.gz FFEFIOZGALJBNJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001160484182 772047990 /nfs/dbraw/zinc/04/79/90/772047990.db2.gz ZTYGYEAIUZLTHH-CYBMUJFWSA-N 1 3 313.446 0.095 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@H](c2ccccc2)C1 ZINC001160529985 772059447 /nfs/dbraw/zinc/05/94/47/772059447.db2.gz DHZLUIVQMMHYIU-CABCVRRESA-N 1 3 301.390 0.396 20 0 DCADHO O=C(N1CCC[C@@H]1Cc1ccccn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160546196 772062957 /nfs/dbraw/zinc/06/29/57/772062957.db2.gz WFNAGXOSENENEV-QGPMSJSTSA-N 1 3 314.433 0.814 20 0 DCADHO Cc1nc([C@H]2CCCCN2C(=O)[C@@H]2C[NH2+]CC23CNC3)no1 ZINC001160549700 772063712 /nfs/dbraw/zinc/06/37/12/772063712.db2.gz VNQXHFBDCVMRSS-NWDGAFQWSA-N 1 3 305.382 0.241 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN(CCF)CC1 ZINC001160628269 772080291 /nfs/dbraw/zinc/08/02/91/772080291.db2.gz BFLYXCDIMKVDQJ-AWEZNQCLSA-N 1 3 302.438 0.596 20 0 DCADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001160637122 772082361 /nfs/dbraw/zinc/08/23/61/772082361.db2.gz RNOSMKWQWCBFRJ-XJKSGUPXSA-N 1 3 323.437 0.662 20 0 DCADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001160637122 772082365 /nfs/dbraw/zinc/08/23/65/772082365.db2.gz RNOSMKWQWCBFRJ-XJKSGUPXSA-N 1 3 323.437 0.662 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CCCC2)C1 ZINC001186825069 772096206 /nfs/dbraw/zinc/09/62/06/772096206.db2.gz XXYSNTDMMNLATP-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CCCC2)C1 ZINC001186825069 772096212 /nfs/dbraw/zinc/09/62/12/772096212.db2.gz XXYSNTDMMNLATP-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCc1noc([C@@H]2CCCN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)n1 ZINC001160741019 772104606 /nfs/dbraw/zinc/10/46/06/772104606.db2.gz DYPZGGSKDNZZMX-OCCSQVGLSA-N 1 3 321.425 0.665 20 0 DCADHO C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H](N)Cc1cccc(O)c1 ZINC001160837094 772118890 /nfs/dbraw/zinc/11/88/90/772118890.db2.gz BGZRHJSSFZNFBL-ZFWWWQNUSA-N 1 3 307.394 0.051 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC001160893681 772133758 /nfs/dbraw/zinc/13/37/58/772133758.db2.gz IIINKRRFJWYZMA-LBPRGKRZSA-N 1 3 316.409 0.278 20 0 DCADHO CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001161009223 772148610 /nfs/dbraw/zinc/14/86/10/772148610.db2.gz BCXQBTFHRNMMSA-QWHCGFSZSA-N 1 3 323.437 0.518 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001187321599 772164992 /nfs/dbraw/zinc/16/49/92/772164992.db2.gz GAGVKFXFWNKKRP-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCOC(=O)C1(CC)CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161131941 772172417 /nfs/dbraw/zinc/17/24/17/772172417.db2.gz TXAAYDZAYAKQLI-CYBMUJFWSA-N 1 3 323.437 0.377 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])C(=O)c1ccc2c(n1)CCNC2 ZINC001161158369 772178042 /nfs/dbraw/zinc/17/80/42/772178042.db2.gz GJGNFALUKOJLHZ-UHFFFAOYSA-N 1 3 320.393 0.081 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])C(=O)c1ccc2c(c1)CNC2 ZINC001161158964 772178876 /nfs/dbraw/zinc/17/88/76/772178876.db2.gz RQCPSNDMMVOSAW-UHFFFAOYSA-N 1 3 305.378 0.644 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3cncn3C)C[C@H]2C1 ZINC001161175652 772181071 /nfs/dbraw/zinc/18/10/71/772181071.db2.gz MZPMQXFUSQILEI-GUTXKFCHSA-N 1 3 305.426 0.090 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3cncn3C)C[C@H]2C1 ZINC001161175652 772181075 /nfs/dbraw/zinc/18/10/75/772181075.db2.gz MZPMQXFUSQILEI-GUTXKFCHSA-N 1 3 305.426 0.090 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161234657 772188017 /nfs/dbraw/zinc/18/80/17/772188017.db2.gz FTFZRINWHVUYFO-KBPBESRZSA-N 1 3 308.430 0.501 20 0 DCADHO Cc1cccc(N(C(=O)[C@@H]2CNCCN2)C2CC[NH2+]CC2)n1 ZINC001161303286 772199574 /nfs/dbraw/zinc/19/95/74/772199574.db2.gz WIDTYAFFYOVTBW-AWEZNQCLSA-N 1 3 303.410 0.036 20 0 DCADHO Cc1cnccc1O[C@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C1 ZINC001161386312 772215590 /nfs/dbraw/zinc/21/55/90/772215590.db2.gz HZGQBGXEEVEGIX-CFAJVAMVSA-N 1 3 316.405 0.592 20 0 DCADHO COc1cc(O[C@H]2CCN(C(=O)[C@@H](N)CCC[NH3+])C2)ccn1 ZINC001161394501 772216466 /nfs/dbraw/zinc/21/64/66/772216466.db2.gz NCHZGIUPNSUWTL-STQMWFEESA-N 1 3 308.382 0.136 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC(C)(C)C)C2)C1 ZINC001187825217 772226271 /nfs/dbraw/zinc/22/62/71/772226271.db2.gz GLEYBDZXEINRIN-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC(C)(C)C)C2)C1 ZINC001187825217 772226272 /nfs/dbraw/zinc/22/62/72/772226272.db2.gz GLEYBDZXEINRIN-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)N(C)C ZINC001188106822 772267320 /nfs/dbraw/zinc/26/73/20/772267320.db2.gz XUGALFJSOHZANC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001188346466 772290756 /nfs/dbraw/zinc/29/07/56/772290756.db2.gz POSVBTVNGHCUGO-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CN1CCCC[C@@H]1c1ccc(N(CC[NH3+])S(C)(=O)=O)nc1 ZINC001162127270 772330048 /nfs/dbraw/zinc/33/00/48/772330048.db2.gz TVGUHGLONQFACF-CYBMUJFWSA-N 1 3 312.439 0.963 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001189646319 772505135 /nfs/dbraw/zinc/50/51/35/772505135.db2.gz NBLSFSZKZNDKOG-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001189646319 772505138 /nfs/dbraw/zinc/50/51/38/772505138.db2.gz NBLSFSZKZNDKOG-JKSUJKDBSA-N 1 3 319.453 0.758 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163820142 772577307 /nfs/dbraw/zinc/57/73/07/772577307.db2.gz CHFFXAAHRZNYCP-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCOCCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190222003 772603168 /nfs/dbraw/zinc/60/31/68/772603168.db2.gz WLELSKHWSOLMAR-HZPDHXFCSA-N 1 3 309.454 0.897 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001190443533 772625745 /nfs/dbraw/zinc/62/57/45/772625745.db2.gz IPZPKIISYRJNQN-KGLIPLIRSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001190443533 772625749 /nfs/dbraw/zinc/62/57/49/772625749.db2.gz IPZPKIISYRJNQN-KGLIPLIRSA-N 1 3 303.422 0.581 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CN(C(C)C)CCO2)no1 ZINC001164539328 772676811 /nfs/dbraw/zinc/67/68/11/772676811.db2.gz YMHCALPOOLIANP-HNNXBMFYSA-N 1 3 324.425 0.688 20 0 DCADHO CC(C)(C)N1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001165089098 772693981 /nfs/dbraw/zinc/69/39/81/772693981.db2.gz VVRLUQUPCCATGA-UHFFFAOYSA-N 1 3 304.442 0.807 20 0 DCADHO COC(=O)[C@H]1C[C@H]([NH3+])CN1c1ccc(CN(C)C2CC2)cn1 ZINC001165129031 772698970 /nfs/dbraw/zinc/69/89/70/772698970.db2.gz SXGDQYWJGRQCGV-GXTWGEPZSA-N 1 3 304.394 0.755 20 0 DCADHO COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191432061 772767981 /nfs/dbraw/zinc/76/79/81/772767981.db2.gz YPDSSJJROPNAOP-GYMHETDLSA-N 1 3 323.437 0.029 20 0 DCADHO COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191432061 772767987 /nfs/dbraw/zinc/76/79/87/772767987.db2.gz YPDSSJJROPNAOP-GYMHETDLSA-N 1 3 323.437 0.029 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C ZINC001166010173 772778647 /nfs/dbraw/zinc/77/86/47/772778647.db2.gz JOYBTGIWMHIXJC-GXTWGEPZSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1)N(C)C ZINC001166010174 772778824 /nfs/dbraw/zinc/77/88/24/772778824.db2.gz JOYBTGIWMHIXJC-TZMCWYRMSA-N 1 3 312.458 0.336 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001166626411 772830514 /nfs/dbraw/zinc/83/05/14/772830514.db2.gz FWUUEABAGZVAPQ-CQSZACIVSA-N 1 3 307.442 0.983 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001166626411 772830518 /nfs/dbraw/zinc/83/05/18/772830518.db2.gz FWUUEABAGZVAPQ-CQSZACIVSA-N 1 3 307.442 0.983 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001166634470 772831999 /nfs/dbraw/zinc/83/19/99/772831999.db2.gz SXNDYJPNGJPXQH-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166634935 772832908 /nfs/dbraw/zinc/83/29/08/772832908.db2.gz ZBJAIDBYAMFEBN-AWEZNQCLSA-N 1 3 307.442 0.983 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166634935 772832913 /nfs/dbraw/zinc/83/29/13/772832913.db2.gz ZBJAIDBYAMFEBN-AWEZNQCLSA-N 1 3 307.442 0.983 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1cnccn1 ZINC001166676929 772838705 /nfs/dbraw/zinc/83/87/05/772838705.db2.gz DZEIECQBCLCADD-ZIAGYGMSSA-N 1 3 305.426 0.975 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001166678561 772839435 /nfs/dbraw/zinc/83/94/35/772839435.db2.gz WISUFENLYCFMTA-GJZGRUSLSA-N 1 3 324.469 0.340 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC001166695027 772842755 /nfs/dbraw/zinc/84/27/55/772842755.db2.gz ZOELFASQWFBSCX-SWLSCSKDSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC001166695027 772842758 /nfs/dbraw/zinc/84/27/58/772842758.db2.gz ZOELFASQWFBSCX-SWLSCSKDSA-N 1 3 305.426 0.579 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001192190459 772882439 /nfs/dbraw/zinc/88/24/39/772882439.db2.gz QDLKAIXLIUBRHZ-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001192190459 772882440 /nfs/dbraw/zinc/88/24/40/772882440.db2.gz QDLKAIXLIUBRHZ-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203520687 772910890 /nfs/dbraw/zinc/91/08/90/772910890.db2.gz HFLXVIDWJCQWJY-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714979 772920930 /nfs/dbraw/zinc/92/09/30/772920930.db2.gz WKCHGABRJHRSJZ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001203925470 772929867 /nfs/dbraw/zinc/92/98/67/772929867.db2.gz OUUUNJULJRHXMD-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204799432 772962614 /nfs/dbraw/zinc/96/26/14/772962614.db2.gz WWYIJVOXJCPUMI-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1 ZINC001192970399 772989574 /nfs/dbraw/zinc/98/95/74/772989574.db2.gz SXSOEHCJIFLXME-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC001192970399 772989576 /nfs/dbraw/zinc/98/95/76/772989576.db2.gz SXSOEHCJIFLXME-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001206275563 773061394 /nfs/dbraw/zinc/06/13/94/773061394.db2.gz VDSJKKAGFGOCSY-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C[C@H](O)COC)CC1 ZINC001206890359 773121801 /nfs/dbraw/zinc/12/18/01/773121801.db2.gz NWXVCQMBGUCBDF-HNNXBMFYSA-N 1 3 315.458 0.164 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929099 773137375 /nfs/dbraw/zinc/13/73/75/773137375.db2.gz UKDXAXIKODTQHA-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO COCCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002734 773137539 /nfs/dbraw/zinc/13/75/39/773137539.db2.gz YETRRZSXTPCUIL-CABCVRRESA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002734 773137541 /nfs/dbraw/zinc/13/75/41/773137541.db2.gz YETRRZSXTPCUIL-CABCVRRESA-N 1 3 313.442 0.134 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001206952280 773146424 /nfs/dbraw/zinc/14/64/24/773146424.db2.gz HVCLMQCKYAGLSH-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208014155 773372425 /nfs/dbraw/zinc/37/24/25/773372425.db2.gz NAVPYFGWVUPZTH-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208014155 773372435 /nfs/dbraw/zinc/37/24/35/773372435.db2.gz NAVPYFGWVUPZTH-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063482 773391785 /nfs/dbraw/zinc/39/17/85/773391785.db2.gz OEJCZIZZMDWDRO-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)CCC1 ZINC001208328825 773433769 /nfs/dbraw/zinc/43/37/69/773433769.db2.gz IRAJQKMOMLWDMX-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331047 773435917 /nfs/dbraw/zinc/43/59/17/773435917.db2.gz JVPPUEXWPWRUDB-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208331047 773435920 /nfs/dbraw/zinc/43/59/20/773435920.db2.gz JVPPUEXWPWRUDB-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC)C2)C1 ZINC001209206351 773569666 /nfs/dbraw/zinc/56/96/66/773569666.db2.gz ZXCXREPIFOBFDS-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC)C2)C1 ZINC001209206351 773569668 /nfs/dbraw/zinc/56/96/68/773569668.db2.gz ZXCXREPIFOBFDS-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1)N(C)C ZINC001209474324 773608664 /nfs/dbraw/zinc/60/86/64/773608664.db2.gz HFWWABUJQLNYCQ-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209632268 773627111 /nfs/dbraw/zinc/62/71/11/773627111.db2.gz LUXQWJOTINZEFL-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001209643878 773629699 /nfs/dbraw/zinc/62/96/99/773629699.db2.gz XFUCTQVMWSRIJI-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001209690137 773634440 /nfs/dbraw/zinc/63/44/40/773634440.db2.gz OPKJXQIESODBHK-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001210218930 773686979 /nfs/dbraw/zinc/68/69/79/773686979.db2.gz RLHQQXGUDKWQJO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCCC2)C1 ZINC001210482284 773711662 /nfs/dbraw/zinc/71/16/62/773711662.db2.gz LRESIEBEKPIRLZ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N2CCCC2)C1 ZINC001210482284 773711666 /nfs/dbraw/zinc/71/16/66/773711666.db2.gz LRESIEBEKPIRLZ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N(C)C ZINC001210685064 773730864 /nfs/dbraw/zinc/73/08/64/773730864.db2.gz MCULDCGVWXIRNX-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210745170 773734403 /nfs/dbraw/zinc/73/44/03/773734403.db2.gz YZPGJRWLXWBZFH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064191 773764769 /nfs/dbraw/zinc/76/47/69/773764769.db2.gz JSNXKETWFMBREW-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064191 773764773 /nfs/dbraw/zinc/76/47/73/773764773.db2.gz JSNXKETWFMBREW-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001211125500 773772991 /nfs/dbraw/zinc/77/29/91/773772991.db2.gz GGRDFRGHXHPPCL-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO NC(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126238 773773185 /nfs/dbraw/zinc/77/31/85/773773185.db2.gz PEPDMVVYWGAHCH-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001211282861 773790207 /nfs/dbraw/zinc/79/02/07/773790207.db2.gz DSWHRGGAFPVBFM-CQSZACIVSA-N 1 3 308.430 0.199 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825996 773814004 /nfs/dbraw/zinc/81/40/04/773814004.db2.gz LATNTBKUCJRNJA-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CC(=O)N=c1ccn(-c2ccc(N3CC[NH2+]CC3)cc2)cc1N ZINC001213260090 773823977 /nfs/dbraw/zinc/82/39/77/773823977.db2.gz NVZKEWIAGKBBFL-UHFFFAOYSA-N 1 3 311.389 0.916 20 0 DCADHO CC[C@@H](CN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1)OC ZINC001213678376 773874501 /nfs/dbraw/zinc/87/45/01/773874501.db2.gz RVYGGLPFXRQVTN-RRFJBIMHSA-N 1 3 315.458 0.569 20 0 DCADHO CC[C@@H](CN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1)OC ZINC001213678376 773874507 /nfs/dbraw/zinc/87/45/07/773874507.db2.gz RVYGGLPFXRQVTN-RRFJBIMHSA-N 1 3 315.458 0.569 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cncn1-c1ccncc1 ZINC001198555363 773946198 /nfs/dbraw/zinc/94/61/98/773946198.db2.gz CPKDBWQRFJCOBO-UHFFFAOYSA-N 1 3 301.354 0.342 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214336140 773960239 /nfs/dbraw/zinc/96/02/39/773960239.db2.gz VPXAHCQYIQQKSG-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CCn1nnc(C)c1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456075 774073932 /nfs/dbraw/zinc/07/39/32/774073932.db2.gz MCNCNPQFKRIRSU-TZMCWYRMSA-N 1 3 322.457 0.495 20 0 DCADHO C[C@@H](NC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C1CC1 ZINC001215459043 774074524 /nfs/dbraw/zinc/07/45/24/774074524.db2.gz VBKDPAPMNKNRNG-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO F[C@H]1CCC[NH2+]C[C@@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001217981086 774208525 /nfs/dbraw/zinc/20/85/25/774208525.db2.gz OJHCNCDULJHYFU-AAEUAGOBSA-N 1 3 305.357 0.844 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001218096499 774212020 /nfs/dbraw/zinc/21/20/20/774212020.db2.gz QZBSDIQOXVAOLT-ZOBUZTSGSA-N 1 3 303.406 0.953 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(OC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001218106659 774213198 /nfs/dbraw/zinc/21/31/98/774213198.db2.gz PWYAHAFOLZCGPC-HNNXBMFYSA-N 1 3 303.406 0.953 20 0 DCADHO Cc1cccc2nc(NC(=O)[C@@H](N)CN3CCC([NH3+])CC3)[nH]c21 ZINC001218502997 774230603 /nfs/dbraw/zinc/23/06/03/774230603.db2.gz VWUPGWKCDLMZBG-LBPRGKRZSA-N 1 3 316.409 0.560 20 0 DCADHO Cn1nc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c2ccc(Cl)nc21 ZINC001218573550 774252720 /nfs/dbraw/zinc/25/27/20/774252720.db2.gz YAJSCGBWJAIEGZ-NSHDSACASA-N 1 3 322.800 0.887 20 0 DCADHO CN(C(=O)[C@H](N)CCC[NH3+])c1ncc(C(F)(F)F)cc1N ZINC001218587786 774257381 /nfs/dbraw/zinc/25/73/81/774257381.db2.gz NMFUXRTZHJZNNH-MRVPVSSYSA-N 1 3 305.304 0.712 20 0 DCADHO N[C@H](C(=O)Nc1cncc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001218593370 774258420 /nfs/dbraw/zinc/25/84/20/774258420.db2.gz UCLFHSCORAJAFD-JTQLQIEISA-N 1 3 303.288 0.761 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1CCCO1 ZINC001218642866 774271026 /nfs/dbraw/zinc/27/10/26/774271026.db2.gz FHHGZCSFOONYKL-UWVGGRQHSA-N 1 3 319.369 0.140 20 0 DCADHO CC(=O)Nc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ccn1 ZINC001218650616 774272407 /nfs/dbraw/zinc/27/24/07/774272407.db2.gz VONLVUDPTWKAON-IAQYHMDHSA-N 1 3 303.366 0.178 20 0 DCADHO O=C(Nc1c(Cl)cnnc1Cl)[C@H]1C[NH2+]CC12CNC2 ZINC001218652830 774272936 /nfs/dbraw/zinc/27/29/36/774272936.db2.gz PUVORXIFCOWMMP-ZCFIWIBFSA-N 1 3 302.165 0.531 20 0 DCADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001218709866 774285762 /nfs/dbraw/zinc/28/57/62/774285762.db2.gz BOOMUYOAFVQUDF-NJBDSQKTSA-N 1 3 306.366 0.662 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726650 774290129 /nfs/dbraw/zinc/29/01/29/774290129.db2.gz PCSPKQVUIBZFAB-OLZOCXBDSA-N 1 3 316.365 0.054 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726650 774290130 /nfs/dbraw/zinc/29/01/30/774290130.db2.gz PCSPKQVUIBZFAB-OLZOCXBDSA-N 1 3 316.365 0.054 20 0 DCADHO O=C(Nc1cn2c(cccc2Cl)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218738482 774292124 /nfs/dbraw/zinc/29/21/24/774292124.db2.gz KCINTDZNYXHILJ-SECBINFHSA-N 1 3 305.769 0.735 20 0 DCADHO Cc1cnn(C2CCOCC2)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218742616 774293752 /nfs/dbraw/zinc/29/37/52/774293752.db2.gz YUWZJGCDSLEHLO-ZDUSSCGKSA-N 1 3 309.414 0.938 20 0 DCADHO Cc1cc(NC(=O)[C@H](N)CCC[NH3+])n(CC2CCOCC2)n1 ZINC001218750079 774297057 /nfs/dbraw/zinc/29/70/57/774297057.db2.gz OYSJYFRTNYXZBR-CYBMUJFWSA-N 1 3 309.414 0.623 20 0 DCADHO O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218818280 774310926 /nfs/dbraw/zinc/31/09/26/774310926.db2.gz SUBRADIMRQCJJD-CQSZACIVSA-N 1 3 314.389 0.561 20 0 DCADHO CN(C)C(=O)Cc1ccccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218954377 774335042 /nfs/dbraw/zinc/33/50/42/774335042.db2.gz LNIUZSDFSUCKCV-ZDUSSCGKSA-N 1 3 306.410 0.712 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001218990218 774342114 /nfs/dbraw/zinc/34/21/14/774342114.db2.gz GHVHKGHMBAQSSH-JTQLQIEISA-N 1 3 305.338 0.436 20 0 DCADHO CN(CC(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[NH2+]C1 ZINC001219028165 774350578 /nfs/dbraw/zinc/35/05/78/774350578.db2.gz RUCNGHHJQGIIQX-OAHLLOKOSA-N 1 3 318.421 0.791 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCCO[C@H](CNCCF)C1 ZINC001200527809 774361338 /nfs/dbraw/zinc/36/13/38/774361338.db2.gz ABGZIXHUNGMMPW-CABCVRRESA-N 1 3 313.417 0.505 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]CCOC)C1 ZINC001200849844 774416534 /nfs/dbraw/zinc/41/65/34/774416534.db2.gz BYJXLPHXOXOKHP-AWEZNQCLSA-N 1 3 315.458 0.570 20 0 DCADHO CO[C@@H](CN)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290560 774436757 /nfs/dbraw/zinc/43/67/57/774436757.db2.gz GQTWPYPLJQEQBN-ZDUSSCGKSA-N 1 3 310.373 0.665 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201067164 774441628 /nfs/dbraw/zinc/44/16/28/774441628.db2.gz ZDXFTZIFTGQHMJ-OAHLLOKOSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@@H](F)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335350 774494005 /nfs/dbraw/zinc/49/40/05/774494005.db2.gz NEFIXBURGIGYJI-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CCn1nnc(-c2ccccc2NC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001219480717 774509897 /nfs/dbraw/zinc/50/98/97/774509897.db2.gz DOAGZSGKMAIVMJ-NSHDSACASA-N 1 3 303.370 0.365 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201480858 774519725 /nfs/dbraw/zinc/51/97/25/774519725.db2.gz BHHDTPSROPZSIR-AWEZNQCLSA-N 1 3 310.398 0.196 20 0 DCADHO C[C@H](F)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483724 774520792 /nfs/dbraw/zinc/52/07/92/774520792.db2.gz OIJZSHFTILSENO-JSGCOSHPSA-N 1 3 312.389 0.907 20 0 DCADHO CN1Cc2c(NC(=O)[C@@H]3C[NH2+]CC34CNC4)cccc2NC1=O ZINC001219529991 774524705 /nfs/dbraw/zinc/52/47/05/774524705.db2.gz GLMLYZPKTWHPSN-NSHDSACASA-N 1 3 315.377 0.411 20 0 DCADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)C1 ZINC001219648789 774571220 /nfs/dbraw/zinc/57/12/20/774571220.db2.gz AARABXWPNMDQQX-JHJVBQTASA-N 1 3 313.442 0.797 20 0 DCADHO N[C@H](CC(=O)N[C@@H]1COC[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001219720061 774590616 /nfs/dbraw/zinc/59/06/16/774590616.db2.gz FMMGEKSSDHWBRO-GRYCIOLGSA-N 1 3 317.311 0.938 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)NC[C@@]2(F)CCC[NH2+]C2)cn1 ZINC001219767994 774601632 /nfs/dbraw/zinc/60/16/32/774601632.db2.gz JIEATPOOSBPINZ-SWLSCSKDSA-N 1 3 310.373 0.688 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769202 774601932 /nfs/dbraw/zinc/60/19/32/774601932.db2.gz UIJUCKALRVVTPC-RDJZCZTQSA-N 1 3 323.412 0.999 20 0 DCADHO O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1CNC[C@@H](F)C1 ZINC001219788955 774608337 /nfs/dbraw/zinc/60/83/37/774608337.db2.gz UAEVAXNRASETMH-MCIONIFRSA-N 1 3 308.401 0.661 20 0 DCADHO CC1(C)N[C@H](C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)CO1 ZINC001219796065 774611011 /nfs/dbraw/zinc/61/10/11/774611011.db2.gz LCRHEFLHPIEEHW-AWEZNQCLSA-N 1 3 310.442 0.044 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)n1 ZINC001202207219 774615180 /nfs/dbraw/zinc/61/51/80/774615180.db2.gz KQKSLNJRYLOZOM-UHFFFAOYSA-N 1 3 319.453 0.843 20 0 DCADHO N[C@H](C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1Cc2ccccc2C1 ZINC001219847307 774626483 /nfs/dbraw/zinc/62/64/83/774626483.db2.gz CNCILABQHMMLBS-LUKYLMHMSA-N 1 3 315.417 0.364 20 0 DCADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[NH2+]CCO ZINC001219918395 774645560 /nfs/dbraw/zinc/64/55/60/774645560.db2.gz KPCPXTANHCSXMG-GFCCVEGCSA-N 1 3 319.327 0.273 20 0 DCADHO COC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220079642 774689280 /nfs/dbraw/zinc/68/92/80/774689280.db2.gz UISFZULZSNCMIM-RYUDHWBXSA-N 1 3 319.471 0.457 20 0 DCADHO N[C@H](C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)C1CCC(O)CC1 ZINC001220163887 774715594 /nfs/dbraw/zinc/71/55/94/774715594.db2.gz WKJCKHTWQMMHBM-OJAFVXRYSA-N 1 3 309.454 0.903 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NC[C@H]1CCNCC1(F)F ZINC001220186572 774726062 /nfs/dbraw/zinc/72/60/62/774726062.db2.gz RYQZKIHWDSTTOG-NEPJUHHUSA-N 1 3 306.401 0.407 20 0 DCADHO N[C@H](C(=O)NCCNC(=O)Nc1ccccc1)C1CC[NH2+]CC1 ZINC001220340382 774777417 /nfs/dbraw/zinc/77/74/17/774777417.db2.gz BJVTXDCIAWCOFT-AWEZNQCLSA-N 1 3 319.409 0.251 20 0 DCADHO O=C(CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)Cc1ccccc1 ZINC001220462790 774818087 /nfs/dbraw/zinc/81/80/87/774818087.db2.gz ORHNUNHAVODNEJ-MRXNPFEDSA-N 1 3 315.417 0.789 20 0 DCADHO O=C(CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)Cc1ccccc1 ZINC001220462790 774818094 /nfs/dbraw/zinc/81/80/94/774818094.db2.gz ORHNUNHAVODNEJ-MRXNPFEDSA-N 1 3 315.417 0.789 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@@H](NC)c2ccccc2)CC[NH2+]C1 ZINC001220521503 774835204 /nfs/dbraw/zinc/83/52/04/774835204.db2.gz HMKNILYBNJBLOT-HNNXBMFYSA-N 1 3 317.389 0.874 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114404855 774841147 /nfs/dbraw/zinc/84/11/47/774841147.db2.gz INRJCHZBVRGIJJ-FXUDXRNXSA-N 1 3 309.454 0.798 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)N(C)C ZINC001114404855 774841155 /nfs/dbraw/zinc/84/11/55/774841155.db2.gz INRJCHZBVRGIJJ-FXUDXRNXSA-N 1 3 309.454 0.798 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21)C1CC1 ZINC001114408801 774845209 /nfs/dbraw/zinc/84/52/09/774845209.db2.gz APMPEZVRXOVWNG-LTIDMASMSA-N 1 3 321.465 0.942 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21)C1CC1 ZINC001114408801 774845217 /nfs/dbraw/zinc/84/52/17/774845217.db2.gz APMPEZVRXOVWNG-LTIDMASMSA-N 1 3 321.465 0.942 20 0 DCADHO CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1)OC ZINC001114413604 774849683 /nfs/dbraw/zinc/84/96/83/774849683.db2.gz CLIIIPRYAFLZCU-LJIGWXMPSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1)OC ZINC001114413604 774849692 /nfs/dbraw/zinc/84/96/92/774849692.db2.gz CLIIIPRYAFLZCU-LJIGWXMPSA-N 1 3 309.454 0.942 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001220624580 774868818 /nfs/dbraw/zinc/86/88/18/774868818.db2.gz NPXOWBMYKFXUOU-VXGBXAGGSA-N 1 3 319.327 0.921 20 0 DCADHO O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CNC[C@H](F)C1 ZINC001220651230 774877834 /nfs/dbraw/zinc/87/78/34/774877834.db2.gz HKQVIUJQNBOGHM-HUUCEWRRSA-N 1 3 320.412 0.660 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1)N(C)C ZINC001202531663 774885278 /nfs/dbraw/zinc/88/52/78/774885278.db2.gz JVMRVZPZRSGDGY-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(CC(=O)N1CCCC1)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220687696 774890324 /nfs/dbraw/zinc/89/03/24/774890324.db2.gz RJLCLDKWNLWWIU-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)C1 ZINC001220755557 774909104 /nfs/dbraw/zinc/90/91/04/774909104.db2.gz QCAJDSFDYDCZEO-KFWWJZLASA-N 1 3 315.433 0.629 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)C1 ZINC001220755557 774909109 /nfs/dbraw/zinc/90/91/09/774909109.db2.gz QCAJDSFDYDCZEO-KFWWJZLASA-N 1 3 315.433 0.629 20 0 DCADHO C[C@@H](CNC(=O)[C@@H](N)Cc1cncn1C)CC(C)(C)CC[NH3+] ZINC001220763539 774909889 /nfs/dbraw/zinc/90/98/89/774909889.db2.gz FTYBUVMPTJQUBD-OCCSQVGLSA-N 1 3 309.458 0.807 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220785821 774914548 /nfs/dbraw/zinc/91/45/48/774914548.db2.gz DDZOEMSBEVUTJT-YDHLFZDLSA-N 1 3 320.393 0.129 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)C1 ZINC001220976443 774967544 /nfs/dbraw/zinc/96/75/44/774967544.db2.gz ZQWLTUGDUDMKAJ-MCIONIFRSA-N 1 3 301.406 0.239 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)C1 ZINC001220976443 774967550 /nfs/dbraw/zinc/96/75/50/774967550.db2.gz ZQWLTUGDUDMKAJ-MCIONIFRSA-N 1 3 301.406 0.239 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060931 774987527 /nfs/dbraw/zinc/98/75/27/774987527.db2.gz UEARZHISGJJLOC-AWEZNQCLSA-N 1 3 305.357 0.421 20 0 DCADHO N[C@@H](C(=O)NCC1(c2ccc(F)cn2)CC1)C1CC[NH2+]CC1 ZINC001221174604 775017268 /nfs/dbraw/zinc/01/72/68/775017268.db2.gz JMBVHWJHRBILNM-CQSZACIVSA-N 1 3 306.385 0.695 20 0 DCADHO N[C@H](C(=O)NCC[C@@H]1COc2ccccc2O1)C1CC[NH2+]CC1 ZINC001221295329 775057892 /nfs/dbraw/zinc/05/78/92/775057892.db2.gz GAJQUFXQOZOVSY-CJNGLKHVSA-N 1 3 319.405 0.660 20 0 DCADHO O=C(NC1(Cc2ccc(O)cc2)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221329199 775069610 /nfs/dbraw/zinc/06/96/10/775069610.db2.gz IVUNRVNWUOZMQN-CQSZACIVSA-N 1 3 301.390 0.393 20 0 DCADHO Cn1cncc1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333794 775072074 /nfs/dbraw/zinc/07/20/74/775072074.db2.gz UIQCBKXMCMBZRN-HOCLYGCPSA-N 1 3 313.405 0.202 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)NC1 ZINC001221390541 775083155 /nfs/dbraw/zinc/08/31/55/775083155.db2.gz DTVIEGQKANUGPG-CYBMUJFWSA-N 1 3 304.438 0.944 20 0 DCADHO CC(=O)N1CCC(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)CC1 ZINC001222670006 775411667 /nfs/dbraw/zinc/41/16/67/775411667.db2.gz ZXBLZJWLDUADET-KRWDZBQOSA-N 1 3 308.470 0.662 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CCN([C@H]2CCCNC2=O)CC1 ZINC001225087940 775641304 /nfs/dbraw/zinc/64/13/04/775641304.db2.gz QUFNBAKXJSGWBO-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CCN([C@H]2CCCNC2=O)CC1 ZINC001225087940 775641308 /nfs/dbraw/zinc/64/13/08/775641308.db2.gz QUFNBAKXJSGWBO-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226831557 775883441 /nfs/dbraw/zinc/88/34/41/775883441.db2.gz SSSLVWRZVFFEIN-NWANDNLSSA-N 1 3 324.469 0.622 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC ZINC001229232179 776172399 /nfs/dbraw/zinc/17/23/99/776172399.db2.gz YTJUGLWFHBABNV-RBSFLKMASA-N 1 3 315.458 0.353 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001229231660 776172451 /nfs/dbraw/zinc/17/24/51/776172451.db2.gz SJVXHCNPONXXAU-KFWWJZLASA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001229868515 776231934 /nfs/dbraw/zinc/23/19/34/776231934.db2.gz KCXGODGAMPMBAO-HUUCEWRRSA-N 1 3 322.457 0.637 20 0 DCADHO NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266485 776272925 /nfs/dbraw/zinc/27/29/25/776272925.db2.gz KAQLSSKCHCPZHM-ZIAGYGMSSA-N 1 3 310.442 0.365 20 0 DCADHO CN(CC[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@H]1CCCN1C ZINC001317618797 945118659 /nfs/dbraw/zinc/11/86/59/945118659.db2.gz NIOAPOHRUFQLGW-OAHLLOKOSA-N 1 3 318.421 0.428 20 0 DCADHO CN(C)CC1(C[NH+]2CC3(C2)CCOC[C@H]3C(N)=O)CCCC1 ZINC001278073477 945126290 /nfs/dbraw/zinc/12/62/90/945126290.db2.gz AEUZKZNMDNTYIG-AWEZNQCLSA-N 1 3 309.454 0.932 20 0 DCADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCOCCO)CC1)N(C)C ZINC001278079720 945126687 /nfs/dbraw/zinc/12/66/87/945126687.db2.gz LQSOAWDSWIBHCO-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N(CCCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N(C)C ZINC001317708722 945169079 /nfs/dbraw/zinc/16/90/79/945169079.db2.gz AESAHRDLZZIJRR-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@H]3CCCOC3)C2)C1=O ZINC001273032814 945211695 /nfs/dbraw/zinc/21/16/95/945211695.db2.gz CBNJRXGINATQGC-WBVHZDCISA-N 1 3 309.454 0.899 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@H]3CCCOC3)C2)C1=O ZINC001273032814 945211702 /nfs/dbraw/zinc/21/17/02/945211702.db2.gz CBNJRXGINATQGC-WBVHZDCISA-N 1 3 309.454 0.899 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)CCc1ccnn1C ZINC001480874416 939120025 /nfs/dbraw/zinc/12/00/25/939120025.db2.gz CWZIIZSZSLRROF-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO CN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)CCc1ccnn1C ZINC001480874416 939120029 /nfs/dbraw/zinc/12/00/29/939120029.db2.gz CWZIIZSZSLRROF-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO C[NH+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CN(Cc2cnc[nH]2)C3)CC1 ZINC001278346543 945232304 /nfs/dbraw/zinc/23/23/04/945232304.db2.gz YJMOZZCIWAXPOD-CXAGYDPISA-N 1 3 317.437 0.784 20 0 DCADHO Cc1noc(CCC[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001266660747 939195444 /nfs/dbraw/zinc/19/54/44/939195444.db2.gz RNSDJUIJCHJZCV-CYBMUJFWSA-N 1 3 309.414 0.453 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C)C(N)=O ZINC001266880645 939265484 /nfs/dbraw/zinc/26/54/84/939265484.db2.gz NLRZWAZZYSHNBQ-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001266967408 939292803 /nfs/dbraw/zinc/29/28/03/939292803.db2.gz FAECZZDUROBEPS-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267171818 939370463 /nfs/dbraw/zinc/37/04/63/939370463.db2.gz OXGRKXLSROMNJR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001267171818 939370465 /nfs/dbraw/zinc/37/04/65/939370465.db2.gz OXGRKXLSROMNJR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001419565030 939482392 /nfs/dbraw/zinc/48/23/92/939482392.db2.gz IWIJIASSOVNABP-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CC[NH2+]CCCN1CCCC1=O)C(=O)[C@H]1CCCN1C ZINC001481266153 939681006 /nfs/dbraw/zinc/68/10/06/939681006.db2.gz JSTUZLVEZQBXOT-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001408847424 939695175 /nfs/dbraw/zinc/69/51/75/939695175.db2.gz RVKNPBQUHNRAJW-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001408847424 939695176 /nfs/dbraw/zinc/69/51/76/939695176.db2.gz RVKNPBQUHNRAJW-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001481522236 939913740 /nfs/dbraw/zinc/91/37/40/939913740.db2.gz ITOIDJJFGFCGGO-HZSPNIEDSA-N 1 3 312.458 0.384 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)n1 ZINC001268087138 939932395 /nfs/dbraw/zinc/93/23/95/939932395.db2.gz SOKKZANCJWBZCV-NSHDSACASA-N 1 3 320.397 0.713 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CCC1CCCC1 ZINC001268333321 940065286 /nfs/dbraw/zinc/06/52/86/940065286.db2.gz SINRSYRCCHQNKP-AWEZNQCLSA-N 1 3 308.426 0.908 20 0 DCADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCN(C)C1=O ZINC001481845202 940158172 /nfs/dbraw/zinc/15/81/72/940158172.db2.gz BLYJFMRRRPNTHM-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001481882125 940170456 /nfs/dbraw/zinc/17/04/56/940170456.db2.gz PKOUFEYPITXMJR-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001482008970 940204666 /nfs/dbraw/zinc/20/46/66/940204666.db2.gz AIKKZAWBMNOMPG-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[C@@H](CNC[C@@H](O)COc2ccc(CCO)cc2)C[NH2+]1 ZINC001245975095 945303181 /nfs/dbraw/zinc/30/31/81/945303181.db2.gz ORFHHTACZMXVPU-HYVNUMGLSA-N 1 3 322.449 0.939 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001268546163 940228724 /nfs/dbraw/zinc/22/87/24/940228724.db2.gz BSMODANSTQSMAK-VUBDOFJKSA-N 1 3 322.453 0.401 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001268546163 940228726 /nfs/dbraw/zinc/22/87/26/940228726.db2.gz BSMODANSTQSMAK-VUBDOFJKSA-N 1 3 322.453 0.401 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001482054351 940234994 /nfs/dbraw/zinc/23/49/94/940234994.db2.gz MTICKGYDQGKESO-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCn1cccn1 ZINC001482060882 940239375 /nfs/dbraw/zinc/23/93/75/940239375.db2.gz YZYMRULOBOIFQG-HUUCEWRRSA-N 1 3 305.426 0.558 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268580795 940265574 /nfs/dbraw/zinc/26/55/74/940265574.db2.gz CIQWLZQZMFPTDU-LLHFJSKOSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@@H](NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268580795 940265577 /nfs/dbraw/zinc/26/55/77/940265577.db2.gz CIQWLZQZMFPTDU-LLHFJSKOSA-N 1 3 310.442 0.243 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268588618 940271523 /nfs/dbraw/zinc/27/15/23/940271523.db2.gz UEUPMYSMGUTSRS-CFHLNLSMSA-N 1 3 310.442 0.067 20 0 DCADHO O=C1CCNC[C@@H]1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001245997554 945308733 /nfs/dbraw/zinc/30/87/33/945308733.db2.gz UPPUFXYQDKTVRK-INIZCTEOSA-N 1 3 317.433 0.534 20 0 DCADHO Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001268782807 940358007 /nfs/dbraw/zinc/35/80/07/940358007.db2.gz DOUMCBSYBRJLAZ-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001269186431 940642290 /nfs/dbraw/zinc/64/22/90/940642290.db2.gz HYIJZRBJCVAXDJ-KRWDZBQOSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)CC[NH+](C)C ZINC001482324442 940983597 /nfs/dbraw/zinc/98/35/97/940983597.db2.gz DEAJWTPMGYEFMF-GFCCVEGCSA-N 1 3 300.447 0.289 20 0 DCADHO C[C@@H](C[NH2+]CCn1cccn1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001482330067 940999099 /nfs/dbraw/zinc/99/90/99/940999099.db2.gz GTMYZDQLVPBVBY-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)n1 ZINC001482364159 941022261 /nfs/dbraw/zinc/02/22/61/941022261.db2.gz CHIPIMWQWJAPRP-CYBMUJFWSA-N 1 3 323.441 0.843 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001409017446 941264527 /nfs/dbraw/zinc/26/45/27/941264527.db2.gz PAJAFOKJPREGJL-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001482460225 941274201 /nfs/dbraw/zinc/27/42/01/941274201.db2.gz IPVKLHNLNHDLCK-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001409062158 941301794 /nfs/dbraw/zinc/30/17/94/941301794.db2.gz FJKNSXHBJCCUAK-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001409062158 941301795 /nfs/dbraw/zinc/30/17/95/941301795.db2.gz FJKNSXHBJCCUAK-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001482787426 941671269 /nfs/dbraw/zinc/67/12/69/941671269.db2.gz KKXSKBYBOCVEEM-JKSUJKDBSA-N 1 3 322.453 0.543 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)nn1C ZINC001482893237 941703513 /nfs/dbraw/zinc/70/35/13/941703513.db2.gz ZYTQNKLDFDQOOB-ZDUSSCGKSA-N 1 3 319.453 0.809 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482924320 941712531 /nfs/dbraw/zinc/71/25/31/941712531.db2.gz PMWIJRGWAZFJIL-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482924320 941712534 /nfs/dbraw/zinc/71/25/34/941712534.db2.gz PMWIJRGWAZFJIL-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482924318 941712574 /nfs/dbraw/zinc/71/25/74/941712574.db2.gz PMWIJRGWAZFJIL-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482924318 941712576 /nfs/dbraw/zinc/71/25/76/941712576.db2.gz PMWIJRGWAZFJIL-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO COc1ncc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001483192721 941929624 /nfs/dbraw/zinc/92/96/24/941929624.db2.gz CZRUSAXRDFUMRI-YPMHNXCESA-N 1 3 321.425 0.340 20 0 DCADHO COc1ncc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001483192721 941929627 /nfs/dbraw/zinc/92/96/27/941929627.db2.gz CZRUSAXRDFUMRI-YPMHNXCESA-N 1 3 321.425 0.340 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001483296893 942246622 /nfs/dbraw/zinc/24/66/22/942246622.db2.gz SJCXIVYOQPVCGB-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CN(CCC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001483494047 942385950 /nfs/dbraw/zinc/38/59/50/942385950.db2.gz ADRGBJHNCZPBNE-CZUORRHYSA-N 1 3 306.410 0.817 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCn2cccn2)C1 ZINC001483493252 942386595 /nfs/dbraw/zinc/38/65/95/942386595.db2.gz WDNAOENWWLUWKI-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CC(C)NC(=O)CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001483585365 942444503 /nfs/dbraw/zinc/44/45/03/942444503.db2.gz GLALNXQWKUSXOO-HNNXBMFYSA-N 1 3 324.469 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001413069918 942468592 /nfs/dbraw/zinc/46/85/92/942468592.db2.gz GGWWWTLHWWGFDM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001413069918 942468596 /nfs/dbraw/zinc/46/85/96/942468596.db2.gz GGWWWTLHWWGFDM-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO O=C(NC[C@@H](O)CNCC=C(Cl)Cl)C12CC[NH+](CC1)C2 ZINC001272558990 942826807 /nfs/dbraw/zinc/82/68/07/942826807.db2.gz DLZUFFMREPQAKW-JTQLQIEISA-N 1 3 322.236 0.468 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3cc[nH]c3)C2)C1=O ZINC001272647889 942885372 /nfs/dbraw/zinc/88/53/72/942885372.db2.gz DHNFWAIADNHDRC-KRWDZBQOSA-N 1 3 318.421 0.917 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(C)CCN([C@H]2CCNC2=O)CC1 ZINC001484144463 943162581 /nfs/dbraw/zinc/16/25/81/943162581.db2.gz GCSPKKHWSOPHAR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(C)CCN([C@H]2CCNC2=O)CC1 ZINC001484144463 943162584 /nfs/dbraw/zinc/16/25/84/943162584.db2.gz GCSPKKHWSOPHAR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484543514 943445353 /nfs/dbraw/zinc/44/53/53/943445353.db2.gz MSOHAEBOXDWABM-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001484550732 943449801 /nfs/dbraw/zinc/44/98/01/943449801.db2.gz WNBHDKXCNYFWTQ-AWEZNQCLSA-N 1 3 322.457 0.485 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCCF)CCOCC2)CC[N@@H+]1C ZINC001484864614 943606297 /nfs/dbraw/zinc/60/62/97/943606297.db2.gz VPTXDTXFFYPRLF-UONOGXRCSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2(CNCCF)CCOCC2)CC[N@H+]1C ZINC001484864614 943606299 /nfs/dbraw/zinc/60/62/99/943606299.db2.gz VPTXDTXFFYPRLF-UONOGXRCSA-N 1 3 315.433 0.941 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1 ZINC001485107882 943700156 /nfs/dbraw/zinc/70/01/56/943700156.db2.gz GEDOWXSOGQCVJE-UHFFFAOYSA-N 1 3 308.430 0.141 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(C)(C)C ZINC001485207454 943758048 /nfs/dbraw/zinc/75/80/48/943758048.db2.gz MXOUAGNAAVSFEN-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(C)(C)C ZINC001485207454 943758056 /nfs/dbraw/zinc/75/80/56/943758056.db2.gz MXOUAGNAAVSFEN-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001491261445 943876267 /nfs/dbraw/zinc/87/62/67/943876267.db2.gz UADWWBCOAUNWDA-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)N(C)C ZINC001491305488 943904658 /nfs/dbraw/zinc/90/46/58/943904658.db2.gz GGKUGJOKKXGVPE-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)N(C)C ZINC001491305488 943904661 /nfs/dbraw/zinc/90/46/61/943904661.db2.gz GGKUGJOKKXGVPE-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC2(CNCC(N)=O)CCCCC2)C1 ZINC001485456495 943945853 /nfs/dbraw/zinc/94/58/53/943945853.db2.gz VPUBRTXHPRCXET-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC2(CNCC(N)=O)CCCCC2)C1 ZINC001485456495 943945857 /nfs/dbraw/zinc/94/58/57/943945857.db2.gz VPUBRTXHPRCXET-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO CCN1CC[C@H](N(C)C2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001485763922 944123543 /nfs/dbraw/zinc/12/35/43/944123543.db2.gz XOWJIIYIBFUQKA-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001276415257 944162738 /nfs/dbraw/zinc/16/27/38/944162738.db2.gz GEEGPRLMCHPNAI-UHFFFAOYSA-N 1 3 309.454 0.899 20 0 DCADHO Cn1nccc1CN1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272738676 944174116 /nfs/dbraw/zinc/17/41/16/944174116.db2.gz LLANOGDVZVKUFP-INIZCTEOSA-N 1 3 305.426 0.406 20 0 DCADHO C[NH+](C)CCN1C[C@H]2CN(CC3(C)CCOCC3)C[C@@H](C1)O2 ZINC001276449060 944175428 /nfs/dbraw/zinc/17/54/28/944175428.db2.gz WTRJKFPZYJJZGS-IYBDPMFKSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccnn1C ZINC001485922917 944404581 /nfs/dbraw/zinc/40/45/81/944404581.db2.gz TUVDQMVCWJGZNB-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CC1 ZINC001485945324 944426092 /nfs/dbraw/zinc/42/60/92/944426092.db2.gz VRKVIDCSVMDRNQ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CC1 ZINC001485945324 944426095 /nfs/dbraw/zinc/42/60/95/944426095.db2.gz VRKVIDCSVMDRNQ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001486088304 944546932 /nfs/dbraw/zinc/54/69/32/944546932.db2.gz GTKAMNYJRXLBQV-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486233722 944683592 /nfs/dbraw/zinc/68/35/92/944683592.db2.gz CWXAAUUTNUZELV-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001486233722 944683596 /nfs/dbraw/zinc/68/35/96/944683596.db2.gz CWXAAUUTNUZELV-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C\Cl)N(C)C ZINC001486282573 944693273 /nfs/dbraw/zinc/69/32/73/944693273.db2.gz DZSWBUPIYIXZKF-JSIVBPPZSA-N 1 3 305.850 0.734 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]C/C=C/Cl)N(C)C ZINC001486282574 944693569 /nfs/dbraw/zinc/69/35/69/944693569.db2.gz DZSWBUPIYIXZKF-VWWYUBIBSA-N 1 3 305.850 0.734 20 0 DCADHO CN(C[C@@H](O)CNC/C=C\Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486311679 944772607 /nfs/dbraw/zinc/77/26/07/944772607.db2.gz NOPYJYOKTWHQKV-NZTAEXDXSA-N 1 3 303.834 0.490 20 0 DCADHO CN(C[C@@H](O)CNC/C=C\Cl)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486311679 944772614 /nfs/dbraw/zinc/77/26/14/944772614.db2.gz NOPYJYOKTWHQKV-NZTAEXDXSA-N 1 3 303.834 0.490 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C(C)(C)C ZINC001486412309 944863634 /nfs/dbraw/zinc/86/36/34/944863634.db2.gz WTEBUOVXCGLRRK-ZDUSSCGKSA-N 1 3 312.458 0.195 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C ZINC001493600942 944997134 /nfs/dbraw/zinc/99/71/34/944997134.db2.gz SLAFIGJRVFPWNT-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO COC(=O)C1C[C@@H]2CC([NH2+][C@H](C)[C@H]3CNCCO3)C[C@H](C1)N2 ZINC001246288284 945376843 /nfs/dbraw/zinc/37/68/43/945376843.db2.gz ANRQSLKNRAVFJN-KVXIRKCPSA-N 1 3 311.426 0.025 20 0 DCADHO O=C1CC[C@H]([NH2+][C@@H]2CNC[C@H]2CO)CCN1Cc1ccccc1 ZINC001246301142 945380481 /nfs/dbraw/zinc/38/04/81/945380481.db2.gz VRIHBKDXKUSJJA-YESZJQIVSA-N 1 3 317.433 0.738 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCOCC3CC3)C2)C1 ZINC001278444072 945398040 /nfs/dbraw/zinc/39/80/40/945398040.db2.gz OACCYLIXCRXMPV-DOTOQJQBSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(CCOCC3CC3)C2)C1 ZINC001278444072 945398048 /nfs/dbraw/zinc/39/80/48/945398048.db2.gz OACCYLIXCRXMPV-DOTOQJQBSA-N 1 3 309.454 0.945 20 0 DCADHO c1nc(CN[C@H]2CCNC3(C[NH2+]C3)C2)cc(OCC2CC2)n1 ZINC001246436564 945408778 /nfs/dbraw/zinc/40/87/78/945408778.db2.gz XKEANLRSFWZATC-ZDUSSCGKSA-N 1 3 303.410 0.449 20 0 DCADHO C[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)C[NH2+]1 ZINC001246462940 945415415 /nfs/dbraw/zinc/41/54/15/945415415.db2.gz JLCVYPBPNNDUMX-DUJLVANISA-N 1 3 301.456 0.672 20 0 DCADHO CC[C@@H]1C[C@@H](N2CCOC[C@@]3(CNCCO3)C2)C[C@H](CC)[NH2+]1 ZINC001246599613 945441416 /nfs/dbraw/zinc/44/14/16/945441416.db2.gz DOJIDLPBQUYLDG-YYIAUSFCSA-N 1 3 311.470 0.986 20 0 DCADHO COC(=O)N1CCC(N2CCNC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246622181 945445070 /nfs/dbraw/zinc/44/50/70/945445070.db2.gz FWUXMTYKNUOPBG-MRXNPFEDSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)CCN1 ZINC001246722542 945473573 /nfs/dbraw/zinc/47/35/73/945473573.db2.gz QXROLQPBZOSVAZ-JKIFEVAISA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)CCN1 ZINC001246722542 945473578 /nfs/dbraw/zinc/47/35/78/945473578.db2.gz QXROLQPBZOSVAZ-JKIFEVAISA-N 1 3 317.437 0.989 20 0 DCADHO C[C@H]1CC[C@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)C[NH2+]1 ZINC001246747272 945480089 /nfs/dbraw/zinc/48/00/89/945480089.db2.gz TURUINPIKQFVOW-ZFWWWQNUSA-N 1 3 319.453 0.651 20 0 DCADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CN1 ZINC001246792971 945491694 /nfs/dbraw/zinc/49/16/94/945491694.db2.gz GHMNKOXIWNGBHP-XPCVCDNBSA-N 1 3 303.410 0.455 20 0 DCADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CN1 ZINC001246792971 945491696 /nfs/dbraw/zinc/49/16/96/945491696.db2.gz GHMNKOXIWNGBHP-XPCVCDNBSA-N 1 3 303.410 0.455 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+]([C@@H](C)CCC(=O)OC)C[C@H]1CNCC2 ZINC001246855573 945504260 /nfs/dbraw/zinc/50/42/60/945504260.db2.gz OIUTUDLRUVNHMR-WOSRLPQWSA-N 1 3 312.410 0.803 20 0 DCADHO CCOC(=O)[C@]12C[N@H+]([C@@H](C)CCC(=O)OC)C[C@H]1CNCC2 ZINC001246855573 945504272 /nfs/dbraw/zinc/50/42/72/945504272.db2.gz OIUTUDLRUVNHMR-WOSRLPQWSA-N 1 3 312.410 0.803 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246857717 945508406 /nfs/dbraw/zinc/50/84/06/945508406.db2.gz VJFMZWAIWFRGRP-HOTGVXAUSA-N 1 3 303.406 0.708 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246857717 945508412 /nfs/dbraw/zinc/50/84/12/945508412.db2.gz VJFMZWAIWFRGRP-HOTGVXAUSA-N 1 3 303.406 0.708 20 0 DCADHO COc1ncc(Cl)cc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247851056 945579964 /nfs/dbraw/zinc/57/99/64/945579964.db2.gz MHJNGOOZQHYYKF-UHFFFAOYSA-N 1 3 321.768 0.854 20 0 DCADHO CN1CCCN(CC[NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC001251239020 945747252 /nfs/dbraw/zinc/74/72/52/945747252.db2.gz LYIPEEBLFHSAID-INIZCTEOSA-N 1 3 307.438 0.653 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001320414693 945866699 /nfs/dbraw/zinc/86/66/99/945866699.db2.gz KFFNEUMGJYRTIT-GJZGRUSLSA-N 1 3 322.457 0.635 20 0 DCADHO COC(=O)[C@@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001252437661 945930096 /nfs/dbraw/zinc/93/00/96/945930096.db2.gz WLWDDXMGHDYNQV-INIZCTEOSA-N 1 3 321.421 0.058 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001320644014 945960065 /nfs/dbraw/zinc/96/00/65/945960065.db2.gz IZHJXRZXCRGDIG-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO OCC[NH+](CCO)CCCNC[C@@H](O)c1ccc(F)cc1 ZINC001252858154 946019509 /nfs/dbraw/zinc/01/95/09/946019509.db2.gz HYTZJUCTFHIUMH-OAHLLOKOSA-N 1 3 300.374 0.125 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001410232108 946071425 /nfs/dbraw/zinc/07/14/25/946071425.db2.gz YAAXRDXTKMODAU-AJNGGQMLSA-N 1 3 324.469 0.288 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320929188 946072263 /nfs/dbraw/zinc/07/22/63/946072263.db2.gz QTSVOTMCUFUVHB-UHFFFAOYSA-N 1 3 306.410 0.285 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+]CCC(=O)Nc1nccs1 ZINC001253207364 946094069 /nfs/dbraw/zinc/09/40/69/946094069.db2.gz FRNOSZGJEKCQEC-NSHDSACASA-N 1 3 300.428 0.764 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410264549 946114505 /nfs/dbraw/zinc/11/45/05/946114505.db2.gz PIBZNEBXYGJSEP-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410264549 946114509 /nfs/dbraw/zinc/11/45/09/946114509.db2.gz PIBZNEBXYGJSEP-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001410272534 946125211 /nfs/dbraw/zinc/12/52/11/946125211.db2.gz RMQJFUGCUQXYEI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001321063564 946148418 /nfs/dbraw/zinc/14/84/18/946148418.db2.gz HQVXPKQPDDKPAF-CWHGNCJQSA-N 1 3 322.453 0.067 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001410319201 946182912 /nfs/dbraw/zinc/18/29/12/946182912.db2.gz AYJGCMSBFGSRAV-JKSUJKDBSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](CNCc1cnn(C)c1)C1CC1 ZINC001410319201 946182925 /nfs/dbraw/zinc/18/29/25/946182925.db2.gz AYJGCMSBFGSRAV-JKSUJKDBSA-N 1 3 319.453 0.698 20 0 DCADHO O[C@H]1COCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035164 946224581 /nfs/dbraw/zinc/22/45/81/946224581.db2.gz SKZPHYIDDQAFKL-QGZVFWFLSA-N 1 3 320.433 0.707 20 0 DCADHO O[C@H]1COCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035164 946224593 /nfs/dbraw/zinc/22/45/93/946224593.db2.gz SKZPHYIDDQAFKL-QGZVFWFLSA-N 1 3 320.433 0.707 20 0 DCADHO O[C@H]1COCCN(CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254035164 946224608 /nfs/dbraw/zinc/22/46/08/946224608.db2.gz SKZPHYIDDQAFKL-QGZVFWFLSA-N 1 3 320.433 0.707 20 0 DCADHO OC[C@@]1([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCOC1 ZINC001254055278 946225658 /nfs/dbraw/zinc/22/56/58/946225658.db2.gz LXDVEAMKXLLUQG-KRWDZBQOSA-N 1 3 320.433 0.755 20 0 DCADHO OC[C@H]1C[C@@H](O)C[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254051359 946227251 /nfs/dbraw/zinc/22/72/51/946227251.db2.gz KBGQPRNDJOPHIV-IAGOWNOFSA-N 1 3 320.433 0.441 20 0 DCADHO OC[C@H]1C[C@@H](O)C[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254051359 946227262 /nfs/dbraw/zinc/22/72/62/946227262.db2.gz KBGQPRNDJOPHIV-IAGOWNOFSA-N 1 3 320.433 0.441 20 0 DCADHO Nc1ccncc1-c1cn(C[C@@H]2C[C@@]3(CO2)CCC[NH2+]C3)nn1 ZINC001254067380 946230630 /nfs/dbraw/zinc/23/06/30/946230630.db2.gz HXZIJAMXXUDAEY-LRDDRELGSA-N 1 3 314.393 0.911 20 0 DCADHO COc1cc(CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C)ccn1 ZINC001410443521 946386925 /nfs/dbraw/zinc/38/69/25/946386925.db2.gz UWDZPXREMJQBAW-ZDUSSCGKSA-N 1 3 308.426 0.978 20 0 DCADHO C[NH+](C)CCN1CC[C@@]2(CCN(Cc3cnc(N)nc3)C2)C1=O ZINC001273303510 946455971 /nfs/dbraw/zinc/45/59/71/946455971.db2.gz CELKPKMRKNFAGN-MRXNPFEDSA-N 1 3 318.425 0.045 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)n1 ZINC001321869358 946493731 /nfs/dbraw/zinc/49/37/31/946493731.db2.gz FMEHDAFOLKPMLK-LBPRGKRZSA-N 1 3 322.457 0.474 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@@H]1CC[N@H+](C)C1)CCC2 ZINC001255432913 946505173 /nfs/dbraw/zinc/50/51/73/946505173.db2.gz DJXQNHQGCCYTAM-CQSZACIVSA-N 1 3 305.426 0.215 20 0 DCADHO CN(C)Cc1cc(=O)n2c(n1)CN([C@@H]1CC[N@@H+](C)C1)CCC2 ZINC001255432913 946505182 /nfs/dbraw/zinc/50/51/82/946505182.db2.gz DJXQNHQGCCYTAM-CQSZACIVSA-N 1 3 305.426 0.215 20 0 DCADHO C[NH+]1CCC(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CO)CC1 ZINC001256198276 946592532 /nfs/dbraw/zinc/59/25/32/946592532.db2.gz HXMNRXTZBMFZOJ-JSGCOSHPSA-N 1 3 313.442 0.898 20 0 DCADHO Cc1nccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001322441249 946680902 /nfs/dbraw/zinc/68/09/02/946680902.db2.gz ABNNMOISFYZSEU-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO Cc1ccccc1C[NH2+][C@@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001410719931 946835632 /nfs/dbraw/zinc/83/56/32/946835632.db2.gz HRVSCDDFLXNLGU-RHSMWYFYSA-N 1 3 319.449 0.904 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC1(C)C ZINC001258414075 946835936 /nfs/dbraw/zinc/83/59/36/946835936.db2.gz PZTYIGASSBXRTN-ZDUSSCGKSA-N 1 3 312.458 0.101 20 0 DCADHO Cc1nc(CN[C@H]2C[C@@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001410859788 947041741 /nfs/dbraw/zinc/04/17/41/947041741.db2.gz MESVYSTVSCYAAD-YPMHNXCESA-N 1 3 320.441 0.534 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)C[C@H]1C ZINC001410886349 947085643 /nfs/dbraw/zinc/08/56/43/947085643.db2.gz QGWSBWQLAQMNNB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001410897396 947103239 /nfs/dbraw/zinc/10/32/39/947103239.db2.gz BNBKAXLUMHDENN-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001410897396 947103242 /nfs/dbraw/zinc/10/32/42/947103242.db2.gz BNBKAXLUMHDENN-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)CN1C(=O)CN1CCCC1 ZINC001410900297 947105628 /nfs/dbraw/zinc/10/56/28/947105628.db2.gz ZXRKTSGFYPUUJX-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001261317501 947241562 /nfs/dbraw/zinc/24/15/62/947241562.db2.gz CSDZUVODAMNRHS-HNNXBMFYSA-N 1 3 322.453 0.237 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001261317501 947241571 /nfs/dbraw/zinc/24/15/71/947241571.db2.gz CSDZUVODAMNRHS-HNNXBMFYSA-N 1 3 322.453 0.237 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001493058657 947327959 /nfs/dbraw/zinc/32/79/59/947327959.db2.gz NVGCDLDCOFAQDO-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001493058657 947327974 /nfs/dbraw/zinc/32/79/74/947327974.db2.gz NVGCDLDCOFAQDO-STQMWFEESA-N 1 3 319.396 0.800 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001273428399 947351326 /nfs/dbraw/zinc/35/13/26/947351326.db2.gz UZNTVBBSJDTGTD-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001273428399 947351334 /nfs/dbraw/zinc/35/13/34/947351334.db2.gz UZNTVBBSJDTGTD-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2c(C)cnn2COC)CC1 ZINC001324270924 947373216 /nfs/dbraw/zinc/37/32/16/947373216.db2.gz ZJOMXSPSXADQSQ-UHFFFAOYSA-N 1 3 309.458 0.913 20 0 DCADHO O[C@@]1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCNC[C@@H]1F ZINC001246089796 947676157 /nfs/dbraw/zinc/67/61/57/947676157.db2.gz SQXORFYPHSMZML-NWDGAFQWSA-N 1 3 313.339 0.665 20 0 DCADHO C[C@H]1C[C@@H](NS(=O)(=O)CC[NH3+])CCN1Cc1ccccc1 ZINC000379641584 947835975 /nfs/dbraw/zinc/83/59/75/947835975.db2.gz YLJSYTQREHUYAL-ZFWWWQNUSA-N 1 3 311.451 0.918 20 0 DCADHO COCOCCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273468737 947909129 /nfs/dbraw/zinc/90/91/29/947909129.db2.gz YCHOBPKJHREFIQ-MRXNPFEDSA-N 1 3 313.442 0.483 20 0 DCADHO COCOCCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273468737 947909137 /nfs/dbraw/zinc/90/91/37/947909137.db2.gz YCHOBPKJHREFIQ-MRXNPFEDSA-N 1 3 313.442 0.483 20 0 DCADHO CCOC(=O)CCN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273469505 947909881 /nfs/dbraw/zinc/90/98/81/947909881.db2.gz JMCVOXJXRGEAPL-MRXNPFEDSA-N 1 3 311.426 0.568 20 0 DCADHO CN1CCN(CCCN2C[C@@]3(CC2=O)CCCC[N@@H+]3C)CC1 ZINC001273516878 947938363 /nfs/dbraw/zinc/93/83/63/947938363.db2.gz HFTAGLHDSJDDBA-KRWDZBQOSA-N 1 3 308.470 0.711 20 0 DCADHO CN1CCN(CCCN2C[C@@]3(CC2=O)CCCC[N@H+]3C)CC1 ZINC001273516878 947938366 /nfs/dbraw/zinc/93/83/66/947938366.db2.gz HFTAGLHDSJDDBA-KRWDZBQOSA-N 1 3 308.470 0.711 20 0 DCADHO CNC(=O)C(C)(C)N1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273839466 948465343 /nfs/dbraw/zinc/46/53/43/948465343.db2.gz OWJOHFPRNXEVED-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001328914952 949191992 /nfs/dbraw/zinc/19/19/92/949191992.db2.gz DHHSCZVAQFAWRD-RUXDESIVSA-N 1 3 308.430 0.103 20 0 DCADHO CCN1CC[C@@H](N(C)CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001265037423 949215148 /nfs/dbraw/zinc/21/51/48/949215148.db2.gz ZFLYTZGWKNRWEF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H](N(C)CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001265037423 949215170 /nfs/dbraw/zinc/21/51/70/949215170.db2.gz ZFLYTZGWKNRWEF-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)CCN1CCC[C@@H](N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC001364499591 949433608 /nfs/dbraw/zinc/43/36/08/949433608.db2.gz BNSIEXQVKHRTMG-CPUCHLNUSA-N 1 3 323.437 0.424 20 0 DCADHO COC(=O)CCN1CCC[C@@H](N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC001364499591 949433619 /nfs/dbraw/zinc/43/36/19/949433619.db2.gz BNSIEXQVKHRTMG-CPUCHLNUSA-N 1 3 323.437 0.424 20 0 DCADHO CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+]CCF ZINC001489022117 949440948 /nfs/dbraw/zinc/44/09/48/949440948.db2.gz DDKQPNBZFDIUQC-ZIAGYGMSSA-N 1 3 303.422 0.749 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001489234773 949653170 /nfs/dbraw/zinc/65/31/70/949653170.db2.gz UOVPAXICHJRMGY-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)[C@H](C)C1 ZINC001329675885 949772447 /nfs/dbraw/zinc/77/24/47/949772447.db2.gz LUKYGAKICMBKOO-UKRRQHHQSA-N 1 3 324.469 0.195 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)[C@H](C)C1 ZINC001329675885 949772467 /nfs/dbraw/zinc/77/24/67/949772467.db2.gz LUKYGAKICMBKOO-UKRRQHHQSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCN(C1CC1)[C@@H]1CCNC1=O)[NH+](C)C ZINC001490376391 950614948 /nfs/dbraw/zinc/61/49/48/950614948.db2.gz JSJUIUMRNVQHLX-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001280458015 950882311 /nfs/dbraw/zinc/88/23/11/950882311.db2.gz KGIUJCHYZGPFLO-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC/C=C\Cl)C2)CC[N@@H+]1C ZINC001280581598 950964602 /nfs/dbraw/zinc/96/46/02/950964602.db2.gz CRRQJKKBTRLSMF-HYSMTSLUSA-N 1 3 315.845 0.896 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC/C=C\Cl)C2)CC[N@H+]1C ZINC001280581598 950964624 /nfs/dbraw/zinc/96/46/24/950964624.db2.gz CRRQJKKBTRLSMF-HYSMTSLUSA-N 1 3 315.845 0.896 20 0 DCADHO CCN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001490666115 950967721 /nfs/dbraw/zinc/96/77/21/950967721.db2.gz YXYUESMTSWWULZ-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001490666115 950967738 /nfs/dbraw/zinc/96/77/38/950967738.db2.gz YXYUESMTSWWULZ-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001490675762 950981060 /nfs/dbraw/zinc/98/10/60/950981060.db2.gz ZHXWGWNCANSVNC-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001331600002 951189146 /nfs/dbraw/zinc/18/91/46/951189146.db2.gz GQAXEFUXQZLPMW-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CCCC[NH+](C)C ZINC001332047644 951449626 /nfs/dbraw/zinc/44/96/26/951449626.db2.gz IUVWWVDARRFRFF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001365815270 951577643 /nfs/dbraw/zinc/57/76/43/951577643.db2.gz IBZSLRPVNIPJBR-XHSDSOJGSA-N 1 3 321.469 0.954 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001274609467 951734773 /nfs/dbraw/zinc/73/47/73/951734773.db2.gz KZLIQYZEUMHGSE-OOPLNXAUSA-N 1 3 308.426 0.011 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001274609467 951734779 /nfs/dbraw/zinc/73/47/79/951734779.db2.gz KZLIQYZEUMHGSE-OOPLNXAUSA-N 1 3 308.426 0.011 20 0 DCADHO O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)N2C[C@H]1CCOC1 ZINC001275168261 951982945 /nfs/dbraw/zinc/98/29/45/951982945.db2.gz JGZVRUZXTDJISI-NCOADZHNSA-N 1 3 319.449 0.792 20 0 DCADHO O=C1CC[C@H](C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)N1 ZINC001275186818 951996492 /nfs/dbraw/zinc/99/64/92/951996492.db2.gz NFSZIZLBQBTWDT-OAHLLOKOSA-N 1 3 317.437 0.976 20 0 DCADHO Cc1nnsc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001275914825 952521808 /nfs/dbraw/zinc/52/18/08/952521808.db2.gz FDDNWCJEWTUIML-LBPRGKRZSA-N 1 3 311.455 0.879 20 0 DCADHO CN(CCC[NH2+]CC(=O)NC1CCCC1)C(=O)[C@@H]1CCCN1C ZINC001275914853 952522586 /nfs/dbraw/zinc/52/25/86/952522586.db2.gz FSARYSAKGKPYDN-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)CC(C)(C)O)C[C@H](C)O1 ZINC001335349988 952523374 /nfs/dbraw/zinc/52/33/74/952523374.db2.gz BZNZHQJASCTHFI-QLFBSQMISA-N 1 3 302.459 0.987 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001412635767 952956545 /nfs/dbraw/zinc/95/65/45/952956545.db2.gz MPDLMSDEMXWCGQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001412635767 952956550 /nfs/dbraw/zinc/95/65/50/952956550.db2.gz MPDLMSDEMXWCGQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnnn3C)CC2)CC1 ZINC001412700057 953004683 /nfs/dbraw/zinc/00/46/83/953004683.db2.gz BHTQIZSPJVQSOK-UHFFFAOYSA-N 1 3 320.441 0.950 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001276227374 953015367 /nfs/dbraw/zinc/01/53/67/953015367.db2.gz RAABCMQEHDXWMO-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)cn1 ZINC001276245774 953028653 /nfs/dbraw/zinc/02/86/53/953028653.db2.gz UXUSUVSAAZEOHM-UHFFFAOYSA-N 1 3 317.393 0.994 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001327078321 953049852 /nfs/dbraw/zinc/04/98/52/953049852.db2.gz DBURBFDSVRPXHG-CQSZACIVSA-N 1 3 301.431 0.180 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)CC1 ZINC001490848761 953123121 /nfs/dbraw/zinc/12/31/21/953123121.db2.gz WRIAGWLVKKRVTN-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001340119237 953146392 /nfs/dbraw/zinc/14/63/92/953146392.db2.gz CLTCMTYUVKAMGR-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=CCC[NH2+]CC1 ZINC001340204539 953154020 /nfs/dbraw/zinc/15/40/20/953154020.db2.gz FYYQNHUJKQXOMQ-HNNXBMFYSA-N 1 3 322.453 0.355 20 0 DCADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H](N)C(C)(C)O)cc1 ZINC001340854392 953198743 /nfs/dbraw/zinc/19/87/43/953198743.db2.gz SFPYCLLBTKJFEA-OAHLLOKOSA-N 1 3 323.437 0.732 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1CC1 ZINC001366068787 953644287 /nfs/dbraw/zinc/64/42/87/953644287.db2.gz YONLVAMLLNYVEN-GXTWGEPZSA-N 1 3 312.458 0.288 20 0 DCADHO Cn1cncc1CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001366071431 953648538 /nfs/dbraw/zinc/64/85/38/953648538.db2.gz ZGNPVSBMNCCZPC-OAHLLOKOSA-N 1 3 317.437 0.500 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)nc2)C1)N(C)C ZINC001366134990 953727005 /nfs/dbraw/zinc/72/70/05/953727005.db2.gz MRVUPAFAMADOOK-RBSFLKMASA-N 1 3 305.426 0.862 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCN3CCN(C)CC3)C[N@@H+]2C1 ZINC001346106743 953802396 /nfs/dbraw/zinc/80/23/96/953802396.db2.gz MOBSNTWTKOTLAC-IKGGRYGDSA-N 1 3 322.497 0.861 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCN3CCN(C)CC3)C[N@H+]2C1 ZINC001346106743 953802408 /nfs/dbraw/zinc/80/24/08/953802408.db2.gz MOBSNTWTKOTLAC-IKGGRYGDSA-N 1 3 322.497 0.861 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366195664 953806126 /nfs/dbraw/zinc/80/61/26/953806126.db2.gz KLBCTCCIFUHHJC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366200450 953815386 /nfs/dbraw/zinc/81/53/86/953815386.db2.gz QRZNIZGOHGTAQO-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001283030789 953936532 /nfs/dbraw/zinc/93/65/32/953936532.db2.gz LIBHXVLUHLFXKQ-GJZGRUSLSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CCCC1 ZINC001366286464 953961403 /nfs/dbraw/zinc/96/14/03/953961403.db2.gz LZYAMPNGOLZBEQ-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO Cc1ncc(CN[C@H](C)CNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001366322422 954021750 /nfs/dbraw/zinc/02/17/50/954021750.db2.gz KMJUPXKXFMMPOA-GFCCVEGCSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC1CCC1 ZINC001366346107 954065810 /nfs/dbraw/zinc/06/58/10/954065810.db2.gz OAJOLHZSVRXJRU-ZDUSSCGKSA-N 1 3 322.453 0.093 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001366412584 954168471 /nfs/dbraw/zinc/16/84/71/954168471.db2.gz RUEAYNPBAYWVLM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001366417525 954172541 /nfs/dbraw/zinc/17/25/41/954172541.db2.gz YKLLQHRFSDFWOE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCCCNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC001283286267 954220681 /nfs/dbraw/zinc/22/06/81/954220681.db2.gz GWHFTTVPRDVXIU-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC001348775266 954462841 /nfs/dbraw/zinc/46/28/41/954462841.db2.gz BQXGLXVLFTXBBZ-FHIRATQRSA-N 1 3 322.453 0.173 20 0 DCADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccn(C)c(=O)c1)N(C)C ZINC001366615430 954521192 /nfs/dbraw/zinc/52/11/92/954521192.db2.gz WIEAMOUOKPDCRV-OAHLLOKOSA-N 1 3 322.453 0.664 20 0 DCADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccn(C)c(=O)c1)N(C)C ZINC001366615430 954521202 /nfs/dbraw/zinc/52/12/02/954521202.db2.gz WIEAMOUOKPDCRV-OAHLLOKOSA-N 1 3 322.453 0.664 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(CCn2cccn2)C2CC2)CC[N@@H+]1C ZINC001366748072 954765553 /nfs/dbraw/zinc/76/55/53/954765553.db2.gz XVYTVIBNFKHRLL-GDBMZVCRSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(CCn2cccn2)C2CC2)CC[N@H+]1C ZINC001366748072 954765563 /nfs/dbraw/zinc/76/55/63/954765563.db2.gz XVYTVIBNFKHRLL-GDBMZVCRSA-N 1 3 319.453 0.804 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001366780514 954837486 /nfs/dbraw/zinc/83/74/86/954837486.db2.gz YXKKUVFSPPVNLU-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001366780521 954839959 /nfs/dbraw/zinc/83/99/59/954839959.db2.gz YXKKUVFSPPVNLU-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCNC(=O)[C@H]2CCCN2C)C1 ZINC001349821401 954899183 /nfs/dbraw/zinc/89/91/83/954899183.db2.gz POAGZFSCPPAMTR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCNC(=O)[C@H]2CCCN2C)C1 ZINC001349821401 954899199 /nfs/dbraw/zinc/89/91/99/954899199.db2.gz POAGZFSCPPAMTR-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001366837426 954914806 /nfs/dbraw/zinc/91/48/06/954914806.db2.gz UMDMGAFDJWYYHI-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001367220705 955474068 /nfs/dbraw/zinc/47/40/68/955474068.db2.gz LKJAUAQKIVQWTG-CYBMUJFWSA-N 1 3 308.430 0.238 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cncn1C ZINC001367243421 955516558 /nfs/dbraw/zinc/51/65/58/955516558.db2.gz OELRHBAGHXXKKZ-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001367328516 955647611 /nfs/dbraw/zinc/64/76/11/955647611.db2.gz PRVREZAIMCTCPP-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001367328516 955647614 /nfs/dbraw/zinc/64/76/14/955647614.db2.gz PRVREZAIMCTCPP-AWEZNQCLSA-N 1 3 324.469 0.612 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001285575013 955808484 /nfs/dbraw/zinc/80/84/84/955808484.db2.gz MRYPZBGPMNAVIF-XHPSBEMXSA-N 1 3 324.469 0.601 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001353279090 955999507 /nfs/dbraw/zinc/99/95/07/955999507.db2.gz TVKBRKSHWOSRRU-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001353352701 956030842 /nfs/dbraw/zinc/03/08/42/956030842.db2.gz GFBYFMQJEBPZPE-QGZVFWFLSA-N 1 3 323.485 0.552 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001356226694 956802291 /nfs/dbraw/zinc/80/22/91/956802291.db2.gz AKSGCEXJJURVKR-FATRXAOVSA-N 1 3 307.438 0.456 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN(CC)CC)CC[N@@H+]1C ZINC001292779157 957148489 /nfs/dbraw/zinc/14/84/89/957148489.db2.gz PWGWODIKXMOTEJ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CN(CC)CC)CC[N@H+]1C ZINC001292779157 957148493 /nfs/dbraw/zinc/14/84/93/957148493.db2.gz PWGWODIKXMOTEJ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO [NH3+]CCNCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001357391255 957267944 /nfs/dbraw/zinc/26/79/44/957267944.db2.gz GMLBCLGWKDAVMM-UHFFFAOYSA-N 1 3 320.437 0.378 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CCCC[NH+](C)C)C1 ZINC001297106075 958137845 /nfs/dbraw/zinc/13/78/45/958137845.db2.gz AUUQICLLQORYGJ-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](C[NH2+]C[C@H]1CCc2ncnn21)NC(=O)C1(N(C)C)CCC1 ZINC001367673882 958329605 /nfs/dbraw/zinc/32/96/05/958329605.db2.gz JKOOWELVIZGUDD-CHWSQXEVSA-N 1 3 320.441 0.344 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)c2nn(C)cc2C)C1=O ZINC001367674101 958330672 /nfs/dbraw/zinc/33/06/72/958330672.db2.gz XJIDRQSMWISSSR-VXGBXAGGSA-N 1 3 307.398 0.057 20 0 DCADHO C[C@H](C[NH2+]Cc1ccc(CO)cc1)NC(=O)C[C@@H](C)NC(N)=O ZINC001367674326 958332015 /nfs/dbraw/zinc/33/20/15/958332015.db2.gz ZDHQLHJUAQYPOX-VXGBXAGGSA-N 1 3 322.409 0.220 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)N[C@@H](C)C(N)=O ZINC001376773239 958795880 /nfs/dbraw/zinc/79/58/80/958795880.db2.gz KFCHJQNBGMNKRW-STQMWFEESA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)N(C)C2CC2)CCC1)N(C)C ZINC001376805958 958885358 /nfs/dbraw/zinc/88/53/58/958885358.db2.gz ASJHBESOQMCSAH-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001491685744 959051089 /nfs/dbraw/zinc/05/10/89/959051089.db2.gz YXBWAMANTQSZOG-GFCCVEGCSA-N 1 3 300.447 0.336 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC001368007538 959080173 /nfs/dbraw/zinc/08/01/73/959080173.db2.gz NUNJQGVLDADOSK-STQMWFEESA-N 1 3 310.442 0.042 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001376902719 959104322 /nfs/dbraw/zinc/10/43/22/959104322.db2.gz VJFXVBIIETVEJR-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO Cc1noc(CCC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)C2)n1 ZINC001491772610 959208095 /nfs/dbraw/zinc/20/80/95/959208095.db2.gz TZEOCILCQUKNDY-AWEZNQCLSA-N 1 3 323.441 0.841 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376965657 959214357 /nfs/dbraw/zinc/21/43/57/959214357.db2.gz NWCMTQVBLTZBCQ-CHWSQXEVSA-N 1 3 321.425 0.305 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC)C[C@@H]1C ZINC001368111179 959263205 /nfs/dbraw/zinc/26/32/05/959263205.db2.gz WMCQLJBAMVREBL-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001368122669 959285340 /nfs/dbraw/zinc/28/53/40/959285340.db2.gz NFGLZUWZWUABCE-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCN2C)cn1 ZINC001377009388 959302521 /nfs/dbraw/zinc/30/25/21/959302521.db2.gz FBTPJBFBXVCAEE-IUODEOHRSA-N 1 3 305.426 0.864 20 0 DCADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCN2C)ncn1 ZINC001377010329 959309254 /nfs/dbraw/zinc/30/92/54/959309254.db2.gz HAOUDPQLURAZFW-DOMZBBRYSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001368196286 959434474 /nfs/dbraw/zinc/43/44/74/959434474.db2.gz NZGLDABRRPWSAW-ZBFHGGJFSA-N 1 3 322.457 0.484 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368251531 959518494 /nfs/dbraw/zinc/51/84/94/959518494.db2.gz PQWHDDPQBZQVNP-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368251531 959518509 /nfs/dbraw/zinc/51/85/09/959518509.db2.gz PQWHDDPQBZQVNP-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001368412290 959826131 /nfs/dbraw/zinc/82/61/31/959826131.db2.gz DSOVRQOUDFZPQE-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001368575145 960050978 /nfs/dbraw/zinc/05/09/78/960050978.db2.gz UHADHAHXTRYRFF-MQMHXKEQSA-N 1 3 322.453 0.234 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001368795776 960283215 /nfs/dbraw/zinc/28/32/15/960283215.db2.gz IWFFNYWGERJSNR-QLFBSQMISA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001368795776 960283220 /nfs/dbraw/zinc/28/32/20/960283220.db2.gz IWFFNYWGERJSNR-QLFBSQMISA-N 1 3 313.442 0.011 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001377596593 960337340 /nfs/dbraw/zinc/33/73/40/960337340.db2.gz ZGQZHDXGDMMWID-QWHCGFSZSA-N 1 3 316.421 0.122 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCn1cccn1 ZINC001377621970 960361668 /nfs/dbraw/zinc/36/16/68/960361668.db2.gz AODJWYIICRLYPP-HOTGVXAUSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCn1cccn1 ZINC001377621970 960361679 /nfs/dbraw/zinc/36/16/79/960361679.db2.gz AODJWYIICRLYPP-HOTGVXAUSA-N 1 3 319.453 0.900 20 0 DCADHO Cc1nc([C@@H](C)N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001377707209 960471324 /nfs/dbraw/zinc/47/13/24/960471324.db2.gz LPPAWYJCUGIMPL-TZMCWYRMSA-N 1 3 322.457 0.954 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)C[C@@H]2[NH3+])cn1 ZINC001548945806 1013195972 /nfs/dbraw/zinc/19/59/72/1013195972.db2.gz SKHNOKGUFAGEGZ-JYJNAYRXSA-N 1 3 319.453 0.971 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCCC1 ZINC001378372358 960667277 /nfs/dbraw/zinc/66/72/77/960667277.db2.gz LCZKZISKTZGILN-ZDUSSCGKSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001378396115 960697118 /nfs/dbraw/zinc/69/71/18/960697118.db2.gz YDAFNSJULYSVNM-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001378396115 960697129 /nfs/dbraw/zinc/69/71/29/960697129.db2.gz YDAFNSJULYSVNM-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001378511743 960902566 /nfs/dbraw/zinc/90/25/66/960902566.db2.gz JXPCXVXRDUQBLX-RFQIPJPRSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H](NC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001378511743 960902584 /nfs/dbraw/zinc/90/25/84/960902584.db2.gz JXPCXVXRDUQBLX-RFQIPJPRSA-N 1 3 310.442 0.171 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001378514089 960907576 /nfs/dbraw/zinc/90/75/76/960907576.db2.gz ANWXVRNBCHQVNY-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1C ZINC001378792867 961488168 /nfs/dbraw/zinc/48/81/68/961488168.db2.gz SKJKQOQFPYPWOJ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001378792838 961489246 /nfs/dbraw/zinc/48/92/46/961489246.db2.gz SKJKQOQFPYPWOJ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378867831 961631421 /nfs/dbraw/zinc/63/14/21/961631421.db2.gz PJPZSMRJRLBZKT-UMVBOHGHSA-N 1 3 312.458 0.193 20 0 DCADHO Cn1cc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)cn1 ZINC001379709318 961822199 /nfs/dbraw/zinc/82/21/99/961822199.db2.gz FMGUVOCFVPEOII-CQSZACIVSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC2CC2)CC[N@@H+]1C ZINC001379130070 962164270 /nfs/dbraw/zinc/16/42/70/962164270.db2.gz JROCCPHSFUQUGI-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC2CC2)CC[N@H+]1C ZINC001379130070 962164285 /nfs/dbraw/zinc/16/42/85/962164285.db2.gz JROCCPHSFUQUGI-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001379128277 962165145 /nfs/dbraw/zinc/16/51/45/962165145.db2.gz FBHTUXQHAHMKFD-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001379128277 962165157 /nfs/dbraw/zinc/16/51/57/962165157.db2.gz FBHTUXQHAHMKFD-GZBFAFLISA-N 1 3 307.442 0.697 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001379871731 962185654 /nfs/dbraw/zinc/18/56/54/962185654.db2.gz LTPOCROBJOFLEO-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001379871731 962185665 /nfs/dbraw/zinc/18/56/65/962185665.db2.gz LTPOCROBJOFLEO-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)C12CC[NH+](CC1)C2 ZINC001379875649 962196757 /nfs/dbraw/zinc/19/67/57/962196757.db2.gz OAZYFVQHVWDPCL-HNNXBMFYSA-N 1 3 318.421 0.086 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001379885665 962209397 /nfs/dbraw/zinc/20/93/97/962209397.db2.gz ZANNXFVXMKARHX-STQMWFEESA-N 1 3 321.412 0.781 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001379218448 962390378 /nfs/dbraw/zinc/39/03/78/962390378.db2.gz IQIVTZAZBJYHFD-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001496084367 962494572 /nfs/dbraw/zinc/49/45/72/962494572.db2.gz ZIJIJRNIJIBCOE-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001379325749 962631059 /nfs/dbraw/zinc/63/10/59/962631059.db2.gz OUYUVRDFHMWUQG-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001380094653 962660946 /nfs/dbraw/zinc/66/09/46/962660946.db2.gz IXRFMROOBIMVOR-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CC[C@H]2CCCO2)CCC1 ZINC001379412089 962867752 /nfs/dbraw/zinc/86/77/52/962867752.db2.gz PVEUHBOWMICGDN-ZIAGYGMSSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001379419671 962883204 /nfs/dbraw/zinc/88/32/04/962883204.db2.gz PDKHYCAAODWBOQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCc1nc([C@@H](C)NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001379424047 962891007 /nfs/dbraw/zinc/89/10/07/962891007.db2.gz ZODPUBPNOJPYKV-VXGBXAGGSA-N 1 3 322.457 0.864 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](CO)NCCC(F)(F)F)[NH+](C)C ZINC001379428545 962903232 /nfs/dbraw/zinc/90/32/32/962903232.db2.gz VFGDRHMZTCKRQY-MNOVXSKESA-N 1 3 313.364 0.592 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](CO)N[C@@H]1CCc2ccc(F)cc21 ZINC001379465766 962983835 /nfs/dbraw/zinc/98/38/35/962983835.db2.gz FJICCNCBGHVCDZ-GDBMZVCRSA-N 1 3 323.412 0.831 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](CO)NCc2ccc(F)cc2)CC1 ZINC001379484113 963029296 /nfs/dbraw/zinc/02/92/96/963029296.db2.gz ZDIMYASTPKMIPE-HNNXBMFYSA-N 1 3 323.412 0.734 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001380321266 963036212 /nfs/dbraw/zinc/03/62/12/963036212.db2.gz FQMSTTFXSWDMDA-GXTWGEPZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccnn2C)[C@H]1C ZINC001379563437 963184267 /nfs/dbraw/zinc/18/42/67/963184267.db2.gz CXKXPCAFPXMGDE-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccnn2C)[C@H]1C ZINC001379563437 963184277 /nfs/dbraw/zinc/18/42/77/963184277.db2.gz CXKXPCAFPXMGDE-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001379590297 963228550 /nfs/dbraw/zinc/22/85/50/963228550.db2.gz ULHAXCFXMQAGCH-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1cncc1CN1C[C@@H]2C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001380655640 963465218 /nfs/dbraw/zinc/46/52/18/963465218.db2.gz AZHWJRFZYQUQGV-KKUMJFAQSA-N 1 3 319.453 0.841 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001380692606 963494822 /nfs/dbraw/zinc/49/48/22/963494822.db2.gz UDCZAOFGLGXAEJ-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2ccn(C)n2)C1 ZINC001380692606 963494825 /nfs/dbraw/zinc/49/48/25/963494825.db2.gz UDCZAOFGLGXAEJ-GJZGRUSLSA-N 1 3 321.469 0.946 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001380844993 963627908 /nfs/dbraw/zinc/62/79/08/963627908.db2.gz VHCKQQVASUTIPO-NSHDSACASA-N 1 3 309.414 0.175 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001381122294 963828156 /nfs/dbraw/zinc/82/81/56/963828156.db2.gz HTQXALMMYZFQLB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001447531016 1013456249 /nfs/dbraw/zinc/45/62/49/1013456249.db2.gz JQYJJWXUODTFNW-APIJFGDWSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001447531016 1013456256 /nfs/dbraw/zinc/45/62/56/1013456256.db2.gz JQYJJWXUODTFNW-APIJFGDWSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC([C@@H]2CCCN(CC(N)=O)C2)CC1 ZINC001381309751 963961725 /nfs/dbraw/zinc/96/17/25/963961725.db2.gz ARHQTAOZNBZMRZ-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001381324192 963971072 /nfs/dbraw/zinc/97/10/72/963971072.db2.gz SXVQWZIFNGVCSA-UHFFFAOYSA-N 1 3 320.441 0.284 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001447536544 1013459873 /nfs/dbraw/zinc/45/98/73/1013459873.db2.gz CZAIZVWCVJHDCJ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001375253528 964173523 /nfs/dbraw/zinc/17/35/23/964173523.db2.gz CAXLQPWOPQHLRC-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H](C(=O)NCC1(N[C@H]2CCCNC2=O)CC1)[NH+](CC)CC ZINC001375481066 964457743 /nfs/dbraw/zinc/45/77/43/964457743.db2.gz FNAOMAZIKVOEAZ-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001369187208 964502290 /nfs/dbraw/zinc/50/22/90/964502290.db2.gz RHAOOTHPXHKZKK-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001369187208 964502298 /nfs/dbraw/zinc/50/22/98/964502298.db2.gz RHAOOTHPXHKZKK-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001369210461 964529596 /nfs/dbraw/zinc/52/95/96/964529596.db2.gz USCZIPRTECECHI-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)C)N(C)C ZINC001369258673 964612473 /nfs/dbraw/zinc/61/24/73/964612473.db2.gz GPKYXVYYIRZAEI-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001369301852 964684773 /nfs/dbraw/zinc/68/47/73/964684773.db2.gz AZJDSVLWXOICFT-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375711349 964747272 /nfs/dbraw/zinc/74/72/72/964747272.db2.gz KPNAXBYGRQEVIP-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375711349 964747279 /nfs/dbraw/zinc/74/72/79/964747279.db2.gz KPNAXBYGRQEVIP-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374042043 964931085 /nfs/dbraw/zinc/93/10/85/964931085.db2.gz KQTITHHLXNOLJS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374042043 964931091 /nfs/dbraw/zinc/93/10/91/964931091.db2.gz KQTITHHLXNOLJS-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@H]2CCCNC2=O)C(C)(C)C1 ZINC001369445676 964989016 /nfs/dbraw/zinc/98/90/16/964989016.db2.gz MXJAMTCOVUYALE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001374214029 965143211 /nfs/dbraw/zinc/14/32/11/965143211.db2.gz ADMWPZUGZXNDBZ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001374214029 965143214 /nfs/dbraw/zinc/14/32/14/965143214.db2.gz ADMWPZUGZXNDBZ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001374246114 965181511 /nfs/dbraw/zinc/18/15/11/965181511.db2.gz CLZNIOSKTORXIT-UKRRQHHQSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@@H](C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1)OC ZINC001376094339 965188844 /nfs/dbraw/zinc/18/88/44/965188844.db2.gz KXSYJBXLBAKWEQ-HOCLYGCPSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1)OC ZINC001376094339 965188851 /nfs/dbraw/zinc/18/88/51/965188851.db2.gz KXSYJBXLBAKWEQ-HOCLYGCPSA-N 1 3 315.458 0.305 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001376113321 965212255 /nfs/dbraw/zinc/21/22/55/965212255.db2.gz IRTJNTOXTVCBMD-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCCC1)C1CCC1 ZINC001374364156 965313269 /nfs/dbraw/zinc/31/32/69/965313269.db2.gz KWILDVGPACMQKL-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C1CC1 ZINC001376253916 965441681 /nfs/dbraw/zinc/44/16/81/965441681.db2.gz UGIKHSJXJJCXFR-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001376266731 965457851 /nfs/dbraw/zinc/45/78/51/965457851.db2.gz AQMNCQIIRQNBHI-KGLIPLIRSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001374562119 965538933 /nfs/dbraw/zinc/53/89/33/965538933.db2.gz OCXUPGMHTRCOLJ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)N(C)C)C1 ZINC001374562119 965538944 /nfs/dbraw/zinc/53/89/44/965538944.db2.gz OCXUPGMHTRCOLJ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001374562115 965540725 /nfs/dbraw/zinc/54/07/25/965540725.db2.gz OCXUPGMHTRCOLJ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)N(C)C)C1 ZINC001374562115 965540731 /nfs/dbraw/zinc/54/07/31/965540731.db2.gz OCXUPGMHTRCOLJ-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCCN1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001369919003 965562195 /nfs/dbraw/zinc/56/21/95/965562195.db2.gz VOOMIXZIUPZYFL-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)NC1CC1 ZINC001376396528 965608826 /nfs/dbraw/zinc/60/88/26/965608826.db2.gz KFKABMQDKIOTIQ-NEBZKDRISA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001376418771 965636279 /nfs/dbraw/zinc/63/62/79/965636279.db2.gz PGIATVFUTCUOLO-MCIONIFRSA-N 1 3 306.410 0.503 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001376418771 965636298 /nfs/dbraw/zinc/63/62/98/965636298.db2.gz PGIATVFUTCUOLO-MCIONIFRSA-N 1 3 306.410 0.503 20 0 DCADHO CC[C@@H](F)CNC[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001374614153 965641200 /nfs/dbraw/zinc/64/12/00/965641200.db2.gz GNDHWJVLJUIMPD-KGLIPLIRSA-N 1 3 315.433 0.677 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC1CC1)N1CCCCC1 ZINC001374686558 965758401 /nfs/dbraw/zinc/75/84/01/965758401.db2.gz VAMFJASOZPKGDR-CVEARBPZSA-N 1 3 311.470 0.974 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001374729928 965829220 /nfs/dbraw/zinc/82/92/20/965829220.db2.gz OHDREQWRLJKYMZ-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21)N(C)C ZINC001376652773 965939103 /nfs/dbraw/zinc/93/91/03/965939103.db2.gz WYVGMKFZBDDZKY-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21)N(C)C ZINC001376652773 965939117 /nfs/dbraw/zinc/93/91/17/965939117.db2.gz WYVGMKFZBDDZKY-AALSBFMBSA-N 1 3 309.454 0.942 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001374849007 966027231 /nfs/dbraw/zinc/02/72/31/966027231.db2.gz JULKWLMWOUJMNH-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001374887184 966094456 /nfs/dbraw/zinc/09/44/56/966094456.db2.gz RWROEOSQBJHONQ-KBPBESRZSA-N 1 3 315.458 0.353 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001374895268 966106704 /nfs/dbraw/zinc/10/67/04/966106704.db2.gz RICHTEDIFSRYFG-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001376748847 966112833 /nfs/dbraw/zinc/11/28/33/966112833.db2.gz RZRCTHBCQLSSOS-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001376748847 966112842 /nfs/dbraw/zinc/11/28/42/966112842.db2.gz RZRCTHBCQLSSOS-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001376769290 966142657 /nfs/dbraw/zinc/14/26/57/966142657.db2.gz GCVUYOFNIQCNLV-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001370522327 966208774 /nfs/dbraw/zinc/20/87/74/966208774.db2.gz LMGAFPNPXJTRAJ-KKUMJFAQSA-N 1 3 320.437 0.462 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCc1cnnn1C ZINC001447907332 1013640351 /nfs/dbraw/zinc/64/03/51/1013640351.db2.gz ROVOHQOOXFSYJB-NWDGAFQWSA-N 1 3 308.430 0.140 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001447913140 1013644519 /nfs/dbraw/zinc/64/45/19/1013644519.db2.gz XVLPGQGTMYHGLN-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnc(C)nc2)C1)N(C)C ZINC001370677758 966367731 /nfs/dbraw/zinc/36/77/31/966367731.db2.gz MRVUPAFAMADOOK-ZNMIVQPWSA-N 1 3 305.426 0.862 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001370934469 966598643 /nfs/dbraw/zinc/59/86/43/966598643.db2.gz VRXRMFOFEPKOQB-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001381740328 966658183 /nfs/dbraw/zinc/65/81/83/966658183.db2.gz YCMYKKXVOKWADK-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001381740328 966658188 /nfs/dbraw/zinc/65/81/88/966658188.db2.gz YCMYKKXVOKWADK-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001371207860 966813807 /nfs/dbraw/zinc/81/38/07/966813807.db2.gz YYSQOXPEHQOFAD-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCc1cncn1C ZINC001382093049 966933132 /nfs/dbraw/zinc/93/31/32/966933132.db2.gz KBFKBXVKTYLWJO-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001371379038 966945073 /nfs/dbraw/zinc/94/50/73/966945073.db2.gz QNAZTKUQBCIDGO-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382165561 966998935 /nfs/dbraw/zinc/99/89/35/966998935.db2.gz VFWWBSLCLQTPII-JSGCOSHPSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382165561 966998937 /nfs/dbraw/zinc/99/89/37/966998937.db2.gz VFWWBSLCLQTPII-JSGCOSHPSA-N 1 3 307.442 0.617 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCCN(C)C1=O ZINC001371468111 967017684 /nfs/dbraw/zinc/01/76/84/967017684.db2.gz TZMJJXCMPXRMDS-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001371607598 967167413 /nfs/dbraw/zinc/16/74/13/967167413.db2.gz BPPVIKJEHBLRPP-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001448036256 1013728744 /nfs/dbraw/zinc/72/87/44/1013728744.db2.gz IZQVMKIMDVIVLC-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001448036256 1013728749 /nfs/dbraw/zinc/72/87/49/1013728749.db2.gz IZQVMKIMDVIVLC-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001382562878 967500779 /nfs/dbraw/zinc/50/07/79/967500779.db2.gz DQHDVZOTTXXLDU-RUXDESIVSA-N 1 3 310.442 0.138 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001382585753 967520561 /nfs/dbraw/zinc/52/05/61/967520561.db2.gz DMWDWKPMAAQAOV-NRXISQOPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1)N(C)C ZINC001382587913 967523053 /nfs/dbraw/zinc/52/30/53/967523053.db2.gz FLAUFWZLHSVSBH-JXQTWKCFSA-N 1 3 308.430 0.197 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1ccnn1C ZINC001371999938 967534819 /nfs/dbraw/zinc/53/48/19/967534819.db2.gz ZYWSFMSPGMBSDU-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1ccnn1C ZINC001371999938 967534824 /nfs/dbraw/zinc/53/48/24/967534824.db2.gz ZYWSFMSPGMBSDU-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001372070933 967622879 /nfs/dbraw/zinc/62/28/79/967622879.db2.gz LVDXKOHKDPKZNU-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001372070933 967622885 /nfs/dbraw/zinc/62/28/85/967622885.db2.gz LVDXKOHKDPKZNU-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001372255201 967799742 /nfs/dbraw/zinc/79/97/42/967799742.db2.gz OOAMKAMNLNPTPQ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001372624599 968190075 /nfs/dbraw/zinc/19/00/75/968190075.db2.gz DZNANUWZUIVHKU-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001372624599 968190079 /nfs/dbraw/zinc/19/00/79/968190079.db2.gz DZNANUWZUIVHKU-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001372646550 968213410 /nfs/dbraw/zinc/21/34/10/968213410.db2.gz GYKKOTYCKDLOEI-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001430903748 1013787803 /nfs/dbraw/zinc/78/78/03/1013787803.db2.gz ZWWGWKJFTMZZIR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001372934567 968543920 /nfs/dbraw/zinc/54/39/20/968543920.db2.gz MNLBUYSKRUQRBT-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001372955272 968565427 /nfs/dbraw/zinc/56/54/27/968565427.db2.gz WHUJCQQXCUESIP-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001373012635 968626213 /nfs/dbraw/zinc/62/62/13/968626213.db2.gz HOILXPGMGOGPEF-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001373012635 968626214 /nfs/dbraw/zinc/62/62/14/968626214.db2.gz HOILXPGMGOGPEF-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001373089381 968703522 /nfs/dbraw/zinc/70/35/22/968703522.db2.gz QAQSQGIBAVMFCE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001373089381 968703538 /nfs/dbraw/zinc/70/35/38/968703538.db2.gz QAQSQGIBAVMFCE-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](O)CCCN1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001448331648 1013874273 /nfs/dbraw/zinc/87/42/73/1013874273.db2.gz VDKOTZVNMJUIPN-KBPBESRZSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001448432232 1013911014 /nfs/dbraw/zinc/91/10/14/1013911014.db2.gz UEBRLUJANPSEFQ-TUVASFSCSA-N 1 3 324.469 0.099 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001448670614 1013990300 /nfs/dbraw/zinc/99/03/00/1013990300.db2.gz AUWZRLUANPUMPG-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCCC1 ZINC001448777446 1014034607 /nfs/dbraw/zinc/03/46/07/1014034607.db2.gz VFXVXTYIYIZDKZ-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)CN1CCC(C)CC1 ZINC001449017387 1014135150 /nfs/dbraw/zinc/13/51/50/1014135150.db2.gz JCZUDLJYUUYETC-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001549174572 1014163811 /nfs/dbraw/zinc/16/38/11/1014163811.db2.gz DOPIEMCAIGTBIQ-HUUCEWRRSA-N 1 3 302.378 0.573 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC001549294457 1014203000 /nfs/dbraw/zinc/20/30/00/1014203000.db2.gz KDIPYTSWXXGXJY-JKSUJKDBSA-N 1 3 318.421 0.133 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001550063430 1014542791 /nfs/dbraw/zinc/54/27/91/1014542791.db2.gz RPRMCQCRIBRZIJ-HIFRSBDPSA-N 1 3 321.425 0.237 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1C[C@H]([NH3+])[C@H](c2ccccc2F)C1 ZINC001550064289 1014542989 /nfs/dbraw/zinc/54/29/89/1014542989.db2.gz BQOMCMOFAQJVJL-JSGCOSHPSA-N 1 3 317.368 0.585 20 0 DCADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001550076535 1014552083 /nfs/dbraw/zinc/55/20/83/1014552083.db2.gz WPOPUYACIRQZAX-QBPKDAKJSA-N 1 3 315.417 0.721 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC001550085419 1014557165 /nfs/dbraw/zinc/55/71/65/1014557165.db2.gz HMIMFBZLTVLSOG-HNNXBMFYSA-N 1 3 308.470 0.520 20 0 DCADHO CO[C@H]1C[C@H](CN(C)C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C1 ZINC001550278983 1014647351 /nfs/dbraw/zinc/64/73/51/1014647351.db2.gz GGMQRJCRFUBTQX-BMRXWSCTSA-N 1 3 324.469 0.878 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001550290476 1014654652 /nfs/dbraw/zinc/65/46/52/1014654652.db2.gz LCLXEBXLFWWPRB-HRCADAONSA-N 1 3 300.406 0.704 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550722243 1014817600 /nfs/dbraw/zinc/81/76/00/1014817600.db2.gz GDNYVEATANVACY-YHUYYLMFSA-N 1 3 301.390 0.337 20 0 DCADHO [NH3+][C@@H]1CCOC[C@H]1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC001550733468 1014824124 /nfs/dbraw/zinc/82/41/24/1014824124.db2.gz HFJCAEDXNJWEGU-RBSFLKMASA-N 1 3 304.394 0.289 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755914 1014841914 /nfs/dbraw/zinc/84/19/14/1014841914.db2.gz MZQPRGQEFNGYPH-MJBXVCDLSA-N 1 3 310.442 0.537 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550759685 1014851096 /nfs/dbraw/zinc/85/10/96/1014851096.db2.gz HHSZHGCHESCPRO-HUUCEWRRSA-N 1 3 324.469 0.929 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550912827 1014910642 /nfs/dbraw/zinc/91/06/42/1014910642.db2.gz LFOWZJVCGHOEMA-NORZTCDRSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)NC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001383423644 984826940 /nfs/dbraw/zinc/82/69/40/984826940.db2.gz FEKYDDPUCUWTBB-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)NC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001383423644 984826958 /nfs/dbraw/zinc/82/69/58/984826958.db2.gz FEKYDDPUCUWTBB-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[NH2+]C[C@@H]1NC(=O)NC1CCC(C)(N2CCOCC2)CC1 ZINC001551495207 1015116953 /nfs/dbraw/zinc/11/69/53/1015116953.db2.gz BKFKXLIJHZNHNG-BOLLXYOYSA-N 1 3 324.469 0.927 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001531247921 1015121209 /nfs/dbraw/zinc/12/12/09/1015121209.db2.gz SEZBJCLDYUAWFQ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001531247921 1015121215 /nfs/dbraw/zinc/12/12/15/1015121215.db2.gz SEZBJCLDYUAWFQ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001551508693 1015122688 /nfs/dbraw/zinc/12/26/88/1015122688.db2.gz RSVCVNJGJDXJBG-LUYZLQTOSA-N 1 3 316.405 0.072 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001384532930 985644518 /nfs/dbraw/zinc/64/45/18/985644518.db2.gz HCKAYTSLLSFJLR-KBXIAJHMSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001384532930 985644523 /nfs/dbraw/zinc/64/45/23/985644523.db2.gz HCKAYTSLLSFJLR-KBXIAJHMSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001384988730 986005537 /nfs/dbraw/zinc/00/55/37/986005537.db2.gz JKGHMRHKSFRUBM-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001385219928 986165680 /nfs/dbraw/zinc/16/56/80/986165680.db2.gz YTUBCJXKQHGDKG-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001385219928 986165687 /nfs/dbraw/zinc/16/56/87/986165687.db2.gz YTUBCJXKQHGDKG-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001385348762 986280303 /nfs/dbraw/zinc/28/03/03/986280303.db2.gz NGCRBSQGLIEFDC-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001385348762 986280313 /nfs/dbraw/zinc/28/03/13/986280313.db2.gz NGCRBSQGLIEFDC-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001385895789 986664420 /nfs/dbraw/zinc/66/44/20/986664420.db2.gz PEMSNOSESXMFFK-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001385895789 986664424 /nfs/dbraw/zinc/66/44/24/986664424.db2.gz PEMSNOSESXMFFK-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001385937885 986697556 /nfs/dbraw/zinc/69/75/56/986697556.db2.gz AYEDERFWFZROPJ-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001385937885 986697559 /nfs/dbraw/zinc/69/75/59/986697559.db2.gz AYEDERFWFZROPJ-AJNGGQMLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386005830 986748600 /nfs/dbraw/zinc/74/86/00/986748600.db2.gz DXGNPVCWCQOVFL-KBXIAJHMSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386005830 986748611 /nfs/dbraw/zinc/74/86/11/986748611.db2.gz DXGNPVCWCQOVFL-KBXIAJHMSA-N 1 3 324.469 0.288 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001386013082 986753003 /nfs/dbraw/zinc/75/30/03/986753003.db2.gz GWPFZPHVLVOVKL-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001552119600 1015280208 /nfs/dbraw/zinc/28/02/08/1015280208.db2.gz PXTMGQHDHCKMKM-SLBVQIDZSA-N 1 3 322.453 0.510 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001552119600 1015280211 /nfs/dbraw/zinc/28/02/11/1015280211.db2.gz PXTMGQHDHCKMKM-SLBVQIDZSA-N 1 3 322.453 0.510 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001387133705 987652020 /nfs/dbraw/zinc/65/20/20/987652020.db2.gz IMXUDOWEEWSRGA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001387133705 987652022 /nfs/dbraw/zinc/65/20/22/987652022.db2.gz IMXUDOWEEWSRGA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CCC[C@H]1C ZINC001526727547 1015328148 /nfs/dbraw/zinc/32/81/48/1015328148.db2.gz CEKRXSJYNHVUJQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N(CC)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001387260577 987737178 /nfs/dbraw/zinc/73/71/78/987737178.db2.gz HQKQZWCCMWBCBU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N(C)[C@@H]2CCN(C)C2)cnn1C ZINC001552215796 1015332233 /nfs/dbraw/zinc/33/22/33/1015332233.db2.gz LWYCONLOSSMLHK-SNPRPXQTSA-N 1 3 305.426 0.194 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001387465385 987849158 /nfs/dbraw/zinc/84/91/58/987849158.db2.gz CEHRGYDAMUKAFA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001387465385 987849163 /nfs/dbraw/zinc/84/91/63/987849163.db2.gz CEHRGYDAMUKAFA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(Cc1n[nH]c([C@@H]2C[C@H](F)CN2)n1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC001552257249 1015354163 /nfs/dbraw/zinc/35/41/63/1015354163.db2.gz LBFYVAMKSHNMME-WOPDTQHZSA-N 1 3 324.404 0.525 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001388184659 988124654 /nfs/dbraw/zinc/12/46/54/988124654.db2.gz GMYVFSRVQKAJHH-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1)N(C)C ZINC001387782221 988145538 /nfs/dbraw/zinc/14/55/38/988145538.db2.gz XETXVXNNXQCUQM-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001387960765 988331424 /nfs/dbraw/zinc/33/14/24/988331424.db2.gz VZRDPAOWIJGYKU-ILXRZTDVSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001387960765 988331437 /nfs/dbraw/zinc/33/14/37/988331437.db2.gz VZRDPAOWIJGYKU-ILXRZTDVSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)C1(N(C)C)CCC1 ZINC001388458443 988332470 /nfs/dbraw/zinc/33/24/70/988332470.db2.gz SNAYOWWUEZEDGF-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)N(C)C ZINC001388558036 988402874 /nfs/dbraw/zinc/40/28/74/988402874.db2.gz ZLNFUISQOLGZTG-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001388745122 988555130 /nfs/dbraw/zinc/55/51/30/988555130.db2.gz LARNLVZXSNYTNA-SHTZXODSSA-N 1 3 321.469 0.787 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C ZINC001388765945 988572131 /nfs/dbraw/zinc/57/21/31/988572131.db2.gz JGCPTOGIHYDXKX-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCN2CCC[C@@H]2C1 ZINC001552435093 1015433700 /nfs/dbraw/zinc/43/37/00/1015433700.db2.gz AKELSSOISSKJOE-CYBMUJFWSA-N 1 3 304.398 0.123 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)CCC[NH+](C)C)N(C)C ZINC001389761707 989549300 /nfs/dbraw/zinc/54/93/00/989549300.db2.gz LUFPDXMHGZKRJK-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1CCCC[C@H]1n1cc(C(=O)N2CCN3CCC[C@H]3C2)nn1 ZINC001552695521 1015495544 /nfs/dbraw/zinc/49/55/44/1015495544.db2.gz DWJLPYRPZLPYLZ-GZBFAFLISA-N 1 3 318.425 0.641 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001389901695 989672255 /nfs/dbraw/zinc/67/22/55/989672255.db2.gz STFNOAXAZDIQSR-SYQHCUMBSA-N 1 3 320.441 0.342 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCc1cnnn1C ZINC001390165506 989882414 /nfs/dbraw/zinc/88/24/14/989882414.db2.gz WJOOIGTYLJDAGU-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCc1cnnn1C ZINC001390165506 989882419 /nfs/dbraw/zinc/88/24/19/989882419.db2.gz WJOOIGTYLJDAGU-AWEZNQCLSA-N 1 3 322.457 0.628 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001390472528 990130987 /nfs/dbraw/zinc/13/09/87/990130987.db2.gz BNOVLPUFTDFFHO-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC(=O)N(C)C ZINC001390494769 990149853 /nfs/dbraw/zinc/14/98/53/990149853.db2.gz PUGSHICLZRWFNU-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001390511492 990161959 /nfs/dbraw/zinc/16/19/59/990161959.db2.gz PWLIGDVHHPHEOY-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001390511492 990161965 /nfs/dbraw/zinc/16/19/65/990161965.db2.gz PWLIGDVHHPHEOY-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001390536512 990182975 /nfs/dbraw/zinc/18/29/75/990182975.db2.gz RQELFVLGJMEOFQ-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1)CC(C)(C)C ZINC001390564105 990201634 /nfs/dbraw/zinc/20/16/34/990201634.db2.gz MMCGBZDYTXEQCO-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001390569867 990205826 /nfs/dbraw/zinc/20/58/26/990205826.db2.gz BQTPRNDUFUQJFB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001390569867 990205829 /nfs/dbraw/zinc/20/58/29/990205829.db2.gz BQTPRNDUFUQJFB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001390610755 990244099 /nfs/dbraw/zinc/24/40/99/990244099.db2.gz JESXOUCDPDCDGJ-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001391112577 990597271 /nfs/dbraw/zinc/59/72/71/990597271.db2.gz OQAPPGSVKLJHOG-CVEARBPZSA-N 1 3 321.469 0.907 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001391112577 990597278 /nfs/dbraw/zinc/59/72/78/990597278.db2.gz OQAPPGSVKLJHOG-CVEARBPZSA-N 1 3 321.469 0.907 20 0 DCADHO CC[C@H]([NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001391227532 990686903 /nfs/dbraw/zinc/68/69/03/990686903.db2.gz UIORAVHENOARNX-HNNXBMFYSA-N 1 3 320.437 0.674 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCNC1=O ZINC001391696034 991107241 /nfs/dbraw/zinc/10/72/41/991107241.db2.gz LHHPGCVYKAEMAL-UONOGXRCSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]([NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1)C(N)=O ZINC001391774744 991173628 /nfs/dbraw/zinc/17/36/28/991173628.db2.gz VZNFMPLDHHXEFM-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1CCCC[C@]1(CNCC(N)=O)NC(=O)CCC[NH+](C)C ZINC001391804158 991193603 /nfs/dbraw/zinc/19/36/03/991193603.db2.gz FWRATKXXGDJDLQ-XJKSGUPXSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001391898967 991276180 /nfs/dbraw/zinc/27/61/80/991276180.db2.gz JYLDJPFWFCPCAC-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392060074 991450577 /nfs/dbraw/zinc/45/05/77/991450577.db2.gz KARGCFGKOWAURW-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001392100129 991490696 /nfs/dbraw/zinc/49/06/96/991490696.db2.gz MMIINWMDDDTXSN-NWDGAFQWSA-N 1 3 300.447 0.275 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001392100122 991491115 /nfs/dbraw/zinc/49/11/15/991491115.db2.gz MMIINWMDDDTXSN-NEPJUHHUSA-N 1 3 300.447 0.275 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccnn1C)C(C)C)N(C)C ZINC001392241905 991645550 /nfs/dbraw/zinc/64/55/50/991645550.db2.gz FGWSAICPNZMIOQ-CABCVRRESA-N 1 3 309.458 0.991 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001392306111 991728487 /nfs/dbraw/zinc/72/84/87/991728487.db2.gz XFYQCQASEWTWTC-UHFFFAOYSA-N 1 3 321.469 0.695 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1cnns1 ZINC001392349521 991788937 /nfs/dbraw/zinc/78/89/37/991788937.db2.gz WIJMPRFHLJFVLQ-YPMHNXCESA-N 1 3 311.455 0.864 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001392425215 991912646 /nfs/dbraw/zinc/91/26/46/991912646.db2.gz PFJCKJCYDQBKNM-HNNXBMFYSA-N 1 3 318.421 0.053 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392488095 991994997 /nfs/dbraw/zinc/99/49/97/991994997.db2.gz SRXKIWXVGRWAAO-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001392575951 992117083 /nfs/dbraw/zinc/11/70/83/992117083.db2.gz UNAPSJBTKUWIPD-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001392596722 992140734 /nfs/dbraw/zinc/14/07/34/992140734.db2.gz VTTGZRSOVLMDST-NWDGAFQWSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001392897388 992515828 /nfs/dbraw/zinc/51/58/28/992515828.db2.gz WGVPTJOJQYRWFH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001392897388 992515834 /nfs/dbraw/zinc/51/58/34/992515834.db2.gz WGVPTJOJQYRWFH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001393031388 992637628 /nfs/dbraw/zinc/63/76/28/992637628.db2.gz CYQZSTZELKGIFF-OLZOCXBDSA-N 1 3 321.425 0.446 20 0 DCADHO C[C@H]1C[C@H](NCc2ccn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001393038696 992644251 /nfs/dbraw/zinc/64/42/51/992644251.db2.gz PWDZZBBVTKVVIM-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@]1(C[NH2+]C[C@H]2CCOC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393168381 992725635 /nfs/dbraw/zinc/72/56/35/992725635.db2.gz WQUZNAPCSQFZBQ-CJNGLKHVSA-N 1 3 306.410 0.817 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCn2cncn2)C1 ZINC001393400114 992947543 /nfs/dbraw/zinc/94/75/43/992947543.db2.gz VUSGTRJKWXRNDS-HUUCEWRRSA-N 1 3 322.457 0.447 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001393862289 993305036 /nfs/dbraw/zinc/30/50/36/993305036.db2.gz UBVMITVQXUPAIY-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001394067872 993452394 /nfs/dbraw/zinc/45/23/94/993452394.db2.gz PWGVNPKRBMMGFQ-ZFWWWQNUSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001394067872 993452398 /nfs/dbraw/zinc/45/23/98/993452398.db2.gz PWGVNPKRBMMGFQ-ZFWWWQNUSA-N 1 3 324.469 0.194 20 0 DCADHO C[C@@H](NCc1cnn(C)c1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001394324957 993622544 /nfs/dbraw/zinc/62/25/44/993622544.db2.gz CMLVYJMBQQVYAH-UKRRQHHQSA-N 1 3 323.441 0.077 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1)C(N)=O ZINC001394437585 993704622 /nfs/dbraw/zinc/70/46/22/993704622.db2.gz XXFDBOBROCGFNI-RISCZKNCSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001394504248 993778511 /nfs/dbraw/zinc/77/85/11/993778511.db2.gz XXUXVBMUSMDCLB-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nc([C@H](C)N[C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001394516387 993790782 /nfs/dbraw/zinc/79/07/82/993790782.db2.gz CYQBRIHUAFGSPT-RYUDHWBXSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCc2ccccc2)C1 ZINC001394635638 993945577 /nfs/dbraw/zinc/94/55/77/993945577.db2.gz MNWBQYNIVVOHSQ-WBVHZDCISA-N 1 3 319.449 0.638 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001400001844 994042527 /nfs/dbraw/zinc/04/25/27/994042527.db2.gz HOUVEYAIBTVLEN-UHFFFAOYSA-N 1 3 309.454 0.825 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](N[C@H]2CCCNC2=O)C(C)(C)C1 ZINC001394714414 994048235 /nfs/dbraw/zinc/04/82/35/994048235.db2.gz MLHOMOMOJKUDFM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](N[C@H]2CCCNC2=O)C(C)(C)C1 ZINC001394714414 994048240 /nfs/dbraw/zinc/04/82/40/994048240.db2.gz MLHOMOMOJKUDFM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001400054016 994111753 /nfs/dbraw/zinc/11/17/53/994111753.db2.gz NGQUTUCSQMOENJ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001400054016 994111758 /nfs/dbraw/zinc/11/17/58/994111758.db2.gz NGQUTUCSQMOENJ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001400060521 994116996 /nfs/dbraw/zinc/11/69/96/994116996.db2.gz ZXASLAAGWHBARB-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001400060521 994117001 /nfs/dbraw/zinc/11/70/01/994117001.db2.gz ZXASLAAGWHBARB-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001400060560 994117501 /nfs/dbraw/zinc/11/75/01/994117501.db2.gz APCWOTBBOMEJNV-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001400083823 994142256 /nfs/dbraw/zinc/14/22/56/994142256.db2.gz GMYWATXJMFEIEZ-QWHCGFSZSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001400105065 994158926 /nfs/dbraw/zinc/15/89/26/994158926.db2.gz KOONKYVSKQDUCD-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001394855828 994219342 /nfs/dbraw/zinc/21/93/42/994219342.db2.gz QPIRQENGMMAKEN-IYXRBSQSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001400242540 994330366 /nfs/dbraw/zinc/33/03/66/994330366.db2.gz ACPXPIZPQCWQOW-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001400242540 994330376 /nfs/dbraw/zinc/33/03/76/994330376.db2.gz ACPXPIZPQCWQOW-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO COC[C@H](O)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001400250559 994339287 /nfs/dbraw/zinc/33/92/87/994339287.db2.gz XVMIPKQVGHWSOC-OAHLLOKOSA-N 1 3 324.425 0.130 20 0 DCADHO COC[C@H](O)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001400250559 994339296 /nfs/dbraw/zinc/33/92/96/994339296.db2.gz XVMIPKQVGHWSOC-OAHLLOKOSA-N 1 3 324.425 0.130 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001400487205 994575329 /nfs/dbraw/zinc/57/53/29/994575329.db2.gz TXWFQZGRJRIAOO-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001395580372 994775431 /nfs/dbraw/zinc/77/54/31/994775431.db2.gz AZPXCVHXURXEQB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001395580372 994775444 /nfs/dbraw/zinc/77/54/44/994775444.db2.gz AZPXCVHXURXEQB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001507015264 1015890175 /nfs/dbraw/zinc/89/01/75/1015890175.db2.gz HLCYGCONZGACFE-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C2CC2)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001507022841 1015899683 /nfs/dbraw/zinc/89/96/83/1015899683.db2.gz NWHVQQVPEAXMEJ-FZMZJTMJSA-N 1 3 322.457 0.952 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507037954 1015912328 /nfs/dbraw/zinc/91/23/28/1015912328.db2.gz WSPITWLVGJHNQV-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507037954 1015912333 /nfs/dbraw/zinc/91/23/33/1015912333.db2.gz WSPITWLVGJHNQV-LSDHHAIUSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001396405746 995369984 /nfs/dbraw/zinc/36/99/84/995369984.db2.gz FVBHOPWMVXBWJK-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001396405746 995369994 /nfs/dbraw/zinc/36/99/94/995369994.db2.gz FVBHOPWMVXBWJK-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001492848328 995397751 /nfs/dbraw/zinc/39/77/51/995397751.db2.gz IZCJUPZAWLKISA-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001492848328 995397756 /nfs/dbraw/zinc/39/77/56/995397756.db2.gz IZCJUPZAWLKISA-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)C[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001396481027 995421998 /nfs/dbraw/zinc/42/19/98/995421998.db2.gz NCYJJCVYMHTHMZ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NCC(=O)N(C)C ZINC001507091654 1015976617 /nfs/dbraw/zinc/97/66/17/1015976617.db2.gz XRXNSNLIGNMGIJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001397127265 995812157 /nfs/dbraw/zinc/81/21/57/995812157.db2.gz DOABDZDXHKTIBN-SYQHCUMBSA-N 1 3 310.442 0.090 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397137821 995819161 /nfs/dbraw/zinc/81/91/61/995819161.db2.gz UMUSEVILTKJOAQ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397137821 995819167 /nfs/dbraw/zinc/81/91/67/995819167.db2.gz UMUSEVILTKJOAQ-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCO)C[C@H]1c1ccccc1 ZINC001397149812 995826293 /nfs/dbraw/zinc/82/62/93/995826293.db2.gz QSCOUHNUWXORQH-DLBZAZTESA-N 1 3 319.449 0.905 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001397223143 995873584 /nfs/dbraw/zinc/87/35/84/995873584.db2.gz JYYIXYIBZGDWCZ-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO COCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001397776507 996168832 /nfs/dbraw/zinc/16/88/32/996168832.db2.gz XWJZAEPIUYZAQT-HUUCEWRRSA-N 1 3 313.442 0.012 20 0 DCADHO COCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001397776507 996168833 /nfs/dbraw/zinc/16/88/33/996168833.db2.gz XWJZAEPIUYZAQT-HUUCEWRRSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001507131209 1016012674 /nfs/dbraw/zinc/01/26/74/1016012674.db2.gz XJPIYENXOHXBPO-QWHCGFSZSA-N 1 3 321.425 0.305 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(CC)C1=O ZINC001507149932 1016034198 /nfs/dbraw/zinc/03/41/98/1016034198.db2.gz YNVHGTZYRRYBKL-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1 ZINC001398445691 996519763 /nfs/dbraw/zinc/51/97/63/996519763.db2.gz DZTSDKINYHPEBU-AWEZNQCLSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN(C)C(C)C)C2)CC[N@@H+]1C ZINC001398606704 996601144 /nfs/dbraw/zinc/60/11/44/996601144.db2.gz YPJFJANDGHNXDA-LSDHHAIUSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)CN(C)C(C)C)C2)CC[N@H+]1C ZINC001398606704 996601146 /nfs/dbraw/zinc/60/11/46/996601146.db2.gz YPJFJANDGHNXDA-LSDHHAIUSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502737723 1016047514 /nfs/dbraw/zinc/04/75/14/1016047514.db2.gz BNFJXPYQXLUMGR-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1)N(C)C ZINC001398651226 996621483 /nfs/dbraw/zinc/62/14/83/996621483.db2.gz IGURWZDLUBWPIU-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001398764162 996677066 /nfs/dbraw/zinc/67/70/66/996677066.db2.gz QEYGHHBIIXTLLF-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC2CC2)C1 ZINC001502754022 1016056492 /nfs/dbraw/zinc/05/64/92/1016056492.db2.gz KFQHOZGTICZLSZ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC2CC2)C1 ZINC001502754022 1016056505 /nfs/dbraw/zinc/05/65/05/1016056505.db2.gz KFQHOZGTICZLSZ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)[C@@H](C)C1 ZINC001502754023 1016057183 /nfs/dbraw/zinc/05/71/83/1016057183.db2.gz KFQHOZGTICZLSZ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC2CC2)[C@@H](C)C1 ZINC001502754023 1016057193 /nfs/dbraw/zinc/05/71/93/1016057193.db2.gz KFQHOZGTICZLSZ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001398961103 996776121 /nfs/dbraw/zinc/77/61/21/996776121.db2.gz XSYRJIOBDKEBIC-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](N[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001398969852 996783218 /nfs/dbraw/zinc/78/32/18/996783218.db2.gz GZZUCPCLMDRCCS-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CNC(=O)c1cccc(CN[C@H](C)CNC(=O)CC[NH+](C)C)c1 ZINC001399012079 996827479 /nfs/dbraw/zinc/82/74/79/996827479.db2.gz DQUTZHCBDWFTNG-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001399013680 996830103 /nfs/dbraw/zinc/83/01/03/996830103.db2.gz DRMOLTHKLKHBSC-NEPJUHHUSA-N 1 3 300.447 0.193 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCCCC1 ZINC001399104312 996969864 /nfs/dbraw/zinc/96/98/64/996969864.db2.gz HCCKMJIAYXWPOI-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001399110066 996978723 /nfs/dbraw/zinc/97/87/23/996978723.db2.gz NFJNAEFOWLNEMF-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001404406048 997077498 /nfs/dbraw/zinc/07/74/98/997077498.db2.gz VVRXQNFIELXDJM-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001404406048 997077505 /nfs/dbraw/zinc/07/75/05/997077505.db2.gz VVRXQNFIELXDJM-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001399270812 997145644 /nfs/dbraw/zinc/14/56/44/997145644.db2.gz PRELSZJIGGRETL-LSDHHAIUSA-N 1 3 322.457 0.637 20 0 DCADHO CN(CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1)CC(C)(C)C ZINC001507232071 1016157225 /nfs/dbraw/zinc/15/72/25/1016157225.db2.gz IULZULDAHFLMIW-KBPBESRZSA-N 1 3 315.458 0.068 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001405387901 998181222 /nfs/dbraw/zinc/18/12/22/998181222.db2.gz NMANDGMMWRHQRJ-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001405480415 998263881 /nfs/dbraw/zinc/26/38/81/998263881.db2.gz JVYBBKMCRCGSNX-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)[C@H]1C ZINC001507291677 1016223656 /nfs/dbraw/zinc/22/36/56/1016223656.db2.gz CXBAVYGSGVVKEQ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001507290896 1016223971 /nfs/dbraw/zinc/22/39/71/1016223971.db2.gz RHCIYLGEMBMFMS-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001405759602 998538318 /nfs/dbraw/zinc/53/83/18/998538318.db2.gz VMJHLNGDSYUESU-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CN1C(=O)CC[NH+](C)C ZINC001511284959 1016247324 /nfs/dbraw/zinc/24/73/24/1016247324.db2.gz CXLLFCVCFMBDGW-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001505501947 1016277537 /nfs/dbraw/zinc/27/75/37/1016277537.db2.gz QWEOFUDKAXDODJ-UHFFFAOYSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001505502112 1016277683 /nfs/dbraw/zinc/27/76/83/1016277683.db2.gz WYWGOXZAPWXYPY-HIFPTAJRSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001507428920 1016322391 /nfs/dbraw/zinc/32/23/91/1016322391.db2.gz XBJJCOODVZDEBR-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]([NH2+]CCN1CCCC1=O)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001505625629 1016367368 /nfs/dbraw/zinc/36/73/68/1016367368.db2.gz MFELKRBRXYLGRF-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001401122217 1000210180 /nfs/dbraw/zinc/21/01/80/1000210180.db2.gz YHISIBPPQOAROE-HIFRSBDPSA-N 1 3 309.458 0.848 20 0 DCADHO COC(=O)C[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001418426503 1000212711 /nfs/dbraw/zinc/21/27/11/1000212711.db2.gz LRPBMDLECQLNHN-OLZOCXBDSA-N 1 3 301.431 0.574 20 0 DCADHO COC(=O)C[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001418426503 1000212715 /nfs/dbraw/zinc/21/27/15/1000212715.db2.gz LRPBMDLECQLNHN-OLZOCXBDSA-N 1 3 301.431 0.574 20 0 DCADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001418633504 1000409338 /nfs/dbraw/zinc/40/93/38/1000409338.db2.gz YMJZAIIWHVWKLR-OAHLLOKOSA-N 1 3 307.442 0.495 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)C(=O)N(C)C ZINC001418650465 1000421292 /nfs/dbraw/zinc/42/12/92/1000421292.db2.gz KHGFTGPFQODGOL-BARDWOONSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001418681087 1000445846 /nfs/dbraw/zinc/44/58/46/1000445846.db2.gz GJGXBSHGWJFGEF-HDJSIYSDSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001418707828 1000465245 /nfs/dbraw/zinc/46/52/45/1000465245.db2.gz LWPGQNOTZVDWOI-SHTZXODSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001417074562 1000466480 /nfs/dbraw/zinc/46/64/80/1000466480.db2.gz FOKCRAIZKIQQPP-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001401601900 1000537024 /nfs/dbraw/zinc/53/70/24/1000537024.db2.gz LAITZEJZMNJKBD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC(C)(C)C ZINC001418811013 1000539519 /nfs/dbraw/zinc/53/95/19/1000539519.db2.gz ICWMYQBYYNGMOB-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001418813028 1000542268 /nfs/dbraw/zinc/54/22/68/1000542268.db2.gz KPWGENLAUUWYOP-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401610385 1000547812 /nfs/dbraw/zinc/54/78/12/1000547812.db2.gz RIXVVMOEFIVTHD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001401610385 1000547816 /nfs/dbraw/zinc/54/78/16/1000547816.db2.gz RIXVVMOEFIVTHD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001418823619 1000551606 /nfs/dbraw/zinc/55/16/06/1000551606.db2.gz FEQRATIREYANFA-CQSZACIVSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001401617153 1000554145 /nfs/dbraw/zinc/55/41/45/1000554145.db2.gz HMBSRVWRFVBJOF-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401685242 1000625430 /nfs/dbraw/zinc/62/54/30/1000625430.db2.gz KBQYKUOIILUQIT-LBPRGKRZSA-N 1 3 307.442 0.807 20 0 DCADHO CC(C)N1CC[C@H](NC[C@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001401703196 1000641553 /nfs/dbraw/zinc/64/15/53/1000641553.db2.gz HGUZKZGSLPORJE-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001401718020 1000655045 /nfs/dbraw/zinc/65/50/45/1000655045.db2.gz NGTZHOANUBSMAL-WCQYABFASA-N 1 3 321.425 0.271 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N[C@@H]1CCNC1=O ZINC001419259954 1000927183 /nfs/dbraw/zinc/92/71/83/1000927183.db2.gz IBMHTYKGQVYZNI-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C(=O)CN[C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001419301339 1000959914 /nfs/dbraw/zinc/95/99/14/1000959914.db2.gz UMPFWMWDGWUMLQ-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001402051926 1000975881 /nfs/dbraw/zinc/97/58/81/1000975881.db2.gz AJTWQOLOJPVJIO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001402056757 1000980709 /nfs/dbraw/zinc/98/07/09/1000980709.db2.gz NLXUXGFIOZKMEM-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001402056757 1000980716 /nfs/dbraw/zinc/98/07/16/1000980716.db2.gz NLXUXGFIOZKMEM-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001419405602 1001026090 /nfs/dbraw/zinc/02/60/90/1001026090.db2.gz XUFZOCATMVEKDX-LPWJVIDDSA-N 1 3 316.421 0.038 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001402179212 1001089406 /nfs/dbraw/zinc/08/94/06/1001089406.db2.gz SUUMFZNGJXWPKN-CJNGLKHVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402190992 1001099062 /nfs/dbraw/zinc/09/90/62/1001099062.db2.gz XMJMILMJRWEEMJ-MRXNPFEDSA-N 1 3 321.425 0.305 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001419530169 1001119578 /nfs/dbraw/zinc/11/95/78/1001119578.db2.gz WXYSNXOUXVKDEX-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC001402270335 1001160875 /nfs/dbraw/zinc/16/08/75/1001160875.db2.gz VIYJOYUXMVAOID-DOTOQJQBSA-N 1 3 318.421 0.229 20 0 DCADHO CN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001402270335 1001160877 /nfs/dbraw/zinc/16/08/77/1001160877.db2.gz VIYJOYUXMVAOID-DOTOQJQBSA-N 1 3 318.421 0.229 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001419621666 1001175708 /nfs/dbraw/zinc/17/57/08/1001175708.db2.gz AOZXWWZCWPZDMX-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001419671560 1001211883 /nfs/dbraw/zinc/21/18/83/1001211883.db2.gz HUUTUNOMXZLBNM-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001419671560 1001211887 /nfs/dbraw/zinc/21/18/87/1001211887.db2.gz HUUTUNOMXZLBNM-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCC(=O)N1CCCCC1 ZINC001419820804 1001333338 /nfs/dbraw/zinc/33/33/38/1001333338.db2.gz JHQAOKRLWZWIRB-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001402511970 1001371539 /nfs/dbraw/zinc/37/15/39/1001371539.db2.gz KYNFJANMSFFLNY-UMVBOHGHSA-N 1 3 307.442 0.540 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001402551204 1001401401 /nfs/dbraw/zinc/40/14/01/1001401401.db2.gz YXSKYMWHIBHYSK-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001402551204 1001401403 /nfs/dbraw/zinc/40/14/03/1001401403.db2.gz YXSKYMWHIBHYSK-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001402706889 1001476362 /nfs/dbraw/zinc/47/63/62/1001476362.db2.gz YBOHRSRFOIJAAA-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cnnn1C ZINC001402842759 1001529168 /nfs/dbraw/zinc/52/91/68/1001529168.db2.gz XGWXZEIAZOXINA-ZDUSSCGKSA-N 1 3 324.473 0.777 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001402897429 1001563504 /nfs/dbraw/zinc/56/35/04/1001563504.db2.gz YSCNEZOYAGKKAH-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001402897429 1001563507 /nfs/dbraw/zinc/56/35/07/1001563507.db2.gz YSCNEZOYAGKKAH-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccnn1C ZINC001402995837 1001623537 /nfs/dbraw/zinc/62/35/37/1001623537.db2.gz HRBGJYORUKAONV-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001403009008 1001630525 /nfs/dbraw/zinc/63/05/25/1001630525.db2.gz LIBWISPTPPTMMT-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001403028980 1001639337 /nfs/dbraw/zinc/63/93/37/1001639337.db2.gz TUHILSUFHVROIS-STQMWFEESA-N 1 3 308.430 0.245 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001403079285 1001663969 /nfs/dbraw/zinc/66/39/69/1001663969.db2.gz JEGBFRWFBHOCJK-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001403079285 1001663970 /nfs/dbraw/zinc/66/39/70/1001663970.db2.gz JEGBFRWFBHOCJK-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N[C@H]1CCN(C)C1=O ZINC001403130011 1001687850 /nfs/dbraw/zinc/68/78/50/1001687850.db2.gz FTEMREWXEUYENZ-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1)C1CCC1 ZINC001403181393 1001710536 /nfs/dbraw/zinc/71/05/36/1001710536.db2.gz JXXURNZGTICSIY-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001419975426 1001736812 /nfs/dbraw/zinc/73/68/12/1001736812.db2.gz JCQIAMUIKVBDDT-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCO)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001420038587 1001779300 /nfs/dbraw/zinc/77/93/00/1001779300.db2.gz HGIDBCZAGVDCDQ-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(CCc2cnn(C)c2)C1 ZINC001403315158 1001803476 /nfs/dbraw/zinc/80/34/76/1001803476.db2.gz AJBYCZMEDCVNEU-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(CCc2cnn(C)c2)C1 ZINC001403315158 1001803490 /nfs/dbraw/zinc/80/34/90/1001803490.db2.gz AJBYCZMEDCVNEU-CQSZACIVSA-N 1 3 321.469 0.741 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001424723906 1001954577 /nfs/dbraw/zinc/95/45/77/1001954577.db2.gz GMBNMNZLFUBSRH-UHFFFAOYSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cn(C)nn1 ZINC001403481449 1002013823 /nfs/dbraw/zinc/01/38/23/1002013823.db2.gz APPUSCCBFNWCHY-UKRRQHHQSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cn(C)nn1 ZINC001403481449 1002013832 /nfs/dbraw/zinc/01/38/32/1002013832.db2.gz APPUSCCBFNWCHY-UKRRQHHQSA-N 1 3 322.457 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001403496105 1002033563 /nfs/dbraw/zinc/03/35/63/1002033563.db2.gz WLJVJNPXIZTXMY-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](C(=O)N(C)[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCCCC1 ZINC001403522663 1002068601 /nfs/dbraw/zinc/06/86/01/1002068601.db2.gz HQMAFQSAVRUCDZ-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[N@H+](C)CC ZINC001420248210 1002111472 /nfs/dbraw/zinc/11/14/72/1002111472.db2.gz WVTRRDPBFWEDPJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CC[N@@H+](C)CC ZINC001420248210 1002111477 /nfs/dbraw/zinc/11/14/77/1002111477.db2.gz WVTRRDPBFWEDPJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001420256625 1002123732 /nfs/dbraw/zinc/12/37/32/1002123732.db2.gz WQAADQKZOMPCFW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCc2ccnn2C)CC[N@@H+]1C ZINC001420276915 1002154314 /nfs/dbraw/zinc/15/43/14/1002154314.db2.gz BDHJHQNTIWUVSZ-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCc2ccnn2C)CC[N@H+]1C ZINC001420276915 1002154319 /nfs/dbraw/zinc/15/43/19/1002154319.db2.gz BDHJHQNTIWUVSZ-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001420365944 1002284025 /nfs/dbraw/zinc/28/40/25/1002284025.db2.gz RVIRGJRUOHQBCT-OLZOCXBDSA-N 1 3 308.430 0.202 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)CC[NH+]1CCCCC1 ZINC001420378338 1002311419 /nfs/dbraw/zinc/31/14/19/1002311419.db2.gz SQEAYKOPCYQFED-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001403679065 1002332801 /nfs/dbraw/zinc/33/28/01/1002332801.db2.gz MAOFNAQXPGCCLV-LSDHHAIUSA-N 1 3 311.470 0.974 20 0 DCADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)CCc1ccnn1C ZINC001403703164 1002386541 /nfs/dbraw/zinc/38/65/41/1002386541.db2.gz NYZASPOBUNIBOJ-UHFFFAOYSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]Cc2ccccc2)C1 ZINC001403704516 1002388983 /nfs/dbraw/zinc/38/89/83/1002388983.db2.gz QXPWLEBWJKKVNL-GOEBONIOSA-N 1 3 305.422 0.595 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001505850175 1016613686 /nfs/dbraw/zinc/61/36/86/1016613686.db2.gz MYTIRDFPJVQCDW-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CC(=O)NC[C@H]1CC[N@H+](CCn2cccn2)C1)C1CCC1 ZINC001420534911 1002573900 /nfs/dbraw/zinc/57/39/00/1002573900.db2.gz WFHHIRWJXAAQFI-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1)C1CCC1 ZINC001420534911 1002573906 /nfs/dbraw/zinc/57/39/06/1002573906.db2.gz WFHHIRWJXAAQFI-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC2CC2)C(C)(C)C1 ZINC001403828950 1002590278 /nfs/dbraw/zinc/59/02/78/1002590278.db2.gz PZHZNPKRQCZFDQ-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001420548942 1002600819 /nfs/dbraw/zinc/60/08/19/1002600819.db2.gz PHLXPCDULBICEB-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001420548942 1002600831 /nfs/dbraw/zinc/60/08/31/1002600831.db2.gz PHLXPCDULBICEB-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001420721356 1002857265 /nfs/dbraw/zinc/85/72/65/1002857265.db2.gz CYHGLYUKASHBSK-GFCCVEGCSA-N 1 3 300.447 0.289 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001420733296 1002883880 /nfs/dbraw/zinc/88/38/80/1002883880.db2.gz WVQBYHSUZZFELU-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+][C@H]2CCN(C)C2=O)C2CC2)CCC1 ZINC001420747105 1002907447 /nfs/dbraw/zinc/90/74/47/1002907447.db2.gz ZFHPXCUKOVNOHA-UONOGXRCSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC(=O)N(C)C ZINC001425662172 1002939612 /nfs/dbraw/zinc/93/96/12/1002939612.db2.gz HRDXGBTZWTWQPL-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)[C@H](C)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001420945534 1003161472 /nfs/dbraw/zinc/16/14/72/1003161472.db2.gz ONIKMQCOEBNUKN-QWHCGFSZSA-N 1 3 310.442 0.232 20 0 DCADHO CNC(=O)[C@H](C)NC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001420945534 1003161479 /nfs/dbraw/zinc/16/14/79/1003161479.db2.gz ONIKMQCOEBNUKN-QWHCGFSZSA-N 1 3 310.442 0.232 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)C(N)=O ZINC001420974086 1003191154 /nfs/dbraw/zinc/19/11/54/1003191154.db2.gz OSCLAKVCHKUXRM-RWMBFGLXSA-N 1 3 310.442 0.219 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)C(N)=O ZINC001420974086 1003191158 /nfs/dbraw/zinc/19/11/58/1003191158.db2.gz OSCLAKVCHKUXRM-RWMBFGLXSA-N 1 3 310.442 0.219 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001420991348 1003213987 /nfs/dbraw/zinc/21/39/87/1003213987.db2.gz CPGICKYLJGLKHL-GOEBONIOSA-N 1 3 309.454 0.993 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)NCC2CC2)CN1C(=O)CCC[NH+](C)C ZINC001425887063 1003225427 /nfs/dbraw/zinc/22/54/27/1003225427.db2.gz CXTROOOOHUFPES-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001425952419 1003280244 /nfs/dbraw/zinc/28/02/44/1003280244.db2.gz IOYMLGZNCPMJSZ-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001421127476 1003360061 /nfs/dbraw/zinc/36/00/61/1003360061.db2.gz QBAQGUVLZCKINH-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001426120271 1003449694 /nfs/dbraw/zinc/44/96/94/1003449694.db2.gz BREPDWVHNIEPQQ-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)NC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001426120271 1003449699 /nfs/dbraw/zinc/44/96/99/1003449699.db2.gz BREPDWVHNIEPQQ-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@H](O)CN1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001421304962 1003520221 /nfs/dbraw/zinc/52/02/21/1003520221.db2.gz VDRWIRQYANCNAB-ZNMIVQPWSA-N 1 3 315.458 0.113 20 0 DCADHO Cc1ccc(F)c(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001406275991 1003560130 /nfs/dbraw/zinc/56/01/30/1003560130.db2.gz CWGYPMGASLIEOI-HIFRSBDPSA-N 1 3 323.412 0.653 20 0 DCADHO Cc1ccc(F)c(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001406275991 1003560134 /nfs/dbraw/zinc/56/01/34/1003560134.db2.gz CWGYPMGASLIEOI-HIFRSBDPSA-N 1 3 323.412 0.653 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001406325671 1003607177 /nfs/dbraw/zinc/60/71/77/1003607177.db2.gz LAITZEJZMNJKBD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001406403053 1003684950 /nfs/dbraw/zinc/68/49/50/1003684950.db2.gz ANMBBBLTIFNKSO-GFCCVEGCSA-N 1 3 307.442 0.665 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001428151057 1003728751 /nfs/dbraw/zinc/72/87/51/1003728751.db2.gz XHVLNZOBUIHISG-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406481033 1003753099 /nfs/dbraw/zinc/75/30/99/1003753099.db2.gz KRZLIPHQFDAAOT-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001428213690 1003767821 /nfs/dbraw/zinc/76/78/21/1003767821.db2.gz CEWNUEBCGLCWMD-HDJSIYSDSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1)N(C)C ZINC001428224450 1003772993 /nfs/dbraw/zinc/77/29/93/1003772993.db2.gz KMNZYGQFDRCYFC-AAVRWANBSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC[C@H]1C)NC(=O)CC[NH+](C)C ZINC001406509385 1003774834 /nfs/dbraw/zinc/77/48/34/1003774834.db2.gz DFZKYWIMQVHUDZ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001406522840 1003788219 /nfs/dbraw/zinc/78/82/19/1003788219.db2.gz WCQUMDGKTKLKJB-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001406522840 1003788223 /nfs/dbraw/zinc/78/82/23/1003788223.db2.gz WCQUMDGKTKLKJB-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406617928 1003931374 /nfs/dbraw/zinc/93/13/74/1003931374.db2.gz SFYKOZZORYPOPE-MGPQQGTHSA-N 1 3 308.430 0.055 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406617928 1003931384 /nfs/dbraw/zinc/93/13/84/1003931384.db2.gz SFYKOZZORYPOPE-MGPQQGTHSA-N 1 3 308.430 0.055 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001406619477 1003933752 /nfs/dbraw/zinc/93/37/52/1003933752.db2.gz TXHOODMXODXDQO-OKILXGFUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001406817562 1004118706 /nfs/dbraw/zinc/11/87/06/1004118706.db2.gz XMPIDNGZIMFUMX-GXTWGEPZSA-N 1 3 321.425 0.257 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001428921865 1004269096 /nfs/dbraw/zinc/26/90/96/1004269096.db2.gz FDVNWZHSMQLBGO-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001428921865 1004269104 /nfs/dbraw/zinc/26/91/04/1004269104.db2.gz FDVNWZHSMQLBGO-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO Cc1nc(CNC[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)n[nH]1 ZINC001407147226 1004420397 /nfs/dbraw/zinc/42/03/97/1004420397.db2.gz JZSFBOCIZJGQLT-AWEZNQCLSA-N 1 3 322.457 0.829 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001407264790 1004503489 /nfs/dbraw/zinc/50/34/89/1004503489.db2.gz MHUTWAJJVFNTMK-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN(C)C1CCC1 ZINC001427697422 1004536417 /nfs/dbraw/zinc/53/64/17/1004536417.db2.gz PAEZHHZDSAHTLI-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1ncoc1CN1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407385746 1004614615 /nfs/dbraw/zinc/61/46/15/1004614615.db2.gz KRPGVCZVLORWBQ-INIZCTEOSA-N 1 3 322.409 0.132 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001414569731 1005362060 /nfs/dbraw/zinc/36/20/60/1005362060.db2.gz SKWJVSDOVQFPFN-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001414776246 1005400314 /nfs/dbraw/zinc/40/03/14/1005400314.db2.gz SCNROBIYDIQNSF-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001414776246 1005400315 /nfs/dbraw/zinc/40/03/15/1005400315.db2.gz SCNROBIYDIQNSF-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CCC(C)(C)C1 ZINC001415259022 1005490992 /nfs/dbraw/zinc/49/09/92/1005490992.db2.gz UIMZFEBNIQXRNV-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001415311482 1005500496 /nfs/dbraw/zinc/50/04/96/1005500496.db2.gz MYPJYLMYTFFQIH-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001416107885 1005661804 /nfs/dbraw/zinc/66/18/04/1005661804.db2.gz NUDYWPQDWSTNOS-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001416107885 1005661805 /nfs/dbraw/zinc/66/18/05/1005661805.db2.gz NUDYWPQDWSTNOS-AWEZNQCLSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001417140448 1005791827 /nfs/dbraw/zinc/79/18/27/1005791827.db2.gz APLPKCQHAJFKET-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001417140448 1005791828 /nfs/dbraw/zinc/79/18/28/1005791828.db2.gz APLPKCQHAJFKET-ZIAGYGMSSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001417778117 1005888779 /nfs/dbraw/zinc/88/87/79/1005888779.db2.gz OHRHNWJCAOZONL-HZSPNIEDSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001417780157 1005889177 /nfs/dbraw/zinc/88/91/77/1005889177.db2.gz ZPFMKRAAAMJKJA-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001417787269 1005890900 /nfs/dbraw/zinc/89/09/00/1005890900.db2.gz IPXLWXBLCMXAKN-AAVRWANBSA-N 1 3 310.442 0.042 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001417991937 1005949623 /nfs/dbraw/zinc/94/96/23/1005949623.db2.gz XSJPPSAXZBHJLR-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CN[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001417991937 1005949622 /nfs/dbraw/zinc/94/96/22/1005949622.db2.gz XSJPPSAXZBHJLR-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001418008476 1005954171 /nfs/dbraw/zinc/95/41/71/1005954171.db2.gz GDFBCOYEUDRCRB-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001418008476 1005954173 /nfs/dbraw/zinc/95/41/73/1005954173.db2.gz GDFBCOYEUDRCRB-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)N2CCCC2)C2CC2)C1 ZINC001418013683 1005955229 /nfs/dbraw/zinc/95/52/29/1005955229.db2.gz IGUWSAQIABTOOF-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)N2CCCC2)C2CC2)C1 ZINC001418013683 1005955230 /nfs/dbraw/zinc/95/52/30/1005955230.db2.gz IGUWSAQIABTOOF-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001418045215 1005975750 /nfs/dbraw/zinc/97/57/50/1005975750.db2.gz BOWLCIVZWYYCPA-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001418045215 1005975757 /nfs/dbraw/zinc/97/57/57/1005975757.db2.gz BOWLCIVZWYYCPA-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001438652045 1005990897 /nfs/dbraw/zinc/99/08/97/1005990897.db2.gz KHIBIVQBOUPLKF-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001438652045 1005990901 /nfs/dbraw/zinc/99/09/01/1005990901.db2.gz KHIBIVQBOUPLKF-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438678876 1006022705 /nfs/dbraw/zinc/02/27/05/1006022705.db2.gz ZMJPWWGHPXSOBZ-ZDUSSCGKSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cnns1 ZINC001438762882 1006098878 /nfs/dbraw/zinc/09/88/78/1006098878.db2.gz CIZWCOMZDWRRJD-AAEUAGOBSA-N 1 3 311.455 0.816 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001418166920 1006122642 /nfs/dbraw/zinc/12/26/42/1006122642.db2.gz ASGGMFWYIKCMJX-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](CCO)CCCF)C1)N(C)C ZINC001436460510 1006193845 /nfs/dbraw/zinc/19/38/45/1006193845.db2.gz OYECNMNQTJIBSN-CABCVRRESA-N 1 3 317.449 0.972 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](CCO)CCCF)C1)N(C)C ZINC001436460510 1006193849 /nfs/dbraw/zinc/19/38/49/1006193849.db2.gz OYECNMNQTJIBSN-CABCVRRESA-N 1 3 317.449 0.972 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001418241616 1006232139 /nfs/dbraw/zinc/23/21/39/1006232139.db2.gz PYBPXKORELYVSR-WCQYABFASA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001418241616 1006232145 /nfs/dbraw/zinc/23/21/45/1006232145.db2.gz PYBPXKORELYVSR-WCQYABFASA-N 1 3 308.430 0.582 20 0 DCADHO CN(CC[N@H+](C)C[C@@H]1C[C@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001438922406 1006232833 /nfs/dbraw/zinc/23/28/33/1006232833.db2.gz VXNNPOLXVBJWBU-BBRMVZONSA-N 1 3 306.410 0.769 20 0 DCADHO CN(CC[N@@H+](C)C[C@@H]1C[C@]12CCOC2)C(=O)Cc1c[nH]cn1 ZINC001438922406 1006232847 /nfs/dbraw/zinc/23/28/47/1006232847.db2.gz VXNNPOLXVBJWBU-BBRMVZONSA-N 1 3 306.410 0.769 20 0 DCADHO CNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001436662414 1006242997 /nfs/dbraw/zinc/24/29/97/1006242997.db2.gz CXKBRFSYRFHFMX-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCN1CCCC1=O)N(C)C ZINC001418272759 1006282808 /nfs/dbraw/zinc/28/28/08/1006282808.db2.gz YSBOZLGJSYHHMY-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001439004010 1006347384 /nfs/dbraw/zinc/34/73/84/1006347384.db2.gz RJJXOVYLDSRWRD-HUUCEWRRSA-N 1 3 311.401 0.733 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436996804 1006514208 /nfs/dbraw/zinc/51/42/08/1006514208.db2.gz BHMANEUWVVXJRB-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436996802 1006515510 /nfs/dbraw/zinc/51/55/10/1006515510.db2.gz BHMANEUWVVXJRB-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001437017219 1006532139 /nfs/dbraw/zinc/53/21/39/1006532139.db2.gz CLOFQVSDSKXJOM-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001437029057 1006538137 /nfs/dbraw/zinc/53/81/37/1006538137.db2.gz GSYJJOPCZDJYAC-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001437058777 1006557274 /nfs/dbraw/zinc/55/72/74/1006557274.db2.gz SKVYGLWTERRTEJ-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001437058777 1006557279 /nfs/dbraw/zinc/55/72/79/1006557279.db2.gz SKVYGLWTERRTEJ-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)C1(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001452131895 1006623218 /nfs/dbraw/zinc/62/32/18/1006623218.db2.gz GIKUZWQPWUSZST-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C1(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001452131895 1006623226 /nfs/dbraw/zinc/62/32/26/1006623226.db2.gz GIKUZWQPWUSZST-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001452242175 1006682978 /nfs/dbraw/zinc/68/29/78/1006682978.db2.gz PXFQGBSCTADNDM-UHFFFAOYSA-N 1 3 321.425 0.318 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N[C@@H](C)C1CC1 ZINC001437202358 1006701337 /nfs/dbraw/zinc/70/13/37/1006701337.db2.gz PMJXIPODZNGJTK-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN(C)CCNC(=O)C1CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439365132 1006758930 /nfs/dbraw/zinc/75/89/30/1006758930.db2.gz JWNUINRUGNQNLS-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CN(C)CCNC(=O)C1CC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439365132 1006758939 /nfs/dbraw/zinc/75/89/39/1006758939.db2.gz JWNUINRUGNQNLS-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H](C)C(=O)NC1CC1 ZINC001437260996 1006780213 /nfs/dbraw/zinc/78/02/13/1006780213.db2.gz JSHQRGIUKNVSGF-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001437314764 1006832810 /nfs/dbraw/zinc/83/28/10/1006832810.db2.gz TWXAXDNADOPPEI-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001437324953 1006842319 /nfs/dbraw/zinc/84/23/19/1006842319.db2.gz KOUIYQYQHJVEIA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001437331145 1006848394 /nfs/dbraw/zinc/84/83/94/1006848394.db2.gz UYSPYXNRNFUHKQ-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2ccnn2C)C2CC2)C1 ZINC001439479841 1006908329 /nfs/dbraw/zinc/90/83/29/1006908329.db2.gz ZSMDIMVTXQDNEK-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H](O)CN(C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001437515656 1007078521 /nfs/dbraw/zinc/07/85/21/1007078521.db2.gz CHCSCIOPQPARLC-AWEZNQCLSA-N 1 3 307.438 0.833 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001439816170 1007218294 /nfs/dbraw/zinc/21/82/94/1007218294.db2.gz NJDLDVAWGNYIAN-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001439816175 1007218828 /nfs/dbraw/zinc/21/88/28/1007218828.db2.gz NJDLDVAWGNYIAN-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCN1C(=O)CCC[NH+](C)C ZINC001453210590 1007317068 /nfs/dbraw/zinc/31/70/68/1007317068.db2.gz BJAKSQWPMDXAQS-CYBMUJFWSA-N 1 3 321.425 0.320 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCN2CCCC2=O)C1)N(C)C ZINC001437730707 1007322917 /nfs/dbraw/zinc/32/29/17/1007322917.db2.gz WRJGIDODKGVRFS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1)N(C)C ZINC001437730707 1007322929 /nfs/dbraw/zinc/32/29/29/1007322929.db2.gz WRJGIDODKGVRFS-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC001437727829 1007323771 /nfs/dbraw/zinc/32/37/71/1007323771.db2.gz VJMYZMULNKTTKE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCCN(C)C2=O)C1 ZINC001437727829 1007323779 /nfs/dbraw/zinc/32/37/79/1007323779.db2.gz VJMYZMULNKTTKE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NCCF)CCOCC1)[NH+](C)C ZINC001439955596 1007330245 /nfs/dbraw/zinc/33/02/45/1007330245.db2.gz FJMFTXCSSZBYLA-ZDUSSCGKSA-N 1 3 303.422 0.797 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001453275419 1007374195 /nfs/dbraw/zinc/37/41/95/1007374195.db2.gz XZLLJHXKDJDZBI-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NCC2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CCC1 ZINC001453416784 1007462311 /nfs/dbraw/zinc/46/23/11/1007462311.db2.gz ATTNSHBMRPSAQO-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C1(C(=O)NCC2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CCC1 ZINC001453416784 1007462318 /nfs/dbraw/zinc/46/23/18/1007462318.db2.gz ATTNSHBMRPSAQO-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+][C@H]2CCNC2=O)CC1 ZINC001437859835 1007468961 /nfs/dbraw/zinc/46/89/61/1007468961.db2.gz XPQUZBYWJCZAQF-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001437993194 1007571596 /nfs/dbraw/zinc/57/15/96/1007571596.db2.gz FIGWIGUIPWIAGQ-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001437993194 1007571606 /nfs/dbraw/zinc/57/16/06/1007571606.db2.gz FIGWIGUIPWIAGQ-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001440350249 1007685985 /nfs/dbraw/zinc/68/59/85/1007685985.db2.gz DAQKZMZHXXAUEA-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001440350249 1007685989 /nfs/dbraw/zinc/68/59/89/1007685989.db2.gz DAQKZMZHXXAUEA-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]([NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001438437205 1007907189 /nfs/dbraw/zinc/90/71/89/1007907189.db2.gz XOAITLUILRTPSX-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001440596464 1007909430 /nfs/dbraw/zinc/90/94/30/1007909430.db2.gz SKEIEVLCJRREGO-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1 ZINC001438596422 1008019193 /nfs/dbraw/zinc/01/91/93/1008019193.db2.gz VQKAUXUATCYTCD-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccnn1C)N(C)C ZINC001440993409 1008165471 /nfs/dbraw/zinc/16/54/71/1008165471.db2.gz COHWQGJPOCGPDF-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001440993409 1008165474 /nfs/dbraw/zinc/16/54/74/1008165474.db2.gz COHWQGJPOCGPDF-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441001286 1008169620 /nfs/dbraw/zinc/16/96/20/1008169620.db2.gz MIYHFFRAZQOXOG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441001286 1008169624 /nfs/dbraw/zinc/16/96/24/1008169624.db2.gz MIYHFFRAZQOXOG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2(CNCC(N)=O)CCCCC2)CC[N@@H+]1C ZINC001441096377 1008218792 /nfs/dbraw/zinc/21/87/92/1008218792.db2.gz DAPWUCHATMOLRW-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2(CNCC(N)=O)CCCCC2)CC[N@H+]1C ZINC001441096377 1008218796 /nfs/dbraw/zinc/21/87/96/1008218796.db2.gz DAPWUCHATMOLRW-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1)OC ZINC001441302541 1008313041 /nfs/dbraw/zinc/31/30/41/1008313041.db2.gz DDBRFDRAAHMDAU-TUVASFSCSA-N 1 3 320.437 0.980 20 0 DCADHO CC[C@H](C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1)OC ZINC001441302541 1008313043 /nfs/dbraw/zinc/31/30/43/1008313043.db2.gz DDBRFDRAAHMDAU-TUVASFSCSA-N 1 3 320.437 0.980 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001441391849 1008343806 /nfs/dbraw/zinc/34/38/06/1008343806.db2.gz CNDFDTMNOCKYMQ-AWEZNQCLSA-N 1 3 312.458 0.515 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001441391849 1008343809 /nfs/dbraw/zinc/34/38/09/1008343809.db2.gz CNDFDTMNOCKYMQ-AWEZNQCLSA-N 1 3 312.458 0.515 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1cnn(C)c1 ZINC001441592199 1008416797 /nfs/dbraw/zinc/41/67/97/1008416797.db2.gz FSXTXOZAHCKVIZ-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCc1cnn(C)c1 ZINC001441592199 1008416799 /nfs/dbraw/zinc/41/67/99/1008416799.db2.gz FSXTXOZAHCKVIZ-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001441595853 1008418516 /nfs/dbraw/zinc/41/85/16/1008418516.db2.gz VVTYKCXCNZLRMN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H](N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001441637282 1008432613 /nfs/dbraw/zinc/43/26/13/1008432613.db2.gz AUBWSQHCWKQZCE-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001441656652 1008443259 /nfs/dbraw/zinc/44/32/59/1008443259.db2.gz QESPAZXHMHDHHN-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001421418766 1008555351 /nfs/dbraw/zinc/55/53/51/1008555351.db2.gz ITVJFYYXVVFJJW-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)CC ZINC001441861542 1008587727 /nfs/dbraw/zinc/58/77/27/1008587727.db2.gz LTBCBTAOPBKISQ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N(C)CC ZINC001441861542 1008587737 /nfs/dbraw/zinc/58/77/37/1008587737.db2.gz LTBCBTAOPBKISQ-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(N)=O ZINC001441910221 1008646079 /nfs/dbraw/zinc/64/60/79/1008646079.db2.gz BTOXLOMWYPVQIC-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001441928056 1008667028 /nfs/dbraw/zinc/66/70/28/1008667028.db2.gz AECMHOONUNNAOK-CYBMUJFWSA-N 1 3 312.458 0.195 20 0 DCADHO CN(C)C1(C(=O)N(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001453690786 1008666922 /nfs/dbraw/zinc/66/69/22/1008666922.db2.gz WRMLEBKOERITQC-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)N2CCC2)CCCC1)N(C)C ZINC001421535409 1008699183 /nfs/dbraw/zinc/69/91/83/1008699183.db2.gz PAIUZSDUTMWMKM-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001421538416 1008700794 /nfs/dbraw/zinc/70/07/94/1008700794.db2.gz BIWNUMBGECNNTR-ZENOOKHLSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001421538416 1008700808 /nfs/dbraw/zinc/70/08/08/1008700808.db2.gz BIWNUMBGECNNTR-ZENOOKHLSA-N 1 3 310.442 0.077 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001421547205 1008713051 /nfs/dbraw/zinc/71/30/51/1008713051.db2.gz RCSKFWPXAGPWHQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001421656195 1008877617 /nfs/dbraw/zinc/87/76/17/1008877617.db2.gz XVGJAIVURKBJAR-HAQNSBGRSA-N 1 3 307.398 0.011 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001442075114 1008938476 /nfs/dbraw/zinc/93/84/76/1008938476.db2.gz ABRDWPVDLORHDL-GJZGRUSLSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001442075114 1008938493 /nfs/dbraw/zinc/93/84/93/1008938493.db2.gz ABRDWPVDLORHDL-GJZGRUSLSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001442089881 1008959195 /nfs/dbraw/zinc/95/91/95/1008959195.db2.gz ADYQKUJSZXPXKI-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001442141075 1009012464 /nfs/dbraw/zinc/01/24/64/1009012464.db2.gz QNUILWWZMPBLCT-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nnsc1CN[C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001442337962 1009194780 /nfs/dbraw/zinc/19/47/80/1009194780.db2.gz LCHDWLIPQBDSGL-ZYHUDNBSSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CN[C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001442337962 1009194783 /nfs/dbraw/zinc/19/47/83/1009194783.db2.gz LCHDWLIPQBDSGL-ZYHUDNBSSA-N 1 3 311.455 0.783 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1NCC(=O)N(C)C ZINC001422038256 1009424237 /nfs/dbraw/zinc/42/42/37/1009424237.db2.gz GANWBUVEEGYHSC-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001422051216 1009436798 /nfs/dbraw/zinc/43/67/98/1009436798.db2.gz QRVKOCPSHXVJTG-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001422060667 1009445394 /nfs/dbraw/zinc/44/53/94/1009445394.db2.gz JXERKDQKERCGRC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1cncn1C ZINC001422136857 1009538592 /nfs/dbraw/zinc/53/85/92/1009538592.db2.gz QEZCJCYPGJFTEL-OAHLLOKOSA-N 1 3 309.458 0.991 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001434092848 1009551515 /nfs/dbraw/zinc/55/15/15/1009551515.db2.gz VTMLARNARPDJOT-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001434092848 1009551526 /nfs/dbraw/zinc/55/15/26/1009551526.db2.gz VTMLARNARPDJOT-ZFWWWQNUSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001456301755 1010180622 /nfs/dbraw/zinc/18/06/22/1010180622.db2.gz VWMTVOWABMMAIO-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001456301755 1010180635 /nfs/dbraw/zinc/18/06/35/1010180635.db2.gz VWMTVOWABMMAIO-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)C1(N(C)C)CCC1 ZINC001422511926 1010213383 /nfs/dbraw/zinc/21/33/83/1010213383.db2.gz QPLLWJXCXMVDTB-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001422575872 1010333718 /nfs/dbraw/zinc/33/37/18/1010333718.db2.gz VVODPOIYSSOXPY-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001422575872 1010333727 /nfs/dbraw/zinc/33/37/27/1010333727.db2.gz VVODPOIYSSOXPY-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001422585069 1010353333 /nfs/dbraw/zinc/35/33/33/1010353333.db2.gz XLUSIWCJUGDYLW-VXGBXAGGSA-N 1 3 306.410 0.330 20 0 DCADHO CCC[C@@H](C)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422589844 1010361758 /nfs/dbraw/zinc/36/17/58/1010361758.db2.gz JJKLAVZPQHWSDB-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422684178 1010487579 /nfs/dbraw/zinc/48/75/79/1010487579.db2.gz DFTALXSTVXDVCV-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422684178 1010487582 /nfs/dbraw/zinc/48/75/82/1010487582.db2.gz DFTALXSTVXDVCV-HZSPNIEDSA-N 1 3 312.458 0.337 20 0 DCADHO CCCC[C@@H](CN[C@H](C)C(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001422692604 1010494375 /nfs/dbraw/zinc/49/43/75/1010494375.db2.gz YLMJVTGLFBIHNM-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001422737837 1010549197 /nfs/dbraw/zinc/54/91/97/1010549197.db2.gz WLTJZVPUAMTNEB-KGLIPLIRSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422746583 1010561978 /nfs/dbraw/zinc/56/19/78/1010561978.db2.gz STQVLIWFSPBSCB-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422746583 1010561989 /nfs/dbraw/zinc/56/19/89/1010561989.db2.gz STQVLIWFSPBSCB-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001422884165 1010698688 /nfs/dbraw/zinc/69/86/88/1010698688.db2.gz VNUHAYOHRADKCE-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001422884165 1010698692 /nfs/dbraw/zinc/69/86/92/1010698692.db2.gz VNUHAYOHRADKCE-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001422933617 1010752741 /nfs/dbraw/zinc/75/27/41/1010752741.db2.gz QXMFFEOPQJQIRH-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)[C@H]2CCCNC2=O)CC1 ZINC001422933617 1010752749 /nfs/dbraw/zinc/75/27/49/1010752749.db2.gz QXMFFEOPQJQIRH-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422985804 1010788818 /nfs/dbraw/zinc/78/88/18/1010788818.db2.gz SEFXITDUJJFEKS-CABCVRRESA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccnn1C ZINC001443989679 1010792651 /nfs/dbraw/zinc/79/26/51/1010792651.db2.gz UQEDNOQUEYIILU-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001423013360 1010808289 /nfs/dbraw/zinc/80/82/89/1010808289.db2.gz UGAXPIZCQQLWPX-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(=O)N2CCC2)C2CC2)C1 ZINC001423025588 1010818215 /nfs/dbraw/zinc/81/82/15/1010818215.db2.gz XZVNCYCTTJAGSU-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001423092987 1010882223 /nfs/dbraw/zinc/88/22/23/1010882223.db2.gz FDLJOUVGILPWLB-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)N(C)C)CCCC1 ZINC001444540535 1011054761 /nfs/dbraw/zinc/05/47/61/1011054761.db2.gz YUYARUYTTYGYJD-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC001423401017 1011124493 /nfs/dbraw/zinc/12/44/93/1011124493.db2.gz IQCVWDKFDOHQRF-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001423403091 1011126075 /nfs/dbraw/zinc/12/60/75/1011126075.db2.gz MAPNZCDEBKBAMO-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001423403091 1011126080 /nfs/dbraw/zinc/12/60/80/1011126080.db2.gz MAPNZCDEBKBAMO-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)CNC(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001444709120 1011141460 /nfs/dbraw/zinc/14/14/60/1011141460.db2.gz NCDGFLVTODPHKS-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNCc1cnnn1C ZINC001444726558 1011149242 /nfs/dbraw/zinc/14/92/42/1011149242.db2.gz XAFWFOOKZMLGBD-HIFRSBDPSA-N 1 3 322.457 0.626 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNCc1cnnn1C ZINC001444726558 1011149247 /nfs/dbraw/zinc/14/92/47/1011149247.db2.gz XAFWFOOKZMLGBD-HIFRSBDPSA-N 1 3 322.457 0.626 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001423469837 1011171138 /nfs/dbraw/zinc/17/11/38/1011171138.db2.gz QQRZRXPSIHOAPU-NEPJUHHUSA-N 1 3 307.398 0.057 20 0 DCADHO Cn1nccc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001423639286 1011377283 /nfs/dbraw/zinc/37/72/83/1011377283.db2.gz TUMAILQMOSAHII-RDJZCZTQSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2ccns2)CC[N@@H+]1C ZINC001445190380 1011499661 /nfs/dbraw/zinc/49/96/61/1011499661.db2.gz QMHQBWZMFINUBD-NTZNESFSSA-N 1 3 312.439 0.050 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2ccns2)CC[N@H+]1C ZINC001445190380 1011499667 /nfs/dbraw/zinc/49/96/67/1011499667.db2.gz QMHQBWZMFINUBD-NTZNESFSSA-N 1 3 312.439 0.050 20 0 DCADHO COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001423762984 1011504498 /nfs/dbraw/zinc/50/44/98/1011504498.db2.gz UYHQOETZFRJRER-CZUORRHYSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001423762984 1011504507 /nfs/dbraw/zinc/50/45/07/1011504507.db2.gz UYHQOETZFRJRER-CZUORRHYSA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1ccc(Cl)s1 ZINC001445226930 1011544468 /nfs/dbraw/zinc/54/44/68/1011544468.db2.gz SEGKQHIHHNOMDK-SNVBAGLBSA-N 1 3 319.858 0.920 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001423957003 1011775383 /nfs/dbraw/zinc/77/53/83/1011775383.db2.gz PAMZBOOWRCLCAQ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445472243 1011799205 /nfs/dbraw/zinc/79/92/05/1011799205.db2.gz GUBZLBVPTBNJDZ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445472243 1011799210 /nfs/dbraw/zinc/79/92/10/1011799210.db2.gz GUBZLBVPTBNJDZ-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)C12CCC[NH+]1CCC2 ZINC001445583872 1011959548 /nfs/dbraw/zinc/95/95/48/1011959548.db2.gz PJPKUJHZAVOOBH-ZDUSSCGKSA-N 1 3 305.426 0.643 20 0 DCADHO C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@@H]1CCC[NH2+]C1 ZINC001553493488 1012027317 /nfs/dbraw/zinc/02/73/17/1012027317.db2.gz COVJXSAACGUYLB-JJXSEGSLSA-N 1 3 324.469 0.615 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCN(C2CCC2)C1=O ZINC001445635251 1012034505 /nfs/dbraw/zinc/03/45/05/1012034505.db2.gz WFBBFWQBIBAZME-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCN(C2CCC2)C1=O ZINC001445635251 1012034514 /nfs/dbraw/zinc/03/45/14/1012034514.db2.gz WFBBFWQBIBAZME-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CNCCO3)C[C@H]2C1 ZINC001553508688 1012050612 /nfs/dbraw/zinc/05/06/12/1012050612.db2.gz YTMVLRHCKJYFLY-TUVASFSCSA-N 1 3 310.442 0.347 20 0 DCADHO [NH3+][C@]12CC[C@H]1CN(C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC001553508756 1012052947 /nfs/dbraw/zinc/05/29/47/1012052947.db2.gz NBTJYYKBQSRPHV-NOLJZWGESA-N 1 3 308.426 0.372 20 0 DCADHO CCC1([NH3+])CCN(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC001553531476 1012081806 /nfs/dbraw/zinc/08/18/06/1012081806.db2.gz SITIFASJWRSOCU-LSDHHAIUSA-N 1 3 324.469 0.841 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001536374312 1012106588 /nfs/dbraw/zinc/10/65/88/1012106588.db2.gz NLMAQLZAJHLAFP-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001432318214 1012314537 /nfs/dbraw/zinc/31/45/37/1012314537.db2.gz RQXLFIKTQSPPJK-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001424296626 1012325434 /nfs/dbraw/zinc/32/54/34/1012325434.db2.gz VJLZZXYLJGVLQF-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001424300519 1012330539 /nfs/dbraw/zinc/33/05/39/1012330539.db2.gz NLBBOBVBBOUJBQ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001424300514 1012330746 /nfs/dbraw/zinc/33/07/46/1012330746.db2.gz NLBBOBVBBOUJBQ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001424559577 1012652731 /nfs/dbraw/zinc/65/27/31/1012652731.db2.gz QMWCPXSIUCANIK-OCCSQVGLSA-N 1 3 312.458 0.241 20 0 DCADHO CC1CCN(CCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001548547964 1012696009 /nfs/dbraw/zinc/69/60/09/1012696009.db2.gz LRTYJNRTUNXCEK-UHFFFAOYSA-N 1 3 308.426 0.733 20 0 DCADHO O=C(N[C@@H]1COC2(CNC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC001548570781 1012735731 /nfs/dbraw/zinc/73/57/31/1012735731.db2.gz XEGMLNRTLUCCDC-YOEHRIQHSA-N 1 3 301.390 0.165 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001446302964 1012736572 /nfs/dbraw/zinc/73/65/72/1012736572.db2.gz ZWBIJSXPSSWGMI-AWEZNQCLSA-N 1 3 322.453 0.379 20 0 DCADHO O=C([C@@H]1CNCc2ccccc21)N1CCC2(CC1)C[NH2+]CCO2 ZINC001548586621 1012764246 /nfs/dbraw/zinc/76/42/46/1012764246.db2.gz NTYTTXSYPUPVJG-MRXNPFEDSA-N 1 3 315.417 0.854 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001459541208 1012770254 /nfs/dbraw/zinc/77/02/54/1012770254.db2.gz AEMXXTOZHXUKCG-MRXNPFEDSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[N@@H+]2C1 ZINC001548726566 1013040745 /nfs/dbraw/zinc/04/07/45/1013040745.db2.gz CBTVTBCATDZAFF-RBGFHDKUSA-N 1 3 307.438 0.384 20 0 DCADHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C[N@H+]2C1 ZINC001548726566 1013040764 /nfs/dbraw/zinc/04/07/64/1013040764.db2.gz CBTVTBCATDZAFF-RBGFHDKUSA-N 1 3 307.438 0.384 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001479322613 1017499122 /nfs/dbraw/zinc/49/91/22/1017499122.db2.gz WRWOETGWXFTYQP-FMKPAKJESA-N 1 3 319.453 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(N)=O ZINC001479581552 1017588340 /nfs/dbraw/zinc/58/83/40/1017588340.db2.gz XURNSVDGNPCHTF-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CN[C@H](C)C(N)=O ZINC001479581552 1017588344 /nfs/dbraw/zinc/58/83/44/1017588344.db2.gz XURNSVDGNPCHTF-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001506853595 1017615546 /nfs/dbraw/zinc/61/55/46/1017615546.db2.gz KHWIJRRZXGSRIJ-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(=O)NC ZINC001506951387 1017695215 /nfs/dbraw/zinc/69/52/15/1017695215.db2.gz RBANFVJXIBPLOM-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO O=C(NC[C@H](O)CNCCF)C1CC[NH+](CC2CC2)CC1 ZINC001497090413 1017847030 /nfs/dbraw/zinc/84/70/30/1017847030.db2.gz GHFMMRSAIBZBPH-CQSZACIVSA-N 1 3 301.406 0.145 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CCC1CCOCC1 ZINC001497099980 1017864686 /nfs/dbraw/zinc/86/46/86/1017864686.db2.gz WPNSEQOVBQUUBF-CQSZACIVSA-N 1 3 324.425 0.144 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H]1CCCNC1=O ZINC001479851157 1017887571 /nfs/dbraw/zinc/88/75/71/1017887571.db2.gz RALZPGCFSSUREX-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H]1CCCNC1=O ZINC001479851157 1017887592 /nfs/dbraw/zinc/88/75/92/1017887592.db2.gz RALZPGCFSSUREX-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@@H](N(CCCNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001479874809 1017922280 /nfs/dbraw/zinc/92/22/80/1017922280.db2.gz DDEZLXXGFIBOGF-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001497187574 1017951275 /nfs/dbraw/zinc/95/12/75/1017951275.db2.gz CZLGDWLBLKSETN-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CCN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)CN1CCCC1 ZINC001497496253 1018168666 /nfs/dbraw/zinc/16/86/66/1018168666.db2.gz UWKPKZZWNNHXKF-UHFFFAOYSA-N 1 3 320.437 0.419 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001480120763 1018224346 /nfs/dbraw/zinc/22/43/46/1018224346.db2.gz PSMOKFBIXUNTTN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001480219682 1018328586 /nfs/dbraw/zinc/32/85/86/1018328586.db2.gz BOBXWYIQJBFUJS-OKILXGFUSA-N 1 3 317.437 0.864 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)CC(C)(C)C ZINC001480223774 1018334331 /nfs/dbraw/zinc/33/43/31/1018334331.db2.gz IASVJMMUBQWYNR-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1nccc1CNC[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001495278034 1018442676 /nfs/dbraw/zinc/44/26/76/1018442676.db2.gz SCTXKRUVUKASRQ-INIZCTEOSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]([NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001495445264 1018508993 /nfs/dbraw/zinc/50/89/93/1018508993.db2.gz MBJLEUWHWQHFJK-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]([NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001495445263 1018510818 /nfs/dbraw/zinc/51/08/18/1018510818.db2.gz MBJLEUWHWQHFJK-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001498109899 1018660627 /nfs/dbraw/zinc/66/06/27/1018660627.db2.gz PSNKYYAUYZNDSM-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001498117420 1018665368 /nfs/dbraw/zinc/66/53/68/1018665368.db2.gz BFMWXYPFHSLFET-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCn1cc(CN[C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001501071288 1018862663 /nfs/dbraw/zinc/86/26/63/1018862663.db2.gz LYZYWPMRBHHSFI-KBPBESRZSA-N 1 3 322.457 0.576 20 0 DCADHO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCN2C)nn1 ZINC001480754227 1018865946 /nfs/dbraw/zinc/86/59/46/1018865946.db2.gz RTXUUWOMDJNORH-TZMCWYRMSA-N 1 3 321.425 0.564 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001498327242 1018958738 /nfs/dbraw/zinc/95/87/38/1018958738.db2.gz JXVMLXFVRORERQ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001498327242 1018958747 /nfs/dbraw/zinc/95/87/47/1018958747.db2.gz JXVMLXFVRORERQ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496133388 1019098982 /nfs/dbraw/zinc/09/89/82/1019098982.db2.gz WOPAFGJFVMVLCG-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)CCc1ccnn1C ZINC001498456910 1019136617 /nfs/dbraw/zinc/13/66/17/1019136617.db2.gz QNAHXVBHXFWSDA-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)CCc1ccnn1C ZINC001498456910 1019136621 /nfs/dbraw/zinc/13/66/21/1019136621.db2.gz QNAHXVBHXFWSDA-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001496205993 1019161016 /nfs/dbraw/zinc/16/10/16/1019161016.db2.gz FMTGPOSVFJKXPA-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001496230626 1019178419 /nfs/dbraw/zinc/17/84/19/1019178419.db2.gz ZRQUEXLFPQACKI-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001496305862 1019230455 /nfs/dbraw/zinc/23/04/55/1019230455.db2.gz APXVCBXPLWOVRR-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001496305862 1019230471 /nfs/dbraw/zinc/23/04/71/1019230471.db2.gz APXVCBXPLWOVRR-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001501709936 1019403815 /nfs/dbraw/zinc/40/38/15/1019403815.db2.gz CYLBJGIHYJKTOM-VGWMRTNUSA-N 1 3 311.470 0.974 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001496563400 1019415441 /nfs/dbraw/zinc/41/54/41/1019415441.db2.gz XVYSSQRQRJVJSM-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001493666140 1019608477 /nfs/dbraw/zinc/60/84/77/1019608477.db2.gz ZBSOHITUEBKVHN-HNNXBMFYSA-N 1 3 307.442 0.761 20 0 DCADHO CN(CCN[C@H]1CCNC1=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001493730689 1019667340 /nfs/dbraw/zinc/66/73/40/1019667340.db2.gz BUXVJJFBMMGISY-HNNXBMFYSA-N 1 3 318.421 0.298 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001493769861 1019694971 /nfs/dbraw/zinc/69/49/71/1019694971.db2.gz UDSRNSZRXKQMLZ-MRXNPFEDSA-N 1 3 322.453 0.520 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494043546 1019945060 /nfs/dbraw/zinc/94/50/60/1019945060.db2.gz ROZXARVCMRZTSZ-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001494049088 1019946332 /nfs/dbraw/zinc/94/63/32/1019946332.db2.gz UTAXBNXUCIYKQD-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)NCCCN3CC[NH2+]CC3)[C@@H]2C1 ZINC000331371174 529796625 /nfs/dbraw/zinc/79/66/25/529796625.db2.gz DQKDGYZMNZOCHO-HUUCEWRRSA-N 1 3 309.458 0.017 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332578770 235134208 /nfs/dbraw/zinc/13/42/08/235134208.db2.gz ZOPOPPRFHATBFJ-KFWWJZLASA-N 1 3 322.453 0.282 20 0 DCADHO NC(=O)[C@@H]1CCCCN1CCCCC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000246901021 283316622 /nfs/dbraw/zinc/31/66/22/283316622.db2.gz HDEZQOSOKVFJTL-GJZGRUSLSA-N 1 3 324.469 0.836 20 0 DCADHO NC(=O)[C@@H]1CCCCN1CCCCC[N@H+]1CCCC[C@H]1C(N)=O ZINC000246901021 283316626 /nfs/dbraw/zinc/31/66/26/283316626.db2.gz HDEZQOSOKVFJTL-GJZGRUSLSA-N 1 3 324.469 0.836 20 0 DCADHO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000154765662 291215737 /nfs/dbraw/zinc/21/57/37/291215737.db2.gz ZYIXBDSFTPZZDG-KGLIPLIRSA-N 1 3 305.488 0.978 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410474620 239285922 /nfs/dbraw/zinc/28/59/22/239285922.db2.gz XVPCYSBZBIUIFB-AWEZNQCLSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000566667969 291317386 /nfs/dbraw/zinc/31/73/86/291317386.db2.gz BZCHYUFPRZETGF-YRGRVCCFSA-N 1 3 300.472 0.802 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000567779718 291376873 /nfs/dbraw/zinc/37/68/73/291376873.db2.gz VYIIMFLZYXMQOR-KRWDZBQOSA-N 1 3 318.465 0.873 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)[C@H]2C1 ZINC000567814642 291379406 /nfs/dbraw/zinc/37/94/06/291379406.db2.gz WMNRAXICVAGVMH-IPYPFGDCSA-N 1 3 318.425 0.196 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000571419080 291513778 /nfs/dbraw/zinc/51/37/78/291513778.db2.gz NNOSVAZRQQMIEK-IHRRRGAJSA-N 1 3 312.458 0.465 20 0 DCADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H]3OCCN[C@@H]3C2)cc1 ZINC000574332096 291688717 /nfs/dbraw/zinc/68/87/17/291688717.db2.gz ORWCYFYCCAIXSK-DJIMGWMZSA-N 1 3 305.422 0.800 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000339583168 253109141 /nfs/dbraw/zinc/10/91/41/253109141.db2.gz VQPSFYYLOAYOFW-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000339583168 253109143 /nfs/dbraw/zinc/10/91/43/253109143.db2.gz VQPSFYYLOAYOFW-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339963839 253171015 /nfs/dbraw/zinc/17/10/15/253171015.db2.gz HZSQKDNTJIXPFZ-HNNXBMFYSA-N 1 3 322.453 0.330 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000340212830 253219106 /nfs/dbraw/zinc/21/91/06/253219106.db2.gz SVRKIZCJLFPOLQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](C)C1 ZINC000346146949 254015828 /nfs/dbraw/zinc/01/58/28/254015828.db2.gz WEBXBHROFWISSA-NXOAAHMSSA-N 1 3 320.481 0.565 20 0 DCADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](C)C1 ZINC000346146949 254015830 /nfs/dbraw/zinc/01/58/30/254015830.db2.gz WEBXBHROFWISSA-NXOAAHMSSA-N 1 3 320.481 0.565 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346286864 254032466 /nfs/dbraw/zinc/03/24/66/254032466.db2.gz ONSLBUVDBCIFLG-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000346529790 254063870 /nfs/dbraw/zinc/06/38/70/254063870.db2.gz BQPQTBDBANOCJR-DOMZBBRYSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000346529790 254063872 /nfs/dbraw/zinc/06/38/72/254063872.db2.gz BQPQTBDBANOCJR-DOMZBBRYSA-N 1 3 322.453 0.138 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)C(C)C ZINC000348760541 254252630 /nfs/dbraw/zinc/25/26/30/254252630.db2.gz GPJNYZHCPXBVDY-CQSZACIVSA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)C(C)C ZINC000348760541 254252631 /nfs/dbraw/zinc/25/26/31/254252631.db2.gz GPJNYZHCPXBVDY-CQSZACIVSA-N 1 3 324.469 0.600 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000349692325 254293356 /nfs/dbraw/zinc/29/33/56/254293356.db2.gz KQNZVZBGXKRXMI-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000350947412 254330671 /nfs/dbraw/zinc/33/06/71/254330671.db2.gz FZSLVPUCOXUSDY-HNNXBMFYSA-N 1 3 310.486 0.813 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000349930738 254304400 /nfs/dbraw/zinc/30/44/00/254304400.db2.gz FTQVNYOSGANUEW-ZIAGYGMSSA-N 1 3 310.442 0.491 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000349930738 254304402 /nfs/dbraw/zinc/30/44/02/254304402.db2.gz FTQVNYOSGANUEW-ZIAGYGMSSA-N 1 3 310.442 0.491 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC000350322111 254315237 /nfs/dbraw/zinc/31/52/37/254315237.db2.gz HDUHXBHXMBOVRN-LBPRGKRZSA-N 1 3 300.403 0.004 20 0 DCADHO C[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000295017779 224382648 /nfs/dbraw/zinc/38/26/48/224382648.db2.gz MXUUTBVUESAJDA-BHYGNILZSA-N 1 3 316.449 0.829 20 0 DCADHO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000131105491 395924094 /nfs/dbraw/zinc/92/40/94/395924094.db2.gz DFSUGBYOXKDPCU-KGLIPLIRSA-N 1 3 316.515 0.455 20 0 DCADHO CCN(CC)CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000155628880 396055370 /nfs/dbraw/zinc/05/53/70/396055370.db2.gz LFMOVMLOEJJMDT-UHFFFAOYSA-N 1 3 308.426 0.980 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC000249404794 396007614 /nfs/dbraw/zinc/00/76/14/396007614.db2.gz CVMSATWKLPDRLB-UPJWGTAASA-N 1 3 314.430 0.296 20 0 DCADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCCCN1 ZINC000262084426 396096926 /nfs/dbraw/zinc/09/69/26/396096926.db2.gz TZMRQBIFZPKRCJ-WDEREUQCSA-N 1 3 308.348 0.081 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1=O ZINC000073290355 396143942 /nfs/dbraw/zinc/14/39/42/396143942.db2.gz ZBNZKCFKCKIOGN-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)C[C@H](C)[NH3+] ZINC000261873686 396074409 /nfs/dbraw/zinc/07/44/09/396074409.db2.gz RKBMPDNNIKKSOC-KBPBESRZSA-N 1 3 313.442 0.990 20 0 DCADHO CN(CC[C@H]1CCC[N@@H+]1C)C1CCN(S(C)(=O)=O)CC1 ZINC000162270663 396080580 /nfs/dbraw/zinc/08/05/80/396080580.db2.gz XAJJZHNUHOWLSE-CYBMUJFWSA-N 1 3 303.472 0.827 20 0 DCADHO CN(CC[C@H]1CCC[N@H+]1C)C1CCN(S(C)(=O)=O)CC1 ZINC000162270663 396080585 /nfs/dbraw/zinc/08/05/85/396080585.db2.gz XAJJZHNUHOWLSE-CYBMUJFWSA-N 1 3 303.472 0.827 20 0 DCADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN2CCCC[C@@H]2C1 ZINC000279020113 396147394 /nfs/dbraw/zinc/14/73/94/396147394.db2.gz ONQWPDMKJYNBOO-CHWSQXEVSA-N 1 3 303.410 0.797 20 0 DCADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN2CCCC[C@@H]2C1 ZINC000279020116 396147586 /nfs/dbraw/zinc/14/75/86/396147586.db2.gz ONQWPDMKJYNBOO-QWHCGFSZSA-N 1 3 303.410 0.797 20 0 DCADHO CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000074186469 396160247 /nfs/dbraw/zinc/16/02/47/396160247.db2.gz PXSJHJQHCCODFM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077807966 396233635 /nfs/dbraw/zinc/23/36/35/396233635.db2.gz FMLFNVILYFUZBZ-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077807966 396233636 /nfs/dbraw/zinc/23/36/36/396233636.db2.gz FMLFNVILYFUZBZ-ZDUSSCGKSA-N 1 3 300.447 0.473 20 0 DCADHO CC[NH+](CC)CCOC1CCN(CCCS(N)(=O)=O)CC1 ZINC000080645846 396283680 /nfs/dbraw/zinc/28/36/80/396283680.db2.gz SKFGDVWZGVOLRW-UHFFFAOYSA-N 1 3 321.487 0.488 20 0 DCADHO CCC[C@@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000265604517 396329696 /nfs/dbraw/zinc/32/96/96/396329696.db2.gz DAJSWCBDMGETKH-NMNJRUSRSA-N 1 3 324.469 0.623 20 0 DCADHO CCC[C@@H](CNC(=O)/C=C/CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265604517 396329697 /nfs/dbraw/zinc/32/96/97/396329697.db2.gz DAJSWCBDMGETKH-NMNJRUSRSA-N 1 3 324.469 0.623 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C2)CC1 ZINC000580772757 396498401 /nfs/dbraw/zinc/49/84/01/396498401.db2.gz UMVQUJOWRRTKDP-RYRKJORJSA-N 1 3 320.481 0.613 20 0 DCADHO C[C@H]([NH3+])CCC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000193323712 396449026 /nfs/dbraw/zinc/44/90/26/396449026.db2.gz ARGVZIBVBTYMRC-AWEZNQCLSA-N 1 3 307.442 0.933 20 0 DCADHO CC(=O)NCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000371833544 396478208 /nfs/dbraw/zinc/47/82/08/396478208.db2.gz AZKHQNQBBPXUQH-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CN(C)CCN(C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530775062 396583653 /nfs/dbraw/zinc/58/36/53/396583653.db2.gz YNEQBUUZGKWWDI-KRWDZBQOSA-N 1 3 305.422 0.643 20 0 DCADHO CN(C)CCN(C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530775062 396583656 /nfs/dbraw/zinc/58/36/56/396583656.db2.gz YNEQBUUZGKWWDI-KRWDZBQOSA-N 1 3 305.422 0.643 20 0 DCADHO CN1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](CN)C1 ZINC000581121242 396527231 /nfs/dbraw/zinc/52/72/31/396527231.db2.gz PUWNKUUYYGRLIC-UONOGXRCSA-N 1 3 313.490 0.637 20 0 DCADHO CCOCC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373072994 396563931 /nfs/dbraw/zinc/56/39/31/396563931.db2.gz ABHOJNKJKWUIPL-IXDOHACOSA-N 1 3 313.486 0.732 20 0 DCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000581596824 396567377 /nfs/dbraw/zinc/56/73/77/396567377.db2.gz AXEPXARRKQKQBG-CAOSSQGBSA-N 1 3 302.422 0.676 20 0 DCADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[C@@H](N2CCCC2)C1 ZINC000581664161 396572798 /nfs/dbraw/zinc/57/27/98/396572798.db2.gz AXPCFUSGKJNTAS-ZIAGYGMSSA-N 1 3 318.425 0.340 20 0 DCADHO CC(CNC(=O)/C=C/CN(C)C)CNC(=O)/C=C/C[NH+](C)C ZINC000294168335 396658501 /nfs/dbraw/zinc/65/85/01/396658501.db2.gz NMPGGTPCEJWDEL-CDJQDVQCSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC(=O)NC1CC1 ZINC000595900790 396679454 /nfs/dbraw/zinc/67/94/54/396679454.db2.gz LJNASHLRYLFHLG-CYBMUJFWSA-N 1 3 308.426 0.686 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)CCC[NH2+]1 ZINC000562815043 396681095 /nfs/dbraw/zinc/68/10/95/396681095.db2.gz BKDCNJKJFVLTDH-IAGOWNOFSA-N 1 3 324.469 0.882 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563116417 396704557 /nfs/dbraw/zinc/70/45/57/396704557.db2.gz HONAIFJEOVZLNY-LSDHHAIUSA-N 1 3 320.441 0.775 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000563116417 396704559 /nfs/dbraw/zinc/70/45/59/396704559.db2.gz HONAIFJEOVZLNY-LSDHHAIUSA-N 1 3 320.441 0.775 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000563116417 396704564 /nfs/dbraw/zinc/70/45/64/396704564.db2.gz HONAIFJEOVZLNY-LSDHHAIUSA-N 1 3 320.441 0.775 20 0 DCADHO CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[C@@H](CN)C(F)(F)F ZINC000595994662 396705387 /nfs/dbraw/zinc/70/53/87/396705387.db2.gz ILCOMPRCCQIXBU-WPRPVWTQSA-N 1 3 319.331 0.681 20 0 DCADHO CN(CCOCC[NH3+])CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000629579989 396798549 /nfs/dbraw/zinc/79/85/49/396798549.db2.gz RNTBSQDAVSHIEO-UHFFFAOYSA-N 1 3 308.382 0.021 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000563620420 396761688 /nfs/dbraw/zinc/76/16/88/396761688.db2.gz XUUKFJOTPUAJEP-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)CNC[C@@H]3CCCO3)cc2C1 ZINC000564442944 396831991 /nfs/dbraw/zinc/83/19/91/396831991.db2.gz KMSVDDCVKLSQHQ-OCCSQVGLSA-N 1 3 304.394 0.605 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](C2CC2)CC1 ZINC000375758777 396814013 /nfs/dbraw/zinc/81/40/13/396814013.db2.gz WCAYHYMMLNBAKU-HZPDHXFCSA-N 1 3 307.438 0.840 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000321109637 396815638 /nfs/dbraw/zinc/81/56/38/396815638.db2.gz WKYPNJNHPJMNNE-QGZVFWFLSA-N 1 3 316.449 0.627 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332314612 396883044 /nfs/dbraw/zinc/88/30/44/396883044.db2.gz QCIZIHFFIFRQNG-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C[C@@H]1C[NH3+] ZINC000332589115 396887129 /nfs/dbraw/zinc/88/71/29/396887129.db2.gz FNFYWOKKJZHHDM-QPSCCSFWSA-N 1 3 322.453 0.125 20 0 DCADHO CN(CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)C1CCC1 ZINC000629955248 396894669 /nfs/dbraw/zinc/89/46/69/396894669.db2.gz ZXIJWLFHVRXEHX-OAHLLOKOSA-N 1 3 322.453 0.411 20 0 DCADHO CN(CC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)C1CCC1 ZINC000629955248 396894673 /nfs/dbraw/zinc/89/46/73/396894673.db2.gz ZXIJWLFHVRXEHX-OAHLLOKOSA-N 1 3 322.453 0.411 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000611954901 396959017 /nfs/dbraw/zinc/95/90/17/396959017.db2.gz FBAOJQHHUZDUPG-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000611954901 396959021 /nfs/dbraw/zinc/95/90/21/396959021.db2.gz FBAOJQHHUZDUPG-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000571883470 396997866 /nfs/dbraw/zinc/99/78/66/396997866.db2.gz XLEIOMNQCRFQLO-HNNXBMFYSA-N 1 3 320.393 0.207 20 0 DCADHO C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCCN1C ZINC000343739470 397000174 /nfs/dbraw/zinc/00/01/74/397000174.db2.gz DNUJMSIPHKZPJI-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])CN1CCN(C)CC1 ZINC000345687988 397014812 /nfs/dbraw/zinc/01/48/12/397014812.db2.gz HYMBCFTXEWDYTR-HLLBOEOZSA-N 1 3 310.486 0.894 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000347018131 397026451 /nfs/dbraw/zinc/02/64/51/397026451.db2.gz QMVAZRVKXWXMQT-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000347018131 397026454 /nfs/dbraw/zinc/02/64/54/397026454.db2.gz QMVAZRVKXWXMQT-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000347318014 397029932 /nfs/dbraw/zinc/02/99/32/397029932.db2.gz SMMPOHNZFDCZML-OAGGEKHMSA-N 1 3 310.486 0.894 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](O)C3)CC2)CC1 ZINC000572541471 397071081 /nfs/dbraw/zinc/07/10/81/397071081.db2.gz BGNWVOZVEKRYPF-FZNQNYSPSA-N 1 3 309.454 0.822 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377529340 397095086 /nfs/dbraw/zinc/09/50/86/397095086.db2.gz BRSLXDVGEJEDRP-CVEARBPZSA-N 1 3 302.422 0.063 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000592145752 397104460 /nfs/dbraw/zinc/10/44/60/397104460.db2.gz ZFBIOCSFDYRLML-ZIAGYGMSSA-N 1 3 314.499 0.305 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000592145752 397104465 /nfs/dbraw/zinc/10/44/65/397104465.db2.gz ZFBIOCSFDYRLML-ZIAGYGMSSA-N 1 3 314.499 0.305 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612887694 397156078 /nfs/dbraw/zinc/15/60/78/397156078.db2.gz KZOWESZJCOPPFD-MRXNPFEDSA-N 1 3 312.458 0.927 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000377907091 397162277 /nfs/dbraw/zinc/16/22/77/397162277.db2.gz SKWZIHQDQLRKFM-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000377907091 397162279 /nfs/dbraw/zinc/16/22/79/397162279.db2.gz SKWZIHQDQLRKFM-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO O=C(N[C@H]1CC12CC[NH2+]CC2)NC1CCN([C@H]2CCOC2)CC1 ZINC000612994969 397175821 /nfs/dbraw/zinc/17/58/21/397175821.db2.gz KBSZRCGQBMDFKU-GJZGRUSLSA-N 1 3 322.453 0.681 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CCN3CCOCC3)C2)CCN1C ZINC000378170446 397203902 /nfs/dbraw/zinc/20/39/02/397203902.db2.gz SDTVOKUFFWJXEX-IKGGRYGDSA-N 1 3 310.486 0.465 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CCN1 ZINC000592543858 397206156 /nfs/dbraw/zinc/20/61/56/397206156.db2.gz RAUBDLXQHOVDSI-TZMCWYRMSA-N 1 3 305.426 0.789 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CCO1 ZINC000592560474 397216219 /nfs/dbraw/zinc/21/62/19/397216219.db2.gz UYSMCNOILLFRSP-QWHCGFSZSA-N 1 3 321.425 0.122 20 0 DCADHO O=C(NC1CCN(CCN2CC[NH2+]CC2)CC1)c1ccsc1 ZINC000573921778 397220292 /nfs/dbraw/zinc/22/02/92/397220292.db2.gz OQOAKYGPVCPQJF-UHFFFAOYSA-N 1 3 322.478 0.848 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592956076 397301519 /nfs/dbraw/zinc/30/15/19/397301519.db2.gz QRGWTYVPIQTHDL-QWHCGFSZSA-N 1 3 305.426 0.933 20 0 DCADHO C[C@@H](CNC(=O)NCCN1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000577269146 397317585 /nfs/dbraw/zinc/31/75/85/397317585.db2.gz BDVSKPNKGVMDKS-HNNXBMFYSA-N 1 3 311.474 0.311 20 0 DCADHO CC[C@H](C)NC(=O)CN1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414671238 397367622 /nfs/dbraw/zinc/36/76/22/397367622.db2.gz FQRLUDWHXKLCDK-HRCADAONSA-N 1 3 310.486 0.907 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419414487 397380683 /nfs/dbraw/zinc/38/06/83/397380683.db2.gz DZFDURGLYPVXEH-ILXRZTDVSA-N 1 3 324.469 0.611 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000369051735 397432400 /nfs/dbraw/zinc/43/24/00/397432400.db2.gz YQHHTTGURAPKOO-ARFHVFGLSA-N 1 3 322.453 0.729 20 0 DCADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000459706434 397434391 /nfs/dbraw/zinc/43/43/91/397434391.db2.gz NIVSXSUTLZNQGL-AEFFLSMTSA-N 1 3 319.449 0.614 20 0 DCADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000459706434 397434396 /nfs/dbraw/zinc/43/43/96/397434396.db2.gz NIVSXSUTLZNQGL-AEFFLSMTSA-N 1 3 319.449 0.614 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000578531456 397450059 /nfs/dbraw/zinc/45/00/59/397450059.db2.gz GRQKFHMYISGSBC-KKUMJFAQSA-N 1 3 320.441 0.534 20 0 DCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000578531457 397450262 /nfs/dbraw/zinc/45/02/62/397450262.db2.gz GRQKFHMYISGSBC-ZNMIVQPWSA-N 1 3 320.441 0.534 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423629418 397396924 /nfs/dbraw/zinc/39/69/24/397396924.db2.gz XEYCDTBSQMBGAO-GJZGRUSLSA-N 1 3 324.469 0.659 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000423629418 397396930 /nfs/dbraw/zinc/39/69/30/397396930.db2.gz XEYCDTBSQMBGAO-GJZGRUSLSA-N 1 3 324.469 0.659 20 0 DCADHO CN(C)CCn1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)n1 ZINC000578640752 397464785 /nfs/dbraw/zinc/46/47/85/397464785.db2.gz XCPNAQRXSDUSNX-UHFFFAOYSA-N 1 3 323.441 0.285 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@H]1[NH3+] ZINC000578738308 397475485 /nfs/dbraw/zinc/47/54/85/397475485.db2.gz GIOFKVGOMIPQMV-DZGCQCFKSA-N 1 3 322.453 0.269 20 0 DCADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1nc(N2CCNCC2)n[nH]1 ZINC000579351609 397556175 /nfs/dbraw/zinc/55/61/75/397556175.db2.gz SWIUCTXFJQKRHX-YOGCLGLASA-N 1 3 319.413 0.074 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000579580624 397580887 /nfs/dbraw/zinc/58/08/87/397580887.db2.gz LEGRNZLURKUWCG-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])N(C)C1 ZINC000333772947 286091455 /nfs/dbraw/zinc/09/14/55/286091455.db2.gz CJDBKMGUYDRXSF-QPSCCSFWSA-N 1 3 312.458 0.864 20 0 DCADHO CCN(CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)S(C)(=O)=O ZINC000127994533 158278408 /nfs/dbraw/zinc/27/84/08/158278408.db2.gz BGSVAFQKQHWRMO-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO CCN(CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)S(C)(=O)=O ZINC000127994533 158278410 /nfs/dbraw/zinc/27/84/10/158278410.db2.gz BGSVAFQKQHWRMO-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000359275697 159260362 /nfs/dbraw/zinc/26/03/62/159260362.db2.gz FVLSSRMIQCISMY-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246186809 287078545 /nfs/dbraw/zinc/07/85/45/287078545.db2.gz HYBIIGLZSPJASB-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246186809 287078548 /nfs/dbraw/zinc/07/85/48/287078548.db2.gz HYBIIGLZSPJASB-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000303999437 287142154 /nfs/dbraw/zinc/14/21/54/287142154.db2.gz QLAJLCWGTANJDI-CVEARBPZSA-N 1 3 300.443 0.959 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)CC[N@@H+]1C ZINC000354774762 287170365 /nfs/dbraw/zinc/17/03/65/287170365.db2.gz AYBLEFRFRZCGQS-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2(N(C)C)CCC2)CC[N@H+]1C ZINC000354774762 287170368 /nfs/dbraw/zinc/17/03/68/287170368.db2.gz AYBLEFRFRZCGQS-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418379034 287246516 /nfs/dbraw/zinc/24/65/16/287246516.db2.gz KEGNKFFOZUMXRM-OAHLLOKOSA-N 1 3 311.474 0.407 20 0 DCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H](CN)C2CC2)([NH+](C)C)C1 ZINC000418912330 287252571 /nfs/dbraw/zinc/25/25/71/287252571.db2.gz DVGWGEARVADZDL-SUYBPPKGSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CC[NH3+])N(C)Cc1ccccc1 ZINC000418946561 287256455 /nfs/dbraw/zinc/25/64/55/287256455.db2.gz NDFUKJRLYBLWTR-CYBMUJFWSA-N 1 3 306.410 0.040 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C[C@H]1[NH3+] ZINC000418995929 287260453 /nfs/dbraw/zinc/26/04/53/287260453.db2.gz NBVUGHQUFLYZQJ-IUODEOHRSA-N 1 3 318.421 0.170 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419021301 287261476 /nfs/dbraw/zinc/26/14/76/287261476.db2.gz GTDJRDMWZQQCPK-APIJFGDWSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+]C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000420291825 287286045 /nfs/dbraw/zinc/28/60/45/287286045.db2.gz LCMNMHQNMUJSPK-DOTOQJQBSA-N 1 3 318.465 0.947 20 0 DCADHO NC(=O)c1ccc(CN(CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000420300113 287287350 /nfs/dbraw/zinc/28/73/50/287287350.db2.gz HEYMCTPFGVUHOJ-UHFFFAOYSA-N 1 3 302.422 0.655 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000331634483 415161740 /nfs/dbraw/zinc/16/17/40/415161740.db2.gz SBCFYHFKFYMNCE-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331588650 415144385 /nfs/dbraw/zinc/14/43/85/415144385.db2.gz XZUWIYYQIMEPRK-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331588650 415144391 /nfs/dbraw/zinc/14/43/91/415144391.db2.gz XZUWIYYQIMEPRK-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C ZINC000331721653 415190834 /nfs/dbraw/zinc/19/08/34/415190834.db2.gz TTYQSFXFRBCBAX-APIJFGDWSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN1C ZINC000331721653 415190840 /nfs/dbraw/zinc/19/08/40/415190840.db2.gz TTYQSFXFRBCBAX-APIJFGDWSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000420444537 287298563 /nfs/dbraw/zinc/29/85/63/287298563.db2.gz RTZLYUIOLXDYLI-NXEZZACHSA-N 1 3 317.459 0.076 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000342688498 415255235 /nfs/dbraw/zinc/25/52/35/415255235.db2.gz BHULRNBWEPIBLH-KGLIPLIRSA-N 1 3 311.426 0.648 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000342688498 415255245 /nfs/dbraw/zinc/25/52/45/415255245.db2.gz BHULRNBWEPIBLH-KGLIPLIRSA-N 1 3 311.426 0.648 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342722231 415268351 /nfs/dbraw/zinc/26/83/51/415268351.db2.gz ATFSLIVSJLBEMY-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000342765415 415287756 /nfs/dbraw/zinc/28/77/56/415287756.db2.gz NXAGGCOIZXXFMJ-NWDGAFQWSA-N 1 3 301.431 0.750 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423356700 287304848 /nfs/dbraw/zinc/30/48/48/287304848.db2.gz HESRANOSRIRREQ-KGLIPLIRSA-N 1 3 322.457 0.867 20 0 DCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343201003 415498918 /nfs/dbraw/zinc/49/89/18/415498918.db2.gz CBCWOTWIKMFRRX-YYIAUSFCSA-N 1 3 322.497 0.859 20 0 DCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343201003 415498926 /nfs/dbraw/zinc/49/89/26/415498926.db2.gz CBCWOTWIKMFRRX-YYIAUSFCSA-N 1 3 322.497 0.859 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000333341149 415616462 /nfs/dbraw/zinc/61/64/62/415616462.db2.gz YAMPTLVTTNWMKB-JKSUJKDBSA-N 1 3 308.470 0.742 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000333341149 415616468 /nfs/dbraw/zinc/61/64/68/415616468.db2.gz YAMPTLVTTNWMKB-JKSUJKDBSA-N 1 3 308.470 0.742 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCOC2(CNC2)C1 ZINC000333380291 415629684 /nfs/dbraw/zinc/62/96/84/415629684.db2.gz NMSLJSVJXPYPME-CQSZACIVSA-N 1 3 310.442 0.635 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCOC2(CNC2)C1 ZINC000333380291 415629689 /nfs/dbraw/zinc/62/96/89/415629689.db2.gz NMSLJSVJXPYPME-CQSZACIVSA-N 1 3 310.442 0.635 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000343548622 415633118 /nfs/dbraw/zinc/63/31/18/415633118.db2.gz ZJJFEAZLRULJEL-JKSUJKDBSA-N 1 3 306.454 0.463 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000353574411 415594633 /nfs/dbraw/zinc/59/46/33/415594633.db2.gz BUNCHELKBVBTGW-HNNXBMFYSA-N 1 3 324.469 0.123 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000353574411 415594637 /nfs/dbraw/zinc/59/46/37/415594637.db2.gz BUNCHELKBVBTGW-HNNXBMFYSA-N 1 3 324.469 0.123 20 0 DCADHO Nc1ccncc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333523233 415673653 /nfs/dbraw/zinc/67/36/53/415673653.db2.gz GXKNVZLFUDXMRN-UHFFFAOYSA-N 1 3 303.410 0.440 20 0 DCADHO Nc1ccncc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333523233 415673657 /nfs/dbraw/zinc/67/36/57/415673657.db2.gz GXKNVZLFUDXMRN-UHFFFAOYSA-N 1 3 303.410 0.440 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H](N)CC3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000333614187 415696031 /nfs/dbraw/zinc/69/60/31/415696031.db2.gz SKHNOKGUFAGEGZ-HRCADAONSA-N 1 3 319.453 0.971 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343767337 415718278 /nfs/dbraw/zinc/71/82/78/415718278.db2.gz HOQRNCSINVQDAB-FFHGMXDLSA-N 1 3 307.438 0.601 20 0 DCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN2CCN1CCC2 ZINC000343779574 415724485 /nfs/dbraw/zinc/72/44/85/415724485.db2.gz LRCROHSEQDSKQH-OWCLPIDISA-N 1 3 306.454 0.462 20 0 DCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN2CCN1CCC2 ZINC000343779574 415724490 /nfs/dbraw/zinc/72/44/90/415724490.db2.gz LRCROHSEQDSKQH-OWCLPIDISA-N 1 3 306.454 0.462 20 0 DCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CNCCO1 ZINC000333794483 415741042 /nfs/dbraw/zinc/74/10/42/415741042.db2.gz MZDLSSYDSLYLOV-LJISPDSOSA-N 1 3 312.458 0.640 20 0 DCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CNCCO1 ZINC000333794483 415741050 /nfs/dbraw/zinc/74/10/50/415741050.db2.gz MZDLSSYDSLYLOV-LJISPDSOSA-N 1 3 312.458 0.640 20 0 DCADHO CO[C@@H](CN)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000289993552 415746787 /nfs/dbraw/zinc/74/67/87/415746787.db2.gz OYAOZTXGFRFUBB-INIZCTEOSA-N 1 3 305.422 0.783 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000356204352 415882241 /nfs/dbraw/zinc/88/22/41/415882241.db2.gz MLVDMHZBRQWSLJ-GJZGRUSLSA-N 1 3 303.410 0.841 20 0 DCADHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000356204352 415882242 /nfs/dbraw/zinc/88/22/42/415882242.db2.gz MLVDMHZBRQWSLJ-GJZGRUSLSA-N 1 3 303.410 0.841 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000344486174 415926694 /nfs/dbraw/zinc/92/66/94/415926694.db2.gz QPZXVGZUNAEWGO-HNNXBMFYSA-N 1 3 314.474 0.720 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000344545891 415944680 /nfs/dbraw/zinc/94/46/80/415944680.db2.gz OAZDKKBDBHYLDV-CQSZACIVSA-N 1 3 305.426 0.947 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000344545891 415944686 /nfs/dbraw/zinc/94/46/86/415944686.db2.gz OAZDKKBDBHYLDV-CQSZACIVSA-N 1 3 305.426 0.947 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000356553098 415949769 /nfs/dbraw/zinc/94/97/69/415949769.db2.gz QBYXYEANANUNSY-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000356553098 415949773 /nfs/dbraw/zinc/94/97/73/415949773.db2.gz QBYXYEANANUNSY-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC[C@](C)(O)C[NH+](C)C)CCSC1 ZINC000337653183 415990671 /nfs/dbraw/zinc/99/06/71/415990671.db2.gz LPHPNUACLPYORW-UONOGXRCSA-N 1 3 318.487 0.036 20 0 DCADHO NC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCCC1 ZINC000357247062 416052750 /nfs/dbraw/zinc/05/27/50/416052750.db2.gz YYSNWJSYBPOSRD-NSHDSACASA-N 1 3 322.375 0.600 20 0 DCADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000167418061 416022387 /nfs/dbraw/zinc/02/23/87/416022387.db2.gz FVKOQACZABIBHQ-INIZCTEOSA-N 1 3 317.433 0.869 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)CC1 ZINC000345011000 416027523 /nfs/dbraw/zinc/02/75/23/416027523.db2.gz HAUXHMPNYMQKNT-SJORKVTESA-N 1 3 320.481 0.567 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000357073668 416030452 /nfs/dbraw/zinc/03/04/52/416030452.db2.gz IBQYZUUTAIVYJW-RDJZCZTQSA-N 1 3 322.497 0.861 20 0 DCADHO COCCCn1nccc1CNC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000338432388 416097611 /nfs/dbraw/zinc/09/76/11/416097611.db2.gz VMWLKIAJMKUFJW-MRXNPFEDSA-N 1 3 323.485 0.893 20 0 DCADHO CC(C)[C@H](CNC(=O)N(C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000176190524 416121121 /nfs/dbraw/zinc/12/11/21/416121121.db2.gz QPDFXWIVICFWAX-HNNXBMFYSA-N 1 3 313.490 0.461 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCN1C ZINC000345802180 416153703 /nfs/dbraw/zinc/15/37/03/416153703.db2.gz ZSUIPRWGXKEKMK-KFWWJZLASA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000346025145 416187116 /nfs/dbraw/zinc/18/71/16/416187116.db2.gz AAQAABUZLWLLGA-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000346025145 416187120 /nfs/dbraw/zinc/18/71/20/416187120.db2.gz AAQAABUZLWLLGA-ZNMIVQPWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)C(C)(C)C[NH+](C)C ZINC000346344636 416193617 /nfs/dbraw/zinc/19/36/17/416193617.db2.gz UQQPQDXWHCAAJZ-ZDUSSCGKSA-N 1 3 324.473 1.543 20 0 DCADHO CC(C)N1CCC[N@H+](C[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358503198 416244538 /nfs/dbraw/zinc/24/45/38/416244538.db2.gz XLVKMRUIBBCWST-BRWVUGGUSA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)N1CCC[N@@H+](C[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358503198 416244541 /nfs/dbraw/zinc/24/45/41/416244541.db2.gz XLVKMRUIBBCWST-BRWVUGGUSA-N 1 3 313.486 0.873 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358508754 416246580 /nfs/dbraw/zinc/24/65/80/416246580.db2.gz LYAINGHFWGGDJX-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO Cc1ccc([C@H](N)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000262674992 416337191 /nfs/dbraw/zinc/33/71/91/416337191.db2.gz TZFJTKMQVCIXIR-RDJZCZTQSA-N 1 3 318.465 0.995 20 0 DCADHO C[C@@H](CNC(=O)[C@](C)(N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000262762856 416337228 /nfs/dbraw/zinc/33/72/28/416337228.db2.gz AMGYIBSZSXRJOT-MAUKXSAKSA-N 1 3 318.465 0.860 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000263270915 416337569 /nfs/dbraw/zinc/33/75/69/416337569.db2.gz WXSJTIIEJAEHBV-ZBFHGGJFSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CNC(=O)[C@@H](N)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000237566367 416328686 /nfs/dbraw/zinc/32/86/86/416328686.db2.gz XKSRGEFJAKRANB-HOCLYGCPSA-N 1 3 304.438 0.686 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000419954363 416415739 /nfs/dbraw/zinc/41/57/39/416415739.db2.gz MEWJQSAFTGFWDF-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360172760 416376941 /nfs/dbraw/zinc/37/69/41/416376941.db2.gz VCBVCYPBWRWKBP-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360172760 416376943 /nfs/dbraw/zinc/37/69/43/416376943.db2.gz VCBVCYPBWRWKBP-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO COCCNCCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000417555954 416383382 /nfs/dbraw/zinc/38/33/82/416383382.db2.gz ZDRFMMCNRATWID-AWEZNQCLSA-N 1 3 300.447 0.642 20 0 DCADHO COCCNCCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000417555954 416383383 /nfs/dbraw/zinc/38/33/83/416383383.db2.gz ZDRFMMCNRATWID-AWEZNQCLSA-N 1 3 300.447 0.642 20 0 DCADHO C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)[C@@H]1CCC[NH2+]C1 ZINC000418307237 416386257 /nfs/dbraw/zinc/38/62/57/416386257.db2.gz CPKSXEICDHNZSD-ZNMIVQPWSA-N 1 3 312.458 0.521 20 0 DCADHO [NH3+][C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000418450218 416387018 /nfs/dbraw/zinc/38/70/18/416387018.db2.gz LFRPJPNKIIIKSV-JKSUJKDBSA-N 1 3 320.437 0.832 20 0 DCADHO N[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000418442373 416387171 /nfs/dbraw/zinc/38/71/71/416387171.db2.gz DQSJUMLTTJOCSI-HZPDHXFCSA-N 1 3 317.437 0.376 20 0 DCADHO C[NH2+][C@@H](C)CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418628932 416388066 /nfs/dbraw/zinc/38/80/66/416388066.db2.gz PTUIQJCBRISDAT-UONOGXRCSA-N 1 3 311.474 0.404 20 0 DCADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CCCN(CCCO)C1 ZINC000418663459 416388548 /nfs/dbraw/zinc/38/85/48/416388548.db2.gz XDKHMDXGUYAOPJ-HRCADAONSA-N 1 3 324.469 0.521 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419142417 416397111 /nfs/dbraw/zinc/39/71/11/416397111.db2.gz BXUXCWOMMUYHGR-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000419528077 416403341 /nfs/dbraw/zinc/40/33/41/416403341.db2.gz VZKKUXMZIMXCKT-RDBSUJKOSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000419528077 416403342 /nfs/dbraw/zinc/40/33/42/416403342.db2.gz VZKKUXMZIMXCKT-RDBSUJKOSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419689857 416405264 /nfs/dbraw/zinc/40/52/64/416405264.db2.gz CMFRNVUPAJCCCC-HUUCEWRRSA-N 1 3 324.469 0.467 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419763519 416409443 /nfs/dbraw/zinc/40/94/43/416409443.db2.gz ODJHZVWKLNWDOH-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423065954 416464766 /nfs/dbraw/zinc/46/47/66/416464766.db2.gz VSGURZBNBQHZKW-KBPBESRZSA-N 1 3 312.458 0.228 20 0 DCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N(C)CC[NH3+] ZINC000423167950 416472783 /nfs/dbraw/zinc/47/27/83/416472783.db2.gz SUUAXTOGJLDDQN-UHFFFAOYSA-N 1 3 324.400 0.133 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000423243439 416479840 /nfs/dbraw/zinc/47/98/40/416479840.db2.gz WMFAWFXTXFXELO-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO O=C(N1CCC(OCC[NH+]2CCCC2)CC1)[C@]1(F)CCNC1 ZINC000361719140 416482829 /nfs/dbraw/zinc/48/28/29/416482829.db2.gz SKFBHLTXHKYQNE-INIZCTEOSA-N 1 3 313.417 0.791 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCCN1C ZINC000458676479 416489465 /nfs/dbraw/zinc/48/94/65/416489465.db2.gz ZGHKRGMSORDVJN-KFWWJZLASA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CCCN1C ZINC000458676479 416489467 /nfs/dbraw/zinc/48/94/67/416489467.db2.gz ZGHKRGMSORDVJN-KFWWJZLASA-N 1 3 312.458 0.615 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422292293 416425000 /nfs/dbraw/zinc/42/50/00/416425000.db2.gz IJYYTPWUIIHDAO-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422292293 416425001 /nfs/dbraw/zinc/42/50/01/416425001.db2.gz IJYYTPWUIIHDAO-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO O=C(C1CCC1)N1CCN(CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000422954419 416450171 /nfs/dbraw/zinc/45/01/71/416450171.db2.gz IQMRCPOCFCNUAK-INIZCTEOSA-N 1 3 308.470 0.662 20 0 DCADHO Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422939108 416450501 /nfs/dbraw/zinc/45/05/01/416450501.db2.gz QUIMZRKEFSMEMB-DZGCQCFKSA-N 1 3 311.451 0.990 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000423523762 416521746 /nfs/dbraw/zinc/52/17/46/416521746.db2.gz NOQIKMAFBOANNY-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535716856 416526785 /nfs/dbraw/zinc/52/67/85/416526785.db2.gz RCDJIASZGRWZMG-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535716856 416526789 /nfs/dbraw/zinc/52/67/89/416526789.db2.gz RCDJIASZGRWZMG-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000423717596 416545764 /nfs/dbraw/zinc/54/57/64/416545764.db2.gz BCTCLBDTJLJARE-ILXRZTDVSA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)C1 ZINC000423717596 416545767 /nfs/dbraw/zinc/54/57/67/416545767.db2.gz BCTCLBDTJLJARE-ILXRZTDVSA-N 1 3 324.469 0.372 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCC(=O)NC1CCCC1 ZINC000436059962 416548770 /nfs/dbraw/zinc/54/87/70/416548770.db2.gz PETKYAJPZBKQFV-HNNXBMFYSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C2CC2)[C@@H]1C[NH3+] ZINC000423722374 416550250 /nfs/dbraw/zinc/55/02/50/416550250.db2.gz FQHLZDUXCGUXMR-TZMCWYRMSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)[C@H]1CN ZINC000423726122 416550566 /nfs/dbraw/zinc/55/05/66/416550566.db2.gz IDXQKWHYMDXRIT-GJZGRUSLSA-N 1 3 324.469 0.517 20 0 DCADHO COCCN1CC[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423381183 416500782 /nfs/dbraw/zinc/50/07/82/416500782.db2.gz HULOELPUSWLQBN-STQMWFEESA-N 1 3 324.391 0.133 20 0 DCADHO C[NH2+]CCc1ccccc1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000423398274 416503947 /nfs/dbraw/zinc/50/39/47/416503947.db2.gz UHCPAKSFHWWERN-UHFFFAOYSA-N 1 3 315.421 1.459 20 0 DCADHO CC(C)[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423405558 416506039 /nfs/dbraw/zinc/50/60/39/416506039.db2.gz ZUALOCLLPGVEJA-HOCLYGCPSA-N 1 3 324.469 0.372 20 0 DCADHO COCCN(C)CCCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424136748 416613627 /nfs/dbraw/zinc/61/36/27/416613627.db2.gz RIWAAQKPSUSJSM-CYBMUJFWSA-N 1 3 323.441 0.575 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424138371 416616668 /nfs/dbraw/zinc/61/66/68/416616668.db2.gz QCGSXBAEYCRSEN-OLZOCXBDSA-N 1 3 306.414 0.417 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424194186 416624993 /nfs/dbraw/zinc/62/49/93/416624993.db2.gz RWXBFXQPDIRSCK-MJBXVCDLSA-N 1 3 311.426 0.600 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424223521 416629909 /nfs/dbraw/zinc/62/99/09/416629909.db2.gz HUCJNNSTCLGVGC-RRFJBIMHSA-N 1 3 305.426 0.548 20 0 DCADHO COCCN(C)C[C@@H](O)Cn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000641223754 416744371 /nfs/dbraw/zinc/74/43/71/416744371.db2.gz QOZFQVBYLRDWGN-OAHLLOKOSA-N 1 3 319.409 0.343 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000368922786 416707582 /nfs/dbraw/zinc/70/75/82/416707582.db2.gz NANQETBJBRYNSM-MRXNPFEDSA-N 1 3 308.470 0.711 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614848720 416713637 /nfs/dbraw/zinc/71/36/37/416713637.db2.gz SNJXVBLWAWEVSD-IAGOWNOFSA-N 1 3 319.449 0.905 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000516179999 416717969 /nfs/dbraw/zinc/71/79/69/416717969.db2.gz QTZAVERINBCGSZ-HOCLYGCPSA-N 1 3 317.437 0.158 20 0 DCADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443063122 416729409 /nfs/dbraw/zinc/72/94/09/416729409.db2.gz VZKACUSNTJBMQB-DZGCQCFKSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]C1 ZINC000517031182 416774557 /nfs/dbraw/zinc/77/45/57/416774557.db2.gz JKPBVGSZFXTKIE-UKRRQHHQSA-N 1 3 306.414 0.290 20 0 DCADHO CCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000426564343 416775424 /nfs/dbraw/zinc/77/54/24/416775424.db2.gz DDMMANMRRORRSG-HUUCEWRRSA-N 1 3 312.458 0.615 20 0 DCADHO O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000631891266 416780108 /nfs/dbraw/zinc/78/01/08/416780108.db2.gz ZXEQGMFQSZEJLO-HNNXBMFYSA-N 1 3 315.483 0.972 20 0 DCADHO CN1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](CN)C1 ZINC000517225118 416788682 /nfs/dbraw/zinc/78/86/82/416788682.db2.gz DGEHGGGUTHCDTH-AWEZNQCLSA-N 1 3 311.474 0.393 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCCN1C1CCOCC1 ZINC000519151137 416894891 /nfs/dbraw/zinc/89/48/91/416894891.db2.gz GBQGYFPXXUPMRF-INIZCTEOSA-N 1 3 324.469 0.041 20 0 DCADHO C[C@H](C(=O)N1CCCC1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000520413014 416962464 /nfs/dbraw/zinc/96/24/64/416962464.db2.gz JDRPKHXOTSNMFD-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000371534468 416916335 /nfs/dbraw/zinc/91/63/35/416916335.db2.gz NYIXTLFTTLNXRD-ZIAGYGMSSA-N 1 3 320.441 1.003 20 0 DCADHO CN(C)CCOCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000446890825 416952999 /nfs/dbraw/zinc/95/29/99/416952999.db2.gz PURXDYIYDPPJQX-UHFFFAOYSA-N 1 3 312.458 0.738 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000565651653 417004377 /nfs/dbraw/zinc/00/43/77/417004377.db2.gz OQOODSYSTDFLCI-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO O=C(NCCN1CCCCCC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000565715331 417009946 /nfs/dbraw/zinc/00/99/46/417009946.db2.gz YAXQMCFFLZPWAP-AWEZNQCLSA-N 1 3 320.441 0.808 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785668 417096379 /nfs/dbraw/zinc/09/63/79/417096379.db2.gz CNBIMKWATJVFNG-CYBMUJFWSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000642785703 417097843 /nfs/dbraw/zinc/09/78/43/417097843.db2.gz DTDMTZGTFPXVLL-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)[C@H]1CC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000431027418 417099647 /nfs/dbraw/zinc/09/96/47/417099647.db2.gz WAQPOZOKLCXQPY-AWEZNQCLSA-N 1 3 305.426 0.415 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@H]1C[NH3+] ZINC000642785812 417100240 /nfs/dbraw/zinc/10/02/40/417100240.db2.gz MBAPDPAPBUMWBD-YUELXQCFSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](CNC(=O)CN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390791851 417101388 /nfs/dbraw/zinc/10/13/88/417101388.db2.gz XAGWUSSNLJCLHR-OAHLLOKOSA-N 1 3 304.438 0.528 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000430784509 417067613 /nfs/dbraw/zinc/06/76/13/417067613.db2.gz HMBONTHDMZIDNL-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000430801610 417070533 /nfs/dbraw/zinc/07/05/33/417070533.db2.gz FDJNTTHOUQLQPK-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000430801610 417070540 /nfs/dbraw/zinc/07/05/40/417070540.db2.gz FDJNTTHOUQLQPK-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO O=C(NCC[NH2+]C1CC1)N1CCN(CC2CCOCC2)CC1 ZINC000637363174 417081668 /nfs/dbraw/zinc/08/16/68/417081668.db2.gz PZZJMMHQNQMAHS-UHFFFAOYSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000642732171 417084191 /nfs/dbraw/zinc/08/41/91/417084191.db2.gz QIWVXKVVVOTMSO-RHSMWYFYSA-N 1 3 322.453 0.047 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642755834 417089420 /nfs/dbraw/zinc/08/94/20/417089420.db2.gz CDWCZKCXWFLKRK-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000568293570 417120320 /nfs/dbraw/zinc/12/03/20/417120320.db2.gz AZSWQXHGMBEJGW-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000449112981 417122383 /nfs/dbraw/zinc/12/23/83/417122383.db2.gz FFMCKZVPAZWFRS-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000449112982 417122922 /nfs/dbraw/zinc/12/29/22/417122922.db2.gz FFMCKZVPAZWFRS-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000642950357 417128487 /nfs/dbraw/zinc/12/84/87/417128487.db2.gz GZTOUHQKQMLFBS-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000642969039 417135439 /nfs/dbraw/zinc/13/54/39/417135439.db2.gz DHWHFYXCVSCHPU-GJZGRUSLSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642985835 417137856 /nfs/dbraw/zinc/13/78/56/417137856.db2.gz CHYHCQWEPSCNCE-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642980013 417135957 /nfs/dbraw/zinc/13/59/57/417135957.db2.gz UNTAHARCYAEXAJ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000637746291 417171535 /nfs/dbraw/zinc/17/15/35/417171535.db2.gz QJXAJDNQXDLOFY-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H](CNC(=O)N(C)CCOCC[NH3+])N1CCC[C@H](C)C1 ZINC000626934560 417177315 /nfs/dbraw/zinc/17/73/15/417177315.db2.gz IIHFQBLUMQDJOG-KBPBESRZSA-N 1 3 300.447 0.724 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643513865 417229687 /nfs/dbraw/zinc/22/96/87/417229687.db2.gz ATWCDRWKJGQWIL-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000411025483 417187449 /nfs/dbraw/zinc/18/74/49/417187449.db2.gz MLVIKYZONCSPSA-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637805591 417190492 /nfs/dbraw/zinc/19/04/92/417190492.db2.gz ZYWHAPUNMJMMNH-CJNGLKHVSA-N 1 3 307.394 0.567 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637815841 417196469 /nfs/dbraw/zinc/19/64/69/417196469.db2.gz CGZSESROSSOSBI-CQSZACIVSA-N 1 3 301.431 0.311 20 0 DCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637851395 417205541 /nfs/dbraw/zinc/20/55/41/417205541.db2.gz HVAAFUJIVYFKSP-DOTOQJQBSA-N 1 3 306.454 0.935 20 0 DCADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN(C)S(C)(=O)=O ZINC000643460813 417214295 /nfs/dbraw/zinc/21/42/95/417214295.db2.gz HRDCXCFRMASRRP-UKRRQHHQSA-N 1 3 313.467 0.816 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000643500352 417228392 /nfs/dbraw/zinc/22/83/92/417228392.db2.gz IKVLVJQYMOVZCF-QGZVFWFLSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000637986582 417269633 /nfs/dbraw/zinc/26/96/33/417269633.db2.gz VQNGNKHTQQCRBC-GJZGRUSLSA-N 1 3 309.458 0.160 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000643552933 417242711 /nfs/dbraw/zinc/24/27/11/417242711.db2.gz ZIHKSCKKEKGZDY-BFHYXJOUSA-N 1 3 322.453 0.125 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000415296185 417361285 /nfs/dbraw/zinc/36/12/85/417361285.db2.gz ILQPUOCYJNXRII-CQSZACIVSA-N 1 3 318.421 0.815 20 0 DCADHO Cc1c(C(=O)N2C[C@H](C)NC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000570513018 417361949 /nfs/dbraw/zinc/36/19/49/417361949.db2.gz WEAWLXJIWDCRDI-WDEREUQCSA-N 1 3 306.414 0.333 20 0 DCADHO C[C@@H]1C[C@H](CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC[NH2+]1 ZINC000414759024 417303691 /nfs/dbraw/zinc/30/36/91/417303691.db2.gz WAOCXCUULBPELK-RBSFLKMASA-N 1 3 315.483 0.874 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414842287 417305529 /nfs/dbraw/zinc/30/55/29/417305529.db2.gz MEBLOFIKPPBAAC-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000621831427 417309918 /nfs/dbraw/zinc/30/99/18/417309918.db2.gz DKBNHSZLBGPOHX-NSHDSACASA-N 1 3 322.409 0.549 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000638095720 417322184 /nfs/dbraw/zinc/32/21/84/417322184.db2.gz CLJLEZQZIWZFSZ-DLBZAZTESA-N 1 3 318.465 0.998 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000570308255 417338933 /nfs/dbraw/zinc/33/89/33/417338933.db2.gz POHKSPWNWXTPQE-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCN)cc2)CC1 ZINC000415264944 417348556 /nfs/dbraw/zinc/34/85/56/417348556.db2.gz DOIXJQLHDZLANU-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000638336880 417424436 /nfs/dbraw/zinc/42/44/36/417424436.db2.gz ISAMTCXFRGCEKR-GDBMZVCRSA-N 1 3 315.458 0.415 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000638206655 417375681 /nfs/dbraw/zinc/37/56/81/417375681.db2.gz MSEMTMCNOFIWPB-ZIAGYGMSSA-N 1 3 301.431 0.228 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]CCCCN2CCOCC2)CC1 ZINC000638369760 417435157 /nfs/dbraw/zinc/43/51/57/417435157.db2.gz FCCZSGLBNXCHOT-UHFFFAOYSA-N 1 3 313.486 0.924 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638398584 417442341 /nfs/dbraw/zinc/44/23/41/417442341.db2.gz VJUDIBZEDVUQQL-FVQBIDKESA-N 1 3 304.438 0.784 20 0 DCADHO C[C@H](CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[NH+](C)C ZINC000638407483 417447249 /nfs/dbraw/zinc/44/72/49/417447249.db2.gz AIIGYMUXPXDTFA-ZBFHGGJFSA-N 1 3 306.454 0.902 20 0 DCADHO C[C@H]([NH3+])CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000638438357 417457596 /nfs/dbraw/zinc/45/75/96/417457596.db2.gz BNEAMMUIIHRRMQ-QWHCGFSZSA-N 1 3 320.441 0.263 20 0 DCADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914036 417583778 /nfs/dbraw/zinc/58/37/78/417583778.db2.gz IWEPSCUGSRZMCM-JYJNAYRXSA-N 1 3 300.406 0.866 20 0 DCADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3(C)C)C2)CC1 ZINC000644536928 417615624 /nfs/dbraw/zinc/61/56/24/417615624.db2.gz AKNJOQHVVQQDCZ-ZFWWWQNUSA-N 1 3 308.470 0.802 20 0 DCADHO C[C@H]1CCN[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638985721 417598418 /nfs/dbraw/zinc/59/84/18/417598418.db2.gz NBZTUSRKLAEZRR-JSGCOSHPSA-N 1 3 303.410 0.818 20 0 DCADHO C[C@@H]1[C@H](C(=O)Nc2cc(N3CCNCC3)ccn2)CC[N@@H+]1C ZINC000638986069 417600371 /nfs/dbraw/zinc/60/03/71/417600371.db2.gz TWQRSMHKSRBVQD-TZMCWYRMSA-N 1 3 303.410 0.770 20 0 DCADHO C[C@@H]1[C@H](C(=O)Nc2cc(N3CCNCC3)ccn2)CC[N@H+]1C ZINC000638986069 417600377 /nfs/dbraw/zinc/60/03/77/417600377.db2.gz TWQRSMHKSRBVQD-TZMCWYRMSA-N 1 3 303.410 0.770 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000576396984 417603701 /nfs/dbraw/zinc/60/37/01/417603701.db2.gz QBJDGUDNQVKCNK-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561599 417618063 /nfs/dbraw/zinc/61/80/63/417618063.db2.gz BWCJRBMHNVIZFW-WBVHZDCISA-N 1 3 313.486 0.778 20 0 DCADHO COCC[NH2+]CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000580429397 417701047 /nfs/dbraw/zinc/70/10/47/417701047.db2.gz BZRVXOCQEPUEDN-INIZCTEOSA-N 1 3 320.437 0.646 20 0 DCADHO CC[NH+]1CCN(CCNC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635556942 417701110 /nfs/dbraw/zinc/70/11/10/417701110.db2.gz XEDYKLBFHUUIIG-MRXNPFEDSA-N 1 3 308.470 0.757 20 0 DCADHO c1ccc(CCN2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000577181851 417671337 /nfs/dbraw/zinc/67/13/37/417671337.db2.gz SCGZIJFYLSXOHC-UHFFFAOYSA-N 1 3 302.466 0.752 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)C12CCC[NH+](CCC1)C2 ZINC000635976720 417823469 /nfs/dbraw/zinc/82/34/69/417823469.db2.gz MHCMTSVYIAAXKC-HNNXBMFYSA-N 1 3 309.454 0.825 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000630747987 417824180 /nfs/dbraw/zinc/82/41/80/417824180.db2.gz BHJUPGXTVBXSCV-GJZGRUSLSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000630747987 417824184 /nfs/dbraw/zinc/82/41/84/417824184.db2.gz BHJUPGXTVBXSCV-GJZGRUSLSA-N 1 3 305.426 0.801 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)c1ccc2c(c1)CNC2 ZINC000662632754 417827049 /nfs/dbraw/zinc/82/70/49/417827049.db2.gz GWATXANYXAZDTR-UHFFFAOYSA-N 1 3 304.438 0.903 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CCN1 ZINC000662515691 417789482 /nfs/dbraw/zinc/78/94/82/417789482.db2.gz RQOILNCMDQZELJ-CYBMUJFWSA-N 1 3 306.414 0.273 20 0 DCADHO O=C(C[C@@H]1NCc2ccccc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662517190 417790649 /nfs/dbraw/zinc/79/06/49/417790649.db2.gz KJLUBFMKHDCMHB-RDJZCZTQSA-N 1 3 314.433 0.727 20 0 DCADHO [NH3+]CCOCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000645974244 417838756 /nfs/dbraw/zinc/83/87/56/417838756.db2.gz DCCPEWRITBJLAP-UHFFFAOYSA-N 1 3 315.483 0.830 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccn(C)c(=O)c1 ZINC000640214843 417805418 /nfs/dbraw/zinc/80/54/18/417805418.db2.gz HXOVKLUEGGGCPP-ZDUSSCGKSA-N 1 3 323.441 0.779 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccn(C)c(=O)c1 ZINC000640214843 417805422 /nfs/dbraw/zinc/80/54/22/417805422.db2.gz HXOVKLUEGGGCPP-ZDUSSCGKSA-N 1 3 323.441 0.779 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C1 ZINC000640267452 417809713 /nfs/dbraw/zinc/80/97/13/417809713.db2.gz BBCYMMZUSQWNJS-LSDHHAIUSA-N 1 3 309.458 0.145 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC(=O)NCCN2CCCCCC2)CC1 ZINC000635961885 417817575 /nfs/dbraw/zinc/81/75/75/417817575.db2.gz STJBKGXZFSPCAF-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000662679736 417849396 /nfs/dbraw/zinc/84/93/96/417849396.db2.gz CEBOILOMPXDOKY-DLBZAZTESA-N 1 3 317.433 0.915 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)CC1 ZINC000636088117 417867699 /nfs/dbraw/zinc/86/76/99/417867699.db2.gz FYVYSXHPNOOURM-GJZGRUSLSA-N 1 3 310.486 0.859 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000646557941 417868902 /nfs/dbraw/zinc/86/89/02/417868902.db2.gz QJUOFRYRYCIASR-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[NH2+][C@@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000646557940 417869547 /nfs/dbraw/zinc/86/95/47/417869547.db2.gz QJUOFRYRYCIASR-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662746416 417882297 /nfs/dbraw/zinc/88/22/97/417882297.db2.gz KXUDYNIOFRLFMS-UHFFFAOYSA-N 1 3 302.382 0.859 20 0 DCADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000662660139 417841258 /nfs/dbraw/zinc/84/12/58/417841258.db2.gz YHKRGQZDFQZYDP-INIZCTEOSA-N 1 3 305.422 0.737 20 0 DCADHO CC[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663015403 417976947 /nfs/dbraw/zinc/97/69/47/417976947.db2.gz VCTUTNMSZDYMAX-OLZOCXBDSA-N 1 3 320.441 0.263 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)nn1 ZINC000662835085 417920018 /nfs/dbraw/zinc/92/00/18/417920018.db2.gz KYDJEGKDDFSKLH-TZMCWYRMSA-N 1 3 306.414 0.374 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCC(C)CC1 ZINC000652677759 417943278 /nfs/dbraw/zinc/94/32/78/417943278.db2.gz GZGBPOFRFMTDDM-AWEZNQCLSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@H]1C[NH3+] ZINC000652732195 417959302 /nfs/dbraw/zinc/95/93/02/417959302.db2.gz FVNPZDMPMRDJOI-LSDHHAIUSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732588 417959471 /nfs/dbraw/zinc/95/94/71/417959471.db2.gz OKIBWAORRIARDK-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@@H]1C[NH3+] ZINC000652732193 417960062 /nfs/dbraw/zinc/96/00/62/417960062.db2.gz FVNPZDMPMRDJOI-GJZGRUSLSA-N 1 3 324.469 0.374 20 0 DCADHO Nc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000647509527 418016628 /nfs/dbraw/zinc/01/66/28/418016628.db2.gz LLRIWPYIISCBKV-UKRRQHHQSA-N 1 3 317.437 0.574 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000663403011 418016907 /nfs/dbraw/zinc/01/69/07/418016907.db2.gz QVPBOMQYSGZBFW-OAHLLOKOSA-N 1 3 312.458 0.881 20 0 DCADHO c1ncn(-c2ccccc2CN2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000647541305 418020855 /nfs/dbraw/zinc/02/08/55/418020855.db2.gz YJINUDULBNSCCR-MRXNPFEDSA-N 1 3 312.421 0.747 20 0 DCADHO CCN1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000663454477 418021512 /nfs/dbraw/zinc/02/15/12/418021512.db2.gz NZMNODRRANLBMV-UHFFFAOYSA-N 1 3 313.490 0.653 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653108669 418027966 /nfs/dbraw/zinc/02/79/66/418027966.db2.gz DIEGBQMYFAHQME-INIZCTEOSA-N 1 3 322.453 0.522 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@@H](N)CC[NH+](C)C)c1 ZINC000653109080 418028132 /nfs/dbraw/zinc/02/81/32/418028132.db2.gz RPMNNCGUACWWJV-INIZCTEOSA-N 1 3 322.453 0.522 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)N(C)C)cc1 ZINC000653112060 418029393 /nfs/dbraw/zinc/02/93/93/418029393.db2.gz KQJOJIFBGUINNX-BQFCYCMXSA-N 1 3 317.433 0.950 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000647593428 418030705 /nfs/dbraw/zinc/03/07/05/418030705.db2.gz OZMFJUKVUHIVBY-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000659019455 418046416 /nfs/dbraw/zinc/04/64/16/418046416.db2.gz WFZXIPGYEVCMTQ-UHFFFAOYSA-N 1 3 321.425 0.629 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647078680 417982291 /nfs/dbraw/zinc/98/22/91/417982291.db2.gz QZDYRXBMVNWDPG-JKSUJKDBSA-N 1 3 317.433 0.770 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC000648177874 418114367 /nfs/dbraw/zinc/11/43/67/418114367.db2.gz YVKYFHDMWQNKJX-MRVWCRGKSA-N 1 3 306.414 0.241 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC000648177874 418114370 /nfs/dbraw/zinc/11/43/70/418114370.db2.gz YVKYFHDMWQNKJX-MRVWCRGKSA-N 1 3 306.414 0.241 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659542366 418115515 /nfs/dbraw/zinc/11/55/15/418115515.db2.gz LUXBEHRCTJRRMA-VHDGCEQUSA-N 1 3 310.442 0.679 20 0 DCADHO [NH3+]C/C=C\CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659544789 418116630 /nfs/dbraw/zinc/11/66/30/418116630.db2.gz XGVCPZZMOIIMKB-AIMAZDRCSA-N 1 3 318.421 0.567 20 0 DCADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659552478 418117456 /nfs/dbraw/zinc/11/74/56/418117456.db2.gz YWNSLAOWZXKBJH-HEHGZKQESA-N 1 3 320.437 0.788 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659552154 418117681 /nfs/dbraw/zinc/11/76/81/418117681.db2.gz DJRSRKDZEJSSIK-HIFRSBDPSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659552154 418117683 /nfs/dbraw/zinc/11/76/83/418117683.db2.gz DJRSRKDZEJSSIK-HIFRSBDPSA-N 1 3 310.442 0.681 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000647777305 418053925 /nfs/dbraw/zinc/05/39/25/418053925.db2.gz KAEHKBSUFIFDSK-OAHLLOKOSA-N 1 3 308.401 0.232 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000663775246 418056234 /nfs/dbraw/zinc/05/62/34/418056234.db2.gz FYHYWFJWXYOBPU-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[N@@H+]1C ZINC000653397501 418068774 /nfs/dbraw/zinc/06/87/74/418068774.db2.gz VNZUXFOOXSMFHV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[N@H+]1C ZINC000653397501 418068777 /nfs/dbraw/zinc/06/87/77/418068777.db2.gz VNZUXFOOXSMFHV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N(C)C1CC1 ZINC000663998548 418074098 /nfs/dbraw/zinc/07/40/98/418074098.db2.gz MWNLOGGOHFGEKV-BBRMVZONSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N(C)C1CC1 ZINC000663998548 418074100 /nfs/dbraw/zinc/07/41/00/418074100.db2.gz MWNLOGGOHFGEKV-BBRMVZONSA-N 1 3 324.469 0.710 20 0 DCADHO O=C(CCOC1CNC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351990 418085287 /nfs/dbraw/zinc/08/52/87/418085287.db2.gz VVVVRXFJDDBPLD-HOTGVXAUSA-N 1 3 321.396 0.766 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659364567 418086878 /nfs/dbraw/zinc/08/68/78/418086878.db2.gz QENKPZNJHAJQPI-KFWWJZLASA-N 1 3 305.378 0.663 20 0 DCADHO CC(C)[NH+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)C ZINC000659426083 418095249 /nfs/dbraw/zinc/09/52/49/418095249.db2.gz UMVAHVHHWHANQJ-UHFFFAOYSA-N 1 3 324.429 0.559 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659451897 418099111 /nfs/dbraw/zinc/09/91/11/418099111.db2.gz JBAKNMXGTDKABU-UHFFFAOYSA-N 1 3 324.469 0.927 20 0 DCADHO C[C@H]1CN(CCCNC(=O)N(C)CC(C)(C)[NH3+])CCCO1 ZINC000659486277 418104853 /nfs/dbraw/zinc/10/48/53/418104853.db2.gz CFOBJHOVEHCCBT-ZDUSSCGKSA-N 1 3 300.447 0.866 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](CN)C1 ZINC000659601365 418123290 /nfs/dbraw/zinc/12/32/90/418123290.db2.gz YTDQPAVSGXSCJM-GOEBONIOSA-N 1 3 323.485 0.678 20 0 DCADHO CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](CN)C1 ZINC000659601365 418123292 /nfs/dbraw/zinc/12/32/92/418123292.db2.gz YTDQPAVSGXSCJM-GOEBONIOSA-N 1 3 323.485 0.678 20 0 DCADHO C[C@@H]1NCCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H]1C ZINC000659608120 418126030 /nfs/dbraw/zinc/12/60/30/418126030.db2.gz KWEVPGJFSJRSHG-YDHLFZDLSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632010 418133654 /nfs/dbraw/zinc/13/36/54/418133654.db2.gz NRCGYVDNNFYGAE-PWSUYJOCSA-N 1 3 320.397 0.019 20 0 DCADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632010 418133657 /nfs/dbraw/zinc/13/36/57/418133657.db2.gz NRCGYVDNNFYGAE-PWSUYJOCSA-N 1 3 320.397 0.019 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)CC1 ZINC000659673431 418141759 /nfs/dbraw/zinc/14/17/59/418141759.db2.gz IZDYIXLHDREDDA-HIFRSBDPSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659680687 418144023 /nfs/dbraw/zinc/14/40/23/418144023.db2.gz JLYKJTKAXXAEID-GXZXJKLZSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000659684274 418146081 /nfs/dbraw/zinc/14/60/81/418146081.db2.gz FBTZOCVYRKIAAY-CQSZACIVSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](CN)C1 ZINC000659701795 418152685 /nfs/dbraw/zinc/15/26/85/418152685.db2.gz JLVZMSSXJCIMSL-QPSCCSFWSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](CN)C1 ZINC000659701795 418152692 /nfs/dbraw/zinc/15/26/92/418152692.db2.gz JLVZMSSXJCIMSL-QPSCCSFWSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[N@@H+]1C ZINC000648760662 418152759 /nfs/dbraw/zinc/15/27/59/418152759.db2.gz HVUOPKBOSYJQLJ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1C ZINC000648760662 418152761 /nfs/dbraw/zinc/15/27/61/418152761.db2.gz HVUOPKBOSYJQLJ-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CC2CC1(CN)C2)C[NH+]1CCCC1 ZINC000659704014 418153945 /nfs/dbraw/zinc/15/39/45/418153945.db2.gz HBZUVMRAAXIOOY-UHFFFAOYSA-N 1 3 322.453 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659702928 418154135 /nfs/dbraw/zinc/15/41/35/418154135.db2.gz UEVAWZREZYNQLC-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648782384 418156272 /nfs/dbraw/zinc/15/62/72/418156272.db2.gz FEHJDBNLQMRTBE-BZUAXINKSA-N 1 3 310.486 0.716 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648782384 418156276 /nfs/dbraw/zinc/15/62/76/418156276.db2.gz FEHJDBNLQMRTBE-BZUAXINKSA-N 1 3 310.486 0.716 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659717758 418160170 /nfs/dbraw/zinc/16/01/70/418160170.db2.gz KMOVUOUNQBHZTG-QWHCGFSZSA-N 1 3 310.442 0.363 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659724606 418164009 /nfs/dbraw/zinc/16/40/09/418164009.db2.gz SAPDLJKATMMYAI-LBPRGKRZSA-N 1 3 312.458 0.609 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659724099 418164147 /nfs/dbraw/zinc/16/41/47/418164147.db2.gz TXPAGBHWPRCEOU-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000659725274 418164469 /nfs/dbraw/zinc/16/44/69/418164469.db2.gz VXGHTFPVTKJZHZ-CQSZACIVSA-N 1 3 308.426 0.013 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCCC1 ZINC000659733775 418168620 /nfs/dbraw/zinc/16/86/20/418168620.db2.gz HQPQOPAGCYMKMI-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659740610 418172030 /nfs/dbraw/zinc/17/20/30/418172030.db2.gz IVTMOXPPFDFTTI-WMLDXEAASA-N 1 3 324.469 0.420 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC000659739455 418172057 /nfs/dbraw/zinc/17/20/57/418172057.db2.gz USRLQNIHNXRFNC-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)C1 ZINC000659739320 418172434 /nfs/dbraw/zinc/17/24/34/418172434.db2.gz QUFMJEFAHWJXQX-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)c2ccccc2O1 ZINC000649347055 418245911 /nfs/dbraw/zinc/24/59/11/418245911.db2.gz CUPXCLAQQVXZGO-KGLIPLIRSA-N 1 3 319.405 0.721 20 0 DCADHO Cc1cnc(OC2CCN(CCN3CC[NH2+]CC3)CC2)nc1 ZINC000655945950 418305214 /nfs/dbraw/zinc/30/52/14/418305214.db2.gz IHDIFUBTFKRIJK-UHFFFAOYSA-N 1 3 305.426 0.533 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCO1 ZINC000655973818 418310083 /nfs/dbraw/zinc/31/00/83/418310083.db2.gz IRPJABGJLQYKRK-KFWWJZLASA-N 1 3 310.442 0.763 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656025878 418320781 /nfs/dbraw/zinc/32/07/81/418320781.db2.gz VLEBUENTYMRHIA-APIJFGDWSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000660388800 418255644 /nfs/dbraw/zinc/25/56/44/418255644.db2.gz YPGUWLYDSGIZCX-IKGGRYGDSA-N 1 3 313.486 0.921 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CN2CCN1CCC2 ZINC000655353912 418256007 /nfs/dbraw/zinc/25/60/07/418256007.db2.gz XKHYDNNWPQYYOO-PMPSAXMXSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CN2CCN1CCC2 ZINC000655353912 418256010 /nfs/dbraw/zinc/25/60/10/418256010.db2.gz XKHYDNNWPQYYOO-PMPSAXMXSA-N 1 3 306.454 0.509 20 0 DCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000662398440 418407284 /nfs/dbraw/zinc/40/72/84/418407284.db2.gz SDXRTKGJPGMESZ-CQSZACIVSA-N 1 3 316.409 0.140 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662386600 418405198 /nfs/dbraw/zinc/40/51/98/418405198.db2.gz CYUDGKFJPBAZKM-ZDUSSCGKSA-N 1 3 320.441 0.807 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001649455158 1173139639 /nfs/dbraw/zinc/13/96/39/1173139639.db2.gz BRKMEVCDVXPLIF-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CCO)CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000187413500 261123827 /nfs/dbraw/zinc/12/38/27/261123827.db2.gz YEANCENROWNOBT-UHFFFAOYSA-N 1 3 314.474 0.722 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354673342 261255850 /nfs/dbraw/zinc/25/58/50/261255850.db2.gz SDNZUXRWJGUIHX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1 ZINC000354673342 261255852 /nfs/dbraw/zinc/25/58/52/261255852.db2.gz SDNZUXRWJGUIHX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)CCN1C1CC[NH+](C)CC1 ZINC000354946071 261291476 /nfs/dbraw/zinc/29/14/76/261291476.db2.gz AJBRLCZZIJTDOJ-GDBMZVCRSA-N 1 3 308.470 0.708 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000362765500 262070290 /nfs/dbraw/zinc/07/02/90/262070290.db2.gz KNQVHDLRUBHKCJ-NVXWUHKLSA-N 1 3 322.497 0.670 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000362765500 262070292 /nfs/dbraw/zinc/07/02/92/262070292.db2.gz KNQVHDLRUBHKCJ-NVXWUHKLSA-N 1 3 322.497 0.670 20 0 DCADHO C[C@H](C[NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390951271 262160441 /nfs/dbraw/zinc/16/04/41/262160441.db2.gz WSCFBFNNBWLTRR-ZBFHGGJFSA-N 1 3 305.422 0.989 20 0 DCADHO C[C@@H]1C[C@H](C)N(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000397400919 262164023 /nfs/dbraw/zinc/16/40/23/262164023.db2.gz NBGBNQHLKJYHIF-LXTVHRRPSA-N 1 3 317.499 0.963 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCO1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416836088 262240979 /nfs/dbraw/zinc/24/09/79/262240979.db2.gz GBHNMEFXQTXQNA-JKSUJKDBSA-N 1 3 318.421 0.549 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417093454 262245634 /nfs/dbraw/zinc/24/56/34/262245634.db2.gz OKUOUVOTIPXLII-KGLIPLIRSA-N 1 3 300.447 0.771 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417086947 262245666 /nfs/dbraw/zinc/24/56/66/262245666.db2.gz DPKTZFHTLVIHKG-RBSFLKMASA-N 1 3 312.458 0.642 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417089009 262245720 /nfs/dbraw/zinc/24/57/20/262245720.db2.gz ILNBBYUQXUOQSW-UONOGXRCSA-N 1 3 300.447 0.771 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417099186 262246313 /nfs/dbraw/zinc/24/63/13/262246313.db2.gz ZIQTZDXUMAFVMW-AWEZNQCLSA-N 1 3 300.447 0.725 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)NCCN(C)CCCOC)C1 ZINC000417753644 262260751 /nfs/dbraw/zinc/26/07/51/262260751.db2.gz OYTOGQDIZFOXBJ-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417987439 262267372 /nfs/dbraw/zinc/26/73/72/262267372.db2.gz HTUTUTYWJSKGBS-CJNGLKHVSA-N 1 3 320.437 0.790 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418015843 262268246 /nfs/dbraw/zinc/26/82/46/262268246.db2.gz FBOVFUDKDKLHOE-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418069499 262269188 /nfs/dbraw/zinc/26/91/88/262269188.db2.gz PLTOPGXUVPLOCE-AWEZNQCLSA-N 1 3 300.447 0.771 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418114144 262270933 /nfs/dbraw/zinc/27/09/33/262270933.db2.gz LDELPDQPVPMHGP-HUUCEWRRSA-N 1 3 312.458 0.786 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418437205 262277921 /nfs/dbraw/zinc/27/79/21/262277921.db2.gz CSEXLRMQVDQSCE-KBPBESRZSA-N 1 3 300.447 0.650 20 0 DCADHO COCC[NH2+]CCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000418506941 262279940 /nfs/dbraw/zinc/27/99/40/262279940.db2.gz JSZQVIFIPWKHHP-QLFBSQMISA-N 1 3 312.458 0.594 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418578512 262282964 /nfs/dbraw/zinc/28/29/64/262282964.db2.gz QADYSJBXYVWDRR-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418599752 262283917 /nfs/dbraw/zinc/28/39/17/262283917.db2.gz JVSDYDKVSJSYDE-RRFJBIMHSA-N 1 3 312.458 0.519 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000418692425 262286458 /nfs/dbraw/zinc/28/64/58/262286458.db2.gz IOAKGJMTKRNKIT-LSDHHAIUSA-N 1 3 314.474 0.896 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419019818 262305384 /nfs/dbraw/zinc/30/53/84/262305384.db2.gz DXELECXHYOLUDG-LXTVHRRPSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419076389 262306513 /nfs/dbraw/zinc/30/65/13/262306513.db2.gz HMSKUTXKVOETIZ-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419077375 262306878 /nfs/dbraw/zinc/30/68/78/262306878.db2.gz JBGLDUSQMRDBBM-ZIAGYGMSSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)CN)[NH+]1CCCCCC1 ZINC000419129452 262311319 /nfs/dbraw/zinc/31/13/19/262311319.db2.gz YEKLDVQBHJVDCG-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419126980 262311402 /nfs/dbraw/zinc/31/14/02/262311402.db2.gz YTTFHESJOSXROR-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000419405979 262330477 /nfs/dbraw/zinc/33/04/77/262330477.db2.gz IHPDOIAPOKXSIU-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000419410476 262331274 /nfs/dbraw/zinc/33/12/74/262331274.db2.gz OKMSQFDAWDKOQJ-RHSMWYFYSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C1 ZINC000419412691 262331861 /nfs/dbraw/zinc/33/18/61/262331861.db2.gz RHQMRLQGGRZRRO-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419487072 262334460 /nfs/dbraw/zinc/33/44/60/262334460.db2.gz YMUKBAUDEWARDB-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000419487072 262334462 /nfs/dbraw/zinc/33/44/62/262334462.db2.gz YMUKBAUDEWARDB-ZFWWWQNUSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N(C)C1CC1 ZINC000419592534 262338795 /nfs/dbraw/zinc/33/87/95/262338795.db2.gz SCTIQWQDSUTEHO-BXUZGUMPSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)N(C)C1CC1 ZINC000419588040 262339341 /nfs/dbraw/zinc/33/93/41/262339341.db2.gz NZSFNMDSMYDQFK-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000419595405 262339535 /nfs/dbraw/zinc/33/95/35/262339535.db2.gz WQFZFRZXHZQPHW-BFHYXJOUSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000419642593 262343724 /nfs/dbraw/zinc/34/37/24/262343724.db2.gz MJUOSRPDVNXVNX-UHFFFAOYSA-N 1 3 318.421 0.362 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000419695684 262346109 /nfs/dbraw/zinc/34/61/09/262346109.db2.gz LIGSABLNNWTFND-ZNMIVQPWSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419700534 262347491 /nfs/dbraw/zinc/34/74/91/262347491.db2.gz XOSOBLWKJOJIDD-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699190 262347575 /nfs/dbraw/zinc/34/75/75/262347575.db2.gz VQKXROFLXTVMOV-GZBFAFLISA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419699036 262347585 /nfs/dbraw/zinc/34/75/85/262347585.db2.gz QOOHTVHRGSQTHZ-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000419882077 262351900 /nfs/dbraw/zinc/35/19/00/262351900.db2.gz XDNWXATZUWSARM-UHFFFAOYSA-N 1 3 324.400 0.052 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419964467 262354803 /nfs/dbraw/zinc/35/48/03/262354803.db2.gz WFJDATJUUNOLIS-UONOGXRCSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000420099147 262360585 /nfs/dbraw/zinc/36/05/85/262360585.db2.gz JUBHBYYHNRHANV-PBHICJAKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000420140791 262363219 /nfs/dbraw/zinc/36/32/19/262363219.db2.gz YWZCHKISRRELFL-LXTVHRRPSA-N 1 3 324.469 0.480 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000420147503 262363739 /nfs/dbraw/zinc/36/37/39/262363739.db2.gz SGKVARMIDXJZIH-AWEZNQCLSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000420286893 262369365 /nfs/dbraw/zinc/36/93/65/262369365.db2.gz FXBXVZLTZWOLAA-ZBFHGGJFSA-N 1 3 304.438 0.686 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000420983153 262388535 /nfs/dbraw/zinc/38/85/35/262388535.db2.gz ZESHJVJGQGESOL-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO NC(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C(F)(F)F ZINC000424003905 262476904 /nfs/dbraw/zinc/47/69/04/262476904.db2.gz AEDMPLHZMHIZEC-AXFHLTTASA-N 1 3 305.275 0.968 20 0 DCADHO C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C(C)(C)C[NH+](C)C ZINC000358797798 271074799 /nfs/dbraw/zinc/07/47/99/271074799.db2.gz ARUSSZIGSDWCSU-GFCCVEGCSA-N 1 3 300.447 0.099 20 0 DCADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000363481634 271195474 /nfs/dbraw/zinc/19/54/74/271195474.db2.gz UDTXNFIZSGOIRJ-OWCLPIDISA-N 1 3 324.469 0.881 20 0 DCADHO C[NH2+]CCCNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418279966 271240029 /nfs/dbraw/zinc/24/00/29/271240029.db2.gz QMBJWYFNHHJPBS-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418824965 271256841 /nfs/dbraw/zinc/25/68/41/271256841.db2.gz AYCFJIVXCSXNHM-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000418843615 271258652 /nfs/dbraw/zinc/25/86/52/271258652.db2.gz SAGBZMVVKLPZRV-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000418846155 271259677 /nfs/dbraw/zinc/25/96/77/271259677.db2.gz XEGCOEKOQVLHTK-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419032803 271269342 /nfs/dbraw/zinc/26/93/42/271269342.db2.gz XGOFAEDLZGLQLX-FRRDWIJNSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419032874 271269676 /nfs/dbraw/zinc/26/96/76/271269676.db2.gz XMWXMFXBCINJHV-LXTVHRRPSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000419401105 271288669 /nfs/dbraw/zinc/28/86/69/271288669.db2.gz ANZZTCLAJJQEAI-MGPQQGTHSA-N 1 3 310.442 0.078 20 0 DCADHO CCCN(C(=O)C(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000419403901 271288974 /nfs/dbraw/zinc/28/89/74/271288974.db2.gz FPMKAEFSBBCZTK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000419576258 271309092 /nfs/dbraw/zinc/30/90/92/271309092.db2.gz BQPRMUKGEQODSU-GXTWGEPZSA-N 1 3 312.458 0.417 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419939600 271347071 /nfs/dbraw/zinc/34/70/71/271347071.db2.gz YPUZDSCJXHFDAB-HNNXBMFYSA-N 1 3 320.437 0.651 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)CCN(C)C)C(C)C ZINC000459893922 272016698 /nfs/dbraw/zinc/01/66/98/272016698.db2.gz HFXACWVIDWUNEO-UHFFFAOYSA-N 1 3 314.474 0.584 20 0 DCADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000459913756 272018994 /nfs/dbraw/zinc/01/89/94/272018994.db2.gz XCPIIIGTGXWVMM-LSDHHAIUSA-N 1 3 324.469 0.195 20 0 DCADHO CN1CCC2(CCCN2C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471658576 272028618 /nfs/dbraw/zinc/02/86/18/272028618.db2.gz MSLCCGRSUNTFIP-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000514784311 272407317 /nfs/dbraw/zinc/40/73/17/272407317.db2.gz ALWIBSLCDMFBNX-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO CC1(C)CNCC[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000333684879 276138222 /nfs/dbraw/zinc/13/82/22/276138222.db2.gz PDCCBNXAQAUVKD-GFCCVEGCSA-N 1 3 308.426 0.829 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369175113 276384075 /nfs/dbraw/zinc/38/40/75/276384075.db2.gz USBNQNXMRKEPQF-SJLPKXTDSA-N 1 3 322.497 0.910 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccn(C)n1 ZINC000545515817 288001523 /nfs/dbraw/zinc/00/15/23/288001523.db2.gz MYVQYPNYLUVKCE-UHFFFAOYSA-N 1 3 310.446 0.097 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419803105 288077170 /nfs/dbraw/zinc/07/71/70/288077170.db2.gz MPPVNQTXUMIMJW-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@H+](C)CCOC ZINC000173987478 279333221 /nfs/dbraw/zinc/33/32/21/279333221.db2.gz QOJOWOULUJDTGX-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)NCCC[N@@H+](C)CCOC ZINC000173987478 279333224 /nfs/dbraw/zinc/33/32/24/279333224.db2.gz QOJOWOULUJDTGX-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCOC(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000548368437 288136234 /nfs/dbraw/zinc/13/62/34/288136234.db2.gz BYLOFYDOOHJMGX-UHFFFAOYSA-N 1 3 302.463 0.936 20 0 DCADHO C[C@H]1C[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1C ZINC000548485267 288147753 /nfs/dbraw/zinc/14/77/53/288147753.db2.gz HZHOYHJKCDVZON-QWHCGFSZSA-N 1 3 308.426 0.923 20 0 DCADHO C[C@H]1C[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)CC[N@H+]1C ZINC000548485267 288147755 /nfs/dbraw/zinc/14/77/55/288147755.db2.gz HZHOYHJKCDVZON-QWHCGFSZSA-N 1 3 308.426 0.923 20 0 DCADHO CCN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000548704182 288168883 /nfs/dbraw/zinc/16/88/83/288168883.db2.gz GAMGUYVFKDUPEU-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCC[N@H+]1C ZINC000548704182 288168886 /nfs/dbraw/zinc/16/88/86/288168886.db2.gz GAMGUYVFKDUPEU-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CC1(CNC(=O)N2CCOC3(CNC3)C2)CCCC1 ZINC000333810442 289089322 /nfs/dbraw/zinc/08/93/22/289089322.db2.gz PNKWBTCVOAPDLO-UHFFFAOYSA-N 1 3 310.442 0.492 20 0 DCADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000331698389 289310351 /nfs/dbraw/zinc/31/03/51/289310351.db2.gz ZSLMQPAYAADJAQ-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419414489 289560953 /nfs/dbraw/zinc/56/09/53/289560953.db2.gz DZFDURGLYPVXEH-QLFBSQMISA-N 1 3 324.469 0.611 20 0 DCADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262550890 295632869 /nfs/dbraw/zinc/63/28/69/295632869.db2.gz TUBXXNCKICFVER-OLZOCXBDSA-N 1 3 313.467 0.187 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000582607190 337113066 /nfs/dbraw/zinc/11/30/66/337113066.db2.gz YRCVEDHBRZCZFN-INIZCTEOSA-N 1 3 308.470 0.615 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000583320378 337315278 /nfs/dbraw/zinc/31/52/78/337315278.db2.gz RGMWZCYKHDCGLU-INIZCTEOSA-N 1 3 305.422 0.958 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000583320378 337315279 /nfs/dbraw/zinc/31/52/79/337315279.db2.gz RGMWZCYKHDCGLU-INIZCTEOSA-N 1 3 305.422 0.958 20 0 DCADHO COC[C@@]1(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[NH2+]C1 ZINC000580432222 337674127 /nfs/dbraw/zinc/67/41/27/337674127.db2.gz NCSBVBNSUXUZHJ-YSVLISHTSA-N 1 3 321.396 0.705 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001446433463 1159412910 /nfs/dbraw/zinc/41/29/10/1159412910.db2.gz KPXNPXKTYHPOPO-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001447514557 1159654534 /nfs/dbraw/zinc/65/45/34/1159654534.db2.gz ITOIDJJFGFCGGO-MJBXVCDLSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CC(=O)N(C)C)CC1)N(C)C ZINC001447563628 1159659756 /nfs/dbraw/zinc/65/97/56/1159659756.db2.gz HXOBAQCIJPBSLY-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCNC1=O ZINC001566574732 1160073093 /nfs/dbraw/zinc/07/30/93/1160073093.db2.gz GWNKYUQBPJNRIK-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCNC(=O)C1CC1 ZINC001567021581 1160210806 /nfs/dbraw/zinc/21/08/06/1160210806.db2.gz DHXKTLNHSGKNQJ-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000364852701 519364615 /nfs/dbraw/zinc/36/46/15/519364615.db2.gz WIHGJLJGXLEOPK-CVEARBPZSA-N 1 3 310.486 0.987 20 0 DCADHO COc1cc(CNC(=O)C2(N)CC2)ccc1OCC[NH+](C)C ZINC000237334984 522408564 /nfs/dbraw/zinc/40/85/64/522408564.db2.gz LWJSQIBOXLFGBR-UHFFFAOYSA-N 1 3 307.394 0.743 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N(C)C ZINC000366299575 523757583 /nfs/dbraw/zinc/75/75/83/523757583.db2.gz NUZQYMTYHDUQJU-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237400148 524821646 /nfs/dbraw/zinc/82/16/46/524821646.db2.gz GTLSZCOMXSQLSX-HNNXBMFYSA-N 1 3 304.438 0.658 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000333395351 546080312 /nfs/dbraw/zinc/08/03/12/546080312.db2.gz DFKYNCWAIJFLAK-ZIAGYGMSSA-N 1 3 320.441 1.193 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000333395351 546080314 /nfs/dbraw/zinc/08/03/14/546080314.db2.gz DFKYNCWAIJFLAK-ZIAGYGMSSA-N 1 3 320.441 1.193 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333655276 546087289 /nfs/dbraw/zinc/08/72/89/546087289.db2.gz KOCMCPYHHIKADG-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000333701034 546088622 /nfs/dbraw/zinc/08/86/22/546088622.db2.gz QVCKCCBKXAADHD-JYJNAYRXSA-N 1 3 324.469 0.881 20 0 DCADHO Cn1cc(N2CCC[C@H](N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)C2=O)cn1 ZINC000342093512 546118276 /nfs/dbraw/zinc/11/82/76/546118276.db2.gz WHIAWYARGRLWTN-HNKHHVNMSA-N 1 3 317.437 0.975 20 0 DCADHO CCC[C@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1CCOC ZINC000662278783 546375076 /nfs/dbraw/zinc/37/50/76/546375076.db2.gz APADVZUCGSBHDF-HOTGVXAUSA-N 1 3 311.470 0.940 20 0 DCADHO O=S(=O)(CCC[NH2+]C1(CO)CCNCC1)c1ccccc1 ZINC000662283323 546375708 /nfs/dbraw/zinc/37/57/08/546375708.db2.gz HQVSAFXZDKUWSF-UHFFFAOYSA-N 1 3 312.435 0.555 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C1CCC1 ZINC000665764086 546398743 /nfs/dbraw/zinc/39/87/43/546398743.db2.gz UGPGLTBFMPCBNN-DZGCQCFKSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C1CCC1 ZINC000665764086 546398747 /nfs/dbraw/zinc/39/87/47/546398747.db2.gz UGPGLTBFMPCBNN-DZGCQCFKSA-N 1 3 314.474 0.719 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000666922812 546529259 /nfs/dbraw/zinc/52/92/59/546529259.db2.gz XXBYGSPYLOYWIQ-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000666922812 546529261 /nfs/dbraw/zinc/52/92/61/546529261.db2.gz XXBYGSPYLOYWIQ-LSDHHAIUSA-N 1 3 312.458 0.617 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)CC1 ZINC000667641947 546631743 /nfs/dbraw/zinc/63/17/43/546631743.db2.gz JLMRIFULCFOGDV-ZSHCYNCHSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000668361407 546741207 /nfs/dbraw/zinc/74/12/07/546741207.db2.gz AFJSPLKDEIXJNP-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668894543 546875048 /nfs/dbraw/zinc/87/50/48/546875048.db2.gz YUCXDUPEGVDVCD-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000668894543 546875049 /nfs/dbraw/zinc/87/50/49/546875049.db2.gz YUCXDUPEGVDVCD-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCC1 ZINC000669026510 546905926 /nfs/dbraw/zinc/90/59/26/546905926.db2.gz IGRUIOCAZKPMMP-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@H](CNC(=O)NCC[NH2+]C1CC1)N1CCN(C)CC1 ZINC000669042705 546910126 /nfs/dbraw/zinc/91/01/26/546910126.db2.gz VKYBRWFARCIURG-HNNXBMFYSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)CN1CCN(C)CC1 ZINC000669499775 546980350 /nfs/dbraw/zinc/98/03/50/546980350.db2.gz NVCVARNQNXSKLV-LSDHHAIUSA-N 1 3 311.474 0.311 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000669508616 546982725 /nfs/dbraw/zinc/98/27/25/546982725.db2.gz CXPYZZMADVVCHH-YPMHNXCESA-N 1 3 309.435 0.906 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCCO1 ZINC000669570947 546992878 /nfs/dbraw/zinc/99/28/78/546992878.db2.gz YAJCONHWRLWMKD-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310138 547349870 /nfs/dbraw/zinc/34/98/70/547349870.db2.gz IISAMIJKAYUUMV-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310138 547349876 /nfs/dbraw/zinc/34/98/76/547349876.db2.gz IISAMIJKAYUUMV-HNNXBMFYSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000672516554 547368224 /nfs/dbraw/zinc/36/82/24/547368224.db2.gz HNOJJNUUEDVKSK-WMLDXEAASA-N 1 3 305.422 0.690 20 0 DCADHO C(CN1CCOCC1)N1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000677242341 547857887 /nfs/dbraw/zinc/85/78/87/547857887.db2.gz XWNBYGHPCPCOHK-OKZBNKHCSA-N 1 3 322.497 0.609 20 0 DCADHO C(CN1CCOCC1)N1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000677242341 547857892 /nfs/dbraw/zinc/85/78/92/547857892.db2.gz XWNBYGHPCPCOHK-OKZBNKHCSA-N 1 3 322.497 0.609 20 0 DCADHO COCc1cncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000680930099 548184703 /nfs/dbraw/zinc/18/47/03/548184703.db2.gz AFTYNRMKSBDXOM-UHFFFAOYSA-N 1 3 308.426 0.793 20 0 DCADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000683822812 548521543 /nfs/dbraw/zinc/52/15/43/548521543.db2.gz UKRUXABBCYQYSV-CABCVRRESA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000683822812 548521545 /nfs/dbraw/zinc/52/15/45/548521545.db2.gz UKRUXABBCYQYSV-CABCVRRESA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H](O)CN(C)C1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684201114 548582444 /nfs/dbraw/zinc/58/24/44/548582444.db2.gz VAUSBYQHZNNOSN-KBPBESRZSA-N 1 3 307.442 0.702 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3cnc[nH]3)C2)CC1 ZINC000684440298 548606058 /nfs/dbraw/zinc/60/60/58/548606058.db2.gz HYOHOEMUOOEXEN-CQSZACIVSA-N 1 3 305.426 0.627 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)CCc3cnc[nH]3)C2)CC1 ZINC000684440298 548606064 /nfs/dbraw/zinc/60/60/64/548606064.db2.gz HYOHOEMUOOEXEN-CQSZACIVSA-N 1 3 305.426 0.627 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001668213537 1174769753 /nfs/dbraw/zinc/76/97/53/1174769753.db2.gz BMDWDZYEXNIYSP-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736761726 599486955 /nfs/dbraw/zinc/48/69/55/599486955.db2.gz LPHLMMPCWHCFGR-UHFFFAOYSA-N 1 3 314.397 0.946 20 0 DCADHO C[NH+](C)CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736761726 599486957 /nfs/dbraw/zinc/48/69/57/599486957.db2.gz LPHLMMPCWHCFGR-UHFFFAOYSA-N 1 3 314.397 0.946 20 0 DCADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1)N(C)C ZINC000982306105 661348620 /nfs/dbraw/zinc/34/86/20/661348620.db2.gz IJUGGCMQJWSSEJ-OIISXLGYSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CCCO)C[C@]2(C)C1)N(C)C ZINC000982306105 661348622 /nfs/dbraw/zinc/34/86/22/661348622.db2.gz IJUGGCMQJWSSEJ-OIISXLGYSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CCF)C2)C1 ZINC001027546928 660410969 /nfs/dbraw/zinc/41/09/69/660410969.db2.gz OULOXAHRMDMNGI-CABCVRRESA-N 1 3 315.433 0.988 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CCF)C2)C1 ZINC001027546928 660410970 /nfs/dbraw/zinc/41/09/70/660410970.db2.gz OULOXAHRMDMNGI-CABCVRRESA-N 1 3 315.433 0.988 20 0 DCADHO CC(C)(C)NS(=O)(=O)C1(CN[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000925764567 660818733 /nfs/dbraw/zinc/81/87/33/660818733.db2.gz HCOROSRHSLPFGX-NWDGAFQWSA-N 1 3 303.472 0.954 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3CN(CC(N)=O)C[C@H]3C2)CC1 ZINC000980178189 660884115 /nfs/dbraw/zinc/88/41/15/660884115.db2.gz ONSOLKUHJIHKRX-RRFJBIMHSA-N 1 3 322.453 0.030 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980390519 660926156 /nfs/dbraw/zinc/92/61/56/660926156.db2.gz IOYBBYSAKFEQLM-LSDHHAIUSA-N 1 3 305.426 0.368 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980390519 660926158 /nfs/dbraw/zinc/92/61/58/660926158.db2.gz IOYBBYSAKFEQLM-LSDHHAIUSA-N 1 3 305.426 0.368 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980390517 660926196 /nfs/dbraw/zinc/92/61/96/660926196.db2.gz IOYBBYSAKFEQLM-GJZGRUSLSA-N 1 3 305.426 0.368 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980390517 660926198 /nfs/dbraw/zinc/92/61/98/660926198.db2.gz IOYBBYSAKFEQLM-GJZGRUSLSA-N 1 3 305.426 0.368 20 0 DCADHO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](N(C)CCF)C1 ZINC000980413793 660936237 /nfs/dbraw/zinc/93/62/37/660936237.db2.gz YCIBXBQFRJHACM-ZIAGYGMSSA-N 1 3 301.406 0.457 20 0 DCADHO C[C@H]1C[C@@H](C[NH2+]Cc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000980799877 661015484 /nfs/dbraw/zinc/01/54/84/661015484.db2.gz NCUANQLTPGFQHF-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](O)CN1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028194961 661270207 /nfs/dbraw/zinc/27/02/07/661270207.db2.gz HJXNZJLKZIAXAO-UKRRQHHQSA-N 1 3 323.441 0.020 20 0 DCADHO O=C(NC[C@H]1CCN1CC[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001038926936 661270777 /nfs/dbraw/zinc/27/07/77/661270777.db2.gz SOXRNFKXJRIZKC-HUUCEWRRSA-N 1 3 307.438 0.699 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084064 657484375 /nfs/dbraw/zinc/48/43/75/657484375.db2.gz HTQHICCQZRERGN-KFWWJZLASA-N 1 3 318.421 0.779 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084064 657484379 /nfs/dbraw/zinc/48/43/79/657484379.db2.gz HTQHICCQZRERGN-KFWWJZLASA-N 1 3 318.421 0.779 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891579121 657495560 /nfs/dbraw/zinc/49/55/60/657495560.db2.gz CXDRZIKKKDNNJK-WBVHZDCISA-N 1 3 323.485 0.598 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891603318 657516570 /nfs/dbraw/zinc/51/65/70/657516570.db2.gz OAVPSTSQFRIACF-RBSFLKMASA-N 1 3 311.474 0.439 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021273982 657539873 /nfs/dbraw/zinc/53/98/73/657539873.db2.gz HHBBCKUVLDRURF-WTXIUTQJSA-N 1 3 309.454 0.965 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021273982 657539876 /nfs/dbraw/zinc/53/98/76/657539876.db2.gz HHBBCKUVLDRURF-WTXIUTQJSA-N 1 3 309.454 0.965 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccnn2C)C1)N(C)C ZINC000971777601 657666183 /nfs/dbraw/zinc/66/61/83/657666183.db2.gz GQVALLYDQIBYDM-JKSUJKDBSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccnn2C)C1)N(C)C ZINC000971777601 657666185 /nfs/dbraw/zinc/66/61/85/657666185.db2.gz GQVALLYDQIBYDM-JKSUJKDBSA-N 1 3 321.469 0.836 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001020455931 657688686 /nfs/dbraw/zinc/68/86/86/657688686.db2.gz PGZBFORUWDVDBG-ZQDZILKHSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C(=O)[C@H]1CCCN1C ZINC001020455931 657688690 /nfs/dbraw/zinc/68/86/90/657688690.db2.gz PGZBFORUWDVDBG-ZQDZILKHSA-N 1 3 322.453 0.138 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970712826 657813665 /nfs/dbraw/zinc/81/36/65/657813665.db2.gz TZNJTWIDHCDEOX-DZGCQCFKSA-N 1 3 305.426 0.371 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970712826 657813671 /nfs/dbraw/zinc/81/36/71/657813671.db2.gz TZNJTWIDHCDEOX-DZGCQCFKSA-N 1 3 305.426 0.371 20 0 DCADHO C[N@H+](CC1CC1)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971969153 658105423 /nfs/dbraw/zinc/10/54/23/658105423.db2.gz KVAYBIREZCIGCR-BNQMIIOLSA-N 1 3 319.449 0.792 20 0 DCADHO C[N@@H+](CC1CC1)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971969153 658105428 /nfs/dbraw/zinc/10/54/28/658105428.db2.gz KVAYBIREZCIGCR-BNQMIIOLSA-N 1 3 319.449 0.792 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001020588984 658161236 /nfs/dbraw/zinc/16/12/36/658161236.db2.gz TVXWADBSXTWRQX-MGPQQGTHSA-N 1 3 305.426 0.499 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001020586609 658162235 /nfs/dbraw/zinc/16/22/35/658162235.db2.gz SWVWAFMTKMKOTB-IHRRRGAJSA-N 1 3 305.426 0.641 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020593036 658177774 /nfs/dbraw/zinc/17/77/74/658177774.db2.gz VKPVKGRLFKQRJJ-JUDXGUMMSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020593036 658177777 /nfs/dbraw/zinc/17/77/77/658177777.db2.gz VKPVKGRLFKQRJJ-JUDXGUMMSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022711862 658353663 /nfs/dbraw/zinc/35/36/63/658353663.db2.gz FFYGGSIPZIZAQC-WQVCFCJDSA-N 1 3 319.453 0.950 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972231394 658466122 /nfs/dbraw/zinc/46/61/22/658466122.db2.gz FDAAVHGJMOUUPY-MRXNPFEDSA-N 1 3 319.453 0.758 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024176933 658506703 /nfs/dbraw/zinc/50/67/03/658506703.db2.gz HWFRJWGSCPBFJN-CYBMUJFWSA-N 1 3 316.409 0.714 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)C1 ZINC000972336533 658582219 /nfs/dbraw/zinc/58/22/19/658582219.db2.gz YAWFBGSRUSIDFQ-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)CCn3cncn3)C2)C1 ZINC000972336533 658582226 /nfs/dbraw/zinc/58/22/26/658582226.db2.gz YAWFBGSRUSIDFQ-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO COc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001021895769 658627222 /nfs/dbraw/zinc/62/72/22/658627222.db2.gz QZRXKADPTRUOKT-ZNMIVQPWSA-N 1 3 318.421 0.921 20 0 DCADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047861 658726334 /nfs/dbraw/zinc/72/63/34/658726334.db2.gz PWMHEACJOKRJDZ-MGPQQGTHSA-N 1 3 306.410 0.980 20 0 DCADHO Cc1noc(C)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047861 658726339 /nfs/dbraw/zinc/72/63/39/658726339.db2.gz PWMHEACJOKRJDZ-MGPQQGTHSA-N 1 3 306.410 0.980 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)CC[N@@H+]1C ZINC001022109004 658869729 /nfs/dbraw/zinc/86/97/29/658869729.db2.gz AHMVDQABFXZROK-MYZSUADSSA-N 1 3 320.441 0.282 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)CC[N@H+]1C ZINC001022109004 658869735 /nfs/dbraw/zinc/86/97/35/658869735.db2.gz AHMVDQABFXZROK-MYZSUADSSA-N 1 3 320.441 0.282 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891491664 658890352 /nfs/dbraw/zinc/89/03/52/658890352.db2.gz AGAPKJGIOWGFKQ-INIZCTEOSA-N 1 3 320.437 0.578 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999347684 665633680 /nfs/dbraw/zinc/63/36/80/665633680.db2.gz JZWOKKFZLGQLSB-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999347684 665633682 /nfs/dbraw/zinc/63/36/82/665633682.db2.gz JZWOKKFZLGQLSB-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC000999363823 665636825 /nfs/dbraw/zinc/63/68/25/665636825.db2.gz KHZLRVAGNDENMA-HIFRSBDPSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC000999363925 665636866 /nfs/dbraw/zinc/63/68/66/665636866.db2.gz KYJOTQFJYJEMBU-JSGCOSHPSA-N 1 3 310.442 0.315 20 0 DCADHO Cc1ncc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001027215281 659085749 /nfs/dbraw/zinc/08/57/49/659085749.db2.gz FXPQFIHYBLFQSB-ZIAGYGMSSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001027215281 659085754 /nfs/dbraw/zinc/08/57/54/659085754.db2.gz FXPQFIHYBLFQSB-ZIAGYGMSSA-N 1 3 306.410 0.873 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999407263 665642071 /nfs/dbraw/zinc/64/20/71/665642071.db2.gz SYYANOHPCYLTCJ-JEYLPNPQSA-N 1 3 319.453 0.983 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000893223846 659113348 /nfs/dbraw/zinc/11/33/48/659113348.db2.gz NWSHFPYPBNBNLH-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000893223846 659113350 /nfs/dbraw/zinc/11/33/50/659113350.db2.gz NWSHFPYPBNBNLH-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC000999492648 665653442 /nfs/dbraw/zinc/65/34/42/665653442.db2.gz BUDNBCAWHHGVCY-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999571881 665658463 /nfs/dbraw/zinc/65/84/63/665658463.db2.gz BBXOOIFVYJWOAY-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999571881 665658466 /nfs/dbraw/zinc/65/84/66/665658466.db2.gz BBXOOIFVYJWOAY-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000892817151 659467436 /nfs/dbraw/zinc/46/74/36/659467436.db2.gz AHRFMKOUQKWWNL-AESZEHBQSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000892817151 659467438 /nfs/dbraw/zinc/46/74/38/659467438.db2.gz AHRFMKOUQKWWNL-AESZEHBQSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000892817154 659467911 /nfs/dbraw/zinc/46/79/11/659467911.db2.gz AHRFMKOUQKWWNL-DLTWYDFYSA-N 1 3 322.453 0.443 20 0 DCADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@]2(C)C1 ZINC000892817154 659467914 /nfs/dbraw/zinc/46/79/14/659467914.db2.gz AHRFMKOUQKWWNL-DLTWYDFYSA-N 1 3 322.453 0.443 20 0 DCADHO CCn1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001026734971 659487786 /nfs/dbraw/zinc/48/77/86/659487786.db2.gz XDFOHXGHJAFVCZ-GDBMZVCRSA-N 1 3 319.453 0.935 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001026734747 659492727 /nfs/dbraw/zinc/49/27/27/659492727.db2.gz SOYWJTMTNPJOJX-HOTGVXAUSA-N 1 3 309.454 0.945 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999766267 665681490 /nfs/dbraw/zinc/68/14/90/665681490.db2.gz RYZKMGJBOKSBOM-WJEHIRDRSA-N 1 3 311.401 0.400 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000892943384 659537745 /nfs/dbraw/zinc/53/77/45/659537745.db2.gz FPZITHJMTVDCMS-HNNXBMFYSA-N 1 3 324.469 0.977 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025778866 659554302 /nfs/dbraw/zinc/55/43/02/659554302.db2.gz OKCIECFCTGROCE-FIDHJVLJSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC001025778866 659554305 /nfs/dbraw/zinc/55/43/05/659554305.db2.gz OKCIECFCTGROCE-FIDHJVLJSA-N 1 3 321.465 0.942 20 0 DCADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001019775107 659613142 /nfs/dbraw/zinc/61/31/42/659613142.db2.gz XKVRJCFSZGBEKS-INIZCTEOSA-N 1 3 319.453 0.732 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC001026887482 659627774 /nfs/dbraw/zinc/62/77/74/659627774.db2.gz PTKYOALIBCRUHZ-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001027063080 659758940 /nfs/dbraw/zinc/75/89/40/659758940.db2.gz GXRAXWJLGVWTFZ-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001027063080 659758943 /nfs/dbraw/zinc/75/89/43/659758943.db2.gz GXRAXWJLGVWTFZ-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cncn3C)C2)C1 ZINC001027064788 659762190 /nfs/dbraw/zinc/76/21/90/659762190.db2.gz KNCGEMANJBOZQK-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001000184308 665766664 /nfs/dbraw/zinc/76/66/64/665766664.db2.gz MVHAJUYYOKDQMU-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCC1 ZINC000894332151 661897546 /nfs/dbraw/zinc/89/75/46/661897546.db2.gz NODWZMOSVJWNQY-HUUCEWRRSA-N 1 3 324.469 0.711 20 0 DCADHO CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)[C@H]1CCCN(C)C1 ZINC000896748233 662310247 /nfs/dbraw/zinc/31/02/47/662310247.db2.gz JJJVOVCDGDNYOJ-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[C@H]1CCCN(C)C1 ZINC000896748233 662310249 /nfs/dbraw/zinc/31/02/49/662310249.db2.gz JJJVOVCDGDNYOJ-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000896748233 662310250 /nfs/dbraw/zinc/31/02/50/662310250.db2.gz JJJVOVCDGDNYOJ-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000896748233 662310251 /nfs/dbraw/zinc/31/02/51/662310251.db2.gz JJJVOVCDGDNYOJ-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000984800511 662316011 /nfs/dbraw/zinc/31/60/11/662316011.db2.gz PVOYARYBHVDRKP-KKUMJFAQSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985469861 662463480 /nfs/dbraw/zinc/46/34/80/662463480.db2.gz IMZSPUPIGMKDEJ-AWEZNQCLSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985469861 662463481 /nfs/dbraw/zinc/46/34/81/662463481.db2.gz IMZSPUPIGMKDEJ-AWEZNQCLSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000985655136 662496745 /nfs/dbraw/zinc/49/67/45/662496745.db2.gz SCEIPWGYXCLPGZ-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000985655136 662496746 /nfs/dbraw/zinc/49/67/46/662496746.db2.gz SCEIPWGYXCLPGZ-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985752349 662508659 /nfs/dbraw/zinc/50/86/59/662508659.db2.gz SAIVINFQMMRXFR-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985752349 662508661 /nfs/dbraw/zinc/50/86/61/662508661.db2.gz SAIVINFQMMRXFR-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986831792 662623334 /nfs/dbraw/zinc/62/33/34/662623334.db2.gz VXNJIKCNGKGRCE-BBRMVZONSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987060696 662639802 /nfs/dbraw/zinc/63/98/02/662639802.db2.gz WAKOPBOWWUGBMR-TZMCWYRMSA-N 1 3 319.409 0.154 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC000987522075 662685649 /nfs/dbraw/zinc/68/56/49/662685649.db2.gz FDCSMBSZLOUSRX-GDBMZVCRSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)CN(C)C1CCC1 ZINC000988956223 662873367 /nfs/dbraw/zinc/87/33/67/662873367.db2.gz PEQLXTKIGLABRH-UONOGXRCSA-N 1 3 320.441 0.341 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729620382 662905888 /nfs/dbraw/zinc/90/58/88/662905888.db2.gz QVXPAZFNEXIBAC-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729620382 662905890 /nfs/dbraw/zinc/90/58/90/662905890.db2.gz QVXPAZFNEXIBAC-OAGGEKHMSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000989797730 662980344 /nfs/dbraw/zinc/98/03/44/662980344.db2.gz ZWOWRFCJUDEUOP-GDBMZVCRSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989826119 662982542 /nfs/dbraw/zinc/98/25/42/662982542.db2.gz MSICGANWGWNYKP-CJNGLKHVSA-N 1 3 305.422 0.933 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000990243336 663022683 /nfs/dbraw/zinc/02/26/83/663022683.db2.gz DOLGRNGDELDCOX-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC000990243337 663022730 /nfs/dbraw/zinc/02/27/30/663022730.db2.gz DOLGRNGDELDCOX-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000990277335 663028021 /nfs/dbraw/zinc/02/80/21/663028021.db2.gz MNUKJHOAQOXARG-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000990277334 663028076 /nfs/dbraw/zinc/02/80/76/663028076.db2.gz MNUKJHOAQOXARG-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO C[NH+](C)CCCNC(=S)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000899664958 663161572 /nfs/dbraw/zinc/16/15/72/663161572.db2.gz VUEAOBYRNDYOBO-UONOGXRCSA-N 1 3 314.499 0.344 20 0 DCADHO CN(C)C(=O)CN1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221210 665948697 /nfs/dbraw/zinc/94/86/97/665948697.db2.gz NMQXCVCIFYSAQE-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000903469933 663456117 /nfs/dbraw/zinc/45/61/17/663456117.db2.gz DIDVQOBWLWMEMY-OLZOCXBDSA-N 1 3 301.456 0.532 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000929796 665965246 /nfs/dbraw/zinc/96/52/46/665965246.db2.gz SLLFMKVFIYIXOG-CHWSQXEVSA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000929796 665965247 /nfs/dbraw/zinc/96/52/47/665965247.db2.gz SLLFMKVFIYIXOG-CHWSQXEVSA-N 1 3 306.414 0.145 20 0 DCADHO CN(C)CCCS(=O)(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903543907 663462132 /nfs/dbraw/zinc/46/21/32/663462132.db2.gz BVWYRAADWFXEKE-CYBMUJFWSA-N 1 3 319.471 0.016 20 0 DCADHO O[C@@H]1CCC[C@H]1N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903735733 663478013 /nfs/dbraw/zinc/47/80/13/663478013.db2.gz DBLUAQQYWTZVDZ-GVDBMIGSSA-N 1 3 323.481 0.676 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cnn1C ZINC000903933052 663496586 /nfs/dbraw/zinc/49/65/86/663496586.db2.gz KJLOVAHUPGIFOX-IIAWOOMASA-N 1 3 319.453 0.446 20 0 DCADHO COC(=O)[C@@H]1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)[C@@H]1C ZINC000903916958 663497459 /nfs/dbraw/zinc/49/74/59/663497459.db2.gz WTTGRRVIVHWCOE-VNHYZAJKSA-N 1 3 308.426 0.729 20 0 DCADHO C[C@]1(CN2CCC[C@H](C(=O)N3CCOCC3)C2)CCC[NH2+]C1 ZINC000904305599 663507687 /nfs/dbraw/zinc/50/76/87/663507687.db2.gz QEZIKSDFBRYKBL-RDJZCZTQSA-N 1 3 309.454 0.947 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000941305707 665971208 /nfs/dbraw/zinc/97/12/08/665971208.db2.gz SXFHBHMNCAJRCG-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905153465 663533838 /nfs/dbraw/zinc/53/38/38/663533838.db2.gz FKZWJHXZDWLLNA-IRXDYDNUSA-N 1 3 312.454 0.885 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906669693 663629294 /nfs/dbraw/zinc/62/92/94/663629294.db2.gz JJHQJSWGLHMZFV-NSHDSACASA-N 1 3 306.410 0.885 20 0 DCADHO C[C@H](NC(=O)c1ccnn1CCN(C)C)C1=CC[N@H+](C)CC1 ZINC000907286714 663683937 /nfs/dbraw/zinc/68/39/37/663683937.db2.gz YQKBOAWIQAWADI-ZDUSSCGKSA-N 1 3 305.426 0.825 20 0 DCADHO C[C@H](NC(=O)c1ccnn1CCN(C)C)C1=CC[N@@H+](C)CC1 ZINC000907286714 663683939 /nfs/dbraw/zinc/68/39/39/663683939.db2.gz YQKBOAWIQAWADI-ZDUSSCGKSA-N 1 3 305.426 0.825 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908527069 663759306 /nfs/dbraw/zinc/75/93/06/663759306.db2.gz PLVFDEOCEOYBMK-OWCLPIDISA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NC[C@@H]1CCCN1CCCO)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908527069 663759307 /nfs/dbraw/zinc/75/93/07/663759307.db2.gz PLVFDEOCEOYBMK-OWCLPIDISA-N 1 3 309.454 0.966 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911071672 663979041 /nfs/dbraw/zinc/97/90/41/663979041.db2.gz CHANJGGBHLRCBE-KCPJHIHWSA-N 1 3 318.421 0.184 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N1CCC(C)CC1 ZINC000911093707 663981280 /nfs/dbraw/zinc/98/12/80/663981280.db2.gz YDIKXFWIJHYIDG-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)C1=CCN(C)CC1 ZINC000911220634 664007384 /nfs/dbraw/zinc/00/73/84/664007384.db2.gz XGHBOWDUDAXPNL-UMVBOHGHSA-N 1 3 322.453 0.115 20 0 DCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911222331 664007807 /nfs/dbraw/zinc/00/78/07/664007807.db2.gz CYMIKHTVULQLHA-GJZGRUSLSA-N 1 3 322.453 0.235 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000911224481 664011190 /nfs/dbraw/zinc/01/11/90/664011190.db2.gz YWCYYIHTXFZLHG-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911257397 664017066 /nfs/dbraw/zinc/01/70/66/664017066.db2.gz HUFLLLIOZAPDDG-QWHCGFSZSA-N 1 3 324.469 0.419 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324460 664028138 /nfs/dbraw/zinc/02/81/38/664028138.db2.gz CZCDFURJWULIMQ-MJBXVCDLSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911333078 664029894 /nfs/dbraw/zinc/02/98/94/664029894.db2.gz QKZUPOLRKQRPGR-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911337072 664037697 /nfs/dbraw/zinc/03/76/97/664037697.db2.gz PMWNRSPKKSGVNF-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000262065683 664759350 /nfs/dbraw/zinc/75/93/50/664759350.db2.gz OLXZCKJTVKDTSQ-CYBMUJFWSA-N 1 3 313.423 0.096 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015323780 664767591 /nfs/dbraw/zinc/76/75/91/664767591.db2.gz KFDUGWOUGWHBEH-GYMHETDLSA-N 1 3 305.422 0.450 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015323780 664767592 /nfs/dbraw/zinc/76/75/92/664767592.db2.gz KFDUGWOUGWHBEH-GYMHETDLSA-N 1 3 305.422 0.450 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)C1 ZINC000992802878 664771616 /nfs/dbraw/zinc/77/16/16/664771616.db2.gz AELLUJGPVVNSMN-XHSDSOJGSA-N 1 3 323.481 0.927 20 0 DCADHO CN1CCN(CCCCNC(=S)NCCC[NH+](C)C)CC1 ZINC000915126004 664866554 /nfs/dbraw/zinc/86/65/54/664866554.db2.gz RCLJILJAKPYORJ-UHFFFAOYSA-N 1 3 315.531 0.430 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000993810424 665005289 /nfs/dbraw/zinc/00/52/89/665005289.db2.gz WUVZUVUMUBXVAX-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000993810424 665005290 /nfs/dbraw/zinc/00/52/90/665005290.db2.gz WUVZUVUMUBXVAX-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794320 666103118 /nfs/dbraw/zinc/10/31/18/666103118.db2.gz FFCXUHCZWOQOFR-HNNXBMFYSA-N 1 3 324.469 0.420 20 0 DCADHO COC[C@H](C)N1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032044492 666212511 /nfs/dbraw/zinc/21/25/11/666212511.db2.gz SHIDJBDYAMPOSO-ZDUSSCGKSA-N 1 3 323.441 0.141 20 0 DCADHO C[NH+](C)CCc1ccccc1C(=O)NC1CCN(CCO)CC1 ZINC001003371719 666301814 /nfs/dbraw/zinc/30/18/14/666301814.db2.gz DBKWHOINIHRUEK-UHFFFAOYSA-N 1 3 319.449 0.977 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)NC2CCN(CCO)CC2)cc1 ZINC001003800690 666364485 /nfs/dbraw/zinc/36/44/85/666364485.db2.gz ZTCLZUOAAZWKDY-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691351818 1157650900 /nfs/dbraw/zinc/65/09/00/1157650900.db2.gz HRZKVLGDHNBJGQ-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001691351818 1157650902 /nfs/dbraw/zinc/65/09/02/1157650902.db2.gz HRZKVLGDHNBJGQ-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC(C)(C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)[NH+]1CCCCC1 ZINC000995820324 666713819 /nfs/dbraw/zinc/71/38/19/666713819.db2.gz FTTBNVIIOLXOPJ-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996191684 666746879 /nfs/dbraw/zinc/74/68/79/666746879.db2.gz PINNSMMQZUQBRX-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000996191684 666746881 /nfs/dbraw/zinc/74/68/81/666746881.db2.gz PINNSMMQZUQBRX-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033663712 666785797 /nfs/dbraw/zinc/78/57/97/666785797.db2.gz YEVLVOXZUTZIQX-HOCLYGCPSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033663712 666785800 /nfs/dbraw/zinc/78/58/00/666785800.db2.gz YEVLVOXZUTZIQX-HOCLYGCPSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCN(CCO)C1 ZINC001033686043 666795059 /nfs/dbraw/zinc/79/50/59/666795059.db2.gz YTUOGFNUZHDIKD-MRXNPFEDSA-N 1 3 305.422 0.887 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CCN(C2CC2)C1 ZINC000734274027 666860650 /nfs/dbraw/zinc/86/06/50/666860650.db2.gz FURRYQZSGNZXTK-VHDGCEQUSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H]1CCN(C2CC2)C1 ZINC000734274027 666860653 /nfs/dbraw/zinc/86/06/53/666860653.db2.gz FURRYQZSGNZXTK-VHDGCEQUSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734274027 666860654 /nfs/dbraw/zinc/86/06/54/666860654.db2.gz FURRYQZSGNZXTK-VHDGCEQUSA-N 1 3 308.426 0.386 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734274027 666860657 /nfs/dbraw/zinc/86/06/57/666860657.db2.gz FURRYQZSGNZXTK-VHDGCEQUSA-N 1 3 308.426 0.386 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1)C(N)=O ZINC000996696441 666862933 /nfs/dbraw/zinc/86/29/33/666862933.db2.gz OSLOPAQRKWOONY-KBPBESRZSA-N 1 3 312.458 0.417 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CCF)CC1 ZINC000996824089 666934969 /nfs/dbraw/zinc/93/49/69/666934969.db2.gz YXSZSOVIDSZFIC-UGWHAMFMSA-N 1 3 311.401 0.400 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861708530 666961787 /nfs/dbraw/zinc/96/17/87/666961787.db2.gz AFRIZSFFLIPAOY-HOTGVXAUSA-N 1 3 309.454 0.920 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CC1 ZINC000861712149 666962529 /nfs/dbraw/zinc/96/25/29/666962529.db2.gz KCAHSBJOJIMTJE-JKSUJKDBSA-N 1 3 309.454 0.774 20 0 DCADHO Cc1cn[nH]c1CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643150 667165565 /nfs/dbraw/zinc/16/55/65/667165565.db2.gz IMWLSIWMBFPVHV-KGLIPLIRSA-N 1 3 305.382 0.475 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001034971183 667201180 /nfs/dbraw/zinc/20/11/80/667201180.db2.gz FAGKYUPMQBRKSW-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)CC2(O)CCOCC2)[C@@H](C)C1 ZINC000863969333 667204092 /nfs/dbraw/zinc/20/40/92/667204092.db2.gz VFHVNSQFQHHUTI-JYJNAYRXSA-N 1 3 314.470 0.941 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)CC2(O)CCOCC2)[C@@H](C)C1 ZINC000863969333 667204096 /nfs/dbraw/zinc/20/40/96/667204096.db2.gz VFHVNSQFQHHUTI-JYJNAYRXSA-N 1 3 314.470 0.941 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001035123178 667251055 /nfs/dbraw/zinc/25/10/55/667251055.db2.gz ILMJBJHTEFGGBR-LSDHHAIUSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001035123178 667251056 /nfs/dbraw/zinc/25/10/56/667251056.db2.gz ILMJBJHTEFGGBR-LSDHHAIUSA-N 1 3 305.426 0.452 20 0 DCADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000864416581 667252807 /nfs/dbraw/zinc/25/28/07/667252807.db2.gz WMMSAJXRDFMAOP-LBPRGKRZSA-N 1 3 316.446 0.509 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166808 667260172 /nfs/dbraw/zinc/26/01/72/667260172.db2.gz UHEGQRUJXQCMJH-KBPBESRZSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001035166808 667260174 /nfs/dbraw/zinc/26/01/74/667260174.db2.gz UHEGQRUJXQCMJH-KBPBESRZSA-N 1 3 322.453 0.269 20 0 DCADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1)N(C)C ZINC001035229739 667276814 /nfs/dbraw/zinc/27/68/14/667276814.db2.gz YXDQANAMWIBQHV-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+]([C@@H](C)C(N)=O)C2)CC1)N(C)C ZINC001035229739 667276815 /nfs/dbraw/zinc/27/68/15/667276815.db2.gz YXDQANAMWIBQHV-KBPBESRZSA-N 1 3 324.469 0.515 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000865059838 667300891 /nfs/dbraw/zinc/30/08/91/667300891.db2.gz OLAQQBRATAICBC-GJZGRUSLSA-N 1 3 321.425 0.038 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997605790 667347073 /nfs/dbraw/zinc/34/70/73/667347073.db2.gz HXPZTXLTVXIMSN-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC2(CN(CCO)C2)CC1 ZINC001035705899 667402557 /nfs/dbraw/zinc/40/25/57/667402557.db2.gz ISZWWKINNUTFEO-OAHLLOKOSA-N 1 3 307.438 0.245 20 0 DCADHO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035798316 667410784 /nfs/dbraw/zinc/41/07/84/667410784.db2.gz LZPXBYGGGHGKCJ-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036031821 667421763 /nfs/dbraw/zinc/42/17/63/667421763.db2.gz ZPCRDSFQENSHPV-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO COCC[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000884186024 667492602 /nfs/dbraw/zinc/49/26/02/667492602.db2.gz OEXWMJPFFQJZQX-OAHLLOKOSA-N 1 3 309.410 0.607 20 0 DCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(C(=O)NCc3ccccc3)CC2)C1 ZINC000923301307 667500186 /nfs/dbraw/zinc/50/01/86/667500186.db2.gz FKIZEILBORELQZ-ULQDDVLXSA-N 1 3 317.433 0.865 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](N)CCOC)C1 ZINC000884230091 667505309 /nfs/dbraw/zinc/50/53/09/667505309.db2.gz IUDZBGMPSRLYQA-UONOGXRCSA-N 1 3 301.431 0.310 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000923323390 667508043 /nfs/dbraw/zinc/50/80/43/667508043.db2.gz SXGLJOUHCFDZCU-YUELXQCFSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000923323390 667508046 /nfs/dbraw/zinc/50/80/46/667508046.db2.gz SXGLJOUHCFDZCU-YUELXQCFSA-N 1 3 310.442 0.632 20 0 DCADHO CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923376172 667519809 /nfs/dbraw/zinc/51/98/09/667519809.db2.gz VAHLYYUBGHCHIA-GJZGRUSLSA-N 1 3 311.430 0.407 20 0 DCADHO CC(C)COC[C@@H](O)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923376172 667519812 /nfs/dbraw/zinc/51/98/12/667519812.db2.gz VAHLYYUBGHCHIA-GJZGRUSLSA-N 1 3 311.430 0.407 20 0 DCADHO CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923374618 667520049 /nfs/dbraw/zinc/52/00/49/667520049.db2.gz BUDYRLWHUCSOAW-HUUCEWRRSA-N 1 3 311.430 0.550 20 0 DCADHO CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000923374618 667520051 /nfs/dbraw/zinc/52/00/51/667520051.db2.gz BUDYRLWHUCSOAW-HUUCEWRRSA-N 1 3 311.430 0.550 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000884340986 667527995 /nfs/dbraw/zinc/52/79/95/667527995.db2.gz QWUYNAVUVDMIBS-CHWSQXEVSA-N 1 3 306.414 0.146 20 0 DCADHO NC(=O)Cc1cccc2c1CCN(C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923413464 667530140 /nfs/dbraw/zinc/53/01/40/667530140.db2.gz PMUMOAAYUSBSLZ-HNNXBMFYSA-N 1 3 315.417 0.451 20 0 DCADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N(C)C ZINC000868230079 667545577 /nfs/dbraw/zinc/54/55/77/667545577.db2.gz YTVSUKVOCXPLSW-DDTOSNHZSA-N 1 3 304.394 0.506 20 0 DCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000923490448 667546379 /nfs/dbraw/zinc/54/63/79/667546379.db2.gz CQHVTBGMOIZFOG-GFCCVEGCSA-N 1 3 305.378 0.702 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCOC)CC1 ZINC000884442348 667546439 /nfs/dbraw/zinc/54/64/39/667546439.db2.gz BZUJBQJVANLIBQ-CQSZACIVSA-N 1 3 313.442 0.454 20 0 DCADHO NS(=O)(=O)C[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000923532056 667556341 /nfs/dbraw/zinc/55/63/41/667556341.db2.gz YJKQSVTZZIQBLR-CYBMUJFWSA-N 1 3 309.435 0.443 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@@H]1[NH3+] ZINC000868404712 667566482 /nfs/dbraw/zinc/56/64/82/667566482.db2.gz FPCVUVVHMNOXHU-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884576518 667569493 /nfs/dbraw/zinc/56/94/93/667569493.db2.gz JPIZLSZVSOHKJA-HNNXBMFYSA-N 1 3 324.469 0.564 20 0 DCADHO O=C(C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[C@@H](N2CCCC2)C1 ZINC000868420107 667570241 /nfs/dbraw/zinc/57/02/41/667570241.db2.gz UIPKELWQQLAULV-QLFBSQMISA-N 1 3 320.437 0.036 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884617624 667576199 /nfs/dbraw/zinc/57/61/99/667576199.db2.gz OYXXQEAAFPHGJV-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H]1CCCCN1CC)[C@H]1CC[NH2+]C1 ZINC000884617731 667576609 /nfs/dbraw/zinc/57/66/09/667576609.db2.gz RUJDNIKDSXSMSX-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCC1(C)C ZINC000884711732 667597224 /nfs/dbraw/zinc/59/72/24/667597224.db2.gz XFLGXHAFCYYJCL-QGZVFWFLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884786159 667607510 /nfs/dbraw/zinc/60/75/10/667607510.db2.gz KNRBHLFVZIHRRG-KFWWJZLASA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)CC[C@H](NS(=O)(=O)N1CCNCC1)C(C)(C)C ZINC000923612118 667667308 /nfs/dbraw/zinc/66/73/08/667667308.db2.gz MPEORJFFHYFTFS-LBPRGKRZSA-N 1 3 306.476 0.092 20 0 DCADHO CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923630157 667815578 /nfs/dbraw/zinc/81/55/78/667815578.db2.gz SQWKVNLAMQCJKV-HZSPNIEDSA-N 1 3 301.456 0.484 20 0 DCADHO CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923630158 667815768 /nfs/dbraw/zinc/81/57/68/667815768.db2.gz SQWKVNLAMQCJKV-MELADBBJSA-N 1 3 301.456 0.484 20 0 DCADHO CCN(C(=O)C(=O)N(C)CCN1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000887070445 667845982 /nfs/dbraw/zinc/84/59/82/667845982.db2.gz MNOUBMJVQBQSRY-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)CC(C)(C)O)ccn1 ZINC000872204734 667877000 /nfs/dbraw/zinc/87/70/00/667877000.db2.gz DGDFGHJOWGELNH-AWEZNQCLSA-N 1 3 311.426 0.634 20 0 DCADHO C[C@H]1C[NH2+]C[C@H](NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000873216171 668066291 /nfs/dbraw/zinc/06/62/91/668066291.db2.gz JHWRCMAAXVQHMT-TZMCWYRMSA-N 1 3 300.410 0.814 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924486529 668211289 /nfs/dbraw/zinc/21/12/89/668211289.db2.gz QUCVFQDPLNAKJD-DZGCQCFKSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@H]1CC[N@H+](C2CC2)C1 ZINC000924486529 668211293 /nfs/dbraw/zinc/21/12/93/668211293.db2.gz QUCVFQDPLNAKJD-DZGCQCFKSA-N 1 3 320.437 0.877 20 0 DCADHO CN(C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CCCCC3)C2)C1=O ZINC000925333063 668297754 /nfs/dbraw/zinc/29/77/54/668297754.db2.gz YZJIRILNKXXPBV-ZIAGYGMSSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CCCCC3)C2)C1=O ZINC000925333063 668297758 /nfs/dbraw/zinc/29/77/58/668297758.db2.gz YZJIRILNKXXPBV-ZIAGYGMSSA-N 1 3 308.426 0.875 20 0 DCADHO CC1(C)C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)C[C@@H]([NH3+])C1 ZINC000925606513 668334939 /nfs/dbraw/zinc/33/49/39/668334939.db2.gz KJYSYPQISDGWBD-FRRDWIJNSA-N 1 3 303.472 0.906 20 0 DCADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCN(CCN3CCOCC3)C2)C12CCC2 ZINC000925769649 668347031 /nfs/dbraw/zinc/34/70/31/668347031.db2.gz QEQDKCYNHHJJBH-BRWVUGGUSA-N 1 3 322.497 0.643 20 0 DCADHO Cn1ccn2c(CCN[C@@H]3C[C@H]([NH3+])CC(C)(C)C3)nnc2c1=O ZINC000925772164 668347837 /nfs/dbraw/zinc/34/78/37/668347837.db2.gz GJESMODLOPARMT-NWDGAFQWSA-N 1 3 318.425 0.466 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926167594 668382104 /nfs/dbraw/zinc/38/21/04/668382104.db2.gz DLODIUTXHBFZFR-MUIFIZLQSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926167594 668382107 /nfs/dbraw/zinc/38/21/07/668382107.db2.gz DLODIUTXHBFZFR-MUIFIZLQSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926167590 668382476 /nfs/dbraw/zinc/38/24/76/668382476.db2.gz DLODIUTXHBFZFR-JHNDHUHGSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926167590 668382478 /nfs/dbraw/zinc/38/24/78/668382478.db2.gz DLODIUTXHBFZFR-JHNDHUHGSA-N 1 3 311.470 0.924 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926172160 668383194 /nfs/dbraw/zinc/38/31/94/668383194.db2.gz YKWFLCDCSDQCPH-NPCUJANDSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926172160 668383198 /nfs/dbraw/zinc/38/31/98/668383198.db2.gz YKWFLCDCSDQCPH-NPCUJANDSA-N 1 3 311.470 0.923 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC000763042983 668393616 /nfs/dbraw/zinc/39/36/16/668393616.db2.gz ABUHCLDLERKSLU-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000926567039 668412504 /nfs/dbraw/zinc/41/25/04/668412504.db2.gz OHGQNGWVUIPUBW-SJPCQFCGSA-N 1 3 323.481 0.798 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000926902093 668439248 /nfs/dbraw/zinc/43/92/48/668439248.db2.gz VCRJJPAUCYAHJG-YIONKMFJSA-N 1 3 310.438 0.964 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876748521 668501001 /nfs/dbraw/zinc/50/10/01/668501001.db2.gz DPZBUPQGDCKJIE-IHRRRGAJSA-N 1 3 324.469 0.419 20 0 DCADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876780840 668509847 /nfs/dbraw/zinc/50/98/47/668509847.db2.gz YOHNWZCYWZWTST-HNNXBMFYSA-N 1 3 319.453 0.574 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000876782484 668510725 /nfs/dbraw/zinc/51/07/25/668510725.db2.gz SQUQWLAICCRLEC-OMLPYABRSA-N 1 3 322.497 0.788 20 0 DCADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000876973559 668546039 /nfs/dbraw/zinc/54/60/39/668546039.db2.gz KBCYMAZDHNRFND-XJNRFOTBSA-N 1 3 307.438 0.912 20 0 DCADHO NC1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC2(CCC2)C1 ZINC000877327793 668602034 /nfs/dbraw/zinc/60/20/34/668602034.db2.gz DGHOTENQSVQJGI-ZDUSSCGKSA-N 1 3 307.438 0.923 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@@H]1C(F)(F)F ZINC000877370822 668610089 /nfs/dbraw/zinc/61/00/89/668610089.db2.gz GLZCQTCUIIFWRU-MXWKQRLJSA-N 1 3 309.332 0.351 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877403636 668616451 /nfs/dbraw/zinc/61/64/51/668616451.db2.gz RVGIHPAHNHUMJG-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000877450451 668619924 /nfs/dbraw/zinc/61/99/24/668619924.db2.gz BBAUQFXABNLRMR-KWCYVHTRSA-N 1 3 303.410 0.795 20 0 DCADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H](CO)C1CC1)c1ccccc1 ZINC000771821808 668754339 /nfs/dbraw/zinc/75/43/39/668754339.db2.gz VWMDUMSTRVUJHD-CVEARBPZSA-N 1 3 305.422 0.766 20 0 DCADHO CCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](C)CC2)[C@@H]1SC ZINC000878766286 668924427 /nfs/dbraw/zinc/92/44/27/668924427.db2.gz VYXGQHVNRDZFGC-NFAWXSAZSA-N 1 3 315.483 0.695 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(N)nc2)CC1 ZINC000929954746 668931406 /nfs/dbraw/zinc/93/14/06/668931406.db2.gz XCGLMFMPAAXFFS-UHFFFAOYSA-N 1 3 305.426 0.554 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)C2(O)CCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000930138103 668966806 /nfs/dbraw/zinc/96/68/06/668966806.db2.gz XODNALLKNOUQMV-BZUAXINKSA-N 1 3 311.470 0.220 20 0 DCADHO COC(=O)CNC(=O)CCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880263037 669183551 /nfs/dbraw/zinc/18/35/51/669183551.db2.gz WEIHOKUWOPIAJE-ZDUSSCGKSA-N 1 3 320.393 0.271 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000931549372 669220416 /nfs/dbraw/zinc/22/04/16/669220416.db2.gz NBKDYXYNDOULIH-GOEBONIOSA-N 1 3 309.454 0.897 20 0 DCADHO CCN1CC[C@H]1CNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000882483874 669529789 /nfs/dbraw/zinc/52/97/89/669529789.db2.gz MOPCLJUZZFWPHD-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CC[C@H]1CNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882483874 669529794 /nfs/dbraw/zinc/52/97/94/669529794.db2.gz MOPCLJUZZFWPHD-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC000950247596 669984967 /nfs/dbraw/zinc/98/49/67/669984967.db2.gz APXJFUWFVWOJHH-MRVWCRGKSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC000950247596 669984972 /nfs/dbraw/zinc/98/49/72/669984972.db2.gz APXJFUWFVWOJHH-MRVWCRGKSA-N 1 3 319.409 0.010 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC000799165064 670046827 /nfs/dbraw/zinc/04/68/27/670046827.db2.gz REVZHNODCGTLSK-RDBSUJKOSA-N 1 3 311.426 0.518 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCO)C2)C1 ZINC001036820667 670205171 /nfs/dbraw/zinc/20/51/71/670205171.db2.gz MVFSRIYYMHLLJP-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)C1 ZINC001036820667 670205172 /nfs/dbraw/zinc/20/51/72/670205172.db2.gz MVFSRIYYMHLLJP-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN(C(C)=O)C1 ZINC000849024462 670751721 /nfs/dbraw/zinc/75/17/21/670751721.db2.gz JPAZWHXPSCEZBO-CABCVRRESA-N 1 3 309.458 0.843 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N1CCCCC1 ZINC000857100764 670881821 /nfs/dbraw/zinc/88/18/21/670881821.db2.gz MQAYIVDOGZSKFQ-KEYYUXOJSA-N 1 3 322.453 0.317 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)NCC12CC(C1)C[NH2+]2 ZINC000851667908 671008323 /nfs/dbraw/zinc/00/83/23/671008323.db2.gz QBAGHTIYHJXYGO-VXKCQOAXSA-N 1 3 300.406 0.925 20 0 DCADHO CC1(N2CCOCC2)CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000859774798 671146065 /nfs/dbraw/zinc/14/60/65/671146065.db2.gz XKOXDLCIAPIYGH-INIZCTEOSA-N 1 3 311.470 0.630 20 0 DCADHO COc1nccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000824826687 671441316 /nfs/dbraw/zinc/44/13/16/671441316.db2.gz NFHWYWGHCQWLTF-LBPRGKRZSA-N 1 3 309.414 0.487 20 0 DCADHO COc1nccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000824826687 671441318 /nfs/dbraw/zinc/44/13/18/671441318.db2.gz NFHWYWGHCQWLTF-LBPRGKRZSA-N 1 3 309.414 0.487 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C[C@@H]1C ZINC001671256459 1158094505 /nfs/dbraw/zinc/09/45/05/1158094505.db2.gz GBKOQYLKZQMZEB-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842015260 671973933 /nfs/dbraw/zinc/97/39/33/671973933.db2.gz JLECKHZVCRZVJP-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000842014794 671974269 /nfs/dbraw/zinc/97/42/69/671974269.db2.gz FDQVSWZSHJAGOS-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842194182 671992506 /nfs/dbraw/zinc/99/25/06/671992506.db2.gz YBYJSSVZMNRTPV-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC000846144225 672296827 /nfs/dbraw/zinc/29/68/27/672296827.db2.gz ILNAZPSLHANWBD-JKQORVJESA-N 1 3 322.453 0.620 20 0 DCADHO CCN1C[C@@H](CN(C)CCN(C)C2CC[NH+](C)CC2)OC1=O ZINC000846837547 672347931 /nfs/dbraw/zinc/34/79/31/672347931.db2.gz WTXMKSCKDNIHAU-OAHLLOKOSA-N 1 3 312.458 0.785 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CNCc2ccccc21 ZINC000390129489 685259621 /nfs/dbraw/zinc/25/96/21/685259621.db2.gz BMHNIYIVKYRGKL-INMHGKMJSA-N 1 3 315.417 0.853 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CNCc2ccccc21 ZINC000390129489 685259623 /nfs/dbraw/zinc/25/96/23/685259623.db2.gz BMHNIYIVKYRGKL-INMHGKMJSA-N 1 3 315.417 0.853 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000390129489 685259626 /nfs/dbraw/zinc/25/96/26/685259626.db2.gz BMHNIYIVKYRGKL-INMHGKMJSA-N 1 3 315.417 0.853 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024263437 693805491 /nfs/dbraw/zinc/80/54/91/693805491.db2.gz FEPZKDPNBZUJGH-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024263437 693805495 /nfs/dbraw/zinc/80/54/95/693805495.db2.gz FEPZKDPNBZUJGH-KGLIPLIRSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000953907194 685896336 /nfs/dbraw/zinc/89/63/36/685896336.db2.gz ZNOSQTAELFFFMT-YUELXQCFSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)CC[N@H+]1C ZINC000953907194 685896339 /nfs/dbraw/zinc/89/63/39/685896339.db2.gz ZNOSQTAELFFFMT-YUELXQCFSA-N 1 3 322.453 0.090 20 0 DCADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959914678 688259969 /nfs/dbraw/zinc/25/99/69/688259969.db2.gz QKYOZOWMZVPVRA-QMCVQRASSA-N 1 3 321.465 0.680 20 0 DCADHO O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959914678 688259972 /nfs/dbraw/zinc/25/99/72/688259972.db2.gz QKYOZOWMZVPVRA-QMCVQRASSA-N 1 3 321.465 0.680 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccnn1C ZINC000959924037 688262256 /nfs/dbraw/zinc/26/22/56/688262256.db2.gz HXMAUYHVMKFFBD-JKSUJKDBSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC000960219642 688328020 /nfs/dbraw/zinc/32/80/20/688328020.db2.gz SYIDCHWZGMPSIH-KBPBESRZSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC000960219642 688328024 /nfs/dbraw/zinc/32/80/24/688328024.db2.gz SYIDCHWZGMPSIH-KBPBESRZSA-N 1 3 320.441 0.536 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC000962305288 688878260 /nfs/dbraw/zinc/87/82/60/688878260.db2.gz IXYULTGJRVNHBA-AIANPOQGSA-N 1 3 317.437 0.271 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC000962305288 688878264 /nfs/dbraw/zinc/87/82/64/688878264.db2.gz IXYULTGJRVNHBA-AIANPOQGSA-N 1 3 317.437 0.271 20 0 DCADHO Cc1cnc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000962704283 688968810 /nfs/dbraw/zinc/96/88/10/688968810.db2.gz SXYDVMOMRISNKY-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000962704283 688968813 /nfs/dbraw/zinc/96/88/13/688968813.db2.gz SXYDVMOMRISNKY-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CN4CCC[C@H]4CO3)C2)C1 ZINC000963839724 689102912 /nfs/dbraw/zinc/10/29/12/689102912.db2.gz WCRIGAIFJCHECS-SCTLLLDMSA-N 1 3 307.438 0.887 20 0 DCADHO CCN1CC[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966167214 689664385 /nfs/dbraw/zinc/66/43/85/689664385.db2.gz MEBOGXRXNYXMQB-UKRRQHHQSA-N 1 3 307.442 0.905 20 0 DCADHO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000967708540 690050172 /nfs/dbraw/zinc/05/01/72/690050172.db2.gz LTRSXQXHAIVAJG-CABCVRRESA-N 1 3 305.426 0.247 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000968645374 690353179 /nfs/dbraw/zinc/35/31/79/690353179.db2.gz XSDQRWBXZRMGDU-CVEARBPZSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC000968645374 690353183 /nfs/dbraw/zinc/35/31/83/690353183.db2.gz XSDQRWBXZRMGDU-CVEARBPZSA-N 1 3 319.453 0.983 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968851258 690406327 /nfs/dbraw/zinc/40/63/27/690406327.db2.gz PVOXCQLKWQYXSK-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968851258 690406330 /nfs/dbraw/zinc/40/63/30/690406330.db2.gz PVOXCQLKWQYXSK-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007987596 690784464 /nfs/dbraw/zinc/78/44/64/690784464.db2.gz DLSKSCRXZXSZJX-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007987596 690784466 /nfs/dbraw/zinc/78/44/66/690784466.db2.gz DLSKSCRXZXSZJX-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)N(C)C ZINC001011208264 691487279 /nfs/dbraw/zinc/48/72/79/691487279.db2.gz QAUGWNCUISSHSF-RBSFLKMASA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)N(C)C ZINC001011208264 691487281 /nfs/dbraw/zinc/48/72/81/691487281.db2.gz QAUGWNCUISSHSF-RBSFLKMASA-N 1 3 324.469 0.338 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001018963201 693298396 /nfs/dbraw/zinc/29/83/96/693298396.db2.gz DBVIHEHXJWYCNI-HNNXBMFYSA-N 1 3 319.453 0.903 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCc3ccnn3C)C2)CCC1 ZINC001018963292 693298460 /nfs/dbraw/zinc/29/84/60/693298460.db2.gz IQWIOOIRIYBEHU-AWEZNQCLSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001019381095 693454699 /nfs/dbraw/zinc/45/46/99/693454699.db2.gz XVJMPGAYQIVKLI-ZBFHGGJFSA-N 1 3 319.453 0.637 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001019593405 693534480 /nfs/dbraw/zinc/53/44/80/693534480.db2.gz YGXYYWUFZOLURG-JSGCOSHPSA-N 1 3 310.442 0.171 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983423 694691380 /nfs/dbraw/zinc/69/13/80/694691380.db2.gz VZXVZBDIRCLYNR-GJZGRUSLSA-N 1 3 309.454 0.897 20 0 DCADHO CO[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983423 694691381 /nfs/dbraw/zinc/69/13/81/694691381.db2.gz VZXVZBDIRCLYNR-GJZGRUSLSA-N 1 3 309.454 0.897 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073611222 694751624 /nfs/dbraw/zinc/75/16/24/694751624.db2.gz QSIKMBJCKKNRIS-QLFBSQMISA-N 1 3 313.442 0.180 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611222 694751625 /nfs/dbraw/zinc/75/16/25/694751625.db2.gz QSIKMBJCKKNRIS-QLFBSQMISA-N 1 3 313.442 0.180 20 0 DCADHO CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001074755680 694920671 /nfs/dbraw/zinc/92/06/71/694920671.db2.gz RKTKXOVFRYUSMC-MLURZJSDSA-N 1 3 307.438 0.839 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)NC(=O)CC[NH+](C)C ZINC001077021180 695127103 /nfs/dbraw/zinc/12/71/03/695127103.db2.gz OHHMWPUFDRQNIP-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H](C[NH2+]CCO)C2CC2)C1 ZINC001670522163 1157455244 /nfs/dbraw/zinc/45/52/44/1157455244.db2.gz HJQYIGJRXOVYFI-XJKSGUPXSA-N 1 3 315.433 0.676 20 0 DCADHO CN(C(=O)c1cc2c(s1)CCNC2)C1(C[NH3+])CCOCC1 ZINC001649111883 1158644646 /nfs/dbraw/zinc/64/46/46/1158644646.db2.gz PLCKXDOPDOLNLT-UHFFFAOYSA-N 1 3 309.435 0.974 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001446463443 1159426543 /nfs/dbraw/zinc/42/65/43/1159426543.db2.gz RZZKKWJLZMAVDB-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001447183226 1159597969 /nfs/dbraw/zinc/59/79/69/1159597969.db2.gz OIDVRDTYDIKOOG-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001447183226 1159597976 /nfs/dbraw/zinc/59/79/76/1159597976.db2.gz OIDVRDTYDIKOOG-CABCVRRESA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001453218112 1159751939 /nfs/dbraw/zinc/75/19/39/1159751939.db2.gz XKASOUPRTBLXQX-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCNC1=O ZINC001566574732 1160073082 /nfs/dbraw/zinc/07/30/82/1160073082.db2.gz GWNKYUQBPJNRIK-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNCC(N)=O)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001567496224 1160394537 /nfs/dbraw/zinc/39/45/37/1160394537.db2.gz DUEQBLFVNCPDKT-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CCNCC(N)=O)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001567496224 1160394547 /nfs/dbraw/zinc/39/45/47/1160394547.db2.gz DUEQBLFVNCPDKT-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CCn1cc(CC[NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)cn1 ZINC001567507749 1160401814 /nfs/dbraw/zinc/40/18/14/1160401814.db2.gz JNOPWHVWWWNVMG-UHFFFAOYSA-N 1 3 321.469 0.978 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749998 1160759272 /nfs/dbraw/zinc/75/92/72/1160759272.db2.gz VKASSIUMVZYVIL-AWEZNQCLSA-N 1 3 300.447 0.099 20 0 DCADHO Cn1cncc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001569968721 1161355763 /nfs/dbraw/zinc/35/57/63/1161355763.db2.gz NRZUMMHWZNYHHC-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC001573646706 1163521052 /nfs/dbraw/zinc/52/10/52/1163521052.db2.gz VIPABHZFESKASP-HZSPNIEDSA-N 1 3 303.472 0.778 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cn(C3C[NH2+]C3)nn2)C1 ZINC001575138697 1163912992 /nfs/dbraw/zinc/91/29/92/1163912992.db2.gz BMUFBSYCQLQDAQ-HNNXBMFYSA-N 1 3 324.404 0.251 20 0 DCADHO CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001575557410 1164059628 /nfs/dbraw/zinc/05/96/28/1164059628.db2.gz AASSBFZGJITESY-CABCVRRESA-N 1 3 324.469 0.691 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001575833558 1164167315 /nfs/dbraw/zinc/16/73/15/1164167315.db2.gz ULFMUXQZNMLQCF-HIFRSBDPSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001575833558 1164167319 /nfs/dbraw/zinc/16/73/19/1164167319.db2.gz ULFMUXQZNMLQCF-HIFRSBDPSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC001575962310 1164194975 /nfs/dbraw/zinc/19/49/75/1164194975.db2.gz OUSTUCULTXFNKA-INMHGKMJSA-N 1 3 308.470 0.518 20 0 DCADHO C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC001576033759 1164218768 /nfs/dbraw/zinc/21/87/68/1164218768.db2.gz VRKYMWIQGIBTCU-QWHCGFSZSA-N 1 3 313.442 0.751 20 0 DCADHO CCN(CCNCc1c[nH]nn1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001576542516 1164384099 /nfs/dbraw/zinc/38/40/99/1164384099.db2.gz PRISLGWYLKFUHE-OAHLLOKOSA-N 1 3 322.457 0.863 20 0 DCADHO CCN(CCNCc1c[nH]nn1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001576542516 1164384107 /nfs/dbraw/zinc/38/41/07/1164384107.db2.gz PRISLGWYLKFUHE-OAHLLOKOSA-N 1 3 322.457 0.863 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001576651431 1164424234 /nfs/dbraw/zinc/42/42/34/1164424234.db2.gz ZNTOVJPRXGWCHG-HZSPNIEDSA-N 1 3 323.437 0.661 20 0 DCADHO CCCN(CC[NH+]1CCCC1)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC001577523956 1164714426 /nfs/dbraw/zinc/71/44/26/1164714426.db2.gz NYDASMWPTWSDFQ-HNNXBMFYSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N(C)C ZINC001578221699 1164955862 /nfs/dbraw/zinc/95/58/62/1164955862.db2.gz KUIDYJFEAHBQSR-XHSDSOJGSA-N 1 3 308.470 0.754 20 0 DCADHO CN(C)[C@@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCO2)Cc1ccccc1 ZINC001578407877 1165003755 /nfs/dbraw/zinc/00/37/55/1165003755.db2.gz CIZCAJKXXOTMQK-LZLYRXPVSA-N 1 3 317.433 0.654 20 0 DCADHO C[NH+](C)CC1(O)CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC001578412051 1165004293 /nfs/dbraw/zinc/00/42/93/1165004293.db2.gz BRFNBWTWWIHFGD-HNNXBMFYSA-N 1 3 305.422 0.992 20 0 DCADHO CN(C)CCn1cc(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)ccc1=O ZINC001578419296 1165009147 /nfs/dbraw/zinc/00/91/47/1165009147.db2.gz QGZQBNRCUJBIRR-CHWSQXEVSA-N 1 3 306.410 0.722 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001578529087 1165046039 /nfs/dbraw/zinc/04/60/39/1165046039.db2.gz PHQNQHZBKHWHNZ-JJRVBVJISA-N 1 3 309.454 0.849 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC001578533405 1165049492 /nfs/dbraw/zinc/04/94/92/1165049492.db2.gz GCNSYBIJKGUDQJ-DOTOQJQBSA-N 1 3 323.485 0.537 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC001578640108 1165073279 /nfs/dbraw/zinc/07/32/79/1165073279.db2.gz FBWSKDHJSRUPRT-FMKPAKJESA-N 1 3 307.438 0.840 20 0 DCADHO COCC[C@H]([NH3+])CN[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC001579001894 1165185819 /nfs/dbraw/zinc/18/58/19/1165185819.db2.gz MXJGSYDYALBIDC-ROUUACIJSA-N 1 3 320.481 0.929 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C[C@]2(O)CC[NH2+]C2)o1 ZINC001579691136 1165375049 /nfs/dbraw/zinc/37/50/49/1165375049.db2.gz NBFFHFLBQFMETC-MRXNPFEDSA-N 1 3 309.410 0.593 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC001580135346 1165512496 /nfs/dbraw/zinc/51/24/96/1165512496.db2.gz AUBGEUKUHKPFBN-JKSUJKDBSA-N 1 3 305.422 0.519 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C[C@@H]1O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001580615890 1165658503 /nfs/dbraw/zinc/65/85/03/1165658503.db2.gz JJBODZALJCCXBM-XHSDSOJGSA-N 1 3 318.421 0.133 20 0 DCADHO O=C1CNC(=O)N1CCCN1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC001580849670 1165737169 /nfs/dbraw/zinc/73/71/69/1165737169.db2.gz FKOMJYDOMJOLNW-KBPBESRZSA-N 1 3 308.426 0.782 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C/CNC(=O)CC[NH+](C)C)C1 ZINC001583562166 1166270339 /nfs/dbraw/zinc/27/03/39/1166270339.db2.gz YDWBUSFORRNFIL-NNTXTVRGSA-N 1 3 310.442 0.069 20 0 DCADHO CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590471198 1166918067 /nfs/dbraw/zinc/91/80/67/1166918067.db2.gz YTFKYPQENWNBPQ-OAHLLOKOSA-N 1 3 315.425 0.813 20 0 DCADHO CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590471198 1166918073 /nfs/dbraw/zinc/91/80/73/1166918073.db2.gz YTFKYPQENWNBPQ-OAHLLOKOSA-N 1 3 315.425 0.813 20 0 DCADHO [NH3+]CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592744351 1167628076 /nfs/dbraw/zinc/62/80/76/1167628076.db2.gz IESIYCUYMLRWPA-IUODEOHRSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592744351 1167628079 /nfs/dbraw/zinc/62/80/79/1167628079.db2.gz IESIYCUYMLRWPA-IUODEOHRSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592744351 1167628081 /nfs/dbraw/zinc/62/80/81/1167628081.db2.gz IESIYCUYMLRWPA-IUODEOHRSA-N 1 3 316.409 0.961 20 0 DCADHO [NH3+]CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592744351 1167628093 /nfs/dbraw/zinc/62/80/93/1167628093.db2.gz IESIYCUYMLRWPA-IUODEOHRSA-N 1 3 316.409 0.961 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCC(=O)N3)CC2)CC1 ZINC001645972402 1172200711 /nfs/dbraw/zinc/20/07/11/1172200711.db2.gz AZMNIZKOUSAPBZ-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCCN(c2ncnc(N3CCC[N@H+](C)CC3)n2)CC1 ZINC001646629582 1172447099 /nfs/dbraw/zinc/44/70/99/1172447099.db2.gz KCJXQMLACVOPJH-UHFFFAOYSA-N 1 3 305.430 0.155 20 0 DCADHO CN1CCCN(c2ncnc(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC001646629582 1172447101 /nfs/dbraw/zinc/44/71/01/1172447101.db2.gz KCJXQMLACVOPJH-UHFFFAOYSA-N 1 3 305.430 0.155 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001646720755 1172490183 /nfs/dbraw/zinc/49/01/83/1172490183.db2.gz PLRANVCWZWLBRU-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC001647253611 1172767721 /nfs/dbraw/zinc/76/77/21/1172767721.db2.gz MAZNDGWQWHVFCH-VDERGJSUSA-N 1 3 307.438 0.968 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001647393065 1172859136 /nfs/dbraw/zinc/85/91/36/1172859136.db2.gz WRWUUTBETIYOJM-LSDHHAIUSA-N 1 3 311.474 0.393 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N[C@@H]3CCCN(CCCO)C3)[C@@H]2C1 ZINC001649312827 1173099023 /nfs/dbraw/zinc/09/90/23/1173099023.db2.gz KTMSIKUKEXODFZ-JJXSEGSLSA-N 1 3 324.469 0.473 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N[C@@H]3CCCN(CCCO)C3)[C@@H]2C1 ZINC001649312827 1173099024 /nfs/dbraw/zinc/09/90/24/1173099024.db2.gz KTMSIKUKEXODFZ-JJXSEGSLSA-N 1 3 324.469 0.473 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cc(C2CC2)nn1 ZINC001649903725 1173295510 /nfs/dbraw/zinc/29/55/10/1173295510.db2.gz KVWVVDXZMNEUHC-ZDUSSCGKSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cc(C2CC2)nn1 ZINC001649903725 1173295512 /nfs/dbraw/zinc/29/55/12/1173295512.db2.gz KVWVVDXZMNEUHC-ZDUSSCGKSA-N 1 3 322.457 0.544 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC001649996614 1173365224 /nfs/dbraw/zinc/36/52/24/1173365224.db2.gz UDGLEGCWPXVRTD-HNNXBMFYSA-N 1 3 323.485 0.407 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001650343757 1173581225 /nfs/dbraw/zinc/58/12/25/1173581225.db2.gz PSSLJHCVMLVGCN-MFKMUULPSA-N 1 3 304.394 0.626 20 0 DCADHO N[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CCCCCC1 ZINC001650345719 1173581792 /nfs/dbraw/zinc/58/17/92/1173581792.db2.gz IERQOZWDFDKDGN-HOTGVXAUSA-N 1 3 308.470 0.790 20 0 DCADHO N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001650347559 1173583338 /nfs/dbraw/zinc/58/33/38/1173583338.db2.gz QATCHDGJOPOSKB-IHRRRGAJSA-N 1 3 304.369 0.854 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001650388340 1173609858 /nfs/dbraw/zinc/60/98/58/1173609858.db2.gz BGWLJVDOXAYIGD-LSDHHAIUSA-N 1 3 304.438 0.641 20 0 DCADHO CCO[C@H](CNC(=O)[C@@]1(COC)CCCCN1)C[NH+](C)C ZINC001650393825 1173615642 /nfs/dbraw/zinc/61/56/42/1173615642.db2.gz FOOHNTHMHJBUCF-HIFRSBDPSA-N 1 3 301.431 0.228 20 0 DCADHO CCN1CCC(C[NH2+]CCS(=O)(=O)C2CCOCC2)CC1 ZINC001658144423 1173920669 /nfs/dbraw/zinc/92/06/69/1173920669.db2.gz NHWLVLCWBGHUPG-UHFFFAOYSA-N 1 3 318.483 0.902 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660190391 1173958069 /nfs/dbraw/zinc/95/80/69/1173958069.db2.gz MQIJMHAZEKRVTR-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CN(CCNCc1cccc(C(N)=O)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001664369647 1174426628 /nfs/dbraw/zinc/42/66/28/1174426628.db2.gz GGBNNPPYTJWTHV-OAHLLOKOSA-N 1 3 318.421 0.285 20 0 DCADHO CN(CCNCc1cccc(C(N)=O)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001664369647 1174426631 /nfs/dbraw/zinc/42/66/31/1174426631.db2.gz GGBNNPPYTJWTHV-OAHLLOKOSA-N 1 3 318.421 0.285 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001669001064 1174875773 /nfs/dbraw/zinc/87/57/73/1174875773.db2.gz KEZQXOLQYYEGMF-GJBLVYBDSA-N 1 3 322.453 0.211 20 0 DCADHO CCn1cc(CC[NH2+]C[C@H](C)NC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001669664971 1174941737 /nfs/dbraw/zinc/94/17/37/1174941737.db2.gz QPDOGYMGWADBNJ-CABCVRRESA-N 1 3 321.469 0.882 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)CN2CC[C@@H](C)C2)C1=O ZINC001670246412 1174995509 /nfs/dbraw/zinc/99/55/09/1174995509.db2.gz YOAJTDSYHTWORF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001670312764 1175002378 /nfs/dbraw/zinc/00/23/78/1175002378.db2.gz NOEPEWJJSZMETK-UHFFFAOYSA-N 1 3 305.426 0.454 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCCO)CCOCC1)N(C)C ZINC001671938068 1175046960 /nfs/dbraw/zinc/04/69/60/1175046960.db2.gz IRMYXVWYWMLICY-AWEZNQCLSA-N 1 3 315.458 0.210 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)CN1CCCC1 ZINC001687024419 1176266154 /nfs/dbraw/zinc/26/61/54/1176266154.db2.gz ZTHUXRUDERJRPJ-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)CN1CCCC1 ZINC001687024419 1176266159 /nfs/dbraw/zinc/26/61/59/1176266159.db2.gz ZTHUXRUDERJRPJ-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001687054570 1176269545 /nfs/dbraw/zinc/26/95/45/1176269545.db2.gz WDBKLUOYLNXFOY-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])C(C)(C)C)CC1 ZINC000119070379 1176688209 /nfs/dbraw/zinc/68/82/09/1176688209.db2.gz OABWSGIVVLFSHA-AWEZNQCLSA-N 1 3 312.458 0.372 20 0 DCADHO CN(CCC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN1C ZINC001699500231 1178166091 /nfs/dbraw/zinc/16/60/91/1178166091.db2.gz PVFWZQDBPXPWQM-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC1CC1 ZINC001699553378 1178196325 /nfs/dbraw/zinc/19/63/25/1178196325.db2.gz AEBHROASRGFKQH-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N(CCO)CCNCCF)C1 ZINC001700041551 1178456007 /nfs/dbraw/zinc/45/60/07/1178456007.db2.gz CLHRGZPKKWKRIG-ZIAGYGMSSA-N 1 3 303.422 0.487 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001700617584 1178682220 /nfs/dbraw/zinc/68/22/20/1178682220.db2.gz SMSSTOMOJXGBDE-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)CCCCC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001700947517 1178823763 /nfs/dbraw/zinc/82/37/63/1178823763.db2.gz STJACNGNUARGTN-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNC(=O)C2(N(C)C)CCC2)CC[N@@H+]1C ZINC001703401175 1179524415 /nfs/dbraw/zinc/52/44/15/1179524415.db2.gz DRMVTHFSIPPEED-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCCNC(=O)C2(N(C)C)CCC2)CC[N@H+]1C ZINC001703401175 1179524419 /nfs/dbraw/zinc/52/44/19/1179524419.db2.gz DRMVTHFSIPPEED-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001705043562 1180239386 /nfs/dbraw/zinc/23/93/86/1180239386.db2.gz SKIYSQMIUCNUTE-HSBSLETESA-N 1 3 324.469 0.457 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001705043562 1180239390 /nfs/dbraw/zinc/23/93/90/1180239390.db2.gz SKIYSQMIUCNUTE-HSBSLETESA-N 1 3 324.469 0.457 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@H]2C[C@@]23CCOC3)CCC1 ZINC001713600597 1180956949 /nfs/dbraw/zinc/95/69/49/1180956949.db2.gz SIKYZXBZAQNBSQ-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCn2cccn2)C1 ZINC001714368016 1181337765 /nfs/dbraw/zinc/33/77/65/1181337765.db2.gz VSGXZUCXEYRSNQ-ZDUSSCGKSA-N 1 3 302.382 0.287 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001714671354 1181470577 /nfs/dbraw/zinc/47/05/77/1181470577.db2.gz JMPNKNWLZGIMCL-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCOCCCN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001714965122 1181619251 /nfs/dbraw/zinc/61/92/51/1181619251.db2.gz PHTVQHLUTQUMIG-MRXNPFEDSA-N 1 3 309.454 0.803 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715813019 1182020971 /nfs/dbraw/zinc/02/09/71/1182020971.db2.gz BWAUPDHTOJYSIZ-LMVHVUTASA-N 1 3 324.469 0.647 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715813020 1182021515 /nfs/dbraw/zinc/02/15/15/1182021515.db2.gz BWAUPDHTOJYSIZ-PSKZRQQASA-N 1 3 324.469 0.647 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001715948455 1182115729 /nfs/dbraw/zinc/11/57/29/1182115729.db2.gz FSAJCOPVHCNKRM-ZIAGYGMSSA-N 1 3 307.442 0.399 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001715956287 1182118366 /nfs/dbraw/zinc/11/83/66/1182118366.db2.gz XSFSSOWLDIQFBP-YPMHNXCESA-N 1 3 315.849 0.971 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)Cc1c[nH]cn1 ZINC001716569693 1182447907 /nfs/dbraw/zinc/44/79/07/1182447907.db2.gz YAYAKTFAWCGQBU-ZDUSSCGKSA-N 1 3 307.398 0.011 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001717110857 1182680615 /nfs/dbraw/zinc/68/06/15/1182680615.db2.gz JNLIUMOOCQDSDJ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)=CCN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001717353803 1182797233 /nfs/dbraw/zinc/79/72/33/1182797233.db2.gz AXAQJLHYKYCRLC-OAHLLOKOSA-N 1 3 309.454 0.847 20 0 DCADHO CC(C)=CCN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717353803 1182797239 /nfs/dbraw/zinc/79/72/39/1182797239.db2.gz AXAQJLHYKYCRLC-OAHLLOKOSA-N 1 3 309.454 0.847 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CNCCS(C)(=O)=O)C(C)(C)C ZINC001717966729 1183091157 /nfs/dbraw/zinc/09/11/57/1183091157.db2.gz PSJJERNSWVXJNX-LBPRGKRZSA-N 1 3 321.487 0.103 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C)C(=O)N(C)C ZINC001723056267 1184257146 /nfs/dbraw/zinc/25/71/46/1184257146.db2.gz YFGJZWHZOPMOKP-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](O)CCC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001724725161 1184536237 /nfs/dbraw/zinc/53/62/37/1184536237.db2.gz ISJSLWPHVMOZQW-KGLIPLIRSA-N 1 3 308.426 0.941 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCOC1CCC1 ZINC001724940454 1184630244 /nfs/dbraw/zinc/63/02/44/1184630244.db2.gz ASIHJTIEXKUOQT-WFASDCNBSA-N 1 3 306.410 0.958 20 0 DCADHO CN(CCCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC001731263467 1185227461 /nfs/dbraw/zinc/22/74/61/1185227461.db2.gz ZWNQDPPVQQEBTD-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCCCN1C ZINC001731923828 1185579179 /nfs/dbraw/zinc/57/91/79/1185579179.db2.gz NUKNCIIKIBBKHD-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC1CCN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001731983909 1185624928 /nfs/dbraw/zinc/62/49/28/1185624928.db2.gz LZABEJSVURCVOC-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CC1CCN(C(=O)CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001731983909 1185624932 /nfs/dbraw/zinc/62/49/32/1185624932.db2.gz LZABEJSVURCVOC-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](CC[NH2+]Cc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001732728967 1185940055 /nfs/dbraw/zinc/94/00/55/1185940055.db2.gz PMHFIYNJSQFVQA-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732806530 1185977306 /nfs/dbraw/zinc/97/73/06/1185977306.db2.gz GRECXAYYSGMSNV-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCC(=O)NC(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001732806530 1185977310 /nfs/dbraw/zinc/97/73/10/1185977310.db2.gz GRECXAYYSGMSNV-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732807437 1185977398 /nfs/dbraw/zinc/97/73/98/1185977398.db2.gz ONVFZLAHPFVFOR-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001732807437 1185977402 /nfs/dbraw/zinc/97/74/02/1185977402.db2.gz ONVFZLAHPFVFOR-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/CN[C@@H](C)C(=O)NC)C1 ZINC001732893166 1186041477 /nfs/dbraw/zinc/04/14/77/1186041477.db2.gz UGSPTKDENDMQOD-WHJWBVKISA-N 1 3 324.469 0.505 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/CN[C@@H](C)C(=O)NC)C1 ZINC001732893166 1186041481 /nfs/dbraw/zinc/04/14/81/1186041481.db2.gz UGSPTKDENDMQOD-WHJWBVKISA-N 1 3 324.469 0.505 20 0 DCADHO C[C@@H](O)CN1CCC(CO)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001733918098 1186497528 /nfs/dbraw/zinc/49/75/28/1186497528.db2.gz HMMOOBGZSRVZBQ-CQSZACIVSA-N 1 3 315.458 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C ZINC001734410305 1186644591 /nfs/dbraw/zinc/64/45/91/1186644591.db2.gz UHYSUVXVLDONGS-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)CCCC[NH+](C)C ZINC001734431397 1186651938 /nfs/dbraw/zinc/65/19/38/1186651938.db2.gz ZRATYFIVZZVTDB-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNC/C=C\Cl)CC[N@@H+]1C ZINC001734517456 1186672297 /nfs/dbraw/zinc/67/22/97/1186672297.db2.gz BQCBTCKOVHPGKW-ILBVTBSISA-N 1 3 317.861 0.878 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNC/C=C\Cl)CC[N@H+]1C ZINC001734517456 1186672298 /nfs/dbraw/zinc/67/22/98/1186672298.db2.gz BQCBTCKOVHPGKW-ILBVTBSISA-N 1 3 317.861 0.878 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC/C=C/Cl)CC[N@@H+]1C ZINC001734517453 1186672821 /nfs/dbraw/zinc/67/28/21/1186672821.db2.gz BQCBTCKOVHPGKW-BVGADEKGSA-N 1 3 317.861 0.878 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC/C=C/Cl)CC[N@H+]1C ZINC001734517453 1186672824 /nfs/dbraw/zinc/67/28/24/1186672824.db2.gz BQCBTCKOVHPGKW-BVGADEKGSA-N 1 3 317.861 0.878 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001736791767 1187106797 /nfs/dbraw/zinc/10/67/97/1187106797.db2.gz AGWRNNWWNVIFIF-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001736854939 1187139278 /nfs/dbraw/zinc/13/92/78/1187139278.db2.gz XNMJNOQILOISAQ-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001736854939 1187139280 /nfs/dbraw/zinc/13/92/80/1187139280.db2.gz XNMJNOQILOISAQ-KKUMJFAQSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001742516303 1187998444 /nfs/dbraw/zinc/99/84/44/1187998444.db2.gz RIGOPPMOBMFKAJ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001742516303 1187998447 /nfs/dbraw/zinc/99/84/47/1187998447.db2.gz RIGOPPMOBMFKAJ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001742783806 1188051174 /nfs/dbraw/zinc/05/11/74/1188051174.db2.gz JEPHWCMSQQLCKB-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1C ZINC001742783806 1188051177 /nfs/dbraw/zinc/05/11/77/1188051177.db2.gz JEPHWCMSQQLCKB-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(N)=O)N(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001752259641 1188408980 /nfs/dbraw/zinc/40/89/80/1188408980.db2.gz HXXVTBHZFIACJM-YUELXQCFSA-N 1 3 324.469 0.561 20 0 DCADHO CC[C@@H](C(N)=O)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001752259641 1188408983 /nfs/dbraw/zinc/40/89/83/1188408983.db2.gz HXXVTBHZFIACJM-YUELXQCFSA-N 1 3 324.469 0.561 20 0 DCADHO CN(CCNCc1cccnc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753189638 1188528729 /nfs/dbraw/zinc/52/87/29/1188528729.db2.gz OSKVJJZDYNVPSE-INIZCTEOSA-N 1 3 302.422 0.971 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCCC1 ZINC001754025952 1188715025 /nfs/dbraw/zinc/71/50/25/1188715025.db2.gz UFNYRZVJGMSZSX-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](C(=O)NC/C=C/CN[C@@H]1CCNC1=O)[NH+]1CCCCCC1 ZINC001754178566 1188773711 /nfs/dbraw/zinc/77/37/11/1188773711.db2.gz QKNGWYNGGCOTGQ-DPOFCPOHSA-N 1 3 322.453 0.401 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001754945467 1188977904 /nfs/dbraw/zinc/97/79/04/1188977904.db2.gz YQAZWHFNQDYLQM-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CCC[NH2+][C@H]1CCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001755502596 1189130421 /nfs/dbraw/zinc/13/04/21/1189130421.db2.gz JNESYVCNNUIHDK-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C[C@H](O)CNC/C=C/Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755779677 1189208803 /nfs/dbraw/zinc/20/88/03/1189208803.db2.gz NZOJGFAJRBVHPT-UUQASAMASA-N 1 3 315.845 0.490 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001759740746 1190285154 /nfs/dbraw/zinc/28/51/54/1190285154.db2.gz SQKPGKPBXKLDEG-NMONBKHDSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001759740746 1190285162 /nfs/dbraw/zinc/28/51/62/1190285162.db2.gz SQKPGKPBXKLDEG-NMONBKHDSA-N 1 3 322.453 0.211 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001771755070 1190490336 /nfs/dbraw/zinc/49/03/36/1190490336.db2.gz MWMZLYKNHDCMOV-OAHLLOKOSA-N 1 3 318.465 0.906 20 0 DCADHO [NH3+]C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001772227737 1190636580 /nfs/dbraw/zinc/63/65/80/1190636580.db2.gz VLJDBONVBWZVNA-RDJZCZTQSA-N 1 3 317.433 0.854 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001772255534 1190645245 /nfs/dbraw/zinc/64/52/45/1190645245.db2.gz UDXMEQLSFYSTLA-ZIAGYGMSSA-N 1 3 316.405 0.723 20 0 DCADHO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001772255534 1190645246 /nfs/dbraw/zinc/64/52/46/1190645246.db2.gz UDXMEQLSFYSTLA-ZIAGYGMSSA-N 1 3 316.405 0.723 20 0 DCADHO CCN1CCN(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001772472598 1190693970 /nfs/dbraw/zinc/69/39/70/1190693970.db2.gz XDDMBAJGZWILNG-INIZCTEOSA-N 1 3 308.470 0.708 20 0 DCADHO CCN1CCN(C2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001772472598 1190693971 /nfs/dbraw/zinc/69/39/71/1190693971.db2.gz XDDMBAJGZWILNG-INIZCTEOSA-N 1 3 308.470 0.708 20 0 DCADHO c1ncc(N2CCN(C3CCCC3)CC2)nc1N1CC[NH2+]CC1 ZINC001165028432 721857181 /nfs/dbraw/zinc/85/71/81/721857181.db2.gz MDPLTVVOPRMWJS-UHFFFAOYSA-N 1 3 316.453 0.951 20 0 DCADHO O=C(NCCNCc1cncc(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779917 752066295 /nfs/dbraw/zinc/06/62/95/752066295.db2.gz SVFYQYZFLAZULN-HUUCEWRRSA-N 1 3 322.384 0.290 20 0 DCADHO O=C(NCCNCc1cncc(F)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779917 752066300 /nfs/dbraw/zinc/06/63/00/752066300.db2.gz SVFYQYZFLAZULN-HUUCEWRRSA-N 1 3 322.384 0.290 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCn3cncn3)C2)CCC1 ZINC001100404466 746932053 /nfs/dbraw/zinc/93/20/53/746932053.db2.gz CIIPCYFGAXJXPA-UHFFFAOYSA-N 1 3 320.441 0.247 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098533271 747026992 /nfs/dbraw/zinc/02/69/92/747026992.db2.gz ZXFNAWBVQQSEQL-AWEZNQCLSA-N 1 3 315.433 0.583 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098533271 747026995 /nfs/dbraw/zinc/02/69/95/747026995.db2.gz ZXFNAWBVQQSEQL-AWEZNQCLSA-N 1 3 315.433 0.583 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232617 747031472 /nfs/dbraw/zinc/03/14/72/747031472.db2.gz KEJSBXFUNXCTRH-CQSZACIVSA-N 1 3 324.469 0.340 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC001167260924 747044855 /nfs/dbraw/zinc/04/48/55/747044855.db2.gz QJXIZTMKLRTTKO-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCn2cncn2)CC1)N(C)C ZINC001167261092 747045319 /nfs/dbraw/zinc/04/53/19/747045319.db2.gz VWLIALPTWMKPEQ-AWEZNQCLSA-N 1 3 322.457 0.494 20 0 DCADHO C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287295 747096035 /nfs/dbraw/zinc/09/60/35/747096035.db2.gz BHDAPMPGBCOTBO-QLFBSQMISA-N 1 3 311.470 0.926 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001087392047 747911630 /nfs/dbraw/zinc/91/16/30/747911630.db2.gz BJGAXVRWTVCVGS-UKMLZYKCSA-N 1 3 318.421 0.503 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001087392047 747911635 /nfs/dbraw/zinc/91/16/35/747911635.db2.gz BJGAXVRWTVCVGS-UKMLZYKCSA-N 1 3 318.421 0.503 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220061987 747922541 /nfs/dbraw/zinc/92/25/41/747922541.db2.gz HWYUDQAUONQVBQ-UVARLRKDSA-N 1 3 303.472 0.463 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220061987 747922545 /nfs/dbraw/zinc/92/25/45/747922545.db2.gz HWYUDQAUONQVBQ-UVARLRKDSA-N 1 3 303.472 0.463 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CSCC[NH3+])CCCC1 ZINC001220217274 747932553 /nfs/dbraw/zinc/93/25/53/747932553.db2.gz SOHVEEGKYNNRFK-NSHDSACASA-N 1 3 315.439 0.513 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCO)C1 ZINC001211690536 748318546 /nfs/dbraw/zinc/31/85/46/748318546.db2.gz DFNJCZJIECKKOI-DLBZAZTESA-N 1 3 319.449 0.905 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114981931 748384356 /nfs/dbraw/zinc/38/43/56/748384356.db2.gz DSFNVFNOIUKQGV-QLPKVWCKSA-N 1 3 311.470 0.927 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114981931 748384363 /nfs/dbraw/zinc/38/43/63/748384363.db2.gz DSFNVFNOIUKQGV-QLPKVWCKSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001088326181 749369307 /nfs/dbraw/zinc/36/93/07/749369307.db2.gz JABPCNXLSLEILK-UONOGXRCSA-N 1 3 324.469 0.705 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC1 ZINC001088393564 749415613 /nfs/dbraw/zinc/41/56/13/749415613.db2.gz IPNBKSVNNLXVSY-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO Cn1nncc1C[NH2+]CC1(CCNC(=O)CN2CCCC2)CC1 ZINC001168146745 749499352 /nfs/dbraw/zinc/49/93/52/749499352.db2.gz KNESSNNOLJGVNJ-UHFFFAOYSA-N 1 3 320.441 0.287 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001168335900 749921162 /nfs/dbraw/zinc/92/11/62/749921162.db2.gz ZFHBFGUSNRSMKE-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CS(=O)(=O)NCC1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC001579345794 1165280547 /nfs/dbraw/zinc/28/05/47/1165280547.db2.gz GRDQJKFTWWCGMZ-UHFFFAOYSA-N 1 3 311.451 0.907 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001101036365 749981625 /nfs/dbraw/zinc/98/16/25/749981625.db2.gz OEHAGPRRETVOPT-YMAMQOFZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001077108802 750202432 /nfs/dbraw/zinc/20/24/32/750202432.db2.gz ULKCFEAJBCXRQD-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCc1ccnn1C ZINC001089038621 750773491 /nfs/dbraw/zinc/77/34/91/750773491.db2.gz DWATVIYBUJEQKR-FMKPAKJESA-N 1 3 319.453 0.493 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCc1ccnn1C ZINC001089038621 750773495 /nfs/dbraw/zinc/77/34/95/750773495.db2.gz DWATVIYBUJEQKR-FMKPAKJESA-N 1 3 319.453 0.493 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001077506487 750872863 /nfs/dbraw/zinc/87/28/63/750872863.db2.gz ZDSAEHIKAGHGSJ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254919 750932009 /nfs/dbraw/zinc/93/20/09/750932009.db2.gz GRTHRSACZAPRGO-GDBMZVCRSA-N 1 3 319.453 0.809 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127254919 750932011 /nfs/dbraw/zinc/93/20/11/750932011.db2.gz GRTHRSACZAPRGO-GDBMZVCRSA-N 1 3 319.453 0.809 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255576 750936342 /nfs/dbraw/zinc/93/63/42/750936342.db2.gz JXVJFMCSQLSQMP-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255576 750936346 /nfs/dbraw/zinc/93/63/46/750936346.db2.gz JXVJFMCSQLSQMP-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256722 750946822 /nfs/dbraw/zinc/94/68/22/750946822.db2.gz QUNDOUHHQZANOK-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256722 750946828 /nfs/dbraw/zinc/94/68/28/750946828.db2.gz QUNDOUHHQZANOK-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001106340157 751115283 /nfs/dbraw/zinc/11/52/83/751115283.db2.gz NQQSBAPAAPRILA-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001127344394 751157178 /nfs/dbraw/zinc/15/71/78/751157178.db2.gz KYUCXNORVBLRHC-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001127344394 751157181 /nfs/dbraw/zinc/15/71/81/751157181.db2.gz KYUCXNORVBLRHC-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC)[C@H](C)C1 ZINC001106784075 751277635 /nfs/dbraw/zinc/27/76/35/751277635.db2.gz AWVUODDHYBTEBB-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC ZINC001168596057 752671407 /nfs/dbraw/zinc/67/14/07/752671407.db2.gz RTKINLVDMKKEKG-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838981 752793638 /nfs/dbraw/zinc/79/36/38/752793638.db2.gz WYHUSWKOPMAXKF-HZPDHXFCSA-N 1 3 305.422 0.932 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749444 752858224 /nfs/dbraw/zinc/85/82/24/752858224.db2.gz KEUGAEONKRLXEH-TZMCWYRMSA-N 1 3 316.409 0.855 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCCC1 ZINC001044857041 752903442 /nfs/dbraw/zinc/90/34/42/752903442.db2.gz DSIZBOVGZGQQJS-KGLIPLIRSA-N 1 3 320.441 0.380 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCCNCc1cnnn1C)C(C)C ZINC001168666784 753018664 /nfs/dbraw/zinc/01/86/64/753018664.db2.gz LUUBXKCJHUQAGE-OAHLLOKOSA-N 1 3 324.473 0.777 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001045044241 753019150 /nfs/dbraw/zinc/01/91/50/753019150.db2.gz XQODBTHPHVAUEJ-KWCYVHTRSA-N 1 3 320.441 0.534 20 0 DCADHO Cc1nc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001045044241 753019152 /nfs/dbraw/zinc/01/91/52/753019152.db2.gz XQODBTHPHVAUEJ-KWCYVHTRSA-N 1 3 320.441 0.534 20 0 DCADHO CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCCO1 ZINC001078432650 753238654 /nfs/dbraw/zinc/23/86/54/753238654.db2.gz GFGPTYZRGSIWKX-GWUWNPHMSA-N 1 3 323.437 0.077 20 0 DCADHO COCCN1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326430 753646483 /nfs/dbraw/zinc/64/64/83/753646483.db2.gz MOVBJUGWFFIUNK-MRXNPFEDSA-N 1 3 323.441 0.285 20 0 DCADHO COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046492034 753747504 /nfs/dbraw/zinc/74/75/04/753747504.db2.gz HAGZFUSJHASOLW-OBKBAYEDSA-N 1 3 323.437 0.077 20 0 DCADHO COCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046492034 753747506 /nfs/dbraw/zinc/74/75/06/753747506.db2.gz HAGZFUSJHASOLW-OBKBAYEDSA-N 1 3 323.437 0.077 20 0 DCADHO CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046493406 753748708 /nfs/dbraw/zinc/74/87/08/753748708.db2.gz VHYGFBQJBZTLBE-OBKBAYEDSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046493406 753748710 /nfs/dbraw/zinc/74/87/10/753748710.db2.gz VHYGFBQJBZTLBE-OBKBAYEDSA-N 1 3 307.438 0.840 20 0 DCADHO CN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001046903337 754010468 /nfs/dbraw/zinc/01/04/68/754010468.db2.gz PDHVIOLIHVTKQP-BBRMVZONSA-N 1 3 319.409 0.011 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128773550 754270145 /nfs/dbraw/zinc/27/01/45/754270145.db2.gz BEJIOZXODHUKKH-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128773550 754270150 /nfs/dbraw/zinc/27/01/50/754270150.db2.gz BEJIOZXODHUKKH-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(CC)C1CC1 ZINC001128785769 754288754 /nfs/dbraw/zinc/28/87/54/754288754.db2.gz RJIUMERHYPLFCU-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N(CC)C1CC1 ZINC001128785769 754288756 /nfs/dbraw/zinc/28/87/56/754288756.db2.gz RJIUMERHYPLFCU-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)CC[N@@H+]1C ZINC001047500465 754335959 /nfs/dbraw/zinc/33/59/59/754335959.db2.gz DOXRYDGYSNRVJY-AJNGGQMLSA-N 1 3 315.433 0.580 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)CC[N@H+]1C ZINC001047500465 754335966 /nfs/dbraw/zinc/33/59/66/754335966.db2.gz DOXRYDGYSNRVJY-AJNGGQMLSA-N 1 3 315.433 0.580 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001168755139 754397165 /nfs/dbraw/zinc/39/71/65/754397165.db2.gz IWOKQGNOUGWDHR-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cnc(OC)nc1C ZINC001168755784 754426277 /nfs/dbraw/zinc/42/62/77/754426277.db2.gz SERBXHIBPLAAQY-UHFFFAOYSA-N 1 3 323.441 0.731 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC001118045094 754527523 /nfs/dbraw/zinc/52/75/23/754527523.db2.gz PXBNPDZGDTXYKJ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001048390898 754735038 /nfs/dbraw/zinc/73/50/38/754735038.db2.gz DTCGEWFEAVAONZ-QWHCGFSZSA-N 1 3 316.409 0.570 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1)C1CC1 ZINC001048864389 754985937 /nfs/dbraw/zinc/98/59/37/754985937.db2.gz XQBHAGRZDLDSGN-MXASKKJJSA-N 1 3 321.465 0.753 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1)C1CC1 ZINC001048864389 754985942 /nfs/dbraw/zinc/98/59/42/754985942.db2.gz XQBHAGRZDLDSGN-MXASKKJJSA-N 1 3 321.465 0.753 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763706 755216779 /nfs/dbraw/zinc/21/67/79/755216779.db2.gz RREUFBUTCJCHRY-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049465409 755275247 /nfs/dbraw/zinc/27/52/47/755275247.db2.gz RYSSEVJHEJBXCO-BZUAXINKSA-N 1 3 309.454 0.917 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049465409 755275251 /nfs/dbraw/zinc/27/52/51/755275251.db2.gz RYSSEVJHEJBXCO-BZUAXINKSA-N 1 3 309.454 0.917 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072151392 762385609 /nfs/dbraw/zinc/38/56/09/762385609.db2.gz BDSDYXTZDDVLQA-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001072287141 762426712 /nfs/dbraw/zinc/42/67/12/762426712.db2.gz SCNDIIITHRKHMI-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079807998 756015781 /nfs/dbraw/zinc/01/57/81/756015781.db2.gz BCOYXGUHJLNKBU-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CCN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079807998 756015783 /nfs/dbraw/zinc/01/57/83/756015783.db2.gz BCOYXGUHJLNKBU-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787557 756350983 /nfs/dbraw/zinc/35/09/83/756350983.db2.gz GYWCEQRYVGCOGH-HUUCEWRRSA-N 1 3 317.437 0.415 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001054743229 756623921 /nfs/dbraw/zinc/62/39/21/756623921.db2.gz FYTAYNIABAWQLU-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001072481403 762512054 /nfs/dbraw/zinc/51/20/54/762512054.db2.gz QGQRUIVXYQQGCW-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1cnnn1C ZINC001082741901 757253217 /nfs/dbraw/zinc/25/32/17/757253217.db2.gz INXANGNHTXUMRG-GZBFAFLISA-N 1 3 320.441 0.093 20 0 DCADHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1cnnn1C ZINC001082741901 757253221 /nfs/dbraw/zinc/25/32/21/757253221.db2.gz INXANGNHTXUMRG-GZBFAFLISA-N 1 3 320.441 0.093 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050662674 757941610 /nfs/dbraw/zinc/94/16/10/757941610.db2.gz MABJOTYOPQNIOB-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC001099985581 759087922 /nfs/dbraw/zinc/08/79/22/759087922.db2.gz DUNZXHFHMYWXHP-IRXDYDNUSA-N 1 3 319.449 0.732 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC001099986331 759110884 /nfs/dbraw/zinc/11/08/84/759110884.db2.gz JADBYLSPUNYTHI-JKSUJKDBSA-N 1 3 305.422 0.690 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147822770 767851668 /nfs/dbraw/zinc/85/16/68/767851668.db2.gz ACLQRTULHARPTA-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001147885841 767862372 /nfs/dbraw/zinc/86/23/72/767862372.db2.gz PNAUNMYCNHAFCZ-ZDUSSCGKSA-N 1 3 312.458 0.196 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC(C)(C)C)C1 ZINC001147885841 767862381 /nfs/dbraw/zinc/86/23/81/767862381.db2.gz PNAUNMYCNHAFCZ-ZDUSSCGKSA-N 1 3 312.458 0.196 20 0 DCADHO COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169107100 760593004 /nfs/dbraw/zinc/59/30/04/760593004.db2.gz CMPCZGYFRDKICT-RMEBNNNOSA-N 1 3 323.437 0.754 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365787 767974799 /nfs/dbraw/zinc/97/47/99/767974799.db2.gz ZUFJIROBQHKKCY-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CC(=O)N1CC[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001169563375 760730220 /nfs/dbraw/zinc/73/02/20/760730220.db2.gz NPNVVKKNTOLPGD-QGZVFWFLSA-N 1 3 308.470 0.567 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCc2ccnn2C)C1 ZINC001129340666 760787748 /nfs/dbraw/zinc/78/77/48/760787748.db2.gz ORHCHQMUXHQNNY-CQSZACIVSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCc2ccnn2C)C1 ZINC001129340666 760787756 /nfs/dbraw/zinc/78/77/56/760787756.db2.gz ORHCHQMUXHQNNY-CQSZACIVSA-N 1 3 307.442 0.604 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cccc(C(N)=O)c1 ZINC001148552060 768014507 /nfs/dbraw/zinc/01/45/07/768014507.db2.gz JPBXRPUQEOTOSK-UHFFFAOYSA-N 1 3 305.382 0.463 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)CC[N@H+](C)CCC ZINC001148577857 768019144 /nfs/dbraw/zinc/01/91/44/768019144.db2.gz GWCJTROMNKIYPX-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)CC[N@@H+](C)CCC ZINC001148577857 768019146 /nfs/dbraw/zinc/01/91/46/768019146.db2.gz GWCJTROMNKIYPX-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001148577763 768019156 /nfs/dbraw/zinc/01/91/56/768019156.db2.gz BPEHIKBDHISHOY-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001148577763 768019160 /nfs/dbraw/zinc/01/91/60/768019160.db2.gz BPEHIKBDHISHOY-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070501042 761279349 /nfs/dbraw/zinc/27/93/49/761279349.db2.gz WDLRZFVZRPILND-NUEKZKHPSA-N 1 3 319.453 0.664 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001070926349 761502781 /nfs/dbraw/zinc/50/27/81/761502781.db2.gz DUEDEADQYYGLGD-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](C)O)C1 ZINC001112586265 761704328 /nfs/dbraw/zinc/70/43/28/761704328.db2.gz QIAOIFVKBKGVTR-ZOBUZTSGSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001129410665 762931034 /nfs/dbraw/zinc/93/10/34/762931034.db2.gz QIQQOVBEUMUJDS-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001129410665 762931039 /nfs/dbraw/zinc/93/10/39/762931039.db2.gz QIQQOVBEUMUJDS-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001129417479 762932789 /nfs/dbraw/zinc/93/27/89/762932789.db2.gz OOPOUDCGZVLPPG-AWEZNQCLSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001129417479 762932792 /nfs/dbraw/zinc/93/27/92/762932792.db2.gz OOPOUDCGZVLPPG-AWEZNQCLSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F)N(C)C ZINC001129950438 763055500 /nfs/dbraw/zinc/05/55/00/763055500.db2.gz UFCDABLXUWJJCE-RYUDHWBXSA-N 1 3 307.385 0.703 20 0 DCADHO Cc1nonc1C[NH2+]CCCNC(=O)c1cnccc1N(C)C ZINC001171355102 768103416 /nfs/dbraw/zinc/10/34/16/768103416.db2.gz YLXVETCPMBUKHK-UHFFFAOYSA-N 1 3 318.381 0.749 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O)C1CCC1 ZINC001099879682 763095158 /nfs/dbraw/zinc/09/51/58/763095158.db2.gz OBTAFRVADFXUHO-HZPDHXFCSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1O)C1CCC1 ZINC001099879682 763095165 /nfs/dbraw/zinc/09/51/65/763095165.db2.gz OBTAFRVADFXUHO-HZPDHXFCSA-N 1 3 309.454 0.822 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cn1 ZINC001130187452 763165461 /nfs/dbraw/zinc/16/54/61/763165461.db2.gz VFWVIXIUBKTAST-GJZGRUSLSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cn1 ZINC001130187452 763165468 /nfs/dbraw/zinc/16/54/68/763165468.db2.gz VFWVIXIUBKTAST-GJZGRUSLSA-N 1 3 305.426 0.643 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1)N(C)C ZINC001130205560 763178467 /nfs/dbraw/zinc/17/84/67/763178467.db2.gz ORVOVNSAFRZGGP-GDBMZVCRSA-N 1 3 323.437 0.472 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1nc(C)no1 ZINC001130425291 763297014 /nfs/dbraw/zinc/29/70/14/763297014.db2.gz RPXSRXSELCNRAV-UHFFFAOYSA-N 1 3 311.430 0.747 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130709194 763449081 /nfs/dbraw/zinc/44/90/81/763449081.db2.gz WOWWEQHIAFPINO-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130709194 763449086 /nfs/dbraw/zinc/44/90/86/763449086.db2.gz WOWWEQHIAFPINO-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130711607 763450663 /nfs/dbraw/zinc/45/06/63/763450663.db2.gz XIXZUIHKSBHSEK-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130711607 763450671 /nfs/dbraw/zinc/45/06/71/763450671.db2.gz XIXZUIHKSBHSEK-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+]Cc2ccnn2C)C1)C1CCC1 ZINC001100410990 763560509 /nfs/dbraw/zinc/56/05/09/763560509.db2.gz YHBKAGXRORRLNN-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001100426495 763571516 /nfs/dbraw/zinc/57/15/16/763571516.db2.gz LINBWTPAOWOFAZ-BCLQGDPASA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001100443639 763581429 /nfs/dbraw/zinc/58/14/29/763581429.db2.gz SNULRHLRDLCOTI-ZBCRRDGASA-N 1 3 321.469 0.787 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647529 763701331 /nfs/dbraw/zinc/70/13/31/763701331.db2.gz ZZNYWERINSMDKY-PFSRBDOWSA-N 1 3 315.458 0.064 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001100684998 763723577 /nfs/dbraw/zinc/72/35/77/763723577.db2.gz VYCANNWBKBHBTI-ZALBZXLWSA-N 1 3 324.469 0.337 20 0 DCADHO O=C(NCC[NH2+]CC[C@@H]1CCCO1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519851 763843729 /nfs/dbraw/zinc/84/37/29/763843729.db2.gz LEKUTOMKOIMCIT-KRIMKBQASA-N 1 3 323.437 0.125 20 0 DCADHO C[N@H+](CCC(=O)NCCN[C@@H]1CCCNC1=O)C1CCCCC1 ZINC001131815395 764051783 /nfs/dbraw/zinc/05/17/83/764051783.db2.gz BGKUNJSAQVJLLK-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO C[N@@H+](CCC(=O)NCCN[C@@H]1CCCNC1=O)C1CCCCC1 ZINC001131815395 764051792 /nfs/dbraw/zinc/05/17/92/764051792.db2.gz BGKUNJSAQVJLLK-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132283815 764351789 /nfs/dbraw/zinc/35/17/89/764351789.db2.gz JWRFUXFHIVZCKR-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001132736831 764612193 /nfs/dbraw/zinc/61/21/93/764612193.db2.gz DHWSZNSUZBZHEA-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001132736831 764612189 /nfs/dbraw/zinc/61/21/89/764612189.db2.gz DHWSZNSUZBZHEA-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(N)=O ZINC001132795763 764654277 /nfs/dbraw/zinc/65/42/77/764654277.db2.gz XSAKDPMQFOYBFJ-HUUCEWRRSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(N)=O ZINC001132795763 764654283 /nfs/dbraw/zinc/65/42/83/764654283.db2.gz XSAKDPMQFOYBFJ-HUUCEWRRSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001132886064 764708066 /nfs/dbraw/zinc/70/80/66/764708066.db2.gz BENWQMITVPPUJR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001132886064 764708074 /nfs/dbraw/zinc/70/80/74/764708074.db2.gz BENWQMITVPPUJR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998783 764772452 /nfs/dbraw/zinc/77/24/52/764772452.db2.gz YXWRJELBZRRMKW-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133285749 764905888 /nfs/dbraw/zinc/90/58/88/764905888.db2.gz GWZGKTHMKIJYOP-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286074 764907565 /nfs/dbraw/zinc/90/75/65/764907565.db2.gz VYKDHBCZEIPFCD-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434230 764968403 /nfs/dbraw/zinc/96/84/03/764968403.db2.gz MSBCBRHPGLZSEH-ZIAGYGMSSA-N 1 3 314.474 0.439 20 0 DCADHO C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396635 765048023 /nfs/dbraw/zinc/04/80/23/765048023.db2.gz BNOCTRWHBHLDQB-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133831881 765162758 /nfs/dbraw/zinc/16/27/58/765162758.db2.gz VWGQXROSSQHGDU-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001133831881 765162759 /nfs/dbraw/zinc/16/27/59/765162759.db2.gz VWGQXROSSQHGDU-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001133845579 765178470 /nfs/dbraw/zinc/17/84/70/765178470.db2.gz IZCOPKRDBLOSHR-GOEBONIOSA-N 1 3 305.422 0.768 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133865236 765189112 /nfs/dbraw/zinc/18/91/12/765189112.db2.gz AXSHKYXSFPXOEL-TZMCWYRMSA-N 1 3 312.458 0.195 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133865236 765189120 /nfs/dbraw/zinc/18/91/20/765189120.db2.gz AXSHKYXSFPXOEL-TZMCWYRMSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccc2nonc2c1 ZINC001133863900 765189835 /nfs/dbraw/zinc/18/98/35/765189835.db2.gz RDEKEKOEBKQOSL-DGCLKSJQSA-N 1 3 317.393 0.626 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccc2nonc2c1 ZINC001133863900 765189837 /nfs/dbraw/zinc/18/98/37/765189837.db2.gz RDEKEKOEBKQOSL-DGCLKSJQSA-N 1 3 317.393 0.626 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001103999830 765229560 /nfs/dbraw/zinc/22/95/60/765229560.db2.gz MIPOBHQAONYEGB-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1)N(C)C ZINC001133965690 765258326 /nfs/dbraw/zinc/25/83/26/765258326.db2.gz FIPOCDVYJFZJTI-KGLIPLIRSA-N 1 3 301.431 0.228 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001133965989 765258480 /nfs/dbraw/zinc/25/84/80/765258480.db2.gz SKTAAFHTRKTIGD-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)CC)N(C)C ZINC001133967753 765260831 /nfs/dbraw/zinc/26/08/31/765260831.db2.gz CFFDWRCXLFFUAD-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H](COCC(=O)NCCNCc1cnn(C)c1)[NH+]1CCCC1 ZINC001134054698 765314019 /nfs/dbraw/zinc/31/40/19/765314019.db2.gz PRKBITZRQHSHGU-AWEZNQCLSA-N 1 3 323.441 0.127 20 0 DCADHO C[C@H](O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159928 765468053 /nfs/dbraw/zinc/46/80/53/765468053.db2.gz IFAXJLGJDQPXAB-HBNTYKKESA-N 1 3 311.348 0.298 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)N1CCCCCC1 ZINC001124866684 768318317 /nfs/dbraw/zinc/31/83/17/768318317.db2.gz IWPJKUHAYUYMFQ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC)CCCCC1)N(C)C ZINC001115591856 765763303 /nfs/dbraw/zinc/76/33/03/765763303.db2.gz ILWAEWCNACGXFS-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093909 765801704 /nfs/dbraw/zinc/80/17/04/765801704.db2.gz VIUPHFDAXQGYIF-ZFWWWQNUSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093909 765801712 /nfs/dbraw/zinc/80/17/12/765801712.db2.gz VIUPHFDAXQGYIF-ZFWWWQNUSA-N 1 3 305.426 0.643 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135476173 765949989 /nfs/dbraw/zinc/94/99/89/765949989.db2.gz ITPIBHRPYDOZOP-OLZOCXBDSA-N 1 3 314.474 0.583 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1 ZINC001135513075 765965823 /nfs/dbraw/zinc/96/58/23/765965823.db2.gz GKMVVEUQQMPMLK-HNNXBMFYSA-N 1 3 315.458 0.620 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC001117984745 766187237 /nfs/dbraw/zinc/18/72/37/766187237.db2.gz ALMUZRXJPRJYNL-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086820241 766250776 /nfs/dbraw/zinc/25/07/76/766250776.db2.gz VMMYALVHGNWQGJ-ZNMIVQPWSA-N 1 3 324.469 0.609 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@H]1CCN(CCC(F)(F)F)C[C@@H]1O ZINC001090818256 766632749 /nfs/dbraw/zinc/63/27/49/766632749.db2.gz UMKHRTUAAVLMNT-RYUDHWBXSA-N 1 3 323.359 0.586 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC001119427065 766675585 /nfs/dbraw/zinc/67/55/85/766675585.db2.gz DHEHGBSWPSPKLJ-SYQHCUMBSA-N 1 3 310.442 0.077 20 0 DCADHO Cc1nc(C)c(CNCCCNC(=O)COCC[NH+](C)C)o1 ZINC001171204764 767001890 /nfs/dbraw/zinc/00/18/90/767001890.db2.gz FKGQVWBRBHJAGH-UHFFFAOYSA-N 1 3 312.414 0.466 20 0 DCADHO C[C@@H](NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1cnccn1 ZINC001171226408 767048819 /nfs/dbraw/zinc/04/88/19/767048819.db2.gz GLBSAFMRCNDYBK-KGLIPLIRSA-N 1 3 305.426 0.975 20 0 DCADHO C[C@@H](NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cnccn1 ZINC001171226408 767048830 /nfs/dbraw/zinc/04/88/30/767048830.db2.gz GLBSAFMRCNDYBK-KGLIPLIRSA-N 1 3 305.426 0.975 20 0 DCADHO [NH3+]CCCCCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001120544833 767072125 /nfs/dbraw/zinc/07/21/25/767072125.db2.gz DAXCLKMMPQYQDE-CABCVRRESA-N 1 3 312.458 0.746 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)C[C@H]2O)CCC1 ZINC001099875162 767393048 /nfs/dbraw/zinc/39/30/48/767393048.db2.gz WZIOAAXTMHQQDU-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C[C@H]2O)CCC1 ZINC001099875162 767393057 /nfs/dbraw/zinc/39/30/57/767393057.db2.gz WZIOAAXTMHQQDU-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001146384916 767452292 /nfs/dbraw/zinc/45/22/92/767452292.db2.gz WSXDGPWIVDHJND-CQSZACIVSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001121245044 767478518 /nfs/dbraw/zinc/47/85/18/767478518.db2.gz CENMFEYYKXFREI-QXXLLSFRSA-N 1 3 322.453 0.090 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001146719987 767512412 /nfs/dbraw/zinc/51/24/12/767512412.db2.gz ZMHWBJODVVANKX-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001146719987 767512415 /nfs/dbraw/zinc/51/24/15/767512415.db2.gz ZMHWBJODVVANKX-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO Cn1ccnc1CNC1CC2(C1)CC(NC(=O)CC[NH+](C)C)C2 ZINC001121696247 767622069 /nfs/dbraw/zinc/62/20/69/767622069.db2.gz LPYSZPCGJFCOPW-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CN(CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)CC(C)(C)C ZINC001121791087 767636297 /nfs/dbraw/zinc/63/62/97/767636297.db2.gz FIVOFXXFIYMLPL-UHFFFAOYSA-N 1 3 324.469 0.467 20 0 DCADHO CSCC[C@H]([NH3+])CC(=O)NCCCN1CCN(C)CC1 ZINC001121925538 767670971 /nfs/dbraw/zinc/67/09/71/767670971.db2.gz AGQVHMQNARKVIP-ZDUSSCGKSA-N 1 3 302.488 0.211 20 0 DCADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2 ZINC001121935328 767673391 /nfs/dbraw/zinc/67/33/91/767673391.db2.gz NETWAIUAFSOSHR-MPXNVAGNSA-N 1 3 310.442 0.219 20 0 DCADHO CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122248380 767750834 /nfs/dbraw/zinc/75/08/34/767750834.db2.gz GEARCRUWYGQFQV-UHFFFAOYSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838711 768402456 /nfs/dbraw/zinc/40/24/56/768402456.db2.gz SYJHLUHHTVGPFO-HCBPCCMXSA-N 1 3 321.465 0.942 20 0 DCADHO CC(C)[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838711 768402461 /nfs/dbraw/zinc/40/24/61/768402461.db2.gz SYJHLUHHTVGPFO-HCBPCCMXSA-N 1 3 321.465 0.942 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC001203004624 768513273 /nfs/dbraw/zinc/51/32/73/768513273.db2.gz DQDSMBRTSNAZLA-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001161226624 768697973 /nfs/dbraw/zinc/69/79/73/768697973.db2.gz LPMBHBDBPUDINF-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)CN1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094278148 768944855 /nfs/dbraw/zinc/94/48/55/768944855.db2.gz ADQDGMXQYBQTCW-OAHLLOKOSA-N 1 3 320.441 0.501 20 0 DCADHO CC(C)CN1CC(n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001094278148 768944860 /nfs/dbraw/zinc/94/48/60/768944860.db2.gz ADQDGMXQYBQTCW-OAHLLOKOSA-N 1 3 320.441 0.501 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCCF)CCCO1)N(C)C ZINC001150350555 769072368 /nfs/dbraw/zinc/07/23/68/769072368.db2.gz LKMNFJCOGWKUBJ-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1)N(C)C ZINC001150350555 769072379 /nfs/dbraw/zinc/07/23/79/769072379.db2.gz LKMNFJCOGWKUBJ-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CN1CC[C@@H](NCCNC(=O)CCC[NH+]2CCCCC2)C1=O ZINC001151362017 769321323 /nfs/dbraw/zinc/32/13/23/769321323.db2.gz SROJFQLDKRZINM-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001171769658 769372081 /nfs/dbraw/zinc/37/20/81/769372081.db2.gz CFUVIMYMTJUKBB-HNNXBMFYSA-N 1 3 315.458 0.620 20 0 DCADHO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172130563 769429962 /nfs/dbraw/zinc/42/99/62/769429962.db2.gz PZOZACYZFBJPRM-XGUBFFRZSA-N 1 3 323.437 0.755 20 0 DCADHO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172130563 769429970 /nfs/dbraw/zinc/42/99/70/769429970.db2.gz PZOZACYZFBJPRM-XGUBFFRZSA-N 1 3 323.437 0.755 20 0 DCADHO C[NH+](C)CCCN1CCN([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172179119 769454077 /nfs/dbraw/zinc/45/40/77/769454077.db2.gz KHAYLNIRHTWFKI-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1[nH]nc2c1COCC2 ZINC001152017952 769461268 /nfs/dbraw/zinc/46/12/68/769461268.db2.gz KRNSMXDUPJBZCG-UHFFFAOYSA-N 1 3 308.386 0.160 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152347962 769533398 /nfs/dbraw/zinc/53/33/98/769533398.db2.gz JSDZEVSPVVPCLM-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCC(F)F ZINC001152457784 769566339 /nfs/dbraw/zinc/56/63/39/769566339.db2.gz IELKHWIMZNNJNG-GFCCVEGCSA-N 1 3 307.385 0.848 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCc1cnn(C)c1)[NH+]1CCCC1 ZINC001152472615 769571651 /nfs/dbraw/zinc/57/16/51/769571651.db2.gz RZLOKUHWRKJAKT-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173564917 769656494 /nfs/dbraw/zinc/65/64/94/769656494.db2.gz MXZGUBUXNFVLGF-SYQHCUMBSA-N 1 3 312.410 0.801 20 0 DCADHO COC(=O)[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173564917 769656499 /nfs/dbraw/zinc/65/64/99/769656499.db2.gz MXZGUBUXNFVLGF-SYQHCUMBSA-N 1 3 312.410 0.801 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001174691412 769779978 /nfs/dbraw/zinc/77/99/78/769779978.db2.gz KYWDUEVSNUHLPE-CZUORRHYSA-N 1 3 306.410 0.783 20 0 DCADHO c1ccc(N2CC[NH2+]CC2)c(CN2C[C@H]3CNC[C@@H](C2)O3)c1 ZINC001235337245 769819330 /nfs/dbraw/zinc/81/93/30/769819330.db2.gz HHGFDKJTDCTZTB-IYBDPMFKSA-N 1 3 302.422 0.269 20 0 DCADHO CCOC(=O)[C@]12CN(CCCC3OCCO3)C[C@H]1C[NH2+]CC2 ZINC001236038456 769970393 /nfs/dbraw/zinc/97/03/93/769970393.db2.gz PZQLFEKNZNRSRM-CZUORRHYSA-N 1 3 312.410 0.614 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910603 769995595 /nfs/dbraw/zinc/99/55/95/769995595.db2.gz WDDRTVZJDANIFR-CABCVRRESA-N 1 3 324.473 0.691 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001153910603 769995606 /nfs/dbraw/zinc/99/56/06/769995606.db2.gz WDDRTVZJDANIFR-CABCVRRESA-N 1 3 324.473 0.691 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176071866 770008056 /nfs/dbraw/zinc/00/80/56/770008056.db2.gz JQWMDMLDBPYCRV-ZDUSSCGKSA-N 1 3 306.410 0.638 20 0 DCADHO COc1cccc(CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176071866 770008070 /nfs/dbraw/zinc/00/80/70/770008070.db2.gz JQWMDMLDBPYCRV-ZDUSSCGKSA-N 1 3 306.410 0.638 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001176284263 770060933 /nfs/dbraw/zinc/06/09/33/770060933.db2.gz DZJOIXYDGMEWCM-STQMWFEESA-N 1 3 300.447 0.467 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)NCC12CCN(CC1)CC2 ZINC001238581604 770117857 /nfs/dbraw/zinc/11/78/57/770117857.db2.gz JCZCTMUFFZYPRH-UHFFFAOYSA-N 1 3 301.456 0.391 20 0 DCADHO CC(=O)c1cccc(S(=O)(=O)NCCC[NH2+]CCCN)c1 ZINC001238879917 770141246 /nfs/dbraw/zinc/14/12/46/770141246.db2.gz YJOQLVHTFQGDFQ-UHFFFAOYSA-N 1 3 313.423 0.496 20 0 DCADHO NCCS(=O)(=O)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001239016213 770166091 /nfs/dbraw/zinc/16/60/91/770166091.db2.gz GBNRDOBMPZDLNQ-VIFPVBQESA-N 1 3 315.361 0.281 20 0 DCADHO [NH3+]C[C@@]1(O)CCCN(C(=S)NCCN2CCCCC2)CC1 ZINC001239406263 770217313 /nfs/dbraw/zinc/21/73/13/770217313.db2.gz NOEIXARCQAQSBJ-OAHLLOKOSA-N 1 3 314.499 0.523 20 0 DCADHO CCCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971513 770262755 /nfs/dbraw/zinc/26/27/55/770262755.db2.gz AVELDJAKNBMNER-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001176972298 770265017 /nfs/dbraw/zinc/26/50/17/770265017.db2.gz VOQXZOALZOKAFL-LLVKDONJSA-N 1 3 313.364 0.736 20 0 DCADHO CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155225854 770440324 /nfs/dbraw/zinc/44/03/24/770440324.db2.gz AMYRFUNFOQWUFE-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](CCn1cncn1)[C@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001155225854 770440327 /nfs/dbraw/zinc/44/03/27/770440327.db2.gz AMYRFUNFOQWUFE-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001206654568 770447936 /nfs/dbraw/zinc/44/79/36/770447936.db2.gz ZRZCMWHSZBMAAC-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCCCC1 ZINC001155791027 770619124 /nfs/dbraw/zinc/61/91/24/770619124.db2.gz QXHRVDXAMVOCPD-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO COc1ncccc1C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791040 770619428 /nfs/dbraw/zinc/61/94/28/770619428.db2.gz RDFLMCPLCCECDW-AWEZNQCLSA-N 1 3 306.410 0.780 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178360559 770733093 /nfs/dbraw/zinc/73/30/93/770733093.db2.gz QNACCMIAQPMNLS-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)CCOCCO ZINC001156531061 770848323 /nfs/dbraw/zinc/84/83/23/770848323.db2.gz VZIVVAQNULMQGD-CQSZACIVSA-N 1 3 303.447 0.164 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCOCCO ZINC001156531061 770848334 /nfs/dbraw/zinc/84/83/34/770848334.db2.gz VZIVVAQNULMQGD-CQSZACIVSA-N 1 3 303.447 0.164 20 0 DCADHO Cn1cc(CNCCCCCCNC(=O)CCC[NH+](C)C)nn1 ZINC001179400760 770997699 /nfs/dbraw/zinc/99/76/99/770997699.db2.gz WZFKFAXHGHSDPY-UHFFFAOYSA-N 1 3 324.473 0.923 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+]C[C@@H](O)COC ZINC001179850417 771024377 /nfs/dbraw/zinc/02/43/77/771024377.db2.gz DNUZUCYNSSVUAZ-OAHLLOKOSA-N 1 3 317.474 0.602 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)[C@@H]1C ZINC001179987338 771043709 /nfs/dbraw/zinc/04/37/09/771043709.db2.gz QHQPJSNKAWESHX-KKUMJFAQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180124707 771066503 /nfs/dbraw/zinc/06/65/03/771066503.db2.gz NXVKPLBGYVERPK-QEJZJMRPSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180124707 771066506 /nfs/dbraw/zinc/06/65/06/771066506.db2.gz NXVKPLBGYVERPK-QEJZJMRPSA-N 1 3 322.453 0.043 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369617 771113956 /nfs/dbraw/zinc/11/39/56/771113956.db2.gz OCDONMGKQXOABA-AWEZNQCLSA-N 1 3 314.474 0.727 20 0 DCADHO CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001181653005 771326813 /nfs/dbraw/zinc/32/68/13/771326813.db2.gz TUYGPOKLUUNPGL-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1cc(CNCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)on1 ZINC001151152478 771456253 /nfs/dbraw/zinc/45/62/53/771456253.db2.gz UNWNRZOOPVFDJZ-LBPRGKRZSA-N 1 3 310.398 0.157 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473510 771497281 /nfs/dbraw/zinc/49/72/81/771497281.db2.gz SGSHJAAXEIZHLF-CABCVRRESA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473510 771497282 /nfs/dbraw/zinc/49/72/82/771497282.db2.gz SGSHJAAXEIZHLF-CABCVRRESA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC)C1)N(C)C ZINC001182637958 771519885 /nfs/dbraw/zinc/51/98/85/771519885.db2.gz SPUAEXXLNWSKKW-DVOMOZLQSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@H](C)C(N)=O)C1 ZINC001182933854 771585697 /nfs/dbraw/zinc/58/56/97/771585697.db2.gz PSUIUOOWJUALDI-XJKCOSOUSA-N 1 3 312.458 0.276 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001183039335 771595829 /nfs/dbraw/zinc/59/58/29/771595829.db2.gz HJCLFSDWFXASCU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001183039335 771595835 /nfs/dbraw/zinc/59/58/35/771595835.db2.gz HJCLFSDWFXASCU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001157414179 771604152 /nfs/dbraw/zinc/60/41/52/771604152.db2.gz UQBKVBMRUNSAFR-OAHLLOKOSA-N 1 3 314.393 0.764 20 0 DCADHO CN1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)[C@@H](c2ccccc2)C1 ZINC001157495021 771620443 /nfs/dbraw/zinc/62/04/43/771620443.db2.gz DFEJPCMBZVZEHX-HZPDHXFCSA-N 1 3 314.433 0.311 20 0 DCADHO COC(=O)N1CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC1 ZINC001157507042 771621985 /nfs/dbraw/zinc/62/19/85/771621985.db2.gz DIPXHMBCGUGDBN-ZDUSSCGKSA-N 1 3 314.430 0.393 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001183240818 771627739 /nfs/dbraw/zinc/62/77/39/771627739.db2.gz VJFXVBIIETVEJR-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001157844971 771679258 /nfs/dbraw/zinc/67/92/58/771679258.db2.gz YYXJYCCAAZUOAM-CRWXNKLISA-N 1 3 312.458 0.450 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001157891353 771687873 /nfs/dbraw/zinc/68/78/73/771687873.db2.gz XBHDEDNECUKVMT-SKDRFNHKSA-N 1 3 309.307 0.546 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001183759026 771696469 /nfs/dbraw/zinc/69/64/69/771696469.db2.gz DTXITAOEZRDZFE-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001183759026 771696473 /nfs/dbraw/zinc/69/64/73/771696473.db2.gz DTXITAOEZRDZFE-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO [NH3+][C@H]1CCc2nn(-c3nc(Cl)nc4c3CNCC4)cc2C1 ZINC001157979453 771706287 /nfs/dbraw/zinc/70/62/87/771706287.db2.gz FOGMCEOLKPAOMU-VIFPVBQESA-N 1 3 304.785 0.777 20 0 DCADHO [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1CC[C@]3(C1)CNCCO3)CC2 ZINC001158081480 771723268 /nfs/dbraw/zinc/72/32/68/771723268.db2.gz DJQRGPYNOOCYAN-GUYCJALGSA-N 1 3 307.438 0.875 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196842 771738909 /nfs/dbraw/zinc/73/89/09/771738909.db2.gz OTMKXSLYUZVDJG-HNNXBMFYSA-N 1 3 306.410 0.921 20 0 DCADHO Cn1cnc2c1ncnc2N1CCC([N@@H+]2CC[C@H](N)C2)CC1 ZINC001158258510 771747979 /nfs/dbraw/zinc/74/79/79/771747979.db2.gz BADCVGLEOHQVLC-NSHDSACASA-N 1 3 301.398 0.365 20 0 DCADHO Cn1cnc2c1ncnc2N1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001158258510 771747984 /nfs/dbraw/zinc/74/79/84/771747984.db2.gz BADCVGLEOHQVLC-NSHDSACASA-N 1 3 301.398 0.365 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158318962 771758789 /nfs/dbraw/zinc/75/87/89/771758789.db2.gz BLRNAVNORWGCJQ-LSDHHAIUSA-N 1 3 316.405 0.482 20 0 DCADHO O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327534 771760601 /nfs/dbraw/zinc/76/06/01/771760601.db2.gz LANGLJWUTSCAJH-BYNSBNAKSA-N 1 3 312.373 0.058 20 0 DCADHO N[C@]1(C(=O)N2CCC[C@H]3[NH2+]C[C@@H]32)CCc2cc(F)ccc2C1 ZINC001158422384 771772310 /nfs/dbraw/zinc/77/23/10/771772310.db2.gz KTAXEGLAUGUCJK-HLLBOEOZSA-N 1 3 303.381 0.975 20 0 DCADHO CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184423262 771787308 /nfs/dbraw/zinc/78/73/08/771787308.db2.gz CCEBWUGYZVLDFM-GYMHETDLSA-N 1 3 323.437 0.077 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc(CN(C)C)ccn1)CC2 ZINC001158643504 771800240 /nfs/dbraw/zinc/80/02/40/771800240.db2.gz VLRORMMCKWDBNT-RHSMWYFYSA-N 1 3 318.421 0.875 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc(CN(C)C)ccn1)CC2 ZINC001158643505 771800469 /nfs/dbraw/zinc/80/04/69/771800469.db2.gz VLRORMMCKWDBNT-WMLDXEAASA-N 1 3 318.421 0.875 20 0 DCADHO C[N@H+](CCC(=O)N1CC[C@@H](NCC(N)=O)C1)C1CCCCC1 ZINC001184609328 771806130 /nfs/dbraw/zinc/80/61/30/771806130.db2.gz MEXNARCFFDPYDS-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[N@@H+](CCC(=O)N1CC[C@@H](NCC(N)=O)C1)C1CCCCC1 ZINC001184609328 771806135 /nfs/dbraw/zinc/80/61/35/771806135.db2.gz MEXNARCFFDPYDS-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO CC[C@@H](N[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(N)=O ZINC001184628609 771808282 /nfs/dbraw/zinc/80/82/82/771808282.db2.gz MLUKSGHDAQWEMR-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184629259 771808569 /nfs/dbraw/zinc/80/85/69/771808569.db2.gz VKJMHRMPRJXBTH-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNCc1ccn(C)n1 ZINC001185073993 771864014 /nfs/dbraw/zinc/86/40/14/771864014.db2.gz WOTUNLXRWCKGAW-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185158990 771871142 /nfs/dbraw/zinc/87/11/42/771871142.db2.gz VUOZLDIENLMLGG-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158990 771871145 /nfs/dbraw/zinc/87/11/45/771871145.db2.gz VUOZLDIENLMLGG-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185205071 771879329 /nfs/dbraw/zinc/87/93/29/771879329.db2.gz MFLWDZLUXWSIFG-QWHCGFSZSA-N 1 3 321.425 0.163 20 0 DCADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc3c(nn2)CCNC3)O1 ZINC001159243695 771882927 /nfs/dbraw/zinc/88/29/27/771882927.db2.gz RWADPAJRBGOHDK-NFAWXSAZSA-N 1 3 307.398 0.259 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NCC2CCC2)C1 ZINC001185249134 771888719 /nfs/dbraw/zinc/88/87/19/771888719.db2.gz PPJMYBBOGSLEPC-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001185265992 771895292 /nfs/dbraw/zinc/89/52/92/771895292.db2.gz WGZDOUVZXLQJAK-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001185264977 771895511 /nfs/dbraw/zinc/89/55/11/771895511.db2.gz KRHWKBBOYJOOSV-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401371 771911888 /nfs/dbraw/zinc/91/18/88/771911888.db2.gz OYJPRKKKYXXPIU-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H]1N(C(=O)[C@@H](N)C2CC[NH2+]CC2)CCC[C@]12CCC(=O)N2 ZINC001159585889 771930242 /nfs/dbraw/zinc/93/02/42/771930242.db2.gz UVAKDZAGVYYSLO-KMFMINBZSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@@H]([NH3+])C(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664513 771941120 /nfs/dbraw/zinc/94/11/20/771941120.db2.gz FQYCHABBHALMPT-SNPRPXQTSA-N 1 3 304.394 0.231 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001159746309 771951438 /nfs/dbraw/zinc/95/14/38/771951438.db2.gz LAWHHUKCGATFJS-FRRDWIJNSA-N 1 3 322.434 0.521 20 0 DCADHO CN(C)c1cc(Cl)nc(C(F)(F)N[C@@H](N)CCC[NH3+])n1 ZINC001159780179 771956821 /nfs/dbraw/zinc/95/68/21/771956821.db2.gz SQEMLXBTVFJGHD-MRVPVSSYSA-N 1 3 308.764 0.859 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CCNC(=O)C2CC2)CCC1 ZINC001159860861 771969041 /nfs/dbraw/zinc/96/90/41/771969041.db2.gz FYAYSTPCTPXWEA-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCc1ccnn1C)C1CC1 ZINC001159923027 771977461 /nfs/dbraw/zinc/97/74/61/771977461.db2.gz CFQRLLKNNNKXRG-OAHLLOKOSA-N 1 3 307.442 0.399 20 0 DCADHO Cc1cnc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cn1 ZINC001159932977 771981244 /nfs/dbraw/zinc/98/12/44/771981244.db2.gz XFVHHUPCLKOILP-OAHLLOKOSA-N 1 3 305.426 0.721 20 0 DCADHO O=C([C@@H]1CCN1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160584825 772071810 /nfs/dbraw/zinc/07/18/10/772071810.db2.gz IHXKMMQIUAQSEF-LBPRGKRZSA-N 1 3 300.362 0.205 20 0 DCADHO COc1ccc(CN(C)C(=O)[C@H]2C[NH2+]CC23CNC3)c(OC)c1 ZINC001160675452 772091990 /nfs/dbraw/zinc/09/19/90/772091990.db2.gz CBDLQSDBQSMEGX-CQSZACIVSA-N 1 3 319.405 0.471 20 0 DCADHO CCc1noc([C@H]2CCCN(C(=O)[C@@H](N)CCCC[NH3+])C2)n1 ZINC001160743307 772105144 /nfs/dbraw/zinc/10/51/44/772105144.db2.gz VTCOUGDEUSURDM-RYUDHWBXSA-N 1 3 309.414 0.794 20 0 DCADHO CCOC(=O)c1coc2c1CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160760831 772107906 /nfs/dbraw/zinc/10/79/06/772107906.db2.gz AYFYNXZRUUDCLJ-LBPRGKRZSA-N 1 3 319.361 0.108 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866313 772128781 /nfs/dbraw/zinc/12/87/81/772128781.db2.gz ANUMFPCPGGJGPB-HIFRSBDPSA-N 1 3 320.441 0.428 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866313 772128782 /nfs/dbraw/zinc/12/87/82/772128782.db2.gz ANUMFPCPGGJGPB-HIFRSBDPSA-N 1 3 320.441 0.428 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001160883414 772132344 /nfs/dbraw/zinc/13/23/44/772132344.db2.gz MNJYVFKYTBGSLA-GHMZBOCLSA-N 1 3 313.364 0.736 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001160889997 772133095 /nfs/dbraw/zinc/13/30/95/772133095.db2.gz SESITMCPUGFKSZ-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CCCC[C@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(N)=O ZINC001187122451 772138278 /nfs/dbraw/zinc/13/82/78/772138278.db2.gz SUIDVXBVJLEWOV-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122253 772138548 /nfs/dbraw/zinc/13/85/48/772138548.db2.gz RPPCJPHGIKUUHB-CQSZACIVSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C1CC1 ZINC001187201629 772147375 /nfs/dbraw/zinc/14/73/75/772147375.db2.gz LFBOBIJTGCSTEC-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CC[NH2+]2)CCN1 ZINC001161015004 772149471 /nfs/dbraw/zinc/14/94/71/772149471.db2.gz VQUJUEGUPWALRD-NVXWUHKLSA-N 1 3 316.449 0.671 20 0 DCADHO C[NH+](C)CCC(=O)NCCC1=CCN(CCOCCO)CC1 ZINC001161090178 772166514 /nfs/dbraw/zinc/16/65/14/772166514.db2.gz QNTHWQZRIFMNFH-UHFFFAOYSA-N 1 3 313.442 0.085 20 0 DCADHO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)[C@@H]1C ZINC001161117537 772171558 /nfs/dbraw/zinc/17/15/58/772171558.db2.gz MUBWCEMEEIHKDH-MCIONIFRSA-N 1 3 323.437 0.661 20 0 DCADHO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)[C@@H]1C ZINC001161117537 772171561 /nfs/dbraw/zinc/17/15/61/772171561.db2.gz MUBWCEMEEIHKDH-MCIONIFRSA-N 1 3 323.437 0.661 20 0 DCADHO CN(CCN(C)C(=O)CNC1CC[NH2+]CC1)Cc1ccccc1 ZINC001161158367 772178181 /nfs/dbraw/zinc/17/81/81/772178181.db2.gz GHGWOPPNPSBGAL-UHFFFAOYSA-N 1 3 318.465 0.918 20 0 DCADHO C[C@H]1CN(C(=O)c2cccnc2N2CC[NH2+]CC2)C[C@H](C)N1 ZINC001161231744 772187132 /nfs/dbraw/zinc/18/71/32/772187132.db2.gz OULPMSXNSREBLH-STQMWFEESA-N 1 3 303.410 0.314 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001161251350 772191014 /nfs/dbraw/zinc/19/10/14/772191014.db2.gz PRFXWLZSVKRYQG-UHFFFAOYSA-N 1 3 300.447 0.337 20 0 DCADHO COc1cccc(OC2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)n1 ZINC001161313825 772202056 /nfs/dbraw/zinc/20/20/56/772202056.db2.gz XXYWVOIFVZTYBU-ZDUSSCGKSA-N 1 3 322.409 0.526 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC001161413907 772219469 /nfs/dbraw/zinc/21/94/69/772219469.db2.gz RWAYBHVEFXRGER-XUXIUFHCSA-N 1 3 304.394 0.676 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC1CCC1)CC2 ZINC001161476072 772230342 /nfs/dbraw/zinc/23/03/42/772230342.db2.gz APIBLTKPATVQCA-WOSRLPQWSA-N 1 3 309.410 0.258 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)CN2)CC12COC2 ZINC001161508374 772236972 /nfs/dbraw/zinc/23/69/72/772236972.db2.gz FBCOLCJCCAEBDD-LPEHRKFASA-N 1 3 307.316 0.103 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001188139296 772270681 /nfs/dbraw/zinc/27/06/81/772270681.db2.gz KWMPAYIKGWCIHZ-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346667 772290896 /nfs/dbraw/zinc/29/08/96/772290896.db2.gz UUJOYPVILLVGRC-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](F)CC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162871995 772427114 /nfs/dbraw/zinc/42/71/14/772427114.db2.gz CNPALZALLRVEPX-ILTLLKDXSA-N 1 3 313.417 0.694 20 0 DCADHO CN1CCOc2c1cnnc2N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163309567 772504067 /nfs/dbraw/zinc/50/40/67/772504067.db2.gz IISPSKMFOFCSJT-IAQYHMDHSA-N 1 3 305.382 0.628 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)C(=O)N(C)C ZINC001203713700 772590973 /nfs/dbraw/zinc/59/09/73/772590973.db2.gz APJXNKZKVYYWGK-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc(C(F)(F)F)nc1 ZINC001190384864 772622684 /nfs/dbraw/zinc/62/26/84/772622684.db2.gz ZRIWLOMKRHBTEN-UHFFFAOYSA-N 1 3 304.276 0.570 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccccc1-n1ccnn1 ZINC001190397505 772623333 /nfs/dbraw/zinc/62/33/33/772623333.db2.gz QLOFTXXKCLFMPO-UHFFFAOYSA-N 1 3 301.354 0.342 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001190443535 772625645 /nfs/dbraw/zinc/62/56/45/772625645.db2.gz IPZPKIISYRJNQN-ZIAGYGMSSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001190443535 772625647 /nfs/dbraw/zinc/62/56/47/772625647.db2.gz IPZPKIISYRJNQN-ZIAGYGMSSA-N 1 3 303.422 0.581 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645362 772656522 /nfs/dbraw/zinc/65/65/22/772656522.db2.gz SIPPCPJMDRJJQB-ZIAGYGMSSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001190645362 772656525 /nfs/dbraw/zinc/65/65/25/772656525.db2.gz SIPPCPJMDRJJQB-ZIAGYGMSSA-N 1 3 313.442 0.011 20 0 DCADHO Cc1n[nH]c(C)c1NC(=O)CNCCCNC(=O)CC[NH+](C)C ZINC001165788200 772762518 /nfs/dbraw/zinc/76/25/18/772762518.db2.gz ADSDRVVZDFHRMM-UHFFFAOYSA-N 1 3 324.429 0.013 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010926 772778791 /nfs/dbraw/zinc/77/87/91/772778791.db2.gz VYHHQPLXJFUUNI-OAHLLOKOSA-N 1 3 314.474 0.441 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001166626891 772830041 /nfs/dbraw/zinc/83/00/41/772830041.db2.gz LOACGIQUVWDASL-ZIAGYGMSSA-N 1 3 320.441 0.346 20 0 DCADHO CCn1nncc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633559 772832214 /nfs/dbraw/zinc/83/22/14/772832214.db2.gz HDQQDUDPQNWJTM-CYBMUJFWSA-N 1 3 308.430 0.378 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634838 772832762 /nfs/dbraw/zinc/83/27/62/772832762.db2.gz WAGWAHCOPJLWAQ-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634854 772832812 /nfs/dbraw/zinc/83/28/12/772832812.db2.gz WCMSEEHNEUTWAR-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)C(=O)NC1CC1 ZINC001166744248 772855605 /nfs/dbraw/zinc/85/56/05/772855605.db2.gz NKKHDDYEWMORRC-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001166866358 772872397 /nfs/dbraw/zinc/87/23/97/772872397.db2.gz MCESCNMLGKROET-OLZOCXBDSA-N 1 3 308.430 0.202 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001203437182 772906726 /nfs/dbraw/zinc/90/67/26/772906726.db2.gz DUHNLLJPVITKFX-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1 ZINC001192970400 772989710 /nfs/dbraw/zinc/98/97/10/772989710.db2.gz SXSOEHCJIFLXME-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC001192970400 772989712 /nfs/dbraw/zinc/98/97/12/772989712.db2.gz SXSOEHCJIFLXME-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001205562056 773001238 /nfs/dbraw/zinc/00/12/38/773001238.db2.gz OJQPXJFTBIMPID-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001206275564 773061619 /nfs/dbraw/zinc/06/16/19/773061619.db2.gz VDSJKKAGFGOCSY-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO COC[C@@H](O)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954740 773147811 /nfs/dbraw/zinc/14/78/11/773147811.db2.gz VFOARCBJTJJUJR-HNNXBMFYSA-N 1 3 315.458 0.162 20 0 DCADHO CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980202 773155402 /nfs/dbraw/zinc/15/54/02/773155402.db2.gz JWVRSGBSUUJZRK-VNQPRFMTSA-N 1 3 309.454 0.801 20 0 DCADHO COC(=O)CNC(=O)[C@@H]1CCCN1CCC1CC[NH+](C)CC1 ZINC001207486687 773217402 /nfs/dbraw/zinc/21/74/02/773217402.db2.gz BBFBBLNOXXLQCJ-AWEZNQCLSA-N 1 3 311.426 0.472 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001207688858 773271437 /nfs/dbraw/zinc/27/14/37/773271437.db2.gz SYWOKEBRUUOOHC-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001208070071 773393584 /nfs/dbraw/zinc/39/35/84/773393584.db2.gz CJPDZNNYRLGYCD-VHDGCEQUSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001208070071 773393591 /nfs/dbraw/zinc/39/35/91/773393591.db2.gz CJPDZNNYRLGYCD-VHDGCEQUSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1)C1CC1 ZINC001208334956 773435502 /nfs/dbraw/zinc/43/55/02/773435502.db2.gz OVHQIGSOZGMBMZ-HOCLYGCPSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001195701160 773465256 /nfs/dbraw/zinc/46/52/56/773465256.db2.gz KEWZFAGHIAXIHN-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCCCC1 ZINC001208749561 773524621 /nfs/dbraw/zinc/52/46/21/773524621.db2.gz SNLJOHQFIBRLOE-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208919991 773539264 /nfs/dbraw/zinc/53/92/64/773539264.db2.gz ZMFWCZUWNARMEQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209276673 773581102 /nfs/dbraw/zinc/58/11/02/773581102.db2.gz BDNQSZIVUQVCJO-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](NCC(=O)NC)C1)[NH+](CC)CC ZINC001209589294 773622773 /nfs/dbraw/zinc/62/27/73/773622773.db2.gz NGXHOPJZJVSKOT-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001209670343 773632809 /nfs/dbraw/zinc/63/28/09/773632809.db2.gz ZHYSECOSZOTFRI-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1)CC(C)(C)C ZINC001209690139 773635051 /nfs/dbraw/zinc/63/50/51/773635051.db2.gz OPKJXQIESODBHK-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001209838065 773652439 /nfs/dbraw/zinc/65/24/39/773652439.db2.gz WHUHCHLABXQUGZ-LLVKDONJSA-N 1 3 316.352 0.815 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC001210216886 773686278 /nfs/dbraw/zinc/68/62/78/773686278.db2.gz BIWNCWAVQSMNIX-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001210221322 773687603 /nfs/dbraw/zinc/68/76/03/773687603.db2.gz ZQIIMNGKKYMZAB-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001210788673 773739150 /nfs/dbraw/zinc/73/91/50/773739150.db2.gz HIPWRTHYWGBMQI-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001210812249 773742080 /nfs/dbraw/zinc/74/20/80/773742080.db2.gz VQUUVXNDUSLWQM-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001197536079 773759754 /nfs/dbraw/zinc/75/97/54/773759754.db2.gz IIHRBMJHJCNMLT-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001197536079 773759758 /nfs/dbraw/zinc/75/97/58/773759758.db2.gz IIHRBMJHJCNMLT-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001211256475 773786427 /nfs/dbraw/zinc/78/64/27/773786427.db2.gz HINYGQPLMSGVMP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001211376012 773799290 /nfs/dbraw/zinc/79/92/90/773799290.db2.gz FBNLUHIVPWBPDU-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C)N1CCCC1 ZINC001211376012 773799292 /nfs/dbraw/zinc/79/92/92/773799292.db2.gz FBNLUHIVPWBPDU-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C)N1CCCC1 ZINC001211376012 773799296 /nfs/dbraw/zinc/79/92/96/773799296.db2.gz FBNLUHIVPWBPDU-OAGGEKHMSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCOC[C@H]1CCCCO1 ZINC001152432593 773890334 /nfs/dbraw/zinc/89/03/34/773890334.db2.gz MDBNUFZOFZFLGC-OAHLLOKOSA-N 1 3 315.458 0.618 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)C1 ZINC001198655081 773957664 /nfs/dbraw/zinc/95/76/64/773957664.db2.gz ZQWLTUGDUDMKAJ-BFHYXJOUSA-N 1 3 301.406 0.239 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@H]2O)C1 ZINC001198655081 773957670 /nfs/dbraw/zinc/95/76/70/773957670.db2.gz ZQWLTUGDUDMKAJ-BFHYXJOUSA-N 1 3 301.406 0.239 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC001203924860 774018574 /nfs/dbraw/zinc/01/85/74/774018574.db2.gz GNPXGTYLBGYWPV-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214860885 774019727 /nfs/dbraw/zinc/01/97/27/774019727.db2.gz ANTUOYAWTDMPQV-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001214904871 774024574 /nfs/dbraw/zinc/02/45/74/774024574.db2.gz NOSMGPZXTGHNNJ-KFWWJZLASA-N 1 3 315.458 0.018 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001214996892 774031753 /nfs/dbraw/zinc/03/17/53/774031753.db2.gz DYHQPTSFTVNBBO-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215539898 774081478 /nfs/dbraw/zinc/08/14/78/774081478.db2.gz BXQUDHZUWYRJFK-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001216511406 774119997 /nfs/dbraw/zinc/11/99/97/774119997.db2.gz QVLKMVZCLSMMEO-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO [NH3+]CCOCCOCCOCCO[C@@H]1CNCc2ccccc21 ZINC001217940638 774207573 /nfs/dbraw/zinc/20/75/73/774207573.db2.gz IQEUWPSOJPKNMG-QGZVFWFLSA-N 1 3 324.421 0.856 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001218096497 774212203 /nfs/dbraw/zinc/21/22/03/774212203.db2.gz QZBSDIQOXVAOLT-YQQAZPJKSA-N 1 3 303.406 0.953 20 0 DCADHO c1cc(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)ccc1CN1CC[NH2+]CC1 ZINC001218127695 774212913 /nfs/dbraw/zinc/21/29/13/774212913.db2.gz AKTGSRDBHAWKBJ-RCCFBDPRSA-N 1 3 317.433 0.990 20 0 DCADHO c1cc(O[C@H]2CC[NH2+][C@H]3CCO[C@@H]32)n2nc3c(c2n1)CNCC3 ZINC001218161005 774214826 /nfs/dbraw/zinc/21/48/26/774214826.db2.gz ZFUPJLRVGXXKFX-YDHLFZDLSA-N 1 3 315.377 0.273 20 0 DCADHO Cc1noc2nc(OCCO[C@@H]3CC[NH2+]C3)c3c(c12)CCNC3 ZINC001218383945 774223354 /nfs/dbraw/zinc/22/33/54/774223354.db2.gz PSDJRZGGVNVZTI-LLVKDONJSA-N 1 3 318.377 0.934 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515985 774234452 /nfs/dbraw/zinc/23/44/52/774234452.db2.gz PQYBVXWOQBOUJF-VIFPVBQESA-N 1 3 306.374 0.182 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534749 774240070 /nfs/dbraw/zinc/24/00/70/774240070.db2.gz XZMQALLMFLDHDA-CBAPKCEASA-N 1 3 306.395 0.191 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218534749 774240074 /nfs/dbraw/zinc/24/00/74/774240074.db2.gz XZMQALLMFLDHDA-CBAPKCEASA-N 1 3 306.395 0.191 20 0 DCADHO Cc1sc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(C(N)=O)c1C ZINC001218549478 774243906 /nfs/dbraw/zinc/24/39/06/774243906.db2.gz XFVUKSHNXKEQAW-SECBINFHSA-N 1 3 308.407 0.211 20 0 DCADHO N[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)C1CC[NH2+]CC1 ZINC001218552121 774244681 /nfs/dbraw/zinc/24/46/81/774244681.db2.gz YLLAIEQYWGJXDI-OAHLLOKOSA-N 1 3 319.409 0.184 20 0 DCADHO Nc1cccc(-c2cccc(NC(=O)[C@H](N)CCC[NH3+])n2)n1 ZINC001218558752 774246936 /nfs/dbraw/zinc/24/69/36/774246936.db2.gz IKGMHPZQSOAJMI-SNVBAGLBSA-N 1 3 300.366 0.731 20 0 DCADHO O=C(Nc1cnc(Cl)nc1Cl)[C@H]1C[NH2+]CC12CNC2 ZINC001218579725 774254569 /nfs/dbraw/zinc/25/45/69/774254569.db2.gz LJCUOVLNBUTYOA-ZCFIWIBFSA-N 1 3 302.165 0.531 20 0 DCADHO N[C@H](C(=O)Nc1cnn(C2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218588188 774257267 /nfs/dbraw/zinc/25/72/67/774257267.db2.gz KKNRHSPBSYGHJG-AWEZNQCLSA-N 1 3 307.398 0.500 20 0 DCADHO N[C@@H](C(=O)Nc1cncc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001218593371 774258238 /nfs/dbraw/zinc/25/82/38/774258238.db2.gz UCLFHSCORAJAFD-SNVBAGLBSA-N 1 3 303.288 0.761 20 0 DCADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218640828 774270413 /nfs/dbraw/zinc/27/04/13/774270413.db2.gz TWCLRLLHKYCVTN-JTQLQIEISA-N 1 3 311.386 0.502 20 0 DCADHO Cc1cc(C)c2c(NC(=O)[C@@H](N)C3CC[NH2+]CC3)nn(C)c2n1 ZINC001218661819 774275485 /nfs/dbraw/zinc/27/54/85/774275485.db2.gz SHJZBPHBGIMZQC-ZDUSSCGKSA-N 1 3 316.409 0.851 20 0 DCADHO COC(=O)/C=C/c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)nc1 ZINC001218802590 774306287 /nfs/dbraw/zinc/30/62/87/774306287.db2.gz OWIRMRKOSGJYBL-OGOUPESXSA-N 1 3 316.361 0.015 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(N)ccc1OCCO ZINC001218919743 774327590 /nfs/dbraw/zinc/32/75/90/774327590.db2.gz RBQGEYWBEWFSKM-ZDUSSCGKSA-N 1 3 324.425 0.638 20 0 DCADHO CC(=O)c1cc2c(cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1)OCO2 ZINC001218934170 774331154 /nfs/dbraw/zinc/33/11/54/774331154.db2.gz NZULPKPAPRBKPM-HNNXBMFYSA-N 1 3 319.361 0.883 20 0 DCADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218938941 774331840 /nfs/dbraw/zinc/33/18/40/774331840.db2.gz YDEIWROWHZQWRC-QWRGUYRKSA-N 1 3 304.394 0.165 20 0 DCADHO NC(=S)c1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218969135 774337361 /nfs/dbraw/zinc/33/73/61/774337361.db2.gz ZTXDLSYPWKNFIR-IAQYHMDHSA-N 1 3 304.419 0.458 20 0 DCADHO [NH3+]C1(c2ccc(NC(=O)[C@@H]3COC4(CNC4)CN3)cc2)CCC1 ZINC001218972714 774337874 /nfs/dbraw/zinc/33/78/74/774337874.db2.gz QOUJYIHNKIKEGY-AWEZNQCLSA-N 1 3 316.405 0.293 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200849763 774416340 /nfs/dbraw/zinc/41/63/40/774416340.db2.gz ADNLOAGYGCXVSM-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO COC(=O)c1cc(C)c(C)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219402387 774479404 /nfs/dbraw/zinc/47/94/04/774479404.db2.gz KBPALHRZKCIJBU-CYBMUJFWSA-N 1 3 317.389 0.838 20 0 DCADHO Cn1cc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)cn1 ZINC001201335724 774494733 /nfs/dbraw/zinc/49/47/33/774494733.db2.gz QHEHTQFITXKKDL-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CCOCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201493372 774517377 /nfs/dbraw/zinc/51/73/77/774517377.db2.gz DONQAKFDPLTOJJ-OAHLLOKOSA-N 1 3 324.425 0.586 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201482406 774520750 /nfs/dbraw/zinc/52/07/50/774520750.db2.gz IDTIWPNPWZHOLY-HIFRSBDPSA-N 1 3 324.425 0.320 20 0 DCADHO O=C(NCCc1c(F)cccc1Cl)[C@@H]1C[NH2+]CC12CNC2 ZINC001219569202 774539982 /nfs/dbraw/zinc/53/99/82/774539982.db2.gz GVMOHNIJTXKLPE-NSHDSACASA-N 1 3 311.788 0.947 20 0 DCADHO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CNCc2ccnn2C1 ZINC001219608336 774554772 /nfs/dbraw/zinc/55/47/72/774554772.db2.gz VQADLTYCNUDLIP-CABZTGNLSA-N 1 3 317.315 0.013 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643449 774570106 /nfs/dbraw/zinc/57/01/06/774570106.db2.gz UTFQIALKOBDYCX-AOAYNFQDSA-N 1 3 321.465 0.846 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001219847451 774626362 /nfs/dbraw/zinc/62/63/62/774626362.db2.gz HIASLVPGGDNYTM-ZQDZILKHSA-N 1 3 307.438 0.792 20 0 DCADHO COc1cc(CNC2CCN(C(=O)CC[NH+](C)C)CC2)on1 ZINC001202330980 774638010 /nfs/dbraw/zinc/63/80/10/774638010.db2.gz MVTOQYXBXFPHHO-UHFFFAOYSA-N 1 3 310.398 0.716 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353677 774640406 /nfs/dbraw/zinc/64/04/06/774640406.db2.gz QKPLUGUPDLVSSU-TZMCWYRMSA-N 1 3 312.458 0.288 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001219980202 774661568 /nfs/dbraw/zinc/66/15/68/774661568.db2.gz DFUVILJCUAUTNI-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001219980202 774661570 /nfs/dbraw/zinc/66/15/70/774661570.db2.gz DFUVILJCUAUTNI-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO O=C(NCc1cccc(-n2cccn2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001220010862 774668989 /nfs/dbraw/zinc/66/89/89/774668989.db2.gz LBSHNRMTEYOKMT-OAHLLOKOSA-N 1 3 311.389 0.298 20 0 DCADHO CCCCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220050035 774681743 /nfs/dbraw/zinc/68/17/43/774681743.db2.gz YQULPYODVHUTDZ-STQMWFEESA-N 1 3 311.426 0.709 20 0 DCADHO CCCCOC(=O)[C@H](C)NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220050035 774681745 /nfs/dbraw/zinc/68/17/45/774681745.db2.gz YQULPYODVHUTDZ-STQMWFEESA-N 1 3 311.426 0.709 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC001220163048 774715619 /nfs/dbraw/zinc/71/56/19/774715619.db2.gz OKFTVODBRHPWLT-GRDNDAEWSA-N 1 3 322.453 0.365 20 0 DCADHO NC1(C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)Cc2ccccc2C1 ZINC001220317415 774769781 /nfs/dbraw/zinc/76/97/81/774769781.db2.gz YUFUEIKKIGNXIW-RDJZCZTQSA-N 1 3 315.417 0.510 20 0 DCADHO O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1ccc2c(n1)CCNC2 ZINC001220324129 774772030 /nfs/dbraw/zinc/77/20/30/774772030.db2.gz YLRMQXOKFLNOEX-CXAGYDPISA-N 1 3 316.405 0.368 20 0 DCADHO O=C(Nc1cccn(CC2CC2)c1=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220341281 774778553 /nfs/dbraw/zinc/77/85/53/774778553.db2.gz WCOVFVZFSCXUGF-LBPRGKRZSA-N 1 3 302.378 0.006 20 0 DCADHO C[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220352789 774780417 /nfs/dbraw/zinc/78/04/17/774780417.db2.gz FGICBYZEHHJGEF-YUELXQCFSA-N 1 3 319.405 0.909 20 0 DCADHO CCOC(=O)c1cccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001220403603 774797934 /nfs/dbraw/zinc/79/79/34/774797934.db2.gz WSHDFLUZOFIOMO-CQSZACIVSA-N 1 3 320.393 0.201 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220406554 774798623 /nfs/dbraw/zinc/79/86/23/774798623.db2.gz SSBUYHZVWMMGAI-AGIUHOORSA-N 1 3 309.410 0.319 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220406554 774798626 /nfs/dbraw/zinc/79/86/26/774798626.db2.gz SSBUYHZVWMMGAI-AGIUHOORSA-N 1 3 309.410 0.319 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220406556 774799011 /nfs/dbraw/zinc/79/90/11/774799011.db2.gz SSBUYHZVWMMGAI-JHJVBQTASA-N 1 3 309.410 0.319 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220406556 774799014 /nfs/dbraw/zinc/79/90/14/774799014.db2.gz SSBUYHZVWMMGAI-JHJVBQTASA-N 1 3 309.410 0.319 20 0 DCADHO COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)[C@H](N)CCC[NH3+] ZINC001220408440 774800654 /nfs/dbraw/zinc/80/06/54/774800654.db2.gz DUWJBWTYZKCJFL-ZWNOBZJWSA-N 1 3 320.393 0.303 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220499732 774826626 /nfs/dbraw/zinc/82/66/26/774826626.db2.gz BYKVNKDUNRFEQW-UBHSHLNASA-N 1 3 304.394 0.141 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220504361 774828550 /nfs/dbraw/zinc/82/85/50/774828550.db2.gz ZDFYTSMPVJWSQW-LNSITVRQSA-N 1 3 306.410 0.292 20 0 DCADHO COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(F)(F)F ZINC001220587323 774853591 /nfs/dbraw/zinc/85/35/91/774853591.db2.gz AEKXUJXGSXDBOK-RKDXNWHRSA-N 1 3 323.315 0.081 20 0 DCADHO COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C(F)(F)F ZINC001220587323 774853597 /nfs/dbraw/zinc/85/35/97/774853597.db2.gz AEKXUJXGSXDBOK-RKDXNWHRSA-N 1 3 323.315 0.081 20 0 DCADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220661131 774879684 /nfs/dbraw/zinc/87/96/84/774879684.db2.gz UAFCLRKKIYOSLE-RDBSUJKOSA-N 1 3 313.442 0.894 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114488345 774897667 /nfs/dbraw/zinc/89/76/67/774897667.db2.gz LBCKJKZIKFZAGK-RFQIPJPRSA-N 1 3 322.453 0.042 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114488345 774897675 /nfs/dbraw/zinc/89/76/75/774897675.db2.gz LBCKJKZIKFZAGK-RFQIPJPRSA-N 1 3 322.453 0.042 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755819 774908837 /nfs/dbraw/zinc/90/88/37/774908837.db2.gz XAUZCRQECPVSFU-XHSDSOJGSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755819 774908840 /nfs/dbraw/zinc/90/88/40/774908840.db2.gz XAUZCRQECPVSFU-XHSDSOJGSA-N 1 3 311.470 0.926 20 0 DCADHO Cc1noc2ccc(CNC(=O)[C@@H](N)CSCC[NH3+])cc12 ZINC001220848717 774934304 /nfs/dbraw/zinc/93/43/04/774934304.db2.gz GREPEOPBBOOCSU-LBPRGKRZSA-N 1 3 308.407 0.772 20 0 DCADHO COC(=O)C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ccccn1 ZINC001220900278 774947374 /nfs/dbraw/zinc/94/73/74/774947374.db2.gz GBIPDPRYCRBTBO-DZGCQCFKSA-N 1 3 320.393 0.129 20 0 DCADHO N[C@@H](C(=O)N[C@@H]1CCN(c2ccccn2)C1)C1CC[NH2+]CC1 ZINC001220933822 774956463 /nfs/dbraw/zinc/95/64/63/774956463.db2.gz BBPFTFYYFDZNIJ-UKRRQHHQSA-N 1 3 303.410 0.103 20 0 DCADHO O=C(NCc1cn(CC2CC2)cn1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221023731 774981383 /nfs/dbraw/zinc/98/13/83/774981383.db2.gz RUGCCUXIXQMBFV-OAHLLOKOSA-N 1 3 317.437 0.784 20 0 DCADHO O=C(NCc1cn(CC2CC2)cn1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221023731 774981386 /nfs/dbraw/zinc/98/13/86/774981386.db2.gz RUGCCUXIXQMBFV-OAHLLOKOSA-N 1 3 317.437 0.784 20 0 DCADHO N[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC001221062866 774987375 /nfs/dbraw/zinc/98/73/75/774987375.db2.gz CXCWFWNLFUHYQO-FUHWJXTLSA-N 1 3 316.449 0.848 20 0 DCADHO O=C(NCCc1ccc(CO)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221190357 775022113 /nfs/dbraw/zinc/02/21/13/775022113.db2.gz KJSWSJCDNWBQFR-NVXWUHKLSA-N 1 3 303.406 0.037 20 0 DCADHO N[C@H]1CCCCN(CC(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)C1=O ZINC001221247997 775042696 /nfs/dbraw/zinc/04/26/96/775042696.db2.gz FJBQPZQGEMJCSM-WMLDXEAASA-N 1 3 322.453 0.365 20 0 DCADHO NC(=[NH2+])NCCCCC(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221392779 775083553 /nfs/dbraw/zinc/08/35/53/775083553.db2.gz MFDDXRCSQQVAKN-UHFFFAOYSA-N 1 3 320.441 0.208 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](N)Cc2cncn2C)[C@@H](C)C1 ZINC001221406323 775090850 /nfs/dbraw/zinc/09/08/50/775090850.db2.gz FWAMBIJGSNYUQW-QEJZJMRPSA-N 1 3 307.442 0.525 20 0 DCADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](N)Cc2cncn2C)[C@@H](C)C1 ZINC001221406323 775090857 /nfs/dbraw/zinc/09/08/57/775090857.db2.gz FWAMBIJGSNYUQW-QEJZJMRPSA-N 1 3 307.442 0.525 20 0 DCADHO CNC(=O)CN[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222077050 775264539 /nfs/dbraw/zinc/26/45/39/775264539.db2.gz VVVHLCDFKVZCHT-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC001225087942 775641798 /nfs/dbraw/zinc/64/17/98/775641798.db2.gz QUFNBAKXJSGWBO-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC001225087942 775641806 /nfs/dbraw/zinc/64/18/06/775641806.db2.gz QUFNBAKXJSGWBO-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC1CC[NH+](CCn2cncn2)CC1 ZINC001225251770 775658283 /nfs/dbraw/zinc/65/82/83/775658283.db2.gz IPGRKLLWZMLHHV-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001225578705 775696420 /nfs/dbraw/zinc/69/64/20/775696420.db2.gz ZVSPYKKYXDRCFM-UHFFFAOYSA-N 1 3 315.458 0.164 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228239048 776059608 /nfs/dbraw/zinc/05/96/08/776059608.db2.gz NPIYOKMAWUNKRM-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)n[nH]1 ZINC001228261917 776060498 /nfs/dbraw/zinc/06/04/98/776060498.db2.gz OYYKKSUAIQGCBT-ZIAGYGMSSA-N 1 3 322.457 0.972 20 0 DCADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001230611648 776353179 /nfs/dbraw/zinc/35/31/79/776353179.db2.gz WXZIZXSQVNCPEU-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001230611648 776353191 /nfs/dbraw/zinc/35/31/91/776353191.db2.gz WXZIZXSQVNCPEU-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO O=C(N1CC[C@H]2CCN(CCO)[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001042132083 777723603 /nfs/dbraw/zinc/72/36/03/777723603.db2.gz CYSUSTGHWIKUDE-HUUCEWRRSA-N 1 3 307.438 0.530 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001278032807 945108188 /nfs/dbraw/zinc/10/81/88/945108188.db2.gz XBZFLKSPDPZOJA-WBVHZDCISA-N 1 3 310.486 0.990 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001278032807 945108191 /nfs/dbraw/zinc/10/81/91/945108191.db2.gz XBZFLKSPDPZOJA-WBVHZDCISA-N 1 3 310.486 0.990 20 0 DCADHO CN1CCC[C@@H](C[NH2+]C23CC(C(=O)NCc4cnc[nH]4)(C2)C3)C1 ZINC001278146194 945153888 /nfs/dbraw/zinc/15/38/88/945153888.db2.gz DWTACCUAWVZHOJ-IGEOTXOUSA-N 1 3 317.437 0.880 20 0 DCADHO CCN1CC2(C1)CCOC[C@@H]2C(=O)N1CCC([NH+](C)C)CC1 ZINC001278161013 945160344 /nfs/dbraw/zinc/16/03/44/945160344.db2.gz SWZYRPFMSUZCOA-OAHLLOKOSA-N 1 3 309.454 0.897 20 0 DCADHO C[NH+](C)CCNC(=O)[C@@H]1CC12CCN(Cc1cnc[nH]1)CC2 ZINC001273024014 945200013 /nfs/dbraw/zinc/20/00/13/945200013.db2.gz UAKRULLSZPHIPX-AWEZNQCLSA-N 1 3 305.426 0.690 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273024639 945203419 /nfs/dbraw/zinc/20/34/19/945203419.db2.gz VUDKVZIADQDCJJ-HZPDHXFCSA-N 1 3 319.453 0.855 20 0 DCADHO CC(C)=CCN1C(=O)COCC12CN(CC1CC[NH2+]CC1)C2 ZINC001273031307 945209123 /nfs/dbraw/zinc/20/91/23/945209123.db2.gz VCAYTWAOMKPNDH-UHFFFAOYSA-N 1 3 307.438 0.865 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001266565540 939165921 /nfs/dbraw/zinc/16/59/21/939165921.db2.gz BXBSLZIUJCVFRH-STQMWFEESA-N 1 3 317.380 0.697 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001417280169 939197146 /nfs/dbraw/zinc/19/71/46/939197146.db2.gz NFIFJXXHNFYHNQ-YUELXQCFSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001417280169 939197152 /nfs/dbraw/zinc/19/71/52/939197152.db2.gz NFIFJXXHNFYHNQ-YUELXQCFSA-N 1 3 324.469 0.336 20 0 DCADHO Cc1nc(CNCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001266702325 939214857 /nfs/dbraw/zinc/21/48/57/939214857.db2.gz XPXCHUFBYVRYLL-ZDUSSCGKSA-N 1 3 306.414 0.003 20 0 DCADHO CC[NH+]1CCC(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001461959978 1013047585 /nfs/dbraw/zinc/04/75/85/1013047585.db2.gz OGYFGKJWXMPSEK-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001267113336 939348139 /nfs/dbraw/zinc/34/81/39/939348139.db2.gz IRHANUJINOOTCJ-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001267113336 939348142 /nfs/dbraw/zinc/34/81/42/939348142.db2.gz IRHANUJINOOTCJ-CABCVRRESA-N 1 3 315.458 0.258 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109943 939564868 /nfs/dbraw/zinc/56/48/68/939564868.db2.gz WSILASJBIPNADP-AWEZNQCLSA-N 1 3 307.442 0.618 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001408689321 939575907 /nfs/dbraw/zinc/57/59/07/939575907.db2.gz IVRLOGMTOBEVPW-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001408689321 939575908 /nfs/dbraw/zinc/57/59/08/939575908.db2.gz IVRLOGMTOBEVPW-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001481251789 939674034 /nfs/dbraw/zinc/67/40/34/939674034.db2.gz FKPCKRJHKFNYAM-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001481251789 939674035 /nfs/dbraw/zinc/67/40/35/939674035.db2.gz FKPCKRJHKFNYAM-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1)N(C)C ZINC001267910489 939703535 /nfs/dbraw/zinc/70/35/35/939703535.db2.gz JYFREKLZSHCALO-HNNXBMFYSA-N 1 3 312.458 0.276 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cn1 ZINC001481280425 939705915 /nfs/dbraw/zinc/70/59/15/939705915.db2.gz QPDWUBQXXLKCKP-CYBMUJFWSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1ncc(CNCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cn1 ZINC001481280425 939705917 /nfs/dbraw/zinc/70/59/17/939705917.db2.gz QPDWUBQXXLKCKP-CYBMUJFWSA-N 1 3 305.426 0.675 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC1CC1 ZINC001481319327 939745230 /nfs/dbraw/zinc/74/52/30/939745230.db2.gz AJJIBAIZIKVKGE-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001481319435 939746496 /nfs/dbraw/zinc/74/64/96/939746496.db2.gz DSGGADXUYQERQF-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481339111 939753830 /nfs/dbraw/zinc/75/38/30/939753830.db2.gz AOSMTACRLNZSPA-CYBMUJFWSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273122915 945277251 /nfs/dbraw/zinc/27/72/51/945277251.db2.gz JTKLUOVHJJFCNZ-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273122915 945277261 /nfs/dbraw/zinc/27/72/61/945277261.db2.gz JTKLUOVHJJFCNZ-NEPJUHHUSA-N 1 3 311.455 0.864 20 0 DCADHO CC(C)[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCCN2C)CC1 ZINC001481469040 939883414 /nfs/dbraw/zinc/88/34/14/939883414.db2.gz JAXXPMQTCIWRCN-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CCCC[NH+](C)C ZINC001268096124 939946180 /nfs/dbraw/zinc/94/61/80/939946180.db2.gz YUZQZXMVBQDOKI-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CC[NH2+]CCc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001268368951 940083092 /nfs/dbraw/zinc/08/30/92/940083092.db2.gz OBRNECRVKDNTLM-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)CN(C)CC(C)(C)C ZINC001268405168 940106678 /nfs/dbraw/zinc/10/66/78/940106678.db2.gz QUYNACUBQVDJIQ-CYBMUJFWSA-N 1 3 324.473 0.777 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)N(C)C ZINC001481826090 940152166 /nfs/dbraw/zinc/15/21/66/940152166.db2.gz PVRJHAGYUJRFQA-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268490574 940187657 /nfs/dbraw/zinc/18/76/57/940187657.db2.gz CKKJBZWYMNRMLX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268490574 940187659 /nfs/dbraw/zinc/18/76/59/940187659.db2.gz CKKJBZWYMNRMLX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1CCNCC1(F)F ZINC001245990589 945306743 /nfs/dbraw/zinc/30/67/43/945306743.db2.gz ASKKARSOCFWSEO-QLFBSQMISA-N 1 3 313.392 0.752 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)ncn1)N(C)C ZINC001482114150 940260384 /nfs/dbraw/zinc/26/03/84/940260384.db2.gz ZHIGXTPELYFKQR-IUODEOHRSA-N 1 3 307.442 0.967 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268597186 940289537 /nfs/dbraw/zinc/28/95/37/940289537.db2.gz QTDKDHRFVWGYBV-BEWKBBBFSA-N 1 3 324.469 0.646 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268597186 940289539 /nfs/dbraw/zinc/28/95/39/940289539.db2.gz QTDKDHRFVWGYBV-BEWKBBBFSA-N 1 3 324.469 0.646 20 0 DCADHO Nc1ncc(CC[NH2+]C[C@@H](O)[C@@H](N)Cc2ccccc2)s1 ZINC001246000955 945312196 /nfs/dbraw/zinc/31/21/96/945312196.db2.gz FMGVLSUMHLGRGJ-UONOGXRCSA-N 1 3 306.435 0.788 20 0 DCADHO Nc1ncc(CCNC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)s1 ZINC001246000955 945312204 /nfs/dbraw/zinc/31/22/04/945312204.db2.gz FMGVLSUMHLGRGJ-UONOGXRCSA-N 1 3 306.435 0.788 20 0 DCADHO COc1cccc2c1C[C@@H]([NH2+]C[C@]1(O)CCNC[C@@H]1F)CO2 ZINC001246090031 945336352 /nfs/dbraw/zinc/33/63/52/945336352.db2.gz VEKLYOJQELZWAG-XFBWCDHKSA-N 1 3 310.369 0.651 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCOCC(F)F)C1 ZINC001284750889 940811183 /nfs/dbraw/zinc/81/11/83/940811183.db2.gz LQTKJJQZWCRSTD-WXRRBKDZSA-N 1 3 319.396 0.941 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CN1 ZINC001246151648 945350706 /nfs/dbraw/zinc/35/07/06/945350706.db2.gz JOSGCVVSCQCXNF-WFGGJUAMSA-N 1 3 311.426 0.169 20 0 DCADHO C[C@H](C[NH2+]CCOCC(F)F)N(C)C(=O)[C@H]1CCCN1C ZINC001482264458 940833594 /nfs/dbraw/zinc/83/35/94/940833594.db2.gz ALTWSRLPUXIXDI-VXGBXAGGSA-N 1 3 307.385 0.799 20 0 DCADHO CN(CC[NH2+][C@H]1CCN(C(C)(C)C)C1=O)C(=O)[C@H]1CCCN1C ZINC001493501682 941013332 /nfs/dbraw/zinc/01/33/32/941013332.db2.gz WOHHCTRDVVRLES-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482397662 941209712 /nfs/dbraw/zinc/20/97/12/941209712.db2.gz CKSHMUKTNDQOCL-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482397662 941209714 /nfs/dbraw/zinc/20/97/14/941209714.db2.gz CKSHMUKTNDQOCL-HIFRSBDPSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482397664 941209765 /nfs/dbraw/zinc/20/97/65/941209765.db2.gz CKSHMUKTNDQOCL-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482397664 941209767 /nfs/dbraw/zinc/20/97/67/941209767.db2.gz CKSHMUKTNDQOCL-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)n1 ZINC001271119304 941267854 /nfs/dbraw/zinc/26/78/54/941267854.db2.gz BPSGUYBULSMJPZ-CQSZACIVSA-N 1 3 318.425 0.902 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001409063217 941303183 /nfs/dbraw/zinc/30/31/83/941303183.db2.gz SZBURJSEDACYMT-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001409103278 941523004 /nfs/dbraw/zinc/52/30/04/941523004.db2.gz AJCPNRYOYVWSES-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCCF)CCOCC2)C1 ZINC001423731825 941561870 /nfs/dbraw/zinc/56/18/70/941561870.db2.gz YAQCDXPHGLJLAK-CYBMUJFWSA-N 1 3 301.406 0.553 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCCF)CCOCC2)C1 ZINC001423731825 941561873 /nfs/dbraw/zinc/56/18/73/941561873.db2.gz YAQCDXPHGLJLAK-CYBMUJFWSA-N 1 3 301.406 0.553 20 0 DCADHO Cn1cncc1CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001482660914 941613022 /nfs/dbraw/zinc/61/30/22/941613022.db2.gz AXKMBCUHQVOXSZ-GDBMZVCRSA-N 1 3 319.453 0.795 20 0 DCADHO CCN1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C)C1=O ZINC001482901277 941702154 /nfs/dbraw/zinc/70/21/54/941702154.db2.gz JPFPUOGCEGETDP-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950228 941726640 /nfs/dbraw/zinc/72/66/40/941726640.db2.gz KAPYFBAWAPICLY-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482950228 941726643 /nfs/dbraw/zinc/72/66/43/941726643.db2.gz KAPYFBAWAPICLY-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483007881 941773167 /nfs/dbraw/zinc/77/31/67/941773167.db2.gz FOZUHUNIOUJLGG-XQIWKARSSA-N 1 3 324.469 0.503 20 0 DCADHO CCCNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483007881 941773169 /nfs/dbraw/zinc/77/31/69/941773169.db2.gz FOZUHUNIOUJLGG-XQIWKARSSA-N 1 3 324.469 0.503 20 0 DCADHO C[NH+]1CCC(CC(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC1 ZINC001483067660 941824315 /nfs/dbraw/zinc/82/43/15/941824315.db2.gz ARKUCUQCTVENRR-XYBNCVKDSA-N 1 3 322.453 0.259 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001483098513 941843184 /nfs/dbraw/zinc/84/31/84/941843184.db2.gz RHISTHOGZFDWTQ-CTXXGXLOSA-N 1 3 310.442 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001483139082 941904598 /nfs/dbraw/zinc/90/45/98/941904598.db2.gz YDPYLULLLJBQQJ-RDBSUJKOSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001483197766 941931521 /nfs/dbraw/zinc/93/15/21/941931521.db2.gz QFKNMUJINKABBI-OLZOCXBDSA-N 1 3 308.430 0.200 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001483228272 941950931 /nfs/dbraw/zinc/95/09/31/941950931.db2.gz KXNLSAHAEAQLAP-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001483228272 941950935 /nfs/dbraw/zinc/95/09/35/941950935.db2.gz KXNLSAHAEAQLAP-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409402401 941983094 /nfs/dbraw/zinc/98/30/94/941983094.db2.gz MIGNIPWRHBGVJO-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001483259876 942215280 /nfs/dbraw/zinc/21/52/80/942215280.db2.gz RUAJFQQDUXSWJM-MNXVOIDGSA-N 1 3 322.457 0.999 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001483259876 942215282 /nfs/dbraw/zinc/21/52/82/942215282.db2.gz RUAJFQQDUXSWJM-MNXVOIDGSA-N 1 3 322.457 0.999 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066263 942424890 /nfs/dbraw/zinc/42/48/90/942424890.db2.gz KLVDYWHGEDPJRY-HNNXBMFYSA-N 1 3 307.442 0.807 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066263 942424893 /nfs/dbraw/zinc/42/48/93/942424893.db2.gz KLVDYWHGEDPJRY-HNNXBMFYSA-N 1 3 307.442 0.807 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001127066367 942424922 /nfs/dbraw/zinc/42/49/22/942424922.db2.gz MKLBIYQVLRRYJX-AWEZNQCLSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001127066367 942424923 /nfs/dbraw/zinc/42/49/23/942424923.db2.gz MKLBIYQVLRRYJX-AWEZNQCLSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CCc2ccccc2)CCC1 ZINC001272435211 942753884 /nfs/dbraw/zinc/75/38/84/942753884.db2.gz PPXWPDPISCYQFS-INIZCTEOSA-N 1 3 319.449 0.780 20 0 DCADHO Cc1ncc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)cn1 ZINC001272558336 942824957 /nfs/dbraw/zinc/82/49/57/942824957.db2.gz GPHBPVVQLJEQRS-KRWDZBQOSA-N 1 3 317.437 0.771 20 0 DCADHO Cc1cncc(CN2CC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)n1 ZINC001272562177 942828825 /nfs/dbraw/zinc/82/88/25/942828825.db2.gz ARCSZVZHVOKTFD-KRWDZBQOSA-N 1 3 317.437 0.771 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001483959324 943047277 /nfs/dbraw/zinc/04/72/77/943047277.db2.gz QOLDZUQNCDCIHQ-CQSZACIVSA-N 1 3 308.430 0.199 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001484447432 943403332 /nfs/dbraw/zinc/40/33/32/943403332.db2.gz IXTDINDYCCKMTH-HOCLYGCPSA-N 1 3 315.458 0.042 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001484447432 943403335 /nfs/dbraw/zinc/40/33/35/943403335.db2.gz IXTDINDYCCKMTH-HOCLYGCPSA-N 1 3 315.458 0.042 20 0 DCADHO CN(C)C1(C(=O)NCC2([NH2+]CC(=O)N3CCC3)CCC2)CCC1 ZINC001484637379 943491370 /nfs/dbraw/zinc/49/13/70/943491370.db2.gz AWJIHXFKELOWDB-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NCC2(NCCF)CCC2)cn1 ZINC001484654312 943495842 /nfs/dbraw/zinc/49/58/42/943495842.db2.gz GDAAGSZBDNIWJZ-UHFFFAOYSA-N 1 3 311.405 0.656 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001484677556 943508857 /nfs/dbraw/zinc/50/88/57/943508857.db2.gz NTWLYQOACUGCGB-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]C[C@@H](C)OC)C1 ZINC001484857754 943603127 /nfs/dbraw/zinc/60/31/27/943603127.db2.gz YCDQDMGVLYUEPW-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO COC[C@H](C)[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCOCC1 ZINC001484871294 943607600 /nfs/dbraw/zinc/60/76/00/943607600.db2.gz XLNIIKXLSBZMHY-LBPRGKRZSA-N 1 3 324.425 0.551 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490922613 943681680 /nfs/dbraw/zinc/68/16/80/943681680.db2.gz RPXLLFQQTQLUBI-JOCQHMNTSA-N 1 3 320.441 0.377 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001490949627 943686569 /nfs/dbraw/zinc/68/65/69/943686569.db2.gz MXBSMIJFIFZJFH-JOCQHMNTSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1)C1CCC1 ZINC001491029212 943715904 /nfs/dbraw/zinc/71/59/04/943715904.db2.gz GMGWNAZHXVHHMS-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NCC(=O)N1CCC1 ZINC001485198182 943742659 /nfs/dbraw/zinc/74/26/59/943742659.db2.gz GWYDUMRJLIHUPZ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001491303537 943909513 /nfs/dbraw/zinc/90/95/13/943909513.db2.gz UJTUFMNUENBBJI-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001491322372 943917000 /nfs/dbraw/zinc/91/70/00/943917000.db2.gz KUTQKFBGWWOMMB-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001491322372 943917007 /nfs/dbraw/zinc/91/70/07/943917007.db2.gz KUTQKFBGWWOMMB-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001491455586 944011585 /nfs/dbraw/zinc/01/15/85/944011585.db2.gz RRAJMJVVIJHDID-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001491455586 944011590 /nfs/dbraw/zinc/01/15/90/944011590.db2.gz RRAJMJVVIJHDID-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCn1cncn1 ZINC001491455749 944012473 /nfs/dbraw/zinc/01/24/73/944012473.db2.gz JKEZCWIUPKHLHM-CQSZACIVSA-N 1 3 322.457 0.637 20 0 DCADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)C(=O)NC1CC1 ZINC001491480951 944040408 /nfs/dbraw/zinc/04/04/08/944040408.db2.gz OZXVRSXSHKNBQN-NWDGAFQWSA-N 1 3 310.442 0.232 20 0 DCADHO CN1CCN(C[C@H]2CCC[N@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001276497481 944193289 /nfs/dbraw/zinc/19/32/89/944193289.db2.gz XBLLKHNERXEAIO-DOTOQJQBSA-N 1 3 308.470 0.615 20 0 DCADHO CN1CCN(C[C@H]2CCC[N@@H+](C)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001276497481 944193295 /nfs/dbraw/zinc/19/32/95/944193295.db2.gz XBLLKHNERXEAIO-DOTOQJQBSA-N 1 3 308.470 0.615 20 0 DCADHO Cc1n[nH]cc1CN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001272755100 944209741 /nfs/dbraw/zinc/20/97/41/944209741.db2.gz SSVFEVBAKHZHSL-HNNXBMFYSA-N 1 3 319.453 0.998 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001485836441 944309282 /nfs/dbraw/zinc/30/92/82/944309282.db2.gz BOZZGYNTVKCTJQ-HOCLYGCPSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(=O)N(C)C ZINC001485894964 944388389 /nfs/dbraw/zinc/38/83/89/944388389.db2.gz IKQBBVITFRRKPQ-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCNC1=O ZINC001485922498 944405639 /nfs/dbraw/zinc/40/56/39/944405639.db2.gz MFVVXOZIWMCBJZ-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO O=C(NC[C@@H](CO)NCc1ccccc1)C12CCC[NH+]1CCC2 ZINC001486010886 944497591 /nfs/dbraw/zinc/49/75/91/944497591.db2.gz HHNOTQIZTDSTQB-INIZCTEOSA-N 1 3 317.433 0.882 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001486117459 944575354 /nfs/dbraw/zinc/57/53/54/944575354.db2.gz ZTVSKKAWPIEFJC-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001486131353 944585767 /nfs/dbraw/zinc/58/57/67/944585767.db2.gz UXYNRCNSKZATHF-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@H](C(=O)NCCCN(C)[C@H]1CCCNC1=O)[NH+](C)C ZINC001316846048 944596500 /nfs/dbraw/zinc/59/65/00/944596500.db2.gz ANCPBBQIIKPHDB-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001316915297 944644396 /nfs/dbraw/zinc/64/43/96/944644396.db2.gz WEAVKTHASBTXTK-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001316915297 944644397 /nfs/dbraw/zinc/64/43/97/944644397.db2.gz WEAVKTHASBTXTK-ZIAGYGMSSA-N 1 3 310.442 0.315 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC001486233924 944685060 /nfs/dbraw/zinc/68/50/60/944685060.db2.gz FJGVEQHHOPAQKX-OCCSQVGLSA-N 1 3 324.469 0.432 20 0 DCADHO COC(=O)[C@@H](C)CN1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277512489 944851867 /nfs/dbraw/zinc/85/18/67/944851867.db2.gz QTGVRNGVLVGSEA-JSGCOSHPSA-N 1 3 323.437 0.328 20 0 DCADHO CN(C)C(=O)CC[NH+]1CC2(C1)CCN(CCn1ccnc1)C2 ZINC001277635882 944920961 /nfs/dbraw/zinc/92/09/61/944920961.db2.gz DKNAWGYEYGDOCC-UHFFFAOYSA-N 1 3 305.426 0.369 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001277637632 944923810 /nfs/dbraw/zinc/92/38/10/944923810.db2.gz YPNJJCWAVSPPCT-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO O=C(C1=NO[C@@H]2CN(CC3CC[NH2+]CC3)C[C@H]12)N1CCCCO1 ZINC001277829203 944998179 /nfs/dbraw/zinc/99/81/79/944998179.db2.gz BLRHTUSOPFMOMU-UONOGXRCSA-N 1 3 322.409 0.227 20 0 DCADHO COC(=O)CC1(N[C@H]2CCN[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246362977 945394693 /nfs/dbraw/zinc/39/46/93/945394693.db2.gz JOCTZEMERQXJMR-QWRGUYRKSA-N 1 3 323.359 0.944 20 0 DCADHO O=S1(=O)CCC(Cc2cccnc2)([NH2+]C2CCNCC2)CC1 ZINC001246392176 945402624 /nfs/dbraw/zinc/40/26/24/945402624.db2.gz QUUHQTAYXJKKMD-UHFFFAOYSA-N 1 3 323.462 0.913 20 0 DCADHO C[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)C[NH2+]1 ZINC001246462942 945414867 /nfs/dbraw/zinc/41/48/67/945414867.db2.gz JLCVYPBPNNDUMX-PJIALRRASA-N 1 3 301.456 0.672 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486946034 945424110 /nfs/dbraw/zinc/42/41/10/945424110.db2.gz LVXVGWLRGQIFRP-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](N)[C@H](F)CC2)C[C@@H]1C(=O)OC ZINC001246566247 945433519 /nfs/dbraw/zinc/43/35/19/945433519.db2.gz FIUWGPJHEJAMHN-UJPOAAIJSA-N 1 3 316.373 0.488 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](N)[C@H](F)CC2)C[C@@H]1C(=O)OC ZINC001246566247 945433521 /nfs/dbraw/zinc/43/35/21/945433521.db2.gz FIUWGPJHEJAMHN-UJPOAAIJSA-N 1 3 316.373 0.488 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)C(=O)Cc1c[nH]cn1 ZINC001486978176 945455805 /nfs/dbraw/zinc/45/58/05/945455805.db2.gz YTLSBANRRGMEPB-GFCCVEGCSA-N 1 3 309.414 0.257 20 0 DCADHO O=C([C@H]1C[N@@H+](C2CCNCC2)CC12CCOCC2)N1CC=CC1 ZINC001246697375 945462488 /nfs/dbraw/zinc/46/24/88/945462488.db2.gz UQZRUSLAIKVVGB-MRXNPFEDSA-N 1 3 319.449 0.865 20 0 DCADHO O=C([C@H]1C[N@H+](C2CCNCC2)CC12CCOCC2)N1CC=CC1 ZINC001246697375 945462492 /nfs/dbraw/zinc/46/24/92/945462492.db2.gz UQZRUSLAIKVVGB-MRXNPFEDSA-N 1 3 319.449 0.865 20 0 DCADHO c1ncc(O[C@@H]2C[C@@H]3CN([C@H]4CCC[NH2+]C4)CCN3C2)cn1 ZINC001246709453 945467553 /nfs/dbraw/zinc/46/75/53/945467553.db2.gz OGPJPQOGCBELFB-RRFJBIMHSA-N 1 3 303.410 0.366 20 0 DCADHO C[C@@H]1CC[C@@H](N2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)C[NH2+]1 ZINC001246740835 945477677 /nfs/dbraw/zinc/47/76/77/945477677.db2.gz HODOGALEIALMAC-QCODTGAPSA-N 1 3 323.437 0.485 20 0 DCADHO CC(C)NC(=O)c1nn([C@@H]2CC[C@@H](C)[NH2+]C2)c2c1CNCC2 ZINC001246755670 945483211 /nfs/dbraw/zinc/48/32/11/945483211.db2.gz ISIIYMPURSXJJY-VXGBXAGGSA-N 1 3 305.426 0.980 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246874341 945511245 /nfs/dbraw/zinc/51/12/45/945511245.db2.gz SSZZLPBPRVZUOR-BFYDXBDKSA-N 1 3 324.469 0.025 20 0 DCADHO c1cc(CN([C@H]2CC[NH2+]C2)C2C[C@@H]3COC[C@H](C2)N3)ccn1 ZINC001246969641 945530248 /nfs/dbraw/zinc/53/02/48/945530248.db2.gz ZNHVVQWJGDZGLH-TVXGVJEUSA-N 1 3 302.422 0.765 20 0 DCADHO c1cc(-c2noc(CN[C@@H]3CC[NH2+]C3)n2)nc2c1CNCC2 ZINC001247696985 945567217 /nfs/dbraw/zinc/56/72/17/945567217.db2.gz BGUISLKNXDBFGA-LLVKDONJSA-N 1 3 300.366 0.229 20 0 DCADHO O[C@@H]1C[NH2+]CC[C@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247759164 945573438 /nfs/dbraw/zinc/57/34/38/945573438.db2.gz WYFYTOQQIKPOAN-ZWNOBZJWSA-N 1 3 301.350 0.215 20 0 DCADHO COc1cc(Cl)cnc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247852130 945579995 /nfs/dbraw/zinc/57/99/95/945579995.db2.gz QARSWUQFBXVZNY-UHFFFAOYSA-N 1 3 321.768 0.854 20 0 DCADHO c1cc(-c2noc([C@@H]3CO[C@@H]4C[NH2+]C[C@@H]43)n2)nc2c1CNCC2 ZINC001247930369 945582858 /nfs/dbraw/zinc/58/28/58/945582858.db2.gz AXGJVBIYSLSKGZ-JTNHKYCSSA-N 1 3 313.361 0.479 20 0 DCADHO NC1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]CC1 ZINC001247965970 945584750 /nfs/dbraw/zinc/58/47/50/945584750.db2.gz OLGWHWRRRUAYCS-UHFFFAOYSA-N 1 3 300.366 0.315 20 0 DCADHO C[C@@H](CC[NH2+]CCN1CCCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001320550114 945921778 /nfs/dbraw/zinc/92/17/78/945921778.db2.gz VICOUBASVPCZRK-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1)C(N)=O ZINC001410224346 946059751 /nfs/dbraw/zinc/05/97/51/946059751.db2.gz BIBDWODXKJZDOI-KBUPBQIOSA-N 1 3 324.469 0.609 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001410234969 946073236 /nfs/dbraw/zinc/07/32/36/946073236.db2.gz JPXTZRXQAIXQIJ-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC001253211185 946095779 /nfs/dbraw/zinc/09/57/79/946095779.db2.gz CRDFIUGQDXTMCW-GJZGRUSLSA-N 1 3 307.442 0.738 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001410260830 946104915 /nfs/dbraw/zinc/10/49/15/946104915.db2.gz UAFUATKUPWGBLE-ZIAGYGMSSA-N 1 3 324.469 0.289 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCc1ccnn1C ZINC001320997145 946105275 /nfs/dbraw/zinc/10/52/75/946105275.db2.gz HPQMSUVZYDSUQZ-NHZBNJEXSA-N 1 3 305.426 0.319 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001410309004 946153686 /nfs/dbraw/zinc/15/36/86/946153686.db2.gz IHJFFXHOSDGQJT-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3nccnc3N)C2)C1=O ZINC001273275658 946412723 /nfs/dbraw/zinc/41/27/23/946412723.db2.gz SLYXATLVGDHTML-INIZCTEOSA-N 1 3 318.425 0.045 20 0 DCADHO O[C@@H]1CCCN(CC[NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256684019 946653629 /nfs/dbraw/zinc/65/36/29/946653629.db2.gz LSQGLGOVEMOHOA-OFLPRAFFSA-N 1 3 311.470 0.676 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001410868820 947050782 /nfs/dbraw/zinc/05/07/82/947050782.db2.gz YUORLSOCZXIJSR-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C)[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001323749686 947192055 /nfs/dbraw/zinc/19/20/55/947192055.db2.gz XEWYATYBUMJJQX-KGLIPLIRSA-N 1 3 314.474 0.489 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001411120314 947353248 /nfs/dbraw/zinc/35/32/48/947353248.db2.gz DXHGNWVLJSFKAP-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO CN(C[C@@H](O)C[N@H+](C)CCCF)C(=O)C(C)(C)N1CCCC1 ZINC001411175951 947443286 /nfs/dbraw/zinc/44/32/86/947443286.db2.gz PSDNFVMRUBSEQC-AWEZNQCLSA-N 1 3 317.449 0.972 20 0 DCADHO CN(C[C@@H](O)C[N@@H+](C)CCCF)C(=O)C(C)(C)N1CCCC1 ZINC001411175951 947443293 /nfs/dbraw/zinc/44/32/93/947443293.db2.gz PSDNFVMRUBSEQC-AWEZNQCLSA-N 1 3 317.449 0.972 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCNC1=O)C(C)(C)C ZINC001411212310 947492269 /nfs/dbraw/zinc/49/22/69/947492269.db2.gz AUKWJHLNBFDZQK-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)CCC1 ZINC001411235256 947523936 /nfs/dbraw/zinc/52/39/36/947523936.db2.gz JVMIUNCHXFQWQY-UHFFFAOYSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262064284 947546025 /nfs/dbraw/zinc/54/60/25/947546025.db2.gz WMCUOUBJGFFWHZ-ZQDZILKHSA-N 1 3 322.453 0.186 20 0 DCADHO CON(C)C(=O)CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001262564628 947729077 /nfs/dbraw/zinc/72/90/77/947729077.db2.gz OBOFOPAXWXYGLJ-KRWDZBQOSA-N 1 3 321.421 0.623 20 0 DCADHO CON(C)C(=O)CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001262564628 947729097 /nfs/dbraw/zinc/72/90/97/947729097.db2.gz OBOFOPAXWXYGLJ-KRWDZBQOSA-N 1 3 321.421 0.623 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001325345025 947761675 /nfs/dbraw/zinc/76/16/75/947761675.db2.gz ADSYZDPXIGIJJT-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001273764400 948075606 /nfs/dbraw/zinc/07/56/06/948075606.db2.gz DWXUMTNUAHTZQI-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001326302494 948123785 /nfs/dbraw/zinc/12/37/85/948123785.db2.gz GLBRGEYAEBIPGY-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC(C)(C)F ZINC001328261243 948787382 /nfs/dbraw/zinc/78/73/82/948787382.db2.gz VOVIIKSELNNESW-UHFFFAOYSA-N 1 3 318.437 0.193 20 0 DCADHO C[C@H](CN1CCOCC1)C[N@@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC001364381522 949153356 /nfs/dbraw/zinc/15/33/56/949153356.db2.gz LRRQVGYJYUBEJZ-HZPDHXFCSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@H](CN1CCOCC1)C[N@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC001364381522 949153364 /nfs/dbraw/zinc/15/33/64/949153364.db2.gz LRRQVGYJYUBEJZ-HZPDHXFCSA-N 1 3 313.486 0.732 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001265145798 949373745 /nfs/dbraw/zinc/37/37/45/949373745.db2.gz ALAYMAIEQUOKIQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001265145798 949373767 /nfs/dbraw/zinc/37/37/67/949373767.db2.gz ALAYMAIEQUOKIQ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001265494608 949727525 /nfs/dbraw/zinc/72/75/25/949727525.db2.gz RHOCXFOWKRKMMB-KKUMJFAQSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CCOCC(F)F)C1)C1CCC1 ZINC001265910755 950129397 /nfs/dbraw/zinc/12/93/97/950129397.db2.gz NHSNTJOUEAVBGT-LBPRGKRZSA-N 1 3 319.396 0.943 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001489853356 950179205 /nfs/dbraw/zinc/17/92/05/950179205.db2.gz JQQIGBVYOXBDMZ-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCNC1=O ZINC001490330615 950585240 /nfs/dbraw/zinc/58/52/40/950585240.db2.gz DSYMZBUBKGXKRN-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CCNC1=O ZINC001490330615 950585254 /nfs/dbraw/zinc/58/52/54/950585254.db2.gz DSYMZBUBKGXKRN-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1nccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001280000597 950754236 /nfs/dbraw/zinc/75/42/36/950754236.db2.gz WIDCZWRMJLZZMZ-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CN(CCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC001331601896 951189113 /nfs/dbraw/zinc/18/91/13/951189113.db2.gz ROVSONFZNBHFMW-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001365824054 951588378 /nfs/dbraw/zinc/58/83/78/951588378.db2.gz BLURYMPUIMGGDK-XGUBFFRZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(=O)N1CCC[C@@H](CN2CC3(CN(CC[NH+](C)C)C3)C2)C1 ZINC001274919096 951895116 /nfs/dbraw/zinc/89/51/16/951895116.db2.gz JYGNDCNXOGVRIA-INIZCTEOSA-N 1 3 308.470 0.424 20 0 DCADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](C[C@@H]1CCC(=O)N1)CC2 ZINC001275186227 951992422 /nfs/dbraw/zinc/99/24/22/951992422.db2.gz JHNLBHBOLMFDKP-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446933512 1013112452 /nfs/dbraw/zinc/11/24/52/1013112452.db2.gz IJXKLAQZEOAUBK-QWHCGFSZSA-N 1 3 308.430 0.093 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3cn[nH]n3)C[C@H]2CC1 ZINC001275226438 952018894 /nfs/dbraw/zinc/01/88/94/952018894.db2.gz YFZOHWKJXGAKDM-BETUJISGSA-N 1 3 306.414 0.037 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]n3)C[C@H]2CC1 ZINC001275226438 952018904 /nfs/dbraw/zinc/01/89/04/952018904.db2.gz YFZOHWKJXGAKDM-BETUJISGSA-N 1 3 306.414 0.037 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCC1(C)C ZINC001333424156 952055127 /nfs/dbraw/zinc/05/51/27/952055127.db2.gz QPEGFZCOAQZIKE-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446933507 1013112981 /nfs/dbraw/zinc/11/29/81/1013112981.db2.gz IJXKLAQZEOAUBK-CHWSQXEVSA-N 1 3 308.430 0.093 20 0 DCADHO CCN1CC[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001412540729 952879801 /nfs/dbraw/zinc/87/98/01/952879801.db2.gz JXKRVWXATXXGOI-CVEARBPZSA-N 1 3 308.470 0.708 20 0 DCADHO NC1(C(=O)NCC[C@@H]2CSCC[NH2+]2)Cc2ccccc2C1 ZINC001548562672 953055268 /nfs/dbraw/zinc/05/52/68/953055268.db2.gz GZXDVEKFXGFRTB-CQSZACIVSA-N 1 3 305.447 0.694 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CNCCN2C)C1 ZINC001343374622 953342249 /nfs/dbraw/zinc/34/22/49/953342249.db2.gz HYFLXTBVWOKGTJ-XHSDSOJGSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CNCCN2C)C1 ZINC001343374622 953342253 /nfs/dbraw/zinc/34/22/53/953342253.db2.gz HYFLXTBVWOKGTJ-XHSDSOJGSA-N 1 3 310.486 0.764 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001343392479 953343427 /nfs/dbraw/zinc/34/34/27/953343427.db2.gz BICWUHUWEZOUSS-AJNGGQMLSA-N 1 3 315.458 0.208 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001366043629 953616887 /nfs/dbraw/zinc/61/68/87/953616887.db2.gz PMZQJNKPVFJIIJ-KGLIPLIRSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001366043629 953616891 /nfs/dbraw/zinc/61/68/91/953616891.db2.gz PMZQJNKPVFJIIJ-KGLIPLIRSA-N 1 3 310.442 0.077 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1)CC(C)(C)C ZINC001366056247 953630697 /nfs/dbraw/zinc/63/06/97/953630697.db2.gz NTNULOJQHWPQAQ-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001366092042 953672747 /nfs/dbraw/zinc/67/27/47/953672747.db2.gz FEZVYDGQXKDLQV-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001366092042 953672749 /nfs/dbraw/zinc/67/27/49/953672749.db2.gz FEZVYDGQXKDLQV-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001366216857 953839051 /nfs/dbraw/zinc/83/90/51/953839051.db2.gz DYNOYUUVHBROSC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001366216857 953839069 /nfs/dbraw/zinc/83/90/69/953839069.db2.gz DYNOYUUVHBROSC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001366279666 953946069 /nfs/dbraw/zinc/94/60/69/953946069.db2.gz UYKAOOSBNLSAEC-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001366279666 953946088 /nfs/dbraw/zinc/94/60/88/953946088.db2.gz UYKAOOSBNLSAEC-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cnn(C)c1 ZINC001366290421 953967225 /nfs/dbraw/zinc/96/72/25/953967225.db2.gz UCTPVFJXWOZEFE-CYBMUJFWSA-N 1 3 307.442 0.541 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001366296343 953977847 /nfs/dbraw/zinc/97/78/47/953977847.db2.gz WBHMNGSJYIHVHW-JSGCOSHPSA-N 1 3 300.447 0.192 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NCC1CC1 ZINC001366330806 954036368 /nfs/dbraw/zinc/03/63/68/954036368.db2.gz OQLUJUFYPPOAMR-ZDUSSCGKSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366376613 954119531 /nfs/dbraw/zinc/11/95/31/954119531.db2.gz GBMMMLWLTZGLSU-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001366387282 954135928 /nfs/dbraw/zinc/13/59/28/954135928.db2.gz IFOSROHFJXMCSC-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001366415626 954170147 /nfs/dbraw/zinc/17/01/47/954170147.db2.gz ZRJGJQHBTXOMFR-STQMWFEESA-N 1 3 312.458 0.276 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366438836 954195292 /nfs/dbraw/zinc/19/52/92/954195292.db2.gz RLWNASSWPMWFME-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NCC[N@H+](C)C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001366583503 954462509 /nfs/dbraw/zinc/46/25/09/954462509.db2.gz LZTFGWOWQOJIKM-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NCC[N@@H+](C)C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001366583503 954462513 /nfs/dbraw/zinc/46/25/13/954462513.db2.gz LZTFGWOWQOJIKM-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)CCCC[NH+](C)C)N[C@@H]1CCN(C)C1=O ZINC001283702536 954547051 /nfs/dbraw/zinc/54/70/51/954547051.db2.gz MYMDXIDJTRAICA-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1C ZINC001284029293 954792535 /nfs/dbraw/zinc/79/25/35/954792535.db2.gz DNFMNBUTIMTFIU-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001366773946 954820379 /nfs/dbraw/zinc/82/03/79/954820379.db2.gz IJOUMLSGQUTZDO-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001366778479 954833349 /nfs/dbraw/zinc/83/33/49/954833349.db2.gz ZDHUVQSIJZSWON-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N(C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001366884119 954991061 /nfs/dbraw/zinc/99/10/61/954991061.db2.gz OXMDJGCBKYHNET-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001367186009 955441052 /nfs/dbraw/zinc/44/10/52/955441052.db2.gz IHPDGWVXKGDVPE-MQIPJXDCSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001367186009 955441055 /nfs/dbraw/zinc/44/10/55/955441055.db2.gz IHPDGWVXKGDVPE-MQIPJXDCSA-N 1 3 310.442 0.077 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001367220932 955475979 /nfs/dbraw/zinc/47/59/79/955475979.db2.gz HGBCYUBDUZMKPQ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H]([NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCCC1)C(N)=O ZINC001367325503 955649906 /nfs/dbraw/zinc/64/99/06/955649906.db2.gz WJWVBCQKHWEHAH-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC001353279286 956003091 /nfs/dbraw/zinc/00/30/91/956003091.db2.gz VGTCXKIAOHSFMR-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001353415759 956056168 /nfs/dbraw/zinc/05/61/68/956056168.db2.gz KABXQWLRRVEBTG-GJZGRUSLSA-N 1 3 312.458 0.615 20 0 DCADHO COCCNCC(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001355560547 956675588 /nfs/dbraw/zinc/67/55/88/956675588.db2.gz ZWUKTBFZBXTTIY-WMLDXEAASA-N 1 3 319.405 0.595 20 0 DCADHO C[C@@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001367358822 957714824 /nfs/dbraw/zinc/71/48/24/957714824.db2.gz MORRXPLIYDDAII-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001367368584 957726205 /nfs/dbraw/zinc/72/62/05/957726205.db2.gz IUYYKDLPZXUMEM-GFCCVEGCSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001367368584 957726214 /nfs/dbraw/zinc/72/62/14/957726214.db2.gz IUYYKDLPZXUMEM-GFCCVEGCSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC(C)(C)C)N(C)C(=O)CC[NH+](C)C ZINC001367376150 957739911 /nfs/dbraw/zinc/73/99/11/957739911.db2.gz LXQKONKBZIHSKI-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1cncn1C)[NH+](C)C ZINC001367402081 957772694 /nfs/dbraw/zinc/77/26/94/957772694.db2.gz QBODEZHOSAEIFV-HIFRSBDPSA-N 1 3 309.458 0.943 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCc1cnnn1C ZINC001367433763 957804474 /nfs/dbraw/zinc/80/44/74/957804474.db2.gz AWFNPODQLXHCDQ-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001367489958 957885207 /nfs/dbraw/zinc/88/52/07/957885207.db2.gz SSTUMGOJYLZZGB-HUUCEWRRSA-N 1 3 322.457 0.350 20 0 DCADHO CCN(CCN[C@H]1CCN(C(C)C)C1=O)C(=O)CC[NH+](C)C ZINC001367649864 958272072 /nfs/dbraw/zinc/27/20/72/958272072.db2.gz UBOMOECVLSJUPO-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CCOC1CC(C[NH2+]C[C@@H](C)NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001367674363 958331234 /nfs/dbraw/zinc/33/12/34/958331234.db2.gz GRTHLHBCJKHKLP-PNESKVBLSA-N 1 3 322.409 0.303 20 0 DCADHO CCC(C)(C)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367772804 958545459 /nfs/dbraw/zinc/54/54/59/958545459.db2.gz SESOJZXDSLXQDV-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001367777966 958555471 /nfs/dbraw/zinc/55/54/71/958555471.db2.gz ZHUADLKAFHNAJO-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C1([NH+](C)C)CCCC1)CN1CCN(C)CC1 ZINC001362073787 958694791 /nfs/dbraw/zinc/69/47/91/958694791.db2.gz SKVJBAWMNGWRGJ-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C1CC1 ZINC001367914826 958854050 /nfs/dbraw/zinc/85/40/50/958854050.db2.gz XAIWZVKGKMLAKE-LSDHHAIUSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H]([NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001376805582 958880808 /nfs/dbraw/zinc/88/08/08/958880808.db2.gz XUWLIEGGCDBIQB-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H](C)CNC(=O)Cc2nc[nH]c2C)n1 ZINC001376857169 958994326 /nfs/dbraw/zinc/99/43/26/958994326.db2.gz OBBCMBYVMAUZEM-GFCCVEGCSA-N 1 3 318.425 0.868 20 0 DCADHO C[C@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@H]1CCCNC1=O ZINC001491694546 959063259 /nfs/dbraw/zinc/06/32/59/959063259.db2.gz ZPLPROUBADPTIZ-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001376919510 959134323 /nfs/dbraw/zinc/13/43/23/959134323.db2.gz VARXTTXMVOSMSE-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001376945299 959184908 /nfs/dbraw/zinc/18/49/08/959184908.db2.gz UYCRINRQQSJXPB-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1 ZINC001368121693 959281778 /nfs/dbraw/zinc/28/17/78/959281778.db2.gz HGNBAKFHKPRWQX-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1 ZINC001368121693 959281790 /nfs/dbraw/zinc/28/17/90/959281790.db2.gz HGNBAKFHKPRWQX-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001368122651 959287493 /nfs/dbraw/zinc/28/74/93/959287493.db2.gz NFGLZUWZWUABCE-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCC1)N(C)C ZINC001377090001 959453983 /nfs/dbraw/zinc/45/39/83/959453983.db2.gz COAFYBCPZUHTLC-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](CC2CC(C)C2)C1 ZINC001368284191 959607208 /nfs/dbraw/zinc/60/72/08/959607208.db2.gz USZYGTAHPZBNRP-VMBOVVBDSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC(C)C2)C1 ZINC001368284191 959607219 /nfs/dbraw/zinc/60/72/19/959607219.db2.gz USZYGTAHPZBNRP-VMBOVVBDSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)NC)CCC1 ZINC001368473452 959916369 /nfs/dbraw/zinc/91/63/69/959916369.db2.gz IVVALXAZWSXWCH-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCC(=O)NC)CCC1 ZINC001368473452 959916377 /nfs/dbraw/zinc/91/63/77/959916377.db2.gz IVVALXAZWSXWCH-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H](C(=O)N(C)CCCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001492439633 959958221 /nfs/dbraw/zinc/95/82/21/959958221.db2.gz KGAPVZLLFOLPQJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)C[NH2+]CC1(O)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001377354478 959967079 /nfs/dbraw/zinc/96/70/79/959967079.db2.gz KZKWOYQUDWLCNH-HNNXBMFYSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001368521024 959974184 /nfs/dbraw/zinc/97/41/84/959974184.db2.gz JCMDWSZTFPYNCG-MQYQWHSLSA-N 1 3 312.458 0.288 20 0 DCADHO CCC1(NCc2nncn2C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368596540 960069960 /nfs/dbraw/zinc/06/99/60/960069960.db2.gz UOTOJHYMQUVKBT-UHFFFAOYSA-N 1 3 322.457 0.628 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NC1CCCC1 ZINC001368661122 960134554 /nfs/dbraw/zinc/13/45/54/960134554.db2.gz USOLKLAOYBZMBN-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCCC1)C(N)=O ZINC001368676450 960148291 /nfs/dbraw/zinc/14/82/91/960148291.db2.gz XXRVPXQHWAZQAT-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC(=O)NC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368771093 960246866 /nfs/dbraw/zinc/24/68/66/960246866.db2.gz ROJHWBGNISVEMI-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001377596520 960338093 /nfs/dbraw/zinc/33/80/93/960338093.db2.gz PFALSXIDOLWVJX-OAHLLOKOSA-N 1 3 324.469 0.420 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001377600037 960343415 /nfs/dbraw/zinc/34/34/15/960343415.db2.gz IUELFSFJRDCWPB-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cncn1C ZINC001378251405 960432270 /nfs/dbraw/zinc/43/22/70/960432270.db2.gz KBPURGUWVDPXOM-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001377707687 960474645 /nfs/dbraw/zinc/47/46/45/960474645.db2.gz QYFWAHOYOAJLGJ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001377719115 960496890 /nfs/dbraw/zinc/49/68/90/960496890.db2.gz YXYQONJMLGAXOM-SSDMNJCBSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[NH+]1CCN(CCN(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001377730027 960520182 /nfs/dbraw/zinc/52/01/82/960520182.db2.gz OHBOEHISKAFJSP-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C2CCC2)C1=O ZINC001378304173 960537479 /nfs/dbraw/zinc/53/74/79/960537479.db2.gz QFSWNKJDPRDRMJ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001378305666 960544432 /nfs/dbraw/zinc/54/44/32/960544432.db2.gz VDBPPCKSECYEJM-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001377767386 960611028 /nfs/dbraw/zinc/61/10/28/960611028.db2.gz LWHDWSFNRHSXHY-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001378396122 960698835 /nfs/dbraw/zinc/69/88/35/960698835.db2.gz YDAFNSJULYSVNM-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001378396122 960698848 /nfs/dbraw/zinc/69/88/48/960698848.db2.gz YDAFNSJULYSVNM-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001363356689 960969602 /nfs/dbraw/zinc/96/96/02/960969602.db2.gz JUXGUPGZRJZYBA-AWEZNQCLSA-N 1 3 306.458 0.865 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C)N(C)C ZINC001378614379 961128371 /nfs/dbraw/zinc/12/83/71/961128371.db2.gz MKQFRZNDIKHXOM-TZMCWYRMSA-N 1 3 310.446 0.243 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001378691746 961287559 /nfs/dbraw/zinc/28/75/59/961287559.db2.gz RNIVGYBCHYQZIJ-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001378691746 961287575 /nfs/dbraw/zinc/28/75/75/961287575.db2.gz RNIVGYBCHYQZIJ-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CC[C@@H]3CCC[NH2+]3)C2)nn1 ZINC001549046912 1013246868 /nfs/dbraw/zinc/24/68/68/1013246868.db2.gz CVZXQIQQHHAYPU-JSGCOSHPSA-N 1 3 306.414 0.433 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378773244 961447838 /nfs/dbraw/zinc/44/78/38/961447838.db2.gz HGQQVIMIZHIQKP-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@H]3C2)CCC1 ZINC001378792926 961487882 /nfs/dbraw/zinc/48/78/82/961487882.db2.gz ZVFMJBLDNNZKKQ-MGPQQGTHSA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)CCC1 ZINC001378792926 961487893 /nfs/dbraw/zinc/48/78/93/961487893.db2.gz ZVFMJBLDNNZKKQ-MGPQQGTHSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001378817870 961537309 /nfs/dbraw/zinc/53/73/09/961537309.db2.gz NDJFMBXEYMJHOS-GFCCVEGCSA-N 1 3 306.410 0.284 20 0 DCADHO CNC(=O)C[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001378937494 961732169 /nfs/dbraw/zinc/73/21/69/961732169.db2.gz OKRSCFUJYLHGLJ-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001378994733 961827970 /nfs/dbraw/zinc/82/79/70/961827970.db2.gz KUCUUVLWCVDNTA-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001379025952 961910737 /nfs/dbraw/zinc/91/07/37/961910737.db2.gz ALHFLTNISUPXPQ-BBRMVZONSA-N 1 3 317.449 0.922 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379072668 962026675 /nfs/dbraw/zinc/02/66/75/962026675.db2.gz DQONQYWDHHEQRM-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)CC[N@@H+]1C ZINC001379858647 962158514 /nfs/dbraw/zinc/15/85/14/962158514.db2.gz OGHZFUJULZXEEL-KCPJHIHWSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)CC[N@H+]1C ZINC001379858647 962158521 /nfs/dbraw/zinc/15/85/21/962158521.db2.gz OGHZFUJULZXEEL-KCPJHIHWSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCCC1=O ZINC001379152442 962207216 /nfs/dbraw/zinc/20/72/16/962207216.db2.gz WFEONUNPMOXJFB-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001379209119 962366051 /nfs/dbraw/zinc/36/60/51/962366051.db2.gz VOFOLAASHOKDES-INIZCTEOSA-N 1 3 323.412 0.877 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCCN2C)o1 ZINC001379236870 962432253 /nfs/dbraw/zinc/43/22/53/962432253.db2.gz XYMPUEUCAOGQIY-GXTWGEPZSA-N 1 3 310.398 0.034 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC001380109250 962687408 /nfs/dbraw/zinc/68/74/08/962687408.db2.gz XYCZNYNSZHTOKQ-QWHCGFSZSA-N 1 3 320.441 0.344 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001380178412 962830218 /nfs/dbraw/zinc/83/02/18/962830218.db2.gz BTNRNWBBADPQEN-INIZCTEOSA-N 1 3 311.470 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001380178412 962830234 /nfs/dbraw/zinc/83/02/34/962830234.db2.gz BTNRNWBBADPQEN-INIZCTEOSA-N 1 3 311.470 0.881 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379445848 962939057 /nfs/dbraw/zinc/93/90/57/962939057.db2.gz AVTKZQOIKMLERU-IUODEOHRSA-N 1 3 324.473 0.787 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001380279366 962979254 /nfs/dbraw/zinc/97/92/54/962979254.db2.gz GTRQPQMKRXGOKT-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1)C(N)=O ZINC001380326515 963039783 /nfs/dbraw/zinc/03/97/83/963039783.db2.gz FFSDUVXKJBDMLM-OCCSQVGLSA-N 1 3 322.453 0.221 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001380334138 963052254 /nfs/dbraw/zinc/05/22/54/963052254.db2.gz MXYNYCKMVPYTQB-WLYUNCDWSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001379522407 963122996 /nfs/dbraw/zinc/12/29/96/963122996.db2.gz YJSOWKZPHKCWON-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001379522407 963123005 /nfs/dbraw/zinc/12/30/05/963123005.db2.gz YJSOWKZPHKCWON-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001379543156 963163221 /nfs/dbraw/zinc/16/32/21/963163221.db2.gz UJMGXTIDXPIRJD-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1ccc(CNC[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001380410588 963170678 /nfs/dbraw/zinc/17/06/78/963170678.db2.gz BFSLWJNFJPPTRT-INIZCTEOSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001379581952 963212676 /nfs/dbraw/zinc/21/26/76/963212676.db2.gz HXFXHYAZCGFMED-KBPBESRZSA-N 1 3 322.453 0.186 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001380854220 963634777 /nfs/dbraw/zinc/63/47/77/963634777.db2.gz CSYFKFAFYOCVQS-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001380854220 963634783 /nfs/dbraw/zinc/63/47/83/963634783.db2.gz CSYFKFAFYOCVQS-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO COC[C@H](C)[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001381066566 963793199 /nfs/dbraw/zinc/79/31/99/963793199.db2.gz JWXZTHCZGQGOPN-AWEZNQCLSA-N 1 3 315.458 0.617 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001375271375 964192849 /nfs/dbraw/zinc/19/28/49/964192849.db2.gz MXYVZBNVXGAYNJ-DOMZBBRYSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001375271375 964192854 /nfs/dbraw/zinc/19/28/54/964192854.db2.gz MXYVZBNVXGAYNJ-DOMZBBRYSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)CCNC(=O)C1CC1 ZINC001368973461 964219939 /nfs/dbraw/zinc/21/99/39/964219939.db2.gz MUYJURVQQWSPOL-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H]1CCNC1=O ZINC001369038251 964330320 /nfs/dbraw/zinc/33/03/20/964330320.db2.gz JZECIPLRNUDCTO-ZIAGYGMSSA-N 1 3 321.425 0.303 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001369290474 964664280 /nfs/dbraw/zinc/66/42/80/964664280.db2.gz IGFFGCMRPWYAPH-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001373850158 964714525 /nfs/dbraw/zinc/71/45/25/964714525.db2.gz DHMVFNONLRJOSM-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001373850158 964714533 /nfs/dbraw/zinc/71/45/33/964714533.db2.gz DHMVFNONLRJOSM-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]CC(=O)N1CCC1)C1CC1 ZINC001373897031 964763064 /nfs/dbraw/zinc/76/30/64/964763064.db2.gz JCUSUKOVUPTTFM-KRWDZBQOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001375744981 964787614 /nfs/dbraw/zinc/78/76/14/964787614.db2.gz BCLAQZSLSLMWHN-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001375744981 964787628 /nfs/dbraw/zinc/78/76/28/964787628.db2.gz BCLAQZSLSLMWHN-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001375756271 964798108 /nfs/dbraw/zinc/79/81/08/964798108.db2.gz ICLIILCSYMJNDW-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369394990 964890433 /nfs/dbraw/zinc/89/04/33/964890433.db2.gz CCFXZYSXVBKRDU-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374022499 964900152 /nfs/dbraw/zinc/90/01/52/964900152.db2.gz RJCXXIDRPPSTRE-BFHYXJOUSA-N 1 3 307.442 0.602 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374022499 964900162 /nfs/dbraw/zinc/90/01/62/964900162.db2.gz RJCXXIDRPPSTRE-BFHYXJOUSA-N 1 3 307.442 0.602 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)N1CCCC1 ZINC001369423922 964957607 /nfs/dbraw/zinc/95/76/07/964957607.db2.gz QJYAZRCBKPTABU-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001374079839 964987824 /nfs/dbraw/zinc/98/78/24/964987824.db2.gz QHSIKEVJMVOJKS-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001369484729 965055910 /nfs/dbraw/zinc/05/59/10/965055910.db2.gz UBFKWRSOWWPISB-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001369581583 965192952 /nfs/dbraw/zinc/19/29/52/965192952.db2.gz MJMXEAYYHQDLIU-JXQTWKCFSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374284241 965223905 /nfs/dbraw/zinc/22/39/05/965223905.db2.gz TZNJPMOETCZYQC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374284241 965223917 /nfs/dbraw/zinc/22/39/17/965223917.db2.gz TZNJPMOETCZYQC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C(N)=O)N(C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001374403286 965345890 /nfs/dbraw/zinc/34/58/90/965345890.db2.gz HVPRXMPHSMTWKE-ZDUSSCGKSA-N 1 3 312.458 0.372 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N(C)CC)C1 ZINC001376326375 965524297 /nfs/dbraw/zinc/52/42/97/965524297.db2.gz ZJUGKCVFUUIIJA-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N(C)CC)C1 ZINC001376326375 965524309 /nfs/dbraw/zinc/52/43/09/965524309.db2.gz ZJUGKCVFUUIIJA-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001376391066 965604160 /nfs/dbraw/zinc/60/41/60/965604160.db2.gz GOWHLIHVJJGLPB-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)NC1CC1 ZINC001376396540 965608116 /nfs/dbraw/zinc/60/81/16/965608116.db2.gz KFKABMQDKIOTIQ-QHSBEEBCSA-N 1 3 322.453 0.232 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001374605757 965625025 /nfs/dbraw/zinc/62/50/25/965625025.db2.gz QNRLYIKUERTFNI-VNQPRFMTSA-N 1 3 320.437 0.297 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001374605757 965625027 /nfs/dbraw/zinc/62/50/27/965625027.db2.gz QNRLYIKUERTFNI-VNQPRFMTSA-N 1 3 320.437 0.297 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001370018032 965698466 /nfs/dbraw/zinc/69/84/66/965698466.db2.gz OAGVMQLPCMEQKV-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCCN2CCCC2=O)C1 ZINC001370020173 965701903 /nfs/dbraw/zinc/70/19/03/965701903.db2.gz SIYYUQSECYHHSY-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001374670877 965734243 /nfs/dbraw/zinc/73/42/43/965734243.db2.gz VRLGFBDEBYNVDG-HNNXBMFYSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001374670877 965734255 /nfs/dbraw/zinc/73/42/55/965734255.db2.gz VRLGFBDEBYNVDG-HNNXBMFYSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001374672199 965736153 /nfs/dbraw/zinc/73/61/53/965736153.db2.gz NYQPEGYXCSIZGA-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001374673198 965737877 /nfs/dbraw/zinc/73/78/77/965737877.db2.gz TYLGEUWIKMZKAO-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001370092908 965764900 /nfs/dbraw/zinc/76/49/00/965764900.db2.gz LQSYPDBOSBUNIN-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001376519365 965776624 /nfs/dbraw/zinc/77/66/24/965776624.db2.gz YCYNIORJLVUFBW-GASCZTMLSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001374722603 965814646 /nfs/dbraw/zinc/81/46/46/965814646.db2.gz QJQFENSUYRAXSM-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001370273205 965942830 /nfs/dbraw/zinc/94/28/30/965942830.db2.gz LDBSVWGYJZABKI-HUUCEWRRSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1cncn1C ZINC001447876100 1013617120 /nfs/dbraw/zinc/61/71/20/1013617120.db2.gz WYGCFDJXXCDWEQ-QWHCGFSZSA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNCc1cc(CO)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374842282 966016775 /nfs/dbraw/zinc/01/67/75/966016775.db2.gz JZPURQPBBAQUEJ-TZMCWYRMSA-N 1 3 323.412 0.864 20 0 DCADHO C[C@H](CNCc1cc(CO)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374842282 966016783 /nfs/dbraw/zinc/01/67/83/966016783.db2.gz JZPURQPBBAQUEJ-TZMCWYRMSA-N 1 3 323.412 0.864 20 0 DCADHO C[C@H](CNCc1cc(CO)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374842280 966018792 /nfs/dbraw/zinc/01/87/92/966018792.db2.gz JZPURQPBBAQUEJ-OCCSQVGLSA-N 1 3 323.412 0.864 20 0 DCADHO C[C@H](CNCc1cc(CO)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374842280 966018801 /nfs/dbraw/zinc/01/88/01/966018801.db2.gz JZPURQPBBAQUEJ-OCCSQVGLSA-N 1 3 323.412 0.864 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374926460 966147209 /nfs/dbraw/zinc/14/72/09/966147209.db2.gz KJYFQHCHSMVVPU-XUXIUFHCSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001374926460 966147213 /nfs/dbraw/zinc/14/72/13/966147213.db2.gz KJYFQHCHSMVVPU-XUXIUFHCSA-N 1 3 310.442 0.090 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)CC(C)(C)C ZINC001370520467 966209332 /nfs/dbraw/zinc/20/93/32/966209332.db2.gz HYEKFOHQKVCMPH-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001381492479 966458065 /nfs/dbraw/zinc/45/80/65/966458065.db2.gz VHYNKIWKUQUDPQ-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001381492479 966458072 /nfs/dbraw/zinc/45/80/72/966458072.db2.gz VHYNKIWKUQUDPQ-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001447926409 1013653513 /nfs/dbraw/zinc/65/35/13/1013653513.db2.gz JETFMKBUNJTPLS-WDEREUQCSA-N 1 3 306.414 0.192 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001370835225 966524629 /nfs/dbraw/zinc/52/46/29/966524629.db2.gz HMVCSAJRKPTRDN-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN(C)C1CCC1 ZINC001370838555 966528514 /nfs/dbraw/zinc/52/85/14/966528514.db2.gz YHHFFGWAPGQIGC-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CN1C(=O)CC[NH+](C)C ZINC001370898035 966573682 /nfs/dbraw/zinc/57/36/82/966573682.db2.gz SLMGCGPKMFKDFF-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CN1C(=O)CC[NH+](C)C ZINC001370898027 966573700 /nfs/dbraw/zinc/57/37/00/966573700.db2.gz SLMGCGPKMFKDFF-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001370927143 966591715 /nfs/dbraw/zinc/59/17/15/966591715.db2.gz FYXOEBCFXQLGJL-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001370927143 966591720 /nfs/dbraw/zinc/59/17/20/966591720.db2.gz FYXOEBCFXQLGJL-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H](C)C(=O)N(C)C ZINC001371268893 966860843 /nfs/dbraw/zinc/86/08/43/966860843.db2.gz UEXJKJCBSDYUJZ-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N[C@@H]1CCN(C)C1=O ZINC001371308733 966890570 /nfs/dbraw/zinc/89/05/70/966890570.db2.gz QFSFNUKDYZQLJV-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001382086607 966927113 /nfs/dbraw/zinc/92/71/13/966927113.db2.gz AWYIJHIIWSXQCG-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001382113736 966951308 /nfs/dbraw/zinc/95/13/08/966951308.db2.gz BQPVYHDTYIZPHL-NEPJUHHUSA-N 1 3 300.447 0.275 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC1CCCC1 ZINC001371433944 966988375 /nfs/dbraw/zinc/98/83/75/966988375.db2.gz WZAXRSKDDFIGCI-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001371554559 967112738 /nfs/dbraw/zinc/11/27/38/967112738.db2.gz GBUKZGSYZSWZIB-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1nncn1C ZINC001371606715 967164945 /nfs/dbraw/zinc/16/49/45/967164945.db2.gz OLHKRKBMIQCSLM-STQMWFEESA-N 1 3 308.430 0.266 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001382300675 967185878 /nfs/dbraw/zinc/18/58/78/967185878.db2.gz CVKBEUOAHOCYRL-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001382300675 967185886 /nfs/dbraw/zinc/18/58/86/967185886.db2.gz CVKBEUOAHOCYRL-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)NCc1cnns1 ZINC001371871095 967407166 /nfs/dbraw/zinc/40/71/66/967407166.db2.gz ZEQTZJLUCXLJHJ-LLVKDONJSA-N 1 3 309.439 0.618 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001372070937 967623141 /nfs/dbraw/zinc/62/31/41/967623141.db2.gz LVDXKOHKDPKZNU-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001372070937 967623148 /nfs/dbraw/zinc/62/31/48/967623148.db2.gz LVDXKOHKDPKZNU-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCc1cnn(CC)c1 ZINC001372476991 968018248 /nfs/dbraw/zinc/01/82/48/968018248.db2.gz NFWBTEVHYXRXBN-INIZCTEOSA-N 1 3 321.469 0.835 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCc1cnn(CC)c1 ZINC001372476991 968018256 /nfs/dbraw/zinc/01/82/56/968018256.db2.gz NFWBTEVHYXRXBN-INIZCTEOSA-N 1 3 321.469 0.835 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001372625731 968191192 /nfs/dbraw/zinc/19/11/92/968191192.db2.gz LURRALNLURPBOE-ILXRZTDVSA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001372625731 968191197 /nfs/dbraw/zinc/19/11/97/968191197.db2.gz LURRALNLURPBOE-ILXRZTDVSA-N 1 3 315.458 0.018 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001372631154 968196768 /nfs/dbraw/zinc/19/67/68/968196768.db2.gz GUKIIIROUGMUOV-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001372631154 968196774 /nfs/dbraw/zinc/19/67/74/968196774.db2.gz GUKIIIROUGMUOV-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001373072214 968686745 /nfs/dbraw/zinc/68/67/45/968686745.db2.gz ZVJHDRUDJKWDRH-GXTWGEPZSA-N 1 3 300.447 0.145 20 0 DCADHO CNC(=O)[C@H](C)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373234219 968835046 /nfs/dbraw/zinc/83/50/46/968835046.db2.gz IRCQGWPAFCDZCV-KBPBESRZSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCCN1C ZINC001373527672 969190354 /nfs/dbraw/zinc/19/03/54/969190354.db2.gz ZCPJMZRJDXZAAC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCCN1C ZINC001373527672 969190357 /nfs/dbraw/zinc/19/03/57/969190357.db2.gz ZCPJMZRJDXZAAC-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001431313031 1013991001 /nfs/dbraw/zinc/99/10/01/1013991001.db2.gz QNPJJRZPATZFBJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001431313031 1013991003 /nfs/dbraw/zinc/99/10/03/1013991003.db2.gz QNPJJRZPATZFBJ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001449027329 1014144135 /nfs/dbraw/zinc/14/41/35/1014144135.db2.gz ZCXOJYWNPHVCHX-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001449040509 1014152159 /nfs/dbraw/zinc/15/21/59/1014152159.db2.gz YMFDTSPDBALVAD-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001449079159 1014173479 /nfs/dbraw/zinc/17/34/79/1014173479.db2.gz LJVPQGAYPCBJMY-KGLIPLIRSA-N 1 3 324.469 0.384 20 0 DCADHO Cn1ccnc1[C@H]1[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)CCC(=O)N1C ZINC001549337614 1014222536 /nfs/dbraw/zinc/22/25/36/1014222536.db2.gz FTSIYSXMLCKVMN-SFDCQRBFSA-N 1 3 305.426 0.942 20 0 DCADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)C12CC[NH+](CC1)C2 ZINC001449161328 1014255296 /nfs/dbraw/zinc/25/52/96/1014255296.db2.gz OWNYNYKACAUPOM-HNNXBMFYSA-N 1 3 318.421 0.086 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC[C@H](C)C1 ZINC001522694370 1014304268 /nfs/dbraw/zinc/30/42/68/1014304268.db2.gz ZMQYYHDJACGHOO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC[C@H](C)C1 ZINC001522694370 1014304281 /nfs/dbraw/zinc/30/42/81/1014304281.db2.gz ZMQYYHDJACGHOO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C[C@H](O)C[N@H+](C)C[C@@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001449227650 1014326735 /nfs/dbraw/zinc/32/67/35/1014326735.db2.gz JDLSDZABQXYZTG-DZGCQCFKSA-N 1 3 324.425 0.130 20 0 DCADHO CN(C[C@H](O)C[N@@H+](C)C[C@@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001449227650 1014326745 /nfs/dbraw/zinc/32/67/45/1014326745.db2.gz JDLSDZABQXYZTG-DZGCQCFKSA-N 1 3 324.425 0.130 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@H]2[NH3+])c1 ZINC001549738772 1014435819 /nfs/dbraw/zinc/43/58/19/1014435819.db2.gz KMFMTOVFKBBBCT-HUUCEWRRSA-N 1 3 311.389 0.590 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]34CCC[C@@H]3[NH2+]CC4)C2)nn1 ZINC001550062365 1014542323 /nfs/dbraw/zinc/54/23/23/1014542323.db2.gz JGVFSCHBYCHDTM-YCPHGPKFSA-N 1 3 318.425 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449613216 1014585700 /nfs/dbraw/zinc/58/57/00/1014585700.db2.gz UTZTUDBHLILWRV-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449613216 1014585709 /nfs/dbraw/zinc/58/57/09/1014585709.db2.gz UTZTUDBHLILWRV-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CCCC4)C2)nn1 ZINC001550188406 1014617637 /nfs/dbraw/zinc/61/76/37/1014617637.db2.gz WBXPPJFITSNNHX-XPKDYRNWSA-N 1 3 318.425 0.290 20 0 DCADHO CCC[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550200165 1014625722 /nfs/dbraw/zinc/62/57/22/1014625722.db2.gz SGAHPZIVQWMMKJ-CYBMUJFWSA-N 1 3 310.442 0.446 20 0 DCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2 ZINC001550483213 1014731058 /nfs/dbraw/zinc/73/10/58/1014731058.db2.gz WWFYXAYFDSBRCB-OHFALNGGSA-N 1 3 311.470 0.923 20 0 DCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C2 ZINC001550483213 1014731061 /nfs/dbraw/zinc/73/10/61/1014731061.db2.gz WWFYXAYFDSBRCB-OHFALNGGSA-N 1 3 311.470 0.923 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1)CC(C)(C)C ZINC001530448398 1014753961 /nfs/dbraw/zinc/75/39/61/1014753961.db2.gz HQRWPRSFDHOKCJ-ZDUSSCGKSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)CC(C)(C)C ZINC001530448398 1014753964 /nfs/dbraw/zinc/75/39/64/1014753964.db2.gz HQRWPRSFDHOKCJ-ZDUSSCGKSA-N 1 3 324.469 0.243 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]2C1 ZINC001550543892 1014754626 /nfs/dbraw/zinc/75/46/26/1014754626.db2.gz ZWJIOJQBIHEEKA-CPUCHLNUSA-N 1 3 303.406 0.243 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]2C1 ZINC001550543892 1014754639 /nfs/dbraw/zinc/75/46/39/1014754639.db2.gz ZWJIOJQBIHEEKA-CPUCHLNUSA-N 1 3 303.406 0.243 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001550745162 1014833329 /nfs/dbraw/zinc/83/33/29/1014833329.db2.gz LDKWDBQSQUBVPK-QLFBSQMISA-N 1 3 322.453 0.512 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001450398335 1015115860 /nfs/dbraw/zinc/11/58/60/1015115860.db2.gz XMPBSWNVWHAGQN-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001551498373 1015118738 /nfs/dbraw/zinc/11/87/38/1015118738.db2.gz QDXRASDXWGTGIT-BBBYJDLNSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551583048 1015144825 /nfs/dbraw/zinc/14/48/25/1015144825.db2.gz RQOURBVHMXDHBD-RZZRIIHNSA-N 1 3 322.453 0.761 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1)C1CCC1 ZINC001450475169 1015161874 /nfs/dbraw/zinc/16/18/74/1015161874.db2.gz AMLDRPZDBSFEAE-UHFFFAOYSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386020168 986758463 /nfs/dbraw/zinc/75/84/63/986758463.db2.gz AYEDERFWFZROPJ-XQLPTFJDSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386020168 986758467 /nfs/dbraw/zinc/75/84/67/986758467.db2.gz AYEDERFWFZROPJ-XQLPTFJDSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC001386023739 986761784 /nfs/dbraw/zinc/76/17/84/986761784.db2.gz KMNZYGQFDRCYFC-CRWXNKLISA-N 1 3 312.458 0.430 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001386041752 986775744 /nfs/dbraw/zinc/77/57/44/986775744.db2.gz ONPDVYUUWVPUEK-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001386114598 986845727 /nfs/dbraw/zinc/84/57/27/986845727.db2.gz BXTCTNSIUZLRDM-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001386208268 986955930 /nfs/dbraw/zinc/95/59/30/986955930.db2.gz DFKZKMXYTSBIGQ-ZQDZILKHSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001386208268 986955940 /nfs/dbraw/zinc/95/59/40/986955940.db2.gz DFKZKMXYTSBIGQ-ZQDZILKHSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001386313948 987063538 /nfs/dbraw/zinc/06/35/38/987063538.db2.gz HLCARPXBKOHROS-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001386313948 987063549 /nfs/dbraw/zinc/06/35/49/987063549.db2.gz HLCARPXBKOHROS-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001386870147 987467721 /nfs/dbraw/zinc/46/77/21/987467721.db2.gz LRDFEQIFFABYLD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001386870147 987467728 /nfs/dbraw/zinc/46/77/28/987467728.db2.gz LRDFEQIFFABYLD-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001387004750 987558818 /nfs/dbraw/zinc/55/88/18/987558818.db2.gz AITUKKKGTUXPIY-LLVKDONJSA-N 1 3 309.414 0.223 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC001387004750 987558821 /nfs/dbraw/zinc/55/88/21/987558821.db2.gz AITUKKKGTUXPIY-LLVKDONJSA-N 1 3 309.414 0.223 20 0 DCADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201248 1015323051 /nfs/dbraw/zinc/32/30/51/1015323051.db2.gz ZVLYNIFELVBROJ-LZLYRXPVSA-N 1 3 315.417 0.613 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001552245719 1015345304 /nfs/dbraw/zinc/34/53/04/1015345304.db2.gz GDTATOOXVLFUFF-BZUAXINKSA-N 1 3 305.422 0.371 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001552245719 1015345312 /nfs/dbraw/zinc/34/53/12/1015345312.db2.gz GDTATOOXVLFUFF-BZUAXINKSA-N 1 3 305.422 0.371 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001387820702 988182747 /nfs/dbraw/zinc/18/27/47/988182747.db2.gz YRJSPAHXTXAZQO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001387820702 988182755 /nfs/dbraw/zinc/18/27/55/988182755.db2.gz YRJSPAHXTXAZQO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CCn2cccn2)C2CC2)CCC1 ZINC001389617739 989434720 /nfs/dbraw/zinc/43/47/20/989434720.db2.gz YHRAZTCTSDWTLI-HNNXBMFYSA-N 1 3 319.453 0.852 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CCn2cccn2)C2CC2)CCC1 ZINC001389617750 989435313 /nfs/dbraw/zinc/43/53/13/989435313.db2.gz YHRAZTCTSDWTLI-OAHLLOKOSA-N 1 3 319.453 0.852 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H](CNC(=O)CC[NH+](C)C)C2CC2)n[nH]1 ZINC001389640998 989455772 /nfs/dbraw/zinc/45/57/72/989455772.db2.gz KSKYSUBLHXYOIZ-MFKMUULPSA-N 1 3 308.430 0.610 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001389706046 989505391 /nfs/dbraw/zinc/50/53/91/989505391.db2.gz AILRGFKJJVOBCH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001389706046 989505402 /nfs/dbraw/zinc/50/54/02/989505402.db2.gz AILRGFKJJVOBCH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001389774292 989563750 /nfs/dbraw/zinc/56/37/50/989563750.db2.gz PIHRYNIICDFKHJ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001389818960 989609344 /nfs/dbraw/zinc/60/93/44/989609344.db2.gz IDYIMGBAHHEPJP-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CCNC[C@H]1C(F)F ZINC001552694010 1015494668 /nfs/dbraw/zinc/49/46/68/1015494668.db2.gz SEFIJYIKKJYABT-NSHDSACASA-N 1 3 313.352 0.556 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)N(C)C ZINC001389901702 989672854 /nfs/dbraw/zinc/67/28/54/989672854.db2.gz STFNOAXAZDIQSR-XDQVBPFNSA-N 1 3 320.441 0.342 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(CC)CC)C1)N(C)C ZINC001389989355 989733327 /nfs/dbraw/zinc/73/33/27/989733327.db2.gz ZMCDZIDLJSBGIO-HZSPNIEDSA-N 1 3 312.458 0.432 20 0 DCADHO CN1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC001552768088 1015521677 /nfs/dbraw/zinc/52/16/77/1015521677.db2.gz QUYVIJANQTWUJM-ZBFHGGJFSA-N 1 3 321.469 0.254 20 0 DCADHO CN1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC001552768088 1015521687 /nfs/dbraw/zinc/52/16/87/1015521687.db2.gz QUYVIJANQTWUJM-ZBFHGGJFSA-N 1 3 321.469 0.254 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCCC1 ZINC001390471909 990130232 /nfs/dbraw/zinc/13/02/32/990130232.db2.gz AQXMZWUWELZYHC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001390511359 990162307 /nfs/dbraw/zinc/16/23/07/990162307.db2.gz PNMJKSKKZZODMU-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001390511359 990162310 /nfs/dbraw/zinc/16/23/10/990162310.db2.gz PNMJKSKKZZODMU-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001390536175 990183713 /nfs/dbraw/zinc/18/37/13/990183713.db2.gz HJWIJZRFTQRITN-KBPBESRZSA-N 1 3 314.474 0.676 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001390610751 990242865 /nfs/dbraw/zinc/24/28/65/990242865.db2.gz JESXOUCDPDCDGJ-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO Cn1ccnc1CN[C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001390613010 990245725 /nfs/dbraw/zinc/24/57/25/990245725.db2.gz MSDXOUGYYWSDBY-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001552841181 1015548899 /nfs/dbraw/zinc/54/88/99/1015548899.db2.gz MIWXMKCOGFHDKA-ZNMIVQPWSA-N 1 3 323.824 0.748 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001390862102 990444155 /nfs/dbraw/zinc/44/41/55/990444155.db2.gz MXYPBXKUBFCOED-OAHLLOKOSA-N 1 3 307.442 0.445 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001390862102 990444158 /nfs/dbraw/zinc/44/41/58/990444158.db2.gz MXYPBXKUBFCOED-OAHLLOKOSA-N 1 3 307.442 0.445 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001391236143 990691679 /nfs/dbraw/zinc/69/16/79/990691679.db2.gz ONJCYKHRZDWGRT-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)NCCC1CCN([C@H]2CCCNC2=O)CC1 ZINC001391849232 991218552 /nfs/dbraw/zinc/21/85/52/991218552.db2.gz QKSHOUZTDHWVPQ-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001391860346 991230949 /nfs/dbraw/zinc/23/09/49/991230949.db2.gz DVPMIPJMGQRTCJ-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001392136131 991533524 /nfs/dbraw/zinc/53/35/24/991533524.db2.gz CFXDQPXSUANSMK-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1CNCC(N)=O ZINC001392199042 991598699 /nfs/dbraw/zinc/59/86/99/991598699.db2.gz VTWBQSWSZINEOJ-ZFWWWQNUSA-N 1 3 324.469 0.420 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001392348226 991787138 /nfs/dbraw/zinc/78/71/38/991787138.db2.gz XPYJUEULLGPYLX-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)CC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001392595823 992139323 /nfs/dbraw/zinc/13/93/23/992139323.db2.gz YALPQPONMSEVIC-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@]2(CCN([C@@H]3CCCNC3=O)C2)C1 ZINC001392990725 992606965 /nfs/dbraw/zinc/60/69/65/992606965.db2.gz GSYOVSUTGAGBDE-RHSMWYFYSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001393051011 992651311 /nfs/dbraw/zinc/65/13/11/992651311.db2.gz GGAOTRIVNJLRHL-HIFRSBDPSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(=O)N(C)C ZINC001393054025 992653499 /nfs/dbraw/zinc/65/34/99/992653499.db2.gz HNWAXFXKSQJNBQ-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393414411 992959642 /nfs/dbraw/zinc/95/96/42/992959642.db2.gz OSVULYQXMLYRPU-SOUVJXGZSA-N 1 3 324.469 0.195 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]2C1 ZINC001393414411 992959652 /nfs/dbraw/zinc/95/96/52/992959652.db2.gz OSVULYQXMLYRPU-SOUVJXGZSA-N 1 3 324.469 0.195 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001393519087 993049482 /nfs/dbraw/zinc/04/94/82/993049482.db2.gz PPXHTTSRPLHBGM-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CCc2cnn(C)c2)CCC1)N(C)C ZINC001393549949 993075071 /nfs/dbraw/zinc/07/50/71/993075071.db2.gz VIKHSOKJQMSPMT-OAHLLOKOSA-N 1 3 321.469 0.931 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001393566226 993088294 /nfs/dbraw/zinc/08/82/94/993088294.db2.gz LEPBTJYWPDGFGK-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001393569831 993092207 /nfs/dbraw/zinc/09/22/07/993092207.db2.gz NVDWZEAKKUTIPL-OKILXGFUSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001393569831 993092215 /nfs/dbraw/zinc/09/22/15/993092215.db2.gz NVDWZEAKKUTIPL-OKILXGFUSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001393620130 993133493 /nfs/dbraw/zinc/13/34/93/993133493.db2.gz SEDIRZFCUNMHBU-HUUCEWRRSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)C[NH2+][C@]1(CO)CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001393696838 993185386 /nfs/dbraw/zinc/18/53/86/993185386.db2.gz OCWLQYHJWZEKES-DOTOQJQBSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001393814836 993274255 /nfs/dbraw/zinc/27/42/55/993274255.db2.gz HSBWLICWIVMDMD-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@@H](C)C(N)=O ZINC001393833393 993285715 /nfs/dbraw/zinc/28/57/15/993285715.db2.gz ZVIBFMOATDZRGF-STQMWFEESA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393996599 993400349 /nfs/dbraw/zinc/40/03/49/993400349.db2.gz MOMWHDQTUDMRSW-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC(C)(C)CNCc1ccn(C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001394025664 993416279 /nfs/dbraw/zinc/41/62/79/993416279.db2.gz MLKRMDSGQBFNMU-AWEZNQCLSA-N 1 3 321.469 0.946 20 0 DCADHO CN(CC(C)(C)CNCc1ccn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394025664 993416280 /nfs/dbraw/zinc/41/62/80/993416280.db2.gz MLKRMDSGQBFNMU-AWEZNQCLSA-N 1 3 321.469 0.946 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)CC[N@H+](C)CC)C1)N(C)C ZINC001394031477 993420487 /nfs/dbraw/zinc/42/04/87/993420487.db2.gz YBLPFEGINJLBPD-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)CC[N@@H+](C)CC)C1)N(C)C ZINC001394031477 993420495 /nfs/dbraw/zinc/42/04/95/993420495.db2.gz YBLPFEGINJLBPD-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001394532033 993805224 /nfs/dbraw/zinc/80/52/24/993805224.db2.gz YCZJDBCHGFATJG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001394532033 993805232 /nfs/dbraw/zinc/80/52/32/993805232.db2.gz YCZJDBCHGFATJG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1 ZINC001394561052 993830363 /nfs/dbraw/zinc/83/03/63/993830363.db2.gz UBXMVJFNGHVEGD-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CCC[NH+](C)C ZINC001394665146 993992541 /nfs/dbraw/zinc/99/25/41/993992541.db2.gz DHMQUICWYBZCIZ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H]([NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001400110730 994162252 /nfs/dbraw/zinc/16/22/52/994162252.db2.gz RMDIZDJIOISVIV-BXUZGUMPSA-N 1 3 321.425 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CC[N@@H+]1C ZINC001394825067 994188351 /nfs/dbraw/zinc/18/83/51/994188351.db2.gz ZPFNZBMEQRGGGM-YNEHKIRRSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CC[N@H+]1C ZINC001394825067 994188360 /nfs/dbraw/zinc/18/83/60/994188360.db2.gz ZPFNZBMEQRGGGM-YNEHKIRRSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](O)CCCN1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001400507863 994599517 /nfs/dbraw/zinc/59/95/17/994599517.db2.gz BONOKFAOPSQUAC-CQSZACIVSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001395663694 994848357 /nfs/dbraw/zinc/84/83/57/994848357.db2.gz QHVKAXDODUBIHV-DZGCQCFKSA-N 1 3 314.474 0.487 20 0 DCADHO CCN(C(=O)COC1CC[NH+](C)CC1)[C@H]1CCN(CCO)C1 ZINC001400770825 994901128 /nfs/dbraw/zinc/90/11/28/994901128.db2.gz VCNJLVUBMOCUJV-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001507037280 1015910520 /nfs/dbraw/zinc/91/05/20/1015910520.db2.gz SIJDBFFZJKCINQ-GJZGRUSLSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCCC1)N(C)C ZINC001400961949 995088914 /nfs/dbraw/zinc/08/89/14/995088914.db2.gz ZYEAUSFYOCCFPW-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001400995181 995107483 /nfs/dbraw/zinc/10/74/83/995107483.db2.gz LGVWAOZZLHRVDL-VBQJREDUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@](C)(CNCC(=O)NC)C2CC2)CC[N@H+]1C ZINC001400995181 995107490 /nfs/dbraw/zinc/10/74/90/995107490.db2.gz LGVWAOZZLHRVDL-VBQJREDUSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001401089461 995166579 /nfs/dbraw/zinc/16/65/79/995166579.db2.gz XVSIIAMWOQSICE-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001396522990 995448448 /nfs/dbraw/zinc/44/84/48/995448448.db2.gz MOIRTXQVXBYRNU-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001396522990 995448452 /nfs/dbraw/zinc/44/84/52/995448452.db2.gz MOIRTXQVXBYRNU-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001507074815 1015959067 /nfs/dbraw/zinc/95/90/67/1015959067.db2.gz WVVXZBXIPSDURA-RISCZKNCSA-N 1 3 320.441 0.391 20 0 DCADHO COCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001502573381 1015978658 /nfs/dbraw/zinc/97/86/58/1015978658.db2.gz NXHGPKRPOZHICP-HOCLYGCPSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001507129375 1016008803 /nfs/dbraw/zinc/00/88/03/1016008803.db2.gz XJVVMMOUTSEAQD-QWHCGFSZSA-N 1 3 314.474 0.665 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCc1cncn1C ZINC001507128274 1016009663 /nfs/dbraw/zinc/00/96/63/1016009663.db2.gz UGXWZGPSKYIGJE-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCc1cncn1C ZINC001507128274 1016009678 /nfs/dbraw/zinc/00/96/78/1016009678.db2.gz UGXWZGPSKYIGJE-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001397831273 996195763 /nfs/dbraw/zinc/19/57/63/996195763.db2.gz PVQAKBAOOJIONV-LLVKDONJSA-N 1 3 309.414 0.223 20 0 DCADHO CN(C)C1(C(=O)N(C)CCNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001397953707 996276814 /nfs/dbraw/zinc/27/68/14/996276814.db2.gz ZNZQKTGFPLYFPA-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O)CC1 ZINC001507144144 1016027548 /nfs/dbraw/zinc/02/75/48/1016027548.db2.gz XNFOZQNFMDCYLS-STQMWFEESA-N 1 3 312.458 0.417 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001398170587 996397592 /nfs/dbraw/zinc/39/75/92/996397592.db2.gz IJUXXIPQAOXPHV-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001398170587 996397596 /nfs/dbraw/zinc/39/75/96/996397596.db2.gz IJUXXIPQAOXPHV-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(N(C)C(=O)CN2CCCC2)CC1 ZINC001398203686 996409700 /nfs/dbraw/zinc/40/97/00/996409700.db2.gz PCDOVZUFDRNVLE-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001507149343 1016033572 /nfs/dbraw/zinc/03/35/72/1016033572.db2.gz OYVQWLPWEQUPPT-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398468419 996531630 /nfs/dbraw/zinc/53/16/30/996531630.db2.gz FRRQLNNUPUEYKJ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001398528532 996554996 /nfs/dbraw/zinc/55/49/96/996554996.db2.gz UNIMZEHESJZMBR-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001398615417 996605254 /nfs/dbraw/zinc/60/52/54/996605254.db2.gz SLZSQXDJAGLSLC-HZSPNIEDSA-N 1 3 320.441 0.426 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001398615417 996605258 /nfs/dbraw/zinc/60/52/58/996605258.db2.gz SLZSQXDJAGLSLC-HZSPNIEDSA-N 1 3 320.441 0.426 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001398753689 996673272 /nfs/dbraw/zinc/67/32/72/996673272.db2.gz DFORLDNMDJADKG-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC[N@H+]1C ZINC001398753689 996673274 /nfs/dbraw/zinc/67/32/74/996673274.db2.gz DFORLDNMDJADKG-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCc1ccnn1C ZINC001399022754 996846573 /nfs/dbraw/zinc/84/65/73/996846573.db2.gz LEJGDWXMHUCDMH-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCn1cccn1 ZINC001399031317 996862670 /nfs/dbraw/zinc/86/26/70/996862670.db2.gz PMMGPTCCPNHPGE-AWEZNQCLSA-N 1 3 309.458 0.955 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CN2CCC(C)CC2)C1=O ZINC001404320540 996975637 /nfs/dbraw/zinc/97/56/37/996975637.db2.gz DGJIFIRQURNFGL-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC001502829079 1016090775 /nfs/dbraw/zinc/09/07/75/1016090775.db2.gz NPVWBZOJTXBVJP-UONOGXRCSA-N 1 3 317.449 0.875 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC001502829079 1016090787 /nfs/dbraw/zinc/09/07/87/1016090787.db2.gz NPVWBZOJTXBVJP-UONOGXRCSA-N 1 3 317.449 0.875 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001399270810 997143619 /nfs/dbraw/zinc/14/36/19/997143619.db2.gz PRELSZJIGGRETL-HUUCEWRRSA-N 1 3 322.457 0.637 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001404547774 997228189 /nfs/dbraw/zinc/22/81/89/997228189.db2.gz LUGTWBIHYVNTRX-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001404547774 997228201 /nfs/dbraw/zinc/22/82/01/997228201.db2.gz LUGTWBIHYVNTRX-HNNXBMFYSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001404647242 997328222 /nfs/dbraw/zinc/32/82/22/997328222.db2.gz ITOIDJJFGFCGGO-IHRRRGAJSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cnc(C)nc1 ZINC001405349785 998140208 /nfs/dbraw/zinc/14/02/08/998140208.db2.gz RRZJPMMJEYHPQE-HUUCEWRRSA-N 1 3 305.426 0.721 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cnc(C)nc1 ZINC001405349785 998140216 /nfs/dbraw/zinc/14/02/16/998140216.db2.gz RRZJPMMJEYHPQE-HUUCEWRRSA-N 1 3 305.426 0.721 20 0 DCADHO CNC(=O)C[NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001405433951 998225781 /nfs/dbraw/zinc/22/57/81/998225781.db2.gz JDHVMAXTANAOKT-INIZCTEOSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC001467812355 1016200596 /nfs/dbraw/zinc/20/05/96/1016200596.db2.gz PDXFLZIXEFHZLN-JYJNAYRXSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC001467812355 1016200601 /nfs/dbraw/zinc/20/06/01/1016200601.db2.gz PDXFLZIXEFHZLN-JYJNAYRXSA-N 1 3 309.454 0.774 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001405772557 998551066 /nfs/dbraw/zinc/55/10/66/998551066.db2.gz HEPFMSUGJYJQLW-CYBMUJFWSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001405772557 998551076 /nfs/dbraw/zinc/55/10/76/998551076.db2.gz HEPFMSUGJYJQLW-CYBMUJFWSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001405776024 998552294 /nfs/dbraw/zinc/55/22/94/998552294.db2.gz RSOFFJVJMDXPNU-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001405776024 998552305 /nfs/dbraw/zinc/55/23/05/998552305.db2.gz RSOFFJVJMDXPNU-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3cnnn3C)C2)CCC1 ZINC001505501735 1016276576 /nfs/dbraw/zinc/27/65/76/1016276576.db2.gz HMORALSZOHICJI-UHFFFAOYSA-N 1 3 320.441 0.284 20 0 DCADHO C[C@@H]([NH2+]CCN1CCCC1=O)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001505621257 1016361894 /nfs/dbraw/zinc/36/18/94/1016361894.db2.gz FJKVCPQSHDMRTC-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccn(C)c(=O)c1 ZINC001418490764 1000278752 /nfs/dbraw/zinc/27/87/52/1000278752.db2.gz RCKCNADPRJOLHK-UHFFFAOYSA-N 1 3 320.437 0.275 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001401258781 1000315562 /nfs/dbraw/zinc/31/55/62/1000315562.db2.gz UOYPDJSDSFKCAZ-GXTWGEPZSA-N 1 3 312.458 0.384 20 0 DCADHO Cc1noc(CCCN2CCC[C@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001418633659 1000409770 /nfs/dbraw/zinc/40/97/70/1000409770.db2.gz YZSIMLZOOLHHEI-AWEZNQCLSA-N 1 3 323.441 0.843 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1)C1CCC1 ZINC001401547908 1000483883 /nfs/dbraw/zinc/48/38/83/1000483883.db2.gz IATDVPHYVROSSO-MRXNPFEDSA-N 1 3 305.422 0.738 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(C(C)C)C1=O)C(=O)[C@@H]1CCCN1C ZINC001401600942 1000535912 /nfs/dbraw/zinc/53/59/12/1000535912.db2.gz UBBCSYHFVHPNFQ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001418813024 1000540882 /nfs/dbraw/zinc/54/08/82/1000540882.db2.gz KPWGENLAUUWYOP-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001418820970 1000548703 /nfs/dbraw/zinc/54/87/03/1000548703.db2.gz BIBILEHCKAZOFE-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC[NH2+][C@@H]1CCN(C2CCC2)C1=O)C(=O)CN1CCCC1 ZINC001418836206 1000560470 /nfs/dbraw/zinc/56/04/70/1000560470.db2.gz XTYIZGYWYVXRJJ-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001401640067 1000579387 /nfs/dbraw/zinc/57/93/87/1000579387.db2.gz PSNKYYAUYZNDSM-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001401676816 1000617049 /nfs/dbraw/zinc/61/70/49/1000617049.db2.gz XZWUJQCPLVKHFO-CHWSQXEVSA-N 1 3 320.437 0.591 20 0 DCADHO CO[C@@H](C)CN1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001419066324 1000739696 /nfs/dbraw/zinc/73/96/96/1000739696.db2.gz NNDCTZJUEDIATQ-KBPBESRZSA-N 1 3 313.442 0.323 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001401862152 1000795587 /nfs/dbraw/zinc/79/55/87/1000795587.db2.gz FFAFZJVHEHULED-DOMZBBRYSA-N 1 3 306.410 0.782 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)C(C)(C)N1CCCCC1)C1CC1 ZINC001419249914 1000919144 /nfs/dbraw/zinc/91/91/44/1000919144.db2.gz JUKQTCYRIYVGIM-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+][C@H]2CCCNC2=O)C2CC2)CCC1 ZINC001419259945 1000926253 /nfs/dbraw/zinc/92/62/53/1000926253.db2.gz IPTCHBFPSXSOCP-KBPBESRZSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](O)C[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001401983922 1000926840 /nfs/dbraw/zinc/92/68/40/1000926840.db2.gz DEWZBPSQDVIANE-CYBMUJFWSA-N 1 3 305.422 0.981 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1cnnn1C ZINC001419263515 1000931162 /nfs/dbraw/zinc/93/11/62/1000931162.db2.gz RCAOXHAAPHXIIN-GXTWGEPZSA-N 1 3 310.446 0.386 20 0 DCADHO Cn1cc(CN[C@@H](CNC(=O)C2CC[NH+](C)CC2)C2CC2)cn1 ZINC001419293701 1000954311 /nfs/dbraw/zinc/95/43/11/1000954311.db2.gz WDSBAJLTCWQFQZ-INIZCTEOSA-N 1 3 319.453 0.746 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402047071 1000972268 /nfs/dbraw/zinc/97/22/68/1000972268.db2.gz AZCRKEHJFNMBII-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001402047071 1000972272 /nfs/dbraw/zinc/97/22/72/1000972272.db2.gz AZCRKEHJFNMBII-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](NCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001419326396 1000977922 /nfs/dbraw/zinc/97/79/22/1000977922.db2.gz OVHSVJSAHDPVQT-ZFWWWQNUSA-N 1 3 310.442 0.077 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1)CC(C)(C)C ZINC001419410537 1001029042 /nfs/dbraw/zinc/02/90/42/1001029042.db2.gz DBDVTHPUMBKKNP-JOCQHMNTSA-N 1 3 322.457 0.530 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001419432471 1001044797 /nfs/dbraw/zinc/04/47/97/1001044797.db2.gz PTCKDDHREYBXIE-IHRRRGAJSA-N 1 3 310.442 0.184 20 0 DCADHO Cn1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1=O ZINC001402186057 1001094789 /nfs/dbraw/zinc/09/47/89/1001094789.db2.gz LQOKKWIWFBBMRA-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO C[C@H](F)CC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001402281847 1001174871 /nfs/dbraw/zinc/17/48/71/1001174871.db2.gz XJMRTQJWKFOGJX-BBRMVZONSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001402281847 1001174874 /nfs/dbraw/zinc/17/48/74/1001174874.db2.gz XJMRTQJWKFOGJX-BBRMVZONSA-N 1 3 315.433 0.772 20 0 DCADHO Cc1ncc(CN[C@@H](C)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001419743673 1001271894 /nfs/dbraw/zinc/27/18/94/1001271894.db2.gz SYCCLMWNSKOCLS-LRDDRELGSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001419744205 1001272060 /nfs/dbraw/zinc/27/20/60/1001272060.db2.gz KKHLVOFGECRIRG-DOMZBBRYSA-N 1 3 305.426 0.673 20 0 DCADHO Cc1ncc(CNC[C@@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001419744205 1001272063 /nfs/dbraw/zinc/27/20/63/1001272063.db2.gz KKHLVOFGECRIRG-DOMZBBRYSA-N 1 3 305.426 0.673 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001402402739 1001281585 /nfs/dbraw/zinc/28/15/85/1001281585.db2.gz JOILCPGZVINXDE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001402402739 1001281588 /nfs/dbraw/zinc/28/15/88/1001281588.db2.gz JOILCPGZVINXDE-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001402409753 1001285525 /nfs/dbraw/zinc/28/55/25/1001285525.db2.gz KXCIXOBTBBCOQN-KBPBESRZSA-N 1 3 312.458 0.099 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001419773151 1001296519 /nfs/dbraw/zinc/29/65/19/1001296519.db2.gz VTTNCVHIWMUAAJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001419791031 1001311694 /nfs/dbraw/zinc/31/16/94/1001311694.db2.gz LNXJUYJAKJLFOK-ZDUSSCGKSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001419817708 1001331644 /nfs/dbraw/zinc/33/16/44/1001331644.db2.gz IMTILDWWDZWTPJ-JSGCOSHPSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H](C)C(=O)N(C)C ZINC001419867598 1001369039 /nfs/dbraw/zinc/36/90/39/1001369039.db2.gz MLTIEDOELYPUAL-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001419879233 1001378722 /nfs/dbraw/zinc/37/87/22/1001378722.db2.gz OLBZNRSCKKYMFM-CHWSQXEVSA-N 1 3 320.437 0.591 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001402528006 1001386227 /nfs/dbraw/zinc/38/62/27/1001386227.db2.gz GANUETSYGKZHLB-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419897607 1001393786 /nfs/dbraw/zinc/39/37/86/1001393786.db2.gz LYOBHRJNWWQDEH-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419897607 1001393792 /nfs/dbraw/zinc/39/37/92/1001393792.db2.gz LYOBHRJNWWQDEH-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC2(NCC(N)=O)CCC2)CCCCC1 ZINC001402558709 1001407612 /nfs/dbraw/zinc/40/76/12/1001407612.db2.gz FZUDCDGRUZDDIC-UHFFFAOYSA-N 1 3 324.469 0.612 20 0 DCADHO CC[C@@H](F)CNC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001402605021 1001435729 /nfs/dbraw/zinc/43/57/29/1001435729.db2.gz OAVBZLIHPFFJKA-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO CN1CCC[C@@H](N2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001402624868 1001447202 /nfs/dbraw/zinc/44/72/02/1001447202.db2.gz OCIYJUYKWIMBCX-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001505727951 1016498321 /nfs/dbraw/zinc/49/83/21/1016498321.db2.gz JNOKXASCLPDEMY-NEPJUHHUSA-N 1 3 310.442 0.077 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001402776222 1001498181 /nfs/dbraw/zinc/49/81/81/1001498181.db2.gz UUDJQRJWSMJRNY-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001402886956 1001556818 /nfs/dbraw/zinc/55/68/18/1001556818.db2.gz PSTKHKLLJAQXHM-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001402886956 1001556823 /nfs/dbraw/zinc/55/68/23/1001556823.db2.gz PSTKHKLLJAQXHM-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001402991164 1001621446 /nfs/dbraw/zinc/62/14/46/1001621446.db2.gz FQSOMZBHDOPXQU-OLZOCXBDSA-N 1 3 312.458 0.478 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001403018694 1001635124 /nfs/dbraw/zinc/63/51/24/1001635124.db2.gz UEBXNYJDSCKPSC-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001403079288 1001664036 /nfs/dbraw/zinc/66/40/36/1001664036.db2.gz JEGBFRWFBHOCJK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001403079288 1001664038 /nfs/dbraw/zinc/66/40/38/1001664038.db2.gz JEGBFRWFBHOCJK-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001403155418 1001698169 /nfs/dbraw/zinc/69/81/69/1001698169.db2.gz CRKUPZQZNOJJSM-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001403238863 1001756240 /nfs/dbraw/zinc/75/62/40/1001756240.db2.gz DSCHJZPPLQKEDT-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001420087731 1001831445 /nfs/dbraw/zinc/83/14/45/1001831445.db2.gz NOOLFISBQRSWJU-GXTWGEPZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cc2n(n1)CCC2 ZINC001420165208 1001961895 /nfs/dbraw/zinc/96/18/95/1001961895.db2.gz UBEHLNJJGHXZNG-KGLIPLIRSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cc2n(n1)CCC2 ZINC001420165208 1001961898 /nfs/dbraw/zinc/96/18/98/1001961898.db2.gz UBEHLNJJGHXZNG-KGLIPLIRSA-N 1 3 319.453 0.765 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1cncn1C)[NH+](C)C ZINC001403555670 1002132797 /nfs/dbraw/zinc/13/27/97/1002132797.db2.gz KAHKYSIWFNWZKG-ZFWWWQNUSA-N 1 3 309.458 0.943 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)C1 ZINC001505804600 1016573434 /nfs/dbraw/zinc/57/34/34/1016573434.db2.gz MTWPMVMXHTZSMC-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)C1 ZINC001505804600 1016573447 /nfs/dbraw/zinc/57/34/47/1016573447.db2.gz MTWPMVMXHTZSMC-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccnn1C)N(C)C ZINC001424961741 1002188275 /nfs/dbraw/zinc/18/82/75/1002188275.db2.gz HICVIQNGPZLWGG-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001424961741 1002188278 /nfs/dbraw/zinc/18/82/78/1002188278.db2.gz HICVIQNGPZLWGG-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)NC1CCCC1 ZINC001403608440 1002203613 /nfs/dbraw/zinc/20/36/13/1002203613.db2.gz ZCRMAUSIWJXYNU-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1)C1CC1 ZINC001403625336 1002226991 /nfs/dbraw/zinc/22/69/91/1002226991.db2.gz HODSSFKJXKGYPM-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420364686 1002284536 /nfs/dbraw/zinc/28/45/36/1002284536.db2.gz HPGBUCPCVMHBES-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420364686 1002284545 /nfs/dbraw/zinc/28/45/45/1002284545.db2.gz HPGBUCPCVMHBES-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001508004713 1016609959 /nfs/dbraw/zinc/60/99/59/1016609959.db2.gz VPUDJFDOXYJGGK-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CC[N@@H+]1C ZINC001508002706 1016611118 /nfs/dbraw/zinc/61/11/18/1016611118.db2.gz CQCNAOMKKAFKTL-RWMBFGLXSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)CC[N@H+]1C ZINC001508002706 1016611125 /nfs/dbraw/zinc/61/11/25/1016611125.db2.gz CQCNAOMKKAFKTL-RWMBFGLXSA-N 1 3 312.458 0.323 20 0 DCADHO CC[C@H](NC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001420431864 1002410989 /nfs/dbraw/zinc/41/09/89/1002410989.db2.gz DETQOJJTUQENPB-STQMWFEESA-N 1 3 310.442 0.221 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001508031553 1016617619 /nfs/dbraw/zinc/61/76/19/1016617619.db2.gz XKTOUNVKXWZZQM-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001508031553 1016617625 /nfs/dbraw/zinc/61/76/25/1016617625.db2.gz XKTOUNVKXWZZQM-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001420443909 1002428992 /nfs/dbraw/zinc/42/89/92/1002428992.db2.gz KEQTXQJINVBPAG-ZDUSSCGKSA-N 1 3 305.426 0.643 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)CC(F)(F)F ZINC001403765103 1002489727 /nfs/dbraw/zinc/48/97/27/1002489727.db2.gz ABRCKWJSRTYUOV-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)CC(F)(F)F ZINC001403765103 1002489733 /nfs/dbraw/zinc/48/97/33/1002489733.db2.gz ABRCKWJSRTYUOV-GHMZBOCLSA-N 1 3 311.348 0.299 20 0 DCADHO CCn1cc(CCN2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001420497966 1002507356 /nfs/dbraw/zinc/50/73/56/1002507356.db2.gz JVZQNVHYGWOLSJ-MRXNPFEDSA-N 1 3 321.469 0.978 20 0 DCADHO CC(C)NC(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001425433729 1002671590 /nfs/dbraw/zinc/67/15/90/1002671590.db2.gz SBFNLRMPTFAOCX-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)NC(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001425433729 1002671593 /nfs/dbraw/zinc/67/15/93/1002671593.db2.gz SBFNLRMPTFAOCX-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001425597373 1002871666 /nfs/dbraw/zinc/87/16/66/1002871666.db2.gz DROODGXHRQLTNI-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1C[C@H]1CCc2ncnn21 ZINC001404010664 1002899749 /nfs/dbraw/zinc/89/97/49/1002899749.db2.gz OXLNTTIVZJNAHD-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC001404012437 1002902973 /nfs/dbraw/zinc/90/29/73/1002902973.db2.gz BPUJNWOFYJIVDH-UHFFFAOYSA-N 1 3 308.430 0.197 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CCCCC1 ZINC001420769176 1002931028 /nfs/dbraw/zinc/93/10/28/1002931028.db2.gz UMUKZTZEQQHSME-AWEZNQCLSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001425655625 1002933685 /nfs/dbraw/zinc/93/36/85/1002933685.db2.gz LEUXMWBILTXBTJ-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001425672292 1002946532 /nfs/dbraw/zinc/94/65/32/1002946532.db2.gz CCLIKRSKDWXJTL-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN1CCN(CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001420893106 1003100872 /nfs/dbraw/zinc/10/08/72/1003100872.db2.gz IQOMFTNDFUGYRF-QGZVFWFLSA-N 1 3 322.497 0.814 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001405819784 1003108095 /nfs/dbraw/zinc/10/80/95/1003108095.db2.gz BSMXBLQZOSLYFZ-STQMWFEESA-N 1 3 324.469 0.574 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC(NC(=O)CC[NH+](C)C)C1 ZINC001405818737 1003108436 /nfs/dbraw/zinc/10/84/36/1003108436.db2.gz SFEQJNIIUUTLHL-RUXDESIVSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405821676 1003110205 /nfs/dbraw/zinc/11/02/05/1003110205.db2.gz FFOCDCVAOXHSRS-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405879841 1003169596 /nfs/dbraw/zinc/16/95/96/1003169596.db2.gz ATWHCOLBFBQBCA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405879841 1003169601 /nfs/dbraw/zinc/16/96/01/1003169601.db2.gz ATWHCOLBFBQBCA-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001425925484 1003259200 /nfs/dbraw/zinc/25/92/00/1003259200.db2.gz VIPYDNBLSSGRFR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001425925484 1003259209 /nfs/dbraw/zinc/25/92/09/1003259209.db2.gz VIPYDNBLSSGRFR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001425948410 1003277528 /nfs/dbraw/zinc/27/75/28/1003277528.db2.gz GFXKMCUJSRLRGM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C(C)C)N(C)C ZINC001406062519 1003312637 /nfs/dbraw/zinc/31/26/37/1003312637.db2.gz JCCHXNNNHPOKCG-OLZOCXBDSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001421273180 1003494801 /nfs/dbraw/zinc/49/48/01/1003494801.db2.gz WLVNCCCEEAEBOS-RHSMWYFYSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001421317047 1003533285 /nfs/dbraw/zinc/53/32/85/1003533285.db2.gz GJAXAVYWXFJECQ-ZDUSSCGKSA-N 1 3 321.412 0.784 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001421317047 1003533288 /nfs/dbraw/zinc/53/32/88/1003533288.db2.gz GJAXAVYWXFJECQ-ZDUSSCGKSA-N 1 3 321.412 0.784 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1cc(F)cc(F)c1 ZINC001406259605 1003538398 /nfs/dbraw/zinc/53/83/98/1003538398.db2.gz PZHNDFFHOQOGNL-AWEZNQCLSA-N 1 3 315.364 0.483 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001421358293 1003585139 /nfs/dbraw/zinc/58/51/39/1003585139.db2.gz BWURVPOSHCELBH-BBRMVZONSA-N 1 3 313.442 0.059 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001421358293 1003585141 /nfs/dbraw/zinc/58/51/41/1003585141.db2.gz BWURVPOSHCELBH-BBRMVZONSA-N 1 3 313.442 0.059 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001406325037 1003606949 /nfs/dbraw/zinc/60/69/49/1003606949.db2.gz HOGNWGNXVKNRSY-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001426162839 1003629250 /nfs/dbraw/zinc/62/92/50/1003629250.db2.gz KIOIODOECGXRJE-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001426234477 1003668416 /nfs/dbraw/zinc/66/84/16/1003668416.db2.gz GUNWQZXQFIFDJD-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001492952646 1003774476 /nfs/dbraw/zinc/77/44/76/1003774476.db2.gz KCNQNEUABHZBOE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001492952646 1003774481 /nfs/dbraw/zinc/77/44/81/1003774481.db2.gz KCNQNEUABHZBOE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001406768470 1004075614 /nfs/dbraw/zinc/07/56/14/1004075614.db2.gz DTVRSXVYLXYQIU-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001426864704 1004097686 /nfs/dbraw/zinc/09/76/86/1004097686.db2.gz FHOWTOKTISTKII-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001426864704 1004097697 /nfs/dbraw/zinc/09/76/97/1004097697.db2.gz FHOWTOKTISTKII-SOUVJXGZSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@H]3CCCN(C)C3=O)CC2)CC[N@@H+]1C ZINC001406934662 1004236715 /nfs/dbraw/zinc/23/67/15/1004236715.db2.gz LCXYYHXFAWOBDN-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@H]3CCCN(C)C3=O)CC2)CC[N@H+]1C ZINC001406934662 1004236719 /nfs/dbraw/zinc/23/67/19/1004236719.db2.gz LCXYYHXFAWOBDN-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001407110359 1004391851 /nfs/dbraw/zinc/39/18/51/1004391851.db2.gz SLDSPGBKAVEXOC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001407110355 1004392077 /nfs/dbraw/zinc/39/20/77/1004392077.db2.gz SLDSPGBKAVEXOC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)N1CCC1)C1CCCC1 ZINC001407153155 1004425106 /nfs/dbraw/zinc/42/51/06/1004425106.db2.gz ORLWVCXTLOZXOV-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001429250511 1004482923 /nfs/dbraw/zinc/48/29/23/1004482923.db2.gz PRNCGJNMGYIFEJ-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001427736325 1004564935 /nfs/dbraw/zinc/56/49/35/1004564935.db2.gz RCWKCCVEOUOEQJ-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001429385433 1004566078 /nfs/dbraw/zinc/56/60/78/1004566078.db2.gz KFDVRWMMLYVSJT-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2)N(C)C ZINC001429409072 1004580636 /nfs/dbraw/zinc/58/06/36/1004580636.db2.gz RGXVZXJBEKMIPZ-BARDWOONSA-N 1 3 324.469 0.526 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](C/C=C/Cl)C1 ZINC001407367233 1004596578 /nfs/dbraw/zinc/59/65/78/1004596578.db2.gz CVYIFCREUURLDT-YFOKADDASA-N 1 3 315.845 0.776 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](C/C=C/Cl)C1 ZINC001407367233 1004596584 /nfs/dbraw/zinc/59/65/84/1004596584.db2.gz CVYIFCREUURLDT-YFOKADDASA-N 1 3 315.845 0.776 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001429482073 1004624438 /nfs/dbraw/zinc/62/44/38/1004624438.db2.gz OZUUKRABQAONAN-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001429482073 1004624444 /nfs/dbraw/zinc/62/44/44/1004624444.db2.gz OZUUKRABQAONAN-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001408300946 1005149570 /nfs/dbraw/zinc/14/95/70/1005149570.db2.gz ZHZHLZAUTWSBRX-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CN1CCC(C)(C)C1 ZINC001415259016 1005490950 /nfs/dbraw/zinc/49/09/50/1005490950.db2.gz UIMZFEBNIQXRNV-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001415519551 1005552884 /nfs/dbraw/zinc/55/28/84/1005552884.db2.gz RLIMCQIMRMHFNN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001415519551 1005552887 /nfs/dbraw/zinc/55/28/87/1005552887.db2.gz RLIMCQIMRMHFNN-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001417797125 1005892969 /nfs/dbraw/zinc/89/29/69/1005892969.db2.gz DOABDZDXHKTIBN-AAVRWANBSA-N 1 3 310.442 0.090 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)N2CCCC2)C2CC2)C1 ZINC001418013690 1005955184 /nfs/dbraw/zinc/95/51/84/1005955184.db2.gz IGUWSAQIABTOOF-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)N2CCCC2)C2CC2)C1 ZINC001418013690 1005955186 /nfs/dbraw/zinc/95/51/86/1005955186.db2.gz IGUWSAQIABTOOF-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H](O)C3)CC2)CC1 ZINC001434769867 1005963621 /nfs/dbraw/zinc/96/36/21/1005963621.db2.gz ZKMVTWLPTREUCA-OTVXOJSOSA-N 1 3 310.442 0.368 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)NC(C)(C)C ZINC001438696791 1006042931 /nfs/dbraw/zinc/04/29/31/1006042931.db2.gz DGIUZESRGHBRAR-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC(=O)NC(C)(C)C ZINC001438696791 1006042946 /nfs/dbraw/zinc/04/29/46/1006042946.db2.gz DGIUZESRGHBRAR-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001418111510 1006055001 /nfs/dbraw/zinc/05/50/01/1006055001.db2.gz BNZKAKMSFPMSAO-OKILXGFUSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1nc(CN[C@@H](C)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001418225591 1006202110 /nfs/dbraw/zinc/20/21/10/1006202110.db2.gz IYBJSMNSZVXTHP-GXFFZTMASA-N 1 3 306.414 0.049 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001436474400 1006203811 /nfs/dbraw/zinc/20/38/11/1006203811.db2.gz HHDZAHFJDGVDKZ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001436474400 1006203817 /nfs/dbraw/zinc/20/38/17/1006203817.db2.gz HHDZAHFJDGVDKZ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCc1ccnn1C ZINC001418228690 1006206945 /nfs/dbraw/zinc/20/69/45/1006206945.db2.gz GQUQFGGFSOYKCP-GOEBONIOSA-N 1 3 321.469 0.931 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001436824303 1006393787 /nfs/dbraw/zinc/39/37/87/1006393787.db2.gz DUUJQCAOCZXPAQ-IUODEOHRSA-N 1 3 322.453 0.091 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001436824303 1006393798 /nfs/dbraw/zinc/39/37/98/1006393798.db2.gz DUUJQCAOCZXPAQ-IUODEOHRSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001436842760 1006416442 /nfs/dbraw/zinc/41/64/42/1006416442.db2.gz OMOMTTDOHQQYKY-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001436864958 1006424262 /nfs/dbraw/zinc/42/42/62/1006424262.db2.gz ZNGXEVGHZXLABB-KBPBESRZSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001418361071 1006425824 /nfs/dbraw/zinc/42/58/24/1006425824.db2.gz RDBQDTVZHSIXMG-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001436907299 1006447961 /nfs/dbraw/zinc/44/79/61/1006447961.db2.gz BEADJJQXOAJECI-HAQNSBGRSA-N 1 3 322.457 0.791 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001439111947 1006483779 /nfs/dbraw/zinc/48/37/79/1006483779.db2.gz VBKDSECRMWULSK-ZIAGYGMSSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001439111947 1006483788 /nfs/dbraw/zinc/48/37/88/1006483788.db2.gz VBKDSECRMWULSK-ZIAGYGMSSA-N 1 3 312.458 0.478 20 0 DCADHO COc1cc(CN[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)sn1 ZINC001436967486 1006488092 /nfs/dbraw/zinc/48/80/92/1006488092.db2.gz WXPWQWNOAAMTDU-PHIMTYICSA-N 1 3 312.439 0.840 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001436976925 1006494797 /nfs/dbraw/zinc/49/47/97/1006494797.db2.gz QADGMPWRSTXDQZ-HZSPNIEDSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001439142034 1006507593 /nfs/dbraw/zinc/50/75/93/1006507593.db2.gz DXLKJVSBURTMBS-RFGFWPKPSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439142034 1006507605 /nfs/dbraw/zinc/50/76/05/1006507605.db2.gz DXLKJVSBURTMBS-RFGFWPKPSA-N 1 3 324.469 0.478 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001437129366 1006625940 /nfs/dbraw/zinc/62/59/40/1006625940.db2.gz JIFNQAJLLWTBJZ-UKRRQHHQSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)CC1CC[NH+](C)CC1 ZINC001439258334 1006631777 /nfs/dbraw/zinc/63/17/77/1006631777.db2.gz PQEXEYBVVPVVQV-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001439274396 1006646004 /nfs/dbraw/zinc/64/60/04/1006646004.db2.gz LZIRIKBVCFJKFU-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCC(=O)N1CCCCC1 ZINC001437245917 1006761619 /nfs/dbraw/zinc/76/16/19/1006761619.db2.gz LZANAZAHMAMQLG-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCC(=O)N1CCCCC1 ZINC001437245917 1006761634 /nfs/dbraw/zinc/76/16/34/1006761634.db2.gz LZANAZAHMAMQLG-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN[C@H](C)c2nncn2C)C1 ZINC001437312262 1006830787 /nfs/dbraw/zinc/83/07/87/1006830787.db2.gz QWLUEWGPRFGLMG-ZIAGYGMSSA-N 1 3 322.457 0.656 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN[C@H](C)c2nncn2C)C1 ZINC001437312262 1006830804 /nfs/dbraw/zinc/83/08/04/1006830804.db2.gz QWLUEWGPRFGLMG-ZIAGYGMSSA-N 1 3 322.457 0.656 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCn1cccn1 ZINC001437419488 1006934974 /nfs/dbraw/zinc/93/49/74/1006934974.db2.gz CIZHIRPZZWBWKJ-GFCCVEGCSA-N 1 3 304.398 0.642 20 0 DCADHO C[NH+]1CCC(CC(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC1 ZINC001439658093 1007114598 /nfs/dbraw/zinc/11/45/98/1007114598.db2.gz OKRVATDNDHFCAE-CQSZACIVSA-N 1 3 322.453 0.235 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1(N[C@H]2CCCN(C)C2=O)CC1 ZINC001439662198 1007120550 /nfs/dbraw/zinc/12/05/50/1007120550.db2.gz JUPXWRXBYSNVQN-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1(N[C@H]2CCCN(C)C2=O)CC1 ZINC001439662198 1007120552 /nfs/dbraw/zinc/12/05/52/1007120552.db2.gz JUPXWRXBYSNVQN-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001452963227 1007172764 /nfs/dbraw/zinc/17/27/64/1007172764.db2.gz UQPKXKDJQIIZJC-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001452963227 1007172768 /nfs/dbraw/zinc/17/27/68/1007172768.db2.gz UQPKXKDJQIIZJC-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1C[C@H](NCc2nccn2C)CCN1C(=O)CC[NH+](C)C ZINC001439775700 1007189252 /nfs/dbraw/zinc/18/92/52/1007189252.db2.gz SPBLAIYBXLZPAG-UONOGXRCSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001437733796 1007331846 /nfs/dbraw/zinc/33/18/46/1007331846.db2.gz APAVUXSHLGBXLI-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCO)C1 ZINC001437895295 1007484580 /nfs/dbraw/zinc/48/45/80/1007484580.db2.gz QMPXBYIYUWQIMD-CVEARBPZSA-N 1 3 309.454 0.633 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(CCCF)C2)C1 ZINC001440193790 1007571473 /nfs/dbraw/zinc/57/14/73/1007571473.db2.gz NYEDDULMRWJNND-ZFWWWQNUSA-N 1 3 301.406 0.241 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCCN(CCCF)C2)C1 ZINC001440193790 1007571485 /nfs/dbraw/zinc/57/14/85/1007571485.db2.gz NYEDDULMRWJNND-ZFWWWQNUSA-N 1 3 301.406 0.241 20 0 DCADHO CN(CC(=O)NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1)C1CCC1 ZINC001438128113 1007654342 /nfs/dbraw/zinc/65/43/42/1007654342.db2.gz LFCASAOMUUFYCI-MAUKXSAKSA-N 1 3 321.465 0.945 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1ccnn1C ZINC001438369582 1007863568 /nfs/dbraw/zinc/86/35/68/1007863568.db2.gz DAVRWNCIYLQGOI-ZDUSSCGKSA-N 1 3 305.426 0.500 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@](C)(C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001438420343 1007895288 /nfs/dbraw/zinc/89/52/88/1007895288.db2.gz JNHSDOXTGMKLGL-GUYCJALGSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001438502841 1007954666 /nfs/dbraw/zinc/95/46/66/1007954666.db2.gz YEYMKPSRICOJBH-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)CC1 ZINC001441471975 1008367676 /nfs/dbraw/zinc/36/76/76/1008367676.db2.gz MWMUZWJFTSDCMZ-OAHLLOKOSA-N 1 3 324.469 0.419 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001441636752 1008433212 /nfs/dbraw/zinc/43/32/12/1008433212.db2.gz AJGDLVDONCOWND-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001441636752 1008433215 /nfs/dbraw/zinc/43/32/15/1008433215.db2.gz AJGDLVDONCOWND-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001441851261 1008572515 /nfs/dbraw/zinc/57/25/15/1008572515.db2.gz BMIGPDCDEJOSCJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001441851261 1008572525 /nfs/dbraw/zinc/57/25/25/1008572525.db2.gz BMIGPDCDEJOSCJ-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001421428687 1008574581 /nfs/dbraw/zinc/57/45/81/1008574581.db2.gz SYOGYMLZTLAHLY-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001421453684 1008609026 /nfs/dbraw/zinc/60/90/26/1008609026.db2.gz GUGOPBUMQQUQDY-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+][C@H]3CCNC3=O)CCCC2)C1 ZINC001421511867 1008677050 /nfs/dbraw/zinc/67/70/50/1008677050.db2.gz LJZCAISDTYAQFD-KBPBESRZSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001453886381 1008781682 /nfs/dbraw/zinc/78/16/82/1008781682.db2.gz MJAWZLHJSNGNFX-RHSMWYFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](F)CNC[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001442030275 1008838374 /nfs/dbraw/zinc/83/83/74/1008838374.db2.gz BWJWPFDSPKSOMC-CHWSQXEVSA-N 1 3 301.406 0.239 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)CCC1 ZINC001442088043 1008952128 /nfs/dbraw/zinc/95/21/28/1008952128.db2.gz LGMKKIAWRUGIHL-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCc1cn(C)nn1)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001421724481 1008988821 /nfs/dbraw/zinc/98/88/21/1008988821.db2.gz WBTHGUSJIDYTDO-ZDUSSCGKSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H]1OC(=O)N[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001433628549 1009019168 /nfs/dbraw/zinc/01/91/68/1009019168.db2.gz CKMQCKWWTUVFBC-BXUZGUMPSA-N 1 3 324.425 0.158 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421743778 1009019279 /nfs/dbraw/zinc/01/92/79/1009019279.db2.gz DULDHXKCGVGZQS-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421743778 1009019297 /nfs/dbraw/zinc/01/92/97/1009019297.db2.gz DULDHXKCGVGZQS-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001433743666 1009140267 /nfs/dbraw/zinc/14/02/67/1009140267.db2.gz SIGAOKNQRQXFCF-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001433743666 1009140275 /nfs/dbraw/zinc/14/02/75/1009140275.db2.gz SIGAOKNQRQXFCF-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001421894002 1009225207 /nfs/dbraw/zinc/22/52/07/1009225207.db2.gz HPUWABCEMWOGGK-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001421894002 1009225218 /nfs/dbraw/zinc/22/52/18/1009225218.db2.gz HPUWABCEMWOGGK-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@H]2CCNC(=O)CC2)CCC1 ZINC001442409872 1009281636 /nfs/dbraw/zinc/28/16/36/1009281636.db2.gz AORMPVUZVBFAID-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@H]2CCNC(=O)CC2)CCC1 ZINC001442409872 1009281651 /nfs/dbraw/zinc/28/16/51/1009281651.db2.gz AORMPVUZVBFAID-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001442533370 1009448868 /nfs/dbraw/zinc/44/88/68/1009448868.db2.gz AORGDOCETBFYLQ-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001442533370 1009448872 /nfs/dbraw/zinc/44/88/72/1009448872.db2.gz AORGDOCETBFYLQ-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001434171374 1009633287 /nfs/dbraw/zinc/63/32/87/1009633287.db2.gz HALPWTPAWVLKDL-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001434171374 1009633294 /nfs/dbraw/zinc/63/32/94/1009633294.db2.gz HALPWTPAWVLKDL-PBHICJAKSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422354392 1009937424 /nfs/dbraw/zinc/93/74/24/1009937424.db2.gz QHAKSZRXCASADE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)C(=O)CC[NH+](C)C)N(C)C ZINC001442948062 1009966653 /nfs/dbraw/zinc/96/66/53/1009966653.db2.gz ZBPKSFHZGFISCO-DZGCQCFKSA-N 1 3 314.474 0.487 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001422457476 1010112897 /nfs/dbraw/zinc/11/28/97/1010112897.db2.gz RMTJOHYPYZYBAR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001443096037 1010137786 /nfs/dbraw/zinc/13/77/86/1010137786.db2.gz FLWKCHIODZRDMV-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(CCCO)C1 ZINC001443191408 1010206049 /nfs/dbraw/zinc/20/60/49/1010206049.db2.gz UUYUWGMOBKNRSP-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422661884 1010465860 /nfs/dbraw/zinc/46/58/60/1010465860.db2.gz VLSUDUHOOVSFKQ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)C(=O)NC1CC1 ZINC001422673458 1010474915 /nfs/dbraw/zinc/47/49/15/1010474915.db2.gz DJQZZDAPGHUIKX-QWHCGFSZSA-N 1 3 322.453 0.376 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001443929656 1010755068 /nfs/dbraw/zinc/75/50/68/1010755068.db2.gz HMNBDYFSMSDEFY-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001443988276 1010791539 /nfs/dbraw/zinc/79/15/39/1010791539.db2.gz SNFZKZHSWIXFSL-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001423013357 1010809314 /nfs/dbraw/zinc/80/93/14/1010809314.db2.gz UGAXPIZCQQLWPX-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001423038019 1010828768 /nfs/dbraw/zinc/82/87/68/1010828768.db2.gz CLWZJGIDTFSAGR-SWLSCSKDSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001423038019 1010828773 /nfs/dbraw/zinc/82/87/73/1010828773.db2.gz CLWZJGIDTFSAGR-SWLSCSKDSA-N 1 3 320.441 0.141 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001423093003 1010882258 /nfs/dbraw/zinc/88/22/58/1010882258.db2.gz FDLJOUVGILPWLB-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001423102644 1010889458 /nfs/dbraw/zinc/88/94/58/1010889458.db2.gz IWUOJOGTFDHMHI-QWHCGFSZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1ccnn1C ZINC001423105652 1010892044 /nfs/dbraw/zinc/89/20/44/1010892044.db2.gz OKDONJZYVVRPBK-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001423107250 1010893280 /nfs/dbraw/zinc/89/32/80/1010893280.db2.gz QIIAEDVNCGAMSE-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001423153545 1010927708 /nfs/dbraw/zinc/92/77/08/1010927708.db2.gz FOOPJZMKFATAFZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001423153545 1010927712 /nfs/dbraw/zinc/92/77/12/1010927712.db2.gz FOOPJZMKFATAFZ-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNCc1nccn1C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001444374044 1010985216 /nfs/dbraw/zinc/98/52/16/1010985216.db2.gz HWNGVIFUBMEQPU-AWEZNQCLSA-N 1 3 321.469 0.994 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1)C(N)=O ZINC001423240132 1011009059 /nfs/dbraw/zinc/00/90/59/1011009059.db2.gz QSPBQVCJDJFYGM-UONOGXRCSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1)C(N)=O ZINC001423240132 1011009060 /nfs/dbraw/zinc/00/90/60/1011009060.db2.gz QSPBQVCJDJFYGM-UONOGXRCSA-N 1 3 324.469 0.609 20 0 DCADHO O=C(NC[C@H](CO)NCCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001423290397 1011048097 /nfs/dbraw/zinc/04/80/97/1011048097.db2.gz FFKQSOJUQXKOPH-SNVBAGLBSA-N 1 3 309.332 0.101 20 0 DCADHO O=C(NCC1(NCc2cccnc2)CC1)C12CC[NH+](CC1)C2 ZINC001423293302 1011053706 /nfs/dbraw/zinc/05/37/06/1011053706.db2.gz NDRKUUUJISYTLU-UHFFFAOYSA-N 1 3 300.406 0.916 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001423393698 1011121531 /nfs/dbraw/zinc/12/15/31/1011121531.db2.gz WCLDYEVBZAFJRG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001423400135 1011124053 /nfs/dbraw/zinc/12/40/53/1011124053.db2.gz HEVUWKCFIIALLR-CYBMUJFWSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001423403089 1011126528 /nfs/dbraw/zinc/12/65/28/1011126528.db2.gz MAPNZCDEBKBAMO-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001423403089 1011126529 /nfs/dbraw/zinc/12/65/29/1011126529.db2.gz MAPNZCDEBKBAMO-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCCNC(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001423406432 1011127418 /nfs/dbraw/zinc/12/74/18/1011127418.db2.gz UMIRORDFBYPOBN-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001444695033 1011135347 /nfs/dbraw/zinc/13/53/47/1011135347.db2.gz CGGCSWCSRFKLDZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001444695033 1011135350 /nfs/dbraw/zinc/13/53/50/1011135350.db2.gz CGGCSWCSRFKLDZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001444710975 1011142907 /nfs/dbraw/zinc/14/29/07/1011142907.db2.gz QFAANQWSFUBDBF-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001444710975 1011142911 /nfs/dbraw/zinc/14/29/11/1011142911.db2.gz QFAANQWSFUBDBF-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CCn1nncc1CNC1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001423687396 1011423249 /nfs/dbraw/zinc/42/32/49/1011423249.db2.gz BZAQNVOKOADBRA-UHFFFAOYSA-N 1 3 322.457 0.719 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1ccsc1)C1CCC1 ZINC001445193049 1011506849 /nfs/dbraw/zinc/50/68/49/1011506849.db2.gz OBTUFJXYQQTMLA-CQSZACIVSA-N 1 3 311.451 0.799 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001445427827 1011760207 /nfs/dbraw/zinc/76/02/07/1011760207.db2.gz QLCJEDRSRPWTQE-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@H](CNCc1cn(C)nc1C(F)F)NC(=O)CC[NH+](C)C ZINC001445436615 1011771117 /nfs/dbraw/zinc/77/11/17/1011771117.db2.gz XTIZWSGOJHBTLE-SNVBAGLBSA-N 1 3 317.384 0.904 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001432074260 1011938073 /nfs/dbraw/zinc/93/80/73/1011938073.db2.gz OGPUUBNCTZUFCE-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001432074260 1011938082 /nfs/dbraw/zinc/93/80/82/1011938082.db2.gz OGPUUBNCTZUFCE-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001432074325 1011938737 /nfs/dbraw/zinc/93/87/37/1011938737.db2.gz OTTHKWAXFRNRFT-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)c1ccccc1 ZINC001553403946 1011940334 /nfs/dbraw/zinc/94/03/34/1011940334.db2.gz BMUAZRPSEHAZHY-QKPAOTATSA-N 1 3 303.406 0.925 20 0 DCADHO O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553511275 1012055738 /nfs/dbraw/zinc/05/57/38/1012055738.db2.gz BQCQRMAKBFAJDL-RBSFLKMASA-N 1 3 310.442 0.369 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553546445 1012096812 /nfs/dbraw/zinc/09/68/12/1012096812.db2.gz FYHAPXHHDZLOCU-UONOGXRCSA-N 1 3 310.442 0.620 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCC1 ZINC001424212883 1012176595 /nfs/dbraw/zinc/17/65/95/1012176595.db2.gz SUGOOZNJCCDNEW-HNNXBMFYSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1)OC ZINC001424227840 1012195544 /nfs/dbraw/zinc/19/55/44/1012195544.db2.gz JJLBVCDPFBATON-KGLIPLIRSA-N 1 3 310.398 0.194 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001424261237 1012259795 /nfs/dbraw/zinc/25/97/95/1012259795.db2.gz PVCXHWUTEISJEG-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001424261237 1012259812 /nfs/dbraw/zinc/25/98/12/1012259812.db2.gz PVCXHWUTEISJEG-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1)[NH+](CC)CC ZINC001432347185 1012350871 /nfs/dbraw/zinc/35/08/71/1012350871.db2.gz CMEMTCAWOZLXRJ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001445894864 1012404917 /nfs/dbraw/zinc/40/49/17/1012404917.db2.gz FJQVZNHUJBJTTR-XQLPTFJDSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001445894864 1012404924 /nfs/dbraw/zinc/40/49/24/1012404924.db2.gz FJQVZNHUJBJTTR-XQLPTFJDSA-N 1 3 324.469 0.289 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424369953 1012440037 /nfs/dbraw/zinc/44/00/37/1012440037.db2.gz RLCNWBIKHXOCJJ-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH2+]C1CC(C(=O)Nc2cnccc2N2CCN(C)CC2)C1 ZINC001548555180 1012481014 /nfs/dbraw/zinc/48/10/14/1012481014.db2.gz NMNMOHKJVMJYQP-UHFFFAOYSA-N 1 3 303.410 0.770 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCCN(C)C1=O)C1CC1 ZINC001445998373 1012500634 /nfs/dbraw/zinc/50/06/34/1012500634.db2.gz ZGTAHKWMXNZRBZ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001424471524 1012538632 /nfs/dbraw/zinc/53/86/32/1012538632.db2.gz BFCRYTVTBVDLSC-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N1CC([C@H](C)NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001424559569 1012654121 /nfs/dbraw/zinc/65/41/21/1012654121.db2.gz QMWCPXSIUCANIK-GXTWGEPZSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001432692716 1012779507 /nfs/dbraw/zinc/77/95/07/1012779507.db2.gz IUGUAFHOZUEOGL-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001432692716 1012779524 /nfs/dbraw/zinc/77/95/24/1012779524.db2.gz IUGUAFHOZUEOGL-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001479564469 1017587278 /nfs/dbraw/zinc/58/72/78/1017587278.db2.gz MBKKNGORYUJSGV-NFAWXSAZSA-N 1 3 324.469 0.561 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001479604098 1017596943 /nfs/dbraw/zinc/59/69/43/1017596943.db2.gz IDOVETHVJTVQGQ-DGCLKSJQSA-N 1 3 321.425 0.638 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001479604098 1017596972 /nfs/dbraw/zinc/59/69/72/1017596972.db2.gz IDOVETHVJTVQGQ-DGCLKSJQSA-N 1 3 321.425 0.638 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001506896901 1017650960 /nfs/dbraw/zinc/65/09/60/1017650960.db2.gz BULCZGLOEOOFQM-XUXIUFHCSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001479691783 1017654329 /nfs/dbraw/zinc/65/43/29/1017654329.db2.gz FHLGVFFYRZOZSJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001479696250 1017654403 /nfs/dbraw/zinc/65/44/03/1017654403.db2.gz VMJMNRVKEJXVDN-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H]1CCN(C)C1=O ZINC001479838893 1017855327 /nfs/dbraw/zinc/85/53/27/1017855327.db2.gz IPLDHWVULSAXCC-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H]1CCN(C)C1=O ZINC001479838893 1017855344 /nfs/dbraw/zinc/85/53/44/1017855344.db2.gz IPLDHWVULSAXCC-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1ccccc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001497119865 1017892310 /nfs/dbraw/zinc/89/23/10/1017892310.db2.gz VIAGJTWHVHOOPA-MRXNPFEDSA-N 1 3 307.438 0.902 20 0 DCADHO CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001499922370 1018136957 /nfs/dbraw/zinc/13/69/57/1018136957.db2.gz BHUCMRSKMIFZHU-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCN[C@H](C)C(N)=O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001497501294 1018172571 /nfs/dbraw/zinc/17/25/71/1018172571.db2.gz QZKRNLNCCRWIGP-CYBMUJFWSA-N 1 3 320.437 0.674 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001480142120 1018249623 /nfs/dbraw/zinc/24/96/23/1018249623.db2.gz KOEKVNFZACQCBV-JOCQHMNTSA-N 1 3 310.442 0.232 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1n[nH]c(C)n1 ZINC001495051416 1018265697 /nfs/dbraw/zinc/26/56/97/1018265697.db2.gz QVVYAXKPTDGLGT-LBPRGKRZSA-N 1 3 308.430 0.439 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480226580 1018337431 /nfs/dbraw/zinc/33/74/31/1018337431.db2.gz OTEBDCBDFJJGMX-BYNSBNAKSA-N 1 3 324.469 0.621 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001497732322 1018373872 /nfs/dbraw/zinc/37/38/72/1018373872.db2.gz QTGJNOHQGSMEGV-WFVIONGDSA-N 1 3 322.453 0.211 20 0 DCADHO CCN1CC[C@H](NC/C=C/CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001497732322 1018373877 /nfs/dbraw/zinc/37/38/77/1018373877.db2.gz QTGJNOHQGSMEGV-WFVIONGDSA-N 1 3 322.453 0.211 20 0 DCADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001497751142 1018389689 /nfs/dbraw/zinc/38/96/89/1018389689.db2.gz YARNBZSVJRTSBN-YLSAJCSVSA-N 1 3 322.453 0.261 20 0 DCADHO CC[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001500404873 1018442612 /nfs/dbraw/zinc/44/26/12/1018442612.db2.gz LKHVXNDVCCBNPX-BBRMVZONSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497875619 1018490495 /nfs/dbraw/zinc/49/04/95/1018490495.db2.gz DCUYLVILNLRBQH-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497875621 1018490633 /nfs/dbraw/zinc/49/06/33/1018490633.db2.gz DCUYLVILNLRBQH-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)n1 ZINC001498050531 1018614671 /nfs/dbraw/zinc/61/46/71/1018614671.db2.gz IETSJBJWUQJUHA-LBPRGKRZSA-N 1 3 323.441 0.889 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498096510 1018650055 /nfs/dbraw/zinc/65/00/55/1018650055.db2.gz NKECAXGHPWBITG-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001498117894 1018667319 /nfs/dbraw/zinc/66/73/19/1018667319.db2.gz JPHGCKCIHFJRCO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1C ZINC001480658420 1018750420 /nfs/dbraw/zinc/75/04/20/1018750420.db2.gz DRXPIKYDBXXRGE-CQSZACIVSA-N 1 3 307.442 0.618 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@H](CNCc3cnns3)C2)CC1 ZINC001480662863 1018752579 /nfs/dbraw/zinc/75/25/79/1018752579.db2.gz ZNSJSMBXNVSBOT-GFCCVEGCSA-N 1 3 323.466 0.818 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001480672014 1018761978 /nfs/dbraw/zinc/76/19/78/1018761978.db2.gz IQPZYFPKJIBWAB-JSGCOSHPSA-N 1 3 322.457 0.954 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN[C@@H](C)c2nnc(C)[nH]2)C1 ZINC001480672014 1018761992 /nfs/dbraw/zinc/76/19/92/1018761992.db2.gz IQPZYFPKJIBWAB-JSGCOSHPSA-N 1 3 322.457 0.954 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001480683020 1018774769 /nfs/dbraw/zinc/77/47/69/1018774769.db2.gz JRKOZJPWTHHUDL-CQSZACIVSA-N 1 3 324.469 0.291 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001498233421 1018787988 /nfs/dbraw/zinc/78/79/88/1018787988.db2.gz MZDPYNJTNUYWSC-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]([NH2+]CCn1cccn1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070203 1018856426 /nfs/dbraw/zinc/85/64/26/1018856426.db2.gz BSSOYYNNKMZAOC-ZIAGYGMSSA-N 1 3 316.409 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001501162015 1018929473 /nfs/dbraw/zinc/92/94/73/1018929473.db2.gz XUDFPFSTYMAGBE-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001501162015 1018929480 /nfs/dbraw/zinc/92/94/80/1018929480.db2.gz XUDFPFSTYMAGBE-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001501169562 1018934232 /nfs/dbraw/zinc/93/42/32/1018934232.db2.gz ACYHTTBVJWHNDP-LVQVYYBASA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001501169562 1018934243 /nfs/dbraw/zinc/93/42/43/1018934243.db2.gz ACYHTTBVJWHNDP-LVQVYYBASA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496060932 1019025016 /nfs/dbraw/zinc/02/50/16/1019025016.db2.gz JCAXCTYGPVPKKH-BBRMVZONSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)[C@H]1CCCN1C ZINC001496133135 1019099265 /nfs/dbraw/zinc/09/92/65/1019099265.db2.gz UUNCWSYCLGBAEB-UKRRQHHQSA-N 1 3 307.442 0.493 20 0 DCADHO C[C@H](CN(C)CCOCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001498426347 1019107229 /nfs/dbraw/zinc/10/72/29/1019107229.db2.gz CRCBCGPVVXGUNS-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001496153300 1019115582 /nfs/dbraw/zinc/11/55/82/1019115582.db2.gz GQKZAVZYPWVKLG-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001496153300 1019115588 /nfs/dbraw/zinc/11/55/88/1019115588.db2.gz GQKZAVZYPWVKLG-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)N(C)C)N(C)C ZINC001498610907 1019264050 /nfs/dbraw/zinc/26/40/50/1019264050.db2.gz MYKKZFMOAWUSAK-ZIAGYGMSSA-N 1 3 314.474 0.487 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)N(C)C ZINC001496638744 1019474346 /nfs/dbraw/zinc/47/43/46/1019474346.db2.gz GRBROXGWLLVXTI-ZDUSSCGKSA-N 1 3 300.447 0.145 20 0 DCADHO CN(C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1)C1CC1 ZINC001498863624 1019483674 /nfs/dbraw/zinc/48/36/74/1019483674.db2.gz MGGUKNBVZUWPDG-DZGCQCFKSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1)C1CC1 ZINC001498863624 1019483681 /nfs/dbraw/zinc/48/36/81/1019483681.db2.gz MGGUKNBVZUWPDG-DZGCQCFKSA-N 1 3 322.453 0.043 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001493591918 1019550217 /nfs/dbraw/zinc/55/02/17/1019550217.db2.gz PMYLXVJCFHFJKS-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001493681783 1019626095 /nfs/dbraw/zinc/62/60/95/1019626095.db2.gz CNMWZRGCZVWYKC-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001502029077 1019633243 /nfs/dbraw/zinc/63/32/43/1019633243.db2.gz LCUXLFZJQVXESG-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001493695271 1019638554 /nfs/dbraw/zinc/63/85/54/1019638554.db2.gz GMJLBXIXCJTCND-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001493695271 1019638561 /nfs/dbraw/zinc/63/85/61/1019638561.db2.gz GMJLBXIXCJTCND-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001494191976 1020064554 /nfs/dbraw/zinc/06/45/54/1020064554.db2.gz YMMQTDQYGCBGIS-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001494191976 1020064559 /nfs/dbraw/zinc/06/45/59/1020064559.db2.gz YMMQTDQYGCBGIS-CABCVRRESA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)C[C@@H]1CCCN1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000332121219 282119407 /nfs/dbraw/zinc/11/94/07/282119407.db2.gz ICWAEVULTINELT-STQMWFEESA-N 1 3 306.414 0.369 20 0 DCADHO C[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000261963612 295747846 /nfs/dbraw/zinc/74/78/46/295747846.db2.gz AOQGMPCHABHJGF-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO COC[C@@]1(C(=O)NCc2ccccc2CN(C)C)CC[NH2+]C1 ZINC000262518072 238176263 /nfs/dbraw/zinc/17/62/63/238176263.db2.gz NTEZZSMMHMJCOS-QGZVFWFLSA-N 1 3 305.422 0.991 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000566067061 291266611 /nfs/dbraw/zinc/26/66/11/291266611.db2.gz DGWBOBRITJMTKW-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)NC(N)=O)[C@H](C)C1 ZINC000566114976 291271183 /nfs/dbraw/zinc/27/11/83/291271183.db2.gz ALLHSLXAXHQYEW-CHWSQXEVSA-N 1 3 314.430 0.298 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)NC(N)=O)[C@H](C)C1 ZINC000566114976 291271185 /nfs/dbraw/zinc/27/11/85/291271185.db2.gz ALLHSLXAXHQYEW-CHWSQXEVSA-N 1 3 314.430 0.298 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415818599 239639466 /nfs/dbraw/zinc/63/94/66/239639466.db2.gz VEIOUNUMLOIYIV-HIFRSBDPSA-N 1 3 316.405 0.507 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000419528539 239913327 /nfs/dbraw/zinc/91/33/27/239913327.db2.gz WILKQFMLJIKNCV-MELADBBJSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000420026886 240008830 /nfs/dbraw/zinc/00/88/30/240008830.db2.gz KATLALKRSWXHTO-LBPRGKRZSA-N 1 3 324.400 0.179 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423386293 240198338 /nfs/dbraw/zinc/19/83/38/240198338.db2.gz HCJIFDSRAVGGLC-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423581884 240215651 /nfs/dbraw/zinc/21/56/51/240215651.db2.gz WHAHIJVDQJQOEA-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423581886 240215697 /nfs/dbraw/zinc/21/56/97/240215697.db2.gz WHAHIJVDQJQOEA-ZIAGYGMSSA-N 1 3 324.469 0.515 20 0 DCADHO COC(=O)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c[nH]1 ZINC000573866942 291660601 /nfs/dbraw/zinc/66/06/01/291660601.db2.gz PMFNXHNFHPVRFR-UHFFFAOYSA-N 1 3 310.398 0.367 20 0 DCADHO O=S1(=O)CCCN1[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000333469785 285056950 /nfs/dbraw/zinc/05/69/50/285056950.db2.gz AQEHWXAZACRFKD-GJZGRUSLSA-N 1 3 315.483 0.876 20 0 DCADHO COCCNCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000418561546 285078653 /nfs/dbraw/zinc/07/86/53/285078653.db2.gz QNCIPCVUFOQLEM-HNNXBMFYSA-N 1 3 312.458 0.882 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000339584916 253108799 /nfs/dbraw/zinc/10/87/99/253108799.db2.gz NKTMNOGKIXBNBY-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000339634145 253118296 /nfs/dbraw/zinc/11/82/96/253118296.db2.gz MMBHJIUAPIPQCE-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340486849 253265152 /nfs/dbraw/zinc/26/51/52/253265152.db2.gz VGPACJPNNVLGDE-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340486849 253265153 /nfs/dbraw/zinc/26/51/53/253265153.db2.gz VGPACJPNNVLGDE-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340800615 253305640 /nfs/dbraw/zinc/30/56/40/253305640.db2.gz OVXPWJDPRMZIPE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340800615 253305643 /nfs/dbraw/zinc/30/56/43/253305643.db2.gz OVXPWJDPRMZIPE-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340800619 253305789 /nfs/dbraw/zinc/30/57/89/253305789.db2.gz OVXPWJDPRMZIPE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340800619 253305790 /nfs/dbraw/zinc/30/57/90/253305790.db2.gz OVXPWJDPRMZIPE-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343777035 253701396 /nfs/dbraw/zinc/70/13/96/253701396.db2.gz XGDJTYWGNMDBEX-DKUMPPAJSA-N 1 3 309.454 0.894 20 0 DCADHO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000346116493 254012834 /nfs/dbraw/zinc/01/28/34/254012834.db2.gz RJBYMUJLSHJCSH-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000346116493 254012835 /nfs/dbraw/zinc/01/28/35/254012835.db2.gz RJBYMUJLSHJCSH-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000346287399 254031992 /nfs/dbraw/zinc/03/19/92/254031992.db2.gz DOPBLABSNKMYFL-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000346287399 254031995 /nfs/dbraw/zinc/03/19/95/254031995.db2.gz DOPBLABSNKMYFL-QGZVFWFLSA-N 1 3 308.470 0.568 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339667621 285188495 /nfs/dbraw/zinc/18/84/95/285188495.db2.gz UYFGFUJJEAOHJR-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339667621 285188496 /nfs/dbraw/zinc/18/84/96/285188496.db2.gz UYFGFUJJEAOHJR-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CCC[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CCN1CCOC ZINC000351719758 254362282 /nfs/dbraw/zinc/36/22/82/254362282.db2.gz SPNIKDMXWNXZPJ-DLBZAZTESA-N 1 3 313.486 0.874 20 0 DCADHO CCC[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CCN1CCOC ZINC000351719758 254362283 /nfs/dbraw/zinc/36/22/83/254362283.db2.gz SPNIKDMXWNXZPJ-DLBZAZTESA-N 1 3 313.486 0.874 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000337853922 285247100 /nfs/dbraw/zinc/24/71/00/285247100.db2.gz KNBRPMYJZODQCF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000337853922 285247104 /nfs/dbraw/zinc/24/71/04/285247104.db2.gz KNBRPMYJZODQCF-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)NC1 ZINC000337590408 285280597 /nfs/dbraw/zinc/28/05/97/285280597.db2.gz WTUJODUZFUNBAZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)NC1 ZINC000337590408 285280598 /nfs/dbraw/zinc/28/05/98/285280598.db2.gz WTUJODUZFUNBAZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NCCC[NH2+]C2CC2)CCSC1 ZINC000417812946 262262576 /nfs/dbraw/zinc/26/25/76/262262576.db2.gz FZDSYEXGQWNPTI-CQSZACIVSA-N 1 3 300.472 0.865 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C[C@H]1C ZINC000343282940 285382773 /nfs/dbraw/zinc/38/27/73/285382773.db2.gz BEEUQSWRNDFNCX-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN(C)C2CC2)C[C@H]1C ZINC000343282940 285382775 /nfs/dbraw/zinc/38/27/75/285382775.db2.gz BEEUQSWRNDFNCX-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CCN(C)CC1 ZINC000237531970 395914524 /nfs/dbraw/zinc/91/45/24/395914524.db2.gz DBUBBXOGJMVMFZ-XYTVBORESA-N 1 3 322.497 0.907 20 0 DCADHO O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1)[C@@H]1CCC[NH2+]1 ZINC000237950125 395919615 /nfs/dbraw/zinc/91/96/15/395919615.db2.gz ASFCJDLEFBDANI-KKUMJFAQSA-N 1 3 322.453 0.235 20 0 DCADHO C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCNCC1 ZINC000231668532 395885094 /nfs/dbraw/zinc/88/50/94/395885094.db2.gz IGJTXAHMMQXIKU-ZIAGYGMSSA-N 1 3 303.472 0.732 20 0 DCADHO C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCNCC1 ZINC000231668532 395885096 /nfs/dbraw/zinc/88/50/96/395885096.db2.gz IGJTXAHMMQXIKU-ZIAGYGMSSA-N 1 3 303.472 0.732 20 0 DCADHO CN(C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]CC1 ZINC000231668532 395885098 /nfs/dbraw/zinc/88/50/98/395885098.db2.gz IGJTXAHMMQXIKU-ZIAGYGMSSA-N 1 3 303.472 0.732 20 0 DCADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C3CCOCC3)C[C@H]12 ZINC000248648257 395993205 /nfs/dbraw/zinc/99/32/05/395993205.db2.gz UAEKGNGLODRLNX-BVUBDWEXSA-N 1 3 307.438 0.826 20 0 DCADHO CCOC(=O)CNC(=O)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261783991 396065642 /nfs/dbraw/zinc/06/56/42/396065642.db2.gz FRDIBEZPGSGQFR-ZDUSSCGKSA-N 1 3 311.426 0.377 20 0 DCADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000261784137 396065741 /nfs/dbraw/zinc/06/57/41/396065741.db2.gz XESLMZCCQNLDBQ-ARFHVFGLSA-N 1 3 305.422 0.909 20 0 DCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000276639530 396017356 /nfs/dbraw/zinc/01/73/56/396017356.db2.gz LZQQZMVVGQUNKD-RKTXRCNFSA-N 1 3 317.433 0.879 20 0 DCADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCCN(CC2CCCCC2)CC1 ZINC000165652208 396088874 /nfs/dbraw/zinc/08/88/74/396088874.db2.gz NRIWPBKPWLGGLY-JKSUJKDBSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)S(C)(=O)=O ZINC000262157951 396105799 /nfs/dbraw/zinc/10/57/99/396105799.db2.gz GPETVEJPGUHGJQ-BNOWGMLFSA-N 1 3 310.419 0.620 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)N2CCCC2)cc1 ZINC000262319786 396122966 /nfs/dbraw/zinc/12/29/66/396122966.db2.gz CLQQVXQZFHCSQJ-ULQDDVLXSA-N 1 3 317.433 0.971 20 0 DCADHO C[C@@H](C[NH3+])C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000262317617 396123052 /nfs/dbraw/zinc/12/30/52/396123052.db2.gz DRHDJRISCWRXFT-GXTWGEPZSA-N 1 3 318.421 0.917 20 0 DCADHO C[C@H](C[NH3+])C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262408347 396136593 /nfs/dbraw/zinc/13/65/93/396136593.db2.gz QIYICQIUDGZKFQ-GFCCVEGCSA-N 1 3 318.421 0.917 20 0 DCADHO C[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)CN1CCN(C)CC1 ZINC000073904277 396153448 /nfs/dbraw/zinc/15/34/48/396153448.db2.gz FNMRRAMOYITWBX-CABCVRRESA-N 1 3 313.490 0.509 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000074176668 396159740 /nfs/dbraw/zinc/15/97/40/396159740.db2.gz NFCFKZAMOSXHGE-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269242286 396398645 /nfs/dbraw/zinc/39/86/45/396398645.db2.gz BPTGOUCTRUJHBD-MRXNPFEDSA-N 1 3 304.438 0.483 20 0 DCADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)CC1 ZINC000269284454 396403803 /nfs/dbraw/zinc/40/38/03/396403803.db2.gz HJZRNPPBSFGBEQ-HZPDHXFCSA-N 1 3 318.421 0.490 20 0 DCADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)CC1 ZINC000269284454 396403806 /nfs/dbraw/zinc/40/38/06/396403806.db2.gz HJZRNPPBSFGBEQ-HZPDHXFCSA-N 1 3 318.421 0.490 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CCN(C2CC2)C1 ZINC000581121427 396527183 /nfs/dbraw/zinc/52/71/83/396527183.db2.gz SOYBZIRCOZCVKI-UKRRQHHQSA-N 1 3 309.458 0.016 20 0 DCADHO CCN1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000581128906 396527957 /nfs/dbraw/zinc/52/79/57/396527957.db2.gz HULWTGHIHITICP-ZDUSSCGKSA-N 1 3 306.414 0.244 20 0 DCADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000581419204 396552276 /nfs/dbraw/zinc/55/22/76/396552276.db2.gz NHDZKTAHPCBMAY-HNNXBMFYSA-N 1 3 312.458 0.882 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581606146 396568335 /nfs/dbraw/zinc/56/83/35/396568335.db2.gz UJILRYSBBWJEDV-HOTGVXAUSA-N 1 3 308.470 0.755 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000581883515 396589462 /nfs/dbraw/zinc/58/94/62/396589462.db2.gz KECDXNFLEHBJAO-FMKPAKJESA-N 1 3 311.426 0.110 20 0 DCADHO CCN1CCN(CCC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000374591326 396675213 /nfs/dbraw/zinc/67/52/13/396675213.db2.gz DJZOJCSVUVPKDG-ARFHVFGLSA-N 1 3 308.470 0.600 20 0 DCADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)CN1CCOCC1 ZINC000562990153 396690858 /nfs/dbraw/zinc/69/08/58/396690858.db2.gz FJBVGJFJUMHACP-KRWDZBQOSA-N 1 3 311.470 0.676 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595983300 396702756 /nfs/dbraw/zinc/70/27/56/396702756.db2.gz MQWBEWZVXLPQFR-OLZOCXBDSA-N 1 3 303.472 0.636 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](CC)CC ZINC000634251357 396820665 /nfs/dbraw/zinc/82/06/65/396820665.db2.gz JASNBLQFYNQVHP-GJZGRUSLSA-N 1 3 324.469 0.482 20 0 DCADHO Cc1nc(C)n(CCCC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000564704774 396858555 /nfs/dbraw/zinc/85/85/55/396858555.db2.gz NENPHOSJGNZQRN-UHFFFAOYSA-N 1 3 324.473 0.627 20 0 DCADHO CCOC(=O)C1([C@@H](C)NC[C@@H](C)S(C)(=O)=O)CC[NH2+]CC1 ZINC000596654236 396810269 /nfs/dbraw/zinc/81/02/69/396810269.db2.gz IAAIPLJMCRNNTE-VXGBXAGGSA-N 1 3 320.455 0.331 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000376165886 396887126 /nfs/dbraw/zinc/88/71/26/396887126.db2.gz JIPGTMIZTJOZPS-CABCVRRESA-N 1 3 312.458 0.690 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000376165886 396887128 /nfs/dbraw/zinc/88/71/28/396887128.db2.gz JIPGTMIZTJOZPS-CABCVRRESA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634765285 396911573 /nfs/dbraw/zinc/91/15/73/396911573.db2.gz OMCQLGQIJAXKMF-AWEZNQCLSA-N 1 3 307.442 0.953 20 0 DCADHO CCN(CCO)CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569864572 396920123 /nfs/dbraw/zinc/92/01/23/396920123.db2.gz AYYMRFODOKWICZ-QGZVFWFLSA-N 1 3 319.449 0.939 20 0 DCADHO CCN(CCO)CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569864572 396920128 /nfs/dbraw/zinc/92/01/28/396920128.db2.gz AYYMRFODOKWICZ-QGZVFWFLSA-N 1 3 319.449 0.939 20 0 DCADHO Cn1c(CN2CCCC3(CC[NH+](C)CC3)C2)cc(=O)n(C)c1=O ZINC000376388602 396920854 /nfs/dbraw/zinc/92/08/54/396920854.db2.gz SZWZCSKDHDFNMQ-UHFFFAOYSA-N 1 3 320.437 0.392 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000618307583 396954818 /nfs/dbraw/zinc/95/48/18/396954818.db2.gz KPLBRQZVMQAHSA-UHFFFAOYSA-N 1 3 312.458 0.197 20 0 DCADHO C[C@H]1CN(CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])CCO1 ZINC000572001308 397010595 /nfs/dbraw/zinc/01/05/95/397010595.db2.gz FVBPJQRQMQAUGY-LSDHHAIUSA-N 1 3 312.458 0.027 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CCC[NH2+]1 ZINC000572104008 397020851 /nfs/dbraw/zinc/02/08/51/397020851.db2.gz FNYVIXOJVYNSNH-OFQRWUPVSA-N 1 3 310.442 0.491 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000347318021 397029780 /nfs/dbraw/zinc/02/97/80/397029780.db2.gz SMMPOHNZFDCZML-XHSDSOJGSA-N 1 3 310.486 0.894 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000349902544 397078176 /nfs/dbraw/zinc/07/81/76/397078176.db2.gz BEEAJAQMCHUQNU-OAHLLOKOSA-N 1 3 312.458 0.882 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(CC)CCC[NH+](C)C)C1 ZINC000612542769 397084300 /nfs/dbraw/zinc/08/43/00/397084300.db2.gz LOTKPSJETYARBB-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)Cc1ccccc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000573372343 397161580 /nfs/dbraw/zinc/16/15/80/397161580.db2.gz JUJVTGQOXUGAGV-MRXNPFEDSA-N 1 3 316.449 0.868 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CCO1 ZINC000573429568 397166212 /nfs/dbraw/zinc/16/62/12/397166212.db2.gz LZNUEWAMKVACPF-ZFWWWQNUSA-N 1 3 304.394 0.243 20 0 DCADHO C[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)CN1CCN(C)CC1 ZINC000612974080 397168300 /nfs/dbraw/zinc/16/83/00/397168300.db2.gz OMEOPTMOAHNJJN-GJZGRUSLSA-N 1 3 323.485 0.311 20 0 DCADHO Cc1ccccc1[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000573799472 397206385 /nfs/dbraw/zinc/20/63/85/397206385.db2.gz STTHLTDJVCBIPP-WMLDXEAASA-N 1 3 318.465 0.995 20 0 DCADHO CN(C)C[C@@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592559348 397215452 /nfs/dbraw/zinc/21/54/52/397215452.db2.gz NVCPDJQUQQFPQH-STQMWFEESA-N 1 3 305.426 0.885 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000573986944 397226363 /nfs/dbraw/zinc/22/63/63/397226363.db2.gz JBUOLHYFSSBBPZ-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)c1ccc(C[NH2+]CCCCN2CCN(C)CC2)n1C ZINC000602004379 397283415 /nfs/dbraw/zinc/28/34/15/397283415.db2.gz LVSWLEBVRZEHHG-UHFFFAOYSA-N 1 3 322.453 0.929 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592960686 397304414 /nfs/dbraw/zinc/30/44/14/397304414.db2.gz CJAZXBLBIMWQNO-TYNCELHUSA-N 1 3 317.437 0.932 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000592964446 397305819 /nfs/dbraw/zinc/30/58/19/397305819.db2.gz GPRAJRONYDANNU-CAOSSQGBSA-N 1 3 306.454 0.079 20 0 DCADHO COCCCN(C)CCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592965877 397307395 /nfs/dbraw/zinc/30/73/95/397307395.db2.gz UQOGCDUQPHSWTH-ZDUSSCGKSA-N 1 3 323.441 0.417 20 0 DCADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000577529170 397340879 /nfs/dbraw/zinc/34/08/79/397340879.db2.gz OJIFMWQGPPDJMS-WCQYABFASA-N 1 3 301.456 0.803 20 0 DCADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)C1 ZINC000577607105 397344917 /nfs/dbraw/zinc/34/49/17/397344917.db2.gz NWSXYCUQRCABEJ-AJNGGQMLSA-N 1 3 310.442 0.347 20 0 DCADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)C1 ZINC000577607105 397344920 /nfs/dbraw/zinc/34/49/20/397344920.db2.gz NWSXYCUQRCABEJ-AJNGGQMLSA-N 1 3 310.442 0.347 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000577833219 397364510 /nfs/dbraw/zinc/36/45/10/397364510.db2.gz AONHMEOLTLJTLJ-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419034473 397378344 /nfs/dbraw/zinc/37/83/44/397378344.db2.gz ZRGHUSDIRQPEPL-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(CCc2cnn(C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370150951 397447508 /nfs/dbraw/zinc/44/75/08/397447508.db2.gz TYEZGVFFPSKOMH-WBVHZDCISA-N 1 3 305.470 0.920 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471636357 397448448 /nfs/dbraw/zinc/44/84/48/397448448.db2.gz REVXKJOUJMKDRM-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423127718 397393708 /nfs/dbraw/zinc/39/37/08/397393708.db2.gz JXVCVVBMUBQVFH-CQSZACIVSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)C2)CC1 ZINC000602479971 397415976 /nfs/dbraw/zinc/41/59/76/397415976.db2.gz CRYOFWATACJQBJ-JKSUJKDBSA-N 1 3 306.454 0.661 20 0 DCADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H](C)C1 ZINC000579091183 397520632 /nfs/dbraw/zinc/52/06/32/397520632.db2.gz BQZVHTSSWKDWOH-YHUYYLMFSA-N 1 3 323.485 0.262 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000579850295 397595619 /nfs/dbraw/zinc/59/56/19/397595619.db2.gz TUVCUXMYUBTQAM-VVLHAWIVSA-N 1 3 313.486 0.588 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000579850295 397595620 /nfs/dbraw/zinc/59/56/20/397595620.db2.gz TUVCUXMYUBTQAM-VVLHAWIVSA-N 1 3 313.486 0.588 20 0 DCADHO COC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C ZINC000608703300 397747827 /nfs/dbraw/zinc/74/78/27/397747827.db2.gz RLEIFHSQZRFIQT-AWEZNQCLSA-N 1 3 302.463 0.792 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CN)OC)[C@@H](C)C1 ZINC000353441681 286061087 /nfs/dbraw/zinc/06/10/87/286061087.db2.gz AWUHAVPGTXJESU-MELADBBJSA-N 1 3 301.431 0.213 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](CN)OC)[C@@H](C)C1 ZINC000353441681 286061089 /nfs/dbraw/zinc/06/10/89/286061089.db2.gz AWUHAVPGTXJESU-MELADBBJSA-N 1 3 301.431 0.213 20 0 DCADHO COC(=O)NCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797600 158011906 /nfs/dbraw/zinc/01/19/06/158011906.db2.gz PIXSMWKQCNXXKU-UHFFFAOYSA-N 1 3 312.414 0.017 20 0 DCADHO COCCN(C)CCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000076323145 158064452 /nfs/dbraw/zinc/06/44/52/158064452.db2.gz JVZHLTYDNLUXIG-OAHLLOKOSA-N 1 3 315.458 0.474 20 0 DCADHO CCN1CCC(NC(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000118842075 158179847 /nfs/dbraw/zinc/17/98/47/158179847.db2.gz OKIFAFZPCBSDOU-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCC(NC(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000118842075 158179849 /nfs/dbraw/zinc/17/98/49/158179849.db2.gz OKIFAFZPCBSDOU-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000134007382 158323557 /nfs/dbraw/zinc/32/35/57/158323557.db2.gz PBXYLDVLNXHKEM-KBPBESRZSA-N 1 3 314.499 0.224 20 0 DCADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cnn(C)c1 ZINC000168892257 158372168 /nfs/dbraw/zinc/37/21/68/158372168.db2.gz KTHRJUMOCMEHJI-QGZVFWFLSA-N 1 3 323.485 0.851 20 0 DCADHO NC1(C[NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CCC1 ZINC000342141252 159227826 /nfs/dbraw/zinc/22/78/26/159227826.db2.gz ORZMKCOOMOMFKS-UHFFFAOYSA-N 1 3 317.437 0.591 20 0 DCADHO CCc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000132436127 287005319 /nfs/dbraw/zinc/00/53/19/287005319.db2.gz LCCSSMJAPCBQSU-UHFFFAOYSA-N 1 3 310.446 0.940 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC(=O)C1 ZINC000152169249 287039491 /nfs/dbraw/zinc/03/94/91/287039491.db2.gz PNJGDHYMKWCZQL-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC(=O)C1 ZINC000152169249 287039493 /nfs/dbraw/zinc/03/94/93/287039493.db2.gz PNJGDHYMKWCZQL-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000187124092 287058553 /nfs/dbraw/zinc/05/85/53/287058553.db2.gz WVYHFKRBSNBKPH-AWEZNQCLSA-N 1 3 300.447 0.474 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000303999439 287142244 /nfs/dbraw/zinc/14/22/44/287142244.db2.gz QLAJLCWGTANJDI-HZPDHXFCSA-N 1 3 300.443 0.959 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000332599344 287218462 /nfs/dbraw/zinc/21/84/62/287218462.db2.gz OFYOGXAEKGEPQA-TUVASFSCSA-N 1 3 322.453 0.328 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(CCCO)C1 ZINC000418342471 287244950 /nfs/dbraw/zinc/24/49/50/287244950.db2.gz ISNLUOBGOMYNPE-CABCVRRESA-N 1 3 312.458 0.522 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418379033 287246479 /nfs/dbraw/zinc/24/64/79/287246479.db2.gz KEGNKFFOZUMXRM-HNNXBMFYSA-N 1 3 311.474 0.407 20 0 DCADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000418391920 287247240 /nfs/dbraw/zinc/24/72/40/287247240.db2.gz VUDPZULGLMVDMM-DZGCQCFKSA-N 1 3 306.410 0.959 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419147960 287268598 /nfs/dbraw/zinc/26/85/98/287268598.db2.gz CTYPHVZSCCRSRB-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO NC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420304929 287288141 /nfs/dbraw/zinc/28/81/41/287288141.db2.gz OYVGEDKAIDAATN-IKGGRYGDSA-N 1 3 319.449 0.895 20 0 DCADHO NC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420304929 287288142 /nfs/dbraw/zinc/28/81/42/287288142.db2.gz OYVGEDKAIDAATN-IKGGRYGDSA-N 1 3 319.449 0.895 20 0 DCADHO NC(=O)CC[C@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420304929 287288143 /nfs/dbraw/zinc/28/81/43/287288143.db2.gz OYVGEDKAIDAATN-IKGGRYGDSA-N 1 3 319.449 0.895 20 0 DCADHO NC(=O)c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420318429 287289888 /nfs/dbraw/zinc/28/98/88/287289888.db2.gz OAWBEVLFQUQOBX-AWEZNQCLSA-N 1 3 302.422 0.907 20 0 DCADHO CCCCNC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341006 287292375 /nfs/dbraw/zinc/29/23/75/287292375.db2.gz NJJDBIBNPUUVCE-ZIAGYGMSSA-N 1 3 310.442 0.934 20 0 DCADHO C[NH2+]CCCN(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420386476 287295234 /nfs/dbraw/zinc/29/52/34/287295234.db2.gz IPUPXWLHWNBQPT-MRXNPFEDSA-N 1 3 306.454 0.947 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331575837 415137516 /nfs/dbraw/zinc/13/75/16/415137516.db2.gz HPIMLWJGQXFNTI-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000332129189 415257019 /nfs/dbraw/zinc/25/70/19/415257019.db2.gz HULAERCZQRVISG-CPUCHLNUSA-N 1 3 322.453 0.187 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000342699851 415263346 /nfs/dbraw/zinc/26/33/46/415263346.db2.gz WAJYCCBLJLFSJE-ZIAGYGMSSA-N 1 3 313.442 0.895 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000342699851 415263355 /nfs/dbraw/zinc/26/33/55/415263355.db2.gz WAJYCCBLJLFSJE-ZIAGYGMSSA-N 1 3 313.442 0.895 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000332194758 415290687 /nfs/dbraw/zinc/29/06/87/415290687.db2.gz BSKVSYKNBRKPHF-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000332269040 415323769 /nfs/dbraw/zinc/32/37/69/415323769.db2.gz BYKOIEGEBKEICJ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000332269040 415323781 /nfs/dbraw/zinc/32/37/81/415323781.db2.gz BYKOIEGEBKEICJ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000342899001 415345699 /nfs/dbraw/zinc/34/56/99/415345699.db2.gz UOJGKWUHSCYWKO-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN(C)CCCOC ZINC000074490630 415429633 /nfs/dbraw/zinc/42/96/33/415429633.db2.gz QQFZAJUSRXVVMD-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCN(C)CCCOC ZINC000074490630 415429642 /nfs/dbraw/zinc/42/96/42/415429642.db2.gz QQFZAJUSRXVVMD-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000332358817 415363076 /nfs/dbraw/zinc/36/30/76/415363076.db2.gz XCRMBMONKNKLTA-CVEARBPZSA-N 1 3 324.469 0.868 20 0 DCADHO CN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000332979034 415521182 /nfs/dbraw/zinc/52/11/82/415521182.db2.gz KIQIRDDCJCVSMO-HOTGVXAUSA-N 1 3 324.469 0.758 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343291429 415537488 /nfs/dbraw/zinc/53/74/88/415537488.db2.gz YYIWHBLMLJKBLW-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000343438949 415601568 /nfs/dbraw/zinc/60/15/68/415601568.db2.gz NXIXVYRAVMALCM-OWCLPIDISA-N 1 3 310.486 0.764 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCSC1 ZINC000333414800 415642563 /nfs/dbraw/zinc/64/25/63/415642563.db2.gz RSIOXKQDIZRKMI-ABHRYQDASA-N 1 3 312.483 0.802 20 0 DCADHO CC[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000333252181 415596418 /nfs/dbraw/zinc/59/64/18/415596418.db2.gz GZKFZOJQWLCXQL-IHRRRGAJSA-N 1 3 303.472 0.778 20 0 DCADHO O=S1(=O)CCCN1[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000333469787 415659455 /nfs/dbraw/zinc/65/94/55/415659455.db2.gz AQEHWXAZACRFKD-LSDHHAIUSA-N 1 3 315.483 0.876 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000343634262 415662316 /nfs/dbraw/zinc/66/23/16/415662316.db2.gz FBFBYLXCDJLKBW-HOTGVXAUSA-N 1 3 310.486 0.955 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333501250 415667742 /nfs/dbraw/zinc/66/77/42/415667742.db2.gz HUHBIIVMRLIRCW-KKUMJFAQSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(N[C@@H]1CCN2CCCC[C@@H]12)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343786702 415729017 /nfs/dbraw/zinc/72/90/17/415729017.db2.gz RNBUJNAYHAPTGF-ZKXZWOTCSA-N 1 3 305.422 0.544 20 0 DCADHO CO[C@@H](CN)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000290041864 415753199 /nfs/dbraw/zinc/75/31/99/415753199.db2.gz GREWRQQYXWYHTH-HNNXBMFYSA-N 1 3 309.410 0.259 20 0 DCADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000336852542 415835518 /nfs/dbraw/zinc/83/55/18/415835518.db2.gz SYTXSQRECBFJKY-BFHYXJOUSA-N 1 3 312.458 0.467 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000290275378 415785105 /nfs/dbraw/zinc/78/51/05/415785105.db2.gz YXWUDIBZWUTLCB-VNQPRFMTSA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000290275378 415785111 /nfs/dbraw/zinc/78/51/11/415785111.db2.gz YXWUDIBZWUTLCB-VNQPRFMTSA-N 1 3 305.422 0.987 20 0 DCADHO C[C@@H](CN1CCOCC1)[N@H+](C)CCCN(C)CCN(C)C ZINC000344028345 415826048 /nfs/dbraw/zinc/82/60/48/415826048.db2.gz NAKVVGCWTKZPRM-INIZCTEOSA-N 1 3 300.491 0.522 20 0 DCADHO C[C@@H](CN1CCOCC1)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344028345 415826055 /nfs/dbraw/zinc/82/60/55/415826055.db2.gz NAKVVGCWTKZPRM-INIZCTEOSA-N 1 3 300.491 0.522 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CN(C(C)=O)C1 ZINC000336935357 415866637 /nfs/dbraw/zinc/86/66/37/415866637.db2.gz FGBUMDMPALTDRT-INIZCTEOSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CN(C(C)=O)C1 ZINC000336935357 415866642 /nfs/dbraw/zinc/86/66/42/415866642.db2.gz FGBUMDMPALTDRT-INIZCTEOSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000296341657 415922160 /nfs/dbraw/zinc/92/21/60/415922160.db2.gz ILGPEUUFOGDRDO-TZMCWYRMSA-N 1 3 303.410 0.818 20 0 DCADHO O=C1CNC(=O)N1CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134889835 415957230 /nfs/dbraw/zinc/95/72/30/415957230.db2.gz ZROHUUDGIIJRKN-ZFWWWQNUSA-N 1 3 320.437 0.877 20 0 DCADHO O=C1CNC(=O)N1CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134889835 415957236 /nfs/dbraw/zinc/95/72/36/415957236.db2.gz ZROHUUDGIIJRKN-ZFWWWQNUSA-N 1 3 320.437 0.877 20 0 DCADHO C[C@H]1C[C@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CCN1C ZINC000344639526 415963915 /nfs/dbraw/zinc/96/39/15/415963915.db2.gz PQEJUKAWBMKAJP-GOEBONIOSA-N 1 3 318.469 0.801 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357358838 416068223 /nfs/dbraw/zinc/06/82/23/416068223.db2.gz AZKDOCLWSMISRO-HNNXBMFYSA-N 1 3 312.458 0.454 20 0 DCADHO OC[C@@]1(F)CCN(CCCCC[N@@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338584924 416112044 /nfs/dbraw/zinc/11/20/44/416112044.db2.gz IRTFQNXOKIRPQQ-GASCZTMLSA-N 1 3 306.397 0.969 20 0 DCADHO OC[C@@]1(F)CCN(CCCCC[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338584924 416112048 /nfs/dbraw/zinc/11/20/48/416112048.db2.gz IRTFQNXOKIRPQQ-GASCZTMLSA-N 1 3 306.397 0.969 20 0 DCADHO OC[C@@]1(F)CC[N@@H+](CCCCCN2CC[C@@](F)(CO)C2)C1 ZINC000338584924 416112052 /nfs/dbraw/zinc/11/20/52/416112052.db2.gz IRTFQNXOKIRPQQ-GASCZTMLSA-N 1 3 306.397 0.969 20 0 DCADHO OC[C@@]1(F)CC[N@H+](CCCCCN2CC[C@@](F)(CO)C2)C1 ZINC000338584924 416112056 /nfs/dbraw/zinc/11/20/56/416112056.db2.gz IRTFQNXOKIRPQQ-GASCZTMLSA-N 1 3 306.397 0.969 20 0 DCADHO CC(C)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000316885191 416116256 /nfs/dbraw/zinc/11/62/56/416116256.db2.gz XXEYDCKFGAXHCD-JKSUJKDBSA-N 1 3 310.486 0.764 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]([NH3+])CC(F)F)C[C@H](C)O1 ZINC000345705570 416136397 /nfs/dbraw/zinc/13/63/97/416136397.db2.gz ZSUNILNKWDFVCJ-TUAOUCFPSA-N 1 3 307.385 0.975 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CN2CCN1CCC2)[NH+]1CCCCC1 ZINC000345743414 416142530 /nfs/dbraw/zinc/14/25/30/416142530.db2.gz BNCFLBJNONZYII-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCOCCN(C)C ZINC000345936917 416171134 /nfs/dbraw/zinc/17/11/34/416171134.db2.gz RBLMAUNVTCCKFX-OAHLLOKOSA-N 1 3 315.458 0.474 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000339749122 416164854 /nfs/dbraw/zinc/16/48/54/416164854.db2.gz GSISYBCRBOXDCT-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN2CCC3(C2)CC[NH2+]CC3)C1 ZINC000358503706 416244220 /nfs/dbraw/zinc/24/42/20/416244220.db2.gz GCRZHBOUFPZECZ-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N1CCCN(C(C)C)CC1)C1CC1 ZINC000359297311 416319572 /nfs/dbraw/zinc/31/95/72/416319572.db2.gz YIKAODOETJDURD-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N1CCCN(C(C)C)CC1)C1CC1 ZINC000359297311 416319573 /nfs/dbraw/zinc/31/95/73/416319573.db2.gz YIKAODOETJDURD-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415558729 416347831 /nfs/dbraw/zinc/34/78/31/416347831.db2.gz JOGKYZGALGFXJL-UHFFFAOYSA-N 1 3 318.421 0.993 20 0 DCADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCNCC1 ZINC000331519862 416323083 /nfs/dbraw/zinc/32/30/83/416323083.db2.gz NMTUOCMMGSECKP-ZNMIVQPWSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCCNCC1 ZINC000331519862 416323085 /nfs/dbraw/zinc/32/30/85/416323085.db2.gz NMTUOCMMGSECKP-ZNMIVQPWSA-N 1 3 324.469 0.291 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000359906452 416365180 /nfs/dbraw/zinc/36/51/80/416365180.db2.gz VMDNPFKUKBHLLQ-HIFRSBDPSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000359906452 416365182 /nfs/dbraw/zinc/36/51/82/416365182.db2.gz VMDNPFKUKBHLLQ-HIFRSBDPSA-N 1 3 312.458 0.879 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419720460 416405786 /nfs/dbraw/zinc/40/57/86/416405786.db2.gz FHEBCOQLSKAEDC-CYBMUJFWSA-N 1 3 300.447 0.276 20 0 DCADHO CN(Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC[NH3+])C1CC1 ZINC000419760136 416409038 /nfs/dbraw/zinc/40/90/38/416409038.db2.gz HVZXSYZSXHFHLB-HNNXBMFYSA-N 1 3 318.421 0.088 20 0 DCADHO CCOC(=O)C1([C@H](C)NCC(=O)NCC2CC2)CC[NH2+]CC1 ZINC000423051017 416463143 /nfs/dbraw/zinc/46/31/43/416463143.db2.gz ZLRPMRGITZWGGV-LBPRGKRZSA-N 1 3 311.426 0.424 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422379319 416428807 /nfs/dbraw/zinc/42/88/07/416428807.db2.gz POSMJAYKPLUXQO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422379319 416428809 /nfs/dbraw/zinc/42/88/09/416428809.db2.gz POSMJAYKPLUXQO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000361443327 416437487 /nfs/dbraw/zinc/43/74/87/416437487.db2.gz XLIICMAGBAVWCD-KBPBESRZSA-N 1 3 320.441 1.193 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000361443327 416437491 /nfs/dbraw/zinc/43/74/91/416437491.db2.gz XLIICMAGBAVWCD-KBPBESRZSA-N 1 3 320.441 1.193 20 0 DCADHO N[C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCC1 ZINC000422542097 416439187 /nfs/dbraw/zinc/43/91/87/416439187.db2.gz POUJXSFLBQQFHN-QWRGUYRKSA-N 1 3 308.348 0.066 20 0 DCADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H]1CCOC1 ZINC000361483063 416440845 /nfs/dbraw/zinc/44/08/45/416440845.db2.gz BVHHIQNJTOCUMM-DLBZAZTESA-N 1 3 313.486 0.781 20 0 DCADHO CC1CC[NH+](C[C@H](O)CN[C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422981451 416455819 /nfs/dbraw/zinc/45/58/19/416455819.db2.gz SWEBCGDSGCEYBK-IKGGRYGDSA-N 1 3 311.470 0.436 20 0 DCADHO CCCN(C(=O)C(=O)N1CCC[C@@H](N(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000423669468 416536343 /nfs/dbraw/zinc/53/63/43/416536343.db2.gz YCCOWOXPSGETLG-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)CCN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423715223 416546530 /nfs/dbraw/zinc/54/65/30/416546530.db2.gz UFSAZWQPCZUNNL-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000423740716 416554774 /nfs/dbraw/zinc/55/47/74/416554774.db2.gz GXZGTWLJJWRAFY-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000534277930 416494695 /nfs/dbraw/zinc/49/46/95/416494695.db2.gz CTABHFQFBCDMGH-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000423379449 416501573 /nfs/dbraw/zinc/50/15/73/416501573.db2.gz LVTPRNLCDZRBKR-UHFFFAOYSA-N 1 3 305.422 0.895 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)CC1 ZINC000423432245 416509410 /nfs/dbraw/zinc/50/94/10/416509410.db2.gz OIFAATKGZQRCQY-UHFFFAOYSA-N 1 3 316.449 0.660 20 0 DCADHO O=C(C[C@H]1CNCCO1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000584349349 416513381 /nfs/dbraw/zinc/51/33/81/416513381.db2.gz PQQHZLUOLAJADV-INIZCTEOSA-N 1 3 318.421 0.793 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423505465 416519006 /nfs/dbraw/zinc/51/90/06/416519006.db2.gz LOLBOOFMMJBMLD-KGLIPLIRSA-N 1 3 312.458 0.371 20 0 DCADHO C[C@@H](CNC(=O)NC(C)(C)CCN1CCN(C)CC1)[NH+](C)C ZINC000459032159 416519573 /nfs/dbraw/zinc/51/95/73/416519573.db2.gz ARRKWLOWKGNHBV-AWEZNQCLSA-N 1 3 313.490 0.652 20 0 DCADHO CC(C)[C@H]1CN(C)CCN1C(=O)CCCN1CCC([NH3+])CC1 ZINC000423767674 416563904 /nfs/dbraw/zinc/56/39/04/416563904.db2.gz CJHRHFDVXNMGCI-MRXNPFEDSA-N 1 3 310.486 0.988 20 0 DCADHO CC[N@H+](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(C)C ZINC000424452085 416646604 /nfs/dbraw/zinc/64/66/04/416646604.db2.gz GEJWNVDMHNOMGU-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CC[N@@H+](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)C(C)C ZINC000424452085 416646609 /nfs/dbraw/zinc/64/66/09/416646609.db2.gz GEJWNVDMHNOMGU-LSDHHAIUSA-N 1 3 322.457 0.587 20 0 DCADHO CN1CC[NH+](CC2(C)CCN([C@H]3CCCN(C)C3=O)CC2)CC1 ZINC000544491254 416655940 /nfs/dbraw/zinc/65/59/40/416655940.db2.gz YTVJIYRRRQIRPE-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO O=C1N[C@@H]2CN(C[C@@H]3CCCCO3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828271 416751440 /nfs/dbraw/zinc/75/14/40/416751440.db2.gz KJSFCQHJADNJSH-XHSDSOJGSA-N 1 3 322.453 0.776 20 0 DCADHO CC(C)[C@@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1C ZINC000514983687 416687317 /nfs/dbraw/zinc/68/73/17/416687317.db2.gz FMKGUPCZTMAMJL-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CN1CCN(c2ncc(CN3CCC[C@H](CC[NH3+])C3)cn2)CC1 ZINC000442917401 416717760 /nfs/dbraw/zinc/71/77/60/416717760.db2.gz AIXVHVHFPNLHHX-OAHLLOKOSA-N 1 3 318.469 0.789 20 0 DCADHO [NH3+]CC[C@H]1CCCN(CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000443055195 416729252 /nfs/dbraw/zinc/72/92/52/416729252.db2.gz AUPKQLMHQHKKKO-SECBINFHSA-N 1 3 310.320 0.435 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000443065747 416729431 /nfs/dbraw/zinc/72/94/31/416729431.db2.gz COFPVYYLBXAJIX-AWEZNQCLSA-N 1 3 322.453 0.128 20 0 DCADHO CN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@H](CN)C1 ZINC000516633880 416730749 /nfs/dbraw/zinc/73/07/49/416730749.db2.gz CUXCJRNUZPYFAF-OAHLLOKOSA-N 1 3 309.458 0.145 20 0 DCADHO CN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H](CN)C1 ZINC000516633879 416731728 /nfs/dbraw/zinc/73/17/28/416731728.db2.gz CUXCJRNUZPYFAF-HNNXBMFYSA-N 1 3 309.458 0.145 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000425916400 416736127 /nfs/dbraw/zinc/73/61/27/416736127.db2.gz BDDABCCTERDYMY-UKRRQHHQSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000425916400 416736132 /nfs/dbraw/zinc/73/61/32/416736132.db2.gz BDDABCCTERDYMY-UKRRQHHQSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000427493123 416823102 /nfs/dbraw/zinc/82/31/02/416823102.db2.gz QUNHCCRAMAHELK-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000427493123 416823105 /nfs/dbraw/zinc/82/31/05/416823105.db2.gz QUNHCCRAMAHELK-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](CN)C1 ZINC000516959309 416763038 /nfs/dbraw/zinc/76/30/38/416763038.db2.gz IHUVKOCKHITOHF-ZDUSSCGKSA-N 1 3 311.474 0.580 20 0 DCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000631903219 416785320 /nfs/dbraw/zinc/78/53/20/416785320.db2.gz BWNTWUHBBIFJPR-CQSZACIVSA-N 1 3 312.439 0.205 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631940806 416819637 /nfs/dbraw/zinc/81/96/37/416819637.db2.gz HBKHTUXUZPRWOQ-KGLIPLIRSA-N 1 3 303.472 0.589 20 0 DCADHO CN1CCCC[C@@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000624122440 416963600 /nfs/dbraw/zinc/96/36/00/416963600.db2.gz RGZDAHSMLCCPBB-FUJMWEONSA-N 1 3 308.426 0.829 20 0 DCADHO COc1cnccc1N1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641866537 417014925 /nfs/dbraw/zinc/01/49/25/417014925.db2.gz DYLHJWXVNUFFAX-IHWYPQMZSA-N 1 3 305.382 0.437 20 0 DCADHO COCCN(C)CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376329163 417026329 /nfs/dbraw/zinc/02/63/29/417026329.db2.gz YVOGHRAPAZYWSA-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000565528782 416987465 /nfs/dbraw/zinc/98/74/65/416987465.db2.gz AUPHWPXOTHKWBE-LSDHHAIUSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026518 417100173 /nfs/dbraw/zinc/10/01/73/417100173.db2.gz FSBMNEGVHTXSKJ-KBPBESRZSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@](C[NH3+])(NCCC(=O)Nc1ccc(C(N)=O)cc1)C1CC1 ZINC000430572364 417041197 /nfs/dbraw/zinc/04/11/97/417041197.db2.gz FZQQOSKDGYTTRV-MRXNPFEDSA-N 1 3 304.394 0.831 20 0 DCADHO CN1CC[C@@]2(CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)C1 ZINC000632361746 417041682 /nfs/dbraw/zinc/04/16/82/417041682.db2.gz KKRDLGNIRHXCCA-OAHLLOKOSA-N 1 3 315.483 0.830 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642330383 417045076 /nfs/dbraw/zinc/04/50/76/417045076.db2.gz CNHBDGKYAXSVEA-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447984629 417053758 /nfs/dbraw/zinc/05/37/58/417053758.db2.gz ZFXFMHJYMYUARU-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447984629 417053763 /nfs/dbraw/zinc/05/37/63/417053763.db2.gz ZFXFMHJYMYUARU-AWEZNQCLSA-N 1 3 314.474 0.984 20 0 DCADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2(N)CCCC2)CC1 ZINC000430713385 417061275 /nfs/dbraw/zinc/06/12/75/417061275.db2.gz KRCGOVFUISXYMY-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1CCC(C)CC1 ZINC000642644510 417065598 /nfs/dbraw/zinc/06/55/98/417065598.db2.gz VPZHNEUBSATVHQ-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642645491 417066231 /nfs/dbraw/zinc/06/62/31/417066231.db2.gz ZPAADFOXPHQVPX-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCC1 ZINC000642698792 417072466 /nfs/dbraw/zinc/07/24/66/417072466.db2.gz QVCYGAOFUVMBMY-MRXNPFEDSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430877113 417075830 /nfs/dbraw/zinc/07/58/30/417075830.db2.gz IVXJMZHILQAXME-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642732150 417084740 /nfs/dbraw/zinc/08/47/40/417084740.db2.gz HROQBSIBDXTNNG-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000642732156 417085091 /nfs/dbraw/zinc/08/50/91/417085091.db2.gz HZJXNVFZTLPUQU-ZNMIVQPWSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642773334 417093101 /nfs/dbraw/zinc/09/31/01/417093101.db2.gz REBWCTAOWASDPA-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC[C@@H]1[NH3+] ZINC000642773266 417094904 /nfs/dbraw/zinc/09/49/04/417094904.db2.gz GIPQFLWYIQMHPV-SCRDCRAPSA-N 1 3 310.442 0.171 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642809790 417106392 /nfs/dbraw/zinc/10/63/92/417106392.db2.gz TYHHWXVMWXYIGB-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000642808225 417107252 /nfs/dbraw/zinc/10/72/52/417107252.db2.gz PGSHPRWXIUUZTN-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642903172 417114746 /nfs/dbraw/zinc/11/47/46/417114746.db2.gz DFOWNKIFJBISMT-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000642906294 417117263 /nfs/dbraw/zinc/11/72/63/417117263.db2.gz FXAYZBRVXQQPEJ-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]1C[C@H](NC(=O)c2cn(CCCC[NH3+])nn2)CN1C1CC1 ZINC000568391140 417132864 /nfs/dbraw/zinc/13/28/64/417132864.db2.gz DJIGXVYAZCRHEO-RYUDHWBXSA-N 1 3 306.414 0.372 20 0 DCADHO C[C@@H]1CCCCN1CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449322177 417139916 /nfs/dbraw/zinc/13/99/16/417139916.db2.gz WNCJSZWSJVRODY-ZIAGYGMSSA-N 1 3 320.441 0.634 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643394627 417188768 /nfs/dbraw/zinc/18/87/68/417188768.db2.gz YYPADSONYQNKCJ-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643394627 417188772 /nfs/dbraw/zinc/18/87/72/417188772.db2.gz YYPADSONYQNKCJ-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH2+]CCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637826445 417200858 /nfs/dbraw/zinc/20/08/58/417200858.db2.gz RDSYIWSAFOVCEZ-UHFFFAOYSA-N 1 3 305.382 0.253 20 0 DCADHO C[C@@H](CCNC(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCCCC1 ZINC000569093718 417212973 /nfs/dbraw/zinc/21/29/73/417212973.db2.gz MCZURKIFJRVUGB-LSDHHAIUSA-N 1 3 311.474 0.535 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643468721 417216173 /nfs/dbraw/zinc/21/61/73/417216173.db2.gz KWYAAUMLYLUCBD-RRFJBIMHSA-N 1 3 315.483 0.922 20 0 DCADHO CN1CCC(C[NH2+][C@@H]2CCOC2(C)C)(N2CCOCC2)CC1 ZINC000414202762 417265958 /nfs/dbraw/zinc/26/59/58/417265958.db2.gz USZGVNPWBZNQOD-OAHLLOKOSA-N 1 3 311.470 0.940 20 0 DCADHO CC(C)(C(=O)N1C[C@H](C[NH3+])Cc2ccccc21)N1CCNCC1 ZINC000632869361 417282780 /nfs/dbraw/zinc/28/27/80/417282780.db2.gz PQBVPMLIIJGAMZ-AWEZNQCLSA-N 1 3 316.449 0.834 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000569713658 417285926 /nfs/dbraw/zinc/28/59/26/417285926.db2.gz YTDMPCJSZIXOPI-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000569713658 417285937 /nfs/dbraw/zinc/28/59/37/417285937.db2.gz YTDMPCJSZIXOPI-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000627229508 417288959 /nfs/dbraw/zinc/28/89/59/417288959.db2.gz RUIVZTCLXRNHBY-KGLIPLIRSA-N 1 3 321.429 0.048 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000569724206 417289255 /nfs/dbraw/zinc/28/92/55/417289255.db2.gz QTKADDJAGQEBMH-UHFFFAOYSA-N 1 3 323.437 0.474 20 0 DCADHO CN(C)c1ncc(CNC(=O)CCCN2CCC([NH3+])CC2)n1C ZINC000433161674 417234136 /nfs/dbraw/zinc/23/41/36/417234136.db2.gz RVJURLWDVBBESV-UHFFFAOYSA-N 1 3 322.457 0.306 20 0 DCADHO CC(C)[C@H](C[NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000433155642 417234365 /nfs/dbraw/zinc/23/43/65/417234365.db2.gz YQMRQVXOPMYOQS-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643594569 417253305 /nfs/dbraw/zinc/25/33/05/417253305.db2.gz RVCAHUSYNPWUFZ-RHSMWYFYSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CCCCN1CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433387703 417262607 /nfs/dbraw/zinc/26/26/07/417262607.db2.gz RUAYXNPNKWMXJG-KBPBESRZSA-N 1 3 320.441 0.807 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433387687 417264169 /nfs/dbraw/zinc/26/41/69/417264169.db2.gz RTOVDBPEULXGPW-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO [NH3+]C[C@@]1(C(=O)N2CCN(c3ccncc3)CC2)CCCOC1 ZINC000638136279 417348946 /nfs/dbraw/zinc/34/89/46/417348946.db2.gz GTXGCQZIZMLQAQ-INIZCTEOSA-N 1 3 304.394 0.486 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000638072265 417311342 /nfs/dbraw/zinc/31/13/42/417311342.db2.gz LSIWCHMUMIKFMH-CVEARBPZSA-N 1 3 304.438 0.514 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000638072265 417311347 /nfs/dbraw/zinc/31/13/47/417311347.db2.gz LSIWCHMUMIKFMH-CVEARBPZSA-N 1 3 304.438 0.514 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638099944 417326363 /nfs/dbraw/zinc/32/63/63/417326363.db2.gz WPNFFQUNAFFBNA-AWEZNQCLSA-N 1 3 308.426 0.047 20 0 DCADHO Cc1cc(CN)oc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638118469 417337750 /nfs/dbraw/zinc/33/77/50/417337750.db2.gz ZMDLWAMGFWVCFL-ZDUSSCGKSA-N 1 3 320.437 0.945 20 0 DCADHO Cc1cc(CN)oc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638118469 417337755 /nfs/dbraw/zinc/33/77/55/417337755.db2.gz ZMDLWAMGFWVCFL-ZDUSSCGKSA-N 1 3 320.437 0.945 20 0 DCADHO Cc1cc(CN)oc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638118469 417337762 /nfs/dbraw/zinc/33/77/62/417337762.db2.gz ZMDLWAMGFWVCFL-ZDUSSCGKSA-N 1 3 320.437 0.945 20 0 DCADHO [NH3+]C[C@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CCCOC1 ZINC000638242935 417389271 /nfs/dbraw/zinc/38/92/71/417389271.db2.gz VXFCNYLRBLBIKZ-MRXNPFEDSA-N 1 3 305.378 0.863 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cn1 ZINC000638265159 417395722 /nfs/dbraw/zinc/39/57/22/417395722.db2.gz BTBMSWVPDWDEDI-SNVBAGLBSA-N 1 3 307.320 0.454 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571149322 417427315 /nfs/dbraw/zinc/42/73/15/417427315.db2.gz UJVXJMRKRFAZFG-HUUCEWRRSA-N 1 3 311.474 0.249 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571149322 417427320 /nfs/dbraw/zinc/42/73/20/417427320.db2.gz UJVXJMRKRFAZFG-HUUCEWRRSA-N 1 3 311.474 0.249 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638176622 417366413 /nfs/dbraw/zinc/36/64/13/417366413.db2.gz DWPNLZHPDURDOF-ZIAGYGMSSA-N 1 3 301.431 0.086 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000528677631 417378607 /nfs/dbraw/zinc/37/86/07/417378607.db2.gz DEIZELAASOLRTR-GFCCVEGCSA-N 1 3 306.414 0.851 20 0 DCADHO CN1CCC(N2CC[C@@H]([NH2+]CC(C)(C)N3CCOCC3)C2)CC1 ZINC000638587846 417497755 /nfs/dbraw/zinc/49/77/55/417497755.db2.gz HSVZNQNUUFXMGT-MRXNPFEDSA-N 1 3 324.513 0.855 20 0 DCADHO C[C@H](Cc1cnccn1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638571262 417491495 /nfs/dbraw/zinc/49/14/95/417491495.db2.gz MPQUXLMCRLNPOR-ZIAGYGMSSA-N 1 3 305.426 0.585 20 0 DCADHO C[C@H](Cc1cnccn1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638571262 417491498 /nfs/dbraw/zinc/49/14/98/417491498.db2.gz MPQUXLMCRLNPOR-ZIAGYGMSSA-N 1 3 305.426 0.585 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000638409373 417445581 /nfs/dbraw/zinc/44/55/81/417445581.db2.gz KQSSKSQVLPVIER-HNNXBMFYSA-N 1 3 304.438 0.833 20 0 DCADHO CN1C[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC000634705307 417531316 /nfs/dbraw/zinc/53/13/16/417531316.db2.gz XRHATJCMPGBYSA-AEFFLSMTSA-N 1 3 317.433 0.834 20 0 DCADHO CN1C[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC000634705307 417531319 /nfs/dbraw/zinc/53/13/19/417531319.db2.gz XRHATJCMPGBYSA-AEFFLSMTSA-N 1 3 317.433 0.834 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000575636500 417541516 /nfs/dbraw/zinc/54/15/16/417541516.db2.gz LEGCHEYKPOCQJP-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CO[C@@H](C[NH2+]CC1(O)CCN(C(C)C)CC1)[C@@H]1CCOC1 ZINC000638738442 417547358 /nfs/dbraw/zinc/54/73/58/417547358.db2.gz KVARWKOREPJOBB-CABCVRRESA-N 1 3 300.443 0.863 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CN(C)Cc2ccccc2)C[NH2+]1 ZINC000638643070 417522511 /nfs/dbraw/zinc/52/25/11/417522511.db2.gz ZLIIJASHXINJMM-BMFZPTHFSA-N 1 3 304.438 0.702 20 0 DCADHO CN1CCO[C@@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634645172 417524882 /nfs/dbraw/zinc/52/48/82/417524882.db2.gz IKZWCLRRTREBGP-ROUUACIJSA-N 1 3 319.449 0.544 20 0 DCADHO CN1CCO[C@@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634645172 417524887 /nfs/dbraw/zinc/52/48/87/417524887.db2.gz IKZWCLRRTREBGP-ROUUACIJSA-N 1 3 319.449 0.544 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000578806261 417686995 /nfs/dbraw/zinc/68/69/95/417686995.db2.gz XQXVHVCWBZKHIB-UHFFFAOYSA-N 1 3 322.457 1.255 20 0 DCADHO CCN1CCN(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635556817 417700691 /nfs/dbraw/zinc/70/06/91/417700691.db2.gz VPZBFLOBHRBYDE-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC000644735755 417650420 /nfs/dbraw/zinc/65/04/20/417650420.db2.gz FGRADFMAFSHFQK-HOCLYGCPSA-N 1 3 308.470 0.611 20 0 DCADHO CN(CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000532010698 417653488 /nfs/dbraw/zinc/65/34/88/417653488.db2.gz IYCAOQUUERDCMR-JKSUJKDBSA-N 1 3 324.469 0.758 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000458163420 417727181 /nfs/dbraw/zinc/72/71/81/417727181.db2.gz JETNRWBFTOVYQZ-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000458163420 417727185 /nfs/dbraw/zinc/72/71/85/417727185.db2.gz JETNRWBFTOVYQZ-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO Cn1c(CN2CCC3(C2)CC[NH+](C)CC3)cc(=O)n(C)c1=O ZINC000639758222 417737314 /nfs/dbraw/zinc/73/73/14/417737314.db2.gz QXKRVFMSSOLNCK-UHFFFAOYSA-N 1 3 306.410 0.002 20 0 DCADHO [NH3+]CCOCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000645483286 417745914 /nfs/dbraw/zinc/74/59/14/417745914.db2.gz SAPCTAGXHMUGLC-UHFFFAOYSA-N 1 3 301.456 0.440 20 0 DCADHO CCN1CCN(Cc2ccc(NC(=O)COCC[NH3+])cc2)CC1 ZINC000645484328 417747475 /nfs/dbraw/zinc/74/74/75/417747475.db2.gz GHWNUOUDOYNPKU-UHFFFAOYSA-N 1 3 320.437 0.738 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645953234 417831234 /nfs/dbraw/zinc/83/12/34/417831234.db2.gz KKUVJWYEYQOGPP-KGLIPLIRSA-N 1 3 318.425 0.244 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336072 417835333 /nfs/dbraw/zinc/83/53/33/417835333.db2.gz HGOBHXDZLSIFKM-REVBEMBVSA-N 1 3 307.438 0.729 20 0 DCADHO COC[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000657070972 417796834 /nfs/dbraw/zinc/79/68/34/417796834.db2.gz CUBYKNCKQMGUEK-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO COC[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000657070972 417796841 /nfs/dbraw/zinc/79/68/41/417796841.db2.gz CUBYKNCKQMGUEK-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1(C)C ZINC000645803156 417798717 /nfs/dbraw/zinc/79/87/17/417798717.db2.gz BINCDFNOCDNNMP-CZUORRHYSA-N 1 3 323.441 0.916 20 0 DCADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1(C)C ZINC000645803154 417798769 /nfs/dbraw/zinc/79/87/69/417798769.db2.gz BINCDFNOCDNNMP-BBRMVZONSA-N 1 3 323.441 0.916 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000635956294 417814383 /nfs/dbraw/zinc/81/43/83/417814383.db2.gz WQOLDPSPWIYRBM-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000635956294 417814385 /nfs/dbraw/zinc/81/43/85/417814385.db2.gz WQOLDPSPWIYRBM-LSDHHAIUSA-N 1 3 313.442 0.134 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000646433072 417848783 /nfs/dbraw/zinc/84/87/83/417848783.db2.gz FULKBTJJJDBEOJ-UHFFFAOYSA-N 1 3 320.437 0.722 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662713464 417868260 /nfs/dbraw/zinc/86/82/60/417868260.db2.gz WOSVDXNJUKRRMT-KGLIPLIRSA-N 1 3 320.441 0.759 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000652288258 417878891 /nfs/dbraw/zinc/87/88/91/417878891.db2.gz ALBBJSYYOBPHDF-INIZCTEOSA-N 1 3 306.410 0.272 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662746822 417882709 /nfs/dbraw/zinc/88/27/09/417882709.db2.gz SJEXGERKMIRPJV-UONOGXRCSA-N 1 3 320.441 0.664 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)C1 ZINC000662757324 417890668 /nfs/dbraw/zinc/89/06/68/417890668.db2.gz LFPATGXGXUEWOT-LSDHHAIUSA-N 1 3 308.470 0.613 20 0 DCADHO CC[NH+]1CCN(Cc2ccc(NC(=O)C3(O)CNC3)cc2)CC1 ZINC000662755952 417891997 /nfs/dbraw/zinc/89/19/97/417891997.db2.gz DSBHRSHLCXYBDG-UHFFFAOYSA-N 1 3 318.421 0.097 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000636240031 417905574 /nfs/dbraw/zinc/90/55/74/417905574.db2.gz UBKAYQJSYPTNJS-OAHLLOKOSA-N 1 3 315.458 0.428 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000636240031 417905580 /nfs/dbraw/zinc/90/55/80/417905580.db2.gz UBKAYQJSYPTNJS-OAHLLOKOSA-N 1 3 315.458 0.428 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)CC(F)F)CC2)C1 ZINC000646003069 417844412 /nfs/dbraw/zinc/84/44/12/417844412.db2.gz PSVMMIUSELMTIF-RYUDHWBXSA-N 1 3 304.385 0.207 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)CC(F)F)CC2)C1 ZINC000646003069 417844416 /nfs/dbraw/zinc/84/44/16/417844416.db2.gz PSVMMIUSELMTIF-RYUDHWBXSA-N 1 3 304.385 0.207 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000254 417975022 /nfs/dbraw/zinc/97/50/22/417975022.db2.gz FMAGDQJRVSBHIW-HZPDHXFCSA-N 1 3 309.454 0.993 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000254 417975027 /nfs/dbraw/zinc/97/50/27/417975027.db2.gz FMAGDQJRVSBHIW-HZPDHXFCSA-N 1 3 309.454 0.993 20 0 DCADHO COCCNCC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662860128 417931485 /nfs/dbraw/zinc/93/14/85/417931485.db2.gz QSLNBJSUFUSMHG-INIZCTEOSA-N 1 3 321.421 0.105 20 0 DCADHO COCCNCC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662860128 417931488 /nfs/dbraw/zinc/93/14/88/417931488.db2.gz QSLNBJSUFUSMHG-INIZCTEOSA-N 1 3 321.421 0.105 20 0 DCADHO CC[NH+]1CCC(NC(=O)Cn2cc([C@@H](N)C(C)(C)C)nn2)CC1 ZINC000640868136 417935854 /nfs/dbraw/zinc/93/58/54/417935854.db2.gz YCLQIVMCOJXBPS-OAHLLOKOSA-N 1 3 322.457 0.925 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662893440 417939136 /nfs/dbraw/zinc/93/91/36/417939136.db2.gz LHFAVIJPTALGPD-NFAWXSAZSA-N 1 3 312.458 0.452 20 0 DCADHO CC[N@H+](CCCNC(=O)C(=O)NC1CNC1)C1CCCCC1 ZINC000652697349 417948438 /nfs/dbraw/zinc/94/84/38/417948438.db2.gz BZOYVIGUGMOMRI-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CC[N@@H+](CCCNC(=O)C(=O)NC1CNC1)C1CCCCC1 ZINC000652697349 417948443 /nfs/dbraw/zinc/94/84/43/417948443.db2.gz BZOYVIGUGMOMRI-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000652701105 417949440 /nfs/dbraw/zinc/94/94/40/417949440.db2.gz ZHZBYYRVLWRHAN-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000636458835 417951828 /nfs/dbraw/zinc/95/18/28/417951828.db2.gz QVQMBNRDOZUATC-HNNXBMFYSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH+](C)CCC1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662927677 417954025 /nfs/dbraw/zinc/95/40/25/417954025.db2.gz FKUANFINDDJRFM-UHFFFAOYSA-N 1 3 322.453 0.126 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000662924911 417954449 /nfs/dbraw/zinc/95/44/49/417954449.db2.gz AIZIBKPZMCWVEJ-CQSZACIVSA-N 1 3 324.469 0.659 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000662943153 417957976 /nfs/dbraw/zinc/95/79/76/417957976.db2.gz PAWWSUZFRVPZHR-HIFRSBDPSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000652732086 417959850 /nfs/dbraw/zinc/95/98/50/417959850.db2.gz BRXUYUYLHDKKPA-OAHLLOKOSA-N 1 3 324.469 0.518 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000662972463 417967582 /nfs/dbraw/zinc/96/75/82/417967582.db2.gz JLELTSKMLPWXKN-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000662974008 417968613 /nfs/dbraw/zinc/96/86/13/417968613.db2.gz YKFCSEMAXPDOMW-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H]2CSCCN2)CCO1 ZINC000662973532 417969009 /nfs/dbraw/zinc/96/90/09/417969009.db2.gz RDKHSROBLNLKSO-KBPBESRZSA-N 1 3 315.483 0.651 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662986206 417971485 /nfs/dbraw/zinc/97/14/85/417971485.db2.gz AYYCUZMZRXLBGT-ILXRZTDVSA-N 1 3 324.469 0.515 20 0 DCADHO CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000658828992 418029228 /nfs/dbraw/zinc/02/92/28/418029228.db2.gz HIFBLWIIXHSMHQ-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)C[C@H]2N)cn1 ZINC000653166590 418041195 /nfs/dbraw/zinc/04/11/95/418041195.db2.gz OMOACILBPVTEGW-XGUBFFRZSA-N 1 3 303.410 0.204 20 0 DCADHO O=C(NCC[C@H]1CC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659513993 418109872 /nfs/dbraw/zinc/10/98/72/418109872.db2.gz NSWCBMCWEGTYFP-HIFRSBDPSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000663773551 418054554 /nfs/dbraw/zinc/05/45/54/418054554.db2.gz GIJONTULEAGSLR-GJZGRUSLSA-N 1 3 313.490 0.652 20 0 DCADHO CS(=O)(=O)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647874752 418069007 /nfs/dbraw/zinc/06/90/07/418069007.db2.gz VEWXNSCNJREKHN-UHFFFAOYSA-N 1 3 303.472 0.734 20 0 DCADHO COC1CCN(CC[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000647909528 418074402 /nfs/dbraw/zinc/07/44/02/418074402.db2.gz VCHFCJWRFBFTQG-UHFFFAOYSA-N 1 3 313.486 0.922 20 0 DCADHO COC1CCN(CCNC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000647909528 418074405 /nfs/dbraw/zinc/07/44/05/418074405.db2.gz VCHFCJWRFBFTQG-UHFFFAOYSA-N 1 3 313.486 0.922 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000647994002 418085994 /nfs/dbraw/zinc/08/59/94/418085994.db2.gz IOEIXQCZAFNCTE-GJZGRUSLSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(C)COC1 ZINC000664101620 418086106 /nfs/dbraw/zinc/08/61/06/418086106.db2.gz QUFYEQBGXJRMOO-ZDUSSCGKSA-N 1 3 300.447 0.594 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(C)COC1 ZINC000664101620 418086109 /nfs/dbraw/zinc/08/61/09/418086109.db2.gz QUFYEQBGXJRMOO-ZDUSSCGKSA-N 1 3 300.447 0.594 20 0 DCADHO O=C(CCOC1C[NH2+]C1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659365378 418087203 /nfs/dbraw/zinc/08/72/03/418087203.db2.gz GZPSBTOLUJAQKR-HNNXBMFYSA-N 1 3 305.378 0.665 20 0 DCADHO CCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664185357 418094676 /nfs/dbraw/zinc/09/46/76/418094676.db2.gz XGXQSFNHYLTHKJ-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664185357 418094678 /nfs/dbraw/zinc/09/46/78/418094678.db2.gz XGXQSFNHYLTHKJ-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H](CO)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664198469 418097742 /nfs/dbraw/zinc/09/77/42/418097742.db2.gz JIRLYOIUYDQVGN-IHRRRGAJSA-N 1 3 302.463 0.575 20 0 DCADHO C[C@@H](CO)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664198469 418097744 /nfs/dbraw/zinc/09/77/44/418097744.db2.gz JIRLYOIUYDQVGN-IHRRRGAJSA-N 1 3 302.463 0.575 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659462927 418100013 /nfs/dbraw/zinc/10/00/13/418100013.db2.gz NIXWEMVTJBJKLL-UHFFFAOYSA-N 1 3 310.402 0.172 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659462927 418100015 /nfs/dbraw/zinc/10/00/15/418100015.db2.gz NIXWEMVTJBJKLL-UHFFFAOYSA-N 1 3 310.402 0.172 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659507986 418107880 /nfs/dbraw/zinc/10/78/80/418107880.db2.gz OTJBHMLUEPCUBU-HNNXBMFYSA-N 1 3 310.442 0.539 20 0 DCADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCN1 ZINC000659607328 418124359 /nfs/dbraw/zinc/12/43/59/418124359.db2.gz AMCQQSKXDBEDQF-AWEZNQCLSA-N 1 3 310.442 0.633 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659607925 418124845 /nfs/dbraw/zinc/12/48/45/418124845.db2.gz HRZYNKOQYFZVQL-HOTGVXAUSA-N 1 3 322.453 0.776 20 0 DCADHO CCCN1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000659610272 418126621 /nfs/dbraw/zinc/12/66/21/418126621.db2.gz NOHLLMNRBIHDPV-QLFBSQMISA-N 1 3 320.441 0.341 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)CCN(C)C ZINC000659624282 418129983 /nfs/dbraw/zinc/12/99/83/418129983.db2.gz QKFXHGCONQDYMN-CQSZACIVSA-N 1 3 301.479 0.495 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659628854 418131267 /nfs/dbraw/zinc/13/12/67/418131267.db2.gz KAGVKAQXRZMATA-GXSJLCMTSA-N 1 3 308.386 0.052 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000654373355 418136974 /nfs/dbraw/zinc/13/69/74/418136974.db2.gz ACFYUIRAJWZRLL-LVQVYYBASA-N 1 3 324.469 0.567 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000654373355 418136975 /nfs/dbraw/zinc/13/69/75/418136975.db2.gz ACFYUIRAJWZRLL-LVQVYYBASA-N 1 3 324.469 0.567 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000659675169 418142370 /nfs/dbraw/zinc/14/23/70/418142370.db2.gz ZWZHAPFGSSPXSW-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654439692 418144957 /nfs/dbraw/zinc/14/49/57/418144957.db2.gz VCEXBYPZSBMAFA-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654439692 418144959 /nfs/dbraw/zinc/14/49/59/418144959.db2.gz VCEXBYPZSBMAFA-SOUVJXGZSA-N 1 3 310.442 0.321 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659685783 418146123 /nfs/dbraw/zinc/14/61/23/418146123.db2.gz VHOLCYBCSCDWST-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N(C)C1CC1 ZINC000659701920 418152838 /nfs/dbraw/zinc/15/28/38/418152838.db2.gz KATIIAWLRWNZBK-DYEKYZERSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC[N@@H+]1C ZINC000648782868 418157072 /nfs/dbraw/zinc/15/70/72/418157072.db2.gz GIFDDOYBGAHFRZ-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(C(=O)NCCN(C)C)CC2)CC[N@H+]1C ZINC000648782868 418157075 /nfs/dbraw/zinc/15/70/75/418157075.db2.gz GIFDDOYBGAHFRZ-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000659713026 418158148 /nfs/dbraw/zinc/15/81/48/418158148.db2.gz AEMRUXFBIJZVGY-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659713387 418158343 /nfs/dbraw/zinc/15/83/43/418158343.db2.gz IRBFREJNDREKFY-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664898430 418159990 /nfs/dbraw/zinc/15/99/90/418159990.db2.gz ZMQJHLASCGINTR-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664917030 418160513 /nfs/dbraw/zinc/16/05/13/418160513.db2.gz REHFGHFOGMJFSZ-IHRRRGAJSA-N 1 3 300.447 0.423 20 0 DCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664917030 418160515 /nfs/dbraw/zinc/16/05/15/418160515.db2.gz REHFGHFOGMJFSZ-IHRRRGAJSA-N 1 3 300.447 0.423 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659718925 418161683 /nfs/dbraw/zinc/16/16/83/418161683.db2.gz RTOSINXRQDTZEI-HIFRSBDPSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCc2ccnc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000648844502 418163924 /nfs/dbraw/zinc/16/39/24/418163924.db2.gz HUHHVTGEZPJDTP-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCc2ccnc(OCCN(C)C)c2)CC[N@H+]1C ZINC000648844502 418163926 /nfs/dbraw/zinc/16/39/26/418163926.db2.gz HUHHVTGEZPJDTP-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCCC1 ZINC000659732142 418167053 /nfs/dbraw/zinc/16/70/53/418167053.db2.gz JZKXHDXFWCKQBX-AWEZNQCLSA-N 1 3 322.453 0.461 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000659730523 418167411 /nfs/dbraw/zinc/16/74/11/418167411.db2.gz XQGAZASHNGTMMC-XQQFMLRXSA-N 1 3 310.442 0.219 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350498 418246875 /nfs/dbraw/zinc/24/68/75/418246875.db2.gz IZOOEYQVYDDPHP-CHWSQXEVSA-N 1 3 318.412 0.373 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000654775544 418186802 /nfs/dbraw/zinc/18/68/02/418186802.db2.gz OTIDFGOWTQGFBL-CABCVRRESA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000654775544 418186805 /nfs/dbraw/zinc/18/68/05/418186805.db2.gz OTIDFGOWTQGFBL-CABCVRRESA-N 1 3 308.470 0.613 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665362494 418202175 /nfs/dbraw/zinc/20/21/75/418202175.db2.gz FPBXTWPMJPQBJB-DOMZBBRYSA-N 1 3 300.447 0.471 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccccc2OCCN(C)C)CCO1 ZINC000649274859 418217335 /nfs/dbraw/zinc/21/73/35/418217335.db2.gz XGXICRQTGGRLTF-CZUORRHYSA-N 1 3 321.421 0.815 20 0 DCADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CN1CCCC1 ZINC000655698406 418288933 /nfs/dbraw/zinc/28/89/33/418288933.db2.gz BLIRTUWEKNMPTN-SJORKVTESA-N 1 3 311.470 0.676 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968685 418308174 /nfs/dbraw/zinc/30/81/74/418308174.db2.gz DUQAKMQIVPIIPQ-JKSUJKDBSA-N 1 3 318.421 0.366 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656020383 418317571 /nfs/dbraw/zinc/31/75/71/418317571.db2.gz RBFKTYLANPWBTH-CABCVRRESA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656024099 418319658 /nfs/dbraw/zinc/31/96/58/418319658.db2.gz JGGBRPBDTGCQLX-LXTVHRRPSA-N 1 3 322.453 0.234 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656023933 418319935 /nfs/dbraw/zinc/31/99/35/418319935.db2.gz ITHYEBVONKATIO-ZIAGYGMSSA-N 1 3 322.453 0.365 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656026009 418320465 /nfs/dbraw/zinc/32/04/65/418320465.db2.gz ZIRUUSICYASOSK-QPSCCSFWSA-N 1 3 322.453 0.363 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449611 418263638 /nfs/dbraw/zinc/26/36/38/418263638.db2.gz LLVZXARALXUKLV-AEFFLSMTSA-N 1 3 322.497 0.910 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660583635 418272076 /nfs/dbraw/zinc/27/20/76/418272076.db2.gz CVQONXOOOHUCOT-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000660583635 418272078 /nfs/dbraw/zinc/27/20/78/418272078.db2.gz CVQONXOOOHUCOT-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COC1CCOCC1)C2 ZINC000660657990 418279197 /nfs/dbraw/zinc/27/91/97/418279197.db2.gz VELHTZYXSZDBOU-NVXWUHKLSA-N 1 3 312.454 0.961 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COC1CCOCC1)C2 ZINC000660657990 418279199 /nfs/dbraw/zinc/27/91/99/418279199.db2.gz VELHTZYXSZDBOU-NVXWUHKLSA-N 1 3 312.454 0.961 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656282540 418339938 /nfs/dbraw/zinc/33/99/38/418339938.db2.gz NFEPCHIDTRZJRW-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@@H]21 ZINC000661988703 418374656 /nfs/dbraw/zinc/37/46/56/418374656.db2.gz ZDVORZKAKMZOFJ-KBMXLJTQSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@@H]21 ZINC000661988703 418374658 /nfs/dbraw/zinc/37/46/58/418374658.db2.gz ZDVORZKAKMZOFJ-KBMXLJTQSA-N 1 3 322.453 0.585 20 0 DCADHO O=C(CC[NH2+]C1(CO)CCNCC1)N1CCc2sccc2C1 ZINC000662286305 418397191 /nfs/dbraw/zinc/39/71/91/418397191.db2.gz GCKJBRGNMFQRMC-UHFFFAOYSA-N 1 3 323.462 0.727 20 0 DCADHO O=C(NCCNc1ccncc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662394823 418406692 /nfs/dbraw/zinc/40/66/92/418406692.db2.gz OKCZFBYXIWEVDF-UHFFFAOYSA-N 1 3 315.377 0.800 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662430405 418409580 /nfs/dbraw/zinc/40/95/80/418409580.db2.gz ZVLUFFLZUMKFNX-CYBMUJFWSA-N 1 3 308.430 0.621 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662450752 418410964 /nfs/dbraw/zinc/41/09/64/418410964.db2.gz DYLVDTCLYVCTJG-OLZOCXBDSA-N 1 3 303.410 0.701 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662497099 418412670 /nfs/dbraw/zinc/41/26/70/418412670.db2.gz DDNKKFZHTUADQD-GYSYKLTISA-N 1 3 303.410 0.699 20 0 DCADHO c1c([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)[nH]nc1N1CCNCC1 ZINC000662336494 418401307 /nfs/dbraw/zinc/40/13/07/418401307.db2.gz YCXRPOFVMUCGFB-GJZGRUSLSA-N 1 3 318.469 0.608 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000187164924 261122540 /nfs/dbraw/zinc/12/25/40/261122540.db2.gz LMSGHXSTFQNAHA-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354747735 261266476 /nfs/dbraw/zinc/26/64/76/261266476.db2.gz KIPLZLREIAKLIK-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000355003425 261295248 /nfs/dbraw/zinc/29/52/48/261295248.db2.gz OFYQQQRAXSNQDT-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000355003425 261295249 /nfs/dbraw/zinc/29/52/49/261295249.db2.gz OFYQQQRAXSNQDT-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355867418 261371286 /nfs/dbraw/zinc/37/12/86/261371286.db2.gz VJBXWOQKCWNSTL-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355867414 261371813 /nfs/dbraw/zinc/37/18/13/261371813.db2.gz VJBXWOQKCWNSTL-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000362718019 262065103 /nfs/dbraw/zinc/06/51/03/262065103.db2.gz YQDAFIXHZGBFFQ-ILXRZTDVSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000362718019 262065106 /nfs/dbraw/zinc/06/51/06/262065106.db2.gz YQDAFIXHZGBFFQ-ILXRZTDVSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000362970193 262090546 /nfs/dbraw/zinc/09/05/46/262090546.db2.gz IWIYNPDVLOPXIN-RRFJBIMHSA-N 1 3 312.458 0.879 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000362970193 262090548 /nfs/dbraw/zinc/09/05/48/262090548.db2.gz IWIYNPDVLOPXIN-RRFJBIMHSA-N 1 3 312.458 0.879 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000363145825 262101169 /nfs/dbraw/zinc/10/11/69/262101169.db2.gz SLQMBMUCYOOTKZ-MRXNPFEDSA-N 1 3 308.470 0.757 20 0 DCADHO C[C@@H]1C[NH+](CC2CCN(CCN3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000368005832 262144518 /nfs/dbraw/zinc/14/45/18/262144518.db2.gz KPKKZDXJQFVCHH-HUUCEWRRSA-N 1 3 324.469 0.833 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000416975351 262242672 /nfs/dbraw/zinc/24/26/72/262242672.db2.gz NWBCQPZGHWFDSM-CQSZACIVSA-N 1 3 306.410 0.788 20 0 DCADHO COCCNCCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000417194948 262247053 /nfs/dbraw/zinc/24/70/53/262247053.db2.gz PRBRSFDRVJOMPC-AWEZNQCLSA-N 1 3 300.447 0.644 20 0 DCADHO CN(CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)Cc1ccccc1 ZINC000417234221 262248127 /nfs/dbraw/zinc/24/81/27/262248127.db2.gz URTHPXGRNKHEAA-INIZCTEOSA-N 1 3 319.453 0.321 20 0 DCADHO COCCN(C)CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000417442026 262252140 /nfs/dbraw/zinc/25/21/40/262252140.db2.gz SEWMUVQRVUMVHQ-JKSUJKDBSA-N 1 3 320.437 0.701 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417439231 262252435 /nfs/dbraw/zinc/25/24/35/262252435.db2.gz LEJSCWYIWIAAEQ-HUUCEWRRSA-N 1 3 312.458 0.596 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCSC1 ZINC000417823056 262262605 /nfs/dbraw/zinc/26/26/05/262262605.db2.gz JGFDUQLJJAQSAW-SCRDCRAPSA-N 1 3 300.472 0.850 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCSC1 ZINC000417827024 262262993 /nfs/dbraw/zinc/26/29/93/262262993.db2.gz NOPLYLTVZJOAKY-NFAWXSAZSA-N 1 3 312.483 0.675 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417999709 262267645 /nfs/dbraw/zinc/26/76/45/262267645.db2.gz VHEAXRZNDYGPOU-CJNGLKHVSA-N 1 3 320.437 0.647 20 0 DCADHO C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])CCN1C1CCN(C)CC1 ZINC000418429165 262278130 /nfs/dbraw/zinc/27/81/30/262278130.db2.gz NLELPZFWWUKSMK-CYBMUJFWSA-N 1 3 311.474 0.534 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[NH2+]CCOC ZINC000418504577 262279723 /nfs/dbraw/zinc/27/97/23/262279723.db2.gz BYSABJKPFGUZPJ-OAHLLOKOSA-N 1 3 308.426 0.784 20 0 DCADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418783328 262289605 /nfs/dbraw/zinc/28/96/05/262289605.db2.gz FZAAEXOUNAFKND-OAHLLOKOSA-N 1 3 312.458 0.882 20 0 DCADHO C[NH+](C)CC1(CNC(=O)C(=O)N[C@H](CN)C2CC2)CCCC1 ZINC000418796602 262290737 /nfs/dbraw/zinc/29/07/37/262290737.db2.gz FEVYXZHOQCUDEU-CYBMUJFWSA-N 1 3 310.442 0.078 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000418922017 262298444 /nfs/dbraw/zinc/29/84/44/262298444.db2.gz DDPGHUOOGOROAN-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@@H]2CN)([NH+](C)C)C1 ZINC000418923912 262298600 /nfs/dbraw/zinc/29/86/00/262298600.db2.gz NCAGUJAAFFGVRD-CPUCHLNUSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](C)CN)c1 ZINC000419017196 262305309 /nfs/dbraw/zinc/30/53/09/262305309.db2.gz GUALXNNIUNVHFB-GFCCVEGCSA-N 1 3 306.410 0.218 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](C)CN)c1 ZINC000419017196 262305310 /nfs/dbraw/zinc/30/53/10/262305310.db2.gz GUALXNNIUNVHFB-GFCCVEGCSA-N 1 3 306.410 0.218 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419076313 262306836 /nfs/dbraw/zinc/30/68/36/262306836.db2.gz HDTXKDODTNRYRO-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419126279 262310697 /nfs/dbraw/zinc/31/06/97/262310697.db2.gz WHCQTZGAQMUJTA-PBHICJAKSA-N 1 3 324.469 0.564 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419135105 262313154 /nfs/dbraw/zinc/31/31/54/262313154.db2.gz KKQVQJGCYYNJQZ-BFHYXJOUSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H]1CN ZINC000419135163 262313188 /nfs/dbraw/zinc/31/31/88/262313188.db2.gz KTAUEHXIBJURMO-TUVASFSCSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419158866 262314707 /nfs/dbraw/zinc/31/47/07/262314707.db2.gz NKIFPGJLLBSKMD-QLFBSQMISA-N 1 3 324.469 0.609 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419175276 262317124 /nfs/dbraw/zinc/31/71/24/262317124.db2.gz XCSCENLUOPYFRG-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1)C1CC1 ZINC000419231154 262321588 /nfs/dbraw/zinc/32/15/88/262321588.db2.gz REMAGZKKLWRECD-CABCVRRESA-N 1 3 322.453 0.221 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232847 262321786 /nfs/dbraw/zinc/32/17/86/262321786.db2.gz VMNRCKVMFYBWCZ-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000419418598 262331689 /nfs/dbraw/zinc/33/16/89/262331689.db2.gz ILHDFLPOZVXLGN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000419416579 262331697 /nfs/dbraw/zinc/33/16/97/262331697.db2.gz WJUDFOZZPVWNMT-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000419419038 262332382 /nfs/dbraw/zinc/33/23/82/262332382.db2.gz YSPXRCPZNACVOV-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419422774 262332522 /nfs/dbraw/zinc/33/25/22/262332522.db2.gz MPHHDCXPHOGKLA-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419428041 262333208 /nfs/dbraw/zinc/33/32/08/262333208.db2.gz SMEFXRZQEMLQNV-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419502396 262336231 /nfs/dbraw/zinc/33/62/31/262336231.db2.gz CYGFLNVGHVUWQG-ZIAGYGMSSA-N 1 3 314.474 0.665 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000419518996 262336908 /nfs/dbraw/zinc/33/69/08/262336908.db2.gz FBEUGKPEBRKXGM-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419595426 262339798 /nfs/dbraw/zinc/33/97/98/262339798.db2.gz WTSMHWUUHNIFDN-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NCC[NH3+])c1ccccc1 ZINC000419645273 262343741 /nfs/dbraw/zinc/34/37/41/262343741.db2.gz IGEPDJQFEUAPNO-GFCCVEGCSA-N 1 3 306.410 0.307 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419691558 262345662 /nfs/dbraw/zinc/34/56/62/262345662.db2.gz FAAKXQJZTDQOEB-GXTWGEPZSA-N 1 3 310.442 0.219 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000419692117 262345756 /nfs/dbraw/zinc/34/57/56/262345756.db2.gz FXXFZKANLXRPIM-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000419692117 262345757 /nfs/dbraw/zinc/34/57/57/262345757.db2.gz FXXFZKANLXRPIM-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419695626 262346196 /nfs/dbraw/zinc/34/61/96/262346196.db2.gz LERRWLMVOOMCAA-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419698260 262346876 /nfs/dbraw/zinc/34/68/76/262346876.db2.gz PJVOTXVVOMWXSC-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419698560 262347417 /nfs/dbraw/zinc/34/74/17/262347417.db2.gz PUEDUBMIVCVQLH-ZIAGYGMSSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419698555 262347526 /nfs/dbraw/zinc/34/75/26/262347526.db2.gz PUEDUBMIVCVQLH-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000419963085 262354102 /nfs/dbraw/zinc/35/41/02/262354102.db2.gz YNMZJSSUIFATLP-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420075743 262359729 /nfs/dbraw/zinc/35/97/29/262359729.db2.gz KOBJKAVRCLQHON-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CCC1 ZINC000420096550 262360636 /nfs/dbraw/zinc/36/06/36/262360636.db2.gz ISDHNEYEAZARBG-MRXNPFEDSA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000420142349 262362971 /nfs/dbraw/zinc/36/29/71/262362971.db2.gz IOCMYHWFHOHBPP-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000420142349 262362972 /nfs/dbraw/zinc/36/29/72/262362972.db2.gz IOCMYHWFHOHBPP-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC000420284934 262369289 /nfs/dbraw/zinc/36/92/89/262369289.db2.gz DENZGUFZFJMMSB-HOCLYGCPSA-N 1 3 304.438 0.699 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)NC1CCN(C2CC2)CC1 ZINC000420357412 262370383 /nfs/dbraw/zinc/37/03/83/262370383.db2.gz DJHBNRABLPJJAA-XNJGSVPQSA-N 1 3 308.470 0.706 20 0 DCADHO CN1CCN(C(=O)CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000420408978 262373993 /nfs/dbraw/zinc/37/39/93/262373993.db2.gz WOXAQXJPNTWDSQ-CVEARBPZSA-N 1 3 308.470 0.615 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422180566 262399748 /nfs/dbraw/zinc/39/97/48/262399748.db2.gz FMDZBWMQKPFTGZ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)C[C@H]2N)cn1 ZINC000424242931 262487991 /nfs/dbraw/zinc/48/79/91/262487991.db2.gz RIARSGYYCPGMAW-ZIRHEVKLSA-N 1 3 317.437 0.594 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424459996 262500067 /nfs/dbraw/zinc/50/00/67/262500067.db2.gz XOTLOIJGXNAHML-UHFFFAOYSA-N 1 3 306.410 0.850 20 0 DCADHO O=C(NCCNc1ccncc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000356233434 271037307 /nfs/dbraw/zinc/03/73/07/271037307.db2.gz YBHKBPBHDCREEF-CYBMUJFWSA-N 1 3 303.410 0.699 20 0 DCADHO O=C(NCCNc1ccncc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000356233434 271037309 /nfs/dbraw/zinc/03/73/09/271037309.db2.gz YBHKBPBHDCREEF-CYBMUJFWSA-N 1 3 303.410 0.699 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000361276274 271177413 /nfs/dbraw/zinc/17/74/13/271177413.db2.gz YBQHXKWDRCGACD-DOTOQJQBSA-N 1 3 307.438 0.842 20 0 DCADHO CN1CCC[C@@H]1CC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000363458710 271190833 /nfs/dbraw/zinc/19/08/33/271190833.db2.gz AFBBFOUMVHKXHT-CZUORRHYSA-N 1 3 308.426 0.781 20 0 DCADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419027688 271265894 /nfs/dbraw/zinc/26/58/94/271265894.db2.gz PEDSZKDBUUGEGW-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419030146 271267835 /nfs/dbraw/zinc/26/78/35/271267835.db2.gz SPHWLLMKMUCJIM-MCIONIFRSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419401372 271288638 /nfs/dbraw/zinc/28/86/38/271288638.db2.gz AYYXAKHUTXNDBM-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000419523017 271298535 /nfs/dbraw/zinc/29/85/35/271298535.db2.gz NSDCOUIBXJWTPX-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C(=O)C(=O)NC[C@H]1CCCCN1CC)[C@@H]1CC[NH2+]C1 ZINC000419577339 271309263 /nfs/dbraw/zinc/30/92/63/271309263.db2.gz CWNFGNFWTLGHGF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000419885927 271337443 /nfs/dbraw/zinc/33/74/43/271337443.db2.gz ZJLWWQVRAIDNKK-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000419931903 271343885 /nfs/dbraw/zinc/34/38/85/271343885.db2.gz DGTWXPCDYMMSNT-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419933143 271344397 /nfs/dbraw/zinc/34/43/97/271344397.db2.gz FGWCJFXKVAUKNN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420035625 271353865 /nfs/dbraw/zinc/35/38/65/271353865.db2.gz ZEBINHXDQMENQK-ZDUSSCGKSA-N 1 3 320.437 0.560 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422717501 271380680 /nfs/dbraw/zinc/38/06/80/271380680.db2.gz ORIAYDLRHREQHE-KBAYOESNSA-N 1 3 324.513 0.617 20 0 DCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000422780044 271384911 /nfs/dbraw/zinc/38/49/11/271384911.db2.gz GRGSJHHIOLDFIZ-OLZOCXBDSA-N 1 3 308.426 0.958 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 ZINC000495647684 272260723 /nfs/dbraw/zinc/26/07/23/272260723.db2.gz SOWKRVMCWNPMOJ-CVEARBPZSA-N 1 3 324.469 0.833 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 ZINC000495647684 272260724 /nfs/dbraw/zinc/26/07/24/272260724.db2.gz SOWKRVMCWNPMOJ-CVEARBPZSA-N 1 3 324.469 0.833 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000519814710 272511970 /nfs/dbraw/zinc/51/19/70/272511970.db2.gz SJALVUAAVLDRQM-UHFFFAOYSA-N 1 3 311.474 0.407 20 0 DCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000364852167 287651204 /nfs/dbraw/zinc/65/12/04/287651204.db2.gz SNEIXVYILBQQPC-HRCADAONSA-N 1 3 310.486 0.987 20 0 DCADHO CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000236680057 277248221 /nfs/dbraw/zinc/24/82/21/277248221.db2.gz XKAZYNKDNPKEGS-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCN1 ZINC000333386585 278301083 /nfs/dbraw/zinc/30/10/83/278301083.db2.gz OFCZQKOUFLWOPF-HUUCEWRRSA-N 1 3 324.469 0.758 20 0 DCADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCN1CC[NH2+]CC1 ZINC000414866497 279362410 /nfs/dbraw/zinc/36/24/10/279362410.db2.gz FIADMXMGWMJXMX-CQSZACIVSA-N 1 3 311.451 0.344 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@H](C)O1 ZINC000375257505 288159739 /nfs/dbraw/zinc/15/97/39/288159739.db2.gz YPEQPTVFZILVFF-IVSAIRAKSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ncn(C)n1 ZINC000548693019 288168088 /nfs/dbraw/zinc/16/80/88/288168088.db2.gz PIBNOWSQRZAEJB-LBPRGKRZSA-N 1 3 311.434 0.011 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC000553424272 288298335 /nfs/dbraw/zinc/29/83/35/288298335.db2.gz USSJGANSEKLJLG-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC000553424272 288298338 /nfs/dbraw/zinc/29/83/38/288298338.db2.gz USSJGANSEKLJLG-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000562672234 288590007 /nfs/dbraw/zinc/59/00/07/288590007.db2.gz AQGQKRGWKBBZSW-ZDUSSCGKSA-N 1 3 323.441 0.983 20 0 DCADHO COC[C@]1(C(=O)NC[C@H]2NCCc3ccccc32)CC[NH2+]C1 ZINC000563797915 288703972 /nfs/dbraw/zinc/70/39/72/288703972.db2.gz BYXICAXJERTPMZ-WBVHZDCISA-N 1 3 303.406 0.616 20 0 DCADHO Cc1cnc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000563869518 288709620 /nfs/dbraw/zinc/70/96/20/288709620.db2.gz ANEHJYNQIFYMRW-UHFFFAOYSA-N 1 3 322.457 0.462 20 0 DCADHO CCCNC(=O)CN1CCC([NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000565416062 288850566 /nfs/dbraw/zinc/85/05/66/288850566.db2.gz OBJQXJMEDOYHSR-HOCLYGCPSA-N 1 3 310.486 0.955 20 0 DCADHO CN(C)CCN1CCC([NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329290371 289153563 /nfs/dbraw/zinc/15/35/63/289153563.db2.gz NDGVTQRAKFRUFG-AWEZNQCLSA-N 1 3 303.472 0.179 20 0 DCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000089145790 295250842 /nfs/dbraw/zinc/25/08/42/295250842.db2.gz WUXGAYQKKXNXRO-DZGCQCFKSA-N 1 3 311.451 0.984 20 0 DCADHO C[C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CCN(C2CC2)C1 ZINC000333827728 300144368 /nfs/dbraw/zinc/14/43/68/300144368.db2.gz LXXLTGUGRMFVSA-CQSZACIVSA-N 1 3 309.458 0.017 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000583988569 331517479 /nfs/dbraw/zinc/51/74/79/331517479.db2.gz DJZQDEKPKQOYKX-KBPBESRZSA-N 1 3 308.426 0.023 20 0 DCADHO CN1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000582910529 337216585 /nfs/dbraw/zinc/21/65/85/337216585.db2.gz LLJIRQPGGSMWDL-OAHLLOKOSA-N 1 3 324.469 0.123 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)C2)CC1 ZINC000582963680 337219478 /nfs/dbraw/zinc/21/94/78/337219478.db2.gz ZIZKMOMDZLPGHR-BZUAXINKSA-N 1 3 308.470 0.741 20 0 DCADHO COCC[NH2+]CCNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000583214642 337274362 /nfs/dbraw/zinc/27/43/62/337274362.db2.gz IFCVOWZESWPTCS-AWEZNQCLSA-N 1 3 300.447 0.642 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCOC2(CNC2)C1 ZINC000584665831 337380855 /nfs/dbraw/zinc/38/08/55/337380855.db2.gz BGIRLZUYRRXARG-AWEZNQCLSA-N 1 3 310.442 0.491 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000575741159 341801915 /nfs/dbraw/zinc/80/19/15/341801915.db2.gz RUSCKLWOYVQXMQ-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO N[C@H](C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCC1 ZINC000577174260 341894226 /nfs/dbraw/zinc/89/42/26/341894226.db2.gz WNCWZOYNOQBYAV-QEJZJMRPSA-N 1 3 322.453 0.221 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H](C)C(N)=O ZINC001566550183 1159829887 /nfs/dbraw/zinc/82/98/87/1159829887.db2.gz CSPHZDIIDMLNOC-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H](C)C(N)=O ZINC001566550183 1159829909 /nfs/dbraw/zinc/82/99/09/1159829909.db2.gz CSPHZDIIDMLNOC-UONOGXRCSA-N 1 3 312.458 0.561 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCNC1=O ZINC001566574729 1160071868 /nfs/dbraw/zinc/07/18/68/1160071868.db2.gz GWNKYUQBPJNRIK-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@]1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CCC[NH2+]1 ZINC000364255675 523691474 /nfs/dbraw/zinc/69/14/74/523691474.db2.gz QRGFEIVPRDBDJD-RDJZCZTQSA-N 1 3 308.470 0.757 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246791866 523825633 /nfs/dbraw/zinc/82/56/33/523825633.db2.gz QBBWNOWTPODGFP-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO [NH3+]Cc1cc(NC(=O)[C@H]2C[C@H](O)CN2)cc(C(F)(F)F)c1 ZINC000364970322 527250388 /nfs/dbraw/zinc/25/03/88/527250388.db2.gz KKUKPIXXZDSECK-WDEREUQCSA-N 1 3 303.284 0.825 20 0 DCADHO NCc1cc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc(C(F)(F)F)c1 ZINC000364970322 527250397 /nfs/dbraw/zinc/25/03/97/527250397.db2.gz KKUKPIXXZDSECK-WDEREUQCSA-N 1 3 303.284 0.825 20 0 DCADHO C[NH+](C)CCn1cc(NC(=O)[C@H](N)Cc2ccccc2)cn1 ZINC000236992664 545953004 /nfs/dbraw/zinc/95/30/04/545953004.db2.gz YUDHCIWFAFYFAI-OAHLLOKOSA-N 1 3 301.394 0.953 20 0 DCADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000312264082 546022748 /nfs/dbraw/zinc/02/27/48/546022748.db2.gz MMPYTEUYIQMXEA-ZDUSSCGKSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@H](CNC(=O)N[C@@H]1CCC[NH2+][C@@H]1C)CN1CCN(C)CC1 ZINC000333372953 546079611 /nfs/dbraw/zinc/07/96/11/546079611.db2.gz MSDRNPMOZVHENO-RBSFLKMASA-N 1 3 311.474 0.310 20 0 DCADHO O=C(NC[C@@H]1CCCCN1C1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000333733277 546090994 /nfs/dbraw/zinc/09/09/94/546090994.db2.gz IARUFSINDPBGQA-GJZGRUSLSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@@H]1C[C@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000358696812 546193596 /nfs/dbraw/zinc/19/35/96/546193596.db2.gz URHRUZWHJZFZRG-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCN1CC[C@@](C)(C(N)=O)C1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361571233 546203649 /nfs/dbraw/zinc/20/36/49/546203649.db2.gz IWLDZQHVQZNDJW-DAXOMENPSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CCN1CC[C@@](C)(C(N)=O)C1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361571233 546203651 /nfs/dbraw/zinc/20/36/51/546203651.db2.gz IWLDZQHVQZNDJW-DAXOMENPSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@@H+]1CC[C@@](C)(C(N)=O)C1)N1CC[C@@](C)(C(N)=O)C1 ZINC000361571233 546203653 /nfs/dbraw/zinc/20/36/53/546203653.db2.gz IWLDZQHVQZNDJW-DAXOMENPSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@H+]1CC[C@@](C)(C(N)=O)C1)N1CC[C@@](C)(C(N)=O)C1 ZINC000361571233 546203655 /nfs/dbraw/zinc/20/36/55/546203655.db2.gz IWLDZQHVQZNDJW-DAXOMENPSA-N 1 3 310.442 0.160 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)c1cn(CC[NH3+])nn1 ZINC000390222258 546219697 /nfs/dbraw/zinc/21/96/97/546219697.db2.gz DWEIVUDUVYTPQQ-UHFFFAOYSA-N 1 3 318.381 0.559 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637471597 546333269 /nfs/dbraw/zinc/33/32/69/546333269.db2.gz WGSQRYKDAKQZIU-HRCADAONSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637471597 546333272 /nfs/dbraw/zinc/33/32/72/546333272.db2.gz WGSQRYKDAKQZIU-HRCADAONSA-N 1 3 322.453 0.464 20 0 DCADHO COC[C@]1(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCCCN1 ZINC000638069099 546337185 /nfs/dbraw/zinc/33/71/85/546337185.db2.gz MKIWYWVSYAAAKI-CABCVRRESA-N 1 3 315.483 0.699 20 0 DCADHO CN1CCN(CCn2cc(-c3cccc(C[NH3+])c3)nn2)CC1 ZINC000656437851 546366459 /nfs/dbraw/zinc/36/64/59/546366459.db2.gz MCRWWMSZQDQVPL-UHFFFAOYSA-N 1 3 300.410 0.651 20 0 DCADHO O=C([C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)N1CCCC1 ZINC000662255778 546372544 /nfs/dbraw/zinc/37/25/44/546372544.db2.gz RKYJOHJSMVYKTB-GJZGRUSLSA-N 1 3 307.438 0.842 20 0 DCADHO O=C([C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)N1CCCC1 ZINC000662255778 546372550 /nfs/dbraw/zinc/37/25/50/546372550.db2.gz RKYJOHJSMVYKTB-GJZGRUSLSA-N 1 3 307.438 0.842 20 0 DCADHO CCC[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCN1CCOC ZINC000662278784 546374250 /nfs/dbraw/zinc/37/42/50/546374250.db2.gz APADVZUCGSBHDF-HZPDHXFCSA-N 1 3 311.470 0.940 20 0 DCADHO CCC[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1CCOC ZINC000662278782 546374719 /nfs/dbraw/zinc/37/47/19/546374719.db2.gz APADVZUCGSBHDF-CVEARBPZSA-N 1 3 311.470 0.940 20 0 DCADHO CCC[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCN1CCOC ZINC000662278785 546375152 /nfs/dbraw/zinc/37/51/52/546375152.db2.gz APADVZUCGSBHDF-JKSUJKDBSA-N 1 3 311.470 0.940 20 0 DCADHO O=C1CCCCN1C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662278806 546375204 /nfs/dbraw/zinc/37/52/04/546375204.db2.gz MDBMWXMILBRTBL-OAHLLOKOSA-N 1 3 307.438 0.984 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000665762787 546396577 /nfs/dbraw/zinc/39/65/77/546396577.db2.gz PVKUHWKBJBFFFH-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000665762787 546396579 /nfs/dbraw/zinc/39/65/79/546396579.db2.gz PVKUHWKBJBFFFH-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000665763998 546396813 /nfs/dbraw/zinc/39/68/13/546396813.db2.gz RCYSUJUHVKCJNM-OFQRWUPVSA-N 1 3 312.458 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000665763998 546396818 /nfs/dbraw/zinc/39/68/18/546396818.db2.gz RCYSUJUHVKCJNM-OFQRWUPVSA-N 1 3 312.458 0.425 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(CCO)C1CCC1 ZINC000665761957 546397787 /nfs/dbraw/zinc/39/77/87/546397787.db2.gz VWFBYHFRQSQUAM-AWEZNQCLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(CCO)C1CCC1 ZINC000665761957 546397791 /nfs/dbraw/zinc/39/77/91/546397791.db2.gz VWFBYHFRQSQUAM-AWEZNQCLSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)C1CCC1 ZINC000665763467 546398128 /nfs/dbraw/zinc/39/81/28/546398128.db2.gz BKHKKEGOIKGUPM-DZGCQCFKSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)C1CCC1 ZINC000665763467 546398130 /nfs/dbraw/zinc/39/81/30/546398130.db2.gz BKHKKEGOIKGUPM-DZGCQCFKSA-N 1 3 314.474 0.719 20 0 DCADHO COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ncn1 ZINC000666438944 546470559 /nfs/dbraw/zinc/47/05/59/546470559.db2.gz CODARSVZUCIWEG-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncn1 ZINC000666438944 546470560 /nfs/dbraw/zinc/47/05/60/546470560.db2.gz CODARSVZUCIWEG-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)[C@@H]1CCN(CC)C1 ZINC000668361885 546741373 /nfs/dbraw/zinc/74/13/73/546741373.db2.gz LIWFCCNTASGQNQ-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668670857 546817505 /nfs/dbraw/zinc/81/75/05/546817505.db2.gz SDPOOZPQGZWCTQ-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@@H](CNC(=O)NCC[NH2+]C1CC1)N1CCN(C)CC1 ZINC000669042706 546909856 /nfs/dbraw/zinc/90/98/56/546909856.db2.gz VKYBRWFARCIURG-OAHLLOKOSA-N 1 3 311.474 0.310 20 0 DCADHO COCC1(CNC(=O)N[C@H]2CCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000669491008 546978489 /nfs/dbraw/zinc/97/84/89/546978489.db2.gz HYHQSLVAKSUSFL-HNNXBMFYSA-N 1 3 324.469 0.786 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CCO1 ZINC000669571183 546992920 /nfs/dbraw/zinc/99/29/20/546992920.db2.gz KSYFRNAUSPWARS-CFVMTHIKSA-N 1 3 310.442 0.761 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000670429024 547086419 /nfs/dbraw/zinc/08/64/19/547086419.db2.gz IDNKANBKAFBNBQ-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000670629817 547117739 /nfs/dbraw/zinc/11/77/39/547117739.db2.gz OQTVJDFOSYHFFN-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@]3(C2)CCCOC3)C1=O ZINC000671191841 547175247 /nfs/dbraw/zinc/17/52/47/547175247.db2.gz JEHWMOSRWHJXOO-YOEHRIQHSA-N 1 3 323.437 0.568 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@@H](N2CC[C@@]3(C2)CCCOC3)C1=O ZINC000671191839 547175756 /nfs/dbraw/zinc/17/57/56/547175756.db2.gz JEHWMOSRWHJXOO-RHSMWYFYSA-N 1 3 323.437 0.568 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)C1CC[NH+](C)CC1 ZINC000671419162 547207396 /nfs/dbraw/zinc/20/73/96/547207396.db2.gz JZIUSVOWVIRSTJ-GFCCVEGCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000672010780 547311990 /nfs/dbraw/zinc/31/19/90/547311990.db2.gz FEQNLCGRKHRJMO-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000672010782 547312058 /nfs/dbraw/zinc/31/20/58/547312058.db2.gz FEQNLCGRKHRJMO-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000672009716 547312204 /nfs/dbraw/zinc/31/22/04/547312204.db2.gz ISVCWTBDKDTNPC-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@@H+]1C ZINC000672306580 547346189 /nfs/dbraw/zinc/34/61/89/547346189.db2.gz OXLKHUVEXXBAIU-VHDGCEQUSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@H+]1C ZINC000672306580 547346193 /nfs/dbraw/zinc/34/61/93/547346193.db2.gz OXLKHUVEXXBAIU-VHDGCEQUSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000672594267 547384783 /nfs/dbraw/zinc/38/47/83/547384783.db2.gz SODFMKGOXBXWMD-CXTNEJHOSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000672594267 547384789 /nfs/dbraw/zinc/38/47/89/547384789.db2.gz SODFMKGOXBXWMD-CXTNEJHOSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CCC1 ZINC000672794870 547408929 /nfs/dbraw/zinc/40/89/29/547408929.db2.gz DMBOXWGJWGTCJU-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(CCOC)C1 ZINC000675192125 547668337 /nfs/dbraw/zinc/66/83/37/547668337.db2.gz ULKFLFRIQCHLHK-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678581628 547993298 /nfs/dbraw/zinc/99/32/98/547993298.db2.gz ZGFXMVQKELEJTM-ZIAGYGMSSA-N 1 3 301.456 0.628 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678581628 547993302 /nfs/dbraw/zinc/99/33/02/547993302.db2.gz ZGFXMVQKELEJTM-ZIAGYGMSSA-N 1 3 301.456 0.628 20 0 DCADHO CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000685647452 548727978 /nfs/dbraw/zinc/72/79/78/548727978.db2.gz BOQOMLWEIKTAPI-LSDHHAIUSA-N 1 3 306.458 0.815 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCn1cncn1)N(C)C ZINC001667034721 1174656944 /nfs/dbraw/zinc/65/69/44/1174656944.db2.gz YVMFJAGPNOHKGU-UONOGXRCSA-N 1 3 310.446 0.301 20 0 DCADHO C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCC[NH2+]C1 ZINC000317863167 661139382 /nfs/dbraw/zinc/13/93/82/661139382.db2.gz JJUFZKPYSQZFJC-KLHDSHLOSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012367 661272202 /nfs/dbraw/zinc/27/22/02/661272202.db2.gz VMBCXODNSMBOPC-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012367 661272204 /nfs/dbraw/zinc/27/22/04/661272204.db2.gz VMBCXODNSMBOPC-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012364 661272269 /nfs/dbraw/zinc/27/22/69/661272269.db2.gz VMBCXODNSMBOPC-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012364 661272273 /nfs/dbraw/zinc/27/22/73/661272273.db2.gz VMBCXODNSMBOPC-CABCVRRESA-N 1 3 309.454 0.776 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038933819 661277031 /nfs/dbraw/zinc/27/70/31/661277031.db2.gz HSXXGXRZGSGQMF-CHWSQXEVSA-N 1 3 306.410 0.987 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038933819 661277033 /nfs/dbraw/zinc/27/70/33/661277033.db2.gz HSXXGXRZGSGQMF-CHWSQXEVSA-N 1 3 306.410 0.987 20 0 DCADHO COc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001023084456 657485807 /nfs/dbraw/zinc/48/58/07/657485807.db2.gz PHDBPJMSXFGEQI-YUELXQCFSA-N 1 3 318.421 0.779 20 0 DCADHO COc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001023084456 657485810 /nfs/dbraw/zinc/48/58/10/657485810.db2.gz PHDBPJMSXFGEQI-YUELXQCFSA-N 1 3 318.421 0.779 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023086869 657490955 /nfs/dbraw/zinc/49/09/55/657490955.db2.gz ZVKSXDBXKVBQIF-SDDRHHMPSA-N 1 3 309.439 0.535 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023086869 657490957 /nfs/dbraw/zinc/49/09/57/657490957.db2.gz ZVKSXDBXKVBQIF-SDDRHHMPSA-N 1 3 309.439 0.535 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000891575168 657496947 /nfs/dbraw/zinc/49/69/47/657496947.db2.gz FDEACIILFRUCFV-UONOGXRCSA-N 1 3 312.458 0.785 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1)N(C)C ZINC000971780481 657661324 /nfs/dbraw/zinc/66/13/24/657661324.db2.gz ZXYGHSYHIKBAAV-JKSUJKDBSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1)N(C)C ZINC000971780481 657661329 /nfs/dbraw/zinc/66/13/29/657661329.db2.gz ZXYGHSYHIKBAAV-JKSUJKDBSA-N 1 3 321.469 0.836 20 0 DCADHO C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971870434 657935637 /nfs/dbraw/zinc/93/56/37/657935637.db2.gz QLPWFGQHZLPOFY-WCQYABFASA-N 1 3 315.377 0.354 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccnn3C)C2)CC[N@@H+]1C ZINC000998794757 665531005 /nfs/dbraw/zinc/53/10/05/665531005.db2.gz GZQQNLCFRYCIGW-FKFRUQKQSA-N 1 3 319.453 0.839 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccnn3C)C2)CC[N@H+]1C ZINC000998794757 665531009 /nfs/dbraw/zinc/53/10/09/665531009.db2.gz GZQQNLCFRYCIGW-FKFRUQKQSA-N 1 3 319.453 0.839 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722847 658106422 /nfs/dbraw/zinc/10/64/22/658106422.db2.gz RGPPEZNIIQUMAH-FQUUOJAGSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC000969722847 658106429 /nfs/dbraw/zinc/10/64/29/658106429.db2.gz RGPPEZNIIQUMAH-FQUUOJAGSA-N 1 3 310.442 0.171 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)C1=O ZINC001020590442 658165467 /nfs/dbraw/zinc/16/54/67/658165467.db2.gz WTDHCXARIJEQLB-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)NC[C@H]3CNCCO3)CC2)CC1 ZINC000892179698 658270666 /nfs/dbraw/zinc/27/06/66/658270666.db2.gz KHXKSGXDXADUPN-CQSZACIVSA-N 1 3 310.442 0.492 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000892183783 658278260 /nfs/dbraw/zinc/27/82/60/658278260.db2.gz KWDSLLOZBSRKFH-KBPBESRZSA-N 1 3 310.442 0.586 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000969952060 658290617 /nfs/dbraw/zinc/29/06/17/658290617.db2.gz UUSLZZVZPZRMLO-ZIAGYGMSSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000969952060 658290623 /nfs/dbraw/zinc/29/06/23/658290623.db2.gz UUSLZZVZPZRMLO-ZIAGYGMSSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)C1 ZINC000969960717 658299772 /nfs/dbraw/zinc/29/97/72/658299772.db2.gz UNAXFFJBZPHVMS-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)C1 ZINC000969960717 658299777 /nfs/dbraw/zinc/29/97/77/658299777.db2.gz UNAXFFJBZPHVMS-UKRRQHHQSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001022715786 658366702 /nfs/dbraw/zinc/36/67/02/658366702.db2.gz MPBUGKDHQBMYIF-MELADBBJSA-N 1 3 305.426 0.499 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)ncn1 ZINC001022716022 658370177 /nfs/dbraw/zinc/37/01/77/658370177.db2.gz PMYLJEJVAZCIMG-YUELXQCFSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)ncn1 ZINC001022716022 658370182 /nfs/dbraw/zinc/37/01/82/658370182.db2.gz PMYLJEJVAZCIMG-YUELXQCFSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC001022716771 658374594 /nfs/dbraw/zinc/37/45/94/658374594.db2.gz HZISPGCDYOSNJN-OEYIWLLWSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001022716771 658374603 /nfs/dbraw/zinc/37/46/03/658374603.db2.gz HZISPGCDYOSNJN-OEYIWLLWSA-N 1 3 317.437 0.720 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000892435999 658490012 /nfs/dbraw/zinc/49/00/12/658490012.db2.gz JQZUBEVCJYTPPK-KKUMJFAQSA-N 1 3 312.458 0.650 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000892458997 658571139 /nfs/dbraw/zinc/57/11/39/658571139.db2.gz PIWUKINNYGNQRP-HLIUYOAVSA-N 1 3 310.442 0.499 20 0 DCADHO C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972332350 658577633 /nfs/dbraw/zinc/57/76/33/658577633.db2.gz BSLUDHUKFWRNAG-CZUORRHYSA-N 1 3 315.433 0.724 20 0 DCADHO C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972332350 658577637 /nfs/dbraw/zinc/57/76/37/658577637.db2.gz BSLUDHUKFWRNAG-CZUORRHYSA-N 1 3 315.433 0.724 20 0 DCADHO COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCN3C)C2)n1 ZINC001021894748 658625407 /nfs/dbraw/zinc/62/54/07/658625407.db2.gz CEWPYXDXYWHDSC-QLFBSQMISA-N 1 3 318.421 0.921 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891403484 658708001 /nfs/dbraw/zinc/70/80/01/658708001.db2.gz QTHVWHHXTOANPZ-ZIAGYGMSSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001021091930 658751362 /nfs/dbraw/zinc/75/13/62/658751362.db2.gz ZTDZKDYIEIFUOS-CQDKDKBSSA-N 1 3 318.421 0.472 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022973404 658878559 /nfs/dbraw/zinc/87/85/59/658878559.db2.gz JRDRNSLPSKGBHM-MCIONIFRSA-N 1 3 320.441 0.377 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022973404 658878568 /nfs/dbraw/zinc/87/85/68/658878568.db2.gz JRDRNSLPSKGBHM-MCIONIFRSA-N 1 3 320.441 0.377 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CC[NH2+]CCC12CCC2 ZINC000891514183 658901904 /nfs/dbraw/zinc/90/19/04/658901904.db2.gz NRIQRLFJASJNLS-CABCVRRESA-N 1 3 322.453 0.777 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000892333385 658933748 /nfs/dbraw/zinc/93/37/48/658933748.db2.gz CJVKXYKGDOWZGE-WMLDXEAASA-N 1 3 324.469 0.690 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CC1 ZINC000892333385 658933750 /nfs/dbraw/zinc/93/37/50/658933750.db2.gz CJVKXYKGDOWZGE-WMLDXEAASA-N 1 3 324.469 0.690 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001027139144 658994842 /nfs/dbraw/zinc/99/48/42/658994842.db2.gz BHFOTRZURQQWBM-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027171006 659057550 /nfs/dbraw/zinc/05/75/50/659057550.db2.gz SKABZCFIFQBMCT-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027171006 659057557 /nfs/dbraw/zinc/05/75/57/659057557.db2.gz SKABZCFIFQBMCT-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001027215280 659085302 /nfs/dbraw/zinc/08/53/02/659085302.db2.gz FXPQFIHYBLFQSB-UONOGXRCSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001027215280 659085311 /nfs/dbraw/zinc/08/53/11/659085311.db2.gz FXPQFIHYBLFQSB-UONOGXRCSA-N 1 3 306.410 0.873 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@H]3C2)C1 ZINC001026361176 659240305 /nfs/dbraw/zinc/24/03/05/659240305.db2.gz PCYJOYOCDJZKBI-SOUVJXGZSA-N 1 3 309.454 0.537 20 0 DCADHO COCCN(C)CCNC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000892688468 659285447 /nfs/dbraw/zinc/28/54/47/659285447.db2.gz XQEDQCJRURHWNZ-UHFFFAOYSA-N 1 3 302.463 0.794 20 0 DCADHO OCc1cn(CCC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)nn1 ZINC000925669756 659423148 /nfs/dbraw/zinc/42/31/48/659423148.db2.gz XGKIXBQWTJQUIX-JKSUJKDBSA-N 1 3 307.442 0.918 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1F ZINC000892790249 659458529 /nfs/dbraw/zinc/45/85/29/659458529.db2.gz YFUACLPFLXUVER-RRFJBIMHSA-N 1 3 306.385 0.782 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892803923 659461974 /nfs/dbraw/zinc/46/19/74/659461974.db2.gz PAHPGEKQSCTYGG-NVXWUHKLSA-N 1 3 320.437 0.313 20 0 DCADHO Cc1nnsc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026732830 659489999 /nfs/dbraw/zinc/48/99/99/659489999.db2.gz FZHIHBQKUOUYAS-CHWSQXEVSA-N 1 3 323.466 0.879 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC001026734749 659492380 /nfs/dbraw/zinc/49/23/80/659492380.db2.gz SOYWJTMTNPJOJX-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO CCO[C@H](CCN(C)C)C[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893366556 659508601 /nfs/dbraw/zinc/50/86/01/659508601.db2.gz DJOBDHZDZDQNFI-MGPQQGTHSA-N 1 3 306.472 0.756 20 0 DCADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999764377 665681073 /nfs/dbraw/zinc/68/10/73/665681073.db2.gz JNCPYIXIMNGGLS-GARNVTTQSA-N 1 3 319.449 0.840 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892943799 659541936 /nfs/dbraw/zinc/54/19/36/659541936.db2.gz JTAOKYSGAKUHHL-RRFJBIMHSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000892943799 659541941 /nfs/dbraw/zinc/54/19/41/659541941.db2.gz JTAOKYSGAKUHHL-RRFJBIMHSA-N 1 3 310.442 0.443 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001025778812 659554493 /nfs/dbraw/zinc/55/44/93/659554493.db2.gz FRMCWWVBYGVSKT-AALSBFMBSA-N 1 3 309.454 0.941 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001025778812 659554496 /nfs/dbraw/zinc/55/44/96/659554496.db2.gz FRMCWWVBYGVSKT-AALSBFMBSA-N 1 3 309.454 0.941 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799033 659565303 /nfs/dbraw/zinc/56/53/03/659565303.db2.gz QAFNAWSAEUJBDF-UUAJXVIYSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799033 659565304 /nfs/dbraw/zinc/56/53/04/659565304.db2.gz QAFNAWSAEUJBDF-UUAJXVIYSA-N 1 3 319.449 0.696 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000974650943 659609123 /nfs/dbraw/zinc/60/91/23/659609123.db2.gz KWJSTPKBWNOMDN-LSDHHAIUSA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000974650943 659609126 /nfs/dbraw/zinc/60/91/26/659609126.db2.gz KWJSTPKBWNOMDN-LSDHHAIUSA-N 1 3 311.470 0.783 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3cnns3)C2)CC[N@@H+]1C ZINC001026853554 659612037 /nfs/dbraw/zinc/61/20/37/659612037.db2.gz KOIGHSAYSXQCDE-MBNYWOFBSA-N 1 3 323.466 0.816 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3cnns3)C2)CC[N@H+]1C ZINC001026853554 659612039 /nfs/dbraw/zinc/61/20/39/659612039.db2.gz KOIGHSAYSXQCDE-MBNYWOFBSA-N 1 3 323.466 0.816 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019820772 659619555 /nfs/dbraw/zinc/61/95/55/659619555.db2.gz XZQNANOVDDAEJJ-JKSUJKDBSA-N 1 3 319.453 0.948 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1)N(C)C ZINC001026916557 659641504 /nfs/dbraw/zinc/64/15/04/659641504.db2.gz KEXIFSIWBADCST-DGCLKSJQSA-N 1 3 311.455 0.816 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001026916755 659641694 /nfs/dbraw/zinc/64/16/94/659641694.db2.gz NOYXFUQEBVHVPC-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999833595 665695990 /nfs/dbraw/zinc/69/59/90/665695990.db2.gz NHSJKFZVJFAGGB-UHFFFAOYSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]32)C1 ZINC001026043585 659759789 /nfs/dbraw/zinc/75/97/89/659759789.db2.gz PTPXZBCQDSHNJC-JLOCXQCDSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@H]32)C1 ZINC001026043585 659759793 /nfs/dbraw/zinc/75/97/93/659759793.db2.gz PTPXZBCQDSHNJC-JLOCXQCDSA-N 1 3 321.465 0.801 20 0 DCADHO CN1CCC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091085 659797466 /nfs/dbraw/zinc/79/74/66/659797466.db2.gz CZJPXAJRLVDFCR-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO O=C(NC[C@H]1CCCN1CCn1cccn1)C12CC[NH+](CC1)C2 ZINC001028265822 661369002 /nfs/dbraw/zinc/36/90/02/661369002.db2.gz KTSJZSRGFYGCJC-OAHLLOKOSA-N 1 3 317.437 0.560 20 0 DCADHO Cc1cc(N)nc(NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000893970284 661421503 /nfs/dbraw/zinc/42/15/03/661421503.db2.gz GCDZOCNTTHKHDR-UHFFFAOYSA-N 1 3 306.414 0.771 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1)N(C)C ZINC000982519367 661531850 /nfs/dbraw/zinc/53/18/50/661531850.db2.gz CKZKAJUTJWNLHA-OIISXLGYSA-N 1 3 311.470 0.735 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1)N(C)C ZINC000982519367 661531852 /nfs/dbraw/zinc/53/18/52/661531852.db2.gz CKZKAJUTJWNLHA-OIISXLGYSA-N 1 3 311.470 0.735 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001028551045 661604477 /nfs/dbraw/zinc/60/44/77/661604477.db2.gz YBWCLZASKFXHTK-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cnn(C)c3)C2)CC[N@H+]1C ZINC001028551045 661604479 /nfs/dbraw/zinc/60/44/79/661604479.db2.gz YBWCLZASKFXHTK-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CN2C(=O)N[C@@H](CN3CCCCC3)C2=O)C1 ZINC000924973919 661821401 /nfs/dbraw/zinc/82/14/01/661821401.db2.gz YWPVENCAEANVTH-MJBXVCDLSA-N 1 3 308.426 0.733 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173872 662025854 /nfs/dbraw/zinc/02/58/54/662025854.db2.gz SJHSVISHODDKBB-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000895665636 662204816 /nfs/dbraw/zinc/20/48/16/662204816.db2.gz DUAYRYLTMQZADI-BFHYXJOUSA-N 1 3 318.437 0.373 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000895665636 662204818 /nfs/dbraw/zinc/20/48/18/662204818.db2.gz DUAYRYLTMQZADI-BFHYXJOUSA-N 1 3 318.437 0.373 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)C2CN(C3CCOCC3)C2)n1 ZINC000895999039 662234874 /nfs/dbraw/zinc/23/48/74/662234874.db2.gz ASGJCHUSYATJDN-UHFFFAOYSA-N 1 3 321.425 0.494 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000985074192 662362190 /nfs/dbraw/zinc/36/21/90/662362190.db2.gz RGUXIQFKAXKZFP-IHRRRGAJSA-N 1 3 306.410 0.782 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985428748 662442357 /nfs/dbraw/zinc/44/23/57/662442357.db2.gz KNLQHBFVIYJJNI-CQSZACIVSA-N 1 3 310.442 0.267 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985428748 662442358 /nfs/dbraw/zinc/44/23/58/662442358.db2.gz KNLQHBFVIYJJNI-CQSZACIVSA-N 1 3 310.442 0.267 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCNC2=O)C1)C1CCC1 ZINC001029756153 662466296 /nfs/dbraw/zinc/46/62/96/662466296.db2.gz YDVJAQPBMNZFGL-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1)C1CCC1 ZINC001029756153 662466297 /nfs/dbraw/zinc/46/62/97/662466297.db2.gz YDVJAQPBMNZFGL-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986827263 662622389 /nfs/dbraw/zinc/62/23/89/662622389.db2.gz OOHMYPSABQPPND-WFASDCNBSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829987 662622897 /nfs/dbraw/zinc/62/28/97/662622897.db2.gz SWSLYGKAFRIZIK-CJNGLKHVSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@H](NCCF)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000987166637 662650121 /nfs/dbraw/zinc/65/01/21/662650121.db2.gz HWHBRPKYQDRXDI-GXTWGEPZSA-N 1 3 311.405 0.607 20 0 DCADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000987329125 662668589 /nfs/dbraw/zinc/66/85/89/662668589.db2.gz MSJOOZXMOKWGFP-IUODEOHRSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H]1[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)CN1CCCC1 ZINC000987519448 662685466 /nfs/dbraw/zinc/68/54/66/662685466.db2.gz OJKBFJLBWLUCCH-DZGCQCFKSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987564699 662687849 /nfs/dbraw/zinc/68/78/49/662687849.db2.gz BRWCZJUEXCZCBO-WFASDCNBSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC000938039327 662856281 /nfs/dbraw/zinc/85/62/81/662856281.db2.gz KQUYEMLTWYGZBZ-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC000938039327 662856283 /nfs/dbraw/zinc/85/62/83/662856283.db2.gz KQUYEMLTWYGZBZ-QLFBSQMISA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001030019502 662887367 /nfs/dbraw/zinc/88/73/67/662887367.db2.gz BZQKHJMAICZUMQ-RRFJBIMHSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000990024735 662994889 /nfs/dbraw/zinc/99/48/89/662994889.db2.gz DRVIUUNRCAINGG-CKEIUWERSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000990024735 662994890 /nfs/dbraw/zinc/99/48/90/662994890.db2.gz DRVIUUNRCAINGG-CKEIUWERSA-N 1 3 322.453 0.282 20 0 DCADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000990276445 663028013 /nfs/dbraw/zinc/02/80/13/663028013.db2.gz JHTFBLGSSBQNPK-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C12CCC2 ZINC000898836463 663109673 /nfs/dbraw/zinc/10/96/73/663109673.db2.gz UTEHXEZEWACSCK-SOUVJXGZSA-N 1 3 306.454 0.365 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900442775 663243786 /nfs/dbraw/zinc/24/37/86/663243786.db2.gz RJOVKIIXNJAHRP-JJXSEGSLSA-N 1 3 307.438 0.983 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900442775 663243788 /nfs/dbraw/zinc/24/37/88/663243788.db2.gz RJOVKIIXNJAHRP-JJXSEGSLSA-N 1 3 307.438 0.983 20 0 DCADHO CN(C(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CN2CCC1CC2 ZINC000900660244 663267180 /nfs/dbraw/zinc/26/71/80/663267180.db2.gz COBSYDPNMYCPKK-OAHLLOKOSA-N 1 3 305.426 0.611 20 0 DCADHO O=C1NCCN1[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903725839 663475221 /nfs/dbraw/zinc/47/52/21/663475221.db2.gz ICYISMCXWHPLHZ-IJEWVQPXSA-N 1 3 308.426 0.245 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000903763163 663480216 /nfs/dbraw/zinc/48/02/16/663480216.db2.gz OQLAVBQAKFHKFX-QWHCGFSZSA-N 1 3 310.442 0.123 20 0 DCADHO O=C1OCCN1C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764955 663480751 /nfs/dbraw/zinc/48/07/51/663480751.db2.gz CMPDKJILSUTBJT-GDBMZVCRSA-N 1 3 309.410 0.672 20 0 DCADHO CN(C)C(=O)N(C)[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767098 663480939 /nfs/dbraw/zinc/48/09/39/663480939.db2.gz UASGAJGSMNJQBP-IJEWVQPXSA-N 1 3 310.442 0.443 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000903785431 663484876 /nfs/dbraw/zinc/48/48/76/663484876.db2.gz WIPGAJQYGURTNT-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)NC1CC1 ZINC000903876600 663491652 /nfs/dbraw/zinc/49/16/52/663491652.db2.gz HDHFMILSLYJDFI-VHRNVKJDSA-N 1 3 306.454 0.413 20 0 DCADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCN(CC2CC2)CC1 ZINC000903885937 663492719 /nfs/dbraw/zinc/49/27/19/663492719.db2.gz PFDHYKVREBBWFZ-OAHLLOKOSA-N 1 3 304.442 0.730 20 0 DCADHO CC(=O)NCC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903885956 663492764 /nfs/dbraw/zinc/49/27/64/663492764.db2.gz MMBNZEOYZSXKTL-INIZCTEOSA-N 1 3 321.469 0.694 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903898504 663493984 /nfs/dbraw/zinc/49/39/84/663493984.db2.gz OAUPTMAGTJMAAF-VXGBXAGGSA-N 1 3 304.385 0.207 20 0 DCADHO C[C@H]([C@H](C)NCc1cnnn1[C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000903923624 663496226 /nfs/dbraw/zinc/49/62/26/663496226.db2.gz YRUNRGRGQGDXJW-RRFJBIMHSA-N 1 3 322.457 0.401 20 0 DCADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CCCC1 ZINC000906646846 663626789 /nfs/dbraw/zinc/62/67/89/663626789.db2.gz YBCXTMYOEDFOOL-GFCCVEGCSA-N 1 3 304.394 0.684 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906650161 663627253 /nfs/dbraw/zinc/62/72/53/663627253.db2.gz JGQGYUNQYDNCFM-CYBMUJFWSA-N 1 3 304.394 0.684 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)N1CCCCC1 ZINC000910946666 663961567 /nfs/dbraw/zinc/96/15/67/663961567.db2.gz OTNGCDZEKGAQHD-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911054067 663972803 /nfs/dbraw/zinc/97/28/03/663972803.db2.gz CSQKCSYSFVMKJO-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C ZINC000911054805 663973017 /nfs/dbraw/zinc/97/30/17/663973017.db2.gz LDSVRVYSWDJQAB-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911160529 663995444 /nfs/dbraw/zinc/99/54/44/663995444.db2.gz DQTCIUDVMNUNJI-RHSMWYFYSA-N 1 3 322.453 0.174 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911160530 663995465 /nfs/dbraw/zinc/99/54/65/663995465.db2.gz DQTCIUDVMNUNJI-WMLDXEAASA-N 1 3 322.453 0.174 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911222502 664007970 /nfs/dbraw/zinc/00/79/70/664007970.db2.gz FLLQJYZHHCCMQJ-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000911321904 664033169 /nfs/dbraw/zinc/03/31/69/664033169.db2.gz OSIMCHCAMGDBGJ-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000911544164 664075569 /nfs/dbraw/zinc/07/55/69/664075569.db2.gz GZUGUCYFLTVNGE-GJZGRUSLSA-N 1 3 324.469 0.687 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC000911544164 664075571 /nfs/dbraw/zinc/07/55/71/664075571.db2.gz GZUGUCYFLTVNGE-GJZGRUSLSA-N 1 3 324.469 0.687 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000911873736 664118378 /nfs/dbraw/zinc/11/83/78/664118378.db2.gz SDXMIPXOGUNAIN-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000911873736 664118379 /nfs/dbraw/zinc/11/83/79/664118379.db2.gz SDXMIPXOGUNAIN-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913275153 664296378 /nfs/dbraw/zinc/29/63/78/664296378.db2.gz SSXURNHEXFAGST-IRXDYDNUSA-N 1 3 319.453 0.859 20 0 DCADHO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000089149705 664722501 /nfs/dbraw/zinc/72/25/01/664722501.db2.gz ODRFQFZMVVDKCX-OCCSQVGLSA-N 1 3 303.472 0.908 20 0 DCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccnn1CC[NH+](C)C ZINC000913815858 664724659 /nfs/dbraw/zinc/72/46/59/664724659.db2.gz SUGPMXKOQCKVDY-KBPBESRZSA-N 1 3 305.426 0.753 20 0 DCADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015324161 664767640 /nfs/dbraw/zinc/76/76/40/664767640.db2.gz MMWUGDXYFCWDTD-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015324161 664767641 /nfs/dbraw/zinc/76/76/41/664767641.db2.gz MMWUGDXYFCWDTD-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000993848813 665011526 /nfs/dbraw/zinc/01/15/26/665011526.db2.gz XHRJEAAYONDDFT-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO CCN1CC[C@H]2OCCN(C(=S)NCCC[NH+](C)C)[C@H]2C1 ZINC000840755874 665051582 /nfs/dbraw/zinc/05/15/82/665051582.db2.gz YMJWTGCNYWRKCT-UONOGXRCSA-N 1 3 314.499 0.608 20 0 DCADHO CCN1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679224 665284992 /nfs/dbraw/zinc/28/49/92/665284992.db2.gz NFTHCFUFCCFFOK-CVEARBPZSA-N 1 3 309.454 0.801 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941665934 666040999 /nfs/dbraw/zinc/04/09/99/666040999.db2.gz KWLVPKFBSKIQMD-OAHLLOKOSA-N 1 3 308.470 0.423 20 0 DCADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665934 666041002 /nfs/dbraw/zinc/04/10/02/666041002.db2.gz KWLVPKFBSKIQMD-OAHLLOKOSA-N 1 3 308.470 0.423 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001370945 666043607 /nfs/dbraw/zinc/04/36/07/666043607.db2.gz LHQWSPSJLBVIDI-HZPDHXFCSA-N 1 3 309.454 0.847 20 0 DCADHO NC(=O)CN1CCC(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001001594449 666077639 /nfs/dbraw/zinc/07/76/39/666077639.db2.gz GRNGJUKXKPDMGF-UHFFFAOYSA-N 1 3 315.377 0.261 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031979561 666078904 /nfs/dbraw/zinc/07/89/04/666078904.db2.gz ZKXVJKVRJVDOEH-CQSZACIVSA-N 1 3 319.449 0.833 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003636842 666337220 /nfs/dbraw/zinc/33/72/20/666337220.db2.gz XGVPUGBDDSAWHA-ZFWWWQNUSA-N 1 3 320.441 0.056 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003636842 666337221 /nfs/dbraw/zinc/33/72/21/666337221.db2.gz XGVPUGBDDSAWHA-ZFWWWQNUSA-N 1 3 320.441 0.056 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276567 666658734 /nfs/dbraw/zinc/65/87/34/666658734.db2.gz DBAUXZFRDSIYCJ-GWUWNPHMSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276567 666658735 /nfs/dbraw/zinc/65/87/35/666658735.db2.gz DBAUXZFRDSIYCJ-GWUWNPHMSA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995884891 666718891 /nfs/dbraw/zinc/71/88/91/666718891.db2.gz MFJDEROHDNOMEU-UONOGXRCSA-N 1 3 324.469 0.276 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995884891 666718892 /nfs/dbraw/zinc/71/88/92/666718892.db2.gz MFJDEROHDNOMEU-UONOGXRCSA-N 1 3 324.469 0.276 20 0 DCADHO CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(CCO)C1 ZINC001033505980 666729110 /nfs/dbraw/zinc/72/91/10/666729110.db2.gz VTHIZZTTYYQHNO-INIZCTEOSA-N 1 3 305.422 0.887 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000996438220 666785604 /nfs/dbraw/zinc/78/56/04/666785604.db2.gz YCSQEZXNZVAIDP-BBRMVZONSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000996438220 666785609 /nfs/dbraw/zinc/78/56/09/666785609.db2.gz YCSQEZXNZVAIDP-BBRMVZONSA-N 1 3 324.469 0.241 20 0 DCADHO CN(C)C1(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000996440185 666786105 /nfs/dbraw/zinc/78/61/05/666786105.db2.gz HFHWYBBVHRRHGS-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000996440185 666786106 /nfs/dbraw/zinc/78/61/06/666786106.db2.gz HFHWYBBVHRRHGS-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033661628 666791609 /nfs/dbraw/zinc/79/16/09/666791609.db2.gz LXACHAHCCJEMFK-HUUCEWRRSA-N 1 3 305.426 0.368 20 0 DCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033661628 666791611 /nfs/dbraw/zinc/79/16/11/666791611.db2.gz LXACHAHCCJEMFK-HUUCEWRRSA-N 1 3 305.426 0.368 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2C[C@@H](NCCF)C(C)(C)C2)CC1 ZINC000996470748 666801972 /nfs/dbraw/zinc/80/19/72/666801972.db2.gz IIHMCZUWEWELEX-CQSZACIVSA-N 1 3 315.433 0.893 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)C1CC1 ZINC000996674155 666854686 /nfs/dbraw/zinc/85/46/86/666854686.db2.gz APCOHCRUEVECAJ-BBRMVZONSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1)C1CC1 ZINC000996677469 666858090 /nfs/dbraw/zinc/85/80/90/666858090.db2.gz JXWHZWRZVAWQSN-INIZCTEOSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000861732916 666968907 /nfs/dbraw/zinc/96/89/07/666968907.db2.gz NCSNMIXBUVLDAM-DZGCQCFKSA-N 1 3 320.437 0.081 20 0 DCADHO CC(C)[C@H](NC=O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000862166182 667024613 /nfs/dbraw/zinc/02/46/13/667024613.db2.gz AJLALLKHFSGOPW-KBPBESRZSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)[C@H](NC=O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000862166182 667024614 /nfs/dbraw/zinc/02/46/14/667024614.db2.gz AJLALLKHFSGOPW-KBPBESRZSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996993760 667060249 /nfs/dbraw/zinc/06/02/49/667060249.db2.gz DVMVZWSCGLSJHL-ZDUSSCGKSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997003985 667068874 /nfs/dbraw/zinc/06/88/74/667068874.db2.gz BCTRHGRCKNRGBR-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997003985 667068878 /nfs/dbraw/zinc/06/88/78/667068878.db2.gz BCTRHGRCKNRGBR-ZFWWWQNUSA-N 1 3 319.453 0.698 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001034567086 667073824 /nfs/dbraw/zinc/07/38/24/667073824.db2.gz VZDVYEBYPPOVOU-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001034734767 667128083 /nfs/dbraw/zinc/12/80/83/667128083.db2.gz YDPIWOXQDRKMOB-AJNGGQMLSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC001034734927 667128310 /nfs/dbraw/zinc/12/83/10/667128310.db2.gz CICIZYNFVUFSJU-KBUPBQIOSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034796777 667149611 /nfs/dbraw/zinc/14/96/11/667149611.db2.gz MTOJGCMAOIHQIM-AAVRWANBSA-N 1 3 310.442 0.362 20 0 DCADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000864056151 667206918 /nfs/dbraw/zinc/20/69/18/667206918.db2.gz FLLDKWKUEAQNRV-HZSPNIEDSA-N 1 3 310.442 0.225 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000997302865 667236490 /nfs/dbraw/zinc/23/64/90/667236490.db2.gz KMNIVHPKMNPNBM-AWEZNQCLSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000997302865 667236493 /nfs/dbraw/zinc/23/64/93/667236493.db2.gz KMNIVHPKMNPNBM-AWEZNQCLSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166349 667255994 /nfs/dbraw/zinc/25/59/94/667255994.db2.gz NJNGQLUZHFAFMX-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166349 667255997 /nfs/dbraw/zinc/25/59/97/667255997.db2.gz NJNGQLUZHFAFMX-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO Cc1ncsc1CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714608 667390263 /nfs/dbraw/zinc/39/02/63/667390263.db2.gz SYYUMWROUVKTCJ-UPJWGTAASA-N 1 3 322.434 0.861 20 0 DCADHO O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC2(CN(CCO)C2)CC1 ZINC001035707228 667402405 /nfs/dbraw/zinc/40/24/05/667402405.db2.gz STYDKFCGEOXVHT-JKSUJKDBSA-N 1 3 321.465 0.778 20 0 DCADHO O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC2(CN(CCO)C2)CC1 ZINC001035707228 667402406 /nfs/dbraw/zinc/40/24/06/667402406.db2.gz STYDKFCGEOXVHT-JKSUJKDBSA-N 1 3 321.465 0.778 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035795653 667410325 /nfs/dbraw/zinc/41/03/25/667410325.db2.gz XJMOVOMNEWUETB-GJZGRUSLSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035795653 667410327 /nfs/dbraw/zinc/41/03/27/667410327.db2.gz XJMOVOMNEWUETB-GJZGRUSLSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035834050 667413790 /nfs/dbraw/zinc/41/37/90/667413790.db2.gz GVSRJHWEWCLUAF-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035834050 667413791 /nfs/dbraw/zinc/41/37/91/667413791.db2.gz GVSRJHWEWCLUAF-HUUCEWRRSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001036192228 667430764 /nfs/dbraw/zinc/43/07/64/667430764.db2.gz HPLBEYAFTWGORU-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1[NH2+]Cc1cnns1 ZINC001036293030 667434544 /nfs/dbraw/zinc/43/45/44/667434544.db2.gz FKEGMZCNOZQELY-JSGCOSHPSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@H]1NCCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@H]1C ZINC000884272040 667512424 /nfs/dbraw/zinc/51/24/24/667512424.db2.gz OXUPMYOVZADGKI-OLZOCXBDSA-N 1 3 303.410 0.314 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](C[C@@H](O)CCc3ccccc3)C2)nn1 ZINC000923411043 667529433 /nfs/dbraw/zinc/52/94/33/667529433.db2.gz MLWFPFCLBPLLGS-SJORKVTESA-N 1 3 315.421 0.977 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)nn1 ZINC000923411043 667529435 /nfs/dbraw/zinc/52/94/35/667529435.db2.gz MLWFPFCLBPLLGS-SJORKVTESA-N 1 3 315.421 0.977 20 0 DCADHO CN(CCCCCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000884631206 667579666 /nfs/dbraw/zinc/57/96/66/667579666.db2.gz AWFIFEZFAMGWMV-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000884684095 667589251 /nfs/dbraw/zinc/58/92/51/667589251.db2.gz XESWZDOAHOJTEG-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884966539 667628871 /nfs/dbraw/zinc/62/88/71/667628871.db2.gz MZBJSNMRIIVRND-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000885206593 667652981 /nfs/dbraw/zinc/65/29/81/667652981.db2.gz KKSOSUCFJVHLPQ-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000738981970 667689022 /nfs/dbraw/zinc/68/90/22/667689022.db2.gz ATLMTWMFFUURDG-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1CN(C[C@@](C)(O)C(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000886097551 667732509 /nfs/dbraw/zinc/73/25/09/667732509.db2.gz BKOLRYQSFBZVRI-UMVBOHGHSA-N 1 3 305.413 0.960 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@](C)(O)C(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000886097551 667732510 /nfs/dbraw/zinc/73/25/10/667732510.db2.gz BKOLRYQSFBZVRI-UMVBOHGHSA-N 1 3 305.413 0.960 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)F)CC[C@H]1N1CCN(C)CC1 ZINC000886097551 667732512 /nfs/dbraw/zinc/73/25/12/667732512.db2.gz BKOLRYQSFBZVRI-UMVBOHGHSA-N 1 3 305.413 0.960 20 0 DCADHO O=C(CCC12CC(C1)C[NH2+]2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000870956230 667777622 /nfs/dbraw/zinc/77/76/22/667777622.db2.gz NUWFKBDPNJCRBW-GNHJJJEISA-N 1 3 307.438 0.888 20 0 DCADHO COC(=O)CCN(C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000743872623 667817919 /nfs/dbraw/zinc/81/79/19/667817919.db2.gz VROXEAGNGILRLP-HNNXBMFYSA-N 1 3 314.426 0.487 20 0 DCADHO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000872146188 667868338 /nfs/dbraw/zinc/86/83/38/667868338.db2.gz HRBKCFJQLAIWLD-ZJIFWQFVSA-N 1 3 309.454 0.728 20 0 DCADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000872202865 667876737 /nfs/dbraw/zinc/87/67/37/667876737.db2.gz QRUFFKAWXXIPHW-KFWWJZLASA-N 1 3 300.443 0.741 20 0 DCADHO CC(C)(O)C[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000872203346 667876753 /nfs/dbraw/zinc/87/67/53/667876753.db2.gz VMXAAIFGHVDQIB-ARFHVFGLSA-N 1 3 314.470 0.866 20 0 DCADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889756450 667991134 /nfs/dbraw/zinc/99/11/34/667991134.db2.gz MZDWEURVFYQRSU-SJORKVTESA-N 1 3 321.465 0.918 20 0 DCADHO CN1CC[NH+](CC2(C)CCN(CCN3CCOC3=O)CC2)CC1 ZINC000755235192 668058264 /nfs/dbraw/zinc/05/82/64/668058264.db2.gz HHLVTCNAMJHXGR-UHFFFAOYSA-N 1 3 324.469 0.788 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890068838 668090359 /nfs/dbraw/zinc/09/03/59/668090359.db2.gz IAWVNMZZYCPTCI-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890068838 668090365 /nfs/dbraw/zinc/09/03/65/668090365.db2.gz IAWVNMZZYCPTCI-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875215322 668282087 /nfs/dbraw/zinc/28/20/87/668282087.db2.gz IALPXWLLFODFLD-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875215322 668282089 /nfs/dbraw/zinc/28/20/89/668282089.db2.gz IALPXWLLFODFLD-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCN1C ZINC000925322679 668296668 /nfs/dbraw/zinc/29/66/68/668296668.db2.gz ALLFJXAFSRNGFD-UKRRQHHQSA-N 1 3 312.458 0.831 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCN1C ZINC000925342505 668300428 /nfs/dbraw/zinc/30/04/28/668300428.db2.gz MUTFOIYSHABXPJ-BPLDGKMQSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCN1C ZINC000925342505 668300431 /nfs/dbraw/zinc/30/04/31/668300431.db2.gz MUTFOIYSHABXPJ-BPLDGKMQSA-N 1 3 310.442 0.320 20 0 DCADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000925602812 668334523 /nfs/dbraw/zinc/33/45/23/668334523.db2.gz XZOOMVUIYQNUEO-FRRDWIJNSA-N 1 3 303.472 0.906 20 0 DCADHO CN(C)C1(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000763006926 668389969 /nfs/dbraw/zinc/38/99/69/668389969.db2.gz IITPNVHWSFPYRW-AWEZNQCLSA-N 1 3 322.453 0.411 20 0 DCADHO CN(C)C1(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000763006926 668389972 /nfs/dbraw/zinc/38/99/72/668389972.db2.gz IITPNVHWSFPYRW-AWEZNQCLSA-N 1 3 322.453 0.411 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000926319916 668393752 /nfs/dbraw/zinc/39/37/52/668393752.db2.gz JSVXHRXIIDZXIM-CABCVRRESA-N 1 3 324.469 0.372 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000876111172 668414150 /nfs/dbraw/zinc/41/41/50/668414150.db2.gz WHDRUGOGZIHZJD-BCLQGDPASA-N 1 3 312.458 0.615 20 0 DCADHO CCO[C@@H](CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1)C[NH+](C)C ZINC000926834147 668434064 /nfs/dbraw/zinc/43/40/64/668434064.db2.gz FFSBDABKJIZEFU-CABCVRRESA-N 1 3 312.458 0.831 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000876730982 668497935 /nfs/dbraw/zinc/49/79/35/668497935.db2.gz MSGZHVKNXANUKZ-APIJFGDWSA-N 1 3 315.433 0.940 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876768708 668506315 /nfs/dbraw/zinc/50/63/15/668506315.db2.gz LKXSQHDEAQRRIC-CQSZACIVSA-N 1 3 305.426 0.969 20 0 DCADHO CN(C)[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000876777931 668508706 /nfs/dbraw/zinc/50/87/06/668508706.db2.gz SYDGBSKBMSBSCS-KBPBESRZSA-N 1 3 312.845 0.948 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876780307 668509523 /nfs/dbraw/zinc/50/95/23/668509523.db2.gz DSSWDUTZBKNBPA-WBVHZDCISA-N 1 3 308.470 0.662 20 0 DCADHO [NH3+]C[C@@]1(C(=O)NC[C@H]2NCCc3ccccc32)CCCOC1 ZINC000876847808 668520146 /nfs/dbraw/zinc/52/01/46/668520146.db2.gz ZDZFGGXWEYHXHE-WBVHZDCISA-N 1 3 303.406 0.745 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337691 668603809 /nfs/dbraw/zinc/60/38/09/668603809.db2.gz SDZNQEJRDMBCKA-KGLIPLIRSA-N 1 3 311.426 0.030 20 0 DCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000877451189 668619614 /nfs/dbraw/zinc/61/96/14/668619614.db2.gz LIQHXZLCBVHURY-BYCMXARLSA-N 1 3 303.410 0.795 20 0 DCADHO [NH3+]Cc1cccc2c1N(S(=O)(=O)N1CCNCC1)CCC2 ZINC000923663156 668650420 /nfs/dbraw/zinc/65/04/20/668650420.db2.gz UWBZWENHQDLJIT-UHFFFAOYSA-N 1 3 310.423 0.048 20 0 DCADHO CN1CCN(CC(=O)NC2CC[NH+](C)CC2)C[C@H]1C(C)(C)C ZINC000878839803 668938084 /nfs/dbraw/zinc/93/80/84/668938084.db2.gz ZIMXYACJOQXICQ-HNNXBMFYSA-N 1 3 310.486 0.859 20 0 DCADHO CCn1cc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nn1 ZINC000930119130 668962697 /nfs/dbraw/zinc/96/26/97/668962697.db2.gz OPLVZNJVLKNIBU-MRXNPFEDSA-N 1 3 306.458 0.898 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000931018491 669122683 /nfs/dbraw/zinc/12/26/83/669122683.db2.gz OADVYWKCOPQGKJ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000931018491 669122686 /nfs/dbraw/zinc/12/26/86/669122686.db2.gz OADVYWKCOPQGKJ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C([C@@H]1C[C@@H]2COC[C@@H]2O1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284439 669173643 /nfs/dbraw/zinc/17/36/43/669173643.db2.gz SIWGTHSSTIUQGO-PVAVHDDUSA-N 1 3 310.438 0.977 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000932018781 669300057 /nfs/dbraw/zinc/30/00/57/669300057.db2.gz YYVPJQWMDFPUJQ-YCPHGPKFSA-N 1 3 313.442 0.898 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000932018781 669300060 /nfs/dbraw/zinc/30/00/60/669300060.db2.gz YYVPJQWMDFPUJQ-YCPHGPKFSA-N 1 3 313.442 0.898 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000883659861 669727048 /nfs/dbraw/zinc/72/70/48/669727048.db2.gz VSIVEQRCRXLIEN-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CCN1CCC(N(C)S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000042689833 669828846 /nfs/dbraw/zinc/82/88/46/669828846.db2.gz RIVUCTMXIPSBGT-UHFFFAOYSA-N 1 3 303.472 0.732 20 0 DCADHO COc1cnccc1N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000796576665 669935854 /nfs/dbraw/zinc/93/58/54/669935854.db2.gz VVMAGNOGFFOFRW-HNNXBMFYSA-N 1 3 320.437 0.669 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000950819221 670132324 /nfs/dbraw/zinc/13/23/24/670132324.db2.gz ARPNUVKRJOKQPK-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CSC(=O)N1 ZINC000855346371 670700502 /nfs/dbraw/zinc/70/05/02/670700502.db2.gz YZYLTTPSFLNBQC-QWRGUYRKSA-N 1 3 302.444 0.200 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CSC(=O)N1 ZINC000855346371 670700506 /nfs/dbraw/zinc/70/05/06/670700506.db2.gz YZYLTTPSFLNBQC-QWRGUYRKSA-N 1 3 302.444 0.200 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1ccccn1 ZINC000855346746 670700522 /nfs/dbraw/zinc/70/05/22/670700522.db2.gz KYEBDMCMBLTRCP-DZGCQCFKSA-N 1 3 308.426 0.503 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1ccccn1 ZINC000855346746 670700524 /nfs/dbraw/zinc/70/05/24/670700524.db2.gz KYEBDMCMBLTRCP-DZGCQCFKSA-N 1 3 308.426 0.503 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000848615020 670706310 /nfs/dbraw/zinc/70/63/10/670706310.db2.gz ZEQFPKGNUSNYGA-CABCVRRESA-N 1 3 324.469 0.755 20 0 DCADHO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000848616881 670706425 /nfs/dbraw/zinc/70/64/25/670706425.db2.gz WSVMFXMQNLEAFS-RRFJBIMHSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CCCCC1 ZINC000848995641 670746796 /nfs/dbraw/zinc/74/67/96/670746796.db2.gz XYGXZAOHJVHOFV-OAHLLOKOSA-N 1 3 311.474 0.697 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000849049706 670756710 /nfs/dbraw/zinc/75/67/10/670756710.db2.gz KLNHNBZJNAFKBB-CHWSQXEVSA-N 1 3 309.414 0.568 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000849484295 670811398 /nfs/dbraw/zinc/81/13/98/670811398.db2.gz AEQCSAAWPRJOPQ-GJZGRUSLSA-N 1 3 321.469 0.912 20 0 DCADHO CON(C)C(=O)CC[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000819174792 671100115 /nfs/dbraw/zinc/10/01/15/671100115.db2.gz RHGVMFVSFGJKCO-LSDHHAIUSA-N 1 3 313.442 0.754 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCOC(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000852747081 671155393 /nfs/dbraw/zinc/15/53/93/671155393.db2.gz WZHZIZJHUOVNPP-RYUDHWBXSA-N 1 3 305.369 0.806 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)=NO1 ZINC000852868912 671180192 /nfs/dbraw/zinc/18/01/92/671180192.db2.gz PBYPBKXYXASEEU-GJZGRUSLSA-N 1 3 316.405 0.871 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000824820459 671441145 /nfs/dbraw/zinc/44/11/45/671441145.db2.gz ZJZJFJQDMNBCHH-AYCBFJCHSA-N 1 3 309.454 0.798 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000824820459 671441148 /nfs/dbraw/zinc/44/11/48/671441148.db2.gz ZJZJFJQDMNBCHH-AYCBFJCHSA-N 1 3 309.454 0.798 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000829435375 671575788 /nfs/dbraw/zinc/57/57/88/671575788.db2.gz BORWLDJPMVUWFB-CQSZACIVSA-N 1 3 311.426 0.505 20 0 DCADHO C[C@H]1CCCN1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000831970308 671693994 /nfs/dbraw/zinc/69/39/94/671693994.db2.gz CAJIKJQDCKBWKX-QWHCGFSZSA-N 1 3 306.414 0.417 20 0 DCADHO CCN(CCO)CCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841926292 671966547 /nfs/dbraw/zinc/96/65/47/671966547.db2.gz COBALUKCPJJYAC-UHFFFAOYSA-N 1 3 308.426 0.301 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000842016030 671974536 /nfs/dbraw/zinc/97/45/36/671974536.db2.gz QTHOFMOLBGTKCW-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)N1CCCCC1 ZINC000842016456 671974889 /nfs/dbraw/zinc/97/48/89/671974889.db2.gz VWOVHYNUMFEKCZ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842194181 671992362 /nfs/dbraw/zinc/99/23/62/671992362.db2.gz YBYJSSVZMNRTPV-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904567 685894828 /nfs/dbraw/zinc/89/48/28/685894828.db2.gz FPXINWQHUSCKJD-ZFWWWQNUSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000953904567 685894831 /nfs/dbraw/zinc/89/48/31/685894831.db2.gz FPXINWQHUSCKJD-ZFWWWQNUSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954323531 685994912 /nfs/dbraw/zinc/99/49/12/685994912.db2.gz YXOWYGQNIPTNSM-KBPBESRZSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000954323531 685994915 /nfs/dbraw/zinc/99/49/15/685994915.db2.gz YXOWYGQNIPTNSM-KBPBESRZSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954323534 685995165 /nfs/dbraw/zinc/99/51/65/685995165.db2.gz YXOWYGQNIPTNSM-UONOGXRCSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954323534 685995169 /nfs/dbraw/zinc/99/51/69/685995169.db2.gz YXOWYGQNIPTNSM-UONOGXRCSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000954662113 686092015 /nfs/dbraw/zinc/09/20/15/686092015.db2.gz VIHIMRUXJWHEKF-OAHLLOKOSA-N 1 3 324.469 0.338 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCO)CC2 ZINC000957516716 687075826 /nfs/dbraw/zinc/07/58/26/687075826.db2.gz AJNQCWLGHCWJQG-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2C[C@@H]2CCCOC2)CC1 ZINC001038664341 694154180 /nfs/dbraw/zinc/15/41/80/694154180.db2.gz SYAZHUWTZMPBEN-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000960070297 688293020 /nfs/dbraw/zinc/29/30/20/688293020.db2.gz HQUJZCJMUVCWME-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO Cc1ncccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962551229 688938526 /nfs/dbraw/zinc/93/85/26/688938526.db2.gz HRGSGAHIPHLYPD-MWDXBVQZSA-N 1 3 314.433 0.888 20 0 DCADHO Cc1ncccc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962551229 688938527 /nfs/dbraw/zinc/93/85/27/688938527.db2.gz HRGSGAHIPHLYPD-MWDXBVQZSA-N 1 3 314.433 0.888 20 0 DCADHO CCn1ccc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000962699989 688968084 /nfs/dbraw/zinc/96/80/84/688968084.db2.gz BGBPEZWCSOHABG-NPCAHTBFSA-N 1 3 319.453 0.839 20 0 DCADHO CCn1ccc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000962699989 688968087 /nfs/dbraw/zinc/96/80/87/688968087.db2.gz BGBPEZWCSOHABG-NPCAHTBFSA-N 1 3 319.453 0.839 20 0 DCADHO Cc1nocc1CNCC1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000962703031 688968486 /nfs/dbraw/zinc/96/84/86/688968486.db2.gz OUOYMZZKAHXYST-JVWICGRDSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CNCC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000962703031 688968488 /nfs/dbraw/zinc/96/84/88/688968488.db2.gz OUOYMZZKAHXYST-JVWICGRDSA-N 1 3 306.410 0.919 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962784798 688979646 /nfs/dbraw/zinc/97/96/46/688979646.db2.gz ZJVQTNXFWJZQSX-KKBVYLPWSA-N 1 3 317.433 0.789 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962784798 688979649 /nfs/dbraw/zinc/97/96/49/688979649.db2.gz ZJVQTNXFWJZQSX-KKBVYLPWSA-N 1 3 317.433 0.789 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000963912574 689109658 /nfs/dbraw/zinc/10/96/58/689109658.db2.gz MIBWPOJHOVQKPL-HSBZDZAISA-N 1 3 310.442 0.173 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000967925078 690124522 /nfs/dbraw/zinc/12/45/22/690124522.db2.gz NGWSNOLVZBNQFA-HZPDHXFCSA-N 1 3 319.453 0.785 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967975803 690140566 /nfs/dbraw/zinc/14/05/66/690140566.db2.gz YXNRLSMDFCQKIX-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967975803 690140568 /nfs/dbraw/zinc/14/05/68/690140568.db2.gz YXNRLSMDFCQKIX-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000969097322 690469176 /nfs/dbraw/zinc/46/91/76/690469176.db2.gz AQBFNZRDASUFKD-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007987606 690784167 /nfs/dbraw/zinc/78/41/67/690784167.db2.gz DLSKSCRXZXSZJX-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001007987606 690784171 /nfs/dbraw/zinc/78/41/71/690784171.db2.gz DLSKSCRXZXSZJX-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCN(CCCO)C2)cc1 ZINC001015713628 692413035 /nfs/dbraw/zinc/41/30/35/692413035.db2.gz PZOXBNJMDMVIML-QGZVFWFLSA-N 1 3 319.449 0.977 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](C[C@@H](C)O)CC2 ZINC001016949985 692811200 /nfs/dbraw/zinc/81/12/00/692811200.db2.gz IAFDJROULNCCFD-RISCZKNCSA-N 1 3 306.410 0.612 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001018856525 693264053 /nfs/dbraw/zinc/26/40/53/693264053.db2.gz IMOSWNPMUJEDJU-HOTGVXAUSA-N 1 3 317.437 0.452 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CCC1 ZINC001018963217 693298390 /nfs/dbraw/zinc/29/83/90/693298390.db2.gz DSOORNYJQUHSGA-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001019043817 693334600 /nfs/dbraw/zinc/33/46/00/693334600.db2.gz IRKQVXRRICQXGD-HOTGVXAUSA-N 1 3 319.453 0.903 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001019381042 693454711 /nfs/dbraw/zinc/45/47/11/693454711.db2.gz WQKDQYYJFKSOLZ-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001019381042 693454713 /nfs/dbraw/zinc/45/47/13/693454713.db2.gz WQKDQYYJFKSOLZ-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC001019774665 693584466 /nfs/dbraw/zinc/58/44/66/693584466.db2.gz CSDDPCIIXXSNSA-HNNXBMFYSA-N 1 3 305.426 0.249 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)O)C2 ZINC001073462706 694729222 /nfs/dbraw/zinc/72/92/22/694729222.db2.gz XFJHEMPAAVAHPY-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001073462706 694729225 /nfs/dbraw/zinc/72/92/25/694729225.db2.gz XFJHEMPAAVAHPY-LSDHHAIUSA-N 1 3 309.454 0.776 20 0 DCADHO CCn1nncc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075107128 694938397 /nfs/dbraw/zinc/93/83/97/694938397.db2.gz RKZUJSYKGCQMGT-GUTXKFCHSA-N 1 3 320.441 0.329 20 0 DCADHO CCn1nncc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075107128 694938398 /nfs/dbraw/zinc/93/83/98/694938398.db2.gz RKZUJSYKGCQMGT-GUTXKFCHSA-N 1 3 320.441 0.329 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)CCN1C(=O)CN1CCCC1 ZINC001075110893 694938785 /nfs/dbraw/zinc/93/87/85/694938785.db2.gz DBHZFNIUOCGGSI-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070695 694996992 /nfs/dbraw/zinc/99/69/92/694996992.db2.gz XCISJYIEHHMQQW-HNCZQISISA-N 1 3 319.449 0.792 20 0 DCADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070695 694996993 /nfs/dbraw/zinc/99/69/93/694996993.db2.gz XCISJYIEHHMQQW-HNCZQISISA-N 1 3 319.449 0.792 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)n[nH]1 ZINC001571465863 1162770242 /nfs/dbraw/zinc/77/02/42/1162770242.db2.gz MGJTUKDBBJTAAA-TZMCWYRMSA-N 1 3 322.457 0.924 20 0 DCADHO COCC[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001691475984 1157789038 /nfs/dbraw/zinc/78/90/38/1157789038.db2.gz ACQRPLXWKMLJFD-OAHLLOKOSA-N 1 3 303.422 0.893 20 0 DCADHO CN(CCOCCNC/C=C/Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001571679059 1162894812 /nfs/dbraw/zinc/89/48/12/1162894812.db2.gz LMUOWJREIZVKLI-LQPUYASZSA-N 1 3 303.834 0.755 20 0 DCADHO CN(CCOCCNC/C=C/Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571679059 1162894823 /nfs/dbraw/zinc/89/48/23/1162894823.db2.gz LMUOWJREIZVKLI-LQPUYASZSA-N 1 3 303.834 0.755 20 0 DCADHO CC(C)N1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001752355648 1157916281 /nfs/dbraw/zinc/91/62/81/1157916281.db2.gz XXRZWTXSGJIOKZ-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)N1CCN(CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752355648 1157916287 /nfs/dbraw/zinc/91/62/87/1157916287.db2.gz XXRZWTXSGJIOKZ-MRXNPFEDSA-N 1 3 310.486 0.861 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCn1cccn1 ZINC001671373549 1157958490 /nfs/dbraw/zinc/95/84/90/1157958490.db2.gz PLIPTHOWJGAINU-HNNXBMFYSA-N 1 3 307.442 0.806 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001648974750 1158222258 /nfs/dbraw/zinc/22/22/58/1158222258.db2.gz GLOYMRBVSIIRDF-OIISXLGYSA-N 1 3 319.449 0.984 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001648975188 1158222833 /nfs/dbraw/zinc/22/28/33/1158222833.db2.gz GWJIYCWFBCKVMF-OWCLPIDISA-N 1 3 309.454 0.848 20 0 DCADHO CCO[C@@H]1CN(C(=O)c2cccc3c2OCCNC3)C[C@H]1C[NH3+] ZINC001649023435 1158492488 /nfs/dbraw/zinc/49/24/88/1158492488.db2.gz NCYZGLQKHDWUDG-UKRRQHHQSA-N 1 3 319.405 0.604 20 0 DCADHO C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001649078762 1158633282 /nfs/dbraw/zinc/63/32/82/1158633282.db2.gz NGFWPHQOEGVJNF-RDBSUJKOSA-N 1 3 317.437 0.702 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C)C(N)=O ZINC001082585980 1158754698 /nfs/dbraw/zinc/75/46/98/1158754698.db2.gz UPORFCBORBFMGS-HZSPNIEDSA-N 1 3 322.453 0.173 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001720092446 1158951549 /nfs/dbraw/zinc/95/15/49/1158951549.db2.gz GNMLBIFGVJZKRD-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001445956876 1159323602 /nfs/dbraw/zinc/32/36/02/1159323602.db2.gz PSYCRGAOAKFQKQ-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(C[C@H]2CCc3ncnn32)C1 ZINC001446552468 1159469316 /nfs/dbraw/zinc/46/93/16/1159469316.db2.gz BYKBHYBPTDYINT-CJNGLKHVSA-N 1 3 320.441 0.298 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@]1(C)CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001446552465 1159469397 /nfs/dbraw/zinc/46/93/97/1159469397.db2.gz BYKBHYBPTDYINT-BBRMVZONSA-N 1 3 320.441 0.298 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NCC3CC3)CCC2)C1 ZINC001447262916 1159605878 /nfs/dbraw/zinc/60/58/78/1159605878.db2.gz HPVFATBRKQJDLU-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NCC3CC3)CCC2)C1 ZINC001447262916 1159605882 /nfs/dbraw/zinc/60/58/82/1159605882.db2.gz HPVFATBRKQJDLU-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC)[C@@H]2C1 ZINC001449058331 1159738452 /nfs/dbraw/zinc/73/84/52/1159738452.db2.gz ZDZGFYTZPZNCKV-RRFJBIMHSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCNC1=O ZINC001566574729 1160071860 /nfs/dbraw/zinc/07/18/60/1160071860.db2.gz GWNKYUQBPJNRIK-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001567088267 1160236541 /nfs/dbraw/zinc/23/65/41/1160236541.db2.gz JFEVGFBTXZVONA-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001567497325 1160397195 /nfs/dbraw/zinc/39/71/95/1160397195.db2.gz UNHQQNSSFTVRQW-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001567497325 1160397203 /nfs/dbraw/zinc/39/72/03/1160397203.db2.gz UNHQQNSSFTVRQW-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001568714693 1160746073 /nfs/dbraw/zinc/74/60/73/1160746073.db2.gz XVPAARCZRLVKDG-AWEZNQCLSA-N 1 3 322.453 0.710 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCO1 ZINC001570152981 1161453198 /nfs/dbraw/zinc/45/31/98/1161453198.db2.gz BLABGVFFUPENCQ-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@]2(O)CCCNC2)C1 ZINC001573408358 1163429405 /nfs/dbraw/zinc/42/94/05/1163429405.db2.gz XDRWQOVFFBFCSI-PBHICJAKSA-N 1 3 311.470 0.975 20 0 DCADHO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@]2(O)CCCNC2)C1 ZINC001573408358 1163429411 /nfs/dbraw/zinc/42/94/11/1163429411.db2.gz XDRWQOVFFBFCSI-PBHICJAKSA-N 1 3 311.470 0.975 20 0 DCADHO CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)C2CNC2)CC1 ZINC001573645313 1163520638 /nfs/dbraw/zinc/52/06/38/1163520638.db2.gz BLJPYLHEUBLNFG-CQSZACIVSA-N 1 3 315.483 0.874 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001575141453 1163916428 /nfs/dbraw/zinc/91/64/28/1163916428.db2.gz XIXCMIOSDLITHN-GJZGRUSLSA-N 1 3 323.485 0.548 20 0 DCADHO CC(C)(C[NH3+])CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001575310286 1163969501 /nfs/dbraw/zinc/96/95/01/1163969501.db2.gz DSNUBVOIMFTAKS-ZDUSSCGKSA-N 1 3 310.442 0.302 20 0 DCADHO CC(C)(CNS(N)(=O)=O)NCc1cc2c(s1)CC[NH2+]C2 ZINC001575334712 1163979166 /nfs/dbraw/zinc/97/91/66/1163979166.db2.gz PAXPBVMYFVCGCG-UHFFFAOYSA-N 1 3 318.468 0.055 20 0 DCADHO C[C@H](CCCNCc1cn[nH]n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575532361 1164051063 /nfs/dbraw/zinc/05/10/63/1164051063.db2.gz YPEZTHNAOBEWEH-DOMZBBRYSA-N 1 3 320.441 0.521 20 0 DCADHO CC(C)N1CCC[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001575701170 1164112689 /nfs/dbraw/zinc/11/26/89/1164112689.db2.gz XBTMTIGHLQEPPO-KGLIPLIRSA-N 1 3 320.441 0.805 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCCNC(=O)CC[NH+](C)C ZINC001575912045 1164182438 /nfs/dbraw/zinc/18/24/38/1164182438.db2.gz FHJYVCKYMNAFKX-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC1(C)OC[C@H](CC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)O1 ZINC001576495765 1164366400 /nfs/dbraw/zinc/36/64/00/1164366400.db2.gz UOYHPZCDNQBGJI-KGLIPLIRSA-N 1 3 309.414 0.915 20 0 DCADHO CC1(C)OC[C@H](CC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)O1 ZINC001576495765 1164366403 /nfs/dbraw/zinc/36/64/03/1164366403.db2.gz UOYHPZCDNQBGJI-KGLIPLIRSA-N 1 3 309.414 0.915 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC001576570813 1164397675 /nfs/dbraw/zinc/39/76/75/1164397675.db2.gz BBKDCRJBSPUOHM-AWEZNQCLSA-N 1 3 324.469 0.864 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC001576574542 1164399877 /nfs/dbraw/zinc/39/98/77/1164399877.db2.gz UIMDBFLVJOIDHX-XBFCOCLRSA-N 1 3 308.426 0.095 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576821698 1164482873 /nfs/dbraw/zinc/48/28/73/1164482873.db2.gz HXWLTLCJGIMDKN-CABCVRRESA-N 1 3 320.441 0.412 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CCc1cn[nH]n1 ZINC001576821698 1164482878 /nfs/dbraw/zinc/48/28/78/1164482878.db2.gz HXWLTLCJGIMDKN-CABCVRRESA-N 1 3 320.441 0.412 20 0 DCADHO CC[C@H](CN1CCOCC1)N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001577084749 1164599012 /nfs/dbraw/zinc/59/90/12/1164599012.db2.gz GXXSPGKSTIAJSC-YYIAUSFCSA-N 1 3 311.470 0.844 20 0 DCADHO CCC([NH3+])(CC)CNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001577109656 1164604726 /nfs/dbraw/zinc/60/47/26/1164604726.db2.gz UCIBWUDSZKFYIJ-ZDUSSCGKSA-N 1 3 303.472 0.909 20 0 DCADHO C[C@@H](CNCc1c[nH]nn1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001577138862 1164613205 /nfs/dbraw/zinc/61/32/05/1164613205.db2.gz SONQORHLEQGJCK-ZDUSSCGKSA-N 1 3 322.457 0.911 20 0 DCADHO CCN1C[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C(C)(C)C1 ZINC001577760091 1164783638 /nfs/dbraw/zinc/78/36/38/1164783638.db2.gz LVBVMINGCVICMF-CQSZACIVSA-N 1 3 319.453 0.808 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001578472732 1165028937 /nfs/dbraw/zinc/02/89/37/1165028937.db2.gz DJBZTYMRVCNTAY-JCNLHEQBSA-N 1 3 305.422 0.428 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001578527979 1165044678 /nfs/dbraw/zinc/04/46/78/1165044678.db2.gz AGLJKFPIKHYBJM-KFWWJZLASA-N 1 3 322.453 0.269 20 0 DCADHO CN(C(=O)c1cnn2cc(CC[NH3+])cnc12)[C@H]1CCCN(C)C1 ZINC001578529560 1165046985 /nfs/dbraw/zinc/04/69/85/1165046985.db2.gz YQWAIMANHCMRAY-ZDUSSCGKSA-N 1 3 316.409 0.397 20 0 DCADHO CN1CCN(c2ncnc3c2ncn3C2C[NH2+]C2)CC1(C)C ZINC001578536976 1165050910 /nfs/dbraw/zinc/05/09/10/1165050910.db2.gz LCBOPEKESNLYNW-UHFFFAOYSA-N 1 3 301.398 0.501 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC001578640109 1165073882 /nfs/dbraw/zinc/07/38/82/1165073882.db2.gz FBWSKDHJSRUPRT-LZWOXQAQSA-N 1 3 307.438 0.840 20 0 DCADHO COC(=O)[C@@]1(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)CCOC1 ZINC001578781064 1165108035 /nfs/dbraw/zinc/10/80/35/1165108035.db2.gz MANMJJUWKMKXSO-XJKSGUPXSA-N 1 3 324.425 0.015 20 0 DCADHO COC(=O)[C@@]1(C[NH2+]C[C@H](CN)Cc2cnn(C)c2C)CCOC1 ZINC001578781064 1165108038 /nfs/dbraw/zinc/10/80/38/1165108038.db2.gz MANMJJUWKMKXSO-XJKSGUPXSA-N 1 3 324.425 0.015 20 0 DCADHO COc1cccc([C@H](CNC(=O)C[C@@H](O)C[NH3+])N2CCCC2)c1 ZINC001579258762 1165252201 /nfs/dbraw/zinc/25/22/01/1165252201.db2.gz APZKLOLCOMKFER-ZBFHGGJFSA-N 1 3 321.421 0.658 20 0 DCADHO N[C@@H](C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1)C1CCC1 ZINC001580108168 1165506857 /nfs/dbraw/zinc/50/68/57/1165506857.db2.gz AISGIOSKTMYXBV-OAHLLOKOSA-N 1 3 309.454 0.953 20 0 DCADHO O=C(CCN1CCC([NH2+]C2CCOCC2)CC1)N1CCNCC1 ZINC001580533488 1165632028 /nfs/dbraw/zinc/63/20/28/1165632028.db2.gz BGRRJKAWOIGDCB-UHFFFAOYSA-N 1 3 324.469 0.041 20 0 DCADHO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CNCc2ccccc21 ZINC001580590649 1165647435 /nfs/dbraw/zinc/64/74/35/1165647435.db2.gz LJAXADDBWABGFW-GDBMZVCRSA-N 1 3 303.406 0.446 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001580590649 1165647441 /nfs/dbraw/zinc/64/74/41/1165647441.db2.gz LJAXADDBWABGFW-GDBMZVCRSA-N 1 3 303.406 0.446 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001580612159 1165657683 /nfs/dbraw/zinc/65/76/83/1165657683.db2.gz UTQNZVOCLHSCKK-HUUCEWRRSA-N 1 3 323.437 0.125 20 0 DCADHO O=C1CNC(=O)N1CCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC001580849671 1165736732 /nfs/dbraw/zinc/73/67/32/1165736732.db2.gz FKOMJYDOMJOLNW-KGLIPLIRSA-N 1 3 308.426 0.782 20 0 DCADHO C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(-c2nnn[n-]2)n1 ZINC001604687179 1169656439 /nfs/dbraw/zinc/65/64/39/1169656439.db2.gz YJUWWYCNPXDCMU-UHFFFAOYSA-N 1 3 318.429 0.187 20 0 DCADHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001650156354 1171547473 /nfs/dbraw/zinc/54/74/73/1171547473.db2.gz BLOVXCNTEDYNQI-GJZGRUSLSA-N 1 3 300.443 0.864 20 0 DCADHO C[N@@H+]1CCCC[C@@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC001650156354 1171547479 /nfs/dbraw/zinc/54/74/79/1171547479.db2.gz BLOVXCNTEDYNQI-GJZGRUSLSA-N 1 3 300.443 0.864 20 0 DCADHO C[N@H+]1CCCC[C@@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC001650156354 1171547482 /nfs/dbraw/zinc/54/74/82/1171547482.db2.gz BLOVXCNTEDYNQI-GJZGRUSLSA-N 1 3 300.443 0.864 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(N)=O)CC2)CC1 ZINC001645808078 1172150909 /nfs/dbraw/zinc/15/09/09/1172150909.db2.gz MDYJDOXFYLVCSM-UHFFFAOYSA-N 1 3 310.442 0.174 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)C3(C)C[NH2+]C3)c2)CC1 ZINC001645863182 1172162287 /nfs/dbraw/zinc/16/22/87/1172162287.db2.gz GLJJHWSQABLRKQ-UHFFFAOYSA-N 1 3 316.449 0.660 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001646554504 1172423499 /nfs/dbraw/zinc/42/34/99/1172423499.db2.gz XGLKGWRUTIMGNB-ILXRZTDVSA-N 1 3 311.474 0.167 20 0 DCADHO COCC1(CNC(=O)c2cc3n(n2)CCC[C@@H]3N)CC[NH2+]CC1 ZINC001646746298 1172505998 /nfs/dbraw/zinc/50/59/98/1172505998.db2.gz CPUOOEXLKJXCNI-LBPRGKRZSA-N 1 3 321.425 0.423 20 0 DCADHO CC(C)CC[C@H](N)C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001646795132 1172536848 /nfs/dbraw/zinc/53/68/48/1172536848.db2.gz ONBHUVUTKHKCTC-BLLLJJGKSA-N 1 3 305.426 0.747 20 0 DCADHO NC1(C(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC2(CCC2)C1 ZINC001646800002 1172539556 /nfs/dbraw/zinc/53/95/56/1172539556.db2.gz TWKCYQMVKAGTFV-LBPRGKRZSA-N 1 3 321.421 0.450 20 0 DCADHO CCCN1CCCC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC001647246759 1172762112 /nfs/dbraw/zinc/76/21/12/1172762112.db2.gz OCWJCUOZJRQVPK-GJZGRUSLSA-N 1 3 324.469 0.829 20 0 DCADHO CC(C)COCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001649461437 1173141964 /nfs/dbraw/zinc/14/19/64/1173141964.db2.gz XXQSKXJIJBCQLJ-HNNXBMFYSA-N 1 3 324.425 0.442 20 0 DCADHO C[C@@H]([NH3+])CC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001649960363 1173339881 /nfs/dbraw/zinc/33/98/81/1173339881.db2.gz ITGHEZSOBICAPZ-CQSZACIVSA-N 1 3 304.438 0.788 20 0 DCADHO CN1CCNC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001650339081 1173577195 /nfs/dbraw/zinc/57/71/95/1173577195.db2.gz RTQFRZCCIGUKPO-MRXNPFEDSA-N 1 3 308.470 0.803 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001650341113 1173579143 /nfs/dbraw/zinc/57/91/43/1173579143.db2.gz KIJJZVKITBMEGN-DIOULYMOSA-N 1 3 306.410 0.484 20 0 DCADHO N[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CCCCCC1 ZINC001650345723 1173582778 /nfs/dbraw/zinc/58/27/78/1173582778.db2.gz IERQOZWDFDKDGN-JKSUJKDBSA-N 1 3 308.470 0.790 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc3c2OCCNC3)CCCO1 ZINC001650357828 1173589924 /nfs/dbraw/zinc/58/99/24/1173589924.db2.gz LWBWYEBSMWGJDE-CYBMUJFWSA-N 1 3 305.378 0.358 20 0 DCADHO O=C(c1cccc2c1OCCNC2)N1CCC2(C[NH2+]C2)CC1 ZINC001650364200 1173593860 /nfs/dbraw/zinc/59/38/60/1173593860.db2.gz IHAQNSVHAJKPID-UHFFFAOYSA-N 1 3 301.390 0.994 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NCC34CC(C3)C[NH2+]4)ccc2NC1=O ZINC001650369201 1173597271 /nfs/dbraw/zinc/59/72/71/1173597271.db2.gz QVSMHQUFEFCJBG-LBCLYVMASA-N 1 3 314.389 0.380 20 0 DCADHO CN1CCNC[C@H]1C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001650409371 1173626720 /nfs/dbraw/zinc/62/67/20/1173626720.db2.gz AQNFYVJSHHEHNQ-BBRMVZONSA-N 1 3 302.422 0.444 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4n(n3)CCC[C@H]4N)[C@H]2C1 ZINC001650436762 1173640072 /nfs/dbraw/zinc/64/00/72/1173640072.db2.gz ISLGBNKTWBXUND-RVMXOQNASA-N 1 3 303.410 0.747 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4n(n3)CCC[C@H]4N)[C@H]2C1 ZINC001650436762 1173640077 /nfs/dbraw/zinc/64/00/77/1173640077.db2.gz ISLGBNKTWBXUND-RVMXOQNASA-N 1 3 303.410 0.747 20 0 DCADHO C[C@H](O)CCC[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001656222019 1173853454 /nfs/dbraw/zinc/85/34/54/1173853454.db2.gz AIBTXSQIPMMBPQ-QKPAOTATSA-N 1 3 311.470 0.974 20 0 DCADHO O=C(CN1CCCC1)NCCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001660753319 1174046239 /nfs/dbraw/zinc/04/62/39/1174046239.db2.gz QNLIAHAWDRVZOP-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(CN1CCCC1)NCCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001660753319 1174046247 /nfs/dbraw/zinc/04/62/47/1174046247.db2.gz QNLIAHAWDRVZOP-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001662084337 1174179052 /nfs/dbraw/zinc/17/90/52/1174179052.db2.gz FHRYCCBHVYIPOH-LFPSSSAGSA-N 1 3 309.454 0.942 20 0 DCADHO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC001662084337 1174179061 /nfs/dbraw/zinc/17/90/61/1174179061.db2.gz FHRYCCBHVYIPOH-LFPSSSAGSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001666993191 1174654845 /nfs/dbraw/zinc/65/48/45/1174654845.db2.gz ZOGKCSOYRCLYOX-DOMZBBRYSA-N 1 3 324.473 0.672 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001668435254 1174796376 /nfs/dbraw/zinc/79/63/76/1174796376.db2.gz BUZBQLXINBMDED-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNCC(=O)N(C)C1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435254 1174796378 /nfs/dbraw/zinc/79/63/78/1174796378.db2.gz BUZBQLXINBMDED-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNCC(=O)N1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001668640528 1174815815 /nfs/dbraw/zinc/81/58/15/1174815815.db2.gz CTZBDPNRCMKOTD-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNCC(=O)N1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001668640528 1174815817 /nfs/dbraw/zinc/81/58/17/1174815817.db2.gz CTZBDPNRCMKOTD-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCO[C@@H]1CC1(F)F ZINC001668745878 1174830614 /nfs/dbraw/zinc/83/06/14/1174830614.db2.gz NVXSNVUNGJCHFJ-XCUNLHGCSA-N 1 3 317.380 0.767 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C1(C[NH+](C)C)CC1)C(=O)N(C)C ZINC001669001209 1174875556 /nfs/dbraw/zinc/87/55/56/1174875556.db2.gz MPHVKKWZCJBSSF-FMFIFOJESA-N 1 3 310.442 0.067 20 0 DCADHO CN1CCC[C@H](NC/C=C\CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001669001307 1174875914 /nfs/dbraw/zinc/87/59/14/1174875914.db2.gz OSWRCPDNIJKPEI-WSNITJDQSA-N 1 3 322.453 0.211 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001669201016 1174909159 /nfs/dbraw/zinc/90/91/59/1174909159.db2.gz KYHNMAWUPMHZJK-BGTMTDRBSA-N 1 3 322.453 0.403 20 0 DCADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001672443148 1175108158 /nfs/dbraw/zinc/10/81/58/1175108158.db2.gz UIGTVVVOPISQRJ-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NCCCO ZINC001674424936 1175274089 /nfs/dbraw/zinc/27/40/89/1175274089.db2.gz IEWGDHYTNQGYAT-NVXWUHKLSA-N 1 3 305.422 0.692 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001689339690 1176834762 /nfs/dbraw/zinc/83/47/62/1176834762.db2.gz UZPPYKFDBRVROF-JLVOYYQZSA-N 1 3 310.442 0.067 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001689339690 1176834770 /nfs/dbraw/zinc/83/47/70/1176834770.db2.gz UZPPYKFDBRVROF-JLVOYYQZSA-N 1 3 310.442 0.067 20 0 DCADHO CN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001689663738 1176998562 /nfs/dbraw/zinc/99/85/62/1176998562.db2.gz SUKDUNCOQZRAKH-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+](C)CCC(=O)NCCCN(C1CC1)[C@@H]1CCCNC1=O ZINC001690004405 1177139495 /nfs/dbraw/zinc/13/94/95/1177139495.db2.gz RPFXRZCSHDPUDT-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCc1ccnn1C)N(C)C ZINC001698830097 1177686816 /nfs/dbraw/zinc/68/68/16/1177686816.db2.gz ZEFAUXJJWFVILB-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO COCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001699020737 1177775655 /nfs/dbraw/zinc/77/56/55/1177775655.db2.gz NVTCZJJRWSUNMM-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO COCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001699020737 1177775663 /nfs/dbraw/zinc/77/56/63/1177775663.db2.gz NVTCZJJRWSUNMM-HIFRSBDPSA-N 1 3 306.410 0.912 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001699345916 1178089474 /nfs/dbraw/zinc/08/94/74/1178089474.db2.gz RJCVSWVWJNIRJD-ZYOQUQOHSA-N 1 3 322.453 0.401 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001699345916 1178089484 /nfs/dbraw/zinc/08/94/84/1178089484.db2.gz RJCVSWVWJNIRJD-ZYOQUQOHSA-N 1 3 322.453 0.401 20 0 DCADHO COCC[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCOCC1 ZINC001699880572 1178327962 /nfs/dbraw/zinc/32/79/62/1178327962.db2.gz MELCTBRFCRCHLN-AWEZNQCLSA-N 1 3 315.458 0.474 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CCO1 ZINC001700150485 1178498658 /nfs/dbraw/zinc/49/86/58/1178498658.db2.gz WUAORCDFWRJDAT-CABCVRRESA-N 1 3 313.442 0.323 20 0 DCADHO CC(C)OCC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001700304787 1178574257 /nfs/dbraw/zinc/57/42/57/1178574257.db2.gz PHQNPZIGTMIOHQ-UHFFFAOYSA-N 1 3 324.425 0.320 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001720132715 1179076741 /nfs/dbraw/zinc/07/67/41/1179076741.db2.gz WSRAYEJJWBFQJY-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001720132715 1179076749 /nfs/dbraw/zinc/07/67/49/1179076749.db2.gz WSRAYEJJWBFQJY-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@@H]2C[C@]23CCOC3)CCC1 ZINC001713600599 1180956727 /nfs/dbraw/zinc/95/67/27/1180956727.db2.gz SIKYZXBZAQNBSQ-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCCCN1C ZINC001713623697 1180975687 /nfs/dbraw/zinc/97/56/87/1180975687.db2.gz NUKNCIIKIBBKHD-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC1CCN(CC(=O)N(C)CC[NH2+]CCNC(=O)C2CC2)CC1 ZINC001713647225 1180991606 /nfs/dbraw/zinc/99/16/06/1180991606.db2.gz LZVWERYSYLKLQX-UHFFFAOYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCF ZINC001715607141 1181894134 /nfs/dbraw/zinc/89/41/34/1181894134.db2.gz XWKDYZOMTPABGI-KGLIPLIRSA-N 1 3 303.422 0.676 20 0 DCADHO CC(C)(C(=O)NC/C=C\CN[C@H]1CCNC1=O)[NH+]1CCCCC1 ZINC001715821569 1182027872 /nfs/dbraw/zinc/02/78/72/1182027872.db2.gz STZDNJDRGGLFMU-WSNITJDQSA-N 1 3 322.453 0.401 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001716339345 1182345036 /nfs/dbraw/zinc/34/50/36/1182345036.db2.gz DBFLZNUAAVVRNO-MEJMFZKBSA-N 1 3 312.458 0.503 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2ccnn2C)CCC1 ZINC001716546442 1182436187 /nfs/dbraw/zinc/43/61/87/1182436187.db2.gz SEWFYIKATVQHAN-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCOC)C1)N(C)C ZINC001717254192 1182751749 /nfs/dbraw/zinc/75/17/49/1182751749.db2.gz LWFNEWBWBCIECY-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717749456 1182978467 /nfs/dbraw/zinc/97/84/67/1182978467.db2.gz CNDXMHVRCFKSTL-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CCCC[NH+](C)C ZINC001725602173 1184908205 /nfs/dbraw/zinc/90/82/05/1184908205.db2.gz YAIYCBOPTHDWER-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]CCn1cncn1)C(C)(C)C)N(C)C ZINC001725744494 1184980231 /nfs/dbraw/zinc/98/02/31/1184980231.db2.gz HCIXENDXFVLLNZ-ZIAGYGMSSA-N 1 3 324.473 0.739 20 0 DCADHO Cc1noc(CCC[NH2+][C@H](C)CNC(=O)CN2CC[C@H](C)C2)n1 ZINC001731617828 1185415052 /nfs/dbraw/zinc/41/50/52/1185415052.db2.gz MYSJLUJJIFZUFG-QWHCGFSZSA-N 1 3 323.441 0.747 20 0 DCADHO CCN(CCNCC(=O)N(C)CC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732810393 1185978882 /nfs/dbraw/zinc/97/88/82/1185978882.db2.gz BLOYGDXPAIUXGZ-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNCC(=O)N(C)CC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001732810393 1185978888 /nfs/dbraw/zinc/97/88/88/1185978888.db2.gz BLOYGDXPAIUXGZ-HNNXBMFYSA-N 1 3 324.469 0.245 20 0 DCADHO Cc1cc(C[NH2+]CCCN(C)C(=O)CN2CCCC2)ncn1 ZINC001733143863 1186161922 /nfs/dbraw/zinc/16/19/22/1186161922.db2.gz PTFMLFKLTWNMKU-UHFFFAOYSA-N 1 3 305.426 0.819 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001733751364 1186431697 /nfs/dbraw/zinc/43/16/97/1186431697.db2.gz INNCMSIEVUJPAZ-AWEZNQCLSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@H](CCC[NH2+]Cc1cnnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001734252379 1186593592 /nfs/dbraw/zinc/59/35/92/1186593592.db2.gz HUHIEVLALMOUDJ-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001734427312 1186650278 /nfs/dbraw/zinc/65/02/78/1186650278.db2.gz YOQRSERXNVUHOG-SMDDNHRTSA-N 1 3 319.409 0.057 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001752010250 1188376987 /nfs/dbraw/zinc/37/69/87/1188376987.db2.gz YJMGBBPQIDEXAF-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001752767108 1188437463 /nfs/dbraw/zinc/43/74/63/1188437463.db2.gz WJSREZBBLIVXPN-AEGPPILISA-N 1 3 322.453 0.091 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001753252282 1188549595 /nfs/dbraw/zinc/54/95/95/1188549595.db2.gz RGOIXLCIANOVBY-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO COc1nccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCN2C)n1 ZINC001753953461 1188695008 /nfs/dbraw/zinc/69/50/08/1188695008.db2.gz NLIYXGFXPYERIX-JSGCOSHPSA-N 1 3 321.425 0.564 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754266621 1188803113 /nfs/dbraw/zinc/80/31/13/1188803113.db2.gz ASJYABIXQYUZMQ-DZGCQCFKSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH+](C)CCCCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001754531615 1188875186 /nfs/dbraw/zinc/87/51/86/1188875186.db2.gz HZGAMMFBUHPPFX-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000317403269 1190420961 /nfs/dbraw/zinc/42/09/61/1190420961.db2.gz OASRWOMVGIEHOT-HNNXBMFYSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC001772065275 1190422171 /nfs/dbraw/zinc/42/21/71/1190422171.db2.gz ADGNRSHPOMTKBT-ILXRZTDVSA-N 1 3 312.458 0.594 20 0 DCADHO [NH3+]C[C@H]1CC2(CO1)CCN(C[C@@H]1CCS(=O)(=O)C1)CC2 ZINC001771930580 1190562557 /nfs/dbraw/zinc/56/25/57/1190562557.db2.gz KYNRYGOVVIEIHB-QWHCGFSZSA-N 1 3 302.440 0.251 20 0 DCADHO COC[C@@]1(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCCCN1 ZINC001772270455 1190649664 /nfs/dbraw/zinc/64/96/64/1190649664.db2.gz MDLVMFXTABQULJ-CKYFFXLPSA-N 1 3 309.332 0.493 20 0 DCADHO CN1CCCC[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC001772433736 1190681358 /nfs/dbraw/zinc/68/13/58/1190681358.db2.gz YXQJTCMYILSYGP-HNNXBMFYSA-N 1 3 324.469 0.977 20 0 DCADHO CCN1CCN(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001772472645 1190694299 /nfs/dbraw/zinc/69/42/99/1190694299.db2.gz YJSVYOYHYWWPOV-GJZGRUSLSA-N 1 3 308.470 0.565 20 0 DCADHO CCN1CCN(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001772472645 1190694301 /nfs/dbraw/zinc/69/43/01/1190694301.db2.gz YJSVYOYHYWWPOV-GJZGRUSLSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC001575141663 1163915759 /nfs/dbraw/zinc/91/57/59/1163915759.db2.gz XTZXAMIVNBQVJT-DOMZBBRYSA-N 1 3 301.406 0.775 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1CNC2 ZINC001164928537 721856955 /nfs/dbraw/zinc/85/69/55/721856955.db2.gz OEJRHWSZORUJRG-CABCVRRESA-N 1 3 302.426 0.294 20 0 DCADHO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1CNC2 ZINC001164928537 721856956 /nfs/dbraw/zinc/85/69/56/721856956.db2.gz OEJRHWSZORUJRG-CABCVRRESA-N 1 3 302.426 0.294 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474752 751412641 /nfs/dbraw/zinc/41/26/41/751412641.db2.gz ONSCGIMLUGPZFB-HNNXBMFYSA-N 1 3 305.426 0.276 20 0 DCADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCCCC1 ZINC001127474821 751412675 /nfs/dbraw/zinc/41/26/75/751412675.db2.gz PESRHEREUMBBLR-OAHLLOKOSA-N 1 3 322.453 0.047 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001106905715 751512400 /nfs/dbraw/zinc/51/24/00/751512400.db2.gz FDUBCBXYBAXWBA-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001106910814 751554582 /nfs/dbraw/zinc/55/45/82/751554582.db2.gz PPFXZYWDRLXMEY-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCCC2)CC[N@@H+]1C ZINC001127685266 751627648 /nfs/dbraw/zinc/62/76/48/751627648.db2.gz KZWGEWKPUSKWSF-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N2CCCCC2)CC[N@H+]1C ZINC001127685266 751627652 /nfs/dbraw/zinc/62/76/52/751627652.db2.gz KZWGEWKPUSKWSF-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001127780431 752069554 /nfs/dbraw/zinc/06/95/54/752069554.db2.gz YWGYJFNOJWFPCF-CVEARBPZSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127780431 752069563 /nfs/dbraw/zinc/06/95/63/752069563.db2.gz YWGYJFNOJWFPCF-CVEARBPZSA-N 1 3 318.421 0.459 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001167224486 747025628 /nfs/dbraw/zinc/02/56/28/747025628.db2.gz KXVMFUTZPJLWDL-KBPBESRZSA-N 1 3 322.453 0.235 20 0 DCADHO CCOC(=O)[C@@H]1CNCCN1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001211354856 747200047 /nfs/dbraw/zinc/20/00/47/747200047.db2.gz RWTQTSALIFURDT-INIZCTEOSA-N 1 3 303.406 0.669 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167636265 747439869 /nfs/dbraw/zinc/43/98/69/747439869.db2.gz QQKSPXHVOVFJIU-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001104691842 747832346 /nfs/dbraw/zinc/83/23/46/747832346.db2.gz XYCHGLFWEBINJE-MCIONIFRSA-N 1 3 312.458 0.147 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769379 747899915 /nfs/dbraw/zinc/89/99/15/747899915.db2.gz HOTZPISRRVHSDG-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(N)=O)C2)C1 ZINC001112529847 748318462 /nfs/dbraw/zinc/31/84/62/748318462.db2.gz RMBJMWJLCAKZHR-KEYYUXOJSA-N 1 3 322.453 0.032 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1CCO ZINC001087621296 748998845 /nfs/dbraw/zinc/99/88/45/748998845.db2.gz PEGSENBJDCXTAM-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO O=S1(=O)CCN(CC[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC001168366073 750109427 /nfs/dbraw/zinc/10/94/27/750109427.db2.gz JNXMVBQIDUSOEX-UHFFFAOYSA-N 1 3 315.483 0.181 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127941 750213917 /nfs/dbraw/zinc/21/39/17/750213917.db2.gz PVLFUKGDFFRSHN-ARFHVFGLSA-N 1 3 311.470 0.782 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127941 750213921 /nfs/dbraw/zinc/21/39/21/750213921.db2.gz PVLFUKGDFFRSHN-ARFHVFGLSA-N 1 3 311.470 0.782 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127253976 750925720 /nfs/dbraw/zinc/92/57/20/750925720.db2.gz BOTBHVDDLYCGSC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127253976 750925721 /nfs/dbraw/zinc/92/57/21/750925721.db2.gz BOTBHVDDLYCGSC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cn1 ZINC001127254563 750928420 /nfs/dbraw/zinc/92/84/20/750928420.db2.gz GAHDADDYVBGPQF-LSDHHAIUSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cn1 ZINC001127254563 750928423 /nfs/dbraw/zinc/92/84/23/750928423.db2.gz GAHDADDYVBGPQF-LSDHHAIUSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255660 750937194 /nfs/dbraw/zinc/93/71/94/750937194.db2.gz KNYNACCFQYRCIG-KBPBESRZSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255660 750937196 /nfs/dbraw/zinc/93/71/96/750937196.db2.gz KNYNACCFQYRCIG-KBPBESRZSA-N 1 3 305.426 0.500 20 0 DCADHO C[NH2+]C1CC(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001121917361 750942558 /nfs/dbraw/zinc/94/25/58/750942558.db2.gz STBANGPRPQMCHE-RUXDESIVSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106254972 751067109 /nfs/dbraw/zinc/06/71/09/751067109.db2.gz DCGUTRNMFTUWEX-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001106704734 751238539 /nfs/dbraw/zinc/23/85/39/751238539.db2.gz ANZUIPNPWFNRDV-ZIAGYGMSSA-N 1 3 316.409 0.533 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203523832 751305184 /nfs/dbraw/zinc/30/51/84/751305184.db2.gz SLORTTDGXWYOTL-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748573 752857683 /nfs/dbraw/zinc/85/76/83/752857683.db2.gz FVWOLEUQQRDVPW-STQMWFEESA-N 1 3 316.409 0.855 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044756970 752861125 /nfs/dbraw/zinc/86/11/25/752861125.db2.gz SAMZHZAAMSVBPH-UONOGXRCSA-N 1 3 316.409 0.818 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC001044857037 752903499 /nfs/dbraw/zinc/90/34/99/752903499.db2.gz DPXCSXMUPAPTMH-HUUCEWRRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001078200436 753119271 /nfs/dbraw/zinc/11/92/71/753119271.db2.gz YEVHALLSFCVYLR-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046011133 753415183 /nfs/dbraw/zinc/41/51/83/753415183.db2.gz ZUMFEYILVORNRO-JKSUJKDBSA-N 1 3 308.470 0.708 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046011133 753415186 /nfs/dbraw/zinc/41/51/86/753415186.db2.gz ZUMFEYILVORNRO-JKSUJKDBSA-N 1 3 308.470 0.708 20 0 DCADHO C[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001117275772 753657323 /nfs/dbraw/zinc/65/73/23/753657323.db2.gz HKHFGSRUJYHLPC-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@]2(C)CCN(CCO)C2)cc1 ZINC001046707102 753890221 /nfs/dbraw/zinc/89/02/21/753890221.db2.gz OWHHEHRVYIWUKS-KRWDZBQOSA-N 1 3 305.422 0.935 20 0 DCADHO Cn1cc(CCN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001046831376 753965664 /nfs/dbraw/zinc/96/56/64/753965664.db2.gz KFINCOBJZXJYDX-NVXWUHKLSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001046831376 753965667 /nfs/dbraw/zinc/96/56/67/753965667.db2.gz KFINCOBJZXJYDX-NVXWUHKLSA-N 1 3 319.453 0.495 20 0 DCADHO CCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219683 754570162 /nfs/dbraw/zinc/57/01/62/754570162.db2.gz JLOGPKDAWQIUKB-CABCVRRESA-N 1 3 322.457 0.762 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]3C2)CCC1 ZINC001048860124 754983547 /nfs/dbraw/zinc/98/35/47/754983547.db2.gz HVZORWNOIDXFGW-OAGGEKHMSA-N 1 3 321.465 0.897 20 0 DCADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]3C2)CCC1 ZINC001048860124 754983549 /nfs/dbraw/zinc/98/35/49/754983549.db2.gz HVZORWNOIDXFGW-OAGGEKHMSA-N 1 3 321.465 0.897 20 0 DCADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944349 755032479 /nfs/dbraw/zinc/03/24/79/755032479.db2.gz UQNWSQBXWORDHN-SYGRHNPNSA-N 1 3 319.449 0.650 20 0 DCADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944349 755032481 /nfs/dbraw/zinc/03/24/81/755032481.db2.gz UQNWSQBXWORDHN-SYGRHNPNSA-N 1 3 319.449 0.650 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049057311 755095558 /nfs/dbraw/zinc/09/55/58/755095558.db2.gz DKAHWJSPPINSJJ-YHUYYLMFSA-N 1 3 309.454 0.753 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049057311 755095564 /nfs/dbraw/zinc/09/55/64/755095564.db2.gz DKAHWJSPPINSJJ-YHUYYLMFSA-N 1 3 309.454 0.753 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049060502 755096942 /nfs/dbraw/zinc/09/69/42/755096942.db2.gz UGRWAWJNHBJQNL-SOUVJXGZSA-N 1 3 309.454 0.489 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049060502 755096949 /nfs/dbraw/zinc/09/69/49/755096949.db2.gz UGRWAWJNHBJQNL-SOUVJXGZSA-N 1 3 309.454 0.489 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2C1 ZINC001049083640 755107656 /nfs/dbraw/zinc/10/76/56/755107656.db2.gz LOLJGRQPPIVPGQ-OKILXGFUSA-N 1 3 318.421 0.912 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2C1 ZINC001049083640 755107657 /nfs/dbraw/zinc/10/76/57/755107657.db2.gz LOLJGRQPPIVPGQ-OKILXGFUSA-N 1 3 318.421 0.912 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)CC1 ZINC001049131335 755137044 /nfs/dbraw/zinc/13/70/44/755137044.db2.gz JHTVXEBTCOMRGF-IYBDPMFKSA-N 1 3 309.454 0.491 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)CC1 ZINC001049131335 755137046 /nfs/dbraw/zinc/13/70/46/755137046.db2.gz JHTVXEBTCOMRGF-IYBDPMFKSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001050547285 755566563 /nfs/dbraw/zinc/56/65/63/755566563.db2.gz ZMJUWVUAKYCCBV-AWEZNQCLSA-N 1 3 309.454 0.776 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001168764344 755673197 /nfs/dbraw/zinc/67/31/97/755673197.db2.gz ZMSARBOKUPFWGA-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052869270 755847376 /nfs/dbraw/zinc/84/73/76/755847376.db2.gz CFWFQQOSWVLRRM-UONOGXRCSA-N 1 3 322.453 0.317 20 0 DCADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)CN2CCCC2)C1 ZINC001080535134 756240803 /nfs/dbraw/zinc/24/08/03/756240803.db2.gz XHNMMANZCIDWLO-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)CN2CCCC2)C1 ZINC001080535134 756240805 /nfs/dbraw/zinc/24/08/05/756240805.db2.gz XHNMMANZCIDWLO-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783615 756338773 /nfs/dbraw/zinc/33/87/73/756338773.db2.gz XYVILCOITQUHBU-OWCLPIDISA-N 1 3 319.453 0.661 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783615 756338777 /nfs/dbraw/zinc/33/87/77/756338777.db2.gz XYVILCOITQUHBU-OWCLPIDISA-N 1 3 319.453 0.661 20 0 DCADHO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1)C1CCC1 ZINC001054145703 756383816 /nfs/dbraw/zinc/38/38/16/756383816.db2.gz WHMJGNMHPHEKTP-KRWDZBQOSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1)C1CCC1 ZINC001054145703 756383820 /nfs/dbraw/zinc/38/38/20/756383820.db2.gz WHMJGNMHPHEKTP-KRWDZBQOSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCn1cncn1 ZINC001054734713 756621201 /nfs/dbraw/zinc/62/12/01/756621201.db2.gz CSJUMIRYMVINLL-HIFRSBDPSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC001054735046 756621271 /nfs/dbraw/zinc/62/12/71/756621271.db2.gz HHXQVBRAYATCHC-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC001054739111 756622899 /nfs/dbraw/zinc/62/28/99/756622899.db2.gz RYALAFKQORXLIJ-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1cncn1C ZINC001054739113 756623014 /nfs/dbraw/zinc/62/30/14/756623014.db2.gz RYALAFKQORXLIJ-XJKSGUPXSA-N 1 3 319.453 0.841 20 0 DCADHO CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081675917 756752847 /nfs/dbraw/zinc/75/28/47/756752847.db2.gz MAZUYKBXJLKDMP-BZUAXINKSA-N 1 3 307.438 0.554 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001082559582 757186845 /nfs/dbraw/zinc/18/68/45/757186845.db2.gz JTMSNGGIBXWHES-DAXOMENPSA-N 1 3 319.453 0.697 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001082575273 757194526 /nfs/dbraw/zinc/19/45/26/757194526.db2.gz VLAGOCSDXALUFC-OAGGEKHMSA-N 1 3 321.469 0.906 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001082747690 757235597 /nfs/dbraw/zinc/23/55/97/757235597.db2.gz FWYJRVOSBANTSZ-BMFZPTHFSA-N 1 3 321.469 0.739 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082919746 757323398 /nfs/dbraw/zinc/32/33/98/757323398.db2.gz DNFKCUPBCSTSFB-XNRPHZJLSA-N 1 3 319.453 0.617 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082919746 757323405 /nfs/dbraw/zinc/32/34/05/757323405.db2.gz DNFKCUPBCSTSFB-XNRPHZJLSA-N 1 3 319.453 0.617 20 0 DCADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)cn1 ZINC001082921048 757330560 /nfs/dbraw/zinc/33/05/60/757330560.db2.gz SCAQMURWMZQDGZ-DAXOMENPSA-N 1 3 317.437 0.673 20 0 DCADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cn1 ZINC001082921048 757330570 /nfs/dbraw/zinc/33/05/70/757330570.db2.gz SCAQMURWMZQDGZ-DAXOMENPSA-N 1 3 317.437 0.673 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001084090645 757667578 /nfs/dbraw/zinc/66/75/78/757667578.db2.gz AJUVKJTYYPDHMS-SJORKVTESA-N 1 3 317.433 0.933 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001050546319 757824331 /nfs/dbraw/zinc/82/43/31/757824331.db2.gz NJIHUEVMBORWFX-ZFWWWQNUSA-N 1 3 309.454 0.632 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCNCc1cncc(OC)n1 ZINC001170222994 762579260 /nfs/dbraw/zinc/57/92/60/762579260.db2.gz QFMITPLPVQCGBN-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCNCc1cncc(OC)n1 ZINC001170222994 762579270 /nfs/dbraw/zinc/57/92/70/762579270.db2.gz QFMITPLPVQCGBN-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050661811 757940485 /nfs/dbraw/zinc/94/04/85/757940485.db2.gz CTAMRPKYUZZJRU-CABCVRRESA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050661816 757940565 /nfs/dbraw/zinc/94/05/65/757940565.db2.gz CTAMRPKYUZZJRU-LSDHHAIUSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050774574 758047128 /nfs/dbraw/zinc/04/71/28/758047128.db2.gz ZYUIHTQIQIRCRI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O)N(C)C ZINC001051356864 758589947 /nfs/dbraw/zinc/58/99/47/758589947.db2.gz VIHHZRFLCFHHJA-RDBSUJKOSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCO[C@@H](C[NH2+]CC3CCC3)C2)C1 ZINC001051825818 758972467 /nfs/dbraw/zinc/97/24/67/758972467.db2.gz WLYODMGJDXRMIR-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001051847817 758986464 /nfs/dbraw/zinc/98/64/64/758986464.db2.gz BNBNRKYWWXEOFR-UKRRQHHQSA-N 1 3 322.409 0.196 20 0 DCADHO CC(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001051995337 759097770 /nfs/dbraw/zinc/09/77/70/759097770.db2.gz BUJZFHGUNPPWSJ-IRXDYDNUSA-N 1 3 322.497 0.955 20 0 DCADHO NC(=O)CN1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531814 759477922 /nfs/dbraw/zinc/47/79/22/759477922.db2.gz PORHKNYFCAFLJY-CYBMUJFWSA-N 1 3 315.377 0.404 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC001147899974 767878070 /nfs/dbraw/zinc/87/80/70/767878070.db2.gz FJCHZBYPKWFMCX-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N1CCCCC1 ZINC001147899974 767878079 /nfs/dbraw/zinc/87/80/79/767878079.db2.gz FJCHZBYPKWFMCX-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086272239 759934111 /nfs/dbraw/zinc/93/41/11/759934111.db2.gz YYWSRRPPISMDMP-NFAWXSAZSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086272239 759934116 /nfs/dbraw/zinc/93/41/16/759934116.db2.gz YYWSRRPPISMDMP-NFAWXSAZSA-N 1 3 306.410 0.919 20 0 DCADHO CN1CCN(C)C2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001169133803 760590900 /nfs/dbraw/zinc/59/09/00/760590900.db2.gz LAGMMFFMDIGWNF-ZSHCYNCHSA-N 1 3 320.481 0.850 20 0 DCADHO CN1CCN(C)C2(CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001169133803 760590904 /nfs/dbraw/zinc/59/09/04/760590904.db2.gz LAGMMFFMDIGWNF-ZSHCYNCHSA-N 1 3 320.481 0.850 20 0 DCADHO CC(=O)N1CCC[C@@H](N2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC001169627810 760757641 /nfs/dbraw/zinc/75/76/41/760757641.db2.gz YCZZTHMUGGWFBS-OAHLLOKOSA-N 1 3 310.442 0.093 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(CC)CC)C2 ZINC001108783890 761050014 /nfs/dbraw/zinc/05/00/14/761050014.db2.gz GDJWZVFVBIYWHG-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275525 761160782 /nfs/dbraw/zinc/16/07/82/761160782.db2.gz QLLVNQFHVVKBAV-ZNMIVQPWSA-N 1 3 320.441 0.371 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CCC ZINC001148578544 768020554 /nfs/dbraw/zinc/02/05/54/768020554.db2.gz WOTQGIBNHSXSON-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CCC ZINC001148578544 768020557 /nfs/dbraw/zinc/02/05/57/768020557.db2.gz WOTQGIBNHSXSON-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC001148642907 768022732 /nfs/dbraw/zinc/02/27/32/768022732.db2.gz QBNHFDUXCPEVDP-MRXNPFEDSA-N 1 3 323.437 0.776 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534990 761297977 /nfs/dbraw/zinc/29/79/77/761297977.db2.gz YJZMXGCNTRRJPQ-IJEWVQPXSA-N 1 3 319.453 0.666 20 0 DCADHO CN1CCC(CO)(NC(=O)c2ccc(NC(N)=[NH2+])cc2)CC1 ZINC001148656208 768025084 /nfs/dbraw/zinc/02/50/84/768025084.db2.gz PBFUDNDEWCWABA-UHFFFAOYSA-N 1 3 305.382 0.178 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC(C)(C)CN2CCO)C1 ZINC001099310739 762860667 /nfs/dbraw/zinc/86/06/67/762860667.db2.gz ULBBWAFMVZNMRA-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC(C)(C)CN2CCO)C1 ZINC001099310739 762860677 /nfs/dbraw/zinc/86/06/77/762860677.db2.gz ULBBWAFMVZNMRA-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114263447 762908844 /nfs/dbraw/zinc/90/88/44/762908844.db2.gz VQKDXEYMMTZJDE-QXSJWSMHSA-N 1 3 309.454 0.942 20 0 DCADHO CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114263447 762908848 /nfs/dbraw/zinc/90/88/48/762908848.db2.gz VQKDXEYMMTZJDE-QXSJWSMHSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001129423693 762935831 /nfs/dbraw/zinc/93/58/31/762935831.db2.gz WGEDOGJTSYZBJG-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001129423693 762935835 /nfs/dbraw/zinc/93/58/35/762935835.db2.gz WGEDOGJTSYZBJG-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129448824 762937902 /nfs/dbraw/zinc/93/79/02/762937902.db2.gz INDHKDNEPYPZQX-HUUCEWRRSA-N 1 3 315.458 0.066 20 0 DCADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NCC(C)(C)C)C1CC1 ZINC001129442523 762944784 /nfs/dbraw/zinc/94/47/84/762944784.db2.gz BXICIFODNANVHH-CQSZACIVSA-N 1 3 312.458 0.195 20 0 DCADHO COCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001099879036 763094521 /nfs/dbraw/zinc/09/45/21/763094521.db2.gz DJEOBKRAFXKEID-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001099879036 763094524 /nfs/dbraw/zinc/09/45/24/763094524.db2.gz DJEOBKRAFXKEID-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1 ZINC001130107572 763126842 /nfs/dbraw/zinc/12/68/42/763126842.db2.gz RGLXKLOKWPHXLM-KGLIPLIRSA-N 1 3 308.430 0.370 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171358366 768110242 /nfs/dbraw/zinc/11/02/42/768110242.db2.gz FAPXTXJQQZKGFU-ZFWWWQNUSA-N 1 3 314.474 0.583 20 0 DCADHO Cn1cncc1CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170306 763160522 /nfs/dbraw/zinc/16/05/22/763160522.db2.gz VMLQZSQHOSXTKI-UHFFFAOYSA-N 1 3 305.426 0.502 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186162 763164341 /nfs/dbraw/zinc/16/43/41/763164341.db2.gz BSOUAXKXAMNZAR-ZFWWWQNUSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186162 763164348 /nfs/dbraw/zinc/16/43/48/763164348.db2.gz BSOUAXKXAMNZAR-ZFWWWQNUSA-N 1 3 305.426 0.643 20 0 DCADHO CC(C)=CCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073559 763282610 /nfs/dbraw/zinc/28/26/10/763282610.db2.gz DVXIYHNMRAWRIM-GJZGRUSLSA-N 1 3 313.442 0.082 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421804 763294464 /nfs/dbraw/zinc/29/44/64/763294464.db2.gz JWIPSOAGPVJAJC-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421804 763294471 /nfs/dbraw/zinc/29/44/71/763294471.db2.gz JWIPSOAGPVJAJC-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCS(=O)(=O)CC ZINC001130427066 763299038 /nfs/dbraw/zinc/29/90/38/763299038.db2.gz IERROODCWQTJFO-UHFFFAOYSA-N 1 3 321.487 0.247 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1cncn1C ZINC001130710741 763449430 /nfs/dbraw/zinc/44/94/30/763449430.db2.gz CLGOLDAXTPESLY-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCc1cncn1C ZINC001130710741 763449436 /nfs/dbraw/zinc/44/94/36/763449436.db2.gz CLGOLDAXTPESLY-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130709191 763449804 /nfs/dbraw/zinc/44/98/04/763449804.db2.gz WOWWEQHIAFPINO-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130709191 763449807 /nfs/dbraw/zinc/44/98/07/763449807.db2.gz WOWWEQHIAFPINO-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001100405639 763555129 /nfs/dbraw/zinc/55/51/29/763555129.db2.gz GJGXBSHGWJFGEF-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC001100407693 763557660 /nfs/dbraw/zinc/55/76/60/763557660.db2.gz FWNRQMDGMFIIAV-LDZOIKDWSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001100457238 763588979 /nfs/dbraw/zinc/58/89/79/763588979.db2.gz VSFLJJJWDDPYOI-JXQTWKCFSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccnn2C)C1 ZINC001100675935 763715836 /nfs/dbraw/zinc/71/58/36/763715836.db2.gz DESMZEQKOAMFRL-NFOMZHRRSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001100678253 763719152 /nfs/dbraw/zinc/71/91/52/763719152.db2.gz DZZJDNJGDMUQTK-OPFPJEHXSA-N 1 3 322.453 0.091 20 0 DCADHO CC1CC(C[NH2+]CCNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001131521905 763841313 /nfs/dbraw/zinc/84/13/13/763841313.db2.gz LIIKSXQKXBPITJ-RDVIWEACSA-N 1 3 307.438 0.602 20 0 DCADHO COCCN1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681771 763934958 /nfs/dbraw/zinc/93/49/58/763934958.db2.gz HXRSDPZWSNISSV-HOCLYGCPSA-N 1 3 313.442 0.276 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013746 768183368 /nfs/dbraw/zinc/18/33/68/768183368.db2.gz YXAFXFNNAXIOAY-INMHGKMJSA-N 1 3 309.454 0.755 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013746 768183370 /nfs/dbraw/zinc/18/33/70/768183370.db2.gz YXAFXFNNAXIOAY-INMHGKMJSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351528 764067382 /nfs/dbraw/zinc/06/73/82/764067382.db2.gz JAVGJFYLYYZMGJ-CPUCHLNUSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CN1CCOCCO ZINC001132269300 764346837 /nfs/dbraw/zinc/34/68/37/764346837.db2.gz IKTJHVNSVABNRM-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320669 764595967 /nfs/dbraw/zinc/59/59/67/764595967.db2.gz NNPWSZRVOXKAGN-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001132736833 764612974 /nfs/dbraw/zinc/61/29/74/764612974.db2.gz DHWSZNSUZBZHEA-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001132736833 764612978 /nfs/dbraw/zinc/61/29/78/764612978.db2.gz DHWSZNSUZBZHEA-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCN(CC)C2=O)C1 ZINC001132738369 764617311 /nfs/dbraw/zinc/61/73/11/764617311.db2.gz AECXVTUAJQMIFC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCN(CC)C2=O)C1 ZINC001132738369 764617312 /nfs/dbraw/zinc/61/73/12/764617312.db2.gz AECXVTUAJQMIFC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1C)N(C)C ZINC001102377650 764620400 /nfs/dbraw/zinc/62/04/00/764620400.db2.gz APTQMONNTXSYPD-KBXIAJHMSA-N 1 3 315.458 0.018 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C)N(C)C ZINC001102377650 764620403 /nfs/dbraw/zinc/62/04/03/764620403.db2.gz APTQMONNTXSYPD-KBXIAJHMSA-N 1 3 315.458 0.018 20 0 DCADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C)N1CCCCCC1 ZINC001102430256 764642823 /nfs/dbraw/zinc/64/28/23/764642823.db2.gz KQGLDUVFEQZXGQ-OWCLPIDISA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C)N1CCCCCC1 ZINC001102430256 764642827 /nfs/dbraw/zinc/64/28/27/764642827.db2.gz KQGLDUVFEQZXGQ-OWCLPIDISA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C ZINC001102525142 764679526 /nfs/dbraw/zinc/67/95/26/764679526.db2.gz MZOCEQTVWJRZLW-HZPDHXFCSA-N 1 3 321.469 0.909 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C ZINC001102525142 764679535 /nfs/dbraw/zinc/67/95/35/764679535.db2.gz MZOCEQTVWJRZLW-HZPDHXFCSA-N 1 3 321.469 0.909 20 0 DCADHO Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CN(C(C)C)CCO2)cn1 ZINC001132848901 764690815 /nfs/dbraw/zinc/69/08/15/764690815.db2.gz VVXOIMFAZKPAEJ-HNNXBMFYSA-N 1 3 321.425 0.100 20 0 DCADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001132892257 764712071 /nfs/dbraw/zinc/71/20/71/764712071.db2.gz CWNVLIAULSTEKL-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893349 764713350 /nfs/dbraw/zinc/71/33/50/764713350.db2.gz NRFVZEFMEBBYMF-MELADBBJSA-N 1 3 312.458 0.467 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001132893349 764713353 /nfs/dbraw/zinc/71/33/53/764713353.db2.gz NRFVZEFMEBBYMF-MELADBBJSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CCCC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133040570 764799956 /nfs/dbraw/zinc/79/99/56/764799956.db2.gz XEVKAUNEIWKAKH-UHFFFAOYSA-N 1 3 312.458 0.437 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051940 764804589 /nfs/dbraw/zinc/80/45/89/764804589.db2.gz VYTRXKUHWQXPFV-CYBMUJFWSA-N 1 3 300.447 0.289 20 0 DCADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NCC(C)(C)C)CC1 ZINC001133281858 764900428 /nfs/dbraw/zinc/90/04/28/764900428.db2.gz PZVYDHNIYKKQQI-UHFFFAOYSA-N 1 3 312.458 0.196 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285643 764905760 /nfs/dbraw/zinc/90/57/60/764905760.db2.gz BFADWBQUYNUBNK-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)C(=O)NC1CCCC1 ZINC001133285901 764906024 /nfs/dbraw/zinc/90/60/24/764906024.db2.gz NPXMZORNHRWUSR-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)C[C@@H](C)N(C)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291233 764909206 /nfs/dbraw/zinc/90/92/06/764909206.db2.gz MHKVOUGJLTZTMH-CQSZACIVSA-N 1 3 314.474 0.537 20 0 DCADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086574 764940403 /nfs/dbraw/zinc/94/04/03/764940403.db2.gz IGPAOMKXSXBGQX-XNRPHZJLSA-N 1 3 324.469 0.147 20 0 DCADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086574 764940406 /nfs/dbraw/zinc/94/04/06/764940406.db2.gz IGPAOMKXSXBGQX-XNRPHZJLSA-N 1 3 324.469 0.147 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)N[C@@H](C)CC)[NH+](CC)CC ZINC001133684319 765079552 /nfs/dbraw/zinc/07/95/52/765079552.db2.gz GYULWMPKKLDURT-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCc1ccco1 ZINC001133819672 765150867 /nfs/dbraw/zinc/15/08/67/765150867.db2.gz KVSQFOWWSZEOFU-CYBMUJFWSA-N 1 3 322.409 0.086 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCc1ccco1 ZINC001133819672 765150870 /nfs/dbraw/zinc/15/08/70/765150870.db2.gz KVSQFOWWSZEOFU-CYBMUJFWSA-N 1 3 322.409 0.086 20 0 DCADHO COCCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856631 765182849 /nfs/dbraw/zinc/18/28/49/765182849.db2.gz MCZRUQKTBDFJOW-OAHLLOKOSA-N 1 3 303.422 0.941 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001133823722 765155257 /nfs/dbraw/zinc/15/52/57/765155257.db2.gz MQIONBQVDAAGEP-HUUCEWRRSA-N 1 3 313.442 0.372 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001133833930 765163558 /nfs/dbraw/zinc/16/35/58/765163558.db2.gz JRXAFRSWMPLZMV-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001133833929 765163876 /nfs/dbraw/zinc/16/38/76/765163876.db2.gz JRXAFRSWMPLZMV-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001133853889 765172078 /nfs/dbraw/zinc/17/20/78/765172078.db2.gz SDLCFOWCPMNBNZ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NC2CCCCC2)C1 ZINC001133853889 765172083 /nfs/dbraw/zinc/17/20/83/765172083.db2.gz SDLCFOWCPMNBNZ-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCC[C@H](C)C2)C1 ZINC001133846111 765180228 /nfs/dbraw/zinc/18/02/28/765180228.db2.gz UFOUAFQTPMLCOR-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCC[C@H](C)C2)C1 ZINC001133846111 765180232 /nfs/dbraw/zinc/18/02/32/765180232.db2.gz UFOUAFQTPMLCOR-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CO[C@H](C)C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856836 765183046 /nfs/dbraw/zinc/18/30/46/765183046.db2.gz SHOLMGVJNMJYTI-IUODEOHRSA-N 1 3 303.422 0.940 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001133866775 765192556 /nfs/dbraw/zinc/19/25/56/765192556.db2.gz PGDOQKWDNSPGDS-DZGCQCFKSA-N 1 3 319.453 0.551 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001133866775 765192559 /nfs/dbraw/zinc/19/25/59/765192559.db2.gz PGDOQKWDNSPGDS-DZGCQCFKSA-N 1 3 319.453 0.551 20 0 DCADHO CC[C@H](NCCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(N)=O ZINC001133893359 765211801 /nfs/dbraw/zinc/21/18/01/765211801.db2.gz FHEYMTAPQOFTCM-HNNXBMFYSA-N 1 3 320.437 0.374 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001115119358 765597049 /nfs/dbraw/zinc/59/70/49/765597049.db2.gz VNACLXBWQSULOV-LISAXSMJSA-N 1 3 321.465 0.801 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001115119358 765597054 /nfs/dbraw/zinc/59/70/54/765597054.db2.gz VNACLXBWQSULOV-LISAXSMJSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H](C(=O)NCCN[C@H]1CCCNC1=O)[NH+]1CCCCCC1 ZINC001134757391 765669519 /nfs/dbraw/zinc/66/95/19/765669519.db2.gz OQLMABKDPWIZHL-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C(=O)CNCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001134776688 765670304 /nfs/dbraw/zinc/67/03/04/765670304.db2.gz VVNNHNBSLQGBNX-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170772793 765678712 /nfs/dbraw/zinc/67/87/12/765678712.db2.gz DQBNRVLUJDSIRF-MFKMUULPSA-N 1 3 321.425 0.517 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)N1CCCCC1 ZINC001124867145 768317930 /nfs/dbraw/zinc/31/79/30/768317930.db2.gz SNQIWAPSPXYWFR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COC ZINC001135437867 765933607 /nfs/dbraw/zinc/93/36/07/765933607.db2.gz ZCQBSWVXPISWBN-AWEZNQCLSA-N 1 3 303.447 0.212 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H](C)C(=O)NC)C(C)C ZINC001135474123 765940155 /nfs/dbraw/zinc/94/01/55/765940155.db2.gz HPSCGBIFWMEKHN-OLZOCXBDSA-N 1 3 300.447 0.193 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)COCC(C)C ZINC001135513321 765967073 /nfs/dbraw/zinc/96/70/73/765967073.db2.gz MNHGAXFYDNERAO-AWEZNQCLSA-N 1 3 303.447 0.068 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001135977168 766197756 /nfs/dbraw/zinc/19/77/56/766197756.db2.gz QGPGTIVMIIRNQK-UONOGXRCSA-N 1 3 314.474 0.726 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(CCCF)C[C@@H]2O)CC1 ZINC001090619918 766385537 /nfs/dbraw/zinc/38/55/37/766385537.db2.gz AYEIVCOMZPLYOC-GJZGRUSLSA-N 1 3 315.433 0.629 20 0 DCADHO C[NH+]1CC2(CN(C(=O)[C@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 ZINC001143669455 766692982 /nfs/dbraw/zinc/69/29/82/766692982.db2.gz HTQNVOHHDQRQFF-JKSUJKDBSA-N 1 3 315.417 0.396 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCCNCC(=O)Nc2ccon2)C1 ZINC001171226457 767050697 /nfs/dbraw/zinc/05/06/97/767050697.db2.gz GWBODBBYKGDVJO-GFCCVEGCSA-N 1 3 323.397 0.051 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCCNCC(=O)Nc2ccon2)C1 ZINC001171226457 767050707 /nfs/dbraw/zinc/05/07/07/767050707.db2.gz GWBODBBYKGDVJO-GFCCVEGCSA-N 1 3 323.397 0.051 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC2CC([NH2+]CCO)C2)c1 ZINC001091376179 767251253 /nfs/dbraw/zinc/25/12/53/767251253.db2.gz ONSBLSNMHJOIIH-UHFFFAOYSA-N 1 3 305.422 0.839 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCNCc2cnn(C)c2)CC1 ZINC001146355948 767441462 /nfs/dbraw/zinc/44/14/62/767441462.db2.gz IWTYRBBJNWWFLR-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001121245043 767478839 /nfs/dbraw/zinc/47/88/39/767478839.db2.gz CENMFEYYKXFREI-QNJCKLSPSA-N 1 3 322.453 0.090 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001146581485 767483346 /nfs/dbraw/zinc/48/33/46/767483346.db2.gz CFZJJWBLFULHDE-CHWSQXEVSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)N(C)C ZINC001121267741 767489917 /nfs/dbraw/zinc/48/99/17/767489917.db2.gz QZIZEXOOLVGNEU-VWVFYJPSSA-N 1 3 310.442 0.075 20 0 DCADHO Cc1cc(CNCCCNC(=O)C23CC[NH+](CC2)C3)ncn1 ZINC001171293404 767622514 /nfs/dbraw/zinc/62/25/14/767622514.db2.gz ISSBDVCLQGNCBD-UHFFFAOYSA-N 1 3 303.410 0.477 20 0 DCADHO CC[C@H]([NH2+]C1CC2(CC(NC(=O)CN(CC)CC)C2)C1)C(N)=O ZINC001121935316 767672943 /nfs/dbraw/zinc/67/29/43/767672943.db2.gz MPYSTGPKXPJTSU-XJIRZWNVSA-N 1 3 324.469 0.609 20 0 DCADHO COc1ccccc1[C@@H](CNC(=O)CNCC[NH3+])N1CCCC1 ZINC001121973848 767685301 /nfs/dbraw/zinc/68/53/01/767685301.db2.gz CPECPKJOGHBYGS-OAHLLOKOSA-N 1 3 320.437 0.497 20 0 DCADHO CN(C(=O)CNCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001121987590 767690649 /nfs/dbraw/zinc/69/06/49/767690649.db2.gz CSQFBTBMMHTFDN-MRXNPFEDSA-N 1 3 304.438 0.658 20 0 DCADHO C[NH2+]C1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC001121996917 767693162 /nfs/dbraw/zinc/69/31/62/767693162.db2.gz NYPRDVJCXGBXGY-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](O)C[NH3+])c(C)c2)CC1 ZINC001122005802 767695036 /nfs/dbraw/zinc/69/50/36/767695036.db2.gz UTVWFLCYAIWAFO-OAHLLOKOSA-N 1 3 320.437 0.785 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)N(C)C)C2 ZINC001122249199 767750860 /nfs/dbraw/zinc/75/08/60/767750860.db2.gz PCLRSQMYFHAMME-UHFFFAOYSA-N 1 3 324.469 0.432 20 0 DCADHO O=C1CC[C@H](CN2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)N1 ZINC001202830674 768415866 /nfs/dbraw/zinc/41/58/66/768415866.db2.gz DUFKKZYCIOYCGR-OFQRWUPVSA-N 1 3 300.406 0.724 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](CCCF)CCCO1)N(C)C ZINC001149895735 768904941 /nfs/dbraw/zinc/90/49/41/768904941.db2.gz LKMNFJCOGWKUBJ-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](CCCF)CCCO1)N(C)C ZINC001149895735 768904947 /nfs/dbraw/zinc/90/49/47/768904947.db2.gz LKMNFJCOGWKUBJ-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO CCOCCN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194357 769033369 /nfs/dbraw/zinc/03/33/69/769033369.db2.gz SLLJAFVYKCRXAD-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CC(C)OCCN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242328 769045911 /nfs/dbraw/zinc/04/59/11/769045911.db2.gz VSRWZWMWTXSJSU-HNNXBMFYSA-N 1 3 315.458 0.570 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606280 769137724 /nfs/dbraw/zinc/13/77/24/769137724.db2.gz DORYBJDDQATEBY-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCOCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150707451 769165656 /nfs/dbraw/zinc/16/56/56/769165656.db2.gz YMSAVBQKWVITKL-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CCOCCN1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001150707451 769165658 /nfs/dbraw/zinc/16/56/58/769165658.db2.gz YMSAVBQKWVITKL-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCc2cccs2)C1 ZINC001151065660 769250915 /nfs/dbraw/zinc/25/09/15/769250915.db2.gz MDPCEUYVOKRVRR-GFCCVEGCSA-N 1 3 324.450 0.022 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCc2cccs2)C1 ZINC001151065660 769250921 /nfs/dbraw/zinc/25/09/21/769250921.db2.gz MDPCEUYVOKRVRR-GFCCVEGCSA-N 1 3 324.450 0.022 20 0 DCADHO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)cn2)CC1 ZINC001232360745 769310153 /nfs/dbraw/zinc/31/01/53/769310153.db2.gz NETFDSYRLILQII-JKSUJKDBSA-N 1 3 320.437 0.009 20 0 DCADHO CN1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)cn2)CC1 ZINC001232360745 769310166 /nfs/dbraw/zinc/31/01/66/769310166.db2.gz NETFDSYRLILQII-JKSUJKDBSA-N 1 3 320.437 0.009 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001171770029 769371895 /nfs/dbraw/zinc/37/18/95/769371895.db2.gz KEWKLZPUJCIGBD-CQSZACIVSA-N 1 3 314.474 0.679 20 0 DCADHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172007036 769407906 /nfs/dbraw/zinc/40/79/06/769407906.db2.gz HQZFDPQEPMAWKX-CQSZACIVSA-N 1 3 323.437 0.886 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001152149316 769491696 /nfs/dbraw/zinc/49/16/96/769491696.db2.gz XDEJEQPOCONABI-KBPBESRZSA-N 1 3 307.442 0.541 20 0 DCADHO CC(C)(C)NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340524 769531093 /nfs/dbraw/zinc/53/10/93/769531093.db2.gz QLAOYGXGWRSGCO-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001152446056 769559503 /nfs/dbraw/zinc/55/95/03/769559503.db2.gz SDGCCQTXBOQFJR-HNNXBMFYSA-N 1 3 311.401 0.905 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC001152459045 769567102 /nfs/dbraw/zinc/56/71/02/769567102.db2.gz XOQSZTCINIVDGJ-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc2ncnn2c1 ZINC001152864228 769659036 /nfs/dbraw/zinc/65/90/36/769659036.db2.gz VUBLRFBODXCFQJ-UHFFFAOYSA-N 1 3 303.370 0.407 20 0 DCADHO C[NH+](C)CCCN1CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173762845 769716568 /nfs/dbraw/zinc/71/65/68/769716568.db2.gz DNQCWGUWRWNJQB-HZPDHXFCSA-N 1 3 321.473 0.726 20 0 DCADHO C[C@@H](N)C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001235575213 769899312 /nfs/dbraw/zinc/89/93/12/769899312.db2.gz NDZHMIPXXUIFPP-QHSBEEBCSA-N 1 3 307.394 0.437 20 0 DCADHO C[C@@H](N)C[N@H+]1C[C@@H]2COC[C@@H](C(=O)NCc3ccco3)[C@@H]2C1 ZINC001235575213 769899326 /nfs/dbraw/zinc/89/93/26/769899326.db2.gz NDZHMIPXXUIFPP-QHSBEEBCSA-N 1 3 307.394 0.437 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2nc3c(s2)CNCC3)C1 ZINC001235769472 769945409 /nfs/dbraw/zinc/94/54/09/769945409.db2.gz BOFMCHJXQWUOIX-NXEZZACHSA-N 1 3 310.423 0.111 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCN(C)CCOCCO)C1 ZINC001175821408 769975420 /nfs/dbraw/zinc/97/54/20/769975420.db2.gz BSAMEGSTGGUQKG-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCN(C)CCOCCO)C1 ZINC001175821408 769975429 /nfs/dbraw/zinc/97/54/29/769975429.db2.gz BSAMEGSTGGUQKG-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO COc1cc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)sn1 ZINC001176072389 770010474 /nfs/dbraw/zinc/01/04/74/770010474.db2.gz RWGLYRVWNRUFDC-LLVKDONJSA-N 1 3 312.439 0.699 20 0 DCADHO COc1cc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)sn1 ZINC001176072389 770010485 /nfs/dbraw/zinc/01/04/85/770010485.db2.gz RWGLYRVWNRUFDC-LLVKDONJSA-N 1 3 312.439 0.699 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001176760339 770168776 /nfs/dbraw/zinc/16/87/76/770168776.db2.gz VHTSBRBQKISFII-UONOGXRCSA-N 1 3 312.458 0.611 20 0 DCADHO S=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)NC[C@@H]1CCCO1 ZINC001239363829 770212116 /nfs/dbraw/zinc/21/21/16/770212116.db2.gz QBKWMFYPNXMJNW-STQMWFEESA-N 1 3 312.483 0.504 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948311 770250817 /nfs/dbraw/zinc/25/08/17/770250817.db2.gz QOYLQQMWYBPMCG-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CN1CCO[C@@H](CNc2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC001155197720 770426769 /nfs/dbraw/zinc/42/67/69/770426769.db2.gz RDLYNTNGSHBRAW-AWEZNQCLSA-N 1 3 305.426 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001206654433 770446740 /nfs/dbraw/zinc/44/67/40/770446740.db2.gz XSMSSAHCCHIIAT-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](CCOCCO)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155237758 770447062 /nfs/dbraw/zinc/44/70/62/770447062.db2.gz INUFDYWQQDRNEB-LSDHHAIUSA-N 1 3 315.458 0.164 20 0 DCADHO CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155237758 770447065 /nfs/dbraw/zinc/44/70/65/770447065.db2.gz INUFDYWQQDRNEB-LSDHHAIUSA-N 1 3 315.458 0.164 20 0 DCADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc(Cl)nc3c2CCNC3)N1 ZINC001155573274 770550107 /nfs/dbraw/zinc/55/01/07/770550107.db2.gz BDXZJNRIAMFKBF-SMDDNHRTSA-N 1 3 307.785 0.371 20 0 DCADHO CC(C)[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155789930 770619197 /nfs/dbraw/zinc/61/91/97/770619197.db2.gz IBFRJJDNWXDJPG-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]([NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001178698393 770841892 /nfs/dbraw/zinc/84/18/92/770841892.db2.gz GCGUOAOGLPNWMP-JSGCOSHPSA-N 1 3 312.458 0.467 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+]CCOCCO ZINC001179850984 771023215 /nfs/dbraw/zinc/02/32/15/771023215.db2.gz QAEUNWQXEGNJLV-UHFFFAOYSA-N 1 3 317.474 0.603 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)CN1CCCC1 ZINC001180132152 771060857 /nfs/dbraw/zinc/06/08/57/771060857.db2.gz URFUQUBKQONDJM-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124710 771066450 /nfs/dbraw/zinc/06/64/50/771066450.db2.gz OFFLCHZYMKBAJV-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124710 771066452 /nfs/dbraw/zinc/06/64/52/771066452.db2.gz OFFLCHZYMKBAJV-ZNMIVQPWSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001180226701 771077049 /nfs/dbraw/zinc/07/70/49/771077049.db2.gz HHDWCOLCNNEDSZ-IHRRRGAJSA-N 1 3 312.458 0.382 20 0 DCADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001180369701 771114406 /nfs/dbraw/zinc/11/44/06/771114406.db2.gz SSHRYUVAWRQZLA-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCCO)C2)C1 ZINC001182630462 771517057 /nfs/dbraw/zinc/51/70/57/771517057.db2.gz XKBDRPDGADKWFE-BFYDXBDKSA-N 1 3 311.470 0.785 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001182614649 771522533 /nfs/dbraw/zinc/52/25/33/771522533.db2.gz LYSUVJRBNZZYQL-DVOMOZLQSA-N 1 3 310.442 0.030 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741168 771546333 /nfs/dbraw/zinc/54/63/33/771546333.db2.gz KCZWFVLVTMWHCN-MLGOLLRUSA-N 1 3 321.425 0.163 20 0 DCADHO COc1cc2c(cc1OC)[C@H](CNC(=O)[C@H](N)CCC[NH3+])C2 ZINC001157424753 771607296 /nfs/dbraw/zinc/60/72/96/771607296.db2.gz XUBFVRFCRSKDIG-WCQYABFASA-N 1 3 307.394 0.526 20 0 DCADHO N[C@H]1CN(C(=O)C2(Cc3ccccn3)CC[NH2+]CC2)C[C@H]1F ZINC001157531226 771626800 /nfs/dbraw/zinc/62/68/00/771626800.db2.gz NPNBAPNAEGIRPN-KGLIPLIRSA-N 1 3 306.385 0.502 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183268836 771631544 /nfs/dbraw/zinc/63/15/44/771631544.db2.gz YOOWPNGCEZXLOF-GDBMZVCRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CC(C)([NH3+])C1 ZINC001157643575 771647106 /nfs/dbraw/zinc/64/71/06/771647106.db2.gz BPYSPGGFYQXWEM-STQMWFEESA-N 1 3 312.458 0.450 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001157716929 771657889 /nfs/dbraw/zinc/65/78/89/771657889.db2.gz TYQUMUBETFVPGR-INIZCTEOSA-N 1 3 317.433 0.755 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001183738179 771695801 /nfs/dbraw/zinc/69/58/01/771695801.db2.gz JLOBLAGBINOJBI-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001183738179 771695802 /nfs/dbraw/zinc/69/58/02/771695802.db2.gz JLOBLAGBINOJBI-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2cc3c(cc2C1)OCO3 ZINC001157984171 771707352 /nfs/dbraw/zinc/70/73/52/771707352.db2.gz YASCBFMPYMBWCA-CYBMUJFWSA-N 1 3 315.373 0.109 20 0 DCADHO Cc1ncc(CNCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001158196782 771738898 /nfs/dbraw/zinc/73/88/98/771738898.db2.gz NPZHMTJUEBPWIF-OAHLLOKOSA-N 1 3 306.410 0.921 20 0 DCADHO Cc1noc2ncnc(N3CCC([N@@H+]4CC[C@H](N)C4)CC3)c12 ZINC001158267557 771750425 /nfs/dbraw/zinc/75/04/25/771750425.db2.gz IBBBVITUFQSVRS-NSHDSACASA-N 1 3 302.382 0.928 20 0 DCADHO Cc1noc2ncnc(N3CCC([N@H+]4CC[C@H](N)C4)CC3)c12 ZINC001158267557 771750427 /nfs/dbraw/zinc/75/04/27/771750427.db2.gz IBBBVITUFQSVRS-NSHDSACASA-N 1 3 302.382 0.928 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158506185 771783838 /nfs/dbraw/zinc/78/38/38/771783838.db2.gz JERTXXHTTMYMSO-UKRRQHHQSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158506185 771783842 /nfs/dbraw/zinc/78/38/42/771783842.db2.gz JERTXXHTTMYMSO-UKRRQHHQSA-N 1 3 322.409 0.442 20 0 DCADHO CN1CCC(N(c2ncnc3c2CNC3)C2CC[NH2+]CC2)CC1 ZINC001158575703 771792109 /nfs/dbraw/zinc/79/21/09/771792109.db2.gz RYVALWUSBLDVJM-UHFFFAOYSA-N 1 3 316.453 0.732 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)C[C@@H]3CCNC[C@@H]3F)C[C@H]2CF)CC1 ZINC001158577160 771792268 /nfs/dbraw/zinc/79/22/68/771792268.db2.gz GVRYRPKSTGXQOU-LOWDOPEQSA-N 1 3 301.381 0.860 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551387 771803315 /nfs/dbraw/zinc/80/33/15/771803315.db2.gz MHBOXOZJSWPOJN-ZBFHGGJFSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]Cc1ccnn1C ZINC001159155702 771867339 /nfs/dbraw/zinc/86/73/39/771867339.db2.gz SUJAAVXKOKXNSH-CQSZACIVSA-N 1 3 313.421 0.696 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NC2CCCC2)C1 ZINC001185249530 771888076 /nfs/dbraw/zinc/88/80/76/771888076.db2.gz ZNRDYFHMCASXKK-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001185264120 771893974 /nfs/dbraw/zinc/89/39/74/771893974.db2.gz AOBDEURKPIUHGW-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1)[NH+](C)C ZINC001185456055 771918000 /nfs/dbraw/zinc/91/80/00/771918000.db2.gz YPGKGUOXYWIAOI-BFHYXJOUSA-N 1 3 312.458 0.240 20 0 DCADHO C[C@H](Nc1cccc(N2CCN(C)CC2)n1)[C@H]1C[NH2+]CCO1 ZINC001159499393 771920015 /nfs/dbraw/zinc/92/00/15/771920015.db2.gz PPFNONPONWDMJQ-UONOGXRCSA-N 1 3 305.426 0.622 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1)[NH+](CC)CC ZINC001185609256 771935251 /nfs/dbraw/zinc/93/52/51/771935251.db2.gz HLWWGGFFGJNTTC-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001185716348 771948625 /nfs/dbraw/zinc/94/86/25/771948625.db2.gz UDDNMCJPXACDBV-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)N2CCCCC2)CCC1 ZINC001159845802 771967532 /nfs/dbraw/zinc/96/75/32/771967532.db2.gz HEBZDNVHDNULCM-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)C2(N(C)C)CCC2)n1 ZINC001159853375 771968409 /nfs/dbraw/zinc/96/84/09/771968409.db2.gz CWEOCNPPLJLMNP-UHFFFAOYSA-N 1 3 322.457 0.475 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001159861030 771969913 /nfs/dbraw/zinc/96/99/13/771969913.db2.gz IULORLFGUVUITB-GFCCVEGCSA-N 1 3 310.442 0.234 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001185918183 771975877 /nfs/dbraw/zinc/97/58/77/771975877.db2.gz KUKRVIXNJRITHG-SNVBAGLBSA-N 1 3 302.325 0.424 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001185917434 771975984 /nfs/dbraw/zinc/97/59/84/771975984.db2.gz ALNQCOOQDWLCSO-MWLCHTKSSA-N 1 3 320.315 0.456 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159916187 771976794 /nfs/dbraw/zinc/97/67/94/771976794.db2.gz OWSNDYAVRXIDEJ-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1)C1CC1 ZINC001159917453 771977616 /nfs/dbraw/zinc/97/76/16/771977616.db2.gz WUBJPJJYNOTKCW-HNNXBMFYSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159917488 771977620 /nfs/dbraw/zinc/97/76/20/771977620.db2.gz XMEAHQFRYIYWFU-IUODEOHRSA-N 1 3 312.458 0.337 20 0 DCADHO Cc1ccc(N(C(=O)[C@@H](C)N)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160054305 771991807 /nfs/dbraw/zinc/99/18/07/771991807.db2.gz YYRHYGZSVQHGNS-DVOMOZLQSA-N 1 3 319.409 0.376 20 0 DCADHO COC[C@@H]1COCCC12CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001160057063 771992872 /nfs/dbraw/zinc/99/28/72/771992872.db2.gz FIEDSCOQTDRMGN-ZIAGYGMSSA-N 1 3 313.442 0.344 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001160109524 771998048 /nfs/dbraw/zinc/99/80/48/771998048.db2.gz FLRVGXOMHLYCRK-DRZSPHRISA-N 1 3 322.434 0.236 20 0 DCADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001186412597 772039678 /nfs/dbraw/zinc/03/96/78/772039678.db2.gz QNDHBYKSGHDNIM-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO N[C@H](C(=O)N1CCC[C@@H]1Cc1ccccn1)C1CC[NH2+]CC1 ZINC001160545850 772062534 /nfs/dbraw/zinc/06/25/34/772062534.db2.gz VJPJFOXHGQCJAP-CVEARBPZSA-N 1 3 302.422 0.942 20 0 DCADHO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160564926 772067272 /nfs/dbraw/zinc/06/72/72/772067272.db2.gz ROURPWGOPDAVAH-ZDUSSCGKSA-N 1 3 319.409 0.812 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CCC(=O)O2)CC1 ZINC001160575773 772069948 /nfs/dbraw/zinc/06/99/48/772069948.db2.gz IKROXFBUKGNORI-CYBMUJFWSA-N 1 3 321.421 0.559 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CCC(=O)O2)CC1 ZINC001160575773 772069951 /nfs/dbraw/zinc/06/99/51/772069951.db2.gz IKROXFBUKGNORI-CYBMUJFWSA-N 1 3 321.421 0.559 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001160674983 772092127 /nfs/dbraw/zinc/09/21/27/772092127.db2.gz YMFXISHZKZXVOX-AWEZNQCLSA-N 1 3 316.409 0.278 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC(C)C)C1 ZINC001186834942 772092424 /nfs/dbraw/zinc/09/24/24/772092424.db2.gz YEJOOIWIBMRMEN-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC(C)C)C1 ZINC001186834942 772092427 /nfs/dbraw/zinc/09/24/27/772092427.db2.gz YEJOOIWIBMRMEN-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCn1cccn1)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160694508 772097089 /nfs/dbraw/zinc/09/70/89/772097089.db2.gz WVPSWEIUWUIEPT-CQSZACIVSA-N 1 3 305.426 0.606 20 0 DCADHO CCN(CCn1cccn1)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160694508 772097096 /nfs/dbraw/zinc/09/70/96/772097096.db2.gz WVPSWEIUWUIEPT-CQSZACIVSA-N 1 3 305.426 0.606 20 0 DCADHO CN1CC2(C1)CN(C(=O)c1ccccc1N1CC[NH+](C)CC1)C2 ZINC001186897599 772102746 /nfs/dbraw/zinc/10/27/46/772102746.db2.gz LMVJBYDEHFYSEN-UHFFFAOYSA-N 1 3 314.433 0.826 20 0 DCADHO O=C([C@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CCN2CCC1CC2 ZINC001160725470 772103759 /nfs/dbraw/zinc/10/37/59/772103759.db2.gz ASQQVRTYOOUWKL-RHSMWYFYSA-N 1 3 307.438 0.842 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC001160755506 772107410 /nfs/dbraw/zinc/10/74/10/772107410.db2.gz YFINZYYIVZTDMP-CVEARBPZSA-N 1 3 321.421 0.749 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2nn(-c3ccccc3)cc2C1 ZINC001160833597 772118239 /nfs/dbraw/zinc/11/82/39/772118239.db2.gz RFTMXYIWZXZIOD-HNNXBMFYSA-N 1 3 313.405 0.823 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN2CCc3ccccc3[C@@H]2C1 ZINC001160847991 772122460 /nfs/dbraw/zinc/12/24/60/772122460.db2.gz BNQJKQCOWFMRLF-HOTGVXAUSA-N 1 3 302.422 0.494 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN2CCc3ccccc3[C@@H]2C1 ZINC001160849614 772124214 /nfs/dbraw/zinc/12/42/14/772124214.db2.gz RWFCYXARSMTUKR-IRXDYDNUSA-N 1 3 316.449 0.884 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160891027 772133681 /nfs/dbraw/zinc/13/36/81/772133681.db2.gz XWFMQNCOBSPNTF-ZDUSSCGKSA-N 1 3 307.398 0.303 20 0 DCADHO O=C(N1CCOC[C@@H]1c1cccnc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160950457 772142207 /nfs/dbraw/zinc/14/22/07/772142207.db2.gz DEWGKZVJWPFIDM-BFYDXBDKSA-N 1 3 316.405 0.181 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)cn1 ZINC001160967504 772144249 /nfs/dbraw/zinc/14/42/49/772144249.db2.gz MTYDDMVIZPTLBF-QWRGUYRKSA-N 1 3 314.336 0.675 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001187231352 772149823 /nfs/dbraw/zinc/14/98/23/772149823.db2.gz KOPLZZQDLKWTJV-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(=O)N(C(C)C)C1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001161048067 772158569 /nfs/dbraw/zinc/15/85/69/772158569.db2.gz PRRLGPAXVQIXIZ-OAHLLOKOSA-N 1 3 322.453 0.043 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)CC)C1 ZINC001187276258 772158897 /nfs/dbraw/zinc/15/88/97/772158897.db2.gz GFUYWXYAIDBVMZ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)CC)C1 ZINC001187276258 772158898 /nfs/dbraw/zinc/15/88/98/772158898.db2.gz GFUYWXYAIDBVMZ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001161083761 772164058 /nfs/dbraw/zinc/16/40/58/772164058.db2.gz CAQDKENOMONAHJ-KKUMJFAQSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001187321510 772164789 /nfs/dbraw/zinc/16/47/89/772164789.db2.gz BMRHIAUFZKDYFK-OAHLLOKOSA-N 1 3 322.457 0.427 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001187298325 772170701 /nfs/dbraw/zinc/17/07/01/772170701.db2.gz BOWLCIVZWYYCPA-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001187298325 772170704 /nfs/dbraw/zinc/17/07/04/772170704.db2.gz BOWLCIVZWYYCPA-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO COc1cc(N2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)ccn1 ZINC001161306226 772199902 /nfs/dbraw/zinc/19/99/02/772199902.db2.gz HURLIKXBXXXJMA-AWEZNQCLSA-N 1 3 321.425 0.195 20 0 DCADHO Cc1ccc(CN(C(=O)[C@@H](O)CN)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161400151 772217722 /nfs/dbraw/zinc/21/77/22/772217722.db2.gz KJRCHYFNDSVSEO-JYJNAYRXSA-N 1 3 305.422 0.913 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161414042 772219824 /nfs/dbraw/zinc/21/98/24/772219824.db2.gz SKJVCUKSOPXBHW-ZDEQEGDKSA-N 1 3 311.426 0.631 20 0 DCADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C1CCCCC1)CC2 ZINC001161478137 772230961 /nfs/dbraw/zinc/23/09/61/772230961.db2.gz KVSVODFITAOLMO-GRDNDAEWSA-N 1 3 323.437 0.648 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161488748 772232963 /nfs/dbraw/zinc/23/29/63/772232963.db2.gz GAFIKFXPRPSLSM-BLLLJJGKSA-N 1 3 313.442 0.894 20 0 DCADHO COCCC1(CNc2cc3c(nn2)CCNC3)CC[NH2+]CC1 ZINC001161503248 772236288 /nfs/dbraw/zinc/23/62/88/772236288.db2.gz XZJMSOZIMNRFHB-UHFFFAOYSA-N 1 3 305.426 0.941 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1CCn2ncc(Br)c2C1 ZINC001161523361 772239065 /nfs/dbraw/zinc/23/90/65/772239065.db2.gz LXRSPYWRDOQUAE-SECBINFHSA-N 1 3 316.203 0.054 20 0 DCADHO COc1cc2c(cn1)CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001161526556 772239626 /nfs/dbraw/zinc/23/96/26/772239626.db2.gz IRFVZLFOXSKMIQ-HNNXBMFYSA-N 1 3 304.394 0.302 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001188145470 772271746 /nfs/dbraw/zinc/27/17/46/772271746.db2.gz IFFMGQVWNRWGQL-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](F)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872147 772427139 /nfs/dbraw/zinc/42/71/39/772427139.db2.gz HYGVVIGUVDXTRD-MYMJJRTCSA-N 1 3 313.417 0.694 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1)C(N)=O ZINC001206679679 772433469 /nfs/dbraw/zinc/43/34/69/772433469.db2.gz MWBAQFLQURSBIP-CQSZACIVSA-N 1 3 324.469 0.420 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776887 772761573 /nfs/dbraw/zinc/76/15/73/772761573.db2.gz NARWWXSNRLVFKZ-UHFFFAOYSA-N 1 3 311.455 0.784 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001166004204 772777795 /nfs/dbraw/zinc/77/77/95/772777795.db2.gz FOENEVLXBHUFNM-CQSZACIVSA-N 1 3 314.474 0.583 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010188 772778565 /nfs/dbraw/zinc/77/85/65/772778565.db2.gz KBQKMKFAHPKLMO-UONOGXRCSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001166626925 772830134 /nfs/dbraw/zinc/83/01/34/772830134.db2.gz MCPZTNAIAPVMJL-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001166627440 772830895 /nfs/dbraw/zinc/83/08/95/772830895.db2.gz VTWHIHZPNWFYLY-GJZGRUSLSA-N 1 3 324.469 0.483 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166708283 772845597 /nfs/dbraw/zinc/84/55/97/772845597.db2.gz OAKFYMFBTORNGV-KBPBESRZSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708283 772845600 /nfs/dbraw/zinc/84/56/00/772845600.db2.gz OAKFYMFBTORNGV-KBPBESRZSA-N 1 3 307.442 0.697 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC1CC1)CC(C)(C)C ZINC001166744174 772855117 /nfs/dbraw/zinc/85/51/17/772855117.db2.gz LBZACZSXPZWTJI-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO Cn1cncc1C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166759419 772856969 /nfs/dbraw/zinc/85/69/69/772856969.db2.gz UDDSVLIJQSLXKC-UHFFFAOYSA-N 1 3 307.442 0.748 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016204 772858676 /nfs/dbraw/zinc/85/86/76/772858676.db2.gz FIIKMJBIPMMGMQ-HNNXBMFYSA-N 1 3 319.453 0.758 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714464 772920708 /nfs/dbraw/zinc/92/07/08/772920708.db2.gz LQKQPWFDMISDAY-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COCCOCC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203709209 772920883 /nfs/dbraw/zinc/92/08/83/772920883.db2.gz OYSBDAVNGVIGJV-UHFFFAOYSA-N 1 3 313.442 0.326 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC001203925497 772929682 /nfs/dbraw/zinc/92/96/82/772929682.db2.gz QEORPROLTWGSDL-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c(C)cc(=O)oc1C ZINC001192528868 772934791 /nfs/dbraw/zinc/93/47/91/772934791.db2.gz BQVRXUWZVIJOAE-UHFFFAOYSA-N 1 3 308.382 0.934 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193015897 772996177 /nfs/dbraw/zinc/99/61/77/772996177.db2.gz NSCDBSCJSRNQFS-BRWVUGGUSA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001206168086 773052049 /nfs/dbraw/zinc/05/20/49/773052049.db2.gz DAKSOYIPBBEFPL-TZMCWYRMSA-N 1 3 312.458 0.275 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1O ZINC001193456874 773072269 /nfs/dbraw/zinc/07/22/69/773072269.db2.gz YGYMAARWTQSZOI-RBSFLKMASA-N 1 3 317.449 0.874 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1O ZINC001193456874 773072273 /nfs/dbraw/zinc/07/22/73/773072273.db2.gz YGYMAARWTQSZOI-RBSFLKMASA-N 1 3 317.449 0.874 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152148500 773268940 /nfs/dbraw/zinc/26/89/40/773268940.db2.gz QRHJNBJLLFCTRD-OKILXGFUSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CNC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152148500 773268946 /nfs/dbraw/zinc/26/89/46/773268946.db2.gz QRHJNBJLLFCTRD-OKILXGFUSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207688971 773271260 /nfs/dbraw/zinc/27/12/60/773271260.db2.gz UTEZKSVXBBHANO-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328458 773433880 /nfs/dbraw/zinc/43/38/80/773433880.db2.gz DRPOJKIHHYGFNQ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208475484 773472330 /nfs/dbraw/zinc/47/23/30/773472330.db2.gz VJVSGHCZHNNOPV-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475484 773472335 /nfs/dbraw/zinc/47/23/35/773472335.db2.gz VJVSGHCZHNNOPV-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@H]1O ZINC001195859056 773486413 /nfs/dbraw/zinc/48/64/13/773486413.db2.gz DBPAVPVFRSINSK-HZPDHXFCSA-N 1 3 309.454 0.990 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152245628 773528698 /nfs/dbraw/zinc/52/86/98/773528698.db2.gz JDPMDLUOMGLXNL-GFCCVEGCSA-N 1 3 306.410 0.202 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252304 773564315 /nfs/dbraw/zinc/56/43/15/773564315.db2.gz XMLGMXGNSMAOFB-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC)C2)C1 ZINC001209206354 773569355 /nfs/dbraw/zinc/56/93/55/773569355.db2.gz ZXCXREPIFOBFDS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC)C2)C1 ZINC001209206354 773569359 /nfs/dbraw/zinc/56/93/59/773569359.db2.gz ZXCXREPIFOBFDS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001209315205 773590261 /nfs/dbraw/zinc/59/02/61/773590261.db2.gz ORWVWUUUCCMZFN-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001209456343 773608071 /nfs/dbraw/zinc/60/80/71/773608071.db2.gz ZUOQAVXKPGPCJI-CYBMUJFWSA-N 1 3 320.441 0.714 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001209631905 773627523 /nfs/dbraw/zinc/62/75/23/773627523.db2.gz IDJUFRFATVCHLB-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001210219979 773687179 /nfs/dbraw/zinc/68/71/79/773687179.db2.gz VYLKJECVHMEBFJ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001210782326 773736671 /nfs/dbraw/zinc/73/66/71/773736671.db2.gz LGVXOZMMLZVPQC-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001210812410 773741637 /nfs/dbraw/zinc/74/16/37/773741637.db2.gz ZJYPKACVUFNVEZ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211251063 773785510 /nfs/dbraw/zinc/78/55/10/773785510.db2.gz ZGGBCTQXRZPTDJ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211267829 773787166 /nfs/dbraw/zinc/78/71/66/773787166.db2.gz DICGEEQUJYFPRN-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197792648 773801500 /nfs/dbraw/zinc/80/15/00/773801500.db2.gz PJBMXGZZXICYST-JWQHCSQXSA-N 1 3 309.454 0.846 20 0 DCADHO CC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197792648 773801506 /nfs/dbraw/zinc/80/15/06/773801506.db2.gz PJBMXGZZXICYST-JWQHCSQXSA-N 1 3 309.454 0.846 20 0 DCADHO CO[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213348705 773836823 /nfs/dbraw/zinc/83/68/23/773836823.db2.gz SHHSACVUZGUARX-RBSFLKMASA-N 1 3 315.458 0.305 20 0 DCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198654334 773957702 /nfs/dbraw/zinc/95/77/02/773957702.db2.gz SKCVFPCYSURAQY-UVRCXTANSA-N 1 3 309.454 0.846 20 0 DCADHO CCC/C=C\CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198654334 773957705 /nfs/dbraw/zinc/95/77/05/773957705.db2.gz SKCVFPCYSURAQY-UVRCXTANSA-N 1 3 309.454 0.846 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214343729 773961671 /nfs/dbraw/zinc/96/16/71/773961671.db2.gz DUNSWSXFGRVANK-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC001203925933 774036373 /nfs/dbraw/zinc/03/63/73/774036373.db2.gz ZSRMAEVLJYVWKA-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC(=O)N(C)C ZINC001215298752 774056809 /nfs/dbraw/zinc/05/68/09/774056809.db2.gz GANWBUVEEGYHSC-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cnc(=O)n(C(C)C)c1 ZINC001199251733 774069218 /nfs/dbraw/zinc/06/92/18/774069218.db2.gz XEDLJVBTUJVTFY-UHFFFAOYSA-N 1 3 322.413 0.502 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001215989934 774097580 /nfs/dbraw/zinc/09/75/80/774097580.db2.gz ONYCHZQKYUTFJI-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001216511405 774119828 /nfs/dbraw/zinc/11/98/28/774119828.db2.gz QVLKMVZCLSMMEO-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001216754191 774133122 /nfs/dbraw/zinc/13/31/22/774133122.db2.gz KGOHHUQNEJARLB-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC(C)(C)C ZINC001216754191 774133128 /nfs/dbraw/zinc/13/31/28/774133128.db2.gz KGOHHUQNEJARLB-MGPQQGTHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1Oc1cc(C[C@H](N)C(=O)N(C)C)ccc1O ZINC001218046654 774209606 /nfs/dbraw/zinc/20/96/06/774209606.db2.gz WWXNXCZXMQRNBA-PVXIVEMSSA-N 1 3 321.421 0.727 20 0 DCADHO c1ccc(N2CC[NH2+]CC2)c(O[C@H]2CC[C@@H]3NCCO[C@H]32)c1 ZINC001218149977 774213706 /nfs/dbraw/zinc/21/37/06/774213706.db2.gz VUWRFTJHHJQCMV-RRQGHBQHSA-N 1 3 303.406 0.994 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1[nH]nc2nccnc21 ZINC001218569058 774250576 /nfs/dbraw/zinc/25/05/76/774250576.db2.gz YYFJYOHHNAKYDD-JTQLQIEISA-N 1 3 305.386 0.739 20 0 DCADHO O=C(Nc1cnc(C(F)(F)F)nc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218585779 774256537 /nfs/dbraw/zinc/25/65/37/774256537.db2.gz YTAREAFBEFUEOD-QMMMGPOBSA-N 1 3 301.272 0.243 20 0 DCADHO COC(=O)c1ccnc(Cl)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218593095 774258113 /nfs/dbraw/zinc/25/81/13/774258113.db2.gz OGWXTXKAQVSAMY-VIFPVBQESA-N 1 3 324.768 0.269 20 0 DCADHO COC(=O)c1cnc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(Cl)c1 ZINC001218596423 774259457 /nfs/dbraw/zinc/25/94/57/774259457.db2.gz MHTDURQEEQILIQ-SECBINFHSA-N 1 3 324.768 0.269 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1nc(Cl)c(Cl)nc1CO ZINC001218654062 774273860 /nfs/dbraw/zinc/27/38/60/774273860.db2.gz FZLUZWBNZPHMNA-LURJTMIESA-N 1 3 322.196 0.671 20 0 DCADHO N[C@H](C(=O)Nc1cnccc1OC(F)F)C1CC[NH2+]CC1 ZINC001218739603 774292457 /nfs/dbraw/zinc/29/24/57/774292457.db2.gz GNDVXJFSNDNWPV-NSHDSACASA-N 1 3 300.309 0.948 20 0 DCADHO Cc1cnn(CCO)c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218749694 774297090 /nfs/dbraw/zinc/29/70/90/774297090.db2.gz HCBOBVHQULBWFB-ZDUSSCGKSA-N 1 3 311.430 0.618 20 0 DCADHO COC(=O)Cc1ccc(O)c(NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001218869858 774317910 /nfs/dbraw/zinc/31/79/10/774317910.db2.gz SDDJMKIXZYYKMV-NSHDSACASA-N 1 3 309.366 0.503 20 0 DCADHO Cc1cc(NC(=O)[C@H](N)CCC[NH3+])ccc1N1CCOCC1 ZINC001218874672 774319272 /nfs/dbraw/zinc/31/92/72/774319272.db2.gz WHALCXFAINQHOC-CQSZACIVSA-N 1 3 306.410 0.836 20 0 DCADHO CCCCN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970959 774337472 /nfs/dbraw/zinc/33/74/72/774337472.db2.gz PVZDVLUXYVSHQP-LSDHHAIUSA-N 1 3 313.442 0.276 20 0 DCADHO COc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc2cccnc21 ZINC001219200500 774407257 /nfs/dbraw/zinc/40/72/57/774407257.db2.gz YPOIAONBFWQFMH-ZDUSSCGKSA-N 1 3 312.373 0.991 20 0 DCADHO CN1CCNC[C@@H]1C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219236170 774419060 /nfs/dbraw/zinc/41/90/60/774419060.db2.gz NTOQZPFMMPHYCS-CZUORRHYSA-N 1 3 317.437 0.456 20 0 DCADHO COCCCN(C(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccc1N ZINC001219278787 774432718 /nfs/dbraw/zinc/43/27/18/774432718.db2.gz XCVMPKWMHRPMLX-CYBMUJFWSA-N 1 3 318.421 0.447 20 0 DCADHO COCCCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccccc1N ZINC001219277914 774432727 /nfs/dbraw/zinc/43/27/27/774432727.db2.gz FEBILCIROIKTGH-INIZCTEOSA-N 1 3 320.437 0.965 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038215 774443702 /nfs/dbraw/zinc/44/37/02/774443702.db2.gz VWDPRPNQZMXPBO-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOC)C1)N(C)C ZINC001201411049 774505574 /nfs/dbraw/zinc/50/55/74/774505574.db2.gz NNMDMIOKCSWTOU-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CCCF)C1 ZINC001201678583 774536580 /nfs/dbraw/zinc/53/65/80/774536580.db2.gz LTVFBFHMYOFNSC-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219685029 774579110 /nfs/dbraw/zinc/57/91/10/774579110.db2.gz VKISODBKDSXYIG-BMFZPTHFSA-N 1 3 305.422 0.905 20 0 DCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C(=O)N2 ZINC001219686942 774579211 /nfs/dbraw/zinc/57/92/11/774579211.db2.gz ASPZLKZNEAZGST-KGLIPLIRSA-N 1 3 302.378 0.431 20 0 DCADHO N[C@@H](Cc1cccc2ccccc21)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696220 774581935 /nfs/dbraw/zinc/58/19/35/774581935.db2.gz COGQADAYUCYJCE-INIZCTEOSA-N 1 3 313.401 0.550 20 0 DCADHO O=C(C[C@H]1CNCCO1)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788132 774607185 /nfs/dbraw/zinc/60/71/85/774607185.db2.gz OROSNCQNSFSKLS-HIFRSBDPSA-N 1 3 306.410 0.092 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001219847544 774627174 /nfs/dbraw/zinc/62/71/74/774627174.db2.gz KGYBIHWRTRYIEP-OLMNGRFOSA-N 1 3 316.405 0.368 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c(C)c1 ZINC001219854856 774629188 /nfs/dbraw/zinc/62/91/88/774629188.db2.gz YOTBYJRCXAQMGJ-FXUDXRNXSA-N 1 3 303.406 0.276 20 0 DCADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1cc2c(s1)CNCC2 ZINC001219854712 774629320 /nfs/dbraw/zinc/62/93/20/774629320.db2.gz QVDUJHGQOLDGGP-RWMBFGLXSA-N 1 3 321.446 0.748 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353645 774640741 /nfs/dbraw/zinc/64/07/41/774640741.db2.gz PFNLCOFIJDOOTC-LSDHHAIUSA-N 1 3 315.458 0.161 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219925566 774648489 /nfs/dbraw/zinc/64/84/89/774648489.db2.gz ORMFFUSFIBFSQD-HUUCEWRRSA-N 1 3 315.417 0.981 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2O1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219925566 774648493 /nfs/dbraw/zinc/64/84/93/774648493.db2.gz ORMFFUSFIBFSQD-HUUCEWRRSA-N 1 3 315.417 0.981 20 0 DCADHO CCOC(=O)C(F)(F)CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220096578 774692569 /nfs/dbraw/zinc/69/25/69/774692569.db2.gz CYYHCXFLFISXLG-NSHDSACASA-N 1 3 323.384 0.797 20 0 DCADHO N[C@H](C(=O)NC1(C(F)(F)F)CCOCC1)C1CC[NH2+]CC1 ZINC001220157167 774712931 /nfs/dbraw/zinc/71/29/31/774712931.db2.gz ZBUWBLJDALQGKV-JTQLQIEISA-N 1 3 309.332 0.541 20 0 DCADHO COc1cc(CNC(=O)[C@H](N)CCC[NH3+])ccc1OC1COC1 ZINC001220191861 774727698 /nfs/dbraw/zinc/72/76/98/774727698.db2.gz RGJHJNWXWLORAV-CYBMUJFWSA-N 1 3 323.393 0.155 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001220273307 774751956 /nfs/dbraw/zinc/75/19/56/774751956.db2.gz GZOZWDZKSVUDOD-CVEARBPZSA-N 1 3 305.422 0.342 20 0 DCADHO CC1(C(=O)NCc2ncn3c2CNCCC3)CCC([NH3+])CC1 ZINC001220310573 774766099 /nfs/dbraw/zinc/76/60/99/774766099.db2.gz BROVGCCPCDVJJT-UHFFFAOYSA-N 1 3 305.426 0.900 20 0 DCADHO COc1cc2c(cc1C)C[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001220378544 774787581 /nfs/dbraw/zinc/78/75/81/774787581.db2.gz BKQUOTDRQFJXBY-NVXWUHKLSA-N 1 3 317.433 0.914 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@]2(C)CC(C)(C)C[NH2+]2)CCNC1 ZINC001220521836 774835220 /nfs/dbraw/zinc/83/52/20/774835220.db2.gz QFPBRNRJUKNPHD-INIZCTEOSA-N 1 3 309.410 0.691 20 0 DCADHO N=C(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc2ccccc2n1 ZINC001220594674 774859144 /nfs/dbraw/zinc/85/91/44/774859144.db2.gz NCAGQJGONFKOTC-LBPRGKRZSA-N 1 3 309.373 0.485 20 0 DCADHO N=C(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc2ccccc2n1 ZINC001220594673 774859616 /nfs/dbraw/zinc/85/96/16/774859616.db2.gz NCAGQJGONFKOTC-GFCCVEGCSA-N 1 3 309.373 0.485 20 0 DCADHO O=C(N[C@@H]1CNc2ccccc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220598700 774860887 /nfs/dbraw/zinc/86/08/87/774860887.db2.gz AJFIBFFRWLCWCC-JKIFEVAISA-N 1 3 300.406 0.339 20 0 DCADHO C[C@](N)(CO)C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220606756 774863981 /nfs/dbraw/zinc/86/39/81/774863981.db2.gz CZPJSLBUBJGISQ-PWSUYJOCSA-N 1 3 316.199 0.275 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H](c1ccccc1)C1(O)CCC1 ZINC001220728104 774903459 /nfs/dbraw/zinc/90/34/59/774903459.db2.gz XZRHEUBTZNKEIX-KBPBESRZSA-N 1 3 323.462 0.778 20 0 DCADHO CC(C)CCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771187 774911011 /nfs/dbraw/zinc/91/10/11/774911011.db2.gz IHCDAIUSEFAEKF-CABCVRRESA-N 1 3 309.454 0.680 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786271 774914167 /nfs/dbraw/zinc/91/41/67/774914167.db2.gz SWLGVBWDBAJOJB-AEGPPILISA-N 1 3 314.393 0.142 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786271 774914170 /nfs/dbraw/zinc/91/41/70/774914170.db2.gz SWLGVBWDBAJOJB-AEGPPILISA-N 1 3 314.393 0.142 20 0 DCADHO N[C@H](C(=O)NCc1cc(F)cnc1Cl)C1CC[NH2+]CC1 ZINC001220810421 774921910 /nfs/dbraw/zinc/92/19/10/774921910.db2.gz GKXYYCPQAKDMTA-NSHDSACASA-N 1 3 300.765 0.817 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@@H]1O ZINC001220825713 774926311 /nfs/dbraw/zinc/92/63/11/774926311.db2.gz CLJCBIJXUVHWDI-MJBXVCDLSA-N 1 3 303.422 0.628 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@@H]1O ZINC001220825713 774926316 /nfs/dbraw/zinc/92/63/16/774926316.db2.gz CLJCBIJXUVHWDI-MJBXVCDLSA-N 1 3 303.422 0.628 20 0 DCADHO Cc1noc(C2(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)CC2)n1 ZINC001220932534 774956714 /nfs/dbraw/zinc/95/67/14/774956714.db2.gz MRCOTQSMCCSMKU-LBPRGKRZSA-N 1 3 309.414 0.979 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCOCC2CC2)CC1 ZINC001202667297 774984074 /nfs/dbraw/zinc/98/40/74/774984074.db2.gz HWIJLSBDZBBBJM-UHFFFAOYSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)N(C)C ZINC001202667887 774984138 /nfs/dbraw/zinc/98/41/38/774984138.db2.gz PACOXEOMYRFBQD-LLVKDONJSA-N 1 3 307.398 0.010 20 0 DCADHO COC(=O)c1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)[nH]1 ZINC001221079496 774991348 /nfs/dbraw/zinc/99/13/48/774991348.db2.gz CBLBADQPAONRGB-GFCCVEGCSA-N 1 3 320.393 0.292 20 0 DCADHO COC(=O)c1ccc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)[nH]1 ZINC001221079496 774991354 /nfs/dbraw/zinc/99/13/54/774991354.db2.gz CBLBADQPAONRGB-GFCCVEGCSA-N 1 3 320.393 0.292 20 0 DCADHO O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1CNC[C@@H](F)C1 ZINC001221114233 774999655 /nfs/dbraw/zinc/99/96/55/774999655.db2.gz RSBSWGMTDUSRCS-KGLIPLIRSA-N 1 3 320.412 0.767 20 0 DCADHO CC(C)CN(C(=O)[C@H]1COC2(CNC2)CN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188613 775020761 /nfs/dbraw/zinc/02/07/61/775020761.db2.gz ZCPAFFYWRSLRMT-RBSFLKMASA-N 1 3 324.469 0.071 20 0 DCADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221244344 775040506 /nfs/dbraw/zinc/04/05/06/775040506.db2.gz XBUUIWQZSIIXNM-MLTWGDLSSA-N 1 3 323.437 0.407 20 0 DCADHO O=C(N[C@H]1CCCc2cnccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221292872 775057850 /nfs/dbraw/zinc/05/78/50/775057850.db2.gz VGQOJGINBSAJOA-UKPHBRMFSA-N 1 3 300.406 0.774 20 0 DCADHO COC(=O)C12CCC(NC(=O)[C@H](N)C3CC[NH2+]CC3)(CC1)C2 ZINC001221366198 775077851 /nfs/dbraw/zinc/07/78/51/775077851.db2.gz LYLYJUWENCAHTH-UWTIGNOOSA-N 1 3 309.410 0.305 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)C[C@]3(O)CCC[NH2+]C3)CC2)NC1 ZINC001221392717 775083133 /nfs/dbraw/zinc/08/31/33/775083133.db2.gz ZUFUKMVKVHVBRP-QGZVFWFLSA-N 1 3 320.437 0.059 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001221397208 775085824 /nfs/dbraw/zinc/08/58/24/775085824.db2.gz HLJXGTHQPHAYGS-GJZGRUSLSA-N 1 3 301.390 0.338 20 0 DCADHO C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[C@H](C(F)(F)F)CN2)CC1 ZINC001221403090 775088403 /nfs/dbraw/zinc/08/84/03/775088403.db2.gz PNDJXFOVLJBMKX-WDEREUQCSA-N 1 3 323.359 0.490 20 0 DCADHO COc1cccc([C@H](C[NH3+])NC(=O)c2[nH]nc3c2CCNC3)c1 ZINC001221406017 775090790 /nfs/dbraw/zinc/09/07/90/775090790.db2.gz PXBNNLAFJIYDGS-ZDUSSCGKSA-N 1 3 315.377 0.494 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)CN2CCCC[C@H](N)C2=O)[C@H](C)C1 ZINC001221408450 775091667 /nfs/dbraw/zinc/09/16/67/775091667.db2.gz PYAPNOZITOTLGR-QLFBSQMISA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)CN2CCCC[C@H](N)C2=O)[C@H](C)C1 ZINC001221408450 775091671 /nfs/dbraw/zinc/09/16/71/775091671.db2.gz PYAPNOZITOTLGR-QLFBSQMISA-N 1 3 324.469 0.561 20 0 DCADHO CN(CCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21)c1cc[nH+]cc1 ZINC001221662635 775167335 /nfs/dbraw/zinc/16/73/35/775167335.db2.gz WUEHFDYJKKFWDC-GDBMZVCRSA-N 1 3 318.421 0.433 20 0 DCADHO COC[C@H](C)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772079 775191845 /nfs/dbraw/zinc/19/18/45/775191845.db2.gz MSNFEIJQWHJZFQ-RRFJBIMHSA-N 1 3 309.454 0.896 20 0 DCADHO CCN(CC)CC(=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001224911977 775619551 /nfs/dbraw/zinc/61/95/51/775619551.db2.gz ZLOIELZOMCERFO-UHFFFAOYSA-N 1 3 315.458 0.165 20 0 DCADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC001227798103 776009000 /nfs/dbraw/zinc/00/90/00/776009000.db2.gz SECZVTPTJGYZRT-MRXNPFEDSA-N 1 3 319.453 0.804 20 0 DCADHO Cn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCC[NH+](C)C)cn1 ZINC001114750672 776099033 /nfs/dbraw/zinc/09/90/33/776099033.db2.gz MEUCUDQGWMMJNA-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO Cc1cccnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774589 776121272 /nfs/dbraw/zinc/12/12/72/776121272.db2.gz QYYNOJOUGMAZKO-HALDLXJZSA-N 1 3 302.422 0.888 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001229184806 776166708 /nfs/dbraw/zinc/16/67/08/776166708.db2.gz CAGIDGCONHTBMR-HIFRSBDPSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356214 777223606 /nfs/dbraw/zinc/22/36/06/777223606.db2.gz VBNMQJIUGQIRJT-GOEBONIOSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356214 777223613 /nfs/dbraw/zinc/22/36/13/777223613.db2.gz VBNMQJIUGQIRJT-GOEBONIOSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001317573285 945065573 /nfs/dbraw/zinc/06/55/73/945065573.db2.gz NVBPWAPFEKUWFE-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001278033021 945108403 /nfs/dbraw/zinc/10/84/03/945108403.db2.gz ZWGSAYDTMDYGHK-OAHLLOKOSA-N 1 3 319.453 0.935 20 0 DCADHO CC[C@H](C(N)=O)N1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001278033021 945108408 /nfs/dbraw/zinc/10/84/08/945108408.db2.gz ZWGSAYDTMDYGHK-OAHLLOKOSA-N 1 3 319.453 0.935 20 0 DCADHO CN(C)c1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)ccn1 ZINC001317618323 945118472 /nfs/dbraw/zinc/11/84/72/945118472.db2.gz ICTZFDAUEZLGFT-OAHLLOKOSA-N 1 3 319.453 0.790 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001266836437 939248529 /nfs/dbraw/zinc/24/85/29/939248529.db2.gz RTZWIZLUAQQGGZ-HNNXBMFYSA-N 1 3 320.437 0.674 20 0 DCADHO CN(CCNCC(=O)NCC1CCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266980882 939296755 /nfs/dbraw/zinc/29/67/55/939296755.db2.gz ZJDBAIIEEPZKTO-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CN(CCNCC(=O)NCC1CCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266980882 939296759 /nfs/dbraw/zinc/29/67/59/939296759.db2.gz ZJDBAIIEEPZKTO-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]([NH2+]CCOCCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267208312 939387985 /nfs/dbraw/zinc/38/79/85/939387985.db2.gz NCNDXMVSZUDYFY-CYBMUJFWSA-N 1 3 324.425 0.178 20 0 DCADHO CN1CC[C@H](N2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001267305432 939420798 /nfs/dbraw/zinc/42/07/98/939420798.db2.gz AOFREYPXCWMINO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)CCOCC(F)F ZINC001480936696 939440731 /nfs/dbraw/zinc/44/07/31/939440731.db2.gz MODVNYBIDUGOAD-UHFFFAOYSA-N 1 3 305.369 0.412 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456896 939461580 /nfs/dbraw/zinc/46/15/80/939461580.db2.gz MRUUSUOJXLDKNM-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001267958505 939713082 /nfs/dbraw/zinc/71/30/82/939713082.db2.gz OQHUYICSJVZXAE-ZIAGYGMSSA-N 1 3 308.430 0.199 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314636 939742628 /nfs/dbraw/zinc/74/26/28/939742628.db2.gz JNTDTOJUPQGSCI-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481314636 939742629 /nfs/dbraw/zinc/74/26/29/939742629.db2.gz JNTDTOJUPQGSCI-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC001481319404 939746196 /nfs/dbraw/zinc/74/61/96/939746196.db2.gz CTLNMCFNYSUCIN-LLVKDONJSA-N 1 3 313.364 0.688 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001481748291 940108685 /nfs/dbraw/zinc/10/86/85/940108685.db2.gz PRNVLWPJGGNIHJ-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001481748291 940108686 /nfs/dbraw/zinc/10/86/86/940108686.db2.gz PRNVLWPJGGNIHJ-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCC(=O)NC ZINC001481854634 940162256 /nfs/dbraw/zinc/16/22/56/940162256.db2.gz FOPFDOOKDANTPE-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)CNCC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001481898779 940175631 /nfs/dbraw/zinc/17/56/31/940175631.db2.gz CHAGCHCUDBZUNX-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CNC(=O)CNCC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCC1 ZINC001481898779 940175633 /nfs/dbraw/zinc/17/56/33/940175633.db2.gz CHAGCHCUDBZUNX-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001268590467 940272401 /nfs/dbraw/zinc/27/24/01/940272401.db2.gz GVMOKRFCSOLHGQ-IHDARNGBSA-N 1 3 310.442 0.067 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001268590467 940272405 /nfs/dbraw/zinc/27/24/05/940272405.db2.gz GVMOKRFCSOLHGQ-IHDARNGBSA-N 1 3 310.442 0.067 20 0 DCADHO Cc1nnc([C@H](C)NC[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001482139376 940280835 /nfs/dbraw/zinc/28/08/35/940280835.db2.gz UAICNHPFCYSXAZ-NEPJUHHUSA-N 1 3 322.457 0.858 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cnnn1C)N(C)C ZINC001268839849 940379201 /nfs/dbraw/zinc/37/92/01/940379201.db2.gz OCQQQQJBOSEYHK-CQSZACIVSA-N 1 3 310.446 0.339 20 0 DCADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246088038 945333843 /nfs/dbraw/zinc/33/38/43/945333843.db2.gz HXICCSDGLGIZQG-PWNZVWSESA-N 1 3 302.390 0.760 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001269249343 940661976 /nfs/dbraw/zinc/66/19/76/940661976.db2.gz WHLIKSIRCSMCIG-RBSFLKMASA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001269249343 940661977 /nfs/dbraw/zinc/66/19/77/940661977.db2.gz WHLIKSIRCSMCIG-RBSFLKMASA-N 1 3 322.453 0.092 20 0 DCADHO C[C@@H](C[NH2+]CCOCC(F)F)N(C)C(=O)[C@H]1CCCN1C ZINC001482264454 940833327 /nfs/dbraw/zinc/83/33/27/940833327.db2.gz ALTWSRLPUXIXDI-NWDGAFQWSA-N 1 3 307.385 0.799 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001482293102 940912523 /nfs/dbraw/zinc/91/25/23/940912523.db2.gz SMWUFNXZFZHKDV-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C ZINC001270669920 940961074 /nfs/dbraw/zinc/96/10/74/940961074.db2.gz IEOTUEQPPNDHDS-DKUMPPAJSA-N 1 3 322.453 0.280 20 0 DCADHO Cc1nnc(CN[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001482427585 941217413 /nfs/dbraw/zinc/21/74/13/941217413.db2.gz BXMRCLPEDAFUSD-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC(N)=O ZINC001482430996 941218213 /nfs/dbraw/zinc/21/82/13/941218213.db2.gz AJYHZGFZRDWJOY-QWHCGFSZSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1)[NH+](C)C ZINC001271147985 941289968 /nfs/dbraw/zinc/28/99/68/941289968.db2.gz JXQQWEDGCFYVJE-SOUVJXGZSA-N 1 3 305.426 0.508 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001409051103 941295366 /nfs/dbraw/zinc/29/53/66/941295366.db2.gz SQGWQUSZVIKUNS-UHFFFAOYSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(C1)CCN(CC(=O)N(C)C)C2 ZINC001271927915 941483044 /nfs/dbraw/zinc/48/30/44/941483044.db2.gz WWSYXMGSVWSFDX-AWEZNQCLSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)[N@H+]1CC[C@H]1C(=O)N1CC2(C1)CCN(CC(=O)N(C)C)C2 ZINC001271927915 941483045 /nfs/dbraw/zinc/48/30/45/941483045.db2.gz WWSYXMGSVWSFDX-AWEZNQCLSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001409162061 941558305 /nfs/dbraw/zinc/55/83/05/941558305.db2.gz OCZOVWNWSOSBRL-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001409162061 941558308 /nfs/dbraw/zinc/55/83/08/941558308.db2.gz OCZOVWNWSOSBRL-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CCNC(=O)CNCCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482931449 941716288 /nfs/dbraw/zinc/71/62/88/941716288.db2.gz RHDOQMNETXPFCY-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001483060297 941817114 /nfs/dbraw/zinc/81/71/14/941817114.db2.gz HWGKLRGFZQBLNL-JHZNUDOXSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@@H](NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001483060297 941817119 /nfs/dbraw/zinc/81/71/19/941817119.db2.gz HWGKLRGFZQBLNL-JHZNUDOXSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)CN(C)CC(C)(C)C ZINC001483167399 941919325 /nfs/dbraw/zinc/91/93/25/941919325.db2.gz ZTTZNEPCAREXOD-CYBMUJFWSA-N 1 3 309.458 0.992 20 0 DCADHO C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001483198036 941931593 /nfs/dbraw/zinc/93/15/93/941931593.db2.gz KQWPYIUBLOSFHO-DOMZBBRYSA-N 1 3 318.421 0.345 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CC(=O)NC)CC1)N(C)C ZINC001409458201 942004482 /nfs/dbraw/zinc/00/44/82/942004482.db2.gz SDGOXRKIJACOTB-RUXDESIVSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C)CN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601901 942088025 /nfs/dbraw/zinc/08/80/25/942088025.db2.gz SVOKOCKNRIADSW-KFWWJZLASA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)[C@@H](O)C1 ZINC001083601901 942088031 /nfs/dbraw/zinc/08/80/31/942088031.db2.gz SVOKOCKNRIADSW-KFWWJZLASA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)[C@@H](O)C1 ZINC001083601901 942088037 /nfs/dbraw/zinc/08/80/37/942088037.db2.gz SVOKOCKNRIADSW-KFWWJZLASA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C[C@@H]1CCc2ncnn21 ZINC001409628318 942101788 /nfs/dbraw/zinc/10/17/88/942101788.db2.gz OBSIFKRBAOUPPO-STQMWFEESA-N 1 3 308.430 0.154 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC001413004097 942193814 /nfs/dbraw/zinc/19/38/14/942193814.db2.gz ZMSNUKAXTOOILC-QGZVFWFLSA-N 1 3 322.497 0.813 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC001413004097 942193817 /nfs/dbraw/zinc/19/38/17/942193817.db2.gz ZMSNUKAXTOOILC-QGZVFWFLSA-N 1 3 322.497 0.813 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001483579292 942438882 /nfs/dbraw/zinc/43/88/82/942438882.db2.gz HFTYZYRAPCURHO-KGLIPLIRSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2cnn(C)c2)C2CC2)C1 ZINC001483587217 942443926 /nfs/dbraw/zinc/44/39/26/942443926.db2.gz BADHUNLXGJMOJC-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO CCCC[C@@H](CNCC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001409829292 942577351 /nfs/dbraw/zinc/57/73/51/942577351.db2.gz DSHLRIHNPPNNHN-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)C1(C(=O)N2CC3(CN(CCn4ccnc4)C3)C2)CC1 ZINC001272308044 942678651 /nfs/dbraw/zinc/67/86/51/942678651.db2.gz NFOALPAIBKOJNO-UHFFFAOYSA-N 1 3 303.410 0.122 20 0 DCADHO CCC[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001272456658 942764559 /nfs/dbraw/zinc/76/45/59/942764559.db2.gz LNVIGARDAOSONS-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CCC[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001272456658 942764562 /nfs/dbraw/zinc/76/45/62/942764562.db2.gz LNVIGARDAOSONS-GOSISDBHSA-N 1 3 322.497 0.958 20 0 DCADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001483959431 943047264 /nfs/dbraw/zinc/04/72/64/943047264.db2.gz TZQJGVXSWPROIK-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001483955769 943053344 /nfs/dbraw/zinc/05/33/44/943053344.db2.gz RCSMZXONRPYYKY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483955769 943053351 /nfs/dbraw/zinc/05/33/51/943053351.db2.gz RCSMZXONRPYYKY-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CCO)CC2)C1 ZINC001484395658 943348106 /nfs/dbraw/zinc/34/81/06/943348106.db2.gz AHQPEVMUFPRXOX-BZUAXINKSA-N 1 3 311.470 0.833 20 0 DCADHO C[C@@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484543516 943445583 /nfs/dbraw/zinc/44/55/83/943445583.db2.gz MSOHAEBOXDWABM-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001484546871 943448604 /nfs/dbraw/zinc/44/86/04/943448604.db2.gz KTPDTPANJFMRRI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001484653066 943493855 /nfs/dbraw/zinc/49/38/55/943493855.db2.gz KKTQJHXHHNFRJA-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CCO1 ZINC001484680334 943502809 /nfs/dbraw/zinc/50/28/09/943502809.db2.gz LZEMANCZYVAZSJ-CABCVRRESA-N 1 3 315.458 0.426 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001484679244 943510150 /nfs/dbraw/zinc/51/01/50/943510150.db2.gz ADPMOIITXATOFN-AGFGORMFSA-N 1 3 303.834 0.896 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001484703937 943523099 /nfs/dbraw/zinc/52/30/99/943523099.db2.gz LIUJCLZLYHYKHD-KRWDZBQOSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001413694718 943589224 /nfs/dbraw/zinc/58/92/24/943589224.db2.gz UWPGTIPWCCSZGH-BLLLJJGKSA-N 1 3 313.417 0.788 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001413694718 943589227 /nfs/dbraw/zinc/58/92/27/943589227.db2.gz UWPGTIPWCCSZGH-BLLLJJGKSA-N 1 3 313.417 0.788 20 0 DCADHO CCOC1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001413720561 943606158 /nfs/dbraw/zinc/60/61/58/943606158.db2.gz GXTVOPIAMVWPTP-UHFFFAOYSA-N 1 3 324.469 0.975 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001485038845 943667239 /nfs/dbraw/zinc/66/72/39/943667239.db2.gz KISCBKDMIXACQZ-BFHYXJOUSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(=O)NC1CC1 ZINC001491055084 943728219 /nfs/dbraw/zinc/72/82/19/943728219.db2.gz KFKABMQDKIOTIQ-GBOPCIDUSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@@H](NCc1n[nH]c(C2CC2)n1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485191379 943747532 /nfs/dbraw/zinc/74/75/32/943747532.db2.gz UTXIMRXWAYRZLO-MNOVXSKESA-N 1 3 308.430 0.617 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CNCc2cn(C)nn2)C1 ZINC001491178557 943806630 /nfs/dbraw/zinc/80/66/30/943806630.db2.gz FCBFUNIGWPXSNL-CQSZACIVSA-N 1 3 322.457 0.485 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CNCc2cn(C)nn2)C1 ZINC001491178557 943806634 /nfs/dbraw/zinc/80/66/34/943806634.db2.gz FCBFUNIGWPXSNL-CQSZACIVSA-N 1 3 322.457 0.485 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001491364816 943941906 /nfs/dbraw/zinc/94/19/06/943941906.db2.gz MKGFRDAQWSXQGV-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO CNC(=O)CNCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001485450232 943943606 /nfs/dbraw/zinc/94/36/06/943943606.db2.gz DDAOKPCDKBSBGZ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001485450232 943943612 /nfs/dbraw/zinc/94/36/12/943943612.db2.gz DDAOKPCDKBSBGZ-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001485686143 944080030 /nfs/dbraw/zinc/08/00/30/944080030.db2.gz JIQYNZAJVVIPAT-IHRRRGAJSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CCOCCOC)CC1 ZINC001203010419 944142758 /nfs/dbraw/zinc/14/27/58/944142758.db2.gz MESLGCGFSPSLSB-UHFFFAOYSA-N 1 3 315.458 0.572 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890177 944154665 /nfs/dbraw/zinc/15/46/65/944154665.db2.gz IYCAHLXJHZRVPM-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CCN(CCn1cncn1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890177 944154671 /nfs/dbraw/zinc/15/46/71/944154671.db2.gz IYCAHLXJHZRVPM-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001272809869 944243506 /nfs/dbraw/zinc/24/35/06/944243506.db2.gz PRUOGKNVLJHHFS-KRWDZBQOSA-N 1 3 318.421 0.773 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)C1=O ZINC001272809869 944243515 /nfs/dbraw/zinc/24/35/15/944243515.db2.gz PRUOGKNVLJHHFS-KRWDZBQOSA-N 1 3 318.421 0.773 20 0 DCADHO C[C@@H]([NH2+]CCCO)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001276779054 944296444 /nfs/dbraw/zinc/29/64/44/944296444.db2.gz PVDOEJYUNHKRSF-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001485836439 944310119 /nfs/dbraw/zinc/31/01/19/944310119.db2.gz BOZZGYNTVKCTJQ-GDBMZVCRSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001485929876 944415108 /nfs/dbraw/zinc/41/51/08/944415108.db2.gz HAXWILMSNSQKLI-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC)C[C@H]1C ZINC001486128606 944605649 /nfs/dbraw/zinc/60/56/49/944605649.db2.gz KHSQGKFGGNZDSO-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC)C[C@H]1C ZINC001486128606 944605653 /nfs/dbraw/zinc/60/56/53/944605653.db2.gz KHSQGKFGGNZDSO-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CC[C@H](N(CCCNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001316921924 944651381 /nfs/dbraw/zinc/65/13/81/944651381.db2.gz GXBZQZYXZNRUAG-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(Cc3cnnn3C)C[C@H]2CC1 ZINC001277601786 944899925 /nfs/dbraw/zinc/89/99/25/944899925.db2.gz RGQOSEUPZVAKAZ-OKILXGFUSA-N 1 3 320.441 0.047 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(Cc3cnnn3C)C[C@H]2CC1 ZINC001277601786 944899932 /nfs/dbraw/zinc/89/99/32/944899932.db2.gz RGQOSEUPZVAKAZ-OKILXGFUSA-N 1 3 320.441 0.047 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC)C1 ZINC001494171263 944972830 /nfs/dbraw/zinc/97/28/30/944972830.db2.gz HYMNWSVGEYYUEG-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NC)C1 ZINC001494171263 944972838 /nfs/dbraw/zinc/97/28/38/944972838.db2.gz HYMNWSVGEYYUEG-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001486610691 944999225 /nfs/dbraw/zinc/99/92/25/944999225.db2.gz UITXQQKPEVCZOY-SLTAFYQDSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001486610691 944999230 /nfs/dbraw/zinc/99/92/30/944999230.db2.gz UITXQQKPEVCZOY-SLTAFYQDSA-N 1 3 324.469 0.291 20 0 DCADHO CC(=O)NCCN1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001277909864 945036711 /nfs/dbraw/zinc/03/67/11/945036711.db2.gz HCWLDEXNRYAVRG-KRWDZBQOSA-N 1 3 310.486 0.862 20 0 DCADHO CC(=O)NCCN1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001277909864 945036719 /nfs/dbraw/zinc/03/67/19/945036719.db2.gz HCWLDEXNRYAVRG-KRWDZBQOSA-N 1 3 310.486 0.862 20 0 DCADHO c1nc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)cc(OC2CCC2)n1 ZINC001246392826 945403053 /nfs/dbraw/zinc/40/30/53/945403053.db2.gz JHNKDKKKONLXRU-GFCCVEGCSA-N 1 3 303.410 0.592 20 0 DCADHO CCCC[C@@H]1C[C@H](N2CCOC[C@@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246608586 945441685 /nfs/dbraw/zinc/44/16/85/945441685.db2.gz XXXAMJUBNSOEFH-BRWVUGGUSA-N 1 3 311.470 0.988 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C[C@@H]2N1 ZINC001246672959 945458087 /nfs/dbraw/zinc/45/80/87/945458087.db2.gz VNJROABNCSGUPX-XMEMRUQMSA-N 1 3 307.438 0.885 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4)C[C@@H]2N1 ZINC001246672959 945458094 /nfs/dbraw/zinc/45/80/94/945458094.db2.gz VNJROABNCSGUPX-XMEMRUQMSA-N 1 3 307.438 0.885 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2CN([C@H]3C[C@H]4CCC[C@@H](C3)[NH2+]4)C[C@@H]2N1 ZINC001246672959 945458100 /nfs/dbraw/zinc/45/81/00/945458100.db2.gz VNJROABNCSGUPX-XMEMRUQMSA-N 1 3 307.438 0.885 20 0 DCADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+](C3CCNCC3)C[C@@H]21 ZINC001246712480 945469602 /nfs/dbraw/zinc/46/96/02/945469602.db2.gz DBPUCQZAHZCJBU-AEGPPILISA-N 1 3 310.442 0.347 20 0 DCADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+](C3CCNCC3)C[C@@H]21 ZINC001246712480 945469606 /nfs/dbraw/zinc/46/96/06/945469606.db2.gz DBPUCQZAHZCJBU-AEGPPILISA-N 1 3 310.442 0.347 20 0 DCADHO CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C3CC[NH2+]CC3)C[C@@H]21 ZINC001246712480 945469608 /nfs/dbraw/zinc/46/96/08/945469608.db2.gz DBPUCQZAHZCJBU-AEGPPILISA-N 1 3 310.442 0.347 20 0 DCADHO O=C(C[C@@H]1COC[C@H]2CN([C@H]3CCC[NH2+]C3)C[C@H]21)N1CCCC1 ZINC001246712510 945470904 /nfs/dbraw/zinc/47/09/04/945470904.db2.gz VXFVMJPMUQAKJF-NCOADZHNSA-N 1 3 321.465 0.945 20 0 DCADHO C[C@H]1C[C@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)CC[NH2+]1 ZINC001246745965 945480698 /nfs/dbraw/zinc/48/06/98/945480698.db2.gz QHJDFTHJNLUKAL-DZGCQCFKSA-N 1 3 319.453 0.651 20 0 DCADHO C[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)CC[NH2+]C[C@H]1O ZINC001247826603 945576211 /nfs/dbraw/zinc/57/62/11/945576211.db2.gz HLAOJCACIUYHKW-CZUORRHYSA-N 1 3 315.377 0.389 20 0 DCADHO Cn1cc2cccc(-c3noc(C45CNCC4C[NH2+]C5)n3)c2n1 ZINC001247852238 945579379 /nfs/dbraw/zinc/57/93/79/945579379.db2.gz QKJIQAFXXBSAHI-UHFFFAOYSA-N 1 3 310.361 0.684 20 0 DCADHO CCn1nncc1C[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001320448716 945882318 /nfs/dbraw/zinc/88/23/18/945882318.db2.gz XGAAWMRNJMHTAS-ZDUSSCGKSA-N 1 3 322.457 0.767 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@@H]3C2)CCC1 ZINC001410192167 946011718 /nfs/dbraw/zinc/01/17/18/946011718.db2.gz KOQUKZADADMAIG-SOUVJXGZSA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCO)C[C@@H]3C2)CCC1 ZINC001410192167 946011728 /nfs/dbraw/zinc/01/17/28/946011728.db2.gz KOQUKZADADMAIG-SOUVJXGZSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001321063565 946149893 /nfs/dbraw/zinc/14/98/93/946149893.db2.gz HQVXPKQPDDKPAF-GMOCUTOCSA-N 1 3 322.453 0.067 20 0 DCADHO O[C@@H]1COCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254049503 946225640 /nfs/dbraw/zinc/22/56/40/946225640.db2.gz GCQZERGOCWCMEY-IAGOWNOFSA-N 1 3 320.433 0.753 20 0 DCADHO CCOC(=O)C(C)(C)c1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164798 946324769 /nfs/dbraw/zinc/32/47/69/946324769.db2.gz VZUDXQPJJGHTPM-UHFFFAOYSA-N 1 3 311.430 0.837 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001273269215 946376457 /nfs/dbraw/zinc/37/64/57/946376457.db2.gz XPHHYYFRXZFIHA-UONOGXRCSA-N 1 3 301.406 0.647 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001273269215 946376466 /nfs/dbraw/zinc/37/64/66/946376466.db2.gz XPHHYYFRXZFIHA-UONOGXRCSA-N 1 3 301.406 0.647 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCc1cccc(C(N)=O)c1 ZINC001410441859 946380451 /nfs/dbraw/zinc/38/04/51/946380451.db2.gz STSLLBRLKATWKP-ZDUSSCGKSA-N 1 3 320.437 0.674 20 0 DCADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCN(CC[NH3+])CC1)C2 ZINC001255185787 946477900 /nfs/dbraw/zinc/47/79/00/946477900.db2.gz PPDGLVLTCGRTEY-QDMKHBRRSA-N 1 3 310.442 0.715 20 0 DCADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCc1ccnn1C ZINC001410503781 946494486 /nfs/dbraw/zinc/49/44/86/946494486.db2.gz VMYCWVLZQMMDFA-CYBMUJFWSA-N 1 3 305.426 0.452 20 0 DCADHO CN1CC[C@H](N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001255431506 946504818 /nfs/dbraw/zinc/50/48/18/946504818.db2.gz KNTSYJBFVFENRH-LBPRGKRZSA-N 1 3 321.425 0.028 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001256779467 946660121 /nfs/dbraw/zinc/66/01/21/946660121.db2.gz KQFJNHHBZDQCIQ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001257440434 946736415 /nfs/dbraw/zinc/73/64/15/946736415.db2.gz PBZPTJDUKUSZIA-HNNXBMFYSA-N 1 3 310.486 0.955 20 0 DCADHO CC[C@H](C(=O)NCC1(NC(=O)C2(C[NH+](C)C)CC2)CC1)N(C)C ZINC001410753813 946892218 /nfs/dbraw/zinc/89/22/18/946892218.db2.gz NWPSULVINAIAGJ-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001410870733 947060150 /nfs/dbraw/zinc/06/01/50/947060150.db2.gz UGFALTPKZVGSMV-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001410912905 947114658 /nfs/dbraw/zinc/11/46/58/947114658.db2.gz BBYMVHGRXJBOMN-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C(C)(C)C ZINC001411212090 947493285 /nfs/dbraw/zinc/49/32/85/947493285.db2.gz AJIVMDFSYHAAOD-LBPRGKRZSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262064281 947545382 /nfs/dbraw/zinc/54/53/82/947545382.db2.gz WMCUOUBJGFFWHZ-BARDWOONSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001411282304 947582254 /nfs/dbraw/zinc/58/22/54/947582254.db2.gz FGVFPIGQBNEJBD-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC001325356294 947766756 /nfs/dbraw/zinc/76/67/56/947766756.db2.gz OCFKGYYNTPSMDI-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC001325386112 947774175 /nfs/dbraw/zinc/77/41/75/947774175.db2.gz PATWANUDJNRUET-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC001325386115 947774617 /nfs/dbraw/zinc/77/46/17/947774617.db2.gz PATWANUDJNRUET-MCIONIFRSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]([NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C)C(N)=O ZINC001179580356 947876038 /nfs/dbraw/zinc/87/60/38/947876038.db2.gz DVCCDIMQFCEPQU-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001488192309 948597303 /nfs/dbraw/zinc/59/73/03/948597303.db2.gz DVVHDMHPPZAPMK-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CC(N)=O ZINC001263960514 948813760 /nfs/dbraw/zinc/81/37/60/948813760.db2.gz JCPRQMJTAHJJGU-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CN1CCOCC1)C[N@@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC001364381520 949155670 /nfs/dbraw/zinc/15/56/70/949155670.db2.gz LRRQVGYJYUBEJZ-CVEARBPZSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@H](CN1CCOCC1)C[N@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC001364381520 949155674 /nfs/dbraw/zinc/15/56/74/949155674.db2.gz LRRQVGYJYUBEJZ-CVEARBPZSA-N 1 3 313.486 0.732 20 0 DCADHO CCc1nc([C@H](C)N[C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001488769707 949163874 /nfs/dbraw/zinc/16/38/74/949163874.db2.gz AYVSPIIVVKFAFA-RWMBFGLXSA-N 1 3 322.457 0.864 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001488857799 949271301 /nfs/dbraw/zinc/27/13/01/949271301.db2.gz DZZJDNJGDMUQTK-YDHLFZDLSA-N 1 3 322.453 0.091 20 0 DCADHO CCN(CCCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCCNC1=O ZINC001265129440 949339169 /nfs/dbraw/zinc/33/91/69/949339169.db2.gz LFIAEOGFXLUGJV-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC[NH+](CCOCCO)CC1 ZINC001265199904 949431802 /nfs/dbraw/zinc/43/18/02/949431802.db2.gz FLMSTVLDDFNWDL-UHFFFAOYSA-N 1 3 313.442 0.014 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)[C@H](C)C1 ZINC001329675884 949772203 /nfs/dbraw/zinc/77/22/03/949772203.db2.gz LUKYGAKICMBKOO-HIFRSBDPSA-N 1 3 324.469 0.195 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)[C@H](C)C1 ZINC001329675884 949772208 /nfs/dbraw/zinc/77/22/08/949772208.db2.gz LUKYGAKICMBKOO-HIFRSBDPSA-N 1 3 324.469 0.195 20 0 DCADHO CN(CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCNC1=O ZINC001265865330 950059806 /nfs/dbraw/zinc/05/98/06/950059806.db2.gz YHNMVMHFVQJZQA-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCNC1=O ZINC001265865330 950059826 /nfs/dbraw/zinc/05/98/26/950059826.db2.gz YHNMVMHFVQJZQA-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC(=O)NC ZINC001490308825 950547141 /nfs/dbraw/zinc/54/71/41/950547141.db2.gz FVQJMVVKNMZSBZ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001280000562 950754550 /nfs/dbraw/zinc/75/45/50/950754550.db2.gz VZZXJMUPMQZQCE-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001490605305 950943077 /nfs/dbraw/zinc/94/30/77/950943077.db2.gz AVKMFSAXBNZAFF-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001490605305 950943094 /nfs/dbraw/zinc/94/30/94/950943094.db2.gz AVKMFSAXBNZAFF-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CNC/C=C\Cl)C2)CC1 ZINC001280629061 951004192 /nfs/dbraw/zinc/00/41/92/951004192.db2.gz KHFHEZQIWXDOBO-RJNRQISESA-N 1 3 315.845 0.898 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001280678556 951030556 /nfs/dbraw/zinc/03/05/56/951030556.db2.gz ALDKFRDBOBZLSZ-DSYXLKISSA-N 1 3 303.834 0.896 20 0 DCADHO C[N@H+](CCOCCO)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490774092 951099767 /nfs/dbraw/zinc/09/97/67/951099767.db2.gz FTDVOTGJHUEADC-AWEZNQCLSA-N 1 3 324.425 0.132 20 0 DCADHO C[N@@H+](CCOCCO)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490774092 951099780 /nfs/dbraw/zinc/09/97/80/951099780.db2.gz FTDVOTGJHUEADC-AWEZNQCLSA-N 1 3 324.425 0.132 20 0 DCADHO CC(=O)NCCN1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001273999112 951308380 /nfs/dbraw/zinc/30/83/80/951308380.db2.gz IPDGOMPKFLKHFL-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001274046798 951364627 /nfs/dbraw/zinc/36/46/27/951364627.db2.gz HZKCMYSFLWNIGN-KSSFIOAISA-N 1 3 317.433 0.919 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001274046798 951364638 /nfs/dbraw/zinc/36/46/38/951364638.db2.gz HZKCMYSFLWNIGN-KSSFIOAISA-N 1 3 317.433 0.919 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001365816299 951576855 /nfs/dbraw/zinc/57/68/55/951576855.db2.gz BZXZGFZLNXQPOD-LJISPDSOSA-N 1 3 324.469 0.288 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccncc3O)C[C@@H]21 ZINC001275167262 951981201 /nfs/dbraw/zinc/98/12/01/951981201.db2.gz ARUILJXHDAFDHW-HOCLYGCPSA-N 1 3 306.410 0.234 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCC1(C)C ZINC001333424162 952053987 /nfs/dbraw/zinc/05/39/87/952053987.db2.gz QPEGFZCOAQZIKE-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CON(C)C(=O)CC[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001335943862 952623952 /nfs/dbraw/zinc/62/39/52/952623952.db2.gz ZFHVCINCEOMZEY-ZIAGYGMSSA-N 1 3 301.431 0.875 20 0 DCADHO CN(C)CCN1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC001412308651 952743129 /nfs/dbraw/zinc/74/31/29/952743129.db2.gz JMEDKHVMOBXYIC-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]2CC1 ZINC001276145200 952942879 /nfs/dbraw/zinc/94/28/79/952942879.db2.gz YOFPGZZDGSARFX-GASCZTMLSA-N 1 3 319.453 0.652 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cncn3C)C[C@H]2CC1 ZINC001276145200 952942881 /nfs/dbraw/zinc/94/28/81/952942881.db2.gz YOFPGZZDGSARFX-GASCZTMLSA-N 1 3 319.453 0.652 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC(C)(C)C[NH3+] ZINC001340206066 953154359 /nfs/dbraw/zinc/15/43/59/953154359.db2.gz PNKNPGUSUIMUNK-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)C[C@@H](C)O1 ZINC001340819938 953197123 /nfs/dbraw/zinc/19/71/23/953197123.db2.gz AYHBHYKAEHRWFH-AIANPOQGSA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001282013669 953445470 /nfs/dbraw/zinc/44/54/70/953445470.db2.gz IQYKPNSRKMRUKQ-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001366036487 953609237 /nfs/dbraw/zinc/60/92/37/953609237.db2.gz VZRPFKFUMMMQSS-HOCLYGCPSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C(=O)CN[C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001366061857 953635711 /nfs/dbraw/zinc/63/57/11/953635711.db2.gz LQDXBWMXTHZGAY-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001366134333 953725201 /nfs/dbraw/zinc/72/52/01/953725201.db2.gz VXLVVTIWOKVOLI-HDJSIYSDSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)OCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001282926543 953774844 /nfs/dbraw/zinc/77/48/44/953774844.db2.gz XZKXHDIJUKJUGD-DZGCQCFKSA-N 1 3 324.425 0.583 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001366169355 953774720 /nfs/dbraw/zinc/77/47/20/953774720.db2.gz OWUPQOPSIPTFLW-QLFBSQMISA-N 1 3 324.469 0.622 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C[NH2+]CC(C)C)CC1 ZINC001346056962 953793788 /nfs/dbraw/zinc/79/37/88/953793788.db2.gz WLDXZSZYIOAERY-UHFFFAOYSA-N 1 3 313.442 0.623 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366192348 953802612 /nfs/dbraw/zinc/80/26/12/953802612.db2.gz NPDLQCRZGPZAJL-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)CCC1 ZINC001346659692 953940718 /nfs/dbraw/zinc/94/07/18/953940718.db2.gz WOUHVJTUUWPVPR-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N(C)C1CC1 ZINC001366313986 954008653 /nfs/dbraw/zinc/00/86/53/954008653.db2.gz XMAWLKHZKHAHBL-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2n[nH]c(C)n2)C1 ZINC001366320484 954019552 /nfs/dbraw/zinc/01/95/52/954019552.db2.gz OXIVMZNTKYRHFW-OCCSQVGLSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2n[nH]c(C)n2)C1 ZINC001366320484 954019561 /nfs/dbraw/zinc/01/95/61/954019561.db2.gz OXIVMZNTKYRHFW-OCCSQVGLSA-N 1 3 322.457 0.829 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)NCC(=O)N(C)C)CC1 ZINC001366350583 954073826 /nfs/dbraw/zinc/07/38/26/954073826.db2.gz ACZFIFCJDLHFCO-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1)C(N)=O ZINC001366395388 954147920 /nfs/dbraw/zinc/14/79/20/954147920.db2.gz SCSAOWKQEDPTAS-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001366417528 954173198 /nfs/dbraw/zinc/17/31/98/954173198.db2.gz YKLLQHRFSDFWOE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccnn1C ZINC001366475963 954253353 /nfs/dbraw/zinc/25/33/53/954253353.db2.gz ONGQLEUEIIVPQL-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001366502692 954285964 /nfs/dbraw/zinc/28/59/64/954285964.db2.gz APYLOLKOHZFVPQ-ZFWWWQNUSA-N 1 3 322.453 0.710 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cnn(C)c1)N(C)C ZINC001366514078 954306069 /nfs/dbraw/zinc/30/60/69/954306069.db2.gz WXIICZQKSKQDTO-HIFRSBDPSA-N 1 3 309.458 0.991 20 0 DCADHO CN(CCCNC(=O)CN(C)C1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283569884 954457095 /nfs/dbraw/zinc/45/70/95/954457095.db2.gz NIUFDRJLAFYSRX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)CN(C)C1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283569884 954457098 /nfs/dbraw/zinc/45/70/98/954457098.db2.gz NIUFDRJLAFYSRX-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)C(=O)CN2CCCC2)C1 ZINC001283659305 954517252 /nfs/dbraw/zinc/51/72/52/954517252.db2.gz QQSZROKFZDIAEH-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)C(=O)CN2CCCC2)C1 ZINC001283659305 954517255 /nfs/dbraw/zinc/51/72/55/954517255.db2.gz QQSZROKFZDIAEH-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CCn1cncn1 ZINC001366640166 954570157 /nfs/dbraw/zinc/57/01/57/954570157.db2.gz UDKHLOXMDPOLTQ-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO CCN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CCn1cncn1 ZINC001366640166 954570163 /nfs/dbraw/zinc/57/01/63/954570163.db2.gz UDKHLOXMDPOLTQ-AWEZNQCLSA-N 1 3 308.430 0.058 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283928127 954722519 /nfs/dbraw/zinc/72/25/19/954722519.db2.gz QEFMMDYDFUDTAG-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nnc(CN[C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001446946702 1013127232 /nfs/dbraw/zinc/12/72/32/1013127232.db2.gz VYBJYUKRSVMHOW-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC)CC1 ZINC001366781974 954839827 /nfs/dbraw/zinc/83/98/27/954839827.db2.gz IPBLVIBFPCMDGZ-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366871768 954971144 /nfs/dbraw/zinc/97/11/44/954971144.db2.gz PAVSOUUONPQTNJ-ZIAGYGMSSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366871768 954971159 /nfs/dbraw/zinc/97/11/59/954971159.db2.gz PAVSOUUONPQTNJ-ZIAGYGMSSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001430115631 1013130720 /nfs/dbraw/zinc/13/07/20/1013130720.db2.gz JDQLLBBUKCYNLJ-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001430115631 1013130722 /nfs/dbraw/zinc/13/07/22/1013130722.db2.gz JDQLLBBUKCYNLJ-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCOCCNCCF)CC[N@@H+]1C ZINC001284874723 955283223 /nfs/dbraw/zinc/28/32/23/955283223.db2.gz NRFGRXYSLHQJDV-KBPBESRZSA-N 1 3 303.422 0.751 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N(C)CCOCCNCCF)CC[N@H+]1C ZINC001284874723 955283228 /nfs/dbraw/zinc/28/32/28/955283228.db2.gz NRFGRXYSLHQJDV-KBPBESRZSA-N 1 3 303.422 0.751 20 0 DCADHO C[C@H]1CCCC[C@@]1(C[NH2+]CC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001367200516 955454553 /nfs/dbraw/zinc/45/45/53/955454553.db2.gz XGDRINUAFAHGCA-GUYCJALGSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1)N(C)C ZINC001367325890 955649975 /nfs/dbraw/zinc/64/99/75/955649975.db2.gz ZTGRBJDVKWHHHW-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC001353234321 955988848 /nfs/dbraw/zinc/98/88/48/955988848.db2.gz IIHXCKFARRWDNX-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001353279093 955998494 /nfs/dbraw/zinc/99/84/94/955998494.db2.gz TVKBRKSHWOSRRU-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CCCC[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001480531205 956132202 /nfs/dbraw/zinc/13/22/02/956132202.db2.gz WBSARTOPFAYLNH-GXTWGEPZSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001367381419 957745535 /nfs/dbraw/zinc/74/55/35/957745535.db2.gz YRUFKLDWSVHLAL-LBPRGKRZSA-N 1 3 310.446 0.816 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@H](C)C1 ZINC001367438333 957807912 /nfs/dbraw/zinc/80/79/12/957807912.db2.gz IQXNRVCEMQKUGW-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C1CCCCC1)N(C)C ZINC001367449272 957818885 /nfs/dbraw/zinc/81/88/85/957818885.db2.gz ZABVNQNLLJKBEW-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367514825 957940572 /nfs/dbraw/zinc/94/05/72/957940572.db2.gz MUNBNPUUXFAEQU-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001367514825 957940582 /nfs/dbraw/zinc/94/05/82/957940582.db2.gz MUNBNPUUXFAEQU-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1ccc(C)nn1 ZINC001367673539 958332853 /nfs/dbraw/zinc/33/28/53/958332853.db2.gz TVFQYOTWKKTWNW-VXGBXAGGSA-N 1 3 307.398 0.408 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367685532 958362155 /nfs/dbraw/zinc/36/21/55/958362155.db2.gz GRYKHEOGQXMIDI-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367685532 958362173 /nfs/dbraw/zinc/36/21/73/958362173.db2.gz GRYKHEOGQXMIDI-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C2CCC2)C1=O)NC(=O)CCC[NH+](C)C ZINC001367691215 958375306 /nfs/dbraw/zinc/37/53/06/958375306.db2.gz KQRJEMUVXBXXJY-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N1CCCCC1)NC(=O)CC[NH+](C)C ZINC001367695693 958388857 /nfs/dbraw/zinc/38/88/57/958388857.db2.gz LFUWMOJEYYHWMW-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)COC1CC[NH+](C)CC1 ZINC001367703276 958407480 /nfs/dbraw/zinc/40/74/80/958407480.db2.gz GGINGMGSJKHZEE-CYBMUJFWSA-N 1 3 323.441 0.125 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298412103 958589301 /nfs/dbraw/zinc/58/93/01/958589301.db2.gz BQAPJYTVRBVZBY-OOPCZODUSA-N 1 3 319.409 0.001 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001298412103 958589314 /nfs/dbraw/zinc/58/93/14/958589314.db2.gz BQAPJYTVRBVZBY-OOPCZODUSA-N 1 3 319.409 0.001 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001362071665 958689946 /nfs/dbraw/zinc/68/99/46/958689946.db2.gz HFLRAOGUPOGOBH-JKSUJKDBSA-N 1 3 312.502 0.964 20 0 DCADHO CN1CC[C@@H](NC[C@@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)C1=O ZINC001367910656 958842716 /nfs/dbraw/zinc/84/27/16/958842716.db2.gz JIGCCDGCFBSXBF-HUUCEWRRSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccnn1C)C1CC1)N(C)C ZINC001367918784 958865368 /nfs/dbraw/zinc/86/53/68/958865368.db2.gz IAKYYFVQLORMLO-LSDHHAIUSA-N 1 3 307.442 0.745 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCN(C)C1=O)C1CC1 ZINC001367924469 958872436 /nfs/dbraw/zinc/87/24/36/958872436.db2.gz WJNNFEBAIIFNLX-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N[C@@H](C)C(N)=O ZINC001376822925 958921314 /nfs/dbraw/zinc/92/13/14/958921314.db2.gz OTLOYVFZWGXJBY-RYUDHWBXSA-N 1 3 306.410 0.330 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001376822921 958923318 /nfs/dbraw/zinc/92/33/18/958923318.db2.gz OTLOYVFZWGXJBY-NWDGAFQWSA-N 1 3 306.410 0.330 20 0 DCADHO CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376919318 959136067 /nfs/dbraw/zinc/13/60/67/959136067.db2.gz YQXWCVPWQCUNAI-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376952891 959196709 /nfs/dbraw/zinc/19/67/09/959196709.db2.gz GDVQNULBXSSLHR-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)NCC1CC1 ZINC001376962971 959211233 /nfs/dbraw/zinc/21/12/33/959211233.db2.gz YRQSGZDJBFBPSW-HNNXBMFYSA-N 1 3 322.453 0.047 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001377178518 959634734 /nfs/dbraw/zinc/63/47/34/959634734.db2.gz NLAVMVRYVVQJKA-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001377178518 959634747 /nfs/dbraw/zinc/63/47/47/959634747.db2.gz NLAVMVRYVVQJKA-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001368346124 959706300 /nfs/dbraw/zinc/70/63/00/959706300.db2.gz FDUBCBXYBAXWBA-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NCC(N)=O ZINC001377270017 959830660 /nfs/dbraw/zinc/83/06/60/959830660.db2.gz DOXFDJCXXPEKRN-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001368428896 959848093 /nfs/dbraw/zinc/84/80/93/959848093.db2.gz SCKFOLLSLRWHCN-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1)[NH+](C)C ZINC001368522768 959978694 /nfs/dbraw/zinc/97/86/94/959978694.db2.gz FOWISLCDULYCLC-VNHYZAJKSA-N 1 3 322.457 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001368533411 959991367 /nfs/dbraw/zinc/99/13/67/959991367.db2.gz FJHWDIDJIJLYLO-APIJFGDWSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N1CCCCC1 ZINC001368658084 960130631 /nfs/dbraw/zinc/13/06/31/960130631.db2.gz RZACBNSLXXPVFN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001368668960 960140517 /nfs/dbraw/zinc/14/05/17/960140517.db2.gz RDHPQQJNKXETHN-MCIONIFRSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN1CCCC1)C(N)=O ZINC001368676456 960149362 /nfs/dbraw/zinc/14/93/62/960149362.db2.gz XXRVPXQHWAZQAT-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([N@H+](CCO)CC2CC2)C1 ZINC001368730070 960204435 /nfs/dbraw/zinc/20/44/35/960204435.db2.gz MIWMKQSETROAGP-OAHLLOKOSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([N@@H+](CCO)CC2CC2)C1 ZINC001368730070 960204444 /nfs/dbraw/zinc/20/44/44/960204444.db2.gz MIWMKQSETROAGP-OAHLLOKOSA-N 1 3 306.410 0.648 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001377609333 960352259 /nfs/dbraw/zinc/35/22/59/960352259.db2.gz NEWZARWFHNOULU-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1cncc1CN1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001377718598 960498037 /nfs/dbraw/zinc/49/80/37/960498037.db2.gz JFPNWNCISUKSRP-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1cncc1CN1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001377718598 960498048 /nfs/dbraw/zinc/49/80/48/960498048.db2.gz JFPNWNCISUKSRP-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001378286628 960501727 /nfs/dbraw/zinc/50/17/27/960501727.db2.gz JCPATANMTJCVTR-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001378286628 960501743 /nfs/dbraw/zinc/50/17/43/960501743.db2.gz JCPATANMTJCVTR-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)CC ZINC001378305627 960545352 /nfs/dbraw/zinc/54/53/52/960545352.db2.gz UUSOMIAMJDEXOA-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)C ZINC001378312908 960564747 /nfs/dbraw/zinc/56/47/47/960564747.db2.gz BWSJWUXLFIIVHP-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)C ZINC001378312908 960564760 /nfs/dbraw/zinc/56/47/60/960564760.db2.gz BWSJWUXLFIIVHP-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001377795458 960679755 /nfs/dbraw/zinc/67/97/55/960679755.db2.gz IRSYAMSTKRKKRS-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)CN(C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001377795458 960679772 /nfs/dbraw/zinc/67/97/72/960679772.db2.gz IRSYAMSTKRKKRS-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001378424363 960738201 /nfs/dbraw/zinc/73/82/01/960738201.db2.gz HYMPIRFTGKABAM-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC(C)C ZINC001378506790 960895022 /nfs/dbraw/zinc/89/50/22/960895022.db2.gz GEZVNWSPKNIDFA-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC(C)C ZINC001378506790 960895044 /nfs/dbraw/zinc/89/50/44/960895044.db2.gz GEZVNWSPKNIDFA-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549033480 1013237691 /nfs/dbraw/zinc/23/76/91/1013237691.db2.gz MPDMFMUSDBWZJG-RBSFLKMASA-N 1 3 305.426 0.548 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001378711776 961328906 /nfs/dbraw/zinc/32/89/06/961328906.db2.gz SKCKVEBBBRBJPK-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1)N(C)C ZINC001447092474 1013251044 /nfs/dbraw/zinc/25/10/44/1013251044.db2.gz KFFOTHQYNYCDCY-UMVBOHGHSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001378781649 961466027 /nfs/dbraw/zinc/46/60/27/961466027.db2.gz QQKQJGCCQTZXBT-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001378813512 961525514 /nfs/dbraw/zinc/52/55/14/961525514.db2.gz PTTSURMMOATIIU-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nocc1CNCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001363608799 961538545 /nfs/dbraw/zinc/53/85/45/961538545.db2.gz JODKEUKGPRXBGN-UHFFFAOYSA-N 1 3 308.426 0.869 20 0 DCADHO Cn1cc(CN[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)cn1 ZINC001379709316 961826624 /nfs/dbraw/zinc/82/66/24/961826624.db2.gz FMGUVOCFVPEOII-AWEZNQCLSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001378999763 961838342 /nfs/dbraw/zinc/83/83/42/961838342.db2.gz NQBOKSKMFYWTQJ-OCCSQVGLSA-N 1 3 300.447 0.049 20 0 DCADHO CC(C)[C@@H](C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001379085663 962060230 /nfs/dbraw/zinc/06/02/30/962060230.db2.gz DKKDYFZCYNUXLD-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001379870835 962186237 /nfs/dbraw/zinc/18/62/37/962186237.db2.gz DYLRWOXZWOYPIF-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001379155806 962215804 /nfs/dbraw/zinc/21/58/04/962215804.db2.gz OYTNRSMBINXMIQ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001379917881 962294724 /nfs/dbraw/zinc/29/47/24/962294724.db2.gz MWGVHBHWFDJZGN-KGLIPLIRSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N(C)CC1CC1 ZINC001379200699 962346217 /nfs/dbraw/zinc/34/62/17/962346217.db2.gz TZMSTOAAMBYXIR-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001379210357 962374396 /nfs/dbraw/zinc/37/43/96/962374396.db2.gz ZGQGHGYLEFADPA-INIZCTEOSA-N 1 3 323.412 0.877 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001380396334 963154893 /nfs/dbraw/zinc/15/48/93/963154893.db2.gz DWYFDYHQNKPAFL-DOTOQJQBSA-N 1 3 319.453 0.843 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001379539917 963156486 /nfs/dbraw/zinc/15/64/86/963156486.db2.gz IQKDGYCMTUNOPB-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]CC(=O)N(C)C)CCC2)C1 ZINC001380882314 963654523 /nfs/dbraw/zinc/65/45/23/963654523.db2.gz RAYXNPNVVSJYJM-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001380966543 963727650 /nfs/dbraw/zinc/72/76/50/963727650.db2.gz RPXDKGYXTWVKQE-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001380966543 963727657 /nfs/dbraw/zinc/72/76/57/963727657.db2.gz RPXDKGYXTWVKQE-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001381269214 963932461 /nfs/dbraw/zinc/93/24/61/963932461.db2.gz KOYWMPOCZXVLGP-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001447540910 1013462439 /nfs/dbraw/zinc/46/24/39/1013462439.db2.gz NSIMNZMUZRCKLN-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001447540910 1013462442 /nfs/dbraw/zinc/46/24/42/1013462442.db2.gz NSIMNZMUZRCKLN-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001447539896 1013463071 /nfs/dbraw/zinc/46/30/71/1013463071.db2.gz PGCHLXPROPQZTJ-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001447539896 1013463076 /nfs/dbraw/zinc/46/30/76/1013463076.db2.gz PGCHLXPROPQZTJ-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001430431875 1013464215 /nfs/dbraw/zinc/46/42/15/1013464215.db2.gz FAPTYHCPTQFAHF-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001430431875 1013464219 /nfs/dbraw/zinc/46/42/19/1013464219.db2.gz FAPTYHCPTQFAHF-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001375178070 964102133 /nfs/dbraw/zinc/10/21/33/964102133.db2.gz RAVRHXBOHVNGMZ-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001373699720 964495301 /nfs/dbraw/zinc/49/53/01/964495301.db2.gz SCDUYBJZTANGDY-ZDUSSCGKSA-N 1 3 314.474 0.632 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001373699720 964495307 /nfs/dbraw/zinc/49/53/07/964495307.db2.gz SCDUYBJZTANGDY-ZDUSSCGKSA-N 1 3 314.474 0.632 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cnn(C)c1 ZINC001373750602 964576263 /nfs/dbraw/zinc/57/62/63/964576263.db2.gz CFGYCAXLJLBJAJ-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cnn(C)c1 ZINC001373750602 964576267 /nfs/dbraw/zinc/57/62/67/964576267.db2.gz CFGYCAXLJLBJAJ-VHDGCEQUSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCNC1=O ZINC001369256056 964608428 /nfs/dbraw/zinc/60/84/28/964608428.db2.gz ADXFXUVJOREICU-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001369271213 964628821 /nfs/dbraw/zinc/62/88/21/964628821.db2.gz UPPIAMFOOMCELX-IHRRRGAJSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001369271213 964628829 /nfs/dbraw/zinc/62/88/29/964628829.db2.gz UPPIAMFOOMCELX-IHRRRGAJSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@H](C)C(=O)NC)CCCC1)N(C)C ZINC001373859674 964723516 /nfs/dbraw/zinc/72/35/16/964723516.db2.gz FFGQHMSPAXXSTP-CHWSQXEVSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375711350 964748058 /nfs/dbraw/zinc/74/80/58/964748058.db2.gz KPNAXBYGRQEVIP-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375711350 964748066 /nfs/dbraw/zinc/74/80/66/964748066.db2.gz KPNAXBYGRQEVIP-ZIAGYGMSSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001375748906 964790729 /nfs/dbraw/zinc/79/07/29/964790729.db2.gz VYWGIOZHSQLLEZ-RYUDHWBXSA-N 1 3 307.398 0.010 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001373962870 964826001 /nfs/dbraw/zinc/82/60/01/964826001.db2.gz ABDZQYHWQKILHZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001373962870 964826009 /nfs/dbraw/zinc/82/60/09/964826009.db2.gz ABDZQYHWQKILHZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccccc1C)N(C)C ZINC001369386208 964872158 /nfs/dbraw/zinc/87/21/58/964872158.db2.gz WUVLQVPCGCOZTD-JKSUJKDBSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369395001 964891816 /nfs/dbraw/zinc/89/18/16/964891816.db2.gz CCFXZYSXVBKRDU-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374022503 964901140 /nfs/dbraw/zinc/90/11/40/964901140.db2.gz RJCXXIDRPPSTRE-MGPQQGTHSA-N 1 3 307.442 0.602 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374022503 964901145 /nfs/dbraw/zinc/90/11/45/964901145.db2.gz RJCXXIDRPPSTRE-MGPQQGTHSA-N 1 3 307.442 0.602 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1 ZINC001374068128 964970455 /nfs/dbraw/zinc/97/04/55/964970455.db2.gz GMUQDSCYYSXGIC-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001369443521 964983922 /nfs/dbraw/zinc/98/39/22/964983922.db2.gz UAYUNXRGNDTNHN-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001369479074 965047027 /nfs/dbraw/zinc/04/70/27/965047027.db2.gz ZQTADQJDANZCET-SWLSCSKDSA-N 1 3 303.422 0.628 20 0 DCADHO Cc1cc(CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C)sn1 ZINC001369481715 965051158 /nfs/dbraw/zinc/05/11/58/965051158.db2.gz HCVLXEZIRDFMMH-LBPRGKRZSA-N 1 3 314.455 0.312 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1)[NH+](C)C ZINC001374242978 965175443 /nfs/dbraw/zinc/17/54/43/965175443.db2.gz JVLVLOFEZHHPFF-ZFWWWQNUSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1)OC ZINC001376094324 965190496 /nfs/dbraw/zinc/19/04/96/965190496.db2.gz KXSYJBXLBAKWEQ-GDBMZVCRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1)OC ZINC001376094324 965190499 /nfs/dbraw/zinc/19/04/99/965190499.db2.gz KXSYJBXLBAKWEQ-GDBMZVCRSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374310287 965262419 /nfs/dbraw/zinc/26/24/19/965262419.db2.gz DIUFXEXBPUPUJJ-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1cncn1C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374310287 965262430 /nfs/dbraw/zinc/26/24/30/965262430.db2.gz DIUFXEXBPUPUJJ-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO Cc1nc(CNC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)n[nH]1 ZINC001374392582 965336342 /nfs/dbraw/zinc/33/63/42/965336342.db2.gz CELSOCHSUFNBSL-TZMCWYRMSA-N 1 3 322.457 0.782 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cnn(C)c1)C(C)C)N(C)C ZINC001374443196 965396042 /nfs/dbraw/zinc/39/60/42/965396042.db2.gz HZIAISKYPHPGQV-HUUCEWRRSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001376397970 965611474 /nfs/dbraw/zinc/61/14/74/965611474.db2.gz GRECXLXBVFOSTB-YDHLFZDLSA-N 1 3 307.442 0.743 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)N(C)C ZINC001376401012 965613740 /nfs/dbraw/zinc/61/37/40/965613740.db2.gz MWZBMVLQKPRBJA-XDQVBPFNSA-N 1 3 310.442 0.040 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001376482109 965718774 /nfs/dbraw/zinc/71/87/74/965718774.db2.gz ZWSJZCIHZDJWBP-TUVASFSCSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC1CC1)N1CCCCC1 ZINC001374686561 965758750 /nfs/dbraw/zinc/75/87/50/965758750.db2.gz VAMFJASOZPKGDR-HOTGVXAUSA-N 1 3 311.470 0.974 20 0 DCADHO C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001374702705 965784034 /nfs/dbraw/zinc/78/40/34/965784034.db2.gz KMBJPTSBYKGHQV-STQMWFEESA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001374705348 965786201 /nfs/dbraw/zinc/78/62/01/965786201.db2.gz PRODPKSYBFDWLG-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001374711587 965798082 /nfs/dbraw/zinc/79/80/82/965798082.db2.gz GWVZQXMJZWZCJE-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001374711587 965798095 /nfs/dbraw/zinc/79/80/95/965798095.db2.gz GWVZQXMJZWZCJE-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)CN(C)C1CCC1 ZINC001430574406 1013599716 /nfs/dbraw/zinc/59/97/16/1013599716.db2.gz DNGFLMLDDDTLCP-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NC(=O)CN(C)C1CCC1 ZINC001430574406 1013599724 /nfs/dbraw/zinc/59/97/24/1013599724.db2.gz DNGFLMLDDDTLCP-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001374729317 965825497 /nfs/dbraw/zinc/82/54/97/965825497.db2.gz WFCLPUAUWHMCDC-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N1CCC1 ZINC001376605280 965882076 /nfs/dbraw/zinc/88/20/76/965882076.db2.gz BRYSOPWZAZTAGU-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)N1CCC1 ZINC001376605280 965882084 /nfs/dbraw/zinc/88/20/84/965882084.db2.gz BRYSOPWZAZTAGU-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(N)=O ZINC001376612830 965893043 /nfs/dbraw/zinc/89/30/43/965893043.db2.gz QVKSJCQFYUWWNF-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(N)=O ZINC001376612830 965893048 /nfs/dbraw/zinc/89/30/48/965893048.db2.gz QVKSJCQFYUWWNF-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO C[NH+](C)CCC(=O)NCc1cccc2c1CCN(CCCO)C2 ZINC001376676497 965972082 /nfs/dbraw/zinc/97/20/82/965972082.db2.gz SONFWEBXTSDWFM-UHFFFAOYSA-N 1 3 319.449 0.995 20 0 DCADHO COc1cc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)ccn1 ZINC001370396813 966082007 /nfs/dbraw/zinc/08/20/07/966082007.db2.gz OTQQROCMNXGXLY-AWEZNQCLSA-N 1 3 306.410 0.732 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001376749636 966115090 /nfs/dbraw/zinc/11/50/90/966115090.db2.gz NLNFOTRDFSWQAZ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001370567398 966246665 /nfs/dbraw/zinc/24/66/65/966246665.db2.gz ZHHHOUSOMVJHHK-SHTZXODSSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)C1=O ZINC001371205383 966811327 /nfs/dbraw/zinc/81/13/27/966811327.db2.gz SNTHYWPDGUGTIV-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001371204408 966812450 /nfs/dbraw/zinc/81/24/50/966812450.db2.gz RIFREBWGGZHKSN-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001497054103 1017789964 /nfs/dbraw/zinc/78/99/64/1017789964.db2.gz NMODOTMRZGXNMQ-WFASDCNBSA-N 1 3 303.422 0.676 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001371607823 967168310 /nfs/dbraw/zinc/16/83/10/967168310.db2.gz QQLGKOCQACDHOR-CZUORRHYSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001382303376 967187476 /nfs/dbraw/zinc/18/74/76/967187476.db2.gz LMWKRQVYFSZESP-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001382306293 967192033 /nfs/dbraw/zinc/19/20/33/967192033.db2.gz BHPHXJMDEBLFHY-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1cnc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCN2C)cn1 ZINC001371735120 967294638 /nfs/dbraw/zinc/29/46/38/967294638.db2.gz RNPITZHHRLDYIJ-DOMZBBRYSA-N 1 3 305.426 0.864 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)[C@H]1CCCN1C ZINC001371818305 967365281 /nfs/dbraw/zinc/36/52/81/967365281.db2.gz PCYTZUDSOAOMFA-QLFBSQMISA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CC(NCc2ccnn2C)C1 ZINC001382588750 967522809 /nfs/dbraw/zinc/52/28/09/967522809.db2.gz JNUAVQGIXFYXLQ-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(NCc2ccnn2C)C1 ZINC001382588750 967522814 /nfs/dbraw/zinc/52/28/14/967522814.db2.gz JNUAVQGIXFYXLQ-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO CN(CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001372022886 967571523 /nfs/dbraw/zinc/57/15/23/967571523.db2.gz HCRVYMYPRIWLFT-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001372022886 967571528 /nfs/dbraw/zinc/57/15/28/967571528.db2.gz HCRVYMYPRIWLFT-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001372509500 968062630 /nfs/dbraw/zinc/06/26/30/968062630.db2.gz XCSYLQPSZSRHPZ-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001372509500 968062640 /nfs/dbraw/zinc/06/26/40/968062640.db2.gz XCSYLQPSZSRHPZ-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCN1C ZINC001373527670 969189522 /nfs/dbraw/zinc/18/95/22/969189522.db2.gz ZCPJMZRJDXZAAC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCCN1C ZINC001373527670 969189528 /nfs/dbraw/zinc/18/95/28/969189528.db2.gz ZCPJMZRJDXZAAC-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448355692 1013884056 /nfs/dbraw/zinc/88/40/56/1013884056.db2.gz MSQXGBGJQDCDSN-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001448773655 1014033758 /nfs/dbraw/zinc/03/37/58/1014033758.db2.gz IEZLNGDWZBZPBQ-AWEZNQCLSA-N 1 3 309.458 0.739 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCc2ccccc2)C1 ZINC001448942610 1014103136 /nfs/dbraw/zinc/10/31/36/1014103136.db2.gz GMLNEZUIWABICR-HZPDHXFCSA-N 1 3 305.422 0.595 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCc2ccccc2)C1 ZINC001448942610 1014103137 /nfs/dbraw/zinc/10/31/37/1014103137.db2.gz GMLNEZUIWABICR-HZPDHXFCSA-N 1 3 305.422 0.595 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)[C@H]1C ZINC001448987969 1014120731 /nfs/dbraw/zinc/12/07/31/1014120731.db2.gz YYJJSVVCVWNEFR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CC[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549507376 1014276376 /nfs/dbraw/zinc/27/63/76/1014276376.db2.gz LKWQSBXSZHJTMV-ZFWWWQNUSA-N 1 3 320.441 0.680 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)CC[NH+]1CCCCC1)N(C)C ZINC001522691193 1014302326 /nfs/dbraw/zinc/30/23/26/1014302326.db2.gz SJFNKGQEFPFRCV-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@H](N(C)C)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001549673542 1014402656 /nfs/dbraw/zinc/40/26/56/1014402656.db2.gz PEWHZZNCEOWLOT-MELADBBJSA-N 1 3 308.430 0.178 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001449405235 1014462318 /nfs/dbraw/zinc/46/23/18/1014462318.db2.gz BUXPFSOPTJJBPI-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001522938223 1014480755 /nfs/dbraw/zinc/48/07/55/1014480755.db2.gz KXEXNGCGXISILD-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001522938223 1014480761 /nfs/dbraw/zinc/48/07/61/1014480761.db2.gz KXEXNGCGXISILD-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCN(CCC(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001550108385 1014575174 /nfs/dbraw/zinc/57/51/74/1014575174.db2.gz QAHXQIVHSRPTOF-MQVJKMGUSA-N 1 3 308.470 0.661 20 0 DCADHO C[C@@H]([NH3+])CCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550199334 1014622395 /nfs/dbraw/zinc/62/23/95/1014622395.db2.gz AYUXFONLNZGVMS-CYBMUJFWSA-N 1 3 310.442 0.446 20 0 DCADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCCN1CCO ZINC001550287595 1014653503 /nfs/dbraw/zinc/65/35/03/1014653503.db2.gz GBQOESSMHSZLMB-WTXIUTQJSA-N 1 3 324.469 0.663 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001530453234 1014756611 /nfs/dbraw/zinc/75/66/11/1014756611.db2.gz GTKFGWLAYQALSB-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001449925865 1014789337 /nfs/dbraw/zinc/78/93/37/1014789337.db2.gz QLHMYPCHPMAINH-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449925865 1014789349 /nfs/dbraw/zinc/78/93/49/1014789349.db2.gz QLHMYPCHPMAINH-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001550719343 1014813780 /nfs/dbraw/zinc/81/37/80/1014813780.db2.gz FVWCCJWRTYSKMR-YHUYYLMFSA-N 1 3 301.390 0.509 20 0 DCADHO Cc1noc([C@@H]2OCC[C@H]2NC[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC001550702608 1014810274 /nfs/dbraw/zinc/81/02/74/1014810274.db2.gz UEUGPVFFTCNNCU-BFHYXJOUSA-N 1 3 322.409 0.956 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550763301 1014853970 /nfs/dbraw/zinc/85/39/70/1014853970.db2.gz LDETWQSJCWBGQD-CABCVRRESA-N 1 3 302.422 0.998 20 0 DCADHO C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001383318382 984769517 /nfs/dbraw/zinc/76/95/17/984769517.db2.gz GDDQLYJPHVZOBI-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001383374175 984790128 /nfs/dbraw/zinc/79/01/28/984790128.db2.gz GMEXFGZXRSYGDL-APIJFGDWSA-N 1 3 324.469 0.099 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@@]23C[C@]2(C(F)(F)F)C[NH2+]C3)CC[C@H]1F ZINC001551543390 1015133669 /nfs/dbraw/zinc/13/36/69/1015133669.db2.gz TTWDGEDTMWRDRY-LSKIRQOJSA-N 1 3 324.322 0.609 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@H]1CCCCN1CCO)CC2 ZINC001551569576 1015140863 /nfs/dbraw/zinc/14/08/63/1015140863.db2.gz LURVTKNYJQHVKY-GYMHETDLSA-N 1 3 324.469 0.792 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001531343757 1015146487 /nfs/dbraw/zinc/14/64/87/1015146487.db2.gz CPLPTWGFGMMCHY-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](CC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001531343757 1015146492 /nfs/dbraw/zinc/14/64/92/1015146492.db2.gz CPLPTWGFGMMCHY-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001384539123 985649318 /nfs/dbraw/zinc/64/93/18/985649318.db2.gz ZEVAUZHBDJETAY-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001385313053 986242171 /nfs/dbraw/zinc/24/21/71/986242171.db2.gz HEUSUFKDUBRTRF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385313053 986242184 /nfs/dbraw/zinc/24/21/84/986242184.db2.gz HEUSUFKDUBRTRF-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386005834 986749418 /nfs/dbraw/zinc/74/94/18/986749418.db2.gz DXGNPVCWCQOVFL-XQLPTFJDSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386005834 986749427 /nfs/dbraw/zinc/74/94/27/986749427.db2.gz DXGNPVCWCQOVFL-XQLPTFJDSA-N 1 3 324.469 0.288 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001386317227 987067933 /nfs/dbraw/zinc/06/79/33/987067933.db2.gz CEWNUEBCGLCWMD-OKILXGFUSA-N 1 3 322.453 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001386933891 987512738 /nfs/dbraw/zinc/51/27/38/987512738.db2.gz HRCPLKLAOXKMGW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001386933891 987512746 /nfs/dbraw/zinc/51/27/46/987512746.db2.gz HRCPLKLAOXKMGW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001387108715 987638848 /nfs/dbraw/zinc/63/88/48/987638848.db2.gz IWQOABCRNPTRJU-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001387960766 988331811 /nfs/dbraw/zinc/33/18/11/988331811.db2.gz VZRDPAOWIJGYKU-KKUMJFAQSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001387960766 988331821 /nfs/dbraw/zinc/33/18/21/988331821.db2.gz VZRDPAOWIJGYKU-KKUMJFAQSA-N 1 3 322.453 0.092 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001388551792 988400421 /nfs/dbraw/zinc/40/04/21/988400421.db2.gz SESLQEYBUQKUME-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001388757419 988563118 /nfs/dbraw/zinc/56/31/18/988563118.db2.gz FEGCRICSUKSLSP-RRFJBIMHSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001389316693 989109583 /nfs/dbraw/zinc/10/95/83/989109583.db2.gz WZOFEMFLUGAPIQ-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001389316693 989109590 /nfs/dbraw/zinc/10/95/90/989109590.db2.gz WZOFEMFLUGAPIQ-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CC[C@@H](N2CCC3(C[C@@H]3NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001389521845 989358950 /nfs/dbraw/zinc/35/89/50/989358950.db2.gz JFZQNCPMLWCOFK-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)NC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001389603101 989422842 /nfs/dbraw/zinc/42/28/42/989422842.db2.gz CXPPWFFLLONNGY-BPLDGKMQSA-N 1 3 324.469 0.336 20 0 DCADHO CC(C)NC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001389603101 989422845 /nfs/dbraw/zinc/42/28/45/989422845.db2.gz CXPPWFFLLONNGY-BPLDGKMQSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)CCC[NH+](C)C)N(C)C ZINC001389761702 989550246 /nfs/dbraw/zinc/55/02/46/989550246.db2.gz LUFPDXMHGZKRJK-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NCc2cccc(C(N)=O)c2)C1 ZINC001389800715 989590568 /nfs/dbraw/zinc/59/05/68/989590568.db2.gz WHEBMAWLGJPMKK-HNNXBMFYSA-N 1 3 318.421 0.428 20 0 DCADHO C[C@@H]1CN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)[C@@H](C)CN1 ZINC001552692634 1015493040 /nfs/dbraw/zinc/49/30/40/1015493040.db2.gz FWKXNDVUTJDVEZ-GFQSEFKGSA-N 1 3 306.414 0.543 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCN1 ZINC001552692426 1015493254 /nfs/dbraw/zinc/49/32/54/1015493254.db2.gz CIQGWEUCWCLKIP-CQSZACIVSA-N 1 3 305.426 0.947 20 0 DCADHO CN1CCC(NC(=O)c2cn([C@H]3CCCC[C@H]3[NH3+])nn2)CC1 ZINC001552691972 1015493408 /nfs/dbraw/zinc/49/34/08/1015493408.db2.gz YQAKCGFZLXDDPV-OCCSQVGLSA-N 1 3 306.414 0.545 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001390039879 989766883 /nfs/dbraw/zinc/76/68/83/989766883.db2.gz UNXJRXQPQKZTLG-OKILXGFUSA-N 1 3 307.442 0.540 20 0 DCADHO CN1CCC[C@H](N2CCC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001390075556 989797300 /nfs/dbraw/zinc/79/73/00/989797300.db2.gz YTEFGDBDDBAUIO-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001390108492 989827443 /nfs/dbraw/zinc/82/74/43/989827443.db2.gz POTYRMYDWQDROB-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001390155940 989875190 /nfs/dbraw/zinc/87/51/90/989875190.db2.gz KRGMCJZMJJSRLT-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001390264835 989945757 /nfs/dbraw/zinc/94/57/57/989945757.db2.gz JAPNFAVLDYXUNX-WLYUNCDWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001390277405 989954432 /nfs/dbraw/zinc/95/44/32/989954432.db2.gz WXWQADULODSQPT-PNESKVBLSA-N 1 3 310.442 0.362 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001390404840 990063377 /nfs/dbraw/zinc/06/33/77/990063377.db2.gz ORKKDTVIXKNQJL-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001390404840 990063386 /nfs/dbraw/zinc/06/33/86/990063386.db2.gz ORKKDTVIXKNQJL-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCCC1=O ZINC001390408850 990074472 /nfs/dbraw/zinc/07/44/72/990074472.db2.gz WDUVZWHZHWCKGZ-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCCC1 ZINC001390466097 990126740 /nfs/dbraw/zinc/12/67/40/990126740.db2.gz SSKQXFRMLVHPIZ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC001390566181 990205155 /nfs/dbraw/zinc/20/51/55/990205155.db2.gz UARWGBKRJXYZQQ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C(C)C)C2=O)C1 ZINC001390566181 990205163 /nfs/dbraw/zinc/20/51/63/990205163.db2.gz UARWGBKRJXYZQQ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001391224768 990683761 /nfs/dbraw/zinc/68/37/61/990683761.db2.gz HLGACPVWXDOMAX-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001391224768 990683764 /nfs/dbraw/zinc/68/37/64/990683764.db2.gz HLGACPVWXDOMAX-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001391339881 990761009 /nfs/dbraw/zinc/76/10/09/990761009.db2.gz VIYHIMDBEGTAOK-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001391339881 990761011 /nfs/dbraw/zinc/76/10/11/990761011.db2.gz VIYHIMDBEGTAOK-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391355614 990777579 /nfs/dbraw/zinc/77/75/79/990777579.db2.gz OQXUOGQMQGIDCN-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391355614 990777586 /nfs/dbraw/zinc/77/75/86/990777586.db2.gz OQXUOGQMQGIDCN-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCCN1CC ZINC001391750134 991158254 /nfs/dbraw/zinc/15/82/54/991158254.db2.gz BVIBLWKEWQFKKL-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001391752899 991159249 /nfs/dbraw/zinc/15/92/49/991159249.db2.gz KOXFNWCMQAXZJA-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)CN[C@@H](C)c1cnccn1 ZINC001391950876 991321674 /nfs/dbraw/zinc/32/16/74/991321674.db2.gz PRRQHGFVCIXRHX-KBPBESRZSA-N 1 3 317.437 0.975 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001391952787 991323016 /nfs/dbraw/zinc/32/30/16/991323016.db2.gz SRWJCEPFFAGXQC-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)n(C)n1)N(C)C ZINC001391953094 991323603 /nfs/dbraw/zinc/32/36/03/991323603.db2.gz UHKWTTZEIQWACZ-IUODEOHRSA-N 1 3 309.458 0.911 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001392062968 991452688 /nfs/dbraw/zinc/45/26/88/991452688.db2.gz PFTIIPXKCLZNHM-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001392062968 991452692 /nfs/dbraw/zinc/45/26/92/991452692.db2.gz PFTIIPXKCLZNHM-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)CC)N(C)C ZINC001392070496 991460889 /nfs/dbraw/zinc/46/08/89/991460889.db2.gz AGHLQRNYSKLWIS-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cncn1C)C(C)C)N(C)C ZINC001392234597 991637378 /nfs/dbraw/zinc/63/73/78/991637378.db2.gz PMELMWRNFBONNG-GJZGRUSLSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001392796428 992406208 /nfs/dbraw/zinc/40/62/08/992406208.db2.gz CMUVPKIUDJZASF-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1C[C@H](NCc2ccn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001393038701 992644025 /nfs/dbraw/zinc/64/40/25/992644025.db2.gz PWDZZBBVTKVVIM-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001393051237 992652014 /nfs/dbraw/zinc/65/20/14/992652014.db2.gz RLVVRJKZZGMAFZ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001393322242 992879461 /nfs/dbraw/zinc/87/94/61/992879461.db2.gz JUVOIIRNBIDHGL-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393330680 992886628 /nfs/dbraw/zinc/88/66/28/992886628.db2.gz SGTZEGDZACUZKX-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393330680 992886633 /nfs/dbraw/zinc/88/66/33/992886633.db2.gz SGTZEGDZACUZKX-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCC(=O)NC3CC3)CCC2)C1 ZINC001393566041 993088381 /nfs/dbraw/zinc/08/83/81/993088381.db2.gz ISPDEXUTHVSLCT-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCC(=O)NC3CC3)CCC2)C1 ZINC001393566041 993088389 /nfs/dbraw/zinc/08/83/89/993088389.db2.gz ISPDEXUTHVSLCT-CYBMUJFWSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N1CCCC1 ZINC001393750239 993222525 /nfs/dbraw/zinc/22/25/25/993222525.db2.gz NROCMLUSFRIENT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1)N1CCC1 ZINC001393861715 993304365 /nfs/dbraw/zinc/30/43/65/993304365.db2.gz VIWCCTCBENBNMY-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001394139074 993508998 /nfs/dbraw/zinc/50/89/98/993508998.db2.gz VVQPYJGWHXSVMG-IUODEOHRSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001394139074 993509002 /nfs/dbraw/zinc/50/90/02/993509002.db2.gz VVQPYJGWHXSVMG-IUODEOHRSA-N 1 3 322.457 0.283 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001394193609 993535089 /nfs/dbraw/zinc/53/50/89/993535089.db2.gz UUNVTIOHWUHSJB-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)N1CCCCCC1 ZINC001394339686 993633434 /nfs/dbraw/zinc/63/34/34/993633434.db2.gz WAMJGAIBBUPMIR-VQHPVUNQSA-N 1 3 323.481 0.927 20 0 DCADHO C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)N1CCCCCC1 ZINC001394339686 993633437 /nfs/dbraw/zinc/63/34/37/993633437.db2.gz WAMJGAIBBUPMIR-VQHPVUNQSA-N 1 3 323.481 0.927 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001394559213 993828667 /nfs/dbraw/zinc/82/86/67/993828667.db2.gz WRPVFKZOHALOED-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001394559213 993828671 /nfs/dbraw/zinc/82/86/71/993828671.db2.gz WRPVFKZOHALOED-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCC2CCCC2)C1 ZINC001394634892 993943184 /nfs/dbraw/zinc/94/31/84/993943184.db2.gz LYQYSVIASHJIML-GOEBONIOSA-N 1 3 311.470 0.975 20 0 DCADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001394669735 993997058 /nfs/dbraw/zinc/99/70/58/993997058.db2.gz OJLVQXXJBZAWDO-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC2CC2)C[C@@H]1C ZINC001394671147 994001297 /nfs/dbraw/zinc/00/12/97/994001297.db2.gz PXKOFOZXVSTCAK-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NCC2CC2)C[C@@H]1C ZINC001394671147 994001308 /nfs/dbraw/zinc/00/13/08/994001308.db2.gz PXKOFOZXVSTCAK-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)[C@H]1C ZINC001394674574 994008753 /nfs/dbraw/zinc/00/87/53/994008753.db2.gz JCERLBRXKSKWGN-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCc1ccnn1C ZINC001394718515 994052851 /nfs/dbraw/zinc/05/28/51/994052851.db2.gz SIOYKVOAFCPLGP-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001394748794 994102354 /nfs/dbraw/zinc/10/23/54/994102354.db2.gz YLGTUKAORIFNSS-OAHLLOKOSA-N 1 3 320.437 0.332 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001400062622 994120915 /nfs/dbraw/zinc/12/09/15/994120915.db2.gz WPQTVXKIYYWDFO-CQSZACIVSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001400063275 994121187 /nfs/dbraw/zinc/12/11/87/994121187.db2.gz FLFYJXFMTPNKHD-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001400063275 994121197 /nfs/dbraw/zinc/12/11/97/994121197.db2.gz FLFYJXFMTPNKHD-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001400092480 994149364 /nfs/dbraw/zinc/14/93/64/994149364.db2.gz LMPVEXIXVSJKFW-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001400092480 994149368 /nfs/dbraw/zinc/14/93/68/994149368.db2.gz LMPVEXIXVSJKFW-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001400105059 994159099 /nfs/dbraw/zinc/15/90/99/994159099.db2.gz KOONKYVSKQDUCD-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO Cc1nn(C)cc1CN(C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001400237369 994320423 /nfs/dbraw/zinc/32/04/23/994320423.db2.gz LGWHIHBRBHDEMP-HNNXBMFYSA-N 1 3 321.469 0.961 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001400475127 994561219 /nfs/dbraw/zinc/56/12/19/994561219.db2.gz JXCLVXCYTMNYPW-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)N(C)CC ZINC001400823172 994976644 /nfs/dbraw/zinc/97/66/44/994976644.db2.gz JCTCEMDRYGHGJF-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001397059989 995775960 /nfs/dbraw/zinc/77/59/60/995775960.db2.gz IPXLWXBLCMXAKN-XJFOESAGSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CCc1cnn(C)c1 ZINC001507092689 1015977252 /nfs/dbraw/zinc/97/72/52/1015977252.db2.gz ZZVHDOQIDCZIAJ-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001397662574 996122120 /nfs/dbraw/zinc/12/21/20/996122120.db2.gz FTEKNKZOIZELDQ-ZQDZILKHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001397663302 996122215 /nfs/dbraw/zinc/12/22/15/996122215.db2.gz LHBHZQREWIAPIO-XUXIUFHCSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001397729124 996146937 /nfs/dbraw/zinc/14/69/37/996146937.db2.gz ILFGJPYAYUEVKJ-LSDHHAIUSA-N 1 3 322.457 0.493 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCN1C ZINC001397738163 996149694 /nfs/dbraw/zinc/14/96/94/996149694.db2.gz JGCPTOGIHYDXKX-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001397775414 996169515 /nfs/dbraw/zinc/16/95/15/996169515.db2.gz YSVSDTYBOPAVMA-ILXRZTDVSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001397775414 996169520 /nfs/dbraw/zinc/16/95/20/996169520.db2.gz YSVSDTYBOPAVMA-ILXRZTDVSA-N 1 3 324.469 0.372 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001397934406 996265687 /nfs/dbraw/zinc/26/56/87/996265687.db2.gz ALNGQQIBUDCNHW-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[C@H]1CCCN1C ZINC001398092763 996362838 /nfs/dbraw/zinc/36/28/38/996362838.db2.gz ATLIBIBCEMXFAN-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[C@H]1CCCN1C ZINC001398092763 996362842 /nfs/dbraw/zinc/36/28/42/996362842.db2.gz ATLIBIBCEMXFAN-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO Cn1nncc1CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001398442648 996518303 /nfs/dbraw/zinc/51/83/03/996518303.db2.gz CDPJURLPMWVOEZ-IUODEOHRSA-N 1 3 320.441 0.141 20 0 DCADHO Cn1nncc1CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398442648 996518307 /nfs/dbraw/zinc/51/83/07/996518307.db2.gz CDPJURLPMWVOEZ-IUODEOHRSA-N 1 3 320.441 0.141 20 0 DCADHO C[C@H](CN(C)C(=O)CCCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001507163580 1016043488 /nfs/dbraw/zinc/04/34/88/1016043488.db2.gz MEDRGRYOYRPEQK-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001502735689 1016044483 /nfs/dbraw/zinc/04/44/83/1016044483.db2.gz ZUVWNMNAMJFXBP-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001398690383 996641718 /nfs/dbraw/zinc/64/17/18/996641718.db2.gz JMHRHAFPXQULMG-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001398690383 996641723 /nfs/dbraw/zinc/64/17/23/996641723.db2.gz JMHRHAFPXQULMG-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001398723850 996658066 /nfs/dbraw/zinc/65/80/66/996658066.db2.gz INAKXAAILGJXHY-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001398949426 996768704 /nfs/dbraw/zinc/76/87/04/996768704.db2.gz MFENZJGAGGVHSR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001398949426 996768709 /nfs/dbraw/zinc/76/87/09/996768709.db2.gz MFENZJGAGGVHSR-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001404321680 996977111 /nfs/dbraw/zinc/97/71/11/996977111.db2.gz NRZVKQXJRUJJEF-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001404327145 996985736 /nfs/dbraw/zinc/98/57/36/996985736.db2.gz ROXQIECGGASSFY-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCCCC1 ZINC001399163206 997041965 /nfs/dbraw/zinc/04/19/65/997041965.db2.gz MYKWAPPZBPMWMP-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001399273520 997145803 /nfs/dbraw/zinc/14/58/03/997145803.db2.gz UMVGHKZWHKGZKF-KBPBESRZSA-N 1 3 322.457 0.674 20 0 DCADHO COc1nccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCN2C)n1 ZINC001399322434 997209446 /nfs/dbraw/zinc/20/94/46/997209446.db2.gz NXDLAAMPMRUNLB-TZMCWYRMSA-N 1 3 321.425 0.564 20 0 DCADHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001404538754 997219051 /nfs/dbraw/zinc/21/90/51/997219051.db2.gz VDXXVKLRQGSQDC-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001404538754 997219062 /nfs/dbraw/zinc/21/90/62/997219062.db2.gz VDXXVKLRQGSQDC-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)CCc1ccnn1C)[NH+](C)C ZINC001399497044 997443951 /nfs/dbraw/zinc/44/39/51/997443951.db2.gz XLORBMOJVRPPEO-HNNXBMFYSA-N 1 3 309.458 0.597 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](CO)NCc1ccc(Cl)cc1 ZINC001507231506 1016157297 /nfs/dbraw/zinc/15/72/97/1016157297.db2.gz HYTMKYYNDSTJEP-AWEZNQCLSA-N 1 3 313.829 0.858 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCCO)C1 ZINC001505416286 1016221655 /nfs/dbraw/zinc/22/16/55/1016221655.db2.gz DFKAKAAVCAODDA-DJIMGWMZSA-N 1 3 317.433 0.692 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCCO)C1 ZINC001505416286 1016221660 /nfs/dbraw/zinc/22/16/60/1016221660.db2.gz DFKAKAAVCAODDA-DJIMGWMZSA-N 1 3 317.433 0.692 20 0 DCADHO C[C@@H]1[C@H](NCc2ccnn2C)CCN1C(=O)CCC[NH+](C)C ZINC001507291529 1016223196 /nfs/dbraw/zinc/22/31/96/1016223196.db2.gz WBQQADLAOVCHQX-UKRRQHHQSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC001507293509 1016226080 /nfs/dbraw/zinc/22/60/80/1016226080.db2.gz NQNHSOSNGMKSSD-YPMHNXCESA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)[C@H]1C ZINC001507293509 1016226090 /nfs/dbraw/zinc/22/60/90/1016226090.db2.gz NQNHSOSNGMKSSD-YPMHNXCESA-N 1 3 308.430 0.534 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001505537826 1016292065 /nfs/dbraw/zinc/29/20/65/1016292065.db2.gz NCFMWLHZYVDRTP-RUXDESIVSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC001507435048 1016327109 /nfs/dbraw/zinc/32/71/09/1016327109.db2.gz JGFPIHPMIPLDKW-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](O)CCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001507446922 1016333755 /nfs/dbraw/zinc/33/37/55/1016333755.db2.gz FYLSFIBHPXKQTB-JSGCOSHPSA-N 1 3 308.426 0.940 20 0 DCADHO CC1CC(C[NH2+]C[C@H](O)CN(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001507484595 1016393578 /nfs/dbraw/zinc/39/35/78/1016393578.db2.gz GWSFGXCLTUAWGQ-NRXISQOPSA-N 1 3 311.470 0.926 20 0 DCADHO COC[C@H](O)C[NH2+]C1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001401187625 1000255347 /nfs/dbraw/zinc/25/53/47/1000255347.db2.gz JEXCJNRTARBPJV-CYBMUJFWSA-N 1 3 324.425 0.287 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccnn3C)C2)CCC1 ZINC001418682936 1000448832 /nfs/dbraw/zinc/44/88/32/1000448832.db2.gz MNCMGIDVQYOYOX-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCc2ccns2)CC1 ZINC001401577189 1000513884 /nfs/dbraw/zinc/51/38/84/1000513884.db2.gz SWFFFUGZNJKQGR-NSHDSACASA-N 1 3 312.439 0.052 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)[C@H]1CCCCN1C ZINC001401595876 1000530776 /nfs/dbraw/zinc/53/07/76/1000530776.db2.gz ONGZZVPLGOPMGH-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001401620806 1000557564 /nfs/dbraw/zinc/55/75/64/1000557564.db2.gz ULPRLOSHTJCXHN-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001401620806 1000557572 /nfs/dbraw/zinc/55/75/72/1000557572.db2.gz ULPRLOSHTJCXHN-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC1CC1 ZINC001418833361 1000559458 /nfs/dbraw/zinc/55/94/58/1000559458.db2.gz UQXWSFSZELSLTI-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CC1 ZINC001418833361 1000559461 /nfs/dbraw/zinc/55/94/61/1000559461.db2.gz UQXWSFSZELSLTI-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401627341 1000566732 /nfs/dbraw/zinc/56/67/32/1000566732.db2.gz KLNUIWOGMKHOTG-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401627341 1000566734 /nfs/dbraw/zinc/56/67/34/1000566734.db2.gz KLNUIWOGMKHOTG-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001418847522 1000568827 /nfs/dbraw/zinc/56/88/27/1000568827.db2.gz QRRQPOQNMAIPKG-VXGBXAGGSA-N 1 3 321.425 0.303 20 0 DCADHO CC[C@@H](C)NC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401639042 1000577374 /nfs/dbraw/zinc/57/73/74/1000577374.db2.gz MDJHSYPXRQCSSU-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001401645004 1000583505 /nfs/dbraw/zinc/58/35/05/1000583505.db2.gz ZYBSKYIVWLFNLV-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCN2CC[NH+](CC3CC3)CC2)C1 ZINC001418916789 1000612954 /nfs/dbraw/zinc/61/29/54/1000612954.db2.gz ODEBEPYAXSUZAC-INIZCTEOSA-N 1 3 322.497 0.814 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001418941523 1000633857 /nfs/dbraw/zinc/63/38/57/1000633857.db2.gz HTNMKCJKGIUPQI-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001418941523 1000633858 /nfs/dbraw/zinc/63/38/58/1000633858.db2.gz HTNMKCJKGIUPQI-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001401696060 1000634731 /nfs/dbraw/zinc/63/47/31/1000634731.db2.gz RFYRQYLDLGKEAL-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001401696060 1000634735 /nfs/dbraw/zinc/63/47/35/1000634735.db2.gz RFYRQYLDLGKEAL-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CC(=O)NC1CC1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001418948090 1000636998 /nfs/dbraw/zinc/63/69/98/1000636998.db2.gz VBXPOIBFILZNJG-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401716845 1000655227 /nfs/dbraw/zinc/65/52/27/1000655227.db2.gz KQVFARXIYCTHBT-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401716845 1000655228 /nfs/dbraw/zinc/65/52/28/1000655228.db2.gz KQVFARXIYCTHBT-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C[N@H+](C)CCn1cccn1)NC(=O)CN1CC[C@H](C)C1 ZINC001401776902 1000717465 /nfs/dbraw/zinc/71/74/65/1000717465.db2.gz IHFQPAUGFASSQA-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](C[N@@H+](C)CCn1cccn1)NC(=O)CN1CC[C@H](C)C1 ZINC001401776902 1000717469 /nfs/dbraw/zinc/71/74/69/1000717469.db2.gz IHFQPAUGFASSQA-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(=O)N(C)C ZINC001401878552 1000812883 /nfs/dbraw/zinc/81/28/83/1000812883.db2.gz WBLHXNSPCXGMKW-OCCSQVGLSA-N 1 3 322.453 0.043 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001401978225 1000920350 /nfs/dbraw/zinc/92/03/50/1000920350.db2.gz BTPMXSAREWQVKV-BBRMVZONSA-N 1 3 318.421 0.926 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001419272447 1000939383 /nfs/dbraw/zinc/93/93/83/1000939383.db2.gz MWAJFQSSLXMODZ-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001402080169 1001000242 /nfs/dbraw/zinc/00/02/42/1001000242.db2.gz SSYOBPYMVSZUMX-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001402082443 1001002581 /nfs/dbraw/zinc/00/25/81/1001002581.db2.gz UFEAQTDLSZRXNF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419369776 1001005368 /nfs/dbraw/zinc/00/53/68/1001005368.db2.gz APIFCLLLKNEAOF-QWHCGFSZSA-N 1 3 321.425 0.305 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001419405601 1001026423 /nfs/dbraw/zinc/02/64/23/1001026423.db2.gz XUFZOCATMVEKDX-FDYHWXHSSA-N 1 3 316.421 0.038 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNCCF)[NH+]1CCCC1 ZINC001507567983 1016459311 /nfs/dbraw/zinc/45/93/11/1016459311.db2.gz PCDQVHQZJQHTBX-UONOGXRCSA-N 1 3 303.422 0.485 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001419413481 1001032666 /nfs/dbraw/zinc/03/26/66/1001032666.db2.gz NYNJZIONDAOFNT-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001419519573 1001111633 /nfs/dbraw/zinc/11/16/33/1001111633.db2.gz NGRBRRYRIIFFFG-OKILXGFUSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)C2CC[NH+](C)CC2)nn1C ZINC001419519401 1001112314 /nfs/dbraw/zinc/11/23/14/1001112314.db2.gz NFAJUCILQIDQCV-ZDUSSCGKSA-N 1 3 321.469 0.912 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001419544553 1001128286 /nfs/dbraw/zinc/12/82/86/1001128286.db2.gz RCAMHVVZLYXNMH-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419544553 1001128290 /nfs/dbraw/zinc/12/82/90/1001128290.db2.gz RCAMHVVZLYXNMH-UONOGXRCSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001419669759 1001210990 /nfs/dbraw/zinc/21/09/90/1001210990.db2.gz DOMNNCAYSMBHCQ-GZBFAFLISA-N 1 3 324.469 0.384 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001419669759 1001210993 /nfs/dbraw/zinc/21/09/93/1001210993.db2.gz DOMNNCAYSMBHCQ-GZBFAFLISA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001419671562 1001212609 /nfs/dbraw/zinc/21/26/09/1001212609.db2.gz HUUTUNOMXZLBNM-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001419671562 1001212614 /nfs/dbraw/zinc/21/26/14/1001212614.db2.gz HUUTUNOMXZLBNM-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCn2cncn2)C1 ZINC001402420956 1001292452 /nfs/dbraw/zinc/29/24/52/1001292452.db2.gz XIYOVMLMIYACRR-GJZGRUSLSA-N 1 3 322.457 0.445 20 0 DCADHO CC(C)OCCN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402458092 1001329046 /nfs/dbraw/zinc/32/90/46/1001329046.db2.gz GCRZQLQMVBBHBB-INIZCTEOSA-N 1 3 315.458 0.306 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001419835407 1001343743 /nfs/dbraw/zinc/34/37/43/1001343743.db2.gz CIAPLGXJVMWIOF-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001419839985 1001346915 /nfs/dbraw/zinc/34/69/15/1001346915.db2.gz QAHILLFGPMHWMG-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001402482668 1001351051 /nfs/dbraw/zinc/35/10/51/1001351051.db2.gz PWYVQRAEONZRDN-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(C)(C)C ZINC001419852837 1001358490 /nfs/dbraw/zinc/35/84/90/1001358490.db2.gz PZUCOWMLDWBBSA-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001419897567 1001393131 /nfs/dbraw/zinc/39/31/31/1001393131.db2.gz PPVNRQQLVNEHON-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419913962 1001404525 /nfs/dbraw/zinc/40/45/25/1001404525.db2.gz ZEFJXHGBGYFBRE-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccnn2C)CCC1 ZINC001402578499 1001418233 /nfs/dbraw/zinc/41/82/33/1001418233.db2.gz ZMGXPJAGLMDDNO-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccnn2C)CCC1 ZINC001402578499 1001418236 /nfs/dbraw/zinc/41/82/36/1001418236.db2.gz ZMGXPJAGLMDDNO-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001402583460 1001422116 /nfs/dbraw/zinc/42/21/16/1001422116.db2.gz BLUBSQBCSYOBLQ-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001402776478 1001497737 /nfs/dbraw/zinc/49/77/37/1001497737.db2.gz WVDGMCJUSUTAAU-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC1([NH2+]CCn2cncn2)CCN(C(=O)CN2CCCC2)CC1 ZINC001402781996 1001500320 /nfs/dbraw/zinc/50/03/20/1001500320.db2.gz OIESNUBGGBXCIU-UHFFFAOYSA-N 1 3 320.441 0.345 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cnnn1C)N(C)C ZINC001402854097 1001537234 /nfs/dbraw/zinc/53/72/34/1001537234.db2.gz YSLJIEXRCDOLNG-GXTWGEPZSA-N 1 3 310.446 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001402865785 1001543883 /nfs/dbraw/zinc/54/38/83/1001543883.db2.gz YLVYWZQLQDQDKS-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO COC[C@@H](C)[NH+]1CCC(CO)(NC(=O)CN(C)C(C)C)CC1 ZINC001402893182 1001560635 /nfs/dbraw/zinc/56/06/35/1001560635.db2.gz PAPMWNUBJTZHPI-CQSZACIVSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC001402898531 1001563481 /nfs/dbraw/zinc/56/34/81/1001563481.db2.gz WLXGCGWFSSBUES-GDBMZVCRSA-N 1 3 321.469 0.931 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001403040544 1001644602 /nfs/dbraw/zinc/64/46/02/1001644602.db2.gz IWMLOLXRNWNHKO-UHFFFAOYSA-N 1 3 307.398 0.057 20 0 DCADHO C[C@@H](NCC(=O)N(C)C1CC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001403051176 1001650896 /nfs/dbraw/zinc/65/08/96/1001650896.db2.gz PQRRCWCMVPVPPX-OLZOCXBDSA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001403210646 1001734895 /nfs/dbraw/zinc/73/48/95/1001734895.db2.gz GQSCIWGNGMCLGL-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001403252178 1001763601 /nfs/dbraw/zinc/76/36/01/1001763601.db2.gz WPPYYGBYJQEULN-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCn1cc(CN[C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001420015283 1001764469 /nfs/dbraw/zinc/76/44/69/1001764469.db2.gz IJYYTGWRZBUFMH-ZIAGYGMSSA-N 1 3 322.457 0.767 20 0 DCADHO CCn1cc(CN[C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001420015276 1001764595 /nfs/dbraw/zinc/76/45/95/1001764595.db2.gz IJYYTGWRZBUFMH-KGLIPLIRSA-N 1 3 322.457 0.767 20 0 DCADHO CCn1nnc(C)c1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001420068626 1001801733 /nfs/dbraw/zinc/80/17/33/1001801733.db2.gz OQKODADEOOANTQ-OCCSQVGLSA-N 1 3 322.457 0.685 20 0 DCADHO CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001420070991 1001805411 /nfs/dbraw/zinc/80/54/11/1001805411.db2.gz BHYGMDULQXTRJY-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCNC(=O)CN(C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001403495018 1002029205 /nfs/dbraw/zinc/02/92/05/1002029205.db2.gz YLLBMSVMPKGMST-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)N1CCC1 ZINC001403547429 1002118589 /nfs/dbraw/zinc/11/85/89/1002118589.db2.gz DHDBWLMXFAPVML-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)N1CCC1 ZINC001403547429 1002118597 /nfs/dbraw/zinc/11/85/97/1002118597.db2.gz DHDBWLMXFAPVML-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001403571551 1002157858 /nfs/dbraw/zinc/15/78/58/1002157858.db2.gz RFBVKLWYFJRENI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001403571551 1002157871 /nfs/dbraw/zinc/15/78/71/1002157871.db2.gz RFBVKLWYFJRENI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCCN(C)C1=O ZINC001403591823 1002179025 /nfs/dbraw/zinc/17/90/25/1002179025.db2.gz QCWCZCGUVOSXMW-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)C(N)=O ZINC001505837666 1016601703 /nfs/dbraw/zinc/60/17/03/1016601703.db2.gz XOFGTTARJWBBLF-LBPRGKRZSA-N 1 3 309.414 0.290 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)CCO[C@@H]2CC2(F)F)C1 ZINC001403688798 1002355130 /nfs/dbraw/zinc/35/51/30/1002355130.db2.gz SOELDGWOVOSZPW-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)CCO[C@@H]2CC2(F)F)C1 ZINC001403688798 1002355143 /nfs/dbraw/zinc/35/51/43/1002355143.db2.gz SOELDGWOVOSZPW-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001425110142 1002368078 /nfs/dbraw/zinc/36/80/78/1002368078.db2.gz XAXXYTSWXMDBBD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425110142 1002368091 /nfs/dbraw/zinc/36/80/91/1002368091.db2.gz XAXXYTSWXMDBBD-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001420421292 1002393088 /nfs/dbraw/zinc/39/30/88/1002393088.db2.gz GYOXZKHEMRGVGZ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC001425248276 1002476222 /nfs/dbraw/zinc/47/62/22/1002476222.db2.gz DTQOPCXXEICYFN-CYBMUJFWSA-N 1 3 320.437 0.274 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001425261317 1002489850 /nfs/dbraw/zinc/48/98/50/1002489850.db2.gz VOGNPCYQGBJPER-YRGRVCCFSA-N 1 3 321.425 0.256 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001425261317 1002489854 /nfs/dbraw/zinc/48/98/54/1002489854.db2.gz VOGNPCYQGBJPER-YRGRVCCFSA-N 1 3 321.425 0.256 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C[C@H]1C ZINC001403768129 1002492925 /nfs/dbraw/zinc/49/29/25/1002492925.db2.gz HDXGLVORBJWRFH-ZIAGYGMSSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1[N@@H+]([C@@H]1CCNC1=O)CC2 ZINC001403770572 1002495854 /nfs/dbraw/zinc/49/58/54/1002495854.db2.gz NTUQSAINYSZDPY-CPUCHLNUSA-N 1 3 322.453 0.328 20 0 DCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1[N@H+]([C@@H]1CCNC1=O)CC2 ZINC001403770572 1002495859 /nfs/dbraw/zinc/49/58/59/1002495859.db2.gz NTUQSAINYSZDPY-CPUCHLNUSA-N 1 3 322.453 0.328 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001420548946 1002600447 /nfs/dbraw/zinc/60/04/47/1002600447.db2.gz PHLXPCDULBICEB-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001420548946 1002600453 /nfs/dbraw/zinc/60/04/53/1002600453.db2.gz PHLXPCDULBICEB-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)C1CC[NH+](C)CC1 ZINC001403881104 1002673158 /nfs/dbraw/zinc/67/31/58/1002673158.db2.gz WUYTVHZWFSGTHF-INIZCTEOSA-N 1 3 320.437 0.332 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001425555714 1002809358 /nfs/dbraw/zinc/80/93/58/1002809358.db2.gz KMNWIRGQIUQMIM-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001425555714 1002809363 /nfs/dbraw/zinc/80/93/63/1002809363.db2.gz KMNWIRGQIUQMIM-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001425580174 1002845832 /nfs/dbraw/zinc/84/58/32/1002845832.db2.gz JNIFOXDYIJEUNJ-DGCLKSJQSA-N 1 3 307.398 0.010 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1=O ZINC001420718502 1002846107 /nfs/dbraw/zinc/84/61/07/1002846107.db2.gz UBNFLTMFYYUXRY-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001420718502 1002846119 /nfs/dbraw/zinc/84/61/19/1002846119.db2.gz UBNFLTMFYYUXRY-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)NCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001420722825 1002855736 /nfs/dbraw/zinc/85/57/36/1002855736.db2.gz DSXZUWINPRHFHF-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O)CC(C)(C)C ZINC001420727345 1002869071 /nfs/dbraw/zinc/86/90/71/1002869071.db2.gz OSOQHGHMGBXYQI-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)N[C@H]1CCNC1=O ZINC001425608607 1002883481 /nfs/dbraw/zinc/88/34/81/1002883481.db2.gz AOMLHQVYQYAZGF-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)N(C)C ZINC001425621855 1002901639 /nfs/dbraw/zinc/90/16/39/1002901639.db2.gz CGGJKNPPLLUXFX-CHWSQXEVSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cccn1 ZINC001425650090 1002926056 /nfs/dbraw/zinc/92/60/56/1002926056.db2.gz HKUUTNZMYZHICT-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H](CNCC(N)=O)C2CC2)CCCCC1 ZINC001420769178 1002931433 /nfs/dbraw/zinc/93/14/33/1002931433.db2.gz UMUKZTZEQQHSME-CQSZACIVSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001420879528 1003081596 /nfs/dbraw/zinc/08/15/96/1003081596.db2.gz UNVXFXVIMWDYFN-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO Cn1nccc1CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001420883940 1003082803 /nfs/dbraw/zinc/08/28/03/1003082803.db2.gz KHJJBUUNADTQIN-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1nccc1CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001420883940 1003082811 /nfs/dbraw/zinc/08/28/11/1003082811.db2.gz KHJJBUUNADTQIN-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001420888593 1003091041 /nfs/dbraw/zinc/09/10/41/1003091041.db2.gz UBHGOYCKGNANQX-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CC[C@H](NC1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001420951565 1003169154 /nfs/dbraw/zinc/16/91/54/1003169154.db2.gz FJAVVCPQMVTMIX-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](NC1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1)C(N)=O ZINC001420951565 1003169161 /nfs/dbraw/zinc/16/91/61/1003169161.db2.gz FJAVVCPQMVTMIX-STQMWFEESA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)[NH2+]CC(N)=O ZINC001406040478 1003292697 /nfs/dbraw/zinc/29/26/97/1003292697.db2.gz HEQDTRCVNYKNBH-KGLIPLIRSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CN(C)CC(C)(C)C ZINC001421113859 1003332870 /nfs/dbraw/zinc/33/28/70/1003332870.db2.gz ZZUWVDHSMRAANI-OLZOCXBDSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001426148242 1003467049 /nfs/dbraw/zinc/46/70/49/1003467049.db2.gz NZBBXAUXSJNGDI-ZDUSSCGKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cncs2)CC[N@@H+]1C ZINC001406228509 1003502392 /nfs/dbraw/zinc/50/23/92/1003502392.db2.gz YBJSVGJWZBCVNH-NTZNESFSSA-N 1 3 312.439 0.050 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cncs2)CC[N@H+]1C ZINC001406228509 1003502399 /nfs/dbraw/zinc/50/23/99/1003502399.db2.gz YBJSVGJWZBCVNH-NTZNESFSSA-N 1 3 312.439 0.050 20 0 DCADHO C[C@@H](O)CN1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001421330174 1003551557 /nfs/dbraw/zinc/55/15/57/1003551557.db2.gz FGIAOYUAKUIXDC-VXGBXAGGSA-N 1 3 307.385 0.392 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001406318780 1003601956 /nfs/dbraw/zinc/60/19/56/1003601956.db2.gz AWCYRMXMCMOSSY-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN[C@@H]2CCNC2=O)CC1 ZINC001406422541 1003703887 /nfs/dbraw/zinc/70/38/87/1003703887.db2.gz SGSVOJMNVOFTNG-TZMCWYRMSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406522530 1003787387 /nfs/dbraw/zinc/78/73/87/1003787387.db2.gz VYGOQNOHFIWIKD-IHRRRGAJSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406522530 1003787392 /nfs/dbraw/zinc/78/73/92/1003787392.db2.gz VYGOQNOHFIWIKD-IHRRRGAJSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001428744152 1004144707 /nfs/dbraw/zinc/14/47/07/1004144707.db2.gz TTWSQIRWBQUITR-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428744152 1004144713 /nfs/dbraw/zinc/14/47/13/1004144713.db2.gz TTWSQIRWBQUITR-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCc1cnn(C)c1 ZINC001506002106 1016857297 /nfs/dbraw/zinc/85/72/97/1016857297.db2.gz NXBOEKHEOPKBNW-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCc1cnn(C)c1 ZINC001506002106 1016857313 /nfs/dbraw/zinc/85/73/13/1016857313.db2.gz NXBOEKHEOPKBNW-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001407046480 1004331604 /nfs/dbraw/zinc/33/16/04/1004331604.db2.gz FASJYTFGRYRENI-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001407052668 1004337182 /nfs/dbraw/zinc/33/71/82/1004337182.db2.gz NTUNUVGKEWSPQD-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001407052668 1004337188 /nfs/dbraw/zinc/33/71/88/1004337188.db2.gz NTUNUVGKEWSPQD-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001407122496 1004403186 /nfs/dbraw/zinc/40/31/86/1004403186.db2.gz ZTKQZYWHTYKMSN-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001407122496 1004403192 /nfs/dbraw/zinc/40/31/92/1004403192.db2.gz ZTKQZYWHTYKMSN-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CN1CC[C@H](NC[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001407123006 1004403543 /nfs/dbraw/zinc/40/35/43/1004403543.db2.gz RXNBTUMIWRKRSG-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(CN1CCCC1)NCC1(O)C[NH+](CC2CCCCC2)C1 ZINC001407464909 1004666456 /nfs/dbraw/zinc/66/64/56/1004666456.db2.gz DFVHNXDIMBRZFV-UHFFFAOYSA-N 1 3 309.454 0.825 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001407543403 1004720784 /nfs/dbraw/zinc/72/07/84/1004720784.db2.gz PVCZOBDWIVBGPA-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001429667984 1004722373 /nfs/dbraw/zinc/72/23/73/1004722373.db2.gz WJCLQYLTESXONZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001429667984 1004722379 /nfs/dbraw/zinc/72/23/79/1004722379.db2.gz WJCLQYLTESXONZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2nnc(C)[nH]2)C1 ZINC001407546802 1004724380 /nfs/dbraw/zinc/72/43/80/1004724380.db2.gz UPQPESCYUKSPJQ-OCCSQVGLSA-N 1 3 322.457 0.639 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2nnc(C)[nH]2)C1 ZINC001407546802 1004724386 /nfs/dbraw/zinc/72/43/86/1004724386.db2.gz UPQPESCYUKSPJQ-OCCSQVGLSA-N 1 3 322.457 0.639 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001407649544 1004786599 /nfs/dbraw/zinc/78/65/99/1004786599.db2.gz GFJMRKZEJHBPHS-SOUVJXGZSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001407649544 1004786600 /nfs/dbraw/zinc/78/66/00/1004786600.db2.gz GFJMRKZEJHBPHS-SOUVJXGZSA-N 1 3 322.453 0.138 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001408097830 1005037597 /nfs/dbraw/zinc/03/75/97/1005037597.db2.gz KMFWULWPDDBXAN-GOEBONIOSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001414802262 1005404827 /nfs/dbraw/zinc/40/48/27/1005404827.db2.gz ZYOJEVOJCSEDQL-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001414802262 1005404828 /nfs/dbraw/zinc/40/48/28/1005404828.db2.gz ZYOJEVOJCSEDQL-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001415773626 1005609155 /nfs/dbraw/zinc/60/91/55/1005609155.db2.gz WHPQQEMPYSDYSR-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001415773626 1005609159 /nfs/dbraw/zinc/60/91/59/1005609159.db2.gz WHPQQEMPYSDYSR-AWEZNQCLSA-N 1 3 321.425 0.401 20 0 DCADHO CC[C@H](C(=O)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1)N(C)C ZINC001415855230 1005624685 /nfs/dbraw/zinc/62/46/85/1005624685.db2.gz GRBHUCYYZCKDLX-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1)N(C)C ZINC001415855230 1005624686 /nfs/dbraw/zinc/62/46/86/1005624686.db2.gz GRBHUCYYZCKDLX-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001416677402 1005722388 /nfs/dbraw/zinc/72/23/88/1005722388.db2.gz MSLYXOQIZBFEJQ-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001417960851 1005940405 /nfs/dbraw/zinc/94/04/05/1005940405.db2.gz JTMVIXLGOXNEBH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001418064257 1005996886 /nfs/dbraw/zinc/99/68/86/1005996886.db2.gz NAMTXEIOLLIEAF-IHRRRGAJSA-N 1 3 310.442 0.090 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001438681672 1006025635 /nfs/dbraw/zinc/02/56/35/1006025635.db2.gz WRIYCKAGSVEGNB-SWLSCSKDSA-N 1 3 307.442 0.759 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001418101759 1006039253 /nfs/dbraw/zinc/03/92/53/1006039253.db2.gz HOQSEYIMCQNPGP-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001438709896 1006056978 /nfs/dbraw/zinc/05/69/78/1006056978.db2.gz CLPDKXOOCMMRHP-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001438732319 1006081019 /nfs/dbraw/zinc/08/10/19/1006081019.db2.gz GBXOHPCETSAZSJ-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001436417539 1006170349 /nfs/dbraw/zinc/17/03/49/1006170349.db2.gz QRWYHCABJNHKLG-GZBFAFLISA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001418237094 1006223612 /nfs/dbraw/zinc/22/36/12/1006223612.db2.gz RWPHUNQZKNUKNG-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001436662395 1006244138 /nfs/dbraw/zinc/24/41/38/1006244138.db2.gz CXKBRFSYRFHFMX-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CCN(CCN2CCCC2=O)CC1 ZINC001436676155 1006254441 /nfs/dbraw/zinc/25/44/41/1006254441.db2.gz YABPXQVOXDIJHB-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001436763044 1006330508 /nfs/dbraw/zinc/33/05/08/1006330508.db2.gz RDFUJRUCYRUURA-KBPBESRZSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1C)N(C)C ZINC001438999385 1006341591 /nfs/dbraw/zinc/34/15/91/1006341591.db2.gz KVOIJWKUPKTSPW-LSDHHAIUSA-N 1 3 308.426 0.297 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2ccsc2)C1 ZINC001439025623 1006376490 /nfs/dbraw/zinc/37/64/90/1006376490.db2.gz XAPQEPOGTGSIRD-GXTWGEPZSA-N 1 3 311.451 0.657 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](NCC(N)=O)C1CC1)[NH+]1CCCCC1 ZINC001436834114 1006410109 /nfs/dbraw/zinc/41/01/09/1006410109.db2.gz QMQBSMVJQVEMIA-ZBFHGGJFSA-N 1 3 324.469 0.467 20 0 DCADHO COc1cc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)on1 ZINC001418347900 1006412832 /nfs/dbraw/zinc/41/28/32/1006412832.db2.gz FNEOIMWUCXBEPE-GFCCVEGCSA-N 1 3 310.398 0.573 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001439116477 1006487015 /nfs/dbraw/zinc/48/70/15/1006487015.db2.gz XSWKBZLIFRMSTQ-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001439116477 1006487021 /nfs/dbraw/zinc/48/70/21/1006487021.db2.gz XSWKBZLIFRMSTQ-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001436980003 1006496554 /nfs/dbraw/zinc/49/65/54/1006496554.db2.gz UPLIHKNUUFDGDJ-LXTVHRRPSA-N 1 3 313.442 0.105 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001436979999 1006496695 /nfs/dbraw/zinc/49/66/95/1006496695.db2.gz UPLIHKNUUFDGDJ-BARDWOONSA-N 1 3 313.442 0.105 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001439181714 1006549533 /nfs/dbraw/zinc/54/95/33/1006549533.db2.gz IGTKUEQFDVUTFO-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cn1 ZINC001439257402 1006628318 /nfs/dbraw/zinc/62/83/18/1006628318.db2.gz ZAOJDZQKMWPUJT-STQMWFEESA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)cn1 ZINC001439257402 1006628322 /nfs/dbraw/zinc/62/83/22/1006628322.db2.gz ZAOJDZQKMWPUJT-STQMWFEESA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001439257719 1006630331 /nfs/dbraw/zinc/63/03/31/1006630331.db2.gz OKDWSDLPLYIOON-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cncn1C ZINC001437134062 1006631935 /nfs/dbraw/zinc/63/19/35/1006631935.db2.gz VXPWIZOIRQBLBT-WFASDCNBSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+]CCn1cccn1 ZINC001437182304 1006678196 /nfs/dbraw/zinc/67/81/96/1006678196.db2.gz CUNKOJREBSWKQY-CQSZACIVSA-N 1 3 307.442 0.852 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001437206852 1006706444 /nfs/dbraw/zinc/70/64/44/1006706444.db2.gz NIVLWHSOHDVILS-CHWSQXEVSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]Cc2ccnn2C)C2CC2)C1 ZINC001439479833 1006907887 /nfs/dbraw/zinc/90/78/87/1006907887.db2.gz ZSMDIMVTXQDNEK-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCc1ccnn1C ZINC001437419424 1006934836 /nfs/dbraw/zinc/93/48/36/1006934836.db2.gz BXSFGTSFWPAGEU-GFCCVEGCSA-N 1 3 318.425 0.721 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2C[C@@H]2CCCOC2)CC1 ZINC001439546944 1006989046 /nfs/dbraw/zinc/98/90/46/1006989046.db2.gz PEXUBIRIGHUNAK-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001452833117 1007102837 /nfs/dbraw/zinc/10/28/37/1007102837.db2.gz BSRFMRSTHKKUTL-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001439764051 1007181700 /nfs/dbraw/zinc/18/17/00/1007181700.db2.gz GBOUNSUBWRLIKQ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001439764051 1007181703 /nfs/dbraw/zinc/18/17/03/1007181703.db2.gz GBOUNSUBWRLIKQ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001439775132 1007189323 /nfs/dbraw/zinc/18/93/23/1007189323.db2.gz YIAQBDFJDAPJNB-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCN1C(=O)CCC[NH+](C)C ZINC001453210601 1007316003 /nfs/dbraw/zinc/31/60/03/1007316003.db2.gz BJAKSQWPMDXAQS-ZDUSSCGKSA-N 1 3 321.425 0.320 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC001437727832 1007320418 /nfs/dbraw/zinc/32/04/18/1007320418.db2.gz VJMYZMULNKTTKE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCCN(C)C2=O)C1 ZINC001437727832 1007320429 /nfs/dbraw/zinc/32/04/29/1007320429.db2.gz VJMYZMULNKTTKE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001437856580 1007467413 /nfs/dbraw/zinc/46/74/13/1007467413.db2.gz LFWYTVPIPQVVOJ-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)[nH]1 ZINC001440134984 1007515566 /nfs/dbraw/zinc/51/55/66/1007515566.db2.gz NOXZTKRCNUVLSU-WCQYABFASA-N 1 3 308.430 0.249 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001437983735 1007559404 /nfs/dbraw/zinc/55/94/04/1007559404.db2.gz ALGFCOHSYLSAOJ-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CN(CC(=O)NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1)C1CCC1 ZINC001438128116 1007654824 /nfs/dbraw/zinc/65/48/24/1007654824.db2.gz LFCASAOMUUFYCI-YJBOKZPZSA-N 1 3 321.465 0.945 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)NC ZINC001438312043 1007810199 /nfs/dbraw/zinc/81/01/99/1007810199.db2.gz LEAMJMFVVAJEFU-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(=O)NC ZINC001438312043 1007810211 /nfs/dbraw/zinc/81/02/11/1007810211.db2.gz LEAMJMFVVAJEFU-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001438339953 1007842438 /nfs/dbraw/zinc/84/24/38/1007842438.db2.gz STRYWAINGFZHAC-ZFWWWQNUSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]([NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001438433837 1007904854 /nfs/dbraw/zinc/90/48/54/1007904854.db2.gz LAUBFPFDEGYERG-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCn2cncn2)[C@@H](C)C1 ZINC001440653180 1007942064 /nfs/dbraw/zinc/94/20/64/1007942064.db2.gz YLUXRXWAXXLDHD-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCn2cncn2)[C@@H](C)C1 ZINC001440653180 1007942075 /nfs/dbraw/zinc/94/20/75/1007942075.db2.gz YLUXRXWAXXLDHD-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(=O)NC1CC1 ZINC001438515636 1007965556 /nfs/dbraw/zinc/96/55/56/1007965556.db2.gz DHXIKALZWXSXSA-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)nn1C ZINC001440755720 1008000104 /nfs/dbraw/zinc/00/01/04/1008000104.db2.gz DYVCKJJLNSQYMY-UHFFFAOYSA-N 1 3 307.442 0.665 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001441276059 1008302044 /nfs/dbraw/zinc/30/20/44/1008302044.db2.gz QPKUNGYHJOYETJ-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)NC(C)(C)C)C2CC2)C1 ZINC001441276059 1008302049 /nfs/dbraw/zinc/30/20/49/1008302049.db2.gz QPKUNGYHJOYETJ-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)nnn2CC)C1)N(C)C ZINC001441481734 1008370460 /nfs/dbraw/zinc/37/04/60/1008370460.db2.gz DUOWUXZOBIXHQW-HZSPNIEDSA-N 1 3 322.457 0.683 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)C1)C1CCC1 ZINC001441486385 1008373389 /nfs/dbraw/zinc/37/33/89/1008373389.db2.gz KJWBPIKFYFVIFZ-OKILXGFUSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001441596200 1008417248 /nfs/dbraw/zinc/41/72/48/1008417248.db2.gz NPQYKGXCPQNQRS-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001441607843 1008423227 /nfs/dbraw/zinc/42/32/27/1008423227.db2.gz MGIWHEDILMEHSP-ZDUSSCGKSA-N 1 3 312.458 0.278 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C)C1=O ZINC001441663691 1008447199 /nfs/dbraw/zinc/44/71/99/1008447199.db2.gz YEYVQXQEPGRKTF-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(C)C)[C@H]1C ZINC001441818212 1008516036 /nfs/dbraw/zinc/51/60/36/1008516036.db2.gz CJAWLVBTZFRORZ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(C)C)[C@H]1C ZINC001441818212 1008516042 /nfs/dbraw/zinc/51/60/42/1008516042.db2.gz CJAWLVBTZFRORZ-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001441844969 1008560795 /nfs/dbraw/zinc/56/07/95/1008560795.db2.gz XOAVJELQHMEXLQ-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001441844971 1008561040 /nfs/dbraw/zinc/56/10/40/1008561040.db2.gz XOAVJELQHMEXLQ-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001453653467 1008643263 /nfs/dbraw/zinc/64/32/63/1008643263.db2.gz JNWWDGMKRGFZOV-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001421649936 1008872784 /nfs/dbraw/zinc/87/27/84/1008872784.db2.gz CXXFMRRQFHTTNT-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001442059320 1008901823 /nfs/dbraw/zinc/90/18/23/1008901823.db2.gz DMEHCEJJTVMDQX-CYBMUJFWSA-N 1 3 320.437 0.720 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001421707517 1008965599 /nfs/dbraw/zinc/96/55/99/1008965599.db2.gz KOCJDEBDMOLBEC-BFHYXJOUSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1nccn1C ZINC001421720657 1008981013 /nfs/dbraw/zinc/98/10/13/1008981013.db2.gz BFGBSTYOBGDEIX-ZIAGYGMSSA-N 1 3 307.442 0.604 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001421750025 1009029155 /nfs/dbraw/zinc/02/91/55/1009029155.db2.gz BOVSGXHZBGWAIW-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C(C)(C)C ZINC001442176904 1009057708 /nfs/dbraw/zinc/05/77/08/1009057708.db2.gz NIOUNOGLDRSREZ-NWDGAFQWSA-N 1 3 300.447 0.321 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001421770142 1009062271 /nfs/dbraw/zinc/06/22/71/1009062271.db2.gz RHOYIJIJUFETRK-STQMWFEESA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001442260129 1009143469 /nfs/dbraw/zinc/14/34/69/1009143469.db2.gz MDUFSHOYQMDFFC-YMAMQOFZSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001421848812 1009163335 /nfs/dbraw/zinc/16/33/35/1009163335.db2.gz QESYZSDZSBKYFS-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001442353981 1009209953 /nfs/dbraw/zinc/20/99/53/1009209953.db2.gz OHCKGAZPVVSUPX-GFCCVEGCSA-N 1 3 308.430 0.284 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001421948821 1009300575 /nfs/dbraw/zinc/30/05/75/1009300575.db2.gz XQPFHALRJGRJDM-OLZOCXBDSA-N 1 3 314.474 0.665 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O)CC1 ZINC001421964636 1009325089 /nfs/dbraw/zinc/32/50/89/1009325089.db2.gz JEGODYNOHWSZHR-CHWSQXEVSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1)C(N)=O ZINC001422025844 1009410735 /nfs/dbraw/zinc/41/07/35/1009410735.db2.gz GXJCXIQJVNSQSB-OCCSQVGLSA-N 1 3 312.458 0.467 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)[C@@H](C)C1 ZINC001422030825 1009416257 /nfs/dbraw/zinc/41/62/57/1009416257.db2.gz NXBKGEFXPMVOOV-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)[C@@H](C)C1 ZINC001422036281 1009422148 /nfs/dbraw/zinc/42/21/48/1009422148.db2.gz XVEKBFIIUDELAE-DZGCQCFKSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1cncn1C ZINC001422038336 1009424655 /nfs/dbraw/zinc/42/46/55/1009424655.db2.gz GGSBIJVFEJNZRX-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001442524551 1009441345 /nfs/dbraw/zinc/44/13/45/1009441345.db2.gz JJXLJBGYIFUBSE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001442533387 1009448403 /nfs/dbraw/zinc/44/84/03/1009448403.db2.gz AORGDOCETBFYLQ-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001442533387 1009448410 /nfs/dbraw/zinc/44/84/10/1009448410.db2.gz AORGDOCETBFYLQ-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCNC1=O ZINC001422093141 1009481549 /nfs/dbraw/zinc/48/15/49/1009481549.db2.gz GURGYDZKJOFDJB-UONOGXRCSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1CCn1cncn1 ZINC001422118401 1009509151 /nfs/dbraw/zinc/50/91/51/1009509151.db2.gz CRJFNWBSUGSLMD-UONOGXRCSA-N 1 3 308.430 0.199 20 0 DCADHO CC(C)[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC(N)=O ZINC001422133484 1009530123 /nfs/dbraw/zinc/53/01/23/1009530123.db2.gz HMHKPQMDHMVKLS-HNNXBMFYSA-N 1 3 320.437 0.578 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001434089738 1009548728 /nfs/dbraw/zinc/54/87/28/1009548728.db2.gz ILMPTGXCJPHLGF-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001434089738 1009548737 /nfs/dbraw/zinc/54/87/37/1009548737.db2.gz ILMPTGXCJPHLGF-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001422354413 1009938072 /nfs/dbraw/zinc/93/80/72/1009938072.db2.gz QHAKSZRXCASADE-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001455891506 1010025643 /nfs/dbraw/zinc/02/56/43/1010025643.db2.gz MQLJQSPBJKOSLN-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@H]1C(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001455891506 1010025656 /nfs/dbraw/zinc/02/56/56/1010025656.db2.gz MQLJQSPBJKOSLN-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CCNS(=O)(=O)[C@H]1CCN(CC2CC[NH+](CC)CC2)C1 ZINC001434525306 1010059033 /nfs/dbraw/zinc/05/90/33/1010059033.db2.gz NVBCBQOKNHKPJB-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)Cc1c[nH]cn1 ZINC001456120524 1010099878 /nfs/dbraw/zinc/09/98/78/1010099878.db2.gz LHGCAYAWLKYAIX-CYBMUJFWSA-N 1 3 321.425 0.211 20 0 DCADHO CC[C@H]([NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001443076435 1010108706 /nfs/dbraw/zinc/10/87/06/1010108706.db2.gz GEXSEVAQZQEWDF-LBPRGKRZSA-N 1 3 300.447 0.276 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(C(C)C)C1=O)C(=O)CN1CCCC1 ZINC001422457064 1010112330 /nfs/dbraw/zinc/11/23/30/1010112330.db2.gz GNEFVJRAEULHBH-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001422466178 1010126807 /nfs/dbraw/zinc/12/68/07/1010126807.db2.gz WWLDFZPNDMYSBY-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001422466178 1010126814 /nfs/dbraw/zinc/12/68/14/1010126814.db2.gz WWLDFZPNDMYSBY-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001456297233 1010175893 /nfs/dbraw/zinc/17/58/93/1010175893.db2.gz LHQMHQKRQBWMSY-OKILXGFUSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001456297233 1010175895 /nfs/dbraw/zinc/17/58/95/1010175895.db2.gz LHQMHQKRQBWMSY-OKILXGFUSA-N 1 3 324.469 0.526 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001443258631 1010270410 /nfs/dbraw/zinc/27/04/10/1010270410.db2.gz ZKZIEJMCVZIYPR-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001443258631 1010270420 /nfs/dbraw/zinc/27/04/20/1010270420.db2.gz ZKZIEJMCVZIYPR-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1cc(CO)ccc1F)NC(=O)CC[NH+](C)C ZINC001422555245 1010289547 /nfs/dbraw/zinc/28/95/47/1010289547.db2.gz XMJAPBWTUZQUOY-GFCCVEGCSA-N 1 3 311.401 0.864 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001443362860 1010367489 /nfs/dbraw/zinc/36/74/89/1010367489.db2.gz MTTVJSWUENBVAE-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001443362860 1010367496 /nfs/dbraw/zinc/36/74/96/1010367496.db2.gz MTTVJSWUENBVAE-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC001422608732 1010399593 /nfs/dbraw/zinc/39/95/93/1010399593.db2.gz SHUXUPZZJOITMV-CQSZACIVSA-N 1 3 322.453 0.662 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC001422608732 1010399602 /nfs/dbraw/zinc/39/96/02/1010399602.db2.gz SHUXUPZZJOITMV-CQSZACIVSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001422645526 1010449181 /nfs/dbraw/zinc/44/91/81/1010449181.db2.gz HMBSRVWRFVBJOF-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCCCN1CCn1cncn1 ZINC001422703226 1010500993 /nfs/dbraw/zinc/50/09/93/1010500993.db2.gz QHRVZHRBOJMFNW-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO CCn1cc(CCN2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)cn1 ZINC001422730921 1010538406 /nfs/dbraw/zinc/53/84/06/1010538406.db2.gz HPBWFPWDWHITLP-CQSZACIVSA-N 1 3 321.469 0.834 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)C[C@H]1CCc2ncnn21 ZINC001422904582 1010723919 /nfs/dbraw/zinc/72/39/19/1010723919.db2.gz YQULQKNJOKHHGH-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)C[C@H]1CCc2ncnn21 ZINC001422904582 1010723922 /nfs/dbraw/zinc/72/39/22/1010723922.db2.gz YQULQKNJOKHHGH-ZIAGYGMSSA-N 1 3 322.457 0.544 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001422988884 1010790268 /nfs/dbraw/zinc/79/02/68/1010790268.db2.gz GHCBXNPEOSVGBU-OCCSQVGLSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001444107353 1010857869 /nfs/dbraw/zinc/85/78/69/1010857869.db2.gz DFJIBYOZSGGFIQ-CZUORRHYSA-N 1 3 310.442 0.219 20 0 DCADHO Cc1nc([C@H](C)N[C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001423145962 1010923617 /nfs/dbraw/zinc/92/36/17/1010923617.db2.gz ITSLGFMRSMSYLS-NEPJUHHUSA-N 1 3 320.441 0.706 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1([NH2+][C@H]2CCNC2=O)CCCC1)N(C)C ZINC001444504111 1011044185 /nfs/dbraw/zinc/04/41/85/1011044185.db2.gz KHSAQVITVPYRJO-KBPBESRZSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1[C@@H]2CCC[C@H]1CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001423317345 1011072540 /nfs/dbraw/zinc/07/25/40/1011072540.db2.gz FLFCMLCJGJBAID-AVOUXACISA-N 1 3 324.469 0.702 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001444662933 1011121616 /nfs/dbraw/zinc/12/16/16/1011121616.db2.gz HZFQUXFSDMUWDO-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001444662933 1011121619 /nfs/dbraw/zinc/12/16/19/1011121619.db2.gz HZFQUXFSDMUWDO-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)N(C)C(=O)CC[NH+](C)C ZINC001444666192 1011122109 /nfs/dbraw/zinc/12/21/09/1011122109.db2.gz MSVLSGASPSLQQO-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001423409253 1011128900 /nfs/dbraw/zinc/12/89/00/1011128900.db2.gz LKTHATMMCHIUEV-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001444783893 1011172039 /nfs/dbraw/zinc/17/20/39/1011172039.db2.gz JBPRRMYGMWKFTP-CQSZACIVSA-N 1 3 322.453 0.222 20 0 DCADHO CN(C[C@@H](O)CNCc1cncs1)C(=O)CC[NH+](C)C ZINC001423472252 1011172339 /nfs/dbraw/zinc/17/23/39/1011172339.db2.gz PPCYSXSKZRYDLQ-NSHDSACASA-N 1 3 300.428 0.004 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001444799355 1011175626 /nfs/dbraw/zinc/17/56/26/1011175626.db2.gz LPWQATKCHDNHTJ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(NCC1(NCCF)CCOCC1)C12CCC[NH+]1CCC2 ZINC001423710829 1011442360 /nfs/dbraw/zinc/44/23/60/1011442360.db2.gz BXNZXRYAPDDMLT-UHFFFAOYSA-N 1 3 313.417 0.839 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001445200430 1011513176 /nfs/dbraw/zinc/51/31/76/1011513176.db2.gz TUPVVRCRRRNBFT-CQSZACIVSA-N 1 3 311.470 0.974 20 0 DCADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)CN1CCCC1 ZINC001431663085 1011514993 /nfs/dbraw/zinc/51/49/93/1011514993.db2.gz FFGQPKXFHZJLHI-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001445472188 1011800991 /nfs/dbraw/zinc/80/09/91/1011800991.db2.gz FRYWIZWMSZHXMH-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CNC[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001445472188 1011801007 /nfs/dbraw/zinc/80/10/07/1011801007.db2.gz FRYWIZWMSZHXMH-TZMCWYRMSA-N 1 3 305.426 0.721 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445569920 1011944610 /nfs/dbraw/zinc/94/46/10/1011944610.db2.gz HGDYKXSSUCYLII-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445569920 1011944623 /nfs/dbraw/zinc/94/46/23/1011944623.db2.gz HGDYKXSSUCYLII-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO CCn1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)nn1 ZINC001424070022 1011945619 /nfs/dbraw/zinc/94/56/19/1011945619.db2.gz QKFYWBOCEWSYEJ-UONOGXRCSA-N 1 3 322.457 0.434 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001553445575 1011981633 /nfs/dbraw/zinc/98/16/33/1011981633.db2.gz NZHIOBULURBACB-ZMSDIMECSA-N 1 3 322.453 0.777 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC001553452201 1011990632 /nfs/dbraw/zinc/99/06/32/1011990632.db2.gz UQBLAKVWZCUJPB-BZUAXINKSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001445605583 1011993542 /nfs/dbraw/zinc/99/35/42/1011993542.db2.gz MEHZQIMTYZHPPS-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553494951 1012025138 /nfs/dbraw/zinc/02/51/38/1012025138.db2.gz URQXFLAMENDWGX-KKUMJFAQSA-N 1 3 310.442 0.369 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1C[C@@]23C[NH2+]C[C@]2(C1)CCCC3 ZINC001553506246 1012046615 /nfs/dbraw/zinc/04/66/15/1012046615.db2.gz UPTQYAQMYLCFOO-CWRNSKLLSA-N 1 3 308.426 0.150 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)C(=O)[C@H]1CCCN1C ZINC001424296634 1012325120 /nfs/dbraw/zinc/32/51/20/1012325120.db2.gz VJLZZXYLJGVLQF-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1 ZINC001445986994 1012490381 /nfs/dbraw/zinc/49/03/81/1012490381.db2.gz NMNLUHCTJWXGOT-AWEZNQCLSA-N 1 3 310.442 0.077 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424487729 1012566382 /nfs/dbraw/zinc/56/63/82/1012566382.db2.gz SABRPESKKKVUEG-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC1([NH2+]CC(=O)N2CCC2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001424496209 1012582631 /nfs/dbraw/zinc/58/26/31/1012582631.db2.gz WAJQHTJQEVOKSP-UHFFFAOYSA-N 1 3 319.409 0.155 20 0 DCADHO CN(C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCO2)c1ccccc1 ZINC001548550733 1012701220 /nfs/dbraw/zinc/70/12/20/1012701220.db2.gz WZEBAKFKINXUCX-VYDXJSESSA-N 1 3 303.406 0.784 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CN1C1CC1 ZINC001548555289 1012706419 /nfs/dbraw/zinc/70/64/19/1012706419.db2.gz OTNDFZYMONSCGH-VXGBXAGGSA-N 1 3 306.410 0.626 20 0 DCADHO CN1CCNC[C@@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC001548561559 1012716339 /nfs/dbraw/zinc/71/63/39/1012716339.db2.gz AUCJPPBORROVDU-UWRLEFKFSA-N 1 3 306.454 0.160 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001446302968 1012736097 /nfs/dbraw/zinc/73/60/97/1012736097.db2.gz ZWBIJSXPSSWGMI-CQSZACIVSA-N 1 3 322.453 0.379 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NCC3=CC[NH2+]CC3)ccc2NC1=O ZINC001521518780 1017392640 /nfs/dbraw/zinc/39/26/40/1017392640.db2.gz IGPHLBGPDURLEN-AWEZNQCLSA-N 1 3 314.389 0.548 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CN(CCn2cccn2)CC1(C)C ZINC001506750530 1017508149 /nfs/dbraw/zinc/50/81/49/1017508149.db2.gz ZRGJYCRYRIVISB-AWEZNQCLSA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001506794207 1017556535 /nfs/dbraw/zinc/55/65/35/1017556535.db2.gz PBKDXGMLURPJNH-YIYPIFLZSA-N 1 3 322.453 0.029 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001506794207 1017556545 /nfs/dbraw/zinc/55/65/45/1017556545.db2.gz PBKDXGMLURPJNH-YIYPIFLZSA-N 1 3 322.453 0.029 20 0 DCADHO CC(C)[C@H](C(=O)NCCCN(C)[C@H]1CCN(C)C1=O)[NH+](C)C ZINC001479794076 1017772962 /nfs/dbraw/zinc/77/29/62/1017772962.db2.gz CLOHPPBZXAFZMI-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479832464 1017840102 /nfs/dbraw/zinc/84/01/02/1017840102.db2.gz XDXCVCSDJQDMFA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO COCC[N@H+](CCCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001499538816 1017964539 /nfs/dbraw/zinc/96/45/39/1017964539.db2.gz PGFLOOBUCPFCOZ-UHFFFAOYSA-N 1 3 324.425 0.274 20 0 DCADHO COCC[N@@H+](CCCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001499538816 1017964547 /nfs/dbraw/zinc/96/45/47/1017964547.db2.gz PGFLOOBUCPFCOZ-UHFFFAOYSA-N 1 3 324.425 0.274 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCN2CCN(CC3CC3)CC2)C1 ZINC001479940565 1018011288 /nfs/dbraw/zinc/01/12/88/1018011288.db2.gz WQRRCZRCNUUKJX-MRXNPFEDSA-N 1 3 308.470 0.472 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCN2CCN(CC3CC3)CC2)C1 ZINC001479940565 1018011301 /nfs/dbraw/zinc/01/13/01/1018011301.db2.gz WQRRCZRCNUUKJX-MRXNPFEDSA-N 1 3 308.470 0.472 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001497394632 1018109151 /nfs/dbraw/zinc/10/91/51/1018109151.db2.gz PYTWZCRLCPMLHI-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001497394632 1018109159 /nfs/dbraw/zinc/10/91/59/1018109159.db2.gz PYTWZCRLCPMLHI-KGLIPLIRSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)NCC(=O)NC ZINC001495087079 1018301663 /nfs/dbraw/zinc/30/16/63/1018301663.db2.gz RIQLQFMLDHQWFG-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cn(C)nc1C ZINC001495106951 1018315932 /nfs/dbraw/zinc/31/59/32/1018315932.db2.gz JDYABNFUDQSJLZ-HIFRSBDPSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cn(C)nc1C ZINC001495106951 1018315947 /nfs/dbraw/zinc/31/59/47/1018315947.db2.gz JDYABNFUDQSJLZ-HIFRSBDPSA-N 1 3 307.442 0.665 20 0 DCADHO COCC[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCOCC1 ZINC001500572039 1018497262 /nfs/dbraw/zinc/49/72/62/1018497262.db2.gz CIZCHGMXSKFMJQ-UHFFFAOYSA-N 1 3 313.442 0.372 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)CC1CC1 ZINC001480462233 1018556812 /nfs/dbraw/zinc/55/68/12/1018556812.db2.gz HRZXGGVQPAEZFV-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)CC1CC1 ZINC001480462233 1018556822 /nfs/dbraw/zinc/55/68/22/1018556822.db2.gz HRZXGGVQPAEZFV-UMVBOHGHSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N2CCCC2)CC[N@@H+]1C ZINC001498045283 1018608369 /nfs/dbraw/zinc/60/83/69/1018608369.db2.gz NNFDHIZXEZWPJQ-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)N2CCCC2)CC[N@H+]1C ZINC001498045283 1018608375 /nfs/dbraw/zinc/60/83/75/1018608375.db2.gz NNFDHIZXEZWPJQ-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001498053821 1018617085 /nfs/dbraw/zinc/61/70/85/1018617085.db2.gz UBSMKFDOWJAYRQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001498053821 1018617092 /nfs/dbraw/zinc/61/70/92/1018617092.db2.gz UBSMKFDOWJAYRQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccnn1C ZINC001480535848 1018636001 /nfs/dbraw/zinc/63/60/01/1018636001.db2.gz ABRBIJDQDAYHHX-UONOGXRCSA-N 1 3 307.442 0.399 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cnnn1C ZINC001495686010 1018649359 /nfs/dbraw/zinc/64/93/59/1018649359.db2.gz ZQNJYHLCJOFZND-GFCCVEGCSA-N 1 3 308.430 0.141 20 0 DCADHO CCc1nc([C@@H](C)NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001498096936 1018649280 /nfs/dbraw/zinc/64/92/80/1018649280.db2.gz TYLCSGMFQUSIDK-NWDGAFQWSA-N 1 3 322.457 0.864 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001498109936 1018659363 /nfs/dbraw/zinc/65/93/63/1018659363.db2.gz QOQUPRPHOKMUBV-NWDGAFQWSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495730196 1018673285 /nfs/dbraw/zinc/67/32/85/1018673285.db2.gz KRMPLQZLTRSILY-KKUMJFAQSA-N 1 3 321.469 0.992 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495730196 1018673291 /nfs/dbraw/zinc/67/32/91/1018673291.db2.gz KRMPLQZLTRSILY-KKUMJFAQSA-N 1 3 321.469 0.992 20 0 DCADHO CCCCNC(=O)[C@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001480575724 1018674641 /nfs/dbraw/zinc/67/46/41/1018674641.db2.gz VXNXCTKKULSKBQ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001495795119 1018699542 /nfs/dbraw/zinc/69/95/42/1018699542.db2.gz GHLCWXPOTJHKMW-GFCCVEGCSA-N 1 3 318.425 0.579 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)CCC[NH+](C)C)C1 ZINC001498234854 1018794635 /nfs/dbraw/zinc/79/46/35/1018794635.db2.gz PAOMXKMEYFWCCR-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001501070584 1018862961 /nfs/dbraw/zinc/86/29/61/1018862961.db2.gz HOMYZTJWVJTEBO-CHWSQXEVSA-N 1 3 321.425 0.305 20 0 DCADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001480793068 1018916913 /nfs/dbraw/zinc/91/69/13/1018916913.db2.gz XYFYGVABCODPOV-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@@H](C[N@H+](C)CCn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001498311883 1018936338 /nfs/dbraw/zinc/93/63/38/1018936338.db2.gz GVJXFSUOWKMBGJ-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H](C[N@@H+](C)CCn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001498311883 1018936346 /nfs/dbraw/zinc/93/63/46/1018936346.db2.gz GVJXFSUOWKMBGJ-AWEZNQCLSA-N 1 3 307.442 0.804 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001480825451 1018949874 /nfs/dbraw/zinc/94/98/74/1018949874.db2.gz AEQOKXQRIQEQLX-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCN1C ZINC001480825451 1018949878 /nfs/dbraw/zinc/94/98/78/1018949878.db2.gz AEQOKXQRIQEQLX-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCc1cccc(C(N)=O)c1)N(C)C(=O)CC[NH+](C)C ZINC001496151767 1019115677 /nfs/dbraw/zinc/11/56/77/1019115677.db2.gz WUVWFZAQOYARER-CYBMUJFWSA-N 1 3 320.437 0.674 20 0 DCADHO C[C@H](NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001498526760 1019194401 /nfs/dbraw/zinc/19/44/01/1019194401.db2.gz YVGUFCNALHCRQQ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)[C@H](C)C1 ZINC001496369064 1019272335 /nfs/dbraw/zinc/27/23/35/1019272335.db2.gz PQTJCJKXFKWOFS-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001498805432 1019441875 /nfs/dbraw/zinc/44/18/75/1019441875.db2.gz ZIWARGIFXRBXPS-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCN(CC)C2=O)CC[N@@H+]1C ZINC001493551644 1019515393 /nfs/dbraw/zinc/51/53/93/1019515393.db2.gz QZMFTEBCHAPRGI-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H]2CCN(CC)C2=O)CC[N@H+]1C ZINC001493551644 1019515402 /nfs/dbraw/zinc/51/54/02/1019515402.db2.gz QZMFTEBCHAPRGI-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)Cc1c[nH]cn1 ZINC001496815799 1019661919 /nfs/dbraw/zinc/66/19/19/1019661919.db2.gz RWLJJGLFAKKPQG-UHFFFAOYSA-N 1 3 321.425 0.259 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493725774 1019663621 /nfs/dbraw/zinc/66/36/21/1019663621.db2.gz MYJNJSIRSZYTJU-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493725774 1019663629 /nfs/dbraw/zinc/66/36/29/1019663629.db2.gz MYJNJSIRSZYTJU-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793307 1019715814 /nfs/dbraw/zinc/71/58/14/1019715814.db2.gz GITQDZCXZBAULA-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793307 1019715832 /nfs/dbraw/zinc/71/58/32/1019715832.db2.gz GITQDZCXZBAULA-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnnn1C ZINC001496922580 1019763451 /nfs/dbraw/zinc/76/34/51/1019763451.db2.gz IYZOQGTZOZANOO-DZGCQCFKSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@H](O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001493902385 1019804627 /nfs/dbraw/zinc/80/46/27/1019804627.db2.gz BSBYMKUFCHAMOJ-HOCLYGCPSA-N 1 3 317.433 0.910 20 0 DCADHO CCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000182167276 199396243 /nfs/dbraw/zinc/39/62/43/199396243.db2.gz ARVKXVMPFCPFDZ-HNNXBMFYSA-N 1 3 319.453 0.919 20 0 DCADHO CC1CCN(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000236846682 202035939 /nfs/dbraw/zinc/03/59/39/202035939.db2.gz OKUUAVYDZQGOJH-UHFFFAOYSA-N 1 3 320.441 0.664 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@H+](C)CCOC)C1(C)C ZINC000188092095 200192360 /nfs/dbraw/zinc/19/23/60/200192360.db2.gz MZUUFMOQDBOBAF-CZUORRHYSA-N 1 3 315.458 0.603 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@@H+](C)CCOC)C1(C)C ZINC000188092095 200192362 /nfs/dbraw/zinc/19/23/62/200192362.db2.gz MZUUFMOQDBOBAF-CZUORRHYSA-N 1 3 315.458 0.603 20 0 DCADHO N[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@H]1c1ccccc1F ZINC000566207544 291282536 /nfs/dbraw/zinc/28/25/36/291282536.db2.gz GWPRBMFYWDMBFM-GOEBONIOSA-N 1 3 321.396 0.847 20 0 DCADHO CN1CCN(CC2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000566251337 291288658 /nfs/dbraw/zinc/28/86/58/291288658.db2.gz MXRCQWUJFBDXNL-INIZCTEOSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000566508007 291310199 /nfs/dbraw/zinc/31/01/99/291310199.db2.gz DVUBIGLKBIUASD-CABCVRRESA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000566511896 291310472 /nfs/dbraw/zinc/31/04/72/291310472.db2.gz CSJKQVMZSZHMCD-JSGCOSHPSA-N 1 3 310.442 0.077 20 0 DCADHO O=c1n2ccccc2nn1CCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332079 240021003 /nfs/dbraw/zinc/02/10/03/240021003.db2.gz RGPFCNGSEOYAEL-HUUCEWRRSA-N 1 3 315.421 0.818 20 0 DCADHO CN(C)c1ncc(CN(C)CCCN(C)CC[NH+](C)C)n1C ZINC000425380949 240337454 /nfs/dbraw/zinc/33/74/54/240337454.db2.gz MFAIMQWYHGXSIC-UHFFFAOYSA-N 1 3 310.490 0.801 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CC[C@](C)(C(=O)NC)C2)CC1 ZINC000430283436 240390074 /nfs/dbraw/zinc/39/00/74/240390074.db2.gz JNKGMEJXQGWGNZ-INIZCTEOSA-N 1 3 310.442 0.045 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459255730 241056616 /nfs/dbraw/zinc/05/66/16/241056616.db2.gz IKGMVNNKOQVVDJ-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459255730 241056620 /nfs/dbraw/zinc/05/66/20/241056620.db2.gz IKGMVNNKOQVVDJ-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000567743506 291374810 /nfs/dbraw/zinc/37/48/10/291374810.db2.gz QZTGITCXFSJWPE-CQSZACIVSA-N 1 3 310.442 0.126 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339579968 253109042 /nfs/dbraw/zinc/10/90/42/253109042.db2.gz DBFVTBJDMIYLLO-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000339672635 253124426 /nfs/dbraw/zinc/12/44/26/253124426.db2.gz RHSJJSGWLSQFFR-ZDUSSCGKSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@]1(C)CCCO1 ZINC000340472469 253259529 /nfs/dbraw/zinc/25/95/29/253259529.db2.gz BURZFCVJLRWXJA-IRXDYDNUSA-N 1 3 313.486 0.924 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340805354 253307412 /nfs/dbraw/zinc/30/74/12/253307412.db2.gz VCZMFEKRSQJGIX-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000340805354 253307413 /nfs/dbraw/zinc/30/74/13/253307413.db2.gz VCZMFEKRSQJGIX-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000346125454 254014494 /nfs/dbraw/zinc/01/44/94/254014494.db2.gz ZJKGOZAVGBNTPF-KCQAQPDRSA-N 1 3 322.453 0.328 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000346125454 254014497 /nfs/dbraw/zinc/01/44/97/254014497.db2.gz ZJKGOZAVGBNTPF-KCQAQPDRSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CN(C)C)NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000346147464 254016447 /nfs/dbraw/zinc/01/64/47/254016447.db2.gz WRLHMOWHMQDUCO-XJFOESAGSA-N 1 3 314.474 0.391 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346147464 254016449 /nfs/dbraw/zinc/01/64/49/254016449.db2.gz WRLHMOWHMQDUCO-XJFOESAGSA-N 1 3 314.474 0.391 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000346992278 254119639 /nfs/dbraw/zinc/11/96/39/254119639.db2.gz ANWWFWLBMMUHIO-CYBMUJFWSA-N 1 3 305.378 0.702 20 0 DCADHO O=C(NCC1CCN(CCO)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000349722194 254294572 /nfs/dbraw/zinc/29/45/72/254294572.db2.gz KKFWXIMQEKHVIY-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NCC1CCN(CCO)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000349722194 254294574 /nfs/dbraw/zinc/29/45/74/254294574.db2.gz KKFWXIMQEKHVIY-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(CCOC1C[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000349006922 254269399 /nfs/dbraw/zinc/26/93/99/254269399.db2.gz UIJNEERTNWYGCA-OAHLLOKOSA-N 1 3 303.406 0.756 20 0 DCADHO C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC[C@H]1C ZINC000351534670 254344071 /nfs/dbraw/zinc/34/40/71/254344071.db2.gz DICIGVCHKPODFQ-MCIONIFRSA-N 1 3 310.442 0.234 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419986096 285233089 /nfs/dbraw/zinc/23/30/89/285233089.db2.gz XEPVYIGILHSNAQ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)Cc1ccccc1 ZINC000123259389 395893113 /nfs/dbraw/zinc/89/31/13/395893113.db2.gz RESRTUIIJUVWCY-QGZVFWFLSA-N 1 3 322.453 0.730 20 0 DCADHO C[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]C1 ZINC000237796153 395919007 /nfs/dbraw/zinc/91/90/07/395919007.db2.gz JZZZHYRFKCGJDQ-KRWDZBQOSA-N 1 3 322.453 0.143 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000228476891 395872070 /nfs/dbraw/zinc/87/20/70/395872070.db2.gz IEJHHYTUFBSEPU-LXTVHRRPSA-N 1 3 315.483 0.717 20 0 DCADHO CC[N@H+](CCO)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000274635277 395963123 /nfs/dbraw/zinc/96/31/23/395963123.db2.gz IXRBJYLQMPPGMQ-UHFFFAOYSA-N 1 3 322.453 0.732 20 0 DCADHO CC[N@@H+](CCO)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000274635277 395963126 /nfs/dbraw/zinc/96/31/26/395963126.db2.gz IXRBJYLQMPPGMQ-UHFFFAOYSA-N 1 3 322.453 0.732 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C)[C@H](C)C1 ZINC000154290229 396036089 /nfs/dbraw/zinc/03/60/89/396036089.db2.gz LYFUSKHIHQDJHZ-OWCLPIDISA-N 1 3 301.475 0.636 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000154679212 396041519 /nfs/dbraw/zinc/04/15/19/396041519.db2.gz PPEZLXSXHXIWQF-UHFFFAOYSA-N 1 3 316.449 0.802 20 0 DCADHO CN1CCC[C@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000155050264 396045988 /nfs/dbraw/zinc/04/59/88/396045988.db2.gz GARJEULOGJWRNE-AWEZNQCLSA-N 1 3 306.410 0.846 20 0 DCADHO COC(=O)c1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261615977 396049322 /nfs/dbraw/zinc/04/93/22/396049322.db2.gz AFDUCGMRGALVJF-HNNXBMFYSA-N 1 3 319.405 0.760 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)O1 ZINC000261671942 396054659 /nfs/dbraw/zinc/05/46/59/396054659.db2.gz GJLBMUGAOAVMBJ-BARDWOONSA-N 1 3 313.442 0.498 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262066662 396095154 /nfs/dbraw/zinc/09/51/54/396095154.db2.gz FNHPLPDVEFEPSU-ZFWWWQNUSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000262101600 396099002 /nfs/dbraw/zinc/09/90/02/396099002.db2.gz IXPHTHOLZKWCRI-AWEZNQCLSA-N 1 3 312.458 0.467 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278933453 396141932 /nfs/dbraw/zinc/14/19/32/396141932.db2.gz FJWSNRFYGVBCFJ-QWHCGFSZSA-N 1 3 305.426 0.900 20 0 DCADHO C[C@@H](C[NH3+])C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000262454337 396141948 /nfs/dbraw/zinc/14/19/48/396141948.db2.gz WGUDGFADBDLJSN-JTQLQIEISA-N 1 3 306.366 0.689 20 0 DCADHO O=C(CCN1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCNCC1 ZINC000262152318 396104464 /nfs/dbraw/zinc/10/44/64/396104464.db2.gz PHQFLJWUCVDWNV-MRXNPFEDSA-N 1 3 308.470 0.759 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000073103803 396142271 /nfs/dbraw/zinc/14/22/71/396142271.db2.gz DDGYYUIRDVJHQG-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000073103803 396142275 /nfs/dbraw/zinc/14/22/75/396142275.db2.gz DDGYYUIRDVJHQG-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000171196171 396110076 /nfs/dbraw/zinc/11/00/76/396110076.db2.gz VVNBQXGZRNJJCV-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000171196171 396110078 /nfs/dbraw/zinc/11/00/78/396110078.db2.gz VVNBQXGZRNJJCV-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000262344903 396127760 /nfs/dbraw/zinc/12/77/60/396127760.db2.gz TWVGHWNPBMCYDD-OKILXGFUSA-N 1 3 309.435 0.588 20 0 DCADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262441310 396140372 /nfs/dbraw/zinc/14/03/72/396140372.db2.gz CSDKQZHQHQEMMS-GZBFAFLISA-N 1 3 323.462 0.799 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000178874272 396212914 /nfs/dbraw/zinc/21/29/14/396212914.db2.gz XSQRVTVWDNHYKL-HNNXBMFYSA-N 1 3 310.486 0.766 20 0 DCADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCN2CCC[C@H]2C1 ZINC000262774204 396180828 /nfs/dbraw/zinc/18/08/28/396180828.db2.gz MSMBHNBSGXGAKO-KGLIPLIRSA-N 1 3 303.410 0.728 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269244931 396399279 /nfs/dbraw/zinc/39/92/79/396399279.db2.gz DCDLHROJRQVTEU-MRXNPFEDSA-N 1 3 304.438 0.483 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000269246009 396399632 /nfs/dbraw/zinc/39/96/32/396399632.db2.gz DMYPZJYIUJAMDN-GOEBONIOSA-N 1 3 321.421 0.009 20 0 DCADHO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000372332340 396508187 /nfs/dbraw/zinc/50/81/87/396508187.db2.gz KWWNHYCHQNLETJ-MRXNPFEDSA-N 1 3 320.437 0.560 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccnc(N)c2)CC1 ZINC000193422157 396450855 /nfs/dbraw/zinc/45/08/55/396450855.db2.gz ZIOAEAILJHXBRX-UHFFFAOYSA-N 1 3 305.426 0.554 20 0 DCADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](C)C1 ZINC000581777579 396583300 /nfs/dbraw/zinc/58/33/00/396583300.db2.gz WTZKLEZBBHHXOK-XUWVNRHRSA-N 1 3 324.469 0.737 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])CN1CCN(C)CC1 ZINC000581882539 396589716 /nfs/dbraw/zinc/58/97/16/396589716.db2.gz ZUWHPWQUQLLAMD-OWCLPIDISA-N 1 3 310.486 0.894 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C[C@H](O)C[N@H+](C)C3CC3)C2)CC1 ZINC000582329353 396604185 /nfs/dbraw/zinc/60/41/85/396604185.db2.gz MXHVAHGYDJPJCV-QZTJIDSGSA-N 1 3 324.513 0.542 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)C2)CC1 ZINC000582329353 396604186 /nfs/dbraw/zinc/60/41/86/396604186.db2.gz MXHVAHGYDJPJCV-QZTJIDSGSA-N 1 3 324.513 0.542 20 0 DCADHO C[C@H](NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000583625075 396611997 /nfs/dbraw/zinc/61/19/97/396611997.db2.gz DXJMOQZHFNEXQW-DOTOQJQBSA-N 1 3 322.497 0.908 20 0 DCADHO C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@@H]1N1CCN(C)CC1 ZINC000584731042 396619164 /nfs/dbraw/zinc/61/91/64/396619164.db2.gz FNORJILLPZWPAH-KKUMJFAQSA-N 1 3 309.458 0.016 20 0 DCADHO CCCNC(=O)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901528 396679578 /nfs/dbraw/zinc/67/95/78/396679578.db2.gz XUVGRRNXZBHFHW-CQSZACIVSA-N 1 3 310.442 0.934 20 0 DCADHO CN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](CN)C1 ZINC000562808909 396680565 /nfs/dbraw/zinc/68/05/65/396680565.db2.gz XSLYAVLZSUBDFF-INIZCTEOSA-N 1 3 323.485 0.678 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000562815209 396681032 /nfs/dbraw/zinc/68/10/32/396681032.db2.gz WUTUXLKQAGOSHP-HNNXBMFYSA-N 1 3 314.474 0.767 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CCCO1 ZINC000562815430 396681339 /nfs/dbraw/zinc/68/13/39/396681339.db2.gz MILPSBFJCRLJFY-HOCLYGCPSA-N 1 3 318.421 0.633 20 0 DCADHO CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000300710394 396715762 /nfs/dbraw/zinc/71/57/62/396715762.db2.gz OFHYNSQLQCYEDK-BFHYXJOUSA-N 1 3 303.472 0.826 20 0 DCADHO CS(=O)(=O)NCCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300710394 396715763 /nfs/dbraw/zinc/71/57/63/396715763.db2.gz OFHYNSQLQCYEDK-BFHYXJOUSA-N 1 3 303.472 0.826 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629535285 396779161 /nfs/dbraw/zinc/77/91/61/396779161.db2.gz CQJBVMXVKQUWMB-MELADBBJSA-N 1 3 319.471 0.096 20 0 DCADHO Cn1nccc1[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000629579156 396796630 /nfs/dbraw/zinc/79/66/30/396796630.db2.gz APVUFIXXHHNPRC-FMKPAKJESA-N 1 3 308.426 0.687 20 0 DCADHO CN(C)CCOC1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634259617 396822742 /nfs/dbraw/zinc/82/27/42/396822742.db2.gz NAJNQKHVXJPHME-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@H](N2CCCC2)C1 ZINC000564447203 396834719 /nfs/dbraw/zinc/83/47/19/396834719.db2.gz WWXSWTKRWJOAOL-OLZOCXBDSA-N 1 3 303.410 0.797 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000629804047 396841816 /nfs/dbraw/zinc/84/18/16/396841816.db2.gz RWHFGRBWDYWCIT-HIFRSBDPSA-N 1 3 322.453 0.269 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000629804047 396841821 /nfs/dbraw/zinc/84/18/21/396841821.db2.gz RWHFGRBWDYWCIT-HIFRSBDPSA-N 1 3 322.453 0.269 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000375976894 396853444 /nfs/dbraw/zinc/85/34/44/396853444.db2.gz WEYUGQHBQSQAGO-HZPDHXFCSA-N 1 3 302.422 0.063 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331474973 396870905 /nfs/dbraw/zinc/87/09/05/396870905.db2.gz WONDCXVWHZZOHP-RBSFLKMASA-N 1 3 322.453 0.045 20 0 DCADHO CCOC(=O)C1([C@@H](C)NC[C@H](C)S(C)(=O)=O)CC[NH2+]CC1 ZINC000596654231 396810423 /nfs/dbraw/zinc/81/04/23/396810423.db2.gz IAAIPLJMCRNNTE-NWDGAFQWSA-N 1 3 320.455 0.331 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C ZINC000331721656 396875282 /nfs/dbraw/zinc/87/52/82/396875282.db2.gz TTYQSFXFRBCBAX-TUVASFSCSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1C ZINC000331721656 396875290 /nfs/dbraw/zinc/87/52/90/396875290.db2.gz TTYQSFXFRBCBAX-TUVASFSCSA-N 1 3 322.453 0.328 20 0 DCADHO C[N@@H+]1CCCN(CCCN[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000331981895 396878009 /nfs/dbraw/zinc/87/80/09/396878009.db2.gz LGMYPZLXKXGJTE-CQSZACIVSA-N 1 3 303.472 0.181 20 0 DCADHO C[N@H+]1CCCN(CCCN[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000331981895 396878014 /nfs/dbraw/zinc/87/80/14/396878014.db2.gz LGMYPZLXKXGJTE-CQSZACIVSA-N 1 3 303.472 0.181 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000332571206 396888150 /nfs/dbraw/zinc/88/81/50/396888150.db2.gz CSZISPHCNXMYOV-TUVASFSCSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000332571206 396888154 /nfs/dbraw/zinc/88/81/54/396888154.db2.gz CSZISPHCNXMYOV-TUVASFSCSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1CC[C@H](CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)O1 ZINC000634688307 396898910 /nfs/dbraw/zinc/89/89/10/396898910.db2.gz OUUDAEMAPFPPHA-OJLVUWQFSA-N 1 3 322.453 0.774 20 0 DCADHO CS(=O)(=O)N1CCC(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339069772 396955086 /nfs/dbraw/zinc/95/50/86/396955086.db2.gz VRWCYVTUDOUVET-CABCVRRESA-N 1 3 315.483 0.874 20 0 DCADHO CS(=O)(=O)N1CCC(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339069772 396955090 /nfs/dbraw/zinc/95/50/90/396955090.db2.gz VRWCYVTUDOUVET-CABCVRRESA-N 1 3 315.483 0.874 20 0 DCADHO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339069772 396955095 /nfs/dbraw/zinc/95/50/95/396955095.db2.gz VRWCYVTUDOUVET-CABCVRRESA-N 1 3 315.483 0.874 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000611954902 396958702 /nfs/dbraw/zinc/95/87/02/396958702.db2.gz FBAOJQHHUZDUPG-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000611954902 396958706 /nfs/dbraw/zinc/95/87/06/396958706.db2.gz FBAOJQHHUZDUPG-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)COC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000571634329 396971820 /nfs/dbraw/zinc/97/18/20/396971820.db2.gz NNSROHGUQNUKJI-ZACQAIPSSA-N 1 3 314.470 0.987 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000571639546 396971956 /nfs/dbraw/zinc/97/19/56/396971956.db2.gz PFXSEUGCXPSHQU-INIZCTEOSA-N 1 3 320.437 0.791 20 0 DCADHO O=C(COC1CC[NH2+]CC1)Nc1ccc(N2CCNCC2)cn1 ZINC000572520201 397068084 /nfs/dbraw/zinc/06/80/84/397068084.db2.gz APIUWKGJOCZLPR-UHFFFAOYSA-N 1 3 319.409 0.198 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000612552066 397093726 /nfs/dbraw/zinc/09/37/26/397093726.db2.gz SQFLNCTZYJMGOU-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCN(C(C)C)CC2)C1 ZINC000612552066 397093730 /nfs/dbraw/zinc/09/37/30/397093730.db2.gz SQFLNCTZYJMGOU-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000572837051 397101392 /nfs/dbraw/zinc/10/13/92/397101392.db2.gz KYDUYRULHPPOTQ-GJZGRUSLSA-N 1 3 305.426 0.974 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000377582655 397106295 /nfs/dbraw/zinc/10/62/95/397106295.db2.gz GPIKEHUYQCQYAD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H](C)[NH2+]C3CC3)C2)CC1 ZINC000592218999 397135288 /nfs/dbraw/zinc/13/52/88/397135288.db2.gz CTFNLGPGMGHZME-GDBMZVCRSA-N 1 3 308.470 0.754 20 0 DCADHO COCCN(C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377769881 397139121 /nfs/dbraw/zinc/13/91/21/397139121.db2.gz OXDOHNQJKVNEGU-OAHLLOKOSA-N 1 3 303.422 0.893 20 0 DCADHO COCCN(C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377769881 397139126 /nfs/dbraw/zinc/13/91/26/397139126.db2.gz OXDOHNQJKVNEGU-OAHLLOKOSA-N 1 3 303.422 0.893 20 0 DCADHO CCN1CCN(CCCCNC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612867954 397152420 /nfs/dbraw/zinc/15/24/20/397152420.db2.gz JMUIRHZUIINLTG-MRXNPFEDSA-N 1 3 311.474 0.455 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCSC1 ZINC000612977860 397169072 /nfs/dbraw/zinc/16/90/72/397169072.db2.gz SSIPSDVZUQALDY-DOMZBBRYSA-N 1 3 312.483 0.865 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000573460351 397171162 /nfs/dbraw/zinc/17/11/62/397171162.db2.gz SZCWESHHCAMPQZ-GXTWGEPZSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000573494900 397173984 /nfs/dbraw/zinc/17/39/84/397173984.db2.gz SNEIXVYILBQQPC-PMPSAXMXSA-N 1 3 310.486 0.987 20 0 DCADHO CC(C)[NH+](CCCNC(=O)N1CCN(C)C[C@H]1CN)C(C)C ZINC000573786486 397205127 /nfs/dbraw/zinc/20/51/27/397205127.db2.gz MUZBMWJLOHXWJS-OAHLLOKOSA-N 1 3 313.490 0.780 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389962392 397298316 /nfs/dbraw/zinc/29/83/16/397298316.db2.gz WHPXCTXMHKBMSA-KBMXLJTQSA-N 1 3 305.422 0.987 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CCC[NH3+] ZINC000574809720 397301736 /nfs/dbraw/zinc/30/17/36/397301736.db2.gz RBQIQFJBOMQYST-UHFFFAOYSA-N 1 3 317.459 0.031 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592959836 397304333 /nfs/dbraw/zinc/30/43/33/397304333.db2.gz WXQYMXKUMMAGFK-QWHCGFSZSA-N 1 3 305.426 0.885 20 0 DCADHO CCN(CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000577831485 397362976 /nfs/dbraw/zinc/36/29/76/397362976.db2.gz QQVGKQLFIFPXPM-HNNXBMFYSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N(CC[NH3+])CCO)CN1Cc1ccccc1 ZINC000417878954 397374535 /nfs/dbraw/zinc/37/45/35/397374535.db2.gz RCJMMMTXBOXDKK-GDBMZVCRSA-N 1 3 320.437 0.612 20 0 DCADHO CNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593739117 397436086 /nfs/dbraw/zinc/43/60/86/397436086.db2.gz WVKZUIMWZFXHLU-RVMXOQNASA-N 1 3 312.414 0.049 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCCC2 ZINC000578525307 397448877 /nfs/dbraw/zinc/44/88/77/397448877.db2.gz XBYDUZATXAYCBG-UHFFFAOYSA-N 1 3 307.442 0.785 20 0 DCADHO C[C@H](NC(=O)N(CCN(C)C)CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000578744260 397476569 /nfs/dbraw/zinc/47/65/69/397476569.db2.gz YEBYMPCLBSUNBU-LSDHHAIUSA-N 1 3 313.490 0.509 20 0 DCADHO C[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CCN1C(=O)/C=C/CN(C)C ZINC000491881083 397504514 /nfs/dbraw/zinc/50/45/14/397504514.db2.gz GCGHUJVGYTUEQK-JVFYDIPSSA-N 1 3 322.453 0.281 20 0 DCADHO C[C@H]1CN(C(=O)/C=C\CN(C)C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491881083 397504516 /nfs/dbraw/zinc/50/45/16/397504516.db2.gz GCGHUJVGYTUEQK-JVFYDIPSSA-N 1 3 322.453 0.281 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C)CC[C@H]1C ZINC000341192367 292335115 /nfs/dbraw/zinc/33/51/15/292335115.db2.gz ABWUGNXWBRCICL-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C)CC[C@H]1C ZINC000341192367 292335118 /nfs/dbraw/zinc/33/51/18/292335118.db2.gz ABWUGNXWBRCICL-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125538953 158256217 /nfs/dbraw/zinc/25/62/17/158256217.db2.gz PJECHBURTMYNEH-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125538953 158256222 /nfs/dbraw/zinc/25/62/22/158256222.db2.gz PJECHBURTMYNEH-HOTGVXAUSA-N 1 3 308.470 0.709 20 0 DCADHO COC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127136394 158270369 /nfs/dbraw/zinc/27/03/69/158270369.db2.gz YOUOBWQJWQISIA-CYBMUJFWSA-N 1 3 312.458 0.879 20 0 DCADHO CCCN(C)CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000359281239 159260784 /nfs/dbraw/zinc/26/07/84/159260784.db2.gz XAGQYZKYKFITEJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000359281239 159260785 /nfs/dbraw/zinc/26/07/85/159260785.db2.gz XAGQYZKYKFITEJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000366993685 159302799 /nfs/dbraw/zinc/30/27/99/159302799.db2.gz MLRHEQHBZAHPPB-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO CSCC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000368008219 159369734 /nfs/dbraw/zinc/36/97/34/159369734.db2.gz IQXMXDMXXKRQKX-YUMQZZPRSA-N 1 3 300.453 0.978 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000342112453 287153282 /nfs/dbraw/zinc/15/32/82/287153282.db2.gz WAOLJVLKCCJFCB-BPUTZDHNSA-N 1 3 308.470 0.646 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCN1CCCO ZINC000418342921 287244676 /nfs/dbraw/zinc/24/46/76/287244676.db2.gz JAUCWEJHYMBLIU-CABCVRRESA-N 1 3 312.458 0.522 20 0 DCADHO O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CCCNCC1 ZINC000418942711 287254494 /nfs/dbraw/zinc/25/44/94/287254494.db2.gz YGERCUPIKBPXNR-UHFFFAOYSA-N 1 3 324.469 0.581 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000419020875 287261582 /nfs/dbraw/zinc/26/15/82/287261582.db2.gz GIAOTOWPYOJHTL-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419021584 287262043 /nfs/dbraw/zinc/26/20/43/287262043.db2.gz HBVCNJUNAYCTIE-CRWXNKLISA-N 1 3 312.458 0.275 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000419046752 287263646 /nfs/dbraw/zinc/26/36/46/287263646.db2.gz QTTWUJIYLOYUOZ-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419341920 287281996 /nfs/dbraw/zinc/28/19/96/287281996.db2.gz ZWGBAEVXEAQMLY-NEBZKDRISA-N 1 3 322.453 0.171 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420304179 287288149 /nfs/dbraw/zinc/28/81/49/287288149.db2.gz DNCNVXSRQRCDNA-IXDOHACOSA-N 1 3 316.449 0.557 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000331605482 415150385 /nfs/dbraw/zinc/15/03/85/415150385.db2.gz IALIYAQXBKACLR-RRFJBIMHSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000331588731 415143003 /nfs/dbraw/zinc/14/30/03/415143003.db2.gz YDQZSZKFSFQZIR-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000342691277 415257563 /nfs/dbraw/zinc/25/75/63/415257563.db2.gz CFPMZLVQWVBQRV-IHRRRGAJSA-N 1 3 313.442 0.751 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342691276 415258106 /nfs/dbraw/zinc/25/81/06/415258106.db2.gz CFPMZLVQWVBQRV-HZSPNIEDSA-N 1 3 313.442 0.751 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342691276 415258112 /nfs/dbraw/zinc/25/81/12/415258112.db2.gz CFPMZLVQWVBQRV-HZSPNIEDSA-N 1 3 313.442 0.751 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332626028 415420061 /nfs/dbraw/zinc/42/00/61/415420061.db2.gz OPEKVBBJWKTENL-CABCVRRESA-N 1 3 322.453 0.269 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000332599343 415422080 /nfs/dbraw/zinc/42/20/80/415422080.db2.gz OFYOGXAEKGEPQA-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332678627 415435058 /nfs/dbraw/zinc/43/50/58/415435058.db2.gz TYRRAAINDXWSLR-MJBXVCDLSA-N 1 3 308.426 0.021 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000343134535 415468288 /nfs/dbraw/zinc/46/82/88/415468288.db2.gz CZQWRSCTUOVVHK-BZUAXINKSA-N 1 3 308.470 0.613 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000343134535 415468295 /nfs/dbraw/zinc/46/82/95/415468295.db2.gz CZQWRSCTUOVVHK-BZUAXINKSA-N 1 3 308.470 0.613 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332978292 415519984 /nfs/dbraw/zinc/51/99/84/415519984.db2.gz JEJNORYNKATOMG-PMPSAXMXSA-N 1 3 324.469 0.758 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000343265057 415520401 /nfs/dbraw/zinc/52/04/01/415520401.db2.gz AJGXLSKOYAWYIN-IAGOWNOFSA-N 1 3 320.481 0.853 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C1CC1 ZINC000343283285 415526827 /nfs/dbraw/zinc/52/68/27/415526827.db2.gz APRBVSFVSSJYBX-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C1CC1 ZINC000343283285 415526833 /nfs/dbraw/zinc/52/68/33/415526833.db2.gz APRBVSFVSSJYBX-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000353455939 415550491 /nfs/dbraw/zinc/55/04/91/415550491.db2.gz YYQIGHXTXMLDAE-WDEREUQCSA-N 1 3 311.348 0.835 20 0 DCADHO Cc1cc(N2CC[C@H](NC[C@@H]3CC[NH2+][C@@H](C)C3)C2=O)n(C)n1 ZINC000333099446 415557308 /nfs/dbraw/zinc/55/73/08/415557308.db2.gz DOWRBONRFKUVOY-YUTCNCBUSA-N 1 3 305.426 0.812 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cn2ccsc2n1 ZINC000104190648 415623171 /nfs/dbraw/zinc/62/31/71/415623171.db2.gz PXMMJXINLKQFBF-UHFFFAOYSA-N 1 3 323.466 0.890 20 0 DCADHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3CNCCO3)C2)CC1 ZINC000333471381 415662851 /nfs/dbraw/zinc/66/28/51/415662851.db2.gz DIEVHAQZGUKMOJ-GJZGRUSLSA-N 1 3 310.442 0.348 20 0 DCADHO C[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)CN1CCN(C)CC1 ZINC000343686820 415686050 /nfs/dbraw/zinc/68/60/50/415686050.db2.gz FCMGTYVLHDIWNK-HNNXBMFYSA-N 1 3 323.485 0.431 20 0 DCADHO C[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)CN1CCN(C)CC1 ZINC000343686820 415686060 /nfs/dbraw/zinc/68/60/60/415686060.db2.gz FCMGTYVLHDIWNK-HNNXBMFYSA-N 1 3 323.485 0.431 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCN1CC[NH2+]CC1 ZINC000333724605 415724193 /nfs/dbraw/zinc/72/41/93/415724193.db2.gz VERUCAZBHRUDSS-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO CC(C)(CNC(=O)N1CCOC2(CNC2)C1)C[NH+]1CCCC1 ZINC000333619081 415698986 /nfs/dbraw/zinc/69/89/86/415698986.db2.gz RJFUYPORRWZSGF-UHFFFAOYSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@H](CCNC(=O)N1CCOC2(CNC2)C1)[NH+]1CCCCC1 ZINC000333649096 415706382 /nfs/dbraw/zinc/70/63/82/415706382.db2.gz VNOBMZPJBFEEHY-CQSZACIVSA-N 1 3 310.442 0.635 20 0 DCADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(C(N)=O)cs1 ZINC000289571901 415707678 /nfs/dbraw/zinc/70/76/78/415707678.db2.gz ZTWBTNPAFMILSH-UHFFFAOYSA-N 1 3 310.467 0.916 20 0 DCADHO CO[C@@H](CN)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290164070 415772785 /nfs/dbraw/zinc/77/27/85/415772785.db2.gz OEUOMLGHNZZOPH-CVEARBPZSA-N 1 3 305.422 0.941 20 0 DCADHO CO[C@@H](CN)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290164070 415772791 /nfs/dbraw/zinc/77/27/91/415772791.db2.gz OEUOMLGHNZZOPH-CVEARBPZSA-N 1 3 305.422 0.941 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[NH2+]1 ZINC000333861562 415750774 /nfs/dbraw/zinc/75/07/74/415750774.db2.gz SFTMZPQBPGGVMR-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333857565 415753172 /nfs/dbraw/zinc/75/31/72/415753172.db2.gz RHYXDSLJXJGQKZ-DOMZBBRYSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@H]1C[N@H+](CCN2CCCC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000343922837 415783323 /nfs/dbraw/zinc/78/33/23/415783323.db2.gz LAHADIHCHHTREB-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H]1C[N@@H+](CCN2CCCC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000343922837 415783328 /nfs/dbraw/zinc/78/33/28/415783328.db2.gz LAHADIHCHHTREB-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO Cn1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(=O)n(C)c1=O ZINC000290342339 415793178 /nfs/dbraw/zinc/79/31/78/415793178.db2.gz FMDSUUDUCVQQCA-TZMCWYRMSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(=O)n(C)c1=O ZINC000290342339 415793184 /nfs/dbraw/zinc/79/31/84/415793184.db2.gz FMDSUUDUCVQQCA-TZMCWYRMSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c(=O)n(C)c1=O ZINC000290342339 415793189 /nfs/dbraw/zinc/79/31/89/415793189.db2.gz FMDSUUDUCVQQCA-TZMCWYRMSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)c(=O)n(C)c1=O ZINC000290342339 415793196 /nfs/dbraw/zinc/79/31/96/415793196.db2.gz FMDSUUDUCVQQCA-TZMCWYRMSA-N 1 3 306.410 0.000 20 0 DCADHO CN(C)Cc1cccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000354708760 415814495 /nfs/dbraw/zinc/81/44/95/415814495.db2.gz MEQYKOFUEVYLDO-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO Cc1c(CCC(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC000130278480 415918591 /nfs/dbraw/zinc/91/85/91/415918591.db2.gz KZVSYGGOXCGUBD-UHFFFAOYSA-N 1 3 309.458 0.613 20 0 DCADHO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(N3CCNCC3)cn2)C1 ZINC000296400446 415926396 /nfs/dbraw/zinc/92/63/96/415926396.db2.gz LLCNNWNJSHRXFQ-STQMWFEESA-N 1 3 303.410 0.947 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC000152566803 415967065 /nfs/dbraw/zinc/96/70/65/415967065.db2.gz MSDXZHHNXGDFTM-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000337545834 415976063 /nfs/dbraw/zinc/97/60/63/415976063.db2.gz VEGTZSGWZUAATH-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1cncn1 ZINC000337568254 415978070 /nfs/dbraw/zinc/97/80/70/415978070.db2.gz BCXSPESHTWCQHL-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1cncn1 ZINC000337568254 415978073 /nfs/dbraw/zinc/97/80/73/415978073.db2.gz BCXSPESHTWCQHL-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc[nH]n1 ZINC000174053380 416071820 /nfs/dbraw/zinc/07/18/20/416071820.db2.gz TWFPDNNECVOLKU-OAHLLOKOSA-N 1 3 322.457 0.967 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc[nH]n1 ZINC000174053380 416071824 /nfs/dbraw/zinc/07/18/24/416071824.db2.gz TWFPDNNECVOLKU-OAHLLOKOSA-N 1 3 322.457 0.967 20 0 DCADHO O=c1n2ccccc2nn1CCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357093653 416031703 /nfs/dbraw/zinc/03/17/03/416031703.db2.gz XBOGOEGRABWCRN-OAHLLOKOSA-N 1 3 315.421 0.818 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176098877 416120726 /nfs/dbraw/zinc/12/07/26/416120726.db2.gz KSHYDSMAJAXMLO-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCCCC1 ZINC000345743422 416143734 /nfs/dbraw/zinc/14/37/34/416143734.db2.gz BNCFLBJNONZYII-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)CN(C)C)C1 ZINC000358501805 416244562 /nfs/dbraw/zinc/24/45/62/416244562.db2.gz OJJYFLZMGTUEEH-QLFBSQMISA-N 1 3 312.458 0.831 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000341979765 416262510 /nfs/dbraw/zinc/26/25/10/416262510.db2.gz GGRXGVAPQDDUIL-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000341979765 416262512 /nfs/dbraw/zinc/26/25/12/416262512.db2.gz GGRXGVAPQDDUIL-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000358728295 416274996 /nfs/dbraw/zinc/27/49/96/416274996.db2.gz YDASKQZQLSNSNE-RDJZCZTQSA-N 1 3 324.469 0.617 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000358728295 416274998 /nfs/dbraw/zinc/27/49/98/416274998.db2.gz YDASKQZQLSNSNE-RDJZCZTQSA-N 1 3 324.469 0.617 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000342061436 416275942 /nfs/dbraw/zinc/27/59/42/416275942.db2.gz BVEJZOFJSTZQRT-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342061436 416275947 /nfs/dbraw/zinc/27/59/47/416275947.db2.gz BVEJZOFJSTZQRT-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000261988292 416335778 /nfs/dbraw/zinc/33/57/78/416335778.db2.gz SPJADPHCIGYWBP-BZUAXINKSA-N 1 3 303.406 0.663 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415599512 416349070 /nfs/dbraw/zinc/34/90/70/416349070.db2.gz MTBOQGYCGNFRTJ-CYBMUJFWSA-N 1 3 318.421 0.727 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415688772 416350990 /nfs/dbraw/zinc/35/09/90/416350990.db2.gz WJNUJYOJRWZPGM-WFASDCNBSA-N 1 3 318.421 0.943 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CN1C1CC1 ZINC000237694139 416328537 /nfs/dbraw/zinc/32/85/37/416328537.db2.gz BSNXGDCBGKYTOM-NWDGAFQWSA-N 1 3 318.425 0.558 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419890558 416414792 /nfs/dbraw/zinc/41/47/92/416414792.db2.gz IOXPLAAKPIRZKN-ZDUSSCGKSA-N 1 3 322.409 0.038 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360172761 416377027 /nfs/dbraw/zinc/37/70/27/416377027.db2.gz VCBVCYPBWRWKBP-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360172761 416377029 /nfs/dbraw/zinc/37/70/29/416377029.db2.gz VCBVCYPBWRWKBP-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000416958291 416381292 /nfs/dbraw/zinc/38/12/92/416381292.db2.gz OXNIZOUXFQWDNP-LSDHHAIUSA-N 1 3 313.490 0.541 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417563661 416383484 /nfs/dbraw/zinc/38/34/84/416383484.db2.gz HRXVYDXQFWYVJJ-QLFBSQMISA-N 1 3 312.458 0.914 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000418388206 416386513 /nfs/dbraw/zinc/38/65/13/416386513.db2.gz NBYUEUDZXLNRKI-ILXRZTDVSA-N 1 3 312.458 0.737 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418701188 416388995 /nfs/dbraw/zinc/38/89/95/416388995.db2.gz ACEQZTRGIXGOQJ-LXINESAQSA-N 1 3 324.469 0.648 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418961308 416394842 /nfs/dbraw/zinc/39/48/42/416394842.db2.gz JODHHGJPMFEQRK-KGLIPLIRSA-N 1 3 320.437 0.477 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419767294 416409421 /nfs/dbraw/zinc/40/94/21/416409421.db2.gz SOXIDCFUURPMON-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423061956 416462478 /nfs/dbraw/zinc/46/24/78/416462478.db2.gz LWODYZBYMZVBOL-KBPBESRZSA-N 1 3 312.458 0.228 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423064130 416465747 /nfs/dbraw/zinc/46/57/47/416465747.db2.gz QNHRTRWGZJHOIX-UHFFFAOYSA-N 1 3 312.458 0.230 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423123306 416468100 /nfs/dbraw/zinc/46/81/00/416468100.db2.gz MHVYVUTWNRLGJP-LSDHHAIUSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C[N@@H+]1C1CC1 ZINC000458511717 416476853 /nfs/dbraw/zinc/47/68/53/416476853.db2.gz JCXNWWYSRDSNAE-QLFBSQMISA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C[N@H+]1C1CC1 ZINC000458511717 416476858 /nfs/dbraw/zinc/47/68/58/416476858.db2.gz JCXNWWYSRDSNAE-QLFBSQMISA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000423199882 416478424 /nfs/dbraw/zinc/47/84/24/416478424.db2.gz LEHPSRLMQSJDTI-PBHICJAKSA-N 1 3 322.453 0.271 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CCCN1C ZINC000458676478 416489308 /nfs/dbraw/zinc/48/93/08/416489308.db2.gz ZGHKRGMSORDVJN-ILXRZTDVSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CCCN1C ZINC000458676478 416489312 /nfs/dbraw/zinc/48/93/12/416489312.db2.gz ZGHKRGMSORDVJN-ILXRZTDVSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[N@H+](C)C1CC1 ZINC000422309534 416425338 /nfs/dbraw/zinc/42/53/38/416425338.db2.gz UBLPLYCLOCQUQB-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)[N@@H+](C)C1CC1 ZINC000422309534 416425340 /nfs/dbraw/zinc/42/53/40/416425340.db2.gz UBLPLYCLOCQUQB-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000422326494 416426458 /nfs/dbraw/zinc/42/64/58/416426458.db2.gz AYMFPRIFQUELAJ-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nnc(NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000590798526 416528053 /nfs/dbraw/zinc/52/80/53/416528053.db2.gz RDLSXUJMGRJHHN-UHFFFAOYSA-N 1 3 300.432 0.804 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423620902 416528211 /nfs/dbraw/zinc/52/82/11/416528211.db2.gz XAQQPJFMUAJYMH-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423626910 416530935 /nfs/dbraw/zinc/53/09/35/416530935.db2.gz TUDZUMUIWDUDPV-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000423626910 416530939 /nfs/dbraw/zinc/53/09/39/416530939.db2.gz TUDZUMUIWDUDPV-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@@H]1CN)C(C)C ZINC000423647959 416535294 /nfs/dbraw/zinc/53/52/94/416535294.db2.gz NKQBTANXVUBRFN-CQSZACIVSA-N 1 3 312.458 0.513 20 0 DCADHO CN(C)[C@]1(CNC(=O)C[C@H]2CSCC[NH2+]2)CCSC1 ZINC000434870722 416502015 /nfs/dbraw/zinc/50/20/15/416502015.db2.gz TVYPRIKZLDDDOO-AAEUAGOBSA-N 1 3 303.497 0.635 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423516213 416518878 /nfs/dbraw/zinc/51/88/78/416518878.db2.gz SZAAPZJAPRYCMV-KBPBESRZSA-N 1 3 312.458 0.228 20 0 DCADHO CO[C@@H]1CCC[C@@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000538191316 416566471 /nfs/dbraw/zinc/56/64/71/416566471.db2.gz NLZVRKGEIKCOPU-HUUCEWRRSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H]1C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000540011971 416588193 /nfs/dbraw/zinc/58/81/93/416588193.db2.gz CUIUIOWPFDCHDA-HUUCEWRRSA-N 1 3 314.474 0.936 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424161758 416619854 /nfs/dbraw/zinc/61/98/54/416619854.db2.gz WBXOVANASFOCCL-OLZOCXBDSA-N 1 3 306.414 0.369 20 0 DCADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N(C)C1CC1 ZINC000424155644 416619917 /nfs/dbraw/zinc/61/99/17/416619917.db2.gz NGLVHANTPLEIDU-YPMHNXCESA-N 1 3 306.414 0.415 20 0 DCADHO COCCN(C)CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424162451 416620827 /nfs/dbraw/zinc/62/08/27/416620827.db2.gz WVPCXVBZQFOGTI-LBPRGKRZSA-N 1 3 309.414 0.185 20 0 DCADHO O=C(N[C@H]1CNCCC1(F)F)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424170447 416622444 /nfs/dbraw/zinc/62/24/44/416622444.db2.gz AZVLHABZLZWPOA-KOLCDFICSA-N 1 3 313.352 0.604 20 0 DCADHO CC[C@]1(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000368366827 416661287 /nfs/dbraw/zinc/66/12/87/416661287.db2.gz IOPJHZWXJVFKIQ-WMLDXEAASA-N 1 3 308.470 0.803 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000516571273 416727981 /nfs/dbraw/zinc/72/79/81/416727981.db2.gz QBPJBLZQIVPJOM-QWHCGFSZSA-N 1 3 320.437 0.606 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000557315954 416731695 /nfs/dbraw/zinc/73/16/95/416731695.db2.gz PTJXDRPCDLOVGT-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](CN)C1 ZINC000516959308 416762756 /nfs/dbraw/zinc/76/27/56/416762756.db2.gz IHUVKOCKHITOHF-CYBMUJFWSA-N 1 3 311.474 0.580 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000631848840 416766182 /nfs/dbraw/zinc/76/61/82/416766182.db2.gz NJWUGVALODWXQY-HRCADAONSA-N 1 3 302.422 0.452 20 0 DCADHO CSCC[C@H](N)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000517235638 416793346 /nfs/dbraw/zinc/79/33/46/416793346.db2.gz VCNKISOTMOYKRY-IHRRRGAJSA-N 1 3 315.483 0.812 20 0 DCADHO CC(C)N(CCNS(=O)(=O)N(C)C1CC[NH2+]CC1)C(C)C ZINC000631909652 416793519 /nfs/dbraw/zinc/79/35/19/416793519.db2.gz KZJCIQXHODZJHI-UHFFFAOYSA-N 1 3 320.503 0.623 20 0 DCADHO CCN(CC)[C@H]1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631924424 416805487 /nfs/dbraw/zinc/80/54/87/416805487.db2.gz UYQFKURZIGKNCO-AWEZNQCLSA-N 1 3 318.487 0.331 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000517541591 416808379 /nfs/dbraw/zinc/80/83/79/416808379.db2.gz QSVPPZPLNUMXCK-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO [NH3+][C@@H]1CCC[C@H]2CN(S(=O)(=O)CCCN3CCCC3)C[C@@H]21 ZINC000631930842 416811360 /nfs/dbraw/zinc/81/13/60/416811360.db2.gz ALBIRRNCSVDEAY-SOUVJXGZSA-N 1 3 315.483 0.861 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631940288 416817670 /nfs/dbraw/zinc/81/76/70/416817670.db2.gz SIOMKBZMMPITEA-CABCVRRESA-N 1 3 317.499 0.980 20 0 DCADHO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)CCCN1CCCC1 ZINC000631943190 416821067 /nfs/dbraw/zinc/82/10/67/416821067.db2.gz PICGLEBXGBDUFQ-ZDUSSCGKSA-N 1 3 303.472 0.780 20 0 DCADHO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)CCCN1CCCC1 ZINC000631943189 416821219 /nfs/dbraw/zinc/82/12/19/416821219.db2.gz PICGLEBXGBDUFQ-CYBMUJFWSA-N 1 3 303.472 0.780 20 0 DCADHO O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)NC1CCN(C2CC2)CC1 ZINC000428041845 416869311 /nfs/dbraw/zinc/86/93/11/416869311.db2.gz SGQMACXGEWBHOF-CZUORRHYSA-N 1 3 306.454 0.413 20 0 DCADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000562754553 416870897 /nfs/dbraw/zinc/87/08/97/416870897.db2.gz MFANHLXFMBJTMK-NEPJUHHUSA-N 1 3 324.429 0.679 20 0 DCADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000444357357 416836533 /nfs/dbraw/zinc/83/65/33/416836533.db2.gz ODCHRKSAFBMGNW-ZIAGYGMSSA-N 1 3 314.474 0.632 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000518144016 416840314 /nfs/dbraw/zinc/84/03/14/416840314.db2.gz CNAFOEDYFVPVBU-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000518180674 416841563 /nfs/dbraw/zinc/84/15/63/416841563.db2.gz YPDSKBIWXIBWTM-BFHYXJOUSA-N 1 3 300.447 0.864 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000518180676 416844201 /nfs/dbraw/zinc/84/42/01/416844201.db2.gz YPDSKBIWXIBWTM-MELADBBJSA-N 1 3 300.447 0.864 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)CCCN2CCCC2)CC1 ZINC000631975643 416844548 /nfs/dbraw/zinc/84/45/48/416844548.db2.gz NLVYVWGCOMQHNB-HDJSIYSDSA-N 1 3 303.472 0.909 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565238280 416955626 /nfs/dbraw/zinc/95/56/26/416955626.db2.gz GBOJGRTURPQFLZ-RDBSUJKOSA-N 1 3 308.426 0.021 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565238280 416955635 /nfs/dbraw/zinc/95/56/35/416955635.db2.gz GBOJGRTURPQFLZ-RDBSUJKOSA-N 1 3 308.426 0.021 20 0 DCADHO C[C@H](CCNC(=O)C(=O)NC1CNC1)[N@H+](C)Cc1ccccc1 ZINC000519533362 416910682 /nfs/dbraw/zinc/91/06/82/416910682.db2.gz ZGOMVLQOLFJWDW-CYBMUJFWSA-N 1 3 318.421 0.101 20 0 DCADHO C[C@H](CCNC(=O)C(=O)NC1CNC1)[N@@H+](C)Cc1ccccc1 ZINC000519533362 416910688 /nfs/dbraw/zinc/91/06/88/416910688.db2.gz ZGOMVLQOLFJWDW-CYBMUJFWSA-N 1 3 318.421 0.101 20 0 DCADHO Nc1nc(N)nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000623937347 416922893 /nfs/dbraw/zinc/92/28/93/416922893.db2.gz CADBNOXEYRSSCO-CYBMUJFWSA-N 1 3 313.409 0.095 20 0 DCADHO Nc1nc(N)nc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000623937347 416922902 /nfs/dbraw/zinc/92/29/02/416922902.db2.gz CADBNOXEYRSSCO-CYBMUJFWSA-N 1 3 313.409 0.095 20 0 DCADHO [NH3+]C/C=C\CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000641862792 417014859 /nfs/dbraw/zinc/01/48/59/417014859.db2.gz RYHLPLHVPSKAPR-CHYADLBTSA-N 1 3 318.421 0.438 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)N1CCN(c2ccncc2)CC1 ZINC000637180817 417022005 /nfs/dbraw/zinc/02/20/05/417022005.db2.gz NXQXDDFXJHXTJU-UHFFFAOYSA-N 1 3 303.410 0.913 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000642013781 417022060 /nfs/dbraw/zinc/02/20/60/417022060.db2.gz HBRKRFYFHBCPIE-ILXRZTDVSA-N 1 3 310.442 0.396 20 0 DCADHO NC(C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C(F)(F)F ZINC000521872710 417031289 /nfs/dbraw/zinc/03/12/89/417031289.db2.gz ARTKHKQHYJLKAZ-OUAUKWLOSA-N 1 3 309.332 0.621 20 0 DCADHO COC[C@]1(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)CCC[NH2+]1 ZINC000641800300 417003448 /nfs/dbraw/zinc/00/34/48/417003448.db2.gz DDZNXQYQYQEGPU-GOEBONIOSA-N 1 3 312.458 0.879 20 0 DCADHO C[NH+](C)C[C@@H](CNc1nc(N)nc(N)n1)c1ccc(Cl)cc1 ZINC000624344191 417011685 /nfs/dbraw/zinc/01/16/85/417011685.db2.gz HCSJLKQOFLZFDG-SNVBAGLBSA-N 1 3 321.816 0.529 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785693 417097531 /nfs/dbraw/zinc/09/75/31/417097531.db2.gz DMMAIWOMYMPTIU-KGLIPLIRSA-N 1 3 310.442 0.077 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785761 417102106 /nfs/dbraw/zinc/10/21/06/417102106.db2.gz HVVXUZFTTMXUGH-KGLIPLIRSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[C@](C)(C[NH3+])NCCOc1ccc(S(N)(=O)=O)cc1 ZINC000430574452 417044081 /nfs/dbraw/zinc/04/40/81/417044081.db2.gz SWSMBQHLMJZZEC-AWEZNQCLSA-N 1 3 315.439 0.676 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642330374 417045365 /nfs/dbraw/zinc/04/53/65/417045365.db2.gz BRCSKDVGMJZVAU-HZSPNIEDSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000430600505 417049647 /nfs/dbraw/zinc/04/96/47/417049647.db2.gz SAZFPVQOHQTCJX-UONOGXRCSA-N 1 3 308.470 0.789 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000642439338 417051974 /nfs/dbraw/zinc/05/19/74/417051974.db2.gz BTMFNDLXDWOFDU-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000642439297 417052423 /nfs/dbraw/zinc/05/24/23/417052423.db2.gz AQQQCHZCPJDQRF-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C(=O)C(=O)N[C@H](CC)CN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000642439926 417056889 /nfs/dbraw/zinc/05/68/89/417056889.db2.gz RYZYSUPDLQHGLL-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000642644491 417065405 /nfs/dbraw/zinc/06/54/05/417065405.db2.gz SWLFWOXZPJEFJG-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430877114 417076015 /nfs/dbraw/zinc/07/60/15/417076015.db2.gz IVXJMZHILQAXME-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000430876565 417077482 /nfs/dbraw/zinc/07/74/82/417077482.db2.gz RHFXSPHMPPZJBA-CZUORRHYSA-N 1 3 310.442 0.045 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000378490581 417080161 /nfs/dbraw/zinc/08/01/61/417080161.db2.gz DVGSMMJLQIWYNM-HUUCEWRRSA-N 1 3 312.458 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000378490581 417080166 /nfs/dbraw/zinc/08/01/66/417080166.db2.gz DVGSMMJLQIWYNM-HUUCEWRRSA-N 1 3 312.458 0.690 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642733338 417085851 /nfs/dbraw/zinc/08/58/51/417085851.db2.gz FIROVZKMBFHLLL-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2CC)CC[C@H]1[NH3+] ZINC000642773446 417093805 /nfs/dbraw/zinc/09/38/05/417093805.db2.gz ZVORGECDHCKLDH-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642901689 417113315 /nfs/dbraw/zinc/11/33/15/417113315.db2.gz AUYLHNXDZFTIKI-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(NC1CNC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000642925886 417127099 /nfs/dbraw/zinc/12/70/99/417127099.db2.gz HUDYKLGRSQMVGO-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430715052 287349623 /nfs/dbraw/zinc/34/96/23/287349623.db2.gz QXSWUOKPFBSTGG-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449329059 417141058 /nfs/dbraw/zinc/14/10/58/417141058.db2.gz HJFGFGRNOGXZHF-KGLIPLIRSA-N 1 3 322.457 0.736 20 0 DCADHO COC[C@@]1(C(=O)NC[C@H](N)c2ccccc2OC)CCCC[NH2+]1 ZINC000637804925 417190341 /nfs/dbraw/zinc/19/03/41/417190341.db2.gz SVRYOBOXZDFAGF-WMLDXEAASA-N 1 3 321.421 0.970 20 0 DCADHO COCCOCCN(C)CCC(=O)NC1CCC([NH3+])CC1 ZINC000637818145 417197485 /nfs/dbraw/zinc/19/74/85/417197485.db2.gz AQHCYWUXZVAUEH-UHFFFAOYSA-N 1 3 301.431 0.357 20 0 DCADHO CC(C)c1ccc([C@@H](N)CNC(=O)CN2CC[NH2+]CC2)cc1 ZINC000637831085 417200816 /nfs/dbraw/zinc/20/08/16/417200816.db2.gz PVOHKJJRTSLPGX-INIZCTEOSA-N 1 3 304.438 0.831 20 0 DCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637851396 417206377 /nfs/dbraw/zinc/20/63/77/417206377.db2.gz HVAAFUJIVYFKSP-NVXWUHKLSA-N 1 3 306.454 0.935 20 0 DCADHO CN(C)CCn1c2cc(C(=O)NCC(C)(C)[NH3+])ccc2[nH]c1=O ZINC000637857769 417209321 /nfs/dbraw/zinc/20/93/21/417209321.db2.gz PEAJWNJKLVRCSQ-UHFFFAOYSA-N 1 3 319.409 0.771 20 0 DCADHO CN1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000637863411 417211811 /nfs/dbraw/zinc/21/18/11/417211811.db2.gz BJUPAFWDJKZSOP-DLBZAZTESA-N 1 3 316.449 0.610 20 0 DCADHO CN1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](CN)C1 ZINC000637863411 417211818 /nfs/dbraw/zinc/21/18/18/417211818.db2.gz BJUPAFWDJKZSOP-DLBZAZTESA-N 1 3 316.449 0.610 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC000643470897 417216777 /nfs/dbraw/zinc/21/67/77/417216777.db2.gz BAEIOZRQYTUPME-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643482946 417220998 /nfs/dbraw/zinc/22/09/98/417220998.db2.gz FVWUSUHEOPBDHM-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CN1CC[C@](O)(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000643481181 417223058 /nfs/dbraw/zinc/22/30/58/417223058.db2.gz DFKQADFBMOPRKH-SZMVWBNQSA-N 1 3 317.433 0.899 20 0 DCADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000643494612 417224778 /nfs/dbraw/zinc/22/47/78/417224778.db2.gz MUNRQRSXFWFVDP-GJZGRUSLSA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643500440 417228281 /nfs/dbraw/zinc/22/82/81/417228281.db2.gz WCGYKWQSGUDMER-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000449695055 417163502 /nfs/dbraw/zinc/16/35/02/417163502.db2.gz IBJQZDJVVQAHHP-QGZVFWFLSA-N 1 3 316.449 0.916 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000449703762 417167653 /nfs/dbraw/zinc/16/76/53/417167653.db2.gz XEFWFHRAJAXGPL-HNNXBMFYSA-N 1 3 324.469 0.041 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000569605498 417272419 /nfs/dbraw/zinc/27/24/19/417272419.db2.gz KIKKKHXETTWIBT-XQQFMLRXSA-N 1 3 312.458 0.417 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](N)CC ZINC000569245081 417234259 /nfs/dbraw/zinc/23/42/59/417234259.db2.gz AIXAQLDKOXCHJO-UONOGXRCSA-N 1 3 313.442 0.990 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](N)CC ZINC000569245081 417234266 /nfs/dbraw/zinc/23/42/66/417234266.db2.gz AIXAQLDKOXCHJO-UONOGXRCSA-N 1 3 313.442 0.990 20 0 DCADHO CCN(CC)C(=O)CN1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414685163 417295773 /nfs/dbraw/zinc/29/57/73/417295773.db2.gz YFQPIQIIJHCKPL-JKSUJKDBSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000643545350 417240596 /nfs/dbraw/zinc/24/05/96/417240596.db2.gz DNKFQUKLJCOENE-YJNKXOJESA-N 1 3 322.453 0.267 20 0 DCADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCN2C)CCCO1 ZINC000433322639 417249691 /nfs/dbraw/zinc/24/96/91/417249691.db2.gz RNIMNRJBQQWHAC-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCN2C)CCCO1 ZINC000433322639 417249698 /nfs/dbraw/zinc/24/96/98/417249698.db2.gz RNIMNRJBQQWHAC-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]1C[C@H](CN2CCN(c3ccc(C(N)=O)cn3)CC2)CC[NH2+]1 ZINC000414679286 417296129 /nfs/dbraw/zinc/29/61/29/417296129.db2.gz RVCPIWLJWPQDQL-UONOGXRCSA-N 1 3 317.437 0.691 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433389487 417261721 /nfs/dbraw/zinc/26/17/21/417261721.db2.gz XTQNGLLMCPEFDL-KGLIPLIRSA-N 1 3 320.441 0.759 20 0 DCADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1O ZINC000527568318 417263128 /nfs/dbraw/zinc/26/31/28/417263128.db2.gz IQPJBGCVHHVDKC-QZOBBIQNSA-N 1 3 307.442 0.978 20 0 DCADHO C[C@@H]1C[C@@H](CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC[NH2+]1 ZINC000414759018 417301908 /nfs/dbraw/zinc/30/19/08/417301908.db2.gz WAOCXCUULBPELK-ILXRZTDVSA-N 1 3 315.483 0.874 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414839768 417306769 /nfs/dbraw/zinc/30/67/69/417306769.db2.gz JITWXHWBDYWZEU-AWEZNQCLSA-N 1 3 304.394 0.684 20 0 DCADHO COC[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CCCCN1 ZINC000638070749 417311107 /nfs/dbraw/zinc/31/11/07/417311107.db2.gz VZOUVKFZCMXOLD-INIZCTEOSA-N 1 3 313.442 0.108 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000414881563 417312551 /nfs/dbraw/zinc/31/25/51/417312551.db2.gz RNGNLXBBAJZVIC-GFCCVEGCSA-N 1 3 318.421 0.943 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000414909868 417313894 /nfs/dbraw/zinc/31/38/94/417313894.db2.gz GTSLRFLKILFRQC-CQSZACIVSA-N 1 3 318.421 0.897 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000414886239 417315084 /nfs/dbraw/zinc/31/50/84/417315084.db2.gz VTYKRBPINMUJTB-GFCCVEGCSA-N 1 3 318.421 0.943 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000638076580 417315267 /nfs/dbraw/zinc/31/52/67/417315267.db2.gz LWCBMALZFWUGIB-DLBZAZTESA-N 1 3 318.465 0.902 20 0 DCADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638085432 417319902 /nfs/dbraw/zinc/31/99/02/417319902.db2.gz ZDJPFYDNIHCQPU-NVXWUHKLSA-N 1 3 316.449 0.843 20 0 DCADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC[C@]2(C)CC[NH2+]C2)cn1 ZINC000415116657 417331850 /nfs/dbraw/zinc/33/18/50/417331850.db2.gz ZOZMDAVSPDHTFG-HRCADAONSA-N 1 3 309.433 0.922 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000415208529 417343098 /nfs/dbraw/zinc/34/30/98/417343098.db2.gz FGGBTWVICGRINN-CQSZACIVSA-N 1 3 322.457 1.474 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000415222066 417343883 /nfs/dbraw/zinc/34/38/83/417343883.db2.gz WJQHRSDCMLEXML-OAHLLOKOSA-N 1 3 308.430 0.956 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000638135845 417346882 /nfs/dbraw/zinc/34/68/82/417346882.db2.gz VDFHJMWNSLPHHQ-HOCLYGCPSA-N 1 3 304.394 0.497 20 0 DCADHO COC[C@]1(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638239159 417389878 /nfs/dbraw/zinc/38/98/78/417389878.db2.gz FXQUSRXSOQXCRQ-WBVHZDCISA-N 1 3 309.454 0.993 20 0 DCADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000570815272 417393834 /nfs/dbraw/zinc/39/38/34/417393834.db2.gz KTBKSGCJLBUASO-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000570815272 417393841 /nfs/dbraw/zinc/39/38/41/417393841.db2.gz KTBKSGCJLBUASO-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638257110 417396241 /nfs/dbraw/zinc/39/62/41/417396241.db2.gz SWHPYTZLOFTLMM-GHMZBOCLSA-N 1 3 319.409 0.769 20 0 DCADHO CN(C)CCOCCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638291382 417410691 /nfs/dbraw/zinc/41/06/91/417410691.db2.gz QBYVTMWYHKEXOG-UHFFFAOYSA-N 1 3 305.422 0.569 20 0 DCADHO Cc1nccn1CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000638334265 417424624 /nfs/dbraw/zinc/42/46/24/417424624.db2.gz AEVCMNZLEMRXBS-UHFFFAOYSA-N 1 3 305.426 0.524 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000570554456 417365757 /nfs/dbraw/zinc/36/57/57/417365757.db2.gz TYPYLDOCLXFALX-CABCVRRESA-N 1 3 309.454 0.945 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638198798 417373407 /nfs/dbraw/zinc/37/34/07/417373407.db2.gz FMFVQZVDXNLYBT-PMPSAXMXSA-N 1 3 304.438 0.832 20 0 DCADHO NC[C@@H](NC(=O)CN1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000638207556 417376826 /nfs/dbraw/zinc/37/68/26/417376826.db2.gz ZXSUMRPRCKDLDZ-QGZVFWFLSA-N 1 3 312.417 0.861 20 0 DCADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638570966 417489960 /nfs/dbraw/zinc/48/99/60/417489960.db2.gz JSSSDPWSMCMFGB-MRXNPFEDSA-N 1 3 305.422 0.856 20 0 DCADHO CO[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000638588825 417497000 /nfs/dbraw/zinc/49/70/00/417497000.db2.gz OYPQNLLUVGJXGD-BFYDXBDKSA-N 1 3 311.470 0.796 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000638441230 417459301 /nfs/dbraw/zinc/45/93/01/417459301.db2.gz FJOBMYBGXWXSLP-ZBFHGGJFSA-N 1 3 313.442 0.311 20 0 DCADHO O[C@@H]1CCN(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634723011 417536633 /nfs/dbraw/zinc/53/66/33/417536633.db2.gz YKDTVXYNWUYEHC-MSOLQXFVSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@@H]1CCN(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634723011 417536637 /nfs/dbraw/zinc/53/66/37/417536637.db2.gz YKDTVXYNWUYEHC-MSOLQXFVSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@@H]1CCN(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634723011 417536642 /nfs/dbraw/zinc/53/66/42/417536642.db2.gz YKDTVXYNWUYEHC-MSOLQXFVSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@H]1CCN(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634723597 417538067 /nfs/dbraw/zinc/53/80/67/417538067.db2.gz YKDTVXYNWUYEHC-ROUUACIJSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@H]1CCN(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634723597 417538070 /nfs/dbraw/zinc/53/80/70/417538070.db2.gz YKDTVXYNWUYEHC-ROUUACIJSA-N 1 3 319.449 0.280 20 0 DCADHO O[C@H]1CCN(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634723597 417538076 /nfs/dbraw/zinc/53/80/76/417538076.db2.gz YKDTVXYNWUYEHC-ROUUACIJSA-N 1 3 319.449 0.280 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000575745762 417545696 /nfs/dbraw/zinc/54/56/96/417545696.db2.gz QQQVOAVMAYMUKS-FVQBIDKESA-N 1 3 307.438 0.840 20 0 DCADHO O=C(C[C@@H]1CNCCO1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000575745762 417545700 /nfs/dbraw/zinc/54/57/00/417545700.db2.gz QQQVOAVMAYMUKS-FVQBIDKESA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000576149217 417584660 /nfs/dbraw/zinc/58/46/60/417584660.db2.gz ONMLYMBORHOKHL-VQHPVUNQSA-N 1 3 313.486 0.778 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000576149217 417584665 /nfs/dbraw/zinc/58/46/65/417584665.db2.gz ONMLYMBORHOKHL-VQHPVUNQSA-N 1 3 313.486 0.778 20 0 DCADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000576149217 417584669 /nfs/dbraw/zinc/58/46/69/417584669.db2.gz ONMLYMBORHOKHL-VQHPVUNQSA-N 1 3 313.486 0.778 20 0 DCADHO CN1CCC(n2cc(NC(=O)COC3CC[NH2+]CC3)cn2)CC1 ZINC000638977656 417594486 /nfs/dbraw/zinc/59/44/86/417594486.db2.gz NTGMEIKDFZKALP-UHFFFAOYSA-N 1 3 321.425 0.857 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638983438 417596213 /nfs/dbraw/zinc/59/62/13/417596213.db2.gz ACRIBKIKEIOFQR-KGLIPLIRSA-N 1 3 303.410 0.818 20 0 DCADHO CO[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000531240138 417609325 /nfs/dbraw/zinc/60/93/25/417609325.db2.gz ICBDYJXPNIWPGD-KBPBESRZSA-N 1 3 314.474 0.935 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N1CCC[C@@H](C)C1 ZINC000644521720 417611202 /nfs/dbraw/zinc/61/12/02/417611202.db2.gz DIDSJEGOMXTAFO-IXDOHACOSA-N 1 3 312.502 0.305 20 0 DCADHO C[C@@H](CNC[C@@H](O)CN1CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000644521720 417611206 /nfs/dbraw/zinc/61/12/06/417611206.db2.gz DIDSJEGOMXTAFO-IXDOHACOSA-N 1 3 312.502 0.305 20 0 DCADHO C[C@@H](CNC[C@@H](O)CN1CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000644521720 417611213 /nfs/dbraw/zinc/61/12/13/417611213.db2.gz DIDSJEGOMXTAFO-IXDOHACOSA-N 1 3 312.502 0.305 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000576639531 417625215 /nfs/dbraw/zinc/62/52/15/417625215.db2.gz CILLBIWVILXBDF-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000644602828 417628617 /nfs/dbraw/zinc/62/86/17/417628617.db2.gz PWQNUEPCHYDCDS-JQHSSLGASA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000644602828 417628622 /nfs/dbraw/zinc/62/86/22/417628622.db2.gz PWQNUEPCHYDCDS-JQHSSLGASA-N 1 3 321.465 0.788 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(N)cn3)CC2)CC1 ZINC000576700831 417629375 /nfs/dbraw/zinc/62/93/75/417629375.db2.gz VEFKCQRWTBPRQC-UHFFFAOYSA-N 1 3 317.437 0.952 20 0 DCADHO Cn1cc(CCCNCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000639205895 417638554 /nfs/dbraw/zinc/63/85/54/417638554.db2.gz LAORXQPGOQNFOI-UHFFFAOYSA-N 1 3 321.469 0.935 20 0 DCADHO O=C(C[NH2+][C@H]1CCNC(=O)CC1)NCCN1CCCCCC1 ZINC000639204887 417639775 /nfs/dbraw/zinc/63/97/75/417639775.db2.gz DUEHGASLEINEJW-CQSZACIVSA-N 1 3 310.442 0.237 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCCN(C)C1 ZINC000635506376 417682418 /nfs/dbraw/zinc/68/24/18/417682418.db2.gz BSBMCNSGWGFHLK-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C)C1 ZINC000635506376 417682423 /nfs/dbraw/zinc/68/24/23/417682423.db2.gz BSBMCNSGWGFHLK-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO CCN1CCCN(C(=O)CC[N@H+](C)CCOCCOC)CC1 ZINC000635540798 417693816 /nfs/dbraw/zinc/69/38/16/417693816.db2.gz JGGIJGMWMUEDFK-UHFFFAOYSA-N 1 3 315.458 0.526 20 0 DCADHO CCN1CCCN(C(=O)CC[N@@H+](C)CCOCCOC)CC1 ZINC000635540798 417693819 /nfs/dbraw/zinc/69/38/19/417693819.db2.gz JGGIJGMWMUEDFK-UHFFFAOYSA-N 1 3 315.458 0.526 20 0 DCADHO CC(C)(O)CN1CCC([NH2+]C2CN(c3ccncn3)C2)CC1 ZINC000639391106 417669707 /nfs/dbraw/zinc/66/97/07/417669707.db2.gz VYKIATPXPYJQHX-UHFFFAOYSA-N 1 3 305.426 0.490 20 0 DCADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000580579914 417715487 /nfs/dbraw/zinc/71/54/87/417715487.db2.gz AISHXYROSSWBOT-TWMKSMIVSA-N 1 3 313.486 0.873 20 0 DCADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000580579914 417715490 /nfs/dbraw/zinc/71/54/90/417715490.db2.gz AISHXYROSSWBOT-TWMKSMIVSA-N 1 3 313.486 0.873 20 0 DCADHO CC[N@H+](CCNC(=O)N[C@@H]1CCCN(CCCO)C1)C(C)C ZINC000458196995 417730572 /nfs/dbraw/zinc/73/05/72/417730572.db2.gz FIRJEQFYHPIGLQ-OAHLLOKOSA-N 1 3 314.474 0.863 20 0 DCADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCCN(CCCO)C1)C(C)C ZINC000458196995 417730577 /nfs/dbraw/zinc/73/05/77/417730577.db2.gz FIRJEQFYHPIGLQ-OAHLLOKOSA-N 1 3 314.474 0.863 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000645953364 417831361 /nfs/dbraw/zinc/83/13/61/417831361.db2.gz QWNUROKFWAYTML-CYBMUJFWSA-N 1 3 318.425 0.417 20 0 DCADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000662517698 417793061 /nfs/dbraw/zinc/79/30/61/417793061.db2.gz WSOKZEYQZBVTSS-DOTOQJQBSA-N 1 3 314.433 0.727 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000636081033 417864669 /nfs/dbraw/zinc/86/46/69/417864669.db2.gz RYRKYPJWADPHAU-CQSZACIVSA-N 1 3 322.453 0.441 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](N)CC(C)C)CC1 ZINC000662747310 417886566 /nfs/dbraw/zinc/88/65/66/417886566.db2.gz SHOVCAOTRQDPDD-AWEZNQCLSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662802178 417909732 /nfs/dbraw/zinc/90/97/32/417909732.db2.gz ZMIYBAGDBQEISV-KBMXLJTQSA-N 1 3 305.422 0.987 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000631558162 417900670 /nfs/dbraw/zinc/90/06/70/417900670.db2.gz KYHMOBPDIMQRFH-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000631558162 417900676 /nfs/dbraw/zinc/90/06/76/417900676.db2.gz KYHMOBPDIMQRFH-AWEZNQCLSA-N 1 3 307.442 0.859 20 0 DCADHO O=C(NC[C@H]1CCN(C2CC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646419085 417846304 /nfs/dbraw/zinc/84/63/04/417846304.db2.gz MHQCZEZPWQROCN-OLZOCXBDSA-N 1 3 318.425 0.244 20 0 DCADHO C[NH+](C)CC(C)(C)CNS(=O)(=O)CCCN1CCCC1 ZINC000631645515 417912733 /nfs/dbraw/zinc/91/27/33/417912733.db2.gz RRJXEBPXGLOAFB-UHFFFAOYSA-N 1 3 305.488 0.980 20 0 DCADHO CCN1CCC(NC(=O)Cn2cc([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000640868176 417936683 /nfs/dbraw/zinc/93/66/83/417936683.db2.gz YUSIUZVLDAYMBT-ZDUSSCGKSA-N 1 3 320.441 0.346 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652673018 417940790 /nfs/dbraw/zinc/94/07/90/417940790.db2.gz CFONKFUMZGDDBH-KGLIPLIRSA-N 1 3 324.469 0.468 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000662930534 417955177 /nfs/dbraw/zinc/95/51/77/417955177.db2.gz QZQHMIQMQAYRSK-UHFFFAOYSA-N 1 3 312.458 0.515 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662983623 417971914 /nfs/dbraw/zinc/97/19/14/417971914.db2.gz KOZWRFOIPBEUEA-KFWWJZLASA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)C1 ZINC000662983623 417971919 /nfs/dbraw/zinc/97/19/19/417971919.db2.gz KOZWRFOIPBEUEA-KFWWJZLASA-N 1 3 324.469 0.372 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CC[C@@H]3COC[C@H]3C2)C1=O ZINC000663221479 418002691 /nfs/dbraw/zinc/00/26/91/418002691.db2.gz OIRDIOCIVCWRKF-MCIONIFRSA-N 1 3 309.410 0.034 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000647479558 418012978 /nfs/dbraw/zinc/01/29/78/418012978.db2.gz LLHDVXNWWQYVFT-PMPSAXMXSA-N 1 3 308.470 0.648 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000647479557 418013815 /nfs/dbraw/zinc/01/38/15/418013815.db2.gz LLHDVXNWWQYVFT-OWCLPIDISA-N 1 3 308.470 0.648 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC1CCN(C)CC1 ZINC000663445119 418021369 /nfs/dbraw/zinc/02/13/69/418021369.db2.gz GRZRLIVJBGMJGY-AWEZNQCLSA-N 1 3 313.490 0.652 20 0 DCADHO CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(CC)C1 ZINC000658820092 418026015 /nfs/dbraw/zinc/02/60/15/418026015.db2.gz CAXSHARHFNFEOJ-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[C@@H]1CCN(CC)C1 ZINC000658820092 418026017 /nfs/dbraw/zinc/02/60/17/418026017.db2.gz CAXSHARHFNFEOJ-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663503536 418027638 /nfs/dbraw/zinc/02/76/38/418027638.db2.gz OPDBKMSAEMSYJF-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663503536 418027641 /nfs/dbraw/zinc/02/76/41/418027641.db2.gz OPDBKMSAEMSYJF-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653125150 418034484 /nfs/dbraw/zinc/03/44/84/418034484.db2.gz UGUUIEJWRUMCOF-HZPDHXFCSA-N 1 3 308.470 0.661 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)C2)nn1 ZINC000653163699 418040911 /nfs/dbraw/zinc/04/09/11/418040911.db2.gz OQGHBWFEPKXECL-RBSFLKMASA-N 1 3 318.425 0.431 20 0 DCADHO NC(C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(F)(F)F ZINC000653184385 418041621 /nfs/dbraw/zinc/04/16/21/418041621.db2.gz PSHDYSFSHFZOSV-CHWFTXMASA-N 1 3 309.332 0.621 20 0 DCADHO NC(C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(F)(F)F ZINC000653184396 418042144 /nfs/dbraw/zinc/04/21/44/418042144.db2.gz PSHDYSFSHFZOSV-ZRUFSTJUSA-N 1 3 309.332 0.621 20 0 DCADHO NC[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000647078591 417982658 /nfs/dbraw/zinc/98/26/58/417982658.db2.gz HHHFLRVNLOHTSA-CVEARBPZSA-N 1 3 317.433 0.943 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000659512798 418109826 /nfs/dbraw/zinc/10/98/26/418109826.db2.gz WJMXSDSEETUMAX-ZFWWWQNUSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659533055 418112978 /nfs/dbraw/zinc/11/29/78/418112978.db2.gz XPKSWXLIMILCKI-OAHLLOKOSA-N 1 3 308.426 0.459 20 0 DCADHO CC1(OCC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CNC1 ZINC000648178729 418114513 /nfs/dbraw/zinc/11/45/13/418114513.db2.gz TYMXHFBKILHDIU-CABCVRRESA-N 1 3 321.396 0.847 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659542363 418115362 /nfs/dbraw/zinc/11/53/62/418115362.db2.gz LUXBEHRCTJRRMA-BPLDGKMQSA-N 1 3 310.442 0.679 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000653354156 418061815 /nfs/dbraw/zinc/06/18/15/418061815.db2.gz QATLOBROBQJQCL-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000653354156 418061817 /nfs/dbraw/zinc/06/18/17/418061817.db2.gz QATLOBROBQJQCL-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000647964634 418081126 /nfs/dbraw/zinc/08/11/26/418081126.db2.gz RYOHRCHWMWNRSJ-QGZVFWFLSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(CC2CCOCC2)CC1 ZINC000647964634 418081128 /nfs/dbraw/zinc/08/11/28/418081128.db2.gz RYOHRCHWMWNRSJ-QGZVFWFLSA-N 1 3 313.486 0.732 20 0 DCADHO CC1(OCC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C[NH2+]C1 ZINC000659370917 418086397 /nfs/dbraw/zinc/08/63/97/418086397.db2.gz YCJGOBWUKQAJBC-AWEZNQCLSA-N 1 3 305.378 0.665 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000664126720 418087769 /nfs/dbraw/zinc/08/77/69/418087769.db2.gz BDNQNEGQNGRSQK-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000659453088 418099801 /nfs/dbraw/zinc/09/98/01/418099801.db2.gz QPTIAFYMHWNBLY-GFCCVEGCSA-N 1 3 300.447 0.783 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)NCC3([NH3+])CCCC3)C2)nn1 ZINC000659574674 418121455 /nfs/dbraw/zinc/12/14/55/418121455.db2.gz DNBFXNAUHSPXOQ-CYBMUJFWSA-N 1 3 321.429 0.355 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659607924 418124632 /nfs/dbraw/zinc/12/46/32/418124632.db2.gz HRZYNKOQYFZVQL-CVEARBPZSA-N 1 3 322.453 0.776 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000654373401 418137917 /nfs/dbraw/zinc/13/79/17/418137917.db2.gz BIYBMZPWGMQKFT-LVQVYYBASA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000654373401 418137920 /nfs/dbraw/zinc/13/79/20/418137920.db2.gz BIYBMZPWGMQKFT-LVQVYYBASA-N 1 3 324.469 0.710 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654731087 418180052 /nfs/dbraw/zinc/18/00/52/418180052.db2.gz BWGFZTDJVMNEJR-IIAWOOMASA-N 1 3 312.458 0.615 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000659678251 418143187 /nfs/dbraw/zinc/14/31/87/418143187.db2.gz KCQKZAJCZCLTAF-KGLIPLIRSA-N 1 3 320.437 0.347 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654439691 418144438 /nfs/dbraw/zinc/14/44/38/418144438.db2.gz VCEXBYPZSBMAFA-QLFBSQMISA-N 1 3 310.442 0.321 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654439691 418144440 /nfs/dbraw/zinc/14/44/40/418144440.db2.gz VCEXBYPZSBMAFA-QLFBSQMISA-N 1 3 310.442 0.321 20 0 DCADHO C[NH+](C)CCOCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654541369 418158442 /nfs/dbraw/zinc/15/84/42/418158442.db2.gz JEUXRWBMPVYFDW-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000659716188 418159689 /nfs/dbraw/zinc/15/96/89/418159689.db2.gz URJCAAQPFIIGBT-BFHYXJOUSA-N 1 3 324.469 0.480 20 0 DCADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000659726180 418164577 /nfs/dbraw/zinc/16/45/77/418164577.db2.gz HWLFVQFFUPTXAT-CWVKQELPSA-N 1 3 320.437 0.069 20 0 DCADHO CN1CCC2(CCCN2C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732037 418167170 /nfs/dbraw/zinc/16/71/70/418167170.db2.gz DKUMHPJGFCQXSM-UHFFFAOYSA-N 1 3 322.453 0.461 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649351582 418247528 /nfs/dbraw/zinc/24/75/28/418247528.db2.gz CHKBEKWFHKNVNZ-AWEZNQCLSA-N 1 3 303.410 0.770 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)C1 ZINC000654782846 418188218 /nfs/dbraw/zinc/18/82/18/418188218.db2.gz WHUVGLARYKHSDV-OAHLLOKOSA-N 1 3 310.486 0.718 20 0 DCADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665294032 418193035 /nfs/dbraw/zinc/19/30/35/418193035.db2.gz HBRHRTXMCVEYRB-RISCZKNCSA-N 1 3 301.394 0.689 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660074858 418227437 /nfs/dbraw/zinc/22/74/37/418227437.db2.gz SMBBWPPFQBHJMY-IAGOWNOFSA-N 1 3 312.502 0.399 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000660074858 418227438 /nfs/dbraw/zinc/22/74/38/418227438.db2.gz SMBBWPPFQBHJMY-IAGOWNOFSA-N 1 3 312.502 0.399 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000649302350 418227833 /nfs/dbraw/zinc/22/78/33/418227833.db2.gz HWTVFXNEUVILCK-OKILXGFUSA-N 1 3 313.442 0.371 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660838686 418294456 /nfs/dbraw/zinc/29/44/56/418294456.db2.gz YKZWDJYJYIFHRH-HUUCEWRRSA-N 1 3 310.442 0.633 20 0 DCADHO C[N@H+](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC000660839037 418294465 /nfs/dbraw/zinc/29/44/65/418294465.db2.gz LNUOEQDWNOBZCS-OAHLLOKOSA-N 1 3 310.442 0.633 20 0 DCADHO C[N@@H+](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC000660839037 418294468 /nfs/dbraw/zinc/29/44/68/418294468.db2.gz LNUOEQDWNOBZCS-OAHLLOKOSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656025880 418320747 /nfs/dbraw/zinc/32/07/47/418320747.db2.gz VLEBUENTYMRHIA-KBXIAJHMSA-N 1 3 322.453 0.234 20 0 DCADHO [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028272 418321765 /nfs/dbraw/zinc/32/17/65/418321765.db2.gz KDYHQGFRACYOTC-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000655576417 418278308 /nfs/dbraw/zinc/27/83/08/418278308.db2.gz NRHXPUGETIWVCR-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000655576417 418278310 /nfs/dbraw/zinc/27/83/10/418278310.db2.gz NRHXPUGETIWVCR-HOTGVXAUSA-N 1 3 324.469 0.617 20 0 DCADHO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656353792 418349558 /nfs/dbraw/zinc/34/95/58/418349558.db2.gz CPNXZOUDIPLDAA-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000656431928 418353714 /nfs/dbraw/zinc/35/37/14/418353714.db2.gz KANHWBLPAHECBQ-ZDUSSCGKSA-N 1 3 310.442 0.979 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000656431928 418353716 /nfs/dbraw/zinc/35/37/16/418353716.db2.gz KANHWBLPAHECBQ-ZDUSSCGKSA-N 1 3 310.442 0.979 20 0 DCADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCN2CCC1CC2 ZINC000661987517 418374435 /nfs/dbraw/zinc/37/44/35/418374435.db2.gz RQLTYXNVBKGSIB-INIZCTEOSA-N 1 3 322.453 0.729 20 0 DCADHO O[C@H]1CCN(C2CC[NH+](CC3(O)CCSCC3)CC2)C1 ZINC000662146694 418384273 /nfs/dbraw/zinc/38/42/73/418384273.db2.gz AKJQJHUHRQDMDE-AWEZNQCLSA-N 1 3 300.468 0.776 20 0 DCADHO NCc1cccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)c1 ZINC000662393898 418406938 /nfs/dbraw/zinc/40/69/38/418406938.db2.gz ZACZSBXCWVQBFF-UHFFFAOYSA-N 1 3 300.366 0.914 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000471634121 287517163 /nfs/dbraw/zinc/51/71/63/287517163.db2.gz DMKPUFQABBGUMD-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(C[NH3+])CCCC1 ZINC000237027296 261156823 /nfs/dbraw/zinc/15/68/23/261156823.db2.gz FSKUGYNLEPVGTK-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000354550535 261236060 /nfs/dbraw/zinc/23/60/60/261236060.db2.gz JXRWBVBYJBIFSW-YUELXQCFSA-N 1 3 312.458 0.614 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000354782078 261271806 /nfs/dbraw/zinc/27/18/06/261271806.db2.gz FZMUXVKMXKZMON-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000354782078 261271807 /nfs/dbraw/zinc/27/18/07/261271807.db2.gz FZMUXVKMXKZMON-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000355309183 261329437 /nfs/dbraw/zinc/32/94/37/261329437.db2.gz CFOLVXJAHDLREE-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000355328328 261332399 /nfs/dbraw/zinc/33/23/99/261332399.db2.gz YYVXCMDCUAZLAA-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[C@H](C)N(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000397400917 262163997 /nfs/dbraw/zinc/16/39/97/262163997.db2.gz NBGBNQHLKJYHIF-BARDWOONSA-N 1 3 317.499 0.963 20 0 DCADHO [NH3+]CCN(CCO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416789648 262240195 /nfs/dbraw/zinc/24/01/95/262240195.db2.gz DUSAGCUKMJSBCY-UHFFFAOYSA-N 1 3 320.437 0.614 20 0 DCADHO CN(C)[C@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000416796955 262240275 /nfs/dbraw/zinc/24/02/75/262240275.db2.gz AJMSBTAJNHJLDQ-MRXNPFEDSA-N 1 3 319.453 0.494 20 0 DCADHO C[C@H]1CN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@@H](C)CN1 ZINC000416984127 262243069 /nfs/dbraw/zinc/24/30/69/262243069.db2.gz XNZRLFGUNTVGNO-KBPBESRZSA-N 1 3 311.474 0.404 20 0 DCADHO CC1CC[NH+](CCCCNC(=O)NC[C@H]2CNCCO2)CC1 ZINC000417041780 262244166 /nfs/dbraw/zinc/24/41/66/262244166.db2.gz YYQVFGYVIWIDCV-OAHLLOKOSA-N 1 3 312.458 0.786 20 0 DCADHO COCCN(C)CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417095601 262245430 /nfs/dbraw/zinc/24/54/30/262245430.db2.gz UFDOKRGLYPIFGP-UHFFFAOYSA-N 1 3 300.447 0.644 20 0 DCADHO COCCNCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000417189232 262247401 /nfs/dbraw/zinc/24/74/01/262247401.db2.gz YFWIDZUFHDJJMK-UHFFFAOYSA-N 1 3 300.447 0.785 20 0 DCADHO CN(CCNC(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000417229700 262247941 /nfs/dbraw/zinc/24/79/41/262247941.db2.gz IRSKBHXEWMMJFP-HNNXBMFYSA-N 1 3 306.410 0.488 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417291343 262249548 /nfs/dbraw/zinc/24/95/48/262249548.db2.gz AMAOINAETILNAY-OAHLLOKOSA-N 1 3 312.458 0.914 20 0 DCADHO CN(CC[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417398262 262251383 /nfs/dbraw/zinc/25/13/83/262251383.db2.gz YRCHWPNYINLSAX-UHFFFAOYSA-N 1 3 320.441 0.194 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417434690 262251549 /nfs/dbraw/zinc/25/15/49/262251549.db2.gz ADFUBPXNNRKICY-AWEZNQCLSA-N 1 3 300.447 0.771 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417748348 262260331 /nfs/dbraw/zinc/26/03/31/262260331.db2.gz KIOFCGHMJVKRAE-CQSZACIVSA-N 1 3 311.474 0.441 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)NCCNCCOC)CC1 ZINC000417750971 262260518 /nfs/dbraw/zinc/26/05/18/262260518.db2.gz OGKZKSGAGWWUTF-UHFFFAOYSA-N 1 3 300.447 0.644 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C)CN1 ZINC000417833422 262263023 /nfs/dbraw/zinc/26/30/23/262263023.db2.gz RTNVNMDUBWRSGJ-MBNYWOFBSA-N 1 3 300.472 0.816 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000417826914 262263222 /nfs/dbraw/zinc/26/32/22/262263222.db2.gz NHDCBLZIMQGQBB-GJZGRUSLSA-N 1 3 312.483 0.819 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000417845148 262263747 /nfs/dbraw/zinc/26/37/47/262263747.db2.gz XGSFTQXEKXZWMQ-GJZGRUSLSA-N 1 3 304.438 0.732 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000417949425 262265951 /nfs/dbraw/zinc/26/59/51/262265951.db2.gz KENMMPQSSYQYAM-AWEZNQCLSA-N 1 3 321.425 0.525 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417957653 262266211 /nfs/dbraw/zinc/26/62/11/262266211.db2.gz UTRWAWSQIJPDOG-ZDUSSCGKSA-N 1 3 323.441 0.677 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417987438 262267019 /nfs/dbraw/zinc/26/70/19/262267019.db2.gz HTUTUTYWJSKGBS-BBRMVZONSA-N 1 3 320.437 0.790 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N1CCNC(C)(C)C1 ZINC000417994969 262267090 /nfs/dbraw/zinc/26/70/90/262267090.db2.gz AOIKZQSKDSKQIQ-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CN1CCN(CCNC(=O)NCCC[NH2+]C2CC2)CC1(C)C ZINC000418164244 262271772 /nfs/dbraw/zinc/27/17/72/262271772.db2.gz HGLHKXIWEKMRDR-UHFFFAOYSA-N 1 3 311.474 0.454 20 0 DCADHO CSC1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC000418196973 262272397 /nfs/dbraw/zinc/27/23/97/262272397.db2.gz INCKGFGXVZVGDF-GFCCVEGCSA-N 1 3 300.472 0.865 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000418323377 262274908 /nfs/dbraw/zinc/27/49/08/262274908.db2.gz UTCAWBTURPRJDK-GJZGRUSLSA-N 1 3 312.458 0.378 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000418477855 262278884 /nfs/dbraw/zinc/27/88/84/262278884.db2.gz YPXXPGQFJIQQME-HNNXBMFYSA-N 1 3 313.490 0.783 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418526122 262281426 /nfs/dbraw/zinc/28/14/26/262281426.db2.gz NANAITNYIRFOEG-YOEHRIQHSA-N 1 3 320.437 0.660 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418654251 262285463 /nfs/dbraw/zinc/28/54/63/262285463.db2.gz AHOIXUQUYIYECH-LSDHHAIUSA-N 1 3 312.458 0.594 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[NH2+]1 ZINC000418846369 262292709 /nfs/dbraw/zinc/29/27/09/262292709.db2.gz XVHHXHVPPPAXCG-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000418932924 262299599 /nfs/dbraw/zinc/29/95/99/262299599.db2.gz ICGBBVKRNSBFSP-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419019830 262305497 /nfs/dbraw/zinc/30/54/97/262305497.db2.gz DZIRGYNBPWJFTI-KBUPBQIOSA-N 1 3 324.469 0.419 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](C)CN)c1 ZINC000419017201 262305736 /nfs/dbraw/zinc/30/57/36/262305736.db2.gz GUALXNNIUNVHFB-LBPRGKRZSA-N 1 3 306.410 0.218 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](C)CN)c1 ZINC000419017201 262305738 /nfs/dbraw/zinc/30/57/38/262305738.db2.gz GUALXNNIUNVHFB-LBPRGKRZSA-N 1 3 306.410 0.218 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419072580 262306151 /nfs/dbraw/zinc/30/61/51/262306151.db2.gz BLDNHBLDYUWYCL-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419076390 262306730 /nfs/dbraw/zinc/30/67/30/262306730.db2.gz HMSKUTXKVOETIZ-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419096457 262308729 /nfs/dbraw/zinc/30/87/29/262308729.db2.gz CMWMZFXVZZLQHR-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419103541 262309429 /nfs/dbraw/zinc/30/94/29/262309429.db2.gz GEGOCMCOXJXCMN-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000419104565 262310072 /nfs/dbraw/zinc/31/00/72/262310072.db2.gz MQUDTSRWSJHRED-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419120932 262310500 /nfs/dbraw/zinc/31/05/00/262310500.db2.gz LPRIRBWJUOAWNH-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)CC(C)C ZINC000419128629 262311671 /nfs/dbraw/zinc/31/16/71/262311671.db2.gz WSPLBRAPQICFOJ-KBPBESRZSA-N 1 3 314.474 0.665 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000419155801 262313931 /nfs/dbraw/zinc/31/39/31/262313931.db2.gz ITMSBZZNOAHWQJ-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CCC(C)CC1 ZINC000419161546 262315080 /nfs/dbraw/zinc/31/50/80/262315080.db2.gz RYUULJGBALBHBC-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419166946 262316031 /nfs/dbraw/zinc/31/60/31/262316031.db2.gz IEFDUYGDDNJGRG-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CCCNCC1 ZINC000419222297 262320694 /nfs/dbraw/zinc/32/06/94/262320694.db2.gz BLUJIHZAGOJYFM-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCCNCC1 ZINC000419222297 262320696 /nfs/dbraw/zinc/32/06/96/262320696.db2.gz BLUJIHZAGOJYFM-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419233555 262321933 /nfs/dbraw/zinc/32/19/33/262321933.db2.gz WIJDQFTZXMSSIK-LSDHHAIUSA-N 1 3 322.453 0.235 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419285889 262324374 /nfs/dbraw/zinc/32/43/74/262324374.db2.gz NGYMEKDGIMAEJN-UHFFFAOYSA-N 1 3 312.458 0.612 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419405983 262330640 /nfs/dbraw/zinc/33/06/40/262330640.db2.gz IHXJLYFXVNXFDJ-OAHLLOKOSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCN1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419406351 262330708 /nfs/dbraw/zinc/33/07/08/262330708.db2.gz IPIOAPULDPVRHJ-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000419410478 262331118 /nfs/dbraw/zinc/33/11/18/262331118.db2.gz OKMSQFDAWDKOQJ-YOEHRIQHSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000419409686 262331381 /nfs/dbraw/zinc/33/13/81/262331381.db2.gz NPEVPBBZWUXNOQ-HSBZDZAISA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419592597 262339524 /nfs/dbraw/zinc/33/95/24/262339524.db2.gz SJKMPLHTNCZQIV-MELADBBJSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)N(C)C1CC1 ZINC000419593597 262339608 /nfs/dbraw/zinc/33/96/08/262339608.db2.gz SXIBGPZVNLLOPQ-JSGCOSHPSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)C1 ZINC000419690750 262345103 /nfs/dbraw/zinc/34/51/03/262345103.db2.gz DUSXKHUPGCYYAQ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419693076 262345843 /nfs/dbraw/zinc/34/58/43/262345843.db2.gz IBCSFCMJDQKSRA-KCQAQPDRSA-N 1 3 322.453 0.376 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419697191 262347055 /nfs/dbraw/zinc/34/70/55/262347055.db2.gz QHZNBYOVVAZYPC-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699236 262347387 /nfs/dbraw/zinc/34/73/87/262347387.db2.gz VVMWVHZIFWTMQH-KGLIPLIRSA-N 1 3 324.469 0.609 20 0 DCADHO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419840566 262348730 /nfs/dbraw/zinc/34/87/30/262348730.db2.gz SHXCDMNXXQIBNI-UHFFFAOYSA-N 1 3 312.458 0.422 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCC[C@@H](C)C1 ZINC000419850236 262349427 /nfs/dbraw/zinc/34/94/27/262349427.db2.gz FALVOAILQSQEAM-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419857320 262349719 /nfs/dbraw/zinc/34/97/19/262349719.db2.gz KAFOABBARKJGOQ-CABCVRRESA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000419884659 262351813 /nfs/dbraw/zinc/35/18/13/262351813.db2.gz XTJBGLRWWDIMTP-LMRVLLHPSA-N 1 3 324.469 0.609 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000419912887 262352465 /nfs/dbraw/zinc/35/24/65/262352465.db2.gz XVMIEUZKBNYCHU-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420060541 262358504 /nfs/dbraw/zinc/35/85/04/262358504.db2.gz QQEJKGWDBLELNX-UHFFFAOYSA-N 1 3 310.398 0.023 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420075907 262359526 /nfs/dbraw/zinc/35/95/26/262359526.db2.gz UOFOXSNPLPSEKZ-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420158883 262364809 /nfs/dbraw/zinc/36/48/09/262364809.db2.gz BYCFEIHHCGHYHN-AWEZNQCLSA-N 1 3 308.426 0.013 20 0 DCADHO CC[C@H](C)NC(=O)CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420352829 262370569 /nfs/dbraw/zinc/37/05/69/262370569.db2.gz AVCKXFGCKKDRCD-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H](O)CN ZINC000420351074 262370618 /nfs/dbraw/zinc/37/06/18/262370618.db2.gz IYNARDVDPNOQBV-GOEBONIOSA-N 1 3 305.422 0.822 20 0 DCADHO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H](O)CN ZINC000420351074 262370620 /nfs/dbraw/zinc/37/06/20/262370620.db2.gz IYNARDVDPNOQBV-GOEBONIOSA-N 1 3 305.422 0.822 20 0 DCADHO C[C@@H]1CCN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000420397935 262373003 /nfs/dbraw/zinc/37/30/03/262373003.db2.gz GQCKKSGSOLQIFJ-ZJUUUORDSA-N 1 3 324.347 0.681 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000423721107 262456486 /nfs/dbraw/zinc/45/64/86/262456486.db2.gz OMZFTAJENWPRMH-CYBMUJFWSA-N 1 3 312.458 0.372 20 0 DCADHO NC[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000357274679 271047812 /nfs/dbraw/zinc/04/78/12/271047812.db2.gz YLVNRNRXFMHBCW-HZPDHXFCSA-N 1 3 320.412 0.374 20 0 DCADHO CCN1CCC(NC(=O)CN2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000359036870 271093402 /nfs/dbraw/zinc/09/34/02/271093402.db2.gz FCZKBJUEUKNMJT-GJZGRUSLSA-N 1 3 312.458 0.025 20 0 DCADHO CC(C)[NH+](CCCNC(=O)C(=O)N(C)CCN(C)C)C(C)C ZINC000359398631 271113369 /nfs/dbraw/zinc/11/33/69/271113369.db2.gz LVDNOSORGAWVNS-UHFFFAOYSA-N 1 3 314.474 0.632 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000370765656 271213939 /nfs/dbraw/zinc/21/39/39/271213939.db2.gz FYYNTSOMOVQIED-UHFFFAOYSA-N 1 3 305.422 0.567 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000370765656 271213941 /nfs/dbraw/zinc/21/39/41/271213941.db2.gz FYYNTSOMOVQIED-UHFFFAOYSA-N 1 3 305.422 0.567 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000418732361 271253640 /nfs/dbraw/zinc/25/36/40/271253640.db2.gz UNNYGFWWHYIPNN-KFWWJZLASA-N 1 3 312.458 0.650 20 0 DCADHO NC[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CCCC1 ZINC000418990971 271264636 /nfs/dbraw/zinc/26/46/36/271264636.db2.gz DDCXGTHXYOAELQ-HNNXBMFYSA-N 1 3 324.469 0.612 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419030148 271267569 /nfs/dbraw/zinc/26/75/69/271267569.db2.gz SPHWLLMKMUCJIM-MJBXVCDLSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419031349 271268203 /nfs/dbraw/zinc/26/82/03/271268203.db2.gz VEWFVZPEONJGQU-TUVASFSCSA-N 1 3 324.469 0.337 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)[C@H](C)CN)c1 ZINC000419033382 271270103 /nfs/dbraw/zinc/27/01/03/271270103.db2.gz XDFQZIYKKINZOC-CYBMUJFWSA-N 1 3 320.437 0.560 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)[C@H](C)CN)c1 ZINC000419033382 271270106 /nfs/dbraw/zinc/27/01/06/271270106.db2.gz XDFQZIYKKINZOC-CYBMUJFWSA-N 1 3 320.437 0.560 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1CCC(C)CC1 ZINC000419143497 271275671 /nfs/dbraw/zinc/27/56/71/271275671.db2.gz DNKPDYZGHXYQBM-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)[C@@H]1CN ZINC000419143968 271276368 /nfs/dbraw/zinc/27/63/68/271276368.db2.gz DWLBXYWMJORMDY-DZGCQCFKSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)[C@@H]1C[NH3+] ZINC000419249069 271279700 /nfs/dbraw/zinc/27/97/00/271279700.db2.gz YVIKZBZCZDKUKQ-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC2(N(C)C)CCC2)[C@@H]1C[NH3+] ZINC000419249064 271279948 /nfs/dbraw/zinc/27/99/48/271279948.db2.gz YVIKZBZCZDKUKQ-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419278949 271282250 /nfs/dbraw/zinc/28/22/50/271282250.db2.gz BSASYFVKQCSLAW-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419401044 271289091 /nfs/dbraw/zinc/28/90/91/271289091.db2.gz AGUCBKJDXBVHKH-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419401044 271289094 /nfs/dbraw/zinc/28/90/94/271289094.db2.gz AGUCBKJDXBVHKH-ZDUSSCGKSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000419523020 271298389 /nfs/dbraw/zinc/29/83/89/271298389.db2.gz NSDCOUIBXJWTPX-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419578006 271309477 /nfs/dbraw/zinc/30/94/77/271309477.db2.gz DNQOBOYALFWQRD-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419584523 271310926 /nfs/dbraw/zinc/31/09/26/271310926.db2.gz KWWSALPADCZWDU-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419583983 271310936 /nfs/dbraw/zinc/31/09/36/271310936.db2.gz KUSVKQPBSOAUOX-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419937568 271345643 /nfs/dbraw/zinc/34/56/43/271345643.db2.gz VXQQOWIMZRQOEF-HNNXBMFYSA-N 1 3 318.421 0.357 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000419951322 271349235 /nfs/dbraw/zinc/34/92/35/271349235.db2.gz NEXDAZJQMNFDEG-RDBSUJKOSA-N 1 3 312.458 0.195 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000420127586 271358405 /nfs/dbraw/zinc/35/84/05/271358405.db2.gz SBRIKEAJEIOJSP-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000471659381 272028579 /nfs/dbraw/zinc/02/85/79/272028579.db2.gz QGIQJUDAZYLRLF-GJZGRUSLSA-N 1 3 312.458 0.690 20 0 DCADHO CN(C)CCOCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000471659381 272028582 /nfs/dbraw/zinc/02/85/82/272028582.db2.gz QGIQJUDAZYLRLF-GJZGRUSLSA-N 1 3 312.458 0.690 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000487186800 272038653 /nfs/dbraw/zinc/03/86/53/272038653.db2.gz LFNSRGLYTXJMIT-OAHLLOKOSA-N 1 3 310.486 0.861 20 0 DCADHO CN(C)C/C=C\C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000491852004 272107476 /nfs/dbraw/zinc/10/74/76/272107476.db2.gz SAONOUJHQMVDAA-QKIRZYONSA-N 1 3 308.470 0.733 20 0 DCADHO CN(C)C/C=C\C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000491852004 272107480 /nfs/dbraw/zinc/10/74/80/272107480.db2.gz SAONOUJHQMVDAA-QKIRZYONSA-N 1 3 308.470 0.733 20 0 DCADHO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000497223505 272376861 /nfs/dbraw/zinc/37/68/61/272376861.db2.gz WNEPXHPRPCRYEV-CHWSQXEVSA-N 1 3 312.414 0.147 20 0 DCADHO COC(=O)[C@@]1(C)CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000415144270 277113452 /nfs/dbraw/zinc/11/34/52/277113452.db2.gz VBSBMLLGJZOLSB-CJNGLKHVSA-N 1 3 311.426 0.459 20 0 DCADHO COC(=O)[C@@]1(C)CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000415144270 277113454 /nfs/dbraw/zinc/11/34/54/277113454.db2.gz VBSBMLLGJZOLSB-CJNGLKHVSA-N 1 3 311.426 0.459 20 0 DCADHO C[C@@H]1C[C@H](NCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000164199004 278025639 /nfs/dbraw/zinc/02/56/39/278025639.db2.gz CRLVDIRZVWNGJB-HZPDHXFCSA-N 1 3 318.469 0.671 20 0 DCADHO C[C@@H]1C[C@H](NCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000164199004 278025640 /nfs/dbraw/zinc/02/56/40/278025640.db2.gz CRLVDIRZVWNGJB-HZPDHXFCSA-N 1 3 318.469 0.671 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419973879 279135198 /nfs/dbraw/zinc/13/51/98/279135198.db2.gz HKQLJQVRIRMEKM-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353474894 288356921 /nfs/dbraw/zinc/35/69/21/288356921.db2.gz WUQYTUZUDVGWSG-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000555704864 288360523 /nfs/dbraw/zinc/36/05/23/288360523.db2.gz BLUZNABEZXEVOU-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO COc1cc(CC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1O ZINC000562513026 288581602 /nfs/dbraw/zinc/58/16/02/288581602.db2.gz KMUZEKHVQLUFBZ-UHFFFAOYSA-N 1 3 323.437 0.895 20 0 DCADHO CN(C)[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1O ZINC000564101892 288726739 /nfs/dbraw/zinc/72/67/39/288726739.db2.gz ZIXSQFKXTODZRL-JYJNAYRXSA-N 1 3 305.422 0.813 20 0 DCADHO CCCNC(=O)CN1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000565416063 288850577 /nfs/dbraw/zinc/85/05/77/288850577.db2.gz OBJQXJMEDOYHSR-ZBFHGGJFSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@H](O)CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@H]1C ZINC000279012980 290109551 /nfs/dbraw/zinc/10/95/51/290109551.db2.gz NTLDIBFINBEPPK-FRRDWIJNSA-N 1 3 321.425 0.014 20 0 DCADHO C[C@@H]1CN(CCN2CCO[C@@H](C)C2)CC[N@H+]1C1CCN(C)CC1 ZINC000337296230 297003391 /nfs/dbraw/zinc/00/33/91/297003391.db2.gz JILXFGCHDJXPLO-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN(CCN2CCO[C@@H](C)C2)CC[N@@H+]1C1CCN(C)CC1 ZINC000337296230 297003394 /nfs/dbraw/zinc/00/33/94/297003394.db2.gz JILXFGCHDJXPLO-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1CN(CCN2CCO[C@@H](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000337296230 297003397 /nfs/dbraw/zinc/00/33/97/297003397.db2.gz JILXFGCHDJXPLO-SJORKVTESA-N 1 3 324.513 0.807 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000331730182 295256381 /nfs/dbraw/zinc/25/63/81/295256381.db2.gz PKZNAUVOKWPUSP-SOUVJXGZSA-N 1 3 322.453 0.317 20 0 DCADHO COc1ccnc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000582901793 337213067 /nfs/dbraw/zinc/21/30/67/337213067.db2.gz XZOXERWLLUTDSC-UHFFFAOYSA-N 1 3 324.429 0.120 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000583322589 337315708 /nfs/dbraw/zinc/31/57/08/337315708.db2.gz PIDHRECSIUBEBQ-STQMWFEESA-N 1 3 302.802 0.387 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCCF)CCOCC2)CC[N@@H+]1C ZINC001446698220 1159505293 /nfs/dbraw/zinc/50/52/93/1159505293.db2.gz AOJVVLMHSVQRRO-CHWSQXEVSA-N 1 3 301.406 0.551 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC2(NCCF)CCOCC2)CC[N@H+]1C ZINC001446698220 1159505298 /nfs/dbraw/zinc/50/52/98/1159505298.db2.gz AOJVVLMHSVQRRO-CHWSQXEVSA-N 1 3 301.406 0.551 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CCO1 ZINC000262707484 521881829 /nfs/dbraw/zinc/88/18/29/521881829.db2.gz DOPKSFHZMCNFGE-KBPBESRZSA-N 1 3 321.425 0.210 20 0 DCADHO C[NH2+]CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000237384353 522007573 /nfs/dbraw/zinc/00/75/73/522007573.db2.gz KSLOPRIEPZICIS-UHFFFAOYSA-N 1 3 304.438 0.843 20 0 DCADHO C[NH+](C)C1CCN(CCNC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000237083610 524039792 /nfs/dbraw/zinc/03/97/92/524039792.db2.gz HBAFXHKVEBABQT-QGZVFWFLSA-N 1 3 318.465 0.871 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000410473834 527730612 /nfs/dbraw/zinc/73/06/12/527730612.db2.gz WAHAMCWYSMNFEW-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C(=O)C(=O)N(C)CCN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000423658036 535186386 /nfs/dbraw/zinc/18/63/86/535186386.db2.gz FBJSCMKHXNATRI-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CNC(=O)[C@H](C)CN(C)[C@H](C)CC[N@H+](C)C[C@@H](C)C(=O)NC ZINC000153663416 545832932 /nfs/dbraw/zinc/83/29/32/545832932.db2.gz KJPFTJYDLNXFJE-MGPQQGTHSA-N 1 3 314.474 0.393 20 0 DCADHO CNC(=O)[C@H](C)CN(C)[C@H](C)CC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000153663416 545832936 /nfs/dbraw/zinc/83/29/36/545832936.db2.gz KJPFTJYDLNXFJE-MGPQQGTHSA-N 1 3 314.474 0.393 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000167406902 545877567 /nfs/dbraw/zinc/87/75/67/545877567.db2.gz WNZWWZSXKVUIPU-UHFFFAOYSA-N 1 3 310.442 0.271 20 0 DCADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H](C)[NH3+])CC2)c1 ZINC000194890043 545933610 /nfs/dbraw/zinc/93/36/10/545933610.db2.gz BDKAFAFAPHTNLU-HNNXBMFYSA-N 1 3 304.438 0.971 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000333655283 546087736 /nfs/dbraw/zinc/08/77/36/546087736.db2.gz KOCMCPYHHIKADG-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333716617 546089879 /nfs/dbraw/zinc/08/98/79/546089879.db2.gz TXOKTLZXFKUDPT-UONOGXRCSA-N 1 3 315.425 0.634 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000418177619 546245543 /nfs/dbraw/zinc/24/55/43/546245543.db2.gz VUPSVPKRDSJYQL-UONOGXRCSA-N 1 3 311.474 0.582 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000638069441 546336782 /nfs/dbraw/zinc/33/67/82/546336782.db2.gz PDHBPGYXFODIMH-FPMFFAJLSA-N 1 3 301.456 0.307 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CO)C1 ZINC000665759090 546393009 /nfs/dbraw/zinc/39/30/09/546393009.db2.gz ZDPDBOWRDZSYPR-KBPBESRZSA-N 1 3 300.447 0.282 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CO)C1 ZINC000665759090 546393011 /nfs/dbraw/zinc/39/30/11/546393011.db2.gz ZDPDBOWRDZSYPR-KBPBESRZSA-N 1 3 300.447 0.282 20 0 DCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000666754113 546504589 /nfs/dbraw/zinc/50/45/89/546504589.db2.gz GPNCSWKIGPXCBR-KKUMJFAQSA-N 1 3 312.458 0.423 20 0 DCADHO C[NH+](C)CC(C)(C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666978157 546539989 /nfs/dbraw/zinc/53/99/89/546539989.db2.gz RZWNOULEWWVIDR-CQSZACIVSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000667264683 546580012 /nfs/dbraw/zinc/58/00/12/546580012.db2.gz UFBYERABXDOOBR-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC(=O)N1 ZINC000667811563 546656713 /nfs/dbraw/zinc/65/67/13/546656713.db2.gz PKCJBCLBKSNQLE-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CC(=O)N1 ZINC000667811563 546656718 /nfs/dbraw/zinc/65/67/18/546656718.db2.gz PKCJBCLBKSNQLE-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000668670859 546817996 /nfs/dbraw/zinc/81/79/96/546817996.db2.gz SDPOOZPQGZWCTQ-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CCO1 ZINC000669303736 546953376 /nfs/dbraw/zinc/95/33/76/546953376.db2.gz QQLTYJBNUXYZKC-KBUPBQIOSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000669389525 546965484 /nfs/dbraw/zinc/96/54/84/546965484.db2.gz KPQKGDCBELGUCW-LBPRGKRZSA-N 1 3 300.472 0.994 20 0 DCADHO COCCCN1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669451125 546972698 /nfs/dbraw/zinc/97/26/98/546972698.db2.gz SLXYDMMSXQBJFJ-OAHLLOKOSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CCC[NH2+]CC2)CCCO1 ZINC000669570910 546992720 /nfs/dbraw/zinc/99/27/20/546992720.db2.gz ONHLYDJFFGRLGB-CABCVRRESA-N 1 3 312.458 0.929 20 0 DCADHO CN1CCN(CCNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1(C)C ZINC000669580246 546993817 /nfs/dbraw/zinc/99/38/17/546993817.db2.gz QTUBKPFDXJGMGD-LSDHHAIUSA-N 1 3 323.485 0.406 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000672010779 547311932 /nfs/dbraw/zinc/31/19/32/547311932.db2.gz FEQNLCGRKHRJMO-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1C[C@H](C)[C@H](NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672013876 547312765 /nfs/dbraw/zinc/31/27/65/547312765.db2.gz OMTVOCHLILLFQY-KCQAQPDRSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672098275 547318713 /nfs/dbraw/zinc/31/87/13/547318713.db2.gz GOVWVHGLXITORM-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672098275 547318716 /nfs/dbraw/zinc/31/87/16/547318716.db2.gz GOVWVHGLXITORM-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCn1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000673159736 547453608 /nfs/dbraw/zinc/45/36/08/547453608.db2.gz XIYSTTSSNSJNFJ-UHFFFAOYSA-N 1 3 310.446 0.538 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000673519720 547493730 /nfs/dbraw/zinc/49/37/30/547493730.db2.gz DSFLRGOCNQAXKE-KRWDZBQOSA-N 1 3 319.449 0.937 20 0 DCADHO C[C@@H](CN1CC[C@H](CC(N)=O)C1)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676908910 547832597 /nfs/dbraw/zinc/83/25/97/547832597.db2.gz QRXOTBUFLLOROQ-BTTYYORXSA-N 1 3 310.442 0.017 20 0 DCADHO C[C@@H](CN1CC[C@H](CC(N)=O)C1)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676908910 547832602 /nfs/dbraw/zinc/83/26/02/547832602.db2.gz QRXOTBUFLLOROQ-BTTYYORXSA-N 1 3 310.442 0.017 20 0 DCADHO C[C@H](CN1CC[C@@H](CC(N)=O)C1)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676908910 547832605 /nfs/dbraw/zinc/83/26/05/547832605.db2.gz QRXOTBUFLLOROQ-BTTYYORXSA-N 1 3 310.442 0.017 20 0 DCADHO C[C@H](CN1CC[C@@H](CC(N)=O)C1)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000676908910 547832609 /nfs/dbraw/zinc/83/26/09/547832609.db2.gz QRXOTBUFLLOROQ-BTTYYORXSA-N 1 3 310.442 0.017 20 0 DCADHO C[C@@H](CS(C)(=O)=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678771899 548003201 /nfs/dbraw/zinc/00/32/01/548003201.db2.gz ROLBWJXDGGSBOV-STQMWFEESA-N 1 3 303.472 0.178 20 0 DCADHO CCCN1CCC([NH2+]C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000678774301 548003840 /nfs/dbraw/zinc/00/38/40/548003840.db2.gz HQCFRQHNIJMCOM-CQSZACIVSA-N 1 3 303.472 0.874 20 0 DCADHO COC1CCN(CCNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000682123251 548352023 /nfs/dbraw/zinc/35/20/23/548352023.db2.gz SMRHXCDFGHYBOI-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC000683364208 548473497 /nfs/dbraw/zinc/47/34/97/548473497.db2.gz UCFBGLWKYOUSIG-KBPBESRZSA-N 1 3 314.474 0.676 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000683364208 548473500 /nfs/dbraw/zinc/47/35/00/548473500.db2.gz UCFBGLWKYOUSIG-KBPBESRZSA-N 1 3 314.474 0.676 20 0 DCADHO CN(CCCO)C1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684200302 548582709 /nfs/dbraw/zinc/58/27/09/548582709.db2.gz QXBPHWVLIKMMAD-AWEZNQCLSA-N 1 3 307.442 0.703 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001673288625 1175186227 /nfs/dbraw/zinc/18/62/27/1175186227.db2.gz MJBMJJOJQGRBMC-GJZGRUSLSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001673288625 1175186232 /nfs/dbraw/zinc/18/62/32/1175186232.db2.gz MJBMJJOJQGRBMC-GJZGRUSLSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)N2CCC[C@H]([N@H+](C)CCF)C2)C1 ZINC001027546930 660411093 /nfs/dbraw/zinc/41/10/93/660411093.db2.gz OULOXAHRMDMNGI-GJZGRUSLSA-N 1 3 315.433 0.988 20 0 DCADHO CC(C)N1CCO[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CCF)C2)C1 ZINC001027546930 660411094 /nfs/dbraw/zinc/41/10/94/660411094.db2.gz OULOXAHRMDMNGI-GJZGRUSLSA-N 1 3 315.433 0.988 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1)N(C)C ZINC001027580064 660470767 /nfs/dbraw/zinc/47/07/67/660470767.db2.gz TWXBJIYSZKUTEK-GJZGRUSLSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1)N(C)C ZINC001027580064 660470768 /nfs/dbraw/zinc/47/07/68/660470768.db2.gz TWXBJIYSZKUTEK-GJZGRUSLSA-N 1 3 322.457 0.541 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC000998152382 665406950 /nfs/dbraw/zinc/40/69/50/665406950.db2.gz XTZBWIYGLZMRKN-KCQAQPDRSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC000998152382 665406952 /nfs/dbraw/zinc/40/69/52/665406952.db2.gz XTZBWIYGLZMRKN-KCQAQPDRSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)(C)NS(=O)(=O)C1(CN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000925764571 660818800 /nfs/dbraw/zinc/81/88/00/660818800.db2.gz HCOROSRHSLPFGX-RYUDHWBXSA-N 1 3 303.472 0.954 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3CN(CC(N)=O)C[C@H]3C2)CC1 ZINC000980178181 660884318 /nfs/dbraw/zinc/88/43/18/660884318.db2.gz ONSOLKUHJIHKRX-RBSFLKMASA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H](O)CN1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889504 660888831 /nfs/dbraw/zinc/88/88/31/660888831.db2.gz ASVZFBVVLXJYEA-KGLIPLIRSA-N 1 3 323.441 0.020 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000925771456 660906152 /nfs/dbraw/zinc/90/61/52/660906152.db2.gz YRYZSOSCFVYPJA-IKGGRYGDSA-N 1 3 310.486 0.371 20 0 DCADHO COC(=O)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262558740 660971785 /nfs/dbraw/zinc/97/17/85/660971785.db2.gz UTOVDBYLZWNYOG-MRXNPFEDSA-N 1 3 303.406 0.953 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2cncn2C)CN1C(=O)CN1CCCC1 ZINC000980799707 661015505 /nfs/dbraw/zinc/01/55/05/661015505.db2.gz KLVSSBCBJZYMLJ-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCCO)C3)C1 ZINC000982013076 661272821 /nfs/dbraw/zinc/27/28/21/661272821.db2.gz KJHIHMUKAJEPPY-OAHLLOKOSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCCO)C3)C1 ZINC000982013076 661272822 /nfs/dbraw/zinc/27/28/22/661272822.db2.gz KJHIHMUKAJEPPY-OAHLLOKOSA-N 1 3 309.454 0.635 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000998167493 665409326 /nfs/dbraw/zinc/40/93/26/665409326.db2.gz FKLINZCMPUVPGS-KCQAQPDRSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)N(C)C ZINC000998167493 665409329 /nfs/dbraw/zinc/40/93/29/665409329.db2.gz FKLINZCMPUVPGS-KCQAQPDRSA-N 1 3 324.469 0.384 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998548425 665478471 /nfs/dbraw/zinc/47/84/71/665478471.db2.gz IAUYOQHSPNLBGK-SSDMNJCBSA-N 1 3 305.426 0.593 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891580071 657498478 /nfs/dbraw/zinc/49/84/78/657498478.db2.gz UAENXEQGYHRKCO-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCn3cncn3)C2)CCC1 ZINC000971674737 657545924 /nfs/dbraw/zinc/54/59/24/657545924.db2.gz WFSZARNVMZLQPU-AWEZNQCLSA-N 1 3 320.441 0.295 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCn3cncn3)C2)CCC1 ZINC000971674737 657545932 /nfs/dbraw/zinc/54/59/32/657545932.db2.gz WFSZARNVMZLQPU-AWEZNQCLSA-N 1 3 320.441 0.295 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000970479606 657556790 /nfs/dbraw/zinc/55/67/90/657556790.db2.gz XABWLCFCIVEJQL-GOEBONIOSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970479606 657556795 /nfs/dbraw/zinc/55/67/95/657556795.db2.gz XABWLCFCIVEJQL-GOEBONIOSA-N 1 3 319.453 0.761 20 0 DCADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1)C1CCC1 ZINC000971686654 657562855 /nfs/dbraw/zinc/56/28/55/657562855.db2.gz DDTBOIQOHKTLSH-HNNXBMFYSA-N 1 3 320.441 0.295 20 0 DCADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1)C1CCC1 ZINC000971686654 657562858 /nfs/dbraw/zinc/56/28/58/657562858.db2.gz DDTBOIQOHKTLSH-HNNXBMFYSA-N 1 3 320.441 0.295 20 0 DCADHO Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000998722625 665511739 /nfs/dbraw/zinc/51/17/39/665511739.db2.gz OVZIFSNAFGXGBQ-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000892004891 658097321 /nfs/dbraw/zinc/09/73/21/658097321.db2.gz JIVUGJQYMDLJIO-AWEZNQCLSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892079093 658167831 /nfs/dbraw/zinc/16/78/31/658167831.db2.gz VALDTOMGWTZCDD-DAXOMENPSA-N 1 3 302.422 0.998 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679864 658213033 /nfs/dbraw/zinc/21/30/33/658213033.db2.gz SZUADSNFYJDWHO-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO COCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679864 658213041 /nfs/dbraw/zinc/21/30/41/658213041.db2.gz SZUADSNFYJDWHO-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926363072 658232052 /nfs/dbraw/zinc/23/20/52/658232052.db2.gz QFKOIYXRCYERHP-ZIAGYGMSSA-N 1 3 312.458 0.228 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCOC3)C2)C1 ZINC001022716420 658371604 /nfs/dbraw/zinc/37/16/04/658371604.db2.gz XJQGMLUTYIUQIZ-FPCVCCKLSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001022720528 658384885 /nfs/dbraw/zinc/38/48/85/658384885.db2.gz RIHGYFXBZBBIMA-CXTNEJHOSA-N 1 3 305.426 0.355 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccnn2C)C1 ZINC001022720528 658384895 /nfs/dbraw/zinc/38/48/95/658384895.db2.gz RIHGYFXBZBBIMA-CXTNEJHOSA-N 1 3 305.426 0.355 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001024180317 658510866 /nfs/dbraw/zinc/51/08/66/658510866.db2.gz VKPOXNFNHYBYCR-GXTWGEPZSA-N 1 3 319.409 0.059 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001024180449 658511371 /nfs/dbraw/zinc/51/13/71/658511371.db2.gz XXAOZGFZHKCYOE-KGLIPLIRSA-N 1 3 306.410 0.817 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCCC1 ZINC000999155053 665589156 /nfs/dbraw/zinc/58/91/56/665589156.db2.gz VGWGQEJXLLVEMJ-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518429 665591197 /nfs/dbraw/zinc/59/11/97/665591197.db2.gz UISUMBCYNGWBAQ-BYNSBNAKSA-N 1 3 322.453 0.125 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518429 665591198 /nfs/dbraw/zinc/59/11/98/665591198.db2.gz UISUMBCYNGWBAQ-BYNSBNAKSA-N 1 3 322.453 0.125 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001020929071 658591137 /nfs/dbraw/zinc/59/11/37/658591137.db2.gz UQBZEXNHJJMHRY-KKUMJFAQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001020929071 658591146 /nfs/dbraw/zinc/59/11/46/658591146.db2.gz UQBZEXNHJJMHRY-KKUMJFAQSA-N 1 3 317.437 0.864 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001020980242 658649508 /nfs/dbraw/zinc/64/95/08/658649508.db2.gz AYGSDSJFHAWFAM-MGPQQGTHSA-N 1 3 306.410 0.924 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1 ZINC001020981954 658650676 /nfs/dbraw/zinc/65/06/76/658650676.db2.gz UNVCKMDGJKHWRY-HDJSIYSDSA-N 1 3 306.410 0.924 20 0 DCADHO CC[NH+](CC)CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891413655 658714921 /nfs/dbraw/zinc/71/49/21/658714921.db2.gz ZUBICAPMZIXMKO-GJZGRUSLSA-N 1 3 312.458 0.569 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021044824 658720899 /nfs/dbraw/zinc/72/08/99/658720899.db2.gz VHHUUIUTNTYNIX-MGPQQGTHSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021044824 658720906 /nfs/dbraw/zinc/72/09/06/658720906.db2.gz VHHUUIUTNTYNIX-MGPQQGTHSA-N 1 3 303.410 0.474 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3cncc(F)c3)C2)C1 ZINC001021047695 658726188 /nfs/dbraw/zinc/72/61/88/658726188.db2.gz LSTBUVHTJJLFSC-BPLDGKMQSA-N 1 3 306.385 0.909 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3cncc(F)c3)C2)C1 ZINC001021047695 658726194 /nfs/dbraw/zinc/72/61/94/658726194.db2.gz LSTBUVHTJJLFSC-BPLDGKMQSA-N 1 3 306.385 0.909 20 0 DCADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001021089419 658750717 /nfs/dbraw/zinc/75/07/17/658750717.db2.gz CHNXEKVLSGWUTC-DAXOMENPSA-N 1 3 305.422 0.979 20 0 DCADHO COCCN(C)CCNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891493728 658890940 /nfs/dbraw/zinc/89/09/40/658890940.db2.gz ZPZJAYBMZFMOCS-MRXNPFEDSA-N 1 3 312.458 0.740 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925716226 658977084 /nfs/dbraw/zinc/97/70/84/658977084.db2.gz MHWIEEUIXKQTDE-KGLIPLIRSA-N 1 3 305.426 0.899 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)CCC1 ZINC000999350004 665633919 /nfs/dbraw/zinc/63/39/19/665633919.db2.gz VRMUTHRHIJFXSC-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027171008 659056883 /nfs/dbraw/zinc/05/68/83/659056883.db2.gz SKABZCFIFQBMCT-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1cc(CNC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027171008 659056886 /nfs/dbraw/zinc/05/68/86/659056886.db2.gz SKABZCFIFQBMCT-UONOGXRCSA-N 1 3 320.441 0.095 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001027171307 659057573 /nfs/dbraw/zinc/05/75/73/659057573.db2.gz XMTCTZHCXVZTGT-KBPBESRZSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001027171307 659057575 /nfs/dbraw/zinc/05/75/75/659057575.db2.gz XMTCTZHCXVZTGT-KBPBESRZSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001027171310 659059248 /nfs/dbraw/zinc/05/92/48/659059248.db2.gz XMTCTZHCXVZTGT-ZIAGYGMSSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001027171310 659059252 /nfs/dbraw/zinc/05/92/52/659059252.db2.gz XMTCTZHCXVZTGT-ZIAGYGMSSA-N 1 3 320.441 0.393 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC001027334895 659265689 /nfs/dbraw/zinc/26/56/89/659265689.db2.gz XGXNPMLTBWSAFJ-JKSUJKDBSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC001027334895 659265692 /nfs/dbraw/zinc/26/56/92/659265692.db2.gz XGXNPMLTBWSAFJ-JKSUJKDBSA-N 1 3 319.453 0.900 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000925581299 659286556 /nfs/dbraw/zinc/28/65/56/659286556.db2.gz ROEKHRGHMDBAGS-BXUZGUMPSA-N 1 3 301.456 0.673 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)CCCO1 ZINC000892790186 659458421 /nfs/dbraw/zinc/45/84/21/659458421.db2.gz YYKCSLPPMIXZAD-CVEARBPZSA-N 1 3 318.421 0.460 20 0 DCADHO CCn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734487 659491352 /nfs/dbraw/zinc/49/13/52/659491352.db2.gz ODOGYVFQVJZJJB-UKRRQHHQSA-N 1 3 320.441 0.330 20 0 DCADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799042 659565198 /nfs/dbraw/zinc/56/51/98/659565198.db2.gz QFJGDYYOVCBYCJ-ZOFXXKQRSA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799042 659565201 /nfs/dbraw/zinc/56/52/01/659565201.db2.gz QFJGDYYOVCBYCJ-ZOFXXKQRSA-N 1 3 319.449 0.862 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798886 659565803 /nfs/dbraw/zinc/56/58/03/659565803.db2.gz OGOUEENSTRWWEM-MRLBHPIUSA-N 1 3 311.401 0.256 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798886 659565805 /nfs/dbraw/zinc/56/58/05/659565805.db2.gz OGOUEENSTRWWEM-MRLBHPIUSA-N 1 3 311.401 0.256 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001026891538 659626205 /nfs/dbraw/zinc/62/62/05/659626205.db2.gz XOWBGCWFOIQKOO-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1)C1CC1 ZINC001026887926 659627863 /nfs/dbraw/zinc/62/78/63/659627863.db2.gz YGTGGCLOGAUXAU-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CC(C)[C@H](C(=O)N1CC(NC(=O)CN2CCC[C@H]2C)C1)[NH+](C)C ZINC000999846404 665690793 /nfs/dbraw/zinc/69/07/93/665690793.db2.gz DDETUIRCUIHRBH-CZUORRHYSA-N 1 3 324.469 0.384 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)n1 ZINC001026921176 659639419 /nfs/dbraw/zinc/63/94/19/659639419.db2.gz NVSBNWKKDSFBPM-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC001026921524 659640178 /nfs/dbraw/zinc/64/01/78/659640178.db2.gz SVXAZFPKVZBJHF-TZMCWYRMSA-N 1 3 323.466 0.961 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cnns2)C1)N(C)C ZINC001026916558 659641258 /nfs/dbraw/zinc/64/12/58/659641258.db2.gz KEXIFSIWBADCST-WCQYABFASA-N 1 3 311.455 0.816 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)C1 ZINC001026043097 659759284 /nfs/dbraw/zinc/75/92/84/659759284.db2.gz ALCVKJZSSQMBNV-NBFUAULTSA-N 1 3 307.438 0.411 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)C1 ZINC001026043097 659759287 /nfs/dbraw/zinc/75/92/87/659759287.db2.gz ALCVKJZSSQMBNV-NBFUAULTSA-N 1 3 307.438 0.411 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2nccn2C)C1 ZINC001027063522 659759566 /nfs/dbraw/zinc/75/95/66/659759566.db2.gz MYIVLDSPCFBDKR-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2nccn2C)C1 ZINC001027063522 659759570 /nfs/dbraw/zinc/75/95/70/659759570.db2.gz MYIVLDSPCFBDKR-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1)OC ZINC001026043564 659759823 /nfs/dbraw/zinc/75/98/23/659759823.db2.gz NBYHBPUUHBMXNS-LVNYTYFRSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1)OC ZINC001026043564 659759828 /nfs/dbraw/zinc/75/98/28/659759828.db2.gz NBYHBPUUHBMXNS-LVNYTYFRSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]32)C1 ZINC001026043533 659760495 /nfs/dbraw/zinc/76/04/95/659760495.db2.gz JQUMJZAXVDZSHY-OCABDXPQSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@H]32)C1 ZINC001026043533 659760499 /nfs/dbraw/zinc/76/04/99/659760499.db2.gz JQUMJZAXVDZSHY-OCABDXPQSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000999869921 665704400 /nfs/dbraw/zinc/70/44/00/665704400.db2.gz JJKDCUZWOCLQCZ-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000999869921 665704401 /nfs/dbraw/zinc/70/44/01/665704401.db2.gz JJKDCUZWOCLQCZ-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@H]3CCCCN3C)C2)C1 ZINC000999877677 665705893 /nfs/dbraw/zinc/70/58/93/665705893.db2.gz PMWORBPTOJILGF-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CCCCN3C)C2)C1 ZINC000999877677 665705895 /nfs/dbraw/zinc/70/58/95/665705895.db2.gz PMWORBPTOJILGF-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](CCCO)C[C@]3(C)C2)C1 ZINC000982557565 661566833 /nfs/dbraw/zinc/56/68/33/661566833.db2.gz QZYVLNCIEMSUJD-RYQLBKOJSA-N 1 3 323.481 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](CCCO)C[C@]3(C)C2)C1 ZINC000982557565 661566836 /nfs/dbraw/zinc/56/68/36/661566836.db2.gz QZYVLNCIEMSUJD-RYQLBKOJSA-N 1 3 323.481 0.881 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001000230113 665789798 /nfs/dbraw/zinc/78/97/98/665789798.db2.gz ZGBCIRHKAOWAFY-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779025 661821470 /nfs/dbraw/zinc/82/14/70/661821470.db2.gz SGIJBWLIOUXLAX-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCN(C)CCOC ZINC000726907014 661962642 /nfs/dbraw/zinc/96/26/42/661962642.db2.gz AOHZDJZHOIOKPP-ZDUSSCGKSA-N 1 3 302.488 0.513 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCN(C)CCOC ZINC000726907014 661962644 /nfs/dbraw/zinc/96/26/44/661962644.db2.gz AOHZDJZHOIOKPP-ZDUSSCGKSA-N 1 3 302.488 0.513 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000985123045 662371297 /nfs/dbraw/zinc/37/12/97/662371297.db2.gz IXQSHUDXRKECES-SRVKXCTJSA-N 1 3 309.439 0.474 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000985123045 662371300 /nfs/dbraw/zinc/37/13/00/662371300.db2.gz IXQSHUDXRKECES-SRVKXCTJSA-N 1 3 309.439 0.474 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000985656251 662497198 /nfs/dbraw/zinc/49/71/98/662497198.db2.gz MMAUJHLEPJACIT-KGLIPLIRSA-N 1 3 312.458 0.513 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000985656251 662497199 /nfs/dbraw/zinc/49/71/99/662497199.db2.gz MMAUJHLEPJACIT-KGLIPLIRSA-N 1 3 312.458 0.513 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985803691 662515296 /nfs/dbraw/zinc/51/52/96/662515296.db2.gz IJKLBYHSWZGAQX-ZFWWWQNUSA-N 1 3 324.469 0.657 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985803691 662515297 /nfs/dbraw/zinc/51/52/97/662515297.db2.gz IJKLBYHSWZGAQX-ZFWWWQNUSA-N 1 3 324.469 0.657 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001000546348 665878818 /nfs/dbraw/zinc/87/88/18/665878818.db2.gz ONYRAQJHLZCDOK-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829993 662622997 /nfs/dbraw/zinc/62/29/97/662622997.db2.gz SWSLYGKAFRIZIK-XJKSGUPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986832813 662623348 /nfs/dbraw/zinc/62/33/48/662623348.db2.gz YIHFUXSNDKAYIG-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987058890 662638859 /nfs/dbraw/zinc/63/88/59/662638859.db2.gz NPZWOCYJKUQVKH-OCCSQVGLSA-N 1 3 302.382 0.428 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC000987524472 662685764 /nfs/dbraw/zinc/68/57/64/662685764.db2.gz LYZYFVSUVDORMT-HOCLYGCPSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)CN1CCCC1 ZINC000987534820 662686634 /nfs/dbraw/zinc/68/66/34/662686634.db2.gz WNVFHXJXSXIEIS-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000688723 665909737 /nfs/dbraw/zinc/90/97/37/665909737.db2.gz MPOILYYPAPJZHJ-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000688723 665909739 /nfs/dbraw/zinc/90/97/39/665909739.db2.gz MPOILYYPAPJZHJ-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001000689543 665910613 /nfs/dbraw/zinc/91/06/13/665910613.db2.gz QEFXZLOOQMFEFB-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000689543 665910614 /nfs/dbraw/zinc/91/06/14/665910614.db2.gz QEFXZLOOQMFEFB-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1C[C@@H](NCCF)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618291 662965002 /nfs/dbraw/zinc/96/50/02/662965002.db2.gz HJNBTTGDYSKWBP-QWHCGFSZSA-N 1 3 301.406 0.646 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000713815 665920900 /nfs/dbraw/zinc/92/09/00/665920900.db2.gz XFFXUJNHSNFXPZ-CQSZACIVSA-N 1 3 317.437 0.597 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2)N(C)C ZINC001040251399 663041932 /nfs/dbraw/zinc/04/19/32/663041932.db2.gz XQHWDTLEBKFNCI-RDJZCZTQSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2)N(C)C ZINC001040251399 663041933 /nfs/dbraw/zinc/04/19/33/663041933.db2.gz XQHWDTLEBKFNCI-RDJZCZTQSA-N 1 3 311.470 0.879 20 0 DCADHO C[NH+](C)C1(CN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CCC1 ZINC000924667761 663075466 /nfs/dbraw/zinc/07/54/66/663075466.db2.gz NNKHSNCTFLVGDZ-ZDUSSCGKSA-N 1 3 308.426 0.877 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001030020938 663086823 /nfs/dbraw/zinc/08/68/23/663086823.db2.gz ZJHZQQJRJYWMGD-RRFJBIMHSA-N 1 3 324.469 0.432 20 0 DCADHO C[N@H+](CCO)CCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000899733855 663187328 /nfs/dbraw/zinc/18/73/28/663187328.db2.gz LCRMFAROTFCHCH-UHFFFAOYSA-N 1 3 314.389 0.901 20 0 DCADHO C[N@@H+](CCO)CCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000899733855 663187331 /nfs/dbraw/zinc/18/73/31/663187331.db2.gz LCRMFAROTFCHCH-UHFFFAOYSA-N 1 3 314.389 0.901 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000899991780 663207811 /nfs/dbraw/zinc/20/78/11/663207811.db2.gz ZLZBQNVICQYDOT-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000899991780 663207815 /nfs/dbraw/zinc/20/78/15/663207815.db2.gz ZLZBQNVICQYDOT-HZPDHXFCSA-N 1 3 308.470 0.757 20 0 DCADHO COCCN1CCC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900605747 663260380 /nfs/dbraw/zinc/26/03/80/663260380.db2.gz LNGVWXDSYPTVLB-HOCLYGCPSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CCC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900605747 663260381 /nfs/dbraw/zinc/26/03/81/663260381.db2.gz LNGVWXDSYPTVLB-HOCLYGCPSA-N 1 3 313.442 0.060 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000900626183 663263825 /nfs/dbraw/zinc/26/38/25/663263825.db2.gz HBCAPDLYAITISQ-CQSZACIVSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000900626183 663263827 /nfs/dbraw/zinc/26/38/27/663263827.db2.gz HBCAPDLYAITISQ-CQSZACIVSA-N 1 3 305.426 0.659 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000902503881 663416574 /nfs/dbraw/zinc/41/65/74/663416574.db2.gz YKULBTZTHLVUEJ-ADDQRFFPSA-N 1 3 303.410 0.866 20 0 DCADHO CN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000903291003 663452476 /nfs/dbraw/zinc/45/24/76/663452476.db2.gz LOGHMDDQTRLWIT-SOUVJXGZSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@H](C(=O)N1CCCC1)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445937 663455369 /nfs/dbraw/zinc/45/53/69/663455369.db2.gz OIISJAQOTWRQEV-OAGGEKHMSA-N 1 3 308.470 0.742 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000903443653 663455428 /nfs/dbraw/zinc/45/54/28/663455428.db2.gz GTIQTBMQAAKGOY-WBVHZDCISA-N 1 3 322.497 0.718 20 0 DCADHO Cc1cc(N2CC[C@@H](N3C[C@@H](C)[C@H](CC[NH3+])C3)C2=O)n(C)n1 ZINC000903500087 663457333 /nfs/dbraw/zinc/45/73/33/663457333.db2.gz SDEVBXJBFXUILC-MRVWCRGKSA-N 1 3 305.426 0.751 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000903564113 663464666 /nfs/dbraw/zinc/46/46/66/663464666.db2.gz PUZXTFFXZJDNJB-VHDGCEQUSA-N 1 3 309.435 0.919 20 0 DCADHO O=C1CCCN1[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903729384 663476094 /nfs/dbraw/zinc/47/60/94/663476094.db2.gz LZMYLNHWEWLZEM-HLLBOEOZSA-N 1 3 307.438 0.842 20 0 DCADHO CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@@H]1[NH3+] ZINC000903737735 663478221 /nfs/dbraw/zinc/47/82/21/663478221.db2.gz DMLHKEBLVUDALF-KBPBESRZSA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000903763164 663480475 /nfs/dbraw/zinc/48/04/75/663480475.db2.gz OQLAVBQAKFHKFX-STQMWFEESA-N 1 3 310.442 0.123 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN2CCN(CC3CC3)CC2)cnn1C ZINC000903885307 663492913 /nfs/dbraw/zinc/49/29/13/663492913.db2.gz KWAJUKHYEUGUSE-INIZCTEOSA-N 1 3 305.470 0.874 20 0 DCADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(CCC(N)=O)CC2)cnn1C ZINC000903895591 663493780 /nfs/dbraw/zinc/49/37/80/663493780.db2.gz OPZBIHFCCYZPNY-HNNXBMFYSA-N 1 3 321.469 0.823 20 0 DCADHO C[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[C@@H]1C[NH3+] ZINC000904409928 663512672 /nfs/dbraw/zinc/51/26/72/663512672.db2.gz BEUWFDDFXQMGBV-GOEBONIOSA-N 1 3 318.469 0.645 20 0 DCADHO C[C@H]1C[C@H](N(C)S(=O)(=O)CC2CC[NH2+]CC2)CCN1C ZINC000905337557 663550102 /nfs/dbraw/zinc/55/01/02/663550102.db2.gz HAGVYEFWPFSYED-GXTWGEPZSA-N 1 3 303.472 0.730 20 0 DCADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)CC2CC[NH2+]CC2)CCN1C ZINC000905337560 663550133 /nfs/dbraw/zinc/55/01/33/663550133.db2.gz HAGVYEFWPFSYED-TZMCWYRMSA-N 1 3 303.472 0.730 20 0 DCADHO COCC[NH+](CCOC)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000908163183 663736338 /nfs/dbraw/zinc/73/63/38/663736338.db2.gz ZNWRGFCFFIKBMF-UHFFFAOYSA-N 1 3 324.425 0.538 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000908200521 663742453 /nfs/dbraw/zinc/74/24/53/663742453.db2.gz ITQRZCDCUCIGTL-ARFHVFGLSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000908200521 663742454 /nfs/dbraw/zinc/74/24/54/663742454.db2.gz ITQRZCDCUCIGTL-ARFHVFGLSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000909915676 663816475 /nfs/dbraw/zinc/81/64/75/663816475.db2.gz ZSQPCQYKVPUAQV-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1nccc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000909915676 663816478 /nfs/dbraw/zinc/81/64/78/663816478.db2.gz ZSQPCQYKVPUAQV-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911054892 663973147 /nfs/dbraw/zinc/97/31/47/663973147.db2.gz MOMCZFDKWWDTFU-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911054196 663973171 /nfs/dbraw/zinc/97/31/71/663973171.db2.gz GRPQOABNMJHNNQ-RDBSUJKOSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911029316 663973908 /nfs/dbraw/zinc/97/39/08/663973908.db2.gz MHQYIBDXTSZYKV-XPABHHOTSA-N 1 3 322.453 0.232 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911209811 664005588 /nfs/dbraw/zinc/00/55/88/664005588.db2.gz NATKHDJIMSHYIX-JJRVBVJISA-N 1 3 322.453 0.317 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000911311942 664030834 /nfs/dbraw/zinc/03/08/34/664030834.db2.gz GLOJBDQOCNRUSM-UHFFFAOYSA-N 1 3 312.458 0.470 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000911336514 664030906 /nfs/dbraw/zinc/03/09/06/664030906.db2.gz JXPLFYAJCGLPSX-WMLDXEAASA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CCC[C@@H](C)C1 ZINC000911519043 664073945 /nfs/dbraw/zinc/07/39/45/664073945.db2.gz FACXYXPTZLTIIN-MCIONIFRSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000911583115 664086609 /nfs/dbraw/zinc/08/66/09/664086609.db2.gz CVRPILZRAZIDPK-OKILXGFUSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2)C1CC[NH2+]CC1 ZINC000911692130 664101021 /nfs/dbraw/zinc/10/10/21/664101021.db2.gz MAVXOJHQRLMLSZ-AWEZNQCLSA-N 1 3 316.405 0.723 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NCC[C@H]3CC[NH2+]C3)ccc2NC1=O ZINC000911768475 664106831 /nfs/dbraw/zinc/10/68/31/664106831.db2.gz PQQZGHMAVWEJHJ-BXUZGUMPSA-N 1 3 316.405 0.628 20 0 DCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccnn1CC[NH+](C)C ZINC000913815859 664724621 /nfs/dbraw/zinc/72/46/21/664724621.db2.gz SUGPMXKOQCKVDY-KGLIPLIRSA-N 1 3 305.426 0.753 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000913830569 664725559 /nfs/dbraw/zinc/72/55/59/664725559.db2.gz JCJDOXWOUUERCJ-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000914315440 664770958 /nfs/dbraw/zinc/77/09/58/664770958.db2.gz SFXMNIGKENESBM-UKRRQHHQSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000914315440 664770959 /nfs/dbraw/zinc/77/09/59/664770959.db2.gz SFXMNIGKENESBM-UKRRQHHQSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000914315439 664771086 /nfs/dbraw/zinc/77/10/86/664771086.db2.gz SFXMNIGKENESBM-HIFRSBDPSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000914315439 664771087 /nfs/dbraw/zinc/77/10/87/664771087.db2.gz SFXMNIGKENESBM-HIFRSBDPSA-N 1 3 310.442 0.633 20 0 DCADHO C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001015393384 664777658 /nfs/dbraw/zinc/77/76/58/664777658.db2.gz TVLLERRJPILRJA-INIZCTEOSA-N 1 3 319.449 0.977 20 0 DCADHO O=C1CCCN1C[C@H]1CCCC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000732412954 664924253 /nfs/dbraw/zinc/92/42/53/664924253.db2.gz NNNKMPLDGFJFPU-HZPDHXFCSA-N 1 3 309.454 0.920 20 0 DCADHO O=C1CCCN1C[C@H]1CCCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000732412954 664924254 /nfs/dbraw/zinc/92/42/54/664924254.db2.gz NNNKMPLDGFJFPU-HZPDHXFCSA-N 1 3 309.454 0.920 20 0 DCADHO C[C@H]1COC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500696 664926523 /nfs/dbraw/zinc/92/65/23/664926523.db2.gz PMURCZQNEMBSAH-XJKSGUPXSA-N 1 3 324.469 0.879 20 0 DCADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000917570293 665137333 /nfs/dbraw/zinc/13/73/33/665137333.db2.gz GVDLINNYVZXFHA-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000917570293 665137335 /nfs/dbraw/zinc/13/73/35/665137335.db2.gz GVDLINNYVZXFHA-HOCLYGCPSA-N 1 3 324.469 0.881 20 0 DCADHO CCN1CCN(CCNC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920309679 665266419 /nfs/dbraw/zinc/26/64/19/665266419.db2.gz KGKVMODNHULECH-UHFFFAOYSA-N 1 3 313.515 0.182 20 0 DCADHO CO[C@H](C)CN1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031677264 665283365 /nfs/dbraw/zinc/28/33/65/665283365.db2.gz DJNAOEJAUQXZTH-CYBMUJFWSA-N 1 3 323.441 0.141 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1)C1CC1 ZINC000997830731 665352038 /nfs/dbraw/zinc/35/20/38/665352038.db2.gz NOIAWNJVCGKVME-CABCVRRESA-N 1 3 322.453 0.043 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998120084 665402902 /nfs/dbraw/zinc/40/29/02/665402902.db2.gz PCRBBFMSUMWZHR-CQSZACIVSA-N 1 3 306.410 0.817 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001016248597 666012803 /nfs/dbraw/zinc/01/28/03/666012803.db2.gz BSLXAEAQWJBYFY-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CCCN3CCCC3=O)C2)C1 ZINC001016248597 666012806 /nfs/dbraw/zinc/01/28/06/666012806.db2.gz BSLXAEAQWJBYFY-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001001252003 666023543 /nfs/dbraw/zinc/02/35/43/666023543.db2.gz JDZMXPUTIRXUJT-HZPDHXFCSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001001252003 666023545 /nfs/dbraw/zinc/02/35/45/666023545.db2.gz JDZMXPUTIRXUJT-HZPDHXFCSA-N 1 3 307.438 0.744 20 0 DCADHO C[C@@H]1CC[C@@H](CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001032130203 666366250 /nfs/dbraw/zinc/36/62/50/666366250.db2.gz HKMOCZWBDBVSAU-HIFRSBDPSA-N 1 3 307.438 0.698 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H](O)C3CCCCC3)C2)C1 ZINC001032186782 666392790 /nfs/dbraw/zinc/39/27/90/666392790.db2.gz WSFVEXPFZZJUDV-SJORKVTESA-N 1 3 323.481 0.927 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H](O)C3CCCCC3)C2)C1 ZINC001032186782 666392793 /nfs/dbraw/zinc/39/27/93/666392793.db2.gz WSFVEXPFZZJUDV-SJORKVTESA-N 1 3 323.481 0.927 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CCN(CCCO)C2)C1 ZINC001033141367 666559625 /nfs/dbraw/zinc/55/96/25/666559625.db2.gz FCOOEWSIOJUDED-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CCN(CCCO)C2)C1 ZINC001033141367 666559627 /nfs/dbraw/zinc/55/96/27/666559627.db2.gz FCOOEWSIOJUDED-CVEARBPZSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946779229 666651201 /nfs/dbraw/zinc/65/12/01/666651201.db2.gz KKVUQNDRPZOUSF-HRCADAONSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946779229 666651202 /nfs/dbraw/zinc/65/12/02/666651202.db2.gz KKVUQNDRPZOUSF-HRCADAONSA-N 1 3 309.454 0.633 20 0 DCADHO CN(CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)C(C)(C)C1)C1CCC1 ZINC000995914165 666721621 /nfs/dbraw/zinc/72/16/21/666721621.db2.gz CXHKDEBAXIHXIT-ZIAGYGMSSA-N 1 3 322.453 0.186 20 0 DCADHO CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1NCC(N)=O ZINC000995966018 666723913 /nfs/dbraw/zinc/72/39/13/666723913.db2.gz JOQSBWBWHAINSA-CYBMUJFWSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000996996899 667067460 /nfs/dbraw/zinc/06/74/60/667067460.db2.gz BIAJSXCPMBIVOX-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997004461 667068481 /nfs/dbraw/zinc/06/84/81/667068481.db2.gz CYLYPMUCDRGTBQ-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000997008597 667071962 /nfs/dbraw/zinc/07/19/62/667071962.db2.gz CLJBEECGZNWKRR-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034643068 667089112 /nfs/dbraw/zinc/08/91/12/667089112.db2.gz OJWNBOCPNCXUIN-IHRRRGAJSA-N 1 3 310.442 0.362 20 0 DCADHO O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001034654037 667091327 /nfs/dbraw/zinc/09/13/27/667091327.db2.gz WMCOKHWFTMHIGG-TUVASFSCSA-N 1 3 313.417 0.836 20 0 DCADHO CC1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC000997115782 667144309 /nfs/dbraw/zinc/14/43/09/667144309.db2.gz QZCXLKYFDDPLDU-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034959306 667199009 /nfs/dbraw/zinc/19/90/09/667199009.db2.gz WTGLTEXJVNKKJZ-UKRRQHHQSA-N 1 3 320.441 0.236 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001034964176 667204513 /nfs/dbraw/zinc/20/45/13/667204513.db2.gz AOFYOZMGMYLHBZ-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCN(C)C1=O)N(C)C ZINC001035052076 667230656 /nfs/dbraw/zinc/23/06/56/667230656.db2.gz FAGKYUPMQBRKSW-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300730 667233392 /nfs/dbraw/zinc/23/33/92/667233392.db2.gz WRRMDYPEEOTMQN-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300730 667233395 /nfs/dbraw/zinc/23/33/95/667233395.db2.gz WRRMDYPEEOTMQN-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000997303320 667243890 /nfs/dbraw/zinc/24/38/90/667243890.db2.gz TZIUCCNSHKMNOE-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001035131385 667253729 /nfs/dbraw/zinc/25/37/29/667253729.db2.gz IWXSQBLWTQYKKX-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000997366419 667260475 /nfs/dbraw/zinc/26/04/75/667260475.db2.gz DQEYNJGCRIHNCP-OCCSQVGLSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1)C(N)=O ZINC000997366774 667260881 /nfs/dbraw/zinc/26/08/81/667260881.db2.gz KLPQPZWMHUERPY-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000997606930 667347863 /nfs/dbraw/zinc/34/78/63/667347863.db2.gz NIHIBTUTMLXNHW-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)(C(=O)N1CCC2(CN(CCO)C2)CC1)[NH+]1CCCC1 ZINC001035766981 667407700 /nfs/dbraw/zinc/40/77/00/667407700.db2.gz MYAKOBMTDLUSAX-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867564830 667468750 /nfs/dbraw/zinc/46/87/50/667468750.db2.gz NMWHYAFZTRRIQV-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867564830 667468753 /nfs/dbraw/zinc/46/87/53/667468753.db2.gz NMWHYAFZTRRIQV-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO NCC(C[NH3+])NC[C@H](O)COc1c(Cl)cccc1Cl ZINC000923357340 667512844 /nfs/dbraw/zinc/51/28/44/667512844.db2.gz XROQZTBJVSKILF-VIFPVBQESA-N 1 3 308.209 0.609 20 0 DCADHO Cc1cc(C)cc(OC[C@H](O)CN2CCC(O)(C[NH3+])CC2)c1 ZINC000923382817 667521739 /nfs/dbraw/zinc/52/17/39/667521739.db2.gz WFQVLOCDLVAFIO-OAHLLOKOSA-N 1 3 308.422 0.829 20 0 DCADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)[C@H](CN)OC)cc1 ZINC000884404487 667538867 /nfs/dbraw/zinc/53/88/67/667538867.db2.gz NPADCZKAFWVSBE-KFWWJZLASA-N 1 3 307.394 0.231 20 0 DCADHO N[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[C@H]1F ZINC000884418680 667541351 /nfs/dbraw/zinc/54/13/51/667541351.db2.gz RNAPUAQNOOTHAZ-CHWSQXEVSA-N 1 3 307.373 0.003 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884617622 667576339 /nfs/dbraw/zinc/57/63/39/667576339.db2.gz OYXXQEAAFPHGJV-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884617383 667576470 /nfs/dbraw/zinc/57/64/70/667576470.db2.gz LNGQVMGIPCLWIT-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884716587 667597854 /nfs/dbraw/zinc/59/78/54/667597854.db2.gz CKHISZIDRXXRCR-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCC(=O)N1CCCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000838904188 667716508 /nfs/dbraw/zinc/71/65/08/667716508.db2.gz HVLXAUVWWBIZMQ-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CN(CCC(=O)N1CCCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000838904188 667716510 /nfs/dbraw/zinc/71/65/10/667716510.db2.gz HVLXAUVWWBIZMQ-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1noc(C)n1 ZINC000123256266 667751971 /nfs/dbraw/zinc/75/19/71/667751971.db2.gz AQDZTGHNCIGVEW-ZDUSSCGKSA-N 1 3 309.414 0.866 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870903053 667771650 /nfs/dbraw/zinc/77/16/50/667771650.db2.gz QXMHKPOJXYKHQJ-AIANPOQGSA-N 1 3 308.470 0.504 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870902494 667771750 /nfs/dbraw/zinc/77/17/50/667771750.db2.gz INRRUFFEJSRWDN-OAGGEKHMSA-N 1 3 310.486 0.894 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@@H](C)[NH3+] ZINC000870982366 667781243 /nfs/dbraw/zinc/78/12/43/667781243.db2.gz ZGBPSVMKDGHGJR-GDBMZVCRSA-N 1 3 310.486 0.844 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874862 667811990 /nfs/dbraw/zinc/81/19/90/667811990.db2.gz YQASENFHVOYEEQ-INIZCTEOSA-N 1 3 311.426 0.474 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC000889755088 667990608 /nfs/dbraw/zinc/99/06/08/667990608.db2.gz DHOSZMOIPOGXQL-JONQDZQNSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC000889755088 667990610 /nfs/dbraw/zinc/99/06/10/667990610.db2.gz DHOSZMOIPOGXQL-JONQDZQNSA-N 1 3 309.454 0.774 20 0 DCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000874826813 668223396 /nfs/dbraw/zinc/22/33/96/668223396.db2.gz PWWOLPQMEPAOKY-GJZGRUSLSA-N 1 3 305.426 0.753 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000874826814 668223425 /nfs/dbraw/zinc/22/34/25/668223425.db2.gz PWWOLPQMEPAOKY-HUUCEWRRSA-N 1 3 305.426 0.753 20 0 DCADHO CN1CCN(C(=O)CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925493026 668324732 /nfs/dbraw/zinc/32/47/32/668324732.db2.gz VGHSLKULDCOVEP-DLBZAZTESA-N 1 3 322.497 0.908 20 0 DCADHO C[C@H](C[NH2+][C@H]1CNCCOC1)N1CCN(c2ccccc2)CC1 ZINC000925545782 668328307 /nfs/dbraw/zinc/32/83/07/668328307.db2.gz KQDIOCPNSOKCLZ-SJORKVTESA-N 1 3 318.465 0.775 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CNCCOC1)N1CCN(c2ccccc2)CC1 ZINC000925545779 668328646 /nfs/dbraw/zinc/32/86/46/668328646.db2.gz KQDIOCPNSOKCLZ-DLBZAZTESA-N 1 3 318.465 0.775 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@H](c2ccccc2)[C@H](C)N)CC1 ZINC000925537187 668328802 /nfs/dbraw/zinc/32/88/02/668328802.db2.gz KHKNHLITRQGQDV-GUYCJALGSA-N 1 3 304.438 0.875 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCOC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000764468380 668448929 /nfs/dbraw/zinc/44/89/29/668448929.db2.gz HBRKWLYPQAQJSX-HUUCEWRRSA-N 1 3 310.442 0.396 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCOC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000764468380 668448930 /nfs/dbraw/zinc/44/89/30/668448930.db2.gz HBRKWLYPQAQJSX-HUUCEWRRSA-N 1 3 310.442 0.396 20 0 DCADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000927648966 668492326 /nfs/dbraw/zinc/49/23/26/668492326.db2.gz UKOKGKOWCQKTHU-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@H](C)C1 ZINC000876763247 668505439 /nfs/dbraw/zinc/50/54/39/668505439.db2.gz DRSYKYRVJQGTIN-QLFBSQMISA-N 1 3 314.474 0.129 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@H](C)C1 ZINC000876763247 668505443 /nfs/dbraw/zinc/50/54/43/668505443.db2.gz DRSYKYRVJQGTIN-QLFBSQMISA-N 1 3 314.474 0.129 20 0 DCADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000877081955 668559368 /nfs/dbraw/zinc/55/93/68/668559368.db2.gz UUSJPAVQECGETK-MRXNPFEDSA-N 1 3 313.417 0.791 20 0 DCADHO [NH3+][C@@H](CCNC(=O)c1[nH]nc2c1CNCC2)Cc1ccccc1 ZINC000877158880 668569704 /nfs/dbraw/zinc/56/97/04/668569704.db2.gz NLGILWYFVRCYMJ-ZDUSSCGKSA-N 1 3 313.405 0.745 20 0 DCADHO C[NH2+]CCCC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877208284 668576571 /nfs/dbraw/zinc/57/65/71/668576571.db2.gz XEVUXEWSBHUTJO-UHFFFAOYSA-N 1 3 302.382 0.342 20 0 DCADHO CN1CCN(C2CCN(C(=O)/C=C/[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000877249635 668583527 /nfs/dbraw/zinc/58/35/27/668583527.db2.gz BFNUHBSFBIKWJW-DWTRPJMMSA-N 1 3 320.481 0.781 20 0 DCADHO COCC1(C(=O)NC[C@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000877343599 668605635 /nfs/dbraw/zinc/60/56/35/668605635.db2.gz OBUPNXBJPUOXPQ-MRXNPFEDSA-N 1 3 317.433 0.833 20 0 DCADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCC1 ZINC000782570926 669106078 /nfs/dbraw/zinc/10/60/78/669106078.db2.gz XBGYFQIGDJUBES-ZIAGYGMSSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H](CN1CCOCC1)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931287495 669174781 /nfs/dbraw/zinc/17/47/81/669174781.db2.gz YUPSQMWADSWQMG-INIZCTEOSA-N 1 3 311.470 0.894 20 0 DCADHO Cn1cc(N2CCC[C@H](N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C2=O)cn1 ZINC000931435039 669203041 /nfs/dbraw/zinc/20/30/41/669203041.db2.gz FASZWCTZSLRIRY-YCPHGPKFSA-N 1 3 317.437 0.799 20 0 DCADHO Cn1cc(N2CCC[C@H](N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C2=O)cn1 ZINC000931435039 669203042 /nfs/dbraw/zinc/20/30/42/669203042.db2.gz FASZWCTZSLRIRY-YCPHGPKFSA-N 1 3 317.437 0.799 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000883645782 669723629 /nfs/dbraw/zinc/72/36/29/669723629.db2.gz WJGAMXRUADEESS-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC1(C)CNCCN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884037955 669820118 /nfs/dbraw/zinc/82/01/18/669820118.db2.gz SDXFTRZYLSUJOP-UHFFFAOYSA-N 1 3 303.410 0.315 20 0 DCADHO CON(C)C(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000799149668 670045180 /nfs/dbraw/zinc/04/51/80/670045180.db2.gz YMHWEDUZEYZREW-LSDHHAIUSA-N 1 3 312.458 0.354 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)N1CCCCC1 ZINC000807027603 670342094 /nfs/dbraw/zinc/34/20/94/670342094.db2.gz HZXXOOAICBCATK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952151481 670449028 /nfs/dbraw/zinc/44/90/28/670449028.db2.gz LSQORWDQXFYRLV-STQMWFEESA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952151481 670449032 /nfs/dbraw/zinc/44/90/32/670449032.db2.gz LSQORWDQXFYRLV-STQMWFEESA-N 1 3 319.409 0.011 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650168 670709128 /nfs/dbraw/zinc/70/91/28/670709128.db2.gz KXAFSQOQFZTNGJ-MELADBBJSA-N 1 3 312.483 0.096 20 0 DCADHO CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650168 670709131 /nfs/dbraw/zinc/70/91/31/670709131.db2.gz KXAFSQOQFZTNGJ-MELADBBJSA-N 1 3 312.483 0.096 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849577823 670822083 /nfs/dbraw/zinc/82/20/83/670822083.db2.gz SWGUGSMBAZTQAA-CVEARBPZSA-N 1 3 321.469 0.866 20 0 DCADHO O=C(CO[C@H]1CCC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000852915776 671194487 /nfs/dbraw/zinc/19/44/87/671194487.db2.gz LPFMJRBZTZTQHX-GJZGRUSLSA-N 1 3 311.426 0.125 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@H+](CC)C1 ZINC000853683434 671258915 /nfs/dbraw/zinc/25/89/15/671258915.db2.gz SNEWGYAJCQDVHX-ARFHVFGLSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](CC)C1 ZINC000853683434 671258918 /nfs/dbraw/zinc/25/89/18/671258918.db2.gz SNEWGYAJCQDVHX-ARFHVFGLSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCCC[NH3+] ZINC000828247663 671548221 /nfs/dbraw/zinc/54/82/21/671548221.db2.gz XISUSJQFKXEXMI-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO C[C@H](CNC(=O)c1cccc(C[NH3+])c1)CN1CCN(C)CC1 ZINC000830669839 671636780 /nfs/dbraw/zinc/63/67/80/671636780.db2.gz CIZNDFOGDOKLAM-CQSZACIVSA-N 1 3 304.438 0.759 20 0 DCADHO CCCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000841788267 671955630 /nfs/dbraw/zinc/95/56/30/671955630.db2.gz FWEUOARBSGRWCA-RRFJBIMHSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842014282 671973816 /nfs/dbraw/zinc/97/38/16/671973816.db2.gz BPRIWUHSKXTLHA-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000842015858 671974678 /nfs/dbraw/zinc/97/46/78/671974678.db2.gz PBHQPDGVHGJXEM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842016726 671975374 /nfs/dbraw/zinc/97/53/74/671975374.db2.gz XHBIRTPMIDVCGB-KKUMJFAQSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867324245 672079115 /nfs/dbraw/zinc/07/91/15/672079115.db2.gz VZGDMCBGOQWRGN-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc2c1CC[NH2+]C2 ZINC000391428121 685262413 /nfs/dbraw/zinc/26/24/13/685262413.db2.gz AMFJLTKMVPUTMX-CABCVRRESA-N 1 3 315.417 0.925 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892570136 685429518 /nfs/dbraw/zinc/42/95/18/685429518.db2.gz KXPSXSQBGKRMPW-IHRRRGAJSA-N 1 3 310.442 0.618 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892572848 685430486 /nfs/dbraw/zinc/43/04/86/685430486.db2.gz TYMUEAXEKLHBEU-HDJSIYSDSA-N 1 3 311.474 0.439 20 0 DCADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CCO ZINC001037935929 693970266 /nfs/dbraw/zinc/97/02/66/693970266.db2.gz SXXHWYQXZJRJNI-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CCO ZINC001037950035 693973590 /nfs/dbraw/zinc/97/35/90/693973590.db2.gz NRIJWLZLHSKYMF-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037953820 693974156 /nfs/dbraw/zinc/97/41/56/693974156.db2.gz YTXVPOWINQYDCE-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954318408 685991410 /nfs/dbraw/zinc/99/14/10/685991410.db2.gz SQYCZGHNILHYOZ-ZFWWWQNUSA-N 1 3 324.469 0.194 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954318408 685991413 /nfs/dbraw/zinc/99/14/13/685991413.db2.gz SQYCZGHNILHYOZ-ZFWWWQNUSA-N 1 3 324.469 0.194 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954834793 686154015 /nfs/dbraw/zinc/15/40/15/686154015.db2.gz HZDGAZDXIAJCLG-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954834793 686154019 /nfs/dbraw/zinc/15/40/19/686154019.db2.gz HZDGAZDXIAJCLG-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC000955339483 686370506 /nfs/dbraw/zinc/37/05/06/686370506.db2.gz IVTQYEUGXWCCGQ-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC000955339483 686370512 /nfs/dbraw/zinc/37/05/12/686370512.db2.gz IVTQYEUGXWCCGQ-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539193 694110239 /nfs/dbraw/zinc/11/02/39/694110239.db2.gz ZUYZVIXXYBNJRF-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539193 694110243 /nfs/dbraw/zinc/11/02/43/694110243.db2.gz ZUYZVIXXYBNJRF-GWUWNPHMSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961285934 688588093 /nfs/dbraw/zinc/58/80/93/688588093.db2.gz VZEAHSPSZIKTLY-GTHOZQOVSA-N 1 3 317.433 0.306 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961285934 688588098 /nfs/dbraw/zinc/58/80/98/688588098.db2.gz VZEAHSPSZIKTLY-GTHOZQOVSA-N 1 3 317.433 0.306 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962701778 688968253 /nfs/dbraw/zinc/96/82/53/688968253.db2.gz IXQSHUDXRKECES-CXQJBGSLSA-N 1 3 309.439 0.474 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962701778 688968258 /nfs/dbraw/zinc/96/82/58/688968258.db2.gz IXQSHUDXRKECES-CXQJBGSLSA-N 1 3 309.439 0.474 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000967923691 690122670 /nfs/dbraw/zinc/12/26/70/690122670.db2.gz BBBZHOMPSFOOSE-OCCSQVGLSA-N 1 3 308.451 0.970 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967975801 690140397 /nfs/dbraw/zinc/14/03/97/690140397.db2.gz YXNRLSMDFCQKIX-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967975801 690140401 /nfs/dbraw/zinc/14/04/01/690140401.db2.gz YXNRLSMDFCQKIX-HIFRSBDPSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCO)C3)C1 ZINC000981808460 690518661 /nfs/dbraw/zinc/51/86/61/690518661.db2.gz NSGUHHUTPVFADK-INIZCTEOSA-N 1 3 323.481 0.881 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CCO)C3)C1 ZINC000981808460 690518664 /nfs/dbraw/zinc/51/86/64/690518664.db2.gz NSGUHHUTPVFADK-INIZCTEOSA-N 1 3 323.481 0.881 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)N(C)C ZINC001011322692 691509844 /nfs/dbraw/zinc/50/98/44/691509844.db2.gz OBAVMRAPUUVFTK-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1)N(C)C ZINC001011322692 691509848 /nfs/dbraw/zinc/50/98/48/691509848.db2.gz OBAVMRAPUUVFTK-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](O)CN1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016330854 692654061 /nfs/dbraw/zinc/65/40/61/692654061.db2.gz WAEUFQNALFMFCJ-ZFWWWQNUSA-N 1 3 305.422 0.933 20 0 DCADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)CC1 ZINC001019322950 693432632 /nfs/dbraw/zinc/43/26/32/693432632.db2.gz PYBWOWSBNJSWHA-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCc3ccnn3C)C2)C1 ZINC001019382632 693456420 /nfs/dbraw/zinc/45/64/20/693456420.db2.gz FKLCFBGYZFQUBL-CABCVRRESA-N 1 3 319.453 0.495 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001019397075 693461787 /nfs/dbraw/zinc/46/17/87/693461787.db2.gz HSXSVTYXYSKFFI-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001020178786 693724242 /nfs/dbraw/zinc/72/42/42/693724242.db2.gz FEKKFYLNWPLYPM-FPCVCCKLSA-N 1 3 307.438 0.887 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982939 694690979 /nfs/dbraw/zinc/69/09/79/694690979.db2.gz GOCZZMJWGFQVLR-CQSZACIVSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001072982939 694690981 /nfs/dbraw/zinc/69/09/81/694690981.db2.gz GOCZZMJWGFQVLR-CQSZACIVSA-N 1 3 309.454 0.633 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](CC[C@@H]1CCOC1)C2 ZINC001073016167 694694952 /nfs/dbraw/zinc/69/49/52/694694952.db2.gz LJNASVZGJCIUAB-CQSZACIVSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](CC[C@@H]1CCOC1)C2 ZINC001073016167 694694953 /nfs/dbraw/zinc/69/49/53/694694953.db2.gz LJNASVZGJCIUAB-CQSZACIVSA-N 1 3 318.421 0.913 20 0 DCADHO CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073709652 694770592 /nfs/dbraw/zinc/77/05/92/694770592.db2.gz CGVGBFZTYXKWSC-GWUWNPHMSA-N 1 3 323.437 0.077 20 0 DCADHO CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001073709652 694770594 /nfs/dbraw/zinc/77/05/94/694770594.db2.gz CGVGBFZTYXKWSC-GWUWNPHMSA-N 1 3 323.437 0.077 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)[C@@H]2C)C1 ZINC001074878205 694927964 /nfs/dbraw/zinc/92/79/64/694927964.db2.gz GKFUSRAVADWSFK-KKUMJFAQSA-N 1 3 320.441 0.199 20 0 DCADHO C[C@H]1[C@@H]([NH2+]C[C@H]2CCCOC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001074920507 694930560 /nfs/dbraw/zinc/93/05/60/694930560.db2.gz ITXRPYOOQUWNBQ-GUTXKFCHSA-N 1 3 306.410 0.958 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042286 694935892 /nfs/dbraw/zinc/93/58/92/694935892.db2.gz HHBFMTQLKOJESP-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075042286 694935893 /nfs/dbraw/zinc/93/58/93/694935893.db2.gz HHBFMTQLKOJESP-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001076597052 695031647 /nfs/dbraw/zinc/03/16/47/695031647.db2.gz XSCRCMZTTWDVKI-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001076597052 695031648 /nfs/dbraw/zinc/03/16/48/695031648.db2.gz XSCRCMZTTWDVKI-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)CC[N@@H+]1C ZINC001077028176 695128264 /nfs/dbraw/zinc/12/82/64/695128264.db2.gz YZWPVRSPBLZJRK-ZJIFWQFVSA-N 1 3 309.454 0.678 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)CC[N@H+]1C ZINC001077028176 695128267 /nfs/dbraw/zinc/12/82/67/695128267.db2.gz YZWPVRSPBLZJRK-ZJIFWQFVSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC(O)(C[NH2+]CCCF)CC2)C1 ZINC001570420697 1162510778 /nfs/dbraw/zinc/51/07/78/1162510778.db2.gz NDCJHIAKUGIHML-AWEZNQCLSA-N 1 3 315.433 0.631 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001691440667 1157729205 /nfs/dbraw/zinc/72/92/05/1157729205.db2.gz CYGXWLGZAXAFQM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001691440667 1157729211 /nfs/dbraw/zinc/72/92/11/1157729211.db2.gz CYGXWLGZAXAFQM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCOCCNCc1ccccn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001571678963 1162894056 /nfs/dbraw/zinc/89/40/56/1162894056.db2.gz HUFGDFJXFRFEPY-HNNXBMFYSA-N 1 3 320.437 0.598 20 0 DCADHO CN(CCOCCNCc1ccccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571678963 1162894066 /nfs/dbraw/zinc/89/40/66/1162894066.db2.gz HUFGDFJXFRFEPY-HNNXBMFYSA-N 1 3 320.437 0.598 20 0 DCADHO CN(C)c1cc(CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001691603023 1158352888 /nfs/dbraw/zinc/35/28/88/1158352888.db2.gz OUVOUPOLDBBXKG-HNNXBMFYSA-N 1 3 319.453 0.647 20 0 DCADHO CN(C)c1cc(CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001691603023 1158352895 /nfs/dbraw/zinc/35/28/95/1158352895.db2.gz OUVOUPOLDBBXKG-HNNXBMFYSA-N 1 3 319.453 0.647 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)Cc1ccccc1)C(=O)CN1CCCC1 ZINC001691602807 1158353336 /nfs/dbraw/zinc/35/33/36/1158353336.db2.gz GRAFRCCZUVSTDT-KRWDZBQOSA-N 1 3 319.449 0.734 20 0 DCADHO CN(C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CN2CCC1CC2 ZINC001649042195 1158618676 /nfs/dbraw/zinc/61/86/76/1158618676.db2.gz LOBBPGAVQWTHHW-ZBFHGGJFSA-N 1 3 306.410 0.438 20 0 DCADHO O=C([C@@H]1CSCN1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001649062442 1158628801 /nfs/dbraw/zinc/62/88/01/1158628801.db2.gz MSZHGQPCMOZZIU-MJBXVCDLSA-N 1 3 310.467 0.076 20 0 DCADHO COCC[C@H]1CNCCN1C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC001649129550 1158729941 /nfs/dbraw/zinc/72/99/41/1158729941.db2.gz CSQNLVAWLXAWRT-GOEBONIOSA-N 1 3 303.406 0.710 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001419392068 1159252048 /nfs/dbraw/zinc/25/20/48/1159252048.db2.gz QJWBENQQALSBBZ-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)n[nH]1 ZINC001445971911 1159327178 /nfs/dbraw/zinc/32/71/78/1159327178.db2.gz UEBXTIJIVCLMLE-ZWNOBZJWSA-N 1 3 308.430 0.610 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001446258833 1159374799 /nfs/dbraw/zinc/37/47/99/1159374799.db2.gz UCNPKWZHEWZLPQ-CYBMUJFWSA-N 1 3 320.441 0.346 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001446457024 1159422332 /nfs/dbraw/zinc/42/23/32/1159422332.db2.gz ATFZQVYOOVXKQE-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCOCC1 ZINC001446707876 1159508326 /nfs/dbraw/zinc/50/83/26/1159508326.db2.gz ASZSICJYQIXEQU-ZDUSSCGKSA-N 1 3 313.442 0.107 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001566770869 1160148394 /nfs/dbraw/zinc/14/83/94/1160148394.db2.gz RICWPJSGPPPZKU-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC[NH2+]CC(=O)N(C)CC1CC1)C(=O)[C@@H]1CCCCN1C ZINC001567517322 1160404784 /nfs/dbraw/zinc/40/47/84/1160404784.db2.gz GDYZPCCAQBNXQZ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001568906834 1160856238 /nfs/dbraw/zinc/85/62/38/1160856238.db2.gz YIQNEOSVKQLHGF-OJTLBJGBSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001568906834 1160856249 /nfs/dbraw/zinc/85/62/49/1160856249.db2.gz YIQNEOSVKQLHGF-OJTLBJGBSA-N 1 3 322.453 0.257 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC/C=C\C[NH2+]CCCO)C1 ZINC001568919722 1160866529 /nfs/dbraw/zinc/86/65/29/1160866529.db2.gz HNGUZOGVVATMFG-YIEVGGLXSA-N 1 3 315.433 0.843 20 0 DCADHO CCn1cc(CC[NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001569188873 1160970108 /nfs/dbraw/zinc/97/01/08/1160970108.db2.gz NXZVRXKAVKDPRE-INIZCTEOSA-N 1 3 321.469 0.978 20 0 DCADHO CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCCCN1C ZINC001569214589 1160982417 /nfs/dbraw/zinc/98/24/17/1160982417.db2.gz LEVGKTFOUFUMNZ-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCn1cncn1 ZINC001569269998 1160999303 /nfs/dbraw/zinc/99/93/03/1160999303.db2.gz GVCXRMKFFQPCFR-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CCO1 ZINC001570152984 1161452152 /nfs/dbraw/zinc/45/21/52/1161452152.db2.gz BLABGVFFUPENCQ-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001570363439 1161581498 /nfs/dbraw/zinc/58/14/98/1161581498.db2.gz BLFPPBKMNOWAPN-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CCCNCc1cn[nH]n1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575532363 1164049881 /nfs/dbraw/zinc/04/98/81/1164049881.db2.gz YPEZTHNAOBEWEH-SWLSCSKDSA-N 1 3 320.441 0.521 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001575873527 1164176581 /nfs/dbraw/zinc/17/65/81/1164176581.db2.gz XXYQJCGBVQREJY-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001575873527 1164176584 /nfs/dbraw/zinc/17/65/84/1164176584.db2.gz XXYQJCGBVQREJY-MCIONIFRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC001576033756 1164217877 /nfs/dbraw/zinc/21/78/77/1164217877.db2.gz VRKYMWIQGIBTCU-OLZOCXBDSA-N 1 3 313.442 0.751 20 0 DCADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001576311867 1164299162 /nfs/dbraw/zinc/29/91/62/1164299162.db2.gz UGJRSKFBRSWZGP-VYDXJSESSA-N 1 3 319.449 0.938 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccccc1C[NH3+] ZINC001576573185 1164398491 /nfs/dbraw/zinc/39/84/91/1164398491.db2.gz NUDOZIIVESXFOE-GFCCVEGCSA-N 1 3 304.394 0.337 20 0 DCADHO CN(C)Cc1ccsc1C(=O)NCC[NH2+]CCc1c[nH]nn1 ZINC001576750549 1164450275 /nfs/dbraw/zinc/45/02/75/1164450275.db2.gz RNXYQSCKVPZSNI-UHFFFAOYSA-N 1 3 322.438 0.490 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCc1cn[nH]n1 ZINC001576817982 1164479636 /nfs/dbraw/zinc/47/96/36/1164479636.db2.gz NSOZUQHIVVMJQX-GJZGRUSLSA-N 1 3 320.441 0.412 20 0 DCADHO CN(CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCc1cn[nH]n1 ZINC001576817982 1164479641 /nfs/dbraw/zinc/47/96/41/1164479641.db2.gz NSOZUQHIVVMJQX-GJZGRUSLSA-N 1 3 320.441 0.412 20 0 DCADHO C[C@@H]1NC(=O)N(CCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1=O ZINC001576878472 1164513729 /nfs/dbraw/zinc/51/37/29/1164513729.db2.gz HTMGRSMBZPBGTH-FPMFFAJLSA-N 1 3 324.425 0.145 20 0 DCADHO CC[C@@H]1CN(c2nnc(C)n2CCN(C)CCOC)CC[C@H]1[NH3+] ZINC001577293135 1164661635 /nfs/dbraw/zinc/66/16/35/1164661635.db2.gz YLUMZDISFHBYBK-HUUCEWRRSA-N 1 3 324.473 0.728 20 0 DCADHO CN1C[C@H](NC(=O)C2([C@@]3(O)CCC[NH2+]C3)CCC2)C(C)(C)C1 ZINC001578520616 1165040804 /nfs/dbraw/zinc/04/08/04/1165040804.db2.gz DRCOYEISVFWQQS-SUMWQHHRSA-N 1 3 309.454 0.728 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@H]2C[NH2+]CC23CC3)CC1 ZINC001578533743 1165050028 /nfs/dbraw/zinc/05/00/28/1165050028.db2.gz WPRUZTBSYNGBJA-CQSZACIVSA-N 1 3 309.458 0.065 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC001578640607 1165073046 /nfs/dbraw/zinc/07/30/46/1165073046.db2.gz IUGPHPJTPXQUND-DOTOQJQBSA-N 1 3 321.465 0.836 20 0 DCADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC001578644371 1165076417 /nfs/dbraw/zinc/07/64/17/1165076417.db2.gz HWAVAARWLXZQGI-BXUZGUMPSA-N 1 3 309.410 0.912 20 0 DCADHO C[NH2+]CCOCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001578709494 1165088930 /nfs/dbraw/zinc/08/89/30/1165088930.db2.gz HOWIZHNDNYYUGF-UHFFFAOYSA-N 1 3 321.830 0.313 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@H]1CN(C3CC3)C(=O)O1)CC2 ZINC001580257115 1165549724 /nfs/dbraw/zinc/54/97/24/1165549724.db2.gz AHXLYHIMNRUFRG-KBPBESRZSA-N 1 3 309.410 0.799 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN(C[C@H]1CCCS(=O)(=O)C1)CC2 ZINC001580257661 1165550439 /nfs/dbraw/zinc/55/04/39/1165550439.db2.gz VSVOGQHCURMFHL-KGLIPLIRSA-N 1 3 316.467 0.641 20 0 DCADHO [NH3+]CCn1cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)nn1 ZINC001580320185 1165570752 /nfs/dbraw/zinc/57/07/52/1165570752.db2.gz QYYHWBQAJUFOKT-ZDUSSCGKSA-N 1 3 306.414 0.374 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001580497510 1165623102 /nfs/dbraw/zinc/62/31/02/1165623102.db2.gz ATBJSXUPULXQIX-SJLPKXTDSA-N 1 3 317.433 0.882 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001580615886 1165658780 /nfs/dbraw/zinc/65/87/80/1165658780.db2.gz JJBODZALJCCXBM-ARFHVFGLSA-N 1 3 318.421 0.133 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@@H]1CCC[NH2+]CC1 ZINC001580653967 1165674969 /nfs/dbraw/zinc/67/49/69/1165674969.db2.gz HFWYBKUQUCLOAZ-QLFBSQMISA-N 1 3 310.442 0.539 20 0 DCADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(CCCF)CC1 ZINC001580811285 1165723481 /nfs/dbraw/zinc/72/34/81/1165723481.db2.gz OBWQMGNNCOBMMG-GFCCVEGCSA-N 1 3 309.389 0.604 20 0 DCADHO COC[C@](C)(O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001645599214 1172070226 /nfs/dbraw/zinc/07/02/26/1172070226.db2.gz VCXCCWMEPPRZLA-INIZCTEOSA-N 1 3 313.442 0.059 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CCC2OCCCO2)CC1 ZINC001645645771 1172087739 /nfs/dbraw/zinc/08/77/39/1172087739.db2.gz ZEMMUFHBYKTZKL-AWEZNQCLSA-N 1 3 311.426 0.554 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCC2OCCCO2)CC1 ZINC001645645771 1172087741 /nfs/dbraw/zinc/08/77/41/1172087741.db2.gz ZEMMUFHBYKTZKL-AWEZNQCLSA-N 1 3 311.426 0.554 20 0 DCADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001645915886 1172183059 /nfs/dbraw/zinc/18/30/59/1172183059.db2.gz PAPDCTBPYRFWHT-XGUBFFRZSA-N 1 3 310.442 0.320 20 0 DCADHO COCCN1CCC(NC(=O)C2([C@H](C)[NH3+])CCOCC2)CC1 ZINC001646738864 1172502446 /nfs/dbraw/zinc/50/24/46/1172502446.db2.gz ATWBOJPPOBPYOD-ZDUSSCGKSA-N 1 3 313.442 0.357 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001646740886 1172503016 /nfs/dbraw/zinc/50/30/16/1172503016.db2.gz POGKGZKVJANZCP-WOSRLPQWSA-N 1 3 313.442 0.894 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001646772808 1172522722 /nfs/dbraw/zinc/52/27/22/1172522722.db2.gz CQFFBNGOMXKCIQ-GFCCVEGCSA-N 1 3 309.435 0.580 20 0 DCADHO CN1CCN(Cc2cccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])c2)CC1 ZINC001647234057 1172753923 /nfs/dbraw/zinc/75/39/23/1172753923.db2.gz KNJDGWVYAMSXPK-CVEARBPZSA-N 1 3 302.422 0.397 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC[C@@H](O)CC[C@H](O)c1ccccc1 ZINC001647557811 1172971122 /nfs/dbraw/zinc/97/11/22/1172971122.db2.gz GEWXDHMMLJGDJK-YESZJQIVSA-N 1 3 310.438 0.763 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001649856904 1173263885 /nfs/dbraw/zinc/26/38/85/1173263885.db2.gz WNOWUAFMAPFQNI-NEPJUHHUSA-N 1 3 305.369 0.729 20 0 DCADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+]1C ZINC001649879127 1173278599 /nfs/dbraw/zinc/27/85/99/1173278599.db2.gz CCFCTXPKWCWCNG-JQWIXIFHSA-N 1 3 322.413 0.265 20 0 DCADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+]1C ZINC001649879127 1173278608 /nfs/dbraw/zinc/27/86/08/1173278608.db2.gz CCFCTXPKWCWCNG-JQWIXIFHSA-N 1 3 322.413 0.265 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001649996456 1173365446 /nfs/dbraw/zinc/36/54/46/1173365446.db2.gz RWEYZZPVNXLWDN-KGLIPLIRSA-N 1 3 311.474 0.534 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)NC[C@@H]1CCCCC[NH2+]1 ZINC001650185208 1173505080 /nfs/dbraw/zinc/50/50/80/1173505080.db2.gz LBVRDEBAUISFIA-LSDHHAIUSA-N 1 3 312.458 0.665 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CC(O)C1 ZINC001650348123 1173584588 /nfs/dbraw/zinc/58/45/88/1173584588.db2.gz KOOJYZQAZFTMBX-VADGTKANSA-N 1 3 317.433 0.723 20 0 DCADHO NCc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)o1 ZINC001650388488 1173610918 /nfs/dbraw/zinc/61/09/18/1173610918.db2.gz BEMRWZBPHQIYEN-OKILXGFUSA-N 1 3 318.421 0.779 20 0 DCADHO C[C@H](C(=O)N1NC(=O)CC12CC[NH2+]CC2)[C@@H](N)c1ccccc1 ZINC001650396160 1173617032 /nfs/dbraw/zinc/61/70/32/1173617032.db2.gz METUUCOHWOPMOZ-SWLSCSKDSA-N 1 3 316.405 0.708 20 0 DCADHO CCN1CCN(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001650591284 1173710938 /nfs/dbraw/zinc/71/09/38/1173710938.db2.gz BHDFRVTXAYYZHD-UHFFFAOYSA-N 1 3 306.454 0.463 20 0 DCADHO C[C@H](C(N)=O)N(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001660723286 1174042716 /nfs/dbraw/zinc/04/27/16/1174042716.db2.gz UZLMAEFVSLCZMS-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C(N)=O)N(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001660723286 1174042723 /nfs/dbraw/zinc/04/27/23/1174042723.db2.gz UZLMAEFVSLCZMS-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCc1cncn1C ZINC001664391803 1174429758 /nfs/dbraw/zinc/42/97/58/1174429758.db2.gz RTUWAYAUGQRWCZ-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnnn1C ZINC001668318711 1174783175 /nfs/dbraw/zinc/78/31/75/1174783175.db2.gz BMVSGPCUGAMIOG-HIFRSBDPSA-N 1 3 322.457 0.674 20 0 DCADHO CCN(CC[NH2+]CCO[C@H]1CC1(F)F)C(=O)[C@H]1CCCN1C ZINC001668521824 1174805218 /nfs/dbraw/zinc/80/52/18/1174805218.db2.gz XPAVPAPOLDUUBW-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO CCN(CC)C(=O)CNCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001668619626 1174814219 /nfs/dbraw/zinc/81/42/19/1174814219.db2.gz ORUOKLKSGUCNTJ-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCNCC(=O)N[C@@H](C)C1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001668645035 1174816079 /nfs/dbraw/zinc/81/60/79/1174816079.db2.gz HYKJNCCWWMLMMD-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNCC(=O)N[C@@H](C)C1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001668645035 1174816081 /nfs/dbraw/zinc/81/60/81/1174816081.db2.gz HYKJNCCWWMLMMD-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)[NH+]1CCCCC1 ZINC001669208226 1174910043 /nfs/dbraw/zinc/91/00/43/1174910043.db2.gz RKBBLHFJSQPWSS-LUNKNMTDSA-N 1 3 324.469 0.633 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001676588874 1175464573 /nfs/dbraw/zinc/46/45/73/1175464573.db2.gz VBZMPMQVIOVECN-KBPBESRZSA-N 1 3 303.422 0.676 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001686661278 1176186030 /nfs/dbraw/zinc/18/60/30/1176186030.db2.gz VQYACTJCJDSFRS-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001686661278 1176186035 /nfs/dbraw/zinc/18/60/35/1176186035.db2.gz VQYACTJCJDSFRS-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001687996471 1176325544 /nfs/dbraw/zinc/32/55/44/1176325544.db2.gz NHVPVYXFHKWFFA-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000127809527 1177321828 /nfs/dbraw/zinc/32/18/28/1177321828.db2.gz SIHYSXDOPJZEAF-CABCVRRESA-N 1 3 315.458 0.161 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCn1cncn1 ZINC001698747236 1177628279 /nfs/dbraw/zinc/62/82/79/1177628279.db2.gz BMQFGTJENXXFPD-HUUCEWRRSA-N 1 3 322.457 0.493 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001699107748 1177863205 /nfs/dbraw/zinc/86/32/05/1177863205.db2.gz WHALYYMJKJDAIB-ZDUSSCGKSA-N 1 3 312.458 0.480 20 0 DCADHO CN(C(=O)COC1CC[NH+](C)CC1)[C@H](CNCCF)C1CC1 ZINC001700731557 1178724406 /nfs/dbraw/zinc/72/44/06/1178724406.db2.gz ANKZRZHAIBAHTD-OAHLLOKOSA-N 1 3 315.433 0.893 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001703224653 1179404507 /nfs/dbraw/zinc/40/45/07/1179404507.db2.gz JQXVMHGXTVXWMF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001703224653 1179404513 /nfs/dbraw/zinc/40/45/13/1179404513.db2.gz JQXVMHGXTVXWMF-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001713173234 1180707855 /nfs/dbraw/zinc/70/78/55/1180707855.db2.gz UUSNYTOSELLLMZ-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cncn1C ZINC001713590773 1180948847 /nfs/dbraw/zinc/94/88/47/1180948847.db2.gz PZLCIHZALNGEGE-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1cncn1C ZINC001713590773 1180948852 /nfs/dbraw/zinc/94/88/52/1180948852.db2.gz PZLCIHZALNGEGE-OAHLLOKOSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)NC1CC1 ZINC001713686699 1181015248 /nfs/dbraw/zinc/01/52/48/1181015248.db2.gz DRXPFGVRAGZISI-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)CC(=O)NC1CC1 ZINC001713686699 1181015252 /nfs/dbraw/zinc/01/52/52/1181015252.db2.gz DRXPFGVRAGZISI-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC1C[NH2+]C1 ZINC000237985946 1181308985 /nfs/dbraw/zinc/30/89/85/1181308985.db2.gz WOMLWIWNOANTAW-UHFFFAOYSA-N 1 3 302.422 0.677 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)CC(F)(F)F)C(=O)CN1CCCC1 ZINC001714793539 1181551087 /nfs/dbraw/zinc/55/10/87/1181551087.db2.gz ASQKWLZCXDLXBZ-NSHDSACASA-N 1 3 311.348 0.444 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@@H]1CCCN1C ZINC001715724761 1181959983 /nfs/dbraw/zinc/95/99/83/1181959983.db2.gz XOJFKQHDAXPGMO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001715977760 1182128291 /nfs/dbraw/zinc/12/82/91/1182128291.db2.gz DWDAUANACKAFDG-GOEBONIOSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@@H](CC[NH2+]CCc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001716174485 1182233395 /nfs/dbraw/zinc/23/33/95/1182233395.db2.gz SQOXNVULTRGQMU-GJZGRUSLSA-N 1 3 321.469 0.789 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001716238049 1182270523 /nfs/dbraw/zinc/27/05/23/1182270523.db2.gz XKHNEZBJDYGDOY-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001716350098 1182351610 /nfs/dbraw/zinc/35/16/10/1182351610.db2.gz ATTYVAYWGLCXHO-ZYDHHDLOSA-N 1 3 322.453 0.400 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001716350098 1182351614 /nfs/dbraw/zinc/35/16/14/1182351614.db2.gz ATTYVAYWGLCXHO-ZYDHHDLOSA-N 1 3 322.453 0.400 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1 ZINC001716788399 1182525928 /nfs/dbraw/zinc/52/59/28/1182525928.db2.gz GRMAVFQWYAWCHG-AWEZNQCLSA-N 1 3 308.430 0.201 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001716988460 1182612696 /nfs/dbraw/zinc/61/26/96/1182612696.db2.gz ANZUIPNPWFNRDV-UONOGXRCSA-N 1 3 316.409 0.533 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001717098663 1182676681 /nfs/dbraw/zinc/67/66/81/1182676681.db2.gz GLBRGEYAEBIPGY-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001717098662 1182677250 /nfs/dbraw/zinc/67/72/50/1182677250.db2.gz GLBRGEYAEBIPGY-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO COCC[NH2+][C@@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001717253706 1182750571 /nfs/dbraw/zinc/75/05/71/1182750571.db2.gz GCYYPVQSEAJBCE-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO Cn1cc(CCN2CC=C(CNC(=O)CC[NH+](C)C)CC2)cn1 ZINC001718027355 1183116580 /nfs/dbraw/zinc/11/65/80/1183116580.db2.gz IQEIABMCIHSYMC-UHFFFAOYSA-N 1 3 319.453 0.663 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001720155011 1183486945 /nfs/dbraw/zinc/48/69/45/1183486945.db2.gz UMMUCMKVYBCPIZ-CYBMUJFWSA-N 1 3 321.425 0.367 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001720155011 1183486946 /nfs/dbraw/zinc/48/69/46/1183486946.db2.gz UMMUCMKVYBCPIZ-CYBMUJFWSA-N 1 3 321.425 0.367 20 0 DCADHO CCN(CC)CC(=O)NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001720491826 1183628066 /nfs/dbraw/zinc/62/80/66/1183628066.db2.gz KDKKNEVSRBHXGE-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001720491826 1183628070 /nfs/dbraw/zinc/62/80/70/1183628070.db2.gz KDKKNEVSRBHXGE-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CCC[NH2+]Cc1cnnn1C)C(=O)CN(C)C1CCC1 ZINC001723038515 1184252356 /nfs/dbraw/zinc/25/23/56/1184252356.db2.gz GJCVENCJVQIKGK-UHFFFAOYSA-N 1 3 308.430 0.238 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CCn2cccn2)C1 ZINC001724826627 1184579698 /nfs/dbraw/zinc/57/96/98/1184579698.db2.gz PBAWPXURVFMUIK-OAHLLOKOSA-N 1 3 323.441 0.040 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]CCCO)[C@@H]2C1 ZINC001725621546 1184916152 /nfs/dbraw/zinc/91/61/52/1184916152.db2.gz KTJKBKXPXBXKHG-NWANDNLSSA-N 1 3 306.410 0.551 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731757348 1185471938 /nfs/dbraw/zinc/47/19/38/1185471938.db2.gz IBNPYPWXCPSREN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001731757348 1185471942 /nfs/dbraw/zinc/47/19/42/1185471942.db2.gz IBNPYPWXCPSREN-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731910568 1185567684 /nfs/dbraw/zinc/56/76/84/1185567684.db2.gz HEXOSVRFIOBMDH-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001731910568 1185567690 /nfs/dbraw/zinc/56/76/90/1185567690.db2.gz HEXOSVRFIOBMDH-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC1CCN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001731983910 1185624981 /nfs/dbraw/zinc/62/49/81/1185624981.db2.gz LZABEJSVURCVOC-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO CC1CCN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001731983910 1185624984 /nfs/dbraw/zinc/62/49/84/1185624984.db2.gz LZABEJSVURCVOC-OAHLLOKOSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)NCC1CC1 ZINC001731986095 1185627039 /nfs/dbraw/zinc/62/70/39/1185627039.db2.gz HVGODRJPZDTVJV-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](O)CNCCF)C1 ZINC001732658626 1185901741 /nfs/dbraw/zinc/90/17/41/1185901741.db2.gz QTXYMKXHOSHJRZ-BXUZGUMPSA-N 1 3 307.385 0.235 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H](O)CNCCF)C1 ZINC001732658626 1185901745 /nfs/dbraw/zinc/90/17/45/1185901745.db2.gz QTXYMKXHOSHJRZ-BXUZGUMPSA-N 1 3 307.385 0.235 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732691471 1185922425 /nfs/dbraw/zinc/92/24/25/1185922425.db2.gz AFMLPOHADDVXSR-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO COc1ccc(CNC/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001732933718 1186067988 /nfs/dbraw/zinc/06/79/88/1186067988.db2.gz LUGXVQJXMVKVFC-BWPKMQGJSA-N 1 3 318.421 0.804 20 0 DCADHO COc1ccc(CNC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001732933718 1186067994 /nfs/dbraw/zinc/06/79/94/1186067994.db2.gz LUGXVQJXMVKVFC-BWPKMQGJSA-N 1 3 318.421 0.804 20 0 DCADHO COc1cc(CNC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001732934961 1186069039 /nfs/dbraw/zinc/06/90/39/1186069039.db2.gz UAWMOBQHMNUJBS-NHZBNJEXSA-N 1 3 318.421 0.804 20 0 DCADHO COc1cc(CNC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001732934961 1186069043 /nfs/dbraw/zinc/06/90/43/1186069043.db2.gz UAWMOBQHMNUJBS-NHZBNJEXSA-N 1 3 318.421 0.804 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC1CC1 ZINC001733105547 1186141299 /nfs/dbraw/zinc/14/12/99/1186141299.db2.gz BUQXOVAHIJWYEE-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001747228435 1188254388 /nfs/dbraw/zinc/25/43/88/1188254388.db2.gz VEDFCMAPMFJPKI-SREVYHEPSA-N 1 3 324.469 0.459 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001752952248 1188467234 /nfs/dbraw/zinc/46/72/34/1188467234.db2.gz VHSMZDHNSQVHFE-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001753999086 1188706661 /nfs/dbraw/zinc/70/66/61/1188706661.db2.gz FKPULCPATHQSSP-KGLIPLIRSA-N 1 3 308.430 0.104 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)NC(=O)C(C)(C)N1CCCC1 ZINC001754237913 1188796041 /nfs/dbraw/zinc/79/60/41/1188796041.db2.gz ZHHBCQDBVQDCBR-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCO[C@H](C[NH2+]CCO)C2)c1 ZINC001755016901 1188997545 /nfs/dbraw/zinc/99/75/45/1188997545.db2.gz GTHLORNYBKUQHD-MRXNPFEDSA-N 1 3 321.421 0.171 20 0 DCADHO CCOCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001755443966 1189113570 /nfs/dbraw/zinc/11/35/70/1189113570.db2.gz FCEZSDSOJTVHLR-GXTWGEPZSA-N 1 3 310.398 0.194 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCn3cncn3)C2)CCC1 ZINC001755471945 1189121241 /nfs/dbraw/zinc/12/12/41/1189121241.db2.gz JCTKXHOQRJRXFX-HDJSIYSDSA-N 1 3 320.441 0.247 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001758496411 1189907795 /nfs/dbraw/zinc/90/77/95/1189907795.db2.gz BRFKSBJZLDHYEW-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001758496411 1189907799 /nfs/dbraw/zinc/90/77/99/1189907799.db2.gz BRFKSBJZLDHYEW-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001771744990 1190486243 /nfs/dbraw/zinc/48/62/43/1190486243.db2.gz NGSPCHATVMJDPN-DMDPSCGWSA-N 1 3 309.418 0.209 20 0 DCADHO O=C(N1CCC2(CC1)CNCCO2)C12CCC[NH+](CCC1)C2 ZINC001772285441 1190653943 /nfs/dbraw/zinc/65/39/43/1190653943.db2.gz TXWLBNIGCKRJIQ-UHFFFAOYSA-N 1 3 307.438 0.843 20 0 DCADHO Nc1cc[nH+]c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745698 720606753 /nfs/dbraw/zinc/60/67/53/720606753.db2.gz VOLOMGGNGNSGIR-UONOGXRCSA-N 1 3 312.377 0.796 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(CN)ncn3)CC[C@@H]2C1 ZINC001164852284 720846980 /nfs/dbraw/zinc/84/69/80/720846980.db2.gz JXDGLABTUXXAOV-UKRRQHHQSA-N 1 3 321.425 0.109 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(c3cc(CN)ncn3)CC[C@@H]2C1 ZINC001164852284 720846984 /nfs/dbraw/zinc/84/69/84/720846984.db2.gz JXDGLABTUXXAOV-UKRRQHHQSA-N 1 3 321.425 0.109 20 0 DCADHO c1nc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)nc2c1C[NH2+]C2 ZINC001164967087 722071455 /nfs/dbraw/zinc/07/14/55/722071455.db2.gz HOJHZESYPLRUAC-OKILXGFUSA-N 1 3 301.394 0.379 20 0 DCADHO CCN1CCN(C2CN(C(=O)C[C@@H]([NH3+])CCSC)C2)CC1 ZINC001577775227 1164788529 /nfs/dbraw/zinc/78/85/29/1164788529.db2.gz BFNOBEIUYCDNIM-ZDUSSCGKSA-N 1 3 314.499 0.305 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127479311 751413813 /nfs/dbraw/zinc/41/38/13/751413813.db2.gz BZSXBAOXYQUXRE-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](CCO)CC(C)(C)C2)C1 ZINC001089490832 751417866 /nfs/dbraw/zinc/41/78/66/751417866.db2.gz GAJXJKQJSNZFLZ-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCO)CC(C)(C)C2)C1 ZINC001089490832 751417868 /nfs/dbraw/zinc/41/78/68/751417868.db2.gz GAJXJKQJSNZFLZ-LSDHHAIUSA-N 1 3 311.470 0.927 20 0 DCADHO COc1cc(CNCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccn1 ZINC001127685100 751627504 /nfs/dbraw/zinc/62/75/04/751627504.db2.gz CHEFGLXWQMGDEW-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccn1 ZINC001127685100 751627510 /nfs/dbraw/zinc/62/75/10/751627510.db2.gz CHEFGLXWQMGDEW-TZMCWYRMSA-N 1 3 306.410 0.636 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001127701654 751645926 /nfs/dbraw/zinc/64/59/26/751645926.db2.gz UBHUVFLSRSJRSB-BFHYXJOUSA-N 1 3 312.458 0.467 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001127701654 751645928 /nfs/dbraw/zinc/64/59/28/751645928.db2.gz UBHUVFLSRSJRSB-BFHYXJOUSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(CC)C2CC2)CC[N@@H+]1C ZINC001127706575 751713402 /nfs/dbraw/zinc/71/34/02/751713402.db2.gz NSCQRNQZLRXZDM-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N(CC)C2CC2)CC[N@H+]1C ZINC001127706575 751713405 /nfs/dbraw/zinc/71/34/05/751713405.db2.gz NSCQRNQZLRXZDM-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779647 752065684 /nfs/dbraw/zinc/06/56/84/752065684.db2.gz PFYARSGZHUDFMQ-JKSUJKDBSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779647 752065692 /nfs/dbraw/zinc/06/56/92/752065692.db2.gz PFYARSGZHUDFMQ-JKSUJKDBSA-N 1 3 318.421 0.459 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209444358 746998739 /nfs/dbraw/zinc/99/87/39/746998739.db2.gz FYDRUOUSNDUSBU-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001167224489 747025191 /nfs/dbraw/zinc/02/51/91/747025191.db2.gz KXVMFUTZPJLWDL-ZIAGYGMSSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001167232796 747031061 /nfs/dbraw/zinc/03/10/61/747031061.db2.gz QDKFQPROVQSHKY-ZIAGYGMSSA-N 1 3 322.453 0.093 20 0 DCADHO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@H]1CCN(C)C1 ZINC001167273258 747049231 /nfs/dbraw/zinc/04/92/31/747049231.db2.gz ZVRDGZANDSJQCN-CFVMTHIKSA-N 1 3 318.421 0.982 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211257885 747186219 /nfs/dbraw/zinc/18/62/19/747186219.db2.gz WIOQHAZZRCDOIK-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)C[C@@H]3CNCC3(F)F)C2)CC1 ZINC001161378730 747331030 /nfs/dbraw/zinc/33/10/30/747331030.db2.gz MHYGPSPHXVKHSK-DGCLKSJQSA-N 1 3 316.396 0.255 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676213 747593249 /nfs/dbraw/zinc/59/32/49/747593249.db2.gz KMGVDSIHQDWRJX-NFOMZHRRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCCO ZINC001104676712 747826587 /nfs/dbraw/zinc/82/65/87/747826587.db2.gz VDZFHLOUSBEKOY-OWCLPIDISA-N 1 3 311.470 0.927 20 0 DCADHO O=S1(=O)CCCN1CCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000695059893 747827265 /nfs/dbraw/zinc/82/72/65/747827265.db2.gz PRYBROUCCHLQRM-CQSZACIVSA-N 1 3 301.456 0.486 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2cnnn2C)C1 ZINC001100769659 747901496 /nfs/dbraw/zinc/90/14/96/747901496.db2.gz VHLGTQJFJQJCOY-UHFFFAOYSA-N 1 3 308.430 0.141 20 0 DCADHO CCCCNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320638 748130592 /nfs/dbraw/zinc/13/05/92/748130592.db2.gz DPEVTJZATHUTAX-UHFFFAOYSA-N 1 3 308.430 0.503 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-n1nnc(CC[NH3+])n1 ZINC001167791474 748313968 /nfs/dbraw/zinc/31/39/68/748313968.db2.gz MZCVBXHYLPVMLY-UHFFFAOYSA-N 1 3 318.385 0.002 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161259212 748507335 /nfs/dbraw/zinc/50/73/35/748507335.db2.gz ZXTUVGZZGHRTLB-CYBMUJFWSA-N 1 3 313.442 0.894 20 0 DCADHO CN(CC(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1)C1CCC1 ZINC001088327770 749370870 /nfs/dbraw/zinc/37/08/70/749370870.db2.gz WHFWMJQSGJAGAA-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1)C1CC1 ZINC001088327565 749371342 /nfs/dbraw/zinc/37/13/42/749371342.db2.gz QFVXFMGYDGBBQK-DZGCQCFKSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088329881 749372946 /nfs/dbraw/zinc/37/29/46/749372946.db2.gz JRMAVDGQIXTKQH-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001088329881 749372950 /nfs/dbraw/zinc/37/29/50/749372950.db2.gz JRMAVDGQIXTKQH-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088382666 749412607 /nfs/dbraw/zinc/41/26/07/749412607.db2.gz ISQYZRFTHZMRMS-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2)CC(C)(C)C ZINC001203427480 749553981 /nfs/dbraw/zinc/55/39/81/749553981.db2.gz UGRHRRZCJVBVCY-ZIAGYGMSSA-N 1 3 311.470 0.974 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168335237 749921122 /nfs/dbraw/zinc/92/11/22/749921122.db2.gz CNXMVVQUDZAWSL-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077128056 750214144 /nfs/dbraw/zinc/21/41/44/750214144.db2.gz VOGMVIMRCMUCAL-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077128056 750214148 /nfs/dbraw/zinc/21/41/48/750214148.db2.gz VOGMVIMRCMUCAL-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CN1CCCO ZINC001071646492 762019675 /nfs/dbraw/zinc/01/96/75/762019675.db2.gz ZMFWEZNCJFWEMT-GJZGRUSLSA-N 1 3 309.454 0.966 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127253975 750925648 /nfs/dbraw/zinc/92/56/48/750925648.db2.gz BOTBHVDDLYCGSC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127253975 750925653 /nfs/dbraw/zinc/92/56/53/750925653.db2.gz BOTBHVDDLYCGSC-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668234 751222455 /nfs/dbraw/zinc/22/24/55/751222455.db2.gz IWEGITQVJCAPCQ-QLFBSQMISA-N 1 3 311.470 0.783 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC001044858280 752904725 /nfs/dbraw/zinc/90/47/25/752904725.db2.gz RATZGYYZWWZYOG-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C)C1CCC1 ZINC001045070330 753032742 /nfs/dbraw/zinc/03/27/42/753032742.db2.gz DGEQLUXPPNYZTI-INIZCTEOSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CNCc1cnnn1C)[NH+](C)C ZINC001045078738 753036751 /nfs/dbraw/zinc/03/67/51/753036751.db2.gz LXRQXEQHRGWRRZ-ZFWWWQNUSA-N 1 3 322.457 0.482 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C)N(C)C ZINC001045089887 753042771 /nfs/dbraw/zinc/04/27/71/753042771.db2.gz PCMVWGJSCVTUTA-DZGCQCFKSA-N 1 3 307.442 0.841 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001045089960 753043195 /nfs/dbraw/zinc/04/31/95/753043195.db2.gz SJURQKOZEPKYCT-LSDHHAIUSA-N 1 3 307.442 0.841 20 0 DCADHO O=C(N1CCC[C@H]1CN[C@@H]1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001045105506 753048484 /nfs/dbraw/zinc/04/84/84/753048484.db2.gz BFIYAVRUYAUACZ-UONOGXRCSA-N 1 3 320.437 0.084 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045201216 753089043 /nfs/dbraw/zinc/08/90/43/753089043.db2.gz XSOHQXIIKBIHEM-KGLIPLIRSA-N 1 3 320.441 0.380 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CNCc1cnnn1C ZINC001045201216 753089045 /nfs/dbraw/zinc/08/90/45/753089045.db2.gz XSOHQXIIKBIHEM-KGLIPLIRSA-N 1 3 320.441 0.380 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)CC[N@@H+](C)CC)N(C)C ZINC001078395531 753220191 /nfs/dbraw/zinc/22/01/91/753220191.db2.gz HNELGHDSQSLFMA-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CC)N(C)C ZINC001078395531 753220184 /nfs/dbraw/zinc/22/01/84/753220184.db2.gz HNELGHDSQSLFMA-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO CC[NH+]1CCC(C)(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001045506720 753220765 /nfs/dbraw/zinc/22/07/65/753220765.db2.gz YVTZPASIADTUNW-UUCFBXCCSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CC3CC3)C2)C1 ZINC001078468594 753262875 /nfs/dbraw/zinc/26/28/75/753262875.db2.gz KBZZKTDRXVOPCG-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045789753 753332613 /nfs/dbraw/zinc/33/26/13/753332613.db2.gz PUFMJUSEOWZHRG-PMPSAXMXSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045789753 753332616 /nfs/dbraw/zinc/33/26/16/753332616.db2.gz PUFMJUSEOWZHRG-PMPSAXMXSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@]1(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+](CC2CC2)C1 ZINC001046500795 753753216 /nfs/dbraw/zinc/75/32/16/753753216.db2.gz FHWZEJDBHBJIDA-FYRJDAGRSA-N 1 3 319.449 0.840 20 0 DCADHO C[C@]1(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+](CC2CC2)C1 ZINC001046500795 753753220 /nfs/dbraw/zinc/75/32/20/753753220.db2.gz FHWZEJDBHBJIDA-FYRJDAGRSA-N 1 3 319.449 0.840 20 0 DCADHO Cn1cc(CCN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001046831378 753965858 /nfs/dbraw/zinc/96/58/58/753965858.db2.gz KFINCOBJZXJYDX-WBVHZDCISA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001046831378 753965862 /nfs/dbraw/zinc/96/58/62/753965862.db2.gz KFINCOBJZXJYDX-WBVHZDCISA-N 1 3 319.453 0.495 20 0 DCADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047381033 754229218 /nfs/dbraw/zinc/22/92/18/754229218.db2.gz DSFNPWCJUADUOV-KKUMJFAQSA-N 1 3 313.417 0.191 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(N)=O ZINC001128786109 754288704 /nfs/dbraw/zinc/28/87/04/754288704.db2.gz RPRZYBQAGPRDHU-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@@H]1CCC[N@H+]1CCC)C(N)=O ZINC001128786109 754288706 /nfs/dbraw/zinc/28/87/06/754288706.db2.gz RPRZYBQAGPRDHU-KBPBESRZSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047473477 754313420 /nfs/dbraw/zinc/31/34/20/754313420.db2.gz SUDJLMRHQRDTBG-HRCADAONSA-N 1 3 309.454 0.773 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccnc(OC)n1 ZINC001168755105 754393928 /nfs/dbraw/zinc/39/39/28/754393928.db2.gz IGIOWYUHBLTKQX-UHFFFAOYSA-N 1 3 309.414 0.423 20 0 DCADHO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986914 754563521 /nfs/dbraw/zinc/56/35/21/754563521.db2.gz GKJGRGGEYWGFJT-JSGCOSHPSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986038 754563773 /nfs/dbraw/zinc/56/37/73/754563773.db2.gz BHGQKNLBQNZTKK-CHWSQXEVSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986040 754564009 /nfs/dbraw/zinc/56/40/09/754564009.db2.gz BHGQKNLBQNZTKK-QWHCGFSZSA-N 1 3 316.409 0.713 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)CC1 ZINC001048560604 754807153 /nfs/dbraw/zinc/80/71/53/754807153.db2.gz MKNDTUOIRCRRIV-YOWGUQMCSA-N 1 3 322.453 0.173 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)CN(CC)CC)C(N)=O ZINC001168762388 754885521 /nfs/dbraw/zinc/88/55/21/754885521.db2.gz ALOXGYCTUIXFGP-CYBMUJFWSA-N 1 3 300.447 0.468 20 0 DCADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048833070 754967846 /nfs/dbraw/zinc/96/78/46/754967846.db2.gz JMQHLRCNCYMFFB-VVLHAWIVSA-N 1 3 319.449 0.650 20 0 DCADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001048833070 754967847 /nfs/dbraw/zinc/96/78/47/754967847.db2.gz JMQHLRCNCYMFFB-VVLHAWIVSA-N 1 3 319.449 0.650 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001048875682 754991483 /nfs/dbraw/zinc/99/14/83/754991483.db2.gz INKSGQFSXZECFU-NCOADZHNSA-N 1 3 323.481 0.999 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001048875682 754991490 /nfs/dbraw/zinc/99/14/90/754991490.db2.gz INKSGQFSXZECFU-NCOADZHNSA-N 1 3 323.481 0.999 20 0 DCADHO CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943437 755032419 /nfs/dbraw/zinc/03/24/19/755032419.db2.gz DEXWNMIHNPYTLB-HJTLVLNNSA-N 1 3 305.422 0.260 20 0 DCADHO CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943437 755032422 /nfs/dbraw/zinc/03/24/22/755032422.db2.gz DEXWNMIHNPYTLB-HJTLVLNNSA-N 1 3 305.422 0.260 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049057308 755095069 /nfs/dbraw/zinc/09/50/69/755095069.db2.gz DKAHWJSPPINSJJ-QXSJWSMHSA-N 1 3 309.454 0.753 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049057308 755095073 /nfs/dbraw/zinc/09/50/73/755095073.db2.gz DKAHWJSPPINSJJ-QXSJWSMHSA-N 1 3 309.454 0.753 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001168764278 755623697 /nfs/dbraw/zinc/62/36/97/755623697.db2.gz XEUWXVCURDLEMC-CYBMUJFWSA-N 1 3 308.430 0.203 20 0 DCADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080783613 756338690 /nfs/dbraw/zinc/33/86/90/756338690.db2.gz XXTQPXXMQNRMBD-RBSFLKMASA-N 1 3 320.441 0.056 20 0 DCADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080783613 756338694 /nfs/dbraw/zinc/33/86/94/756338694.db2.gz XXTQPXXMQNRMBD-RBSFLKMASA-N 1 3 320.441 0.056 20 0 DCADHO CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959272 756879318 /nfs/dbraw/zinc/87/93/18/756879318.db2.gz BIVDMJOSECCXQN-VXSWHIBVSA-N 1 3 323.437 0.073 20 0 DCADHO CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959272 756879325 /nfs/dbraw/zinc/87/93/25/756879325.db2.gz BIVDMJOSECCXQN-VXSWHIBVSA-N 1 3 323.437 0.073 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)C(N)=O ZINC001082743399 757254381 /nfs/dbraw/zinc/25/43/81/757254381.db2.gz YBGFKCUMTIUZBO-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084347427 757797678 /nfs/dbraw/zinc/79/76/78/757797678.db2.gz RHHXMMWKHYXXHJ-OWCLPIDISA-N 1 3 307.438 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](C[C@H](C)O)CC2)N(C)C ZINC001050554373 757834440 /nfs/dbraw/zinc/83/44/40/757834440.db2.gz VFOWBCQRHWZNCO-GJZGRUSLSA-N 1 3 311.470 0.878 20 0 DCADHO C[C@H](O)CN1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084445640 757863292 /nfs/dbraw/zinc/86/32/92/757863292.db2.gz ADVJTVLCSCYFTO-ARFHVFGLSA-N 1 3 321.465 0.776 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050661813 757940183 /nfs/dbraw/zinc/94/01/83/757940183.db2.gz CTAMRPKYUZZJRU-GJZGRUSLSA-N 1 3 309.454 0.633 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCc2cccc3c2CCN(CCO)C3)C1 ZINC001051307281 758571877 /nfs/dbraw/zinc/57/18/77/758571877.db2.gz ULLYGQBDSPEETR-INIZCTEOSA-N 1 3 317.433 0.605 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCc2cccc3c2CCN(CCO)C3)C1 ZINC001051307281 758571880 /nfs/dbraw/zinc/57/18/80/758571880.db2.gz ULLYGQBDSPEETR-INIZCTEOSA-N 1 3 317.433 0.605 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001085295410 758803214 /nfs/dbraw/zinc/80/32/14/758803214.db2.gz FJCQHUIBUSYWOO-BFHYXJOUSA-N 1 3 324.469 0.752 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001051683993 758860441 /nfs/dbraw/zinc/86/04/41/758860441.db2.gz UTGRCZIGDAOPPX-LSDHHAIUSA-N 1 3 323.441 0.077 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001051684134 758860592 /nfs/dbraw/zinc/86/05/92/758860592.db2.gz YBJQNMAQYQRSKI-HUUCEWRRSA-N 1 3 323.441 0.077 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001051848105 758986676 /nfs/dbraw/zinc/98/66/76/758986676.db2.gz KJRUSQGSZIZNKB-HNNXBMFYSA-N 1 3 306.410 0.959 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](CCO)CCOC)CC1)N(C)C ZINC001098479953 762678070 /nfs/dbraw/zinc/67/80/70/762678070.db2.gz IMCIPJDEBFWGPW-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCO)CCOC)CC1)N(C)C ZINC001098479953 762678074 /nfs/dbraw/zinc/67/80/74/762678074.db2.gz IMCIPJDEBFWGPW-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052118620 759183642 /nfs/dbraw/zinc/18/36/42/759183642.db2.gz SZVMSIYMEYBHIR-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052118620 759183651 /nfs/dbraw/zinc/18/36/51/759183651.db2.gz SZVMSIYMEYBHIR-HOTGVXAUSA-N 1 3 308.470 0.567 20 0 DCADHO Cc1ncsc1CNCCNC(=O)COCC[NH+](C)C ZINC001147842065 767858021 /nfs/dbraw/zinc/85/80/21/767858021.db2.gz LDZYWGVTKBNOAI-UHFFFAOYSA-N 1 3 300.428 0.236 20 0 DCADHO O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086152925 759768818 /nfs/dbraw/zinc/76/88/18/759768818.db2.gz PWNWHZJROHIHTE-JDZQBJQSSA-N 1 3 311.401 0.304 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994441 767902056 /nfs/dbraw/zinc/90/20/56/767902056.db2.gz HDHGPYOWNWSABL-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1)C(N)=O ZINC001086364421 760106804 /nfs/dbraw/zinc/10/68/04/760106804.db2.gz CZCYUCHNPSUQRK-TUVASFSCSA-N 1 3 324.469 0.608 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791775 760173192 /nfs/dbraw/zinc/17/31/92/760173192.db2.gz YGYJGUDHJMNUOE-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccc(O)cc1)C(O)O)C2 ZINC001169108925 760593039 /nfs/dbraw/zinc/59/30/39/760593039.db2.gz WIDXKMDWXAKSCD-AYDFFVQHSA-N 1 3 306.406 0.829 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@@]2(C[NH3+])CN3CCC2CC3)CO1 ZINC001169351380 760646046 /nfs/dbraw/zinc/64/60/46/760646046.db2.gz YSOGYXUFMJONQV-YCPHGPKFSA-N 1 3 311.426 0.110 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148364805 767973640 /nfs/dbraw/zinc/97/36/40/767973640.db2.gz BRZDIXSNWVABDO-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO CCOC(=O)C1(Nc2cc3c(nn2)CNC3)CCN(C)CC1 ZINC001169490998 760707592 /nfs/dbraw/zinc/70/75/92/760707592.db2.gz CULSKQHDYICJHL-UHFFFAOYSA-N 1 3 305.382 0.519 20 0 DCADHO CCOC(=O)C1(Nc2cc3c(nn2)CNC3)CC[NH+](C)CC1 ZINC001169490998 760707604 /nfs/dbraw/zinc/70/76/04/760707604.db2.gz CULSKQHDYICJHL-UHFFFAOYSA-N 1 3 305.382 0.519 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365786 767974613 /nfs/dbraw/zinc/97/46/13/767974613.db2.gz ZUFJIROBQHKKCY-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO Cn1ccc(CNCCCNC(=O)COC2CC[NH+](C)CC2)n1 ZINC001169541286 760718203 /nfs/dbraw/zinc/71/82/03/760718203.db2.gz HXDVMIBINUXPOD-UHFFFAOYSA-N 1 3 323.441 0.127 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768681 761039036 /nfs/dbraw/zinc/03/90/36/761039036.db2.gz DLBMCWCWWBZNLA-SCRDCRAPSA-N 1 3 319.409 0.057 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]C(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001070217803 761141461 /nfs/dbraw/zinc/14/14/61/761141461.db2.gz SSTPXRUCNZNRIF-MCIONIFRSA-N 1 3 308.430 0.368 20 0 DCADHO CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070275669 761160253 /nfs/dbraw/zinc/16/02/53/761160253.db2.gz ZEGYZFKYQNHZRV-KFWWJZLASA-N 1 3 320.441 0.514 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275450 761160861 /nfs/dbraw/zinc/16/08/61/761160861.db2.gz NGQHVDWLMJGALY-KFWWJZLASA-N 1 3 320.441 0.370 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@@H]1n1ccnn1 ZINC001070332735 761171862 /nfs/dbraw/zinc/17/18/62/761171862.db2.gz SAVOBULGXDCLKH-ILXRZTDVSA-N 1 3 320.441 0.514 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCC(C)C ZINC001148578143 768019624 /nfs/dbraw/zinc/01/96/24/768019624.db2.gz OTFAZQYUAHPXRF-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCC(C)C ZINC001148578143 768019628 /nfs/dbraw/zinc/01/96/28/768019628.db2.gz OTFAZQYUAHPXRF-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC001148656122 768025129 /nfs/dbraw/zinc/02/51/29/768025129.db2.gz VVQVVLMHMBUDEZ-ZDUSSCGKSA-N 1 3 324.425 0.332 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](O)COC ZINC001154069946 770061525 /nfs/dbraw/zinc/06/15/25/770061525.db2.gz PZCATGQNAVZNIC-KGLIPLIRSA-N 1 3 317.474 0.551 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](O)COC ZINC001154069946 770061538 /nfs/dbraw/zinc/06/15/38/770061538.db2.gz PZCATGQNAVZNIC-KGLIPLIRSA-N 1 3 317.474 0.551 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001071053904 761601798 /nfs/dbraw/zinc/60/17/98/761601798.db2.gz PRGSBIJCGUSMQZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001071053904 761601802 /nfs/dbraw/zinc/60/18/02/761601802.db2.gz PRGSBIJCGUSMQZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(N[C@]12CCC[C@H]1C[N@@H+](CCO)C2)[C@@H](C1CC1)N1CCCC1 ZINC001098960218 762765639 /nfs/dbraw/zinc/76/56/39/762765639.db2.gz RWLNLRJEXFAWGT-JZXOWHBKSA-N 1 3 321.465 0.824 20 0 DCADHO O=C(N[C@]12CCC[C@H]1C[N@H+](CCO)C2)[C@@H](C1CC1)N1CCCC1 ZINC001098960218 762765642 /nfs/dbraw/zinc/76/56/42/762765642.db2.gz RWLNLRJEXFAWGT-JZXOWHBKSA-N 1 3 321.465 0.824 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001129429735 762940773 /nfs/dbraw/zinc/94/07/73/762940773.db2.gz KMVIQSHVQCFWHW-ZIAGYGMSSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001129429735 762940779 /nfs/dbraw/zinc/94/07/79/762940779.db2.gz KMVIQSHVQCFWHW-ZIAGYGMSSA-N 1 3 310.442 0.363 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)n1 ZINC001129435259 762942695 /nfs/dbraw/zinc/94/26/95/762942695.db2.gz DEQRUKLXXUBVTG-CQSZACIVSA-N 1 3 309.414 0.357 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F)C1CC1 ZINC001129442439 762945089 /nfs/dbraw/zinc/94/50/89/762945089.db2.gz AEXHHAWRPAZJTD-GHMZBOCLSA-N 1 3 311.348 0.346 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N[C@@H](C)C1CC1)[NH+](C)C ZINC001129950218 763054920 /nfs/dbraw/zinc/05/49/20/763054920.db2.gz ONMUVSNDFFDUHH-WFASDCNBSA-N 1 3 312.458 0.193 20 0 DCADHO COCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 ZINC001099879039 763095560 /nfs/dbraw/zinc/09/55/60/763095560.db2.gz DJEOBKRAFXKEID-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H](O)C1 ZINC001099879039 763095564 /nfs/dbraw/zinc/09/55/64/763095564.db2.gz DJEOBKRAFXKEID-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H](NCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001130173718 763161919 /nfs/dbraw/zinc/16/19/19/763161919.db2.gz LVMZGAUSEAHOTR-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186161 763164220 /nfs/dbraw/zinc/16/42/20/763164220.db2.gz BSOUAXKXAMNZAR-UKRRQHHQSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186161 763164225 /nfs/dbraw/zinc/16/42/25/763164225.db2.gz BSOUAXKXAMNZAR-UKRRQHHQSA-N 1 3 305.426 0.643 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O)CC(C)(C)C ZINC001100013577 763215387 /nfs/dbraw/zinc/21/53/87/763215387.db2.gz PILGEGCLJXCKRN-KBPBESRZSA-N 1 3 317.449 0.875 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O)CC(C)(C)C ZINC001100013577 763215394 /nfs/dbraw/zinc/21/53/94/763215394.db2.gz PILGEGCLJXCKRN-KBPBESRZSA-N 1 3 317.449 0.875 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001100041218 763248676 /nfs/dbraw/zinc/24/86/76/763248676.db2.gz GFDMLUSRWSALBR-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN(CC)CC)[C@@H](O)C1 ZINC001100041218 763248685 /nfs/dbraw/zinc/24/86/85/763248685.db2.gz GFDMLUSRWSALBR-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001130709141 763448698 /nfs/dbraw/zinc/44/86/98/763448698.db2.gz VGPGXTMVASDBTA-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001130709141 763448702 /nfs/dbraw/zinc/44/87/02/763448702.db2.gz VGPGXTMVASDBTA-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130709192 763449529 /nfs/dbraw/zinc/44/95/29/763449529.db2.gz WOWWEQHIAFPINO-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130709192 763449534 /nfs/dbraw/zinc/44/95/34/763449534.db2.gz WOWWEQHIAFPINO-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001100405637 763554695 /nfs/dbraw/zinc/55/46/95/763554695.db2.gz GHFAUHQFPBTQHJ-UHFFFAOYSA-N 1 3 322.453 0.234 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100411855 763561852 /nfs/dbraw/zinc/56/18/52/763561852.db2.gz WRSRIBJYZMIWHR-PNESKVBLSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H]([NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001100411856 763561941 /nfs/dbraw/zinc/56/19/41/763561941.db2.gz WTSFXIUJBMKHFJ-HSBZDZAISA-N 1 3 324.469 0.432 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001100411625 763562079 /nfs/dbraw/zinc/56/20/79/763562079.db2.gz JSVIHPDGVRJWIW-SSDMNJCBSA-N 1 3 322.453 0.186 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N2CCC[C@@]23CCC[NH2+]C3)C1=O ZINC001158162276 763567921 /nfs/dbraw/zinc/56/79/21/763567921.db2.gz WLSGNXKHHIWBJS-XJKSGUPXSA-N 1 3 308.426 0.071 20 0 DCADHO COC[C@H](O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647528 763700652 /nfs/dbraw/zinc/70/06/52/763700652.db2.gz ZZNYWERINSMDKY-NEXFUWMNSA-N 1 3 315.458 0.064 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2cncn2C)C1 ZINC001100677059 763717139 /nfs/dbraw/zinc/71/71/39/763717139.db2.gz XNESBIXCNNAVRD-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100677039 763717562 /nfs/dbraw/zinc/71/75/62/763717562.db2.gz WUPXZWUQVOAVBN-IYXRBSQSSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CCOCC(=O)NCC1CC(NCc2ccccn2)C1 ZINC001100867364 763833647 /nfs/dbraw/zinc/83/36/47/763833647.db2.gz RKSCAJAURXFTLO-UHFFFAOYSA-N 1 3 320.437 0.644 20 0 DCADHO CCNC(=O)CNCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799263 764036480 /nfs/dbraw/zinc/03/64/80/764036480.db2.gz KJPOKCZCTIRPJW-UHFFFAOYSA-N 1 3 320.437 0.246 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN[C@H]2CCNC2=O)CCCCC1 ZINC001131799336 764036801 /nfs/dbraw/zinc/03/68/01/764036801.db2.gz NPHLGACBSHEWLX-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@H+](CCC(=O)NCCN[C@@H]1CCNC1=O)C1CCCCC1 ZINC001131815832 764053758 /nfs/dbraw/zinc/05/37/58/764053758.db2.gz VPZAFHHIACZIFN-CQSZACIVSA-N 1 3 310.442 0.235 20 0 DCADHO C[N@@H+](CCC(=O)NCCN[C@@H]1CCNC1=O)C1CCCCC1 ZINC001131815832 764053763 /nfs/dbraw/zinc/05/37/63/764053763.db2.gz VPZAFHHIACZIFN-CQSZACIVSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)NC1CC1 ZINC001131845195 764062858 /nfs/dbraw/zinc/06/28/58/764062858.db2.gz TVUXOBXPDRPYIP-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001102523794 764677679 /nfs/dbraw/zinc/67/76/79/764677679.db2.gz JBOCVVLVDDTYRV-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001102523794 764677684 /nfs/dbraw/zinc/67/76/84/764677684.db2.gz JBOCVVLVDDTYRV-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1C ZINC001102525329 764679218 /nfs/dbraw/zinc/67/92/18/764679218.db2.gz WTRQNRILOSINEL-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001102525329 764679225 /nfs/dbraw/zinc/67/92/25/764679225.db2.gz WTRQNRILOSINEL-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051630 764802541 /nfs/dbraw/zinc/80/25/41/764802541.db2.gz IMXDCHCGQCISMV-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001133285677 764905901 /nfs/dbraw/zinc/90/59/01/764905901.db2.gz CRXYIDBSRFMYMD-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)N(C)CC1CC1)[NH+](C)C ZINC001133415611 764956270 /nfs/dbraw/zinc/95/62/70/764956270.db2.gz HHPMVCZEYHBNHG-OAHLLOKOSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NCCNCC(=O)NCc1ccco1)[NH+](C)C ZINC001133415973 764957375 /nfs/dbraw/zinc/95/73/75/764957375.db2.gz WZUXLCOZFVQVOR-OAHLLOKOSA-N 1 3 324.425 0.188 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103433736 765055067 /nfs/dbraw/zinc/05/50/67/765055067.db2.gz KIWBFTJVYIUABF-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103433736 765055072 /nfs/dbraw/zinc/05/50/72/765055072.db2.gz KIWBFTJVYIUABF-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C(=O)NCCNCC(=O)N(CC)CC)[NH+](CC)CC ZINC001133685602 765093439 /nfs/dbraw/zinc/09/34/39/765093439.db2.gz XDODBPZGDFWVCM-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CC[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)[NH+](CC)CC ZINC001133690498 765095811 /nfs/dbraw/zinc/09/58/11/765095811.db2.gz NBNVGZHTHOVKKZ-OLZOCXBDSA-N 1 3 300.447 0.289 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133823694 765154238 /nfs/dbraw/zinc/15/42/38/765154238.db2.gz MHGFSXWHQLTITF-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133823694 765154241 /nfs/dbraw/zinc/15/42/41/765154241.db2.gz MHGFSXWHQLTITF-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001133850937 765170679 /nfs/dbraw/zinc/17/06/79/765170679.db2.gz RYKNDWDYBGJIRZ-LSDHHAIUSA-N 1 3 313.442 0.230 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCCC[C@H]2C)C1 ZINC001133853971 765173097 /nfs/dbraw/zinc/17/30/97/765173097.db2.gz VACRJSRWLMCXEV-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCCC[C@H]2C)C1 ZINC001133853971 765173102 /nfs/dbraw/zinc/17/31/02/765173102.db2.gz VACRJSRWLMCXEV-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO COc1ncc(CNCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)n1 ZINC001133842637 765175622 /nfs/dbraw/zinc/17/56/22/765175622.db2.gz YHYOXXWLKQMHGN-GFCCVEGCSA-N 1 3 321.425 0.341 20 0 DCADHO COc1ncc(CNCCNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)n1 ZINC001133842637 765175630 /nfs/dbraw/zinc/17/56/30/765175630.db2.gz YHYOXXWLKQMHGN-GFCCVEGCSA-N 1 3 321.425 0.341 20 0 DCADHO CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN1C)c1nccn12 ZINC001092354903 768270396 /nfs/dbraw/zinc/27/03/96/768270396.db2.gz OLFRLANFKPAWGN-ZIAGYGMSSA-N 1 3 317.437 0.958 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849774 765181518 /nfs/dbraw/zinc/18/15/18/765181518.db2.gz DHGCVYDZHHLPMR-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849774 765181524 /nfs/dbraw/zinc/18/15/24/765181524.db2.gz DHGCVYDZHHLPMR-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001133856457 765182398 /nfs/dbraw/zinc/18/23/98/765182398.db2.gz GBQWMSDAHVBTNY-XHDPSFHLSA-N 1 3 316.421 0.169 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001133856457 765182401 /nfs/dbraw/zinc/18/24/01/765182401.db2.gz GBQWMSDAHVBTNY-XHDPSFHLSA-N 1 3 316.421 0.169 20 0 DCADHO COc1cc(CNCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)ccn1 ZINC001133867199 765192725 /nfs/dbraw/zinc/19/27/25/765192725.db2.gz RLZOUJNFUMANRS-TZMCWYRMSA-N 1 3 306.410 0.494 20 0 DCADHO COc1cc(CNCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)ccn1 ZINC001133867199 765192730 /nfs/dbraw/zinc/19/27/30/765192730.db2.gz RLZOUJNFUMANRS-TZMCWYRMSA-N 1 3 306.410 0.494 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869804 765196140 /nfs/dbraw/zinc/19/61/40/765196140.db2.gz LPYIBZXNPNJDSQ-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869804 765196150 /nfs/dbraw/zinc/19/61/50/765196150.db2.gz LPYIBZXNPNJDSQ-OLZOCXBDSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)c1cccc(OC)c1)N(C)C ZINC001133965798 765258832 /nfs/dbraw/zinc/25/88/32/765258832.db2.gz KFVDWFWLIVATPW-HOTGVXAUSA-N 1 3 323.437 0.775 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCn1c(C)csc1=O)N(C)C ZINC001133966212 765259313 /nfs/dbraw/zinc/25/93/13/765259313.db2.gz XTRSILBLRMJHCF-LBPRGKRZSA-N 1 3 314.455 0.264 20 0 DCADHO CC[C@@H](F)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020439 765289385 /nfs/dbraw/zinc/28/93/85/765289385.db2.gz AQGROSJOPHSBHK-UONOGXRCSA-N 1 3 303.422 0.941 20 0 DCADHO COCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159186 765468160 /nfs/dbraw/zinc/46/81/60/765468160.db2.gz VGRUYXFAYXXFPX-GHMZBOCLSA-N 1 3 311.348 0.563 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)C1CC1 ZINC001112399151 765524513 /nfs/dbraw/zinc/52/45/13/765524513.db2.gz FMZKNSMFSRHCDH-QRTARXTBSA-N 1 3 322.453 0.030 20 0 DCADHO C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001134583814 765581252 /nfs/dbraw/zinc/58/12/52/765581252.db2.gz OSXHPZZQUNFXPP-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CC1 ZINC001134612167 765589897 /nfs/dbraw/zinc/58/98/97/765589897.db2.gz ISCJOCCNBCXVFF-OLZOCXBDSA-N 1 3 324.469 0.622 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115115989 765594628 /nfs/dbraw/zinc/59/46/28/765594628.db2.gz HYMVNLWOUNFKRU-QLPKVWCKSA-N 1 3 311.470 0.927 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093805 765800598 /nfs/dbraw/zinc/80/05/98/765800598.db2.gz SGNJHZBKNYNYOF-ZFWWWQNUSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093805 765800601 /nfs/dbraw/zinc/80/06/01/765800601.db2.gz SGNJHZBKNYNYOF-ZFWWWQNUSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCCC[NH+](C)C)cn1 ZINC001118385093 766305116 /nfs/dbraw/zinc/30/51/16/766305116.db2.gz WQXXIMRGPJOOSN-CVEARBPZSA-N 1 3 321.469 0.913 20 0 DCADHO C[NH2+]CCOc1ccccc1C(=O)N1CCOC2(CNC2)C1 ZINC001119300344 766629984 /nfs/dbraw/zinc/62/99/84/766629984.db2.gz YYWAFMXZSFUACB-UHFFFAOYSA-N 1 3 305.378 0.099 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC001119354155 766643316 /nfs/dbraw/zinc/64/33/16/766643316.db2.gz BFSRDJMIMLJUPC-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)CN3)C[C@H]2C1 ZINC001160704290 767041073 /nfs/dbraw/zinc/04/10/73/767041073.db2.gz JCLNROFQVRSNAI-WRWGMCAJSA-N 1 3 305.344 0.937 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)CN3)C[C@H]2C1 ZINC001160704290 767041081 /nfs/dbraw/zinc/04/10/81/767041081.db2.gz JCLNROFQVRSNAI-WRWGMCAJSA-N 1 3 305.344 0.937 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227355 767052682 /nfs/dbraw/zinc/05/26/82/767052682.db2.gz OJUFRVYVBXFIQY-GFCCVEGCSA-N 1 3 311.455 0.784 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171227355 767052690 /nfs/dbraw/zinc/05/26/90/767052690.db2.gz OJUFRVYVBXFIQY-GFCCVEGCSA-N 1 3 311.455 0.784 20 0 DCADHO Cc1nccnc1CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091364870 767213904 /nfs/dbraw/zinc/21/39/04/767213904.db2.gz QILNAZTXOBJPPQ-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091364870 767213906 /nfs/dbraw/zinc/21/39/06/767213906.db2.gz QILNAZTXOBJPPQ-SLTAFYQDSA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H](C)C(=O)NC2CC2)CC1 ZINC001146377353 767437061 /nfs/dbraw/zinc/43/70/61/767437061.db2.gz ZNQLXAZJQPPSMU-ZDUSSCGKSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]Cc1ccn(C)n1)NC(=O)CN1CCCC1 ZINC001146340904 767438605 /nfs/dbraw/zinc/43/86/05/767438605.db2.gz UKAHCNRICAVDEM-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H](C)C(=O)N(C)C)CC1 ZINC001146383505 767451975 /nfs/dbraw/zinc/45/19/75/767451975.db2.gz HVVVTBCARCSSCC-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384934 767451982 /nfs/dbraw/zinc/45/19/82/767451982.db2.gz XARPCJQPOZTBQL-UHFFFAOYSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN(C)C3CCC3)C2)C1 ZINC001121238708 767476085 /nfs/dbraw/zinc/47/60/85/767476085.db2.gz RSRRMDOWTKOZRB-UHFFFAOYSA-N 1 3 322.453 0.234 20 0 DCADHO C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121238141 767476460 /nfs/dbraw/zinc/47/64/60/767476460.db2.gz JBYXXDCRDJWXKT-BAYAOMGESA-N 1 3 309.454 0.869 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001146591101 767484304 /nfs/dbraw/zinc/48/43/04/767484304.db2.gz FWICJUHZILSWAX-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(=O)NC)C2 ZINC001121935337 767672818 /nfs/dbraw/zinc/67/28/18/767672818.db2.gz NPYBDUZQINAXBH-FBVPLBQTSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@@H](C)O1 ZINC001121987908 767690968 /nfs/dbraw/zinc/69/09/68/767690968.db2.gz DYWTURGNOMIEFJ-DGXTUMSLSA-N 1 3 309.454 0.848 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001121996704 767692608 /nfs/dbraw/zinc/69/26/08/767692608.db2.gz LDEBIZHACMULLY-YJNKXOJESA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCOCCO)N(C)C ZINC001175304866 769886240 /nfs/dbraw/zinc/88/62/40/769886240.db2.gz MYAMNKIAVOJNNT-CABCVRRESA-N 1 3 317.474 0.600 20 0 DCADHO CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092837816 768401188 /nfs/dbraw/zinc/40/11/88/768401188.db2.gz IAWJXXOSXDBCOK-QVCPJDEESA-N 1 3 307.438 0.554 20 0 DCADHO CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092837816 768401194 /nfs/dbraw/zinc/40/11/94/768401194.db2.gz IAWJXXOSXDBCOK-QVCPJDEESA-N 1 3 307.438 0.554 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N[C@H](C)CC ZINC001171769883 769372252 /nfs/dbraw/zinc/37/22/52/769372252.db2.gz GWMIWKCLXNXDJN-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(CC)CC ZINC001171770571 769373366 /nfs/dbraw/zinc/37/33/66/769373366.db2.gz SXPOEQXYEDJPTN-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO CN1CCN(C(=O)CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172106039 769436295 /nfs/dbraw/zinc/43/62/95/769436295.db2.gz MQANEONLLPECEV-MUJYYYPQSA-N 1 3 308.470 0.755 20 0 DCADHO C[NH+](C)CCCN1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172179120 769454340 /nfs/dbraw/zinc/45/43/40/769454340.db2.gz KHAYLNIRHTWFKI-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN2[C@H](C)CC[C@@H]2C)n1 ZINC001152145869 769490252 /nfs/dbraw/zinc/49/02/52/769490252.db2.gz FTUPXALLMGACKZ-BETUJISGSA-N 1 3 323.441 0.889 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001152348899 769533430 /nfs/dbraw/zinc/53/34/30/769533430.db2.gz SDVCUFUSCACABD-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001152479032 769572732 /nfs/dbraw/zinc/57/27/32/769572732.db2.gz AKLQEYHZUJANSC-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](NCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(N)=O ZINC001152480697 769575067 /nfs/dbraw/zinc/57/50/67/769575067.db2.gz ZOXOCXKZALDZBJ-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CCCN1CCN([C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173762846 769716177 /nfs/dbraw/zinc/71/61/77/769716177.db2.gz DNQCWGUWRWNJQB-JKSUJKDBSA-N 1 3 321.473 0.726 20 0 DCADHO Cc1ncc(CNC2CCN(C(=O)COCC[NH+](C)C)CC2)o1 ZINC001203349805 769753517 /nfs/dbraw/zinc/75/35/17/769753517.db2.gz YMBMHKFCOVTJIS-UHFFFAOYSA-N 1 3 324.425 0.642 20 0 DCADHO CCn1cc(CC[NH2+]CCCNC(=O)Cc2nc[nH]c2C)cn1 ZINC001174682790 769778423 /nfs/dbraw/zinc/77/84/23/769778423.db2.gz NRDFTLDKBYMJJL-UHFFFAOYSA-N 1 3 318.425 0.816 20 0 DCADHO Cn1nccc1CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314055 769780451 /nfs/dbraw/zinc/78/04/51/769780451.db2.gz CCOSRKDJYRHDRH-UHFFFAOYSA-N 1 3 307.442 0.892 20 0 DCADHO CN1CC[C@H](NCCNC(=O)CCCC[NH+]2CCCC2)C1=O ZINC001153315095 769781887 /nfs/dbraw/zinc/78/18/87/769781887.db2.gz XSFMVJAXPQMHAS-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO c1c(CN2C[C@@H]3COC[C@H](C2)N3)c2cccc3c2n1CC[NH2+]C3 ZINC001235299858 769799250 /nfs/dbraw/zinc/79/92/50/769799250.db2.gz NCEFPHIAXSFFNM-IYBDPMFKSA-N 1 3 312.417 0.917 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cnnn1C)N(C)C ZINC001175317581 769887166 /nfs/dbraw/zinc/88/71/66/769887166.db2.gz QADBLHQHHUSEKZ-HIFRSBDPSA-N 1 3 324.473 0.920 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3ccc(=O)[nH]n3)C[C@H]1C2 ZINC001236028855 769970218 /nfs/dbraw/zinc/97/02/18/769970218.db2.gz GWELNASFMXUIFI-HBCZOZSTSA-N 1 3 318.377 0.013 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001176072378 770012317 /nfs/dbraw/zinc/01/23/17/770012317.db2.gz RJBRSIPSSWRFOD-GFCCVEGCSA-N 1 3 307.398 0.033 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001176072378 770012332 /nfs/dbraw/zinc/01/23/32/770012332.db2.gz RJBRSIPSSWRFOD-GFCCVEGCSA-N 1 3 307.398 0.033 20 0 DCADHO Cc1cnc([C@H](C)NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001176057502 770025149 /nfs/dbraw/zinc/02/51/49/770025149.db2.gz PFEVPFPBTOFESF-UONOGXRCSA-N 1 3 305.426 0.894 20 0 DCADHO Cc1cnc([C@H](C)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001176057502 770025163 /nfs/dbraw/zinc/02/51/63/770025163.db2.gz PFEVPFPBTOFESF-UONOGXRCSA-N 1 3 305.426 0.894 20 0 DCADHO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2C[C@H]2COCCN2)c1 ZINC001237435471 770040139 /nfs/dbraw/zinc/04/01/39/770040139.db2.gz HRJCTUGIVCZZAF-HOTGVXAUSA-N 1 3 319.405 0.408 20 0 DCADHO NCCS(=O)(=O)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001239101977 770179937 /nfs/dbraw/zinc/17/99/37/770179937.db2.gz DSNJFBXSLPLZRS-UHFFFAOYSA-N 1 3 309.435 0.412 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)CN(C)C(C)C)n1 ZINC001176972243 770264421 /nfs/dbraw/zinc/26/44/21/770264421.db2.gz SELZIMWTAXOWEO-UHFFFAOYSA-N 1 3 310.446 0.331 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001176980668 770268307 /nfs/dbraw/zinc/26/83/07/770268307.db2.gz OFZRZHAIEIAWFT-UHFFFAOYSA-N 1 3 320.437 0.722 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177330497 770410241 /nfs/dbraw/zinc/41/02/41/770410241.db2.gz BYXBXJOTYTXVJP-UHFFFAOYSA-N 1 3 322.457 0.677 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC)CC1)N(C)C ZINC001206302484 770418418 /nfs/dbraw/zinc/41/84/18/770418418.db2.gz ZQNCEBJBPHYFDY-OCCSQVGLSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCN(c2cccc(N[C@H]3COCCC34C[NH2+]C4)n2)CC1 ZINC001155470014 770512502 /nfs/dbraw/zinc/51/25/02/770512502.db2.gz PNBKTZASSJCARR-AWEZNQCLSA-N 1 3 317.437 0.624 20 0 DCADHO COC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150793297 770700895 /nfs/dbraw/zinc/70/08/95/770700895.db2.gz DWQWLLKBTGCIGQ-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO COC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150793297 770700900 /nfs/dbraw/zinc/70/09/00/770700900.db2.gz DWQWLLKBTGCIGQ-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO CN(CC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001178702632 770843498 /nfs/dbraw/zinc/84/34/98/770843498.db2.gz VLPRAGYCPIYCKH-HNNXBMFYSA-N 1 3 324.469 0.625 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715730 770846877 /nfs/dbraw/zinc/84/68/77/770846877.db2.gz GVJLRUZJJGLPKD-CFVMTHIKSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCn1cncn1)N(C)C ZINC001178816233 770884434 /nfs/dbraw/zinc/88/44/34/770884434.db2.gz YASVCJFTQXXELO-OAHLLOKOSA-N 1 3 324.473 0.885 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001179303745 770984130 /nfs/dbraw/zinc/98/41/30/770984130.db2.gz LTYMEJZOXLWCSA-CBBWQLFWSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180203939 771074136 /nfs/dbraw/zinc/07/41/36/771074136.db2.gz CXMXKTLQVRQBCP-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181651734 771326543 /nfs/dbraw/zinc/32/65/43/771326543.db2.gz GBMMMLWLTZGLSU-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001181673784 771329971 /nfs/dbraw/zinc/32/99/71/771329971.db2.gz JPRYVRVCVBODSD-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]CCCO ZINC001181746035 771340914 /nfs/dbraw/zinc/34/09/14/771340914.db2.gz LXXRPCLGCVQSRV-GDBMZVCRSA-N 1 3 311.470 0.927 20 0 DCADHO N[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C[C@H]1F ZINC001157544718 771629559 /nfs/dbraw/zinc/62/95/59/771629559.db2.gz IEQMKPHKHKPGMJ-JJAZEVLHSA-N 1 3 318.396 0.220 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001183267290 771631080 /nfs/dbraw/zinc/63/10/80/771631080.db2.gz MDYLHNQFXYKKER-CABCVRRESA-N 1 3 313.442 0.180 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001183289479 771632785 /nfs/dbraw/zinc/63/27/85/771632785.db2.gz ZPBBAVFZAVBSEA-HIFRSBDPSA-N 1 3 324.469 0.705 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC001157720263 771658370 /nfs/dbraw/zinc/65/83/70/771658370.db2.gz DTGJCZAFCQYEAC-INIZCTEOSA-N 1 3 303.406 0.435 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)NCCNCC(=O)NCC1CC1 ZINC001151361474 771706642 /nfs/dbraw/zinc/70/66/42/771706642.db2.gz IDHOCELCCXECJO-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)NCCN[C@@H]1CCCNC1=O ZINC001151361656 771707534 /nfs/dbraw/zinc/70/75/34/771707534.db2.gz LXIFIXCTXLWLTA-CQSZACIVSA-N 1 3 310.442 0.237 20 0 DCADHO [NH3+][C@@H]1CCN(C2CCN(c3ncc4c(n3)CCNC4)CC2)C1 ZINC001158258757 771748412 /nfs/dbraw/zinc/74/84/12/771748412.db2.gz IMDRPESYLFFOCE-CYBMUJFWSA-N 1 3 302.426 0.124 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)C[C@@H]3CCNC[C@H]3F)C[C@@H]2CF)CC1 ZINC001158577166 771792221 /nfs/dbraw/zinc/79/22/21/771792221.db2.gz GVRYRPKSTGXQOU-WUHRBBMRSA-N 1 3 301.381 0.860 20 0 DCADHO [NH3+]C1([C@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@H]2CF)CC1 ZINC001158582158 771792803 /nfs/dbraw/zinc/79/28/03/771792803.db2.gz LWOWMWFNZZHSER-KOLCDFICSA-N 1 3 307.373 0.204 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CCCO ZINC001184578087 771801498 /nfs/dbraw/zinc/80/14/98/771801498.db2.gz QPXLSZDLSOWKKH-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001184628563 771808759 /nfs/dbraw/zinc/80/87/59/771808759.db2.gz MATBSOCCCZCFBK-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC(C)(C)C ZINC001184876735 771840676 /nfs/dbraw/zinc/84/06/76/771840676.db2.gz LZHQEXFMRISSFS-BFHYXJOUSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)N1CCCCC1 ZINC001185401579 771911677 /nfs/dbraw/zinc/91/16/77/771911677.db2.gz TUBKXMUUJWUIEO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)C(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401576 771912047 /nfs/dbraw/zinc/91/20/47/771912047.db2.gz STVNDKMAAZJTPH-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185660071 771941424 /nfs/dbraw/zinc/94/14/24/771941424.db2.gz XFBZSDJLTXDJFG-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185660071 771941425 /nfs/dbraw/zinc/94/14/25/771941425.db2.gz XFBZSDJLTXDJFG-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854870 771968909 /nfs/dbraw/zinc/96/89/09/771968909.db2.gz VDYFPBZMDVYIEH-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)Nc2ccon2)CCC1 ZINC001159860656 771969067 /nfs/dbraw/zinc/96/90/67/771969067.db2.gz ATMBQJMPQDAJOK-UHFFFAOYSA-N 1 3 323.397 0.193 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(N)=O ZINC001159862192 771969662 /nfs/dbraw/zinc/96/96/62/771969662.db2.gz ZFPYYSQLWMKYTL-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185924444 771976012 /nfs/dbraw/zinc/97/60/12/771976012.db2.gz AVVISNQXJYWDAB-UKRRQHHQSA-N 1 3 324.425 0.176 20 0 DCADHO Cc1nnsc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932990 771980962 /nfs/dbraw/zinc/98/09/62/771980962.db2.gz XHHVZQRTRIQQOH-CYBMUJFWSA-N 1 3 311.455 0.783 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997092 771986340 /nfs/dbraw/zinc/98/63/40/771986340.db2.gz FSLOEQJRZKWAEZ-UHFFFAOYSA-N 1 3 322.457 0.687 20 0 DCADHO CN(CC(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O)C1CCC1 ZINC001159997499 771986730 /nfs/dbraw/zinc/98/67/30/771986730.db2.gz PBDWTEZQGDDOAD-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186083214 771991593 /nfs/dbraw/zinc/99/15/93/771991593.db2.gz VTHNFELVOLCVRV-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001160449017 772041382 /nfs/dbraw/zinc/04/13/82/772041382.db2.gz TTYPAQIEKWFBKQ-KGLIPLIRSA-N 1 3 310.442 0.304 20 0 DCADHO CC(C)CC(=O)NC1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160498301 772050068 /nfs/dbraw/zinc/05/00/68/772050068.db2.gz JFOUPRHJZQRABO-MRXNPFEDSA-N 1 3 324.469 0.467 20 0 DCADHO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160565494 772067063 /nfs/dbraw/zinc/06/70/63/772067063.db2.gz QSXWJGTXAGVNJT-CQSZACIVSA-N 1 3 303.366 0.080 20 0 DCADHO N[C@H](C(=O)N1CCC(c2ncccn2)CC1)C1CC[NH2+]CC1 ZINC001160588948 772072462 /nfs/dbraw/zinc/07/24/62/772072462.db2.gz KOOOJAIFFNHXLD-AWEZNQCLSA-N 1 3 303.410 0.510 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001187106162 772131510 /nfs/dbraw/zinc/13/15/10/772131510.db2.gz CNKIFMKSKNTZJC-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001187106162 772131514 /nfs/dbraw/zinc/13/15/14/772131514.db2.gz CNKIFMKSKNTZJC-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001160889464 772132751 /nfs/dbraw/zinc/13/27/51/772132751.db2.gz KCJNYFUYFMNZDY-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCc2cccnc2)C1 ZINC001187114927 772133044 /nfs/dbraw/zinc/13/30/44/772133044.db2.gz CTHMHRDUXZHEAG-OAHLLOKOSA-N 1 3 306.410 0.350 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001160890062 772133703 /nfs/dbraw/zinc/13/37/03/772133703.db2.gz UDQGEIAIACPVCN-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161029759 772154287 /nfs/dbraw/zinc/15/42/87/772154287.db2.gz QVIQTPASRAGGFK-LSDHHAIUSA-N 1 3 319.405 0.569 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001187283854 772160705 /nfs/dbraw/zinc/16/07/05/772160705.db2.gz BKTJTWUZFOIUMY-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001187290905 772161384 /nfs/dbraw/zinc/16/13/84/772161384.db2.gz BRJDQTGCPNRWJN-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187298367 772170477 /nfs/dbraw/zinc/17/04/77/772170477.db2.gz FCTWYOVDMXCKCN-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187298367 772170482 /nfs/dbraw/zinc/17/04/82/772170482.db2.gz FCTWYOVDMXCKCN-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)(C)CN(C(=O)[C@H](N)Cc1c[nH]cn1)C1CC[NH2+]CC1 ZINC001161253795 772192024 /nfs/dbraw/zinc/19/20/24/772192024.db2.gz ZPVDHHNRLPOHCU-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CC(C)(C)CN(C(=O)[C@H](N)Cc1cnc[nH]1)C1CC[NH2+]CC1 ZINC001161253795 772192025 /nfs/dbraw/zinc/19/20/25/772192025.db2.gz ZPVDHHNRLPOHCU-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN[C@H](C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1)c1ccccc1 ZINC001161377233 772213510 /nfs/dbraw/zinc/21/35/10/772213510.db2.gz GGLAMXVLNFJYOR-SJORKVTESA-N 1 3 316.449 0.971 20 0 DCADHO CO[C@@H]1CN(C(=O)[C@]2(N)CCc3cc(F)ccc3C2)C[C@@H]1[NH3+] ZINC001161494106 772234875 /nfs/dbraw/zinc/23/48/75/772234875.db2.gz XZAFOZWSUAWHCD-LZWOXQAQSA-N 1 3 307.369 0.196 20 0 DCADHO CCOC(=O)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C[C@@H]1C ZINC001161499572 772235313 /nfs/dbraw/zinc/23/53/13/772235313.db2.gz LFVSXNYKRAPNLI-MELADBBJSA-N 1 3 323.437 0.233 20 0 DCADHO C[C@](N)(CO)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161580306 772248555 /nfs/dbraw/zinc/24/85/55/772248555.db2.gz VBTRRXJNQUFKHN-INIZCTEOSA-N 1 3 303.406 0.360 20 0 DCADHO CO[C@@H](CN)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161584837 772249244 /nfs/dbraw/zinc/24/92/44/772249244.db2.gz PYWCRIYGPADKFW-HNNXBMFYSA-N 1 3 303.406 0.624 20 0 DCADHO O=C(CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)NC1CC1 ZINC001188106396 772266321 /nfs/dbraw/zinc/26/63/21/772266321.db2.gz JNSJGGJPAHNCPH-OAHLLOKOSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001188158758 772277267 /nfs/dbraw/zinc/27/72/67/772277267.db2.gz XHWVWGNFAFVROB-ZIAGYGMSSA-N 1 3 320.441 0.296 20 0 DCADHO CC1CCN(CC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)CC1 ZINC001206679316 772430850 /nfs/dbraw/zinc/43/08/50/772430850.db2.gz DAOOAFRRIUMIKF-UHFFFAOYSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H](O)C[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679870 772435912 /nfs/dbraw/zinc/43/59/12/772435912.db2.gz SNCUVDALTIYPLP-OAHLLOKOSA-N 1 3 311.470 0.927 20 0 DCADHO COC(=O)Cc1cc(NCC[C@@H]2CCOC23C[NH2+]C3)ccn1 ZINC001163093779 772460681 /nfs/dbraw/zinc/46/06/81/772460681.db2.gz CMMAWTXITBRPOH-GFCCVEGCSA-N 1 3 305.378 0.978 20 0 DCADHO COC(=O)Cc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccn1 ZINC001163174876 772477217 /nfs/dbraw/zinc/47/72/17/772477217.db2.gz AHXVZTDDNMLFRU-KCPJHIHWSA-N 1 3 305.378 0.834 20 0 DCADHO c1ncc(OCCN2CCCC2)nc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163193157 772479968 /nfs/dbraw/zinc/47/99/68/772479968.db2.gz MSUIQBCMLBMGRB-CZUORRHYSA-N 1 3 319.409 0.494 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001205462476 772519782 /nfs/dbraw/zinc/51/97/82/772519782.db2.gz ZFWPGRYABXABQZ-RISCZKNCSA-N 1 3 310.442 0.029 20 0 DCADHO CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190222004 772602905 /nfs/dbraw/zinc/60/29/05/772602905.db2.gz WLELSKHWSOLMAR-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165484261 772742519 /nfs/dbraw/zinc/74/25/19/772742519.db2.gz BVCNOQWZZPUYKB-OCCSQVGLSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1)C(N)=O ZINC001165718692 772757599 /nfs/dbraw/zinc/75/75/99/772757599.db2.gz OJCPCVBOLVSWHO-CHWSQXEVSA-N 1 3 312.458 0.467 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001165809875 772764288 /nfs/dbraw/zinc/76/42/88/772764288.db2.gz QXWKJCXWTHPQHP-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634451 772831938 /nfs/dbraw/zinc/83/19/38/772831938.db2.gz SEYQJYDCHAJGBB-CYBMUJFWSA-N 1 3 322.457 0.687 20 0 DCADHO COc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)nn1 ZINC001166668357 772837397 /nfs/dbraw/zinc/83/73/97/772837397.db2.gz ZRUUBSTXHNAFLE-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1cnccn1 ZINC001166676926 772838476 /nfs/dbraw/zinc/83/84/76/772838476.db2.gz DZEIECQBCLCADD-UONOGXRCSA-N 1 3 305.426 0.975 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677773 772839459 /nfs/dbraw/zinc/83/94/59/772839459.db2.gz MVBGIRDWXLCTAZ-AWEZNQCLSA-N 1 3 312.458 0.196 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CCCO)C1 ZINC001166687205 772841120 /nfs/dbraw/zinc/84/11/20/772841120.db2.gz INGDAISNLLBDKJ-OAHLLOKOSA-N 1 3 303.422 0.677 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ncn1 ZINC001166690469 772841570 /nfs/dbraw/zinc/84/15/70/772841570.db2.gz BFGCGBMKYBABTB-DOMZBBRYSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ncn1 ZINC001166690469 772841575 /nfs/dbraw/zinc/84/15/75/772841575.db2.gz BFGCGBMKYBABTB-DOMZBBRYSA-N 1 3 305.426 0.579 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166692835 772841873 /nfs/dbraw/zinc/84/18/73/772841873.db2.gz QLGJAVKNGOHIMD-BBRMVZONSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166692835 772841877 /nfs/dbraw/zinc/84/18/77/772841877.db2.gz QLGJAVKNGOHIMD-BBRMVZONSA-N 1 3 319.453 0.623 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166707926 772845292 /nfs/dbraw/zinc/84/52/92/772845292.db2.gz KLFWDXCACFCEJF-UKRRQHHQSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166707926 772845293 /nfs/dbraw/zinc/84/52/93/772845293.db2.gz KLFWDXCACFCEJF-UKRRQHHQSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166707925 772845306 /nfs/dbraw/zinc/84/53/06/772845306.db2.gz KLFWDXCACFCEJF-HIFRSBDPSA-N 1 3 320.437 0.884 20 0 DCADHO COc1ncccc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166707925 772845308 /nfs/dbraw/zinc/84/53/08/772845308.db2.gz KLFWDXCACFCEJF-HIFRSBDPSA-N 1 3 320.437 0.884 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744009 772855056 /nfs/dbraw/zinc/85/50/56/772855056.db2.gz COHDSIMTXUURIO-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)NC(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765297 772858110 /nfs/dbraw/zinc/85/81/10/772858110.db2.gz WUMPJZGFVWGDIU-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(C)C)N(C)C ZINC001166857243 772871345 /nfs/dbraw/zinc/87/13/45/772871345.db2.gz ABNRWQAOOIDDQP-KGLIPLIRSA-N 1 3 314.474 0.583 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203514433 772910249 /nfs/dbraw/zinc/91/02/49/772910249.db2.gz KZDFDQJSSNNYFG-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203514432 772910495 /nfs/dbraw/zinc/91/04/95/772910495.db2.gz KZDFDQJSSNNYFG-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC001192948949 772977523 /nfs/dbraw/zinc/97/75/23/772977523.db2.gz YXQSJHWRKVEUOM-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC001192948949 772977526 /nfs/dbraw/zinc/97/75/26/772977526.db2.gz YXQSJHWRKVEUOM-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCOCCOC)C1 ZINC001192970683 772989629 /nfs/dbraw/zinc/98/96/29/772989629.db2.gz XBQXGORFCRTRPA-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCOCCOC)C1 ZINC001192970683 772989630 /nfs/dbraw/zinc/98/96/30/772989630.db2.gz XBQXGORFCRTRPA-HNNXBMFYSA-N 1 3 315.458 0.524 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+]CCn2cncn2)CC1)N(C)C ZINC001205516059 772997626 /nfs/dbraw/zinc/99/76/26/772997626.db2.gz MSFGNWLBRJMOMY-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)CN(CC)CC)CC1)C(N)=O ZINC001206653602 773097469 /nfs/dbraw/zinc/09/74/69/773097469.db2.gz IKGLILLFOSYZRQ-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001206890320 773121863 /nfs/dbraw/zinc/12/18/63/773121863.db2.gz LOWQIVSMYOMWLT-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCCCCN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399669 773186506 /nfs/dbraw/zinc/18/65/06/773186506.db2.gz PDAXZQLMYBFHLQ-HUUCEWRRSA-N 1 3 309.454 0.966 20 0 DCADHO c1ncc(O[C@H]2C[C@@H]3CN(CC4CC[NH2+]CC4)CCN3C2)cn1 ZINC001207435347 773205534 /nfs/dbraw/zinc/20/55/34/773205534.db2.gz MCSBQNSWWWCOCC-CVEARBPZSA-N 1 3 317.437 0.614 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207688170 773270054 /nfs/dbraw/zinc/27/00/54/773270054.db2.gz MOXKPVUJDWXQPC-KGLIPLIRSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001208279283 773422950 /nfs/dbraw/zinc/42/29/50/773422950.db2.gz MPJJTNOPMYGBKR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001208279283 773422956 /nfs/dbraw/zinc/42/29/56/773422956.db2.gz MPJJTNOPMYGBKR-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328459 773434252 /nfs/dbraw/zinc/43/42/52/773434252.db2.gz DRPOJKIHHYGFNQ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208330879 773435675 /nfs/dbraw/zinc/43/56/75/773435675.db2.gz HIARGJBGMNYYNO-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208338367 773436799 /nfs/dbraw/zinc/43/67/99/773436799.db2.gz XMRYAYBDBIXKQM-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001208414851 773456565 /nfs/dbraw/zinc/45/65/65/773456565.db2.gz YUUSHBOPJKZJNJ-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208454529 773467013 /nfs/dbraw/zinc/46/70/13/773467013.db2.gz XJHCDKVXVOIFHZ-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208454529 773467017 /nfs/dbraw/zinc/46/70/17/773467017.db2.gz XJHCDKVXVOIFHZ-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+]1CCCC1 ZINC001152237616 773470960 /nfs/dbraw/zinc/47/09/60/773470960.db2.gz RTLAMYJSEKAKHB-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccnc1OC(F)F ZINC001195737410 773473136 /nfs/dbraw/zinc/47/31/36/773473136.db2.gz RPYXJWBSGMAZRL-UHFFFAOYSA-N 1 3 301.297 0.758 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001152238185 773478226 /nfs/dbraw/zinc/47/82/26/773478226.db2.gz ZYLATMAICSTNKL-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209277746 773581565 /nfs/dbraw/zinc/58/15/65/773581565.db2.gz KRTAUVJSWPMCMK-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001209325305 773592582 /nfs/dbraw/zinc/59/25/82/773592582.db2.gz YJLUTQXJPLKAIF-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408745 773602844 /nfs/dbraw/zinc/60/28/44/773602844.db2.gz XACHEFVHEMYXCQ-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408730 773603214 /nfs/dbraw/zinc/60/32/14/773603214.db2.gz WWGYAZCMMJDSNN-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](NC(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001209444045 773603822 /nfs/dbraw/zinc/60/38/22/773603822.db2.gz BXTGQVOPVKAGLG-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445106 773605155 /nfs/dbraw/zinc/60/51/55/773605155.db2.gz KXJBFBNOZLEBNZ-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCOCCOC)C1)N(C)C ZINC001209669671 773632845 /nfs/dbraw/zinc/63/28/45/773632845.db2.gz SIIVYCOKFHFALI-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001209835817 773652570 /nfs/dbraw/zinc/65/25/70/773652570.db2.gz FVRQDSYYXTXNTF-CQSZACIVSA-N 1 3 306.410 0.959 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001210810628 773741596 /nfs/dbraw/zinc/74/15/96/773741596.db2.gz BHUZZASSJDXNBF-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211065010 773765247 /nfs/dbraw/zinc/76/52/47/773765247.db2.gz RJOXOWNIKDOORS-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065010 773765250 /nfs/dbraw/zinc/76/52/50/773765250.db2.gz RJOXOWNIKDOORS-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229399 773783306 /nfs/dbraw/zinc/78/33/06/773783306.db2.gz UEUPCYSDULZRNF-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)C(N)=O ZINC001211241087 773784135 /nfs/dbraw/zinc/78/41/35/773784135.db2.gz RVVJBEODRXHOMA-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001211277727 773789237 /nfs/dbraw/zinc/78/92/37/773789237.db2.gz NXHMZICYKOUNOX-MRXNPFEDSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001211283256 773789986 /nfs/dbraw/zinc/78/99/86/773789986.db2.gz GJDPHJYFMYIAHQ-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001211282873 773790113 /nfs/dbraw/zinc/79/01/13/773790113.db2.gz DUXKBFBGWLKJOA-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](F)CCN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832023 773803618 /nfs/dbraw/zinc/80/36/18/773803618.db2.gz HBNKZHXBDLWJMG-CQSZACIVSA-N 1 3 303.422 0.847 20 0 DCADHO C[C@H](O)CCCN1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197825147 773813947 /nfs/dbraw/zinc/81/39/47/773813947.db2.gz ZLLOFZYANLWIJZ-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001152458965 773935975 /nfs/dbraw/zinc/93/59/75/773935975.db2.gz VDGKEOROVGQIEX-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023393 774013518 /nfs/dbraw/zinc/01/35/18/774013518.db2.gz HPEOFIIKDCTCRO-RBSFLKMASA-N 1 3 315.433 0.772 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861591 774019568 /nfs/dbraw/zinc/01/95/68/774019568.db2.gz YRENMZHJEIARNA-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC)C2)C1 ZINC001215380880 774066346 /nfs/dbraw/zinc/06/63/46/774066346.db2.gz FFMVXAGYQSIYOE-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC)C2)C1 ZINC001215380880 774066353 /nfs/dbraw/zinc/06/63/53/774066353.db2.gz FFMVXAGYQSIYOE-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001199369996 774098223 /nfs/dbraw/zinc/09/82/23/774098223.db2.gz GTFZSKMNHLHIQP-HZPDHXFCSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[NH2+]C[C@@H]2F)c1 ZINC001218002127 774208979 /nfs/dbraw/zinc/20/89/79/774208979.db2.gz LXVFOVMNTMZIFD-COPLHBTASA-N 1 3 311.357 0.039 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)NC1CC1 ZINC001199827046 774218565 /nfs/dbraw/zinc/21/85/65/774218565.db2.gz RMQWRJZVFXLXPK-SWLSCSKDSA-N 1 3 322.453 0.328 20 0 DCADHO NC(=O)[C@@H](N)Cc1ccc(OC2CC3(C2)CCC[NH2+]C3)cc1 ZINC001218254754 774219127 /nfs/dbraw/zinc/21/91/27/774219127.db2.gz HBXSVWSSOZXMQM-CKDBGZEDSA-N 1 3 303.406 0.953 20 0 DCADHO Cc1cccc2nc(NC(=O)[C@H](N)CN3CCC([NH3+])CC3)[nH]c21 ZINC001218502990 774230629 /nfs/dbraw/zinc/23/06/29/774230629.db2.gz VWUPGWKCDLMZBG-GFCCVEGCSA-N 1 3 316.409 0.560 20 0 DCADHO Cc1nc2sccc2c(NC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001218518953 774234972 /nfs/dbraw/zinc/23/49/72/774234972.db2.gz WYIFJDJDOHMCBR-SNVBAGLBSA-N 1 3 303.391 0.747 20 0 DCADHO N[C@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)C1CCOCC1 ZINC001218533215 774239886 /nfs/dbraw/zinc/23/98/86/774239886.db2.gz LBIZDUOPFIJTOI-SKDRFNHKSA-N 1 3 310.423 0.652 20 0 DCADHO COCCCN(C(=O)[C@H](N)C1CC[NH2+]CC1)c1ncccc1N ZINC001218560961 774247457 /nfs/dbraw/zinc/24/74/57/774247457.db2.gz NIYQBLYTANWGTO-CQSZACIVSA-N 1 3 321.425 0.360 20 0 DCADHO COC(=O)c1cncc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n1 ZINC001218579468 774254514 /nfs/dbraw/zinc/25/45/14/774254514.db2.gz FOPIKKKDIVYWBG-NSHDSACASA-N 1 3 323.397 0.697 20 0 DCADHO Cn1ncc2cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cnc21 ZINC001218614106 774262697 /nfs/dbraw/zinc/26/26/97/774262697.db2.gz CJVGHYUHODMRHX-ZDUSSCGKSA-N 1 3 304.398 0.966 20 0 DCADHO CCOc1cc(N)n(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(=N)n1 ZINC001218680743 774279606 /nfs/dbraw/zinc/27/96/06/774279606.db2.gz IOXQQGJOYSDMLN-NSHDSACASA-N 1 3 324.429 0.479 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)Nc2cncc(C[NH3+])c2)cn1 ZINC001218704657 774284234 /nfs/dbraw/zinc/28/42/34/774284234.db2.gz ZMXBUSPZJIUMLO-ZDUSSCGKSA-N 1 3 301.350 0.973 20 0 DCADHO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1CCC2(CNC2)O1 ZINC001218727652 774290255 /nfs/dbraw/zinc/29/02/55/774290255.db2.gz ZOCLNGFVKUKJDF-CHWSQXEVSA-N 1 3 318.377 0.282 20 0 DCADHO O=C(Nc1ccnn1CC(F)(F)F)[C@@H]1C[NH2+]CC12CNC2 ZINC001218751109 774296887 /nfs/dbraw/zinc/29/68/87/774296887.db2.gz BIIUDTZQEZSWCW-QMMMGPOBSA-N 1 3 303.288 0.193 20 0 DCADHO O=C(Nc1cncc(OC(F)(F)F)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218794664 774304511 /nfs/dbraw/zinc/30/45/11/774304511.db2.gz TUUGBUGDTIHMIQ-SNVBAGLBSA-N 1 3 316.283 0.728 20 0 DCADHO N[C@H](C(=O)Nc1ccc(-n2ccnn2)cc1)C1CC[NH2+]CC1 ZINC001218821391 774311243 /nfs/dbraw/zinc/31/12/43/774311243.db2.gz AQCCFIGYXPIABE-AWEZNQCLSA-N 1 3 300.366 0.533 20 0 DCADHO N[C@@H](C(=O)Nc1ccccc1C(=O)NC1CC1)C1CC[NH2+]CC1 ZINC001218885119 774321428 /nfs/dbraw/zinc/32/14/28/774321428.db2.gz FGDGMTIGPQBKQZ-OAHLLOKOSA-N 1 3 316.405 0.844 20 0 DCADHO COC(=O)c1c(O)cccc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218987365 774341548 /nfs/dbraw/zinc/34/15/48/774341548.db2.gz GBTMGTRCCNYOSE-CYBMUJFWSA-N 1 3 307.350 0.444 20 0 DCADHO NC(=[NH2+])NCCCCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219028009 774349713 /nfs/dbraw/zinc/34/97/13/774349713.db2.gz LHRVGPKETJTJIS-UHFFFAOYSA-N 1 3 305.382 0.760 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCCF)C2)CC[N@@H+]1C ZINC001200546388 774366176 /nfs/dbraw/zinc/36/61/76/774366176.db2.gz CSRJAYPQNQPTTB-MGPQQGTHSA-N 1 3 301.406 0.503 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCCF)C2)CC[N@H+]1C ZINC001200546388 774366184 /nfs/dbraw/zinc/36/61/84/774366184.db2.gz CSRJAYPQNQPTTB-MGPQQGTHSA-N 1 3 301.406 0.503 20 0 DCADHO N=c1c2cc(N)ccc2on1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219136514 774383807 /nfs/dbraw/zinc/38/38/07/774383807.db2.gz HELJRENVKSFFQS-RFAUZJTJSA-N 1 3 301.350 0.135 20 0 DCADHO CN1c2cc(NC(=O)[C@H](N)CCC[NH3+])ccc2C(C)(C)C1=O ZINC001219328071 774450061 /nfs/dbraw/zinc/45/00/61/774450061.db2.gz CLJVDDKMXLQGFF-GFCCVEGCSA-N 1 3 304.394 0.945 20 0 DCADHO CCNC(=O)C[NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001201321761 774487379 /nfs/dbraw/zinc/48/73/79/774487379.db2.gz VQIZCDBVVDKSEB-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001201321832 774487586 /nfs/dbraw/zinc/48/75/86/774487586.db2.gz WZYDAQLQZQYPFR-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201494554 774517055 /nfs/dbraw/zinc/51/70/55/774517055.db2.gz VMRZQTWHXXJJFG-OCCSQVGLSA-N 1 3 310.398 0.194 20 0 DCADHO CC(=O)NCCCC[C@H](N)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614272 774557998 /nfs/dbraw/zinc/55/79/98/774557998.db2.gz WEHKGZOSQYMNCC-CMPLNLGQSA-N 1 3 324.347 0.031 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1O ZINC001219724697 774593042 /nfs/dbraw/zinc/59/30/42/774593042.db2.gz XSMLBFGPXIKWCA-MJBXVCDLSA-N 1 3 303.422 0.484 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001219724697 774593047 /nfs/dbraw/zinc/59/30/47/774593047.db2.gz XSMLBFGPXIKWCA-MJBXVCDLSA-N 1 3 303.422 0.484 20 0 DCADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1csc([C@@H]2CCCN2)n1 ZINC001219739559 774595500 /nfs/dbraw/zinc/59/55/00/774595500.db2.gz RFYAEGBCNMGYMD-QWRGUYRKSA-N 1 3 322.434 0.676 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)NC[C@]2(F)CCC[NH2+]C2)cn1 ZINC001219767995 774601873 /nfs/dbraw/zinc/60/18/73/774601873.db2.gz JIEATPOOSBPINZ-WFASDCNBSA-N 1 3 310.373 0.688 20 0 DCADHO NCc1ccc(C(=O)NCC[C@H]2C[NH2+]Cc3cccn3C2)cn1 ZINC001219792057 774609336 /nfs/dbraw/zinc/60/93/36/774609336.db2.gz YRNYWYGQUUGMCC-ZDUSSCGKSA-N 1 3 313.405 0.881 20 0 DCADHO CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202162869 774609556 /nfs/dbraw/zinc/60/95/56/774609556.db2.gz AUVGUQRBVNINPD-LSDHHAIUSA-N 1 3 315.458 0.569 20 0 DCADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1csc([C@@H]2CCCN2)n1 ZINC001219831770 774623536 /nfs/dbraw/zinc/62/35/36/774623536.db2.gz XNMRGJSJGKSBPW-DCQANWLSSA-N 1 3 322.434 0.674 20 0 DCADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1csc([C@H]2CCCN2)n1 ZINC001219856699 774630343 /nfs/dbraw/zinc/63/03/43/774630343.db2.gz XOOCFXCYTADMJI-MWGHHZFTSA-N 1 3 308.407 0.284 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)C[C@@H]1O ZINC001219903043 774641554 /nfs/dbraw/zinc/64/15/54/774641554.db2.gz QNIGMLMJHLVLSV-CVSAEHQPSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@@H]1O ZINC001219903043 774641558 /nfs/dbraw/zinc/64/15/58/774641558.db2.gz QNIGMLMJHLVLSV-CVSAEHQPSA-N 1 3 311.470 0.924 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@@H]1O ZINC001219903043 774641564 /nfs/dbraw/zinc/64/15/64/774641564.db2.gz QNIGMLMJHLVLSV-CVSAEHQPSA-N 1 3 311.470 0.924 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@@H]1O ZINC001219903043 774641569 /nfs/dbraw/zinc/64/15/69/774641569.db2.gz QNIGMLMJHLVLSV-CVSAEHQPSA-N 1 3 311.470 0.924 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)CC[S@@](C)=O)c1 ZINC001219943375 774652874 /nfs/dbraw/zinc/65/28/74/774652874.db2.gz GHWRIDKLZQGCRQ-LHSJRXKWSA-N 1 3 311.451 0.460 20 0 DCADHO Cc1ccc2c(CCNC(=O)[C@@H]3C[NH2+]CC34CNC4)c[nH]c2c1 ZINC001220073846 774688192 /nfs/dbraw/zinc/68/81/92/774688192.db2.gz MJDPOEURWDKNII-HNNXBMFYSA-N 1 3 312.417 0.944 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@@H]1O ZINC001220233919 774741244 /nfs/dbraw/zinc/74/12/44/774741244.db2.gz MBUJFEBOVCZBCV-SJORKVTESA-N 1 3 319.449 0.732 20 0 DCADHO Cc1nc[nH]c1CSCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220256709 774747916 /nfs/dbraw/zinc/74/79/16/774747916.db2.gz BXNBBCWUBQCWPS-IUODEOHRSA-N 1 3 323.466 0.267 20 0 DCADHO Cc1ccc(CCN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001220274924 774753518 /nfs/dbraw/zinc/75/35/18/774753518.db2.gz JEGKEKDZFTXDDD-SJORKVTESA-N 1 3 319.449 0.651 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220501630 774828611 /nfs/dbraw/zinc/82/86/11/774828611.db2.gz RURDEGBUVSSMLW-AEGPPILISA-N 1 3 320.437 0.681 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]C[C@H]3[C@@H]2C3(C)C)CCNC1 ZINC001220523343 774836114 /nfs/dbraw/zinc/83/61/14/774836114.db2.gz NNISLOLHCLYZGT-DRZSPHRISA-N 1 3 307.394 0.157 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H](C)[C@@H]2CC[NH2+][C@@H](C)C2)CCNC1 ZINC001220523091 774836199 /nfs/dbraw/zinc/83/61/99/774836199.db2.gz JCPNNAHXINTVPC-YNEHKIRRSA-N 1 3 323.437 0.937 20 0 DCADHO COc1cc(OC)cc([C@H](C)NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001220573673 774849171 /nfs/dbraw/zinc/84/91/71/774849171.db2.gz SNYJDJZJTBUKQN-XHDPSFHLSA-N 1 3 319.405 0.690 20 0 DCADHO CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1)OC ZINC001114413602 774849748 /nfs/dbraw/zinc/84/97/48/774849748.db2.gz CLIIIPRYAFLZCU-AIANPOQGSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1)OC ZINC001114413602 774849760 /nfs/dbraw/zinc/84/97/60/774849760.db2.gz CLIIIPRYAFLZCU-AIANPOQGSA-N 1 3 309.454 0.942 20 0 DCADHO COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220628178 774869811 /nfs/dbraw/zinc/86/98/11/774869811.db2.gz UCPVGYSSMRSTJQ-XJKSGUPXSA-N 1 3 307.394 0.343 20 0 DCADHO Cn1nc(CNC(=O)[C@@H](N)CSCC[NH3+])c2ccccc21 ZINC001220632228 774871258 /nfs/dbraw/zinc/87/12/58/774871258.db2.gz OROQENYAKLBWOT-NSHDSACASA-N 1 3 307.423 0.209 20 0 DCADHO C[C@](CO)(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001220712292 774899535 /nfs/dbraw/zinc/89/95/35/774899535.db2.gz YSBWRDOTZOSYDQ-DOTOQJQBSA-N 1 3 317.433 0.885 20 0 DCADHO C[C@](CO)(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001220712292 774899544 /nfs/dbraw/zinc/89/95/44/774899544.db2.gz YSBWRDOTZOSYDQ-DOTOQJQBSA-N 1 3 317.433 0.885 20 0 DCADHO O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1C[C@@H](F)CCN1 ZINC001220789090 774916508 /nfs/dbraw/zinc/91/65/08/774916508.db2.gz JDQBKTFNVFBVOT-QPSCCSFWSA-N 1 3 306.385 0.939 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCN1CCC(F)(F)C1 ZINC001220807788 774920673 /nfs/dbraw/zinc/92/06/73/774920673.db2.gz IDPOISVXKVMRKF-LBPRGKRZSA-N 1 3 306.401 0.503 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1ccc(C2OCCO2)cc1 ZINC001220838645 774932395 /nfs/dbraw/zinc/93/23/95/774932395.db2.gz YHJIVDGTBKAGMU-AWEZNQCLSA-N 1 3 307.394 0.805 20 0 DCADHO COc1cccc(C(C)(C)CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001220996541 774973594 /nfs/dbraw/zinc/97/35/94/774973594.db2.gz ALCFXKLRXSACEL-LBPRGKRZSA-N 1 3 318.421 0.293 20 0 DCADHO O=C(N[C@H](c1cncc(F)c1)C1CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221049086 774985457 /nfs/dbraw/zinc/98/54/57/774985457.db2.gz LXPZZZFRVCAMQU-KBPBESRZSA-N 1 3 304.369 0.597 20 0 DCADHO CN1CCC[C@](C)(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001221241659 775038785 /nfs/dbraw/zinc/03/87/85/775038785.db2.gz WMDXFAGZHCKYPE-INMHGKMJSA-N 1 3 308.470 0.661 20 0 DCADHO N=C(NC(=O)[C@@H](N)C1CC[NH2+]CC1)c1cnc2ccc(F)cn21 ZINC001221322715 775068180 /nfs/dbraw/zinc/06/81/80/775068180.db2.gz KTOMYXTZYJKYKX-ZDUSSCGKSA-N 1 3 318.356 0.242 20 0 DCADHO O=C(NC[C@@H](O)c1cc2ccccc2o1)[C@H]1C[NH2+]CC12CNC2 ZINC001221331086 775070803 /nfs/dbraw/zinc/07/08/03/775070803.db2.gz LQMMNTKKRPQWPL-CHWSQXEVSA-N 1 3 315.373 0.391 20 0 DCADHO O=C(N[C@@H]1CCc2c1c(F)ccc2F)[C@@H]1C[NH2+]CC12CNC2 ZINC001221364591 775077313 /nfs/dbraw/zinc/07/73/13/775077313.db2.gz WQYVQABUMJYFKI-GXFFZTMASA-N 1 3 307.344 0.877 20 0 DCADHO CC1(C)[C@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C[C@@H]1[NH3+] ZINC001221391431 775083495 /nfs/dbraw/zinc/08/34/95/775083495.db2.gz NEZPBPVFWSKEJI-ZFWWWQNUSA-N 1 3 304.438 0.928 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(C3=CC=C(N)CN3)CC2)C1 ZINC001221391961 775083831 /nfs/dbraw/zinc/08/38/31/775083831.db2.gz PYZOWZATXKUYMZ-MLGOLLRUSA-N 1 3 304.438 0.943 20 0 DCADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](N)Cc2c[nH]cn2)c1 ZINC001221403627 775087969 /nfs/dbraw/zinc/08/79/69/775087969.db2.gz CZMPXLNNAPDSRW-ZIAGYGMSSA-N 1 3 303.366 0.104 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)Cc2cncn2C)[C@@H](C)C1 ZINC001221406321 775090022 /nfs/dbraw/zinc/09/00/22/775090022.db2.gz FWAMBIJGSNYUQW-AEGPPILISA-N 1 3 307.442 0.525 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)Cc2cncn2C)[C@@H](C)C1 ZINC001221406321 775090028 /nfs/dbraw/zinc/09/00/28/775090028.db2.gz FWAMBIJGSNYUQW-AEGPPILISA-N 1 3 307.442 0.525 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222367630 775334162 /nfs/dbraw/zinc/33/41/62/775334162.db2.gz LZONZWQJDHVWMP-HNNXBMFYSA-N 1 3 308.451 0.743 20 0 DCADHO c1ccc(N2CC[NH2+]CC2)c(CN2CCOC3(CNC3)C2)c1 ZINC001222447252 775353476 /nfs/dbraw/zinc/35/34/76/775353476.db2.gz NTQXRUBXTBCNPE-UHFFFAOYSA-N 1 3 302.422 0.270 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515718 775376597 /nfs/dbraw/zinc/37/65/97/775376597.db2.gz YWDPXHHOQVZZBQ-NEPJUHHUSA-N 1 3 316.396 0.031 20 0 DCADHO FC(F)(F)[C@@H]1N(C[C@H]2CNCCO2)CCC12CC[NH2+]CC2 ZINC001222644202 775405890 /nfs/dbraw/zinc/40/58/90/775405890.db2.gz ZQTJCJHHFRHZIA-VXGBXAGGSA-N 1 3 307.360 0.981 20 0 DCADHO CC(=O)N1CCC(CN2CC[NH2+]C[C@]3(CCCCN3)C2)CC1 ZINC001222670007 775410475 /nfs/dbraw/zinc/41/04/75/775410475.db2.gz ZXBLZJWLDUADET-QGZVFWFLSA-N 1 3 308.470 0.662 20 0 DCADHO CC[C@H](C(=O)NCC1CC[NH+](CCn2cncn2)CC1)N(C)C ZINC001223598095 775504080 /nfs/dbraw/zinc/50/40/80/775504080.db2.gz VVNHRGRQGFPRJO-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO C[NH+](C)CCCC(=O)NCC1CCN(CCn2cncn2)CC1 ZINC001224273397 775551919 /nfs/dbraw/zinc/55/19/19/775551919.db2.gz XEHRLCXQUKAESB-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224347237 775562300 /nfs/dbraw/zinc/56/23/00/775562300.db2.gz YPWGGUSOSMTEQH-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225080440 775639709 /nfs/dbraw/zinc/63/97/09/775639709.db2.gz QDRFVVIIQDHLGI-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225080440 775639715 /nfs/dbraw/zinc/63/97/15/775639715.db2.gz QDRFVVIIQDHLGI-AWEZNQCLSA-N 1 3 312.458 0.420 20 0 DCADHO COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662064 776015947 /nfs/dbraw/zinc/01/59/47/776015947.db2.gz BYMLLEBFWFKUOX-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662064 776015951 /nfs/dbraw/zinc/01/59/51/776015951.db2.gz BYMLLEBFWFKUOX-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO C[NH+](C)CC1(C(=O)NC2CCN(CCn3cccn3)CC2)CC1 ZINC001228865083 776131622 /nfs/dbraw/zinc/13/16/22/776131622.db2.gz RWQKMQSJRNHLDZ-UHFFFAOYSA-N 1 3 319.453 0.806 20 0 DCADHO Cn1cc(CCN2CCC(NC(=O)CCC[NH+](C)C)CC2)cn1 ZINC001228896428 776135610 /nfs/dbraw/zinc/13/56/10/776135610.db2.gz ZVHDBKAOGMYRPW-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001229503353 776195957 /nfs/dbraw/zinc/19/59/57/776195957.db2.gz HLMGPFUHCDTVMZ-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001229503353 776195966 /nfs/dbraw/zinc/19/59/66/776195966.db2.gz HLMGPFUHCDTVMZ-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114831791 776198428 /nfs/dbraw/zinc/19/84/28/776198428.db2.gz FVBQEHCNZVFJRW-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001114831791 776198432 /nfs/dbraw/zinc/19/84/32/776198432.db2.gz FVBQEHCNZVFJRW-AIANPOQGSA-N 1 3 309.454 0.944 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(CCOCCOC)CC1 ZINC001229895960 776235584 /nfs/dbraw/zinc/23/55/84/776235584.db2.gz RGNCXRFKQJKNDT-UHFFFAOYSA-N 1 3 315.458 0.572 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(CCOCCOC)CC1 ZINC001229895960 776235590 /nfs/dbraw/zinc/23/55/90/776235590.db2.gz RGNCXRFKQJKNDT-UHFFFAOYSA-N 1 3 315.458 0.572 20 0 DCADHO COCCOCCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262946 776270631 /nfs/dbraw/zinc/27/06/31/776270631.db2.gz YRTMJKMGPHMLFV-AWEZNQCLSA-N 1 3 313.442 0.182 20 0 DCADHO COCCOCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262946 776270635 /nfs/dbraw/zinc/27/06/35/776270635.db2.gz YRTMJKMGPHMLFV-AWEZNQCLSA-N 1 3 313.442 0.182 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001230618012 776354488 /nfs/dbraw/zinc/35/44/88/776354488.db2.gz IKSMRSPXDDBEDH-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001230618012 776354501 /nfs/dbraw/zinc/35/45/01/776354501.db2.gz IKSMRSPXDDBEDH-HNNXBMFYSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358680 777225921 /nfs/dbraw/zinc/22/59/21/777225921.db2.gz PRMVZNQOYQYDIO-PBHICJAKSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358680 777225926 /nfs/dbraw/zinc/22/59/26/777225926.db2.gz PRMVZNQOYQYDIO-PBHICJAKSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001317652057 945145841 /nfs/dbraw/zinc/14/58/41/945145841.db2.gz CQLLYMNDVTUETA-CQSZACIVSA-N 1 3 314.474 0.535 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317656356 945147312 /nfs/dbraw/zinc/14/73/12/945147312.db2.gz YEMGAPVDDFIWJG-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001317656355 945148491 /nfs/dbraw/zinc/14/84/91/945148491.db2.gz YEMGAPVDDFIWJG-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC[NH2+]CCOCC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001266846853 939251876 /nfs/dbraw/zinc/25/18/76/939251876.db2.gz JWHZUVGZJQNNTF-UHFFFAOYSA-N 1 3 308.304 0.579 20 0 DCADHO CN(CC[NH2+]C[C@@H](O)CC(F)(F)F)C(=O)Cc1c[nH]cn1 ZINC001266847184 939252029 /nfs/dbraw/zinc/25/20/29/939252029.db2.gz XUDMCDRJWCBPEW-JTQLQIEISA-N 1 3 308.304 0.314 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001267022127 939313333 /nfs/dbraw/zinc/31/33/33/939313333.db2.gz BBYKKRRSAMACTG-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408594644 939410831 /nfs/dbraw/zinc/41/08/31/939410831.db2.gz AWVNYCSZKNOFKZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408594644 939410833 /nfs/dbraw/zinc/41/08/33/939410833.db2.gz AWVNYCSZKNOFKZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[NH2+]CCO[C@@H]1CC1(F)F)C(=O)[C@@H]1CCCN1C ZINC001267355260 939432791 /nfs/dbraw/zinc/43/27/91/939432791.db2.gz MDKFBUFNYITJQQ-NWDGAFQWSA-N 1 3 305.369 0.553 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496207492 939468461 /nfs/dbraw/zinc/46/84/61/939468461.db2.gz QDPXCWREJIFMDE-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496207492 939468462 /nfs/dbraw/zinc/46/84/62/939468462.db2.gz QDPXCWREJIFMDE-UONOGXRCSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481114447 939566399 /nfs/dbraw/zinc/56/63/99/939566399.db2.gz MNUZNYTVBLKJIM-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CN(CCNCC(=O)NC1CC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001481245599 939667150 /nfs/dbraw/zinc/66/71/50/939667150.db2.gz KUXMCBKPHUOUIW-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001408845397 939693660 /nfs/dbraw/zinc/69/36/60/939693660.db2.gz WXMZLMCIFQXEMX-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481275049 939693845 /nfs/dbraw/zinc/69/38/45/939693845.db2.gz BLQYFLSADVYZOE-UHFFFAOYSA-N 1 3 307.442 0.618 20 0 DCADHO C[C@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001268085159 939932056 /nfs/dbraw/zinc/93/20/56/939932056.db2.gz GYNHWDWRFKKUEH-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481644345 939998070 /nfs/dbraw/zinc/99/80/70/939998070.db2.gz GZFZIYIDCOEIJS-LRDDRELGSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481644345 939998073 /nfs/dbraw/zinc/99/80/73/939998073.db2.gz GZFZIYIDCOEIJS-LRDDRELGSA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268477734 940175231 /nfs/dbraw/zinc/17/52/31/940175231.db2.gz VKASSIUMVZYVIL-CQSZACIVSA-N 1 3 300.447 0.099 20 0 DCADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245977050 945303798 /nfs/dbraw/zinc/30/37/98/945303798.db2.gz UYQGIGYEUCHNEQ-CWRNSKLLSA-N 1 3 312.385 0.387 20 0 DCADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CCNC[C@@H]2F)cc1 ZINC001245978120 945305423 /nfs/dbraw/zinc/30/54/23/945305423.db2.gz ZXQDUDSXFFZTQE-CWRNSKLLSA-N 1 3 312.385 0.387 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001268574750 940250759 /nfs/dbraw/zinc/25/07/59/940250759.db2.gz LYHHOFBCJMDTDX-LYOOOYLASA-N 1 3 322.453 0.259 20 0 DCADHO O[C@H](CNC1CN(C2CC[NH2+]CC2)C1)COc1ccc(F)cc1 ZINC001245989685 945306420 /nfs/dbraw/zinc/30/64/20/945306420.db2.gz NHOATHLMMCKLPD-MRXNPFEDSA-N 1 3 323.412 0.591 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(=O)N1CCCC1 ZINC001482106816 940259603 /nfs/dbraw/zinc/25/96/03/940259603.db2.gz CLGIUFSNVIWOAH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@@H](NC/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001268589231 940271328 /nfs/dbraw/zinc/27/13/28/940271328.db2.gz UWPRYWHBYKVZQV-FHFZEBMASA-N 1 3 324.469 0.455 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001268673796 940326740 /nfs/dbraw/zinc/32/67/40/940326740.db2.gz KEKNVEGNOKMRPZ-ZIAGYGMSSA-N 1 3 308.430 0.247 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)NC(=O)C(C)(C)N1CCCC1 ZINC001268698823 940333716 /nfs/dbraw/zinc/33/37/16/940333716.db2.gz ZHHBCQDBVQDCBR-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO CN(CCC[NH2+]CCc1ccnn1C)C(=O)CN1CCCC1 ZINC001268950019 940416442 /nfs/dbraw/zinc/41/64/42/940416442.db2.gz IXIDTYFJHJTDFZ-UHFFFAOYSA-N 1 3 307.442 0.497 20 0 DCADHO N[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[C@H]1F ZINC001246053011 945331025 /nfs/dbraw/zinc/33/10/25/945331025.db2.gz GPGQCOPTCRQHGU-CBBWQLFWSA-N 1 3 317.355 0.567 20 0 DCADHO NC(=S)C1CCN(C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001246072342 945331990 /nfs/dbraw/zinc/33/19/90/945331990.db2.gz UYOIZKYMPSFPSH-LSDHHAIUSA-N 1 3 307.463 0.915 20 0 DCADHO NC(=S)C1CC[NH+](C[C@@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC001246072342 945331993 /nfs/dbraw/zinc/33/19/93/945331993.db2.gz UYOIZKYMPSFPSH-LSDHHAIUSA-N 1 3 307.463 0.915 20 0 DCADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246085700 945334724 /nfs/dbraw/zinc/33/47/24/945334724.db2.gz YEOMEUUIJFYFFI-GUIRCDHDSA-N 1 3 302.390 0.760 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](NC[C@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246135569 945341836 /nfs/dbraw/zinc/34/18/36/945341836.db2.gz ZRLIJFVKGLVCSH-XJKCOSOUSA-N 1 3 311.426 0.171 20 0 DCADHO CCNC(=O)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001269837379 940785024 /nfs/dbraw/zinc/78/50/24/940785024.db2.gz GQZXPLXDNICFPK-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH2+]CCO)cc1)N(C)C ZINC001270064981 940828284 /nfs/dbraw/zinc/82/82/84/940828284.db2.gz CPQISNAPZXLGPR-INIZCTEOSA-N 1 3 307.438 0.971 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)N3CCOCC3)CC2)CCN1 ZINC001246190566 945360547 /nfs/dbraw/zinc/36/05/47/945360547.db2.gz OOTTZPVWQXVMJZ-UKRRQHHQSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482331011 940999974 /nfs/dbraw/zinc/99/99/74/940999974.db2.gz NIZDSBVCVHMPTJ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482331011 940999979 /nfs/dbraw/zinc/99/99/79/940999979.db2.gz NIZDSBVCVHMPTJ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337486 941004300 /nfs/dbraw/zinc/00/43/00/941004300.db2.gz REDTWXIHOVTRPF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001409143129 941549703 /nfs/dbraw/zinc/54/97/03/941549703.db2.gz ILUPXTOSICURQN-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409143129 941549705 /nfs/dbraw/zinc/54/97/05/941549705.db2.gz ILUPXTOSICURQN-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNC/C=C/Cl ZINC001482799130 941674130 /nfs/dbraw/zinc/67/41/30/941674130.db2.gz NKIJEILSTJFKCO-BPJJOFIESA-N 1 3 303.834 0.682 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NC[C@@H](O)CNC/C=C\Cl ZINC001482799128 941674526 /nfs/dbraw/zinc/67/45/26/941674526.db2.gz NKIJEILSTJFKCO-AGLBCWCQSA-N 1 3 303.834 0.682 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@@H]1CCN(C(C)(C)C)C1=O ZINC001483054032 941812115 /nfs/dbraw/zinc/81/21/15/941812115.db2.gz JPISRLSKENAKCT-LMVHVUTASA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CC(CNCc2cnns2)C1 ZINC001409296425 941879001 /nfs/dbraw/zinc/87/90/01/941879001.db2.gz YWSIVZMXXYBQGW-UHFFFAOYSA-N 1 3 311.455 0.864 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CC(CNCc2cnns2)C1 ZINC001409296425 941879006 /nfs/dbraw/zinc/87/90/06/941879006.db2.gz YWSIVZMXXYBQGW-UHFFFAOYSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCc1cncn1C ZINC001409426887 941992555 /nfs/dbraw/zinc/99/25/55/941992555.db2.gz ZQEWJCRZFIOVDI-QWHCGFSZSA-N 1 3 307.442 0.745 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccc[nH]c3=O)C[C@H]21 ZINC001276335176 942089674 /nfs/dbraw/zinc/08/96/74/942089674.db2.gz YIBBOYSJTZPGGY-CABCVRRESA-N 1 3 306.410 0.234 20 0 DCADHO CCn1ccc(CNCCCN(C)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001483504330 942391206 /nfs/dbraw/zinc/39/12/06/942391206.db2.gz NWKQERLPQDGMGH-UHFFFAOYSA-N 1 3 319.453 0.937 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]Cc2cnn(C)c2)C2CC2)C1 ZINC001483587219 942444614 /nfs/dbraw/zinc/44/46/14/942444614.db2.gz BADHUNLXGJMOJC-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC(=O)N(C)C ZINC001409778685 942470182 /nfs/dbraw/zinc/47/01/82/942470182.db2.gz ZLGIPBBVXNCFER-CQSZACIVSA-N 1 3 323.441 0.503 20 0 DCADHO CN1CCC[C@@H](NC2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001483783907 942949366 /nfs/dbraw/zinc/94/93/66/942949366.db2.gz PDJHRRXMVZWUDR-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@@H](NC2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001483783907 942949369 /nfs/dbraw/zinc/94/93/69/942949369.db2.gz PDJHRRXMVZWUDR-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCc3ccc(CO)cc3)CC2)C1 ZINC001483790266 942953183 /nfs/dbraw/zinc/95/31/83/942953183.db2.gz DBCKNRYRBVOYIL-MRXNPFEDSA-N 1 3 317.433 0.869 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCc3ccc(CO)cc3)CC2)C1 ZINC001483790266 942953191 /nfs/dbraw/zinc/95/31/91/942953191.db2.gz DBCKNRYRBVOYIL-MRXNPFEDSA-N 1 3 317.433 0.869 20 0 DCADHO O=S(=O)(CCC[NH+]1CCCC1)NC[C@@H]1CN2CCC1CC2 ZINC001413468288 943000069 /nfs/dbraw/zinc/00/00/69/943000069.db2.gz LOSWMUUMQXNRFW-OAHLLOKOSA-N 1 3 315.483 0.734 20 0 DCADHO O=C(Cc1c[nH]cn1)N(CC[NH2+]CCO)Cc1ccccc1 ZINC001484399839 943354188 /nfs/dbraw/zinc/35/41/88/943354188.db2.gz CLJLXNOOPUOWJK-UHFFFAOYSA-N 1 3 302.378 0.563 20 0 DCADHO CO[C@@H](C)CN1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001484444293 943389718 /nfs/dbraw/zinc/38/97/18/943389718.db2.gz SGNYDKVMUJXNMX-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001485038851 943667402 /nfs/dbraw/zinc/66/74/02/943667402.db2.gz KOCJDEBDMOLBEC-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001490957713 943687994 /nfs/dbraw/zinc/68/79/94/943687994.db2.gz ALAKRBVVKXMBQR-KBUPBQIOSA-N 1 3 324.469 0.574 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001485101169 943691623 /nfs/dbraw/zinc/69/16/23/943691623.db2.gz OGXHEFJQTSCFES-UHFFFAOYSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1C[C@H]1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272697722 943732028 /nfs/dbraw/zinc/73/20/28/943732028.db2.gz NJTTZEYZXKEBJP-VYDXJSESSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H]1C[C@H]1C[N@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272697722 943732030 /nfs/dbraw/zinc/73/20/30/943732030.db2.gz NJTTZEYZXKEBJP-VYDXJSESSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001491252698 943868256 /nfs/dbraw/zinc/86/82/56/943868256.db2.gz CVCPHWIURCZYPS-KGLIPLIRSA-N 1 3 322.453 0.459 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCO[C@@H]1CC1(F)F ZINC001491479666 944033482 /nfs/dbraw/zinc/03/34/82/944033482.db2.gz YBAQCRSUJZBBTO-VXGBXAGGSA-N 1 3 319.396 0.989 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001491480954 944039704 /nfs/dbraw/zinc/03/97/04/944039704.db2.gz OZXVRSXSHKNBQN-VXGBXAGGSA-N 1 3 310.442 0.232 20 0 DCADHO Cn1cnc(CN2CC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)c1 ZINC001272731405 944167488 /nfs/dbraw/zinc/16/74/88/944167488.db2.gz HXYAUCOLZHATDY-MRXNPFEDSA-N 1 3 305.426 0.406 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccnn1C ZINC001485922915 944404358 /nfs/dbraw/zinc/40/43/58/944404358.db2.gz TUVDQMVCWJGZNB-CABCVRRESA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485955149 944413364 /nfs/dbraw/zinc/41/33/64/944413364.db2.gz GETRJIVKAHDVFO-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485955149 944413368 /nfs/dbraw/zinc/41/33/68/944413368.db2.gz GETRJIVKAHDVFO-UONOGXRCSA-N 1 3 312.458 0.147 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)CN(C)C1CCC1 ZINC001486114238 944573334 /nfs/dbraw/zinc/57/33/34/944573334.db2.gz MMUCWPKRPVSKOK-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486233720 944684146 /nfs/dbraw/zinc/68/41/46/944684146.db2.gz CWXAAUUTNUZELV-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001486233720 944684152 /nfs/dbraw/zinc/68/41/52/944684152.db2.gz CWXAAUUTNUZELV-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)C1CCN(C(=O)C2=NO[C@@H]3CN(CC4CC4)C[C@H]23)CC1 ZINC001277243857 944722652 /nfs/dbraw/zinc/72/26/52/944722652.db2.gz SDSADCSISTTYHK-LSDHHAIUSA-N 1 3 320.437 0.636 20 0 DCADHO CNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317433243 944967988 /nfs/dbraw/zinc/96/79/88/944967988.db2.gz CELUFIVDOAMOEJ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001317433243 944967996 /nfs/dbraw/zinc/96/79/96/944967996.db2.gz CELUFIVDOAMOEJ-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CCOCCO ZINC001317463568 944985724 /nfs/dbraw/zinc/98/57/24/944985724.db2.gz FCTLNODOWNVMOP-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CCOCCO ZINC001317463568 944985730 /nfs/dbraw/zinc/98/57/30/944985730.db2.gz FCTLNODOWNVMOP-CABCVRRESA-N 1 3 313.442 0.060 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCn2cccn2)CCC1 ZINC001277864947 945015349 /nfs/dbraw/zinc/01/53/49/945015349.db2.gz BXADDELPGPFELA-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO O=C1CNCCN1CCN[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246358198 945390900 /nfs/dbraw/zinc/39/09/00/945390900.db2.gz YKHOLNQFOAKRRN-SJORKVTESA-N 1 3 316.449 0.371 20 0 DCADHO O=C1CNCCN1CC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246354436 945392399 /nfs/dbraw/zinc/39/23/99/945392399.db2.gz FGMLYCQAIGMSMW-CVEARBPZSA-N 1 3 302.422 0.501 20 0 DCADHO O=C1CNCCN1CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246354436 945392406 /nfs/dbraw/zinc/39/24/06/945392406.db2.gz FGMLYCQAIGMSMW-CVEARBPZSA-N 1 3 302.422 0.501 20 0 DCADHO CCOC(=O)N1CC[C@@H](N[C@@H](CCCC[NH3+])C(=O)NC)C1 ZINC001246512552 945424680 /nfs/dbraw/zinc/42/46/80/945424680.db2.gz OUTKKMKGUUZBKB-NEPJUHHUSA-N 1 3 300.403 0.050 20 0 DCADHO Cc1cccc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246525493 945427077 /nfs/dbraw/zinc/42/70/77/945427077.db2.gz RGBLRTDXXAWOBK-OAHLLOKOSA-N 1 3 301.438 0.606 20 0 DCADHO COC(=O)[C@@H]1CC[C@H](N2CCC[C@@H]([NH3+])CC2)C[C@H]1C(=O)OC ZINC001246548174 945430260 /nfs/dbraw/zinc/43/02/60/945430260.db2.gz SFUYCFBLGAKKQT-XJFOESAGSA-N 1 3 312.410 0.931 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](N)[C@@H](F)CC2)C[C@@H]1C(=O)OC ZINC001246566245 945432193 /nfs/dbraw/zinc/43/21/93/945432193.db2.gz FIUWGPJHEJAMHN-IEECTRCBSA-N 1 3 316.373 0.488 20 0 DCADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](N)[C@@H](F)CC2)C[C@@H]1C(=O)OC ZINC001246566245 945432198 /nfs/dbraw/zinc/43/21/98/945432198.db2.gz FIUWGPJHEJAMHN-IEECTRCBSA-N 1 3 316.373 0.488 20 0 DCADHO NC[C@@]1(O)CCCC[N@@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001246556151 945432270 /nfs/dbraw/zinc/43/22/70/945432270.db2.gz DHDVJKVYICMIQC-JCYILVPMSA-N 1 3 311.470 0.806 20 0 DCADHO NC[C@@]1(O)CCCC[N@H+](C2CCC(N3CCOCC3)CC2)C1 ZINC001246556151 945432274 /nfs/dbraw/zinc/43/22/74/945432274.db2.gz DHDVJKVYICMIQC-JCYILVPMSA-N 1 3 311.470 0.806 20 0 DCADHO NC[C@H]1C[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246586589 945435917 /nfs/dbraw/zinc/43/59/17/945435917.db2.gz RJRNEYNUOAGJAK-GVDBMIGSSA-N 1 3 317.433 0.819 20 0 DCADHO NC[C@H]1C[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C[C@H]1O ZINC001246586589 945435922 /nfs/dbraw/zinc/43/59/22/945435922.db2.gz RJRNEYNUOAGJAK-GVDBMIGSSA-N 1 3 317.433 0.819 20 0 DCADHO COC(=O)[C@@H]1CNCCN1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246618404 945443623 /nfs/dbraw/zinc/44/36/23/945443623.db2.gz FETZNPOOVMDWFQ-IKGGRYGDSA-N 1 3 317.433 0.797 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001318831446 945450674 /nfs/dbraw/zinc/45/06/74/945450674.db2.gz QZBARBVXBFOTEF-UKRRQHHQSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CCN1 ZINC001246719836 945473199 /nfs/dbraw/zinc/47/31/99/945473199.db2.gz CNIJTNBJQTVJND-AALSBFMBSA-N 1 3 323.437 0.218 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CCN1 ZINC001246719836 945473202 /nfs/dbraw/zinc/47/32/02/945473202.db2.gz CNIJTNBJQTVJND-AALSBFMBSA-N 1 3 323.437 0.218 20 0 DCADHO C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CCN1 ZINC001246731761 945474788 /nfs/dbraw/zinc/47/47/88/945474788.db2.gz YJRAMAVFSHNPPE-AALSBFMBSA-N 1 3 323.437 0.913 20 0 DCADHO C[C@H]1C[C@@H]([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CCN1 ZINC001246731761 945474792 /nfs/dbraw/zinc/47/47/92/945474792.db2.gz YJRAMAVFSHNPPE-AALSBFMBSA-N 1 3 323.437 0.913 20 0 DCADHO O=C(c1cccnc1)N1C[C@@H]2C[NH+]([C@H]3CCCNC3)C[C@H]2C1 ZINC001246765196 945487121 /nfs/dbraw/zinc/48/71/21/945487121.db2.gz IHBASLLYBCVJRE-JYJNAYRXSA-N 1 3 300.406 0.837 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CCN1 ZINC001246805492 945494070 /nfs/dbraw/zinc/49/40/70/945494070.db2.gz NSJXOGBMVFICDA-COMQUAJESA-N 1 3 303.410 0.455 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)CCN1 ZINC001246805492 945494073 /nfs/dbraw/zinc/49/40/73/945494073.db2.gz NSJXOGBMVFICDA-COMQUAJESA-N 1 3 303.410 0.455 20 0 DCADHO CCOC(=O)[C@@H]1C[C@@H]([N@H+](CCOC)C2CCNCC2)CCN1 ZINC001246836235 945501805 /nfs/dbraw/zinc/50/18/05/945501805.db2.gz NNTKLQNZQNYNMG-GJZGRUSLSA-N 1 3 313.442 0.371 20 0 DCADHO CCOC(=O)[C@@H]1C[C@@H]([N@@H+](CCOC)C2CCNCC2)CCN1 ZINC001246836235 945501811 /nfs/dbraw/zinc/50/18/11/945501811.db2.gz NNTKLQNZQNYNMG-GJZGRUSLSA-N 1 3 313.442 0.371 20 0 DCADHO COc1cnc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c(OC)c1 ZINC001247839082 945575839 /nfs/dbraw/zinc/57/58/39/945575839.db2.gz ZZGPAJDBDGWNQE-JTQLQIEISA-N 1 3 317.349 0.425 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+]CC1(c2cnccn2)CCOCC1 ZINC001253213903 946095004 /nfs/dbraw/zinc/09/50/04/946095004.db2.gz WPLPJEGXOGXZRT-HNNXBMFYSA-N 1 3 322.453 0.817 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(OC)cc1 ZINC001253211435 946096888 /nfs/dbraw/zinc/09/68/88/946096888.db2.gz WGKXREDCOQIULZ-JKSUJKDBSA-N 1 3 310.438 0.891 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC1CC1 ZINC001410383122 946283141 /nfs/dbraw/zinc/28/31/41/946283141.db2.gz KTRPBRXAOJVADG-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001410386962 946287380 /nfs/dbraw/zinc/28/73/80/946287380.db2.gz UEBCNTVMWGGHFB-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001410386962 946287391 /nfs/dbraw/zinc/28/73/91/946287391.db2.gz UEBCNTVMWGGHFB-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)N1CCCC1 ZINC001410435595 946364041 /nfs/dbraw/zinc/36/40/41/946364041.db2.gz MBDDVXDUDOQFSO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)N1CCCC1 ZINC001410435595 946364052 /nfs/dbraw/zinc/36/40/52/946364052.db2.gz MBDDVXDUDOQFSO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001410435595 946364058 /nfs/dbraw/zinc/36/40/58/946364058.db2.gz MBDDVXDUDOQFSO-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001273269216 946377550 /nfs/dbraw/zinc/37/75/50/946377550.db2.gz XPHHYYFRXZFIHA-ZIAGYGMSSA-N 1 3 301.406 0.647 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001273269216 946377564 /nfs/dbraw/zinc/37/75/64/946377564.db2.gz XPHHYYFRXZFIHA-ZIAGYGMSSA-N 1 3 301.406 0.647 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001410446645 946389905 /nfs/dbraw/zinc/38/99/05/946389905.db2.gz XKGNYOLKTXALIU-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001414069570 946407821 /nfs/dbraw/zinc/40/78/21/946407821.db2.gz AVDNWFPVHYWCLM-QLFBSQMISA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001321653204 946414833 /nfs/dbraw/zinc/41/48/33/946414833.db2.gz XIOYYULUEUHLIH-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CS(=O)(=O)N(C1CC[NH2+]CC1)[C@@H]1CC2CCN(CC2)C1 ZINC001254854313 946440187 /nfs/dbraw/zinc/44/01/87/946440187.db2.gz YPMNJZIMUOKKIP-CQSZACIVSA-N 1 3 301.456 0.484 20 0 DCADHO CN(C)C(=O)c1nn([C@H]2CC3CC[NH+](CC3)C2)c2c1CNCC2 ZINC001254857554 946440280 /nfs/dbraw/zinc/44/02/80/946440280.db2.gz BEFNISUTIQRUFY-ZDUSSCGKSA-N 1 3 317.437 0.887 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001410486061 946479298 /nfs/dbraw/zinc/47/92/98/946479298.db2.gz HFCAFYCLBLYBNH-OLZOCXBDSA-N 1 3 314.474 0.678 20 0 DCADHO COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC001256615926 946650191 /nfs/dbraw/zinc/65/01/91/946650191.db2.gz CMPCZGYFRDKICT-MNFFZHCASA-N 1 3 323.437 0.754 20 0 DCADHO CS(=O)(=O)N1CCC([NH+]2CCC(N3CCC3)CC2)CC1 ZINC001257242293 946721149 /nfs/dbraw/zinc/72/11/49/946721149.db2.gz ALPMURPRPRAARC-UHFFFAOYSA-N 1 3 301.456 0.581 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001322712362 946778684 /nfs/dbraw/zinc/77/86/84/946778684.db2.gz YUQHEUQJGVPBSX-UHFFFAOYSA-N 1 3 318.425 0.904 20 0 DCADHO CC(C)CN1CCC([NH2+]CCOCCN2C(=O)C=CC2=O)CC1 ZINC001258008335 946791040 /nfs/dbraw/zinc/79/10/40/946791040.db2.gz NNVBHAPNFLSVQV-UHFFFAOYSA-N 1 3 323.437 0.638 20 0 DCADHO Cc1ccccc1C[NH2+][C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001410719944 946835376 /nfs/dbraw/zinc/83/53/76/946835376.db2.gz HRVSCDDFLXNLGU-WMLDXEAASA-N 1 3 319.449 0.904 20 0 DCADHO C[C@@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410882419 947083263 /nfs/dbraw/zinc/08/32/63/947083263.db2.gz YZZXQYHDSBGQET-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC(=O)N(C)C)C(C)(C)C2)C1 ZINC001410987774 947197188 /nfs/dbraw/zinc/19/71/88/947197188.db2.gz OJRJUJYEGJXHHM-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC001325427759 947792545 /nfs/dbraw/zinc/79/25/45/947792545.db2.gz LBMGXOKTEVBDCU-ZDUSSCGKSA-N 1 3 324.425 0.284 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCO[C@H](CNC/C=C/Cl)C2)CC1 ZINC001280629062 947817216 /nfs/dbraw/zinc/81/72/16/947817216.db2.gz KHFHEZQIWXDOBO-VUUYWXRKSA-N 1 3 315.845 0.898 20 0 DCADHO C[C@@H]1C[C@H](NS(=O)(=O)CC[NH3+])CCN1Cc1ccccc1 ZINC000379641581 947836708 /nfs/dbraw/zinc/83/67/08/947836708.db2.gz YLJSYTQREHUYAL-UKRRQHHQSA-N 1 3 311.451 0.918 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOCCOC)[C@@H]1C)N(C)C ZINC001179554117 947870789 /nfs/dbraw/zinc/87/07/89/947870789.db2.gz PVZIXQNJQPQWMM-KKUMJFAQSA-N 1 3 315.458 0.569 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179651583 947880803 /nfs/dbraw/zinc/88/08/03/947880803.db2.gz JGMQDBFQCKNBAK-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]CCCCn1cc(-c2nc([C@H]3CN4CCC3CC4)no2)nn1 ZINC001325934604 947983263 /nfs/dbraw/zinc/98/32/63/947983263.db2.gz XWZWNKIHEQNYPT-LBPRGKRZSA-N 1 3 317.397 0.876 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001488267093 948637107 /nfs/dbraw/zinc/63/71/07/948637107.db2.gz HAJLUIJYJNUHBT-OCCSQVGLSA-N 1 3 321.425 0.400 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CC(N)=O ZINC001263960513 948814744 /nfs/dbraw/zinc/81/47/44/948814744.db2.gz JCPRQMJTAHJJGU-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001488804455 949199314 /nfs/dbraw/zinc/19/93/14/949199314.db2.gz KYFYZXJFUARLBV-OKILXGFUSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC001364698052 949774657 /nfs/dbraw/zinc/77/46/57/949774657.db2.gz LLMWNEFZFKADIL-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C)[C@@H](O)C1 ZINC001364698052 949774666 /nfs/dbraw/zinc/77/46/66/949774666.db2.gz LLMWNEFZFKADIL-KKUMJFAQSA-N 1 3 314.474 0.671 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001489820366 950123408 /nfs/dbraw/zinc/12/34/08/950123408.db2.gz NDPDYOXVMKYYBR-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001489820366 950123421 /nfs/dbraw/zinc/12/34/21/950123421.db2.gz NDPDYOXVMKYYBR-SOUVJXGZSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCOC)C1 ZINC001330425806 950386395 /nfs/dbraw/zinc/38/63/95/950386395.db2.gz NMPNFLRPKAAORU-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001266241221 950515509 /nfs/dbraw/zinc/51/55/09/950515509.db2.gz LPCFSCBMAUZGPK-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001331600021 951189247 /nfs/dbraw/zinc/18/92/47/951189247.db2.gz GQAXEFUXQZLPMW-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CC[C@@H](C(=O)N1CC=C(CNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001281396999 951483946 /nfs/dbraw/zinc/48/39/46/951483946.db2.gz ROLHRRRGWCFOMF-HNNXBMFYSA-N 1 3 324.469 0.553 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(O)(CNCCF)CC1 ZINC001281645276 951576287 /nfs/dbraw/zinc/57/62/87/951576287.db2.gz VTAIHCFJBINSMD-KBPBESRZSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001365816307 951576546 /nfs/dbraw/zinc/57/65/46/951576546.db2.gz BZXZGFZLNXQPOD-LXTVHRRPSA-N 1 3 324.469 0.288 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001365819714 951581130 /nfs/dbraw/zinc/58/11/30/951581130.db2.gz MHIKWWKCEVVBOF-SOUVJXGZSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001365838135 951603307 /nfs/dbraw/zinc/60/33/07/951603307.db2.gz AGXFDLONIYQBSO-XDQVBPFNSA-N 1 3 312.458 0.192 20 0 DCADHO CC(C)=CCN(C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001332679194 951760001 /nfs/dbraw/zinc/76/00/01/951760001.db2.gz WLCHJVJRJCNGDI-HNNXBMFYSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001274752885 951824712 /nfs/dbraw/zinc/82/47/12/951824712.db2.gz KPGOTJRSFHBTJV-KGLIPLIRSA-N 1 3 308.430 0.245 20 0 DCADHO Cn1cncc1N1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274760006 951828251 /nfs/dbraw/zinc/82/82/51/951828251.db2.gz XNDYLEGMRGGFPC-MRXNPFEDSA-N 1 3 305.426 0.943 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC001332974747 951869713 /nfs/dbraw/zinc/86/97/13/951869713.db2.gz DCFXBWRKXTXZQP-KBPBESRZSA-N 1 3 300.422 0.078 20 0 DCADHO CCCN1C[C@@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H](C1)O2 ZINC001275101590 951958289 /nfs/dbraw/zinc/95/82/89/951958289.db2.gz OWRVOIFKTVRHLY-OWCLPIDISA-N 1 3 307.438 0.792 20 0 DCADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC001275169214 951982900 /nfs/dbraw/zinc/98/29/00/951982900.db2.gz RILNBKSBBUSUFV-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001334072844 952235875 /nfs/dbraw/zinc/23/58/75/952235875.db2.gz RLQODFGCWHKWRO-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cccnn3)C[C@H]2CC1 ZINC001275874531 952503138 /nfs/dbraw/zinc/50/31/38/952503138.db2.gz KJVLXEGCEXNATH-GASCZTMLSA-N 1 3 317.437 0.709 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cccnn3)C[C@H]2CC1 ZINC001275874531 952503143 /nfs/dbraw/zinc/50/31/43/952503143.db2.gz KJVLXEGCEXNATH-GASCZTMLSA-N 1 3 317.437 0.709 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(CCCC3OCCO3)C[C@@H]21 ZINC001275999641 952605295 /nfs/dbraw/zinc/60/52/95/952605295.db2.gz GSTJKTYXTJBSQG-GJZGRUSLSA-N 1 3 313.442 0.086 20 0 DCADHO CN(CCCNCc1cnns1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001276007528 952613861 /nfs/dbraw/zinc/61/38/61/952613861.db2.gz UUFITTZRZIZDIY-AWEZNQCLSA-N 1 3 323.466 0.818 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001338643283 953039858 /nfs/dbraw/zinc/03/98/58/953039858.db2.gz HBDJVEKTCOAPGF-CVEARBPZSA-N 1 3 322.453 0.537 20 0 DCADHO O=C(NCCCCC[NH+]1CCNCC1)N1CCN(C2CC2)CC1 ZINC001338704977 953044374 /nfs/dbraw/zinc/04/43/74/953044374.db2.gz PZYZHOWTNYBBBZ-UHFFFAOYSA-N 1 3 323.485 0.552 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001342274526 953280720 /nfs/dbraw/zinc/28/07/20/953280720.db2.gz SGVIAPVEFBWQHR-RRFJBIMHSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCc2ccnn2C)C1)N(C)C ZINC001282014113 953445243 /nfs/dbraw/zinc/44/52/43/953445243.db2.gz RVPTVFVNTQXYCS-ZBCRRDGASA-N 1 3 321.469 0.787 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC001345153214 953601406 /nfs/dbraw/zinc/60/14/06/953601406.db2.gz ATDOQULQMNGKQD-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001366125215 953717568 /nfs/dbraw/zinc/71/75/68/953717568.db2.gz HXXXHOXCTZXEMC-CRWXNKLISA-N 1 3 310.442 0.042 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(CCN2CCCC2=O)C1 ZINC001366180443 953783203 /nfs/dbraw/zinc/78/32/03/953783203.db2.gz OJAMIYADKNIJSG-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001366208653 953824349 /nfs/dbraw/zinc/82/43/49/953824349.db2.gz QVALSBIXVGHADY-AWEZNQCLSA-N 1 3 322.457 0.485 20 0 DCADHO CCn1nncc1CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001366214076 953831943 /nfs/dbraw/zinc/83/19/43/953831943.db2.gz CKAINXKBIKJKSN-AWEZNQCLSA-N 1 3 322.457 0.720 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001366216861 953840536 /nfs/dbraw/zinc/84/05/36/953840536.db2.gz DYNOYUUVHBROSC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001366216861 953840548 /nfs/dbraw/zinc/84/05/48/953840548.db2.gz DYNOYUUVHBROSC-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001366301011 953984811 /nfs/dbraw/zinc/98/48/11/953984811.db2.gz KJBWXJCFILZBCI-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001366301011 953984816 /nfs/dbraw/zinc/98/48/16/953984816.db2.gz KJBWXJCFILZBCI-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CC1CC1)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001366378056 954122984 /nfs/dbraw/zinc/12/29/84/954122984.db2.gz TUYGPOKLUUNPGL-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001366395980 954147760 /nfs/dbraw/zinc/14/77/60/954147760.db2.gz ARKQXSDSZQHYIG-DGCLKSJQSA-N 1 3 308.430 0.564 20 0 DCADHO C[C@@H](NC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1nncn1C ZINC001366406211 954161104 /nfs/dbraw/zinc/16/11/04/954161104.db2.gz VMMVWYPLZPWFRV-ZIAGYGMSSA-N 1 3 322.457 0.656 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001366436616 954192698 /nfs/dbraw/zinc/19/26/98/954192698.db2.gz OUQTXXBLRHBWKC-RRFJBIMHSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001366436616 954192703 /nfs/dbraw/zinc/19/27/03/954192703.db2.gz OUQTXXBLRHBWKC-RRFJBIMHSA-N 1 3 315.458 0.257 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001366486553 954264961 /nfs/dbraw/zinc/26/49/61/954264961.db2.gz CKMZYKIZNGEYRH-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001366571370 954441668 /nfs/dbraw/zinc/44/16/68/954441668.db2.gz QXZQZWOECNUFFU-GJZGRUSLSA-N 1 3 315.458 0.306 20 0 DCADHO CN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001283548647 954443776 /nfs/dbraw/zinc/44/37/76/954443776.db2.gz NNFKKLMFNLCGDJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001283548647 954443781 /nfs/dbraw/zinc/44/37/81/954443781.db2.gz NNFKKLMFNLCGDJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCn2cncn2)C1)N(C)C ZINC001366698430 954669444 /nfs/dbraw/zinc/66/94/44/954669444.db2.gz NBDVJULFPSFZMM-HUUCEWRRSA-N 1 3 322.457 0.302 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCn2cncn2)C1)N(C)C ZINC001366698430 954669446 /nfs/dbraw/zinc/66/94/46/954669446.db2.gz NBDVJULFPSFZMM-HUUCEWRRSA-N 1 3 322.457 0.302 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001366779897 954833802 /nfs/dbraw/zinc/83/38/02/954833802.db2.gz UTPGEQPDHVKCPO-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001366779897 954833813 /nfs/dbraw/zinc/83/38/13/954833813.db2.gz UTPGEQPDHVKCPO-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@H+](CCn1cccn1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366876591 954977740 /nfs/dbraw/zinc/97/77/40/954977740.db2.gz XQOIGXVIPIWDDR-INIZCTEOSA-N 1 3 319.453 0.759 20 0 DCADHO C[N@@H+](CCn1cccn1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366876591 954977754 /nfs/dbraw/zinc/97/77/54/954977754.db2.gz XQOIGXVIPIWDDR-INIZCTEOSA-N 1 3 319.453 0.759 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]CCn1cncn1 ZINC001367099840 955311564 /nfs/dbraw/zinc/31/15/64/955311564.db2.gz IDPAGSBYHLGSNE-CABCVRRESA-N 1 3 322.457 0.635 20 0 DCADHO CCCC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)C(N)=O ZINC001367221947 955479595 /nfs/dbraw/zinc/47/95/95/955479595.db2.gz NJBMWHICTGNVPP-QLFBSQMISA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001367237352 955502261 /nfs/dbraw/zinc/50/22/61/955502261.db2.gz AEOBLFZMONQBAI-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367286640 955588083 /nfs/dbraw/zinc/58/80/83/955588083.db2.gz ILDOTSJEZGKIKH-NEPJUHHUSA-N 1 3 311.455 0.722 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367286640 955588092 /nfs/dbraw/zinc/58/80/92/955588092.db2.gz ILDOTSJEZGKIKH-NEPJUHHUSA-N 1 3 311.455 0.722 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cncn1C)N(C)C ZINC001367288118 955592364 /nfs/dbraw/zinc/59/23/64/955592364.db2.gz NEKSAGWTJDXVKT-ZFWWWQNUSA-N 1 3 309.458 0.848 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cncn1C)N(C)C ZINC001367288113 955592442 /nfs/dbraw/zinc/59/24/42/955592442.db2.gz NEKSAGWTJDXVKT-UKRRQHHQSA-N 1 3 309.458 0.848 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CCCO1 ZINC001200688030 956416408 /nfs/dbraw/zinc/41/64/08/956416408.db2.gz JJGUUIFDOOUYNN-CABCVRRESA-N 1 3 313.442 0.180 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001292779249 957149245 /nfs/dbraw/zinc/14/92/45/957149245.db2.gz SAOAKBUBKRLHDR-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001292779249 957149251 /nfs/dbraw/zinc/14/92/51/957149251.db2.gz SAOAKBUBKRLHDR-OKILXGFUSA-N 1 3 312.458 0.433 20 0 DCADHO [NH3+]CCCSCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001357384242 957262099 /nfs/dbraw/zinc/26/20/99/957262099.db2.gz IBZFEUDBHURAIS-CHWSQXEVSA-N 1 3 301.456 0.438 20 0 DCADHO C[C@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001367376153 957741305 /nfs/dbraw/zinc/74/13/05/957741305.db2.gz LXQKONKBZIHSKI-STQMWFEESA-N 1 3 314.474 0.678 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001367386305 957752324 /nfs/dbraw/zinc/75/23/24/957752324.db2.gz RMNPLOHQTTYDTR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H](NC[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367390464 957758502 /nfs/dbraw/zinc/75/85/02/957758502.db2.gz XBNIBGAJHZQXAK-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001367648159 958266861 /nfs/dbraw/zinc/26/68/61/958266861.db2.gz SRLAIJXPMVZCCP-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CCOc1ccc(C(=O)N[C@H](C)C[NH2+][C@H]2CCN(C)C2=O)cn1 ZINC001367673420 958331370 /nfs/dbraw/zinc/33/13/70/958331370.db2.gz BZYIPGUWUSPUNE-YPMHNXCESA-N 1 3 320.393 0.419 20 0 DCADHO Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)c1cnc(N(C)C)cn1 ZINC001367674599 958331703 /nfs/dbraw/zinc/33/17/03/958331703.db2.gz HUNHPRUJMRVOAU-SNVBAGLBSA-N 1 3 318.381 0.747 20 0 DCADHO Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001367673611 958331860 /nfs/dbraw/zinc/33/18/60/958331860.db2.gz VDGUIRHKCQNBKF-MFKMUULPSA-N 1 3 311.382 0.691 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001367770287 958537765 /nfs/dbraw/zinc/53/77/65/958537765.db2.gz FRYWIZWMSZHXMH-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1ncc(CNC[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001367770287 958537779 /nfs/dbraw/zinc/53/77/79/958537779.db2.gz FRYWIZWMSZHXMH-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO CC[N@H+](C)CCC(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C ZINC001298312819 958540632 /nfs/dbraw/zinc/54/06/32/958540632.db2.gz RVODFAFUHPWALW-VBROQKIQSA-N 1 3 310.442 0.211 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C ZINC001298312819 958540647 /nfs/dbraw/zinc/54/06/47/958540647.db2.gz RVODFAFUHPWALW-VBROQKIQSA-N 1 3 310.442 0.211 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)CC1CC1 ZINC001491579361 958873104 /nfs/dbraw/zinc/87/31/04/958873104.db2.gz LEFPYNVMLMPBJI-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001368114517 959273594 /nfs/dbraw/zinc/27/35/94/959273594.db2.gz HFXFMUVEQPZPLK-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491832013 959279495 /nfs/dbraw/zinc/27/94/95/959279495.db2.gz GJACSCCXLCOKSM-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491832013 959279509 /nfs/dbraw/zinc/27/95/09/959279509.db2.gz GJACSCCXLCOKSM-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491836699 959285577 /nfs/dbraw/zinc/28/55/77/959285577.db2.gz AGLUAQMECCGYTA-GFCCVEGCSA-N 1 3 321.425 0.305 20 0 DCADHO Cc1ncc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCN2C)cn1 ZINC001377009384 959303235 /nfs/dbraw/zinc/30/32/35/959303235.db2.gz FBTPJBFBXVCAEE-DOMZBBRYSA-N 1 3 305.426 0.864 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001368156202 959352418 /nfs/dbraw/zinc/35/24/18/959352418.db2.gz FNZLOPIVHFVOQD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001368156202 959352436 /nfs/dbraw/zinc/35/24/36/959352436.db2.gz FNZLOPIVHFVOQD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1ccnn1C ZINC001377067645 959420915 /nfs/dbraw/zinc/42/09/15/959420915.db2.gz OSSFMCMTVWWXBK-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001368191531 959429679 /nfs/dbraw/zinc/42/96/79/959429679.db2.gz SSRQILGBPISAHH-RHSMWYFYSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC)N(C)C ZINC001377096991 959462830 /nfs/dbraw/zinc/46/28/30/959462830.db2.gz NLAVMVRYVVQJKA-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC)N(C)C ZINC001377096991 959462837 /nfs/dbraw/zinc/46/28/37/959462837.db2.gz NLAVMVRYVVQJKA-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)CCC1 ZINC001491975457 959464898 /nfs/dbraw/zinc/46/48/98/959464898.db2.gz ODIFTNIKFSHYFI-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001492055139 959531009 /nfs/dbraw/zinc/53/10/09/959531009.db2.gz IGCPRKJMGLQOLA-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)C[C@H](C)CN1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368292282 959626221 /nfs/dbraw/zinc/62/62/21/959626221.db2.gz XPEGYMRJQRVEGY-LSDHHAIUSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[C@H](C)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368292282 959626228 /nfs/dbraw/zinc/62/62/28/959626228.db2.gz XPEGYMRJQRVEGY-LSDHHAIUSA-N 1 3 311.470 0.926 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001368346122 959704992 /nfs/dbraw/zinc/70/49/92/959704992.db2.gz FDUBCBXYBAXWBA-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C)n[nH]1 ZINC001377281795 959852258 /nfs/dbraw/zinc/85/22/58/959852258.db2.gz UNSSHIHQSDLLTA-AAEUAGOBSA-N 1 3 308.430 0.391 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001368504935 959950304 /nfs/dbraw/zinc/95/03/04/959950304.db2.gz LQTAOHHREVZXNA-KGLIPLIRSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001368511164 959961290 /nfs/dbraw/zinc/96/12/90/959961290.db2.gz JREDKYXJHVHCDC-OAHLLOKOSA-N 1 3 323.441 0.077 20 0 DCADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](CNCc2cnnn2C)C1 ZINC001368670583 960143091 /nfs/dbraw/zinc/14/30/91/960143091.db2.gz XOTPTWOCPSQBCH-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C(C)C)C1 ZINC001368753049 960229644 /nfs/dbraw/zinc/22/96/44/960229644.db2.gz ZCIBNUUGFWSGID-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1)[NH+](C)C ZINC001377591454 960326656 /nfs/dbraw/zinc/32/66/56/960326656.db2.gz JWAWULZTLJBCCG-GXTWGEPZSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC1CCCC1 ZINC001377591345 960327738 /nfs/dbraw/zinc/32/77/38/960327738.db2.gz RJDVPUQCLKKBDN-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(=O)N1CCC1 ZINC001378252069 960431309 /nfs/dbraw/zinc/43/13/09/960431309.db2.gz CMHKRCYRCBRCDK-HIFRSBDPSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cncn1C ZINC001378606218 961114136 /nfs/dbraw/zinc/11/41/36/961114136.db2.gz OZJLBMPXOCHDBZ-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@@H]1c1ccccc1F ZINC001549033322 1013237249 /nfs/dbraw/zinc/23/72/49/1013237249.db2.gz XWBPYHMPGHAWNZ-NJZAAPMLSA-N 1 3 307.369 0.457 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001549033479 1013237902 /nfs/dbraw/zinc/23/79/02/1013237902.db2.gz MPDMFMUSDBWZJG-QLFBSQMISA-N 1 3 305.426 0.548 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001378691754 961288867 /nfs/dbraw/zinc/28/88/67/961288867.db2.gz RNIVGYBCHYQZIJ-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001378691754 961288881 /nfs/dbraw/zinc/28/88/81/961288881.db2.gz RNIVGYBCHYQZIJ-UONOGXRCSA-N 1 3 322.453 0.507 20 0 DCADHO C[C@H](CC[NH+](C)C)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001363574323 961473909 /nfs/dbraw/zinc/47/39/09/961473909.db2.gz NYRDMEIGPMBLGQ-OAHLLOKOSA-N 1 3 310.486 0.813 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)CCC1 ZINC001378792894 961488610 /nfs/dbraw/zinc/48/86/10/961488610.db2.gz ZVFMJBLDNNZKKQ-HZSPNIEDSA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CCC1 ZINC001378792894 961488615 /nfs/dbraw/zinc/48/86/15/961488615.db2.gz ZVFMJBLDNNZKKQ-HZSPNIEDSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@H](NC[C@H](C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001378815479 961532088 /nfs/dbraw/zinc/53/20/88/961532088.db2.gz KEAOXRBXZWSNJG-STQMWFEESA-N 1 3 320.437 0.672 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001378870495 961636790 /nfs/dbraw/zinc/63/67/90/961636790.db2.gz WJRVNZMDPDXXBA-IIAWOOMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)C[NH+]1CCC(C(=O)N2CC(N[C@@H]3CCOC3)C2)CC1 ZINC001363678089 961680042 /nfs/dbraw/zinc/68/00/42/961680042.db2.gz MRHGGLXDTWLKLE-OAHLLOKOSA-N 1 3 309.454 0.944 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001378917512 961706141 /nfs/dbraw/zinc/70/61/41/961706141.db2.gz SFQSEUFEPSHLJQ-TZMCWYRMSA-N 1 3 321.425 0.448 20 0 DCADHO Cc1cc(CN[C@@H](CNC(=O)CC[NH+](C)C)C(C)C)ncn1 ZINC001378986886 961812033 /nfs/dbraw/zinc/81/20/33/961812033.db2.gz CILHKYBJOMFILE-HNNXBMFYSA-N 1 3 307.442 0.967 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC001379732663 961885652 /nfs/dbraw/zinc/88/56/52/961885652.db2.gz ZVMHPUVLJASEPO-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnccc1C)N(C)C ZINC001379862184 962164987 /nfs/dbraw/zinc/16/49/87/962164987.db2.gz AHFFOIXIHNFVID-JKSUJKDBSA-N 1 3 322.453 0.639 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001379941362 962349400 /nfs/dbraw/zinc/34/94/00/962349400.db2.gz UTCAWVFGNNYNEZ-CHWSQXEVSA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001379941362 962349419 /nfs/dbraw/zinc/34/94/19/962349419.db2.gz UTCAWVFGNNYNEZ-CHWSQXEVSA-N 1 3 306.414 0.049 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCc2cncc(F)c2)CC1 ZINC001379236537 962427873 /nfs/dbraw/zinc/42/78/73/962427873.db2.gz FVBJUIYLPNJMFI-OAHLLOKOSA-N 1 3 324.400 0.129 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001379237841 962434206 /nfs/dbraw/zinc/43/42/06/962434206.db2.gz CLZQXKQMZQYJMN-XJKSGUPXSA-N 1 3 315.433 0.676 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001380024697 962521565 /nfs/dbraw/zinc/52/15/65/962521565.db2.gz YOLNYOWDKVCASM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379451152 962951552 /nfs/dbraw/zinc/95/15/52/962951552.db2.gz NJQWDYCLEZBERA-KGLIPLIRSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001380290572 963000179 /nfs/dbraw/zinc/00/01/79/963000179.db2.gz MCZRZKDJVHIHRU-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001379547117 963165397 /nfs/dbraw/zinc/16/53/97/963165397.db2.gz CRXYBWOXEOSAFW-IUODEOHRSA-N 1 3 322.453 0.186 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001380416644 963176551 /nfs/dbraw/zinc/17/65/51/963176551.db2.gz BLLKMWGVRFEXRE-BBRMVZONSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001379580062 963210846 /nfs/dbraw/zinc/21/08/46/963210846.db2.gz FYPDGRHLXXKVMF-LBPRGKRZSA-N 1 3 320.441 0.618 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001430387458 1013424230 /nfs/dbraw/zinc/42/42/30/1013424230.db2.gz RWOGYYZFEXEPRJ-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001430387458 1013424235 /nfs/dbraw/zinc/42/42/35/1013424235.db2.gz RWOGYYZFEXEPRJ-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)CC[NH+](C)C ZINC001380770848 963572053 /nfs/dbraw/zinc/57/20/53/963572053.db2.gz VFBIFJAAXPVEMK-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001381111663 963822115 /nfs/dbraw/zinc/82/21/15/963822115.db2.gz UDYVFQIYUIEBOP-TZMCWYRMSA-N 1 3 310.442 0.042 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCN2CCCC2=O)[C@@H](C)C1 ZINC001381122295 963828200 /nfs/dbraw/zinc/82/82/00/963828200.db2.gz HTQXALMMYZFQLB-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC(O)(C[NH2+]CC2CCC2)CC1 ZINC001381153964 963851144 /nfs/dbraw/zinc/85/11/44/963851144.db2.gz DMTHADXOKNSVHP-UHFFFAOYSA-N 1 3 306.410 0.695 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC1CC1)N(C)C ZINC001381276357 963934794 /nfs/dbraw/zinc/93/47/94/963934794.db2.gz RKYNMXLAHPEQBF-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCn1cncn1)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001381292705 963949788 /nfs/dbraw/zinc/94/97/88/963949788.db2.gz DDELHBJJTUEMDN-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CC(=O)NC)CC1 ZINC001368900439 964111499 /nfs/dbraw/zinc/11/14/99/964111499.db2.gz NVZHDGMQYSPLOQ-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC001447583448 1013475452 /nfs/dbraw/zinc/47/54/52/1013475452.db2.gz GHDRFNONYSGROB-UHFFFAOYSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccnn1C)C1CC1 ZINC001375279223 964199794 /nfs/dbraw/zinc/19/97/94/964199794.db2.gz VXCXTXRTMLUZSO-OAHLLOKOSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@H+](C)CCc1ccnn1C ZINC001368978858 964230648 /nfs/dbraw/zinc/23/06/48/964230648.db2.gz OFCXQHWKDTZGBX-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[N@@H+](C)CCc1ccnn1C ZINC001368978858 964230652 /nfs/dbraw/zinc/23/06/52/964230652.db2.gz OFCXQHWKDTZGBX-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001369250527 964597692 /nfs/dbraw/zinc/59/76/92/964597692.db2.gz MWRGCXZOHZTZTE-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)NC1CC1 ZINC001373768724 964599360 /nfs/dbraw/zinc/59/93/60/964599360.db2.gz MEDNTNDKSDEUBH-CYBMUJFWSA-N 1 3 322.453 0.378 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H]1CCN(CC)C1=O ZINC001373791526 964632747 /nfs/dbraw/zinc/63/27/47/964632747.db2.gz OBURIGJACUMTIB-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001373799549 964645479 /nfs/dbraw/zinc/64/54/79/964645479.db2.gz VVHFQWUBIJWZNA-NWDGAFQWSA-N 1 3 300.447 0.323 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F)CCC1 ZINC001369327617 964754606 /nfs/dbraw/zinc/75/46/06/964754606.db2.gz WPXGBTVIQRDRSF-SNVBAGLBSA-N 1 3 311.348 0.490 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001375731627 964769857 /nfs/dbraw/zinc/76/98/57/964769857.db2.gz GOYFTIIUAKBMQN-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@]1(C[NH2+]CC(N)=O)CCCC[C@@H]1C ZINC001373905784 964772821 /nfs/dbraw/zinc/77/28/21/964772821.db2.gz ULLQONKYRQAFAP-BBRMVZONSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001373913565 964778749 /nfs/dbraw/zinc/77/87/49/964778749.db2.gz XARNCWJBZZWVKS-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001369348988 964799914 /nfs/dbraw/zinc/79/99/14/964799914.db2.gz OYRVMWOXZSCNKQ-QGZVFWFLSA-N 1 3 319.449 0.904 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001373950219 964810845 /nfs/dbraw/zinc/81/08/45/964810845.db2.gz PFVIBXVEZCWBRP-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001373950219 964810854 /nfs/dbraw/zinc/81/08/54/964810854.db2.gz PFVIBXVEZCWBRP-UONOGXRCSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC2CC2)C[C@@H]1C ZINC001369397423 964893189 /nfs/dbraw/zinc/89/31/89/964893189.db2.gz LAAJNFPZKBQDEE-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001369397239 964894499 /nfs/dbraw/zinc/89/44/99/964894499.db2.gz FDRUEHLGZUFFPV-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001374079844 964987462 /nfs/dbraw/zinc/98/74/62/964987462.db2.gz QHSIKEVJMVOJKS-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001374310146 965263430 /nfs/dbraw/zinc/26/34/30/965263430.db2.gz CTERSXKUIBUTFM-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001374314534 965267812 /nfs/dbraw/zinc/26/78/12/965267812.db2.gz SJKLFZYCSXUBNB-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCC(N)=O ZINC001369746931 965350054 /nfs/dbraw/zinc/35/00/54/965350054.db2.gz LOALGYKOQNQUOC-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCC(N)=O ZINC001369746931 965350062 /nfs/dbraw/zinc/35/00/62/965350062.db2.gz LOALGYKOQNQUOC-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001376260873 965448013 /nfs/dbraw/zinc/44/80/13/965448013.db2.gz YATILYWDGAXYFK-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001376266729 965457343 /nfs/dbraw/zinc/45/73/43/965457343.db2.gz AQMNCQIIRQNBHI-KBPBESRZSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN2CCC([NH2+]CC3CC3)CC2)C1 ZINC001376442259 965659473 /nfs/dbraw/zinc/65/94/73/965659473.db2.gz ZNSQHAHRURPEIC-OAHLLOKOSA-N 1 3 322.497 0.908 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCc2ccccn2)CC[N@@H+]1C ZINC001374640657 965687616 /nfs/dbraw/zinc/68/76/16/965687616.db2.gz YKUFBSOXZWBHLC-OFQRWUPVSA-N 1 3 320.437 0.379 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCc2ccccn2)CC[N@H+]1C ZINC001374640657 965687624 /nfs/dbraw/zinc/68/76/24/965687624.db2.gz YKUFBSOXZWBHLC-OFQRWUPVSA-N 1 3 320.437 0.379 20 0 DCADHO CC[C@@H](CN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1)OC ZINC001376482285 965717886 /nfs/dbraw/zinc/71/78/86/965717886.db2.gz PRGPOKMALAZQTI-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001374722772 965817010 /nfs/dbraw/zinc/81/70/10/965817010.db2.gz KFVFNUYTJPYDBR-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001376554258 965822722 /nfs/dbraw/zinc/82/27/22/965822722.db2.gz XWPJPSPLGHKDOW-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001374756148 965871963 /nfs/dbraw/zinc/87/19/63/965871963.db2.gz KXNLSAHAEAQLAP-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001374756148 965871970 /nfs/dbraw/zinc/87/19/70/965871970.db2.gz KXNLSAHAEAQLAP-UMVBOHGHSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001374759620 965877586 /nfs/dbraw/zinc/87/75/86/965877586.db2.gz VPKHLRMMIYMQPE-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860649 1013606291 /nfs/dbraw/zinc/60/62/91/1013606291.db2.gz BQHHQZJGWOHURM-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CN1CC[C@@H](NC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1=O ZINC001376602894 965878867 /nfs/dbraw/zinc/87/88/67/965878867.db2.gz LZTTYYRMXSWOIL-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001430591527 1013611009 /nfs/dbraw/zinc/61/10/09/1013611009.db2.gz FHOVFNRYCINKLZ-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001430591527 1013611014 /nfs/dbraw/zinc/61/10/14/1013611014.db2.gz FHOVFNRYCINKLZ-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CCn1cccn1)C1CC1 ZINC001370268720 965941228 /nfs/dbraw/zinc/94/12/28/965941228.db2.gz YWGXMSNZAMUQIL-OAHLLOKOSA-N 1 3 316.409 0.642 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC(=O)N1CCCC1)C1CC1 ZINC001370278618 965952454 /nfs/dbraw/zinc/95/24/54/965952454.db2.gz WERAMEZMXWLBFM-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO COc1cc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001374843144 966018385 /nfs/dbraw/zinc/01/83/85/966018385.db2.gz SHZNDPHTWUZJJX-OCCSQVGLSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001374843144 966018396 /nfs/dbraw/zinc/01/83/96/966018396.db2.gz SHZNDPHTWUZJJX-OCCSQVGLSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cn1 ZINC001370395916 966080082 /nfs/dbraw/zinc/08/00/82/966080082.db2.gz MWAOAISGUYNFHW-AWEZNQCLSA-N 1 3 306.410 0.732 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)CC)C1 ZINC001370402964 966084090 /nfs/dbraw/zinc/08/40/90/966084090.db2.gz GFUYWXYAIDBVMZ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)CC)C1 ZINC001370402964 966084102 /nfs/dbraw/zinc/08/41/02/966084102.db2.gz GFUYWXYAIDBVMZ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001374896390 966107199 /nfs/dbraw/zinc/10/71/99/966107199.db2.gz ZNUSDCMLGWAHME-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374904434 966119942 /nfs/dbraw/zinc/11/99/42/966119942.db2.gz GHJSPSHFZDUEFB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001370483670 966172578 /nfs/dbraw/zinc/17/25/78/966172578.db2.gz KVCNMBRULGQUCW-KKUMJFAQSA-N 1 3 307.442 0.706 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)C1=O ZINC001370486406 966177065 /nfs/dbraw/zinc/17/70/65/966177065.db2.gz VCUQOTQCCZVBKX-YDHLFZDLSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374977944 966191597 /nfs/dbraw/zinc/19/15/97/966191597.db2.gz SVAURNVZRIQUNO-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374977944 966191603 /nfs/dbraw/zinc/19/16/03/966191603.db2.gz SVAURNVZRIQUNO-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001370549089 966235361 /nfs/dbraw/zinc/23/53/61/966235361.db2.gz SPQUNUUDQLYNSL-IHRRRGAJSA-N 1 3 320.441 0.344 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447905010 1013637708 /nfs/dbraw/zinc/63/77/08/1013637708.db2.gz GOANFCYSOZUJRC-CHWSQXEVSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001371027518 966677355 /nfs/dbraw/zinc/67/73/55/966677355.db2.gz VVURSNOHVYKNDX-NBFUAULTSA-N 1 3 309.454 0.536 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001371027518 966677361 /nfs/dbraw/zinc/67/73/61/966677361.db2.gz VVURSNOHVYKNDX-NBFUAULTSA-N 1 3 309.454 0.536 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001371240078 966838353 /nfs/dbraw/zinc/83/83/53/966838353.db2.gz FMIGMFVSSGHVBC-SMDDNHRTSA-N 1 3 310.446 0.329 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+][C@H]1CCNC1=O ZINC001382139235 966972647 /nfs/dbraw/zinc/97/26/47/966972647.db2.gz NBERKTMGENFSPM-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001382137876 966973107 /nfs/dbraw/zinc/97/31/07/966973107.db2.gz KMUAIDQCYOGJOB-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCC(=O)NC1CC1)[NH+](C)C ZINC001382163926 966995952 /nfs/dbraw/zinc/99/59/52/966995952.db2.gz XLFLJKVRGBVRFF-SWLSCSKDSA-N 1 3 312.458 0.288 20 0 DCADHO COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001382163797 966995973 /nfs/dbraw/zinc/99/59/73/966995973.db2.gz QPTALPJUJNAESP-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO COc1ccc(CN[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001382163797 966995979 /nfs/dbraw/zinc/99/59/79/966995979.db2.gz QPTALPJUJNAESP-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001371544794 967103341 /nfs/dbraw/zinc/10/33/41/967103341.db2.gz MOZSDOJULHUTDQ-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001371545405 967106922 /nfs/dbraw/zinc/10/69/22/967106922.db2.gz XTCSJZPVNNBIHT-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001371575121 967136057 /nfs/dbraw/zinc/13/60/57/967136057.db2.gz YJLBIVXZPIWQMV-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC[C@H]1CCN(C(=O)CC[NH+](C)C)C1)c1nncn1C ZINC001371606710 967164797 /nfs/dbraw/zinc/16/47/97/967164797.db2.gz OLHKRKBMIQCSLM-CHWSQXEVSA-N 1 3 308.430 0.266 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2nnc(C)[nH]2)C1 ZINC001371655681 967207911 /nfs/dbraw/zinc/20/79/11/967207911.db2.gz BIKBFPQWQRLBRG-KGLIPLIRSA-N 1 3 322.457 0.972 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2nnc(C)[nH]2)C1 ZINC001371655681 967207919 /nfs/dbraw/zinc/20/79/19/967207919.db2.gz BIKBFPQWQRLBRG-KGLIPLIRSA-N 1 3 322.457 0.972 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001371677418 967235610 /nfs/dbraw/zinc/23/56/10/967235610.db2.gz NTTDZFGJRIZBSY-UONOGXRCSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001371677418 967235621 /nfs/dbraw/zinc/23/56/21/967235621.db2.gz NTTDZFGJRIZBSY-UONOGXRCSA-N 1 3 303.422 0.581 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001382344596 967243146 /nfs/dbraw/zinc/24/31/46/967243146.db2.gz LBNWNYSCILAKQQ-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001371887445 967419398 /nfs/dbraw/zinc/41/93/98/967419398.db2.gz LJWQXGAKHQVNHI-KGLIPLIRSA-N 1 3 322.457 0.590 20 0 DCADHO CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001382616113 967545268 /nfs/dbraw/zinc/54/52/68/967545268.db2.gz WVRYRBSMLNHINT-LSDHHAIUSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430866224 1013772297 /nfs/dbraw/zinc/77/22/97/1013772297.db2.gz UXLATWMPAJWQCF-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430866224 1013772305 /nfs/dbraw/zinc/77/23/05/1013772305.db2.gz UXLATWMPAJWQCF-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001373157727 968768759 /nfs/dbraw/zinc/76/87/59/968768759.db2.gz YXAKEOLQIFNGRD-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCCN2C)CC1 ZINC001373260571 968866629 /nfs/dbraw/zinc/86/66/29/968866629.db2.gz UGKHRUSGZFCZEZ-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001448582828 1013957546 /nfs/dbraw/zinc/95/75/46/1013957546.db2.gz GMLAAHKIKDWAGP-GXTWGEPZSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCc1ccnn1C)C1CC1 ZINC001448596123 1013962495 /nfs/dbraw/zinc/96/24/95/1013962495.db2.gz QNBCSSQTOYPJDA-HNNXBMFYSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001448888275 1014084775 /nfs/dbraw/zinc/08/47/75/1014084775.db2.gz WTNOXCAOMFYVNJ-UONOGXRCSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001448888275 1014084776 /nfs/dbraw/zinc/08/47/76/1014084776.db2.gz WTNOXCAOMFYVNJ-UONOGXRCSA-N 1 3 312.458 0.099 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCCC2)C[C@@H]1C ZINC001449022606 1014139800 /nfs/dbraw/zinc/13/98/00/1014139800.db2.gz VYVDAHCDUMUNOR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCCC2)C[C@@H]1C ZINC001449022606 1014139801 /nfs/dbraw/zinc/13/98/01/1014139801.db2.gz VYVDAHCDUMUNOR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001549166428 1014157770 /nfs/dbraw/zinc/15/77/70/1014157770.db2.gz ZLHKSYNBDLQNTJ-HZPDHXFCSA-N 1 3 307.438 0.528 20 0 DCADHO Cn1ccc(CNC[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001449061230 1014162323 /nfs/dbraw/zinc/16/23/23/1014162323.db2.gz QLXAZDIHKMBIGP-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO Cn1ccnc1[C@H]1[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CCC(=O)N1C ZINC001549337612 1014221845 /nfs/dbraw/zinc/22/18/45/1014221845.db2.gz FTSIYSXMLCKVMN-GUIRCDHDSA-N 1 3 305.426 0.942 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001449381979 1014448344 /nfs/dbraw/zinc/44/83/44/1014448344.db2.gz FQQFBPWDVXRLNJ-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H]1[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@@H+]1C ZINC001549797768 1014460402 /nfs/dbraw/zinc/46/04/02/1014460402.db2.gz VNWDVXINKYFXFS-HOTGVXAUSA-N 1 3 308.470 0.423 20 0 DCADHO CC[C@H]1[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@H+]1C ZINC001549797768 1014460408 /nfs/dbraw/zinc/46/04/08/1014460408.db2.gz VNWDVXINKYFXFS-HOTGVXAUSA-N 1 3 308.470 0.423 20 0 DCADHO O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)c1ccc2c(c1)CNC2 ZINC001550086305 1014556668 /nfs/dbraw/zinc/55/66/68/1014556668.db2.gz HCBUZVIZTBETAD-HNNXBMFYSA-N 1 3 312.377 0.346 20 0 DCADHO NCc1cn([C@H]2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)C2)nn1 ZINC001550094014 1014562701 /nfs/dbraw/zinc/56/27/01/1014562701.db2.gz HAONBIMTIVOLLW-JSGCOSHPSA-N 1 3 306.414 0.290 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001550194962 1014620732 /nfs/dbraw/zinc/62/07/32/1014620732.db2.gz SVFZANFQLJOHHN-OWCLPIDISA-N 1 3 324.469 0.758 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001550194962 1014620736 /nfs/dbraw/zinc/62/07/36/1014620736.db2.gz SVFZANFQLJOHHN-OWCLPIDISA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001449679964 1014628574 /nfs/dbraw/zinc/62/85/74/1014628574.db2.gz MJIYTFNBFJCVJU-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1c([C@@H]2CN(C[C@@H]3C[NH2+]C[C@H]3C)C[C@H]2C(N)=O)cnn1C ZINC001550349376 1014677381 /nfs/dbraw/zinc/67/73/81/1014677381.db2.gz PNMRNZFFTCGHGB-UEEZHKSASA-N 1 3 305.426 0.085 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550755160 1014841449 /nfs/dbraw/zinc/84/14/49/1014841449.db2.gz NGOYNTNPVOCAJM-HUUCEWRRSA-N 1 3 324.469 0.929 20 0 DCADHO CCN1CCCN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001550771933 1014859731 /nfs/dbraw/zinc/85/97/31/1014859731.db2.gz QREYXKFTFRZYOK-OAHLLOKOSA-N 1 3 324.469 0.882 20 0 DCADHO C[NH+](C)C1CC(CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001550980203 1014928628 /nfs/dbraw/zinc/92/86/28/1014928628.db2.gz JZUVRRKZDUVQSQ-SIWZUTFBSA-N 1 3 324.469 0.879 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001450392482 1015112390 /nfs/dbraw/zinc/11/23/90/1015112390.db2.gz KWGUVQUAQLBWBT-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001450392482 1015112395 /nfs/dbraw/zinc/11/23/95/1015112395.db2.gz KWGUVQUAQLBWBT-ZDUSSCGKSA-N 1 3 322.453 0.140 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)NC[C@@H]1CN3CCC[C@H]3CO1)CC2 ZINC001551581286 1015145838 /nfs/dbraw/zinc/14/58/38/1015145838.db2.gz MPZKVQBSGABPBX-IIQDSTNVSA-N 1 3 322.453 0.809 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001385625002 986481362 /nfs/dbraw/zinc/48/13/62/986481362.db2.gz LTFZGKOSKCJFFW-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001385741298 986563440 /nfs/dbraw/zinc/56/34/40/986563440.db2.gz PORHRNHMNOUWIS-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001386313396 987064914 /nfs/dbraw/zinc/06/49/14/987064914.db2.gz DPOXNZSIBOKXRE-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001386313396 987064922 /nfs/dbraw/zinc/06/49/22/987064922.db2.gz DPOXNZSIBOKXRE-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC001386347347 987098095 /nfs/dbraw/zinc/09/80/95/987098095.db2.gz OVEUEDDQECJYIV-MCIONIFRSA-N 1 3 314.474 0.534 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001386870145 987467817 /nfs/dbraw/zinc/46/78/17/987467817.db2.gz LRDFEQIFFABYLD-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001386870145 987467824 /nfs/dbraw/zinc/46/78/24/987467824.db2.gz LRDFEQIFFABYLD-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001387008220 987561992 /nfs/dbraw/zinc/56/19/92/987561992.db2.gz KMWIGFWSQHXYAJ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001387008220 987561999 /nfs/dbraw/zinc/56/19/99/987561999.db2.gz KMWIGFWSQHXYAJ-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001387106804 987637856 /nfs/dbraw/zinc/63/78/56/987637856.db2.gz DLBMTTWQLJRTBC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001387106804 987637860 /nfs/dbraw/zinc/63/78/60/987637860.db2.gz DLBMTTWQLJRTBC-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001387146172 987659779 /nfs/dbraw/zinc/65/97/79/987659779.db2.gz QRDULRMMRBKJCH-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NC(=O)CN1CCC[C@@H]1C ZINC001526727538 1015327401 /nfs/dbraw/zinc/32/74/01/1015327401.db2.gz CEKRXSJYNHVUJQ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001387587671 987915672 /nfs/dbraw/zinc/91/56/72/987915672.db2.gz XRWPMVMOVHVXPU-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001387743314 988109120 /nfs/dbraw/zinc/10/91/20/988109120.db2.gz KRTLTFGHVGOARI-CJNGLKHVSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001387743314 988109127 /nfs/dbraw/zinc/10/91/27/988109127.db2.gz KRTLTFGHVGOARI-CJNGLKHVSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001388723191 988539171 /nfs/dbraw/zinc/53/91/71/988539171.db2.gz AXOAQAZZDGJLNK-KKUMJFAQSA-N 1 3 319.453 0.746 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552352970 1015402732 /nfs/dbraw/zinc/40/27/32/1015402732.db2.gz XYGWDIWUZCGCKQ-HUUCEWRRSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001389279045 989065570 /nfs/dbraw/zinc/06/55/70/989065570.db2.gz PELJMPJAFLIVKV-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[NH+]1CCN(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001389431369 989239642 /nfs/dbraw/zinc/23/96/42/989239642.db2.gz VLOLUHRKYBGZAN-INIZCTEOSA-N 1 3 312.502 0.962 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001389498441 989332236 /nfs/dbraw/zinc/33/22/36/989332236.db2.gz KFFIPYFREIWZFJ-MELADBBJSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001389498441 989332247 /nfs/dbraw/zinc/33/22/47/989332247.db2.gz KFFIPYFREIWZFJ-MELADBBJSA-N 1 3 312.458 0.145 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001389794177 989584951 /nfs/dbraw/zinc/58/49/51/989584951.db2.gz AKOOMNFKGQSXFL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1NCCN(C(=O)c2cn([C@@H]3CCCC[C@H]3[NH3+])nn2)[C@H]1C ZINC001552692497 1015492186 /nfs/dbraw/zinc/49/21/86/1015492186.db2.gz DYBLRKSZCWBCMK-CIQGVGRVSA-N 1 3 306.414 0.543 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552695964 1015496523 /nfs/dbraw/zinc/49/65/23/1015496523.db2.gz YPFAGXJLSDCHNF-BZPMIXESSA-N 1 3 306.414 0.545 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)C23CC[NH+](CC2)C3)CC1)N(C)C ZINC001389915794 989679053 /nfs/dbraw/zinc/67/90/53/989679053.db2.gz XOBJERGMFKSXGF-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1)N(C)C ZINC001389964197 989715527 /nfs/dbraw/zinc/71/55/27/989715527.db2.gz ZLRHSNMMVZYIFE-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001389987830 989731372 /nfs/dbraw/zinc/73/13/72/989731372.db2.gz WCIZBZAMLURNIS-RFQIPJPRSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001390083121 989800517 /nfs/dbraw/zinc/80/05/17/989800517.db2.gz YPUHSPCKGYERSG-UHFFFAOYSA-N 1 3 324.469 0.338 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001390404847 990063785 /nfs/dbraw/zinc/06/37/85/990063785.db2.gz ORKKDTVIXKNQJL-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001390404847 990063793 /nfs/dbraw/zinc/06/37/93/990063793.db2.gz ORKKDTVIXKNQJL-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCCC1 ZINC001390471892 990130302 /nfs/dbraw/zinc/13/03/02/990130302.db2.gz AQXMZWUWELZYHC-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001390484084 990139816 /nfs/dbraw/zinc/13/98/16/990139816.db2.gz RKTNNDFTVUDAOE-JSGCOSHPSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001390503326 990156668 /nfs/dbraw/zinc/15/66/68/990156668.db2.gz DYEUCRSYZQAQDL-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001390511379 990162768 /nfs/dbraw/zinc/16/27/68/990162768.db2.gz PNMJKSKKZZODMU-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001390511379 990162770 /nfs/dbraw/zinc/16/27/70/990162770.db2.gz PNMJKSKKZZODMU-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001391224081 990682889 /nfs/dbraw/zinc/68/28/89/990682889.db2.gz CSKUJMGOYYFEQZ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001391365426 990783978 /nfs/dbraw/zinc/78/39/78/990783978.db2.gz OKFSOHGJPCSUOD-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001391365426 990783979 /nfs/dbraw/zinc/78/39/79/990783979.db2.gz OKFSOHGJPCSUOD-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CO[C@@H](C)CN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001391513518 990906767 /nfs/dbraw/zinc/90/67/67/990906767.db2.gz NWQWNFNNTDWAAE-ZDUSSCGKSA-N 1 3 313.442 0.180 20 0 DCADHO C[C@@H]([NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1)C(N)=O ZINC001391774741 991173288 /nfs/dbraw/zinc/17/32/88/991173288.db2.gz VZNFMPLDHHXEFM-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CC(=O)N2CCC2)CCCC1 ZINC001391779205 991176700 /nfs/dbraw/zinc/17/67/00/991176700.db2.gz JSRHBNZUZBSXPP-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001391794699 991188442 /nfs/dbraw/zinc/18/84/42/991188442.db2.gz GUOFEDNKPJQPIW-BBRMVZONSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001391863253 991233785 /nfs/dbraw/zinc/23/37/85/991233785.db2.gz RLVVRJKZZGMAFZ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+][C@H](C)C(N)=O ZINC001391886886 991262987 /nfs/dbraw/zinc/26/29/87/991262987.db2.gz KQTWFDMYDKLCIG-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)CN[C@H](C)c1cnccn1 ZINC001391950885 991321381 /nfs/dbraw/zinc/32/13/81/991321381.db2.gz PRRQHGFVCIXRHX-ZIAGYGMSSA-N 1 3 317.437 0.975 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCCN1CC ZINC001392138625 991536641 /nfs/dbraw/zinc/53/66/41/991536641.db2.gz OOJCRXGPOJAOTP-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCc1ccccn1)[NH+](C)C ZINC001392421728 991906625 /nfs/dbraw/zinc/90/66/25/991906625.db2.gz MWXAXDOBRVCJHG-GJZGRUSLSA-N 1 3 308.426 0.235 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CCN[C@@H](C)C(N)=O)C1 ZINC001392452378 991947501 /nfs/dbraw/zinc/94/75/01/991947501.db2.gz DOJBEABZWOGUKB-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)CCN[C@@H](C)C(N)=O)C1 ZINC001392452378 991947511 /nfs/dbraw/zinc/94/75/11/991947511.db2.gz DOJBEABZWOGUKB-UONOGXRCSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392488635 991996780 /nfs/dbraw/zinc/99/67/80/991996780.db2.gz HPDMBCQKLUZFFN-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392488635 991996790 /nfs/dbraw/zinc/99/67/90/991996790.db2.gz HPDMBCQKLUZFFN-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001392510673 992027883 /nfs/dbraw/zinc/02/78/83/992027883.db2.gz GGBFQSMXUXMXQS-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392529781 992052421 /nfs/dbraw/zinc/05/24/21/992052421.db2.gz JCJCLIPBFHISCY-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392529781 992052429 /nfs/dbraw/zinc/05/24/29/992052429.db2.gz JCJCLIPBFHISCY-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392609348 992156245 /nfs/dbraw/zinc/15/62/45/992156245.db2.gz ZNEHUKONANNNPM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392609348 992156250 /nfs/dbraw/zinc/15/62/50/992156250.db2.gz ZNEHUKONANNNPM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001393054041 992653468 /nfs/dbraw/zinc/65/34/68/992653468.db2.gz HNWAXFXKSQJNBQ-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001393097773 992680132 /nfs/dbraw/zinc/68/01/32/992680132.db2.gz WOXYLPQPOMKKRA-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN(C)C(C)C)CC2)C1 ZINC001393097773 992680139 /nfs/dbraw/zinc/68/01/39/992680139.db2.gz WOXYLPQPOMKKRA-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO COCCN1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001393122373 992699429 /nfs/dbraw/zinc/69/94/29/992699429.db2.gz NRPIAUSUJATOFF-INIZCTEOSA-N 1 3 313.442 0.324 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001393169321 992726387 /nfs/dbraw/zinc/72/63/87/992726387.db2.gz YGYABIFYXLNSDN-IJEWVQPXSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001393335539 992893006 /nfs/dbraw/zinc/89/30/06/992893006.db2.gz BAUKCDYNIIRZRX-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001393335539 992893007 /nfs/dbraw/zinc/89/30/07/992893007.db2.gz BAUKCDYNIIRZRX-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NCc1ccn(C)n1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001393386411 992936184 /nfs/dbraw/zinc/93/61/84/992936184.db2.gz NJVTYFOOZSGZCA-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001393453266 993002704 /nfs/dbraw/zinc/00/27/04/993002704.db2.gz LLAJXROJUWFGFJ-ZFWWWQNUSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC ZINC001393521990 993051456 /nfs/dbraw/zinc/05/14/56/993051456.db2.gz BETHMKNVEKQXSY-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CNC1(CNC(=O)CCC[NH+]2CCCCC2)CCC1 ZINC001393568624 993090382 /nfs/dbraw/zinc/09/03/82/993090382.db2.gz FPMTZNUXNMWDIQ-UHFFFAOYSA-N 1 3 324.469 0.627 20 0 DCADHO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN2CCCC2)nn1 ZINC001393826935 993283195 /nfs/dbraw/zinc/28/31/95/993283195.db2.gz NINANDKYTBYNQI-ZDUSSCGKSA-N 1 3 321.425 0.565 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001393905389 993334365 /nfs/dbraw/zinc/33/43/65/993334365.db2.gz DDMZPOIKFZJRKO-HSBZDZAISA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)N(C)CCn1cncn1)[NH+](C)C ZINC001394076219 993458092 /nfs/dbraw/zinc/45/80/92/993458092.db2.gz LEWZRKWIPVJZCM-KGLIPLIRSA-N 1 3 310.446 0.301 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)CCn1cncn1 ZINC001394126652 993498424 /nfs/dbraw/zinc/49/84/24/993498424.db2.gz WEXBZXKWWQVGFZ-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)CCn1cncn1 ZINC001394126652 993498427 /nfs/dbraw/zinc/49/84/27/993498427.db2.gz WEXBZXKWWQVGFZ-ZIAGYGMSSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001394193616 993534894 /nfs/dbraw/zinc/53/48/94/993534894.db2.gz UUNVTIOHWUHSJB-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001394443300 993708878 /nfs/dbraw/zinc/70/88/78/993708878.db2.gz UMRASUJUFWCDKV-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001394450339 993718854 /nfs/dbraw/zinc/71/88/54/993718854.db2.gz HGAFHUIULNQPKA-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394450339 993718862 /nfs/dbraw/zinc/71/88/62/993718862.db2.gz HGAFHUIULNQPKA-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)NCC(N)=O ZINC001394551771 993822991 /nfs/dbraw/zinc/82/29/91/993822991.db2.gz WZKIXWUVMIDYRT-GFCCVEGCSA-N 1 3 306.410 0.284 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001394664081 993988429 /nfs/dbraw/zinc/98/84/29/993988429.db2.gz AVCLPHWPZZKXRN-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCn2cccn2)[C@@H]1C ZINC001394669029 993998159 /nfs/dbraw/zinc/99/81/59/993998159.db2.gz DQEBRBPBGOATSK-LSDHHAIUSA-N 1 3 307.442 0.802 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001394671580 993999756 /nfs/dbraw/zinc/99/97/56/993999756.db2.gz QLHMXRHDZMSLNK-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001394671580 993999767 /nfs/dbraw/zinc/99/97/67/993999767.db2.gz QLHMXRHDZMSLNK-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCc1ccnn1C ZINC001394718508 994051880 /nfs/dbraw/zinc/05/18/80/994051880.db2.gz SIOYKVOAFCPLGP-GOEBONIOSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001400040352 994091408 /nfs/dbraw/zinc/09/14/08/994091408.db2.gz NUGLBFUJFQCZCG-IHRRRGAJSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC001400040352 994091422 /nfs/dbraw/zinc/09/14/22/994091422.db2.gz NUGLBFUJFQCZCG-IHRRRGAJSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001400066457 994126753 /nfs/dbraw/zinc/12/67/53/994126753.db2.gz FTDGSICFJCJXEY-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CCO)c2ccccc2)CCC1 ZINC001400090043 994146231 /nfs/dbraw/zinc/14/62/31/994146231.db2.gz SQXWZWSVWTWSAH-HNNXBMFYSA-N 1 3 305.422 0.910 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C(C)(C)C)N(C)C ZINC001394833906 994195820 /nfs/dbraw/zinc/19/58/20/994195820.db2.gz KNEOCXZPMCRGQJ-NWDGAFQWSA-N 1 3 300.447 0.193 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001400182708 994245959 /nfs/dbraw/zinc/24/59/59/994245959.db2.gz HDMGVWXCDRXFIS-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001400182708 994245970 /nfs/dbraw/zinc/24/59/70/994245970.db2.gz HDMGVWXCDRXFIS-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)NCC2CC(NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001394915305 994265097 /nfs/dbraw/zinc/26/50/97/994265097.db2.gz YXKJAKANVQHNAL-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001400445831 994524712 /nfs/dbraw/zinc/52/47/12/994524712.db2.gz OTTHKWAXFRNRFT-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001395311568 994582637 /nfs/dbraw/zinc/58/26/37/994582637.db2.gz QYTFOGOYDRHZMW-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001395311568 994582651 /nfs/dbraw/zinc/58/26/51/994582651.db2.gz QYTFOGOYDRHZMW-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1ccc(CN2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001400621728 994715308 /nfs/dbraw/zinc/71/53/08/994715308.db2.gz UUDDMVWXEIGHGV-AWEZNQCLSA-N 1 3 306.410 0.028 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001395587915 994781709 /nfs/dbraw/zinc/78/17/09/994781709.db2.gz ZMSJUQYPGAMWDM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001395587915 994781721 /nfs/dbraw/zinc/78/17/21/994781721.db2.gz ZMSJUQYPGAMWDM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001395630270 994816981 /nfs/dbraw/zinc/81/69/81/994816981.db2.gz WGYLKTWYIIKHEQ-ZFWWWQNUSA-N 1 3 314.474 0.487 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001507037281 1015911406 /nfs/dbraw/zinc/91/14/06/1015911406.db2.gz SIJDBFFZJKCINQ-HUUCEWRRSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001401087613 995163612 /nfs/dbraw/zinc/16/36/12/995163612.db2.gz QSACZOKDVRDEOG-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001396832979 995636393 /nfs/dbraw/zinc/63/63/93/995636393.db2.gz MFAJSWWTZAPQJC-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001396832979 995636398 /nfs/dbraw/zinc/63/63/98/995636398.db2.gz MFAJSWWTZAPQJC-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001492854248 995648328 /nfs/dbraw/zinc/64/83/28/995648328.db2.gz RMAGPCYEPDNATL-CYBMUJFWSA-N 1 3 309.414 0.310 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001492854248 995648332 /nfs/dbraw/zinc/64/83/32/995648332.db2.gz RMAGPCYEPDNATL-CYBMUJFWSA-N 1 3 309.414 0.310 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)N(C)C ZINC001397103801 995797069 /nfs/dbraw/zinc/79/70/69/995797069.db2.gz VBXDTOCLGQFWCE-MBNYWOFBSA-N 1 3 308.430 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001397119939 995805799 /nfs/dbraw/zinc/80/57/99/995805799.db2.gz KXUKHWZJNQCDEQ-MGPQQGTHSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001397167670 995836652 /nfs/dbraw/zinc/83/66/52/995836652.db2.gz FFVPJNFZYRHDQR-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCc1ccnn1C ZINC001507125313 1016006054 /nfs/dbraw/zinc/00/60/54/1016006054.db2.gz HPEQVHMAVRDVFA-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCc1ccnn1C ZINC001507125313 1016006067 /nfs/dbraw/zinc/00/60/67/1016006067.db2.gz HPEQVHMAVRDVFA-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCN(CC)C1=O ZINC001507149929 1016033304 /nfs/dbraw/zinc/03/33/04/1016033304.db2.gz YNVHGTZYRRYBKL-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001398445442 996519500 /nfs/dbraw/zinc/51/95/00/996519500.db2.gz KWENLCLEPSXHKV-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001398445442 996519506 /nfs/dbraw/zinc/51/95/06/996519506.db2.gz KWENLCLEPSXHKV-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398473736 996534026 /nfs/dbraw/zinc/53/40/26/996534026.db2.gz NLWGGTBLZFFXFL-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001398504569 996543937 /nfs/dbraw/zinc/54/39/37/996543937.db2.gz NGVJOUJBSKKWCF-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001398523048 996551960 /nfs/dbraw/zinc/55/19/60/996551960.db2.gz FESLYEKYMQOODB-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001398523048 996551964 /nfs/dbraw/zinc/55/19/64/996551964.db2.gz FESLYEKYMQOODB-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001398522970 996552395 /nfs/dbraw/zinc/55/23/95/996552395.db2.gz BDDMRBCBNJESKJ-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001398522970 996552397 /nfs/dbraw/zinc/55/23/97/996552397.db2.gz BDDMRBCBNJESKJ-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001398543641 996562322 /nfs/dbraw/zinc/56/23/22/996562322.db2.gz YHQZXZGPYRNRES-JOCQHMNTSA-N 1 3 320.441 0.519 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001398631236 996613226 /nfs/dbraw/zinc/61/32/26/996613226.db2.gz XIMZJIHEQJBQSO-MCIONIFRSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]21 ZINC001398828521 996706057 /nfs/dbraw/zinc/70/60/57/996706057.db2.gz LBKNNHWQYGYEBA-DTJSUFBGSA-N 1 3 321.465 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]21 ZINC001398828521 996706060 /nfs/dbraw/zinc/70/60/60/996706060.db2.gz LBKNNHWQYGYEBA-DTJSUFBGSA-N 1 3 321.465 0.800 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCn1cccn1 ZINC001399031321 996860902 /nfs/dbraw/zinc/86/09/02/996860902.db2.gz PMMGPTCCPNHPGE-CQSZACIVSA-N 1 3 309.458 0.955 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001404319239 996973573 /nfs/dbraw/zinc/97/35/73/996973573.db2.gz MDYCYWUUTLILHT-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001507251520 1016184034 /nfs/dbraw/zinc/18/40/34/1016184034.db2.gz DNCSWVOQDAUDKI-WBVHZDCISA-N 1 3 319.449 0.904 20 0 DCADHO Cc1ccccc1CN[C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507251520 1016184043 /nfs/dbraw/zinc/18/40/43/1016184043.db2.gz DNCSWVOQDAUDKI-WBVHZDCISA-N 1 3 319.449 0.904 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001405480404 998264711 /nfs/dbraw/zinc/26/47/11/998264711.db2.gz JVYBBKMCRCGSNX-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001511202070 1016211430 /nfs/dbraw/zinc/21/14/30/1016211430.db2.gz DNQWKBWZUARAPP-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H]1CCCNC1=O ZINC001401127222 1000212294 /nfs/dbraw/zinc/21/22/94/1000212294.db2.gz XBDHVHGCXZAZFG-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](F)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507485077 1016395348 /nfs/dbraw/zinc/39/53/48/1016395348.db2.gz PWLITVUNXKYTEZ-CHWSQXEVSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1)N(C)C ZINC001401185298 1000255183 /nfs/dbraw/zinc/25/51/83/1000255183.db2.gz XFQXBSSAFBXQQY-QWHCGFSZSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401223620 1000286055 /nfs/dbraw/zinc/28/60/55/1000286055.db2.gz VYSOTOBGQSPUGF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001401250684 1000308439 /nfs/dbraw/zinc/30/84/39/1000308439.db2.gz GEWGRLCVYLFWRD-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C(C)C)N(C)C ZINC001401339412 1000360021 /nfs/dbraw/zinc/36/00/21/1000360021.db2.gz BFRFVLRNYOIOMI-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001418665144 1000431220 /nfs/dbraw/zinc/43/12/20/1000431220.db2.gz IKTGOXZUEBIGIJ-OKILXGFUSA-N 1 3 322.457 0.623 20 0 DCADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001401593979 1000527801 /nfs/dbraw/zinc/52/78/01/1000527801.db2.gz JMUOUWHKLOQXPH-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)(C)C ZINC001401658838 1000598773 /nfs/dbraw/zinc/59/87/73/1000598773.db2.gz HDSFPLTZJHXJCQ-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401658263 1000599645 /nfs/dbraw/zinc/59/96/45/1000599645.db2.gz AASOLZRNKUGBCA-TZMCWYRMSA-N 1 3 300.447 0.192 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)CC(C)(C)C ZINC001401706844 1000644377 /nfs/dbraw/zinc/64/43/77/1000644377.db2.gz KETORXLVXJXGDF-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001401863799 1000798559 /nfs/dbraw/zinc/79/85/59/1000798559.db2.gz HDRGQMXYLQJEAT-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001419196839 1000871780 /nfs/dbraw/zinc/87/17/80/1000871780.db2.gz SLCAPGMXQXNYNN-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001419237266 1000904534 /nfs/dbraw/zinc/90/45/34/1000904534.db2.gz CSLZLIQBHWHCTQ-HOCLYGCPSA-N 1 3 321.469 0.789 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402015524 1000946860 /nfs/dbraw/zinc/94/68/60/1000946860.db2.gz RDJBUYVVGVYKLD-YOEHRIQHSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402015524 1000946865 /nfs/dbraw/zinc/94/68/65/1000946865.db2.gz RDJBUYVVGVYKLD-YOEHRIQHSA-N 1 3 324.469 0.517 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)C2CC[NH+](C)CC2)C2CC2)cn1 ZINC001419293704 1000954832 /nfs/dbraw/zinc/95/48/32/1000954832.db2.gz WDSBAJLTCWQFQZ-MRXNPFEDSA-N 1 3 319.453 0.746 20 0 DCADHO CN(C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCCNC1=O ZINC001419320081 1000973418 /nfs/dbraw/zinc/97/34/18/1000973418.db2.gz PPPDLWHDYIIJFD-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](NCC(=O)N1CCC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402051696 1000974952 /nfs/dbraw/zinc/97/49/52/1000974952.db2.gz SIYKTTZDHVOAGQ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1nncc1CNCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001419323939 1000976258 /nfs/dbraw/zinc/97/62/58/1000976258.db2.gz VZIGNXRZVYJSNE-CYBMUJFWSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1nncc1CNCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001419323939 1000976265 /nfs/dbraw/zinc/97/62/65/1000976265.db2.gz VZIGNXRZVYJSNE-CYBMUJFWSA-N 1 3 320.441 0.285 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001419423908 1001038576 /nfs/dbraw/zinc/03/85/76/1001038576.db2.gz DHYZSDZKPZMRDK-CQSZACIVSA-N 1 3 307.442 0.843 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001419530164 1001119759 /nfs/dbraw/zinc/11/97/59/1001119759.db2.gz WXYSNXOUXVKDEX-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001419544536 1001129071 /nfs/dbraw/zinc/12/90/71/1001129071.db2.gz RCAMHVVZLYXNMH-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419544536 1001129074 /nfs/dbraw/zinc/12/90/74/1001129074.db2.gz RCAMHVVZLYXNMH-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCC1)N(C)C ZINC001419601140 1001165396 /nfs/dbraw/zinc/16/53/96/1001165396.db2.gz OXYOGAJGVZLJPJ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001419613213 1001172303 /nfs/dbraw/zinc/17/23/03/1001172303.db2.gz KOBADDRTRHHANB-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C1CC1)C1CCC1 ZINC001402317920 1001210889 /nfs/dbraw/zinc/21/08/89/1001210889.db2.gz RLUUMZXSHFGCKC-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)N(C)C ZINC001402318789 1001212343 /nfs/dbraw/zinc/21/23/43/1001212343.db2.gz TUBDIKWLMJOTGY-TZMCWYRMSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CN(C)CC(C)(C)C ZINC001419720453 1001249797 /nfs/dbraw/zinc/24/97/97/1001249797.db2.gz MATDALLWSADENN-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001402396059 1001277473 /nfs/dbraw/zinc/27/74/73/1001277473.db2.gz CDODRKCVFUYALA-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nccn1C ZINC001402418782 1001291423 /nfs/dbraw/zinc/29/14/23/1001291423.db2.gz OGXYAFUQOOTCNS-UONOGXRCSA-N 1 3 307.442 0.556 20 0 DCADHO C[C@H]([NH2+]CCn1cccn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001402421066 1001292033 /nfs/dbraw/zinc/29/20/33/1001292033.db2.gz YEIARQFFCTUUGR-HOTGVXAUSA-N 1 3 319.453 0.806 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2nncn2C)C1 ZINC001402438307 1001306820 /nfs/dbraw/zinc/30/68/20/1001306820.db2.gz UJPXXQQXIZVUPA-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)NCc2nncn2C)C1 ZINC001402438307 1001306824 /nfs/dbraw/zinc/30/68/24/1001306824.db2.gz UJPXXQQXIZVUPA-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001419835396 1001343764 /nfs/dbraw/zinc/34/37/64/1001343764.db2.gz CIAPLGXJVMWIOF-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001402524593 1001382987 /nfs/dbraw/zinc/38/29/87/1001382987.db2.gz COUSUBMJILDDCN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N(C)C1CC1 ZINC001419934258 1001416350 /nfs/dbraw/zinc/41/63/50/1001416350.db2.gz XJMWSBTYRHMDFP-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001402612863 1001441520 /nfs/dbraw/zinc/44/15/20/1001441520.db2.gz BEVSXBFDALZSOB-HNNXBMFYSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001402612863 1001441522 /nfs/dbraw/zinc/44/15/22/1001441522.db2.gz BEVSXBFDALZSOB-HNNXBMFYSA-N 1 3 322.457 0.589 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001402628839 1001449246 /nfs/dbraw/zinc/44/92/46/1001449246.db2.gz CQCWGYBPHAINFK-OKILXGFUSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001402693503 1001472667 /nfs/dbraw/zinc/47/26/67/1001472667.db2.gz OORMYMNOTRKGGY-TZMCWYRMSA-N 1 3 322.457 0.954 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001402697525 1001474081 /nfs/dbraw/zinc/47/40/81/1001474081.db2.gz VMBGRYPREZJGDK-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCn2cccn2)C1 ZINC001402769499 1001495209 /nfs/dbraw/zinc/49/52/09/1001495209.db2.gz IZCVIUBHKMGMCE-LSDHHAIUSA-N 1 3 307.442 0.660 20 0 DCADHO CCCN(C)CC(=O)NC1(CO)CC[NH+](CCCF)CC1 ZINC001402892525 1001559278 /nfs/dbraw/zinc/55/92/78/1001559278.db2.gz MTPUHRXHLBLNAT-UHFFFAOYSA-N 1 3 303.422 0.631 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cncn1C ZINC001402897805 1001563575 /nfs/dbraw/zinc/56/35/75/1001563575.db2.gz ZCTIYUCXHLOINK-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1cncn1C ZINC001402897805 1001563576 /nfs/dbraw/zinc/56/35/76/1001563576.db2.gz ZCTIYUCXHLOINK-ZFWWWQNUSA-N 1 3 307.442 0.887 20 0 DCADHO CN(CCNC(=O)C1CC1)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001402938976 1001590965 /nfs/dbraw/zinc/59/09/65/1001590965.db2.gz SUKQQCJIUJZQGK-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N[C@@H]2CCNC2=O)CC1 ZINC001403074224 1001661786 /nfs/dbraw/zinc/66/17/86/1001661786.db2.gz BIUWYPBVOQMBGG-GXTWGEPZSA-N 1 3 310.442 0.090 20 0 DCADHO CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001403077245 1001663308 /nfs/dbraw/zinc/66/33/08/1001663308.db2.gz HFALZIGQYKACCA-CYBMUJFWSA-N 1 3 312.458 0.148 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001403079819 1001664891 /nfs/dbraw/zinc/66/48/91/1001664891.db2.gz HRUYNSLFKMSOPA-CHWSQXEVSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@H]1CCNC1=O ZINC001403088224 1001668660 /nfs/dbraw/zinc/66/86/60/1001668660.db2.gz RRPYCSGFCOFUSG-WFASDCNBSA-N 1 3 322.453 0.091 20 0 DCADHO COC[C@@H](O)CN1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001403320398 1001806347 /nfs/dbraw/zinc/80/63/47/1001806347.db2.gz ITDAQRQEHOSGNV-SNPRPXQTSA-N 1 3 315.458 0.016 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]32)CCC1 ZINC001403383858 1001911533 /nfs/dbraw/zinc/91/15/33/1001911533.db2.gz IGTPJFLDIFTVLU-YHUYYLMFSA-N 1 3 321.465 0.801 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)CCC1 ZINC001403383858 1001911543 /nfs/dbraw/zinc/91/15/43/1001911543.db2.gz IGTPJFLDIFTVLU-YHUYYLMFSA-N 1 3 321.465 0.801 20 0 DCADHO CN(CCn1cccn1)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001424721891 1001952109 /nfs/dbraw/zinc/95/21/09/1001952109.db2.gz XEBGXCDWQOASKL-OAHLLOKOSA-N 1 3 307.442 0.758 20 0 DCADHO CCn1ccc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001403469782 1001997985 /nfs/dbraw/zinc/99/79/85/1001997985.db2.gz QBSFYEWKFBUAER-KGLIPLIRSA-N 1 3 307.442 0.839 20 0 DCADHO CCn1ccc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001403469782 1001997994 /nfs/dbraw/zinc/99/79/94/1001997994.db2.gz QBSFYEWKFBUAER-KGLIPLIRSA-N 1 3 307.442 0.839 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001403551324 1002126581 /nfs/dbraw/zinc/12/65/81/1002126581.db2.gz JKDIKSTUXWHZFB-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001420284064 1002164897 /nfs/dbraw/zinc/16/48/97/1002164897.db2.gz MHFPFGKOLFVTIK-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001420284064 1002164900 /nfs/dbraw/zinc/16/49/00/1002164900.db2.gz MHFPFGKOLFVTIK-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@H]1CCN(C)C1=O ZINC001403581600 1002169556 /nfs/dbraw/zinc/16/95/56/1002169556.db2.gz YEIGVVLTQYFALF-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001403583173 1002172264 /nfs/dbraw/zinc/17/22/64/1002172264.db2.gz MTBIIVNIEYZGRQ-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCCNC1=O ZINC001403589541 1002180326 /nfs/dbraw/zinc/18/03/26/1002180326.db2.gz OPJHIAGPRKRNSI-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001420312091 1002204515 /nfs/dbraw/zinc/20/45/15/1002204515.db2.gz RMRNFSKRMOBFJM-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001403619638 1002222400 /nfs/dbraw/zinc/22/24/00/1002222400.db2.gz CXRUSJHCAIFFBF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001420338686 1002247911 /nfs/dbraw/zinc/24/79/11/1002247911.db2.gz MLGMBYBWWINRHZ-MNOVXSKESA-N 1 3 308.430 0.610 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)CCn2cncn2)CC[N@@H+]1C ZINC001420388278 1002330448 /nfs/dbraw/zinc/33/04/48/1002330448.db2.gz SQEQIZWNSZOBPP-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN(CC)CCn2cncn2)CC[N@H+]1C ZINC001420388278 1002330455 /nfs/dbraw/zinc/33/04/55/1002330455.db2.gz SQEQIZWNSZOBPP-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001425110140 1002369351 /nfs/dbraw/zinc/36/93/51/1002369351.db2.gz XAXXYTSWXMDBBD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425110140 1002369362 /nfs/dbraw/zinc/36/93/62/1002369362.db2.gz XAXXYTSWXMDBBD-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)NCC)C1 ZINC001420452987 1002440258 /nfs/dbraw/zinc/44/02/58/1002440258.db2.gz KRFBSTVOXWWOKV-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)NCC)C1 ZINC001420452987 1002440262 /nfs/dbraw/zinc/44/02/62/1002440262.db2.gz KRFBSTVOXWWOKV-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001403737940 1002445446 /nfs/dbraw/zinc/44/54/46/1002445446.db2.gz YIRRRKSZSVYFKX-SJORKVTESA-N 1 3 319.449 0.904 20 0 DCADHO Cc1ccc(CN[C@H](CO)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001403737940 1002445458 /nfs/dbraw/zinc/44/54/58/1002445458.db2.gz YIRRRKSZSVYFKX-SJORKVTESA-N 1 3 319.449 0.904 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC001403782518 1002515858 /nfs/dbraw/zinc/51/58/58/1002515858.db2.gz ZTXQWRZJRLGQGA-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001420560031 1002615099 /nfs/dbraw/zinc/61/50/99/1002615099.db2.gz YYBNXDUWXGZILO-GXTWGEPZSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC001420560031 1002615102 /nfs/dbraw/zinc/61/51/02/1002615102.db2.gz YYBNXDUWXGZILO-GXTWGEPZSA-N 1 3 308.426 0.860 20 0 DCADHO CN(C)C(=O)CN(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001425439264 1002676298 /nfs/dbraw/zinc/67/62/98/1002676298.db2.gz FVMFGVXAKADLPL-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001508137256 1016668579 /nfs/dbraw/zinc/66/85/79/1016668579.db2.gz QSOLMOBLCSHIMS-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001420729511 1002872682 /nfs/dbraw/zinc/87/26/82/1002872682.db2.gz SWNMRMSLJWBJEL-LBPRGKRZSA-N 1 3 300.447 0.147 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN1C[C@@H]1CCc2ncnn21 ZINC001404010652 1002898242 /nfs/dbraw/zinc/89/82/42/1002898242.db2.gz OXLNTTIVZJNAHD-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO COc1ccc(CN[C@H](C)CN(C)C(=O)CC[NH+](C)C)cn1 ZINC001425634887 1002915197 /nfs/dbraw/zinc/91/51/97/1002915197.db2.gz JWBOHXLWLFFVNV-CYBMUJFWSA-N 1 3 308.426 0.978 20 0 DCADHO C[C@@H](NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1)C1CC1 ZINC001425685540 1002956657 /nfs/dbraw/zinc/95/66/57/1002956657.db2.gz RNCMVTCCJUNHDZ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](N[C@@H](CO)CNC(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001425813586 1003139308 /nfs/dbraw/zinc/13/93/08/1003139308.db2.gz ZAJKFWYLCAXXNS-IUODEOHRSA-N 1 3 311.401 0.905 20 0 DCADHO CC(C)c1nc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)n[nH]1 ZINC001425878320 1003211827 /nfs/dbraw/zinc/21/18/27/1003211827.db2.gz GDRMZAMXSFAIKN-CHWSQXEVSA-N 1 3 322.457 0.959 20 0 DCADHO CCCC[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001421006321 1003228883 /nfs/dbraw/zinc/22/88/83/1003228883.db2.gz ZGLLNRBBXIPMES-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CCCC[C@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)C(N)=O ZINC001421006321 1003228888 /nfs/dbraw/zinc/22/88/88/1003228888.db2.gz ZGLLNRBBXIPMES-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](NCc1nncn1C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001405985476 1003242351 /nfs/dbraw/zinc/24/23/51/1003242351.db2.gz LALXJRPOHSACOV-UONOGXRCSA-N 1 3 322.457 0.484 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001421114277 1003333620 /nfs/dbraw/zinc/33/36/20/1003333620.db2.gz DVPMIPJMGQRTCJ-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC(C)(C)C ZINC001421132013 1003365200 /nfs/dbraw/zinc/36/52/00/1003365200.db2.gz YYSIJYCDIXCKGQ-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001428217040 1003768765 /nfs/dbraw/zinc/76/87/65/1003768765.db2.gz FTGMWXVALOMQFK-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001428217040 1003768771 /nfs/dbraw/zinc/76/87/71/1003768771.db2.gz FTGMWXVALOMQFK-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001428572976 1004028251 /nfs/dbraw/zinc/02/82/51/1004028251.db2.gz DOJFHUHJAFDTNU-VXGBXAGGSA-N 1 3 323.441 0.612 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001407095098 1004373613 /nfs/dbraw/zinc/37/36/13/1004373613.db2.gz PXXYRFUYFNZBSD-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001407100592 1004381947 /nfs/dbraw/zinc/38/19/47/1004381947.db2.gz DIOWIMLINYQAPU-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001407100592 1004381953 /nfs/dbraw/zinc/38/19/53/1004381953.db2.gz DIOWIMLINYQAPU-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1CC ZINC001407108714 1004389448 /nfs/dbraw/zinc/38/94/48/1004389448.db2.gz IYFCLSQMHAASJV-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001407218722 1004477308 /nfs/dbraw/zinc/47/73/08/1004477308.db2.gz DDAPWKSHFPGCOK-OAHLLOKOSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C1(C(=O)N(C)CCNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001429386540 1004566350 /nfs/dbraw/zinc/56/63/50/1004566350.db2.gz NMWYZQGMMURQRJ-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001407543392 1004721296 /nfs/dbraw/zinc/72/12/96/1004721296.db2.gz PVCZOBDWIVBGPA-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)CCC(=O)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001407863389 1004907756 /nfs/dbraw/zinc/90/77/56/1004907756.db2.gz VXODGNBOFFDKCD-HNNXBMFYSA-N 1 3 306.410 0.350 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001473262802 1016918411 /nfs/dbraw/zinc/91/84/11/1016918411.db2.gz FBPUNUYUCIOCOA-MSOLQXFVSA-N 1 3 324.513 0.667 20 0 DCADHO C[C@@H](CN1CCOCC1)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001473262802 1016918414 /nfs/dbraw/zinc/91/84/14/1016918414.db2.gz FBPUNUYUCIOCOA-MSOLQXFVSA-N 1 3 324.513 0.667 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001408316287 1005155804 /nfs/dbraw/zinc/15/58/04/1005155804.db2.gz RWWHVTNTYNIVCF-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001414932732 1005426128 /nfs/dbraw/zinc/42/61/28/1005426128.db2.gz RNLPPVIAMZRTOB-LXTVHRRPSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001414932732 1005426129 /nfs/dbraw/zinc/42/61/29/1005426129.db2.gz RNLPPVIAMZRTOB-LXTVHRRPSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]21)N(C)C ZINC001415077710 1005452017 /nfs/dbraw/zinc/45/20/17/1005452017.db2.gz SBUZUHAKNUDDBK-KNCOVGOOSA-N 1 3 324.469 0.241 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001416909432 1005757870 /nfs/dbraw/zinc/75/78/70/1005757870.db2.gz BUCWVQZABDICAG-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001417797126 1005892949 /nfs/dbraw/zinc/89/29/49/1005892949.db2.gz DOABDZDXHKTIBN-XDQVBPFNSA-N 1 3 310.442 0.090 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CCCC3)C2)C1 ZINC001418044358 1005971843 /nfs/dbraw/zinc/97/18/43/1005971843.db2.gz CLXQGQZYYIUQFR-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CCCC3)C2)C1 ZINC001418044358 1005971847 /nfs/dbraw/zinc/97/18/47/1005971847.db2.gz CLXQGQZYYIUQFR-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(CC)C2CC2)C1)N(C)C ZINC001418046273 1005975641 /nfs/dbraw/zinc/97/56/41/1005975641.db2.gz MKIZYPZCDGCAIW-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)CCC1 ZINC001418059406 1005989853 /nfs/dbraw/zinc/98/98/53/1005989853.db2.gz AEPDCBCDKXBSCH-HDJSIYSDSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001418065235 1005996817 /nfs/dbraw/zinc/99/68/17/1005996817.db2.gz YTUNMEGCZUTRHA-XUXIUFHCSA-N 1 3 310.442 0.088 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001438680898 1006022656 /nfs/dbraw/zinc/02/26/56/1006022656.db2.gz JORLZYCUGORBCK-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001438680898 1006022665 /nfs/dbraw/zinc/02/26/65/1006022665.db2.gz JORLZYCUGORBCK-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)C1=O ZINC001418095850 1006030783 /nfs/dbraw/zinc/03/07/83/1006030783.db2.gz VCUQOTQCCZVBKX-VNHYZAJKSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)ncn1 ZINC001418104214 1006045248 /nfs/dbraw/zinc/04/52/48/1006045248.db2.gz RIFCHDXPKWNCSG-OKILXGFUSA-N 1 3 305.426 0.864 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001438718293 1006063363 /nfs/dbraw/zinc/06/33/63/1006063363.db2.gz GEMGWIHDPRMAHX-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC[N@@H+]1C ZINC001418169502 1006126066 /nfs/dbraw/zinc/12/60/66/1006126066.db2.gz TUQVLQJYCMWTMT-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC[N@H+]1C ZINC001418169502 1006126069 /nfs/dbraw/zinc/12/60/69/1006126069.db2.gz TUQVLQJYCMWTMT-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001418182432 1006138133 /nfs/dbraw/zinc/13/81/33/1006138133.db2.gz UCTOZBRXANOXMO-KCEFYPGHSA-N 1 3 321.465 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@@]34CCOC4)C[C@H]21 ZINC001418182432 1006138137 /nfs/dbraw/zinc/13/81/37/1006138137.db2.gz UCTOZBRXANOXMO-KCEFYPGHSA-N 1 3 321.465 0.801 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001436427118 1006175108 /nfs/dbraw/zinc/17/51/08/1006175108.db2.gz XLHXSPORAXDWDL-LSDHHAIUSA-N 1 3 307.442 0.664 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N1CCCC1 ZINC001418244594 1006240583 /nfs/dbraw/zinc/24/05/83/1006240583.db2.gz YWEPZLBKWKNUMW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N1CCCC1 ZINC001418244594 1006240592 /nfs/dbraw/zinc/24/05/92/1006240592.db2.gz YWEPZLBKWKNUMW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001418318862 1006363575 /nfs/dbraw/zinc/36/35/75/1006363575.db2.gz QHXQKDHLZUIKEZ-XJKSGUPXSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001436821328 1006389705 /nfs/dbraw/zinc/38/97/05/1006389705.db2.gz GRDDWXLCWREYRU-OAHLLOKOSA-N 1 3 324.469 0.337 20 0 DCADHO Cn1cc(CN[C@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)cn1 ZINC001436828818 1006401798 /nfs/dbraw/zinc/40/17/98/1006401798.db2.gz QBXYVZROQPQKCL-OAHLLOKOSA-N 1 3 317.437 0.500 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)[C@@H]1CCCN1C ZINC001439070899 1006433332 /nfs/dbraw/zinc/43/33/32/1006433332.db2.gz FVQADKCSNGSMJJ-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001439072765 1006436157 /nfs/dbraw/zinc/43/61/57/1006436157.db2.gz PFAZHLPVVNSHKJ-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001439072765 1006436160 /nfs/dbraw/zinc/43/61/60/1006436160.db2.gz PFAZHLPVVNSHKJ-GZBFAFLISA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N1CC[C@H](NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001439169420 1006540295 /nfs/dbraw/zinc/54/02/95/1006540295.db2.gz XXHKDJXAYMNGBR-KGLIPLIRSA-N 1 3 322.453 0.186 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]21 ZINC001437075723 1006573669 /nfs/dbraw/zinc/57/36/69/1006573669.db2.gz KFCZADSLOHEXED-VQJWOFKYSA-N 1 3 315.433 0.748 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]21 ZINC001437075723 1006573679 /nfs/dbraw/zinc/57/36/79/1006573679.db2.gz KFCZADSLOHEXED-VQJWOFKYSA-N 1 3 315.433 0.748 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439227008 1006601851 /nfs/dbraw/zinc/60/18/51/1006601851.db2.gz SXNLBYUMWQDRHJ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001439250868 1006626388 /nfs/dbraw/zinc/62/63/88/1006626388.db2.gz DRZCQLCUPPJLEV-KBPBESRZSA-N 1 3 320.437 0.321 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439267980 1006642500 /nfs/dbraw/zinc/64/25/00/1006642500.db2.gz FFHPQRULWGMADA-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439267980 1006642510 /nfs/dbraw/zinc/64/25/10/1006642510.db2.gz FFHPQRULWGMADA-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001437289476 1006804155 /nfs/dbraw/zinc/80/41/55/1006804155.db2.gz KLLBVFMBTXTKML-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001437289476 1006804166 /nfs/dbraw/zinc/80/41/66/1006804166.db2.gz KLLBVFMBTXTKML-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001437314768 1006835006 /nfs/dbraw/zinc/83/50/06/1006835006.db2.gz TWXAXDNADOPPEI-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001437425278 1006941213 /nfs/dbraw/zinc/94/12/13/1006941213.db2.gz FDKYMNXDUSNWDM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001437733805 1007327612 /nfs/dbraw/zinc/32/76/12/1007327612.db2.gz APAVUXSHLGBXLI-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCC[C@@H]1C ZINC001453274255 1007370698 /nfs/dbraw/zinc/37/06/98/1007370698.db2.gz WLAKLEASJQFWFQ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)CN1CCC[C@@H]1C ZINC001453274255 1007370709 /nfs/dbraw/zinc/37/07/09/1007370709.db2.gz WLAKLEASJQFWFQ-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC[N@H+](CCO)C2CC2)c1 ZINC001437816362 1007430444 /nfs/dbraw/zinc/43/04/44/1007430444.db2.gz YLIIQRQXYQJBDL-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](CCO)C2CC2)c1 ZINC001437816362 1007430451 /nfs/dbraw/zinc/43/04/51/1007430451.db2.gz YLIIQRQXYQJBDL-UHFFFAOYSA-N 1 3 305.422 0.935 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437974262 1007546977 /nfs/dbraw/zinc/54/69/77/1007546977.db2.gz IPGNXLAWKYTTGU-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001437974262 1007546986 /nfs/dbraw/zinc/54/69/86/1007546986.db2.gz IPGNXLAWKYTTGU-OLZOCXBDSA-N 1 3 310.442 0.125 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1)N(C)C ZINC001440220434 1007588162 /nfs/dbraw/zinc/58/81/62/1007588162.db2.gz KFFOTHQYNYCDCY-YDHLFZDLSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001440362657 1007697046 /nfs/dbraw/zinc/69/70/46/1007697046.db2.gz MUZXATXGAAQGMO-HDJSIYSDSA-N 1 3 308.430 0.103 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC(C)C ZINC001438375207 1007868195 /nfs/dbraw/zinc/86/81/95/1007868195.db2.gz WSMCXBBWXOANBZ-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC(C)C ZINC001438375207 1007868210 /nfs/dbraw/zinc/86/82/10/1007868210.db2.gz WSMCXBBWXOANBZ-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO COc1cc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)ccn1 ZINC001440592013 1007906712 /nfs/dbraw/zinc/90/67/12/1007906712.db2.gz PXTFCAXLJCHUPQ-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001440717131 1007967883 /nfs/dbraw/zinc/96/78/83/1007967883.db2.gz ICVLPOHJAGDSRF-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001440717131 1007967889 /nfs/dbraw/zinc/96/78/89/1007967889.db2.gz ICVLPOHJAGDSRF-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](NCC(=O)N1CCCCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001440839765 1008059090 /nfs/dbraw/zinc/05/90/90/1008059090.db2.gz PPVGYUSQSCFVPF-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1cc(CCN2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cn1 ZINC001441253566 1008292122 /nfs/dbraw/zinc/29/21/22/1008292122.db2.gz LTYRGVXDQLYTLI-HNNXBMFYSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001441368976 1008334682 /nfs/dbraw/zinc/33/46/82/1008334682.db2.gz MNCBJKSAMMJMNS-UMVBOHGHSA-N 1 3 312.458 0.145 20 0 DCADHO NC(=O)CNC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001441675404 1008452788 /nfs/dbraw/zinc/45/27/88/1008452788.db2.gz LXFNKRMUKKNECT-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO O=C(NC[C@H](CO)NCCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001441708013 1008471257 /nfs/dbraw/zinc/47/12/57/1008471257.db2.gz DKMKSFKUAOVNGR-LLVKDONJSA-N 1 3 323.359 0.634 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001441838525 1008550397 /nfs/dbraw/zinc/55/03/97/1008550397.db2.gz WKFMXHDBPIAHGR-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001421421330 1008560647 /nfs/dbraw/zinc/56/06/47/1008560647.db2.gz KDFMAFZHWPMWPB-STQMWFEESA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N2CCCC2)CN1C(=O)CC[NH+](C)C ZINC001441844194 1008562028 /nfs/dbraw/zinc/56/20/28/1008562028.db2.gz UQMRYXKKCGINCV-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](N[C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(N)=O ZINC001441910224 1008644671 /nfs/dbraw/zinc/64/46/71/1008644671.db2.gz BTOXLOMWYPVQIC-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001441927137 1008667740 /nfs/dbraw/zinc/66/77/40/1008667740.db2.gz NUGKIKLCZKXCMH-MCIONIFRSA-N 1 3 324.469 0.289 20 0 DCADHO CCNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001441927137 1008667742 /nfs/dbraw/zinc/66/77/42/1008667742.db2.gz NUGKIKLCZKXCMH-MCIONIFRSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(CC)CC(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001453709151 1008677783 /nfs/dbraw/zinc/67/77/83/1008677783.db2.gz LVEHUIJVAUIASQ-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001421536076 1008697876 /nfs/dbraw/zinc/69/78/76/1008697876.db2.gz CJTWFSIPJWTJRE-QWHCGFSZSA-N 1 3 321.425 0.163 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001441955565 1008704582 /nfs/dbraw/zinc/70/45/82/1008704582.db2.gz VCCGZTPLASXPAE-HIFRSBDPSA-N 1 3 321.469 0.936 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001433415830 1008762846 /nfs/dbraw/zinc/76/28/46/1008762846.db2.gz VXNGSEMAVULART-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001433415830 1008762856 /nfs/dbraw/zinc/76/28/56/1008762856.db2.gz VXNGSEMAVULART-MGPQQGTHSA-N 1 3 312.458 0.145 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001453862420 1008771742 /nfs/dbraw/zinc/77/17/42/1008771742.db2.gz QYTIEFOKODMUJK-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001453862420 1008771747 /nfs/dbraw/zinc/77/17/47/1008771747.db2.gz QYTIEFOKODMUJK-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001453886377 1008782815 /nfs/dbraw/zinc/78/28/15/1008782815.db2.gz MJAWZLHJSNGNFX-PBHICJAKSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](F)CNC[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001442030283 1008840291 /nfs/dbraw/zinc/84/02/91/1008840291.db2.gz BWJWPFDSPKSOMC-OLZOCXBDSA-N 1 3 301.406 0.239 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001421638562 1008845391 /nfs/dbraw/zinc/84/53/91/1008845391.db2.gz SYPGLLXGDKOBJC-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001421638562 1008845406 /nfs/dbraw/zinc/84/54/06/1008845406.db2.gz SYPGLLXGDKOBJC-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CN(C)C(C)C)C(N)=O ZINC001421720629 1008982936 /nfs/dbraw/zinc/98/29/36/1008982936.db2.gz DFYLFKVSQVQMFK-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001421770140 1009060976 /nfs/dbraw/zinc/06/09/76/1009060976.db2.gz RHOYIJIJUFETRK-QWHCGFSZSA-N 1 3 300.447 0.145 20 0 DCADHO Cc1nc(CNC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC2)n[nH]1 ZINC001421790511 1009096309 /nfs/dbraw/zinc/09/63/09/1009096309.db2.gz WXNYNRFGHUTQCB-LBPRGKRZSA-N 1 3 306.414 0.193 20 0 DCADHO Cc1nc(CNC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC2)n[nH]1 ZINC001421790511 1009096321 /nfs/dbraw/zinc/09/63/21/1009096321.db2.gz WXNYNRFGHUTQCB-LBPRGKRZSA-N 1 3 306.414 0.193 20 0 DCADHO CN(CCC[N@H+](C)CCc1ccnn1C)C(=O)[C@H]1CCCN1C ZINC001421845156 1009160506 /nfs/dbraw/zinc/16/05/06/1009160506.db2.gz ZVUQCZBZLDBXTB-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CCC[N@@H+](C)CCc1ccnn1C)C(=O)[C@H]1CCCN1C ZINC001421845156 1009160511 /nfs/dbraw/zinc/16/05/11/1009160511.db2.gz ZVUQCZBZLDBXTB-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001433802501 1009193900 /nfs/dbraw/zinc/19/39/00/1009193900.db2.gz BCOWWZCWSKYHRE-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001421908771 1009247289 /nfs/dbraw/zinc/24/72/89/1009247289.db2.gz PWJSYGYFQWFBBQ-STQMWFEESA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001454738727 1009292833 /nfs/dbraw/zinc/29/28/33/1009292833.db2.gz LHVGEXAEKGNWLA-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+][C@H](C)C(N)=O ZINC001422029900 1009414477 /nfs/dbraw/zinc/41/44/77/1009414477.db2.gz NBCFMLQNTCJXHU-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001422068027 1009452433 /nfs/dbraw/zinc/45/24/33/1009452433.db2.gz UESLGTDQXQRXJE-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@H+](C)C[C@H](O)CC(F)(F)F ZINC001442618973 1009523546 /nfs/dbraw/zinc/52/35/46/1009523546.db2.gz JRNMZFVMNVONTG-LLVKDONJSA-N 1 3 313.364 0.688 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC001442618973 1009523555 /nfs/dbraw/zinc/52/35/55/1009523555.db2.gz JRNMZFVMNVONTG-LLVKDONJSA-N 1 3 313.364 0.688 20 0 DCADHO CN(CC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@H]1CCCN1C ZINC001422181360 1009616210 /nfs/dbraw/zinc/61/62/10/1009616210.db2.gz GYODBXOOADZONS-OAHLLOKOSA-N 1 3 307.442 0.447 20 0 DCADHO CN(CC[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@H]1CCCN1C ZINC001422181360 1009616216 /nfs/dbraw/zinc/61/62/16/1009616216.db2.gz GYODBXOOADZONS-OAHLLOKOSA-N 1 3 307.442 0.447 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001455312162 1009648877 /nfs/dbraw/zinc/64/88/77/1009648877.db2.gz XEQHDYUZQLFDLD-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001455312162 1009648882 /nfs/dbraw/zinc/64/88/82/1009648882.db2.gz XEQHDYUZQLFDLD-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001422290884 1009792191 /nfs/dbraw/zinc/79/21/91/1009792191.db2.gz XMHNARCLDDSMMJ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N(CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001455575434 1009828456 /nfs/dbraw/zinc/82/84/56/1009828456.db2.gz KUQGNLFZBQPVON-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001455575434 1009828468 /nfs/dbraw/zinc/82/84/68/1009828468.db2.gz KUQGNLFZBQPVON-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001422318834 1009860406 /nfs/dbraw/zinc/86/04/06/1009860406.db2.gz SSLDVUPGEALJEK-HNNXBMFYSA-N 1 3 320.437 0.441 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001422326276 1009882195 /nfs/dbraw/zinc/88/21/95/1009882195.db2.gz RRCLECFEHVCGQN-HOTGVXAUSA-N 1 3 320.437 0.523 20 0 DCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001442936365 1009955449 /nfs/dbraw/zinc/95/54/49/1009955449.db2.gz ZYGPGUONSSUDNN-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN1CCC[C@H]1C(=O)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001455891510 1010024415 /nfs/dbraw/zinc/02/44/15/1010024415.db2.gz MQLJQSPBJKOSLN-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@H]1C(=O)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001455891510 1010024431 /nfs/dbraw/zinc/02/44/31/1010024431.db2.gz MQLJQSPBJKOSLN-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001506162253 1017080796 /nfs/dbraw/zinc/08/07/96/1017080796.db2.gz UIKBGBXMSQVAHW-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001506162253 1017080808 /nfs/dbraw/zinc/08/08/08/1017080808.db2.gz UIKBGBXMSQVAHW-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001443076005 1010117260 /nfs/dbraw/zinc/11/72/60/1010117260.db2.gz KLJAHRBYMLTLHL-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@H](NCCO)c2ccccc2)CC1 ZINC001443132456 1010163388 /nfs/dbraw/zinc/16/33/88/1010163388.db2.gz CIFSIYFXIRRVGD-HNNXBMFYSA-N 1 3 305.422 0.768 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001443244830 1010258865 /nfs/dbraw/zinc/25/88/65/1010258865.db2.gz ORFINTHATISQDW-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001443244830 1010258877 /nfs/dbraw/zinc/25/88/77/1010258877.db2.gz ORFINTHATISQDW-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO Cn1nccc1CN1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001443245611 1010261829 /nfs/dbraw/zinc/26/18/29/1010261829.db2.gz NCXFPNXSUBQKIF-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(C)(C)C)N(C)C ZINC001422553207 1010288896 /nfs/dbraw/zinc/28/88/96/1010288896.db2.gz KJHZJQFEZMLSAT-UPJWGTAASA-N 1 3 314.474 0.724 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1)N(C)C ZINC001443399819 1010384997 /nfs/dbraw/zinc/38/49/97/1010384997.db2.gz FSYAECQOUBNLOZ-APIJFGDWSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001422607866 1010395813 /nfs/dbraw/zinc/39/58/13/1010395813.db2.gz RGOSSSJOFWMDHC-UONOGXRCSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001422607866 1010395824 /nfs/dbraw/zinc/39/58/24/1010395824.db2.gz RGOSSSJOFWMDHC-UONOGXRCSA-N 1 3 322.457 0.542 20 0 DCADHO C[C@@H](NCc1ccccn1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001422854342 1010675427 /nfs/dbraw/zinc/67/54/27/1010675427.db2.gz KZAMKOFSUGUIAT-ZBFHGGJFSA-N 1 3 320.437 0.739 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC1CC1 ZINC001443986220 1010791597 /nfs/dbraw/zinc/79/15/97/1010791597.db2.gz QSOHHMQAFXXPIZ-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(C)(C)C ZINC001444039632 1010815386 /nfs/dbraw/zinc/81/53/86/1010815386.db2.gz PFKQCQRNBANNPX-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCn1cccn1)N(C)C ZINC001423084746 1010873874 /nfs/dbraw/zinc/87/38/74/1010873874.db2.gz SCLRYVOFQOPFBX-GJZGRUSLSA-N 1 3 309.458 0.906 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001444242841 1010920419 /nfs/dbraw/zinc/92/04/19/1010920419.db2.gz BCELWZBOWBXCNM-BFHYXJOUSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001423156068 1010930008 /nfs/dbraw/zinc/93/00/08/1010930008.db2.gz WCSOOAZGWYNVLX-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001423156068 1010930012 /nfs/dbraw/zinc/93/00/12/1010930012.db2.gz WCSOOAZGWYNVLX-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001444639478 1011109067 /nfs/dbraw/zinc/10/90/67/1011109067.db2.gz LTDOXDCNNGGFOO-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C[C@H]1C ZINC001423446376 1011154975 /nfs/dbraw/zinc/15/49/75/1011154975.db2.gz AVYBVQSNMUNJSV-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NCC1CCC1 ZINC001423479709 1011176905 /nfs/dbraw/zinc/17/69/05/1011176905.db2.gz SNFAWACABUIIOM-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](NCC(N)=O)C(C)C)C1 ZINC001444889270 1011197646 /nfs/dbraw/zinc/19/76/46/1011197646.db2.gz IAZQLDHJYMEAAP-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](NCC(N)=O)C(C)C)C1 ZINC001444889270 1011197654 /nfs/dbraw/zinc/19/76/54/1011197654.db2.gz IAZQLDHJYMEAAP-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCn1cncn1 ZINC001423531142 1011221161 /nfs/dbraw/zinc/22/11/61/1011221161.db2.gz CTZSAKCMSRZVRC-CABCVRRESA-N 1 3 320.441 0.295 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001423611190 1011341870 /nfs/dbraw/zinc/34/18/70/1011341870.db2.gz WUTHCZHLKUIVEG-STQMWFEESA-N 1 3 312.458 0.465 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445061410 1011367503 /nfs/dbraw/zinc/36/75/03/1011367503.db2.gz LWGKJVKYWXNKMG-OAHLLOKOSA-N 1 3 321.469 0.695 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445061410 1011367512 /nfs/dbraw/zinc/36/75/12/1011367512.db2.gz LWGKJVKYWXNKMG-OAHLLOKOSA-N 1 3 321.469 0.695 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1)N(C)C ZINC001423699059 1011432589 /nfs/dbraw/zinc/43/25/89/1011432589.db2.gz YTHKVSCZVZUAQM-YMAMQOFZSA-N 1 3 322.457 0.443 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001431644279 1011497322 /nfs/dbraw/zinc/49/73/22/1011497322.db2.gz FFLHMKPBIKOCFV-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431644279 1011497330 /nfs/dbraw/zinc/49/73/30/1011497330.db2.gz FFLHMKPBIKOCFV-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001445267593 1011597165 /nfs/dbraw/zinc/59/71/65/1011597165.db2.gz AYTWVRNTUMGFBX-HOCLYGCPSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1cncc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001445267593 1011597171 /nfs/dbraw/zinc/59/71/71/1011597171.db2.gz AYTWVRNTUMGFBX-HOCLYGCPSA-N 1 3 320.437 0.299 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccnn1C ZINC001445379472 1011707957 /nfs/dbraw/zinc/70/79/57/1011707957.db2.gz KSNNPKYURIEUCI-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccnn1C ZINC001445379472 1011707973 /nfs/dbraw/zinc/70/79/73/1011707973.db2.gz KSNNPKYURIEUCI-UKRRQHHQSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001445446456 1011777083 /nfs/dbraw/zinc/77/70/83/1011777083.db2.gz MVAXAZRHGIOQKL-HIFRSBDPSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001445446456 1011777092 /nfs/dbraw/zinc/77/70/92/1011777092.db2.gz MVAXAZRHGIOQKL-HIFRSBDPSA-N 1 3 324.469 0.622 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)n[nH]1 ZINC001445470707 1011796144 /nfs/dbraw/zinc/79/61/44/1011796144.db2.gz RDZDODXYVPBZFO-GFCCVEGCSA-N 1 3 322.457 0.828 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001445606592 1011992179 /nfs/dbraw/zinc/99/21/79/1011992179.db2.gz QUKARRZHWFFTFK-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2(C3CC[NH2+]CC3)CC2)C1 ZINC001553452888 1011992666 /nfs/dbraw/zinc/99/26/66/1011992666.db2.gz DYGTVFHYNHVTOD-CQSZACIVSA-N 1 3 310.442 0.539 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001445609510 1011996848 /nfs/dbraw/zinc/99/68/48/1011996848.db2.gz JAPARQCJTDVQGQ-NSHDSACASA-N 1 3 308.430 0.439 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)CN1C1CC1 ZINC001553462769 1011999760 /nfs/dbraw/zinc/99/97/60/1011999760.db2.gz YOGVQKLDVHKWRK-IPYPFGDCSA-N 1 3 322.453 0.761 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553531475 1012083260 /nfs/dbraw/zinc/08/32/60/1012083260.db2.gz PXBCQDSNXLUEDW-APIJFGDWSA-N 1 3 310.442 0.083 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553544004 1012093868 /nfs/dbraw/zinc/09/38/68/1012093868.db2.gz BZMRVVXGSRBGSV-FPCVCCKLSA-N 1 3 324.469 0.473 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001458420144 1012173306 /nfs/dbraw/zinc/17/33/06/1012173306.db2.gz VZPIJJAWKLXDLZ-REWJHTLYSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001458420144 1012173321 /nfs/dbraw/zinc/17/33/21/1012173321.db2.gz VZPIJJAWKLXDLZ-REWJHTLYSA-N 1 3 312.458 0.288 20 0 DCADHO CN1CC[C@H](N2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001424264194 1012264316 /nfs/dbraw/zinc/26/43/16/1012264316.db2.gz NTSXYRQOBPKQSP-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CC[C@H](N2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001424264180 1012264890 /nfs/dbraw/zinc/26/48/90/1012264890.db2.gz NTSXYRQOBPKQSP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001432304656 1012292397 /nfs/dbraw/zinc/29/23/97/1012292397.db2.gz SKDNTRCTMJMNBZ-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C(=O)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1)N1CCCC1 ZINC001445962790 1012467455 /nfs/dbraw/zinc/46/74/55/1012467455.db2.gz UNMWJFDDACRAAH-UONOGXRCSA-N 1 3 322.453 0.234 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001445998362 1012501693 /nfs/dbraw/zinc/50/16/93/1012501693.db2.gz ZGTAHKWMXNZRBZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@]1(C(=O)N2CC3(C[NH2+]C3)OC(C)(C)C2)CCCCN1 ZINC001548576623 1012561585 /nfs/dbraw/zinc/56/15/85/1012561585.db2.gz ULTIAZPZEICYCV-INIZCTEOSA-N 1 3 311.426 0.125 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001424487739 1012567078 /nfs/dbraw/zinc/56/70/78/1012567078.db2.gz SABRPESKKKVUEG-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N1CC([C@H](C)NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001424559573 1012652924 /nfs/dbraw/zinc/65/29/24/1012652924.db2.gz QMWCPXSIUCANIK-JSGCOSHPSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548550112 1012697569 /nfs/dbraw/zinc/69/75/69/1012697569.db2.gz PHYXKSHFHMXXDV-WBVHZDCISA-N 1 3 303.406 0.743 20 0 DCADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574577 1012746795 /nfs/dbraw/zinc/74/67/95/1012746795.db2.gz GGUHHTNNWMHSIY-HOCLYGCPSA-N 1 3 303.406 0.794 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001548590147 1012767764 /nfs/dbraw/zinc/76/77/64/1012767764.db2.gz OYTNVDJTNRHKSK-MRXNPFEDSA-N 1 3 303.406 0.536 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001432692719 1012779193 /nfs/dbraw/zinc/77/91/93/1012779193.db2.gz IUGUAFHOZUEOGL-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001432692719 1012779211 /nfs/dbraw/zinc/77/92/11/1012779211.db2.gz IUGUAFHOZUEOGL-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1ncoc1CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446750971 1012946066 /nfs/dbraw/zinc/94/60/66/1012946066.db2.gz YHYQZBFKKHMOMI-BBRMVZONSA-N 1 3 322.409 0.130 20 0 DCADHO Cc1ncoc1CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001446750971 1012946071 /nfs/dbraw/zinc/94/60/71/1012946071.db2.gz YHYQZBFKKHMOMI-BBRMVZONSA-N 1 3 322.409 0.130 20 0 DCADHO CCN(CC)CC(=O)N[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001429969761 1013006359 /nfs/dbraw/zinc/00/63/59/1013006359.db2.gz PKRNFCWLBSBTBR-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001429969761 1013006367 /nfs/dbraw/zinc/00/63/67/1013006367.db2.gz PKRNFCWLBSBTBR-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]([NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCCC1)C(N)=O ZINC001506518662 1017334828 /nfs/dbraw/zinc/33/48/28/1017334828.db2.gz IOTBWHYAIKBTER-KGLIPLIRSA-N 1 3 324.469 0.611 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)CN2CCCC2)C1 ZINC001509509521 1017339966 /nfs/dbraw/zinc/33/99/66/1017339966.db2.gz IMNIMCAQOVXOQW-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(C(=O)CN2CCCC2)C1 ZINC001509509521 1017339978 /nfs/dbraw/zinc/33/99/78/1017339978.db2.gz IMNIMCAQOVXOQW-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](O)CCC[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001479320134 1017494209 /nfs/dbraw/zinc/49/42/09/1017494209.db2.gz AIBTXSQIPMMBPQ-FPCVCCKLSA-N 1 3 311.470 0.974 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCn2cccn2)CC1(C)C ZINC001506750532 1017509217 /nfs/dbraw/zinc/50/92/17/1017509217.db2.gz ZRGJYCRYRIVISB-CQSZACIVSA-N 1 3 307.442 0.661 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001499858395 1018106141 /nfs/dbraw/zinc/10/61/41/1018106141.db2.gz VNRBPWUCJBUBFP-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCOCC(F)F ZINC001499882049 1018115360 /nfs/dbraw/zinc/11/53/60/1018115360.db2.gz CMOWBMXRJQPFFI-QWHCGFSZSA-N 1 3 319.396 0.943 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCn1cccn1 ZINC001499883690 1018118064 /nfs/dbraw/zinc/11/80/64/1018118064.db2.gz YZYMRULOBOIFQG-GJZGRUSLSA-N 1 3 305.426 0.558 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497483843 1018162585 /nfs/dbraw/zinc/16/25/85/1018162585.db2.gz CCWWYEVAUDXJHM-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497483843 1018162592 /nfs/dbraw/zinc/16/25/92/1018162592.db2.gz CCWWYEVAUDXJHM-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+]1CCCC1 ZINC001497500574 1018173253 /nfs/dbraw/zinc/17/32/53/1018173253.db2.gz IWNGUMCHBSEJDT-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001480087343 1018191470 /nfs/dbraw/zinc/19/14/70/1018191470.db2.gz JOQQGFYWGGYYAO-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001480087343 1018191473 /nfs/dbraw/zinc/19/14/73/1018191473.db2.gz JOQQGFYWGGYYAO-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001494993902 1018217487 /nfs/dbraw/zinc/21/74/87/1018217487.db2.gz FNELNCCQVLGPED-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCC(=O)Nc2ccon2)C1 ZINC001480164584 1018272914 /nfs/dbraw/zinc/27/29/14/1018272914.db2.gz NFLJKQBHBMWFMT-HAQNSBGRSA-N 1 3 323.397 0.192 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCC(=O)Nc2ccon2)C1 ZINC001480164584 1018272920 /nfs/dbraw/zinc/27/29/20/1018272920.db2.gz NFLJKQBHBMWFMT-HAQNSBGRSA-N 1 3 323.397 0.192 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)c1n[nH]c(C)n1 ZINC001495095388 1018307060 /nfs/dbraw/zinc/30/70/60/1018307060.db2.gz VZSHMWNYZGYRHB-DGCLKSJQSA-N 1 3 320.441 0.754 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@@H]1CCN(C)C1=O)C1CC1 ZINC001495302907 1018453666 /nfs/dbraw/zinc/45/36/66/1018453666.db2.gz LLPQTHKDZKRDND-PBHICJAKSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001495563866 1018575705 /nfs/dbraw/zinc/57/57/05/1018575705.db2.gz HOHQIKWPNNFZEP-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001495563866 1018575711 /nfs/dbraw/zinc/57/57/11/1018575711.db2.gz HOHQIKWPNNFZEP-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](F)CN[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001480564598 1018661579 /nfs/dbraw/zinc/66/15/79/1018661579.db2.gz ZFNNNEXSWLKDAU-CHWSQXEVSA-N 1 3 303.422 0.940 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001498161797 1018704942 /nfs/dbraw/zinc/70/49/42/1018704942.db2.gz XSFSSOWLDIQFBP-AAEUAGOBSA-N 1 3 315.849 0.971 20 0 DCADHO CCn1cc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001480658379 1018750026 /nfs/dbraw/zinc/75/00/26/1018750026.db2.gz DHSWADAVWABPSB-CYBMUJFWSA-N 1 3 308.430 0.188 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001498203292 1018752933 /nfs/dbraw/zinc/75/29/33/1018752933.db2.gz OXLXGBXHTRQSKV-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001496153302 1019118970 /nfs/dbraw/zinc/11/89/70/1019118970.db2.gz GQKZAVZYPWVKLG-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001496153302 1019118981 /nfs/dbraw/zinc/11/89/81/1019118981.db2.gz GQKZAVZYPWVKLG-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001496194820 1019154385 /nfs/dbraw/zinc/15/43/85/1019154385.db2.gz KVNRVKMKJWGKEZ-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001496230134 1019180220 /nfs/dbraw/zinc/18/02/20/1019180220.db2.gz QXFOJMKTFJPTMP-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001498614107 1019268470 /nfs/dbraw/zinc/26/84/70/1019268470.db2.gz WMAYPDNFBQMISA-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498637588 1019289051 /nfs/dbraw/zinc/28/90/51/1019289051.db2.gz RSUAKNVWBOOHCM-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001498637588 1019289058 /nfs/dbraw/zinc/28/90/58/1019289058.db2.gz RSUAKNVWBOOHCM-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CCCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648269 1019354006 /nfs/dbraw/zinc/35/40/06/1019354006.db2.gz WUOPLTNPHOPIEW-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001498817908 1019448745 /nfs/dbraw/zinc/44/87/45/1019448745.db2.gz ZPPMPFDEQBAOQS-OAHLLOKOSA-N 1 3 319.453 0.746 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)CC1 ZINC001498818323 1019449184 /nfs/dbraw/zinc/44/91/84/1019449184.db2.gz PFELKKLSOBHULR-HNNXBMFYSA-N 1 3 322.453 0.091 20 0 DCADHO CCn1nncc1CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001496644120 1019481252 /nfs/dbraw/zinc/48/12/52/1019481252.db2.gz QIXYFMKJKOZKOX-UKRRQHHQSA-N 1 3 322.457 0.480 20 0 DCADHO CCn1nncc1CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001496644120 1019481262 /nfs/dbraw/zinc/48/12/62/1019481262.db2.gz QIXYFMKJKOZKOX-UKRRQHHQSA-N 1 3 322.457 0.480 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001498874386 1019492395 /nfs/dbraw/zinc/49/23/95/1019492395.db2.gz KSXTXPFZKAWWMP-CABCVRRESA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001493696105 1019639763 /nfs/dbraw/zinc/63/97/63/1019639763.db2.gz PJOGAWDRFGWEDD-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC1CC1 ZINC001493696105 1019639773 /nfs/dbraw/zinc/63/97/73/1019639773.db2.gz PJOGAWDRFGWEDD-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C(=O)CNCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001493803110 1019721473 /nfs/dbraw/zinc/72/14/73/1019721473.db2.gz HRHOGVYILHXGQM-UHFFFAOYSA-N 1 3 320.437 0.498 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001496922583 1019761393 /nfs/dbraw/zinc/76/13/93/1019761393.db2.gz IYZOQGTZOZANOO-UKRRQHHQSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001494162314 1020032383 /nfs/dbraw/zinc/03/23/83/1020032383.db2.gz IFZNYSOAMUQWRS-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001494229768 1020087890 /nfs/dbraw/zinc/08/78/90/1020087890.db2.gz CCMCYTBJHZMWBA-VHDGCEQUSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000272757815 210160932 /nfs/dbraw/zinc/16/09/32/210160932.db2.gz PJEJFGDUAPSULR-CZUORRHYSA-N 1 3 305.422 0.867 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188885809 530053272 /nfs/dbraw/zinc/05/32/72/530053272.db2.gz TYJGLKUJKUOMTI-SOUVJXGZSA-N 1 3 312.433 0.315 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188885809 530053273 /nfs/dbraw/zinc/05/32/73/530053273.db2.gz TYJGLKUJKUOMTI-SOUVJXGZSA-N 1 3 312.433 0.315 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001645544188 1172051531 /nfs/dbraw/zinc/05/15/31/1172051531.db2.gz NUSZZHXEIDXHOK-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[NH+]1CCC(C(=O)Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000269155539 282686732 /nfs/dbraw/zinc/68/67/32/282686732.db2.gz FVLMWVHECVAGQS-UHFFFAOYSA-N 1 3 303.410 0.772 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000332283685 234749588 /nfs/dbraw/zinc/74/95/88/234749588.db2.gz LSBGVRPTQVMHOL-CVEARBPZSA-N 1 3 324.469 0.868 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333752362 295904136 /nfs/dbraw/zinc/90/41/36/295904136.db2.gz KDTGDWIJWBFYFP-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353802178 296018510 /nfs/dbraw/zinc/01/85/10/296018510.db2.gz BNCAEJSVUYFMRC-FMKPAKJESA-N 1 3 307.438 0.698 20 0 DCADHO c1cc(N2CC[NH2+]CC2)cnc1N[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000566087880 291268356 /nfs/dbraw/zinc/26/83/56/291268356.db2.gz AIAHJCDQLDNDFA-DOTOQJQBSA-N 1 3 317.437 0.670 20 0 DCADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C(=O)NCC[NH+](C)C ZINC000566463025 291304754 /nfs/dbraw/zinc/30/47/54/291304754.db2.gz SMCWSVNAWNGHFC-ZDUSSCGKSA-N 1 3 320.437 0.544 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000420026400 240007910 /nfs/dbraw/zinc/00/79/10/240007910.db2.gz JGDAIKYKFLUVRV-AWEZNQCLSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H]1CCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C[C@H]1C[NH3+] ZINC000423580481 240215575 /nfs/dbraw/zinc/21/55/75/240215575.db2.gz RXLIBVIAEYAVSF-UONOGXRCSA-N 1 3 324.469 0.372 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000423597123 240223782 /nfs/dbraw/zinc/22/37/82/240223782.db2.gz SVMNXKAVHBGPEV-KFWWJZLASA-N 1 3 324.469 0.371 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000092043551 193146037 /nfs/dbraw/zinc/14/60/37/193146037.db2.gz ZKYBZNLWISCEQT-OCCSQVGLSA-N 1 3 306.410 0.000 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c(=O)n(C)c1=O ZINC000092043551 193146040 /nfs/dbraw/zinc/14/60/40/193146040.db2.gz ZKYBZNLWISCEQT-OCCSQVGLSA-N 1 3 306.410 0.000 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000567779719 291377068 /nfs/dbraw/zinc/37/70/68/291377068.db2.gz VYIIMFLZYXMQOR-QGZVFWFLSA-N 1 3 318.465 0.873 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccncc1OCCN(C)C ZINC000567822086 291381137 /nfs/dbraw/zinc/38/11/37/291381137.db2.gz WYEXMVNNOIWAHY-CHWSQXEVSA-N 1 3 323.441 0.947 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001646556595 1172423831 /nfs/dbraw/zinc/42/38/31/1172423831.db2.gz VBVWQSGONVTXIX-ZIAGYGMSSA-N 1 3 300.447 0.452 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000288285221 220064312 /nfs/dbraw/zinc/06/43/12/220064312.db2.gz VKWWSFJKZTVPLB-ZDUSSCGKSA-N 1 3 320.437 0.796 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CCN(c3ncccn3)CC2)C1 ZINC000572662707 291581785 /nfs/dbraw/zinc/58/17/85/291581785.db2.gz REPVKVOLKJTZDO-HUUCEWRRSA-N 1 3 304.442 0.458 20 0 DCADHO COC[C@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000573111291 291611752 /nfs/dbraw/zinc/61/17/52/291611752.db2.gz QECUCCPJGHHYOM-QGZVFWFLSA-N 1 3 308.422 0.740 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)C2)CC1 ZINC000574568787 291702219 /nfs/dbraw/zinc/70/22/19/291702219.db2.gz ADYCHVOVZJTCPI-XHSDSOJGSA-N 1 3 324.469 0.120 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000417559733 285022008 /nfs/dbraw/zinc/02/20/08/285022008.db2.gz AIMNDKHDIWVKNH-KFWWJZLASA-N 1 3 312.458 0.866 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000339575743 253107379 /nfs/dbraw/zinc/10/73/79/253107379.db2.gz AKJGSGVQAJHHGB-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000340118551 253203272 /nfs/dbraw/zinc/20/32/72/253203272.db2.gz DOUHPIMUNOJWGW-OWCLPIDISA-N 1 3 310.486 0.751 20 0 DCADHO CN(CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000340487915 253264834 /nfs/dbraw/zinc/26/48/34/253264834.db2.gz FVRZMVICCMVTMP-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000346125451 254014081 /nfs/dbraw/zinc/01/40/81/254014081.db2.gz ZJKGOZAVGBNTPF-GZBFAFLISA-N 1 3 322.453 0.328 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000346125451 254014084 /nfs/dbraw/zinc/01/40/84/254014084.db2.gz ZJKGOZAVGBNTPF-GZBFAFLISA-N 1 3 322.453 0.328 20 0 DCADHO Cn1cnc2cc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)ccc21 ZINC000347040091 254124589 /nfs/dbraw/zinc/12/45/89/254124589.db2.gz KIVBRJIFWHZVCK-AWEZNQCLSA-N 1 3 315.421 0.860 20 0 DCADHO Cc1ccc2ncc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)n2c1 ZINC000347183420 254136614 /nfs/dbraw/zinc/13/66/14/254136614.db2.gz WZVWRESVCXONDD-CQSZACIVSA-N 1 3 315.421 0.930 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347978848 254208140 /nfs/dbraw/zinc/20/81/40/254208140.db2.gz QCEJQPBLGWYKPV-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000347978848 254208141 /nfs/dbraw/zinc/20/81/41/254208141.db2.gz QCEJQPBLGWYKPV-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC([NH+]2CCC(NC(=O)CCOC3CNC3)CC2)CC1 ZINC000349033436 254270671 /nfs/dbraw/zinc/27/06/71/254270671.db2.gz ZSDUHIYRLDBVQP-UHFFFAOYSA-N 1 3 324.469 0.040 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351519578 254342339 /nfs/dbraw/zinc/34/23/39/254342339.db2.gz OQTZWTYVWIDYEK-MGPQQGTHSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C)Cc1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000289715410 221175538 /nfs/dbraw/zinc/17/55/38/221175538.db2.gz FYUXLKUIXFSISV-KRWDZBQOSA-N 1 3 316.449 0.868 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1n[nH]c2c1CCCC2 ZINC000103213048 395772051 /nfs/dbraw/zinc/77/20/51/395772051.db2.gz ZKOKMJXCUGZFBQ-UHFFFAOYSA-N 1 3 307.442 0.854 20 0 DCADHO COCCN(C)CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000270771544 395806516 /nfs/dbraw/zinc/80/65/16/395806516.db2.gz HZBHMYFKXJPUAD-UHFFFAOYSA-N 1 3 324.425 0.330 20 0 DCADHO COCC[NH2+]CC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237179642 395905264 /nfs/dbraw/zinc/90/52/64/395905264.db2.gz FSBPJHSMTFJOEI-ZIAGYGMSSA-N 1 3 301.431 0.228 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000245382317 395927302 /nfs/dbraw/zinc/92/73/02/395927302.db2.gz IKLWYZRZFGYHRM-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000245382317 395927306 /nfs/dbraw/zinc/92/73/06/395927306.db2.gz IKLWYZRZFGYHRM-GJZGRUSLSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000119795296 395875780 /nfs/dbraw/zinc/87/57/80/395875780.db2.gz QKMSZKFKJKMFPZ-OAHLLOKOSA-N 1 3 314.474 0.842 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000119795296 395875784 /nfs/dbraw/zinc/87/57/84/395875784.db2.gz QKMSZKFKJKMFPZ-OAHLLOKOSA-N 1 3 314.474 0.842 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000246472260 395950716 /nfs/dbraw/zinc/95/07/16/395950716.db2.gz VLAXBNSYXUDHRW-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000246472260 395950718 /nfs/dbraw/zinc/95/07/18/395950718.db2.gz VLAXBNSYXUDHRW-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C(=O)NCc1ccc(CC[NH+](C)C)cc1)S(C)(=O)=O ZINC000276472910 396000705 /nfs/dbraw/zinc/00/07/05/396000705.db2.gz XOPPMXHABOTYPY-LBPRGKRZSA-N 1 3 312.435 0.840 20 0 DCADHO CC(C)N(C)CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000155638619 396055695 /nfs/dbraw/zinc/05/56/95/396055695.db2.gz LYUZMCFEXVPIDF-UHFFFAOYSA-N 1 3 308.426 0.978 20 0 DCADHO COc1cc(CNC(=O)C[C@H](C)[NH3+])ccc1OCCN(C)C ZINC000261802882 396068253 /nfs/dbraw/zinc/06/82/53/396068253.db2.gz LGCGIDIJTOIRMN-LBPRGKRZSA-N 1 3 309.410 0.989 20 0 DCADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262340737 396126860 /nfs/dbraw/zinc/12/68/60/396126860.db2.gz AGRRYOIBROVOSW-HIFRSBDPSA-N 1 3 323.462 0.799 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@@H]1C ZINC000263248997 396209497 /nfs/dbraw/zinc/20/94/97/396209497.db2.gz OCBXAKBODRQIHW-GUTXKFCHSA-N 1 3 312.458 0.417 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@@H]1C ZINC000263248997 396209498 /nfs/dbraw/zinc/20/94/98/396209498.db2.gz OCBXAKBODRQIHW-GUTXKFCHSA-N 1 3 312.458 0.417 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([NH3+])CC2)CC1=O ZINC000262492721 396146608 /nfs/dbraw/zinc/14/66/08/396146608.db2.gz AFJZESHMALMRGE-UKRRQHHQSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H]1CN(CC2CC[NH+](CCOCCO)CC2)C[C@H](C)O1 ZINC000074353906 396164396 /nfs/dbraw/zinc/16/43/96/396164396.db2.gz CERPTIHFTSREPU-GJZGRUSLSA-N 1 3 300.443 0.817 20 0 DCADHO C[C@@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262645050 396167708 /nfs/dbraw/zinc/16/77/08/396167708.db2.gz JUUYIMVGCDEPCC-CJNGLKHVSA-N 1 3 305.422 0.895 20 0 DCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000262693094 396173257 /nfs/dbraw/zinc/17/32/57/396173257.db2.gz BLPGAPHYJNKQHK-OCCSQVGLSA-N 1 3 313.442 0.751 20 0 DCADHO COC(=O)CN(C)C(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000075860246 396188278 /nfs/dbraw/zinc/18/82/78/396188278.db2.gz WQXCUQAQPQPOKB-CQSZACIVSA-N 1 3 313.442 0.814 20 0 DCADHO COC(=O)CN(C)C(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000075860246 396188280 /nfs/dbraw/zinc/18/82/80/396188280.db2.gz WQXCUQAQPQPOKB-CQSZACIVSA-N 1 3 313.442 0.814 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186104448 396341075 /nfs/dbraw/zinc/34/10/75/396341075.db2.gz BLTWYWCOSFJJOV-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO C[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH+]1CCC(C)CC1 ZINC000188745844 396385726 /nfs/dbraw/zinc/38/57/26/396385726.db2.gz IZSFCTGWZDPBSI-LBPRGKRZSA-N 1 3 305.426 0.906 20 0 DCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000269285370 396403754 /nfs/dbraw/zinc/40/37/54/396403754.db2.gz IAWWIUPDXYKIBC-OAHLLOKOSA-N 1 3 317.437 0.319 20 0 DCADHO CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000269493525 396418618 /nfs/dbraw/zinc/41/86/18/396418618.db2.gz CQYJXPLOTYZETE-QGZVFWFLSA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000269493525 396418619 /nfs/dbraw/zinc/41/86/19/396418619.db2.gz CQYJXPLOTYZETE-QGZVFWFLSA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C)CC(C)(CO)CO)CC1 ZINC000191555302 396421434 /nfs/dbraw/zinc/42/14/34/396421434.db2.gz CBOUCPWDSWFAAC-UHFFFAOYSA-N 1 3 301.475 0.325 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000191555302 396421438 /nfs/dbraw/zinc/42/14/38/396421438.db2.gz CBOUCPWDSWFAAC-UHFFFAOYSA-N 1 3 301.475 0.325 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000500181749 396495384 /nfs/dbraw/zinc/49/53/84/396495384.db2.gz JXRWBVBYJBIFSW-NWANDNLSSA-N 1 3 312.458 0.614 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000580785367 396500040 /nfs/dbraw/zinc/50/00/40/396500040.db2.gz BEZYBOYLYNRXTO-ZDUSSCGKSA-N 1 3 307.398 0.183 20 0 DCADHO COC[C@@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]C1 ZINC000580184066 396491659 /nfs/dbraw/zinc/49/16/59/396491659.db2.gz XWCSJMOOGKMYQG-MRXNPFEDSA-N 1 3 319.409 0.056 20 0 DCADHO N[C@H]1C[C@H]2CN(C(=O)[C@H]([NH3+])CC3CCCCC3)CCN2C1=O ZINC000594878116 396534155 /nfs/dbraw/zinc/53/41/55/396534155.db2.gz MWINLDMLTFMDIV-MJBXVCDLSA-N 1 3 308.426 0.055 20 0 DCADHO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000373160331 396570527 /nfs/dbraw/zinc/57/05/27/396570527.db2.gz RDTBEARFOOVYFN-MRXNPFEDSA-N 1 3 306.454 0.367 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373428575 396590984 /nfs/dbraw/zinc/59/09/84/396590984.db2.gz YREBLSFSZRCKJC-CJNGLKHVSA-N 1 3 301.394 0.429 20 0 DCADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@H]2CCC[C@H]21 ZINC000560528330 396619780 /nfs/dbraw/zinc/61/97/80/396619780.db2.gz PSBBOXSYJFKKSM-VNHYZAJKSA-N 1 3 303.410 0.669 20 0 DCADHO C[N@H+]1CC[C@H](NCCNC(=O)c2cnccn2)[C@H]2CCC[C@H]21 ZINC000560528330 396619782 /nfs/dbraw/zinc/61/97/82/396619782.db2.gz PSBBOXSYJFKKSM-VNHYZAJKSA-N 1 3 303.410 0.669 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000561256517 396636808 /nfs/dbraw/zinc/63/68/08/396636808.db2.gz CUOGDVYVFJKLED-AWEZNQCLSA-N 1 3 312.458 0.432 20 0 DCADHO COC(=O)CCN1CC[C@@H](N2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000595895806 396678474 /nfs/dbraw/zinc/67/84/74/396678474.db2.gz VUAKBBDLFKISOU-CYBMUJFWSA-N 1 3 309.410 0.226 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[NH2+]1 ZINC000562829684 396683400 /nfs/dbraw/zinc/68/34/00/396683400.db2.gz OFNGEZSFTPDXOK-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000562981605 396690245 /nfs/dbraw/zinc/69/02/45/396690245.db2.gz XIEWHXBCBZVYLL-OCCSQVGLSA-N 1 3 302.378 0.142 20 0 DCADHO C[C@]1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CCCCN1 ZINC000296371321 396706099 /nfs/dbraw/zinc/70/60/99/396706099.db2.gz JYVUCDJKLMYHMT-MRXNPFEDSA-N 1 3 303.410 0.962 20 0 DCADHO C[C@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CCC[NH2+]C1 ZINC000296517900 396706349 /nfs/dbraw/zinc/70/63/49/396706349.db2.gz RXMHEIWBIODTEE-INIZCTEOSA-N 1 3 303.410 0.819 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000563350509 396722103 /nfs/dbraw/zinc/72/21/03/396722103.db2.gz OVXMJDYXLPWESD-DLBZAZTESA-N 1 3 313.486 0.876 20 0 DCADHO O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629558708 396786473 /nfs/dbraw/zinc/78/64/73/396786473.db2.gz LZGZBUPRSUSGOF-INIZCTEOSA-N 1 3 323.412 0.531 20 0 DCADHO CCn1nc(C)c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000307971208 396756733 /nfs/dbraw/zinc/75/67/33/396756733.db2.gz HUXURCFNDKCCFC-AWEZNQCLSA-N 1 3 307.442 0.807 20 0 DCADHO CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000633944927 396758650 /nfs/dbraw/zinc/75/86/50/396758650.db2.gz SBJOYEIHDUYVQM-MRXNPFEDSA-N 1 3 320.481 0.853 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)N1CCN(C)CC1 ZINC000314016665 396776164 /nfs/dbraw/zinc/77/61/64/396776164.db2.gz HEDRTWXAUYDPTH-NEPJUHHUSA-N 1 3 306.401 0.357 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000634260001 396823986 /nfs/dbraw/zinc/82/39/86/396823986.db2.gz PBPYSPFTBHAMDF-JKSUJKDBSA-N 1 3 323.485 0.550 20 0 DCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564795216 396869241 /nfs/dbraw/zinc/86/92/41/396869241.db2.gz IOFSURQFLIIWAV-MGPQQGTHSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000564725875 396861962 /nfs/dbraw/zinc/86/19/62/396861962.db2.gz GPNSQFYJNGPCEQ-TYNCELHUSA-N 1 3 305.426 0.899 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)C2 ZINC000629595985 396802835 /nfs/dbraw/zinc/80/28/35/396802835.db2.gz OULQKCLQPCGMCH-CABCVRRESA-N 1 3 322.453 0.087 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@@H](NC[C@H](O)C[NH+]1CCCC1)C2 ZINC000629595985 396802841 /nfs/dbraw/zinc/80/28/41/396802841.db2.gz OULQKCLQPCGMCH-CABCVRRESA-N 1 3 322.453 0.087 20 0 DCADHO CCOC(=O)C1([C@H](C)NC[C@@H](C)S(C)(=O)=O)CC[NH2+]CC1 ZINC000596654219 396809749 /nfs/dbraw/zinc/80/97/49/396809749.db2.gz IAAIPLJMCRNNTE-NEPJUHHUSA-N 1 3 320.455 0.331 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332213368 396881284 /nfs/dbraw/zinc/88/12/84/396881284.db2.gz KDWCZYZYRMMPCX-IMJJTQAJSA-N 1 3 324.469 0.866 20 0 DCADHO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000564868925 396886100 /nfs/dbraw/zinc/88/61/00/396886100.db2.gz KVRSVQHNABUAEV-KLHDSHLOSA-N 1 3 301.475 0.775 20 0 DCADHO C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000332985466 396912110 /nfs/dbraw/zinc/91/21/10/396912110.db2.gz WALDTNHWLONMKS-WBVHZDCISA-N 1 3 309.454 0.870 20 0 DCADHO CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000333017381 396915332 /nfs/dbraw/zinc/91/53/32/396915332.db2.gz ZTMHIRAUFPCYAE-PMPSAXMXSA-N 1 3 324.469 0.710 20 0 DCADHO CCN(CCCC[N@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000571845518 396993204 /nfs/dbraw/zinc/99/32/04/396993204.db2.gz TYFBJETUUUJQQO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCCC[N@@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000571845518 396993206 /nfs/dbraw/zinc/99/32/06/396993206.db2.gz TYFBJETUUUJQQO-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000612332231 397030630 /nfs/dbraw/zinc/03/06/30/397030630.db2.gz TXBIBFPWGYASSZ-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000612332231 397030632 /nfs/dbraw/zinc/03/06/32/397030632.db2.gz TXBIBFPWGYASSZ-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CSC1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CCN(C)CC1 ZINC000597433422 396970762 /nfs/dbraw/zinc/97/07/62/396970762.db2.gz MAXZXRGNOHYVGU-ZDUSSCGKSA-N 1 3 300.472 0.865 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(CCCS(N)(=O)=O)C1 ZINC000350179926 397082932 /nfs/dbraw/zinc/08/29/32/397082932.db2.gz ATPLZMMHZCODII-CYBMUJFWSA-N 1 3 307.460 0.098 20 0 DCADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC2CNC2)c1 ZINC000572706218 397085844 /nfs/dbraw/zinc/08/58/44/397085844.db2.gz AFKSDHBZOWELBF-UHFFFAOYSA-N 1 3 318.421 0.233 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000572749618 397090688 /nfs/dbraw/zinc/09/06/88/397090688.db2.gz ZFYVWYWYHJIROX-GJZGRUSLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](CNC(=O)c1cnn(CCN(C)C)c1)C[NH+]1CCCC1 ZINC000630775827 397102551 /nfs/dbraw/zinc/10/25/51/397102551.db2.gz PDCPYRDEXDEWRT-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000601306963 397049412 /nfs/dbraw/zinc/04/94/12/397049412.db2.gz JBZLMADFAYKVHC-CQSZACIVSA-N 1 3 300.447 0.737 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)C1CCCC1 ZINC000573467297 397171335 /nfs/dbraw/zinc/17/13/35/397171335.db2.gz SBSWVWYLRXTOSH-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO COC(=O)[C@H]1CNCCCN1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000592487626 397190063 /nfs/dbraw/zinc/19/00/63/397190063.db2.gz WGPQAQDNVWUSHV-GOEBONIOSA-N 1 3 321.421 0.574 20 0 DCADHO CC[NH2+]CCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000573668182 397192049 /nfs/dbraw/zinc/19/20/49/397192049.db2.gz WMTVUIJWYAJWAM-AWEZNQCLSA-N 1 3 300.447 0.786 20 0 DCADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000592493951 397193033 /nfs/dbraw/zinc/19/30/33/397193033.db2.gz XJGWQULCYMVUSN-OLZOCXBDSA-N 1 3 308.426 0.686 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)[C@@H]2C1 ZINC000592564903 397217310 /nfs/dbraw/zinc/21/73/10/397217310.db2.gz SUAZJLBRGUMYBC-UMVBOHGHSA-N 1 3 317.437 0.885 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC1 ZINC000574179492 397242896 /nfs/dbraw/zinc/24/28/96/397242896.db2.gz TZVPPCSZSXIDRA-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CC[N@@H+](C2CCC2)C1 ZINC000574504754 397273289 /nfs/dbraw/zinc/27/32/89/397273289.db2.gz NJOJWPHAHGWGDF-DZGCQCFKSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CC[N@H+](C2CCC2)C1 ZINC000574504754 397273293 /nfs/dbraw/zinc/27/32/93/397273293.db2.gz NJOJWPHAHGWGDF-DZGCQCFKSA-N 1 3 310.442 0.491 20 0 DCADHO CN(CCOCC[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000626921477 397288758 /nfs/dbraw/zinc/28/87/58/397288758.db2.gz BLBSHQUUUBYCGN-INIZCTEOSA-N 1 3 320.437 0.878 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000574738991 397294323 /nfs/dbraw/zinc/29/43/23/397294323.db2.gz ZXHKUZONCRHVKR-CYBMUJFWSA-N 1 3 318.421 0.945 20 0 DCADHO CCN1CCC(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592954638 397299793 /nfs/dbraw/zinc/29/97/93/397299793.db2.gz CSARXFAWKXPHLC-GFCCVEGCSA-N 1 3 305.426 0.933 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410553606 397360232 /nfs/dbraw/zinc/36/02/32/397360232.db2.gz AQYCRJKUJIRPBX-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H]3CNc4ccnn4C3)C2)CC1 ZINC000602277183 397360586 /nfs/dbraw/zinc/36/05/86/397360586.db2.gz BPKXCIVDUVIQBW-CABCVRRESA-N 1 3 318.469 0.683 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCN(C2CCC2)C1 ZINC000577999376 397378145 /nfs/dbraw/zinc/37/81/45/397378145.db2.gz PZTMUVKZQQEXII-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000419290886 397379994 /nfs/dbraw/zinc/37/99/94/397379994.db2.gz WGGXSQINPLKLNB-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459706436 397434099 /nfs/dbraw/zinc/43/40/99/397434099.db2.gz NIVSXSUTLZNQGL-FUHWJXTLSA-N 1 3 319.449 0.614 20 0 DCADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459706436 397434107 /nfs/dbraw/zinc/43/41/07/397434107.db2.gz NIVSXSUTLZNQGL-FUHWJXTLSA-N 1 3 319.449 0.614 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@H]23)C[C@H](C)O1 ZINC000578618523 397460304 /nfs/dbraw/zinc/46/03/04/397460304.db2.gz CYTBDSQWQNYUSS-ZHCJQAHYSA-N 1 3 311.470 0.673 20 0 DCADHO COc1cnccc1N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000487599223 397476505 /nfs/dbraw/zinc/47/65/05/397476505.db2.gz OZOQCYOHLXYDEG-ZIAGYGMSSA-N 1 3 318.421 0.937 20 0 DCADHO COc1cnccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487599223 397476510 /nfs/dbraw/zinc/47/65/10/397476510.db2.gz OZOQCYOHLXYDEG-ZIAGYGMSSA-N 1 3 318.421 0.937 20 0 DCADHO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(C2CCCCC2)CC1 ZINC000371308830 397572439 /nfs/dbraw/zinc/57/24/39/397572439.db2.gz SIRTYQSXVYWTKF-KRWDZBQOSA-N 1 3 320.481 0.853 20 0 DCADHO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(C2CCCCC2)CC1 ZINC000371308830 397572441 /nfs/dbraw/zinc/57/24/41/397572441.db2.gz SIRTYQSXVYWTKF-KRWDZBQOSA-N 1 3 320.481 0.853 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494696859 397532786 /nfs/dbraw/zinc/53/27/86/397532786.db2.gz ACXPJCXBYHKIIW-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](CC[C@@H]3CCNC3=O)CC2)CC1 ZINC000579254333 397545557 /nfs/dbraw/zinc/54/55/57/397545557.db2.gz FYYJUKJMJMGUNA-INIZCTEOSA-N 1 3 322.497 0.862 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000579850294 397595647 /nfs/dbraw/zinc/59/56/47/397595647.db2.gz TUVCUXMYUBTQAM-LUKYLMHMSA-N 1 3 313.486 0.588 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000579850294 397595648 /nfs/dbraw/zinc/59/56/48/397595648.db2.gz TUVCUXMYUBTQAM-LUKYLMHMSA-N 1 3 313.486 0.588 20 0 DCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)NC(=O)NCC(F)(F)F ZINC000603435928 397611756 /nfs/dbraw/zinc/61/17/56/397611756.db2.gz ZZLDCNYNSXXDEX-SFYZADRCSA-N 1 3 310.320 0.480 20 0 DCADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C ZINC000608740552 397751053 /nfs/dbraw/zinc/75/10/53/397751053.db2.gz HREPBPNRDNQTMB-AWEZNQCLSA-N 1 3 302.463 0.792 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000333353096 296580759 /nfs/dbraw/zinc/58/07/59/296580759.db2.gz JWUNXSYPPUTPSU-DYEKYZERSA-N 1 3 300.472 0.721 20 0 DCADHO COCCCN(CC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000178956023 292340615 /nfs/dbraw/zinc/34/06/15/292340615.db2.gz NLZGKAFBTGBHIH-CQSZACIVSA-N 1 3 304.456 0.512 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 ZINC000050801188 158011895 /nfs/dbraw/zinc/01/18/95/158011895.db2.gz CQZHILCGTIUSFV-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000114076174 158150762 /nfs/dbraw/zinc/15/07/62/158150762.db2.gz JIQVHRDZIOSWOH-INIZCTEOSA-N 1 3 308.470 0.567 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000359278859 159261357 /nfs/dbraw/zinc/26/13/57/159261357.db2.gz UAAHYVPDNMGECD-CQSZACIVSA-N 1 3 314.474 0.632 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000359278859 159261359 /nfs/dbraw/zinc/26/13/59/159261359.db2.gz UAAHYVPDNMGECD-CQSZACIVSA-N 1 3 314.474 0.632 20 0 DCADHO C[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000332020771 286861187 /nfs/dbraw/zinc/86/11/87/286861187.db2.gz QWHREXHUMYXWAS-LSDHHAIUSA-N 1 3 312.458 0.866 20 0 DCADHO C[C@H]1CN(CCN(C)CC[N@H+](C)C2CCN(C)CC2)CCO1 ZINC000192780024 287059868 /nfs/dbraw/zinc/05/98/68/287059868.db2.gz MGBNAOAZYYKONJ-INIZCTEOSA-N 1 3 312.502 0.665 20 0 DCADHO C[C@H]1CN(CCN(C)CC[N@@H+](C)C2CCN(C)CC2)CCO1 ZINC000192780024 287059870 /nfs/dbraw/zinc/05/98/70/287059870.db2.gz MGBNAOAZYYKONJ-INIZCTEOSA-N 1 3 312.502 0.665 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)C[NH+]1CCCCC1 ZINC000420067764 298679877 /nfs/dbraw/zinc/67/98/77/298679877.db2.gz SZMXPLLTWRLWLD-OCCSQVGLSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1[NH3+] ZINC000415827403 287237694 /nfs/dbraw/zinc/23/76/94/287237694.db2.gz FOZGQCKDGPMPJF-BXUZGUMPSA-N 1 3 304.394 0.492 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418342558 287244822 /nfs/dbraw/zinc/24/48/22/287244822.db2.gz ITLKPVOBKMBCAQ-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419179324 287270798 /nfs/dbraw/zinc/27/07/98/287270798.db2.gz HYTRIIACNOCHMD-HIFRSBDPSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419179324 287270800 /nfs/dbraw/zinc/27/08/00/287270800.db2.gz HYTRIIACNOCHMD-HIFRSBDPSA-N 1 3 324.469 0.705 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000420336378 287291666 /nfs/dbraw/zinc/29/16/66/287291666.db2.gz MFALVIIYLYRUIV-HRCADAONSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000331634481 415160787 /nfs/dbraw/zinc/16/07/87/415160787.db2.gz SBCFYHFKFYMNCE-ILXRZTDVSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CC[NH2+]C1 ZINC000273073874 415308156 /nfs/dbraw/zinc/30/81/56/415308156.db2.gz WAIBKPKHCIOJBO-INIZCTEOSA-N 1 3 316.449 0.924 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000332335491 415350127 /nfs/dbraw/zinc/35/01/27/415350127.db2.gz RQJYSSRGSIXPBJ-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000332387509 415374155 /nfs/dbraw/zinc/37/41/55/415374155.db2.gz WDYGQNUVMLNJQL-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000089145786 415516314 /nfs/dbraw/zinc/51/63/14/415516314.db2.gz WUXGAYQKKXNXRO-UKRRQHHQSA-N 1 3 311.451 0.984 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000343265066 415519816 /nfs/dbraw/zinc/51/98/16/415519816.db2.gz AJGXLSKOYAWYIN-SJORKVTESA-N 1 3 320.481 0.853 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000343301142 415547913 /nfs/dbraw/zinc/54/79/13/415547913.db2.gz QJZGDCGQJRSONP-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000343301142 415547920 /nfs/dbraw/zinc/54/79/20/415547920.db2.gz QJZGDCGQJRSONP-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000353456272 415550122 /nfs/dbraw/zinc/55/01/22/415550122.db2.gz ZCGFRKQTCUHJTH-OAGGEKHMSA-N 1 3 310.486 0.763 20 0 DCADHO CO[C@H](CN)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000353454660 415550226 /nfs/dbraw/zinc/55/02/26/415550226.db2.gz VGEOOJDRTWFUCC-ZLKJLUDKSA-N 1 3 313.348 0.500 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000353473173 415557858 /nfs/dbraw/zinc/55/78/58/415557858.db2.gz UQKORSZESWCABN-HNNXBMFYSA-N 1 3 307.394 0.556 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CCSC1 ZINC000333128771 415562820 /nfs/dbraw/zinc/56/28/20/415562820.db2.gz BMJIBWLXHFKWLV-GXTWGEPZSA-N 1 3 316.471 0.101 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000353513338 415576389 /nfs/dbraw/zinc/57/63/89/415576389.db2.gz LCDIOWXVMNPLGA-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000103448673 415618389 /nfs/dbraw/zinc/61/83/89/415618389.db2.gz LGCMVYISDITKRI-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000103448673 415618394 /nfs/dbraw/zinc/61/83/94/415618394.db2.gz LGCMVYISDITKRI-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[NH+](CC)CC(=O)N1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000103448673 415618398 /nfs/dbraw/zinc/61/83/98/415618398.db2.gz LGCMVYISDITKRI-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO NC(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C(F)(F)F ZINC000353532533 415580225 /nfs/dbraw/zinc/58/02/25/415580225.db2.gz VIQJTNDEHXYUTP-SNVBAGLBSA-N 1 3 309.332 0.637 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000333543949 415677842 /nfs/dbraw/zinc/67/78/42/415677842.db2.gz IICQAKHYLPCKAA-UONOGXRCSA-N 1 3 306.414 0.112 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](n3ccnn3)C2)C1 ZINC000333543949 415677847 /nfs/dbraw/zinc/67/78/47/415677847.db2.gz IICQAKHYLPCKAA-UONOGXRCSA-N 1 3 306.414 0.112 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000333677817 415713126 /nfs/dbraw/zinc/71/31/26/415713126.db2.gz OIHDTOFYUOQTLA-HUUCEWRRSA-N 1 3 310.442 0.635 20 0 DCADHO CC[C@@]1(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CCC[NH2+]1 ZINC000343763160 415715410 /nfs/dbraw/zinc/71/54/10/415715410.db2.gz GNZWWMAEGGNWSW-KRWDZBQOSA-N 1 3 324.469 0.578 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000289751690 415715919 /nfs/dbraw/zinc/71/59/19/415715919.db2.gz HPEPGLNDAOEZHD-OAHLLOKOSA-N 1 3 321.421 0.905 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000289751690 415715923 /nfs/dbraw/zinc/71/59/23/415715923.db2.gz HPEPGLNDAOEZHD-OAHLLOKOSA-N 1 3 321.421 0.905 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000333826758 415747016 /nfs/dbraw/zinc/74/70/16/415747016.db2.gz LSTKWHSMQYWSRZ-FMKPAKJESA-N 1 3 324.469 0.879 20 0 DCADHO CO[C@H](CN)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000290041867 415753423 /nfs/dbraw/zinc/75/34/23/415753423.db2.gz GREWRQQYXWYHTH-OAHLLOKOSA-N 1 3 309.410 0.259 20 0 DCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343961182 415800810 /nfs/dbraw/zinc/80/08/10/415800810.db2.gz SOGFSSQJODHFAV-IAGOWNOFSA-N 1 3 320.481 0.567 20 0 DCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343961182 415800818 /nfs/dbraw/zinc/80/08/18/415800818.db2.gz SOGFSSQJODHFAV-IAGOWNOFSA-N 1 3 320.481 0.567 20 0 DCADHO O[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000344026991 415822634 /nfs/dbraw/zinc/82/26/34/415822634.db2.gz KJIZKVAOHFVONU-XTKFNGDPSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2C[N@H+](C/C=C/CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000344026991 415822641 /nfs/dbraw/zinc/82/26/41/415822641.db2.gz KJIZKVAOHFVONU-XTKFNGDPSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2CN(C/C=C/C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000344026991 415822646 /nfs/dbraw/zinc/82/26/46/415822646.db2.gz KJIZKVAOHFVONU-XTKFNGDPSA-N 1 3 306.450 0.948 20 0 DCADHO O[C@@H]1CC[C@@H]2CN(C/C=C/C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000344026991 415822650 /nfs/dbraw/zinc/82/26/50/415822650.db2.gz KJIZKVAOHFVONU-XTKFNGDPSA-N 1 3 306.450 0.948 20 0 DCADHO CN1CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000356423036 415918977 /nfs/dbraw/zinc/91/89/77/415918977.db2.gz WNHPIEFZRGEVQO-UHFFFAOYSA-N 1 3 324.469 0.979 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000130520914 415919728 /nfs/dbraw/zinc/91/97/28/415919728.db2.gz OMWDYRDCJLLUTR-UHFFFAOYSA-N 1 3 324.400 0.716 20 0 DCADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000168769733 416025760 /nfs/dbraw/zinc/02/57/60/416025760.db2.gz QKYQTFIXNMTOOY-DZGCQCFKSA-N 1 3 307.394 0.678 20 0 DCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338024569 416034870 /nfs/dbraw/zinc/03/48/70/416034870.db2.gz UVKGWEATIXUGHR-GARJFASQSA-N 1 3 310.364 0.312 20 0 DCADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](N)CC(F)F)CC1 ZINC000345694068 416135761 /nfs/dbraw/zinc/13/57/61/416135761.db2.gz DADRUNWBTGUXGH-GFCCVEGCSA-N 1 3 307.385 0.975 20 0 DCADHO CCOCCCN1CC[C@H]([NH2+]C[C@]2(O)CCN(C)C2)[C@H](C)C1 ZINC000358227361 416215643 /nfs/dbraw/zinc/21/56/43/416215643.db2.gz DWDPWLJVGMXRDU-IXDOHACOSA-N 1 3 313.486 0.780 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000339753042 416165421 /nfs/dbraw/zinc/16/54/21/416165421.db2.gz JSOSXMRZMWKESD-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CC(N)=O)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000341904028 416249620 /nfs/dbraw/zinc/24/96/20/416249620.db2.gz UOWVUULMRKXOSP-AWEZNQCLSA-N 1 3 305.426 0.447 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188754897 416264680 /nfs/dbraw/zinc/26/46/80/416264680.db2.gz WQDISZYVCWBEJY-UHFFFAOYSA-N 1 3 321.425 0.286 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358862382 416286711 /nfs/dbraw/zinc/28/67/11/416286711.db2.gz UUGPXLIWSIKOHE-HNNXBMFYSA-N 1 3 311.401 0.953 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358862382 416286716 /nfs/dbraw/zinc/28/67/16/416286716.db2.gz UUGPXLIWSIKOHE-HNNXBMFYSA-N 1 3 311.401 0.953 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000358942780 416295019 /nfs/dbraw/zinc/29/50/19/416295019.db2.gz NTCCKZJCADLHLZ-MRXNPFEDSA-N 1 3 320.437 0.464 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552165 416335487 /nfs/dbraw/zinc/33/54/87/416335487.db2.gz QZRDWUXSYDIWHY-FVQBIDKESA-N 1 3 305.422 0.987 20 0 DCADHO CO[C@H](CN)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552165 416335488 /nfs/dbraw/zinc/33/54/88/416335488.db2.gz QZRDWUXSYDIWHY-FVQBIDKESA-N 1 3 305.422 0.987 20 0 DCADHO C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCNCC1 ZINC000261637839 416335542 /nfs/dbraw/zinc/33/55/42/416335542.db2.gz IGJTXAHMMQXIKU-KBPBESRZSA-N 1 3 303.472 0.732 20 0 DCADHO C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCNCC1 ZINC000261637839 416335543 /nfs/dbraw/zinc/33/55/43/416335543.db2.gz IGJTXAHMMQXIKU-KBPBESRZSA-N 1 3 303.472 0.732 20 0 DCADHO CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]CC1 ZINC000261637839 416335544 /nfs/dbraw/zinc/33/55/44/416335544.db2.gz IGJTXAHMMQXIKU-KBPBESRZSA-N 1 3 303.472 0.732 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415508012 416345823 /nfs/dbraw/zinc/34/58/23/416345823.db2.gz DZRPCBIFRAJECS-LLVKDONJSA-N 1 3 306.410 0.706 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415730709 416352320 /nfs/dbraw/zinc/35/23/20/416352320.db2.gz FFGKWRFLWHNREV-UHFFFAOYSA-N 1 3 304.394 0.159 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCCO1 ZINC000418119172 416385680 /nfs/dbraw/zinc/38/56/80/416385680.db2.gz ULZBINJRTSCBDV-ILXRZTDVSA-N 1 3 312.458 0.914 20 0 DCADHO CN1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418830950 416390899 /nfs/dbraw/zinc/39/08/99/416390899.db2.gz ITXGHFHVVXUZPS-ZDUSSCGKSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)[C@H](CNC(=O)C(=O)NCCCC[NH3+])Cc1ccccc1 ZINC000418830229 416391080 /nfs/dbraw/zinc/39/10/80/416391080.db2.gz FPRFKZPDRFHALK-HNNXBMFYSA-N 1 3 320.437 0.131 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)CNC(=O)[C@H](CC)N(C)C)N(C)C ZINC000360646300 416400937 /nfs/dbraw/zinc/40/09/37/416400937.db2.gz CNMBGAIBHFZCSP-ZSOGYDGISA-N 1 3 314.474 0.535 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)CNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000360646300 416400938 /nfs/dbraw/zinc/40/09/38/416400938.db2.gz CNMBGAIBHFZCSP-ZSOGYDGISA-N 1 3 314.474 0.535 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000360646300 416400940 /nfs/dbraw/zinc/40/09/40/416400940.db2.gz CNMBGAIBHFZCSP-ZSOGYDGISA-N 1 3 314.474 0.535 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])C1CC1 ZINC000419501229 416402597 /nfs/dbraw/zinc/40/25/97/416402597.db2.gz AXUDCUQRKURXQJ-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419528525 416403337 /nfs/dbraw/zinc/40/33/37/416403337.db2.gz WGFRFTIMQQMJLC-UKRRQHHQSA-N 1 3 320.437 0.649 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419528525 416403338 /nfs/dbraw/zinc/40/33/38/416403338.db2.gz WGFRFTIMQQMJLC-UKRRQHHQSA-N 1 3 320.437 0.649 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C1=CCN(C)CC1 ZINC000419623055 416404204 /nfs/dbraw/zinc/40/42/04/416404204.db2.gz HPBLROLFGKRLIB-SWLSCSKDSA-N 1 3 322.453 0.387 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[NH2+]1 ZINC000419754567 416409244 /nfs/dbraw/zinc/40/92/44/416409244.db2.gz ANNHIYMQUNQQFR-RDBSUJKOSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H]2CN)CCCCC1 ZINC000419822137 416413364 /nfs/dbraw/zinc/41/33/64/416413364.db2.gz OWEIYQKZLLTZRG-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000423217277 416478756 /nfs/dbraw/zinc/47/87/56/416478756.db2.gz PVGXGKZZJKAOGI-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C1=CCN(C)CC1 ZINC000458638870 416487809 /nfs/dbraw/zinc/48/78/09/416487809.db2.gz UDKPNRFWWNVCDX-GDBMZVCRSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)C1=CCN(C)CC1 ZINC000458638870 416487816 /nfs/dbraw/zinc/48/78/16/416487816.db2.gz UDKPNRFWWNVCDX-GDBMZVCRSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@H+](C)C1CC1 ZINC000458280518 416446677 /nfs/dbraw/zinc/44/66/77/416446677.db2.gz CYWBYLLBEBELFH-KGLIPLIRSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@@H+](C)C1CC1 ZINC000458280518 416446682 /nfs/dbraw/zinc/44/66/82/416446682.db2.gz CYWBYLLBEBELFH-KGLIPLIRSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000422972442 416453312 /nfs/dbraw/zinc/45/33/12/416453312.db2.gz LQDXUYDSYZYQDS-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC1CC[NH+](C[C@H](O)CN[C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000422981452 416456266 /nfs/dbraw/zinc/45/62/66/416456266.db2.gz SWEBCGDSGCEYBK-IXDOHACOSA-N 1 3 311.470 0.436 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459304372 416530298 /nfs/dbraw/zinc/53/02/98/416530298.db2.gz LIICEGDMMUROFX-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO CCN(CCO)CCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459304372 416530304 /nfs/dbraw/zinc/53/03/04/416530304.db2.gz LIICEGDMMUROFX-CQSZACIVSA-N 1 3 300.447 0.332 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000423717599 416544924 /nfs/dbraw/zinc/54/49/24/416544924.db2.gz BCTCLBDTJLJARE-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000423717599 416544927 /nfs/dbraw/zinc/54/49/27/416544927.db2.gz BCTCLBDTJLJARE-QLFBSQMISA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)[C@H]1C[NH3+] ZINC000423721861 416547678 /nfs/dbraw/zinc/54/76/78/416547678.db2.gz FNDLJLQEZPYQCY-RDBSUJKOSA-N 1 3 310.442 0.125 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423758321 416562357 /nfs/dbraw/zinc/56/23/57/416562357.db2.gz NAXIMFYCVKJURC-NVXWUHKLSA-N 1 3 308.470 0.472 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)[C@H]1C[NH3+] ZINC000423718389 416548161 /nfs/dbraw/zinc/54/81/61/416548161.db2.gz BWMZAMYQJSZOJZ-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000436489592 416561230 /nfs/dbraw/zinc/56/12/30/416561230.db2.gz QVPZPPPGBHBOAG-ZDUSSCGKSA-N 1 3 308.430 0.860 20 0 DCADHO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)NC1CCN(C2CC2)CC1 ZINC000435240773 416516276 /nfs/dbraw/zinc/51/62/76/416516276.db2.gz CILHQTDUQWCHAS-INIZCTEOSA-N 1 3 306.454 0.556 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)CC1 ZINC000364851028 416594088 /nfs/dbraw/zinc/59/40/88/416594088.db2.gz NOPIHDYRJKUBKS-OAGGEKHMSA-N 1 3 308.470 0.741 20 0 DCADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCC[NH2+]C)CC1=O ZINC000424015761 416604595 /nfs/dbraw/zinc/60/45/95/416604595.db2.gz AEOADYSAKRMSKR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000424139036 416615144 /nfs/dbraw/zinc/61/51/44/416615144.db2.gz DBDMBKATNDVUGW-IKGGRYGDSA-N 1 3 316.449 0.829 20 0 DCADHO CCN1CCC(N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424129104 416614272 /nfs/dbraw/zinc/61/42/72/416614272.db2.gz GAQRKXXDYNPWAQ-CQSZACIVSA-N 1 3 320.441 0.759 20 0 DCADHO CN1CC=C(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000539456149 416579802 /nfs/dbraw/zinc/57/98/02/416579802.db2.gz IXHKFARHRXOGFO-UHFFFAOYSA-N 1 3 306.414 0.828 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCN1C ZINC000424137485 416615701 /nfs/dbraw/zinc/61/57/01/416615701.db2.gz BZDOGNAMLKWWFS-JHJVBQTASA-N 1 3 306.414 0.415 20 0 DCADHO C[C@@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@H]1CCC[NH2+]C1 ZINC000424249568 416632257 /nfs/dbraw/zinc/63/22/57/416632257.db2.gz YHNQDWHSAAEDLB-DARAHFNDSA-N 1 3 319.453 0.699 20 0 DCADHO CCCNC(=O)CN(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299888 416636577 /nfs/dbraw/zinc/63/65/77/416636577.db2.gz WDECYMXPWMXJFR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCc1cccs1 ZINC000424329931 416636920 /nfs/dbraw/zinc/63/69/20/416636920.db2.gz HJSIPJCSFLJPQU-VXGBXAGGSA-N 1 3 310.423 0.933 20 0 DCADHO O=C(CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000543180004 416637975 /nfs/dbraw/zinc/63/79/75/416637975.db2.gz CZPVOLOZAXPEPO-APHBMKBZSA-N 1 3 307.438 0.432 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424464267 416649845 /nfs/dbraw/zinc/64/98/45/416649845.db2.gz PNHDHHADBFCYNX-LSDHHAIUSA-N 1 3 322.457 0.588 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424464267 416649851 /nfs/dbraw/zinc/64/98/51/416649851.db2.gz PNHDHHADBFCYNX-LSDHHAIUSA-N 1 3 322.457 0.588 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC000609291428 416653747 /nfs/dbraw/zinc/65/37/47/416653747.db2.gz UHUGFNBZIKUUNM-HZPDHXFCSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC000609291428 416653751 /nfs/dbraw/zinc/65/37/51/416653751.db2.gz UHUGFNBZIKUUNM-HZPDHXFCSA-N 1 3 323.485 0.502 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000611757100 416665461 /nfs/dbraw/zinc/66/54/61/416665461.db2.gz DSZYWHAOKOXGGK-HIFRSBDPSA-N 1 3 322.453 0.354 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000611757100 416665463 /nfs/dbraw/zinc/66/54/63/416665463.db2.gz DSZYWHAOKOXGGK-HIFRSBDPSA-N 1 3 322.453 0.354 20 0 DCADHO [NH3+]CCCc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228644 416747092 /nfs/dbraw/zinc/74/70/92/416747092.db2.gz BVMMGIBSUUNMLX-QGZVFWFLSA-N 1 3 315.421 0.806 20 0 DCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C[C@H]2CCc3ncnn32)CC1 ZINC000631828454 416751607 /nfs/dbraw/zinc/75/16/07/416751607.db2.gz PJAXUOGKWQCCSE-IIAWOOMASA-N 1 3 305.426 0.984 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000557137219 416726135 /nfs/dbraw/zinc/72/61/35/416726135.db2.gz CDWHNAFTMFADKP-JKSUJKDBSA-N 1 3 318.421 0.630 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000557318929 416731091 /nfs/dbraw/zinc/73/10/91/416731091.db2.gz DXINBVFKVUFXFN-CYBMUJFWSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000631859654 416768768 /nfs/dbraw/zinc/76/87/68/416768768.db2.gz BVPKXJYJMGGCQV-VNQPRFMTSA-N 1 3 304.438 0.827 20 0 DCADHO CN(C)CCN(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000426551201 416773371 /nfs/dbraw/zinc/77/33/71/416773371.db2.gz FJGWGAXQQKTXMV-HUUCEWRRSA-N 1 3 312.458 0.567 20 0 DCADHO CN1CCC[C@@H](CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631927804 416807203 /nfs/dbraw/zinc/80/72/03/416807203.db2.gz JCTDYPOQESXSGK-AWEZNQCLSA-N 1 3 303.472 0.734 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000631940807 416819199 /nfs/dbraw/zinc/81/91/99/416819199.db2.gz HBKHTUXUZPRWOQ-UONOGXRCSA-N 1 3 303.472 0.589 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000631943430 416821793 /nfs/dbraw/zinc/82/17/93/416821793.db2.gz WLEQXJJPAGCODT-ZIAGYGMSSA-N 1 3 303.472 0.874 20 0 DCADHO CN(C)CCCS(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000632010007 416865134 /nfs/dbraw/zinc/86/51/34/416865134.db2.gz LFWBHYORMZSTQE-AWEZNQCLSA-N 1 3 321.487 0.094 20 0 DCADHO CN(C)CCCS(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000632010007 416865141 /nfs/dbraw/zinc/86/51/41/416865141.db2.gz LFWBHYORMZSTQE-AWEZNQCLSA-N 1 3 321.487 0.094 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369860944 416837001 /nfs/dbraw/zinc/83/70/01/416837001.db2.gz RAISRSHTQLAEFR-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369860944 416837004 /nfs/dbraw/zinc/83/70/04/416837004.db2.gz RAISRSHTQLAEFR-KFWWJZLASA-N 1 3 310.442 0.633 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000560314654 416837408 /nfs/dbraw/zinc/83/74/08/416837408.db2.gz CKMOEGUINGYNLX-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](C(=O)N1CCCC1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000520413015 416963312 /nfs/dbraw/zinc/96/33/12/416963312.db2.gz JDRPKHXOTSNMFD-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO Nc1nc(N)nc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000623901909 416916804 /nfs/dbraw/zinc/91/68/04/416916804.db2.gz WRNOSBFLUGUHNO-ZDUSSCGKSA-N 1 3 313.409 0.443 20 0 DCADHO Nc1nc(N)nc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623901909 416916807 /nfs/dbraw/zinc/91/68/07/416916807.db2.gz WRNOSBFLUGUHNO-ZDUSSCGKSA-N 1 3 313.409 0.443 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637002700 416947480 /nfs/dbraw/zinc/94/74/80/416947480.db2.gz USGZGQSYDNTJKB-LSDHHAIUSA-N 1 3 311.474 0.454 20 0 DCADHO C[NH2+][C@@H](C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000565212528 416949231 /nfs/dbraw/zinc/94/92/31/416949231.db2.gz BMGLQRKUVUGAAW-INIZCTEOSA-N 1 3 318.465 0.871 20 0 DCADHO COC[C@@]1(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)CCC[NH2+]1 ZINC000521591166 417018619 /nfs/dbraw/zinc/01/86/19/417018619.db2.gz QIGBIELNWHYVNC-CVEARBPZSA-N 1 3 310.442 0.492 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000520564801 416969903 /nfs/dbraw/zinc/96/99/03/416969903.db2.gz AMMDJUCCSSZXJU-ZIAGYGMSSA-N 1 3 318.487 0.379 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000520775943 416973326 /nfs/dbraw/zinc/97/33/26/416973326.db2.gz SCSOZVPTUPEXDJ-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000565415999 416975907 /nfs/dbraw/zinc/97/59/07/416975907.db2.gz SPXMUSLBJRRBRY-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NCCN1CCCCCC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000565715335 417009755 /nfs/dbraw/zinc/00/97/55/417009755.db2.gz YAXQMCFFLZPWAP-CQSZACIVSA-N 1 3 320.441 0.808 20 0 DCADHO [NH3+]C/C=C/CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000641862793 417013286 /nfs/dbraw/zinc/01/32/86/417013286.db2.gz RYHLPLHVPSKAPR-LAQIPUCWSA-N 1 3 318.421 0.438 20 0 DCADHO C[NH+](C)CCOc1ccccc1CNC(=O)COC1CNC1 ZINC000431033027 417099586 /nfs/dbraw/zinc/09/95/86/417099586.db2.gz FWDMEDRJCOLGNX-UHFFFAOYSA-N 1 3 307.394 0.232 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785763 417101334 /nfs/dbraw/zinc/10/13/34/417101334.db2.gz HVVXUZFTTMXUGH-ZIAGYGMSSA-N 1 3 310.442 0.221 20 0 DCADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000389555796 417101690 /nfs/dbraw/zinc/10/16/90/417101690.db2.gz UXJBIOCQIJTSPK-PMPSAXMXSA-N 1 3 305.422 0.375 20 0 DCADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000389555796 417101699 /nfs/dbraw/zinc/10/16/99/417101699.db2.gz UXJBIOCQIJTSPK-PMPSAXMXSA-N 1 3 305.422 0.375 20 0 DCADHO CNC(=O)[C@@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000389555796 417101708 /nfs/dbraw/zinc/10/17/08/417101708.db2.gz UXJBIOCQIJTSPK-PMPSAXMXSA-N 1 3 305.422 0.375 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642329751 417044637 /nfs/dbraw/zinc/04/46/37/417044637.db2.gz AJPYTMIDTARSCM-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@](C[NH3+])(NCCC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000430563692 287346304 /nfs/dbraw/zinc/34/63/04/287346304.db2.gz WZMZIIFPRMBVMG-LLVKDONJSA-N 1 3 310.320 0.482 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000642439354 417051335 /nfs/dbraw/zinc/05/13/35/417051335.db2.gz CEGKOJUZAIVGRR-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000642439359 417052387 /nfs/dbraw/zinc/05/23/87/417052387.db2.gz CKOZSNQDEUTVGC-BBRMVZONSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N1CCC[C@@H](N2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430659675 417054646 /nfs/dbraw/zinc/05/46/46/417054646.db2.gz BNHGREJVRQXSKE-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO COCC[C@]1(C(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]C1 ZINC000430688032 417057819 /nfs/dbraw/zinc/05/78/19/417057819.db2.gz UHZVSLVWAWPLRX-CABCVRRESA-N 1 3 315.483 0.556 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCC(C)CC1 ZINC000642644511 417066366 /nfs/dbraw/zinc/06/63/66/417066366.db2.gz VPZHNEUBSATVHQ-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000430801609 417068543 /nfs/dbraw/zinc/06/85/43/417068543.db2.gz FDJNTTHOUQLQPK-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000430801609 417068549 /nfs/dbraw/zinc/06/85/49/417068549.db2.gz FDJNTTHOUQLQPK-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000568075184 417076472 /nfs/dbraw/zinc/07/64/72/417076472.db2.gz AHDBHZPLQKDZME-PBHICJAKSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000642732186 417085010 /nfs/dbraw/zinc/08/50/10/417085010.db2.gz VTBIIGUVSPJCNP-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000642773347 417093502 /nfs/dbraw/zinc/09/35/02/417093502.db2.gz SQNHBWFNMIBVJL-YOEHRIQHSA-N 1 3 322.453 0.189 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000523819393 417095851 /nfs/dbraw/zinc/09/58/51/417095851.db2.gz TVIBAIZIDVWDMC-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000523819393 417095865 /nfs/dbraw/zinc/09/58/65/417095865.db2.gz TVIBAIZIDVWDMC-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO [NH3+]CCOCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390981530 417104517 /nfs/dbraw/zinc/10/45/17/417104517.db2.gz WEAUUZIVEQQBJG-INIZCTEOSA-N 1 3 321.421 0.369 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000430730395 287351527 /nfs/dbraw/zinc/35/15/27/287351527.db2.gz IWZPXJBUZLKADC-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000430735098 287351697 /nfs/dbraw/zinc/35/16/97/287351697.db2.gz XZQDVSVZGANVAA-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856985 417209236 /nfs/dbraw/zinc/20/92/36/417209236.db2.gz RQRKSDLVMDIJOD-CVEARBPZSA-N 1 3 307.438 0.840 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000569441175 417250106 /nfs/dbraw/zinc/25/01/06/417250106.db2.gz DMZYPYOEOIDCSG-UHFFFAOYSA-N 1 3 320.437 0.480 20 0 DCADHO CN(C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C1CCN(C)CC1 ZINC000433385388 417263088 /nfs/dbraw/zinc/26/30/88/417263088.db2.gz MIQKGICDVMGQGY-AWEZNQCLSA-N 1 3 305.426 0.974 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638159529 417359315 /nfs/dbraw/zinc/35/93/15/417359315.db2.gz XUOCALZWJIVMFW-NUEKZKHPSA-N 1 3 304.438 0.641 20 0 DCADHO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000570509110 417361380 /nfs/dbraw/zinc/36/13/80/417361380.db2.gz SQTCYVKZZUMTGL-JONQDZQNSA-N 1 3 301.475 0.776 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000638051207 417300959 /nfs/dbraw/zinc/30/09/59/417300959.db2.gz YUTOFOOJZNYTDE-HNNXBMFYSA-N 1 3 306.454 0.902 20 0 DCADHO CN(C(=O)Nc1cnn(C2CCN(C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000632960129 417301790 /nfs/dbraw/zinc/30/17/90/417301790.db2.gz CQWWUQVIOANKIO-AWEZNQCLSA-N 1 3 306.414 0.975 20 0 DCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN3CCNCC3)C2)CC1 ZINC000638084313 417318667 /nfs/dbraw/zinc/31/86/67/417318667.db2.gz DVCTUKBMZANGSC-KRWDZBQOSA-N 1 3 322.497 0.862 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570160118 417319643 /nfs/dbraw/zinc/31/96/43/417319643.db2.gz XPPWNZHOXVTQKB-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000627275235 417324187 /nfs/dbraw/zinc/32/41/87/417324187.db2.gz GDTATOOXVLFUFF-OWCLPIDISA-N 1 3 305.422 0.371 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000627275235 417324197 /nfs/dbraw/zinc/32/41/97/417324197.db2.gz GDTATOOXVLFUFF-OWCLPIDISA-N 1 3 305.422 0.371 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)ccc1CN(C)C ZINC000633037959 417331417 /nfs/dbraw/zinc/33/14/17/417331417.db2.gz FGYCGBDNYAYWRE-JSGCOSHPSA-N 1 3 318.421 0.943 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000415129166 417332855 /nfs/dbraw/zinc/33/28/55/417332855.db2.gz USNYCHLXAQFMDK-UHFFFAOYSA-N 1 3 318.421 0.899 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000638118359 417337455 /nfs/dbraw/zinc/33/74/55/417337455.db2.gz YBWNJEHQCOPPIV-KGLIPLIRSA-N 1 3 311.426 0.254 20 0 DCADHO CC1CCC(N2CCN(C(=O)CN3CC[NH2+]CC3)CC2)CC1 ZINC000638117350 417339595 /nfs/dbraw/zinc/33/95/95/417339595.db2.gz QUFSLJRPTNSTKY-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](N2CCCC2)C1 ZINC000633080385 417345685 /nfs/dbraw/zinc/34/56/85/417345685.db2.gz DERCJFAYUNFRIF-ZNMIVQPWSA-N 1 3 320.437 0.036 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000633197933 417387821 /nfs/dbraw/zinc/38/78/21/417387821.db2.gz VNWDVXINKYFXFS-JKSUJKDBSA-N 1 3 308.470 0.423 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@H+]1C ZINC000633197933 417387828 /nfs/dbraw/zinc/38/78/28/417387828.db2.gz VNWDVXINKYFXFS-JKSUJKDBSA-N 1 3 308.470 0.423 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CN1C1CC1 ZINC000570813920 417394527 /nfs/dbraw/zinc/39/45/27/417394527.db2.gz LEHVUMRLZJHVJA-OLZOCXBDSA-N 1 3 305.426 0.800 20 0 DCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CN1CC[NH2+]CC1 ZINC000638277938 417402714 /nfs/dbraw/zinc/40/27/14/417402714.db2.gz XKRCMLVRJCKGRG-UHFFFAOYSA-N 1 3 322.428 0.621 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638332727 417424266 /nfs/dbraw/zinc/42/42/66/417424266.db2.gz QVJAZPFXFREXNE-JKSUJKDBSA-N 1 3 304.438 0.641 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000638175692 417365749 /nfs/dbraw/zinc/36/57/49/417365749.db2.gz JRNBFGBOFQKWIL-INIZCTEOSA-N 1 3 302.422 0.482 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000633117115 417370957 /nfs/dbraw/zinc/37/09/57/417370957.db2.gz ZMXSVDPCEFBRNJ-HZSPNIEDSA-N 1 3 308.426 0.021 20 0 DCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638223987 417382154 /nfs/dbraw/zinc/38/21/54/417382154.db2.gz GHZGIMGADIJEKS-JYJNAYRXSA-N 1 3 322.428 0.604 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000570710193 417382848 /nfs/dbraw/zinc/38/28/48/417382848.db2.gz MNUHSWGJTVZGMI-REBRKWNGSA-N 1 3 320.441 0.374 20 0 DCADHO CN1CCN(Cc2ccc(CNC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000574914289 417490321 /nfs/dbraw/zinc/49/03/21/417490321.db2.gz HOOPEXGSYWOXFY-UHFFFAOYSA-N 1 3 316.449 0.932 20 0 DCADHO C[NH+]1CCC(CNCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638567097 417490589 /nfs/dbraw/zinc/49/05/89/417490589.db2.gz VKRILYOIBAAZCT-UHFFFAOYSA-N 1 3 303.453 0.827 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCCN(CCCO)C1 ZINC000529349936 417446074 /nfs/dbraw/zinc/44/60/74/417446074.db2.gz IPMMREUKPRRFRD-ZIAGYGMSSA-N 1 3 310.442 0.417 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529352716 417447607 /nfs/dbraw/zinc/44/76/07/417447607.db2.gz SNNLEJJZAZBNON-ZIAGYGMSSA-N 1 3 310.442 0.417 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[NH+](C)C ZINC000638407482 417448063 /nfs/dbraw/zinc/44/80/63/417448063.db2.gz AIIGYMUXPXDTFA-HOCLYGCPSA-N 1 3 306.454 0.902 20 0 DCADHO CC(C)COC[C@@H](O)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638413724 417450321 /nfs/dbraw/zinc/45/03/21/417450321.db2.gz DVWBMIOCWPKCLX-HNNXBMFYSA-N 1 3 302.459 0.845 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638491776 417472433 /nfs/dbraw/zinc/47/24/33/417472433.db2.gz MPMNPTDIMBAKCR-SJORKVTESA-N 1 3 318.465 0.902 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638491776 417472441 /nfs/dbraw/zinc/47/24/41/417472441.db2.gz MPMNPTDIMBAKCR-SJORKVTESA-N 1 3 318.465 0.902 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526772 417481783 /nfs/dbraw/zinc/48/17/83/417481783.db2.gz PRCNNNDKHMZFLL-WFASDCNBSA-N 1 3 318.421 0.915 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638527740 417482274 /nfs/dbraw/zinc/48/22/74/417482274.db2.gz XLLGBHCAGWYBIS-CQSZACIVSA-N 1 3 322.409 0.280 20 0 DCADHO CN1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000644149178 417482584 /nfs/dbraw/zinc/48/25/84/417482584.db2.gz FYJRRAIUAJVFEV-OCCSQVGLSA-N 1 3 306.414 0.183 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000638525759 417483160 /nfs/dbraw/zinc/48/31/60/417483160.db2.gz DFFHYHQXIMQWKC-FICVDOATSA-N 1 3 316.405 0.382 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000638592880 417498446 /nfs/dbraw/zinc/49/84/46/417498446.db2.gz UHQRBFILJTWESJ-DVOMOZLQSA-N 1 3 313.442 0.213 20 0 DCADHO CC[N@H+](C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530824126 417591655 /nfs/dbraw/zinc/59/16/55/417591655.db2.gz IQAZASRFLRTKON-KRWDZBQOSA-N 1 3 305.422 0.691 20 0 DCADHO CC[N@@H+](C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530824126 417591658 /nfs/dbraw/zinc/59/16/58/417591658.db2.gz IQAZASRFLRTKON-KRWDZBQOSA-N 1 3 305.422 0.691 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)CCOC3CNC3)cn2)CC1 ZINC000638977545 417595033 /nfs/dbraw/zinc/59/50/33/417595033.db2.gz MGJQKPVRLLOONC-UHFFFAOYSA-N 1 3 307.398 0.467 20 0 DCADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638849084 417568752 /nfs/dbraw/zinc/56/87/52/417568752.db2.gz CAFSIKHCTNTPLP-MXASKKJJSA-N 1 3 317.433 0.987 20 0 DCADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638849084 417568756 /nfs/dbraw/zinc/56/87/56/417568756.db2.gz CAFSIKHCTNTPLP-MXASKKJJSA-N 1 3 317.433 0.987 20 0 DCADHO CN1CCC(C[NH2+]CCC[C@H]2CCO2)(N2CCOCC2)CC1 ZINC000639262153 417647293 /nfs/dbraw/zinc/64/72/93/417647293.db2.gz VYGKKNYTHZIYRL-INIZCTEOSA-N 1 3 311.470 0.942 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635810644 417766303 /nfs/dbraw/zinc/76/63/03/417766303.db2.gz BSPSQBBQLRZUTG-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635810644 417766305 /nfs/dbraw/zinc/76/63/05/417766305.db2.gz BSPSQBBQLRZUTG-HNNXBMFYSA-N 1 3 310.486 0.861 20 0 DCADHO O=C(COC1CC[NH2+]CC1)N1CCN(c2ccncc2)CC1 ZINC000645222360 417715569 /nfs/dbraw/zinc/71/55/69/417715569.db2.gz YIBFVGJLVROMPL-UHFFFAOYSA-N 1 3 304.394 0.499 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000458091153 417721742 /nfs/dbraw/zinc/72/17/42/417721742.db2.gz MVEDLFSZUUNOBE-UONOGXRCSA-N 1 3 300.447 0.473 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645289118 417725123 /nfs/dbraw/zinc/72/51/23/417725123.db2.gz NXPBPJFVQNZARE-CYBMUJFWSA-N 1 3 318.425 0.387 20 0 DCADHO Cc1c(C(=O)N2CCN[C@@H](C(C)C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662515952 417789554 /nfs/dbraw/zinc/78/95/54/417789554.db2.gz WCABSAMRQGRGLG-CHWSQXEVSA-N 1 3 306.414 0.191 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000662517153 417790258 /nfs/dbraw/zinc/79/02/58/417790258.db2.gz RYKMIFAQVDXTLQ-CYBMUJFWSA-N 1 3 320.462 0.514 20 0 DCADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)COCC[NH3+] ZINC000646254547 417820393 /nfs/dbraw/zinc/82/03/93/417820393.db2.gz ZCSUSYHGJPCSSC-UHFFFAOYSA-N 1 3 315.364 0.830 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000646012329 417848116 /nfs/dbraw/zinc/84/81/16/417848116.db2.gz MJCXGHBKHKJSNT-ZDUSSCGKSA-N 1 3 308.430 0.621 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000662693226 417854594 /nfs/dbraw/zinc/85/45/94/417854594.db2.gz HPFGHBKADBNSNR-HNNXBMFYSA-N 1 3 310.486 0.907 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662713208 417866660 /nfs/dbraw/zinc/86/66/60/417866660.db2.gz VTHLUKOEVFHRIF-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000662715352 417869764 /nfs/dbraw/zinc/86/97/64/417869764.db2.gz HKVJEDJBQALRAT-WKILWMFISA-N 1 3 317.433 0.997 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCCN(CCCO)C1 ZINC000652322716 417883308 /nfs/dbraw/zinc/88/33/08/417883308.db2.gz TWCWNEAHIVLYTI-HNNXBMFYSA-N 1 3 312.458 0.522 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](N)CC(C)C)CC1 ZINC000662747312 417884075 /nfs/dbraw/zinc/88/40/75/417884075.db2.gz SHOVCAOTRQDPDD-CQSZACIVSA-N 1 3 312.458 0.467 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(N)C(F)(F)F)CC2)C1 ZINC000646002889 417845879 /nfs/dbraw/zinc/84/58/79/417845879.db2.gz ILWWIQFNWGSONW-GHMZBOCLSA-N 1 3 308.348 0.114 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(N)C(F)(F)F)CC2)C1 ZINC000646002889 417845884 /nfs/dbraw/zinc/84/58/84/417845884.db2.gz ILWWIQFNWGSONW-GHMZBOCLSA-N 1 3 308.348 0.114 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000662852128 417923978 /nfs/dbraw/zinc/92/39/78/417923978.db2.gz HXSNESSIAVXSOD-CQSZACIVSA-N 1 3 319.453 0.951 20 0 DCADHO O=C(C[C@H]1CNCCO1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662864486 417930424 /nfs/dbraw/zinc/93/04/24/417930424.db2.gz DHQJQJJVELPTGR-ARFHVFGLSA-N 1 3 303.406 0.627 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860957 417931528 /nfs/dbraw/zinc/93/15/28/417931528.db2.gz WFLIXHHIDBWSMN-HOTGVXAUSA-N 1 3 321.421 0.233 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652675144 417940904 /nfs/dbraw/zinc/94/09/04/417940904.db2.gz OWJYNICUBGFWJO-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)N(C)C1CC1 ZINC000652686566 417943868 /nfs/dbraw/zinc/94/38/68/417943868.db2.gz KEZQDRMRCJMEMF-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000636441890 417947126 /nfs/dbraw/zinc/94/71/26/417947126.db2.gz WQKIOUBXNYGGSM-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652697625 417947948 /nfs/dbraw/zinc/94/79/48/417947948.db2.gz JRAMIOMIYCOLNC-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N(C)CCC[NH3+])o1 ZINC000662926462 417953908 /nfs/dbraw/zinc/95/39/08/417953908.db2.gz SUMAGAKGSPFJEX-UHFFFAOYSA-N 1 3 324.425 0.285 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662941954 417958130 /nfs/dbraw/zinc/95/81/30/417958130.db2.gz GCRFUEBLQYDWII-DLOXAQCQSA-N 1 3 320.437 0.021 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652733020 417959194 /nfs/dbraw/zinc/95/91/94/417959194.db2.gz ZAYJFPZCEJMNRC-HUUCEWRRSA-N 1 3 324.469 0.659 20 0 DCADHO CN1CCC(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000663447229 418021448 /nfs/dbraw/zinc/02/14/48/418021448.db2.gz SNZNWSAZILNXSC-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000653107950 418028477 /nfs/dbraw/zinc/02/84/77/418028477.db2.gz CZWCBUZKIMRDPG-MRXNPFEDSA-N 1 3 310.486 0.990 20 0 DCADHO CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[C@@H]1CCN(CC)C1 ZINC000658826616 418028633 /nfs/dbraw/zinc/02/86/33/418028633.db2.gz QYCACFHHRSDLQN-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[C@@H]1CCN(CC)C1 ZINC000658826616 418028635 /nfs/dbraw/zinc/02/86/35/418028635.db2.gz QYCACFHHRSDLQN-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000663628787 418040604 /nfs/dbraw/zinc/04/06/04/418040604.db2.gz MIMGGPRXRNATRA-QPSCCSFWSA-N 1 3 312.458 0.566 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000663628787 418040607 /nfs/dbraw/zinc/04/06/07/418040607.db2.gz MIMGGPRXRNATRA-QPSCCSFWSA-N 1 3 312.458 0.566 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647110090 417990278 /nfs/dbraw/zinc/99/02/78/417990278.db2.gz XWKVBERWDMOYGF-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO O=C(NCC1C[NH2+]C1)NCC1CCN(Cc2ccncc2)CC1 ZINC000659527014 418111741 /nfs/dbraw/zinc/11/17/41/418111741.db2.gz HDFNSWKFFKLMAO-UHFFFAOYSA-N 1 3 317.437 0.812 20 0 DCADHO C[C@@]1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000659528268 418111904 /nfs/dbraw/zinc/11/19/04/418111904.db2.gz DAULVKWIJNEAPX-NVXWUHKLSA-N 1 3 324.469 0.929 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659534563 418113264 /nfs/dbraw/zinc/11/32/64/418113264.db2.gz DPDDEZFKYIUVCP-VHDGCEQUSA-N 1 3 310.442 0.537 20 0 DCADHO CC1(OCC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CNC1 ZINC000648177536 418114690 /nfs/dbraw/zinc/11/46/90/418114690.db2.gz GENSMBIMJDQAQU-DZGCQCFKSA-N 1 3 311.426 0.110 20 0 DCADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659552481 418117648 /nfs/dbraw/zinc/11/76/48/418117648.db2.gz YWNSLAOWZXKBJH-XEZPLFJOSA-N 1 3 320.437 0.788 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663775830 418056299 /nfs/dbraw/zinc/05/62/99/418056299.db2.gz LHXDYDLLSKMDOK-UKRRQHHQSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000663775830 418056303 /nfs/dbraw/zinc/05/63/03/418056303.db2.gz LHXDYDLLSKMDOK-UKRRQHHQSA-N 1 3 310.442 0.321 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000659112524 418062997 /nfs/dbraw/zinc/06/29/97/418062997.db2.gz JPSXVXWRIAVTLV-GFCCVEGCSA-N 1 3 306.410 0.719 20 0 DCADHO Cn1cc(C(=O)NCC2CCN(C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000647883401 418070089 /nfs/dbraw/zinc/07/00/89/418070089.db2.gz OKQKGYMRCCNIBL-AWEZNQCLSA-N 1 3 305.426 0.471 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000659244284 418072959 /nfs/dbraw/zinc/07/29/59/418072959.db2.gz SNJZVPMQWCVYSA-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(CN2CCOCC2)CC1 ZINC000647958888 418080141 /nfs/dbraw/zinc/08/01/41/418080141.db2.gz KMPZWBUMURZYNR-QGZVFWFLSA-N 1 3 313.486 0.732 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(CN2CCOCC2)CC1 ZINC000647958888 418080144 /nfs/dbraw/zinc/08/01/44/418080144.db2.gz KMPZWBUMURZYNR-QGZVFWFLSA-N 1 3 313.486 0.732 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)CCN1C ZINC000664219893 418098740 /nfs/dbraw/zinc/09/87/40/418098740.db2.gz USBXXKYMIGGBPX-HUUCEWRRSA-N 1 3 313.490 0.652 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000648105158 418098942 /nfs/dbraw/zinc/09/89/42/418098942.db2.gz ZTUFIDZUFLCNMH-IPYPFGDCSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000659453089 418099025 /nfs/dbraw/zinc/09/90/25/418099025.db2.gz QPTIAFYMHWNBLY-LBPRGKRZSA-N 1 3 300.447 0.783 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000664224772 418100285 /nfs/dbraw/zinc/10/02/85/418100285.db2.gz UAFQMJFLXZEAJB-GJZGRUSLSA-N 1 3 312.458 0.425 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000664425086 418124493 /nfs/dbraw/zinc/12/44/93/418124493.db2.gz GGLLDKXELAICGX-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000664425086 418124496 /nfs/dbraw/zinc/12/44/96/418124496.db2.gz GGLLDKXELAICGX-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664514434 418129240 /nfs/dbraw/zinc/12/92/40/418129240.db2.gz QREHLHLEVATFOA-ILXRZTDVSA-N 1 3 312.458 0.423 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664514434 418129243 /nfs/dbraw/zinc/12/92/43/418129243.db2.gz QREHLHLEVATFOA-ILXRZTDVSA-N 1 3 312.458 0.423 20 0 DCADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ncn1 ZINC000664531335 418130286 /nfs/dbraw/zinc/13/02/86/418130286.db2.gz IMLOWOSACFNXFY-AWEZNQCLSA-N 1 3 322.457 0.856 20 0 DCADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncn1 ZINC000664531335 418130288 /nfs/dbraw/zinc/13/02/88/418130288.db2.gz IMLOWOSACFNXFY-AWEZNQCLSA-N 1 3 322.457 0.856 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659628857 418130864 /nfs/dbraw/zinc/13/08/64/418130864.db2.gz KAGVKAQXRZMATA-ONGXEEELSA-N 1 3 308.386 0.052 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659680277 418143775 /nfs/dbraw/zinc/14/37/75/418143775.db2.gz DMIKBJIARMXFHE-YFTKNLTDSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659684250 418146535 /nfs/dbraw/zinc/14/65/35/418146535.db2.gz GVCBHNSDSAJCID-UUCFBXCCSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659695454 418149229 /nfs/dbraw/zinc/14/92/29/418149229.db2.gz XVPYOTLEHRNXEL-DHMWGJHJSA-N 1 3 322.453 0.171 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000659709849 418156245 /nfs/dbraw/zinc/15/62/45/418156245.db2.gz MGVZRKKKGJCJIK-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[N@@H+]1C ZINC000648786091 418157142 /nfs/dbraw/zinc/15/71/42/418157142.db2.gz PMSGLVCQMYMFSQ-OWCLPIDISA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[N@H+]1C ZINC000648786091 418157144 /nfs/dbraw/zinc/15/71/44/418157144.db2.gz PMSGLVCQMYMFSQ-OWCLPIDISA-N 1 3 308.470 0.565 20 0 DCADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1)C1CC1 ZINC000659714043 418158399 /nfs/dbraw/zinc/15/83/99/418158399.db2.gz IFEYTXSQAIWCAG-ZFWWWQNUSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000659714958 418159113 /nfs/dbraw/zinc/15/91/13/418159113.db2.gz OGRYIUSHXCJDRD-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC[N@@H+]1C ZINC000648845643 418165109 /nfs/dbraw/zinc/16/51/09/418165109.db2.gz LFPKJLOWPAPJAQ-HZMVEIRTSA-N 1 3 322.497 0.811 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC[N@H+]1C ZINC000648845643 418165111 /nfs/dbraw/zinc/16/51/11/418165111.db2.gz LFPKJLOWPAPJAQ-HZMVEIRTSA-N 1 3 322.497 0.811 20 0 DCADHO CNC(=O)C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665050823 418171914 /nfs/dbraw/zinc/17/19/14/418171914.db2.gz IDEPFDODASEQII-OLZOCXBDSA-N 1 3 315.462 0.082 20 0 DCADHO CNC(=O)C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665050823 418171915 /nfs/dbraw/zinc/17/19/15/418171915.db2.gz IDEPFDODASEQII-OLZOCXBDSA-N 1 3 315.462 0.082 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000659741877 418173366 /nfs/dbraw/zinc/17/33/66/418173366.db2.gz QCXFUBNEKWQTTG-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1[nH]c(=O)[nH]c1C ZINC000654679079 418175285 /nfs/dbraw/zinc/17/52/85/418175285.db2.gz NEIAHDKENVPNLW-CYBMUJFWSA-N 1 3 323.441 0.912 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1[nH]c(=O)[nH]c1C ZINC000654679079 418175289 /nfs/dbraw/zinc/17/52/89/418175289.db2.gz NEIAHDKENVPNLW-CYBMUJFWSA-N 1 3 323.441 0.912 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN(C)CCCN1CCN(C)CC1 ZINC000660144928 418236865 /nfs/dbraw/zinc/23/68/65/418236865.db2.gz IMPNNPOZOUXGGW-MRXNPFEDSA-N 1 3 300.491 0.257 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)CCCN1CCN(C)CC1 ZINC000660144928 418236868 /nfs/dbraw/zinc/23/68/68/418236868.db2.gz IMPNNPOZOUXGGW-MRXNPFEDSA-N 1 3 300.491 0.257 20 0 DCADHO CO[C@@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)[C@H]1CCOC1 ZINC000660139262 418237388 /nfs/dbraw/zinc/23/73/88/418237388.db2.gz QNNJVUIOMUAXHC-RDJZCZTQSA-N 1 3 313.486 0.996 20 0 DCADHO CO[C@@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)[C@H]1CCOC1 ZINC000660139262 418237390 /nfs/dbraw/zinc/23/73/90/418237390.db2.gz QNNJVUIOMUAXHC-RDJZCZTQSA-N 1 3 313.486 0.996 20 0 DCADHO CN(C(=O)[C@H]1CCC[NH2+]1)C1CCN(CCn2cccn2)CC1 ZINC000649352292 418247243 /nfs/dbraw/zinc/24/72/43/418247243.db2.gz IDOOPOVTSSKZCV-OAHLLOKOSA-N 1 3 305.426 0.558 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1=O ZINC000649370116 418248548 /nfs/dbraw/zinc/24/85/48/418248548.db2.gz DYYBYPCGYALGMS-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C(=O)CCN1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649414340 418252289 /nfs/dbraw/zinc/25/22/89/418252289.db2.gz UIBSHQJJWJJEJE-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649076686 418193956 /nfs/dbraw/zinc/19/39/56/418193956.db2.gz AYWZNNJFPMFGGV-UONOGXRCSA-N 1 3 310.442 0.439 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000654980336 418209796 /nfs/dbraw/zinc/20/97/96/418209796.db2.gz JLVBETNPXUCJCL-MRXNPFEDSA-N 1 3 324.469 0.759 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000665552703 418219962 /nfs/dbraw/zinc/21/99/62/418219962.db2.gz HCEVSVGQDVZWNS-HZSPNIEDSA-N 1 3 310.442 0.320 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000665552703 418219964 /nfs/dbraw/zinc/21/99/64/418219964.db2.gz HCEVSVGQDVZWNS-HZSPNIEDSA-N 1 3 310.442 0.320 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCN(C)CCCOC)C1 ZINC000660738777 418287753 /nfs/dbraw/zinc/28/77/53/418287753.db2.gz FSHAWQXTKNVKAD-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCN(C)CCCOC)C1 ZINC000660738777 418287754 /nfs/dbraw/zinc/28/77/54/418287754.db2.gz FSHAWQXTKNVKAD-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656025460 418320049 /nfs/dbraw/zinc/32/00/49/418320049.db2.gz KRZJYVSCEVUJOD-GJZGRUSLSA-N 1 3 320.437 0.155 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000660388802 418255062 /nfs/dbraw/zinc/25/50/62/418255062.db2.gz YPGUWLYDSGIZCX-ZACQAIPSSA-N 1 3 313.486 0.921 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660585667 418271868 /nfs/dbraw/zinc/27/18/68/418271868.db2.gz SJENHFZDEGDKTA-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000660664131 418278690 /nfs/dbraw/zinc/27/86/90/418278690.db2.gz QEBIRHRACUXKRA-HUUCEWRRSA-N 1 3 315.483 0.686 20 0 DCADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCN(S(C)(=O)=O)C1)C2 ZINC000660664131 418278693 /nfs/dbraw/zinc/27/86/93/418278693.db2.gz QEBIRHRACUXKRA-HUUCEWRRSA-N 1 3 315.483 0.686 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656286104 418340161 /nfs/dbraw/zinc/34/01/61/418340161.db2.gz KYHNGBYHAQVKQC-XBXGTLAGSA-N 1 3 310.442 0.043 20 0 DCADHO CNCC(=O)Nc1cccc(-c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000656466746 418357067 /nfs/dbraw/zinc/35/70/67/418357067.db2.gz HXCRKXJWDYTAQG-CYBMUJFWSA-N 1 3 300.366 0.637 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662260538 418393574 /nfs/dbraw/zinc/39/35/74/418393574.db2.gz OVYMQJQHPJMKPK-BBWFWOEESA-N 1 3 310.486 0.465 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662260538 418393576 /nfs/dbraw/zinc/39/35/76/418393576.db2.gz OVYMQJQHPJMKPK-BBWFWOEESA-N 1 3 310.486 0.465 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662453531 418410687 /nfs/dbraw/zinc/41/06/87/418410687.db2.gz BUNQPRCQQYVPTK-CQSZACIVSA-N 1 3 320.441 0.807 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662469978 418411628 /nfs/dbraw/zinc/41/16/28/418411628.db2.gz ASSGRHJARYYYRT-UHFFFAOYSA-N 1 3 316.449 0.999 20 0 DCADHO CCOc1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000662326915 418401522 /nfs/dbraw/zinc/40/15/22/418401522.db2.gz HCLHNZOJXXHGRA-AWEZNQCLSA-N 1 3 305.426 0.997 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC1CCN(CCOC)CC1 ZINC000195136356 261150661 /nfs/dbraw/zinc/15/06/61/261150661.db2.gz WEEDSZDTSKHZDC-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)CNC[C@H]2CCCO2)CC1 ZINC000237194823 261158405 /nfs/dbraw/zinc/15/84/05/261158405.db2.gz BMVUBAOKJULENG-OAHLLOKOSA-N 1 3 313.442 0.372 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000354689773 261259471 /nfs/dbraw/zinc/25/94/71/261259471.db2.gz UKOZBEZJCHVWOH-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000354689773 261259474 /nfs/dbraw/zinc/25/94/74/261259474.db2.gz UKOZBEZJCHVWOH-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355260202 261323143 /nfs/dbraw/zinc/32/31/43/261323143.db2.gz AXUNIQZYGCFOLJ-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000355297871 261327679 /nfs/dbraw/zinc/32/76/79/261327679.db2.gz LFQUWDZFCSTOEG-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000361718233 261954681 /nfs/dbraw/zinc/95/46/81/261954681.db2.gz LZWLUDURAGWXNJ-UKRRQHHQSA-N 1 3 301.406 0.647 20 0 DCADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000363389923 262113547 /nfs/dbraw/zinc/11/35/47/262113547.db2.gz OLVCGBYUJPHOLM-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000363389923 262113549 /nfs/dbraw/zinc/11/35/49/262113549.db2.gz OLVCGBYUJPHOLM-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390951265 262160577 /nfs/dbraw/zinc/16/05/77/262160577.db2.gz WSCFBFNNBWLTRR-GOEBONIOSA-N 1 3 305.422 0.989 20 0 DCADHO C[C@H]1NCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC000416979902 262243215 /nfs/dbraw/zinc/24/32/15/262243215.db2.gz SRPCHKVDNPDBKL-KGLIPLIRSA-N 1 3 311.474 0.404 20 0 DCADHO CN(CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000417233060 262248381 /nfs/dbraw/zinc/24/83/81/262248381.db2.gz RESVYZJKXNAFTR-IYBDPMFKSA-N 1 3 302.422 0.979 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417744002 262260227 /nfs/dbraw/zinc/26/02/27/262260227.db2.gz CIMCGVSPXAAYNS-RBSFLKMASA-N 1 3 312.458 0.642 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000417761840 262261349 /nfs/dbraw/zinc/26/13/49/262261349.db2.gz ZMDBHHJKZAHONH-CABCVRRESA-N 1 3 313.490 0.415 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC2CCC([NH3+])CC2)CCSC1 ZINC000417823283 262262459 /nfs/dbraw/zinc/26/24/59/262262459.db2.gz JLAISBCHCWSRJY-ORHYLEIMSA-N 1 3 300.472 0.993 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000418115633 262270872 /nfs/dbraw/zinc/27/08/72/262270872.db2.gz OUOMSPULCBWRIU-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1NCCc2ccccc21 ZINC000418303411 262274356 /nfs/dbraw/zinc/27/43/56/262274356.db2.gz NJNFBWSDTUBQMM-INIZCTEOSA-N 1 3 317.437 0.078 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418573395 262282396 /nfs/dbraw/zinc/28/23/96/262282396.db2.gz LGVJZNVXWKZKLR-RRFJBIMHSA-N 1 3 312.458 0.376 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418572259 262282537 /nfs/dbraw/zinc/28/25/37/262282537.db2.gz SOFVJAVKNLAUPY-MELADBBJSA-N 1 3 312.458 0.864 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418578513 262283046 /nfs/dbraw/zinc/28/30/46/262283046.db2.gz QADYSJBXYVWDRR-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)NC[C@@H]1CCCN1CCCO ZINC000418599823 262283955 /nfs/dbraw/zinc/28/39/55/262283955.db2.gz IKNWGUGRSKWIEP-HNNXBMFYSA-N 1 3 310.442 0.442 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN1CCCO ZINC000418744582 262287253 /nfs/dbraw/zinc/28/72/53/262287253.db2.gz FHZZYUSZQMWLQX-GJZGRUSLSA-N 1 3 312.458 0.665 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000418828568 262291700 /nfs/dbraw/zinc/29/17/00/262291700.db2.gz GABCAMRNJZWPSF-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[NH2+]1 ZINC000418846368 262292814 /nfs/dbraw/zinc/29/28/14/262292814.db2.gz XVHHXHVPPPAXCG-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418871917 262294320 /nfs/dbraw/zinc/29/43/20/262294320.db2.gz FSOICGCNFAOJFV-UHFFFAOYSA-N 1 3 310.442 0.365 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC1 ZINC000418915958 262297646 /nfs/dbraw/zinc/29/76/46/262297646.db2.gz QRZITZSLGBYTSU-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418922618 262298853 /nfs/dbraw/zinc/29/88/53/262298853.db2.gz DQNZZZOMRFTMOM-LJISPDSOSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419085003 262307955 /nfs/dbraw/zinc/30/79/55/262307955.db2.gz ZFOFZVPOEUVATF-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419118784 262309910 /nfs/dbraw/zinc/30/99/10/262309910.db2.gz IVXBBHAYSHJAJX-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419126667 262310841 /nfs/dbraw/zinc/31/08/41/262310841.db2.gz XYHAWLATUAQPGQ-HUUCEWRRSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000419156340 262314142 /nfs/dbraw/zinc/31/41/42/262314142.db2.gz JMFPBFOXPUZBNF-LSDHHAIUSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)N1CCC(C)CC1 ZINC000419161549 262315097 /nfs/dbraw/zinc/31/50/97/262315097.db2.gz RYUULJGBALBHBC-ZNMIVQPWSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000419163422 262315151 /nfs/dbraw/zinc/31/51/51/262315151.db2.gz WIRDVECJONCNTH-HNNXBMFYSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419175791 262317044 /nfs/dbraw/zinc/31/70/44/262317044.db2.gz YENGCENGIUWJTE-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CCC1 ZINC000419232730 262322170 /nfs/dbraw/zinc/32/21/70/262322170.db2.gz GBTQSJPDSAFBOP-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419283760 262323976 /nfs/dbraw/zinc/32/39/76/262323976.db2.gz KELHZUYNYBWUCJ-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419369081 262327986 /nfs/dbraw/zinc/32/79/86/262327986.db2.gz GZIFDEDTFNPVPP-LSDHHAIUSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419411326 262331308 /nfs/dbraw/zinc/33/13/08/262331308.db2.gz BNFINJPNIGZEDT-UKRRQHHQSA-N 1 3 318.421 0.403 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419417148 262331875 /nfs/dbraw/zinc/33/18/75/262331875.db2.gz WVHIVYMCCUNVFV-AWEZNQCLSA-N 1 3 312.458 0.324 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000419412499 262331881 /nfs/dbraw/zinc/33/18/81/262331881.db2.gz QXWIYMPZTSWPIM-LSDHHAIUSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419427221 262333314 /nfs/dbraw/zinc/33/33/14/262333314.db2.gz RLEYNAJDSYRYJP-QLFBSQMISA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419480385 262333913 /nfs/dbraw/zinc/33/39/13/262333913.db2.gz NEJFOLNDGJJAPH-MELADBBJSA-N 1 3 312.458 0.324 20 0 DCADHO CCCN(C(=O)C(=O)NCCN(C)[C@@H](C)CC)[C@@H]1CC[NH2+]C1 ZINC000419508835 262336098 /nfs/dbraw/zinc/33/60/98/262336098.db2.gz DHMBBACYLRMDSO-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419595428 262339432 /nfs/dbraw/zinc/33/94/32/262339432.db2.gz WTSMHWUUHNIFDN-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419914865 262352219 /nfs/dbraw/zinc/35/22/19/262352219.db2.gz UTYXKZPJRJRTAW-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000419926027 262353340 /nfs/dbraw/zinc/35/33/40/262353340.db2.gz AQTCSRWSYFJTBZ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000419965366 262354382 /nfs/dbraw/zinc/35/43/82/262354382.db2.gz XDIKTTBSVXPKMH-CQSZACIVSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000419980495 262355337 /nfs/dbraw/zinc/35/53/37/262355337.db2.gz QZQKOJQTEZXZOK-ILXRZTDVSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419989116 262355558 /nfs/dbraw/zinc/35/55/58/262355558.db2.gz YUXLYMFCJZPKSW-OAHLLOKOSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000420058521 262358370 /nfs/dbraw/zinc/35/83/70/262358370.db2.gz FDKYKKYIYFUWLC-OAHLLOKOSA-N 1 3 324.469 0.609 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCCN(C2CCCC2)CC1)C1CC1 ZINC000420059526 262358520 /nfs/dbraw/zinc/35/85/20/262358520.db2.gz JTWRPGZJNJJKPE-OAHLLOKOSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000420071342 262358720 /nfs/dbraw/zinc/35/87/20/262358720.db2.gz LCJAQRRSJTYBER-GJZGRUSLSA-N 1 3 324.469 0.561 20 0 DCADHO CN(CCOCC[NH3+])C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420376366 262372850 /nfs/dbraw/zinc/37/28/50/262372850.db2.gz QQQWUVFATZXKGW-ZFWWWQNUSA-N 1 3 313.421 0.240 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000423625187 262451144 /nfs/dbraw/zinc/45/11/44/262451144.db2.gz QUILSIOJPCDWGK-HNNXBMFYSA-N 1 3 322.453 0.413 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000423673527 262453511 /nfs/dbraw/zinc/45/35/11/262453511.db2.gz GVAFFTGAMQNNHZ-KBPBESRZSA-N 1 3 310.442 0.269 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCC2)[C@H]1C[NH3+] ZINC000423725645 262457330 /nfs/dbraw/zinc/45/73/30/262457330.db2.gz HXUZXPNDCORDJH-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)NC1CCN(C2CC2)CC1 ZINC000357105273 271043391 /nfs/dbraw/zinc/04/33/91/271043391.db2.gz NSFSALOPWZLMDL-UONOGXRCSA-N 1 3 306.454 0.271 20 0 DCADHO CCC[N@H+](C)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000359118225 271097362 /nfs/dbraw/zinc/09/73/62/271097362.db2.gz URGSQSRSQZTELE-QGZVFWFLSA-N 1 3 319.449 0.864 20 0 DCADHO CCC[N@@H+](C)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000359118225 271097363 /nfs/dbraw/zinc/09/73/63/271097363.db2.gz URGSQSRSQZTELE-QGZVFWFLSA-N 1 3 319.449 0.864 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000359118225 271097364 /nfs/dbraw/zinc/09/73/64/271097364.db2.gz URGSQSRSQZTELE-QGZVFWFLSA-N 1 3 319.449 0.864 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000359118225 271097365 /nfs/dbraw/zinc/09/73/65/271097365.db2.gz URGSQSRSQZTELE-QGZVFWFLSA-N 1 3 319.449 0.864 20 0 DCADHO CS(=O)(=O)NC[C@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000359221731 271106367 /nfs/dbraw/zinc/10/63/67/271106367.db2.gz XQIFKYNQNWCFKL-CQSZACIVSA-N 1 3 303.472 0.780 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCN2CCCOCC2)CC1 ZINC000361289496 271179717 /nfs/dbraw/zinc/17/97/17/271179717.db2.gz PLQQTGSHSIYVEK-GOSISDBHSA-N 1 3 324.513 0.811 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CCN2CCCOCC2)CC1 ZINC000361289496 271179718 /nfs/dbraw/zinc/17/97/18/271179718.db2.gz PLQQTGSHSIYVEK-GOSISDBHSA-N 1 3 324.513 0.811 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000418727084 271251091 /nfs/dbraw/zinc/25/10/91/271251091.db2.gz PXXZANIAMWEXJJ-RRFJBIMHSA-N 1 3 312.458 0.650 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000418843133 271258699 /nfs/dbraw/zinc/25/86/99/271258699.db2.gz RKCXNZCMYDXNIL-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418846180 271259097 /nfs/dbraw/zinc/25/90/97/271259097.db2.gz XIRFMVILVGDDMQ-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419033217 271270008 /nfs/dbraw/zinc/27/00/08/271270008.db2.gz YFHQEERLCUWDBP-MJBXVCDLSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CCC(C)CC1 ZINC000419141143 271275500 /nfs/dbraw/zinc/27/55/00/271275500.db2.gz ARTWQAKFNHHDKQ-YOEHRIQHSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419431257 271289773 /nfs/dbraw/zinc/28/97/73/271289773.db2.gz WZFATVBFRQKSJN-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N2CCCNCC2)C1 ZINC000419432644 271289957 /nfs/dbraw/zinc/28/99/57/271289957.db2.gz YKDNNPIOARBEDX-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)CCN)C1 ZINC000419476243 271294644 /nfs/dbraw/zinc/29/46/44/271294644.db2.gz GCXPKYALPBQERU-KBPBESRZSA-N 1 3 312.458 0.278 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419540367 271303521 /nfs/dbraw/zinc/30/35/21/271303521.db2.gz HJDORRVTVLYRJA-STQMWFEESA-N 1 3 314.474 0.569 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N(C)C1CC1 ZINC000419578470 271310013 /nfs/dbraw/zinc/31/00/13/271310013.db2.gz DVTKQEMEVBJQPQ-AGIUHOORSA-N 1 3 310.442 0.171 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419575748 271310274 /nfs/dbraw/zinc/31/02/74/271310274.db2.gz BDAHGHAKSDLJNF-BFHYXJOUSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000419652579 271315390 /nfs/dbraw/zinc/31/53/90/271315390.db2.gz XLMONLSIKDUZLH-OAHLLOKOSA-N 1 3 318.421 0.233 20 0 DCADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H]1CN)C(C)C ZINC000419660725 271318359 /nfs/dbraw/zinc/31/83/59/271318359.db2.gz CKSAUMRZGSKXSC-CQSZACIVSA-N 1 3 312.458 0.561 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000419885926 271336983 /nfs/dbraw/zinc/33/69/83/271336983.db2.gz ZJLWWQVRAIDNKK-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419933753 271345440 /nfs/dbraw/zinc/34/54/40/271345440.db2.gz FXFREICFLZWQCB-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419949316 271349273 /nfs/dbraw/zinc/34/92/73/271349273.db2.gz GZMAVPWZBFLOTC-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000420172753 271363100 /nfs/dbraw/zinc/36/31/00/271363100.db2.gz QBGAGYPLLMNVJD-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CCS(=O)(=O)NC)[C@H](C)C1 ZINC000439076458 271634307 /nfs/dbraw/zinc/63/43/07/271634307.db2.gz JQVCVMNTEOIFNA-ZIAGYGMSSA-N 1 3 321.487 0.262 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000459895210 272016986 /nfs/dbraw/zinc/01/69/86/272016986.db2.gz KICZLIIHCWBHCS-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)OC(C)(C)C ZINC000492968058 272161036 /nfs/dbraw/zinc/16/10/36/272161036.db2.gz HGPVYTNXJAYHDX-UHFFFAOYSA-N 1 3 316.446 0.463 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000520833022 272524465 /nfs/dbraw/zinc/52/44/65/272524465.db2.gz DICVZGQGSUCNDC-IRXDYDNUSA-N 1 3 313.486 0.733 20 0 DCADHO C(CN1C[C@H]2CC[C@@H](C1)O2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239779 272731705 /nfs/dbraw/zinc/73/17/05/272731705.db2.gz HVJNTMWUMLTFNJ-KURKYZTESA-N 1 3 323.481 0.940 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351689034 276871091 /nfs/dbraw/zinc/87/10/91/276871091.db2.gz YVQDNADOQBRZTP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000272757809 277232860 /nfs/dbraw/zinc/23/28/60/277232860.db2.gz PJEJFGDUAPSULR-BBRMVZONSA-N 1 3 305.422 0.867 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCCN[C@H]1CCC[C@H]1C(=O)NC ZINC000348166252 277244057 /nfs/dbraw/zinc/24/40/57/277244057.db2.gz NXZSZWDWUALNRB-TUVASFSCSA-N 1 3 324.469 0.385 20 0 DCADHO CNC(=O)[C@@H]1CCC[C@H]1NCCC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000348166252 277244058 /nfs/dbraw/zinc/24/40/58/277244058.db2.gz NXZSZWDWUALNRB-TUVASFSCSA-N 1 3 324.469 0.385 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000418829999 277583197 /nfs/dbraw/zinc/58/31/97/277583197.db2.gz HLLXUOULMDVAIN-HIFRSBDPSA-N 1 3 324.469 0.561 20 0 DCADHO CCC[C@@H](C(=O)N1CC[C@@H](N2CCN(CC)CC2)C1)[NH+](C)C ZINC000153302751 278855045 /nfs/dbraw/zinc/85/50/45/278855045.db2.gz XWQARWYFTZVKRK-CVEARBPZSA-N 1 3 310.486 0.955 20 0 DCADHO CCN(CC)CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341844619 279089657 /nfs/dbraw/zinc/08/96/57/279089657.db2.gz CASHIDZJNYQINF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341844619 279089659 /nfs/dbraw/zinc/08/96/59/279089659.db2.gz CASHIDZJNYQINF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)CC1=O ZINC000247331233 279304589 /nfs/dbraw/zinc/30/45/89/279304589.db2.gz VAFZJKKYNCONLF-RRFJBIMHSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340476889 279307336 /nfs/dbraw/zinc/30/73/36/279307336.db2.gz CLZRYZJFGVCGFH-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340476889 279307339 /nfs/dbraw/zinc/30/73/39/279307339.db2.gz CLZRYZJFGVCGFH-QLFBSQMISA-N 1 3 322.453 0.330 20 0 DCADHO COc1ccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000548815815 288179196 /nfs/dbraw/zinc/17/91/96/288179196.db2.gz GNGSCELIHLYXHC-UHFFFAOYSA-N 1 3 308.426 0.585 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000262308169 280273843 /nfs/dbraw/zinc/27/38/43/280273843.db2.gz PKPGWQYHLMRFJU-HIFRSBDPSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1c(C(=O)N2CCN[C@@H](C)[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000564994771 288805163 /nfs/dbraw/zinc/80/51/63/288805163.db2.gz HQAMNIMKNCYWJK-WDEREUQCSA-N 1 3 306.414 0.333 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC[NH2+]1 ZINC000333143294 297252332 /nfs/dbraw/zinc/25/23/32/297252332.db2.gz LHUNJKWTEKYEAS-ILXRZTDVSA-N 1 3 315.483 0.874 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000582181949 335735419 /nfs/dbraw/zinc/73/54/19/335735419.db2.gz FCOPTILFNZNUGH-HOCLYGCPSA-N 1 3 308.470 0.470 20 0 DCADHO COCc1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000583219573 337277462 /nfs/dbraw/zinc/27/74/62/337277462.db2.gz IFAJFYQIJBDATB-UHFFFAOYSA-N 1 3 314.455 0.855 20 0 DCADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)COC)CC1 ZINC000583316958 337314658 /nfs/dbraw/zinc/31/46/58/337314658.db2.gz FMTDVQRWOQSWIV-GOSISDBHSA-N 1 3 321.465 0.921 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584460075 337344075 /nfs/dbraw/zinc/34/40/75/337344075.db2.gz ZIBMANXOZAYMPF-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584460075 337344076 /nfs/dbraw/zinc/34/40/76/337344076.db2.gz ZIBMANXOZAYMPF-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCCCC1 ZINC000576926057 341869920 /nfs/dbraw/zinc/86/99/20/341869920.db2.gz IJEAQEZCHZVAOT-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)C2)CC1 ZINC000577369411 341906298 /nfs/dbraw/zinc/90/62/98/341906298.db2.gz AGJKDXDURBMIKA-HOTGVXAUSA-N 1 3 308.470 0.741 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000577486796 341912000 /nfs/dbraw/zinc/91/20/00/341912000.db2.gz RAJWELYZCICAGB-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568865290 1160825873 /nfs/dbraw/zinc/82/58/73/1160825873.db2.gz AQOATUPGNYDTPJ-OOPLNXAUSA-N 1 3 310.442 0.257 20 0 DCADHO C[C@@H](C[NH2+]CCCO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001569081342 1160936896 /nfs/dbraw/zinc/93/68/96/1160936896.db2.gz ITORRVAFXLLTKH-WFASDCNBSA-N 1 3 303.422 0.676 20 0 DCADHO COc1cc(CNCCCN2CC[NH2+]CC2)cc2c1OCO2 ZINC000414784851 533873350 /nfs/dbraw/zinc/87/33/50/533873350.db2.gz UCLFOSBMEINEJZ-UHFFFAOYSA-N 1 3 307.394 0.809 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000423285254 517919649 /nfs/dbraw/zinc/91/96/49/517919649.db2.gz ZGPXFHVBMLWROY-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)N(C)C ZINC000366299574 521811433 /nfs/dbraw/zinc/81/14/33/521811433.db2.gz NUZQYMTYHDUQJU-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000237217331 522028563 /nfs/dbraw/zinc/02/85/63/522028563.db2.gz VMGGWPBMWVQNLN-OAHLLOKOSA-N 1 3 318.465 0.906 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000237227790 522131014 /nfs/dbraw/zinc/13/10/14/522131014.db2.gz SBHQCVSRFWBYCK-AWEZNQCLSA-N 1 3 318.421 0.755 20 0 DCADHO C[N@H+](CCOc1cccc(CNC(=O)CN)c1)C1CCOCC1 ZINC000237189715 522910585 /nfs/dbraw/zinc/91/05/85/522910585.db2.gz LZXGIKORCOSKBG-UHFFFAOYSA-N 1 3 321.421 0.751 20 0 DCADHO C[N@@H+](CCOc1cccc(CNC(=O)CN)c1)C1CCOCC1 ZINC000237189715 522910589 /nfs/dbraw/zinc/91/05/89/522910589.db2.gz LZXGIKORCOSKBG-UHFFFAOYSA-N 1 3 321.421 0.751 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000331868029 528997607 /nfs/dbraw/zinc/99/76/07/528997607.db2.gz AKZXTBRLWIXTJJ-SOUVJXGZSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261659326 545976627 /nfs/dbraw/zinc/97/66/27/545976627.db2.gz FCNKEZFPBQHQOS-LSDHHAIUSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)CCN(Cc1ccccc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000303207172 546016871 /nfs/dbraw/zinc/01/68/71/546016871.db2.gz BECYXSNGCGPEQY-UHFFFAOYSA-N 1 3 316.409 0.441 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000343003615 546127898 /nfs/dbraw/zinc/12/78/98/546127898.db2.gz CQRPGRAGKVZXGE-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000343003617 546128057 /nfs/dbraw/zinc/12/80/57/546128057.db2.gz CQRPGRAGKVZXGE-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000430725796 546250302 /nfs/dbraw/zinc/25/03/02/546250302.db2.gz UWSGNLCPILUTBU-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000666753149 546503137 /nfs/dbraw/zinc/50/31/37/546503137.db2.gz PJCSPRFNEDNVNN-OWCLPIDISA-N 1 3 324.469 0.567 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CCC(OC)CC2)C1 ZINC000666924517 546529943 /nfs/dbraw/zinc/52/99/43/546529943.db2.gz HINSFCGKHPVXCE-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCN2CCC(OC)CC2)C1 ZINC000666924517 546529946 /nfs/dbraw/zinc/52/99/46/546529946.db2.gz HINSFCGKHPVXCE-CQSZACIVSA-N 1 3 312.458 0.881 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC(=O)N1 ZINC000667811564 546656508 /nfs/dbraw/zinc/65/65/08/546656508.db2.gz PKCJBCLBKSNQLE-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CC(=O)N1 ZINC000667811564 546656511 /nfs/dbraw/zinc/65/65/11/546656511.db2.gz PKCJBCLBKSNQLE-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1cc(C2CC2)cn1 ZINC000668302517 546724484 /nfs/dbraw/zinc/72/44/84/546724484.db2.gz JBVHVTRJAFQYLF-UHFFFAOYSA-N 1 3 307.442 0.712 20 0 DCADHO C[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000669303735 546953142 /nfs/dbraw/zinc/95/31/42/546953142.db2.gz QQLTYJBNUXYZKC-APIJFGDWSA-N 1 3 312.458 0.864 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000669508900 546982985 /nfs/dbraw/zinc/98/29/85/546982985.db2.gz VHWVHJMHDHKLQJ-GXTWGEPZSA-N 1 3 307.394 0.580 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669513919 546983001 /nfs/dbraw/zinc/98/30/01/546983001.db2.gz WONWBIHJGYNEHJ-UHFFFAOYSA-N 1 3 312.458 0.927 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519634 546983930 /nfs/dbraw/zinc/98/39/30/546983930.db2.gz LFOBMVGDSXVGGZ-DZKIICNBSA-N 1 3 324.469 0.324 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000671820623 547299039 /nfs/dbraw/zinc/29/90/39/547299039.db2.gz SISWVPHQXQFMMV-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310139 547349189 /nfs/dbraw/zinc/34/91/89/547349189.db2.gz IISAMIJKAYUUMV-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310139 547349194 /nfs/dbraw/zinc/34/91/94/547349194.db2.gz IISAMIJKAYUUMV-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CC[NH+](C)CC1 ZINC000673670755 547513612 /nfs/dbraw/zinc/51/36/12/547513612.db2.gz OYYNNOTYPCODGM-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000676048570 547729268 /nfs/dbraw/zinc/72/92/68/547729268.db2.gz LVWMQJJHCAJUCJ-HRCADAONSA-N 1 3 324.469 0.758 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCOCCN(C)C ZINC000682614746 548409805 /nfs/dbraw/zinc/40/98/05/548409805.db2.gz TZGCBESVXVMOGX-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CCF)C2)C1 ZINC001027546935 660410950 /nfs/dbraw/zinc/41/09/50/660410950.db2.gz OULOXAHRMDMNGI-LSDHHAIUSA-N 1 3 315.433 0.988 20 0 DCADHO CC(C)N1CCO[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CCF)C2)C1 ZINC001027546935 660410951 /nfs/dbraw/zinc/41/09/51/660410951.db2.gz OULOXAHRMDMNGI-LSDHHAIUSA-N 1 3 315.433 0.988 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C)CCN(C)CC2)C[N@@H+]1C1CC1 ZINC000893538580 660490724 /nfs/dbraw/zinc/49/07/24/660490724.db2.gz ZFZRGXURRGFSGZ-LSDHHAIUSA-N 1 3 323.485 0.500 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C)CCN(C)CC2)C[N@H+]1C1CC1 ZINC000893538580 660490725 /nfs/dbraw/zinc/49/07/25/660490725.db2.gz ZFZRGXURRGFSGZ-LSDHHAIUSA-N 1 3 323.485 0.500 20 0 DCADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000978950128 660636284 /nfs/dbraw/zinc/63/62/84/660636284.db2.gz NRXCOVGAANYVRI-NXOAAHMSSA-N 1 3 323.481 0.927 20 0 DCADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000978950128 660636285 /nfs/dbraw/zinc/63/62/85/660636285.db2.gz NRXCOVGAANYVRI-NXOAAHMSSA-N 1 3 323.481 0.927 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036379 661091208 /nfs/dbraw/zinc/09/12/08/661091208.db2.gz BWLRWXHPQPXGEJ-KRIMKBQASA-N 1 3 323.437 0.077 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036379 661091211 /nfs/dbraw/zinc/09/12/11/661091211.db2.gz BWLRWXHPQPXGEJ-KRIMKBQASA-N 1 3 323.437 0.077 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC000998533996 665475699 /nfs/dbraw/zinc/47/56/99/665475699.db2.gz APGWVJIKXOGHJM-NRXISQOPSA-N 1 3 322.453 0.282 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023083981 657483374 /nfs/dbraw/zinc/48/33/74/657483374.db2.gz FXLPPEYCNVQNEW-MELADBBJSA-N 1 3 320.441 0.295 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023083981 657483380 /nfs/dbraw/zinc/48/33/80/657483380.db2.gz FXLPPEYCNVQNEW-MELADBBJSA-N 1 3 320.441 0.295 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CN1CCN(C)CC1 ZINC000891603315 657516585 /nfs/dbraw/zinc/51/65/85/657516585.db2.gz OAVPSTSQFRIACF-KFWWJZLASA-N 1 3 311.474 0.439 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1)C(N)=O ZINC001023126522 657538225 /nfs/dbraw/zinc/53/82/25/657538225.db2.gz ZTDZKDYIEIFUOS-TUKIKUTGSA-N 1 3 318.421 0.472 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000969197714 657556080 /nfs/dbraw/zinc/55/60/80/657556080.db2.gz NZVRGBMLHGLYQB-CQSZACIVSA-N 1 3 317.437 0.739 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC000994922788 665532604 /nfs/dbraw/zinc/53/26/04/665532604.db2.gz AEFMKSINWRGVMQ-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1)[NH+]1CCCC1 ZINC000969564312 657982942 /nfs/dbraw/zinc/98/29/42/657982942.db2.gz QOIQCUGBTQKGRG-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CN(CCO)C1 ZINC000970918251 658076957 /nfs/dbraw/zinc/07/69/57/658076957.db2.gz SFIHGIFOUDIPEK-CYBMUJFWSA-N 1 3 305.422 0.791 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001020586763 658164422 /nfs/dbraw/zinc/16/44/22/658164422.db2.gz YPLWTUAFRHXSCO-FVQBIDKESA-N 1 3 319.453 0.684 20 0 DCADHO Cn1cncc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020591109 658171427 /nfs/dbraw/zinc/17/14/27/658171427.db2.gz DWVKXSWEFXZRMY-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998995976 665559890 /nfs/dbraw/zinc/55/98/90/665559890.db2.gz XHKVVUOHTMWYTC-UYSNPLJNSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCOCC3)C2)C1 ZINC000969954222 658288830 /nfs/dbraw/zinc/28/88/30/658288830.db2.gz CDUMUCWXLQHMMR-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000969952057 658289795 /nfs/dbraw/zinc/28/97/95/658289795.db2.gz UUSLZZVZPZRMLO-UONOGXRCSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2ccnn2C)C1 ZINC000969952057 658289799 /nfs/dbraw/zinc/28/97/99/658289799.db2.gz UUSLZZVZPZRMLO-UONOGXRCSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001023889239 658296631 /nfs/dbraw/zinc/29/66/31/658296631.db2.gz MQFCLGBTYORMGO-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC000969985044 658322987 /nfs/dbraw/zinc/32/29/87/658322987.db2.gz AIOWFVMFDBIHQQ-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000926379361 658333932 /nfs/dbraw/zinc/33/39/32/658333932.db2.gz HDJPLKQQJBUNPQ-QLFBSQMISA-N 1 3 324.469 0.371 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734750 658362315 /nfs/dbraw/zinc/36/23/15/658362315.db2.gz FZKLPZFPMOCMAS-OAHLLOKOSA-N 1 3 317.437 0.512 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1)C(N)=O ZINC001020676270 658366929 /nfs/dbraw/zinc/36/69/29/658366929.db2.gz YZUFZGVSAFQGIY-KBUPBQIOSA-N 1 3 324.469 0.750 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCN(C)C3=O)C2)C1 ZINC001022716041 658369868 /nfs/dbraw/zinc/36/98/68/658369868.db2.gz PYYHVRLKNYEUTD-KBXIAJHMSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[C@H]1C[NH3+] ZINC000926388876 658392291 /nfs/dbraw/zinc/39/22/91/658392291.db2.gz BFVDCNXUMCOPJE-KGLIPLIRSA-N 1 3 324.469 0.372 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001024016942 658400816 /nfs/dbraw/zinc/40/08/16/658400816.db2.gz RBEPSDALTHPDQW-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946517191 665578107 /nfs/dbraw/zinc/57/81/07/665578107.db2.gz BCFGFVALCMJIGR-OWCLPIDISA-N 1 3 309.454 0.633 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946517191 665578109 /nfs/dbraw/zinc/57/81/09/665578109.db2.gz BCFGFVALCMJIGR-OWCLPIDISA-N 1 3 309.454 0.633 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)NCC12CC(C1)C[NH2+]2 ZINC000892262797 658433119 /nfs/dbraw/zinc/43/31/19/658433119.db2.gz XOMJEIPASKOYEX-YAJUMTOWSA-N 1 3 300.406 0.752 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)CCn2cncn2)C1)[NH+](C)C ZINC000972262291 658494093 /nfs/dbraw/zinc/49/40/93/658494093.db2.gz ATRZFOZRJSNMBU-HUUCEWRRSA-N 1 3 322.457 0.397 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001024162232 658496080 /nfs/dbraw/zinc/49/60/80/658496080.db2.gz SJSWLEBCSFJOTJ-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001022806801 658600050 /nfs/dbraw/zinc/60/00/50/658600050.db2.gz APTFNTNMPZQQRX-YIYPIFLZSA-N 1 3 310.442 0.360 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000999189362 665595986 /nfs/dbraw/zinc/59/59/86/665595986.db2.gz KMSQIAJCZQBIPS-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000999189362 665595987 /nfs/dbraw/zinc/59/59/87/665595987.db2.gz KMSQIAJCZQBIPS-VNQPRFMTSA-N 1 3 319.453 0.841 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC000970178690 658701930 /nfs/dbraw/zinc/70/19/30/658701930.db2.gz YFUCODFKYVAKIK-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)N1CCCCC1 ZINC001022077580 658835837 /nfs/dbraw/zinc/83/58/37/658835837.db2.gz RHFAMBQWIQQDDI-MJBXVCDLSA-N 1 3 322.453 0.376 20 0 DCADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001024983261 658845211 /nfs/dbraw/zinc/84/52/11/658845211.db2.gz OIEWLRCABNJEBG-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001039165860 658901256 /nfs/dbraw/zinc/90/12/56/658901256.db2.gz TXIZMHHUQRCEIN-WBVHZDCISA-N 1 3 323.481 0.881 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001039165860 658901257 /nfs/dbraw/zinc/90/12/57/658901257.db2.gz TXIZMHHUQRCEIN-WBVHZDCISA-N 1 3 323.481 0.881 20 0 DCADHO C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000891523166 658907380 /nfs/dbraw/zinc/90/73/80/658907380.db2.gz AWUQVIQLBOBDLF-LSDHHAIUSA-N 1 3 310.442 0.321 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC000999356479 665631107 /nfs/dbraw/zinc/63/11/07/665631107.db2.gz ZQAKQLKOBINUAZ-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027170071 659051113 /nfs/dbraw/zinc/05/11/13/659051113.db2.gz BPPNJQQDKVCXSY-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027170071 659051119 /nfs/dbraw/zinc/05/11/19/659051119.db2.gz BPPNJQQDKVCXSY-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC000999368371 665637860 /nfs/dbraw/zinc/63/78/60/665637860.db2.gz HKRZTZRVKNMXRX-LSDHHAIUSA-N 1 3 320.441 0.199 20 0 DCADHO O=C(N1CC[C@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC001027173705 659060877 /nfs/dbraw/zinc/06/08/77/659060877.db2.gz UDFPJJOUMCEDFZ-GFCCVEGCSA-N 1 3 321.450 0.572 20 0 DCADHO Cc1ncc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001027215279 659085260 /nfs/dbraw/zinc/08/52/60/659085260.db2.gz FXPQFIHYBLFQSB-KGLIPLIRSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001027215279 659085267 /nfs/dbraw/zinc/08/52/67/659085267.db2.gz FXPQFIHYBLFQSB-KGLIPLIRSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncoc1CNC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027216419 659088877 /nfs/dbraw/zinc/08/88/77/659088877.db2.gz UBEWTYOLHUYFRP-KBPBESRZSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncoc1CNC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027216419 659088880 /nfs/dbraw/zinc/08/88/80/659088880.db2.gz UBEWTYOLHUYFRP-KBPBESRZSA-N 1 3 306.410 0.873 20 0 DCADHO CCn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001027217879 659089558 /nfs/dbraw/zinc/08/95/58/659089558.db2.gz REPAVJIYVGZXOB-HNNXBMFYSA-N 1 3 319.453 0.937 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999470971 665649244 /nfs/dbraw/zinc/64/92/44/665649244.db2.gz YQDQOTYSTDYHIA-UHFFFAOYSA-N 1 3 316.409 0.507 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC000999489016 665653089 /nfs/dbraw/zinc/65/30/89/665653089.db2.gz IGWVTBIMOBPCSU-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)C1 ZINC001026361768 659239440 /nfs/dbraw/zinc/23/94/40/659239440.db2.gz SYLGWVWRZKNYTP-MELADBBJSA-N 1 3 322.453 0.030 20 0 DCADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC000892817821 659470386 /nfs/dbraw/zinc/47/03/86/659470386.db2.gz FWJQPUYGCCLDRW-LXTVHRRPSA-N 1 3 308.426 0.053 20 0 DCADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC000892817821 659470389 /nfs/dbraw/zinc/47/03/89/659470389.db2.gz FWJQPUYGCCLDRW-LXTVHRRPSA-N 1 3 308.426 0.053 20 0 DCADHO CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892818161 659470808 /nfs/dbraw/zinc/47/08/08/659470808.db2.gz JDDBHHAWUFWEJC-GJZGRUSLSA-N 1 3 312.458 0.927 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)[N@H+](C)C1CC1 ZINC000892822107 659472018 /nfs/dbraw/zinc/47/20/18/659472018.db2.gz WDDAWVPQVMMOMT-VNQPRFMTSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)[N@@H+](C)C1CC1 ZINC000892822107 659472021 /nfs/dbraw/zinc/47/20/21/659472021.db2.gz WDDAWVPQVMMOMT-VNQPRFMTSA-N 1 3 324.469 0.710 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026727074 659481397 /nfs/dbraw/zinc/48/13/97/659481397.db2.gz JMXZKCHJNTZRSV-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001026726945 659481444 /nfs/dbraw/zinc/48/14/44/659481444.db2.gz IDOFNTVFFFMHQC-ZFWWWQNUSA-N 1 3 305.426 0.452 20 0 DCADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)nn1C ZINC001026732811 659488809 /nfs/dbraw/zinc/48/88/09/659488809.db2.gz FWYYAKCZVIXIEY-GDBMZVCRSA-N 1 3 319.453 0.761 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001026734748 659492761 /nfs/dbraw/zinc/49/27/61/659492761.db2.gz SOYWJTMTNPJOJX-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892944729 659539157 /nfs/dbraw/zinc/53/91/57/659539157.db2.gz UUWXSIMJNTYBFT-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000892944729 659539161 /nfs/dbraw/zinc/53/91/61/659539161.db2.gz UUWXSIMJNTYBFT-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025798889 659564953 /nfs/dbraw/zinc/56/49/53/659564953.db2.gz OGOUEENSTRWWEM-VQJWOFKYSA-N 1 3 311.401 0.256 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC001025798889 659564955 /nfs/dbraw/zinc/56/49/55/659564955.db2.gz OGOUEENSTRWWEM-VQJWOFKYSA-N 1 3 311.401 0.256 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001026852098 659608207 /nfs/dbraw/zinc/60/82/07/659608207.db2.gz JRSFGDCLQVYNIW-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3ccn(C)n3)C2)CC[N@H+]1C ZINC001026852098 659608212 /nfs/dbraw/zinc/60/82/12/659608212.db2.gz JRSFGDCLQVYNIW-IJEWVQPXSA-N 1 3 319.453 0.698 20 0 DCADHO CC1(C)CN(CCO)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000977441207 659716296 /nfs/dbraw/zinc/71/62/96/659716296.db2.gz ROFZSISFWNVHCZ-MRXNPFEDSA-N 1 3 323.481 0.927 20 0 DCADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001027035508 659725665 /nfs/dbraw/zinc/72/56/65/659725665.db2.gz DTMJZZJOLJXUKT-ZDUSSCGKSA-N 1 3 320.441 0.095 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3nccn3C)C2)C1 ZINC001027065463 659763676 /nfs/dbraw/zinc/76/36/76/659763676.db2.gz YXRYPEKKNBEHCA-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3nccn3C)C2)C1 ZINC001027065463 659763678 /nfs/dbraw/zinc/76/36/78/659763678.db2.gz YXRYPEKKNBEHCA-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001027065282 659763780 /nfs/dbraw/zinc/76/37/80/659763780.db2.gz VINQFVFEHANOQV-ZIAGYGMSSA-N 1 3 320.441 0.095 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCn3cccn3)CC2(C)C)C1 ZINC000977593578 659773991 /nfs/dbraw/zinc/77/39/91/659773991.db2.gz BTNRPVOOAVHCKT-HUUCEWRRSA-N 1 3 319.453 0.661 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCn3cccn3)CC2(C)C)C1 ZINC000977593578 659773993 /nfs/dbraw/zinc/77/39/93/659773993.db2.gz BTNRPVOOAVHCKT-HUUCEWRRSA-N 1 3 319.453 0.661 20 0 DCADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000079761 665736491 /nfs/dbraw/zinc/73/64/91/665736491.db2.gz BDLWABAXIMHWDR-HNNXBMFYSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001032734056 665751914 /nfs/dbraw/zinc/75/19/14/665751914.db2.gz UTWPKDMCLPMJPL-JYJNAYRXSA-N 1 3 319.449 0.936 20 0 DCADHO O=C(N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001032734077 665752122 /nfs/dbraw/zinc/75/21/22/665752122.db2.gz WAKANCHWLBUFSE-ILXRZTDVSA-N 1 3 305.422 0.404 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCO)C[C@]2(C)C1)C1CC1 ZINC000982296162 661343074 /nfs/dbraw/zinc/34/30/74/661343074.db2.gz LMPJDGLGNZKLJL-BHYGNILZSA-N 1 3 309.454 0.489 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1)C1CC1 ZINC000982296162 661343075 /nfs/dbraw/zinc/34/30/75/661343075.db2.gz LMPJDGLGNZKLJL-BHYGNILZSA-N 1 3 309.454 0.489 20 0 DCADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCCO)C[C@]2(C)C1)N(C)C ZINC000982560383 661567025 /nfs/dbraw/zinc/56/70/25/661567025.db2.gz IJUGGCMQJWSSEJ-BHYGNILZSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCCO)C[C@]2(C)C1)N(C)C ZINC000982560383 661567027 /nfs/dbraw/zinc/56/70/27/661567027.db2.gz IJUGGCMQJWSSEJ-BHYGNILZSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779027 661821436 /nfs/dbraw/zinc/82/14/36/661821436.db2.gz SGIJBWLIOUXLAX-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cnccn1 ZINC000894986444 662041427 /nfs/dbraw/zinc/04/14/27/662041427.db2.gz MYIRUSYNYMHKAX-OAHLLOKOSA-N 1 3 319.453 0.924 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000727032258 662101108 /nfs/dbraw/zinc/10/11/08/662101108.db2.gz HQFLLEPAXKKTRZ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO C[C@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)[NH+]1CCCCCC1 ZINC001000378564 665832134 /nfs/dbraw/zinc/83/21/34/665832134.db2.gz OFVZUEYEGAISJN-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO COC(=O)[C@@H]1[C@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)C1(F)F ZINC000895332904 662170188 /nfs/dbraw/zinc/17/01/88/662170188.db2.gz QYWHAKFBCZCECU-AVGNSLFASA-N 1 3 318.364 0.884 20 0 DCADHO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cn(C)c(=O)n(C)c1=O ZINC000895376800 662177923 /nfs/dbraw/zinc/17/79/23/662177923.db2.gz JSYVXKVQKAAMKI-ZFWWWQNUSA-N 1 3 322.453 0.636 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC000896619038 662300375 /nfs/dbraw/zinc/30/03/75/662300375.db2.gz SQKZVHKNPUGZLZ-APIJFGDWSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC000896619038 662300377 /nfs/dbraw/zinc/30/03/77/662300377.db2.gz SQKZVHKNPUGZLZ-APIJFGDWSA-N 1 3 310.442 0.320 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNCc3nccn3C)C2)C1 ZINC000984806048 662316906 /nfs/dbraw/zinc/31/69/06/662316906.db2.gz WNVNMECVVXCPPY-RBSFLKMASA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNCc3nccn3C)C2)C1 ZINC000984806048 662316907 /nfs/dbraw/zinc/31/69/07/662316907.db2.gz WNVNMECVVXCPPY-RBSFLKMASA-N 1 3 319.453 0.746 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000985123044 662371350 /nfs/dbraw/zinc/37/13/50/662371350.db2.gz IXQSHUDXRKECES-IJLUTSLNSA-N 1 3 309.439 0.474 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000985123044 662371353 /nfs/dbraw/zinc/37/13/53/662371353.db2.gz IXQSHUDXRKECES-IJLUTSLNSA-N 1 3 309.439 0.474 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985459139 662454386 /nfs/dbraw/zinc/45/43/86/662454386.db2.gz HXIUTSQBBYXRJQ-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985459139 662454387 /nfs/dbraw/zinc/45/43/87/662454387.db2.gz HXIUTSQBBYXRJQ-AWEZNQCLSA-N 1 3 310.442 0.269 20 0 DCADHO CC[N@H+](C)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543361 662476183 /nfs/dbraw/zinc/47/61/83/662476183.db2.gz MXDDPAHZTLDRMZ-GULBITTBSA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543361 662476184 /nfs/dbraw/zinc/47/61/84/662476184.db2.gz MXDDPAHZTLDRMZ-GULBITTBSA-N 1 3 307.438 0.792 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000985599748 662490628 /nfs/dbraw/zinc/49/06/28/662490628.db2.gz RCZQVYOEDGVCGP-MJBXVCDLSA-N 1 3 324.469 0.513 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000985599748 662490629 /nfs/dbraw/zinc/49/06/29/662490629.db2.gz RCZQVYOEDGVCGP-MJBXVCDLSA-N 1 3 324.469 0.513 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000985655130 662496965 /nfs/dbraw/zinc/49/69/65/662496965.db2.gz SCEIPWGYXCLPGZ-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000985655130 662496966 /nfs/dbraw/zinc/49/69/66/662496966.db2.gz SCEIPWGYXCLPGZ-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985802377 662514873 /nfs/dbraw/zinc/51/48/73/662514873.db2.gz RIIYFPIBJOSNSQ-CHWSQXEVSA-N 1 3 310.442 0.267 20 0 DCADHO CN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904588 662554410 /nfs/dbraw/zinc/55/44/10/662554410.db2.gz YSVMWBYZXSBXIS-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001029904588 662554412 /nfs/dbraw/zinc/55/44/12/662554412.db2.gz YSVMWBYZXSBXIS-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354600 662583276 /nfs/dbraw/zinc/58/32/76/662583276.db2.gz KMNFGTHYEWICAA-CZUORRHYSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000897460762 662762186 /nfs/dbraw/zinc/76/21/86/662762186.db2.gz VYZRKQIASRWEGR-LSDHHAIUSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000897460762 662762187 /nfs/dbraw/zinc/76/21/87/662762187.db2.gz VYZRKQIASRWEGR-LSDHHAIUSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000897460788 662762247 /nfs/dbraw/zinc/76/22/47/662762247.db2.gz WQCZDFZBDJZBAX-GJZGRUSLSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000897460788 662762249 /nfs/dbraw/zinc/76/22/49/662762249.db2.gz WQCZDFZBDJZBAX-GJZGRUSLSA-N 1 3 312.458 0.474 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000729499907 662892458 /nfs/dbraw/zinc/89/24/58/662892458.db2.gz AXKFUPFNGOREIZ-WCVJEAGWSA-N 1 3 322.453 0.776 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000729499907 662892460 /nfs/dbraw/zinc/89/24/60/662892460.db2.gz AXKFUPFNGOREIZ-WCVJEAGWSA-N 1 3 322.453 0.776 20 0 DCADHO Cc1nc(CN[C@H]2C[C@@H](C)N(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC000989682878 662971413 /nfs/dbraw/zinc/97/14/13/662971413.db2.gz KJPSZUGWFQMIBZ-YPMHNXCESA-N 1 3 318.425 0.288 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000989800757 662978079 /nfs/dbraw/zinc/97/80/79/662978079.db2.gz VTNPOHOJDYGUHN-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001030020939 663086877 /nfs/dbraw/zinc/08/68/77/663086877.db2.gz ZJHZQQJRJYWMGD-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001030021599 663088767 /nfs/dbraw/zinc/08/87/67/663088767.db2.gz BZQKHJMAICZUMQ-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](C[N@H+](C)Cc1ccccc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924772614 663223090 /nfs/dbraw/zinc/22/30/90/663223090.db2.gz ZQXLBUSFNBEXCJ-UKRRQHHQSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@H](C[N@@H+](C)Cc1ccccc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924772614 663223091 /nfs/dbraw/zinc/22/30/91/663223091.db2.gz ZQXLBUSFNBEXCJ-UKRRQHHQSA-N 1 3 318.421 0.989 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000900216482 663226751 /nfs/dbraw/zinc/22/67/51/663226751.db2.gz NCVVVCRAXFTEGA-KGLIPLIRSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000900216482 663226752 /nfs/dbraw/zinc/22/67/52/663226752.db2.gz NCVVVCRAXFTEGA-KGLIPLIRSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000900240037 663227718 /nfs/dbraw/zinc/22/77/18/663227718.db2.gz JAIDZRDCQUUOFG-KGLIPLIRSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000900240037 663227720 /nfs/dbraw/zinc/22/77/20/663227720.db2.gz JAIDZRDCQUUOFG-KGLIPLIRSA-N 1 3 305.426 0.801 20 0 DCADHO CC1(C)CN([C@@H]2CCNC2=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221395 665948410 /nfs/dbraw/zinc/94/84/10/665948410.db2.gz SNXVASGTBHCPPL-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000914728 665949264 /nfs/dbraw/zinc/94/92/64/665949264.db2.gz AUOOMCQIBANQGG-HUUCEWRRSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000914728 665949266 /nfs/dbraw/zinc/94/92/66/665949266.db2.gz AUOOMCQIBANQGG-HUUCEWRRSA-N 1 3 305.426 0.452 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000903423622 663455096 /nfs/dbraw/zinc/45/50/96/663455096.db2.gz ZAKWCQLWOKHVQU-IJLUTSLNSA-N 1 3 323.359 0.883 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC000903423610 663455129 /nfs/dbraw/zinc/45/51/29/663455129.db2.gz ZAKWCQLWOKHVQU-GRYCIOLGSA-N 1 3 323.359 0.883 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000903479857 663456221 /nfs/dbraw/zinc/45/62/21/663456221.db2.gz YCCONMWEQKSLGF-NQNKBUKLSA-N 1 3 323.481 0.974 20 0 DCADHO CC[C@@H](C)NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491908 663458272 /nfs/dbraw/zinc/45/82/72/663458272.db2.gz FUUYHKUZSRYJOE-VBTGVMJWSA-N 1 3 311.426 0.502 20 0 DCADHO CCCCCNC(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492389 663458300 /nfs/dbraw/zinc/45/83/00/663458300.db2.gz BXVCARGVRQAKKY-ZENOOKHLSA-N 1 3 311.426 0.505 20 0 DCADHO C[C@@H]1CN(CCN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903751379 663477578 /nfs/dbraw/zinc/47/75/78/663477578.db2.gz DPPSVDPUBHIXKV-YYIAUSFCSA-N 1 3 311.470 0.796 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903755806 663482598 /nfs/dbraw/zinc/48/25/98/663482598.db2.gz DDBNGYZMKURQLO-ZIAGYGMSSA-N 1 3 312.458 0.228 20 0 DCADHO O=C1OCCCN1C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903823951 663487926 /nfs/dbraw/zinc/48/79/26/663487926.db2.gz MADNRMZJNXQMQK-AWEZNQCLSA-N 1 3 309.410 0.814 20 0 DCADHO CN(C[C@]1(C)CCC[NH2+]C1)C1CCN(S(C)(=O)=O)CC1 ZINC000904327334 663508645 /nfs/dbraw/zinc/50/86/45/663508645.db2.gz DEKOBUQNYYGBMF-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO C[N@H+](C[C@]1(C)CCCNC1)C1CCN(S(C)(=O)=O)CC1 ZINC000904327334 663508648 /nfs/dbraw/zinc/50/86/48/663508648.db2.gz DEKOBUQNYYGBMF-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO C[N@@H+](C[C@]1(C)CCCNC1)C1CCN(S(C)(=O)=O)CC1 ZINC000904327334 663508650 /nfs/dbraw/zinc/50/86/50/663508650.db2.gz DEKOBUQNYYGBMF-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@H](O)CNC ZINC000905354669 663548289 /nfs/dbraw/zinc/54/82/89/663548289.db2.gz OOKNZSNOZGAOSK-GZBFAFLISA-N 1 3 302.415 0.031 20 0 DCADHO CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000941344034 665978222 /nfs/dbraw/zinc/97/82/22/665978222.db2.gz BAKLAYIKGIIOLF-KRWDZBQOSA-N 1 3 322.497 0.955 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941345374 665978310 /nfs/dbraw/zinc/97/83/10/665978310.db2.gz TXSKZLCXUATWCM-QGZVFWFLSA-N 1 3 320.481 0.709 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665418 663628668 /nfs/dbraw/zinc/62/86/68/663628668.db2.gz VMDRPWUHKBYMHE-UHFFFAOYSA-N 1 3 304.394 0.636 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CCCCC1 ZINC000910947537 663961571 /nfs/dbraw/zinc/96/15/71/663961571.db2.gz ZVQHBWIUYCHEOY-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911027506 663968937 /nfs/dbraw/zinc/96/89/37/663968937.db2.gz CQORHIRCUCSPEE-BARDWOONSA-N 1 3 324.469 0.467 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911054392 663972920 /nfs/dbraw/zinc/97/29/20/663972920.db2.gz GWVDEEKEBZAMFG-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911054215 663972930 /nfs/dbraw/zinc/97/29/30/663972930.db2.gz HFSZGQQCJNYYOG-RHSMWYFYSA-N 1 3 322.453 0.332 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911054895 663973052 /nfs/dbraw/zinc/97/30/52/663973052.db2.gz MPWRXOFFUQRTSW-ZNMIVQPWSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)N1CCC(C)CC1 ZINC000911090295 663985875 /nfs/dbraw/zinc/98/58/75/663985875.db2.gz GZRHYMMFUGVBAV-QLFBSQMISA-N 1 3 324.469 0.276 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000911309514 664025463 /nfs/dbraw/zinc/02/54/63/664025463.db2.gz FFUBWBHGBDHCMY-STQMWFEESA-N 1 3 310.442 0.078 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000911284028 664026837 /nfs/dbraw/zinc/02/68/37/664026837.db2.gz YWLQXUHEVNHGNC-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911326126 664028427 /nfs/dbraw/zinc/02/84/27/664028427.db2.gz ZSTRSKFFCXEVPX-RDBSUJKOSA-N 1 3 322.453 0.234 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911325922 664028616 /nfs/dbraw/zinc/02/86/16/664028616.db2.gz XXIQAWNDLCXNOG-XLWJZTARSA-N 1 3 320.437 0.129 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000911367517 664043847 /nfs/dbraw/zinc/04/38/47/664043847.db2.gz QHWNNEHSBFKLIS-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911488179 664064213 /nfs/dbraw/zinc/06/42/13/664064213.db2.gz IQRZVEMNLPYYAI-AGIUHOORSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911532030 664069862 /nfs/dbraw/zinc/06/98/62/664069862.db2.gz JEDUZRAEGRHOJJ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000911532436 664069947 /nfs/dbraw/zinc/06/99/47/664069947.db2.gz LKOBREKBYQPFDW-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911532031 664070261 /nfs/dbraw/zinc/07/02/61/664070261.db2.gz JEDUZRAEGRHOJJ-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000911533659 664070563 /nfs/dbraw/zinc/07/05/63/664070563.db2.gz PDOSSQDFNRSKSX-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000911519003 664073674 /nfs/dbraw/zinc/07/36/74/664073674.db2.gz DVCKBRJDXVWLFK-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CCC[C@@H](C)C1 ZINC000911519047 664073886 /nfs/dbraw/zinc/07/38/86/664073886.db2.gz FACXYXPTZLTIIN-RDBSUJKOSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911563609 664082165 /nfs/dbraw/zinc/08/21/65/664082165.db2.gz PBQKTIWTUPGPCK-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911564699 664082751 /nfs/dbraw/zinc/08/27/51/664082751.db2.gz VCYYBUJBODRFOC-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO N[C@H]1CCc2cc(C(=O)N[C@@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000911674307 664099587 /nfs/dbraw/zinc/09/95/87/664099587.db2.gz SSWYIDZNVXKMIJ-OLZOCXBDSA-N 1 3 302.378 0.380 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000912603078 664191444 /nfs/dbraw/zinc/19/14/44/664191444.db2.gz BVIWLDIDFQESFZ-QGZVFWFLSA-N 1 3 319.449 0.891 20 0 DCADHO CN(CCO)CCN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000912603078 664191445 /nfs/dbraw/zinc/19/14/45/664191445.db2.gz BVIWLDIDFQESFZ-QGZVFWFLSA-N 1 3 319.449 0.891 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000992090182 664660166 /nfs/dbraw/zinc/66/01/66/664660166.db2.gz KHJVZRAWZZDERL-UMVBOHGHSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000992090182 664660167 /nfs/dbraw/zinc/66/01/67/664660167.db2.gz KHJVZRAWZZDERL-UMVBOHGHSA-N 1 3 322.453 0.138 20 0 DCADHO CCO[C@@H](CNC(=O)NCCN1CCCCC1)C[NH+](C)C ZINC000913953583 664738517 /nfs/dbraw/zinc/73/85/17/664738517.db2.gz ZRFUWILGXWPDIZ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CN1CCN(C(C)(C)CNC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000913997689 664741755 /nfs/dbraw/zinc/74/17/55/664741755.db2.gz WLTOQODGDPOGJA-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000923596484 664827020 /nfs/dbraw/zinc/82/70/20/664827020.db2.gz RKGAZHJCAPPRIG-UONOGXRCSA-N 1 3 303.472 0.778 20 0 DCADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC000997854509 665354673 /nfs/dbraw/zinc/35/46/73/665354673.db2.gz FWJSTNCSJXHZPT-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001001252001 666023225 /nfs/dbraw/zinc/02/32/25/666023225.db2.gz JDZMXPUTIRXUJT-CVEARBPZSA-N 1 3 307.438 0.744 20 0 DCADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001001252001 666023227 /nfs/dbraw/zinc/02/32/27/666023227.db2.gz JDZMXPUTIRXUJT-CVEARBPZSA-N 1 3 307.438 0.744 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941666274 666041048 /nfs/dbraw/zinc/04/10/48/666041048.db2.gz SKFKVPYQZJTTEZ-INIZCTEOSA-N 1 3 320.481 0.567 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941666274 666041050 /nfs/dbraw/zinc/04/10/50/666041050.db2.gz SKFKVPYQZJTTEZ-INIZCTEOSA-N 1 3 320.481 0.567 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666234 666041123 /nfs/dbraw/zinc/04/11/23/666041123.db2.gz RJCLHZHQCSJCQC-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666234 666041126 /nfs/dbraw/zinc/04/11/26/666041126.db2.gz RJCLHZHQCSJCQC-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CCCO)CC1 ZINC001001471542 666056558 /nfs/dbraw/zinc/05/65/58/666056558.db2.gz JZFQJNKSHLMTER-INIZCTEOSA-N 1 3 309.454 0.992 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCO)CC1 ZINC001001471542 666056560 /nfs/dbraw/zinc/05/65/60/666056560.db2.gz JZFQJNKSHLMTER-INIZCTEOSA-N 1 3 309.454 0.992 20 0 DCADHO COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000921997980 666222521 /nfs/dbraw/zinc/22/25/21/666222521.db2.gz BXPGNPAXXKJVFG-CXAGYDPISA-N 1 3 322.405 0.783 20 0 DCADHO COCC[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003333712 666295989 /nfs/dbraw/zinc/29/59/89/666295989.db2.gz SJEAUMYETGQDGA-GNHJJJEISA-N 1 3 323.437 0.077 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000925357463 666344149 /nfs/dbraw/zinc/34/41/49/666344149.db2.gz FJUJJCHPRRPXGP-UONOGXRCSA-N 1 3 308.426 0.877 20 0 DCADHO CCC[N@H+]1CC[C@H](N2C(=O)N[C@H](CN3CCCCC3)C2=O)C1 ZINC000925357463 666344150 /nfs/dbraw/zinc/34/41/50/666344150.db2.gz FJUJJCHPRRPXGP-UONOGXRCSA-N 1 3 308.426 0.877 20 0 DCADHO C[C@H]1CC[C@H](CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001032130201 666365972 /nfs/dbraw/zinc/36/59/72/666365972.db2.gz HKMOCZWBDBVSAU-DZGCQCFKSA-N 1 3 307.438 0.698 20 0 DCADHO C[C@@H]1CC[C@H](CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001032130206 666365988 /nfs/dbraw/zinc/36/59/88/666365988.db2.gz HKMOCZWBDBVSAU-UKRRQHHQSA-N 1 3 307.438 0.698 20 0 DCADHO CN(CCNC/C=C/Cl)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001691324897 1157643778 /nfs/dbraw/zinc/64/37/78/1157643778.db2.gz ZWBRJYCGHCYHRW-GQCTYLIASA-N 1 3 313.833 0.859 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000945381288 666605003 /nfs/dbraw/zinc/60/50/03/666605003.db2.gz HVCNCMBYNJWHKL-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000945381288 666605005 /nfs/dbraw/zinc/60/50/05/666605005.db2.gz HVCNCMBYNJWHKL-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2CC1)N(C)C ZINC000946784365 666656633 /nfs/dbraw/zinc/65/66/33/666656633.db2.gz HPKJRZXFFSFILK-ZNMIVQPWSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2CC1)N(C)C ZINC000946784365 666656634 /nfs/dbraw/zinc/65/66/34/666656634.db2.gz HPKJRZXFFSFILK-ZNMIVQPWSA-N 1 3 324.469 0.243 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000996311374 666769218 /nfs/dbraw/zinc/76/92/18/666769218.db2.gz SCQZOTREBJYYBA-GFCCVEGCSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033661625 666791756 /nfs/dbraw/zinc/79/17/56/666791756.db2.gz LXACHAHCCJEMFK-GJZGRUSLSA-N 1 3 305.426 0.368 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033661625 666791759 /nfs/dbraw/zinc/79/17/59/666791759.db2.gz LXACHAHCCJEMFK-GJZGRUSLSA-N 1 3 305.426 0.368 20 0 DCADHO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CCN(CCO)CC1 ZINC001005388576 666840285 /nfs/dbraw/zinc/84/02/85/666840285.db2.gz AOANROHJWSXIAT-HOCLYGCPSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1CCN(CCO)CC1 ZINC001005388576 666840287 /nfs/dbraw/zinc/84/02/87/666840287.db2.gz AOANROHJWSXIAT-HOCLYGCPSA-N 1 3 309.454 0.776 20 0 DCADHO CN(CC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1)C1CCC1 ZINC000996664714 666853508 /nfs/dbraw/zinc/85/35/08/666853508.db2.gz HZZQKIZKAAOBHQ-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC000996690267 666862189 /nfs/dbraw/zinc/86/21/89/666862189.db2.gz WOLAZMCIDIEZQN-INIZCTEOSA-N 1 3 324.469 0.386 20 0 DCADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861539093 666940229 /nfs/dbraw/zinc/94/02/29/666940229.db2.gz JSWPFDZKZMQZEZ-NSHDSACASA-N 1 3 322.409 0.501 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[NH2+]C12CCC2 ZINC000861571617 666946176 /nfs/dbraw/zinc/94/61/76/666946176.db2.gz FYCDBEANTAOZLI-MCIONIFRSA-N 1 3 308.426 0.433 20 0 DCADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000861574119 666946394 /nfs/dbraw/zinc/94/63/94/666946394.db2.gz PLUSVZRDXAUFSP-WTTBNOFXSA-N 1 3 322.453 0.491 20 0 DCADHO [NH3+]CCCOCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000861644259 666953122 /nfs/dbraw/zinc/95/31/22/666953122.db2.gz ZYWPJVPZMXVUCK-OAHLLOKOSA-N 1 3 306.410 0.538 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1)N(C)C ZINC000997011749 667074476 /nfs/dbraw/zinc/07/44/76/667074476.db2.gz CSCQRIMOXQTJMC-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001034733847 667128284 /nfs/dbraw/zinc/12/82/84/667128284.db2.gz DZVOIJXJBUDXSG-AJNGGQMLSA-N 1 3 322.453 0.234 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2c3c(nn2C)CCOC3)CC1 ZINC000921526626 667158698 /nfs/dbraw/zinc/15/86/98/667158698.db2.gz IEFMMYKZAGPCEV-UHFFFAOYSA-N 1 3 321.469 0.610 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O)C1CCC1 ZINC001034957789 667198346 /nfs/dbraw/zinc/19/83/46/667198346.db2.gz JMJAXIAOMFIFCO-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO CC1(C)CC[C@H](CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)[NH2+]C1 ZINC000864059269 667207888 /nfs/dbraw/zinc/20/78/88/667207888.db2.gz ZSPBFXQLIODALI-HZSPNIEDSA-N 1 3 310.442 0.225 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000997301015 667234048 /nfs/dbraw/zinc/23/40/48/667234048.db2.gz ZRFYDACNEBTBJU-AWEZNQCLSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000997301015 667234050 /nfs/dbraw/zinc/23/40/50/667234050.db2.gz ZRFYDACNEBTBJU-AWEZNQCLSA-N 1 3 319.453 0.761 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001035102101 667239728 /nfs/dbraw/zinc/23/97/28/667239728.db2.gz JRKYVZRWMXVMLS-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001035102101 667239729 /nfs/dbraw/zinc/23/97/29/667239729.db2.gz JRKYVZRWMXVMLS-ZIAGYGMSSA-N 1 3 320.441 0.238 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001035125761 667252075 /nfs/dbraw/zinc/25/20/75/667252075.db2.gz NBCJZHPZADWTMU-MRXNPFEDSA-N 1 3 319.453 0.905 20 0 DCADHO CN1CCN(C2CCN(C(=S)NCC[NH+](C)C)CC2)CC1 ZINC000865267808 667317160 /nfs/dbraw/zinc/31/71/60/667317160.db2.gz WGSFNBIKSSOEEU-UHFFFAOYSA-N 1 3 313.515 0.134 20 0 DCADHO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035798311 667410647 /nfs/dbraw/zinc/41/06/47/667410647.db2.gz LZPXBYGGGHGKCJ-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035815019 667412919 /nfs/dbraw/zinc/41/29/19/667412919.db2.gz XUEKRWNRSMXHSX-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035815019 667412920 /nfs/dbraw/zinc/41/29/20/667412920.db2.gz XUEKRWNRSMXHSX-CVEARBPZSA-N 1 3 321.465 0.920 20 0 DCADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036031822 667421688 /nfs/dbraw/zinc/42/16/88/667421688.db2.gz ZPCRDSFQENSHPV-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867607350 667475392 /nfs/dbraw/zinc/47/53/92/667475392.db2.gz NHQWMGIJQJXVEB-KKUMJFAQSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867607350 667475393 /nfs/dbraw/zinc/47/53/93/667475393.db2.gz NHQWMGIJQJXVEB-KKUMJFAQSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923374620 667519960 /nfs/dbraw/zinc/51/99/60/667519960.db2.gz BUDYRLWHUCSOAW-LSDHHAIUSA-N 1 3 311.430 0.550 20 0 DCADHO CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000923374620 667519964 /nfs/dbraw/zinc/51/99/64/667519964.db2.gz BUDYRLWHUCSOAW-LSDHHAIUSA-N 1 3 311.430 0.550 20 0 DCADHO NCc1cn([C@H]2CCC[N@H+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC000923374829 667520228 /nfs/dbraw/zinc/52/02/28/667520228.db2.gz CYOSFRXTANESRE-IRXDYDNUSA-N 1 3 315.421 0.977 20 0 DCADHO NCc1cn([C@H]2CCC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC000923374829 667520231 /nfs/dbraw/zinc/52/02/31/667520231.db2.gz CYOSFRXTANESRE-IRXDYDNUSA-N 1 3 315.421 0.977 20 0 DCADHO [NH3+]CC1(O)CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000923380784 667521078 /nfs/dbraw/zinc/52/10/78/667521078.db2.gz ILAIISSEBIXFAM-ZDUSSCGKSA-N 1 3 314.813 0.865 20 0 DCADHO NC(=O)Cc1cccc2c1CCN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923413467 667529888 /nfs/dbraw/zinc/52/98/88/667529888.db2.gz PMUMOAAYUSBSLZ-OAHLLOKOSA-N 1 3 315.417 0.451 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364538 667532094 /nfs/dbraw/zinc/53/20/94/667532094.db2.gz SWLQOAZGYAAWGG-ZNMIVQPWSA-N 1 3 304.438 0.688 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884450703 667547577 /nfs/dbraw/zinc/54/75/77/667547577.db2.gz QGGPCMSTPGARBB-IMJJTQAJSA-N 1 3 305.422 0.844 20 0 DCADHO CO[C@@H](CN)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884450703 667547580 /nfs/dbraw/zinc/54/75/80/667547580.db2.gz QGGPCMSTPGARBB-IMJJTQAJSA-N 1 3 305.422 0.844 20 0 DCADHO C[C@@H]1CN([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1C[NH3+] ZINC000923501308 667550750 /nfs/dbraw/zinc/55/07/50/667550750.db2.gz QDCVQAZAYZMRLZ-RDBSUJKOSA-N 1 3 305.426 0.832 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868359197 667560005 /nfs/dbraw/zinc/56/00/05/667560005.db2.gz VTKQJSFXGGDVMX-MRXNPFEDSA-N 1 3 312.458 0.230 20 0 DCADHO [NH3+][C@H]1CCCCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000884631610 667579820 /nfs/dbraw/zinc/57/98/20/667579820.db2.gz PXXDAFWMLSUEBD-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884665426 667584822 /nfs/dbraw/zinc/58/48/22/667584822.db2.gz SZYZJHIDTMCYKP-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COC(=O)c1cc2n(n1)CCC[C@H]2NCCOCC[NH+](C)C ZINC000886598991 667780944 /nfs/dbraw/zinc/78/09/44/667780944.db2.gz OSUCCKPXXHALKI-GFCCVEGCSA-N 1 3 310.398 0.672 20 0 DCADHO CN(CCCCCC[NH3+])CCNS(=O)(=O)c1cnn(C)c1 ZINC000872155499 667870314 /nfs/dbraw/zinc/87/03/14/667870314.db2.gz MYCWLVITGQYCIJ-UHFFFAOYSA-N 1 3 317.459 0.149 20 0 DCADHO [NH3+][C@H]1CCCN(Cc2cn(CCCN3CCSCC3)nn2)C1 ZINC000887415839 667881698 /nfs/dbraw/zinc/88/16/98/667881698.db2.gz YACAFOUPAUSTST-AWEZNQCLSA-N 1 3 324.498 0.640 20 0 DCADHO CN1CC[NH+](C[C@H](O)CNCc2ncc(Cl)s2)CC1 ZINC000872244127 667882234 /nfs/dbraw/zinc/88/22/34/667882234.db2.gz CPCKBKPHVACGCO-SNVBAGLBSA-N 1 3 304.847 0.494 20 0 DCADHO C[C@@H]1C[C@@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC[N@@H+]1C ZINC000924629484 668222685 /nfs/dbraw/zinc/22/26/85/668222685.db2.gz PRQFERAWUAQQGP-RDBSUJKOSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@@H]1C[C@@H](N2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC[N@H+]1C ZINC000924629484 668222691 /nfs/dbraw/zinc/22/26/91/668222691.db2.gz PRQFERAWUAQQGP-RDBSUJKOSA-N 1 3 308.426 0.875 20 0 DCADHO CC(C)[NH+]1CCC(CCN2C(=O)N[C@@H](CN(C)C)C2=O)CC1 ZINC000925040180 668268715 /nfs/dbraw/zinc/26/87/15/668268715.db2.gz KNJOYDYIDGDBAS-AWEZNQCLSA-N 1 3 310.442 0.979 20 0 DCADHO c1ccc(CN2CCCO[C@@H](CN[C@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925650477 668338255 /nfs/dbraw/zinc/33/82/55/668338255.db2.gz OYEVQZWVMNSFLR-ROUUACIJSA-N 1 3 319.449 0.856 20 0 DCADHO C1CC1[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CNCCO1 ZINC000925801719 668350361 /nfs/dbraw/zinc/35/03/61/668350361.db2.gz YMLIHWCYYGPIGE-HRCADAONSA-N 1 3 309.454 0.502 20 0 DCADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2 ZINC000926177586 668383339 /nfs/dbraw/zinc/38/33/39/668383339.db2.gz WWFYXAYFDSBRCB-TXCZRRACSA-N 1 3 311.470 0.923 20 0 DCADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C2 ZINC000926177586 668383341 /nfs/dbraw/zinc/38/33/41/668383341.db2.gz WWFYXAYFDSBRCB-TXCZRRACSA-N 1 3 311.470 0.923 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926324148 668394545 /nfs/dbraw/zinc/39/45/45/668394545.db2.gz SBYWGJDEDKWWSJ-AWEZNQCLSA-N 1 3 324.469 0.517 20 0 DCADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926334970 668394798 /nfs/dbraw/zinc/39/47/98/668394798.db2.gz PFZFZMXGYKMOBB-PBHICJAKSA-N 1 3 320.437 0.038 20 0 DCADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cn(C)cn1 ZINC000926574941 668413129 /nfs/dbraw/zinc/41/31/29/668413129.db2.gz CEAJIVSYSYOPIB-HNNXBMFYSA-N 1 3 321.469 0.867 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000876111171 668414116 /nfs/dbraw/zinc/41/41/16/668414116.db2.gz WHDRUGOGZIHZJD-AVVWSFFYSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1CN(CC[C@H]2CCOC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764468154 668448621 /nfs/dbraw/zinc/44/86/21/668448621.db2.gz FYORCOYJCRQHKD-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927639185 668490174 /nfs/dbraw/zinc/49/01/74/668490174.db2.gz BHCCMSUQYQMQNK-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000877108934 668563331 /nfs/dbraw/zinc/56/33/31/668563331.db2.gz XYTNYXJVTGPNMC-LLVKDONJSA-N 1 3 319.409 0.723 20 0 DCADHO O=C(NCc1cccc2c1CC[NH2+]C2)c1[nH]nc2c1CNCC2 ZINC000877142181 668566178 /nfs/dbraw/zinc/56/61/78/668566178.db2.gz QJIXUOQJBSERMG-UHFFFAOYSA-N 1 3 311.389 0.631 20 0 DCADHO CN1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CCC1(C)C ZINC000877206806 668576152 /nfs/dbraw/zinc/57/61/52/668576152.db2.gz QLRIFEJJGJREHV-UHFFFAOYSA-N 1 3 320.441 0.759 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000878300711 668709590 /nfs/dbraw/zinc/70/95/90/668709590.db2.gz HKKHXINYRUTQIZ-OAHLLOKOSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CC(C)(C)O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878326061 668712843 /nfs/dbraw/zinc/71/28/43/668712843.db2.gz VXARPPZCELNLST-PMPSAXMXSA-N 1 3 313.486 0.466 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)N1CCCCC1 ZINC000774854455 668849039 /nfs/dbraw/zinc/84/90/39/668849039.db2.gz NYQNBTOTKYCKAM-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C[C@]1(O)CCOC1 ZINC000930061207 668950394 /nfs/dbraw/zinc/95/03/94/668950394.db2.gz PCTQMGHCSWFJLI-BZZMCLGOSA-N 1 3 324.465 0.838 20 0 DCADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[C@]1(O)CCOC1 ZINC000930061207 668950395 /nfs/dbraw/zinc/95/03/95/668950395.db2.gz PCTQMGHCSWFJLI-BZZMCLGOSA-N 1 3 324.465 0.838 20 0 DCADHO C[C@@H]1CN(CCO[C@H]2CCOC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930135277 668965445 /nfs/dbraw/zinc/96/54/45/668965445.db2.gz CZHJFKXKBGGQCP-IKGGRYGDSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1C[N@H+](CCO[C@H]2CCOC2)CC[C@@H]1N1CCN(C)CC1 ZINC000930135277 668965448 /nfs/dbraw/zinc/96/54/48/668965448.db2.gz CZHJFKXKBGGQCP-IKGGRYGDSA-N 1 3 311.470 0.750 20 0 DCADHO C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)CC[C@@H]1N1CCN(C)CC1 ZINC000930135277 668965451 /nfs/dbraw/zinc/96/54/51/668965451.db2.gz CZHJFKXKBGGQCP-IKGGRYGDSA-N 1 3 311.470 0.750 20 0 DCADHO CN(CCNC1CC[NH+](C(C)(C)C)CC1)CCOCCO ZINC000883348901 669674749 /nfs/dbraw/zinc/67/47/49/669674749.db2.gz IJTYVUAFVWMNPQ-UHFFFAOYSA-N 1 3 301.475 0.780 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000950077531 669928695 /nfs/dbraw/zinc/92/86/95/669928695.db2.gz RKERUUXHBTXWBE-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000950077531 669928698 /nfs/dbraw/zinc/92/86/98/669928698.db2.gz RKERUUXHBTXWBE-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cnccn1 ZINC000853961075 670508895 /nfs/dbraw/zinc/50/88/95/670508895.db2.gz WHGKDEDXDWZURG-AWEZNQCLSA-N 1 3 322.457 0.590 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cnccn1 ZINC000853961075 670508898 /nfs/dbraw/zinc/50/88/98/670508898.db2.gz WHGKDEDXDWZURG-AWEZNQCLSA-N 1 3 322.457 0.590 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000848615022 670706295 /nfs/dbraw/zinc/70/62/95/670706295.db2.gz ZEQFPKGNUSNYGA-HUUCEWRRSA-N 1 3 324.469 0.755 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000851658010 671005578 /nfs/dbraw/zinc/00/55/78/671005578.db2.gz SXERUDSNJLNQGL-JQWIXIFHSA-N 1 3 322.413 0.313 20 0 DCADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)CNC[C@@H]1CCCO1 ZINC000818582770 671032697 /nfs/dbraw/zinc/03/26/97/671032697.db2.gz WYWPQDFIVGEKSI-LBPRGKRZSA-N 1 3 320.393 0.082 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc2c1C[NH2+]C2 ZINC000852798227 671161145 /nfs/dbraw/zinc/16/11/45/671161145.db2.gz GWJVIOFGGMRBPV-UONOGXRCSA-N 1 3 301.390 0.883 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)=NO1 ZINC000852860592 671176958 /nfs/dbraw/zinc/17/69/58/671176958.db2.gz SFWLUXOZPFMLEP-CABCVRRESA-N 1 3 316.405 0.871 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)=NO1 ZINC000852909275 671193064 /nfs/dbraw/zinc/19/30/64/671193064.db2.gz PUPDGPMTOKMMLM-JSGCOSHPSA-N 1 3 304.350 0.390 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000821436992 671279517 /nfs/dbraw/zinc/27/95/17/671279517.db2.gz SFTZAUOTFPGPFU-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000827319523 671522370 /nfs/dbraw/zinc/52/23/70/671522370.db2.gz DPGYOIPRLPBJLH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000827319523 671522371 /nfs/dbraw/zinc/52/23/71/671522371.db2.gz DPGYOIPRLPBJLH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000831127205 671654832 /nfs/dbraw/zinc/65/48/32/671654832.db2.gz GKCGWCOPMJVAKU-HZPDHXFCSA-N 1 3 318.421 0.808 20 0 DCADHO [NH3+]CCCCCCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000831290752 671663144 /nfs/dbraw/zinc/66/31/44/671663144.db2.gz GCWBDNKTHJHYMK-AWEZNQCLSA-N 1 3 300.447 0.652 20 0 DCADHO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914065752 1158465890 /nfs/dbraw/zinc/46/58/90/1158465890.db2.gz DSMXSWVPROAXNB-CABCVRRESA-N 1 3 315.483 0.686 20 0 DCADHO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914065752 1158465895 /nfs/dbraw/zinc/46/58/95/1158465895.db2.gz DSMXSWVPROAXNB-CABCVRRESA-N 1 3 315.483 0.686 20 0 DCADHO COCCN1CCC(NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891439272 685419347 /nfs/dbraw/zinc/41/93/47/685419347.db2.gz HFOMDCABJAPRJE-UHFFFAOYSA-N 1 3 310.442 0.763 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000953903345 685894444 /nfs/dbraw/zinc/89/44/44/685894444.db2.gz SONXYFKUTFEJRJ-HNNXBMFYSA-N 1 3 322.453 0.092 20 0 DCADHO O=C(NC[C@H]1CCN1CC1CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038534842 694109745 /nfs/dbraw/zinc/10/97/45/694109745.db2.gz HYFRRFWMWCKAJQ-GYMHETDLSA-N 1 3 305.422 0.450 20 0 DCADHO O=C(NC[C@H]1CCN1CC1CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038534842 694109749 /nfs/dbraw/zinc/10/97/49/694109749.db2.gz HYFRRFWMWCKAJQ-GYMHETDLSA-N 1 3 305.422 0.450 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959867859 688245030 /nfs/dbraw/zinc/24/50/30/688245030.db2.gz BDMVFRLAVZJZGR-KBXIAJHMSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959867859 688245032 /nfs/dbraw/zinc/24/50/32/688245032.db2.gz BDMVFRLAVZJZGR-KBXIAJHMSA-N 1 3 309.454 0.678 20 0 DCADHO CN1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)CN2CCCC2)C1=O ZINC000960215449 688326283 /nfs/dbraw/zinc/32/62/83/688326283.db2.gz HVJQSKHKLCNHIB-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961275264 688585528 /nfs/dbraw/zinc/58/55/28/688585528.db2.gz CIINCWVCBLALPX-AHRVAXILSA-N 1 3 323.412 0.256 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961275264 688585530 /nfs/dbraw/zinc/58/55/30/688585530.db2.gz CIINCWVCBLALPX-AHRVAXILSA-N 1 3 323.412 0.256 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961762243 688725378 /nfs/dbraw/zinc/72/53/78/688725378.db2.gz FTSMCZAKAVQYGE-VLXAULBPSA-N 1 3 313.417 0.238 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961762243 688725385 /nfs/dbraw/zinc/72/53/85/688725385.db2.gz FTSMCZAKAVQYGE-VLXAULBPSA-N 1 3 313.417 0.238 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cncn2C)C1 ZINC000962305358 688878343 /nfs/dbraw/zinc/87/83/43/688878343.db2.gz IRCVUXQZTGUEEE-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC000962305292 688878442 /nfs/dbraw/zinc/87/84/42/688878442.db2.gz IXYULTGJRVNHBA-LJIGWXMPSA-N 1 3 317.437 0.271 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC000962305292 688878445 /nfs/dbraw/zinc/87/84/45/688878445.db2.gz IXYULTGJRVNHBA-LJIGWXMPSA-N 1 3 317.437 0.271 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962730758 688972514 /nfs/dbraw/zinc/97/25/14/688972514.db2.gz PDPMTAWRPXBDSG-VZEFYGNVSA-N 1 3 317.433 0.789 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962730758 688972516 /nfs/dbraw/zinc/97/25/16/688972516.db2.gz PDPMTAWRPXBDSG-VZEFYGNVSA-N 1 3 317.433 0.789 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]C[C@H](C)O)C2 ZINC000965885674 689570550 /nfs/dbraw/zinc/57/05/50/689570550.db2.gz FQTREAXXEYMWSN-MAFMQUBESA-N 1 3 306.410 0.658 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000967925327 690124158 /nfs/dbraw/zinc/12/41/58/690124158.db2.gz NWODMSGTMONIJO-IAGOWNOFSA-N 1 3 317.433 0.964 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000968912363 690422669 /nfs/dbraw/zinc/42/26/69/690422669.db2.gz FWPOJEGSRIFLHI-CABCVRRESA-N 1 3 305.426 0.451 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC000969074612 690463571 /nfs/dbraw/zinc/46/35/71/690463571.db2.gz KZVVKRMBPKFJNY-UKRRQHHQSA-N 1 3 307.442 0.493 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000969074490 690463938 /nfs/dbraw/zinc/46/39/38/690463938.db2.gz GOLRSMDYBNXNBV-HUUCEWRRSA-N 1 3 320.437 0.416 20 0 DCADHO C[N@H+](C[C@H]1CCCN(C(=O)CN2CCCC2)C1)[C@H]1CCNC1=O ZINC001017259405 692875808 /nfs/dbraw/zinc/87/58/08/692875808.db2.gz DWRSYGYIFZSEKF-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN2CCCC2)C1)[C@H]1CCNC1=O ZINC001017259405 692875813 /nfs/dbraw/zinc/87/58/13/692875813.db2.gz DWRSYGYIFZSEKF-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001018836241 693256150 /nfs/dbraw/zinc/25/61/50/693256150.db2.gz XSDQRWBXZRMGDU-HOTGVXAUSA-N 1 3 319.453 0.983 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001018836241 693256152 /nfs/dbraw/zinc/25/61/52/693256152.db2.gz XSDQRWBXZRMGDU-HOTGVXAUSA-N 1 3 319.453 0.983 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001018938634 693289228 /nfs/dbraw/zinc/28/92/28/693289228.db2.gz WESJJYKRNGNLBM-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001018938634 693289230 /nfs/dbraw/zinc/28/92/30/693289230.db2.gz WESJJYKRNGNLBM-HOCLYGCPSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCc3cnn(C)c3)C2)CCC1 ZINC001018962879 693298383 /nfs/dbraw/zinc/29/83/83/693298383.db2.gz OQQISGKXEAJBTJ-HNNXBMFYSA-N 1 3 319.453 0.637 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001019383072 693456709 /nfs/dbraw/zinc/45/67/09/693456709.db2.gz VAYAORNBKUVOSM-CJNGLKHVSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001019383072 693456714 /nfs/dbraw/zinc/45/67/14/693456714.db2.gz VAYAORNBKUVOSM-CJNGLKHVSA-N 1 3 317.437 0.817 20 0 DCADHO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001019436039 693473297 /nfs/dbraw/zinc/47/32/97/693473297.db2.gz QSARHRLUIHKFQE-ZDUSSCGKSA-N 1 3 302.382 0.119 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1)C(N)=O ZINC001019518286 693505104 /nfs/dbraw/zinc/50/51/04/693505104.db2.gz HFMBTADCCWPSEI-WFASDCNBSA-N 1 3 318.421 0.426 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001019653946 693555279 /nfs/dbraw/zinc/55/52/79/693555279.db2.gz SPRUPKKIFFMMIE-HOCLYGCPSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001019653946 693555282 /nfs/dbraw/zinc/55/52/82/693555282.db2.gz SPRUPKKIFFMMIE-HOCLYGCPSA-N 1 3 317.437 0.817 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072677390 694651256 /nfs/dbraw/zinc/65/12/56/694651256.db2.gz OVXGXPJCMQZRIR-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO COC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072814343 694669615 /nfs/dbraw/zinc/66/96/15/694669615.db2.gz AMUNNVNIGYXDKZ-DZGCQCFKSA-N 1 3 309.454 0.896 20 0 DCADHO COC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001072814343 694669616 /nfs/dbraw/zinc/66/96/16/694669616.db2.gz AMUNNVNIGYXDKZ-DZGCQCFKSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(CCF)C3)C1 ZINC001072914067 694683507 /nfs/dbraw/zinc/68/35/07/694683507.db2.gz TXLRLYDGTBZVNH-CQSZACIVSA-N 1 3 313.417 0.599 20 0 DCADHO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCN(CCF)C3)C1 ZINC001072914067 694683509 /nfs/dbraw/zinc/68/35/09/694683509.db2.gz TXLRLYDGTBZVNH-CQSZACIVSA-N 1 3 313.417 0.599 20 0 DCADHO CO[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983424 694691409 /nfs/dbraw/zinc/69/14/09/694691409.db2.gz VZXVZBDIRCLYNR-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO CO[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983424 694691410 /nfs/dbraw/zinc/69/14/10/694691410.db2.gz VZXVZBDIRCLYNR-HUUCEWRRSA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001074755657 694920607 /nfs/dbraw/zinc/92/06/07/694920607.db2.gz QKVWTFBXFHSQEM-VDICGNNKSA-N 1 3 319.449 0.839 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cccn3)[C@@H]2C)C1 ZINC001074878292 694928063 /nfs/dbraw/zinc/92/80/63/694928063.db2.gz LICRUMNIHDWVCV-PMPSAXMXSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001074880540 694928267 /nfs/dbraw/zinc/92/82/67/694928267.db2.gz FXVFKIFGUISNJP-XEZPLFJOSA-N 1 3 315.433 0.770 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106997 694938438 /nfs/dbraw/zinc/93/84/38/694938438.db2.gz PVMUWUDVCCHYAK-YDHLFZDLSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001075106997 694938439 /nfs/dbraw/zinc/93/84/39/694938439.db2.gz PVMUWUDVCCHYAK-YDHLFZDLSA-N 1 3 305.426 0.451 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC001076567924 695028563 /nfs/dbraw/zinc/02/85/63/695028563.db2.gz MYNXLIGJLVYDTH-HRCADAONSA-N 1 3 317.437 0.368 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC001076567924 695028564 /nfs/dbraw/zinc/02/85/64/695028564.db2.gz MYNXLIGJLVYDTH-HRCADAONSA-N 1 3 317.437 0.368 20 0 DCADHO c1nnc([C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)n1C1CC1 ZINC001772532094 1157507333 /nfs/dbraw/zinc/50/73/33/1157507333.db2.gz QVSUCKXXVCSZBM-CQSZACIVSA-N 1 3 304.442 0.698 20 0 DCADHO CCN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)[C@H]1CCN(C)C1=O ZINC001752212546 1157887947 /nfs/dbraw/zinc/88/79/47/1157887947.db2.gz OFDGJWLKXHVSBR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)[C@H]1CCN(C)C1=O ZINC001752212546 1157887957 /nfs/dbraw/zinc/88/79/57/1157887957.db2.gz OFDGJWLKXHVSBR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCN(C)C1=O ZINC001752212546 1157887966 /nfs/dbraw/zinc/88/79/66/1157887966.db2.gz OFDGJWLKXHVSBR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCN(C)C1=O ZINC001752212546 1157887975 /nfs/dbraw/zinc/88/79/75/1157887975.db2.gz OFDGJWLKXHVSBR-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)ccc2NC1=O ZINC001648987289 1158271493 /nfs/dbraw/zinc/27/14/93/1158271493.db2.gz MLVGKTROSIMSGJ-NFAWXSAZSA-N 1 3 314.389 0.333 20 0 DCADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@@H](O)C[NH3+] ZINC001648992491 1158334188 /nfs/dbraw/zinc/33/41/88/1158334188.db2.gz ZJRKPYNQGCYUGO-MRXNPFEDSA-N 1 3 307.438 0.719 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)n[nH]1 ZINC001445971898 1159326518 /nfs/dbraw/zinc/32/65/18/1159326518.db2.gz UEBXTIJIVCLMLE-GWCFXTLKSA-N 1 3 308.430 0.610 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001446490760 1159432892 /nfs/dbraw/zinc/43/28/92/1159432892.db2.gz PYCQVJIRKOODBE-AWEZNQCLSA-N 1 3 322.453 0.365 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001449064440 1159740175 /nfs/dbraw/zinc/74/01/75/1159740175.db2.gz WNUTZDRNPNQOHQ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H](C)C(N)=O ZINC001566550185 1159830514 /nfs/dbraw/zinc/83/05/14/1159830514.db2.gz CSPHZDIIDMLNOC-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H](C)C(N)=O ZINC001566550185 1159830531 /nfs/dbraw/zinc/83/05/31/1159830531.db2.gz CSPHZDIIDMLNOC-ZIAGYGMSSA-N 1 3 312.458 0.561 20 0 DCADHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCN(C)C1=O ZINC001566563629 1160064023 /nfs/dbraw/zinc/06/40/23/1160064023.db2.gz BGHCYXNZEQJUOU-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568776115 1160768920 /nfs/dbraw/zinc/76/89/20/1160768920.db2.gz XNPCUNHIQXTFIJ-OAHLLOKOSA-N 1 3 316.421 0.122 20 0 DCADHO CCN(CCNCC(N)=O)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001568776115 1160768926 /nfs/dbraw/zinc/76/89/26/1160768926.db2.gz XNPCUNHIQXTFIJ-OAHLLOKOSA-N 1 3 316.421 0.122 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001568858360 1160822818 /nfs/dbraw/zinc/82/28/18/1160822818.db2.gz LYLOPIMAFFMIEE-JHZNUDOXSA-N 1 3 308.426 0.011 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCNC1=O ZINC001568858360 1160822828 /nfs/dbraw/zinc/82/28/28/1160822828.db2.gz LYLOPIMAFFMIEE-JHZNUDOXSA-N 1 3 308.426 0.011 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568865290 1160825863 /nfs/dbraw/zinc/82/58/63/1160825863.db2.gz AQOATUPGNYDTPJ-OOPLNXAUSA-N 1 3 310.442 0.257 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cn[nH]n2)C1 ZINC001575419521 1164008967 /nfs/dbraw/zinc/00/89/67/1164008967.db2.gz BMHAFWZQSTUVQI-HIFRSBDPSA-N 1 3 320.441 0.758 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cn[nH]n2)C1 ZINC001575419521 1164008974 /nfs/dbraw/zinc/00/89/74/1164008974.db2.gz BMHAFWZQSTUVQI-HIFRSBDPSA-N 1 3 320.441 0.758 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(CCc2cn[nH]n2)C[C@H]1C)[NH+](C)C ZINC001575441033 1164015172 /nfs/dbraw/zinc/01/51/72/1164015172.db2.gz MEODTHVQDFMIFI-YUELXQCFSA-N 1 3 322.457 0.370 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNC(=O)CN1CCC(C)(C)C1 ZINC001575625064 1164087452 /nfs/dbraw/zinc/08/74/52/1164087452.db2.gz IMNIWUZPYHZOKL-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNC(=O)CN1CCC(C)(C)C1 ZINC001575625064 1164087461 /nfs/dbraw/zinc/08/74/61/1164087461.db2.gz IMNIWUZPYHZOKL-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H](CNC(=O)N1CC[C@@H](CC[NH3+])C1)CN1CCN(C)CC1 ZINC001576016881 1164212515 /nfs/dbraw/zinc/21/25/15/1164212515.db2.gz GNLMGFGXQYRYRD-LSDHHAIUSA-N 1 3 311.474 0.250 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCN(C)C(=O)CC[NH+](C)C)C1 ZINC001577383336 1164681591 /nfs/dbraw/zinc/68/15/91/1164681591.db2.gz NXNGDIKIUNVPDD-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001577778126 1164790909 /nfs/dbraw/zinc/79/09/09/1164790909.db2.gz GDYWPPPSBBDVKG-QKPAOTATSA-N 1 3 308.470 0.232 20 0 DCADHO CCOC(=O)[C@H](CC1C[NH2+]C1)NC(=O)CN(C)CC(C)(C)C ZINC001577911132 1164835825 /nfs/dbraw/zinc/83/58/25/1164835825.db2.gz LZXYVQULYBHBHL-ZDUSSCGKSA-N 1 3 313.442 0.622 20 0 DCADHO CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC[NH3+] ZINC001578324451 1164974781 /nfs/dbraw/zinc/97/47/81/1164974781.db2.gz POZKVCNADDMOLR-CYBMUJFWSA-N 1 3 322.457 0.489 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001578418772 1165008723 /nfs/dbraw/zinc/00/87/23/1165008723.db2.gz HSNHFHRWMKVJOW-IUODEOHRSA-N 1 3 306.414 0.790 20 0 DCADHO CN(CCN1CC[NH2+]CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001578471982 1165027608 /nfs/dbraw/zinc/02/76/08/1165027608.db2.gz XJIJCVCSQCDJCM-UONOGXRCSA-N 1 3 301.406 0.457 20 0 DCADHO CN1C[C@H](NC(=O)C2([C@]3(O)CCC[NH2+]C3)CCC2)C(C)(C)C1 ZINC001578520615 1165041331 /nfs/dbraw/zinc/04/13/31/1165041331.db2.gz DRCOYEISVFWQQS-GUYCJALGSA-N 1 3 309.454 0.728 20 0 DCADHO C[NH+]1CCC(O)(CNC(=O)c2cc3c(s2)CNCC3)CC1 ZINC001578525214 1165042984 /nfs/dbraw/zinc/04/29/84/1165042984.db2.gz BFVVBMFIWYLMMR-UHFFFAOYSA-N 1 3 309.435 0.580 20 0 DCADHO CN1CCN(CCNC(=O)N2CC3(C2)CC[NH2+]CC3)CC1(C)C ZINC001578533682 1165049216 /nfs/dbraw/zinc/04/92/16/1165049216.db2.gz SLPHZUGZZLFBPQ-UHFFFAOYSA-N 1 3 323.485 0.407 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC001579273536 1165257800 /nfs/dbraw/zinc/25/78/00/1165257800.db2.gz WWPYOZAPNQGTET-MRXNPFEDSA-N 1 3 303.406 0.943 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC001579273536 1165257809 /nfs/dbraw/zinc/25/78/09/1165257809.db2.gz WWPYOZAPNQGTET-MRXNPFEDSA-N 1 3 303.406 0.943 20 0 DCADHO CS(=O)(=O)NC[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001579345743 1165281008 /nfs/dbraw/zinc/28/10/08/1165281008.db2.gz DQALRRIGISSNCQ-CQSZACIVSA-N 1 3 323.462 0.703 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC001579827633 1165405030 /nfs/dbraw/zinc/40/50/30/1165405030.db2.gz MIDVDXJRLOWBPF-MJBXVCDLSA-N 1 3 305.426 0.938 20 0 DCADHO C[NH+]1CCC(O)(C[NH2+]Cc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001591180666 1167132651 /nfs/dbraw/zinc/13/26/51/1167132651.db2.gz OWMSXGSHAIKPNL-UHFFFAOYSA-N 1 3 320.372 0.552 20 0 DCADHO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603663019 1169346849 /nfs/dbraw/zinc/34/68/49/1169346849.db2.gz RVYWWHBZJBESPJ-GFCCVEGCSA-N 1 3 301.398 0.423 20 0 DCADHO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603663019 1169346855 /nfs/dbraw/zinc/34/68/55/1169346855.db2.gz RVYWWHBZJBESPJ-GFCCVEGCSA-N 1 3 301.398 0.423 20 0 DCADHO c1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(-c2nn[n-]n2)c1 ZINC001607117993 1170402999 /nfs/dbraw/zinc/40/29/99/1170402999.db2.gz NCPFGKBIAAVXOB-HNNXBMFYSA-N 1 3 313.409 0.346 20 0 DCADHO c1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(-c2nn[n-]n2)c1 ZINC001607117993 1170403001 /nfs/dbraw/zinc/40/30/01/1170403001.db2.gz NCPFGKBIAAVXOB-HNNXBMFYSA-N 1 3 313.409 0.346 20 0 DCADHO C[C@@H](N)C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC001647241536 1172758897 /nfs/dbraw/zinc/75/88/97/1172758897.db2.gz AQHJLBBZWBNSOS-CYBMUJFWSA-N 1 3 324.469 0.515 20 0 DCADHO CC1(C)CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@H]1[NH3+] ZINC001647577440 1172979889 /nfs/dbraw/zinc/97/98/89/1172979889.db2.gz XFXPEGGLINPJQW-KBPBESRZSA-N 1 3 310.442 0.618 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001649282432 1173086206 /nfs/dbraw/zinc/08/62/06/1173086206.db2.gz MHLVSEUSNPJTNA-OCCSQVGLSA-N 1 3 308.430 0.125 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001649282432 1173086212 /nfs/dbraw/zinc/08/62/12/1173086212.db2.gz MHLVSEUSNPJTNA-OCCSQVGLSA-N 1 3 308.430 0.125 20 0 DCADHO CN1CCC(O)(C[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC001650158275 1173488163 /nfs/dbraw/zinc/48/81/63/1173488163.db2.gz GIAOJDLVGYTOKT-CQSZACIVSA-N 1 3 300.443 0.479 20 0 DCADHO CC(C)(O)[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001650336314 1173574472 /nfs/dbraw/zinc/57/44/72/1173574472.db2.gz XIXNOTJXXRGGRR-OAHLLOKOSA-N 1 3 305.422 0.997 20 0 DCADHO [NH3+]CCc1cnc2c(C(=O)N[C@@H]3CCN(C4CC4)C3)cnn2c1 ZINC001650336917 1173574928 /nfs/dbraw/zinc/57/49/28/1173574928.db2.gz OZYOGRIHSSBZBP-GFCCVEGCSA-N 1 3 314.393 0.197 20 0 DCADHO [NH3+]CCc1cnc2c(C(=O)N[C@H]3CCN(C4CC4)C3)cnn2c1 ZINC001650336918 1173575209 /nfs/dbraw/zinc/57/52/09/1173575209.db2.gz OZYOGRIHSSBZBP-LBPRGKRZSA-N 1 3 314.393 0.197 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cnccn1 ZINC001650541560 1173678315 /nfs/dbraw/zinc/67/83/15/1173678315.db2.gz DTBCWALLTYSLJM-ZDUSSCGKSA-N 1 3 308.430 0.548 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cnccn1 ZINC001650541560 1173678318 /nfs/dbraw/zinc/67/83/18/1173678318.db2.gz DTBCWALLTYSLJM-ZDUSSCGKSA-N 1 3 308.430 0.548 20 0 DCADHO C[C@@H]([NH2+]CCCO)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001664457868 1174433849 /nfs/dbraw/zinc/43/38/49/1174433849.db2.gz VMXCEBYTUZFELV-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(CC[NH2+]CCO[C@@H]1CC1(F)F)C(=O)[C@H]1CCCN1C ZINC001668521823 1174805012 /nfs/dbraw/zinc/80/50/12/1174805012.db2.gz XPAVPAPOLDUUBW-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]CC[C@H]1CCOC1 ZINC001669162720 1174902255 /nfs/dbraw/zinc/90/22/55/1174902255.db2.gz QISUNKQLSDEJBF-SFAKSCPVSA-N 1 3 306.410 0.949 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001670357452 1175006535 /nfs/dbraw/zinc/00/65/35/1175006535.db2.gz GLVCAPRHHUVDLL-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001689338888 1176832572 /nfs/dbraw/zinc/83/25/72/1176832572.db2.gz FZIIZUZHEFVQQJ-XYBNCVKDSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001689338888 1176832578 /nfs/dbraw/zinc/83/25/78/1176832578.db2.gz FZIIZUZHEFVQQJ-XYBNCVKDSA-N 1 3 322.453 0.213 20 0 DCADHO CC[C@H](C(N)=O)N(CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001689932730 1177117875 /nfs/dbraw/zinc/11/78/75/1177117875.db2.gz LWMJDMCCWMGYAQ-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN(CC)[C@H]1CCNC1=O ZINC001689936482 1177117982 /nfs/dbraw/zinc/11/79/82/1177117982.db2.gz QXPXJBHETIUKIW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN(CC)[C@H]1CCNC1=O ZINC001689936482 1177117986 /nfs/dbraw/zinc/11/79/86/1177117986.db2.gz QXPXJBHETIUKIW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CC[C@@H](N(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)C1=O ZINC001690014504 1177143064 /nfs/dbraw/zinc/14/30/64/1177143064.db2.gz GBHIYRGJHSYDHE-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CN1CC[C@@H](N(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)C1=O ZINC001690014504 1177143068 /nfs/dbraw/zinc/14/30/68/1177143068.db2.gz GBHIYRGJHSYDHE-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCC[C@H]2CCCN2CC(N)=O)CC1 ZINC001690908533 1177347434 /nfs/dbraw/zinc/34/74/34/1177347434.db2.gz ZNDJNFXQYWJMIC-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO COc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCN2C)n1 ZINC001699123398 1177876213 /nfs/dbraw/zinc/87/62/13/1177876213.db2.gz CCJPNSHYZNFRDY-TZMCWYRMSA-N 1 3 321.425 0.564 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1C ZINC001699166358 1177904602 /nfs/dbraw/zinc/90/46/02/1177904602.db2.gz UJWCLOGXCKSMOT-GXTWGEPZSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1C ZINC001699166358 1177904605 /nfs/dbraw/zinc/90/46/05/1177904605.db2.gz UJWCLOGXCKSMOT-GXTWGEPZSA-N 1 3 307.442 0.665 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699506666 1178172187 /nfs/dbraw/zinc/17/21/87/1178172187.db2.gz IEPJRILGIJJYLJ-INIZCTEOSA-N 1 3 319.453 0.700 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001699763440 1178279553 /nfs/dbraw/zinc/27/95/53/1178279553.db2.gz XVEUZWCZZZEGRQ-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)NCCCN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001703604969 1179612826 /nfs/dbraw/zinc/61/28/26/1179612826.db2.gz DKTFWPZVNKBRBM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001720135667 1180538282 /nfs/dbraw/zinc/53/82/82/1180538282.db2.gz IWFOCCMXMQTHJM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001720135667 1180538303 /nfs/dbraw/zinc/53/83/03/1180538303.db2.gz IWFOCCMXMQTHJM-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001720137076 1180539959 /nfs/dbraw/zinc/53/99/59/1180539959.db2.gz GIOWLLOWHWCVPF-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001720137076 1180539965 /nfs/dbraw/zinc/53/99/65/1180539965.db2.gz GIOWLLOWHWCVPF-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N1CCC1 ZINC001713694940 1181019487 /nfs/dbraw/zinc/01/94/87/1181019487.db2.gz AFUPYMJLODHELZ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N1CCC1 ZINC001713694940 1181019494 /nfs/dbraw/zinc/01/94/94/1181019494.db2.gz AFUPYMJLODHELZ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCOCC(F)F)C1 ZINC001713936428 1181158934 /nfs/dbraw/zinc/15/89/34/1181158934.db2.gz CUHVZWDYVXLBKJ-LBPRGKRZSA-N 1 3 305.369 0.554 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]CCOCC(F)F)C1 ZINC001714382047 1181344703 /nfs/dbraw/zinc/34/47/03/1181344703.db2.gz JWVKJOXVLMLBHD-ZDUSSCGKSA-N 1 3 319.396 0.802 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCOC[C@H]1CCCO1 ZINC001714572531 1181423468 /nfs/dbraw/zinc/42/34/68/1181423468.db2.gz DERACHTYFJBSGM-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCOC[C@H]1CCCO1 ZINC001714572531 1181423473 /nfs/dbraw/zinc/42/34/73/1181423473.db2.gz DERACHTYFJBSGM-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCn1cncn1 ZINC001714797640 1181553015 /nfs/dbraw/zinc/55/30/15/1181553015.db2.gz LZAYBVVMSMZMQB-AWEZNQCLSA-N 1 3 308.430 0.201 20 0 DCADHO C[C@@H](C[NH2+]CCOCC(F)(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001715366893 1181791707 /nfs/dbraw/zinc/79/17/07/1181791707.db2.gz INMNJMHNZPGYEY-JTQLQIEISA-N 1 3 322.331 0.968 20 0 DCADHO Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCN2C)cn1 ZINC001715630711 1181908784 /nfs/dbraw/zinc/90/87/84/1181908784.db2.gz JYMNRUOCWQRYEK-DOMZBBRYSA-N 1 3 305.426 0.864 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001715683230 1181940530 /nfs/dbraw/zinc/94/05/30/1181940530.db2.gz NCMGEJGOADCCEH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715756647 1181979578 /nfs/dbraw/zinc/97/95/78/1181979578.db2.gz GNANQEOCAZQWRB-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(C)C(=O)CNCCN(CC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715756647 1181979589 /nfs/dbraw/zinc/97/95/89/1181979589.db2.gz GNANQEOCAZQWRB-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001715913246 1182097500 /nfs/dbraw/zinc/09/75/00/1182097500.db2.gz OAQDOZNNCWYYGE-AATRIKPKSA-N 1 3 320.437 0.488 20 0 DCADHO CCCCNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001715993358 1182135700 /nfs/dbraw/zinc/13/57/00/1182135700.db2.gz OANWVNSCJAWQOF-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001716339344 1182344532 /nfs/dbraw/zinc/34/45/32/1182344532.db2.gz DBFLZNUAAVVRNO-GWJCSSMESA-N 1 3 312.458 0.503 20 0 DCADHO COCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001716774441 1182520495 /nfs/dbraw/zinc/52/04/95/1182520495.db2.gz NKSVSUNDNWKKBD-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001717692205 1182955097 /nfs/dbraw/zinc/95/50/97/1182955097.db2.gz RMECEYYCZPBBES-CYBMUJFWSA-N 1 3 320.441 0.285 20 0 DCADHO CCN(CC)CC(=O)NCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001720283563 1183549043 /nfs/dbraw/zinc/54/90/43/1183549043.db2.gz VOSAYDPIXZXHAT-HNNXBMFYSA-N 1 3 324.469 0.293 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CCn1cccn1)C1CC1 ZINC001723351767 1184290145 /nfs/dbraw/zinc/29/01/45/1184290145.db2.gz UVHHJGZBVBCGHY-HNNXBMFYSA-N 1 3 316.409 0.642 20 0 DCADHO CCOCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001724819045 1184573568 /nfs/dbraw/zinc/57/35/68/1184573568.db2.gz HSDIZBAFPPNGKJ-AWEZNQCLSA-N 1 3 310.398 0.196 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCOCC2CC2)CN1C(=O)Cc1c[nH]cn1 ZINC001725597335 1184904603 /nfs/dbraw/zinc/90/46/03/1184904603.db2.gz HXGDJWLLYMUCGR-IUODEOHRSA-N 1 3 306.410 0.958 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731757350 1185472690 /nfs/dbraw/zinc/47/26/90/1185472690.db2.gz IBNPYPWXCPSREN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001731757350 1185472706 /nfs/dbraw/zinc/47/27/06/1185472706.db2.gz IBNPYPWXCPSREN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[NH2+]CCN1CCCC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001732424773 1185811744 /nfs/dbraw/zinc/81/17/44/1185811744.db2.gz JLOMMQKVDGDMEX-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)N(C)C ZINC001733145538 1186161663 /nfs/dbraw/zinc/16/16/63/1186161663.db2.gz SFCNESBOEVJXPR-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001736764708 1187094433 /nfs/dbraw/zinc/09/44/33/1187094433.db2.gz RPARBFCQTDDZJP-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001736764708 1187094439 /nfs/dbraw/zinc/09/44/39/1187094439.db2.gz RPARBFCQTDDZJP-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)NCCCN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001737218148 1187288835 /nfs/dbraw/zinc/28/88/35/1187288835.db2.gz DKTFWPZVNKBRBM-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001738527552 1187584124 /nfs/dbraw/zinc/58/41/24/1187584124.db2.gz JOHKLFMGUIVABJ-IYKSTZQJSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001738527552 1187584129 /nfs/dbraw/zinc/58/41/29/1187584129.db2.gz JOHKLFMGUIVABJ-IYKSTZQJSA-N 1 3 324.469 0.457 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCOCC(F)F)C2)CCC1 ZINC001752733402 1188436314 /nfs/dbraw/zinc/43/63/14/1188436314.db2.gz QIQBYVTWZPEWND-TXEJJXNPSA-N 1 3 319.396 0.989 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001752808195 1188444412 /nfs/dbraw/zinc/44/44/12/1188444412.db2.gz WGQPWQUXOVBALD-ZDUSSCGKSA-N 1 3 317.397 0.072 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001753264368 1188553525 /nfs/dbraw/zinc/55/35/25/1188553525.db2.gz PNHINXLUTNLRHD-GASCZTMLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001753264368 1188553527 /nfs/dbraw/zinc/55/35/27/1188553527.db2.gz PNHINXLUTNLRHD-GASCZTMLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@H]1CCCN(C)C1=O ZINC001754416523 1188850209 /nfs/dbraw/zinc/85/02/09/1188850209.db2.gz PIZFTAXRCRROMU-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCOCCO ZINC001754467428 1188858589 /nfs/dbraw/zinc/85/85/89/1188858589.db2.gz NMMVKUYLQXBMLZ-HIFRSBDPSA-N 1 3 324.425 0.178 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001754945466 1188978470 /nfs/dbraw/zinc/97/84/70/1188978470.db2.gz YQAZWHFNQDYLQM-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)N1CCC[C@](CO)([NH2+]CCCF)C1)C1CCC1 ZINC001755085483 1189016981 /nfs/dbraw/zinc/01/69/81/1189016981.db2.gz HIHMIYFNEAGVRX-INIZCTEOSA-N 1 3 315.433 0.773 20 0 DCADHO CN(C[C@H](O)CNC/C=C\Cl)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755779675 1189209604 /nfs/dbraw/zinc/20/96/04/1189209604.db2.gz NZOJGFAJRBVHPT-HJHBSRAZSA-N 1 3 315.845 0.490 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001758032064 1189689393 /nfs/dbraw/zinc/68/93/93/1189689393.db2.gz KDKZYBVGWQFMNH-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)NCCNC(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC001758041627 1189694836 /nfs/dbraw/zinc/69/48/36/1189694836.db2.gz GNIWVYRZBJJROQ-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C/CNC(=O)CN1CCC(C)(C)C1 ZINC001759752835 1190289993 /nfs/dbraw/zinc/28/99/93/1190289993.db2.gz FNIHLLMZNWCXCH-AATRIKPKSA-N 1 3 324.469 0.459 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001771744995 1190487206 /nfs/dbraw/zinc/48/72/06/1190487206.db2.gz NGSPCHATVMJDPN-LOWVWBTDSA-N 1 3 309.418 0.209 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC001772063036 1190602188 /nfs/dbraw/zinc/60/21/88/1190602188.db2.gz IULBHQSDDAEMAG-CYBMUJFWSA-N 1 3 311.474 0.391 20 0 DCADHO CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001772220780 1190633328 /nfs/dbraw/zinc/63/33/28/1190633328.db2.gz XNXBNMMIOYAAJM-UONOGXRCSA-N 1 3 322.478 0.905 20 0 DCADHO [NH3+][C@@H]1CCCn2nc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cc21 ZINC001772222433 1190633906 /nfs/dbraw/zinc/63/39/06/1190633906.db2.gz MADNBHWDZHOFHH-JHJVBQTASA-N 1 3 319.409 0.270 20 0 DCADHO C[C@H]1NCCN(C(=O)c2cnn3cc(CC[NH3+])cnc23)[C@@H]1C ZINC001772227251 1190636502 /nfs/dbraw/zinc/63/65/02/1190636502.db2.gz QWHTUKFIVHGBQX-GHMZBOCLSA-N 1 3 302.382 0.053 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccccc1C[NH3+] ZINC001772233744 1190638386 /nfs/dbraw/zinc/63/83/86/1190638386.db2.gz JWNVUMABEMNKHY-UHFFFAOYSA-N 1 3 304.438 0.855 20 0 DCADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001772315296 1190661525 /nfs/dbraw/zinc/66/15/25/1190661525.db2.gz FDLMDXVGKOHCLH-XLMAVXFVSA-N 1 3 321.465 0.966 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659471 751609343 /nfs/dbraw/zinc/60/93/43/751609343.db2.gz CDSBXPQCVPGQRC-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659471 751609347 /nfs/dbraw/zinc/60/93/47/751609347.db2.gz CDSBXPQCVPGQRC-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC(C)C)CC[N@@H+]1C ZINC001127701155 751644379 /nfs/dbraw/zinc/64/43/79/751644379.db2.gz KVFYPCFBRDPGKI-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC(C)C)CC[N@H+]1C ZINC001127701155 751644385 /nfs/dbraw/zinc/64/43/85/751644385.db2.gz KVFYPCFBRDPGKI-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO COc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1C ZINC001238878348 752045571 /nfs/dbraw/zinc/04/55/71/752045571.db2.gz DACRAEUPIFMVKL-UHFFFAOYSA-N 1 3 315.439 0.610 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779645 752065251 /nfs/dbraw/zinc/06/52/51/752065251.db2.gz PFYARSGZHUDFMQ-HOTGVXAUSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1ccncc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779645 752065257 /nfs/dbraw/zinc/06/52/57/752065257.db2.gz PFYARSGZHUDFMQ-HOTGVXAUSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001149131012 746956778 /nfs/dbraw/zinc/95/67/78/746956778.db2.gz SGMMRCXKBIHVKY-ZDUSSCGKSA-N 1 3 310.398 0.162 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC2CCCC2)C1 ZINC001209444377 746998805 /nfs/dbraw/zinc/99/88/05/746998805.db2.gz GCVAWBBEONUOJH-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001167224488 747025373 /nfs/dbraw/zinc/02/53/73/747025373.db2.gz KXVMFUTZPJLWDL-UONOGXRCSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC(=O)N(C)C)CC2)C1 ZINC001167232619 747031519 /nfs/dbraw/zinc/03/15/19/747031519.db2.gz KFTGBQDELFGBFN-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CN1CC[C@H](Nc2ccc(C(=O)NC3CC[NH+](C)CC3)nn2)C1 ZINC001167275156 747050210 /nfs/dbraw/zinc/05/02/10/747050210.db2.gz HMCITTQFPRBKOK-ZDUSSCGKSA-N 1 3 318.425 0.417 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001104294292 747135678 /nfs/dbraw/zinc/13/56/78/747135678.db2.gz IAOCYGHDRKQAHB-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001104347393 747246119 /nfs/dbraw/zinc/24/61/19/747246119.db2.gz XYCHGLFWEBINJE-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001067462562 747537546 /nfs/dbraw/zinc/53/75/46/747537546.db2.gz LXEYYYJIYPZWNV-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001067462562 747537551 /nfs/dbraw/zinc/53/75/51/747537551.db2.gz LXEYYYJIYPZWNV-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001087259585 747573777 /nfs/dbraw/zinc/57/37/77/747573777.db2.gz VQRQYBRPEJSGGF-UHFFFAOYSA-N 1 3 321.425 0.638 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001087261526 747581155 /nfs/dbraw/zinc/58/11/55/747581155.db2.gz MZIFLYXMNWCPRA-UHFFFAOYSA-N 1 3 319.409 0.392 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104832885 747949941 /nfs/dbraw/zinc/94/99/41/747949941.db2.gz ZBEWTEBWDCUJOP-HUUCEWRRSA-N 1 3 324.469 0.278 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)NC(C)C)CC1 ZINC001203456243 752239339 /nfs/dbraw/zinc/23/93/39/752239339.db2.gz TVYONROFLYIURA-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC001203437987 748903733 /nfs/dbraw/zinc/90/37/33/748903733.db2.gz YWKFNOKAKJORMQ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1)C1CC1 ZINC001087993633 749180080 /nfs/dbraw/zinc/18/00/80/749180080.db2.gz WLHNIGVLNJOONW-PMPSAXMXSA-N 1 3 309.454 0.489 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1)C1CC1 ZINC001087993633 749180085 /nfs/dbraw/zinc/18/00/85/749180085.db2.gz WLHNIGVLNJOONW-PMPSAXMXSA-N 1 3 309.454 0.489 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001086558624 761931310 /nfs/dbraw/zinc/93/13/10/761931310.db2.gz GBCCUUQPQMVKJW-AJNGGQMLSA-N 1 3 324.469 0.609 20 0 DCADHO CCCCNCc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098722877 749279623 /nfs/dbraw/zinc/27/96/23/749279623.db2.gz QJFAXDUGRHGYCD-OAHLLOKOSA-N 1 3 322.457 0.893 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CN1CCO ZINC001071599959 761983727 /nfs/dbraw/zinc/98/37/27/761983727.db2.gz BXYKRBBOFMYBJX-LSDHHAIUSA-N 1 3 309.454 0.824 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168335236 749920952 /nfs/dbraw/zinc/92/09/52/749920952.db2.gz CNXMVVQUDZAWSL-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001168346158 749926928 /nfs/dbraw/zinc/92/69/28/749926928.db2.gz VAZOYFHQERZWNF-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CN1CCCO ZINC001071646494 762019194 /nfs/dbraw/zinc/01/91/94/762019194.db2.gz ZMFWEZNCJFWEMT-LSDHHAIUSA-N 1 3 309.454 0.966 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077282250 750315883 /nfs/dbraw/zinc/31/58/83/750315883.db2.gz RGJBWLFDLJVRLK-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077282250 750315892 /nfs/dbraw/zinc/31/58/92/750315892.db2.gz RGJBWLFDLJVRLK-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1O ZINC001077282250 750315899 /nfs/dbraw/zinc/31/58/99/750315899.db2.gz RGJBWLFDLJVRLK-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001077282250 750315908 /nfs/dbraw/zinc/31/59/08/750315908.db2.gz RGJBWLFDLJVRLK-BZUAXINKSA-N 1 3 311.470 0.924 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCn1cccn1 ZINC001089038527 750773358 /nfs/dbraw/zinc/77/33/58/750773358.db2.gz AHZOPFJCWXVLCP-KFWWJZLASA-N 1 3 305.426 0.414 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCn1cccn1 ZINC001089038527 750773361 /nfs/dbraw/zinc/77/33/61/750773361.db2.gz AHZOPFJCWXVLCP-KFWWJZLASA-N 1 3 305.426 0.414 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256547 750945871 /nfs/dbraw/zinc/94/58/71/750945871.db2.gz OXMOZTSFHDAQCV-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256547 750945873 /nfs/dbraw/zinc/94/58/73/750945873.db2.gz OXMOZTSFHDAQCV-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001106246286 751062648 /nfs/dbraw/zinc/06/26/48/751062648.db2.gz KOKNQGUXXLIEQT-JHJVBQTASA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)COC)[C@H](C)C1)N(C)C ZINC001106673629 751223082 /nfs/dbraw/zinc/22/30/82/751223082.db2.gz JIJJLJYLVWVCTE-TUVASFSCSA-N 1 3 315.458 0.018 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](CNCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106840022 751308753 /nfs/dbraw/zinc/30/87/53/751308753.db2.gz UPQPESCYUKSPJQ-TZMCWYRMSA-N 1 3 322.457 0.639 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](CNCc2nnc(C)[nH]2)[C@H](C)C1 ZINC001106840022 751308758 /nfs/dbraw/zinc/30/87/58/751308758.db2.gz UPQPESCYUKSPJQ-TZMCWYRMSA-N 1 3 322.457 0.639 20 0 DCADHO C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078018170 752984861 /nfs/dbraw/zinc/98/48/61/752984861.db2.gz RIRZTTJCKMGWSH-UXIGCNINSA-N 1 3 324.400 0.671 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)CC[N@H+](C)CC ZINC001078395604 753220046 /nfs/dbraw/zinc/22/00/46/753220046.db2.gz KXESAJQJQNBHIM-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)CC[N@@H+](C)CC ZINC001078395604 753220050 /nfs/dbraw/zinc/22/00/50/753220050.db2.gz KXESAJQJQNBHIM-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)N2CCO ZINC001045819822 753342961 /nfs/dbraw/zinc/34/29/61/753342961.db2.gz FKZBHRWLUUEJBR-IXDOHACOSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045819822 753342967 /nfs/dbraw/zinc/34/29/67/753342967.db2.gz FKZBHRWLUUEJBR-IXDOHACOSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045819822 753342971 /nfs/dbraw/zinc/34/29/71/753342971.db2.gz FKZBHRWLUUEJBR-IXDOHACOSA-N 1 3 321.465 0.918 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001046065558 753459182 /nfs/dbraw/zinc/45/91/82/753459182.db2.gz AYZGEIKMHRGNKX-HNNXBMFYSA-N 1 3 323.416 0.530 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCN([C@H]2CC[N@H+](CCCF)C2)CC1 ZINC001046065558 753459185 /nfs/dbraw/zinc/45/91/85/753459185.db2.gz AYZGEIKMHRGNKX-HNNXBMFYSA-N 1 3 323.416 0.530 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@]2(C)CCN(CCCO)C2)n1 ZINC001046326593 753646744 /nfs/dbraw/zinc/64/67/44/753646744.db2.gz RQLJNDHRVPKCFL-INIZCTEOSA-N 1 3 323.441 0.021 20 0 DCADHO CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CN(Cc2ccccc2)C[C@@H]1O ZINC001047324196 754187605 /nfs/dbraw/zinc/18/76/05/754187605.db2.gz LIHXGDYXHLAJNX-IKGGRYGDSA-N 1 3 317.433 0.784 20 0 DCADHO CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CN(Cc2ccccc2)C[C@@H]1O ZINC001047324196 754187608 /nfs/dbraw/zinc/18/76/08/754187608.db2.gz LIHXGDYXHLAJNX-IKGGRYGDSA-N 1 3 317.433 0.784 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(CC)CC ZINC001128774421 754267040 /nfs/dbraw/zinc/26/70/40/754267040.db2.gz SKROSZGCLSRDLZ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N(CC)CC ZINC001128774421 754267043 /nfs/dbraw/zinc/26/70/43/754267043.db2.gz SKROSZGCLSRDLZ-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864590 754457566 /nfs/dbraw/zinc/45/75/66/754457566.db2.gz WYHUSWKOPMAXKF-CVEARBPZSA-N 1 3 305.422 0.932 20 0 DCADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063711 754597977 /nfs/dbraw/zinc/59/79/77/754597977.db2.gz FODCWXHNIGFHNW-GDBMZVCRSA-N 1 3 319.453 0.843 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863566 754984972 /nfs/dbraw/zinc/98/49/72/754984972.db2.gz HJAOFNSRGGDKOH-DMRZNYOFSA-N 1 3 309.454 0.752 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863566 754984976 /nfs/dbraw/zinc/98/49/76/754984976.db2.gz HJAOFNSRGGDKOH-DMRZNYOFSA-N 1 3 309.454 0.752 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1)C1CC1 ZINC001048864391 754986710 /nfs/dbraw/zinc/98/67/10/754986710.db2.gz XQBHAGRZDLDSGN-SIXLDLHFSA-N 1 3 321.465 0.753 20 0 DCADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1)C1CC1 ZINC001048864391 754986714 /nfs/dbraw/zinc/98/67/14/754986714.db2.gz XQBHAGRZDLDSGN-SIXLDLHFSA-N 1 3 321.465 0.753 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038718 755087173 /nfs/dbraw/zinc/08/71/73/755087173.db2.gz LMPLCKHAMLOMGB-CAOSSQGBSA-N 1 3 311.470 0.998 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001049038718 755087180 /nfs/dbraw/zinc/08/71/80/755087180.db2.gz LMPLCKHAMLOMGB-CAOSSQGBSA-N 1 3 311.470 0.998 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058837 755095385 /nfs/dbraw/zinc/09/53/85/755095385.db2.gz IYZSDUUZQNJZST-XUWVNRHRSA-N 1 3 309.454 0.753 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058837 755095389 /nfs/dbraw/zinc/09/53/89/755095389.db2.gz IYZSDUUZQNJZST-XUWVNRHRSA-N 1 3 309.454 0.753 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)COCC(C)C ZINC001168763276 755134966 /nfs/dbraw/zinc/13/49/66/755134966.db2.gz MVBKLYXUILHSLH-HNNXBMFYSA-N 1 3 317.474 0.458 20 0 DCADHO CN(C)C1(C(=O)NCC2(NC(=O)CC[NH+](C)C)CCC2)CCC1 ZINC001063362368 755161605 /nfs/dbraw/zinc/16/16/05/755161605.db2.gz PYRKIALKGLEYEQ-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001168763545 755190726 /nfs/dbraw/zinc/19/07/26/755190726.db2.gz PKZZIXNMSWKBNR-HNNXBMFYSA-N 1 3 315.458 0.620 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049233390 755196504 /nfs/dbraw/zinc/19/65/04/755196504.db2.gz NRJNQLAWVYOCTK-JONQDZQNSA-N 1 3 309.454 0.632 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049233390 755196508 /nfs/dbraw/zinc/19/65/08/755196508.db2.gz NRJNQLAWVYOCTK-JONQDZQNSA-N 1 3 309.454 0.632 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1 ZINC001063864493 755275912 /nfs/dbraw/zinc/27/59/12/755275912.db2.gz ZWKKUUYVXCMWIE-UHFFFAOYSA-N 1 3 321.425 0.367 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049506606 755288605 /nfs/dbraw/zinc/28/86/05/755288605.db2.gz ZHAFYQWAUBPFTG-ARFHVFGLSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049506606 755288608 /nfs/dbraw/zinc/28/86/08/755288608.db2.gz ZHAFYQWAUBPFTG-ARFHVFGLSA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2CCO ZINC001049506606 755288612 /nfs/dbraw/zinc/28/86/12/755288612.db2.gz ZHAFYQWAUBPFTG-ARFHVFGLSA-N 1 3 309.454 0.918 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2CCO ZINC001049506606 755288617 /nfs/dbraw/zinc/28/86/17/755288617.db2.gz ZHAFYQWAUBPFTG-ARFHVFGLSA-N 1 3 309.454 0.918 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072151391 762386116 /nfs/dbraw/zinc/38/61/16/762386116.db2.gz BDSDYXTZDDVLQA-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001097079734 755592642 /nfs/dbraw/zinc/59/26/42/755592642.db2.gz OGFPGHFBNSLSAI-FPCVCCKLSA-N 1 3 307.438 0.432 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC001054734547 756620910 /nfs/dbraw/zinc/62/09/10/756620910.db2.gz FYWLUIXOWMWZNZ-ZFWWWQNUSA-N 1 3 319.453 0.841 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672729 756751182 /nfs/dbraw/zinc/75/11/82/756751182.db2.gz HUZUEXAHPVAXEO-ARFHVFGLSA-N 1 3 309.454 0.944 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1OC ZINC001082384915 757093100 /nfs/dbraw/zinc/09/31/00/757093100.db2.gz QMDYGZIVCVYTDE-QLFBSQMISA-N 1 3 313.442 0.059 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1OC ZINC001082384915 757093109 /nfs/dbraw/zinc/09/31/09/757093109.db2.gz QMDYGZIVCVYTDE-QLFBSQMISA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC001082766909 757261080 /nfs/dbraw/zinc/26/10/80/757261080.db2.gz HTFKIXZFBXOCGY-BPLDGKMQSA-N 1 3 306.410 0.958 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CCCO)CC2)C1CC1 ZINC001050544727 757822862 /nfs/dbraw/zinc/82/28/62/757822862.db2.gz VHJHWPRKBDBXFH-OAHLLOKOSA-N 1 3 309.454 0.633 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@H]1O ZINC001099985585 759087217 /nfs/dbraw/zinc/08/72/17/759087217.db2.gz DUNZXHFHMYWXHP-SJORKVTESA-N 1 3 319.449 0.732 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091666932 767860889 /nfs/dbraw/zinc/86/08/89/767860889.db2.gz LHFLOTXLUIVSLT-INMHGKMJSA-N 1 3 309.454 0.632 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001091666932 767860897 /nfs/dbraw/zinc/86/08/97/767860897.db2.gz LHFLOTXLUIVSLT-INMHGKMJSA-N 1 3 309.454 0.632 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001129327003 759784801 /nfs/dbraw/zinc/78/48/01/759784801.db2.gz DHNKNEBGQRCURG-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001129327003 759784805 /nfs/dbraw/zinc/78/48/05/759784805.db2.gz DHNKNEBGQRCURG-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+](C)CCC(=O)N1CC2(C1)CCN(CCN1CCCC1=O)C2 ZINC001148215614 767938357 /nfs/dbraw/zinc/93/83/57/767938357.db2.gz CZOHDGAHSIFKDN-UHFFFAOYSA-N 1 3 322.453 0.095 20 0 DCADHO Cc1ncn(-c2ncnc3c2CNCC3)c1CSCC[NH3+] ZINC001168783197 760406366 /nfs/dbraw/zinc/40/63/66/760406366.db2.gz DNGSVOSYKRILTE-UHFFFAOYSA-N 1 3 304.423 0.808 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001100124576 760440850 /nfs/dbraw/zinc/44/08/50/760440850.db2.gz KKZIRUGJGCVYOR-CABCVRRESA-N 1 3 315.433 0.773 20 0 DCADHO [NH3+]Cc1cccc(-c2nnn(-c3ccc4c(n3)OCCNC4)n2)c1 ZINC001168877700 760494573 /nfs/dbraw/zinc/49/45/73/760494573.db2.gz CLRRDDKGMWJDCP-UHFFFAOYSA-N 1 3 323.360 0.665 20 0 DCADHO CN1[C@@H]2CC[C@H]1C[C@@H](N([C@@H]1CCC[NH2+]C1)S(C)(=O)=O)C2 ZINC001169152244 760597827 /nfs/dbraw/zinc/59/78/27/760597827.db2.gz ACWZPNKLCJNRSM-RQJABVFESA-N 1 3 301.456 0.625 20 0 DCADHO CC(=O)N1CC[C@H](N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)C1 ZINC001169509766 760701860 /nfs/dbraw/zinc/70/18/60/760701860.db2.gz IENLXEZIMFYWFW-QWHCGFSZSA-N 1 3 314.430 0.787 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360476 767973596 /nfs/dbraw/zinc/97/35/96/767973596.db2.gz VTDAEXOXESCQML-UHFFFAOYSA-N 1 3 314.474 0.729 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H](O)Cc2ccccc2)CCC1 ZINC001129356195 761001273 /nfs/dbraw/zinc/00/12/73/761001273.db2.gz DFRWNLOAKGBNNX-MRXNPFEDSA-N 1 3 319.449 0.780 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)C(C)C ZINC001148570737 768013128 /nfs/dbraw/zinc/01/31/28/768013128.db2.gz KKDZVIYTMHZXGE-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N[C@H](C)C(C)C ZINC001148570737 768013135 /nfs/dbraw/zinc/01/31/35/768013135.db2.gz KKDZVIYTMHZXGE-CQSZACIVSA-N 1 3 314.474 0.585 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC001148638138 768028062 /nfs/dbraw/zinc/02/80/62/768028062.db2.gz FAISHDKHTITODR-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCCOC)C[C@H]1O ZINC001099895175 768033976 /nfs/dbraw/zinc/03/39/76/768033976.db2.gz VOHGTADAEAMRQT-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001099895175 768033979 /nfs/dbraw/zinc/03/39/79/768033979.db2.gz VOHGTADAEAMRQT-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC(C)(C)CN2CCO)C1 ZINC001099310741 762860760 /nfs/dbraw/zinc/86/07/60/762860760.db2.gz ULBBWAFMVZNMRA-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC(C)(C)CN2CCO)C1 ZINC001099310741 762860770 /nfs/dbraw/zinc/86/07/70/762860770.db2.gz ULBBWAFMVZNMRA-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001129437062 762943484 /nfs/dbraw/zinc/94/34/84/762943484.db2.gz VKEOHTMIVDTQPX-XJKSGUPXSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCOCC(F)(F)F)N(C)C ZINC001129953505 763056331 /nfs/dbraw/zinc/05/63/31/763056331.db2.gz JWUJGYYWTZTXOH-NSHDSACASA-N 1 3 313.364 0.857 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@H]1COc2ccccc2O1)N(C)C ZINC001130203853 763177078 /nfs/dbraw/zinc/17/70/78/763177078.db2.gz ZOPLJZSQSDWAOK-UONOGXRCSA-N 1 3 321.421 0.872 20 0 DCADHO CC(C)OCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975008 763179851 /nfs/dbraw/zinc/17/98/51/763179851.db2.gz XNMAMQZKAVQFMN-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130201095 763184201 /nfs/dbraw/zinc/18/42/01/763184201.db2.gz VEBDVOIZCTVBSY-GXTWGEPZSA-N 1 3 314.474 0.726 20 0 DCADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1 ZINC001099987379 763190366 /nfs/dbraw/zinc/19/03/66/763190366.db2.gz ZDJUWACLKDUEBW-SJORKVTESA-N 1 3 319.449 0.998 20 0 DCADHO CC(C)=CCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073561 763282275 /nfs/dbraw/zinc/28/22/75/763282275.db2.gz DVXIYHNMRAWRIM-LSDHHAIUSA-N 1 3 313.442 0.082 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1O ZINC001100081076 763290111 /nfs/dbraw/zinc/29/01/11/763290111.db2.gz PAMLRFOZCFOBEX-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1O ZINC001100081076 763290118 /nfs/dbraw/zinc/29/01/18/763290118.db2.gz PAMLRFOZCFOBEX-CABCVRRESA-N 1 3 315.458 0.306 20 0 DCADHO CCN1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099898463 768122208 /nfs/dbraw/zinc/12/22/08/768122208.db2.gz BXRCKOHZGVVGRP-HUUCEWRRSA-N 1 3 306.410 0.479 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCc1cnn(CC)c1 ZINC001130425302 763295890 /nfs/dbraw/zinc/29/58/90/763295890.db2.gz SMOZUEDNFLYSFG-UHFFFAOYSA-N 1 3 309.458 0.882 20 0 DCADHO COCCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131297 763337457 /nfs/dbraw/zinc/33/74/57/763337457.db2.gz ASRSJMJMMCJPHR-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO COCCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100131297 763337463 /nfs/dbraw/zinc/33/74/63/763337463.db2.gz ASRSJMJMMCJPHR-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001130617588 763405661 /nfs/dbraw/zinc/40/56/61/763405661.db2.gz CRGPZNZFHUMHAO-CYBMUJFWSA-N 1 3 310.442 0.234 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001130617588 763405670 /nfs/dbraw/zinc/40/56/70/763405670.db2.gz CRGPZNZFHUMHAO-CYBMUJFWSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001130709140 763449188 /nfs/dbraw/zinc/44/91/88/763449188.db2.gz VGPGXTMVASDBTA-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001130709140 763449194 /nfs/dbraw/zinc/44/91/94/763449194.db2.gz VGPGXTMVASDBTA-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1=O ZINC001130713269 763452796 /nfs/dbraw/zinc/45/27/96/763452796.db2.gz JCWRFOCUBIXTHF-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1=O ZINC001130713269 763452799 /nfs/dbraw/zinc/45/27/99/763452799.db2.gz JCWRFOCUBIXTHF-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO COc1cc(CNCCNC(=O)C23CCC[NH+]2CCC3)ccn1 ZINC001130806034 763500648 /nfs/dbraw/zinc/50/06/48/763500648.db2.gz ZEKPUMZDKGDERG-UHFFFAOYSA-N 1 3 318.421 0.924 20 0 DCADHO Cc1cnc(CNCCNC(=O)c2ccn3c[nH+]cc3c2)cn1 ZINC001130874966 763548914 /nfs/dbraw/zinc/54/89/14/763548914.db2.gz XEVBKOBKPNGERA-UHFFFAOYSA-N 1 3 310.361 0.952 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410674 763560855 /nfs/dbraw/zinc/56/08/55/763560855.db2.gz HNXXMFXZZWJUQZ-UHFFFAOYSA-N 1 3 324.469 0.480 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001100426765 763571385 /nfs/dbraw/zinc/57/13/85/763571385.db2.gz ZZNYWERINSMDKY-WUCCLRPBSA-N 1 3 315.458 0.064 20 0 DCADHO CCc1nc([C@@H](C)NC2CC(CNC(=O)CC[NH+](C)C)C2)n[nH]1 ZINC001100637086 763694666 /nfs/dbraw/zinc/69/46/66/763694666.db2.gz AYVSPIIVVKFAFA-PNESKVBLSA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001100683778 763723273 /nfs/dbraw/zinc/72/32/73/763723273.db2.gz RNJBIFVLOCSJHP-UBHUBRDASA-N 1 3 310.442 0.090 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001100770488 763775133 /nfs/dbraw/zinc/77/51/33/763775133.db2.gz DUUFZJUXZOGHMS-OPFPJEHXSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001100770989 763775992 /nfs/dbraw/zinc/77/59/92/763775992.db2.gz SXKVVXPKAITLDU-RUXDESIVSA-N 1 3 310.442 0.043 20 0 DCADHO O=C(NCC[NH2+]CCCCCF)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519410 763843168 /nfs/dbraw/zinc/84/31/68/763843168.db2.gz DCIRTXIKOVVINE-BBBYJDLNSA-N 1 3 313.417 0.695 20 0 DCADHO O=C(NCC[NH2+]C[C@H]1CCCCO1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521580 763847069 /nfs/dbraw/zinc/84/70/69/763847069.db2.gz BZJURFHWENCGKG-DGNOSDGRSA-N 1 3 323.437 0.125 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCN2CCCC2=O)C1 ZINC001100904693 763849743 /nfs/dbraw/zinc/84/97/43/763849743.db2.gz BUSOMGJOUAFXLQ-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)N(C)C ZINC001131790637 764014256 /nfs/dbraw/zinc/01/42/56/764014256.db2.gz ROWCEYBARSNDMO-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815453 764052744 /nfs/dbraw/zinc/05/27/44/764052744.db2.gz DLNOBSJBNGWWPE-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CCNC(=O)CNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815453 764052755 /nfs/dbraw/zinc/05/27/55/764052755.db2.gz DLNOBSJBNGWWPE-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO C[N@H+](CCC(=O)NCCNCC(=O)N1CCC1)C1CCCCC1 ZINC001131815412 764053077 /nfs/dbraw/zinc/05/30/77/764053077.db2.gz BTUDNFGGQRCCNX-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[N@@H+](CCC(=O)NCCNCC(=O)N1CCC1)C1CCCCC1 ZINC001131815412 764053081 /nfs/dbraw/zinc/05/30/81/764053081.db2.gz BTUDNFGGQRCCNX-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CCOCCN1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426031 764452786 /nfs/dbraw/zinc/45/27/86/764452786.db2.gz QWJFLRWRXPOCAE-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001102104297 764525466 /nfs/dbraw/zinc/52/54/66/764525466.db2.gz OGRVNEZMBFCIOI-MCIONIFRSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001102104297 764525468 /nfs/dbraw/zinc/52/54/68/764525468.db2.gz OGRVNEZMBFCIOI-MCIONIFRSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001102525370 764680185 /nfs/dbraw/zinc/68/01/85/764680185.db2.gz YYPJSISVYSDJAB-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1C ZINC001102525370 764680187 /nfs/dbraw/zinc/68/01/87/764680187.db2.gz YYPJSISVYSDJAB-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO Cc1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2CN(C(C)C)CCO2)o1 ZINC001132848317 764689017 /nfs/dbraw/zinc/68/90/17/764689017.db2.gz DWLLGYSXYNNOJI-HNNXBMFYSA-N 1 3 324.425 0.606 20 0 DCADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132892258 764711714 /nfs/dbraw/zinc/71/17/14/764711714.db2.gz CWNVLIAULSTEKL-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCc2ccc3nonc3c2)CC1 ZINC001132995512 764783751 /nfs/dbraw/zinc/78/37/51/764783751.db2.gz WMMBKIBKPRWAPR-UHFFFAOYSA-N 1 3 317.393 0.770 20 0 DCADHO CC(C)CCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051804 764802519 /nfs/dbraw/zinc/80/25/19/764802519.db2.gz PLVCNRIBLMKZOZ-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)C(=O)NCc1ccco1 ZINC001133051794 764802652 /nfs/dbraw/zinc/80/26/52/764802652.db2.gz PBPWEYADZNJZKN-ZDUSSCGKSA-N 1 3 324.425 0.332 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CCC[NH+](C)C)c1ccco1 ZINC001133051638 764803098 /nfs/dbraw/zinc/80/30/98/764803098.db2.gz IZSYQIHAYAQGNR-CYBMUJFWSA-N 1 3 324.425 0.504 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103003348 764897221 /nfs/dbraw/zinc/89/72/21/764897221.db2.gz NIRWYFXSTJZRRR-KBUPBQIOSA-N 1 3 324.469 0.147 20 0 DCADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103003348 764897232 /nfs/dbraw/zinc/89/72/32/764897232.db2.gz NIRWYFXSTJZRRR-KBUPBQIOSA-N 1 3 324.469 0.147 20 0 DCADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NC2CCCCC2)CC1 ZINC001133285976 764905972 /nfs/dbraw/zinc/90/59/72/764905972.db2.gz QRGSGQUPQRNZDA-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133295006 764913113 /nfs/dbraw/zinc/91/31/13/764913113.db2.gz ZOIXAHLTKXWQDK-UHFFFAOYSA-N 1 3 300.447 0.293 20 0 DCADHO Cc1ccccc1CNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290739 764908476 /nfs/dbraw/zinc/90/84/76/764908476.db2.gz AFXNITCAFRMAHZ-UHFFFAOYSA-N 1 3 320.437 0.269 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415708 764956506 /nfs/dbraw/zinc/95/65/06/764956506.db2.gz LBGBBPHZOUYGCZ-GXTWGEPZSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1)N(C)C ZINC001133434017 764968442 /nfs/dbraw/zinc/96/84/42/764968442.db2.gz HMGXOWBYLJKVQK-HUUCEWRRSA-N 1 3 315.458 0.474 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103757282 765119839 /nfs/dbraw/zinc/11/98/39/765119839.db2.gz UKAIQOUGKMBFPH-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103757282 765119842 /nfs/dbraw/zinc/11/98/42/765119842.db2.gz UKAIQOUGKMBFPH-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001103756799 765120594 /nfs/dbraw/zinc/12/05/94/765120594.db2.gz AOEQMVVHRIMGJJ-OAGGEKHMSA-N 1 3 311.470 0.927 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001103756799 765120597 /nfs/dbraw/zinc/12/05/97/765120597.db2.gz AOEQMVVHRIMGJJ-OAGGEKHMSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133823693 765154081 /nfs/dbraw/zinc/15/40/81/765154081.db2.gz MHGFSXWHQLTITF-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001133823693 765154089 /nfs/dbraw/zinc/15/40/89/765154089.db2.gz MHGFSXWHQLTITF-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CO[C@@H](C)C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856837 765182563 /nfs/dbraw/zinc/18/25/63/765182563.db2.gz SHOLMGVJNMJYTI-SWLSCSKDSA-N 1 3 303.422 0.940 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)N1CCCCC1)N(C)C ZINC001133968171 765260374 /nfs/dbraw/zinc/26/03/74/765260374.db2.gz QIWHGLFCXFPPIN-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134613932 765591798 /nfs/dbraw/zinc/59/17/98/765591798.db2.gz YUHXHQYXBJKDLJ-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001134759378 765657998 /nfs/dbraw/zinc/65/79/98/765657998.db2.gz NOXRWAUPXVHYFC-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001134759378 765658005 /nfs/dbraw/zinc/65/80/05/765658005.db2.gz NOXRWAUPXVHYFC-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001134772439 765665701 /nfs/dbraw/zinc/66/57/01/765665701.db2.gz DEHKLVSMBPAWAV-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780526 765671554 /nfs/dbraw/zinc/67/15/54/765671554.db2.gz KIRWKAOZGDESSP-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001134782708 765672571 /nfs/dbraw/zinc/67/25/71/765672571.db2.gz JZSSNWCZJNMRBT-CYBMUJFWSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093804 765801250 /nfs/dbraw/zinc/80/12/50/765801250.db2.gz SGNJHZBKNYNYOF-UKRRQHHQSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093804 765801255 /nfs/dbraw/zinc/80/12/55/765801255.db2.gz SGNJHZBKNYNYOF-UKRRQHHQSA-N 1 3 305.426 0.643 20 0 DCADHO COc1cncc(CN[C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001135371736 765907227 /nfs/dbraw/zinc/90/72/27/765907227.db2.gz ILAJWCNVFWHOPG-QWHCGFSZSA-N 1 3 323.441 0.810 20 0 DCADHO CO[C@@H](C)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488371 765918960 /nfs/dbraw/zinc/91/89/60/765918960.db2.gz UEPKGWJFASKEEM-ZDUSSCGKSA-N 1 3 324.425 0.272 20 0 DCADHO CO[C@@H](C)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488371 765918964 /nfs/dbraw/zinc/91/89/64/765918964.db2.gz UEPKGWJFASKEEM-ZDUSSCGKSA-N 1 3 324.425 0.272 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135437027 765933382 /nfs/dbraw/zinc/93/33/82/765933382.db2.gz KELIBWXYYIKWRH-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135468976 765941389 /nfs/dbraw/zinc/94/13/89/765941389.db2.gz VMVQGLLEAIQKCQ-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(=O)NC(C)C)C(C)C ZINC001135478047 765950080 /nfs/dbraw/zinc/95/00/80/765950080.db2.gz UOJPUWYIFCMZFT-HNNXBMFYSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC001117117239 765986950 /nfs/dbraw/zinc/98/69/50/765986950.db2.gz GTKVWXQYTSQUBQ-CYBMUJFWSA-N 1 3 312.458 0.101 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCn1cncn1 ZINC001135705712 766061917 /nfs/dbraw/zinc/06/19/17/766061917.db2.gz IEXLRICTXULZOD-KGLIPLIRSA-N 1 3 310.446 0.493 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCOC ZINC001135980762 766193405 /nfs/dbraw/zinc/19/34/05/766193405.db2.gz SDYBGPGLAPZOCI-CABCVRRESA-N 1 3 317.474 0.864 20 0 DCADHO CCOC(=O)[C@H]1NC(=O)c2cc(N[C@@H](N)CCC[NH3+])ccc2O1 ZINC001170901013 766250756 /nfs/dbraw/zinc/25/07/56/766250756.db2.gz TUVNXUMTKZUVLM-OCCSQVGLSA-N 1 3 322.365 0.134 20 0 DCADHO COc1ccc(CC[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cn1 ZINC001118900447 766464992 /nfs/dbraw/zinc/46/49/92/766464992.db2.gz QHLDKEFGECADGY-CQSZACIVSA-N 1 3 306.410 0.420 20 0 DCADHO O=C(C[NH+]1CCCC1)N[C@@H]1CCN(CCC(F)(F)F)C[C@H]1O ZINC001090818257 766631629 /nfs/dbraw/zinc/63/16/29/766631629.db2.gz UMKHRTUAAVLMNT-VXGBXAGGSA-N 1 3 323.359 0.586 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001119353346 766642195 /nfs/dbraw/zinc/64/21/95/766642195.db2.gz ZOJINVNWKIEOFH-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001120635054 767102572 /nfs/dbraw/zinc/10/25/72/767102572.db2.gz ZEUHWTIIEVJSID-XHSDSOJGSA-N 1 3 324.469 0.759 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)c1ccccc1CN(C)C ZINC001146581479 767482905 /nfs/dbraw/zinc/48/29/05/767482905.db2.gz CDOHSHXWLNMKKO-QWHCGFSZSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001146594834 767487103 /nfs/dbraw/zinc/48/71/03/767487103.db2.gz VIMGZDPFEPESCP-STQMWFEESA-N 1 3 312.458 0.478 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001146711119 767509387 /nfs/dbraw/zinc/50/93/87/767509387.db2.gz OUMAQZLCHJMCRL-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001146711119 767509393 /nfs/dbraw/zinc/50/93/93/767509393.db2.gz OUMAQZLCHJMCRL-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC)C2 ZINC001121325898 767515613 /nfs/dbraw/zinc/51/56/13/767515613.db2.gz QEMMCXGLMKJSRT-UHFFFAOYSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC001122107060 767716494 /nfs/dbraw/zinc/71/64/94/767716494.db2.gz ZEYBCXMERXVKSL-XJIRZWNVSA-N 1 3 322.453 0.234 20 0 DCADHO CCC[NH+](CCC)CCCC(=O)NCCNCC(=O)NC ZINC001147449362 767756765 /nfs/dbraw/zinc/75/67/65/767756765.db2.gz PVWRGDPUUUOVAU-UHFFFAOYSA-N 1 3 300.447 0.340 20 0 DCADHO CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH]cn3)[C@H]2C(C)C)C[C@H]1O ZINC001093466444 768571800 /nfs/dbraw/zinc/57/18/00/768571800.db2.gz NORCJOQMPGAOJF-TXCZRRACSA-N 1 3 320.437 0.938 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H]1CCN(CC)C1=O ZINC001161227318 768702512 /nfs/dbraw/zinc/70/25/12/768702512.db2.gz YSSQCNYRSCKEOW-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc2[nH]c(CO)nc2c1 ZINC001149312515 768730217 /nfs/dbraw/zinc/73/02/17/768730217.db2.gz KPYUUZUZEIIIKU-UHFFFAOYSA-N 1 3 304.354 0.130 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093821236 768736684 /nfs/dbraw/zinc/73/66/84/768736684.db2.gz XZNVRIFYAOBTLW-MCIONIFRSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093825287 768737821 /nfs/dbraw/zinc/73/78/21/768737821.db2.gz BLDBLZGCUZACIL-NFAWXSAZSA-N 1 3 322.453 0.043 20 0 DCADHO COC[C@@H](C)N1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242517 769046497 /nfs/dbraw/zinc/04/64/97/769046497.db2.gz YXTNXPKGFMKXSR-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C[C@@H](C)O)CCCO1 ZINC001149936543 769123364 /nfs/dbraw/zinc/12/33/64/769123364.db2.gz IAFKBJMGGDUZLV-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C[C@@H](C)O)CCCO1 ZINC001149936543 769123368 /nfs/dbraw/zinc/12/33/68/769123368.db2.gz IAFKBJMGGDUZLV-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001151048392 769244309 /nfs/dbraw/zinc/24/43/09/769244309.db2.gz ASZDHRJRUOFNCI-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCCCCC2)C1 ZINC001151048392 769244313 /nfs/dbraw/zinc/24/43/13/769244313.db2.gz ASZDHRJRUOFNCI-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048388 769244335 /nfs/dbraw/zinc/24/43/35/769244335.db2.gz ASMPLNRBRIETGY-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCCN(CCC)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048388 769244339 /nfs/dbraw/zinc/24/43/39/769244339.db2.gz ASMPLNRBRIETGY-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCCC1 ZINC001151073063 769253378 /nfs/dbraw/zinc/25/33/78/769253378.db2.gz FMZDQDGYHYEHQN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N1CCCCCC1 ZINC001151073063 769253386 /nfs/dbraw/zinc/25/33/86/769253386.db2.gz FMZDQDGYHYEHQN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NCCNC(=O)CCC[NH+]1CCCCC1)C(=O)N(C)C ZINC001151361437 769321233 /nfs/dbraw/zinc/32/12/33/769321233.db2.gz GKUVBUCOYMWHQO-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC(CNCc2cnns2)CC1 ZINC001206153447 769410801 /nfs/dbraw/zinc/41/08/01/769410801.db2.gz XHHYVTJZGIYSMD-UHFFFAOYSA-N 1 3 311.455 0.818 20 0 DCADHO CS(=O)(=O)N1CCC(CN2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206156405 769428947 /nfs/dbraw/zinc/42/89/47/769428947.db2.gz QMYXEVGILQZYLG-STQMWFEESA-N 1 3 307.435 0.419 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340356 769530858 /nfs/dbraw/zinc/53/08/58/769530858.db2.gz MTNQZLIRFJLIFS-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001152459004 769567126 /nfs/dbraw/zinc/56/71/26/769567126.db2.gz WOWKVQIQWWRWGG-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001152464304 769567860 /nfs/dbraw/zinc/56/78/60/769567860.db2.gz JLMLKEIKBSHEPJ-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)Cc2nc[nH]c2C)n1 ZINC001174682717 769777597 /nfs/dbraw/zinc/77/75/97/769777597.db2.gz LBYACYDXCVCLKP-UHFFFAOYSA-N 1 3 319.413 0.265 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001174691367 769780150 /nfs/dbraw/zinc/78/01/50/769780150.db2.gz JOFUPPQZSQHFHB-GFCCVEGCSA-N 1 3 317.397 0.136 20 0 DCADHO c1ccc(N2CC[NH2+]CC2)c(CN2C[C@@H]3COC[C@H](C2)N3)c1 ZINC001235297953 769798361 /nfs/dbraw/zinc/79/83/61/769798361.db2.gz GLGKBSJIGFHLLS-IYBDPMFKSA-N 1 3 302.422 0.269 20 0 DCADHO NC(=O)[C@@H]1CN(Cc2cn3c4c2cccc4C[NH2+]CC3)CCN1 ZINC001235762176 769945244 /nfs/dbraw/zinc/94/52/44/769945244.db2.gz WHFMZTBPECOWND-HNNXBMFYSA-N 1 3 313.405 0.004 20 0 DCADHO CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(CC)CC ZINC001175770266 769960328 /nfs/dbraw/zinc/96/03/28/769960328.db2.gz ZWCNDRPFOPZFFB-CQSZACIVSA-N 1 3 314.474 0.729 20 0 DCADHO CCOC(=O)[C@H]1CN(Cc2ccnc(N)c2)CCC12C[NH2+]C2 ZINC001237428182 770040002 /nfs/dbraw/zinc/04/00/02/770040002.db2.gz BCZZAKXOSVLVHU-CYBMUJFWSA-N 1 3 304.394 0.638 20 0 DCADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCNCc1ncccn1 ZINC001176168938 770041062 /nfs/dbraw/zinc/04/10/62/770041062.db2.gz HFPSKCTXELMWQM-AWEZNQCLSA-N 1 3 321.425 0.041 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)[C@H](C)CN2CCOCC2)no1 ZINC001176170530 770043651 /nfs/dbraw/zinc/04/36/51/770043651.db2.gz WYJCUXRQUAJGTG-CYBMUJFWSA-N 1 3 324.425 0.547 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)C(N)=O ZINC001176350411 770090743 /nfs/dbraw/zinc/09/07/43/770090743.db2.gz DDOZBCRKCNOOTR-PWSUYJOCSA-N 1 3 309.414 0.399 20 0 DCADHO O=S(=O)(Cc1ccccn1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239579 770109007 /nfs/dbraw/zinc/10/90/07/770109007.db2.gz DRRPNEFGWDPTHD-ZDUSSCGKSA-N 1 3 324.450 0.375 20 0 DCADHO Cc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cn1 ZINC001238243074 770109136 /nfs/dbraw/zinc/10/91/36/770109136.db2.gz RSURILZOPUGJMR-CYBMUJFWSA-N 1 3 324.450 0.543 20 0 DCADHO Cc1ccc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)cn1 ZINC001238243074 770109144 /nfs/dbraw/zinc/10/91/44/770109144.db2.gz RSURILZOPUGJMR-CYBMUJFWSA-N 1 3 324.450 0.543 20 0 DCADHO Cc1ccc2c(c1)[C@@H](NS(=O)(=O)CCN)CC21CC[NH2+]CC1 ZINC001238258799 770110766 /nfs/dbraw/zinc/11/07/66/770110766.db2.gz HDKSDRURRKJMIG-HNNXBMFYSA-N 1 3 323.462 0.939 20 0 DCADHO O=S(=O)(N[C@H]1CCCN[C@@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC001238734746 770128514 /nfs/dbraw/zinc/12/85/14/770128514.db2.gz NTBWSULKCTVDMY-SOUVJXGZSA-N 1 3 309.435 0.761 20 0 DCADHO CCNC(=O)C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889950 770211547 /nfs/dbraw/zinc/21/15/47/770211547.db2.gz JAFOICXFBMHVPR-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCNCc1ccn(C)n1 ZINC001176844604 770213175 /nfs/dbraw/zinc/21/31/75/770213175.db2.gz LXQIZQKMHCLAGS-OKILXGFUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCNCc1ccn(C)n1 ZINC001176844604 770213181 /nfs/dbraw/zinc/21/31/81/770213181.db2.gz LXQIZQKMHCLAGS-OKILXGFUSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@H]([NH2+]CCCNC(=O)c1ccccc1CN(C)C)C(N)=O ZINC001176948005 770249708 /nfs/dbraw/zinc/24/97/08/770249708.db2.gz BYTFLUIIJYMVMX-HNNXBMFYSA-N 1 3 320.437 0.722 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176986536 770273755 /nfs/dbraw/zinc/27/37/55/770273755.db2.gz QNPCCJPODVKXCZ-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CCN(CC)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001206654574 770448385 /nfs/dbraw/zinc/44/83/85/770448385.db2.gz ZYBWWNQBBRZDNU-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001155789194 770616876 /nfs/dbraw/zinc/61/68/76/770616876.db2.gz BHFMQQGFPDHGMX-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155789928 770616949 /nfs/dbraw/zinc/61/69/49/770616949.db2.gz IBFRJJDNWXDJPG-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccccc1 ZINC001155791038 770618971 /nfs/dbraw/zinc/61/89/71/770618971.db2.gz RDBQCIZGPJHVHG-HNNXBMFYSA-N 1 3 318.421 0.815 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC(C)(C)C)CCN1C(=O)[C@H]1CCCN1C ZINC001178356230 770731424 /nfs/dbraw/zinc/73/14/24/770731424.db2.gz JOALMAHPTRJKFY-MELADBBJSA-N 1 3 324.469 0.574 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001178356488 770732334 /nfs/dbraw/zinc/73/23/34/770732334.db2.gz OJLUTGXDCNTZLS-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178926498 770892961 /nfs/dbraw/zinc/89/29/61/770892961.db2.gz XPIZILLGJHODHU-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926498 770892972 /nfs/dbraw/zinc/89/29/72/770892972.db2.gz XPIZILLGJHODHU-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H]1C ZINC001179763924 771013695 /nfs/dbraw/zinc/01/36/95/771013695.db2.gz QBYHKEKLXUNICT-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001179861515 771030748 /nfs/dbraw/zinc/03/07/48/771030748.db2.gz ZPMIFGPYYVSWQC-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001179861515 771030750 /nfs/dbraw/zinc/03/07/50/771030750.db2.gz ZPMIFGPYYVSWQC-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179860956 771031042 /nfs/dbraw/zinc/03/10/42/771031042.db2.gz DOZJFDPFQXMEDU-IHRRRGAJSA-N 1 3 312.458 0.384 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)[C@@H]1C ZINC001179860956 771031049 /nfs/dbraw/zinc/03/10/49/771031049.db2.gz DOZJFDPFQXMEDU-IHRRRGAJSA-N 1 3 312.458 0.384 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C[C@@H](O)COC ZINC001180123214 771065398 /nfs/dbraw/zinc/06/53/98/771065398.db2.gz BDJINLROODWJCT-OAHLLOKOSA-N 1 3 317.474 0.602 20 0 DCADHO CN1CCC[C@@](C)(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180611075 771149255 /nfs/dbraw/zinc/14/92/55/771149255.db2.gz AGBQFYACEWMRPV-MRXNPFEDSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001181441090 771291817 /nfs/dbraw/zinc/29/18/17/771291817.db2.gz LCWHUPVHDMBPDH-HLLBOEOZSA-N 1 3 311.470 0.926 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001181652885 771326446 /nfs/dbraw/zinc/32/64/46/771326446.db2.gz RELQUKDWZCEVCD-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]CCCO ZINC001181736030 771346623 /nfs/dbraw/zinc/34/66/23/771346623.db2.gz GUBCIPCGPNQYKC-RHSMWYFYSA-N 1 3 311.470 0.927 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H](C)C(N)=O)C1)N(C)C ZINC001181885646 771363758 /nfs/dbraw/zinc/36/37/58/771363758.db2.gz ZFEHYQWKGMMZLT-OQMKEHIESA-N 1 3 312.458 0.275 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741148 771546614 /nfs/dbraw/zinc/54/66/14/771546614.db2.gz JJWCJNOAIVHNCY-BFQNTYOBSA-N 1 3 321.425 0.161 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1CC1CC1 ZINC001157323376 771587100 /nfs/dbraw/zinc/58/71/00/771587100.db2.gz ICNCRZKVAKSUKN-KBPBESRZSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157525821 771625245 /nfs/dbraw/zinc/62/52/45/771625245.db2.gz DRACVCGZKGMQSJ-AWEZNQCLSA-N 1 3 300.422 0.347 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001183288739 771632891 /nfs/dbraw/zinc/63/28/91/771632891.db2.gz MPBZZEIEMMZPHE-CHWSQXEVSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(N1CCN(CC2CCCCC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001157579154 771635297 /nfs/dbraw/zinc/63/52/97/771635297.db2.gz KEUZGYGNVKUNGX-WMZOPIPTSA-N 1 3 321.465 0.947 20 0 DCADHO CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001157593527 771638849 /nfs/dbraw/zinc/63/88/49/771638849.db2.gz VMTUTJCDEARXLV-WDEREUQCSA-N 1 3 301.387 0.605 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1)[NH+](C)C ZINC001183436861 771650018 /nfs/dbraw/zinc/65/00/18/771650018.db2.gz RSSMFNRHHNKDGG-ZBFHGGJFSA-N 1 3 324.469 0.289 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183516969 771654492 /nfs/dbraw/zinc/65/44/92/771654492.db2.gz IKRLEYLGRTVESB-CKEIUWERSA-N 1 3 324.469 0.420 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCOCC(F)(F)C1 ZINC001157708298 771656512 /nfs/dbraw/zinc/65/65/12/771656512.db2.gz OITMIVQYBPNRQF-NSHDSACASA-N 1 3 303.353 0.355 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCOCC(F)(F)C1 ZINC001157708298 771656513 /nfs/dbraw/zinc/65/65/13/771656513.db2.gz OITMIVQYBPNRQF-NSHDSACASA-N 1 3 303.353 0.355 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC001157720262 771658791 /nfs/dbraw/zinc/65/87/91/771658791.db2.gz DSLMSSWMJBQQMZ-LBPRGKRZSA-N 1 3 324.450 0.671 20 0 DCADHO CN1CCN(C(=[NH2+])Nc2nc(Cl)c(F)cc2C(N)=O)CC1 ZINC001157915421 771693026 /nfs/dbraw/zinc/69/30/26/771693026.db2.gz WEDKZVZDZLQTQQ-UHFFFAOYSA-N 1 3 314.752 0.567 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001183737211 771695861 /nfs/dbraw/zinc/69/58/61/771695861.db2.gz AXJIJVULZVPKBO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001183737211 771695864 /nfs/dbraw/zinc/69/58/64/771695864.db2.gz AXJIJVULZVPKBO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(C[C@H]2CCO)CC1 ZINC001158111025 771727426 /nfs/dbraw/zinc/72/74/26/771727426.db2.gz JETLWXQYXZMTLL-NEPJUHHUSA-N 1 3 301.456 0.017 20 0 DCADHO N[C@H]1CCCCN(CC(=O)N2CCC3(CCC[NH2+]3)CC2)C1=O ZINC001158168142 771733131 /nfs/dbraw/zinc/73/31/31/771733131.db2.gz CDNRGEUDSARNDP-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO Cc1nc2c([nH]1)CCN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001158339038 771761757 /nfs/dbraw/zinc/76/17/57/771761757.db2.gz JIHIHTYUMZUTJQ-OAHLLOKOSA-N 1 3 317.437 0.520 20 0 DCADHO CN[C@H](C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)c1ccccc1 ZINC001158532325 771786045 /nfs/dbraw/zinc/78/60/45/771786045.db2.gz ATFKJCPMHMEHOT-UIBIWLFHSA-N 1 3 315.417 0.927 20 0 DCADHO N[C@H](C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1)C1CCC(O)CC1 ZINC001158576249 771792304 /nfs/dbraw/zinc/79/23/04/771792304.db2.gz AUIPSYCXFQFENH-XTNFGFQESA-N 1 3 313.417 0.400 20 0 DCADHO C[C@@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1)C(N)=O ZINC001184560478 771799097 /nfs/dbraw/zinc/79/90/97/771799097.db2.gz SCSAOWKQEDPTAS-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1C[C@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)CC[C@H]2O1 ZINC001158855828 771827925 /nfs/dbraw/zinc/82/79/25/771827925.db2.gz JWGGHHYPRKPMGV-BYNSBNAKSA-N 1 3 307.438 0.887 20 0 DCADHO C[C@H]1C[C@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)CC[C@H]2O1 ZINC001158855828 771827928 /nfs/dbraw/zinc/82/79/28/771827928.db2.gz JWGGHHYPRKPMGV-BYNSBNAKSA-N 1 3 307.438 0.887 20 0 DCADHO [NH3+]Cc1ccc2nnn(-c3nc(Cl)nc4c3CCNC4)c2c1 ZINC001159026916 771849483 /nfs/dbraw/zinc/84/94/83/771849483.db2.gz RLDDQCPYWALXBL-UHFFFAOYSA-N 1 3 315.768 0.968 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001185207127 771879258 /nfs/dbraw/zinc/87/92/58/771879258.db2.gz WBXVDMHTEXHROD-OLZOCXBDSA-N 1 3 321.425 0.115 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249126 771888107 /nfs/dbraw/zinc/88/81/07/771888107.db2.gz PBAIKSGNEBEJJL-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO CCCC[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001185385256 771909108 /nfs/dbraw/zinc/90/91/08/771909108.db2.gz NNBJFLPPHQIDCM-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)[C@H](N)CCC[NH3+])O2)n1 ZINC001159514700 771922389 /nfs/dbraw/zinc/92/23/89/771922389.db2.gz IOHULIWUEGNORT-LPWJVIDDSA-N 1 3 323.397 0.265 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001185715319 771948331 /nfs/dbraw/zinc/94/83/31/771948331.db2.gz AOIUNLVEXBRRAE-MJBXVCDLSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C)CCC1 ZINC001159846218 771967783 /nfs/dbraw/zinc/96/77/83/771967783.db2.gz MAXSLCSJOCQTOR-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915736 771976762 /nfs/dbraw/zinc/97/67/62/771976762.db2.gz MVILYXJLEBCNJE-CQSZACIVSA-N 1 3 301.431 0.086 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1cnccn1 ZINC001159923453 771977575 /nfs/dbraw/zinc/97/75/75/771977575.db2.gz GPOWXCVDGWJIBH-WFASDCNBSA-N 1 3 305.426 0.974 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001160427795 772036527 /nfs/dbraw/zinc/03/65/27/772036527.db2.gz UDNRLMFZRPDLJL-AWEZNQCLSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH2+]CC1CCN(C(=O)[C@H](N)CCC(=O)OC(C)(C)C)CC1 ZINC001160459688 772043514 /nfs/dbraw/zinc/04/35/14/772043514.db2.gz PZCXFZGSKMGZBS-CYBMUJFWSA-N 1 3 313.442 0.894 20 0 DCADHO COC(=O)CCN(Cc1ccco1)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001160471072 772045135 /nfs/dbraw/zinc/04/51/35/772045135.db2.gz QVYUKESLZCQLED-OAHLLOKOSA-N 1 3 323.393 0.498 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)[C@@H](N)Cc2cncn2C)CC1 ZINC001160477845 772046515 /nfs/dbraw/zinc/04/65/15/772046515.db2.gz DTKNXKBFXGEALH-HNNXBMFYSA-N 1 3 307.442 0.623 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC(OCc2ccccc2)C1 ZINC001160491094 772049018 /nfs/dbraw/zinc/04/90/18/772049018.db2.gz SERMQUDVVZMMHX-HNNXBMFYSA-N 1 3 301.390 0.223 20 0 DCADHO [NH3+]C[C@@]1(Nc2nc(Cl)nc3c2CNCC3)CN2CCC1CC2 ZINC001160509546 772052659 /nfs/dbraw/zinc/05/26/59/772052659.db2.gz VSZUIVBNEXPFED-OAHLLOKOSA-N 1 3 322.844 0.611 20 0 DCADHO O=C(N1CC[C@H](c2cccnc2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160524070 772057851 /nfs/dbraw/zinc/05/78/51/772057851.db2.gz HHZJQOSFEVYOHG-ZMSDIMECSA-N 1 3 300.406 0.597 20 0 DCADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656569 772089751 /nfs/dbraw/zinc/08/97/51/772089751.db2.gz YVZOKCYYJZBPDM-BZUAXINKSA-N 1 3 319.449 0.774 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001160876345 772130846 /nfs/dbraw/zinc/13/08/46/772130846.db2.gz VXBRZACQVNUQQC-JKSUJKDBSA-N 1 3 315.417 0.266 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122135 772138166 /nfs/dbraw/zinc/13/81/66/772138166.db2.gz PLEJOPODRIZOST-CQSZACIVSA-N 1 3 322.453 0.045 20 0 DCADHO N[C@]1(C(=O)N2CC[C@@](F)(C[NH3+])C2)CCc2cc(F)ccc2C1 ZINC001161247131 772190709 /nfs/dbraw/zinc/19/07/09/772190709.db2.gz XNZLLISOQPAVKH-HZPDHXFCSA-N 1 3 309.360 0.911 20 0 DCADHO CC(C)N1CC2(CC1=O)CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001161359398 772210872 /nfs/dbraw/zinc/21/08/72/772210872.db2.gz IPQCITYCTFTLDF-AWEZNQCLSA-N 1 3 324.469 0.692 20 0 DCADHO Cc1cccnc1O[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161396106 772217247 /nfs/dbraw/zinc/21/72/47/772217247.db2.gz ZOAWNMAJMLQXEK-KGLIPLIRSA-N 1 3 316.405 0.179 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(=O)NC2(CCCC2)C1 ZINC001161416099 772220234 /nfs/dbraw/zinc/22/02/34/772220234.db2.gz FEFDWCOWOINXJP-AWEZNQCLSA-N 1 3 324.469 0.753 20 0 DCADHO CN(C)CCN(C(=O)Cc1ccccc1N)[C@@H]1CCC[NH2+]C1 ZINC001161447249 772224725 /nfs/dbraw/zinc/22/47/25/772224725.db2.gz WLIPYVWADCNSCJ-OAHLLOKOSA-N 1 3 304.438 0.954 20 0 DCADHO CNc1cc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)n(C)n1 ZINC001161449062 772225521 /nfs/dbraw/zinc/22/55/21/772225521.db2.gz JLRJEVKKFJONMU-LBPRGKRZSA-N 1 3 308.430 0.218 20 0 DCADHO CN1CCC(N(C(=O)C2(N)CC[NH2+]CC2)C2CCCC2)CC1 ZINC001161453239 772226108 /nfs/dbraw/zinc/22/61/08/772226108.db2.gz AJWKRRACRGKFGT-UHFFFAOYSA-N 1 3 308.470 0.933 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)n[nH]1 ZINC001188106437 772266992 /nfs/dbraw/zinc/26/69/92/772266992.db2.gz LPMLOVSCFYQDBQ-CQSZACIVSA-N 1 3 320.441 0.680 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188139347 772270766 /nfs/dbraw/zinc/27/07/66/772270766.db2.gz MFUQRFMUNIQNNA-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001188165141 772273710 /nfs/dbraw/zinc/27/37/10/772273710.db2.gz GNESJDCSUQWVRO-GXTWGEPZSA-N 1 3 310.442 0.184 20 0 DCADHO c1cc2c(nc1NC[C@H]1OC[C@H]3C[NH2+]CC[C@H]31)OCCNC2 ZINC001163163075 772475404 /nfs/dbraw/zinc/47/54/04/772475404.db2.gz GFAKJOIYXBPDBV-MGPQQGTHSA-N 1 3 304.394 0.600 20 0 DCADHO Cc1cc(CN)nn1-c1nc(C)cc(OC2CC[NH2+]CC2)n1 ZINC001163980012 772601200 /nfs/dbraw/zinc/60/12/00/772601200.db2.gz MHQBFVSXQJFYRE-UHFFFAOYSA-N 1 3 302.382 0.869 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001190363254 772622036 /nfs/dbraw/zinc/62/20/36/772622036.db2.gz FVZOQJARIFVXDY-SOUVJXGZSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001190363254 772622037 /nfs/dbraw/zinc/62/20/37/772622037.db2.gz FVZOQJARIFVXDY-SOUVJXGZSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1)C(N)=O ZINC001165485317 772742100 /nfs/dbraw/zinc/74/21/00/772742100.db2.gz RVMAHFQUUHXPIC-WCQYABFASA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001166010916 772778575 /nfs/dbraw/zinc/77/85/75/772778575.db2.gz VMMFBYOFTWVNLE-DZGCQCFKSA-N 1 3 322.457 0.448 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cn1 ZINC001166010613 772778719 /nfs/dbraw/zinc/77/87/19/772778719.db2.gz PZVYWRLPMZHXPA-OAHLLOKOSA-N 1 3 307.442 0.967 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)CN2CCC[C@@H]2C)C1=O ZINC001166626088 772829919 /nfs/dbraw/zinc/82/99/19/772829919.db2.gz ALCNZHXGCBJKTH-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001166626842 772830279 /nfs/dbraw/zinc/83/02/79/772830279.db2.gz KPYKXYHCMXDCAK-CYBMUJFWSA-N 1 3 321.425 0.565 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[N@H+]2CCC[C@H]2C)n1 ZINC001166626842 772830282 /nfs/dbraw/zinc/83/02/82/772830282.db2.gz KPYKXYHCMXDCAK-CYBMUJFWSA-N 1 3 321.425 0.565 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001166677824 772839335 /nfs/dbraw/zinc/83/93/35/772839335.db2.gz NSLRHRJBJQMQFT-ZIAGYGMSSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@H](O)C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744317 772855783 /nfs/dbraw/zinc/85/57/83/772855783.db2.gz QCGYDRULWPTXIC-CYBMUJFWSA-N 1 3 303.447 0.068 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045520 772862893 /nfs/dbraw/zinc/86/28/93/772862893.db2.gz FHFDLBKLJDBHTN-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192189506 772882802 /nfs/dbraw/zinc/88/28/02/772882802.db2.gz FNQVBTLSRUEXIZ-QLFBSQMISA-N 1 3 315.458 0.113 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001192189506 772882807 /nfs/dbraw/zinc/88/28/07/772882807.db2.gz FNQVBTLSRUEXIZ-QLFBSQMISA-N 1 3 315.458 0.113 20 0 DCADHO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001205219254 772983550 /nfs/dbraw/zinc/98/35/50/772983550.db2.gz BIGJFBQGYVUOMW-OAHLLOKOSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001205219254 772983552 /nfs/dbraw/zinc/98/35/52/772983552.db2.gz BIGJFBQGYVUOMW-OAHLLOKOSA-N 1 3 302.382 0.542 20 0 DCADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(-n3ccnn3)cc2)C1 ZINC001205673995 773006316 /nfs/dbraw/zinc/00/63/16/773006316.db2.gz XBROEUHNONXVQY-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-n3ccnn3)cc2)C1 ZINC001205673995 773006321 /nfs/dbraw/zinc/00/63/21/773006321.db2.gz XBROEUHNONXVQY-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-n3ccnn3)cc2)C1 ZINC001205673995 773006328 /nfs/dbraw/zinc/00/63/28/773006328.db2.gz XBROEUHNONXVQY-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001206953421 773146950 /nfs/dbraw/zinc/14/69/50/773146950.db2.gz JJFQJONYZBCQOA-CQSZACIVSA-N 1 3 310.442 0.043 20 0 DCADHO C[N@@H+]1CC[C@@]2(CCN(CC3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001207449519 773210181 /nfs/dbraw/zinc/21/01/81/773210181.db2.gz CUYQARYGMTWXFG-OAHLLOKOSA-N 1 3 315.483 0.686 20 0 DCADHO C[N@H+]1CC[C@@]2(CCN(CC3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001207449519 773210185 /nfs/dbraw/zinc/21/01/85/773210185.db2.gz CUYQARYGMTWXFG-OAHLLOKOSA-N 1 3 315.483 0.686 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207684259 773268929 /nfs/dbraw/zinc/26/89/29/773268929.db2.gz LULIKSKBHBAYHP-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3C[C@H]2CCCN(C)C2)cn1 ZINC001208611691 773505968 /nfs/dbraw/zinc/50/59/68/773505968.db2.gz WTDUACLOWRTMEQ-CWRNSKLLSA-N 1 3 317.437 0.942 20 0 DCADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3C[C@H]2CCCN(C)C2)cn1 ZINC001208611691 773505972 /nfs/dbraw/zinc/50/59/72/773505972.db2.gz WTDUACLOWRTMEQ-CWRNSKLLSA-N 1 3 317.437 0.942 20 0 DCADHO CN1CC[C@H](N[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001209323926 773591860 /nfs/dbraw/zinc/59/18/60/773591860.db2.gz NKAHSKPJZLHSQY-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cn1 ZINC001209453873 773606137 /nfs/dbraw/zinc/60/61/37/773606137.db2.gz FPJYEODTPNMOCR-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO CC[NH+](CC)CCCNC(=S)NC1CCN(CCO)CC1 ZINC001196705962 773633912 /nfs/dbraw/zinc/63/39/12/773633912.db2.gz JXAFKJZXMSBXRT-UHFFFAOYSA-N 1 3 316.515 0.639 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001210481655 773711192 /nfs/dbraw/zinc/71/11/92/773711192.db2.gz FAJOQUMHQXJZCC-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC001210481655 773711198 /nfs/dbraw/zinc/71/11/98/773711198.db2.gz FAJOQUMHQXJZCC-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001210674036 773729115 /nfs/dbraw/zinc/72/91/15/773729115.db2.gz LYYCUMOFACCYOE-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001210674036 773729118 /nfs/dbraw/zinc/72/91/18/773729118.db2.gz LYYCUMOFACCYOE-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001210751461 773735637 /nfs/dbraw/zinc/73/56/37/773735637.db2.gz YVDZCODRUHYUHI-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269960 773789176 /nfs/dbraw/zinc/78/91/76/773789176.db2.gz WGBSVUAEMQVJSF-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H]([NH2+]CCNC(=O)c1ccccc1CN(C)C)C(N)=O ZINC001152384608 773833115 /nfs/dbraw/zinc/83/31/15/773833115.db2.gz UOZGJZFTAZSKSW-AWEZNQCLSA-N 1 3 306.410 0.332 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203904397 773917188 /nfs/dbraw/zinc/91/71/88/773917188.db2.gz VDQHHQOCOPJDHK-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214596949 773999575 /nfs/dbraw/zinc/99/95/75/773999575.db2.gz AYYPJRCPMJNQMB-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214596949 773999579 /nfs/dbraw/zinc/99/95/79/773999579.db2.gz AYYPJRCPMJNQMB-KFWWJZLASA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC001199237980 774065987 /nfs/dbraw/zinc/06/59/87/774065987.db2.gz KLFBXPCFLBYVPJ-UHFFFAOYSA-N 1 3 308.426 0.919 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001215423290 774072111 /nfs/dbraw/zinc/07/21/11/774072111.db2.gz GBIMNHWUWXGTLQ-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1N[C@H]1CCNC1=O ZINC001216834514 774140549 /nfs/dbraw/zinc/14/05/49/774140549.db2.gz QEUTUFMILVGFMC-QLFBSQMISA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216838918 774141262 /nfs/dbraw/zinc/14/12/62/774141262.db2.gz IHNRSMOIFQUINN-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO O=C(Nc1cnc(-c2ccccc2)cn1)[C@H]1C[NH2+]CC12CNC2 ZINC001218506309 774231410 /nfs/dbraw/zinc/23/14/10/774231410.db2.gz KXQBSOFYEAQIIR-CYBMUJFWSA-N 1 3 309.373 0.891 20 0 DCADHO Cc1nc(NC(=O)[C@H](N)CCC[NH3+])nc(C)c1Br ZINC001218513587 774232890 /nfs/dbraw/zinc/23/28/90/774232890.db2.gz KKJUJNDXSXYYNW-MRVPVSSYSA-N 1 3 316.203 0.861 20 0 DCADHO COc1ccc2[nH]c(NC(=O)[C@H]3C[NH2+]CC34CNC4)nc2c1 ZINC001218521693 774236076 /nfs/dbraw/zinc/23/60/76/774236076.db2.gz RNMFPPRFBXKGQV-SNVBAGLBSA-N 1 3 301.350 0.319 20 0 DCADHO O=C(Nc1n[nH]c(-c2ccncc2)n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218523060 774236176 /nfs/dbraw/zinc/23/61/76/774236176.db2.gz PIQMPZVTZFWMBK-IAQYHMDHSA-N 1 3 313.365 0.004 20 0 DCADHO O=C(Nc1ncc(C(F)(F)F)cn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218529656 774238785 /nfs/dbraw/zinc/23/87/85/774238785.db2.gz JXJLUJYJSRREAS-PRHODGIISA-N 1 3 315.299 0.633 20 0 DCADHO O=C(Nc1cccc(C(F)(F)F)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218539403 774242201 /nfs/dbraw/zinc/24/22/01/774242201.db2.gz IGMHXPPNCWSEAC-MRVPVSSYSA-N 1 3 300.284 0.848 20 0 DCADHO COC(=O)c1cc(C)cnc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218578461 774254922 /nfs/dbraw/zinc/25/49/22/774254922.db2.gz JKNWBMOLEZDGAU-GFCCVEGCSA-N 1 3 306.366 0.442 20 0 DCADHO COc1ccc(Br)c(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)n1 ZINC001218657005 774274569 /nfs/dbraw/zinc/27/45/69/774274569.db2.gz WEBHEBVZTCOXPA-SVRRBLITSA-N 1 3 315.171 0.480 20 0 DCADHO COC(=O)c1cc2cc(NC(=O)[C@@H](N)CCC[NH3+])c[nH]c-2n1 ZINC001218670825 774278402 /nfs/dbraw/zinc/27/84/02/774278402.db2.gz MIYBNCPUTQISCI-JTQLQIEISA-N 1 3 305.338 0.354 20 0 DCADHO C[C@@H]1CCc2sc(NC(=O)[C@H](N)CCC[NH3+])c(C(N)=O)c2C1 ZINC001218706806 774284851 /nfs/dbraw/zinc/28/48/51/774284851.db2.gz AWMHUNSBUIBORD-PSASIEDQSA-N 1 3 324.450 0.977 20 0 DCADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730968 774291441 /nfs/dbraw/zinc/29/14/41/774291441.db2.gz HPCPRIKRQYTVFH-ZJUUUORDSA-N 1 3 300.309 0.743 20 0 DCADHO Cc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cnc1OC(C)C ZINC001218760000 774299933 /nfs/dbraw/zinc/29/99/33/774299933.db2.gz NRYGPARLHFBVRP-CYBMUJFWSA-N 1 3 304.394 0.925 20 0 DCADHO O=C(Nc1csc(-c2ccncc2)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218765106 774299984 /nfs/dbraw/zinc/29/99/84/774299984.db2.gz TXQLRECJUFTHPV-NSHDSACASA-N 1 3 315.402 0.953 20 0 DCADHO O=C(Nc1cccc(Cn2cccn2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218848893 774315304 /nfs/dbraw/zinc/31/53/04/774315304.db2.gz YUPRZZKITGTLEK-OAHLLOKOSA-N 1 3 311.389 0.679 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001219028304 774350380 /nfs/dbraw/zinc/35/03/80/774350380.db2.gz YYTFGQUHKDIDDA-AWEZNQCLSA-N 1 3 303.362 0.628 20 0 DCADHO CN(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCCF)C1)C1CC1 ZINC001200687392 774389887 /nfs/dbraw/zinc/38/98/87/774389887.db2.gz ALKBTVNIEBUJON-CABCVRRESA-N 1 3 315.433 0.893 20 0 DCADHO Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc2snnc21 ZINC001219184593 774403680 /nfs/dbraw/zinc/40/36/80/774403680.db2.gz NQFREKUPEMPPGY-JTQLQIEISA-N 1 3 303.391 0.747 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1)N(C)C ZINC001200738669 774404084 /nfs/dbraw/zinc/40/40/84/774404084.db2.gz YHBUBUUREYSINS-CABCVRRESA-N 1 3 315.458 0.162 20 0 DCADHO COCCNc1cccc(F)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219297403 774438898 /nfs/dbraw/zinc/43/88/98/774438898.db2.gz PGELRQPOWBCRED-NSHDSACASA-N 1 3 322.384 0.632 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21 ZINC001115162576 774441568 /nfs/dbraw/zinc/44/15/68/774441568.db2.gz XKSVFTQDBAERPN-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21 ZINC001115162576 774441572 /nfs/dbraw/zinc/44/15/72/774441572.db2.gz XKSVFTQDBAERPN-QLPKVWCKSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(=O)N(C)C ZINC001201037104 774442670 /nfs/dbraw/zinc/44/26/70/774442670.db2.gz CQTFIMDFTFXVQN-ZDUSSCGKSA-N 1 3 324.469 0.528 20 0 DCADHO CC1(C)c2ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc2CNC1=O ZINC001219336166 774453435 /nfs/dbraw/zinc/45/34/35/774453435.db2.gz AFSQZAGZGNTWRI-AWEZNQCLSA-N 1 3 318.421 0.989 20 0 DCADHO O=C(Nc1ccc2[nH]c(=O)cnc2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219438764 774493385 /nfs/dbraw/zinc/49/33/85/774493385.db2.gz UYNMORXRTRQRBZ-QLJPJBMISA-N 1 3 313.361 0.061 20 0 DCADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336742 774494789 /nfs/dbraw/zinc/49/47/89/774494789.db2.gz YFCRSLIASTYUNX-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO Cn1cncc1CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336601 774494971 /nfs/dbraw/zinc/49/49/71/774494971.db2.gz WFAAOFHYTSMONO-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CC(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1)N(C)C ZINC001201344977 774497604 /nfs/dbraw/zinc/49/76/04/774497604.db2.gz YHBUBUUREYSINS-HUUCEWRRSA-N 1 3 315.458 0.162 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CCCO1 ZINC001201402082 774500876 /nfs/dbraw/zinc/50/08/76/774500876.db2.gz ANIUYUTYQKHWOJ-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201480904 774519680 /nfs/dbraw/zinc/51/96/80/774519680.db2.gz BHHDTPSROPZSIR-CQSZACIVSA-N 1 3 310.398 0.196 20 0 DCADHO C[C@@H](F)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201483725 774520774 /nfs/dbraw/zinc/52/07/74/774520774.db2.gz OIJZSHFTILSENO-OCCSQVGLSA-N 1 3 312.389 0.907 20 0 DCADHO COc1cccc([C@H](N)CC(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)c1 ZINC001219831280 774622840 /nfs/dbraw/zinc/62/28/40/774622840.db2.gz FFKFDZUEXFFOIH-MIGQKNRLSA-N 1 3 319.405 0.578 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@@H](N)CCCC[NH3+])c1ccc(O)cc1 ZINC001219885086 774637074 /nfs/dbraw/zinc/63/70/74/774637074.db2.gz GYULPVAFTZJFOO-QWHCGFSZSA-N 1 3 309.366 0.179 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCCc1nc(-c2ccccc2)no1 ZINC001219951766 774655127 /nfs/dbraw/zinc/65/51/27/774655127.db2.gz ALVKBFQIQBOGCO-ZDUSSCGKSA-N 1 3 317.393 0.852 20 0 DCADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCC[NH3+])c1ccc(OC)cc1 ZINC001219974955 774659589 /nfs/dbraw/zinc/65/95/89/774659589.db2.gz JKYUXIHJJVZOJQ-STQMWFEESA-N 1 3 309.366 0.092 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001219980193 774661620 /nfs/dbraw/zinc/66/16/20/774661620.db2.gz CZQXRYWRMGCGRX-YDHLFZDLSA-N 1 3 312.458 0.324 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001219980193 774661622 /nfs/dbraw/zinc/66/16/22/774661622.db2.gz CZQXRYWRMGCGRX-YDHLFZDLSA-N 1 3 312.458 0.324 20 0 DCADHO COC(=O)C1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCCC1 ZINC001220048652 774680417 /nfs/dbraw/zinc/68/04/17/774680417.db2.gz TYRVZNSZGLAREK-LBPRGKRZSA-N 1 3 309.410 0.463 20 0 DCADHO COC(=O)C1(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCCC1 ZINC001220048652 774680419 /nfs/dbraw/zinc/68/04/19/774680419.db2.gz TYRVZNSZGLAREK-LBPRGKRZSA-N 1 3 309.410 0.463 20 0 DCADHO CCOC(=O)C(F)(F)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220096524 774692901 /nfs/dbraw/zinc/69/29/01/774692901.db2.gz ALQNXHWLKLDERN-SNVBAGLBSA-N 1 3 319.352 0.175 20 0 DCADHO CCOC(=O)C(F)(F)CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220096524 774692904 /nfs/dbraw/zinc/69/29/04/774692904.db2.gz ALQNXHWLKLDERN-SNVBAGLBSA-N 1 3 319.352 0.175 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001202495524 774721237 /nfs/dbraw/zinc/72/12/37/774721237.db2.gz FWUQCJJDPZBOIH-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H](N)C2CC[NH2+]CC2)CCCC1 ZINC001220217117 774737472 /nfs/dbraw/zinc/73/74/72/774737472.db2.gz LTNKTTPEESWUNR-CQSZACIVSA-N 1 3 309.410 0.821 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)C[NH+](C)C ZINC001220253752 774746750 /nfs/dbraw/zinc/74/67/50/774746750.db2.gz BKGNEZHPZLQRMP-AAEUAGOBSA-N 1 3 300.447 0.180 20 0 DCADHO COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220628175 774868719 /nfs/dbraw/zinc/86/87/19/774868719.db2.gz UCPVGYSSMRSTJQ-BBRMVZONSA-N 1 3 307.394 0.343 20 0 DCADHO COc1cc(F)cc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001220665953 774881618 /nfs/dbraw/zinc/88/16/18/774881618.db2.gz NSRBXLJEVZIECP-MLGOLLRUSA-N 1 3 307.369 0.650 20 0 DCADHO CC(C)(F)c1ncncc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220673510 774885493 /nfs/dbraw/zinc/88/54/93/774885493.db2.gz BBYODMAGMJJXFO-JTQLQIEISA-N 1 3 315.418 0.317 20 0 DCADHO CC(C)(C)NC(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220709478 774898183 /nfs/dbraw/zinc/89/81/83/774898183.db2.gz YYIZFBUBTFAPNN-GFCCVEGCSA-N 1 3 310.442 0.282 20 0 DCADHO CC(C)(C)NC(=O)CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220709478 774898191 /nfs/dbraw/zinc/89/81/91/774898191.db2.gz YYIZFBUBTFAPNN-GFCCVEGCSA-N 1 3 310.442 0.282 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001114488194 774898237 /nfs/dbraw/zinc/89/82/37/774898237.db2.gz IPKKDJSPBFUNAC-KBXIAJHMSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]21 ZINC001114488194 774898232 /nfs/dbraw/zinc/89/82/32/774898232.db2.gz IPKKDJSPBFUNAC-KBXIAJHMSA-N 1 3 311.470 0.924 20 0 DCADHO NCc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)cn1 ZINC001220805773 774920301 /nfs/dbraw/zinc/92/03/01/774920301.db2.gz VFJPCZQMPBYKMQ-GHMZBOCLSA-N 1 3 302.300 0.811 20 0 DCADHO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001220896579 774947480 /nfs/dbraw/zinc/94/74/80/774947480.db2.gz QMGKKCBNDXMBEF-JKSUJKDBSA-N 1 3 303.406 0.735 20 0 DCADHO COC(=O)C[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ccccn1 ZINC001220900280 774947501 /nfs/dbraw/zinc/94/75/01/774947501.db2.gz GBIPDPRYCRBTBO-UKRRQHHQSA-N 1 3 320.393 0.129 20 0 DCADHO CCc1ccc(CN(CC[NH3+])C(=O)[C@H](N)Cc2c[nH]cn2)cc1 ZINC001220903384 774949267 /nfs/dbraw/zinc/94/92/67/774949267.db2.gz SCJVIMGQWMDYNB-MRXNPFEDSA-N 1 3 315.421 0.829 20 0 DCADHO Cc1cc2c(cn1)[C@H](NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001220960471 774963008 /nfs/dbraw/zinc/96/30/08/774963008.db2.gz PJOBHVSJSJGPSJ-FRFSOERESA-N 1 3 300.406 0.693 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972616 774965911 /nfs/dbraw/zinc/96/59/11/774965911.db2.gz IOWRSRJPTVTBGO-AWEZNQCLSA-N 1 3 305.426 0.790 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972616 774965913 /nfs/dbraw/zinc/96/59/13/774965913.db2.gz IOWRSRJPTVTBGO-AWEZNQCLSA-N 1 3 305.426 0.790 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H](c1cncc(F)c1)C1CC1 ZINC001221049043 774985677 /nfs/dbraw/zinc/98/56/77/774985677.db2.gz KQBCTECTDCELII-QWHCGFSZSA-N 1 3 312.414 0.807 20 0 DCADHO O=C(NCc1ccnn1CCF)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221105912 774996775 /nfs/dbraw/zinc/99/67/75/774996775.db2.gz GCWMRAQKMGIFHC-ZDUSSCGKSA-N 1 3 309.389 0.343 20 0 DCADHO O=C(NCc1ccnn1CCF)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221105912 774996776 /nfs/dbraw/zinc/99/67/76/774996776.db2.gz GCWMRAQKMGIFHC-ZDUSSCGKSA-N 1 3 309.389 0.343 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001221156055 775010998 /nfs/dbraw/zinc/01/09/98/775010998.db2.gz WWNMLPVJIRZAKD-AWEZNQCLSA-N 1 3 319.409 0.289 20 0 DCADHO C[NH+](C)C1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)CCCC1 ZINC001110862625 775065731 /nfs/dbraw/zinc/06/57/31/775065731.db2.gz ZDTNJOCSBWHWOM-KFWWJZLASA-N 1 3 309.454 0.965 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221391306 775083765 /nfs/dbraw/zinc/08/37/65/775083765.db2.gz LHDNMDYWHLGVPL-IUODEOHRSA-N 1 3 304.438 0.800 20 0 DCADHO COc1cccc([C@@H](C[NH3+])NC(=O)c2[nH]nc3c2CCNC3)c1 ZINC001221406015 775090179 /nfs/dbraw/zinc/09/01/79/775090179.db2.gz PXBNNLAFJIYDGS-CYBMUJFWSA-N 1 3 315.377 0.494 20 0 DCADHO C[C@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046437 775251721 /nfs/dbraw/zinc/25/17/21/775251721.db2.gz CVIPHGRPHWHEJF-ARFHVFGLSA-N 1 3 309.454 0.776 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001228255494 776059331 /nfs/dbraw/zinc/05/93/31/776059331.db2.gz YJPIUEGTBTUVNX-HUUCEWRRSA-N 1 3 324.469 0.624 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001229184809 776166695 /nfs/dbraw/zinc/16/66/95/776166695.db2.gz CAGIDGCONHTBMR-ZFWWWQNUSA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001229932882 776237194 /nfs/dbraw/zinc/23/71/94/776237194.db2.gz BMQWKHFNXOCOFX-BFHYXJOUSA-N 1 3 324.425 0.285 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001230284381 776275529 /nfs/dbraw/zinc/27/55/29/776275529.db2.gz BHFXFKJRFKKLCS-RBSFLKMASA-N 1 3 324.469 0.574 20 0 DCADHO CN(C)C(=O)[C@@H]1COCCC12C[NH+](C[C@@H]1CCCN(C)C1)C2 ZINC001278149089 945155615 /nfs/dbraw/zinc/15/56/15/945155615.db2.gz WFRQYCWXAGOMBJ-CABCVRRESA-N 1 3 309.454 0.755 20 0 DCADHO CNC(=O)CNCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001317669052 945156139 /nfs/dbraw/zinc/15/61/39/945156139.db2.gz GLUVPHBDGOTDAX-UHFFFAOYSA-N 1 3 306.410 0.156 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC001278302300 945212800 /nfs/dbraw/zinc/21/28/00/945212800.db2.gz VNPPJHRNWXHQIW-OCCSQVGLSA-N 1 3 310.398 0.194 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001266744435 939227807 /nfs/dbraw/zinc/22/78/07/939227807.db2.gz QVYMZZZAQKTBIK-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798163 939239317 /nfs/dbraw/zinc/23/93/17/939239317.db2.gz LPZWPWRNAKEXQC-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001408594642 939410661 /nfs/dbraw/zinc/41/06/61/939410661.db2.gz AWVNYCSZKNOFKZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001408594642 939410662 /nfs/dbraw/zinc/41/06/62/939410662.db2.gz AWVNYCSZKNOFKZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@H]1CCCN1C ZINC001267414767 939450139 /nfs/dbraw/zinc/45/01/39/939450139.db2.gz PLWMONNOXSRBIJ-CQSZACIVSA-N 1 3 306.410 0.028 20 0 DCADHO CN(CCNCC(=O)NCC1CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267412877 939450381 /nfs/dbraw/zinc/45/03/81/939450381.db2.gz SKFFETHFQGCMOM-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001408693944 939578687 /nfs/dbraw/zinc/57/86/87/939578687.db2.gz UHYHWNJSTQGVMZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001408693944 939578688 /nfs/dbraw/zinc/57/86/88/939578688.db2.gz UHYHWNJSTQGVMZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001481231768 939655033 /nfs/dbraw/zinc/65/50/33/939655033.db2.gz OFHKLESLVQFQEH-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO COc1ccc(CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001481231768 939655035 /nfs/dbraw/zinc/65/50/35/939655035.db2.gz OFHKLESLVQFQEH-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001481304177 939734117 /nfs/dbraw/zinc/73/41/17/939734117.db2.gz LDTJFLJMEITEPD-ZDUSSCGKSA-N 1 3 315.849 0.925 20 0 DCADHO COc1ncc(CNCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001481315256 939742587 /nfs/dbraw/zinc/74/25/87/939742587.db2.gz UGEDUQUSYUQBLS-ZDUSSCGKSA-N 1 3 321.425 0.293 20 0 DCADHO COc1ncc(CNCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001481315256 939742588 /nfs/dbraw/zinc/74/25/88/939742588.db2.gz UGEDUQUSYUQBLS-ZDUSSCGKSA-N 1 3 321.425 0.293 20 0 DCADHO CCN1CC[C@@H](N2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)C1=O ZINC001481448439 939796710 /nfs/dbraw/zinc/79/67/10/939796710.db2.gz YHOJLGNRWGEQBA-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1n[nH]c(C)n1 ZINC001481821149 940150182 /nfs/dbraw/zinc/15/01/82/940150182.db2.gz LTZZOEAFKWXPSP-KGLIPLIRSA-N 1 3 322.457 0.972 20 0 DCADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1n[nH]c(C)n1 ZINC001481821149 940150184 /nfs/dbraw/zinc/15/01/84/940150184.db2.gz LTZZOEAFKWXPSP-KGLIPLIRSA-N 1 3 322.457 0.972 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+][C@H]2CCN(C)C2=O)CCCC1)N(C)C ZINC001481900245 940176924 /nfs/dbraw/zinc/17/69/24/940176924.db2.gz RTIMSPFVBNRTFP-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001482006562 940205732 /nfs/dbraw/zinc/20/57/32/940205732.db2.gz BPSBMYOZXBEEAJ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO O[C@@H](CN[C@H]1CNCc2ccsc21)CC1(O)CC[NH2+]CC1 ZINC001245981270 945305346 /nfs/dbraw/zinc/30/53/46/945305346.db2.gz FWUICCMUSJEGHT-OLZOCXBDSA-N 1 3 311.451 0.348 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1C ZINC001482170128 940291864 /nfs/dbraw/zinc/29/18/64/940291864.db2.gz ZJFNXCQISSIIEZ-JSGCOSHPSA-N 1 3 307.442 0.522 20 0 DCADHO Cc1cc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1C ZINC001482170128 940291871 /nfs/dbraw/zinc/29/18/71/940291871.db2.gz ZJFNXCQISSIIEZ-JSGCOSHPSA-N 1 3 307.442 0.522 20 0 DCADHO CC(C)(C)OC(=O)[C@@H](N)CCCC[NH2+]C[C@]1(O)CCCNC1 ZINC001246013018 945315342 /nfs/dbraw/zinc/31/53/42/945315342.db2.gz FCYBQHZQAHKMTR-XJKSGUPXSA-N 1 3 315.458 0.530 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[NH2+]C(C)(C)C ZINC001318304123 945317402 /nfs/dbraw/zinc/31/74/02/945317402.db2.gz DJGHTJCLKAEFOA-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCNC2)cc1 ZINC001246012476 945313238 /nfs/dbraw/zinc/31/32/38/945313238.db2.gz ZZVMAZVTODQXTM-CVEARBPZSA-N 1 3 308.422 0.957 20 0 DCADHO CCN(CC)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409992188 945313970 /nfs/dbraw/zinc/31/39/70/945313970.db2.gz FXAPBBYVYVQGJX-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO CCN(CC)CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001409992188 945313978 /nfs/dbraw/zinc/31/39/78/945313978.db2.gz FXAPBBYVYVQGJX-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246007895 945314798 /nfs/dbraw/zinc/31/47/98/945314798.db2.gz LXGMTCLIZPGABR-KBPBESRZSA-N 1 3 309.410 0.307 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001246010718 945315014 /nfs/dbraw/zinc/31/50/14/945315014.db2.gz ZEDHGLWTSIZDLT-OCCSQVGLSA-N 1 3 313.373 0.138 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268914818 940407786 /nfs/dbraw/zinc/40/77/86/940407786.db2.gz FXKPWOIAVAYOSI-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268914818 940407788 /nfs/dbraw/zinc/40/77/88/940407788.db2.gz FXKPWOIAVAYOSI-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO O[C@@]1(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)CCNC[C@@H]1F ZINC001246082328 945334427 /nfs/dbraw/zinc/33/44/27/945334427.db2.gz LPWDJENTWKJZCA-YESZJQIVSA-N 1 3 307.413 0.913 20 0 DCADHO C[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CCCC1)N1CCCCCC1 ZINC001482230937 940730041 /nfs/dbraw/zinc/73/00/41/940730041.db2.gz DYNPBGLGHXYPIR-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@H](C(=O)NCC1([NH2+]CC(N)=O)CCCC1)N1CCCCCC1 ZINC001482230938 940730258 /nfs/dbraw/zinc/73/02/58/940730258.db2.gz DYNPBGLGHXYPIR-CQSZACIVSA-N 1 3 324.469 0.755 20 0 DCADHO CN(CCOCC[NH2+]Cc1cncn1C)C(=O)[C@@H]1CCCN1C ZINC001284855220 940855334 /nfs/dbraw/zinc/85/53/34/940855334.db2.gz YYOUOYRYEKMANX-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001482282858 940887673 /nfs/dbraw/zinc/88/76/73/940887673.db2.gz ADXOSOMTQWZCRJ-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001482282858 940887675 /nfs/dbraw/zinc/88/76/75/940887675.db2.gz ADXOSOMTQWZCRJ-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293738 940915238 /nfs/dbraw/zinc/91/52/38/940915238.db2.gz YOGKDLHTOAMWLB-CYBMUJFWSA-N 1 3 308.430 0.199 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482323296 940979444 /nfs/dbraw/zinc/97/94/44/940979444.db2.gz MOJZEBSDVKRRIC-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](C[NH2+]CCn1cccn1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001482330070 940999308 /nfs/dbraw/zinc/99/93/08/940999308.db2.gz GTMYZDQLVPBVBY-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO CC(C)C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001482386320 941033361 /nfs/dbraw/zinc/03/33/61/941033361.db2.gz SNCISJRUPNWKCW-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001482433602 941219555 /nfs/dbraw/zinc/21/95/55/941219555.db2.gz LCAJUNDDENBCGS-OCCSQVGLSA-N 1 3 321.425 0.305 20 0 DCADHO CN(CC(=O)N1CCCC[C@@H]1CC[NH2+]CC(N)=O)C1CCC1 ZINC001482451018 941247786 /nfs/dbraw/zinc/24/77/86/941247786.db2.gz QEONFWNQACRFRG-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001409087017 941459081 /nfs/dbraw/zinc/45/90/81/941459081.db2.gz MRSBFTITVJTQLG-CQSZACIVSA-N 1 3 324.469 0.241 20 0 DCADHO Cc1cc(CN[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)ncn1 ZINC001482569630 941510343 /nfs/dbraw/zinc/51/03/43/941510343.db2.gz CTOAEIOXKJWUQW-GDBMZVCRSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1cc(CN[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)C)ncn1 ZINC001482569630 941510345 /nfs/dbraw/zinc/51/03/45/941510345.db2.gz CTOAEIOXKJWUQW-GDBMZVCRSA-N 1 3 319.453 0.967 20 0 DCADHO CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001482667953 941615907 /nfs/dbraw/zinc/61/59/07/941615907.db2.gz ULERUSHNQYVBBD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]21 ZINC001482667953 941615910 /nfs/dbraw/zinc/61/59/10/941615910.db2.gz ULERUSHNQYVBBD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001482839663 941686186 /nfs/dbraw/zinc/68/61/86/941686186.db2.gz LZZDHTIJTJSBKU-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C)C1=O ZINC001482901279 941702012 /nfs/dbraw/zinc/70/20/12/941702012.db2.gz JPFPUOGCEGETDP-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)[C@H]1CCCN1C ZINC001482943095 941720011 /nfs/dbraw/zinc/72/00/11/941720011.db2.gz XOJFKQHDAXPGMO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482949556 941725193 /nfs/dbraw/zinc/72/51/93/941725193.db2.gz ZMBKYCKUPIJWMA-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482949556 941725195 /nfs/dbraw/zinc/72/51/95/941725195.db2.gz ZMBKYCKUPIJWMA-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCNCC(=O)NCC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001482963094 941728539 /nfs/dbraw/zinc/72/85/39/941728539.db2.gz FLXDZHIIILFSMK-UHFFFAOYSA-N 1 3 322.453 0.047 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409401545 941979838 /nfs/dbraw/zinc/97/98/38/941979838.db2.gz LKUBMASWKJUFOV-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083593550 942024720 /nfs/dbraw/zinc/02/47/20/942024720.db2.gz RGOXWSMLDRVVEQ-OAGGEKHMSA-N 1 3 309.454 0.678 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083593550 942024721 /nfs/dbraw/zinc/02/47/21/942024721.db2.gz RGOXWSMLDRVVEQ-OAGGEKHMSA-N 1 3 309.454 0.678 20 0 DCADHO O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001412854460 942107929 /nfs/dbraw/zinc/10/79/29/942107929.db2.gz KBXMMCSMVPIWAW-GJZGRUSLSA-N 1 3 318.421 0.481 20 0 DCADHO CO[C@H](C)CN1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607049 942136077 /nfs/dbraw/zinc/13/60/77/942136077.db2.gz CLUPUANOEBYCOZ-DFBGVHRSSA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607049 942136081 /nfs/dbraw/zinc/13/60/81/942136081.db2.gz CLUPUANOEBYCOZ-DFBGVHRSSA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607049 942136084 /nfs/dbraw/zinc/13/60/84/942136084.db2.gz CLUPUANOEBYCOZ-DFBGVHRSSA-N 1 3 318.377 0.144 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483252129 942208643 /nfs/dbraw/zinc/20/86/43/942208643.db2.gz ONZORGORMHURGE-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483252129 942208647 /nfs/dbraw/zinc/20/86/47/942208647.db2.gz ONZORGORMHURGE-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](C(=O)N[C@@H](C)CNCC(=O)NC1CC1)[NH+]1CCCCCC1 ZINC001483271223 942223952 /nfs/dbraw/zinc/22/39/52/942223952.db2.gz QAZQAXYPUXIWJS-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO O=C1COCC2(CC[NH+](C3CCN(CC4CC4)CC3)CC2)N1 ZINC001168377794 942474835 /nfs/dbraw/zinc/47/48/35/942474835.db2.gz IEBCYLMQDWFNCU-UHFFFAOYSA-N 1 3 307.438 0.842 20 0 DCADHO C[N@@H+]1CC[C@@H](NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1(C)C ZINC001413186707 942547519 /nfs/dbraw/zinc/54/75/19/942547519.db2.gz OOJQDWMVKPKNKS-HLLBOEOZSA-N 1 3 311.470 0.675 20 0 DCADHO C[N@H+]1CC[C@@H](NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1(C)C ZINC001413186707 942547524 /nfs/dbraw/zinc/54/75/24/942547524.db2.gz OOJQDWMVKPKNKS-HLLBOEOZSA-N 1 3 311.470 0.675 20 0 DCADHO CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cn(C)nn1 ZINC001483622401 942555319 /nfs/dbraw/zinc/55/53/19/942555319.db2.gz SUCABXUKUWQRMQ-ZFWWWQNUSA-N 1 3 322.457 0.484 20 0 DCADHO Cn1ccc(CNCC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001272556539 942824258 /nfs/dbraw/zinc/82/42/58/942824258.db2.gz TYASANQMTXHRIL-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO O=C(NC[C@H](O)CNCC=C(Cl)Cl)C12CC[NH+](CC1)C2 ZINC001272558991 942826679 /nfs/dbraw/zinc/82/66/79/942826679.db2.gz DLZUFFMREPQAKW-SNVBAGLBSA-N 1 3 322.236 0.468 20 0 DCADHO CN(C1CC[NH+]([C@@H]2CCCN(C)CC2)CC1)S(C)(=O)=O ZINC001254524930 943093955 /nfs/dbraw/zinc/09/39/55/943093955.db2.gz DTGUXCTWZSPIEZ-CQSZACIVSA-N 1 3 303.472 0.827 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001484382301 943346966 /nfs/dbraw/zinc/34/69/66/943346966.db2.gz GQFJPFGJQWNSIH-KBPBESRZSA-N 1 3 312.458 0.101 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1)N(C)C ZINC001484547136 943449078 /nfs/dbraw/zinc/44/90/78/943449078.db2.gz NKAWQOWMBGAUBE-CABCVRRESA-N 1 3 322.457 0.447 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CCOCCO)CC1)N(C)C ZINC001484926946 943625510 /nfs/dbraw/zinc/62/55/10/943625510.db2.gz KOPAKDDWVZZAMU-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001484994246 943649239 /nfs/dbraw/zinc/64/92/39/943649239.db2.gz AHDGDJIGPJLAFE-IHRRRGAJSA-N 1 3 314.474 0.534 20 0 DCADHO COc1cc(CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)sn1 ZINC001490925119 943679287 /nfs/dbraw/zinc/67/92/87/943679287.db2.gz WXPWQWNOAAMTDU-XYPYZODXSA-N 1 3 312.439 0.840 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001491081178 943737961 /nfs/dbraw/zinc/73/79/61/943737961.db2.gz YSZZERFWBQLJRL-MJBXVCDLSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001491486098 944037018 /nfs/dbraw/zinc/03/70/18/944037018.db2.gz AQEIITWNRBERPV-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001491486098 944037027 /nfs/dbraw/zinc/03/70/27/944037027.db2.gz AQEIITWNRBERPV-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001485687038 944082437 /nfs/dbraw/zinc/08/24/37/944082437.db2.gz PMNOKEBYKPIMOI-XUXIUFHCSA-N 1 3 312.458 0.192 20 0 DCADHO C[C@@H]1CN(c2ccc(N[C@H]3CN4CCC3CC4)nn2)CC[NH2+]1 ZINC001163386472 944157585 /nfs/dbraw/zinc/15/75/85/944157585.db2.gz TWINUPLCCQUIPQ-OCCSQVGLSA-N 1 3 302.426 0.781 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366875740 944183006 /nfs/dbraw/zinc/18/30/06/944183006.db2.gz WZYPXOIUNIDDBS-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366875740 944183007 /nfs/dbraw/zinc/18/30/07/944183007.db2.gz WZYPXOIUNIDDBS-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO CN1CCN(CC(C)(C)C[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001276658573 944251734 /nfs/dbraw/zinc/25/17/34/944251734.db2.gz QMNJGHOOLKCBGK-QGZVFWFLSA-N 1 3 310.486 0.861 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001485833923 944263644 /nfs/dbraw/zinc/26/36/44/944263644.db2.gz NGCODUXDWPOJMX-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001485833923 944263653 /nfs/dbraw/zinc/26/36/53/944263653.db2.gz NGCODUXDWPOJMX-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NCC(=O)NC)C1 ZINC001485912157 944399837 /nfs/dbraw/zinc/39/98/37/944399837.db2.gz MIVHIPPSXPJWPS-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)NCC(=O)NC)C1 ZINC001485912157 944399846 /nfs/dbraw/zinc/39/98/46/944399846.db2.gz MIVHIPPSXPJWPS-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001486131355 944585299 /nfs/dbraw/zinc/58/52/99/944585299.db2.gz UXYNRCNSKZATHF-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CCCNC(=O)CC[NH+]1CCCCC1)[C@H]1CCCNC1=O ZINC001316870525 944605562 /nfs/dbraw/zinc/60/55/62/944605562.db2.gz PTNKOBDFMOYXDT-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CN(C[C@H](O)CNC/C=C\Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486311680 944772680 /nfs/dbraw/zinc/77/26/80/944772680.db2.gz NOPYJYOKTWHQKV-UNIPXTFRSA-N 1 3 303.834 0.490 20 0 DCADHO CN(C[C@H](O)CNC/C=C\Cl)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486311680 944772687 /nfs/dbraw/zinc/77/26/87/944772687.db2.gz NOPYJYOKTWHQKV-UNIPXTFRSA-N 1 3 303.834 0.490 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277355614 944782683 /nfs/dbraw/zinc/78/26/83/944782683.db2.gz KYIMDHCIUYOUAG-CHWSQXEVSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@H](CCCNCc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277355614 944782686 /nfs/dbraw/zinc/78/26/86/944782686.db2.gz KYIMDHCIUYOUAG-CHWSQXEVSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCOCC(F)F)C2)C1 ZINC001317119921 944806605 /nfs/dbraw/zinc/80/66/05/944806605.db2.gz LJJOFAGTPPTSIH-UPJWGTAASA-N 1 3 319.396 0.847 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001491558974 944869493 /nfs/dbraw/zinc/86/94/93/944869493.db2.gz IPQXFMKPXRVKBG-MDZLAQPJSA-N 1 3 308.430 0.438 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001491558974 944869503 /nfs/dbraw/zinc/86/95/03/944869503.db2.gz IPQXFMKPXRVKBG-MDZLAQPJSA-N 1 3 308.430 0.438 20 0 DCADHO CNC(=O)C(C)(C)[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001277638873 944923692 /nfs/dbraw/zinc/92/36/92/944923692.db2.gz JMIAEOUETMBGFM-UHFFFAOYSA-N 1 3 319.453 0.806 20 0 DCADHO CN(C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)C(=O)CC[NH+](C)C ZINC001486574847 944970961 /nfs/dbraw/zinc/97/09/61/944970961.db2.gz YWHMJTKVUWKMAK-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CCN(CC)C(=O)CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001277903265 945030809 /nfs/dbraw/zinc/03/08/09/945030809.db2.gz LEQHTFQBYFKEBH-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CCN3CC2(C)COC2)CC1 ZINC001277933765 945045459 /nfs/dbraw/zinc/04/54/59/945045459.db2.gz KYIZISMUAXJAEN-SUMWQHHRSA-N 1 3 307.438 0.698 20 0 DCADHO CCOC(=O)C1=C(NC2CCC(N3CCOCC3)CC2)C[NH2+]C1 ZINC001246347837 945389283 /nfs/dbraw/zinc/38/92/83/945389283.db2.gz GGXRFPHMJLYZKK-UHFFFAOYSA-N 1 3 323.437 0.640 20 0 DCADHO COC(=O)CC1(N[C@H]2CCN[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001246362981 945393610 /nfs/dbraw/zinc/39/36/10/945393610.db2.gz JOCTZEMERQXJMR-WDEREUQCSA-N 1 3 323.359 0.944 20 0 DCADHO c1nc(CN[C@H]2CCNC3(C[NH2+]C3)C2)cn1Cc1ccccn1 ZINC001246420255 945406363 /nfs/dbraw/zinc/40/63/63/945406363.db2.gz KEVLTFBKPAXZDI-AWEZNQCLSA-N 1 3 312.421 0.510 20 0 DCADHO CC(C)(C)[C@@H]1C[C@@H](N2CCOC[C@@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246599328 945442305 /nfs/dbraw/zinc/44/23/05/945442305.db2.gz CGAZEAKNUDUVOV-YQQAZPJKSA-N 1 3 311.470 0.844 20 0 DCADHO O=C(c1nn([C@@H]2CCC[NH2+]C2)c2c1CNCC2)N1CCCC1 ZINC001246700568 945465077 /nfs/dbraw/zinc/46/50/77/945465077.db2.gz MCWHIYKOVYEIKU-GFCCVEGCSA-N 1 3 303.410 0.689 20 0 DCADHO Cn1cc(N2CC[C@]3(CC[N@@H+](C4CCNCC4)C3)C2=O)cn1 ZINC001246722585 945472433 /nfs/dbraw/zinc/47/24/33/945472433.db2.gz ROBNHVQWRXGBDQ-INIZCTEOSA-N 1 3 303.410 0.601 20 0 DCADHO Cn1cc(N2CC[C@]3(CC[N@H+](C4CCNCC4)C3)C2=O)cn1 ZINC001246722585 945472436 /nfs/dbraw/zinc/47/24/36/945472436.db2.gz ROBNHVQWRXGBDQ-INIZCTEOSA-N 1 3 303.410 0.601 20 0 DCADHO CN1CCN(C(=O)C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC001246807882 945494162 /nfs/dbraw/zinc/49/41/62/945494162.db2.gz UTNDPVCVMJEPOL-SJPCQFCGSA-N 1 3 320.481 0.755 20 0 DCADHO COCCC[N@H+](C1CCNCC1)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246834697 945500589 /nfs/dbraw/zinc/50/05/89/945500589.db2.gz FVHDPTMFRWPWBK-GJZGRUSLSA-N 1 3 313.442 0.371 20 0 DCADHO COCCC[N@@H+](C1CCNCC1)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246834697 945500597 /nfs/dbraw/zinc/50/05/97/945500597.db2.gz FVHDPTMFRWPWBK-GJZGRUSLSA-N 1 3 313.442 0.371 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246874352 945509481 /nfs/dbraw/zinc/50/94/81/945509481.db2.gz SSZZLPBPRVZUOR-HLLBOEOZSA-N 1 3 324.469 0.025 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246886359 945512947 /nfs/dbraw/zinc/51/29/47/945512947.db2.gz KEHPARUQYUPTCZ-NVXWUHKLSA-N 1 3 324.469 0.040 20 0 DCADHO COCOc1ccccc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247849944 945576848 /nfs/dbraw/zinc/57/68/48/945576848.db2.gz FFAKURTYSGBVIP-UHFFFAOYSA-N 1 3 316.361 0.780 20 0 DCADHO COc1ccc(F)cc1-c1noc(C23CNCC2C[NH2+]C3)n1 ZINC001247849991 945578140 /nfs/dbraw/zinc/57/81/40/945578140.db2.gz FQSHWEAHAJMUBN-UHFFFAOYSA-N 1 3 304.325 0.945 20 0 DCADHO Cn1ncc2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc21 ZINC001247852035 945579003 /nfs/dbraw/zinc/57/90/03/945579003.db2.gz PRWAJDKWFHFTKO-UHFFFAOYSA-N 1 3 310.361 0.684 20 0 DCADHO c1cc(-c2noc(CO[C@H]3CC[NH2+]C3)n2)nc2c1CNCC2 ZINC001249271778 945626852 /nfs/dbraw/zinc/62/68/52/945626852.db2.gz KEFPSYVZKLOVKQ-NSHDSACASA-N 1 3 301.350 0.656 20 0 DCADHO C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC001319855937 945681738 /nfs/dbraw/zinc/68/17/38/945681738.db2.gz LRYUBEQVKIBZLJ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC001319855937 945681741 /nfs/dbraw/zinc/68/17/41/945681741.db2.gz LRYUBEQVKIBZLJ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO C[N@H+](CCO)CCCNC[C@H](O)COc1ccc(F)cc1F ZINC001250888309 945688201 /nfs/dbraw/zinc/68/82/01/945688201.db2.gz MQEARXHZNOTNKW-ZDUSSCGKSA-N 1 3 318.364 0.608 20 0 DCADHO C[N@@H+](CCO)CCCNC[C@H](O)COc1ccc(F)cc1F ZINC001250888309 945688207 /nfs/dbraw/zinc/68/82/07/945688207.db2.gz MQEARXHZNOTNKW-ZDUSSCGKSA-N 1 3 318.364 0.608 20 0 DCADHO CCn1nncc1C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001320448715 945882734 /nfs/dbraw/zinc/88/27/34/945882734.db2.gz XGAAWMRNJMHTAS-CYBMUJFWSA-N 1 3 322.457 0.767 20 0 DCADHO CN1C(=O)CC[C@@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252945955 946039881 /nfs/dbraw/zinc/03/98/81/946039881.db2.gz KDUCQBVWLCWDCZ-SJLPKXTDSA-N 1 3 317.433 0.834 20 0 DCADHO CN1C(=O)CC[C@@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945955 946039890 /nfs/dbraw/zinc/03/98/90/946039890.db2.gz KDUCQBVWLCWDCZ-SJLPKXTDSA-N 1 3 317.433 0.834 20 0 DCADHO CCCNC(=O)CNCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001320891485 946059052 /nfs/dbraw/zinc/05/90/52/946059052.db2.gz KHACVJGRWIZTPH-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cncn2C)C1)C1CCC1 ZINC001410232979 946070339 /nfs/dbraw/zinc/07/03/39/946070339.db2.gz FVAWXPBWJNKREL-HDJSIYSDSA-N 1 3 319.453 0.889 20 0 DCADHO Nc1ccncc1-c1cn(C[C@H]2C[C@@]3(CO2)CCC[NH2+]C3)nn1 ZINC001254067382 946230744 /nfs/dbraw/zinc/23/07/44/946230744.db2.gz HXZIJAMXXUDAEY-WBMJQRKESA-N 1 3 314.393 0.911 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410371697 946266222 /nfs/dbraw/zinc/26/62/22/946266222.db2.gz NUDBDCHWEAWJBE-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCn1cncn1 ZINC001321418844 946322833 /nfs/dbraw/zinc/32/28/33/946322833.db2.gz KGVKJVGOCJVOTN-XVWMLYKFSA-N 1 3 320.441 0.415 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001321418327 946324144 /nfs/dbraw/zinc/32/41/44/946324144.db2.gz BNROTCQZILKIHN-WHJWBVKISA-N 1 3 324.469 0.503 20 0 DCADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC[C@@H](O)C[NH3+])CCO2 ZINC001254798267 946432175 /nfs/dbraw/zinc/43/21/75/946432175.db2.gz GSOVYYHSXJABBU-RYUDHWBXSA-N 1 3 315.414 0.064 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCCN([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254866550 946443044 /nfs/dbraw/zinc/44/30/44/946443044.db2.gz ALUZISHVWLVOSY-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC3CCN(CC3)C2)C1 ZINC001254866550 946443052 /nfs/dbraw/zinc/44/30/52/946443052.db2.gz ALUZISHVWLVOSY-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC3CCN(CC3)C2)C1 ZINC001254866550 946443061 /nfs/dbraw/zinc/44/30/61/946443061.db2.gz ALUZISHVWLVOSY-CVEARBPZSA-N 1 3 308.470 0.613 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001410481785 946476401 /nfs/dbraw/zinc/47/64/01/946476401.db2.gz YCSLMJPEGXSCBO-JSGCOSHPSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001410502039 946491774 /nfs/dbraw/zinc/49/17/74/946491774.db2.gz IMNTVGUODHWENU-AWEZNQCLSA-N 1 3 322.453 0.662 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCO1 ZINC001273316679 946495803 /nfs/dbraw/zinc/49/58/03/946495803.db2.gz UUWNEHIAMJSVHO-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC001273322959 946626155 /nfs/dbraw/zinc/62/61/55/946626155.db2.gz KPZZVJVBJQJOMF-ZFWWWQNUSA-N 1 3 322.409 0.196 20 0 DCADHO CN1CCN(C)C2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC001256622583 946649672 /nfs/dbraw/zinc/64/96/72/946649672.db2.gz LAGMMFFMDIGWNF-XYPWUTKMSA-N 1 3 320.481 0.850 20 0 DCADHO CN1CCN(C)C2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001256622583 946649679 /nfs/dbraw/zinc/64/96/79/946649679.db2.gz LAGMMFFMDIGWNF-XYPWUTKMSA-N 1 3 320.481 0.850 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)C1=O ZINC001322442431 946681107 /nfs/dbraw/zinc/68/11/07/946681107.db2.gz LPYBHQVUCQZFAU-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001257916136 946780142 /nfs/dbraw/zinc/78/01/42/946780142.db2.gz UGJCFDWPXGMICB-RWMBFGLXSA-N 1 3 320.455 0.602 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC001257916136 946780154 /nfs/dbraw/zinc/78/01/54/946780154.db2.gz UGJCFDWPXGMICB-RWMBFGLXSA-N 1 3 320.455 0.602 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001322796305 946808282 /nfs/dbraw/zinc/80/82/82/946808282.db2.gz NIUXIWZSVLNCFH-CHWSQXEVSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)CC[N@H+](C)CC)N(C)C ZINC001410771366 946918389 /nfs/dbraw/zinc/91/83/89/946918389.db2.gz VDYHVJDKQYJHJI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)CC[N@@H+](C)CC)N(C)C ZINC001410771366 946918399 /nfs/dbraw/zinc/91/83/99/946918399.db2.gz VDYHVJDKQYJHJI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C[C@@H]1C ZINC001410850654 947028839 /nfs/dbraw/zinc/02/88/39/947028839.db2.gz ABTSFYRDCBDMSU-WCQYABFASA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2n[nH]c(C)n2)C[C@@H]1C ZINC001410850654 947028847 /nfs/dbraw/zinc/02/88/47/947028847.db2.gz ABTSFYRDCBDMSU-WCQYABFASA-N 1 3 308.430 0.534 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001410932285 947137264 /nfs/dbraw/zinc/13/72/64/947137264.db2.gz FCVBXZKJLSSBKW-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001410932285 947137269 /nfs/dbraw/zinc/13/72/69/947137269.db2.gz FCVBXZKJLSSBKW-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO COC(=O)[C@H](C)CN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273415347 947234888 /nfs/dbraw/zinc/23/48/88/947234888.db2.gz NZWPBMCIEPTZIL-CZUORRHYSA-N 1 3 311.426 0.424 20 0 DCADHO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001411121405 947357845 /nfs/dbraw/zinc/35/78/45/947357845.db2.gz DDMWGRIGDHFWRX-CJNGLKHVSA-N 1 3 323.437 0.152 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001324565587 947460204 /nfs/dbraw/zinc/46/02/04/947460204.db2.gz WVKKDYDLMOOGEY-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC001262597584 947736774 /nfs/dbraw/zinc/73/67/74/947736774.db2.gz SIMSJFSJFRIOTJ-CQSZACIVSA-N 1 3 311.474 0.311 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472625 947849061 /nfs/dbraw/zinc/84/90/61/947849061.db2.gz PUNIOWHKWIXXLE-KBPBESRZSA-N 1 3 322.457 0.637 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534450 947854195 /nfs/dbraw/zinc/85/41/95/947854195.db2.gz MOELGLCGIAJINC-ILXRZTDVSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@@H]1C)N(C)C ZINC001179549979 947868030 /nfs/dbraw/zinc/86/80/30/947868030.db2.gz OPIVNFXGBHYZMB-IHRRRGAJSA-N 1 3 312.458 0.430 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H]1C)N(C)C ZINC001179553956 947870902 /nfs/dbraw/zinc/87/09/02/947870902.db2.gz HYWWXUCBAQTCSZ-QEJZJMRPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001179580692 947876909 /nfs/dbraw/zinc/87/69/09/947876909.db2.gz MMTYZQYEPKGKAP-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCOCC2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617894 947877336 /nfs/dbraw/zinc/87/73/36/947877336.db2.gz WCAVDAVUXLQNSB-WFASDCNBSA-N 1 3 306.410 0.958 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652099 947881418 /nfs/dbraw/zinc/88/14/18/947881418.db2.gz OWXVQENFAWQCCJ-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCc2ccccc2C[NH3+])C1 ZINC001327516700 948537656 /nfs/dbraw/zinc/53/76/56/948537656.db2.gz VFENUQUVRHZHHB-HNNXBMFYSA-N 1 3 318.421 0.362 20 0 DCADHO CC(C)[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001273921893 948681190 /nfs/dbraw/zinc/68/11/90/948681190.db2.gz MKUJVUGRPSASOR-SFHVURJKSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001273921893 948681196 /nfs/dbraw/zinc/68/11/96/948681196.db2.gz MKUJVUGRPSASOR-SFHVURJKSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001488742545 949185942 /nfs/dbraw/zinc/18/59/42/949185942.db2.gz UXXWMVUDFBZDRF-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO CC[NH+]1CCC(N2CCCN(C[C@H]3CN(C)C(=O)O3)CC2)CC1 ZINC001364447153 949320542 /nfs/dbraw/zinc/32/05/42/949320542.db2.gz UHIXJLPZNUWJNY-MRXNPFEDSA-N 1 3 324.469 0.929 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001488915471 949329859 /nfs/dbraw/zinc/32/98/59/949329859.db2.gz CBXMOLDMXRROEV-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001488916117 949336435 /nfs/dbraw/zinc/33/64/35/949336435.db2.gz ONFYDMUKVBJCDE-FRRDWIJNSA-N 1 3 310.442 0.219 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001488960624 949353570 /nfs/dbraw/zinc/35/35/70/949353570.db2.gz AAJLVWOBJBFWLY-MJBXVCDLSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@H]1CCN(C)C1=O ZINC001265145966 949377571 /nfs/dbraw/zinc/37/75/71/949377571.db2.gz HOSVNSSLDDXAJY-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@H]1CCN(C)C1=O ZINC001265145966 949377587 /nfs/dbraw/zinc/37/75/87/949377587.db2.gz HOSVNSSLDDXAJY-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO Cc1noc(CCC[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)n1 ZINC001265572192 949776964 /nfs/dbraw/zinc/77/69/64/949776964.db2.gz AAGKXZFCDRRCOJ-OKILXGFUSA-N 1 3 323.441 0.888 20 0 DCADHO OCCCOCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001330702686 950601893 /nfs/dbraw/zinc/60/18/93/950601893.db2.gz YITKGYHXWSJWAV-KRWDZBQOSA-N 1 3 308.422 0.612 20 0 DCADHO OCCCOCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001330702686 950601904 /nfs/dbraw/zinc/60/19/04/950601904.db2.gz YITKGYHXWSJWAV-KRWDZBQOSA-N 1 3 308.422 0.612 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCC23CCC3)CC[N@@H+]1C ZINC001331129854 950938820 /nfs/dbraw/zinc/93/88/20/950938820.db2.gz BQGOUAVVRNCQOW-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCC23CCC3)CC[N@H+]1C ZINC001331129854 950938838 /nfs/dbraw/zinc/93/88/38/950938838.db2.gz BQGOUAVVRNCQOW-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331198069 951010294 /nfs/dbraw/zinc/01/02/94/951010294.db2.gz TUBQBASJPSBKIX-JOCQHMNTSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](NCC(=O)NC)C2CC2)C1 ZINC001490698690 951055571 /nfs/dbraw/zinc/05/55/71/951055571.db2.gz KFAYZDLKYDXWIA-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](NCC(=O)NC)C2CC2)C1 ZINC001490698690 951055587 /nfs/dbraw/zinc/05/55/87/951055587.db2.gz KFAYZDLKYDXWIA-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC001331515024 951151796 /nfs/dbraw/zinc/15/17/96/951151796.db2.gz ZMYLBEJXFVCTPX-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001331519946 951155209 /nfs/dbraw/zinc/15/52/09/951155209.db2.gz ZOMVJWPLFMCPMD-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CCN(CCC[NH2+]C2CCS(=O)(=O)CC2)CC1 ZINC001331524218 951157491 /nfs/dbraw/zinc/15/74/91/951157491.db2.gz DIKMTNARYWNPLI-UHFFFAOYSA-N 1 3 303.472 0.181 20 0 DCADHO CC[C@H](C(=O)NC/C=C/C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001274125724 951427589 /nfs/dbraw/zinc/42/75/89/951427589.db2.gz UAONIUAMXUSINZ-QAMKJQMISA-N 1 3 320.441 0.368 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001365847242 951610385 /nfs/dbraw/zinc/61/03/85/951610385.db2.gz HADOYTQVCRJAIT-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(CN1CCCC1)N1CCC(O)(C[NH2+]C/C=C/Cl)CC1 ZINC001274581563 951715258 /nfs/dbraw/zinc/71/52/58/951715258.db2.gz WCMBKOXPLPIUJO-ZZXKWVIFSA-N 1 3 315.845 0.778 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001274796786 951840940 /nfs/dbraw/zinc/84/09/40/951840940.db2.gz GRJGMEVZRDFXFQ-HIFRSBDPSA-N 1 3 309.458 0.643 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)C(=O)CN1CCCC1 ZINC001411669872 952372487 /nfs/dbraw/zinc/37/24/87/952372487.db2.gz IGCJYEPRNNVNSO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO NC(=O)CC[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001335365111 952527067 /nfs/dbraw/zinc/52/70/67/952527067.db2.gz AHVXXRCYJBURQQ-UHFFFAOYSA-N 1 3 318.421 0.477 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC001335499583 952546142 /nfs/dbraw/zinc/54/61/42/952546142.db2.gz WBJMQAMTNKAXBJ-AWEZNQCLSA-N 1 3 311.474 0.393 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001411977674 952579292 /nfs/dbraw/zinc/57/92/92/952579292.db2.gz QGAWQBFWTLUADY-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCN(C[C@H](O)C[NH2+]CCN2CCCC(C)(C)C2)CC1 ZINC001335986327 952628697 /nfs/dbraw/zinc/62/86/97/952628697.db2.gz NHKHBAAURQBSDQ-MRXNPFEDSA-N 1 3 312.502 0.306 20 0 DCADHO CN(C)C(=O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(CO)o1 ZINC001276091851 952910737 /nfs/dbraw/zinc/91/07/37/952910737.db2.gz DCXXYPCWEJRLQV-AGUYFDCRSA-N 1 3 321.421 0.945 20 0 DCADHO CN(C)C(=O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(CO)o1 ZINC001276091851 952910738 /nfs/dbraw/zinc/91/07/38/952910738.db2.gz DCXXYPCWEJRLQV-AGUYFDCRSA-N 1 3 321.421 0.945 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001412690668 952998810 /nfs/dbraw/zinc/99/88/10/952998810.db2.gz GOMQVLZRDWRXEN-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)C[C@H](C)O1 ZINC001340819940 953196941 /nfs/dbraw/zinc/19/69/41/953196941.db2.gz AYHBHYKAEHRWFH-JKQORVJESA-N 1 3 309.454 0.992 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC001345153215 953600316 /nfs/dbraw/zinc/60/03/16/953600316.db2.gz ATDOQULQMNGKQD-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001366105953 953693068 /nfs/dbraw/zinc/69/30/68/953693068.db2.gz YSYRJFIWAXBIKC-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1cc(NC(=O)CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001366121517 953711438 /nfs/dbraw/zinc/71/14/38/953711438.db2.gz BGCMTBNEESCIJW-HAQNSBGRSA-N 1 3 323.397 0.110 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001366133098 953725330 /nfs/dbraw/zinc/72/53/30/953725330.db2.gz XERFSYQXQVKAHG-CYUUQNCZSA-N 1 3 324.469 0.477 20 0 DCADHO CC(C)OCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001282926545 953775450 /nfs/dbraw/zinc/77/54/50/953775450.db2.gz XZKXHDIJUKJUGD-UKRRQHHQSA-N 1 3 324.425 0.583 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001366218076 953842516 /nfs/dbraw/zinc/84/25/16/953842516.db2.gz SFPLHSVZAYBBEP-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283035361 953941457 /nfs/dbraw/zinc/94/14/57/953941457.db2.gz MUJFBGGRVIEDNQ-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCCN(C)C1=O ZINC001366334635 954045253 /nfs/dbraw/zinc/04/52/53/954045253.db2.gz VQGYFQOUICOMDE-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001366387283 954136098 /nfs/dbraw/zinc/13/60/98/954136098.db2.gz IFOSROHFJXMCSC-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nnc([C@H](C)NC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001366395974 954148736 /nfs/dbraw/zinc/14/87/36/954148736.db2.gz ARKQXSDSZQHYIG-AAEUAGOBSA-N 1 3 308.430 0.564 20 0 DCADHO CN(CC(=O)NCC[N@H+](C)C[C@H]1C[C@@]12CCOC2)C1CCC1 ZINC001366536353 954369717 /nfs/dbraw/zinc/36/97/17/954369717.db2.gz KSNKBAUZRDQAAV-RHSMWYFYSA-N 1 3 309.454 0.945 20 0 DCADHO CN(CC(=O)NCC[N@@H+](C)C[C@H]1C[C@@]12CCOC2)C1CCC1 ZINC001366536353 954369726 /nfs/dbraw/zinc/36/97/26/954369726.db2.gz KSNKBAUZRDQAAV-RHSMWYFYSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)CCc1ccnn1C ZINC001366592265 954475735 /nfs/dbraw/zinc/47/57/35/954475735.db2.gz LODXNXLGVACOAP-HUUCEWRRSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001349070236 954590822 /nfs/dbraw/zinc/59/08/22/954590822.db2.gz VFQBVNHRDXZRHT-ZFWWWQNUSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1[C@@H]([NH2+]CCOCC(F)F)CCN1C(=O)CN1CCCC1 ZINC001283937807 954730175 /nfs/dbraw/zinc/73/01/75/954730175.db2.gz DWTSPRODFLWLEO-OLZOCXBDSA-N 1 3 319.396 0.943 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(N)=O ZINC001366827021 954897467 /nfs/dbraw/zinc/89/74/67/954897467.db2.gz PVZRYGXGGCJUKJ-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C)C(N)=O ZINC001366827021 954897481 /nfs/dbraw/zinc/89/74/81/954897481.db2.gz PVZRYGXGGCJUKJ-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H](C)C(=O)NC)C1 ZINC001366843743 954923700 /nfs/dbraw/zinc/92/37/00/954923700.db2.gz IXDZVDSBIZDPNI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H](C)C(=O)NC)C1 ZINC001366843743 954923707 /nfs/dbraw/zinc/92/37/07/954923707.db2.gz IXDZVDSBIZDPNI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001367022431 955215445 /nfs/dbraw/zinc/21/54/45/955215445.db2.gz FILNFKNVQDUWFU-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](C(=O)NCC1=CC[N@H+](CCn2cccn2)CC1)N(C)C ZINC001284957667 955353794 /nfs/dbraw/zinc/35/37/94/955353794.db2.gz UKDLPASIOIOKIK-INIZCTEOSA-N 1 3 319.453 0.972 20 0 DCADHO CC[C@@H](C(=O)NCC1=CC[N@@H+](CCn2cccn2)CC1)N(C)C ZINC001284957667 955353807 /nfs/dbraw/zinc/35/38/07/955353807.db2.gz UKDLPASIOIOKIK-INIZCTEOSA-N 1 3 319.453 0.972 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001367128088 955362464 /nfs/dbraw/zinc/36/24/64/955362464.db2.gz QLIIUDZGVGGYBU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001367179037 955436134 /nfs/dbraw/zinc/43/61/34/955436134.db2.gz CUNNKNRQUAABDM-CXAGYDPISA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001367179037 955436161 /nfs/dbraw/zinc/43/61/61/955436161.db2.gz CUNNKNRQUAABDM-CXAGYDPISA-N 1 3 324.469 0.468 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001367198883 955453790 /nfs/dbraw/zinc/45/37/90/955453790.db2.gz BVUSEWVCANHFCU-AJNGGQMLSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367225464 955482451 /nfs/dbraw/zinc/48/24/51/955482451.db2.gz DJAUXAFRBBTQLY-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367225464 955482459 /nfs/dbraw/zinc/48/24/59/955482459.db2.gz DJAUXAFRBBTQLY-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cnns1 ZINC001367239045 955504522 /nfs/dbraw/zinc/50/45/22/955504522.db2.gz DTFWDTHZLOGZGD-NSHDSACASA-N 1 3 311.455 0.864 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001367319205 955637534 /nfs/dbraw/zinc/63/75/34/955637534.db2.gz UQHGFDUCYZBNBO-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001285556870 955791529 /nfs/dbraw/zinc/79/15/29/955791529.db2.gz FIOSGKWEFJTSBH-NHQLZKDQSA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001285556870 955791537 /nfs/dbraw/zinc/79/15/37/955791537.db2.gz FIOSGKWEFJTSBH-NHQLZKDQSA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001285556872 955792357 /nfs/dbraw/zinc/79/23/57/955792357.db2.gz FIOSGKWEFJTSBH-YOVCOIKASA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001285556872 955792362 /nfs/dbraw/zinc/79/23/62/955792362.db2.gz FIOSGKWEFJTSBH-YOVCOIKASA-N 1 3 324.469 0.313 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001480460464 956001587 /nfs/dbraw/zinc/00/15/87/956001587.db2.gz VTRCLOZJHDKGTQ-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC001354234616 956323272 /nfs/dbraw/zinc/32/32/72/956323272.db2.gz IAALBNGDNNNTMP-NQLMQOPMSA-N 1 3 320.481 0.515 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001355281491 956625075 /nfs/dbraw/zinc/62/50/75/956625075.db2.gz XXAZYKNAZXBDIH-GJZGRUSLSA-N 1 3 317.499 0.427 20 0 DCADHO C[NH2+]C1(C(=O)NCCCN2CCC(C(=O)OC)CC2)CCC1 ZINC001357502421 957302844 /nfs/dbraw/zinc/30/28/44/957302844.db2.gz BCGRQOFVVFEFRB-UHFFFAOYSA-N 1 3 311.426 0.520 20 0 DCADHO CC(C)N1CC[C@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001367374493 957737081 /nfs/dbraw/zinc/73/70/81/957737081.db2.gz GVIQKLDCOQBHCN-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001367396886 957767126 /nfs/dbraw/zinc/76/71/26/957767126.db2.gz MGQPKZQSMPREEV-CYBMUJFWSA-N 1 3 322.453 0.045 20 0 DCADHO Cc1nn(C)cc1CN1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001446979160 1013159328 /nfs/dbraw/zinc/15/93/28/1013159328.db2.gz AMNRVWIRRQULDX-IYBDPMFKSA-N 1 3 319.453 0.570 20 0 DCADHO Cn1nccc1CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001367554270 958029636 /nfs/dbraw/zinc/02/96/36/958029636.db2.gz JJNUADPBPDRTSA-GDBMZVCRSA-N 1 3 319.453 0.795 20 0 DCADHO C[C@H](C[NH2+]C[C@@H](O)c1ccccc1)NC(=O)c1ncn(C)n1 ZINC001367673468 958330358 /nfs/dbraw/zinc/33/03/58/958330358.db2.gz YEEKKGNTFUXDNM-DGCLKSJQSA-N 1 3 303.366 0.257 20 0 DCADHO CC(C)n1nccc1C(=O)N[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001367673858 958330976 /nfs/dbraw/zinc/33/09/76/958330976.db2.gz GFHHPNUAEUDRET-OLZOCXBDSA-N 1 3 321.425 0.793 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001367678624 958343656 /nfs/dbraw/zinc/34/36/56/958343656.db2.gz XLFFNLBVXHVJCZ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001367678624 958343670 /nfs/dbraw/zinc/34/36/70/958343670.db2.gz XLFFNLBVXHVJCZ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001367705488 958411414 /nfs/dbraw/zinc/41/14/14/958411414.db2.gz FKWVQOKRIXUKKC-DOMZBBRYSA-N 1 3 320.437 0.720 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)c1 ZINC001367775309 958547994 /nfs/dbraw/zinc/54/79/94/958547994.db2.gz QUVISZQNMBIJMS-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO CN1CC[C@H](NC[C@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)C1=O ZINC001367910654 958842837 /nfs/dbraw/zinc/84/28/37/958842837.db2.gz JIGCCDGCFBSXBF-GJZGRUSLSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001491814903 959256052 /nfs/dbraw/zinc/25/60/52/959256052.db2.gz VHSMZDHNSQVHFE-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001491859185 959317069 /nfs/dbraw/zinc/31/70/69/959317069.db2.gz QVIZCHADCLYCNZ-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001368191529 959430499 /nfs/dbraw/zinc/43/04/99/959430499.db2.gz SSRQILGBPISAHH-PBHICJAKSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC1CC1)C2 ZINC001368327690 959683972 /nfs/dbraw/zinc/68/39/72/959683972.db2.gz RXDJTBCSAZKOBV-QEJZJMRPSA-N 1 3 322.453 0.186 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001368355001 959717077 /nfs/dbraw/zinc/71/70/77/959717077.db2.gz YQDYCTPYRUJYBI-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001368356304 959720693 /nfs/dbraw/zinc/72/06/93/959720693.db2.gz UWIIGSZJUAJBIE-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)NCC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001377252979 959796299 /nfs/dbraw/zinc/79/62/99/959796299.db2.gz FENLIHLJNQNNIO-ZDUSSCGKSA-N 1 3 308.430 0.155 20 0 DCADHO CCCN(C)CC(=O)NCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001377252979 959796308 /nfs/dbraw/zinc/79/63/08/959796308.db2.gz FENLIHLJNQNNIO-ZDUSSCGKSA-N 1 3 308.430 0.155 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001368424233 959843222 /nfs/dbraw/zinc/84/32/22/959843222.db2.gz RVJIXQHFWOSFER-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001377280647 959848408 /nfs/dbraw/zinc/84/84/08/959848408.db2.gz IHROIOYGDISQJT-UONOGXRCSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001377280631 959848795 /nfs/dbraw/zinc/84/87/95/959848795.db2.gz IHROIOYGDISQJT-KBPBESRZSA-N 1 3 322.453 0.043 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001368490972 959937311 /nfs/dbraw/zinc/93/73/11/959937311.db2.gz UXNNVQAOFLDQAS-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001368490972 959937322 /nfs/dbraw/zinc/93/73/22/959937322.db2.gz UXNNVQAOFLDQAS-ZDUSSCGKSA-N 1 3 310.442 0.222 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+]CC2CC2)CC1)N(C)C ZINC001377351075 959962867 /nfs/dbraw/zinc/96/28/67/959962867.db2.gz NNEFGFCCWDZBPY-HNNXBMFYSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CC(=O)Nc1ccon1 ZINC001377414955 960061550 /nfs/dbraw/zinc/06/15/50/960061550.db2.gz DNXZBKHJHQRXEA-NWDGAFQWSA-N 1 3 323.397 0.192 20 0 DCADHO CC[C@@H](C)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368627295 960105231 /nfs/dbraw/zinc/10/52/31/960105231.db2.gz YCQCFODFXGEBNT-CZUORRHYSA-N 1 3 308.426 0.941 20 0 DCADHO CO[C@H](C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368688500 960159654 /nfs/dbraw/zinc/15/96/54/960159654.db2.gz VQXCOAYMECDZSQ-ZIAGYGMSSA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@H+](CCCO)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001368780332 960259067 /nfs/dbraw/zinc/25/90/67/960259067.db2.gz SETHOVJLMMCVRQ-UHFFFAOYSA-N 1 3 308.426 0.895 20 0 DCADHO CC[N@@H+](CCCO)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001368780332 960259078 /nfs/dbraw/zinc/25/90/78/960259078.db2.gz SETHOVJLMMCVRQ-UHFFFAOYSA-N 1 3 308.426 0.895 20 0 DCADHO CC[C@H](C(=O)NC1(CO)CC[NH+](C[C@H](C)OC)CC1)N(C)C ZINC001377562363 960285130 /nfs/dbraw/zinc/28/51/30/960285130.db2.gz LWKFCLBEAAEQKO-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCc1ccnn1C ZINC001368835632 960333583 /nfs/dbraw/zinc/33/35/83/960333583.db2.gz FYDUPTZZIISBHL-UONOGXRCSA-N 1 3 321.469 0.930 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC(N)=O)CC1 ZINC001377610839 960353860 /nfs/dbraw/zinc/35/38/60/960353860.db2.gz OPTVYGRHSXPRAW-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cccn1 ZINC001377621969 960361480 /nfs/dbraw/zinc/36/14/80/960361480.db2.gz AODJWYIICRLYPP-CVEARBPZSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cccn1 ZINC001377621969 960361486 /nfs/dbraw/zinc/36/14/86/960361486.db2.gz AODJWYIICRLYPP-CVEARBPZSA-N 1 3 319.453 0.900 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN2CCN(CC)CC2)CC[N@@H+]1C ZINC001377724675 960507278 /nfs/dbraw/zinc/50/72/78/960507278.db2.gz AKCSINVDZPOMOF-JKSUJKDBSA-N 1 3 310.486 0.813 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN2CCN(CC)CC2)CC[N@H+]1C ZINC001377724675 960507295 /nfs/dbraw/zinc/50/72/95/960507295.db2.gz AKCSINVDZPOMOF-JKSUJKDBSA-N 1 3 310.486 0.813 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](CC)C(N)=O)C1 ZINC001377766747 960611960 /nfs/dbraw/zinc/61/19/60/960611960.db2.gz XUWYZHBVKYQQOS-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](CC)C(N)=O)C1 ZINC001377766747 960611974 /nfs/dbraw/zinc/61/19/74/960611974.db2.gz XUWYZHBVKYQQOS-UONOGXRCSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@H]([NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1)C(N)=O ZINC001378361207 960648402 /nfs/dbraw/zinc/64/84/02/960648402.db2.gz CWNWQAPRZJBTHW-KBPBESRZSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCN1CC[C@H](F)C1 ZINC001363230678 960653826 /nfs/dbraw/zinc/65/38/26/960653826.db2.gz GSACLADDCWWYAQ-GJZGRUSLSA-N 1 3 316.465 0.809 20 0 DCADHO CN(CC1CCN(C(=O)CC[NH+](C)C)CC1)[C@@H]1CCN(C)C1=O ZINC001377796862 960684079 /nfs/dbraw/zinc/68/40/79/960684079.db2.gz VRGGVHJGZKEDKR-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001378407192 960708814 /nfs/dbraw/zinc/70/88/14/960708814.db2.gz BCOWWZCWSKYHRE-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCc1ccnn1C ZINC001377882976 960901153 /nfs/dbraw/zinc/90/11/53/960901153.db2.gz MNJDTMUHQRPPFO-QWHCGFSZSA-N 1 3 305.426 0.499 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)CC1CC[NH+](C)CC1 ZINC001378624787 961152504 /nfs/dbraw/zinc/15/25/04/961152504.db2.gz RUFOSJUKVOFXJB-AWEZNQCLSA-N 1 3 321.469 0.994 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001549047061 1013238749 /nfs/dbraw/zinc/23/87/49/1013238749.db2.gz GAKSUPYVQHWDCS-WZRBSPASSA-N 1 3 305.369 0.714 20 0 DCADHO CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001447075426 1013239442 /nfs/dbraw/zinc/23/94/42/1013239442.db2.gz IRSPYMGVACFACH-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001378717831 961334983 /nfs/dbraw/zinc/33/49/83/961334983.db2.gz VQPKVPXRGBEOIP-TUVASFSCSA-N 1 3 309.454 0.536 20 0 DCADHO C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001378717831 961335001 /nfs/dbraw/zinc/33/50/01/961335001.db2.gz VQPKVPXRGBEOIP-TUVASFSCSA-N 1 3 309.454 0.536 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCCC[C@@H]3[NH3+])C2)nn1 ZINC001549047257 1013248071 /nfs/dbraw/zinc/24/80/71/1013248071.db2.gz MHGRBSQSXCBDRV-RDBSUJKOSA-N 1 3 306.414 0.418 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)c3ccc(C[NH3+])cc3)C2)nn1 ZINC001549047810 1013248832 /nfs/dbraw/zinc/24/88/32/1013248832.db2.gz ZOJVGRPKROOHEK-OAHLLOKOSA-N 1 3 314.393 0.673 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)CCn1cncn1 ZINC001378075589 961382381 /nfs/dbraw/zinc/38/23/81/961382381.db2.gz BDHSHFVMGLUYRR-AWEZNQCLSA-N 1 3 320.441 0.343 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC001363534298 961384129 /nfs/dbraw/zinc/38/41/29/961384129.db2.gz VYVKETJMBOXIIG-GJZGRUSLSA-N 1 3 324.469 0.685 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC001363534298 961384152 /nfs/dbraw/zinc/38/41/52/961384152.db2.gz VYVKETJMBOXIIG-GJZGRUSLSA-N 1 3 324.469 0.685 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001378842923 961587074 /nfs/dbraw/zinc/58/70/74/961587074.db2.gz IGESTWAQQZASHY-XUXIUFHCSA-N 1 3 312.458 0.321 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001378917509 961705669 /nfs/dbraw/zinc/70/56/69/961705669.db2.gz SFQSEUFEPSHLJQ-OCCSQVGLSA-N 1 3 321.425 0.448 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001378917501 961707891 /nfs/dbraw/zinc/70/78/91/961707891.db2.gz SFQSEUFEPSHLJQ-GXTWGEPZSA-N 1 3 321.425 0.448 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001430259177 1013296432 /nfs/dbraw/zinc/29/64/32/1013296432.db2.gz ROKGELHUADPHIP-GUTXKFCHSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001379765441 961979365 /nfs/dbraw/zinc/97/93/65/961979365.db2.gz HPBYTFYOCCYFKV-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001379765441 961979370 /nfs/dbraw/zinc/97/93/70/961979370.db2.gz HPBYTFYOCCYFKV-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001379054846 961983991 /nfs/dbraw/zinc/98/39/91/961983991.db2.gz IMOOAXWOSOAWPW-AWEZNQCLSA-N 1 3 312.458 0.241 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCC1 ZINC001447203281 1013308578 /nfs/dbraw/zinc/30/85/78/1013308578.db2.gz YAIAVLUUALKFDK-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001447203281 1013308587 /nfs/dbraw/zinc/30/85/87/1013308587.db2.gz YAIAVLUUALKFDK-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C[C@@H](O)CNCc1ccns1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379854531 962150177 /nfs/dbraw/zinc/15/01/77/962150177.db2.gz AILALZKJIOKIGD-NEPJUHHUSA-N 1 3 312.439 0.004 20 0 DCADHO CN(C[C@@H](O)CNCc1ccns1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379854531 962150187 /nfs/dbraw/zinc/15/01/87/962150187.db2.gz AILALZKJIOKIGD-NEPJUHHUSA-N 1 3 312.439 0.004 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001379870827 962186654 /nfs/dbraw/zinc/18/66/54/962186654.db2.gz DYLRWOXZWOYPIF-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)C2CC[NH+](C)CC2)C2CC2)cn1 ZINC001379889083 962219120 /nfs/dbraw/zinc/21/91/20/962219120.db2.gz BBXAQMYZAURVKW-MRXNPFEDSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001379216628 962387540 /nfs/dbraw/zinc/38/75/40/962387540.db2.gz ACTZTKJFPMDPHF-GXTWGEPZSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(F)c1 ZINC001379294779 962563158 /nfs/dbraw/zinc/56/31/58/962563158.db2.gz QRRKMKVSCRXSOZ-HNNXBMFYSA-N 1 3 311.401 0.733 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)C1(N(C)C)CCC1 ZINC001379301693 962578413 /nfs/dbraw/zinc/57/84/13/962578413.db2.gz FRMAWRQPPFEJJT-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC001380085688 962638186 /nfs/dbraw/zinc/63/81/86/962638186.db2.gz QRAOHLMYAFOYDY-OLZOCXBDSA-N 1 3 310.442 0.362 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1)C(N)=O ZINC001380085688 962638193 /nfs/dbraw/zinc/63/81/93/962638193.db2.gz QRAOHLMYAFOYDY-OLZOCXBDSA-N 1 3 310.442 0.362 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)N(C)C1CC1)[NH+](C)C ZINC001379450216 962950443 /nfs/dbraw/zinc/95/04/43/962950443.db2.gz OCNCKZSNJAFNHU-IUODEOHRSA-N 1 3 312.458 0.288 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001380321269 963036554 /nfs/dbraw/zinc/03/65/54/963036554.db2.gz FQMSTTFXSWDMDA-TZMCWYRMSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001380330389 963044717 /nfs/dbraw/zinc/04/47/17/963044717.db2.gz VJOARLQUTGXIQC-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001380330389 963044727 /nfs/dbraw/zinc/04/47/27/963044727.db2.gz VJOARLQUTGXIQC-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001379517864 963114559 /nfs/dbraw/zinc/11/45/59/963114559.db2.gz AASOLZRNKUGBCA-JSGCOSHPSA-N 1 3 300.447 0.192 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CCCC1)N(C)C ZINC001379520919 963122753 /nfs/dbraw/zinc/12/27/53/963122753.db2.gz HUWIAMONVXCKCQ-GXTWGEPZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001379591949 963231506 /nfs/dbraw/zinc/23/15/06/963231506.db2.gz GNDHXAGYSSPVGQ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCOCC1 ZINC001380499053 963262548 /nfs/dbraw/zinc/26/25/48/963262548.db2.gz CTYMSZMRJCIIDD-ZDUSSCGKSA-N 1 3 313.442 0.107 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@H](C)COC)C1 ZINC001380913561 963677263 /nfs/dbraw/zinc/67/72/63/963677263.db2.gz PPKVPWNMTTWOOV-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001381275877 963935279 /nfs/dbraw/zinc/93/52/79/963935279.db2.gz ODHAXAQMJAYPSE-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCn1cncn1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001381312708 963963447 /nfs/dbraw/zinc/96/34/47/963963447.db2.gz BDOZLXLEACPMSL-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381312708 963963452 /nfs/dbraw/zinc/96/34/52/963963452.db2.gz BDOZLXLEACPMSL-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)C(=O)N(C)C ZINC001375229973 964154134 /nfs/dbraw/zinc/15/41/34/964154134.db2.gz OSGAJFSJPWFUNC-WFASDCNBSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)cc1 ZINC001375260026 964183117 /nfs/dbraw/zinc/18/31/17/964183117.db2.gz ALFZEUPESXFWBE-HNNXBMFYSA-N 1 3 318.421 0.332 20 0 DCADHO CC(C)[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCNC1=O ZINC001369195917 964512028 /nfs/dbraw/zinc/51/20/28/964512028.db2.gz RABPDVDIQCIDGW-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001369211766 964531824 /nfs/dbraw/zinc/53/18/24/964531824.db2.gz HNGBNCZYDVUZHE-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001369211766 964531829 /nfs/dbraw/zinc/53/18/29/964531829.db2.gz HNGBNCZYDVUZHE-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001375559515 964551808 /nfs/dbraw/zinc/55/18/08/964551808.db2.gz IFLPHFSZIOKDIB-AAVRWANBSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]CC(=O)N(C)C)CCCC1)N(C)C ZINC001373863760 964726464 /nfs/dbraw/zinc/72/64/64/964726464.db2.gz XBLDKRXMJMRYRM-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001373922533 964784644 /nfs/dbraw/zinc/78/46/44/964784644.db2.gz AWGXDCUYKUWAAI-XDQVBPFNSA-N 1 3 310.442 0.232 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001375769842 964818980 /nfs/dbraw/zinc/81/89/80/964818980.db2.gz ZSBZQZKWLFCXIA-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC(=O)N(C)C)CC1 ZINC001373968132 964830095 /nfs/dbraw/zinc/83/00/95/964830095.db2.gz FDCSMTWNKXCPJI-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001369379835 964858959 /nfs/dbraw/zinc/85/89/59/964858959.db2.gz DYAJIDKDZVOGBS-LSDHHAIUSA-N 1 3 321.421 0.214 20 0 DCADHO COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001369379835 964858963 /nfs/dbraw/zinc/85/89/63/964858963.db2.gz DYAJIDKDZVOGBS-LSDHHAIUSA-N 1 3 321.421 0.214 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001369399884 964896668 /nfs/dbraw/zinc/89/66/68/964896668.db2.gz GGVLXQQNTFSDPX-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001375865070 964938105 /nfs/dbraw/zinc/93/81/05/964938105.db2.gz BTMORXZDXYHZPO-CJNGLKHVSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375875818 964952622 /nfs/dbraw/zinc/95/26/22/964952622.db2.gz VKORFCAPNNRING-INIZCTEOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001369527142 965138086 /nfs/dbraw/zinc/13/80/86/965138086.db2.gz NMDPYNGMBBWJEF-LSDHHAIUSA-N 1 3 301.475 0.980 20 0 DCADHO CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001369527142 965138089 /nfs/dbraw/zinc/13/80/89/965138089.db2.gz NMDPYNGMBBWJEF-LSDHHAIUSA-N 1 3 301.475 0.980 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001369585494 965195571 /nfs/dbraw/zinc/19/55/71/965195571.db2.gz YIYYBROBADXNEJ-RUXDESIVSA-N 1 3 310.442 0.138 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001374275878 965213555 /nfs/dbraw/zinc/21/35/55/965213555.db2.gz KPDAEWMCIUFDFM-RYUDHWBXSA-N 1 3 322.457 0.952 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)N(C)C(=O)CCC[NH+](C)C ZINC001374289425 965233528 /nfs/dbraw/zinc/23/35/28/965233528.db2.gz WFLKKLJGWYMVHR-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001374376584 965323988 /nfs/dbraw/zinc/32/39/88/965323988.db2.gz HTOMEFXBPAGWDQ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnnn1C ZINC001374428897 965375588 /nfs/dbraw/zinc/37/55/88/965375588.db2.gz XYCRITXUMHJNIR-CQSZACIVSA-N 1 3 322.457 0.530 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+]Cc1ccnn1C)C1CC1)C1CCC1 ZINC001376210729 965388534 /nfs/dbraw/zinc/38/85/34/965388534.db2.gz FFBWIIWSGRCDSB-MRXNPFEDSA-N 1 3 319.453 0.889 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](NCC(=O)N1CCCC1)C1CC1 ZINC001376246617 965432504 /nfs/dbraw/zinc/43/25/04/965432504.db2.gz ZLDLOEFNXXARQA-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(CC)CC)C1)N(C)C ZINC001376403774 965616793 /nfs/dbraw/zinc/61/67/93/965616793.db2.gz ZMCDZIDLJSBGIO-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)NC1CC1 ZINC001376468397 965697125 /nfs/dbraw/zinc/69/71/25/965697125.db2.gz XBNPDUAQPARMLY-FPMFFAJLSA-N 1 3 322.453 0.375 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001376502353 965747293 /nfs/dbraw/zinc/74/72/93/965747293.db2.gz MBMNIVFXBVVACS-OKILXGFUSA-N 1 3 320.441 0.428 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001374719044 965809915 /nfs/dbraw/zinc/80/99/15/965809915.db2.gz SHBIMHBLNDMAOU-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1)N(C)C ZINC001374719044 965809933 /nfs/dbraw/zinc/80/99/33/965809933.db2.gz SHBIMHBLNDMAOU-GXTWGEPZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001374758017 965873983 /nfs/dbraw/zinc/87/39/83/965873983.db2.gz OPRDJIDYEXTEFA-OAHLLOKOSA-N 1 3 324.469 0.241 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001370226300 965903473 /nfs/dbraw/zinc/90/34/73/965903473.db2.gz GMEXFGZXRSYGDL-XQLPTFJDSA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001370363687 966049252 /nfs/dbraw/zinc/04/92/52/966049252.db2.gz MUPCXMWJKYBWIW-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001370363687 966049263 /nfs/dbraw/zinc/04/92/63/966049263.db2.gz MUPCXMWJKYBWIW-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001376739120 966099755 /nfs/dbraw/zinc/09/97/55/966099755.db2.gz RKKAANIYDUHCBC-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001370425710 966107536 /nfs/dbraw/zinc/10/75/36/966107536.db2.gz DYGDCEPPXAOBOH-HNNXBMFYSA-N 1 3 319.453 0.987 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001374898949 966111385 /nfs/dbraw/zinc/11/13/85/966111385.db2.gz QAAAXUGLSISCLW-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001374898949 966111391 /nfs/dbraw/zinc/11/13/91/966111391.db2.gz QAAAXUGLSISCLW-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CC[C@H](NC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001374962859 966179655 /nfs/dbraw/zinc/17/96/55/966179655.db2.gz XXHKDJXAYMNGBR-KBPBESRZSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)C1=O ZINC001370519489 966207067 /nfs/dbraw/zinc/20/70/67/966207067.db2.gz QBJWKUGONJEEHO-ZQDZILKHSA-N 1 3 324.469 0.430 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370548292 966235189 /nfs/dbraw/zinc/23/51/89/966235189.db2.gz OTVHCRPNFGJBFR-YDHLFZDLSA-N 1 3 322.457 0.621 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001370619416 966289572 /nfs/dbraw/zinc/28/95/72/966289572.db2.gz VESZAHVNCIAKIR-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001375094671 966344892 /nfs/dbraw/zinc/34/48/92/966344892.db2.gz ONKFZOAQGDVAAJ-KKUMJFAQSA-N 1 3 322.457 0.445 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001375094671 966344902 /nfs/dbraw/zinc/34/49/02/966344902.db2.gz ONKFZOAQGDVAAJ-KKUMJFAQSA-N 1 3 322.457 0.445 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001447919791 1013650337 /nfs/dbraw/zinc/65/03/37/1013650337.db2.gz ZCDFWMNXVJZVND-NWDGAFQWSA-N 1 3 300.447 0.193 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001447935494 1013657639 /nfs/dbraw/zinc/65/76/39/1013657639.db2.gz RKUKMVGTLMYHEL-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001370835221 966525011 /nfs/dbraw/zinc/52/50/11/966525011.db2.gz HMVCSAJRKPTRDN-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001447936424 1013660091 /nfs/dbraw/zinc/66/00/91/1013660091.db2.gz SRDCPOVKVOADJD-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(C)(C)C)[NH+](C)C ZINC001371212461 966820697 /nfs/dbraw/zinc/82/06/97/966820697.db2.gz MPRZLELDWKUYGK-JSGCOSHPSA-N 1 3 314.474 0.582 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccn(C)n1 ZINC001382044553 966886064 /nfs/dbraw/zinc/88/60/64/966886064.db2.gz CZHKZMXOBKXGOX-GDBMZVCRSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccn(C)n1 ZINC001382044553 966886072 /nfs/dbraw/zinc/88/60/72/966886072.db2.gz CZHKZMXOBKXGOX-GDBMZVCRSA-N 1 3 321.469 0.992 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001371521997 967074890 /nfs/dbraw/zinc/07/48/90/967074890.db2.gz REBPUCWKSCISGL-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC001382303333 967188106 /nfs/dbraw/zinc/18/81/06/967188106.db2.gz WDCYGMCAHRIJCQ-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001382306295 967192644 /nfs/dbraw/zinc/19/26/44/967192644.db2.gz BHPHXJMDEBLFHY-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001382392344 967316805 /nfs/dbraw/zinc/31/68/05/967316805.db2.gz WVJCOUXRHCTLQH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C)N(C)C ZINC001371868715 967403897 /nfs/dbraw/zinc/40/38/97/967403897.db2.gz LDGFWUSCYGZBDN-TZMCWYRMSA-N 1 3 300.447 0.145 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001372045349 967598132 /nfs/dbraw/zinc/59/81/32/967598132.db2.gz XVUGBYXFDAZQPF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001372511505 968066949 /nfs/dbraw/zinc/06/69/49/968066949.db2.gz BLERFRWPGAPIIN-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001372624602 968190397 /nfs/dbraw/zinc/19/03/97/968190397.db2.gz DZNANUWZUIVHKU-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001372624602 968190402 /nfs/dbraw/zinc/19/04/02/968190402.db2.gz DZNANUWZUIVHKU-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](C)N(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001372810530 968407767 /nfs/dbraw/zinc/40/77/67/968407767.db2.gz VSMGSFLPASANPC-CZUORRHYSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001372919122 968529644 /nfs/dbraw/zinc/52/96/44/968529644.db2.gz DROYYGWVWCKDPH-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@@H]1CCN(C)C1=O ZINC001373296073 968910571 /nfs/dbraw/zinc/91/05/71/968910571.db2.gz YIZRODUWKZVQAD-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cnn(C)n1 ZINC001448561278 1013951166 /nfs/dbraw/zinc/95/11/66/1013951166.db2.gz LODYXQWYJXBAAZ-DZGCQCFKSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cnn(C)n1 ZINC001448561278 1013951169 /nfs/dbraw/zinc/95/11/69/1013951169.db2.gz LODYXQWYJXBAAZ-DZGCQCFKSA-N 1 3 322.457 0.387 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001448589920 1013958825 /nfs/dbraw/zinc/95/88/25/1013958825.db2.gz DXPYBUAXWBNJOJ-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)[C@H](C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001448597321 1013961889 /nfs/dbraw/zinc/96/18/89/1013961889.db2.gz SXFDVAROWQYBNK-UKRRQHHQSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccnn1C ZINC001448741099 1014018587 /nfs/dbraw/zinc/01/85/87/1014018587.db2.gz VFRSMZPBBXMQPM-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCc2ccccc2)C1 ZINC001448942606 1014103094 /nfs/dbraw/zinc/10/30/94/1014103094.db2.gz GMLNEZUIWABICR-HOTGVXAUSA-N 1 3 305.422 0.595 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCc2ccccc2)C1 ZINC001448942606 1014103096 /nfs/dbraw/zinc/10/30/96/1014103096.db2.gz GMLNEZUIWABICR-HOTGVXAUSA-N 1 3 305.422 0.595 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001449185042 1014276452 /nfs/dbraw/zinc/27/64/52/1014276452.db2.gz KKFDHZHFISEHLZ-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO CN(C)[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1n1ccnn1 ZINC001549606495 1014348156 /nfs/dbraw/zinc/34/81/56/1014348156.db2.gz MHZKADIWLWRIHX-ARFHVFGLSA-N 1 3 306.458 0.939 20 0 DCADHO CN(C)[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1n1ccnn1 ZINC001549606495 1014348170 /nfs/dbraw/zinc/34/81/70/1014348170.db2.gz MHZKADIWLWRIHX-ARFHVFGLSA-N 1 3 306.458 0.939 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001528666106 1014377303 /nfs/dbraw/zinc/37/73/03/1014377303.db2.gz KGILBKDCWYKFSV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001528666106 1014377318 /nfs/dbraw/zinc/37/73/18/1014377318.db2.gz KGILBKDCWYKFSV-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C)[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001449330219 1014416530 /nfs/dbraw/zinc/41/65/30/1014416530.db2.gz RNFLVSIYMBYJCE-CHWSQXEVSA-N 1 3 322.453 0.091 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001549724926 1014425823 /nfs/dbraw/zinc/42/58/23/1014425823.db2.gz IRCBCSXOJVZWTN-ONGXEEELSA-N 1 3 313.352 0.218 20 0 DCADHO O=C(Nc1cn[nH]c1[C@H]1CC[NH2+]C1)[C@H]1CCc2nccn2C1 ZINC001549738710 1014436087 /nfs/dbraw/zinc/43/60/87/1014436087.db2.gz UDYVLFRKBNLWCN-QWRGUYRKSA-N 1 3 300.366 0.884 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnn3c2CNCC3)C1 ZINC001549751960 1014445929 /nfs/dbraw/zinc/44/59/29/1014445929.db2.gz IMXNAFDCSZEPAK-VYDXJSESSA-N 1 3 319.453 0.847 20 0 DCADHO CN1CC[C@](O)(CNC(=O)Nc2ccc([C@H]3C[C@@H]3[NH3+])cc2)C1 ZINC001549783916 1014458479 /nfs/dbraw/zinc/45/84/79/1014458479.db2.gz JKKVBXSWRCDDAT-YCPHGPKFSA-N 1 3 304.394 0.689 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550062353 1014540531 /nfs/dbraw/zinc/54/05/31/1014540531.db2.gz JBZJVYBXVWRBEV-GXTWGEPZSA-N 1 3 306.414 0.242 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550062353 1014540538 /nfs/dbraw/zinc/54/05/38/1014540538.db2.gz JBZJVYBXVWRBEV-GXTWGEPZSA-N 1 3 306.414 0.242 20 0 DCADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)[C@H]1CN2CCC[C@H]2CO1 ZINC001550076537 1014551462 /nfs/dbraw/zinc/55/14/62/1014551462.db2.gz WPOPUYACIRQZAX-YLFCFFPRSA-N 1 3 315.417 0.721 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)nn1 ZINC001550095193 1014566465 /nfs/dbraw/zinc/56/64/65/1014566465.db2.gz BYELLGVSOPTOFR-CQSZACIVSA-N 1 3 318.425 0.386 20 0 DCADHO COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CNCCO3)C[C@@H]2[NH3+])cc1 ZINC001550103340 1014571130 /nfs/dbraw/zinc/57/11/30/1014571130.db2.gz VQZOMQJMCFNIMC-PMPSAXMXSA-N 1 3 319.405 0.327 20 0 DCADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112407 1014577075 /nfs/dbraw/zinc/57/70/75/1014577075.db2.gz BJYUHICHMYVELT-IHRRRGAJSA-N 1 3 313.417 0.599 20 0 DCADHO O=C(C[C@@H]1CCNC[C@@H]1F)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550112409 1014577639 /nfs/dbraw/zinc/57/76/39/1014577639.db2.gz BJYUHICHMYVELT-MJBXVCDLSA-N 1 3 313.417 0.599 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383055969 984646182 /nfs/dbraw/zinc/64/61/82/984646182.db2.gz RXBGGVQGCLHRCY-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383055969 984646185 /nfs/dbraw/zinc/64/61/85/984646185.db2.gz RXBGGVQGCLHRCY-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001383318381 984768915 /nfs/dbraw/zinc/76/89/15/984768915.db2.gz GDDQLYJPHVZOBI-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001385300891 986230360 /nfs/dbraw/zinc/23/03/60/986230360.db2.gz ONPDVYUUWVPUEK-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001386045543 986779818 /nfs/dbraw/zinc/77/98/18/986779818.db2.gz ZFHSHMIATXXTGJ-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001386045543 986779827 /nfs/dbraw/zinc/77/98/27/986779827.db2.gz ZFHSHMIATXXTGJ-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001386315424 987067700 /nfs/dbraw/zinc/06/77/00/987067700.db2.gz QTCDUYKZURXQTN-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001386315424 987067708 /nfs/dbraw/zinc/06/77/08/987067708.db2.gz QTCDUYKZURXQTN-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001552153426 1015293794 /nfs/dbraw/zinc/29/37/94/1015293794.db2.gz YZHZLZOFCFQLDB-WCVJEAGWSA-N 1 3 307.438 0.602 20 0 DCADHO CN(CCNC(=O)[C@H]1CCCN1C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001386831126 987436544 /nfs/dbraw/zinc/43/65/44/987436544.db2.gz YXSMRHFICUHUGF-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)[C@H]1CCCN1C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001386831126 987436546 /nfs/dbraw/zinc/43/65/46/987436546.db2.gz YXSMRHFICUHUGF-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001387111545 987640944 /nfs/dbraw/zinc/64/09/44/987640944.db2.gz PVYOFAQWPKGWKE-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001387111545 987640948 /nfs/dbraw/zinc/64/09/48/987640948.db2.gz PVYOFAQWPKGWKE-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001387133699 987651941 /nfs/dbraw/zinc/65/19/41/987651941.db2.gz IMXUDOWEEWSRGA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001387133699 987651944 /nfs/dbraw/zinc/65/19/44/987651944.db2.gz IMXUDOWEEWSRGA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCN1C ZINC001387803973 988164919 /nfs/dbraw/zinc/16/49/19/988164919.db2.gz PBSFNISWDDMHES-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001387820704 988182719 /nfs/dbraw/zinc/18/27/19/988182719.db2.gz YRJSPAHXTXAZQO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001387820704 988182723 /nfs/dbraw/zinc/18/27/23/988182723.db2.gz YRJSPAHXTXAZQO-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001387923345 988289018 /nfs/dbraw/zinc/28/90/18/988289018.db2.gz USVZVUJLFOOVPO-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001388746269 988555401 /nfs/dbraw/zinc/55/54/01/988555401.db2.gz OHRHNWJCAOZONL-MGPQQGTHSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)[C@H]1CCCN1C ZINC001388895053 988656185 /nfs/dbraw/zinc/65/61/85/988656185.db2.gz SYPVHKHVJXFCKF-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001389202596 988979992 /nfs/dbraw/zinc/97/99/92/988979992.db2.gz QHJMIEKVGAMIBE-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001389202596 988979993 /nfs/dbraw/zinc/97/99/93/988979993.db2.gz QHJMIEKVGAMIBE-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001389249348 989028995 /nfs/dbraw/zinc/02/89/95/989028995.db2.gz MVWIODXASLEWPB-OKILXGFUSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001389249348 989029001 /nfs/dbraw/zinc/02/90/01/989029001.db2.gz MVWIODXASLEWPB-OKILXGFUSA-N 1 3 324.469 0.526 20 0 DCADHO CN1CC[C@@H](N2CCC3(C[C@H]3NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001389521852 989358422 /nfs/dbraw/zinc/35/84/22/989358422.db2.gz JFZQNCPMLWCOFK-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@H]1n1ccnn1 ZINC001552679606 1015489210 /nfs/dbraw/zinc/48/92/10/1015489210.db2.gz GYKLXCVYGDXFQS-GHMZBOCLSA-N 1 3 318.406 0.010 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001390081188 989802914 /nfs/dbraw/zinc/80/29/14/989802914.db2.gz BSMYQJKTUZKPQQ-INIZCTEOSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001390151517 989870952 /nfs/dbraw/zinc/87/09/52/989870952.db2.gz OMZNBJVNPLHFJL-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001390161145 989879071 /nfs/dbraw/zinc/87/90/71/989879071.db2.gz SJAYEZFDOTUXNZ-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001390407425 990072894 /nfs/dbraw/zinc/07/28/94/990072894.db2.gz UOEDSPCDZGMUFI-STQMWFEESA-N 1 3 320.441 0.344 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1cnn(C)c1 ZINC001390456406 990120435 /nfs/dbraw/zinc/12/04/35/990120435.db2.gz YLVFYSSROFRCRI-YDHLFZDLSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1cnn(C)c1 ZINC001390456406 990120440 /nfs/dbraw/zinc/12/04/40/990120440.db2.gz YLVFYSSROFRCRI-YDHLFZDLSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001390536184 990183633 /nfs/dbraw/zinc/18/36/33/990183633.db2.gz HJWIJZRFTQRITN-ZIAGYGMSSA-N 1 3 314.474 0.676 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001390562969 990202342 /nfs/dbraw/zinc/20/23/42/990202342.db2.gz ALNQCOOQDWLCSO-GXSJLCMTSA-N 1 3 320.315 0.456 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001390709346 990318562 /nfs/dbraw/zinc/31/85/62/990318562.db2.gz ARQQUXSUFBZMSZ-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)CCc1ccnn1C ZINC001390990830 990505813 /nfs/dbraw/zinc/50/58/13/990505813.db2.gz VDEGSCKADHHNSK-UHFFFAOYSA-N 1 3 319.453 0.497 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H](CC)C(N)=O)C1 ZINC001391222241 990681688 /nfs/dbraw/zinc/68/16/88/990681688.db2.gz FERAIMXJPFUPCF-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN[C@H](CC)C(N)=O)C1 ZINC001391222241 990681692 /nfs/dbraw/zinc/68/16/92/990681692.db2.gz FERAIMXJPFUPCF-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CC(=O)N1CCO[C@H]2CN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC001553014195 1015591516 /nfs/dbraw/zinc/59/15/16/1015591516.db2.gz MCNRZBCFXKGUMT-QHEDDYRISA-N 1 3 307.438 0.839 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N(C)C1CC1 ZINC001391721923 991132977 /nfs/dbraw/zinc/13/29/77/991132977.db2.gz NJNSKZAOWRCNRE-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001391724701 991137605 /nfs/dbraw/zinc/13/76/05/991137605.db2.gz ASHIXMWGDKERPO-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]CC(=O)NC(C)(C)C ZINC001391734976 991144729 /nfs/dbraw/zinc/14/47/29/991144729.db2.gz FHDPOVVMPWDPFZ-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001391734986 991145333 /nfs/dbraw/zinc/14/53/33/991145333.db2.gz FHDPOVVMPWDPFZ-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO CCNC(=O)CN1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001391870841 991242326 /nfs/dbraw/zinc/24/23/26/991242326.db2.gz PZSYMGDBCWDNLZ-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO NC(=O)CNC1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001392011185 991394453 /nfs/dbraw/zinc/39/44/53/991394453.db2.gz JJUKTPXVJSJDOM-UHFFFAOYSA-N 1 3 322.453 0.366 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(N)=O ZINC001392191632 991590212 /nfs/dbraw/zinc/59/02/12/991590212.db2.gz FCYWOMZBJSNBSQ-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(N)=O ZINC001392191632 991590223 /nfs/dbraw/zinc/59/02/23/991590223.db2.gz FCYWOMZBJSNBSQ-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001392253155 991657753 /nfs/dbraw/zinc/65/77/53/991657753.db2.gz WHHUCQHHKBDURR-HIFRSBDPSA-N 1 3 307.442 0.602 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001392253155 991657758 /nfs/dbraw/zinc/65/77/58/991657758.db2.gz WHHUCQHHKBDURR-HIFRSBDPSA-N 1 3 307.442 0.602 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001392320493 991751386 /nfs/dbraw/zinc/75/13/86/991751386.db2.gz ZHYATIPESDDTOF-HNNXBMFYSA-N 1 3 309.458 0.693 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001392320493 991751397 /nfs/dbraw/zinc/75/13/97/991751397.db2.gz ZHYATIPESDDTOF-HNNXBMFYSA-N 1 3 309.458 0.693 20 0 DCADHO CN1C(=O)N[C@@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC[C@H]21 ZINC001553301393 1015666018 /nfs/dbraw/zinc/66/60/18/1015666018.db2.gz DHXBYEROSCXCGG-BFHYXJOUSA-N 1 3 308.426 0.243 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001392452761 991947061 /nfs/dbraw/zinc/94/70/61/991947061.db2.gz SVDJPDUCSOBPTC-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)CN(C)C1CCC1 ZINC001392483660 991990993 /nfs/dbraw/zinc/99/09/93/991990993.db2.gz ZNBDJCPLWRNINT-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@]2(CCN([C@@H]3CCCNC3=O)C2)C1 ZINC001392990724 992607077 /nfs/dbraw/zinc/60/70/77/992607077.db2.gz GSYOVSUTGAGBDE-PBHICJAKSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001393226014 992757756 /nfs/dbraw/zinc/75/77/56/992757756.db2.gz WHXJOTNNEMHJOT-ZIAGYGMSSA-N 1 3 313.442 0.107 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001393473671 993019579 /nfs/dbraw/zinc/01/95/79/993019579.db2.gz NMTIDYHZDDNBOP-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001393477622 993021775 /nfs/dbraw/zinc/02/17/75/993021775.db2.gz MTRILZAOPJZDIN-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001393477622 993021779 /nfs/dbraw/zinc/02/17/79/993021779.db2.gz MTRILZAOPJZDIN-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCC1 ZINC001393569827 993091382 /nfs/dbraw/zinc/09/13/82/993091382.db2.gz NVDWZEAKKUTIPL-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001393582473 993103122 /nfs/dbraw/zinc/10/31/22/993103122.db2.gz DABUIDLGIPKXDE-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC001393926652 993348193 /nfs/dbraw/zinc/34/81/93/993348193.db2.gz HHGMUNPMIBMLIE-UONOGXRCSA-N 1 3 321.469 0.930 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC001394003802 993405036 /nfs/dbraw/zinc/40/50/36/993405036.db2.gz OWBZCQRSSBDKMV-KGLIPLIRSA-N 1 3 314.474 0.676 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)CCc1ccnn1C ZINC001399646485 993632555 /nfs/dbraw/zinc/63/25/55/993632555.db2.gz ULWUDGAHGLZQGL-UHFFFAOYSA-N 1 3 305.426 0.106 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCNC1=O ZINC001394495091 993767344 /nfs/dbraw/zinc/76/73/44/993767344.db2.gz IPRFFGSYDFZIID-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCn2cncn2)C[C@@H]1C ZINC001394678677 994014679 /nfs/dbraw/zinc/01/46/79/994014679.db2.gz JLHWBDHDJLGNHP-UONOGXRCSA-N 1 3 308.430 0.197 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001400035267 994081565 /nfs/dbraw/zinc/08/15/65/994081565.db2.gz YWRCBZBDTDVZSW-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCN(CCn2cccn2)C2CC2)C1 ZINC001400035267 994081581 /nfs/dbraw/zinc/08/15/81/994081581.db2.gz YWRCBZBDTDVZSW-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1)N(C)C ZINC001400099850 994153934 /nfs/dbraw/zinc/15/39/34/994153934.db2.gz KSCGMGRXJCFAGF-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1)N(C)C ZINC001400099850 994153941 /nfs/dbraw/zinc/15/39/41/994153941.db2.gz KSCGMGRXJCFAGF-MJBXVCDLSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H]([NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001400110739 994162893 /nfs/dbraw/zinc/16/28/93/994162893.db2.gz RMDIZDJIOISVIV-RISCZKNCSA-N 1 3 321.425 0.433 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001394855441 994215360 /nfs/dbraw/zinc/21/53/60/994215360.db2.gz HEAYGTHYWIUFSL-PFSRBDOWSA-N 1 3 315.458 0.159 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001400221208 994302741 /nfs/dbraw/zinc/30/27/41/994302741.db2.gz FOPWZNQXHYUHDB-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001400221208 994302750 /nfs/dbraw/zinc/30/27/50/994302750.db2.gz FOPWZNQXHYUHDB-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)CCC[NH+](C)C)CCC1 ZINC001400487343 994575658 /nfs/dbraw/zinc/57/56/58/994575658.db2.gz URMYZLIRAFZNEP-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001395580378 994775686 /nfs/dbraw/zinc/77/56/86/994775686.db2.gz AZPXCVHXURXEQB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001395580378 994775700 /nfs/dbraw/zinc/77/57/00/994775700.db2.gz AZPXCVHXURXEQB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001400764413 994895269 /nfs/dbraw/zinc/89/52/69/994895269.db2.gz XGBARZSWIVDXTK-UHFFFAOYSA-N 1 3 310.442 0.092 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397234891 995877218 /nfs/dbraw/zinc/87/72/18/995877218.db2.gz UNIWPYZTMVWLMN-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001397234891 995877224 /nfs/dbraw/zinc/87/72/24/995877224.db2.gz UNIWPYZTMVWLMN-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001397279518 995902863 /nfs/dbraw/zinc/90/28/63/995902863.db2.gz OUNZTNHHKPSSEC-UXXRCYHCSA-N 1 3 324.469 0.430 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001397279518 995902868 /nfs/dbraw/zinc/90/28/68/995902868.db2.gz OUNZTNHHKPSSEC-UXXRCYHCSA-N 1 3 324.469 0.430 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001397444814 996003559 /nfs/dbraw/zinc/00/35/59/996003559.db2.gz BZKFSEYZZMTIFV-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)CCC1 ZINC001397600995 996090307 /nfs/dbraw/zinc/09/03/07/996090307.db2.gz CIIPCYFGAXJXPA-OKILXGFUSA-N 1 3 320.441 0.247 20 0 DCADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1CCCN1C ZINC001397978022 996290050 /nfs/dbraw/zinc/29/00/50/996290050.db2.gz NHYPJWZNEONUGN-AWEZNQCLSA-N 1 3 322.453 0.284 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001398118271 996371909 /nfs/dbraw/zinc/37/19/09/996371909.db2.gz RGYPUQDEIPJEJH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001398118271 996371912 /nfs/dbraw/zinc/37/19/12/996371912.db2.gz RGYPUQDEIPJEJH-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)[C@H]1CCCN1C ZINC001398151484 996388559 /nfs/dbraw/zinc/38/85/59/996388559.db2.gz RYLCAEPRBHRNKZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)[C@H]1CCCN1C ZINC001398151484 996388566 /nfs/dbraw/zinc/38/85/66/996388566.db2.gz RYLCAEPRBHRNKZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]Cc2cnn(C)c2)C2CC2)C1 ZINC001398461469 996528732 /nfs/dbraw/zinc/52/87/32/996528732.db2.gz XQBUXPJAEKOESO-CJNGLKHVSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@@H](C(N)=O)N(C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398473738 996533933 /nfs/dbraw/zinc/53/39/33/996533933.db2.gz NLWGGTBLZFFXFL-KGLIPLIRSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H](CN(C)C(=O)CCCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001507163582 1016046159 /nfs/dbraw/zinc/04/61/59/1016046159.db2.gz MEDRGRYOYRPEQK-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1)N(C)C ZINC001398619546 996606952 /nfs/dbraw/zinc/60/69/52/996606952.db2.gz DXNWZLFNDLRZKU-ZNMIVQPWSA-N 1 3 324.469 0.432 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001398621273 996608678 /nfs/dbraw/zinc/60/86/78/996608678.db2.gz AHAPXPKYUMBTIS-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001398621273 996608681 /nfs/dbraw/zinc/60/86/81/996608681.db2.gz AHAPXPKYUMBTIS-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001398789112 996688324 /nfs/dbraw/zinc/68/83/24/996688324.db2.gz FXEHQIHGRISQIE-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001398789112 996688327 /nfs/dbraw/zinc/68/83/27/996688327.db2.gz FXEHQIHGRISQIE-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001502762677 1016061161 /nfs/dbraw/zinc/06/11/61/1016061161.db2.gz ULLDMVWCOIYVSL-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001399011188 996827087 /nfs/dbraw/zinc/82/70/87/996827087.db2.gz ASBRIDAPJSZHLW-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(CC)C1=O ZINC001404325306 996983349 /nfs/dbraw/zinc/98/33/49/996983349.db2.gz OSVZXTJPHJMIBH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(CC)C1=O ZINC001404325306 996983358 /nfs/dbraw/zinc/98/33/58/996983358.db2.gz OSVZXTJPHJMIBH-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)CC1 ZINC001399187750 997072341 /nfs/dbraw/zinc/07/23/41/997072341.db2.gz MDQOGMYUMOGPBN-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CC)C(=O)[C@H](C)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001399187613 997072566 /nfs/dbraw/zinc/07/25/66/997072566.db2.gz STVNDKMAAZJTPH-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001404406058 997078690 /nfs/dbraw/zinc/07/86/90/997078690.db2.gz VVRXQNFIELXDJM-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001404406058 997078701 /nfs/dbraw/zinc/07/87/01/997078701.db2.gz VVRXQNFIELXDJM-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001399270807 997145671 /nfs/dbraw/zinc/14/56/71/997145671.db2.gz PRELSZJIGGRETL-GJZGRUSLSA-N 1 3 322.457 0.637 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001404573223 997244485 /nfs/dbraw/zinc/24/44/85/997244485.db2.gz GQWMXRYYAAUOHI-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001404573223 997244495 /nfs/dbraw/zinc/24/44/95/997244495.db2.gz GQWMXRYYAAUOHI-HIFRSBDPSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CC(N)=O ZINC001399389146 997299650 /nfs/dbraw/zinc/29/96/50/997299650.db2.gz JHUMUFWGAKUZRK-IAQYHMDHSA-N 1 3 316.421 0.169 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001404662154 997355179 /nfs/dbraw/zinc/35/51/79/997355179.db2.gz YTLAWMWJUPTBRA-ZDUSSCGKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)CC[NH+](C)C ZINC001405088423 997772285 /nfs/dbraw/zinc/77/22/85/997772285.db2.gz LLQRXFZJWLYJES-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H](C)C(N)=O ZINC001405273021 998043732 /nfs/dbraw/zinc/04/37/32/998043732.db2.gz UVFJIZOPGOKRHU-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001405301170 998081127 /nfs/dbraw/zinc/08/11/27/998081127.db2.gz JKQBEMSWRADWTH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cncn1 ZINC001405311224 998095047 /nfs/dbraw/zinc/09/50/47/998095047.db2.gz VKEOTVKTWBNBLZ-KGLIPLIRSA-N 1 3 308.430 0.104 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CCC1CCOCC1 ZINC001507258338 1016189642 /nfs/dbraw/zinc/18/96/42/1016189642.db2.gz ZLNNZTVADXSHFQ-CQSZACIVSA-N 1 3 324.425 0.144 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCCC1 ZINC001405429536 998219063 /nfs/dbraw/zinc/21/90/63/998219063.db2.gz ZPVVKWNQESWSLW-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CCCN(C)CC(=O)N1CCC(CC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001405499840 998278402 /nfs/dbraw/zinc/27/84/02/998278402.db2.gz JFHGPKWKKQIELR-ZDUSSCGKSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+][C@@H](C)C(N)=O ZINC001405734536 998514432 /nfs/dbraw/zinc/51/44/32/998514432.db2.gz IKNHDELNGZXSQK-STQMWFEESA-N 1 3 320.437 0.578 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](C)CNCc1cn(C)nn1)[NH+](C)C ZINC001405733953 998515063 /nfs/dbraw/zinc/51/50/63/998515063.db2.gz OKLYLIQSDAGUHY-GXTWGEPZSA-N 1 3 310.446 0.243 20 0 DCADHO COc1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001405745957 998527150 /nfs/dbraw/zinc/52/71/50/998527150.db2.gz VIFZCMMRAWHJJK-OLZOCXBDSA-N 1 3 321.425 0.279 20 0 DCADHO COc1ccc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001405745957 998527161 /nfs/dbraw/zinc/52/71/61/998527161.db2.gz VIFZCMMRAWHJJK-OLZOCXBDSA-N 1 3 321.425 0.279 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001405759592 998539362 /nfs/dbraw/zinc/53/93/62/998539362.db2.gz VMJHLNGDSYUESU-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C[C@H]1C ZINC001507328398 1016255398 /nfs/dbraw/zinc/25/53/98/1016255398.db2.gz PCJNHBYWUCUFRQ-ZBFHGGJFSA-N 1 3 321.469 0.883 20 0 DCADHO C[N@H+](CCn1cncn1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001505461835 1016259838 /nfs/dbraw/zinc/25/98/38/1016259838.db2.gz KAYWIQLDWUEAOC-HNNXBMFYSA-N 1 3 320.441 0.297 20 0 DCADHO C[N@@H+](CCn1cncn1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001505461835 1016259843 /nfs/dbraw/zinc/25/98/43/1016259843.db2.gz KAYWIQLDWUEAOC-HNNXBMFYSA-N 1 3 320.441 0.297 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H](N[C@H]2CCCNC2=O)C(C)(C)C1 ZINC001507441836 1016332397 /nfs/dbraw/zinc/33/23/97/1016332397.db2.gz DGAARMDUQNGYPQ-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401229934 1000290784 /nfs/dbraw/zinc/29/07/84/1000290784.db2.gz ACHAZLQASHUONK-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001401256697 1000313567 /nfs/dbraw/zinc/31/35/67/1000313567.db2.gz NSDDKIFEFVHPDA-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C(C)C)n[nH]1 ZINC001401329143 1000355489 /nfs/dbraw/zinc/35/54/89/1000355489.db2.gz CHJIJMRFSPZMRQ-ZDUSSCGKSA-N 1 3 322.457 0.685 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001417074558 1000466628 /nfs/dbraw/zinc/46/66/28/1000466628.db2.gz FOKCRAIZKIQQPP-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001418726132 1000477218 /nfs/dbraw/zinc/47/72/18/1000477218.db2.gz RXCCTHKSTAYXLK-UONOGXRCSA-N 1 3 322.457 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001418737132 1000484000 /nfs/dbraw/zinc/48/40/00/1000484000.db2.gz GFCIOCAERNYHTL-ILXRZTDVSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CCN[C@H]1CCN(C(C)C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401604008 1000540064 /nfs/dbraw/zinc/54/00/64/1000540064.db2.gz ACVCPGGZPICAGK-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H]1CCN(C(C)C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401604008 1000540071 /nfs/dbraw/zinc/54/00/71/1000540071.db2.gz ACVCPGGZPICAGK-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1)N(C)C ZINC001401649516 1000588935 /nfs/dbraw/zinc/58/89/35/1000588935.db2.gz XJRNHJHQBCVALM-RDBSUJKOSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CC[C@H](NC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001401699560 1000637571 /nfs/dbraw/zinc/63/75/71/1000637571.db2.gz GGKLUEBOURJZAO-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO COc1ncc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c(C)n1 ZINC001401719038 1000656301 /nfs/dbraw/zinc/65/63/01/1000656301.db2.gz CZRUSAXRDFUMRI-AAEUAGOBSA-N 1 3 321.425 0.340 20 0 DCADHO COc1ncc(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001401719038 1000656305 /nfs/dbraw/zinc/65/63/05/1000656305.db2.gz CZRUSAXRDFUMRI-AAEUAGOBSA-N 1 3 321.425 0.340 20 0 DCADHO C[C@@H](C[N@H+](C)CCn1cccn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001401776900 1000715808 /nfs/dbraw/zinc/71/58/08/1000715808.db2.gz IHFQPAUGFASSQA-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](C[N@@H+](C)CCn1cccn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001401776900 1000715809 /nfs/dbraw/zinc/71/58/09/1000715809.db2.gz IHFQPAUGFASSQA-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](CN(C)Cc1ccc(C(N)=O)cc1)NC(=O)CC[NH+](C)C ZINC001401783167 1000722609 /nfs/dbraw/zinc/72/26/09/1000722609.db2.gz PPEYFMKLLWNMHW-CYBMUJFWSA-N 1 3 320.437 0.674 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCCC1 ZINC001401858453 1000792104 /nfs/dbraw/zinc/79/21/04/1000792104.db2.gz BQIKWTMCTVBDDS-GDBMZVCRSA-N 1 3 324.469 0.467 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001401862186 1000796580 /nfs/dbraw/zinc/79/65/80/1000796580.db2.gz FFAFZJVHEHULED-WFASDCNBSA-N 1 3 306.410 0.782 20 0 DCADHO C[C@H](NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)C(=O)N(C)C ZINC001401878541 1000811833 /nfs/dbraw/zinc/81/18/33/1000811833.db2.gz WBLHXNSPCXGMKW-JSGCOSHPSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)N[C@H]1CCNC1=O ZINC001419259948 1000926919 /nfs/dbraw/zinc/92/69/19/1000926919.db2.gz IBMHTYKGQVYZNI-GJZGRUSLSA-N 1 3 324.469 0.480 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001419342333 1000988154 /nfs/dbraw/zinc/98/81/54/1000988154.db2.gz QUZHJASMHIDPNG-XJKSGUPXSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001419342333 1000988156 /nfs/dbraw/zinc/98/81/56/1000988156.db2.gz QUZHJASMHIDPNG-XJKSGUPXSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)N1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001402101127 1001014761 /nfs/dbraw/zinc/01/47/61/1001014761.db2.gz JWUHECBRMIOBPG-INIZCTEOSA-N 1 3 308.470 0.470 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419418269 1001034192 /nfs/dbraw/zinc/03/41/92/1001034192.db2.gz LGXSVABFWQMHOS-JOCQHMNTSA-N 1 3 308.430 0.377 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cnns1 ZINC001419464833 1001072204 /nfs/dbraw/zinc/07/22/04/1001072204.db2.gz BVUGTYPCQTZMIK-LLVKDONJSA-N 1 3 311.455 0.864 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001419477018 1001083957 /nfs/dbraw/zinc/08/39/57/1001083957.db2.gz WAVTWYJNPIZMJV-GUTXKFCHSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001419491380 1001093847 /nfs/dbraw/zinc/09/38/47/1001093847.db2.gz JOLQGKGGZGIRNF-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNCc1ccn(C)n1)CNC(=O)C12CC[NH+](CC1)C2 ZINC001419525058 1001114768 /nfs/dbraw/zinc/11/47/68/1001114768.db2.gz DBAINPKOJOAPFR-ZDUSSCGKSA-N 1 3 305.426 0.358 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419559869 1001140566 /nfs/dbraw/zinc/14/05/66/1001140566.db2.gz GJEORAFDQYLGPD-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001419564729 1001143224 /nfs/dbraw/zinc/14/32/24/1001143224.db2.gz RWOZUIKJYCWMMO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001419730728 1001259535 /nfs/dbraw/zinc/25/95/35/1001259535.db2.gz DCICLWBZNQQEIP-KGLIPLIRSA-N 1 3 308.430 0.245 20 0 DCADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001419772082 1001295920 /nfs/dbraw/zinc/29/59/20/1001295920.db2.gz PZXURKADHIPHBE-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001402502589 1001364159 /nfs/dbraw/zinc/36/41/59/1001364159.db2.gz OGGCXRUDSFLCTM-JOCQHMNTSA-N 1 3 320.441 0.519 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001402751404 1001488937 /nfs/dbraw/zinc/48/89/37/1001488937.db2.gz AYUARARBRKZBLH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1cnc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001402858612 1001539105 /nfs/dbraw/zinc/53/91/05/1001539105.db2.gz QZDOVOMEUJDZBA-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CN[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001402858612 1001539107 /nfs/dbraw/zinc/53/91/07/1001539107.db2.gz QZDOVOMEUJDZBA-GXTWGEPZSA-N 1 3 305.426 0.721 20 0 DCADHO COC[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001402931825 1001587129 /nfs/dbraw/zinc/58/71/29/1001587129.db2.gz IWFFNYWGERJSNR-RRFJBIMHSA-N 1 3 313.442 0.011 20 0 DCADHO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001402931825 1001587132 /nfs/dbraw/zinc/58/71/32/1001587132.db2.gz IWFFNYWGERJSNR-RRFJBIMHSA-N 1 3 313.442 0.011 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)NCC)C1 ZINC001402987198 1001620022 /nfs/dbraw/zinc/62/00/22/1001620022.db2.gz SLJVAPHFZHOLQX-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCC(=O)NCC)C1 ZINC001402987198 1001620026 /nfs/dbraw/zinc/62/00/26/1001620026.db2.gz SLJVAPHFZHOLQX-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001403009492 1001630447 /nfs/dbraw/zinc/63/04/47/1001630447.db2.gz LZJAYQNNIGGOSC-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001403009021 1001630500 /nfs/dbraw/zinc/63/05/00/1001630500.db2.gz LIBWISPTPPTMMT-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)N1CCC1 ZINC001403008029 1001630582 /nfs/dbraw/zinc/63/05/82/1001630582.db2.gz ONHQYVSEBBEZMY-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001403034841 1001642556 /nfs/dbraw/zinc/64/25/56/1001642556.db2.gz WBRKJIPWBWEZIZ-STQMWFEESA-N 1 3 307.442 0.887 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)CC1CC1 ZINC001403083596 1001666142 /nfs/dbraw/zinc/66/61/42/1001666142.db2.gz LPUXJAONKNAQLI-CYBMUJFWSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)NCC(=O)N2CCC2)CC1 ZINC001403090318 1001669452 /nfs/dbraw/zinc/66/94/52/1001669452.db2.gz SVNGGDUQQFDOCU-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCc1ccnn1C ZINC001403169231 1001704359 /nfs/dbraw/zinc/70/43/59/1001704359.db2.gz QDTXWOGSSDBXGV-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1)N(C)C ZINC001403173219 1001706401 /nfs/dbraw/zinc/70/64/01/1001706401.db2.gz LMSOXGYXTYEAPN-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1cc(CN[C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001403283563 1001778894 /nfs/dbraw/zinc/77/88/94/1001778894.db2.gz OCRLAABOKLINKE-OLZOCXBDSA-N 1 3 308.430 0.284 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(CCc2cnn(C)c2)C1 ZINC001403315148 1001804565 /nfs/dbraw/zinc/80/45/65/1001804565.db2.gz AJBYCZMEDCVNEU-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(CCc2cnn(C)c2)C1 ZINC001403315148 1001804574 /nfs/dbraw/zinc/80/45/74/1001804574.db2.gz AJBYCZMEDCVNEU-AWEZNQCLSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H](F)CN1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001424649197 1001881913 /nfs/dbraw/zinc/88/19/13/1001881913.db2.gz RCJHQTWCMDMTPZ-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO Cc1nccnc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001403363024 1001882990 /nfs/dbraw/zinc/88/29/90/1001882990.db2.gz SLSLJJUFGAWIJE-IUODEOHRSA-N 1 3 305.426 0.864 20 0 DCADHO CN(CC(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1)C1CCC1 ZINC001505780874 1016552601 /nfs/dbraw/zinc/55/26/01/1016552601.db2.gz PUHHNKVYEUHREN-UHFFFAOYSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cc2n(n1)CCC2 ZINC001420165209 1001961078 /nfs/dbraw/zinc/96/10/78/1001961078.db2.gz UBEHLNJJGHXZNG-ZIAGYGMSSA-N 1 3 319.453 0.765 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cc2n(n1)CCC2 ZINC001420165209 1001961085 /nfs/dbraw/zinc/96/10/85/1001961085.db2.gz UBEHLNJJGHXZNG-ZIAGYGMSSA-N 1 3 319.453 0.765 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC1CC(NC(=O)CN(C)C(C)C)C1 ZINC001424736392 1001961617 /nfs/dbraw/zinc/96/16/17/1001961617.db2.gz VKGDTBDCQCSPPM-UHFFFAOYSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424817884 1002059628 /nfs/dbraw/zinc/05/96/28/1002059628.db2.gz HKUSDFCNEUVNFY-OLZOCXBDSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(=O)NC(C)(C)C ZINC001424868496 1002109156 /nfs/dbraw/zinc/10/91/56/1002109156.db2.gz ZCIQJHKQTZHXDN-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[N@H+](C)CC ZINC001420248200 1002111148 /nfs/dbraw/zinc/11/11/48/1002111148.db2.gz WVTRRDPBFWEDPJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)CC[N@@H+](C)CC ZINC001420248200 1002111153 /nfs/dbraw/zinc/11/11/53/1002111153.db2.gz WVTRRDPBFWEDPJ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)N(C)CCn1cncn1 ZINC001424968128 1002193801 /nfs/dbraw/zinc/19/38/01/1002193801.db2.gz RPFSONLBXKXKRT-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)N(C)CCn1cncn1 ZINC001424968128 1002193807 /nfs/dbraw/zinc/19/38/07/1002193807.db2.gz RPFSONLBXKXKRT-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001420311150 1002206770 /nfs/dbraw/zinc/20/67/70/1002206770.db2.gz FZKJKZYAEWOHMO-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001420311150 1002206778 /nfs/dbraw/zinc/20/67/78/1002206778.db2.gz FZKJKZYAEWOHMO-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)CCn1cccn1 ZINC001424999557 1002230609 /nfs/dbraw/zinc/23/06/09/1002230609.db2.gz OCMGYLCFUUDAPN-AWEZNQCLSA-N 1 3 307.442 0.661 20 0 DCADHO Cc1ncc(CN[C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001403628241 1002232580 /nfs/dbraw/zinc/23/25/80/1002232580.db2.gz IIWBPLBDUBBFCM-ZDUSSCGKSA-N 1 3 317.437 0.817 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cncn1C ZINC001420422129 1002392705 /nfs/dbraw/zinc/39/27/05/1002392705.db2.gz SORJNUKHOIEHQZ-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cncn1C ZINC001420422129 1002392722 /nfs/dbraw/zinc/39/27/22/1002392722.db2.gz SORJNUKHOIEHQZ-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001508038386 1016616341 /nfs/dbraw/zinc/61/63/41/1016616341.db2.gz QPGURZWWPSVGAL-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C[C@@H]1C ZINC001403768113 1002493028 /nfs/dbraw/zinc/49/30/28/1002493028.db2.gz HDXGLVORBJWRFH-KBPBESRZSA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001420504586 1002519349 /nfs/dbraw/zinc/51/93/49/1002519349.db2.gz IEGRQPOSUZQNSU-QWHCGFSZSA-N 1 3 322.457 0.864 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001420504586 1002519359 /nfs/dbraw/zinc/51/93/59/1002519359.db2.gz IEGRQPOSUZQNSU-QWHCGFSZSA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@@H](C)NC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001420509683 1002526177 /nfs/dbraw/zinc/52/61/77/1002526177.db2.gz WSXPECBLSIERRB-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001403793218 1002529401 /nfs/dbraw/zinc/52/94/01/1002529401.db2.gz UCNGSKKPIGGNDP-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CC[NH+]1CCCCC1 ZINC001420518560 1002543662 /nfs/dbraw/zinc/54/36/62/1002543662.db2.gz QFMMLRHOZCSCER-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001403804575 1002548251 /nfs/dbraw/zinc/54/82/51/1002548251.db2.gz HMOMSGVKKXKVCD-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1(C)C ZINC001403804575 1002548262 /nfs/dbraw/zinc/54/82/62/1002548262.db2.gz HMOMSGVKKXKVCD-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001425346374 1002588971 /nfs/dbraw/zinc/58/89/71/1002588971.db2.gz DJLNFDBZQOTZQJ-ZQDZILKHSA-N 1 3 311.470 0.639 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001425346374 1002588979 /nfs/dbraw/zinc/58/89/79/1002588979.db2.gz DJLNFDBZQOTZQJ-ZQDZILKHSA-N 1 3 311.470 0.639 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1 ZINC001403843492 1002615616 /nfs/dbraw/zinc/61/56/16/1002615616.db2.gz VRIUFNYMGUIQJB-CYBMUJFWSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001420560476 1002620624 /nfs/dbraw/zinc/62/06/24/1002620624.db2.gz MQYJXOVQMJXVRB-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001420560476 1002620634 /nfs/dbraw/zinc/62/06/34/1002620634.db2.gz MQYJXOVQMJXVRB-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001508155040 1016673470 /nfs/dbraw/zinc/67/34/70/1016673470.db2.gz LKKRXOIORQXEAQ-GRTSSRMGSA-N 1 3 324.469 0.573 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001425580171 1002844057 /nfs/dbraw/zinc/84/40/57/1002844057.db2.gz JNIFOXDYIJEUNJ-AAEUAGOBSA-N 1 3 307.398 0.010 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001420721359 1002854171 /nfs/dbraw/zinc/85/41/71/1002854171.db2.gz CYHGLYUKASHBSK-LBPRGKRZSA-N 1 3 300.447 0.289 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001420790000 1002951664 /nfs/dbraw/zinc/95/16/64/1002951664.db2.gz XJGFWTUJUVDGGP-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420790000 1002951672 /nfs/dbraw/zinc/95/16/72/1002951672.db2.gz XJGFWTUJUVDGGP-CZUORRHYSA-N 1 3 319.453 0.746 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001404066380 1002964161 /nfs/dbraw/zinc/96/41/61/1002964161.db2.gz BWIXUMVKSPAIDR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001404066380 1002964165 /nfs/dbraw/zinc/96/41/65/1002964165.db2.gz BWIXUMVKSPAIDR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001404118381 1003031685 /nfs/dbraw/zinc/03/16/85/1003031685.db2.gz KCKUICHHMKWANL-UHFFFAOYSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001405819608 1003107812 /nfs/dbraw/zinc/10/78/12/1003107812.db2.gz VVCOMBWBRZFLES-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001405819608 1003107819 /nfs/dbraw/zinc/10/78/19/1003107819.db2.gz VVCOMBWBRZFLES-OUCADQQQSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001405818893 1003108624 /nfs/dbraw/zinc/10/86/24/1003108624.db2.gz VCBMKLYIPGWKJD-OLZOCXBDSA-N 1 3 312.458 0.561 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001420904934 1003115263 /nfs/dbraw/zinc/11/52/63/1003115263.db2.gz GMBXQYHOEKESCB-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCN1CCN(CCN(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001420904934 1003115265 /nfs/dbraw/zinc/11/52/65/1003115265.db2.gz GMBXQYHOEKESCB-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCC1)N(C)C(=O)[C@H]1CCCN1C ZINC001405846043 1003135577 /nfs/dbraw/zinc/13/55/77/1003135577.db2.gz INNDMQWVBFGQPI-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CN(C)C1CCC1 ZINC001425902399 1003241424 /nfs/dbraw/zinc/24/14/24/1003241424.db2.gz UMERQCWMYLYPPR-JSGCOSHPSA-N 1 3 322.453 0.328 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC001425902848 1003244165 /nfs/dbraw/zinc/24/41/65/1003244165.db2.gz CQVXOENPVUEAPJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCn2cncn2)C[C@@H]1C ZINC001425914331 1003252492 /nfs/dbraw/zinc/25/24/92/1003252492.db2.gz MCWVUOWEUKAENC-UONOGXRCSA-N 1 3 308.430 0.199 20 0 DCADHO CC[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1)C(N)=O ZINC001406007055 1003258934 /nfs/dbraw/zinc/25/89/34/1003258934.db2.gz WAFKERFUMRSJQU-KBPBESRZSA-N 1 3 321.425 0.577 20 0 DCADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CC(N)=O ZINC001406020177 1003272424 /nfs/dbraw/zinc/27/24/24/1003272424.db2.gz XBWOBJSHHHVLKW-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001421119017 1003340135 /nfs/dbraw/zinc/34/01/35/1003340135.db2.gz AFFMBZAMGCFSPH-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)CC1 ZINC001421128694 1003359000 /nfs/dbraw/zinc/35/90/00/1003359000.db2.gz KTSIXSAUKTZUBX-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO Cn1cncc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001421232612 1003469760 /nfs/dbraw/zinc/46/97/60/1003469760.db2.gz OWKDIRUKOZJXSH-RDJZCZTQSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)C(N)=O ZINC001421260575 1003487000 /nfs/dbraw/zinc/48/70/00/1003487000.db2.gz ZOIDCNYJFOVUFC-WFASDCNBSA-N 1 3 307.398 0.044 20 0 DCADHO C[C@H](O)CN1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001421330170 1003550554 /nfs/dbraw/zinc/55/05/54/1003550554.db2.gz FGIAOYUAKUIXDC-RYUDHWBXSA-N 1 3 307.385 0.392 20 0 DCADHO Cc1ccc(F)c(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001406276023 1003560313 /nfs/dbraw/zinc/56/03/13/1003560313.db2.gz CWGYPMGASLIEOI-ZFWWWQNUSA-N 1 3 323.412 0.653 20 0 DCADHO Cc1ccc(F)c(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001406276023 1003560319 /nfs/dbraw/zinc/56/03/19/1003560319.db2.gz CWGYPMGASLIEOI-ZFWWWQNUSA-N 1 3 323.412 0.653 20 0 DCADHO CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001421358667 1003584057 /nfs/dbraw/zinc/58/40/57/1003584057.db2.gz BWURVPOSHCELBH-CZUORRHYSA-N 1 3 313.442 0.059 20 0 DCADHO CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001421358667 1003584062 /nfs/dbraw/zinc/58/40/62/1003584062.db2.gz BWURVPOSHCELBH-CZUORRHYSA-N 1 3 313.442 0.059 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001406301831 1003584551 /nfs/dbraw/zinc/58/45/51/1003584551.db2.gz LXJAWZQRROMPPC-STQMWFEESA-N 1 3 321.412 0.829 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C)n[nH]1 ZINC001426166696 1003632659 /nfs/dbraw/zinc/63/26/59/1003632659.db2.gz OGEMTSSVMWOYEQ-QWHCGFSZSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc(CNC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C)n[nH]1 ZINC001426166696 1003632667 /nfs/dbraw/zinc/63/26/67/1003632667.db2.gz OGEMTSSVMWOYEQ-QWHCGFSZSA-N 1 3 322.457 0.685 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001406387307 1003669625 /nfs/dbraw/zinc/66/96/25/1003669625.db2.gz DIUORFOQTHIPTG-GHMZBOCLSA-N 1 3 308.430 0.610 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406545822 1003815408 /nfs/dbraw/zinc/81/54/08/1003815408.db2.gz YMIFAMZGIIVHFX-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406545822 1003815420 /nfs/dbraw/zinc/81/54/20/1003815420.db2.gz YMIFAMZGIIVHFX-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001406563552 1003851643 /nfs/dbraw/zinc/85/16/43/1003851643.db2.gz RCZIIRPJYSPVOB-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406597641 1003904586 /nfs/dbraw/zinc/90/45/86/1003904586.db2.gz DRELOAUTNAXKFM-UKRRQHHQSA-N 1 3 320.441 0.056 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001428914669 1004265446 /nfs/dbraw/zinc/26/54/46/1004265446.db2.gz OHOBSPSKSXOANF-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001407114426 1004397165 /nfs/dbraw/zinc/39/71/65/1004397165.db2.gz XFEFJOXWSNKXEQ-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCCC1 ZINC001407117765 1004398551 /nfs/dbraw/zinc/39/85/51/1004398551.db2.gz KFVRRZBSJZBNCK-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001407122494 1004403255 /nfs/dbraw/zinc/40/32/55/1004403255.db2.gz ZTKQZYWHTYKMSN-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001407122494 1004403263 /nfs/dbraw/zinc/40/32/63/1004403263.db2.gz ZTKQZYWHTYKMSN-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO Cn1ccnc1CNC[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001407225524 1004482444 /nfs/dbraw/zinc/48/24/44/1004482444.db2.gz FGZIMNYBFVEOKA-INIZCTEOSA-N 1 3 307.442 0.700 20 0 DCADHO CC[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407368030 1004597520 /nfs/dbraw/zinc/59/75/20/1004597520.db2.gz PDAHDNUPISPWFI-WBMJQRKESA-N 1 3 308.426 0.860 20 0 DCADHO CC[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001407368030 1004597525 /nfs/dbraw/zinc/59/75/25/1004597525.db2.gz PDAHDNUPISPWFI-WBMJQRKESA-N 1 3 308.426 0.860 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001427788009 1004608447 /nfs/dbraw/zinc/60/84/47/1004608447.db2.gz GDSNJNGLLZJWSD-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001407499291 1004693541 /nfs/dbraw/zinc/69/35/41/1004693541.db2.gz OXCIQOTZOYLWRZ-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001407499291 1004693545 /nfs/dbraw/zinc/69/35/45/1004693545.db2.gz OXCIQOTZOYLWRZ-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407537013 1004717653 /nfs/dbraw/zinc/71/76/53/1004717653.db2.gz KCNHYHQXHXOCAP-OLZOCXBDSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NCC(=O)NC2CC2)CCC1)[NH+](C)C ZINC001407781756 1004857746 /nfs/dbraw/zinc/85/77/46/1004857746.db2.gz FNBCWYUZWFUERF-HNNXBMFYSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001407834079 1004889992 /nfs/dbraw/zinc/88/99/92/1004889992.db2.gz RLSXJFDHCUEIAC-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001407836898 1004891780 /nfs/dbraw/zinc/89/17/80/1004891780.db2.gz XINLSXMXNPMKKI-SHTZXODSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001408409703 1005193487 /nfs/dbraw/zinc/19/34/87/1005193487.db2.gz GNGPQGTUPJQQPI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001415187649 1005477978 /nfs/dbraw/zinc/47/79/78/1005477978.db2.gz FVLNWHGJSJLDHJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001415187649 1005477980 /nfs/dbraw/zinc/47/79/80/1005477980.db2.gz FVLNWHGJSJLDHJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001416031386 1005652889 /nfs/dbraw/zinc/65/28/89/1005652889.db2.gz PLJRQKUXMXHSNH-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001416031386 1005652892 /nfs/dbraw/zinc/65/28/92/1005652892.db2.gz PLJRQKUXMXHSNH-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001417903301 1005919701 /nfs/dbraw/zinc/91/97/01/1005919701.db2.gz TYYHZLIFDQSEKW-JSGCOSHPSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2cnn(C)c2)C2CC2)CCC1 ZINC001417992767 1005949891 /nfs/dbraw/zinc/94/98/91/1005949891.db2.gz ZZCXXCIRACPZEB-OAHLLOKOSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438654833 1005994854 /nfs/dbraw/zinc/99/48/54/1005994854.db2.gz TWIZQOCZSSVHEA-GFCCVEGCSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001438655824 1005997650 /nfs/dbraw/zinc/99/76/50/1005997650.db2.gz CZGQKPKIEBAQQJ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001438655824 1005997658 /nfs/dbraw/zinc/99/76/58/1005997658.db2.gz CZGQKPKIEBAQQJ-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)NC(C)(C)C ZINC001438696794 1006040235 /nfs/dbraw/zinc/04/02/35/1006040235.db2.gz DGIUZESRGHBRAR-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)NC(C)(C)C ZINC001438696794 1006040248 /nfs/dbraw/zinc/04/02/48/1006040248.db2.gz DGIUZESRGHBRAR-ZDUSSCGKSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1)[NH+](CC)CC ZINC001418104582 1006046559 /nfs/dbraw/zinc/04/65/59/1006046559.db2.gz RILNSONOTVCJEJ-GUTXKFCHSA-N 1 3 322.457 0.672 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)CCC1 ZINC001418119114 1006067050 /nfs/dbraw/zinc/06/70/50/1006067050.db2.gz GQTQMVBNMAGNQS-BETUJISGSA-N 1 3 324.469 0.622 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418146933 1006102190 /nfs/dbraw/zinc/10/21/90/1006102190.db2.gz QZJASNLSNFLADI-CYBMUJFWSA-N 1 3 321.425 0.307 20 0 DCADHO CNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+](C)C ZINC001438780574 1006115204 /nfs/dbraw/zinc/11/52/04/1006115204.db2.gz YOIDMLVDSLZTFC-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H]1CCCNC1=O ZINC001418222898 1006198998 /nfs/dbraw/zinc/19/89/98/1006198998.db2.gz RELPOUISGJHBKH-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C ZINC001418228687 1006208702 /nfs/dbraw/zinc/20/87/02/1006208702.db2.gz GQUQFGGFSOYKCP-GDBMZVCRSA-N 1 3 321.469 0.931 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N1CCCC1 ZINC001418315367 1006355874 /nfs/dbraw/zinc/35/58/74/1006355874.db2.gz XTGPOWIGVMHIPB-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439043444 1006400992 /nfs/dbraw/zinc/40/09/92/1006400992.db2.gz CXWFURYCYAADFB-ZBFHGGJFSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439043444 1006400996 /nfs/dbraw/zinc/40/09/96/1006400996.db2.gz CXWFURYCYAADFB-ZBFHGGJFSA-N 1 3 320.437 0.299 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2ccccc2F)C1 ZINC001439045378 1006402911 /nfs/dbraw/zinc/40/29/11/1006402911.db2.gz NGUDMAWPQIUTEG-KBPBESRZSA-N 1 3 309.385 0.344 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2ccccc2F)C1 ZINC001439045378 1006402922 /nfs/dbraw/zinc/40/29/22/1006402922.db2.gz NGUDMAWPQIUTEG-KBPBESRZSA-N 1 3 309.385 0.344 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439122585 1006489691 /nfs/dbraw/zinc/48/96/91/1006489691.db2.gz QAAAXUGLSISCLW-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001439122585 1006489696 /nfs/dbraw/zinc/48/96/96/1006489696.db2.gz QAAAXUGLSISCLW-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437024783 1006535665 /nfs/dbraw/zinc/53/56/65/1006535665.db2.gz XVOPERMUPLYTEB-ZDUSSCGKSA-N 1 3 321.425 0.305 20 0 DCADHO CCCN(C)CC(=O)NC1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001437094951 1006580132 /nfs/dbraw/zinc/58/01/32/1006580132.db2.gz ZIXRCUSPLPLLPB-NRXISQOPSA-N 1 3 324.469 0.624 20 0 DCADHO CCCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001437270000 1006788502 /nfs/dbraw/zinc/78/85/02/1006788502.db2.gz YVQTYFPLVMVDRK-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001439609330 1007070008 /nfs/dbraw/zinc/07/00/08/1007070008.db2.gz JCSIKWWCZGIXPB-OAHLLOKOSA-N 1 3 319.453 0.994 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001439609325 1007071547 /nfs/dbraw/zinc/07/15/47/1007071547.db2.gz JCSIKWWCZGIXPB-HNNXBMFYSA-N 1 3 319.453 0.994 20 0 DCADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCn2cncn2)CC1)N(C)C ZINC001439650571 1007112657 /nfs/dbraw/zinc/11/26/57/1007112657.db2.gz XIOHYDBBNIHZRV-CYBMUJFWSA-N 1 3 308.430 0.103 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001439685054 1007134122 /nfs/dbraw/zinc/13/41/22/1007134122.db2.gz NGKCVINDFIKFSJ-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001439685054 1007134128 /nfs/dbraw/zinc/13/41/28/1007134128.db2.gz NGKCVINDFIKFSJ-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCCC2)C1 ZINC001439787907 1007200056 /nfs/dbraw/zinc/20/00/56/1007200056.db2.gz UIUUSECLDQVCMS-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCCC2)C1 ZINC001439787907 1007200062 /nfs/dbraw/zinc/20/00/62/1007200062.db2.gz UIUUSECLDQVCMS-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](O)CN1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001439967704 1007333190 /nfs/dbraw/zinc/33/31/90/1007333190.db2.gz HHWVADUUPBBGPB-OLZOCXBDSA-N 1 3 321.412 0.782 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCOC)C1 ZINC001439993933 1007393632 /nfs/dbraw/zinc/39/36/32/1007393632.db2.gz YKWCJZOSYDIXIM-ZBFHGGJFSA-N 1 3 313.442 0.060 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCOC)C1 ZINC001439993933 1007393645 /nfs/dbraw/zinc/39/36/45/1007393645.db2.gz YKWCJZOSYDIXIM-ZBFHGGJFSA-N 1 3 313.442 0.060 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001437830657 1007441384 /nfs/dbraw/zinc/44/13/84/1007441384.db2.gz BEWGSYBKFILSDB-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001437830657 1007441390 /nfs/dbraw/zinc/44/13/90/1007441390.db2.gz BEWGSYBKFILSDB-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001440149770 1007519896 /nfs/dbraw/zinc/51/98/96/1007519896.db2.gz JORGVBDKVPYTMB-OAGGEKHMSA-N 1 3 309.454 0.753 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001440149770 1007519905 /nfs/dbraw/zinc/51/99/05/1007519905.db2.gz JORGVBDKVPYTMB-OAGGEKHMSA-N 1 3 309.454 0.753 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001440218151 1007587201 /nfs/dbraw/zinc/58/72/01/1007587201.db2.gz ILJVWJLBMGQUCT-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](N[C@@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1)C(N)=O ZINC001440223019 1007589747 /nfs/dbraw/zinc/58/97/47/1007589747.db2.gz NPRUNMBRTKENEJ-QWHCGFSZSA-N 1 3 320.437 0.779 20 0 DCADHO CN1CC[C@@H](N2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001440395554 1007726530 /nfs/dbraw/zinc/72/65/30/1007726530.db2.gz NNISWHVJLIPMNC-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN1CC[C@@H](N2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001440401691 1007730578 /nfs/dbraw/zinc/73/05/78/1007730578.db2.gz YNVYREWWXLABOZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)NC ZINC001438312039 1007808998 /nfs/dbraw/zinc/80/89/98/1007808998.db2.gz LEAMJMFVVAJEFU-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC(=O)NC ZINC001438312039 1007809006 /nfs/dbraw/zinc/80/90/06/1007809006.db2.gz LEAMJMFVVAJEFU-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO Cn1nncc1CNCC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001438400069 1007884169 /nfs/dbraw/zinc/88/41/69/1007884169.db2.gz DRHSKBYXLDKTIB-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO CCCN(C)CC(=O)N[C@@](C)(C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001438426629 1007900601 /nfs/dbraw/zinc/90/06/01/1007900601.db2.gz NKDXXUDEEZXRAC-PBHICJAKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NC(C)(C)C ZINC001440588013 1007902370 /nfs/dbraw/zinc/90/23/70/1007902370.db2.gz IQJQHJKYLBAXAJ-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001438502850 1007955094 /nfs/dbraw/zinc/95/50/94/1007955094.db2.gz YEYMKPSRICOJBH-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001441363622 1008332597 /nfs/dbraw/zinc/33/25/97/1008332597.db2.gz DGYSKGODPBJFJV-YDHLFZDLSA-N 1 3 324.469 0.478 20 0 DCADHO COc1ccc(CN[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001441415547 1008349346 /nfs/dbraw/zinc/34/93/46/1008349346.db2.gz GXXLSCAKEVRCBJ-JOCQHMNTSA-N 1 3 307.398 0.174 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001441434863 1008355055 /nfs/dbraw/zinc/35/50/55/1008355055.db2.gz CMTMKRLLRUNZRJ-SHTZXODSSA-N 1 3 320.437 0.462 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001441622132 1008427934 /nfs/dbraw/zinc/42/79/34/1008427934.db2.gz PCPGDJZYODVWGC-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001441760973 1008491160 /nfs/dbraw/zinc/49/11/60/1008491160.db2.gz WTXMABMDFDERLF-CZUORRHYSA-N 1 3 317.449 0.922 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001441812389 1008514292 /nfs/dbraw/zinc/51/42/92/1008514292.db2.gz CXMXKTLQVRQBCP-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001441857095 1008582320 /nfs/dbraw/zinc/58/23/20/1008582320.db2.gz SUUNMBDUKHBXGA-IUODEOHRSA-N 1 3 320.437 0.720 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001441940947 1008683990 /nfs/dbraw/zinc/68/39/90/1008683990.db2.gz XKSNXLQLQGOGIZ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001441940947 1008683998 /nfs/dbraw/zinc/68/39/98/1008683998.db2.gz XKSNXLQLQGOGIZ-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001453726672 1008687789 /nfs/dbraw/zinc/68/77/89/1008687789.db2.gz JCXZRFRCAOLIBJ-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001453726672 1008687799 /nfs/dbraw/zinc/68/77/99/1008687799.db2.gz JCXZRFRCAOLIBJ-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001453726167 1008688475 /nfs/dbraw/zinc/68/84/75/1008688475.db2.gz YOEWNXPPLUMNQH-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccccc2)C1 ZINC001442007438 1008795831 /nfs/dbraw/zinc/79/58/31/1008795831.db2.gz XPVJJJAYHBPEOF-NVXWUHKLSA-N 1 3 319.449 0.937 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001421691261 1008939092 /nfs/dbraw/zinc/93/90/92/1008939092.db2.gz VLGRTWDNUKEJHP-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO COc1ncc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001442098228 1008973024 /nfs/dbraw/zinc/97/30/24/1008973024.db2.gz HYSGQVPSZINIPA-AWEZNQCLSA-N 1 3 321.425 0.436 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001433607156 1008995266 /nfs/dbraw/zinc/99/52/66/1008995266.db2.gz XCXCDFHGNCFGPE-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001442166219 1009041078 /nfs/dbraw/zinc/04/10/78/1009041078.db2.gz YZHWQVBHSYIKDS-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001442207554 1009095018 /nfs/dbraw/zinc/09/50/18/1009095018.db2.gz CHKBMMUJMLWZAD-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001442207554 1009095026 /nfs/dbraw/zinc/09/50/26/1009095026.db2.gz CHKBMMUJMLWZAD-HUUCEWRRSA-N 1 3 315.458 0.257 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001442245717 1009131444 /nfs/dbraw/zinc/13/14/44/1009131444.db2.gz BEFVXMIIXXTYII-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001442295775 1009165267 /nfs/dbraw/zinc/16/52/67/1009165267.db2.gz PRLAWCHTWADAJC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421919581 1009260102 /nfs/dbraw/zinc/26/01/02/1009260102.db2.gz AFMBIRNTFDSFPN-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001422135490 1009533464 /nfs/dbraw/zinc/53/34/64/1009533464.db2.gz NCTLTOCHHVPHHT-OLZOCXBDSA-N 1 3 300.447 0.192 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccnn1C)N(C)C ZINC001422157886 1009573378 /nfs/dbraw/zinc/57/33/78/1009573378.db2.gz YXHWXSKHVGFWSY-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1CCn1cccn1 ZINC001442815774 1009771054 /nfs/dbraw/zinc/77/10/54/1009771054.db2.gz JQIORRJKKOOTRQ-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1CCn1cccn1 ZINC001442815774 1009771067 /nfs/dbraw/zinc/77/10/67/1009771067.db2.gz JQIORRJKKOOTRQ-OAHLLOKOSA-N 1 3 307.442 0.806 20 0 DCADHO C[NH+](C)CCC(=O)NCCN(C[C@H]1CCc2ncnn21)C1CC1 ZINC001443026960 1010063864 /nfs/dbraw/zinc/06/38/64/1010063864.db2.gz DLZIFHCKWHESMF-CQSZACIVSA-N 1 3 320.441 0.298 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001422447557 1010099838 /nfs/dbraw/zinc/09/98/38/1010099838.db2.gz JBBQOOPXAYYZDF-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCN[C@H]1CCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001422453429 1010109903 /nfs/dbraw/zinc/10/99/03/1010109903.db2.gz STXLNFSMWLSRNI-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001443104221 1010143680 /nfs/dbraw/zinc/14/36/80/1010143680.db2.gz UUHJKLPVVVTJSQ-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001443336293 1010348754 /nfs/dbraw/zinc/34/87/54/1010348754.db2.gz RJGQOCMHMOINBB-HNNXBMFYSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001443336293 1010348768 /nfs/dbraw/zinc/34/87/68/1010348768.db2.gz RJGQOCMHMOINBB-HNNXBMFYSA-N 1 3 324.469 0.515 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001443347249 1010356386 /nfs/dbraw/zinc/35/63/86/1010356386.db2.gz QZXQQGRSCHLSSE-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCN(C)C2=O)C1 ZINC001443347249 1010356396 /nfs/dbraw/zinc/35/63/96/1010356396.db2.gz QZXQQGRSCHLSSE-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C(=O)CC[NH+](C)C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001443569685 1010500910 /nfs/dbraw/zinc/50/09/10/1010500910.db2.gz NBEMPXPNNOFXJU-UHFFFAOYSA-N 1 3 321.425 0.353 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001422736997 1010549597 /nfs/dbraw/zinc/54/95/97/1010549597.db2.gz VJYDYSXYMAPUFG-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO COc1cc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001422746544 1010561700 /nfs/dbraw/zinc/56/17/00/1010561700.db2.gz SHZNDPHTWUZJJX-JSGCOSHPSA-N 1 3 306.410 0.636 20 0 DCADHO COc1cc(CNC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001422746544 1010561706 /nfs/dbraw/zinc/56/17/06/1010561706.db2.gz SHZNDPHTWUZJJX-JSGCOSHPSA-N 1 3 306.410 0.636 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001423045286 1010834887 /nfs/dbraw/zinc/83/48/87/1010834887.db2.gz BDFXEZMRTDGCSB-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001423045286 1010834894 /nfs/dbraw/zinc/83/48/94/1010834894.db2.gz BDFXEZMRTDGCSB-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)N[C@@H]1CCNC1=O ZINC001423048891 1010840441 /nfs/dbraw/zinc/84/04/41/1010840441.db2.gz JXJWERBFSGAUTO-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CNC[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001444126229 1010869902 /nfs/dbraw/zinc/86/99/02/1010869902.db2.gz DRHBLQMQYHMESL-DYVFJYSZSA-N 1 3 324.469 0.339 20 0 DCADHO CCNC(=O)CNC[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001444126229 1010869909 /nfs/dbraw/zinc/86/99/09/1010869909.db2.gz DRHBLQMQYHMESL-DYVFJYSZSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001423356804 1011099933 /nfs/dbraw/zinc/09/99/33/1011099933.db2.gz VNGHIIPZXGJDLI-JKIFEVAISA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444633392 1011106966 /nfs/dbraw/zinc/10/69/66/1011106966.db2.gz OMYJCFNBXOGGND-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444737885 1011153252 /nfs/dbraw/zinc/15/32/52/1011153252.db2.gz YAAQEJOICPSZEN-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444737885 1011153254 /nfs/dbraw/zinc/15/32/54/1011153254.db2.gz YAAQEJOICPSZEN-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001444788168 1011172691 /nfs/dbraw/zinc/17/26/91/1011172691.db2.gz MHZKBGCNSWZYAY-UKRRQHHQSA-N 1 3 322.457 0.482 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)C1=O ZINC001423485252 1011179974 /nfs/dbraw/zinc/17/99/74/1011179974.db2.gz XXVNBSMTTDNNQX-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001423526119 1011214379 /nfs/dbraw/zinc/21/43/79/1011214379.db2.gz CKHWOZDSEUJLMZ-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001423561293 1011269139 /nfs/dbraw/zinc/26/91/39/1011269139.db2.gz KYNAQCLQCYSPTA-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001423561293 1011269144 /nfs/dbraw/zinc/26/91/44/1011269144.db2.gz KYNAQCLQCYSPTA-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001456623362 1011370112 /nfs/dbraw/zinc/37/01/12/1011370112.db2.gz ACHUOBSAGJBZCW-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(C)C ZINC001445379965 1011708208 /nfs/dbraw/zinc/70/82/08/1011708208.db2.gz MFTXLWBXEOJBJS-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(C)C ZINC001445379965 1011708218 /nfs/dbraw/zinc/70/82/18/1011708218.db2.gz MFTXLWBXEOJBJS-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)CN(C)C1CCC1 ZINC001445387651 1011716476 /nfs/dbraw/zinc/71/64/76/1011716476.db2.gz GKCOXJYTLFMOSX-CYBMUJFWSA-N 1 3 320.437 0.464 20 0 DCADHO CCN1CC[C@H](NC[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001445402180 1011732236 /nfs/dbraw/zinc/73/22/36/1011732236.db2.gz JLAGKPIDJNNHSP-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)C1 ZINC001445429337 1011759124 /nfs/dbraw/zinc/75/91/24/1011759124.db2.gz MZKOZRLQADJZNE-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC(=O)N(C)C)C1 ZINC001445429337 1011759135 /nfs/dbraw/zinc/75/91/35/1011759135.db2.gz MZKOZRLQADJZNE-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001445433992 1011766076 /nfs/dbraw/zinc/76/60/76/1011766076.db2.gz KKOLNZLTXBFJCJ-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC001553437188 1011975841 /nfs/dbraw/zinc/97/58/41/1011975841.db2.gz CXEXKGDVBXPGIQ-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC001553443165 1011976876 /nfs/dbraw/zinc/97/68/76/1011976876.db2.gz GGAQQARUDBCJLN-KLHDSHLOSA-N 1 3 322.453 0.633 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)N[C@H]3CCN(C4CC4)C3)C[C@H]2[NH3+])c1 ZINC001553444729 1011983194 /nfs/dbraw/zinc/98/31/94/1011983194.db2.gz AGRWQUPBYTZZHT-IACUBPJLSA-N 1 3 318.425 0.093 20 0 DCADHO [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCCCC1 ZINC001553491013 1012024917 /nfs/dbraw/zinc/02/49/17/1012024917.db2.gz JPDYIQGTZWJPOC-CABCVRRESA-N 1 3 324.469 0.889 20 0 DCADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553494952 1012028154 /nfs/dbraw/zinc/02/81/54/1012028154.db2.gz URQXFLAMENDWGX-RRFJBIMHSA-N 1 3 310.442 0.369 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C1CCCC1 ZINC001553510814 1012054039 /nfs/dbraw/zinc/05/40/39/1012054039.db2.gz YWYSNOYMDFFNGE-ARFHVFGLSA-N 1 3 324.469 0.745 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001424137760 1012067557 /nfs/dbraw/zinc/06/75/57/1012067557.db2.gz IWPJYCRUYPMNAA-RRFJBIMHSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCN(C)C1=O ZINC001424141140 1012074766 /nfs/dbraw/zinc/07/47/66/1012074766.db2.gz WQDDLPONVOYFTF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCN(C)C1=O ZINC001424141140 1012074785 /nfs/dbraw/zinc/07/47/85/1012074785.db2.gz WQDDLPONVOYFTF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001424198433 1012159806 /nfs/dbraw/zinc/15/98/06/1012159806.db2.gz ROMCHZNENLYWBC-UHFFFAOYSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C1CC[NH+](C)CC1 ZINC001445798764 1012275103 /nfs/dbraw/zinc/27/51/03/1012275103.db2.gz OJZGVFGLFWXEAT-CYBMUJFWSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001445851497 1012354784 /nfs/dbraw/zinc/35/47/84/1012354784.db2.gz WWGQNQUNCZYZDH-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC(N)=O)CCC1 ZINC001445895756 1012404109 /nfs/dbraw/zinc/40/41/09/1012404109.db2.gz WNIMJEBZEIJDOS-QWHCGFSZSA-N 1 3 310.442 0.221 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001445983395 1012481477 /nfs/dbraw/zinc/48/14/77/1012481477.db2.gz CYDUDNLBXVJXRY-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001445983395 1012481485 /nfs/dbraw/zinc/48/14/85/1012481485.db2.gz CYDUDNLBXVJXRY-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001432441416 1012491484 /nfs/dbraw/zinc/49/14/84/1012491484.db2.gz OTGLIUPFBPELLU-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001432441416 1012491490 /nfs/dbraw/zinc/49/14/90/1012491490.db2.gz OTGLIUPFBPELLU-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)[C@@H](C)C1 ZINC001424476832 1012552241 /nfs/dbraw/zinc/55/22/41/1012552241.db2.gz DGOOCDWUKOXFOH-ZFWWWQNUSA-N 1 3 307.442 0.697 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001459541206 1012769480 /nfs/dbraw/zinc/76/94/80/1012769480.db2.gz AEMXXTOZHXUKCG-INIZCTEOSA-N 1 3 321.425 0.259 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001446510900 1012827395 /nfs/dbraw/zinc/82/73/95/1012827395.db2.gz UECKFNOJOKZRLK-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001446510900 1012827414 /nfs/dbraw/zinc/82/74/14/1012827414.db2.gz UECKFNOJOKZRLK-ILXRZTDVSA-N 1 3 322.453 0.282 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC001446732235 1012924994 /nfs/dbraw/zinc/92/49/94/1012924994.db2.gz TWDODEHGAVMKOR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC001446732235 1012925005 /nfs/dbraw/zinc/92/50/05/1012925005.db2.gz TWDODEHGAVMKOR-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCC3CC3)C2)CCC1 ZINC001446760220 1012962041 /nfs/dbraw/zinc/96/20/41/1012962041.db2.gz OXVUYUWTQVIXIO-MRXNPFEDSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CCC3CC3)C2)CCC1 ZINC001446760220 1012962048 /nfs/dbraw/zinc/96/20/48/1012962048.db2.gz OXVUYUWTQVIXIO-MRXNPFEDSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001521642903 1017399665 /nfs/dbraw/zinc/39/96/65/1017399665.db2.gz DYALTBAVTHUWAR-ZDUSSCGKSA-N 1 3 305.426 0.272 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001509858056 1017452524 /nfs/dbraw/zinc/45/25/24/1017452524.db2.gz UQPKXKDJQIIZJC-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001509858056 1017452533 /nfs/dbraw/zinc/45/25/33/1017452533.db2.gz UQPKXKDJQIIZJC-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cncn2C)C1 ZINC001479408446 1017542442 /nfs/dbraw/zinc/54/24/42/1017542442.db2.gz JOFMINXFSAITJW-HDJSIYSDSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001506899674 1017652705 /nfs/dbraw/zinc/65/27/05/1017652705.db2.gz YYDXMAWHPAFRCO-KBUPBQIOSA-N 1 3 324.469 0.608 20 0 DCADHO C[C@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001497207036 1017968183 /nfs/dbraw/zinc/96/81/83/1017968183.db2.gz XFYYUEKWUTWWKW-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001499945586 1018148471 /nfs/dbraw/zinc/14/84/71/1018148471.db2.gz YFVRDKBOXNWDMY-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO Cn1nncc1CN[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001480044289 1018157219 /nfs/dbraw/zinc/15/72/19/1018157219.db2.gz SJQYGCQVJLDJQL-CQSZACIVSA-N 1 3 320.441 0.141 20 0 DCADHO CN(C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCN(C)C1=O ZINC001480084233 1018193752 /nfs/dbraw/zinc/19/37/52/1018193752.db2.gz JUTZEDVDNWBEFW-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cccn1 ZINC001495059791 1018273898 /nfs/dbraw/zinc/27/38/98/1018273898.db2.gz WHZDQPBBWIYCBW-HUUCEWRRSA-N 1 3 307.442 0.709 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001480352231 1018458517 /nfs/dbraw/zinc/45/85/17/1018458517.db2.gz UMRKDPALTXPPKW-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001480352231 1018458522 /nfs/dbraw/zinc/45/85/22/1018458522.db2.gz UMRKDPALTXPPKW-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(C)CCN([C@H]3CCNC3=O)CC2)C1 ZINC001500463389 1018460615 /nfs/dbraw/zinc/46/06/15/1018460615.db2.gz ZBAQPMWRUFJFPT-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2(C)CCN([C@H]3CCNC3=O)CC2)C1 ZINC001500463389 1018460621 /nfs/dbraw/zinc/46/06/21/1018460621.db2.gz ZBAQPMWRUFJFPT-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO CCc1nc([C@H](C)NC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001497895543 1018503858 /nfs/dbraw/zinc/50/38/58/1018503858.db2.gz TYLCSGMFQUSIDK-NEPJUHHUSA-N 1 3 322.457 0.864 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497961655 1018542706 /nfs/dbraw/zinc/54/27/06/1018542706.db2.gz BVWYZAUPSXQZIO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495534819 1018563848 /nfs/dbraw/zinc/56/38/48/1018563848.db2.gz GALDWWFMCUHDLE-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001495534819 1018563860 /nfs/dbraw/zinc/56/38/60/1018563860.db2.gz GALDWWFMCUHDLE-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498042792 1018606895 /nfs/dbraw/zinc/60/68/95/1018606895.db2.gz ASMJKTBPEYXBJE-WFASDCNBSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001498117893 1018666371 /nfs/dbraw/zinc/66/63/71/1018666371.db2.gz JPHGCKCIHFJRCO-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC(C)(C)C ZINC001480574826 1018673923 /nfs/dbraw/zinc/67/39/23/1018673923.db2.gz OCPHWAWNJVGVAJ-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498160445 1018701641 /nfs/dbraw/zinc/70/16/41/1018701641.db2.gz PQDLVDPNGXVCHZ-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001498160445 1018701650 /nfs/dbraw/zinc/70/16/50/1018701650.db2.gz PQDLVDPNGXVCHZ-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC001480677902 1018767817 /nfs/dbraw/zinc/76/78/17/1018767817.db2.gz UIFHKGPWNCTYTK-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCn1cc(CN[C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001501071290 1018859885 /nfs/dbraw/zinc/85/98/85/1018859885.db2.gz LYZYWPMRBHHSFI-UONOGXRCSA-N 1 3 322.457 0.576 20 0 DCADHO CCn1cc(CN[C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001501071289 1018864325 /nfs/dbraw/zinc/86/43/25/1018864325.db2.gz LYZYWPMRBHHSFI-KGLIPLIRSA-N 1 3 322.457 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001498326032 1018953694 /nfs/dbraw/zinc/95/36/94/1018953694.db2.gz XTUYOHHLDCQNST-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001496028009 1018983922 /nfs/dbraw/zinc/98/39/22/1018983922.db2.gz KWTCFYCETYMJLN-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496103967 1019073294 /nfs/dbraw/zinc/07/32/94/1019073294.db2.gz PVWVNNXXAMRDAF-UONOGXRCSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496146012 1019112852 /nfs/dbraw/zinc/11/28/52/1019112852.db2.gz SAOWQMNDQDEILG-MJBXVCDLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496146012 1019112863 /nfs/dbraw/zinc/11/28/63/1019112863.db2.gz SAOWQMNDQDEILG-MJBXVCDLSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C1CC1 ZINC001498526759 1019193877 /nfs/dbraw/zinc/19/38/77/1019193877.db2.gz YVGUFCNALHCRQQ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498637031 1019289482 /nfs/dbraw/zinc/28/94/82/1019289482.db2.gz MNPOJTPUQHGUQK-CQSZACIVSA-N 1 3 322.457 0.578 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498637031 1019289488 /nfs/dbraw/zinc/28/94/88/1019289488.db2.gz MNPOJTPUQHGUQK-CQSZACIVSA-N 1 3 322.457 0.578 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001496404239 1019292852 /nfs/dbraw/zinc/29/28/52/1019292852.db2.gz NHQLLORFBMHXEM-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H](C)C(N)=O ZINC001496587514 1019434480 /nfs/dbraw/zinc/43/44/80/1019434480.db2.gz ZVFOQNMMNHGJLN-QWHCGFSZSA-N 1 3 312.458 0.465 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001493570889 1019531421 /nfs/dbraw/zinc/53/14/21/1019531421.db2.gz RJGQVOGDCXZKJU-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001493570889 1019531433 /nfs/dbraw/zinc/53/14/33/1019531433.db2.gz RJGQVOGDCXZKJU-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494045343 1019947911 /nfs/dbraw/zinc/94/79/11/1019947911.db2.gz ZOYZJQAAHBKDQU-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494052849 1019949936 /nfs/dbraw/zinc/94/99/36/1019949936.db2.gz OENZRWDRJONADY-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494052849 1019949942 /nfs/dbraw/zinc/94/99/42/1019949942.db2.gz OENZRWDRJONADY-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494225326 1020085529 /nfs/dbraw/zinc/08/55/29/1020085529.db2.gz IUWKHMNFQNKQLR-APIJFGDWSA-N 1 3 324.469 0.430 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494225326 1020085540 /nfs/dbraw/zinc/08/55/40/1020085540.db2.gz IUWKHMNFQNKQLR-APIJFGDWSA-N 1 3 324.469 0.430 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000332642688 529986455 /nfs/dbraw/zinc/98/64/55/529986455.db2.gz RYDPHRIBDYBAQL-ILXRZTDVSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272736802 210140777 /nfs/dbraw/zinc/14/07/77/210140777.db2.gz KBYXNSAPWZQWAK-CZUORRHYSA-N 1 3 305.422 0.997 20 0 DCADHO C[C@H](CC(N)=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272736802 210140780 /nfs/dbraw/zinc/14/07/80/210140780.db2.gz KBYXNSAPWZQWAK-CZUORRHYSA-N 1 3 305.422 0.997 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000342764248 291048594 /nfs/dbraw/zinc/04/85/94/291048594.db2.gz GUFCYJDAGHEANJ-KGLIPLIRSA-N 1 3 311.426 0.744 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236975690 202102913 /nfs/dbraw/zinc/10/29/13/202102913.db2.gz AJAHFJZQQNYFHN-HUUCEWRRSA-N 1 3 308.470 0.518 20 0 DCADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000237955114 283418285 /nfs/dbraw/zinc/41/82/85/283418285.db2.gz NTXSVPMDAJJVMK-HNNXBMFYSA-N 1 3 317.437 0.401 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000566066694 291266347 /nfs/dbraw/zinc/26/63/47/291266347.db2.gz GFYYCOTTYDENSQ-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000566067062 291266470 /nfs/dbraw/zinc/26/64/70/291266470.db2.gz DGWBOBRITJMTKW-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO Cc1nn(C)c(N2CCOCC2)c1CNCC1=CC[N@H+](C)CC1 ZINC000271872627 209285426 /nfs/dbraw/zinc/28/54/26/209285426.db2.gz KTZHAASZYAKCSA-UHFFFAOYSA-N 1 3 319.453 0.917 20 0 DCADHO Cc1nn(C)c(N2CCOCC2)c1CNCC1=CC[N@@H+](C)CC1 ZINC000271872627 209285427 /nfs/dbraw/zinc/28/54/27/209285427.db2.gz KTZHAASZYAKCSA-UHFFFAOYSA-N 1 3 319.453 0.917 20 0 DCADHO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000566289842 291291151 /nfs/dbraw/zinc/29/11/51/291291151.db2.gz HKVJEDJBQALRAT-IYBDPMFKSA-N 1 3 317.433 0.997 20 0 DCADHO CN(C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C1CC[NH2+]CC1 ZINC000419780363 239964358 /nfs/dbraw/zinc/96/43/58/239964358.db2.gz QUSJNOWHHCRMCN-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420028730 240010573 /nfs/dbraw/zinc/01/05/73/240010573.db2.gz DKFACKIXHHBRBU-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423577331 240216694 /nfs/dbraw/zinc/21/66/94/240216694.db2.gz HIKFGOOSFDOPDN-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000567804430 291378851 /nfs/dbraw/zinc/37/88/51/291378851.db2.gz GWYRZYIOCJSXQU-BFYDXBDKSA-N 1 3 309.454 0.585 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000567867381 291385839 /nfs/dbraw/zinc/38/58/39/291385839.db2.gz NVZHQHZODZGDFF-NWDGAFQWSA-N 1 3 306.410 0.929 20 0 DCADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567897278 291388778 /nfs/dbraw/zinc/38/87/78/291388778.db2.gz SLVJRFSHQSQDLV-YGRLFVJLSA-N 1 3 307.402 0.060 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)C(=O)NCCN(C)C)CC1 ZINC000569986822 291507259 /nfs/dbraw/zinc/50/72/59/291507259.db2.gz IHEHGFJDBUXYLY-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000573564433 291640620 /nfs/dbraw/zinc/64/06/20/291640620.db2.gz ILCCXBPQABIAFG-KGLIPLIRSA-N 1 3 319.471 0.096 20 0 DCADHO C[C@@H](NCCN1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000574138955 291675788 /nfs/dbraw/zinc/67/57/88/291675788.db2.gz JSBWWDFUMKELOZ-HZPDHXFCSA-N 1 3 318.469 0.576 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000377805225 285009940 /nfs/dbraw/zinc/00/99/40/285009940.db2.gz RGWQHTBRXYLJRF-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000377805225 285009941 /nfs/dbraw/zinc/00/99/41/285009941.db2.gz RGWQHTBRXYLJRF-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000339588563 253109721 /nfs/dbraw/zinc/10/97/21/253109721.db2.gz XNYGZKLRBCVRSH-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339637068 253119329 /nfs/dbraw/zinc/11/93/29/253119329.db2.gz UIUBDYVOKZHXNT-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339647825 253121515 /nfs/dbraw/zinc/12/15/15/253121515.db2.gz YQOMXUFMLXLPLQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000340252141 253224606 /nfs/dbraw/zinc/22/46/06/253224606.db2.gz GKBSOTPRFFHUQM-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000340252141 253224607 /nfs/dbraw/zinc/22/46/07/253224607.db2.gz GKBSOTPRFFHUQM-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340487620 253265168 /nfs/dbraw/zinc/26/51/68/253265168.db2.gz VGPACJPNNVLGDE-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340487620 253265169 /nfs/dbraw/zinc/26/51/69/253265169.db2.gz VGPACJPNNVLGDE-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000341202176 253356377 /nfs/dbraw/zinc/35/63/77/253356377.db2.gz ORVJYJSARPEKOS-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)CCCC(=O)N[C@@H](C)C[NH+](C)C ZINC000346154524 254015931 /nfs/dbraw/zinc/01/59/31/254015931.db2.gz IQWMDGNIDWIHKC-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO Cc1n[nH]cc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346644698 254077213 /nfs/dbraw/zinc/07/72/13/254077213.db2.gz DSRHYDVPUTURRK-DZGCQCFKSA-N 1 3 305.426 0.798 20 0 DCADHO Cc1cccc2ncc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)n21 ZINC000347091574 254128452 /nfs/dbraw/zinc/12/84/52/254128452.db2.gz GAJDEBSKHJIIQF-AWEZNQCLSA-N 1 3 315.421 0.930 20 0 DCADHO CC[NH+]1CCC(n2nccc2NC(=O)CCOC2CNC2)CC1 ZINC000349002954 254269037 /nfs/dbraw/zinc/26/90/37/254269037.db2.gz PVRNNGJWAPPMSF-UHFFFAOYSA-N 1 3 321.425 0.857 20 0 DCADHO C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000351533855 254344396 /nfs/dbraw/zinc/34/43/96/254344396.db2.gz JEQTWNLUPAGKGE-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000351608498 254352191 /nfs/dbraw/zinc/35/21/91/254352191.db2.gz NEOAUQRMQKBOME-KBPBESRZSA-N 1 3 303.472 0.861 20 0 DCADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000351608498 254352192 /nfs/dbraw/zinc/35/21/92/254352192.db2.gz NEOAUQRMQKBOME-KBPBESRZSA-N 1 3 303.472 0.861 20 0 DCADHO CCN1CCN([C@H]2CCN(C[C@H](O)C[N@H+](C)C3CC3)C2)CC1 ZINC000336866193 285337328 /nfs/dbraw/zinc/33/73/28/285337328.db2.gz ODVTWFBTJCCGFH-DLBZAZTESA-N 1 3 310.486 0.153 20 0 DCADHO CCN1CCN([C@H]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)C2)CC1 ZINC000336866193 285337329 /nfs/dbraw/zinc/33/73/29/285337329.db2.gz ODVTWFBTJCCGFH-DLBZAZTESA-N 1 3 310.486 0.153 20 0 DCADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(S(N)(=O)=O)c1 ZINC000219308427 395845688 /nfs/dbraw/zinc/84/56/88/395845688.db2.gz IXAYTURQJVEZKU-LBPRGKRZSA-N 1 3 315.439 0.563 20 0 DCADHO C[NH+](C)C1(CNC(=O)C[C@H]2CSCCN2)CCOCC1 ZINC000237081013 395902105 /nfs/dbraw/zinc/90/21/05/395902105.db2.gz YKFOLWJKAFYLHH-LBPRGKRZSA-N 1 3 301.456 0.309 20 0 DCADHO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CCN(C)CC1 ZINC000237389479 395912111 /nfs/dbraw/zinc/91/21/11/395912111.db2.gz DBUBBXOGJMVMFZ-MGNMYUMUSA-N 1 3 322.497 0.907 20 0 DCADHO CN(C[C@@H]1CCOC1)CC1(C[N@H+](C)C[C@@H]2CCOC2)COC1 ZINC000119456662 395871559 /nfs/dbraw/zinc/87/15/59/395871559.db2.gz VHSUNQUQMNIKEF-HOTGVXAUSA-N 1 3 312.454 0.940 20 0 DCADHO CN(C[C@@H]1CCOC1)CC1(C[N@@H+](C)C[C@@H]2CCOC2)COC1 ZINC000119456662 395871561 /nfs/dbraw/zinc/87/15/61/395871561.db2.gz VHSUNQUQMNIKEF-HOTGVXAUSA-N 1 3 312.454 0.940 20 0 DCADHO CN(C)C[C@@](C)(O)CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000119925959 395879112 /nfs/dbraw/zinc/87/91/12/395879112.db2.gz GWKRGKKNKQNTKX-INIZCTEOSA-N 1 3 314.474 0.907 20 0 DCADHO CN(C)C1(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)Cc2ccccc2C1 ZINC000261782642 396065058 /nfs/dbraw/zinc/06/50/58/396065058.db2.gz NAQFVHBENRZTBZ-CVEARBPZSA-N 1 3 317.433 0.708 20 0 DCADHO C[NH2+]CCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000262384945 396133324 /nfs/dbraw/zinc/13/33/24/396133324.db2.gz NKAVLTFDMRKOGL-UHFFFAOYSA-N 1 3 309.410 0.861 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000262510188 396149322 /nfs/dbraw/zinc/14/93/22/396149322.db2.gz LZQQZMVVGQUNKD-DZUCGIPZSA-N 1 3 317.433 0.879 20 0 DCADHO CCN1CCN(CCNC(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000178874266 396212985 /nfs/dbraw/zinc/21/29/85/396212985.db2.gz XSQRVTVWDNHYKL-OAHLLOKOSA-N 1 3 310.486 0.766 20 0 DCADHO CN(C)CCOc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)ccn1 ZINC000183118559 396262667 /nfs/dbraw/zinc/26/26/67/396262667.db2.gz RNWHUZCVJZSPOJ-CYBMUJFWSA-N 1 3 306.410 0.704 20 0 DCADHO CN(C)CCOc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)ccn1 ZINC000183118559 396262671 /nfs/dbraw/zinc/26/26/71/396262671.db2.gz RNWHUZCVJZSPOJ-CYBMUJFWSA-N 1 3 306.410 0.704 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000080061117 396274327 /nfs/dbraw/zinc/27/43/27/396274327.db2.gz ZKNVATSUPMUQRJ-ZDUSSCGKSA-N 1 3 307.442 0.466 20 0 DCADHO CN(C(=O)/C=C/C[NH+](C)C)C1CCN(CCn2cccn2)CC1 ZINC000265678374 396336171 /nfs/dbraw/zinc/33/61/71/396336171.db2.gz IVHQQGDLLXGLIG-GQCTYLIASA-N 1 3 319.453 0.924 20 0 DCADHO C[C@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH+]1CCC(C)CC1 ZINC000188745873 396385934 /nfs/dbraw/zinc/38/59/34/396385934.db2.gz IZSFCTGWZDPBSI-GFCCVEGCSA-N 1 3 305.426 0.906 20 0 DCADHO [NH3+]C[C@@H](C(=O)NCCCN1CCC(O)CC1)c1ccccc1 ZINC000269228279 396396725 /nfs/dbraw/zinc/39/67/25/396396725.db2.gz GJYIDBIWOZJKMY-MRXNPFEDSA-N 1 3 305.422 0.692 20 0 DCADHO Cc1nccn1CCNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000291222677 396481257 /nfs/dbraw/zinc/48/12/57/396481257.db2.gz KCNYEDWIESSKEN-UHFFFAOYSA-N 1 3 324.473 0.716 20 0 DCADHO Cc1nccn1CCNC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000291222677 396481258 /nfs/dbraw/zinc/48/12/58/396481258.db2.gz KCNYEDWIESSKEN-UHFFFAOYSA-N 1 3 324.473 0.716 20 0 DCADHO Cc1nccn1CCNC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000291222677 396481259 /nfs/dbraw/zinc/48/12/59/396481259.db2.gz KCNYEDWIESSKEN-UHFFFAOYSA-N 1 3 324.473 0.716 20 0 DCADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000580997277 396517021 /nfs/dbraw/zinc/51/70/21/396517021.db2.gz ZGZPPHDETIKXHJ-CQSZACIVSA-N 1 3 300.447 0.546 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CCN(C2CC2)C1 ZINC000581121428 396527158 /nfs/dbraw/zinc/52/71/58/396527158.db2.gz SOYBZIRCOZCVKI-ZFWWWQNUSA-N 1 3 309.458 0.016 20 0 DCADHO COCC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCC1 ZINC000581500675 396561033 /nfs/dbraw/zinc/56/10/33/396561033.db2.gz JTBPUQOJDLMNKK-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373428573 396590663 /nfs/dbraw/zinc/59/06/63/396590663.db2.gz YREBLSFSZRCKJC-BBRMVZONSA-N 1 3 301.394 0.429 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)N(C)C1 ZINC000561218624 396634590 /nfs/dbraw/zinc/63/45/90/396634590.db2.gz HVLNOXXSQDARRJ-AJNGGQMLSA-N 1 3 312.458 0.864 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000588699147 396688757 /nfs/dbraw/zinc/68/87/57/396688757.db2.gz FBYXKIJFBWBNGC-ZIAGYGMSSA-N 1 3 308.426 0.021 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000588699147 396688759 /nfs/dbraw/zinc/68/87/59/396688759.db2.gz FBYXKIJFBWBNGC-ZIAGYGMSSA-N 1 3 308.426 0.021 20 0 DCADHO COc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000629555867 396784642 /nfs/dbraw/zinc/78/46/42/396784642.db2.gz AJIAUDGQEQEEFD-OAHLLOKOSA-N 1 3 321.421 0.471 20 0 DCADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)c1ccccc1F ZINC000629558013 396786767 /nfs/dbraw/zinc/78/67/67/396786767.db2.gz NWJQFZKQBOIZFP-ZDUSSCGKSA-N 1 3 309.385 0.602 20 0 DCADHO CN1CCC[C@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000316904424 396797132 /nfs/dbraw/zinc/79/71/32/396797132.db2.gz SPEQABQMVCZDRW-GFCCVEGCSA-N 1 3 306.414 0.274 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000563626574 396764192 /nfs/dbraw/zinc/76/41/92/396764192.db2.gz RMFXUMWUQNQWSR-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000564270091 396821395 /nfs/dbraw/zinc/82/13/95/396821395.db2.gz WFMMRQSJENHFBR-INIZCTEOSA-N 1 3 312.458 0.474 20 0 DCADHO CN(CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCC1 ZINC000629961423 396896921 /nfs/dbraw/zinc/89/69/21/396896921.db2.gz LXDCDOVKIXLKQU-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CN(CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCC1 ZINC000629961423 396896927 /nfs/dbraw/zinc/89/69/27/396896927.db2.gz LXDCDOVKIXLKQU-MRXNPFEDSA-N 1 3 308.470 0.709 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634765286 396911848 /nfs/dbraw/zinc/91/18/48/396911848.db2.gz OMCQLGQIJAXKMF-CQSZACIVSA-N 1 3 307.442 0.953 20 0 DCADHO CN(CCOCC[NH3+])CCC(=O)NC(=O)NCc1ccccc1 ZINC000600734612 396934125 /nfs/dbraw/zinc/93/41/25/396934125.db2.gz HZZPIVWMIWVEHO-UHFFFAOYSA-N 1 3 322.409 0.310 20 0 DCADHO C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000333939765 396935470 /nfs/dbraw/zinc/93/54/70/396935470.db2.gz NLOYPIYDCWXFPZ-UONOGXRCSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[N@H+]1CCC[C@H](C)C1 ZINC000333939765 396935476 /nfs/dbraw/zinc/93/54/76/396935476.db2.gz NLOYPIYDCWXFPZ-UONOGXRCSA-N 1 3 310.442 0.491 20 0 DCADHO CCS(=O)(=O)N(C)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067643 396954683 /nfs/dbraw/zinc/95/46/83/396954683.db2.gz BRRTURZKPUCTCV-KGLIPLIRSA-N 1 3 303.472 0.874 20 0 DCADHO CCS(=O)(=O)N(C)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067643 396954688 /nfs/dbraw/zinc/95/46/88/396954688.db2.gz BRRTURZKPUCTCV-KGLIPLIRSA-N 1 3 303.472 0.874 20 0 DCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618307934 396955308 /nfs/dbraw/zinc/95/53/08/396955308.db2.gz ZQOBQECTAWQAFD-CYBMUJFWSA-N 1 3 314.474 0.632 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+](CC)CC ZINC000339578294 396959944 /nfs/dbraw/zinc/95/99/44/396959944.db2.gz AGUZLXBWAXDMBL-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600981089 396980809 /nfs/dbraw/zinc/98/08/09/396980809.db2.gz SFIRSQIZCBUHAG-GJZGRUSLSA-N 1 3 322.453 0.411 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600981089 396980814 /nfs/dbraw/zinc/98/08/14/396980814.db2.gz SFIRSQIZCBUHAG-GJZGRUSLSA-N 1 3 322.453 0.411 20 0 DCADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC1CNC1 ZINC000572137893 397027085 /nfs/dbraw/zinc/02/70/85/397027085.db2.gz NFWQEFPCTFRUCE-UHFFFAOYSA-N 1 3 318.421 0.185 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)Nc1ccc2c(c1)CNCCO2 ZINC000625897189 397029589 /nfs/dbraw/zinc/02/95/89/397029589.db2.gz RJGINJPFTFVZSR-CQSZACIVSA-N 1 3 320.393 0.357 20 0 DCADHO O=C(NCCN1CC[C@@H](O)C1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000625897189 397029593 /nfs/dbraw/zinc/02/95/93/397029593.db2.gz RJGINJPFTFVZSR-CQSZACIVSA-N 1 3 320.393 0.357 20 0 DCADHO C[C@H](CN1CCOCC1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000341119568 396976822 /nfs/dbraw/zinc/97/68/22/396976822.db2.gz HCSBEDXGXZHKIM-KURKYZTESA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H](NC(=O)CC[NH2+]C1CC1)C(=O)NCCN1CCCCC1 ZINC000573137304 397138019 /nfs/dbraw/zinc/13/80/19/397138019.db2.gz JTFDRYJSFWLLKB-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO Cn1cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(=O)n(C)c1=O ZINC000377889564 397159447 /nfs/dbraw/zinc/15/94/47/397159447.db2.gz PNBCSRIIBIQNIP-CQSZACIVSA-N 1 3 320.437 0.248 20 0 DCADHO Cn1cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(=O)n(C)c1=O ZINC000377889564 397159453 /nfs/dbraw/zinc/15/94/53/397159453.db2.gz PNBCSRIIBIQNIP-CQSZACIVSA-N 1 3 320.437 0.248 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377931698 397165825 /nfs/dbraw/zinc/16/58/25/397165825.db2.gz KWLOOYMCYUUKQH-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377931698 397165828 /nfs/dbraw/zinc/16/58/28/397165828.db2.gz KWLOOYMCYUUKQH-LSDHHAIUSA-N 1 3 312.458 0.881 20 0 DCADHO COC(=O)CCNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492134 397191699 /nfs/dbraw/zinc/19/16/99/397191699.db2.gz QXKPURFNROBAPT-KGLIPLIRSA-N 1 3 311.426 0.377 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000601970071 397277414 /nfs/dbraw/zinc/27/74/14/397277414.db2.gz XAMLEOVVRPYAKE-DZGCQCFKSA-N 1 3 318.421 0.929 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCCC(=O)NC(N)=O ZINC000601970071 397277421 /nfs/dbraw/zinc/27/74/21/397277421.db2.gz XAMLEOVVRPYAKE-DZGCQCFKSA-N 1 3 318.421 0.929 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCCC(=O)NC(N)=O ZINC000601970071 397277429 /nfs/dbraw/zinc/27/74/29/397277429.db2.gz XAMLEOVVRPYAKE-DZGCQCFKSA-N 1 3 318.421 0.929 20 0 DCADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCC[C@H](C)[NH3+])CC1 ZINC000598733783 397286088 /nfs/dbraw/zinc/28/60/88/397286088.db2.gz DZFPRHNRHYUXOG-QWHCGFSZSA-N 1 3 313.442 0.894 20 0 DCADHO C[C@H](C(=O)OC(C)(C)C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574738054 397295204 /nfs/dbraw/zinc/29/52/04/397295204.db2.gz BMKIEJJIIZBLBT-ZDUSSCGKSA-N 1 3 315.458 0.916 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000390387547 397300277 /nfs/dbraw/zinc/30/02/77/397300277.db2.gz OTKPQVBSWAWOPW-UHFFFAOYSA-N 1 3 318.381 0.430 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)CC1 ZINC000602330650 397373650 /nfs/dbraw/zinc/37/36/50/397373650.db2.gz PIITZJDHHKBYCQ-HOCLYGCPSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)CC1 ZINC000602330650 397373654 /nfs/dbraw/zinc/37/36/54/397373654.db2.gz PIITZJDHHKBYCQ-HOCLYGCPSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCCC[C@H]1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602330650 397373658 /nfs/dbraw/zinc/37/36/58/397373658.db2.gz PIITZJDHHKBYCQ-HOCLYGCPSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419784608 397383633 /nfs/dbraw/zinc/38/36/33/397383633.db2.gz WZKMURRBZHIUDX-JXQTWKCFSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419783349 397383720 /nfs/dbraw/zinc/38/37/20/397383720.db2.gz VLYGSRMCZDAFLI-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593739118 397436299 /nfs/dbraw/zinc/43/62/99/397436299.db2.gz WVKZUIMWZFXHLU-WUHRBBMRSA-N 1 3 312.414 0.049 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000578458352 397439687 /nfs/dbraw/zinc/43/96/87/397439687.db2.gz UDYKLJRXRDHOLR-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621652870 397409927 /nfs/dbraw/zinc/40/99/27/397409927.db2.gz IYEDCVYEQOODRA-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000578744259 397476484 /nfs/dbraw/zinc/47/64/84/397476484.db2.gz YEBYMPCLBSUNBU-HUUCEWRRSA-N 1 3 313.490 0.509 20 0 DCADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000579003675 397514164 /nfs/dbraw/zinc/51/41/64/397514164.db2.gz LXOWATLCIGGESW-BZUAXINKSA-N 1 3 311.470 0.830 20 0 DCADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000578983252 397508523 /nfs/dbraw/zinc/50/85/23/397508523.db2.gz SYFYVWCHRXFLLH-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C1 ZINC000371249602 397563716 /nfs/dbraw/zinc/56/37/16/397563716.db2.gz LTQAIBJGEWXGFE-CVEARBPZSA-N 1 3 320.481 0.615 20 0 DCADHO C[NH+](C)C/C=C/C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000371292296 397569301 /nfs/dbraw/zinc/56/93/01/397569301.db2.gz OPFVYNOJZMXLLV-RUZMYDRRSA-N 1 3 317.433 0.856 20 0 DCADHO COC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCOC1 ZINC001647412593 1172869890 /nfs/dbraw/zinc/86/98/90/1172869890.db2.gz NRJSSCAIVOZIHV-KKUMJFAQSA-N 1 3 313.442 0.215 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246184830 292335857 /nfs/dbraw/zinc/33/58/57/292335857.db2.gz MADFVLNJUUYXQZ-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000246184830 292335858 /nfs/dbraw/zinc/33/58/58/292335858.db2.gz MADFVLNJUUYXQZ-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N2CCCN(C)CC2)CC1 ZINC000339380552 292348454 /nfs/dbraw/zinc/34/84/54/292348454.db2.gz PGJSVZSPGWKTDR-UHFFFAOYSA-N 1 3 312.458 0.834 20 0 DCADHO COCCCN1CCC(NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422596895 292349421 /nfs/dbraw/zinc/34/94/21/292349421.db2.gz INGMSESWKNEQLM-UHFFFAOYSA-N 1 3 300.447 0.914 20 0 DCADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000051759055 158014994 /nfs/dbraw/zinc/01/49/94/158014994.db2.gz UJZTVYVMKQTQCG-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3CO)CC2)CC1 ZINC000118573490 158177130 /nfs/dbraw/zinc/17/71/30/158177130.db2.gz NUDZEBHMOTVGSR-MRXNPFEDSA-N 1 3 324.469 0.711 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000317145472 159004561 /nfs/dbraw/zinc/00/45/61/159004561.db2.gz WBUJNJMHOGXYIO-HNNXBMFYSA-N 1 3 312.458 0.467 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C1CC1 ZINC000359291111 159263082 /nfs/dbraw/zinc/26/30/82/159263082.db2.gz QPIGOUUDSZEFCR-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000372423154 159623396 /nfs/dbraw/zinc/62/33/96/159623396.db2.gz VWVCUCVHTKYFBV-CVEARBPZSA-N 1 3 310.486 0.908 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418635505 287251871 /nfs/dbraw/zinc/25/18/71/287251871.db2.gz KURCBCIJNNHXDU-DOTOQJQBSA-N 1 3 320.437 0.485 20 0 DCADHO C[NH2+]CCOCCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000625883586 412330008 /nfs/dbraw/zinc/33/00/08/412330008.db2.gz IDNPCJAXNHZELG-UHFFFAOYSA-N 1 3 324.429 0.507 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC([NH3+])CC2)C1 ZINC000419047874 287263816 /nfs/dbraw/zinc/26/38/16/287263816.db2.gz UEOBZALUHPTODM-CYBMUJFWSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419149728 287269470 /nfs/dbraw/zinc/26/94/70/287269470.db2.gz LGWICNOALIVRJQ-OCCSQVGLSA-N 1 3 312.458 0.467 20 0 DCADHO CN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419179390 287271158 /nfs/dbraw/zinc/27/11/58/287271158.db2.gz IMWLYBCLAHMPNM-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO CN(CCN)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419179390 287271162 /nfs/dbraw/zinc/27/11/62/287271162.db2.gz IMWLYBCLAHMPNM-CQSZACIVSA-N 1 3 310.442 0.317 20 0 DCADHO Cc1cc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)n2ncnc2n1 ZINC000420319402 287290419 /nfs/dbraw/zinc/29/04/19/287290419.db2.gz PHEULZSTHKKHSL-CQSZACIVSA-N 1 3 315.425 0.554 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000420346483 287293342 /nfs/dbraw/zinc/29/33/42/287293342.db2.gz YKCLLALUPDSGBU-FZKCQIBNSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000331573732 415137436 /nfs/dbraw/zinc/13/74/36/415137436.db2.gz VNLOTKCVTUWPND-RDBSUJKOSA-N 1 3 310.442 0.090 20 0 DCADHO CCOC[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342335324 415139808 /nfs/dbraw/zinc/13/98/08/415139808.db2.gz USVJIYYCSMWJAO-HNNXBMFYSA-N 1 3 300.443 0.961 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000332016517 415209788 /nfs/dbraw/zinc/20/97/88/415209788.db2.gz QAFSEGCJSRBSTK-QLFBSQMISA-N 1 3 312.458 0.866 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000332087114 415234870 /nfs/dbraw/zinc/23/48/70/415234870.db2.gz HULUVOJZSWGZEG-TUVASFSCSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000332088831 415236765 /nfs/dbraw/zinc/23/67/65/415236765.db2.gz KQKSJVMPKDNHBA-QPSCCSFWSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1=CC[N@H+](C)CC1 ZINC000332113354 415249541 /nfs/dbraw/zinc/24/95/41/415249541.db2.gz WPIVGHCSANHEIO-ZFWWWQNUSA-N 1 3 320.437 0.060 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000332113354 415249545 /nfs/dbraw/zinc/24/95/45/415249545.db2.gz WPIVGHCSANHEIO-ZFWWWQNUSA-N 1 3 320.437 0.060 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000342697583 415257601 /nfs/dbraw/zinc/25/76/01/415257601.db2.gz SBFHPMHCMFPTLW-UONOGXRCSA-N 1 3 311.426 0.457 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000342697583 415257607 /nfs/dbraw/zinc/25/76/07/415257607.db2.gz SBFHPMHCMFPTLW-UONOGXRCSA-N 1 3 311.426 0.457 20 0 DCADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000424462374 287306586 /nfs/dbraw/zinc/30/65/86/287306586.db2.gz FPDDXIGPDZQNIA-GFCCVEGCSA-N 1 3 306.410 0.706 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343152540 415473002 /nfs/dbraw/zinc/47/30/02/415473002.db2.gz OUQWRSQOIRLTTK-OWCLPIDISA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000343152540 415473005 /nfs/dbraw/zinc/47/30/05/415473005.db2.gz OUQWRSQOIRLTTK-OWCLPIDISA-N 1 3 308.470 0.613 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000343245989 415517145 /nfs/dbraw/zinc/51/71/45/415517145.db2.gz CPRWTWNROROXMM-KZNAEPCWSA-N 1 3 324.513 0.761 20 0 DCADHO NC(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(F)(F)F ZINC000353442709 415547616 /nfs/dbraw/zinc/54/76/16/415547616.db2.gz GJKRIJFZQNRFAG-GXSJLCMTSA-N 1 3 309.332 0.493 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333139120 415565970 /nfs/dbraw/zinc/56/59/70/415565970.db2.gz CTNBIQKAKJZZNV-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343342191 415567586 /nfs/dbraw/zinc/56/75/86/415567586.db2.gz VASDGUWXGNQTES-HOTGVXAUSA-N 1 3 308.470 0.613 20 0 DCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353654548 415617426 /nfs/dbraw/zinc/61/74/26/415617426.db2.gz ZYTHOVMMTCJEGJ-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000333393025 415634865 /nfs/dbraw/zinc/63/48/65/415634865.db2.gz PAJUGVOQEVNAPU-OCCSQVGLSA-N 1 3 300.472 0.723 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CCC(C[NH3+])CC2)CCSC1 ZINC000333392272 415635274 /nfs/dbraw/zinc/63/52/74/415635274.db2.gz OXVMKVYDLOITDY-AWEZNQCLSA-N 1 3 300.472 0.804 20 0 DCADHO CC(=O)N1CCN(C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000333236340 415590159 /nfs/dbraw/zinc/59/01/59/415590159.db2.gz ADSGVSNKUWCXLK-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)C[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353581371 415594383 /nfs/dbraw/zinc/59/43/83/415594383.db2.gz WZRJCZSVMCVRMF-HZPDHXFCSA-N 1 3 310.486 0.988 20 0 DCADHO CC(C)C[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000353581371 415594386 /nfs/dbraw/zinc/59/43/86/415594386.db2.gz WZRJCZSVMCVRMF-HZPDHXFCSA-N 1 3 310.486 0.988 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCC3(C)CC[NH2+]CC3)C[C@H]2N)cn1 ZINC000333460365 415656459 /nfs/dbraw/zinc/65/64/59/415656459.db2.gz GKDPBFSSIZNBPB-UONOGXRCSA-N 1 3 320.441 0.246 20 0 DCADHO COc1ccc(CNCCN2CC[NH2+]CC2)c(OC)c1OC ZINC000106957942 415658084 /nfs/dbraw/zinc/65/80/84/415658084.db2.gz PRQYDTLIWMEODG-UHFFFAOYSA-N 1 3 309.410 0.707 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343634720 415661615 /nfs/dbraw/zinc/66/16/15/415661615.db2.gz GZOCVKOQDSTNAD-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343634720 415661623 /nfs/dbraw/zinc/66/16/23/415661623.db2.gz GZOCVKOQDSTNAD-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC2CCN(C)CC2)CC1 ZINC000109164657 415681699 /nfs/dbraw/zinc/68/16/99/415681699.db2.gz YXZBFWIYMVTTBF-OAHLLOKOSA-N 1 3 312.458 0.473 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)CCC[NH+]2CCCC2)CC1=O ZINC000343784796 415729316 /nfs/dbraw/zinc/72/93/16/415729316.db2.gz VQWJJYFGTDOEJM-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000333635036 415701421 /nfs/dbraw/zinc/70/14/21/415701421.db2.gz HGHQLYXDHRGHOL-OAHLLOKOSA-N 1 3 310.442 0.635 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000333635036 415701424 /nfs/dbraw/zinc/70/14/24/415701424.db2.gz HGHQLYXDHRGHOL-OAHLLOKOSA-N 1 3 310.442 0.635 20 0 DCADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343761563 415713754 /nfs/dbraw/zinc/71/37/54/415713754.db2.gz AYFHHYAYQZLYFP-DKUMPPAJSA-N 1 3 319.449 0.934 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000333826764 415746420 /nfs/dbraw/zinc/74/64/20/415746420.db2.gz LSTKWHSMQYWSRZ-YCPHGPKFSA-N 1 3 324.469 0.879 20 0 DCADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H](CN)OC ZINC000289944462 415737533 /nfs/dbraw/zinc/73/75/33/415737533.db2.gz LRMWZNVUFCHBFQ-INIZCTEOSA-N 1 3 323.437 0.997 20 0 DCADHO C[C@H]1CCC[C@@](CNC(=O)N2CCOC3(CNC3)C2)([NH+](C)C)C1 ZINC000333858236 415752094 /nfs/dbraw/zinc/75/20/94/415752094.db2.gz YTJCDXURLPZNQD-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000343988987 415809056 /nfs/dbraw/zinc/80/90/56/415809056.db2.gz PCOMKSWGOMELHY-AWEZNQCLSA-N 1 3 307.394 0.645 20 0 DCADHO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(N2CCNCC2)cn1 ZINC000296294456 415918609 /nfs/dbraw/zinc/91/86/09/415918609.db2.gz FSJDAXUDRWDUSX-CYBMUJFWSA-N 1 3 303.410 0.962 20 0 DCADHO Cc1ncccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130571663 415921461 /nfs/dbraw/zinc/92/14/61/415921461.db2.gz DPMTVOPDGSGFRB-UHFFFAOYSA-N 1 3 321.425 0.280 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCOC[C@H]2C)CC[C@H]1N1CCN(C)CC1 ZINC000337180356 415921854 /nfs/dbraw/zinc/92/18/54/415921854.db2.gz LSXQRFARHZDTBJ-KZNAEPCWSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCOC[C@H]2C)CC[C@H]1N1CCN(C)CC1 ZINC000337180356 415921857 /nfs/dbraw/zinc/92/18/57/415921857.db2.gz LSXQRFARHZDTBJ-KZNAEPCWSA-N 1 3 324.513 0.665 20 0 DCADHO C[C@@H]1CN(CCN2CCOC[C@H]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000337180356 415921863 /nfs/dbraw/zinc/92/18/63/415921863.db2.gz LSXQRFARHZDTBJ-KZNAEPCWSA-N 1 3 324.513 0.665 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000344176894 415860126 /nfs/dbraw/zinc/86/01/26/415860126.db2.gz JDBQUUNZYHBWND-CVEARBPZSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000344176894 415860130 /nfs/dbraw/zinc/86/01/30/415860130.db2.gz JDBQUUNZYHBWND-CVEARBPZSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)CCN1C ZINC000344639525 415964537 /nfs/dbraw/zinc/96/45/37/415964537.db2.gz PQEJUKAWBMKAJP-GDBMZVCRSA-N 1 3 318.469 0.801 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337542008 415975327 /nfs/dbraw/zinc/97/53/27/415975327.db2.gz LKRHWZAOYJOXHU-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337542008 415975332 /nfs/dbraw/zinc/97/53/32/415975332.db2.gz LKRHWZAOYJOXHU-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345098556 416043719 /nfs/dbraw/zinc/04/37/19/416043719.db2.gz NWIHTBIZVLOEOH-HZPDHXFCSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CCN(CCC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000356991662 416017473 /nfs/dbraw/zinc/01/74/73/416017473.db2.gz UJBYMHYELYHKON-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC(C)C[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338023492 416034704 /nfs/dbraw/zinc/03/47/04/416034704.db2.gz IBJOAHXCOONXJU-MNOVXSKESA-N 1 3 310.364 0.312 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171681986 416040710 /nfs/dbraw/zinc/04/07/10/416040710.db2.gz JWNAZFPWQKCGSZ-HNNXBMFYSA-N 1 3 312.458 0.834 20 0 DCADHO OC[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000304804846 416103521 /nfs/dbraw/zinc/10/35/21/416103521.db2.gz QUNNLXYVNSRMDD-HZPDHXFCSA-N 1 3 300.443 0.412 20 0 DCADHO OC[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000304804846 416103522 /nfs/dbraw/zinc/10/35/22/416103522.db2.gz QUNNLXYVNSRMDD-HZPDHXFCSA-N 1 3 300.443 0.412 20 0 DCADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357703826 416118991 /nfs/dbraw/zinc/11/89/91/416118991.db2.gz DBEJSDFEJDBPFL-LSDHHAIUSA-N 1 3 323.462 0.978 20 0 DCADHO O=C(NCCCN1CCC(O)CC1)C1CC[NH+](C2CC2)CC1 ZINC000338839361 416146880 /nfs/dbraw/zinc/14/68/80/416146880.db2.gz BSIWTBLBTZJSBI-UHFFFAOYSA-N 1 3 309.454 0.824 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339961750 416169284 /nfs/dbraw/zinc/16/92/84/416169284.db2.gz JEOPFZYTCWEZED-UHFFFAOYSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346114009 416188305 /nfs/dbraw/zinc/18/83/05/416188305.db2.gz FVGCNMVXRDTCBB-ZIAGYGMSSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)[N@H+](C)C1CC1 ZINC000342072876 416279787 /nfs/dbraw/zinc/27/97/87/416279787.db2.gz BZQWWRWIPWTSCJ-LBPRGKRZSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)[N@@H+](C)C1CC1 ZINC000342072876 416279791 /nfs/dbraw/zinc/27/97/91/416279791.db2.gz BZQWWRWIPWTSCJ-LBPRGKRZSA-N 1 3 310.442 0.138 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000261988291 416336076 /nfs/dbraw/zinc/33/60/76/416336076.db2.gz SPJADPHCIGYWBP-ARFHVFGLSA-N 1 3 303.406 0.663 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415411628 416341707 /nfs/dbraw/zinc/34/17/07/416341707.db2.gz BGYFUXGJGNMBGG-LBPRGKRZSA-N 1 3 306.410 0.801 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415660981 416350406 /nfs/dbraw/zinc/35/04/06/416350406.db2.gz UCVAMVDBBXBVON-GFCCVEGCSA-N 1 3 306.410 0.801 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000237861254 416328855 /nfs/dbraw/zinc/32/88/55/416328855.db2.gz OUOBTXJZMVQBLZ-HUUCEWRRSA-N 1 3 322.453 0.271 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000360095991 416370056 /nfs/dbraw/zinc/37/00/56/416370056.db2.gz CFTOVMPYCKPQRU-UHFFFAOYSA-N 1 3 307.442 1.504 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000416886565 416378554 /nfs/dbraw/zinc/37/85/54/416378554.db2.gz MVKAFNRYOOHONW-GJZGRUSLSA-N 1 3 306.410 0.222 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418442295 416386909 /nfs/dbraw/zinc/38/69/09/416386909.db2.gz JRAJLSNBQIKVII-UONOGXRCSA-N 1 3 300.447 0.650 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000360431052 416389715 /nfs/dbraw/zinc/38/97/15/416389715.db2.gz POXPUFFIVKOLMK-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000418990123 416396004 /nfs/dbraw/zinc/39/60/04/416396004.db2.gz CLRMTWFLCQIBQB-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000419288735 416399016 /nfs/dbraw/zinc/39/90/16/416399016.db2.gz SFGRUYBLTZUXEL-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[NH2+]1 ZINC000419754562 416408865 /nfs/dbraw/zinc/40/88/65/416408865.db2.gz ANNHIYMQUNQQFR-MCIONIFRSA-N 1 3 324.469 0.480 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423221030 416478268 /nfs/dbraw/zinc/47/82/68/416478268.db2.gz ZCHKDTJYAAOXHN-CQSZACIVSA-N 1 3 310.442 0.128 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000458248285 416448789 /nfs/dbraw/zinc/44/87/89/416448789.db2.gz YJHLFUPOEZGEEA-CQSZACIVSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000458248285 416448792 /nfs/dbraw/zinc/44/87/92/416448792.db2.gz YJHLFUPOEZGEEA-CQSZACIVSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000458248284 416448998 /nfs/dbraw/zinc/44/89/98/416448998.db2.gz YJHLFUPOEZGEEA-AWEZNQCLSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000458248284 416449003 /nfs/dbraw/zinc/44/90/03/416449003.db2.gz YJHLFUPOEZGEEA-AWEZNQCLSA-N 1 3 300.447 0.689 20 0 DCADHO CC1CCN(CC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423615988 416528973 /nfs/dbraw/zinc/52/89/73/416528973.db2.gz RONDBTKGTDNNKO-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO COCCN(CCN(C)C)C(=O)COC1CCC([NH3+])CC1 ZINC000423741134 416554719 /nfs/dbraw/zinc/55/47/19/416554719.db2.gz JVPOALAWMZALDE-UHFFFAOYSA-N 1 3 301.431 0.310 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423359909 416495954 /nfs/dbraw/zinc/49/59/54/416495954.db2.gz LBXALFANZZZHRB-STQMWFEESA-N 1 3 308.430 0.477 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423371055 416499125 /nfs/dbraw/zinc/49/91/25/416499125.db2.gz HHSRPCSEPOPXMW-CYBMUJFWSA-N 1 3 308.430 0.621 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000423769918 416563091 /nfs/dbraw/zinc/56/30/91/416563091.db2.gz CQPVLKCNYLYION-DTZQCDIJSA-N 1 3 303.406 0.346 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000423765381 416563143 /nfs/dbraw/zinc/56/31/43/416563143.db2.gz WXGJKENUJQRKPZ-CABCVRRESA-N 1 3 309.385 0.657 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000423768130 416564636 /nfs/dbraw/zinc/56/46/36/416564636.db2.gz ZYPLXQKYBJAUEI-LSDHHAIUSA-N 1 3 310.486 0.988 20 0 DCADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000423768130 416564639 /nfs/dbraw/zinc/56/46/39/416564639.db2.gz ZYPLXQKYBJAUEI-LSDHHAIUSA-N 1 3 310.486 0.988 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1c1ccccc1F ZINC000424023705 416606059 /nfs/dbraw/zinc/60/60/59/416606059.db2.gz BNUVJMJQQFFYHL-IVMMDQJWSA-N 1 3 321.396 0.847 20 0 DCADHO CCOCCCN1CC[C@@H]([NH2+]CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000439076456 416606419 /nfs/dbraw/zinc/60/64/19/416606419.db2.gz JQVCVMNTEOIFNA-UONOGXRCSA-N 1 3 321.487 0.262 20 0 DCADHO CCN1CCC(N(C)C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424129102 416613775 /nfs/dbraw/zinc/61/37/75/416613775.db2.gz GAQRKXXDYNPWAQ-AWEZNQCLSA-N 1 3 320.441 0.759 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424143543 416615758 /nfs/dbraw/zinc/61/57/58/416615758.db2.gz KAZQLYZLKNMEOO-KGLIPLIRSA-N 1 3 320.441 0.759 20 0 DCADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2C[C@H]2[NH3+])C1 ZINC000424143822 416616304 /nfs/dbraw/zinc/61/63/04/416616304.db2.gz GJDQHQDNMOTMBJ-HZSPNIEDSA-N 1 3 316.405 0.670 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3C[C@@H]3[NH3+])ccc2oc1=O ZINC000424152081 416618786 /nfs/dbraw/zinc/61/87/86/416618786.db2.gz ICSSJEFRVXZJIN-MNOVXSKESA-N 1 3 304.350 0.442 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CCN(C)CC2)c1 ZINC000424443276 416644324 /nfs/dbraw/zinc/64/43/24/416644324.db2.gz WXBSGEGALKGDNM-UHFFFAOYSA-N 1 3 304.394 0.603 20 0 DCADHO CC[C@@]1(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000368366825 416661345 /nfs/dbraw/zinc/66/13/45/416661345.db2.gz IOPJHZWXJVFKIQ-PBHICJAKSA-N 1 3 308.470 0.803 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000425687964 416721734 /nfs/dbraw/zinc/72/17/34/416721734.db2.gz WFCVEZIJEIHVKD-RRFJBIMHSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425687964 416721737 /nfs/dbraw/zinc/72/17/37/416721737.db2.gz WFCVEZIJEIHVKD-RRFJBIMHSA-N 1 3 310.442 0.443 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000557137218 416725942 /nfs/dbraw/zinc/72/59/42/416725942.db2.gz CDWHNAFTMFADKP-HZPDHXFCSA-N 1 3 318.421 0.630 20 0 DCADHO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443064322 416729485 /nfs/dbraw/zinc/72/94/85/416729485.db2.gz XXSKDNUWWDQQFM-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC1(C)CCCN(CCNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000557206436 416729916 /nfs/dbraw/zinc/72/99/16/416729916.db2.gz SZBGFRXGMAZQGJ-UHFFFAOYSA-N 1 3 311.474 0.313 20 0 DCADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@H](CC[NH3+])C1 ZINC000443059851 416729954 /nfs/dbraw/zinc/72/99/54/416729954.db2.gz NMWGXIHTSHAOLC-VHSXEESVSA-N 1 3 324.347 0.824 20 0 DCADHO CN(CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000369396160 416768199 /nfs/dbraw/zinc/76/81/99/416768199.db2.gz UXLUXDBWJIHPRS-MRXNPFEDSA-N 1 3 323.485 0.502 20 0 DCADHO CN(CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000369396160 416768208 /nfs/dbraw/zinc/76/82/08/416768208.db2.gz UXLUXDBWJIHPRS-MRXNPFEDSA-N 1 3 323.485 0.502 20 0 DCADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCN1CCCCC1 ZINC000631909807 416794952 /nfs/dbraw/zinc/79/49/52/416794952.db2.gz PITPVFYVHJFUOQ-UHFFFAOYSA-N 1 3 318.487 0.381 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444173136 416813278 /nfs/dbraw/zinc/81/32/78/416813278.db2.gz TVHAFGPUQCQBCC-ZQIUZPCESA-N 1 3 322.453 0.045 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CC[NH2+]3)ccc2oc1=O ZINC000444175253 416814860 /nfs/dbraw/zinc/81/48/60/416814860.db2.gz JRENZKGSJHIRKU-LLVKDONJSA-N 1 3 304.350 0.457 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000517719813 416817734 /nfs/dbraw/zinc/81/77/34/416817734.db2.gz XVTWWMAXOBYYGI-LSDHHAIUSA-N 1 3 311.474 0.311 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623664265 416862919 /nfs/dbraw/zinc/86/29/19/416862919.db2.gz ZGESLDPUVQTAFB-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO COCCCN(C)CCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623664265 416862925 /nfs/dbraw/zinc/86/29/25/416862925.db2.gz ZGESLDPUVQTAFB-OAHLLOKOSA-N 1 3 314.474 0.986 20 0 DCADHO O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)NC1CCN(C2CC2)CC1 ZINC000428041846 416869408 /nfs/dbraw/zinc/86/94/08/416869408.db2.gz SGQMACXGEWBHOF-XJKSGUPXSA-N 1 3 306.454 0.413 20 0 DCADHO CCOC[C@@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000518759992 416872246 /nfs/dbraw/zinc/87/22/46/416872246.db2.gz HNLJLOQNZPUNAV-IRXDYDNUSA-N 1 3 308.422 0.740 20 0 DCADHO C[NH+](C)CC1CN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000615510361 416849732 /nfs/dbraw/zinc/84/97/32/416849732.db2.gz HCHLCFGHRTXGAK-GOSISDBHSA-N 1 3 317.433 0.643 20 0 DCADHO Cc1nc(C)n(C[C@@H]2CN(C[C@H]3CC[NH2+][C@H](C)C3)CCO2)n1 ZINC000519349671 416900592 /nfs/dbraw/zinc/90/05/92/416900592.db2.gz RORNQBVPWOXPQY-KCXAZCMYSA-N 1 3 307.442 0.984 20 0 DCADHO O=C1CC[C@H]2CN(CCN3CC[NH2+]CC3)CC[C@H]2N1C1CC1 ZINC000564988298 416906088 /nfs/dbraw/zinc/90/60/88/416906088.db2.gz AVUSBAVOCLCZJQ-GOEBONIOSA-N 1 3 306.454 0.367 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)NC1CNC1)[N@H+](C)Cc1ccccc1 ZINC000519533374 416910511 /nfs/dbraw/zinc/91/05/11/416910511.db2.gz ZGOMVLQOLFJWDW-ZDUSSCGKSA-N 1 3 318.421 0.101 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)NC1CNC1)[N@@H+](C)Cc1ccccc1 ZINC000519533374 416910517 /nfs/dbraw/zinc/91/05/17/416910517.db2.gz ZGOMVLQOLFJWDW-ZDUSSCGKSA-N 1 3 318.421 0.101 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000519592514 416919430 /nfs/dbraw/zinc/91/94/30/416919430.db2.gz JLHWZPNCYALNFX-LXTVHRRPSA-N 1 3 322.453 0.173 20 0 DCADHO CCN1CCN(CC(C)(C)NC[C@H](O)C[N@H+](C)CC)CC1 ZINC000565171001 416932810 /nfs/dbraw/zinc/93/28/10/416932810.db2.gz GXXCGJPJVZSGFP-HNNXBMFYSA-N 1 3 300.491 0.305 20 0 DCADHO CCN1CCN(CC(C)(C)NC[C@H](O)C[N@@H+](C)CC)CC1 ZINC000565171001 416932814 /nfs/dbraw/zinc/93/28/14/416932814.db2.gz GXXCGJPJVZSGFP-HNNXBMFYSA-N 1 3 300.491 0.305 20 0 DCADHO CCN(C)C[C@@H](O)C[NH2+]C(C)(C)CN1CCN(CC)CC1 ZINC000565171001 416932820 /nfs/dbraw/zinc/93/28/20/416932820.db2.gz GXXCGJPJVZSGFP-HNNXBMFYSA-N 1 3 300.491 0.305 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC000446603432 416936193 /nfs/dbraw/zinc/93/61/93/416936193.db2.gz DYJJMWUZOCSAKA-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC000446603432 416936199 /nfs/dbraw/zinc/93/61/99/416936199.db2.gz DYJJMWUZOCSAKA-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1C[C@H](Nc2nc(N)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000624025065 416940660 /nfs/dbraw/zinc/94/06/60/416940660.db2.gz KQTXCHSFOVGICU-WCQYABFASA-N 1 3 313.409 0.584 20 0 DCADHO C[C@H]1C[C@H](Nc2nc(N)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000624025065 416940664 /nfs/dbraw/zinc/94/06/64/416940664.db2.gz KQTXCHSFOVGICU-WCQYABFASA-N 1 3 313.409 0.584 20 0 DCADHO CN1CCC2(CCCN2S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632170572 416941384 /nfs/dbraw/zinc/94/13/84/416941384.db2.gz YZTOHQUMEYGXQT-UHFFFAOYSA-N 1 3 303.472 0.828 20 0 DCADHO COC[C@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCC[NH2+]1 ZINC000641841986 417015046 /nfs/dbraw/zinc/01/50/46/417015046.db2.gz LHVYCLDEHANERP-IJEWVQPXSA-N 1 3 310.442 0.633 20 0 DCADHO C(CN1CCC(OC[C@@H]2CCCCO2)CC1)N1CC[NH2+]CC1 ZINC000565480669 416983010 /nfs/dbraw/zinc/98/30/10/416983010.db2.gz GYXURKGMMHVOKO-KRWDZBQOSA-N 1 3 311.470 0.942 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000521006881 416986035 /nfs/dbraw/zinc/98/60/35/416986035.db2.gz BZCWGVJXFGIIOY-KBPBESRZSA-N 1 3 312.458 0.737 20 0 DCADHO CCN1CCC[C@@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000565528780 416988305 /nfs/dbraw/zinc/98/83/05/416988305.db2.gz AUPHWPXOTHKWBE-HUUCEWRRSA-N 1 3 309.458 0.160 20 0 DCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000430573330 417042681 /nfs/dbraw/zinc/04/26/81/417042681.db2.gz HCDFSDSRXXVKSQ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642329798 417044073 /nfs/dbraw/zinc/04/40/73/417044073.db2.gz TVBPYFUHFIJHDI-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632366935 417047049 /nfs/dbraw/zinc/04/70/49/417047049.db2.gz CFUMHCCSQHOBJG-UONOGXRCSA-N 1 3 303.472 0.827 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000642439569 417052728 /nfs/dbraw/zinc/05/27/28/417052728.db2.gz MGEALXKSSQEYOB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642440169 417054991 /nfs/dbraw/zinc/05/49/91/417054991.db2.gz XSMSABYKYFDXNH-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000642439942 417055135 /nfs/dbraw/zinc/05/51/35/417055135.db2.gz SLCTVMPTSVYALG-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1Cc2cncn2C1 ZINC000637263164 417056667 /nfs/dbraw/zinc/05/66/67/417056667.db2.gz GBZDYXXOOHYPMP-KBPBESRZSA-N 1 3 322.457 0.379 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1Cc2cncn2C1 ZINC000637263164 417056674 /nfs/dbraw/zinc/05/66/74/417056674.db2.gz GBZDYXXOOHYPMP-KBPBESRZSA-N 1 3 322.457 0.379 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)COC2CNC2)[C@@H](C)C1 ZINC000430704343 417064411 /nfs/dbraw/zinc/06/44/11/417064411.db2.gz IAEUARSRSUFHJX-ZFWWWQNUSA-N 1 3 313.442 0.228 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)COC2CNC2)[C@@H](C)C1 ZINC000430704343 417064419 /nfs/dbraw/zinc/06/44/19/417064419.db2.gz IAEUARSRSUFHJX-ZFWWWQNUSA-N 1 3 313.442 0.228 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000642731663 417084679 /nfs/dbraw/zinc/08/46/79/417084679.db2.gz DHHSHMJUBRRUSY-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC[C@@H]1[NH3+] ZINC000642733413 417085128 /nfs/dbraw/zinc/08/51/28/417085128.db2.gz MITDUEJEEPWODH-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642733262 417085145 /nfs/dbraw/zinc/08/51/45/417085145.db2.gz AIXUNFSJQKKGSL-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO O=C(CN1CC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000381855791 417086486 /nfs/dbraw/zinc/08/64/86/417086486.db2.gz UWNGUBDMWGOMMJ-INIZCTEOSA-N 1 3 302.422 0.282 20 0 DCADHO Cc1c([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC000524903958 417121320 /nfs/dbraw/zinc/12/13/20/417121320.db2.gz LXJODKUIHDSBIL-CYBMUJFWSA-N 1 3 324.473 0.924 20 0 DCADHO Cc1c(C(=O)N2CCN3CCC[C@H]3C2)nnn1C1CC[NH2+]CC1 ZINC000430726273 287351133 /nfs/dbraw/zinc/35/11/33/287351133.db2.gz ZSSRWKYOSKTYHY-AWEZNQCLSA-N 1 3 318.425 0.431 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000642979353 417136582 /nfs/dbraw/zinc/13/65/82/417136582.db2.gz UBSQUQDUXDGLJK-OLZOCXBDSA-N 1 3 308.426 0.069 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCn2nccc21 ZINC000637766020 417176352 /nfs/dbraw/zinc/17/63/52/417176352.db2.gz LUNSMAZFRNIYEP-CQSZACIVSA-N 1 3 322.457 0.853 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000637806014 417190292 /nfs/dbraw/zinc/19/02/92/417190292.db2.gz SQIZITXFBZSODV-INIZCTEOSA-N 1 3 304.438 0.562 20 0 DCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(c2ncccn2)CC1 ZINC000643451107 417210223 /nfs/dbraw/zinc/21/02/23/417210223.db2.gz FMWOWKBCEYTGCK-HOTGVXAUSA-N 1 3 318.469 0.576 20 0 DCADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000643464930 417215187 /nfs/dbraw/zinc/21/51/87/417215187.db2.gz FKUHJULENZSIQA-OAGGEKHMSA-N 1 3 324.469 0.169 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[NH2+]1 ZINC000627211037 417281417 /nfs/dbraw/zinc/28/14/17/417281417.db2.gz ZTAYODRVSZDJFN-YRGRVCCFSA-N 1 3 321.429 0.224 20 0 DCADHO C[C@@H]1C[C@H](CN2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[NH2+]1 ZINC000414696605 417294407 /nfs/dbraw/zinc/29/44/07/417294407.db2.gz BAWVKCPMPSCMBD-BZUAXINKSA-N 1 3 308.470 0.613 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccsc1 ZINC000527373798 417237989 /nfs/dbraw/zinc/23/79/89/417237989.db2.gz FCEFDEPXYLNLIS-UHFFFAOYSA-N 1 3 312.439 0.638 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569335671 417240843 /nfs/dbraw/zinc/24/08/43/417240843.db2.gz DNFLGGTXWJESRM-HOCLYGCPSA-N 1 3 319.453 0.533 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC[C@H]1[NH3+] ZINC000643542907 417241810 /nfs/dbraw/zinc/24/18/10/417241810.db2.gz XWCQMOWLUNRLQY-ZIAGYGMSSA-N 1 3 312.458 0.371 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643558720 417245334 /nfs/dbraw/zinc/24/53/34/417245334.db2.gz UBLPXUIKUKTHOX-SOUVJXGZSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)C1 ZINC000643593071 417249249 /nfs/dbraw/zinc/24/92/49/417249249.db2.gz LOZADFCDLMSBTI-RBSFLKMASA-N 1 3 324.469 0.561 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638142530 417350956 /nfs/dbraw/zinc/35/09/56/417350956.db2.gz RRRALXHUHITVDK-IAGOWNOFSA-N 1 3 316.449 0.799 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000638145247 417354301 /nfs/dbraw/zinc/35/43/01/417354301.db2.gz KEDYIQBSITZKOG-KGLIPLIRSA-N 1 3 301.431 0.167 20 0 DCADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000638157748 417360684 /nfs/dbraw/zinc/36/06/84/417360684.db2.gz ZEVWHRTZWUKAQX-FFSVYQOJSA-N 1 3 304.394 0.603 20 0 DCADHO CN1CCN(CC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000627250653 417300410 /nfs/dbraw/zinc/30/04/10/417300410.db2.gz XSIPQALLXDHAHW-OAHLLOKOSA-N 1 3 309.458 0.017 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)N3CCCNCC3)cn2)CC1 ZINC000632961497 417302507 /nfs/dbraw/zinc/30/25/07/417302507.db2.gz RVHQORURKGEPFH-UHFFFAOYSA-N 1 3 306.414 0.977 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000638072267 417312086 /nfs/dbraw/zinc/31/20/86/417312086.db2.gz LSIWCHMUMIKFMH-HZPDHXFCSA-N 1 3 304.438 0.514 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000638072267 417312091 /nfs/dbraw/zinc/31/20/91/417312091.db2.gz LSIWCHMUMIKFMH-HZPDHXFCSA-N 1 3 304.438 0.514 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000414916300 417314803 /nfs/dbraw/zinc/31/48/03/417314803.db2.gz SARAVPITVOEYBZ-OAHLLOKOSA-N 1 3 318.421 0.897 20 0 DCADHO CN(C)C1(CNC(=O)CN2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000638121502 417341758 /nfs/dbraw/zinc/34/17/58/417341758.db2.gz JGEYNLFJATWEFQ-UHFFFAOYSA-N 1 3 316.449 0.107 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638125201 417343413 /nfs/dbraw/zinc/34/34/13/417343413.db2.gz DGQIRKMAAWSMCB-RDJZCZTQSA-N 1 3 318.465 0.904 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638125201 417343420 /nfs/dbraw/zinc/34/34/20/417343420.db2.gz DGQIRKMAAWSMCB-RDJZCZTQSA-N 1 3 318.465 0.904 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000638248024 417392641 /nfs/dbraw/zinc/39/26/41/417392641.db2.gz RPDPINDJAZOOBP-IKGGRYGDSA-N 1 3 316.449 0.656 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000638277576 417404257 /nfs/dbraw/zinc/40/42/57/417404257.db2.gz LKAREYBURJGALZ-MRXNPFEDSA-N 1 3 317.433 0.664 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)C2)CC1 ZINC000571083042 417422433 /nfs/dbraw/zinc/42/24/33/417422433.db2.gz ZGMUUUIANBQEAX-WBVHZDCISA-N 1 3 308.470 0.613 20 0 DCADHO C[C@@H]1C[C@H](C)N(C(=O)c2cnn(CCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000638356309 417433255 /nfs/dbraw/zinc/43/32/55/417433255.db2.gz GIDZLZCTIUGMMX-RDBSUJKOSA-N 1 3 307.442 0.890 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622027312 417370693 /nfs/dbraw/zinc/37/06/93/417370693.db2.gz AFMRWNPQVQCDIE-XJIUQZFPSA-N 1 3 322.453 0.125 20 0 DCADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[NH2+]C)c1 ZINC000415353567 417371435 /nfs/dbraw/zinc/37/14/35/417371435.db2.gz AGWJWBGIAYHLOV-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415358413 417372612 /nfs/dbraw/zinc/37/26/12/417372612.db2.gz UBTRSQBOCBDQAA-ZDUSSCGKSA-N 1 3 304.394 0.555 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc2c1CCNC2 ZINC000570681444 417379868 /nfs/dbraw/zinc/37/98/68/417379868.db2.gz WESVLAPADUSXOR-OAHLLOKOSA-N 1 3 316.405 0.529 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)CCOC2CNC2)CC[C@H]1C(F)(F)F ZINC000638556483 417487941 /nfs/dbraw/zinc/48/79/41/417487941.db2.gz LFJNGNAMVYSMBI-GXSJLCMTSA-N 1 3 309.332 0.351 20 0 DCADHO NCc1cccc2c1N(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)CCC2 ZINC000638545178 417485949 /nfs/dbraw/zinc/48/59/49/417485949.db2.gz QGDMWLDESOPMBD-CQSZACIVSA-N 1 3 316.405 0.293 20 0 DCADHO COCCCN(C)CC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638707758 417538855 /nfs/dbraw/zinc/53/88/55/417538855.db2.gz AWHUSVUJIJOTJP-UHFFFAOYSA-N 1 3 301.475 0.780 20 0 DCADHO Cn1nnc2cc(C[N@@H+]3CC[C@H](n4cc(CN)nn4)C3)ccc21 ZINC000635000638 417555714 /nfs/dbraw/zinc/55/57/14/417555714.db2.gz SBDKEQKCZGNMIY-ZDUSSCGKSA-N 1 3 312.381 0.466 20 0 DCADHO Cn1nnc2cc(C[N@H+]3CC[C@H](n4cc(CN)nn4)C3)ccc21 ZINC000635000638 417555717 /nfs/dbraw/zinc/55/57/17/417555717.db2.gz SBDKEQKCZGNMIY-ZDUSSCGKSA-N 1 3 312.381 0.466 20 0 DCADHO Cn1nnc2cc(C[N@@H+]3CC[C@@H](n4cc(CN)nn4)C3)ccc21 ZINC000635000637 417556001 /nfs/dbraw/zinc/55/60/01/417556001.db2.gz SBDKEQKCZGNMIY-CYBMUJFWSA-N 1 3 312.381 0.466 20 0 DCADHO Cn1nnc2cc(C[N@H+]3CC[C@@H](n4cc(CN)nn4)C3)ccc21 ZINC000635000637 417556007 /nfs/dbraw/zinc/55/60/07/417556007.db2.gz SBDKEQKCZGNMIY-CYBMUJFWSA-N 1 3 312.381 0.466 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000575043898 417504036 /nfs/dbraw/zinc/50/40/36/417504036.db2.gz YHOIDACIPWCURU-DLBZAZTESA-N 1 3 319.449 0.938 20 0 DCADHO CN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453675062 417527434 /nfs/dbraw/zinc/52/74/34/417527434.db2.gz OHVDNBUXHFVQTM-HNNXBMFYSA-N 1 3 318.421 0.852 20 0 DCADHO COCCN(C)CC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634703007 417528210 /nfs/dbraw/zinc/52/82/10/417528210.db2.gz OGZPYXCRXSPKKX-GOSISDBHSA-N 1 3 321.465 0.791 20 0 DCADHO COCCN(C)CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634703007 417528216 /nfs/dbraw/zinc/52/82/16/417528216.db2.gz OGZPYXCRXSPKKX-GOSISDBHSA-N 1 3 321.465 0.791 20 0 DCADHO COCCN(C)CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703007 417528222 /nfs/dbraw/zinc/52/82/22/417528222.db2.gz OGZPYXCRXSPKKX-GOSISDBHSA-N 1 3 321.465 0.791 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000576120345 417582629 /nfs/dbraw/zinc/58/26/29/417582629.db2.gz CNFZKUNVZRQOLR-YOEHRIQHSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000576120345 417582633 /nfs/dbraw/zinc/58/26/33/417582633.db2.gz CNFZKUNVZRQOLR-YOEHRIQHSA-N 1 3 309.454 0.824 20 0 DCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047649 417602917 /nfs/dbraw/zinc/60/29/17/417602917.db2.gz VKZJTXLAHXPLGW-FUHWJXTLSA-N 1 3 317.433 0.691 20 0 DCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047649 417602919 /nfs/dbraw/zinc/60/29/19/417602919.db2.gz VKZJTXLAHXPLGW-FUHWJXTLSA-N 1 3 317.433 0.691 20 0 DCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047650 417603597 /nfs/dbraw/zinc/60/35/97/417603597.db2.gz VKZJTXLAHXPLGW-SJLPKXTDSA-N 1 3 317.433 0.691 20 0 DCADHO C[N@H+]1CC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047650 417603602 /nfs/dbraw/zinc/60/36/02/417603602.db2.gz VKZJTXLAHXPLGW-SJLPKXTDSA-N 1 3 317.433 0.691 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000576898961 417645527 /nfs/dbraw/zinc/64/55/27/417645527.db2.gz UVTSVFBYIRKDFB-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000576898961 417645529 /nfs/dbraw/zinc/64/55/29/417645529.db2.gz UVTSVFBYIRKDFB-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CNS(=O)(=O)CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000639380655 417668730 /nfs/dbraw/zinc/66/87/30/417668730.db2.gz IACNTAZVKFQUCO-UHFFFAOYSA-N 1 3 312.439 0.579 20 0 DCADHO CCN1CCN(CCCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635562036 417704155 /nfs/dbraw/zinc/70/41/55/417704155.db2.gz UZMGFYXGGONVNS-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000645135575 417704436 /nfs/dbraw/zinc/70/44/36/417704436.db2.gz CHSFFHDWTSHDDY-BFHYXJOUSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580569060 417715177 /nfs/dbraw/zinc/71/51/77/417715177.db2.gz YPDIDQZYOYYFEQ-WFASDCNBSA-N 1 3 305.426 0.657 20 0 DCADHO C[NH+]1CCC2(CCN(CCN3CCCS3(=O)=O)C2)CC1 ZINC000639756644 417736621 /nfs/dbraw/zinc/73/66/21/417736621.db2.gz AAWAIYXXVNPBCJ-UHFFFAOYSA-N 1 3 301.456 0.440 20 0 DCADHO O=C(c1cc2c(s1)CCNC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662518146 417793174 /nfs/dbraw/zinc/79/31/74/417793174.db2.gz QZVIAISDVZYEBZ-CYBMUJFWSA-N 1 3 320.462 0.514 20 0 DCADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000662679739 417848229 /nfs/dbraw/zinc/84/82/29/417848229.db2.gz CEBOILOMPXDOKY-IAGOWNOFSA-N 1 3 317.433 0.915 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cn1 ZINC000636110081 417871761 /nfs/dbraw/zinc/87/17/61/417871761.db2.gz HOQGBXRDSLRLNX-UONOGXRCSA-N 1 3 307.442 0.903 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCOC2(CNC2)C1 ZINC000652291660 417878838 /nfs/dbraw/zinc/87/88/38/417878838.db2.gz BWMHSPVXPVHTKX-UHFFFAOYSA-N 1 3 304.394 0.290 20 0 DCADHO C[C@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC[NH2+]CC1 ZINC000662748596 417886642 /nfs/dbraw/zinc/88/66/42/417886642.db2.gz BWGBBKFHGRBNMJ-SNVBAGLBSA-N 1 3 307.398 0.283 20 0 DCADHO CCc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n(C)n1 ZINC000636161818 417888605 /nfs/dbraw/zinc/88/86/05/417888605.db2.gz RKUFZPOGJSJFEQ-ZDUSSCGKSA-N 1 3 309.458 0.984 20 0 DCADHO CCc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n(C)n1 ZINC000636161818 417888609 /nfs/dbraw/zinc/88/86/09/417888609.db2.gz RKUFZPOGJSJFEQ-ZDUSSCGKSA-N 1 3 309.458 0.984 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000646002837 417846299 /nfs/dbraw/zinc/84/62/99/417846299.db2.gz HAYRUWHRQMWBOK-XHSDSOJGSA-N 1 3 308.470 0.613 20 0 DCADHO [NH3+]CCCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013280 417977166 /nfs/dbraw/zinc/97/71/66/417977166.db2.gz BZTNNLPSHNYUKU-CYBMUJFWSA-N 1 3 320.441 0.264 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C3(N)CC4(CCC4)C3)C[C@H]2[NH3+])cn1 ZINC000662819198 417917120 /nfs/dbraw/zinc/91/71/20/417917120.db2.gz IBRPPBNWYCPMEI-QWHCGFSZSA-N 1 3 303.410 0.335 20 0 DCADHO C[NH2+]CCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663019241 417978685 /nfs/dbraw/zinc/97/86/85/417978685.db2.gz SQPPIJQZFMEIOT-ZDUSSCGKSA-N 1 3 320.441 0.135 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662846747 417923205 /nfs/dbraw/zinc/92/32/05/417923205.db2.gz UMVWJRFCIPAYPA-JSGCOSHPSA-N 1 3 312.458 0.323 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662846747 417923208 /nfs/dbraw/zinc/92/32/08/417923208.db2.gz UMVWJRFCIPAYPA-JSGCOSHPSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CCO1 ZINC000646843131 417928960 /nfs/dbraw/zinc/92/89/60/417928960.db2.gz HDFBJCBCZDMNCW-IPNGBCKKSA-N 1 3 311.426 0.094 20 0 DCADHO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000662860113 417929598 /nfs/dbraw/zinc/92/95/98/417929598.db2.gz QHVGEDQDYBGXKJ-JYJNAYRXSA-N 1 3 303.406 0.607 20 0 DCADHO C[C@H](Cn1cncn1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000658033640 417931078 /nfs/dbraw/zinc/93/10/78/417931078.db2.gz GQZXIJAMZBYLFN-OAHLLOKOSA-N 1 3 322.457 0.053 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@H](CC[NH3+])C(F)(F)F)cn1 ZINC000652611918 417931593 /nfs/dbraw/zinc/93/15/93/417931593.db2.gz AXGYQRVKGKWCHP-SNVBAGLBSA-N 1 3 322.335 0.846 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cn1 ZINC000652612267 417931619 /nfs/dbraw/zinc/93/16/19/417931619.db2.gz NRQALQBTGXZKPH-OCCSQVGLSA-N 1 3 306.414 0.660 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631771019 417936818 /nfs/dbraw/zinc/93/68/18/417936818.db2.gz QRHOTHWDHXYGQA-IUODEOHRSA-N 1 3 305.426 0.657 20 0 DCADHO C[NH+](C)[C@@H](CNC(=O)NCCN1CC[C@H](O)C1)c1ccccc1 ZINC000636456124 417950176 /nfs/dbraw/zinc/95/01/76/417950176.db2.gz RBRWPRPDTGBKAL-HOTGVXAUSA-N 1 3 320.437 0.655 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000662930441 417954970 /nfs/dbraw/zinc/95/49/70/417954970.db2.gz QMUHFVREKUZHQH-CYBMUJFWSA-N 1 3 310.442 0.269 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000662930604 417955565 /nfs/dbraw/zinc/95/55/65/417955565.db2.gz SBXMXXMWVYUIER-UHFFFAOYSA-N 1 3 324.469 0.659 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724839 417956519 /nfs/dbraw/zinc/95/65/19/417956519.db2.gz NYKVKUHROREJLB-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735788 417961582 /nfs/dbraw/zinc/96/15/82/417961582.db2.gz UBARMFSHQQSVBR-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)[C@H](CN)C1 ZINC000662984232 417972182 /nfs/dbraw/zinc/97/21/82/417972182.db2.gz IZYALHBACPMASZ-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)[C@H](C[NH3+])C1 ZINC000662982692 417972525 /nfs/dbraw/zinc/97/25/25/417972525.db2.gz WZDWBLKUGYENLH-CABCVRRESA-N 1 3 324.469 0.517 20 0 DCADHO CC(C(=O)NC[C@H]1CCCC[NH2+]1)S(=O)(=O)C1CCOCC1 ZINC000647577431 418026446 /nfs/dbraw/zinc/02/64/46/418026446.db2.gz FGWFKBWDRPDEJA-NWDGAFQWSA-N 1 3 318.439 0.227 20 0 DCADHO CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000658828990 418029279 /nfs/dbraw/zinc/02/92/79/418029279.db2.gz HIFBLWIIXHSMHQ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000647593430 418030699 /nfs/dbraw/zinc/03/06/99/418030699.db2.gz OZMFJUKVUHIVBY-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653150356 418037202 /nfs/dbraw/zinc/03/72/02/418037202.db2.gz ZVJANINQCUBPLZ-JKSUJKDBSA-N 1 3 308.470 0.613 20 0 DCADHO O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1CNCCC1(F)F ZINC000647644813 418037839 /nfs/dbraw/zinc/03/78/39/418037839.db2.gz AGMCZYIOBPSRNY-CYBMUJFWSA-N 1 3 312.364 0.922 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000641180935 417981762 /nfs/dbraw/zinc/98/17/62/417981762.db2.gz ILDQYVWYZBESGP-OAGGEKHMSA-N 1 3 323.485 0.678 20 0 DCADHO O=C(NCC[C@H]1CC[NH2+]C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659513994 418109752 /nfs/dbraw/zinc/10/97/52/418109752.db2.gz NSWCBMCWEGTYFP-UKRRQHHQSA-N 1 3 310.442 0.539 20 0 DCADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648158176 418110483 /nfs/dbraw/zinc/11/04/83/418110483.db2.gz BHTMKUKRRALMOG-ZSHCYNCHSA-N 1 3 300.406 0.880 20 0 DCADHO COCc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000664316063 418112847 /nfs/dbraw/zinc/11/28/47/418112847.db2.gz ZYYMLZFMADWUGR-NSHDSACASA-N 1 3 313.402 0.218 20 0 DCADHO COCc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000664316063 418112849 /nfs/dbraw/zinc/11/28/49/418112849.db2.gz ZYYMLZFMADWUGR-NSHDSACASA-N 1 3 313.402 0.218 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659542365 418115292 /nfs/dbraw/zinc/11/52/92/418115292.db2.gz LUXBEHRCTJRRMA-SNPRPXQTSA-N 1 3 310.442 0.679 20 0 DCADHO COCC1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]CC1 ZINC000659541250 418115569 /nfs/dbraw/zinc/11/55/69/418115569.db2.gz PHZZKKBGADKKQY-VXGBXAGGSA-N 1 3 302.394 0.083 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659552490 418117382 /nfs/dbraw/zinc/11/73/82/418117382.db2.gz DJRSRKDZEJSSIK-ZFWWWQNUSA-N 1 3 310.442 0.681 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659552490 418117385 /nfs/dbraw/zinc/11/73/85/418117385.db2.gz DJRSRKDZEJSSIK-ZFWWWQNUSA-N 1 3 310.442 0.681 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCCCC2)CC1 ZINC000653355307 418061890 /nfs/dbraw/zinc/06/18/90/418061890.db2.gz ORICUKADERAANV-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000653383540 418065991 /nfs/dbraw/zinc/06/59/91/418065991.db2.gz RZQMQEVBSHGILO-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N(C)C1CC1 ZINC000663998549 418074439 /nfs/dbraw/zinc/07/44/39/418074439.db2.gz MWNLOGGOHFGEKV-CJNGLKHVSA-N 1 3 324.469 0.710 20 0 DCADHO C[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N(C)C1CC1 ZINC000663998549 418074441 /nfs/dbraw/zinc/07/44/41/418074441.db2.gz MWNLOGGOHFGEKV-CJNGLKHVSA-N 1 3 324.469 0.710 20 0 DCADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000647977394 418081798 /nfs/dbraw/zinc/08/17/98/418081798.db2.gz AUUSFRYWZQJPNO-HRCADAONSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@@H]1O ZINC000664151992 418090885 /nfs/dbraw/zinc/09/08/85/418090885.db2.gz TVEWFDZSLDEBJJ-IHRRRGAJSA-N 1 3 314.474 0.669 20 0 DCADHO Cn1cncc1CCCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000653588318 418092402 /nfs/dbraw/zinc/09/24/02/418092402.db2.gz OVTZRCFJMMDQDH-INIZCTEOSA-N 1 3 319.453 0.767 20 0 DCADHO Cn1cncc1CCCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000653588318 418092405 /nfs/dbraw/zinc/09/24/05/418092405.db2.gz OVTZRCFJMMDQDH-INIZCTEOSA-N 1 3 319.453 0.767 20 0 DCADHO C[C@@H](CCNC(=O)NCCCCN1CCN(C)CC1)[NH+](C)C ZINC000664175523 418093740 /nfs/dbraw/zinc/09/37/40/418093740.db2.gz PVAZLHLPSOFGRC-HNNXBMFYSA-N 1 3 313.490 0.653 20 0 DCADHO CN1CCN(CCNC(=O)NCC2([NH3+])CCCC2)CC1(C)C ZINC000659490806 418104603 /nfs/dbraw/zinc/10/46/03/418104603.db2.gz ISBZKJCZMZPEQT-UHFFFAOYSA-N 1 3 311.474 0.583 20 0 DCADHO CN1CCN(CCNC(=O)NCC23CC(C2)C[NH2+]3)CC1(C)C ZINC000659491465 418105116 /nfs/dbraw/zinc/10/51/16/418105116.db2.gz UVVRUECAEGNXAY-UHFFFAOYSA-N 1 3 309.458 0.064 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH3+])CCCC1 ZINC000659573966 418121549 /nfs/dbraw/zinc/12/15/49/418121549.db2.gz WEYIBTIMPGGJOB-CQSZACIVSA-N 1 3 311.474 0.583 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659609070 418125253 /nfs/dbraw/zinc/12/52/53/418125253.db2.gz RUNSSKKNKKJYPV-DOTOQJQBSA-N 1 3 322.453 0.635 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659608853 418125950 /nfs/dbraw/zinc/12/59/50/418125950.db2.gz RKFNKGVMAZIJRI-NUEKZKHPSA-N 1 3 322.453 0.633 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630603 418130927 /nfs/dbraw/zinc/13/09/27/418130927.db2.gz RZGMVJHOURZYQV-LBPRGKRZSA-N 1 3 322.413 0.265 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659630603 418130930 /nfs/dbraw/zinc/13/09/30/418130930.db2.gz RZGMVJHOURZYQV-LBPRGKRZSA-N 1 3 322.413 0.265 20 0 DCADHO C[NH+](C)C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCCC1 ZINC000654348284 418135212 /nfs/dbraw/zinc/13/52/12/418135212.db2.gz AAUBBIQZVLKDNC-LSDHHAIUSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](CN)C1 ZINC000659701791 418152395 /nfs/dbraw/zinc/15/23/95/418152395.db2.gz JLVZMSSXJCIMSL-BARDWOONSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](CN)C1 ZINC000659701791 418152399 /nfs/dbraw/zinc/15/23/99/418152399.db2.gz JLVZMSSXJCIMSL-BARDWOONSA-N 1 3 322.453 0.315 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648769521 418153436 /nfs/dbraw/zinc/15/34/36/418153436.db2.gz YJYRJETXDWKRSI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648769521 418153439 /nfs/dbraw/zinc/15/34/39/418153439.db2.gz YJYRJETXDWKRSI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000659710003 418155997 /nfs/dbraw/zinc/15/59/97/418155997.db2.gz NXALYDXYDRHDNL-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648781963 418157179 /nfs/dbraw/zinc/15/71/79/418157179.db2.gz IDRMKHGTNBEOJF-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648781963 418157181 /nfs/dbraw/zinc/15/71/81/418157181.db2.gz IDRMKHGTNBEOJF-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000659712511 418157501 /nfs/dbraw/zinc/15/75/01/418157501.db2.gz FVMAZWNUHLZWDZ-MCIONIFRSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654541370 418158934 /nfs/dbraw/zinc/15/89/34/418158934.db2.gz JEUXRWBMPVYFDW-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000659717811 418160032 /nfs/dbraw/zinc/16/00/32/418160032.db2.gz JYKVUUBHQLSDLB-GJZGRUSLSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000659726023 418164996 /nfs/dbraw/zinc/16/49/96/418164996.db2.gz HHQVORRBVCEPES-QLFBSQMISA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000659728715 418166460 /nfs/dbraw/zinc/16/64/60/418166460.db2.gz OJXSJCVJRXVKLO-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733710 418168536 /nfs/dbraw/zinc/16/85/36/418168536.db2.gz WSWNLZBFUNGNOZ-ZDUSSCGKSA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734280 418168547 /nfs/dbraw/zinc/16/85/47/418168547.db2.gz KOPLYAFQAQSYEL-UHFFFAOYSA-N 1 3 310.442 0.318 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)C1 ZINC000659738699 418170315 /nfs/dbraw/zinc/17/03/15/418170315.db2.gz INIYZFMABUPFHT-HZSPNIEDSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000659738198 418170579 /nfs/dbraw/zinc/17/05/79/418170579.db2.gz BJWLJBXWCFCCKU-IHRRRGAJSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659740945 418172559 /nfs/dbraw/zinc/17/25/59/418172559.db2.gz GUHHILKYDZRJSK-CHWSQXEVSA-N 1 3 312.458 0.465 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000649344402 418244342 /nfs/dbraw/zinc/24/43/42/418244342.db2.gz WASINKVCFIZKDN-AWEZNQCLSA-N 1 3 313.442 0.324 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000649365985 418248124 /nfs/dbraw/zinc/24/81/24/418248124.db2.gz CWQVALRFNMNNRU-SJORKVTESA-N 1 3 322.497 0.862 20 0 DCADHO CN1CCN(C(=O)CC2CCN(C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000649412447 418252167 /nfs/dbraw/zinc/25/21/67/418252167.db2.gz MHPFIVWWIJDSHV-INIZCTEOSA-N 1 3 308.470 0.472 20 0 DCADHO CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCN(C)C1 ZINC000649000562 418183361 /nfs/dbraw/zinc/18/33/61/418183361.db2.gz XRHAVGILOHVRKL-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665229933 418187771 /nfs/dbraw/zinc/18/77/71/418187771.db2.gz GPZSZUROTMCQSZ-NSHDSACASA-N 1 3 314.455 0.781 20 0 DCADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274675 418191694 /nfs/dbraw/zinc/19/16/94/418191694.db2.gz VQWYUASNLSTLPV-SMLCLMEVSA-N 1 3 323.481 0.972 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649074771 418192750 /nfs/dbraw/zinc/19/27/50/418192750.db2.gz PGJRNUZRPUBYCY-HZSPNIEDSA-N 1 3 310.442 0.438 20 0 DCADHO CC[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CC[C@@H]1[NH3+] ZINC000649416614 418253622 /nfs/dbraw/zinc/25/36/22/418253622.db2.gz GJZCJHGDCFFYPR-BBRMVZONSA-N 1 3 308.470 0.789 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660074859 418228052 /nfs/dbraw/zinc/22/80/52/418228052.db2.gz SMBBWPPFQBHJMY-IRXDYDNUSA-N 1 3 312.502 0.399 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000660074859 418228054 /nfs/dbraw/zinc/22/80/54/418228054.db2.gz SMBBWPPFQBHJMY-IRXDYDNUSA-N 1 3 312.502 0.399 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000660704425 418283135 /nfs/dbraw/zinc/28/31/35/418283135.db2.gz NTOUMCZKWNWVFJ-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000660704425 418283137 /nfs/dbraw/zinc/28/31/37/418283137.db2.gz NTOUMCZKWNWVFJ-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO CC[N@H+]1C[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)[C@@H](C)C1 ZINC000655671408 418287402 /nfs/dbraw/zinc/28/74/02/418287402.db2.gz OFKQKBSVOKOCCD-KKUMJFAQSA-N 1 3 312.458 0.473 20 0 DCADHO CC[N@@H+]1C[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)[C@@H](C)C1 ZINC000655671408 418287404 /nfs/dbraw/zinc/28/74/04/418287404.db2.gz OFKQKBSVOKOCCD-KKUMJFAQSA-N 1 3 312.458 0.473 20 0 DCADHO CCCN1CC[C@@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000660826575 418291890 /nfs/dbraw/zinc/29/18/90/418291890.db2.gz CJLWMOWMJDHDJJ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CCCN1CC[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000660826575 418291892 /nfs/dbraw/zinc/29/18/92/418291892.db2.gz CJLWMOWMJDHDJJ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655913229 418299973 /nfs/dbraw/zinc/29/99/73/418299973.db2.gz FFISZTMOKANCRD-SNVBAGLBSA-N 1 3 312.336 0.286 20 0 DCADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)C(F)(F)F ZINC000655929165 418303732 /nfs/dbraw/zinc/30/37/32/418303732.db2.gz XWVPWGBXEBZMGV-NXEZZACHSA-N 1 3 312.336 0.022 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022177 418318841 /nfs/dbraw/zinc/31/88/41/418318841.db2.gz UIAHCRHUHOTMLU-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000656023770 418319212 /nfs/dbraw/zinc/31/92/12/418319212.db2.gz FEHQAEJNXKJLHX-CHWSQXEVSA-N 1 3 308.426 0.117 20 0 DCADHO [NH3+]C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656028524 418321479 /nfs/dbraw/zinc/32/14/79/418321479.db2.gz MABLXDGBKRNNGV-KBPBESRZSA-N 1 3 308.426 0.069 20 0 DCADHO C[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)CN1CCN(C)CC1 ZINC000655449826 418262929 /nfs/dbraw/zinc/26/29/29/418262929.db2.gz QJNLOQBKXUSANM-BFYDXBDKSA-N 1 3 308.470 0.376 20 0 DCADHO CC[C@H]1[C@@H](CO)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649809014 418275651 /nfs/dbraw/zinc/27/56/51/418275651.db2.gz BVKWSXGJMSYLIG-CJNGLKHVSA-N 1 3 309.454 0.822 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000650895967 418332148 /nfs/dbraw/zinc/33/21/48/418332148.db2.gz LUOGKIWNJDAEQJ-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000650895967 418332150 /nfs/dbraw/zinc/33/21/50/418332150.db2.gz LUOGKIWNJDAEQJ-OAHLLOKOSA-N 1 3 314.474 0.984 20 0 DCADHO C[NH+](C)CCCN1C(=O)C[C@@H](N2C[C@]3(C)COC[C@]3(C)C2)C1=O ZINC000656478762 418357867 /nfs/dbraw/zinc/35/78/67/418357867.db2.gz QIAXGCAKERORDT-XYPHTWIQSA-N 1 3 323.437 0.424 20 0 DCADHO O=C(CN[C@@H]1C[C@H](O)C12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000661838029 418363649 /nfs/dbraw/zinc/36/36/49/418363649.db2.gz WVHHRPNCIPMLLE-CABCVRRESA-N 1 3 307.438 0.623 20 0 DCADHO CN1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H](CN)C1 ZINC000662429354 418409377 /nfs/dbraw/zinc/40/93/77/418409377.db2.gz OWDOMPUEFUMPDB-CVEARBPZSA-N 1 3 316.449 0.780 20 0 DCADHO C[C@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])C(=O)N(C)C ZINC000662316533 418400932 /nfs/dbraw/zinc/40/09/32/418400932.db2.gz WVHWFADODJQUDR-HZSPNIEDSA-N 1 3 312.458 0.419 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000187177583 261123225 /nfs/dbraw/zinc/12/32/25/261123225.db2.gz HPPIQODQUBAVQK-HNNXBMFYSA-N 1 3 314.474 0.722 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000340506179 261183132 /nfs/dbraw/zinc/18/31/32/261183132.db2.gz IRBVRHAAJFEHKL-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000340506179 261183135 /nfs/dbraw/zinc/18/31/35/261183135.db2.gz IRBVRHAAJFEHKL-CYBMUJFWSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N(C)CC(=O)OC)C[C@@H]1C ZINC000354225662 261192644 /nfs/dbraw/zinc/19/26/44/261192644.db2.gz SNNORFMQCCHETB-KBPBESRZSA-N 1 3 313.442 0.813 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N(C)CC(=O)OC)C[C@@H]1C ZINC000354225662 261192647 /nfs/dbraw/zinc/19/26/47/261192647.db2.gz SNNORFMQCCHETB-KBPBESRZSA-N 1 3 313.442 0.813 20 0 DCADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000354550527 261235607 /nfs/dbraw/zinc/23/56/07/261235607.db2.gz JXRWBVBYJBIFSW-BPLDGKMQSA-N 1 3 312.458 0.614 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354655962 261251700 /nfs/dbraw/zinc/25/17/00/261251700.db2.gz HOYBSZNZODJINL-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000354703388 261262071 /nfs/dbraw/zinc/26/20/71/261262071.db2.gz YZHONDMBINGETN-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000355014562 261297006 /nfs/dbraw/zinc/29/70/06/261297006.db2.gz QRKUKFLKAGRMAP-AWEZNQCLSA-N 1 3 312.458 0.474 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000355014562 261297008 /nfs/dbraw/zinc/29/70/08/261297008.db2.gz QRKUKFLKAGRMAP-AWEZNQCLSA-N 1 3 312.458 0.474 20 0 DCADHO CCN1CCN(Cc2ccccc2CNC(=O)NCC[NH3+])CC1 ZINC000416990547 262243167 /nfs/dbraw/zinc/24/31/67/262243167.db2.gz NMRQGSQHPDPTNN-UHFFFAOYSA-N 1 3 319.453 0.582 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417027627 262244019 /nfs/dbraw/zinc/24/40/19/262244019.db2.gz NTSYEGBPBKGENW-ZNMIVQPWSA-N 1 3 312.458 0.642 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417027627 262244020 /nfs/dbraw/zinc/24/40/20/262244020.db2.gz NTSYEGBPBKGENW-ZNMIVQPWSA-N 1 3 312.458 0.642 20 0 DCADHO CN(CCNC(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000417226787 262247713 /nfs/dbraw/zinc/24/77/13/262247713.db2.gz AVRJFXTWSKWVMG-INIZCTEOSA-N 1 3 320.437 0.796 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000417749800 262260072 /nfs/dbraw/zinc/26/00/72/262260072.db2.gz JTZGHWIVTFMLPR-LSDHHAIUSA-N 1 3 313.490 0.687 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)NCCN(C)CCCOC)CC1 ZINC000417761028 262260833 /nfs/dbraw/zinc/26/08/33/262260833.db2.gz YMXFBHCUCMTIDB-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCN1C ZINC000417999895 262267564 /nfs/dbraw/zinc/26/75/64/262267564.db2.gz IYXJQITZRLDGBP-ILXRZTDVSA-N 1 3 309.458 0.158 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CC[NH3+])CCO ZINC000418009556 262267831 /nfs/dbraw/zinc/26/78/31/262267831.db2.gz ILIOHTOTGDPTGK-ZBFHGGJFSA-N 1 3 320.437 0.470 20 0 DCADHO CC[NH+](CC)CCOCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418015845 262267998 /nfs/dbraw/zinc/26/79/98/262267998.db2.gz FBOVFUDKDKLHOE-UONOGXRCSA-N 1 3 300.447 0.737 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000418424516 262277621 /nfs/dbraw/zinc/27/76/21/262277621.db2.gz HMHXIUJLNBPJQC-AWEZNQCLSA-N 1 3 313.490 0.829 20 0 DCADHO [NH3+]CCCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418523894 262280840 /nfs/dbraw/zinc/28/08/40/262280840.db2.gz KRPPNUWIDOAYKV-KRWDZBQOSA-N 1 3 320.437 0.662 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418590557 262283351 /nfs/dbraw/zinc/28/33/51/262283351.db2.gz KZAAVBCINOKPSV-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418683141 262286417 /nfs/dbraw/zinc/28/64/17/262286417.db2.gz IZKBKVJSFFLVNC-QLFBSQMISA-N 1 3 304.394 0.030 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418827652 262291726 /nfs/dbraw/zinc/29/17/26/262291726.db2.gz DRPWOFGTJWRLLY-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000418932998 262299696 /nfs/dbraw/zinc/29/96/96/262299696.db2.gz IGDGUDKCUKNWNL-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCCC[NH3+])N(C)Cc1ccccc1 ZINC000418965838 262300570 /nfs/dbraw/zinc/30/05/70/262300570.db2.gz PHVMEMGFQMIWEK-AWEZNQCLSA-N 1 3 320.437 0.478 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418972586 262301194 /nfs/dbraw/zinc/30/11/94/262301194.db2.gz ZCAHUFTWKGOOOV-UKRRQHHQSA-N 1 3 318.421 0.101 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000419003137 262303280 /nfs/dbraw/zinc/30/32/80/262303280.db2.gz TYFVYETXCYVBGN-UHFFFAOYSA-N 1 3 318.421 0.362 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419007491 262303745 /nfs/dbraw/zinc/30/37/45/262303745.db2.gz XWCRHQOVSPAGAW-HNNXBMFYSA-N 1 3 320.437 0.464 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419072184 262306129 /nfs/dbraw/zinc/30/61/29/262306129.db2.gz AZZLUMQRMHNEJL-KGLIPLIRSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419076391 262306839 /nfs/dbraw/zinc/30/68/39/262306839.db2.gz HMSKUTXKVOETIZ-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419125688 262310899 /nfs/dbraw/zinc/31/08/99/262310899.db2.gz UKTYNJDFGBLDOC-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419125703 262311095 /nfs/dbraw/zinc/31/10/95/262311095.db2.gz UOHDYYASXVZVGT-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419163445 262315219 /nfs/dbraw/zinc/31/52/19/262315219.db2.gz WLMYPZKVIHMSJN-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)N1CCC(C)CC1 ZINC000419160964 262315415 /nfs/dbraw/zinc/31/54/15/262315415.db2.gz QYATUNLYYMFOBV-ZNMIVQPWSA-N 1 3 324.469 0.480 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419167767 262315743 /nfs/dbraw/zinc/31/57/43/262315743.db2.gz JHZHLNZAUFFLDM-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419175278 262316880 /nfs/dbraw/zinc/31/68/80/262316880.db2.gz XCSCENLUOPYFRG-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419175789 262317068 /nfs/dbraw/zinc/31/70/68/262317068.db2.gz YENGCENGIUWJTE-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419221512 262320369 /nfs/dbraw/zinc/32/03/69/262320369.db2.gz ATVFCQWADBZKEK-JSGCOSHPSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419234214 262322184 /nfs/dbraw/zinc/32/21/84/262322184.db2.gz XFNMHKBXCGZYDS-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)N1CCC(C)CC1 ZINC000419372719 262328184 /nfs/dbraw/zinc/32/81/84/262328184.db2.gz MWKHBDBUUVBXNY-HNNXBMFYSA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)N1CCC(C)CC1 ZINC000419372720 262328421 /nfs/dbraw/zinc/32/84/21/262328421.db2.gz MWKHBDBUUVBXNY-OAHLLOKOSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)[N@H+](C)C1CC1 ZINC000419588463 262338972 /nfs/dbraw/zinc/33/89/72/262338972.db2.gz OGSZMKJCYUZLDN-IUODEOHRSA-N 1 3 318.421 0.402 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000419588463 262338973 /nfs/dbraw/zinc/33/89/73/262338973.db2.gz OGSZMKJCYUZLDN-IUODEOHRSA-N 1 3 318.421 0.402 20 0 DCADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000419593760 262339499 /nfs/dbraw/zinc/33/94/99/262339499.db2.gz UCSYYDSVIWSSHF-RYUDHWBXSA-N 1 3 310.442 0.171 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419596089 262339618 /nfs/dbraw/zinc/33/96/18/262339618.db2.gz XPGRWRPFERFKHF-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419596072 262339728 /nfs/dbraw/zinc/33/97/28/262339728.db2.gz XMVXBLICXQLOHF-WMLDXEAASA-N 1 3 324.469 0.483 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419692144 262345583 /nfs/dbraw/zinc/34/55/83/262345583.db2.gz GAYQCJNXYOSZFN-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419692143 262345818 /nfs/dbraw/zinc/34/58/18/262345818.db2.gz GAYQCJNXYOSZFN-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419701235 262347523 /nfs/dbraw/zinc/34/75/23/262347523.db2.gz YWJQJAISZRIYQX-DYVFJYSZSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419840382 262348494 /nfs/dbraw/zinc/34/84/94/262348494.db2.gz ZJJKAGACRHAUIY-HZSPNIEDSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419840382 262348495 /nfs/dbraw/zinc/34/84/95/262348495.db2.gz ZJJKAGACRHAUIY-HZSPNIEDSA-N 1 3 310.442 0.219 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420058604 262358260 /nfs/dbraw/zinc/35/82/60/262358260.db2.gz JZIRTIPDEQTUKA-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420073008 262359649 /nfs/dbraw/zinc/35/96/49/262359649.db2.gz XTACRXZEOJLVAD-ZNMIVQPWSA-N 1 3 324.469 0.420 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000422109793 262396072 /nfs/dbraw/zinc/39/60/72/262396072.db2.gz VUQGGZLRPZVSNY-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000422109793 262396073 /nfs/dbraw/zinc/39/60/73/262396073.db2.gz VUQGGZLRPZVSNY-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000423173263 262431457 /nfs/dbraw/zinc/43/14/57/262431457.db2.gz XRWMWFXFRYKGFW-LSDHHAIUSA-N 1 3 322.453 0.413 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)CN(C)C)CC1 ZINC000358521307 271054975 /nfs/dbraw/zinc/05/49/75/271054975.db2.gz IKRVHLWSQSMTLU-ZDUSSCGKSA-N 1 3 300.447 0.471 20 0 DCADHO CN1CCC[C@H]1CC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000363458711 271192325 /nfs/dbraw/zinc/19/23/25/271192325.db2.gz AFBBFOUMVHKXHT-XJKSGUPXSA-N 1 3 308.426 0.781 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCCC[NH2+]C ZINC000418281829 271239951 /nfs/dbraw/zinc/23/99/51/271239951.db2.gz VVOMQBZOLXUMGI-UHFFFAOYSA-N 1 3 313.490 0.655 20 0 DCADHO C[NH2+]CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418330896 271243687 /nfs/dbraw/zinc/24/36/87/271243687.db2.gz PNQIFBGRRDGVIW-ZIAGYGMSSA-N 1 3 312.458 0.737 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418457111 271245075 /nfs/dbraw/zinc/24/50/75/271245075.db2.gz GMZZHEKHINSIPU-INIZCTEOSA-N 1 3 312.458 0.665 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418717921 271252207 /nfs/dbraw/zinc/25/22/07/271252207.db2.gz TVZDOLTYQSZFPV-NEPJUHHUSA-N 1 3 322.400 0.361 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418717939 271252278 /nfs/dbraw/zinc/25/22/78/271252278.db2.gz TVZDOLTYQSZFPV-RYUDHWBXSA-N 1 3 322.400 0.361 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418721554 271252419 /nfs/dbraw/zinc/25/24/19/271252419.db2.gz MIWTWKFCDYEXKT-LXTVHRRPSA-N 1 3 312.458 0.600 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419026740 271265829 /nfs/dbraw/zinc/26/58/29/271265829.db2.gz NNSVWYNGGZFFOJ-LXTVHRRPSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419026741 271266192 /nfs/dbraw/zinc/26/61/92/271266192.db2.gz NNSVWYNGGZFFOJ-XGUBFFRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419031358 271267301 /nfs/dbraw/zinc/26/73/01/271267301.db2.gz VGXBUXNERFYMIV-KFWWJZLASA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419033676 271269396 /nfs/dbraw/zinc/26/93/96/271269396.db2.gz YORVSKGFGTTZCI-MBNYWOFBSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419402287 271288287 /nfs/dbraw/zinc/28/82/87/271288287.db2.gz CDIZKGMPFGULMP-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419529960 271298590 /nfs/dbraw/zinc/29/85/90/271298590.db2.gz YIQDQGMWTHJVNV-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419705070 271323173 /nfs/dbraw/zinc/32/31/73/271323173.db2.gz ZENFSXKWHUWPQG-ZIAGYGMSSA-N 1 3 312.458 0.324 20 0 DCADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCCN)C2)CC1 ZINC000419811514 271326368 /nfs/dbraw/zinc/32/63/68/271326368.db2.gz CXFCCOGCILOVRV-AWEZNQCLSA-N 1 3 310.442 0.032 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419809318 271326550 /nfs/dbraw/zinc/32/65/50/271326550.db2.gz WGWLZRPBMHFTNG-ZDUSSCGKSA-N 1 3 310.442 0.365 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419858374 271333794 /nfs/dbraw/zinc/33/37/94/271333794.db2.gz LPNBVRJNAIHZDA-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419906038 271342667 /nfs/dbraw/zinc/34/26/67/271342667.db2.gz ZOAKVPDADLTDPS-MCIONIFRSA-N 1 3 310.442 0.314 20 0 DCADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000419937169 271345364 /nfs/dbraw/zinc/34/53/64/271345364.db2.gz MLQZRTKSAKCPHW-MGPQQGTHSA-N 1 3 310.442 0.090 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419950455 271349602 /nfs/dbraw/zinc/34/96/02/271349602.db2.gz MKIXXDZCHZLRGN-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000420011225 271351472 /nfs/dbraw/zinc/35/14/72/271351472.db2.gz GLLMGCCZBATNDP-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000420011225 271351476 /nfs/dbraw/zinc/35/14/76/271351476.db2.gz GLLMGCCZBATNDP-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCN(C)C2=O)CC[NH2+]CC1 ZINC000422822782 271387355 /nfs/dbraw/zinc/38/73/55/271387355.db2.gz KPFRGXSLTSDJFS-STQMWFEESA-N 1 3 311.426 0.518 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCCNC2=O)CC[NH2+]CC1 ZINC000422835070 271387941 /nfs/dbraw/zinc/38/79/41/271387941.db2.gz YBBIDJBSNBYLND-STQMWFEESA-N 1 3 311.426 0.566 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000518526138 272486901 /nfs/dbraw/zinc/48/69/01/272486901.db2.gz JNQRCNQWZFDWEN-AWEZNQCLSA-N 1 3 311.426 0.520 20 0 DCADHO C[NH+](C)CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524792613 272570006 /nfs/dbraw/zinc/57/00/06/272570006.db2.gz JKAMSXVJACPFSK-KRWDZBQOSA-N 1 3 305.422 0.691 20 0 DCADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCN1 ZINC000333386586 276122574 /nfs/dbraw/zinc/12/25/74/276122574.db2.gz OFCZQKOUFLWOPF-LSDHHAIUSA-N 1 3 324.469 0.758 20 0 DCADHO CSC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000364450762 278138519 /nfs/dbraw/zinc/13/85/19/278138519.db2.gz TVVOEPMPLFTWSM-RRFJBIMHSA-N 1 3 301.500 0.668 20 0 DCADHO CC1(C)CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCN1 ZINC000333487381 278300807 /nfs/dbraw/zinc/30/08/07/278300807.db2.gz CWMMNFOSGJAZEA-UHFFFAOYSA-N 1 3 323.485 0.596 20 0 DCADHO CC1(C)CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CCN1 ZINC000333487381 278300809 /nfs/dbraw/zinc/30/08/09/278300809.db2.gz CWMMNFOSGJAZEA-UHFFFAOYSA-N 1 3 323.485 0.596 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000333919461 278868172 /nfs/dbraw/zinc/86/81/72/278868172.db2.gz PDGDTSHYEMCVSG-UHFFFAOYSA-N 1 3 310.442 0.491 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000370117272 279034962 /nfs/dbraw/zinc/03/49/62/279034962.db2.gz QNFNUCIEQICCIM-XHSDSOJGSA-N 1 3 324.469 0.833 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000370117272 279034963 /nfs/dbraw/zinc/03/49/63/279034963.db2.gz QNFNUCIEQICCIM-XHSDSOJGSA-N 1 3 324.469 0.833 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000359252182 279189430 /nfs/dbraw/zinc/18/94/30/279189430.db2.gz OADSMSWKCSDQSU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000359252182 279189431 /nfs/dbraw/zinc/18/94/31/279189431.db2.gz OADSMSWKCSDQSU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000340783297 279331685 /nfs/dbraw/zinc/33/16/85/279331685.db2.gz WAZNMHURTLXJAO-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ncn(C)n1 ZINC000548693018 288168003 /nfs/dbraw/zinc/16/80/03/288168003.db2.gz PIBNOWSQRZAEJB-GFCCVEGCSA-N 1 3 311.434 0.011 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353802179 280086847 /nfs/dbraw/zinc/08/68/47/280086847.db2.gz BNCAEJSVUYFMRC-LZWOXQAQSA-N 1 3 307.438 0.698 20 0 DCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000554491465 288323357 /nfs/dbraw/zinc/32/33/57/288323357.db2.gz DTCJUMCHDXXUHL-GOEBONIOSA-N 1 3 308.470 0.565 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000555704863 288360386 /nfs/dbraw/zinc/36/03/86/288360386.db2.gz BLUZNABEZXEVOU-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CSC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000561565915 288547852 /nfs/dbraw/zinc/54/78/52/288547852.db2.gz DVRNEGOCURQBOZ-CHWSQXEVSA-N 1 3 302.488 0.873 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000563406054 288670746 /nfs/dbraw/zinc/67/07/46/288670746.db2.gz PWVKOKXHMZHRLO-ZDUSSCGKSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@H]1CN(CC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000564584232 288751815 /nfs/dbraw/zinc/75/18/15/288751815.db2.gz GECMSJGRQNHFEW-DZKIICNBSA-N 1 3 324.469 0.879 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000333429391 289015494 /nfs/dbraw/zinc/01/54/94/289015494.db2.gz UJOGCFAEPVLIOQ-SJXGUFTOSA-N 1 3 324.469 0.756 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCC3([NH+](C)C)CCC3)C[C@H]2N)cn1 ZINC000333573378 289049225 /nfs/dbraw/zinc/04/92/25/289049225.db2.gz MTQIEXQVZGHVMJ-UONOGXRCSA-N 1 3 320.441 0.341 20 0 DCADHO NC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000420068753 295262073 /nfs/dbraw/zinc/26/20/73/295262073.db2.gz VCUHQJUJNIOHNX-GJZGRUSLSA-N 1 3 322.453 0.317 20 0 DCADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423630887 295294337 /nfs/dbraw/zinc/29/43/37/295294337.db2.gz FMFONBNPZWFZPI-CVEARBPZSA-N 1 3 308.470 0.790 20 0 DCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000277113712 298985102 /nfs/dbraw/zinc/98/51/02/298985102.db2.gz VZTCSYHSUHKTOQ-GJZGRUSLSA-N 1 3 319.453 0.693 20 0 DCADHO N[C@@H]1C[C@H]2CN(C(=O)CC[C@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000580213711 333013510 /nfs/dbraw/zinc/01/35/10/333013510.db2.gz CXTKMGNKUCLUHI-SOUVJXGZSA-N 1 3 316.405 0.237 20 0 DCADHO CCOC(=O)CC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000574983425 334121072 /nfs/dbraw/zinc/12/10/72/334121072.db2.gz KKTCUVYEMPYWTI-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@H]2c2ccncc2)C1 ZINC000584350929 336060832 /nfs/dbraw/zinc/06/08/32/336060832.db2.gz IUMQTAVZNZLERW-ZBFHGGJFSA-N 1 3 317.437 0.225 20 0 DCADHO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000582609576 337113485 /nfs/dbraw/zinc/11/34/85/337113485.db2.gz MXSHENJUTZLDKM-IYBDPMFKSA-N 1 3 317.433 0.997 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000583824180 337337105 /nfs/dbraw/zinc/33/71/05/337337105.db2.gz VNQXONAFQNZHJI-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CCC[C@@](CO)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001447047263 1159568658 /nfs/dbraw/zinc/56/86/58/1159568658.db2.gz XOWIGWVIGAIOON-MRXNPFEDSA-N 1 3 313.442 0.060 20 0 DCADHO CN(C)CCn1c2cc(NC(=O)CCC[NH3+])ccc2oc1=O ZINC000236988605 521818160 /nfs/dbraw/zinc/81/81/60/521818160.db2.gz QDKKQTGOPIFIDR-UHFFFAOYSA-N 1 3 306.366 0.834 20 0 DCADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000364154374 522037992 /nfs/dbraw/zinc/03/79/92/522037992.db2.gz FLJHZSKCFDXFFY-KFWWJZLASA-N 1 3 310.442 0.585 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000332009484 529006804 /nfs/dbraw/zinc/00/68/04/529006804.db2.gz PANWAEATUNBWMG-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342981091 546126189 /nfs/dbraw/zinc/12/61/89/546126189.db2.gz ZWAZHFVGKSWAAB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000342997637 546128288 /nfs/dbraw/zinc/12/82/88/546128288.db2.gz WUBANYARGZMCKC-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO C[NH2+]CCN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000417363018 546244626 /nfs/dbraw/zinc/24/46/26/546244626.db2.gz LSGHEFPRDRWBDF-UHFFFAOYSA-N 1 3 308.426 0.988 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000666756388 546503971 /nfs/dbraw/zinc/50/39/71/546503971.db2.gz JOXUJMDNQFNTRV-GOEBONIOSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000666754112 546504550 /nfs/dbraw/zinc/50/45/50/546504550.db2.gz GPNCSWKIGPXCBR-ILXRZTDVSA-N 1 3 312.458 0.423 20 0 DCADHO COc1cncnc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667105584 546556489 /nfs/dbraw/zinc/55/64/89/546556489.db2.gz ZLKWVZJBMPJSBI-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO COc1cncnc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667105584 546556491 /nfs/dbraw/zinc/55/64/91/546556491.db2.gz ZLKWVZJBMPJSBI-LBPRGKRZSA-N 1 3 324.429 0.879 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000668420822 546757203 /nfs/dbraw/zinc/75/72/03/546757203.db2.gz MMJAQURCMFTWOI-AWEZNQCLSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]CC2)CCSC1 ZINC000669514885 546983075 /nfs/dbraw/zinc/98/30/75/546983075.db2.gz OXXUOPKBLCHUFW-GXTWGEPZSA-N 1 3 300.472 0.865 20 0 DCADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CCSC1 ZINC000669514906 546984100 /nfs/dbraw/zinc/98/41/00/546984100.db2.gz REWBVADWCLRLCB-JSGCOSHPSA-N 1 3 300.472 0.865 20 0 DCADHO CN(C)CCOc1cc(CNC(=O)NCC[NH2+]C2CC2)ccn1 ZINC000669547185 546990218 /nfs/dbraw/zinc/99/02/18/546990218.db2.gz UDPNSOYYPLYLHV-UHFFFAOYSA-N 1 3 321.425 0.573 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000669718838 547010389 /nfs/dbraw/zinc/01/03/89/547010389.db2.gz GHNXGOZZNICOKQ-AJNGGQMLSA-N 1 3 315.483 0.921 20 0 DCADHO C[NH+](C)CCN1C(=O)C[C@@H](N2CC[C@@]3(C2)CCCOC3)C1=O ZINC000671191826 547175491 /nfs/dbraw/zinc/17/54/91/547175491.db2.gz INTRBGFWIHMVEB-CZUORRHYSA-N 1 3 309.410 0.178 20 0 DCADHO C[C@@H](NC(=O)C(=O)NCC1(N(C)C)CCC1)C1CC[NH+](C)CC1 ZINC000672982222 547430737 /nfs/dbraw/zinc/43/07/37/547430737.db2.gz WLRRWRTTXGKGGF-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000673669162 547513154 /nfs/dbraw/zinc/51/31/54/547513154.db2.gz FLFJZDXYHYRIMV-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000675532519 547688245 /nfs/dbraw/zinc/68/82/45/547688245.db2.gz KOTZQCPMOFTCFC-AWEZNQCLSA-N 1 3 312.458 0.615 20 0 DCADHO C(CN1CCOCC1)N1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000677242339 547857689 /nfs/dbraw/zinc/85/76/89/547857689.db2.gz XWNBYGHPCPCOHK-FGTMMUONSA-N 1 3 322.497 0.609 20 0 DCADHO C(CN1CCOCC1)N1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000677242339 547857694 /nfs/dbraw/zinc/85/76/94/547857694.db2.gz XWNBYGHPCPCOHK-FGTMMUONSA-N 1 3 322.497 0.609 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000677845025 547909009 /nfs/dbraw/zinc/90/90/09/547909009.db2.gz WHFAEKBUNMSHFW-MRXNPFEDSA-N 1 3 315.421 0.120 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000684966585 548665207 /nfs/dbraw/zinc/66/52/07/548665207.db2.gz IIMTUMSACCPIMP-AWEZNQCLSA-N 1 3 321.469 0.477 20 0 DCADHO CCN1CCN(CCC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000684986799 548668868 /nfs/dbraw/zinc/66/88/68/548668868.db2.gz DYUCRIRREJXGGO-UHFFFAOYSA-N 1 3 310.486 0.958 20 0 DCADHO CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978554808 660559239 /nfs/dbraw/zinc/55/92/39/660559239.db2.gz JBGDVPOCOUDGIF-UAEIHBMGSA-N 1 3 319.449 0.554 20 0 DCADHO CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978554808 660559241 /nfs/dbraw/zinc/55/92/41/660559241.db2.gz JBGDVPOCOUDGIF-UAEIHBMGSA-N 1 3 319.449 0.554 20 0 DCADHO O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCCN(CCCO)CC1 ZINC000981152287 661089041 /nfs/dbraw/zinc/08/90/41/661089041.db2.gz GGPGWYQIMIEYJQ-HZPDHXFCSA-N 1 3 309.454 0.778 20 0 DCADHO O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCCN(CCCO)CC1 ZINC000981152287 661089043 /nfs/dbraw/zinc/08/90/43/661089043.db2.gz GGPGWYQIMIEYJQ-HZPDHXFCSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812245 661222583 /nfs/dbraw/zinc/22/25/83/661222583.db2.gz LISCLOSAWVQUGN-AWEZNQCLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812245 661222586 /nfs/dbraw/zinc/22/25/86/661222586.db2.gz LISCLOSAWVQUGN-AWEZNQCLSA-N 1 3 309.454 0.776 20 0 DCADHO Cn1cc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000998269904 665427377 /nfs/dbraw/zinc/42/73/77/665427377.db2.gz QKROEAPLXCWZFS-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1ccc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998273408 665427966 /nfs/dbraw/zinc/42/79/66/665427966.db2.gz PMZFPCSPLOAYBE-OAHLLOKOSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998273408 665427968 /nfs/dbraw/zinc/42/79/68/665427968.db2.gz PMZFPCSPLOAYBE-OAHLLOKOSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001023086541 657488558 /nfs/dbraw/zinc/48/85/58/657488558.db2.gz OOKNQQTYZJZBHI-SYQHCUMBSA-N 1 3 303.410 0.726 20 0 DCADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001023086541 657488564 /nfs/dbraw/zinc/48/85/64/657488564.db2.gz OOKNQQTYZJZBHI-SYQHCUMBSA-N 1 3 303.410 0.726 20 0 DCADHO COCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041677279 657495500 /nfs/dbraw/zinc/49/55/00/657495500.db2.gz ADGUQILUBDSHKO-NVXWUHKLSA-N 1 3 309.454 0.899 20 0 DCADHO COCC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041677279 657495508 /nfs/dbraw/zinc/49/55/08/657495508.db2.gz ADGUQILUBDSHKO-NVXWUHKLSA-N 1 3 309.454 0.899 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000892335553 657498794 /nfs/dbraw/zinc/49/87/94/657498794.db2.gz UFZYCEUMVGJFRT-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000892335553 657498797 /nfs/dbraw/zinc/49/87/97/657498797.db2.gz UFZYCEUMVGJFRT-AWEZNQCLSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CCN(C)CC1 ZINC000891600519 657514228 /nfs/dbraw/zinc/51/42/28/657514228.db2.gz BZYOMYCKSATPEM-KFWWJZLASA-N 1 3 309.458 0.016 20 0 DCADHO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020407300 657532696 /nfs/dbraw/zinc/53/26/96/657532696.db2.gz XOYCVESGEFQXBK-WHJSIAKGSA-N 1 3 307.438 0.742 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1)C1CC1 ZINC000971679873 657556042 /nfs/dbraw/zinc/55/60/42/657556042.db2.gz WHHSMVXCLQHATA-HZPDHXFCSA-N 1 3 319.453 0.756 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1)C1CC1 ZINC000971679873 657556048 /nfs/dbraw/zinc/55/60/48/657556048.db2.gz WHHSMVXCLQHATA-HZPDHXFCSA-N 1 3 319.453 0.756 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970489479 657569706 /nfs/dbraw/zinc/56/97/06/657569706.db2.gz CXHNBRHFVODVLT-CYBMUJFWSA-N 1 3 303.410 0.206 20 0 DCADHO O=C(c1[nH]nc2c1CNCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000446376302 665512302 /nfs/dbraw/zinc/51/23/02/665512302.db2.gz IDXUAKMOLGIJSL-GFCCVEGCSA-N 1 3 303.410 0.756 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000969560962 657988268 /nfs/dbraw/zinc/98/82/68/657988268.db2.gz YCLMVANJAZHIHF-OAHLLOKOSA-N 1 3 319.453 0.985 20 0 DCADHO CC(C)N1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC000969588595 658004019 /nfs/dbraw/zinc/00/40/19/658004019.db2.gz OMULOAVQEBXDGT-QLFBSQMISA-N 1 3 322.453 0.280 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)NC[C@H]1Cc2ccccc2CN1 ZINC000892067492 658156150 /nfs/dbraw/zinc/15/61/50/658156150.db2.gz VKXBNUXBWLJARW-MRXNPFEDSA-N 1 3 300.406 0.920 20 0 DCADHO C[NH+]1CCC2(CCN(C(=O)NC[C@@H]3CNCCO3)CC2)CC1 ZINC000892179695 658271049 /nfs/dbraw/zinc/27/10/49/658271049.db2.gz KHXKSGXDXADUPN-AWEZNQCLSA-N 1 3 310.442 0.492 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001023889575 658297569 /nfs/dbraw/zinc/29/75/69/658297569.db2.gz PWKZNYJALLPYPN-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000969968948 658302040 /nfs/dbraw/zinc/30/20/40/658302040.db2.gz WEUQWKWMVGNMHU-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC000969968671 658302570 /nfs/dbraw/zinc/30/25/70/658302570.db2.gz VDISYAOCNHXASM-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001024178667 658507737 /nfs/dbraw/zinc/50/77/37/658507737.db2.gz CDOJKECZTSYZSP-GXTWGEPZSA-N 1 3 319.409 0.011 20 0 DCADHO COCC[NH+](CCOC)C1CCN(c2cc(C)nc(N)n2)CC1 ZINC000804819156 658676451 /nfs/dbraw/zinc/67/64/51/658676451.db2.gz NAAVLCVSOQFLDE-UHFFFAOYSA-N 1 3 323.441 0.931 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892496813 658727126 /nfs/dbraw/zinc/72/71/26/658727126.db2.gz LXZOKEJJHZAMQF-CQSZACIVSA-N 1 3 314.474 0.984 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891439645 658760929 /nfs/dbraw/zinc/76/09/29/658760929.db2.gz OSFXBWASQYFAFV-GMTAPVOTSA-N 1 3 308.348 0.859 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021096471 658764649 /nfs/dbraw/zinc/76/46/49/658764649.db2.gz ULQVHPDOJJQDNB-ZQDZILKHSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1)C(N)=O ZINC000970270086 658795778 /nfs/dbraw/zinc/79/57/78/658795778.db2.gz HFMBTADCCWPSEI-SWLSCSKDSA-N 1 3 318.421 0.426 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954835767 658799567 /nfs/dbraw/zinc/79/95/67/658799567.db2.gz WJNRRVVXFNNHCN-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954835767 658799571 /nfs/dbraw/zinc/79/95/71/658799571.db2.gz WJNRRVVXFNNHCN-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022068957 658825790 /nfs/dbraw/zinc/82/57/90/658825790.db2.gz DIAWGPMUXUHWPJ-QLFBSQMISA-N 1 3 320.441 0.388 20 0 DCADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+][C@H]2CCNC2=O)CCC1 ZINC001024985403 658847116 /nfs/dbraw/zinc/84/71/16/658847116.db2.gz PZUGBODFFULDOD-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C2CN(CCCO)C2)C1 ZINC000970319263 658860105 /nfs/dbraw/zinc/86/01/05/658860105.db2.gz SLXGSHHSARFAEZ-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C2CN(CCCO)C2)C1 ZINC000970319263 658860113 /nfs/dbraw/zinc/86/01/13/658860113.db2.gz SLXGSHHSARFAEZ-GJZGRUSLSA-N 1 3 311.470 0.927 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC000970335591 658873808 /nfs/dbraw/zinc/87/38/08/658873808.db2.gz RXUABWRXQPQMRN-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891513334 658899133 /nfs/dbraw/zinc/89/91/33/658899133.db2.gz AUMBKEBISXACOB-HGTKMLMNSA-N 1 3 308.426 0.433 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC000999347250 665633424 /nfs/dbraw/zinc/63/34/24/665633424.db2.gz HYKDTEPNCXZYAK-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1)C1CCC1 ZINC000999363905 665637028 /nfs/dbraw/zinc/63/70/28/665637028.db2.gz KUXPNGGZCOQMKU-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027170882 659057981 /nfs/dbraw/zinc/05/79/81/659057981.db2.gz PYKWTZBNQBGCCL-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](CNCc3cnns3)C2)C1 ZINC001027170882 659057988 /nfs/dbraw/zinc/05/79/88/659057988.db2.gz PYKWTZBNQBGCCL-QWHCGFSZSA-N 1 3 323.466 0.818 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1)C1CC1 ZINC000999372197 665638638 /nfs/dbraw/zinc/63/86/38/665638638.db2.gz OMZVIWJGYYHJFX-CVEARBPZSA-N 1 3 319.453 0.804 20 0 DCADHO COc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)on1 ZINC001027218043 659090528 /nfs/dbraw/zinc/09/05/28/659090528.db2.gz WPFNTWUOXDBMPJ-CYBMUJFWSA-N 1 3 322.409 0.717 20 0 DCADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC000999597595 665662828 /nfs/dbraw/zinc/66/28/28/665662828.db2.gz GBBSAHFNADBDJO-HSBZDZAISA-N 1 3 310.442 0.171 20 0 DCADHO Cn1ccc(CNC2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001026605400 659410379 /nfs/dbraw/zinc/41/03/79/659410379.db2.gz OFIHIEUOSKUJDE-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CNC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001026605400 659410382 /nfs/dbraw/zinc/41/03/82/659410382.db2.gz OFIHIEUOSKUJDE-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892798343 659459489 /nfs/dbraw/zinc/45/94/89/659459489.db2.gz BVOUXBAXFSJDJP-DOTOQJQBSA-N 1 3 318.421 0.067 20 0 DCADHO C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892798343 659459493 /nfs/dbraw/zinc/45/94/93/659459493.db2.gz BVOUXBAXFSJDJP-DOTOQJQBSA-N 1 3 318.421 0.067 20 0 DCADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892819828 659472364 /nfs/dbraw/zinc/47/23/64/659472364.db2.gz SKXXKFYQLDQAHH-XUWVNRHRSA-N 1 3 322.453 0.728 20 0 DCADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892819828 659472365 /nfs/dbraw/zinc/47/23/65/659472365.db2.gz SKXXKFYQLDQAHH-XUWVNRHRSA-N 1 3 322.453 0.728 20 0 DCADHO CCn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026728146 659482915 /nfs/dbraw/zinc/48/29/15/659482915.db2.gz ZMNGLQSDWAORLO-HUUCEWRRSA-N 1 3 319.453 0.935 20 0 DCADHO CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000999760396 665680813 /nfs/dbraw/zinc/68/08/13/665680813.db2.gz GKDCWLBFQLJEFA-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000892943870 659541479 /nfs/dbraw/zinc/54/14/79/659541479.db2.gz LHKHUAFICUMMJQ-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000892943870 659541481 /nfs/dbraw/zinc/54/14/81/659541481.db2.gz LHKHUAFICUMMJQ-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892944355 659541653 /nfs/dbraw/zinc/54/16/53/659541653.db2.gz PHUSYDAMDFNUEL-ZNMIVQPWSA-N 1 3 310.442 0.300 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892944355 659541657 /nfs/dbraw/zinc/54/16/57/659541657.db2.gz PHUSYDAMDFNUEL-ZNMIVQPWSA-N 1 3 310.442 0.300 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccnn3C)C2)CCC1 ZINC001026884929 659623807 /nfs/dbraw/zinc/62/38/07/659623807.db2.gz DISGQWGDRXBNRA-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999845013 665690631 /nfs/dbraw/zinc/69/06/31/665690631.db2.gz BZLFMLXKQIRODO-BLLLJJGKSA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@H](CNCc2ccn(C)n2)C1)[NH+](C)C ZINC001026900871 659629908 /nfs/dbraw/zinc/62/99/08/659629908.db2.gz FHQQHGVQJRCODQ-ZBFHGGJFSA-N 1 3 321.469 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001026040798 659754820 /nfs/dbraw/zinc/75/48/20/659754820.db2.gz GOMPPSJSWNBVLI-IMSKVBIZSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC001026040798 659754826 /nfs/dbraw/zinc/75/48/26/659754826.db2.gz GOMPPSJSWNBVLI-IMSKVBIZSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001027063113 659758663 /nfs/dbraw/zinc/75/86/63/659758663.db2.gz HRJIIJUQBVVUHE-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)c1 ZINC000999870919 665705062 /nfs/dbraw/zinc/70/50/62/665705062.db2.gz PQXJYSXJYWKBKU-UHFFFAOYSA-N 1 3 318.421 0.426 20 0 DCADHO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000927639644 661466721 /nfs/dbraw/zinc/46/67/21/661466721.db2.gz MUJAVMCJNHPPIK-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO CC[N@H+]1CCCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000927639644 661466722 /nfs/dbraw/zinc/46/67/22/661466722.db2.gz MUJAVMCJNHPPIK-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927639644 661466723 /nfs/dbraw/zinc/46/67/23/661466723.db2.gz MUJAVMCJNHPPIK-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927639644 661466724 /nfs/dbraw/zinc/46/67/24/661466724.db2.gz MUJAVMCJNHPPIK-INIZCTEOSA-N 1 3 324.469 0.977 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001000186652 665767548 /nfs/dbraw/zinc/76/75/48/665767548.db2.gz VMGRLJDILUHYRK-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001000194191 665770493 /nfs/dbraw/zinc/77/04/93/665770493.db2.gz VNKHACHPUVAVAN-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001000193315 665771067 /nfs/dbraw/zinc/77/10/67/665771067.db2.gz OZFPQDYHMFLGGM-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)O)C[C@]2(C)C1)N(C)C ZINC000982561587 661569025 /nfs/dbraw/zinc/56/90/25/661569025.db2.gz VOLHWUDFZVWWLN-NXNVCVFFSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)O)C[C@]2(C)C1)N(C)C ZINC000982561587 661569026 /nfs/dbraw/zinc/56/90/26/661569026.db2.gz VOLHWUDFZVWWLN-NXNVCVFFSA-N 1 3 311.470 0.878 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NCCN2CCC(C)(C)C2)n1 ZINC000890068982 665797995 /nfs/dbraw/zinc/79/79/95/665797995.db2.gz MYOGOEPSZJDMLV-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001028983383 661916570 /nfs/dbraw/zinc/91/65/70/661916570.db2.gz BWMWKCKQOWWZOX-ZFWWWQNUSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001028983383 661916572 /nfs/dbraw/zinc/91/65/72/661916572.db2.gz BWMWKCKQOWWZOX-ZFWWWQNUSA-N 1 3 305.426 0.310 20 0 DCADHO CN1CCC[N@H+](CCCNCc2cn3cccnc3n2)CC1 ZINC000894378531 661942022 /nfs/dbraw/zinc/94/20/22/661942022.db2.gz UOOGHOUMDQZTND-UHFFFAOYSA-N 1 3 302.426 0.847 20 0 DCADHO CN1CCC[N@@H+](CCCNCc2cn3cccnc3n2)CC1 ZINC000894378531 661942026 /nfs/dbraw/zinc/94/20/26/661942026.db2.gz UOOGHOUMDQZTND-UHFFFAOYSA-N 1 3 302.426 0.847 20 0 DCADHO Cn1nccc1CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000311819 665820233 /nfs/dbraw/zinc/82/02/33/665820233.db2.gz KGMJFOSVQNRPHS-ZDUSSCGKSA-N 1 3 316.409 0.509 20 0 DCADHO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000895769624 662214357 /nfs/dbraw/zinc/21/43/57/662214357.db2.gz AGWDMBDAKQHUDC-OAHLLOKOSA-N 1 3 307.438 0.746 20 0 DCADHO C[C@H]1CC[N@H+](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000895849942 662222346 /nfs/dbraw/zinc/22/23/46/662222346.db2.gz BWAJJPYNMWAWJI-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CC[N@@H+](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000895849942 662222349 /nfs/dbraw/zinc/22/23/49/662222349.db2.gz BWAJJPYNMWAWJI-GOEBONIOSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1C[NH+](C2CCOCC2)C1 ZINC000895989910 662233478 /nfs/dbraw/zinc/23/34/78/662233478.db2.gz FBBOCTHUNWVVEH-JKSUJKDBSA-N 1 3 323.437 0.077 20 0 DCADHO C[C@H](C[NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000262397426 662363003 /nfs/dbraw/zinc/36/30/03/662363003.db2.gz PAXJNFKQLFMOAA-CYBMUJFWSA-N 1 3 305.422 0.854 20 0 DCADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000985121010 662370273 /nfs/dbraw/zinc/37/02/73/662370273.db2.gz BAZCKFYBJWIBCP-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1nccnc1CNC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000985121010 662370274 /nfs/dbraw/zinc/37/02/74/662370274.db2.gz BAZCKFYBJWIBCP-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985458271 662454279 /nfs/dbraw/zinc/45/42/79/662454279.db2.gz BGBXORNRURQOGX-HIFRSBDPSA-N 1 3 324.469 0.657 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985458271 662454280 /nfs/dbraw/zinc/45/42/80/662454280.db2.gz BGBXORNRURQOGX-HIFRSBDPSA-N 1 3 324.469 0.657 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000985647966 662495531 /nfs/dbraw/zinc/49/55/31/662495531.db2.gz SLFWZAZBGYMIBG-OLZOCXBDSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000985647966 662495533 /nfs/dbraw/zinc/49/55/33/662495533.db2.gz SLFWZAZBGYMIBG-OLZOCXBDSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000985647964 662495655 /nfs/dbraw/zinc/49/56/55/662495655.db2.gz SLFWZAZBGYMIBG-CHWSQXEVSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000985647964 662495656 /nfs/dbraw/zinc/49/56/56/662495656.db2.gz SLFWZAZBGYMIBG-CHWSQXEVSA-N 1 3 310.442 0.267 20 0 DCADHO C[N@H+](C[C@H]1CCOC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674745 662499257 /nfs/dbraw/zinc/49/92/57/662499257.db2.gz GXCSKZSBTRWCPW-CYBMUJFWSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](C[C@H]1CCOC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674745 662499258 /nfs/dbraw/zinc/49/92/58/662499258.db2.gz GXCSKZSBTRWCPW-CYBMUJFWSA-N 1 3 306.410 0.912 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358013 662583903 /nfs/dbraw/zinc/58/39/03/662583903.db2.gz VNEVCKPNXWBCDQ-DZGCQCFKSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1 ZINC001000594099 665882201 /nfs/dbraw/zinc/88/22/01/665882201.db2.gz UVTLVOSCLDJYLU-AWEZNQCLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCn2cccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987058892 662638839 /nfs/dbraw/zinc/63/88/39/662638839.db2.gz NPZWOCYJKUQVKH-TZMCWYRMSA-N 1 3 302.382 0.428 20 0 DCADHO C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987564696 662687885 /nfs/dbraw/zinc/68/78/85/662687885.db2.gz BRWCZJUEXCZCBO-SWLSCSKDSA-N 1 3 318.421 0.426 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000897460761 662762026 /nfs/dbraw/zinc/76/20/26/662762026.db2.gz VYZRKQIASRWEGR-HUUCEWRRSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000897460761 662762027 /nfs/dbraw/zinc/76/20/27/662762027.db2.gz VYZRKQIASRWEGR-HUUCEWRRSA-N 1 3 312.458 0.474 20 0 DCADHO COC1CCN(CCNC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897486552 662787659 /nfs/dbraw/zinc/78/76/59/662787659.db2.gz QBXPWFSQNLYMNT-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO COC1CCN(CCNC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897486552 662787660 /nfs/dbraw/zinc/78/76/60/662787660.db2.gz QBXPWFSQNLYMNT-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CN(CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000937978154 662847654 /nfs/dbraw/zinc/84/76/54/662847654.db2.gz YWBGZOQBTCXQGT-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000937978154 662847655 /nfs/dbraw/zinc/84/76/55/662847655.db2.gz YWBGZOQBTCXQGT-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000664804 665907038 /nfs/dbraw/zinc/90/70/38/665907038.db2.gz QHZSODISUSPOMD-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000664804 665907041 /nfs/dbraw/zinc/90/70/41/665907041.db2.gz QHZSODISUSPOMD-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]CCn2cccn2)CN1C(=O)CN(C)C1CCC1 ZINC000988956134 662873477 /nfs/dbraw/zinc/87/34/77/662873477.db2.gz OFQMGVCAECXMTB-HUUCEWRRSA-N 1 3 319.453 0.946 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989393207 662909318 /nfs/dbraw/zinc/90/93/18/662909318.db2.gz YSUKALYLENTUCX-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000925321644 662956295 /nfs/dbraw/zinc/95/62/95/662956295.db2.gz AERHKDGRNYVKTR-GDBMZVCRSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@H+]1C ZINC000925321644 662956296 /nfs/dbraw/zinc/95/62/96/662956296.db2.gz AERHKDGRNYVKTR-GDBMZVCRSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@H]1C[C@@H](NCc2cnn(C)c2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683334 662971531 /nfs/dbraw/zinc/97/15/31/662971531.db2.gz PKUQEBUSGBLKTC-DZGCQCFKSA-N 1 3 317.437 0.595 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000990244539 663023011 /nfs/dbraw/zinc/02/30/11/663023011.db2.gz MZGDHLTVGNGIIN-OAHLLOKOSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC000899247413 663133440 /nfs/dbraw/zinc/13/34/40/663133440.db2.gz OTQJNTSFBVRIIJ-XJKSGUPXSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC000899247413 663133442 /nfs/dbraw/zinc/13/34/42/663133442.db2.gz OTQJNTSFBVRIIJ-XJKSGUPXSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](NC(=[NH2+])NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000899265002 663133992 /nfs/dbraw/zinc/13/39/92/663133992.db2.gz PWHBUWWNQRXBIT-OCCSQVGLSA-N 1 3 309.458 0.842 20 0 DCADHO CN(C(=O)C1C[NH+](C2CCOCC2)C1)[C@H]1CN2CCC1CC2 ZINC000900663829 663267558 /nfs/dbraw/zinc/26/75/58/663267558.db2.gz XJHKFUABLKPYAY-INIZCTEOSA-N 1 3 307.438 0.650 20 0 DCADHO CS[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[C@H]1N(C)C ZINC000901231126 663331662 /nfs/dbraw/zinc/33/16/62/663331662.db2.gz USPQZPVJQIAPEN-NFAWXSAZSA-N 1 3 315.483 0.337 20 0 DCADHO CS[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[C@H]1N(C)C ZINC000901231126 663331664 /nfs/dbraw/zinc/33/16/64/663331664.db2.gz USPQZPVJQIAPEN-NFAWXSAZSA-N 1 3 315.483 0.337 20 0 DCADHO CN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@H]2CCC[C@H]21 ZINC000903291002 663452463 /nfs/dbraw/zinc/45/24/63/663452463.db2.gz LOGHMDDQTRLWIT-QLFBSQMISA-N 1 3 315.483 0.874 20 0 DCADHO CN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000903291000 663452550 /nfs/dbraw/zinc/45/25/50/663452550.db2.gz LOGHMDDQTRLWIT-ILXRZTDVSA-N 1 3 315.483 0.874 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491907 663458204 /nfs/dbraw/zinc/45/82/04/663458204.db2.gz FUUYHKUZSRYJOE-SMTWKSNJSA-N 1 3 311.426 0.502 20 0 DCADHO O[C@@H]1CCC[C@@H]1N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903735737 663477905 /nfs/dbraw/zinc/47/79/05/663477905.db2.gz DBLUAQQYWTZVDZ-YESZJQIVSA-N 1 3 323.481 0.676 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903735584 663477932 /nfs/dbraw/zinc/47/79/32/663477932.db2.gz BSDVBXFEDFPJGM-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000903785840 663484758 /nfs/dbraw/zinc/48/47/58/663484758.db2.gz RIRZTCQFRRYSMQ-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO [NH3+][C@H](CC(F)F)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000903891608 663490267 /nfs/dbraw/zinc/49/02/67/663490267.db2.gz MFMAIOUCWKTOBI-GFCCVEGCSA-N 1 3 304.385 0.209 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904326192 663508406 /nfs/dbraw/zinc/50/84/06/663508406.db2.gz FUXIVPMWLYHDDA-NVXWUHKLSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000904484201 663515250 /nfs/dbraw/zinc/51/52/50/663515250.db2.gz DXIRQDKHWPIQBK-WFASDCNBSA-N 1 3 306.414 0.708 20 0 DCADHO [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C(F)(F)F ZINC000904517884 663515651 /nfs/dbraw/zinc/51/56/51/663515651.db2.gz IAZBUOKCQHGMRD-DCAQKATOSA-N 1 3 324.347 0.117 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000941305456 665971290 /nfs/dbraw/zinc/97/12/90/665971290.db2.gz MIKUBBZKXZFTFX-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905055536 663529042 /nfs/dbraw/zinc/52/90/42/663529042.db2.gz PNPUNRKSQVEENJ-CQSZACIVSA-N 1 3 300.443 0.741 20 0 DCADHO O[C@H](C[C@H](O)CNCCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000905341742 663550839 /nfs/dbraw/zinc/55/08/39/663550839.db2.gz RJXWUUWIQWLAQH-ZWKOTPCHSA-N 1 3 322.449 0.907 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909315509 663794905 /nfs/dbraw/zinc/79/49/05/663794905.db2.gz LJGXHSCQPZAQGO-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909315509 663794907 /nfs/dbraw/zinc/79/49/07/663794907.db2.gz LJGXHSCQPZAQGO-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910694739 663925383 /nfs/dbraw/zinc/92/53/83/663925383.db2.gz YGLHWZWCCAKWEV-WMLDXEAASA-N 1 3 324.469 0.195 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910694739 663925384 /nfs/dbraw/zinc/92/53/84/663925384.db2.gz YGLHWZWCCAKWEV-WMLDXEAASA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CCCCC1 ZINC000910947543 663961482 /nfs/dbraw/zinc/96/14/82/663961482.db2.gz ZWLYFHLYJRKWHG-MCIONIFRSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)N1CCCCC1 ZINC000910947082 663961556 /nfs/dbraw/zinc/96/15/56/663961556.db2.gz SFIPLVBDQZHHCQ-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911161534 663995753 /nfs/dbraw/zinc/99/57/53/663995753.db2.gz LMTGSCFDTFOUPX-JKIFEVAISA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911208137 664005365 /nfs/dbraw/zinc/00/53/65/664005365.db2.gz JRGVLZJBCCQXKS-YOEHRIQHSA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911209026 664005428 /nfs/dbraw/zinc/00/54/28/664005428.db2.gz KXTJHRCAZMTBIT-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000911299243 664021992 /nfs/dbraw/zinc/02/19/92/664021992.db2.gz SNZATZKGJYYVJF-QGZVFWFLSA-N 1 3 324.469 0.340 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000911284027 664027036 /nfs/dbraw/zinc/02/70/36/664027036.db2.gz YWLQXUHEVNHGNC-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911325921 664028400 /nfs/dbraw/zinc/02/84/00/664028400.db2.gz XXIQAWNDLCXNOG-NJVJYBDUSA-N 1 3 320.437 0.129 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911333451 664029818 /nfs/dbraw/zinc/02/98/18/664029818.db2.gz TUAJMDCSONIKJP-LXTVHRRPSA-N 1 3 322.453 0.232 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911442845 664053009 /nfs/dbraw/zinc/05/30/09/664053009.db2.gz ZLCANAGDBNRIOF-RHSMWYFYSA-N 1 3 322.453 0.187 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911486317 664063792 /nfs/dbraw/zinc/06/37/92/664063792.db2.gz ANPYZXCHYBJALC-OLZOCXBDSA-N 1 3 310.442 0.078 20 0 DCADHO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)N1CCCCC1 ZINC000911547792 664076504 /nfs/dbraw/zinc/07/65/04/664076504.db2.gz ZLAFKMVXUSNORK-AWEZNQCLSA-N 1 3 324.469 0.829 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC000911663818 664095926 /nfs/dbraw/zinc/09/59/26/664095926.db2.gz HAEKUEJNRAPSHY-JSGCOSHPSA-N 1 3 321.421 0.955 20 0 DCADHO CN(C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2)[C@H]1CC[NH2+]C1 ZINC000911786893 664109380 /nfs/dbraw/zinc/10/93/80/664109380.db2.gz GHKBBZFYLDHEIU-QWHCGFSZSA-N 1 3 302.378 0.333 20 0 DCADHO C[NH+](C)CCN1CCN(C(=O)C(C)(C)N2CCCCC2)CC1=O ZINC000911873564 664118296 /nfs/dbraw/zinc/11/82/96/664118296.db2.gz HJZNHBYCJPHFBS-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)N(C)C ZINC000991479762 664361758 /nfs/dbraw/zinc/36/17/58/664361758.db2.gz PRKDLUITKXUYOO-CABCVRRESA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1)N(C)C ZINC000991479762 664361761 /nfs/dbraw/zinc/36/17/61/664361761.db2.gz PRKDLUITKXUYOO-CABCVRRESA-N 1 3 324.469 0.526 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@@H+]1C ZINC000992309132 664694986 /nfs/dbraw/zinc/69/49/86/664694986.db2.gz GSBVRMWOMFILHR-IUODEOHRSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)CC[N@H+]1C ZINC000992309132 664694987 /nfs/dbraw/zinc/69/49/87/664694987.db2.gz GSBVRMWOMFILHR-IUODEOHRSA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000992411190 664708537 /nfs/dbraw/zinc/70/85/37/664708537.db2.gz ZGYKZSXDXDPEND-UONOGXRCSA-N 1 3 319.409 0.010 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000992411190 664708538 /nfs/dbraw/zinc/70/85/38/664708538.db2.gz ZGYKZSXDXDPEND-UONOGXRCSA-N 1 3 319.409 0.010 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000916113998 665060474 /nfs/dbraw/zinc/06/04/74/665060474.db2.gz YEWZWAKNLJUUFN-OAHLLOKOSA-N 1 3 312.458 0.879 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000916113998 665060476 /nfs/dbraw/zinc/06/04/76/665060476.db2.gz YEWZWAKNLJUUFN-OAHLLOKOSA-N 1 3 312.458 0.879 20 0 DCADHO CC[C@@H](CN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)OC ZINC001031675102 665283159 /nfs/dbraw/zinc/28/31/59/665283159.db2.gz VILINIAWTZWGPT-JKSUJKDBSA-N 1 3 309.454 0.801 20 0 DCADHO C[C@@H](CNC(=S)NCCC[NH+](C)C)CN1CCN(C)CC1 ZINC000920993264 665285503 /nfs/dbraw/zinc/28/55/03/665285503.db2.gz DDWOCZANGMBWNE-AWEZNQCLSA-N 1 3 315.531 0.286 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567637 666020403 /nfs/dbraw/zinc/02/04/03/666020403.db2.gz ZQUHXDNMYRKNJF-WBVHZDCISA-N 1 3 322.497 0.813 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941567637 666020404 /nfs/dbraw/zinc/02/04/04/666020404.db2.gz ZQUHXDNMYRKNJF-WBVHZDCISA-N 1 3 322.497 0.813 20 0 DCADHO CC[NH+]1CCC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001001647892 666082176 /nfs/dbraw/zinc/08/21/76/666082176.db2.gz ZJYYFRSHLGEHIU-ISXOHVOVSA-N 1 3 307.438 0.698 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276574 666658603 /nfs/dbraw/zinc/65/86/03/666658603.db2.gz DBAUXZFRDSIYCJ-KRIMKBQASA-N 1 3 307.438 0.791 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276574 666658605 /nfs/dbraw/zinc/65/86/05/666658605.db2.gz DBAUXZFRDSIYCJ-KRIMKBQASA-N 1 3 307.438 0.791 20 0 DCADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033279192 666659823 /nfs/dbraw/zinc/65/98/23/666659823.db2.gz UFIDTJWWVIJWLT-GARNVTTQSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033279192 666659824 /nfs/dbraw/zinc/65/98/24/666659824.db2.gz UFIDTJWWVIJWLT-GARNVTTQSA-N 1 3 319.449 0.792 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946800882 666668630 /nfs/dbraw/zinc/66/86/30/666668630.db2.gz PKNMLOUTJJYKRI-OKILXGFUSA-N 1 3 306.410 0.505 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946800882 666668632 /nfs/dbraw/zinc/66/86/32/666668632.db2.gz PKNMLOUTJJYKRI-OKILXGFUSA-N 1 3 306.410 0.505 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)N2CCC2)C(C)(C)C1)N(C)C ZINC000995946073 666722894 /nfs/dbraw/zinc/72/28/94/666722894.db2.gz FXJXUOHYJNJBRC-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CCN(CCO)C1 ZINC001033570524 666763471 /nfs/dbraw/zinc/76/34/71/666763471.db2.gz BIEZXDVPDQHHAG-INIZCTEOSA-N 1 3 309.454 0.633 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC000996340638 666772891 /nfs/dbraw/zinc/77/28/91/666772891.db2.gz LRAZIHOXBYWEHP-AWEZNQCLSA-N 1 3 322.453 0.282 20 0 DCADHO Cn1cc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996610047 666836716 /nfs/dbraw/zinc/83/67/16/666836716.db2.gz JEMKODFYZODPTG-CABCVRRESA-N 1 3 319.453 0.698 20 0 DCADHO Cn1cc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996610047 666836719 /nfs/dbraw/zinc/83/67/19/666836719.db2.gz JEMKODFYZODPTG-CABCVRRESA-N 1 3 319.453 0.698 20 0 DCADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC)C1 ZINC001033905279 666863789 /nfs/dbraw/zinc/86/37/89/666863789.db2.gz KEOBAUJGTIRCBC-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC)C1 ZINC001033905279 666863792 /nfs/dbraw/zinc/86/37/92/666863792.db2.gz KEOBAUJGTIRCBC-GYMHETDLSA-N 1 3 307.438 0.792 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861708531 666961741 /nfs/dbraw/zinc/96/17/41/666961741.db2.gz AFRIZSFFLIPAOY-HZPDHXFCSA-N 1 3 309.454 0.920 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1CCCCC1 ZINC000861728152 666967291 /nfs/dbraw/zinc/96/72/91/666967291.db2.gz CVUSGGBZZFGLMG-RDBSUJKOSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1)N(C)C ZINC000996980259 667051190 /nfs/dbraw/zinc/05/11/90/667051190.db2.gz XAQASQIUJZFYJS-LSDHHAIUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC000997003398 667066818 /nfs/dbraw/zinc/06/68/18/667066818.db2.gz BEXGWLNSXLSWAX-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H](C(=O)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1)N(C)C ZINC001034572625 667069086 /nfs/dbraw/zinc/06/90/86/667069086.db2.gz XVSGJLGXCONPSK-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1)N(C)C ZINC000997008671 667071869 /nfs/dbraw/zinc/07/18/69/667071869.db2.gz DKZOEFSYAXIQHH-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C1=O)C1CCC1 ZINC001034957765 667198307 /nfs/dbraw/zinc/19/83/07/667198307.db2.gz IJEJGYKIYSDNDH-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C)C1CCC1 ZINC001034957635 667198399 /nfs/dbraw/zinc/19/83/99/667198399.db2.gz DGEQLUXPPNYZTI-MRXNPFEDSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1)C1CC1 ZINC001034959070 667199314 /nfs/dbraw/zinc/19/93/14/667199314.db2.gz QIWOWGMOUFOFGI-CVEARBPZSA-N 1 3 319.453 0.841 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001035039412 667223446 /nfs/dbraw/zinc/22/34/46/667223446.db2.gz AOFYOZMGMYLHBZ-QLFBSQMISA-N 1 3 324.469 0.432 20 0 DCADHO Cc1nccnc1CNC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997298585 667240211 /nfs/dbraw/zinc/24/02/11/667240211.db2.gz KCVJVEYBBOBIDK-CQSZACIVSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1nccnc1CNC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997298585 667240213 /nfs/dbraw/zinc/24/02/13/667240213.db2.gz KCVJVEYBBOBIDK-CQSZACIVSA-N 1 3 317.437 0.817 20 0 DCADHO CN1CCC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001035126350 667251641 /nfs/dbraw/zinc/25/16/41/667251641.db2.gz ZADTURZCJVFAKD-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035258069 667277394 /nfs/dbraw/zinc/27/73/94/667277394.db2.gz DYDQUOMNENRTJY-UONOGXRCSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035258069 667277395 /nfs/dbraw/zinc/27/73/95/667277395.db2.gz DYDQUOMNENRTJY-UONOGXRCSA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035724115 667404089 /nfs/dbraw/zinc/40/40/89/667404089.db2.gz QQCLFKDXLOEECY-CQSZACIVSA-N 1 3 309.454 0.776 20 0 DCADHO O=C(N[C@@H]1CCN(C2CC2)C1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884202014 667497197 /nfs/dbraw/zinc/49/71/97/667497197.db2.gz OFOUHFAPJVNLAF-CQSZACIVSA-N 1 3 315.421 0.458 20 0 DCADHO Cc1nc(CN(C)[C@H]2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)no1 ZINC000923328402 667505998 /nfs/dbraw/zinc/50/59/98/667505998.db2.gz ZLXTWWFPOSDPON-UONOGXRCSA-N 1 3 321.425 0.263 20 0 DCADHO COc1cc(Br)c(CNC(CN)C[NH3+])cc1OC ZINC000923350968 667513510 /nfs/dbraw/zinc/51/35/10/667513510.db2.gz GGZKEVKBBYNCKK-UHFFFAOYSA-N 1 3 318.215 0.842 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000884340987 667528107 /nfs/dbraw/zinc/52/81/07/667528107.db2.gz QWUYNAVUVDMIBS-OLZOCXBDSA-N 1 3 306.414 0.146 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@H]21 ZINC000868214986 667542606 /nfs/dbraw/zinc/54/26/06/667542606.db2.gz AAIYKLHEGUTIHQ-KLHDSHLOSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC[C@H]21 ZINC000868214986 667542610 /nfs/dbraw/zinc/54/26/10/667542610.db2.gz AAIYKLHEGUTIHQ-KLHDSHLOSA-N 1 3 322.453 0.585 20 0 DCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N(C)C ZINC000868230083 667545637 /nfs/dbraw/zinc/54/56/37/667545637.db2.gz YTVSUKVOCXPLSW-LEWSCRJBSA-N 1 3 304.394 0.506 20 0 DCADHO C[C@H]1CN(CC(=O)NCCCN2CCCC2=O)CC[C@H]1C[NH3+] ZINC000923503475 667551597 /nfs/dbraw/zinc/55/15/97/667551597.db2.gz IYHLSUBBSKGADQ-KBPBESRZSA-N 1 3 310.442 0.032 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868281513 667551901 /nfs/dbraw/zinc/55/19/01/667551901.db2.gz QARMSDWCYOHCMT-ARFHVFGLSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868281513 667551904 /nfs/dbraw/zinc/55/19/04/667551904.db2.gz QARMSDWCYOHCMT-ARFHVFGLSA-N 1 3 324.469 0.833 20 0 DCADHO CCN(C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884502460 667557601 /nfs/dbraw/zinc/55/76/01/667557601.db2.gz KNJSZQPVOUDIPW-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868359195 667559911 /nfs/dbraw/zinc/55/99/11/667559911.db2.gz VTKQJSFXGGDVMX-INIZCTEOSA-N 1 3 312.458 0.230 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000868364552 667561273 /nfs/dbraw/zinc/56/12/73/667561273.db2.gz HFSMRWJRCPTUFT-UHFFFAOYSA-N 1 3 323.485 0.502 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000868364552 667561275 /nfs/dbraw/zinc/56/12/75/667561275.db2.gz HFSMRWJRCPTUFT-UHFFFAOYSA-N 1 3 323.485 0.502 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868406536 667567160 /nfs/dbraw/zinc/56/71/60/667567160.db2.gz OFDISOXTXRBLOQ-QWHCGFSZSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000923589992 667573993 /nfs/dbraw/zinc/57/39/93/667573993.db2.gz OKEKZQJUJZHDAQ-HZSPNIEDSA-N 1 3 303.472 0.778 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884658974 667584274 /nfs/dbraw/zinc/58/42/74/667584274.db2.gz DZDKLQYVJKXUHG-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCNCCC12CCC2 ZINC000884658974 667584277 /nfs/dbraw/zinc/58/42/77/667584277.db2.gz DZDKLQYVJKXUHG-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CCC1(C)C ZINC000884675127 667587137 /nfs/dbraw/zinc/58/71/37/667587137.db2.gz SJJTUWPKDUYVLP-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884922765 667623713 /nfs/dbraw/zinc/62/37/13/667623713.db2.gz DXCZIKYCQAKXMW-HDJSIYSDSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000745802338 667855912 /nfs/dbraw/zinc/85/59/12/667855912.db2.gz KSJMEUKKRWVJPJ-TUVASFSCSA-N 1 3 310.442 0.632 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000745802338 667855914 /nfs/dbraw/zinc/85/59/14/667855914.db2.gz KSJMEUKKRWVJPJ-TUVASFSCSA-N 1 3 310.442 0.632 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872146676 667868408 /nfs/dbraw/zinc/86/84/08/667868408.db2.gz USOMSJGAWJXMEZ-APIJFGDWSA-N 1 3 321.421 0.813 20 0 DCADHO COCCN1CC[C@@H](NC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000747557203 667906839 /nfs/dbraw/zinc/90/68/39/667906839.db2.gz LRCHACQDQSOATO-CYBMUJFWSA-N 1 3 324.429 0.287 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@@H+]1C ZINC000889748436 667987472 /nfs/dbraw/zinc/98/74/72/667987472.db2.gz FRHKGESGPHXWOY-ZJIFWQFVSA-N 1 3 309.454 0.774 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC[N@H+]1C ZINC000889748436 667987474 /nfs/dbraw/zinc/98/74/74/667987474.db2.gz FRHKGESGPHXWOY-ZJIFWQFVSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H](C[N@H+](C)Cc1ccccc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924772610 668236973 /nfs/dbraw/zinc/23/69/73/668236973.db2.gz ZQXLBUSFNBEXCJ-DZGCQCFKSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@@H](C[N@@H+](C)Cc1ccccc1)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924772610 668236977 /nfs/dbraw/zinc/23/69/77/668236977.db2.gz ZQXLBUSFNBEXCJ-DZGCQCFKSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(CCN3CCOCC3)C1)[NH2+]2 ZINC000925499343 668325366 /nfs/dbraw/zinc/32/53/66/668325366.db2.gz XTJOYVRLNIUHMS-ILOCAZANSA-N 1 3 322.497 0.512 20 0 DCADHO CN1CCN(C(=O)CN[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925615634 668337187 /nfs/dbraw/zinc/33/71/87/668337187.db2.gz GXJXPWBGJCZAPO-INIZCTEOSA-N 1 3 304.438 0.830 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000875583030 668342098 /nfs/dbraw/zinc/34/20/98/668342098.db2.gz XKCAURYMJXETCR-AWEZNQCLSA-N 1 3 311.474 0.358 20 0 DCADHO CN(C)S(=O)(=O)C1(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925776069 668347742 /nfs/dbraw/zinc/34/77/42/668347742.db2.gz VIRHEOVXQFRPBJ-RYUDHWBXSA-N 1 3 303.472 0.906 20 0 DCADHO C(CN1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1)N1CCOCC1 ZINC000925767759 668347199 /nfs/dbraw/zinc/34/71/99/668347199.db2.gz HJWDDJYMILDTFV-DLBZAZTESA-N 1 3 310.486 0.515 20 0 DCADHO C1CC1[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)[C@@H]1CNCCO1 ZINC000925801722 668350602 /nfs/dbraw/zinc/35/06/02/668350602.db2.gz YMLIHWCYYGPIGE-JYJNAYRXSA-N 1 3 309.454 0.502 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)c2c(C[NH3+])cnn2C)C[C@H](C)O1 ZINC000876730622 668497488 /nfs/dbraw/zinc/49/74/88/668497488.db2.gz IBAWSOCQWFKMHG-STQMWFEESA-N 1 3 323.441 0.498 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000876731020 668498084 /nfs/dbraw/zinc/49/80/84/668498084.db2.gz MSGZHVKNXANUKZ-LXTVHRRPSA-N 1 3 315.433 0.940 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876756950 668503236 /nfs/dbraw/zinc/50/32/36/668503236.db2.gz BGNDZNSCQMTCSM-GXTWGEPZSA-N 1 3 315.433 0.940 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876780909 668509771 /nfs/dbraw/zinc/50/97/71/668509771.db2.gz JMZIMCPMFWTMKQ-RDBSUJKOSA-N 1 3 300.422 0.076 20 0 DCADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901094 668531275 /nfs/dbraw/zinc/53/12/75/668531275.db2.gz YTURWYRASFGLBC-OIISXLGYSA-N 1 3 318.465 0.902 20 0 DCADHO C[C@@H](NC(=O)[C@@H](N)CN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901094 668531278 /nfs/dbraw/zinc/53/12/78/668531278.db2.gz YTURWYRASFGLBC-OIISXLGYSA-N 1 3 318.465 0.902 20 0 DCADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000876973557 668546024 /nfs/dbraw/zinc/54/60/24/668546024.db2.gz KBCYMAZDHNRFND-BVWQNDCPSA-N 1 3 307.438 0.912 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877338572 668604994 /nfs/dbraw/zinc/60/49/94/668604994.db2.gz HXQBVQPYFFJTST-HOTGVXAUSA-N 1 3 317.433 0.831 20 0 DCADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1Cc2ccccc2CN1 ZINC000877346732 668606167 /nfs/dbraw/zinc/60/61/67/668606167.db2.gz HAFHRRBZMFCHAF-HZPDHXFCSA-N 1 3 303.406 0.586 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371023 668610322 /nfs/dbraw/zinc/61/03/22/668610322.db2.gz JVSLSRRFFGLKHG-LZLYRXPVSA-N 1 3 316.449 0.514 20 0 DCADHO [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)C1CNC1 ZINC000923674670 668732812 /nfs/dbraw/zinc/73/28/12/668732812.db2.gz UDVNOPWGOSGVOT-UHFFFAOYSA-N 1 3 303.815 0.402 20 0 DCADHO COCC[N@H+](C)C[C@@H](O)CN1CCC2(CCCCO2)CC1 ZINC000880457321 669213487 /nfs/dbraw/zinc/21/34/87/669213487.db2.gz HMBWQBIPIXXACS-OAHLLOKOSA-N 1 3 300.443 0.961 20 0 DCADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC2(CCCCO2)CC1 ZINC000880457321 669213492 /nfs/dbraw/zinc/21/34/92/669213492.db2.gz HMBWQBIPIXXACS-OAHLLOKOSA-N 1 3 300.443 0.961 20 0 DCADHO O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N(CCO)CCNCCF ZINC001754893825 1157885456 /nfs/dbraw/zinc/88/54/56/1157885456.db2.gz JUKMFTDLHOBKDZ-KGLIPLIRSA-N 1 3 301.406 0.383 20 0 DCADHO CC(C)(C)[NH2+]CCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000931539612 669219215 /nfs/dbraw/zinc/21/92/15/669219215.db2.gz SWJCLAVKQAQSFB-AWEZNQCLSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000881024371 669287442 /nfs/dbraw/zinc/28/74/42/669287442.db2.gz ZGLXNFKFSDDWEB-IUODEOHRSA-N 1 3 316.409 0.717 20 0 DCADHO C[NH+](C)C[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@H]1C[NH+](C)C ZINC000881020265 669287475 /nfs/dbraw/zinc/28/74/75/669287475.db2.gz KHGOPITXQSZCPX-CHWSQXEVSA-N 1 3 321.421 0.909 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952151479 670448838 /nfs/dbraw/zinc/44/88/38/670448838.db2.gz LSQORWDQXFYRLV-OLZOCXBDSA-N 1 3 319.409 0.011 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000952151479 670448839 /nfs/dbraw/zinc/44/88/39/670448839.db2.gz LSQORWDQXFYRLV-OLZOCXBDSA-N 1 3 319.409 0.011 20 0 DCADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)CCN1CCOCC1 ZINC000811543056 670533612 /nfs/dbraw/zinc/53/36/12/670533612.db2.gz OIRZHRFCXOCLRU-UHFFFAOYSA-N 1 3 314.474 0.051 20 0 DCADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CCN1CCOCC1 ZINC000811543056 670533615 /nfs/dbraw/zinc/53/36/15/670533615.db2.gz OIRZHRFCXOCLRU-UHFFFAOYSA-N 1 3 314.474 0.051 20 0 DCADHO CN(CCCN(C)C(=O)CCN1CCOCC1)CC[NH+](C)C ZINC000811543056 670533619 /nfs/dbraw/zinc/53/36/19/670533619.db2.gz OIRZHRFCXOCLRU-UHFFFAOYSA-N 1 3 314.474 0.051 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000811874659 670553423 /nfs/dbraw/zinc/55/34/23/670553423.db2.gz FFMWEJKOONKSIX-KFWWJZLASA-N 1 3 312.458 0.878 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000811874659 670553426 /nfs/dbraw/zinc/55/34/26/670553426.db2.gz FFMWEJKOONKSIX-KFWWJZLASA-N 1 3 312.458 0.878 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1cnn(C)c1 ZINC000855346048 670700120 /nfs/dbraw/zinc/70/01/20/670700120.db2.gz MPCGZGKNWFELHD-DANTVBBOSA-N 1 3 307.442 0.822 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1cnn(C)c1 ZINC000855346048 670700127 /nfs/dbraw/zinc/70/01/27/670700127.db2.gz MPCGZGKNWFELHD-DANTVBBOSA-N 1 3 307.442 0.822 20 0 DCADHO COc1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000855346095 670700310 /nfs/dbraw/zinc/70/03/10/670700310.db2.gz ODSVVLAVPWFARW-LBPRGKRZSA-N 1 3 309.414 0.487 20 0 DCADHO COc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000855346095 670700315 /nfs/dbraw/zinc/70/03/15/670700315.db2.gz ODSVVLAVPWFARW-LBPRGKRZSA-N 1 3 309.414 0.487 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CSC(=O)N1 ZINC000855346372 670700357 /nfs/dbraw/zinc/70/03/57/670700357.db2.gz YZYLTTPSFLNBQC-WDEREUQCSA-N 1 3 302.444 0.200 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CSC(=O)N1 ZINC000855346372 670700360 /nfs/dbraw/zinc/70/03/60/670700360.db2.gz YZYLTTPSFLNBQC-WDEREUQCSA-N 1 3 302.444 0.200 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000848994476 670747220 /nfs/dbraw/zinc/74/72/20/670747220.db2.gz LAKOSSBCRKSHPA-GJZGRUSLSA-N 1 3 311.474 0.505 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000817988386 670959389 /nfs/dbraw/zinc/95/93/89/670959389.db2.gz JICUJAFAVZGGAZ-WMLDXEAASA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CN1Cc1ccccc1 ZINC000852869378 671180422 /nfs/dbraw/zinc/18/04/22/671180422.db2.gz DSQHNCJCARLHAM-BPLDGKMQSA-N 1 3 316.405 0.869 20 0 DCADHO CN(C)CCn1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)ccc1=O ZINC000821318528 671270744 /nfs/dbraw/zinc/27/07/44/671270744.db2.gz BRIJYEUQWKQUFZ-CYBMUJFWSA-N 1 3 306.410 0.690 20 0 DCADHO CN(C)CCn1cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)ccc1=O ZINC000821318528 671270747 /nfs/dbraw/zinc/27/07/47/671270747.db2.gz BRIJYEUQWKQUFZ-CYBMUJFWSA-N 1 3 306.410 0.690 20 0 DCADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790259 671955093 /nfs/dbraw/zinc/95/50/93/671955093.db2.gz BETWEPTZBUHIGI-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000841790259 671955095 /nfs/dbraw/zinc/95/50/95/671955095.db2.gz BETWEPTZBUHIGI-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841790296 671955588 /nfs/dbraw/zinc/95/55/88/671955588.db2.gz CEHSNWAZCIJIPB-INMHGKMJSA-N 1 3 322.453 0.635 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841791525 671956382 /nfs/dbraw/zinc/95/63/82/671956382.db2.gz YWSUIHHTCNMBIW-QJPTWQEYSA-N 1 3 318.368 0.146 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCCCC1 ZINC000842015418 671973989 /nfs/dbraw/zinc/97/39/89/671973989.db2.gz LBLSSPXXWXACBF-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N(C)C2CCC([NH3+])CC2)CC1 ZINC000842174615 671989391 /nfs/dbraw/zinc/98/93/91/671989391.db2.gz HRZGEYDDQWZLLW-UHFFFAOYSA-N 1 3 324.469 0.563 20 0 DCADHO [NH3+]CCCCCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000843260248 672076310 /nfs/dbraw/zinc/07/63/10/672076310.db2.gz CMJUTPVXGAPSKR-OAHLLOKOSA-N 1 3 324.469 0.709 20 0 DCADHO COCCS(=O)(=O)CCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388951 672090152 /nfs/dbraw/zinc/09/01/52/672090152.db2.gz YZVPUDFKYIUNPW-GJZGRUSLSA-N 1 3 318.483 0.759 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000844192541 672161574 /nfs/dbraw/zinc/16/15/74/672161574.db2.gz XDMUQEYNZKTYER-CYBMUJFWSA-N 1 3 303.410 0.899 20 0 DCADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CNCc2ccccc21 ZINC000390129494 685259446 /nfs/dbraw/zinc/25/94/46/685259446.db2.gz BMHNIYIVKYRGKL-ZMSDIMECSA-N 1 3 315.417 0.853 20 0 DCADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CNCc2ccccc21 ZINC000390129494 685259448 /nfs/dbraw/zinc/25/94/48/685259448.db2.gz BMHNIYIVKYRGKL-ZMSDIMECSA-N 1 3 315.417 0.853 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000390129494 685259450 /nfs/dbraw/zinc/25/94/50/685259450.db2.gz BMHNIYIVKYRGKL-ZMSDIMECSA-N 1 3 315.417 0.853 20 0 DCADHO COC(=O)Cn1cc(CNC2CCC(C)([NH+](C)C)CC2)nn1 ZINC000865764970 685379619 /nfs/dbraw/zinc/37/96/19/685379619.db2.gz GIGZEHQEPZIJBB-UHFFFAOYSA-N 1 3 309.414 0.804 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954661416 686092199 /nfs/dbraw/zinc/09/21/99/686092199.db2.gz MSUPXDLOCVRBGP-HNNXBMFYSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCO)C1 ZINC000960305166 688346953 /nfs/dbraw/zinc/34/69/53/688346953.db2.gz UGYHPMIVFOZUQJ-FDQGKXFDSA-N 1 3 317.433 0.692 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000960753603 688450112 /nfs/dbraw/zinc/45/01/12/688450112.db2.gz FSUNLMWBCSBTGO-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000960753603 688450113 /nfs/dbraw/zinc/45/01/13/688450113.db2.gz FSUNLMWBCSBTGO-KRIMKBQASA-N 1 3 307.438 0.792 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962310619 688880449 /nfs/dbraw/zinc/88/04/49/688880449.db2.gz ZXRJRXJYLNKYMM-HIFPTAJRSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962310619 688880454 /nfs/dbraw/zinc/88/04/54/688880454.db2.gz ZXRJRXJYLNKYMM-HIFPTAJRSA-N 1 3 323.466 0.864 20 0 DCADHO O=C(NC[C@H]1CCN1CC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001038925744 694242747 /nfs/dbraw/zinc/24/27/47/694242747.db2.gz KVTQESZMUCPFRQ-CABCVRRESA-N 1 3 307.438 0.842 20 0 DCADHO O=C(NC[C@@H]1CCN1CC[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001038926931 694243094 /nfs/dbraw/zinc/24/30/94/694243094.db2.gz SOXRNFKXJRIZKC-CABCVRRESA-N 1 3 307.438 0.699 20 0 DCADHO C[C@H]([NH2+]C1CC2(CC(NC(=O)CN3CCC[C@H]3C)C2)C1)C(N)=O ZINC000965061212 689347204 /nfs/dbraw/zinc/34/72/04/689347204.db2.gz ANECQEPWZWUTJY-JPTAGCNVSA-N 1 3 322.453 0.362 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160732 694314798 /nfs/dbraw/zinc/31/47/98/694314798.db2.gz DNUGEWZSWRKTOC-DZGCQCFKSA-N 1 3 320.437 0.894 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160732 694314803 /nfs/dbraw/zinc/31/48/03/694314803.db2.gz DNUGEWZSWRKTOC-DZGCQCFKSA-N 1 3 320.437 0.894 20 0 DCADHO Cn1nccc1CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967924001 690123345 /nfs/dbraw/zinc/12/33/45/690123345.db2.gz DNXZCCXXYLJCBL-UKRRQHHQSA-N 1 3 305.426 0.247 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000967925331 690124173 /nfs/dbraw/zinc/12/41/73/690124173.db2.gz NWODMSGTMONIJO-SJORKVTESA-N 1 3 317.433 0.964 20 0 DCADHO CC(C)(C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1)[NH+]1CCCCC1 ZINC000968672507 690362495 /nfs/dbraw/zinc/36/24/95/690362495.db2.gz GCQZCJWOAQHRBO-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC001007497983 690689591 /nfs/dbraw/zinc/68/95/91/690689591.db2.gz XNNNQHFHDBDELM-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC001007497983 690689593 /nfs/dbraw/zinc/68/95/93/690689593.db2.gz XNNNQHFHDBDELM-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCN(CCCF)C2)n1 ZINC001014466051 692025470 /nfs/dbraw/zinc/02/54/70/692025470.db2.gz ARCRFWMLYXRZCT-ZDUSSCGKSA-N 1 3 311.405 0.608 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015323016 692263443 /nfs/dbraw/zinc/26/34/43/692263443.db2.gz GXCANVRQEJVMNY-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001015323016 692263446 /nfs/dbraw/zinc/26/34/46/692263446.db2.gz GXCANVRQEJVMNY-BNQMIIOLSA-N 1 3 319.449 0.840 20 0 DCADHO C[N@H+](C[C@H]1CCCN(C(=O)CN2CCCC2)C1)[C@@H]1CCNC1=O ZINC001017259409 692875912 /nfs/dbraw/zinc/87/59/12/692875912.db2.gz DWRSYGYIFZSEKF-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN2CCCC2)C1)[C@@H]1CCNC1=O ZINC001017259409 692875918 /nfs/dbraw/zinc/87/59/18/692875918.db2.gz DWRSYGYIFZSEKF-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CCn1cc(CC[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001018634553 693170348 /nfs/dbraw/zinc/17/03/48/693170348.db2.gz KNWDWRAQPMMKHO-HOTGVXAUSA-N 1 3 319.453 0.730 20 0 DCADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCn2cccn2)C1)C1CC1 ZINC001018966649 693300316 /nfs/dbraw/zinc/30/03/16/693300316.db2.gz OWIPAWKVXPIMDU-GJZGRUSLSA-N 1 3 305.426 0.414 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001019032264 693330463 /nfs/dbraw/zinc/33/04/63/693330463.db2.gz NQRJVQOMEWWPTD-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1)[NH+](C)C ZINC001019339181 693438403 /nfs/dbraw/zinc/43/84/03/693438403.db2.gz TVOMZMCBLIHTGH-GOEBONIOSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019382647 693456039 /nfs/dbraw/zinc/45/60/39/693456039.db2.gz FSLCFVPBQKPGCD-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019382647 693456044 /nfs/dbraw/zinc/45/60/44/693456044.db2.gz FSLCFVPBQKPGCD-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020143762 693713425 /nfs/dbraw/zinc/71/34/25/693713425.db2.gz DIAWGPMUXUHWPJ-KKUMJFAQSA-N 1 3 320.441 0.388 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020145341 693714024 /nfs/dbraw/zinc/71/40/24/693714024.db2.gz MHJCAWXGGJMLQJ-UMVBOHGHSA-N 1 3 320.441 0.425 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020145341 693714026 /nfs/dbraw/zinc/71/40/26/693714026.db2.gz MHJCAWXGGJMLQJ-UMVBOHGHSA-N 1 3 320.441 0.425 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001020156706 693716185 /nfs/dbraw/zinc/71/61/85/693716185.db2.gz XCYSHGPZLGTHFB-MGPQQGTHSA-N 1 3 324.469 0.752 20 0 DCADHO CCN1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816015 694785421 /nfs/dbraw/zinc/78/54/21/694785421.db2.gz RUGYVEQAANOBGE-HNNXBMFYSA-N 1 3 323.441 0.285 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)[C@H]1CCCN1C ZINC001074563088 694908023 /nfs/dbraw/zinc/90/80/23/694908023.db2.gz VXJIZJKTFLVCKT-AEGPPILISA-N 1 3 305.426 0.593 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCc2cnn(C)c2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074564879 694908283 /nfs/dbraw/zinc/90/82/83/694908283.db2.gz IDJMZLOYIYKMCD-BPUTZDHNSA-N 1 3 319.453 0.636 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001075154835 694940130 /nfs/dbraw/zinc/94/01/30/694940130.db2.gz BWJIUXDOGOIWDC-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076628324 695033492 /nfs/dbraw/zinc/03/34/92/695033492.db2.gz IIBNPDGPKIUIRK-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076628324 695033493 /nfs/dbraw/zinc/03/34/93/695033493.db2.gz IIBNPDGPKIUIRK-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001571163721 1162677843 /nfs/dbraw/zinc/67/78/43/1162677843.db2.gz YHFIMCXZPGZJBJ-KKUMJFAQSA-N 1 3 307.442 0.708 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001571580188 1162823190 /nfs/dbraw/zinc/82/31/90/1162823190.db2.gz KUUCFBNCYYZSQH-CYBMUJFWSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCO)C1CC1)N1CCCCC1 ZINC001670556437 1157461878 /nfs/dbraw/zinc/46/18/78/1157461878.db2.gz LVYUFLFRKTWTHF-JKSUJKDBSA-N 1 3 311.470 0.974 20 0 DCADHO CN(CC[NH2+]C[C@H]1CCc2ncnn21)C(=O)CN(C)C1CCC1 ZINC001691347812 1157648784 /nfs/dbraw/zinc/64/87/84/1157648784.db2.gz LFACFEISKISQHQ-CQSZACIVSA-N 1 3 320.441 0.298 20 0 DCADHO O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N(CCO)CCNCCF ZINC001754893825 1157885453 /nfs/dbraw/zinc/88/54/53/1157885453.db2.gz JUKMFTDLHOBKDZ-KGLIPLIRSA-N 1 3 301.406 0.383 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCC(=O)N2CCC2)CC1 ZINC001691538335 1158324079 /nfs/dbraw/zinc/32/40/79/1158324079.db2.gz NNPDHNILCJKDPB-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[NH2+]C[C@H](O)Cc1ccccc1)C(=O)CN1CCCC1 ZINC001691602808 1158353030 /nfs/dbraw/zinc/35/30/30/1158353030.db2.gz GRAFRCCZUVSTDT-QGZVFWFLSA-N 1 3 319.449 0.734 20 0 DCADHO O=C(NCC[NH2+]C1CCN(CC2CC2)CC1)N1CCOCC1 ZINC001168356743 1158366016 /nfs/dbraw/zinc/36/60/16/1158366016.db2.gz VNZIOZOCSXGCTK-UHFFFAOYSA-N 1 3 310.442 0.492 20 0 DCADHO O=C(NC[C@H]1CNCCO1)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001649006799 1158412380 /nfs/dbraw/zinc/41/23/80/1158412380.db2.gz CUUKGQWBSGGBPB-BZUAXINKSA-N 1 3 303.406 0.169 20 0 DCADHO O=C(NCC[C@@H]1CSCC[NH2+]1)c1ccc2c(c1)OCCNC2 ZINC001649009737 1158434090 /nfs/dbraw/zinc/43/40/90/1158434090.db2.gz AVCMTFQNMSTFFS-CQSZACIVSA-N 1 3 321.446 0.994 20 0 DCADHO COCCC1(NC(=O)c2cc3n(n2)CCC[C@H]3N)CC[NH2+]CC1 ZINC001649049411 1158623822 /nfs/dbraw/zinc/62/38/22/1158623822.db2.gz NZIHPBWQSMPSFZ-GFCCVEGCSA-N 1 3 321.425 0.565 20 0 DCADHO O=C([C@H]1CSCN1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001649062438 1158628784 /nfs/dbraw/zinc/62/87/84/1158628784.db2.gz MSZHGQPCMOZZIU-HZSPNIEDSA-N 1 3 310.467 0.076 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000339757388 1158855617 /nfs/dbraw/zinc/85/56/17/1158855617.db2.gz RJAJSXGYEFWZGJ-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)NC1CC1 ZINC001691743795 1159027813 /nfs/dbraw/zinc/02/78/13/1159027813.db2.gz DRXPFGVRAGZISI-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)CC(=O)NC1CC1 ZINC001691743795 1159027821 /nfs/dbraw/zinc/02/78/21/1159027821.db2.gz DRXPFGVRAGZISI-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001439040467 1159278303 /nfs/dbraw/zinc/27/83/03/1159278303.db2.gz AONVXKVDUSXNPM-STQMWFEESA-N 1 3 324.425 0.142 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001445957421 1159324580 /nfs/dbraw/zinc/32/45/80/1159324580.db2.gz UYHIUXZBLUABPZ-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1C ZINC001446143186 1159349783 /nfs/dbraw/zinc/34/97/83/1159349783.db2.gz YYDRIWWZOWTIEF-ILXRZTDVSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1C ZINC001446143186 1159349791 /nfs/dbraw/zinc/34/97/91/1159349791.db2.gz YYDRIWWZOWTIEF-ILXRZTDVSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001447207385 1159599429 /nfs/dbraw/zinc/59/94/29/1159599429.db2.gz QQBQICQKTSAIPU-CYBMUJFWSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001447207385 1159599434 /nfs/dbraw/zinc/59/94/34/1159599434.db2.gz QQBQICQKTSAIPU-CYBMUJFWSA-N 1 3 310.442 0.234 20 0 DCADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001567571155 1160425178 /nfs/dbraw/zinc/42/51/78/1160425178.db2.gz OTSANWHRRNQHDV-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2cnnn2C)CC[N@@H+]1C ZINC001568633576 1160715067 /nfs/dbraw/zinc/71/50/67/1160715067.db2.gz INAYKJBCFVCVJH-AEGPPILISA-N 1 3 322.457 0.530 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCNCc2cnnn2C)CC[N@H+]1C ZINC001568633576 1160715071 /nfs/dbraw/zinc/71/50/71/1160715071.db2.gz INAYKJBCFVCVJH-AEGPPILISA-N 1 3 322.457 0.530 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001568858361 1160821379 /nfs/dbraw/zinc/82/13/79/1160821379.db2.gz LYLOPIMAFFMIEE-KBIGUFJUSA-N 1 3 308.426 0.011 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCNC1=O ZINC001568858361 1160821388 /nfs/dbraw/zinc/82/13/88/1160821388.db2.gz LYLOPIMAFFMIEE-KBIGUFJUSA-N 1 3 308.426 0.011 20 0 DCADHO CN(CCC[NH2+]CCNC(=O)C1CC1)C(=O)[C@@H]1CCCN1C ZINC001569189127 1160970493 /nfs/dbraw/zinc/97/04/93/1160970493.db2.gz TZCKYPLLBJQKOB-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001570300930 1161555022 /nfs/dbraw/zinc/55/50/22/1161555022.db2.gz DKEOIVOJYYQPNG-AWEZNQCLSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001574103996 1163636463 /nfs/dbraw/zinc/63/64/63/1163636463.db2.gz BFSHNVOHRFDEFS-LBPRGKRZSA-N 1 3 318.421 0.347 20 0 DCADHO O=C(NC[C@H]1C[C@@H](NCc2cn[nH]n2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001578012734 1164891148 /nfs/dbraw/zinc/89/11/48/1164891148.db2.gz XWFLVAJDCWONTG-OSAQELSMSA-N 1 3 318.425 0.131 20 0 DCADHO CC[C@@H](N)C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC001578221967 1164954267 /nfs/dbraw/zinc/95/42/67/1164954267.db2.gz ZXBMQFXVGWLGQM-CQSZACIVSA-N 1 3 301.431 0.310 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC001578418604 1165009444 /nfs/dbraw/zinc/00/94/44/1165009444.db2.gz DAONTBXCZJAGTN-UHFFFAOYSA-N 1 3 306.414 0.662 20 0 DCADHO CN1CCN(C[C@@H]2CC3(C[NH2+]C3)C(=O)O2)Cc2ccccc21 ZINC001578533554 1165049550 /nfs/dbraw/zinc/04/95/50/1165049550.db2.gz MVWBBAURXUMBAD-AWEZNQCLSA-N 1 3 301.390 0.844 20 0 DCADHO C[NH+]1CCN(c2ccnc(NC(=O)c3cnccc3N)c2)CC1 ZINC001578537459 1165050585 /nfs/dbraw/zinc/05/05/85/1165050585.db2.gz YBASLPZSDNAFFO-UHFFFAOYSA-N 1 3 312.377 0.893 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC001579273535 1165257311 /nfs/dbraw/zinc/25/73/11/1165257311.db2.gz WWPYOZAPNQGTET-INIZCTEOSA-N 1 3 303.406 0.943 20 0 DCADHO COc1cccc(C[C@H](N)C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC001579273535 1165257323 /nfs/dbraw/zinc/25/73/23/1165257323.db2.gz WWPYOZAPNQGTET-INIZCTEOSA-N 1 3 303.406 0.943 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC001579301989 1165265224 /nfs/dbraw/zinc/26/52/24/1165265224.db2.gz SWRIQNLRMUHBAQ-PBHICJAKSA-N 1 3 321.421 0.658 20 0 DCADHO COc1ccccc1[C@H](N)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC001579301989 1165265231 /nfs/dbraw/zinc/26/52/31/1165265231.db2.gz SWRIQNLRMUHBAQ-PBHICJAKSA-N 1 3 321.421 0.658 20 0 DCADHO Cc1cnccc1CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001579825101 1165403426 /nfs/dbraw/zinc/40/34/26/1165403426.db2.gz PQLNHQWTEKOFPV-XHSDSOJGSA-N 1 3 316.405 0.799 20 0 DCADHO Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CC(C)(C)[NH3+] ZINC001579910649 1165432157 /nfs/dbraw/zinc/43/21/57/1165432157.db2.gz RFGHAPHWZILGEK-UHFFFAOYSA-N 1 3 322.457 0.625 20 0 DCADHO Cn1cncc1C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC001579984646 1165459957 /nfs/dbraw/zinc/45/99/57/1165459957.db2.gz BMWIDSDQYXOWNU-CQSZACIVSA-N 1 3 319.453 0.797 20 0 DCADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN(CCCF)CC1 ZINC001580811286 1165723779 /nfs/dbraw/zinc/72/37/79/1165723779.db2.gz OBWQMGNNCOBMMG-LBPRGKRZSA-N 1 3 309.389 0.604 20 0 DCADHO OC[C@]1(c2ccccc2)CCCN(CCN2CC[NH2+]CC2)C1 ZINC001580882202 1165750465 /nfs/dbraw/zinc/75/04/65/1165750465.db2.gz OTGSMUYVXCZQNN-SFHVURJKSA-N 1 3 303.450 0.918 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\CNC(=O)CC[NH+](C)C)C1 ZINC001583562168 1166270077 /nfs/dbraw/zinc/27/00/77/1166270077.db2.gz YDWBUSFORRNFIL-ZRUQZJFASA-N 1 3 310.442 0.069 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001646550091 1172421323 /nfs/dbraw/zinc/42/13/23/1172421323.db2.gz XINVHVDQWHFPSL-ILXRZTDVSA-N 1 3 312.458 0.600 20 0 DCADHO CC(C)CC[C@@H](N)C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001646795134 1172537380 /nfs/dbraw/zinc/53/73/80/1172537380.db2.gz ONBHUVUTKHKCTC-MLGOLLRUSA-N 1 3 305.426 0.747 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001646799612 1172539247 /nfs/dbraw/zinc/53/92/47/1172539247.db2.gz OSZZRCYODYVKDE-HOTGVXAUSA-N 1 3 317.433 0.913 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)c3[nH]nc4c3CNCC4)C[C@H]2C1 ZINC001646833603 1172556628 /nfs/dbraw/zinc/55/66/28/1172556628.db2.gz HPFZXUMUGTZOAB-YNEHKIRRSA-N 1 3 317.437 0.858 20 0 DCADHO Cc1nccn1CCNC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001646968987 1172609684 /nfs/dbraw/zinc/60/96/84/1172609684.db2.gz VHXITCPUBYQJLH-ZDUSSCGKSA-N 1 3 308.430 0.127 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001647582601 1172982838 /nfs/dbraw/zinc/98/28/38/1172982838.db2.gz MCIXFEATNLPFKG-HNNXBMFYSA-N 1 3 324.469 0.738 20 0 DCADHO C[C@@H]1CN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001649881198 1173280344 /nfs/dbraw/zinc/28/03/44/1173280344.db2.gz QVNSKPMVICWAIH-SNPRPXQTSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001650159304 1173489670 /nfs/dbraw/zinc/48/96/70/1173489670.db2.gz LMCIDAITAGUYPN-APIJFGDWSA-N 1 3 310.442 0.394 20 0 DCADHO C[C@@H](CNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2)CN1CCN(C)CC1 ZINC001650163753 1173492276 /nfs/dbraw/zinc/49/22/76/1173492276.db2.gz QQCPIZZOBXSYLU-ZOBUZTSGSA-N 1 3 323.485 0.311 20 0 DCADHO N[C@@H]1CCCn2nc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc21 ZINC001650346492 1173583660 /nfs/dbraw/zinc/58/36/60/1173583660.db2.gz JCLVXOQBUXZEPM-GMSGAONNSA-N 1 3 305.304 0.686 20 0 DCADHO Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@H]1CC[C@@H](C2CC2)N1 ZINC001650428300 1173636592 /nfs/dbraw/zinc/63/65/92/1173636592.db2.gz BHFPTEVUKCRDRC-QWHCGFSZSA-N 1 3 318.425 0.173 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCCF)C1)N(C)C ZINC001673283802 1173938813 /nfs/dbraw/zinc/93/88/13/1173938813.db2.gz CCOMXLHPEFMYIU-KBPBESRZSA-N 1 3 303.422 0.749 20 0 DCADHO O=C(CN1CCCC1)NCCCN1CC[NH+](CC2CC2)CC1 ZINC001660909120 1174066962 /nfs/dbraw/zinc/06/69/62/1174066962.db2.gz KDPAUGJALCITHA-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001666476262 1174604169 /nfs/dbraw/zinc/60/41/69/1174604169.db2.gz NREFQKPDPNBFIC-CVEARBPZSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001666993192 1174654718 /nfs/dbraw/zinc/65/47/18/1174654718.db2.gz ZOGKCSOYRCLYOX-WFASDCNBSA-N 1 3 324.473 0.672 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CNCC(=O)N(C)C2CC2)C1 ZINC001669039548 1174880760 /nfs/dbraw/zinc/88/07/60/1174880760.db2.gz OCOTZJMZHAGHSP-VQTKUKTRSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CNCC(=O)N(C)C2CC2)C1 ZINC001669039548 1174880766 /nfs/dbraw/zinc/88/07/66/1174880766.db2.gz OCOTZJMZHAGHSP-VQTKUKTRSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@@H](O)C[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001672396377 1175103225 /nfs/dbraw/zinc/10/32/25/1175103225.db2.gz IMEKDIQBGOFQCI-CQSZACIVSA-N 1 3 316.405 0.951 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001672621470 1175133918 /nfs/dbraw/zinc/13/39/18/1175133918.db2.gz MPVWWKLGUUAULT-MGPQQGTHSA-N 1 3 303.422 0.485 20 0 DCADHO CC[C@@H](F)CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001672621470 1175133919 /nfs/dbraw/zinc/13/39/19/1175133919.db2.gz MPVWWKLGUUAULT-MGPQQGTHSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(N)=O ZINC001675985740 1175409602 /nfs/dbraw/zinc/40/96/02/1175409602.db2.gz GPKAIHFXYLACJC-KBPBESRZSA-N 1 3 312.458 0.609 20 0 DCADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001676078802 1175418369 /nfs/dbraw/zinc/41/83/69/1175418369.db2.gz AHKPMGGEGATLPO-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCOCC(F)F)C1 ZINC001677431022 1175563808 /nfs/dbraw/zinc/56/38/08/1175563808.db2.gz GIDZGEGHQZXIFF-UHFFFAOYSA-N 1 3 316.352 0.813 20 0 DCADHO CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C[NH2+]CCF ZINC001689067204 1176687010 /nfs/dbraw/zinc/68/70/10/1176687010.db2.gz SZANMMHWLQGUDB-KFWWJZLASA-N 1 3 317.449 0.995 20 0 DCADHO C[NH+]1CCC(C(=O)NC/C=C\CNC(=O)CN2CCCC2)CC1 ZINC001689338931 1176831422 /nfs/dbraw/zinc/83/14/22/1176831422.db2.gz GXZZNCFURAVGBL-IHWYPQMZSA-N 1 3 322.453 0.213 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001689362357 1176844421 /nfs/dbraw/zinc/84/44/21/1176844421.db2.gz XZCKHQPSINTQCN-LLYBFZRZSA-N 1 3 324.469 0.600 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001689362357 1176844436 /nfs/dbraw/zinc/84/44/36/1176844436.db2.gz XZCKHQPSINTQCN-LLYBFZRZSA-N 1 3 324.469 0.600 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCCN2CCN(CCCF)CC2)C1 ZINC001690068592 1177160441 /nfs/dbraw/zinc/16/04/41/1177160441.db2.gz SJHRJSBQHQPWEB-HNNXBMFYSA-N 1 3 314.449 0.422 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCCN2CCN(CCCF)CC2)C1 ZINC001690068592 1177160444 /nfs/dbraw/zinc/16/04/44/1177160444.db2.gz SJHRJSBQHQPWEB-HNNXBMFYSA-N 1 3 314.449 0.422 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001690281031 1177205197 /nfs/dbraw/zinc/20/51/97/1177205197.db2.gz UUSNYTOSELLLMZ-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CCOCCN1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001692164126 1177431250 /nfs/dbraw/zinc/43/12/50/1177431250.db2.gz LSIHTHASYCTYGF-KBMXLJTQSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCOCC1CC1 ZINC001692232483 1177453151 /nfs/dbraw/zinc/45/31/51/1177453151.db2.gz IJQOWJPNNVSQFH-KBMXLJTQSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCOCC1CC1 ZINC001692232483 1177453155 /nfs/dbraw/zinc/45/31/55/1177453155.db2.gz IJQOWJPNNVSQFH-KBMXLJTQSA-N 1 3 309.454 0.944 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCOCC1CC1 ZINC001698733396 1177622581 /nfs/dbraw/zinc/62/25/81/1177622581.db2.gz YTAIFCKVHWKCDA-OAHLLOKOSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CCCO ZINC001698769311 1177643989 /nfs/dbraw/zinc/64/39/89/1177643989.db2.gz YMJRGJGHUOQBOH-CJNGLKHVSA-N 1 3 317.449 0.923 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699146035 1177891871 /nfs/dbraw/zinc/89/18/71/1177891871.db2.gz HHDZFOZZKJFYRU-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001699146035 1177891879 /nfs/dbraw/zinc/89/18/79/1177891879.db2.gz HHDZFOZZKJFYRU-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001699280985 1178025064 /nfs/dbraw/zinc/02/50/64/1178025064.db2.gz JUXBMZDUBGDELY-OOPCZODUSA-N 1 3 308.426 0.141 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCn2cccn2)C1 ZINC001699306863 1178051821 /nfs/dbraw/zinc/05/18/21/1178051821.db2.gz AJIORHCEVIWCJX-FAAWYNLUSA-N 1 3 305.426 0.487 20 0 DCADHO Cc1cc(C)n(CC[NH2+]C[C@@H](C)NC(=O)CN2CC[C@H](C)C2)n1 ZINC001699380341 1178111110 /nfs/dbraw/zinc/11/11/10/1178111110.db2.gz JMDIRKWZSMPNNS-DZGCQCFKSA-N 1 3 321.469 0.936 20 0 DCADHO CN(CCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001699518878 1178178846 /nfs/dbraw/zinc/17/88/46/1178178846.db2.gz ULBLPXJFTFQZCA-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nccnc1C[NH2+]CCCN(C)C(=O)CN1CCCC1 ZINC001699550015 1178194779 /nfs/dbraw/zinc/19/47/79/1178194779.db2.gz BSTAIQMLVHFZDT-UHFFFAOYSA-N 1 3 305.426 0.819 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCn2cncn2)C1)N(C)C ZINC001699847358 1178316301 /nfs/dbraw/zinc/31/63/01/1178316301.db2.gz YDKNCEVLFMNDNY-GOEBONIOSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C ZINC001700276755 1178564688 /nfs/dbraw/zinc/56/46/88/1178564688.db2.gz YMBOYRKUKQEANZ-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCF)N1CCCCCC1 ZINC001700809317 1178759593 /nfs/dbraw/zinc/75/95/93/1178759593.db2.gz VLESBZPKBCWAHA-KGLIPLIRSA-N 1 3 303.422 0.677 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001713634341 1180981137 /nfs/dbraw/zinc/98/11/37/1180981137.db2.gz PVSYKGAHUUBZDJ-OLZOCXBDSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001713634621 1180982288 /nfs/dbraw/zinc/98/22/88/1180982288.db2.gz ZANBZMGFEFMJKN-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001713666354 1181008884 /nfs/dbraw/zinc/00/88/84/1181008884.db2.gz OLIIFVYUDFCRKQ-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCC(=O)N(C)C1CC1 ZINC001713666354 1181008891 /nfs/dbraw/zinc/00/88/91/1181008891.db2.gz OLIIFVYUDFCRKQ-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CC[NH2+]CCOCC(F)(F)F)C(=O)[C@@H]1CCCN1C ZINC001714690950 1181482989 /nfs/dbraw/zinc/48/29/89/1181482989.db2.gz OABBMQWPNLVGTM-NSHDSACASA-N 1 3 311.348 0.708 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714780848 1181542680 /nfs/dbraw/zinc/54/26/80/1181542680.db2.gz MZJXPQOMPIETTG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNCC(=O)NC1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001714780848 1181542684 /nfs/dbraw/zinc/54/26/84/1181542684.db2.gz MZJXPQOMPIETTG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001715327028 1181775019 /nfs/dbraw/zinc/77/50/19/1181775019.db2.gz RWRXZNNLXUESPX-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1noc(CCC[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)n1 ZINC001715797405 1182008372 /nfs/dbraw/zinc/00/83/72/1182008372.db2.gz FZIUITADJHVGOR-VQTKUKTRSA-N 1 3 321.425 0.667 20 0 DCADHO CCN(C)C(=O)CNC/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716344386 1182347902 /nfs/dbraw/zinc/34/79/02/1182347902.db2.gz VEFUSHBGYHOSJB-GXMNPTEKSA-N 1 3 310.442 0.069 20 0 DCADHO CCN(C)C(=O)CNC/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001716344386 1182347906 /nfs/dbraw/zinc/34/79/06/1182347906.db2.gz VEFUSHBGYHOSJB-GXMNPTEKSA-N 1 3 310.442 0.069 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001717828109 1183020623 /nfs/dbraw/zinc/02/06/23/1183020623.db2.gz OJZIZVLVRXQCPZ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](F)CC[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001724986915 1184646326 /nfs/dbraw/zinc/64/63/26/1184646326.db2.gz UICRIYVODHMFSS-AWEZNQCLSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC/C=C\Cl)CC[N@@H+]1C ZINC001725695167 1184947561 /nfs/dbraw/zinc/94/75/61/1184947561.db2.gz LFNHEAMDKHSHIW-VNRFJKPMSA-N 1 3 303.834 0.488 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNC/C=C\Cl)CC[N@H+]1C ZINC001725695167 1184947566 /nfs/dbraw/zinc/94/75/66/1184947566.db2.gz LFNHEAMDKHSHIW-VNRFJKPMSA-N 1 3 303.834 0.488 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C[NH2+]CCn1cncn1)C(C)(C)C)N(C)C ZINC001725744493 1184980322 /nfs/dbraw/zinc/98/03/22/1184980322.db2.gz HCIXENDXFVLLNZ-KGLIPLIRSA-N 1 3 324.473 0.739 20 0 DCADHO CCCN1CCN(CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001731362672 1185296160 /nfs/dbraw/zinc/29/61/60/1185296160.db2.gz GDLUWXBCWYFYSW-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)N(C)C)C1 ZINC001731946430 1185599225 /nfs/dbraw/zinc/59/92/25/1185599225.db2.gz MKXANYNUMIUZDZ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCC(=O)N(C)C)C1 ZINC001731946430 1185599231 /nfs/dbraw/zinc/59/92/31/1185599231.db2.gz MKXANYNUMIUZDZ-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001732423296 1185811492 /nfs/dbraw/zinc/81/14/92/1185811492.db2.gz QBETWIPIKCWZDK-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+]CCCF)CCOCC1 ZINC001733833484 1186468465 /nfs/dbraw/zinc/46/84/65/1186468465.db2.gz QGHXGJIMYHFXEN-UHFFFAOYSA-N 1 3 303.422 0.941 20 0 DCADHO C[C@H](O)CN1CCC(CO)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001733918096 1186497128 /nfs/dbraw/zinc/49/71/28/1186497128.db2.gz HMMOOBGZSRVZBQ-AWEZNQCLSA-N 1 3 315.458 0.042 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCOc2ccccc2)C1 ZINC001734385671 1186636627 /nfs/dbraw/zinc/63/66/27/1186636627.db2.gz UCOXQZWITZZYAY-LSDHHAIUSA-N 1 3 321.421 0.084 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCOc2ccccc2)C1 ZINC001734385671 1186636635 /nfs/dbraw/zinc/63/66/35/1186636635.db2.gz UCOXQZWITZZYAY-LSDHHAIUSA-N 1 3 321.421 0.084 20 0 DCADHO CN(C)C1(C(=O)NCCCNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001736951085 1187191519 /nfs/dbraw/zinc/19/15/19/1187191519.db2.gz BFRWOFPELXLOQK-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001738527553 1187583513 /nfs/dbraw/zinc/58/35/13/1187583513.db2.gz JOHKLFMGUIVABJ-LLYBFZRZSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001738527553 1187583515 /nfs/dbraw/zinc/58/35/15/1187583515.db2.gz JOHKLFMGUIVABJ-LLYBFZRZSA-N 1 3 324.469 0.457 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001753260381 1188552132 /nfs/dbraw/zinc/55/21/32/1188552132.db2.gz JONMCOASFWXHEH-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H]1CCCN(C(=O)CNCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001753260381 1188552136 /nfs/dbraw/zinc/55/21/36/1188552136.db2.gz JONMCOASFWXHEH-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCCCO)c2ccccc2)C1 ZINC001753302380 1188560715 /nfs/dbraw/zinc/56/07/15/1188560715.db2.gz AGORNAACHUWDKL-HOTGVXAUSA-N 1 3 305.422 0.768 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](NCCCO)c2ccccc2)C1 ZINC001753302380 1188560718 /nfs/dbraw/zinc/56/07/18/1188560718.db2.gz AGORNAACHUWDKL-HOTGVXAUSA-N 1 3 305.422 0.768 20 0 DCADHO CN(CC(=O)N1CCC[C@@H](CC[NH2+]CC(N)=O)C1)C1CCC1 ZINC001753548405 1188617032 /nfs/dbraw/zinc/61/70/32/1188617032.db2.gz OFYDSDSTGBOMRA-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001753795415 1188656090 /nfs/dbraw/zinc/65/60/90/1188656090.db2.gz GHVBJSWFFNGZJG-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2cnnn2C)CC[N@@H+]1C ZINC001754371963 1188835371 /nfs/dbraw/zinc/83/53/71/1188835371.db2.gz JUTGDLZAFCUARH-LSDHHAIUSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCCNCc2cnnn2C)CC[N@H+]1C ZINC001754371963 1188835373 /nfs/dbraw/zinc/83/53/73/1188835373.db2.gz JUTGDLZAFCUARH-LSDHHAIUSA-N 1 3 322.457 0.484 20 0 DCADHO COc1nccc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001754413021 1188849069 /nfs/dbraw/zinc/84/90/69/1188849069.db2.gz CSWFQIICMONHJA-ZDUSSCGKSA-N 1 3 321.425 0.375 20 0 DCADHO COc1nccc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001754413021 1188849073 /nfs/dbraw/zinc/84/90/73/1188849073.db2.gz CSWFQIICMONHJA-ZDUSSCGKSA-N 1 3 321.425 0.375 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCN(C)C(=O)CN2CCCC2)n1 ZINC001754413699 1188849426 /nfs/dbraw/zinc/84/94/26/1188849426.db2.gz QDCWRCVFMNQIAD-UHFFFAOYSA-N 1 3 322.457 0.429 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCOCC(F)F ZINC001755116291 1189028558 /nfs/dbraw/zinc/02/85/58/1189028558.db2.gz KRMGVFDXOVBGPE-JQWIXIFHSA-N 1 3 316.352 0.670 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001758009802 1189679069 /nfs/dbraw/zinc/67/90/69/1189679069.db2.gz WMEYIXBOTLHWFL-AWEZNQCLSA-N 1 3 322.453 0.045 20 0 DCADHO CN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CCN(C)CC1 ZINC000316792779 1190417055 /nfs/dbraw/zinc/41/70/55/1190417055.db2.gz GHGNHNKLNOOBCV-UHFFFAOYSA-N 1 3 306.414 0.369 20 0 DCADHO [NH3+]CCN(CC(=O)N[C@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC001771755121 1190490313 /nfs/dbraw/zinc/49/03/13/1190490313.db2.gz SFILYWZVWIWHOJ-INIZCTEOSA-N 1 3 316.449 0.800 20 0 DCADHO C[C@@H]([NH3+])C1(C(=O)N2CCC3(CC2)CNCCO3)CCOCC1 ZINC001772284895 1190653325 /nfs/dbraw/zinc/65/33/25/1190653325.db2.gz DCRVVBJEWBVEIQ-CYBMUJFWSA-N 1 3 311.426 0.111 20 0 DCADHO CC(C)CN1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001164654400 719333714 /nfs/dbraw/zinc/33/37/14/719333714.db2.gz PGBQYDIBEIBLKW-UHFFFAOYSA-N 1 3 304.442 0.664 20 0 DCADHO CN1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]21 ZINC001164669748 719422976 /nfs/dbraw/zinc/42/29/76/719422976.db2.gz MOVDNMNDOHUPRS-HUUCEWRRSA-N 1 3 317.437 0.528 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078197452 753102705 /nfs/dbraw/zinc/10/27/05/753102705.db2.gz HRIVAIOZBBXCDI-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH]cn2)C1 ZINC001089869316 751712965 /nfs/dbraw/zinc/71/29/65/751712965.db2.gz JQIVQCPBLMTCPC-TUUVXOQKSA-N 1 3 318.421 0.767 20 0 DCADHO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH]cn2)C1 ZINC001089869316 751712972 /nfs/dbraw/zinc/71/29/72/751712972.db2.gz JQIVQCPBLMTCPC-TUUVXOQKSA-N 1 3 318.421 0.767 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC001127779674 752065530 /nfs/dbraw/zinc/06/55/30/752065530.db2.gz PWPBQCADQYXSNW-JSGCOSHPSA-N 1 3 324.450 0.521 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001127779674 752065539 /nfs/dbraw/zinc/06/55/39/752065539.db2.gz PWPBQCADQYXSNW-JSGCOSHPSA-N 1 3 324.450 0.521 20 0 DCADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001167224474 747025031 /nfs/dbraw/zinc/02/50/31/747025031.db2.gz KWVKVOIDCNUPSV-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001167223832 747025566 /nfs/dbraw/zinc/02/55/66/747025566.db2.gz AXMPIPORTSCYIQ-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001167232891 747031395 /nfs/dbraw/zinc/03/13/95/747031395.db2.gz TUQYDCOOPWBMFW-QWHCGFSZSA-N 1 3 310.442 0.078 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100459925 747098432 /nfs/dbraw/zinc/09/84/32/747098432.db2.gz FVKWGAIVCWXTFG-UHFFFAOYSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291126 747131212 /nfs/dbraw/zinc/13/12/12/747131212.db2.gz JFCBRRXJNWPPNE-XNRPHZJLSA-N 1 3 324.469 0.147 20 0 DCADHO [NH3+]C1CCN([C@H]2CCN(C(=O)C[C@@H]3CNCC3(F)F)C2)CC1 ZINC001161378734 747331654 /nfs/dbraw/zinc/33/16/54/747331654.db2.gz MHYGPSPHXVKHSK-YPMHNXCESA-N 1 3 316.396 0.255 20 0 DCADHO CC(C)CCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083275259 747679617 /nfs/dbraw/zinc/67/96/17/747679617.db2.gz VQSHWXRKJMBCOC-OWCLPIDISA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)CCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275259 747679619 /nfs/dbraw/zinc/67/96/19/747679619.db2.gz VQSHWXRKJMBCOC-OWCLPIDISA-N 1 3 309.454 0.896 20 0 DCADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC001203437410 748871442 /nfs/dbraw/zinc/87/14/42/748871442.db2.gz KVECRLFCZHHKQX-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059352031 749016811 /nfs/dbraw/zinc/01/68/11/749016811.db2.gz NSSAXVWQXNWUQG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001088326180 749369232 /nfs/dbraw/zinc/36/92/32/749369232.db2.gz JABPCNXLSLEILK-KGLIPLIRSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@]1(O)CN[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C1 ZINC001211936060 749680143 /nfs/dbraw/zinc/68/01/43/749680143.db2.gz ZCCUJRADLJABNB-WFASDCNBSA-N 1 3 301.350 0.563 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077127632 750214936 /nfs/dbraw/zinc/21/49/36/750214936.db2.gz CJXJZMZUDZZGDC-BZUAXINKSA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077127632 750214941 /nfs/dbraw/zinc/21/49/41/750214941.db2.gz CJXJZMZUDZZGDC-BZUAXINKSA-N 1 3 309.454 0.536 20 0 DCADHO CC[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299180 750329159 /nfs/dbraw/zinc/32/91/59/750329159.db2.gz SVOKOCKNRIADSW-RBSFLKMASA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001077299180 750329165 /nfs/dbraw/zinc/32/91/65/750329165.db2.gz SVOKOCKNRIADSW-RBSFLKMASA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001077299180 750329169 /nfs/dbraw/zinc/32/91/69/750329169.db2.gz SVOKOCKNRIADSW-RBSFLKMASA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-n1ccnc1C(N)=[NH2+] ZINC001168412103 750637572 /nfs/dbraw/zinc/63/75/72/750637572.db2.gz SRZQRSHMWBAELR-UHFFFAOYSA-N 1 3 315.381 0.995 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046010961 750824330 /nfs/dbraw/zinc/82/43/30/750824330.db2.gz XOVYMAKAJGXMTJ-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046010961 750824335 /nfs/dbraw/zinc/82/43/35/750824335.db2.gz XOVYMAKAJGXMTJ-HZPDHXFCSA-N 1 3 308.470 0.709 20 0 DCADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(N)=O ZINC001127343885 751156404 /nfs/dbraw/zinc/15/64/04/751156404.db2.gz CKUQSSCCZDQGKY-ZFWWWQNUSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](NCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(N)=O ZINC001127343885 751156406 /nfs/dbraw/zinc/15/64/06/751156406.db2.gz CKUQSSCCZDQGKY-ZFWWWQNUSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001106600238 751199571 /nfs/dbraw/zinc/19/95/71/751199571.db2.gz VJQKRTUREDSNLI-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C)C(N)=O ZINC001106785198 751279730 /nfs/dbraw/zinc/27/97/30/751279730.db2.gz ZTCHNJQNMNRPSM-MGPQQGTHSA-N 1 3 312.458 0.276 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(N)=O)C[C@H]2C)CC1 ZINC001044790125 752876378 /nfs/dbraw/zinc/87/63/78/752876378.db2.gz BOSLCGHKSTZDEW-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978709 752939998 /nfs/dbraw/zinc/93/99/98/752939998.db2.gz LOMXOLUKARXNKO-IAGOWNOFSA-N 1 3 323.481 0.926 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001044960126 752960188 /nfs/dbraw/zinc/96/01/88/752960188.db2.gz WFLJSDYKBAXTTG-JKSUJKDBSA-N 1 3 319.453 0.903 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)C1=O ZINC001045311225 753140765 /nfs/dbraw/zinc/14/07/65/753140765.db2.gz HVHDEZAPXDSVSC-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001078479301 753259529 /nfs/dbraw/zinc/25/95/29/753259529.db2.gz WNWAWJFULVGUGO-UKRRQHHQSA-N 1 3 322.409 0.196 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)C1 ZINC001045640393 753275748 /nfs/dbraw/zinc/27/57/48/753275748.db2.gz PIVWFMWHNZCSIL-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(CCn3cncn3)CC2)C1 ZINC001045640393 753275754 /nfs/dbraw/zinc/27/57/54/753275754.db2.gz PIVWFMWHNZCSIL-CQSZACIVSA-N 1 3 320.441 0.201 20 0 DCADHO CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046493405 753749558 /nfs/dbraw/zinc/74/95/58/753749558.db2.gz VHYGFBQJBZTLBE-HTUOJYHCSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001046493405 753749560 /nfs/dbraw/zinc/74/95/60/753749560.db2.gz VHYGFBQJBZTLBE-HTUOJYHCSA-N 1 3 307.438 0.840 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001048390887 754734851 /nfs/dbraw/zinc/73/48/51/754734851.db2.gz DTCGEWFEAVAONZ-CHWSQXEVSA-N 1 3 316.409 0.570 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048563298 754807607 /nfs/dbraw/zinc/80/76/07/754807607.db2.gz WZHFIUGTVOERBT-UXXRCYHCSA-N 1 3 322.453 0.029 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048563298 754807615 /nfs/dbraw/zinc/80/76/15/754807615.db2.gz WZHFIUGTVOERBT-UXXRCYHCSA-N 1 3 322.453 0.029 20 0 DCADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048833072 754967950 /nfs/dbraw/zinc/96/79/50/754967950.db2.gz JMQHLRCNCYMFFB-YYIAUSFCSA-N 1 3 319.449 0.650 20 0 DCADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001048833072 754967952 /nfs/dbraw/zinc/96/79/52/754967952.db2.gz JMQHLRCNCYMFFB-YYIAUSFCSA-N 1 3 319.449 0.650 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1)C1CCC1 ZINC001048865143 754986145 /nfs/dbraw/zinc/98/61/45/754986145.db2.gz WIXHQMJLYMWDNL-HRCADAONSA-N 1 3 321.465 0.897 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1)C1CCC1 ZINC001048865143 754986150 /nfs/dbraw/zinc/98/61/50/754986150.db2.gz WIXHQMJLYMWDNL-HRCADAONSA-N 1 3 321.465 0.897 20 0 DCADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943936 755032130 /nfs/dbraw/zinc/03/21/30/755032130.db2.gz KDXKETCEGIHLHL-OWQJAQGESA-N 1 3 319.449 0.648 20 0 DCADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943936 755032136 /nfs/dbraw/zinc/03/21/36/755032136.db2.gz KDXKETCEGIHLHL-OWQJAQGESA-N 1 3 319.449 0.648 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001049038485 755086919 /nfs/dbraw/zinc/08/69/19/755086919.db2.gz INKSGQFSXZECFU-WCXIOVBPSA-N 1 3 323.481 0.999 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001049038485 755086925 /nfs/dbraw/zinc/08/69/25/755086925.db2.gz INKSGQFSXZECFU-WCXIOVBPSA-N 1 3 323.481 0.999 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001049038483 755086962 /nfs/dbraw/zinc/08/69/62/755086962.db2.gz INKSGQFSXZECFU-MWDXBVQZSA-N 1 3 323.481 0.999 20 0 DCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1)N(C)C ZINC001049038483 755086966 /nfs/dbraw/zinc/08/69/66/755086966.db2.gz INKSGQFSXZECFU-MWDXBVQZSA-N 1 3 323.481 0.999 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058839 755096321 /nfs/dbraw/zinc/09/63/21/755096321.db2.gz IYZSDUUZQNJZST-YHUYYLMFSA-N 1 3 309.454 0.753 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058839 755096329 /nfs/dbraw/zinc/09/63/29/755096329.db2.gz IYZSDUUZQNJZST-YHUYYLMFSA-N 1 3 309.454 0.753 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001063100288 755104771 /nfs/dbraw/zinc/10/47/71/755104771.db2.gz JPYBCMDLDCUCDM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001063100288 755104772 /nfs/dbraw/zinc/10/47/72/755104772.db2.gz JPYBCMDLDCUCDM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC001049083266 755107901 /nfs/dbraw/zinc/10/79/01/755107901.db2.gz WKEWQDDGHIJBTM-OKILXGFUSA-N 1 3 314.393 0.239 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC001049083266 755107903 /nfs/dbraw/zinc/10/79/03/755107903.db2.gz WKEWQDDGHIJBTM-OKILXGFUSA-N 1 3 314.393 0.239 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001064364937 755388529 /nfs/dbraw/zinc/38/85/29/755388529.db2.gz MLTAXGHLCDZADI-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@H]1CCCN(CC(N)=O)CC1 ZINC001052872154 755848896 /nfs/dbraw/zinc/84/88/96/755848896.db2.gz XBKOSGKSDJYSGS-LBPRGKRZSA-N 1 3 319.409 0.217 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052872154 755848902 /nfs/dbraw/zinc/84/89/02/755848902.db2.gz XBKOSGKSDJYSGS-LBPRGKRZSA-N 1 3 319.409 0.217 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052872154 755848906 /nfs/dbraw/zinc/84/89/06/755848906.db2.gz XBKOSGKSDJYSGS-LBPRGKRZSA-N 1 3 319.409 0.217 20 0 DCADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001080441862 756214195 /nfs/dbraw/zinc/21/41/95/756214195.db2.gz BNNKKTHAEQOLHH-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1)C1CC1 ZINC001054144964 756384408 /nfs/dbraw/zinc/38/44/08/756384408.db2.gz GACXTWNYUMTASL-DOTOQJQBSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1)C1CC1 ZINC001054144964 756384415 /nfs/dbraw/zinc/38/44/15/756384415.db2.gz GACXTWNYUMTASL-DOTOQJQBSA-N 1 3 309.454 0.633 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001054298037 756427857 /nfs/dbraw/zinc/42/78/57/756427857.db2.gz ZJHZQQJRJYWMGD-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C)cn1 ZINC001082450072 757139462 /nfs/dbraw/zinc/13/94/62/757139462.db2.gz VMDVPSRLJLBKQC-DAXOMENPSA-N 1 3 317.437 0.816 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001082589368 757195944 /nfs/dbraw/zinc/19/59/44/757195944.db2.gz YDKXCZSDBXNLCO-FVQBIDKESA-N 1 3 321.469 0.739 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001082835624 757295140 /nfs/dbraw/zinc/29/51/40/757295140.db2.gz LTMOZKNDVIGVHD-VNHYZAJKSA-N 1 3 324.469 0.417 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937082 757556501 /nfs/dbraw/zinc/55/65/01/757556501.db2.gz LOMXOLUKARXNKO-SJORKVTESA-N 1 3 323.481 0.926 20 0 DCADHO CCCN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083936976 757556792 /nfs/dbraw/zinc/55/67/92/757556792.db2.gz FRIUBKGZAOJDGE-CVEARBPZSA-N 1 3 309.454 0.680 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166857293 757950892 /nfs/dbraw/zinc/95/08/92/757950892.db2.gz BVASAVSJTFSWQP-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085306690 758808766 /nfs/dbraw/zinc/80/87/66/758808766.db2.gz MMOUCVPSSNXBLA-RRFJBIMHSA-N 1 3 324.469 0.611 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085306690 758808770 /nfs/dbraw/zinc/80/87/70/758808770.db2.gz MMOUCVPSSNXBLA-RRFJBIMHSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001051683992 758860261 /nfs/dbraw/zinc/86/02/61/758860261.db2.gz UTGRCZIGDAOPPX-HUUCEWRRSA-N 1 3 323.441 0.077 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCCCO2)C1 ZINC001051848308 758986743 /nfs/dbraw/zinc/98/67/43/758986743.db2.gz OTXKSUNSYMLTID-GJZGRUSLSA-N 1 3 322.409 0.338 20 0 DCADHO CC(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001051995235 759098492 /nfs/dbraw/zinc/09/84/92/759098492.db2.gz BUJZFHGUNPPWSJ-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109196 759185601 /nfs/dbraw/zinc/18/56/01/759185601.db2.gz YHNYMTZBRZHZBE-INIZCTEOSA-N 1 3 320.481 0.711 20 0 DCADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085732147 759246987 /nfs/dbraw/zinc/24/69/87/759246987.db2.gz SVAMSYSZHKIJHC-BNQMIIOLSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085732147 759246992 /nfs/dbraw/zinc/24/69/92/759246992.db2.gz SVAMSYSZHKIJHC-BNQMIIOLSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@@H]1CC[N@@H+]1CC1CC1)C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001085732147 759246996 /nfs/dbraw/zinc/24/69/96/759246996.db2.gz SVAMSYSZHKIJHC-BNQMIIOLSA-N 1 3 319.449 0.792 20 0 DCADHO CN(C[C@@H]1CC[N@H+]1CC1CC1)C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001085732147 759246999 /nfs/dbraw/zinc/24/69/99/759246999.db2.gz SVAMSYSZHKIJHC-BNQMIIOLSA-N 1 3 319.449 0.792 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994359 767901895 /nfs/dbraw/zinc/90/18/95/767901895.db2.gz FXRQKHKLAWFBEE-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1ncn(-c2ncc3c(n2)CNCC3)c1CSCC[NH3+] ZINC001168783942 760406816 /nfs/dbraw/zinc/40/68/16/760406816.db2.gz QNNDOBKFUQYWPW-UHFFFAOYSA-N 1 3 304.423 0.808 20 0 DCADHO CC(=O)N1CCC[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)C1 ZINC001169631261 760759941 /nfs/dbraw/zinc/75/99/41/760759941.db2.gz BDBVZNDLKTYGMN-SFHVURJKSA-N 1 3 322.497 0.957 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831663 761069516 /nfs/dbraw/zinc/06/95/16/761069516.db2.gz HXFFKPZBAVXIHW-MJBXVCDLSA-N 1 3 310.442 0.042 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001148570667 768011467 /nfs/dbraw/zinc/01/14/67/768011467.db2.gz JZNMCAQSZQDYTN-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001148570667 768011474 /nfs/dbraw/zinc/01/14/74/768011474.db2.gz JZNMCAQSZQDYTN-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]CCCN2CCCC2=O)CCC1 ZINC001129380114 761223412 /nfs/dbraw/zinc/22/34/12/761223412.db2.gz DJWIFVLCBCGVOZ-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001148654828 768024215 /nfs/dbraw/zinc/02/42/15/768024215.db2.gz BNNKQMNUNQQVSN-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534991 761297457 /nfs/dbraw/zinc/29/74/57/761297457.db2.gz YJZMXGCNTRRJPQ-OFQRWUPVSA-N 1 3 319.453 0.666 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070865371 761478017 /nfs/dbraw/zinc/47/80/17/761478017.db2.gz SIJJWDYBVMCWHD-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070865371 761478019 /nfs/dbraw/zinc/47/80/19/761478019.db2.gz SIJJWDYBVMCWHD-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129448825 762938073 /nfs/dbraw/zinc/93/80/73/762938073.db2.gz INDHKDNEPYPZQX-LSDHHAIUSA-N 1 3 315.458 0.066 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449194 762938114 /nfs/dbraw/zinc/93/81/14/762938114.db2.gz KXXAVWHADFOQBO-WFASDCNBSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001129429729 762939275 /nfs/dbraw/zinc/93/92/75/762939275.db2.gz KMVIQSHVQCFWHW-KBPBESRZSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001129429729 762939279 /nfs/dbraw/zinc/93/92/79/762939279.db2.gz KMVIQSHVQCFWHW-KBPBESRZSA-N 1 3 310.442 0.363 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccc2nonc2c1)C1CC1 ZINC001129442773 762945429 /nfs/dbraw/zinc/94/54/29/762945429.db2.gz FYDLVAGSMMAOJE-HNNXBMFYSA-N 1 3 317.393 0.769 20 0 DCADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)C(=O)N1CCCCC1 ZINC001129535411 762961498 /nfs/dbraw/zinc/96/14/98/762961498.db2.gz QBFCHJYGUVCUFS-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001129845582 763023264 /nfs/dbraw/zinc/02/32/64/763023264.db2.gz ILXRJSWXKJOCSS-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001129845582 763023267 /nfs/dbraw/zinc/02/32/67/763023267.db2.gz ILXRJSWXKJOCSS-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001129856763 763025983 /nfs/dbraw/zinc/02/59/83/763025983.db2.gz XARNMEWORWGGPS-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)NCC1CC1 ZINC001129856763 763025989 /nfs/dbraw/zinc/02/59/89/763025989.db2.gz XARNMEWORWGGPS-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001129949260 763054780 /nfs/dbraw/zinc/05/47/80/763054780.db2.gz AMUBOOOPQWVFID-JSGCOSHPSA-N 1 3 308.430 0.057 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949345 763055536 /nfs/dbraw/zinc/05/55/36/763055536.db2.gz BNCPYMCRWHEXOZ-KBPBESRZSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1)N(C)C ZINC001129947257 763065419 /nfs/dbraw/zinc/06/54/19/763065419.db2.gz QXAYYONBQRNLKK-SJORKVTESA-N 1 3 321.465 0.882 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCC(=O)NC1CCCC1)[NH+](C)C ZINC001129947137 763065684 /nfs/dbraw/zinc/06/56/84/763065684.db2.gz LIVVAJYZQQZROU-HNNXBMFYSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171358365 768110510 /nfs/dbraw/zinc/11/05/10/768110510.db2.gz FAPXTXJQQZKGFU-HIFRSBDPSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)=CCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972036 763177216 /nfs/dbraw/zinc/17/72/16/763177216.db2.gz PVJWOQXHWSJWTO-GJZGRUSLSA-N 1 3 309.454 0.846 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COc1ccccc1)N(C)C ZINC001130205561 763178207 /nfs/dbraw/zinc/17/82/07/763178207.db2.gz ORVOVNSAFRZGGP-GOEBONIOSA-N 1 3 323.437 0.472 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+]CCn1c(C)csc1=O)N(C)C ZINC001130205820 763179606 /nfs/dbraw/zinc/17/96/06/763179606.db2.gz XTRSILBLRMJHCF-GFCCVEGCSA-N 1 3 314.455 0.264 20 0 DCADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN(CC)CC)[C@H](O)C1 ZINC001100041219 763247394 /nfs/dbraw/zinc/24/73/94/763247394.db2.gz GFDMLUSRWSALBR-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN(CC)CC)[C@H](O)C1 ZINC001100041219 763247397 /nfs/dbraw/zinc/24/73/97/763247397.db2.gz GFDMLUSRWSALBR-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COCC(C)C ZINC001130422006 763296055 /nfs/dbraw/zinc/29/60/55/763296055.db2.gz SIGDOQUXIATQNS-CQSZACIVSA-N 1 3 317.474 0.456 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100408254 763556984 /nfs/dbraw/zinc/55/69/84/763556984.db2.gz ZYZRKIXAHSMDAN-LDZOIKDWSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001100444769 763582968 /nfs/dbraw/zinc/58/29/68/763582968.db2.gz ZPFMKRAAAMJKJA-JXQTWKCFSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC001100460211 763590018 /nfs/dbraw/zinc/59/00/18/763590018.db2.gz UTRFHWKSBKOFOQ-JXQTWKCFSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCOCCOC)C1 ZINC001100769271 763773590 /nfs/dbraw/zinc/77/35/90/763773590.db2.gz AYDWSGIWUBLIPL-UHFFFAOYSA-N 1 3 315.458 0.476 20 0 DCADHO CSc1nc(N[C@H](C)[C@@H]2CNCCO2)cc(C2C[NH2+]C2)n1 ZINC001170565680 763843143 /nfs/dbraw/zinc/84/31/43/763843143.db2.gz WBXUYQHJFYXQCW-SKDRFNHKSA-N 1 3 309.439 0.674 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCn2cccn2)C1 ZINC001100901604 763847255 /nfs/dbraw/zinc/84/72/55/763847255.db2.gz DQFQBDOAUROZSR-UHFFFAOYSA-N 1 3 307.442 0.709 20 0 DCADHO C[C@@H](Nc1ccc2c(C3C[NH2+]C3)ncn2c1)[C@@H]1CNCCO1 ZINC001170566843 763853128 /nfs/dbraw/zinc/85/31/28/763853128.db2.gz HTFKHDGYCYKDGN-ABAIWWIYSA-N 1 3 301.394 0.810 20 0 DCADHO CCN1CC[C@@H](NCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131790591 764013655 /nfs/dbraw/zinc/01/36/55/764013655.db2.gz QHNQMYGNMUMSFF-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)CC2([NH+](C)C)CCCC2)C1=O ZINC001131841133 764059819 /nfs/dbraw/zinc/05/98/19/764059819.db2.gz ZQACFVDIDDESDS-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](C[C@@H]1CCOC1)C2 ZINC001092050575 768186493 /nfs/dbraw/zinc/18/64/93/768186493.db2.gz YEJSDNZNWUNGJN-VBQJREDUSA-N 1 3 318.421 0.769 20 0 DCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](C[C@@H]1CCOC1)C2 ZINC001092050575 768186498 /nfs/dbraw/zinc/18/64/98/768186498.db2.gz YEJSDNZNWUNGJN-VBQJREDUSA-N 1 3 318.421 0.769 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283790 764352323 /nfs/dbraw/zinc/35/23/23/764352323.db2.gz JAJTYPQQPLNQFD-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314574 764591831 /nfs/dbraw/zinc/59/18/31/764591831.db2.gz PYZUBPSBJLYVDG-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001132738237 764617327 /nfs/dbraw/zinc/61/73/27/764617327.db2.gz XEDJWQIZYAHZSH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001132738237 764617329 /nfs/dbraw/zinc/61/73/29/764617329.db2.gz XEDJWQIZYAHZSH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132883521 764705965 /nfs/dbraw/zinc/70/59/65/764705965.db2.gz HDILIFPUTNGTLY-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001132889135 764710915 /nfs/dbraw/zinc/71/09/15/764710915.db2.gz XFXWBZYNHQAFFK-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001132893010 764714052 /nfs/dbraw/zinc/71/40/52/764714052.db2.gz GNQPENGVJSHFDB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001132893010 764714058 /nfs/dbraw/zinc/71/40/58/764714058.db2.gz GNQPENGVJSHFDB-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600771 764720077 /nfs/dbraw/zinc/72/00/77/764720077.db2.gz UTTJSVFQIAZQQY-KFWWJZLASA-N 1 3 315.458 0.018 20 0 DCADHO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C1 ZINC001102600771 764720081 /nfs/dbraw/zinc/72/00/81/764720081.db2.gz UTTJSVFQIAZQQY-KFWWJZLASA-N 1 3 315.458 0.018 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051671 764802148 /nfs/dbraw/zinc/80/21/48/764802148.db2.gz KSEFCXOOQVBXCR-CYBMUJFWSA-N 1 3 300.447 0.195 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051743 764802184 /nfs/dbraw/zinc/80/21/84/764802184.db2.gz NGHRZEWUWNRZNL-OLZOCXBDSA-N 1 3 300.447 0.337 20 0 DCADHO C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCO ZINC001133120819 764835967 /nfs/dbraw/zinc/83/59/67/764835967.db2.gz BJJONLZNDLWTBW-LSDHHAIUSA-N 1 3 311.470 0.785 20 0 DCADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001133135902 764840081 /nfs/dbraw/zinc/84/00/81/764840081.db2.gz YXABMKBWISBPEC-OLZOCXBDSA-N 1 3 321.425 0.115 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001133275520 764905037 /nfs/dbraw/zinc/90/50/37/764905037.db2.gz TXCPKPOXUIWHMI-KBPBESRZSA-N 1 3 312.458 0.148 20 0 DCADHO CCCCC[C@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291007 764909304 /nfs/dbraw/zinc/90/93/04/764909304.db2.gz HJBDKAUCPAXVQC-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCN(C(C)C)C1=O)[NH+](C)C ZINC001133433915 764966550 /nfs/dbraw/zinc/96/65/50/764966550.db2.gz CYSHZJOSICUTHU-UONOGXRCSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)NC(C)C)[NH+](CC)CC ZINC001133684969 765091551 /nfs/dbraw/zinc/09/15/51/765091551.db2.gz ODMFLHWYZXGWGR-CYBMUJFWSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@H](C(=O)NCCNCC(=O)N(C)CC)[NH+](CC)CC ZINC001133685651 765093599 /nfs/dbraw/zinc/09/35/99/765093599.db2.gz YQIZXVWIKDBFHK-CYBMUJFWSA-N 1 3 300.447 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103663478 765102982 /nfs/dbraw/zinc/10/29/82/765102982.db2.gz CZMLYMCYYXDBLG-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001103663478 765102990 /nfs/dbraw/zinc/10/29/90/765102990.db2.gz CZMLYMCYYXDBLG-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001103755451 765119968 /nfs/dbraw/zinc/11/99/68/765119968.db2.gz HKULOSCQCTYUJW-HZSPNIEDSA-N 1 3 312.458 0.275 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001103755451 765119971 /nfs/dbraw/zinc/11/99/71/765119971.db2.gz HKULOSCQCTYUJW-HZSPNIEDSA-N 1 3 312.458 0.275 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133819497 765149938 /nfs/dbraw/zinc/14/99/38/765149938.db2.gz DPTFRRUDHSRJKH-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133819497 765149942 /nfs/dbraw/zinc/14/99/42/765149942.db2.gz DPTFRRUDHSRJKH-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001133823723 765155061 /nfs/dbraw/zinc/15/50/61/765155061.db2.gz MQIONBQVDAAGEP-LSDHHAIUSA-N 1 3 313.442 0.372 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001133830986 765161606 /nfs/dbraw/zinc/16/16/06/765161606.db2.gz FHJVFUZZTKVZFZ-ZDUSSCGKSA-N 1 3 306.410 0.075 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133834477 765165269 /nfs/dbraw/zinc/16/52/69/765165269.db2.gz YWCGHAQDQFVJTH-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001133834477 765165273 /nfs/dbraw/zinc/16/52/73/765165273.db2.gz YWCGHAQDQFVJTH-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001133845316 765178914 /nfs/dbraw/zinc/17/89/14/765178914.db2.gz BBUOVKBPWREHEY-GFCCVEGCSA-N 1 3 309.414 0.358 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N2CCC[C@@H](C)C2)C1 ZINC001133846108 765180128 /nfs/dbraw/zinc/18/01/28/765180128.db2.gz UFOUAFQTPMLCOR-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N2CCC[C@@H](C)C2)C1 ZINC001133846108 765180130 /nfs/dbraw/zinc/18/01/30/765180130.db2.gz UFOUAFQTPMLCOR-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN1C)c1nccn12 ZINC001092354902 768270610 /nfs/dbraw/zinc/27/06/10/768270610.db2.gz OLFRLANFKPAWGN-UONOGXRCSA-N 1 3 317.437 0.958 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001133896907 765215384 /nfs/dbraw/zinc/21/53/84/765215384.db2.gz UQIBLDRCWHKHOA-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](COCC(=O)NCCNCc1ccnn1C)[NH+]1CCCC1 ZINC001134054460 765312256 /nfs/dbraw/zinc/31/22/56/765312256.db2.gz KGVKROCEIUBSSQ-CQSZACIVSA-N 1 3 323.441 0.127 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnnn1C ZINC001134584603 765580935 /nfs/dbraw/zinc/58/09/35/765580935.db2.gz VMVUQRPWESWNBS-OLZOCXBDSA-N 1 3 322.457 0.672 20 0 DCADHO CNC(=O)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCCC1 ZINC001115574804 765760677 /nfs/dbraw/zinc/76/06/77/765760677.db2.gz RBZIUNKOYFTQMQ-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001124878484 768321213 /nfs/dbraw/zinc/32/12/13/768321213.db2.gz MZKSRGRXZMIESI-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1nncc1CNC1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708214 765801229 /nfs/dbraw/zinc/80/12/29/765801229.db2.gz UOEZQJDJMDOBKD-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135341224 765889385 /nfs/dbraw/zinc/88/93/85/765889385.db2.gz SHVFTPNZMDFSDH-UHFFFAOYSA-N 1 3 320.437 0.592 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H]1CCCNC1=O)C(C)C ZINC001135477305 765949931 /nfs/dbraw/zinc/94/99/31/765949931.db2.gz BCBOBKXCPAZYMF-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001135691348 766050204 /nfs/dbraw/zinc/05/02/04/766050204.db2.gz SMCKYNMWXKICSF-UONOGXRCSA-N 1 3 314.474 0.857 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C2CC2)CC1 ZINC001117614801 766107953 /nfs/dbraw/zinc/10/79/53/766107953.db2.gz QHPTYECFMPXTRH-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(CCCF)C[C@H]2O)CC1 ZINC001090543454 766304653 /nfs/dbraw/zinc/30/46/53/766304653.db2.gz MSQUUFBDVYDBKE-ZIAGYGMSSA-N 1 3 301.406 0.239 20 0 DCADHO CCN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](O)C1 ZINC001090575865 766332179 /nfs/dbraw/zinc/33/21/79/766332179.db2.gz IJEUVJGCGHJBTH-IAGOWNOFSA-N 1 3 319.449 0.976 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCC[C@H](C)C1 ZINC001119427061 766675356 /nfs/dbraw/zinc/67/53/56/766675356.db2.gz DHEHGBSWPSPKLJ-RFQIPJPRSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@]1(C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)NC(=O)NC1=O ZINC001120259635 766950619 /nfs/dbraw/zinc/95/06/19/766950619.db2.gz MMKVLHYSFTYKIS-WBMJQRKESA-N 1 3 308.426 0.686 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCCN2CC(N)=O)C1 ZINC001120430516 767008920 /nfs/dbraw/zinc/00/89/20/767008920.db2.gz LCFYXALYPSSOIF-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[C@H]2CC[N@H+](C)C2)nn1C ZINC001171216340 767017598 /nfs/dbraw/zinc/01/75/98/767017598.db2.gz GQFXCDVXXSHJDC-CQSZACIVSA-N 1 3 307.442 0.666 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1C ZINC001171216340 767017610 /nfs/dbraw/zinc/01/76/10/767017610.db2.gz GQFXCDVXXSHJDC-CQSZACIVSA-N 1 3 307.442 0.666 20 0 DCADHO COc1ccc(CNCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC001171215339 767019334 /nfs/dbraw/zinc/01/93/34/767019334.db2.gz AJRLBFFSYDDSHJ-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO COc1ccc(CNCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001171215339 767019346 /nfs/dbraw/zinc/01/93/46/767019346.db2.gz AJRLBFFSYDDSHJ-ZDUSSCGKSA-N 1 3 321.425 0.423 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120450385 767020274 /nfs/dbraw/zinc/02/02/74/767020274.db2.gz VPEFISVJASMJJE-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001120450385 767020286 /nfs/dbraw/zinc/02/02/86/767020286.db2.gz VPEFISVJASMJJE-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO O[C@H](CNCCCc1nnc2n1CCCC2)C[NH+]1CCCC1 ZINC001120504293 767046809 /nfs/dbraw/zinc/04/68/09/767046809.db2.gz KIVKFIHWSBTBBO-CQSZACIVSA-N 1 3 307.442 0.593 20 0 DCADHO Cc1nocc1CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091365756 767213302 /nfs/dbraw/zinc/21/33/02/767213302.db2.gz YYWSRRPPISMDMP-OWYJLGKBSA-N 1 3 306.410 0.919 20 0 DCADHO Cc1nocc1CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091365756 767213305 /nfs/dbraw/zinc/21/33/05/767213305.db2.gz YYWSRRPPISMDMP-OWYJLGKBSA-N 1 3 306.410 0.919 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCO ZINC001146594344 767485736 /nfs/dbraw/zinc/48/57/36/767485736.db2.gz SKHYOCAIALYYAF-UONOGXRCSA-N 1 3 303.447 0.208 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001146594832 767485425 /nfs/dbraw/zinc/48/54/25/767485425.db2.gz VIMGZDPFEPESCP-OLZOCXBDSA-N 1 3 312.458 0.478 20 0 DCADHO CN1CCN(C)CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC001122378126 767787403 /nfs/dbraw/zinc/78/74/03/767787403.db2.gz UBUNTCYSUFBALJ-INIZCTEOSA-N 1 3 304.438 0.782 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092936359 768427422 /nfs/dbraw/zinc/42/74/22/768427422.db2.gz CRWPEMOERITLNT-BPLDGKMQSA-N 1 3 324.469 0.276 20 0 DCADHO CCCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161226636 768697571 /nfs/dbraw/zinc/69/75/71/768697571.db2.gz MCHOZDLKKCBZEH-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001161226623 768697999 /nfs/dbraw/zinc/69/79/99/768697999.db2.gz LPMBHBDBPUDINF-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc2c(c1)NC(=O)CC2 ZINC001149342706 768735827 /nfs/dbraw/zinc/73/58/27/768735827.db2.gz UGHQTVXGEKBZRS-UHFFFAOYSA-N 1 3 303.366 0.646 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nccn1C ZINC001094220835 768888918 /nfs/dbraw/zinc/88/89/18/768888918.db2.gz YITUTRGHSINSBF-RBSFLKMASA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nccn1C ZINC001094220835 768888931 /nfs/dbraw/zinc/88/89/31/768888931.db2.gz YITUTRGHSINSBF-RBSFLKMASA-N 1 3 319.453 0.556 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(CCCF)CCCO2)C1 ZINC001150589532 769132999 /nfs/dbraw/zinc/13/29/99/769132999.db2.gz VCKVSGPDLXLLNE-HUUCEWRRSA-N 1 3 315.433 0.895 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(CCCF)CCCO2)C1 ZINC001150589532 769133004 /nfs/dbraw/zinc/13/30/04/769133004.db2.gz VCKVSGPDLXLLNE-HUUCEWRRSA-N 1 3 315.433 0.895 20 0 DCADHO CCn1nc2c(c1C(=O)N(CCCC[NH3+])C(=N)N)CCCC2 ZINC001150853860 769206654 /nfs/dbraw/zinc/20/66/54/769206654.db2.gz RCIQCYJLJUMXLG-UHFFFAOYSA-N 1 3 306.414 0.856 20 0 DCADHO CNC(=O)c1cccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001151065861 769250342 /nfs/dbraw/zinc/25/03/42/769250342.db2.gz NUEGFIZKIPAYBA-OAHLLOKOSA-N 1 3 318.421 0.204 20 0 DCADHO CNC(=O)c1cccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001151065861 769250350 /nfs/dbraw/zinc/25/03/50/769250350.db2.gz NUEGFIZKIPAYBA-OAHLLOKOSA-N 1 3 318.421 0.204 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)NCCNCC(=O)N1CCC1 ZINC001151355200 769321785 /nfs/dbraw/zinc/32/17/85/769321785.db2.gz ZLNSCVOMWNONBE-UHFFFAOYSA-N 1 3 310.442 0.191 20 0 DCADHO CS(=O)(=O)N1CCC(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001206156403 769429104 /nfs/dbraw/zinc/42/91/04/769429104.db2.gz QMYXEVGILQZYLG-QWHCGFSZSA-N 1 3 307.435 0.419 20 0 DCADHO COCCC[NH+]1CCC(NCCOCCOCCOC)CC1 ZINC001172245638 769463804 /nfs/dbraw/zinc/46/38/04/769463804.db2.gz ZOBWBNKKNVBVOG-UHFFFAOYSA-N 1 3 318.458 0.757 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152236812 769513477 /nfs/dbraw/zinc/51/34/77/769513477.db2.gz FDUWSQLPEOAJPE-UHFFFAOYSA-N 1 3 306.410 0.156 20 0 DCADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CCn2cccn2)c1 ZINC001152245810 769514077 /nfs/dbraw/zinc/51/40/77/769514077.db2.gz MQYFFEACMNRKGF-UHFFFAOYSA-N 1 3 315.421 0.964 20 0 DCADHO CC[N@@H+]1CC[C@@H](n2nc(C(=O)NC(C)C)c3c2CCNC3)C1 ZINC001173363578 769609190 /nfs/dbraw/zinc/60/91/90/769609190.db2.gz PEDNGFVRKGFLNX-GFCCVEGCSA-N 1 3 305.426 0.934 20 0 DCADHO CC[N@H+]1CC[C@@H](n2nc(C(=O)NC(C)C)c3c2CCNC3)C1 ZINC001173363578 769609196 /nfs/dbraw/zinc/60/91/96/769609196.db2.gz PEDNGFVRKGFLNX-GFCCVEGCSA-N 1 3 305.426 0.934 20 0 DCADHO CO[C@H](C)CN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240903 769698163 /nfs/dbraw/zinc/69/81/63/769698163.db2.gz JCQHEKSUOXJIQQ-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO c1cc2n(c1CN1CCOC[C@@]3(CCC[NH2+]C3)C1)CCNC2 ZINC001235005700 769740595 /nfs/dbraw/zinc/74/05/95/769740595.db2.gz DZFXIUCOVYWIKY-QGZVFWFLSA-N 1 3 304.438 0.793 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001174691379 769779914 /nfs/dbraw/zinc/77/99/14/769779914.db2.gz JOFUPPQZSQHFHB-LBPRGKRZSA-N 1 3 317.397 0.136 20 0 DCADHO CC(C)(C)OC(=O)NCCN1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235369560 769825350 /nfs/dbraw/zinc/82/53/50/769825350.db2.gz SIZKOWQWEAVVOF-WOSRLPQWSA-N 1 3 311.426 0.964 20 0 DCADHO CO[C@@H]1CCN(C[C@H](C)[NH3+])[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001235537115 769879460 /nfs/dbraw/zinc/87/94/60/769879460.db2.gz MHJJBKSWLKNNCD-QMCVQRASSA-N 1 3 304.438 0.950 20 0 DCADHO C[C@H]([NH3+])CN1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001235610996 769907814 /nfs/dbraw/zinc/90/78/14/769907814.db2.gz KGDMWOSMIMCMFK-USXIJHARSA-N 1 3 304.438 0.952 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+][C@H]1CCNC1=O ZINC001175769629 769959588 /nfs/dbraw/zinc/95/95/88/769959588.db2.gz SLSUIALZGCNUKY-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3csc(N)n3)C[C@H]1C2 ZINC001236025941 769970480 /nfs/dbraw/zinc/97/04/80/769970480.db2.gz GMDVCQPTGGTRBQ-FQMFCJFBSA-N 1 3 322.434 0.556 20 0 DCADHO O=S(=O)(Nc1ccc2c(c1)CNCCO2)C1CC[NH2+]CC1 ZINC001237719400 770074177 /nfs/dbraw/zinc/07/41/77/770074177.db2.gz ROJGQLVERQISMD-UHFFFAOYSA-N 1 3 311.407 0.662 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)Cc1cc(F)ccc1F ZINC001238879923 770141745 /nfs/dbraw/zinc/14/17/45/770141745.db2.gz YMTPEAMVKJNYKA-UHFFFAOYSA-N 1 3 321.393 0.713 20 0 DCADHO NCCS(=O)(=O)N1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001238994491 770165308 /nfs/dbraw/zinc/16/53/08/770165308.db2.gz JZJAVTQGQBSQQB-UHFFFAOYSA-N 1 3 303.472 0.911 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176753225 770167808 /nfs/dbraw/zinc/16/78/08/770167808.db2.gz DBISTLMBKLTGBS-CABCVRRESA-N 1 3 317.474 0.599 20 0 DCADHO CC[NH+](CC)CCCNC(=S)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239452905 770223339 /nfs/dbraw/zinc/22/33/39/770223339.db2.gz SIPUSDUSSAIXCT-VXGBXAGGSA-N 1 3 316.471 0.025 20 0 DCADHO CN1CCC(NC(=O)c2ccc(C3=CCC[NH2+]C3)nn2)CC1 ZINC001240656869 770254796 /nfs/dbraw/zinc/25/47/96/770254796.db2.gz LTDVONQEROVDCA-UHFFFAOYSA-N 1 3 301.394 0.677 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972170 770264229 /nfs/dbraw/zinc/26/42/29/770264229.db2.gz PGWPVTBWZAHCJQ-UHFFFAOYSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001176975191 770266373 /nfs/dbraw/zinc/26/63/73/770266373.db2.gz LYVOMDYOQZFILV-GFCCVEGCSA-N 1 3 307.385 0.847 20 0 DCADHO CCN(C(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C)C1CC1 ZINC001176986273 770274790 /nfs/dbraw/zinc/27/47/90/770274790.db2.gz JCLNGGVFWLUVKU-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226386 770439440 /nfs/dbraw/zinc/43/94/40/770439440.db2.gz KIUXKUBUDPUXPJ-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226386 770439445 /nfs/dbraw/zinc/43/94/45/770439445.db2.gz KIUXKUBUDPUXPJ-ZNMIVQPWSA-N 1 3 315.458 0.305 20 0 DCADHO COc1ncc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)c(C)n1 ZINC001155790780 770618421 /nfs/dbraw/zinc/61/84/21/770618421.db2.gz NLHRNVIYDQKIGP-CQSZACIVSA-N 1 3 321.425 0.484 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178688467 770834387 /nfs/dbraw/zinc/83/43/87/770834387.db2.gz JNJBEKYRLGVSHH-UHFFFAOYSA-N 1 3 312.458 0.483 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+][C@H](C)C(N)=O ZINC001178853429 770882682 /nfs/dbraw/zinc/88/26/82/770882682.db2.gz JHLDQWUJEOFQTA-CYBMUJFWSA-N 1 3 314.474 0.857 20 0 DCADHO CC[C@H](C(=O)NCCCCCC[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001178815890 770883995 /nfs/dbraw/zinc/88/39/95/770883995.db2.gz NHIMWCAHJNNGAQ-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178925003 770893588 /nfs/dbraw/zinc/89/35/88/770893588.db2.gz AFRARXSULQLJBV-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001178925003 770893595 /nfs/dbraw/zinc/89/35/95/770893595.db2.gz AFRARXSULQLJBV-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)C(=O)N(C)C ZINC001178902207 770898450 /nfs/dbraw/zinc/89/84/50/770898450.db2.gz FRBLEDAKKYCFQD-IPYPFGDCSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)C(=O)N(C)C ZINC001178902208 770898625 /nfs/dbraw/zinc/89/86/25/770898625.db2.gz FRBLEDAKKYCFQD-YDHLFZDLSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001178902406 770899330 /nfs/dbraw/zinc/89/93/30/770899330.db2.gz PFBMFIQQIAPXPU-WFASDCNBSA-N 1 3 322.453 0.328 20 0 DCADHO COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001179179286 770953796 /nfs/dbraw/zinc/95/37/96/770953796.db2.gz PFUZDQGAKIJMCK-MLURZJSDSA-N 1 3 323.437 0.075 20 0 DCADHO CN(C)C(=O)CN1CCO[C@@H]2CN(Cc3ccoc3)CC[C@@H]2C1 ZINC001204241773 770986466 /nfs/dbraw/zinc/98/64/66/770986466.db2.gz NQPDXSJNYUQVOZ-HZPDHXFCSA-N 1 3 321.421 0.891 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3ccoc3)CC[C@@H]2C1 ZINC001204241773 770986483 /nfs/dbraw/zinc/98/64/83/770986483.db2.gz NQPDXSJNYUQVOZ-HZPDHXFCSA-N 1 3 321.421 0.891 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3ccoc3)CC[C@@H]2C1 ZINC001204241773 770986496 /nfs/dbraw/zinc/98/64/96/770986496.db2.gz NQPDXSJNYUQVOZ-HZPDHXFCSA-N 1 3 321.421 0.891 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179431358 771003315 /nfs/dbraw/zinc/00/33/15/771003315.db2.gz WLCFQIUJNRBVLM-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1cc(CNCCCCCCNC(=O)CC[NH+](C)C)nn1 ZINC001179461739 771009180 /nfs/dbraw/zinc/00/91/80/771009180.db2.gz ZPCYFLFJSZVAOY-UHFFFAOYSA-N 1 3 310.446 0.533 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC(=O)NCC ZINC001180123203 771065554 /nfs/dbraw/zinc/06/55/54/771065554.db2.gz APMQHHGDCJAQQF-UHFFFAOYSA-N 1 3 314.474 0.731 20 0 DCADHO CCCN(C)CC(=O)NCCCCCC[NH2+][C@@H](CC)C(N)=O ZINC001180123266 771065809 /nfs/dbraw/zinc/06/58/09/771065809.db2.gz DLQAIPGZTLKHEW-AWEZNQCLSA-N 1 3 314.474 0.858 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001180211556 771074847 /nfs/dbraw/zinc/07/48/47/771074847.db2.gz LORQAYIPDSABSJ-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1cnnn1C ZINC001180369548 771114363 /nfs/dbraw/zinc/11/43/63/771114363.db2.gz LCKHZQSHHFAYOI-UHFFFAOYSA-N 1 3 324.473 0.922 20 0 DCADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN(C)C2CCCC2)O1 ZINC001180629855 771150751 /nfs/dbraw/zinc/15/07/51/771150751.db2.gz BPXQZDXBBMLFPG-IIAWOOMASA-N 1 3 313.442 0.702 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073012 771386081 /nfs/dbraw/zinc/38/60/81/771386081.db2.gz CXCOSLQWEIQMFL-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073012 771386087 /nfs/dbraw/zinc/38/60/87/771386087.db2.gz CXCOSLQWEIQMFL-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1(COC)CCOCC1 ZINC001182436644 771478982 /nfs/dbraw/zinc/47/89/82/771478982.db2.gz PCYOBXVQFHGOJO-UHFFFAOYSA-N 1 3 314.430 0.493 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473493 771497590 /nfs/dbraw/zinc/49/75/90/771497590.db2.gz RWDDMEMMVPPPAK-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473493 771497593 /nfs/dbraw/zinc/49/75/93/771497593.db2.gz RWDDMEMMVPPPAK-HUUCEWRRSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CC2)CC1 ZINC001182601908 771520749 /nfs/dbraw/zinc/52/07/49/771520749.db2.gz QQXPTUFNEYBZJI-JOCQHMNTSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267235 771631123 /nfs/dbraw/zinc/63/11/23/771631123.db2.gz KDPDRIZQRPJITO-ZBFHGGJFSA-N 1 3 324.469 0.289 20 0 DCADHO COc1ccccc1[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001157579311 771635473 /nfs/dbraw/zinc/63/54/73/771635473.db2.gz LMCAMHFFVRWAEF-UKRRQHHQSA-N 1 3 315.417 0.820 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001157720558 771658784 /nfs/dbraw/zinc/65/87/84/771658784.db2.gz LUWADCZIBGMCIN-ULQDDVLXSA-N 1 3 317.433 0.827 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@](F)(CO)CC1 ZINC001157936161 771697563 /nfs/dbraw/zinc/69/75/63/771697563.db2.gz YFLWLCDFYDBLBV-DZGCQCFKSA-N 1 3 313.417 0.574 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@](F)(CO)CC1 ZINC001157936161 771697564 /nfs/dbraw/zinc/69/75/64/771697564.db2.gz YFLWLCDFYDBLBV-DZGCQCFKSA-N 1 3 313.417 0.574 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183827107 771711084 /nfs/dbraw/zinc/71/10/84/771711084.db2.gz VJHYNCQDDYDJBS-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183827107 771711089 /nfs/dbraw/zinc/71/10/89/771711089.db2.gz VJHYNCQDDYDJBS-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158030247 771716182 /nfs/dbraw/zinc/71/61/82/771716182.db2.gz RHSNYXIMVDVJEF-CABCVRRESA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158030247 771716185 /nfs/dbraw/zinc/71/61/85/771716185.db2.gz RHSNYXIMVDVJEF-CABCVRRESA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)n1 ZINC001158036661 771716937 /nfs/dbraw/zinc/71/69/37/771716937.db2.gz FAIDLSKJEFYDFC-HOCLYGCPSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)n1 ZINC001158036661 771716941 /nfs/dbraw/zinc/71/69/41/771716941.db2.gz FAIDLSKJEFYDFC-HOCLYGCPSA-N 1 3 319.453 0.890 20 0 DCADHO NC1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC001158070681 771721542 /nfs/dbraw/zinc/72/15/42/771721542.db2.gz NICZDXAUSWLPCK-UHFFFAOYSA-N 1 3 315.417 0.464 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161223 771731712 /nfs/dbraw/zinc/73/17/12/771731712.db2.gz NWCPZNWQHHESKB-XEZPLFJOSA-N 1 3 308.426 0.069 20 0 DCADHO O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170186 771733737 /nfs/dbraw/zinc/73/37/37/771733737.db2.gz WRQZTRHSQDWAEO-PBHICJAKSA-N 1 3 307.438 0.890 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158180235 771735494 /nfs/dbraw/zinc/73/54/94/771735494.db2.gz WAPFTIVWMNHMJH-FRRDWIJNSA-N 1 3 302.378 0.247 20 0 DCADHO O=C([C@H]1CCC2(C[NH2+]C2)O1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327681 771760559 /nfs/dbraw/zinc/76/05/59/771760559.db2.gz MKGASRZSOSCPSL-ARFHVFGLSA-N 1 3 313.401 0.605 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2ccn(C)n2)CC[N@@H+]1C ZINC001158403936 771769152 /nfs/dbraw/zinc/76/91/52/771769152.db2.gz NLYWMCVYNVTTJA-LSDHHAIUSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2ccn(C)n2)CC[N@H+]1C ZINC001158403936 771769156 /nfs/dbraw/zinc/76/91/56/771769156.db2.gz NLYWMCVYNVTTJA-LSDHHAIUSA-N 1 3 307.442 0.746 20 0 DCADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1CCC[C@H]1[NH3+])CC2 ZINC001158891125 771831460 /nfs/dbraw/zinc/83/14/60/771831460.db2.gz UDDZYMTUDQAHJX-ZIAGYGMSSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184877093 771840706 /nfs/dbraw/zinc/84/07/06/771840706.db2.gz RHZNNJLJDCXVTC-RBSFLKMASA-N 1 3 324.469 0.526 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001159155707 771867402 /nfs/dbraw/zinc/86/74/02/771867402.db2.gz TTWSINFVEYBYKT-CYBMUJFWSA-N 1 3 314.409 0.091 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](F)CN(CC)CC ZINC001159154717 771867450 /nfs/dbraw/zinc/86/74/50/771867450.db2.gz BPQVDDUILYYNIL-CYBMUJFWSA-N 1 3 318.437 0.241 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CCO ZINC001185169752 771872899 /nfs/dbraw/zinc/87/28/99/771872899.db2.gz MRDNSSAZVCLRKD-GJZGRUSLSA-N 1 3 311.470 0.785 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001185221651 771880298 /nfs/dbraw/zinc/88/02/98/771880298.db2.gz LYLSGMCRYHGFNV-CQSZACIVSA-N 1 3 305.426 0.452 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401563 771911783 /nfs/dbraw/zinc/91/17/83/771911783.db2.gz SGONTVWSXYBOAU-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)CC1 ZINC001185401874 771911959 /nfs/dbraw/zinc/91/19/59/771911959.db2.gz XPGZBLBTZWPBCT-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659044 771940742 /nfs/dbraw/zinc/94/07/42/771940742.db2.gz CCEKDWRQFTVRAD-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659044 771940747 /nfs/dbraw/zinc/94/07/47/771940747.db2.gz CCEKDWRQFTVRAD-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001185659683 771941260 /nfs/dbraw/zinc/94/12/60/771941260.db2.gz OEMZMJUGSQDMLY-CZUORRHYSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](C[NH3+])C(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668144 771941585 /nfs/dbraw/zinc/94/15/85/771941585.db2.gz WLBYDYGBCCVTBZ-NUEKZKHPSA-N 1 3 318.421 0.478 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCCNCc1cnnn1C ZINC001159907638 771974523 /nfs/dbraw/zinc/97/45/23/771974523.db2.gz CHGREGXBPGPDCH-CQSZACIVSA-N 1 3 322.457 0.674 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCCNCc1cnnn1C ZINC001159907638 771974526 /nfs/dbraw/zinc/97/45/26/771974526.db2.gz CHGREGXBPGPDCH-CQSZACIVSA-N 1 3 322.457 0.674 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159931627 771979895 /nfs/dbraw/zinc/97/98/95/771979895.db2.gz HENXJPBMARNARG-JSGCOSHPSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1ccon1)C1CC1 ZINC001159931585 771980331 /nfs/dbraw/zinc/98/03/31/771980331.db2.gz FVTFSLMKJJRENQ-AWEZNQCLSA-N 1 3 323.397 0.049 20 0 DCADHO Cc1cnc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cn1 ZINC001159932976 771980774 /nfs/dbraw/zinc/98/07/74/771980774.db2.gz XFVHHUPCLKOILP-HNNXBMFYSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCNC(=O)CN(C)C2CCC2)C1=O ZINC001160003130 771986760 /nfs/dbraw/zinc/98/67/60/771986760.db2.gz DPVZRIOUELXLDR-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379555 772030256 /nfs/dbraw/zinc/03/02/56/772030256.db2.gz IOGUKADCLYBBKG-CQSZACIVSA-N 1 3 309.454 0.990 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379555 772030262 /nfs/dbraw/zinc/03/02/62/772030262.db2.gz IOGUKADCLYBBKG-CQSZACIVSA-N 1 3 309.454 0.990 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001186355631 772032463 /nfs/dbraw/zinc/03/24/63/772032463.db2.gz KFOKKURLVCCABC-OAHLLOKOSA-N 1 3 318.421 0.298 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCc1cnn(C)c1)N(C)C ZINC001160427067 772035478 /nfs/dbraw/zinc/03/54/78/772035478.db2.gz MJIGTETZTHMVKW-HNNXBMFYSA-N 1 3 309.458 0.645 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC001160453540 772042542 /nfs/dbraw/zinc/04/25/42/772042542.db2.gz AMBQENNZDRJKEX-WFASDCNBSA-N 1 3 312.458 0.276 20 0 DCADHO C[NH2+]CC1CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)CC1 ZINC001160459999 772043111 /nfs/dbraw/zinc/04/31/11/772043111.db2.gz VLGHOIMOYZCNJA-JSGCOSHPSA-N 1 3 312.458 0.323 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460702 772043548 /nfs/dbraw/zinc/04/35/48/772043548.db2.gz CWPKLEDAIDFCDO-LSDHHAIUSA-N 1 3 305.426 0.756 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460702 772043552 /nfs/dbraw/zinc/04/35/52/772043552.db2.gz CWPKLEDAIDFCDO-LSDHHAIUSA-N 1 3 305.426 0.756 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001186497003 772046687 /nfs/dbraw/zinc/04/66/87/772046687.db2.gz WDVPAEBVHJUQRO-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(CC)CC)C1)C(N)=O ZINC001186496767 772046788 /nfs/dbraw/zinc/04/67/88/772046788.db2.gz QCEABLZQDOGRDW-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC[C@@H]1Cc1ccccn1 ZINC001160545816 772063153 /nfs/dbraw/zinc/06/31/53/772063153.db2.gz UYVHDWOBSFJQIG-KGLIPLIRSA-N 1 3 308.451 0.634 20 0 DCADHO O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CCN2CCC1CC2 ZINC001160725472 772103488 /nfs/dbraw/zinc/10/34/88/772103488.db2.gz ASQQVRTYOOUWKL-WMLDXEAASA-N 1 3 307.438 0.842 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160866312 772128089 /nfs/dbraw/zinc/12/80/89/772128089.db2.gz ANUMFPCPGGJGPB-DZGCQCFKSA-N 1 3 320.441 0.428 20 0 DCADHO Cn1nncc1CNCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160866312 772128094 /nfs/dbraw/zinc/12/80/94/772128094.db2.gz ANUMFPCPGGJGPB-DZGCQCFKSA-N 1 3 320.441 0.428 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106823 772131820 /nfs/dbraw/zinc/13/18/20/772131820.db2.gz MWOODGPBRHOHBG-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106823 772131823 /nfs/dbraw/zinc/13/18/23/772131823.db2.gz MWOODGPBRHOHBG-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122633 772138258 /nfs/dbraw/zinc/13/82/58/772138258.db2.gz XGZDPMNZMZEYTG-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@@H](N[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)C1=O ZINC001187231167 772149979 /nfs/dbraw/zinc/14/99/79/772149979.db2.gz HEQPKFZULONOAF-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC(C(N)=S)CC1 ZINC001161031258 772155202 /nfs/dbraw/zinc/15/52/02/772155202.db2.gz YEVMHKWAQVGZAU-LBPRGKRZSA-N 1 3 300.472 0.570 20 0 DCADHO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)[C@@H]1C ZINC001161117538 772171341 /nfs/dbraw/zinc/17/13/41/772171341.db2.gz MUBWCEMEEIHKDH-MGPQQGTHSA-N 1 3 323.437 0.661 20 0 DCADHO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)[C@@H]1C ZINC001161117538 772171344 /nfs/dbraw/zinc/17/13/44/772171344.db2.gz MUBWCEMEEIHKDH-MGPQQGTHSA-N 1 3 323.437 0.661 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001187306112 772172139 /nfs/dbraw/zinc/17/21/39/772172139.db2.gz DAGUFOUEGHGZQM-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001187306112 772172144 /nfs/dbraw/zinc/17/21/44/772172144.db2.gz DAGUFOUEGHGZQM-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161299200 772199168 /nfs/dbraw/zinc/19/91/68/772199168.db2.gz STXNXJDUXWENFC-AWEZNQCLSA-N 1 3 324.469 0.753 20 0 DCADHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001161306395 772200476 /nfs/dbraw/zinc/20/04/76/772200476.db2.gz KDQISGBPTFCYDP-XMHCIUCPSA-N 1 3 324.450 0.135 20 0 DCADHO Cc1cnccc1O[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001161386009 772215093 /nfs/dbraw/zinc/21/50/93/772215093.db2.gz DRZPLIXLTCIDFG-KGLIPLIRSA-N 1 3 306.410 0.826 20 0 DCADHO COc1ccc([C@@H](N)CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC001161413906 772219715 /nfs/dbraw/zinc/21/97/15/772219715.db2.gz RWAYBHVEFXRGER-FQUUOJAGSA-N 1 3 304.394 0.676 20 0 DCADHO CN(C)CCN(C(=O)Cc1cccc(N)n1)[C@H]1CCC[NH2+]C1 ZINC001161442777 772223773 /nfs/dbraw/zinc/22/37/73/772223773.db2.gz GRMQZDXGSRPZIZ-AWEZNQCLSA-N 1 3 305.426 0.349 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC1CCCC1)CC2 ZINC001161476835 772230275 /nfs/dbraw/zinc/23/02/75/772230275.db2.gz FCSPZHNFBHWPIR-ZQIUZPCESA-N 1 3 323.437 0.648 20 0 DCADHO CC(C)(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842431 772232727 /nfs/dbraw/zinc/23/27/27/772232727.db2.gz MORLFWYEIBUOIR-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CO[C@@H]1CN(C(=O)[C@@H](N)CCOCc2ccccc2)C[C@@H]1[NH3+] ZINC001161492657 772233625 /nfs/dbraw/zinc/23/36/25/772233625.db2.gz UGQSQECGZHZIRS-SOUVJXGZSA-N 1 3 307.394 0.105 20 0 DCADHO CN(C1CN(C(=O)c2ccc([C@H](N)C[NH3+])cc2)C1)[C@H]1CCOC1 ZINC001161498323 772234870 /nfs/dbraw/zinc/23/48/70/772234870.db2.gz DZUKDGIMZHCWDL-GOEBONIOSA-N 1 3 318.421 0.190 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921797 772249580 /nfs/dbraw/zinc/24/95/80/772249580.db2.gz YBNNCTIWNZPFPF-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCOCCN1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187944494 772251327 /nfs/dbraw/zinc/25/13/27/772251327.db2.gz JOEJGWHPMQBHMZ-YESZJQIVSA-N 1 3 321.465 0.897 20 0 DCADHO O=C(C[C@H]1CNCCO1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161596050 772251688 /nfs/dbraw/zinc/25/16/88/772251688.db2.gz XNQLGNYPFONMDR-HNNXBMFYSA-N 1 3 315.417 0.986 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)C1=O ZINC001188158514 772277319 /nfs/dbraw/zinc/27/73/19/772277319.db2.gz RCLLZZAPHOVLNY-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001161952352 772306446 /nfs/dbraw/zinc/30/64/46/772306446.db2.gz HCHYBUWBRGLJCH-MRXNPFEDSA-N 1 3 309.454 0.992 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161952352 772306452 /nfs/dbraw/zinc/30/64/52/772306452.db2.gz HCHYBUWBRGLJCH-MRXNPFEDSA-N 1 3 309.454 0.992 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(S(N)(=O)=O)cn1 ZINC001163127039 772468716 /nfs/dbraw/zinc/46/87/16/772468716.db2.gz XMZSRPXFPFWUHI-UHFFFAOYSA-N 1 3 314.415 0.007 20 0 DCADHO CCOC(=O)c1nccc(NC(=[NH2+])NCCN(CC)CC)n1 ZINC001163129430 772468747 /nfs/dbraw/zinc/46/87/47/772468747.db2.gz XPRGIZBHIRTYJH-UHFFFAOYSA-N 1 3 308.386 0.353 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(S(C)(=O)=O)cn1 ZINC001163128181 772468905 /nfs/dbraw/zinc/46/89/05/772468905.db2.gz CXXKKMYULVVTDN-UHFFFAOYSA-N 1 3 313.427 0.763 20 0 DCADHO CN1CCOc2c1cnnc2NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163278274 772498338 /nfs/dbraw/zinc/49/83/38/772498338.db2.gz IMKJSYFUGUKUBY-WBMJQRKESA-N 1 3 319.409 0.876 20 0 DCADHO CNC(=O)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457642 772514428 /nfs/dbraw/zinc/51/44/28/772514428.db2.gz IKILZZJTZSLLMW-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CCOCCN(C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190222002 772603153 /nfs/dbraw/zinc/60/31/53/772603153.db2.gz WLELSKHWSOLMAR-HOTGVXAUSA-N 1 3 309.454 0.897 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)CCOC)C1 ZINC001190443937 772626109 /nfs/dbraw/zinc/62/61/09/772626109.db2.gz LPPBJFAVGZRJIO-KBPBESRZSA-N 1 3 303.422 0.845 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)CCOC)C1 ZINC001190443937 772626111 /nfs/dbraw/zinc/62/61/11/772626111.db2.gz LPPBJFAVGZRJIO-KBPBESRZSA-N 1 3 303.422 0.845 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001165263440 772712890 /nfs/dbraw/zinc/71/28/90/772712890.db2.gz PLWWHKQVEYSQJA-UHFFFAOYSA-N 1 3 307.442 0.841 20 0 DCADHO Clc1cc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c2c(n1)CNCC2 ZINC001165274063 772714479 /nfs/dbraw/zinc/71/44/79/772714479.db2.gz FHUVAMDKINEINL-FZMZJTMJSA-N 1 3 308.813 0.948 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004597 772777891 /nfs/dbraw/zinc/77/78/91/772777891.db2.gz TWPMNYHNHPVUAY-UKRRQHHQSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001166010901 772778767 /nfs/dbraw/zinc/77/87/67/772778767.db2.gz USGSRPBFIKNTIU-CYBMUJFWSA-N 1 3 321.487 0.103 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001166010185 772778796 /nfs/dbraw/zinc/77/87/96/772778796.db2.gz JZBGLYLTAODAMM-UONOGXRCSA-N 1 3 314.474 0.713 20 0 DCADHO CCN(CC)C(=O)C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166668289 772836887 /nfs/dbraw/zinc/83/68/87/772836887.db2.gz XYKJRSAJOSUHBW-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001166676760 772838288 /nfs/dbraw/zinc/83/82/88/772838288.db2.gz BWOLGUNTQDZOKD-OLZOCXBDSA-N 1 3 319.396 0.848 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)C1=O ZINC001166678863 772840269 /nfs/dbraw/zinc/84/02/69/772840269.db2.gz WZFKPZMEKBSGIP-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(N)=O ZINC001166687476 772841100 /nfs/dbraw/zinc/84/11/00/772841100.db2.gz SOJKTFXRDGYMFQ-NHYWBVRUSA-N 1 3 316.421 0.169 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166691081 772841535 /nfs/dbraw/zinc/84/15/35/772841535.db2.gz KHGGYLAIDWUKKC-PWSUYJOCSA-N 1 3 311.455 0.640 20 0 DCADHO Cc1nnsc1CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166691081 772841537 /nfs/dbraw/zinc/84/15/37/772841537.db2.gz KHGGYLAIDWUKKC-PWSUYJOCSA-N 1 3 311.455 0.640 20 0 DCADHO CN(CC(=O)NCCC[NH2+]Cc1cncn1C)CC(C)(C)C ZINC001166744418 772855711 /nfs/dbraw/zinc/85/57/11/772855711.db2.gz VTSCBWTVCQRSLS-UHFFFAOYSA-N 1 3 309.458 0.994 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCC(C)C)N(C)C ZINC001166851544 772870575 /nfs/dbraw/zinc/87/05/75/772870575.db2.gz CPAAGURNBGBACD-KBPBESRZSA-N 1 3 314.474 0.583 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(OC)nc(OC)c1 ZINC001192428170 772915765 /nfs/dbraw/zinc/91/57/65/772915765.db2.gz RRZLZTRDNXGLCP-UHFFFAOYSA-N 1 3 323.397 0.776 20 0 DCADHO O=C(C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1)NCC1CC1 ZINC001203704969 772920241 /nfs/dbraw/zinc/92/02/41/772920241.db2.gz JLVVLFXUMAINJI-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203790983 772924545 /nfs/dbraw/zinc/92/45/45/772924545.db2.gz BFCNTWAJZFOLPT-KBPBESRZSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204799284 772962544 /nfs/dbraw/zinc/96/25/44/772962544.db2.gz VSZQLEKVXUADOW-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457695 772993734 /nfs/dbraw/zinc/99/37/34/772993734.db2.gz LNBIKEJKDAUHKV-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490797 772995897 /nfs/dbraw/zinc/99/58/97/772995897.db2.gz ZRRNMGWNZNTBCW-HNNXBMFYSA-N 1 3 312.458 0.147 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC001193279551 773037747 /nfs/dbraw/zinc/03/77/47/773037747.db2.gz OZSAOKZZQMYDOQ-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC001193279551 773037750 /nfs/dbraw/zinc/03/77/50/773037750.db2.gz OZSAOKZZQMYDOQ-AWEZNQCLSA-N 1 3 308.430 0.153 20 0 DCADHO CC[C@@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001206275143 773061700 /nfs/dbraw/zinc/06/17/00/773061700.db2.gz OFPRFLDQOPRKPP-UKRRQHHQSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001206890311 773121855 /nfs/dbraw/zinc/12/18/55/773121855.db2.gz LGJGZZVZTUZHBT-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203791952 773168925 /nfs/dbraw/zinc/16/89/25/773168925.db2.gz MJXXIBUSFXTBFP-UONOGXRCSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1 ZINC001194294306 773178777 /nfs/dbraw/zinc/17/87/77/773178777.db2.gz LLITUAGFHWBWFX-MRXNPFEDSA-N 1 3 321.469 0.836 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC001194294306 773178779 /nfs/dbraw/zinc/17/87/79/773178779.db2.gz LLITUAGFHWBWFX-MRXNPFEDSA-N 1 3 321.469 0.836 20 0 DCADHO C(c1noc2c1CN(CC1CC[NH2+]CC1)CC2)N1CCOCC1 ZINC001207435025 773204926 /nfs/dbraw/zinc/20/49/26/773204926.db2.gz DPHXDWWSSJFDRU-UHFFFAOYSA-N 1 3 320.437 0.865 20 0 DCADHO c1ncc(O[C@H]2C[C@H]3CN(CC4CC[NH2+]CC4)CCN3C2)cn1 ZINC001207435348 773206145 /nfs/dbraw/zinc/20/61/45/773206145.db2.gz MCSBQNSWWWCOCC-HOTGVXAUSA-N 1 3 317.437 0.614 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001207687691 773270350 /nfs/dbraw/zinc/27/03/50/773270350.db2.gz ILYPYRGGCUSNHT-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCN(CCC[NH2+][C@H](CO)[C@@H]2CCCOC2)CC1 ZINC001195137337 773333663 /nfs/dbraw/zinc/33/36/63/773333663.db2.gz SEYJDUAKTXMCKC-IAGOWNOFSA-N 1 3 313.486 0.780 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070781 773394760 /nfs/dbraw/zinc/39/47/60/773394760.db2.gz RNIVMYMWJRILTL-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070781 773394766 /nfs/dbraw/zinc/39/47/66/773394766.db2.gz RNIVMYMWJRILTL-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC)C1 ZINC001208279365 773422295 /nfs/dbraw/zinc/42/22/95/773422295.db2.gz OLHAELZFWBITFU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC(=O)NCC)C1 ZINC001208279365 773422299 /nfs/dbraw/zinc/42/22/99/773422299.db2.gz OLHAELZFWBITFU-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1)[NH+](C)C ZINC001208373966 773446188 /nfs/dbraw/zinc/44/61/88/773446188.db2.gz SUXHYFCHVPUMEF-HOCLYGCPSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677824 773456151 /nfs/dbraw/zinc/45/61/51/773456151.db2.gz UWGVWAOGPURSSS-HUUCEWRRSA-N 1 3 311.470 0.926 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@H]1O ZINC001195701396 773465184 /nfs/dbraw/zinc/46/51/84/773465184.db2.gz MBUJFEBOVCZBCV-IAGOWNOFSA-N 1 3 319.449 0.732 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@H]1O ZINC001195859026 773485899 /nfs/dbraw/zinc/48/58/99/773485899.db2.gz BFKGNDFAJNEJCI-JHJVBQTASA-N 1 3 319.396 0.535 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(C[C@@H](C)C(=O)OC)CC[C@@H]2C1 ZINC001208713371 773517674 /nfs/dbraw/zinc/51/76/74/773517674.db2.gz DKMWEPLSWZDNRD-RBSFLKMASA-N 1 3 314.426 0.465 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(C[C@@H](C)C(=O)OC)CC[C@@H]2C1 ZINC001208713371 773517679 /nfs/dbraw/zinc/51/76/79/773517679.db2.gz DKMWEPLSWZDNRD-RBSFLKMASA-N 1 3 314.426 0.465 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC1 ZINC001209276715 773581041 /nfs/dbraw/zinc/58/10/41/773581041.db2.gz BXISTTMXZFXHAR-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209302968 773587818 /nfs/dbraw/zinc/58/78/18/773587818.db2.gz IAKMVLQOELCFJA-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001209323523 773590867 /nfs/dbraw/zinc/59/08/67/773590867.db2.gz JEUXYUWRWWLKIX-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC(=O)NCC2CCC2)C1 ZINC001209420803 773604152 /nfs/dbraw/zinc/60/41/52/773604152.db2.gz WUHHOXKTZKATLY-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445105 773605507 /nfs/dbraw/zinc/60/55/07/773605507.db2.gz KXJBFBNOZLEBNZ-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209446774 773606519 /nfs/dbraw/zinc/60/65/19/773606519.db2.gz VEKSNBKRQAUWAW-OAHLLOKOSA-N 1 3 307.442 0.761 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](NCC(=O)NC)C1)[NH+](CC)CC ZINC001209589297 773623306 /nfs/dbraw/zinc/62/33/06/773623306.db2.gz NGXHOPJZJVSKOT-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO COCCOCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001209837345 773652058 /nfs/dbraw/zinc/65/20/58/773652058.db2.gz PQNXMBGGQJCYCL-ZDUSSCGKSA-N 1 3 310.398 0.196 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(NC(C)=O)c[nH]1 ZINC001196893966 773665205 /nfs/dbraw/zinc/66/52/05/773665205.db2.gz SSQCDAVSGZPSLV-UHFFFAOYSA-N 1 3 308.386 0.651 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001210216859 773685980 /nfs/dbraw/zinc/68/59/80/773685980.db2.gz AMNMSKSISPBYNR-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001210782103 773736458 /nfs/dbraw/zinc/73/64/58/773736458.db2.gz IOOWVYBLKREKQO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001210782103 773736462 /nfs/dbraw/zinc/73/64/62/773736462.db2.gz IOOWVYBLKREKQO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001211267437 773787792 /nfs/dbraw/zinc/78/77/92/773787792.db2.gz AVQUIULKWJZWQJ-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211267830 773788073 /nfs/dbraw/zinc/78/80/73/773788073.db2.gz DICGEEQUJYFPRN-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269961 773788801 /nfs/dbraw/zinc/78/88/01/773788801.db2.gz WGBSVUAEMQVJSF-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC001211279172 773789314 /nfs/dbraw/zinc/78/93/14/773789314.db2.gz WHYJRGDFRCSVAV-HNNXBMFYSA-N 1 3 321.469 0.883 20 0 DCADHO CC[C@H](CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1)OC ZINC001213348214 773836813 /nfs/dbraw/zinc/83/68/13/773836813.db2.gz IKPFTWQWIQHJBT-RBSFLKMASA-N 1 3 315.458 0.569 20 0 DCADHO CO[C@@H]1CN(CCCCCF)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378283 773839040 /nfs/dbraw/zinc/83/90/40/773839040.db2.gz KFIJPDYYNHFVSK-ZIAGYGMSSA-N 1 3 303.422 0.893 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)NCCNCC(=O)NC1CC1 ZINC001152393204 773850379 /nfs/dbraw/zinc/85/03/79/773850379.db2.gz HBAALLVJOYPZHD-UHFFFAOYSA-N 1 3 318.421 0.346 20 0 DCADHO Cc1csc(=O)n1CC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152432585 773888998 /nfs/dbraw/zinc/88/89/98/773888998.db2.gz LRAJBSNYVXBBHJ-UHFFFAOYSA-N 1 3 314.455 0.264 20 0 DCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198654333 773957632 /nfs/dbraw/zinc/95/76/32/773957632.db2.gz SKCVFPCYSURAQY-ONILBQQISA-N 1 3 309.454 0.846 20 0 DCADHO CCC/C=C/CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198654333 773957635 /nfs/dbraw/zinc/95/76/35/773957635.db2.gz SKCVFPCYSURAQY-ONILBQQISA-N 1 3 309.454 0.846 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@H]2O)C1 ZINC001198653197 773957993 /nfs/dbraw/zinc/95/79/93/773957993.db2.gz JPZNURVIGNWWNE-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCCC(C)(C)C)C[C@H]2O)C1 ZINC001198653197 773957999 /nfs/dbraw/zinc/95/79/99/773957999.db2.gz JPZNURVIGNWWNE-RBSFLKMASA-N 1 3 311.470 0.926 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc(=O)n(C2CCC2)c1 ZINC001198977116 774011299 /nfs/dbraw/zinc/01/12/99/774011299.db2.gz YWWFICGXWUAKHE-UHFFFAOYSA-N 1 3 306.370 0.043 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(=O)N(C)C ZINC001214847850 774018822 /nfs/dbraw/zinc/01/88/22/774018822.db2.gz VIJZUHPRWJDTGZ-MGPQQGTHSA-N 1 3 324.469 0.384 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904685 774024381 /nfs/dbraw/zinc/02/43/81/774024381.db2.gz DUBRHJCEWQZHLB-TUVASFSCSA-N 1 3 315.458 0.016 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001214998325 774032333 /nfs/dbraw/zinc/03/23/33/774032333.db2.gz UWCRPGGUSJGICW-HZSPNIEDSA-N 1 3 315.458 0.161 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215004041 774033171 /nfs/dbraw/zinc/03/31/71/774033171.db2.gz QUNGDHJFCDZDAA-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215004041 774033177 /nfs/dbraw/zinc/03/31/77/774033177.db2.gz QUNGDHJFCDZDAA-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C)C(N)=O ZINC001215234119 774051570 /nfs/dbraw/zinc/05/15/70/774051570.db2.gz DMOLJFSLBAGGPM-MGPQQGTHSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215539840 774081948 /nfs/dbraw/zinc/08/19/48/774081948.db2.gz AFWKPLQXTXHQOI-RRFJBIMHSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215558472 774082670 /nfs/dbraw/zinc/08/26/70/774082670.db2.gz URAVORPWOIRDMP-CHWSQXEVSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001215999234 774098316 /nfs/dbraw/zinc/09/83/16/774098316.db2.gz WDPASFPMBOIAIH-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001216002244 774099481 /nfs/dbraw/zinc/09/94/81/774099481.db2.gz PKJXDPCYJHTDNW-VNHYZAJKSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001216226510 774109921 /nfs/dbraw/zinc/10/99/21/774109921.db2.gz VZOSSKDXSZITGV-YRGRVCCFSA-N 1 3 322.457 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2n[nH]c(C)n2)C1 ZINC001216226510 774109924 /nfs/dbraw/zinc/10/99/24/774109924.db2.gz VZOSSKDXSZITGV-YRGRVCCFSA-N 1 3 322.457 0.952 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCOCC(F)F)CC1 ZINC001199788267 774198631 /nfs/dbraw/zinc/19/86/31/774198631.db2.gz NOUUBLGDFZGKGY-CYBMUJFWSA-N 1 3 319.396 0.943 20 0 DCADHO c1cc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]32)n2nc3c(c2n1)CNCC3 ZINC001218118848 774212694 /nfs/dbraw/zinc/21/26/94/774212694.db2.gz GSHWWYAWZGMARR-YDHLFZDLSA-N 1 3 315.377 0.273 20 0 DCADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2n[nH]c3ccc(Br)cc32)C1 ZINC001218506457 774231025 /nfs/dbraw/zinc/23/10/25/774231025.db2.gz RLKMSIRVTLNHNK-XCBNKYQSSA-N 1 3 324.182 0.953 20 0 DCADHO [NH3+][C@H](C(=O)Nc1n[n-]c(-c2ccncc2)n1)C1CC[NH2+]CC1 ZINC001218523796 774236242 /nfs/dbraw/zinc/23/62/42/774236242.db2.gz TUILHHDKTZKNNP-NSHDSACASA-N 1 3 301.354 0.132 20 0 DCADHO O=C(Nc1cc(Cl)nnc1Cl)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218541255 774241660 /nfs/dbraw/zinc/24/16/60/774241660.db2.gz PTSVVRYYRLJBIX-JMCQJSRRSA-N 1 3 316.192 0.921 20 0 DCADHO O=C(Nc1cnc(C(F)(F)F)nc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218585777 774256400 /nfs/dbraw/zinc/25/64/00/774256400.db2.gz YTAREAFBEFUEOD-MRVPVSSYSA-N 1 3 301.272 0.243 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(-c2ccccc2)nn1CCO ZINC001218596787 774259897 /nfs/dbraw/zinc/25/98/97/774259897.db2.gz QWCUZFUULYBNDK-ZDUSSCGKSA-N 1 3 317.393 0.547 20 0 DCADHO CCOC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cnc1C ZINC001218633519 774268709 /nfs/dbraw/zinc/26/87/09/774268709.db2.gz CHNDGXVUCXZEAP-ZDUSSCGKSA-N 1 3 318.377 0.314 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705285 774284071 /nfs/dbraw/zinc/28/40/71/774284071.db2.gz MYNUFOYCJQLGJX-GFCCVEGCSA-N 1 3 308.382 0.928 20 0 DCADHO O=C(Nc1ccc(Cn2ccnc2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218847499 774314379 /nfs/dbraw/zinc/31/43/79/774314379.db2.gz GWXBTGPITFHTFE-HNNXBMFYSA-N 1 3 311.389 0.679 20 0 DCADHO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218946848 774333047 /nfs/dbraw/zinc/33/30/47/774333047.db2.gz UIIZGDYWEFTBFB-ZWNOBZJWSA-N 1 3 317.393 0.551 20 0 DCADHO [NH3+]C1(c2ccc(NC(=O)[C@H]3COC4(CNC4)CN3)cc2)CCC1 ZINC001218972717 774338066 /nfs/dbraw/zinc/33/80/66/774338066.db2.gz QOUJYIHNKIKEGY-CQSZACIVSA-N 1 3 316.405 0.293 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(-n2ccccc2=O)cc1 ZINC001219016730 774347809 /nfs/dbraw/zinc/34/78/09/774347809.db2.gz LRCFDORCHVXGGM-CQSZACIVSA-N 1 3 300.362 0.842 20 0 DCADHO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1CNC[C@H](F)C1 ZINC001219115537 774376558 /nfs/dbraw/zinc/37/65/58/774376558.db2.gz CJRDYQPSXUVADD-QWHCGFSZSA-N 1 3 306.385 0.982 20 0 DCADHO CO[C@@H]1CCN[C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119325 774378276 /nfs/dbraw/zinc/37/82/76/774378276.db2.gz XERVUXRVUOTUTG-CVEARBPZSA-N 1 3 318.421 0.802 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1CCCO[C@@H](CNCCF)C1)C1CC1 ZINC001200688459 774390231 /nfs/dbraw/zinc/39/02/31/774390231.db2.gz QBVFRDRYQSJKLF-KBPBESRZSA-N 1 3 301.406 0.503 20 0 DCADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201038234 774443303 /nfs/dbraw/zinc/44/33/03/774443303.db2.gz WCTWBCWMEGFQDD-CQSZACIVSA-N 1 3 313.442 0.059 20 0 DCADHO N[C@@H](C(=O)Nc1cccc2c1CC(=O)NC2)C1CC[NH2+]CC1 ZINC001219369741 774468046 /nfs/dbraw/zinc/46/80/46/774468046.db2.gz NSQNXNFCWPJKLT-OAHLLOKOSA-N 1 3 302.378 0.124 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001219555927 774535331 /nfs/dbraw/zinc/53/53/31/774535331.db2.gz ZBTXQOHRNRAIBJ-GFCCVEGCSA-N 1 3 301.431 0.894 20 0 DCADHO Cc1cc(C)c(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c(=O)[nH]1 ZINC001219689431 774579878 /nfs/dbraw/zinc/57/98/78/774579878.db2.gz SRJOPBUTTBNQFI-CQSZACIVSA-N 1 3 318.421 0.894 20 0 DCADHO Cc1cc(C)c(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c(=O)[nH]1 ZINC001219689431 774579882 /nfs/dbraw/zinc/57/98/82/774579882.db2.gz SRJOPBUTTBNQFI-CQSZACIVSA-N 1 3 318.421 0.894 20 0 DCADHO O=C(C[C@@H]1Cc2ccccc2CN1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736778 774594096 /nfs/dbraw/zinc/59/40/96/774594096.db2.gz HCYXWXNCNHGQIN-JKSUJKDBSA-N 1 3 315.417 0.586 20 0 DCADHO COCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202164982 774609815 /nfs/dbraw/zinc/60/98/15/774609815.db2.gz NRCAJBISFHIPFT-OAHLLOKOSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1cc2c(s1)CNCC2 ZINC001219803865 774614026 /nfs/dbraw/zinc/61/40/26/774614026.db2.gz ZUGJJYRCBOKASE-GFCCVEGCSA-N 1 3 321.446 0.892 20 0 DCADHO CN[C@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H](C)OC(C)(C)C ZINC001219812443 774617034 /nfs/dbraw/zinc/61/70/34/774617034.db2.gz BIWWOIWUIWLFBS-DVZHBHJUSA-N 1 3 313.442 0.130 20 0 DCADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814375 774618772 /nfs/dbraw/zinc/61/87/72/774618772.db2.gz BBUZWXSYWUPZHT-JQFCIGGWSA-N 1 3 321.396 0.438 20 0 DCADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1[nH]nc2c1CCNC2 ZINC001219820499 774619966 /nfs/dbraw/zinc/61/99/66/774619966.db2.gz JZWYILQUXGHISG-HIFRSBDPSA-N 1 3 311.389 0.888 20 0 DCADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001202330566 774636951 /nfs/dbraw/zinc/63/69/51/774636951.db2.gz JQZKKASSQMLWNO-LLVKDONJSA-N 1 3 308.430 0.706 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220061984 774685120 /nfs/dbraw/zinc/68/51/20/774685120.db2.gz HWYUDQAUONQVBQ-KQHSUYLTSA-N 1 3 303.472 0.463 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220061984 774685122 /nfs/dbraw/zinc/68/51/22/774685122.db2.gz HWYUDQAUONQVBQ-KQHSUYLTSA-N 1 3 303.472 0.463 20 0 DCADHO O=C(NCc1cc(Cl)nc(Cl)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001220069685 774687300 /nfs/dbraw/zinc/68/73/00/774687300.db2.gz ITNURUYZLSCQIO-SECBINFHSA-N 1 3 315.204 0.814 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163880 774715516 /nfs/dbraw/zinc/71/55/16/774715516.db2.gz WJSUVQDXZHVNIY-AYMQEEERSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263737 774749924 /nfs/dbraw/zinc/74/99/24/774749924.db2.gz WEGXOBXRGXQBKQ-CYBMUJFWSA-N 1 3 322.409 0.823 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]32)CCC1 ZINC001114404626 774843037 /nfs/dbraw/zinc/84/30/37/774843037.db2.gz DJKYZPNQVQRNFK-CAOSSQGBSA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@H]32)CCC1 ZINC001114404626 774843048 /nfs/dbraw/zinc/84/30/48/774843048.db2.gz DJKYZPNQVQRNFK-CAOSSQGBSA-N 1 3 321.465 0.944 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C(F)(F)F ZINC001220587320 774854376 /nfs/dbraw/zinc/85/43/76/774854376.db2.gz AEKXUJXGSXDBOK-BDAKNGLRSA-N 1 3 323.315 0.081 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C(F)(F)F ZINC001220587320 774854383 /nfs/dbraw/zinc/85/43/83/774854383.db2.gz AEKXUJXGSXDBOK-BDAKNGLRSA-N 1 3 323.315 0.081 20 0 DCADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220660185 774879576 /nfs/dbraw/zinc/87/95/76/774879576.db2.gz BZAGHACVCFSYRL-HZSPNIEDSA-N 1 3 323.437 0.709 20 0 DCADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220660185 774879583 /nfs/dbraw/zinc/87/95/83/774879583.db2.gz BZAGHACVCFSYRL-HZSPNIEDSA-N 1 3 323.437 0.709 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCC(=O)NC(C)(C)C ZINC001220709037 774897151 /nfs/dbraw/zinc/89/71/51/774897151.db2.gz PWKLPSHXIKQFIT-LBPRGKRZSA-N 1 3 300.447 0.467 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCC(=O)NC(C)(C)C ZINC001220708856 774897191 /nfs/dbraw/zinc/89/71/91/774897191.db2.gz JPLPDWPNISZSPO-ZDUSSCGKSA-N 1 3 314.474 0.903 20 0 DCADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001220716188 774901035 /nfs/dbraw/zinc/90/10/35/774901035.db2.gz AJQJJUWOMBKHGS-OWPPUKJFSA-N 1 3 301.456 0.214 20 0 DCADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001220716188 774901038 /nfs/dbraw/zinc/90/10/38/774901038.db2.gz AJQJJUWOMBKHGS-OWPPUKJFSA-N 1 3 301.456 0.214 20 0 DCADHO NC[C@H](N)C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001220751875 774907986 /nfs/dbraw/zinc/90/79/86/774907986.db2.gz YYTYWEMOISFLPY-FHZKDXSVSA-N 1 3 322.412 0.376 20 0 DCADHO O=C(NCCO[C@H]1CCCCO1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220862096 774938080 /nfs/dbraw/zinc/93/80/80/774938080.db2.gz PKUKGPBHSJGGRC-KBPBESRZSA-N 1 3 311.426 0.520 20 0 DCADHO O=C(NCCO[C@H]1CCCCO1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220862096 774938084 /nfs/dbraw/zinc/93/80/84/774938084.db2.gz PKUKGPBHSJGGRC-KBPBESRZSA-N 1 3 311.426 0.520 20 0 DCADHO CC(C)(C)C(=O)CN1CCC(NC(=O)CNCCC[NH3+])CC1 ZINC001220909052 774950437 /nfs/dbraw/zinc/95/04/37/774950437.db2.gz IXLDMOYIOORSRT-UHFFFAOYSA-N 1 3 312.458 0.121 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)NC1CN(c2ncnc3ccccc32)C1 ZINC001220985129 774970462 /nfs/dbraw/zinc/97/04/62/774970462.db2.gz OPIKCUSIRCEQLG-ZDUSSCGKSA-N 1 3 314.393 0.001 20 0 DCADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221016652 774979330 /nfs/dbraw/zinc/97/93/30/774979330.db2.gz YLMUICFWXNFLAA-ZDUSSCGKSA-N 1 3 308.382 0.047 20 0 DCADHO COc1ncccc1[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221021667 774981696 /nfs/dbraw/zinc/98/16/96/774981696.db2.gz OCJJVUPIHYZQRT-KBPBESRZSA-N 1 3 316.405 0.467 20 0 DCADHO CC(C)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091073 774992323 /nfs/dbraw/zinc/99/23/23/774992323.db2.gz APULGGWUJULQBT-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@@H](O)C1 ZINC001221091073 774992325 /nfs/dbraw/zinc/99/23/25/774992325.db2.gz APULGGWUJULQBT-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCC2)[C@@H](O)C1 ZINC001221091073 774992328 /nfs/dbraw/zinc/99/23/28/774992328.db2.gz APULGGWUJULQBT-PMPSAXMXSA-N 1 3 311.470 0.924 20 0 DCADHO O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1C[C@@H](F)CCN1 ZINC001221121377 775000353 /nfs/dbraw/zinc/00/03/53/775000353.db2.gz CJGXQDIYXQBRIM-KBPBESRZSA-N 1 3 306.385 0.867 20 0 DCADHO COc1ccccc1CC(C)(C)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221168346 775014076 /nfs/dbraw/zinc/01/40/76/775014076.db2.gz IPEMUKTWUBXIEW-AWEZNQCLSA-N 1 3 317.433 0.942 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCC1(c2ccc(F)cn2)CC1 ZINC001221175162 775017840 /nfs/dbraw/zinc/01/78/40/775017840.db2.gz ZPTNPQGMQMVHQH-NSHDSACASA-N 1 3 312.414 0.388 20 0 DCADHO N[C@H](C(=O)NCC[C@H]1COc2ccccc2O1)C1CC[NH2+]CC1 ZINC001221295328 775057232 /nfs/dbraw/zinc/05/72/32/775057232.db2.gz GAJQUFXQOZOVSY-BBRMVZONSA-N 1 3 319.405 0.660 20 0 DCADHO N[C@@H](C(=O)NC[C@H]1c2ccccc2NC1=O)C1CC[NH2+]CC1 ZINC001221309237 775063608 /nfs/dbraw/zinc/06/36/08/775063608.db2.gz MHMITWMFRJXWQS-GXTWGEPZSA-N 1 3 302.378 0.165 20 0 DCADHO COc1cnccc1CCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001221337549 775073920 /nfs/dbraw/zinc/07/39/20/775073920.db2.gz RRFWASDUSMCTBU-AWEZNQCLSA-N 1 3 308.426 0.808 20 0 DCADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001221358874 775077188 /nfs/dbraw/zinc/07/71/88/775077188.db2.gz RYOTYYUFRUAAFC-UONOGXRCSA-N 1 3 314.474 0.306 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCCOc1cccc2ccoc21 ZINC001221382390 775080939 /nfs/dbraw/zinc/08/09/39/775080939.db2.gz FEZUBOPGVBWCSJ-LBPRGKRZSA-N 1 3 323.418 0.947 20 0 DCADHO O=C(N[C@H](c1ccccc1)c1cccnn1)[C@H]1C[NH2+]CC12CNC2 ZINC001221386823 775082142 /nfs/dbraw/zinc/08/21/42/775082142.db2.gz WPEYNEGQLCFYED-GDBMZVCRSA-N 1 3 323.400 0.491 20 0 DCADHO O=C(NCc1ccc2oc(=O)[nH]c2c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221384651 775082494 /nfs/dbraw/zinc/08/24/94/775082494.db2.gz HUGPZOHORROCQW-BDJLRTHQSA-N 1 3 316.361 0.349 20 0 DCADHO CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221392389 775083720 /nfs/dbraw/zinc/08/37/20/775083720.db2.gz LNYXLHUBJGOGNQ-BPUTZDHNSA-N 1 3 316.449 0.799 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001221400137 775087191 /nfs/dbraw/zinc/08/71/91/775087191.db2.gz ZLLOVBULSIXYEJ-NXOAAHMSSA-N 1 3 315.417 0.442 20 0 DCADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001222186545 775293822 /nfs/dbraw/zinc/29/38/22/775293822.db2.gz LGNKTMAPAFCIQE-MGPQQGTHSA-N 1 3 319.396 0.168 20 0 DCADHO c1cc2c(cc1CN1CCOC[C@@]3(CNCCO3)C1)C[NH2+]CC2 ZINC001222190922 775295582 /nfs/dbraw/zinc/29/55/82/775295582.db2.gz GNSCIOBAVBZBQF-GOSISDBHSA-N 1 3 317.433 0.523 20 0 DCADHO c1c(CN2CCOC[C@]3(CNCCO3)C2)sc2c1CC[NH2+]C2 ZINC001222190586 775296360 /nfs/dbraw/zinc/29/63/60/775296360.db2.gz CKJNUWKYQLDLLI-INIZCTEOSA-N 1 3 323.462 0.585 20 0 DCADHO CN1CC[C@H](N2CCC(CNC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001224273288 775551895 /nfs/dbraw/zinc/55/18/95/775551895.db2.gz VNXXQWKCDLJEBG-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@@H](O)C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225578655 775696577 /nfs/dbraw/zinc/69/65/77/775696577.db2.gz YWBBXBCJLYRLRP-HNNXBMFYSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1)N(C)C ZINC001227056289 775919620 /nfs/dbraw/zinc/91/96/20/775919620.db2.gz FFEBHSOCXNOFLW-RBSFLKMASA-N 1 3 322.457 0.635 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CCN(CCn2cncn2)CC1)[NH+](C)C ZINC001227908860 776023329 /nfs/dbraw/zinc/02/33/29/776023329.db2.gz SSGLNEKGDNKXPA-HNNXBMFYSA-N 1 3 322.457 0.445 20 0 DCADHO Cn1nccc1CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365346 776076393 /nfs/dbraw/zinc/07/63/93/776076393.db2.gz CHSYGSURTXNBFZ-HUUCEWRRSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1cc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)n1 ZINC001114777905 776115094 /nfs/dbraw/zinc/11/50/94/776115094.db2.gz AUDSRXHDSBUSLR-QLPKVWCKSA-N 1 3 319.453 0.498 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001229229432 776171987 /nfs/dbraw/zinc/17/19/87/776171987.db2.gz ALFDUSSDCZWBSD-HUUCEWRRSA-N 1 3 315.458 0.354 20 0 DCADHO CC[C@@H](C(=O)NC1CC[NH+](CCn2cccn2)CC1)N(C)C ZINC001229253857 776173300 /nfs/dbraw/zinc/17/33/00/776173300.db2.gz LMTFFZIFCOEZLN-HNNXBMFYSA-N 1 3 307.442 0.804 20 0 DCADHO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001317573837 945066919 /nfs/dbraw/zinc/06/69/19/945066919.db2.gz SWEJOIQVZRLPEW-CQSZACIVSA-N 1 3 306.410 0.732 20 0 DCADHO CN(CCNCC(=O)NCC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661130 945152017 /nfs/dbraw/zinc/15/20/17/945152017.db2.gz IKBXMFOLZOQDKY-ZDUSSCGKSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CCNCC(=O)NCC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317661130 945152030 /nfs/dbraw/zinc/15/20/30/945152030.db2.gz IKBXMFOLZOQDKY-ZDUSSCGKSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCC1)CCc1cnn(C)c1 ZINC001480898259 939268219 /nfs/dbraw/zinc/26/82/19/939268219.db2.gz IWCOVAHLDJFWJO-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCOCCO)CC1 ZINC001266916458 939275915 /nfs/dbraw/zinc/27/59/15/939275915.db2.gz RXPFLGSOXVRLCV-UHFFFAOYSA-N 1 3 324.425 0.287 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267023337 939313720 /nfs/dbraw/zinc/31/37/20/939313720.db2.gz WFULSHITJZZUII-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267023337 939313722 /nfs/dbraw/zinc/31/37/22/939313722.db2.gz WFULSHITJZZUII-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCn3cccn3)C2)C1 ZINC001267057995 939326379 /nfs/dbraw/zinc/32/63/79/939326379.db2.gz NHWFWVUSQOQENU-HZPDHXFCSA-N 1 3 319.453 0.663 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)NC2CCCC2)C1 ZINC001481279411 939703464 /nfs/dbraw/zinc/70/34/64/939703464.db2.gz HNHJMRGSLPWPAI-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)NC2CCCC2)C1 ZINC001481279411 939703466 /nfs/dbraw/zinc/70/34/66/939703466.db2.gz HNHJMRGSLPWPAI-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](O)CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481496283 939902010 /nfs/dbraw/zinc/90/20/10/939902010.db2.gz ARDCOCPPMCLUJS-KBPBESRZSA-N 1 3 308.426 0.894 20 0 DCADHO C[C@H](O)CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001481496283 939902012 /nfs/dbraw/zinc/90/20/12/939902012.db2.gz ARDCOCPPMCLUJS-KBPBESRZSA-N 1 3 308.426 0.894 20 0 DCADHO CC(C)OCCCN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001318168511 945280475 /nfs/dbraw/zinc/28/04/75/945280475.db2.gz FMBSXEKEXMQTQV-UHFFFAOYSA-N 1 3 309.454 0.945 20 0 DCADHO CCN(CC[NH2+]CCn1cccn1)C(=O)CN1CC[C@@H](C)C1 ZINC001268479646 940176298 /nfs/dbraw/zinc/17/62/98/940176298.db2.gz OVQIBMUGTQRDAN-OAHLLOKOSA-N 1 3 307.442 0.663 20 0 DCADHO CCN(CCNCc1cnc(C)nc1)C(=O)C12CC[NH+](CC1)C2 ZINC001268492544 940190123 /nfs/dbraw/zinc/19/01/23/940190123.db2.gz HWZYOBVTSQZYAR-UHFFFAOYSA-N 1 3 317.437 0.819 20 0 DCADHO O[C@]1(CN[C@H]2CCNC[C@H]2F)CC[N@H+](Cc2ccccc2)C1 ZINC001245971743 945302136 /nfs/dbraw/zinc/30/21/36/945302136.db2.gz GYNAFOWXCDTRIC-IKGGRYGDSA-N 1 3 307.413 0.913 20 0 DCADHO O[C@]1(CN[C@H]2CCNC[C@H]2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001245971743 945302146 /nfs/dbraw/zinc/30/21/46/945302146.db2.gz GYNAFOWXCDTRIC-IKGGRYGDSA-N 1 3 307.413 0.913 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001482026197 940210116 /nfs/dbraw/zinc/21/01/16/940210116.db2.gz UBXWEXCCKZYUPN-BIQWYFBQSA-N 1 3 324.469 0.622 20 0 DCADHO CCN(C)C(=O)CNC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268630183 940308884 /nfs/dbraw/zinc/30/88/84/940308884.db2.gz GPZOHLPZMWXDPU-ZPIQOJFGSA-N 1 3 324.469 0.601 20 0 DCADHO CCN(C)C(=O)CNC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268630183 940308888 /nfs/dbraw/zinc/30/88/88/940308888.db2.gz GPZOHLPZMWXDPU-ZPIQOJFGSA-N 1 3 324.469 0.601 20 0 DCADHO CC[C@@H]([NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1)C(N)=O ZINC001482221601 940715210 /nfs/dbraw/zinc/71/52/10/940715210.db2.gz NVCHYMGFHHDKQE-CYBMUJFWSA-N 1 3 324.469 0.753 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001269710774 940761133 /nfs/dbraw/zinc/76/11/33/940761133.db2.gz GENWBWLDCCGNMX-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CN1 ZINC001246151635 945349692 /nfs/dbraw/zinc/34/96/92/945349692.db2.gz JOSGCVVSCQCXNF-QCQGSNGOSA-N 1 3 311.426 0.169 20 0 DCADHO NC(=O)CNC[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001270193976 940853726 /nfs/dbraw/zinc/85/37/26/940853726.db2.gz NWFRAEXVLWLFFQ-CQSZACIVSA-N 1 3 310.442 0.318 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001482325862 940991723 /nfs/dbraw/zinc/99/17/23/940991723.db2.gz NDELCRFXHPEIBJ-QWHCGFSZSA-N 1 3 312.458 0.241 20 0 DCADHO COc1cc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001482364979 941023026 /nfs/dbraw/zinc/02/30/26/941023026.db2.gz RDXUAIJMLFZFQM-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO COc1cc(CNC[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001482364979 941023031 /nfs/dbraw/zinc/02/30/31/941023031.db2.gz RDXUAIJMLFZFQM-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)cn1 ZINC001482364935 941023054 /nfs/dbraw/zinc/02/30/54/941023054.db2.gz QSVMPHZRAOACGY-ZDUSSCGKSA-N 1 3 305.426 0.817 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365897 941023721 /nfs/dbraw/zinc/02/37/21/941023721.db2.gz ZCULWWJZLCUBTA-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482365897 941023725 /nfs/dbraw/zinc/02/37/25/941023725.db2.gz ZCULWWJZLCUBTA-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482389827 941035426 /nfs/dbraw/zinc/03/54/26/941035426.db2.gz AUDPELQRWKAFTG-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001409086828 941458549 /nfs/dbraw/zinc/45/85/49/941458549.db2.gz FILWPWUOLXWXHY-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001409086828 941458550 /nfs/dbraw/zinc/45/85/50/941458550.db2.gz FILWPWUOLXWXHY-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001482531498 941459628 /nfs/dbraw/zinc/45/96/28/941459628.db2.gz ALNXXUNYPUSADB-JSGCOSHPSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001482534049 941463696 /nfs/dbraw/zinc/46/36/96/941463696.db2.gz PVGMVNKFBSRANE-UONOGXRCSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cncn1C ZINC001482554363 941493677 /nfs/dbraw/zinc/49/36/77/941493677.db2.gz TUPFPNZIEWRQIC-ZBFHGGJFSA-N 1 3 321.469 0.992 20 0 DCADHO CN(CCO[C@H]1CC1(F)F)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482649367 941610103 /nfs/dbraw/zinc/61/01/03/941610103.db2.gz KZTZMIMZYNKFAD-STQMWFEESA-N 1 3 319.396 0.753 20 0 DCADHO CN(CCO[C@H]1CC1(F)F)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482649367 941610105 /nfs/dbraw/zinc/61/01/05/941610105.db2.gz KZTZMIMZYNKFAD-STQMWFEESA-N 1 3 319.396 0.753 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CNC/C=C/Cl)CC1 ZINC001482781120 941662642 /nfs/dbraw/zinc/66/26/42/941662642.db2.gz NHERGJBCCIFEOJ-BOTMBNHJSA-N 1 3 317.861 0.926 20 0 DCADHO CCN1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001482839662 941686176 /nfs/dbraw/zinc/68/61/76/941686176.db2.gz LZZDHTIJTJSBKU-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001409269412 941824354 /nfs/dbraw/zinc/82/43/54/941824354.db2.gz CMFDLDRBCMMMMG-SSDMNJCBSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001483167785 941919553 /nfs/dbraw/zinc/91/95/53/941919553.db2.gz ZJFVPJYNMBAWER-MCIONIFRSA-N 1 3 314.474 0.676 20 0 DCADHO CO[C@@H](C)CN1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607050 942135777 /nfs/dbraw/zinc/13/57/77/942135777.db2.gz CLUPUANOEBYCOZ-GLQYFDAESA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607050 942135780 /nfs/dbraw/zinc/13/57/80/942135780.db2.gz CLUPUANOEBYCOZ-GLQYFDAESA-N 1 3 318.377 0.144 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3cncc3c2)[C@@H](O)C1 ZINC001083607050 942135781 /nfs/dbraw/zinc/13/57/81/942135781.db2.gz CLUPUANOEBYCOZ-GLQYFDAESA-N 1 3 318.377 0.144 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)N1CCC1)C1CC1)N(C)C ZINC001483601357 942454535 /nfs/dbraw/zinc/45/45/35/942454535.db2.gz NTFQAHDDJALTJI-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001483598527 942457033 /nfs/dbraw/zinc/45/70/33/942457033.db2.gz NKNRSLUKPBCAPK-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001483598527 942457035 /nfs/dbraw/zinc/45/70/35/942457035.db2.gz NKNRSLUKPBCAPK-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001483915382 943020199 /nfs/dbraw/zinc/02/01/99/943020199.db2.gz WMULRZXGNRTRJO-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCn1cccn1 ZINC001483941568 943040063 /nfs/dbraw/zinc/04/00/63/943040063.db2.gz YZYMRULOBOIFQG-LSDHHAIUSA-N 1 3 305.426 0.558 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNC(=O)C1CC1)N(C)C ZINC001483951909 943052165 /nfs/dbraw/zinc/05/21/65/943052165.db2.gz MVYNQTDJZMTAEQ-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)CN3CCCC3)C2)n1 ZINC001484124986 943158123 /nfs/dbraw/zinc/15/81/23/943158123.db2.gz LBWRVKWHEBLOCL-QGZVFWFLSA-N 1 3 319.453 0.844 20 0 DCADHO CCOCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001484411655 943361109 /nfs/dbraw/zinc/36/11/09/943361109.db2.gz BCIMFLIYJAGSDL-OWCLPIDISA-N 1 3 311.470 0.999 20 0 DCADHO CCOCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001484411655 943361114 /nfs/dbraw/zinc/36/11/14/943361114.db2.gz BCIMFLIYJAGSDL-OWCLPIDISA-N 1 3 311.470 0.999 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001413590756 943507534 /nfs/dbraw/zinc/50/75/34/943507534.db2.gz CGAXCJOFHCULOP-WLYUNCDWSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001484907726 943623108 /nfs/dbraw/zinc/62/31/08/943623108.db2.gz WAYOZTZMHLHENN-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001484907726 943623111 /nfs/dbraw/zinc/62/31/11/943623111.db2.gz WAYOZTZMHLHENN-GXTWGEPZSA-N 1 3 322.457 0.782 20 0 DCADHO CC[N@@H+](CC(N)=O)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001485033232 943665442 /nfs/dbraw/zinc/66/54/42/943665442.db2.gz AJAFKTNBCLUWBZ-UHFFFAOYSA-N 1 3 310.442 0.128 20 0 DCADHO CC[N@H+](CC(N)=O)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001485033232 943665444 /nfs/dbraw/zinc/66/54/44/943665444.db2.gz AJAFKTNBCLUWBZ-UHFFFAOYSA-N 1 3 310.442 0.128 20 0 DCADHO C[C@@H]1C[C@H]1C[N@@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272697718 943731835 /nfs/dbraw/zinc/73/18/35/943731835.db2.gz NJTTZEYZXKEBJP-HLLBOEOZSA-N 1 3 309.454 0.755 20 0 DCADHO C[C@@H]1C[C@H]1C[N@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272697718 943731837 /nfs/dbraw/zinc/73/18/37/943731837.db2.gz NJTTZEYZXKEBJP-HLLBOEOZSA-N 1 3 309.454 0.755 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001491455034 944009897 /nfs/dbraw/zinc/00/98/97/944009897.db2.gz NSSGBVJTKSVMPP-ZIAGYGMSSA-N 1 3 312.458 0.478 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001491455034 944009902 /nfs/dbraw/zinc/00/99/02/944009902.db2.gz NSSGBVJTKSVMPP-ZIAGYGMSSA-N 1 3 312.458 0.478 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccnn1C ZINC001491486431 944036304 /nfs/dbraw/zinc/03/63/04/944036304.db2.gz IESJYJXKWBYPRU-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccnn1C ZINC001491486431 944036314 /nfs/dbraw/zinc/03/63/14/944036314.db2.gz IESJYJXKWBYPRU-KGLIPLIRSA-N 1 3 307.442 0.889 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC001203010142 944142513 /nfs/dbraw/zinc/14/25/13/944142513.db2.gz IPTKLZRDNBKUJQ-UHFFFAOYSA-N 1 3 321.469 0.885 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001203010510 944142600 /nfs/dbraw/zinc/14/26/00/944142600.db2.gz PHQAUZJMIXWYOD-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001485814260 944161346 /nfs/dbraw/zinc/16/13/46/944161346.db2.gz QOYUFDIEUFDBGY-UONOGXRCSA-N 1 3 324.469 0.561 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCCN2Cc2ccc[nH]c2=O)C1=O ZINC001272794588 944229004 /nfs/dbraw/zinc/22/90/04/944229004.db2.gz VVZMSPZBUVJIFG-QGZVFWFLSA-N 1 3 318.421 0.916 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)N1CCCC1 ZINC001485856424 944347978 /nfs/dbraw/zinc/34/79/78/944347978.db2.gz RREZDDPICGHPML-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001485908608 944398368 /nfs/dbraw/zinc/39/83/68/944398368.db2.gz VYWICUKTHYAOIR-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001485922495 944404833 /nfs/dbraw/zinc/40/48/33/944404833.db2.gz MFVVXOZIWMCBJZ-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001485961888 944450013 /nfs/dbraw/zinc/45/00/13/944450013.db2.gz UFAYJFDHGAIATG-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001316882683 944610968 /nfs/dbraw/zinc/61/09/68/944610968.db2.gz UHNGTGBHAJPSPL-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H]1CCCN(C)C1=O ZINC001316887682 944615226 /nfs/dbraw/zinc/61/52/26/944615226.db2.gz SDTUVCPEAMMUAG-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H]1CCCN(C)C1=O ZINC001316887682 944615228 /nfs/dbraw/zinc/61/52/28/944615228.db2.gz SDTUVCPEAMMUAG-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC)C(C)(C)C1 ZINC001486246442 944669605 /nfs/dbraw/zinc/66/96/05/944669605.db2.gz KVRDKQNGMDSDCJ-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001317094195 944790926 /nfs/dbraw/zinc/79/09/26/944790926.db2.gz YQRZAEKIYGJKFA-SHTZXODSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CN(C)CCOC)CC[N@@H+]1C ZINC001486338082 944798580 /nfs/dbraw/zinc/79/85/80/944798580.db2.gz RVCSKGJPARRSCK-QLFBSQMISA-N 1 3 315.458 0.114 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CN(C)CCOC)CC[N@H+]1C ZINC001486338082 944798588 /nfs/dbraw/zinc/79/85/88/944798588.db2.gz RVCSKGJPARRSCK-QLFBSQMISA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)N1CCCC1 ZINC001486407771 944861685 /nfs/dbraw/zinc/86/16/85/944861685.db2.gz WAMKXNBCBCJGCU-GFCCVEGCSA-N 1 3 312.458 0.467 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001317362640 944940243 /nfs/dbraw/zinc/94/02/43/944940243.db2.gz GNFSOJOHIJPJIT-KBPBESRZSA-N 1 3 324.425 0.287 20 0 DCADHO Cn1cncc1N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001277769869 944972626 /nfs/dbraw/zinc/97/26/26/944972626.db2.gz XHBXJIPUSKDYBC-MRXNPFEDSA-N 1 3 307.442 0.653 20 0 DCADHO CN(C)C(=O)[C@@H]1CCN(CC2CC[NH2+]CC2)Cc2ccnn21 ZINC001277821093 944994880 /nfs/dbraw/zinc/99/48/80/944994880.db2.gz DCVIKDPZDOUPPE-HNNXBMFYSA-N 1 3 305.426 0.718 20 0 DCADHO Cn1ccnc1NC(=O)[C@]12C[C@H]1CCN2CC1CC[NH2+]CC1 ZINC001277824466 944996010 /nfs/dbraw/zinc/99/60/10/944996010.db2.gz RZHYXIVSUCLNDI-CJNGLKHVSA-N 1 3 303.410 0.823 20 0 DCADHO c1nc(CN[C@H]2CCNC3(C[NH2+]C3)C2)cc(OCC2CCC2)n1 ZINC001246382278 945400647 /nfs/dbraw/zinc/40/06/47/945400647.db2.gz BLWNTDRHYWPTJO-AWEZNQCLSA-N 1 3 317.437 0.839 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)C[NH2+]CCO3)CN1 ZINC001246606996 945442245 /nfs/dbraw/zinc/44/22/45/945442245.db2.gz ZHFSNVSEIWHOBI-KGLIPLIRSA-N 1 3 311.426 0.125 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@H]3CCNC4(CCC4)C3)C[C@@H]2N1 ZINC001246669340 945456374 /nfs/dbraw/zinc/45/63/74/945456374.db2.gz MZIBARUCZFPNHE-BARDWOONSA-N 1 3 307.438 0.887 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@H]3CCNC4(CCC4)C3)C[C@@H]2N1 ZINC001246669340 945456378 /nfs/dbraw/zinc/45/63/78/945456378.db2.gz MZIBARUCZFPNHE-BARDWOONSA-N 1 3 307.438 0.887 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2CN([C@H]3CC[NH2+]C4(CCC4)C3)C[C@@H]2N1 ZINC001246669340 945456381 /nfs/dbraw/zinc/45/63/81/945456381.db2.gz MZIBARUCZFPNHE-BARDWOONSA-N 1 3 307.438 0.887 20 0 DCADHO COCCN1CCOC[C@]2(CCCN([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246698231 945462927 /nfs/dbraw/zinc/46/29/27/945462927.db2.gz WRKDXSAWYGPQFF-DLBZAZTESA-N 1 3 311.470 0.799 20 0 DCADHO CC(C)NC(=O)c1nn([C@@H]2CC[C@H](C)[NH2+]C2)c2c1CNCC2 ZINC001246755321 945484315 /nfs/dbraw/zinc/48/43/15/945484315.db2.gz ISIIYMPURSXJJY-NWDGAFQWSA-N 1 3 305.426 0.980 20 0 DCADHO c1ccc(CCN2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246786823 945489132 /nfs/dbraw/zinc/48/91/32/945489132.db2.gz AHRHLRMCKZDQOE-KRWDZBQOSA-N 1 3 315.465 0.336 20 0 DCADHO Clc1ccnc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246812461 945496913 /nfs/dbraw/zinc/49/69/13/945496913.db2.gz DMRWDKFZKBOAAX-AWEZNQCLSA-N 1 3 321.856 0.951 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246973659 945532530 /nfs/dbraw/zinc/53/25/30/945532530.db2.gz HOMVULNANDGHKC-YQQAZPJKSA-N 1 3 324.469 0.168 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CN1 ZINC001246977903 945534416 /nfs/dbraw/zinc/53/44/16/945534416.db2.gz RMEQLMFOASUXEH-YSVLISHTSA-N 1 3 324.469 0.168 20 0 DCADHO C[C@H](C[NH2+]CCn1cc(Cl)cn1)N(C)C(=O)Cc1c[nH]cn1 ZINC001319538058 945615119 /nfs/dbraw/zinc/61/51/19/945615119.db2.gz NMTYMGDZDUJSNS-LLVKDONJSA-N 1 3 324.816 0.939 20 0 DCADHO CCOC[C@@H](O)C[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001252042706 945852918 /nfs/dbraw/zinc/85/29/18/945852918.db2.gz STRALUPBYIYKSR-SFHVURJKSA-N 1 3 321.465 0.921 20 0 DCADHO C[C@@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001320549615 945921015 /nfs/dbraw/zinc/92/10/15/945921015.db2.gz SRZOLXPGWXHEIF-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCCN(CC[NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC001252655362 945975573 /nfs/dbraw/zinc/97/55/73/945975573.db2.gz STNDXORHHSWVAB-HNNXBMFYSA-N 1 3 311.426 0.384 20 0 DCADHO CN(CCO)CCC[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001252951437 946040566 /nfs/dbraw/zinc/04/05/66/946040566.db2.gz MIXGPVXAJZCZHA-SFHVURJKSA-N 1 3 321.465 0.527 20 0 DCADHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253160363 946076738 /nfs/dbraw/zinc/07/67/38/946076738.db2.gz NPEXGZMJUREILD-DLBZAZTESA-N 1 3 322.449 0.893 20 0 DCADHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253160363 946076750 /nfs/dbraw/zinc/07/67/50/946076750.db2.gz NPEXGZMJUREILD-DLBZAZTESA-N 1 3 322.449 0.893 20 0 DCADHO CC[NH+](CC)C[C@@H](O)CNC1CCN(COC(C)=O)CC1 ZINC001253214788 946095373 /nfs/dbraw/zinc/09/53/73/946095373.db2.gz SFEBXAOXNBICLQ-HNNXBMFYSA-N 1 3 301.431 0.264 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCc2ncnn21 ZINC001320998051 946109821 /nfs/dbraw/zinc/10/98/21/946109821.db2.gz MOMDRCCVLVBQDO-GWSUEFFPSA-N 1 3 318.425 0.122 20 0 DCADHO COCC(=O)N[C@H]1CC[C@H](NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253410222 946117830 /nfs/dbraw/zinc/11/78/30/946117830.db2.gz CYQCKKRXSQUNPQ-IHRRRGAJSA-N 1 3 315.458 0.399 20 0 DCADHO COCC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253410222 946117841 /nfs/dbraw/zinc/11/78/41/946117841.db2.gz CYQCKKRXSQUNPQ-IHRRRGAJSA-N 1 3 315.458 0.399 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCN(Cc3cccnn3)C2)C1=O ZINC001273268928 946377098 /nfs/dbraw/zinc/37/70/98/946377098.db2.gz PSEIKJUOTQDJKD-INIZCTEOSA-N 1 3 303.410 0.463 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCCCC1 ZINC001321851502 946486221 /nfs/dbraw/zinc/48/62/21/946486221.db2.gz YKHSVNQYVHDAHM-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001410495828 946487784 /nfs/dbraw/zinc/48/77/84/946487784.db2.gz FLVWBNBJGGGOSN-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+]1CCC(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)CC1 ZINC001256205233 946595683 /nfs/dbraw/zinc/59/56/83/946595683.db2.gz XOVQCLZUZHALAY-HZPDHXFCSA-N 1 3 317.437 0.708 20 0 DCADHO COCCC1([NH3+])CCN([C@@H](C)CC(=O)N2CCOCC2)CC1 ZINC001256328196 946612426 /nfs/dbraw/zinc/61/24/26/946612426.db2.gz DYYNPXVZPSMZJO-AWEZNQCLSA-N 1 3 313.442 0.454 20 0 DCADHO C[NH+](C)C[C@H]1COCCN1C1CCC(N2CCOCC2)CC1 ZINC001256695654 946654811 /nfs/dbraw/zinc/65/48/11/946654811.db2.gz IRZSZUSDFPHNRV-JCYILVPMSA-N 1 3 311.470 0.892 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001410811697 946984236 /nfs/dbraw/zinc/98/42/36/946984236.db2.gz HKQYPHKHPJNVIQ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)[C@@H]1CN(C)CCN1C ZINC001462589056 1013074453 /nfs/dbraw/zinc/07/44/53/1013074453.db2.gz JBRSTZKWNHNBKX-HOCLYGCPSA-N 1 3 312.502 0.446 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC ZINC001135975849 947668138 /nfs/dbraw/zinc/66/81/38/947668138.db2.gz DKKJKODYLPHIML-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO CCOC(=O)CC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273470242 947911269 /nfs/dbraw/zinc/91/12/69/947911269.db2.gz VTRUKGJFCQLHAG-INIZCTEOSA-N 1 3 311.426 0.426 20 0 DCADHO CCOC(=O)CC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273470242 947911276 /nfs/dbraw/zinc/91/12/76/947911276.db2.gz VTRUKGJFCQLHAG-INIZCTEOSA-N 1 3 311.426 0.426 20 0 DCADHO COCn1ncc(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001327632024 948579398 /nfs/dbraw/zinc/57/93/98/948579398.db2.gz MPBJCQHFFWQEFC-UHFFFAOYSA-N 1 3 309.458 0.911 20 0 DCADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001488267089 948636516 /nfs/dbraw/zinc/63/65/16/948636516.db2.gz HAJLUIJYJNUHBT-GXTWGEPZSA-N 1 3 321.425 0.400 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CC(N)=O ZINC001263960516 948814611 /nfs/dbraw/zinc/81/46/11/948814611.db2.gz JCPRQMJTAHJJGU-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N1CCC(NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000387345835 948930975 /nfs/dbraw/zinc/93/09/75/948930975.db2.gz HQGNIDTUUCNSER-UHFFFAOYSA-N 1 3 303.472 0.778 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001264583749 949009871 /nfs/dbraw/zinc/00/98/71/949009871.db2.gz APCUMDHIQYXKEP-NSHDSACASA-N 1 3 307.398 0.250 20 0 DCADHO CCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001264583749 949009887 /nfs/dbraw/zinc/00/98/87/949009887.db2.gz APCUMDHIQYXKEP-NSHDSACASA-N 1 3 307.398 0.250 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001265058487 949258342 /nfs/dbraw/zinc/25/83/42/949258342.db2.gz VVPPCZYOTWCZPO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001265058487 949258362 /nfs/dbraw/zinc/25/83/62/949258362.db2.gz VVPPCZYOTWCZPO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001488857797 949267753 /nfs/dbraw/zinc/26/77/53/949267753.db2.gz DZZJDNJGDMUQTK-UMVBOHGHSA-N 1 3 322.453 0.091 20 0 DCADHO COC[C@@]1(CO)CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC001364715442 949797491 /nfs/dbraw/zinc/79/74/91/949797491.db2.gz UNQYVWCAAWVEOD-KRWDZBQOSA-N 1 3 313.486 0.733 20 0 DCADHO COC[C@@]1(CO)CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC001364715442 949797504 /nfs/dbraw/zinc/79/75/04/949797504.db2.gz UNQYVWCAAWVEOD-KRWDZBQOSA-N 1 3 313.486 0.733 20 0 DCADHO C[C@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001265873235 950069348 /nfs/dbraw/zinc/06/93/48/950069348.db2.gz PXEAWTNKFRPQLS-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO COCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001330404151 950360248 /nfs/dbraw/zinc/36/02/48/950360248.db2.gz MXKRUOLHXIWMQD-KGLIPLIRSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCCN2CC(N)=O)CC[N@@H+]1C ZINC001266215413 950478535 /nfs/dbraw/zinc/47/85/35/950478535.db2.gz JTCFTZQUVFPDHG-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCCN2CC(N)=O)CC[N@H+]1C ZINC001266215413 950478543 /nfs/dbraw/zinc/47/85/43/950478543.db2.gz JTCFTZQUVFPDHG-SOUVJXGZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001330834777 950695899 /nfs/dbraw/zinc/69/58/99/950695899.db2.gz GFDBKDVNGNTRTP-QWHCGFSZSA-N 1 3 310.442 0.234 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](CC[NH2+]CCn2cccn2)C1 ZINC001280206982 950785559 /nfs/dbraw/zinc/78/55/59/950785559.db2.gz DUTDYQVRJFNNIR-CQSZACIVSA-N 1 3 316.409 0.677 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](CC[NH2+]CCn2cccn2)C1 ZINC001280206981 950787122 /nfs/dbraw/zinc/78/71/22/950787122.db2.gz DUTDYQVRJFNNIR-AWEZNQCLSA-N 1 3 316.409 0.677 20 0 DCADHO CCCCOC[C@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252528726 951150313 /nfs/dbraw/zinc/15/03/13/951150313.db2.gz AQFQLDNZCADHFU-MRXNPFEDSA-N 1 3 301.475 0.780 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001331602687 951189317 /nfs/dbraw/zinc/18/93/17/951189317.db2.gz ZUAYWDJZULYHNG-JJRVBVJISA-N 1 3 322.453 0.045 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCOCC(F)F)C1 ZINC001490815271 951293495 /nfs/dbraw/zinc/29/34/95/951293495.db2.gz STEBKZXQKZWTRK-NWDGAFQWSA-N 1 3 305.369 0.553 20 0 DCADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCN(S(C)(=O)=O)CC3)[C@@H]2C1 ZINC001365618469 951329675 /nfs/dbraw/zinc/32/96/75/951329675.db2.gz GSZDMHVFJFYAIF-YUTCNCBUSA-N 1 3 301.456 0.340 20 0 DCADHO CC[C@H](C(=O)N1CC=C(CNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001281397002 951484285 /nfs/dbraw/zinc/48/42/85/951484285.db2.gz ROLHRRRGWCFOMF-OAHLLOKOSA-N 1 3 324.469 0.553 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOCC1CC1 ZINC001274262089 951524020 /nfs/dbraw/zinc/52/40/20/951524020.db2.gz XWHYDFLHDAHYDK-SWLSCSKDSA-N 1 3 306.410 0.815 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001274340538 951570331 /nfs/dbraw/zinc/57/03/31/951570331.db2.gz UJLFOMIXBVZKHC-MFHOCJEASA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCCF)CC1)N(C)C ZINC001281637520 951570491 /nfs/dbraw/zinc/57/04/91/951570491.db2.gz VWOXKBJTQYINNQ-ZDUSSCGKSA-N 1 3 303.422 0.629 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001365845314 951609905 /nfs/dbraw/zinc/60/99/05/951609905.db2.gz AAVRMQIBGCCTRG-MJBXVCDLSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001365856838 951620416 /nfs/dbraw/zinc/62/04/16/951620416.db2.gz ZPFMKRAAAMJKJA-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CCOC[C@@H](O)CN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274565696 951701247 /nfs/dbraw/zinc/70/12/47/951701247.db2.gz MGGGBZCLHXHJLK-GOEBONIOSA-N 1 3 313.442 0.012 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCC)CC2)C1 ZINC001333955403 952208492 /nfs/dbraw/zinc/20/84/92/952208492.db2.gz DHJRWKOPVPWTTK-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275542970 952243946 /nfs/dbraw/zinc/24/39/46/952243946.db2.gz XOAHOYQZLURGSN-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001444727532 952328914 /nfs/dbraw/zinc/32/89/14/952328914.db2.gz ZOFBDLNDNGDFSB-CYBMUJFWSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@@H](C)CN1 ZINC001336193987 952659127 /nfs/dbraw/zinc/65/91/27/952659127.db2.gz RYRKEDOFIQAMQP-CABCVRRESA-N 1 3 311.474 0.454 20 0 DCADHO CC(C)C[NH+]1CCC(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC001412196583 952689306 /nfs/dbraw/zinc/68/93/06/952689306.db2.gz RXOUJWXJMKIEFF-MRXNPFEDSA-N 1 3 311.470 0.927 20 0 DCADHO CN(C)CCN1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC001412308655 952742875 /nfs/dbraw/zinc/74/28/75/952742875.db2.gz JMEDKHVMOBXYIC-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCN1CCN(CCC[NH2+]CCC(=O)Nc2cc(C)on2)CC1 ZINC001336997769 952793603 /nfs/dbraw/zinc/79/36/03/952793603.db2.gz LXSGSYUKMBCJRD-UHFFFAOYSA-N 1 3 323.441 0.929 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001490852644 953124081 /nfs/dbraw/zinc/12/40/81/953124081.db2.gz PZXWWEHXOBMYOY-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340702924 953188801 /nfs/dbraw/zinc/18/88/01/953188801.db2.gz FUCQATFLSICSJW-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)c1cccc2c1OCCNC2 ZINC001340822565 953197130 /nfs/dbraw/zinc/19/71/30/953197130.db2.gz NZJPONCMOZWIRG-UHFFFAOYSA-N 1 3 321.421 0.867 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)c1cccc2c1OCCNC2 ZINC001340822565 953197131 /nfs/dbraw/zinc/19/71/31/953197131.db2.gz NZJPONCMOZWIRG-UHFFFAOYSA-N 1 3 321.421 0.867 20 0 DCADHO Cn1nncc1CN[C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001365888827 953362473 /nfs/dbraw/zinc/36/24/73/953362473.db2.gz LJNFFXXGHIXELP-CQSZACIVSA-N 1 3 322.457 0.628 20 0 DCADHO [NH3+]CCNCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001344447686 953482782 /nfs/dbraw/zinc/48/27/82/953482782.db2.gz GLYNYRDLNBWGIQ-MRXNPFEDSA-N 1 3 304.438 0.706 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCCC1)C1CC1)N(C)C ZINC001366063626 953638688 /nfs/dbraw/zinc/63/86/88/953638688.db2.gz XBJCILQNWGXTTL-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1CC1 ZINC001366068797 953645614 /nfs/dbraw/zinc/64/56/14/953645614.db2.gz YONLVAMLLNYVEN-TZMCWYRMSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001366115196 953705191 /nfs/dbraw/zinc/70/51/91/953705191.db2.gz FQZZXFUVAPASKR-XUXIUFHCSA-N 1 3 312.458 0.286 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001366145116 953739631 /nfs/dbraw/zinc/73/96/31/953739631.db2.gz FIEAZVQDNYPHAR-BETUJISGSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001366217434 953844111 /nfs/dbraw/zinc/84/41/11/953844111.db2.gz LXLTZDYIYQVXSJ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001346478212 953898969 /nfs/dbraw/zinc/89/89/69/953898969.db2.gz LIMCFWQIGUEWKG-LSDHHAIUSA-N 1 3 308.426 0.147 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283026401 953930781 /nfs/dbraw/zinc/93/07/81/953930781.db2.gz ZAMIMFAYLJQSEE-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283026401 953930790 /nfs/dbraw/zinc/93/07/90/953930790.db2.gz ZAMIMFAYLJQSEE-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)C12CCC[NH+](CCC1)C2)N(C)C ZINC001283084978 953991920 /nfs/dbraw/zinc/99/19/20/953991920.db2.gz BADVVYFAMAJGOJ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NCC(C)(C)C ZINC001366319490 954019408 /nfs/dbraw/zinc/01/94/08/954019408.db2.gz CQUXQWZZDDWUBA-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2cnn(C)c2)C1 ZINC001283111049 954020820 /nfs/dbraw/zinc/02/08/20/954020820.db2.gz MDJWNNFVOGKAFF-WKILWMFISA-N 1 3 321.469 0.787 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001366354564 954083891 /nfs/dbraw/zinc/08/38/91/954083891.db2.gz OIELOCKJKVGKFO-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001366380867 954125615 /nfs/dbraw/zinc/12/56/15/954125615.db2.gz IVAMJSGZBISUHN-LSDHHAIUSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001366380749 954125908 /nfs/dbraw/zinc/12/59/08/954125908.db2.gz AAYZCCSJTKLGQH-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001366380749 954125914 /nfs/dbraw/zinc/12/59/14/954125914.db2.gz AAYZCCSJTKLGQH-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001366410809 954165408 /nfs/dbraw/zinc/16/54/08/954165408.db2.gz KSQPEFUYAJEQPW-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001366410815 954165807 /nfs/dbraw/zinc/16/58/07/954165807.db2.gz KSQPEFUYAJEQPW-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001366412463 954168824 /nfs/dbraw/zinc/16/88/24/954168824.db2.gz SYPYKXSJTAUZKZ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001366441019 954198029 /nfs/dbraw/zinc/19/80/29/954198029.db2.gz UZDHRCWPQIVLOK-LSDHHAIUSA-N 1 3 322.457 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001283290600 954223127 /nfs/dbraw/zinc/22/31/27/954223127.db2.gz UTAIPXVVMLWUHL-CQSZACIVSA-N 1 3 324.469 0.293 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001283321739 954254384 /nfs/dbraw/zinc/25/43/84/954254384.db2.gz IUFAKKKHUSIBBU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001283321739 954254396 /nfs/dbraw/zinc/25/43/96/954254396.db2.gz IUFAKKKHUSIBBU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NCc1ccn(C)n1 ZINC001366480042 954255525 /nfs/dbraw/zinc/25/55/25/954255525.db2.gz ATFJWQCRZHNQTE-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)NCc1ccn(C)n1 ZINC001366480042 954255535 /nfs/dbraw/zinc/25/55/35/954255535.db2.gz ATFJWQCRZHNQTE-UONOGXRCSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1cnc(CN[C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001366500117 954284239 /nfs/dbraw/zinc/28/42/39/954284239.db2.gz SNYOVXRJUZJNRQ-ZDUSSCGKSA-N 1 3 317.437 0.865 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC001366514785 954307422 /nfs/dbraw/zinc/30/74/22/954307422.db2.gz VHALVEUZHZBPQC-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCc2cnn(C)c2)CC[N@@H+]1C ZINC001366565050 954432409 /nfs/dbraw/zinc/43/24/09/954432409.db2.gz QLLYSIUQUKTMGQ-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCc2cnn(C)c2)CC[N@H+]1C ZINC001366565050 954432418 /nfs/dbraw/zinc/43/24/18/954432418.db2.gz QLLYSIUQUKTMGQ-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001349070234 954591121 /nfs/dbraw/zinc/59/11/21/954591121.db2.gz VFQBVNHRDXZRHT-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001349070235 954591250 /nfs/dbraw/zinc/59/12/50/954591250.db2.gz VFQBVNHRDXZRHT-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO CCN1CC[C@H](N2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001366689815 954659913 /nfs/dbraw/zinc/65/99/13/954659913.db2.gz NQHIAIWHXCIWJN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)CN(C)C1CCC1 ZINC001366768622 954807534 /nfs/dbraw/zinc/80/75/34/954807534.db2.gz PFDUARFJJIOTTL-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001366812085 954873720 /nfs/dbraw/zinc/87/37/20/954873720.db2.gz IHDCVPZSBYTOOP-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)CN1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001366835547 954910088 /nfs/dbraw/zinc/91/00/88/954910088.db2.gz KOQDFVYOXRFOPT-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366871755 954973318 /nfs/dbraw/zinc/97/33/18/954973318.db2.gz PAVSOUUONPQTNJ-KGLIPLIRSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001366871755 954973334 /nfs/dbraw/zinc/97/33/34/954973334.db2.gz PAVSOUUONPQTNJ-KGLIPLIRSA-N 1 3 312.458 0.371 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001366884445 954990978 /nfs/dbraw/zinc/99/09/78/954990978.db2.gz MJEDTZGRHBUBQQ-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001366884445 954990990 /nfs/dbraw/zinc/99/09/90/954990990.db2.gz MJEDTZGRHBUBQQ-CYBMUJFWSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001366884449 954991602 /nfs/dbraw/zinc/99/16/02/954991602.db2.gz MJEDTZGRHBUBQQ-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001366884449 954991616 /nfs/dbraw/zinc/99/16/16/954991616.db2.gz MJEDTZGRHBUBQQ-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)NC(C)C ZINC001367115597 955337451 /nfs/dbraw/zinc/33/74/51/955337451.db2.gz PBHBEBKVMUYXEE-CQSZACIVSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)CC ZINC001367124246 955352821 /nfs/dbraw/zinc/35/28/21/955352821.db2.gz IAWKDYRGGDXVMU-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N[C@@H](C)CC ZINC001367136117 955374920 /nfs/dbraw/zinc/37/49/20/955374920.db2.gz ILSQKEVIKDZZEV-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367213949 955464652 /nfs/dbraw/zinc/46/46/52/955464652.db2.gz NRBPQMBPJAIQDF-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001367213949 955464660 /nfs/dbraw/zinc/46/46/60/955464660.db2.gz NRBPQMBPJAIQDF-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCCNC1=O ZINC001367242176 955513018 /nfs/dbraw/zinc/51/30/18/955513018.db2.gz KGMCFQDIHDFVGL-JSGCOSHPSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001367288211 955592109 /nfs/dbraw/zinc/59/21/09/955592109.db2.gz KEVCFRCSUDJOEN-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CCCC1 ZINC001367322922 955644933 /nfs/dbraw/zinc/64/49/33/955644933.db2.gz BTZHMXAVXDXUIT-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CCCC1 ZINC001367322923 955646252 /nfs/dbraw/zinc/64/62/52/955646252.db2.gz BTZHMXAVXDXUIT-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001353494189 956081967 /nfs/dbraw/zinc/08/19/67/956081967.db2.gz BESZNYILOIEMFT-LBPRGKRZSA-N 1 3 309.414 0.375 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)c1cc2n(n1)CCC[C@@H]2N ZINC001353494189 956081979 /nfs/dbraw/zinc/08/19/79/956081979.db2.gz BESZNYILOIEMFT-LBPRGKRZSA-N 1 3 309.414 0.375 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001480530715 956128474 /nfs/dbraw/zinc/12/84/74/956128474.db2.gz MXMVCMVLPSCMJS-WDEREUQCSA-N 1 3 308.430 0.610 20 0 DCADHO C[C@@H](NC[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001367376152 957740387 /nfs/dbraw/zinc/74/03/87/957740387.db2.gz LXQKONKBZIHSKI-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCCN1C ZINC001367386314 957753103 /nfs/dbraw/zinc/75/31/03/957753103.db2.gz RMNPLOHQTTYDTR-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367422816 957798982 /nfs/dbraw/zinc/79/89/82/957798982.db2.gz AJSWYZJHJVHUBC-CVEARBPZSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367422816 957798993 /nfs/dbraw/zinc/79/89/93/957798993.db2.gz AJSWYZJHJVHUBC-CVEARBPZSA-N 1 3 321.469 0.992 20 0 DCADHO COC[C@@H](C)N(C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367543176 958002178 /nfs/dbraw/zinc/00/21/78/958002178.db2.gz TUKLQEWTOUNFDZ-CQSZACIVSA-N 1 3 315.458 0.522 20 0 DCADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001367677490 958338091 /nfs/dbraw/zinc/33/80/91/958338091.db2.gz RWROEOSQBJHONQ-KGLIPLIRSA-N 1 3 315.458 0.353 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC1CCCC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001367759228 958517001 /nfs/dbraw/zinc/51/70/01/958517001.db2.gz GDHQDUHNDMAAOV-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)NC2CC2)C1 ZINC001376792423 958852171 /nfs/dbraw/zinc/85/21/71/958852171.db2.gz VKAXQMZUVDOTNV-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCC(=O)NC2CC2)C1 ZINC001376792423 958852182 /nfs/dbraw/zinc/85/21/82/958852182.db2.gz VKAXQMZUVDOTNV-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H]([NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001376805584 958879111 /nfs/dbraw/zinc/87/91/11/958879111.db2.gz XUWLIEGGCDBIQB-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO CCC(CC)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376918196 959134686 /nfs/dbraw/zinc/13/46/86/959134686.db2.gz JVEDXGSLTOAIMT-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001368090379 959218226 /nfs/dbraw/zinc/21/82/26/959218226.db2.gz CGTSKAPHKHOCSJ-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001368096885 959229349 /nfs/dbraw/zinc/22/93/49/959229349.db2.gz DWKMECBRYLGJTF-OLZOCXBDSA-N 1 3 308.426 0.069 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001491850703 959304555 /nfs/dbraw/zinc/30/45/55/959304555.db2.gz XANRJOUMJMGQRS-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CCn3cccn3)C2)CCC1 ZINC001491811069 959324596 /nfs/dbraw/zinc/32/45/96/959324596.db2.gz BMYXOVXECHJGAP-OAHLLOKOSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCO ZINC001377063781 959415702 /nfs/dbraw/zinc/41/57/02/959415702.db2.gz BRDKNNOOJDQWDW-SWLSCSKDSA-N 1 3 303.422 0.676 20 0 DCADHO CNC(=O)CN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001368215867 959454214 /nfs/dbraw/zinc/45/42/14/959454214.db2.gz FXFPNZSWHQTGIU-PBHICJAKSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001368215867 959454223 /nfs/dbraw/zinc/45/42/23/959454223.db2.gz FXFPNZSWHQTGIU-PBHICJAKSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCN(CC2CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC001362633019 959736596 /nfs/dbraw/zinc/73/65/96/959736596.db2.gz FVLMRAVUYUXCKN-UHFFFAOYSA-N 1 3 320.481 0.567 20 0 DCADHO CC[N@H+](C)CCC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001368449552 959881762 /nfs/dbraw/zinc/88/17/62/959881762.db2.gz OWUAOUAUFRRVCU-UHFFFAOYSA-N 1 3 319.449 0.995 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCc1cccc2c1CCN(CCO)C2 ZINC001368449552 959881768 /nfs/dbraw/zinc/88/17/68/959881768.db2.gz OWUAOUAUFRRVCU-UHFFFAOYSA-N 1 3 319.449 0.995 20 0 DCADHO CC[C@H](C)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368627283 960104974 /nfs/dbraw/zinc/10/49/74/960104974.db2.gz YCQCFODFXGEBNT-BBRMVZONSA-N 1 3 308.426 0.941 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)NCC1CC1 ZINC001368648534 960121299 /nfs/dbraw/zinc/12/12/99/960121299.db2.gz FJHJGXNTCRIPGU-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NCc1cnnn1C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001377833837 960765074 /nfs/dbraw/zinc/76/50/74/960765074.db2.gz JUXCVWVSFQBMGT-STQMWFEESA-N 1 3 322.457 0.672 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)c3ccc(C[NH3+])cc3)C2)nn1 ZINC001549047808 1013247589 /nfs/dbraw/zinc/24/75/89/1013247589.db2.gz ZOJVGRPKROOHEK-HNNXBMFYSA-N 1 3 314.393 0.673 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3CC34CC[NH2+]CC4)C2)nn1 ZINC001549047314 1013248981 /nfs/dbraw/zinc/24/89/81/1013248981.db2.gz OMKIFBPXKVSYPF-UONOGXRCSA-N 1 3 318.425 0.290 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001378870234 961637688 /nfs/dbraw/zinc/63/76/88/961637688.db2.gz UHBWLUMNUBVLEB-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO O[C@@H]1CC[N@H+](Cc2ccc(CNC3COCCOC3)cc2)C1 ZINC001363658219 961643748 /nfs/dbraw/zinc/64/37/48/961643748.db2.gz VOFQYJWSKWIFMB-QGZVFWFLSA-N 1 3 306.406 0.758 20 0 DCADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNC3COCCOC3)cc2)C1 ZINC001363658219 961643759 /nfs/dbraw/zinc/64/37/59/961643759.db2.gz VOFQYJWSKWIFMB-QGZVFWFLSA-N 1 3 306.406 0.758 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)c1 ZINC001378890578 961663523 /nfs/dbraw/zinc/66/35/23/961663523.db2.gz IUWMLFCXQACXNU-CTYIDZIISA-N 1 3 318.421 0.332 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001378933066 961728054 /nfs/dbraw/zinc/72/80/54/961728054.db2.gz STGBBEFQIWHZBG-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001379725003 961864448 /nfs/dbraw/zinc/86/44/48/961864448.db2.gz HUMQKMGHSAPXDM-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1 ZINC001379730538 961877525 /nfs/dbraw/zinc/87/75/25/961877525.db2.gz VTAMQBFVSXAWPH-CQSZACIVSA-N 1 3 322.457 0.445 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1)[NH+](C)C ZINC001430256446 1013294290 /nfs/dbraw/zinc/29/42/90/1013294290.db2.gz BCOLQVRNTDYLCF-INIZCTEOSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCn1cccn1 ZINC001379045838 961965139 /nfs/dbraw/zinc/96/51/39/961965139.db2.gz MUDHRLUYNYFDGL-JKSUJKDBSA-N 1 3 321.469 0.955 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC001379056074 961989917 /nfs/dbraw/zinc/98/99/17/961989917.db2.gz LMBSGLYKXMDBFU-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001379940686 962339569 /nfs/dbraw/zinc/33/95/69/962339569.db2.gz SDNPODQCCRYWJA-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001379940686 962339581 /nfs/dbraw/zinc/33/95/81/962339581.db2.gz SDNPODQCCRYWJA-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO C[NH+]1CCC(CC(=O)NC[C@@H](O)CNCc2cccnc2)CC1 ZINC001379262001 962487365 /nfs/dbraw/zinc/48/73/65/962487365.db2.gz WLYACNSABZFZBG-INIZCTEOSA-N 1 3 320.437 0.380 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001379304027 962581299 /nfs/dbraw/zinc/58/12/99/962581299.db2.gz LRKYKRAKWFGYFV-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001379304027 962581314 /nfs/dbraw/zinc/58/13/14/962581314.db2.gz LRKYKRAKWFGYFV-BFHYXJOUSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)C1(N(C)C)CCC1 ZINC001379381582 962781781 /nfs/dbraw/zinc/78/17/81/962781781.db2.gz IXVNFZRMIMUZHV-GFCCVEGCSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001379428676 962901580 /nfs/dbraw/zinc/90/15/80/962901580.db2.gz AAHKFBLCRBABLA-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001379435150 962915402 /nfs/dbraw/zinc/91/54/02/962915402.db2.gz SUISDMDQUVNYEX-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO NC(=O)CNC[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001380293102 963006576 /nfs/dbraw/zinc/00/65/76/963006576.db2.gz WGSOPOISHMAZKO-AWEZNQCLSA-N 1 3 310.442 0.318 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC(C)C ZINC001379509679 963097184 /nfs/dbraw/zinc/09/71/84/963097184.db2.gz MFTXLWBXEOJBJS-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC(C)C ZINC001379509679 963097198 /nfs/dbraw/zinc/09/71/98/963097198.db2.gz MFTXLWBXEOJBJS-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001379597568 963243572 /nfs/dbraw/zinc/24/35/72/963243572.db2.gz KAZRYKCTHRASLR-SWLSCSKDSA-N 1 3 307.442 0.759 20 0 DCADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC[C@H](C)F)C1 ZINC001380565041 963366784 /nfs/dbraw/zinc/36/67/84/963366784.db2.gz MLNKYOMMRHPOAO-ZFWWWQNUSA-N 1 3 303.422 0.629 20 0 DCADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC[C@H](C)F)C1 ZINC001380565041 963366795 /nfs/dbraw/zinc/36/67/95/963366795.db2.gz MLNKYOMMRHPOAO-ZFWWWQNUSA-N 1 3 303.422 0.629 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2cn(C)nn2)C1 ZINC001380675909 963481014 /nfs/dbraw/zinc/48/10/14/963481014.db2.gz VBUWZLTXOKEECH-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)NCc2cn(C)nn2)C1 ZINC001380675909 963481017 /nfs/dbraw/zinc/48/10/17/963481017.db2.gz VBUWZLTXOKEECH-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCn2cccn2)CCC1 ZINC001380900908 963668168 /nfs/dbraw/zinc/66/81/68/963668168.db2.gz CGPFYXJHAOGOKL-UHFFFAOYSA-N 1 3 307.442 0.852 20 0 DCADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001381106472 963818516 /nfs/dbraw/zinc/81/85/16/963818516.db2.gz WPCDNHRHKWMIOD-UONOGXRCSA-N 1 3 315.458 0.305 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001381126829 963832375 /nfs/dbraw/zinc/83/23/75/963832375.db2.gz DPFYTSWDDWOYCE-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO CO[C@@H](C)C[NH+]1CCC(CO)(NC(=O)CN(C)C(C)C)CC1 ZINC001381268126 963931688 /nfs/dbraw/zinc/93/16/88/963931688.db2.gz OBAMYYXOBOUTEN-AWEZNQCLSA-N 1 3 315.458 0.305 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001381275876 963935312 /nfs/dbraw/zinc/93/53/12/963935312.db2.gz ODHAXAQMJAYPSE-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCn1cncn1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001381312712 963963930 /nfs/dbraw/zinc/96/39/30/963963930.db2.gz BDOZLXLEACPMSL-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001381312712 963963937 /nfs/dbraw/zinc/96/39/37/963963937.db2.gz BDOZLXLEACPMSL-LSDHHAIUSA-N 1 3 320.441 0.153 20 0 DCADHO CC1([NH2+]CC(=O)NC2CC2)CCN(C(=O)CN2CCCC2)CC1 ZINC001447570084 1013471024 /nfs/dbraw/zinc/47/10/24/1013471024.db2.gz OUGQXECDWXELRD-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+][C@@H]1CCCNC1=O)C1CC1)C1CCC1 ZINC001375229598 964155665 /nfs/dbraw/zinc/15/56/65/964155665.db2.gz ODLPGWNVZWEKRR-CABCVRRESA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H](NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(N)=O ZINC001375450880 964415778 /nfs/dbraw/zinc/41/57/78/964415778.db2.gz IBIKXRVJWHHPJH-GFCCVEGCSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001375558627 964550159 /nfs/dbraw/zinc/55/01/59/964550159.db2.gz TXRAKSJQFBMIPU-IHRRRGAJSA-N 1 3 308.430 0.103 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001375748904 964790093 /nfs/dbraw/zinc/79/00/93/964790093.db2.gz VYWGIOZHSQLLEZ-NWDGAFQWSA-N 1 3 307.398 0.010 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CC(C)(C)C2)C1 ZINC001369358589 964818533 /nfs/dbraw/zinc/81/85/33/964818533.db2.gz CYTUMRBEQKMZHT-HIFRSBDPSA-N 1 3 311.470 0.831 20 0 DCADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C)C(N)=O ZINC001373964078 964824655 /nfs/dbraw/zinc/82/46/55/964824655.db2.gz PDMZUJSRYQVYDT-RDBSUJKOSA-N 1 3 312.458 0.417 20 0 DCADHO CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001369393782 964888248 /nfs/dbraw/zinc/88/82/48/964888248.db2.gz AZBFEHNSXADJKU-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001375895889 964963800 /nfs/dbraw/zinc/96/38/00/964963800.db2.gz KDUILAQELCNGHA-PBHICJAKSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C)N(C)C ZINC001374067601 964968850 /nfs/dbraw/zinc/96/88/50/964968850.db2.gz AHMCPBWRXZSPSU-TZMCWYRMSA-N 1 3 300.447 0.003 20 0 DCADHO CC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001369479094 965048017 /nfs/dbraw/zinc/04/80/17/965048017.db2.gz ZQTADQJDANZCET-WFASDCNBSA-N 1 3 303.422 0.628 20 0 DCADHO CC[C@H](C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1)OC ZINC001376094350 965190727 /nfs/dbraw/zinc/19/07/27/965190727.db2.gz KXSYJBXLBAKWEQ-ZBFHGGJFSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1)OC ZINC001376094350 965190729 /nfs/dbraw/zinc/19/07/29/965190729.db2.gz KXSYJBXLBAKWEQ-ZBFHGGJFSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374284243 965224443 /nfs/dbraw/zinc/22/44/43/965224443.db2.gz TZNJPMOETCZYQC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374284243 965224450 /nfs/dbraw/zinc/22/44/50/965224450.db2.gz TZNJPMOETCZYQC-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCNC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001447811775 1013560053 /nfs/dbraw/zinc/56/00/53/1013560053.db2.gz OLUQFFLIRLUDQN-WLYUNCDWSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1NCc1nncn1C ZINC001374387288 965332602 /nfs/dbraw/zinc/33/26/02/965332602.db2.gz SAZJGJMHVNBDDK-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376345981 965547421 /nfs/dbraw/zinc/54/74/21/965547421.db2.gz NWPFGZBMQCRZKW-OLZOCXBDSA-N 1 3 321.425 0.303 20 0 DCADHO C[C@@H]([NH2+]CCn1cncn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376347883 965551332 /nfs/dbraw/zinc/55/13/32/965551332.db2.gz PLMANCVVLMNHSO-HUUCEWRRSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)C1 ZINC001376376827 965591884 /nfs/dbraw/zinc/59/18/84/965591884.db2.gz ITQJLGDMPOAHKN-XQLPTFJDSA-N 1 3 322.453 0.173 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3CC(N)=O)C1 ZINC001376376827 965591892 /nfs/dbraw/zinc/59/18/92/965591892.db2.gz ITQJLGDMPOAHKN-XQLPTFJDSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)OCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001376417579 965634355 /nfs/dbraw/zinc/63/43/55/965634355.db2.gz JXAKYQSPMPWMSO-OKILXGFUSA-N 1 3 306.410 0.767 20 0 DCADHO CC(C)OCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001376417579 965634360 /nfs/dbraw/zinc/63/43/60/965634360.db2.gz JXAKYQSPMPWMSO-OKILXGFUSA-N 1 3 306.410 0.767 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)C(=O)NC)C1 ZINC001376583287 965856512 /nfs/dbraw/zinc/85/65/12/965856512.db2.gz YFWSYLQQRKTCOT-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001376615098 965895625 /nfs/dbraw/zinc/89/56/25/965895625.db2.gz JGRMREGDYBJDTC-SYQHCUMBSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cnn(C)c1)C1CC1)N(C)C ZINC001370263557 965932770 /nfs/dbraw/zinc/93/27/70/965932770.db2.gz INXREXCXKICWCE-CVEARBPZSA-N 1 3 321.469 0.991 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374804940 965953973 /nfs/dbraw/zinc/95/39/73/965953973.db2.gz HKTMWSYKINLIGE-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001374834891 966004972 /nfs/dbraw/zinc/00/49/72/966004972.db2.gz OMLCHPRESIZFDO-CYBMUJFWSA-N 1 3 322.453 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001374873546 966066011 /nfs/dbraw/zinc/06/60/11/966066011.db2.gz MTWOXXNYVXPROR-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001374873546 966066017 /nfs/dbraw/zinc/06/60/17/966066017.db2.gz MTWOXXNYVXPROR-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001376757201 966126518 /nfs/dbraw/zinc/12/65/18/966126518.db2.gz QJEHEQFDJYWPFI-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001376757201 966126524 /nfs/dbraw/zinc/12/65/24/966126524.db2.gz QJEHEQFDJYWPFI-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374923372 966144654 /nfs/dbraw/zinc/14/46/54/966144654.db2.gz ZOBDDCBMJHXVJN-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001374981059 966193210 /nfs/dbraw/zinc/19/32/10/966193210.db2.gz GJFGTTXVKXAGIM-JSGCOSHPSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001370676057 966363807 /nfs/dbraw/zinc/36/38/07/966363807.db2.gz IBYSMOUHLLKEDI-XQQFMLRXSA-N 1 3 312.458 0.465 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001370716299 966409964 /nfs/dbraw/zinc/40/99/64/966409964.db2.gz ALAKRBVVKXMBQR-KBXIAJHMSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001370732660 966424352 /nfs/dbraw/zinc/42/43/52/966424352.db2.gz MVCIGLSYBSIVDI-FPMFFAJLSA-N 1 3 310.442 0.231 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001381480946 966450366 /nfs/dbraw/zinc/45/03/66/966450366.db2.gz GCOYZWHEMMCJIP-LLVKDONJSA-N 1 3 309.414 0.161 20 0 DCADHO Cc1nc(CN[C@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001447926397 1013653054 /nfs/dbraw/zinc/65/30/54/1013653054.db2.gz JETFMKBUNJTPLS-MNOVXSKESA-N 1 3 306.414 0.192 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCN1CCCC1=O ZINC001447936422 1013659432 /nfs/dbraw/zinc/65/94/32/1013659432.db2.gz SRDCPOVKVOADJD-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370952429 966615621 /nfs/dbraw/zinc/61/56/21/966615621.db2.gz RPFZKUBSYIPKQF-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370952429 966615625 /nfs/dbraw/zinc/61/56/25/966615625.db2.gz RPFZKUBSYIPKQF-GJZGRUSLSA-N 1 3 324.469 0.705 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCO)C[C@H]2C1 ZINC001381924155 966783750 /nfs/dbraw/zinc/78/37/50/966783750.db2.gz GAWSQDPJLILGSN-ARFHVFGLSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCO)C[C@H]2C1 ZINC001381924155 966783754 /nfs/dbraw/zinc/78/37/54/966783754.db2.gz GAWSQDPJLILGSN-ARFHVFGLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001371205418 966812143 /nfs/dbraw/zinc/81/21/43/966812143.db2.gz SWNLJVBMIIALSY-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001381980188 966841674 /nfs/dbraw/zinc/84/16/74/966841674.db2.gz FOPMWQNHHDKSCO-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001381980188 966841680 /nfs/dbraw/zinc/84/16/80/966841680.db2.gz FOPMWQNHHDKSCO-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382021670 966871248 /nfs/dbraw/zinc/87/12/48/966871248.db2.gz VNDMGOJMJQRGEX-OCCSQVGLSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001371311739 966893391 /nfs/dbraw/zinc/89/33/91/966893391.db2.gz PQMRGNNPGCVLCZ-ZDUSSCGKSA-N 1 3 320.437 0.245 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1cncn1C ZINC001382151726 966985607 /nfs/dbraw/zinc/98/56/07/966985607.db2.gz KLTUYNBGFXZQIL-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1cncn1C ZINC001382151726 966985610 /nfs/dbraw/zinc/98/56/10/966985610.db2.gz KLTUYNBGFXZQIL-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001382163789 966996305 /nfs/dbraw/zinc/99/63/05/966996305.db2.gz QPTALPJUJNAESP-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001382163789 966996307 /nfs/dbraw/zinc/99/63/07/966996307.db2.gz QPTALPJUJNAESP-DZGCQCFKSA-N 1 3 320.437 0.978 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001447994154 1013692272 /nfs/dbraw/zinc/69/22/72/1013692272.db2.gz VQBABZRPCKOIHI-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001447994154 1013692276 /nfs/dbraw/zinc/69/22/76/1013692276.db2.gz VQBABZRPCKOIHI-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN1CCC[C@H](N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001371532360 967087347 /nfs/dbraw/zinc/08/73/47/967087347.db2.gz RTKFDKOIPBOEGX-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001371531362 967088017 /nfs/dbraw/zinc/08/80/17/967088017.db2.gz CCEKDWRQFTVRAD-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001371531362 967088026 /nfs/dbraw/zinc/08/80/26/967088026.db2.gz CCEKDWRQFTVRAD-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001371542665 967101849 /nfs/dbraw/zinc/10/18/49/967101849.db2.gz DVYJYYVUPCAXFZ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001371573408 967133668 /nfs/dbraw/zinc/13/36/68/967133668.db2.gz OPFFYTKWTWOTFO-CABCVRRESA-N 1 3 322.453 0.141 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC001382270551 967147316 /nfs/dbraw/zinc/14/73/16/967147316.db2.gz CQTHFLGXQHWESG-DLBZAZTESA-N 1 3 319.449 0.822 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001382270551 967147321 /nfs/dbraw/zinc/14/73/21/967147321.db2.gz CQTHFLGXQHWESG-DLBZAZTESA-N 1 3 319.449 0.822 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001371618257 967177094 /nfs/dbraw/zinc/17/70/94/967177094.db2.gz NQOBWDMZBDUVAW-OAHLLOKOSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001371624734 967181632 /nfs/dbraw/zinc/18/16/32/967181632.db2.gz FQAFRASTRNPZNS-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)[C@H]1C ZINC001382300688 967185654 /nfs/dbraw/zinc/18/56/54/967185654.db2.gz CWTCRMHHVDFSOH-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001371633236 967187467 /nfs/dbraw/zinc/18/74/67/967187467.db2.gz IQGCDICUNFRIGV-KBPBESRZSA-N 1 3 312.458 0.338 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001382392337 967316723 /nfs/dbraw/zinc/31/67/23/967316723.db2.gz WVJCOUXRHCTLQH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001371825473 967369608 /nfs/dbraw/zinc/36/96/08/967369608.db2.gz ARQQUXSUFBZMSZ-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO COCCN(C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001382475486 967424295 /nfs/dbraw/zinc/42/42/95/967424295.db2.gz UOGSPHPSSRFSLY-AWEZNQCLSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001382505688 967451406 /nfs/dbraw/zinc/45/14/06/967451406.db2.gz PNTLIMQTDAPOAX-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001382505688 967451412 /nfs/dbraw/zinc/45/14/12/967451412.db2.gz PNTLIMQTDAPOAX-CABCVRRESA-N 1 3 315.458 0.114 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001372142272 967679575 /nfs/dbraw/zinc/67/95/75/967679575.db2.gz WZFQPAZHPJIKPT-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](O)CC(F)(F)F ZINC001372183925 967723134 /nfs/dbraw/zinc/72/31/34/967723134.db2.gz PEUOVPZUUIJSHZ-LLVKDONJSA-N 1 3 323.359 0.444 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382989578 967830056 /nfs/dbraw/zinc/83/00/56/967830056.db2.gz AUGIVBCSCFUWFE-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001382989578 967830068 /nfs/dbraw/zinc/83/00/68/967830068.db2.gz AUGIVBCSCFUWFE-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)CCC1 ZINC001372399228 967959777 /nfs/dbraw/zinc/95/97/77/967959777.db2.gz QQECNCYXUCYHOQ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)CCN[C@@H]1CCCNC1=O)[NH+](CC)CC ZINC001372944974 968553394 /nfs/dbraw/zinc/55/33/94/968553394.db2.gz IYHWDCYTXCXRDB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001373028764 968645869 /nfs/dbraw/zinc/64/58/69/968645869.db2.gz HSRFJLMVHLURDH-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373234244 968834821 /nfs/dbraw/zinc/83/48/21/968834821.db2.gz IRCQGWPAFCDZCV-ZIAGYGMSSA-N 1 3 322.453 0.045 20 0 DCADHO CN(Cc1cnn(C)c1)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001373293097 968907369 /nfs/dbraw/zinc/90/73/69/968907369.db2.gz NSZYQGZMCQQQSX-AWEZNQCLSA-N 1 3 307.442 0.652 20 0 DCADHO C[C@H](NCCF)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001448452475 1013916670 /nfs/dbraw/zinc/91/66/70/1013916670.db2.gz GRFHLCROYHQWJE-UONOGXRCSA-N 1 3 313.417 0.790 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001449029628 1014143829 /nfs/dbraw/zinc/14/38/29/1014143829.db2.gz XMMHKVOSRNAUKT-KBPBESRZSA-N 1 3 312.458 0.430 20 0 DCADHO N[C@@H](CC(F)F)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001549132715 1014145683 /nfs/dbraw/zinc/14/56/83/1014145683.db2.gz PXNZDVPQTLVTNY-KXNHARMFSA-N 1 3 305.369 0.856 20 0 DCADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001549153898 1014154546 /nfs/dbraw/zinc/15/45/46/1014154546.db2.gz BSKJJOJFHJOHRM-CAOSSQGBSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001549153898 1014154553 /nfs/dbraw/zinc/15/45/53/1014154553.db2.gz BSKJJOJFHJOHRM-CAOSSQGBSA-N 1 3 322.453 0.464 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)[NH+](CC)CC ZINC001449074594 1014169099 /nfs/dbraw/zinc/16/90/99/1014169099.db2.gz CINPHYDRWCCCSE-QWHCGFSZSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CC1(C(=O)N2C[C@H](N[C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC001449093431 1014184060 /nfs/dbraw/zinc/18/40/60/1014184060.db2.gz KWDFITYPUZWNAZ-STQMWFEESA-N 1 3 322.453 0.043 20 0 DCADHO C[NH+](C)CC1(C(=O)N2C[C@@H](N[C@@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC001449093428 1014184361 /nfs/dbraw/zinc/18/43/61/1014184361.db2.gz KWDFITYPUZWNAZ-CHWSQXEVSA-N 1 3 322.453 0.043 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CCCC[NH2+]C3)C2)nn1 ZINC001549286953 1014192643 /nfs/dbraw/zinc/19/26/43/1014192643.db2.gz ILIPTUQMZJZBDA-OCCSQVGLSA-N 1 3 306.414 0.290 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C ZINC001522827458 1014406498 /nfs/dbraw/zinc/40/64/98/1014406498.db2.gz PYSZLWGWCVRERZ-ILXRZTDVSA-N 1 3 315.458 0.569 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C ZINC001522827458 1014406504 /nfs/dbraw/zinc/40/65/04/1014406504.db2.gz PYSZLWGWCVRERZ-ILXRZTDVSA-N 1 3 315.458 0.569 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001449364737 1014437949 /nfs/dbraw/zinc/43/79/49/1014437949.db2.gz PGWXWNWPZYBWMA-NRXISQOPSA-N 1 3 324.469 0.526 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549743747 1014440784 /nfs/dbraw/zinc/44/07/84/1014440784.db2.gz YFLIKVQJQAEYKE-BLLLJJGKSA-N 1 3 319.409 0.024 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCC[C@@H]1C ZINC001449393241 1014455231 /nfs/dbraw/zinc/45/52/31/1014455231.db2.gz QCEWTOPPEVQEAT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCC[C@@H]1C ZINC001449393241 1014455234 /nfs/dbraw/zinc/45/52/34/1014455234.db2.gz QCEWTOPPEVQEAT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCCNC(=O)CN(C)C1CCC1 ZINC001522941218 1014482700 /nfs/dbraw/zinc/48/27/00/1014482700.db2.gz GCTQSLNBKTVFRK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCCNC(=O)CN(C)C1CCC1 ZINC001522941218 1014482708 /nfs/dbraw/zinc/48/27/08/1014482708.db2.gz GCTQSLNBKTVFRK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3coc(CN)c3)CC2)C1=O ZINC001550092527 1014563072 /nfs/dbraw/zinc/56/30/72/1014563072.db2.gz INRVSHZJDPBXAN-CQSZACIVSA-N 1 3 320.393 0.163 20 0 DCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC001550121865 1014588280 /nfs/dbraw/zinc/58/82/80/1014588280.db2.gz FFHANCGGZQMHOZ-GJZGRUSLSA-N 1 3 318.425 0.511 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001529783493 1014612931 /nfs/dbraw/zinc/61/29/31/1014612931.db2.gz VHUMKDJKCSROFN-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001529783493 1014612941 /nfs/dbraw/zinc/61/29/41/1014612941.db2.gz VHUMKDJKCSROFN-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)(C)[C@@H]([NH3+])C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550201901 1014625076 /nfs/dbraw/zinc/62/50/76/1014625076.db2.gz JYAPBPGMMVALDO-ZDUSSCGKSA-N 1 3 324.469 0.692 20 0 DCADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001550287561 1014652583 /nfs/dbraw/zinc/65/25/83/1014652583.db2.gz KCAIZLXLWSZEBM-WFDRTZIDSA-N 1 3 322.453 0.679 20 0 DCADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001550287558 1014653287 /nfs/dbraw/zinc/65/32/87/1014653287.db2.gz KCAIZLXLWSZEBM-GWONACJQSA-N 1 3 322.453 0.679 20 0 DCADHO Cc1c([C@@H]2CN(C[C@@H]3C[NH2+]C[C@H]3C)C[C@@H]2C(N)=O)cnn1C ZINC001550349378 1014677125 /nfs/dbraw/zinc/67/71/25/1014677125.db2.gz PNMRNZFFTCGHGB-WCUVEOEZSA-N 1 3 305.426 0.085 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001550366904 1014683362 /nfs/dbraw/zinc/68/33/62/1014683362.db2.gz UPLYFZWCBVBVBX-IRXDYDNUSA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001550366904 1014683365 /nfs/dbraw/zinc/68/33/65/1014683365.db2.gz UPLYFZWCBVBVBX-IRXDYDNUSA-N 1 3 320.481 0.709 20 0 DCADHO CC[C@H](C(=O)N(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001523410041 1014694303 /nfs/dbraw/zinc/69/43/03/1014694303.db2.gz CADBWGMTHZPMCO-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001523410041 1014694307 /nfs/dbraw/zinc/69/43/07/1014694307.db2.gz CADBWGMTHZPMCO-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449924169 1014788643 /nfs/dbraw/zinc/78/86/43/1014788643.db2.gz MWAICANWPLFTTK-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449924169 1014788651 /nfs/dbraw/zinc/78/86/51/1014788651.db2.gz MWAICANWPLFTTK-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001550722236 1014817230 /nfs/dbraw/zinc/81/72/30/1014817230.db2.gz GDNYVEATANVACY-VGWMRTNUSA-N 1 3 301.390 0.337 20 0 DCADHO CN1[C@H](CO)C[C@H]2CN(C(=O)NCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC001550750295 1014834467 /nfs/dbraw/zinc/83/44/67/1014834467.db2.gz JEIOJVAKKJIUFD-GAUPFVANSA-N 1 3 322.453 0.223 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)N(C)C(=O)CC[NH+](C)C ZINC001383113782 984680930 /nfs/dbraw/zinc/68/09/30/984680930.db2.gz IPTKIQQULZWAHX-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001383381583 984792943 /nfs/dbraw/zinc/79/29/43/984792943.db2.gz QIXLPQMPFCOJAM-QKDCVEJESA-N 1 3 324.469 0.099 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)CCO1 ZINC001551584863 1015147606 /nfs/dbraw/zinc/14/76/06/1015147606.db2.gz RWUOQYDLRWDIKR-IQXANGCESA-N 1 3 310.442 0.618 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NC2CC3(C[C@@H]3[NH3+])C2)CC1 ZINC001551617695 1015160147 /nfs/dbraw/zinc/16/01/47/1015160147.db2.gz XBHJWTZRJIYSTN-UUCFBXCCSA-N 1 3 323.485 0.582 20 0 DCADHO CC[C@@H](C(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1)N(C)C ZINC001385412316 986332984 /nfs/dbraw/zinc/33/29/84/986332984.db2.gz QGYVRYSUFNXXDE-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001385753041 986570810 /nfs/dbraw/zinc/57/08/10/986570810.db2.gz HJEUHGRURSDUGK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001385753041 986570822 /nfs/dbraw/zinc/57/08/22/986570822.db2.gz HJEUHGRURSDUGK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001385955438 986709321 /nfs/dbraw/zinc/70/93/21/986709321.db2.gz LSXCHDWJXMDYSN-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001386101629 986831625 /nfs/dbraw/zinc/83/16/25/986831625.db2.gz SMNNPJQJLJGEPJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001386280878 987031746 /nfs/dbraw/zinc/03/17/46/987031746.db2.gz ZWAOMAXQSLBPMG-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001386311536 987061760 /nfs/dbraw/zinc/06/17/60/987061760.db2.gz FGGHPLLGLPMPHK-MCIONIFRSA-N 1 3 310.442 0.042 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001386311536 987061768 /nfs/dbraw/zinc/06/17/68/987061768.db2.gz FGGHPLLGLPMPHK-MCIONIFRSA-N 1 3 310.442 0.042 20 0 DCADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)C1 ZINC001552107876 1015274071 /nfs/dbraw/zinc/27/40/71/1015274071.db2.gz WSTLIPIHBWZTNS-CAOSSQGBSA-N 1 3 324.469 0.758 20 0 DCADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)C1 ZINC001552107876 1015274075 /nfs/dbraw/zinc/27/40/75/1015274075.db2.gz WSTLIPIHBWZTNS-CAOSSQGBSA-N 1 3 324.469 0.758 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCCN(C)C2)cnn1C ZINC001552169192 1015303952 /nfs/dbraw/zinc/30/39/52/1015303952.db2.gz ZOAXOULVRLJXQT-QEJZJMRPSA-N 1 3 305.426 0.242 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001386969509 987537749 /nfs/dbraw/zinc/53/77/49/987537749.db2.gz LBSKLUOKTSENQR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NCCN(C)C(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001386969509 987537752 /nfs/dbraw/zinc/53/77/52/987537752.db2.gz LBSKLUOKTSENQR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200149 1015319129 /nfs/dbraw/zinc/31/91/29/1015319129.db2.gz MVPTYTXWCSKNKO-WBVHZDCISA-N 1 3 303.406 0.600 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3(N(C)C)CCC3)C2)CC[N@@H+]1C ZINC001387742680 988107786 /nfs/dbraw/zinc/10/77/86/988107786.db2.gz AWOHWFOVFJFWBS-TZMCWYRMSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)C3(N(C)C)CCC3)C2)CC[N@H+]1C ZINC001387742680 988107791 /nfs/dbraw/zinc/10/77/91/988107791.db2.gz AWOHWFOVFJFWBS-TZMCWYRMSA-N 1 3 322.453 0.138 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001388737150 988548649 /nfs/dbraw/zinc/54/86/49/988548649.db2.gz SXRYYRNWNNETDW-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CN1C(=O)N[C@H]2CN(Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC001552414162 1015421801 /nfs/dbraw/zinc/42/18/01/1015421801.db2.gz AGXMMRSDDPKBDN-JKSUJKDBSA-N 1 3 300.406 0.930 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC001552436868 1015434773 /nfs/dbraw/zinc/43/47/73/1015434773.db2.gz TZVIXFHLKVQXBR-JTQLQIEISA-N 1 3 312.377 0.780 20 0 DCADHO CC(C)OCCN1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001389452376 989267122 /nfs/dbraw/zinc/26/71/22/989267122.db2.gz AOFIQVXOSUTVGD-CVEARBPZSA-N 1 3 309.454 0.944 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001389629887 989445419 /nfs/dbraw/zinc/44/54/19/989445419.db2.gz WTKHCUCZIOHLRB-AWEZNQCLSA-N 1 3 324.469 0.609 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001389629887 989445424 /nfs/dbraw/zinc/44/54/24/989445424.db2.gz WTKHCUCZIOHLRB-AWEZNQCLSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](NCc1cnnn1C)C1CC1)[NH+](C)C ZINC001389700215 989499856 /nfs/dbraw/zinc/49/98/56/989499856.db2.gz ZFTFPNNBHNZJEG-HUUCEWRRSA-N 1 3 322.457 0.386 20 0 DCADHO [NH3+][C@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@H]1n1ccnn1 ZINC001552679611 1015488166 /nfs/dbraw/zinc/48/81/66/1015488166.db2.gz GYKLXCVYGDXFQS-WDEREUQCSA-N 1 3 318.406 0.010 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001389859215 989642908 /nfs/dbraw/zinc/64/29/08/989642908.db2.gz UXAREXZNJPTVJG-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001389859215 989642911 /nfs/dbraw/zinc/64/29/11/989642911.db2.gz UXAREXZNJPTVJG-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1)N(C)C ZINC001389865034 989647352 /nfs/dbraw/zinc/64/73/52/989647352.db2.gz DWOZEPOKXRZKDV-CYUUQNCZSA-N 1 3 324.469 0.478 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001389974622 989720652 /nfs/dbraw/zinc/72/06/52/989720652.db2.gz RDARMKDBCFCKJZ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001389974622 989720659 /nfs/dbraw/zinc/72/06/59/989720659.db2.gz RDARMKDBCFCKJZ-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC001389980969 989726427 /nfs/dbraw/zinc/72/64/27/989726427.db2.gz BJPIVOOBEJRDEB-HZSPNIEDSA-N 1 3 308.430 0.101 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001389978829 989726902 /nfs/dbraw/zinc/72/69/02/989726902.db2.gz YHPCQCAMHMWHBW-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001390110067 989832558 /nfs/dbraw/zinc/83/25/58/989832558.db2.gz SWGCVUSVBRMHDO-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO CN1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC001552768086 1015522312 /nfs/dbraw/zinc/52/23/12/1015522312.db2.gz QUYVIJANQTWUJM-GOEBONIOSA-N 1 3 321.469 0.254 20 0 DCADHO CN1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC001552768086 1015522322 /nfs/dbraw/zinc/52/23/22/1015522322.db2.gz QUYVIJANQTWUJM-GOEBONIOSA-N 1 3 321.469 0.254 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N1CCCC1 ZINC001390471664 990129942 /nfs/dbraw/zinc/12/99/42/990129942.db2.gz ATFXKZKOKMDJQD-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)CN1CCC[C@@H]1C ZINC001527762294 1015540788 /nfs/dbraw/zinc/54/07/88/1015540788.db2.gz ZOBVGLRGRQNXTC-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001390563022 990201291 /nfs/dbraw/zinc/20/12/91/990201291.db2.gz BBDQPPPGQTVGAF-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CO[C@@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CCC1 ZINC001390563691 990202483 /nfs/dbraw/zinc/20/24/83/990202483.db2.gz KZSFFCLQCPAKDJ-ZFWWWQNUSA-N 1 3 306.410 0.958 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001390565252 990204354 /nfs/dbraw/zinc/20/43/54/990204354.db2.gz JUXWUDQKJSSURC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001390565252 990204358 /nfs/dbraw/zinc/20/43/58/990204358.db2.gz JUXWUDQKJSSURC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001390594446 990229189 /nfs/dbraw/zinc/22/91/89/990229189.db2.gz PSKSXCUCBJSUJS-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO Cn1ccc(CNC[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)n1 ZINC001390599863 990235499 /nfs/dbraw/zinc/23/54/99/990235499.db2.gz VQWHYOZLTJXVSE-CQSZACIVSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)N(C)C ZINC001391344031 990764424 /nfs/dbraw/zinc/76/44/24/990764424.db2.gz YGMVVBXSLRJLMV-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)N(C)C ZINC001391344031 990764428 /nfs/dbraw/zinc/76/44/28/990764428.db2.gz YGMVVBXSLRJLMV-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391355626 990775924 /nfs/dbraw/zinc/77/59/24/990775924.db2.gz OQXUOGQMQGIDCN-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001391355626 990775930 /nfs/dbraw/zinc/77/59/30/990775930.db2.gz OQXUOGQMQGIDCN-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]([NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1)C(N)=O ZINC001391774742 991173756 /nfs/dbraw/zinc/17/37/56/991173756.db2.gz VZNFMPLDHHXEFM-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)CC1)N(C)C ZINC001391826697 991205760 /nfs/dbraw/zinc/20/57/60/991205760.db2.gz NPEYIJSRSXCHGE-AJNGGQMLSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001391832252 991210383 /nfs/dbraw/zinc/21/03/83/991210383.db2.gz LWJIQSJMBGQTNE-SHTZXODSSA-N 1 3 322.457 0.635 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001391833104 991211298 /nfs/dbraw/zinc/21/12/98/991211298.db2.gz PRBDNOLMHFWJCB-KKUMJFAQSA-N 1 3 315.458 0.351 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2CN[C@@H](C)C(N)=O)CC1 ZINC001391872307 991243520 /nfs/dbraw/zinc/24/35/20/991243520.db2.gz RDNXCNGTDLGMQS-DZGCQCFKSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cncn1C ZINC001391909488 991285219 /nfs/dbraw/zinc/28/52/19/991285219.db2.gz ACTDJLKXBCYHOE-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001391966081 991338052 /nfs/dbraw/zinc/33/80/52/991338052.db2.gz SWEPHFOPJXPICH-GXTWGEPZSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nccnc1CNC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001391966081 991338060 /nfs/dbraw/zinc/33/80/60/991338060.db2.gz SWEPHFOPJXPICH-GXTWGEPZSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1nc([C@H](C)NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)n[nH]1 ZINC001392125494 991521868 /nfs/dbraw/zinc/52/18/68/991521868.db2.gz UPGLCAMQRUSCGY-RYUDHWBXSA-N 1 3 310.446 0.952 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC001553195566 1015638307 /nfs/dbraw/zinc/63/83/07/1015638307.db2.gz BRAMKKIJGKCTLF-ZNMIVQPWSA-N 1 3 310.442 0.585 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC001553195566 1015638312 /nfs/dbraw/zinc/63/83/12/1015638312.db2.gz BRAMKKIJGKCTLF-ZNMIVQPWSA-N 1 3 310.442 0.585 20 0 DCADHO C[NH+](C)C1CC(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC001553218744 1015643617 /nfs/dbraw/zinc/64/36/17/1015643617.db2.gz DHETWDDLGQLDLY-FJBKBRRZSA-N 1 3 324.469 0.567 20 0 DCADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC(=O)N(C)C ZINC001392197259 991598850 /nfs/dbraw/zinc/59/88/50/991598850.db2.gz OGWMDZOQAJIXSO-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001392253156 991658190 /nfs/dbraw/zinc/65/81/90/991658190.db2.gz WHHUCQHHKBDURR-UKRRQHHQSA-N 1 3 307.442 0.602 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001392253156 991658194 /nfs/dbraw/zinc/65/81/94/991658194.db2.gz WHHUCQHHKBDURR-UKRRQHHQSA-N 1 3 307.442 0.602 20 0 DCADHO CCn1cc(CNC[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001392351032 991792340 /nfs/dbraw/zinc/79/23/40/991792340.db2.gz ZBLUDHCHEBAFIX-UKRRQHHQSA-N 1 3 322.457 0.624 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392427718 991917249 /nfs/dbraw/zinc/91/72/49/991917249.db2.gz VEPSNRNXZUCZGV-GOEBONIOSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392427718 991917255 /nfs/dbraw/zinc/91/72/55/991917255.db2.gz VEPSNRNXZUCZGV-GOEBONIOSA-N 1 3 320.437 0.299 20 0 DCADHO Cc1ccncc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001392429336 991918161 /nfs/dbraw/zinc/91/81/61/991918161.db2.gz QALIDDSTVHPSCM-OAHLLOKOSA-N 1 3 308.426 0.297 20 0 DCADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001392458135 991954418 /nfs/dbraw/zinc/95/44/18/991954418.db2.gz INCGSXWGBLQVBZ-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001392536382 992060394 /nfs/dbraw/zinc/06/03/94/992060394.db2.gz JMSGWFTZRBWTBF-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392647446 992202197 /nfs/dbraw/zinc/20/21/97/992202197.db2.gz RHAVJMLSXFSBLG-RBSFLKMASA-N 1 3 307.442 0.660 20 0 DCADHO C[C@H](CN(C)CCn1cccn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392647446 992202205 /nfs/dbraw/zinc/20/22/05/992202205.db2.gz RHAVJMLSXFSBLG-RBSFLKMASA-N 1 3 307.442 0.660 20 0 DCADHO CCN1CC[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001392788939 992399100 /nfs/dbraw/zinc/39/91/00/992399100.db2.gz NZHMLOJDVRXBDM-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001392959294 992584095 /nfs/dbraw/zinc/58/40/95/992584095.db2.gz FWCZYJZIVGBPDT-GOOCMWNKSA-N 1 3 324.469 0.574 20 0 DCADHO CN1CC[C@H](N2CC[C@@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)C1=O ZINC001392990062 992605463 /nfs/dbraw/zinc/60/54/63/992605463.db2.gz CVAVULCOYJOGQX-WMLDXEAASA-N 1 3 322.453 0.093 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001393051008 992651574 /nfs/dbraw/zinc/65/15/74/992651574.db2.gz GGAOTRIVNJLRHL-DZGCQCFKSA-N 1 3 310.442 0.173 20 0 DCADHO CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001393058930 992657926 /nfs/dbraw/zinc/65/79/26/992657926.db2.gz UOJMIEDZZQCEHJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CC[C@H](NC[C@H]2CCCN2C(=O)CCC[NH+](C)C)C1=O ZINC001393058923 992658095 /nfs/dbraw/zinc/65/80/95/992658095.db2.gz UOJMIEDZZQCEHJ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001393149321 992716812 /nfs/dbraw/zinc/71/68/12/992716812.db2.gz QCAPJVWXQPZTDC-INIZCTEOSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@](CO)(NCc2cccnc2)C1 ZINC001393698048 993185171 /nfs/dbraw/zinc/18/51/71/993185171.db2.gz YMADRVJPNVUZMO-KRWDZBQOSA-N 1 3 320.437 0.476 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001393745783 993220226 /nfs/dbraw/zinc/22/02/26/993220226.db2.gz NAOPVTHZTPWUKC-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001393745783 993220236 /nfs/dbraw/zinc/22/02/36/993220236.db2.gz NAOPVTHZTPWUKC-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](F)C[NH2+]CC1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001393775438 993243066 /nfs/dbraw/zinc/24/30/66/993243066.db2.gz DSYAPQATLOOTEL-CQSZACIVSA-N 1 3 315.433 0.773 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCCC1 ZINC001394524427 993796129 /nfs/dbraw/zinc/79/61/29/993796129.db2.gz WHGNYFPYRVYIED-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001394528431 993798288 /nfs/dbraw/zinc/79/82/88/993798288.db2.gz MCLWPHXEMGKFLT-WFASDCNBSA-N 1 3 324.473 0.672 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001394532029 993805626 /nfs/dbraw/zinc/80/56/26/993805626.db2.gz YCZJDBCHGFATJG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001394532029 993805630 /nfs/dbraw/zinc/80/56/30/993805630.db2.gz YCZJDBCHGFATJG-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001394566709 993837166 /nfs/dbraw/zinc/83/71/66/993837166.db2.gz MPSPKJZHEWTSDY-CHWSQXEVSA-N 1 3 300.447 0.240 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001399938289 993959092 /nfs/dbraw/zinc/95/90/92/993959092.db2.gz DMKHVOOLMTYJRC-UONOGXRCSA-N 1 3 306.410 0.735 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001399938289 993959100 /nfs/dbraw/zinc/95/91/00/993959100.db2.gz DMKHVOOLMTYJRC-UONOGXRCSA-N 1 3 306.410 0.735 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC/C=C\c2ccccc2)C1 ZINC001394653633 993975684 /nfs/dbraw/zinc/97/56/84/993975684.db2.gz BKGYSUWLPOKEDE-BGHPOGFGSA-N 1 3 317.433 0.718 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NC/C=C\c2ccccc2)C1 ZINC001394653633 993975688 /nfs/dbraw/zinc/97/56/88/993975688.db2.gz BKGYSUWLPOKEDE-BGHPOGFGSA-N 1 3 317.433 0.718 20 0 DCADHO CCCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001394674781 994007532 /nfs/dbraw/zinc/00/75/32/994007532.db2.gz VTHYLXQXANQWPN-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001394674785 994007724 /nfs/dbraw/zinc/00/77/24/994007724.db2.gz VTHYLXQXANQWPN-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C2CC2)[C@H]1C ZINC001394677921 994010178 /nfs/dbraw/zinc/01/01/78/994010178.db2.gz NFQWXVAUQQCHMN-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCc1ccnn1C ZINC001394718502 994052428 /nfs/dbraw/zinc/05/24/28/994052428.db2.gz SIOYKVOAFCPLGP-GDBMZVCRSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001400053781 994108374 /nfs/dbraw/zinc/10/83/74/994108374.db2.gz NBLJYCSWPJFQBC-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](NCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001400053781 994108377 /nfs/dbraw/zinc/10/83/77/994108377.db2.gz NBLJYCSWPJFQBC-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1cc(CNC2CC(N(C)C(=O)CC[NH+](C)C)C2)ncn1 ZINC001394858255 994221981 /nfs/dbraw/zinc/22/19/81/994221981.db2.gz JVJXFPLNHBCVDM-UHFFFAOYSA-N 1 3 305.426 0.816 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001394863998 994224112 /nfs/dbraw/zinc/22/41/12/994224112.db2.gz ZSRWYKVZKOPUPH-SSDMNJCBSA-N 1 3 312.458 0.288 20 0 DCADHO CCN(C(=O)COC1CC[NH+](C)CC1)[C@@H]1CCN(CCO)C1 ZINC001400770831 994903223 /nfs/dbraw/zinc/90/32/23/994903223.db2.gz VCNJLVUBMOCUJV-CQSZACIVSA-N 1 3 313.442 0.012 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)NCC(=O)NC ZINC001400824331 994979033 /nfs/dbraw/zinc/97/90/33/994979033.db2.gz IBEFIZWMZFMULB-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@]1(C[NH2+]CC(N)=O)CCCC[C@@H]1C ZINC001401048986 995136487 /nfs/dbraw/zinc/13/64/87/995136487.db2.gz JEQRUDUDQQVOAR-XJKSGUPXSA-N 1 3 312.458 0.467 20 0 DCADHO CN(CC1CC1)C(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001401087158 995164199 /nfs/dbraw/zinc/16/41/99/995164199.db2.gz OUJZBKZZFWWALY-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401113160 995189730 /nfs/dbraw/zinc/18/97/30/995189730.db2.gz DOEDLUDFDKFJRF-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001396747951 995583445 /nfs/dbraw/zinc/58/34/45/995583445.db2.gz LXXBTNVPXUWLOK-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001397662571 996122048 /nfs/dbraw/zinc/12/20/48/996122048.db2.gz FTEKNKZOIZELDQ-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001397675942 996127443 /nfs/dbraw/zinc/12/74/43/996127443.db2.gz MZKHFTZZNITVPQ-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001507149339 1016031847 /nfs/dbraw/zinc/03/18/47/1016031847.db2.gz OYVQWLPWEQUPPT-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]([NH2+][C@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001398433413 996514072 /nfs/dbraw/zinc/51/40/72/996514072.db2.gz BJQPHICYCWCASM-ZIAGYGMSSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC(=O)N2CCC2)C2CC2)C1 ZINC001398457562 996526178 /nfs/dbraw/zinc/52/61/78/996526178.db2.gz RNCLMYTZKQQQRU-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)[C@H](C)N(C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001398468408 996531693 /nfs/dbraw/zinc/53/16/93/996531693.db2.gz FRRQLNNUPUEYKJ-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001398541550 996561550 /nfs/dbraw/zinc/56/15/50/996561550.db2.gz ZEKIEUUUIDDHFK-ZQDZILKHSA-N 1 3 324.469 0.573 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC1CN(C(=O)CN2CCCC2)C1 ZINC001398622566 996609379 /nfs/dbraw/zinc/60/93/79/996609379.db2.gz HNJCRVZKLKTHSH-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1)[NH+](C)C ZINC001398700647 996646645 /nfs/dbraw/zinc/64/66/45/996646645.db2.gz ZXNAELJCWBUBGE-CQSZACIVSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001398764152 996677812 /nfs/dbraw/zinc/67/78/12/996677812.db2.gz QEYGHHBIIXTLLF-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001502754021 1016056145 /nfs/dbraw/zinc/05/61/45/1016056145.db2.gz KFQHOZGTICZLSZ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001502754021 1016056154 /nfs/dbraw/zinc/05/61/54/1016056154.db2.gz KFQHOZGTICZLSZ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](NCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001404328113 996985764 /nfs/dbraw/zinc/98/57/64/996985764.db2.gz UTUINJGJEWPVFT-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@H]2CCCN(C)C2=O)CCC1 ZINC001404331076 996998178 /nfs/dbraw/zinc/99/81/78/996998178.db2.gz XLTZPBANERPBSR-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001399160011 997037928 /nfs/dbraw/zinc/03/79/28/997037928.db2.gz KLECCTKIQCHZKD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCC(=O)N1CCCC1 ZINC001399166157 997043961 /nfs/dbraw/zinc/04/39/61/997043961.db2.gz QEAHZTJKQFRGNA-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001404406053 997077405 /nfs/dbraw/zinc/07/74/05/997077405.db2.gz VVRXQNFIELXDJM-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001404406053 997077415 /nfs/dbraw/zinc/07/74/15/997077415.db2.gz VVRXQNFIELXDJM-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)N1CCCC1 ZINC001399241251 997114402 /nfs/dbraw/zinc/11/44/02/997114402.db2.gz LYNJTGMVROCYBM-OAHLLOKOSA-N 1 3 322.453 0.143 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001399247686 997120077 /nfs/dbraw/zinc/12/00/77/997120077.db2.gz UECBICOJYHPDPA-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001404549089 997231781 /nfs/dbraw/zinc/23/17/81/997231781.db2.gz NSKPIHFYPBVKSV-CABCVRRESA-N 1 3 324.469 0.564 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCn2cncn2)C1 ZINC001404565866 997241912 /nfs/dbraw/zinc/24/19/12/997241912.db2.gz FDZDFGQAVDBVDC-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001404565866 997241917 /nfs/dbraw/zinc/24/19/17/997241917.db2.gz FDZDFGQAVDBVDC-HUUCEWRRSA-N 1 3 320.441 0.153 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCC(O)(CNCCF)CC2)CC1 ZINC001502883698 1016116017 /nfs/dbraw/zinc/11/60/17/1016116017.db2.gz UJUHKRSZRZSIGN-UHFFFAOYSA-N 1 3 301.406 0.241 20 0 DCADHO C[C@H]1[C@H](NC(=O)C2(N(C)C)CCC2)CCN1C(=O)CC[NH+](C)C ZINC001405431959 998222431 /nfs/dbraw/zinc/22/24/31/998222431.db2.gz AMQXKRXNEKNEMJ-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC001467812353 1016201174 /nfs/dbraw/zinc/20/11/74/1016201174.db2.gz PDXFLZIXEFHZLN-ARFHVFGLSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC001467812353 1016201181 /nfs/dbraw/zinc/20/11/81/1016201181.db2.gz PDXFLZIXEFHZLN-ARFHVFGLSA-N 1 3 309.454 0.774 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001405604133 998382092 /nfs/dbraw/zinc/38/20/92/998382092.db2.gz FKVDKRVFTICXMT-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001511203763 1016213008 /nfs/dbraw/zinc/21/30/08/1016213008.db2.gz HTIFFEHCEMLESE-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001511293461 1016248572 /nfs/dbraw/zinc/24/85/72/1016248572.db2.gz WRNRMWADNIXPJV-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001507338154 1016264731 /nfs/dbraw/zinc/26/47/31/1016264731.db2.gz HZPMOVTXNHDJSE-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)on1 ZINC001401133417 1000216580 /nfs/dbraw/zinc/21/65/80/1000216580.db2.gz FSSLXXHTBHJLIY-OLZOCXBDSA-N 1 3 324.425 0.867 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)on1 ZINC001401133417 1000216585 /nfs/dbraw/zinc/21/65/85/1000216585.db2.gz FSSLXXHTBHJLIY-OLZOCXBDSA-N 1 3 324.425 0.867 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001401155532 1000235716 /nfs/dbraw/zinc/23/57/16/1000235716.db2.gz QZZQTYLPSFCQJR-KGLIPLIRSA-N 1 3 322.457 0.448 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001401241104 1000301187 /nfs/dbraw/zinc/30/11/87/1000301187.db2.gz RGKOPKBDIWFBHN-ZDUSSCGKSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CNCC(N)=O ZINC001401307741 1000341880 /nfs/dbraw/zinc/34/18/80/1000341880.db2.gz GUWAMDZILOCCQF-GXTWGEPZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1CNCC(N)=O ZINC001401313487 1000344635 /nfs/dbraw/zinc/34/46/35/1000344635.db2.gz SAVDVUKGFPEDLZ-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001418650477 1000420695 /nfs/dbraw/zinc/42/06/95/1000420695.db2.gz KHGFTGPFQODGOL-ZQDZILKHSA-N 1 3 324.469 0.289 20 0 DCADHO Cn1cc(CNC[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)nn1 ZINC001401499760 1000455479 /nfs/dbraw/zinc/45/54/79/1000455479.db2.gz SJOMDWJKTSKVPQ-JSGCOSHPSA-N 1 3 308.430 0.141 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001418811933 1000540620 /nfs/dbraw/zinc/54/06/20/1000540620.db2.gz RYLOYUNODQEVCW-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001418811933 1000540626 /nfs/dbraw/zinc/54/06/26/1000540626.db2.gz RYLOYUNODQEVCW-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCC[C@@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001418830108 1000556694 /nfs/dbraw/zinc/55/66/94/1000556694.db2.gz OHTUPIDYJKVION-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC001401702135 1000640985 /nfs/dbraw/zinc/64/09/85/1000640985.db2.gz JXYFMLCFFWCXIA-WFASDCNBSA-N 1 3 320.437 0.720 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001401723587 1000660588 /nfs/dbraw/zinc/66/05/88/1000660588.db2.gz ZRIXEGAUEFBJJJ-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001401824144 1000761740 /nfs/dbraw/zinc/76/17/40/1000761740.db2.gz MNNXOTRINHMZIT-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)N1CCCC1 ZINC001402070431 1000990661 /nfs/dbraw/zinc/99/06/61/1000990661.db2.gz DWCNHNXPTOKVCE-OAHLLOKOSA-N 1 3 322.453 0.285 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001419367366 1001002816 /nfs/dbraw/zinc/00/28/16/1001002816.db2.gz RHZNNJLJDCXVTC-SOUVJXGZSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC1)C(N)=O ZINC001419384685 1001012691 /nfs/dbraw/zinc/01/26/91/1001012691.db2.gz LXMLQZNYKSYCNG-XUXIUFHCSA-N 1 3 312.458 0.608 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1)CC(C)(C)C ZINC001419488834 1001091331 /nfs/dbraw/zinc/09/13/31/1001091331.db2.gz DBDVTHPUMBKKNP-BETUJISGSA-N 1 3 322.457 0.530 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)[nH]1 ZINC001419515615 1001109015 /nfs/dbraw/zinc/10/90/15/1001109015.db2.gz IVWRKRRMHBVKNK-NWDGAFQWSA-N 1 3 322.457 0.858 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001419604115 1001167983 /nfs/dbraw/zinc/16/79/83/1001167983.db2.gz BNZLQWSLDJYGJI-CYBMUJFWSA-N 1 3 310.442 0.363 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001419658927 1001203527 /nfs/dbraw/zinc/20/35/27/1001203527.db2.gz YDEQTPKMVMLLJC-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCc1cnnn1C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001419716269 1001243812 /nfs/dbraw/zinc/24/38/12/1001243812.db2.gz HRHCHZYYAQDWNY-QWHCGFSZSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H](CNCc1cnnn1C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001419716269 1001243820 /nfs/dbraw/zinc/24/38/20/1001243820.db2.gz HRHCHZYYAQDWNY-QWHCGFSZSA-N 1 3 308.430 0.093 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)c1n[nH]c(C)n1 ZINC001419737373 1001265397 /nfs/dbraw/zinc/26/53/97/1001265397.db2.gz BXWCXZCUXISWHR-NWDGAFQWSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)c1n[nH]c(C)n1 ZINC001419737373 1001265402 /nfs/dbraw/zinc/26/54/02/1001265402.db2.gz BXWCXZCUXISWHR-NWDGAFQWSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)c1n[nH]c(C)n1 ZINC001419738802 1001265989 /nfs/dbraw/zinc/26/59/89/1001265989.db2.gz BXWCXZCUXISWHR-VXGBXAGGSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)c1n[nH]c(C)n1 ZINC001419738802 1001265994 /nfs/dbraw/zinc/26/59/94/1001265994.db2.gz BXWCXZCUXISWHR-VXGBXAGGSA-N 1 3 310.446 0.952 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)N(C)C1CC1 ZINC001419761741 1001286775 /nfs/dbraw/zinc/28/67/75/1001286775.db2.gz WYWJGUXJQYWFFA-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)N(C)C1CC1 ZINC001419761741 1001286781 /nfs/dbraw/zinc/28/67/81/1001286781.db2.gz WYWJGUXJQYWFFA-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2cn(C)nn2)C1 ZINC001402421898 1001294193 /nfs/dbraw/zinc/29/41/93/1001294193.db2.gz QSZYZHFEAGYPCR-KBPBESRZSA-N 1 3 322.457 0.341 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2cn(C)nn2)C1 ZINC001402421898 1001294199 /nfs/dbraw/zinc/29/41/99/1001294199.db2.gz QSZYZHFEAGYPCR-KBPBESRZSA-N 1 3 322.457 0.341 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1 ZINC001402453179 1001322401 /nfs/dbraw/zinc/32/24/01/1001322401.db2.gz XXGGMXTWBBIGEP-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1 ZINC001402453179 1001322408 /nfs/dbraw/zinc/32/24/08/1001322408.db2.gz XXGGMXTWBBIGEP-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001419835402 1001343695 /nfs/dbraw/zinc/34/36/95/1001343695.db2.gz CIAPLGXJVMWIOF-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](F)CCN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402474863 1001344918 /nfs/dbraw/zinc/34/49/18/1001344918.db2.gz XHVKRCLUXSVPLF-ZFWWWQNUSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC(=O)N1CCC1 ZINC001419837931 1001345393 /nfs/dbraw/zinc/34/53/93/1001345393.db2.gz FYBVUBDVDOCJKH-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nc([C@H](C)N[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001419902909 1001396707 /nfs/dbraw/zinc/39/67/07/1001396707.db2.gz PMENDAHBIXRIEM-MNOVXSKESA-N 1 3 306.414 0.364 20 0 DCADHO CN1CCC[C@@H](N2CCC[C@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001402624873 1001447022 /nfs/dbraw/zinc/44/70/22/1001447022.db2.gz OCIYJUYKWIMBCX-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)C[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001402828614 1001519582 /nfs/dbraw/zinc/51/95/82/1001519582.db2.gz OIPBGKKFAORNQT-HSBZDZAISA-N 1 3 310.442 0.091 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001402882029 1001554466 /nfs/dbraw/zinc/55/44/66/1001554466.db2.gz MOODTTAVFWQTGE-LRDDRELGSA-N 1 3 319.453 0.665 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001403017392 1001633698 /nfs/dbraw/zinc/63/36/98/1001633698.db2.gz ZCZBVZRTGFALFY-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCC(=O)NC(C)(C)C ZINC001403021988 1001636572 /nfs/dbraw/zinc/63/65/72/1001636572.db2.gz CIOPNQAKTHRTPA-QWHCGFSZSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C2CCC2)C1=O ZINC001403047945 1001648727 /nfs/dbraw/zinc/64/87/27/1001648727.db2.gz NSCGXLYXISMBCD-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001403079291 1001663919 /nfs/dbraw/zinc/66/39/19/1001663919.db2.gz JEGBFRWFBHOCJK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001403079291 1001663921 /nfs/dbraw/zinc/66/39/21/1001663921.db2.gz JEGBFRWFBHOCJK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@@H]1CCNC1=O ZINC001403088216 1001668686 /nfs/dbraw/zinc/66/86/86/1001668686.db2.gz RRPYCSGFCOFUSG-IUODEOHRSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCCNC1=O ZINC001403165975 1001702442 /nfs/dbraw/zinc/70/24/42/1001702442.db2.gz NFESJDHURGBBFP-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)CCn1cccn1 ZINC001403165705 1001702490 /nfs/dbraw/zinc/70/24/90/1001702490.db2.gz UGMXDAQOKQPHHA-OAHLLOKOSA-N 1 3 319.453 0.948 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001419976076 1001738206 /nfs/dbraw/zinc/73/82/06/1001738206.db2.gz SWBXHWYKNSLLFK-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CNCc2nccn2C)C1 ZINC001419988794 1001747159 /nfs/dbraw/zinc/74/71/59/1001747159.db2.gz DLZHGXBRHHHEHK-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CNCc2nccn2C)C1 ZINC001419988794 1001747166 /nfs/dbraw/zinc/74/71/66/1001747166.db2.gz DLZHGXBRHHHEHK-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO NC(=O)CNCC1(NC(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC001403262748 1001767539 /nfs/dbraw/zinc/76/75/39/1001767539.db2.gz JXCNLSKAUJALRA-UHFFFAOYSA-N 1 3 324.469 0.756 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001403330168 1001824605 /nfs/dbraw/zinc/82/46/05/1001824605.db2.gz LVSBPZGYXTVOHK-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001420086985 1001830267 /nfs/dbraw/zinc/83/02/67/1001830267.db2.gz PRLITUWLLAAPFN-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001403388480 1001916507 /nfs/dbraw/zinc/91/65/07/1001916507.db2.gz OTQYMRHWFLFLMD-DZUCGIPZSA-N 1 3 323.481 0.926 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001403388480 1001916516 /nfs/dbraw/zinc/91/65/16/1001916516.db2.gz OTQYMRHWFLFLMD-DZUCGIPZSA-N 1 3 323.481 0.926 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001403420406 1001947415 /nfs/dbraw/zinc/94/74/15/1001947415.db2.gz RYGKLMGEURXGNZ-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001420247521 1002112632 /nfs/dbraw/zinc/11/26/32/1002112632.db2.gz VHIFNAAMONZDNR-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)CN(C)C1CCC1 ZINC001420441296 1002422323 /nfs/dbraw/zinc/42/23/23/1002422323.db2.gz ZNBDJCPLWRNINT-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC001425248286 1002477594 /nfs/dbraw/zinc/47/75/94/1002477594.db2.gz DTQOPCXXEICYFN-ZDUSSCGKSA-N 1 3 320.437 0.274 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001420518562 1002542946 /nfs/dbraw/zinc/54/29/46/1002542946.db2.gz QFMMLRHOZCSCER-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001420560034 1002615470 /nfs/dbraw/zinc/61/54/70/1002615470.db2.gz YYBNXDUWXGZILO-OCCSQVGLSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC001420560034 1002615475 /nfs/dbraw/zinc/61/54/75/1002615475.db2.gz YYBNXDUWXGZILO-OCCSQVGLSA-N 1 3 308.426 0.860 20 0 DCADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)CCN1CCCC1=O ZINC001403903442 1002713661 /nfs/dbraw/zinc/71/36/61/1002713661.db2.gz FFDGPRGPQTUENF-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC(C)(C)C ZINC001420727956 1002874028 /nfs/dbraw/zinc/87/40/28/1002874028.db2.gz MRLKTXHJGAZRJL-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCn1cccn1)N(C)C ZINC001425641370 1002921079 /nfs/dbraw/zinc/92/10/79/1002921079.db2.gz SCLRYVOFQOPFBX-LSDHHAIUSA-N 1 3 309.458 0.906 20 0 DCADHO C[C@H](NC[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001420772882 1002934200 /nfs/dbraw/zinc/93/42/00/1002934200.db2.gz RHBGEHSMPGWHED-FZMZJTMJSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405821668 1003110622 /nfs/dbraw/zinc/11/06/22/1003110622.db2.gz FFOCDCVAOXHSRS-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](CO)NCc2ccccc2)CC1 ZINC001425809437 1003134997 /nfs/dbraw/zinc/13/49/97/1003134997.db2.gz QWWSIGVIHGYTNG-MRXNPFEDSA-N 1 3 305.422 0.595 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1 ZINC001420954907 1003172869 /nfs/dbraw/zinc/17/28/69/1003172869.db2.gz QGAYXBAABDHWSB-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCN(C)C2=O)CC1 ZINC001420954907 1003172871 /nfs/dbraw/zinc/17/28/71/1003172871.db2.gz QGAYXBAABDHWSB-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C)C1=O ZINC001405901249 1003186294 /nfs/dbraw/zinc/18/62/94/1003186294.db2.gz DGSYNDIQAVOVPE-UONOGXRCSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001405962328 1003225324 /nfs/dbraw/zinc/22/53/24/1003225324.db2.gz GAUQHJAPAMLWAF-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001425891371 1003230021 /nfs/dbraw/zinc/23/00/21/1003230021.db2.gz XRGTZSASSFECHP-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N(C)C2CC2)CN1C(=O)CCC[NH+](C)C ZINC001425906816 1003246239 /nfs/dbraw/zinc/24/62/39/1003246239.db2.gz PGXGDXOEWPJJAN-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001426085262 1003419349 /nfs/dbraw/zinc/41/93/49/1003419349.db2.gz RSWZNJNHHSRDGL-KGLIPLIRSA-N 1 3 317.474 0.096 20 0 DCADHO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001426085262 1003419358 /nfs/dbraw/zinc/41/93/58/1003419358.db2.gz RSWZNJNHHSRDGL-KGLIPLIRSA-N 1 3 317.474 0.096 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C(C)(C)C)C(N)=O ZINC001426158326 1003474292 /nfs/dbraw/zinc/47/42/92/1003474292.db2.gz ZLFGQQNXDAMJDC-YPMHNXCESA-N 1 3 312.458 0.465 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CC2CC(F)(F)C2)CCC1 ZINC001406253420 1003531620 /nfs/dbraw/zinc/53/16/20/1003531620.db2.gz ZKCLQJJYGJZUAS-LBPRGKRZSA-N 1 3 319.396 0.583 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CCN[C@@H]2CCNC2=O)C1 ZINC001406331452 1003612444 /nfs/dbraw/zinc/61/24/44/1003612444.db2.gz RPVHXLFYZPIBNW-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)CCN[C@@H]2CCNC2=O)C1 ZINC001406331452 1003612449 /nfs/dbraw/zinc/61/24/49/1003612449.db2.gz RPVHXLFYZPIBNW-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1oncc1CN1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421386184 1003613600 /nfs/dbraw/zinc/61/36/00/1003613600.db2.gz INFYSHCAOQFMMA-MRXNPFEDSA-N 1 3 322.409 0.132 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001426334689 1003719948 /nfs/dbraw/zinc/71/99/48/1003719948.db2.gz TXHOODMXODXDQO-UHFFFAOYSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001406488531 1003760161 /nfs/dbraw/zinc/76/01/61/1003760161.db2.gz GIQCQHGPVLEYQT-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001406488531 1003760168 /nfs/dbraw/zinc/76/01/68/1003760168.db2.gz GIQCQHGPVLEYQT-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001428791361 1004176429 /nfs/dbraw/zinc/17/64/29/1004176429.db2.gz HAPFLNOXVKMPSZ-LLVKDONJSA-N 1 3 309.414 0.223 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001427068004 1004193810 /nfs/dbraw/zinc/19/38/10/1004193810.db2.gz MJTLDFSMALVCHH-UONOGXRCSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001407124575 1004405332 /nfs/dbraw/zinc/40/53/32/1004405332.db2.gz VQWMQWHALSOOEE-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CCCC1 ZINC001407136479 1004412691 /nfs/dbraw/zinc/41/26/91/1004412691.db2.gz AIHWOXQPYMPHCV-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)Cc1c[nH]cn1 ZINC001429309276 1004522390 /nfs/dbraw/zinc/52/23/90/1004522390.db2.gz WXUSHSSEIGNJNJ-UHFFFAOYSA-N 1 3 321.425 0.403 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@]2(C)CCC[N@H+](CCCO)C2)C1 ZINC001407300302 1004528854 /nfs/dbraw/zinc/52/88/54/1004528854.db2.gz OGOMRMIKMAKTLY-WBVHZDCISA-N 1 3 311.470 0.929 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@]2(C)CCC[N@@H+](CCCO)C2)C1 ZINC001407300302 1004528858 /nfs/dbraw/zinc/52/88/58/1004528858.db2.gz OGOMRMIKMAKTLY-WBVHZDCISA-N 1 3 311.470 0.929 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407440716 1004655180 /nfs/dbraw/zinc/65/51/80/1004655180.db2.gz VKMGPLMLSFKJHG-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407440716 1004655186 /nfs/dbraw/zinc/65/51/86/1004655186.db2.gz VKMGPLMLSFKJHG-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001407538598 1004719110 /nfs/dbraw/zinc/71/91/10/1004719110.db2.gz PPEVIGDKKGJZJY-UONOGXRCSA-N 1 3 324.469 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001407542811 1004720670 /nfs/dbraw/zinc/72/06/70/1004720670.db2.gz XACCMMGHSBHZRP-APIJFGDWSA-N 1 3 324.469 0.561 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001407542811 1004720673 /nfs/dbraw/zinc/72/06/73/1004720673.db2.gz XACCMMGHSBHZRP-APIJFGDWSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001414637063 1005374348 /nfs/dbraw/zinc/37/43/48/1005374348.db2.gz XXVUQWBIKQGBCT-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)C ZINC001416859893 1005748310 /nfs/dbraw/zinc/74/83/10/1005748310.db2.gz BVGTYIRPKXHUKQ-SNPRPXQTSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCC1CCC1 ZINC001417729409 1005877499 /nfs/dbraw/zinc/87/74/99/1005877499.db2.gz WZFILEOENHMVOZ-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[NH+]1CCN(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001417923366 1005926906 /nfs/dbraw/zinc/92/69/06/1005926906.db2.gz AGOLJQXLYQTCQB-INIZCTEOSA-N 1 3 310.486 0.718 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001417991943 1005949906 /nfs/dbraw/zinc/94/99/06/1005949906.db2.gz XSJPPSAXZBHJLR-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)CN[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001417991943 1005949907 /nfs/dbraw/zinc/94/99/07/1005949907.db2.gz XSJPPSAXZBHJLR-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1cnnn1C)[NH+](C)C ZINC001438706208 1006052623 /nfs/dbraw/zinc/05/26/23/1006052623.db2.gz NUDZQZYAVSRMCK-GXTWGEPZSA-N 1 3 310.446 0.338 20 0 DCADHO C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001438711825 1006059312 /nfs/dbraw/zinc/05/93/12/1006059312.db2.gz IBHFNVDCLWPQAZ-LBPRGKRZSA-N 1 3 306.410 0.284 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001418119123 1006066336 /nfs/dbraw/zinc/06/63/36/1006066336.db2.gz GSKYTUUXYQALKR-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001418164101 1006119952 /nfs/dbraw/zinc/11/99/52/1006119952.db2.gz DUSXREPGYUMGTO-AWEZNQCLSA-N 1 3 322.453 0.318 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001418163341 1006120597 /nfs/dbraw/zinc/12/05/97/1006120597.db2.gz OSEFXWJEIPPTFP-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]21 ZINC001418179928 1006135054 /nfs/dbraw/zinc/13/50/54/1006135054.db2.gz BVPBQYGBTSBYQQ-VQJWOFKYSA-N 1 3 315.433 0.748 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]21 ZINC001418179928 1006135047 /nfs/dbraw/zinc/13/50/47/1006135047.db2.gz BVPBQYGBTSBYQQ-VQJWOFKYSA-N 1 3 315.433 0.748 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001438808867 1006135227 /nfs/dbraw/zinc/13/52/27/1006135227.db2.gz SKAFELNHYPBHRN-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1ccnn1C ZINC001438835122 1006151519 /nfs/dbraw/zinc/15/15/19/1006151519.db2.gz MXMHTAFZLBBRBF-HNNXBMFYSA-N 1 3 319.453 0.746 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001418218432 1006192258 /nfs/dbraw/zinc/19/22/58/1006192258.db2.gz BDLDRLPKCCGWPU-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001418218432 1006192262 /nfs/dbraw/zinc/19/22/62/1006192262.db2.gz BDLDRLPKCCGWPU-ZIAGYGMSSA-N 1 3 312.458 0.480 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418268945 1006278106 /nfs/dbraw/zinc/27/81/06/1006278106.db2.gz JPZKSAXHSYCMLB-IUODEOHRSA-N 1 3 309.458 0.909 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001418330886 1006390794 /nfs/dbraw/zinc/39/07/94/1006390794.db2.gz VPIIYPRXGRUEGB-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@H]1CCCNC1=O ZINC001439071791 1006433183 /nfs/dbraw/zinc/43/31/83/1006433183.db2.gz NGYXDNJUDHXPJF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCN[C@H]1CCCNC1=O ZINC001439071791 1006433189 /nfs/dbraw/zinc/43/31/89/1006433189.db2.gz NGYXDNJUDHXPJF-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001436916519 1006455330 /nfs/dbraw/zinc/45/53/30/1006455330.db2.gz SLZCWNHXPGFYPK-IHRRRGAJSA-N 1 3 315.458 0.208 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439108371 1006477746 /nfs/dbraw/zinc/47/77/46/1006477746.db2.gz CFSPWYOZVSJBEO-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1ccnn1C ZINC001437129252 1006624652 /nfs/dbraw/zinc/62/46/52/1006624652.db2.gz GMDUHEUUTVTKIU-ZBFHGGJFSA-N 1 3 321.469 0.930 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC001439256927 1006630369 /nfs/dbraw/zinc/63/03/69/1006630369.db2.gz XHGSTGDJUXGDNL-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CC[C@H](NC[C@H](C)NC(=O)CCC[NH+](C)C)C1=O ZINC001439258282 1006632464 /nfs/dbraw/zinc/63/24/64/1006632464.db2.gz NGBIDNPMWLITMJ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001439283727 1006656726 /nfs/dbraw/zinc/65/67/26/1006656726.db2.gz FPFLYJAUPPFERD-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001437309317 1006825933 /nfs/dbraw/zinc/82/59/33/1006825933.db2.gz AYSLDZKSOOFMBJ-ZDUSSCGKSA-N 1 3 308.430 0.095 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001437335314 1006853410 /nfs/dbraw/zinc/85/34/10/1006853410.db2.gz XSQOEYWOBFAKSI-KGLIPLIRSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)NCCN1CCC([NH2+]CCF)CC1)N(C)C ZINC001440157878 1007528432 /nfs/dbraw/zinc/52/84/32/1007528432.db2.gz LTNQOTXLPJDLAW-CQSZACIVSA-N 1 3 302.438 0.466 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001440321320 1007669644 /nfs/dbraw/zinc/66/96/44/1007669644.db2.gz KDQIHXOLXMNOSX-UHFFFAOYSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)N(C)CC)CCC1)N(C)C ZINC001440355010 1007691159 /nfs/dbraw/zinc/69/11/59/1007691159.db2.gz HWLBYHURLCENQL-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)[C@H]2CCCNC2=O)C1 ZINC001440464114 1007796419 /nfs/dbraw/zinc/79/64/19/1007796419.db2.gz JSVDQELIGZOULD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)[C@H]2CCCNC2=O)C1 ZINC001440464114 1007796428 /nfs/dbraw/zinc/79/64/28/1007796428.db2.gz JSVDQELIGZOULD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H](C)C(=O)NC ZINC001438317613 1007817449 /nfs/dbraw/zinc/81/74/49/1007817449.db2.gz KLNQAMSTXWCCGK-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCN(C)C1=O ZINC001438322998 1007819500 /nfs/dbraw/zinc/81/95/00/1007819500.db2.gz KEBKGNNIFYEBGQ-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCCC1 ZINC001438399236 1007884022 /nfs/dbraw/zinc/88/40/22/1007884022.db2.gz VOVDKSBBHNSONA-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001438438362 1007908232 /nfs/dbraw/zinc/90/82/32/1007908232.db2.gz ZMLJHRGGQLNONK-RBSFLKMASA-N 1 3 324.469 0.622 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC1CC1)N(C)C ZINC001438459383 1007921253 /nfs/dbraw/zinc/92/12/53/1007921253.db2.gz XKXKVRFTIXSEKV-BPLDGKMQSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC(=O)NC)CCCC2)CC[N@@H+]1C ZINC001438596328 1008018898 /nfs/dbraw/zinc/01/88/98/1008018898.db2.gz NVWZCSSFFBCMNJ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC(=O)NC)CCCC2)CC[N@H+]1C ZINC001438596328 1008018903 /nfs/dbraw/zinc/01/89/03/1008018903.db2.gz NVWZCSSFFBCMNJ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001441349571 1008329303 /nfs/dbraw/zinc/32/93/03/1008329303.db2.gz YNVQETVZLBFYDV-RDBSUJKOSA-N 1 3 312.458 0.432 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN(CCn2cncn2)C1 ZINC001441576860 1008409609 /nfs/dbraw/zinc/40/96/09/1008409609.db2.gz WCIWBTXEKJTQSE-OAHLLOKOSA-N 1 3 322.457 0.448 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCc1n[nH]c(C)n1 ZINC001421405755 1008535836 /nfs/dbraw/zinc/53/58/36/1008535836.db2.gz QCZLOAQSELXOLF-HZSPNIEDSA-N 1 3 322.457 0.828 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCc1n[nH]c(C)n1 ZINC001421405755 1008535841 /nfs/dbraw/zinc/53/58/41/1008535841.db2.gz QCZLOAQSELXOLF-HZSPNIEDSA-N 1 3 322.457 0.828 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)N[C@H](C)C(N)=O ZINC001441880788 1008618230 /nfs/dbraw/zinc/61/82/30/1008618230.db2.gz SNNQASPCFGKRQU-VXGBXAGGSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)N[C@H](C)C(N)=O ZINC001441880788 1008618234 /nfs/dbraw/zinc/61/82/34/1008618234.db2.gz SNNQASPCFGKRQU-VXGBXAGGSA-N 1 3 312.458 0.608 20 0 DCADHO CC[C@H](C(=O)N(C)C1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001453678974 1008659360 /nfs/dbraw/zinc/65/93/60/1008659360.db2.gz UDHKSAVJGOHFDZ-CQSZACIVSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC[N@@H+]1C ZINC001421538414 1008701084 /nfs/dbraw/zinc/70/10/84/1008701084.db2.gz BIWNUMBGECNNTR-WOSRLPQWSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC[N@H+]1C ZINC001421538414 1008701091 /nfs/dbraw/zinc/70/10/91/1008701091.db2.gz BIWNUMBGECNNTR-WOSRLPQWSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@H]([NH2+]CCC1CCN(C(=O)[C@H]2CCCN2C)CC1)C(N)=O ZINC001421598879 1008773254 /nfs/dbraw/zinc/77/32/54/1008773254.db2.gz XLOURUMANJJKCB-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001442009848 1008798928 /nfs/dbraw/zinc/79/89/28/1008798928.db2.gz NJKNOVPKSRQIMI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001442009848 1008798942 /nfs/dbraw/zinc/79/89/42/1008798942.db2.gz NJKNOVPKSRQIMI-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CO[C@@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442057023 1008899613 /nfs/dbraw/zinc/89/96/13/1008899613.db2.gz WHRITENMHXUUAL-UONOGXRCSA-N 1 3 315.458 0.257 20 0 DCADHO CO[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442057023 1008899623 /nfs/dbraw/zinc/89/96/23/1008899623.db2.gz WHRITENMHXUUAL-UONOGXRCSA-N 1 3 315.458 0.257 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H](O)C[N@H+](C)CCO)c1 ZINC001442089828 1008957446 /nfs/dbraw/zinc/95/74/46/1008957446.db2.gz JJNFWAOQFOPACU-MRXNPFEDSA-N 1 3 323.437 0.105 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)c1 ZINC001442089828 1008957454 /nfs/dbraw/zinc/95/74/54/1008957454.db2.gz JJNFWAOQFOPACU-MRXNPFEDSA-N 1 3 323.437 0.105 20 0 DCADHO C[C@@H](O)CN1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001421699739 1008957682 /nfs/dbraw/zinc/95/76/82/1008957682.db2.gz VLUWMLFMJXURIR-CQSZACIVSA-N 1 3 319.449 0.993 20 0 DCADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001454241999 1009018216 /nfs/dbraw/zinc/01/82/16/1009018216.db2.gz OSIDBEAPMHYPNE-ZNMIVQPWSA-N 1 3 322.453 0.234 20 0 DCADHO CN(CC(=O)N(C)C1CC([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001442252008 1009135793 /nfs/dbraw/zinc/13/57/93/1009135793.db2.gz KNRZPELJCUHNIO-RUXDESIVSA-N 1 3 324.469 0.432 20 0 DCADHO CN(CCC[N@H+](C)CCc1ccnn1C)C(=O)[C@@H]1CCCN1C ZINC001421845153 1009160692 /nfs/dbraw/zinc/16/06/92/1009160692.db2.gz ZVUQCZBZLDBXTB-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CCC[N@@H+](C)CCc1ccnn1C)C(=O)[C@@H]1CCCN1C ZINC001421845153 1009160702 /nfs/dbraw/zinc/16/07/02/1009160702.db2.gz ZVUQCZBZLDBXTB-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001433783898 1009175888 /nfs/dbraw/zinc/17/58/88/1009175888.db2.gz XBSGNYHDNOKBNU-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001421875398 1009195464 /nfs/dbraw/zinc/19/54/64/1009195464.db2.gz SYOKQMAKEMBSML-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001421902949 1009238311 /nfs/dbraw/zinc/23/83/11/1009238311.db2.gz HCRWRDVNKGYEAH-ZIAGYGMSSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001421909432 1009249862 /nfs/dbraw/zinc/24/98/62/1009249862.db2.gz WAXGPPSEUFBEON-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001421939708 1009290936 /nfs/dbraw/zinc/29/09/36/1009290936.db2.gz TYPZCMLCWFYRMZ-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422011370 1009400325 /nfs/dbraw/zinc/40/03/25/1009400325.db2.gz QWLODMFLWXHEOA-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CCN1CCn1cncn1 ZINC001422118407 1009508512 /nfs/dbraw/zinc/50/85/12/1009508512.db2.gz CRJFNWBSUGSLMD-ZIAGYGMSSA-N 1 3 308.430 0.199 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001422216107 1009662862 /nfs/dbraw/zinc/66/28/62/1009662862.db2.gz PWOIZBXBMKFVKE-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001442812439 1009767890 /nfs/dbraw/zinc/76/78/90/1009767890.db2.gz FENLANKMQKFZDZ-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@@H](C)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001455687593 1009909014 /nfs/dbraw/zinc/90/90/14/1009909014.db2.gz PJFIXKNYDJSGTD-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CCNC(=O)CN1CC[C@@H](C)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001455687593 1009909022 /nfs/dbraw/zinc/90/90/22/1009909022.db2.gz PJFIXKNYDJSGTD-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)CC)CC[N@@H+]1C ZINC001422487327 1010166613 /nfs/dbraw/zinc/16/66/13/1010166613.db2.gz HVPIWECITVCPJI-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)N(C)CC)CC[N@H+]1C ZINC001422487327 1010166615 /nfs/dbraw/zinc/16/66/15/1010166615.db2.gz HVPIWECITVCPJI-HZSPNIEDSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001422516085 1010223419 /nfs/dbraw/zinc/22/34/19/1010223419.db2.gz JNJHUIIHFGFUMK-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001422516085 1010223423 /nfs/dbraw/zinc/22/34/23/1010223423.db2.gz JNJHUIIHFGFUMK-HOCLYGCPSA-N 1 3 323.485 0.985 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001443279327 1010290790 /nfs/dbraw/zinc/29/07/90/1010290790.db2.gz UQULVHZYSOXWJB-GFCCVEGCSA-N 1 3 321.425 0.257 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001443287390 1010296408 /nfs/dbraw/zinc/29/64/08/1010296408.db2.gz ORDGLHDWQWWTFI-ZDUSSCGKSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H]1CCc2ncnn21)NC(=O)C1(N(C)C)CCC1 ZINC001422659905 1010465815 /nfs/dbraw/zinc/46/58/15/1010465815.db2.gz JKOOWELVIZGUDD-STQMWFEESA-N 1 3 320.441 0.344 20 0 DCADHO CC(C)[C@@H](CCN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(N)=O ZINC001506477439 1017307439 /nfs/dbraw/zinc/30/74/39/1017307439.db2.gz BYAPWGYTOMJZDM-UONOGXRCSA-N 1 3 312.458 0.276 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC001422906905 1010725227 /nfs/dbraw/zinc/72/52/27/1010725227.db2.gz TZTDUWNSGGALMO-CTYIDZIISA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC001422906905 1010725237 /nfs/dbraw/zinc/72/52/37/1010725237.db2.gz TZTDUWNSGGALMO-CTYIDZIISA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC001423145817 1010924615 /nfs/dbraw/zinc/92/46/15/1010924615.db2.gz JMRBXDMHDAMSMR-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC001423145817 1010924619 /nfs/dbraw/zinc/92/46/19/1010924619.db2.gz JMRBXDMHDAMSMR-OLZOCXBDSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001444662939 1011122158 /nfs/dbraw/zinc/12/21/58/1011122158.db2.gz HZFQUXFSDMUWDO-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001444662939 1011122162 /nfs/dbraw/zinc/12/21/62/1011122162.db2.gz HZFQUXFSDMUWDO-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001444695797 1011135357 /nfs/dbraw/zinc/13/53/57/1011135357.db2.gz ODSVNUPINIMVAT-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001423418191 1011136036 /nfs/dbraw/zinc/13/60/36/1011136036.db2.gz LPQVORUUKDJTQA-ZIAGYGMSSA-N 1 3 322.457 0.530 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNCc1cnnn1C ZINC001444726555 1011149027 /nfs/dbraw/zinc/14/90/27/1011149027.db2.gz XAFWFOOKZMLGBD-DZGCQCFKSA-N 1 3 322.457 0.626 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNCc1cnnn1C ZINC001444726555 1011149029 /nfs/dbraw/zinc/14/90/29/1011149029.db2.gz XAFWFOOKZMLGBD-DZGCQCFKSA-N 1 3 322.457 0.626 20 0 DCADHO CN(C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C)C1CC1 ZINC001423463409 1011165625 /nfs/dbraw/zinc/16/56/25/1011165625.db2.gz ADOXPCUOAOABSH-LSDHHAIUSA-N 1 3 322.453 0.282 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1cnnn1C ZINC001444882350 1011197153 /nfs/dbraw/zinc/19/71/53/1011197153.db2.gz CEJXRPBPCZLFCB-CABCVRRESA-N 1 3 324.473 0.632 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001423526123 1011214870 /nfs/dbraw/zinc/21/48/70/1011214870.db2.gz CKHWOZDSEUJLMZ-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001431536187 1011375767 /nfs/dbraw/zinc/37/57/67/1011375767.db2.gz HFMHAQXQXSBVRK-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001431536187 1011375780 /nfs/dbraw/zinc/37/57/80/1011375780.db2.gz HFMHAQXQXSBVRK-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCCNC2=O)C1 ZINC001423657407 1011393843 /nfs/dbraw/zinc/39/38/43/1011393843.db2.gz SVMPJHUMSLDUTJ-YOEHRIQHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCc1nncn1C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001423933083 1011745150 /nfs/dbraw/zinc/74/51/50/1011745150.db2.gz BPGFJPNGNXJMNY-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@H](CN[C@H]1CCN(C(C)(C)C)C1=O)NC(=O)CC[NH+](C)C ZINC001445427987 1011757204 /nfs/dbraw/zinc/75/72/04/1011757204.db2.gz SGPNLQWSKBZYBE-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001553443179 1011977843 /nfs/dbraw/zinc/97/78/43/1011977843.db2.gz GGCNXNRCUJADSN-ZJIFWQFVSA-N 1 3 322.453 0.491 20 0 DCADHO CCc1nc([C@@H](C)NC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001445643418 1012047614 /nfs/dbraw/zinc/04/76/14/1012047614.db2.gz ARERZDTTXIWOSD-NWDGAFQWSA-N 1 3 320.441 0.618 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553514216 1012059835 /nfs/dbraw/zinc/05/98/35/1012059835.db2.gz IJQMBTHHMNPUER-QPSCCSFWSA-N 1 3 310.442 0.225 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)N1CC[C@H]3[C@@H]1CCCN3CCO)C2 ZINC001553550400 1012098725 /nfs/dbraw/zinc/09/87/25/1012098725.db2.gz BVBOSAURRPPINI-QCUWXOPDSA-N 1 3 322.453 0.497 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001458193898 1012103469 /nfs/dbraw/zinc/10/34/69/1012103469.db2.gz LZWSTSKWTRTHAI-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001458193898 1012103471 /nfs/dbraw/zinc/10/34/71/1012103471.db2.gz LZWSTSKWTRTHAI-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C(=O)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001424210125 1012172580 /nfs/dbraw/zinc/17/25/80/1012172580.db2.gz HMCIQJREYFFEIQ-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](CNCc1cnnn1C)C1CC1)[NH+](C)C ZINC001445947434 1012458455 /nfs/dbraw/zinc/45/84/55/1012458455.db2.gz DOKTYBALDKQKGD-GJZGRUSLSA-N 1 3 322.457 0.386 20 0 DCADHO C[C@H](F)CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001424420117 1012488271 /nfs/dbraw/zinc/48/82/71/1012488271.db2.gz ZJSXQDZDQRSGHS-SWLSCSKDSA-N 1 3 312.389 0.643 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)[C@@H](C)C1 ZINC001424472092 1012543682 /nfs/dbraw/zinc/54/36/82/1012543682.db2.gz OZFRDKACENJGGS-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001459271841 1012661437 /nfs/dbraw/zinc/66/14/37/1012661437.db2.gz XFZGHEFYGUXJQB-UHFFFAOYSA-N 1 3 322.453 0.093 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)C1 ZINC001548643345 1012870367 /nfs/dbraw/zinc/87/03/67/1012870367.db2.gz SQQQKSMUENCMTH-XUWVNRHRSA-N 1 3 309.454 0.944 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)C1 ZINC001548643345 1012870389 /nfs/dbraw/zinc/87/03/89/1012870389.db2.gz SQQQKSMUENCMTH-XUWVNRHRSA-N 1 3 309.454 0.944 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001506296647 1017188795 /nfs/dbraw/zinc/18/87/95/1017188795.db2.gz DWUVHZNTUMVWLE-ZDUSSCGKSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001506296647 1017188800 /nfs/dbraw/zinc/18/88/00/1017188800.db2.gz DWUVHZNTUMVWLE-ZDUSSCGKSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(CCc2ccnn2C)C1 ZINC001506650337 1017438597 /nfs/dbraw/zinc/43/85/97/1017438597.db2.gz MWZWTTGKFNCOJL-ZDUSSCGKSA-N 1 3 307.442 0.351 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001506886823 1017642480 /nfs/dbraw/zinc/64/24/80/1017642480.db2.gz QWEOFUDKAXDODJ-HDJSIYSDSA-N 1 3 324.469 0.480 20 0 DCADHO COCCOCC[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001506963913 1017709912 /nfs/dbraw/zinc/70/99/12/1017709912.db2.gz BQQLXTJUOAUNMH-UHFFFAOYSA-N 1 3 324.425 0.538 20 0 DCADHO COCCOCC[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001506963913 1017709919 /nfs/dbraw/zinc/70/99/19/1017709919.db2.gz BQQLXTJUOAUNMH-UHFFFAOYSA-N 1 3 324.425 0.538 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001479770918 1017727143 /nfs/dbraw/zinc/72/71/43/1017727143.db2.gz ALAILSKMKRXPTO-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001479770918 1017727152 /nfs/dbraw/zinc/72/71/52/1017727152.db2.gz ALAILSKMKRXPTO-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)CCN1CCCC1=O ZINC001479838658 1017855770 /nfs/dbraw/zinc/85/57/70/1017855770.db2.gz DEOWPJQAKVKMPC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)CCN1CCCC1=O ZINC001479838658 1017855790 /nfs/dbraw/zinc/85/57/90/1017855790.db2.gz DEOWPJQAKVKMPC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@H+](CCCNC(=O)CN1CCCC1)[C@H](C)C(=O)N(C)C ZINC001479861068 1017905160 /nfs/dbraw/zinc/90/51/60/1017905160.db2.gz FFHYEYRMXYFKLD-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN1CCCC1)[C@H](C)C(=O)N(C)C ZINC001479861068 1017905171 /nfs/dbraw/zinc/90/51/71/1017905171.db2.gz FFHYEYRMXYFKLD-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCOCCO)CCN1C(=O)CN1CCCC1 ZINC001499857056 1018105773 /nfs/dbraw/zinc/10/57/73/1018105773.db2.gz HSWYQNNIKRZZOP-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CC[NH2+]CCc1cnn(CC)c1)C(=O)[C@H]1CCCN1C ZINC001497433680 1018135251 /nfs/dbraw/zinc/13/52/51/1018135251.db2.gz BGOQTTJIFFBJNB-MRXNPFEDSA-N 1 3 321.469 0.978 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001499922982 1018136072 /nfs/dbraw/zinc/13/60/72/1018136072.db2.gz QSACZOKDVRDEOG-OCCSQVGLSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC(C)C ZINC001499938822 1018144941 /nfs/dbraw/zinc/14/49/41/1018144941.db2.gz GEZVNWSPKNIDFA-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC(=O)NC(C)C ZINC001499938822 1018144947 /nfs/dbraw/zinc/14/49/47/1018144947.db2.gz GEZVNWSPKNIDFA-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480139051 1018246920 /nfs/dbraw/zinc/24/69/20/1018246920.db2.gz QPJUQJKCJZWDML-HDJSIYSDSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001480204616 1018312451 /nfs/dbraw/zinc/31/24/51/1018312451.db2.gz ORDWDLPNJFQVPH-MCIONIFRSA-N 1 3 324.469 0.622 20 0 DCADHO COC[C@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001495386581 1018486153 /nfs/dbraw/zinc/48/61/53/1018486153.db2.gz KAKARZRUZBMIEE-UKRRQHHQSA-N 1 3 324.425 0.178 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001497899922 1018505815 /nfs/dbraw/zinc/50/58/15/1018505815.db2.gz OMHFBMRIGYRQGK-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001498050833 1018614828 /nfs/dbraw/zinc/61/48/28/1018614828.db2.gz MJFHZWDIAKOZKT-ZDUSSCGKSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498087698 1018642826 /nfs/dbraw/zinc/64/28/26/1018642826.db2.gz TUGUJODYXSGSIU-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](F)CN[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001480564601 1018661912 /nfs/dbraw/zinc/66/19/12/1018661912.db2.gz ZFNNNEXSWLKDAU-STQMWFEESA-N 1 3 303.422 0.940 20 0 DCADHO CC[C@@H]([NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001480596225 1018693226 /nfs/dbraw/zinc/69/32/26/1018693226.db2.gz JJQIVXBHINQUBY-SWLSCSKDSA-N 1 3 320.437 0.720 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001498172205 1018714707 /nfs/dbraw/zinc/71/47/07/1018714707.db2.gz KUTYGVOXSPQJKN-JQWIXIFHSA-N 1 3 317.397 0.134 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001480682916 1018776534 /nfs/dbraw/zinc/77/65/34/1018776534.db2.gz ITBNGFSANOTXEH-AWEZNQCLSA-N 1 3 308.430 0.056 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496063069 1019026779 /nfs/dbraw/zinc/02/67/79/1019026779.db2.gz YHNGATCPXBZGQM-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001496084364 1019051336 /nfs/dbraw/zinc/05/13/36/1019051336.db2.gz ZIJIJRNIJIBCOE-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001493058656 1019055313 /nfs/dbraw/zinc/05/53/13/1019055313.db2.gz NVGCDLDCOFAQDO-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCO[C@@H]1CC1(F)F ZINC001493058656 1019055327 /nfs/dbraw/zinc/05/53/27/1019055327.db2.gz NVGCDLDCOFAQDO-QWHCGFSZSA-N 1 3 319.396 0.800 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498424021 1019106875 /nfs/dbraw/zinc/10/68/75/1019106875.db2.gz AFNIVRMXLPGVSI-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CN(C)CCn1cccn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001498424021 1019106879 /nfs/dbraw/zinc/10/68/79/1019106879.db2.gz AFNIVRMXLPGVSI-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001498612112 1019269062 /nfs/dbraw/zinc/26/90/62/1019269062.db2.gz HAPATMXRGMEQPG-CYBMUJFWSA-N 1 3 314.474 0.537 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001501544086 1019284823 /nfs/dbraw/zinc/28/48/23/1019284823.db2.gz DZTRBLXRLWLKOY-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001501647056 1019349416 /nfs/dbraw/zinc/34/94/16/1019349416.db2.gz AWDDESYRUIVRDQ-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCC(N)=O ZINC001496631333 1019469998 /nfs/dbraw/zinc/46/99/98/1019469998.db2.gz RUSYWZBDNCAAPG-HNNXBMFYSA-N 1 3 324.469 0.324 20 0 DCADHO CCN(CCNC(=O)CC[N@H+](C)CC)C(=O)[C@@H]1CCCN1C ZINC001496973270 1019862848 /nfs/dbraw/zinc/86/28/48/1019862848.db2.gz JBZRCDRPXURWFT-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCNC(=O)CC[N@@H+](C)CC)C(=O)[C@@H]1CCCN1C ZINC001496973270 1019862867 /nfs/dbraw/zinc/86/28/67/1019862867.db2.gz JBZRCDRPXURWFT-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC[C@@H]2CCN([C@H]3CCNC3=O)C2)CC1 ZINC001494042897 1019944121 /nfs/dbraw/zinc/94/41/21/1019944121.db2.gz MXYLZLYRJSBDEJ-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494045344 1019947737 /nfs/dbraw/zinc/94/77/37/1019947737.db2.gz ZOYZJQAAHBKDQU-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494221869 1020083008 /nfs/dbraw/zinc/08/30/08/1020083008.db2.gz OWUGDYWJBFPBPP-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494221869 1020083019 /nfs/dbraw/zinc/08/30/19/1020083019.db2.gz OWUGDYWJBFPBPP-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CO[C@H](C)CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762597 546397070 /nfs/dbraw/zinc/39/70/70/546397070.db2.gz JQPFSUSOZNWCJQ-UONOGXRCSA-N 1 3 302.463 0.935 20 0 DCADHO CO[C@H](C)CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762597 546397074 /nfs/dbraw/zinc/39/70/74/546397074.db2.gz JQPFSUSOZNWCJQ-UONOGXRCSA-N 1 3 302.463 0.935 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000332585260 529404744 /nfs/dbraw/zinc/40/47/44/529404744.db2.gz DHWAUDQOFSUDEI-RBSFLKMASA-N 1 3 322.453 0.282 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000343305374 282257031 /nfs/dbraw/zinc/25/70/31/282257031.db2.gz XGHMHHRNMUATFA-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)NCCCN3CC[NH2+]CC3)[C@H]2C1 ZINC000331371164 529796563 /nfs/dbraw/zinc/79/65/63/529796563.db2.gz DQKDGYZMNZOCHO-CABCVRRESA-N 1 3 309.458 0.017 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423707779 535049820 /nfs/dbraw/zinc/04/98/20/535049820.db2.gz FNJOWNLXXQGLMU-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000182167233 199396503 /nfs/dbraw/zinc/39/65/03/199396503.db2.gz XDHZITFJINEIRB-HNNXBMFYSA-N 1 3 317.437 0.544 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CN1C1CC1 ZINC000346198412 291068463 /nfs/dbraw/zinc/06/84/63/291068463.db2.gz YVZNHHBMXPCJEF-QWHCGFSZSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000346198412 291068464 /nfs/dbraw/zinc/06/84/64/291068464.db2.gz YVZNHHBMXPCJEF-QWHCGFSZSA-N 1 3 322.453 0.280 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000419764792 283165807 /nfs/dbraw/zinc/16/58/07/283165807.db2.gz PRBZXEWKJRFXMV-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000419764792 283165809 /nfs/dbraw/zinc/16/58/09/283165809.db2.gz PRBZXEWKJRFXMV-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](O)Cn1cccn1 ZINC000344143741 283260156 /nfs/dbraw/zinc/26/01/56/283260156.db2.gz NOBUQOOYBYUPAZ-QGZVFWFLSA-N 1 3 323.485 0.594 20 0 DCADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](O)Cn1cccn1 ZINC000344143741 283260157 /nfs/dbraw/zinc/26/01/57/283260157.db2.gz NOBUQOOYBYUPAZ-QGZVFWFLSA-N 1 3 323.485 0.594 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178758886 237238436 /nfs/dbraw/zinc/23/84/36/237238436.db2.gz OUAPFOMNDJZCNY-HOTGVXAUSA-N 1 3 305.422 0.956 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001646200118 1172284940 /nfs/dbraw/zinc/28/49/40/1172284940.db2.gz UMLXJUPLDCNJMZ-CABCVRRESA-N 1 3 311.474 0.535 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566196368 291280676 /nfs/dbraw/zinc/28/06/76/291280676.db2.gz IURFXSPRTDAGID-OAHLLOKOSA-N 1 3 305.426 0.974 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000566511895 291310615 /nfs/dbraw/zinc/31/06/15/291310615.db2.gz CSJKQVMZSZHMCD-GXTWGEPZSA-N 1 3 310.442 0.077 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN(C)C1CC([NH3+])C1)c1ccccc1 ZINC000420328582 240022279 /nfs/dbraw/zinc/02/22/79/240022279.db2.gz HQWCVGHTVAMOTP-GPANFISMSA-N 1 3 304.438 0.827 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000420030055 240011608 /nfs/dbraw/zinc/01/16/08/240011608.db2.gz OXPLYMXODSSPBR-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000567416360 291354667 /nfs/dbraw/zinc/35/46/67/291354667.db2.gz QYAORGLRXKTLFL-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000567416360 291354668 /nfs/dbraw/zinc/35/46/68/291354668.db2.gz QYAORGLRXKTLFL-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000567562186 291361167 /nfs/dbraw/zinc/36/11/67/291361167.db2.gz FLZOHAMIPLXYND-LSDHHAIUSA-N 1 3 307.442 0.475 20 0 DCADHO O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000457608134 241019639 /nfs/dbraw/zinc/01/96/39/241019639.db2.gz WOZYURVUEQBDSJ-OAHLLOKOSA-N 1 3 324.469 0.759 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000567573777 291361729 /nfs/dbraw/zinc/36/17/29/291361729.db2.gz DSTWMBGWICNGNC-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)[C@@H]2C1 ZINC000567814645 291379434 /nfs/dbraw/zinc/37/94/34/291379434.db2.gz WMNRAXICVAGVMH-VNHYZAJKSA-N 1 3 318.425 0.196 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000567821555 291380741 /nfs/dbraw/zinc/38/07/41/291380741.db2.gz CKMFMBPPMUPSIC-KGLIPLIRSA-N 1 3 313.490 0.828 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567846792 291384377 /nfs/dbraw/zinc/38/43/77/291384377.db2.gz QZDYRXBMVNWDPG-CVEARBPZSA-N 1 3 317.433 0.770 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000574648054 291708258 /nfs/dbraw/zinc/70/82/58/291708258.db2.gz DVNNPXDDPAOVGI-CQSZACIVSA-N 1 3 305.426 0.755 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000105143998 194078904 /nfs/dbraw/zinc/07/89/04/194078904.db2.gz FJTSRNFYQOAXPH-CQSZACIVSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000105143998 194078906 /nfs/dbraw/zinc/07/89/06/194078906.db2.gz FJTSRNFYQOAXPH-CQSZACIVSA-N 1 3 312.458 0.690 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000376720912 285037629 /nfs/dbraw/zinc/03/76/29/285037629.db2.gz OILLYBFFZKTBRR-HOCLYGCPSA-N 1 3 313.442 0.230 20 0 DCADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)CCN(C)C)C(C)C ZINC000339614897 253113964 /nfs/dbraw/zinc/11/39/64/253113964.db2.gz SWQGFDUYZOWLHM-UHFFFAOYSA-N 1 3 300.447 0.241 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339639277 253120681 /nfs/dbraw/zinc/12/06/81/253120681.db2.gz SVHVUDVOXIQRNR-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339667625 253123114 /nfs/dbraw/zinc/12/31/14/253123114.db2.gz UYFGFUJJEAOHJR-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339667625 253123115 /nfs/dbraw/zinc/12/31/15/253123115.db2.gz UYFGFUJJEAOHJR-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000339667974 253123172 /nfs/dbraw/zinc/12/31/72/253123172.db2.gz MGTBXZMOERYBME-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000339671602 253124089 /nfs/dbraw/zinc/12/40/89/253124089.db2.gz UTEIZXXUUXUAJU-WFASDCNBSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000339670145 253124132 /nfs/dbraw/zinc/12/41/32/253124132.db2.gz LTEJXBKYBTWWEP-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000339670145 253124133 /nfs/dbraw/zinc/12/41/33/253124133.db2.gz LTEJXBKYBTWWEP-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000340252145 253224779 /nfs/dbraw/zinc/22/47/79/253224779.db2.gz GKBSOTPRFFHUQM-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000340252145 253224782 /nfs/dbraw/zinc/22/47/82/253224782.db2.gz GKBSOTPRFFHUQM-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340485069 253264333 /nfs/dbraw/zinc/26/43/33/253264333.db2.gz QNKDISXTRAMEIH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340485069 253264334 /nfs/dbraw/zinc/26/43/34/253264334.db2.gz QNKDISXTRAMEIH-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000340790360 253304565 /nfs/dbraw/zinc/30/45/65/253304565.db2.gz DCNJMVMBYDBNKA-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000340790360 253304567 /nfs/dbraw/zinc/30/45/67/253304567.db2.gz DCNJMVMBYDBNKA-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCN1C ZINC000341142640 253349395 /nfs/dbraw/zinc/34/93/95/253349395.db2.gz NQAJQWARWPQYBY-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO CN1CCC(O)(C[NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000344527745 253795326 /nfs/dbraw/zinc/79/53/26/253795326.db2.gz HCBGEWVBDQZXDN-UHFFFAOYSA-N 1 3 301.394 0.814 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC1=O ZINC000346122498 254014126 /nfs/dbraw/zinc/01/41/26/254014126.db2.gz LMMPFTYNEDISOA-OAHLLOKOSA-N 1 3 324.469 0.197 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCN(C)C ZINC000349421129 254282613 /nfs/dbraw/zinc/28/26/13/254282613.db2.gz ZNWIHFUYYZRHFO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CCN(C)C ZINC000349421129 254282615 /nfs/dbraw/zinc/28/26/15/254282615.db2.gz ZNWIHFUYYZRHFO-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000351608499 254352389 /nfs/dbraw/zinc/35/23/89/254352389.db2.gz NEOAUQRMQKBOME-KGLIPLIRSA-N 1 3 303.472 0.861 20 0 DCADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000351608499 254352391 /nfs/dbraw/zinc/35/23/91/254352391.db2.gz NEOAUQRMQKBOME-KGLIPLIRSA-N 1 3 303.472 0.861 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351759940 254365643 /nfs/dbraw/zinc/36/56/43/254365643.db2.gz FBLIOUNGTBQRSG-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417093876 262245789 /nfs/dbraw/zinc/24/57/89/262245789.db2.gz PFCMEHDTQFFQFL-ZIAGYGMSSA-N 1 3 300.447 0.642 20 0 DCADHO C[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000295017782 224382705 /nfs/dbraw/zinc/38/27/05/224382705.db2.gz MXUUTBVUESAJDA-XIRDDKMYSA-N 1 3 316.449 0.829 20 0 DCADHO CCN1CCN([C@@H]2CCN(C[C@H](O)C[N@H+](C)C3CC3)C2)CC1 ZINC000336866197 285334276 /nfs/dbraw/zinc/33/42/76/285334276.db2.gz ODVTWFBTJCCGFH-IAGOWNOFSA-N 1 3 310.486 0.153 20 0 DCADHO CCN1CCN([C@@H]2CCN(C[C@H](O)C[N@@H+](C)C3CC3)C2)CC1 ZINC000336866197 285334278 /nfs/dbraw/zinc/33/42/78/285334278.db2.gz ODVTWFBTJCCGFH-IAGOWNOFSA-N 1 3 310.486 0.153 20 0 DCADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]1 ZINC000272460819 395892763 /nfs/dbraw/zinc/89/27/63/395892763.db2.gz OLYACBGXMWOAQC-MRXNPFEDSA-N 1 3 317.437 0.462 20 0 DCADHO C[C@@H]1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C[NH3+] ZINC000253237601 396025473 /nfs/dbraw/zinc/02/54/73/396025473.db2.gz PCHHZAUZXXWFLS-MGPQQGTHSA-N 1 3 303.472 0.575 20 0 DCADHO COc1ccc(OCCN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261627289 396050396 /nfs/dbraw/zinc/05/03/96/396050396.db2.gz BNUWIBGLXRJDTO-AWEZNQCLSA-N 1 3 321.421 0.861 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000261650509 396052687 /nfs/dbraw/zinc/05/26/87/396052687.db2.gz DGHFETLYJFMHRK-RQJABVFESA-N 1 3 301.456 0.327 20 0 DCADHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1 ZINC000261800739 396067177 /nfs/dbraw/zinc/06/71/77/396067177.db2.gz USMGOWJGRXHYRF-AWEZNQCLSA-N 1 3 321.421 0.991 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(C2CC2)n1 ZINC000069703403 396087592 /nfs/dbraw/zinc/08/75/92/396087592.db2.gz QVACIOYYRHMBEN-UHFFFAOYSA-N 1 3 305.426 0.919 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000262095784 396098307 /nfs/dbraw/zinc/09/83/07/396098307.db2.gz IJEABNVSSLLBLC-HNNXBMFYSA-N 1 3 312.458 0.417 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000073125187 396142546 /nfs/dbraw/zinc/14/25/46/396142546.db2.gz KKUDMNQZSYABRO-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000073125187 396142549 /nfs/dbraw/zinc/14/25/49/396142549.db2.gz KKUDMNQZSYABRO-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262317831 396122921 /nfs/dbraw/zinc/12/29/21/396122921.db2.gz RADJQUFPYAUYTI-CQSZACIVSA-N 1 3 305.426 0.514 20 0 DCADHO C[NH2+]CCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262392103 396134087 /nfs/dbraw/zinc/13/40/87/396134087.db2.gz OHWVHEDPKSGSTA-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000073183758 396143561 /nfs/dbraw/zinc/14/35/61/396143561.db2.gz FHKZAFRRKWADIQ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000073183758 396143564 /nfs/dbraw/zinc/14/35/64/396143564.db2.gz FHKZAFRRKWADIQ-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO COCCCN(C)CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278992215 396145760 /nfs/dbraw/zinc/14/57/60/396145760.db2.gz LDANUIQJCLJYTI-LBPRGKRZSA-N 1 3 309.414 0.185 20 0 DCADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262569379 396157116 /nfs/dbraw/zinc/15/71/16/396157116.db2.gz YRJXXGCWOPCBJB-IAGOWNOFSA-N 1 3 317.433 0.533 20 0 DCADHO C[C@H](N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262645054 396167784 /nfs/dbraw/zinc/16/77/84/396167784.db2.gz JUUYIMVGCDEPCC-XJKSGUPXSA-N 1 3 305.422 0.895 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000263277447 396211362 /nfs/dbraw/zinc/21/13/62/396211362.db2.gz YXLJAYXQPWAVLJ-INIZCTEOSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@](C)(O)C3)CC2)CC1 ZINC000185303976 396324462 /nfs/dbraw/zinc/32/44/62/396324462.db2.gz ICUMYPFYMPWAKC-KRWDZBQOSA-N 1 3 324.469 0.711 20 0 DCADHO CNC(=O)[C@H](C)CN(C)[C@@H](C)CC[N@H+](C)C[C@@H](C)C(=O)NC ZINC000153663338 545832832 /nfs/dbraw/zinc/83/28/32/545832832.db2.gz KJPFTJYDLNXFJE-MCIONIFRSA-N 1 3 314.474 0.393 20 0 DCADHO CNC(=O)[C@H](C)CN(C)[C@@H](C)CC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000153663338 545832835 /nfs/dbraw/zinc/83/28/35/545832835.db2.gz KJPFTJYDLNXFJE-MCIONIFRSA-N 1 3 314.474 0.393 20 0 DCADHO CCN1CCC([NH+]2CCC(C(=O)N3CC(N(C)C)C3)CC2)CC1 ZINC000580842397 396504654 /nfs/dbraw/zinc/50/46/54/396504654.db2.gz GATVEINFNCVZCJ-UHFFFAOYSA-N 1 3 322.497 0.955 20 0 DCADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000581666562 396573889 /nfs/dbraw/zinc/57/38/89/396573889.db2.gz NDYNFDMJUUNCQB-IIAWOOMASA-N 1 3 311.426 0.110 20 0 DCADHO C[C@H](CNC(=O)c1ccnc(OCCN(C)C)c1)C[NH+](C)C ZINC000293937080 396642537 /nfs/dbraw/zinc/64/25/37/396642537.db2.gz UNDKOAAZWKFVKZ-CYBMUJFWSA-N 1 3 308.426 0.950 20 0 DCADHO C[NH+](C)CCOCCNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000562183283 396652188 /nfs/dbraw/zinc/65/21/88/396652188.db2.gz YJXHIDJNPYAISO-HNNXBMFYSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C2)CC[C@H]1N1CCN(C)CC1 ZINC000584731044 396619316 /nfs/dbraw/zinc/61/93/16/396619316.db2.gz FNORJILLPZWPAH-QLFBSQMISA-N 1 3 309.458 0.016 20 0 DCADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Cn1cccn1 ZINC000584834650 396627445 /nfs/dbraw/zinc/62/74/45/396627445.db2.gz UUKNPGPZPMHTRQ-BZUAXINKSA-N 1 3 308.426 0.211 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000561199174 396633760 /nfs/dbraw/zinc/63/37/60/396633760.db2.gz PMAUIBCSRAQHSY-UONOGXRCSA-N 1 3 312.458 0.785 20 0 DCADHO COC[C@]1(C(=O)NC[C@@H]2NCCc3ccccc32)CC[NH2+]C1 ZINC000563797914 396777742 /nfs/dbraw/zinc/77/77/42/396777742.db2.gz BYXICAXJERTPMZ-RDJZCZTQSA-N 1 3 303.406 0.616 20 0 DCADHO O[C@@H]1CCN(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000629546943 396782901 /nfs/dbraw/zinc/78/29/01/396782901.db2.gz RETMQVMDRCWVOF-UWWQBHOKSA-N 1 3 317.433 0.899 20 0 DCADHO O[C@H]1CCN(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000629556511 396784759 /nfs/dbraw/zinc/78/47/59/396784759.db2.gz RETMQVMDRCWVOF-ZVZYQTTQSA-N 1 3 317.433 0.899 20 0 DCADHO OC[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000304804831 396733072 /nfs/dbraw/zinc/73/30/72/396733072.db2.gz QUNNLXYVNSRMDD-HOTGVXAUSA-N 1 3 300.443 0.412 20 0 DCADHO OC[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](CO)C2)C1 ZINC000304804831 396733077 /nfs/dbraw/zinc/73/30/77/396733077.db2.gz QUNNLXYVNSRMDD-HOTGVXAUSA-N 1 3 300.443 0.412 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000634251355 396820267 /nfs/dbraw/zinc/82/02/67/396820267.db2.gz IZUVMJRJMBFIBA-BYNSBNAKSA-N 1 3 324.469 0.479 20 0 DCADHO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@@H](N2CCCC2)C1 ZINC000564447199 396834389 /nfs/dbraw/zinc/83/43/89/396834389.db2.gz WWXSWTKRWJOAOL-CHWSQXEVSA-N 1 3 303.410 0.797 20 0 DCADHO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[C@@H](N2CCCC2)C1 ZINC000564447205 396834459 /nfs/dbraw/zinc/83/44/59/396834459.db2.gz WWXSWTKRWJOAOL-QWHCGFSZSA-N 1 3 303.410 0.797 20 0 DCADHO C[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@H](N)c1ccccc1 ZINC000375958729 396851677 /nfs/dbraw/zinc/85/16/77/396851677.db2.gz RGGJYFHPGRXJIR-BHYGNILZSA-N 1 3 316.449 0.829 20 0 DCADHO C[C@@H]1CN(C[C@@H](O)CNCC2([NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000564843996 396880343 /nfs/dbraw/zinc/88/03/43/396880343.db2.gz HATXIDMXCISFKF-OAGGEKHMSA-N 1 3 313.486 0.921 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332688079 396890643 /nfs/dbraw/zinc/89/06/43/396890643.db2.gz SUONQSODARHVLL-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C1 ZINC000332642689 396890686 /nfs/dbraw/zinc/89/06/86/396890686.db2.gz RYDPHRIBDYBAQL-KKUMJFAQSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000569863997 396920006 /nfs/dbraw/zinc/92/00/06/396920006.db2.gz RWZVBZRIFYTKGI-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339574616 396959898 /nfs/dbraw/zinc/95/98/98/396959898.db2.gz AJMBRIOTJVQUQI-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339574616 396959905 /nfs/dbraw/zinc/95/99/05/396959905.db2.gz AJMBRIOTJVQUQI-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000377589568 397108661 /nfs/dbraw/zinc/10/86/61/397108661.db2.gz SLUPHXAZCSMDCK-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000377570473 397104437 /nfs/dbraw/zinc/10/44/37/397104437.db2.gz YXMUIZATYLYKDP-QGZVFWFLSA-N 1 3 316.449 0.868 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612973062 397168261 /nfs/dbraw/zinc/16/82/61/397168261.db2.gz BURCFCAVWOHYPQ-HNNXBMFYSA-N 1 3 323.485 0.455 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCO1 ZINC000612982644 397170853 /nfs/dbraw/zinc/17/08/53/397170853.db2.gz ABWTUMGAAJYROQ-HUUCEWRRSA-N 1 3 324.469 0.929 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC23CC[NH2+]CC3)CCCO1 ZINC000612982642 397171046 /nfs/dbraw/zinc/17/10/46/397171046.db2.gz ABWTUMGAAJYROQ-CABCVRRESA-N 1 3 324.469 0.929 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630854448 397118920 /nfs/dbraw/zinc/11/89/20/397118920.db2.gz GDSXKJITHKIASV-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630854448 397118922 /nfs/dbraw/zinc/11/89/22/397118922.db2.gz GDSXKJITHKIASV-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CCN1 ZINC000592543857 397206192 /nfs/dbraw/zinc/20/61/92/397206192.db2.gz RAUBDLXQHOVDSI-GXTWGEPZSA-N 1 3 305.426 0.789 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NCCOCCN(C)C)CC1 ZINC000574496847 397273263 /nfs/dbraw/zinc/27/32/63/397273263.db2.gz NLEOFQPAXQGZQG-UHFFFAOYSA-N 1 3 300.447 0.596 20 0 DCADHO COCCNCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389931383 397299130 /nfs/dbraw/zinc/29/91/30/397299130.db2.gz LCNUQHLKQOVYOG-HOCLYGCPSA-N 1 3 305.422 0.859 20 0 DCADHO COCCNCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389931383 397299134 /nfs/dbraw/zinc/29/91/34/397299134.db2.gz LCNUQHLKQOVYOG-HOCLYGCPSA-N 1 3 305.422 0.859 20 0 DCADHO CCN1CCC[C@@H](NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592955669 397300744 /nfs/dbraw/zinc/30/07/44/397300744.db2.gz BXWFCHKBVJMCJX-QWHCGFSZSA-N 1 3 305.426 0.933 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398032465 397313184 /nfs/dbraw/zinc/31/31/84/397313184.db2.gz NWFFWXKBNGMEDD-RDJZCZTQSA-N 1 3 316.449 0.671 20 0 DCADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H]3CNc4ccnn4C3)C2)CC1 ZINC000602277184 397360561 /nfs/dbraw/zinc/36/05/61/397360561.db2.gz BPKXCIVDUVIQBW-GJZGRUSLSA-N 1 3 318.469 0.683 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000577868026 397368200 /nfs/dbraw/zinc/36/82/00/397368200.db2.gz ONXYZVOGYPCPOI-ILXRZTDVSA-N 1 3 324.469 0.419 20 0 DCADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC[C@@]2(C)CC[NH2+]C2)cn1 ZINC000415116662 397368432 /nfs/dbraw/zinc/36/84/32/397368432.db2.gz ZOZMDAVSPDHTFG-JYJNAYRXSA-N 1 3 309.433 0.922 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419414490 397380568 /nfs/dbraw/zinc/38/05/68/397380568.db2.gz DZFDURGLYPVXEH-RBSFLKMASA-N 1 3 324.469 0.611 20 0 DCADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419776302 397382987 /nfs/dbraw/zinc/38/29/87/397382987.db2.gz LPJPVNZWKLTBQG-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457449014 397426410 /nfs/dbraw/zinc/42/64/10/397426410.db2.gz XNDDFISGBYWDTH-HNNXBMFYSA-N 1 3 314.474 0.864 20 0 DCADHO CCS(=O)(=O)N1CC(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000578518707 397446987 /nfs/dbraw/zinc/44/69/87/397446987.db2.gz ASIOOKQCMGMEJX-RBSFLKMASA-N 1 3 315.483 0.778 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000578765186 397481209 /nfs/dbraw/zinc/48/12/09/397481209.db2.gz LKDBUTKUPIQRAK-MRXNPFEDSA-N 1 3 305.422 0.968 20 0 DCADHO CN1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000488551317 397495528 /nfs/dbraw/zinc/49/55/28/397495528.db2.gz SKAJFXSYKFEGME-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000578998581 397511948 /nfs/dbraw/zinc/51/19/48/397511948.db2.gz UNIBPDBJFGZWEG-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000579341251 397552614 /nfs/dbraw/zinc/55/26/14/397552614.db2.gz DYFRQPAUGWUZCH-KKUMJFAQSA-N 1 3 322.453 0.282 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000579341251 397552617 /nfs/dbraw/zinc/55/26/17/397552617.db2.gz DYFRQPAUGWUZCH-KKUMJFAQSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCN1C ZINC000579833673 397594675 /nfs/dbraw/zinc/59/46/75/397594675.db2.gz DLQXJWZVHUNKLV-UPJWGTAASA-N 1 3 306.414 0.243 20 0 DCADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNCC2 ZINC000579949837 397599477 /nfs/dbraw/zinc/59/94/77/397599477.db2.gz CERKOXDOERSZSU-CQSZACIVSA-N 1 3 302.378 0.139 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@]3(C)CCC[NH2+]3)C2)CC1 ZINC000579957511 397600487 /nfs/dbraw/zinc/60/04/87/397600487.db2.gz CNDAMIVYMRTQDR-RDJZCZTQSA-N 1 3 308.470 0.755 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000607341319 397700697 /nfs/dbraw/zinc/70/06/97/397700697.db2.gz KJOHNOFNYUNRKD-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000607341319 397700699 /nfs/dbraw/zinc/70/06/99/397700699.db2.gz KJOHNOFNYUNRKD-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126140806 158262056 /nfs/dbraw/zinc/26/20/56/158262056.db2.gz UVNJAZVGXIXSGO-JSGCOSHPSA-N 1 3 300.447 0.178 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(CC)CCC[NH2+]2)CC1 ZINC000134620193 158328456 /nfs/dbraw/zinc/32/84/56/158328456.db2.gz BQINKWAHZZPHQN-NVXWUHKLSA-N 1 3 310.486 0.908 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(CC)CCC[NH2+]2)CC1 ZINC000134594100 158329009 /nfs/dbraw/zinc/32/90/09/158329009.db2.gz QVOZAYVHRLXTMY-KRWDZBQOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](CC(=O)NCCCN1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000165003453 158364069 /nfs/dbraw/zinc/36/40/69/158364069.db2.gz AVWHRPCNHQZKQZ-HUUCEWRRSA-N 1 3 311.470 0.975 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000121933734 286956466 /nfs/dbraw/zinc/95/64/66/286956466.db2.gz IDCCCZHNLGDORZ-XGUBFFRZSA-N 1 3 324.469 0.467 20 0 DCADHO Cc1ccn(C)c(=O)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000132854429 287007600 /nfs/dbraw/zinc/00/76/00/287007600.db2.gz JQZZXZLECDEREE-UHFFFAOYSA-N 1 3 323.441 0.651 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246186802 287078566 /nfs/dbraw/zinc/07/85/66/287078566.db2.gz HYBIIGLZSPJASB-HUUCEWRRSA-N 1 3 314.474 0.936 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246186802 287078567 /nfs/dbraw/zinc/07/85/67/287078567.db2.gz HYBIIGLZSPJASB-HUUCEWRRSA-N 1 3 314.474 0.936 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000246483396 287084261 /nfs/dbraw/zinc/08/42/61/287084261.db2.gz OUAPFOMNDJZCNY-HZPDHXFCSA-N 1 3 305.422 0.956 20 0 DCADHO CCN1CCN(C(=O)[C@H](C)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000342088802 287152182 /nfs/dbraw/zinc/15/21/82/287152182.db2.gz ANGOZWWIUXLCBM-YHUYYLMFSA-N 1 3 308.470 0.598 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000358722498 287212838 /nfs/dbraw/zinc/21/28/38/287212838.db2.gz OMYQQMCIKZBMEZ-CZUORRHYSA-N 1 3 314.474 0.719 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332593702 287218578 /nfs/dbraw/zinc/21/85/78/287218578.db2.gz GYPZJEGTGKTMLM-MGPQQGTHSA-N 1 3 308.426 0.021 20 0 DCADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418337809 287244434 /nfs/dbraw/zinc/24/44/34/287244434.db2.gz BXFNKKKDFFDOID-QLFBSQMISA-N 1 3 312.458 0.473 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418535643 287249819 /nfs/dbraw/zinc/24/98/19/287249819.db2.gz DVPFASXVQCCLGG-OAHLLOKOSA-N 1 3 310.442 0.658 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000418992355 287259105 /nfs/dbraw/zinc/25/91/05/287259105.db2.gz ZPGKFCOGUFNSTO-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000418992355 287259107 /nfs/dbraw/zinc/25/91/07/287259107.db2.gz ZPGKFCOGUFNSTO-UONOGXRCSA-N 1 3 312.458 0.468 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000418957517 287258241 /nfs/dbraw/zinc/25/82/41/287258241.db2.gz ZZSYFRKQCKVZGK-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419024248 287263304 /nfs/dbraw/zinc/26/33/04/287263304.db2.gz FGSYKUONXQLTSX-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000419046754 287263845 /nfs/dbraw/zinc/26/38/45/287263845.db2.gz QTTWUJIYLOYUOZ-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419147965 287268469 /nfs/dbraw/zinc/26/84/69/287268469.db2.gz CTYPHVZSCCRSRB-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419151321 287270380 /nfs/dbraw/zinc/27/03/80/287270380.db2.gz MHOGEBZAGOFFGE-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419151321 287270382 /nfs/dbraw/zinc/27/03/82/287270382.db2.gz MHOGEBZAGOFFGE-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CCC1 ZINC000419226552 287275625 /nfs/dbraw/zinc/27/56/25/287275625.db2.gz JFNOQSJGIHKTPF-AWEZNQCLSA-N 1 3 322.453 0.365 20 0 DCADHO CCCNC(=O)CN(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341431 287292410 /nfs/dbraw/zinc/29/24/10/287292410.db2.gz OJZIBTUJQBTNTB-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000331605476 415151031 /nfs/dbraw/zinc/15/10/31/415151031.db2.gz IALIYAQXBKACLR-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000331624678 415157009 /nfs/dbraw/zinc/15/70/09/415157009.db2.gz YHFGXARXTUTPPI-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000342666926 415248982 /nfs/dbraw/zinc/24/89/82/415248982.db2.gz OLBMPODVOANULC-HUUCEWRRSA-N 1 3 312.458 0.615 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000342712909 415263848 /nfs/dbraw/zinc/26/38/48/415263848.db2.gz AZPQLEBTOUGNPY-ZIAGYGMSSA-N 1 3 313.442 0.894 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000342763939 415287626 /nfs/dbraw/zinc/28/76/26/415287626.db2.gz FJAUHBARXIIHBD-KBPBESRZSA-N 1 3 311.426 0.744 20 0 DCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000332283688 415329842 /nfs/dbraw/zinc/32/98/42/415329842.db2.gz LSBGVRPTQVMHOL-HZPDHXFCSA-N 1 3 324.469 0.868 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000332535185 415417761 /nfs/dbraw/zinc/41/77/61/415417761.db2.gz ADZLPDILMGWCPU-LXTVHRRPSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000332383881 415373220 /nfs/dbraw/zinc/37/32/20/415373220.db2.gz VOCFFYDKKYKMEV-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000074616426 415433836 /nfs/dbraw/zinc/43/38/36/415433836.db2.gz HEFBPCOOPITKGS-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO COCCCN(C)CCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000074616426 415433842 /nfs/dbraw/zinc/43/38/42/415433842.db2.gz HEFBPCOOPITKGS-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000343255701 415515905 /nfs/dbraw/zinc/51/59/05/415515905.db2.gz YHZRVDWEOWYPTE-GVDBMIGSSA-N 1 3 310.486 0.371 20 0 DCADHO CN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000332979036 415521001 /nfs/dbraw/zinc/52/10/01/415521001.db2.gz KIQIRDDCJCVSMO-JKSUJKDBSA-N 1 3 324.469 0.758 20 0 DCADHO Cc1cc(N2CC[C@H](NC[C@H]3CC[NH2+][C@H](C)C3)C2=O)n(C)n1 ZINC000333099444 415557456 /nfs/dbraw/zinc/55/74/56/415557456.db2.gz DOWRBONRFKUVOY-XBFCOCLRSA-N 1 3 305.426 0.812 20 0 DCADHO CN1CCC(O)(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000333297186 415603561 /nfs/dbraw/zinc/60/35/61/415603561.db2.gz BJGUIXIGIQPCPW-UHFFFAOYSA-N 1 3 324.469 0.617 20 0 DCADHO C[C@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@@H]1CCC[NH2+]C1 ZINC000333368046 415624808 /nfs/dbraw/zinc/62/48/08/415624808.db2.gz FBMFPPMFBHWZLJ-MYZSUADSSA-N 1 3 320.441 0.244 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N(C)C ZINC000106915554 415656801 /nfs/dbraw/zinc/65/68/01/415656801.db2.gz ZDNFBUOSAYZLIV-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N(C)C ZINC000106915554 415656809 /nfs/dbraw/zinc/65/68/09/415656809.db2.gz ZDNFBUOSAYZLIV-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCN1C ZINC000343634717 415662878 /nfs/dbraw/zinc/66/28/78/415662878.db2.gz GZOCVKOQDSTNAD-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCN1C ZINC000343634717 415662881 /nfs/dbraw/zinc/66/28/81/415662881.db2.gz GZOCVKOQDSTNAD-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333794836 415741752 /nfs/dbraw/zinc/74/17/52/415741752.db2.gz NBFNGJPQSCWBRW-KBPBESRZSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CCN(C2CC2)C1 ZINC000333827724 415746844 /nfs/dbraw/zinc/74/68/44/415746844.db2.gz LXXLTGUGRMFVSA-AWEZNQCLSA-N 1 3 309.458 0.017 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333763745 415735043 /nfs/dbraw/zinc/73/50/43/415735043.db2.gz AVRMATUXQHTJGX-ZIAGYGMSSA-N 1 3 310.442 0.633 20 0 DCADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000336852544 415836162 /nfs/dbraw/zinc/83/61/62/415836162.db2.gz SYTXSQRECBFJKY-MELADBBJSA-N 1 3 312.458 0.467 20 0 DCADHO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128210979 415896310 /nfs/dbraw/zinc/89/63/10/415896310.db2.gz YRUNXGSFIOXPAM-ZFWWWQNUSA-N 1 3 319.453 0.975 20 0 DCADHO CN1CCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000337141785 415916321 /nfs/dbraw/zinc/91/63/21/415916321.db2.gz SNVVTDOKSFARQZ-UHFFFAOYSA-N 1 3 311.474 0.360 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000344545888 415946247 /nfs/dbraw/zinc/94/62/47/415946247.db2.gz OAZDKKBDBHYLDV-AWEZNQCLSA-N 1 3 305.426 0.947 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000344545888 415946253 /nfs/dbraw/zinc/94/62/53/415946253.db2.gz OAZDKKBDBHYLDV-AWEZNQCLSA-N 1 3 305.426 0.947 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000173926085 416069268 /nfs/dbraw/zinc/06/92/68/416069268.db2.gz NKBYJGXZFLDRCP-ZDUSSCGKSA-N 1 3 308.430 0.908 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000173926085 416069269 /nfs/dbraw/zinc/06/92/69/416069269.db2.gz NKBYJGXZFLDRCP-ZDUSSCGKSA-N 1 3 308.430 0.908 20 0 DCADHO CCOC(=O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000357662383 416112884 /nfs/dbraw/zinc/11/28/84/416112884.db2.gz RPDFARTWDFNISM-UHFFFAOYSA-N 1 3 311.426 0.614 20 0 DCADHO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](N)CC(F)F)CC1 ZINC000345830494 416156419 /nfs/dbraw/zinc/15/64/19/416156419.db2.gz XMPYMCXIHGRNTB-LLVKDONJSA-N 1 3 307.385 0.975 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339947095 416169526 /nfs/dbraw/zinc/16/95/26/416169526.db2.gz BZCRIXLEBAGHHB-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340499808 416189133 /nfs/dbraw/zinc/18/91/33/416189133.db2.gz ODLWSCQZMSYGFD-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000340499808 416189137 /nfs/dbraw/zinc/18/91/37/416189137.db2.gz ODLWSCQZMSYGFD-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000331377097 416307777 /nfs/dbraw/zinc/30/77/77/416307777.db2.gz HIRNWHLRZFAJBN-VHDGCEQUSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N(C)C1CC1 ZINC000342079442 416281382 /nfs/dbraw/zinc/28/13/82/416281382.db2.gz SMKRSVYFNIWXOZ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N(C)C1CC1 ZINC000342079442 416281385 /nfs/dbraw/zinc/28/13/85/416281385.db2.gz SMKRSVYFNIWXOZ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000359327952 416341449 /nfs/dbraw/zinc/34/14/49/416341449.db2.gz HTZIYISGGMRIOZ-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)C2CNC2)c1 ZINC000415734410 416352606 /nfs/dbraw/zinc/35/26/06/416352606.db2.gz JFALOLRDIFEELQ-UHFFFAOYSA-N 1 3 318.421 0.897 20 0 DCADHO CN(C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000416818519 416377987 /nfs/dbraw/zinc/37/79/87/416377987.db2.gz ZRZMTEDZYIZENN-CVEARBPZSA-N 1 3 319.453 0.492 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000417313857 416382722 /nfs/dbraw/zinc/38/27/22/416382722.db2.gz QFEXZWJDAHGJRN-JKSUJKDBSA-N 1 3 320.437 0.967 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)NC(C)(C)C[NH3+] ZINC000418199802 416385379 /nfs/dbraw/zinc/38/53/79/416385379.db2.gz XRYCXTSCPSMGPJ-UHFFFAOYSA-N 1 3 309.414 0.559 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000419415999 416401390 /nfs/dbraw/zinc/40/13/90/416401390.db2.gz VPQFFUZEYZEVAB-KGLIPLIRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419416017 416401428 /nfs/dbraw/zinc/40/14/28/416401428.db2.gz VQWLXAZVGWELNU-KFWWJZLASA-N 1 3 324.469 0.278 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419433974 416401691 /nfs/dbraw/zinc/40/16/91/416401691.db2.gz ZVYIORCUFAQOCN-CYBMUJFWSA-N 1 3 318.421 0.014 20 0 DCADHO CC1(C)CC(NC(=O)C(=O)N2CCCC[C@@H]2CN)CC(C)(C)[NH2+]1 ZINC000419729061 416406830 /nfs/dbraw/zinc/40/68/30/416406830.db2.gz ZPRZEQRUSUIDGM-CYBMUJFWSA-N 1 3 324.469 0.752 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419772391 416410108 /nfs/dbraw/zinc/41/01/08/416410108.db2.gz HJNMHAXSOMEISI-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419803102 416412971 /nfs/dbraw/zinc/41/29/71/416412971.db2.gz MPPVNQTXUMIMJW-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423066598 416464463 /nfs/dbraw/zinc/46/44/63/416464463.db2.gz XKTKYRILTZFXPP-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423066601 416466435 /nfs/dbraw/zinc/46/64/35/416466435.db2.gz XKTKYRILTZFXPP-LSDHHAIUSA-N 1 3 324.469 0.243 20 0 DCADHO COC(=O)COc1ccccc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423201186 416478078 /nfs/dbraw/zinc/47/80/78/416478078.db2.gz HWBPBPLFOUMEHM-AWEZNQCLSA-N 1 3 321.421 0.794 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000423200752 416478727 /nfs/dbraw/zinc/47/87/27/416478727.db2.gz NBLIXJZHHKYWPP-KBPBESRZSA-N 1 3 308.426 0.023 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000583683371 416481457 /nfs/dbraw/zinc/48/14/57/416481457.db2.gz MDDDKWPTYAPDGF-SWLSCSKDSA-N 1 3 310.442 0.618 20 0 DCADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCC1 ZINC000458677501 416489225 /nfs/dbraw/zinc/48/92/25/416489225.db2.gz IAIRYDGRLPEMFK-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CCN(C2CC2)C1 ZINC000458679086 416489376 /nfs/dbraw/zinc/48/93/76/416489376.db2.gz ALUCYVMGFIKBFA-CQSZACIVSA-N 1 3 312.458 0.690 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000422291700 416424926 /nfs/dbraw/zinc/42/49/26/416424926.db2.gz DYQDCLHSWHASDN-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000422291700 416424928 /nfs/dbraw/zinc/42/49/28/416424928.db2.gz DYQDCLHSWHASDN-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)CCOCCNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458682199 416490019 /nfs/dbraw/zinc/49/00/19/416490019.db2.gz CFFNYNUGBGEFAX-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO Cc1ccc(S(=O)(=O)NCCN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422939125 416451093 /nfs/dbraw/zinc/45/10/93/416451093.db2.gz QUIMZRKEFSMEMB-ZFWWWQNUSA-N 1 3 311.451 0.990 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000423599107 416524765 /nfs/dbraw/zinc/52/47/65/416524765.db2.gz XEMPPSFOCIXODS-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423625787 416530225 /nfs/dbraw/zinc/53/02/25/416530225.db2.gz RLZJCNYGMDGRFU-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO COC[C@]1(C(=O)NC[C@@]2(N(C)C)CCSC2)CC[NH2+]C1 ZINC000423347322 416493959 /nfs/dbraw/zinc/49/39/59/416493959.db2.gz RCDVPNABBAPMDL-KBPBESRZSA-N 1 3 301.456 0.166 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423360381 416496683 /nfs/dbraw/zinc/49/66/83/416496683.db2.gz LIMZZQRMOGWKLC-ZDUSSCGKSA-N 1 3 322.457 0.867 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000584166946 416504412 /nfs/dbraw/zinc/50/44/12/416504412.db2.gz VYAXMCXDDDQXQK-AJNGGQMLSA-N 1 3 322.453 0.123 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000423409709 416505687 /nfs/dbraw/zinc/50/56/87/416505687.db2.gz ZAYBBQTXCQORGP-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423437176 416512585 /nfs/dbraw/zinc/51/25/85/416512585.db2.gz TWFIBKVPAVLYRJ-OAHLLOKOSA-N 1 3 310.486 0.908 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423513036 416519772 /nfs/dbraw/zinc/51/97/72/416519772.db2.gz BYDCHAMNQOYFCW-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO O=C(CCOC1CNC1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423950325 416597466 /nfs/dbraw/zinc/59/74/66/416597466.db2.gz NVCVAQYNGSBWLT-UHFFFAOYSA-N 1 3 310.423 0.927 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000514797705 416677544 /nfs/dbraw/zinc/67/75/44/416677544.db2.gz YHAYXKGNFPOXJF-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000514859116 416679481 /nfs/dbraw/zinc/67/94/81/416679481.db2.gz JIZLOMHWMVZCSE-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])C[C@H]2N)cn1 ZINC000424227337 416629786 /nfs/dbraw/zinc/62/97/86/416629786.db2.gz QQEXUQZMTBMPGF-FAAHXZRKSA-N 1 3 305.426 0.581 20 0 DCADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424229579 416630243 /nfs/dbraw/zinc/63/02/43/416630243.db2.gz XPZPJYRKZZKRGA-BYNSBNAKSA-N 1 3 305.426 0.307 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C[C@H]2N)cn1 ZINC000424233555 416631022 /nfs/dbraw/zinc/63/10/22/416631022.db2.gz JCXODTSCFKGIMG-YHUYYLMFSA-N 1 3 319.453 0.971 20 0 DCADHO C[C@@H](CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@@H]1CCC[NH2+]C1 ZINC000424249570 416632814 /nfs/dbraw/zinc/63/28/14/416632814.db2.gz YHNQDWHSAAEDLB-LQKXBSAESA-N 1 3 319.453 0.699 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000516180000 416718174 /nfs/dbraw/zinc/71/81/74/416718174.db2.gz QTZAVERINBCGSZ-ZBFHGGJFSA-N 1 3 317.437 0.158 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000516561568 416726439 /nfs/dbraw/zinc/72/64/39/416726439.db2.gz AVNHTQKKXDPOKZ-GJZGRUSLSA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCc1cn(C[C@H](O)C[N@H+](C)Cc2ccccc2)nn1 ZINC000641215488 416736855 /nfs/dbraw/zinc/73/68/55/416736855.db2.gz XKUINWPKMZOWKI-QGZVFWFLSA-N 1 3 317.437 0.875 20 0 DCADHO CN(C)CCc1cn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641215488 416736863 /nfs/dbraw/zinc/73/68/63/416736863.db2.gz XKUINWPKMZOWKI-QGZVFWFLSA-N 1 3 317.437 0.875 20 0 DCADHO [NH3+]CCC1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631948524 416823465 /nfs/dbraw/zinc/82/34/65/416823465.db2.gz INGHYSVGHNKYOP-UHFFFAOYSA-N 1 3 303.472 0.863 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000631848841 416766231 /nfs/dbraw/zinc/76/62/31/416766231.db2.gz NJWUGVALODWXQY-JYJNAYRXSA-N 1 3 302.422 0.452 20 0 DCADHO CC[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)CC[C@@H]1[NH3+] ZINC000631932328 416813731 /nfs/dbraw/zinc/81/37/31/416813731.db2.gz TXBOCGHTXKUOOZ-KGLIPLIRSA-N 1 3 303.472 0.861 20 0 DCADHO O=S(=O)(CCCN1CCCC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000631940905 416818006 /nfs/dbraw/zinc/81/80/06/416818006.db2.gz JDYKZGJJZLLNPU-AWEZNQCLSA-N 1 3 303.472 0.924 20 0 DCADHO N[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000517739383 416821806 /nfs/dbraw/zinc/82/18/06/416821806.db2.gz OLELMYFZRIVJBS-UONOGXRCSA-N 1 3 304.394 0.061 20 0 DCADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000562754557 416870678 /nfs/dbraw/zinc/87/06/78/416870678.db2.gz MFANHLXFMBJTMK-RYUDHWBXSA-N 1 3 324.429 0.679 20 0 DCADHO CN(C)CCN(CCN(C)C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000518942791 416881734 /nfs/dbraw/zinc/88/17/34/416881734.db2.gz VUEQCQYOSIATQS-OAHLLOKOSA-N 1 3 313.490 0.653 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369860946 416837610 /nfs/dbraw/zinc/83/76/10/416837610.db2.gz RAISRSHTQLAEFR-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369860946 416837617 /nfs/dbraw/zinc/83/76/17/416837617.db2.gz RAISRSHTQLAEFR-RBSFLKMASA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000518346571 416851059 /nfs/dbraw/zinc/85/10/59/416851059.db2.gz TYGLADUCJXOPOY-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000565256134 416960527 /nfs/dbraw/zinc/96/05/27/416960527.db2.gz XEFUJRMOGNVWSP-ZDUSSCGKSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH+](C)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000446283795 416921926 /nfs/dbraw/zinc/92/19/26/416921926.db2.gz XICOTXQOWLOYSM-QDEZUTFSSA-N 1 3 309.454 0.975 20 0 DCADHO C[NH+](C)CCCOc1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000623937839 416922723 /nfs/dbraw/zinc/92/27/23/416922723.db2.gz VZCOFBGMBIODNT-UHFFFAOYSA-N 1 3 317.397 0.061 20 0 DCADHO C[NH+](C)[C@@H](CNc1nc(N)nc(N)n1)c1ccc(Cl)cc1 ZINC000624014112 416936946 /nfs/dbraw/zinc/93/69/46/416936946.db2.gz RNYMRERMLMSXON-JTQLQIEISA-N 1 3 307.789 0.487 20 0 DCADHO C[C@@H](CCNc1nc(N)nc(N)n1)[N@H+](C)Cc1ccccc1 ZINC000624013797 416939011 /nfs/dbraw/zinc/93/90/11/416939011.db2.gz JPIOLXJTEBIOJC-NSHDSACASA-N 1 3 301.398 0.441 20 0 DCADHO C[C@@H](CCNc1nc(N)nc(N)n1)[N@@H+](C)Cc1ccccc1 ZINC000624013797 416939015 /nfs/dbraw/zinc/93/90/15/416939015.db2.gz JPIOLXJTEBIOJC-NSHDSACASA-N 1 3 301.398 0.441 20 0 DCADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000642119476 417028656 /nfs/dbraw/zinc/02/86/56/417028656.db2.gz TZIBWSCLOBKIPR-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CN(C2CCC2)CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000429383264 416968911 /nfs/dbraw/zinc/96/89/11/416968911.db2.gz GYTZQNWMKNKTJY-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@H]1CN(C2CCC2)CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000429383264 416968917 /nfs/dbraw/zinc/96/89/17/416968917.db2.gz GYTZQNWMKNKTJY-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000389971341 417101945 /nfs/dbraw/zinc/10/19/45/417101945.db2.gz CEDJVJRKILGUFW-WBVHZDCISA-N 1 3 316.449 0.528 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000642262589 417038720 /nfs/dbraw/zinc/03/87/20/417038720.db2.gz ISWLEMVTFSSZOC-CHWSQXEVSA-N 1 3 306.410 0.087 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642431219 417053299 /nfs/dbraw/zinc/05/32/99/417053299.db2.gz ZVDGCEXMDOTGCS-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000642439568 417053850 /nfs/dbraw/zinc/05/38/50/417053850.db2.gz MGEALXKSSQEYOB-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CC1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000642785965 417102750 /nfs/dbraw/zinc/10/27/50/417102750.db2.gz UUDUIJOVSUXBNP-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000637265479 417055791 /nfs/dbraw/zinc/05/57/91/417055791.db2.gz QRMSMLVLJGGROP-ZNMIVQPWSA-N 1 3 314.474 0.861 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000637265479 417055799 /nfs/dbraw/zinc/05/57/99/417055799.db2.gz QRMSMLVLJGGROP-ZNMIVQPWSA-N 1 3 314.474 0.861 20 0 DCADHO C[C@H](CN)[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430915567 417080914 /nfs/dbraw/zinc/08/09/14/417080914.db2.gz DDIUJZALXNRXFG-CQSZACIVSA-N 1 3 305.426 0.399 20 0 DCADHO C[C@H](CN)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430915567 417080918 /nfs/dbraw/zinc/08/09/18/417080918.db2.gz DDIUJZALXNRXFG-CQSZACIVSA-N 1 3 305.426 0.399 20 0 DCADHO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000568240722 417109933 /nfs/dbraw/zinc/10/99/33/417109933.db2.gz YSVIIRUUBOHLPQ-CABCVRRESA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642906610 417116614 /nfs/dbraw/zinc/11/66/14/417116614.db2.gz WLALSMQIPSHTFP-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000642911630 417121258 /nfs/dbraw/zinc/12/12/58/417121258.db2.gz KRFOVZHCVLBDHE-RBSFLKMASA-N 1 3 322.453 0.459 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000637532742 417131954 /nfs/dbraw/zinc/13/19/54/417131954.db2.gz LCHSSYVSBGFTNZ-AWEZNQCLSA-N 1 3 310.442 0.587 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000642930335 417129988 /nfs/dbraw/zinc/12/99/88/417129988.db2.gz ALLVCGYTABJAFB-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000642983381 417137650 /nfs/dbraw/zinc/13/76/50/417137650.db2.gz APVWROABWKFGTM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568492192 417142328 /nfs/dbraw/zinc/14/23/28/417142328.db2.gz PYHRSBIPZDNVBT-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449342424 417142475 /nfs/dbraw/zinc/14/24/75/417142475.db2.gz BKUJLHDRIPACOB-KBPBESRZSA-N 1 3 320.441 0.634 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000568885963 417189778 /nfs/dbraw/zinc/18/97/78/417189778.db2.gz NTGMXAWOOIXTQM-CABCVRRESA-N 1 3 311.474 0.391 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637822832 417198393 /nfs/dbraw/zinc/19/83/93/417198393.db2.gz BUKPLMPNJZCJLJ-NSHDSACASA-N 1 3 319.409 0.771 20 0 DCADHO CN(CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000643460848 417214974 /nfs/dbraw/zinc/21/49/74/417214974.db2.gz PBERHAFTVFEVKJ-MGPQQGTHSA-N 1 3 303.472 0.778 20 0 DCADHO CN(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000643460849 417215104 /nfs/dbraw/zinc/21/51/04/417215104.db2.gz PBERHAFTVFEVKJ-MJBXVCDLSA-N 1 3 303.472 0.778 20 0 DCADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCCO1 ZINC000414183025 417265622 /nfs/dbraw/zinc/26/56/22/417265622.db2.gz DPGUYQIJCMPHBB-CVEARBPZSA-N 1 3 311.470 0.940 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433401431 417266017 /nfs/dbraw/zinc/26/60/17/417266017.db2.gz SCYLYCDMFHGXNJ-KWCYVHTRSA-N 1 3 318.425 0.415 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627117891 417240868 /nfs/dbraw/zinc/24/08/68/417240868.db2.gz YHFFNKOVLBCANJ-YUELXQCFSA-N 1 3 310.442 0.679 20 0 DCADHO C[NH+](C)Cc1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000569474823 417256802 /nfs/dbraw/zinc/25/68/02/417256802.db2.gz RYQSZIDIGOYEAE-KRWDZBQOSA-N 1 3 307.438 0.531 20 0 DCADHO C[NH2+]CCOCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000627177800 417260809 /nfs/dbraw/zinc/26/08/09/417260809.db2.gz RTURCUCLCXQBQK-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414837992 417305194 /nfs/dbraw/zinc/30/51/94/417305194.db2.gz HXNQHSFVKIMSKR-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414833864 417307997 /nfs/dbraw/zinc/30/79/97/417307997.db2.gz BHABARAUJPFPAI-CQSZACIVSA-N 1 3 318.421 0.945 20 0 DCADHO CN(C)C(=O)COc1ccccc1CNCCN1CC[NH2+]CC1 ZINC000414868405 417311175 /nfs/dbraw/zinc/31/11/75/417311175.db2.gz PLFRRVJIAADMMR-UHFFFAOYSA-N 1 3 320.437 0.148 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000638070786 417311666 /nfs/dbraw/zinc/31/16/66/417311666.db2.gz AGBRYBOYRVXNFT-HNNXBMFYSA-N 1 3 301.431 0.230 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)[C@@]1(COC)CCCCN1 ZINC000638070786 417311673 /nfs/dbraw/zinc/31/16/73/417311673.db2.gz AGBRYBOYRVXNFT-HNNXBMFYSA-N 1 3 301.431 0.230 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414881552 417311978 /nfs/dbraw/zinc/31/19/78/417311978.db2.gz RMWYNHZWAHQSDU-OAHLLOKOSA-N 1 3 316.405 0.481 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)N[C@@H](CO)CN2CCCCC2)cn1 ZINC000632997986 417313462 /nfs/dbraw/zinc/31/34/62/417313462.db2.gz JSHOKFSYHBLBHD-OAHLLOKOSA-N 1 3 323.441 0.021 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621839386 417318403 /nfs/dbraw/zinc/31/84/03/417318403.db2.gz RWHWWUDWBATSDK-VBQJREDUSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638097987 417326074 /nfs/dbraw/zinc/32/60/74/417326074.db2.gz YQULKNCKLWSQRV-MRXNPFEDSA-N 1 3 306.454 0.902 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638097987 417326082 /nfs/dbraw/zinc/32/60/82/417326082.db2.gz YQULKNCKLWSQRV-MRXNPFEDSA-N 1 3 306.454 0.902 20 0 DCADHO NCC(=O)N1CCC[C@H](CN2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC000415131395 417333313 /nfs/dbraw/zinc/33/33/13/417333313.db2.gz SDPVJQSFUZCAFU-WBVHZDCISA-N 1 3 316.449 0.830 20 0 DCADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2CCNCC2)C1 ZINC000638111659 417333957 /nfs/dbraw/zinc/33/39/57/417333957.db2.gz OZJRKJQLBPIWDV-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2CCNCC2)C1 ZINC000638111659 417333962 /nfs/dbraw/zinc/33/39/62/417333962.db2.gz OZJRKJQLBPIWDV-HNNXBMFYSA-N 1 3 310.486 0.908 20 0 DCADHO COC[C@@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]C1 ZINC000570273735 417334600 /nfs/dbraw/zinc/33/46/00/417334600.db2.gz MYABDZRRQBNKHK-MRXNPFEDSA-N 1 3 305.378 0.733 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638125198 417342971 /nfs/dbraw/zinc/34/29/71/417342971.db2.gz DGQIRKMAAWSMCB-NVXWUHKLSA-N 1 3 318.465 0.904 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638125198 417342975 /nfs/dbraw/zinc/34/29/75/417342975.db2.gz DGQIRKMAAWSMCB-NVXWUHKLSA-N 1 3 318.465 0.904 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000570710192 417383566 /nfs/dbraw/zinc/38/35/66/417383566.db2.gz MNUHSWGJTVZGMI-PMOUVXMZSA-N 1 3 320.441 0.374 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000627381489 417385925 /nfs/dbraw/zinc/38/59/25/417385925.db2.gz SRHKSLRYPVEEAJ-UHFFFAOYSA-N 1 3 300.447 0.419 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415353693 417370142 /nfs/dbraw/zinc/37/01/42/417370142.db2.gz AYXDIOHCZSLZDY-LBPRGKRZSA-N 1 3 306.410 0.849 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000570635350 417374396 /nfs/dbraw/zinc/37/43/96/417374396.db2.gz DEJDHLKGAUQWOV-GFCCVEGCSA-N 1 3 306.414 0.274 20 0 DCADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)ccc1CN(C)C ZINC000415376752 417374903 /nfs/dbraw/zinc/37/49/03/417374903.db2.gz LLQWPPFPSSWGFE-HNNXBMFYSA-N 1 3 318.421 0.863 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638208350 417377612 /nfs/dbraw/zinc/37/76/12/417377612.db2.gz TUTJLPSVNZPBKR-IMJJTQAJSA-N 1 3 304.438 0.702 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000529308469 417433757 /nfs/dbraw/zinc/43/37/57/417433757.db2.gz RGLLIQQYLCNYMF-HUUCEWRRSA-N 1 3 311.474 0.262 20 0 DCADHO CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000529308469 417433763 /nfs/dbraw/zinc/43/37/63/417433763.db2.gz RGLLIQQYLCNYMF-HUUCEWRRSA-N 1 3 311.474 0.262 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426667 417453086 /nfs/dbraw/zinc/45/30/86/417453086.db2.gz FFBWGWFTLYLTJY-ISXOHVOVSA-N 1 3 302.422 0.314 20 0 DCADHO CO[C@@]1(C[NH2+]C2CCN(C3CCN(C)CC3)CC2)CCOC1 ZINC000638459725 417463663 /nfs/dbraw/zinc/46/36/63/417463663.db2.gz LQALCOFLCFCPIF-QGZVFWFLSA-N 1 3 311.470 0.940 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCC1 ZINC000575902716 417562013 /nfs/dbraw/zinc/56/20/13/417562013.db2.gz RLVQWEADCVGMGP-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO [NH3+]Cc1ccc2c(c1)N(C(=O)C[C@@H]1CSCCN1)CCO2 ZINC000638805465 417562763 /nfs/dbraw/zinc/56/27/63/417562763.db2.gz IZCWPRDYLDFOLP-GFCCVEGCSA-N 1 3 307.419 0.966 20 0 DCADHO CN(C)CCn1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)n1 ZINC000575328642 417528143 /nfs/dbraw/zinc/52/81/43/417528143.db2.gz WAUAVWVPWPYAPL-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000576155955 417583909 /nfs/dbraw/zinc/58/39/09/417583909.db2.gz PEEJWZKNNJOWMK-JSGCOSHPSA-N 1 3 311.426 0.376 20 0 DCADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000638977421 417593644 /nfs/dbraw/zinc/59/36/44/417593644.db2.gz LKEDHDMMTNNWOO-HOCLYGCPSA-N 1 3 321.425 0.855 20 0 DCADHO O=C(CCc1nnc[nH]1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638983839 417597514 /nfs/dbraw/zinc/59/75/14/417597514.db2.gz HNPJPPODDQFDNP-UHFFFAOYSA-N 1 3 301.354 0.181 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC2(C[NH3+])CCCCC2)CC1=O ZINC000638997618 417601959 /nfs/dbraw/zinc/60/19/59/417601959.db2.gz VSGLHAYLJBGKMU-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CC[NH+]1CCN(CCC(=O)N2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000531299475 417617569 /nfs/dbraw/zinc/61/75/69/417617569.db2.gz NYGLYHBDZASQFZ-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO COCCNCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000576582033 417622065 /nfs/dbraw/zinc/62/20/65/417622065.db2.gz PQCQCRZXOOPDNE-UHFFFAOYSA-N 1 3 306.410 0.650 20 0 DCADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000644639753 417634924 /nfs/dbraw/zinc/63/49/24/417634924.db2.gz XTYPVIZFRBENQD-HUUCEWRRSA-N 1 3 317.474 0.014 20 0 DCADHO C[C@@H]1C[N@H+](CCc2cncn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000639554418 417694208 /nfs/dbraw/zinc/69/42/08/417694208.db2.gz SXRHKNHGROSTMX-WBVHZDCISA-N 1 3 305.470 0.920 20 0 DCADHO C[C@@H]1C[N@@H+](CCc2cncn2C)CC[C@@H]1N1CCN(C)CC1 ZINC000639554418 417694211 /nfs/dbraw/zinc/69/42/11/417694211.db2.gz SXRHKNHGROSTMX-WBVHZDCISA-N 1 3 305.470 0.920 20 0 DCADHO C[C@@H]1CN(CCc2cncn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000639554418 417694214 /nfs/dbraw/zinc/69/42/14/417694214.db2.gz SXRHKNHGROSTMX-WBVHZDCISA-N 1 3 305.470 0.920 20 0 DCADHO CN1CCC(C[NH2+]CCC[C@@H]2CCO2)(N2CCOCC2)CC1 ZINC000639262156 417646624 /nfs/dbraw/zinc/64/66/24/417646624.db2.gz VYGKKNYTHZIYRL-MRXNPFEDSA-N 1 3 311.470 0.942 20 0 DCADHO CN(C)CC[N@H+](C)CCCN(C)[C@H]1CCN(C2CCC2)C1=O ZINC000639644730 417707349 /nfs/dbraw/zinc/70/73/49/417707349.db2.gz ACBIOYRZTWTIIG-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CN(C)CC[N@@H+](C)CCCN(C)[C@H]1CCN(C2CCC2)C1=O ZINC000639644730 417707352 /nfs/dbraw/zinc/70/73/52/417707352.db2.gz ACBIOYRZTWTIIG-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CN(CCCN(C)[C@H]1CCN(C2CCC2)C1=O)CC[NH+](C)C ZINC000639644730 417707355 /nfs/dbraw/zinc/70/73/55/417707355.db2.gz ACBIOYRZTWTIIG-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)C[C@H]1CSCCN1 ZINC000662632389 417827180 /nfs/dbraw/zinc/82/71/80/417827180.db2.gz CZIFGTPDJILOOM-ZDUSSCGKSA-N 1 3 302.488 0.081 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662659010 417837458 /nfs/dbraw/zinc/83/74/58/417837458.db2.gz HRHZXEKFNMWXRK-LSDHHAIUSA-N 1 3 324.469 0.101 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000662539840 417798520 /nfs/dbraw/zinc/79/85/20/417798520.db2.gz LROZYIQZXJVUBH-GRYCIOLGSA-N 1 3 303.410 0.842 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662661226 417839399 /nfs/dbraw/zinc/83/93/99/417839399.db2.gz NFLXKYVKXSGCRN-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000646012328 417848032 /nfs/dbraw/zinc/84/80/32/417848032.db2.gz MJCXGHBKHKJSNT-CYBMUJFWSA-N 1 3 308.430 0.621 20 0 DCADHO CN1CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681368 417849486 /nfs/dbraw/zinc/84/94/86/417849486.db2.gz GBLYFHCYAGXRFI-OLZOCXBDSA-N 1 3 306.414 0.274 20 0 DCADHO O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662686255 417852016 /nfs/dbraw/zinc/85/20/16/417852016.db2.gz LCQOXBIXDQVXEJ-LSDHHAIUSA-N 1 3 305.378 0.665 20 0 DCADHO NCc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000646578858 417872394 /nfs/dbraw/zinc/87/23/94/417872394.db2.gz HKNLEXLGAMOCMY-UHFFFAOYSA-N 1 3 300.366 0.914 20 0 DCADHO C[C@@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCC[NH2+]C1 ZINC000662749500 417886521 /nfs/dbraw/zinc/88/65/21/417886521.db2.gz IVROXUHPKFPTLL-WDEREUQCSA-N 1 3 307.398 0.283 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652352148 417891817 /nfs/dbraw/zinc/89/18/17/417891817.db2.gz LRYNHJMSZLPDJC-YOEHRIQHSA-N 1 3 308.470 0.648 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662674645 417846358 /nfs/dbraw/zinc/84/63/58/417846358.db2.gz DVEAOZZBXJUKFW-HOTGVXAUSA-N 1 3 321.421 0.607 20 0 DCADHO CN1CCN(CCC[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657295691 417846805 /nfs/dbraw/zinc/84/68/05/417846805.db2.gz JFXUUECCBYDWDH-UHFFFAOYSA-N 1 3 314.437 0.994 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662674176 417846837 /nfs/dbraw/zinc/84/68/37/417846837.db2.gz ZHZGRUMQLAUVKV-LSDHHAIUSA-N 1 3 307.394 0.929 20 0 DCADHO CC(C)C[C@H]([NH2+][C@H](C)Cn1cncn1)C(=O)NCCN(C)C ZINC000657955394 417921622 /nfs/dbraw/zinc/92/16/22/417921622.db2.gz KYTVRHHKCXJHFX-KGLIPLIRSA-N 1 3 310.446 0.349 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859492 417927128 /nfs/dbraw/zinc/92/71/28/417927128.db2.gz NKTIBUMTOKGPLQ-HZPDHXFCSA-N 1 3 305.422 0.853 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859492 417927136 /nfs/dbraw/zinc/92/71/36/417927136.db2.gz NKTIBUMTOKGPLQ-HZPDHXFCSA-N 1 3 305.422 0.853 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858621 417927286 /nfs/dbraw/zinc/92/72/86/417927286.db2.gz GXXFENZSKFOSCF-XKQJLSEDSA-N 1 3 317.433 0.867 20 0 DCADHO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000662860115 417931371 /nfs/dbraw/zinc/93/13/71/417931371.db2.gz QHVGEDQDYBGXKJ-XHSDSOJGSA-N 1 3 303.406 0.607 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000652612541 417931782 /nfs/dbraw/zinc/93/17/82/417931782.db2.gz VJWBZGOWBCXCCV-OAHLLOKOSA-N 1 3 306.414 0.662 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cn1 ZINC000652612266 417932428 /nfs/dbraw/zinc/93/24/28/417932428.db2.gz NRQALQBTGXZKPH-JSGCOSHPSA-N 1 3 306.414 0.660 20 0 DCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CN1CCCC[C@H](N)C1=O ZINC000662887211 417938704 /nfs/dbraw/zinc/93/87/04/417938704.db2.gz VFWLUTAPNAVDLK-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000652699717 417947329 /nfs/dbraw/zinc/94/73/29/417947329.db2.gz CDLGDMZXOLFPER-LSDHHAIUSA-N 1 3 324.469 0.564 20 0 DCADHO CCCN1CC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662909309 417948156 /nfs/dbraw/zinc/94/81/56/417948156.db2.gz CQZOMGTXZAJPRB-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000658516651 417979777 /nfs/dbraw/zinc/97/97/77/417979777.db2.gz ODHPHOHFIKEUTA-OAHLLOKOSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652725399 417956835 /nfs/dbraw/zinc/95/68/35/417956835.db2.gz GPBLFKQNLYDESZ-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000662945290 417959330 /nfs/dbraw/zinc/95/93/30/417959330.db2.gz LWJIWTKYRZOJGV-USWWRNFRSA-N 1 3 305.382 0.178 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)[C@@H]1C[NH3+] ZINC000652732565 417959577 /nfs/dbraw/zinc/95/95/77/417959577.db2.gz NXCROWPCNGNXMA-HUUCEWRRSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641091832 417970441 /nfs/dbraw/zinc/97/04/41/417970441.db2.gz RYCIQHYDEOQUMB-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO Cc1cn[nH]c1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000647508944 418017215 /nfs/dbraw/zinc/01/72/15/418017215.db2.gz AOLPGJXZHLRABN-KGLIPLIRSA-N 1 3 305.426 0.798 20 0 DCADHO CCN(C(=O)C(=O)N(C)CC[NH+]1CCCC1)[C@H]1CCN(CC)C1 ZINC000658830468 418028358 /nfs/dbraw/zinc/02/83/58/418028358.db2.gz UHJHFVGAFLFKBJ-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(C(=O)C(=O)N(C)CC[NH+]1CCCC1)[C@@H]1CCN(CC)C1 ZINC000658830469 418028506 /nfs/dbraw/zinc/02/85/06/418028506.db2.gz UHJHFVGAFLFKBJ-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO Cc1cc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)ccc1CN(C)C ZINC000663608127 418037026 /nfs/dbraw/zinc/03/70/26/418037026.db2.gz CUERJOJBJIRODT-QGZVFWFLSA-N 1 3 318.421 0.863 20 0 DCADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)C[C@@H]2CNCCO2)C1 ZINC000653267735 418049606 /nfs/dbraw/zinc/04/96/06/418049606.db2.gz VKPXLSOSIVAZJO-KBXIAJHMSA-N 1 3 311.426 0.252 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663612156 418037443 /nfs/dbraw/zinc/03/74/43/418037443.db2.gz GIMQOLYGDGWTRE-QGZVFWFLSA-N 1 3 318.421 0.863 20 0 DCADHO CCO[C@H]1C[C@@](N)(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1(C)C ZINC000653247610 418047182 /nfs/dbraw/zinc/04/71/82/418047182.db2.gz JXWMUNXZJABJBK-NFFDBFGFSA-N 1 3 313.442 0.341 20 0 DCADHO C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659510077 418108222 /nfs/dbraw/zinc/10/82/22/418108222.db2.gz JYLQXCFEJOODGM-SQWLQELKSA-N 1 3 324.469 0.927 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659552330 418117771 /nfs/dbraw/zinc/11/77/71/418117771.db2.gz YMQZYLMBINOWCG-HZPDHXFCSA-N 1 3 320.437 0.790 20 0 DCADHO C[C@@H](NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000659552482 418117834 /nfs/dbraw/zinc/11/78/34/418117834.db2.gz YWNSLAOWZXKBJH-ZENOOKHLSA-N 1 3 320.437 0.788 20 0 DCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663794034 418058083 /nfs/dbraw/zinc/05/80/83/418058083.db2.gz VHTQSADCGMOYEM-AJNGGQMLSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663794034 418058086 /nfs/dbraw/zinc/05/80/86/418058086.db2.gz VHTQSADCGMOYEM-AJNGGQMLSA-N 1 3 312.458 0.423 20 0 DCADHO CC[C@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659552329 418118014 /nfs/dbraw/zinc/11/80/14/418118014.db2.gz YMQZYLMBINOWCG-HOTGVXAUSA-N 1 3 320.437 0.790 20 0 DCADHO CCN(CCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000663920045 418067982 /nfs/dbraw/zinc/06/79/82/418067982.db2.gz LAINHGGBTSYKMD-INIZCTEOSA-N 1 3 324.469 0.711 20 0 DCADHO CCN(CCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000663920045 418067984 /nfs/dbraw/zinc/06/79/84/418067984.db2.gz LAINHGGBTSYKMD-INIZCTEOSA-N 1 3 324.469 0.711 20 0 DCADHO CN(C)CCN(C(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000659257152 418074323 /nfs/dbraw/zinc/07/43/23/418074323.db2.gz VSJLFLVGALPDJK-UHFFFAOYSA-N 1 3 302.382 0.445 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000664066260 418082088 /nfs/dbraw/zinc/08/20/88/418082088.db2.gz SSMDRPZRHGEBIG-KGLIPLIRSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C[NH+]1CCCC1 ZINC000659438960 418097540 /nfs/dbraw/zinc/09/75/40/418097540.db2.gz QKSJDAHJPZISBX-LLVKDONJSA-N 1 3 322.413 0.172 20 0 DCADHO CCN1CCN(CCCCNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659436040 418097587 /nfs/dbraw/zinc/09/75/87/418097587.db2.gz OHWAADLWMVGNCX-UHFFFAOYSA-N 1 3 323.485 0.455 20 0 DCADHO C[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)CN1CCN(C)CC1 ZINC000659461364 418100365 /nfs/dbraw/zinc/10/03/65/418100365.db2.gz ZQKWRVSLAQUQPZ-HLIUYOAVSA-N 1 3 309.458 0.003 20 0 DCADHO C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC[NH+](C)CC1 ZINC000659457664 418100950 /nfs/dbraw/zinc/10/09/50/418100950.db2.gz HUPQZHKBQMRWAL-JTQLQIEISA-N 1 3 322.413 0.170 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NCC23CC(C2)C[NH2+]3)CCCO1 ZINC000659487212 418105154 /nfs/dbraw/zinc/10/51/54/418105154.db2.gz RIIPLJFZCOZKIW-VQCLRJIVSA-N 1 3 310.442 0.539 20 0 DCADHO C[NH2+]CCCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659505029 418107348 /nfs/dbraw/zinc/10/73/48/418107348.db2.gz FUFLDKKPINDQGG-INIZCTEOSA-N 1 3 320.437 0.662 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654421303 418142591 /nfs/dbraw/zinc/14/25/91/418142591.db2.gz AMAWINGUSSWNST-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654421303 418142593 /nfs/dbraw/zinc/14/25/93/418142593.db2.gz AMAWINGUSSWNST-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCOC1 ZINC000664642696 418142995 /nfs/dbraw/zinc/14/29/95/418142995.db2.gz BUCNCEXYDWBWGP-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCOC1 ZINC000664642696 418142998 /nfs/dbraw/zinc/14/29/98/418142998.db2.gz BUCNCEXYDWBWGP-LSDHHAIUSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659681083 418145625 /nfs/dbraw/zinc/14/56/25/418145625.db2.gz PGRZKNICVWAUIG-CHWSQXEVSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659685782 418146111 /nfs/dbraw/zinc/14/61/11/418146111.db2.gz VHOLCYBCSCDWST-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659689152 418147575 /nfs/dbraw/zinc/14/75/75/418147575.db2.gz ULNAEWSITWPABI-TUBUQKNSSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659689152 418147579 /nfs/dbraw/zinc/14/75/79/418147579.db2.gz ULNAEWSITWPABI-TUBUQKNSSA-N 1 3 322.453 0.173 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659699348 418151778 /nfs/dbraw/zinc/15/17/78/418151778.db2.gz ODZCQVHKWAMPGW-CHWSQXEVSA-N 1 3 300.447 0.323 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](CN)C1 ZINC000659701793 418153084 /nfs/dbraw/zinc/15/30/84/418153084.db2.gz JLVZMSSXJCIMSL-KBXIAJHMSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](CN)C1 ZINC000659701793 418153088 /nfs/dbraw/zinc/15/30/88/418153088.db2.gz JLVZMSSXJCIMSL-KBXIAJHMSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000659719722 418161854 /nfs/dbraw/zinc/16/18/54/418161854.db2.gz LEZDZZYAQPZHKC-KGLIPLIRSA-N 1 3 324.469 0.609 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000659738713 418170966 /nfs/dbraw/zinc/17/09/66/418170966.db2.gz ITAFONVYMWZYAQ-BYNSBNAKSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000659741527 418173218 /nfs/dbraw/zinc/17/32/18/418173218.db2.gz ODBQLSRULZXPJV-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742598 418173589 /nfs/dbraw/zinc/17/35/89/418173589.db2.gz ATFNTRXQSYJQAG-SFYCDEOASA-N 1 3 322.453 0.043 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000649351550 418246846 /nfs/dbraw/zinc/24/68/46/418246846.db2.gz ACYILEQTZFPMAI-ZDUSSCGKSA-N 1 3 303.410 0.772 20 0 DCADHO CN(CC1CC[NH+](C)CC1)C(=O)CN1CCCC[C@H](N)C1=O ZINC000649374097 418249598 /nfs/dbraw/zinc/24/95/98/418249598.db2.gz RVGSEMMFQSELMJ-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649071701 418190627 /nfs/dbraw/zinc/19/06/27/418190627.db2.gz PMRWWQTVTWNPHX-OLZOCXBDSA-N 1 3 312.458 0.732 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649074774 418193126 /nfs/dbraw/zinc/19/31/26/418193126.db2.gz PGJRNUZRPUBYCY-MJBXVCDLSA-N 1 3 310.442 0.438 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649280748 418220192 /nfs/dbraw/zinc/22/01/92/418220192.db2.gz IUALKWUGMSFIFM-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649280748 418220193 /nfs/dbraw/zinc/22/01/93/418220193.db2.gz IUALKWUGMSFIFM-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000649302349 418228245 /nfs/dbraw/zinc/22/82/45/418228245.db2.gz HWTVFXNEUVILCK-KBPBESRZSA-N 1 3 313.442 0.371 20 0 DCADHO CN(C)CCn1cc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cn1 ZINC000655913321 418299728 /nfs/dbraw/zinc/29/97/28/418299728.db2.gz GMXIKZFCFYIPDE-VIFPVBQESA-N 1 3 308.308 0.456 20 0 DCADHO CN(C)[C@]1(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CCSC1 ZINC000655919589 418301511 /nfs/dbraw/zinc/30/15/11/418301511.db2.gz HXRZTTNCCNHHGZ-SCZZXKLOSA-N 1 3 314.377 0.613 20 0 DCADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)C(F)(F)F ZINC000655929166 418304088 /nfs/dbraw/zinc/30/40/88/418304088.db2.gz XWVPWGBXEBZMGV-UWVGGRQHSA-N 1 3 312.336 0.022 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656020387 418317718 /nfs/dbraw/zinc/31/77/18/418317718.db2.gz RBFKTYLANPWBTH-HUUCEWRRSA-N 1 3 322.453 0.378 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)C1 ZINC000656022049 418318674 /nfs/dbraw/zinc/31/86/74/418318674.db2.gz ANDKTEFVYMYPKM-VHDGCEQUSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028737 418321028 /nfs/dbraw/zinc/32/10/28/418321028.db2.gz PVLYJJSJGLQDLW-YJNKXOJESA-N 1 3 322.453 0.315 20 0 DCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656029294 418321247 /nfs/dbraw/zinc/32/12/47/418321247.db2.gz XWGFOPOEMONXGB-CKEIUWERSA-N 1 3 322.453 0.317 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656029366 418321337 /nfs/dbraw/zinc/32/13/37/418321337.db2.gz YWYIZFKAJIRBAS-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000661201141 418322758 /nfs/dbraw/zinc/32/27/58/418322758.db2.gz YOTYNKRFHFKXDY-JKIFEVAISA-N 1 3 321.465 0.822 20 0 DCADHO C[C@@H](CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[NH+](C)C ZINC000656195811 418334765 /nfs/dbraw/zinc/33/47/65/418334765.db2.gz OOQQVXQACRYETQ-GJZGRUSLSA-N 1 3 311.474 0.358 20 0 DCADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661987459 418374866 /nfs/dbraw/zinc/37/48/66/418374866.db2.gz QVJLTPMYXGPCLD-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661987459 418374868 /nfs/dbraw/zinc/37/48/68/418374868.db2.gz QVJLTPMYXGPCLD-CVEARBPZSA-N 1 3 324.469 0.975 20 0 DCADHO NC(=O)CCN(Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248478 418393008 /nfs/dbraw/zinc/39/30/08/418393008.db2.gz CVSPSKQXGDUTNY-HNNXBMFYSA-N 1 3 303.406 0.885 20 0 DCADHO O=C(NC1CCN(C2CC2)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662366042 418403672 /nfs/dbraw/zinc/40/36/72/418403672.db2.gz ZETZDOXCLVULDJ-NSHDSACASA-N 1 3 303.410 0.843 20 0 DCADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H](C)C(=O)NC ZINC001649438087 1173134087 /nfs/dbraw/zinc/13/40/87/1173134087.db2.gz YONBJFMPYJOZOF-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@H](C)C(=O)NC ZINC001649438087 1173134092 /nfs/dbraw/zinc/13/40/92/1173134092.db2.gz YONBJFMPYJOZOF-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332314597 287620966 /nfs/dbraw/zinc/62/09/66/287620966.db2.gz QCIZIHFFIFRQNG-ILXRZTDVSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1([NH3+])CCCCC1 ZINC000237017310 261156774 /nfs/dbraw/zinc/15/67/74/261156774.db2.gz XZAKYBPXEPUVCG-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CN1CCN(CCC(C)(C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000354506846 261229013 /nfs/dbraw/zinc/22/90/13/261229013.db2.gz QZWZVTUWCLGZQK-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354662748 261253295 /nfs/dbraw/zinc/25/32/95/261253295.db2.gz MITYVZYCEXUUKF-GXTWGEPZSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCC1 ZINC000354800315 261273066 /nfs/dbraw/zinc/27/30/66/261273066.db2.gz JUIFZCHRMSKMHF-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CCC1 ZINC000354800315 261273068 /nfs/dbraw/zinc/27/30/68/261273068.db2.gz JUIFZCHRMSKMHF-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCOCCN(C)C ZINC000355331647 261331818 /nfs/dbraw/zinc/33/18/18/261331818.db2.gz AOJNSPKPJASHDY-LSDHHAIUSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362564787 262047666 /nfs/dbraw/zinc/04/76/66/262047666.db2.gz OBZRMQAEKFOSEE-OLZOCXBDSA-N 1 3 321.425 0.327 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000362718023 262065449 /nfs/dbraw/zinc/06/54/49/262065449.db2.gz YQDAFIXHZGBFFQ-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000362718023 262065453 /nfs/dbraw/zinc/06/54/53/262065453.db2.gz YQDAFIXHZGBFFQ-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000362987889 262092253 /nfs/dbraw/zinc/09/22/53/262092253.db2.gz WAKWCQBMVCRLIN-HIFRSBDPSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000362987889 262092256 /nfs/dbraw/zinc/09/22/56/262092256.db2.gz WAKWCQBMVCRLIN-HIFRSBDPSA-N 1 3 320.437 0.836 20 0 DCADHO CC(C)(C)OC(=O)N1CC(CCO)(NCC2CC[NH2+]CC2)C1 ZINC000397932975 262163981 /nfs/dbraw/zinc/16/39/81/262163981.db2.gz CKWZQVODYWXTQE-UHFFFAOYSA-N 1 3 313.442 0.948 20 0 DCADHO CCN1CC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000413826618 262223869 /nfs/dbraw/zinc/22/38/69/262223869.db2.gz ATYAMVXCDKJHRN-LSDHHAIUSA-N 1 3 312.458 0.473 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000417072096 262244838 /nfs/dbraw/zinc/24/48/38/262244838.db2.gz RBKRXUQVAMNCBY-INIZCTEOSA-N 1 3 319.453 0.451 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000417093875 262245588 /nfs/dbraw/zinc/24/55/88/262245588.db2.gz PFCMEHDTQFFQFL-UONOGXRCSA-N 1 3 300.447 0.642 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000417097163 262245933 /nfs/dbraw/zinc/24/59/33/262245933.db2.gz WXHKPTAABNSZTG-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000417088687 262245962 /nfs/dbraw/zinc/24/59/62/262245962.db2.gz HSMBJMDDKPDFAK-CYBMUJFWSA-N 1 3 300.447 0.724 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000417099422 262246234 /nfs/dbraw/zinc/24/62/34/262246234.db2.gz ZXKHUMXSIWSZCO-ZIAGYGMSSA-N 1 3 300.447 0.866 20 0 DCADHO CN(CCNC(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000417232739 262248290 /nfs/dbraw/zinc/24/82/90/262248290.db2.gz QLJNHJJXSXTDRK-HNNXBMFYSA-N 1 3 306.410 0.406 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000417545654 262255290 /nfs/dbraw/zinc/25/52/90/262255290.db2.gz KCVMJMAJSFYMIW-CQSZACIVSA-N 1 3 312.458 0.912 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000417698628 262257934 /nfs/dbraw/zinc/25/79/34/262257934.db2.gz DUTWGFFTYMKEIF-LSDHHAIUSA-N 1 3 306.410 0.706 20 0 DCADHO COCCCN(C)CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417745823 262260342 /nfs/dbraw/zinc/26/03/42/262260342.db2.gz FSQNTWVLMPTRSR-AWEZNQCLSA-N 1 3 300.447 0.644 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000417809345 262261918 /nfs/dbraw/zinc/26/19/18/262261918.db2.gz MLLPULVSZARBGL-OAHLLOKOSA-N 1 3 312.458 0.912 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000417821963 262262438 /nfs/dbraw/zinc/26/24/38/262262438.db2.gz ZRZOXVCPEJCYJY-CYBMUJFWSA-N 1 3 300.447 0.912 20 0 DCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000417827605 262262977 /nfs/dbraw/zinc/26/29/77/262262977.db2.gz PSFRLNOGRWCJQQ-IJLUTSLNSA-N 1 3 322.375 0.327 20 0 DCADHO [NH3+]CCCn1ccc2cc(C(=O)NC[C@@H]3CNCCO3)ccc21 ZINC000417850886 262264071 /nfs/dbraw/zinc/26/40/71/262264071.db2.gz XZEOEQUPUXUHRL-HNNXBMFYSA-N 1 3 316.405 0.708 20 0 DCADHO COCCNCCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000417893664 262264423 /nfs/dbraw/zinc/26/44/23/262264423.db2.gz SGQTVAXUOOAABB-CQSZACIVSA-N 1 3 300.447 0.500 20 0 DCADHO COCCNCCNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000417893664 262264425 /nfs/dbraw/zinc/26/44/25/262264425.db2.gz SGQTVAXUOOAABB-CQSZACIVSA-N 1 3 300.447 0.500 20 0 DCADHO C[C@@H](CCC[NH3+])NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417956707 262266234 /nfs/dbraw/zinc/26/62/34/262266234.db2.gz TWMGIWFIQMHSHN-ZDUSSCGKSA-N 1 3 323.441 0.949 20 0 DCADHO CCCN(C(=O)NCCOCCN(C)C)C1CC[NH2+]CC1 ZINC000418068619 262268948 /nfs/dbraw/zinc/26/89/48/262268948.db2.gz ODKRJKZVWLTTLO-UHFFFAOYSA-N 1 3 300.447 0.738 20 0 DCADHO CN(CC[NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077093 262269217 /nfs/dbraw/zinc/26/92/17/262269217.db2.gz SEBJRFLOEWBTLL-INIZCTEOSA-N 1 3 320.437 0.878 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NCC[C@H]2CC[NH2+]C2)CCCO1 ZINC000418115999 262270515 /nfs/dbraw/zinc/27/05/15/262270515.db2.gz PMRXKCQUPSUNOU-LSDHHAIUSA-N 1 3 312.458 0.786 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418162197 262271694 /nfs/dbraw/zinc/27/16/94/262271694.db2.gz FPQDXYYTBVDTBH-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418190840 262271880 /nfs/dbraw/zinc/27/18/80/262271880.db2.gz JUKNMSIKAHTUSI-AWEZNQCLSA-N 1 3 321.425 0.573 20 0 DCADHO CSC1(CNC(=O)N[C@H](C[NH3+])C2CC2)CCN(C)CC1 ZINC000418195432 262272601 /nfs/dbraw/zinc/27/26/01/262272601.db2.gz FYLXHLVFJUFYNL-GFCCVEGCSA-N 1 3 300.472 0.850 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN1CCCO ZINC000418409935 262276249 /nfs/dbraw/zinc/27/62/49/262276249.db2.gz ODOVHJCUBBUKFO-RRFJBIMHSA-N 1 3 312.458 0.650 20 0 DCADHO COCCNCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000418483426 262279285 /nfs/dbraw/zinc/27/92/85/262279285.db2.gz CGBRQCSHZAUEDR-OAHLLOKOSA-N 1 3 312.458 0.596 20 0 DCADHO COCCNCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000418483426 262279287 /nfs/dbraw/zinc/27/92/87/262279287.db2.gz CGBRQCSHZAUEDR-OAHLLOKOSA-N 1 3 312.458 0.596 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418516515 262280101 /nfs/dbraw/zinc/28/01/01/262280101.db2.gz SOFVJAVKNLAUPY-MCIONIFRSA-N 1 3 312.458 0.864 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418515835 262280355 /nfs/dbraw/zinc/28/03/55/262280355.db2.gz QNJGZFDRCVJNPS-CJNGLKHVSA-N 1 3 306.410 0.270 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418588590 262283344 /nfs/dbraw/zinc/28/33/44/262283344.db2.gz HYXOOJFAQFRPEA-RRFJBIMHSA-N 1 3 312.458 0.376 20 0 DCADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418639071 262284406 /nfs/dbraw/zinc/28/44/06/262284406.db2.gz PFODXYANOPNHIQ-GDBMZVCRSA-N 1 3 317.437 0.076 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418828286 262291641 /nfs/dbraw/zinc/29/16/41/262291641.db2.gz CUYVJXXVCZOOBZ-ZFWWWQNUSA-N 1 3 320.437 0.129 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419080674 262307146 /nfs/dbraw/zinc/30/71/46/262307146.db2.gz PXTIGNSXPQXXFB-RRFJBIMHSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419083257 262307737 /nfs/dbraw/zinc/30/77/37/262307737.db2.gz VZZVPVCCSOLDHP-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419081788 262307840 /nfs/dbraw/zinc/30/78/40/262307840.db2.gz SDUZHWYROCIDJF-RRFJBIMHSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419084452 262307877 /nfs/dbraw/zinc/30/78/77/262307877.db2.gz YOZCWIOCKCJUNE-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO C[NH2+]CCC1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000419099728 262309453 /nfs/dbraw/zinc/30/94/53/262309453.db2.gz IKZFTDLPCZZCOS-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCCC2)C1 ZINC000419117968 262309775 /nfs/dbraw/zinc/30/97/75/262309775.db2.gz ICPIEFYWNOLGTI-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419126381 262311080 /nfs/dbraw/zinc/31/10/80/262311080.db2.gz WHCQTZGAQMUJTA-WMLDXEAASA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419124633 262311123 /nfs/dbraw/zinc/31/11/23/262311123.db2.gz RFBXNKCWDZCWKK-KFWWJZLASA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419129522 262311654 /nfs/dbraw/zinc/31/16/54/262311654.db2.gz DFQKMRAABRMVTF-RYUDHWBXSA-N 1 3 300.447 0.275 20 0 DCADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC[NH3+] ZINC000419159900 262314504 /nfs/dbraw/zinc/31/45/04/262314504.db2.gz GSKJDBZJNWECQQ-HNNXBMFYSA-N 1 3 320.437 0.334 20 0 DCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@@H]2CN)CC1 ZINC000419158439 262314745 /nfs/dbraw/zinc/31/47/45/262314745.db2.gz NAQIDORRXMVAHH-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419169897 262316277 /nfs/dbraw/zinc/31/62/77/262316277.db2.gz MVHYUNMGIHLQJH-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C[C@@H]1[NH3+] ZINC000419229348 262321008 /nfs/dbraw/zinc/32/10/08/262321008.db2.gz OQHBXGUIJOYRLY-SNPRPXQTSA-N 1 3 322.453 0.173 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419235726 262321758 /nfs/dbraw/zinc/32/17/58/262321758.db2.gz ZHJIZEBOGDZDQQ-CABCVRRESA-N 1 3 322.453 0.187 20 0 DCADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419233552 262322060 /nfs/dbraw/zinc/32/20/60/262322060.db2.gz WIJDQFTZXMSSIK-CABCVRRESA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N1CCC(C)CC1 ZINC000419369080 262327965 /nfs/dbraw/zinc/32/79/65/262327965.db2.gz GZIFDEDTFNPVPP-HUUCEWRRSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419407131 262330403 /nfs/dbraw/zinc/33/04/03/262330403.db2.gz JQDZYZGFAJOYHG-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419417116 262332014 /nfs/dbraw/zinc/33/20/14/262332014.db2.gz WRLRGOULBWMFIW-UHFFFAOYSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419426253 262333420 /nfs/dbraw/zinc/33/34/20/262333420.db2.gz QOFQPVKONJZKMA-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419480450 262334012 /nfs/dbraw/zinc/33/40/12/262334012.db2.gz NIPJDRHLULDUEB-UKRRQHHQSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000419480450 262334013 /nfs/dbraw/zinc/33/40/13/262334013.db2.gz NIPJDRHLULDUEB-UKRRQHHQSA-N 1 3 324.469 0.611 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000419587169 262339132 /nfs/dbraw/zinc/33/91/32/262339132.db2.gz NLWDPWCEOKUEAB-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)N(C)C1CC1 ZINC000419593599 262339776 /nfs/dbraw/zinc/33/97/76/262339776.db2.gz SXIBGPZVNLLOPQ-OCCSQVGLSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC[C@@H]1[NH3+] ZINC000419691547 262345823 /nfs/dbraw/zinc/34/58/23/262345823.db2.gz DYQNFTLWHJLFBN-NFAWXSAZSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419694140 262346115 /nfs/dbraw/zinc/34/61/15/262346115.db2.gz ISSIKGATSQCPEU-KFWWJZLASA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419701310 262347474 /nfs/dbraw/zinc/34/74/74/262347474.db2.gz TWNOLTZFZWCNQX-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699109 262347560 /nfs/dbraw/zinc/34/75/60/262347560.db2.gz VKIKCEOOCLNVGG-MGPQQGTHSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000419840387 262348500 /nfs/dbraw/zinc/34/85/00/262348500.db2.gz ZJJKAGACRHAUIY-MGPQQGTHSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000419840387 262348501 /nfs/dbraw/zinc/34/85/01/262348501.db2.gz ZJJKAGACRHAUIY-MGPQQGTHSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000419989219 262355850 /nfs/dbraw/zinc/35/58/50/262355850.db2.gz GLLMGCCZBATNDP-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000419989219 262355851 /nfs/dbraw/zinc/35/58/51/262355851.db2.gz GLLMGCCZBATNDP-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO NC[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000420058833 262358556 /nfs/dbraw/zinc/35/85/56/262358556.db2.gz JDVOTGNZWSNPBE-OAHLLOKOSA-N 1 3 322.453 0.317 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)C1CC1 ZINC000420071893 262358891 /nfs/dbraw/zinc/35/88/91/262358891.db2.gz YHNCDOGMWLOUFD-HUUCEWRRSA-N 1 3 322.453 0.317 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420071094 262358992 /nfs/dbraw/zinc/35/89/92/262358992.db2.gz XNEWPIRZDPYJSN-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420071094 262358993 /nfs/dbraw/zinc/35/89/93/262358993.db2.gz XNEWPIRZDPYJSN-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420075387 262359438 /nfs/dbraw/zinc/35/94/38/262359438.db2.gz SFBYIAMVOMAPJJ-OAHLLOKOSA-N 1 3 324.469 0.564 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000420131837 262362350 /nfs/dbraw/zinc/36/23/50/262362350.db2.gz XONCFFSWBDIPHQ-KBPBESRZSA-N 1 3 312.458 0.561 20 0 DCADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)C[C@H](O)CN ZINC000420355006 262370524 /nfs/dbraw/zinc/37/05/24/262370524.db2.gz PFVIBMGUIHNSLO-LLVKDONJSA-N 1 3 315.801 0.929 20 0 DCADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)C[C@H](O)CN ZINC000420355006 262370525 /nfs/dbraw/zinc/37/05/25/262370525.db2.gz PFVIBMGUIHNSLO-LLVKDONJSA-N 1 3 315.801 0.929 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)C[NH+]1CCCC1 ZINC000422083232 262394833 /nfs/dbraw/zinc/39/48/33/262394833.db2.gz HOZDNXSIPYQMNI-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423059951 262428071 /nfs/dbraw/zinc/42/80/71/262428071.db2.gz GWROUTJBNJZLKN-HUUCEWRRSA-N 1 3 324.469 0.101 20 0 DCADHO [NH3+]C1CCN(CCCC(=O)NCCCN2CCOCC2)CC1 ZINC000433179470 262653472 /nfs/dbraw/zinc/65/34/72/262653472.db2.gz YFBUESMLVVKYGN-UHFFFAOYSA-N 1 3 312.458 0.028 20 0 DCADHO CC(C)[NH+](CCN(C)C(=O)[C@@H]1CN2CCN1CCC2)C(C)C ZINC000357056626 271040133 /nfs/dbraw/zinc/04/01/33/271040133.db2.gz YEXLRSSKWIUNBR-INIZCTEOSA-N 1 3 310.486 0.954 20 0 DCADHO O=C(CN1CCCC1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359228731 271107664 /nfs/dbraw/zinc/10/76/64/271107664.db2.gz XKWQTPLZNLEPHM-UHFFFAOYSA-N 1 3 308.470 0.616 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418713825 271249934 /nfs/dbraw/zinc/24/99/34/271249934.db2.gz HNEPJLUKLDWPJL-ZIAGYGMSSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419025176 271265886 /nfs/dbraw/zinc/26/58/86/271265886.db2.gz MEZMSPPXGIZKBS-LXTVHRRPSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419031361 271268369 /nfs/dbraw/zinc/26/83/69/271268369.db2.gz VGXBUXNERFYMIV-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419033724 271269510 /nfs/dbraw/zinc/26/95/10/271269510.db2.gz YXFUXZCADJPXTH-COMQUAJESA-N 1 3 324.469 0.323 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000419065545 271271776 /nfs/dbraw/zinc/27/17/76/271271776.db2.gz AHXSMILGYQOMFD-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000419140986 271276204 /nfs/dbraw/zinc/27/62/04/271276204.db2.gz AAIFHGJTMXQPIP-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCCNCC1)C(C)(C)C ZINC000419144135 271276379 /nfs/dbraw/zinc/27/63/79/271276379.db2.gz ZSVZYDROEYRBSB-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419401866 271288476 /nfs/dbraw/zinc/28/84/76/271288476.db2.gz BGNKAGWKYFEYJA-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419523608 271297677 /nfs/dbraw/zinc/29/76/77/271297677.db2.gz OSQNQSSGHWNTRH-CZUORRHYSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419522996 271298553 /nfs/dbraw/zinc/29/85/53/271298553.db2.gz NNDPRLXWBXTZKK-MELADBBJSA-N 1 3 312.458 0.419 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419576340 271309123 /nfs/dbraw/zinc/30/91/23/271309123.db2.gz CCBKJMAXUOZJFA-KFWWJZLASA-N 1 3 324.469 0.611 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419575752 271310115 /nfs/dbraw/zinc/31/01/15/271310115.db2.gz BDAHGHAKSDLJNF-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419857323 271333929 /nfs/dbraw/zinc/33/39/29/271333929.db2.gz KAFOABBARKJGOQ-LSDHHAIUSA-N 1 3 322.453 0.189 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000420115275 271356172 /nfs/dbraw/zinc/35/61/72/271356172.db2.gz FFFCFDAVKKOGCU-CYBMUJFWSA-N 1 3 300.447 0.419 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000459891271 272017025 /nfs/dbraw/zinc/01/70/25/272017025.db2.gz ARDYPABZVZBQDN-UHFFFAOYSA-N 1 3 312.458 0.197 20 0 DCADHO CN(C)C/C=C\C(=O)NC(C)(C)CCNC(=O)/C=C/C[NH+](C)C ZINC000493363948 272183787 /nfs/dbraw/zinc/18/37/87/272183787.db2.gz FRBZMRWDARQYOP-ZWOQCJTASA-N 1 3 324.469 0.623 20 0 DCADHO CN(C)C/C=C/C(=O)NCCC(C)(C)NC(=O)/C=C\C[NH+](C)C ZINC000493363948 272183789 /nfs/dbraw/zinc/18/37/89/272183789.db2.gz FRBZMRWDARQYOP-ZWOQCJTASA-N 1 3 324.469 0.623 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000515075511 272416939 /nfs/dbraw/zinc/41/69/39/272416939.db2.gz ZUHGNLDNFNVRDW-CYBMUJFWSA-N 1 3 310.442 0.221 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000415089655 274944195 /nfs/dbraw/zinc/94/41/95/274944195.db2.gz ZDBXHFLIIZOKFD-HIFRSBDPSA-N 1 3 303.406 0.777 20 0 DCADHO CN1CCN(c2ncc(CN[C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000414810675 277114863 /nfs/dbraw/zinc/11/48/63/277114863.db2.gz VPVRQRARQFCWPH-CVEARBPZSA-N 1 3 318.469 0.836 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419780911 277480811 /nfs/dbraw/zinc/48/08/11/277480811.db2.gz RMFUWYDWSZGRER-CQSZACIVSA-N 1 3 324.469 0.467 20 0 DCADHO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@H]1O ZINC000547648333 288064727 /nfs/dbraw/zinc/06/47/27/288064727.db2.gz KDQJTYCWWZQLNA-HZPDHXFCSA-N 1 3 309.454 0.965 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000342084874 279326132 /nfs/dbraw/zinc/32/61/32/279326132.db2.gz KGZNJLLXGFKRTM-LALPHHSUSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000342084874 279326134 /nfs/dbraw/zinc/32/61/34/279326134.db2.gz KGZNJLLXGFKRTM-LALPHHSUSA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000552500590 288276668 /nfs/dbraw/zinc/27/66/68/288276668.db2.gz FLNWCWODAGOUCT-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332593703 281196170 /nfs/dbraw/zinc/19/61/70/281196170.db2.gz GYPZJEGTGKTMLM-RDBSUJKOSA-N 1 3 308.426 0.021 20 0 DCADHO C[C@@]1(O)CCC[N@@H+](CCOCCN2CCC[C@](C)(O)C2)C1 ZINC000124957919 289208549 /nfs/dbraw/zinc/20/85/49/289208549.db2.gz VZSLRLAQZGKDKB-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO C[C@@]1(O)CCC[N@H+](CCOCCN2CCC[C@](C)(O)C2)C1 ZINC000124957919 289208551 /nfs/dbraw/zinc/20/85/51/289208551.db2.gz VZSLRLAQZGKDKB-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO C[C@@]1(O)CCCN(CCOCC[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000124957919 289208552 /nfs/dbraw/zinc/20/85/52/289208552.db2.gz VZSLRLAQZGKDKB-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO C[C@@]1(O)CCCN(CCOCC[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000124957919 289208553 /nfs/dbraw/zinc/20/85/53/289208553.db2.gz VZSLRLAQZGKDKB-IYBDPMFKSA-N 1 3 300.443 0.697 20 0 DCADHO CN(c1ccccc1CN(CC[NH3+])CCO)C1CCN(C)CC1 ZINC000414916294 289785074 /nfs/dbraw/zinc/78/50/74/289785074.db2.gz RYYQVHUOYUWXSY-UHFFFAOYSA-N 1 3 320.481 0.970 20 0 DCADHO COC[C@]1(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CCC[NH2+]1 ZINC000331763132 293289504 /nfs/dbraw/zinc/28/95/04/293289504.db2.gz HGDOAYFUEQODEN-HLLBOEOZSA-N 1 3 324.469 0.881 20 0 DCADHO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)C[C@@H]12 ZINC000351479548 295323399 /nfs/dbraw/zinc/32/33/99/295323399.db2.gz RSZIHHMATBXFAI-APHBMKBZSA-N 1 3 306.454 0.399 20 0 DCADHO O=C(CNC[C@H]1CCCO1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000296276068 295520445 /nfs/dbraw/zinc/52/04/45/295520445.db2.gz DXPUQQXPFBEYGE-CQSZACIVSA-N 1 3 319.409 0.198 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCCC[NH3+] ZINC000570161499 332719621 /nfs/dbraw/zinc/71/96/21/332719621.db2.gz YYNOGEYHJSOGNS-UHFFFAOYSA-N 1 3 317.459 0.079 20 0 DCADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000584338714 333804058 /nfs/dbraw/zinc/80/40/58/333804058.db2.gz QMGFRVOIHNCNOV-ZDUSSCGKSA-N 1 3 318.421 0.945 20 0 DCADHO C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000583018796 337225405 /nfs/dbraw/zinc/22/54/05/337225405.db2.gz BKOMDIVLWCRRHX-QWHCGFSZSA-N 1 3 308.426 0.829 20 0 DCADHO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCNC1 ZINC000583018796 337225406 /nfs/dbraw/zinc/22/54/06/337225406.db2.gz BKOMDIVLWCRRHX-QWHCGFSZSA-N 1 3 308.426 0.829 20 0 DCADHO O=C(C[C@@H]1CNCCO1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000575920585 341814652 /nfs/dbraw/zinc/81/46/52/341814652.db2.gz CQNPTENMKMTMLA-LLVKDONJSA-N 1 3 310.423 0.927 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000577486797 341912005 /nfs/dbraw/zinc/91/20/05/341912005.db2.gz RAJWELYZCICAGB-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001446439584 1159416296 /nfs/dbraw/zinc/41/62/96/1159416296.db2.gz MOEVRYMBCUQZRC-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332598445 528277401 /nfs/dbraw/zinc/27/74/01/528277401.db2.gz CISFFXOEXUAFAC-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO [NH3+]C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC1 ZINC000237888073 545958097 /nfs/dbraw/zinc/95/80/97/545958097.db2.gz KPRFHTBYDNRKCS-UHFFFAOYSA-N 1 3 308.426 0.025 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)NC1CC[NH+](C2CCCC2)CC1 ZINC000333136977 546072896 /nfs/dbraw/zinc/07/28/96/546072896.db2.gz CMXYTLURWVRJCP-HNNXBMFYSA-N 1 3 310.442 0.681 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000333633120 546086225 /nfs/dbraw/zinc/08/62/25/546086225.db2.gz WASWHSUXOHTPHR-ZOBORPQBSA-N 1 3 306.414 0.126 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000333841965 546093988 /nfs/dbraw/zinc/09/39/88/546093988.db2.gz OJZAUGXZTUUFHY-HNNXBMFYSA-N 1 3 309.458 0.161 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1C ZINC000352886965 546171890 /nfs/dbraw/zinc/17/18/90/546171890.db2.gz XYXUCKOFLWXZKC-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)N1C ZINC000352886965 546171894 /nfs/dbraw/zinc/17/18/94/546171894.db2.gz XYXUCKOFLWXZKC-CABCVRRESA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)N(C)Cc1ccccc1 ZINC000390721819 546219655 /nfs/dbraw/zinc/21/96/55/546219655.db2.gz FZJSFAAVBXBPDS-CYBMUJFWSA-N 1 3 316.409 0.487 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H]1CO ZINC000665763685 546396991 /nfs/dbraw/zinc/39/69/91/546396991.db2.gz IYXMFWZPDBTMPI-RRFJBIMHSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@@H]1CO ZINC000665763685 546396994 /nfs/dbraw/zinc/39/69/94/546396994.db2.gz IYXMFWZPDBTMPI-RRFJBIMHSA-N 1 3 314.474 0.719 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000666922811 546528321 /nfs/dbraw/zinc/52/83/21/546528321.db2.gz XXBYGSPYLOYWIQ-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000666922811 546528325 /nfs/dbraw/zinc/52/83/25/546528325.db2.gz XXBYGSPYLOYWIQ-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCC(OC)CC2)C1 ZINC000666924516 546530279 /nfs/dbraw/zinc/53/02/79/546530279.db2.gz HINSFCGKHPVXCE-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)NCCN2CCC(OC)CC2)C1 ZINC000666924516 546530285 /nfs/dbraw/zinc/53/02/85/546530285.db2.gz HINSFCGKHPVXCE-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CCN(C(=O)C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCN(CC)C1 ZINC000668374323 546747348 /nfs/dbraw/zinc/74/73/48/546747348.db2.gz YUYGYFZLFBZELL-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000668893472 546873779 /nfs/dbraw/zinc/87/37/79/546873779.db2.gz PTOKVGIJGOMCAK-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000668893472 546873780 /nfs/dbraw/zinc/87/37/80/546873780.db2.gz PTOKVGIJGOMCAK-MJBXVCDLSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000668893470 546874569 /nfs/dbraw/zinc/87/45/69/546874569.db2.gz PTOKVGIJGOMCAK-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000668893470 546874573 /nfs/dbraw/zinc/87/45/73/546874573.db2.gz PTOKVGIJGOMCAK-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000669028182 546906563 /nfs/dbraw/zinc/90/65/63/546906563.db2.gz WJZKQIVSVSEUQX-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@H+](CC)CCC)C1 ZINC000669220227 546939880 /nfs/dbraw/zinc/93/98/80/546939880.db2.gz GOTWXIYSOCJIKL-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[N@@H+](CC)CCC)C1 ZINC000669220227 546939883 /nfs/dbraw/zinc/93/98/83/546939883.db2.gz GOTWXIYSOCJIKL-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000669407323 546967348 /nfs/dbraw/zinc/96/73/48/546967348.db2.gz MOYLSNSJFWZSLZ-BARDWOONSA-N 1 3 312.458 0.864 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000669490931 546978676 /nfs/dbraw/zinc/97/86/76/546978676.db2.gz FCZJWFQPVUFONU-HOTGVXAUSA-N 1 3 321.469 0.160 20 0 DCADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000669491518 546979548 /nfs/dbraw/zinc/97/95/48/546979548.db2.gz NOQSGDLBOYELCA-KBPBESRZSA-N 1 3 312.458 0.785 20 0 DCADHO CC[C@H]1CN(C(=O)NCCN(C)CCCOC)CC[C@H]1[NH3+] ZINC000669498414 546980707 /nfs/dbraw/zinc/98/07/07/546980707.db2.gz SSFRWPJHTMXXRZ-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000669529077 546985597 /nfs/dbraw/zinc/98/55/97/546985597.db2.gz DESUTVYDEVBTOR-HOTGVXAUSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[N@@H+]1C ZINC000670435577 547088474 /nfs/dbraw/zinc/08/84/74/547088474.db2.gz CRBXYFUABPYHBS-XQLPTFJDSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC[N@H+]1C ZINC000670435577 547088479 /nfs/dbraw/zinc/08/84/79/547088479.db2.gz CRBXYFUABPYHBS-XQLPTFJDSA-N 1 3 322.453 0.280 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000670545793 547114924 /nfs/dbraw/zinc/11/49/24/547114924.db2.gz BRPLIBRHFQQXCK-CABCVRRESA-N 1 3 322.453 0.282 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000672009715 547311760 /nfs/dbraw/zinc/31/17/60/547311760.db2.gz ISVCWTBDKDTNPC-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672305885 547346224 /nfs/dbraw/zinc/34/62/24/547346224.db2.gz HXYSTFROHMGPQD-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCN3CCC3)C2)CC1 ZINC000677015266 547839759 /nfs/dbraw/zinc/83/97/59/547839759.db2.gz ZWHPPSQXOQQNTG-CQSZACIVSA-N 1 3 309.458 0.160 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCN3CCC3)C2)CC1 ZINC000677015266 547839763 /nfs/dbraw/zinc/83/97/63/547839763.db2.gz ZWHPPSQXOQQNTG-CQSZACIVSA-N 1 3 309.458 0.160 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCN3CCC3)C2)CC1 ZINC000677015266 547839766 /nfs/dbraw/zinc/83/97/66/547839766.db2.gz ZWHPPSQXOQQNTG-CQSZACIVSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@H](CS(C)(=O)=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678771897 548002773 /nfs/dbraw/zinc/00/27/73/548002773.db2.gz ROLBWJXDGGSBOV-OLZOCXBDSA-N 1 3 303.472 0.178 20 0 DCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN(CC)CCO ZINC000681115077 548205032 /nfs/dbraw/zinc/20/50/32/548205032.db2.gz LGMPVXUDUBLEDZ-AWEZNQCLSA-N 1 3 300.447 0.474 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C)C1=O ZINC000681514958 548255832 /nfs/dbraw/zinc/25/58/32/548255832.db2.gz HPCICKBUUIOQLF-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCN(C)C1=O ZINC000681514958 548255835 /nfs/dbraw/zinc/25/58/35/548255835.db2.gz HPCICKBUUIOQLF-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO COCCN1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)C1 ZINC000730732429 664803862 /nfs/dbraw/zinc/80/38/62/664803862.db2.gz BOEUWNHVECZXBF-CYBMUJFWSA-N 1 3 300.472 0.265 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037498 661093894 /nfs/dbraw/zinc/09/38/94/661093894.db2.gz ZFUDPCBDYFBZQE-GYMHETDLSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037498 661093895 /nfs/dbraw/zinc/09/38/95/661093895.db2.gz ZFUDPCBDYFBZQE-GYMHETDLSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCN(C[C@@H](C)O)CC2)C1 ZINC000981323910 661134398 /nfs/dbraw/zinc/13/43/98/661134398.db2.gz ABUFEAWMMOHNNC-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCN(C[C@@H](C)O)CC2)C1 ZINC000981323910 661134399 /nfs/dbraw/zinc/13/43/99/661134399.db2.gz ABUFEAWMMOHNNC-HZPDHXFCSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1cncn1C ZINC000939055100 665478419 /nfs/dbraw/zinc/47/84/19/665478419.db2.gz UDQPZDZRTQEPHT-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cn3)C2)C1 ZINC001023084673 657486517 /nfs/dbraw/zinc/48/65/17/657486517.db2.gz WDMYYUJKBRXLPQ-DFBGVHRSSA-N 1 3 306.385 0.909 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cn3)C2)C1 ZINC001023084673 657486521 /nfs/dbraw/zinc/48/65/21/657486521.db2.gz WDMYYUJKBRXLPQ-DFBGVHRSSA-N 1 3 306.385 0.909 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001023086542 657489509 /nfs/dbraw/zinc/48/95/09/657489509.db2.gz OOKNQQTYZJZBHI-XDQVBPFNSA-N 1 3 303.410 0.726 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001023086542 657489515 /nfs/dbraw/zinc/48/95/15/657489515.db2.gz OOKNQQTYZJZBHI-XDQVBPFNSA-N 1 3 303.410 0.726 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000891580023 657498296 /nfs/dbraw/zinc/49/82/96/657498296.db2.gz RYGFKINLWZTRGK-HNNXBMFYSA-N 1 3 311.474 0.537 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926199125 657510108 /nfs/dbraw/zinc/51/01/08/657510108.db2.gz YKWFLCDCSDQCPH-NMNMXBMNSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926199125 657510114 /nfs/dbraw/zinc/51/01/14/657510114.db2.gz YKWFLCDCSDQCPH-NMNMXBMNSA-N 1 3 311.470 0.923 20 0 DCADHO C[C@H](CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)CN1CCN(C)CC1 ZINC000891601997 657516017 /nfs/dbraw/zinc/51/60/17/657516017.db2.gz JOIJVZNXSQVFST-VYDXJSESSA-N 1 3 323.485 0.454 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1)C1CCC1 ZINC000971686262 657562978 /nfs/dbraw/zinc/56/29/78/657562978.db2.gz BLENPVGMDGWSNP-MRXNPFEDSA-N 1 3 319.453 0.900 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1)C1CCC1 ZINC000971686262 657562984 /nfs/dbraw/zinc/56/29/84/657562984.db2.gz BLENPVGMDGWSNP-MRXNPFEDSA-N 1 3 319.453 0.900 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccnn2C)C1)N(C)C ZINC000971777600 657666449 /nfs/dbraw/zinc/66/64/49/657666449.db2.gz GQVALLYDQIBYDM-HZPDHXFCSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1)N(C)C ZINC000971777600 657666455 /nfs/dbraw/zinc/66/64/55/657666455.db2.gz GQVALLYDQIBYDM-HZPDHXFCSA-N 1 3 321.469 0.836 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1)N(C)C ZINC000971779783 657668435 /nfs/dbraw/zinc/66/84/35/657668435.db2.gz SZWQRDSZDVPOQU-UONOGXRCSA-N 1 3 308.430 0.151 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1)N(C)C ZINC000971779783 657668438 /nfs/dbraw/zinc/66/84/38/657668438.db2.gz SZWQRDSZDVPOQU-UONOGXRCSA-N 1 3 308.430 0.151 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000998721108 665510401 /nfs/dbraw/zinc/51/04/01/665510401.db2.gz LMHWFIOKJWIRAW-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cn1 ZINC000970716383 657820772 /nfs/dbraw/zinc/82/07/72/657820772.db2.gz CSDDPCIIXXSNSA-OAHLLOKOSA-N 1 3 305.426 0.249 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(CCc2cnn(C)c2)C1 ZINC000970876726 658008647 /nfs/dbraw/zinc/00/86/47/658008647.db2.gz VOLZDADVHPXXEE-HIFRSBDPSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(CCc2cnn(C)c2)C1 ZINC000970876726 658008656 /nfs/dbraw/zinc/00/86/56/658008656.db2.gz VOLZDADVHPXXEE-HIFRSBDPSA-N 1 3 319.453 0.351 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969813646 658170010 /nfs/dbraw/zinc/17/00/10/658170010.db2.gz CKADYSXZPYPJAX-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H](C)C2CN(CCCO)C2)C1 ZINC000969833688 658190778 /nfs/dbraw/zinc/19/07/78/658190778.db2.gz QYIBRHPCWZGGLB-CABCVRRESA-N 1 3 311.470 0.783 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H](C)C2CN(CCCO)C2)C1 ZINC000969833688 658190782 /nfs/dbraw/zinc/19/07/82/658190782.db2.gz QYIBRHPCWZGGLB-CABCVRRESA-N 1 3 311.470 0.783 20 0 DCADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC000969845218 658199901 /nfs/dbraw/zinc/19/99/01/658199901.db2.gz WMLUYGUBPJMSCY-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000892403942 658268813 /nfs/dbraw/zinc/26/88/13/658268813.db2.gz GMGOBBJFTSASBC-DOTOQJQBSA-N 1 3 320.437 0.312 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000969949528 658285608 /nfs/dbraw/zinc/28/56/08/658285608.db2.gz UANNMTACYXNGNT-LSDHHAIUSA-N 1 3 319.453 0.637 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000892189235 658288424 /nfs/dbraw/zinc/28/84/24/658288424.db2.gz LPTYZDUHJNFHAA-CQSZACIVSA-N 1 3 310.442 0.635 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)C1 ZINC000969956168 658295089 /nfs/dbraw/zinc/29/50/89/658295089.db2.gz WKOXDIFURTXOHN-GDBMZVCRSA-N 1 3 319.453 0.495 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000892237570 658345243 /nfs/dbraw/zinc/34/52/43/658345243.db2.gz LGVFGYWJJXNIQB-RRFJBIMHSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000892237570 658345252 /nfs/dbraw/zinc/34/52/52/658345252.db2.gz LGVFGYWJJXNIQB-RRFJBIMHSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001022710807 658348455 /nfs/dbraw/zinc/34/84/55/658348455.db2.gz NUJVTJQTHFABPK-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001022710806 658348484 /nfs/dbraw/zinc/34/84/84/658348484.db2.gz NUJVTJQTHFABPK-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001022712532 658357535 /nfs/dbraw/zinc/35/75/35/658357535.db2.gz SIVJKIMBIMZJQF-KFWWJZLASA-N 1 3 322.453 0.330 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cn1 ZINC001022715961 658368168 /nfs/dbraw/zinc/36/81/68/658368168.db2.gz OUAKLLRUQHNGMS-VBNZEHGJSA-N 1 3 317.437 0.864 20 0 DCADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001022716784 658372821 /nfs/dbraw/zinc/37/28/21/658372821.db2.gz IGJMXCUFRQNQLA-SOUVJXGZSA-N 1 3 309.454 0.992 20 0 DCADHO Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022716962 658375248 /nfs/dbraw/zinc/37/52/48/658375248.db2.gz LBCYORWMRWRLAL-BETUJISGSA-N 1 3 320.441 0.284 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC000971200549 658399801 /nfs/dbraw/zinc/39/98/01/658399801.db2.gz HQCIXLQSHKECNM-HUUCEWRRSA-N 1 3 305.426 0.510 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cccn2)C1 ZINC000971200549 658399807 /nfs/dbraw/zinc/39/98/07/658399807.db2.gz HQCIXLQSHKECNM-HUUCEWRRSA-N 1 3 305.426 0.510 20 0 DCADHO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517569 665580249 /nfs/dbraw/zinc/58/02/49/665580249.db2.gz IZEHULTTWHCCLL-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517569 665580251 /nfs/dbraw/zinc/58/02/51/665580251.db2.gz IZEHULTTWHCCLL-OWCLPIDISA-N 1 3 309.454 0.897 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892431871 658468185 /nfs/dbraw/zinc/46/81/85/658468185.db2.gz YNTNMTTUSMGECP-QLFBSQMISA-N 1 3 312.458 0.567 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000970104088 658469126 /nfs/dbraw/zinc/46/91/26/658469126.db2.gz ZOBWTHHLGHQLKS-LLVKDONJSA-N 1 3 305.407 0.842 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001024264894 658548976 /nfs/dbraw/zinc/54/89/76/658548976.db2.gz WNYSTDRGBJXLEW-UONOGXRCSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001024264894 658548980 /nfs/dbraw/zinc/54/89/80/658548980.db2.gz WNYSTDRGBJXLEW-UONOGXRCSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001024264895 658549823 /nfs/dbraw/zinc/54/98/23/658549823.db2.gz WNYSTDRGBJXLEW-ZIAGYGMSSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001024264895 658549829 /nfs/dbraw/zinc/54/98/29/658549829.db2.gz WNYSTDRGBJXLEW-ZIAGYGMSSA-N 1 3 320.441 0.393 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020933584 658596482 /nfs/dbraw/zinc/59/64/82/658596482.db2.gz JXJUIQYKGRCWOK-JOCQHMNTSA-N 1 3 318.425 0.131 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC000999189863 665596023 /nfs/dbraw/zinc/59/60/23/665596023.db2.gz NWQSLQHVDPHQKX-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC000999189863 665596024 /nfs/dbraw/zinc/59/60/24/665596024.db2.gz NWQSLQHVDPHQKX-RBSFLKMASA-N 1 3 322.453 0.140 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@]23CCOC3)C1 ZINC001020981806 658650541 /nfs/dbraw/zinc/65/05/41/658650541.db2.gz NQZUCXXUDWSHDD-VMUDFCTBSA-N 1 3 318.421 0.924 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892492940 658721472 /nfs/dbraw/zinc/72/14/72/658721472.db2.gz YYLJXEXMDOZNNR-CYBMUJFWSA-N 1 3 300.447 0.378 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N1CCCCC1 ZINC001022077578 658836760 /nfs/dbraw/zinc/83/67/60/658836760.db2.gz RHFAMBQWIQQDDI-HZSPNIEDSA-N 1 3 322.453 0.376 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000970334398 658872637 /nfs/dbraw/zinc/87/26/37/658872637.db2.gz IVTINJLMHRLFMI-MRXNPFEDSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C)CC1(C[NH2+][C@H]2C(=O)NCC23CCOCC3)CCCC1 ZINC000926171082 658887315 /nfs/dbraw/zinc/88/73/15/658887315.db2.gz OMDUQIOCSJSTHW-AWEZNQCLSA-N 1 3 309.454 0.993 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000891513865 658898735 /nfs/dbraw/zinc/89/87/35/658898735.db2.gz IHDPGJNTEWLDPV-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000892333277 658932560 /nfs/dbraw/zinc/93/25/60/658932560.db2.gz ANASFJGGBRXSNI-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3cncn3C)C2)CCC1 ZINC000999350005 665634081 /nfs/dbraw/zinc/63/40/81/665634081.db2.gz VRMUTHRHIJFXSC-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1)C1CC1 ZINC000999372690 665634817 /nfs/dbraw/zinc/63/48/17/665634817.db2.gz OUJMIRROQLABFM-GOEBONIOSA-N 1 3 319.453 0.841 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC000999363057 665637016 /nfs/dbraw/zinc/63/70/16/665637016.db2.gz FLWNAGFMDAABJH-HNNXBMFYSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC000999366383 665637240 /nfs/dbraw/zinc/63/72/40/665637240.db2.gz XNPASIVWARAPJA-UKRRQHHQSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)C1 ZINC000999403547 665641270 /nfs/dbraw/zinc/64/12/70/665641270.db2.gz QVVIRFPMGBXOJT-WLYUNCDWSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000973958321 659087799 /nfs/dbraw/zinc/08/77/99/659087799.db2.gz KCIRNDXEUXJUOM-XQLPTFJDSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000973958321 659087801 /nfs/dbraw/zinc/08/78/01/659087801.db2.gz KCIRNDXEUXJUOM-XQLPTFJDSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1cnc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001027216890 659088783 /nfs/dbraw/zinc/08/87/83/659088783.db2.gz YVYWHOLTKNNXHV-HUUCEWRRSA-N 1 3 317.437 0.675 20 0 DCADHO Cc1cnc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001027216890 659088786 /nfs/dbraw/zinc/08/87/86/659088786.db2.gz YVYWHOLTKNNXHV-HUUCEWRRSA-N 1 3 317.437 0.675 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001027217148 659090172 /nfs/dbraw/zinc/09/01/72/659090172.db2.gz GBMIVKNFWAOAOI-MRXNPFEDSA-N 1 3 309.454 0.947 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999571880 665658656 /nfs/dbraw/zinc/65/86/56/665658656.db2.gz BBXOOIFVYJWOAY-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999571880 665658657 /nfs/dbraw/zinc/65/86/57/665658657.db2.gz BBXOOIFVYJWOAY-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCN(OC)C3=O)CC2)CC1 ZINC000930750127 659288086 /nfs/dbraw/zinc/28/80/86/659288086.db2.gz FVNZLDFOBKMBFJ-MRXNPFEDSA-N 1 3 324.469 0.641 20 0 DCADHO CCN1CCC([N@H+]2CCCN([C@@H]3CCN(OC)C3=O)CC2)CC1 ZINC000930750127 659288091 /nfs/dbraw/zinc/28/80/91/659288091.db2.gz FVNZLDFOBKMBFJ-MRXNPFEDSA-N 1 3 324.469 0.641 20 0 DCADHO OCc1cn(CCC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)nn1 ZINC000925669753 659423620 /nfs/dbraw/zinc/42/36/20/659423620.db2.gz XGKIXBQWTJQUIX-CVEARBPZSA-N 1 3 307.442 0.918 20 0 DCADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892791056 659455878 /nfs/dbraw/zinc/45/58/78/659455878.db2.gz JDQHDJWHLFPZRM-HNNXBMFYSA-N 1 3 306.410 0.318 20 0 DCADHO CN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[N@H+](C)C1 ZINC000892819964 659469560 /nfs/dbraw/zinc/46/95/60/659469560.db2.gz UGWJBSGPSCBOSH-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCC[N@@H+](C)C1 ZINC000892819964 659469562 /nfs/dbraw/zinc/46/95/62/659469562.db2.gz UGWJBSGPSCBOSH-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCCN(C)C1 ZINC000892819964 659469564 /nfs/dbraw/zinc/46/95/64/659469564.db2.gz UGWJBSGPSCBOSH-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCCN(C)C1 ZINC000892819964 659469566 /nfs/dbraw/zinc/46/95/66/659469566.db2.gz UGWJBSGPSCBOSH-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892817882 659470245 /nfs/dbraw/zinc/47/02/45/659470245.db2.gz HFHHGDSRXQOPAO-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000892817882 659470246 /nfs/dbraw/zinc/47/02/46/659470246.db2.gz HFHHGDSRXQOPAO-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000892819827 659472300 /nfs/dbraw/zinc/47/23/00/659472300.db2.gz SKXXKFYQLDQAHH-LVQVYYBASA-N 1 3 322.453 0.728 20 0 DCADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000892819827 659472303 /nfs/dbraw/zinc/47/23/03/659472303.db2.gz SKXXKFYQLDQAHH-LVQVYYBASA-N 1 3 322.453 0.728 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)nn1C ZINC001026732814 659489025 /nfs/dbraw/zinc/48/90/25/659489025.db2.gz FWYYAKCZVIXIEY-GOEBONIOSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026733964 659490423 /nfs/dbraw/zinc/49/04/23/659490423.db2.gz KJMJVYUTPIFRLC-ZBFHGGJFSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026733961 659490452 /nfs/dbraw/zinc/49/04/52/659490452.db2.gz KJMJVYUTPIFRLC-GOEBONIOSA-N 1 3 317.437 0.817 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001025778783 659554679 /nfs/dbraw/zinc/55/46/79/659554679.db2.gz BZEIYPRNWRKHRE-AALSBFMBSA-N 1 3 309.454 0.941 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001025778783 659554681 /nfs/dbraw/zinc/55/46/81/659554681.db2.gz BZEIYPRNWRKHRE-AALSBFMBSA-N 1 3 309.454 0.941 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799034 659565930 /nfs/dbraw/zinc/56/59/30/659565930.db2.gz QAFNAWSAEUJBDF-ZOFXXKQRSA-N 1 3 319.449 0.696 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025799034 659565935 /nfs/dbraw/zinc/56/59/35/659565935.db2.gz QAFNAWSAEUJBDF-ZOFXXKQRSA-N 1 3 319.449 0.696 20 0 DCADHO CC(C)(CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CS(N)(=O)=O ZINC000925727761 659570114 /nfs/dbraw/zinc/57/01/14/659570114.db2.gz ROHFWZHCKKYJBM-GRYCIOLGSA-N 1 3 303.472 0.667 20 0 DCADHO CC(C)(C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)CS(N)(=O)=O ZINC000925727761 659570117 /nfs/dbraw/zinc/57/01/17/659570117.db2.gz ROHFWZHCKKYJBM-GRYCIOLGSA-N 1 3 303.472 0.667 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001026884711 659623317 /nfs/dbraw/zinc/62/33/17/659623317.db2.gz BCKJOOTXBIRGHA-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2cnns2)C1)C1CCC1 ZINC001026889262 659625078 /nfs/dbraw/zinc/62/50/78/659625078.db2.gz VCIUFCSCORCSPZ-GFCCVEGCSA-N 1 3 323.466 0.961 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001026886519 659627060 /nfs/dbraw/zinc/62/70/60/659627060.db2.gz ZHAXFYOYVKEREP-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999845908 665690943 /nfs/dbraw/zinc/69/09/43/665690943.db2.gz AHXZTCOPRJQOEU-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999845908 665690946 /nfs/dbraw/zinc/69/09/46/665690946.db2.gz AHXZTCOPRJQOEU-KBPBESRZSA-N 1 3 322.453 0.282 20 0 DCADHO CCn1nncc1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999834869 665696210 /nfs/dbraw/zinc/69/62/10/665696210.db2.gz YZEDUDFJAVMHSQ-UHFFFAOYSA-N 1 3 320.441 0.473 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2nncn2C)C1 ZINC001027062761 659758439 /nfs/dbraw/zinc/75/84/39/659758439.db2.gz BGILHHXKNBMZTP-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2nncn2C)C1 ZINC001027062761 659758444 /nfs/dbraw/zinc/75/84/44/659758444.db2.gz BGILHHXKNBMZTP-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2nccn2C)C1 ZINC001027063520 659759456 /nfs/dbraw/zinc/75/94/56/659759456.db2.gz MYIVLDSPCFBDKR-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2nccn2C)C1 ZINC001027063520 659759461 /nfs/dbraw/zinc/75/94/61/659759461.db2.gz MYIVLDSPCFBDKR-GJZGRUSLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]32)C1 ZINC001026043534 659760274 /nfs/dbraw/zinc/76/02/74/659760274.db2.gz JQUMJZAXVDZSHY-YXISZKLHSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@H]32)C1 ZINC001026043534 659760277 /nfs/dbraw/zinc/76/02/77/659760277.db2.gz JQUMJZAXVDZSHY-YXISZKLHSA-N 1 3 321.465 0.801 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNCc3nccn3C)C2)C1 ZINC001027065464 659763329 /nfs/dbraw/zinc/76/33/29/659763329.db2.gz YXRYPEKKNBEHCA-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNCc3nccn3C)C2)C1 ZINC001027065464 659763333 /nfs/dbraw/zinc/76/33/33/659763333.db2.gz YXRYPEKKNBEHCA-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000999878156 665706378 /nfs/dbraw/zinc/70/63/78/665706378.db2.gz QEXOFDHABVOZSF-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000999878156 665706381 /nfs/dbraw/zinc/70/63/81/665706381.db2.gz QEXOFDHABVOZSF-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000927639645 661466782 /nfs/dbraw/zinc/46/67/82/661466782.db2.gz MUJAVMCJNHPPIK-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO CC[N@H+]1CCCN(C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000927639645 661466784 /nfs/dbraw/zinc/46/67/84/661466784.db2.gz MUJAVMCJNHPPIK-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO CCN1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927639645 661466785 /nfs/dbraw/zinc/46/67/85/661466785.db2.gz MUJAVMCJNHPPIK-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO CCN1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000927639645 661466787 /nfs/dbraw/zinc/46/67/87/661466787.db2.gz MUJAVMCJNHPPIK-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC001000194200 665770208 /nfs/dbraw/zinc/77/02/08/665770208.db2.gz VNKHACHPUVAVAN-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@H+](CCCO)C2 ZINC000982599574 661590713 /nfs/dbraw/zinc/59/07/13/661590713.db2.gz OKCXZMUUFQHYLZ-IYBDPMFKSA-N 1 3 306.410 0.505 20 0 DCADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@@H+](CCCO)C2 ZINC000982599574 661590714 /nfs/dbraw/zinc/59/07/14/661590714.db2.gz OKCXZMUUFQHYLZ-IYBDPMFKSA-N 1 3 306.410 0.505 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001000204028 665778491 /nfs/dbraw/zinc/77/84/91/665778491.db2.gz YMFWJVAZYSCSEC-CHWSQXEVSA-N 1 3 310.442 0.173 20 0 DCADHO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1[C@H]1CCN(C2CC2)C1 ZINC000924888730 661618632 /nfs/dbraw/zinc/61/86/32/661618632.db2.gz XOMHVJXCSJRTOG-UONOGXRCSA-N 1 3 306.410 0.629 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N(C)C2CCC([NH3+])CC2)CC1=O ZINC000237159699 662044317 /nfs/dbraw/zinc/04/43/17/662044317.db2.gz LOEJMHGTKZIMDM-HSBZDZAISA-N 1 3 310.442 0.125 20 0 DCADHO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC000984356245 662162541 /nfs/dbraw/zinc/16/25/41/662162541.db2.gz BWEHHVPCPOOTRY-MYPHYYIGSA-N 1 3 319.449 0.744 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC000895665642 662204772 /nfs/dbraw/zinc/20/47/72/662204772.db2.gz DUAYRYLTMQZADI-IHRRRGAJSA-N 1 3 318.437 0.373 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC000895665642 662204775 /nfs/dbraw/zinc/20/47/75/662204775.db2.gz DUAYRYLTMQZADI-IHRRRGAJSA-N 1 3 318.437 0.373 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984810877 662317398 /nfs/dbraw/zinc/31/73/98/662317398.db2.gz YUQJZSKVAAAAJB-SDADXPQNSA-N 1 3 319.453 0.602 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984810877 662317401 /nfs/dbraw/zinc/31/74/01/662317401.db2.gz YUQJZSKVAAAAJB-SDADXPQNSA-N 1 3 319.453 0.602 20 0 DCADHO COC(=O)c1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262451123 662392922 /nfs/dbraw/zinc/39/29/22/662392922.db2.gz HSRGXPFTSRTQOV-MRXNPFEDSA-N 1 3 303.406 0.953 20 0 DCADHO C[N@H+](C1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCCNC1=O ZINC000985791320 662513599 /nfs/dbraw/zinc/51/35/99/662513599.db2.gz DWYOKMASNDOPHV-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@@H+](C1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCCNC1=O ZINC000985791320 662513600 /nfs/dbraw/zinc/51/36/00/662513600.db2.gz DWYOKMASNDOPHV-HNNXBMFYSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]1[C@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354602 662583297 /nfs/dbraw/zinc/58/32/97/662583297.db2.gz KMNFGTHYEWICAA-XJKSGUPXSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064968 662640410 /nfs/dbraw/zinc/64/04/10/662640410.db2.gz HIUCCKUMYBDGCU-IUODEOHRSA-N 1 3 316.409 0.507 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)CN1CCCC1 ZINC000987520411 662685301 /nfs/dbraw/zinc/68/53/01/662685301.db2.gz RZWJHSVMXVGNCO-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729566762 662903404 /nfs/dbraw/zinc/90/34/04/662903404.db2.gz DJWBVYZUGDWTJW-BZUAXINKSA-N 1 3 324.469 0.879 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729566762 662903405 /nfs/dbraw/zinc/90/34/05/662903405.db2.gz DJWBVYZUGDWTJW-BZUAXINKSA-N 1 3 324.469 0.879 20 0 DCADHO Cc1nc(CN[C@@H]2C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000989389193 662908735 /nfs/dbraw/zinc/90/87/35/662908735.db2.gz JFXCYSZQJLDDRQ-BXUZGUMPSA-N 1 3 320.441 0.534 20 0 DCADHO C[C@H]1C[C@@H](NCc2cncn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989387989 662909177 /nfs/dbraw/zinc/90/91/77/662909177.db2.gz DBIAVDRXYNFBHM-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CCN1C ZINC000925322498 662959104 /nfs/dbraw/zinc/95/91/04/662959104.db2.gz FZHDPKGDLLTWES-UKRRQHHQSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCN1C ZINC000925322498 662959105 /nfs/dbraw/zinc/95/91/05/662959105.db2.gz FZHDPKGDLLTWES-UKRRQHHQSA-N 1 3 312.458 0.567 20 0 DCADHO C[C@@H]1C[C@H](NCc2ccnn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681519 662971982 /nfs/dbraw/zinc/97/19/82/662971982.db2.gz CWFIYXIIDVSJAE-KGLIPLIRSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CCn2cccn2)CN1C(=O)CN1CCCC1 ZINC000989796165 662979945 /nfs/dbraw/zinc/97/99/45/662979945.db2.gz ICQXHYYGMNZUKO-LSDHHAIUSA-N 1 3 305.426 0.558 20 0 DCADHO COCCN1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000707173 665919825 /nfs/dbraw/zinc/91/98/25/665919825.db2.gz DAFKYEYEFJKQLL-MRXNPFEDSA-N 1 3 307.438 0.723 20 0 DCADHO Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000990277421 663028285 /nfs/dbraw/zinc/02/82/85/663028285.db2.gz NVXVBBGUTSSSKF-OAHLLOKOSA-N 1 3 305.426 0.595 20 0 DCADHO C[NH+](C)CCCNC(=S)NC[C@H]1CCN1C1CCOCC1 ZINC000899600734 663156434 /nfs/dbraw/zinc/15/64/34/663156434.db2.gz BCRYLOYMTGCFCB-CQSZACIVSA-N 1 3 314.499 0.656 20 0 DCADHO C[C@H](C[N@H+](C)Cc1ccccc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924772612 663223109 /nfs/dbraw/zinc/22/31/09/663223109.db2.gz ZQXLBUSFNBEXCJ-HIFRSBDPSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@H](C[N@@H+](C)Cc1ccccc1)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924772612 663223110 /nfs/dbraw/zinc/22/31/10/663223110.db2.gz ZQXLBUSFNBEXCJ-HIFRSBDPSA-N 1 3 318.421 0.989 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000900216483 663226519 /nfs/dbraw/zinc/22/65/19/663226519.db2.gz NCVVVCRAXFTEGA-UONOGXRCSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000900216483 663226520 /nfs/dbraw/zinc/22/65/20/663226520.db2.gz NCVVVCRAXFTEGA-UONOGXRCSA-N 1 3 305.426 0.801 20 0 DCADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900431188 663243679 /nfs/dbraw/zinc/24/36/79/663243679.db2.gz YZSFUIDLYBTBQL-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900431188 663243680 /nfs/dbraw/zinc/24/36/80/663243680.db2.gz YZSFUIDLYBTBQL-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000900518917 663252237 /nfs/dbraw/zinc/25/22/37/663252237.db2.gz GFWGJHFKCLCWBC-CQSZACIVSA-N 1 3 305.426 0.755 20 0 DCADHO CS[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C[C@H]1N(C)C ZINC000901231127 663331914 /nfs/dbraw/zinc/33/19/14/663331914.db2.gz USPQZPVJQIAPEN-UMVBOHGHSA-N 1 3 315.483 0.337 20 0 DCADHO CS[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[C@H]1N(C)C ZINC000901231127 663331915 /nfs/dbraw/zinc/33/19/15/663331915.db2.gz USPQZPVJQIAPEN-UMVBOHGHSA-N 1 3 315.483 0.337 20 0 DCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2CC[C@@H](C(F)(F)F)O2)C1 ZINC000903423626 663454851 /nfs/dbraw/zinc/45/48/51/663454851.db2.gz ZAKWCQLWOKHVQU-UTUOFQBUSA-N 1 3 323.359 0.883 20 0 DCADHO CCOC(=O)C1=C(CN2C[C@@H](C)[C@H](CC[NH3+])C2)NC(=O)N[C@H]1C ZINC000903499248 663456939 /nfs/dbraw/zinc/45/69/39/663456939.db2.gz LGWDLBXMBIHOOM-GRYCIOLGSA-N 1 3 324.425 0.422 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NC(C)(C)C)C2 ZINC000903493111 663458249 /nfs/dbraw/zinc/45/82/49/663458249.db2.gz ULIZKNSRXQPUKX-OVZMXSCWSA-N 1 3 311.426 0.502 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903581660 663466123 /nfs/dbraw/zinc/46/61/23/663466123.db2.gz RAANFAOSUIJGSO-UWVGGRQHSA-N 1 3 317.377 0.479 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903719143 663474731 /nfs/dbraw/zinc/47/47/31/663474731.db2.gz HVHVWCXJFBXLLC-CYBMUJFWSA-N 1 3 312.458 0.228 20 0 DCADHO C[C@@H]1CN(CCN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903751377 663477343 /nfs/dbraw/zinc/47/73/43/663477343.db2.gz DPPSVDPUBHIXKV-VVLHAWIVSA-N 1 3 311.470 0.796 20 0 DCADHO O[C@@H]1CCC[C@@H]1N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903738182 663478520 /nfs/dbraw/zinc/47/85/20/663478520.db2.gz YZFDWDAGEFDCJT-TWMKSMIVSA-N 1 3 309.454 0.286 20 0 DCADHO C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000903740296 663478786 /nfs/dbraw/zinc/47/87/86/663478786.db2.gz FZXXOHOKOXGZSH-DLBZAZTESA-N 1 3 323.481 0.799 20 0 DCADHO O=C1OCCN1[C@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765037 663480633 /nfs/dbraw/zinc/48/06/33/663480633.db2.gz FGUVZNVCFGTZKD-UONOGXRCSA-N 1 3 309.410 0.672 20 0 DCADHO O=C1NC(=O)C2(CCN(Cc3cccc4c3CC[NH2+]C4)CC2)N1 ZINC000903901964 663494142 /nfs/dbraw/zinc/49/41/42/663494142.db2.gz BWWKAKAGRCJMJX-UHFFFAOYSA-N 1 3 314.389 0.506 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2CNCCC2(F)F)cnn1C ZINC000903918627 663495581 /nfs/dbraw/zinc/49/55/81/663495581.db2.gz CZSRFJFUELOSIS-DGCLKSJQSA-N 1 3 301.385 0.433 20 0 DCADHO C[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](C)N1CCOCC1 ZINC000903923623 663496115 /nfs/dbraw/zinc/49/61/15/663496115.db2.gz YRUNRGRGQGDXJW-KKUMJFAQSA-N 1 3 322.457 0.401 20 0 DCADHO COC(=O)C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1C ZINC000903986431 663500058 /nfs/dbraw/zinc/50/00/58/663500058.db2.gz JPHBYUHKUMDCFC-MGPQQGTHSA-N 1 3 311.426 0.315 20 0 DCADHO COC(=O)C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@H]1C ZINC000903986431 663500059 /nfs/dbraw/zinc/50/00/59/663500059.db2.gz JPHBYUHKUMDCFC-MGPQQGTHSA-N 1 3 311.426 0.315 20 0 DCADHO C[C@@]1(CN2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]C1 ZINC000904316381 663508190 /nfs/dbraw/zinc/50/81/90/663508190.db2.gz NJMCYUXDBAKESF-QGZVFWFLSA-N 1 3 308.470 0.616 20 0 DCADHO C[C@@]1(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CCCNC1 ZINC000904362368 663510128 /nfs/dbraw/zinc/51/01/28/663510128.db2.gz LBGYOSUSAIAKFG-OAHLLOKOSA-N 1 3 315.483 0.922 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000941305709 665971229 /nfs/dbraw/zinc/97/12/29/665971229.db2.gz SXFHBHMNCAJRCG-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)C1(O)CCCC1 ZINC000905127641 663534329 /nfs/dbraw/zinc/53/43/29/663534329.db2.gz MGCPPJRWYDATNV-GDBMZVCRSA-N 1 3 312.454 0.743 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)[NH+]1CCCCC1 ZINC001001008363 665974464 /nfs/dbraw/zinc/97/44/64/665974464.db2.gz PCGLFYCDZZLWDE-GDBMZVCRSA-N 1 3 324.469 0.563 20 0 DCADHO CC1CCN(CCC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905889566 663586958 /nfs/dbraw/zinc/58/69/58/663586958.db2.gz LYZUPTVXJSGGFH-HZPDHXFCSA-N 1 3 300.443 0.600 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000906720994 663635391 /nfs/dbraw/zinc/63/53/91/663635391.db2.gz GPRDCKILFKQYNI-UHFFFAOYSA-N 1 3 318.421 0.932 20 0 DCADHO C[C@H]1CC[C@@H](CN2CC(CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001031947232 665984296 /nfs/dbraw/zinc/98/42/96/665984296.db2.gz DQSUMOPVRCKKLP-BBRMVZONSA-N 1 3 309.454 0.944 20 0 DCADHO CN1CC[N@H+](C)CC(C(=O)NCc2ccc3cncn3c2)C1 ZINC000909874543 663813844 /nfs/dbraw/zinc/81/38/44/663813844.db2.gz GVNHZNVFUMVUDA-UHFFFAOYSA-N 1 3 301.394 0.444 20 0 DCADHO CN1CC[N@@H+](C)CC(C(=O)NCc2ccc3cncn3c2)C1 ZINC000909874543 663813846 /nfs/dbraw/zinc/81/38/46/663813846.db2.gz GVNHZNVFUMVUDA-UHFFFAOYSA-N 1 3 301.394 0.444 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911055064 663972993 /nfs/dbraw/zinc/97/29/93/663972993.db2.gz MSDTXFIOOYQBHZ-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911054214 663973048 /nfs/dbraw/zinc/97/30/48/663973048.db2.gz HFSZGQQCJNYYOG-PBHICJAKSA-N 1 3 322.453 0.332 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)C1=CCN(C)CC1 ZINC000911219478 664007259 /nfs/dbraw/zinc/00/72/59/664007259.db2.gz NWONSSARCWSHFR-YDHLFZDLSA-N 1 3 322.453 0.196 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[C@H]1C[NH3+] ZINC000911224006 664011138 /nfs/dbraw/zinc/01/11/38/664011138.db2.gz UGRYJSDREAADER-SNPRPXQTSA-N 1 3 322.453 0.030 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911257731 664017002 /nfs/dbraw/zinc/01/70/02/664017002.db2.gz KUJMFUHQZVEOIM-RQJABVFESA-N 1 3 322.453 0.232 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911336632 664032932 /nfs/dbraw/zinc/03/29/32/664032932.db2.gz OREILTSHASNNHM-CYBMUJFWSA-N 1 3 312.458 0.324 20 0 DCADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000911492520 664065060 /nfs/dbraw/zinc/06/50/60/664065060.db2.gz FVLQBDHZJCSCIE-ZNMIVQPWSA-N 1 3 322.453 0.317 20 0 DCADHO CCN(C(=O)C(=O)NCCN1CCC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000911529682 664068979 /nfs/dbraw/zinc/06/89/79/664068979.db2.gz FRPQICNXBOQNMB-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000911533691 664070710 /nfs/dbraw/zinc/07/07/10/664070710.db2.gz PTZSVFOZENHPTJ-QGZVFWFLSA-N 1 3 322.453 0.189 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NCC[C@@H]3CC[NH2+]C3)ccc2NC1=O ZINC000911768477 664106972 /nfs/dbraw/zinc/10/69/72/664106972.db2.gz PQQZGHMAVWEJHJ-FZMZJTMJSA-N 1 3 316.405 0.628 20 0 DCADHO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cccc3c2OCCNC3)CCO1 ZINC000911884475 664119436 /nfs/dbraw/zinc/11/94/36/664119436.db2.gz QIBVPSMBZPHNAM-SMDDNHRTSA-N 1 3 305.378 0.357 20 0 DCADHO C[NH+]1CCC(CC(=O)NC2CN(C(=O)CN3CCCC3)C2)CC1 ZINC000991446723 664306089 /nfs/dbraw/zinc/30/60/89/664306089.db2.gz OSEXSTFYLBVMLF-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@H]3C2)C1 ZINC000992802875 664771623 /nfs/dbraw/zinc/77/16/23/664771623.db2.gz AELLUJGPVVNSMN-JYJNAYRXSA-N 1 3 323.481 0.927 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCN1C ZINC000925409890 664787914 /nfs/dbraw/zinc/78/79/14/664787914.db2.gz XWJGDXZTGZSIPP-OAHLLOKOSA-N 1 3 311.474 0.358 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCN1C ZINC000925409890 664787915 /nfs/dbraw/zinc/78/79/15/664787915.db2.gz XWJGDXZTGZSIPP-OAHLLOKOSA-N 1 3 311.474 0.358 20 0 DCADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCN1C ZINC000925409890 664787916 /nfs/dbraw/zinc/78/79/16/664787916.db2.gz XWJGDXZTGZSIPP-OAHLLOKOSA-N 1 3 311.474 0.358 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731120483 664836394 /nfs/dbraw/zinc/83/63/94/664836394.db2.gz AJKUYCZMZJWZTJ-ARFHVFGLSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000731120483 664836397 /nfs/dbraw/zinc/83/63/97/664836397.db2.gz AJKUYCZMZJWZTJ-ARFHVFGLSA-N 1 3 322.453 0.633 20 0 DCADHO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000921406145 665300839 /nfs/dbraw/zinc/30/08/39/665300839.db2.gz CVMUGZCCIHRASF-CWRNSKLLSA-N 1 3 324.469 0.879 20 0 DCADHO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000921406145 665300841 /nfs/dbraw/zinc/30/08/41/665300841.db2.gz CVMUGZCCIHRASF-CWRNSKLLSA-N 1 3 324.469 0.879 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031715384 665323323 /nfs/dbraw/zinc/32/33/23/665323323.db2.gz SXCKZRUOTSRDCP-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](C[C@@H](C)O)CC1 ZINC001001473115 666056822 /nfs/dbraw/zinc/05/68/22/666056822.db2.gz WTKGEMIRQYNXCM-GDBMZVCRSA-N 1 3 309.454 0.990 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](C[C@@H](C)O)CC1 ZINC001001473115 666056823 /nfs/dbraw/zinc/05/68/23/666056823.db2.gz WTKGEMIRQYNXCM-GDBMZVCRSA-N 1 3 309.454 0.990 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001001979787 666119600 /nfs/dbraw/zinc/11/96/00/666119600.db2.gz VALLJMDZKVANRW-CABCVRRESA-N 1 3 324.469 0.099 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001001979787 666119602 /nfs/dbraw/zinc/11/96/02/666119602.db2.gz VALLJMDZKVANRW-CABCVRRESA-N 1 3 324.469 0.099 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001002919127 666245092 /nfs/dbraw/zinc/24/50/92/666245092.db2.gz QPUUBRVACTUOGA-OAHLLOKOSA-N 1 3 324.469 0.243 20 0 DCADHO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000922158560 666272852 /nfs/dbraw/zinc/27/28/52/666272852.db2.gz JMLBGOIGCJDELD-CQSZACIVSA-N 1 3 317.437 0.657 20 0 DCADHO CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000922158560 666272854 /nfs/dbraw/zinc/27/28/54/666272854.db2.gz JMLBGOIGCJDELD-CQSZACIVSA-N 1 3 317.437 0.657 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)NC2CCN(CCO)CC2)cc1 ZINC001003630314 666337405 /nfs/dbraw/zinc/33/74/05/666337405.db2.gz LANWOOMFJPTKMX-UHFFFAOYSA-N 1 3 319.449 0.977 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004583167 666566469 /nfs/dbraw/zinc/56/64/69/666566469.db2.gz WUACGZUOJIIMHC-HNNXBMFYSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004583167 666566471 /nfs/dbraw/zinc/56/64/71/666566471.db2.gz WUACGZUOJIIMHC-HNNXBMFYSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779129 666651182 /nfs/dbraw/zinc/65/11/82/666651182.db2.gz HAZMMWLFNOCKLG-TWMKSMIVSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779129 666651184 /nfs/dbraw/zinc/65/11/84/666651184.db2.gz HAZMMWLFNOCKLG-TWMKSMIVSA-N 1 3 323.481 0.879 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946784333 666656426 /nfs/dbraw/zinc/65/64/26/666656426.db2.gz GULMIUPQYCIYEX-KBXIAJHMSA-N 1 3 324.469 0.371 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946784333 666656428 /nfs/dbraw/zinc/65/64/28/666656428.db2.gz GULMIUPQYCIYEX-KBXIAJHMSA-N 1 3 324.469 0.371 20 0 DCADHO C[NH+](C)[C@@H](C(=O)N1CCC(NCc2cnns2)CC1)C1CC1 ZINC000996681314 666859371 /nfs/dbraw/zinc/85/93/71/666859371.db2.gz ZFJNNDXEEYEDTG-CQSZACIVSA-N 1 3 323.466 0.959 20 0 DCADHO C[NH2+]CCOCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000861643596 666953063 /nfs/dbraw/zinc/95/30/63/666953063.db2.gz IDMRNJIJJFJBOJ-OAHLLOKOSA-N 1 3 306.410 0.409 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000996993224 667059820 /nfs/dbraw/zinc/05/98/20/667059820.db2.gz BVRGMJFZMSJMMS-HIFRSBDPSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996997851 667063395 /nfs/dbraw/zinc/06/33/95/667063395.db2.gz HXGGAIQUNWTQQD-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC000997001564 667066441 /nfs/dbraw/zinc/06/64/41/667066441.db2.gz VDKJLWQGCPZRKJ-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1)N(C)C ZINC000997009246 667073154 /nfs/dbraw/zinc/07/31/54/667073154.db2.gz IWBYYDAOMQBTRM-HNNXBMFYSA-N 1 3 322.457 0.719 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnn(C)c2)CCC1 ZINC001034957219 667198113 /nfs/dbraw/zinc/19/81/13/667198113.db2.gz NVADPFJSGPVOMF-OAHLLOKOSA-N 1 3 319.453 0.985 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997187963 667213606 /nfs/dbraw/zinc/21/36/06/667213606.db2.gz YAOVGLGXBYEXPI-LBPRGKRZSA-N 1 3 323.466 0.961 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997187963 667213610 /nfs/dbraw/zinc/21/36/10/667213610.db2.gz YAOVGLGXBYEXPI-LBPRGKRZSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC(N)=O ZINC001036196812 667429457 /nfs/dbraw/zinc/42/94/57/667429457.db2.gz WAVVJTIEJMRTBC-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001036203966 667429778 /nfs/dbraw/zinc/42/97/78/667429778.db2.gz IRSLIZOIZVCVKI-JSGCOSHPSA-N 1 3 317.397 0.071 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccnn1C ZINC001036206268 667429919 /nfs/dbraw/zinc/42/99/19/667429919.db2.gz QGJDSVNIBASRLT-SWLSCSKDSA-N 1 3 316.409 0.713 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C2)CC1 ZINC001036222651 667432681 /nfs/dbraw/zinc/43/26/81/667432681.db2.gz BMVUTVAPHAKZDG-KBPBESRZSA-N 1 3 310.442 0.030 20 0 DCADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867741858 667494222 /nfs/dbraw/zinc/49/42/22/667494222.db2.gz RTCSYDZVSAPPQL-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000867741858 667494221 /nfs/dbraw/zinc/49/42/21/667494221.db2.gz RTCSYDZVSAPPQL-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO Cc1ccccc1OC[C@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000923285573 667495078 /nfs/dbraw/zinc/49/50/78/667495078.db2.gz HUGCUDCZGQRHCG-MRXNPFEDSA-N 1 3 307.438 0.572 20 0 DCADHO Cc1cccc(C)c1OC[C@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000923286604 667496219 /nfs/dbraw/zinc/49/62/19/667496219.db2.gz PJLXBYSKMSBDQB-QGZVFWFLSA-N 1 3 321.465 0.880 20 0 DCADHO O=C1C[C@@H](c2ccccc2)N(C[C@@H]2CC3(C[NH2+]C3)CO2)CCN1 ZINC000923306144 667502286 /nfs/dbraw/zinc/50/22/86/667502286.db2.gz HKIVWHYUGUMDML-HOTGVXAUSA-N 1 3 315.417 0.928 20 0 DCADHO O=C1C[C@H](c2ccccc2)N(C[C@@H]2CC3(C[NH2+]C3)CO2)CCN1 ZINC000923306148 667502422 /nfs/dbraw/zinc/50/24/22/667502422.db2.gz HKIVWHYUGUMDML-JKSUJKDBSA-N 1 3 315.417 0.928 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CCOC)[C@@H](C)C1 ZINC000884221304 667502797 /nfs/dbraw/zinc/50/27/97/667502797.db2.gz OSUZGVPHHTXSNH-KKUMJFAQSA-N 1 3 315.458 0.603 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CCOC)[C@@H](C)C1 ZINC000884221304 667502798 /nfs/dbraw/zinc/50/27/98/667502798.db2.gz OSUZGVPHHTXSNH-KKUMJFAQSA-N 1 3 315.458 0.603 20 0 DCADHO CCN1C(=O)[C@@H]2CN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN2C1=O ZINC000923315689 667503058 /nfs/dbraw/zinc/50/30/58/667503058.db2.gz XZDXKVULFZNPBZ-DKUMPPAJSA-N 1 3 320.437 0.875 20 0 DCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(C(=O)NC3CCCCC3)CC2)C1 ZINC000923308947 667504503 /nfs/dbraw/zinc/50/45/03/667504503.db2.gz KLJDUTJMCDTNFJ-BPUTZDHNSA-N 1 3 309.454 0.998 20 0 DCADHO COC(=O)[C@@H](NC(CN)C[NH3+])c1ccccc1C(F)(F)F ZINC000923359473 667518723 /nfs/dbraw/zinc/51/87/23/667518723.db2.gz QQFKPZLMHBYFIG-NSHDSACASA-N 1 3 305.300 0.795 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC000923411932 667529366 /nfs/dbraw/zinc/52/93/66/667529366.db2.gz TXOHCWHZNDLCHR-HZPDHXFCSA-N 1 3 301.394 0.587 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC000923411932 667529368 /nfs/dbraw/zinc/52/93/68/667529368.db2.gz TXOHCWHZNDLCHR-HZPDHXFCSA-N 1 3 301.394 0.587 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000884623389 667578083 /nfs/dbraw/zinc/57/80/83/667578083.db2.gz BHKWBCYCCMMDCU-CYBMUJFWSA-N 1 3 322.453 0.483 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884787651 667607479 /nfs/dbraw/zinc/60/74/79/667607479.db2.gz YKEPQCDDOHLCRQ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2nccn2c1 ZINC000869236729 667640596 /nfs/dbraw/zinc/64/05/96/667640596.db2.gz HZYPPVJWPXXOOI-ZDUSSCGKSA-N 1 3 318.425 0.731 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2nccn2c1 ZINC000869236729 667640599 /nfs/dbraw/zinc/64/05/99/667640599.db2.gz HZYPPVJWPXXOOI-ZDUSSCGKSA-N 1 3 318.425 0.731 20 0 DCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000870991034 667782315 /nfs/dbraw/zinc/78/23/15/667782315.db2.gz CWQAHNHJWHVNBH-INIZCTEOSA-N 1 3 305.426 0.893 20 0 DCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCCC(=O)NC(N)=O ZINC000887133064 667852705 /nfs/dbraw/zinc/85/27/05/667852705.db2.gz SKIOAGGMZUFRRC-GFCCVEGCSA-N 1 3 305.382 0.567 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H](NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000873216167 668065686 /nfs/dbraw/zinc/06/56/86/668065686.db2.gz JHWRCMAAXVQHMT-GXTWGEPZSA-N 1 3 300.410 0.814 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NCc1cccc(-n2cc(CN)nn2)c1 ZINC000873242387 668068080 /nfs/dbraw/zinc/06/80/80/668068080.db2.gz BAYULGGNXQHNEF-MLGOLLRUSA-N 1 3 300.410 0.814 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C12CCC[NH+](CCC1)C2 ZINC000874253573 668162661 /nfs/dbraw/zinc/16/26/61/668162661.db2.gz SBQGICMJWKBKBQ-LSDHHAIUSA-N 1 3 307.438 0.842 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCN1C ZINC000925327065 668296675 /nfs/dbraw/zinc/29/66/75/668296675.db2.gz FCLWPHLKIOUTLR-OWCLPIDISA-N 1 3 323.485 0.500 20 0 DCADHO C[C@@H]1[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCN1C ZINC000925327065 668296676 /nfs/dbraw/zinc/29/66/76/668296676.db2.gz FCLWPHLKIOUTLR-OWCLPIDISA-N 1 3 323.485 0.500 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000875460587 668325315 /nfs/dbraw/zinc/32/53/15/668325315.db2.gz YZAXLGUFIKDNBP-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000875460587 668325318 /nfs/dbraw/zinc/32/53/18/668325318.db2.gz YZAXLGUFIKDNBP-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000925602918 668334532 /nfs/dbraw/zinc/33/45/32/668334532.db2.gz XZOOMVUIYQNUEO-JHJVBQTASA-N 1 3 303.472 0.906 20 0 DCADHO CC(C)(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1COCC12OCCO2 ZINC000925685284 668340529 /nfs/dbraw/zinc/34/05/29/668340529.db2.gz HGPAHVUCMFTLNV-VNAATALASA-N 1 3 322.449 0.988 20 0 DCADHO NCc1cn(-c2cccc(CN[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)c2)nn1 ZINC000925721811 668342949 /nfs/dbraw/zinc/34/29/49/668342949.db2.gz GQRHSZAMZYMAFD-WIHIRCLASA-N 1 3 324.432 0.812 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926167598 668382503 /nfs/dbraw/zinc/38/25/03/668382503.db2.gz DLODIUTXHBFZFR-SRABZTEZSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926167598 668382505 /nfs/dbraw/zinc/38/25/05/668382505.db2.gz DLODIUTXHBFZFR-SRABZTEZSA-N 1 3 311.470 0.924 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927635526 668489162 /nfs/dbraw/zinc/48/91/62/668489162.db2.gz HCVOQKNZEVTINH-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927635526 668489166 /nfs/dbraw/zinc/48/91/66/668489166.db2.gz HCVOQKNZEVTINH-HOTGVXAUSA-N 1 3 324.469 0.975 20 0 DCADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCCC1 ZINC000876713444 668493410 /nfs/dbraw/zinc/49/34/10/668493410.db2.gz PQEOGJOTCPTELO-AWEZNQCLSA-N 1 3 305.426 0.942 20 0 DCADHO C[C@H]1CN(CCCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@H](C)O1 ZINC000876731478 668498133 /nfs/dbraw/zinc/49/81/33/668498133.db2.gz RGPGNGABRYNPFY-CYDGBPFRSA-N 1 3 319.396 0.832 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876966262 668544080 /nfs/dbraw/zinc/54/40/80/668544080.db2.gz SKHMAAOFEBRUNX-NPQIQWPPSA-N 1 3 310.442 0.021 20 0 DCADHO C[C@@H]([NH2+]C1CC1)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877205995 668576179 /nfs/dbraw/zinc/57/61/79/668576179.db2.gz CCFTYYLNHZOQHT-LLVKDONJSA-N 1 3 314.393 0.483 20 0 DCADHO C[NH+]1CCC(OCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000931184253 669151636 /nfs/dbraw/zinc/15/16/36/669151636.db2.gz AHFYRVXNNQLPDI-HIFRSBDPSA-N 1 3 311.426 0.077 20 0 DCADHO COCCOCCOCCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733542 669528637 /nfs/dbraw/zinc/52/86/37/669528637.db2.gz LOUMVOOEHFTGFK-JKSUJKDBSA-N 1 3 300.443 0.940 20 0 DCADHO COCCOCCOCCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733542 669528643 /nfs/dbraw/zinc/52/86/43/669528643.db2.gz LOUMVOOEHFTGFK-JKSUJKDBSA-N 1 3 300.443 0.940 20 0 DCADHO CN(CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC000950079956 669928873 /nfs/dbraw/zinc/92/88/73/669928873.db2.gz CFTWUADUWABJLH-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000950079956 669928876 /nfs/dbraw/zinc/92/88/76/669928876.db2.gz CFTWUADUWABJLH-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CON(C)C(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000799149665 670045098 /nfs/dbraw/zinc/04/50/98/670045098.db2.gz YMHWEDUZEYZREW-GJZGRUSLSA-N 1 3 312.458 0.354 20 0 DCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc2ncccn2n1 ZINC000849042736 670754365 /nfs/dbraw/zinc/75/43/65/670754365.db2.gz YZWQRIYRNIHUDK-NSHDSACASA-N 1 3 302.386 0.223 20 0 DCADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCC[NH+](C)C)cn1 ZINC000849482560 670810939 /nfs/dbraw/zinc/81/09/39/670810939.db2.gz RQVWFIIASCLNFI-GJZGRUSLSA-N 1 3 307.442 0.523 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[C@H]1F ZINC000851667237 671008413 /nfs/dbraw/zinc/00/84/13/671008413.db2.gz MHHILTCOMONFPE-RBSFLKMASA-N 1 3 306.385 0.954 20 0 DCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819004233 671084731 /nfs/dbraw/zinc/08/47/31/671084731.db2.gz LKVQLPOTYKFEBM-HOTGVXAUSA-N 1 3 305.422 0.897 20 0 DCADHO CO[C@@H]1CCC[C@H]([C@@H](CO)NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000852350660 671121175 /nfs/dbraw/zinc/12/11/75/671121175.db2.gz VSCXPIBTXLAOKN-CAOSSQGBSA-N 1 3 300.443 0.599 20 0 DCADHO CO[C@@H]1CCC[C@H]([C@H](CO)NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000852350663 671121307 /nfs/dbraw/zinc/12/13/07/671121307.db2.gz VSCXPIBTXLAOKN-JONQDZQNSA-N 1 3 300.443 0.599 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C1CC1 ZINC000820073598 671162096 /nfs/dbraw/zinc/16/20/96/671162096.db2.gz BLBSIGLZKOSRPF-GXTWGEPZSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C1CC1 ZINC000820073598 671162098 /nfs/dbraw/zinc/16/20/98/671162098.db2.gz BLBSIGLZKOSRPF-GXTWGEPZSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C2=NO[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000852861463 671177425 /nfs/dbraw/zinc/17/74/25/671177425.db2.gz VYAMXLNJCLUXIT-UPJWGTAASA-N 1 3 312.414 0.096 20 0 DCADHO CN(C)CCn1nccc1NC(=O)COC1CC[NH+](C)CC1 ZINC000820714460 671221556 /nfs/dbraw/zinc/22/15/56/671221556.db2.gz AQRVTTYUGGIOSD-UHFFFAOYSA-N 1 3 309.414 0.494 20 0 DCADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000827936287 671540201 /nfs/dbraw/zinc/54/02/01/671540201.db2.gz IMOHRPONRAOFNS-XHSDSOJGSA-N 1 3 321.396 0.847 20 0 DCADHO C[C@@H]1CCCN1CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000831971266 671694478 /nfs/dbraw/zinc/69/44/78/671694478.db2.gz UQSCIIBBZIOISB-GFCCVEGCSA-N 1 3 306.414 0.417 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841789114 671955618 /nfs/dbraw/zinc/95/56/18/671955618.db2.gz MIVUZPLOTUNLLL-ZMSDIMECSA-N 1 3 322.453 0.635 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000842015840 671974544 /nfs/dbraw/zinc/97/45/44/671974544.db2.gz OPHWLTRLSHKUNB-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000842016473 671975098 /nfs/dbraw/zinc/97/50/98/671975098.db2.gz WDMCNSNKWAIXDR-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000842016500 671975366 /nfs/dbraw/zinc/97/53/66/671975366.db2.gz WKTZBQADVDYBHZ-IHRRRGAJSA-N 1 3 310.442 0.173 20 0 DCADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000843490598 672104114 /nfs/dbraw/zinc/10/41/14/672104114.db2.gz KSZNDISOUNEANS-RISCZKNCSA-N 1 3 303.410 0.612 20 0 DCADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000843490598 672104115 /nfs/dbraw/zinc/10/41/15/672104115.db2.gz KSZNDISOUNEANS-RISCZKNCSA-N 1 3 303.410 0.612 20 0 DCADHO CCN1CCN(CCC(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000844163858 672154707 /nfs/dbraw/zinc/15/47/07/672154707.db2.gz KUCWTOLXQAOFSJ-UHFFFAOYSA-N 1 3 320.437 0.990 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001024263436 693806022 /nfs/dbraw/zinc/80/60/22/693806022.db2.gz FEPZKDPNBZUJGH-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001024263436 693806025 /nfs/dbraw/zinc/80/60/25/693806025.db2.gz FEPZKDPNBZUJGH-KBPBESRZSA-N 1 3 320.441 0.095 20 0 DCADHO CC(C)(C(=O)NC1CCC([NH2+]CC(N)=O)CC1)N1CCCCC1 ZINC001026493709 693871120 /nfs/dbraw/zinc/87/11/20/693871120.db2.gz LASXFYOZHKLPKO-UHFFFAOYSA-N 1 3 324.469 0.753 20 0 DCADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCO ZINC001037935923 693970312 /nfs/dbraw/zinc/97/03/12/693970312.db2.gz SXXHWYQXZJRJNI-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954836380 686155001 /nfs/dbraw/zinc/15/50/01/686155001.db2.gz HZDGAZDXIAJCLG-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954836380 686155007 /nfs/dbraw/zinc/15/50/07/686155007.db2.gz HZDGAZDXIAJCLG-ZFWWWQNUSA-N 1 3 322.453 0.092 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964436970 689243513 /nfs/dbraw/zinc/24/35/13/689243513.db2.gz IILSCYXQOUIQJR-NRXISQOPSA-N 1 3 324.469 0.705 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000966001545 689605805 /nfs/dbraw/zinc/60/58/05/689605805.db2.gz NFBLRHFTMUVRDG-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000966001545 689605808 /nfs/dbraw/zinc/60/58/08/689605808.db2.gz NFBLRHFTMUVRDG-KFWWJZLASA-N 1 3 324.469 0.386 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000968702549 690371972 /nfs/dbraw/zinc/37/19/72/690371972.db2.gz IMOSWNPMUJEDJU-HZPDHXFCSA-N 1 3 317.437 0.452 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCc2cnn(CC)c2)C1)N(C)C ZINC000969074873 690463609 /nfs/dbraw/zinc/46/36/09/690463609.db2.gz XODNLPJRVFKPMD-HZPDHXFCSA-N 1 3 321.469 0.976 20 0 DCADHO C[C@H](O)CN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008830478 690931964 /nfs/dbraw/zinc/93/19/64/690931964.db2.gz XXSWPPCLDYHVKW-DZGCQCFKSA-N 1 3 323.441 0.020 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CCCO)CC2 ZINC001016830832 692781684 /nfs/dbraw/zinc/78/16/84/692781684.db2.gz WOQDLKJWNMXCOL-GJZGRUSLSA-N 1 3 309.454 0.824 20 0 DCADHO Cn1cc(CC[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001018634612 693170664 /nfs/dbraw/zinc/17/06/64/693170664.db2.gz LTRSXQXHAIVAJG-LSDHHAIUSA-N 1 3 305.426 0.247 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n[nH]1 ZINC001018866978 693268681 /nfs/dbraw/zinc/26/86/81/693268681.db2.gz FCQAKVKBCCZOJR-KGYLQXTDSA-N 1 3 306.414 0.144 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n[nH]1 ZINC001018866978 693268684 /nfs/dbraw/zinc/26/86/84/693268684.db2.gz FCQAKVKBCCZOJR-KGYLQXTDSA-N 1 3 306.414 0.144 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001072676637 694651072 /nfs/dbraw/zinc/65/10/72/694651072.db2.gz DUTAENBHQJAEAA-FZMZJTMJSA-N 1 3 321.425 0.175 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983422 694691281 /nfs/dbraw/zinc/69/12/81/694691281.db2.gz VZXVZBDIRCLYNR-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO CO[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001072983422 694691284 /nfs/dbraw/zinc/69/12/84/694691284.db2.gz VZXVZBDIRCLYNR-CABCVRRESA-N 1 3 309.454 0.897 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC001073016454 694694969 /nfs/dbraw/zinc/69/49/69/694694969.db2.gz ZJGFDHJDSBIIKI-ZDUSSCGKSA-N 1 3 304.394 0.523 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC001073016454 694694970 /nfs/dbraw/zinc/69/49/70/694694970.db2.gz ZJGFDHJDSBIIKI-ZDUSSCGKSA-N 1 3 304.394 0.523 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CN(CCCF)CCCO2)CC1 ZINC001073756064 694777833 /nfs/dbraw/zinc/77/78/33/694777833.db2.gz RLBOGWVJQGFEHQ-HNNXBMFYSA-N 1 3 315.433 0.895 20 0 DCADHO Cc1ncc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)cn1 ZINC001074565102 694908418 /nfs/dbraw/zinc/90/84/18/694908418.db2.gz SYCMJZXKWRLGAN-RCBQFDQVSA-N 1 3 317.437 0.958 20 0 DCADHO CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001074755824 694920643 /nfs/dbraw/zinc/92/06/43/694920643.db2.gz ZOGWUIKTTLZDLT-MLURZJSDSA-N 1 3 307.438 0.837 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3cnnn3C)[C@@H]2C)C1 ZINC001074878478 694928020 /nfs/dbraw/zinc/92/80/20/694928020.db2.gz ZATBBJOPFHNNHG-YDHLFZDLSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3cnnn3C)[C@@H]2C)C1 ZINC001074878478 694928021 /nfs/dbraw/zinc/92/80/21/694928021.db2.gz ZATBBJOPFHNNHG-YDHLFZDLSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106620 694938224 /nfs/dbraw/zinc/93/82/24/694938224.db2.gz FOQCCBKPATZPER-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106620 694938225 /nfs/dbraw/zinc/93/82/25/694938225.db2.gz FOQCCBKPATZPER-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075785080 694976361 /nfs/dbraw/zinc/97/63/61/694976361.db2.gz QSKNKMXDKKAYRM-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075785080 694976362 /nfs/dbraw/zinc/97/63/62/694976362.db2.gz QSKNKMXDKKAYRM-HRCADAONSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001076596792 695031408 /nfs/dbraw/zinc/03/14/08/695031408.db2.gz QKKVQXHAYQNAGW-BBRMVZONSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001571462897 1162768697 /nfs/dbraw/zinc/76/86/97/1162768697.db2.gz LVBQKWSQIZQNJJ-BXUZGUMPSA-N 1 3 319.409 0.057 20 0 DCADHO CCO[C@@H](CNC(=O)[C@@]1(COC)CCCCN1)C[NH+](C)C ZINC001650393827 1157432480 /nfs/dbraw/zinc/43/24/80/1157432480.db2.gz FOOHNTHMHJBUCF-ZFWWWQNUSA-N 1 3 301.431 0.228 20 0 DCADHO COCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001671332982 1157448818 /nfs/dbraw/zinc/44/88/18/1157448818.db2.gz NKSVSUNDNWKKBD-LSDHHAIUSA-N 1 3 313.442 0.324 20 0 DCADHO C([C@@H]1CCOC1)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC001772534907 1157524322 /nfs/dbraw/zinc/52/43/22/1157524322.db2.gz LJNFIJOSNCRTBS-ULQDDVLXSA-N 1 3 309.454 0.409 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](O)CNCCF)C1 ZINC001725709947 1157760438 /nfs/dbraw/zinc/76/04/38/1157760438.db2.gz YTSCCGZLUZZPCG-KBPBESRZSA-N 1 3 303.422 0.487 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](O)CNCCF)C1 ZINC001725709947 1157760447 /nfs/dbraw/zinc/76/04/47/1157760447.db2.gz YTSCCGZLUZZPCG-KBPBESRZSA-N 1 3 303.422 0.487 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001648970896 1158210522 /nfs/dbraw/zinc/21/05/22/1158210522.db2.gz XNBAXBPVRIFMSA-AWEZNQCLSA-N 1 3 318.421 0.969 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 ZINC001648970896 1158210528 /nfs/dbraw/zinc/21/05/28/1158210528.db2.gz XNBAXBPVRIFMSA-AWEZNQCLSA-N 1 3 318.421 0.969 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001648970897 1158210684 /nfs/dbraw/zinc/21/06/84/1158210684.db2.gz XNBAXBPVRIFMSA-CQSZACIVSA-N 1 3 318.421 0.969 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC001648970897 1158210688 /nfs/dbraw/zinc/21/06/88/1158210688.db2.gz XNBAXBPVRIFMSA-CQSZACIVSA-N 1 3 318.421 0.969 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001752815253 1158251658 /nfs/dbraw/zinc/25/16/58/1158251658.db2.gz OIVPILLZFFUNFE-OAHLLOKOSA-N 1 3 322.457 0.447 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)CC[NH2+]1 ZINC001648981264 1158267172 /nfs/dbraw/zinc/26/71/72/1158267172.db2.gz NYXKYJVSEIQJMN-HONMWMINSA-N 1 3 316.405 0.769 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCc1cnn(C)c1 ZINC001691619125 1158360028 /nfs/dbraw/zinc/36/00/28/1158360028.db2.gz CMTWPIPSIPGMCX-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001752923237 1158479385 /nfs/dbraw/zinc/47/93/85/1158479385.db2.gz ABYQKJHITKEPGH-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001649078760 1158633476 /nfs/dbraw/zinc/63/34/76/1158633476.db2.gz NGFWPHQOEGVJNF-IHRRRGAJSA-N 1 3 317.437 0.702 20 0 DCADHO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CNC[C@@H]2CCCO2)C1 ZINC001649102298 1158641345 /nfs/dbraw/zinc/64/13/45/1158641345.db2.gz BNGZWCBZVZAHDO-XYJFISCASA-N 1 3 317.433 0.930 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001445956420 1159325064 /nfs/dbraw/zinc/32/50/64/1159325064.db2.gz FCAQQCZNWRONPG-AWEZNQCLSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)n[nH]1 ZINC001445971901 1159326685 /nfs/dbraw/zinc/32/66/85/1159326685.db2.gz UEBXTIJIVCLMLE-GXFFZTMASA-N 1 3 308.430 0.610 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CCn2cncn2)C1 ZINC001566491415 1160014101 /nfs/dbraw/zinc/01/41/01/1160014101.db2.gz WNLHYYYPGYPJIZ-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CCn2cncn2)C1 ZINC001566491415 1160014108 /nfs/dbraw/zinc/01/41/08/1160014108.db2.gz WNLHYYYPGYPJIZ-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(=O)N(C)C ZINC001566572801 1160072639 /nfs/dbraw/zinc/07/26/39/1160072639.db2.gz GDJLKRMDHQDWLA-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO COCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001567054017 1160224421 /nfs/dbraw/zinc/22/44/21/1160224421.db2.gz ISJALFALWAIQIC-DOMZBBRYSA-N 1 3 303.422 0.940 20 0 DCADHO C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1CNCC(N)=O ZINC001568430981 1160646314 /nfs/dbraw/zinc/64/63/14/1160646314.db2.gz CMFUYJWNSKIDOK-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)CC[NH+]1CCCCC1 ZINC001568800282 1160777677 /nfs/dbraw/zinc/77/76/77/1160777677.db2.gz GNWBRUXTMFLPCE-UHFFFAOYSA-N 1 3 324.469 0.533 20 0 DCADHO CCN(CC[NH2+]Cc1ccn(C)c(=O)c1)C(=O)CN(C)C(C)C ZINC001568800170 1160778288 /nfs/dbraw/zinc/77/82/88/1160778288.db2.gz BYVUJZXGEQYDPU-UHFFFAOYSA-N 1 3 322.453 0.664 20 0 DCADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCN1CCCC1=O ZINC001568826354 1160792309 /nfs/dbraw/zinc/79/23/09/1160792309.db2.gz AKYWNIIGPMEOCF-FAAWYNLUSA-N 1 3 322.453 0.355 20 0 DCADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568928735 1160873181 /nfs/dbraw/zinc/87/31/81/1160873181.db2.gz RFPZITITPGAYFU-NHQLZKDQSA-N 1 3 324.469 0.647 20 0 DCADHO CC[C@@H]([NH2+]C/C=C/CNC(=O)CN1CCC(C)CC1)C(N)=O ZINC001568938579 1160882315 /nfs/dbraw/zinc/88/23/15/1160882315.db2.gz BISHKVQAFLCQOJ-ISZGNANSSA-N 1 3 310.442 0.244 20 0 DCADHO CCOCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CCO1 ZINC001570152983 1161452604 /nfs/dbraw/zinc/45/26/04/1161452604.db2.gz BLABGVFFUPENCQ-HUUCEWRRSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCNC(=O)C2CC2)[C@@H](C)C1 ZINC001570363441 1161582355 /nfs/dbraw/zinc/58/23/55/1161582355.db2.gz BLFPPBKMNOWAPN-ZFWWWQNUSA-N 1 3 324.469 0.289 20 0 DCADHO COc1ccc(C[C@@](C)(CO)[NH2+]C[C@]2(O)CCCNC2)cc1 ZINC001574031201 1163626915 /nfs/dbraw/zinc/62/69/15/1163626915.db2.gz TUZGTAQRHHCVBI-IRXDYDNUSA-N 1 3 308.422 0.693 20 0 DCADHO COc1ccc(C[C@](C)(CO)[NH2+]C[C@@]2(O)CCCNC2)cc1 ZINC001574031200 1163627328 /nfs/dbraw/zinc/62/73/28/1163627328.db2.gz TUZGTAQRHHCVBI-IAGOWNOFSA-N 1 3 308.422 0.693 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001574283855 1163682018 /nfs/dbraw/zinc/68/20/18/1163682018.db2.gz AUBGEUKUHKPFBN-CVEARBPZSA-N 1 3 305.422 0.519 20 0 DCADHO CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cn[nH]n1 ZINC001575337652 1163981866 /nfs/dbraw/zinc/98/18/66/1163981866.db2.gz CSDJZIWMKDFFRV-ZDUSSCGKSA-N 1 3 306.414 0.131 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1c[nH]nn1 ZINC001575420500 1164009054 /nfs/dbraw/zinc/00/90/54/1164009054.db2.gz LNKNOTUECMXCKK-AWEZNQCLSA-N 1 3 308.430 0.616 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1c[nH]nn1 ZINC001575420500 1164009059 /nfs/dbraw/zinc/00/90/59/1164009059.db2.gz LNKNOTUECMXCKK-AWEZNQCLSA-N 1 3 308.430 0.616 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1CCCCN1C)[NH2+]CCc1cn[nH]n1 ZINC001575531084 1164049596 /nfs/dbraw/zinc/04/95/96/1164049596.db2.gz FZHICTGGBZLBIT-JSGCOSHPSA-N 1 3 308.430 0.316 20 0 DCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC001575681684 1164102678 /nfs/dbraw/zinc/10/26/78/1164102678.db2.gz IBFUPSFHUZIYSG-LSDHHAIUSA-N 1 3 310.446 0.075 20 0 DCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC001575681684 1164102683 /nfs/dbraw/zinc/10/26/83/1164102683.db2.gz IBFUPSFHUZIYSG-LSDHHAIUSA-N 1 3 310.446 0.075 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)CN1CCN(C)CC1 ZINC001576017150 1164213379 /nfs/dbraw/zinc/21/33/79/1164213379.db2.gz OICMNFSDMLPXKW-XHSDSOJGSA-N 1 3 323.485 0.121 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1O)N(C)Cc1ccccc1 ZINC001576021621 1164213949 /nfs/dbraw/zinc/21/39/49/1164213949.db2.gz GSBCCQSFSFKEPU-VNQPRFMTSA-N 1 3 320.437 0.529 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001576069450 1164229879 /nfs/dbraw/zinc/22/98/79/1164229879.db2.gz ATNBFHYPZSJUSH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)cc1 ZINC001576166178 1164257159 /nfs/dbraw/zinc/25/71/59/1164257159.db2.gz ZPRVDLVOXNLCJC-VBNZEHGJSA-N 1 3 303.406 0.987 20 0 DCADHO CCN1CCC(NC(=O)C[NH2+]CCOC)(C(F)(F)F)CC1 ZINC001577767000 1164786791 /nfs/dbraw/zinc/78/67/91/1164786791.db2.gz FWFAMVXVICZSJQ-UHFFFAOYSA-N 1 3 311.348 0.755 20 0 DCADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)O)C1 ZINC001578481464 1165032321 /nfs/dbraw/zinc/03/23/21/1165032321.db2.gz VSWWROAJAHAUSJ-HZPDHXFCSA-N 1 3 319.449 0.860 20 0 DCADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)O)C1 ZINC001578481464 1165032328 /nfs/dbraw/zinc/03/23/28/1165032328.db2.gz VSWWROAJAHAUSJ-HZPDHXFCSA-N 1 3 319.449 0.860 20 0 DCADHO C[NH2+][C@@H](C)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001578568550 1165063514 /nfs/dbraw/zinc/06/35/14/1165063514.db2.gz ISTFNLCBSCTGBC-AWEZNQCLSA-N 1 3 311.474 0.406 20 0 DCADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001578647229 1165077756 /nfs/dbraw/zinc/07/77/56/1165077756.db2.gz USTPFOVNFFKEQA-IJEWVQPXSA-N 1 3 307.438 0.840 20 0 DCADHO C[NH2+]CCc1ccccc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001578716514 1165090523 /nfs/dbraw/zinc/09/05/23/1165090523.db2.gz VFWPCEMDVRTUPN-AWEZNQCLSA-N 1 3 303.406 0.651 20 0 DCADHO COC[C@@]1(C(=O)N2CC([NH2+]C3CCOCC3)C2)CCCCN1 ZINC001578972439 1165173388 /nfs/dbraw/zinc/17/33/88/1165173388.db2.gz LQHOSCXPZQCXKK-MRXNPFEDSA-N 1 3 311.426 0.125 20 0 DCADHO COC[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001578970058 1165173421 /nfs/dbraw/zinc/17/34/21/1165173421.db2.gz JNRKFVOMTUNYHP-ZBFHGGJFSA-N 1 3 323.441 0.734 20 0 DCADHO COC[C@@]1(CN(C)C)COCCN1C(=O)CCC(C)(C)[NH3+] ZINC001578980496 1165177525 /nfs/dbraw/zinc/17/75/25/1165177525.db2.gz DYAYTZINQFYMHZ-HNNXBMFYSA-N 1 3 301.431 0.310 20 0 DCADHO COCCNCC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001579045285 1165193615 /nfs/dbraw/zinc/19/36/15/1165193615.db2.gz MGFVNXYVIVNMHR-CVEARBPZSA-N 1 3 305.422 0.684 20 0 DCADHO COCCNCC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001579045285 1165193618 /nfs/dbraw/zinc/19/36/18/1165193618.db2.gz MGFVNXYVIVNMHR-CVEARBPZSA-N 1 3 305.422 0.684 20 0 DCADHO Cn1ccc(C2CCN(C[C@H]3CC4(C[NH2+]C4)C(=O)O3)CC2)n1 ZINC001579971172 1165455672 /nfs/dbraw/zinc/45/56/72/1165455672.db2.gz KYFKDARLGMOQKM-CYBMUJFWSA-N 1 3 304.394 0.505 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC001580084814 1165496558 /nfs/dbraw/zinc/49/65/58/1165496558.db2.gz KXWFXRINRHCRCV-CQSZACIVSA-N 1 3 320.437 0.366 20 0 DCADHO O=C(CCCCC1CC[NH2+]CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001580528987 1165630509 /nfs/dbraw/zinc/63/05/09/1165630509.db2.gz RREPOGAXLAIMAF-JKSUJKDBSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCN1C1CCOCC1 ZINC001580556725 1165638835 /nfs/dbraw/zinc/63/88/35/1165638835.db2.gz WHBFMWZFIUBDEV-GJZGRUSLSA-N 1 3 311.426 0.125 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001580556725 1165638836 /nfs/dbraw/zinc/63/88/36/1165638836.db2.gz WHBFMWZFIUBDEV-GJZGRUSLSA-N 1 3 311.426 0.125 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001580556725 1165638839 /nfs/dbraw/zinc/63/88/39/1165638839.db2.gz WHBFMWZFIUBDEV-GJZGRUSLSA-N 1 3 311.426 0.125 20 0 DCADHO O=C(NC1(CCO)C[NH2+]C1)c1cccc(CN2CCCC2)c1 ZINC001580595617 1165648282 /nfs/dbraw/zinc/64/82/82/1165648282.db2.gz OMSMETOSLSCCKV-UHFFFAOYSA-N 1 3 303.406 0.737 20 0 DCADHO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589963483 1166733018 /nfs/dbraw/zinc/73/30/18/1166733018.db2.gz MILSGPRWXKESPI-NSHDSACASA-N 1 3 319.388 0.562 20 0 DCADHO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589963483 1166733022 /nfs/dbraw/zinc/73/30/22/1166733022.db2.gz MILSGPRWXKESPI-NSHDSACASA-N 1 3 319.388 0.562 20 0 DCADHO c1cc(C[NH2+]CCCN2CC[NH2+]CC2)cc(-c2nnn[n-]2)c1 ZINC001593554280 1167933007 /nfs/dbraw/zinc/93/30/07/1167933007.db2.gz SENXXEDKMCPOHF-UHFFFAOYSA-N 1 3 301.398 0.252 20 0 DCADHO c1cc(C[NH2+]CCCN2CC[NH2+]CC2)cc(-c2nn[n-]n2)c1 ZINC001593554280 1167933013 /nfs/dbraw/zinc/93/30/13/1167933013.db2.gz SENXXEDKMCPOHF-UHFFFAOYSA-N 1 3 301.398 0.252 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1CC[NH3+] ZINC001605416738 1169915282 /nfs/dbraw/zinc/91/52/82/1169915282.db2.gz QCWUGUKVDQKRSX-KCPJHIHWSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1CC[NH3+] ZINC001605416738 1169915285 /nfs/dbraw/zinc/91/52/85/1169915285.db2.gz QCWUGUKVDQKRSX-KCPJHIHWSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1CC[NH3+] ZINC001605416738 1169915289 /nfs/dbraw/zinc/91/52/89/1169915289.db2.gz QCWUGUKVDQKRSX-KCPJHIHWSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1CC[NH3+] ZINC001605416738 1169915293 /nfs/dbraw/zinc/91/52/93/1169915293.db2.gz QCWUGUKVDQKRSX-KCPJHIHWSA-N 1 3 316.409 0.817 20 0 DCADHO C[C@@H]1CN(C(=O)CN(CC[NH3+])Cc2ccccc2)[C@H](C)CN1 ZINC001645879764 1172169075 /nfs/dbraw/zinc/16/90/75/1172169075.db2.gz QVEVGSYSEXQDSU-HUUCEWRRSA-N 1 3 304.438 0.656 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@@H+]1C ZINC001645984517 1172205161 /nfs/dbraw/zinc/20/51/61/1172205161.db2.gz PMJALUWFBUCCIO-HOCLYGCPSA-N 1 3 308.470 0.423 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC(CN3CCN(C)CC3)C2)CC[N@H+]1C ZINC001645984517 1172205170 /nfs/dbraw/zinc/20/51/70/1172205170.db2.gz PMJALUWFBUCCIO-HOCLYGCPSA-N 1 3 308.470 0.423 20 0 DCADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C2)nn1 ZINC001646496132 1172405196 /nfs/dbraw/zinc/40/51/96/1172405196.db2.gz PNMPHLZUXKJEGQ-REBRKWNGSA-N 1 3 307.398 0.178 20 0 DCADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C2)nn1 ZINC001646496132 1172405202 /nfs/dbraw/zinc/40/52/02/1172405202.db2.gz PNMPHLZUXKJEGQ-REBRKWNGSA-N 1 3 307.398 0.178 20 0 DCADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1[NH2+]CC12CCOCC2 ZINC001646720721 1172490415 /nfs/dbraw/zinc/49/04/15/1172490415.db2.gz HOLKEIJZWVAHIL-CVEARBPZSA-N 1 3 315.417 0.758 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC001646814695 1172546317 /nfs/dbraw/zinc/54/63/17/1172546317.db2.gz JZPADTNNICMPKY-NVXWUHKLSA-N 1 3 308.470 0.744 20 0 DCADHO Cc1sc(CN)nc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001646842184 1172560611 /nfs/dbraw/zinc/56/06/11/1172560611.db2.gz NWVWYODGJCLMPA-KOLCDFICSA-N 1 3 311.455 0.274 20 0 DCADHO Cc1sc(CN)nc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001646842184 1172560618 /nfs/dbraw/zinc/56/06/18/1172560618.db2.gz NWVWYODGJCLMPA-KOLCDFICSA-N 1 3 311.455 0.274 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001647273192 1172777768 /nfs/dbraw/zinc/77/77/68/1172777768.db2.gz AAZIWCARTKACJY-NSHDSACASA-N 1 3 322.413 0.124 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC001647273192 1172777770 /nfs/dbraw/zinc/77/77/70/1172777770.db2.gz AAZIWCARTKACJY-NSHDSACASA-N 1 3 322.413 0.124 20 0 DCADHO COCCN1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC001647555899 1172969653 /nfs/dbraw/zinc/96/96/53/1172969653.db2.gz GZSMNGOEQFETLG-UONOGXRCSA-N 1 3 310.442 0.348 20 0 DCADHO CN1CC[NH+](C2CCN(C[C@H]3CCc4ncnn43)CC2)CC1 ZINC001649969725 1173347418 /nfs/dbraw/zinc/34/74/18/1173347418.db2.gz MYSQJEKPNNOUMB-OAHLLOKOSA-N 1 3 304.442 0.477 20 0 DCADHO COCCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001650335796 1173574445 /nfs/dbraw/zinc/57/44/45/1173574445.db2.gz DOGWWLOCXRGHJV-QLFBSQMISA-N 1 3 313.442 0.228 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001650341115 1173579829 /nfs/dbraw/zinc/57/98/29/1173579829.db2.gz KIJJZVKITBMEGN-WPGHFRTFSA-N 1 3 306.410 0.484 20 0 DCADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H](O)C[NH3+] ZINC001650344651 1173581855 /nfs/dbraw/zinc/58/18/55/1173581855.db2.gz CEKXYMNLMYWKDR-CQSZACIVSA-N 1 3 313.829 0.940 20 0 DCADHO CCCNC(=O)CNCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001664111157 1174396453 /nfs/dbraw/zinc/39/64/53/1174396453.db2.gz COGNYIVDLAJFBT-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCc1ccnn1C ZINC001664391526 1174429061 /nfs/dbraw/zinc/42/90/61/1174429061.db2.gz NRQUTVYLRMMJJX-OKILXGFUSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCc1ccnn1C ZINC001664391526 1174429065 /nfs/dbraw/zinc/42/90/65/1174429065.db2.gz NRQUTVYLRMMJJX-OKILXGFUSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)CN1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001667694318 1174703110 /nfs/dbraw/zinc/70/31/10/1174703110.db2.gz MTLVAXVVSCLESC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001668623611 1174814814 /nfs/dbraw/zinc/81/48/14/1174814814.db2.gz STFVLNFNIZSHDU-HNNXBMFYSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCCC1)C(=O)[C@H]1CCCN1C ZINC001670041414 1174973728 /nfs/dbraw/zinc/97/37/28/1174973728.db2.gz ATHNEYBUDWAOAW-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1 ZINC001672909755 1175160843 /nfs/dbraw/zinc/16/08/43/1175160843.db2.gz ILSKPGCDTVCYAX-OAHLLOKOSA-N 1 3 320.441 0.202 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001676588883 1175464474 /nfs/dbraw/zinc/46/44/74/1175464474.db2.gz VBZMPMQVIOVECN-UONOGXRCSA-N 1 3 303.422 0.676 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001690431696 1177241058 /nfs/dbraw/zinc/24/10/58/1177241058.db2.gz OJTCXTWTOVGPSC-HNNXBMFYSA-N 1 3 322.457 0.448 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCN1CCCC1=O ZINC001698768424 1177644545 /nfs/dbraw/zinc/64/45/45/1177644545.db2.gz OOZUTMCZMSSYLQ-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001699107747 1177861441 /nfs/dbraw/zinc/86/14/41/1177861441.db2.gz WHALYYMJKJDAIB-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001699127729 1177880477 /nfs/dbraw/zinc/88/04/77/1177880477.db2.gz GOXOXWGIJJLSDL-LLVKDONJSA-N 1 3 311.455 0.864 20 0 DCADHO C[C@H](CC[NH2+]Cc1cncn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001699132924 1177884122 /nfs/dbraw/zinc/88/41/22/1177884122.db2.gz AVTGGKFFNAXXQC-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001699264382 1178004278 /nfs/dbraw/zinc/00/42/78/1178004278.db2.gz YTMAYIQWFQWNSK-LGYHGODRSA-N 1 3 322.453 0.256 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001699264382 1178004284 /nfs/dbraw/zinc/00/42/84/1178004284.db2.gz YTMAYIQWFQWNSK-LGYHGODRSA-N 1 3 322.453 0.256 20 0 DCADHO CC(C)(C(=O)NC/C=C\CN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001699291541 1178033960 /nfs/dbraw/zinc/03/39/60/1178033960.db2.gz HNANWVCGTWRURI-DHCBQETCSA-N 1 3 308.426 0.011 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001703279770 1179440725 /nfs/dbraw/zinc/44/07/25/1179440725.db2.gz PWMWACLNAHFRDS-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1CC[NH2+]CC(N)=O ZINC001707131315 1180420400 /nfs/dbraw/zinc/42/04/00/1180420400.db2.gz FAFNKTPQDXEHGS-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@H+](C)CCN2CCCC2=O)C1 ZINC001712972229 1180598606 /nfs/dbraw/zinc/59/86/06/1180598606.db2.gz QEYCZPKSRAIRDW-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[N@@H+](C)CCN2CCCC2=O)C1 ZINC001712972229 1180598607 /nfs/dbraw/zinc/59/86/07/1180598607.db2.gz QEYCZPKSRAIRDW-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001713985373 1181184972 /nfs/dbraw/zinc/18/49/72/1181184972.db2.gz MNBHBORNPWAHOR-QLFBSQMISA-N 1 3 313.442 0.105 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCOC2CCC2)C1 ZINC001714368373 1181338410 /nfs/dbraw/zinc/33/84/10/1181338410.db2.gz ZMBMJKGFFOSJJO-CYBMUJFWSA-N 1 3 306.410 0.959 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CCOCC(F)F)C1 ZINC001714382045 1181343714 /nfs/dbraw/zinc/34/37/14/1181343714.db2.gz JWVKJOXVLMLBHD-CYBMUJFWSA-N 1 3 319.396 0.802 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001715153218 1181703470 /nfs/dbraw/zinc/70/34/70/1181703470.db2.gz HKAXAENZQYMDPO-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H](O)C[NH2+]CCCF)C1 ZINC001715601164 1181887375 /nfs/dbraw/zinc/88/73/75/1181887375.db2.gz NFQCAWJQYKJWOM-SWLSCSKDSA-N 1 3 321.412 0.625 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001715899031 1182087623 /nfs/dbraw/zinc/08/76/23/1182087623.db2.gz ZSJDNYPKKQGROU-IBUXWKBASA-N 1 3 320.437 0.011 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001716173730 1182233480 /nfs/dbraw/zinc/23/34/80/1182233480.db2.gz DNEJMBTUJGXMKD-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O ZINC001716294060 1182311814 /nfs/dbraw/zinc/31/18/14/1182311814.db2.gz PHXAFZSRZSTLLX-ZYDHHDLOSA-N 1 3 322.453 0.352 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O ZINC001716294060 1182311819 /nfs/dbraw/zinc/31/18/19/1182311819.db2.gz PHXAFZSRZSTLLX-ZYDHHDLOSA-N 1 3 322.453 0.352 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O)[NH+](C)C ZINC001716304158 1182317441 /nfs/dbraw/zinc/31/74/41/1182317441.db2.gz ACYJKSSNAKEDJQ-AFJNRPGYSA-N 1 3 310.442 0.065 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N(CCO)CCNCCF)C1 ZINC001717060257 1182658037 /nfs/dbraw/zinc/65/80/37/1182658037.db2.gz POESNJRZJCQQNO-OAHLLOKOSA-N 1 3 321.412 0.579 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N(CCO)CCNCCF)C1 ZINC001717060257 1182658040 /nfs/dbraw/zinc/65/80/40/1182658040.db2.gz POESNJRZJCQQNO-OAHLLOKOSA-N 1 3 321.412 0.579 20 0 DCADHO CN(CCC[NH2+]C[C@H]1CCc2ncnn21)C(=O)CN1CCCC1 ZINC001723193800 1184275211 /nfs/dbraw/zinc/27/52/11/1184275211.db2.gz DJMIYVJAXOPDCZ-CQSZACIVSA-N 1 3 320.441 0.299 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC/C=C\Cl)C1 ZINC001724825154 1184578050 /nfs/dbraw/zinc/57/80/50/1184578050.db2.gz LEWUGCJEBIPHIJ-RYWCDNDXSA-N 1 3 303.834 0.898 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNC/C=C\Cl)C1 ZINC001724825154 1184578052 /nfs/dbraw/zinc/57/80/52/1184578052.db2.gz LEWUGCJEBIPHIJ-RYWCDNDXSA-N 1 3 303.834 0.898 20 0 DCADHO C[C@H](O)CCC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001724985437 1184645005 /nfs/dbraw/zinc/64/50/05/1184645005.db2.gz VCGNZILKQLCXBU-ZDUSSCGKSA-N 1 3 324.425 0.056 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC2(CO[C@@H](CNCCF)C2)CC1 ZINC001725350721 1184782444 /nfs/dbraw/zinc/78/24/44/1184782444.db2.gz ZLRQDLJBEHYHCU-CQSZACIVSA-N 1 3 315.433 0.895 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001753252415 1185187086 /nfs/dbraw/zinc/18/70/86/1185187086.db2.gz XMTSGNPYXNVXHF-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)CNC(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001753252415 1185187089 /nfs/dbraw/zinc/18/70/89/1185187089.db2.gz XMTSGNPYXNVXHF-CQSZACIVSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)[C@H]2CCCNC2=O)C1 ZINC001731265278 1185227772 /nfs/dbraw/zinc/22/77/72/1185227772.db2.gz GQMZURFMJPAHKZ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@H]2CCCNC2=O)C1 ZINC001731265278 1185227776 /nfs/dbraw/zinc/22/77/76/1185227776.db2.gz GQMZURFMJPAHKZ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)CCOCC(F)(F)F ZINC001731791777 1185489821 /nfs/dbraw/zinc/48/98/21/1185489821.db2.gz JWKJDDKAXXNTQY-UHFFFAOYSA-N 1 3 323.359 0.709 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001731858864 1185533949 /nfs/dbraw/zinc/53/39/49/1185533949.db2.gz VOFHWAKPDDXWTN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001732850458 1186012810 /nfs/dbraw/zinc/01/28/10/1186012810.db2.gz IZHDQAURIAWCQN-KXLSMFKISA-N 1 3 324.469 0.598 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001732850458 1186012816 /nfs/dbraw/zinc/01/28/16/1186012816.db2.gz IZHDQAURIAWCQN-KXLSMFKISA-N 1 3 324.469 0.598 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001732908197 1186052671 /nfs/dbraw/zinc/05/26/71/1186052671.db2.gz JYVSEXOFXBXAOT-BEWKBBBFSA-N 1 3 324.469 0.777 20 0 DCADHO CCCCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001732977405 1186089042 /nfs/dbraw/zinc/08/90/42/1186089042.db2.gz CQCVBMAGJQQMDJ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCNCc2ccn(C)n2)C1 ZINC001733126906 1186152697 /nfs/dbraw/zinc/15/26/97/1186152697.db2.gz SQQKXDLUOYYCFH-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNCc2ccn(C)n2)C1 ZINC001733126906 1186152703 /nfs/dbraw/zinc/15/27/03/1186152703.db2.gz SQQKXDLUOYYCFH-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO Cc1cncc(CNCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001733631543 1186382775 /nfs/dbraw/zinc/38/27/75/1186382775.db2.gz ZIAGBMIDAHXPGU-INIZCTEOSA-N 1 3 320.437 0.252 20 0 DCADHO Cc1cncc(CNCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001733631543 1186382778 /nfs/dbraw/zinc/38/27/78/1186382778.db2.gz ZIAGBMIDAHXPGU-INIZCTEOSA-N 1 3 320.437 0.252 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCO[C@@H](CNCCF)C1 ZINC001733752465 1186433448 /nfs/dbraw/zinc/43/34/48/1186433448.db2.gz ZRURKROIVLWIFS-AWEZNQCLSA-N 1 3 301.406 0.649 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCn3cccn3)C2)C1 ZINC001734216295 1186582482 /nfs/dbraw/zinc/58/24/82/1186582482.db2.gz QRDGTWNMSFMPCY-BZUAXINKSA-N 1 3 319.453 0.709 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCCNC(=O)CC[NH+](C)C ZINC001737209598 1187286264 /nfs/dbraw/zinc/28/62/64/1187286264.db2.gz URCFTKNKHXWPAV-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](NCCCO)c2ccccc2)C1 ZINC001753302381 1188560344 /nfs/dbraw/zinc/56/03/44/1188560344.db2.gz AGORNAACHUWDKL-HZPDHXFCSA-N 1 3 305.422 0.768 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NCCCO)c2ccccc2)C1 ZINC001753302381 1188560348 /nfs/dbraw/zinc/56/03/48/1188560348.db2.gz AGORNAACHUWDKL-HZPDHXFCSA-N 1 3 305.422 0.768 20 0 DCADHO CN(C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001753359650 1188572727 /nfs/dbraw/zinc/57/27/27/1188572727.db2.gz ZRZSHLDHEQPOAX-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001759663209 1190256502 /nfs/dbraw/zinc/25/65/02/1190256502.db2.gz VQECOBULWFNDHE-DANTVBBOSA-N 1 3 324.469 0.600 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC/C=C\CNC(=O)[C@@H]1CCCN1C ZINC001759663209 1190256506 /nfs/dbraw/zinc/25/65/06/1190256506.db2.gz VQECOBULWFNDHE-DANTVBBOSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC001772065276 1190422374 /nfs/dbraw/zinc/42/23/74/1190422374.db2.gz ADGNRSHPOMTKBT-QLFBSQMISA-N 1 3 312.458 0.594 20 0 DCADHO Cn1cc([C@@H]2C[C@@H](NC[C@H](O)C[NH+]3CCCC3)CCO2)cn1 ZINC001772056348 1190601268 /nfs/dbraw/zinc/60/12/68/1190601268.db2.gz YMQFHBUJTHUKGZ-JYJNAYRXSA-N 1 3 308.426 0.687 20 0 DCADHO [NH3+]C[C@H](O)CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC001772223847 1190634736 /nfs/dbraw/zinc/63/47/36/1190634736.db2.gz GCVBXZNATKPWOK-MRXNPFEDSA-N 1 3 321.421 0.539 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001772260731 1190646910 /nfs/dbraw/zinc/64/69/10/1190646910.db2.gz UWILBGIHYZWWSU-UAGQMJEPSA-N 1 3 319.449 0.902 20 0 DCADHO N[C@H](CC1CC1)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001772270245 1190649900 /nfs/dbraw/zinc/64/99/00/1190649900.db2.gz YFGAHKVQAHVFCK-QGZVFWFLSA-N 1 3 316.449 0.835 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CCC2(CC1)C[NH2+]CCO2 ZINC001772285551 1190653760 /nfs/dbraw/zinc/65/37/60/1190653760.db2.gz YVOPNJKRMYAEOB-UHFFFAOYSA-N 1 3 301.390 0.884 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001772293764 1190655807 /nfs/dbraw/zinc/65/58/07/1190655807.db2.gz ZKWHMDBQEBACKP-OLZOCXBDSA-N 1 3 311.426 0.777 20 0 DCADHO C[C@H](CC(=O)N[C@@H](CO)CN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001575920944 1164185555 /nfs/dbraw/zinc/18/55/55/1164185555.db2.gz HLJXNSFMLVJKMF-OWCLPIDISA-N 1 3 311.470 0.975 20 0 DCADHO OC[C@@]12C[NH2+]C[C@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164402085 718853293 /nfs/dbraw/zinc/85/32/93/718853293.db2.gz DTCVFMMLCPJEDR-RDJZCZTQSA-N 1 3 302.422 0.696 20 0 DCADHO CN(C)S(=O)(=O)CCCN[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001578420346 1165008313 /nfs/dbraw/zinc/00/83/13/1165008313.db2.gz HPJSDFKPGYEVJC-JHJVBQTASA-N 1 3 303.472 0.634 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466497 751406773 /nfs/dbraw/zinc/40/67/73/751406773.db2.gz PIKBTZLKLMABBC-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001107037264 751786248 /nfs/dbraw/zinc/78/62/48/751786248.db2.gz ZOJUYJBYGVQBKC-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127707269 751854709 /nfs/dbraw/zinc/85/47/09/751854709.db2.gz XZXFCWQTWPZCRK-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127707269 751854716 /nfs/dbraw/zinc/85/47/16/751854716.db2.gz XZXFCWQTWPZCRK-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO COCC[C@H]1CNCCN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001579011319 1165188335 /nfs/dbraw/zinc/18/83/35/1165188335.db2.gz XSVOGBAZLUYOLY-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[C@H]1CNCCN1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC001579011319 1165188342 /nfs/dbraw/zinc/18/83/42/1165188342.db2.gz XSVOGBAZLUYOLY-KBPBESRZSA-N 1 3 312.458 0.879 20 0 DCADHO O=C(NCCNCc1cncc(F)c1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779918 752066763 /nfs/dbraw/zinc/06/67/63/752066763.db2.gz SVFYQYZFLAZULN-LSDHHAIUSA-N 1 3 322.384 0.290 20 0 DCADHO O=C(NCCNCc1cncc(F)c1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779918 752066768 /nfs/dbraw/zinc/06/67/68/752066768.db2.gz SVFYQYZFLAZULN-LSDHHAIUSA-N 1 3 322.384 0.290 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098536569 747062870 /nfs/dbraw/zinc/06/28/70/747062870.db2.gz MPJGLONXUZOJIS-UHFFFAOYSA-N 1 3 317.449 0.973 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)CN(CC)CC)CC1)C(N)=O ZINC001167480575 747276923 /nfs/dbraw/zinc/27/69/23/747276923.db2.gz LXVCEKHSOXXFOC-CYBMUJFWSA-N 1 3 312.458 0.468 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001104937508 747985086 /nfs/dbraw/zinc/98/50/86/747985086.db2.gz BIWBDCNRMQYNSX-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001077665080 752252018 /nfs/dbraw/zinc/25/20/18/752252018.db2.gz DAMBCKDBOIOVIB-ZDUSSCGKSA-N 1 3 300.447 0.291 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(CNC(=O)CN(C)CCC)C1 ZINC001100901687 749523671 /nfs/dbraw/zinc/52/36/71/749523671.db2.gz JDVWMMJWHQTXFK-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H]([NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001168346154 749926909 /nfs/dbraw/zinc/92/69/09/749926909.db2.gz VAZOYFHQERZWNF-CYBMUJFWSA-N 1 3 312.458 0.467 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)C1 ZINC001083518899 750088282 /nfs/dbraw/zinc/08/82/82/750088282.db2.gz VYLBOOLFUSHNQQ-BBWFWOEESA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)C1 ZINC001083518899 750088287 /nfs/dbraw/zinc/08/82/87/750088287.db2.gz VYLBOOLFUSHNQQ-BBWFWOEESA-N 1 3 323.481 0.926 20 0 DCADHO CC(C)CCN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299132 750328527 /nfs/dbraw/zinc/32/85/27/750328527.db2.gz QOAUCNXTOPYLNF-HUUCEWRRSA-N 1 3 309.454 0.822 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904975337 750433010 /nfs/dbraw/zinc/43/30/10/750433010.db2.gz VNJUVRQRBSUQSD-GUYCJALGSA-N 1 3 322.453 0.269 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)CC[N@H+](C)CC)N(C)C ZINC001077516038 750917690 /nfs/dbraw/zinc/91/76/90/750917690.db2.gz BDWCXUWTOBIZBZ-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)CC[N@@H+](C)CC)N(C)C ZINC001077516038 750917692 /nfs/dbraw/zinc/91/76/92/750917692.db2.gz BDWCXUWTOBIZBZ-KBPBESRZSA-N 1 3 314.474 0.679 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106249554 751064925 /nfs/dbraw/zinc/06/49/25/751064925.db2.gz KJBBPMZWWASXBB-XPKDYRNWSA-N 1 3 324.469 0.099 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1)N(C)C ZINC001106312270 751106588 /nfs/dbraw/zinc/10/65/88/751106588.db2.gz AKTGUSTWLAFCDU-RBSFLKMASA-N 1 3 315.458 0.020 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCn2cncn2)[C@H](C)C1)N(C)C ZINC001106674471 751222897 /nfs/dbraw/zinc/22/28/97/751222897.db2.gz WMCGMRUHVUKZEU-KFWWJZLASA-N 1 3 322.457 0.302 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748868 752857309 /nfs/dbraw/zinc/85/73/09/752857309.db2.gz GCSQLAXNGWJIFB-CHWSQXEVSA-N 1 3 319.409 0.154 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751114 752859070 /nfs/dbraw/zinc/85/90/70/752859070.db2.gz QODARBNXJSDCEN-CHWSQXEVSA-N 1 3 316.409 0.855 20 0 DCADHO CC[NH+](CC)[C@H](C(=O)NCCCNCc1cnnn1C)C(C)C ZINC001168666783 753018415 /nfs/dbraw/zinc/01/84/15/753018415.db2.gz LUUBXKCJHUQAGE-HNNXBMFYSA-N 1 3 324.473 0.777 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078174261 753091786 /nfs/dbraw/zinc/09/17/86/753091786.db2.gz GQOQKDCDZICDOQ-GVDBMIGSSA-N 1 3 321.465 0.990 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078174261 753091791 /nfs/dbraw/zinc/09/17/91/753091791.db2.gz GQOQKDCDZICDOQ-GVDBMIGSSA-N 1 3 321.465 0.990 20 0 DCADHO Cn1nccc1CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001045274242 753125263 /nfs/dbraw/zinc/12/52/63/753125263.db2.gz KBQQQGWAXIBNHZ-HNNXBMFYSA-N 1 3 317.437 0.597 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001045309343 753139251 /nfs/dbraw/zinc/13/92/51/753139251.db2.gz PZEMZVUPAWOIPJ-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001045309343 753139258 /nfs/dbraw/zinc/13/92/58/753139258.db2.gz PZEMZVUPAWOIPJ-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2)N1CCCC1 ZINC001078695413 753347507 /nfs/dbraw/zinc/34/75/07/753347507.db2.gz MATKJFMIYOZUHN-KBPBESRZSA-N 1 3 309.454 0.870 20 0 DCADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407429 754254878 /nfs/dbraw/zinc/25/48/78/754254878.db2.gz HARCPIJKQJQDRJ-JYJNAYRXSA-N 1 3 311.470 0.878 20 0 DCADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047407429 754254883 /nfs/dbraw/zinc/25/48/83/754254883.db2.gz HARCPIJKQJQDRJ-JYJNAYRXSA-N 1 3 311.470 0.878 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001128774167 754271351 /nfs/dbraw/zinc/27/13/51/754271351.db2.gz NIMICLVUGOIEIX-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001128774167 754271356 /nfs/dbraw/zinc/27/13/56/754271356.db2.gz NIMICLVUGOIEIX-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001128786338 754288535 /nfs/dbraw/zinc/28/85/35/754288535.db2.gz VIVIOYREMJYUPJ-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001128786338 754288537 /nfs/dbraw/zinc/28/85/37/754288537.db2.gz VIVIOYREMJYUPJ-OCCSQVGLSA-N 1 3 310.442 0.234 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129204812 754557602 /nfs/dbraw/zinc/55/76/02/754557602.db2.gz KOOMBURVRPEXAW-CABCVRRESA-N 1 3 320.441 0.371 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C[NH2+]Cc1nccn1C ZINC001048478616 754769131 /nfs/dbraw/zinc/76/91/31/754769131.db2.gz YAJRKJYQPMOIBX-GJZGRUSLSA-N 1 3 319.453 0.700 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1)N(C)C ZINC001048887859 754998164 /nfs/dbraw/zinc/99/81/64/754998164.db2.gz HGHCVRMYIBBULL-APIJFGDWSA-N 1 3 324.469 0.194 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]2C1)N(C)C ZINC001048887859 754998166 /nfs/dbraw/zinc/99/81/66/754998166.db2.gz HGHCVRMYIBBULL-APIJFGDWSA-N 1 3 324.469 0.194 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049058446 755095697 /nfs/dbraw/zinc/09/56/97/755095697.db2.gz YHAUZLZPENKTDP-FPCVCCKLSA-N 1 3 309.454 0.896 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049058446 755095701 /nfs/dbraw/zinc/09/57/01/755095701.db2.gz YHAUZLZPENKTDP-FPCVCCKLSA-N 1 3 309.454 0.896 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001168763644 755210585 /nfs/dbraw/zinc/21/05/85/755210585.db2.gz RCPOPWAFVVJNPN-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001051356869 755644280 /nfs/dbraw/zinc/64/42/80/755644280.db2.gz WOMLQKPYFBNUCV-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC(N(C/C=C\Cl)CCO)CC1 ZINC001098467808 762418285 /nfs/dbraw/zinc/41/82/85/762418285.db2.gz WQRJRVIYZDVGDZ-CLTKARDFSA-N 1 3 317.861 0.976 20 0 DCADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001080149228 756115064 /nfs/dbraw/zinc/11/50/64/756115064.db2.gz XRVXQEAKXVPWQS-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001080149228 756115067 /nfs/dbraw/zinc/11/50/67/756115067.db2.gz XRVXQEAKXVPWQS-HIFRSBDPSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001080754689 756333373 /nfs/dbraw/zinc/33/33/73/756333373.db2.gz VMUKSASAJSKQLU-CZUORRHYSA-N 1 3 309.454 0.537 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC001054742296 756623979 /nfs/dbraw/zinc/62/39/79/756623979.db2.gz YWCPRYHZEIUJTC-DZGCQCFKSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1NCC(N)=O ZINC001054827722 756648581 /nfs/dbraw/zinc/64/85/81/756648581.db2.gz XUHSNUMEGKEKDR-JSGCOSHPSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1NCC(N)=O ZINC001054827722 756648584 /nfs/dbraw/zinc/64/85/84/756648584.db2.gz XUHSNUMEGKEKDR-JSGCOSHPSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1)[NH+](C)C ZINC001082575199 757194531 /nfs/dbraw/zinc/19/45/31/757194531.db2.gz QLEJPSABJVNCOS-BMFZPTHFSA-N 1 3 321.469 0.943 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001050075456 757335834 /nfs/dbraw/zinc/33/58/34/757335834.db2.gz HEDKGKXUJIOPFP-GBJTYRQASA-N 1 3 322.453 0.138 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001050075456 757335846 /nfs/dbraw/zinc/33/58/46/757335846.db2.gz HEDKGKXUJIOPFP-GBJTYRQASA-N 1 3 322.453 0.138 20 0 DCADHO CC(C)N1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084352214 757799519 /nfs/dbraw/zinc/79/95/19/757799519.db2.gz YKXMRIWHYYADER-GDBMZVCRSA-N 1 3 319.453 0.999 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2O)CCC1 ZINC001099871445 758177333 /nfs/dbraw/zinc/17/73/33/758177333.db2.gz DBYRSSRYCWWGIE-OLZOCXBDSA-N 1 3 301.406 0.382 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](CCCF)C[C@@H]2O)CCC1 ZINC001099871445 758177338 /nfs/dbraw/zinc/17/73/38/758177338.db2.gz DBYRSSRYCWWGIE-OLZOCXBDSA-N 1 3 301.406 0.382 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001051847818 758987358 /nfs/dbraw/zinc/98/73/58/758987358.db2.gz BNBNRKYWWXEOFR-ZFWWWQNUSA-N 1 3 322.409 0.196 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001051847815 758987509 /nfs/dbraw/zinc/98/75/09/758987509.db2.gz BNBNRKYWWXEOFR-DZGCQCFKSA-N 1 3 322.409 0.196 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001051995401 759098219 /nfs/dbraw/zinc/09/82/19/759098219.db2.gz DFYGACMNXOIBAU-DLBZAZTESA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001051995403 759098710 /nfs/dbraw/zinc/09/87/10/759098710.db2.gz DFYGACMNXOIBAU-IRXDYDNUSA-N 1 3 320.481 0.709 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CC2=CCCCC2)C[C@@H]1O ZINC001099987189 759123609 /nfs/dbraw/zinc/12/36/09/759123609.db2.gz WERXIZSIIKICQE-HOTGVXAUSA-N 1 3 309.454 0.990 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147822835 767851893 /nfs/dbraw/zinc/85/18/93/767851893.db2.gz BLTKIOUSUSKGQE-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900909 767879198 /nfs/dbraw/zinc/87/91/98/767879198.db2.gz YTAVUPUIJCZLLR-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900909 767879204 /nfs/dbraw/zinc/87/92/04/767879204.db2.gz YTAVUPUIJCZLLR-UONOGXRCSA-N 1 3 312.458 0.339 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001086102146 759715993 /nfs/dbraw/zinc/71/59/93/759715993.db2.gz LGMSWBVOEMAHGW-LXTVHRRPSA-N 1 3 324.469 0.609 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994439 767902551 /nfs/dbraw/zinc/90/25/51/767902551.db2.gz HDHGPYOWNWSABL-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO O=C(NC[C@H]1C[C@H]([NH2+]CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086431746 760183110 /nfs/dbraw/zinc/18/31/10/760183110.db2.gz BOQYRNINODNJLG-GZOJWHRLSA-N 1 3 319.449 0.744 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCCOC)C[C@H]1O ZINC001100085920 760199004 /nfs/dbraw/zinc/19/90/04/760199004.db2.gz STJFVFVNEDUAEP-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCCOC)C[C@H]1O ZINC001100085920 760199010 /nfs/dbraw/zinc/19/90/10/760199010.db2.gz STJFVFVNEDUAEP-LSDHHAIUSA-N 1 3 315.458 0.306 20 0 DCADHO CN(CCCN(C)C(=O)Cc1c[nH]cn1)C(=O)CC[NH+](C)C ZINC001068081746 760218725 /nfs/dbraw/zinc/21/87/25/760218725.db2.gz MCZZRGMSEMDVBN-UHFFFAOYSA-N 1 3 309.414 0.211 20 0 DCADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001148352279 767968457 /nfs/dbraw/zinc/96/84/57/767968457.db2.gz GFSUMMLZXBVDSG-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO COCCN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126008 760966701 /nfs/dbraw/zinc/96/67/01/760966701.db2.gz AAOQKXJGONTKKR-HUUCEWRRSA-N 1 3 313.442 0.060 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108704000 761003366 /nfs/dbraw/zinc/00/33/66/761003366.db2.gz YWNFEJCECFXZHL-IHRRRGAJSA-N 1 3 322.453 0.186 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CCC ZINC001148578543 768020582 /nfs/dbraw/zinc/02/05/82/768020582.db2.gz WOTQGIBNHSXSON-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CCC ZINC001148578543 768020586 /nfs/dbraw/zinc/02/05/86/768020586.db2.gz WOTQGIBNHSXSON-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC001148638917 768027780 /nfs/dbraw/zinc/02/77/80/768027780.db2.gz UHBKNRNKJHNIBD-MRXNPFEDSA-N 1 3 307.438 0.638 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070754843 761432274 /nfs/dbraw/zinc/43/22/74/761432274.db2.gz WMZBHTZHNKRWQW-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070754843 761432276 /nfs/dbraw/zinc/43/22/76/761432276.db2.gz WMZBHTZHNKRWQW-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC)C1 ZINC001112567458 761696099 /nfs/dbraw/zinc/69/60/99/761696099.db2.gz QIUOHPMUJYUWEQ-YOEHRIQHSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CC2(CN1C(=O)[C@@H]1CCCN1C)CC[NH+](CCO)CC2 ZINC001086907928 768088958 /nfs/dbraw/zinc/08/89/58/768088958.db2.gz IDHRGOACYGJQHH-GJZGRUSLSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001129422336 762935424 /nfs/dbraw/zinc/93/54/24/762935424.db2.gz HLQZEYGBPWOMRB-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001129422336 762935432 /nfs/dbraw/zinc/93/54/32/762935432.db2.gz HLQZEYGBPWOMRB-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCn1cc(Cl)cn1)C1CC1 ZINC001129442709 762944952 /nfs/dbraw/zinc/94/49/52/762944952.db2.gz DGYPNUIDNAUGQT-CYBMUJFWSA-N 1 3 313.833 0.583 20 0 DCADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1)C1CCC1 ZINC001129532276 762954554 /nfs/dbraw/zinc/95/45/54/762954554.db2.gz XWDFZYVAKLVXPX-KRWDZBQOSA-N 1 3 319.449 0.780 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001129849748 763024221 /nfs/dbraw/zinc/02/42/21/763024221.db2.gz SROYOXPBIZZRCM-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001129849748 763024224 /nfs/dbraw/zinc/02/42/24/763024224.db2.gz SROYOXPBIZZRCM-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949383 763054829 /nfs/dbraw/zinc/05/48/29/763054829.db2.gz BYSQQKREDSTYSV-GJZGRUSLSA-N 1 3 317.474 0.312 20 0 DCADHO COCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001099879037 763094549 /nfs/dbraw/zinc/09/45/49/763094549.db2.gz DJEOBKRAFXKEID-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO COCCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001099879037 763094553 /nfs/dbraw/zinc/09/45/53/763094553.db2.gz DJEOBKRAFXKEID-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)N(C)C ZINC001130203388 763176675 /nfs/dbraw/zinc/17/66/75/763176675.db2.gz JPYJIKIULYJXCV-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001086997282 768112789 /nfs/dbraw/zinc/11/27/89/768112789.db2.gz WCIKHVYNIAKENE-ZNMIVQPWSA-N 1 3 307.442 0.664 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001130427674 763297484 /nfs/dbraw/zinc/29/74/84/763297484.db2.gz RGCXDUSUNGKJPQ-NSHDSACASA-N 1 3 307.385 0.847 20 0 DCADHO CN(CC[NH3+])CCNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001170498327 763351745 /nfs/dbraw/zinc/35/17/45/763351745.db2.gz JQRTWMFSJUZPBR-AWEZNQCLSA-N 1 3 304.442 0.588 20 0 DCADHO CN(CC[NH3+])CCNc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001170502624 763385041 /nfs/dbraw/zinc/38/50/41/763385041.db2.gz FYGYCCQHTKXQTR-MRXNPFEDSA-N 1 3 317.437 0.903 20 0 DCADHO CNC(=O)C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001100335073 763501540 /nfs/dbraw/zinc/50/15/40/763501540.db2.gz JBDTZBPZAPUJKT-UHFFFAOYSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1)C1CCC1 ZINC001100410971 763560175 /nfs/dbraw/zinc/56/01/75/763560175.db2.gz WXHHQJBVDSAIQJ-UHFFFAOYSA-N 1 3 319.453 0.889 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001100683950 763723592 /nfs/dbraw/zinc/72/35/92/763723592.db2.gz ZPFMKRAAAMJKJA-RUXDESIVSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001100770332 763775431 /nfs/dbraw/zinc/77/54/31/763775431.db2.gz BSQOACGRBINTMO-HSBZDZAISA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H]2CCN(CC)C2=O)C1 ZINC001100905023 763849988 /nfs/dbraw/zinc/84/99/88/763849988.db2.gz RYXCBADPSPPMIL-NRXISQOPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](Nc1ccc(O[C@@H]2CCC[NH2+]C2)nn1)[C@H]1CNCCO1 ZINC001170572320 763876344 /nfs/dbraw/zinc/87/63/44/763876344.db2.gz QMWLQBRBNXHLEB-YNEHKIRRSA-N 1 3 307.398 0.396 20 0 DCADHO CCn1nncc1C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101039368 763932905 /nfs/dbraw/zinc/93/29/05/763932905.db2.gz IKTGOXZUEBIGIJ-UHFFFAOYSA-N 1 3 322.457 0.623 20 0 DCADHO COCCN1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681770 763934643 /nfs/dbraw/zinc/93/46/43/763934643.db2.gz HXRSDPZWSNISSV-GOEBONIOSA-N 1 3 313.442 0.276 20 0 DCADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@]2(CCN(CCO)C2)O1 ZINC001131681621 763935444 /nfs/dbraw/zinc/93/54/44/763935444.db2.gz FRQDPMFTBHMKNS-GDBMZVCRSA-N 1 3 313.442 0.012 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815886 764053954 /nfs/dbraw/zinc/05/39/54/764053954.db2.gz YDGKDIGYQFAKRU-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)C(=O)CNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815886 764053962 /nfs/dbraw/zinc/05/39/62/764053962.db2.gz YDGKDIGYQFAKRU-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCOCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375203 764077196 /nfs/dbraw/zinc/07/71/96/764077196.db2.gz HKKLPILSDMEBRQ-CJNGLKHVSA-N 1 3 306.410 0.769 20 0 DCADHO CCOCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375203 764077204 /nfs/dbraw/zinc/07/72/04/764077204.db2.gz HKKLPILSDMEBRQ-CJNGLKHVSA-N 1 3 306.410 0.769 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098477916 764170233 /nfs/dbraw/zinc/17/02/33/764170233.db2.gz OATWBAAQPXKKEF-AWEZNQCLSA-N 1 3 315.433 0.583 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098477916 764170235 /nfs/dbraw/zinc/17/02/35/764170235.db2.gz OATWBAAQPXKKEF-AWEZNQCLSA-N 1 3 315.433 0.583 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001132736829 764613085 /nfs/dbraw/zinc/61/30/85/764613085.db2.gz DHWSZNSUZBZHEA-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001132736829 764613092 /nfs/dbraw/zinc/61/30/92/764613092.db2.gz DHWSZNSUZBZHEA-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001132737783 764614073 /nfs/dbraw/zinc/61/40/73/764614073.db2.gz QBGSQLATELUKSS-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001132737783 764614078 /nfs/dbraw/zinc/61/40/78/764614078.db2.gz QBGSQLATELUKSS-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001132737484 764614816 /nfs/dbraw/zinc/61/48/16/764614816.db2.gz NKSUTYYUDOQRSL-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001132737484 764614820 /nfs/dbraw/zinc/61/48/20/764614820.db2.gz NKSUTYYUDOQRSL-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CCOCC[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532349 764683053 /nfs/dbraw/zinc/68/30/53/764683053.db2.gz IAJKEHSPWDBIFG-TZMCWYRMSA-N 1 3 308.426 0.981 20 0 DCADHO CCOCC[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532349 764683055 /nfs/dbraw/zinc/68/30/55/764683055.db2.gz IAJKEHSPWDBIFG-TZMCWYRMSA-N 1 3 308.426 0.981 20 0 DCADHO Cc1ncoc1CNCCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132848524 764689418 /nfs/dbraw/zinc/68/94/18/764689418.db2.gz JYNXLZRQJZZJCQ-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncoc1CNCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848524 764689422 /nfs/dbraw/zinc/68/94/22/764689422.db2.gz JYNXLZRQJZZJCQ-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncoc1CNCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848524 764689426 /nfs/dbraw/zinc/68/94/26/764689426.db2.gz JYNXLZRQJZZJCQ-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1ncoc1C[NH2+]CCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132848524 764689431 /nfs/dbraw/zinc/68/94/31/764689431.db2.gz JYNXLZRQJZZJCQ-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132889136 764710576 /nfs/dbraw/zinc/71/05/76/764710576.db2.gz XFXWBZYNHQAFFK-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001132995255 764781872 /nfs/dbraw/zinc/78/18/72/764781872.db2.gz PLORZBSXXIPHSJ-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051745 764803137 /nfs/dbraw/zinc/80/31/37/764803137.db2.gz NGHRZEWUWNRZNL-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCCC(C)(C)C ZINC001133294830 764911787 /nfs/dbraw/zinc/91/17/87/764911787.db2.gz WHATTZCEXDPVQZ-UHFFFAOYSA-N 1 3 300.447 0.196 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]CCOC[C@H]1CCCO1)N(C)C ZINC001133434003 764967467 /nfs/dbraw/zinc/96/74/67/764967467.db2.gz HDSLDLYUDYDORO-HUUCEWRRSA-N 1 3 315.458 0.474 20 0 DCADHO CCCC[C@H](NCCNC(=O)[C@H](CC)[NH+](CC)CC)C(N)=O ZINC001133689965 765095376 /nfs/dbraw/zinc/09/53/76/765095376.db2.gz FRHRNUXMXRNIBB-KBPBESRZSA-N 1 3 314.474 0.857 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819556 765149972 /nfs/dbraw/zinc/14/99/72/765149972.db2.gz GPIJWGZRUXBLJM-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819556 765149977 /nfs/dbraw/zinc/14/99/77/765149977.db2.gz GPIJWGZRUXBLJM-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133820114 765151399 /nfs/dbraw/zinc/15/13/99/765151399.db2.gz YQTLMZGHMZBAKJ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133820114 765151407 /nfs/dbraw/zinc/15/14/07/765151407.db2.gz YQTLMZGHMZBAKJ-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc2nonc2c1 ZINC001133823608 765153400 /nfs/dbraw/zinc/15/34/00/765153400.db2.gz KJVUKSVJRUZSKW-GFCCVEGCSA-N 1 3 317.393 0.913 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001133830987 765161014 /nfs/dbraw/zinc/16/10/14/765161014.db2.gz FLDZUFOTWGDSFK-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001133830987 765161017 /nfs/dbraw/zinc/16/10/17/765161017.db2.gz FLDZUFOTWGDSFK-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001133850154 765183365 /nfs/dbraw/zinc/18/33/65/765183365.db2.gz KHBJRDVINSRUJK-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133867591 765194049 /nfs/dbraw/zinc/19/40/49/765194049.db2.gz VSOSLXPPKSREGF-WFASDCNBSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133867591 765194050 /nfs/dbraw/zinc/19/40/50/765194050.db2.gz VSOSLXPPKSREGF-WFASDCNBSA-N 1 3 318.421 0.189 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869805 765195494 /nfs/dbraw/zinc/19/54/94/765195494.db2.gz LPYIBZXNPNJDSQ-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869805 765195497 /nfs/dbraw/zinc/19/54/97/765195497.db2.gz LPYIBZXNPNJDSQ-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133869524 765195521 /nfs/dbraw/zinc/19/55/21/765195521.db2.gz FYXUKDXOLRZXHV-SWLSCSKDSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001133869524 765195524 /nfs/dbraw/zinc/19/55/24/765195524.db2.gz FYXUKDXOLRZXHV-SWLSCSKDSA-N 1 3 318.421 0.189 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc2nonc2c1)N(C)C ZINC001133965655 765259265 /nfs/dbraw/zinc/25/92/65/765259265.db2.gz DDUUGOFWMCMTQH-AWEZNQCLSA-N 1 3 305.382 0.769 20 0 DCADHO CC[C@H](F)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020438 765289742 /nfs/dbraw/zinc/28/97/42/765289742.db2.gz AQGROSJOPHSBHK-KGLIPLIRSA-N 1 3 303.422 0.941 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)C1(N(C)C)CCC1 ZINC001134583817 765580730 /nfs/dbraw/zinc/58/07/30/765580730.db2.gz OSXHPZZQUNFXPP-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)CN(C)C1CCC1 ZINC001134612945 765590616 /nfs/dbraw/zinc/59/06/16/765590616.db2.gz RBVOKWLGKAWQTB-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO OC[C@@H]1C[NH2+]C[C@H]1Nc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001170778996 765730556 /nfs/dbraw/zinc/73/05/56/765730556.db2.gz ONFMHQISGDTMHV-BFHYXJOUSA-N 1 3 303.410 0.278 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC001135512922 765966521 /nfs/dbraw/zinc/96/65/21/765966521.db2.gz BOFQTHLGHHAKLL-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC001135743470 766085254 /nfs/dbraw/zinc/08/52/54/766085254.db2.gz LCAZIMZDMVWCKY-ZIAGYGMSSA-N 1 3 314.474 0.679 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001135744124 766086719 /nfs/dbraw/zinc/08/67/19/766086719.db2.gz WDOYEHZJYPYYFL-OLZOCXBDSA-N 1 3 321.487 0.246 20 0 DCADHO CN1CCN(C(=O)c2cccc(N[C@@H](N)CCC[NH3+])c2)CC1 ZINC001170902893 766250729 /nfs/dbraw/zinc/25/07/29/766250729.db2.gz GZZNGWOQAZRSOP-OAHLLOKOSA-N 1 3 305.426 0.510 20 0 DCADHO CCOC(=O)CN(CC[NH3+])c1cnccc1N1CCOCC1 ZINC001170995803 766385737 /nfs/dbraw/zinc/38/57/37/766385737.db2.gz WICIHJRYMWNUSD-UHFFFAOYSA-N 1 3 308.382 0.246 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001119296882 766628714 /nfs/dbraw/zinc/62/87/14/766628714.db2.gz HALKBZYBOWQQRD-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N1CCCCC1 ZINC001119341694 766638279 /nfs/dbraw/zinc/63/82/79/766638279.db2.gz DFBXCPVBYBMNDZ-JKIFEVAISA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)[NH2+]C1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001091151221 766961966 /nfs/dbraw/zinc/96/19/66/766961966.db2.gz RBPITDAHCGGDJP-UZZMVUAXSA-N 1 3 307.438 0.742 20 0 DCADHO CCn1nncc1CNCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171215380 767018787 /nfs/dbraw/zinc/01/87/87/767018787.db2.gz BMVPUNWQBFMBNN-CYBMUJFWSA-N 1 3 308.430 0.236 20 0 DCADHO CCn1nncc1CNCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171215380 767018797 /nfs/dbraw/zinc/01/87/97/767018797.db2.gz BMVPUNWQBFMBNN-CYBMUJFWSA-N 1 3 308.430 0.236 20 0 DCADHO CN(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCCO)C2)C1CC1 ZINC001121245412 767480371 /nfs/dbraw/zinc/48/03/71/767480371.db2.gz FLRPSLVMYFCGKU-UKEPKTAJSA-N 1 3 309.454 0.726 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(=O)NC)C2)N(C)C ZINC001121302262 767503943 /nfs/dbraw/zinc/50/39/43/767503943.db2.gz VEBNDXCJFLHAAH-JEJCEMRNSA-N 1 3 324.469 0.478 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001121951624 767680236 /nfs/dbraw/zinc/68/02/36/767680236.db2.gz GDFGRQAXLGQRFC-UHFFFAOYSA-N 1 3 323.437 0.662 20 0 DCADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CNCC[NH3+])cc1 ZINC001121979205 767687575 /nfs/dbraw/zinc/68/75/75/767687575.db2.gz QRJAMJFEVJVGEZ-INIZCTEOSA-N 1 3 320.437 0.497 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)C[C@@H](C)O1 ZINC001121987911 767690900 /nfs/dbraw/zinc/69/09/00/767690900.db2.gz DYWTURGNOMIEFJ-SUJAAXHWSA-N 1 3 309.454 0.848 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001122243006 767749709 /nfs/dbraw/zinc/74/97/09/767749709.db2.gz VPBIKXHNLDGOQS-KWDKGFIESA-N 1 3 310.442 0.217 20 0 DCADHO C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847407 768881545 /nfs/dbraw/zinc/88/15/45/768881545.db2.gz FSEOPPVAHGBLIB-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847407 768881556 /nfs/dbraw/zinc/88/15/56/768881556.db2.gz FSEOPPVAHGBLIB-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO CN(CC(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1)C1CCC1 ZINC001149854967 768884868 /nfs/dbraw/zinc/88/48/68/768884868.db2.gz RYOBVNHFMXTQFN-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO CN(CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1)C1CCC1 ZINC001149854967 768884882 /nfs/dbraw/zinc/88/48/82/768884882.db2.gz RYOBVNHFMXTQFN-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CN(CCCF)CCCO1 ZINC001150192910 769033203 /nfs/dbraw/zinc/03/32/03/769033203.db2.gz JVGPJKUEFJMTEL-AWEZNQCLSA-N 1 3 303.422 0.895 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)OC)CCCO1 ZINC001150619597 769142316 /nfs/dbraw/zinc/14/23/16/769142316.db2.gz BZAUXTZWQHISEV-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)OC)CCCO1 ZINC001150619597 769142322 /nfs/dbraw/zinc/14/23/22/769142322.db2.gz BZAUXTZWQHISEV-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(CCC[NH+]1CCCC1)NC[C@@H]1CN(CCO)CCCO1 ZINC001150761629 769180284 /nfs/dbraw/zinc/18/02/84/769180284.db2.gz QQLSUGGZBGSSOF-OAHLLOKOSA-N 1 3 313.442 0.062 20 0 DCADHO CN(C)c1ccccc1CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049492 769245595 /nfs/dbraw/zinc/24/55/95/769245595.db2.gz QOHNOEDTJYFWSW-OAHLLOKOSA-N 1 3 304.438 0.910 20 0 DCADHO CN(C)c1ccccc1CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049492 769245599 /nfs/dbraw/zinc/24/55/99/769245599.db2.gz QOHNOEDTJYFWSW-OAHLLOKOSA-N 1 3 304.438 0.910 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCCCC1 ZINC001151073286 769252199 /nfs/dbraw/zinc/25/21/99/769252199.db2.gz IKRNZIPKXJJNFV-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCCCC1 ZINC001151073286 769252205 /nfs/dbraw/zinc/25/22/05/769252205.db2.gz IKRNZIPKXJJNFV-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)N(C)C)N(C)C ZINC001171508429 769311668 /nfs/dbraw/zinc/31/16/68/769311668.db2.gz DNVJPFNDDNNMAQ-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO COc1ccc2[nH]c(C(=O)N(CCCC[NH3+])C(=N)N)cc2n1 ZINC001151624461 769382714 /nfs/dbraw/zinc/38/27/14/769382714.db2.gz LLLSLLLDXDKYJH-UHFFFAOYSA-N 1 3 304.354 0.646 20 0 DCADHO CC(C)N1CC[C@@H](NCCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152238168 769514415 /nfs/dbraw/zinc/51/44/15/769514415.db2.gz ZQJPOFQHICOPFV-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO CNC(=O)[C@@H](C)NCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152383593 769540020 /nfs/dbraw/zinc/54/00/20/769540020.db2.gz HTPJFEAXPXHIJT-GFCCVEGCSA-N 1 3 306.410 0.202 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001152433238 769555553 /nfs/dbraw/zinc/55/55/53/769555553.db2.gz YWHLECZFPFJBDX-CYBMUJFWSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446273 769560540 /nfs/dbraw/zinc/56/05/40/769560540.db2.gz WBCNWFLSHRLZIO-QWHCGFSZSA-N 1 3 300.447 0.336 20 0 DCADHO [NH3+]C[C@@H](O)CNC1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173458377 769636234 /nfs/dbraw/zinc/63/62/34/769636234.db2.gz NKWJKSDJBDYKQO-MRXNPFEDSA-N 1 3 321.421 0.103 20 0 DCADHO Cc1ncoc1CNC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349521 769738195 /nfs/dbraw/zinc/73/81/95/769738195.db2.gz RKWZQJUGFJPIHK-UHFFFAOYSA-N 1 3 324.425 0.642 20 0 DCADHO c1cc(CN2C[C@H]3CNC[C@@H](C2)O3)cc(N2CC[NH2+]CC2)c1 ZINC001235339201 769818834 /nfs/dbraw/zinc/81/88/34/769818834.db2.gz SGJKFLIGPUAXBR-CALCHBBNSA-N 1 3 302.422 0.269 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCCCCO)CC2 ZINC001235490677 769859029 /nfs/dbraw/zinc/85/90/29/769859029.db2.gz YEMGLFJDPMKTJD-UHFFFAOYSA-N 1 3 321.465 0.973 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCCCCO)CC2 ZINC001235490677 769859040 /nfs/dbraw/zinc/85/90/40/769859040.db2.gz YEMGLFJDPMKTJD-UHFFFAOYSA-N 1 3 321.465 0.973 20 0 DCADHO C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1CCCC[NH3+] ZINC001235616232 769914201 /nfs/dbraw/zinc/91/42/01/769914201.db2.gz SIZYDJGSISAORN-HNNXBMFYSA-N 1 3 320.485 0.746 20 0 DCADHO COC(=O)C[C@@H]1CNCC[N@@H+]1C[C@H]1[C@H](C)CNCC1(F)F ZINC001235844719 769950280 /nfs/dbraw/zinc/95/02/80/769950280.db2.gz AWKLKXYAQUMIDT-UTUOFQBUSA-N 1 3 305.369 0.314 20 0 DCADHO COC(=O)C[C@@H]1CNCC[N@H+]1C[C@H]1[C@H](C)CNCC1(F)F ZINC001235844719 769950288 /nfs/dbraw/zinc/95/02/88/769950288.db2.gz AWKLKXYAQUMIDT-UTUOFQBUSA-N 1 3 305.369 0.314 20 0 DCADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(Cc3cc(C)n[nH]3)C[C@H]1C2 ZINC001236021117 769968774 /nfs/dbraw/zinc/96/87/74/769968774.db2.gz CZYCWOZOWHUONH-UJDVCPFMSA-N 1 3 304.394 0.549 20 0 DCADHO CCOC(=O)[C@]12C[N@H+](Cc3cc[nH]c(=O)c3)C[C@H]1CNCC2 ZINC001236039098 769972191 /nfs/dbraw/zinc/97/21/91/769972191.db2.gz QXRHXQLVMMYEPG-CZUORRHYSA-N 1 3 305.378 0.762 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+](Cc3cc[nH]c(=O)c3)C[C@H]1CNCC2 ZINC001236039098 769972195 /nfs/dbraw/zinc/97/21/95/769972195.db2.gz QXRHXQLVMMYEPG-CZUORRHYSA-N 1 3 305.378 0.762 20 0 DCADHO NC(=S)C1CCN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC1 ZINC001236181169 769981269 /nfs/dbraw/zinc/98/12/69/769981269.db2.gz VKUJNTBYCRUSRV-UHFFFAOYSA-N 1 3 319.478 0.989 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)N(C)C ZINC001176284765 770061943 /nfs/dbraw/zinc/06/19/43/770061943.db2.gz JXOGNDSEKRPTPK-CQSZACIVSA-N 1 3 314.474 0.681 20 0 DCADHO O=S(=O)([N-]c1ccccc1CN1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001237955987 770088935 /nfs/dbraw/zinc/08/89/35/770088935.db2.gz QWTVFKWKMQHRLL-CQSZACIVSA-N 1 3 324.450 0.195 20 0 DCADHO CC[C@H]([NH2+]CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001176352162 770091029 /nfs/dbraw/zinc/09/10/29/770091029.db2.gz ZSUZYJVRZKHDAN-YPMHNXCESA-N 1 3 323.441 0.789 20 0 DCADHO O=S(=O)(CC1CC[NH2+]CC1)NCCNCc1ccccc1 ZINC001238369140 770114054 /nfs/dbraw/zinc/11/40/54/770114054.db2.gz XCSPGJCVDIRSOQ-UHFFFAOYSA-N 1 3 311.451 0.695 20 0 DCADHO NCCS(=O)(=O)NC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001238832266 770134063 /nfs/dbraw/zinc/13/40/63/770134063.db2.gz QPNZQWKXEAUXGK-UHFFFAOYSA-N 1 3 315.414 0.369 20 0 DCADHO CN1CCC2(CN(S(=O)(=O)CC3CC[NH2+]CC3)C2)CC1 ZINC001239114059 770186368 /nfs/dbraw/zinc/18/63/68/770186368.db2.gz SQKLTHMBSCMUAM-UHFFFAOYSA-N 1 3 301.456 0.343 20 0 DCADHO C[C@@H]([NH2+]CCCNC(=O)c1ccccc1CN(C)C)C(N)=O ZINC001176948199 770250799 /nfs/dbraw/zinc/25/07/99/770250799.db2.gz KFNAFVLERNZQIT-GFCCVEGCSA-N 1 3 306.410 0.332 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001176992208 770281984 /nfs/dbraw/zinc/28/19/84/770281984.db2.gz JOAOGIHDJCYQBU-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCO[C@H](CNc2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC001155197721 770427354 /nfs/dbraw/zinc/42/73/54/770427354.db2.gz RDLYNTNGSHBRAW-CQSZACIVSA-N 1 3 305.426 0.576 20 0 DCADHO c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)nc(N2CCOCC2)c1 ZINC001155515634 770531476 /nfs/dbraw/zinc/53/14/76/770531476.db2.gz GMGRPODKRYSCRI-BBRMVZONSA-N 1 3 304.394 0.566 20 0 DCADHO c1c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nnc2c1CNCC2 ZINC001155600440 770560594 /nfs/dbraw/zinc/56/05/94/770560594.db2.gz VNSBWBTWCHXSDU-WBMJQRKESA-N 1 3 303.410 0.693 20 0 DCADHO [NH3+]C1CCN(c2ccnc(N[C@H]3CN4CCC3CC4)n2)CC1 ZINC001155668014 770585076 /nfs/dbraw/zinc/58/50/76/770585076.db2.gz RLNLAHKMNJXMFD-AWEZNQCLSA-N 1 3 302.426 0.910 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001178357142 770731943 /nfs/dbraw/zinc/73/19/43/770731943.db2.gz XDSDCXBSYSNFCL-AEGPPILISA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCOCC(F)F)CCN1C(=O)[C@H]1CCCN1C ZINC001178360477 770733919 /nfs/dbraw/zinc/73/39/19/770733919.db2.gz NMYRYORXXIZOFR-RWMBFGLXSA-N 1 3 319.396 0.941 20 0 DCADHO C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001178698395 770841470 /nfs/dbraw/zinc/84/14/70/770841470.db2.gz GCGUOAOGLPNWMP-TZMCWYRMSA-N 1 3 312.458 0.467 20 0 DCADHO Cn1nncc1CN[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359064 770988391 /nfs/dbraw/zinc/98/83/91/770988391.db2.gz NMHGRGRSDMRKQK-KGLIPLIRSA-N 1 3 320.441 0.284 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001179983306 771044076 /nfs/dbraw/zinc/04/40/76/771044076.db2.gz VDTSHHOWMJMAOU-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)CN1CCCC1 ZINC001180131842 771060960 /nfs/dbraw/zinc/06/09/60/771060960.db2.gz NUJVPJGFLKVMBU-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124680 771066413 /nfs/dbraw/zinc/06/64/13/771066413.db2.gz MHARHDRODRLFMS-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124680 771066416 /nfs/dbraw/zinc/06/64/16/771066416.db2.gz MHARHDRODRLFMS-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001180204470 771073745 /nfs/dbraw/zinc/07/37/45/771073745.db2.gz TXTLGWXRIDNNRN-ILXRZTDVSA-N 1 3 324.469 0.576 20 0 DCADHO CCOC(=O)C(C)(C)C(=O)N(CCN(CC)CC)C(N)=[NH2+] ZINC001181058490 771222722 /nfs/dbraw/zinc/22/27/22/771222722.db2.gz LTMMNCMELMAAOF-UHFFFAOYSA-N 1 3 300.403 0.640 20 0 DCADHO c1cnc(N(c2ncc3c(n2)CCNC3)C2CC[NH2+]CC2)cn1 ZINC001157537365 771627939 /nfs/dbraw/zinc/62/79/39/771627939.db2.gz FPSGBQOMAPVGTD-UHFFFAOYSA-N 1 3 311.393 0.802 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183392002 771643265 /nfs/dbraw/zinc/64/32/65/771643265.db2.gz VHHDAWZWPHQTLU-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183392002 771643267 /nfs/dbraw/zinc/64/32/67/771643267.db2.gz VHHDAWZWPHQTLU-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@]1(N)CCc2cc(F)ccc2C1 ZINC001157720568 771658587 /nfs/dbraw/zinc/65/85/87/771658587.db2.gz LVYPWOQFZOOUNP-WBVHZDCISA-N 1 3 321.396 0.459 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001183590252 771672042 /nfs/dbraw/zinc/67/20/42/771672042.db2.gz AOIUNLVEXBRRAE-BFHYXJOUSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183648730 771675642 /nfs/dbraw/zinc/67/56/42/771675642.db2.gz YLMSKKJGZVUGOW-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001183647760 771675871 /nfs/dbraw/zinc/67/58/71/771675871.db2.gz KEUSOTBPMRBYAO-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001157841516 771679042 /nfs/dbraw/zinc/67/90/42/771679042.db2.gz GGGKWAMPMGRSIM-XQQFMLRXSA-N 1 3 313.442 0.892 20 0 DCADHO O=C([C@H]1CC[C@]2(C1)CNCCO2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170192 771733705 /nfs/dbraw/zinc/73/37/05/771733705.db2.gz WRQZTRHSQDWAEO-YOEHRIQHSA-N 1 3 307.438 0.890 20 0 DCADHO Cc1oncc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197179 771739129 /nfs/dbraw/zinc/73/91/29/771739129.db2.gz SCAOQRHWTXAEFD-HNNXBMFYSA-N 1 3 306.410 0.921 20 0 DCADHO NC(=O)CC[C@H]([NH3+])CC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158337596 771761838 /nfs/dbraw/zinc/76/18/38/771761838.db2.gz YLBWRQGBRUDCSG-AEGPPILISA-N 1 3 316.405 0.067 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158421594 771771892 /nfs/dbraw/zinc/77/18/92/771771892.db2.gz YCAHORLIRHMQCZ-TZMCWYRMSA-N 1 3 308.430 0.234 20 0 DCADHO CCn1nncc1CNCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158421594 771771895 /nfs/dbraw/zinc/77/18/95/771771895.db2.gz YCAHORLIRHMQCZ-TZMCWYRMSA-N 1 3 308.430 0.234 20 0 DCADHO N[C@]1(C(=O)N2CCC[C@@H]3[NH2+]C[C@H]32)CCc2cc(F)ccc2C1 ZINC001158422386 771772078 /nfs/dbraw/zinc/77/20/78/771772078.db2.gz KTAXEGLAUGUCJK-ZMSDIMECSA-N 1 3 303.381 0.975 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001185249132 771888272 /nfs/dbraw/zinc/88/82/72/771888272.db2.gz PIUZDPSAIXNLNP-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCNCc1nccn1C ZINC001159329122 771897595 /nfs/dbraw/zinc/89/75/95/771897595.db2.gz YTSDLFBLWAGGSC-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCNCc1nccn1C ZINC001159329122 771897598 /nfs/dbraw/zinc/89/75/98/771897598.db2.gz YTSDLFBLWAGGSC-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC)[C@@H](C)C1 ZINC001185340525 771907674 /nfs/dbraw/zinc/90/76/74/771907674.db2.gz ZERHTQXLYGUHNX-UONOGXRCSA-N 1 3 312.458 0.148 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659564 771941662 /nfs/dbraw/zinc/94/16/62/771941662.db2.gz KLDUECCTOJYRQC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659564 771941665 /nfs/dbraw/zinc/94/16/65/771941665.db2.gz KLDUECCTOJYRQC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)CC(C)(C)C ZINC001185724249 771950273 /nfs/dbraw/zinc/95/02/73/771950273.db2.gz WGNUZZISDJLTNM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)CC(C)(C)C ZINC001185731281 771950966 /nfs/dbraw/zinc/95/09/66/771950966.db2.gz PCOODYKSQMSGCS-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO N[C@@H](CCC[NH3+])NC(F)(F)c1nc(Cl)nc2[nH]cnc21 ZINC001159787160 771958222 /nfs/dbraw/zinc/95/82/22/771958222.db2.gz SHMMVWBNGRZZPS-RXMQYKEDSA-N 1 3 305.720 0.621 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001185917427 771975795 /nfs/dbraw/zinc/97/57/95/771975795.db2.gz ALNQCOOQDWLCSO-KOLCDFICSA-N 1 3 320.315 0.456 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001185926596 771976739 /nfs/dbraw/zinc/97/67/39/771976739.db2.gz XWYGLDGXKHIGBM-ZYHUDNBSSA-N 1 3 314.336 0.567 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCc2ncnn21)C1CC1 ZINC001159931565 771979779 /nfs/dbraw/zinc/97/97/79/771979779.db2.gz FKFUVRHTDHTJEC-DZGCQCFKSA-N 1 3 320.441 0.202 20 0 DCADHO CC(=O)N1CCCC[C@]12CCN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001160421182 772034735 /nfs/dbraw/zinc/03/47/35/772034735.db2.gz AWSIKDKYMMJHOX-DOTOQJQBSA-N 1 3 322.453 0.317 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001186452500 772042260 /nfs/dbraw/zinc/04/22/60/772042260.db2.gz QKXVTBXBPWJIQT-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC)C1)C(C)C ZINC001186428603 772043851 /nfs/dbraw/zinc/04/38/51/772043851.db2.gz SDGPHRKZXCSWIS-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO O=C(N1CCC[C@H]1Cc1ccccn1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160546198 772063009 /nfs/dbraw/zinc/06/30/09/772063009.db2.gz WFNAGXOSENENEV-UWWQBHOKSA-N 1 3 314.433 0.814 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160695259 772097861 /nfs/dbraw/zinc/09/78/61/772097861.db2.gz KBXBJXLUBKFUON-OLZOCXBDSA-N 1 3 313.442 0.764 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC(n2cnnc2)CC1 ZINC001160718175 772102027 /nfs/dbraw/zinc/10/20/27/772102027.db2.gz CPVHMSIUHDSIRX-CQSZACIVSA-N 1 3 318.425 0.316 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC(n2cnnc2)CC1 ZINC001160718175 772102030 /nfs/dbraw/zinc/10/20/30/772102030.db2.gz CPVHMSIUHDSIRX-CQSZACIVSA-N 1 3 318.425 0.316 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2nccn2CC1 ZINC001160760297 772107803 /nfs/dbraw/zinc/10/78/03/772107803.db2.gz JSNIOJBHOWCQCK-CYBMUJFWSA-N 1 3 303.410 0.142 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2nccn2CC1 ZINC001160760297 772107805 /nfs/dbraw/zinc/10/78/05/772107805.db2.gz JSNIOJBHOWCQCK-CYBMUJFWSA-N 1 3 303.410 0.142 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2nccn2CC1 ZINC001160760299 772108119 /nfs/dbraw/zinc/10/81/19/772108119.db2.gz JSNIOJBHOWCQCK-ZDUSSCGKSA-N 1 3 303.410 0.142 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2nccn2CC1 ZINC001160760299 772108122 /nfs/dbraw/zinc/10/81/22/772108122.db2.gz JSNIOJBHOWCQCK-ZDUSSCGKSA-N 1 3 303.410 0.142 20 0 DCADHO CCOC(=O)c1coc2c1CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001160761224 772108184 /nfs/dbraw/zinc/10/81/84/772108184.db2.gz DTSQJBIILYTLJP-CQSZACIVSA-N 1 3 321.377 0.625 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187083480 772134676 /nfs/dbraw/zinc/13/46/76/772134676.db2.gz JUXWUDQKJSSURC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187083480 772134678 /nfs/dbraw/zinc/13/46/78/772134678.db2.gz JUXWUDQKJSSURC-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C)C(=O)N1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160948331 772141261 /nfs/dbraw/zinc/14/12/61/772141261.db2.gz LUNDMHNDNSCOCF-CYBMUJFWSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001187284262 772160907 /nfs/dbraw/zinc/16/09/07/772160907.db2.gz MPXZBIPAPKRYST-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO NC[C@H](N)C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090282 772166497 /nfs/dbraw/zinc/16/64/97/772166497.db2.gz KNUMVVWZTASMMY-ZDUSSCGKSA-N 1 3 314.393 0.001 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001187306110 772172248 /nfs/dbraw/zinc/17/22/48/772172248.db2.gz DAGUFOUEGHGZQM-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001187306110 772172255 /nfs/dbraw/zinc/17/22/55/772172255.db2.gz DAGUFOUEGHGZQM-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001161470783 772228942 /nfs/dbraw/zinc/22/89/42/772228942.db2.gz KFLICUCTEKQRPC-RYUDHWBXSA-N 1 3 304.385 0.385 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001187842483 772233108 /nfs/dbraw/zinc/23/31/08/772233108.db2.gz NSTZVBPGHGDNGJ-NEPJUHHUSA-N 1 3 323.359 0.586 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CCCO)C2)c1 ZINC001188085519 772264011 /nfs/dbraw/zinc/26/40/11/772264011.db2.gz OEJODEQQMCFYHJ-MRXNPFEDSA-N 1 3 305.422 0.935 20 0 DCADHO CCOCCN1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971215 772393459 /nfs/dbraw/zinc/39/34/59/772393459.db2.gz RAQWIGFYYUYGQO-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1ccc(Cn2cncn2)cn1 ZINC001163128393 772468722 /nfs/dbraw/zinc/46/87/22/772468722.db2.gz JPYZVLCEJKYACQ-UHFFFAOYSA-N 1 3 316.413 0.999 20 0 DCADHO CC[NH+](CC)CCNC(=N)Nc1ncccc1C(=O)N(C)OC ZINC001163129408 772468982 /nfs/dbraw/zinc/46/89/82/772468982.db2.gz WSVGUANWVCRQDE-UHFFFAOYSA-N 1 3 322.413 0.993 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001163822270 772578365 /nfs/dbraw/zinc/57/83/65/772578365.db2.gz XILGQPYHEFFVPX-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CCN(c2ccc(N(CC[NH3+])CCO)cn2)CC1 ZINC001163832280 772579288 /nfs/dbraw/zinc/57/92/88/772579288.db2.gz KSZQHVHKVBVINT-UHFFFAOYSA-N 1 3 307.442 0.369 20 0 DCADHO CC(C)OCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149438 772591079 /nfs/dbraw/zinc/59/10/79/772591079.db2.gz ZATGBLFGZPIQRG-HRCADAONSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)OCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149438 772591084 /nfs/dbraw/zinc/59/10/84/772591084.db2.gz ZATGBLFGZPIQRG-HRCADAONSA-N 1 3 309.454 0.896 20 0 DCADHO Cc1cc(CN)nn1-c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001163985145 772601840 /nfs/dbraw/zinc/60/18/40/772601840.db2.gz JNFQZCSONZSOIS-HNNXBMFYSA-N 1 3 311.389 0.790 20 0 DCADHO CN(c1ccc([C@@H]2CCCCN2C)cn1)S(=O)(=O)CC[NH3+] ZINC001164292275 772638437 /nfs/dbraw/zinc/63/84/37/772638437.db2.gz IFNIDHHGZATLEN-ZDUSSCGKSA-N 1 3 312.439 0.963 20 0 DCADHO COc1ccc(CNCCCNC(=O)C2(C[NH+](C)C)CC2)nn1 ZINC001165253851 772711223 /nfs/dbraw/zinc/71/12/23/772711223.db2.gz IWPYDEFBFVIRHJ-UHFFFAOYSA-N 1 3 321.425 0.423 20 0 DCADHO Cc1cc(CNCCCNC(=O)C2(C[NH+](C)C)CC2)ncn1 ZINC001165263662 772712918 /nfs/dbraw/zinc/71/29/18/772712918.db2.gz SYSJZFJDOJQWQZ-UHFFFAOYSA-N 1 3 305.426 0.723 20 0 DCADHO CNC(=O)C[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165501464 772743556 /nfs/dbraw/zinc/74/35/56/772743556.db2.gz JRIPHQAKDRCJNS-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F ZINC001166627090 772830959 /nfs/dbraw/zinc/83/09/59/772830959.db2.gz PSALGAMNAVZKBR-OLZOCXBDSA-N 1 3 319.396 0.991 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cn1 ZINC001166627419 772831107 /nfs/dbraw/zinc/83/11/07/772831107.db2.gz VHBWHKZYPJENCL-CYBMUJFWSA-N 1 3 305.426 0.865 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667481 772836456 /nfs/dbraw/zinc/83/64/56/772836456.db2.gz BTKDIVKUCLAODS-ZDUSSCGKSA-N 1 3 322.457 0.544 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)CN2CC[C@H](C)C2)C1=O ZINC001166678113 772839378 /nfs/dbraw/zinc/83/93/78/772839378.db2.gz SCAPDWSJODKPLJ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001166707305 772845686 /nfs/dbraw/zinc/84/56/86/772845686.db2.gz FJSXLPPFEZVFRL-TZMCWYRMSA-N 1 3 321.425 0.279 20 0 DCADHO COc1nccc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001166707305 772845689 /nfs/dbraw/zinc/84/56/89/772845689.db2.gz FJSXLPPFEZVFRL-TZMCWYRMSA-N 1 3 321.425 0.279 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCOCCO)CC(C)(C)C ZINC001166743996 772855066 /nfs/dbraw/zinc/85/50/66/772855066.db2.gz CIBQTFDFPJBMFH-UHFFFAOYSA-N 1 3 303.447 0.069 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCCCCn1cncn1)N(C)C ZINC001166851918 772870824 /nfs/dbraw/zinc/87/08/24/772870824.db2.gz KPHWVLUBNYJXOF-HNNXBMFYSA-N 1 3 324.473 0.885 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccnc(OC)n1)N(C)C ZINC001166858277 772871501 /nfs/dbraw/zinc/87/15/01/772871501.db2.gz NUGWOLPNCMYGNC-ZDUSSCGKSA-N 1 3 309.414 0.421 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203652088 772917999 /nfs/dbraw/zinc/91/79/99/772917999.db2.gz RKKPIYIIVLONCN-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001205457929 772993860 /nfs/dbraw/zinc/99/38/60/772993860.db2.gz XOPUDXNTNLYPQM-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469567 772994523 /nfs/dbraw/zinc/99/45/23/772994523.db2.gz MPXPZEBBMWKWSK-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCN2CCCC2=O)C1 ZINC001193279710 773037703 /nfs/dbraw/zinc/03/77/03/773037703.db2.gz RBIOHIBCJCHMPD-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCN2CCCC2=O)C1 ZINC001193279710 773037708 /nfs/dbraw/zinc/03/77/08/773037708.db2.gz RBIOHIBCJCHMPD-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001206890236 773121936 /nfs/dbraw/zinc/12/19/36/773121936.db2.gz HPJPRLJGNVRPSX-UHFFFAOYSA-N 1 3 322.457 0.448 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)C(=O)N(C)C ZINC001206929161 773137319 /nfs/dbraw/zinc/13/73/19/773137319.db2.gz XDNOGFQAVSQCRA-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCOCC1CC1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194011320 773138411 /nfs/dbraw/zinc/13/84/11/773138411.db2.gz RNLDZCOLTHRCPO-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO CN(CCOCC1CC1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194011320 773138413 /nfs/dbraw/zinc/13/84/13/773138413.db2.gz RNLDZCOLTHRCPO-JKSUJKDBSA-N 1 3 309.454 0.897 20 0 DCADHO C[NH+]1CCC(CN2CCN(CCN3CCOCC3)CC2)CC1 ZINC001207398314 773199241 /nfs/dbraw/zinc/19/92/41/773199241.db2.gz HDKFKDURSOERRF-UHFFFAOYSA-N 1 3 310.486 0.278 20 0 DCADHO C[NH+]1CCC(CN2C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001207399030 773199877 /nfs/dbraw/zinc/19/98/77/773199877.db2.gz WCCUNKJVSJQYJB-UONOGXRCSA-N 1 3 313.442 0.898 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C[C@H]1CCCO1)CC2 ZINC001207851288 773316809 /nfs/dbraw/zinc/31/68/09/773316809.db2.gz WNAZUAXHPUZZKB-MRXNPFEDSA-N 1 3 319.449 0.990 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C[C@H]1CCCO1)CC2 ZINC001207851288 773316816 /nfs/dbraw/zinc/31/68/16/773316816.db2.gz WNAZUAXHPUZZKB-MRXNPFEDSA-N 1 3 319.449 0.990 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)CCC1 ZINC001208328826 773433707 /nfs/dbraw/zinc/43/37/07/773433707.db2.gz IRAJQKMOMLWDMX-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331258 773436151 /nfs/dbraw/zinc/43/61/51/773436151.db2.gz OUKPZBWZTVZJSY-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331258 773436152 /nfs/dbraw/zinc/43/61/52/773436152.db2.gz OUKPZBWZTVZJSY-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208339530 773436671 /nfs/dbraw/zinc/43/66/71/773436671.db2.gz BDGONUHNTACTFK-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001208410746 773455532 /nfs/dbraw/zinc/45/55/32/773455532.db2.gz DDRMRMMGPMGPMY-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208445021 773463495 /nfs/dbraw/zinc/46/34/95/773463495.db2.gz OJKNTQDCEMRWSC-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CN1CC[C@H](N[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001209323925 773592468 /nfs/dbraw/zinc/59/24/68/773592468.db2.gz NKAHSKPJZLHSQY-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209456268 773607102 /nfs/dbraw/zinc/60/71/02/773607102.db2.gz YKAXDVVMXDQWLP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001210218904 773685620 /nfs/dbraw/zinc/68/56/20/773685620.db2.gz RCLGYCULQGZKDQ-AWEZNQCLSA-N 1 3 308.430 0.201 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001210217385 773686577 /nfs/dbraw/zinc/68/65/77/773686577.db2.gz HWUFIVQVLRHUNE-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001210428063 773708815 /nfs/dbraw/zinc/70/88/15/773708815.db2.gz LUKSPQFNQFHHNA-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673970 773728981 /nfs/dbraw/zinc/72/89/81/773728981.db2.gz KRGOVRSSIOZUTI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673970 773728983 /nfs/dbraw/zinc/72/89/83/773728983.db2.gz KRGOVRSSIOZUTI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCOCCOC)C1 ZINC001210811153 773741950 /nfs/dbraw/zinc/74/19/50/773741950.db2.gz KIBWAGYFAFKPPE-HNNXBMFYSA-N 1 3 315.458 0.572 20 0 DCADHO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001211039157 773762693 /nfs/dbraw/zinc/76/26/93/773762693.db2.gz OZLBVKFFEWFILA-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001211039157 773762696 /nfs/dbraw/zinc/76/26/96/773762696.db2.gz OZLBVKFFEWFILA-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039157 773762698 /nfs/dbraw/zinc/76/26/98/773762698.db2.gz OZLBVKFFEWFILA-RBSFLKMASA-N 1 3 324.469 0.563 20 0 DCADHO CN(C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001211065735 773766404 /nfs/dbraw/zinc/76/64/04/773766404.db2.gz YZYOFSZIPWQCHL-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001211065735 773766409 /nfs/dbraw/zinc/76/64/09/773766409.db2.gz YZYOFSZIPWQCHL-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229401 773783416 /nfs/dbraw/zinc/78/34/16/773783416.db2.gz UIAIQWQDCLIKOS-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO COCCOCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211275697 773788760 /nfs/dbraw/zinc/78/87/60/773788760.db2.gz AZDJGELOFKUSMU-OAHLLOKOSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H](NCCNC(=O)c1ccccc1C[NH+](C)C)C(=O)N(C)C ZINC001152383637 773839143 /nfs/dbraw/zinc/83/91/43/773839143.db2.gz JBPPKOOPDJGOLC-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cnnn2C)C1 ZINC001215001251 774031992 /nfs/dbraw/zinc/03/19/92/774031992.db2.gz AXSNCFMAEKIHMC-TZMCWYRMSA-N 1 3 322.457 0.482 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cnnn2C)C1 ZINC001215001251 774032000 /nfs/dbraw/zinc/03/20/00/774032000.db2.gz AXSNCFMAEKIHMC-TZMCWYRMSA-N 1 3 322.457 0.482 20 0 DCADHO Cc1ncc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cn1 ZINC001215461030 774074725 /nfs/dbraw/zinc/07/47/25/774074725.db2.gz OIZCCJLSDKNKJK-IUODEOHRSA-N 1 3 305.426 0.673 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1)[NH+](CC)CC ZINC001215518796 774081026 /nfs/dbraw/zinc/08/10/26/774081026.db2.gz MPYAPAPIISXRFV-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001216506158 774120550 /nfs/dbraw/zinc/12/05/50/774120550.db2.gz CPPVDDZEANHKRB-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001216506158 774120555 /nfs/dbraw/zinc/12/05/55/774120555.db2.gz CPPVDDZEANHKRB-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)C1=O ZINC001216851771 774143097 /nfs/dbraw/zinc/14/30/97/774143097.db2.gz HXBXTIDXHHCJBC-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(OC2CC3(C[NH2+]C3)C2)c1 ZINC001218058150 774210937 /nfs/dbraw/zinc/21/09/37/774210937.db2.gz ISBCTSVHJYNIOW-ZDUSSCGKSA-N 1 3 319.405 0.481 20 0 DCADHO c1cc(O[C@H]2CCOC3(C[NH2+]C3)C2)n2nc3c(c2n1)CNCC3 ZINC001218089545 774212028 /nfs/dbraw/zinc/21/20/28/774212028.db2.gz UGVMOCDOFXHJLF-NSHDSACASA-N 1 3 315.377 0.275 20 0 DCADHO c1ccc(N2CC[NH2+]CC2)c(O[C@H]2CC[C@@H]3NCCO[C@@H]32)c1 ZINC001218120839 774213103 /nfs/dbraw/zinc/21/31/03/774213103.db2.gz VUWRFTJHHJQCMV-JQFCIGGWSA-N 1 3 303.406 0.994 20 0 DCADHO Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)on1 ZINC001218502471 774230571 /nfs/dbraw/zinc/23/05/71/774230571.db2.gz ZGVCOXABFLNIIX-FZMZJTMJSA-N 1 3 306.410 0.904 20 0 DCADHO Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)on1 ZINC001218502471 774230574 /nfs/dbraw/zinc/23/05/74/774230574.db2.gz ZGVCOXABFLNIIX-FZMZJTMJSA-N 1 3 306.410 0.904 20 0 DCADHO N[C@H](C(=O)Nc1nnc(Br)s1)C1CC[NH2+]CC1 ZINC001218511515 774232409 /nfs/dbraw/zinc/23/24/09/774232409.db2.gz QURIOJWGVGLNIN-LURJTMIESA-N 1 3 320.216 0.566 20 0 DCADHO CCOC(=O)c1c(C)csc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218532652 774239269 /nfs/dbraw/zinc/23/92/69/774239269.db2.gz RZLQMAGRTKFTSM-JTQLQIEISA-N 1 3 323.418 0.981 20 0 DCADHO CCOC(=O)c1oc2nccnc2c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218567368 774249883 /nfs/dbraw/zinc/24/98/83/774249883.db2.gz DJJMXIXVHYJDAN-QMMMGPOBSA-N 1 3 321.337 0.404 20 0 DCADHO CCOC(=O)c1ccncc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218572534 774252871 /nfs/dbraw/zinc/25/28/71/774252871.db2.gz WMUMRLPJGGNJBM-ZDUSSCGKSA-N 1 3 306.366 0.524 20 0 DCADHO Nc1c(F)cnc(Br)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218572449 774252927 /nfs/dbraw/zinc/25/29/27/774252927.db2.gz YVVSFRSHMOGONR-LURJTMIESA-N 1 3 320.166 0.570 20 0 DCADHO O=C(Nc1cncc(C(F)(F)F)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218593421 774258127 /nfs/dbraw/zinc/25/81/27/774258127.db2.gz VEDNBPHUIKBHLW-SSDOTTSWSA-N 1 3 301.272 0.243 20 0 DCADHO COC(=O)c1ccnc(Cl)c1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218592083 774258204 /nfs/dbraw/zinc/25/82/04/774258204.db2.gz CRPSUUGVAYEJHE-VIFPVBQESA-N 1 3 314.773 0.916 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(OCc2cccnc2)n[nH]1 ZINC001218612428 774262922 /nfs/dbraw/zinc/26/29/22/774262922.db2.gz VSLDSHDBORLOFR-LLVKDONJSA-N 1 3 304.354 0.388 20 0 DCADHO COc1ccc(Br)nc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218616972 774263901 /nfs/dbraw/zinc/26/39/01/774263901.db2.gz BJHONKJKEJHYKF-SSDOTTSWSA-N 1 3 317.187 0.857 20 0 DCADHO COc1nc(Cl)ncc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218633773 774268583 /nfs/dbraw/zinc/26/85/83/774268583.db2.gz FSPLQQMRBBNJAG-AMIZOPFISA-N 1 3 311.773 0.276 20 0 DCADHO COc1cccc2ncnc(NC(=O)[C@H](N)C3CC[NH2+]CC3)c21 ZINC001218790790 774302909 /nfs/dbraw/zinc/30/29/09/774302909.db2.gz UIHQMGUOIAMXJT-CQSZACIVSA-N 1 3 315.377 0.904 20 0 DCADHO O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218886199 774321157 /nfs/dbraw/zinc/32/11/57/774321157.db2.gz SGTTTZQKHDXCQM-CYBMUJFWSA-N 1 3 314.389 0.326 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218934581 774331118 /nfs/dbraw/zinc/33/11/18/774331118.db2.gz GODGQVHZCASGBJ-HNNXBMFYSA-N 1 3 318.421 0.970 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218992816 774343442 /nfs/dbraw/zinc/34/34/42/774343442.db2.gz FOLUFHHSYBXBOG-BONVTDFDSA-N 1 3 304.394 0.718 20 0 DCADHO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219029910 774350701 /nfs/dbraw/zinc/35/07/01/774350701.db2.gz STEJNPOKLKCJPR-UKRRQHHQSA-N 1 3 319.361 0.258 20 0 DCADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCCF)CC1 ZINC001200657872 774392432 /nfs/dbraw/zinc/39/24/32/774392432.db2.gz FCCOKJUAIQWBSW-CABCVRRESA-N 1 3 313.417 0.790 20 0 DCADHO COCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200703921 774395019 /nfs/dbraw/zinc/39/50/19/774395019.db2.gz FPTTYEIUDBMHOH-OAHLLOKOSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200704570 774395623 /nfs/dbraw/zinc/39/56/23/774395623.db2.gz NEELCLXPOMEFPR-DZGCQCFKSA-N 1 3 313.442 0.059 20 0 DCADHO CN(CC(=O)N1CCCO[C@@H](C[NH2+]CCF)C1)C1CCC1 ZINC001200704610 774395681 /nfs/dbraw/zinc/39/56/81/774395681.db2.gz NPDPWPMOFREIMF-AWEZNQCLSA-N 1 3 301.406 0.647 20 0 DCADHO COCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201493728 774516961 /nfs/dbraw/zinc/51/69/61/774516961.db2.gz JFTKOFHTRWAKEC-HNNXBMFYSA-N 1 3 324.425 0.586 20 0 DCADHO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219552190 774533702 /nfs/dbraw/zinc/53/37/02/774533702.db2.gz VSONHNRUEUHJKU-ZDUSSCGKSA-N 1 3 317.389 0.906 20 0 DCADHO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219552190 774533704 /nfs/dbraw/zinc/53/37/04/774533704.db2.gz VSONHNRUEUHJKU-ZDUSSCGKSA-N 1 3 317.389 0.906 20 0 DCADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)COC)C1 ZINC001201677765 774535685 /nfs/dbraw/zinc/53/56/85/774535685.db2.gz CUUMHKPPWVBYIP-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cncc2c1CCNC2 ZINC001219613587 774557808 /nfs/dbraw/zinc/55/78/08/774557808.db2.gz NIBVTOOZMWMRAR-ZDUSSCGKSA-N 1 3 314.311 0.752 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@@H](CNCCF)C2)C1 ZINC001201864004 774560311 /nfs/dbraw/zinc/56/03/11/774560311.db2.gz RSNFSXBEKYDRBJ-KGLIPLIRSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCCO[C@@H](CNCCF)C2)C1 ZINC001201864004 774560315 /nfs/dbraw/zinc/56/03/15/774560315.db2.gz RSNFSXBEKYDRBJ-KGLIPLIRSA-N 1 3 301.406 0.505 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)COC)C1 ZINC001201931145 774572723 /nfs/dbraw/zinc/57/27/23/774572723.db2.gz INOCSNXMTKMZTB-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219856330 774629503 /nfs/dbraw/zinc/62/95/03/774629503.db2.gz ILZQRFBQPHQHEE-JSRQGNBESA-N 1 3 315.417 0.973 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)c1ccc(O)cc1 ZINC001219884736 774637236 /nfs/dbraw/zinc/63/72/36/774637236.db2.gz CBBVBTRGNJVFGZ-ZIAGYGMSSA-N 1 3 321.377 0.049 20 0 DCADHO COc1cncc(CNC2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001202331671 774638001 /nfs/dbraw/zinc/63/80/01/774638001.db2.gz WLWNEQOASQQDRA-UHFFFAOYSA-N 1 3 321.425 0.518 20 0 DCADHO NC(=O)NCCC[C@@H](N)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219952472 774655100 /nfs/dbraw/zinc/65/51/00/774655100.db2.gz VPRXFQJFXKPBHN-CYBMUJFWSA-N 1 3 313.446 0.191 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163883 774716135 /nfs/dbraw/zinc/71/61/35/774716135.db2.gz WJSUVQDXZHVNIY-WSMBLCCSSA-N 1 3 322.453 0.363 20 0 DCADHO Cc1ccc(C2(NC(=O)[C@H]3C[NH2+]CC34CNC4)COC2)cc1 ZINC001220200384 774731544 /nfs/dbraw/zinc/73/15/44/774731544.db2.gz IYPMUGURTDCGKI-CQSZACIVSA-N 1 3 301.390 0.146 20 0 DCADHO CC/C=C\CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230946 774740887 /nfs/dbraw/zinc/74/08/87/774740887.db2.gz VJHSEYWOYATGJK-JGUVHBTRSA-N 1 3 309.454 0.846 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cc(F)cc2c1OCOC2 ZINC001220294169 774761848 /nfs/dbraw/zinc/76/18/48/774761848.db2.gz JHRVXIWKFALBNP-ZDUSSCGKSA-N 1 3 311.357 0.765 20 0 DCADHO CCOC(=O)c1cccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001220403602 774797919 /nfs/dbraw/zinc/79/79/19/774797919.db2.gz WSHDFLUZOFIOMO-AWEZNQCLSA-N 1 3 320.393 0.201 20 0 DCADHO O=C(NCc1nccc(Cl)n1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220529547 774838115 /nfs/dbraw/zinc/83/81/15/774838115.db2.gz DFUJAPFTLZIMSU-SNVBAGLBSA-N 1 3 309.801 0.620 20 0 DCADHO O=C(NCc1nccc(Cl)n1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220529547 774838121 /nfs/dbraw/zinc/83/81/21/774838121.db2.gz DFUJAPFTLZIMSU-SNVBAGLBSA-N 1 3 309.801 0.620 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)CCC1 ZINC001114406758 774843474 /nfs/dbraw/zinc/84/34/74/774843474.db2.gz KODYPDDLTRAINT-KBXIAJHMSA-N 1 3 307.438 0.554 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]32)CCC1 ZINC001114406758 774843484 /nfs/dbraw/zinc/84/34/84/774843484.db2.gz KODYPDDLTRAINT-KBXIAJHMSA-N 1 3 307.438 0.554 20 0 DCADHO O=C(N[C@@H]1CCc2ccc(O)cc2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220592328 774858344 /nfs/dbraw/zinc/85/83/44/774858344.db2.gz HDQDJOHZDFHGDK-HIFRSBDPSA-N 1 3 301.390 0.175 20 0 DCADHO CC(C)(F)c1ncncc1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220673685 774886634 /nfs/dbraw/zinc/88/66/34/774886634.db2.gz IPUUFVXHRKMFDV-GFCCVEGCSA-N 1 3 309.389 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220688486 774890300 /nfs/dbraw/zinc/89/03/00/774890300.db2.gz IIHRBMJHJCNMLT-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220688486 774890308 /nfs/dbraw/zinc/89/03/08/774890308.db2.gz IIHRBMJHJCNMLT-ZNMIVQPWSA-N 1 3 313.442 0.059 20 0 DCADHO CCc1nnc2ccc(CNC(=O)[C@@H](N)CCCC[NH3+])cn21 ZINC001220992560 774973058 /nfs/dbraw/zinc/97/30/58/774973058.db2.gz QXMINQBMRIHYSR-LBPRGKRZSA-N 1 3 304.398 0.364 20 0 DCADHO CC(C)(C)NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202669090 774984810 /nfs/dbraw/zinc/98/48/10/774984810.db2.gz XHMZFQKIJGVPKM-UHFFFAOYSA-N 1 3 321.425 0.448 20 0 DCADHO CN(C(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C1CC1 ZINC001202668590 774985344 /nfs/dbraw/zinc/98/53/44/774985344.db2.gz SRAIHSAXQQFGGY-UHFFFAOYSA-N 1 3 319.409 0.154 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H](c1ccnc(F)c1)C1CC1 ZINC001221054199 774985590 /nfs/dbraw/zinc/98/55/90/774985590.db2.gz XEDGZPQWYWUQEI-WCQYABFASA-N 1 3 312.414 0.807 20 0 DCADHO O=C(NCC[C@@H]1COc2ccccc2O1)[C@H]1C[NH2+]CC12CNC2 ZINC001221292049 775056220 /nfs/dbraw/zinc/05/62/20/775056220.db2.gz DDUGGOQKKFJHMX-CHWSQXEVSA-N 1 3 317.389 0.142 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3CC4(CC4)C[NH2+]3)CC2)NC1 ZINC001221391270 775083205 /nfs/dbraw/zinc/08/32/05/775083205.db2.gz CWNVLBWNZMFWBG-HNNXBMFYSA-N 1 3 302.422 0.697 20 0 DCADHO C[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]C[C@H]1O ZINC001221398433 775086753 /nfs/dbraw/zinc/08/67/53/775086753.db2.gz ZMEHKKJVWQMDAO-ZMSDIMECSA-N 1 3 303.406 0.178 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001221400136 775087180 /nfs/dbraw/zinc/08/71/80/775087180.db2.gz ZLLOVBULSIXYEJ-MWDXBVQZSA-N 1 3 315.417 0.442 20 0 DCADHO CC(C)[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])c1cccc(N)n1 ZINC001221406867 775089983 /nfs/dbraw/zinc/08/99/83/775089983.db2.gz WVPYJWSUTHWSGK-GXFFZTMASA-N 1 3 311.455 0.496 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408522 775092284 /nfs/dbraw/zinc/09/22/84/775092284.db2.gz JEOAPSKNDJUGRH-TUKIKUTGSA-N 1 3 324.469 0.369 20 0 DCADHO O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)c1cncc2c1CCNC2 ZINC001221413813 775092967 /nfs/dbraw/zinc/09/29/67/775092967.db2.gz MNCZDJWZKRBEHL-INIZCTEOSA-N 1 3 300.406 0.845 20 0 DCADHO CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557424 775149254 /nfs/dbraw/zinc/14/92/54/775149254.db2.gz JAMFOLVCEQFMFN-BRWVUGGUSA-N 1 3 321.465 0.897 20 0 DCADHO C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095605763 775257275 /nfs/dbraw/zinc/25/72/75/775257275.db2.gz AYOQOHJFDZHZMM-WCVJEAGWSA-N 1 3 321.465 0.965 20 0 DCADHO O=C1NCC[C@]12CN(Cc1cccc3c1CCN3)CC21C[NH2+]C1 ZINC001222527970 775378532 /nfs/dbraw/zinc/37/85/32/775378532.db2.gz RVTPEGDWLFXRQU-SFHVURJKSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@]12C[N@H+](Cc1cccc3c1CCN3)CC21CNC1 ZINC001222527970 775378549 /nfs/dbraw/zinc/37/85/49/775378549.db2.gz RVTPEGDWLFXRQU-SFHVURJKSA-N 1 3 312.417 0.566 20 0 DCADHO O=C1NCC[C@]12C[N@@H+](Cc1cccc3c1CCN3)CC21CNC1 ZINC001222527970 775378565 /nfs/dbraw/zinc/37/85/65/775378565.db2.gz RVTPEGDWLFXRQU-SFHVURJKSA-N 1 3 312.417 0.566 20 0 DCADHO CN1CC[C@@H](N2CCC(CNC(=O)CCC[NH+](C)C)CC2)C1=O ZINC001224273289 775552007 /nfs/dbraw/zinc/55/20/07/775552007.db2.gz VNXXQWKCDLJEBG-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC([N@H+](CCO)CCOC)CC1 ZINC001098506000 775643573 /nfs/dbraw/zinc/64/35/73/775643573.db2.gz JDWWCULKUGTKOL-UHFFFAOYSA-N 1 3 315.458 0.260 20 0 DCADHO CCN(CC)CC(=O)N1CCC([N@@H+](CCO)CCOC)CC1 ZINC001098506000 775643578 /nfs/dbraw/zinc/64/35/78/775643578.db2.gz JDWWCULKUGTKOL-UHFFFAOYSA-N 1 3 315.458 0.260 20 0 DCADHO CO[C@H](C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277550 775700818 /nfs/dbraw/zinc/70/08/18/775700818.db2.gz XFNZBYPKXVRPGG-TUVASFSCSA-N 1 3 313.442 0.321 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1)C(N)=O ZINC001226817193 775881581 /nfs/dbraw/zinc/88/15/81/775881581.db2.gz ASQBMIOVNWCYSF-IACUBPJLSA-N 1 3 310.442 0.362 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCOCC3CC3)CC2)C1 ZINC001230262510 776270510 /nfs/dbraw/zinc/27/05/10/776270510.db2.gz CUUHIVDGVXFOAX-OAHLLOKOSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCOCC3CC3)CC2)C1 ZINC001230262510 776270518 /nfs/dbraw/zinc/27/05/18/776270518.db2.gz CUUHIVDGVXFOAX-OAHLLOKOSA-N 1 3 309.454 0.945 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284668 776276410 /nfs/dbraw/zinc/27/64/10/776276410.db2.gz PTNBDHPTARONHJ-BFHYXJOUSA-N 1 3 312.458 0.478 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccnn1C ZINC001277982960 945079166 /nfs/dbraw/zinc/07/91/66/945079166.db2.gz ZMYQQLLTOFOWNH-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587211 945087130 /nfs/dbraw/zinc/08/71/30/945087130.db2.gz FTVFCGBWDJTHMK-OAHLLOKOSA-N 1 3 305.426 0.310 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317627153 945124568 /nfs/dbraw/zinc/12/45/68/945124568.db2.gz SIGJDWQTUVDKTP-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)C(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317627153 945124572 /nfs/dbraw/zinc/12/45/72/945124572.db2.gz SIGJDWQTUVDKTP-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317627053 945125048 /nfs/dbraw/zinc/12/50/48/945125048.db2.gz RNSMLYDUSGLQRU-CYBMUJFWSA-N 1 3 307.442 0.618 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317627053 945125054 /nfs/dbraw/zinc/12/50/54/945125054.db2.gz RNSMLYDUSGLQRU-CYBMUJFWSA-N 1 3 307.442 0.618 20 0 DCADHO CN(C)CC1(C[NH+]2CC3(C2)CCOC[C@@H]3C(N)=O)CCCC1 ZINC001278073479 945126282 /nfs/dbraw/zinc/12/62/82/945126282.db2.gz AEUZKZNMDNTYIG-CQSZACIVSA-N 1 3 309.454 0.932 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]CCn1nc(C)cc1C)N(C)C ZINC001317631274 945128036 /nfs/dbraw/zinc/12/80/36/945128036.db2.gz XDXAEPIUMUGMCT-HNNXBMFYSA-N 1 3 309.458 0.888 20 0 DCADHO CCNC(=O)CNCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317641863 945135987 /nfs/dbraw/zinc/13/59/87/945135987.db2.gz BDGREXLTTCFYBF-UHFFFAOYSA-N 1 3 320.437 0.546 20 0 DCADHO COc1ccc(C[NH2+]CCN(C)C(=O)CN2CCCC2)cn1 ZINC001317661912 945152377 /nfs/dbraw/zinc/15/23/77/945152377.db2.gz QMQFMCCHQQUXFY-UHFFFAOYSA-N 1 3 306.410 0.734 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001266543445 939158131 /nfs/dbraw/zinc/15/81/31/939158131.db2.gz KEUSOTBPMRBYAO-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)CC[NH3+] ZINC000398200845 939189637 /nfs/dbraw/zinc/18/96/37/939189637.db2.gz PJRRVDRESAYDQN-ZFWWWQNUSA-N 1 3 311.451 0.775 20 0 DCADHO Cc1cc(C)n(CCN(C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001480913433 939315096 /nfs/dbraw/zinc/31/50/96/939315096.db2.gz NWINLZGBVSWOCJ-AWEZNQCLSA-N 1 3 321.469 0.890 20 0 DCADHO Cc1cc(C)n(CCN(C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001480913433 939315100 /nfs/dbraw/zinc/31/51/00/939315100.db2.gz NWINLZGBVSWOCJ-AWEZNQCLSA-N 1 3 321.469 0.890 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001267032219 939317823 /nfs/dbraw/zinc/31/78/23/939317823.db2.gz FLGYOXNEPAJNGY-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=O)NC)N(C)C ZINC001267179347 939373077 /nfs/dbraw/zinc/37/30/77/939373077.db2.gz OMBHUAOIYINNTM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=O)NC)N(C)C ZINC001267179347 939373081 /nfs/dbraw/zinc/37/30/81/939373081.db2.gz OMBHUAOIYINNTM-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267181462 939374527 /nfs/dbraw/zinc/37/45/27/939374527.db2.gz KBDSEGVPJQDPEB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267181462 939374529 /nfs/dbraw/zinc/37/45/29/939374529.db2.gz KBDSEGVPJQDPEB-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)CCn1cccn1 ZINC001480997611 939515724 /nfs/dbraw/zinc/51/57/24/939515724.db2.gz HTRCGSDCTFYOKM-UHFFFAOYSA-N 1 3 307.442 0.663 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001481214942 939641591 /nfs/dbraw/zinc/64/15/91/939641591.db2.gz CPXFDQSTAGIIHX-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001481228463 939654426 /nfs/dbraw/zinc/65/44/26/939654426.db2.gz FPXDXYAXKOURNS-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001481228463 939654428 /nfs/dbraw/zinc/65/44/28/939654428.db2.gz FPXDXYAXKOURNS-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)C(=O)NC1CC1 ZINC001481294498 939724252 /nfs/dbraw/zinc/72/42/52/939724252.db2.gz AFNBEWOGHSVULP-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C(=O)CNCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481301753 939730934 /nfs/dbraw/zinc/73/09/34/939730934.db2.gz CEGBZHIYEACPJM-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001481319434 939746541 /nfs/dbraw/zinc/74/65/41/939746541.db2.gz DSGGADXUYQERQF-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CCCC[NH+]1CCCC1 ZINC001481322005 939747754 /nfs/dbraw/zinc/74/77/54/939747754.db2.gz MVOXEWHAVOQOIT-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481344320 939755351 /nfs/dbraw/zinc/75/53/51/939755351.db2.gz WXIRLUPGBAOYFS-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCNCC(=O)N1CCC1 ZINC001268457483 940141552 /nfs/dbraw/zinc/14/15/52/940141552.db2.gz ZPCZCMDZLPCAFX-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCNCC(=O)N1CCC1 ZINC001268457483 940141554 /nfs/dbraw/zinc/14/15/54/940141554.db2.gz ZPCZCMDZLPCAFX-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1cnnn1C)C1CC1)N(C)C ZINC001481942335 940191167 /nfs/dbraw/zinc/19/11/67/940191167.db2.gz KPLNJTHABLAIEY-HOCLYGCPSA-N 1 3 322.457 0.530 20 0 DCADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)ncn1 ZINC001482143699 940281622 /nfs/dbraw/zinc/28/16/22/940281622.db2.gz OYJLLYDZTVFBLH-KBPBESRZSA-N 1 3 319.453 0.969 20 0 DCADHO COC(=O)[C@@H](O)CN[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246001113 945312032 /nfs/dbraw/zinc/31/20/32/945312032.db2.gz PTDNLGHBGXGGCC-GJZGRUSLSA-N 1 3 310.369 0.990 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001246001077 945312171 /nfs/dbraw/zinc/31/21/71/945312171.db2.gz OWMLBCDWFPAJDN-BQJWPVKWSA-N 1 3 305.422 0.026 20 0 DCADHO Nc1ccc2c(c1)CN(C[C@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246062847 945332862 /nfs/dbraw/zinc/33/28/62/945332862.db2.gz KBPFNFYEJPVKER-MRXNPFEDSA-N 1 3 305.422 0.492 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCC(F)F ZINC001270183935 940851543 /nfs/dbraw/zinc/85/15/43/940851543.db2.gz CMOWBMXRJQPFFI-CHWSQXEVSA-N 1 3 319.396 0.943 20 0 DCADHO C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293329 940912195 /nfs/dbraw/zinc/91/21/95/940912195.db2.gz VCROAIYOJHIEBH-STQMWFEESA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482337487 941004703 /nfs/dbraw/zinc/00/47/03/941004703.db2.gz REDTWXIHOVTRPF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482354133 941017720 /nfs/dbraw/zinc/01/77/20/941017720.db2.gz OCMOPRAOASHATC-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482354133 941017723 /nfs/dbraw/zinc/01/77/23/941017723.db2.gz OCMOPRAOASHATC-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001482357000 941019194 /nfs/dbraw/zinc/01/91/94/941019194.db2.gz UTWVWCQZOXXFIV-QWHCGFSZSA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)CN1CCCC1 ZINC001482365011 941023149 /nfs/dbraw/zinc/02/31/49/941023149.db2.gz RLVOGDDXPUWMNW-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H](CNCC(N)=O)C2CCCCC2)CC1 ZINC001482409887 941211937 /nfs/dbraw/zinc/21/19/37/941211937.db2.gz RQOFTHQWKJGGED-AWEZNQCLSA-N 1 3 324.469 0.468 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C)N(C)C ZINC001409194552 941576087 /nfs/dbraw/zinc/57/60/87/941576087.db2.gz IEUPPMBHUOGQKI-SOUVJXGZSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001409268421 941822148 /nfs/dbraw/zinc/82/21/48/941822148.db2.gz ADZUNMMOYNTIFA-RUXDESIVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161777 941917050 /nfs/dbraw/zinc/91/70/50/941917050.db2.gz RPRMBIAUWYZUCW-GFCCVEGCSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CNCc1ccnn1C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172430 941922302 /nfs/dbraw/zinc/92/23/02/941922302.db2.gz PQEXEYBVVPVVQV-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001409386382 941974776 /nfs/dbraw/zinc/97/47/76/941974776.db2.gz QUUVXORVOARGLE-STQMWFEESA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)N(C)CCn1cncn1 ZINC001409590772 942069521 /nfs/dbraw/zinc/06/95/21/942069521.db2.gz KUCYPPMIONMSMS-AWEZNQCLSA-N 1 3 322.457 0.589 20 0 DCADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001272265581 942193600 /nfs/dbraw/zinc/19/36/00/942193600.db2.gz RTLISWAQGMNGPA-QLFBSQMISA-N 1 3 320.437 0.799 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001483259875 942214606 /nfs/dbraw/zinc/21/46/06/942214606.db2.gz RUAJFQQDUXSWJM-FMSGJZPZSA-N 1 3 322.457 0.999 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001483259875 942214609 /nfs/dbraw/zinc/21/46/09/942214609.db2.gz RUAJFQQDUXSWJM-FMSGJZPZSA-N 1 3 322.457 0.999 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001077440742 942414928 /nfs/dbraw/zinc/41/49/28/942414928.db2.gz TVXVIMAFPDIPHB-BRWVUGGUSA-N 1 3 321.465 0.822 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O)[C@@H](C1CC1)N1CCCC1 ZINC001077440742 942414930 /nfs/dbraw/zinc/41/49/30/942414930.db2.gz TVXVIMAFPDIPHB-BRWVUGGUSA-N 1 3 321.465 0.822 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001483570190 942430995 /nfs/dbraw/zinc/43/09/95/942430995.db2.gz HVDCGCZPTQDARZ-KBPBESRZSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001483570190 942430998 /nfs/dbraw/zinc/43/09/98/942430998.db2.gz HVDCGCZPTQDARZ-KBPBESRZSA-N 1 3 310.442 0.077 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C1CC1 ZINC001483592769 942446827 /nfs/dbraw/zinc/44/68/27/942446827.db2.gz PVLJZKCQSMEREL-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001483592769 942446829 /nfs/dbraw/zinc/44/68/29/942446829.db2.gz PVLJZKCQSMEREL-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(N)=O ZINC001127082529 942465437 /nfs/dbraw/zinc/46/54/37/942465437.db2.gz UDIXSRUCHUGHGS-KGLIPLIRSA-N 1 3 312.458 0.609 20 0 DCADHO CCCC[C@@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(N)=O ZINC001127082529 942465438 /nfs/dbraw/zinc/46/54/38/942465438.db2.gz UDIXSRUCHUGHGS-KGLIPLIRSA-N 1 3 312.458 0.609 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001127082803 942466680 /nfs/dbraw/zinc/46/66/80/942466680.db2.gz ZENOCQBBIAQATM-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001127082803 942466688 /nfs/dbraw/zinc/46/66/88/942466688.db2.gz ZENOCQBBIAQATM-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NCc1cn(C)nn1 ZINC001483622399 942555324 /nfs/dbraw/zinc/55/53/24/942555324.db2.gz SUCABXUKUWQRMQ-HIFRSBDPSA-N 1 3 322.457 0.484 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001483623167 942559959 /nfs/dbraw/zinc/55/99/59/942559959.db2.gz VSVGACAYGOXTCH-GXTWGEPZSA-N 1 3 321.425 0.305 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001272383745 942727593 /nfs/dbraw/zinc/72/75/93/942727593.db2.gz JISPCIABYZVAQJ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC1CC1 ZINC001483949723 943049839 /nfs/dbraw/zinc/04/98/39/943049839.db2.gz BWKKBTBLQJBKSQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC1CC1 ZINC001483949723 943049847 /nfs/dbraw/zinc/04/98/47/943049847.db2.gz BWKKBTBLQJBKSQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1nnc(CNC[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001484376499 943341885 /nfs/dbraw/zinc/34/18/85/943341885.db2.gz ZYAUCEUZIQGFPY-OCCSQVGLSA-N 1 3 322.457 0.639 20 0 DCADHO COCCC[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001484409244 943357503 /nfs/dbraw/zinc/35/75/03/943357503.db2.gz LZANSNKSFHHSLA-GASCZTMLSA-N 1 3 309.454 0.897 20 0 DCADHO COCCC[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001484409244 943357506 /nfs/dbraw/zinc/35/75/06/943357506.db2.gz LZANSNKSFHHSLA-GASCZTMLSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CCC[C@H](C)O)C1 ZINC001484699905 943521347 /nfs/dbraw/zinc/52/13/47/943521347.db2.gz IIQORTSGJNDMPA-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCn2cccn2)C1 ZINC001484904581 943622309 /nfs/dbraw/zinc/62/23/09/943622309.db2.gz LGVNLYMJZCJDGT-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO CCCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001484913459 943624191 /nfs/dbraw/zinc/62/41/91/943624191.db2.gz ORPZFESFLOBAJO-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001490931897 943681369 /nfs/dbraw/zinc/68/13/69/943681369.db2.gz INXUJPJGXVKFRQ-KKUMJFAQSA-N 1 3 324.469 0.574 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001490958278 943688484 /nfs/dbraw/zinc/68/84/84/943688484.db2.gz UHHLUBDXUCKXDL-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+][C@H]2CCNC2=O)C1 ZINC001485259661 943775758 /nfs/dbraw/zinc/77/57/58/943775758.db2.gz AVTBPFWMUMIZNV-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1cnc(CN[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cn1 ZINC001491502831 944054109 /nfs/dbraw/zinc/05/41/09/944054109.db2.gz CNMXNJKCKBNOBU-DZGCQCFKSA-N 1 3 305.426 0.864 20 0 DCADHO Cc1cnc(CN[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)cn1 ZINC001491502831 944054118 /nfs/dbraw/zinc/05/41/18/944054118.db2.gz CNMXNJKCKBNOBU-DZGCQCFKSA-N 1 3 305.426 0.864 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCn2cccn2)C1 ZINC001485706676 944086240 /nfs/dbraw/zinc/08/62/40/944086240.db2.gz MXRBMZSHSDRCKY-SHTZXODSSA-N 1 3 307.442 0.708 20 0 DCADHO CCN(CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890295 944154792 /nfs/dbraw/zinc/15/47/92/944154792.db2.gz LKWIUAUKFIHKFZ-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CCNC(=O)C1CC1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890295 944154795 /nfs/dbraw/zinc/15/47/95/944154795.db2.gz LKWIUAUKFIHKFZ-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001485836442 944308778 /nfs/dbraw/zinc/30/87/78/944308778.db2.gz BOZZGYNTVKCTJQ-ZBFHGGJFSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001276822579 944315037 /nfs/dbraw/zinc/31/50/37/944315037.db2.gz YXNIQQDPEKSFED-KGLIPLIRSA-N 1 3 303.422 0.892 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@@H]1CCN(C)C1=O ZINC001485960294 944448998 /nfs/dbraw/zinc/44/89/98/944448998.db2.gz CZQNYUNQZLXCPR-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1cc(F)ccc1CN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486062280 944524439 /nfs/dbraw/zinc/52/44/39/944524439.db2.gz UVTNUCJTOPJKHG-HOCLYGCPSA-N 1 3 323.412 0.653 20 0 DCADHO Cc1cc(F)ccc1CN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001486062280 944524443 /nfs/dbraw/zinc/52/44/43/944524443.db2.gz UVTNUCJTOPJKHG-HOCLYGCPSA-N 1 3 323.412 0.653 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H]1CCCN(C)C1=O ZINC001316887681 944615915 /nfs/dbraw/zinc/61/59/15/944615915.db2.gz SDTUVCPEAMMUAG-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H]1CCCN(C)C1=O ZINC001316887681 944615922 /nfs/dbraw/zinc/61/59/22/944615922.db2.gz SDTUVCPEAMMUAG-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CCC2CC2)C1 ZINC001486349053 944834229 /nfs/dbraw/zinc/83/42/29/944834229.db2.gz NSGHJRYOOLUOGH-GOEBONIOSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCC2CC2)C1 ZINC001486349053 944834239 /nfs/dbraw/zinc/83/42/39/944834239.db2.gz NSGHJRYOOLUOGH-GOEBONIOSA-N 1 3 311.470 0.879 20 0 DCADHO C[NH+]1CCC(CCN2CC[C@H]3C[C@]32C(=O)NCC2COC2)CC1 ZINC001277838588 945002656 /nfs/dbraw/zinc/00/26/56/945002656.db2.gz MPALVMWGZPSBLB-FUHWJXTLSA-N 1 3 321.465 0.945 20 0 DCADHO c1nc(CN[C@H]2CCNC3(C[NH2+]C3)C2)cc(OC2CCC2)n1 ZINC001246392840 945401713 /nfs/dbraw/zinc/40/17/13/945401713.db2.gz JHNKDKKKONLXRU-LBPRGKRZSA-N 1 3 303.410 0.592 20 0 DCADHO FC(F)(F)Cn1ccc(CN[C@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246427998 945410284 /nfs/dbraw/zinc/41/02/84/945410284.db2.gz OCWWEYZTTREVLG-JTQLQIEISA-N 1 3 303.332 0.629 20 0 DCADHO c1cncc(CN2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246526441 945427472 /nfs/dbraw/zinc/42/74/72/945427472.db2.gz XKUNKSZPGXXFJP-INIZCTEOSA-N 1 3 301.438 0.293 20 0 DCADHO CC(C)(C)[C@@H]1C[C@H](N2CCOC[C@]3(CNCCO3)C2)CC[NH2+]1 ZINC001246599326 945439840 /nfs/dbraw/zinc/43/98/40/945439840.db2.gz CGAZEAKNUDUVOV-VYDXJSESSA-N 1 3 311.470 0.844 20 0 DCADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1 ZINC001246625348 945443663 /nfs/dbraw/zinc/44/36/63/945443663.db2.gz GLNMVPAFIZZWBH-XGUBFFRZSA-N 1 3 309.454 0.990 20 0 DCADHO O=C1NCCN([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C12CNC2 ZINC001246637959 945448647 /nfs/dbraw/zinc/44/86/47/945448647.db2.gz QYCJACLFGMGWNT-GJZGRUSLSA-N 1 3 300.406 0.254 20 0 DCADHO CCOC(=O)[C@H]1C[C@@H]2CN([C@@H]3CC[NH2+][C@@H](C(C)C)C3)C[C@@H]2N1 ZINC001246671531 945458292 /nfs/dbraw/zinc/45/82/92/945458292.db2.gz SIFPGSLZTQJTCR-QCODTGAPSA-N 1 3 309.454 0.988 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)CCN1 ZINC001246722541 945472474 /nfs/dbraw/zinc/47/24/74/945472474.db2.gz QXROLQPBZOSVAZ-CPUCHLNUSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)CCN1 ZINC001246722541 945472478 /nfs/dbraw/zinc/47/24/78/945472478.db2.gz QXROLQPBZOSVAZ-CPUCHLNUSA-N 1 3 317.437 0.989 20 0 DCADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CCN1 ZINC001246731765 945474619 /nfs/dbraw/zinc/47/46/19/945474619.db2.gz YJRAMAVFSHNPPE-UYJHQMFVSA-N 1 3 323.437 0.913 20 0 DCADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)CCN1 ZINC001246731765 945474624 /nfs/dbraw/zinc/47/46/24/945474624.db2.gz YJRAMAVFSHNPPE-UYJHQMFVSA-N 1 3 323.437 0.913 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CCN1 ZINC001246745502 945482362 /nfs/dbraw/zinc/48/23/62/945482362.db2.gz PAHFXESOPVIVBJ-IIVZCXTMSA-N 1 3 321.465 0.992 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)CCN1 ZINC001246745502 945482371 /nfs/dbraw/zinc/48/23/71/945482371.db2.gz PAHFXESOPVIVBJ-IIVZCXTMSA-N 1 3 321.465 0.992 20 0 DCADHO CC[C@@]1(C(=O)OC)C[C@H](N2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246886361 945512838 /nfs/dbraw/zinc/51/28/38/945512838.db2.gz KEHPARUQYUPTCZ-RDJZCZTQSA-N 1 3 324.469 0.040 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1CCC(N2CCOCC2)CC1 ZINC001246905395 945515914 /nfs/dbraw/zinc/51/59/14/945515914.db2.gz OOFGAAJLLZMCDO-PPWQZUPISA-N 1 3 311.426 0.204 20 0 DCADHO COc1ccc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246961754 945527302 /nfs/dbraw/zinc/52/73/02/945527302.db2.gz PUDJPCRLTHWKGA-CQSZACIVSA-N 1 3 317.437 0.306 20 0 DCADHO COc1ccc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001273175532 945641017 /nfs/dbraw/zinc/64/10/17/945641017.db2.gz IENLZMMYEQJUJK-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO COc1ccc(CNCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001273175532 945641020 /nfs/dbraw/zinc/64/10/20/945641020.db2.gz IENLZMMYEQJUJK-QWHCGFSZSA-N 1 3 321.425 0.421 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CC(C)(C)O)CC2 ZINC001252350429 945893140 /nfs/dbraw/zinc/89/31/40/945893140.db2.gz NMQRWAKDIONSPK-UHFFFAOYSA-N 1 3 307.438 0.581 20 0 DCADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CC(C)(C)O)CC2 ZINC001252350429 945893153 /nfs/dbraw/zinc/89/31/53/945893153.db2.gz NMQRWAKDIONSPK-UHFFFAOYSA-N 1 3 307.438 0.581 20 0 DCADHO C[C@H](CC[NH2+]CC(=O)N1CCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001320549617 945921837 /nfs/dbraw/zinc/92/18/37/945921837.db2.gz SRZOLXPGWXHEIF-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO O[C@@]1(CNCCn2ccnn2)CC[N@H+](Cc2ccccc2)C1 ZINC001252917690 946028681 /nfs/dbraw/zinc/02/86/81/946028681.db2.gz VKEXTAWWHFPFDF-MRXNPFEDSA-N 1 3 301.394 0.505 20 0 DCADHO O[C@@]1(CNCCn2ccnn2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917690 946028692 /nfs/dbraw/zinc/02/86/92/946028692.db2.gz VKEXTAWWHFPFDF-MRXNPFEDSA-N 1 3 301.394 0.505 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+]C1(CC(=O)OC)CCOCC1 ZINC001253213086 946096839 /nfs/dbraw/zinc/09/68/39/946096839.db2.gz KZNFRZDCQFJHTE-CYBMUJFWSA-N 1 3 302.415 0.391 20 0 DCADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)N(C)C)C1 ZINC001253212253 946097368 /nfs/dbraw/zinc/09/73/68/946097368.db2.gz GXLDOADGIUGPPT-UONOGXRCSA-N 1 3 300.447 0.425 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)C ZINC001410265794 946117089 /nfs/dbraw/zinc/11/70/89/946117089.db2.gz DAKJBFAONDCNOY-CHWSQXEVSA-N 1 3 321.425 0.270 20 0 DCADHO CN1C[C@@H]2C[N@@H+](C[C@](C)(O)C(=O)OCc3ccccc3)C[C@@H]2C1 ZINC001253636609 946147578 /nfs/dbraw/zinc/14/75/78/946147578.db2.gz RGUAWPXTIVPNDV-JZXOWHBKSA-N 1 3 318.417 0.974 20 0 DCADHO CN1C[C@@H]2C[N@H+](C[C@](C)(O)C(=O)OCc3ccccc3)C[C@@H]2C1 ZINC001253636609 946147582 /nfs/dbraw/zinc/14/75/82/946147582.db2.gz RGUAWPXTIVPNDV-JZXOWHBKSA-N 1 3 318.417 0.974 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001321113216 946172957 /nfs/dbraw/zinc/17/29/57/946172957.db2.gz WZFILEISCKWCOG-NQHOJNORSA-N 1 3 322.453 0.388 20 0 DCADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001410314634 946174043 /nfs/dbraw/zinc/17/40/43/946174043.db2.gz PYABFZBTQIZUEL-UONOGXRCSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)(C(=O)NC/C=C/CN[C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001321184028 946206306 /nfs/dbraw/zinc/20/63/06/946206306.db2.gz DUVCITRHXODRET-XGACYXMMSA-N 1 3 322.453 0.401 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001410447241 946390907 /nfs/dbraw/zinc/39/09/07/946390907.db2.gz HGUMPRRWFSWJLU-LLVKDONJSA-N 1 3 319.413 0.297 20 0 DCADHO COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+][C@H]1CCCN(C)CC1 ZINC001254508327 946404071 /nfs/dbraw/zinc/40/40/71/946404071.db2.gz QQNBSXCJQBDZIT-IHRRRGAJSA-N 1 3 311.426 0.613 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001410492589 946485276 /nfs/dbraw/zinc/48/52/76/946485276.db2.gz LZKKUARMAHVDMA-NSHDSACASA-N 1 3 306.414 0.145 20 0 DCADHO [NH3+]CCS(=O)(=O)N[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383240 946494044 /nfs/dbraw/zinc/49/40/44/946494044.db2.gz GWVHRKNBQHSVIB-OAHLLOKOSA-N 1 3 311.451 0.919 20 0 DCADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@@H]1CCCNC1=O ZINC001410519329 946508916 /nfs/dbraw/zinc/50/89/16/946508916.db2.gz QLBDRQIBFFVQBK-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC001273322955 946626734 /nfs/dbraw/zinc/62/67/34/946626734.db2.gz KPZZVJVBJQJOMF-HIFRSBDPSA-N 1 3 322.409 0.196 20 0 DCADHO C(C[NH2+]C1CCC(N2CCOCC2)CC1)CN1CCOCC1 ZINC001256677160 946651855 /nfs/dbraw/zinc/65/18/55/946651855.db2.gz XOSFTZGYKULCLH-UHFFFAOYSA-N 1 3 311.470 0.942 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)C1=O ZINC001322442433 946681086 /nfs/dbraw/zinc/68/10/86/946681086.db2.gz LPYBHQVUCQZFAU-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001322710914 946778490 /nfs/dbraw/zinc/77/84/90/946778490.db2.gz NWKGMSPTQCDFQT-UHFFFAOYSA-N 1 3 319.413 0.299 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001322796308 946808111 /nfs/dbraw/zinc/80/81/11/946808111.db2.gz NIUXIWZSVLNCFH-STQMWFEESA-N 1 3 300.447 0.145 20 0 DCADHO CCCN1CCC([NH2+]CCN2CCS(=O)(=O)CC2)CC1 ZINC001258769345 946862639 /nfs/dbraw/zinc/86/26/39/946862639.db2.gz NISUXWUKVWJHDX-UHFFFAOYSA-N 1 3 303.472 0.181 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001410923422 947129165 /nfs/dbraw/zinc/12/91/65/947129165.db2.gz RNLPUPAYZACRAR-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC(=O)N(C)C)C(C)(C)C2)C1 ZINC001410987807 947197284 /nfs/dbraw/zinc/19/72/84/947197284.db2.gz OJRJUJYEGJXHHM-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1)N(C)C ZINC001324264460 947369756 /nfs/dbraw/zinc/36/97/56/947369756.db2.gz VFYPBOVBUZORFX-HUUCEWRRSA-N 1 3 322.457 0.445 20 0 DCADHO Cn1cc(CC[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cn1 ZINC001324273927 947374272 /nfs/dbraw/zinc/37/42/72/947374272.db2.gz RDNHSOFNFRZUJF-INIZCTEOSA-N 1 3 319.453 0.639 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001411251560 947541223 /nfs/dbraw/zinc/54/12/23/947541223.db2.gz BURDXTVYMJJRFP-UHFFFAOYSA-N 1 3 310.442 0.138 20 0 DCADHO CN(C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001411282309 947582055 /nfs/dbraw/zinc/58/20/55/947582055.db2.gz FGVFPIGQBNEJBD-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@H](C)[NH2+]C ZINC001325345026 947760845 /nfs/dbraw/zinc/76/08/45/947760845.db2.gz ADSYZDPXIGIJJT-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC001325356292 947767408 /nfs/dbraw/zinc/76/74/08/947767408.db2.gz OCFKGYYNTPSMDI-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001179486655 947850612 /nfs/dbraw/zinc/85/06/12/947850612.db2.gz OUGMSKJZFBEOML-MELADBBJSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NCC(=O)NC)[C@@H]1C)[NH+](CC)CC ZINC001179520522 947853388 /nfs/dbraw/zinc/85/33/88/947853388.db2.gz DEQGKGZBUVLMSP-IHRRRGAJSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H]([NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001179609560 947873729 /nfs/dbraw/zinc/87/37/29/947873729.db2.gz WJCMXUKBOZSNHD-KGLIPLIRSA-N 1 3 314.474 0.857 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001325703253 947887848 /nfs/dbraw/zinc/88/78/48/947887848.db2.gz COASZJKHPYDBAP-ILXRZTDVSA-N 1 3 324.469 0.243 20 0 DCADHO [NH3+]CCCCn1cc(-c2nc([C@@H]3CN4CCC3CC4)no2)nn1 ZINC001325934603 947984256 /nfs/dbraw/zinc/98/42/56/947984256.db2.gz XWZWNKIHEQNYPT-GFCCVEGCSA-N 1 3 317.397 0.876 20 0 DCADHO O=C(N(CCO)CCNC/C=C\Cl)C12CC[NH+](CC1)C2 ZINC001326134474 948065969 /nfs/dbraw/zinc/06/59/69/948065969.db2.gz FWPIYXNUSZVLQU-RJRFIUFISA-N 1 3 301.818 0.245 20 0 DCADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](N)C2CCC2)CC1 ZINC001327601020 948567087 /nfs/dbraw/zinc/56/70/87/948567087.db2.gz FZSLNIUTYQIQTL-HNNXBMFYSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001488158904 948576675 /nfs/dbraw/zinc/57/66/75/948576675.db2.gz YXAVYOWHXWNHOC-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)C(=O)NC(C)(C)C ZINC001491566941 948730712 /nfs/dbraw/zinc/73/07/12/948730712.db2.gz SVKGNQBARADYTA-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CCCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001264583729 949009264 /nfs/dbraw/zinc/00/92/64/949009264.db2.gz AFVUNDCPBUAALY-GFCCVEGCSA-N 1 3 321.425 0.640 20 0 DCADHO CCCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001264583729 949009281 /nfs/dbraw/zinc/00/92/81/949009281.db2.gz AFVUNDCPBUAALY-GFCCVEGCSA-N 1 3 321.425 0.640 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)CN(C)C(C)C)C2)C1=O ZINC001488880291 949343704 /nfs/dbraw/zinc/34/37/04/949343704.db2.gz RFNMRUSOXOLFLJ-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+]1CCC(C(=O)NCCCN(C2CC2)[C@H]2CCNC2=O)CC1 ZINC001265174685 949410288 /nfs/dbraw/zinc/41/02/88/949410288.db2.gz GNFCVWAWOAPKMA-HNNXBMFYSA-N 1 3 322.453 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)NCc1nc(C[NH2+]C(C)C)cc(=O)[n-]1 ZINC001489079442 949472377 /nfs/dbraw/zinc/47/23/77/949472377.db2.gz XFEVRGYJLJNMDS-UHFFFAOYSA-N 1 3 309.414 0.638 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCc1nc(C[NH2+]C(C)C)cc(=O)[n-]1 ZINC001489079442 949472384 /nfs/dbraw/zinc/47/23/84/949472384.db2.gz XFEVRGYJLJNMDS-UHFFFAOYSA-N 1 3 309.414 0.638 20 0 DCADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001489053678 949482440 /nfs/dbraw/zinc/48/24/40/949482440.db2.gz UYHZEOBOXDHRJE-KGLIPLIRSA-N 1 3 322.453 0.045 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001265458418 949703661 /nfs/dbraw/zinc/70/36/61/949703661.db2.gz WGVGLXZHQJNTOP-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO COCC[N@H+](C)C[C@H](O)CN1CCC(c2cncn2C)CC1 ZINC001364838306 950043627 /nfs/dbraw/zinc/04/36/27/950043627.db2.gz UCGNCSJWBZUMRI-HNNXBMFYSA-N 1 3 310.442 0.539 20 0 DCADHO COCC[N@@H+](C)C[C@H](O)CN1CCC(c2cncn2C)CC1 ZINC001364838306 950043647 /nfs/dbraw/zinc/04/36/47/950043647.db2.gz UCGNCSJWBZUMRI-HNNXBMFYSA-N 1 3 310.442 0.539 20 0 DCADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)CC2CN(C)C2)CC1 ZINC001330353756 950301889 /nfs/dbraw/zinc/30/18/89/950301889.db2.gz SGTKTYARSZBURG-UHFFFAOYSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001266120193 950393916 /nfs/dbraw/zinc/39/39/16/950393916.db2.gz VFARLMLEDKVORD-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001266120193 950393933 /nfs/dbraw/zinc/39/39/33/950393933.db2.gz VFARLMLEDKVORD-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001266203289 950469361 /nfs/dbraw/zinc/46/93/61/950469361.db2.gz AXDSIGHIXBNEDL-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCN1C ZINC001266203289 950469375 /nfs/dbraw/zinc/46/93/75/950469375.db2.gz AXDSIGHIXBNEDL-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO Cn1nccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001280000595 950750699 /nfs/dbraw/zinc/75/06/99/950750699.db2.gz WIDCZWRMJLZZMZ-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2ccnn2C)C2CC2)CC[N@@H+]1C ZINC001490665879 950970819 /nfs/dbraw/zinc/97/08/19/950970819.db2.gz WSXJZSZYPUUKKV-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCc2ccnn2C)C2CC2)CC[N@H+]1C ZINC001490665879 950970833 /nfs/dbraw/zinc/97/08/33/950970833.db2.gz WSXJZSZYPUUKKV-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]Cc1cncn1C)C1CC1 ZINC001490742741 951071693 /nfs/dbraw/zinc/07/16/93/951071693.db2.gz SOVYZNRZYRCKFI-HNNXBMFYSA-N 1 3 307.442 0.745 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001274025465 951337838 /nfs/dbraw/zinc/33/78/38/951337838.db2.gz MBRARGOFYCVYNK-PUWCWTCHSA-N 1 3 308.426 0.010 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCNC1=O ZINC001274025465 951337859 /nfs/dbraw/zinc/33/78/59/951337859.db2.gz MBRARGOFYCVYNK-PUWCWTCHSA-N 1 3 308.426 0.010 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC001331946613 951403546 /nfs/dbraw/zinc/40/35/46/951403546.db2.gz AQROOPGMSKHAKG-DZGCQCFKSA-N 1 3 320.437 0.129 20 0 DCADHO COCC[NH2+]CC1(O)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001281634989 951568261 /nfs/dbraw/zinc/56/82/61/951568261.db2.gz QMAFEMOAKCXLDL-AWEZNQCLSA-N 1 3 315.458 0.162 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001365847943 951613013 /nfs/dbraw/zinc/61/30/13/951613013.db2.gz HPLKWVPCZFAVSN-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCOC(=O)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001274935004 951902172 /nfs/dbraw/zinc/90/21/72/951902172.db2.gz KOWAMBXXEDVUGM-STQMWFEESA-N 1 3 309.410 0.082 20 0 DCADHO CCOC(=O)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001274935004 951902181 /nfs/dbraw/zinc/90/21/81/951902181.db2.gz KOWAMBXXEDVUGM-STQMWFEESA-N 1 3 309.410 0.082 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001322567949 952025199 /nfs/dbraw/zinc/02/51/99/952025199.db2.gz ATPYCTQYHUMDGF-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3ccnnc3)C[C@H]2CC1 ZINC001275882353 952507018 /nfs/dbraw/zinc/50/70/18/952507018.db2.gz NQYWUZBLFLVZJC-IYBDPMFKSA-N 1 3 317.437 0.709 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3ccnnc3)C[C@H]2CC1 ZINC001275882353 952507021 /nfs/dbraw/zinc/50/70/21/952507021.db2.gz NQYWUZBLFLVZJC-IYBDPMFKSA-N 1 3 317.437 0.709 20 0 DCADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c(=O)[nH]c1=O ZINC001276111022 952919816 /nfs/dbraw/zinc/91/98/16/952919816.db2.gz SSDSLNMCDNZIKJ-AGUYFDCRSA-N 1 3 321.425 0.534 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC(C1CC1)C1CC1 ZINC001340321894 953161583 /nfs/dbraw/zinc/16/15/83/953161583.db2.gz GJZYFCXELXPZGO-UHFFFAOYSA-N 1 3 324.469 0.243 20 0 DCADHO [NH3+]CCNCC(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001341259114 953219316 /nfs/dbraw/zinc/21/93/16/953219316.db2.gz NGSXNCISFMDJIE-KGLIPLIRSA-N 1 3 318.421 0.044 20 0 DCADHO NCc1cc(C(=O)NCCCCCN2CC[NH2+]CC2)ccn1 ZINC001342688197 953302120 /nfs/dbraw/zinc/30/21/20/953302120.db2.gz QWHCZUCQDAXBDW-UHFFFAOYSA-N 1 3 305.426 0.346 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]C[C@@H]2CCOC2)C2CC2)CCC1 ZINC001366041858 953616586 /nfs/dbraw/zinc/61/65/86/953616586.db2.gz YEYSECKVFCUIPP-ZFWWWQNUSA-N 1 3 309.454 0.992 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1)CC(C)(C)C ZINC001366056252 953629657 /nfs/dbraw/zinc/62/96/57/953629657.db2.gz NTNULOJQHWPQAQ-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001366057479 953633086 /nfs/dbraw/zinc/63/30/86/953633086.db2.gz FOVDWDUYSIYRJQ-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366097393 953679839 /nfs/dbraw/zinc/67/98/39/953679839.db2.gz HLSONKBJCMPKJJ-ZDUSSCGKSA-N 1 3 305.426 0.452 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366097131 953680080 /nfs/dbraw/zinc/68/00/80/953680080.db2.gz DLIAITWARKTIAN-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366194491 953805315 /nfs/dbraw/zinc/80/53/15/953805315.db2.gz VBJDOQSBIYPSHF-SOUVJXGZSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001366207534 953822753 /nfs/dbraw/zinc/82/27/53/953822753.db2.gz TWDVSCDMGSRGFH-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNC(=O)CN(C)C2CCC2)C1 ZINC001283074212 953981824 /nfs/dbraw/zinc/98/18/24/953981824.db2.gz FMQDQFGQQJDZHU-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)CN(C)C2CCC2)C1 ZINC001283074212 953981833 /nfs/dbraw/zinc/98/18/33/953981833.db2.gz FMQDQFGQQJDZHU-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001366382263 954130244 /nfs/dbraw/zinc/13/02/44/954130244.db2.gz ZEIYWEOXAMFFEE-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001366405200 954159559 /nfs/dbraw/zinc/15/95/59/954159559.db2.gz DJTZRTWBBMHHME-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)CN(C)C(C)C)C1=O ZINC001366510142 954300513 /nfs/dbraw/zinc/30/05/13/954300513.db2.gz HHFAHDPNQODXSF-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO C/C(=C\C(=O)N[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC001348794081 954469808 /nfs/dbraw/zinc/46/98/08/954469808.db2.gz REGGDECOWJWBGI-RTZSPXFWSA-N 1 3 322.453 0.354 20 0 DCADHO C/C(=C\C(=O)N[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCCN(C)C1 ZINC001348794081 954469810 /nfs/dbraw/zinc/46/98/10/954469810.db2.gz REGGDECOWJWBGI-RTZSPXFWSA-N 1 3 322.453 0.354 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283713497 954551426 /nfs/dbraw/zinc/55/14/26/954551426.db2.gz IMYMEEFEVFWWIQ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283713497 954551434 /nfs/dbraw/zinc/55/14/34/954551434.db2.gz IMYMEEFEVFWWIQ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCn3cncn3)C2)C1 ZINC001366701701 954678673 /nfs/dbraw/zinc/67/86/73/954678673.db2.gz UYKMTWQKUGKIMI-CABCVRRESA-N 1 3 320.441 0.058 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCn3cncn3)C2)C1 ZINC001366701701 954678681 /nfs/dbraw/zinc/67/86/81/954678681.db2.gz UYKMTWQKUGKIMI-CABCVRRESA-N 1 3 320.441 0.058 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001366764345 954796196 /nfs/dbraw/zinc/79/61/96/954796196.db2.gz BLOSMLKEGDFBEU-STQMWFEESA-N 1 3 300.447 0.097 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)CN1C(=O)CN1CCCC1 ZINC001284034162 954796451 /nfs/dbraw/zinc/79/64/51/954796451.db2.gz PQNNYBQOPRJJOR-HIFRSBDPSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001366768913 954810572 /nfs/dbraw/zinc/81/05/72/954810572.db2.gz QDTQOKAKVBBHDN-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001366778477 954834514 /nfs/dbraw/zinc/83/45/14/954834514.db2.gz ZDHUVQSIJZSWON-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001366832004 954906313 /nfs/dbraw/zinc/90/63/13/954906313.db2.gz VDOBLBAQJUCQPH-UONOGXRCSA-N 1 3 314.474 0.630 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367136120 955374107 /nfs/dbraw/zinc/37/41/07/955374107.db2.gz ILSQKEVIKDZZEV-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCCC1 ZINC001367143413 955391972 /nfs/dbraw/zinc/39/19/72/955391972.db2.gz WZVFNSYAXGOAGF-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1n[nH]c(C)n1 ZINC001367144495 955394466 /nfs/dbraw/zinc/39/44/66/955394466.db2.gz ZZWTZACZYQCFSF-GFCCVEGCSA-N 1 3 306.414 0.193 20 0 DCADHO CC[C@H](C(N)=O)[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001367212701 955465387 /nfs/dbraw/zinc/46/53/87/955465387.db2.gz XVBPYBXTKAPDIM-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC2CC2)CCC1 ZINC001367222765 955478596 /nfs/dbraw/zinc/47/85/96/955478596.db2.gz XLLBVFAXMJPPNW-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C ZINC001367282652 955584609 /nfs/dbraw/zinc/58/46/09/955584609.db2.gz BLEPGFBDFCOXBB-UKRRQHHQSA-N 1 3 322.457 0.531 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3C[C@@H]4CCO[C@@H]4C3=O)C[C@H]2C1 ZINC001352761942 955753611 /nfs/dbraw/zinc/75/36/11/955753611.db2.gz SLEGENGMHQPNIX-RBZJEDDUSA-N 1 3 307.438 0.853 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001356226695 956802338 /nfs/dbraw/zinc/80/23/38/956802338.db2.gz AKSGCEXJJURVKR-LCVDJSHPSA-N 1 3 307.438 0.456 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)N(C)C ZINC001292916983 957196843 /nfs/dbraw/zinc/19/68/43/957196843.db2.gz VIDFDKIMNKAHFC-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)N(C)C ZINC001292916983 957196847 /nfs/dbraw/zinc/19/68/47/957196847.db2.gz VIDFDKIMNKAHFC-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001294785022 957590368 /nfs/dbraw/zinc/59/03/68/957590368.db2.gz OSVSNYMJSQKKRZ-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367414246 957787451 /nfs/dbraw/zinc/78/74/51/957787451.db2.gz MPCDIXAXOVQTOJ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367538638 957990864 /nfs/dbraw/zinc/99/08/64/957990864.db2.gz UIPVPLVGEGGKEE-AWEZNQCLSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001367620811 958197386 /nfs/dbraw/zinc/19/73/86/958197386.db2.gz REGJTQWFXBZPTN-CABCVRRESA-N 1 3 311.401 0.733 20 0 DCADHO COc1cc(C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)(C)C)ncn1 ZINC001367673705 958331352 /nfs/dbraw/zinc/33/13/52/958331352.db2.gz DESVDUBFRAAOJF-SNVBAGLBSA-N 1 3 323.397 0.108 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001367709177 958417389 /nfs/dbraw/zinc/41/73/89/958417389.db2.gz QIHQARQGVKOMBT-CJNGLKHVSA-N 1 3 322.453 0.566 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367743764 958484436 /nfs/dbraw/zinc/48/44/36/958484436.db2.gz YGPSSTAUAQVGFC-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001367743764 958484447 /nfs/dbraw/zinc/48/44/47/958484447.db2.gz YGPSSTAUAQVGFC-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298412102 958590511 /nfs/dbraw/zinc/59/05/11/958590511.db2.gz BQAPJYTVRBVZBY-ITDFMYJTSA-N 1 3 319.409 0.001 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001298412102 958590519 /nfs/dbraw/zinc/59/05/19/958590519.db2.gz BQAPJYTVRBVZBY-ITDFMYJTSA-N 1 3 319.409 0.001 20 0 DCADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001548923736 1013183940 /nfs/dbraw/zinc/18/39/40/1013183940.db2.gz ZQZPKUKWUUJEOP-CWRNSKLLSA-N 1 3 300.406 0.877 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCn1nc(C)nc1C)N(C)C ZINC001376853085 958983861 /nfs/dbraw/zinc/98/38/61/958983861.db2.gz FMIGMFVSSGHVBC-RISCZKNCSA-N 1 3 310.446 0.329 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCCN(C)C1=O ZINC001491646004 959006462 /nfs/dbraw/zinc/00/64/62/959006462.db2.gz NMYRBADIGNMOMG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H]1CCCN(C)C1=O ZINC001491646004 959006477 /nfs/dbraw/zinc/00/64/77/959006477.db2.gz NMYRBADIGNMOMG-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001376878552 959046673 /nfs/dbraw/zinc/04/66/73/959046673.db2.gz KYNYQFOSBFTAGZ-QWRGUYRKSA-N 1 3 313.364 0.734 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001376899101 959096872 /nfs/dbraw/zinc/09/68/72/959096872.db2.gz QUBGYJSQBUOKQZ-LSDHHAIUSA-N 1 3 322.453 0.043 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368059958 959162001 /nfs/dbraw/zinc/16/20/01/959162001.db2.gz CXPVNXNGGYUYDQ-BBRMVZONSA-N 1 3 310.442 0.126 20 0 DCADHO CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1)C1CC1 ZINC001376963744 959218246 /nfs/dbraw/zinc/21/82/46/959218246.db2.gz ASKODCRSCLSZOQ-AWEZNQCLSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1ccc(CN[C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001491886322 959353471 /nfs/dbraw/zinc/35/34/71/959353471.db2.gz MPHRYGJQLVDJNQ-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001377067341 959422213 /nfs/dbraw/zinc/42/22/13/959422213.db2.gz MVGLCVGEDQQBNM-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CNC(=O)CN1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368215870 959457974 /nfs/dbraw/zinc/45/79/74/959457974.db2.gz FXFPNZSWHQTGIU-WMLDXEAASA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001368215870 959457983 /nfs/dbraw/zinc/45/79/83/959457983.db2.gz FXFPNZSWHQTGIU-WMLDXEAASA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1nccn1C ZINC001492024000 959557070 /nfs/dbraw/zinc/55/70/70/959557070.db2.gz JMFOKASTHHRHCU-HIFRSBDPSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCc2ccnn2C)CC[N@@H+]1C ZINC001377160713 959597190 /nfs/dbraw/zinc/59/71/90/959597190.db2.gz LCQXWFFTRXHCHM-UKRRQHHQSA-N 1 3 307.442 0.351 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN(C)CCc2ccnn2C)CC[N@H+]1C ZINC001377160713 959597201 /nfs/dbraw/zinc/59/72/01/959597201.db2.gz LCQXWFFTRXHCHM-UKRRQHHQSA-N 1 3 307.442 0.351 20 0 DCADHO CC(C)C[C@@H](C)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001368292269 959625783 /nfs/dbraw/zinc/62/57/83/959625783.db2.gz XPEGYMRJQRVEGY-CABCVRRESA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)C[C@@H](C)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001368292269 959625789 /nfs/dbraw/zinc/62/57/89/959625789.db2.gz XPEGYMRJQRVEGY-CABCVRRESA-N 1 3 311.470 0.926 20 0 DCADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC1CCC1 ZINC001492257818 959766064 /nfs/dbraw/zinc/76/60/64/959766064.db2.gz UICSAWWSTMWCFU-INIZCTEOSA-N 1 3 309.454 0.945 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001377278037 959844460 /nfs/dbraw/zinc/84/44/60/959844460.db2.gz OVHXRBCJBQTJBJ-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001377280485 959849023 /nfs/dbraw/zinc/84/90/23/959849023.db2.gz HZNNZCRGNPIMEM-DZGCQCFKSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001377280665 959850934 /nfs/dbraw/zinc/85/09/34/959850934.db2.gz IIELTSRJBOMDMI-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001377280665 959850944 /nfs/dbraw/zinc/85/09/44/959850944.db2.gz IIELTSRJBOMDMI-WCQYABFASA-N 1 3 308.430 0.391 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001368456832 959893700 /nfs/dbraw/zinc/89/37/00/959893700.db2.gz GEBXDRVYCXZYFK-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](C(=O)NCC[N@H+](CC)C[C@@H]1CCc2ncnn21)N(C)C ZINC001377359352 959973331 /nfs/dbraw/zinc/97/33/31/959973331.db2.gz FIIALVZXYNYVRQ-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@H](C(=O)NCC[N@@H+](CC)C[C@@H]1CCc2ncnn21)N(C)C ZINC001377359352 959973336 /nfs/dbraw/zinc/97/33/36/959973336.db2.gz FIIALVZXYNYVRQ-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001368520516 959974251 /nfs/dbraw/zinc/97/42/51/959974251.db2.gz BMDRIYJQEUTJAO-OKILXGFUSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001368612677 960086953 /nfs/dbraw/zinc/08/69/53/960086953.db2.gz YXHGVKPTRCTHPL-MGPQQGTHSA-N 1 3 306.410 0.782 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001368749103 960223469 /nfs/dbraw/zinc/22/34/69/960223469.db2.gz MNGXWSDRHSTTNQ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368749103 960223477 /nfs/dbraw/zinc/22/34/77/960223477.db2.gz MNGXWSDRHSTTNQ-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO COc1cncc(C[NH2+][C@@H](C)CCNC(=O)CN2CCCC2)n1 ZINC001368750496 960226749 /nfs/dbraw/zinc/22/67/49/960226749.db2.gz WKAFCTZGGANCMJ-ZDUSSCGKSA-N 1 3 321.425 0.565 20 0 DCADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001368811350 960305202 /nfs/dbraw/zinc/30/52/02/960305202.db2.gz PJPZSMRJRLBZKT-PIMMBPRGSA-N 1 3 312.458 0.193 20 0 DCADHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001368813069 960308703 /nfs/dbraw/zinc/30/87/03/960308703.db2.gz XLBLRGBSLCHFPL-SSDMNJCBSA-N 1 3 322.457 0.623 20 0 DCADHO CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC(=O)NC ZINC001378291121 960511178 /nfs/dbraw/zinc/51/11/78/960511178.db2.gz ILYFSQOMLJALJH-HNNXBMFYSA-N 1 3 320.437 0.592 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001378386319 960681831 /nfs/dbraw/zinc/68/18/31/960681831.db2.gz CCLYKWOPSOGFPG-CQSZACIVSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1cnnn1C)C1CC1 ZINC001378415574 960725055 /nfs/dbraw/zinc/72/50/55/960725055.db2.gz HOGUVSOQYCGLES-INIZCTEOSA-N 1 3 322.457 0.530 20 0 DCADHO CCCC[C@H](CNCC(=O)NC)NC(=O)C12CCC[NH+]1CCC2 ZINC001378437651 960754983 /nfs/dbraw/zinc/75/49/83/960754983.db2.gz BZUVUOWEMQGOLE-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001377910684 960960111 /nfs/dbraw/zinc/96/01/11/960960111.db2.gz NHDVPMWBSGNOHR-OLZOCXBDSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001378803919 961509125 /nfs/dbraw/zinc/50/91/25/961509125.db2.gz ZCCUWWALOXAYFN-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CCc1nc([C@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001378806641 961516574 /nfs/dbraw/zinc/51/65/74/961516574.db2.gz FODKYRICCJJDMO-RYUDHWBXSA-N 1 3 310.446 0.816 20 0 DCADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001378836744 961560208 /nfs/dbraw/zinc/56/02/08/961560208.db2.gz AFOVAJZROXPOPL-CHWSQXEVSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001378834728 961569975 /nfs/dbraw/zinc/56/99/75/961569975.db2.gz QMYXUALDFDBVFP-IAQYHMDHSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](CNCC(N)=O)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001378834728 961569993 /nfs/dbraw/zinc/56/99/93/961569993.db2.gz QMYXUALDFDBVFP-IAQYHMDHSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001378834728 961569999 /nfs/dbraw/zinc/56/99/99/961569999.db2.gz QMYXUALDFDBVFP-IAQYHMDHSA-N 1 3 316.421 0.121 20 0 DCADHO C[C@H]([NH2+]C[C@H](C)N(C)C(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001378860634 961618634 /nfs/dbraw/zinc/61/86/34/961618634.db2.gz UAJSGZNAVLAGPB-STQMWFEESA-N 1 3 320.437 0.672 20 0 DCADHO CNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001378919773 961705029 /nfs/dbraw/zinc/70/50/29/961705029.db2.gz KBSLIBUWBCMESJ-UONOGXRCSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H](CNCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001379013675 961879977 /nfs/dbraw/zinc/87/99/77/961879977.db2.gz MUAOREBYQHDJRP-BPLDGKMQSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H](CNCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001379013675 961880002 /nfs/dbraw/zinc/88/00/02/961880002.db2.gz MUAOREBYQHDJRP-BPLDGKMQSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H](CN(C)CCN1CCCC1=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379739568 961904366 /nfs/dbraw/zinc/90/43/66/961904366.db2.gz JHNYXKUIFOIFMF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CN(C)CCN1CCCC1=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379739568 961904377 /nfs/dbraw/zinc/90/43/77/961904377.db2.gz JHNYXKUIFOIFMF-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379123249 962151761 /nfs/dbraw/zinc/15/17/61/962151761.db2.gz CKFVDUYJYGRKJH-HNNXBMFYSA-N 1 3 321.469 0.695 20 0 DCADHO CN(CCc1cnn(C)c1)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379123249 962151776 /nfs/dbraw/zinc/15/17/76/962151776.db2.gz CKFVDUYJYGRKJH-HNNXBMFYSA-N 1 3 321.469 0.695 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C\Cl ZINC001379231374 962417104 /nfs/dbraw/zinc/41/71/04/962417104.db2.gz QVZNKGLJTZSKPC-RBWIOGKGSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C\Cl ZINC001379231374 962417115 /nfs/dbraw/zinc/41/71/15/962417115.db2.gz QVZNKGLJTZSKPC-RBWIOGKGSA-N 1 3 324.252 0.856 20 0 DCADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNC/C(Cl)=C\Cl ZINC001379231374 962417131 /nfs/dbraw/zinc/41/71/31/962417131.db2.gz QVZNKGLJTZSKPC-RBWIOGKGSA-N 1 3 324.252 0.856 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCn1cncn1)N(C)C ZINC001379282561 962534114 /nfs/dbraw/zinc/53/41/14/962534114.db2.gz IKISUKKPEDZHGO-ZIAGYGMSSA-N 1 3 310.446 0.301 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001447293447 1013353786 /nfs/dbraw/zinc/35/37/86/1013353786.db2.gz WZBAOQLBNMVZAB-MRXNPFEDSA-N 1 3 308.470 0.567 20 0 DCADHO C[NH+](C)CCC(=O)N1CCO[C@H](CNCc2cncs2)C1 ZINC001447293022 1013354441 /nfs/dbraw/zinc/35/44/41/1013354441.db2.gz VYSVUFCFCLTOOG-GFCCVEGCSA-N 1 3 312.439 0.412 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001380076205 962618898 /nfs/dbraw/zinc/61/88/98/962618898.db2.gz SRGWXHUEMMUTCB-UPJWGTAASA-N 1 3 312.458 0.193 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001380076205 962618912 /nfs/dbraw/zinc/61/89/12/962618912.db2.gz SRGWXHUEMMUTCB-UPJWGTAASA-N 1 3 312.458 0.193 20 0 DCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001364344773 962931506 /nfs/dbraw/zinc/93/15/06/962931506.db2.gz FZIVLIXBOZGVGL-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC001364344773 962931521 /nfs/dbraw/zinc/93/15/21/962931521.db2.gz FZIVLIXBOZGVGL-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)[C@@H](C)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379451158 962953017 /nfs/dbraw/zinc/95/30/17/962953017.db2.gz NJQWDYCLEZBERA-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NCC(C)(C)C ZINC001379463608 962979872 /nfs/dbraw/zinc/97/98/72/962979872.db2.gz FKNWRXSMXAUUAP-CYBMUJFWSA-N 1 3 314.474 0.583 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)CN2CCOCC2)o1 ZINC001379464655 962982602 /nfs/dbraw/zinc/98/26/02/962982602.db2.gz BXMQZQDVKSLPGO-CHWSQXEVSA-N 1 3 324.425 0.546 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CCCCC2)C1 ZINC001379480230 963020810 /nfs/dbraw/zinc/02/08/10/963020810.db2.gz RVJGBSHBGMWEJP-GOEBONIOSA-N 1 3 311.470 0.975 20 0 DCADHO CC[C@@H](C(=O)NC1(C)CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001380310249 963023432 /nfs/dbraw/zinc/02/34/32/963023432.db2.gz YREPQQVVPNAXGR-KBPBESRZSA-N 1 3 315.458 0.305 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCc2ccc(F)cc2)C1 ZINC001379505382 963081399 /nfs/dbraw/zinc/08/13/99/963081399.db2.gz NUDAMUOJXJDOKJ-GDBMZVCRSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)NCc2ccc(F)cc2)C1 ZINC001379505382 963081413 /nfs/dbraw/zinc/08/14/13/963081413.db2.gz NUDAMUOJXJDOKJ-GDBMZVCRSA-N 1 3 323.412 0.734 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001430371367 1013407350 /nfs/dbraw/zinc/40/73/50/1013407350.db2.gz YODUNOPYFSHWTP-XNISGKROSA-N 1 3 324.469 0.097 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N(C)C)C2 ZINC001380661380 963470744 /nfs/dbraw/zinc/47/07/44/963470744.db2.gz SEDUYSBYIAYAMF-KKUMJFAQSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N(C)C)C2 ZINC001380661380 963470747 /nfs/dbraw/zinc/47/07/47/963470747.db2.gz SEDUYSBYIAYAMF-KKUMJFAQSA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001380731370 963532743 /nfs/dbraw/zinc/53/27/43/963532743.db2.gz HCWDPFKBHCKUGW-WBVHZDCISA-N 1 3 309.454 0.680 20 0 DCADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001381105203 963819326 /nfs/dbraw/zinc/81/93/26/963819326.db2.gz ABVUVTLVFHJDAJ-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001381122296 963828322 /nfs/dbraw/zinc/82/83/22/963828322.db2.gz HTQXALMMYZFQLB-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001381343181 963984759 /nfs/dbraw/zinc/98/47/59/963984759.db2.gz WJRVNZMDPDXXBA-ZBCRRDGASA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)C(=O)N(C)C ZINC001375229960 964154591 /nfs/dbraw/zinc/15/45/91/964154591.db2.gz OSGAJFSJPWFUNC-DOMZBBRYSA-N 1 3 324.469 0.432 20 0 DCADHO Cn1ccc(CNC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C2CC2)n1 ZINC001375236849 964159977 /nfs/dbraw/zinc/15/99/77/964159977.db2.gz BBWNWBWOFAQTGY-HOTGVXAUSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CNC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)n1 ZINC001375236849 964159981 /nfs/dbraw/zinc/15/99/81/964159981.db2.gz BBWNWBWOFAQTGY-HOTGVXAUSA-N 1 3 319.453 0.889 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H](NC(=O)CN(C)C(C)C)C2CC2)C1=O ZINC001375277966 964199594 /nfs/dbraw/zinc/19/95/94/964199594.db2.gz RQCJWIZNPCALND-GJZGRUSLSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001375277018 964199889 /nfs/dbraw/zinc/19/98/89/964199889.db2.gz JUHLEKQYIAQUAG-UONOGXRCSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCc1ccnn1C ZINC001368978860 964228430 /nfs/dbraw/zinc/22/84/30/964228430.db2.gz OFCXQHWKDTZGBX-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCc1ccnn1C ZINC001368978860 964228435 /nfs/dbraw/zinc/22/84/35/964228435.db2.gz OFCXQHWKDTZGBX-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001369152087 964461828 /nfs/dbraw/zinc/46/18/28/964461828.db2.gz HEKKPWWFJUFBHP-IUODEOHRSA-N 1 3 306.410 0.958 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1)N(C)C ZINC001369174969 964487881 /nfs/dbraw/zinc/48/78/81/964487881.db2.gz WIPQWNKQDVUBPH-SYQHCUMBSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1)N(C)C ZINC001369174971 964489509 /nfs/dbraw/zinc/48/95/09/964489509.db2.gz WIPQWNKQDVUBPH-XUXIUFHCSA-N 1 3 312.458 0.288 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](CNCc1cncn1C)C1CC1 ZINC001369226338 964551028 /nfs/dbraw/zinc/55/10/28/964551028.db2.gz UEVSMAWDPZUBQD-GOEBONIOSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](CNCc1cncn1C)C1CC1 ZINC001369226338 964551040 /nfs/dbraw/zinc/55/10/40/964551040.db2.gz UEVSMAWDPZUBQD-GOEBONIOSA-N 1 3 319.453 0.698 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001369281778 964648241 /nfs/dbraw/zinc/64/82/41/964648241.db2.gz NAYXYLWRIVQCBJ-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1)[NH+](C)C ZINC001369292233 964667450 /nfs/dbraw/zinc/66/74/50/964667450.db2.gz KYGBHXYKKRFQPA-ZFWWWQNUSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001369318403 964725777 /nfs/dbraw/zinc/72/57/77/964725777.db2.gz BJTUHKFLMJCEDS-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)C[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001373862970 964726988 /nfs/dbraw/zinc/72/69/88/964726988.db2.gz BUFPNNAAVCDBGW-OKILXGFUSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001373950720 964809537 /nfs/dbraw/zinc/80/95/37/964809537.db2.gz RDRLBDSCNQJXDG-CABCVRRESA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375763747 964811762 /nfs/dbraw/zinc/81/17/62/964811762.db2.gz ADLJSSWGHNYMBA-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375763747 964811771 /nfs/dbraw/zinc/81/17/71/964811771.db2.gz ADLJSSWGHNYMBA-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)NC1CC1 ZINC001373967025 964830938 /nfs/dbraw/zinc/83/09/38/964830938.db2.gz PHMKGGJTMSGQCG-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001369393779 964887694 /nfs/dbraw/zinc/88/76/94/964887694.db2.gz AZBFEHNSXADJKU-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001369412214 964929910 /nfs/dbraw/zinc/92/99/10/964929910.db2.gz XEHNLOQXRIELAC-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001375876027 964952870 /nfs/dbraw/zinc/95/28/70/964952870.db2.gz WYTUEXFCGJUTQV-KRWDZBQOSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001375876299 964953684 /nfs/dbraw/zinc/95/36/84/964953684.db2.gz XZBHLBVVSCHZQU-BBRMVZONSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)N(C)C)C(C)(C)C1)N(C)C ZINC001369438917 964974734 /nfs/dbraw/zinc/97/47/34/964974734.db2.gz DFARRRIHYZZOOY-OLZOCXBDSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001369439722 964978525 /nfs/dbraw/zinc/97/85/25/964978525.db2.gz ZZHRWPSCSDVNRW-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374095964 965007015 /nfs/dbraw/zinc/00/70/15/965007015.db2.gz JHSSFDPNLNABCB-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374095964 965007029 /nfs/dbraw/zinc/00/70/29/965007029.db2.gz JHSSFDPNLNABCB-KGLIPLIRSA-N 1 3 307.442 0.604 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001369457748 965010490 /nfs/dbraw/zinc/01/04/90/965010490.db2.gz NOUMYCUXGSTJJH-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001369457748 965010503 /nfs/dbraw/zinc/01/05/03/965010503.db2.gz NOUMYCUXGSTJJH-KBPBESRZSA-N 1 3 324.469 0.289 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001374179785 965098849 /nfs/dbraw/zinc/09/88/49/965098849.db2.gz LXHLQELDYUUMCS-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001374179785 965098860 /nfs/dbraw/zinc/09/88/60/965098860.db2.gz LXHLQELDYUUMCS-AWEZNQCLSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)N(CCN(C)CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001369530650 965143073 /nfs/dbraw/zinc/14/30/73/965143073.db2.gz TXFBPXRAGGGNQI-UHFFFAOYSA-N 1 3 315.458 0.258 20 0 DCADHO C[C@H](O)CN1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001376068422 965154801 /nfs/dbraw/zinc/15/48/01/965154801.db2.gz JBQDEYZZYATILR-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)NCC1CC(NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001369642892 965243747 /nfs/dbraw/zinc/24/37/47/965243747.db2.gz ZEVAUZHBDJETAY-JXQTWKCFSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303285 965253296 /nfs/dbraw/zinc/25/32/96/965253296.db2.gz IPYDWCWHDZETEN-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303291 965253329 /nfs/dbraw/zinc/25/33/29/965253329.db2.gz IPYDWCWHDZETEN-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCn1cc(CCN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001376151300 965294553 /nfs/dbraw/zinc/29/45/53/965294553.db2.gz NASMWDKHBZHSAK-INIZCTEOSA-N 1 3 321.469 0.978 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001374377448 965323691 /nfs/dbraw/zinc/32/36/91/965323691.db2.gz LGQPUEFTTHYCEM-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001369718247 965332250 /nfs/dbraw/zinc/33/22/50/965332250.db2.gz DRMQJRXJQRWZBR-NEPJUHHUSA-N 1 3 323.441 0.612 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001369718247 965332261 /nfs/dbraw/zinc/33/22/61/965332261.db2.gz DRMQJRXJQRWZBR-NEPJUHHUSA-N 1 3 323.441 0.612 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001374390155 965333651 /nfs/dbraw/zinc/33/36/51/965333651.db2.gz WKWVEYVMQHPJNV-OCCSQVGLSA-N 1 3 321.425 0.303 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001447827388 1013573783 /nfs/dbraw/zinc/57/37/83/1013573783.db2.gz ZBOGPEWQOSVXLK-NRXISQOPSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001430552695 1013578320 /nfs/dbraw/zinc/57/83/20/1013578320.db2.gz PJMKJZXDNISRCZ-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001430552695 1013578325 /nfs/dbraw/zinc/57/83/25/1013578325.db2.gz PJMKJZXDNISRCZ-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001376298106 965494418 /nfs/dbraw/zinc/49/44/18/965494418.db2.gz SUTILYXXJGDLPO-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CCCN(C)CC(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376298106 965494424 /nfs/dbraw/zinc/49/44/24/965494424.db2.gz SUTILYXXJGDLPO-AWEZNQCLSA-N 1 3 312.458 0.197 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001376350911 965554229 /nfs/dbraw/zinc/55/42/29/965554229.db2.gz CNEUWKQEAKKCTR-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO CCN(C)C(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001369935592 965584656 /nfs/dbraw/zinc/58/46/56/965584656.db2.gz CSBZGRKDKQMXPC-ZDUSSCGKSA-N 1 3 314.474 0.632 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001374605753 965624726 /nfs/dbraw/zinc/62/47/26/965624726.db2.gz QNRLYIKUERTFNI-FVQBIDKESA-N 1 3 320.437 0.297 20 0 DCADHO Cc1cncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001374605753 965624735 /nfs/dbraw/zinc/62/47/35/965624735.db2.gz QNRLYIKUERTFNI-FVQBIDKESA-N 1 3 320.437 0.297 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001370112418 965785098 /nfs/dbraw/zinc/78/50/98/965785098.db2.gz FXXVMBOHMNLIGT-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001374705452 965784958 /nfs/dbraw/zinc/78/49/58/965784958.db2.gz PRODPKSYBFDWLG-RYUDHWBXSA-N 1 3 300.447 0.323 20 0 DCADHO CCCN(C)CC(=O)N1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001370112418 965785104 /nfs/dbraw/zinc/78/51/04/965785104.db2.gz FXXVMBOHMNLIGT-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001374723753 965814252 /nfs/dbraw/zinc/81/42/52/965814252.db2.gz NXTBCJUYWFKUGW-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001376558452 965826699 /nfs/dbraw/zinc/82/66/99/965826699.db2.gz CRDMCOOPSJYXRS-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001376567773 965838071 /nfs/dbraw/zinc/83/80/71/965838071.db2.gz IXQRYQFQMUEGKD-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001376608533 965886485 /nfs/dbraw/zinc/88/64/85/965886485.db2.gz IIVHPVYCVNVSPO-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001374768325 965892031 /nfs/dbraw/zinc/89/20/31/965892031.db2.gz WIRZIISGEPXUGG-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001374768325 965892042 /nfs/dbraw/zinc/89/20/42/965892042.db2.gz WIRZIISGEPXUGG-HIFRSBDPSA-N 1 3 307.442 0.889 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C2CC2)n[nH]1 ZINC001370266060 965936343 /nfs/dbraw/zinc/93/63/43/965936343.db2.gz PKHXTJAETVDFPN-ZDUSSCGKSA-N 1 3 318.425 0.193 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001374854141 966035639 /nfs/dbraw/zinc/03/56/39/966035639.db2.gz RQRUSWRCSMYJHP-VXGBXAGGSA-N 1 3 306.410 0.330 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)CC(C)(C)C ZINC001370392977 966077372 /nfs/dbraw/zinc/07/73/72/966077372.db2.gz VISTVSHFPPLLTP-AWEZNQCLSA-N 1 3 322.457 0.447 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001374963311 966180151 /nfs/dbraw/zinc/18/01/51/966180151.db2.gz DDPRPINPDPYSKG-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001370520583 966210331 /nfs/dbraw/zinc/21/03/31/966210331.db2.gz JOLQGKGGZGIRNF-IHRRRGAJSA-N 1 3 310.442 0.186 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COC)C1)N(C)C ZINC001370754326 966444393 /nfs/dbraw/zinc/44/43/93/966444393.db2.gz RAXOMBUZBDCOPL-SOUVJXGZSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1)N(C)C ZINC001370754326 966444398 /nfs/dbraw/zinc/44/43/98/966444398.db2.gz RAXOMBUZBDCOPL-SOUVJXGZSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@H]1CCCN(CCF)C1 ZINC001370791551 966482276 /nfs/dbraw/zinc/48/22/76/966482276.db2.gz ORLQUIOTILWRMA-LSDHHAIUSA-N 1 3 315.433 0.752 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](CCF)C1 ZINC001370791551 966482289 /nfs/dbraw/zinc/48/22/89/966482289.db2.gz ORLQUIOTILWRMA-LSDHHAIUSA-N 1 3 315.433 0.752 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](CCF)C1 ZINC001370791551 966482300 /nfs/dbraw/zinc/48/23/00/966482300.db2.gz ORLQUIOTILWRMA-LSDHHAIUSA-N 1 3 315.433 0.752 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001381521482 966495088 /nfs/dbraw/zinc/49/50/88/966495088.db2.gz YGNYNYZISRBVPK-CABCVRRESA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001381521482 966495095 /nfs/dbraw/zinc/49/50/95/966495095.db2.gz YGNYNYZISRBVPK-CABCVRRESA-N 1 3 322.457 0.587 20 0 DCADHO Cc1nn(C)cc1CN[C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447935746 1013658050 /nfs/dbraw/zinc/65/80/50/1013658050.db2.gz SSHZSVPWAYYRAZ-OLZOCXBDSA-N 1 3 319.453 0.807 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)CCn1cccn1)[NH+](C)C ZINC001381579701 966551287 /nfs/dbraw/zinc/55/12/87/966551287.db2.gz WWJDDYFOQLNFKH-LSDHHAIUSA-N 1 3 309.458 0.906 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2CNCC(N)=O)CC1 ZINC001370935475 966597995 /nfs/dbraw/zinc/59/79/95/966597995.db2.gz ANYJBPBHZOENSG-HNNXBMFYSA-N 1 3 324.469 0.563 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001370968471 966629362 /nfs/dbraw/zinc/62/93/62/966629362.db2.gz UUFZLENBJQOFHC-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001371199785 966808154 /nfs/dbraw/zinc/80/81/54/966808154.db2.gz IYFDLJHVLQKRII-NEPJUHHUSA-N 1 3 310.442 0.232 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001382043669 966884697 /nfs/dbraw/zinc/88/46/97/966884697.db2.gz OVASJFKUNBBVFV-GJZGRUSLSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001382043672 966885170 /nfs/dbraw/zinc/88/51/70/966885170.db2.gz OVASJFKUNBBVFV-HUUCEWRRSA-N 1 3 322.453 0.043 20 0 DCADHO CCN1CC[C@H](N[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001371308204 966890132 /nfs/dbraw/zinc/89/01/32/966890132.db2.gz PLYZUEUPWAFUPT-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)C1 ZINC001371319252 966898652 /nfs/dbraw/zinc/89/86/52/966898652.db2.gz CMNJMBDSDWVRIV-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)C1 ZINC001371319252 966898660 /nfs/dbraw/zinc/89/86/60/966898660.db2.gz CMNJMBDSDWVRIV-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001382091174 966930867 /nfs/dbraw/zinc/93/08/67/966930867.db2.gz UIWIWMDFODYCJW-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1CCCC1=O)N(C)C ZINC001382136612 966970858 /nfs/dbraw/zinc/97/08/58/966970858.db2.gz XCZNZOTUHMQEFZ-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)CC[N@H+](C)CC)C1=O ZINC001382145162 966979181 /nfs/dbraw/zinc/97/91/81/966979181.db2.gz YAGFVHBDTSDCLR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)CC[N@@H+](C)CC)C1=O ZINC001382145162 966979186 /nfs/dbraw/zinc/97/91/86/966979186.db2.gz YAGFVHBDTSDCLR-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001382564534 967499919 /nfs/dbraw/zinc/49/99/19/967499919.db2.gz MHVQHPPIAVZQGW-JXQTWKCFSA-N 1 3 310.442 0.184 20 0 DCADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001382590642 967524957 /nfs/dbraw/zinc/52/49/57/967524957.db2.gz RIIIPKVESIQNQC-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)CCn1cc(Cl)cn1 ZINC001448093618 1013749594 /nfs/dbraw/zinc/74/95/94/1013749594.db2.gz ZAOWXRFGAPLZLU-GFCCVEGCSA-N 1 3 315.849 0.925 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001430892753 1013783181 /nfs/dbraw/zinc/78/31/81/1013783181.db2.gz QKEFQUGMHXBVAQ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001373089368 968702412 /nfs/dbraw/zinc/70/24/12/968702412.db2.gz QAQSQGIBAVMFCE-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001373089368 968702422 /nfs/dbraw/zinc/70/24/22/968702422.db2.gz QAQSQGIBAVMFCE-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[NH+]1CCN(CCN(C)C(=O)CN(C)C2CCC2)CC1 ZINC001373260049 968865726 /nfs/dbraw/zinc/86/57/26/968865726.db2.gz RVNTXTZRDNYLKK-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H]1CC[C@H](CN2CC(CNC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001373532256 969194228 /nfs/dbraw/zinc/19/42/28/969194228.db2.gz PUVMHSBOUWAZQL-DZGCQCFKSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(CCC[C@H](C)O)C1 ZINC001448331656 1013874360 /nfs/dbraw/zinc/87/43/60/1013874360.db2.gz VDKOTZVNMJUIPN-UONOGXRCSA-N 1 3 311.470 0.926 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)CC1 ZINC001448511191 1013937385 /nfs/dbraw/zinc/93/73/85/1013937385.db2.gz QKEDXRBVGPKVIE-HAQNSBGRSA-N 1 3 323.466 0.864 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001448555145 1013949809 /nfs/dbraw/zinc/94/98/09/1013949809.db2.gz RWNPLXSAIBBGKY-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001448555145 1013949813 /nfs/dbraw/zinc/94/98/13/1013949813.db2.gz RWNPLXSAIBBGKY-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001448590185 1013959674 /nfs/dbraw/zinc/95/96/74/1013959674.db2.gz DKGBQCAMOSZNJL-ZDUSSCGKSA-N 1 3 310.442 0.173 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001448644051 1013979523 /nfs/dbraw/zinc/97/95/23/1013979523.db2.gz AVSIRWSMZHOWRQ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001448644051 1013979525 /nfs/dbraw/zinc/97/95/25/1013979525.db2.gz AVSIRWSMZHOWRQ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1c([C@@H]2CN(CC[C@H]3CCC[N@@H+]3C)C[C@H]2C(N)=O)cnn1C ZINC001549530339 1014298338 /nfs/dbraw/zinc/29/83/38/1014298338.db2.gz VVZXMTWAXZAVBB-VNQPRFMTSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2CN(CC[C@H]3CCC[N@H+]3C)C[C@H]2C(N)=O)cnn1C ZINC001549530339 1014298349 /nfs/dbraw/zinc/29/83/49/1014298349.db2.gz VVZXMTWAXZAVBB-VNQPRFMTSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2C[N@H+](CC[C@H]3CCCN3C)C[C@H]2C(N)=O)cnn1C ZINC001549530339 1014298361 /nfs/dbraw/zinc/29/83/61/1014298361.db2.gz VVZXMTWAXZAVBB-VNQPRFMTSA-N 1 3 319.453 0.714 20 0 DCADHO Cc1c([C@@H]2C[N@@H+](CC[C@H]3CCCN3C)C[C@H]2C(N)=O)cnn1C ZINC001549530339 1014298368 /nfs/dbraw/zinc/29/83/68/1014298368.db2.gz VVZXMTWAXZAVBB-VNQPRFMTSA-N 1 3 319.453 0.714 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]34CCC[C@@H]3C[NH2+]C4)C2)nn1 ZINC001549902270 1014485802 /nfs/dbraw/zinc/48/58/02/1014485802.db2.gz VHNQAQXOVYHFLV-XPKDYRNWSA-N 1 3 318.425 0.290 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001550030513 1014532487 /nfs/dbraw/zinc/53/24/87/1014532487.db2.gz WGSQRYKDAKQZIU-ARFHVFGLSA-N 1 3 322.453 0.464 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001550030513 1014532497 /nfs/dbraw/zinc/53/24/97/1014532497.db2.gz WGSQRYKDAKQZIU-ARFHVFGLSA-N 1 3 322.453 0.464 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090878 1014559983 /nfs/dbraw/zinc/55/99/83/1014559983.db2.gz XOSYHSCDZYWNQB-CQSZACIVSA-N 1 3 321.425 0.110 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC001550108782 1014574693 /nfs/dbraw/zinc/57/46/93/1014574693.db2.gz RFNXADKOWDIPDM-WIGRTHMWSA-N 1 3 322.453 0.043 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC001550121838 1014587890 /nfs/dbraw/zinc/58/78/90/1014587890.db2.gz ADAJSGBRHHUJRA-BFHYXJOUSA-N 1 3 318.425 0.511 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001550195744 1014621314 /nfs/dbraw/zinc/62/13/14/1014621314.db2.gz GIYIEPIBRSUOBE-CYBMUJFWSA-N 1 3 308.426 0.071 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202498 1014625281 /nfs/dbraw/zinc/62/52/81/1014625281.db2.gz OHCXVNLRHNPRBZ-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001550200344 1014625987 /nfs/dbraw/zinc/62/59/87/1014625987.db2.gz IEUHABPGZSDASG-ZIAGYGMSSA-N 1 3 322.453 0.446 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC001550203688 1014626175 /nfs/dbraw/zinc/62/61/75/1014626175.db2.gz QPGVPRPQOLJTDA-CQSZACIVSA-N 1 3 322.453 0.446 20 0 DCADHO CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(C)C1 ZINC001550284577 1014651629 /nfs/dbraw/zinc/65/16/29/1014651629.db2.gz TWQQWARTUMVFFE-KBPBESRZSA-N 1 3 310.442 0.491 20 0 DCADHO Cn1nccc1[C@H]1[C@@H](CN[C@@H]2C[NH2+]CCOC2)CCCN1C ZINC001550473895 1014718858 /nfs/dbraw/zinc/71/88/58/1014718858.db2.gz TVYJAMMPDBVQTN-IIAWOOMASA-N 1 3 307.442 0.381 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001550722240 1014817329 /nfs/dbraw/zinc/81/73/29/1014817329.db2.gz GDNYVEATANVACY-XUWVNRHRSA-N 1 3 301.390 0.337 20 0 DCADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)C[C@H]21 ZINC001550748354 1014833946 /nfs/dbraw/zinc/83/39/46/1014833946.db2.gz RQBBRTVFAKCGJW-APIJFGDWSA-N 1 3 324.469 0.471 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC001550980035 1014928136 /nfs/dbraw/zinc/92/81/36/1014928136.db2.gz BYPLZALLCZMECD-GJZGRUSLSA-N 1 3 310.442 0.585 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC001550980035 1014928146 /nfs/dbraw/zinc/92/81/46/1014928146.db2.gz BYPLZALLCZMECD-GJZGRUSLSA-N 1 3 310.442 0.585 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CCC[C@@H]1C ZINC001383097994 984671597 /nfs/dbraw/zinc/67/15/97/984671597.db2.gz MSTUTSPWLNHYKN-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001384064476 985330739 /nfs/dbraw/zinc/33/07/39/985330739.db2.gz FUTOTTBVRJNQRY-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001384102321 985363375 /nfs/dbraw/zinc/36/33/75/985363375.db2.gz HLOFZRXYGYQVIM-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001384116896 985372735 /nfs/dbraw/zinc/37/27/35/985372735.db2.gz BDBYHZMBMKXOKI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1CC12CCC(NC(=O)N[C@H]1CCCN(CCCO)C1)CC2 ZINC001551566580 1015141711 /nfs/dbraw/zinc/14/17/11/1015141711.db2.gz GZUBHASQCJMALS-KRIMKBQASA-N 1 3 324.469 0.792 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001385189448 986146439 /nfs/dbraw/zinc/14/64/39/986146439.db2.gz OLKUYYXIXXYRBO-UKRRQHHQSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001385315666 986244705 /nfs/dbraw/zinc/24/47/05/986244705.db2.gz FOCMPURUCQGJKO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001385315666 986244713 /nfs/dbraw/zinc/24/47/13/986244713.db2.gz FOCMPURUCQGJKO-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001385867484 986643434 /nfs/dbraw/zinc/64/34/34/986643434.db2.gz YPOKKSOLPUUXCJ-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001385867484 986643439 /nfs/dbraw/zinc/64/34/39/986643439.db2.gz YPOKKSOLPUUXCJ-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001386280875 987030856 /nfs/dbraw/zinc/03/08/56/987030856.db2.gz ZWAOMAXQSLBPMG-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001386314422 987063322 /nfs/dbraw/zinc/06/33/22/987063322.db2.gz QUHJNQSLMIERDW-IGQOVBAYSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001386314422 987063329 /nfs/dbraw/zinc/06/33/29/987063329.db2.gz QUHJNQSLMIERDW-IGQOVBAYSA-N 1 3 310.442 0.042 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)N2CCN[C@H](C(C)C)C2)cnn1C ZINC001552162461 1015297405 /nfs/dbraw/zinc/29/74/05/1015297405.db2.gz AIUIRLUWHYZEHU-XHSDSOJGSA-N 1 3 319.453 0.488 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001386831125 987436123 /nfs/dbraw/zinc/43/61/23/987436123.db2.gz YXSMRHFICUHUGF-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)[C@@H]1CCCN1C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001386831125 987436132 /nfs/dbraw/zinc/43/61/32/987436132.db2.gz YXSMRHFICUHUGF-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001387107279 987637669 /nfs/dbraw/zinc/63/76/69/987637669.db2.gz HMJRYJNUODIPCH-CABCVRRESA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001387818677 988180840 /nfs/dbraw/zinc/18/08/40/988180840.db2.gz PLJDCILDPQKYKS-KBPBESRZSA-N 1 3 312.458 0.099 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001387818677 988180843 /nfs/dbraw/zinc/18/08/43/988180843.db2.gz PLJDCILDPQKYKS-KBPBESRZSA-N 1 3 312.458 0.099 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001388348829 988221274 /nfs/dbraw/zinc/22/12/74/988221274.db2.gz WFUJWOOOIJAJGQ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001388723001 988537808 /nfs/dbraw/zinc/53/78/08/988537808.db2.gz BZXZGFZLNXQPOD-KBUPBQIOSA-N 1 3 324.469 0.288 20 0 DCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+](C)C)C(N)=O ZINC001388767930 988570304 /nfs/dbraw/zinc/57/03/04/988570304.db2.gz VISRPMHFYUPMEU-MCIONIFRSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)C23CCC[NH+]2CCC3)C1)N(C)C ZINC001389308228 989096967 /nfs/dbraw/zinc/09/69/67/989096967.db2.gz CUIBOMRWBPFHEB-CQSZACIVSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001389768658 989556627 /nfs/dbraw/zinc/55/66/27/989556627.db2.gz AQJBZUHMDFKQKS-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCO[C@@H]1CN(C(=O)c2cc(CN)n3c2CCCC3)C[C@@H]1C[NH3+] ZINC001552688733 1015492953 /nfs/dbraw/zinc/49/29/53/1015492953.db2.gz BVSIIRXUNDNAQQ-BLLLJJGKSA-N 1 3 320.437 0.719 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)n[nH]1 ZINC001389878538 989656887 /nfs/dbraw/zinc/65/68/87/989656887.db2.gz FGSWHECSTOVPPG-DRZSPHRISA-N 1 3 320.441 0.753 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001389894201 989668554 /nfs/dbraw/zinc/66/85/54/989668554.db2.gz CNOFOWCDFHHCHR-IIAWOOMASA-N 1 3 324.469 0.336 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001390004083 989740812 /nfs/dbraw/zinc/74/08/12/989740812.db2.gz SKRGNNBZCQDDGE-HZSPNIEDSA-N 1 3 310.442 0.232 20 0 DCADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001390407615 990071995 /nfs/dbraw/zinc/07/19/95/990071995.db2.gz HPIPTTXYSHYRPP-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001390593565 990228619 /nfs/dbraw/zinc/22/86/19/990228619.db2.gz PJKDQZSCQMQTKC-DZGCQCFKSA-N 1 3 312.458 0.099 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)CCn2cncn2)C1 ZINC001390632346 990259326 /nfs/dbraw/zinc/25/93/26/990259326.db2.gz KCZLDUCBUBSIFJ-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)CCn2cncn2)C1 ZINC001390632346 990259332 /nfs/dbraw/zinc/25/93/32/990259332.db2.gz KCZLDUCBUBSIFJ-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001390862099 990444125 /nfs/dbraw/zinc/44/41/25/990444125.db2.gz MXYPBXKUBFCOED-HNNXBMFYSA-N 1 3 307.442 0.445 20 0 DCADHO CCn1cc(CCN(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001390862099 990444130 /nfs/dbraw/zinc/44/41/30/990444130.db2.gz MXYPBXKUBFCOED-HNNXBMFYSA-N 1 3 307.442 0.445 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001391210291 990671031 /nfs/dbraw/zinc/67/10/31/990671031.db2.gz PCQMQSGSUPUDCR-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001391210291 990671036 /nfs/dbraw/zinc/67/10/36/990671036.db2.gz PCQMQSGSUPUDCR-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001391215760 990675416 /nfs/dbraw/zinc/67/54/16/990675416.db2.gz VFMDPWKIYUHLMT-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)CN1CCC([NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC001553023270 1015589994 /nfs/dbraw/zinc/58/99/94/1015589994.db2.gz HGYRQZBCEMBIME-CWRNSKLLSA-N 1 3 308.470 0.563 20 0 DCADHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)N(C)C)C1CC1)N(C)C ZINC001391794706 991189185 /nfs/dbraw/zinc/18/91/85/991189185.db2.gz GUOFEDNKPJQPIW-CJNGLKHVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCCC[C@@]1(CNCC(N)=O)NC(=O)CCC[NH+](C)C ZINC001391804142 991194070 /nfs/dbraw/zinc/19/40/70/991194070.db2.gz FWRATKXXGDJDLQ-BBRMVZONSA-N 1 3 312.458 0.468 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)[NH+]1CCCCCC1 ZINC001391861190 991232353 /nfs/dbraw/zinc/23/23/53/991232353.db2.gz DUUUQDQRNKFRNZ-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC001392026370 991407881 /nfs/dbraw/zinc/40/78/81/991407881.db2.gz WKLHRLXDHRLFCE-UHFFFAOYSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392134859 991532041 /nfs/dbraw/zinc/53/20/41/991532041.db2.gz PRFHPTHHGBAZJV-YPMHNXCESA-N 1 3 320.441 0.570 20 0 DCADHO C[C@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392134859 991532051 /nfs/dbraw/zinc/53/20/51/991532051.db2.gz PRFHPTHHGBAZJV-YPMHNXCESA-N 1 3 320.441 0.570 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001392168920 991570395 /nfs/dbraw/zinc/57/03/95/991570395.db2.gz OUHCJPUVOJFTSK-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553220215 1015645100 /nfs/dbraw/zinc/64/51/00/1015645100.db2.gz IKPSABPICZYACT-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553220215 1015645104 /nfs/dbraw/zinc/64/51/04/1015645104.db2.gz IKPSABPICZYACT-OWCLPIDISA-N 1 3 324.469 0.711 20 0 DCADHO CCn1cc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)nn1 ZINC001392184552 991586020 /nfs/dbraw/zinc/58/60/20/991586020.db2.gz OINKYSAATZOBAA-ZFWWWQNUSA-N 1 3 322.457 0.576 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(N)=O ZINC001392191618 991590625 /nfs/dbraw/zinc/59/06/25/991590625.db2.gz FCYWOMZBJSNBSQ-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(N)=O ZINC001392191618 991590635 /nfs/dbraw/zinc/59/06/35/991590635.db2.gz FCYWOMZBJSNBSQ-KBPBESRZSA-N 1 3 312.458 0.420 20 0 DCADHO CN1C(=O)N[C@@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC[C@H]21 ZINC001553301394 1015665424 /nfs/dbraw/zinc/66/54/24/1015665424.db2.gz DHXBYEROSCXCGG-MGPQQGTHSA-N 1 3 308.426 0.243 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C)cs1 ZINC001392434395 991925031 /nfs/dbraw/zinc/92/50/31/991925031.db2.gz XJNQBTLXMHTETN-CQSZACIVSA-N 1 3 313.467 0.963 20 0 DCADHO CC[C@H](C)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392525951 992047962 /nfs/dbraw/zinc/04/79/62/992047962.db2.gz WSXPECBLSIERRB-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](C[N@H+](C)CCc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001392657430 992221170 /nfs/dbraw/zinc/22/11/70/992221170.db2.gz ALFBSEJWYMIVMD-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](C[N@@H+](C)CCc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001392657430 992221180 /nfs/dbraw/zinc/22/11/80/992221180.db2.gz ALFBSEJWYMIVMD-AWEZNQCLSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@H](CN(C)CCc1ccnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392718102 992314212 /nfs/dbraw/zinc/31/42/12/992314212.db2.gz KBLJEGCPNAWJDV-CQSZACIVSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001392789590 992398581 /nfs/dbraw/zinc/39/85/81/992398581.db2.gz RJHRAIHCVHJLNM-INIZCTEOSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392813788 992420565 /nfs/dbraw/zinc/42/05/65/992420565.db2.gz SYBBRYFSZUULOK-ZBFHGGJFSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392813788 992420569 /nfs/dbraw/zinc/42/05/69/992420569.db2.gz SYBBRYFSZUULOK-ZBFHGGJFSA-N 1 3 319.453 0.665 20 0 DCADHO C[C@H]([NH2+]CCn1cncn1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393397405 992945663 /nfs/dbraw/zinc/94/56/63/992945663.db2.gz VTXKQSJZEONCFX-STQMWFEESA-N 1 3 317.397 0.071 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001393402369 992949444 /nfs/dbraw/zinc/94/94/44/992949444.db2.gz VHCLTOWQCRLXME-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2nccn2C)C1 ZINC001393402369 992949452 /nfs/dbraw/zinc/94/94/52/992949452.db2.gz VHCLTOWQCRLXME-CABCVRRESA-N 1 3 321.469 0.946 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)OC)C1 ZINC001393587816 993107731 /nfs/dbraw/zinc/10/77/31/993107731.db2.gz TWBGXORIJGMQTF-KGLIPLIRSA-N 1 3 301.431 0.180 20 0 DCADHO C[C@H](C(=O)NC1CC1)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001393592668 993110854 /nfs/dbraw/zinc/11/08/54/993110854.db2.gz GWWLSQZPMWCADP-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)COC)CC1)N(C)C ZINC001393601929 993117614 /nfs/dbraw/zinc/11/76/14/993117614.db2.gz RGYRPZSOIHBZLL-QLFBSQMISA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COC)CC1)N(C)C ZINC001393601929 993117615 /nfs/dbraw/zinc/11/76/15/993117615.db2.gz RGYRPZSOIHBZLL-QLFBSQMISA-N 1 3 315.458 0.305 20 0 DCADHO CN(CCC[N@H+](C)CCN1CCCC1=O)C(=O)CN1CCCC1 ZINC001393644812 993150980 /nfs/dbraw/zinc/15/09/80/993150980.db2.gz QDCOFXHPWRRJPL-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CN(CCC[N@@H+](C)CCN1CCCC1=O)C(=O)CN1CCCC1 ZINC001393644812 993150986 /nfs/dbraw/zinc/15/09/86/993150986.db2.gz QDCOFXHPWRRJPL-UHFFFAOYSA-N 1 3 324.469 0.485 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C)([NH2+]CC(=O)N(C)C)CC1 ZINC001393750169 993223429 /nfs/dbraw/zinc/22/34/29/993223429.db2.gz ZQQAJTAYHRNNIG-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1CCn1cncn1 ZINC001393781191 993247951 /nfs/dbraw/zinc/24/79/51/993247951.db2.gz FMPZLIPEFPNHKI-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N(C)CC(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC001393833378 993285632 /nfs/dbraw/zinc/28/56/32/993285632.db2.gz DBESSUMLUBJFON-UHFFFAOYSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001394495092 993767441 /nfs/dbraw/zinc/76/74/41/993767441.db2.gz IPRFFGSYDFZIID-TZMCWYRMSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCCC1 ZINC001400092376 994148642 /nfs/dbraw/zinc/14/86/42/994148642.db2.gz UEAMGRMREKUNRB-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001400422955 994498189 /nfs/dbraw/zinc/49/81/89/994498189.db2.gz LUIZHLOEIUNNRP-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001400422955 994498199 /nfs/dbraw/zinc/49/81/99/994498199.db2.gz LUIZHLOEIUNNRP-QLFBSQMISA-N 1 3 324.469 0.384 20 0 DCADHO CN(CC(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1)C1CCC1 ZINC001400503284 994595303 /nfs/dbraw/zinc/59/53/03/994595303.db2.gz FPLUQLVLYCXYIV-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1nccc1CNC[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401016599 995116202 /nfs/dbraw/zinc/11/62/02/995116202.db2.gz BPMYQVKYGQASSZ-CXAGYDPISA-N 1 3 319.453 0.746 20 0 DCADHO Cn1nccc1CNC[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401016599 995116210 /nfs/dbraw/zinc/11/62/10/995116210.db2.gz BPMYQVKYGQASSZ-CXAGYDPISA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001397129849 995814685 /nfs/dbraw/zinc/81/46/85/995814685.db2.gz FCJORVIKMQOGNY-XUXIUFHCSA-N 1 3 312.458 0.321 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001397663585 996122528 /nfs/dbraw/zinc/12/25/28/996122528.db2.gz MHIKWWKCEVVBOF-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)CC)C1)N(C)C ZINC001397696896 996135869 /nfs/dbraw/zinc/13/58/69/996135869.db2.gz ZPFMKRAAAMJKJA-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](CNCC(N)=O)C1 ZINC001397729648 996145944 /nfs/dbraw/zinc/14/59/44/996145944.db2.gz WAMPSNOVASDFMN-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO Cc1nc(CN[C@@H](C)CN(C)C(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001507130395 1016010983 /nfs/dbraw/zinc/01/09/83/1016010983.db2.gz OJWFVKCOWFNXMX-LBPRGKRZSA-N 1 3 322.457 0.782 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001397982017 996292766 /nfs/dbraw/zinc/29/27/66/996292766.db2.gz DZXIQLCVICLUNY-MCIONIFRSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001397982017 996292773 /nfs/dbraw/zinc/29/27/73/996292773.db2.gz DZXIQLCVICLUNY-MCIONIFRSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001398045862 996332619 /nfs/dbraw/zinc/33/26/19/996332619.db2.gz YQNJQGZQUZFTJB-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001398216446 996414406 /nfs/dbraw/zinc/41/44/06/996414406.db2.gz QIQMRHGAXPTEJE-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001398418518 996508022 /nfs/dbraw/zinc/50/80/22/996508022.db2.gz XCTLACFODSNGHS-RISCZKNCSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001398477585 996536268 /nfs/dbraw/zinc/53/62/68/996536268.db2.gz SHGILWJFMQYSPP-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(C)CCc1cnn(C)c1 ZINC001492873310 996549268 /nfs/dbraw/zinc/54/92/68/996549268.db2.gz BZBGLDOUGHSLNV-HUUCEWRRSA-N 1 3 321.469 0.883 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001398528697 996554754 /nfs/dbraw/zinc/55/47/54/996554754.db2.gz VOOIYCSTIJDCMR-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001398528697 996554758 /nfs/dbraw/zinc/55/47/58/996554758.db2.gz VOOIYCSTIJDCMR-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)NC1CC1 ZINC001502738843 1016049243 /nfs/dbraw/zinc/04/92/43/1016049243.db2.gz UGRUYVAHKBVCGP-GXTWGEPZSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC(=O)NC1CC1 ZINC001502754143 1016056450 /nfs/dbraw/zinc/05/64/50/1016056450.db2.gz LXFCLEIYWUAYBT-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001398918890 996749388 /nfs/dbraw/zinc/74/93/88/996749388.db2.gz IRMBZCFDNGVOBD-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001398918890 996749389 /nfs/dbraw/zinc/74/93/89/996749389.db2.gz IRMBZCFDNGVOBD-YRGRVCCFSA-N 1 3 310.442 0.042 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001398949370 996768313 /nfs/dbraw/zinc/76/83/13/996768313.db2.gz MFENZJGAGGVHSR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001398949370 996768318 /nfs/dbraw/zinc/76/83/18/996768318.db2.gz MFENZJGAGGVHSR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCn1cc(Cl)cn1)N(C)C ZINC001398973161 996784230 /nfs/dbraw/zinc/78/42/30/996784230.db2.gz JSXOGUKSNHRXIT-DGCLKSJQSA-N 1 3 315.849 0.971 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001404312303 996960058 /nfs/dbraw/zinc/96/00/58/996960058.db2.gz FXCXOCHYQKEDBD-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCCCC1 ZINC001399104296 996970758 /nfs/dbraw/zinc/97/07/58/996970758.db2.gz HCCKMJIAYXWPOI-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H]1CCN(C)C1=O ZINC001399161659 997040040 /nfs/dbraw/zinc/04/00/40/997040040.db2.gz LJMQROLALNUUKI-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001399427858 997357089 /nfs/dbraw/zinc/35/70/89/997357089.db2.gz CMTUXBUUFSFPNH-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)CCc1cnn(C)c1)[NH+](C)C ZINC001399494739 997440500 /nfs/dbraw/zinc/44/05/00/997440500.db2.gz KRPMSPCCOQNFDG-HNNXBMFYSA-N 1 3 309.458 0.597 20 0 DCADHO CN(C)C1(C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)CCC1 ZINC001404893694 997569638 /nfs/dbraw/zinc/56/96/38/997569638.db2.gz RGNKNIUFKVUHNJ-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001507234535 1016158636 /nfs/dbraw/zinc/15/86/36/1016158636.db2.gz ZOSOJZUDRSMDQY-HOCLYGCPSA-N 1 3 323.481 0.975 20 0 DCADHO C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001511165219 1016196846 /nfs/dbraw/zinc/19/68/46/1016196846.db2.gz BBIKQMMIVBJCEF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCC2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001405581448 998351711 /nfs/dbraw/zinc/35/17/11/998351711.db2.gz PFLCUQIZZDELKZ-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCC2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001405581448 998351721 /nfs/dbraw/zinc/35/17/21/998351721.db2.gz PFLCUQIZZDELKZ-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001405677256 998462734 /nfs/dbraw/zinc/46/27/34/998462734.db2.gz NOLVXWHTOLNTPS-DZGCQCFKSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@@H]1C[C@H](NCc2ccnn2C)CN1C(=O)CCC[NH+](C)C ZINC001507319924 1016250510 /nfs/dbraw/zinc/25/05/10/1016250510.db2.gz LMNZXMLTBUYMAP-KGLIPLIRSA-N 1 3 307.442 0.841 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001507323254 1016253542 /nfs/dbraw/zinc/25/35/42/1016253542.db2.gz WDCKQHVNXPSGJZ-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001401183168 1000253597 /nfs/dbraw/zinc/25/35/97/1000253597.db2.gz VUYCAAXGOCLHJX-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)C1=O ZINC001401222740 1000285498 /nfs/dbraw/zinc/28/54/98/1000285498.db2.gz UPTBZPFDNIVJHO-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001418738192 1000483604 /nfs/dbraw/zinc/48/36/04/1000483604.db2.gz KZEIUZVFHHHAJO-ZDUSSCGKSA-N 1 3 321.425 0.782 20 0 DCADHO CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001418738192 1000483608 /nfs/dbraw/zinc/48/36/08/1000483608.db2.gz KZEIUZVFHHHAJO-ZDUSSCGKSA-N 1 3 321.425 0.782 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C)s1 ZINC001401590205 1000524473 /nfs/dbraw/zinc/52/44/73/1000524473.db2.gz REFKPBMYVQDDRV-GFCCVEGCSA-N 1 3 314.455 0.358 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001401607571 1000543884 /nfs/dbraw/zinc/54/38/84/1000543884.db2.gz JPOVRRTWINEZTP-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(CC)C1=O)C(=O)CN1CCCC1 ZINC001401609857 1000545689 /nfs/dbraw/zinc/54/56/89/1000545689.db2.gz MMFSECHFUIGGFS-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401697565 1000635966 /nfs/dbraw/zinc/63/59/66/1000635966.db2.gz IVSPFBRMBJYZLQ-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401697565 1000635970 /nfs/dbraw/zinc/63/59/70/1000635970.db2.gz IVSPFBRMBJYZLQ-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)C1CC[NH+](C)CC1 ZINC001507502737 1016429608 /nfs/dbraw/zinc/42/96/08/1016429608.db2.gz NOTZDQKLSQNNGX-INIZCTEOSA-N 1 3 320.437 0.332 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001419237262 1000904824 /nfs/dbraw/zinc/90/48/24/1000904824.db2.gz CSLZLIQBHWHCTQ-GOEBONIOSA-N 1 3 321.469 0.789 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402015518 1000947070 /nfs/dbraw/zinc/94/70/70/1000947070.db2.gz RDJBUYVVGVYKLD-RHSMWYFYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402015518 1000947080 /nfs/dbraw/zinc/94/70/80/1000947080.db2.gz RDJBUYVVGVYKLD-RHSMWYFYSA-N 1 3 324.469 0.517 20 0 DCADHO Cn1nccc1CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001419310186 1000966039 /nfs/dbraw/zinc/96/60/39/1000966039.db2.gz LVRUHNRRMPQEIR-OAHLLOKOSA-N 1 3 317.437 0.500 20 0 DCADHO CN(C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCCNC1=O ZINC001419320069 1000973745 /nfs/dbraw/zinc/97/37/45/1000973745.db2.gz PPPDLWHDYIIJFD-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001419415679 1001033500 /nfs/dbraw/zinc/03/35/00/1001033500.db2.gz NPMVPLONRXKRAZ-HDJSIYSDSA-N 1 3 305.426 0.641 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001419490555 1001092487 /nfs/dbraw/zinc/09/24/87/1001092487.db2.gz IWRXHFAJGDYJEC-KFWWJZLASA-N 1 3 324.469 0.337 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001419508291 1001104286 /nfs/dbraw/zinc/10/42/86/1001104286.db2.gz JPFUMGRKJSLFQB-KGLIPLIRSA-N 1 3 321.469 0.912 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001419563392 1001142331 /nfs/dbraw/zinc/14/23/31/1001142331.db2.gz LHUOHRZRTUHPSD-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001419613209 1001172878 /nfs/dbraw/zinc/17/28/78/1001172878.db2.gz KOBADDRTRHHANB-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001419665775 1001208847 /nfs/dbraw/zinc/20/88/47/1001208847.db2.gz JPUUSBXJQKYWGI-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNCc1cnnn1C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001419716262 1001243672 /nfs/dbraw/zinc/24/36/72/1001243672.db2.gz HRHCHZYYAQDWNY-OLZOCXBDSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@@H](CNCc1cnnn1C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001419716262 1001243676 /nfs/dbraw/zinc/24/36/76/1001243676.db2.gz HRHCHZYYAQDWNY-OLZOCXBDSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)N(C)C ZINC001419827669 1001337865 /nfs/dbraw/zinc/33/78/65/1001337865.db2.gz PSLCQMRXWMNTPC-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001419855013 1001359409 /nfs/dbraw/zinc/35/94/09/1001359409.db2.gz UKQYNIBGRNVCMV-STQMWFEESA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001402557688 1001405386 /nfs/dbraw/zinc/40/53/86/1001405386.db2.gz CAOGBZBTGXUCOG-DKUMPPAJSA-N 1 3 322.453 0.328 20 0 DCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001402557688 1001405392 /nfs/dbraw/zinc/40/53/92/1001405392.db2.gz CAOGBZBTGXUCOG-DKUMPPAJSA-N 1 3 322.453 0.328 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001402581302 1001421411 /nfs/dbraw/zinc/42/14/11/1001421411.db2.gz XCGMBQJQFTVFDU-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1ccncc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001402598577 1001431659 /nfs/dbraw/zinc/43/16/59/1001431659.db2.gz JRDOZRITTPMNKN-MRXNPFEDSA-N 1 3 320.437 0.659 20 0 DCADHO Cc1nnc([C@@H](C)NC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001402693501 1001472962 /nfs/dbraw/zinc/47/29/62/1001472962.db2.gz OORMYMNOTRKGGY-OCCSQVGLSA-N 1 3 322.457 0.954 20 0 DCADHO CCCNC(=O)CNC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001402755515 1001490836 /nfs/dbraw/zinc/49/08/36/1001490836.db2.gz LONIPZJDTIVPBH-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001402774487 1001497308 /nfs/dbraw/zinc/49/73/08/1001497308.db2.gz WPCDNHRHKWMIOD-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001402794520 1001504877 /nfs/dbraw/zinc/50/48/77/1001504877.db2.gz QCKFMMNQBOUJPV-KBPBESRZSA-N 1 3 312.458 0.241 20 0 DCADHO CC1CC(C[NH2+]CC2(O)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001402806974 1001511231 /nfs/dbraw/zinc/51/12/31/1001511231.db2.gz VFZABPKCYMCKFE-UHFFFAOYSA-N 1 3 320.437 0.941 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC(C)C ZINC001402891266 1001559511 /nfs/dbraw/zinc/55/95/11/1001559511.db2.gz KEWHKWBDGLILAM-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC(C)C ZINC001402891266 1001559515 /nfs/dbraw/zinc/55/95/15/1001559515.db2.gz KEWHKWBDGLILAM-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001403052195 1001650576 /nfs/dbraw/zinc/65/05/76/1001650576.db2.gz URROMQAEEAMZKL-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001403191417 1001718213 /nfs/dbraw/zinc/71/82/13/1001718213.db2.gz CBHPWQOXYUENFX-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001403191417 1001718216 /nfs/dbraw/zinc/71/82/16/1001718216.db2.gz CBHPWQOXYUENFX-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001403218616 1001740372 /nfs/dbraw/zinc/74/03/72/1001740372.db2.gz MORLFWYEIBUOIR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001419989617 1001746988 /nfs/dbraw/zinc/74/69/88/1001746988.db2.gz IKBMBWGHVUNUSW-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001403228036 1001749286 /nfs/dbraw/zinc/74/92/86/1001749286.db2.gz HOPVJDDCYYNOBY-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO Cc1nc(C)n(CC[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001505759853 1016531176 /nfs/dbraw/zinc/53/11/76/1016531176.db2.gz CCRKNTWYOJJLFD-STQMWFEESA-N 1 3 324.473 0.718 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001424676855 1001906605 /nfs/dbraw/zinc/90/66/05/1001906605.db2.gz VRLQRYKVWHRNAJ-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO Cc1ccc(F)c(CNC[C@@H](O)CNC(=O)CC[NH+](C)C)c1 ZINC001420153265 1001948613 /nfs/dbraw/zinc/94/86/13/1001948613.db2.gz ZUYGZXGFDYQPJG-CQSZACIVSA-N 1 3 311.401 0.653 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)C(N)=O ZINC001403439524 1001965377 /nfs/dbraw/zinc/96/53/77/1001965377.db2.gz LPOZCOQIZRPAPM-JHJVBQTASA-N 1 3 312.458 0.323 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001424742938 1001967922 /nfs/dbraw/zinc/96/79/22/1001967922.db2.gz ROZZIKBGDOFTQD-HDJSIYSDSA-N 1 3 324.469 0.433 20 0 DCADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001403490368 1002023387 /nfs/dbraw/zinc/02/33/87/1002023387.db2.gz RQOWDEQOZGPTPT-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)OCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507729717 1016557496 /nfs/dbraw/zinc/55/74/96/1016557496.db2.gz YMNWOUUJSOMYBG-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO CC(C)OCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507729717 1016557507 /nfs/dbraw/zinc/55/75/07/1016557507.db2.gz YMNWOUUJSOMYBG-LSDHHAIUSA-N 1 3 315.458 0.114 20 0 DCADHO CCN(CCN[C@H](C)C(N)=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001420242204 1002103054 /nfs/dbraw/zinc/10/30/54/1002103054.db2.gz ZCYRGDGVHNLWPU-CYBMUJFWSA-N 1 3 320.437 0.674 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001420312517 1002206949 /nfs/dbraw/zinc/20/69/49/1002206949.db2.gz SYUAKVKNTHHHKV-OUAUKWLOSA-N 1 3 313.364 0.734 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CCCC1 ZINC001420377837 1002310924 /nfs/dbraw/zinc/31/09/24/1002310924.db2.gz RXQUQWIGOSNUBX-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](NC(=O)CN(C)C(C)C)C(C)(C)C ZINC001508035941 1016617963 /nfs/dbraw/zinc/61/79/63/1016617963.db2.gz OFTFNBZLSQESNU-GFCCVEGCSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001420446164 1002430008 /nfs/dbraw/zinc/43/00/08/1002430008.db2.gz HPDMBCQKLUZFFN-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001420446164 1002430017 /nfs/dbraw/zinc/43/00/17/1002430017.db2.gz HPDMBCQKLUZFFN-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001403738960 1002442964 /nfs/dbraw/zinc/44/29/64/1002442964.db2.gz DGVVDTACKLDOQD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC001403762103 1002484777 /nfs/dbraw/zinc/48/47/77/1002484777.db2.gz RCTRYIHDULUSOW-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)CC[NH+](C)C)CCC1 ZINC001505865707 1016632171 /nfs/dbraw/zinc/63/21/71/1016632171.db2.gz YEAMYVIPVMCCAZ-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001420534247 1002570424 /nfs/dbraw/zinc/57/04/24/1002570424.db2.gz GUPVZWVKMIHDRQ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001420578167 1002642990 /nfs/dbraw/zinc/64/29/90/1002642990.db2.gz CESBXYRUNJTGSF-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001420578167 1002642996 /nfs/dbraw/zinc/64/29/96/1002642996.db2.gz CESBXYRUNJTGSF-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001425409561 1002651423 /nfs/dbraw/zinc/65/14/23/1002651423.db2.gz SYPHPNBTDBNCEF-DZKIICNBSA-N 1 3 321.469 0.991 20 0 DCADHO CC[C@H](C(=O)N(C)CCN[C@@H]1CCN(C)C1=O)[NH+](CC)CC ZINC001420722915 1002857108 /nfs/dbraw/zinc/85/71/08/1002857108.db2.gz HCSMXEUYHDZYHW-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)[C@@H](C)NCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001420722816 1002857292 /nfs/dbraw/zinc/85/72/92/1002857292.db2.gz DSXZUWINPRHFHF-CYBMUJFWSA-N 1 3 312.458 0.289 20 0 DCADHO CCN1CC[C@H]([NH2+]CCN(C)C(=O)C2(N(C)C)CCC2)C1=O ZINC001420728672 1002874915 /nfs/dbraw/zinc/87/49/15/1002874915.db2.gz KRYMJHMJOMKFQX-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001420745723 1002909669 /nfs/dbraw/zinc/90/96/69/1002909669.db2.gz OUHHGUPDYCHXLG-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001420745723 1002909678 /nfs/dbraw/zinc/90/96/78/1002909678.db2.gz OUHHGUPDYCHXLG-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCOCCNCc1cccnc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001508187089 1016695691 /nfs/dbraw/zinc/69/56/91/1016695691.db2.gz HUGGECRYPWKYDY-INIZCTEOSA-N 1 3 320.437 0.598 20 0 DCADHO CN(CCOCCNCc1cccnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001508187089 1016695698 /nfs/dbraw/zinc/69/56/98/1016695698.db2.gz HUGGECRYPWKYDY-INIZCTEOSA-N 1 3 320.437 0.598 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(=O)NC1CC1 ZINC001425706664 1002980188 /nfs/dbraw/zinc/98/01/88/1002980188.db2.gz ZEURTRXNBZFWIP-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COCCN1CC[C@H](NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)C1 ZINC001420865572 1003054134 /nfs/dbraw/zinc/05/41/34/1003054134.db2.gz BVJFGAUFJFNDJW-GJZGRUSLSA-N 1 3 318.421 0.745 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001405854765 1003142870 /nfs/dbraw/zinc/14/28/70/1003142870.db2.gz DNJIDTIJPRHJGF-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001405854765 1003142874 /nfs/dbraw/zinc/14/28/74/1003142874.db2.gz DNJIDTIJPRHJGF-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO COC[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001420947534 1003164656 /nfs/dbraw/zinc/16/46/56/1003164656.db2.gz SODXLENXFZHTFT-ZIAGYGMSSA-N 1 3 313.442 0.105 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H]1CCCNC1=O ZINC001405903301 1003185560 /nfs/dbraw/zinc/18/55/60/1003185560.db2.gz RFKFCMLBSPIWBP-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H]1CCCNC1=O ZINC001405903301 1003185565 /nfs/dbraw/zinc/18/55/65/1003185565.db2.gz RFKFCMLBSPIWBP-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)[C@@H](C)C1 ZINC001405973837 1003233118 /nfs/dbraw/zinc/23/31/18/1003233118.db2.gz OOJQZRJFJKXXGR-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001425965894 1003291273 /nfs/dbraw/zinc/29/12/73/1003291273.db2.gz OIZSMFDMRQZHNT-ZDUSSCGKSA-N 1 3 324.469 0.243 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001426033612 1003364826 /nfs/dbraw/zinc/36/48/26/1003364826.db2.gz UCXLFVCRIMFUOL-ZBFHGGJFSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001426033612 1003364830 /nfs/dbraw/zinc/36/48/30/1003364830.db2.gz UCXLFVCRIMFUOL-ZBFHGGJFSA-N 1 3 320.437 0.332 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCc1cccnc1 ZINC001406250974 1003526287 /nfs/dbraw/zinc/52/62/87/1003526287.db2.gz UYNSNEMMKQVPGY-HZPDHXFCSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)CNCc1cccnc1 ZINC001406250974 1003526294 /nfs/dbraw/zinc/52/62/94/1003526294.db2.gz UYNSNEMMKQVPGY-HZPDHXFCSA-N 1 3 320.437 0.523 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCN(C(C)C)C1=O ZINC001406418386 1003700931 /nfs/dbraw/zinc/70/09/31/1003700931.db2.gz BWYDJBZLWQICNS-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H]1CCN(C(C)C)C1=O ZINC001406418386 1003700939 /nfs/dbraw/zinc/70/09/39/1003700939.db2.gz BWYDJBZLWQICNS-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1)[NH+](C)C ZINC001406481698 1003753183 /nfs/dbraw/zinc/75/31/83/1003753183.db2.gz OCNCKZSNJAFNHU-WFASDCNBSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001406506551 1003772074 /nfs/dbraw/zinc/77/20/74/1003772074.db2.gz ZJFVPJYNMBAWER-BFHYXJOUSA-N 1 3 314.474 0.676 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001406535907 1003797549 /nfs/dbraw/zinc/79/75/49/1003797549.db2.gz YDQHCOUTKPYYTI-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001406535907 1003797560 /nfs/dbraw/zinc/79/75/60/1003797560.db2.gz YDQHCOUTKPYYTI-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@@H]21 ZINC001428329385 1003868657 /nfs/dbraw/zinc/86/86/57/1003868657.db2.gz KCTXUONPMNKJNR-BMFZPTHFSA-N 1 3 322.453 0.585 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C[C@@H]21 ZINC001428329385 1003868666 /nfs/dbraw/zinc/86/86/66/1003868666.db2.gz KCTXUONPMNKJNR-BMFZPTHFSA-N 1 3 322.453 0.585 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001406761321 1004068324 /nfs/dbraw/zinc/06/83/24/1004068324.db2.gz ZPMPKJKULYRINA-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001406761321 1004068331 /nfs/dbraw/zinc/06/83/31/1004068331.db2.gz ZPMPKJKULYRINA-ILXRZTDVSA-N 1 3 324.469 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC)C1 ZINC001407108655 1004389001 /nfs/dbraw/zinc/38/90/01/1004389001.db2.gz HILHVAKVORKVMN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC)C1 ZINC001407108655 1004389013 /nfs/dbraw/zinc/38/90/13/1004389013.db2.gz HILHVAKVORKVMN-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001407107618 1004389986 /nfs/dbraw/zinc/38/99/86/1004389986.db2.gz OZJLRDZCYNXNTF-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001407110290 1004392228 /nfs/dbraw/zinc/39/22/28/1004392228.db2.gz ZCQRBUASSQFMDX-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001407111923 1004393684 /nfs/dbraw/zinc/39/36/84/1004393684.db2.gz BUEJPFMLBKMBAE-AWEZNQCLSA-N 1 3 322.457 0.639 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001427465862 1004404405 /nfs/dbraw/zinc/40/44/05/1004404405.db2.gz SGCDQBCHJWKKDJ-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001427465862 1004404410 /nfs/dbraw/zinc/40/44/10/1004404410.db2.gz SGCDQBCHJWKKDJ-LSDHHAIUSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@H](F)CC[N@@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001407356716 1004583518 /nfs/dbraw/zinc/58/35/18/1004583518.db2.gz ZSSUSQQOVUYNNX-DZGCQCFKSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001407356716 1004583525 /nfs/dbraw/zinc/58/35/25/1004583525.db2.gz ZSSUSQQOVUYNNX-DZGCQCFKSA-N 1 3 315.433 0.772 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001407493327 1004688053 /nfs/dbraw/zinc/68/80/53/1004688053.db2.gz CUWLZMXMFCGPDH-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001407775352 1004853143 /nfs/dbraw/zinc/85/31/43/1004853143.db2.gz ZGRRNDVSCWCEIQ-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001407787938 1004863584 /nfs/dbraw/zinc/86/35/84/1004863584.db2.gz WUXGJDOSZBNBLE-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC001407787938 1004863585 /nfs/dbraw/zinc/86/35/85/1004863585.db2.gz WUXGJDOSZBNBLE-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+](C)CCCC(=O)NCC1(NCC(=O)N2CCCC2)CCC1 ZINC001407798356 1004868561 /nfs/dbraw/zinc/86/85/61/1004868561.db2.gz LYGHDHFZRCPHMI-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCN2C)nn1 ZINC001408176425 1005092825 /nfs/dbraw/zinc/09/28/25/1005092825.db2.gz RTXUUWOMDJNORH-GXTWGEPZSA-N 1 3 321.425 0.564 20 0 DCADHO CC[N@@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001408289756 1005143552 /nfs/dbraw/zinc/14/35/52/1005143552.db2.gz BZFNIOACUBOTKS-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO CC[N@H+](CC(N)=O)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001408289756 1005143555 /nfs/dbraw/zinc/14/35/55/1005143555.db2.gz BZFNIOACUBOTKS-AWEZNQCLSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001414666191 1005380266 /nfs/dbraw/zinc/38/02/66/1005380266.db2.gz KOCLJQIFNVNNHF-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001414666191 1005380268 /nfs/dbraw/zinc/38/02/68/1005380268.db2.gz KOCLJQIFNVNNHF-AWEZNQCLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CC[NH+](C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001417628972 1005855044 /nfs/dbraw/zinc/85/50/44/1005855044.db2.gz NAMVLDDNIMWONB-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001417778554 1005889024 /nfs/dbraw/zinc/88/90/24/1005889024.db2.gz SJWOXHDDXGBLNO-GUTXKFCHSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001418041685 1005970336 /nfs/dbraw/zinc/97/03/36/1005970336.db2.gz YNVQETVZLBFYDV-HZSPNIEDSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001418045440 1005975177 /nfs/dbraw/zinc/97/51/77/1005975177.db2.gz HSQLSFFSNWWZNA-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001418064841 1005997515 /nfs/dbraw/zinc/99/75/15/1005997515.db2.gz RMOSYBORAULENK-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO CCN1CCC([N@@H+]2CCCN(C(=O)Cc3cc[nH]n3)CC2)CC1 ZINC001418069965 1006000244 /nfs/dbraw/zinc/00/02/44/1006000244.db2.gz IYDFFYUJMUJIGB-UHFFFAOYSA-N 1 3 319.453 0.971 20 0 DCADHO CCN1CCC([N@H+]2CCCN(C(=O)Cc3cc[nH]n3)CC2)CC1 ZINC001418069965 1006000253 /nfs/dbraw/zinc/00/02/53/1006000253.db2.gz IYDFFYUJMUJIGB-UHFFFAOYSA-N 1 3 319.453 0.971 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001418072230 1006003994 /nfs/dbraw/zinc/00/39/94/1006003994.db2.gz WCIZBZAMLURNIS-XUXIUFHCSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438673021 1006012825 /nfs/dbraw/zinc/01/28/25/1006012825.db2.gz GEMXRPDQBLXPDW-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001418118172 1006066106 /nfs/dbraw/zinc/06/61/06/1006066106.db2.gz DUOZYWMSXMNOIP-KGLIPLIRSA-N 1 3 303.422 0.487 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001418118172 1006066117 /nfs/dbraw/zinc/06/61/17/1006066117.db2.gz DUOZYWMSXMNOIP-KGLIPLIRSA-N 1 3 303.422 0.487 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H]1CCCN(CCn2cncn2)C1 ZINC001418124569 1006076697 /nfs/dbraw/zinc/07/66/97/1006076697.db2.gz QTFXZYFGHJNFKA-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COC)C1)N(C)C ZINC001418127650 1006080823 /nfs/dbraw/zinc/08/08/23/1006080823.db2.gz RAXOMBUZBDCOPL-RBSFLKMASA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1)N(C)C ZINC001418127650 1006080835 /nfs/dbraw/zinc/08/08/35/1006080835.db2.gz RAXOMBUZBDCOPL-RBSFLKMASA-N 1 3 315.458 0.162 20 0 DCADHO CC(C)C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001438732306 1006081658 /nfs/dbraw/zinc/08/16/58/1006081658.db2.gz GBXOHPCETSAZSJ-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)C1 ZINC001514722262 1017021093 /nfs/dbraw/zinc/02/10/93/1017021093.db2.gz PVSYTLWIKBSLBP-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCCC2)C1 ZINC001438748569 1006095513 /nfs/dbraw/zinc/09/55/13/1006095513.db2.gz QCRQQQHUMGZOPD-DZGCQCFKSA-N 1 3 324.469 0.468 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001418147254 1006105485 /nfs/dbraw/zinc/10/54/85/1006105485.db2.gz PVHZYBYJMMTSSL-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CCc2cnn(C)c2)CCC1 ZINC001438880960 1006189891 /nfs/dbraw/zinc/18/98/91/1006189891.db2.gz DOEGFDHTCPEVQA-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CCc2cnn(C)c2)CCC1 ZINC001438880960 1006189899 /nfs/dbraw/zinc/18/98/99/1006189899.db2.gz DOEGFDHTCPEVQA-UHFFFAOYSA-N 1 3 321.469 0.837 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001436662412 1006243158 /nfs/dbraw/zinc/24/31/58/1006243158.db2.gz CXKBRFSYRFHFMX-KGLIPLIRSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001438950061 1006258298 /nfs/dbraw/zinc/25/82/98/1006258298.db2.gz LWPNXHXYQXHUGW-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)N(C)C)C1 ZINC001438950061 1006258307 /nfs/dbraw/zinc/25/83/07/1006258307.db2.gz LWPNXHXYQXHUGW-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001438991772 1006330805 /nfs/dbraw/zinc/33/08/05/1006330805.db2.gz LKGPCMMMLHGURT-HOTGVXAUSA-N 1 3 320.437 0.523 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001438991772 1006330815 /nfs/dbraw/zinc/33/08/15/1006330815.db2.gz LKGPCMMMLHGURT-HOTGVXAUSA-N 1 3 320.437 0.523 20 0 DCADHO CC[C@@H](F)CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001439005557 1006345935 /nfs/dbraw/zinc/34/59/35/1006345935.db2.gz XVLAFHGJEZGWNJ-CHWSQXEVSA-N 1 3 301.406 0.430 20 0 DCADHO NC(=O)CN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001436797332 1006372172 /nfs/dbraw/zinc/37/21/72/1006372172.db2.gz VDZONAMWPKMEQQ-LSDHHAIUSA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001436797332 1006372182 /nfs/dbraw/zinc/37/21/82/1006372182.db2.gz VDZONAMWPKMEQQ-LSDHHAIUSA-N 1 3 322.453 0.363 20 0 DCADHO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001436965033 1006487857 /nfs/dbraw/zinc/48/78/57/1006487857.db2.gz HXXXHOXCTZXEMC-XDQVBPFNSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccnn2C)C1)N(C)C ZINC001436964510 1006488696 /nfs/dbraw/zinc/48/86/96/1006488696.db2.gz KYNFJANMSFFLNY-GUTXKFCHSA-N 1 3 307.442 0.540 20 0 DCADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001439182668 1006551639 /nfs/dbraw/zinc/55/16/39/1006551639.db2.gz SJCXIVYOQPVCGB-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO Cn1ccnc1CNC1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001437093030 1006578321 /nfs/dbraw/zinc/57/83/21/1006578321.db2.gz ZUSVJMPKPIXYPN-UHFFFAOYSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001437094163 1006578778 /nfs/dbraw/zinc/57/87/78/1006578778.db2.gz VZOUXXSNKLQSPU-HSBZDZAISA-N 1 3 324.469 0.622 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439225502 1006598085 /nfs/dbraw/zinc/59/80/85/1006598085.db2.gz WIRZIISGEPXUGG-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001439225502 1006598100 /nfs/dbraw/zinc/59/81/00/1006598100.db2.gz WIRZIISGEPXUGG-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001439269653 1006643208 /nfs/dbraw/zinc/64/32/08/1006643208.db2.gz MDEVDHABSPBDMW-WFASDCNBSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N[C@H]1CCN(C(C)(C)C)C1=O ZINC001437204167 1006701839 /nfs/dbraw/zinc/70/18/39/1006701839.db2.gz SQYNPTZKGDTYSJ-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)N1CCCC1)C1CC1)N(C)C ZINC001439479184 1006908443 /nfs/dbraw/zinc/90/84/43/1006908443.db2.gz KSVMDHQGAFMSRZ-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cnn(C)c1 ZINC001437386262 1006910894 /nfs/dbraw/zinc/91/08/94/1006910894.db2.gz YNFWLSUTXJURDS-CQSZACIVSA-N 1 3 321.469 0.931 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001439485560 1006915573 /nfs/dbraw/zinc/91/55/73/1006915573.db2.gz SHZLXTNDWJYBKG-UONOGXRCSA-N 1 3 310.442 0.219 20 0 DCADHO CN(C[C@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)CC[NH+](C)C ZINC001452884046 1007131608 /nfs/dbraw/zinc/13/16/08/1007131608.db2.gz DXWUIBRRFADOPL-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC([C@H]2CCN(CC(N)=O)C2)CC1 ZINC001439685999 1007134089 /nfs/dbraw/zinc/13/40/89/1007134089.db2.gz OICQMZCWSBVDLG-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCN(CC(N)=O)C2)CC1 ZINC001439685999 1007134094 /nfs/dbraw/zinc/13/40/94/1007134094.db2.gz OICQMZCWSBVDLG-HNNXBMFYSA-N 1 3 324.469 0.374 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001439780112 1007190886 /nfs/dbraw/zinc/19/08/86/1007190886.db2.gz ZELCTUFUTCQLDV-STQMWFEESA-N 1 3 321.425 0.448 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C)C1CCC1 ZINC001453177255 1007291508 /nfs/dbraw/zinc/29/15/08/1007291508.db2.gz LCYQVJFTYCBKCL-AWEZNQCLSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437853360 1007467380 /nfs/dbraw/zinc/46/73/80/1007467380.db2.gz YVAMMXTUTSNTNS-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001437853360 1007467385 /nfs/dbraw/zinc/46/73/85/1007467385.db2.gz YVAMMXTUTSNTNS-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](NCCO)c2ccccc2)C1 ZINC001437869508 1007474077 /nfs/dbraw/zinc/47/40/77/1007474077.db2.gz HLVRYGOCELUJHU-ZBFHGGJFSA-N 1 3 305.422 0.768 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](NCCO)c2ccccc2)C1 ZINC001437869508 1007474084 /nfs/dbraw/zinc/47/40/84/1007474084.db2.gz HLVRYGOCELUJHU-ZBFHGGJFSA-N 1 3 305.422 0.768 20 0 DCADHO CN(CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001440128913 1007509146 /nfs/dbraw/zinc/50/91/46/1007509146.db2.gz MRAQDRCRYBGAIR-HDJSIYSDSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)C1 ZINC001440353242 1007689042 /nfs/dbraw/zinc/68/90/42/1007689042.db2.gz FOAMQIHOXRLSQI-QKPAOTATSA-N 1 3 309.454 0.849 20 0 DCADHO CC[C@@H](F)CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001440367024 1007700795 /nfs/dbraw/zinc/70/07/95/1007700795.db2.gz BWRFEKQCEYQYSV-HUUCEWRRSA-N 1 3 315.433 0.893 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CCN1CCn1cncn1 ZINC001440446583 1007776821 /nfs/dbraw/zinc/77/68/21/1007776821.db2.gz BXMXYVAUOIHKCB-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CCN1CCn1cncn1 ZINC001440446583 1007776836 /nfs/dbraw/zinc/77/68/36/1007776836.db2.gz BXMXYVAUOIHKCB-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H]1CCN(CC)C1=O ZINC001438340711 1007842478 /nfs/dbraw/zinc/84/24/78/1007842478.db2.gz FRFQFSRDTJSWJP-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1CCC(C)([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001440605036 1007915603 /nfs/dbraw/zinc/91/56/03/1007915603.db2.gz RRJJHPWWXLBMFF-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C)([NH2+]CC(=O)NC2CC2)CC1 ZINC001440614186 1007922150 /nfs/dbraw/zinc/92/21/50/1007922150.db2.gz XGDVXGWRVHKWCU-UHFFFAOYSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001438498197 1007951968 /nfs/dbraw/zinc/95/19/68/1007951968.db2.gz MDAXIAGUUNDYQM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001440717132 1007968305 /nfs/dbraw/zinc/96/83/05/1007968305.db2.gz ICVLPOHJAGDSRF-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001440717132 1007968308 /nfs/dbraw/zinc/96/83/08/1007968308.db2.gz ICVLPOHJAGDSRF-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO CNC(=O)CN1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001440751423 1007998202 /nfs/dbraw/zinc/99/82/02/1007998202.db2.gz VXYDAGAMNRRTNJ-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001440801811 1008035406 /nfs/dbraw/zinc/03/54/06/1008035406.db2.gz PBURBKYHQOJTTD-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001440879124 1008083769 /nfs/dbraw/zinc/08/37/69/1008083769.db2.gz ANQXEHBFMYVLPM-OLZOCXBDSA-N 1 3 314.474 0.535 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001440999010 1008167571 /nfs/dbraw/zinc/16/75/71/1008167571.db2.gz UOJJOWTUCSBFLZ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001441366775 1008333728 /nfs/dbraw/zinc/33/37/28/1008333728.db2.gz SEMRVQYLNRGEFJ-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)C(=O)NC1CC1 ZINC001441387369 1008341840 /nfs/dbraw/zinc/34/18/40/1008341840.db2.gz XBNPDUAQPARMLY-MRVWCRGKSA-N 1 3 322.453 0.375 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](CO)NCc1ccccc1)[NH+](C)C ZINC001441759152 1008491294 /nfs/dbraw/zinc/49/12/94/1008491294.db2.gz KJOLFKWMSRKXCL-HZPDHXFCSA-N 1 3 307.438 0.840 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCn1cccn1 ZINC001441866140 1008593980 /nfs/dbraw/zinc/59/39/80/1008593980.db2.gz NYRIPKPOJXCSNC-LSDHHAIUSA-N 1 3 307.442 0.852 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001421454784 1008611908 /nfs/dbraw/zinc/61/19/08/1008611908.db2.gz OUBBGUCLOGSHBE-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N(C)C ZINC001421454784 1008611912 /nfs/dbraw/zinc/61/19/12/1008611912.db2.gz OUBBGUCLOGSHBE-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001441875925 1008613823 /nfs/dbraw/zinc/61/38/23/1008613823.db2.gz QELWDQGCUVHVHD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001441875925 1008613826 /nfs/dbraw/zinc/61/38/26/1008613826.db2.gz QELWDQGCUVHVHD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(=O)N(C)C ZINC001441941690 1008682533 /nfs/dbraw/zinc/68/25/33/1008682533.db2.gz BVLXVKDKDMNNAA-CHWSQXEVSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)N1CCCC1 ZINC001441951806 1008698839 /nfs/dbraw/zinc/69/88/39/1008698839.db2.gz UYHMXHNMFFMZPT-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)N1CCCC1 ZINC001441951806 1008698849 /nfs/dbraw/zinc/69/88/49/1008698849.db2.gz UYHMXHNMFFMZPT-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001421538927 1008703517 /nfs/dbraw/zinc/70/35/17/1008703517.db2.gz DCGUTRNMFTUWEX-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H](C)CNC(=O)CN2CC[C@H](C)C2)n1 ZINC001441955573 1008704430 /nfs/dbraw/zinc/70/44/30/1008704430.db2.gz VCCGZTPLASXPAE-ZFWWWQNUSA-N 1 3 321.469 0.936 20 0 DCADHO CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001421544058 1008708592 /nfs/dbraw/zinc/70/85/92/1008708592.db2.gz RFPDQUUUMUOSSB-OLZOCXBDSA-N 1 3 321.425 0.115 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(CC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001421582540 1008755845 /nfs/dbraw/zinc/75/58/45/1008755845.db2.gz UMKLBJARXHRJTI-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001454017129 1008857018 /nfs/dbraw/zinc/85/70/18/1008857018.db2.gz XHVLNZOBUIHISG-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001442062012 1008914012 /nfs/dbraw/zinc/91/40/12/1008914012.db2.gz IYEYRQKFAAJEKF-GOEBONIOSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1nccn1C ZINC001421720644 1008983551 /nfs/dbraw/zinc/98/35/51/1008983551.db2.gz BFGBSTYOBGDEIX-KBPBESRZSA-N 1 3 307.442 0.604 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H](C)C(=O)NC)C(C)(C)C ZINC001442175248 1009051039 /nfs/dbraw/zinc/05/10/39/1009051039.db2.gz ZFTIMCSKLPHCLO-STQMWFEESA-N 1 3 314.474 0.583 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001442258289 1009140465 /nfs/dbraw/zinc/14/04/65/1009140465.db2.gz QCRGFQRHUGHIGF-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001421870885 1009188933 /nfs/dbraw/zinc/18/89/33/1009188933.db2.gz KCRSJNWVRWPEME-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001454622845 1009231735 /nfs/dbraw/zinc/23/17/35/1009231735.db2.gz LFMPGLRMDWJGIE-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001454622845 1009231747 /nfs/dbraw/zinc/23/17/47/1009231747.db2.gz LFMPGLRMDWJGIE-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001421909579 1009250746 /nfs/dbraw/zinc/25/07/46/1009250746.db2.gz XAHLTXXZVZJDMT-SWLSCSKDSA-N 1 3 322.453 0.043 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001421937782 1009286394 /nfs/dbraw/zinc/28/63/94/1009286394.db2.gz HBHALOCQQUXMQE-CYBMUJFWSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001421940401 1009289643 /nfs/dbraw/zinc/28/96/43/1009289643.db2.gz UBAHQJSPJVMPSK-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001454860919 1009368711 /nfs/dbraw/zinc/36/87/11/1009368711.db2.gz ICHLMCHUAPHTBT-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421996975 1009386048 /nfs/dbraw/zinc/38/60/48/1009386048.db2.gz XUTDCXPLKFWPJP-TZMCWYRMSA-N 1 3 322.457 0.495 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421996975 1009386066 /nfs/dbraw/zinc/38/60/66/1009386066.db2.gz XUTDCXPLKFWPJP-TZMCWYRMSA-N 1 3 322.457 0.495 20 0 DCADHO CC(C)[C@@H](C(=O)NCC1(NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001433953244 1009392601 /nfs/dbraw/zinc/39/26/01/1009392601.db2.gz LRZNYQVCTKHPLM-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CCCCC1)C(N)=O ZINC001422025837 1009411826 /nfs/dbraw/zinc/41/18/26/1009411826.db2.gz GXJCXIQJVNSQSB-JSGCOSHPSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001442521434 1009439467 /nfs/dbraw/zinc/43/94/67/1009439467.db2.gz QFHCLXNOYLUMLS-AWEZNQCLSA-N 1 3 320.437 0.275 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)Cc2ccn(C)c(=O)c2)C1 ZINC001442521434 1009439478 /nfs/dbraw/zinc/43/94/78/1009439478.db2.gz QFHCLXNOYLUMLS-AWEZNQCLSA-N 1 3 320.437 0.275 20 0 DCADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001422068029 1009453302 /nfs/dbraw/zinc/45/33/02/1009453302.db2.gz UESLGTDQXQRXJE-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO Cc1ncc(CN[C@H](CNC(=O)CC[NH+](C)C)C(C)C)cn1 ZINC001422113979 1009505094 /nfs/dbraw/zinc/50/50/94/1009505094.db2.gz CQCYAZYNMOYJCM-OAHLLOKOSA-N 1 3 307.442 0.967 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)CN(C)C(C)C)[NH+](C)C ZINC001455384894 1009699482 /nfs/dbraw/zinc/69/94/82/1009699482.db2.gz LDIBWTJAESSNOS-HNNXBMFYSA-N 1 3 314.474 0.487 20 0 DCADHO C[C@H](NCc1cnnn1C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001422324499 1009877317 /nfs/dbraw/zinc/87/73/17/1009877317.db2.gz AZCOTCGPRQNCJO-STQMWFEESA-N 1 3 320.441 0.426 20 0 DCADHO CCn1nc(C)c(CN[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC001434506341 1010047144 /nfs/dbraw/zinc/04/71/44/1010047144.db2.gz VABOAACSPVFRGW-AWEZNQCLSA-N 1 3 306.458 0.865 20 0 DCADHO CCn1nc(C)c(CN[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC001434506341 1010047161 /nfs/dbraw/zinc/04/71/61/1010047161.db2.gz VABOAACSPVFRGW-AWEZNQCLSA-N 1 3 306.458 0.865 20 0 DCADHO CN(CC(C)(C)C[NH2+][C@H]1CCNC1=O)C(=O)CN(C)C1CCC1 ZINC001422439708 1010089781 /nfs/dbraw/zinc/08/97/81/1010089781.db2.gz KQELBYUVDUVZNI-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)(O)[C@@H](O)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001422443018 1010092433 /nfs/dbraw/zinc/09/24/33/1010092433.db2.gz SBUYUSZWSGZPHF-AWEZNQCLSA-N 1 3 300.443 0.431 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)CC2CC[NH+](C)CC2)C1=O ZINC001443075018 1010112370 /nfs/dbraw/zinc/11/23/70/1010112370.db2.gz CDEOFQQCHHPAIC-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(CC(=O)NC)C1 ZINC001443241191 1010257140 /nfs/dbraw/zinc/25/71/40/1010257140.db2.gz BUOJXQVNCFUDOE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CCN(CC(=O)NC)C1 ZINC001443241191 1010257146 /nfs/dbraw/zinc/25/71/46/1010257146.db2.gz BUOJXQVNCFUDOE-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)N1CCC1)[NH+]1CCCC1 ZINC001422614938 1010405738 /nfs/dbraw/zinc/40/57/38/1010405738.db2.gz ABAIHCLBKCKEND-ZBFHGGJFSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001422884172 1010700491 /nfs/dbraw/zinc/70/04/91/1010700491.db2.gz VNUHAYOHRADKCE-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001422884172 1010700501 /nfs/dbraw/zinc/70/05/01/1010700501.db2.gz VNUHAYOHRADKCE-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H]1CCN(C(C)C)C1=O ZINC001443987821 1010791271 /nfs/dbraw/zinc/79/12/71/1010791271.db2.gz TWFQZGSVSSWUND-ZIAGYGMSSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001444001266 1010797231 /nfs/dbraw/zinc/79/72/31/1010797231.db2.gz IHPHPOUGTBBBSM-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001444028113 1010810408 /nfs/dbraw/zinc/81/04/08/1010810408.db2.gz FYQHJOQLURQCOF-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001444028113 1010810412 /nfs/dbraw/zinc/81/04/12/1010810412.db2.gz FYQHJOQLURQCOF-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1cncn1C ZINC001423110308 1010896129 /nfs/dbraw/zinc/89/61/29/1010896129.db2.gz YKSZRQAMKFLZCU-CYBMUJFWSA-N 1 3 307.442 0.698 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC001423145813 1010923933 /nfs/dbraw/zinc/92/39/33/1010923933.db2.gz JMRBXDMHDAMSMR-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC001423145813 1010923934 /nfs/dbraw/zinc/92/39/34/1010923934.db2.gz JMRBXDMHDAMSMR-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001423294667 1011054394 /nfs/dbraw/zinc/05/43/94/1011054394.db2.gz RJWXSKPWLQQDHN-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001423294667 1011054400 /nfs/dbraw/zinc/05/44/00/1011054400.db2.gz RJWXSKPWLQQDHN-ZDUSSCGKSA-N 1 3 310.442 0.235 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001423421186 1011138000 /nfs/dbraw/zinc/13/80/00/1011138000.db2.gz WEWWSHQXABHZOM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001444724343 1011147669 /nfs/dbraw/zinc/14/76/69/1011147669.db2.gz SBNFLGYTZVHLRD-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(CCCN2CCCC2=O)C1 ZINC001423585672 1011315197 /nfs/dbraw/zinc/31/51/97/1011315197.db2.gz MZZINLWSLQIEAR-QGZVFWFLSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001533549247 1011443784 /nfs/dbraw/zinc/44/37/84/1011443784.db2.gz JKHAIMKVUWZCRZ-GEXIGZQTSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)NC(=O)CN(C)C1CCC1 ZINC001445319767 1011652821 /nfs/dbraw/zinc/65/28/21/1011652821.db2.gz RPUXKKCZIKPPDM-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445366579 1011702767 /nfs/dbraw/zinc/70/27/67/1011702767.db2.gz MXYMVAZBTXDMEY-IUODEOHRSA-N 1 3 305.426 0.356 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001534947741 1011738696 /nfs/dbraw/zinc/73/86/96/1011738696.db2.gz XHMDBXFZSGBBDD-DZGCQCFKSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001423959780 1011778594 /nfs/dbraw/zinc/77/85/94/1011778594.db2.gz FGBLHHCSZKFPHT-APIJFGDWSA-N 1 3 324.469 0.560 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001423959780 1011778600 /nfs/dbraw/zinc/77/86/00/1011778600.db2.gz FGBLHHCSZKFPHT-APIJFGDWSA-N 1 3 324.469 0.560 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445504811 1011847496 /nfs/dbraw/zinc/84/74/96/1011847496.db2.gz SVAURNVZRIQUNO-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNCC(=O)NC1CCCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445504811 1011847514 /nfs/dbraw/zinc/84/75/14/1011847514.db2.gz SVAURNVZRIQUNO-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)c1ccccc1 ZINC001553403943 1011940121 /nfs/dbraw/zinc/94/01/21/1011940121.db2.gz BMUAZRPSEHAZHY-JONQDZQNSA-N 1 3 303.406 0.925 20 0 DCADHO [NH3+]CC1([C@@H]2CCCCN2C(=O)NC[C@@H]2CNCCO2)CCC1 ZINC001553502535 1012040036 /nfs/dbraw/zinc/04/00/36/1012040036.db2.gz KUBIWQMHXLCXMB-KBPBESRZSA-N 1 3 310.442 0.668 20 0 DCADHO O=C(NC[C@H]1CNCCO1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001553504506 1012044000 /nfs/dbraw/zinc/04/40/00/1012044000.db2.gz PZTZLCWXXNCYQG-GOEBONIOSA-N 1 3 324.469 0.786 20 0 DCADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553507904 1012049741 /nfs/dbraw/zinc/04/97/41/1012049741.db2.gz PWBCOSLSUNJLHS-RBSFLKMASA-N 1 3 310.442 0.369 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553508960 1012052802 /nfs/dbraw/zinc/05/28/02/1012052802.db2.gz VXGUCDFTZORDPJ-BARDWOONSA-N 1 3 310.442 0.225 20 0 DCADHO [NH3+][C@]12CC[C@H]1CN(C(=O)NC1CCN([C@@H]3CCOC3)CC1)C2 ZINC001553508749 1012053349 /nfs/dbraw/zinc/05/33/49/1012053349.db2.gz NBTJYYKBQSRPHV-BJJXKVORSA-N 1 3 308.426 0.372 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553523059 1012072200 /nfs/dbraw/zinc/07/22/00/1012072200.db2.gz ZWDSJZOTZZVLKK-KRIMKBQASA-N 1 3 322.453 0.593 20 0 DCADHO Cc1ncc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)cn1 ZINC001424232371 1012203361 /nfs/dbraw/zinc/20/33/61/1012203361.db2.gz VALVOJCSCRBWJW-HNNXBMFYSA-N 1 3 321.425 0.054 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN(CC)CC)C2)CC[N@@H+]1C ZINC001432253659 1012206495 /nfs/dbraw/zinc/20/64/95/1012206495.db2.gz LJPZMMYQXUHWGH-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)CN(CC)CC)C2)CC[N@H+]1C ZINC001432253659 1012206511 /nfs/dbraw/zinc/20/65/11/1012206511.db2.gz LJPZMMYQXUHWGH-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445762500 1012224258 /nfs/dbraw/zinc/22/42/58/1012224258.db2.gz ZBVVTVLMMOADBF-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](CN(C)CCn1cncn1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445762500 1012224267 /nfs/dbraw/zinc/22/42/67/1012224267.db2.gz ZBVVTVLMMOADBF-HUUCEWRRSA-N 1 3 322.457 0.589 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001432267512 1012230025 /nfs/dbraw/zinc/23/00/25/1012230025.db2.gz LTXIXAXCAQGIOZ-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001445983402 1012481520 /nfs/dbraw/zinc/48/15/20/1012481520.db2.gz CYDUDNLBXVJXRY-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)N2CCCC2)C2CC2)C1 ZINC001445983402 1012481524 /nfs/dbraw/zinc/48/15/24/1012481524.db2.gz CYDUDNLBXVJXRY-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CC1(C)CN(C(=O)c2cccc3c2CNC3)CC2(C[NH2+]C2)O1 ZINC001548575333 1012749274 /nfs/dbraw/zinc/74/92/74/1012749274.db2.gz CCBNHVFEMBZWER-UHFFFAOYSA-N 1 3 301.390 0.883 20 0 DCADHO CN(C)c1ncc(CNCCN2CCC([NH+](C)C)CC2)cn1 ZINC001461264653 1013013750 /nfs/dbraw/zinc/01/37/50/1013013750.db2.gz BXGJMZFNNUHXNX-UHFFFAOYSA-N 1 3 306.458 0.658 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](CC)C(N)=O)CC1 ZINC001499243373 1017774400 /nfs/dbraw/zinc/77/44/00/1017774400.db2.gz FMRWOOLQVQVEKH-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H](CC)C(N)=O)CC1 ZINC001499243373 1017774416 /nfs/dbraw/zinc/77/44/16/1017774416.db2.gz FMRWOOLQVQVEKH-CHWSQXEVSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479832880 1017842571 /nfs/dbraw/zinc/84/25/71/1017842571.db2.gz JMMBHDYKEZLTCX-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001497485653 1018164954 /nfs/dbraw/zinc/16/49/54/1018164954.db2.gz FGLHAIHGUKKXFV-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001497485573 1018165021 /nfs/dbraw/zinc/16/50/21/1018165021.db2.gz DTFPONNGAZVIRG-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC(C)NC(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480060409 1018171352 /nfs/dbraw/zinc/17/13/52/1018171352.db2.gz PFMQPVZSPMMCSP-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)NC(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001480060409 1018171360 /nfs/dbraw/zinc/17/13/60/1018171360.db2.gz PFMQPVZSPMMCSP-ZFWWWQNUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cncn1C ZINC001495057014 1018275127 /nfs/dbraw/zinc/27/51/27/1018275127.db2.gz CEBZUBPIDHARAW-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(CCn3cncn3)C2)C1 ZINC001500279069 1018374774 /nfs/dbraw/zinc/37/47/74/1018374774.db2.gz AZBGEZADKCDVCM-HOCLYGCPSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(CCn3cncn3)C2)C1 ZINC001500279069 1018374782 /nfs/dbraw/zinc/37/47/82/1018374782.db2.gz AZBGEZADKCDVCM-HOCLYGCPSA-N 1 3 320.441 0.201 20 0 DCADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001497751140 1018386472 /nfs/dbraw/zinc/38/64/72/1018386472.db2.gz YARNBZSVJRTSBN-DJYNDVHFSA-N 1 3 322.453 0.261 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001480307875 1018414381 /nfs/dbraw/zinc/41/43/81/1018414381.db2.gz WUEPEJZUQRSLOR-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001500382295 1018432292 /nfs/dbraw/zinc/43/22/92/1018432292.db2.gz OSIYRTHPHAGKOD-CZUORRHYSA-N 1 3 308.426 0.941 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCCC1=O ZINC001497993957 1018568962 /nfs/dbraw/zinc/56/89/62/1018568962.db2.gz VCBBRFYVMSEMBO-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498099650 1018652228 /nfs/dbraw/zinc/65/22/28/1018652228.db2.gz PMFPOFPPOPQBMA-IHRRRGAJSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498099650 1018652233 /nfs/dbraw/zinc/65/22/33/1018652233.db2.gz PMFPOFPPOPQBMA-IHRRRGAJSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H](CNCC(=O)NC1CCCCC1)NC(=O)CC[NH+](C)C ZINC001498104922 1018654508 /nfs/dbraw/zinc/65/45/08/1018654508.db2.gz IWJDDRLPIMVSBE-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC(=O)N(C)C ZINC001495744926 1018679026 /nfs/dbraw/zinc/67/90/26/1018679026.db2.gz ZPNHJWPTMCGACC-ZDUSSCGKSA-N 1 3 314.474 0.394 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC1CC1 ZINC001498197309 1018745383 /nfs/dbraw/zinc/74/53/83/1018745383.db2.gz JOZFRXNRVHGYHB-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CCn1cc(CN[C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001501071291 1018862614 /nfs/dbraw/zinc/86/26/14/1018862614.db2.gz LYZYWPMRBHHSFI-ZIAGYGMSSA-N 1 3 322.457 0.576 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCN(C)C1=O ZINC001480770224 1018887882 /nfs/dbraw/zinc/88/78/82/1018887882.db2.gz PTRXAAHJLBTHDF-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001480814484 1018937849 /nfs/dbraw/zinc/93/78/49/1018937849.db2.gz YLVYWZQLQDQDKS-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496096021 1019058793 /nfs/dbraw/zinc/05/87/93/1019058793.db2.gz IEDPGLFWJXGOKG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO COc1cc(CNC[C@H](C)N(C)C(=O)CC[NH+](C)C)ccn1 ZINC001496148014 1019113002 /nfs/dbraw/zinc/11/30/02/1019113002.db2.gz AFQLVBKLWCRQLB-ZDUSSCGKSA-N 1 3 308.426 0.978 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001498487693 1019163274 /nfs/dbraw/zinc/16/32/74/1019163274.db2.gz SBAKRTZFPXTLOA-ZFWWWQNUSA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001496229957 1019179696 /nfs/dbraw/zinc/17/96/96/1019179696.db2.gz NYTGSSIBUHTMMX-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001496305864 1019231479 /nfs/dbraw/zinc/23/14/79/1019231479.db2.gz APXVCBXPLWOVRR-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001496305864 1019231488 /nfs/dbraw/zinc/23/14/88/1019231488.db2.gz APXVCBXPLWOVRR-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)CCCNCc1ccon1 ZINC001498652675 1019301138 /nfs/dbraw/zinc/30/11/38/1019301138.db2.gz FBPAJEQZUZWQIY-AWEZNQCLSA-N 1 3 324.425 0.581 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)N(C)CCC[NH2+]Cc1ccon1 ZINC001498652675 1019301150 /nfs/dbraw/zinc/30/11/50/1019301150.db2.gz FBPAJEQZUZWQIY-AWEZNQCLSA-N 1 3 324.425 0.581 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001501640431 1019346180 /nfs/dbraw/zinc/34/61/80/1019346180.db2.gz BRZNBLOEOLTFKS-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501864749 1019529836 /nfs/dbraw/zinc/52/98/36/1019529836.db2.gz LMZHPDLEDYWJOM-OVNWPICBSA-N 1 3 322.453 0.069 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501864749 1019529865 /nfs/dbraw/zinc/52/98/65/1019529865.db2.gz LMZHPDLEDYWJOM-OVNWPICBSA-N 1 3 322.453 0.069 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NC(C)(C)C)CCC2)C1 ZINC001502025789 1019635087 /nfs/dbraw/zinc/63/50/87/1019635087.db2.gz DUIXXHAHLXBLHV-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NC(C)(C)C)CCC2)C1 ZINC001502025789 1019635090 /nfs/dbraw/zinc/63/50/90/1019635090.db2.gz DUIXXHAHLXBLHV-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO CCn1cc(CC[NH2+]CCN(C)C(=O)CN2CC[C@H](C)C2)cn1 ZINC001493694814 1019637801 /nfs/dbraw/zinc/63/78/01/1019637801.db2.gz JJFIUPXGKVLJNZ-HNNXBMFYSA-N 1 3 321.469 0.835 20 0 DCADHO C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001502077262 1019690527 /nfs/dbraw/zinc/69/05/27/1019690527.db2.gz SATMRUWTXXXVTF-KBPBESRZSA-N 1 3 315.458 0.162 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCO[C@H](CNCCF)C2)CC1 ZINC001502081220 1019692601 /nfs/dbraw/zinc/69/26/01/1019692601.db2.gz MMQUIGPIIFJIJV-CQSZACIVSA-N 1 3 301.406 0.505 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cccnc1)C1CCC1 ZINC001496994098 1019894192 /nfs/dbraw/zinc/89/41/92/1019894192.db2.gz FFAPXGITEUIBIA-OAHLLOKOSA-N 1 3 306.410 0.133 20 0 DCADHO C[NH+]1CCC(C(=O)NCC[C@H]2CCN([C@@H]3CCNC3=O)C2)CC1 ZINC001494046499 1019947261 /nfs/dbraw/zinc/94/72/61/1019947261.db2.gz CNPDJKPAUFUAQF-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494056475 1019951748 /nfs/dbraw/zinc/95/17/48/1019951748.db2.gz WVSVUZUOXUFPQY-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CN1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494056475 1019951753 /nfs/dbraw/zinc/95/17/53/1019951753.db2.gz WVSVUZUOXUFPQY-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO CC1CCN(CC(=O)N2CCC(C[N@H+](C)CCO)CC2)CC1 ZINC001494210834 1020078209 /nfs/dbraw/zinc/07/82/09/1020078209.db2.gz XAOXUMLEEAAJHS-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO CC1CCN(CC(=O)N2CCC(C[N@@H+](C)CCO)CC2)CC1 ZINC001494210834 1020078219 /nfs/dbraw/zinc/07/82/19/1020078219.db2.gz XAOXUMLEEAAJHS-UHFFFAOYSA-N 1 3 311.470 0.881 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001494235020 1020092875 /nfs/dbraw/zinc/09/28/75/1020092875.db2.gz MAIYNVAQALCKKG-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000286538890 219043606 /nfs/dbraw/zinc/04/36/06/219043606.db2.gz QNLZVFDENJMZED-CHWSQXEVSA-N 1 3 310.442 0.209 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000331511706 282365112 /nfs/dbraw/zinc/36/51/12/282365112.db2.gz BWCBKFGAJVCJNT-QGZVFWFLSA-N 1 3 324.469 0.374 20 0 DCADHO CN(C)Cc1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000286860049 219198823 /nfs/dbraw/zinc/19/88/23/219198823.db2.gz XXUNQGFIECIPET-KRWDZBQOSA-N 1 3 316.449 0.868 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000342708615 291049041 /nfs/dbraw/zinc/04/90/41/291049041.db2.gz NMDAMJBXXXITFO-KBPBESRZSA-N 1 3 311.426 0.601 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236834136 202030880 /nfs/dbraw/zinc/03/08/80/202030880.db2.gz DCUOJTGZWWCCNH-CYBMUJFWSA-N 1 3 306.414 0.417 20 0 DCADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410898123 283217422 /nfs/dbraw/zinc/21/74/22/283217422.db2.gz GNEJZOSHYMCGMO-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000333534889 291189072 /nfs/dbraw/zinc/18/90/72/291189072.db2.gz ILGPEUUFOGDRDO-OCCSQVGLSA-N 1 3 303.410 0.818 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC[NH2+]C1CC1 ZINC000566468832 291305691 /nfs/dbraw/zinc/30/56/91/291305691.db2.gz APJOLNYTZCXDHC-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419736735 239940672 /nfs/dbraw/zinc/94/06/72/239940672.db2.gz RXVKENNWJWHPGA-MELADBBJSA-N 1 3 310.442 0.030 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@@](C)(F)C2)CC1 ZINC000420329288 240020893 /nfs/dbraw/zinc/02/08/93/240020893.db2.gz JCOYKRGUKXJTPO-OAHLLOKOSA-N 1 3 300.422 0.220 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567407836 291354151 /nfs/dbraw/zinc/35/41/51/291354151.db2.gz LJQDPSFXDWLDNF-ZFWWWQNUSA-N 1 3 316.405 0.132 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC[NH2+]1 ZINC000478967200 241072158 /nfs/dbraw/zinc/07/21/58/241072158.db2.gz URHRUZWHJZFZRG-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000567867380 291386013 /nfs/dbraw/zinc/38/60/13/291386013.db2.gz NVZHQHZODZGDFF-NEPJUHHUSA-N 1 3 306.410 0.929 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410474803 284340915 /nfs/dbraw/zinc/34/09/15/284340915.db2.gz YGDGUXIPPACMJX-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000410474803 284340921 /nfs/dbraw/zinc/34/09/21/284340921.db2.gz YGDGUXIPPACMJX-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCCC1 ZINC000388829785 335025563 /nfs/dbraw/zinc/02/55/63/335025563.db2.gz MGEWMWQOHKVPRV-GFCCVEGCSA-N 1 3 306.414 0.417 20 0 DCADHO C[C@@H]1CCCN(C(=O)C2CCN(CCN3CC[NH2+]CC3)CC2)C1 ZINC000573325170 291625118 /nfs/dbraw/zinc/62/51/18/291625118.db2.gz WMZROHQRQADWQZ-MRXNPFEDSA-N 1 3 322.497 0.862 20 0 DCADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H]3OCCN[C@H]3C2)cc1 ZINC000574332105 291688576 /nfs/dbraw/zinc/68/85/76/291688576.db2.gz ORWCYFYCCAIXSK-PVAVHDDUSA-N 1 3 305.422 0.800 20 0 DCADHO COCCN1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000105193142 194084360 /nfs/dbraw/zinc/08/43/60/194084360.db2.gz PGDXBRZRZVFARC-HNNXBMFYSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000339634146 253118885 /nfs/dbraw/zinc/11/88/85/253118885.db2.gz MMBHJIUAPIPQCE-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000339667817 253123464 /nfs/dbraw/zinc/12/34/64/253123464.db2.gz IRFQYGGLKVTNTA-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000340123213 253204505 /nfs/dbraw/zinc/20/45/05/253204505.db2.gz OGTXMPDFTDNALK-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C[NH+]1CCCC1 ZINC000340767063 253300881 /nfs/dbraw/zinc/30/08/81/253300881.db2.gz JASFTKZIERTWHK-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000347974887 254207382 /nfs/dbraw/zinc/20/73/82/254207382.db2.gz WCFBFXYBQIPHKN-HIFRSBDPSA-N 1 3 324.469 0.574 20 0 DCADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000347944027 254203893 /nfs/dbraw/zinc/20/38/93/254203893.db2.gz PIWVLYPYKQVKIZ-CQSZACIVSA-N 1 3 322.453 0.927 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[N@@H+]1C ZINC000347961563 254205766 /nfs/dbraw/zinc/20/57/66/254205766.db2.gz IHWYDDXNKLGHGS-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC[N@H+]1C ZINC000347961563 254205767 /nfs/dbraw/zinc/20/57/67/254205767.db2.gz IHWYDDXNKLGHGS-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000348768201 254253668 /nfs/dbraw/zinc/25/36/68/254253668.db2.gz ZACFMPNORRFFJO-UKRRQHHQSA-N 1 3 322.453 0.354 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000348768201 254253670 /nfs/dbraw/zinc/25/36/70/254253670.db2.gz ZACFMPNORRFFJO-UKRRQHHQSA-N 1 3 322.453 0.354 20 0 DCADHO CN(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351535744 254344082 /nfs/dbraw/zinc/34/40/82/254344082.db2.gz MEGWHSJVUUFXJV-LSDHHAIUSA-N 1 3 318.421 0.274 20 0 DCADHO CCN1CCN(CCC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000351570455 254347752 /nfs/dbraw/zinc/34/77/52/254347752.db2.gz VXBUYLBGNPBCCI-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO CCC[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)CCN1CCOC ZINC000351719764 254362307 /nfs/dbraw/zinc/36/23/07/254362307.db2.gz SPNIKDMXWNXZPJ-SJORKVTESA-N 1 3 313.486 0.874 20 0 DCADHO CCC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCN1CCOC ZINC000351719764 254362308 /nfs/dbraw/zinc/36/23/08/254362308.db2.gz SPNIKDMXWNXZPJ-SJORKVTESA-N 1 3 313.486 0.874 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(C)=O ZINC000101518574 285246022 /nfs/dbraw/zinc/24/60/22/285246022.db2.gz YOCATZJJZBMTKK-UKRRQHHQSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(C)=O ZINC000101518574 285246023 /nfs/dbraw/zinc/24/60/23/285246023.db2.gz YOCATZJJZBMTKK-UKRRQHHQSA-N 1 3 312.458 0.386 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000417094458 262245371 /nfs/dbraw/zinc/24/53/71/262245371.db2.gz QOGPYONRCAOBDA-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2CNCCO2)([NH+](C)C)C1 ZINC000333811736 296454900 /nfs/dbraw/zinc/45/49/00/296454900.db2.gz PRGYUFFCPBBKAT-IIAWOOMASA-N 1 3 312.458 0.785 20 0 DCADHO CCN1CCN(CCNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194603249 395800600 /nfs/dbraw/zinc/80/06/00/395800600.db2.gz DVNVFKVVWYCHOS-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)COC3CCOCC3)CC[C@H]21 ZINC000248033557 395981730 /nfs/dbraw/zinc/98/17/30/395981730.db2.gz QZKSRBUPDOPCLZ-BFYDXBDKSA-N 1 3 312.454 0.959 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)COC3CCOCC3)CC[C@H]21 ZINC000248033557 395981731 /nfs/dbraw/zinc/98/17/31/395981731.db2.gz QZKSRBUPDOPCLZ-BFYDXBDKSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)COC3CCOCC3)CC[C@H]21 ZINC000248033557 395981732 /nfs/dbraw/zinc/98/17/32/395981732.db2.gz QZKSRBUPDOPCLZ-BFYDXBDKSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)COC3CCOCC3)CC[C@H]21 ZINC000248033557 395981733 /nfs/dbraw/zinc/98/17/33/395981733.db2.gz QZKSRBUPDOPCLZ-BFYDXBDKSA-N 1 3 312.454 0.959 20 0 DCADHO COC(=O)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261840096 396071079 /nfs/dbraw/zinc/07/10/79/396071079.db2.gz YONDKNSPENAIIW-OAHLLOKOSA-N 1 3 319.405 0.760 20 0 DCADHO C[C@@H](C(=O)NCCCN1CCN(c2ccncc2)CC1)[C@H](C)[NH3+] ZINC000277113711 396050373 /nfs/dbraw/zinc/05/03/73/396050373.db2.gz VZTCSYHSUHKTOQ-CABCVRRESA-N 1 3 319.453 0.693 20 0 DCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155692799 396056325 /nfs/dbraw/zinc/05/63/25/396056325.db2.gz ZYTHOVMMTCJEGJ-MJBXVCDLSA-N 1 3 312.458 0.419 20 0 DCADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277380665 396064924 /nfs/dbraw/zinc/06/49/24/396064924.db2.gz CSDKQZHQHQEMMS-VNHYZAJKSA-N 1 3 323.462 0.799 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000276639534 396017181 /nfs/dbraw/zinc/01/71/81/396017181.db2.gz LZQQZMVVGQUNKD-XLNGHYISSA-N 1 3 317.433 0.879 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262014166 396089919 /nfs/dbraw/zinc/08/99/19/396089919.db2.gz HWFSNLJCWHPPOL-KRWDZBQOSA-N 1 3 316.449 0.868 20 0 DCADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCCCN1 ZINC000262084425 396097050 /nfs/dbraw/zinc/09/70/50/396097050.db2.gz TZMRQBIFZPKRCJ-QWRGUYRKSA-N 1 3 308.348 0.081 20 0 DCADHO COCCN(C)CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000171190583 396109809 /nfs/dbraw/zinc/10/98/09/396109809.db2.gz IITUDZGIUBFLSJ-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)[C@@]1(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCSC1 ZINC000278943804 396142523 /nfs/dbraw/zinc/14/25/23/396142523.db2.gz GIUPGSXFSLKEGJ-XHDPSFHLSA-N 1 3 323.466 0.654 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1C ZINC000262252082 396114962 /nfs/dbraw/zinc/11/49/62/396114962.db2.gz LQDSPFYRHMMFEK-KGLIPLIRSA-N 1 3 305.426 0.561 20 0 DCADHO O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(N2CCNCC2)cn1 ZINC000261879209 396074991 /nfs/dbraw/zinc/07/49/91/396074991.db2.gz SWVNHYXHOAXWNG-ZDUSSCGKSA-N 1 3 303.410 0.819 20 0 DCADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COC3CCOCC3)CC[C@@H]21 ZINC000162805761 396083697 /nfs/dbraw/zinc/08/36/97/396083697.db2.gz QZKSRBUPDOPCLZ-VYDXJSESSA-N 1 3 312.454 0.959 20 0 DCADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COC3CCOCC3)CC[C@@H]21 ZINC000162805761 396083701 /nfs/dbraw/zinc/08/37/01/396083701.db2.gz QZKSRBUPDOPCLZ-VYDXJSESSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)COC3CCOCC3)CC[C@@H]21 ZINC000162805761 396083704 /nfs/dbraw/zinc/08/37/04/396083704.db2.gz QZKSRBUPDOPCLZ-VYDXJSESSA-N 1 3 312.454 0.959 20 0 DCADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)COC3CCOCC3)CC[C@@H]21 ZINC000162805761 396083707 /nfs/dbraw/zinc/08/37/07/396083707.db2.gz QZKSRBUPDOPCLZ-VYDXJSESSA-N 1 3 312.454 0.959 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000178886156 396212928 /nfs/dbraw/zinc/21/29/28/396212928.db2.gz HULSZGHEENQWDJ-AWEZNQCLSA-N 1 3 307.442 0.661 20 0 DCADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000074267261 396162409 /nfs/dbraw/zinc/16/24/09/396162409.db2.gz UILKYFLPGSYPHJ-ZBFHGGJFSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)N(C)C ZINC000263940411 396244977 /nfs/dbraw/zinc/24/49/77/396244977.db2.gz AYKKYECOFCFGKQ-ZDUSSCGKSA-N 1 3 320.437 0.796 20 0 DCADHO CN(C)CCOc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000183118584 396262469 /nfs/dbraw/zinc/26/24/69/396262469.db2.gz RNWHUZCVJZSPOJ-ZDUSSCGKSA-N 1 3 306.410 0.704 20 0 DCADHO CN(C)CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC000183118584 396262474 /nfs/dbraw/zinc/26/24/74/396262474.db2.gz RNWHUZCVJZSPOJ-ZDUSSCGKSA-N 1 3 306.410 0.704 20 0 DCADHO CCN(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000183915963 396277071 /nfs/dbraw/zinc/27/70/71/396277071.db2.gz QVVCUWXXJFNZGM-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000183915963 396277075 /nfs/dbraw/zinc/27/70/75/396277075.db2.gz QVVCUWXXJFNZGM-HNNXBMFYSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN(C)CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000263712631 396225659 /nfs/dbraw/zinc/22/56/59/396225659.db2.gz DOIHQHCEAPOGGV-UHFFFAOYSA-N 1 3 323.437 0.935 20 0 DCADHO Cc1noc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000077806658 396233775 /nfs/dbraw/zinc/23/37/75/396233775.db2.gz GSHVVQSMYGDOLV-LLVKDONJSA-N 1 3 312.418 0.574 20 0 DCADHO COC(=O)CCN1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)C1=O ZINC000594731097 396502585 /nfs/dbraw/zinc/50/25/85/396502585.db2.gz QAVBXURJKLZZFV-AWEZNQCLSA-N 1 3 311.426 0.613 20 0 DCADHO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc2cncn2c1 ZINC000290753643 396471605 /nfs/dbraw/zinc/47/16/05/396471605.db2.gz YXUWYEXJSPNWNF-UHFFFAOYSA-N 1 3 303.410 0.948 20 0 DCADHO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc2cncn2c1 ZINC000290753643 396471607 /nfs/dbraw/zinc/47/16/07/396471607.db2.gz YXUWYEXJSPNWNF-UHFFFAOYSA-N 1 3 303.410 0.948 20 0 DCADHO CN(CCCNC(=O)c1ccc2cncn2c1)CC[NH+](C)C ZINC000290753643 396471608 /nfs/dbraw/zinc/47/16/08/396471608.db2.gz YXUWYEXJSPNWNF-UHFFFAOYSA-N 1 3 303.410 0.948 20 0 DCADHO COC(=O)c1cc(C[NH2+]CC2(O)CCN(C)CC2)n(C)c1C ZINC000291161587 396480350 /nfs/dbraw/zinc/48/03/50/396480350.db2.gz IOEPKYTYTWJGNS-UHFFFAOYSA-N 1 3 309.410 0.666 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000372099921 396488312 /nfs/dbraw/zinc/48/83/12/396488312.db2.gz ZTIJCUZCOCUJRK-XHSDSOJGSA-N 1 3 308.470 0.742 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000372439095 396518075 /nfs/dbraw/zinc/51/80/75/396518075.db2.gz JTVMPLWKQWPZPA-VYDXJSESSA-N 1 3 308.470 0.376 20 0 DCADHO N[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccccc1 ZINC000581012011 396519614 /nfs/dbraw/zinc/51/96/14/396519614.db2.gz OICYGUQDJAUDGE-OAHLLOKOSA-N 1 3 313.405 0.778 20 0 DCADHO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)N1CC(C)C1 ZINC000581262715 396539721 /nfs/dbraw/zinc/53/97/21/396539721.db2.gz QYNSURFCIWTLIS-HNNXBMFYSA-N 1 3 310.486 0.811 20 0 DCADHO C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)N1CC(C)C1 ZINC000581262715 396539725 /nfs/dbraw/zinc/53/97/25/396539725.db2.gz QYNSURFCIWTLIS-HNNXBMFYSA-N 1 3 310.486 0.811 20 0 DCADHO C[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)N1CC(C)C1 ZINC000581262715 396539728 /nfs/dbraw/zinc/53/97/28/396539728.db2.gz QYNSURFCIWTLIS-HNNXBMFYSA-N 1 3 310.486 0.811 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC000581262484 396539831 /nfs/dbraw/zinc/53/98/31/396539831.db2.gz OZMWOGRKSJENNP-HIFRSBDPSA-N 1 3 305.426 0.611 20 0 DCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000581313668 396544916 /nfs/dbraw/zinc/54/49/16/396544916.db2.gz OFGSYNSXARPFOP-CHWSQXEVSA-N 1 3 303.410 0.770 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000581479083 396557629 /nfs/dbraw/zinc/55/76/29/396557629.db2.gz YYGNEKFVVKEGGI-UHFFFAOYSA-N 1 3 322.453 0.355 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000561771907 396646895 /nfs/dbraw/zinc/64/68/95/396646895.db2.gz YYNNSCMJFNRXBI-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000561771907 396646898 /nfs/dbraw/zinc/64/68/98/396646898.db2.gz YYNNSCMJFNRXBI-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1Cc2ccccc2O1 ZINC000531119340 396589515 /nfs/dbraw/zinc/58/95/15/396589515.db2.gz DASAIFPWDSNYRY-MRXNPFEDSA-N 1 3 305.422 0.942 20 0 DCADHO Cc1cn2ccnc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2n1 ZINC000562299788 396656373 /nfs/dbraw/zinc/65/63/73/396656373.db2.gz QJPJANHMLGHVGH-UHFFFAOYSA-N 1 3 318.425 0.603 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000584839018 396628207 /nfs/dbraw/zinc/62/82/07/396628207.db2.gz CLWKREISYCWADY-MELADBBJSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000584850415 396630646 /nfs/dbraw/zinc/63/06/46/396630646.db2.gz PETWVOYLJAAKCZ-UHFFFAOYSA-N 1 3 322.409 0.373 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C1 ZINC000561218625 396634413 /nfs/dbraw/zinc/63/44/13/396634413.db2.gz HVLNOXXSQDARRJ-KBXIAJHMSA-N 1 3 312.458 0.864 20 0 DCADHO CO[C@H](CN)C(=O)N(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000563110264 396704370 /nfs/dbraw/zinc/70/43/70/396704370.db2.gz OFOHQEGYAWYMMV-VXGBXAGGSA-N 1 3 312.439 0.363 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563116414 396705183 /nfs/dbraw/zinc/70/51/83/396705183.db2.gz HONAIFJEOVZLNY-CABCVRRESA-N 1 3 320.441 0.775 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000563116414 396705186 /nfs/dbraw/zinc/70/51/86/396705186.db2.gz HONAIFJEOVZLNY-CABCVRRESA-N 1 3 320.441 0.775 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000563116414 396705188 /nfs/dbraw/zinc/70/51/88/396705188.db2.gz HONAIFJEOVZLNY-CABCVRRESA-N 1 3 320.441 0.775 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000563350510 396722436 /nfs/dbraw/zinc/72/24/36/396722436.db2.gz OVXMJDYXLPWESD-IAGOWNOFSA-N 1 3 313.486 0.876 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000316940232 396799251 /nfs/dbraw/zinc/79/92/51/396799251.db2.gz GCWALYQFLKIOON-GUTXKFCHSA-N 1 3 310.442 0.029 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000316940232 396799256 /nfs/dbraw/zinc/79/92/56/396799256.db2.gz GCWALYQFLKIOON-GUTXKFCHSA-N 1 3 310.442 0.029 20 0 DCADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000563423704 396731518 /nfs/dbraw/zinc/73/15/18/396731518.db2.gz ICNOZJVRXBPIAI-RWMBFGLXSA-N 1 3 301.456 0.803 20 0 DCADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000563626577 396762998 /nfs/dbraw/zinc/76/29/98/396762998.db2.gz RMFXUMWUQNQWSR-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000563627671 396763129 /nfs/dbraw/zinc/76/31/29/396763129.db2.gz GCGWVGCXEKKYDP-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+]CCCn1cc(C(=O)N2CCCN(C3CCCC3)CC2)nn1 ZINC000563955205 396799843 /nfs/dbraw/zinc/79/98/43/396799843.db2.gz BELJBIYUXBPELL-UHFFFAOYSA-N 1 3 320.441 0.717 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)C2 ZINC000629595986 396802322 /nfs/dbraw/zinc/80/23/22/396802322.db2.gz OULQKCLQPCGMCH-GJZGRUSLSA-N 1 3 322.453 0.087 20 0 DCADHO Cc1nc2c(n1CCO)CC[C@H](NC[C@H](O)C[NH+]1CCCC1)C2 ZINC000629595986 396802328 /nfs/dbraw/zinc/80/23/28/396802328.db2.gz OULQKCLQPCGMCH-GJZGRUSLSA-N 1 3 322.453 0.087 20 0 DCADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000564844265 396879406 /nfs/dbraw/zinc/87/94/06/396879406.db2.gz GWGFPOVQJTUPPD-DOTOQJQBSA-N 1 3 310.486 0.201 20 0 DCADHO CN1CCN(C[C@H](O)CN[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000564844265 396879413 /nfs/dbraw/zinc/87/94/13/396879413.db2.gz GWGFPOVQJTUPPD-DOTOQJQBSA-N 1 3 310.486 0.201 20 0 DCADHO CN1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C3CCCC3)C2)CC1 ZINC000564844265 396879422 /nfs/dbraw/zinc/87/94/22/396879422.db2.gz GWGFPOVQJTUPPD-DOTOQJQBSA-N 1 3 310.486 0.201 20 0 DCADHO CCCC[N@H+](C)CCNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000564854166 396882500 /nfs/dbraw/zinc/88/25/00/396882500.db2.gz JVWZJDWFJJSGNS-JYJNAYRXSA-N 1 3 301.475 0.778 20 0 DCADHO CCCC[N@@H+](C)CCNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000564854166 396882503 /nfs/dbraw/zinc/88/25/03/396882503.db2.gz JVWZJDWFJJSGNS-JYJNAYRXSA-N 1 3 301.475 0.778 20 0 DCADHO CN(CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCC1 ZINC000629958668 396896123 /nfs/dbraw/zinc/89/61/23/396896123.db2.gz UXDYMBPTRISTME-UHFFFAOYSA-N 1 3 322.453 0.237 20 0 DCADHO C[N@H+](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCC1 ZINC000629958668 396896131 /nfs/dbraw/zinc/89/61/31/396896131.db2.gz UXDYMBPTRISTME-UHFFFAOYSA-N 1 3 322.453 0.237 20 0 DCADHO C[N@@H+](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCC1 ZINC000629958668 396896138 /nfs/dbraw/zinc/89/61/38/396896138.db2.gz UXDYMBPTRISTME-UHFFFAOYSA-N 1 3 322.453 0.237 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCC1 ZINC000629960612 396896761 /nfs/dbraw/zinc/89/67/61/396896761.db2.gz QCTISRDOUYLPPA-AWEZNQCLSA-N 1 3 308.470 0.755 20 0 DCADHO CN(CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCC1 ZINC000629960612 396896768 /nfs/dbraw/zinc/89/67/68/396896768.db2.gz QCTISRDOUYLPPA-AWEZNQCLSA-N 1 3 308.470 0.755 20 0 DCADHO CN(CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000629960612 396896776 /nfs/dbraw/zinc/89/67/76/396896776.db2.gz QCTISRDOUYLPPA-AWEZNQCLSA-N 1 3 308.470 0.755 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC000629982892 396904352 /nfs/dbraw/zinc/90/43/52/396904352.db2.gz KYCRXZVGPCLNGZ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629982892 396904356 /nfs/dbraw/zinc/90/43/56/396904356.db2.gz KYCRXZVGPCLNGZ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)C[N@H+](C)C1CCC1)C(=O)CN(C)C1CCC1 ZINC000629982892 396904359 /nfs/dbraw/zinc/90/43/59/396904359.db2.gz KYCRXZVGPCLNGZ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)CN(C)C1CCC1 ZINC000629982892 396904362 /nfs/dbraw/zinc/90/43/62/396904362.db2.gz KYCRXZVGPCLNGZ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000572749619 397090439 /nfs/dbraw/zinc/09/04/39/397090439.db2.gz ZFYVWYWYHJIROX-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000612547821 397092389 /nfs/dbraw/zinc/09/23/89/397092389.db2.gz HGIIONXPJBPEIQ-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000592139015 397103624 /nfs/dbraw/zinc/10/36/24/397103624.db2.gz XOIACPDOCXSRJJ-ZDUSSCGKSA-N 1 3 311.426 0.376 20 0 DCADHO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000592219345 397135114 /nfs/dbraw/zinc/13/51/14/397135114.db2.gz KZESRMSGDVSNAG-CVEARBPZSA-N 1 3 310.486 0.987 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ncc2ccccn21 ZINC000630931117 397138552 /nfs/dbraw/zinc/13/85/52/397138552.db2.gz NELHEZDFMSBFFV-UHFFFAOYSA-N 1 3 303.410 0.900 20 0 DCADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000573466235 397171683 /nfs/dbraw/zinc/17/16/83/397171683.db2.gz MDDDKWPTYAPDGF-DOMZBBRYSA-N 1 3 310.442 0.618 20 0 DCADHO C[C@H]1CC2(CN1CC(=O)N(C)Cc1cnn(C)c1)CC[NH2+]CC2 ZINC000573806580 397208048 /nfs/dbraw/zinc/20/80/48/397208048.db2.gz KYZUSUWODAMTAH-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378304003 397225319 /nfs/dbraw/zinc/22/53/19/397225319.db2.gz IGXSNNUYNAWYRN-CVEARBPZSA-N 1 3 310.486 0.811 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000574691883 397290760 /nfs/dbraw/zinc/29/07/60/397290760.db2.gz WGWGJZAURLSLOX-AVGNSLFASA-N 1 3 312.458 0.465 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389962391 397298306 /nfs/dbraw/zinc/29/83/06/397298306.db2.gz WHPXCTXMHKBMSA-CWRNSKLLSA-N 1 3 305.422 0.987 20 0 DCADHO COCCN(C)CCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958043 397303638 /nfs/dbraw/zinc/30/36/38/397303638.db2.gz UNESGVIGKUOEKO-ZDUSSCGKSA-N 1 3 323.441 0.417 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592964261 397306326 /nfs/dbraw/zinc/30/63/26/397306326.db2.gz ISBSSDHPGGGSBX-CHWSQXEVSA-N 1 3 305.426 0.791 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419034915 397378548 /nfs/dbraw/zinc/37/85/48/397378548.db2.gz GMDMQRQYVYVKTM-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419785500 397383049 /nfs/dbraw/zinc/38/30/49/397383049.db2.gz ZDCQXKXHXBLQSK-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419775890 397383695 /nfs/dbraw/zinc/38/36/95/397383695.db2.gz LKVLWMQQJQQDKP-QWHCGFSZSA-N 1 3 310.442 0.077 20 0 DCADHO CO[C@@H]1CCN(CCCN2CCN(C(C)C)CC2)[C@H](C[NH3+])C1 ZINC000578323981 397420690 /nfs/dbraw/zinc/42/06/90/397420690.db2.gz ASMXGZPVRBRRRS-DLBZAZTESA-N 1 3 312.502 0.841 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000457545596 397427289 /nfs/dbraw/zinc/42/72/89/397427289.db2.gz WLVTXBKNTJARBK-OAHLLOKOSA-N 1 3 312.458 0.618 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471636358 397448715 /nfs/dbraw/zinc/44/87/15/397448715.db2.gz REVXKJOUJMKDRM-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000471647115 397450492 /nfs/dbraw/zinc/45/04/92/397450492.db2.gz OUDVVJAAZYRUEJ-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000471647115 397450496 /nfs/dbraw/zinc/45/04/96/397450496.db2.gz OUDVVJAAZYRUEJ-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000420605163 397387126 /nfs/dbraw/zinc/38/71/26/397387126.db2.gz UGRDHZCXCMOLNY-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000420605163 397387133 /nfs/dbraw/zinc/38/71/33/397387133.db2.gz UGRDHZCXCMOLNY-AWEZNQCLSA-N 1 3 312.458 0.293 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C[C@@H]1[NH3+] ZINC000578738311 397475259 /nfs/dbraw/zinc/47/52/59/397475259.db2.gz GIOFKVGOMIPQMV-ZFWWWQNUSA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000578994746 397511966 /nfs/dbraw/zinc/51/19/66/397511966.db2.gz NZJIRUNTSPFGRU-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000579497096 397576427 /nfs/dbraw/zinc/57/64/27/397576427.db2.gz BVSJVFSSJWCZOJ-UHFFFAOYSA-N 1 3 306.410 0.172 20 0 DCADHO CN1CCC(O)(C[NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000607167739 397698034 /nfs/dbraw/zinc/69/80/34/397698034.db2.gz JDDUABINUSUHIT-UHFFFAOYSA-N 1 3 301.394 0.814 20 0 DCADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCNC2)[C@@H](C)C1 ZINC000371273870 286062109 /nfs/dbraw/zinc/06/21/09/286062109.db2.gz SMWAWGRETAATFB-DZKIICNBSA-N 1 3 315.433 0.941 20 0 DCADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCNC2)[C@@H](C)C1 ZINC000371273870 286062111 /nfs/dbraw/zinc/06/21/11/286062111.db2.gz SMWAWGRETAATFB-DZKIICNBSA-N 1 3 315.433 0.941 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000167403391 158368292 /nfs/dbraw/zinc/36/82/92/158368292.db2.gz OQLKVTWRVXTUJM-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO COCCN(C)CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000315468413 159001196 /nfs/dbraw/zinc/00/11/96/159001196.db2.gz YEXSIPSVLVOJMI-UHFFFAOYSA-N 1 3 308.426 0.721 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000316702257 159002997 /nfs/dbraw/zinc/00/29/97/159002997.db2.gz IWNCTTMCIUZULK-OAGGEKHMSA-N 1 3 303.406 0.536 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000316702257 159002998 /nfs/dbraw/zinc/00/29/98/159002998.db2.gz IWNCTTMCIUZULK-OAGGEKHMSA-N 1 3 303.406 0.536 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000367044347 159307275 /nfs/dbraw/zinc/30/72/75/159307275.db2.gz FNEARTFDMKUAAF-MRXNPFEDSA-N 1 3 306.454 0.367 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000367167669 159318277 /nfs/dbraw/zinc/31/82/77/159318277.db2.gz HNFUWTRTEBKJFH-KRWDZBQOSA-N 1 3 316.449 0.754 20 0 DCADHO CCCN(CC[NH+]1CCCC1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000367718592 159351846 /nfs/dbraw/zinc/35/18/46/159351846.db2.gz YSDFWOFBZXANHM-MRXNPFEDSA-N 1 3 308.470 0.711 20 0 DCADHO CSCC[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000368008218 159370287 /nfs/dbraw/zinc/37/02/87/159370287.db2.gz IQXMXDMXXKRQKX-JGVFFNPUSA-N 1 3 300.453 0.978 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000187123232 287058410 /nfs/dbraw/zinc/05/84/10/287058410.db2.gz CLAIWTNJFQKISN-LSDHHAIUSA-N 1 3 314.474 0.720 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000187123232 287058412 /nfs/dbraw/zinc/05/84/12/287058412.db2.gz CLAIWTNJFQKISN-LSDHHAIUSA-N 1 3 314.474 0.720 20 0 DCADHO C[C@@H]1CN(CCN(C)CC[N@H+](C)C2CCN(C)CC2)CCO1 ZINC000192780009 287059918 /nfs/dbraw/zinc/05/99/18/287059918.db2.gz MGBNAOAZYYKONJ-MRXNPFEDSA-N 1 3 312.502 0.665 20 0 DCADHO C[C@@H]1CN(CCN(C)CC[N@@H+](C)C2CCN(C)CC2)CCO1 ZINC000192780009 287059921 /nfs/dbraw/zinc/05/99/21/287059921.db2.gz MGBNAOAZYYKONJ-MRXNPFEDSA-N 1 3 312.502 0.665 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246434968 287083711 /nfs/dbraw/zinc/08/37/11/287083711.db2.gz BPZFBGNTXLLNSS-UKRRQHHQSA-N 1 3 300.447 0.473 20 0 DCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H]1CCCN(CCCO)C1 ZINC000418342472 287244845 /nfs/dbraw/zinc/24/48/45/287244845.db2.gz ISNLUOBGOMYNPE-GJZGRUSLSA-N 1 3 312.458 0.522 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCNCCOC)C1 ZINC000418510808 287248856 /nfs/dbraw/zinc/24/88/56/287248856.db2.gz QKBOZRITZCYFJQ-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCNCCOC)C1 ZINC000418510808 287248858 /nfs/dbraw/zinc/24/88/58/287248858.db2.gz QKBOZRITZCYFJQ-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418938708 287253589 /nfs/dbraw/zinc/25/35/89/287253589.db2.gz PTTGSRBKNFITRP-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419021291 287261679 /nfs/dbraw/zinc/26/16/79/287261679.db2.gz GSLZKBKHMHNEKA-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419022646 287262505 /nfs/dbraw/zinc/26/25/05/287262505.db2.gz IKCDGPCXFHYCGG-RFQIPJPRSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000332096021 415244050 /nfs/dbraw/zinc/24/40/50/415244050.db2.gz PJTFNMZCNIMJNP-ZIAGYGMSSA-N 1 3 322.453 0.459 20 0 DCADHO NC(=O)CNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422892837 287301891 /nfs/dbraw/zinc/30/18/91/287301891.db2.gz NXSKXNWODQZFAK-LSDHHAIUSA-N 1 3 318.421 0.651 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000332341752 415353859 /nfs/dbraw/zinc/35/38/59/415353859.db2.gz STURKKATUPOKSQ-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000422914278 287303833 /nfs/dbraw/zinc/30/38/33/287303833.db2.gz SOPLLRQWMBRCDB-XHSDSOJGSA-N 1 3 324.469 0.027 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423353089 287304328 /nfs/dbraw/zinc/30/43/28/287304328.db2.gz AYAOHFXUZJVODT-PBHICJAKSA-N 1 3 303.406 0.995 20 0 DCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000332668204 415429437 /nfs/dbraw/zinc/42/94/37/415429437.db2.gz YVWDCPZXFJBZCH-RBSFLKMASA-N 1 3 322.453 0.269 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000332890025 415505114 /nfs/dbraw/zinc/50/51/14/415505114.db2.gz DNQISVIYZIQRCC-SOUVJXGZSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000332890025 415505121 /nfs/dbraw/zinc/50/51/21/415505121.db2.gz DNQISVIYZIQRCC-SOUVJXGZSA-N 1 3 310.442 0.633 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)C1 ZINC000353436950 415543989 /nfs/dbraw/zinc/54/39/89/415543989.db2.gz VEEZLYNBRGEALW-ILXRZTDVSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000353436950 415543998 /nfs/dbraw/zinc/54/39/98/415543998.db2.gz VEEZLYNBRGEALW-ILXRZTDVSA-N 1 3 310.442 0.443 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000353436950 415544005 /nfs/dbraw/zinc/54/40/05/415544005.db2.gz VEEZLYNBRGEALW-ILXRZTDVSA-N 1 3 310.442 0.443 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(N)C(F)(F)F)CC1 ZINC000353451064 415551272 /nfs/dbraw/zinc/55/12/72/415551272.db2.gz PIUXDMHEDLGYSZ-ONGXEEELSA-N 1 3 311.348 0.427 20 0 DCADHO C[C@@H](NC(=O)c1ccoc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212714 415613221 /nfs/dbraw/zinc/61/32/21/415613221.db2.gz JKDSLZDMDIQITJ-CYBMUJFWSA-N 1 3 324.425 0.350 20 0 DCADHO CCC[C@](C)([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000353654479 415615631 /nfs/dbraw/zinc/61/56/31/415615631.db2.gz ZPCCSBIKENFWID-CJNGLKHVSA-N 1 3 312.458 0.563 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353651228 415616201 /nfs/dbraw/zinc/61/62/01/415616201.db2.gz WTVMVKXZVZXHBB-RHSMWYFYSA-N 1 3 324.469 0.435 20 0 DCADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000353770983 415654695 /nfs/dbraw/zinc/65/46/95/415654695.db2.gz VTJYTRXVUUEMCV-HIFRSBDPSA-N 1 3 307.438 0.970 20 0 DCADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000353770983 415654699 /nfs/dbraw/zinc/65/46/99/415654699.db2.gz VTJYTRXVUUEMCV-HIFRSBDPSA-N 1 3 307.438 0.970 20 0 DCADHO CCN1CC[C@H](N(C)C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)[C@@H](C)C1 ZINC000343776994 415724635 /nfs/dbraw/zinc/72/46/35/415724635.db2.gz WRDLJNKBQBASLT-IXIBIKRGSA-N 1 3 321.465 0.990 20 0 DCADHO C[C@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCN1 ZINC000333719759 415725634 /nfs/dbraw/zinc/72/56/34/415725634.db2.gz UJTWLGZXXIQOTA-NFOMZHRRSA-N 1 3 309.458 0.206 20 0 DCADHO C[C@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CCN1 ZINC000333719759 415725640 /nfs/dbraw/zinc/72/56/40/415725640.db2.gz UJTWLGZXXIQOTA-NFOMZHRRSA-N 1 3 309.458 0.206 20 0 DCADHO O=C(NCCN1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000333737021 415727084 /nfs/dbraw/zinc/72/70/84/415727084.db2.gz XAOBMAQLXGVSFC-UHFFFAOYSA-N 1 3 323.485 0.552 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333794988 415741429 /nfs/dbraw/zinc/74/14/29/415741429.db2.gz GVCIIMOWWWEOHQ-ILXRZTDVSA-N 1 3 310.442 0.633 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000333826757 415746800 /nfs/dbraw/zinc/74/68/00/415746800.db2.gz LSTKWHSMQYWSRZ-DZKIICNBSA-N 1 3 324.469 0.879 20 0 DCADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000333842504 415749429 /nfs/dbraw/zinc/74/94/29/415749429.db2.gz ONKHRTLPCXKFGI-INIZCTEOSA-N 1 3 324.469 0.740 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C1 ZINC000333923713 415764027 /nfs/dbraw/zinc/76/40/27/415764027.db2.gz SMXWSXBMATXZBG-LEOABGAYSA-N 1 3 324.469 0.735 20 0 DCADHO O=C(NC[C@H]1CNCCO1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000333948272 415767480 /nfs/dbraw/zinc/76/74/80/415767480.db2.gz WEPBBVVUEPXBHU-MRXNPFEDSA-N 1 3 324.469 0.929 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000356221864 415886350 /nfs/dbraw/zinc/88/63/50/415886350.db2.gz INDOIUNOQCZSJN-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000356221864 415886355 /nfs/dbraw/zinc/88/63/55/415886355.db2.gz INDOIUNOQCZSJN-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CO[C@H](CN)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000296377277 415924434 /nfs/dbraw/zinc/92/44/34/415924434.db2.gz KFFBPZLBBNDZQN-BXUZGUMPSA-N 1 3 321.377 0.508 20 0 DCADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCNCC3)cn2)CC[NH2+]1 ZINC000296395135 415927059 /nfs/dbraw/zinc/92/70/59/415927059.db2.gz LEXNEENVPXHKGY-STQMWFEESA-N 1 3 303.410 0.818 20 0 DCADHO COC1(CO)CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000337353492 415948938 /nfs/dbraw/zinc/94/89/38/415948938.db2.gz ADHILLZJQDWWHO-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000356553097 415949254 /nfs/dbraw/zinc/94/92/54/415949254.db2.gz QBYXYEANANUNSY-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000356553097 415949258 /nfs/dbraw/zinc/94/92/58/415949258.db2.gz QBYXYEANANUNSY-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(c2ccncc2)CC1 ZINC000134001605 415954780 /nfs/dbraw/zinc/95/47/80/415954780.db2.gz WRNGHAIOYSVSRZ-ZDUSSCGKSA-N 1 3 306.435 0.825 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000153375742 415980682 /nfs/dbraw/zinc/98/06/82/415980682.db2.gz AJIFFYOOCJDOAZ-ZBFHGGJFSA-N 1 3 313.442 0.059 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000338061580 416041253 /nfs/dbraw/zinc/04/12/53/416041253.db2.gz YKCAXHLDEVRFBY-INIZCTEOSA-N 1 3 310.486 0.862 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N(C)C ZINC000345093659 416042918 /nfs/dbraw/zinc/04/29/18/416042918.db2.gz UQHIKSDPPVFSHV-ARFHVFGLSA-N 1 3 310.486 0.811 20 0 DCADHO CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000357202262 416043909 /nfs/dbraw/zinc/04/39/09/416043909.db2.gz DMSMDAJMEUDAND-HUUCEWRRSA-N 1 3 322.453 0.234 20 0 DCADHO CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000357202262 416043911 /nfs/dbraw/zinc/04/39/11/416043911.db2.gz DMSMDAJMEUDAND-HUUCEWRRSA-N 1 3 322.453 0.234 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2CC[NH3+])CC1=O ZINC000357361418 416068100 /nfs/dbraw/zinc/06/81/00/416068100.db2.gz KANRUDYZEXEPRD-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000337727696 416003054 /nfs/dbraw/zinc/00/30/54/416003054.db2.gz UZXAZLINHPCISD-GOEBONIOSA-N 1 3 314.474 0.576 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000337727696 416003056 /nfs/dbraw/zinc/00/30/56/416003056.db2.gz UZXAZLINHPCISD-GOEBONIOSA-N 1 3 314.474 0.576 20 0 DCADHO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000168376266 416023799 /nfs/dbraw/zinc/02/37/99/416023799.db2.gz ADJFGRNUAFQZDA-CYBMUJFWSA-N 1 3 320.437 0.450 20 0 DCADHO CCN1CCN(C(=O)[C@@H](C)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000357073665 416031074 /nfs/dbraw/zinc/03/10/74/416031074.db2.gz IBQYZUUTAIVYJW-NVXWUHKLSA-N 1 3 322.497 0.861 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N(C)CCN(C)C)CC1 ZINC000176310175 416123847 /nfs/dbraw/zinc/12/38/47/416123847.db2.gz RAIRGMSKVWADMY-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000357798177 416134463 /nfs/dbraw/zinc/13/44/63/416134463.db2.gz QXOKJCVDBQKDGE-KRWDZBQOSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178875090 416175586 /nfs/dbraw/zinc/17/55/86/416175586.db2.gz QZLXFVBLZNLHEF-HNNXBMFYSA-N 1 3 300.422 0.222 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000347688151 416222046 /nfs/dbraw/zinc/22/20/46/416222046.db2.gz RNVHTVIPBMQUNK-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000347688151 416222047 /nfs/dbraw/zinc/22/20/47/416222047.db2.gz RNVHTVIPBMQUNK-MRXNPFEDSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCN1C ZINC000348020129 416230468 /nfs/dbraw/zinc/23/04/68/416230468.db2.gz CPSJOOUVFGZQSK-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCN1C ZINC000348020128 416230524 /nfs/dbraw/zinc/23/05/24/416230524.db2.gz CPSJOOUVFGZQSK-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NC2CCN(C)CC2)C1 ZINC000348069939 416232561 /nfs/dbraw/zinc/23/25/61/416232561.db2.gz IFJBGKCCXALPMA-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1)Cc1ccccc1 ZINC000358718371 416273856 /nfs/dbraw/zinc/27/38/56/416273856.db2.gz KHIXNUDQOATLFR-QGZVFWFLSA-N 1 3 320.437 0.484 20 0 DCADHO CN(CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)Cc1ccccc1 ZINC000358718371 416273861 /nfs/dbraw/zinc/27/38/61/416273861.db2.gz KHIXNUDQOATLFR-QGZVFWFLSA-N 1 3 320.437 0.484 20 0 DCADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]12 ZINC000351496388 416274874 /nfs/dbraw/zinc/27/48/74/416274874.db2.gz RMQHVRXRMLBLCX-IVZWLZJFSA-N 1 3 322.331 0.434 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N(CCN(C)C)C(C)C)C1CC1 ZINC000359325841 416341634 /nfs/dbraw/zinc/34/16/34/416341634.db2.gz UBEHJMBYTCHIIC-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N(CCN(C)C)C(C)C)C1CC1 ZINC000359325841 416341636 /nfs/dbraw/zinc/34/16/36/416341636.db2.gz UBEHJMBYTCHIIC-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)C2CNC2)cc1 ZINC000415729554 416352429 /nfs/dbraw/zinc/35/24/29/416352429.db2.gz CNAXGXWGZQFBAG-UHFFFAOYSA-N 1 3 318.421 0.897 20 0 DCADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCCNCC1 ZINC000331519857 416322881 /nfs/dbraw/zinc/32/28/81/416322881.db2.gz NMTUOCMMGSECKP-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360172763 416377241 /nfs/dbraw/zinc/37/72/41/416377241.db2.gz VCBVCYPBWRWKBP-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360172763 416377243 /nfs/dbraw/zinc/37/72/43/416377243.db2.gz VCBVCYPBWRWKBP-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000416882216 416377603 /nfs/dbraw/zinc/37/76/03/416377603.db2.gz IHXAAJXUXOXXLZ-OAHLLOKOSA-N 1 3 306.410 0.617 20 0 DCADHO COCC[NH2+]CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000416881824 416377688 /nfs/dbraw/zinc/37/76/88/416377688.db2.gz HWYSJWYZVIIFPS-UHFFFAOYSA-N 1 3 308.426 0.783 20 0 DCADHO [NH3+]CCN(CCO)C(=O)NCCCN1CCc2ccccc2C1 ZINC000417012964 416381967 /nfs/dbraw/zinc/38/19/67/416381967.db2.gz BGODUNIMJNGRQQ-UHFFFAOYSA-N 1 3 320.437 0.397 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N[C@H](CC[NH3+])C(F)F)CCCO1 ZINC000418123497 416385790 /nfs/dbraw/zinc/38/57/90/416385790.db2.gz ZAPQIALPJXQATE-VXGBXAGGSA-N 1 3 322.400 0.769 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418383389 416386582 /nfs/dbraw/zinc/38/65/82/416386582.db2.gz NMWVFEWYLJCLEM-OAHLLOKOSA-N 1 3 312.458 0.724 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418451929 416387296 /nfs/dbraw/zinc/38/72/96/416387296.db2.gz WQOCRVWCDQXHCS-UONOGXRCSA-N 1 3 300.447 0.506 20 0 DCADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCNc2ccncc2)CC1 ZINC000418663699 416388492 /nfs/dbraw/zinc/38/84/92/416388492.db2.gz HNQXTBVRKKKDBZ-HDJSIYSDSA-N 1 3 305.426 0.980 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CCCCC1 ZINC000418832333 416391447 /nfs/dbraw/zinc/39/14/47/416391447.db2.gz JZWRJCWMGGJQTG-KBPBESRZSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@@H]1CN ZINC000418990418 416395513 /nfs/dbraw/zinc/39/55/13/416395513.db2.gz VRWPCCZKFSSZFD-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H]1CN ZINC000418990418 416395515 /nfs/dbraw/zinc/39/55/15/416395515.db2.gz VRWPCCZKFSSZFD-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419034391 416395857 /nfs/dbraw/zinc/39/58/57/416395857.db2.gz ZLRVOIZXOXNMQZ-HZSPNIEDSA-N 1 3 312.458 0.147 20 0 DCADHO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCSC1 ZINC000360656160 416401935 /nfs/dbraw/zinc/40/19/35/416401935.db2.gz GIQNYEPVFKXBAM-IUODEOHRSA-N 1 3 312.483 0.960 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)N[C@@H](CN)C1CC1)[NH+]1CCCCC1 ZINC000419716696 416405498 /nfs/dbraw/zinc/40/54/98/416405498.db2.gz RRJPYMPVZPCJLW-JSGCOSHPSA-N 1 3 310.442 0.221 20 0 DCADHO NC[C@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419754579 416408869 /nfs/dbraw/zinc/40/88/69/416408869.db2.gz AOFTUWQCZKYIPK-OAHLLOKOSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[C@H]1[NH3+] ZINC000419769113 416410203 /nfs/dbraw/zinc/41/02/03/416410203.db2.gz DATYDUIAVJHIBF-MCIONIFRSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419780909 416410663 /nfs/dbraw/zinc/41/06/63/416410663.db2.gz RMFUWYDWSZGRER-AWEZNQCLSA-N 1 3 324.469 0.467 20 0 DCADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N(C)CC[NH3+] ZINC000423092010 416466502 /nfs/dbraw/zinc/46/65/02/416466502.db2.gz ADIROBTTXYZZMT-UHFFFAOYSA-N 1 3 324.400 0.133 20 0 DCADHO CCOC(=O)C1([C@H](C)N[C@@H]2COC[C@H]2OCC)CC[NH2+]CC1 ZINC000423151792 416469860 /nfs/dbraw/zinc/46/98/60/416469860.db2.gz DYYKQVWZERQIQJ-BFHYXJOUSA-N 1 3 314.426 0.701 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434353541 416473636 /nfs/dbraw/zinc/47/36/36/416473636.db2.gz WKXAVOQLNSRKBY-ZBFHGGJFSA-N 1 3 312.458 0.615 20 0 DCADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458545631 416478179 /nfs/dbraw/zinc/47/81/79/416478179.db2.gz GQHZWRURUXQHSY-YCPHGPKFSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458545631 416478184 /nfs/dbraw/zinc/47/81/84/416478184.db2.gz GQHZWRURUXQHSY-YCPHGPKFSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1=CC[N@H+](C)CC1 ZINC000458636923 416488102 /nfs/dbraw/zinc/48/81/02/416488102.db2.gz RZWLZLXMTQZYFH-HOCLYGCPSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1=CC[N@@H+](C)CC1 ZINC000458636923 416488107 /nfs/dbraw/zinc/48/81/07/416488107.db2.gz RZWLZLXMTQZYFH-HOCLYGCPSA-N 1 3 324.469 0.783 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000423762106 416561650 /nfs/dbraw/zinc/56/16/50/416561650.db2.gz SDZHVROGVROZPC-OAHLLOKOSA-N 1 3 308.470 0.886 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000423762106 416561654 /nfs/dbraw/zinc/56/16/54/416561654.db2.gz SDZHVROGVROZPC-OAHLLOKOSA-N 1 3 308.470 0.886 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423620904 416529316 /nfs/dbraw/zinc/52/93/16/416529316.db2.gz XAQQPJFMUAJYMH-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423630889 416530667 /nfs/dbraw/zinc/53/06/67/416530667.db2.gz FMFONBNPZWFZPI-HZPDHXFCSA-N 1 3 308.470 0.790 20 0 DCADHO NC[C@H]1CCCCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000423625189 416530683 /nfs/dbraw/zinc/53/06/83/416530683.db2.gz QUILSIOJPCDWGK-OAHLLOKOSA-N 1 3 322.453 0.413 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000423723751 416549136 /nfs/dbraw/zinc/54/91/36/416549136.db2.gz MBNXMQNKGGPRFW-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H](C)C[NH3+] ZINC000423754084 416558155 /nfs/dbraw/zinc/55/81/55/416558155.db2.gz YBSXROJSCZFFAO-KBPBESRZSA-N 1 3 313.442 0.847 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423516217 416518824 /nfs/dbraw/zinc/51/88/24/416518824.db2.gz SZAAPZJAPRYCMV-UONOGXRCSA-N 1 3 312.458 0.228 20 0 DCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423766825 416562878 /nfs/dbraw/zinc/56/28/78/416562878.db2.gz CWKNWZXUTSZMOL-IPYPFGDCSA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423766825 416562881 /nfs/dbraw/zinc/56/28/81/416562881.db2.gz CWKNWZXUTSZMOL-IPYPFGDCSA-N 1 3 310.442 0.171 20 0 DCADHO CCN(CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CC1 ZINC000424142206 416615933 /nfs/dbraw/zinc/61/59/33/416615933.db2.gz DMEQUWGVWJMCQZ-ZDUSSCGKSA-N 1 3 306.414 0.417 20 0 DCADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3N)nc2)CC1 ZINC000424153829 416617869 /nfs/dbraw/zinc/61/78/69/416617869.db2.gz LQVNRMRRJWFDCC-KGLIPLIRSA-N 1 3 303.410 0.898 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N(CC)CC ZINC000424222612 416629295 /nfs/dbraw/zinc/62/92/95/416629295.db2.gz FQYPDUUCVQKTNP-ZNMIVQPWSA-N 1 3 307.442 0.794 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000424230656 416630440 /nfs/dbraw/zinc/63/04/40/416630440.db2.gz BFSUDNYRZFJDIW-AWEZNQCLSA-N 1 3 318.421 0.802 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000367771152 416651376 /nfs/dbraw/zinc/65/13/76/416651376.db2.gz JVQQTOCHMBRCIK-MRXNPFEDSA-N 1 3 320.441 1.004 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000367771152 416651380 /nfs/dbraw/zinc/65/13/80/416651380.db2.gz JVQQTOCHMBRCIK-MRXNPFEDSA-N 1 3 320.441 1.004 20 0 DCADHO CCN(CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000440953327 416655553 /nfs/dbraw/zinc/65/55/53/416655553.db2.gz GEAZQCQBEIAMQO-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO CCN(CC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000440953327 416655557 /nfs/dbraw/zinc/65/55/57/416655557.db2.gz GEAZQCQBEIAMQO-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO CCN(CC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CC1 ZINC000440953327 416655562 /nfs/dbraw/zinc/65/55/62/416655562.db2.gz GEAZQCQBEIAMQO-UHFFFAOYSA-N 1 3 310.486 0.955 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000545176455 416664000 /nfs/dbraw/zinc/66/40/00/416664000.db2.gz KOUNXHRZAIWULF-CZUORRHYSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000545176455 416664004 /nfs/dbraw/zinc/66/40/04/416664004.db2.gz KOUNXHRZAIWULF-CZUORRHYSA-N 1 3 310.442 0.369 20 0 DCADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000545251208 416669464 /nfs/dbraw/zinc/66/94/64/416669464.db2.gz VVUASCAKXDNXJB-KGLIPLIRSA-N 1 3 300.447 0.546 20 0 DCADHO CN(C)CCN(C)CCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000623088181 416744351 /nfs/dbraw/zinc/74/43/51/416744351.db2.gz YTASJETZSSJHMM-UHFFFAOYSA-N 1 3 304.442 0.941 20 0 DCADHO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000614854253 416714258 /nfs/dbraw/zinc/71/42/58/416714258.db2.gz LYPFSEZERGMANT-MRXNPFEDSA-N 1 3 314.389 0.899 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000516571274 416727974 /nfs/dbraw/zinc/72/79/74/416727974.db2.gz QBPJBLZQIVPJOM-STQMWFEESA-N 1 3 320.437 0.606 20 0 DCADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000557201445 416730025 /nfs/dbraw/zinc/73/00/25/416730025.db2.gz YEFUXLAJRNYZEM-UONOGXRCSA-N 1 3 311.474 0.310 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000443231472 416738609 /nfs/dbraw/zinc/73/86/09/416738609.db2.gz NFLNYTRIJSFMGN-UONOGXRCSA-N 1 3 314.474 0.983 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC000631907772 416791406 /nfs/dbraw/zinc/79/14/06/416791406.db2.gz UAZULWIUJDQFAM-UHFFFAOYSA-N 1 3 307.460 0.098 20 0 DCADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCN1C1CC1 ZINC000427048340 416796625 /nfs/dbraw/zinc/79/66/25/416796625.db2.gz DMTKDTYHHSOXLK-CVEARBPZSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCN1C1CC1 ZINC000427048340 416796637 /nfs/dbraw/zinc/79/66/37/416796637.db2.gz DMTKDTYHHSOXLK-CVEARBPZSA-N 1 3 309.454 0.966 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970958 416929522 /nfs/dbraw/zinc/92/95/22/416929522.db2.gz GDZXSIIXCOBMKP-RYUDHWBXSA-N 1 3 305.430 0.788 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970958 416929529 /nfs/dbraw/zinc/92/95/29/416929529.db2.gz GDZXSIIXCOBMKP-RYUDHWBXSA-N 1 3 305.430 0.788 20 0 DCADHO COCCN(C)CC[C@H](NC(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000520203603 416950715 /nfs/dbraw/zinc/95/07/15/416950715.db2.gz VSLKJYCKDVHMIE-INIZCTEOSA-N 1 3 320.437 0.967 20 0 DCADHO CN(C)CC1(NS(=O)(=O)CCC[NH+]2CCCC2)CCC1 ZINC000632303012 417015997 /nfs/dbraw/zinc/01/59/97/417015997.db2.gz XLLQSXDCZZJRCT-UHFFFAOYSA-N 1 3 303.472 0.876 20 0 DCADHO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCC[NH2+]C1 ZINC000642785672 417097231 /nfs/dbraw/zinc/09/72/31/417097231.db2.gz CNGUOPLWQTZOLL-WMLDXEAASA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)[C@@H]1CC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000431027421 417099180 /nfs/dbraw/zinc/09/91/80/417099180.db2.gz WAQPOZOKLCXQPY-CQSZACIVSA-N 1 3 305.426 0.415 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642785969 417099625 /nfs/dbraw/zinc/09/96/25/417099625.db2.gz UXOJAUQEOKURFW-QEJZJMRPSA-N 1 3 322.453 0.173 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000642247089 417037741 /nfs/dbraw/zinc/03/77/41/417037741.db2.gz VQZSEWMTDFLCEX-OAHLLOKOSA-N 1 3 324.469 0.468 20 0 DCADHO Cc1csc(=O)n1CCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430619237 417049957 /nfs/dbraw/zinc/04/99/57/417049957.db2.gz GAYDAAASIBUQEZ-GFCCVEGCSA-N 1 3 312.439 0.005 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000642439376 417051296 /nfs/dbraw/zinc/05/12/96/417051296.db2.gz DCKBUXCMBQAUKU-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000642439325 417051560 /nfs/dbraw/zinc/05/15/60/417051560.db2.gz BREXWYQNQQXPSJ-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000642439324 417052237 /nfs/dbraw/zinc/05/22/37/417052237.db2.gz BREXWYQNQQXPSJ-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000642439861 417055502 /nfs/dbraw/zinc/05/55/02/417055502.db2.gz PRBMOTLVCOEKGH-YOEHRIQHSA-N 1 3 324.469 0.483 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H](CC)CN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000642439927 417056341 /nfs/dbraw/zinc/05/63/41/417056341.db2.gz RYZYSUPDLQHGLL-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1CCC(C)CC1 ZINC000642644509 417066185 /nfs/dbraw/zinc/06/61/85/417066185.db2.gz VPZHNEUBSATVHQ-CABCVRRESA-N 1 3 324.469 0.481 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642645492 417066883 /nfs/dbraw/zinc/06/68/83/417066883.db2.gz ZPAADFOXPHQVPX-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCC1 ZINC000642698791 417072542 /nfs/dbraw/zinc/07/25/42/417072542.db2.gz QVCYGAOFUVMBMY-INIZCTEOSA-N 1 3 322.453 0.189 20 0 DCADHO O=C(COC1CNC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000431050766 417103285 /nfs/dbraw/zinc/10/32/85/417103285.db2.gz MYXYSQWBCDVQGC-MRXNPFEDSA-N 1 3 317.433 0.656 20 0 DCADHO O=C(COC1CNC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000431050766 417103289 /nfs/dbraw/zinc/10/32/89/417103289.db2.gz MYXYSQWBCDVQGC-MRXNPFEDSA-N 1 3 317.433 0.656 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000642732914 417083915 /nfs/dbraw/zinc/08/39/15/417083915.db2.gz BRDYATDQIQEDPD-CYBMUJFWSA-N 1 3 318.421 0.014 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000642731656 417085042 /nfs/dbraw/zinc/08/50/42/417085042.db2.gz AFMRXGKKNMVBPR-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642809786 417106568 /nfs/dbraw/zinc/10/65/68/417106568.db2.gz TWQYYYNWIYKCQG-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642929555 417128536 /nfs/dbraw/zinc/12/85/36/417128536.db2.gz AQKQTCJTKUXRLX-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642980395 417135343 /nfs/dbraw/zinc/13/53/43/417135343.db2.gz CFNTWEOBTVTLFY-KFWWJZLASA-N 1 3 324.469 0.624 20 0 DCADHO COC[C@@]1(C(=O)NCCC[NH2+]Cc2cccnc2)CCCCN1 ZINC000637806358 417188731 /nfs/dbraw/zinc/18/87/31/417188731.db2.gz IUMPUSWZJXEOAL-QGZVFWFLSA-N 1 3 320.437 0.836 20 0 DCADHO CC(CCN(C)C(C)(C)C(N)=O)CC[N@H+](C)C(C)(C)C(N)=O ZINC000411773834 417199790 /nfs/dbraw/zinc/19/97/90/417199790.db2.gz ULSOZLLJWBTSJQ-UHFFFAOYSA-N 1 3 314.474 0.794 20 0 DCADHO CC(CCN(C)C(C)(C)C(N)=O)CC[N@@H+](C)C(C)(C)C(N)=O ZINC000411773834 417199795 /nfs/dbraw/zinc/19/97/95/417199795.db2.gz ULSOZLLJWBTSJQ-UHFFFAOYSA-N 1 3 314.474 0.794 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000637843503 417205574 /nfs/dbraw/zinc/20/55/74/417205574.db2.gz AIOKMYLGAMIKEV-FVQBIDKESA-N 1 3 304.438 0.641 20 0 DCADHO NCc1nnc(-c2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)[nH]1 ZINC000569603508 417271970 /nfs/dbraw/zinc/27/19/70/417271970.db2.gz PKKMKMCCOYBXGL-UHFFFAOYSA-N 1 3 300.366 0.998 20 0 DCADHO COC(=O)CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CCCC1 ZINC000414712563 417294497 /nfs/dbraw/zinc/29/44/97/417294497.db2.gz UPICPMYOFWVOPH-ZDUSSCGKSA-N 1 3 311.426 0.601 20 0 DCADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627112441 417234355 /nfs/dbraw/zinc/23/43/55/417234355.db2.gz MENTUAATTONGFG-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO [NH3+]CC1(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000627111599 417235464 /nfs/dbraw/zinc/23/54/64/417235464.db2.gz CVIICXPNFFSDAY-ZIAGYGMSSA-N 1 3 310.442 0.810 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000433164773 417238649 /nfs/dbraw/zinc/23/86/49/417238649.db2.gz SGCGUINKLMQZLI-CQSZACIVSA-N 1 3 312.458 0.230 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627117890 417239468 /nfs/dbraw/zinc/23/94/68/417239468.db2.gz YHFFNKOVLBCANJ-VHDGCEQUSA-N 1 3 310.442 0.679 20 0 DCADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000569333266 417241282 /nfs/dbraw/zinc/24/12/82/417241282.db2.gz DBSQBZFZEFTOEH-HNNXBMFYSA-N 1 3 311.474 0.391 20 0 DCADHO c1csc(CCN2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000569344407 417245341 /nfs/dbraw/zinc/24/53/41/417245341.db2.gz JSIINMYCLDPXRI-UHFFFAOYSA-N 1 3 308.495 0.813 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000643592599 417250433 /nfs/dbraw/zinc/25/04/33/417250433.db2.gz CNUYWVGFQWBBGQ-NFAWXSAZSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000643592599 417250437 /nfs/dbraw/zinc/25/04/37/417250437.db2.gz CNUYWVGFQWBBGQ-NFAWXSAZSA-N 1 3 322.453 0.267 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638157587 417359111 /nfs/dbraw/zinc/35/91/11/417359111.db2.gz VTVWFZKKKHORAX-LLVKDONJSA-N 1 3 319.409 0.771 20 0 DCADHO Cc1c(C(=O)N2C[C@@H](C)NC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000570513015 417362474 /nfs/dbraw/zinc/36/24/74/417362474.db2.gz WEAWLXJIWDCRDI-MNOVXSKESA-N 1 3 306.414 0.333 20 0 DCADHO CCNC(=O)COc1ccc(CNC[C@H](C)C[NH3+])cc1OC ZINC000414877842 417308513 /nfs/dbraw/zinc/30/85/13/417308513.db2.gz NJGNIJHIBPOOHG-GFCCVEGCSA-N 1 3 309.410 0.895 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621844056 417319839 /nfs/dbraw/zinc/31/98/39/417319839.db2.gz OJQGQNXFGMNOTE-JKIFEVAISA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H](CC(=O)N(C)C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414985009 417322164 /nfs/dbraw/zinc/32/21/64/417322164.db2.gz MPGWUFLLGPDQIT-QWRGUYRKSA-N 1 3 310.364 0.279 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[NH2+]CC2CC2)CC1 ZINC000570217239 417327151 /nfs/dbraw/zinc/32/71/51/417327151.db2.gz XISGRVJREPRZAR-UHFFFAOYSA-N 1 3 303.410 0.772 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+]CCOCc2ccccc2)C1 ZINC000415082675 417329035 /nfs/dbraw/zinc/32/90/35/417329035.db2.gz DPPKIDSZLMZVRF-MRXNPFEDSA-N 1 3 305.422 0.990 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000638115944 417338691 /nfs/dbraw/zinc/33/86/91/417338691.db2.gz BLFYCXFHYLELTA-XHSDSOJGSA-N 1 3 303.406 0.883 20 0 DCADHO CN(C)c1ncc(C[NH2+]CCCCN2CCN(C)CC2)n1C ZINC000570922824 417404517 /nfs/dbraw/zinc/40/45/17/417404517.db2.gz NIYQWDJAWLOXEC-UHFFFAOYSA-N 1 3 308.474 0.603 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638287746 417408290 /nfs/dbraw/zinc/40/82/90/417408290.db2.gz XDYYLERYHKLION-QCEMKRCNSA-N 1 3 303.406 0.739 20 0 DCADHO N[C@@H]1CCO[C@@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000638288851 417408683 /nfs/dbraw/zinc/40/86/83/417408683.db2.gz CAXWVMMFSWVXOP-CABCVRRESA-N 1 3 304.394 0.530 20 0 DCADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638287743 417409088 /nfs/dbraw/zinc/40/90/88/417409088.db2.gz XDYYLERYHKLION-ARLBYUKCSA-N 1 3 303.406 0.739 20 0 DCADHO C[C@@H]1CC2(CN1CCn1nc3ccccn3c1=O)CC[NH2+]CC2 ZINC000643895311 417413276 /nfs/dbraw/zinc/41/32/76/417413276.db2.gz VJKQOGMGNBCPAO-CQSZACIVSA-N 1 3 315.421 0.960 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCCNC(=O)c2ccco2)CC1 ZINC000638322544 417420016 /nfs/dbraw/zinc/42/00/16/417420016.db2.gz WOJQLECHKZZVRK-UHFFFAOYSA-N 1 3 309.410 0.834 20 0 DCADHO CC(C)n1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000571122781 417426916 /nfs/dbraw/zinc/42/69/16/417426916.db2.gz QVAKFHYUFDOSIY-UHFFFAOYSA-N 1 3 310.446 1.421 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000638341923 417428046 /nfs/dbraw/zinc/42/80/46/417428046.db2.gz DDELAGROYWZSBN-HZPDHXFCSA-N 1 3 320.437 0.022 20 0 DCADHO CCN1CCN(CCC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000571169730 417430592 /nfs/dbraw/zinc/43/05/92/417430592.db2.gz YPSOOEDKPIKJKM-UHFFFAOYSA-N 1 3 304.438 0.789 20 0 DCADHO CN1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529285246 417431516 /nfs/dbraw/zinc/43/15/16/417431516.db2.gz VMGHETADAQKABC-INIZCTEOSA-N 1 3 324.469 0.881 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638190055 417371233 /nfs/dbraw/zinc/37/12/33/417371233.db2.gz HOPSVGYNPAWLMN-CQSZACIVSA-N 1 3 301.431 0.230 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)ccc1CN(C)C ZINC000415348580 417371586 /nfs/dbraw/zinc/37/15/86/417371586.db2.gz BNDCEKLPOXYKLK-ZDUSSCGKSA-N 1 3 304.394 0.555 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638203391 417372035 /nfs/dbraw/zinc/37/20/35/417372035.db2.gz MHSMXDIBGWYABV-FVQBIDKESA-N 1 3 304.438 0.560 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627357493 417372866 /nfs/dbraw/zinc/37/28/66/417372866.db2.gz HTWOVKWVTXFCDN-OKILXGFUSA-N 1 3 312.458 0.278 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627357493 417372883 /nfs/dbraw/zinc/37/28/83/417372883.db2.gz HTWOVKWVTXFCDN-OKILXGFUSA-N 1 3 312.458 0.278 20 0 DCADHO NC[C@H](NC(=O)CN1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000638207555 417376499 /nfs/dbraw/zinc/37/64/99/417376499.db2.gz ZXSUMRPRCKDLDZ-KRWDZBQOSA-N 1 3 312.417 0.861 20 0 DCADHO C[C@@H]1C[C@H](C)N(C(=O)c2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000638356306 417434248 /nfs/dbraw/zinc/43/42/48/417434248.db2.gz GIDZLZCTIUGMMX-HZSPNIEDSA-N 1 3 307.442 0.890 20 0 DCADHO Cc1cc(NC(=O)CC[NH2+]C[C@@H](O)CN2CCC(C)CC2)no1 ZINC000571642685 417449758 /nfs/dbraw/zinc/44/97/58/417449758.db2.gz QXJZPJHASRGCDO-CQSZACIVSA-N 1 3 324.425 0.994 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000638442484 417457035 /nfs/dbraw/zinc/45/70/35/417457035.db2.gz VPKTZSMAUWHJEO-XYJFISCASA-N 1 3 316.449 0.786 20 0 DCADHO COCCOCCN(C)CCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000638441227 417457207 /nfs/dbraw/zinc/45/72/07/417457207.db2.gz FJOBMYBGXWXSLP-GDBMZVCRSA-N 1 3 313.442 0.311 20 0 DCADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC2(CNC2)C1 ZINC000638436550 417458684 /nfs/dbraw/zinc/45/86/84/417458684.db2.gz BLUMPBMWFZUXHA-INIZCTEOSA-N 1 3 315.417 0.709 20 0 DCADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOC2(CNC2)C1 ZINC000638436550 417458690 /nfs/dbraw/zinc/45/86/90/417458690.db2.gz BLUMPBMWFZUXHA-INIZCTEOSA-N 1 3 315.417 0.709 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000633678325 417477286 /nfs/dbraw/zinc/47/72/86/417477286.db2.gz CWAJCFWAHIDNHT-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000633678325 417477291 /nfs/dbraw/zinc/47/72/91/417477291.db2.gz CWAJCFWAHIDNHT-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCNC(=O)CC2)ccn1 ZINC000634973484 417553810 /nfs/dbraw/zinc/55/38/10/417553810.db2.gz CGGBHXNKMSAXED-CQSZACIVSA-N 1 3 306.410 0.780 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000576120344 417582413 /nfs/dbraw/zinc/58/24/13/417582413.db2.gz CNFZKUNVZRQOLR-WMLDXEAASA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000576120344 417582419 /nfs/dbraw/zinc/58/24/19/417582419.db2.gz CNFZKUNVZRQOLR-WMLDXEAASA-N 1 3 309.454 0.824 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)CNC[C@H]3CCCO3)cn2)CC1 ZINC000638978149 417594501 /nfs/dbraw/zinc/59/45/01/417594501.db2.gz WFMJHRRYWMBIRA-OAHLLOKOSA-N 1 3 321.425 0.857 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1=O ZINC000638818638 417563711 /nfs/dbraw/zinc/56/37/11/417563711.db2.gz CZJRTMNFKRRRIY-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845891 417567594 /nfs/dbraw/zinc/56/75/94/417567594.db2.gz XFZBFHJQDJRDCD-INIZCTEOSA-N 1 3 318.421 0.048 20 0 DCADHO CCC1([NH+]2CCCC2)CCN(C(=O)CN2CCNCC2)CC1 ZINC000638862579 417572433 /nfs/dbraw/zinc/57/24/33/417572433.db2.gz WGWAMZPCEWABDW-UHFFFAOYSA-N 1 3 308.470 0.759 20 0 DCADHO [NH3+][C@H](CCNC(=O)[C@H]1CN2CCC[C@H]2CO1)Cc1ccccc1 ZINC000638878869 417574999 /nfs/dbraw/zinc/57/49/99/417574999.db2.gz HFKDCQSAGYTRPU-IXDOHACOSA-N 1 3 317.433 0.926 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000531578774 417627546 /nfs/dbraw/zinc/62/75/46/417627546.db2.gz HGEUBFZVGCHJMN-MRXNPFEDSA-N 1 3 310.486 0.955 20 0 DCADHO CO[C@@]1(CNCC(=O)NCC[NH+]2CCCCCC2)CCOC1 ZINC000639207612 417638792 /nfs/dbraw/zinc/63/87/92/417638792.db2.gz ZXWYBEPJRBMRNL-MRXNPFEDSA-N 1 3 313.442 0.374 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1=O ZINC000628746315 417685515 /nfs/dbraw/zinc/68/55/15/417685515.db2.gz BFCOFCGEIAHUHN-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1=O ZINC000628746315 417685521 /nfs/dbraw/zinc/68/55/21/417685521.db2.gz BFCOFCGEIAHUHN-CABCVRRESA-N 1 3 324.469 0.245 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000635495893 417679367 /nfs/dbraw/zinc/67/93/67/417679367.db2.gz ALASMDDISWICSV-HNNXBMFYSA-N 1 3 322.453 0.095 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000635495893 417679369 /nfs/dbraw/zinc/67/93/69/417679369.db2.gz ALASMDDISWICSV-HNNXBMFYSA-N 1 3 322.453 0.095 20 0 DCADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000580579913 417714682 /nfs/dbraw/zinc/71/46/82/417714682.db2.gz AISHXYROSSWBOT-NXOAAHMSSA-N 1 3 313.486 0.873 20 0 DCADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000580579913 417714685 /nfs/dbraw/zinc/71/46/85/417714685.db2.gz AISHXYROSSWBOT-NXOAAHMSSA-N 1 3 313.486 0.873 20 0 DCADHO CCCN(C(=O)NCCN(C)CCOC)[C@H]1CCN(C)C1 ZINC000645250023 417718221 /nfs/dbraw/zinc/71/82/21/417718221.db2.gz UJLPARZOBQEFRE-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CCCN(C(=O)NCCN(C)CCOC)[C@H]1CC[N@H+](C)C1 ZINC000645250023 417718225 /nfs/dbraw/zinc/71/82/25/417718225.db2.gz UJLPARZOBQEFRE-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CCCN(C(=O)NCCN(C)CCOC)[C@H]1CC[N@@H+](C)C1 ZINC000645250023 417718230 /nfs/dbraw/zinc/71/82/30/417718230.db2.gz UJLPARZOBQEFRE-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN1CCCO)C(C)C ZINC000458199411 417730700 /nfs/dbraw/zinc/73/07/00/417730700.db2.gz IOHIDAJAUHKNBG-HNNXBMFYSA-N 1 3 314.474 0.863 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN1CCCO)C(C)C ZINC000458199411 417730702 /nfs/dbraw/zinc/73/07/02/417730702.db2.gz IOHIDAJAUHKNBG-HNNXBMFYSA-N 1 3 314.474 0.863 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000630747988 417824908 /nfs/dbraw/zinc/82/49/08/417824908.db2.gz BHJUPGXTVBXSCV-HUUCEWRRSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000630747988 417824912 /nfs/dbraw/zinc/82/49/12/417824912.db2.gz BHJUPGXTVBXSCV-HUUCEWRRSA-N 1 3 305.426 0.801 20 0 DCADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000645953536 417831793 /nfs/dbraw/zinc/83/17/93/417831793.db2.gz YZQFRWSZSCXWCG-STQMWFEESA-N 1 3 303.410 0.701 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CCCC[NH3+])c1 ZINC000645896606 417818182 /nfs/dbraw/zinc/81/81/82/417818182.db2.gz KYGXOHVTYSNWNC-UHFFFAOYSA-N 1 3 320.437 0.723 20 0 DCADHO CN1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681371 417849650 /nfs/dbraw/zinc/84/96/50/417849650.db2.gz GBLYFHCYAGXRFI-STQMWFEESA-N 1 3 306.414 0.274 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662684926 417850922 /nfs/dbraw/zinc/85/09/22/417850922.db2.gz LUIGSLDFFGXFLG-OLZOCXBDSA-N 1 3 305.426 0.900 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000646455748 417851254 /nfs/dbraw/zinc/85/12/54/417851254.db2.gz GDKDFYHAXPLPDY-MRXNPFEDSA-N 1 3 306.454 0.319 20 0 DCADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[N@H+]3C3CC3)C2)CC1 ZINC000646455748 417851259 /nfs/dbraw/zinc/85/12/59/417851259.db2.gz GDKDFYHAXPLPDY-MRXNPFEDSA-N 1 3 306.454 0.319 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000662694823 417859286 /nfs/dbraw/zinc/85/92/86/417859286.db2.gz UBCBCRXRWWLPNS-AWEZNQCLSA-N 1 3 322.457 0.867 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662703203 417861881 /nfs/dbraw/zinc/86/18/81/417861881.db2.gz QDWRAJOLJQUECW-ZBFHGGJFSA-N 1 3 321.421 0.607 20 0 DCADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662715544 417868282 /nfs/dbraw/zinc/86/82/82/417868282.db2.gz JUSYTSICWWPROU-HNNXBMFYSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCC[C@H](N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)C1 ZINC000652241485 417871225 /nfs/dbraw/zinc/87/12/25/417871225.db2.gz LYENUWUFXMYEAN-HNNXBMFYSA-N 1 3 323.485 0.537 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662746823 417882479 /nfs/dbraw/zinc/88/24/79/417882479.db2.gz SJEXGERKMIRPJV-ZIAGYGMSSA-N 1 3 320.441 0.664 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000662748546 417884649 /nfs/dbraw/zinc/88/46/49/417884649.db2.gz AVJIEOJKDAYKLM-NEPJUHHUSA-N 1 3 307.398 0.555 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC2(C[NH3+])CCCCC2)n1 ZINC000662750485 417884986 /nfs/dbraw/zinc/88/49/86/417884986.db2.gz TUGFSBUEZOZCJS-UHFFFAOYSA-N 1 3 307.398 0.556 20 0 DCADHO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(C(C)(C)N)no2)CC1 ZINC000662757005 417893326 /nfs/dbraw/zinc/89/33/26/417893326.db2.gz JOPIVXXUTQFISF-LBPRGKRZSA-N 1 3 323.441 0.624 20 0 DCADHO CC(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)S(C)(=O)=O ZINC000646375751 417841797 /nfs/dbraw/zinc/84/17/97/417841797.db2.gz HNXXCEWYYGDHQA-UPJWGTAASA-N 1 3 302.440 0.658 20 0 DCADHO C[C@H](CC(=O)Nc1nc(N2CCNCC2)n[nH]1)[C@H]1CCC[NH2+]C1 ZINC000646803554 417916613 /nfs/dbraw/zinc/91/66/13/417916613.db2.gz IDXYNVUEJNXGPU-NEPJUHHUSA-N 1 3 321.429 0.179 20 0 DCADHO CN(C)[C@@H](CNC(=O)Cn1cc(CC[NH3+])nn1)c1ccccc1 ZINC000640837369 417924967 /nfs/dbraw/zinc/92/49/67/417924967.db2.gz QHLSZXAWUPKFCE-HNNXBMFYSA-N 1 3 316.409 0.198 20 0 DCADHO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858209 417926886 /nfs/dbraw/zinc/92/68/86/417926886.db2.gz FHYMZADLQUMABX-DLBZAZTESA-N 1 3 317.433 0.869 20 0 DCADHO C[C@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)C1=CCN(C)CC1 ZINC000652687615 417945099 /nfs/dbraw/zinc/94/50/99/417945099.db2.gz HSKGPRRBYAJZME-ZDUSSCGKSA-N 1 3 322.453 0.259 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000652694068 417945672 /nfs/dbraw/zinc/94/56/72/417945672.db2.gz NPVGTIGTMXSEQQ-UHFFFAOYSA-N 1 3 324.469 0.709 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000640941630 417947879 /nfs/dbraw/zinc/94/78/79/417947879.db2.gz XEHGVZFPZUFHLZ-ZFWWWQNUSA-N 1 3 303.410 0.911 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000652697797 417948021 /nfs/dbraw/zinc/94/80/21/417948021.db2.gz NMUFSYVIQKBATK-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCN2CCCCC2)CC[NH2+]1 ZINC000652702499 417949394 /nfs/dbraw/zinc/94/93/94/417949394.db2.gz YNLPEFCSMFIXFG-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000652731780 417959686 /nfs/dbraw/zinc/95/96/86/417959686.db2.gz UQFXGUYNVUGFHN-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@H](CN)C1 ZINC000662985356 417971674 /nfs/dbraw/zinc/97/16/74/417971674.db2.gz UWACQALTPFUNOL-JKIFEVAISA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@H](CN)C1 ZINC000662985356 417971678 /nfs/dbraw/zinc/97/16/78/417971678.db2.gz UWACQALTPFUNOL-JKIFEVAISA-N 1 3 322.453 0.126 20 0 DCADHO C[N@H+](C[C@@H](O)CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC1 ZINC000663366114 418013290 /nfs/dbraw/zinc/01/32/90/418013290.db2.gz UQXLEFKGEAUVTO-GVDBMIGSSA-N 1 3 323.481 0.675 20 0 DCADHO C[N@@H+](C[C@@H](O)CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC1 ZINC000663366114 418013291 /nfs/dbraw/zinc/01/32/91/418013291.db2.gz UQXLEFKGEAUVTO-GVDBMIGSSA-N 1 3 323.481 0.675 20 0 DCADHO CC[NH+](CC)CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000663403010 418016980 /nfs/dbraw/zinc/01/69/80/418016980.db2.gz QVPBOMQYSGZBFW-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000653124593 418031875 /nfs/dbraw/zinc/03/18/75/418031875.db2.gz BFERGTYXNLEXSU-HZPDHXFCSA-N 1 3 308.470 0.615 20 0 DCADHO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000653148049 418036202 /nfs/dbraw/zinc/03/62/02/418036202.db2.gz MOVSTQHWYGZZAR-DLBZAZTESA-N 1 3 318.465 0.998 20 0 DCADHO CC(C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)S(C)(=O)=O ZINC000658944883 418041092 /nfs/dbraw/zinc/04/10/92/418041092.db2.gz LDSAWXRXLWMUFR-AGIUHOORSA-N 1 3 302.440 0.800 20 0 DCADHO C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000659510076 418108549 /nfs/dbraw/zinc/10/85/49/418108549.db2.gz JYLQXCFEJOODGM-OFQRWUPVSA-N 1 3 324.469 0.927 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659555457 418117733 /nfs/dbraw/zinc/11/77/33/418117733.db2.gz QLMHIQFVLCGYQZ-GJZGRUSLSA-N 1 3 310.442 0.396 20 0 DCADHO C[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C[NH+]1CCCCC1 ZINC000663755114 418053919 /nfs/dbraw/zinc/05/39/19/418053919.db2.gz KBIDBBWMEWXRAI-KKUMJFAQSA-N 1 3 312.458 0.425 20 0 DCADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000647977395 418082918 /nfs/dbraw/zinc/08/29/18/418082918.db2.gz AUUSFRYWZQJPNO-JYJNAYRXSA-N 1 3 309.454 0.993 20 0 DCADHO C[N@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCC1 ZINC000659449889 418098837 /nfs/dbraw/zinc/09/88/37/418098837.db2.gz ASZXSRYFCMEXLX-UHFFFAOYSA-N 1 3 322.413 0.315 20 0 DCADHO C[N@@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CCCC1 ZINC000659449889 418098840 /nfs/dbraw/zinc/09/88/40/418098840.db2.gz ASZXSRYFCMEXLX-UHFFFAOYSA-N 1 3 322.413 0.315 20 0 DCADHO C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC[NH+](C)CC1 ZINC000659457665 418100350 /nfs/dbraw/zinc/10/03/50/418100350.db2.gz HUPQZHKBQMRWAL-SNVBAGLBSA-N 1 3 322.413 0.170 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000648120548 418101265 /nfs/dbraw/zinc/10/12/65/418101265.db2.gz HFVCSIBQVDUICR-HNNXBMFYSA-N 1 3 304.394 0.006 20 0 DCADHO C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(C)(C)C[NH+](C)C ZINC000659468091 418101860 /nfs/dbraw/zinc/10/18/60/418101860.db2.gz SPFYTKDFYOHSHX-JTQLQIEISA-N 1 3 324.429 0.416 20 0 DCADHO CCCN1CC[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000659608891 418125757 /nfs/dbraw/zinc/12/57/57/418125757.db2.gz GRXXHIUMMGNVAU-GJZGRUSLSA-N 1 3 309.458 0.160 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000659633325 418132791 /nfs/dbraw/zinc/13/27/91/418132791.db2.gz RTQTZLMPNWKNPC-GFCCVEGCSA-N 1 3 320.397 0.021 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000659634482 418133888 /nfs/dbraw/zinc/13/38/88/418133888.db2.gz ASTDFIONJATAND-KKUMJFAQSA-N 1 3 311.474 0.262 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000659636026 418134941 /nfs/dbraw/zinc/13/49/41/418134941.db2.gz UBESSYJYSUXOTQ-LBPRGKRZSA-N 1 3 307.398 0.530 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000659648341 418137105 /nfs/dbraw/zinc/13/71/05/418137105.db2.gz RWLMLGMSPDZKGS-WMLDXEAASA-N 1 3 320.437 0.531 20 0 DCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654386404 418139187 /nfs/dbraw/zinc/13/91/87/418139187.db2.gz WRGZDLOMNOURFB-LJISPDSOSA-N 1 3 308.426 0.074 20 0 DCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654386404 418139190 /nfs/dbraw/zinc/13/91/90/418139190.db2.gz WRGZDLOMNOURFB-LJISPDSOSA-N 1 3 308.426 0.074 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000659678248 418142611 /nfs/dbraw/zinc/14/26/11/418142611.db2.gz KCQKZAJCZCLTAF-KBPBESRZSA-N 1 3 320.437 0.347 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659681089 418145019 /nfs/dbraw/zinc/14/50/19/418145019.db2.gz PGRZKNICVWAUIG-STQMWFEESA-N 1 3 312.458 0.419 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N1CCC(C)CC1 ZINC000659688743 418147754 /nfs/dbraw/zinc/14/77/54/418147754.db2.gz IZYZPCNZZMMOJC-CBCUQQMYSA-N 1 3 322.453 0.173 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659696495 418150396 /nfs/dbraw/zinc/15/03/96/418150396.db2.gz AUDWGHZJUORXLY-UHFFFAOYSA-N 1 3 310.442 0.222 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCc2ncncc2C1 ZINC000648770521 418152939 /nfs/dbraw/zinc/15/29/39/418152939.db2.gz MCNUWZPVKIIVOW-AWEZNQCLSA-N 1 3 319.453 0.533 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659713774 418158070 /nfs/dbraw/zinc/15/80/70/418158070.db2.gz QLOJQDLVXOZUKJ-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659721817 418162964 /nfs/dbraw/zinc/16/29/64/418162964.db2.gz IRGXBMZDFGTKCQ-AGIUHOORSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000659723395 418163886 /nfs/dbraw/zinc/16/38/86/418163886.db2.gz MSVXNKMATHCDNW-CXAGYDPISA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734855 418168307 /nfs/dbraw/zinc/16/83/07/418168307.db2.gz PGDOUADAXLMILF-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000659741256 418171920 /nfs/dbraw/zinc/17/19/20/418171920.db2.gz IIHXJQBLFYLLKN-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000659740672 418172799 /nfs/dbraw/zinc/17/27/99/418172799.db2.gz DQYMOAHKEYKINM-MELADBBJSA-N 1 3 312.458 0.417 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cnccc3N)C2)CC1 ZINC000649334019 418240338 /nfs/dbraw/zinc/24/03/38/418240338.db2.gz BULAANQJWBXODO-LBPRGKRZSA-N 1 3 303.410 0.392 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cnccc3N)C2)CC1 ZINC000649334019 418240340 /nfs/dbraw/zinc/24/03/40/418240340.db2.gz BULAANQJWBXODO-LBPRGKRZSA-N 1 3 303.410 0.392 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cnccc3N)C2)CC1 ZINC000649334019 418240343 /nfs/dbraw/zinc/24/03/43/418240343.db2.gz BULAANQJWBXODO-LBPRGKRZSA-N 1 3 303.410 0.392 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CNCCC1(F)F ZINC000649344598 418244570 /nfs/dbraw/zinc/24/45/70/418244570.db2.gz FRFOKOLVEXAVKB-NEPJUHHUSA-N 1 3 307.385 0.704 20 0 DCADHO C[C@H](NC(=O)c1ccn(CCN(C)C)n1)C1CC[NH+](C)CC1 ZINC000654784200 418188345 /nfs/dbraw/zinc/18/83/45/418188345.db2.gz WFOWBUYWTNUVIP-ZDUSSCGKSA-N 1 3 307.442 0.905 20 0 DCADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000649071156 418190106 /nfs/dbraw/zinc/19/01/06/418190106.db2.gz DFKXRNHBUMWNPY-CYBMUJFWSA-N 1 3 310.442 0.297 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916814 418300637 /nfs/dbraw/zinc/30/06/37/418300637.db2.gz IOYBFNASMOCUAO-ZJUUUORDSA-N 1 3 312.336 0.286 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CCSC1 ZINC000655919588 418301596 /nfs/dbraw/zinc/30/15/96/418301596.db2.gz HXRZTTNCCNHHGZ-PSASIEDQSA-N 1 3 314.377 0.613 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656022180 418318294 /nfs/dbraw/zinc/31/82/94/418318294.db2.gz UIAHCRHUHOTMLU-ZIAGYGMSSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656024675 418319381 /nfs/dbraw/zinc/31/93/81/418319381.db2.gz SCCGUPBLLZOWHY-IGQOVBAYSA-N 1 3 310.442 0.362 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656024677 418319573 /nfs/dbraw/zinc/31/95/73/418319573.db2.gz SCCGUPBLLZOWHY-XUXIUFHCSA-N 1 3 310.442 0.362 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661359990 418332929 /nfs/dbraw/zinc/33/29/29/418332929.db2.gz UDBWYXVZFNLBPR-BMFZPTHFSA-N 1 3 324.469 0.879 20 0 DCADHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(N)=O ZINC000656198213 418335537 /nfs/dbraw/zinc/33/55/37/418335537.db2.gz WVZATYQNUTYMKW-CHWSQXEVSA-N 1 3 307.394 0.919 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656282538 418339691 /nfs/dbraw/zinc/33/96/91/418339691.db2.gz NFEPCHIDTRZJRW-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656304355 418342772 /nfs/dbraw/zinc/34/27/72/418342772.db2.gz XCALIBQXEBFDBV-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656304355 418342775 /nfs/dbraw/zinc/34/27/75/418342775.db2.gz XCALIBQXEBFDBV-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCN(CC2CCOCC2)CC1 ZINC000662262866 418393836 /nfs/dbraw/zinc/39/38/36/418393836.db2.gz JZMNZAUQHPUAHQ-MRXNPFEDSA-N 1 3 309.454 0.552 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)N(C)C ZINC000345093666 287477006 /nfs/dbraw/zinc/47/70/06/287477006.db2.gz UQHIKSDPPVFSHV-XHSDSOJGSA-N 1 3 310.486 0.811 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000471642533 287518281 /nfs/dbraw/zinc/51/82/81/287518281.db2.gz CPTMJZMOKZAVMY-UHFFFAOYSA-N 1 3 300.447 0.548 20 0 DCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN(CC)CCO ZINC000187309936 261123648 /nfs/dbraw/zinc/12/36/48/261123648.db2.gz WTHUZWCNWZJTHP-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN(CC)CCO ZINC000187309936 261123651 /nfs/dbraw/zinc/12/36/51/261123651.db2.gz WTHUZWCNWZJTHP-OAHLLOKOSA-N 1 3 314.474 0.864 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000187356383 261124018 /nfs/dbraw/zinc/12/40/18/261124018.db2.gz QXMXKWKZLKBVSE-ZDUSSCGKSA-N 1 3 302.463 0.576 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH3+])CCCCC2)CC1=O ZINC000237160364 261158236 /nfs/dbraw/zinc/15/82/36/261158236.db2.gz CNFQEEDSKZKGAD-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N(C)CC(=O)OC)C[C@H]1C ZINC000354225663 261192751 /nfs/dbraw/zinc/19/27/51/261192751.db2.gz SNNORFMQCCHETB-KGLIPLIRSA-N 1 3 313.442 0.813 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N(C)CC(=O)OC)C[C@H]1C ZINC000354225663 261192752 /nfs/dbraw/zinc/19/27/52/261192752.db2.gz SNNORFMQCCHETB-KGLIPLIRSA-N 1 3 313.442 0.813 20 0 DCADHO COC(=O)C(C)(C)CC[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000354326438 261204433 /nfs/dbraw/zinc/20/44/33/261204433.db2.gz DCNAXAVFSTVPJD-CYBMUJFWSA-N 1 3 313.442 0.753 20 0 DCADHO COC(=O)C(C)(C)CCNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354326438 261204436 /nfs/dbraw/zinc/20/44/36/261204436.db2.gz DCNAXAVFSTVPJD-CYBMUJFWSA-N 1 3 313.442 0.753 20 0 DCADHO COC(=O)C(C)(C)CCNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000354326438 261204438 /nfs/dbraw/zinc/20/44/38/261204438.db2.gz DCNAXAVFSTVPJD-CYBMUJFWSA-N 1 3 313.442 0.753 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000355014563 261297084 /nfs/dbraw/zinc/29/70/84/261297084.db2.gz QRKUKFLKAGRMAP-CQSZACIVSA-N 1 3 312.458 0.474 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000355014563 261297086 /nfs/dbraw/zinc/29/70/86/261297086.db2.gz QRKUKFLKAGRMAP-CQSZACIVSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000355274420 261323847 /nfs/dbraw/zinc/32/38/47/261323847.db2.gz PHPSNQXSPSEHME-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO [NH3+]CCN(CCO)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416787048 262240392 /nfs/dbraw/zinc/24/03/92/262240392.db2.gz NSBWZYOVLPWNLL-MRXNPFEDSA-N 1 3 320.437 0.786 20 0 DCADHO C[N@H+](CCCNC(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000416871952 262242095 /nfs/dbraw/zinc/24/20/95/262242095.db2.gz LEHROOYLNPQUOL-MRXNPFEDSA-N 1 3 320.437 0.796 20 0 DCADHO C[N@@H+](CCCNC(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000416871952 262242096 /nfs/dbraw/zinc/24/20/96/262242096.db2.gz LEHROOYLNPQUOL-MRXNPFEDSA-N 1 3 320.437 0.796 20 0 DCADHO CO[C@@H]1CCN(C(=O)NCCN2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000417015077 262243088 /nfs/dbraw/zinc/24/30/88/262243088.db2.gz LYMURTJRUVXCHP-LSDHHAIUSA-N 1 3 312.458 0.866 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000417715536 262259118 /nfs/dbraw/zinc/25/91/18/262259118.db2.gz SVGQORFJSNNLKX-HUUCEWRRSA-N 1 3 312.458 0.914 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000417742538 262260372 /nfs/dbraw/zinc/26/03/72/262260372.db2.gz BFHIURQHJONVJU-HUUCEWRRSA-N 1 3 313.490 0.557 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417760034 262260638 /nfs/dbraw/zinc/26/06/38/262260638.db2.gz XCHSMBRZQRMZNU-AWEZNQCLSA-N 1 3 300.447 0.725 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000417752292 262261000 /nfs/dbraw/zinc/26/10/00/262261000.db2.gz QMABOIVORSBLMD-HUUCEWRRSA-N 1 3 311.474 0.311 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCSC1 ZINC000417823795 262262492 /nfs/dbraw/zinc/26/24/92/262262492.db2.gz KFQASBSCAOHMPM-IPYPFGDCSA-N 1 3 312.483 0.675 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000417847146 262263797 /nfs/dbraw/zinc/26/37/97/262263797.db2.gz ZHDVWLRLOSRGIF-CABCVRRESA-N 1 3 318.421 0.233 20 0 DCADHO C[C@H](C[NH3+])CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417999710 262267803 /nfs/dbraw/zinc/26/78/03/262267803.db2.gz VHEAXRZNDYGPOU-CZUORRHYSA-N 1 3 320.437 0.647 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418073112 262269332 /nfs/dbraw/zinc/26/93/32/262269332.db2.gz WIXDICVIXUWFAM-GJZGRUSLSA-N 1 3 312.458 0.596 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000418115634 262270942 /nfs/dbraw/zinc/27/09/42/262270942.db2.gz OUOMSPULCBWRIU-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418191381 262271992 /nfs/dbraw/zinc/27/19/92/262271992.db2.gz KPOXBVLGBBSORO-CQSZACIVSA-N 1 3 321.425 0.573 20 0 DCADHO CSC1(CNC(=O)N2CCC[C@H]([NH3+])C2)CCN(C)CC1 ZINC000418195405 262272611 /nfs/dbraw/zinc/27/26/11/262272611.db2.gz FXBQIIHQTHMQTM-LBPRGKRZSA-N 1 3 300.472 0.947 20 0 DCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418529719 262281892 /nfs/dbraw/zinc/28/18/92/262281892.db2.gz UAAKSZABTLQFJL-BMFZPTHFSA-N 1 3 320.437 0.516 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000418545993 262282432 /nfs/dbraw/zinc/28/24/32/262282432.db2.gz WSPQWCDCCBLYIH-OAHLLOKOSA-N 1 3 310.442 0.298 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418609647 262284074 /nfs/dbraw/zinc/28/40/74/262284074.db2.gz CLRRTAGRCRYMET-CQSZACIVSA-N 1 3 300.447 0.724 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418655266 262285491 /nfs/dbraw/zinc/28/54/91/262285491.db2.gz QLZJDQUUANJOAY-GOEBONIOSA-N 1 3 320.437 0.927 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418784199 262289665 /nfs/dbraw/zinc/28/96/65/262289665.db2.gz GREPOEJZIPQZMS-ZNMIVQPWSA-N 1 3 312.458 0.866 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418784195 262289781 /nfs/dbraw/zinc/28/97/81/262289781.db2.gz GREPOEJZIPQZMS-ILXRZTDVSA-N 1 3 312.458 0.866 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000418827164 262291556 /nfs/dbraw/zinc/29/15/56/262291556.db2.gz DEVAHIRSXDUUPD-OAHLLOKOSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419075852 262306667 /nfs/dbraw/zinc/30/66/67/262306667.db2.gz GNQOSBMOOAHBAM-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419079522 262307413 /nfs/dbraw/zinc/30/74/13/262307413.db2.gz NACIYGCNXJJKOO-ZNMIVQPWSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419083286 262307976 /nfs/dbraw/zinc/30/79/76/262307976.db2.gz WCWKDJPQQOMHPH-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419096869 262309006 /nfs/dbraw/zinc/30/90/06/262309006.db2.gz DENURNAFEWGUHO-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419122986 262310951 /nfs/dbraw/zinc/31/09/51/262310951.db2.gz OQXTVRUVZHDGFO-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1CCC(C)CC1 ZINC000419158867 262314493 /nfs/dbraw/zinc/31/44/93/262314493.db2.gz NKIFPGJLLBSKMD-RBSFLKMASA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419165528 262316067 /nfs/dbraw/zinc/31/60/67/262316067.db2.gz GNMFICDYMKOFHH-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419165528 262316068 /nfs/dbraw/zinc/31/60/68/262316068.db2.gz GNMFICDYMKOFHH-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419220966 262320409 /nfs/dbraw/zinc/32/04/09/262320409.db2.gz AJEQROJHEXBCSF-AWEZNQCLSA-N 1 3 310.442 0.093 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419404388 262330262 /nfs/dbraw/zinc/33/02/62/262330262.db2.gz GDVRPLUUMACHCR-ZIAGYGMSSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419407132 262330679 /nfs/dbraw/zinc/33/06/79/262330679.db2.gz JQDZYZGFAJOYHG-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000419407648 262330760 /nfs/dbraw/zinc/33/07/60/262330760.db2.gz KQCYZGNUXBIRFU-QGZVFWFLSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000419411194 262331345 /nfs/dbraw/zinc/33/13/45/262331345.db2.gz BDTSIOUZDXCWLA-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000419587164 262338859 /nfs/dbraw/zinc/33/88/59/262338859.db2.gz NLLLXURSAUYBDD-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419595801 262339627 /nfs/dbraw/zinc/33/96/27/262339627.db2.gz XFVJVVODUQTBGD-BBRMVZONSA-N 1 3 310.442 0.174 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419596363 262339736 /nfs/dbraw/zinc/33/97/36/262339736.db2.gz XZFOLVQMJPXQBB-RRFJBIMHSA-N 1 3 324.469 0.705 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419595112 262339742 /nfs/dbraw/zinc/33/97/42/262339742.db2.gz VYZFXPYGHBPARF-KGLIPLIRSA-N 1 3 312.458 0.467 20 0 DCADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419697748 262347090 /nfs/dbraw/zinc/34/70/90/262347090.db2.gz RNHAURPKKNCDLO-UKRRQHHQSA-N 1 3 322.453 0.459 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419699035 262347437 /nfs/dbraw/zinc/34/74/37/262347437.db2.gz QOOHTVHRGSQTHZ-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419871136 262350256 /nfs/dbraw/zinc/35/02/56/262350256.db2.gz XGSIQYOMOXOEMJ-AWEZNQCLSA-N 1 3 312.458 0.148 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419990468 262356288 /nfs/dbraw/zinc/35/62/88/262356288.db2.gz GAWDYCMLGSPFPX-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420107709 262361141 /nfs/dbraw/zinc/36/11/41/262361141.db2.gz TUMIYQRMFZWZGI-BBRMVZONSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CCCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)C[NH3+] ZINC000420351004 262370587 /nfs/dbraw/zinc/37/05/87/262370587.db2.gz ISLABZLSKZZANC-LBPRGKRZSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)CN ZINC000420351004 262370589 /nfs/dbraw/zinc/37/05/89/262370589.db2.gz ISLABZLSKZZANC-LBPRGKRZSA-N 1 3 305.378 0.314 20 0 DCADHO C[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)CN ZINC000420351004 262370590 /nfs/dbraw/zinc/37/05/90/262370590.db2.gz ISLABZLSKZZANC-LBPRGKRZSA-N 1 3 305.378 0.314 20 0 DCADHO Cc1cc(C2CC[NH+](CCC(=O)N3CCNCC3)CC2)[nH]n1 ZINC000420372173 262372006 /nfs/dbraw/zinc/37/20/06/262372006.db2.gz LJACIVGHZONNGQ-UHFFFAOYSA-N 1 3 305.426 0.719 20 0 DCADHO Cc1cc(C2CC[NH+](CCC(=O)N3CCNCC3)CC2)n[nH]1 ZINC000420372173 262372007 /nfs/dbraw/zinc/37/20/07/262372007.db2.gz LJACIVGHZONNGQ-UHFFFAOYSA-N 1 3 305.426 0.719 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000420983151 262388483 /nfs/dbraw/zinc/38/84/83/262388483.db2.gz ZESHJVJGQGESOL-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422115596 262396763 /nfs/dbraw/zinc/39/67/63/262396763.db2.gz JWSIWLXIDSAHHV-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422115596 262396765 /nfs/dbraw/zinc/39/67/65/262396765.db2.gz JWSIWLXIDSAHHV-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000422117871 262396893 /nfs/dbraw/zinc/39/68/93/262396893.db2.gz PJMUVIHBLGCBQJ-HNNXBMFYSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C[C@@](C)(O)CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000418463667 271246292 /nfs/dbraw/zinc/24/62/92/271246292.db2.gz OUWAYKLEEFLGOR-INIZCTEOSA-N 1 3 314.474 0.911 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418717937 271252312 /nfs/dbraw/zinc/25/23/12/271252312.db2.gz TVZDOLTYQSZFPV-NWDGAFQWSA-N 1 3 322.400 0.361 20 0 DCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@H]1CCCCN1CCO ZINC000418731974 271254181 /nfs/dbraw/zinc/25/41/81/271254181.db2.gz JLESFFHRRBTGAU-WJTFHPDPSA-N 1 3 324.469 0.648 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419026833 271265359 /nfs/dbraw/zinc/26/53/59/271265359.db2.gz OABMAQXCWHPSCV-UONOGXRCSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419030224 271267486 /nfs/dbraw/zinc/26/74/86/271267486.db2.gz SSFNQDFVBOZVHF-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419403821 271288830 /nfs/dbraw/zinc/28/88/30/271288830.db2.gz FGDPUAHPUDOMKZ-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419576342 271309301 /nfs/dbraw/zinc/30/93/01/271309301.db2.gz CCBKJMAXUOZJFA-RRFJBIMHSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419675109 271322078 /nfs/dbraw/zinc/32/20/78/271322078.db2.gz KZITXIGWJAEZEI-CQSZACIVSA-N 1 3 324.469 0.612 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419862578 271334471 /nfs/dbraw/zinc/33/44/71/271334471.db2.gz DAJFBCCWMRYUNS-UHFFFAOYSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419932180 271344241 /nfs/dbraw/zinc/34/42/41/271344241.db2.gz FATQYNOWFMEIPG-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000419936856 271345098 /nfs/dbraw/zinc/34/50/98/271345098.db2.gz FELNIEXLXXYHGP-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000419946978 271348089 /nfs/dbraw/zinc/34/80/89/271348089.db2.gz BWBXUXGSQMOGCB-RRFJBIMHSA-N 1 3 324.469 0.419 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000419946978 271348091 /nfs/dbraw/zinc/34/80/91/271348091.db2.gz BWBXUXGSQMOGCB-RRFJBIMHSA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000419951321 271349218 /nfs/dbraw/zinc/34/92/18/271349218.db2.gz NEXDAZJQMNFDEG-MELADBBJSA-N 1 3 312.458 0.195 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000420127585 271358307 /nfs/dbraw/zinc/35/83/07/271358307.db2.gz SBRIKEAJEIOJSP-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420211265 271365299 /nfs/dbraw/zinc/36/52/99/271365299.db2.gz OBCDAHMZXGEZAZ-LXTVHRRPSA-N 1 3 322.453 0.091 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420214292 271365747 /nfs/dbraw/zinc/36/57/47/271365747.db2.gz VGAFTJCWXCSXKT-KBPBESRZSA-N 1 3 312.458 0.276 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000422717505 271380933 /nfs/dbraw/zinc/38/09/33/271380933.db2.gz ORIAYDLRHREQHE-NXHRZFHOSA-N 1 3 324.513 0.617 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000459981602 272022565 /nfs/dbraw/zinc/02/25/65/272022565.db2.gz BQJSUTSVKLLCMA-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459981602 272022568 /nfs/dbraw/zinc/02/25/68/272022568.db2.gz BQJSUTSVKLLCMA-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C34CCC4)C[C@H]2N)cn1 ZINC000529352601 272685024 /nfs/dbraw/zinc/68/50/24/272685024.db2.gz YXOUTUPGUNAMDR-MJBXVCDLSA-N 1 3 318.425 0.141 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000347966737 279096792 /nfs/dbraw/zinc/09/67/92/279096792.db2.gz GTWKECOJFXEDBQ-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCN(C)CCOC)C1 ZINC000105233477 279316058 /nfs/dbraw/zinc/31/60/58/279316058.db2.gz NNXBUTOFTXFPDG-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCN(C)CCOC)C1 ZINC000105233477 279316061 /nfs/dbraw/zinc/31/60/61/279316061.db2.gz NNXBUTOFTXFPDG-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1CO ZINC000190843454 288141715 /nfs/dbraw/zinc/14/17/15/288141715.db2.gz LWXNYBUQPHQFHW-PVAVHDDUSA-N 1 3 319.449 0.966 20 0 DCADHO CC(C)[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)N1CCN(C)CC1 ZINC000416942045 280246718 /nfs/dbraw/zinc/24/67/18/280246718.db2.gz AUGPCLVLIJGNGU-GJZGRUSLSA-N 1 3 311.474 0.295 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)N1CCN(C)CC1 ZINC000132480771 280250938 /nfs/dbraw/zinc/25/09/38/280250938.db2.gz RAFSVYOUYRXNTO-HOTGVXAUSA-N 1 3 312.502 0.961 20 0 DCADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552028122 288261184 /nfs/dbraw/zinc/26/11/84/288261184.db2.gz JIIVDHWNCSSANF-RDJZCZTQSA-N 1 3 309.454 0.824 20 0 DCADHO C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552028122 288261186 /nfs/dbraw/zinc/26/11/86/288261186.db2.gz JIIVDHWNCSSANF-RDJZCZTQSA-N 1 3 309.454 0.824 20 0 DCADHO COCC1(CNC(=O)N2CC[C@H](N3CCCC3)C2)CC[NH2+]CC1 ZINC000562816362 288600594 /nfs/dbraw/zinc/60/05/94/288600594.db2.gz OWZCKKVJCYBPDI-HNNXBMFYSA-N 1 3 324.469 0.882 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 ZINC000563423692 288673214 /nfs/dbraw/zinc/67/32/14/288673214.db2.gz ICNOZJVRXBPIAI-FRRDWIJNSA-N 1 3 301.456 0.803 20 0 DCADHO CC(C)N1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000563706943 288698793 /nfs/dbraw/zinc/69/87/93/288698793.db2.gz HVRZOIAQNNPIPG-UHFFFAOYSA-N 1 3 308.430 0.620 20 0 DCADHO C[C@H]1CC[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)O1 ZINC000563940922 288716488 /nfs/dbraw/zinc/71/64/88/288716488.db2.gz MTCXCZBCOBRDBT-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO C[NH+](C)CCC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000093159709 289108252 /nfs/dbraw/zinc/10/82/52/289108252.db2.gz JVPGAMZKIHFMGU-UHFFFAOYSA-N 1 3 300.403 0.845 20 0 DCADHO C[NH+](C)CCC1CC[NH+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000093159709 289108253 /nfs/dbraw/zinc/10/82/53/289108253.db2.gz JVPGAMZKIHFMGU-UHFFFAOYSA-N 1 3 300.403 0.845 20 0 DCADHO C[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000343634367 298052352 /nfs/dbraw/zinc/05/23/52/298052352.db2.gz WOWWOEUJGVMPGQ-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000583080981 337236972 /nfs/dbraw/zinc/23/69/72/337236972.db2.gz AHLAHMHRWKJMNQ-KEYYUXOJSA-N 1 3 324.469 0.611 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000583320379 337315152 /nfs/dbraw/zinc/31/51/52/337315152.db2.gz RGMWZCYKHDCGLU-MRXNPFEDSA-N 1 3 305.422 0.958 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000583320379 337315153 /nfs/dbraw/zinc/31/51/53/337315153.db2.gz RGMWZCYKHDCGLU-MRXNPFEDSA-N 1 3 305.422 0.958 20 0 DCADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584460077 337344106 /nfs/dbraw/zinc/34/41/06/337344106.db2.gz ZIBMANXOZAYMPF-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584460077 337344107 /nfs/dbraw/zinc/34/41/07/337344107.db2.gz ZIBMANXOZAYMPF-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)[C@]1(CNC(=O)COC2CC[NH2+]CC2)CCSC1 ZINC000584527744 337356145 /nfs/dbraw/zinc/35/61/45/337356145.db2.gz FOICSVBFSAMTEP-AWEZNQCLSA-N 1 3 301.456 0.309 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000580567715 341878178 /nfs/dbraw/zinc/87/81/78/341878178.db2.gz IQWMFRJKAURSQK-GASCZTMLSA-N 1 3 318.421 0.332 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN(C)CCOC ZINC000111493464 521600767 /nfs/dbraw/zinc/60/07/67/521600767.db2.gz YSGYQTCXQUNLGQ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCN(C)CCOC ZINC000111493464 521600774 /nfs/dbraw/zinc/60/07/74/521600774.db2.gz YSGYQTCXQUNLGQ-AWEZNQCLSA-N 1 3 300.447 0.738 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001570159715 1161458148 /nfs/dbraw/zinc/45/81/48/1161458148.db2.gz HQCPUSNTJIYFOX-UONOGXRCSA-N 1 3 303.422 0.893 20 0 DCADHO C[NH+](C)CCn1c2cc(NC(=O)C3(N)CC3)ccc2oc1=O ZINC000236989780 521818593 /nfs/dbraw/zinc/81/85/93/521818593.db2.gz NBXDXDLLMDPJAL-UHFFFAOYSA-N 1 3 304.350 0.586 20 0 DCADHO CC[C@@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N(C)C ZINC000155644036 521853878 /nfs/dbraw/zinc/85/38/78/521853878.db2.gz VKKBNFSFBFNPCP-AWEZNQCLSA-N 1 3 308.426 0.978 20 0 DCADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CCN(C)C ZINC000410799815 528444731 /nfs/dbraw/zinc/44/47/31/528444731.db2.gz GBCCCVXCGGAPDS-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000332009487 529007342 /nfs/dbraw/zinc/00/73/42/529007342.db2.gz PANWAEATUNBWMG-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCN(c2ncc(CN[C@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000414935926 546236290 /nfs/dbraw/zinc/23/62/90/546236290.db2.gz YYDJYTXVICYLII-CABCVRRESA-N 1 3 304.442 0.588 20 0 DCADHO CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254631 546373568 /nfs/dbraw/zinc/37/35/68/546373568.db2.gz QYCHZMNYBIDQSI-HUUCEWRRSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254631 546373573 /nfs/dbraw/zinc/37/35/73/546373573.db2.gz QYCHZMNYBIDQSI-HUUCEWRRSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H](O)C1CC1 ZINC000665760118 546394912 /nfs/dbraw/zinc/39/49/12/546394912.db2.gz ZOUJBXUPZXGLAT-DZGCQCFKSA-N 1 3 314.474 0.671 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H](O)C1CC1 ZINC000665760118 546394914 /nfs/dbraw/zinc/39/49/14/546394914.db2.gz ZOUJBXUPZXGLAT-DZGCQCFKSA-N 1 3 314.474 0.671 20 0 DCADHO CN(CC[NH+]1CCCC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666972528 546536219 /nfs/dbraw/zinc/53/62/19/546536219.db2.gz ADBVTIGOXHLQDO-MRXNPFEDSA-N 1 3 324.469 0.977 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000667812123 546656294 /nfs/dbraw/zinc/65/62/94/546656294.db2.gz FBAQANGJDRVXPQ-WCVJEAGWSA-N 1 3 309.454 0.753 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000667812123 546656300 /nfs/dbraw/zinc/65/63/00/546656300.db2.gz FBAQANGJDRVXPQ-WCVJEAGWSA-N 1 3 309.454 0.753 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)NC/C=C\C[NH3+])c1 ZINC000669139247 546927908 /nfs/dbraw/zinc/92/79/08/546927908.db2.gz ZYRZAWFVUMHKKU-ARJAWSKDSA-N 1 3 306.410 0.941 20 0 DCADHO CN1CCC[C@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000669402941 546967622 /nfs/dbraw/zinc/96/76/22/546967622.db2.gz BGOPXBUTISKPQP-HNNXBMFYSA-N 1 3 305.426 0.955 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CCO1 ZINC000669407325 546968040 /nfs/dbraw/zinc/96/80/40/546968040.db2.gz MOYLSNSJFWZSLZ-LXTVHRRPSA-N 1 3 312.458 0.864 20 0 DCADHO CC[C@@H]1CN(C(=O)NC[C@H]2CCCN2CCOC)CC[C@H]1[NH3+] ZINC000669473255 546975345 /nfs/dbraw/zinc/97/53/45/546975345.db2.gz ZLZMXTSTUHVGKZ-RBSFLKMASA-N 1 3 312.458 0.866 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[NH+](CC)CC ZINC000670471385 547100325 /nfs/dbraw/zinc/10/03/25/547100325.db2.gz XQUUJWGNGLVORP-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673522185 547496193 /nfs/dbraw/zinc/49/61/93/547496193.db2.gz DSDZHKMHIYKGLE-IRXDYDNUSA-N 1 3 319.449 0.937 20 0 DCADHO CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673522185 547496197 /nfs/dbraw/zinc/49/61/97/547496197.db2.gz DSDZHKMHIYKGLE-IRXDYDNUSA-N 1 3 319.449 0.937 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN(C)CCOC ZINC000675186814 547667639 /nfs/dbraw/zinc/66/76/39/547667639.db2.gz WUWUDNJFJAJNMC-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C)C1=O ZINC000681514964 548256089 /nfs/dbraw/zinc/25/60/89/548256089.db2.gz HPCICKBUUIOQLF-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCN(C)C1=O ZINC000681514964 548256094 /nfs/dbraw/zinc/25/60/94/548256094.db2.gz HPCICKBUUIOQLF-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CCOc1cnc(C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000681725086 548285449 /nfs/dbraw/zinc/28/54/49/548285449.db2.gz IXTDXZBJZKWLDO-UHFFFAOYSA-N 1 3 309.414 0.441 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C1 ZINC000683851708 548524539 /nfs/dbraw/zinc/52/45/39/548524539.db2.gz SCGHUKKAXHNGKG-IAGOWNOFSA-N 1 3 320.481 0.852 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C1 ZINC000683851708 548524544 /nfs/dbraw/zinc/52/45/44/548524544.db2.gz SCGHUKKAXHNGKG-IAGOWNOFSA-N 1 3 320.481 0.852 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978230440 660502983 /nfs/dbraw/zinc/50/29/83/660502983.db2.gz JSRXJKHLLMDEII-LVQVYYBASA-N 1 3 309.454 0.537 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000978230440 660502984 /nfs/dbraw/zinc/50/29/84/660502984.db2.gz JSRXJKHLLMDEII-LVQVYYBASA-N 1 3 309.454 0.537 20 0 DCADHO CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978563790 660562584 /nfs/dbraw/zinc/56/25/84/660562584.db2.gz UOKAGHLXQSGWLT-QVCCVMCISA-N 1 3 305.422 0.164 20 0 DCADHO CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978563790 660562585 /nfs/dbraw/zinc/56/25/85/660562585.db2.gz UOKAGHLXQSGWLT-QVCCVMCISA-N 1 3 305.422 0.164 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000978803463 660606743 /nfs/dbraw/zinc/60/67/43/660606743.db2.gz YXMHJXJDBVIRSH-JONQDZQNSA-N 1 3 309.454 0.536 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000978803463 660606745 /nfs/dbraw/zinc/60/67/45/660606745.db2.gz YXMHJXJDBVIRSH-JONQDZQNSA-N 1 3 309.454 0.536 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@H]([N@H+](C)CCF)C1 ZINC001027686062 660619920 /nfs/dbraw/zinc/61/99/20/660619920.db2.gz SCCYUXHXIBNACZ-GJZGRUSLSA-N 1 3 315.433 0.847 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)N1CCC[C@H]([N@@H+](C)CCF)C1 ZINC001027686062 660619921 /nfs/dbraw/zinc/61/99/21/660619921.db2.gz SCCYUXHXIBNACZ-GJZGRUSLSA-N 1 3 315.433 0.847 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ccccn4)C[C@H]32)C1 ZINC000979068294 660657141 /nfs/dbraw/zinc/65/71/41/660657141.db2.gz HSMYGINMMALZLZ-DZUCGIPZSA-N 1 3 314.433 0.827 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ccccn4)C[C@H]32)C1 ZINC000979068294 660657142 /nfs/dbraw/zinc/65/71/42/660657142.db2.gz HSMYGINMMALZLZ-DZUCGIPZSA-N 1 3 314.433 0.827 20 0 DCADHO C[C@H](O)CN1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889505 660888980 /nfs/dbraw/zinc/88/89/80/660888980.db2.gz ASVZFBVVLXJYEA-UONOGXRCSA-N 1 3 323.441 0.020 20 0 DCADHO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981647279 661189588 /nfs/dbraw/zinc/18/95/88/661189588.db2.gz XRFMFEWBCWAGHT-CKDBGZEDSA-N 1 3 307.438 0.792 20 0 DCADHO CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000981647279 661189590 /nfs/dbraw/zinc/18/95/90/661189590.db2.gz XRFMFEWBCWAGHT-CKDBGZEDSA-N 1 3 307.438 0.792 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812820 661222566 /nfs/dbraw/zinc/22/25/66/661222566.db2.gz VVIULBWTWUSQPC-HIFRSBDPSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812820 661222567 /nfs/dbraw/zinc/22/25/67/661222567.db2.gz VVIULBWTWUSQPC-HIFRSBDPSA-N 1 3 309.454 0.632 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCCN2CCO)cc1 ZINC001028137511 661232147 /nfs/dbraw/zinc/23/21/47/661232147.db2.gz LNDFRABZDWSHRG-QGZVFWFLSA-N 1 3 319.449 0.977 20 0 DCADHO O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000982062751 661285691 /nfs/dbraw/zinc/28/56/91/661285691.db2.gz DEQUTPBIJUBUSI-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC2(C1)CCCN(CCO)C2 ZINC000982062751 661285692 /nfs/dbraw/zinc/28/56/92/661285692.db2.gz DEQUTPBIJUBUSI-HOTGVXAUSA-N 1 3 321.465 0.920 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023086718 657490888 /nfs/dbraw/zinc/49/08/88/657490888.db2.gz VHHUUIUTNTYNIX-MELADBBJSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023086718 657490891 /nfs/dbraw/zinc/49/08/91/657490891.db2.gz VHHUUIUTNTYNIX-MELADBBJSA-N 1 3 303.410 0.474 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001020407080 657531396 /nfs/dbraw/zinc/53/13/96/657531396.db2.gz NNMWAWAITQMYJE-BFKWJSRZSA-N 1 3 319.449 0.887 20 0 DCADHO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020407299 657531957 /nfs/dbraw/zinc/53/19/57/657531957.db2.gz XOYCVESGEFQXBK-VXSWHIBVSA-N 1 3 307.438 0.742 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000998721107 665510500 /nfs/dbraw/zinc/51/05/00/665510500.db2.gz LMHWFIOKJWIRAW-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO O=C(c1[nH]nc2c1CNCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000446376303 665512512 /nfs/dbraw/zinc/51/25/12/665512512.db2.gz IDXUAKMOLGIJSL-LBPRGKRZSA-N 1 3 303.410 0.756 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970711918 657814977 /nfs/dbraw/zinc/81/49/77/657814977.db2.gz IQDXIKMLIIBXKK-LSDHHAIUSA-N 1 3 303.410 0.427 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970711918 657814984 /nfs/dbraw/zinc/81/49/84/657814984.db2.gz IQDXIKMLIIBXKK-LSDHHAIUSA-N 1 3 303.410 0.427 20 0 DCADHO C[C@@H](O)CN1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970714541 657819723 /nfs/dbraw/zinc/81/97/23/657819723.db2.gz RCQZNGUIVZHZJN-KGLIPLIRSA-N 1 3 323.481 0.926 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000892004893 658097808 /nfs/dbraw/zinc/09/78/08/658097808.db2.gz JIVUGJQYMDLJIO-CQSZACIVSA-N 1 3 309.458 0.160 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)C1 ZINC001020588903 658159333 /nfs/dbraw/zinc/15/93/33/658159333.db2.gz PYYHVRLKNYEUTD-TUVASFSCSA-N 1 3 322.453 0.186 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020588798 658159801 /nfs/dbraw/zinc/15/98/01/658159801.db2.gz MTCOQWLNNZQLAD-RCBQFDQVSA-N 1 3 319.453 0.807 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001020586597 658162552 /nfs/dbraw/zinc/16/25/52/658162552.db2.gz SIVJKIMBIMZJQF-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO Cc1nc([C@H](C)N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000969815460 658177920 /nfs/dbraw/zinc/17/79/20/658177920.db2.gz UJDWKGFBZROYMR-SMDDNHRTSA-N 1 3 320.441 0.706 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1)N(C)C ZINC000969985043 658322720 /nfs/dbraw/zinc/32/27/20/658322720.db2.gz AIOWFVMFDBIHQQ-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001022712540 658357748 /nfs/dbraw/zinc/35/77/48/658357748.db2.gz STPAOWAHRGHKKS-RWMBFGLXSA-N 1 3 306.414 0.036 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001022713023 658359348 /nfs/dbraw/zinc/35/93/48/658359348.db2.gz HHPGFLLMTQLTCH-AEGPPILISA-N 1 3 317.437 0.864 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001022713023 658359353 /nfs/dbraw/zinc/35/93/53/658359353.db2.gz HHPGFLLMTQLTCH-AEGPPILISA-N 1 3 317.437 0.864 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022716343 658371046 /nfs/dbraw/zinc/37/10/46/658371046.db2.gz VCVOIQSDSXARQT-WCFLWFBJSA-N 1 3 323.466 0.925 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001022716343 658371055 /nfs/dbraw/zinc/37/10/55/658371055.db2.gz VCVOIQSDSXARQT-WCFLWFBJSA-N 1 3 323.466 0.925 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)C1 ZINC001022717481 658377664 /nfs/dbraw/zinc/37/76/64/658377664.db2.gz YIJLFCLJSOHOPC-XUWVNRHRSA-N 1 3 309.454 0.992 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001024176814 658506418 /nfs/dbraw/zinc/50/64/18/658506418.db2.gz GGBIKCDVDWBSDN-ZDUSSCGKSA-N 1 3 316.409 0.714 20 0 DCADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022809683 658603219 /nfs/dbraw/zinc/60/32/19/658603219.db2.gz PIQHANDLWPBEID-OKILXGFUSA-N 1 3 320.441 0.284 20 0 DCADHO COCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438926 658624075 /nfs/dbraw/zinc/62/40/75/658624075.db2.gz ZVEBWZWIRCOZBD-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001039127511 658636731 /nfs/dbraw/zinc/63/67/31/658636731.db2.gz QKUFMLRUAVYWMF-LSDHHAIUSA-N 1 3 322.453 0.126 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001039127511 658636736 /nfs/dbraw/zinc/63/67/36/658636736.db2.gz QKUFMLRUAVYWMF-LSDHHAIUSA-N 1 3 322.453 0.126 20 0 DCADHO CC(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000970171342 658688948 /nfs/dbraw/zinc/68/89/48/658688948.db2.gz YTMGWDSTBPLVGE-DFFOAJLQSA-N 1 3 321.465 0.942 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021049964 658730518 /nfs/dbraw/zinc/73/05/18/658730518.db2.gz ZVKSXDBXKVBQIF-IJLUTSLNSA-N 1 3 309.439 0.535 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021049964 658730521 /nfs/dbraw/zinc/73/05/21/658730521.db2.gz ZVKSXDBXKVBQIF-IJLUTSLNSA-N 1 3 309.439 0.535 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001021093793 658752664 /nfs/dbraw/zinc/75/26/64/658752664.db2.gz ILCKFIJRHACMJD-AJNGGQMLSA-N 1 3 322.453 0.328 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001021096449 658765090 /nfs/dbraw/zinc/76/50/90/658765090.db2.gz TWLUVJNDJYUJIO-YDHLFZDLSA-N 1 3 320.441 0.426 20 0 DCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2 ZINC000891514678 658903466 /nfs/dbraw/zinc/90/34/66/658903466.db2.gz WVMLULULDXLUPT-RZLSGREXSA-N 1 3 308.426 0.101 20 0 DCADHO C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000891523165 658907264 /nfs/dbraw/zinc/90/72/64/658907264.db2.gz AWUQVIQLBOBDLF-HUUCEWRRSA-N 1 3 310.442 0.321 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027170073 659050333 /nfs/dbraw/zinc/05/03/33/659050333.db2.gz BPPNJQQDKVCXSY-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027170073 659050340 /nfs/dbraw/zinc/05/03/40/659050340.db2.gz BPPNJQQDKVCXSY-HUUCEWRRSA-N 1 3 319.453 0.700 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)[nH]1 ZINC001027171308 659058500 /nfs/dbraw/zinc/05/85/00/659058500.db2.gz XMTCTZHCXVZTGT-KGLIPLIRSA-N 1 3 320.441 0.393 20 0 DCADHO Cc1nnc(CNC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC001027171308 659058505 /nfs/dbraw/zinc/05/85/05/659058505.db2.gz XMTCTZHCXVZTGT-KGLIPLIRSA-N 1 3 320.441 0.393 20 0 DCADHO C[C@H](CN1C(=O)N[C@@H](CN2CCCCC2)C1=O)[N@H+](C)C1CC1 ZINC000924582689 659086488 /nfs/dbraw/zinc/08/64/88/659086488.db2.gz NFWAGQOFJPGYKR-OCCSQVGLSA-N 1 3 308.426 0.875 20 0 DCADHO C[C@H](CN1C(=O)N[C@@H](CN2CCCCC2)C1=O)[N@@H+](C)C1CC1 ZINC000924582689 659086491 /nfs/dbraw/zinc/08/64/91/659086491.db2.gz NFWAGQOFJPGYKR-OCCSQVGLSA-N 1 3 308.426 0.875 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001027215693 659086492 /nfs/dbraw/zinc/08/64/92/659086492.db2.gz LLETZXNLNQNLLL-ZIAGYGMSSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001027215693 659086497 /nfs/dbraw/zinc/08/64/97/659086497.db2.gz LLETZXNLNQNLLL-ZIAGYGMSSA-N 1 3 306.410 0.873 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000925581302 659286511 /nfs/dbraw/zinc/28/65/11/659286511.db2.gz ROEKHRGHMDBAGS-SMDDNHRTSA-N 1 3 301.456 0.673 20 0 DCADHO O=C(NCC1C[NH+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031857494 665661744 /nfs/dbraw/zinc/66/17/44/665661744.db2.gz WMZKNWYNNPUZPF-GNHJJJEISA-N 1 3 305.422 0.308 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999681488 665668746 /nfs/dbraw/zinc/66/87/46/665668746.db2.gz HHSPDECWNPYQQA-HSBZDZAISA-N 1 3 320.441 0.236 20 0 DCADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999681488 665668748 /nfs/dbraw/zinc/66/87/48/665668748.db2.gz HHSPDECWNPYQQA-HSBZDZAISA-N 1 3 320.441 0.236 20 0 DCADHO CC(C)(C(=O)NC1CCC([NH2+]CC(N)=O)CC1)N1CCCC1 ZINC001026540415 659385516 /nfs/dbraw/zinc/38/55/16/659385516.db2.gz LLHHKDNDPQZRIN-UHFFFAOYSA-N 1 3 310.442 0.363 20 0 DCADHO CCN1CCCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892768631 659440913 /nfs/dbraw/zinc/44/09/13/659440913.db2.gz LLAVMFKDGUDXKD-OAHLLOKOSA-N 1 3 324.469 0.882 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)CCO1 ZINC000892788768 659457699 /nfs/dbraw/zinc/45/76/99/659457699.db2.gz IGSRFJQPVXRMGF-MAZHCROVSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1cnc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001026733958 659490786 /nfs/dbraw/zinc/49/07/86/659490786.db2.gz KJIGHDPNCKBUPQ-ZBFHGGJFSA-N 1 3 317.437 0.817 20 0 DCADHO CCC1([NH3+])CCN(C(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000892931569 659513758 /nfs/dbraw/zinc/51/37/58/659513758.db2.gz BZUYWEQCOZIAKT-AWEZNQCLSA-N 1 3 312.458 0.746 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001019774918 659613229 /nfs/dbraw/zinc/61/32/29/659613229.db2.gz NJJBQNIMSCISNV-KRWDZBQOSA-N 1 3 317.433 0.965 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1)C1CC1 ZINC001026886676 659627056 /nfs/dbraw/zinc/62/70/56/659627056.db2.gz DEHNMMKIIZXWLV-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001026921035 659639722 /nfs/dbraw/zinc/63/97/22/659639722.db2.gz LBNJOHGJEYGHJV-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1)N(C)C ZINC001027069653 659755528 /nfs/dbraw/zinc/75/55/28/659755528.db2.gz YKPRCEPQKIXDQU-ZFWWWQNUSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cnnn2C)C1)N(C)C ZINC001027069061 659756208 /nfs/dbraw/zinc/75/62/08/659756208.db2.gz KBOJFEQGJVMPIU-OCCSQVGLSA-N 1 3 308.430 0.093 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001027063077 659758284 /nfs/dbraw/zinc/75/82/84/659758284.db2.gz GXRAXWJLGVWTFZ-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CNCc2cn(C)nn2)C1 ZINC001027063077 659758289 /nfs/dbraw/zinc/75/82/89/659758289.db2.gz GXRAXWJLGVWTFZ-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]32)C1 ZINC001026043647 659760146 /nfs/dbraw/zinc/76/01/46/659760146.db2.gz YCDGOVNAHHLGEO-JLOCXQCDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@H]32)C1 ZINC001026043647 659760147 /nfs/dbraw/zinc/76/01/47/659760147.db2.gz YCDGOVNAHHLGEO-JLOCXQCDSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]32)C1 ZINC001026043620 659760621 /nfs/dbraw/zinc/76/06/21/659760621.db2.gz UZECFMYPMDFTCO-IMSKVBIZSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]32)C1 ZINC001026043620 659760626 /nfs/dbraw/zinc/76/06/26/659760626.db2.gz UZECFMYPMDFTCO-IMSKVBIZSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001027063721 659761271 /nfs/dbraw/zinc/76/12/71/659761271.db2.gz QKTGYHWEMXAPDI-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2ccn(C)n2)C1 ZINC001027063721 659761278 /nfs/dbraw/zinc/76/12/78/659761278.db2.gz QKTGYHWEMXAPDI-HUUCEWRRSA-N 1 3 319.453 0.843 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC001027091038 659797460 /nfs/dbraw/zinc/79/74/60/659797460.db2.gz CFZQCBUCBXIRCC-DZGCQCFKSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)(C(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC000999875981 665706074 /nfs/dbraw/zinc/70/60/74/665706074.db2.gz JWGVTWNNEKZKDU-ZIAGYGMSSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999976199 665713700 /nfs/dbraw/zinc/71/37/00/665713700.db2.gz WHYPTHFAEJFXPA-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999976199 665713702 /nfs/dbraw/zinc/71/37/02/665713702.db2.gz WHYPTHFAEJFXPA-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC001000198191 665773353 /nfs/dbraw/zinc/77/33/53/665773353.db2.gz KXTFNCXWGRQNQH-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1[C@@H]1CCN(C2CC2)C1 ZINC000924888735 661618792 /nfs/dbraw/zinc/61/87/92/661618792.db2.gz XOMHVJXCSJRTOG-ZIAGYGMSSA-N 1 3 306.410 0.629 20 0 DCADHO CN(CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC000940529274 665786274 /nfs/dbraw/zinc/78/62/74/665786274.db2.gz YWBGZOQBTCXQGT-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC000940529274 665786276 /nfs/dbraw/zinc/78/62/76/665786276.db2.gz YWBGZOQBTCXQGT-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028779079 661821607 /nfs/dbraw/zinc/82/16/07/661821607.db2.gz UHTZLLBNGQBDNI-OCCSQVGLSA-N 1 3 310.442 0.030 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(Cc3cccnc3)C2)C1 ZINC001028987096 661921948 /nfs/dbraw/zinc/92/19/48/661921948.db2.gz VIBWOOUGWVQWSP-HOTGVXAUSA-N 1 3 302.422 0.971 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(Cc3cccnc3)C2)C1 ZINC001028987096 661921950 /nfs/dbraw/zinc/92/19/50/661921950.db2.gz VIBWOOUGWVQWSP-HOTGVXAUSA-N 1 3 302.422 0.971 20 0 DCADHO CCOC(=O)c1cc(CNCCCN2CCC[N@H+](C)CC2)on1 ZINC000894376784 661937941 /nfs/dbraw/zinc/93/79/41/661937941.db2.gz VOHIUYAGWSFCHA-UHFFFAOYSA-N 1 3 324.425 0.969 20 0 DCADHO CCOC(=O)c1cc(CNCCCN2CCC[N@@H+](C)CC2)on1 ZINC000894376784 661937942 /nfs/dbraw/zinc/93/79/42/661937942.db2.gz VOHIUYAGWSFCHA-UHFFFAOYSA-N 1 3 324.425 0.969 20 0 DCADHO O=C(CNC1CCS(=O)CC1)NCC[NH+]1CCCCCC1 ZINC000894601781 661986970 /nfs/dbraw/zinc/98/69/70/661986970.db2.gz YNSWLAJNHSMJJB-UHFFFAOYSA-N 1 3 315.483 0.479 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001000311470 665820156 /nfs/dbraw/zinc/82/01/56/665820156.db2.gz IPCZRYDKKOLPOK-CQSZACIVSA-N 1 3 306.410 0.959 20 0 DCADHO CC1=NO[C@@H](CNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000895308211 662165057 /nfs/dbraw/zinc/16/50/57/662165057.db2.gz ZATACNGCUUZQBF-MRXNPFEDSA-N 1 3 310.442 0.537 20 0 DCADHO COc1cnc(NC[C@@H]2CC[N@@H+]2C)nc1NC[C@@H]1CCN1C ZINC000895770564 662214103 /nfs/dbraw/zinc/21/41/03/662214103.db2.gz PVWZVDOVUMHFRU-RYUDHWBXSA-N 1 3 306.414 0.717 20 0 DCADHO COc1cnc(NC[C@@H]2CC[N@H+]2C)nc1NC[C@@H]1CCN1C ZINC000895770564 662214104 /nfs/dbraw/zinc/21/41/04/662214104.db2.gz PVWZVDOVUMHFRU-RYUDHWBXSA-N 1 3 306.414 0.717 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC000984803788 662316982 /nfs/dbraw/zinc/31/69/82/662316982.db2.gz JOOGXCPGKHEQAI-ZQDZILKHSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNCc3ccn(C)n3)C2)C1 ZINC000984802477 662317950 /nfs/dbraw/zinc/31/79/50/662317950.db2.gz BDEZYVWITMGJBH-IIAWOOMASA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNCc3ccn(C)n3)C2)C1 ZINC000984802477 662317951 /nfs/dbraw/zinc/31/79/51/662317951.db2.gz BDEZYVWITMGJBH-IIAWOOMASA-N 1 3 319.453 0.746 20 0 DCADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000985117330 662369324 /nfs/dbraw/zinc/36/93/24/662369324.db2.gz SXYDVMOMRISNKY-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cnc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000985117330 662369327 /nfs/dbraw/zinc/36/93/27/662369327.db2.gz SXYDVMOMRISNKY-RBSFLKMASA-N 1 3 317.437 0.721 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985426155 662439835 /nfs/dbraw/zinc/43/98/35/662439835.db2.gz LZKVOXQATPBEIY-HIFRSBDPSA-N 1 3 324.469 0.656 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985426155 662439836 /nfs/dbraw/zinc/43/98/36/662439836.db2.gz LZKVOXQATPBEIY-HIFRSBDPSA-N 1 3 324.469 0.656 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1)C1CC1 ZINC000985470150 662463535 /nfs/dbraw/zinc/46/35/35/662463535.db2.gz MEHZDHPFOZJRDK-GJZGRUSLSA-N 1 3 322.453 0.138 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1)C1CC1 ZINC000985470150 662463536 /nfs/dbraw/zinc/46/35/36/662463536.db2.gz MEHZDHPFOZJRDK-GJZGRUSLSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985613797 662492684 /nfs/dbraw/zinc/49/26/84/662492684.db2.gz DIWHSIFOORHGRY-GFCCVEGCSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986829991 662623086 /nfs/dbraw/zinc/62/30/86/662623086.db2.gz SWSLYGKAFRIZIK-CZUORRHYSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569302 662688268 /nfs/dbraw/zinc/68/82/68/662688268.db2.gz XFRRNPSKHACHJF-XJKSGUPXSA-N 1 3 305.422 0.933 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC001000691501 665910793 /nfs/dbraw/zinc/91/07/93/665910793.db2.gz ZJXPQGQRMXWLLU-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC001000691501 665910795 /nfs/dbraw/zinc/91/07/95/665910795.db2.gz ZJXPQGQRMXWLLU-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000989492002 662953526 /nfs/dbraw/zinc/95/35/26/662953526.db2.gz LATCASFRIGEZQI-DOMZBBRYSA-N 1 3 316.409 0.507 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000929169670 662970605 /nfs/dbraw/zinc/97/06/05/662970605.db2.gz NQDAXGDMPJEVHI-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)CN1C(=O)CN1CCCC1 ZINC000989796551 662980118 /nfs/dbraw/zinc/98/01/18/662980118.db2.gz NPBYPRDJOWQBEK-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990245319 663023087 /nfs/dbraw/zinc/02/30/87/663023087.db2.gz UFFTZXNNODZWRR-HNNXBMFYSA-N 1 3 305.426 0.595 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990275937 663027730 /nfs/dbraw/zinc/02/77/30/663027730.db2.gz FETHATRKKPLTCS-MRXNPFEDSA-N 1 3 319.453 0.903 20 0 DCADHO C[C@@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[N@H+](C)Cc1ccccc1 ZINC000924627914 663048915 /nfs/dbraw/zinc/04/89/15/663048915.db2.gz FRSDLGYTSGQYHN-ZFWWWQNUSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@@H](CN1C(=O)N[C@@H](CN(C)C)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000924627914 663048917 /nfs/dbraw/zinc/04/89/17/663048917.db2.gz FRSDLGYTSGQYHN-ZFWWWQNUSA-N 1 3 318.421 0.989 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccnn1CCN(C)C ZINC000900818770 663284627 /nfs/dbraw/zinc/28/46/27/663284627.db2.gz HQFZGRODMOTSFB-KGLIPLIRSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnn1CCN(C)C ZINC000900818770 663284628 /nfs/dbraw/zinc/28/46/28/663284628.db2.gz HQFZGRODMOTSFB-KGLIPLIRSA-N 1 3 307.442 0.857 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000903479860 663456436 /nfs/dbraw/zinc/45/64/36/663456436.db2.gz YCCONMWEQKSLGF-UUAJXVIYSA-N 1 3 323.481 0.974 20 0 DCADHO OCC[C@H]1CSCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732032 663476357 /nfs/dbraw/zinc/47/63/57/663476357.db2.gz BZAMQKRSHXQKON-KBPBESRZSA-N 1 3 300.468 0.945 20 0 DCADHO O[C@@H]1CCC[C@H]1N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903735731 663477935 /nfs/dbraw/zinc/47/79/35/663477935.db2.gz DBLUAQQYWTZVDZ-BRWVUGGUSA-N 1 3 323.481 0.676 20 0 DCADHO CNC(=O)NC[C@@H]1CCCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903777696 663483708 /nfs/dbraw/zinc/48/37/08/663483708.db2.gz CKRQFACSBXJRGT-LSDHHAIUSA-N 1 3 324.469 0.929 20 0 DCADHO CC[C@H](CO)N1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903897680 663493764 /nfs/dbraw/zinc/49/37/64/663493764.db2.gz IIMAUDUKVCXSNJ-NVXWUHKLSA-N 1 3 323.485 0.234 20 0 DCADHO COC(=O)[C@@]1(C)CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903897948 663493775 /nfs/dbraw/zinc/49/37/75/663493775.db2.gz KSQNDJALRJRZTF-CJNGLKHVSA-N 1 3 308.426 0.731 20 0 DCADHO CS(=O)(=O)N1CC[C@@H](NCc2cccc3c2CC[NH2+]C3)C1 ZINC000903932197 663496622 /nfs/dbraw/zinc/49/66/22/663496622.db2.gz OCDUZHQJYTYWPD-CQSZACIVSA-N 1 3 309.435 0.456 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc(N(C)C)nc1)C2 ZINC000903978278 663499120 /nfs/dbraw/zinc/49/91/20/663499120.db2.gz DBYWLDHPDGFVMQ-ZENOOKHLSA-N 1 3 319.409 0.255 20 0 DCADHO Cn1ncc2c1ncnc2N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904305631 663507670 /nfs/dbraw/zinc/50/76/70/663507670.db2.gz RCOOUPLPZHFXEQ-TXEJJXNPSA-N 1 3 301.398 0.223 20 0 DCADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@@H](O)CNC ZINC000905354670 663548276 /nfs/dbraw/zinc/54/82/76/663548276.db2.gz OOKNZSNOZGAOSK-KCQAQPDRSA-N 1 3 302.415 0.031 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001079632 665988572 /nfs/dbraw/zinc/98/85/72/665988572.db2.gz IRZNPHKFUIJRRO-INIZCTEOSA-N 1 3 309.454 0.849 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001079632 665988574 /nfs/dbraw/zinc/98/85/74/665988574.db2.gz IRZNPHKFUIJRRO-INIZCTEOSA-N 1 3 309.454 0.849 20 0 DCADHO C[C@@H](NC(=O)c1ccnn1CCN(C)C)C1=CC[N@H+](C)CC1 ZINC000907286712 663683891 /nfs/dbraw/zinc/68/38/91/663683891.db2.gz YQKBOAWIQAWADI-CYBMUJFWSA-N 1 3 305.426 0.825 20 0 DCADHO C[C@@H](NC(=O)c1ccnn1CCN(C)C)C1=CC[N@@H+](C)CC1 ZINC000907286712 663683893 /nfs/dbraw/zinc/68/38/93/663683893.db2.gz YQKBOAWIQAWADI-CYBMUJFWSA-N 1 3 305.426 0.825 20 0 DCADHO CC(C)[NH+]1CCN(CCC(=O)N2CCC3(CN(C)C3)C2)CC1 ZINC000907763023 663715753 /nfs/dbraw/zinc/71/57/53/663715753.db2.gz HVIMNYHLSWLJPV-UHFFFAOYSA-N 1 3 308.470 0.567 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000908117264 663734566 /nfs/dbraw/zinc/73/45/66/663734566.db2.gz HBPRMIPVSLLXOK-AWEZNQCLSA-N 1 3 323.441 0.021 20 0 DCADHO CN(CCC(=O)N[C@H](CO)CN1CCCC1)c1cc[nH+]cc1 ZINC000908202198 663742785 /nfs/dbraw/zinc/74/27/85/663742785.db2.gz JCUYVIJNKXVLGE-AWEZNQCLSA-N 1 3 306.410 0.481 20 0 DCADHO C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000908540165 663760457 /nfs/dbraw/zinc/76/04/57/663760457.db2.gz GNFSWWWEASFSTO-AWEZNQCLSA-N 1 3 323.441 0.021 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)N1CCCCC1 ZINC000910946667 663961653 /nfs/dbraw/zinc/96/16/53/663961653.db2.gz OTNGCDZEKGAQHD-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911028454 663972005 /nfs/dbraw/zinc/97/20/05/663972005.db2.gz IMLQSHAXCMYRNJ-AAVRWANBSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911054830 663973054 /nfs/dbraw/zinc/97/30/54/663973054.db2.gz LZEVMVOOTGMZHY-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911055487 663973178 /nfs/dbraw/zinc/97/31/78/663973178.db2.gz PROBYLDRFFWYAT-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911055788 663973362 /nfs/dbraw/zinc/97/33/62/663973362.db2.gz PQUNEXIMNQLNKE-BYNSBNAKSA-N 1 3 322.453 0.376 20 0 DCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911030400 663973808 /nfs/dbraw/zinc/97/38/08/663973808.db2.gz VRYAEVUOKASXIJ-XGUBFFRZSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911029315 663973823 /nfs/dbraw/zinc/97/38/23/663973823.db2.gz MHQYIBDXTSZYKV-VYDRJRHOSA-N 1 3 322.453 0.232 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911161276 663995305 /nfs/dbraw/zinc/99/53/05/663995305.db2.gz KOKCMUBPCQLICO-LSDHHAIUSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911205287 664004857 /nfs/dbraw/zinc/00/48/57/664004857.db2.gz BHXYMJDSIMZNRN-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NC2CCC([NH3+])CC2)C1 ZINC000911280795 664015721 /nfs/dbraw/zinc/01/57/21/664015721.db2.gz LQUZOUQSFFGERI-UHFFFAOYSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911332757 664029903 /nfs/dbraw/zinc/02/99/03/664029903.db2.gz OOGUKJVUKZOKMX-ZIAGYGMSSA-N 1 3 324.469 0.419 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000911517711 664073398 /nfs/dbraw/zinc/07/33/98/664073398.db2.gz LARZZFAFQJQPKP-HUUCEWRRSA-N 1 3 318.421 0.137 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NC[C@@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000911705675 664103764 /nfs/dbraw/zinc/10/37/64/664103764.db2.gz AHPSPBCHEMAELT-BXUZGUMPSA-N 1 3 316.405 0.628 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913275152 664296136 /nfs/dbraw/zinc/29/61/36/664296136.db2.gz SSXURNHEXFAGST-IAGOWNOFSA-N 1 3 319.453 0.859 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991724270 664532297 /nfs/dbraw/zinc/53/22/97/664532297.db2.gz UGRKTDDBIXFBFM-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991724270 664532298 /nfs/dbraw/zinc/53/22/98/664532298.db2.gz UGRKTDDBIXFBFM-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958706 664638338 /nfs/dbraw/zinc/63/83/38/664638338.db2.gz WMDVGILKOPUKLA-CSNMLKFASA-N 1 3 319.449 0.983 20 0 DCADHO CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958706 664638339 /nfs/dbraw/zinc/63/83/39/664638339.db2.gz WMDVGILKOPUKLA-CSNMLKFASA-N 1 3 319.449 0.983 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000914315438 664771028 /nfs/dbraw/zinc/77/10/28/664771028.db2.gz SFXMNIGKENESBM-DZGCQCFKSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000914315438 664771030 /nfs/dbraw/zinc/77/10/30/664771030.db2.gz SFXMNIGKENESBM-DZGCQCFKSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CC[C@H]([NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000998120908 665403159 /nfs/dbraw/zinc/40/31/59/665403159.db2.gz SRSRKCOCMTZTDO-AWEZNQCLSA-N 1 3 319.409 0.011 20 0 DCADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H]2CCOC2)CC1 ZINC001032602641 665405170 /nfs/dbraw/zinc/40/51/70/665405170.db2.gz APKVHIJYKZSPKD-KBMXLJTQSA-N 1 3 307.438 0.650 20 0 DCADHO COC[C@@H](C)N1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032044490 666212291 /nfs/dbraw/zinc/21/22/91/666212291.db2.gz SHIDJBDYAMPOSO-CYBMUJFWSA-N 1 3 323.441 0.141 20 0 DCADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)CCOCCO ZINC000922132830 666263203 /nfs/dbraw/zinc/26/32/03/666263203.db2.gz YUSZKOOWZLWJLK-UHFFFAOYSA-N 1 3 315.458 0.308 20 0 DCADHO CCC[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003331852 666295580 /nfs/dbraw/zinc/29/55/80/666295580.db2.gz INQSVSNGUZEDKK-GNHJJJEISA-N 1 3 307.438 0.840 20 0 DCADHO O=C(NCC1CN(C[C@@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001032131749 666367816 /nfs/dbraw/zinc/36/78/16/666367816.db2.gz SVPQLEXCIRUBJA-HNNXBMFYSA-N 1 3 307.438 0.699 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1)N(C)C ZINC001004545421 666560512 /nfs/dbraw/zinc/56/05/12/666560512.db2.gz CCWTZBNACAEWOM-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1)N(C)C ZINC001004545421 666560513 /nfs/dbraw/zinc/56/05/13/666560513.db2.gz CCWTZBNACAEWOM-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CCN(CCCO)C1 ZINC001033295902 666664100 /nfs/dbraw/zinc/66/41/00/666664100.db2.gz OLQOAWHHSBQXCF-HOTGVXAUSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C)C(N)=O ZINC000996129313 666743002 /nfs/dbraw/zinc/74/30/02/666743002.db2.gz VZPQFZDEAGJVJE-OLZOCXBDSA-N 1 3 324.469 0.561 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996339189 666772937 /nfs/dbraw/zinc/77/29/37/666772937.db2.gz WMBSASZBZHFLRG-AWEZNQCLSA-N 1 3 320.437 0.036 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996675473 666856644 /nfs/dbraw/zinc/85/66/44/666856644.db2.gz ZBGSDQYZQXRLDA-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1)C1CC1 ZINC000996677470 666857951 /nfs/dbraw/zinc/85/79/51/666857951.db2.gz JXWHZWRZVAWQSN-MRXNPFEDSA-N 1 3 319.453 0.841 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC(NCc3cnns3)CC2)CC1 ZINC000996956389 667040449 /nfs/dbraw/zinc/04/04/49/667040449.db2.gz VIEZJJHUEJLTSB-UHFFFAOYSA-N 1 3 323.466 0.961 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCn3cncn3)C2)C1 ZINC001034526553 667055825 /nfs/dbraw/zinc/05/58/25/667055825.db2.gz ZGQOIRRHPJWYLD-GJZGRUSLSA-N 1 3 320.441 0.201 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCn3cncn3)C2)C1 ZINC001034526553 667055830 /nfs/dbraw/zinc/05/58/30/667055830.db2.gz ZGQOIRRHPJWYLD-GJZGRUSLSA-N 1 3 320.441 0.201 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996993918 667060441 /nfs/dbraw/zinc/06/04/41/667060441.db2.gz HFGRPHJGQPXMSW-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1)C(N)=O ZINC000996997838 667063167 /nfs/dbraw/zinc/06/31/67/667063167.db2.gz HQGYLQPRIRMHSH-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)N3CCC3)CC2)C1 ZINC000996996230 667067585 /nfs/dbraw/zinc/06/75/85/667067585.db2.gz WQHQQMWKVVPXLU-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1)N1CCCCCC1 ZINC001034749103 667132493 /nfs/dbraw/zinc/13/24/93/667132493.db2.gz GWJPDICOXATPRG-RBSFLKMASA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000863749953 667174997 /nfs/dbraw/zinc/17/49/97/667174997.db2.gz HEKWPAVBLNEYJX-KBPBESRZSA-N 1 3 310.442 0.269 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncn2C)CCC1 ZINC001034957347 667198668 /nfs/dbraw/zinc/19/86/68/667198668.db2.gz PMOYRGFGWHIGQW-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC000119776469 667205647 /nfs/dbraw/zinc/20/56/47/667205647.db2.gz BPZALKIESKFOBE-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC000119776469 667205649 /nfs/dbraw/zinc/20/56/49/667205649.db2.gz BPZALKIESKFOBE-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997187962 667213870 /nfs/dbraw/zinc/21/38/70/667213870.db2.gz YAOVGLGXBYEXPI-GFCCVEGCSA-N 1 3 323.466 0.961 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(NCc3cnns3)CC2)C1 ZINC000997187962 667213872 /nfs/dbraw/zinc/21/38/72/667213872.db2.gz YAOVGLGXBYEXPI-GFCCVEGCSA-N 1 3 323.466 0.961 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC001035063599 667227514 /nfs/dbraw/zinc/22/75/14/667227514.db2.gz ZIAORAZRBLLULG-UKRRQHHQSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166811 667259991 /nfs/dbraw/zinc/25/99/91/667259991.db2.gz UHEGQRUJXQCMJH-ZIAGYGMSSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001035166811 667259992 /nfs/dbraw/zinc/25/99/92/667259992.db2.gz UHEGQRUJXQCMJH-ZIAGYGMSSA-N 1 3 322.453 0.269 20 0 DCADHO O=C(N[C@@H]1CCN(C[C@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001016003114 667332169 /nfs/dbraw/zinc/33/21/69/667332169.db2.gz BBQMHJVAMGGJBI-HUUCEWRRSA-N 1 3 307.438 0.842 20 0 DCADHO Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997605292 667346779 /nfs/dbraw/zinc/34/67/79/667346779.db2.gz GCFKGQGLFMSIPB-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035707508 667402480 /nfs/dbraw/zinc/40/24/80/667402480.db2.gz ZKWNTVBFNXQQPB-GOEBONIOSA-N 1 3 321.465 0.633 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035705667 667402507 /nfs/dbraw/zinc/40/25/07/667402507.db2.gz AFIWXTRZYZVITK-HNNXBMFYSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035705667 667402508 /nfs/dbraw/zinc/40/25/08/667402508.db2.gz AFIWXTRZYZVITK-HNNXBMFYSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035709378 667403007 /nfs/dbraw/zinc/40/30/07/667403007.db2.gz VBLGJMZLNGTTHW-RBSFLKMASA-N 1 3 309.454 0.632 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035709378 667403008 /nfs/dbraw/zinc/40/30/08/667403008.db2.gz VBLGJMZLNGTTHW-RBSFLKMASA-N 1 3 309.454 0.632 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](C[C@H](C)O)C2)CC1)N(C)C ZINC001035726508 667404727 /nfs/dbraw/zinc/40/47/27/667404727.db2.gz BGIPAPXMFIYZJI-GJZGRUSLSA-N 1 3 311.470 0.878 20 0 DCADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC2(CN(CCO)C2)CC1 ZINC001035732709 667405120 /nfs/dbraw/zinc/40/51/20/667405120.db2.gz FSJNCIIKSABJIC-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC2(CN(CCO)C2)CC1 ZINC001035732709 667405121 /nfs/dbraw/zinc/40/51/21/667405121.db2.gz FSJNCIIKSABJIC-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035815024 667413013 /nfs/dbraw/zinc/41/30/13/667413013.db2.gz XUEKRWNRSMXHSX-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC2(CN(CCO)C2)CC1 ZINC001035815024 667413014 /nfs/dbraw/zinc/41/30/14/667413014.db2.gz XUEKRWNRSMXHSX-JKSUJKDBSA-N 1 3 321.465 0.920 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035834621 667413702 /nfs/dbraw/zinc/41/37/02/667413702.db2.gz NJTICHMUMNJMHZ-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO COCCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035834621 667413703 /nfs/dbraw/zinc/41/37/03/667413703.db2.gz NJTICHMUMNJMHZ-HNNXBMFYSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cncn1C ZINC001036208727 667429978 /nfs/dbraw/zinc/42/99/78/667429978.db2.gz XBFXJFWVVOPHIV-SWLSCSKDSA-N 1 3 316.409 0.713 20 0 DCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C1 ZINC000923312015 667505486 /nfs/dbraw/zinc/50/54/86/667505486.db2.gz GHNSRUDJOJFKCM-HJWJTTGWSA-N 1 3 317.433 0.979 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@H](C)CN1 ZINC000884244839 667508162 /nfs/dbraw/zinc/50/81/62/667508162.db2.gz LWNOHUOTDJASGU-CHWSQXEVSA-N 1 3 303.410 0.314 20 0 DCADHO NCC(C[NH3+])NC[C@@H](O)COc1ccccc1C(F)(F)F ZINC000923356325 667515940 /nfs/dbraw/zinc/51/59/40/667515940.db2.gz KUDGAUPGLRBYFC-SNVBAGLBSA-N 1 3 307.316 0.321 20 0 DCADHO COCCCNC(=O)[C@@H](C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455752 667535359 /nfs/dbraw/zinc/53/53/59/667535359.db2.gz VEDLKGTVAXLXEN-ZIAGYGMSSA-N 1 3 313.442 0.357 20 0 DCADHO N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000884419496 667542328 /nfs/dbraw/zinc/54/23/28/667542328.db2.gz SHGXBMVHQMKRBF-MGPQQGTHSA-N 1 3 304.369 0.935 20 0 DCADHO COC(=O)C1CCN(C(=O)CN2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923496486 667545438 /nfs/dbraw/zinc/54/54/38/667545438.db2.gz ADRPYYLYOCHZPF-OCCSQVGLSA-N 1 3 311.426 0.315 20 0 DCADHO CN(CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CC1 ZINC000868230235 667545680 /nfs/dbraw/zinc/54/56/80/667545680.db2.gz WTGCAUPSSLUQCT-LSDHHAIUSA-N 1 3 316.405 0.650 20 0 DCADHO C[C@@H]1CN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1C[NH3+] ZINC000923502635 667547731 /nfs/dbraw/zinc/54/77/31/667547731.db2.gz XXPGOXGGDLDKMS-IPYPFGDCSA-N 1 3 305.426 0.832 20 0 DCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868407070 667567547 /nfs/dbraw/zinc/56/75/47/667567547.db2.gz RRTJRWWLGABZJW-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC1([NH3+])CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000884576554 667569629 /nfs/dbraw/zinc/56/96/29/667569629.db2.gz KCXLLTNWRIXFEG-UHFFFAOYSA-N 1 3 324.469 0.564 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCC1(C)C ZINC000884682368 667588789 /nfs/dbraw/zinc/58/87/89/667588789.db2.gz XRNRUOGVUUUGLZ-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884911988 667622422 /nfs/dbraw/zinc/62/24/22/667622422.db2.gz XZKQMZQFDBGXCV-SHTZXODSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CN(C[C@](C)(O)C(F)F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000886097549 667731969 /nfs/dbraw/zinc/73/19/69/667731969.db2.gz BKOLRYQSFBZVRI-IPYPFGDCSA-N 1 3 305.413 0.960 20 0 DCADHO C[C@@H]1C[N@H+](C[C@](C)(O)C(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000886097549 667731970 /nfs/dbraw/zinc/73/19/70/667731970.db2.gz BKOLRYQSFBZVRI-IPYPFGDCSA-N 1 3 305.413 0.960 20 0 DCADHO C[C@@H]1C[N@@H+](C[C@](C)(O)C(F)F)CC[C@@H]1N1CCN(C)CC1 ZINC000886097549 667731972 /nfs/dbraw/zinc/73/19/72/667731972.db2.gz BKOLRYQSFBZVRI-IPYPFGDCSA-N 1 3 305.413 0.960 20 0 DCADHO CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923621030 667745902 /nfs/dbraw/zinc/74/59/02/667745902.db2.gz HDZHCQGBWDHZGX-RDBSUJKOSA-N 1 3 301.456 0.627 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870882033 667769474 /nfs/dbraw/zinc/76/94/74/667769474.db2.gz TVJMMARNCGOMSW-GASCZTMLSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870882209 667769744 /nfs/dbraw/zinc/76/97/44/667769744.db2.gz WLQAYAJJOBOBBL-KEYYUXOJSA-N 1 3 322.453 0.126 20 0 DCADHO O=C(CCC12CC(C1)C[NH2+]2)NC1CCN([C@H]2CCOC2)CC1 ZINC000870956231 667777727 /nfs/dbraw/zinc/77/77/27/667777727.db2.gz NUWFKBDPNJCRBW-GULBITTBSA-N 1 3 307.438 0.888 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000887061370 667842854 /nfs/dbraw/zinc/84/28/54/667842854.db2.gz TXTQOMBBMAAVQS-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)N1CCOCC1 ZINC000887131212 667852990 /nfs/dbraw/zinc/85/29/90/667852990.db2.gz SSLJPXLYBWIJHB-HNNXBMFYSA-N 1 3 318.421 0.841 20 0 DCADHO CC(C)OC[C@@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000872202775 667877062 /nfs/dbraw/zinc/87/70/62/667877062.db2.gz JZEBDCLAAXVPEA-JYJNAYRXSA-N 1 3 300.443 0.740 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])CN1CCN(C)CC1 ZINC000872286620 667885913 /nfs/dbraw/zinc/88/59/13/667885913.db2.gz NDEWVBZKRRKCPN-OAGGEKHMSA-N 1 3 310.486 0.894 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887924230 667931105 /nfs/dbraw/zinc/93/11/05/667931105.db2.gz CXWWEEZVTHZPDD-XJKSGUPXSA-N 1 3 305.426 0.468 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887924230 667931106 /nfs/dbraw/zinc/93/11/06/667931106.db2.gz CXWWEEZVTHZPDD-XJKSGUPXSA-N 1 3 305.426 0.468 20 0 DCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924521401 668214434 /nfs/dbraw/zinc/21/44/34/668214434.db2.gz CYDFTDPNWDITBC-OLZOCXBDSA-N 1 3 310.442 0.979 20 0 DCADHO C[C@@H]1CCC[N@H+](C(C)(C)CN2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924521401 668214437 /nfs/dbraw/zinc/21/44/37/668214437.db2.gz CYDFTDPNWDITBC-OLZOCXBDSA-N 1 3 310.442 0.979 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CCC1(C)C ZINC000875125212 668262627 /nfs/dbraw/zinc/26/26/27/668262627.db2.gz JBJJTUUJZJEPIE-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CCC1(C)C ZINC000875125212 668262630 /nfs/dbraw/zinc/26/26/30/668262630.db2.gz JBJJTUUJZJEPIE-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO COCCN1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760482284 668274645 /nfs/dbraw/zinc/27/46/45/668274645.db2.gz BGIACWBIAMQTHF-CQSZACIVSA-N 1 3 314.499 0.513 20 0 DCADHO CS(=O)(=O)NCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925521691 668326405 /nfs/dbraw/zinc/32/64/05/668326405.db2.gz ZVAPWMFAOJSVFM-UONOGXRCSA-N 1 3 303.472 0.684 20 0 DCADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](N)C23CCC3)N(c2ccncn2)C1 ZINC000925730807 668343533 /nfs/dbraw/zinc/34/35/33/668343533.db2.gz QHNAGGKRIFCUFI-AJNGGQMLSA-N 1 3 317.437 0.930 20 0 DCADHO CC1(C)C[C@@H](NC[C@]23COCCN2C(=O)COC3)C[C@@H]([NH3+])C1 ZINC000925727740 668343717 /nfs/dbraw/zinc/34/37/17/668343717.db2.gz RHQUAUHQSJTIAX-DVOMOZLQSA-N 1 3 311.426 0.110 20 0 DCADHO CN(C)S(=O)(=O)C1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925776067 668347528 /nfs/dbraw/zinc/34/75/28/668347528.db2.gz VIRHEOVXQFRPBJ-NEPJUHHUSA-N 1 3 303.472 0.906 20 0 DCADHO CCO[C@@H](CNC(=O)N(CC)[C@H]1CCN(C)C1)C[NH+](C)C ZINC000926846494 668435310 /nfs/dbraw/zinc/43/53/10/668435310.db2.gz IUXPCEAUYVPOAR-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C[C@@H](C)O1 ZINC000876731480 668498052 /nfs/dbraw/zinc/49/80/52/668498052.db2.gz RGPGNGABRYNPFY-NDBYEHHHSA-N 1 3 319.396 0.832 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCN(CC)CC1 ZINC000876782258 668510569 /nfs/dbraw/zinc/51/05/69/668510569.db2.gz VCGVFDTWEFAZFQ-MCIOBPLBSA-N 1 3 308.470 0.542 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000876830393 668517631 /nfs/dbraw/zinc/51/76/31/668517631.db2.gz IDOLMJRXKRJETR-JTQLQIEISA-N 1 3 305.382 0.381 20 0 DCADHO [NH3+]C[C@]1(C(=O)NC[C@@H]2NCCc3ccccc32)CCCOC1 ZINC000876847798 668520457 /nfs/dbraw/zinc/52/04/57/668520457.db2.gz ZDZFGGXWEYHXHE-DOTOQJQBSA-N 1 3 303.406 0.745 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876923787 668536670 /nfs/dbraw/zinc/53/66/70/668536670.db2.gz IOGKQLAKEKSDCK-AEFFLSMTSA-N 1 3 316.449 0.800 20 0 DCADHO [NH3+]Cc1ccc2c(c1)N(C(=O)c1n[nH]c3c1CNCC3)CCO2 ZINC000877120885 668564709 /nfs/dbraw/zinc/56/47/09/668564709.db2.gz NEARROKPMFNAAG-UHFFFAOYSA-N 1 3 313.361 0.553 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000877199949 668575318 /nfs/dbraw/zinc/57/53/18/668575318.db2.gz CLMBJSRLQSEFRX-CQSZACIVSA-N 1 3 313.442 0.894 20 0 DCADHO C[C@@]1(C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CCC[NH2+]1 ZINC000877206929 668576745 /nfs/dbraw/zinc/57/67/45/668576745.db2.gz REYPTZJOQKBUBS-INIZCTEOSA-N 1 3 314.393 0.484 20 0 DCADHO CN1CCN(C2CCN(C(=O)/C=C\[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000877249637 668583106 /nfs/dbraw/zinc/58/31/06/668583106.db2.gz BFNUHBSFBIKWJW-YIEVGGLXSA-N 1 3 320.481 0.781 20 0 DCADHO COC[C@@]1(C(=O)NC[C@H]2Cc3ccccc3CN2)CCCC[NH2+]1 ZINC000877338308 668604998 /nfs/dbraw/zinc/60/49/98/668604998.db2.gz BWNSYSKRLNDHEL-SJLPKXTDSA-N 1 3 317.433 0.976 20 0 DCADHO O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343710 668605673 /nfs/dbraw/zinc/60/56/73/668605673.db2.gz QYHAOTNUPIJGIT-GJZGRUSLSA-N 1 3 305.447 0.912 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)C[C@@H]1C(F)(F)F ZINC000877370824 668610058 /nfs/dbraw/zinc/61/00/58/668610058.db2.gz GLZCQTCUIIFWRU-VWYCJHECSA-N 1 3 309.332 0.351 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000877450452 668619848 /nfs/dbraw/zinc/61/98/48/668619848.db2.gz BBAUQFXABNLRMR-MRVWCRGKSA-N 1 3 303.410 0.795 20 0 DCADHO Cn1nnnc1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155972 668691580 /nfs/dbraw/zinc/69/15/80/668691580.db2.gz VOCCDZPLAMXCMU-UHFFFAOYSA-N 1 3 308.430 0.329 20 0 DCADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000929711471 668722788 /nfs/dbraw/zinc/72/27/88/668722788.db2.gz HMJCWBMLESMFTC-UHFFFAOYSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879523640 669053345 /nfs/dbraw/zinc/05/33/45/669053345.db2.gz LWKPNUGUJGVZNK-WBVHZDCISA-N 1 3 307.438 0.954 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879523640 669053353 /nfs/dbraw/zinc/05/33/53/669053353.db2.gz LWKPNUGUJGVZNK-WBVHZDCISA-N 1 3 307.438 0.954 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793703858 669735023 /nfs/dbraw/zinc/73/50/23/669735023.db2.gz ZGNGMNFZHXYUDK-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000793703858 669735029 /nfs/dbraw/zinc/73/50/29/669735029.db2.gz ZGNGMNFZHXYUDK-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947519084 669978437 /nfs/dbraw/zinc/97/84/37/669978437.db2.gz PVWMUHZPXNQBHB-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947519084 669978442 /nfs/dbraw/zinc/97/84/42/669978442.db2.gz PVWMUHZPXNQBHB-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000951238221 670223032 /nfs/dbraw/zinc/22/30/32/670223032.db2.gz KIUCUJIDJQKJBV-KGLIPLIRSA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)CCNC(=O)c1cccc(CNC2=[NH+]CCCCN2)c1 ZINC000849216148 670765293 /nfs/dbraw/zinc/76/52/93/670765293.db2.gz WLJNCULEOBNSQY-UHFFFAOYSA-N 1 3 317.437 0.807 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000849608333 670824522 /nfs/dbraw/zinc/82/45/22/670824522.db2.gz OLKYDRHFTVZQAP-KBMXLJTQSA-N 1 3 321.469 0.912 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000858191790 670978219 /nfs/dbraw/zinc/97/82/19/670978219.db2.gz CBBFEQXLAOTWFM-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000858191790 670978223 /nfs/dbraw/zinc/97/82/23/670978223.db2.gz CBBFEQXLAOTWFM-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(CN1CCCC1)N1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858390689 670999403 /nfs/dbraw/zinc/99/94/03/670999403.db2.gz MGQONVMDBZCYFL-UHFFFAOYSA-N 1 3 304.394 0.318 20 0 DCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000852095414 671087010 /nfs/dbraw/zinc/08/70/10/671087010.db2.gz WOJWCKQFZOSXJS-OAGGEKHMSA-N 1 3 300.443 0.597 20 0 DCADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852826338 671168811 /nfs/dbraw/zinc/16/88/11/671168811.db2.gz UKHFXFKLMKNBJC-ZFWWWQNUSA-N 1 3 319.405 0.580 20 0 DCADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000821051566 671248455 /nfs/dbraw/zinc/24/84/55/671248455.db2.gz DGYNAFCCGQCLMQ-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@H+](CC)C1 ZINC000853683437 671258940 /nfs/dbraw/zinc/25/89/40/671258940.db2.gz SNEWGYAJCQDVHX-XHSDSOJGSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](CC)C1 ZINC000853683437 671258943 /nfs/dbraw/zinc/25/89/43/671258943.db2.gz SNEWGYAJCQDVHX-XHSDSOJGSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CCN(C)C(=O)C[NH+]1CCCC1)C(=O)CN1CCCC1 ZINC000821420042 671278595 /nfs/dbraw/zinc/27/85/95/671278595.db2.gz UFXFNEHEBUMZMW-UHFFFAOYSA-N 1 3 310.442 0.095 20 0 DCADHO CC(C)(O)CN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000825131523 671450364 /nfs/dbraw/zinc/45/03/64/671450364.db2.gz GRBBKEDCKUDJEM-AWEZNQCLSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842014505 671974049 /nfs/dbraw/zinc/97/40/49/671974049.db2.gz CJDLNGISYJSBHA-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082108 1158436280 /nfs/dbraw/zinc/43/62/80/1158436280.db2.gz LEKQOSJCUKILQC-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082108 1158436281 /nfs/dbraw/zinc/43/62/81/1158436281.db2.gz LEKQOSJCUKILQC-UONOGXRCSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)COC[C@H](O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879591132 685399362 /nfs/dbraw/zinc/39/93/62/685399362.db2.gz KAINIONCUHDUBX-QGZVFWFLSA-N 1 3 313.486 0.732 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC000960215255 688326292 /nfs/dbraw/zinc/32/62/92/688326292.db2.gz FVTRLVSMUBAWFA-INIZCTEOSA-N 1 3 319.453 0.987 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3nccn3C)C2)CC[N@@H+]1C ZINC000961850303 688752673 /nfs/dbraw/zinc/75/26/73/688752673.db2.gz WLOSNJLHFVSJMJ-XSCHDIRWSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3nccn3C)C2)CC[N@H+]1C ZINC000961850303 688752676 /nfs/dbraw/zinc/75/26/76/688752676.db2.gz WLOSNJLHFVSJMJ-XSCHDIRWSA-N 1 3 319.453 0.745 20 0 DCADHO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961947806 688774944 /nfs/dbraw/zinc/77/49/44/688774944.db2.gz SLMBCTIKFWPPTQ-QXSJWSMHSA-N 1 3 309.454 0.942 20 0 DCADHO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961947806 688774945 /nfs/dbraw/zinc/77/49/45/688774945.db2.gz SLMBCTIKFWPPTQ-QXSJWSMHSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@H]([NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC000963954956 689112694 /nfs/dbraw/zinc/11/26/94/689112694.db2.gz GWMCCHIRJLOMFK-UBHUBRDASA-N 1 3 321.425 0.575 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCO)C1 ZINC001039238967 694329012 /nfs/dbraw/zinc/32/90/12/694329012.db2.gz PTJVFPOBXGWJDU-DZGCQCFKSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCO)C1 ZINC001039238967 694329016 /nfs/dbraw/zinc/32/90/16/694329016.db2.gz PTJVFPOBXGWJDU-DZGCQCFKSA-N 1 3 306.410 0.648 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000968851685 690406471 /nfs/dbraw/zinc/40/64/71/690406471.db2.gz WESJJYKRNGNLBM-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cncn2C)C1 ZINC000968851685 690406474 /nfs/dbraw/zinc/40/64/74/690406474.db2.gz WESJJYKRNGNLBM-ZBFHGGJFSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1)C1CC1 ZINC000968912767 690423366 /nfs/dbraw/zinc/42/33/66/690423366.db2.gz RJPSENCOTXEMDW-GDBMZVCRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001011159548 691479321 /nfs/dbraw/zinc/47/93/21/691479321.db2.gz XXCRVRBYTMPKRW-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001011159548 691479326 /nfs/dbraw/zinc/47/93/26/691479326.db2.gz XXCRVRBYTMPKRW-HUUCEWRRSA-N 1 3 322.453 0.093 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC001011163048 691480684 /nfs/dbraw/zinc/48/06/84/691480684.db2.gz VAYFHXJYGKJKQR-INIZCTEOSA-N 1 3 322.453 0.093 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015653528 692380400 /nfs/dbraw/zinc/38/04/00/692380400.db2.gz ONUOCDYTQNFEKG-OAHLLOKOSA-N 1 3 319.453 0.495 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001018627964 693167896 /nfs/dbraw/zinc/16/78/96/693167896.db2.gz HSOGOHRDKAGXJS-LSDHHAIUSA-N 1 3 318.421 0.170 20 0 DCADHO CC[C@H](N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC001019030423 693329752 /nfs/dbraw/zinc/32/97/52/693329752.db2.gz JCBCENPBEKWIIS-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001019230243 693400832 /nfs/dbraw/zinc/40/08/32/693400832.db2.gz YCLMVANJAZHIHF-HNNXBMFYSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCN(C)C3=O)C2)CC[N@@H+]1C ZINC001019289175 693421205 /nfs/dbraw/zinc/42/12/05/693421205.db2.gz XYENJVHWZDSYHQ-AJNGGQMLSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCN(C)C3=O)C2)CC[N@H+]1C ZINC001019289175 693421208 /nfs/dbraw/zinc/42/12/08/693421208.db2.gz XYENJVHWZDSYHQ-AJNGGQMLSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@H]1[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074563090 694908013 /nfs/dbraw/zinc/90/80/13/694908013.db2.gz VXJIZJKTFLVCKT-QEJZJMRPSA-N 1 3 305.426 0.593 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687052 694917066 /nfs/dbraw/zinc/91/70/66/694917066.db2.gz NLWPIXGGZGBFIN-AEGPPILISA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001074942700 694931185 /nfs/dbraw/zinc/93/11/85/694931185.db2.gz GEASKSATTJMZPU-DYEKYZERSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042314 694935862 /nfs/dbraw/zinc/93/58/62/694935862.db2.gz KAFADLHZKQAJQA-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@H]1[C@@H](NCc2ccnn2C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001075042314 694935863 /nfs/dbraw/zinc/93/58/63/694935863.db2.gz KAFADLHZKQAJQA-DZKIICNBSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002865 695123063 /nfs/dbraw/zinc/12/30/63/695123063.db2.gz KAZVKTDGNRZRNV-ARFHVFGLSA-N 1 3 307.438 0.290 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCO)[C@H]2C1 ZINC001571514042 1162789558 /nfs/dbraw/zinc/78/95/58/1162789558.db2.gz ZRKGIJCVLPNCPL-JYJNAYRXSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C\Cl)N(C)C ZINC001571594587 1162837786 /nfs/dbraw/zinc/83/77/86/1162837786.db2.gz DZSWBUPIYIXZKF-ASOISWSRSA-N 1 3 305.850 0.734 20 0 DCADHO CN(CCNCC(=O)NCC(C)(C)C)C(=O)CC[NH+](C)C ZINC001691461823 1157782666 /nfs/dbraw/zinc/78/26/66/1157782666.db2.gz RGQKKEQNXROKFH-UHFFFAOYSA-N 1 3 300.447 0.148 20 0 DCADHO [NH3+]CCCc1ccc(OCC(=O)NC[C@@H]2CNCCO2)cc1 ZINC001649008194 1158415333 /nfs/dbraw/zinc/41/53/33/1158415333.db2.gz RSJHNJWJCUNKLK-HNNXBMFYSA-N 1 3 307.394 0.061 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001649141298 1158787457 /nfs/dbraw/zinc/78/74/57/1158787457.db2.gz BWRCQVHDKOVUQP-XDQVBPFNSA-N 1 3 311.426 0.456 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001720108974 1159075927 /nfs/dbraw/zinc/07/59/27/1159075927.db2.gz MJYBKOBWLIXEON-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001720108974 1159075937 /nfs/dbraw/zinc/07/59/37/1159075937.db2.gz MJYBKOBWLIXEON-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353446540 1159097259 /nfs/dbraw/zinc/09/72/59/1159097259.db2.gz KFJWRKMZUFGSBO-PVAVHDDUSA-N 1 3 322.497 0.764 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H](CNCC(N)=O)C1CCCC1)[NH+](C)C ZINC001446493275 1159432904 /nfs/dbraw/zinc/43/29/04/1159432904.db2.gz ALNKVTQZOXBASC-DZGCQCFKSA-N 1 3 312.458 0.323 20 0 DCADHO C[C@H](CC[NH+](C)C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001446553670 1159469887 /nfs/dbraw/zinc/46/98/87/1159469887.db2.gz JXVVMWBOIUXPCU-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCC(CC)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567604624 1160438622 /nfs/dbraw/zinc/43/86/22/1160438622.db2.gz IYHJYZDYAJZRCH-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCC(CC)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001567604624 1160438624 /nfs/dbraw/zinc/43/86/24/1160438624.db2.gz IYHJYZDYAJZRCH-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC1CC1 ZINC001568713564 1160746065 /nfs/dbraw/zinc/74/60/65/1160746065.db2.gz HLTIDCDHZYTVBC-UKRRQHHQSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001568948323 1160889562 /nfs/dbraw/zinc/88/95/62/1160889562.db2.gz OBQPYBYVKKLZPL-ZRMMWKCHSA-N 1 3 322.453 0.244 20 0 DCADHO CN1CC[C@@H](NC/C=C\CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001568970701 1160904268 /nfs/dbraw/zinc/90/42/68/1160904268.db2.gz ZCLONAKQYZPEPW-ABCZVMIZSA-N 1 3 322.453 0.355 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccnn2C)C1 ZINC001569240018 1160990643 /nfs/dbraw/zinc/99/06/43/1160990643.db2.gz QMAKFICCRLUBAO-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO COCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001569479581 1161072091 /nfs/dbraw/zinc/07/20/91/1161072091.db2.gz ZCANBRSXGHFEDR-INIZCTEOSA-N 1 3 306.410 0.913 20 0 DCADHO COCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001569479581 1161072095 /nfs/dbraw/zinc/07/20/95/1161072095.db2.gz ZCANBRSXGHFEDR-INIZCTEOSA-N 1 3 306.410 0.913 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCn2cncn2)C1 ZINC001569556178 1161136127 /nfs/dbraw/zinc/13/61/27/1161136127.db2.gz XSAANTFPWNDTHG-LSDHHAIUSA-N 1 3 320.441 0.201 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC001573863683 1163571443 /nfs/dbraw/zinc/57/14/43/1163571443.db2.gz JCBRPZDNIRLFKH-CYBMUJFWSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCc1cn[nH]n1)C1CC1 ZINC001575420143 1164008933 /nfs/dbraw/zinc/00/89/33/1164008933.db2.gz JEXYYDWBEAAAMB-LSDHHAIUSA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CNCc1cn[nH]n1)C1CC1 ZINC001575420143 1164008940 /nfs/dbraw/zinc/00/89/40/1164008940.db2.gz JEXYYDWBEAAAMB-LSDHHAIUSA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001575833560 1164167279 /nfs/dbraw/zinc/16/72/79/1164167279.db2.gz ULFMUXQZNMLQCF-ZFWWWQNUSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001575833560 1164167284 /nfs/dbraw/zinc/16/72/84/1164167284.db2.gz ULFMUXQZNMLQCF-ZFWWWQNUSA-N 1 3 310.442 0.219 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1c[nH]nn1 ZINC001576516234 1164375222 /nfs/dbraw/zinc/37/52/22/1164375222.db2.gz CKLOKFLXNYLTDI-GASCZTMLSA-N 1 3 320.441 0.364 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1c[nH]nn1 ZINC001576516234 1164375229 /nfs/dbraw/zinc/37/52/29/1164375229.db2.gz CKLOKFLXNYLTDI-GASCZTMLSA-N 1 3 320.441 0.364 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H](O)C[NH3+])N1CCc2ccccc2C1 ZINC001577086581 1164600439 /nfs/dbraw/zinc/60/04/39/1164600439.db2.gz YNETVWFPUZKKEJ-HOTGVXAUSA-N 1 3 305.422 0.649 20 0 DCADHO CCC1(N2CCOCC2)CCN([C@H]2C[NH2+]CC[C@@]2(C)O)CC1 ZINC001577230651 1164645575 /nfs/dbraw/zinc/64/55/75/1164645575.db2.gz UMUKSVVMAIJBQL-JKSUJKDBSA-N 1 3 311.470 0.676 20 0 DCADHO CCC[C@@H](C)C(=O)NCC[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001577335764 1164673385 /nfs/dbraw/zinc/67/33/85/1164673385.db2.gz BFBWFRLODIXYEK-ZIAGYGMSSA-N 1 3 312.458 0.326 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001578397363 1164997750 /nfs/dbraw/zinc/99/77/50/1164997750.db2.gz LSSPSWUKPIVHFB-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCO2)Cc1ccccc1 ZINC001578407878 1165002937 /nfs/dbraw/zinc/00/29/37/1165002937.db2.gz CIZCAJKXXOTMQK-XYJFISCASA-N 1 3 317.433 0.654 20 0 DCADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H](F)C1C[NH2+]C1 ZINC001578412331 1165004365 /nfs/dbraw/zinc/00/43/65/1165004365.db2.gz LOEJJHKGTGDJAL-KBPBESRZSA-N 1 3 313.417 0.646 20 0 DCADHO CN(CCNCc1ccc(N2CC[NH2+]CC2)o1)CC(F)F ZINC001578472987 1165029191 /nfs/dbraw/zinc/02/91/91/1165029191.db2.gz HUFRJEUVWRMAIJ-UHFFFAOYSA-N 1 3 302.369 0.976 20 0 DCADHO C[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC001578524269 1165043163 /nfs/dbraw/zinc/04/31/63/1165043163.db2.gz CMFOGRPAGKGVRR-AWEZNQCLSA-N 1 3 321.429 0.178 20 0 DCADHO CN1CCC[C@@H](NC(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)C1 ZINC001578529111 1165047623 /nfs/dbraw/zinc/04/76/23/1165047623.db2.gz PXOWAKSIQVGMCE-ZIAGYGMSSA-N 1 3 316.405 0.723 20 0 DCADHO C[NH2+]C[C@@H](O)CN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001578645943 1165076433 /nfs/dbraw/zinc/07/64/33/1165076433.db2.gz ADTVIGDBFPMKHA-HUUCEWRRSA-N 1 3 308.426 0.511 20 0 DCADHO Cc1cc(=O)[n-]c(N2CC[NH+](C[C@]3(O)CCC[NH2+]CC3)CC2)n1 ZINC001579547086 1165345536 /nfs/dbraw/zinc/34/55/36/1165345536.db2.gz CGTPLBWVUGLZFY-INIZCTEOSA-N 1 3 321.425 0.117 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)N(C)C)cc1 ZINC001579667879 1165374066 /nfs/dbraw/zinc/37/40/66/1165374066.db2.gz WHYPUOJDTXNSOL-VYDXJSESSA-N 1 3 305.422 0.827 20 0 DCADHO NCc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)nn1 ZINC001580352345 1165579887 /nfs/dbraw/zinc/57/98/87/1165579887.db2.gz XQKGESWBTJBZRR-HNNXBMFYSA-N 1 3 318.425 0.527 20 0 DCADHO NCc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)nn1 ZINC001580352345 1165579894 /nfs/dbraw/zinc/57/98/94/1165579894.db2.gz XQKGESWBTJBZRR-HNNXBMFYSA-N 1 3 318.425 0.527 20 0 DCADHO O=C([C@H]1CCN1C1CCCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001580483000 1165617221 /nfs/dbraw/zinc/61/72/21/1165617221.db2.gz ACUXHWISEVAZJD-HZPDHXFCSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(C1C[NH2+]C1)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001580485102 1165618540 /nfs/dbraw/zinc/61/85/40/1165618540.db2.gz TVDSIBPPLIHUGQ-UHFFFAOYSA-N 1 3 317.433 0.957 20 0 DCADHO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CNCc2ccccc21 ZINC001580590652 1165646985 /nfs/dbraw/zinc/64/69/85/1165646985.db2.gz LJAXADDBWABGFW-ZBFHGGJFSA-N 1 3 303.406 0.446 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC001580590652 1165646988 /nfs/dbraw/zinc/64/69/88/1165646988.db2.gz LJAXADDBWABGFW-ZBFHGGJFSA-N 1 3 303.406 0.446 20 0 DCADHO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589961643 1166730303 /nfs/dbraw/zinc/73/03/03/1166730303.db2.gz SNJJPMVEAGUDIQ-LBPRGKRZSA-N 1 3 315.425 0.940 20 0 DCADHO C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589961643 1166730308 /nfs/dbraw/zinc/73/03/08/1166730308.db2.gz SNJJPMVEAGUDIQ-LBPRGKRZSA-N 1 3 315.425 0.940 20 0 DCADHO [NH3+]CCCOCC[NH2+][C@@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001592745094 1167627570 /nfs/dbraw/zinc/62/75/70/1167627570.db2.gz QRVWWLDWSSWNDS-CQSZACIVSA-N 1 3 302.382 0.809 20 0 DCADHO [NH3+]CCCOCC[NH2+][C@@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001592745094 1167627575 /nfs/dbraw/zinc/62/75/75/1167627575.db2.gz QRVWWLDWSSWNDS-CQSZACIVSA-N 1 3 302.382 0.809 20 0 DCADHO CSCC[C@H]([NH3+])CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001646740726 1172503124 /nfs/dbraw/zinc/50/31/24/1172503124.db2.gz QFTJKNQFJGLHGX-XQQFMLRXSA-N 1 3 301.456 0.436 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCN2CCC([NH3+])CC2)C1(C)C ZINC001646791915 1172534814 /nfs/dbraw/zinc/53/48/14/1172534814.db2.gz ZXSOWPSUAQAJME-CZUORRHYSA-N 1 3 312.458 0.058 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001649282436 1173086313 /nfs/dbraw/zinc/08/63/13/1173086313.db2.gz MHLVSEUSNPJTNA-TZMCWYRMSA-N 1 3 308.430 0.125 20 0 DCADHO Cc1nccn1CCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001649282436 1173086314 /nfs/dbraw/zinc/08/63/14/1173086314.db2.gz MHLVSEUSNPJTNA-TZMCWYRMSA-N 1 3 308.430 0.125 20 0 DCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001649879092 1173278680 /nfs/dbraw/zinc/27/86/80/1173278680.db2.gz BXYIDLNMDABHQI-PWSUYJOCSA-N 1 3 322.413 0.123 20 0 DCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001649879092 1173278682 /nfs/dbraw/zinc/27/86/82/1173278682.db2.gz BXYIDLNMDABHQI-PWSUYJOCSA-N 1 3 322.413 0.123 20 0 DCADHO NC(=O)[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Cc1ccc(F)cc1 ZINC001650159140 1173488939 /nfs/dbraw/zinc/48/89/39/1173488939.db2.gz UGBJEOQEGLHOKZ-ZBFHGGJFSA-N 1 3 323.412 0.516 20 0 DCADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001650160344 1173488985 /nfs/dbraw/zinc/48/89/85/1173488985.db2.gz PILJVUXBAXBAII-LJIGWXMPSA-N 1 3 322.453 0.763 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)C[C@@H](O)C[NH3+])N2CCCC2)cc1 ZINC001650337417 1173576257 /nfs/dbraw/zinc/57/62/57/1173576257.db2.gz WFVSPKCRPVXKJN-HZPDHXFCSA-N 1 3 305.422 0.958 20 0 DCADHO CN1CCNC[C@@H]1C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001650409379 1173625989 /nfs/dbraw/zinc/62/59/89/1173625989.db2.gz AQNFYVJSHHEHNQ-XJKSGUPXSA-N 1 3 302.422 0.444 20 0 DCADHO CN1C(=O)CC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1=O ZINC001660085349 1173939348 /nfs/dbraw/zinc/93/93/48/1173939348.db2.gz UJUZRJIEGQUBEO-XOYHFGRZSA-N 1 3 323.437 0.757 20 0 DCADHO CCN1CC[C@H]([N@H+](CC)CCCNC(=O)CN2CCCC2)C1=O ZINC001660627656 1174024061 /nfs/dbraw/zinc/02/40/61/1174024061.db2.gz CJOXMKCELGFXIY-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCN1CC[C@H]([N@@H+](CC)CCCNC(=O)CN2CCCC2)C1=O ZINC001660627656 1174024069 /nfs/dbraw/zinc/02/40/69/1174024069.db2.gz CJOXMKCELGFXIY-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCCC1=O ZINC001669289246 1174917462 /nfs/dbraw/zinc/91/74/62/1174917462.db2.gz UOIRZSPLIGFSDD-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[N@H+](CCOCCO)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001674495377 1175279137 /nfs/dbraw/zinc/27/91/37/1175279137.db2.gz HHWOLJDRTPCMAP-HNNXBMFYSA-N 1 3 313.442 0.014 20 0 DCADHO C[N@@H+](CCOCCO)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001674495377 1175279141 /nfs/dbraw/zinc/27/91/41/1175279141.db2.gz HHWOLJDRTPCMAP-HNNXBMFYSA-N 1 3 313.442 0.014 20 0 DCADHO CN(CC(C)(C)C[NH2+]CCn1cncn1)C(=O)Cc1c[nH]cn1 ZINC001674860690 1175301699 /nfs/dbraw/zinc/30/16/99/1175301699.db2.gz IYWGHUNIZDCBPU-UHFFFAOYSA-N 1 3 319.413 0.318 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001689362358 1176842286 /nfs/dbraw/zinc/84/22/86/1176842286.db2.gz XZCKHQPSINTQCN-NFAHFFEMSA-N 1 3 324.469 0.600 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001689362358 1176842294 /nfs/dbraw/zinc/84/22/94/1176842294.db2.gz XZCKHQPSINTQCN-NFAHFFEMSA-N 1 3 324.469 0.600 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1CCOCC1CC1 ZINC001692232482 1177453772 /nfs/dbraw/zinc/45/37/72/1177453772.db2.gz IJQOWJPNNVSQFH-BMFZPTHFSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1CCOCC1CC1 ZINC001692232482 1177453776 /nfs/dbraw/zinc/45/37/76/1177453776.db2.gz IJQOWJPNNVSQFH-BMFZPTHFSA-N 1 3 309.454 0.944 20 0 DCADHO CCn1cc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001698840819 1177690068 /nfs/dbraw/zinc/69/00/68/1177690068.db2.gz NASOAWBUSVRRPX-HOCLYGCPSA-N 1 3 321.469 0.976 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001699158921 1177901385 /nfs/dbraw/zinc/90/13/85/1177901385.db2.gz JXSNNHUDPVSONQ-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001699264379 1178005430 /nfs/dbraw/zinc/00/54/30/1178005430.db2.gz YTMAYIQWFQWNSK-KSDWCKQUSA-N 1 3 322.453 0.256 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC1CC1 ZINC001699264379 1178005439 /nfs/dbraw/zinc/00/54/39/1178005439.db2.gz YTMAYIQWFQWNSK-KSDWCKQUSA-N 1 3 322.453 0.256 20 0 DCADHO CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001699280194 1178022845 /nfs/dbraw/zinc/02/28/45/1178022845.db2.gz RRMDBCJMVSZYDR-ITDFMYJTSA-N 1 3 308.426 0.011 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCc2ccnn2C)C1 ZINC001699307375 1178050375 /nfs/dbraw/zinc/05/03/75/1178050375.db2.gz FJYNIUKZDPQXOB-ABCZVMIZSA-N 1 3 319.453 0.566 20 0 DCADHO CN(CCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCCCN1C ZINC001699518877 1178178547 /nfs/dbraw/zinc/17/85/47/1178178547.db2.gz ULBLPXJFTFQZCA-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC1CC1 ZINC001699553377 1178196478 /nfs/dbraw/zinc/19/64/78/1178196478.db2.gz AEBHROASRGFKQH-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCNC(=O)CN2CCCC2)C1 ZINC001703374700 1179508261 /nfs/dbraw/zinc/50/82/61/1179508261.db2.gz JGBWMDMXRQMMSU-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCNC(=O)CN2CCCC2)C1 ZINC001703374700 1179508268 /nfs/dbraw/zinc/50/82/68/1179508268.db2.gz JGBWMDMXRQMMSU-AWEZNQCLSA-N 1 3 310.442 0.047 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@H+](C)CCN2CCCC2=O)C1 ZINC001712972230 1180598492 /nfs/dbraw/zinc/59/84/92/1180598492.db2.gz QEYCZPKSRAIRDW-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[N@@H+](C)CCN2CCCC2=O)C1 ZINC001712972230 1180598493 /nfs/dbraw/zinc/59/84/93/1180598493.db2.gz QEYCZPKSRAIRDW-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001713634340 1180982085 /nfs/dbraw/zinc/98/20/85/1180982085.db2.gz PVSYKGAHUUBZDJ-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO CNC(=O)CN1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001714525436 1181401305 /nfs/dbraw/zinc/40/13/05/1181401305.db2.gz XRYFRODTQPWQKQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCNCC(=O)NC1CCCCC1)C(=O)CC[NH+](C)C ZINC001714753266 1181524709 /nfs/dbraw/zinc/52/47/09/1181524709.db2.gz TXQMIOFNWOJRAI-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714780868 1181543079 /nfs/dbraw/zinc/54/30/79/1181543079.db2.gz NOWCUOKISRNJGV-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001714780868 1181543082 /nfs/dbraw/zinc/54/30/82/1181543082.db2.gz NOWCUOKISRNJGV-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCCC[NH+]1CCCC1 ZINC001714806941 1181557494 /nfs/dbraw/zinc/55/74/94/1181557494.db2.gz ZYSVQKKMOGXHGW-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001715159834 1181704664 /nfs/dbraw/zinc/70/46/64/1181704664.db2.gz HFPHGITYELBYNB-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC/C=C\CN[C@H](C)C(N)=O)CC1 ZINC001715884778 1182076085 /nfs/dbraw/zinc/07/60/85/1182076085.db2.gz AVTOBSKJKRMKDL-DSYXLKISSA-N 1 3 310.442 0.243 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCc1ccnn1C ZINC001716007927 1182143130 /nfs/dbraw/zinc/14/31/30/1182143130.db2.gz DGTOHLQDQKCCOE-HOCLYGCPSA-N 1 3 321.469 0.931 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001716297159 1182313486 /nfs/dbraw/zinc/31/34/86/1182313486.db2.gz XLQAMVNLVCRVFS-YYVJBKDVSA-N 1 3 324.469 0.455 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001716297159 1182313491 /nfs/dbraw/zinc/31/34/91/1182313491.db2.gz XLQAMVNLVCRVFS-YYVJBKDVSA-N 1 3 324.469 0.455 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O ZINC001716380003 1182366223 /nfs/dbraw/zinc/36/62/23/1182366223.db2.gz WSOMYJLIOIAVPS-XEVLESSRSA-N 1 3 322.453 0.354 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O ZINC001716380003 1182366227 /nfs/dbraw/zinc/36/62/27/1182366227.db2.gz WSOMYJLIOIAVPS-XEVLESSRSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001716399411 1182374552 /nfs/dbraw/zinc/37/45/52/1182374552.db2.gz JFYJANSWYXQUCB-CYBMUJFWSA-N 1 3 307.442 0.541 20 0 DCADHO CCC1([NH2+]CCOCCO)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001717239878 1182745378 /nfs/dbraw/zinc/74/53/78/1182745378.db2.gz BSDDVHHWCKNGSU-UHFFFAOYSA-N 1 3 324.425 0.322 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC2(CNCCF)CCOCC2)C1 ZINC001717268184 1182759381 /nfs/dbraw/zinc/75/93/81/1182759381.db2.gz PTFKKJINYWPNKS-ZDUSSCGKSA-N 1 3 301.406 0.553 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC2(CNCCF)CCOCC2)C1 ZINC001717268184 1182759383 /nfs/dbraw/zinc/75/93/83/1182759383.db2.gz PTFKKJINYWPNKS-ZDUSSCGKSA-N 1 3 301.406 0.553 20 0 DCADHO Cc1nc(CN[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)n[nH]1 ZINC001717291483 1182769753 /nfs/dbraw/zinc/76/97/53/1182769753.db2.gz YQMPEEKZVKYTRG-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001721858826 1184083080 /nfs/dbraw/zinc/08/30/80/1184083080.db2.gz KKLGBHKMAWVZGJ-GWQWAINWSA-N 1 3 322.453 0.213 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001721858826 1184083084 /nfs/dbraw/zinc/08/30/84/1184083084.db2.gz KKLGBHKMAWVZGJ-GWQWAINWSA-N 1 3 322.453 0.213 20 0 DCADHO C[C@@H](CCC[NH2+]CC(=O)N1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001725410848 1184811081 /nfs/dbraw/zinc/81/10/81/1184811081.db2.gz AAODNVWAFOMAHQ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nc(CN2CCC[C@H]2CCCNC(=O)CC[NH+](C)C)n[nH]1 ZINC001731753288 1185470054 /nfs/dbraw/zinc/47/00/54/1185470054.db2.gz ACVFSAUDNNRBBB-CQSZACIVSA-N 1 3 322.457 0.926 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)[C@H]2CCCN2C)n1 ZINC001731898012 1185555849 /nfs/dbraw/zinc/55/58/49/1185555849.db2.gz ILTGHTKGKXOASJ-CQSZACIVSA-N 1 3 308.430 0.037 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001733091516 1186133210 /nfs/dbraw/zinc/13/32/10/1186133210.db2.gz HCTKPQKWVHJWJB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC ZINC001733144498 1186162200 /nfs/dbraw/zinc/16/22/00/1186162200.db2.gz GRTATCNJHRTRHF-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C[C@@H](O)C[NH2+]CCCO)C(=O)C(C)(C)N1CCCCC1 ZINC001734517236 1186672928 /nfs/dbraw/zinc/67/29/28/1186672928.db2.gz SJOZJLAZKAYKRK-AWEZNQCLSA-N 1 3 315.458 0.042 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)Cc2nc[nH]c2C)CC[N@@H+]1C ZINC001736773863 1187098248 /nfs/dbraw/zinc/09/82/48/1187098248.db2.gz RDLICVMGGDDUMS-GXTWGEPZSA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNC(=O)Cc2nc[nH]c2C)CC[N@H+]1C ZINC001736773863 1187098254 /nfs/dbraw/zinc/09/82/54/1187098254.db2.gz RDLICVMGGDDUMS-GXTWGEPZSA-N 1 3 321.425 0.223 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001736809870 1187117179 /nfs/dbraw/zinc/11/71/79/1187117179.db2.gz XDWFHJWKAMUGIH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001736809870 1187117182 /nfs/dbraw/zinc/11/71/82/1187117182.db2.gz XDWFHJWKAMUGIH-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001736844049 1187133572 /nfs/dbraw/zinc/13/35/72/1187133572.db2.gz OQTVGZYNGINIFG-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001736844049 1187133573 /nfs/dbraw/zinc/13/35/73/1187133573.db2.gz OQTVGZYNGINIFG-AAEUAGOBSA-N 1 3 321.425 0.223 20 0 DCADHO CC(C)[C@H](C(=O)NCCNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001742623460 1188016946 /nfs/dbraw/zinc/01/69/46/1188016946.db2.gz FHFXGDCATUEQSL-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](CCCNC(=O)CN(C)C1CCC1)[C@H]1CCCNC1=O ZINC001752190909 1188400586 /nfs/dbraw/zinc/40/05/86/1188400586.db2.gz YORDCPWVODALGY-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CCCNC(=O)CN(C)C1CCC1)[C@H]1CCCNC1=O ZINC001752190909 1188400587 /nfs/dbraw/zinc/40/05/87/1188400587.db2.gz YORDCPWVODALGY-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001754396750 1188843932 /nfs/dbraw/zinc/84/39/32/1188843932.db2.gz ZVTDQTYRLDEBFX-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N(CCO)CCNCCF ZINC001754893824 1188966929 /nfs/dbraw/zinc/96/69/29/1188966929.db2.gz JUKMFTDLHOBKDZ-KBPBESRZSA-N 1 3 301.406 0.383 20 0 DCADHO O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N(CCO)CCNCCF ZINC001754893824 1188966931 /nfs/dbraw/zinc/96/69/31/1188966931.db2.gz JUKMFTDLHOBKDZ-KBPBESRZSA-N 1 3 301.406 0.383 20 0 DCADHO Cc1ccncc1CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001754897326 1188968704 /nfs/dbraw/zinc/96/87/04/1188968704.db2.gz MVOOBMVMQUOPKF-HNNXBMFYSA-N 1 3 320.437 0.252 20 0 DCADHO Cc1ccncc1CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001754897326 1188968705 /nfs/dbraw/zinc/96/87/05/1188968705.db2.gz MVOOBMVMQUOPKF-HNNXBMFYSA-N 1 3 320.437 0.252 20 0 DCADHO COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001755789386 1189214638 /nfs/dbraw/zinc/21/46/38/1189214638.db2.gz MIMYUUKYAIFNQF-GJZGRUSLSA-N 1 3 315.458 0.305 20 0 DCADHO CCN(CC)CC(=O)N1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001756782552 1189452911 /nfs/dbraw/zinc/45/29/11/1189452911.db2.gz MPXWDZPAEXCWRE-UHFFFAOYSA-N 1 3 324.469 0.555 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C\CNC(=O)CN1CCC(C)(C)C1 ZINC001759752836 1190290192 /nfs/dbraw/zinc/29/01/92/1190290192.db2.gz FNIHLLMZNWCXCH-WAYWQWQTSA-N 1 3 324.469 0.459 20 0 DCADHO COCC[C@H](N)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC001771872540 1190537298 /nfs/dbraw/zinc/53/72/98/1190537298.db2.gz CTLMSUVDIAXSNZ-AWEZNQCLSA-N 1 3 301.431 0.356 20 0 DCADHO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OCC(N)=O ZINC001771912046 1190551683 /nfs/dbraw/zinc/55/16/83/1190551683.db2.gz XDTACZDUXCKRAK-QWHCGFSZSA-N 1 3 307.394 0.919 20 0 DCADHO O=C(NC[C@H]1Cc2ccccc2CN1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001772065036 1190602472 /nfs/dbraw/zinc/60/24/72/1190602472.db2.gz CYJRJJOORWAFKD-LVQVYYBASA-N 1 3 300.406 0.893 20 0 DCADHO [NH3+][C@@H]1CCCn2nc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cc21 ZINC001772222435 1190634288 /nfs/dbraw/zinc/63/42/88/1190634288.db2.gz MADNBHWDZHOFHH-YNEHKIRRSA-N 1 3 319.409 0.270 20 0 DCADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC001772222919 1190634987 /nfs/dbraw/zinc/63/49/87/1190634987.db2.gz OKWNWAWMNHLBRI-JKSUJKDBSA-N 1 3 304.438 0.618 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)N[C@H]3CCC[NH2+]CC3)ccc2NC1=O ZINC001772226635 1190635387 /nfs/dbraw/zinc/63/53/87/1190635387.db2.gz LAUHOKFQMREKRK-UONOGXRCSA-N 1 3 316.405 0.771 20 0 DCADHO [NH3+]C[C@H](O)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001772251261 1190643375 /nfs/dbraw/zinc/64/33/75/1190643375.db2.gz AMLNTNYBSRJYFN-INIZCTEOSA-N 1 3 320.437 0.025 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077553178 751441652 /nfs/dbraw/zinc/44/16/52/751441652.db2.gz FBUNSVRDZXTXCH-BZUAXINKSA-N 1 3 309.454 0.680 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001077553178 751441657 /nfs/dbraw/zinc/44/16/57/751441657.db2.gz FBUNSVRDZXTXCH-BZUAXINKSA-N 1 3 309.454 0.680 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cn(C)nc2C)CC[N@@H+]1C ZINC001127695817 751643474 /nfs/dbraw/zinc/64/34/74/751643474.db2.gz ZXUBPLHCLAAUAA-LSDHHAIUSA-N 1 3 307.442 0.665 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCc2cn(C)nc2C)CC[N@H+]1C ZINC001127695817 751643480 /nfs/dbraw/zinc/64/34/80/751643480.db2.gz ZXUBPLHCLAAUAA-LSDHHAIUSA-N 1 3 307.442 0.665 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001107040105 751789094 /nfs/dbraw/zinc/78/90/94/751789094.db2.gz CYYZQZQIBYKKIY-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2)N(C)C ZINC001107444475 752052347 /nfs/dbraw/zinc/05/23/47/752052347.db2.gz KMABQGSQUQNRKO-HLLBOEOZSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2)N(C)C ZINC001107444475 752052350 /nfs/dbraw/zinc/05/23/50/752052350.db2.gz KMABQGSQUQNRKO-HLLBOEOZSA-N 1 3 311.470 0.926 20 0 DCADHO O=C(N1CCC(N(CCO)CCF)CC1)C12CC[NH+](CC1)C2 ZINC001098534951 747048141 /nfs/dbraw/zinc/04/81/41/747048141.db2.gz PIXQUZGAEHEYMS-UHFFFAOYSA-N 1 3 313.417 0.337 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104294436 747136605 /nfs/dbraw/zinc/13/66/05/747136605.db2.gz PTWYFLIDVRAXCN-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001210811905 747138261 /nfs/dbraw/zinc/13/82/61/747138261.db2.gz RIUNVVZDPBZCMV-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001167480463 747276609 /nfs/dbraw/zinc/27/66/09/747276609.db2.gz GPVGFBLDWRLWAM-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001167480371 747276885 /nfs/dbraw/zinc/27/68/85/747276885.db2.gz CAXOUWRJRYKYIO-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)CN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249408 747424284 /nfs/dbraw/zinc/42/42/84/747424284.db2.gz CXPZVVGSRVTCTC-LSDHHAIUSA-N 1 3 307.438 0.650 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105067018 748019453 /nfs/dbraw/zinc/01/94/53/748019453.db2.gz JHAWPPIVSFKMSS-KFWWJZLASA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)CCC(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001105320703 748130827 /nfs/dbraw/zinc/13/08/27/748130827.db2.gz GRHWTBDCKNZKNL-UHFFFAOYSA-N 1 3 306.414 0.113 20 0 DCADHO CN1C[C@H]2[C@H](C1)CCCN2S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239097954 752245733 /nfs/dbraw/zinc/24/57/33/752245733.db2.gz UKFZXTNDVFRQCB-KBPBESRZSA-N 1 3 301.456 0.342 20 0 DCADHO COC[C@H](O)C[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167901766 748478855 /nfs/dbraw/zinc/47/88/55/748478855.db2.gz ZNUYRJMSGMVLMS-CYBMUJFWSA-N 1 3 324.425 0.144 20 0 DCADHO CCCNCc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098716014 749213145 /nfs/dbraw/zinc/21/31/45/749213145.db2.gz NQRSMRXRYXGFCS-CQSZACIVSA-N 1 3 308.430 0.503 20 0 DCADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001088315095 749364177 /nfs/dbraw/zinc/36/41/77/749364177.db2.gz OESACZMLWXXMKA-CABCVRRESA-N 1 3 322.453 0.174 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088414048 749427072 /nfs/dbraw/zinc/42/70/72/749427072.db2.gz VUDPWEISAZPTML-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCCCC[C@H](NCC(N)=O)C2)C1 ZINC001088414048 749427077 /nfs/dbraw/zinc/42/70/77/749427077.db2.gz VUDPWEISAZPTML-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001088757054 749978002 /nfs/dbraw/zinc/97/80/02/749978002.db2.gz GHCJOJCKXVHCFU-LQCZDEPNSA-N 1 3 307.438 0.839 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H]1C ZINC001088757054 749978009 /nfs/dbraw/zinc/97/80/09/749978009.db2.gz GHCJOJCKXVHCFU-LQCZDEPNSA-N 1 3 307.438 0.839 20 0 DCADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCN2CCCC2=O)C1 ZINC001101036148 749981599 /nfs/dbraw/zinc/98/15/99/749981599.db2.gz JAHWKBYAVPJYGF-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001077152569 750231635 /nfs/dbraw/zinc/23/16/35/750231635.db2.gz XTIWWNDAQPVZJO-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001077152569 750231640 /nfs/dbraw/zinc/23/16/40/750231640.db2.gz XTIWWNDAQPVZJO-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037101 750847565 /nfs/dbraw/zinc/84/75/65/750847565.db2.gz MFWXLZFUFQPPRQ-HOTGVXAUSA-N 1 3 310.486 0.811 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001046037101 750847575 /nfs/dbraw/zinc/84/75/75/750847575.db2.gz MFWXLZFUFQPPRQ-HOTGVXAUSA-N 1 3 310.486 0.811 20 0 DCADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106247068 751063111 /nfs/dbraw/zinc/06/31/11/751063111.db2.gz UWIIGSZJUAJBIE-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249411 751063901 /nfs/dbraw/zinc/06/39/01/751063901.db2.gz GRWMWTHILAFABA-XNRPHZJLSA-N 1 3 324.469 0.147 20 0 DCADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1nncn1C ZINC001106627182 751208777 /nfs/dbraw/zinc/20/87/77/751208777.db2.gz WEMCJRNSAPYBMN-MGPQQGTHSA-N 1 3 322.457 0.512 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC001106779927 751276669 /nfs/dbraw/zinc/27/66/69/751276669.db2.gz YEZIEUNBLMYULP-GDBMZVCRSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001077751936 752460927 /nfs/dbraw/zinc/46/09/27/752460927.db2.gz NCEYGVAANUKJLB-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001077751936 752460931 /nfs/dbraw/zinc/46/09/31/752460931.db2.gz NCEYGVAANUKJLB-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccnn1C)C1CC1 ZINC001045067927 753031292 /nfs/dbraw/zinc/03/12/92/753031292.db2.gz VRMFBVCJWKTVMQ-HOTGVXAUSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC001045218725 753097242 /nfs/dbraw/zinc/09/72/42/753097242.db2.gz ZIAORAZRBLLULG-ZFWWWQNUSA-N 1 3 306.410 0.959 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001045308729 753138292 /nfs/dbraw/zinc/13/82/92/753138292.db2.gz ILMJBJHTEFGGBR-GJZGRUSLSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001045308729 753138297 /nfs/dbraw/zinc/13/82/97/753138297.db2.gz ILMJBJHTEFGGBR-GJZGRUSLSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CC3CC3)C2)C1 ZINC001078468593 753262979 /nfs/dbraw/zinc/26/29/79/753262979.db2.gz KBZZKTDRXVOPCG-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001046037899 753440384 /nfs/dbraw/zinc/44/03/84/753440384.db2.gz BKQBSTRRBMKOQQ-JKSUJKDBSA-N 1 3 310.486 0.955 20 0 DCADHO CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001046037899 753440386 /nfs/dbraw/zinc/44/03/86/753440386.db2.gz BKQBSTRRBMKOQQ-JKSUJKDBSA-N 1 3 310.486 0.955 20 0 DCADHO CC[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064244 753456978 /nfs/dbraw/zinc/45/69/78/753456978.db2.gz IPNPRFYJNCKTPH-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO CC[N@H+]1CC[C@H](N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001046064244 753456981 /nfs/dbraw/zinc/45/69/81/753456981.db2.gz IPNPRFYJNCKTPH-CVEARBPZSA-N 1 3 308.470 0.567 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2 ZINC001047189868 754123830 /nfs/dbraw/zinc/12/38/30/754123830.db2.gz GAPKSQJSHODPGL-IHRRRGAJSA-N 1 3 306.410 0.612 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047189868 754123837 /nfs/dbraw/zinc/12/38/37/754123837.db2.gz GAPKSQJSHODPGL-IHRRRGAJSA-N 1 3 306.410 0.612 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C2CC[NH+](CCO)CC2)C1 ZINC001047258606 754138758 /nfs/dbraw/zinc/13/87/58/754138758.db2.gz DIEPTMHJQQIGCW-HNNXBMFYSA-N 1 3 320.437 0.895 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(CC3CC3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386177 754234781 /nfs/dbraw/zinc/23/47/81/754234781.db2.gz NIHLLZGLBBSPKK-FZKCQIBNSA-N 1 3 309.454 0.630 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CN(CC3CC3)C[C@@H]2O)CC[N@H+]1C ZINC001047386177 754234786 /nfs/dbraw/zinc/23/47/86/754234786.db2.gz NIHLLZGLBBSPKK-FZKCQIBNSA-N 1 3 309.454 0.630 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001128773526 754269868 /nfs/dbraw/zinc/26/98/68/754269868.db2.gz ANEMRDUXACOUID-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001128773526 754269873 /nfs/dbraw/zinc/26/98/73/754269873.db2.gz ANEMRDUXACOUID-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472891 754312371 /nfs/dbraw/zinc/31/23/71/754312371.db2.gz MPHRAKUKAARDMF-JYJNAYRXSA-N 1 3 309.454 0.774 20 0 DCADHO CCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219578 754570233 /nfs/dbraw/zinc/57/02/33/754570233.db2.gz GCZVJAFSGQNNFJ-KGLIPLIRSA-N 1 3 308.430 0.371 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C[NH2+]Cc1cnns1 ZINC001048473985 754767389 /nfs/dbraw/zinc/76/73/89/754767389.db2.gz FMNGWEFOWPJOOM-OLZOCXBDSA-N 1 3 323.466 0.818 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097218840 755624311 /nfs/dbraw/zinc/62/43/11/755624311.db2.gz KZYVCMZKCXIOBA-FPCVCCKLSA-N 1 3 309.454 0.963 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097218840 755624312 /nfs/dbraw/zinc/62/43/12/755624312.db2.gz KZYVCMZKCXIOBA-FPCVCCKLSA-N 1 3 309.454 0.963 20 0 DCADHO CC[C@@H](C(=O)N(CC)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001080148158 756120347 /nfs/dbraw/zinc/12/03/47/756120347.db2.gz YQRVSLVLVAGYGX-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO CN(CC(=O)N1CCC[C@]2(CC[N@H+](CCO)C2)C1)C1CCC1 ZINC001054145704 756384076 /nfs/dbraw/zinc/38/40/76/756384076.db2.gz WHMJGNMHPHEKTP-QGZVFWFLSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CC(=O)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1)C1CCC1 ZINC001054145704 756384080 /nfs/dbraw/zinc/38/40/80/756384080.db2.gz WHMJGNMHPHEKTP-QGZVFWFLSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC001080943152 756396541 /nfs/dbraw/zinc/39/65/41/756396541.db2.gz RZAGUHXFPUPVKP-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC001080943152 756396546 /nfs/dbraw/zinc/39/65/46/756396546.db2.gz RZAGUHXFPUPVKP-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054734827 756620971 /nfs/dbraw/zinc/62/09/71/756620971.db2.gz GPLVOGQSCMTBJM-GJZGRUSLSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC001054738328 756622227 /nfs/dbraw/zinc/62/22/27/756622227.db2.gz OZJSKAJGLVSCKZ-CJNGLKHVSA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)C(N)=O ZINC001082556856 757184914 /nfs/dbraw/zinc/18/49/14/757184914.db2.gz FTUFDJCKBZVSET-JHJVBQTASA-N 1 3 310.442 0.171 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001082589170 757195586 /nfs/dbraw/zinc/19/55/86/757195586.db2.gz MCINGEYXOACQCY-BPLDGKMQSA-N 1 3 307.442 0.697 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001082748473 757240303 /nfs/dbraw/zinc/24/03/03/757240303.db2.gz NJQFOYCEBZBHGC-KFWWJZLASA-N 1 3 307.442 0.660 20 0 DCADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NCc1cnnn1C ZINC001082740903 757251975 /nfs/dbraw/zinc/25/19/75/757251975.db2.gz JTISQPGLSAONEH-UMVBOHGHSA-N 1 3 320.441 0.236 20 0 DCADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NCc1cnnn1C ZINC001082740903 757251979 /nfs/dbraw/zinc/25/19/79/757251979.db2.gz JTISQPGLSAONEH-UMVBOHGHSA-N 1 3 320.441 0.236 20 0 DCADHO CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099744 757363058 /nfs/dbraw/zinc/36/30/58/757363058.db2.gz JTDIFFDYSOVEHL-HNCZQISISA-N 1 3 319.449 0.792 20 0 DCADHO CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050099744 757363067 /nfs/dbraw/zinc/36/30/67/757363067.db2.gz JTDIFFDYSOVEHL-HNCZQISISA-N 1 3 319.449 0.792 20 0 DCADHO CC(C)N1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937219 757558557 /nfs/dbraw/zinc/55/85/57/757558557.db2.gz RNAOJGIBFBEVHD-CVEARBPZSA-N 1 3 309.454 0.678 20 0 DCADHO CCN1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714332 757985690 /nfs/dbraw/zinc/98/56/90/757985690.db2.gz BWECREYUUUOPIY-UKRRQHHQSA-N 1 3 305.426 0.611 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC001099985374 759076637 /nfs/dbraw/zinc/07/66/37/759076637.db2.gz BTZATCMYEOCRRP-LSDHHAIUSA-N 1 3 313.442 0.059 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001147825086 767853285 /nfs/dbraw/zinc/85/32/85/767853285.db2.gz NZXHFXMYOUPFHB-TZMCWYRMSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001147900225 767877937 /nfs/dbraw/zinc/87/79/37/767877937.db2.gz KGIOCXZVFZRWCS-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001147900225 767877945 /nfs/dbraw/zinc/87/79/45/767877945.db2.gz KGIOCXZVFZRWCS-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900870 767879769 /nfs/dbraw/zinc/87/97/69/767879769.db2.gz XNBFBUYCXNGUSP-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900870 767879777 /nfs/dbraw/zinc/87/97/77/767879777.db2.gz XNBFBUYCXNGUSP-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977919 767891407 /nfs/dbraw/zinc/89/14/07/767891407.db2.gz ZVIWUDQHLJHSHB-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001161093660 767924076 /nfs/dbraw/zinc/92/40/76/767924076.db2.gz UUDMDBDRBKTBGN-WCBMZHEXSA-N 1 3 305.304 0.936 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cccc2nncn21 ZINC001156072462 760299713 /nfs/dbraw/zinc/29/97/13/760299713.db2.gz OENZAOSCKGJRLV-UHFFFAOYSA-N 1 3 303.370 0.407 20 0 DCADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCOCCN1C(=O)C=CC1=O)C2 ZINC001169110512 760594400 /nfs/dbraw/zinc/59/44/00/760594400.db2.gz LYKWYUGGTPUFJN-ZSOGYDGISA-N 1 3 307.394 0.143 20 0 DCADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCOCCN1C(=O)C=CC1=O)C2 ZINC001169110512 760594403 /nfs/dbraw/zinc/59/44/03/760594403.db2.gz LYKWYUGGTPUFJN-ZSOGYDGISA-N 1 3 307.394 0.143 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)CCCC[NH+](C)C)C1CC1 ZINC001148364826 767973771 /nfs/dbraw/zinc/97/37/71/767973771.db2.gz CVSRACTUQIMNCL-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365421 767973785 /nfs/dbraw/zinc/97/37/85/767973785.db2.gz PCYGNQRZOGHJSN-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001115303772 760896747 /nfs/dbraw/zinc/89/67/47/760896747.db2.gz JPOZMAZINGOEDL-AIANPOQGSA-N 1 3 309.454 0.800 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]21 ZINC001115303772 760896764 /nfs/dbraw/zinc/89/67/64/760896764.db2.gz JPOZMAZINGOEDL-AIANPOQGSA-N 1 3 309.454 0.800 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H](O)Cc2ccccc2)CCC1 ZINC001129356193 761000366 /nfs/dbraw/zinc/00/03/66/761000366.db2.gz DFRWNLOAKGBNNX-INIZCTEOSA-N 1 3 319.449 0.780 20 0 DCADHO COCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769636 761038448 /nfs/dbraw/zinc/03/84/48/761038448.db2.gz YFVOWAXAJSUGJV-GUTXKFCHSA-N 1 3 306.410 0.958 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001100126236 761050525 /nfs/dbraw/zinc/05/05/25/761050525.db2.gz DPAOWLHWMNFUIN-HUUCEWRRSA-N 1 3 315.433 0.773 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097279 761081695 /nfs/dbraw/zinc/08/16/95/761081695.db2.gz KYHFFAANYRMAJB-ZNMIVQPWSA-N 1 3 320.441 0.371 20 0 DCADHO CCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097279 761081703 /nfs/dbraw/zinc/08/17/03/761081703.db2.gz KYHFFAANYRMAJB-ZNMIVQPWSA-N 1 3 320.441 0.371 20 0 DCADHO CCCCN1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370731 761107688 /nfs/dbraw/zinc/10/76/88/761107688.db2.gz ZIJBZZCDUDRXEZ-CABCVRRESA-N 1 3 322.457 0.762 20 0 DCADHO CCCCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370731 761107694 /nfs/dbraw/zinc/10/76/94/761107694.db2.gz ZIJBZZCDUDRXEZ-CABCVRRESA-N 1 3 322.457 0.762 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1)N(C)C ZINC001070277133 761161678 /nfs/dbraw/zinc/16/16/78/761161678.db2.gz GZBUXZNMYCCGON-ILXRZTDVSA-N 1 3 320.441 0.370 20 0 DCADHO CC(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070284483 761163441 /nfs/dbraw/zinc/16/34/41/761163441.db2.gz FYONJHKWZADVLI-KGLIPLIRSA-N 1 3 317.397 0.241 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCC(C)C ZINC001148578142 768019207 /nfs/dbraw/zinc/01/92/07/768019207.db2.gz OTFAZQYUAHPXRF-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCC(C)C ZINC001148578142 768019211 /nfs/dbraw/zinc/01/92/11/768019211.db2.gz OTFAZQYUAHPXRF-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N[C@@H](C)CC ZINC001148577977 768019835 /nfs/dbraw/zinc/01/98/35/768019835.db2.gz MCKZMIHAIKQCDA-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)N[C@@H](C)CC ZINC001148577977 768019838 /nfs/dbraw/zinc/01/98/38/768019838.db2.gz MCKZMIHAIKQCDA-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO COCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737944 768025497 /nfs/dbraw/zinc/02/54/97/768025497.db2.gz KXLNLOOYTCLJNC-VYDXJSESSA-N 1 3 309.454 0.753 20 0 DCADHO COCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091737944 768025501 /nfs/dbraw/zinc/02/55/01/768025501.db2.gz KXLNLOOYTCLJNC-VYDXJSESSA-N 1 3 309.454 0.753 20 0 DCADHO COC[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979765 761629537 /nfs/dbraw/zinc/62/95/37/761629537.db2.gz CFGWRXYUGVPRFW-KBXIAJHMSA-N 1 3 313.442 0.321 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001112568041 761696331 /nfs/dbraw/zinc/69/63/31/761696331.db2.gz UQDUPNWYWBYVOY-ZQIUZPCESA-N 1 3 324.469 0.420 20 0 DCADHO CN(c1ccc(C(=O)NC2CCN(C)CC2)nn1)C(C)(C)C[NH3+] ZINC001170055808 761705199 /nfs/dbraw/zinc/70/51/99/761705199.db2.gz KCRQPCSKPYQAEI-UHFFFAOYSA-N 1 3 320.441 0.474 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001071256283 761747052 /nfs/dbraw/zinc/74/70/52/761747052.db2.gz PYXZIMWZUHJTEY-GDBMZVCRSA-N 1 3 324.469 0.386 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086552073 761842008 /nfs/dbraw/zinc/84/20/08/761842008.db2.gz UWBGHOIEYQAXON-JHJVBQTASA-N 1 3 323.466 0.783 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086552073 761842019 /nfs/dbraw/zinc/84/20/19/761842019.db2.gz UWBGHOIEYQAXON-JHJVBQTASA-N 1 3 323.466 0.783 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1)C1CC1 ZINC001099262951 762849086 /nfs/dbraw/zinc/84/90/86/762849086.db2.gz MJLQCFURDCHANV-UTUOFQBUSA-N 1 3 323.359 0.298 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001129409998 762930566 /nfs/dbraw/zinc/93/05/66/762930566.db2.gz AJWMADJPYAIRCQ-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)N1CCCC1 ZINC001129409998 762930573 /nfs/dbraw/zinc/93/05/73/762930573.db2.gz AJWMADJPYAIRCQ-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435651 762942011 /nfs/dbraw/zinc/94/20/11/762942011.db2.gz IGUMOZBOWXEETR-XJKSGUPXSA-N 1 3 324.469 0.433 20 0 DCADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949349 763055072 /nfs/dbraw/zinc/05/50/72/763055072.db2.gz BNCPYMCRWHEXOZ-KGLIPLIRSA-N 1 3 314.474 0.583 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1 ZINC001130107567 763127346 /nfs/dbraw/zinc/12/73/46/763127346.db2.gz RBSPZKGLGMNDSA-CABCVRRESA-N 1 3 322.457 0.617 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC1CCCC1)N(C)C ZINC001130201218 763184343 /nfs/dbraw/zinc/18/43/43/763184343.db2.gz YDRFDOWGQNWJLD-TZMCWYRMSA-N 1 3 312.458 0.480 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001130421812 763294046 /nfs/dbraw/zinc/29/40/46/763294046.db2.gz KBQCTYSFJGYRAI-UHFFFAOYSA-N 1 3 320.437 0.722 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001130421812 763294053 /nfs/dbraw/zinc/29/40/53/763294053.db2.gz KBQCTYSFJGYRAI-UHFFFAOYSA-N 1 3 320.437 0.722 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O)N1CCCC1 ZINC001090490029 763431321 /nfs/dbraw/zinc/43/13/21/763431321.db2.gz QFXVFWKGPFCCIM-GJZGRUSLSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O)N1CCCC1 ZINC001090490029 763431323 /nfs/dbraw/zinc/43/13/23/763431323.db2.gz QFXVFWKGPFCCIM-GJZGRUSLSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001130711118 763451357 /nfs/dbraw/zinc/45/13/57/763451357.db2.gz OAGGGNBUODVHFC-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1cnn(C)c1 ZINC001130711118 763451358 /nfs/dbraw/zinc/45/13/58/763451358.db2.gz OAGGGNBUODVHFC-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO CN(C)C1(C(=O)NCC2CC([NH2+]C[C@H]3CCOC3)C2)CCC1 ZINC001100404589 763555022 /nfs/dbraw/zinc/55/50/22/763555022.db2.gz JNILEHMIUPZAGQ-WLYUNCDWSA-N 1 3 309.454 0.992 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001100679701 763720347 /nfs/dbraw/zinc/72/03/47/763720347.db2.gz JWGMDPSVPIJJGP-SEEARECTSA-N 1 3 315.433 0.676 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001092011335 768182120 /nfs/dbraw/zinc/18/21/20/768182120.db2.gz UMPTXIXYHWMXNK-UXLLHSPISA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCCO)C[C@@]2(C)C1 ZINC001092011335 768182123 /nfs/dbraw/zinc/18/21/23/768182123.db2.gz UMPTXIXYHWMXNK-UXLLHSPISA-N 1 3 309.454 0.633 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015028 768183041 /nfs/dbraw/zinc/18/30/41/768183041.db2.gz IOHWHYWPYPWFQX-DAYGRLMNSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015028 768183046 /nfs/dbraw/zinc/18/30/46/768183046.db2.gz IOHWHYWPYPWFQX-DAYGRLMNSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCc1cnn(C)c1 ZINC001132278472 764360847 /nfs/dbraw/zinc/36/08/47/764360847.db2.gz PKFSYYUAOQKSDA-GDBMZVCRSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H]1CN(Cc2ccnn2C)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290586 764579611 /nfs/dbraw/zinc/57/96/11/764579611.db2.gz KVNCEUFPYDTYKV-HUUCEWRRSA-N 1 3 321.469 0.946 20 0 DCADHO CCc1nocc1C[NH2+]CCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132858658 764685727 /nfs/dbraw/zinc/68/57/27/764685727.db2.gz DLPOAMHEZPOILG-OAHLLOKOSA-N 1 3 324.425 0.552 20 0 DCADHO Cc1cc(CNCCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)on1 ZINC001132858866 764685906 /nfs/dbraw/zinc/68/59/06/764685906.db2.gz MLBJFJUDPGOKHC-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO Cc1cc(CNCCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)on1 ZINC001132858866 764685908 /nfs/dbraw/zinc/68/59/08/764685908.db2.gz MLBJFJUDPGOKHC-CQSZACIVSA-N 1 3 310.398 0.298 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132883514 764706291 /nfs/dbraw/zinc/70/62/91/764706291.db2.gz HDILIFPUTNGTLY-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001132892870 764711617 /nfs/dbraw/zinc/71/16/17/764711617.db2.gz DHRHMKJTKPNNBY-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@H](NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001132892870 764711627 /nfs/dbraw/zinc/71/16/27/764711627.db2.gz DHRHMKJTKPNNBY-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)N2CCCCC2)CC1 ZINC001132992560 764781341 /nfs/dbraw/zinc/78/13/41/764781341.db2.gz BWVLYRPLJNEHBP-UHFFFAOYSA-N 1 3 310.442 0.047 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995441 764784349 /nfs/dbraw/zinc/78/43/49/764784349.db2.gz SWGHOIZASJFMAK-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001133122952 764836896 /nfs/dbraw/zinc/83/68/96/764836896.db2.gz WLSXIAFXHQZBEI-UONOGXRCSA-N 1 3 324.469 0.278 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001133194852 764869531 /nfs/dbraw/zinc/86/95/31/764869531.db2.gz LUXOSSVOYITGOU-LSDHHAIUSA-N 1 3 324.469 0.278 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083756 764937678 /nfs/dbraw/zinc/93/76/78/764937678.db2.gz HXGOPWQIFWCACG-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103083756 764937687 /nfs/dbraw/zinc/93/76/87/764937687.db2.gz HXGOPWQIFWCACG-MGPQQGTHSA-N 1 3 324.469 0.419 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001133433970 764966913 /nfs/dbraw/zinc/96/69/13/764966913.db2.gz FUQJHGWELKRPQM-OAHLLOKOSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NCCN[C@@H]1CCCN(C)C1=O)[NH+](CC)CC ZINC001133685687 765093454 /nfs/dbraw/zinc/09/34/54/765093454.db2.gz ZNWBPMFYSSZZLY-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCC[C@H]1C ZINC001133830736 765161534 /nfs/dbraw/zinc/16/15/34/765161534.db2.gz CNLFYVSASNOEKQ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCC[C@H]1C ZINC001133830736 765161537 /nfs/dbraw/zinc/16/15/37/765161537.db2.gz CNLFYVSASNOEKQ-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834421 765165407 /nfs/dbraw/zinc/16/54/07/765165407.db2.gz XGBDOUFBNBOHOF-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834421 765165413 /nfs/dbraw/zinc/16/54/13/765165413.db2.gz XGBDOUFBNBOHOF-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133850949 765170814 /nfs/dbraw/zinc/17/08/14/765170814.db2.gz SBVGYTXZQQIERS-GJZGRUSLSA-N 1 3 315.458 0.068 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)CN2CC[C@H](C)C2)n1 ZINC001133846347 765179678 /nfs/dbraw/zinc/17/96/78/765179678.db2.gz ZEWVJRJQJPIDBE-ZDUSSCGKSA-N 1 3 307.442 0.548 20 0 DCADHO CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C)c1nccn12 ZINC001092355699 768271484 /nfs/dbraw/zinc/27/14/84/768271484.db2.gz YRKIAWAPLBKILT-KBPBESRZSA-N 1 3 317.437 0.959 20 0 DCADHO Cn1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cc1=O ZINC001133872791 765203313 /nfs/dbraw/zinc/20/33/13/765203313.db2.gz BEJWEKLHEQALLK-UHFFFAOYSA-N 1 3 320.437 0.323 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCCS(C)(=O)=O)CC(C)(C)C ZINC001133908312 765221577 /nfs/dbraw/zinc/22/15/77/765221577.db2.gz MFMSIXMEZDNGFO-UHFFFAOYSA-N 1 3 321.487 0.105 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]CCOC[C@H]1CCCO1)N(C)C ZINC001133965792 765259064 /nfs/dbraw/zinc/25/90/64/765259064.db2.gz KASJKZVJMLGVRV-KGLIPLIRSA-N 1 3 301.431 0.228 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC)N(C)C ZINC001133967754 765259740 /nfs/dbraw/zinc/25/97/40/765259740.db2.gz CFFDWRCXLFFUAD-STQMWFEESA-N 1 3 314.474 0.726 20 0 DCADHO CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1nccn12 ZINC001092377764 768282901 /nfs/dbraw/zinc/28/29/01/768282901.db2.gz BUXSFLOFFHLQCT-KGLIPLIRSA-N 1 3 317.437 0.959 20 0 DCADHO CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1nccn12 ZINC001092377764 768282905 /nfs/dbraw/zinc/28/29/05/768282905.db2.gz BUXSFLOFFHLQCT-KGLIPLIRSA-N 1 3 317.437 0.959 20 0 DCADHO C[C@@H](C(=O)NCCNCc1cncn1C)[NH+]1CCCCCC1 ZINC001134750306 765654735 /nfs/dbraw/zinc/65/47/35/765654735.db2.gz UEXDWOGUPVYXLC-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001134766575 765661293 /nfs/dbraw/zinc/66/12/93/765661293.db2.gz IZJIXILUCKHRKE-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCn1cncn1 ZINC001134767005 765662625 /nfs/dbraw/zinc/66/26/25/765662625.db2.gz PKQUQRIVSJNEEX-CQSZACIVSA-N 1 3 308.430 0.247 20 0 DCADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NCC2CCC2)CC1 ZINC001134775930 765669011 /nfs/dbraw/zinc/66/90/11/765669011.db2.gz DDHQHOKELYMXIT-UHFFFAOYSA-N 1 3 324.469 0.340 20 0 DCADHO COCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304738 765686757 /nfs/dbraw/zinc/68/67/57/765686757.db2.gz VDBZKVIPLKTVSX-FOLVSLTJSA-N 1 3 313.442 0.036 20 0 DCADHO COCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C(C)C ZINC001115304738 765686761 /nfs/dbraw/zinc/68/67/61/765686761.db2.gz VDBZKVIPLKTVSX-FOLVSLTJSA-N 1 3 313.442 0.036 20 0 DCADHO CC(C)N1CCN(c2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)cn2)CC1 ZINC001170778251 765725375 /nfs/dbraw/zinc/72/53/75/765725375.db2.gz GDEOFZQWMRYZTQ-GOEBONIOSA-N 1 3 319.453 0.604 20 0 DCADHO OC[C@@H]1C[NH2+]C[C@@H]1Nc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001170780882 765734403 /nfs/dbraw/zinc/73/44/03/765734403.db2.gz IMUDZRFGKHIOBN-CWRNSKLLSA-N 1 3 316.405 0.592 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001135508342 765953024 /nfs/dbraw/zinc/95/30/24/765953024.db2.gz LRMQXJVYJWBXDB-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092603079 768348593 /nfs/dbraw/zinc/34/85/93/768348593.db2.gz SWTYITVPVQZTDP-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092603079 768348601 /nfs/dbraw/zinc/34/86/01/768348601.db2.gz SWTYITVPVQZTDP-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCn1cncn1 ZINC001136035889 766218512 /nfs/dbraw/zinc/21/85/12/766218512.db2.gz RYVYOVIYNBRTCR-NWDGAFQWSA-N 1 3 319.413 0.425 20 0 DCADHO CON(C)C(=O)[C@@H]1CCc2cc(N[C@@H](N)CCC[NH3+])ccc2O1 ZINC001170903462 766251403 /nfs/dbraw/zinc/25/14/03/766251403.db2.gz JYLIENOCEGFMNH-LSDHHAIUSA-N 1 3 322.409 0.836 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCOCC(F)F)C1CCC1 ZINC001159997816 766337626 /nfs/dbraw/zinc/33/76/26/766337626.db2.gz ZISLNHUPFAMXJK-UHFFFAOYSA-N 1 3 307.385 0.848 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192596 769034069 /nfs/dbraw/zinc/03/40/69/769034069.db2.gz GNEDJIYUZHACQQ-AWEZNQCLSA-N 1 3 301.431 0.182 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC001171225939 767048565 /nfs/dbraw/zinc/04/85/65/767048565.db2.gz BRUAJMHUWAJIIA-AWEZNQCLSA-N 1 3 305.426 0.723 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)ncn1 ZINC001171225939 767048573 /nfs/dbraw/zinc/04/85/73/767048573.db2.gz BRUAJMHUWAJIIA-AWEZNQCLSA-N 1 3 305.426 0.723 20 0 DCADHO C[C@@H](NCCCNC(=O)C[C@H]1CC[N@H+](C)C1)c1cnccn1 ZINC001171226413 767049127 /nfs/dbraw/zinc/04/91/27/767049127.db2.gz GLBSAFMRCNDYBK-ZIAGYGMSSA-N 1 3 305.426 0.975 20 0 DCADHO C[C@@H](NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1cnccn1 ZINC001171226413 767049144 /nfs/dbraw/zinc/04/91/44/767049144.db2.gz GLBSAFMRCNDYBK-ZIAGYGMSSA-N 1 3 305.426 0.975 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001171228880 767058703 /nfs/dbraw/zinc/05/87/03/767058703.db2.gz VSUIQHDCODWLMK-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CCn1ccc(CNCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001171228880 767058712 /nfs/dbraw/zinc/05/87/12/767058712.db2.gz VSUIQHDCODWLMK-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001171235055 767083782 /nfs/dbraw/zinc/08/37/82/767083782.db2.gz CWHFMIMJAUETLG-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccn(C)n1)NC(=O)CN1CCCC1 ZINC001146340905 767439089 /nfs/dbraw/zinc/43/90/89/767439089.db2.gz UKAHCNRICAVDEM-ZIAGYGMSSA-N 1 3 307.442 0.889 20 0 DCADHO CN(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CCCO)C2)C1CC1 ZINC001121245411 767480364 /nfs/dbraw/zinc/48/03/64/767480364.db2.gz FLRPSLVMYFCGKU-LETWWHAPSA-N 1 3 309.454 0.726 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2)N(C)C ZINC001121288789 767498669 /nfs/dbraw/zinc/49/86/69/767498669.db2.gz KCFNFAYXRIJLNW-UNQVCFILSA-N 1 3 310.442 0.217 20 0 DCADHO CNC(=O)C[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122248497 767750693 /nfs/dbraw/zinc/75/06/93/767750693.db2.gz JREFSKYUULQNCI-UHFFFAOYSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773912 768398187 /nfs/dbraw/zinc/39/81/87/768398187.db2.gz ZQOSYCONHHECTO-HZSPNIEDSA-N 1 3 322.453 0.173 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203103251 768571974 /nfs/dbraw/zinc/57/19/74/768571974.db2.gz KRSGKMLPUMWHOH-CHWSQXEVSA-N 1 3 324.469 0.480 20 0 DCADHO CC[NH+](CC)C1CCN(C(=O)CCN2CCN(C)CC2)CC1 ZINC001143230688 768697634 /nfs/dbraw/zinc/69/76/34/768697634.db2.gz KZLNKBFKRQEBDP-UHFFFAOYSA-N 1 3 310.486 0.957 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1)N(C)C ZINC001094049452 768834773 /nfs/dbraw/zinc/83/47/73/768834773.db2.gz SZOBRAWUMUPFRS-NFAWXSAZSA-N 1 3 322.457 0.339 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)[nH]1 ZINC001094219811 768886309 /nfs/dbraw/zinc/88/63/09/768886309.db2.gz RNELRTYTMWVCTC-MRVWCRGKSA-N 1 3 320.441 0.249 20 0 DCADHO Cc1nnc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)[nH]1 ZINC001094219811 768886321 /nfs/dbraw/zinc/88/63/21/768886321.db2.gz RNELRTYTMWVCTC-MRVWCRGKSA-N 1 3 320.441 0.249 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1ccn(C)n1 ZINC001094219972 768887390 /nfs/dbraw/zinc/88/73/90/768887390.db2.gz YLXQLMLKYMNZDE-RBSFLKMASA-N 1 3 319.453 0.556 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1ccn(C)n1 ZINC001094219972 768887400 /nfs/dbraw/zinc/88/74/00/768887400.db2.gz YLXQLMLKYMNZDE-RBSFLKMASA-N 1 3 319.453 0.556 20 0 DCADHO CC(C)CN1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094278147 768944478 /nfs/dbraw/zinc/94/44/78/768944478.db2.gz ADQDGMXQYBQTCW-HNNXBMFYSA-N 1 3 320.441 0.501 20 0 DCADHO CC(C)CN1CC(n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001094278147 768944484 /nfs/dbraw/zinc/94/44/84/768944484.db2.gz ADQDGMXQYBQTCW-HNNXBMFYSA-N 1 3 320.441 0.501 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CCCF)CCCO2)C1 ZINC001150333373 769067983 /nfs/dbraw/zinc/06/79/83/769067983.db2.gz MLDFGYWZAHVWCW-GJZGRUSLSA-N 1 3 315.433 0.895 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CCCF)CCCO2)C1 ZINC001150333373 769067994 /nfs/dbraw/zinc/06/79/94/769067994.db2.gz MLDFGYWZAHVWCW-GJZGRUSLSA-N 1 3 315.433 0.895 20 0 DCADHO CCOCCN1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150546816 769120796 /nfs/dbraw/zinc/12/07/96/769120796.db2.gz JKWJJNNLXVCDON-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CCOCCN1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150546816 769120801 /nfs/dbraw/zinc/12/08/01/769120801.db2.gz JKWJJNNLXVCDON-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO CC(=O)Nc1cccc(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001151048385 769243900 /nfs/dbraw/zinc/24/39/00/769243900.db2.gz ARALURZGLFPLPU-OAHLLOKOSA-N 1 3 318.421 0.803 20 0 DCADHO CC(=O)Nc1cccc(CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001151048385 769243908 /nfs/dbraw/zinc/24/39/08/769243908.db2.gz ARALURZGLFPLPU-OAHLLOKOSA-N 1 3 318.421 0.803 20 0 DCADHO CC[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065510 769250486 /nfs/dbraw/zinc/25/04/86/769250486.db2.gz KMVROOHSGRXDTA-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H]1CCCCN1C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065510 769250494 /nfs/dbraw/zinc/25/04/94/769250494.db2.gz KMVROOHSGRXDTA-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074460 769252963 /nfs/dbraw/zinc/25/29/63/769252963.db2.gz ZDXRWTPMRJKTBY-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151074460 769252966 /nfs/dbraw/zinc/25/29/66/769252966.db2.gz ZDXRWTPMRJKTBY-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CN1CCOCC1)C(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001151157059 769278598 /nfs/dbraw/zinc/27/85/98/769278598.db2.gz JRTCJGXXTITZQX-KBPBESRZSA-N 1 3 321.425 0.212 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H](C)C[NH+]2CCOCC2)o1 ZINC001151159844 769278908 /nfs/dbraw/zinc/27/89/08/769278908.db2.gz URRCBEQUJXBAEJ-GFCCVEGCSA-N 1 3 310.398 0.157 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCOCCO)N(C)C ZINC001171509193 769313315 /nfs/dbraw/zinc/31/33/15/769313315.db2.gz MYAMNKIAVOJNNT-HUUCEWRRSA-N 1 3 317.474 0.600 20 0 DCADHO C[C@H](NCCNC(=O)CCC[NH+]1CCCCC1)C(=O)NC1CC1 ZINC001151362655 769323301 /nfs/dbraw/zinc/32/33/01/769323301.db2.gz ZTGDHXUMNQEZFF-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001171758005 769367462 /nfs/dbraw/zinc/36/74/62/769367462.db2.gz SGLRZZITJSDHSS-UHFFFAOYSA-N 1 3 308.426 0.323 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001171762825 769370093 /nfs/dbraw/zinc/37/00/93/769370093.db2.gz MPVVKTYWDMCARL-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001171769631 769373074 /nfs/dbraw/zinc/37/30/74/769373074.db2.gz BLNFTLVRJYLHBE-CYBMUJFWSA-N 1 3 314.474 0.727 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)CCC ZINC001171769788 769373332 /nfs/dbraw/zinc/37/33/32/769373332.db2.gz FKGXHFWBOWZGME-AWEZNQCLSA-N 1 3 314.474 0.729 20 0 DCADHO C[NH+](C)CCN1CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)CCC1=O ZINC001172180749 769455503 /nfs/dbraw/zinc/45/55/03/769455503.db2.gz UZIPEBZDIFXFOP-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCN1CC[N@@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)CCC1=O ZINC001172180749 769455509 /nfs/dbraw/zinc/45/55/09/769455509.db2.gz UZIPEBZDIFXFOP-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CN(C)CCN1CC[N@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)CCC1=O ZINC001172180749 769455513 /nfs/dbraw/zinc/45/55/13/769455513.db2.gz UZIPEBZDIFXFOP-CABCVRRESA-N 1 3 322.453 0.236 20 0 DCADHO CCCC[C@@H](NCCNC(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001152347435 769532688 /nfs/dbraw/zinc/53/26/88/769532688.db2.gz FVZABUWWYVGALW-CQSZACIVSA-N 1 3 312.458 0.612 20 0 DCADHO CC(C)N(C)CC(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001152432091 769553583 /nfs/dbraw/zinc/55/35/83/769553583.db2.gz FMBYORLQKIRDKV-AWEZNQCLSA-N 1 3 301.431 0.228 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001152473041 769571278 /nfs/dbraw/zinc/57/12/78/769571278.db2.gz UWPBVUMJDOWWNW-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNCc1cnn(C)c1)[NH+]1CCCC1 ZINC001152472614 769571915 /nfs/dbraw/zinc/57/19/15/769571915.db2.gz RZLOKUHWRKJAKT-HNNXBMFYSA-N 1 3 307.442 0.746 20 0 DCADHO COC(=O)[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C)C2)C[C@@H]1C(=O)OC ZINC001173566007 769657923 /nfs/dbraw/zinc/65/79/23/769657923.db2.gz XYJKHBPCOJNTIR-YIYPIFLZSA-N 1 3 312.410 0.659 20 0 DCADHO COC(=O)[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C(=O)OC ZINC001173566007 769657930 /nfs/dbraw/zinc/65/79/30/769657930.db2.gz XYJKHBPCOJNTIR-YIYPIFLZSA-N 1 3 312.410 0.659 20 0 DCADHO COC(=O)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCN2C)C[C@@H]1C(=O)OC ZINC001173568590 769662644 /nfs/dbraw/zinc/66/26/44/769662644.db2.gz YSEVRKVNQRVOGR-FQUUOJAGSA-N 1 3 312.410 0.801 20 0 DCADHO COCCC1([NH3+])CCN([C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173741246 769707202 /nfs/dbraw/zinc/70/72/02/769707202.db2.gz BMVIXNQCYHWWEP-ZIAGYGMSSA-N 1 3 308.430 0.987 20 0 DCADHO COCCN1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291198 769727261 /nfs/dbraw/zinc/72/72/61/769727261.db2.gz LGPQDQQDJYASMC-LSDHHAIUSA-N 1 3 315.458 0.426 20 0 DCADHO c1cc2n(c1CN1CCCO[C@]3(C[NH2+]CCOC3)C1)CCNC2 ZINC001235198085 769776777 /nfs/dbraw/zinc/77/67/77/769776777.db2.gz CLNWHZSUJMDOFA-QGZVFWFLSA-N 1 3 320.437 0.172 20 0 DCADHO OC1([C@H]2CCCC[NH2+]2)CN(Cc2nc3c(s2)CNCC3)C1 ZINC001236165063 769981066 /nfs/dbraw/zinc/98/10/66/769981066.db2.gz HUUMVSYORQWNNF-CYBMUJFWSA-N 1 3 308.451 0.478 20 0 DCADHO COC(=O)c1cccc([C@H]2C[NH2+]CCN2C[C@@H]2CNCCO2)c1 ZINC001237436002 770041252 /nfs/dbraw/zinc/04/12/52/770041252.db2.gz MVNPNTAIEIULAW-JKSUJKDBSA-N 1 3 319.405 0.408 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150590099 770095270 /nfs/dbraw/zinc/09/52/70/770095270.db2.gz YQAAVHICVQQHQZ-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO COCCN1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150590099 770095282 /nfs/dbraw/zinc/09/52/82/770095282.db2.gz YQAAVHICVQQHQZ-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO COc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1F ZINC001238878417 770140327 /nfs/dbraw/zinc/14/03/27/770140327.db2.gz FMMDRRDUMQXUMR-UHFFFAOYSA-N 1 3 319.402 0.441 20 0 DCADHO NCCS(=O)(=O)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001238913142 770146438 /nfs/dbraw/zinc/14/64/38/770146438.db2.gz RYKPHPCQFWUNRA-ZDUSSCGKSA-N 1 3 301.456 0.685 20 0 DCADHO NCCS(=O)(=O)N1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001239061064 770172821 /nfs/dbraw/zinc/17/28/21/770172821.db2.gz VWSOAMBNVJVKPV-HUUCEWRRSA-N 1 3 309.435 0.497 20 0 DCADHO NCCS(=O)(=O)N(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001239142186 770194010 /nfs/dbraw/zinc/19/40/10/770194010.db2.gz TYGRHVJAQZSQCX-AWEZNQCLSA-N 1 3 315.414 0.668 20 0 DCADHO C[C@H]([NH2+]CCCNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001176890038 770212039 /nfs/dbraw/zinc/21/20/39/770212039.db2.gz KPVKDWCJDWONSR-LBPRGKRZSA-N 1 3 306.410 0.332 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176986466 770274764 /nfs/dbraw/zinc/27/47/64/770274764.db2.gz PDGMPKJWCJFYSB-ZDUSSCGKSA-N 1 3 319.471 0.001 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001176992210 770282728 /nfs/dbraw/zinc/28/27/28/770282728.db2.gz JOAOGIHDJCYQBU-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCc1ccco1 ZINC001155789232 770617128 /nfs/dbraw/zinc/61/71/28/770617128.db2.gz CJNZYEBNEBLWTJ-AWEZNQCLSA-N 1 3 322.409 0.086 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC(C)(C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC001178356229 770731565 /nfs/dbraw/zinc/73/15/65/770731565.db2.gz JOALMAHPTRJKFY-IHRRRGAJSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]([NH2+]CCCCCCNC(=O)[C@H](C1CC1)N(C)C)C(N)=O ZINC001178698394 770841824 /nfs/dbraw/zinc/84/18/24/770841824.db2.gz GCGUOAOGLPNWMP-OCCSQVGLSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)[C@@H]2C)CC[N@@H+]1C ZINC001178731608 770848129 /nfs/dbraw/zinc/84/81/29/770848129.db2.gz ZRMMRRGRMOBVLY-OSRDXIQISA-N 1 3 322.453 0.184 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)NC3CC3)[C@@H]2C)CC[N@H+]1C ZINC001178731608 770848141 /nfs/dbraw/zinc/84/81/41/770848141.db2.gz ZRMMRRGRMOBVLY-OSRDXIQISA-N 1 3 322.453 0.184 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178759617 770855367 /nfs/dbraw/zinc/85/53/67/770855367.db2.gz NSGGWKBQSKJMEF-HNNXBMFYSA-N 1 3 314.474 0.585 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178853353 770882866 /nfs/dbraw/zinc/88/28/66/770882866.db2.gz HQGANXPITJCZLA-UHFFFAOYSA-N 1 3 300.447 0.468 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178891015 770890013 /nfs/dbraw/zinc/89/00/13/770890013.db2.gz LYVCDZBREYKPAN-ZNMIVQPWSA-N 1 3 324.469 0.574 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178891015 770890031 /nfs/dbraw/zinc/89/00/31/770890031.db2.gz LYVCDZBREYKPAN-ZNMIVQPWSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(=O)N(C)C ZINC001179434930 771004172 /nfs/dbraw/zinc/00/41/72/771004172.db2.gz FBCJEXDTPNZZNT-IHRRRGAJSA-N 1 3 324.469 0.384 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)[C@@H]1C ZINC001179762992 771013366 /nfs/dbraw/zinc/01/33/66/771013366.db2.gz DRRRJFUCEMUZED-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180135553 771061409 /nfs/dbraw/zinc/06/14/09/771061409.db2.gz IMTMJGKECHZVQD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCc2cnn(C(C)(C)C)c2)C1 ZINC001151064992 771356241 /nfs/dbraw/zinc/35/62/41/771356241.db2.gz GSQGTVRSEUDHQO-CQSZACIVSA-N 1 3 307.442 0.796 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCNCc2cnn(C(C)(C)C)c2)C1 ZINC001151064992 771356248 /nfs/dbraw/zinc/35/62/48/771356248.db2.gz GSQGTVRSEUDHQO-CQSZACIVSA-N 1 3 307.442 0.796 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCCCCC2)C1 ZINC001151066563 771359787 /nfs/dbraw/zinc/35/97/87/771359787.db2.gz WKPYBCGQYZJYAJ-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCCCCCC2)C1 ZINC001151066563 771359792 /nfs/dbraw/zinc/35/97/92/771359792.db2.gz WKPYBCGQYZJYAJ-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)CCC1 ZINC001183240671 771627664 /nfs/dbraw/zinc/62/76/64/771627664.db2.gz PDHDHHIJFXOHAC-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267234 771631166 /nfs/dbraw/zinc/63/11/66/771631166.db2.gz KDPDRIZQRPJITO-GDBMZVCRSA-N 1 3 324.469 0.289 20 0 DCADHO N[C@]1(C(=O)N2CCN(CC3CCCCC3)CC2)CCC[NH2+]C1 ZINC001157579509 771636162 /nfs/dbraw/zinc/63/61/62/771636162.db2.gz NXBSBKYTCGCOPI-QGZVFWFLSA-N 1 3 308.470 0.792 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC001157721430 771659467 /nfs/dbraw/zinc/65/94/67/771659467.db2.gz XTHXAVHHFWDGMN-MRXNPFEDSA-N 1 3 318.421 0.157 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC001157721429 771659519 /nfs/dbraw/zinc/65/95/19/771659519.db2.gz XTHXAVHHFWDGMN-INIZCTEOSA-N 1 3 318.421 0.157 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001183759501 771697049 /nfs/dbraw/zinc/69/70/49/771697049.db2.gz LHBKSWZSICIZRF-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO Cc1ncn(-c2ncnc3c2CCNC3)c1CSCC[NH3+] ZINC001157961390 771703282 /nfs/dbraw/zinc/70/32/82/771703282.db2.gz BZMVYKJVGGLSHI-UHFFFAOYSA-N 1 3 304.423 0.808 20 0 DCADHO O=C(c1ncn2c1C[NH2+]CC2)N1CCNC[C@H]1c1ccccc1 ZINC001157968426 771704586 /nfs/dbraw/zinc/70/45/86/771704586.db2.gz FCQJLHKNAHMANB-AWEZNQCLSA-N 1 3 311.389 0.773 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)on1 ZINC001158197329 771738852 /nfs/dbraw/zinc/73/88/52/771738852.db2.gz WRXJCDDVLAJRAX-OAHLLOKOSA-N 1 3 306.410 0.921 20 0 DCADHO O=C(NCCCNCc1cnns1)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197265 771739146 /nfs/dbraw/zinc/73/91/46/771739146.db2.gz VBBRXYAIXFNTND-CYBMUJFWSA-N 1 3 309.439 0.476 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158506183 771783783 /nfs/dbraw/zinc/78/37/83/771783783.db2.gz JERTXXHTTMYMSO-DZGCQCFKSA-N 1 3 322.409 0.442 20 0 DCADHO Cc1ncoc1CNCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158506183 771783786 /nfs/dbraw/zinc/78/37/86/771783786.db2.gz JERTXXHTTMYMSO-DZGCQCFKSA-N 1 3 322.409 0.442 20 0 DCADHO COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184423134 771787075 /nfs/dbraw/zinc/78/70/75/771787075.db2.gz AWXOQNBNIDXMSU-DGNOSDGRSA-N 1 3 323.437 0.077 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)C[C@@H]3CCNC[C@@H]3F)C[C@@H]2CF)CC1 ZINC001158577162 771792343 /nfs/dbraw/zinc/79/23/43/771792343.db2.gz GVRYRPKSTGXQOU-RVMXOQNASA-N 1 3 301.381 0.860 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184555442 771798374 /nfs/dbraw/zinc/79/83/74/771798374.db2.gz LDWOLTVCCSZHQY-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001185264121 771893789 /nfs/dbraw/zinc/89/37/89/771893789.db2.gz AOBDEURKPIUHGW-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C1CC1 ZINC001185385582 771909530 /nfs/dbraw/zinc/90/95/30/771909530.db2.gz SZELWVJAMAUEDZ-CQSZACIVSA-N 1 3 322.453 0.140 20 0 DCADHO COC(=O)c1c[nH]c2ncnc(NCCOCCOCC[NH3+])c12 ZINC001159445640 771911085 /nfs/dbraw/zinc/91/10/85/771911085.db2.gz QEQBTLIJHZOPKT-UHFFFAOYSA-N 1 3 323.353 0.100 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400545 771911194 /nfs/dbraw/zinc/91/11/94/771911194.db2.gz BWWCOBIJOYAXHJ-ZIAGYGMSSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCc2nc(C)no2)C1)N(C)C ZINC001185716418 771948557 /nfs/dbraw/zinc/94/85/57/771948557.db2.gz XBYWOSUGMHRJOY-KGLIPLIRSA-N 1 3 323.441 0.841 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001185716389 771948712 /nfs/dbraw/zinc/94/87/12/771948712.db2.gz VZVUAXRGWMFMGG-YUTCNCBUSA-N 1 3 310.442 0.184 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)CC(C)(C)C ZINC001185724250 771950257 /nfs/dbraw/zinc/95/02/57/771950257.db2.gz WGNUZZISDJLTNM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)CCC[NH3+])CC[C@@H]21 ZINC001159783746 771957481 /nfs/dbraw/zinc/95/74/81/771957481.db2.gz WWQGCGNBQYPPEM-RDBSUJKOSA-N 1 3 310.442 0.158 20 0 DCADHO CN(C)C1(C(=O)NCCC[NH2+]CC(=O)NC2CCCC2)CCC1 ZINC001159853287 771968541 /nfs/dbraw/zinc/96/85/41/771968541.db2.gz BSCVWOOQRLUASA-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915036 771976667 /nfs/dbraw/zinc/97/66/67/771976667.db2.gz GTDIDHUSCDVYRC-HNNXBMFYSA-N 1 3 307.442 0.839 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cn1 ZINC001159932971 771980444 /nfs/dbraw/zinc/98/04/44/771980444.db2.gz XDZHKWXYZAIZQU-OAHLLOKOSA-N 1 3 305.426 0.721 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)C1=O ZINC001159933004 771981332 /nfs/dbraw/zinc/98/13/32/771981332.db2.gz XSARWMNVYHANLE-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001160003136 771986304 /nfs/dbraw/zinc/98/63/04/771986304.db2.gz DUZJVLAWHVDCSK-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO COCCOCC[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997603 771986486 /nfs/dbraw/zinc/98/64/86/771986486.db2.gz TXBQKYAJNVIZLF-UHFFFAOYSA-N 1 3 301.431 0.230 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(N)=O ZINC001160003133 771986489 /nfs/dbraw/zinc/98/64/89/771986489.db2.gz DTDUNVXFSBEHEJ-AWEZNQCLSA-N 1 3 312.458 0.611 20 0 DCADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001160420406 772034616 /nfs/dbraw/zinc/03/46/16/772034616.db2.gz DOFWFRLVCCTKOZ-INIZCTEOSA-N 1 3 322.453 0.567 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160581570 772070816 /nfs/dbraw/zinc/07/08/16/772070816.db2.gz GUMBBUBTKTWVEB-KGLIPLIRSA-N 1 3 323.437 0.805 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160581570 772070823 /nfs/dbraw/zinc/07/08/23/772070823.db2.gz GUMBBUBTKTWVEB-KGLIPLIRSA-N 1 3 323.437 0.805 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186738045 772080149 /nfs/dbraw/zinc/08/01/49/772080149.db2.gz DPYKEAMNOZDYGZ-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)C1(C)CN(C(=O)[C@@H](N)Cc2c[nH]c3ncccc23)C1 ZINC001160644280 772084689 /nfs/dbraw/zinc/08/46/89/772084689.db2.gz BJWSTXVJBRIQLB-ZDUSSCGKSA-N 1 3 301.394 0.595 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001187106490 772131437 /nfs/dbraw/zinc/13/14/37/772131437.db2.gz IDSHITHLTFJHKI-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NC(C)(C)C)C2)C1 ZINC001187106490 772131440 /nfs/dbraw/zinc/13/14/40/772131440.db2.gz IDSHITHLTFJHKI-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCc1ccco1)N(C)C ZINC001160883010 772132245 /nfs/dbraw/zinc/13/22/45/772132245.db2.gz FHHNMKRDEWVUPZ-CQSZACIVSA-N 1 3 324.425 0.332 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(CC)CC)N(C)C ZINC001160889532 772132839 /nfs/dbraw/zinc/13/28/39/772132839.db2.gz MGXSIMNNPXGCRQ-UONOGXRCSA-N 1 3 314.474 0.679 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(CCO)CC(F)(F)F ZINC001160909187 772137164 /nfs/dbraw/zinc/13/71/64/772137164.db2.gz PUZNZAFTFRBETI-NSHDSACASA-N 1 3 313.364 0.865 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2ccc3[nH]ccc3c2)CC1 ZINC001160948623 772141323 /nfs/dbraw/zinc/14/13/23/772141323.db2.gz NOIGWIJXZCPBEB-HNNXBMFYSA-N 1 3 315.421 0.883 20 0 DCADHO COCCOc1ccccc1C(=O)N(CCCC[NH3+])C(=N)N ZINC001187212474 772155693 /nfs/dbraw/zinc/15/56/93/772155693.db2.gz ZGHSEAUIAHYMRD-UHFFFAOYSA-N 1 3 308.382 0.786 20 0 DCADHO CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H]1CCNC[C@@H]1F ZINC001161158107 772178220 /nfs/dbraw/zinc/17/82/20/772178220.db2.gz PQHHJFIAIYVDTA-NEPJUHHUSA-N 1 3 303.378 0.065 20 0 DCADHO CN(CCN(C)C(=O)[C@]12C[NH2+]C[C@H]1CCN2)Cc1ccccc1 ZINC001161161437 772178627 /nfs/dbraw/zinc/17/86/27/772178627.db2.gz TVOXODHOIOSICD-AEFFLSMTSA-N 1 3 316.449 0.528 20 0 DCADHO CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)[C@H]1CCC2(C1)OCCO2 ZINC001161219441 772185634 /nfs/dbraw/zinc/18/56/34/772185634.db2.gz QQHNWWMTSSQZDH-KBPBESRZSA-N 1 3 323.437 0.615 20 0 DCADHO CN(C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)[C@H]1CCC2(C1)OCCO2 ZINC001161219441 772185636 /nfs/dbraw/zinc/18/56/36/772185636.db2.gz QQHNWWMTSSQZDH-KBPBESRZSA-N 1 3 323.437 0.615 20 0 DCADHO O=C(N(C1CCC1)C1CCOCC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161460952 772226396 /nfs/dbraw/zinc/22/63/96/772226396.db2.gz POMIWXBQSMWCPO-CXAGYDPISA-N 1 3 307.438 0.746 20 0 DCADHO CO[C@@H]1CN(C(=O)[C@@]2(N)CCc3cc(F)ccc3C2)C[C@@H]1[NH3+] ZINC001161494108 772234556 /nfs/dbraw/zinc/23/45/56/772234556.db2.gz XZAFOZWSUAWHCD-SQWLQELKSA-N 1 3 307.369 0.196 20 0 DCADHO CN1CCN(CCCNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)CC1 ZINC001161708890 772270187 /nfs/dbraw/zinc/27/01/87/772270187.db2.gz WIEAVBFLIXVWRB-OAHLLOKOSA-N 1 3 320.441 0.267 20 0 DCADHO CN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001188985940 772398203 /nfs/dbraw/zinc/39/82/03/772398203.db2.gz XUJZHCSQZOPVLI-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO Cc1nc(N[C@H]2COCCC23C[NH2+]C3)cc(N2CCOCC2)n1 ZINC001163064366 772451948 /nfs/dbraw/zinc/45/19/48/772451948.db2.gz BSEWKYCRKNINTE-ZDUSSCGKSA-N 1 3 319.409 0.412 20 0 DCADHO CCN(CC)CCNC(=[NH2+])Nc1cc(C(=O)N(C)OC)ccn1 ZINC001163130100 772468740 /nfs/dbraw/zinc/46/87/40/772468740.db2.gz VCLJJRKCCZXJPJ-UHFFFAOYSA-N 1 3 322.413 0.993 20 0 DCADHO c1ncc([C@@H]2CN3CCC2CC3)nc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141184 772470937 /nfs/dbraw/zinc/47/09/37/772470937.db2.gz UGSHXGCDPXJVMH-RRCSTGOVSA-N 1 3 315.421 0.685 20 0 DCADHO Cn1nncc1CNCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297780 772500942 /nfs/dbraw/zinc/50/09/42/772500942.db2.gz SPAWZGIKTJMSBK-UHFFFAOYSA-N 1 3 322.457 0.676 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001190443534 772626051 /nfs/dbraw/zinc/62/60/51/772626051.db2.gz IPZPKIISYRJNQN-UONOGXRCSA-N 1 3 303.422 0.581 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001190443534 772626053 /nfs/dbraw/zinc/62/60/53/772626053.db2.gz IPZPKIISYRJNQN-UONOGXRCSA-N 1 3 303.422 0.581 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCNCc2nccn2C)CC[N@@H+]1C ZINC001164574582 772683143 /nfs/dbraw/zinc/68/31/43/772683143.db2.gz RDWNTJRDKQLTBG-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCNCc2nccn2C)CC[N@H+]1C ZINC001164574582 772683145 /nfs/dbraw/zinc/68/31/45/772683145.db2.gz RDWNTJRDKQLTBG-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001165728334 772758608 /nfs/dbraw/zinc/75/86/08/772758608.db2.gz PWVLMUFXOBGPCI-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001166626843 772829990 /nfs/dbraw/zinc/82/99/90/772829990.db2.gz KPYKXYHCMXDCAK-ZDUSSCGKSA-N 1 3 321.425 0.565 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[N@H+]2CCC[C@@H]2C)n1 ZINC001166626843 772829995 /nfs/dbraw/zinc/82/99/95/772829995.db2.gz KPYKXYHCMXDCAK-ZDUSSCGKSA-N 1 3 321.425 0.565 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[N@H+]2CCC[C@H]2C)nn1C ZINC001166634909 772832837 /nfs/dbraw/zinc/83/28/37/772832837.db2.gz YHFCHYPPAWTTOF-CYBMUJFWSA-N 1 3 307.442 0.809 20 0 DCADHO Cc1cc(CNCCCNC(=O)C[N@@H+]2CCC[C@H]2C)nn1C ZINC001166634909 772832840 /nfs/dbraw/zinc/83/28/40/772832840.db2.gz YHFCHYPPAWTTOF-CYBMUJFWSA-N 1 3 307.442 0.809 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166692840 772841942 /nfs/dbraw/zinc/84/19/42/772841942.db2.gz QLGJAVKNGOHIMD-CJNGLKHVSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001166692840 772841945 /nfs/dbraw/zinc/84/19/45/772841945.db2.gz QLGJAVKNGOHIMD-CJNGLKHVSA-N 1 3 319.453 0.623 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC001166695024 772843004 /nfs/dbraw/zinc/84/30/04/772843004.db2.gz ZOELFASQWFBSCX-DOMZBBRYSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC001166695024 772843007 /nfs/dbraw/zinc/84/30/07/772843007.db2.gz ZOELFASQWFBSCX-DOMZBBRYSA-N 1 3 305.426 0.579 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)nn1 ZINC001166708298 772845938 /nfs/dbraw/zinc/84/59/38/772845938.db2.gz OFLJMRVXNDGQNN-TZMCWYRMSA-N 1 3 321.425 0.279 20 0 DCADHO COc1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)nn1 ZINC001166708298 772845942 /nfs/dbraw/zinc/84/59/42/772845942.db2.gz OFLJMRVXNDGQNN-TZMCWYRMSA-N 1 3 321.425 0.279 20 0 DCADHO CCN(C)C(=O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166758942 772856569 /nfs/dbraw/zinc/85/65/69/772856569.db2.gz NLWXGJJPHYXSHR-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CC(F)(F)F)N(C)C ZINC001166858078 772871495 /nfs/dbraw/zinc/87/14/95/772871495.db2.gz MNJYVFKYTBGSLA-MNOVXSKESA-N 1 3 313.364 0.736 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCOC)C1)N(C)C ZINC001192386139 772913459 /nfs/dbraw/zinc/91/34/59/772913459.db2.gz OKGNFDQXFAIWGU-CABCVRRESA-N 1 3 315.458 0.522 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCOC)C1)N(C)C ZINC001192386139 772913462 /nfs/dbraw/zinc/91/34/62/772913462.db2.gz OKGNFDQXFAIWGU-CABCVRRESA-N 1 3 315.458 0.522 20 0 DCADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(-n3nccn3)cc2)C1 ZINC001205736463 773014950 /nfs/dbraw/zinc/01/49/50/773014950.db2.gz YIDMFAYZSREFQI-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-n3nccn3)cc2)C1 ZINC001205736463 773014956 /nfs/dbraw/zinc/01/49/56/773014956.db2.gz YIDMFAYZSREFQI-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-n3nccn3)cc2)C1 ZINC001205736463 773014960 /nfs/dbraw/zinc/01/49/60/773014960.db2.gz YIDMFAYZSREFQI-MRXNPFEDSA-N 1 3 301.394 0.943 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001206410195 773074250 /nfs/dbraw/zinc/07/42/50/773074250.db2.gz JQGLRHKDJLWHAY-ZDUSSCGKSA-N 1 3 307.398 0.044 20 0 DCADHO CCCNC(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206928933 773137582 /nfs/dbraw/zinc/13/75/82/773137582.db2.gz NWBZOTNEQRPVSQ-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC001194293106 773178568 /nfs/dbraw/zinc/17/85/68/773178568.db2.gz FERKIUKSTVVBHM-CQSZACIVSA-N 1 3 308.430 0.151 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC001194293106 773178570 /nfs/dbraw/zinc/17/85/70/773178570.db2.gz FERKIUKSTVVBHM-CQSZACIVSA-N 1 3 308.430 0.151 20 0 DCADHO OCCOCc1ncn2c1CN(CC1CC[NH2+]CC1)CCC2 ZINC001207436060 773206027 /nfs/dbraw/zinc/20/60/27/773206027.db2.gz UIQGKWSBKOEQAG-UHFFFAOYSA-N 1 3 308.426 0.597 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001208339700 773436652 /nfs/dbraw/zinc/43/66/52/773436652.db2.gz DNMKORSLZROWHM-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335370 773436755 /nfs/dbraw/zinc/43/67/55/773436755.db2.gz SPEZBJSRIMGKBK-HOCLYGCPSA-N 1 3 324.469 0.386 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335581 773437047 /nfs/dbraw/zinc/43/70/47/773437047.db2.gz WAFOKCWAMUOENA-ZBFHGGJFSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208359073 773442315 /nfs/dbraw/zinc/44/23/15/773442315.db2.gz PSJRPDLKNMOSPR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208359073 773442318 /nfs/dbraw/zinc/44/23/18/773442318.db2.gz PSJRPDLKNMOSPR-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1c(Br)n[nH]c1C(=O)N(CCCC[NH3+])C(=N)N ZINC001195607837 773452887 /nfs/dbraw/zinc/45/28/87/773452887.db2.gz SQIBMVKIPSBMEK-UHFFFAOYSA-N 1 3 317.191 0.555 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001208453694 773465697 /nfs/dbraw/zinc/46/56/97/773465697.db2.gz NDNUTUTWZUIBIX-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001208453694 773465701 /nfs/dbraw/zinc/46/57/01/773465701.db2.gz NDNUTUTWZUIBIX-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001209243290 773574180 /nfs/dbraw/zinc/57/41/80/773574180.db2.gz UIDHFHDEYZEQQG-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001209243290 773574189 /nfs/dbraw/zinc/57/41/89/773574189.db2.gz UIDHFHDEYZEQQG-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001209278948 773581520 /nfs/dbraw/zinc/58/15/20/773581520.db2.gz SQXJXIYTGISIRK-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001209305222 773589223 /nfs/dbraw/zinc/58/92/23/773589223.db2.gz WMPQRZJYLUTEID-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001209633457 773627463 /nfs/dbraw/zinc/62/74/63/773627463.db2.gz VJCNDSGQSGATJR-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC)C1 ZINC001210782296 773736595 /nfs/dbraw/zinc/73/65/95/773736595.db2.gz KNFCJILOICWWGD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NCC)C1 ZINC001210782296 773736598 /nfs/dbraw/zinc/73/65/98/773736598.db2.gz KNFCJILOICWWGD-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN1CCC[C@H](NCCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152340543 773758413 /nfs/dbraw/zinc/75/84/13/773758413.db2.gz RMKNBRZNLOXQFC-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211063976 773765116 /nfs/dbraw/zinc/76/51/16/773765116.db2.gz FLQPMLCLEOPLDZ-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211063976 773765120 /nfs/dbraw/zinc/76/51/20/773765120.db2.gz FLQPMLCLEOPLDZ-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001211229302 773783542 /nfs/dbraw/zinc/78/35/42/773783542.db2.gz SLVNAMAIWJCFGD-LSDHHAIUSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001152464258 773939336 /nfs/dbraw/zinc/93/93/36/773939336.db2.gz COVNVXMUHASKKR-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889552 774022774 /nfs/dbraw/zinc/02/27/74/774022774.db2.gz MJRBQJLBJGEBPH-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889552 774022780 /nfs/dbraw/zinc/02/27/80/774022780.db2.gz MJRBQJLBJGEBPH-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215422066 774071863 /nfs/dbraw/zinc/07/18/63/774071863.db2.gz WAPMVTGOIBJWOO-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215536198 774081458 /nfs/dbraw/zinc/08/14/58/774081458.db2.gz METFHDRJJXIBLM-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772924 774135957 /nfs/dbraw/zinc/13/59/57/774135957.db2.gz QLNZYGYCESYJPR-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC(=O)[C@H]1C[C@@H](Oc2ccnc3c4c(nn32)CCNC4)C[NH2+]1 ZINC001218327809 774221013 /nfs/dbraw/zinc/22/10/13/774221013.db2.gz OFSCSTXAHSYJTR-ZWNOBZJWSA-N 1 3 315.377 0.463 20 0 DCADHO Cc1cc2ncc(C)c(NC(=O)[C@H]3C[NH2+]CC34CNC4)n2n1 ZINC001218525969 774236957 /nfs/dbraw/zinc/23/69/57/774236957.db2.gz MLQGEHBRDAKRRY-LLVKDONJSA-N 1 3 300.366 0.094 20 0 DCADHO O=C(Nc1nnc(-c2ccco2)o1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218525895 774237293 /nfs/dbraw/zinc/23/72/93/774237293.db2.gz JKBBMDQILTYGDC-YMTOWFKASA-N 1 3 303.322 0.467 20 0 DCADHO N[C@H](C(=O)Nc1ncc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC001218529078 774238983 /nfs/dbraw/zinc/23/89/83/774238983.db2.gz GAGQFIJMUMMDIN-VIFPVBQESA-N 1 3 303.288 0.761 20 0 DCADHO CCOC(=O)c1c(C)csc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218532653 774239649 /nfs/dbraw/zinc/23/96/49/774239649.db2.gz RZLQMAGRTKFTSM-SNVBAGLBSA-N 1 3 323.418 0.981 20 0 DCADHO CCOC(=O)c1ccncc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218571690 774251260 /nfs/dbraw/zinc/25/12/60/774251260.db2.gz OKMXVSMUYUPRJC-NSHDSACASA-N 1 3 304.350 0.006 20 0 DCADHO CCCN=c1c(N)c(Cl)ncn1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218572003 774251963 /nfs/dbraw/zinc/25/19/63/774251963.db2.gz OEDHJIUOTLYVAU-VIFPVBQESA-N 1 3 314.821 0.526 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)n1c(Cl)ncc(N)c1=N ZINC001218623918 774266970 /nfs/dbraw/zinc/26/69/70/774266970.db2.gz DNJFQCMUVFXFRA-VIFPVBQESA-N 1 3 314.821 0.734 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1nc(Cl)cnc1N ZINC001218653316 774273079 /nfs/dbraw/zinc/27/30/79/774273079.db2.gz WZVRKANSQRDAHG-QMMMGPOBSA-N 1 3 300.794 0.710 20 0 DCADHO CCOC(=O)c1c(NC(=O)[C@H](N)C2CC[NH2+]CC2)ccn1CC ZINC001218718664 774288415 /nfs/dbraw/zinc/28/84/15/774288415.db2.gz RWHTWPFHVPNGMC-CYBMUJFWSA-N 1 3 322.409 0.950 20 0 DCADHO Cc1cnn(C2CCOCC2)c1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218741844 774294072 /nfs/dbraw/zinc/29/40/72/774294072.db2.gz RXWRYYJVTMRCFJ-ZDUSSCGKSA-N 1 3 319.409 0.291 20 0 DCADHO N[C@@H](C(=O)Nc1ccc(Cn2cncn2)cc1)C1CC[NH2+]CC1 ZINC001218836148 774312985 /nfs/dbraw/zinc/31/29/85/774312985.db2.gz FEBGNUBJFUVJAU-OAHLLOKOSA-N 1 3 314.393 0.592 20 0 DCADHO COC(=O)Cc1ccc(O)c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001218868573 774317592 /nfs/dbraw/zinc/31/75/92/774317592.db2.gz CZHFQPRLMJQNHB-HNNXBMFYSA-N 1 3 321.377 0.373 20 0 DCADHO C[C@]1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]C[C@H]1O ZINC001219027951 774350233 /nfs/dbraw/zinc/35/02/33/774350233.db2.gz JCDMBYGYHBAPSY-ZBFHGGJFSA-N 1 3 305.378 0.468 20 0 DCADHO COc1cc(NC(=O)[C@@H](N)CCCC[NH3+])cc(-n2cncn2)c1 ZINC001219094260 774368295 /nfs/dbraw/zinc/36/82/95/774368295.db2.gz CBRZANXETWSZEZ-AWEZNQCLSA-N 1 3 318.381 0.671 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200634603 774381485 /nfs/dbraw/zinc/38/14/85/774381485.db2.gz HCJYRWBHLWPKBW-GJZGRUSLSA-N 1 3 313.442 0.060 20 0 DCADHO Cc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc2snnc21 ZINC001219184594 774403776 /nfs/dbraw/zinc/40/37/76/774403776.db2.gz NQFREKUPEMPPGY-SNVBAGLBSA-N 1 3 303.391 0.747 20 0 DCADHO C[C@@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)C(=O)N(C)C ZINC001201037103 774442424 /nfs/dbraw/zinc/44/24/24/774442424.db2.gz CQTFIMDFTFXVQN-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2ccc(C[NH3+])cc2)COC1(C)C ZINC001219349764 774459375 /nfs/dbraw/zinc/45/93/75/774459375.db2.gz YOIKXOOWENWJPF-GWCFXTLKSA-N 1 3 320.393 0.395 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)C(C)(C)N(C)CC)CC1)C(N)=O ZINC001201326953 774488346 /nfs/dbraw/zinc/48/83/46/774488346.db2.gz FXGGJJKAOUNTIW-ZDUSSCGKSA-N 1 3 312.458 0.561 20 0 DCADHO N[C@H](C(=O)Nc1ccc2[nH]c(=O)cnc2c1)C1CC[NH2+]CC1 ZINC001219437957 774494001 /nfs/dbraw/zinc/49/40/01/774494001.db2.gz GHKNBQHGEZKWST-AWEZNQCLSA-N 1 3 301.350 0.189 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CNCc2cccnc2)C1 ZINC001201336555 774494885 /nfs/dbraw/zinc/49/48/85/774494885.db2.gz VHQNXXPSEBGYLQ-MRXNPFEDSA-N 1 3 320.437 0.740 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CNCc2cccnc2)C1 ZINC001201336553 774495101 /nfs/dbraw/zinc/49/51/01/774495101.db2.gz VHQNXXPSEBGYLQ-INIZCTEOSA-N 1 3 320.437 0.740 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]CCC2CC2)C1 ZINC001201482480 774520886 /nfs/dbraw/zinc/52/08/86/774520886.db2.gz IUCZWUJBDWZZOP-HNNXBMFYSA-N 1 3 306.410 0.959 20 0 DCADHO C[C@H](O)CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCCO1 ZINC001201482409 774520901 /nfs/dbraw/zinc/52/09/01/774520901.db2.gz IDTIWPNPWZHOLY-ZFWWWQNUSA-N 1 3 324.425 0.320 20 0 DCADHO Cc1cc(C)n(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001219595817 774551010 /nfs/dbraw/zinc/55/10/10/774551010.db2.gz RJODXSPGROBWID-CQSZACIVSA-N 1 3 305.426 0.490 20 0 DCADHO Cc1cc(C)n(CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001219595817 774551016 /nfs/dbraw/zinc/55/10/16/774551016.db2.gz RJODXSPGROBWID-CQSZACIVSA-N 1 3 305.426 0.490 20 0 DCADHO O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc2c(n1)CCNC2 ZINC001219616393 774558750 /nfs/dbraw/zinc/55/87/50/774558750.db2.gz ZWWPHGCCGOMEII-ZDUSSCGKSA-N 1 3 314.311 0.752 20 0 DCADHO C[C@@H]1C[C@@H](CNC(=O)[C@H](N)C2CCC3(CC2)OCCO3)C[NH2+]1 ZINC001219683967 774578339 /nfs/dbraw/zinc/57/83/39/774578339.db2.gz HSBSDOPDWPLXLS-YRGRVCCFSA-N 1 3 311.426 0.361 20 0 DCADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C(=O)N2 ZINC001219687283 774579233 /nfs/dbraw/zinc/57/92/33/774579233.db2.gz KMYNZCBDYLKNPF-JDSLSITLSA-N 1 3 314.389 0.304 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703827 774585519 /nfs/dbraw/zinc/58/55/19/774585519.db2.gz QPVNLGSKPFYUQF-AWEZNQCLSA-N 1 3 305.378 0.229 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001219724743 774591496 /nfs/dbraw/zinc/59/14/96/774591496.db2.gz ZOFTYWQITSLPMM-KFWWJZLASA-N 1 3 315.433 0.628 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219724743 774591500 /nfs/dbraw/zinc/59/15/00/774591500.db2.gz ZOFTYWQITSLPMM-KFWWJZLASA-N 1 3 315.433 0.628 20 0 DCADHO O=C(C[C@H]1C[NH2+]Cc2cccn2C1)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847443 774626464 /nfs/dbraw/zinc/62/64/64/774626464.db2.gz HCIOSDAFANOASQ-NZUILWFCSA-N 1 3 318.421 0.233 20 0 DCADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001220043421 774679660 /nfs/dbraw/zinc/67/96/60/774679660.db2.gz QSOZGEYXNAISGH-LLVKDONJSA-N 1 3 323.397 0.219 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220164213 774715913 /nfs/dbraw/zinc/71/59/13/774715913.db2.gz ZLTQOCVZOLOURC-HPZZRFSDSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220260672 774748735 /nfs/dbraw/zinc/74/87/35/774748735.db2.gz CWQAOTMZFGHSDX-JSGCOSHPSA-N 1 3 321.425 0.251 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@@H]1O ZINC001220277292 774754090 /nfs/dbraw/zinc/75/40/90/774754090.db2.gz UYUFSPCSDUHLEW-ZACQAIPSSA-N 1 3 317.433 0.787 20 0 DCADHO Cc1cccn2cc(CNC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)nc12 ZINC001220278247 774754115 /nfs/dbraw/zinc/75/41/15/774754115.db2.gz JHFAKQAXYGHPLL-CXAGYDPISA-N 1 3 313.405 0.458 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC2=CCCCC2)C[C@@H]1O ZINC001220276517 774754727 /nfs/dbraw/zinc/75/47/27/774754727.db2.gz DBPAVPVFRSINSK-CVEARBPZSA-N 1 3 309.454 0.990 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC(=O)Cc1ccccc1 ZINC001220462787 774817870 /nfs/dbraw/zinc/81/78/70/774817870.db2.gz ONXCMWBXWHSXRM-INIZCTEOSA-N 1 3 305.422 0.974 20 0 DCADHO C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2COC3(CNC3)CN2)CC1(C)C ZINC001220510843 774830487 /nfs/dbraw/zinc/83/04/87/774830487.db2.gz LUYXILSLSVBDHN-ZDUSSCGKSA-N 1 3 324.469 0.084 20 0 DCADHO C[C@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)[C@H](O)c1cccc(O)c1 ZINC001220548304 774842816 /nfs/dbraw/zinc/84/28/16/774842816.db2.gz GDNAHKISAWZEKG-LKTVYLICSA-N 1 3 307.394 0.257 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)C1 ZINC001220755558 774908606 /nfs/dbraw/zinc/90/86/06/774908606.db2.gz QCAJDSFDYDCZEO-ZNMIVQPWSA-N 1 3 315.433 0.629 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2O)C1 ZINC001220755558 774908609 /nfs/dbraw/zinc/90/86/09/774908609.db2.gz QCAJDSFDYDCZEO-ZNMIVQPWSA-N 1 3 315.433 0.629 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cc(F)cnc1Cl ZINC001220810445 774921868 /nfs/dbraw/zinc/92/18/68/774921868.db2.gz HIFDDLRMJVWFRW-VIFPVBQESA-N 1 3 306.794 0.510 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220934497 774956365 /nfs/dbraw/zinc/95/63/65/774956365.db2.gz PHDCPGRWTWDEDK-CABCVRRESA-N 1 3 319.453 0.836 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC=CCC1 ZINC001221018483 774980544 /nfs/dbraw/zinc/98/05/44/774980544.db2.gz DLOVNZKWIMPEMX-ILXRZTDVSA-N 1 3 322.453 0.659 20 0 DCADHO COCCOCC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202669137 774985186 /nfs/dbraw/zinc/98/51/86/774985186.db2.gz YUXUXEXNIRCXAW-UHFFFAOYSA-N 1 3 310.398 0.196 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001202669091 774985229 /nfs/dbraw/zinc/98/52/29/774985229.db2.gz XHSAFBKFCARCFF-UHFFFAOYSA-N 1 3 321.425 0.400 20 0 DCADHO NC(C(=O)NC1(c2cccnc2)CC[NH2+]CC1)C(F)(F)F ZINC001221123938 775000699 /nfs/dbraw/zinc/00/06/99/775000699.db2.gz PHXDETBVQRPIDE-SNVBAGLBSA-N 1 3 302.300 0.666 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221253910 775045469 /nfs/dbraw/zinc/04/54/69/775045469.db2.gz BHBDTHRZJOXQMQ-HOTGVXAUSA-N 1 3 305.422 0.859 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221253910 775045477 /nfs/dbraw/zinc/04/54/77/775045477.db2.gz BHBDTHRZJOXQMQ-HOTGVXAUSA-N 1 3 305.422 0.859 20 0 DCADHO O=C(NCC[C@H]1COc2ccccc2O1)[C@H]1C[NH2+]CC12CNC2 ZINC001221292051 775055879 /nfs/dbraw/zinc/05/58/79/775055879.db2.gz DDUGGOQKKFJHMX-QWHCGFSZSA-N 1 3 317.389 0.142 20 0 DCADHO CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221306709 775062105 /nfs/dbraw/zinc/06/21/05/775062105.db2.gz XDQOBLWEHMDKOR-LBPRGKRZSA-N 1 3 313.442 0.797 20 0 DCADHO N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCCCC[NH3+] ZINC001221343161 775074829 /nfs/dbraw/zinc/07/48/29/775074829.db2.gz IXLWNIUHWVUHKR-ZDUSSCGKSA-N 1 3 321.425 0.164 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001221396839 775085326 /nfs/dbraw/zinc/08/53/26/775085326.db2.gz CKMHOPCVWHOXPU-QSPRXWTASA-N 1 3 315.417 0.584 20 0 DCADHO C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)CC1 ZINC001221403088 775087940 /nfs/dbraw/zinc/08/79/40/775087940.db2.gz PNDJXFOVLJBMKX-MNOVXSKESA-N 1 3 323.359 0.490 20 0 DCADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001095425393 775114760 /nfs/dbraw/zinc/11/47/60/775114760.db2.gz OGFPGHFBNSLSAI-UGUYLWEFSA-N 1 3 307.438 0.432 20 0 DCADHO Cn1cc(CCN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)cn1 ZINC001110980237 775374320 /nfs/dbraw/zinc/37/43/20/775374320.db2.gz WDEBBLXBEIMXPA-OAGGEKHMSA-N 1 3 319.453 0.636 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226323182 775799380 /nfs/dbraw/zinc/79/93/80/775799380.db2.gz IIVFAXLWXCTSSI-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226323182 775799382 /nfs/dbraw/zinc/79/93/82/775799382.db2.gz IIVFAXLWXCTSSI-KBUPBQIOSA-N 1 3 324.469 0.480 20 0 DCADHO CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226800235 775877640 /nfs/dbraw/zinc/87/76/40/775877640.db2.gz IMTJSKJCTJFTAG-IIAWOOMASA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001228435595 776083340 /nfs/dbraw/zinc/08/33/40/776083340.db2.gz NYIHCRAUQAFGDD-UMVBOHGHSA-N 1 3 312.458 0.336 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)C)C1 ZINC001228604195 776101042 /nfs/dbraw/zinc/10/10/42/776101042.db2.gz YRMAUXKQLOPVAH-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO)N(C)C ZINC001228660765 776111557 /nfs/dbraw/zinc/11/15/57/776111557.db2.gz IRXQKEIREBMISQ-KFWWJZLASA-N 1 3 315.458 0.353 20 0 DCADHO Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)n1 ZINC001114778418 776115884 /nfs/dbraw/zinc/11/58/84/776115884.db2.gz KJDXKMMCTJJGDQ-VIKVFOODSA-N 1 3 321.425 0.309 20 0 DCADHO COC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041711078 777442709 /nfs/dbraw/zinc/44/27/09/777442709.db2.gz BTAJKSANRAIFBZ-XJKSGUPXSA-N 1 3 306.410 0.912 20 0 DCADHO COC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041711078 777442714 /nfs/dbraw/zinc/44/27/14/777442714.db2.gz BTAJKSANRAIFBZ-XJKSGUPXSA-N 1 3 306.410 0.912 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712811 777443407 /nfs/dbraw/zinc/44/34/07/777443407.db2.gz XBARMJFEMIUGJP-XJKSGUPXSA-N 1 3 306.410 0.912 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712811 777443409 /nfs/dbraw/zinc/44/34/09/777443409.db2.gz XBARMJFEMIUGJP-XJKSGUPXSA-N 1 3 306.410 0.912 20 0 DCADHO C[NH+](C)CCN1CCO[C@H]2CN(CCc3ccc(O)cc3)C[C@@H]21 ZINC001278167790 945165785 /nfs/dbraw/zinc/16/57/85/945165785.db2.gz MHOLJAMZACLUFV-ROUUACIJSA-N 1 3 319.449 0.881 20 0 DCADHO O=C1C[C@]2(CN1C1COC1)CCCCN2CC1CC[NH2+]CC1 ZINC001273029759 945209466 /nfs/dbraw/zinc/20/94/66/945209466.db2.gz FKTHSDRKNZPZRB-KRWDZBQOSA-N 1 3 307.438 0.842 20 0 DCADHO CN(C)CCN1CCC2(CC[NH+](CC3(C)COC3)CC2)C1=O ZINC001273063938 945223482 /nfs/dbraw/zinc/22/34/82/945223482.db2.gz MUWMSRHSGSKFBW-UHFFFAOYSA-N 1 3 309.454 0.899 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)CCCC[NH+](C)C)C(N)=O ZINC001266880647 939265016 /nfs/dbraw/zinc/26/50/16/939265016.db2.gz NLRZWAZZYSHNBQ-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001267044193 939322253 /nfs/dbraw/zinc/32/22/53/939322253.db2.gz HFUHVNNPNYGNSI-GJZGRUSLSA-N 1 3 322.457 0.302 20 0 DCADHO CN1CC[C@@H](N2CC[C@H](CNC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001267305434 939420792 /nfs/dbraw/zinc/42/07/92/939420792.db2.gz AOFREYPXCWMINO-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001408600434 939440198 /nfs/dbraw/zinc/44/01/98/939440198.db2.gz CIPSBTZFEDPLQE-UHFFFAOYSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001267429099 939454283 /nfs/dbraw/zinc/45/42/83/939454283.db2.gz OIOLAUOVUGPPRM-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001267429099 939454285 /nfs/dbraw/zinc/45/42/85/939454285.db2.gz OIOLAUOVUGPPRM-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001408633188 939479881 /nfs/dbraw/zinc/47/98/81/939479881.db2.gz GDTPALSHLLFBFL-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)N(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001408633188 939479883 /nfs/dbraw/zinc/47/98/83/939479883.db2.gz GDTPALSHLLFBFL-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO COCCOCCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267609739 939570759 /nfs/dbraw/zinc/57/07/59/939570759.db2.gz APTDDCJSTNFUIQ-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO COCCOCCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267609739 939570762 /nfs/dbraw/zinc/57/07/62/939570762.db2.gz APTDDCJSTNFUIQ-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C1CC[NH+](C)CC1)N(C)C ZINC001408694136 939578888 /nfs/dbraw/zinc/57/88/88/939578888.db2.gz ATBMZBMIIDAHMJ-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001481306540 939736519 /nfs/dbraw/zinc/73/65/19/939736519.db2.gz VOVWPOQNEFNWRV-UKRRQHHQSA-N 1 3 322.457 0.400 20 0 DCADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001481343124 939754571 /nfs/dbraw/zinc/75/45/71/939754571.db2.gz MDMRTASKLJLUQM-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001268460642 940149134 /nfs/dbraw/zinc/14/91/34/940149134.db2.gz HLZZJQBWGVHNDJ-UHFFFAOYSA-N 1 3 319.453 0.987 20 0 DCADHO CCN(CC[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCCN1C ZINC001268470784 940167018 /nfs/dbraw/zinc/16/70/18/940167018.db2.gz GTRDHWPVVHYLHY-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)[C@@H](C)NCc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001482034321 940215766 /nfs/dbraw/zinc/21/57/66/940215766.db2.gz KBAOAWZICOAXFD-CYBMUJFWSA-N 1 3 320.437 0.479 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001268542048 940226076 /nfs/dbraw/zinc/22/60/76/940226076.db2.gz LEXZCZFSYAXYES-REBNAPPDSA-N 1 3 322.453 0.257 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001268542048 940226079 /nfs/dbraw/zinc/22/60/79/940226079.db2.gz LEXZCZFSYAXYES-REBNAPPDSA-N 1 3 322.453 0.257 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001268580793 940265402 /nfs/dbraw/zinc/26/54/02/940265402.db2.gz CIQWLZQZMFPTDU-LDSMNOPCSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001268580793 940265403 /nfs/dbraw/zinc/26/54/03/940265403.db2.gz CIQWLZQZMFPTDU-LDSMNOPCSA-N 1 3 310.442 0.243 20 0 DCADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+][C@@H]1CCNC1=O ZINC001482142919 940280740 /nfs/dbraw/zinc/28/07/40/940280740.db2.gz LQVTZNRJZGYMBT-QWHCGFSZSA-N 1 3 312.458 0.195 20 0 DCADHO C[C@@H](C[NH2+]CCCN1CCCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001268704756 940336466 /nfs/dbraw/zinc/33/64/66/940336466.db2.gz QIGSDDGTDMOIRU-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCCNCc1ccn(C)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001268827523 940373701 /nfs/dbraw/zinc/37/37/01/940373701.db2.gz ZIOHMIWTVGRPDL-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO CC[C@]1(C(=O)OC)C[C@H](NC[C@H]2CC3(CC[NH2+]CC3)O2)CN1 ZINC001246135567 945342847 /nfs/dbraw/zinc/34/28/47/945342847.db2.gz ZRLIJFVKGLVCSH-WOSRLPQWSA-N 1 3 311.426 0.171 20 0 DCADHO CN(CCOCC[NH2+]Cc1cncn1C)C(=O)[C@H]1CCCN1C ZINC001284855221 940855361 /nfs/dbraw/zinc/85/53/61/940855361.db2.gz YYOUOYRYEKMANX-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325863 940991717 /nfs/dbraw/zinc/99/17/17/940991717.db2.gz NDELCRFXHPEIBJ-STQMWFEESA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482369091 941025048 /nfs/dbraw/zinc/02/50/48/941025048.db2.gz UTRBBQLZRYRFQD-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482389829 941035632 /nfs/dbraw/zinc/03/56/32/941035632.db2.gz AUDPELQRWKAFTG-ZDUSSCGKSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271120835 941270340 /nfs/dbraw/zinc/27/03/40/941270340.db2.gz JFUDKXIZCHXQEY-GFCCVEGCSA-N 1 3 304.398 0.365 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001409087233 941459573 /nfs/dbraw/zinc/45/95/73/941459573.db2.gz VVCJNWXEDSTUHZ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001409087233 941459576 /nfs/dbraw/zinc/45/95/76/941459576.db2.gz VVCJNWXEDSTUHZ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001482534048 941464535 /nfs/dbraw/zinc/46/45/35/941464535.db2.gz PVGMVNKFBSRANE-KGLIPLIRSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001482534054 941464781 /nfs/dbraw/zinc/46/47/81/941464781.db2.gz PVGMVNKFBSRANE-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001409143130 941550322 /nfs/dbraw/zinc/55/03/22/941550322.db2.gz ILUPXTOSICURQN-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001409143130 941550324 /nfs/dbraw/zinc/55/03/24/941550324.db2.gz ILUPXTOSICURQN-CQSZACIVSA-N 1 3 324.469 0.245 20 0 DCADHO CC[C@H](C(=O)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001409174059 941565440 /nfs/dbraw/zinc/56/54/40/941565440.db2.gz GUDLXHCQPIHGHD-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001482734416 941641456 /nfs/dbraw/zinc/64/14/56/941641456.db2.gz JXHPHQLKCCXJTA-HZPDHXFCSA-N 1 3 320.437 0.523 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001482734416 941641457 /nfs/dbraw/zinc/64/14/57/941641457.db2.gz JXHPHQLKCCXJTA-HZPDHXFCSA-N 1 3 320.437 0.523 20 0 DCADHO C[C@@H](CCNCc1cc2n(n1)CCC2)NC(=O)CC[NH+](C)C ZINC001482868094 941694303 /nfs/dbraw/zinc/69/43/03/941694303.db2.gz PQJBDLPESUOQQB-ZDUSSCGKSA-N 1 3 307.442 0.765 20 0 DCADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482931687 941711040 /nfs/dbraw/zinc/71/10/40/941711040.db2.gz UQZRGRXAUDGTBJ-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CN(C)C1CCC1 ZINC001482932450 941711821 /nfs/dbraw/zinc/71/18/21/941711821.db2.gz ZDBMPWDSVTXYKE-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001483007889 941772933 /nfs/dbraw/zinc/77/29/33/941772933.db2.gz FSCCVLHJIIWIAT-RUFGBCQQSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001483007889 941772940 /nfs/dbraw/zinc/77/29/40/941772940.db2.gz FSCCVLHJIIWIAT-RUFGBCQQSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001483007887 941773209 /nfs/dbraw/zinc/77/32/09/941773209.db2.gz FSCCVLHJIIWIAT-FYFCFCJWSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001483007887 941773212 /nfs/dbraw/zinc/77/32/12/941773212.db2.gz FSCCVLHJIIWIAT-FYFCFCJWSA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001483093349 941841084 /nfs/dbraw/zinc/84/10/84/941841084.db2.gz PJJWWNAJRVZBDJ-WFVIONGDSA-N 1 3 322.453 0.209 20 0 DCADHO CC(C)N1CC[C@H](NC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001483093349 941841089 /nfs/dbraw/zinc/84/10/89/941841089.db2.gz PJJWWNAJRVZBDJ-WFVIONGDSA-N 1 3 322.453 0.209 20 0 DCADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483172437 941922344 /nfs/dbraw/zinc/92/23/44/941922344.db2.gz QAZQAXYPUXIWJS-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001483227985 941951263 /nfs/dbraw/zinc/95/12/63/941951263.db2.gz BQABLSWZCXDBAH-FPMFFAJLSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001483227985 941951265 /nfs/dbraw/zinc/95/12/65/941951265.db2.gz BQABLSWZCXDBAH-FPMFFAJLSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001409386372 941974471 /nfs/dbraw/zinc/97/44/71/941974471.db2.gz QUUVXORVOARGLE-CHWSQXEVSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](NCc1ccnn1C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409396672 941979566 /nfs/dbraw/zinc/97/95/66/941979566.db2.gz KAIJAXVRGYCNLM-STQMWFEESA-N 1 3 307.442 0.745 20 0 DCADHO O=C(C(=O)N1CCC[C@@]12CC[NH2+]C2)N1CC[C@@H](N2CCCC2)C1 ZINC000905008771 941995952 /nfs/dbraw/zinc/99/59/52/941995952.db2.gz AGHCHVVOHIDAHU-PBHICJAKSA-N 1 3 320.437 0.038 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)C(C)(C)O)CC2)CC1 ZINC001412964556 942160701 /nfs/dbraw/zinc/16/07/01/942160701.db2.gz LKMPIGLJCGMWLM-HNNXBMFYSA-N 1 3 313.486 0.468 20 0 DCADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001272265579 942193523 /nfs/dbraw/zinc/19/35/23/942193523.db2.gz RTLISWAQGMNGPA-KFWWJZLASA-N 1 3 320.437 0.799 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+]CCn2cccn2)C1 ZINC001272641456 942880760 /nfs/dbraw/zinc/88/07/60/942880760.db2.gz INRKYTBODZCXRO-MRXNPFEDSA-N 1 3 319.453 0.807 20 0 DCADHO COCCN1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484253092 943267025 /nfs/dbraw/zinc/26/70/25/943267025.db2.gz UTLNERHWUQCJEE-MRXNPFEDSA-N 1 3 313.442 0.062 20 0 DCADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N(CCO)CCNCCF ZINC001484486834 943426314 /nfs/dbraw/zinc/42/63/14/943426314.db2.gz BKCSENAYEUGFOZ-KBPBESRZSA-N 1 3 301.406 0.383 20 0 DCADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N(CCO)CCNCCF ZINC001484486834 943426316 /nfs/dbraw/zinc/42/63/16/943426316.db2.gz BKCSENAYEUGFOZ-KBPBESRZSA-N 1 3 301.406 0.383 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC)C1 ZINC001484552100 943450225 /nfs/dbraw/zinc/45/02/25/943450225.db2.gz VUNMMBAQKHFSEU-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001484567573 943454406 /nfs/dbraw/zinc/45/44/06/943454406.db2.gz OIMZHZXHNZYYNO-KKUMJFAQSA-N 1 3 324.469 0.609 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@@H]2CCOC2)CCC1 ZINC001484659395 943497678 /nfs/dbraw/zinc/49/76/78/943497678.db2.gz DAWIIOJVQLHKIP-ZDUSSCGKSA-N 1 3 306.410 0.926 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001490898129 943586379 /nfs/dbraw/zinc/58/63/79/943586379.db2.gz XIMZJIHEQJBQSO-IHRRRGAJSA-N 1 3 324.469 0.622 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@](CO)([NH2+]C[C@H](C)OC)C1 ZINC001484857756 943603421 /nfs/dbraw/zinc/60/34/21/943603421.db2.gz YCDQDMGVLYUEPW-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCn2cccn2)[C@@H](C)C1 ZINC001484904583 943622043 /nfs/dbraw/zinc/62/20/43/943622043.db2.gz LGVNLYMJZCJDGT-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO CC(C)OCCN1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001485023553 943664495 /nfs/dbraw/zinc/66/44/95/943664495.db2.gz BFQMACBGWRELOE-UHFFFAOYSA-N 1 3 315.458 0.306 20 0 DCADHO CCN1CC[C@@H]([NH2+]CC2CC(NC(=O)CN(C)C(C)C)C2)C1=O ZINC001485110690 943701815 /nfs/dbraw/zinc/70/18/15/943701815.db2.gz SEMRVQYLNRGEFJ-YMAMQOFZSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1)N(C)C ZINC001491029774 943717369 /nfs/dbraw/zinc/71/73/69/943717369.db2.gz IBPQTDXBKUUUPY-XQHKEYJVSA-N 1 3 319.396 0.988 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@H+](C)CCn1cccn1 ZINC001485351606 943865194 /nfs/dbraw/zinc/86/51/94/943865194.db2.gz VJYMQFYKEMUURQ-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[N@@H+](C)CCn1cccn1 ZINC001485351606 943865202 /nfs/dbraw/zinc/86/52/02/943865202.db2.gz VJYMQFYKEMUURQ-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO C[C@H](NC[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001491252699 943868044 /nfs/dbraw/zinc/86/80/44/943868044.db2.gz CVCPHWIURCZYPS-UONOGXRCSA-N 1 3 322.453 0.459 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)CCC[NH+]2CCCC2)CCC1 ZINC001491363150 943937949 /nfs/dbraw/zinc/93/79/49/943937949.db2.gz LVQWDLOJJOBUAK-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC2(CNCC(N)=O)CCCCC2)C1 ZINC001485456494 943944817 /nfs/dbraw/zinc/94/48/17/943944817.db2.gz VPUBRTXHPRCXET-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC2(CNCC(N)=O)CCCCC2)C1 ZINC001485456494 943944821 /nfs/dbraw/zinc/94/48/21/943944821.db2.gz VPUBRTXHPRCXET-CYBMUJFWSA-N 1 3 310.442 0.222 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCCC1=O ZINC001491472576 944020583 /nfs/dbraw/zinc/02/05/83/944020583.db2.gz DAQZLTSBXWKWFV-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491477059 944030946 /nfs/dbraw/zinc/03/09/46/944030946.db2.gz FWGUYGDDBGLVKX-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001485695320 944090407 /nfs/dbraw/zinc/09/04/07/944090407.db2.gz GGMRLZDGDFEPQH-JOCQHMNTSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001485814256 944161510 /nfs/dbraw/zinc/16/15/10/944161510.db2.gz QOYUFDIEUFDBGY-KBPBESRZSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CCN(C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001276496412 944192271 /nfs/dbraw/zinc/19/22/71/944192271.db2.gz BKQGSYQYZVVHOF-MRXNPFEDSA-N 1 3 322.497 0.814 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CCN(C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001276496412 944192274 /nfs/dbraw/zinc/19/22/74/944192274.db2.gz BKQGSYQYZVVHOF-MRXNPFEDSA-N 1 3 322.497 0.814 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CC[NH+](C[C@@H]1CCCN(C)C1)CC2 ZINC001276496412 944192277 /nfs/dbraw/zinc/19/22/77/944192277.db2.gz BKQGSYQYZVVHOF-MRXNPFEDSA-N 1 3 322.497 0.814 20 0 DCADHO CN1CCN(C[C@H]2CCC[N@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001276497483 944192798 /nfs/dbraw/zinc/19/27/98/944192798.db2.gz XBLLKHNERXEAIO-RDJZCZTQSA-N 1 3 308.470 0.615 20 0 DCADHO CN1CCN(C[C@H]2CCC[N@@H+](C)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001276497483 944192799 /nfs/dbraw/zinc/19/27/99/944192799.db2.gz XBLLKHNERXEAIO-RDJZCZTQSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)N[C@H]2CCNC2=O)CC1 ZINC001485943484 944424490 /nfs/dbraw/zinc/42/44/90/944424490.db2.gz XDGZRYHBTQPYAS-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001485961638 944448166 /nfs/dbraw/zinc/44/81/66/944448166.db2.gz SXDYGGSRXVFXHE-ZDUSSCGKSA-N 1 3 314.474 0.678 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001486085644 944546433 /nfs/dbraw/zinc/54/64/33/944546433.db2.gz RZWJCBFEHKMAOD-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001486117453 944574959 /nfs/dbraw/zinc/57/49/59/944574959.db2.gz ZTVSKKAWPIEFJC-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1n[nH]cc1CN1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277230780 944715798 /nfs/dbraw/zinc/71/57/98/944715798.db2.gz MFEKCWHHXTYGLW-RHSMWYFYSA-N 1 3 317.437 0.750 20 0 DCADHO CNC(=O)C(C)(C)N1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001277639974 944923061 /nfs/dbraw/zinc/92/30/61/944923061.db2.gz HFPRQIYJFHZARW-KRWDZBQOSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)C(C)(C)N1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001277639974 944923068 /nfs/dbraw/zinc/92/30/68/944923068.db2.gz HFPRQIYJFHZARW-KRWDZBQOSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001317340540 944932383 /nfs/dbraw/zinc/93/23/83/944932383.db2.gz YLEQRGWWZXSEJQ-LSDHHAIUSA-N 1 3 320.441 0.058 20 0 DCADHO CN(C)C(=O)C[N@H+]1CC[C@H]2CN(c3cncn3C)C[C@H]2CC1 ZINC001277765821 944970889 /nfs/dbraw/zinc/97/08/89/944970889.db2.gz SLYDLCVZSJFKGJ-OKILXGFUSA-N 1 3 305.426 0.657 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CC[C@H]2CN(c3cncn3C)C[C@H]2CC1 ZINC001277765821 944970897 /nfs/dbraw/zinc/97/08/97/944970897.db2.gz SLYDLCVZSJFKGJ-OKILXGFUSA-N 1 3 305.426 0.657 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001486936083 945415408 /nfs/dbraw/zinc/41/54/08/945415408.db2.gz UXLJAHSKQCUXOD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001486936083 945415413 /nfs/dbraw/zinc/41/54/13/945415413.db2.gz UXLJAHSKQCUXOD-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486947608 945425769 /nfs/dbraw/zinc/42/57/69/945425769.db2.gz FRUQGJXFVATFGL-YPMHNXCESA-N 1 3 321.425 0.175 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486947608 945425771 /nfs/dbraw/zinc/42/57/71/945425771.db2.gz FRUQGJXFVATFGL-YPMHNXCESA-N 1 3 321.425 0.175 20 0 DCADHO CCOC(=O)[C@@H]1CNCCN1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246600314 945440909 /nfs/dbraw/zinc/44/09/09/945440909.db2.gz GBCDKVJKLLHWKI-BBBYJDLNSA-N 1 3 311.426 0.125 20 0 DCADHO O=C1CC[C@@H]2C[C@@H](N3CC[NH2+]C[C@@]4(CCCCN4)C3)CCN12 ZINC001246634814 945449854 /nfs/dbraw/zinc/44/98/54/945449854.db2.gz RLCRSJYWLMILTF-UXLLHSPISA-N 1 3 306.454 0.557 20 0 DCADHO COCCN1CCOC[C@@]2(CCCN([C@H]3CCC[NH2+]C3)C2)C1 ZINC001246698233 945462879 /nfs/dbraw/zinc/46/28/79/945462879.db2.gz WRKDXSAWYGPQFF-IRXDYDNUSA-N 1 3 311.470 0.799 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H](N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)CCN1 ZINC001246690639 945463130 /nfs/dbraw/zinc/46/31/30/945463130.db2.gz KXOFPFOGKQQRKQ-MQYQWHSLSA-N 1 3 313.417 0.679 20 0 DCADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CCN1 ZINC001246724748 945472770 /nfs/dbraw/zinc/47/27/70/945472770.db2.gz YNXKSVAVTQYVBO-DGXTUMSLSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CCN1 ZINC001246724748 945472777 /nfs/dbraw/zinc/47/27/77/945472777.db2.gz YNXKSVAVTQYVBO-DGXTUMSLSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]1C[C@H](N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)CC[NH2+]1 ZINC001246724748 945472783 /nfs/dbraw/zinc/47/27/83/945472783.db2.gz YNXKSVAVTQYVBO-DGXTUMSLSA-N 1 3 309.454 0.942 20 0 DCADHO CN(C)C(=O)CN1CCC2(CCC[N@@H+]2C2CCNCC2)CC1 ZINC001246781222 945488463 /nfs/dbraw/zinc/48/84/63/945488463.db2.gz RCRHNNSSLPRDJX-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)C(=O)CN1CCC2(CCC[N@H+]2C2CCNCC2)CC1 ZINC001246781222 945488471 /nfs/dbraw/zinc/48/84/71/945488471.db2.gz RCRHNNSSLPRDJX-UHFFFAOYSA-N 1 3 308.470 0.757 20 0 DCADHO CC(=O)N[C@@H](CC[NH3+])c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247645353 945565921 /nfs/dbraw/zinc/56/59/21/945565921.db2.gz YKCLQKYOLGIRAQ-ZDUSSCGKSA-N 1 3 316.365 0.303 20 0 DCADHO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc4c(n3)CCNC4)no2)OC1 ZINC001249137556 945620878 /nfs/dbraw/zinc/62/08/78/945620878.db2.gz NEASOGJJAKZWMM-MFKMUULPSA-N 1 3 301.350 0.956 20 0 DCADHO CN1CCN(Cc2cccc(-c3noc([C@H](N)C[NH3+])n3)c2)CC1 ZINC001249127617 945621907 /nfs/dbraw/zinc/62/19/07/945621907.db2.gz PPTMFUHVHWTQAX-CQSZACIVSA-N 1 3 316.409 0.443 20 0 DCADHO CN1CCN(c2cccc(-c3noc(C[C@@H](N)C[NH3+])n3)c2)CC1 ZINC001249130216 945622469 /nfs/dbraw/zinc/62/24/69/945622469.db2.gz YPPOWAPCQLQWCE-CYBMUJFWSA-N 1 3 316.409 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+]CCc1ccnn1C ZINC001319594965 945626229 /nfs/dbraw/zinc/62/62/29/945626229.db2.gz XSKRJDBRCYYGMA-CQSZACIVSA-N 1 3 309.458 0.739 20 0 DCADHO C[NH+](C)CCNC(=S)Nc1cnccc1N1CCOCC1 ZINC001249829657 945647641 /nfs/dbraw/zinc/64/76/41/945647641.db2.gz GWOARTDUNJVHMC-UHFFFAOYSA-N 1 3 309.439 0.766 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CCc1cccs1 ZINC001320301827 945814945 /nfs/dbraw/zinc/81/49/45/945814945.db2.gz WOOOXAKWZOLVKN-GFCCVEGCSA-N 1 3 322.434 0.632 20 0 DCADHO CCC[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252781597 946002539 /nfs/dbraw/zinc/00/25/39/946002539.db2.gz XKWLQPHFCWNTTP-INIZCTEOSA-N 1 3 321.465 0.972 20 0 DCADHO CCC[C@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252781597 946002551 /nfs/dbraw/zinc/00/25/51/946002551.db2.gz XKWLQPHFCWNTTP-INIZCTEOSA-N 1 3 321.465 0.972 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)[C@H]1CCCN1C ZINC001320810858 946028906 /nfs/dbraw/zinc/02/89/06/946028906.db2.gz DRZZTAJWVNZYGG-UONOGXRCSA-N 1 3 320.441 0.298 20 0 DCADHO CC[NH+](CC)C[C@H](O)CN[C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001253204919 946093963 /nfs/dbraw/zinc/09/39/63/946093963.db2.gz YAYPZTUSQTYCNC-LSDHHAIUSA-N 1 3 307.438 0.535 20 0 DCADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001253212571 946097809 /nfs/dbraw/zinc/09/78/09/946097809.db2.gz NPNSNAXVBVECOL-CVEARBPZSA-N 1 3 320.437 0.588 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410261754 946108579 /nfs/dbraw/zinc/10/85/79/946108579.db2.gz CUCLCKVDGOSXCG-RAIGVLPGSA-N 1 3 321.425 0.222 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001410261754 946108584 /nfs/dbraw/zinc/10/85/84/946108584.db2.gz CUCLCKVDGOSXCG-RAIGVLPGSA-N 1 3 321.425 0.222 20 0 DCADHO O[C@H]1CCOC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254049660 946225943 /nfs/dbraw/zinc/22/59/43/946225943.db2.gz JPLMGKMAYGHDGT-IRXDYDNUSA-N 1 3 320.433 0.753 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCn1cncn1 ZINC001321418841 946321629 /nfs/dbraw/zinc/32/16/29/946321629.db2.gz KGVKJVGOCJVOTN-FOSCPCJNSA-N 1 3 320.441 0.415 20 0 DCADHO CN1CCC[C@@H](NS(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC001254498367 946400813 /nfs/dbraw/zinc/40/08/13/946400813.db2.gz XLFLMUJDXQMZMW-CQSZACIVSA-N 1 3 311.451 0.950 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001273316489 946493846 /nfs/dbraw/zinc/49/38/46/946493846.db2.gz SVFSVPZNMYSYEY-AWEZNQCLSA-N 1 3 315.458 0.428 20 0 DCADHO CN1CC[C@H](N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)C1 ZINC001255422586 946502074 /nfs/dbraw/zinc/50/20/74/946502074.db2.gz GCNHIHINWKSYOJ-HNNXBMFYSA-N 1 3 303.410 0.927 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCCN2C)C1=O ZINC001322442427 946680420 /nfs/dbraw/zinc/68/04/20/946680420.db2.gz LPYBHQVUCQZFAU-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO Cc1nccnc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001322441251 946680966 /nfs/dbraw/zinc/68/09/66/946680966.db2.gz ABNNMOISFYZSEU-OAHLLOKOSA-N 1 3 305.426 0.817 20 0 DCADHO CC(C)CN1CCC([NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001258017332 946793590 /nfs/dbraw/zinc/79/35/90/946793590.db2.gz DWLSTGPBWAYESY-UHFFFAOYSA-N 1 3 308.426 0.781 20 0 DCADHO Cc1ccc(C[NH2+][C@H](CO)CNC(=O)CN(C)C(C)C)cc1 ZINC001410796313 946955062 /nfs/dbraw/zinc/95/50/62/946955062.db2.gz BDIOXSIQQZNZML-INIZCTEOSA-N 1 3 307.438 0.902 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001410880378 947072690 /nfs/dbraw/zinc/07/26/90/947072690.db2.gz FXGQFHNWMGLHKR-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001410880378 947072698 /nfs/dbraw/zinc/07/26/98/947072698.db2.gz FXGQFHNWMGLHKR-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N2CCCC2)C[C@@H]1C ZINC001410886352 947084245 /nfs/dbraw/zinc/08/42/45/947084245.db2.gz QGWSBWQLAQMNNB-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001411248255 947538902 /nfs/dbraw/zinc/53/89/02/947538902.db2.gz HILWBAHRNBEINU-NFOMZHRRSA-N 1 3 324.469 0.432 20 0 DCADHO CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001325100403 947651545 /nfs/dbraw/zinc/65/15/45/947651545.db2.gz AIUIZILYTRZHDB-GOEBONIOSA-N 1 3 315.458 0.162 20 0 DCADHO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001325100403 947651548 /nfs/dbraw/zinc/65/15/48/947651548.db2.gz AIUIZILYTRZHDB-GOEBONIOSA-N 1 3 315.458 0.162 20 0 DCADHO CCN1CCN(CC[NH2+]CCC(=O)Nc2cc(C)on2)CC1 ZINC001262561827 947726538 /nfs/dbraw/zinc/72/65/38/947726538.db2.gz HXHYUXKABMHACX-UHFFFAOYSA-N 1 3 309.414 0.539 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC001325345953 947762987 /nfs/dbraw/zinc/76/29/87/947762987.db2.gz JRSWJAVPWNYTQC-MCIONIFRSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+](C)CCOCCNC(=O)[C@@H](N)Cc1ccc2cc[nH]c2c1 ZINC001263116574 947811253 /nfs/dbraw/zinc/81/12/53/947811253.db2.gz BXTBLWQEGBYOJG-HNNXBMFYSA-N 1 3 318.421 0.732 20 0 DCADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC)N(C)C ZINC001179609540 947874533 /nfs/dbraw/zinc/87/45/33/947874533.db2.gz VJUHJWZKPHWMDW-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001273568717 947961137 /nfs/dbraw/zinc/96/11/37/947961137.db2.gz AHLXYZBQPRUZGM-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001273568717 947961143 /nfs/dbraw/zinc/96/11/43/947961143.db2.gz AHLXYZBQPRUZGM-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO COC1CCN(CCNC(=O)NCCCCCC[NH3+])CC1 ZINC001326026408 948025244 /nfs/dbraw/zinc/02/52/44/948025244.db2.gz CAJZWPHJWWEEGJ-UHFFFAOYSA-N 1 3 300.447 0.916 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001273764401 948075258 /nfs/dbraw/zinc/07/52/58/948075258.db2.gz DWXUMTNUAHTZQI-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001273764401 948075268 /nfs/dbraw/zinc/07/52/68/948075268.db2.gz DWXUMTNUAHTZQI-OKILXGFUSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCN1CC[C@]2(CCCN2C[C@H]2COCCO2)C1=O ZINC001273774569 948080804 /nfs/dbraw/zinc/08/08/04/948080804.db2.gz QFEIDBPSDYQZNP-GOEBONIOSA-N 1 3 311.426 0.030 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCCF)C2)CC[N@@H+]1C ZINC001326977931 948351565 /nfs/dbraw/zinc/35/15/65/948351565.db2.gz JHHSRCTWYVVMIA-MELADBBJSA-N 1 3 301.406 0.503 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCCF)C2)CC[N@H+]1C ZINC001326977931 948351577 /nfs/dbraw/zinc/35/15/77/948351577.db2.gz JHHSRCTWYVVMIA-MELADBBJSA-N 1 3 301.406 0.503 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001265036634 949216368 /nfs/dbraw/zinc/21/63/68/949216368.db2.gz HTHUMVHAYIRCBP-HNNXBMFYSA-N 1 3 322.453 0.664 20 0 DCADHO CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001265036634 949216390 /nfs/dbraw/zinc/21/63/90/949216390.db2.gz HTHUMVHAYIRCBP-HNNXBMFYSA-N 1 3 322.453 0.664 20 0 DCADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC ZINC001495068981 949293655 /nfs/dbraw/zinc/29/36/55/949293655.db2.gz OAKHRXLNASPCMH-JSGCOSHPSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCNC1=O ZINC001265121298 949337389 /nfs/dbraw/zinc/33/73/89/949337389.db2.gz OLLOBELEFACEBR-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCO ZINC001489089531 949515495 /nfs/dbraw/zinc/51/54/95/949515495.db2.gz SJQJLYMRCUSEKN-FZKCQIBNSA-N 1 3 309.454 0.488 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCO ZINC001489089531 949515510 /nfs/dbraw/zinc/51/55/10/949515510.db2.gz SJQJLYMRCUSEKN-FZKCQIBNSA-N 1 3 309.454 0.488 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001266028979 950275813 /nfs/dbraw/zinc/27/58/13/950275813.db2.gz HWLXHPXJBOLRNM-LSDHHAIUSA-N 1 3 307.442 0.661 20 0 DCADHO CCOCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001330427005 950384577 /nfs/dbraw/zinc/38/45/77/950384577.db2.gz IGFYPLIWCGIJEI-HIFRSBDPSA-N 1 3 324.425 0.584 20 0 DCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(CCCC[NH3+])nn1 ZINC001330641740 950565977 /nfs/dbraw/zinc/56/59/77/950565977.db2.gz ZBBLBFKRSDZAJG-KGLIPLIRSA-N 1 3 306.414 0.326 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+]C[C@@H]2CCOC2)C1 ZINC001280297898 950810138 /nfs/dbraw/zinc/81/01/38/950810138.db2.gz YWAOXOXXLKPBPA-HOTGVXAUSA-N 1 3 309.454 0.947 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001490711531 951026627 /nfs/dbraw/zinc/02/66/27/951026627.db2.gz ZFMBIJZWPPHWQT-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001490718437 951032885 /nfs/dbraw/zinc/03/28/85/951032885.db2.gz UHSUNFQHPDZUEN-KGLIPLIRSA-N 1 3 310.442 0.219 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001365806736 951564668 /nfs/dbraw/zinc/56/46/68/951564668.db2.gz ABNPSRCNJTWHRR-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001299383593 951835677 /nfs/dbraw/zinc/83/56/77/951835677.db2.gz VFXDLQWIKNRKTB-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC001332974764 951869444 /nfs/dbraw/zinc/86/94/44/951869444.db2.gz DCFXBWRKXTXZQP-ZIAGYGMSSA-N 1 3 300.422 0.078 20 0 DCADHO O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)N2C[C@@H]1CCOC1 ZINC001275168262 951982703 /nfs/dbraw/zinc/98/27/03/951982703.db2.gz JGZVRUZXTDJISI-NXOAAHMSSA-N 1 3 319.449 0.792 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001412216085 952698924 /nfs/dbraw/zinc/69/89/24/952698924.db2.gz NDPDYOXVMKYYBR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001412216085 952698926 /nfs/dbraw/zinc/69/89/26/952698926.db2.gz NDPDYOXVMKYYBR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO COc1cccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC001336728769 952758124 /nfs/dbraw/zinc/75/81/24/952758124.db2.gz SOLIEJMCBDRVCL-HNNXBMFYSA-N 1 3 321.421 0.471 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](Cc3cnco3)C[C@H]2CC1 ZINC001276159047 952953717 /nfs/dbraw/zinc/95/37/17/952953717.db2.gz ZDPKSKCIBYVEHT-OKILXGFUSA-N 1 3 306.410 0.907 20 0 DCADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](Cc3cnco3)C[C@H]2CC1 ZINC001276159047 952953723 /nfs/dbraw/zinc/95/37/23/952953723.db2.gz ZDPKSKCIBYVEHT-OKILXGFUSA-N 1 3 306.410 0.907 20 0 DCADHO CN1CCN(CCCNC(=O)[C@@H]2C[NH2+]CCC23CCC3)CC1 ZINC001341734271 953248102 /nfs/dbraw/zinc/24/81/02/953248102.db2.gz UXLVOLCTOQXAHO-HNNXBMFYSA-N 1 3 308.470 0.520 20 0 DCADHO [NH3+]CCOCC(=O)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC001341999883 953263581 /nfs/dbraw/zinc/26/35/81/953263581.db2.gz ISPKVQASGMTBMB-ZIAGYGMSSA-N 1 3 319.405 0.471 20 0 DCADHO O=C(NCCCN1CC[NH2+]CC1)c1cc2c(s1)CNCC2 ZINC001343023682 953318806 /nfs/dbraw/zinc/31/88/06/953318806.db2.gz VLRGRDBHRUCQDO-UHFFFAOYSA-N 1 3 308.451 0.419 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+][C@H]1CCCNC1=O)C1CC1)C1CCC1 ZINC001366033185 953603965 /nfs/dbraw/zinc/60/39/65/953603965.db2.gz GTEKCOAZLVYYIX-GJZGRUSLSA-N 1 3 322.453 0.234 20 0 DCADHO CN(CC(=O)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1)CC(C)(C)C ZINC001366056251 953630883 /nfs/dbraw/zinc/63/08/83/953630883.db2.gz NTNULOJQHWPQAQ-UONOGXRCSA-N 1 3 324.469 0.337 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC(=O)N1CCC1)C1CC1 ZINC001366058120 953631985 /nfs/dbraw/zinc/63/19/85/953631985.db2.gz HVEUWEKHGIEMHY-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)n[nH]1 ZINC001366073081 953651251 /nfs/dbraw/zinc/65/12/51/953651251.db2.gz ALRAWPNZBUEKPD-STQMWFEESA-N 1 3 306.414 0.049 20 0 DCADHO Cc1nc(CN[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)n[nH]1 ZINC001366073081 953651255 /nfs/dbraw/zinc/65/12/55/953651255.db2.gz ALRAWPNZBUEKPD-STQMWFEESA-N 1 3 306.414 0.049 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001366102440 953687707 /nfs/dbraw/zinc/68/77/07/953687707.db2.gz JXHBABWCGLPENT-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC001366166896 953765718 /nfs/dbraw/zinc/76/57/18/953765718.db2.gz MXBSMIJFIFZJFH-BETUJISGSA-N 1 3 310.442 0.186 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001366195662 953805566 /nfs/dbraw/zinc/80/55/66/953805566.db2.gz KLBCTCCIFUHHJC-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cccc(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC001346190300 953817634 /nfs/dbraw/zinc/81/76/34/953817634.db2.gz HSHSUNIFRGNSPF-INIZCTEOSA-N 1 3 305.422 0.771 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001366219540 953844846 /nfs/dbraw/zinc/84/48/46/953844846.db2.gz RWOCCTYQZGNOKV-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001346509179 953906433 /nfs/dbraw/zinc/90/64/33/953906433.db2.gz UVIRMDKQOVQVLZ-CQSZACIVSA-N 1 3 314.474 0.489 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNC(=O)CN(C)C(C)C ZINC001283068085 953975639 /nfs/dbraw/zinc/97/56/39/953975639.db2.gz UBGCPNBWQJJYMZ-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNC(=O)CN(C)C(C)C ZINC001283068085 953975654 /nfs/dbraw/zinc/97/56/54/953975654.db2.gz UBGCPNBWQJJYMZ-UHFFFAOYSA-N 1 3 300.447 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2n[nH]c(C)n2)C1 ZINC001366320482 954018334 /nfs/dbraw/zinc/01/83/34/954018334.db2.gz OXIVMZNTKYRHFW-JSGCOSHPSA-N 1 3 322.457 0.829 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2n[nH]c(C)n2)C1 ZINC001366320482 954018348 /nfs/dbraw/zinc/01/83/48/954018348.db2.gz OXIVMZNTKYRHFW-JSGCOSHPSA-N 1 3 322.457 0.829 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001366329748 954032828 /nfs/dbraw/zinc/03/28/28/954032828.db2.gz NEAFHMZOAQXHGA-DZGCQCFKSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001366329748 954032841 /nfs/dbraw/zinc/03/28/41/954032841.db2.gz NEAFHMZOAQXHGA-DZGCQCFKSA-N 1 3 324.469 0.622 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC/C=C/CO)CC2)CC1 ZINC001347239498 954054131 /nfs/dbraw/zinc/05/41/31/954054131.db2.gz XAVVDGLYVOGOFU-NSCUHMNNSA-N 1 3 310.442 0.393 20 0 DCADHO CC[C@H](N[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001366351795 954080178 /nfs/dbraw/zinc/08/01/78/954080178.db2.gz GRKBSULXCHEPAW-OCCSQVGLSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCNC(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001283208845 954139641 /nfs/dbraw/zinc/13/96/41/954139641.db2.gz OKWSPDOAVGNGSF-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001366396351 954149431 /nfs/dbraw/zinc/14/94/31/954149431.db2.gz BSRIMSFWYOJBMS-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001366417522 954172513 /nfs/dbraw/zinc/17/25/13/954172513.db2.gz YKLLQHRFSDFWOE-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1ccn(C)n1 ZINC001366480038 954256621 /nfs/dbraw/zinc/25/66/21/954256621.db2.gz ATFJWQCRZHNQTE-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NCc1ccn(C)n1 ZINC001366480038 954256634 /nfs/dbraw/zinc/25/66/34/954256634.db2.gz ATFJWQCRZHNQTE-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001366513395 954304072 /nfs/dbraw/zinc/30/40/72/954304072.db2.gz RAVFZXRTNNCOPS-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001349243297 954669559 /nfs/dbraw/zinc/66/95/59/954669559.db2.gz JTLMOCXIJVCPAZ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001349243297 954669562 /nfs/dbraw/zinc/66/95/62/954669562.db2.gz JTLMOCXIJVCPAZ-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001366698411 954671757 /nfs/dbraw/zinc/67/17/57/954671757.db2.gz NAGRIQOEWUNAGS-CZUORRHYSA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001366698411 954671764 /nfs/dbraw/zinc/67/17/64/954671764.db2.gz NAGRIQOEWUNAGS-CZUORRHYSA-N 1 3 315.433 0.629 20 0 DCADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001284028873 954791778 /nfs/dbraw/zinc/79/17/78/954791778.db2.gz BZBWYLPAKDGQJX-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001366768859 954808285 /nfs/dbraw/zinc/80/82/85/954808285.db2.gz PSMBERRSQGSNIO-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001366768859 954808288 /nfs/dbraw/zinc/80/82/88/954808288.db2.gz PSMBERRSQGSNIO-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC2CC2)CC[N@@H+]1C ZINC001366770306 954813862 /nfs/dbraw/zinc/81/38/62/954813862.db2.gz OAXBJZZZGIHYIS-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC2CC2)CC[N@H+]1C ZINC001366770306 954813869 /nfs/dbraw/zinc/81/38/69/954813869.db2.gz OAXBJZZZGIHYIS-AEGPPILISA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(N)=O ZINC001366827011 954899874 /nfs/dbraw/zinc/89/98/74/954899874.db2.gz PVZRYGXGGCJUKJ-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H](NCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(N)=O ZINC001366827011 954899881 /nfs/dbraw/zinc/89/98/81/954899881.db2.gz PVZRYGXGGCJUKJ-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH+](C)CCCC(=O)NCC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001366832118 954906850 /nfs/dbraw/zinc/90/68/50/954906850.db2.gz FVLZOSILKSAWIC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNCCF ZINC001284428607 955085027 /nfs/dbraw/zinc/08/50/27/955085027.db2.gz HFFGPZYVYUEKEZ-KBPBESRZSA-N 1 3 303.422 0.485 20 0 DCADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNCCF ZINC001284428607 955085041 /nfs/dbraw/zinc/08/50/41/955085041.db2.gz HFFGPZYVYUEKEZ-KBPBESRZSA-N 1 3 303.422 0.485 20 0 DCADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(=O)N(C)C ZINC001367103305 955312771 /nfs/dbraw/zinc/31/27/71/955312771.db2.gz QCTIBXZOFIVICU-OCCSQVGLSA-N 1 3 300.447 0.145 20 0 DCADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C1CC1 ZINC001367135037 955374950 /nfs/dbraw/zinc/37/49/50/955374950.db2.gz HDHTVYJYWVMIDQ-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1nccn1C ZINC001367244103 955516654 /nfs/dbraw/zinc/51/66/54/955516654.db2.gz QCBVXQCAWNFIAU-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO COCCNCC(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001355560541 956676690 /nfs/dbraw/zinc/67/66/90/956676690.db2.gz ZWUKTBFZBXTTIY-PBHICJAKSA-N 1 3 319.405 0.595 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)N(C)C ZINC001292916980 957196747 /nfs/dbraw/zinc/19/67/47/957196747.db2.gz VIDFDKIMNKAHFC-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)N(C)C ZINC001292916980 957196756 /nfs/dbraw/zinc/19/67/56/957196756.db2.gz VIDFDKIMNKAHFC-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)NC/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001357931541 957404732 /nfs/dbraw/zinc/40/47/32/957404732.db2.gz GLDHJUCHKMQCBS-WAYWQWQTSA-N 1 3 324.469 0.459 20 0 DCADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001446975733 1013156105 /nfs/dbraw/zinc/15/61/05/1013156105.db2.gz VJQKRTUREDSNLI-LSDHHAIUSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCNC(=O)CN1CCCC1 ZINC001294089661 957480580 /nfs/dbraw/zinc/48/05/80/957480580.db2.gz RSIPWGFJNYKKOG-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCNC(=O)CN1CCCC1 ZINC001294089661 957480584 /nfs/dbraw/zinc/48/05/84/957480584.db2.gz RSIPWGFJNYKKOG-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001414016868 957659620 /nfs/dbraw/zinc/65/96/20/957659620.db2.gz LPKLKGINVQWOFI-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001367376148 957739829 /nfs/dbraw/zinc/73/98/29/957739829.db2.gz LXQKONKBZIHSKI-CHWSQXEVSA-N 1 3 314.474 0.678 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1cncn1C)[NH+](C)C ZINC001367402077 957772921 /nfs/dbraw/zinc/77/29/21/957772921.db2.gz QBODEZHOSAEIFV-DZGCQCFKSA-N 1 3 309.458 0.943 20 0 DCADHO CCn1nncc1CNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367405210 957776793 /nfs/dbraw/zinc/77/67/93/957776793.db2.gz WMECXZYKDBYJAA-ZFWWWQNUSA-N 1 3 324.473 0.821 20 0 DCADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC001367476869 957867470 /nfs/dbraw/zinc/86/74/70/957867470.db2.gz ATQPBMPQYJWVBM-KGLIPLIRSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1cc(CN2C[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)cn1 ZINC001446983188 1013164463 /nfs/dbraw/zinc/16/44/63/1013164463.db2.gz RXCUZBLGASFULX-GASCZTMLSA-N 1 3 305.426 0.262 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O)N1CCCCC1 ZINC001367567074 958058206 /nfs/dbraw/zinc/05/82/06/958058206.db2.gz WNOIZLHAGAFJSN-ZIAGYGMSSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCCN1C ZINC001367642275 958252079 /nfs/dbraw/zinc/25/20/79/958252079.db2.gz HJXDFXYKKJUPCC-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001430146781 1013170114 /nfs/dbraw/zinc/17/01/14/1013170114.db2.gz OWUGDYWJBFPBPP-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001430146781 1013170121 /nfs/dbraw/zinc/17/01/21/1013170121.db2.gz OWUGDYWJBFPBPP-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001430145501 1013170879 /nfs/dbraw/zinc/17/08/79/1013170879.db2.gz JQYJJWXUODTFNW-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001430145501 1013170886 /nfs/dbraw/zinc/17/08/86/1013170886.db2.gz JQYJJWXUODTFNW-KBUPBQIOSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001367694244 958387550 /nfs/dbraw/zinc/38/75/50/958387550.db2.gz CYXSOPKOJCVFFO-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CNCC(=O)NC1CC1)[NH+]1CCCC1 ZINC001367742991 958482347 /nfs/dbraw/zinc/48/23/47/958482347.db2.gz XGDTXKXVMSOWDK-CZUORRHYSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNCC(=O)NCC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001367753452 958504996 /nfs/dbraw/zinc/50/49/96/958504996.db2.gz PMEIKERBDUAECW-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO Cc1nccn1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001361952092 958531163 /nfs/dbraw/zinc/53/11/63/958531163.db2.gz YARQGJZOKCYFOP-MRXNPFEDSA-N 1 3 319.453 0.818 20 0 DCADHO Cc1nccn1CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001361952092 958531189 /nfs/dbraw/zinc/53/11/89/958531189.db2.gz YARQGJZOKCYFOP-MRXNPFEDSA-N 1 3 319.453 0.818 20 0 DCADHO Cc1nccn1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001361952092 958531202 /nfs/dbraw/zinc/53/12/02/958531202.db2.gz YARQGJZOKCYFOP-MRXNPFEDSA-N 1 3 319.453 0.818 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001298484142 958620098 /nfs/dbraw/zinc/62/00/98/958620098.db2.gz RWHUEZCFQBOTNZ-WLBISTCBSA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)NC/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001298484142 958620089 /nfs/dbraw/zinc/62/00/89/958620089.db2.gz RWHUEZCFQBOTNZ-WLBISTCBSA-N 1 3 324.469 0.457 20 0 DCADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)[NH2+]CCn1cncn1 ZINC001376818298 958916015 /nfs/dbraw/zinc/91/60/15/958916015.db2.gz DQHHIZYTNZAQQP-CABCVRRESA-N 1 3 322.457 0.637 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001376882106 959051302 /nfs/dbraw/zinc/05/13/02/959051302.db2.gz PSJYDTWKGOLSOC-ZFWWWQNUSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001376886098 959066131 /nfs/dbraw/zinc/06/61/31/959066131.db2.gz XFJSGUCNUNEXBH-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001491790051 959230102 /nfs/dbraw/zinc/23/01/02/959230102.db2.gz ADBNEILOPASTLC-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001368103809 959245179 /nfs/dbraw/zinc/24/51/79/959245179.db2.gz BTNHZLMBPVNMSK-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001368201963 959440379 /nfs/dbraw/zinc/44/03/79/959440379.db2.gz ZOAVQSAGRCOMOC-YOEHRIQHSA-N 1 3 324.469 0.387 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001377283647 959851705 /nfs/dbraw/zinc/85/17/05/959851705.db2.gz LRHIKPYFKLWWDI-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nn(C)cc1CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001368483708 959927144 /nfs/dbraw/zinc/92/71/44/959927144.db2.gz FZBDALMMDDSMBX-AWEZNQCLSA-N 1 3 319.453 0.809 20 0 DCADHO Cc1nn(C)cc1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001368483708 959927153 /nfs/dbraw/zinc/92/71/53/959927153.db2.gz FZBDALMMDDSMBX-AWEZNQCLSA-N 1 3 319.453 0.809 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(NCC(N)=O)CCC1)[NH+]1CCCC1 ZINC001368498907 959944007 /nfs/dbraw/zinc/94/40/07/959944007.db2.gz VTKFVUQIBVSVTJ-CQSZACIVSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)C[NH2+]CC1(O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001377354481 959967134 /nfs/dbraw/zinc/96/71/34/959967134.db2.gz KZKWOYQUDWLCNH-OAHLLOKOSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368574232 960046880 /nfs/dbraw/zinc/04/68/80/960046880.db2.gz ODKMQAUJJDAATF-HDJSIYSDSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001368653739 960124378 /nfs/dbraw/zinc/12/43/78/960124378.db2.gz GPAGQHVRCBKUKR-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCC(=O)N(C)C ZINC001368662933 960135721 /nfs/dbraw/zinc/13/57/21/960135721.db2.gz CIVJBOLJTZHJBB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC001377461920 960141454 /nfs/dbraw/zinc/14/14/54/960141454.db2.gz LLSVKCOCGNHIOB-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@@H](C)C(=O)N(C)C)C1 ZINC001377461920 960141459 /nfs/dbraw/zinc/14/14/59/960141459.db2.gz LLSVKCOCGNHIOB-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001368669822 960143798 /nfs/dbraw/zinc/14/37/98/960143798.db2.gz FIGYJQJDYWAXRJ-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CCn1nnc(C)c1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001368709894 960179699 /nfs/dbraw/zinc/17/96/99/960179699.db2.gz OQKODADEOOANTQ-JSGCOSHPSA-N 1 3 322.457 0.685 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)NCc1ccn(C)n1)[NH+](C)C ZINC001368728161 960202743 /nfs/dbraw/zinc/20/27/43/960202743.db2.gz RQUIKEMNDXDJMQ-ZFWWWQNUSA-N 1 3 309.458 0.991 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001368753861 960229260 /nfs/dbraw/zinc/22/92/60/960229260.db2.gz BTFFXYRTPFKMKX-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC(N)=O)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001368776607 960254382 /nfs/dbraw/zinc/25/43/82/960254382.db2.gz KDUFQAPYUBFSJK-UHFFFAOYSA-N 1 3 322.453 0.128 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001368782541 960259892 /nfs/dbraw/zinc/25/98/92/960259892.db2.gz ASGGMFWYIKCMJX-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cncn1)N(C)C ZINC001368800255 960290133 /nfs/dbraw/zinc/29/01/33/960290133.db2.gz PCJDULNHLLTXON-CABCVRRESA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cncn1)N(C)C ZINC001368800255 960290141 /nfs/dbraw/zinc/29/01/41/960290141.db2.gz PCJDULNHLLTXON-CABCVRRESA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCn1cncn1)N(C)C ZINC001368800264 960292417 /nfs/dbraw/zinc/29/24/17/960292417.db2.gz PCJDULNHLLTXON-GJZGRUSLSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCn1cncn1)N(C)C ZINC001368800264 960292423 /nfs/dbraw/zinc/29/24/23/960292423.db2.gz PCJDULNHLLTXON-GJZGRUSLSA-N 1 3 322.457 0.541 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1 ZINC001368825251 960321775 /nfs/dbraw/zinc/32/17/75/960321775.db2.gz LUPGFYRNGHGEMG-UHFFFAOYSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316824994 960355627 /nfs/dbraw/zinc/35/56/27/960355627.db2.gz ZJNCPKOBMWCOBS-UONOGXRCSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cncn1C ZINC001378260331 960444869 /nfs/dbraw/zinc/44/48/69/960444869.db2.gz UNZIITDEQIXGMU-VNHYZAJKSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cncn1C ZINC001378260331 960444877 /nfs/dbraw/zinc/44/48/77/960444877.db2.gz UNZIITDEQIXGMU-VNHYZAJKSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001377721993 960501549 /nfs/dbraw/zinc/50/15/49/960501549.db2.gz FRBPSYRLCVNTAN-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001377721993 960501567 /nfs/dbraw/zinc/50/15/67/960501567.db2.gz FRBPSYRLCVNTAN-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCN(C)C2=O)C1 ZINC001377761513 960591153 /nfs/dbraw/zinc/59/11/53/960591153.db2.gz OSNDENUGOXHPAV-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCN(C)C2=O)C1 ZINC001377761513 960591163 /nfs/dbraw/zinc/59/11/63/960591163.db2.gz OSNDENUGOXHPAV-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001377774818 960624504 /nfs/dbraw/zinc/62/45/04/960624504.db2.gz ZBXBVSJXSGGSGD-KGLIPLIRSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001377774822 960627031 /nfs/dbraw/zinc/62/70/31/960627031.db2.gz ZBXBVSJXSGGSGD-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001377793420 960674552 /nfs/dbraw/zinc/67/45/52/960674552.db2.gz WAFONRTUJLSZAD-ZDUSSCGKSA-N 1 3 312.458 0.371 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001377793420 960674568 /nfs/dbraw/zinc/67/45/68/960674568.db2.gz WAFONRTUJLSZAD-ZDUSSCGKSA-N 1 3 312.458 0.371 20 0 DCADHO NC(=O)CNCC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001378403034 960705840 /nfs/dbraw/zinc/70/58/40/960705840.db2.gz KFDZJHBDOHGNRR-CQSZACIVSA-N 1 3 322.453 0.222 20 0 DCADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363260171 960723348 /nfs/dbraw/zinc/72/33/48/960723348.db2.gz PVHYZDYXLWNONA-QKPAOTATSA-N 1 3 307.438 0.671 20 0 DCADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363260171 960723359 /nfs/dbraw/zinc/72/33/59/960723359.db2.gz PVHYZDYXLWNONA-QKPAOTATSA-N 1 3 307.438 0.671 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)CN2CCCC2)CC1 ZINC001378424369 960737342 /nfs/dbraw/zinc/73/73/42/960737342.db2.gz HYMPIRFTGKABAM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO Cn1cnnc1C[C@]1(O)CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC001548945259 1013197226 /nfs/dbraw/zinc/19/72/26/1013197226.db2.gz FWXOYFGXPQIVGO-GOEBONIOSA-N 1 3 307.442 0.669 20 0 DCADHO Cn1cnnc1C[C@]1(O)CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC001548945259 1013197232 /nfs/dbraw/zinc/19/72/32/1013197232.db2.gz FWXOYFGXPQIVGO-GOEBONIOSA-N 1 3 307.442 0.669 20 0 DCADHO CCCC[C@@H](CNCC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001378445270 960771729 /nfs/dbraw/zinc/77/17/29/960771729.db2.gz WJZNKPDQKUJYAD-UONOGXRCSA-N 1 3 310.442 0.078 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001378554039 960998341 /nfs/dbraw/zinc/99/83/41/960998341.db2.gz RXQOUNSBPZPUDL-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO NC(C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)C(F)(F)F ZINC001549028765 1013232877 /nfs/dbraw/zinc/23/28/77/1013232877.db2.gz KHXVZHVXQQZMTC-AXFHLTTASA-N 1 3 305.275 0.968 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN(CC)CC)C1 ZINC001430203950 1013240946 /nfs/dbraw/zinc/24/09/46/1013240946.db2.gz FSRACCQFMSUASB-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CN(CC)CC)C1 ZINC001430203950 1013240952 /nfs/dbraw/zinc/24/09/52/1013240952.db2.gz FSRACCQFMSUASB-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)C2)nn1 ZINC001549047312 1013248373 /nfs/dbraw/zinc/24/83/73/1013248373.db2.gz OMKIFBPXKVSYPF-KBPBESRZSA-N 1 3 318.425 0.290 20 0 DCADHO CCNC(=O)C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001378962837 961770490 /nfs/dbraw/zinc/77/04/90/961770490.db2.gz OGLGGXJWXNSXKR-CYBMUJFWSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001378999761 961839351 /nfs/dbraw/zinc/83/93/51/961839351.db2.gz NQBOKSKMFYWTQJ-JSGCOSHPSA-N 1 3 300.447 0.049 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1cnn(C)c1)N(C)C ZINC001379765527 961979244 /nfs/dbraw/zinc/97/92/44/961979244.db2.gz HPBYTFYOCCYFKV-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1cnn(C)c1)N(C)C ZINC001379765527 961979248 /nfs/dbraw/zinc/97/92/48/961979248.db2.gz HPBYTFYOCCYFKV-ZBFHGGJFSA-N 1 3 323.485 0.985 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)C(C)(C)N1CCCC1)C1CC1 ZINC001379899516 962242256 /nfs/dbraw/zinc/24/22/56/962242256.db2.gz UCXQUQBMNSEJMD-OCCSQVGLSA-N 1 3 324.469 0.480 20 0 DCADHO Cn1nccc1CNC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001380078569 962621930 /nfs/dbraw/zinc/62/19/30/962621930.db2.gz WKHALQYNQURAMH-CQSZACIVSA-N 1 3 309.458 0.992 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NC2CC2)CC[N@@H+]1C ZINC001379355127 962700998 /nfs/dbraw/zinc/70/09/98/962700998.db2.gz BQABLSWZCXDBAH-KWCYVHTRSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC(=O)NC2CC2)CC[N@H+]1C ZINC001379355127 962701004 /nfs/dbraw/zinc/70/10/04/962701004.db2.gz BQABLSWZCXDBAH-KWCYVHTRSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001379381755 962778550 /nfs/dbraw/zinc/77/85/50/962778550.db2.gz LFIYRCQYRZDIPT-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001379382800 962782196 /nfs/dbraw/zinc/78/21/96/962782196.db2.gz QTNDWBZDYFASBM-OCCSQVGLSA-N 1 3 324.469 0.622 20 0 DCADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001379382800 962782216 /nfs/dbraw/zinc/78/22/16/962782216.db2.gz QTNDWBZDYFASBM-OCCSQVGLSA-N 1 3 324.469 0.622 20 0 DCADHO CNC(=O)c1cccc(CNC[C@@H](C)NC(=O)CC[NH+](C)C)c1 ZINC001379423009 962889504 /nfs/dbraw/zinc/88/95/04/962889504.db2.gz WHBPYUDZAGVAFR-CYBMUJFWSA-N 1 3 320.437 0.592 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001380261292 962943066 /nfs/dbraw/zinc/94/30/66/962943066.db2.gz CCWPOWZQTDRANY-OLZOCXBDSA-N 1 3 321.425 0.400 20 0 DCADHO CC(C)N(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001380282218 962985868 /nfs/dbraw/zinc/98/58/68/962985868.db2.gz CZNKJVAWYCHTBC-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001379509328 963094280 /nfs/dbraw/zinc/09/42/80/963094280.db2.gz RWROEOSQBJHONQ-UONOGXRCSA-N 1 3 315.458 0.353 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CN1CC[C@H](C)C1 ZINC001379550931 963171819 /nfs/dbraw/zinc/17/18/19/963171819.db2.gz KIBTWOOTEUCARD-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN[C@H]2CCCNC2=O)CC1 ZINC001379571048 963194346 /nfs/dbraw/zinc/19/43/46/963194346.db2.gz GRKFURGGFITLOY-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO CCN(C(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001379609761 963261639 /nfs/dbraw/zinc/26/16/39/963261639.db2.gz XWBROCYSLCKLDA-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001379703302 963403982 /nfs/dbraw/zinc/40/39/82/963403982.db2.gz CMUJCICJZVINCO-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CC[C@@H](N2CCC3(CN(C(=O)CC[NH+](C)C)C3)CC2)C1=O ZINC001380803835 963592522 /nfs/dbraw/zinc/59/25/22/963592522.db2.gz ODDQTDJEHYADFZ-CQSZACIVSA-N 1 3 322.453 0.093 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N(C)C ZINC001380839348 963622797 /nfs/dbraw/zinc/62/27/97/963622797.db2.gz VECWKPBNGOOYPE-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)N(C)C ZINC001380839348 963622799 /nfs/dbraw/zinc/62/27/99/963622799.db2.gz VECWKPBNGOOYPE-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO Cn1nccc1CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001380876741 963650035 /nfs/dbraw/zinc/65/00/35/963650035.db2.gz KRPMHKQQENQZQQ-UHFFFAOYSA-N 1 3 319.453 0.890 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)N(C)C ZINC001381215082 963898181 /nfs/dbraw/zinc/89/81/81/963898181.db2.gz YRHVVTCMICYSDP-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001430433957 1013465841 /nfs/dbraw/zinc/46/58/41/1013465841.db2.gz GYVXOFTZDFLECY-HNNXBMFYSA-N 1 3 324.469 0.243 20 0 DCADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001368880198 964091303 /nfs/dbraw/zinc/09/13/03/964091303.db2.gz QFAAPTPMLMZCKX-CHWSQXEVSA-N 1 3 320.437 0.591 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCn2cncn2)[C@@H](C)C1 ZINC001447571768 1013471180 /nfs/dbraw/zinc/47/11/80/1013471180.db2.gz TWRIDKBUZLWEEA-KBPBESRZSA-N 1 3 308.430 0.055 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)C(=O)N(C)C ZINC001375229964 964155471 /nfs/dbraw/zinc/15/54/71/964155471.db2.gz OSGAJFSJPWFUNC-IUODEOHRSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001375253526 964173069 /nfs/dbraw/zinc/17/30/69/964173069.db2.gz CAXLQPWOPQHLRC-DZGCQCFKSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC1CC1 ZINC001369281542 964648727 /nfs/dbraw/zinc/64/87/27/964648727.db2.gz DNLAXGJKWMTHAL-STQMWFEESA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001369288076 964659183 /nfs/dbraw/zinc/65/91/83/964659183.db2.gz PCVWGLNWQUADIA-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001369288076 964659188 /nfs/dbraw/zinc/65/91/88/964659188.db2.gz PCVWGLNWQUADIA-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CCNC(=O)C[NH2+]CC1(NC(=O)[C@H](CC)N(C)C)CCCC1 ZINC001373858954 964723354 /nfs/dbraw/zinc/72/33/54/964723354.db2.gz UDRFWRWRRIKGBN-ZDUSSCGKSA-N 1 3 312.458 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001375731621 964770360 /nfs/dbraw/zinc/77/03/60/964770360.db2.gz GOYFTIIUAKBMQN-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO Cc1cccc(CN[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001369378688 964856597 /nfs/dbraw/zinc/85/65/97/964856597.db2.gz HQSKAQISZPZQTL-MRXNPFEDSA-N 1 3 317.433 0.658 20 0 DCADHO Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)n[nH]1 ZINC001369431924 964966926 /nfs/dbraw/zinc/96/69/26/964966926.db2.gz CDTXLQOANAYSEV-DGCLKSJQSA-N 1 3 322.457 0.952 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)C1=O ZINC001374111812 965024333 /nfs/dbraw/zinc/02/43/33/965024333.db2.gz FWNUGLZFDHJSJM-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CCCC1)N(C)C ZINC001374161537 965085006 /nfs/dbraw/zinc/08/50/06/965085006.db2.gz BRGGVOWVSKAPAT-UONOGXRCSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)CC1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001374207715 965133844 /nfs/dbraw/zinc/13/38/44/965133844.db2.gz SNTTWJLZXMEACU-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO Cn1cc(CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)cn1 ZINC001369562696 965176619 /nfs/dbraw/zinc/17/66/19/965176619.db2.gz KLBYCQLWZZWICK-AWEZNQCLSA-N 1 3 309.458 0.992 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@@H+](CCC(C)C)C1 ZINC001376088587 965182141 /nfs/dbraw/zinc/18/21/41/965182141.db2.gz HAKDYRCUWLAARS-MRXNPFEDSA-N 1 3 308.426 0.860 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@H+](CCC(C)C)C1 ZINC001376088587 965182143 /nfs/dbraw/zinc/18/21/43/965182143.db2.gz HAKDYRCUWLAARS-MRXNPFEDSA-N 1 3 308.426 0.860 20 0 DCADHO C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374287568 965231263 /nfs/dbraw/zinc/23/12/63/965231263.db2.gz NOIFJFOVVPOCKE-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374312429 965264404 /nfs/dbraw/zinc/26/44/04/965264404.db2.gz LOJVKITVNGGMHZ-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374312429 965264418 /nfs/dbraw/zinc/26/44/18/965264418.db2.gz LOJVKITVNGGMHZ-KBPBESRZSA-N 1 3 307.442 0.698 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001376145743 965280903 /nfs/dbraw/zinc/28/09/03/965280903.db2.gz CJNPRQDYBQZZJT-MRXNPFEDSA-N 1 3 305.422 0.821 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCCC1 ZINC001374324963 965284662 /nfs/dbraw/zinc/28/46/62/965284662.db2.gz HACTYVVSOXXAPH-CYBMUJFWSA-N 1 3 307.442 0.761 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(=O)NC ZINC001374396045 965339922 /nfs/dbraw/zinc/33/99/22/965339922.db2.gz MBRUJJWBDZNEBW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(=O)NC ZINC001374396045 965339936 /nfs/dbraw/zinc/33/99/36/965339936.db2.gz MBRUJJWBDZNEBW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001376288931 965483698 /nfs/dbraw/zinc/48/36/98/965483698.db2.gz BRWSMTGNCIHUPJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001376288931 965483702 /nfs/dbraw/zinc/48/37/02/965483702.db2.gz BRWSMTGNCIHUPJ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N(C)CC)C1 ZINC001376326378 965522774 /nfs/dbraw/zinc/52/27/74/965522774.db2.gz ZJUGKCVFUUIIJA-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC(=O)N(C)CC)C1 ZINC001376326378 965522787 /nfs/dbraw/zinc/52/27/87/965522787.db2.gz ZJUGKCVFUUIIJA-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N(C)C3CC3)C2)C1 ZINC001376329970 965529891 /nfs/dbraw/zinc/52/98/91/965529891.db2.gz KCBUHCAHNHZIPL-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N(C)C3CC3)C2)C1 ZINC001376329970 965529903 /nfs/dbraw/zinc/52/99/03/965529903.db2.gz KCBUHCAHNHZIPL-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO Cn1cc(CN2CC[C@H]3CN(C(=O)CC[NH+](C)C)CC[C@H]32)cn1 ZINC001374560804 965533759 /nfs/dbraw/zinc/53/37/59/965533759.db2.gz FUUAPHMJCLCJFC-JKSUJKDBSA-N 1 3 319.453 0.795 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N[C@@H](C)C2CC2)C1)N(C)C ZINC001376335452 965535654 /nfs/dbraw/zinc/53/56/54/965535654.db2.gz YJAJGJFJKMLGMF-QEJZJMRPSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NC2CC2)C1 ZINC001376342084 965546237 /nfs/dbraw/zinc/54/62/37/965546237.db2.gz ITCRDYMIDUKIIL-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCN1CCC([NH2+]CC2CC2)CC1)N(C)C ZINC001376436564 965651882 /nfs/dbraw/zinc/65/18/82/965651882.db2.gz MHMNPQAIVHQWMX-INIZCTEOSA-N 1 3 310.486 0.907 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001370018031 965698280 /nfs/dbraw/zinc/69/82/80/965698280.db2.gz OAGVMQLPCMEQKV-KBPBESRZSA-N 1 3 320.441 0.298 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001376472398 965703179 /nfs/dbraw/zinc/70/31/79/965703179.db2.gz CNOFOWCDFHHCHR-IJEWVQPXSA-N 1 3 324.469 0.336 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(N)=O ZINC001376474711 965704826 /nfs/dbraw/zinc/70/48/26/965704826.db2.gz DWUXJDJABCWWOZ-XQLPTFJDSA-N 1 3 324.469 0.609 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001376478765 965712111 /nfs/dbraw/zinc/71/21/11/965712111.db2.gz OQAGENLPAQCEOV-TUVASFSCSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)CC(C)(C)C ZINC001374702682 965783412 /nfs/dbraw/zinc/78/34/12/965783412.db2.gz KMBJPTSBYKGHQV-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374754603 965867397 /nfs/dbraw/zinc/86/73/97/965867397.db2.gz OUBWLCVDFCMYEB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374754603 965867411 /nfs/dbraw/zinc/86/74/11/965867411.db2.gz OUBWLCVDFCMYEB-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001370216516 965895528 /nfs/dbraw/zinc/89/55/28/965895528.db2.gz QSJGNVADMXJEGL-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)C1CC1 ZINC001370265135 965935457 /nfs/dbraw/zinc/93/54/57/965935457.db2.gz MEYRZARTNFJJFG-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001376674509 965969261 /nfs/dbraw/zinc/96/92/61/965969261.db2.gz GOZYXELYGISMQH-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376674509 965969274 /nfs/dbraw/zinc/96/92/74/965969274.db2.gz GOZYXELYGISMQH-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)CN(C)CC(C)(C)C ZINC001374815425 965971505 /nfs/dbraw/zinc/97/15/05/965971505.db2.gz ZDWCFLWDSIKAGM-CHWSQXEVSA-N 1 3 314.474 0.535 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001430607491 1013620497 /nfs/dbraw/zinc/62/04/97/1013620497.db2.gz IJCOZHAAKKEVAY-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001430607491 1013620495 /nfs/dbraw/zinc/62/04/95/1013620495.db2.gz IJCOZHAAKKEVAY-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC(C)C)C1 ZINC001370408616 966091686 /nfs/dbraw/zinc/09/16/86/966091686.db2.gz YEJOOIWIBMRMEN-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC(C)C)C1 ZINC001370408616 966091694 /nfs/dbraw/zinc/09/16/94/966091694.db2.gz YEJOOIWIBMRMEN-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001370548291 966232948 /nfs/dbraw/zinc/23/29/48/966232948.db2.gz OTVHCRPNFGJBFR-UMVBOHGHSA-N 1 3 322.457 0.621 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001370550708 966237553 /nfs/dbraw/zinc/23/75/53/966237553.db2.gz ZPKJEYNITBPHPD-FMKGYKFTSA-N 1 3 310.442 0.231 20 0 DCADHO C[C@@H](NCc1cnnn1C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447907337 1013641058 /nfs/dbraw/zinc/64/10/58/1013641058.db2.gz ROVOHQOOXFSYJB-VXGBXAGGSA-N 1 3 308.430 0.140 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001381475788 966446684 /nfs/dbraw/zinc/44/66/84/966446684.db2.gz RXGDKQBECOCPAA-ZDUSSCGKSA-N 1 3 312.458 0.419 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CCCN(CCF)C1 ZINC001370791539 966483102 /nfs/dbraw/zinc/48/31/02/966483102.db2.gz ORLQUIOTILWRMA-CABCVRRESA-N 1 3 315.433 0.752 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](CCF)C1 ZINC001370791539 966483106 /nfs/dbraw/zinc/48/31/06/966483106.db2.gz ORLQUIOTILWRMA-CABCVRRESA-N 1 3 315.433 0.752 20 0 DCADHO C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](CCF)C1 ZINC001370791539 966483112 /nfs/dbraw/zinc/48/31/12/966483112.db2.gz ORLQUIOTILWRMA-CABCVRRESA-N 1 3 315.433 0.752 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001382069889 966912385 /nfs/dbraw/zinc/91/23/85/966912385.db2.gz PWKBCDSKYIAVRS-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001371379053 966945757 /nfs/dbraw/zinc/94/57/57/966945757.db2.gz QNAZTKUQBCIDGO-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001382113747 966950502 /nfs/dbraw/zinc/95/05/02/966950502.db2.gz BQPVYHDTYIZPHL-RYUDHWBXSA-N 1 3 300.447 0.275 20 0 DCADHO CCN1CC[C@@H](N[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001371387545 966955836 /nfs/dbraw/zinc/95/58/36/966955836.db2.gz QKBIGCJJMZKMPA-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001371433725 966988485 /nfs/dbraw/zinc/98/84/85/966988485.db2.gz VQJBPAISVYAUDG-OLZOCXBDSA-N 1 3 308.430 0.202 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001382165816 966998643 /nfs/dbraw/zinc/99/86/43/966998643.db2.gz MTUIRTLJWPJCCO-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001371464449 967012527 /nfs/dbraw/zinc/01/25/27/967012527.db2.gz ATGOBNUNKDPNGT-GXTWGEPZSA-N 1 3 306.410 0.636 20 0 DCADHO COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001371464449 967012532 /nfs/dbraw/zinc/01/25/32/967012532.db2.gz ATGOBNUNKDPNGT-GXTWGEPZSA-N 1 3 306.410 0.636 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001382220274 967085369 /nfs/dbraw/zinc/08/53/69/967085369.db2.gz WOQNOWXKYFVEFO-JKSUJKDBSA-N 1 3 307.438 0.902 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001382244918 967114180 /nfs/dbraw/zinc/11/41/80/967114180.db2.gz HKIMUTKMYSOILG-WDEREUQCSA-N 1 3 311.348 0.347 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCC(F)(F)F)C1 ZINC001382244903 967114649 /nfs/dbraw/zinc/11/46/49/967114649.db2.gz HKIMUTKMYSOILG-GHMZBOCLSA-N 1 3 311.348 0.347 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001371610766 967169845 /nfs/dbraw/zinc/16/98/45/967169845.db2.gz DHOXZZZYIHXYTR-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001371613957 967171919 /nfs/dbraw/zinc/17/19/19/967171919.db2.gz IGIGXRHTYAWMKD-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN(C)C(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001371624701 967181154 /nfs/dbraw/zinc/18/11/54/967181154.db2.gz FQAFRASTRNPZNS-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001382374534 967285573 /nfs/dbraw/zinc/28/55/73/967285573.db2.gz DURFYXSCLCFECZ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001371979832 967511938 /nfs/dbraw/zinc/51/19/38/967511938.db2.gz LVEFQLPBKXWXPZ-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001448036246 1013730030 /nfs/dbraw/zinc/73/00/30/1013730030.db2.gz IZQVMKIMDVIVLC-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001448036246 1013730035 /nfs/dbraw/zinc/73/00/35/1013730035.db2.gz IZQVMKIMDVIVLC-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCn1cccn1 ZINC001372329188 967900700 /nfs/dbraw/zinc/90/07/00/967900700.db2.gz YHINPYSUTMOSCM-MRXNPFEDSA-N 1 3 319.453 0.663 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001372559825 968122190 /nfs/dbraw/zinc/12/21/90/968122190.db2.gz QIWPQZPSFSAXRW-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001372559825 968122195 /nfs/dbraw/zinc/12/21/95/968122195.db2.gz QIWPQZPSFSAXRW-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCCCN2C)C1=O ZINC001372932390 968541854 /nfs/dbraw/zinc/54/18/54/968541854.db2.gz BEEVVSVTCPQKHX-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CC[C@@H](N2CC[C@H](CCNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001373221756 968823659 /nfs/dbraw/zinc/82/36/59/968823659.db2.gz FHADANKKPINFOP-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001373286997 968901161 /nfs/dbraw/zinc/90/11/61/968901161.db2.gz HFBBYRSDBWGKEA-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001373286997 968901164 /nfs/dbraw/zinc/90/11/64/968901164.db2.gz HFBBYRSDBWGKEA-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](O)CCCN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373508719 969173953 /nfs/dbraw/zinc/17/39/53/969173953.db2.gz QJGZJZCTDBCIDT-XJKSGUPXSA-N 1 3 309.454 0.537 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001448502829 1013934782 /nfs/dbraw/zinc/93/47/82/1013934782.db2.gz OXKACEJCZARDOC-JOCQHMNTSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CC(=O)NC(C)(C)C ZINC001448661792 1013986806 /nfs/dbraw/zinc/98/68/06/1013986806.db2.gz NNAQWBNZIHGMLI-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)CN1CCCC1 ZINC001431333099 1014000984 /nfs/dbraw/zinc/00/09/84/1014000984.db2.gz SCVVTCUJBJEGKX-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)CN1CCCC1 ZINC001431333099 1014000987 /nfs/dbraw/zinc/00/09/87/1014000987.db2.gz SCVVTCUJBJEGKX-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[C@H]3CNCCO3)CC2)C1 ZINC001549049119 1014123382 /nfs/dbraw/zinc/12/33/82/1014123382.db2.gz HKYVYLHILNTSNR-ILXRZTDVSA-N 1 3 311.426 0.110 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCCC2)C[C@H]1C ZINC001449022573 1014139697 /nfs/dbraw/zinc/13/96/97/1014139697.db2.gz VYVDAHCDUMUNOR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCCC2)C[C@H]1C ZINC001449022573 1014139700 /nfs/dbraw/zinc/13/97/00/1014139700.db2.gz VYVDAHCDUMUNOR-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH2+]CC3)C2)nn1 ZINC001549123704 1014140704 /nfs/dbraw/zinc/14/07/04/1014140704.db2.gz FZJSRELMWUPYRA-TZMCWYRMSA-N 1 3 306.414 0.290 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001549292152 1014198207 /nfs/dbraw/zinc/19/82/07/1014198207.db2.gz PVVSFRAXPXGTQU-GOEBONIOSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001528138950 1014215322 /nfs/dbraw/zinc/21/53/22/1014215322.db2.gz DIHRUTYLSADUEJ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001528138950 1014215331 /nfs/dbraw/zinc/21/53/31/1014215331.db2.gz DIHRUTYLSADUEJ-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001528666107 1014377615 /nfs/dbraw/zinc/37/76/15/1014377615.db2.gz KGILBKDCWYKFSV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001528666107 1014377626 /nfs/dbraw/zinc/37/76/26/1014377626.db2.gz KGILBKDCWYKFSV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001449679967 1014629617 /nfs/dbraw/zinc/62/96/17/1014629617.db2.gz MJIYTFNBFJCVJU-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550482456 1014726773 /nfs/dbraw/zinc/72/67/73/1014726773.db2.gz DLODIUTXHBFZFR-WTTBNOFXSA-N 1 3 311.470 0.924 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@@H]1O ZINC001550482456 1014726780 /nfs/dbraw/zinc/72/67/80/1014726780.db2.gz DLODIUTXHBFZFR-WTTBNOFXSA-N 1 3 311.470 0.924 20 0 DCADHO [NH3+][C@@H]1CC12CC(NC(=O)NC[C@H]1Cc3ccccc3CN1)C2 ZINC001550754321 1014840429 /nfs/dbraw/zinc/84/04/29/1014840429.db2.gz HMSJUACRCZZYFZ-HCEZTOJASA-N 1 3 300.406 0.880 20 0 DCADHO CN(C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)[C@H]1CCN(C)C1 ZINC001550756354 1014844046 /nfs/dbraw/zinc/84/40/46/1014844046.db2.gz PZWRUNHZKBQLGA-KGLIPLIRSA-N 1 3 310.442 0.491 20 0 DCADHO CC1(C)C[NH2+]C[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550763303 1014851916 /nfs/dbraw/zinc/85/19/16/1014851916.db2.gz LDETWQSJCWBGQD-HUUCEWRRSA-N 1 3 302.422 0.998 20 0 DCADHO [NH3+]CC1(c2ccccc2)CC(NC(=O)N2CCNC[C@H](O)C2)C1 ZINC001551478387 1015109241 /nfs/dbraw/zinc/10/92/41/1015109241.db2.gz IEDXKUPSYDESAM-CKDBGZEDSA-N 1 3 318.421 0.021 20 0 DCADHO CC1(N2CCOCC2)CCC(NC(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC001551496344 1015116695 /nfs/dbraw/zinc/11/66/95/1015116695.db2.gz HWUJEZIECTWZLK-HPUBIQBYSA-N 1 3 324.469 0.929 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)N[C@H]2Cc3ccccc3[C@H]2[NH3+])CCO1 ZINC001551524891 1015125714 /nfs/dbraw/zinc/12/57/14/1015125714.db2.gz RNABFSVAKLGXSL-VNQPRFMTSA-N 1 3 318.421 0.583 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)[C@@H]1CCCN1C)C(=O)CC[NH+](C)C ZINC001384420810 985565371 /nfs/dbraw/zinc/56/53/71/985565371.db2.gz CGTADMZYGKVGMA-KBPBESRZSA-N 1 3 310.442 0.092 20 0 DCADHO [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@H]3[C@@H]1CCCN3CCO)C2 ZINC001551572609 1015142716 /nfs/dbraw/zinc/14/27/16/1015142716.db2.gz ZVBKXMAKWSXONH-GARWAMKOSA-N 1 3 308.426 0.107 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001384476933 985610689 /nfs/dbraw/zinc/61/06/89/985610689.db2.gz FJQVZNHUJBJTTR-APIJFGDWSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001384476933 985610696 /nfs/dbraw/zinc/61/06/96/985610696.db2.gz FJQVZNHUJBJTTR-APIJFGDWSA-N 1 3 324.469 0.289 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001525478825 1015150255 /nfs/dbraw/zinc/15/02/55/1015150255.db2.gz WCEOEAOUKCCLOT-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001525478825 1015150264 /nfs/dbraw/zinc/15/02/64/1015150264.db2.gz WCEOEAOUKCCLOT-MCIONIFRSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001385088102 986079245 /nfs/dbraw/zinc/07/92/45/986079245.db2.gz QEBGNAXBFXYIBL-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO C[NH+](C)CCCC(=O)NC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001385457629 986361775 /nfs/dbraw/zinc/36/17/75/986361775.db2.gz UKNQOHIATMCVRK-UHFFFAOYSA-N 1 3 321.425 0.401 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385488360 986381133 /nfs/dbraw/zinc/38/11/33/986381133.db2.gz OPIJLVPKKGWKPH-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385488360 986381138 /nfs/dbraw/zinc/38/11/38/986381138.db2.gz OPIJLVPKKGWKPH-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001385757205 986572669 /nfs/dbraw/zinc/57/26/69/986572669.db2.gz SWTQSQIPFOPMTP-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO COC1CCN(CCNC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC001552155847 1015295295 /nfs/dbraw/zinc/29/52/95/1015295295.db2.gz XQRUPWTUBJOEJV-HOTGVXAUSA-N 1 3 309.454 0.849 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CCN[C@@H](C(C)C)C2)cnn1C ZINC001552162449 1015296335 /nfs/dbraw/zinc/29/63/35/1015296335.db2.gz AIUIRLUWHYZEHU-HRCADAONSA-N 1 3 319.453 0.488 20 0 DCADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N[C@H]2CCN(C3CC3)C2)cnn1C ZINC001552169181 1015304267 /nfs/dbraw/zinc/30/42/67/1015304267.db2.gz ZGASZGAYPDQRPS-RCBQFDQVSA-N 1 3 317.437 0.384 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001387133703 987652252 /nfs/dbraw/zinc/65/22/52/987652252.db2.gz IMXUDOWEEWSRGA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001387133703 987652259 /nfs/dbraw/zinc/65/22/59/987652259.db2.gz IMXUDOWEEWSRGA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(Cc1n[nH]c([C@@H]2C[C@@H](F)CN2)n1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC001552257248 1015354439 /nfs/dbraw/zinc/35/44/39/1015354439.db2.gz LBFYVAMKSHNMME-UTUOFQBUSA-N 1 3 324.404 0.525 20 0 DCADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001388329864 988208242 /nfs/dbraw/zinc/20/82/42/988208242.db2.gz XITOZDSZBRPQMH-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001388329864 988208250 /nfs/dbraw/zinc/20/82/50/988208250.db2.gz XITOZDSZBRPQMH-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001387972766 988341767 /nfs/dbraw/zinc/34/17/67/988341767.db2.gz KMUDBAMTGAMSKW-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H](O)CCCN1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001388648846 988474785 /nfs/dbraw/zinc/47/47/85/988474785.db2.gz ANLSCVNBNINTSB-HUUCEWRRSA-N 1 3 309.454 0.776 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCN1C ZINC001388766899 988571399 /nfs/dbraw/zinc/57/13/99/988571399.db2.gz XEUQNCYUTZPSTH-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CC(NC(=O)CC[NH+]2CCCCC2)C1)N(C)C ZINC001389240272 989017362 /nfs/dbraw/zinc/01/73/62/989017362.db2.gz FTLASKHWWKOEHK-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001389249354 989029878 /nfs/dbraw/zinc/02/98/78/989029878.db2.gz MVWIODXASLEWPB-ZIAGYGMSSA-N 1 3 324.469 0.526 20 0 DCADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)N(C)C ZINC001389270768 989055447 /nfs/dbraw/zinc/05/54/47/989055447.db2.gz VXRATDSXUTTZOP-KGLIPLIRSA-N 1 3 312.458 0.240 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001389366024 989164087 /nfs/dbraw/zinc/16/40/87/989164087.db2.gz CGWJODGGHGKCHH-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001389412377 989216312 /nfs/dbraw/zinc/21/63/12/989216312.db2.gz AICKMIPCPXGPAW-UHFFFAOYSA-N 1 3 308.470 0.759 20 0 DCADHO CC[C@H](CNC(=O)CN(CC)CC)NC(=O)C12CC[NH+](CC1)C2 ZINC001450939769 1015468625 /nfs/dbraw/zinc/46/86/25/1015468625.db2.gz QGILXFNTABOKAJ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC(=O)NC[C@H]1CCN1C(=O)CCC[NH+](C)C)C1CCC1 ZINC001389653955 989467196 /nfs/dbraw/zinc/46/71/96/989467196.db2.gz FDMPELHTNAGHNZ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)CC[NH+](C)C ZINC001450962878 1015487233 /nfs/dbraw/zinc/48/72/33/1015487233.db2.gz AURGPFPTQGXUJX-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)C[C@H]1n1ccnn1 ZINC001552679712 1015488785 /nfs/dbraw/zinc/48/87/85/1015488785.db2.gz JHGUNALDRRVKDO-QLFBSQMISA-N 1 3 312.377 0.223 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCO1 ZINC001552699035 1015496627 /nfs/dbraw/zinc/49/66/27/1015496627.db2.gz JVFJUZGEQUTXFD-CYBMUJFWSA-N 1 3 321.425 0.279 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001527562284 1015501751 /nfs/dbraw/zinc/50/17/51/1015501751.db2.gz MDKAGDYVFGGRJS-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001527562284 1015501764 /nfs/dbraw/zinc/50/17/64/1015501764.db2.gz MDKAGDYVFGGRJS-YPMHNXCESA-N 1 3 321.425 0.223 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001450982732 1015504350 /nfs/dbraw/zinc/50/43/50/1015504350.db2.gz YTCGXHPHOGHCBU-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001390106151 989826621 /nfs/dbraw/zinc/82/66/21/989826621.db2.gz SSLMCTYXLPXXIR-CQSZACIVSA-N 1 3 324.469 0.480 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001390106151 989826626 /nfs/dbraw/zinc/82/66/26/989826626.db2.gz SSLMCTYXLPXXIR-CQSZACIVSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001390511941 990162683 /nfs/dbraw/zinc/16/26/83/990162683.db2.gz VQJRMKIFFLIHRO-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001390535265 990181371 /nfs/dbraw/zinc/18/13/71/990181371.db2.gz OTQXSCPYMCAOEA-OLZOCXBDSA-N 1 3 320.437 0.591 20 0 DCADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)CC1 ZINC001390558648 990198504 /nfs/dbraw/zinc/19/85/04/990198504.db2.gz UIDHCCWHTIFRBW-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001390563027 990201820 /nfs/dbraw/zinc/20/18/20/990201820.db2.gz BBDQPPPGQTVGAF-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO N[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[C@@H]1F ZINC001552915759 1015563530 /nfs/dbraw/zinc/56/35/30/1015563530.db2.gz RNAPUAQNOOTHAZ-QWHCGFSZSA-N 1 3 307.373 0.003 20 0 DCADHO CCN1CCN(CCN(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001391330912 990752193 /nfs/dbraw/zinc/75/21/93/990752193.db2.gz RHRBLYDGEMUAFX-UHFFFAOYSA-N 1 3 308.470 0.711 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)N(C)C ZINC001391344033 990763277 /nfs/dbraw/zinc/76/32/77/990763277.db2.gz YGMVVBXSLRJLMV-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)N(C)C ZINC001391344033 990763281 /nfs/dbraw/zinc/76/32/81/990763281.db2.gz YGMVVBXSLRJLMV-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCCC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001392046932 991430870 /nfs/dbraw/zinc/43/08/70/991430870.db2.gz CDMZISCRYPQHBY-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392060086 991451485 /nfs/dbraw/zinc/45/14/85/991451485.db2.gz KARGCFGKOWAURW-CJNGLKHVSA-N 1 3 319.453 0.698 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392121244 991519081 /nfs/dbraw/zinc/51/90/81/991519081.db2.gz JRMORCFNIRTJCZ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001392121249 991519144 /nfs/dbraw/zinc/51/91/44/991519144.db2.gz JRMORCFNIRTJCZ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1CNCC(N)=O ZINC001392195034 991595350 /nfs/dbraw/zinc/59/53/50/991595350.db2.gz JYCMLWLPCYXYSO-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001392458138 991948947 /nfs/dbraw/zinc/94/89/47/991948947.db2.gz INCGSXWGBLQVBZ-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392560287 992094207 /nfs/dbraw/zinc/09/42/07/992094207.db2.gz FWMPOPACDPRNHX-WFASDCNBSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001392726722 992326317 /nfs/dbraw/zinc/32/63/17/992326317.db2.gz SMAONCPEPRHQBG-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CN(C)CCc1cnn(C)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001392726722 992326327 /nfs/dbraw/zinc/32/63/27/992326327.db2.gz SMAONCPEPRHQBG-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392813786 992419456 /nfs/dbraw/zinc/41/94/56/992419456.db2.gz SYBBRYFSZUULOK-HOCLYGCPSA-N 1 3 319.453 0.665 20 0 DCADHO Cc1nn(C)cc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392813786 992419463 /nfs/dbraw/zinc/41/94/63/992419463.db2.gz SYBBRYFSZUULOK-HOCLYGCPSA-N 1 3 319.453 0.665 20 0 DCADHO CC(C)[C@H](C(=O)NCC1(N[C@H](C)C(=O)N(C)C)CC1)[NH+](C)C ZINC001392926750 992551825 /nfs/dbraw/zinc/55/18/25/992551825.db2.gz HNNPGQJBPUCSKG-CHWSQXEVSA-N 1 3 312.458 0.288 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@]2(CCN([C@H]3CCCNC3=O)C2)C1 ZINC001392990727 992607708 /nfs/dbraw/zinc/60/77/08/992607708.db2.gz GSYOVSUTGAGBDE-WMLDXEAASA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H]1C[C@@H](NCc2ccn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001393038685 992644078 /nfs/dbraw/zinc/64/40/78/992644078.db2.gz PWDZZBBVTKVVIM-KBPBESRZSA-N 1 3 307.442 0.841 20 0 DCADHO CCCNC(=O)CNC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001393051708 992651179 /nfs/dbraw/zinc/65/11/79/992651179.db2.gz GJRBEQKUQVSRSL-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CNCC(N)=O)[NH+]1CCCC1 ZINC001393051016 992651581 /nfs/dbraw/zinc/65/15/81/992651581.db2.gz GGAOTRIVNJLRHL-ZFWWWQNUSA-N 1 3 310.442 0.173 20 0 DCADHO CN(CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CCCC1)C1CCC1 ZINC001393073540 992667151 /nfs/dbraw/zinc/66/71/51/992667151.db2.gz DIYGREDZVIVDEX-AWEZNQCLSA-N 1 3 310.442 0.221 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC1 ZINC001393080800 992668536 /nfs/dbraw/zinc/66/85/36/992668536.db2.gz MBBPDDVVVMSAPM-AWEZNQCLSA-N 1 3 310.442 0.078 20 0 DCADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CCCC1)N(C)C ZINC001393090404 992672946 /nfs/dbraw/zinc/67/29/46/992672946.db2.gz UIYURQDDOKYEFH-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001393158629 992722494 /nfs/dbraw/zinc/72/24/94/992722494.db2.gz JBOMNHVKHWHFRE-RHSMWYFYSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001393448531 992999541 /nfs/dbraw/zinc/99/95/41/992999541.db2.gz XBYNAKHNBWSAFH-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001393473669 993019739 /nfs/dbraw/zinc/01/97/39/993019739.db2.gz NMTIDYHZDDNBOP-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001393579982 993101630 /nfs/dbraw/zinc/10/16/30/993101630.db2.gz AYEYPMNCBKOSSH-CABCVRRESA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001393739362 993213249 /nfs/dbraw/zinc/21/32/49/993213249.db2.gz HVPSZIHOSVHKOH-KBPBESRZSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CC(=O)N2CCC2)CC1)N(C)C ZINC001393737590 993214842 /nfs/dbraw/zinc/21/48/42/993214842.db2.gz RRJJHPWWXLBMFF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)C2(C[NH+](C)C)CC2)CC1)N(C)C ZINC001393849626 993296213 /nfs/dbraw/zinc/29/62/13/993296213.db2.gz NWPSULVINAIAGJ-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001393861649 993303386 /nfs/dbraw/zinc/30/33/86/993303386.db2.gz UAIZQTSVCCSUGK-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001393968990 993379895 /nfs/dbraw/zinc/37/98/95/993379895.db2.gz AMSLYKADVKXXAG-CHWSQXEVSA-N 1 3 314.474 0.583 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCO)C[C@H]2C1 ZINC001394342427 993634635 /nfs/dbraw/zinc/63/46/35/993634635.db2.gz CNOSBUVOXGOFSD-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCO)C[C@H]2C1 ZINC001394342427 993634640 /nfs/dbraw/zinc/63/46/40/993634640.db2.gz CNOSBUVOXGOFSD-ARFHVFGLSA-N 1 3 311.470 0.926 20 0 DCADHO CN(CC(=O)N1CCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001394391965 993675809 /nfs/dbraw/zinc/67/58/09/993675809.db2.gz MZOGSZFOCJLATD-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001399702969 993686115 /nfs/dbraw/zinc/68/61/15/993686115.db2.gz AKCLGUGZOKRERP-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001399702969 993686120 /nfs/dbraw/zinc/68/61/20/993686120.db2.gz AKCLGUGZOKRERP-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCc1ccnn1C ZINC001399765996 993751813 /nfs/dbraw/zinc/75/18/13/993751813.db2.gz MSDAVWPFPFEULX-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CCc1ccnn1C ZINC001399765996 993751816 /nfs/dbraw/zinc/75/18/16/993751816.db2.gz MSDAVWPFPFEULX-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC1CC1 ZINC001394518080 993794369 /nfs/dbraw/zinc/79/43/69/993794369.db2.gz BFYRFSKQRNAJLW-LBPRGKRZSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001394534384 993807559 /nfs/dbraw/zinc/80/75/59/993807559.db2.gz AMSTVZXWACLCFK-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001394565455 993836961 /nfs/dbraw/zinc/83/69/61/993836961.db2.gz FTZDCYOCTLYYCQ-CYBMUJFWSA-N 1 3 322.457 0.926 20 0 DCADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCC(=O)N1CCC1 ZINC001394566653 993837199 /nfs/dbraw/zinc/83/71/99/993837199.db2.gz LZPPAXUUKABGAZ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)CC)C[C@@H]1C ZINC001394667141 993993936 /nfs/dbraw/zinc/99/39/36/993993936.db2.gz HSQFPVITVKMFCD-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccnn2C)[C@@H]1C ZINC001394680611 994016461 /nfs/dbraw/zinc/01/64/61/994016461.db2.gz UFXFGZWBZZUPQQ-GOEBONIOSA-N 1 3 321.469 0.882 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001400063285 994121377 /nfs/dbraw/zinc/12/13/77/994121377.db2.gz FLFYJXFMTPNKHD-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001400063285 994121383 /nfs/dbraw/zinc/12/13/83/994121383.db2.gz FLFYJXFMTPNKHD-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001400487641 994573944 /nfs/dbraw/zinc/57/39/44/994573944.db2.gz XOBYTHORXXPAFR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001400487641 994573956 /nfs/dbraw/zinc/57/39/56/994573956.db2.gz XOBYTHORXXPAFR-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001400488970 994577933 /nfs/dbraw/zinc/57/79/33/994577933.db2.gz XZWPEEBWXNGUBJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001400488970 994577943 /nfs/dbraw/zinc/57/79/43/994577943.db2.gz XZWPEEBWXNGUBJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C(C)C ZINC001507033795 1015908467 /nfs/dbraw/zinc/90/84/67/1015908467.db2.gz AEQMNVXRYFDGTG-GXTWGEPZSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507037952 1015910288 /nfs/dbraw/zinc/91/02/88/1015910288.db2.gz WSPITWLVGJHNQV-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507037952 1015910301 /nfs/dbraw/zinc/91/03/01/1015910301.db2.gz WSPITWLVGJHNQV-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@]1(C[NH2+]CC(N)=O)CCCC[C@H]1C ZINC001401048968 995136601 /nfs/dbraw/zinc/13/66/01/995136601.db2.gz JEQRUDUDQQVOAR-CZUORRHYSA-N 1 3 312.458 0.467 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC2(CCN([C@H](C)C(N)=O)C2)CC1 ZINC001401089630 995165562 /nfs/dbraw/zinc/16/55/62/995165562.db2.gz OVVXYMGBNKWDLJ-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC2(CCN([C@H](C)C(N)=O)C2)CC1 ZINC001401089630 995165567 /nfs/dbraw/zinc/16/55/67/995165567.db2.gz OVVXYMGBNKWDLJ-CQSZACIVSA-N 1 3 324.469 0.517 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2CC)C1)N(C)C ZINC001397134472 995817045 /nfs/dbraw/zinc/81/70/45/995817045.db2.gz KYRQXUNUIGDZGZ-UMVBOHGHSA-N 1 3 322.457 0.623 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001397159490 995833440 /nfs/dbraw/zinc/83/34/40/995833440.db2.gz GCFZXSCVPFRWKT-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1ccnn1C ZINC001507125314 1016004856 /nfs/dbraw/zinc/00/48/56/1016004856.db2.gz HPEQVHMAVRDVFA-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCc1ccnn1C ZINC001507125314 1016004868 /nfs/dbraw/zinc/00/48/68/1016004868.db2.gz HPEQVHMAVRDVFA-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC(=O)N1CCC1 ZINC001507134712 1016015792 /nfs/dbraw/zinc/01/57/92/1016015792.db2.gz HRZYNNDTUMEFMU-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCCNC1=O ZINC001507129898 1016010776 /nfs/dbraw/zinc/01/07/76/1016010776.db2.gz LGNCEEXVLUSNGZ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001398595948 996595321 /nfs/dbraw/zinc/59/53/21/996595321.db2.gz IPRFKXYFAYXNCW-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001398595948 996595326 /nfs/dbraw/zinc/59/53/26/996595326.db2.gz IPRFKXYFAYXNCW-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2=O)C1)N(C)C ZINC001398626884 996611493 /nfs/dbraw/zinc/61/14/93/996611493.db2.gz PCEQDGKVZXAFES-CRWXNKLISA-N 1 3 310.442 0.184 20 0 DCADHO CN(C)C1(C(=O)NCC2CN(C(=O)CCC[NH+](C)C)C2)CCC1 ZINC001398778122 996682947 /nfs/dbraw/zinc/68/29/47/996682947.db2.gz YQCLNUCXONOMAT-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@@H](O)C[NH2+]C1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001398849490 996713751 /nfs/dbraw/zinc/71/37/51/996713751.db2.gz PRBDNOLMHFWJCB-NRXISQOPSA-N 1 3 315.458 0.351 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCN(CC)C1=O ZINC001404325320 996981506 /nfs/dbraw/zinc/98/15/06/996981506.db2.gz OSVZXTJPHJMIBH-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCN(CC)C1=O ZINC001404325320 996981518 /nfs/dbraw/zinc/98/15/18/996981518.db2.gz OSVZXTJPHJMIBH-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001399181844 997064221 /nfs/dbraw/zinc/06/42/21/997064221.db2.gz KUAKITUOPWJCEP-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001399247636 997121227 /nfs/dbraw/zinc/12/12/27/997121227.db2.gz SQNNYMNJZBLHGP-ZDUSSCGKSA-N 1 3 312.458 0.148 20 0 DCADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001399266488 997139769 /nfs/dbraw/zinc/13/97/69/997139769.db2.gz LDMVBSGFTJTVKX-QWHCGFSZSA-N 1 3 312.458 0.467 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(CCCN2CCCC2=O)C1 ZINC001405014352 997684911 /nfs/dbraw/zinc/68/49/11/997684911.db2.gz CQXQFJZHKSBGIO-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(CC)C1CC1 ZINC001405356738 998147807 /nfs/dbraw/zinc/14/78/07/998147807.db2.gz YXFLUUPSUUQQHH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(CC)C1CC1 ZINC001405356738 998147815 /nfs/dbraw/zinc/14/78/15/998147815.db2.gz YXFLUUPSUUQQHH-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001405488197 998267763 /nfs/dbraw/zinc/26/77/63/998267763.db2.gz PCNBXDOXAQXJPG-CJNGLKHVSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001405488202 998268395 /nfs/dbraw/zinc/26/83/95/998268395.db2.gz PCNBXDOXAQXJPG-CZUORRHYSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001405488208 998269593 /nfs/dbraw/zinc/26/95/93/998269593.db2.gz PCNBXDOXAQXJPG-XJKSGUPXSA-N 1 3 310.442 0.090 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001405774969 998550337 /nfs/dbraw/zinc/55/03/37/998550337.db2.gz PJWGHYPJASPEDA-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001405774969 998550348 /nfs/dbraw/zinc/55/03/48/998550348.db2.gz PJWGHYPJASPEDA-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401232143 1000292935 /nfs/dbraw/zinc/29/29/35/1000292935.db2.gz FBIHDFRQYVXBQR-CQSZACIVSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240156 1000300453 /nfs/dbraw/zinc/30/04/53/1000300453.db2.gz GFKCCSXTDZFEIZ-MWLCHTKSSA-N 1 3 322.331 0.702 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001418512924 1000300623 /nfs/dbraw/zinc/30/06/23/1000300623.db2.gz UKASXAJETPAKKJ-AWEZNQCLSA-N 1 3 323.441 0.700 20 0 DCADHO Cc1noc(CCCN(C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001418512924 1000300626 /nfs/dbraw/zinc/30/06/26/1000300626.db2.gz UKASXAJETPAKKJ-AWEZNQCLSA-N 1 3 323.441 0.700 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1)C1CC1 ZINC001401260756 1000316806 /nfs/dbraw/zinc/31/68/06/1000316806.db2.gz OEIYOAGFJUSKHE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001401267258 1000321528 /nfs/dbraw/zinc/32/15/28/1000321528.db2.gz QTLAUBJZVWMXON-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2nncn2C)[C@@H](C)C1 ZINC001401300804 1000338701 /nfs/dbraw/zinc/33/87/01/1000338701.db2.gz SJSPGSGLGCKMND-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2nncn2C)[C@@H](C)C1 ZINC001401300804 1000338705 /nfs/dbraw/zinc/33/87/05/1000338705.db2.gz SJSPGSGLGCKMND-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001401350642 1000367176 /nfs/dbraw/zinc/36/71/76/1000367176.db2.gz FBRKCHPFOVQNIU-UONOGXRCSA-N 1 3 314.474 0.534 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCO)[C@@H]2C1(C)C ZINC001418755898 1000496285 /nfs/dbraw/zinc/49/62/85/1000496285.db2.gz YYYFGECIHNQZLF-BMFZPTHFSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCO)[C@@H]2C1(C)C ZINC001418755898 1000496288 /nfs/dbraw/zinc/49/62/88/1000496288.db2.gz YYYFGECIHNQZLF-BMFZPTHFSA-N 1 3 311.470 0.924 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001401607573 1000543914 /nfs/dbraw/zinc/54/39/14/1000543914.db2.gz JPOVRRTWINEZTP-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001401607572 1000544474 /nfs/dbraw/zinc/54/44/74/1000544474.db2.gz JPOVRRTWINEZTP-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001401646683 1000585357 /nfs/dbraw/zinc/58/53/57/1000585357.db2.gz HYHQMFLDWJMZMP-UPJWGTAASA-N 1 3 308.430 0.200 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(C)(C)C ZINC001401651886 1000591666 /nfs/dbraw/zinc/59/16/66/1000591666.db2.gz DWDGXCLHZGLGLX-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(C)(C)C ZINC001401651886 1000591670 /nfs/dbraw/zinc/59/16/70/1000591670.db2.gz DWDGXCLHZGLGLX-OLZOCXBDSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001401680373 1000620028 /nfs/dbraw/zinc/62/00/28/1000620028.db2.gz MXYMVAZBTXDMEY-WFASDCNBSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401697567 1000635930 /nfs/dbraw/zinc/63/59/30/1000635930.db2.gz IVSPFBRMBJYZLQ-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401697567 1000635935 /nfs/dbraw/zinc/63/59/35/1000635935.db2.gz IVSPFBRMBJYZLQ-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCCN(C)C1=O ZINC001401719703 1000656565 /nfs/dbraw/zinc/65/65/65/1000656565.db2.gz UCXVHKUIQFQJOA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCCN(C)C1=O ZINC001401719703 1000656570 /nfs/dbraw/zinc/65/65/70/1000656570.db2.gz UCXVHKUIQFQJOA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)[NH+]1CCCCC1 ZINC001401858485 1000791927 /nfs/dbraw/zinc/79/19/27/1000791927.db2.gz BQIKWTMCTVBDDS-ZBFHGGJFSA-N 1 3 324.469 0.467 20 0 DCADHO CNC(=O)[C@H](C)NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001401969364 1000912267 /nfs/dbraw/zinc/91/22/67/1000912267.db2.gz RNYJSVHQADJZEN-LBPRGKRZSA-N 1 3 310.442 0.234 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC ZINC001419461075 1001069759 /nfs/dbraw/zinc/06/97/59/1001069759.db2.gz LYCBMAPOIAWJCK-AVOUXACISA-N 1 3 324.469 0.574 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC ZINC001419461075 1001069765 /nfs/dbraw/zinc/06/97/65/1001069765.db2.gz LYCBMAPOIAWJCK-AVOUXACISA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(=O)N1CCC1 ZINC001419468841 1001076499 /nfs/dbraw/zinc/07/64/99/1001076499.db2.gz KYYIDVDRPDTTNQ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001419469720 1001078402 /nfs/dbraw/zinc/07/84/02/1001078402.db2.gz QSIUKIHXXTWGCR-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1 ZINC001402186997 1001096212 /nfs/dbraw/zinc/09/62/12/1001096212.db2.gz FJWKUFJYTFKRJN-CZUORRHYSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001419730733 1001259141 /nfs/dbraw/zinc/25/91/41/1001259141.db2.gz DCICLWBZNQQEIP-ZIAGYGMSSA-N 1 3 308.430 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NCC)C1 ZINC001402436230 1001305560 /nfs/dbraw/zinc/30/55/60/1001305560.db2.gz SDBGOKXUGJQZON-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NCc2nncn2C)C1 ZINC001402438302 1001307476 /nfs/dbraw/zinc/30/74/76/1001307476.db2.gz UJPXXQQXIZVUPA-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NCc2nncn2C)C1 ZINC001402438302 1001307481 /nfs/dbraw/zinc/30/74/81/1001307481.db2.gz UJPXXQQXIZVUPA-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CN(C)C1CCC1)C(N)=O ZINC001419810854 1001326053 /nfs/dbraw/zinc/32/60/53/1001326053.db2.gz BZAYHIFBBQOGLY-HIFRSBDPSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419818257 1001331174 /nfs/dbraw/zinc/33/11/74/1001331174.db2.gz PMQUUNZDUXPKRI-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N(C)C1CC1 ZINC001419855010 1001359796 /nfs/dbraw/zinc/35/97/96/1001359796.db2.gz UKQYNIBGRNVCMV-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001402496906 1001360396 /nfs/dbraw/zinc/36/03/96/1001360396.db2.gz UTCHAMBOPBPLMO-UMVBOHGHSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+][C@H]1CCNC1=O ZINC001419928131 1001413186 /nfs/dbraw/zinc/41/31/86/1001413186.db2.gz KLQMWGIQZOECOV-DOMZBBRYSA-N 1 3 318.421 0.345 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC2(NCC(=O)N3CCC3)CCC2)CC1 ZINC001402571919 1001414886 /nfs/dbraw/zinc/41/48/86/1001414886.db2.gz HJBWVXUORSAIBI-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCc1cnn(C)c1 ZINC001419934705 1001417753 /nfs/dbraw/zinc/41/77/53/1001417753.db2.gz XNFIGPRTAHISTF-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CN(CCC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@H]1CCCN1C ZINC001402645853 1001458199 /nfs/dbraw/zinc/45/81/99/1001458199.db2.gz BLSBDZHJILZIEW-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CN(CCC[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@H]1CCCN1C ZINC001402645853 1001458200 /nfs/dbraw/zinc/45/82/00/1001458200.db2.gz BLSBDZHJILZIEW-MRXNPFEDSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001505732893 1016502995 /nfs/dbraw/zinc/50/29/95/1016502995.db2.gz NBLCOXMZEULPFC-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001402881709 1001554448 /nfs/dbraw/zinc/55/44/48/1001554448.db2.gz ADRQYUZDXKDTAY-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)N(C)C2CC2)CC[N@H+]1C ZINC001402881709 1001554454 /nfs/dbraw/zinc/55/44/54/1001554454.db2.gz ADRQYUZDXKDTAY-VHDGCEQUSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1ccnn1C ZINC001402924053 1001581474 /nfs/dbraw/zinc/58/14/74/1001581474.db2.gz GMEGTYODICPSRA-CYBMUJFWSA-N 1 3 305.426 0.643 20 0 DCADHO CCC(CC)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419972320 1001734896 /nfs/dbraw/zinc/73/48/96/1001734896.db2.gz NJLHBFOIJLCWDJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(CC)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419972320 1001734901 /nfs/dbraw/zinc/73/49/01/1001734901.db2.gz NJLHBFOIJLCWDJ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO COC[C@@H](O)CN1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001403319592 1001812662 /nfs/dbraw/zinc/81/26/62/1001812662.db2.gz ITDAQRQEHOSGNV-AEGPPILISA-N 1 3 315.458 0.016 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001420086986 1001828435 /nfs/dbraw/zinc/82/84/35/1001828435.db2.gz PRLITUWLLAAPFN-ZFWWWQNUSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1nccnc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCN1C ZINC001403363020 1001884777 /nfs/dbraw/zinc/88/47/77/1001884777.db2.gz SLSLJJUFGAWIJE-DOMZBBRYSA-N 1 3 305.426 0.864 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)C(=O)N(C)C ZINC001424678168 1001908447 /nfs/dbraw/zinc/90/84/47/1001908447.db2.gz IWPJYCRUYPMNAA-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCC1 ZINC001403400243 1001927735 /nfs/dbraw/zinc/92/77/35/1001927735.db2.gz IZLKRCJOTJUWEF-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO COc1ncc(CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)c(C)n1 ZINC001424804260 1002041444 /nfs/dbraw/zinc/04/14/44/1002041444.db2.gz KOKRNPFTJOYMSX-NWDGAFQWSA-N 1 3 323.441 0.728 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420244356 1002106012 /nfs/dbraw/zinc/10/60/12/1002106012.db2.gz VZOTXYSASOPOMZ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420244356 1002106018 /nfs/dbraw/zinc/10/60/18/1002106018.db2.gz VZOTXYSASOPOMZ-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001403554912 1002132136 /nfs/dbraw/zinc/13/21/36/1002132136.db2.gz NBHNJFWCIMLHMB-OCCSQVGLSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001420340420 1002247491 /nfs/dbraw/zinc/24/74/91/1002247491.db2.gz QOQUPRPHOKMUBV-NEPJUHHUSA-N 1 3 300.447 0.336 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001420436747 1002415885 /nfs/dbraw/zinc/41/58/85/1002415885.db2.gz YUDBDJQROZKLAI-KBPBESRZSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CC[NH+]1CCCCC1 ZINC001403781748 1002511170 /nfs/dbraw/zinc/51/11/70/1002511170.db2.gz UANHOHLGIJYMHB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@@H](C)C(=O)NC)C[C@H]21 ZINC001425371457 1002616884 /nfs/dbraw/zinc/61/68/84/1002616884.db2.gz GGIUFKHYEKTGLV-ZQDZILKHSA-N 1 3 324.469 0.147 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@@H](C)C(=O)NC)C[C@H]21 ZINC001425371457 1002616889 /nfs/dbraw/zinc/61/68/89/1002616889.db2.gz GGIUFKHYEKTGLV-ZQDZILKHSA-N 1 3 324.469 0.147 20 0 DCADHO CCn1nncc1C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001404024541 1002915506 /nfs/dbraw/zinc/91/55/06/1002915506.db2.gz RLOZOPLKYAHMCQ-UHFFFAOYSA-N 1 3 322.457 0.717 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001425687015 1002960229 /nfs/dbraw/zinc/96/02/29/1002960229.db2.gz YCQXAFJDLKRIHU-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCCCO2)CCC1 ZINC001425749895 1003054476 /nfs/dbraw/zinc/05/44/76/1003054476.db2.gz FSHRQTLOLRJZQN-UONOGXRCSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405855672 1003142571 /nfs/dbraw/zinc/14/25/71/1003142571.db2.gz ZPSDHZAUMZNBMG-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420949216 1003166631 /nfs/dbraw/zinc/16/66/31/1003166631.db2.gz LDMHDGVBDXMTSG-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001420949216 1003166641 /nfs/dbraw/zinc/16/66/41/1003166641.db2.gz LDMHDGVBDXMTSG-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO Cn1ccc(CN2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001420985187 1003202294 /nfs/dbraw/zinc/20/22/94/1003202294.db2.gz RAFBDADVLUUZCO-OAHLLOKOSA-N 1 3 320.437 0.418 20 0 DCADHO CCn1nnc(C)c1CNC1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001421000369 1003220755 /nfs/dbraw/zinc/22/07/55/1003220755.db2.gz ALWWXYUQVRIXPG-UHFFFAOYSA-N 1 3 320.441 0.441 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001405962334 1003226503 /nfs/dbraw/zinc/22/65/03/1003226503.db2.gz GAUQHJAPAMLWAF-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)CC[NH+](C)C)C2)N(C)C ZINC001405991393 1003243769 /nfs/dbraw/zinc/24/37/69/1003243769.db2.gz XYSBQAYRVOXZSB-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001425957924 1003283811 /nfs/dbraw/zinc/28/38/11/1003283811.db2.gz FTRCEYUASMKZHA-TZMCWYRMSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C[C@H]1C ZINC001421097584 1003314957 /nfs/dbraw/zinc/31/49/57/1003314957.db2.gz BVJMHTSXPABNBK-ZIAGYGMSSA-N 1 3 322.457 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C[C@@H]1C ZINC001421097577 1003315251 /nfs/dbraw/zinc/31/52/51/1003315251.db2.gz BVJMHTSXPABNBK-KBPBESRZSA-N 1 3 322.457 0.624 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001421138762 1003370689 /nfs/dbraw/zinc/37/06/89/1003370689.db2.gz RFPUSBAYQWZGJI-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](F)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001406258575 1003538367 /nfs/dbraw/zinc/53/83/67/1003538367.db2.gz RHVAUDNLYHAOGF-STQMWFEESA-N 1 3 303.422 0.676 20 0 DCADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C/C=C/Cl)C1 ZINC001421334996 1003554804 /nfs/dbraw/zinc/55/48/04/1003554804.db2.gz CCNQELROEWJQHU-YJJAWEDRSA-N 1 3 301.818 0.386 20 0 DCADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C/C=C/Cl)C1 ZINC001421334996 1003554808 /nfs/dbraw/zinc/55/48/08/1003554808.db2.gz CCNQELROEWJQHU-YJJAWEDRSA-N 1 3 301.818 0.386 20 0 DCADHO CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1CCCCN1CC ZINC001406318552 1003598903 /nfs/dbraw/zinc/59/89/03/1003598903.db2.gz HTXUUHBQKFWVDC-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCN1C ZINC001406319542 1003601008 /nfs/dbraw/zinc/60/10/08/1003601008.db2.gz QYLZWRZMLSBUGB-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001406363238 1003643345 /nfs/dbraw/zinc/64/33/45/1003643345.db2.gz KRFNWMYWZYBTMB-ZIAGYGMSSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001406371370 1003650678 /nfs/dbraw/zinc/65/06/78/1003650678.db2.gz WCQUMDGKTKLKJB-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CNC(=O)CNC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001406371370 1003650683 /nfs/dbraw/zinc/65/06/83/1003650683.db2.gz WCQUMDGKTKLKJB-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001426201307 1003651251 /nfs/dbraw/zinc/65/12/51/1003651251.db2.gz PTPSHIMYAXNBPS-NEPJUHHUSA-N 1 3 308.426 0.858 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001428004241 1003653476 /nfs/dbraw/zinc/65/34/76/1003653476.db2.gz PKYNJTOTCOTWPZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001428004241 1003653483 /nfs/dbraw/zinc/65/34/83/1003653483.db2.gz PKYNJTOTCOTWPZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001406514374 1003780009 /nfs/dbraw/zinc/78/00/09/1003780009.db2.gz HXNOGWGDHTZAPV-IHRRRGAJSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001406514374 1003780016 /nfs/dbraw/zinc/78/00/16/1003780016.db2.gz HXNOGWGDHTZAPV-IHRRRGAJSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406523688 1003787343 /nfs/dbraw/zinc/78/73/43/1003787343.db2.gz SXKMZZOXLIMZAO-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001406695500 1004010418 /nfs/dbraw/zinc/01/04/18/1004010418.db2.gz GBZNEKSCTRTVKQ-WFASDCNBSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1nc(C)n(CCN(C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001406695500 1004010432 /nfs/dbraw/zinc/01/04/32/1004010432.db2.gz GBZNEKSCTRTVKQ-WFASDCNBSA-N 1 3 322.457 0.283 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001406767971 1004076694 /nfs/dbraw/zinc/07/66/94/1004076694.db2.gz CWNXTVOIFORDKX-GJZGRUSLSA-N 1 3 322.453 0.363 20 0 DCADHO NC(=O)CNC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001406767971 1004076705 /nfs/dbraw/zinc/07/67/05/1004076705.db2.gz CWNXTVOIFORDKX-GJZGRUSLSA-N 1 3 322.453 0.363 20 0 DCADHO CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001427268547 1004294894 /nfs/dbraw/zinc/29/48/94/1004294894.db2.gz KOLULBZJQTZWCM-KFWWJZLASA-N 1 3 324.469 0.526 20 0 DCADHO CC(C)N(C)CC(=O)N1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001427327954 1004325439 /nfs/dbraw/zinc/32/54/39/1004325439.db2.gz SIESKPGIXYLLFF-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCCC1 ZINC001407117772 1004398303 /nfs/dbraw/zinc/39/83/03/1004398303.db2.gz KFVRRZBSJZBNCK-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001427736328 1004565007 /nfs/dbraw/zinc/56/50/07/1004565007.db2.gz RCWKCCVEOUOEQJ-LBPRGKRZSA-N 1 3 321.425 0.257 20 0 DCADHO CC(C)[C@H](C(=O)NCCN(C)C(=O)CC[NH+](C)C)N(C)C ZINC001429484172 1004626255 /nfs/dbraw/zinc/62/62/55/1004626255.db2.gz ZYOSBYAMDFUSPJ-CQSZACIVSA-N 1 3 300.447 0.099 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001407493318 1004687855 /nfs/dbraw/zinc/68/78/55/1004687855.db2.gz CUWLZMXMFCGPDH-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001407756167 1004839577 /nfs/dbraw/zinc/83/95/77/1004839577.db2.gz NTPZDSFKHFPOBY-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cnn(C)c2)CCC1 ZINC001407828550 1004886651 /nfs/dbraw/zinc/88/66/51/1004886651.db2.gz VIAHQJOGUHGAAN-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cnn(C)c2)CCC1 ZINC001407828550 1004886654 /nfs/dbraw/zinc/88/66/54/1004886654.db2.gz VIAHQJOGUHGAAN-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001407843119 1004894714 /nfs/dbraw/zinc/89/47/14/1004894714.db2.gz AQLMQJMHPVPJSS-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001408211369 1005109099 /nfs/dbraw/zinc/10/90/99/1005109099.db2.gz MXJQWKJLYHEEKH-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001408310071 1005152715 /nfs/dbraw/zinc/15/27/15/1005152715.db2.gz VOCNKYORPBUSJO-AWEZNQCLSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001414798892 1005404859 /nfs/dbraw/zinc/40/48/59/1005404859.db2.gz LXXBTNVPXUWLOK-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001415304805 1005498917 /nfs/dbraw/zinc/49/89/17/1005498917.db2.gz IIIVGUZFUYRCGV-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001415326004 1005503300 /nfs/dbraw/zinc/50/33/00/1005503300.db2.gz JHKDRMYBQISLCG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001415326004 1005503299 /nfs/dbraw/zinc/50/32/99/1005503299.db2.gz JHKDRMYBQISLCG-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1)N(C)C ZINC001415855233 1005624630 /nfs/dbraw/zinc/62/46/30/1005624630.db2.gz GRBHUCYYZCKDLX-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1)N(C)C ZINC001415855233 1005624633 /nfs/dbraw/zinc/62/46/33/1005624633.db2.gz GRBHUCYYZCKDLX-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001417037245 1005773946 /nfs/dbraw/zinc/77/39/46/1005773946.db2.gz ACURZBABGGQKGZ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001417037245 1005773947 /nfs/dbraw/zinc/77/39/47/1005773947.db2.gz ACURZBABGGQKGZ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001417037243 1005774102 /nfs/dbraw/zinc/77/41/02/1005774102.db2.gz ACURZBABGGQKGZ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001417037243 1005774103 /nfs/dbraw/zinc/77/41/03/1005774103.db2.gz ACURZBABGGQKGZ-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001417149278 1005793251 /nfs/dbraw/zinc/79/32/51/1005793251.db2.gz UMZUGTLIILCDBE-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001417149278 1005793253 /nfs/dbraw/zinc/79/32/53/1005793253.db2.gz UMZUGTLIILCDBE-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001417787305 1005891028 /nfs/dbraw/zinc/89/10/28/1005891028.db2.gz TVTNAOFHSNAFKJ-YRGRVCCFSA-N 1 3 310.442 0.219 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001417801771 1005893689 /nfs/dbraw/zinc/89/36/89/1005893689.db2.gz PKKSOORJUNKLKO-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001417806809 1005894446 /nfs/dbraw/zinc/89/44/46/1005894446.db2.gz RSSTYYYMSLTQIG-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CN(C(=O)CCC[NH+](C)C)C1CCN(CCn2cncn2)CC1 ZINC001417898352 1005918584 /nfs/dbraw/zinc/91/85/84/1005918584.db2.gz ZCZSYCCMMRVWOY-UHFFFAOYSA-N 1 3 322.457 0.543 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001418046268 1005975295 /nfs/dbraw/zinc/97/52/95/1005975295.db2.gz LTVMXHFGDLRIHR-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001418046268 1005975304 /nfs/dbraw/zinc/97/53/04/1005975304.db2.gz LTVMXHFGDLRIHR-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1)C(N)=O ZINC001418045656 1005975910 /nfs/dbraw/zinc/97/59/10/1005975910.db2.gz WDSWHQRWBANHSM-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1)C(N)=O ZINC001418045656 1005975916 /nfs/dbraw/zinc/97/59/16/1005975916.db2.gz WDSWHQRWBANHSM-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001418078646 1006011601 /nfs/dbraw/zinc/01/16/01/1006011601.db2.gz XOGOZTJGQHPTHW-MGPQQGTHSA-N 1 3 320.441 0.342 20 0 DCADHO CC(C)C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001438731513 1006078342 /nfs/dbraw/zinc/07/83/42/1006078342.db2.gz FUIQMZHECRKKAF-GJZGRUSLSA-N 1 3 324.469 0.337 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001418130739 1006085236 /nfs/dbraw/zinc/08/52/36/1006085236.db2.gz AFMVQGAMYPOGAT-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001438776501 1006108876 /nfs/dbraw/zinc/10/88/76/1006108876.db2.gz RSYCKOUACPGBGA-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)N(C)C)C1 ZINC001438950055 1006257569 /nfs/dbraw/zinc/25/75/69/1006257569.db2.gz LWPNXHXYQXHUGW-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)N(C)C)C1 ZINC001438950055 1006257581 /nfs/dbraw/zinc/25/75/81/1006257581.db2.gz LWPNXHXYQXHUGW-CABCVRRESA-N 1 3 324.469 0.338 20 0 DCADHO Cn1nccc1CCN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001436688686 1006259687 /nfs/dbraw/zinc/25/96/87/1006259687.db2.gz JIHAOLAYLWMMJO-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)NC1CC1 ZINC001418268854 1006275074 /nfs/dbraw/zinc/27/50/74/1006275074.db2.gz OWMRBJOZVKBGQA-VXGBXAGGSA-N 1 3 310.442 0.090 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1)CC(C)(C)C ZINC001439018606 1006368027 /nfs/dbraw/zinc/36/80/27/1006368027.db2.gz GYYVFJYGFRIPLN-KGLIPLIRSA-N 1 3 315.458 0.068 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001439024008 1006378219 /nfs/dbraw/zinc/37/82/19/1006378219.db2.gz RJJXOVYLDSRWRD-CABCVRRESA-N 1 3 311.401 0.733 20 0 DCADHO C[C@H]([NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1)C(N)=O ZINC001436805201 1006378917 /nfs/dbraw/zinc/37/89/17/1006378917.db2.gz GSGKHPLUVRVAPO-WCQYABFASA-N 1 3 312.458 0.323 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2ccccc2F)C1 ZINC001439045895 1006403633 /nfs/dbraw/zinc/40/36/33/1006403633.db2.gz IIBJZPCEZTUXQD-DZGCQCFKSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2ccccc2F)C1 ZINC001439045895 1006403638 /nfs/dbraw/zinc/40/36/38/1006403638.db2.gz IIBJZPCEZTUXQD-DZGCQCFKSA-N 1 3 323.412 0.734 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001418354450 1006419048 /nfs/dbraw/zinc/41/90/48/1006419048.db2.gz YFLGODNRJIUBNN-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001436893202 1006440586 /nfs/dbraw/zinc/44/05/86/1006440586.db2.gz FIEAZVQDNYPHAR-JOCQHMNTSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001439150893 1006518289 /nfs/dbraw/zinc/51/82/89/1006518289.db2.gz AYRXRSPGLXULFB-NEPJUHHUSA-N 1 3 300.447 0.193 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)CC[NH+](C)C)C1 ZINC001452196507 1006652416 /nfs/dbraw/zinc/65/24/16/1006652416.db2.gz WIPHDZODNNEBBI-CQSZACIVSA-N 1 3 312.458 0.197 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001437425277 1006941521 /nfs/dbraw/zinc/94/15/21/1006941521.db2.gz FDKYMNXDUSNWDM-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001437807247 1007422960 /nfs/dbraw/zinc/42/29/60/1007422960.db2.gz NQEHSKCRVZTGON-HZPDHXFCSA-N 1 3 309.454 0.966 20 0 DCADHO O=C(NCCN(CCCO)C1CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001437807247 1007422955 /nfs/dbraw/zinc/42/29/55/1007422955.db2.gz NQEHSKCRVZTGON-HZPDHXFCSA-N 1 3 309.454 0.966 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001440109913 1007495223 /nfs/dbraw/zinc/49/52/23/1007495223.db2.gz AVSCNHXSFOIEOX-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001437953151 1007534157 /nfs/dbraw/zinc/53/41/57/1007534157.db2.gz QFFCCTZDZZDCBR-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001437953151 1007534163 /nfs/dbraw/zinc/53/41/63/1007534163.db2.gz QFFCCTZDZZDCBR-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(=O)NC)C1 ZINC001438003646 1007579847 /nfs/dbraw/zinc/57/98/47/1007579847.db2.gz WAKQPUIUMHOGDE-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(=O)NC)C1 ZINC001438003646 1007579852 /nfs/dbraw/zinc/57/98/52/1007579852.db2.gz WAKQPUIUMHOGDE-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](F)CNC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001440367025 1007701181 /nfs/dbraw/zinc/70/11/81/1007701181.db2.gz BWRFEKQCEYQYSV-LSDHHAIUSA-N 1 3 315.433 0.893 20 0 DCADHO CC(C)N(C)CC(=O)NC1(C[NH2+]Cc2cnnn2C)CCCC1 ZINC001438399252 1007884135 /nfs/dbraw/zinc/88/41/35/1007884135.db2.gz VWQDMOXQQDGTQI-UHFFFAOYSA-N 1 3 322.457 0.674 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001440590810 1007905259 /nfs/dbraw/zinc/90/52/59/1007905259.db2.gz DJVMRHUQIYIEGR-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001440590820 1007906942 /nfs/dbraw/zinc/90/69/42/1007906942.db2.gz DJVMRHUQIYIEGR-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001438442693 1007909284 /nfs/dbraw/zinc/90/92/84/1007909284.db2.gz YWOWVESOUCHJJE-HDJSIYSDSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC(=O)NC2CC2)C1 ZINC001440763402 1008005471 /nfs/dbraw/zinc/00/54/71/1008005471.db2.gz POYHJFYUGCJBOM-UHFFFAOYSA-N 1 3 310.442 0.090 20 0 DCADHO C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001441001943 1008168880 /nfs/dbraw/zinc/16/88/80/1008168880.db2.gz YCNDLJSYDAHMQC-LSDHHAIUSA-N 1 3 324.469 0.707 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001441408056 1008347880 /nfs/dbraw/zinc/34/78/80/1008347880.db2.gz RWBRSYBTGYWZIS-HAQNSBGRSA-N 1 3 323.466 0.925 20 0 DCADHO CC[C@@H](N[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001441541903 1008397468 /nfs/dbraw/zinc/39/74/68/1008397468.db2.gz RPCQVIGFITZIRZ-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@@H](N[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001441637297 1008432698 /nfs/dbraw/zinc/43/26/98/1008432698.db2.gz AUBWSQHCWKQZCE-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001453542838 1008568835 /nfs/dbraw/zinc/56/88/35/1008568835.db2.gz YMGHKGBPJQCDQT-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](O)CCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001421570384 1008741611 /nfs/dbraw/zinc/74/16/11/1008741611.db2.gz IOHKLORUPSAGGY-TWMKSMIVSA-N 1 3 323.481 0.879 20 0 DCADHO C[C@H](O)CCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001421570384 1008741617 /nfs/dbraw/zinc/74/16/17/1008741617.db2.gz IOHKLORUPSAGGY-TWMKSMIVSA-N 1 3 323.481 0.879 20 0 DCADHO CO[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442057021 1008897331 /nfs/dbraw/zinc/89/73/31/1008897331.db2.gz WHRITENMHXUUAL-KGLIPLIRSA-N 1 3 315.458 0.257 20 0 DCADHO CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442057021 1008897348 /nfs/dbraw/zinc/89/73/48/1008897348.db2.gz WHRITENMHXUUAL-KGLIPLIRSA-N 1 3 315.458 0.257 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001421735190 1009004983 /nfs/dbraw/zinc/00/49/83/1009004983.db2.gz GIRJPWXBLUJUOO-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001442144512 1009016331 /nfs/dbraw/zinc/01/63/31/1009016331.db2.gz DCVMQKZJXJVXKX-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CNCc2ccn(C)n2)C1 ZINC001442144512 1009016344 /nfs/dbraw/zinc/01/63/44/1009016344.db2.gz DCVMQKZJXJVXKX-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CN1CCN(C)[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC001433694644 1009082837 /nfs/dbraw/zinc/08/28/37/1009082837.db2.gz NNOLBWXQUPVVNG-CQSZACIVSA-N 1 3 320.437 0.851 20 0 DCADHO CC(C)N(C)C(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001421785560 1009086469 /nfs/dbraw/zinc/08/64/69/1009086469.db2.gz LWVMDABBBUYWEV-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)C(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001421785560 1009086484 /nfs/dbraw/zinc/08/64/84/1009086484.db2.gz LWVMDABBBUYWEV-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1cncc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)c1 ZINC001421803854 1009114335 /nfs/dbraw/zinc/11/43/35/1009114335.db2.gz ODLJKGQWMWBJDC-MRXNPFEDSA-N 1 3 320.437 0.659 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421864312 1009179018 /nfs/dbraw/zinc/17/90/18/1009179018.db2.gz UJBSQMGGALECIU-AWEZNQCLSA-N 1 3 324.469 0.659 20 0 DCADHO Cc1oncc1CNCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001422002614 1009387660 /nfs/dbraw/zinc/38/76/60/1009387660.db2.gz VGBZGLYPZUMQHW-UHFFFAOYSA-N 1 3 324.425 0.690 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001422018985 1009407590 /nfs/dbraw/zinc/40/75/90/1009407590.db2.gz MAIYNVAQALCKKG-RBSFLKMASA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCNC1=O ZINC001422093144 1009480625 /nfs/dbraw/zinc/48/06/25/1009480625.db2.gz GURGYDZKJOFDJB-ZIAGYGMSSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC001442618978 1009524513 /nfs/dbraw/zinc/52/45/13/1009524513.db2.gz JRNMZFVMNVONTG-NSHDSACASA-N 1 3 313.364 0.688 20 0 DCADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC001442618978 1009524528 /nfs/dbraw/zinc/52/45/28/1009524528.db2.gz JRNMZFVMNVONTG-NSHDSACASA-N 1 3 313.364 0.688 20 0 DCADHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cncn1C)C(C)C)N(C)C ZINC001422134808 1009532060 /nfs/dbraw/zinc/53/20/60/1009532060.db2.gz PMELMWRNFBONNG-LSDHHAIUSA-N 1 3 309.458 0.991 20 0 DCADHO CN(CC[N@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@H]1CCCN1C ZINC001422184553 1009622405 /nfs/dbraw/zinc/62/24/05/1009622405.db2.gz ZZGXYKWSYCJYNE-OAHLLOKOSA-N 1 3 320.437 0.370 20 0 DCADHO CN(CC[N@@H+](C)Cc1ccn(C)c(=O)c1)C(=O)[C@H]1CCCN1C ZINC001422184553 1009622417 /nfs/dbraw/zinc/62/24/17/1009622417.db2.gz ZZGXYKWSYCJYNE-OAHLLOKOSA-N 1 3 320.437 0.370 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCn2ncnc21 ZINC001434170438 1009632674 /nfs/dbraw/zinc/63/26/74/1009632674.db2.gz JUJNEBJKXMTWTJ-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCn2ncnc21 ZINC001434170438 1009632684 /nfs/dbraw/zinc/63/26/84/1009632684.db2.gz JUJNEBJKXMTWTJ-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CCN(CCNC(=O)CC[NH+](C)C)C[C@H]1CCc2ncnn21 ZINC001442733700 1009678031 /nfs/dbraw/zinc/67/80/31/1009678031.db2.gz WSZIZOJVQGZJOY-CYBMUJFWSA-N 1 3 308.430 0.155 20 0 DCADHO CC(C)NC(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001422242261 1009699903 /nfs/dbraw/zinc/69/99/03/1009699903.db2.gz DQZVVAFUYYZGCD-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(C)C ZINC001422273693 1009750243 /nfs/dbraw/zinc/75/02/43/1009750243.db2.gz OQYQWVBPILXRGY-KBPBESRZSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001442856842 1009832979 /nfs/dbraw/zinc/83/29/79/1009832979.db2.gz YRIFOSMBXXUGLL-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCN(C2CN(C(=O)C3([NH+](C)C)CCCC3)C2)CC1 ZINC001434385627 1009874092 /nfs/dbraw/zinc/87/40/92/1009874092.db2.gz BSSNMSMUXMJWTO-UHFFFAOYSA-N 1 3 308.470 0.709 20 0 DCADHO C[N@@H+]1CCC[C@H](N2CCN(C[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001434461627 1009979210 /nfs/dbraw/zinc/97/92/10/1009979210.db2.gz XYUMZPKXJZLATK-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO C[N@H+]1CCC[C@H](N2CCN(C[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC001434461627 1009979214 /nfs/dbraw/zinc/97/92/14/1009979214.db2.gz XYUMZPKXJZLATK-HOTGVXAUSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC001434501183 1010042279 /nfs/dbraw/zinc/04/22/79/1010042279.db2.gz IWWIAEIZYUJGJS-AWEZNQCLSA-N 1 3 321.469 0.832 20 0 DCADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001422464080 1010122166 /nfs/dbraw/zinc/12/21/66/1010122166.db2.gz YUBNJARKZMBGGA-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NC)C1 ZINC001443241188 1010255968 /nfs/dbraw/zinc/25/59/68/1010255968.db2.gz BUOJXQVNCFUDOE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NC)C1 ZINC001443241188 1010255971 /nfs/dbraw/zinc/25/59/71/1010255971.db2.gz BUOJXQVNCFUDOE-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001422879205 1010697204 /nfs/dbraw/zinc/69/72/04/1010697204.db2.gz POMDECHVQUZDEC-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)C[C@@H]1CCc2ncnn21 ZINC001422904565 1010724403 /nfs/dbraw/zinc/72/44/03/1010724403.db2.gz YQULQKNJOKHHGH-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)C[C@@H]1CCc2ncnn21 ZINC001422904565 1010724408 /nfs/dbraw/zinc/72/44/08/1010724408.db2.gz YQULQKNJOKHHGH-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC001422934314 1010754605 /nfs/dbraw/zinc/75/46/05/1010754605.db2.gz RNNRAVTXRFDIDQ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC001422934314 1010754612 /nfs/dbraw/zinc/75/46/12/1010754612.db2.gz RNNRAVTXRFDIDQ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001422997136 1010795634 /nfs/dbraw/zinc/79/56/34/1010795634.db2.gz BXLYOUOJQXOEPS-CYBMUJFWSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCCNC1=O ZINC001423099163 1010887448 /nfs/dbraw/zinc/88/74/48/1010887448.db2.gz PZLVDWDTNKFVRC-UONOGXRCSA-N 1 3 322.453 0.330 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001444248127 1010922770 /nfs/dbraw/zinc/92/27/70/1010922770.db2.gz CSMGPYYFRFMIBK-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001444248127 1010922771 /nfs/dbraw/zinc/92/27/71/1010922771.db2.gz CSMGPYYFRFMIBK-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO Cc1nc([C@@H](C)N[C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001423145975 1010924564 /nfs/dbraw/zinc/92/45/64/1010924564.db2.gz ITSLGFMRSMSYLS-VXGBXAGGSA-N 1 3 320.441 0.706 20 0 DCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)N1CCCC1 ZINC001444387226 1010993458 /nfs/dbraw/zinc/99/34/58/1010993458.db2.gz ZFABDEUVTLRXCE-GJZGRUSLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC001444395508 1010997701 /nfs/dbraw/zinc/99/77/01/1010997701.db2.gz QEBGNAXBFXYIBL-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001423331271 1011081795 /nfs/dbraw/zinc/08/17/95/1011081795.db2.gz STNALVWEIFXYAY-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H](O)COC)C(C)(C)C1 ZINC001423400212 1011123779 /nfs/dbraw/zinc/12/37/79/1011123779.db2.gz HTMQXMQDMZMBGZ-UONOGXRCSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444737889 1011153720 /nfs/dbraw/zinc/15/37/20/1011153720.db2.gz YAAQEJOICPSZEN-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNCC(=O)NCC1CCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444737889 1011153724 /nfs/dbraw/zinc/15/37/24/1011153724.db2.gz YAAQEJOICPSZEN-ZFWWWQNUSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001423457521 1011161969 /nfs/dbraw/zinc/16/19/69/1011161969.db2.gz XAHGURTZYZLCIN-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)N(C)C)CC[N@H+]1C ZINC001423457521 1011161971 /nfs/dbraw/zinc/16/19/71/1011161971.db2.gz XAHGURTZYZLCIN-SOUVJXGZSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001423602780 1011335606 /nfs/dbraw/zinc/33/56/06/1011335606.db2.gz VSUAYHUSVHFQKO-GFCCVEGCSA-N 1 3 310.442 0.221 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC(NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001445026362 1011336464 /nfs/dbraw/zinc/33/64/64/1011336464.db2.gz FEQQDGOLGYGAIN-UHFFFAOYSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423645109 1011385484 /nfs/dbraw/zinc/38/54/84/1011385484.db2.gz VYHFMVWRBCANLG-CXAGYDPISA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnnn1C ZINC001445101522 1011406298 /nfs/dbraw/zinc/40/62/98/1011406298.db2.gz BUWHGORIZULDEZ-ZFWWWQNUSA-N 1 3 322.457 0.531 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCc1ccc(Cl)s1 ZINC001445226928 1011543793 /nfs/dbraw/zinc/54/37/93/1011543793.db2.gz SEGKQHIHHNOMDK-JTQLQIEISA-N 1 3 319.858 0.920 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCc2ccns2)CC1 ZINC001445225832 1011545040 /nfs/dbraw/zinc/54/50/40/1011545040.db2.gz ONXNBPNROWVOFF-LBPRGKRZSA-N 1 3 312.439 0.052 20 0 DCADHO CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)CN(C)C(C)C ZINC001445327130 1011661431 /nfs/dbraw/zinc/66/14/31/1011661431.db2.gz GSMYZKYFEKJPHV-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001534872262 1011709677 /nfs/dbraw/zinc/70/96/77/1011709677.db2.gz CPVYILQQYCSAOM-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001534872262 1011709684 /nfs/dbraw/zinc/70/96/84/1011709684.db2.gz CPVYILQQYCSAOM-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423930672 1011746266 /nfs/dbraw/zinc/74/62/66/1011746266.db2.gz UTJKWABHGZZTLT-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O)N(C)C ZINC001445428591 1011758208 /nfs/dbraw/zinc/75/82/08/1011758208.db2.gz YDPYLULLLJBQQJ-MGPQQGTHSA-N 1 3 312.458 0.288 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445472244 1011800228 /nfs/dbraw/zinc/80/02/28/1011800228.db2.gz GUBZLBVPTBNJDZ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445472244 1011800244 /nfs/dbraw/zinc/80/02/44/1011800244.db2.gz GUBZLBVPTBNJDZ-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CC(=O)NCC1(NC(=O)CC[NH+](C)C)CC1)C1CCC1 ZINC001535549749 1011925545 /nfs/dbraw/zinc/92/55/45/1011925545.db2.gz VLCIIGRAUVPWQV-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001445606590 1011993579 /nfs/dbraw/zinc/99/35/79/1011993579.db2.gz QUKARRZHWFFTFK-KBPBESRZSA-N 1 3 324.469 0.339 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553498729 1012032193 /nfs/dbraw/zinc/03/21/93/1012032193.db2.gz YTIHNBDEUUORFI-KKUMJFAQSA-N 1 3 310.442 0.227 20 0 DCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553505257 1012043086 /nfs/dbraw/zinc/04/30/86/1012043086.db2.gz SVLPAJDCLJTKEJ-LXTVHRRPSA-N 1 3 310.442 0.354 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553531479 1012082909 /nfs/dbraw/zinc/08/29/09/1012082909.db2.gz PXBCQDSNXLUEDW-KBUPBQIOSA-N 1 3 310.442 0.083 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCc2ccnn2C)C1 ZINC001424234567 1012214518 /nfs/dbraw/zinc/21/45/18/1012214518.db2.gz DRSKADOCQBXSFK-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCc2ccnn2C)C1 ZINC001424234567 1012214536 /nfs/dbraw/zinc/21/45/36/1012214536.db2.gz DRSKADOCQBXSFK-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001424242689 1012227272 /nfs/dbraw/zinc/22/72/72/1012227272.db2.gz VBBUGRSQYNKZJO-OAHLLOKOSA-N 1 3 323.441 0.079 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001424472082 1012541823 /nfs/dbraw/zinc/54/18/23/1012541823.db2.gz OYYVUFIHDUUAMT-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001424489367 1012570848 /nfs/dbraw/zinc/57/08/48/1012570848.db2.gz VIYOMRXHURUAMZ-DOMZBBRYSA-N 1 3 307.442 0.617 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001424542357 1012630383 /nfs/dbraw/zinc/63/03/83/1012630383.db2.gz MNJYFROWQBBIBP-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001424542357 1012630397 /nfs/dbraw/zinc/63/03/97/1012630397.db2.gz MNJYFROWQBBIBP-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CO[C@@H](CN)C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001548588422 1012768401 /nfs/dbraw/zinc/76/84/01/1012768401.db2.gz FMVQQPAAVMRWMC-HIFRSBDPSA-N 1 3 319.405 0.804 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001446496875 1012823086 /nfs/dbraw/zinc/82/30/86/1012823086.db2.gz RKLXGTZIBFKVNU-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CCCC[NH2+]C)CC1 ZINC001521477652 1017386172 /nfs/dbraw/zinc/38/61/72/1017386172.db2.gz SZAHREIYZSXILC-UHFFFAOYSA-N 1 3 312.458 0.389 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001479346725 1017507875 /nfs/dbraw/zinc/50/78/75/1017507875.db2.gz HPLKWVPCZFAVSN-ZNMIVQPWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001479407392 1017544448 /nfs/dbraw/zinc/54/44/48/1017544448.db2.gz AUBOUKQRRDUORX-DZKIICNBSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H](NCCF)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001506841436 1017603487 /nfs/dbraw/zinc/60/34/87/1017603487.db2.gz BDHXANDCTCMZMN-OLZOCXBDSA-N 1 3 301.406 0.503 20 0 DCADHO C[NH+](C)CCC(=O)N1CCCCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001479691785 1017654319 /nfs/dbraw/zinc/65/43/19/1017654319.db2.gz FHLGVFFYRZOZSJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NCCCN(C)[C@H]2CCCN(C)C2=O)C1 ZINC001479796503 1017779347 /nfs/dbraw/zinc/77/93/47/1017779347.db2.gz IJIYCHVDGAFGPJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)[C@H]2CCCN(C)C2=O)C1 ZINC001479796503 1017779360 /nfs/dbraw/zinc/77/93/60/1017779360.db2.gz IJIYCHVDGAFGPJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479832462 1017841451 /nfs/dbraw/zinc/84/14/51/1017841451.db2.gz XDXCVCSDJQDMFA-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC[C@H](N(CCCNC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001479874808 1017922356 /nfs/dbraw/zinc/92/23/56/1017922356.db2.gz DDEZLXXGFIBOGF-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CCNCc1nccn1C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497187600 1017952254 /nfs/dbraw/zinc/95/22/54/1017952254.db2.gz DELXYWUQVSSUNC-UKRRQHHQSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497496046 1018169596 /nfs/dbraw/zinc/16/95/96/1018169596.db2.gz PXDXNBHJZRSXMT-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C)NC(=O)CNCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497496046 1018169602 /nfs/dbraw/zinc/16/96/02/1018169602.db2.gz PXDXNBHJZRSXMT-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNCc1cn(C)nc1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495653 1018170227 /nfs/dbraw/zinc/17/02/27/1018170227.db2.gz LBUXXBJBVSHNNS-CQSZACIVSA-N 1 3 307.442 0.618 20 0 DCADHO CCN(CCNCc1cn(C)nc1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495653 1018170232 /nfs/dbraw/zinc/17/02/32/1018170232.db2.gz LBUXXBJBVSHNNS-CQSZACIVSA-N 1 3 307.442 0.618 20 0 DCADHO C[C@H]1CCN(CC(=O)N(CCNC(=O)CC[NH+](C)C)C2CC2)C1 ZINC001497546345 1018208139 /nfs/dbraw/zinc/20/81/39/1018208139.db2.gz HHWASRZSLSPTAU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCC1)C(N)=O ZINC001500106401 1018224791 /nfs/dbraw/zinc/22/47/91/1018224791.db2.gz DSEIKBZXWJYGBP-IUODEOHRSA-N 1 3 324.469 0.467 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001495030424 1018250054 /nfs/dbraw/zinc/25/00/54/1018250054.db2.gz AULHVBIYGUZZPK-GFCCVEGCSA-N 1 3 300.447 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)C1 ZINC001480173281 1018282191 /nfs/dbraw/zinc/28/21/91/1018282191.db2.gz DERSDIIVONECKB-JKQORVJESA-N 1 3 309.454 0.990 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)C1CCC1 ZINC001480207835 1018314274 /nfs/dbraw/zinc/31/42/74/1018314274.db2.gz IGCMZSJSPHZOTA-BETUJISGSA-N 1 3 322.453 0.328 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cnnn2C)C1 ZINC001500397506 1018441142 /nfs/dbraw/zinc/44/11/42/1018441142.db2.gz XSOZVUPHELTIGV-MRXNPFEDSA-N 1 3 322.457 0.485 20 0 DCADHO CC[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C(C)C)C1)C(N)=O ZINC001500404876 1018442833 /nfs/dbraw/zinc/44/28/33/1018442833.db2.gz LKHVXNDVCCBNPX-XJKSGUPXSA-N 1 3 312.458 0.419 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497962734 1018543933 /nfs/dbraw/zinc/54/39/33/1018543933.db2.gz LNPAKWCLPLSFKA-OCCSQVGLSA-N 1 3 322.457 0.543 20 0 DCADHO CCn1nnc(C)c1CNC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497962734 1018543947 /nfs/dbraw/zinc/54/39/47/1018543947.db2.gz LNPAKWCLPLSFKA-OCCSQVGLSA-N 1 3 322.457 0.543 20 0 DCADHO CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480461690 1018554642 /nfs/dbraw/zinc/55/46/42/1018554642.db2.gz AZJWZFGGORVGHW-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccnn1C ZINC001480463581 1018560291 /nfs/dbraw/zinc/56/02/91/1018560291.db2.gz WVEGMNYWNKGRJE-IUODEOHRSA-N 1 3 305.426 0.356 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001500677720 1018568234 /nfs/dbraw/zinc/56/82/34/1018568234.db2.gz PNBVFQQEWAHZIG-NVXWUHKLSA-N 1 3 309.454 0.822 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001500677720 1018568241 /nfs/dbraw/zinc/56/82/41/1018568241.db2.gz PNBVFQQEWAHZIG-NVXWUHKLSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H](F)CN[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001480564600 1018661901 /nfs/dbraw/zinc/66/19/01/1018661901.db2.gz ZFNNNEXSWLKDAU-QWHCGFSZSA-N 1 3 303.422 0.940 20 0 DCADHO CC[C@H](F)CN[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001480564599 1018662130 /nfs/dbraw/zinc/66/21/30/1018662130.db2.gz ZFNNNEXSWLKDAU-OLZOCXBDSA-N 1 3 303.422 0.940 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+][C@@H]1CCNC1=O ZINC001495720779 1018669484 /nfs/dbraw/zinc/66/94/84/1018669484.db2.gz VUEPVXWBZFAGFZ-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001495795126 1018700439 /nfs/dbraw/zinc/70/04/39/1018700439.db2.gz GHLCWXPOTJHKMW-LBPRGKRZSA-N 1 3 318.425 0.579 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001501150165 1018923301 /nfs/dbraw/zinc/92/33/01/1018923301.db2.gz MSUJJVHIUMTBKN-KBPBESRZSA-N 1 3 322.457 0.341 20 0 DCADHO C[C@H](C[NH2+]CCc1cnn(C)c1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001496155442 1019119109 /nfs/dbraw/zinc/11/91/09/1019119109.db2.gz UNHNDNMHQQZWGZ-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)N(C)C ZINC001496195384 1019155228 /nfs/dbraw/zinc/15/52/28/1019155228.db2.gz MQXLABRCLNBYKE-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)N(C)C ZINC001496195384 1019155234 /nfs/dbraw/zinc/15/52/34/1019155234.db2.gz MQXLABRCLNBYKE-CHWSQXEVSA-N 1 3 300.447 0.241 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@@H](C)O ZINC001501496555 1019243804 /nfs/dbraw/zinc/24/38/04/1019243804.db2.gz FGCDOOSPQKPOMJ-HUUCEWRRSA-N 1 3 315.458 0.041 20 0 DCADHO C[NH+](C)CCC(=O)N1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001498640117 1019292360 /nfs/dbraw/zinc/29/23/60/1019292360.db2.gz NWQKIGIFLGZLBS-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001501618229 1019333377 /nfs/dbraw/zinc/33/33/77/1019333377.db2.gz JJORBGAKQRVFTN-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2ccnn2C)C2CC2)CC[N@@H+]1C ZINC001498758047 1019402142 /nfs/dbraw/zinc/40/21/42/1019402142.db2.gz FMVBQMPWKIDOGZ-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCc2ccnn2C)C2CC2)CC[N@H+]1C ZINC001498758047 1019402147 /nfs/dbraw/zinc/40/21/47/1019402147.db2.gz FMVBQMPWKIDOGZ-WQVCFCJDSA-N 1 3 319.453 0.745 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498786676 1019425629 /nfs/dbraw/zinc/42/56/29/1019425629.db2.gz RVIBFAKOFADLAR-JSGCOSHPSA-N 1 3 322.453 0.234 20 0 DCADHO CCn1nncc1CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001496644121 1019481797 /nfs/dbraw/zinc/48/17/97/1019481797.db2.gz QIXYFMKJKOZKOX-ZFWWWQNUSA-N 1 3 322.457 0.480 20 0 DCADHO CCn1nncc1CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001496644121 1019481806 /nfs/dbraw/zinc/48/18/06/1019481806.db2.gz QIXYFMKJKOZKOX-ZFWWWQNUSA-N 1 3 322.457 0.480 20 0 DCADHO COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001502094934 1019709154 /nfs/dbraw/zinc/70/91/54/1019709154.db2.gz QFPXCEPIXSLGMQ-KBPBESRZSA-N 1 3 301.431 0.179 20 0 DCADHO COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001502094937 1019710523 /nfs/dbraw/zinc/71/05/23/1019710523.db2.gz QFPXCEPIXSLGMQ-ZIAGYGMSSA-N 1 3 301.431 0.179 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnnn1C ZINC001496922584 1019762419 /nfs/dbraw/zinc/76/24/19/1019762419.db2.gz IYZOQGTZOZANOO-ZFWWWQNUSA-N 1 3 322.457 0.530 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)CCn2cncn2)CCC1 ZINC001502342170 1019818623 /nfs/dbraw/zinc/81/86/23/1019818623.db2.gz PSISHLPCYRBPCL-UHFFFAOYSA-N 1 3 322.457 0.543 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)CCn2cncn2)CCC1 ZINC001502342170 1019818640 /nfs/dbraw/zinc/81/86/40/1019818640.db2.gz PSISHLPCYRBPCL-UHFFFAOYSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494045342 1019946219 /nfs/dbraw/zinc/94/62/19/1019946219.db2.gz ZOYZJQAAHBKDQU-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001494162308 1020032296 /nfs/dbraw/zinc/03/22/96/1020032296.db2.gz IFZNYSOAMUQWRS-DZGCQCFKSA-N 1 3 324.469 0.372 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001494171259 1020040315 /nfs/dbraw/zinc/04/03/15/1020040315.db2.gz HYMNWSVGEYYUEG-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC)C1 ZINC001494171259 1020040327 /nfs/dbraw/zinc/04/03/27/1020040327.db2.gz HYMNWSVGEYYUEG-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410441384 282081272 /nfs/dbraw/zinc/08/12/72/282081272.db2.gz YIEXMZLKODMOBW-UHFFFAOYSA-N 1 3 324.469 0.341 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342767001 291049900 /nfs/dbraw/zinc/04/99/00/291049900.db2.gz ZNXUATOBXDCKPQ-CRWXNKLISA-N 1 3 313.442 0.750 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342767001 291049905 /nfs/dbraw/zinc/04/99/05/291049905.db2.gz ZNXUATOBXDCKPQ-CRWXNKLISA-N 1 3 313.442 0.750 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178758878 237237602 /nfs/dbraw/zinc/23/76/02/237237602.db2.gz OUAPFOMNDJZCNY-CVEARBPZSA-N 1 3 305.422 0.956 20 0 DCADHO CC(C)COC[C@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000566120804 291272316 /nfs/dbraw/zinc/27/23/16/291272316.db2.gz PTIDSOWENUXINN-MRXNPFEDSA-N 1 3 301.475 0.636 20 0 DCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000566209621 291282780 /nfs/dbraw/zinc/28/27/80/291282780.db2.gz YSGYJNSNIQFPBY-HUUCEWRRSA-N 1 3 309.454 0.977 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)NC)CC2)CC1 ZINC000566439040 291301468 /nfs/dbraw/zinc/30/14/68/291301468.db2.gz BKQWWILPLKRTSI-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000566511705 291310579 /nfs/dbraw/zinc/31/05/79/291310579.db2.gz AMJZOZKVICAHIV-ZNMIVQPWSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000420125725 240019263 /nfs/dbraw/zinc/01/92/63/240019263.db2.gz QTDPXCGKMDUGIZ-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO Cc1cc(N2CC[C@@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)n(C)n1 ZINC000420326491 240021655 /nfs/dbraw/zinc/02/16/55/240021655.db2.gz CICFWZQTOCRYIJ-QLFBSQMISA-N 1 3 317.437 0.765 20 0 DCADHO Cn1cc(N2CC[C@H](N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)C2=O)cn1 ZINC000420328757 240023702 /nfs/dbraw/zinc/02/37/02/240023702.db2.gz MYPTXJGQNXCKJT-DZKIICNBSA-N 1 3 317.437 0.847 20 0 DCADHO [NH3+][C@H](C(=O)Nc1ccc2c(c1)CNCCO2)C1CCOCC1 ZINC000566972465 291331333 /nfs/dbraw/zinc/33/13/33/291331333.db2.gz AQAHIMFMMSDOJI-HNNXBMFYSA-N 1 3 305.378 0.861 20 0 DCADHO C[C@@H]1CN(CCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CCCO1 ZINC000423080712 240192135 /nfs/dbraw/zinc/19/21/35/240192135.db2.gz ZYQAOHQGBYOIGM-HYVNUMGLSA-N 1 3 311.470 0.844 20 0 DCADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000423597125 240224043 /nfs/dbraw/zinc/22/40/43/240224043.db2.gz SVMNXKAVHBGPEV-RBSFLKMASA-N 1 3 324.469 0.371 20 0 DCADHO C[C@@H](C[C@H]1COCCN1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000567638772 291366341 /nfs/dbraw/zinc/36/63/41/291366341.db2.gz BTFBOWMOVSFNHT-KBPBESRZSA-N 1 3 305.426 0.670 20 0 DCADHO COC1(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[NH2+]CC1 ZINC000569364872 291476231 /nfs/dbraw/zinc/47/62/31/291476231.db2.gz CAXMGRQJIGEFTG-DZGCQCFKSA-N 1 3 321.396 0.847 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCCC[NH2+]3)C2)nn1 ZINC000569607047 291487666 /nfs/dbraw/zinc/48/76/66/291487666.db2.gz RFSJSUPPHMVTBV-KGLIPLIRSA-N 1 3 306.414 0.433 20 0 DCADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H]3OCCN[C@@H]3C2)cc1 ZINC000574332102 291688581 /nfs/dbraw/zinc/68/85/81/291688581.db2.gz ORWCYFYCCAIXSK-OIISXLGYSA-N 1 3 305.422 0.800 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000105193155 194083649 /nfs/dbraw/zinc/08/36/49/194083649.db2.gz KDQDCLUUGKVXDU-ZDUSSCGKSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105193155 194083651 /nfs/dbraw/zinc/08/36/51/194083651.db2.gz KDQDCLUUGKVXDU-ZDUSSCGKSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000105245288 194087631 /nfs/dbraw/zinc/08/76/31/194087631.db2.gz DSTHFNTTYVYQIR-UHFFFAOYSA-N 1 3 314.474 0.938 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000339670545 253124746 /nfs/dbraw/zinc/12/47/46/253124746.db2.gz GSOBLGUKSVCDDY-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000339670545 253124749 /nfs/dbraw/zinc/12/47/49/253124749.db2.gz GSOBLGUKSVCDDY-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000339634329 253118830 /nfs/dbraw/zinc/11/88/30/253118830.db2.gz RAOFFDOTKJFXSH-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC)CC2)C1 ZINC000339666634 253122881 /nfs/dbraw/zinc/12/28/81/253122881.db2.gz HBJRNKJWFXDDEQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC)CC2)C1 ZINC000339666634 253122883 /nfs/dbraw/zinc/12/28/83/253122883.db2.gz HBJRNKJWFXDDEQ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCN(CCCCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000340197972 253214592 /nfs/dbraw/zinc/21/45/92/253214592.db2.gz XLSFSFBPRURZCQ-MRXNPFEDSA-N 1 3 310.486 0.910 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340486806 253264613 /nfs/dbraw/zinc/26/46/13/253264613.db2.gz VCECLTZBHOXRQG-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340486806 253264615 /nfs/dbraw/zinc/26/46/15/253264615.db2.gz VCECLTZBHOXRQG-ZNMIVQPWSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C ZINC000340520009 253270862 /nfs/dbraw/zinc/27/08/62/253270862.db2.gz XHNOJYUIMFGBSC-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000340520009 253270863 /nfs/dbraw/zinc/27/08/63/253270863.db2.gz XHNOJYUIMFGBSC-HZSPNIEDSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)C[NH+]1CCCC1 ZINC000340802423 253307147 /nfs/dbraw/zinc/30/71/47/253307147.db2.gz SRBDPMHCITZIKC-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000341192365 253355362 /nfs/dbraw/zinc/35/53/62/253355362.db2.gz ABWUGNXWBRCICL-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000341192365 253355364 /nfs/dbraw/zinc/35/53/64/253355364.db2.gz ABWUGNXWBRCICL-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341202576 253356462 /nfs/dbraw/zinc/35/64/62/253356462.db2.gz NBZNYOGVJPPYMY-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341202576 253356464 /nfs/dbraw/zinc/35/64/64/253356464.db2.gz NBZNYOGVJPPYMY-UONOGXRCSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC000419413057 296388740 /nfs/dbraw/zinc/38/87/40/296388740.db2.gz RHQMRLQGGRZRRO-RBSFLKMASA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](C)C1 ZINC000346146951 254015964 /nfs/dbraw/zinc/01/59/64/254015964.db2.gz WEBXBHROFWISSA-QAETUUGQSA-N 1 3 320.481 0.565 20 0 DCADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](C)C1 ZINC000346146951 254015967 /nfs/dbraw/zinc/01/59/67/254015967.db2.gz WEBXBHROFWISSA-QAETUUGQSA-N 1 3 320.481 0.565 20 0 DCADHO Cc1ccn2c(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cnc2c1 ZINC000347034486 254124008 /nfs/dbraw/zinc/12/40/08/254124008.db2.gz GDJNWVKLJGVDTH-AWEZNQCLSA-N 1 3 315.421 0.930 20 0 DCADHO CNC(=O)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347086164 254127847 /nfs/dbraw/zinc/12/78/47/254127847.db2.gz BSDDPZLUGMFIIQ-HNNXBMFYSA-N 1 3 318.421 0.333 20 0 DCADHO C[C@H](CC(N)=O)N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000347282271 254144832 /nfs/dbraw/zinc/14/48/32/254144832.db2.gz ZICYCHOZDBPVQW-UKRRQHHQSA-N 1 3 320.437 0.129 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000348768200 254254208 /nfs/dbraw/zinc/25/42/08/254254208.db2.gz ZACFMPNORRFFJO-HIFRSBDPSA-N 1 3 322.453 0.354 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000348768200 254254210 /nfs/dbraw/zinc/25/42/10/254254210.db2.gz ZACFMPNORRFFJO-HIFRSBDPSA-N 1 3 322.453 0.354 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)NCC1CCN(CCO)CC1 ZINC000349759158 254296563 /nfs/dbraw/zinc/29/65/63/254296563.db2.gz RFMXLURNSFUQMF-UHFFFAOYSA-N 1 3 312.458 0.476 20 0 DCADHO C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(C)CC1 ZINC000351533857 254344305 /nfs/dbraw/zinc/34/43/05/254344305.db2.gz JEQTWNLUPAGKGE-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000351767164 254366117 /nfs/dbraw/zinc/36/61/17/254366117.db2.gz FIYUZKWLMNKAJR-RRFJBIMHSA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000353636108 285318458 /nfs/dbraw/zinc/31/84/58/285318458.db2.gz FYUAXFDUAWHIAW-GJZGRUSLSA-N 1 3 313.490 0.509 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000236884626 285322118 /nfs/dbraw/zinc/32/21/18/285322118.db2.gz NEWBHLASIYZZNK-NVXWUHKLSA-N 1 3 310.486 0.766 20 0 DCADHO COCCCN(C)CCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000417745783 262260302 /nfs/dbraw/zinc/26/03/02/262260302.db2.gz FNIMLOFDQIIVKN-KBPBESRZSA-N 1 3 300.447 0.866 20 0 DCADHO NC[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000294969156 224346903 /nfs/dbraw/zinc/34/69/03/224346903.db2.gz IYDXILFFQCAJJJ-CVEARBPZSA-N 1 3 302.422 0.235 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000340214132 131204312 /nfs/dbraw/zinc/20/43/12/131204312.db2.gz GPWFITMTSWILDQ-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000340214132 131204313 /nfs/dbraw/zinc/20/43/13/131204313.db2.gz GPWFITMTSWILDQ-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000375719749 285595819 /nfs/dbraw/zinc/59/58/19/285595819.db2.gz OWGOMALQJUZGOB-OLZOCXBDSA-N 1 3 307.394 0.706 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000105193158 395780242 /nfs/dbraw/zinc/78/02/42/395780242.db2.gz KDQDCLUUGKVXDU-CYBMUJFWSA-N 1 3 312.458 0.879 20 0 DCADHO COCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105193158 395780246 /nfs/dbraw/zinc/78/02/46/395780246.db2.gz KDQDCLUUGKVXDU-CYBMUJFWSA-N 1 3 312.458 0.879 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cc[nH]n3)CC2)CC1 ZINC000051760057 395854040 /nfs/dbraw/zinc/85/40/40/395854040.db2.gz ZSMWBEISWDFXGZ-UHFFFAOYSA-N 1 3 320.441 0.768 20 0 DCADHO CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000236763637 395898758 /nfs/dbraw/zinc/89/87/58/395898758.db2.gz BIJQGJLJXUITOC-AWEZNQCLSA-N 1 3 312.458 0.517 20 0 DCADHO CN(C)C1CN(c2ncc(Cl)c(N3CC([NH+](C)C)C3)n2)C1 ZINC000273176905 395905336 /nfs/dbraw/zinc/90/53/36/395905336.db2.gz ALOOFKDQLXVLNZ-UHFFFAOYSA-N 1 3 310.833 0.630 20 0 DCADHO CC[NH+](CC)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000119667193 395874359 /nfs/dbraw/zinc/87/43/59/395874359.db2.gz SYCTWBCQJQLBST-QGZVFWFLSA-N 1 3 319.449 0.864 20 0 DCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261845359 396071795 /nfs/dbraw/zinc/07/17/95/396071795.db2.gz QXEDAMBPIJTZEM-OAGGEKHMSA-N 1 3 305.422 0.782 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000261613959 396049441 /nfs/dbraw/zinc/04/94/41/396049441.db2.gz BOCMTZFMZNBYMI-CVEARBPZSA-N 1 3 321.421 0.750 20 0 DCADHO Cc1nn(C)cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261636123 396051176 /nfs/dbraw/zinc/05/11/76/396051176.db2.gz DKEJQGQLTJKNAV-HOCLYGCPSA-N 1 3 319.453 0.809 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)CNC[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000261804542 396067883 /nfs/dbraw/zinc/06/78/83/396067883.db2.gz RDKYZWIEPCROTA-OWCLPIDISA-N 1 3 303.406 0.708 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278933449 396141911 /nfs/dbraw/zinc/14/19/11/396141911.db2.gz FJWSNRFYGVBCFJ-CHWSQXEVSA-N 1 3 305.426 0.900 20 0 DCADHO CNC(=O)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262151809 396104117 /nfs/dbraw/zinc/10/41/17/396104117.db2.gz RKJKOFDLMXATPU-MRXNPFEDSA-N 1 3 302.422 0.526 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000073125185 396142143 /nfs/dbraw/zinc/14/21/43/396142143.db2.gz KKUDMNQZSYABRO-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000073125185 396142144 /nfs/dbraw/zinc/14/21/44/396142144.db2.gz KKUDMNQZSYABRO-HUUCEWRRSA-N 1 3 324.469 0.245 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262296791 396120027 /nfs/dbraw/zinc/12/00/27/396120027.db2.gz PDKVKEATCKYZBU-OAHLLOKOSA-N 1 3 319.453 0.952 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCn2cccn2)C1)[C@@H]1CCC[NH2+]1 ZINC000262386926 396134306 /nfs/dbraw/zinc/13/43/06/396134306.db2.gz ZIHYXCKASJSFEM-GJZGRUSLSA-N 1 3 305.426 0.463 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000261885561 396075804 /nfs/dbraw/zinc/07/58/04/396075804.db2.gz MYZGUFPXUIAANH-INIZCTEOSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263229963 396207701 /nfs/dbraw/zinc/20/77/01/396207701.db2.gz HXCWUMJGPNSCBX-ZFWWWQNUSA-N 1 3 312.458 0.180 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263229963 396207706 /nfs/dbraw/zinc/20/77/06/396207706.db2.gz HXCWUMJGPNSCBX-ZFWWWQNUSA-N 1 3 312.458 0.180 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000262661997 396170103 /nfs/dbraw/zinc/17/01/03/396170103.db2.gz GSJIHSFGDJBHSS-MRXNPFEDSA-N 1 3 305.422 0.519 20 0 DCADHO CC[N@H+](CCNC(=O)NCC1(O)CCN(C)CC1)C(C)C ZINC000077807180 396233787 /nfs/dbraw/zinc/23/37/87/396233787.db2.gz YALOJCYGERSOOY-UHFFFAOYSA-N 1 3 300.447 0.473 20 0 DCADHO CC[N@@H+](CCNC(=O)NCC1(O)CCN(C)CC1)C(C)C ZINC000077807180 396233791 /nfs/dbraw/zinc/23/37/91/396233791.db2.gz YALOJCYGERSOOY-UHFFFAOYSA-N 1 3 300.447 0.473 20 0 DCADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)cc2c1OCO2 ZINC000265837228 396345532 /nfs/dbraw/zinc/34/55/32/396345532.db2.gz FLZJPIAQLLNNQX-UHFFFAOYSA-N 1 3 308.378 0.970 20 0 DCADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000268967107 396379554 /nfs/dbraw/zinc/37/95/54/396379554.db2.gz HICNFXCFCDGPPW-CYBMUJFWSA-N 1 3 316.409 0.770 20 0 DCADHO C[NH2+]CCC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000286199801 396380286 /nfs/dbraw/zinc/38/02/86/396380286.db2.gz SDNSQARXOFRUHD-UHFFFAOYSA-N 1 3 318.465 0.920 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000580823516 396502004 /nfs/dbraw/zinc/50/20/04/396502004.db2.gz RZYZDSGHZNWIHD-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](C)C1 ZINC000581777578 396583530 /nfs/dbraw/zinc/58/35/30/396583530.db2.gz WTZKLEZBBHHXOK-VGWMRTNUSA-N 1 3 324.469 0.737 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000581121612 396527140 /nfs/dbraw/zinc/52/71/40/396527140.db2.gz RYYLLUCTEJFIGI-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO CC(C)=CCCNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000581214679 396535126 /nfs/dbraw/zinc/53/51/26/396535126.db2.gz JYWSKIPOFWHDHE-UHFFFAOYSA-N 1 3 312.458 0.411 20 0 DCADHO CN1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000581262485 396540110 /nfs/dbraw/zinc/54/01/10/396540110.db2.gz OZMWOGRKSJENNP-UKRRQHHQSA-N 1 3 305.426 0.611 20 0 DCADHO [NH3+]CCc1nc(C(=O)Nc2cnc3c(c2)CNCC3)cs1 ZINC000373513884 396596263 /nfs/dbraw/zinc/59/62/63/396596263.db2.gz HPGCXHITRNMIEA-UHFFFAOYSA-N 1 3 303.391 0.937 20 0 DCADHO O=C(COC1CNC1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000584720228 396618069 /nfs/dbraw/zinc/61/80/69/396618069.db2.gz BCSVUHVJUVCOEH-HNNXBMFYSA-N 1 3 318.421 0.541 20 0 DCADHO C[C@@H](CNC[C@@H](O)COC1CCOCC1)C[NH+]1CCCC1 ZINC000584834351 396627618 /nfs/dbraw/zinc/62/76/18/396627618.db2.gz KBDFGECZDLZCLM-LSDHHAIUSA-N 1 3 300.443 0.864 20 0 DCADHO C[C@@H](C[NH2+]C[C@@H](O)COC1CCOCC1)CN1CCCC1 ZINC000584834351 396627621 /nfs/dbraw/zinc/62/76/21/396627621.db2.gz KBDFGECZDLZCLM-LSDHHAIUSA-N 1 3 300.443 0.864 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000374077974 396637964 /nfs/dbraw/zinc/63/79/64/396637964.db2.gz LUGBUIULZHAEEJ-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000374077974 396637966 /nfs/dbraw/zinc/63/79/66/396637966.db2.gz LUGBUIULZHAEEJ-CVEARBPZSA-N 1 3 308.470 0.709 20 0 DCADHO CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900226 396679144 /nfs/dbraw/zinc/67/91/44/396679144.db2.gz BPTQMPABGBWJFH-OCCSQVGLSA-N 1 3 310.442 0.932 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000588699116 396688863 /nfs/dbraw/zinc/68/88/63/396688863.db2.gz FBYXKIJFBWBNGC-KBPBESRZSA-N 1 3 308.426 0.021 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000588699116 396688865 /nfs/dbraw/zinc/68/88/65/396688865.db2.gz FBYXKIJFBWBNGC-KBPBESRZSA-N 1 3 308.426 0.021 20 0 DCADHO CC(C)N1CCC([NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562987287 396690412 /nfs/dbraw/zinc/69/04/12/396690412.db2.gz XFKKLAOHSADCCL-BFYDXBDKSA-N 1 3 313.486 0.919 20 0 DCADHO CC(C)[NH+]1CCC(NC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000562987287 396690414 /nfs/dbraw/zinc/69/04/14/396690414.db2.gz XFKKLAOHSADCCL-BFYDXBDKSA-N 1 3 313.486 0.919 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000562988726 396691485 /nfs/dbraw/zinc/69/14/85/396691485.db2.gz AYGILMPBSYCWDB-OVYGPGRDSA-N 1 3 313.486 0.919 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)C[C@@H](C)O1 ZINC000562988726 396691487 /nfs/dbraw/zinc/69/14/87/396691487.db2.gz AYGILMPBSYCWDB-OVYGPGRDSA-N 1 3 313.486 0.919 20 0 DCADHO CC(C)[C@H](CNC(=O)C(=O)NC1CNC1)[NH+]1CCCCCC1 ZINC000563615392 396759904 /nfs/dbraw/zinc/75/99/04/396759904.db2.gz LYKWJGVHEGRARD-AWEZNQCLSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)N1CCN(C)CC1 ZINC000314016669 396776447 /nfs/dbraw/zinc/77/64/47/396776447.db2.gz HEDRTWXAUYDPTH-RYUDHWBXSA-N 1 3 306.401 0.357 20 0 DCADHO N[C@H](CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000375954175 396850214 /nfs/dbraw/zinc/85/02/14/396850214.db2.gz NNWHFXBLVHIJFJ-JKSUJKDBSA-N 1 3 302.422 0.583 20 0 DCADHO O[C@H](CNC[C@H]1CCC2(CCOCC2)[C@H]1O)C[NH+]1CCCC1 ZINC000629597986 396804402 /nfs/dbraw/zinc/80/44/02/396804402.db2.gz VDQCIWRUDDOSPC-OAGGEKHMSA-N 1 3 312.454 0.600 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000612543764 397086788 /nfs/dbraw/zinc/08/67/88/397086788.db2.gz SGIJHTXCQHTUML-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)Cc1cccc(NC(=O)NCCN2CC[C@H](O)C2)c1 ZINC000626264109 397124153 /nfs/dbraw/zinc/12/41/53/397124153.db2.gz BEHXCDNXCYLSPU-HNNXBMFYSA-N 1 3 306.410 0.936 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000592219273 397135151 /nfs/dbraw/zinc/13/51/51/397135151.db2.gz HJGCRIPKNRBQGH-LSDHHAIUSA-N 1 3 308.470 0.611 20 0 DCADHO CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377808344 397145589 /nfs/dbraw/zinc/14/55/89/397145589.db2.gz XSHBLDURSLXVCW-DLBZAZTESA-N 1 3 322.497 0.766 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000572959272 397115513 /nfs/dbraw/zinc/11/55/13/397115513.db2.gz BCAFUTKKBVNVLW-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)(CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N1CCCCC1 ZINC000574143007 397239362 /nfs/dbraw/zinc/23/93/62/397239362.db2.gz WLCLLFLZDXKNFF-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO COC(=O)[C@@]1(C)C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@@H]1C ZINC000602022206 397285972 /nfs/dbraw/zinc/28/59/72/397285972.db2.gz RNVRRLJGPHOMBQ-XEZPLFJOSA-N 1 3 311.426 0.315 20 0 DCADHO COC(=O)[C@@]1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@@H]1C ZINC000602022206 397285979 /nfs/dbraw/zinc/28/59/79/397285979.db2.gz RNVRRLJGPHOMBQ-XEZPLFJOSA-N 1 3 311.426 0.315 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000626914700 397286109 /nfs/dbraw/zinc/28/61/09/397286109.db2.gz QECWIMSRJOXSEV-CYBMUJFWSA-N 1 3 304.394 0.207 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000574691886 397290663 /nfs/dbraw/zinc/29/06/63/397290663.db2.gz WGWGJZAURLSLOX-YNEHKIRRSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000574691884 397291116 /nfs/dbraw/zinc/29/11/16/397291116.db2.gz WGWGJZAURLSLOX-RWMBFGLXSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CCN1C ZINC000592960255 397304741 /nfs/dbraw/zinc/30/47/41/397304741.db2.gz WERNKZPEBFHXCA-AGIUHOORSA-N 1 3 305.426 0.932 20 0 DCADHO COCCOC[C@H]1CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000578070839 397386833 /nfs/dbraw/zinc/38/68/33/397386833.db2.gz MUEMEHJVVWMRHX-BZSNNMDCSA-N 1 3 322.449 0.902 20 0 DCADHO COCCOC[C@H]1CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000578070839 397386836 /nfs/dbraw/zinc/38/68/36/397386836.db2.gz MUEMEHJVVWMRHX-BZSNNMDCSA-N 1 3 322.449 0.902 20 0 DCADHO COCCOC[C@H]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000578070839 397386844 /nfs/dbraw/zinc/38/68/44/397386844.db2.gz MUEMEHJVVWMRHX-BZSNNMDCSA-N 1 3 322.449 0.902 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000578055112 397383772 /nfs/dbraw/zinc/38/37/72/397383772.db2.gz BVQQCGUWYHOAHG-ZNMIVQPWSA-N 1 3 322.453 0.317 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000578374574 397429635 /nfs/dbraw/zinc/42/96/35/397429635.db2.gz AMLCRYQXNOTRBO-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO COCCN(C)C[C@@H](O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000578374574 397429639 /nfs/dbraw/zinc/42/96/39/397429639.db2.gz AMLCRYQXNOTRBO-QGZVFWFLSA-N 1 3 313.486 0.876 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000471634120 397448525 /nfs/dbraw/zinc/44/85/25/397448525.db2.gz DMKPUFQABBGUMD-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471642964 397449644 /nfs/dbraw/zinc/44/96/44/397449644.db2.gz FUGCAIGETCUTFC-HNNXBMFYSA-N 1 3 314.474 0.842 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471642964 397449652 /nfs/dbraw/zinc/44/96/52/397449652.db2.gz FUGCAIGETCUTFC-HNNXBMFYSA-N 1 3 314.474 0.842 20 0 DCADHO CCCN(C(=O)C(=O)N1CC[C@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000578738645 397475577 /nfs/dbraw/zinc/47/55/77/397475577.db2.gz IOCABBVKWGNFTI-GJZGRUSLSA-N 1 3 322.453 0.284 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)nn1 ZINC000579587634 397581893 /nfs/dbraw/zinc/58/18/93/397581893.db2.gz ROTGTFRGJHEECR-CYBMUJFWSA-N 1 3 320.441 0.764 20 0 DCADHO CN1CCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000603783235 397621109 /nfs/dbraw/zinc/62/11/09/397621109.db2.gz YSROQGHBLNWDQZ-HNNXBMFYSA-N 1 3 303.410 0.866 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000608693794 397746726 /nfs/dbraw/zinc/74/67/26/397746726.db2.gz YPZVPQJIBMPCGZ-CQSZACIVSA-N 1 3 314.474 0.984 20 0 DCADHO CN1CCN(CCCNC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090951952 158106179 /nfs/dbraw/zinc/10/61/79/158106179.db2.gz MLVVPVGWOWDINR-UHFFFAOYSA-N 1 3 311.455 0.012 20 0 DCADHO COC(=O)[C@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170758848 158375919 /nfs/dbraw/zinc/37/59/19/158375919.db2.gz DYZMAINSBNQTSV-CABCVRRESA-N 1 3 323.437 0.470 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000359275678 159259861 /nfs/dbraw/zinc/25/98/61/159259861.db2.gz FVLSSRMIQCISMY-DZGCQCFKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000359272389 159260482 /nfs/dbraw/zinc/26/04/82/159260482.db2.gz AMAUGTFNOXLPAY-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000359272389 159260484 /nfs/dbraw/zinc/26/04/84/159260484.db2.gz AMAUGTFNOXLPAY-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO CCS(=O)(=O)NCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367216666 159322107 /nfs/dbraw/zinc/32/21/07/159322107.db2.gz FMMNXZSRVXIYGA-PBWFPOADSA-N 1 3 303.472 0.873 20 0 DCADHO CCS(=O)(=O)NCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367216666 159322109 /nfs/dbraw/zinc/32/21/09/159322109.db2.gz FMMNXZSRVXIYGA-PBWFPOADSA-N 1 3 303.472 0.873 20 0 DCADHO C[NH+](C)CC1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCCC1 ZINC000368173770 159379159 /nfs/dbraw/zinc/37/91/59/159379159.db2.gz MWHZGYHCXUHXPJ-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)CCO1 ZINC000376939619 159884455 /nfs/dbraw/zinc/88/44/55/159884455.db2.gz ALSPXRKJLBGMCP-CQSZACIVSA-N 1 3 311.426 0.208 20 0 DCADHO CNC(=O)[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192738494 287059839 /nfs/dbraw/zinc/05/98/39/287059839.db2.gz FIVNMPQYPJFCJB-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CNC(=O)[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192738494 287059842 /nfs/dbraw/zinc/05/98/42/287059842.db2.gz FIVNMPQYPJFCJB-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H]1C(=O)NCCCN1CCCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248991447 287179480 /nfs/dbraw/zinc/17/94/80/287179480.db2.gz FWVADXFMZVCORW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1C(=O)NCCCN1CCCCC[N@H+]1CCCNC(=O)[C@H]1C ZINC000248991447 287179482 /nfs/dbraw/zinc/17/94/82/287179482.db2.gz FWVADXFMZVCORW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418953528 287257059 /nfs/dbraw/zinc/25/70/59/287257059.db2.gz WKQPMBBWROUHND-CZUORRHYSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@@H]1CN ZINC000418992565 287259161 /nfs/dbraw/zinc/25/91/61/287259161.db2.gz GHBHPAUTAMULFY-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419046158 287263848 /nfs/dbraw/zinc/26/38/48/287263848.db2.gz PBNWWQAAXFLUFG-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N1CCC(C)CC1 ZINC000419145080 287266803 /nfs/dbraw/zinc/26/68/03/287266803.db2.gz GNMUMCGVBPKXML-RRFJBIMHSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336158 287291239 /nfs/dbraw/zinc/29/12/39/287291239.db2.gz LNGOVGVCIRJHEA-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000332085356 415236858 /nfs/dbraw/zinc/23/68/58/415236858.db2.gz FMVVUKYDQQLWKB-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)C)CC1 ZINC000352647844 415266087 /nfs/dbraw/zinc/26/60/87/415266087.db2.gz ZNQGJQJSLBNNRK-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000332599342 415423223 /nfs/dbraw/zinc/42/32/23/415423223.db2.gz OFYOGXAEKGEPQA-GBJTYRQASA-N 1 3 322.453 0.328 20 0 DCADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000343245988 415517199 /nfs/dbraw/zinc/51/71/99/415517199.db2.gz CPRWTWNROROXMM-KURKYZTESA-N 1 3 324.513 0.761 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343283617 415527213 /nfs/dbraw/zinc/52/72/13/415527213.db2.gz DEJQQNZZRODGNA-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343283617 415527225 /nfs/dbraw/zinc/52/72/25/415527225.db2.gz DEJQQNZZRODGNA-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343294072 415536574 /nfs/dbraw/zinc/53/65/74/415536574.db2.gz ITYLZWSLKRCRTD-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343294072 415536579 /nfs/dbraw/zinc/53/65/79/415536579.db2.gz ITYLZWSLKRCRTD-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000353670016 415618990 /nfs/dbraw/zinc/61/89/90/415618990.db2.gz YKNDXFQMMBPWTO-QGZVFWFLSA-N 1 3 324.469 0.435 20 0 DCADHO O=C([C@H]1CN2CCN1CCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000343511735 415622385 /nfs/dbraw/zinc/62/23/85/415622385.db2.gz AVDSNQNZORQEHN-IAGOWNOFSA-N 1 3 320.481 0.711 20 0 DCADHO COCC1(CNC(=O)N2CCN3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000333494141 415667308 /nfs/dbraw/zinc/66/73/08/415667308.db2.gz DQMYUJZZGXUJPI-AWEZNQCLSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@@H](CN1CCOCC1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343725618 415699701 /nfs/dbraw/zinc/69/97/01/415699701.db2.gz FCHRVEWKRUQMDZ-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H](CN1CCOCC1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343725618 415699707 /nfs/dbraw/zinc/69/97/07/415699707.db2.gz FCHRVEWKRUQMDZ-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H](CN1CCOCC1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343725618 415699712 /nfs/dbraw/zinc/69/97/12/415699712.db2.gz FCHRVEWKRUQMDZ-DLBZAZTESA-N 1 3 324.513 0.807 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333689183 415713952 /nfs/dbraw/zinc/71/39/52/415713952.db2.gz POBAOZQQTFOREO-CQSZACIVSA-N 1 3 311.474 0.454 20 0 DCADHO CC1CCN(CCNC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000333944211 415769195 /nfs/dbraw/zinc/76/91/95/415769195.db2.gz RSPNFXUNLIRNME-INIZCTEOSA-N 1 3 323.485 0.407 20 0 DCADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000336858932 415843042 /nfs/dbraw/zinc/84/30/42/415843042.db2.gz CWYHAIABKOLTKO-DZGCQCFKSA-N 1 3 312.458 0.324 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000126369153 415874910 /nfs/dbraw/zinc/87/49/10/415874910.db2.gz BPZFBGNTXLLNSS-HIFRSBDPSA-N 1 3 300.447 0.473 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000126728632 415878604 /nfs/dbraw/zinc/87/86/04/415878604.db2.gz VDOILXYFKOAAFH-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000126728632 415878608 /nfs/dbraw/zinc/87/86/08/415878608.db2.gz VDOILXYFKOAAFH-KGLIPLIRSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000126729244 415880675 /nfs/dbraw/zinc/88/06/75/415880675.db2.gz VDOILXYFKOAAFH-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000126729244 415880678 /nfs/dbraw/zinc/88/06/78/415880678.db2.gz VDOILXYFKOAAFH-UONOGXRCSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1COCCN1CCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000337187220 415924781 /nfs/dbraw/zinc/92/47/81/415924781.db2.gz PWGIZYZJVDUEHJ-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1COCCN1CCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000337187220 415924786 /nfs/dbraw/zinc/92/47/86/415924786.db2.gz PWGIZYZJVDUEHJ-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO C[C@@H]1COCCN1CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000337187220 415924790 /nfs/dbraw/zinc/92/47/90/415924790.db2.gz PWGIZYZJVDUEHJ-IAGOWNOFSA-N 1 3 324.513 0.807 20 0 DCADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccsc1 ZINC000164902611 416019510 /nfs/dbraw/zinc/01/95/10/416019510.db2.gz YCGJEAFUBPILEM-BFHYXJOUSA-N 1 3 311.451 0.970 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000338580153 416111276 /nfs/dbraw/zinc/11/12/76/416111276.db2.gz BJMUBEJUMKLMAF-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000338580153 416111281 /nfs/dbraw/zinc/11/12/81/416111281.db2.gz BJMUBEJUMKLMAF-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO O=C(CN1CC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000320382758 416121258 /nfs/dbraw/zinc/12/12/58/416121258.db2.gz RDCZMUXDEHFPOB-QGZVFWFLSA-N 1 3 316.449 0.845 20 0 DCADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000345692170 416135420 /nfs/dbraw/zinc/13/54/20/416135420.db2.gz MOQPVOFDYLHLAY-NWDGAFQWSA-N 1 3 307.385 0.928 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCN1C ZINC000345802176 416152881 /nfs/dbraw/zinc/15/28/81/416152881.db2.gz ZSUIPRWGXKEKMK-ILXRZTDVSA-N 1 3 312.458 0.615 20 0 DCADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@H]1c1cccs1 ZINC000357921542 416153235 /nfs/dbraw/zinc/15/32/35/416153235.db2.gz MPYWOYRDRMYVRI-OSFYFWSMSA-N 1 3 323.462 0.970 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428595 416158321 /nfs/dbraw/zinc/15/83/21/416158321.db2.gz PTYFFHHHDDSDCC-INIZCTEOSA-N 1 3 311.426 0.426 20 0 DCADHO COC(=O)CN(C)C(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428595 416158324 /nfs/dbraw/zinc/15/83/24/416158324.db2.gz PTYFFHHHDDSDCC-INIZCTEOSA-N 1 3 311.426 0.426 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341995922 416263463 /nfs/dbraw/zinc/26/34/63/416263463.db2.gz DAEKANNSTRLMPX-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341995922 416263465 /nfs/dbraw/zinc/26/34/65/416263465.db2.gz DAEKANNSTRLMPX-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342054862 416273622 /nfs/dbraw/zinc/27/36/22/416273622.db2.gz ANBZDGRIGVPYCT-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342054862 416273626 /nfs/dbraw/zinc/27/36/26/416273626.db2.gz ANBZDGRIGVPYCT-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000359244531 416315641 /nfs/dbraw/zinc/31/56/41/416315641.db2.gz YISGJJSZXIFKNZ-AWEZNQCLSA-N 1 3 324.469 0.975 20 0 DCADHO CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)NC(=O)[C@H](CC)N(C)C ZINC000359248608 416315947 /nfs/dbraw/zinc/31/59/47/416315947.db2.gz HFGXNXQERWZJKT-RDBSUJKOSA-N 1 3 314.474 0.678 20 0 DCADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)NC(=O)[C@H](CC)[NH+](C)C ZINC000359248608 416315948 /nfs/dbraw/zinc/31/59/48/416315948.db2.gz HFGXNXQERWZJKT-RDBSUJKOSA-N 1 3 314.474 0.678 20 0 DCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000331464050 416316135 /nfs/dbraw/zinc/31/61/35/416316135.db2.gz NDPNHWJTJGAFIT-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000359261077 416317809 /nfs/dbraw/zinc/31/78/09/416317809.db2.gz JSJPOPRMVRWDNR-KBPBESRZSA-N 1 3 324.469 0.600 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000359261077 416317812 /nfs/dbraw/zinc/31/78/12/416317812.db2.gz JSJPOPRMVRWDNR-KBPBESRZSA-N 1 3 324.469 0.600 20 0 DCADHO [NH3+]CCCN(CCC(=O)N1CCNCC1)Cc1ccccc1 ZINC000351625298 416278739 /nfs/dbraw/zinc/27/87/39/416278739.db2.gz VXUPEJRVCLOLMU-UHFFFAOYSA-N 1 3 304.438 0.659 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1CC12CC[NH2+]CC2 ZINC000261963316 416335834 /nfs/dbraw/zinc/33/58/34/416335834.db2.gz SHLTYQHQASHVOY-CQSZACIVSA-N 1 3 315.421 0.819 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000263722001 416338698 /nfs/dbraw/zinc/33/86/98/416338698.db2.gz DLFUHBLKSYKKOS-UHFFFAOYSA-N 1 3 322.453 0.996 20 0 DCADHO COCCN(C)CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000263722001 416338699 /nfs/dbraw/zinc/33/86/99/416338699.db2.gz DLFUHBLKSYKKOS-UHFFFAOYSA-N 1 3 322.453 0.996 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415644270 416349862 /nfs/dbraw/zinc/34/98/62/416349862.db2.gz UKNPCUYXXXCMDR-ZDUSSCGKSA-N 1 3 318.421 0.727 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)c1 ZINC000415856143 416356092 /nfs/dbraw/zinc/35/60/92/416356092.db2.gz DPEMRLZMGIBCCM-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419917713 416414954 /nfs/dbraw/zinc/41/49/54/416414954.db2.gz SIHGRQZFUDVTHP-GJZGRUSLSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)[C@@H](CNC(=O)NCC1([NH3+])CCC1)N1CCN(C)CC1 ZINC000416942025 416379718 /nfs/dbraw/zinc/37/97/18/416379718.db2.gz AREYTYJKBZZKEJ-CQSZACIVSA-N 1 3 311.474 0.439 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000417313856 416382620 /nfs/dbraw/zinc/38/26/20/416382620.db2.gz QFEXZWJDAHGJRN-HZPDHXFCSA-N 1 3 320.437 0.967 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417870982 416384987 /nfs/dbraw/zinc/38/49/87/416384987.db2.gz JCMBXGSKXPDFCL-ZFWWWQNUSA-N 1 3 309.458 0.064 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418447136 416387261 /nfs/dbraw/zinc/38/72/61/416387261.db2.gz OZTUZSAMCZGFJZ-GJZGRUSLSA-N 1 3 314.474 0.896 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418659599 416388662 /nfs/dbraw/zinc/38/86/62/416388662.db2.gz XOYJCJPRINEUNR-GDBMZVCRSA-N 1 3 319.453 0.452 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCCCC1 ZINC000418830542 416391047 /nfs/dbraw/zinc/39/10/47/416391047.db2.gz IDPMCUCPVAAIJZ-ZDUSSCGKSA-N 1 3 310.442 0.221 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000418832336 416391828 /nfs/dbraw/zinc/39/18/28/416391828.db2.gz JZWRJCWMGGJQTG-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H](CN)C2CC2)CCCCCC1 ZINC000418907330 416393824 /nfs/dbraw/zinc/39/38/24/416393824.db2.gz XVFMWZXNHCOWQE-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000418933654 416394060 /nfs/dbraw/zinc/39/40/60/416394060.db2.gz ISPVOSONUHBOAT-HIFRSBDPSA-N 1 3 320.437 0.649 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1CCC(C)CC1 ZINC000419142978 416397191 /nfs/dbraw/zinc/39/71/91/416397191.db2.gz DDOZYXIABPIYLO-TZMCWYRMSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCSC1 ZINC000360656161 416401711 /nfs/dbraw/zinc/40/17/11/416401711.db2.gz GIQNYEPVFKXBAM-SWLSCSKDSA-N 1 3 312.483 0.960 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000419416016 416401780 /nfs/dbraw/zinc/40/17/80/416401780.db2.gz VQWLXAZVGWELNU-ILXRZTDVSA-N 1 3 324.469 0.278 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419736736 416407787 /nfs/dbraw/zinc/40/77/87/416407787.db2.gz RXVKENNWJWHPGA-MJBXVCDLSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC[NH2+]1 ZINC000419754560 416409053 /nfs/dbraw/zinc/40/90/53/416409053.db2.gz ANNHIYMQUNQQFR-HZSPNIEDSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419764488 416409600 /nfs/dbraw/zinc/40/96/00/416409600.db2.gz PLNHVYFJQSYURW-RRFJBIMHSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423059952 416463375 /nfs/dbraw/zinc/46/33/75/416463375.db2.gz GWROUTJBNJZLKN-LSDHHAIUSA-N 1 3 324.469 0.101 20 0 DCADHO CN1CCN(CC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1(C)C ZINC000423100950 416464627 /nfs/dbraw/zinc/46/46/27/416464627.db2.gz NDBCIVRNRSXYCE-HZPDHXFCSA-N 1 3 310.486 0.369 20 0 DCADHO C[C@@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423095335 416465583 /nfs/dbraw/zinc/46/55/83/416465583.db2.gz DWLYOQMNGDCFDG-JTQLQIEISA-N 1 3 321.393 0.960 20 0 DCADHO COC(=O)c1cn(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nn1 ZINC000423113993 416468653 /nfs/dbraw/zinc/46/86/53/416468653.db2.gz ZQCOJXMGJDDSJU-BFHYXJOUSA-N 1 3 321.425 0.965 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423151325 416469675 /nfs/dbraw/zinc/46/96/75/416469675.db2.gz JVAKKIZYOGADFJ-CABCVRRESA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@H]1CCCCN1 ZINC000423171754 416471989 /nfs/dbraw/zinc/47/19/89/416471989.db2.gz PWHVHEGJEAXVNB-JKSUJKDBSA-N 1 3 311.470 0.988 20 0 DCADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)N(C)CCN)C2)CC1 ZINC000423201310 416477296 /nfs/dbraw/zinc/47/72/96/416477296.db2.gz ICJDFDFZRDZSIM-OAHLLOKOSA-N 1 3 324.469 0.374 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458553144 416481542 /nfs/dbraw/zinc/48/15/42/416481542.db2.gz KSEOKLASVQHSIF-BMFZPTHFSA-N 1 3 324.469 0.615 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458553144 416481544 /nfs/dbraw/zinc/48/15/44/416481544.db2.gz KSEOKLASVQHSIF-BMFZPTHFSA-N 1 3 324.469 0.615 20 0 DCADHO CCN1CCC(NC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)CC1 ZINC000422638481 416443369 /nfs/dbraw/zinc/44/33/69/416443369.db2.gz QJABQGCASJJGOO-KKUMJFAQSA-N 1 3 310.486 0.892 20 0 DCADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000422953749 416450751 /nfs/dbraw/zinc/45/07/51/416450751.db2.gz GDQGXKYFXGUAFV-DOTOQJQBSA-N 1 3 322.497 0.908 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423524793 416522143 /nfs/dbraw/zinc/52/21/43/416522143.db2.gz ZZBCEKLAISWDKM-KKUMJFAQSA-N 1 3 324.469 0.371 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000423628397 416531604 /nfs/dbraw/zinc/53/16/04/416531604.db2.gz WFNPHRGFLFSIHI-GJZGRUSLSA-N 1 3 322.453 0.413 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423643315 416534087 /nfs/dbraw/zinc/53/40/87/416534087.db2.gz IVHIQLYHTABPFQ-UONOGXRCSA-N 1 3 310.442 0.269 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000423643315 416534092 /nfs/dbraw/zinc/53/40/92/416534092.db2.gz IVHIQLYHTABPFQ-UONOGXRCSA-N 1 3 310.442 0.269 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423646654 416535063 /nfs/dbraw/zinc/53/50/63/416535063.db2.gz MDHWEIZUJXDQOD-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000423646654 416535067 /nfs/dbraw/zinc/53/50/67/416535067.db2.gz MDHWEIZUJXDQOD-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423724740 416550030 /nfs/dbraw/zinc/55/00/30/416550030.db2.gz NDQDQPMEFMJZHU-ZIAGYGMSSA-N 1 3 310.442 0.126 20 0 DCADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000423747806 416555766 /nfs/dbraw/zinc/55/57/66/416555766.db2.gz SULYUOWSYIJOGG-JKSUJKDBSA-N 1 3 305.422 0.820 20 0 DCADHO CO[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000361762623 416492288 /nfs/dbraw/zinc/49/22/88/416492288.db2.gz DEEHOSMAFADIPZ-INIZCTEOSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CCCC[C@@H]1C ZINC000423334079 416494925 /nfs/dbraw/zinc/49/49/25/416494925.db2.gz QJZAAUXTLFJCQR-QWHCGFSZSA-N 1 3 308.430 0.620 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423366315 416496701 /nfs/dbraw/zinc/49/67/01/416496701.db2.gz CKNZSTBTEVBTQW-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000458819239 416503260 /nfs/dbraw/zinc/50/32/60/416503260.db2.gz WAKMAWNEUFRLNP-GJZGRUSLSA-N 1 3 314.474 0.861 20 0 DCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000458819239 416503265 /nfs/dbraw/zinc/50/32/65/416503265.db2.gz WAKMAWNEUFRLNP-GJZGRUSLSA-N 1 3 314.474 0.861 20 0 DCADHO CN1[C@@H]2CC[C@H]1CN(C(=O)c1ccn(CC[NH+](C)C)n1)CC2 ZINC000584182252 416506075 /nfs/dbraw/zinc/50/60/75/416506075.db2.gz VKOCUBUVAFWINH-KGLIPLIRSA-N 1 3 305.426 0.753 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCC[NH2+]C)CC1=O ZINC000424015764 416604154 /nfs/dbraw/zinc/60/41/54/416604154.db2.gz AEOADYSAKRMSKR-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCN2CCC[C@@H]2C1 ZINC000424144542 416617697 /nfs/dbraw/zinc/61/76/97/416617697.db2.gz LPHFSJLKZHIRTE-QWHCGFSZSA-N 1 3 304.398 0.123 20 0 DCADHO N[C@@H]1C[C@@H]1C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000424150656 416619225 /nfs/dbraw/zinc/61/92/25/416619225.db2.gz DRFZNTSNGKLXFJ-QJPTWQEYSA-N 1 3 306.435 0.961 20 0 DCADHO CN(C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[C@H]1CCN(C2CC2)C1 ZINC000424158515 416619947 /nfs/dbraw/zinc/61/99/47/416619947.db2.gz RBGKLAFSDMENKK-KGLIPLIRSA-N 1 3 318.425 0.511 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000424162517 416619975 /nfs/dbraw/zinc/61/99/75/416619975.db2.gz WYYBITCHKJDMIU-JKSUJKDBSA-N 1 3 303.406 0.607 20 0 DCADHO CC[NH+]1CCC(CNC(=O)NCCCN(C)CCOC)CC1 ZINC000557690215 416750361 /nfs/dbraw/zinc/75/03/61/416750361.db2.gz BSIRDRVCNSILIE-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(N(C)C)ncn1 ZINC000515257833 416696137 /nfs/dbraw/zinc/69/61/37/416696137.db2.gz WVFHMBNKVVIGAU-UHFFFAOYSA-N 1 3 323.445 0.500 20 0 DCADHO CS[C@@H]1CC[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000425341779 416697393 /nfs/dbraw/zinc/69/73/93/416697393.db2.gz GGBRVKMHYPXLBD-HUUCEWRRSA-N 1 3 301.500 0.860 20 0 DCADHO CCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426564341 416774144 /nfs/dbraw/zinc/77/41/44/416774144.db2.gz DDMMANMRRORRSG-CABCVRRESA-N 1 3 312.458 0.615 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000641327196 416785366 /nfs/dbraw/zinc/78/53/66/416785366.db2.gz BHEISKWLJGKSSQ-OAHLLOKOSA-N 1 3 312.458 0.914 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000631906578 416791652 /nfs/dbraw/zinc/79/16/52/416791652.db2.gz QCWZWECNRNFHAY-UHFFFAOYSA-N 1 3 303.472 0.732 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631906925 416791702 /nfs/dbraw/zinc/79/17/02/416791702.db2.gz ZAYILNYKMFJDPA-KGLIPLIRSA-N 1 3 301.456 0.628 20 0 DCADHO C[N@H+](CCNC(=O)NCCN1CC[C@H](O)C1)Cc1ccccc1 ZINC000636630011 416802002 /nfs/dbraw/zinc/80/20/02/416802002.db2.gz FDHXICJUNYPCAR-INIZCTEOSA-N 1 3 320.437 0.484 20 0 DCADHO C[N@@H+](CCNC(=O)NCCN1CC[C@H](O)C1)Cc1ccccc1 ZINC000636630011 416802008 /nfs/dbraw/zinc/80/20/08/416802008.db2.gz FDHXICJUNYPCAR-INIZCTEOSA-N 1 3 320.437 0.484 20 0 DCADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCN3)cc2)C1 ZINC000444170026 416810124 /nfs/dbraw/zinc/81/01/24/416810124.db2.gz SUWBGIQIEDHNIR-UKRRQHHQSA-N 1 3 316.405 0.684 20 0 DCADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCN3)cc2)C1 ZINC000444170026 416810128 /nfs/dbraw/zinc/81/01/28/416810128.db2.gz SUWBGIQIEDHNIR-UKRRQHHQSA-N 1 3 316.405 0.684 20 0 DCADHO CC[C@H]1CN(S(=O)(=O)CCCN2CCCC2)CC[C@H]1[NH3+] ZINC000631932330 416813559 /nfs/dbraw/zinc/81/35/59/416813559.db2.gz TXBOCGHTXKUOOZ-UONOGXRCSA-N 1 3 303.472 0.861 20 0 DCADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444190971 416816504 /nfs/dbraw/zinc/81/65/04/416816504.db2.gz XBYPDPCUUFCXGE-DZGCQCFKSA-N 1 3 316.405 0.684 20 0 DCADHO C[C@]1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCC[NH2+]C1 ZINC000518501221 416859630 /nfs/dbraw/zinc/85/96/30/416859630.db2.gz FCEBYOZAHWFDRR-YOEHRIQHSA-N 1 3 322.453 0.189 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632047685 416883396 /nfs/dbraw/zinc/88/33/96/416883396.db2.gz PNBRSSWLHZURHX-AWEZNQCLSA-N 1 3 305.488 0.932 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000632047685 416883402 /nfs/dbraw/zinc/88/34/02/416883402.db2.gz PNBRSSWLHZURHX-AWEZNQCLSA-N 1 3 305.488 0.932 20 0 DCADHO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)CCCN1CCCC1)C2 ZINC000631953189 416829228 /nfs/dbraw/zinc/82/92/28/416829228.db2.gz FAOXFMXVUMTYMU-KBPBESRZSA-N 1 3 301.456 0.615 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000517918830 416829962 /nfs/dbraw/zinc/82/99/62/416829962.db2.gz UOAJVYRDFBNUHF-CQSZACIVSA-N 1 3 312.458 0.230 20 0 DCADHO CCN1CC[C@H](N(C)C(=O)c2cn(CCC[NH3+])nn2)C[C@@H]1C ZINC000565040743 416913306 /nfs/dbraw/zinc/91/33/06/416913306.db2.gz WBUZCTAANURJRB-STQMWFEESA-N 1 3 308.430 0.572 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1=O ZINC000519550880 416917267 /nfs/dbraw/zinc/91/72/67/416917267.db2.gz YWWWSHSDHAFWGF-BYNSBNAKSA-N 1 3 324.469 0.561 20 0 DCADHO COCCN(C)CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428697028 416919272 /nfs/dbraw/zinc/91/92/72/416919272.db2.gz XUJMVBYCNKOBND-UHFFFAOYSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000519592508 416921280 /nfs/dbraw/zinc/92/12/80/416921280.db2.gz JLHWZPNCYALNFX-BARDWOONSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970959 416930538 /nfs/dbraw/zinc/93/05/38/416930538.db2.gz GDZXSIIXCOBMKP-VXGBXAGGSA-N 1 3 305.430 0.788 20 0 DCADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970959 416930543 /nfs/dbraw/zinc/93/05/43/416930543.db2.gz GDZXSIIXCOBMKP-VXGBXAGGSA-N 1 3 305.430 0.788 20 0 DCADHO CN(C)C[C@H]1CCCCN1C(=O)c1cn(CCCC[NH3+])nn1 ZINC000565771907 417016912 /nfs/dbraw/zinc/01/69/12/417016912.db2.gz ABGCUYDZXMAMIO-CYBMUJFWSA-N 1 3 308.430 0.573 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000376055492 417017464 /nfs/dbraw/zinc/01/74/64/417017464.db2.gz QZVJHUFRRRSYKH-GOEBONIOSA-N 1 3 303.454 1.122 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000376055492 417017470 /nfs/dbraw/zinc/01/74/70/417017470.db2.gz QZVJHUFRRRSYKH-GOEBONIOSA-N 1 3 303.454 1.122 20 0 DCADHO CSc1ccc([C@@H](CNc2nc(N)nc(N)n2)[NH+](C)C)cc1 ZINC000624247618 416988085 /nfs/dbraw/zinc/98/80/85/416988085.db2.gz MYRGJWMZXPBIGR-LLVKDONJSA-N 1 3 319.438 0.555 20 0 DCADHO CCN1CCC[C@@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000565528759 416989224 /nfs/dbraw/zinc/98/92/24/416989224.db2.gz AUPHWPXOTHKWBE-CABCVRRESA-N 1 3 309.458 0.160 20 0 DCADHO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000447399313 416996828 /nfs/dbraw/zinc/99/68/28/416996828.db2.gz WWBUXUICJWFNNG-HRCADAONSA-N 1 3 300.443 0.817 20 0 DCADHO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000447399313 416996833 /nfs/dbraw/zinc/99/68/33/416996833.db2.gz WWBUXUICJWFNNG-HRCADAONSA-N 1 3 300.443 0.817 20 0 DCADHO Cn1cncc1CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000641798890 417000837 /nfs/dbraw/zinc/00/08/37/417000837.db2.gz PNIZNZIHRJHHDU-HOCLYGCPSA-N 1 3 319.453 0.543 20 0 DCADHO C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2)C[NH+](C)C ZINC000521359208 417006779 /nfs/dbraw/zinc/00/67/79/417006779.db2.gz BREPNQYKTMUEEX-LBPRGKRZSA-N 1 3 318.421 0.585 20 0 DCADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000641825825 417007937 /nfs/dbraw/zinc/00/79/37/417007937.db2.gz WYFBHHWNDFCIOO-OAHLLOKOSA-N 1 3 324.469 0.661 20 0 DCADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026521 417098570 /nfs/dbraw/zinc/09/85/70/417098570.db2.gz FSBMNEGVHTXSKJ-ZIAGYGMSSA-N 1 3 322.453 0.174 20 0 DCADHO COCCN(C)CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376765082 417038426 /nfs/dbraw/zinc/03/84/26/417038426.db2.gz GPCXNKVJFMPZFL-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642329780 417044939 /nfs/dbraw/zinc/04/49/39/417044939.db2.gz OVGLZXGHAPOHPI-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642329757 417045407 /nfs/dbraw/zinc/04/54/07/417045407.db2.gz DKVSZZADIYYHTA-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000642439339 417053238 /nfs/dbraw/zinc/05/32/38/417053238.db2.gz BTMFNDLXDWOFDU-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000642439684 417053332 /nfs/dbraw/zinc/05/33/32/417053332.db2.gz NKGJKHQQOWESIN-PBHICJAKSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000642439901 417056810 /nfs/dbraw/zinc/05/68/10/417056810.db2.gz RCUXFWRIDVKZCH-KGLIPLIRSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000430801612 417068409 /nfs/dbraw/zinc/06/84/09/417068409.db2.gz FDJNTTHOUQLQPK-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000430801612 417068418 /nfs/dbraw/zinc/06/84/18/417068418.db2.gz FDJNTTHOUQLQPK-JKSUJKDBSA-N 1 3 309.454 0.945 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642712998 417077251 /nfs/dbraw/zinc/07/72/51/417077251.db2.gz AWHUACGRVBXIJZ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000378490577 417079812 /nfs/dbraw/zinc/07/98/12/417079812.db2.gz DVGSMMJLQIWYNM-GJZGRUSLSA-N 1 3 312.458 0.690 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000378490577 417079819 /nfs/dbraw/zinc/07/98/19/417079819.db2.gz DVGSMMJLQIWYNM-GJZGRUSLSA-N 1 3 312.458 0.690 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000642724570 417081229 /nfs/dbraw/zinc/08/12/29/417081229.db2.gz YOANLDNNHUVOJH-OCCSQVGLSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000642731704 417084513 /nfs/dbraw/zinc/08/45/13/417084513.db2.gz OQFCYSZDPLPBOW-CABCVRRESA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000642732203 417085354 /nfs/dbraw/zinc/08/53/54/417085354.db2.gz ZNSVKXAVEBQZME-CYBMUJFWSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H]1CN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@H]1[NH3+] ZINC000430968204 417090199 /nfs/dbraw/zinc/09/01/99/417090199.db2.gz VWPQCDRQEKIOFP-SMDDNHRTSA-N 1 3 304.394 0.783 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642773392 417093270 /nfs/dbraw/zinc/09/32/70/417093270.db2.gz VOJQMOKRFZOPBA-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000642773301 417094262 /nfs/dbraw/zinc/09/42/62/417094262.db2.gz LAPGEPYKEKYJCM-YJNKXOJESA-N 1 3 322.453 0.173 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2CC)CC[C@@H]1[NH3+] ZINC000642773443 417094308 /nfs/dbraw/zinc/09/43/08/417094308.db2.gz ZVORGECDHCKLDH-ILXRZTDVSA-N 1 3 324.469 0.563 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1 ZINC000525882459 417158371 /nfs/dbraw/zinc/15/83/71/417158371.db2.gz FCHHVVROYBHKIA-UHFFFAOYSA-N 1 3 306.410 0.577 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000449642652 417159068 /nfs/dbraw/zinc/15/90/68/417159068.db2.gz GWEUKLTXQUXLRS-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000568749276 417169440 /nfs/dbraw/zinc/16/94/40/417169440.db2.gz HWXKLPXUACXKGN-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO CN(C)CCCS(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000632575665 417172656 /nfs/dbraw/zinc/17/26/56/417172656.db2.gz XAWNJVZEPAVRQP-UHFFFAOYSA-N 1 3 317.499 0.980 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000637799274 417187011 /nfs/dbraw/zinc/18/70/11/417187011.db2.gz LNZMGJJZVNJJBQ-SJORKVTESA-N 1 3 318.465 0.904 20 0 DCADHO CN(CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)CC(C)(C)C ZINC000637820263 417197522 /nfs/dbraw/zinc/19/75/22/417197522.db2.gz AYRFMUMCEWGSOM-ZDUSSCGKSA-N 1 3 312.458 0.278 20 0 DCADHO CCN(CC[NH3+])C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000626993448 417199222 /nfs/dbraw/zinc/19/92/22/417199222.db2.gz VLNAMDAOVOLXTA-UHFFFAOYSA-N 1 3 300.447 0.866 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000637834204 417201963 /nfs/dbraw/zinc/20/19/63/417201963.db2.gz AKBFCZMCHXNGEW-CVEARBPZSA-N 1 3 304.438 0.514 20 0 DCADHO CCN(CC[NH3+])C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000627011877 417207672 /nfs/dbraw/zinc/20/76/72/417207672.db2.gz LYQORFXKUSLTOA-INIZCTEOSA-N 1 3 320.437 0.743 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000643470319 417217458 /nfs/dbraw/zinc/21/74/58/417217458.db2.gz CXCIDQMWSPPZIH-CQSZACIVSA-N 1 3 322.453 0.332 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000569380593 417248696 /nfs/dbraw/zinc/24/86/96/417248696.db2.gz JPOPHBAKWMWESG-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC1CCN(CCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433388094 417263048 /nfs/dbraw/zinc/26/30/48/417263048.db2.gz TYNXVQDDPWNHDB-CQSZACIVSA-N 1 3 320.441 0.664 20 0 DCADHO COC[C@@]1(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCCCN1 ZINC000638153682 417357652 /nfs/dbraw/zinc/35/76/52/417357652.db2.gz ISYATOFDQVXTCG-MRXNPFEDSA-N 1 3 304.394 0.825 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000638051216 417300069 /nfs/dbraw/zinc/30/00/69/417300069.db2.gz YUTOFOOJZNYTDE-OAHLLOKOSA-N 1 3 306.454 0.902 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000638072268 417309601 /nfs/dbraw/zinc/30/96/01/417309601.db2.gz LSIWCHMUMIKFMH-JKSUJKDBSA-N 1 3 304.438 0.514 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000638072268 417309606 /nfs/dbraw/zinc/30/96/06/417309606.db2.gz LSIWCHMUMIKFMH-JKSUJKDBSA-N 1 3 304.438 0.514 20 0 DCADHO CN(C)C[C@@H](NC(=O)CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000638282068 417405645 /nfs/dbraw/zinc/40/56/45/417405645.db2.gz XQSNDYUTMASQDP-OAHLLOKOSA-N 1 3 324.856 0.964 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000633116190 417369111 /nfs/dbraw/zinc/36/91/11/417369111.db2.gz QBVMYDDLNWQZBO-RDBSUJKOSA-N 1 3 308.426 0.021 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030639 417374325 /nfs/dbraw/zinc/37/43/25/417374325.db2.gz YUKMPEWXUGQHCN-BBRMVZONSA-N 1 3 310.442 0.125 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030640 417374844 /nfs/dbraw/zinc/37/48/44/417374844.db2.gz YUKMPEWXUGQHCN-CJNGLKHVSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H](Cc1cnccn1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000638571256 417491468 /nfs/dbraw/zinc/49/14/68/417491468.db2.gz MPQUXLMCRLNPOR-KBPBESRZSA-N 1 3 305.426 0.585 20 0 DCADHO C[C@@H](Cc1cnccn1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000638571256 417491473 /nfs/dbraw/zinc/49/14/73/417491473.db2.gz MPQUXLMCRLNPOR-KBPBESRZSA-N 1 3 305.426 0.585 20 0 DCADHO O=C(CN1CCNCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000638410528 417446012 /nfs/dbraw/zinc/44/60/12/417446012.db2.gz FAMNBBLLVCERQM-HZPDHXFCSA-N 1 3 302.422 0.154 20 0 DCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526769 417481158 /nfs/dbraw/zinc/48/11/58/417481158.db2.gz PRCNNNDKHMZFLL-DOMZBBRYSA-N 1 3 318.421 0.915 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638526135 417482942 /nfs/dbraw/zinc/48/29/42/417482942.db2.gz FLKZKXXWWBRXMT-AWEZNQCLSA-N 1 3 316.405 0.964 20 0 DCADHO COC1(C(=O)Nc2ccc3c(c2)OCCNC3)CC[NH2+]CC1 ZINC000638669368 417529930 /nfs/dbraw/zinc/52/99/30/417529930.db2.gz RXXPDWURSAARBQ-UHFFFAOYSA-N 1 3 305.378 0.876 20 0 DCADHO CN1C[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1=O ZINC000634705308 417531727 /nfs/dbraw/zinc/53/17/27/417531727.db2.gz XRHATJCMPGBYSA-FUHWJXTLSA-N 1 3 317.433 0.834 20 0 DCADHO CN1C[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1=O ZINC000634705308 417531730 /nfs/dbraw/zinc/53/17/30/417531730.db2.gz XRHATJCMPGBYSA-FUHWJXTLSA-N 1 3 317.433 0.834 20 0 DCADHO CO[C@H](C[NH2+]CC1(O)CCN(C(C)C)CC1)[C@@H]1CCOC1 ZINC000638738444 417546716 /nfs/dbraw/zinc/54/67/16/417546716.db2.gz KVARWKOREPJOBB-HUUCEWRRSA-N 1 3 300.443 0.863 20 0 DCADHO N[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C1CCOCC1 ZINC000575300305 417525055 /nfs/dbraw/zinc/52/50/55/417525055.db2.gz LBIZDUOPFIJTOI-JOYOIKCWSA-N 1 3 310.423 0.652 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000576120343 417582674 /nfs/dbraw/zinc/58/26/74/417582674.db2.gz CNFZKUNVZRQOLR-RHSMWYFYSA-N 1 3 309.454 0.824 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000576120343 417582676 /nfs/dbraw/zinc/58/26/76/417582676.db2.gz CNFZKUNVZRQOLR-RHSMWYFYSA-N 1 3 309.454 0.824 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)CC(C)(C)C ZINC000530880291 417595699 /nfs/dbraw/zinc/59/56/99/417595699.db2.gz KKZZNFHVECNLEB-UHFFFAOYSA-N 1 3 314.474 0.491 20 0 DCADHO C[C@@H]1C[C@H](Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@@H+]1C ZINC000639042499 417610335 /nfs/dbraw/zinc/61/03/35/417610335.db2.gz FVNOMWDGRFVGJT-ZIAGYGMSSA-N 1 3 322.457 0.456 20 0 DCADHO C[C@@H]1C[C@H](Nc2cnn(CC(=O)NCCN(C)C)c2)CC[N@H+]1C ZINC000639042499 417610337 /nfs/dbraw/zinc/61/03/37/417610337.db2.gz FVNOMWDGRFVGJT-ZIAGYGMSSA-N 1 3 322.457 0.456 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000576626911 417622825 /nfs/dbraw/zinc/62/28/25/417622825.db2.gz SJUDWZYARLJYBX-LSDHHAIUSA-N 1 3 324.469 0.515 20 0 DCADHO O=C(CN[C@@H]1CCCNC(=O)C1)NCC[NH+]1CCCCCC1 ZINC000639206643 417639196 /nfs/dbraw/zinc/63/91/96/417639196.db2.gz UJAZTGAEEDQBKU-CQSZACIVSA-N 1 3 310.442 0.237 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCO1 ZINC000576822423 417640570 /nfs/dbraw/zinc/64/05/70/417640570.db2.gz UAEFETZJNGEZLM-CVEARBPZSA-N 1 3 318.421 0.480 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635543841 417694134 /nfs/dbraw/zinc/69/41/34/417694134.db2.gz XZPOITGBEHXSIQ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635543841 417694137 /nfs/dbraw/zinc/69/41/37/417694137.db2.gz XZPOITGBEHXSIQ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO [NH3+]CCCCn1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)nn1 ZINC000645634850 417769740 /nfs/dbraw/zinc/76/97/40/417769740.db2.gz FAYPCPUGGCOTNC-AWEZNQCLSA-N 1 3 320.441 0.717 20 0 DCADHO O=C(NC[C@H](O)CN1CCCCC1)C12CCC[NH+](CCC1)C2 ZINC000635709426 417744627 /nfs/dbraw/zinc/74/46/27/417744627.db2.gz FDNDHJYBYKFRCP-HNNXBMFYSA-N 1 3 309.454 0.825 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCN1 ZINC000646329626 417834803 /nfs/dbraw/zinc/83/48/03/417834803.db2.gz PODVAOMNOYSXEC-CHWSQXEVSA-N 1 3 306.414 0.273 20 0 DCADHO CCC1([NH+](C)C)CCN(C[C@@H](O)CN(C)CCOC)CC1 ZINC000640016252 417777570 /nfs/dbraw/zinc/77/75/70/417777570.db2.gz WIVMNMLSFVSOJQ-HNNXBMFYSA-N 1 3 301.475 0.732 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662684883 417852066 /nfs/dbraw/zinc/85/20/66/417852066.db2.gz KZJJVNOTWWORIF-ZDUSSCGKSA-N 1 3 320.441 0.616 20 0 DCADHO COCCN(C)CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662684529 417852508 /nfs/dbraw/zinc/85/25/08/417852508.db2.gz DOCMAXWVGZHOST-GFCCVEGCSA-N 1 3 311.348 0.613 20 0 DCADHO CN(C)CCn1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000631321934 417853890 /nfs/dbraw/zinc/85/38/90/417853890.db2.gz NJILMIIDJHKBEA-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO CN(C)CCn1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000631321934 417853895 /nfs/dbraw/zinc/85/38/95/417853895.db2.gz NJILMIIDJHKBEA-CQSZACIVSA-N 1 3 307.442 0.859 20 0 DCADHO COCCN1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662690572 417854995 /nfs/dbraw/zinc/85/49/95/417854995.db2.gz BGHAYNFKXUTTCT-CYBMUJFWSA-N 1 3 323.359 0.755 20 0 DCADHO CN1CCC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662699550 417857475 /nfs/dbraw/zinc/85/74/75/417857475.db2.gz CCFCVNSFWGZKJU-UONOGXRCSA-N 1 3 320.441 0.664 20 0 DCADHO CN(CCCC[NH+]1CCCCC1)C[C@H](O)CN1CCOCC1 ZINC000640532796 417865312 /nfs/dbraw/zinc/86/53/12/417865312.db2.gz WFGDKFXSEPJSFT-KRWDZBQOSA-N 1 3 313.486 0.877 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000652291794 417880046 /nfs/dbraw/zinc/88/00/46/417880046.db2.gz IDYSINNEHWTERS-OAHLLOKOSA-N 1 3 305.426 0.190 20 0 DCADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)C1 ZINC000662757941 417895622 /nfs/dbraw/zinc/89/56/22/417895622.db2.gz MXKNMYSFIGPDNT-OAHLLOKOSA-N 1 3 320.481 0.886 20 0 DCADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3(N)CC4(CCC4)C3)CC2)C1 ZINC000662757941 417895628 /nfs/dbraw/zinc/89/56/28/417895628.db2.gz MXKNMYSFIGPDNT-OAHLLOKOSA-N 1 3 320.481 0.886 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662795230 417906759 /nfs/dbraw/zinc/90/67/59/417906759.db2.gz XSDXCQZMXCHFDI-MXASKKJJSA-N 1 3 317.433 0.987 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002730 417844826 /nfs/dbraw/zinc/84/48/26/417844826.db2.gz APZFFRHWUZWXHF-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662674174 417845061 /nfs/dbraw/zinc/84/50/61/417845061.db2.gz ZHZGRUMQLAUVKV-HUUCEWRRSA-N 1 3 307.394 0.929 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C3([NH2+]C4CC4)CCC3)C2)nn1 ZINC000662812441 417912685 /nfs/dbraw/zinc/91/26/85/417912685.db2.gz CEBOIWMGQAVSJV-AWEZNQCLSA-N 1 3 318.425 0.575 20 0 DCADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CCC[NH2+]1 ZINC000662858220 417926983 /nfs/dbraw/zinc/92/69/83/417926983.db2.gz FIQSMOGEHKBSKB-HZPDHXFCSA-N 1 3 303.406 0.621 20 0 DCADHO CN(C(=O)c1ccc(CN)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900545 417944305 /nfs/dbraw/zinc/94/43/05/417944305.db2.gz NHNCVEBGHJVVIV-CQSZACIVSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1ccc(CN)o1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900545 417944308 /nfs/dbraw/zinc/94/43/08/417944308.db2.gz NHNCVEBGHJVVIV-CQSZACIVSA-N 1 3 320.437 0.979 20 0 DCADHO CN(C(=O)c1ccc(CN)o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900545 417944314 /nfs/dbraw/zinc/94/43/14/417944314.db2.gz NHNCVEBGHJVVIV-CQSZACIVSA-N 1 3 320.437 0.979 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000662909542 417948020 /nfs/dbraw/zinc/94/80/20/417948020.db2.gz FVUIKYSMFWEGDM-CQSZACIVSA-N 1 3 305.426 0.562 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000652704321 417951332 /nfs/dbraw/zinc/95/13/32/417951332.db2.gz JFZZSMUHGUDODW-KBPBESRZSA-N 1 3 310.442 0.174 20 0 DCADHO CN(CCC[NH3+])C(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000662929222 417953875 /nfs/dbraw/zinc/95/38/75/417953875.db2.gz BZWWQHHPLPYUEI-UHFFFAOYSA-N 1 3 310.442 0.271 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735789 417960986 /nfs/dbraw/zinc/96/09/86/417960986.db2.gz UBARMFSHQQSVBR-OKILXGFUSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)[NH+]1CCC(NC(=O)Cn2cc(CCN(C)C)nn2)CC1 ZINC000641048085 417965785 /nfs/dbraw/zinc/96/57/85/417965785.db2.gz VPVMATFPNJSNJD-UHFFFAOYSA-N 1 3 322.457 0.371 20 0 DCADHO Cc1nn(-c2ccncc2)cc1CN(C)CCN1CC[NH2+]CC1 ZINC000647492921 418015058 /nfs/dbraw/zinc/01/50/58/418015058.db2.gz IVPQDGAERYWPKC-UHFFFAOYSA-N 1 3 314.437 0.913 20 0 DCADHO C(c1nc2c(s1)CNCC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000663493513 418027234 /nfs/dbraw/zinc/02/72/34/418027234.db2.gz IOKOLDRPZDWFAA-LBPRGKRZSA-N 1 3 307.467 0.268 20 0 DCADHO CC(C)([NH3+])CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514521 418028365 /nfs/dbraw/zinc/02/83/65/418028365.db2.gz ZDRGMTNAGXXOEF-CYBMUJFWSA-N 1 3 306.458 0.736 20 0 DCADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653149059 418036952 /nfs/dbraw/zinc/03/69/52/418036952.db2.gz VEOWAVYLIRYHHY-MRXNPFEDSA-N 1 3 324.444 0.995 20 0 DCADHO CC1(OCC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CNC1 ZINC000653184842 418042125 /nfs/dbraw/zinc/04/21/25/418042125.db2.gz SQLBEKYQAWAXJQ-MJBXVCDLSA-N 1 3 311.426 0.110 20 0 DCADHO CCN1CCN(CCC(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000653223977 418045631 /nfs/dbraw/zinc/04/56/31/418045631.db2.gz FBBPDTWTEDNPMM-UHFFFAOYSA-N 1 3 322.428 0.928 20 0 DCADHO [NH3+]CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659511624 418108239 /nfs/dbraw/zinc/10/82/39/418108239.db2.gz YMOPXFOYQJJYPG-UHFFFAOYSA-N 1 3 305.426 0.942 20 0 DCADHO [NH3+]CCCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659513545 418109415 /nfs/dbraw/zinc/10/94/15/418109415.db2.gz WFZJPGQDGJNCRB-OAHLLOKOSA-N 1 3 306.410 0.401 20 0 DCADHO COCCNCCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659527826 418111401 /nfs/dbraw/zinc/11/14/01/418111401.db2.gz OBJWKXMPBHPGBZ-OAHLLOKOSA-N 1 3 312.458 0.644 20 0 DCADHO COCCNCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659529467 418113159 /nfs/dbraw/zinc/11/31/59/418113159.db2.gz YFGUYMULAKHHRH-CQSZACIVSA-N 1 3 312.458 0.929 20 0 DCADHO COCCNCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000659529467 418113163 /nfs/dbraw/zinc/11/31/63/418113163.db2.gz YFGUYMULAKHHRH-CQSZACIVSA-N 1 3 312.458 0.929 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000663775248 418056799 /nfs/dbraw/zinc/05/67/99/418056799.db2.gz FYHYWFJWXYOBPU-HUUCEWRRSA-N 1 3 312.458 0.833 20 0 DCADHO C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+](C)C ZINC000659094794 418057458 /nfs/dbraw/zinc/05/74/58/418057458.db2.gz QEGNOZPLMPCLKB-NSHDSACASA-N 1 3 304.394 0.685 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000659102607 418060576 /nfs/dbraw/zinc/06/05/76/418060576.db2.gz GOBNHNYZJQZAHQ-CQSZACIVSA-N 1 3 304.394 0.684 20 0 DCADHO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CCO1 ZINC000664127513 418089078 /nfs/dbraw/zinc/08/90/78/418089078.db2.gz HVQRKDIMVRELMT-GOEBONIOSA-N 1 3 324.469 0.975 20 0 DCADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CNc2ccnn2C1 ZINC000648034723 418090462 /nfs/dbraw/zinc/09/04/62/418090462.db2.gz CJYDOJHMSZSGPI-OAHLLOKOSA-N 1 3 320.485 0.883 20 0 DCADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CNc2ccnn2C1 ZINC000648034723 418090464 /nfs/dbraw/zinc/09/04/64/418090464.db2.gz CJYDOJHMSZSGPI-OAHLLOKOSA-N 1 3 320.485 0.883 20 0 DCADHO COCCN1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659443677 418098019 /nfs/dbraw/zinc/09/80/19/418098019.db2.gz ARQITPAFUWOPMW-CQSZACIVSA-N 1 3 300.447 0.770 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659459391 418100075 /nfs/dbraw/zinc/10/00/75/418100075.db2.gz CWOKHABLWKUWOM-CQSZACIVSA-N 1 3 313.490 0.639 20 0 DCADHO COC1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]CC1 ZINC000648139376 418105135 /nfs/dbraw/zinc/10/51/35/418105135.db2.gz DCLSAVRPVJCJQV-UHFFFAOYSA-N 1 3 305.378 0.876 20 0 DCADHO CN1CCN(CC2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000648150870 418106979 /nfs/dbraw/zinc/10/69/79/418106979.db2.gz MFYLZYMZECAYON-HNNXBMFYSA-N 1 3 308.470 0.470 20 0 DCADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCN1 ZINC000659607329 418124713 /nfs/dbraw/zinc/12/47/13/418124713.db2.gz AMCQQSKXDBEDQF-CQSZACIVSA-N 1 3 310.442 0.633 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631793 418133263 /nfs/dbraw/zinc/13/32/63/418133263.db2.gz GOOIVHIHRCPELG-LBPRGKRZSA-N 1 3 322.413 0.267 20 0 DCADHO CC[NH+]1CCC(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000654419427 418141839 /nfs/dbraw/zinc/14/18/39/418141839.db2.gz WQYVHLCGHTZHAV-LSDHHAIUSA-N 1 3 310.442 0.179 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659702916 418153588 /nfs/dbraw/zinc/15/35/88/418153588.db2.gz TVLHESHPUOIGPH-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659710112 418156357 /nfs/dbraw/zinc/15/63/57/418156357.db2.gz MNUZLRYFWLCNBI-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000659712510 418157491 /nfs/dbraw/zinc/15/74/91/418157491.db2.gz FVMAZWNUHLZWDZ-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO NC[C@H](NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000659718310 418160445 /nfs/dbraw/zinc/16/04/45/418160445.db2.gz OVOUZGHAUWWYGJ-HNNXBMFYSA-N 1 3 322.453 0.078 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659718926 418161194 /nfs/dbraw/zinc/16/11/94/418161194.db2.gz RTOSINXRQDTZEI-UKRRQHHQSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659718924 418161601 /nfs/dbraw/zinc/16/16/01/418161601.db2.gz RTOSINXRQDTZEI-DZGCQCFKSA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659741356 418171598 /nfs/dbraw/zinc/17/15/98/418171598.db2.gz KBVSHJMMAFBAQF-CQSZACIVSA-N 1 3 314.474 0.522 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000659739468 418171813 /nfs/dbraw/zinc/17/18/13/418171813.db2.gz VAYLERYMERFMSY-HZSPNIEDSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C1 ZINC000659739454 418171970 /nfs/dbraw/zinc/17/19/70/418171970.db2.gz USRLQNIHNXRFNC-MELADBBJSA-N 1 3 310.442 0.173 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000659739239 418172270 /nfs/dbraw/zinc/17/22/70/418172270.db2.gz OMFSVUWVKJBDGO-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665555739 418221218 /nfs/dbraw/zinc/22/12/18/418221218.db2.gz KOXBDXHXUQMWTR-CYBMUJFWSA-N 1 3 312.458 0.615 20 0 DCADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665555739 418221222 /nfs/dbraw/zinc/22/12/22/418221222.db2.gz KOXBDXHXUQMWTR-CYBMUJFWSA-N 1 3 312.458 0.615 20 0 DCADHO C[NH+](C)CCOc1ccc(CNC(=O)COC2(C)CNC2)cc1 ZINC000649288761 418223968 /nfs/dbraw/zinc/22/39/68/418223968.db2.gz HQHSPFOHQYDLSK-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCOCC1 ZINC000665639662 418228560 /nfs/dbraw/zinc/22/85/60/418228560.db2.gz ABDLZUSLTMRJMT-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCOCC1 ZINC000665639662 418228562 /nfs/dbraw/zinc/22/85/62/418228562.db2.gz ABDLZUSLTMRJMT-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)COC2(C)C[NH2+]C2)C[C@@H](C)O1 ZINC000649302351 418228774 /nfs/dbraw/zinc/22/87/74/418228774.db2.gz HWTVFXNEUVILCK-ZIAGYGMSSA-N 1 3 313.442 0.371 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(CCO)C1CC1 ZINC000665637963 418229400 /nfs/dbraw/zinc/22/94/00/418229400.db2.gz UVUTVPOCUYNEGS-ZDUSSCGKSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(CCO)C1CC1 ZINC000665637963 418229401 /nfs/dbraw/zinc/22/94/01/418229401.db2.gz UVUTVPOCUYNEGS-ZDUSSCGKSA-N 1 3 300.447 0.425 20 0 DCADHO CN1CCN(CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655698302 418288777 /nfs/dbraw/zinc/28/87/77/418288777.db2.gz UFVITZYDGPQFAM-SFHVURJKSA-N 1 3 324.513 0.857 20 0 DCADHO CN1CCCN(CCC[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655714468 418290367 /nfs/dbraw/zinc/29/03/67/418290367.db2.gz FAIMVSSZYLMEGB-SFHVURJKSA-N 1 3 324.513 0.857 20 0 DCADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(CCN(C)C)C(=O)C2)C1 ZINC000660911283 418304498 /nfs/dbraw/zinc/30/44/98/418304498.db2.gz BBLOKIDSMZRLQV-HZPDHXFCSA-N 1 3 310.486 0.670 20 0 DCADHO [NH3+][C@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655964037 418307937 /nfs/dbraw/zinc/30/79/37/418307937.db2.gz WUBAVQOCSVZZGQ-RRFJBIMHSA-N 1 3 304.394 0.147 20 0 DCADHO CC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656028993 418321545 /nfs/dbraw/zinc/32/15/45/418321545.db2.gz TUUTUEZQXBGVCG-UONOGXRCSA-N 1 3 322.453 0.459 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516346 418271840 /nfs/dbraw/zinc/27/18/40/418271840.db2.gz SWRJIBXLYYFKEI-APOZVJGGSA-N 1 3 309.332 0.525 20 0 DCADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(N)=O ZINC000656198215 418334875 /nfs/dbraw/zinc/33/48/75/418334875.db2.gz WVZATYQNUTYMKW-QWHCGFSZSA-N 1 3 307.394 0.919 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656282539 418339524 /nfs/dbraw/zinc/33/95/24/418339524.db2.gz NFEPCHIDTRZJRW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO [NH3+]C[C@@H](O)CCc1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656455256 418355793 /nfs/dbraw/zinc/35/57/93/418355793.db2.gz AYAKSFAKYVYREG-SJORKVTESA-N 1 3 315.421 0.977 20 0 DCADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661987462 418374296 /nfs/dbraw/zinc/37/42/96/418374296.db2.gz QVJLTPMYXGPCLD-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661987462 418374299 /nfs/dbraw/zinc/37/42/99/418374299.db2.gz QVJLTPMYXGPCLD-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C)[C@]1(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCSC1 ZINC000662489006 418412477 /nfs/dbraw/zinc/41/24/77/418412477.db2.gz CVNGTUPAKXWNRZ-ABAIWWIYSA-N 1 3 323.466 0.654 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](N3CCCC3)C2)C[C@@H](C)O1 ZINC000303976914 261173677 /nfs/dbraw/zinc/17/36/77/261173677.db2.gz CKWFPLQGUGKFLF-QBPKDAKJSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](N3CCCC3)C2)C[C@@H](C)O1 ZINC000303976914 261173680 /nfs/dbraw/zinc/17/36/80/261173680.db2.gz CKWFPLQGUGKFLF-QBPKDAKJSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H]1CN(CCN2CCCC2=O)CCN1C1CC[NH+](C)CC1 ZINC000355035726 261298570 /nfs/dbraw/zinc/29/85/70/261298570.db2.gz UWPZKEDYMINDPK-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000355282467 261325696 /nfs/dbraw/zinc/32/56/96/261325696.db2.gz RXIUCJHECQKKKL-MJBXVCDLSA-N 1 3 312.458 0.241 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000416970890 262242743 /nfs/dbraw/zinc/24/27/43/262242743.db2.gz BPNLLZNDPFPWAF-ZSHCYNCHSA-N 1 3 318.421 0.644 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417086948 262245398 /nfs/dbraw/zinc/24/53/98/262245398.db2.gz DPKTZFHTLVIHKG-RRFJBIMHSA-N 1 3 312.458 0.642 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000417094457 262245562 /nfs/dbraw/zinc/24/55/62/262245562.db2.gz QOGPYONRCAOBDA-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000417551180 262255051 /nfs/dbraw/zinc/25/50/51/262255051.db2.gz YREQCXTVOPCRED-GFCCVEGCSA-N 1 3 300.447 0.770 20 0 DCADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC(F)(F)CN)CC1 ZINC000417753094 262260406 /nfs/dbraw/zinc/26/04/06/262260406.db2.gz NYBADSZQHAJWEO-LBPRGKRZSA-N 1 3 321.416 0.153 20 0 DCADHO COCCCN(C)CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000417754569 262260560 /nfs/dbraw/zinc/26/05/60/262260560.db2.gz PVORQWPANXVUTM-SOUVJXGZSA-N 1 3 312.458 0.724 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000417813367 262262678 /nfs/dbraw/zinc/26/26/78/262262678.db2.gz GJMSLJKAVVDWOP-TZMCWYRMSA-N 1 3 300.472 0.817 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000417815208 262262764 /nfs/dbraw/zinc/26/27/64/262262764.db2.gz SPZBVDVOYIKDGV-HNNXBMFYSA-N 1 3 312.458 0.927 20 0 DCADHO C[NH2+]CCCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417941086 262266061 /nfs/dbraw/zinc/26/60/61/262266061.db2.gz AJTZSVQKTJOVOY-UHFFFAOYSA-N 1 3 309.414 0.431 20 0 DCADHO C[C@H]1CN(CCCNC(=O)NC2(C)CC[NH2+]CC2)CCCO1 ZINC000418110760 262270360 /nfs/dbraw/zinc/27/03/60/262270360.db2.gz FXYXBSPVISVVCT-AWEZNQCLSA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418161256 262271550 /nfs/dbraw/zinc/27/15/50/262271550.db2.gz DQEHRFLGBHNLIB-AWEZNQCLSA-N 1 3 313.490 0.829 20 0 DCADHO [NH3+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418310484 262274193 /nfs/dbraw/zinc/27/41/93/262274193.db2.gz YJCNOJCMYKZNGF-GJZGRUSLSA-N 1 3 306.410 0.127 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418408531 262276485 /nfs/dbraw/zinc/27/64/85/262276485.db2.gz UNZORLCNVISOPI-AWEZNQCLSA-N 1 3 311.474 0.439 20 0 DCADHO COCC[NH2+]CCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000418506942 262279654 /nfs/dbraw/zinc/27/96/54/262279654.db2.gz JSZQVIFIPWKHHP-RBSFLKMASA-N 1 3 312.458 0.594 20 0 DCADHO COCCNCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000418515101 262280337 /nfs/dbraw/zinc/28/03/37/262280337.db2.gz XPGDMGJGGYGWSJ-AWEZNQCLSA-N 1 3 312.458 0.642 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418543679 262282462 /nfs/dbraw/zinc/28/24/62/262282462.db2.gz PEOORIKBNMBUMH-OAHLLOKOSA-N 1 3 300.447 0.596 20 0 DCADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418588592 262283368 /nfs/dbraw/zinc/28/33/68/262283368.db2.gz HYXOOJFAQFRPEA-ZNMIVQPWSA-N 1 3 312.458 0.376 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000418598665 262283791 /nfs/dbraw/zinc/28/37/91/262283791.db2.gz IZOHILWTTZOAFW-QLFBSQMISA-N 1 3 312.458 0.879 20 0 DCADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000418682125 262286446 /nfs/dbraw/zinc/28/64/46/262286446.db2.gz ZMZNZLXOTDEVFS-FICVDOATSA-N 1 3 306.410 0.879 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@H]2CNCCO2)C2CC3CC(C2)CC1C3 ZINC000418776488 262289112 /nfs/dbraw/zinc/28/91/12/262289112.db2.gz XMOKCSRYAQPYEP-UWRLEFKFSA-N 1 3 322.453 0.428 20 0 DCADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000418826834 262291596 /nfs/dbraw/zinc/29/15/96/262291596.db2.gz CYTZHZQYQPDSSM-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000418829485 262292257 /nfs/dbraw/zinc/29/22/57/262292257.db2.gz GUMOFWXDGYELDI-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418922615 262298544 /nfs/dbraw/zinc/29/85/44/262298544.db2.gz DQNZZZOMRFTMOM-GBJTYRQASA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000418972584 262301188 /nfs/dbraw/zinc/30/11/88/262301188.db2.gz ZCAHUFTWKGOOOV-DZGCQCFKSA-N 1 3 318.421 0.101 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419071424 262306115 /nfs/dbraw/zinc/30/61/15/262306115.db2.gz ABIXKLUAVSKVRZ-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419095714 262308829 /nfs/dbraw/zinc/30/88/29/262308829.db2.gz BKJAPQXZFKAEMS-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419125686 262310768 /nfs/dbraw/zinc/31/07/68/262310768.db2.gz UKTYNJDFGBLDOC-KGLIPLIRSA-N 1 3 310.442 0.235 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419135106 262313254 /nfs/dbraw/zinc/31/32/54/262313254.db2.gz KKQVQJGCYYNJQZ-MCIONIFRSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCC(C)CC1 ZINC000419161520 262315105 /nfs/dbraw/zinc/31/51/05/262315105.db2.gz RVNNIJWVIARNRU-AWEZNQCLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419165527 262315629 /nfs/dbraw/zinc/31/56/29/262315629.db2.gz GNMFICDYMKOFHH-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000419165527 262315630 /nfs/dbraw/zinc/31/56/30/262315630.db2.gz GNMFICDYMKOFHH-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419165888 262315867 /nfs/dbraw/zinc/31/58/67/262315867.db2.gz GULCJFMHNCWNRU-ZIAGYGMSSA-N 1 3 312.458 0.611 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419232295 262320871 /nfs/dbraw/zinc/32/08/71/262320871.db2.gz UIKUGEHIHFKSNA-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C[C@@H]1[NH3+] ZINC000419229350 262321230 /nfs/dbraw/zinc/32/12/30/262321230.db2.gz OQHBXGUIJOYRLY-YUELXQCFSA-N 1 3 322.453 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000419232948 262321692 /nfs/dbraw/zinc/32/16/92/262321692.db2.gz GLXRQDVXQWWVDE-CYBMUJFWSA-N 1 3 312.458 0.419 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419235728 262322128 /nfs/dbraw/zinc/32/21/28/262322128.db2.gz ZHJIZEBOGDZDQQ-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000419236385 262322611 /nfs/dbraw/zinc/32/26/11/262322611.db2.gz KLLSESAHBSRAAM-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000419405871 262330223 /nfs/dbraw/zinc/33/02/23/262330223.db2.gz HZPXUMVZWOBSPU-INIZCTEOSA-N 1 3 310.442 0.032 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419404386 262330472 /nfs/dbraw/zinc/33/04/72/262330472.db2.gz GDVRPLUUMACHCR-KGLIPLIRSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419429467 262333396 /nfs/dbraw/zinc/33/33/96/262333396.db2.gz UUZZLTIIFDLRCG-XJKSGUPXSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419487071 262334395 /nfs/dbraw/zinc/33/43/95/262334395.db2.gz YMUKBAUDEWARDB-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000419487071 262334396 /nfs/dbraw/zinc/33/43/96/262334396.db2.gz YMUKBAUDEWARDB-UKRRQHHQSA-N 1 3 324.469 0.468 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419593624 262339402 /nfs/dbraw/zinc/33/94/02/262339402.db2.gz SYFKIGJEPCRXDW-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419595113 262339645 /nfs/dbraw/zinc/33/96/45/262339645.db2.gz VYZFXPYGHBPARF-UONOGXRCSA-N 1 3 312.458 0.467 20 0 DCADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000419650314 262344333 /nfs/dbraw/zinc/34/43/33/262344333.db2.gz UTZYCGOELJOERS-OAHLLOKOSA-N 1 3 318.421 0.233 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1CN ZINC000419648739 262344352 /nfs/dbraw/zinc/34/43/52/262344352.db2.gz MUFKSZGLDRTCFL-VNHYZAJKSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1CN ZINC000419648739 262344354 /nfs/dbraw/zinc/34/43/54/262344354.db2.gz MUFKSZGLDRTCFL-VNHYZAJKSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419693077 262345782 /nfs/dbraw/zinc/34/57/82/262345782.db2.gz IBCSFCMJDQKSRA-YDHLFZDLSA-N 1 3 322.453 0.376 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000419695682 262346428 /nfs/dbraw/zinc/34/64/28/262346428.db2.gz LIGSABLNNWTFND-RRFJBIMHSA-N 1 3 324.469 0.419 20 0 DCADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419698410 262346827 /nfs/dbraw/zinc/34/68/27/262346827.db2.gz SISIETUQTLWGGK-KGLIPLIRSA-N 1 3 322.453 0.378 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419700540 262347368 /nfs/dbraw/zinc/34/73/68/262347368.db2.gz XOSOBLWKJOJIDD-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419698557 262347786 /nfs/dbraw/zinc/34/77/86/262347786.db2.gz PUEDUBMIVCVQLH-KGLIPLIRSA-N 1 3 310.442 0.091 20 0 DCADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)C1CC1 ZINC000419879701 262351449 /nfs/dbraw/zinc/35/14/49/262351449.db2.gz ZSNCPWSISIAHPK-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419964466 262354473 /nfs/dbraw/zinc/35/44/73/262354473.db2.gz WFJDATJUUNOLIS-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCC1 ZINC000420072493 262359038 /nfs/dbraw/zinc/35/90/38/262359038.db2.gz MYSSLTBSJAAXQP-AWEZNQCLSA-N 1 3 324.469 0.563 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000420078078 262359700 /nfs/dbraw/zinc/35/97/00/262359700.db2.gz DQFVJZSJBRUCCW-UHFFFAOYSA-N 1 3 300.447 0.419 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000420152253 262364167 /nfs/dbraw/zinc/36/41/67/262364167.db2.gz ZENHCCRXWMDYCV-MCIONIFRSA-N 1 3 310.442 0.315 20 0 DCADHO CCNc1nc(NCC[C@@H]2CC[NH2+]C2)nc(NC(C)(C)C)n1 ZINC000420199889 262366962 /nfs/dbraw/zinc/36/69/62/262366962.db2.gz WZCYHRGACVXYOL-NSHDSACASA-N 1 3 307.446 0.769 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000420277716 262369001 /nfs/dbraw/zinc/36/90/01/262369001.db2.gz UKFPQGPLUFUQRR-HZPDHXFCSA-N 1 3 304.438 0.829 20 0 DCADHO COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420368479 262371948 /nfs/dbraw/zinc/37/19/48/262371948.db2.gz WZVCFEUUHJXMRF-PMPSAXMXSA-N 1 3 306.406 0.802 20 0 DCADHO COC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420368479 262371949 /nfs/dbraw/zinc/37/19/49/262371949.db2.gz WZVCFEUUHJXMRF-PMPSAXMXSA-N 1 3 306.406 0.802 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@H]1C[NH3+] ZINC000420399851 262373200 /nfs/dbraw/zinc/37/32/00/262373200.db2.gz IHZSUVVKNQCNLS-ZIAGYGMSSA-N 1 3 308.470 0.646 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423440907 262445729 /nfs/dbraw/zinc/44/57/29/262445729.db2.gz XSNDMUDJMRVENM-HZPDHXFCSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCOCCN(C)C ZINC000355355401 271005957 /nfs/dbraw/zinc/00/59/57/271005957.db2.gz SQIJYYIQDGZUKW-GJZGRUSLSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)[NH+](CCNC(=O)NC[C@]1(O)CCN(C)C1)C(C)C ZINC000358660251 271065275 /nfs/dbraw/zinc/06/52/75/271065275.db2.gz GDQKMTSAPJKVJI-OAHLLOKOSA-N 1 3 300.447 0.471 20 0 DCADHO CCN1CCC(NC(=O)CN2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000359036872 271093432 /nfs/dbraw/zinc/09/34/32/271093432.db2.gz FCZKBJUEUKNMJT-LSDHHAIUSA-N 1 3 312.458 0.025 20 0 DCADHO CCc1ccccc1[C@H](N)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000418302220 271242687 /nfs/dbraw/zinc/24/26/87/271242687.db2.gz LIYYFDWBWIRIPD-MRXNPFEDSA-N 1 3 319.453 0.453 20 0 DCADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H](C)[NH2+]C ZINC000418626236 271248705 /nfs/dbraw/zinc/24/87/05/271248705.db2.gz KVISQVQXEKQPMC-HNNXBMFYSA-N 1 3 313.490 0.653 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1 ZINC000418909557 271261953 /nfs/dbraw/zinc/26/19/53/271261953.db2.gz JKROLPKAPARBPX-OAHLLOKOSA-N 1 3 324.469 0.611 20 0 DCADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000418990978 271264563 /nfs/dbraw/zinc/26/45/63/271264563.db2.gz WVLWTDQSWJVBHT-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000418990978 271264565 /nfs/dbraw/zinc/26/45/65/271264565.db2.gz WVLWTDQSWJVBHT-ZIAGYGMSSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419026834 271266122 /nfs/dbraw/zinc/26/61/22/271266122.db2.gz OABMAQXCWHPSCV-ZIAGYGMSSA-N 1 3 322.453 0.259 20 0 DCADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419031340 271267992 /nfs/dbraw/zinc/26/79/92/271267992.db2.gz VEWFVZPEONJGQU-APIJFGDWSA-N 1 3 324.469 0.337 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419028879 271268416 /nfs/dbraw/zinc/26/84/16/271268416.db2.gz QUXCGNFHDABUJU-IHRRRGAJSA-N 1 3 312.458 0.195 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000419520971 271297203 /nfs/dbraw/zinc/29/72/03/271297203.db2.gz JEHVWYHRJHKREQ-OCCSQVGLSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000419581960 271310785 /nfs/dbraw/zinc/31/07/85/271310785.db2.gz IWKVROJCTOKWKO-DYEKYZERSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419704229 271323759 /nfs/dbraw/zinc/32/37/59/271323759.db2.gz XVSTWPALQYHJEN-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419903371 271341601 /nfs/dbraw/zinc/34/16/01/271341601.db2.gz AMWSSGCBQGOJLT-OAHLLOKOSA-N 1 3 320.437 0.603 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419908544 271343287 /nfs/dbraw/zinc/34/32/87/271343287.db2.gz YOVFKYNVJCIXBH-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419951423 271349293 /nfs/dbraw/zinc/34/92/93/271349293.db2.gz JJALLGPQVGPGMN-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419951423 271349296 /nfs/dbraw/zinc/34/92/96/271349296.db2.gz JJALLGPQVGPGMN-KGLIPLIRSA-N 1 3 312.458 0.276 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420014927 271351988 /nfs/dbraw/zinc/35/19/88/271351988.db2.gz LFGMIWMHVNFTCM-ZIAGYGMSSA-N 1 3 310.442 0.173 20 0 DCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000422780047 271385754 /nfs/dbraw/zinc/38/57/54/271385754.db2.gz GRGSJHHIOLDFIZ-QWHCGFSZSA-N 1 3 308.426 0.958 20 0 DCADHO NC[C@H]1CCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422824574 271387337 /nfs/dbraw/zinc/38/73/37/271387337.db2.gz HJEMRWKCSOPLNJ-HZPDHXFCSA-N 1 3 318.469 0.706 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000449318131 271850099 /nfs/dbraw/zinc/85/00/99/271850099.db2.gz FIKRLMFXBADWCS-KBPBESRZSA-N 1 3 320.441 0.492 20 0 DCADHO CC1CC[NH+](CCCNC(=O)NCCOCCN(C)C)CC1 ZINC000471657069 272028785 /nfs/dbraw/zinc/02/87/85/272028785.db2.gz VWWYHOPVZQUGSK-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@H](CNC(=O)/C=C\C[NH+](C)C)N(C)C(=O)/C=C/CN(C)C ZINC000491873434 272107854 /nfs/dbraw/zinc/10/78/54/272107854.db2.gz TWTIJNZJCBYTBQ-YDZIZOGVSA-N 1 3 310.442 0.185 20 0 DCADHO C[C@H](CNC(=O)/C=C\CN(C)C)N(C)C(=O)/C=C/C[NH+](C)C ZINC000491873434 272107857 /nfs/dbraw/zinc/10/78/57/272107857.db2.gz TWTIJNZJCBYTBQ-YDZIZOGVSA-N 1 3 310.442 0.185 20 0 DCADHO CN(C)C/C=C/C(=O)N1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000492090013 272115573 /nfs/dbraw/zinc/11/55/73/272115573.db2.gz QGJHZKDQFAXFCG-XVYDYJIPSA-N 1 3 322.453 0.283 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494739412 272229833 /nfs/dbraw/zinc/22/98/33/272229833.db2.gz XCXIGARHYSUIID-UKRRQHHQSA-N 1 3 320.437 0.836 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccncc1OCCN(C)C ZINC000494739412 272229836 /nfs/dbraw/zinc/22/98/36/272229836.db2.gz XCXIGARHYSUIID-UKRRQHHQSA-N 1 3 320.437 0.836 20 0 DCADHO CO[C@H]1CCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000538191315 287875835 /nfs/dbraw/zinc/87/58/35/287875835.db2.gz NLZVRKGEIKCOPU-GJZGRUSLSA-N 1 3 314.474 0.936 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342094425 276337251 /nfs/dbraw/zinc/33/72/51/276337251.db2.gz YKFYEUNWULPBHE-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000364852504 279511344 /nfs/dbraw/zinc/51/13/44/279511344.db2.gz VKUXURMDPUVNSD-HZPDHXFCSA-N 1 3 308.470 0.755 20 0 DCADHO CCN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000548704180 288168810 /nfs/dbraw/zinc/16/88/10/288168810.db2.gz GAMGUYVFKDUPEU-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCNC(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000548704180 288168813 /nfs/dbraw/zinc/16/88/13/288168813.db2.gz GAMGUYVFKDUPEU-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCOC2(CNC2)C1 ZINC000333160893 279826644 /nfs/dbraw/zinc/82/66/44/279826644.db2.gz GLGSMFZPZALFTN-UHFFFAOYSA-N 1 3 322.453 0.777 20 0 DCADHO COC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)[nH]1 ZINC000550327849 288215182 /nfs/dbraw/zinc/21/51/82/288215182.db2.gz JWEIYUIOONECNW-UHFFFAOYSA-N 1 3 310.398 0.367 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000262308171 280273894 /nfs/dbraw/zinc/27/38/94/280273894.db2.gz PKPGWQYHLMRFJU-ZFWWWQNUSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C)Cc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000564062957 288723311 /nfs/dbraw/zinc/72/33/11/288723311.db2.gz GCWWXAKOEFOQIX-MRXNPFEDSA-N 1 3 320.437 0.926 20 0 DCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564795215 288769094 /nfs/dbraw/zinc/76/90/94/288769094.db2.gz IOFSURQFLIIWAV-MELADBBJSA-N 1 3 310.442 0.077 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000410706367 289126591 /nfs/dbraw/zinc/12/65/91/289126591.db2.gz TWAJYCPVMHEJDG-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1=O ZINC000365311901 289156127 /nfs/dbraw/zinc/15/61/27/289156127.db2.gz YHDQAFUHJRPYCU-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000237435230 289776245 /nfs/dbraw/zinc/77/62/45/289776245.db2.gz RHBQDFDOXDTYDT-MJBXVCDLSA-N 1 3 310.442 0.125 20 0 DCADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CCC[C@@H]3CN)C2)CC1 ZINC000332219549 289894338 /nfs/dbraw/zinc/89/43/38/289894338.db2.gz XTXHMVFJACFJKA-LSDHHAIUSA-N 1 3 322.453 0.126 20 0 DCADHO Cn1nccc1[C@H]1[C@@H](NC2CC[NH+](C)CC2)CCC(=O)N1C ZINC000345002540 303094529 /nfs/dbraw/zinc/09/45/29/303094529.db2.gz VKRMDAVIXVWPRM-XJKSGUPXSA-N 1 3 305.426 0.766 20 0 DCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000331730180 303404237 /nfs/dbraw/zinc/40/42/37/303404237.db2.gz PKZNAUVOKWPUSP-KKUMJFAQSA-N 1 3 322.453 0.317 20 0 DCADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@H]1CC[NH2+]C1 ZINC000584362632 337101937 /nfs/dbraw/zinc/10/19/37/337101937.db2.gz MOJROYCLNLAXHZ-JKSUJKDBSA-N 1 3 318.421 0.414 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000582536723 337106496 /nfs/dbraw/zinc/10/64/96/337106496.db2.gz GCBRCRDQIWDJCT-CQSZACIVSA-N 1 3 306.410 0.213 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001579026481 1159271220 /nfs/dbraw/zinc/27/12/20/1159271220.db2.gz WMUCQZKXECGGHI-AWEZNQCLSA-N 1 3 300.447 0.596 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000418832334 527098669 /nfs/dbraw/zinc/09/86/69/527098669.db2.gz JZWRJCWMGGJQTG-KGLIPLIRSA-N 1 3 324.469 0.753 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000251578108 545974374 /nfs/dbraw/zinc/97/43/74/545974374.db2.gz NKTVAMREHULWRV-BFHYXJOUSA-N 1 3 303.472 0.717 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1CCC[NH2+][C@H]1C)CN1CCN(C)CC1 ZINC000333372947 546079661 /nfs/dbraw/zinc/07/96/61/546079661.db2.gz MSDRNPMOZVHENO-ILXRZTDVSA-N 1 3 311.474 0.310 20 0 DCADHO C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[NH+]1CCC(C)CC1 ZINC000333723443 546089865 /nfs/dbraw/zinc/08/98/65/546089865.db2.gz GWVFVIOBUNGTRT-AWEZNQCLSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333734258 546090409 /nfs/dbraw/zinc/09/04/09/546090409.db2.gz IEDRMTRYZYCHJZ-UONOGXRCSA-N 1 3 311.474 0.452 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000343003616 546128107 /nfs/dbraw/zinc/12/81/07/546128107.db2.gz CQRPGRAGKVZXGE-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662285287 546376147 /nfs/dbraw/zinc/37/61/47/546376147.db2.gz ITBWQERKRXWISC-GXFFZTMASA-N 1 3 321.343 0.508 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H]1C ZINC000665763821 546397745 /nfs/dbraw/zinc/39/77/45/546397745.db2.gz MVERQEMFRBUPBD-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H]1C ZINC000665763821 546397751 /nfs/dbraw/zinc/39/77/51/546397751.db2.gz MVERQEMFRBUPBD-KBPBESRZSA-N 1 3 300.447 0.689 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666975063 546537045 /nfs/dbraw/zinc/53/70/45/546537045.db2.gz GWLBMTLOZJIYEV-OAHLLOKOSA-N 1 3 312.458 0.833 20 0 DCADHO CCc1c[nH]c(=O)c(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000668302766 546724762 /nfs/dbraw/zinc/72/47/62/546724762.db2.gz PBLIXEBLYSOQAS-UHFFFAOYSA-N 1 3 308.426 0.915 20 0 DCADHO C[C@H]([NH3+])CNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000669462345 546973708 /nfs/dbraw/zinc/97/37/08/546973708.db2.gz AZLODKVLFPOBDT-ZDUSSCGKSA-N 1 3 308.426 0.816 20 0 DCADHO CC[C@@H]1CN(C(=O)NC[C@H]2CCCN2CCOC)CC[C@@H]1[NH3+] ZINC000669473253 546974289 /nfs/dbraw/zinc/97/42/89/546974289.db2.gz ZLZMXTSTUHVGKZ-KFWWJZLASA-N 1 3 312.458 0.866 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669491523 546979027 /nfs/dbraw/zinc/97/90/27/546979027.db2.gz OFINSIHNPPRMPG-MRXNPFEDSA-N 1 3 318.421 0.810 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000672594392 547384821 /nfs/dbraw/zinc/38/48/21/547384821.db2.gz YZJXGESLMAHBCX-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000672594392 547384825 /nfs/dbraw/zinc/38/48/25/547384825.db2.gz YZJXGESLMAHBCX-RRFJBIMHSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](C[C@H]1CCOC1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000675425683 547680372 /nfs/dbraw/zinc/68/03/72/547680372.db2.gz BUEKDIXXKFSOQB-LSDHHAIUSA-N 1 3 314.474 0.936 20 0 DCADHO C(CN1CCOCC1)N1CC[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000677242342 547858365 /nfs/dbraw/zinc/85/83/65/547858365.db2.gz XWNBYGHPCPCOHK-RCCFBDPRSA-N 1 3 322.497 0.609 20 0 DCADHO C(CN1CCOCC1)N1CC[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000677242342 547858366 /nfs/dbraw/zinc/85/83/66/547858366.db2.gz XWNBYGHPCPCOHK-RCCFBDPRSA-N 1 3 322.497 0.609 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678581618 547992568 /nfs/dbraw/zinc/99/25/68/547992568.db2.gz ZGFXMVQKELEJTM-KBPBESRZSA-N 1 3 301.456 0.628 20 0 DCADHO O=S1(=O)CCCN1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678581618 547992573 /nfs/dbraw/zinc/99/25/73/547992573.db2.gz ZGFXMVQKELEJTM-KBPBESRZSA-N 1 3 301.456 0.628 20 0 DCADHO CN(C)c1ccncc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000680579824 548159014 /nfs/dbraw/zinc/15/90/14/548159014.db2.gz GIHDUHRRPGJJRA-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO CN(C)c1ccncc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000680579824 548159017 /nfs/dbraw/zinc/15/90/17/548159017.db2.gz GIHDUHRRPGJJRA-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO CN(C)c1ccncc1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000680579824 548159023 /nfs/dbraw/zinc/15/90/23/548159023.db2.gz GIHDUHRRPGJJRA-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO CN(C)c1ccncc1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000680579824 548159026 /nfs/dbraw/zinc/15/90/26/548159026.db2.gz GIHDUHRRPGJJRA-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO C[C@H](NC(=O)NCCOCCN(C)C)C1CC[NH+](C)CC1 ZINC000682612607 548410045 /nfs/dbraw/zinc/41/00/45/548410045.db2.gz BHAJJQVYCUXEBN-ZDUSSCGKSA-N 1 3 300.447 0.594 20 0 DCADHO CCCN1CCC([NH2+]CCNS(=O)(=O)NC(C)C)CC1 ZINC000683230014 548459102 /nfs/dbraw/zinc/45/91/02/548459102.db2.gz OZESPGLFROCPJZ-UHFFFAOYSA-N 1 3 306.476 0.283 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)NCC23CCC[NH+]2CCC3)CC1=O ZINC000684850192 548654470 /nfs/dbraw/zinc/65/44/70/548654470.db2.gz VECXFIDKKWLZNA-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552818 660558753 /nfs/dbraw/zinc/55/87/53/660558753.db2.gz GCYCTVQPFIIRSJ-UAEIHBMGSA-N 1 3 319.449 0.552 20 0 DCADHO CC(C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552818 660558754 /nfs/dbraw/zinc/55/87/54/660558754.db2.gz GCYCTVQPFIIRSJ-UAEIHBMGSA-N 1 3 319.449 0.552 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980232524 660897327 /nfs/dbraw/zinc/89/73/27/660897327.db2.gz QAGXPVBPSVQVEQ-HZSPNIEDSA-N 1 3 306.410 0.470 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC000980232524 660897328 /nfs/dbraw/zinc/89/73/28/660897328.db2.gz QAGXPVBPSVQVEQ-HZSPNIEDSA-N 1 3 306.410 0.470 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccnn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000980704170 660987863 /nfs/dbraw/zinc/98/78/63/660987863.db2.gz LOBBCQGGQYGHTI-OLZOCXBDSA-N 1 3 316.409 0.713 20 0 DCADHO C[C@H]1C[C@H](C[NH2+]Cc2nccn2C)CN1C(=O)CN1CCCC1 ZINC000980802368 661014169 /nfs/dbraw/zinc/01/41/69/661014169.db2.gz YJTJSQOLBUWCAA-LSDHHAIUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cnn(C)c2)CN1C(=O)CN1CCCC1 ZINC000980799873 661015431 /nfs/dbraw/zinc/01/54/31/661015431.db2.gz NCUANQLTPGFQHF-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036377 661091177 /nfs/dbraw/zinc/09/11/77/661091177.db2.gz BWLRWXHPQPXGEJ-GWUWNPHMSA-N 1 3 323.437 0.077 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036377 661091180 /nfs/dbraw/zinc/09/11/80/661091180.db2.gz BWLRWXHPQPXGEJ-GWUWNPHMSA-N 1 3 323.437 0.077 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028036739 661092003 /nfs/dbraw/zinc/09/20/03/661092003.db2.gz GGPUGCGPWIQHIE-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028036739 661092004 /nfs/dbraw/zinc/09/20/04/661092004.db2.gz GGPUGCGPWIQHIE-DGNOSDGRSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCN(C[C@H](C)O)CC2)C1 ZINC000981323911 661134422 /nfs/dbraw/zinc/13/44/22/661134422.db2.gz ABUFEAWMMOHNNC-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCN(C[C@H](C)O)CC2)C1 ZINC000981323911 661134424 /nfs/dbraw/zinc/13/44/24/661134424.db2.gz ABUFEAWMMOHNNC-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO O=C(c1ccn(-c2ccncc2)n1)N1CCC[N@@H+](CCO)CC1 ZINC000981600228 661180150 /nfs/dbraw/zinc/18/01/50/661180150.db2.gz UMFDSORJKADHBZ-UHFFFAOYSA-N 1 3 315.377 0.408 20 0 DCADHO O=C(c1ccn(-c2ccncc2)n1)N1CCC[N@H+](CCO)CC1 ZINC000981600228 661180153 /nfs/dbraw/zinc/18/01/53/661180153.db2.gz UMFDSORJKADHBZ-UHFFFAOYSA-N 1 3 315.377 0.408 20 0 DCADHO CCN1CCO[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000925821895 661227327 /nfs/dbraw/zinc/22/73/27/661227327.db2.gz PBNWEFPDXGUTPZ-NPYXIHBLSA-N 1 3 311.470 0.939 20 0 DCADHO CCN1CCO[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000925821895 661227328 /nfs/dbraw/zinc/22/73/28/661227328.db2.gz PBNWEFPDXGUTPZ-NPYXIHBLSA-N 1 3 311.470 0.939 20 0 DCADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H]1CCCN1CCOC ZINC000891536015 657464658 /nfs/dbraw/zinc/46/46/58/657464658.db2.gz AEZIUBZWFIWMAY-HUUCEWRRSA-N 1 3 312.458 0.881 20 0 DCADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001023086521 657489030 /nfs/dbraw/zinc/48/90/30/657489030.db2.gz OETJCVQNZSHSLQ-MELADBBJSA-N 1 3 306.410 0.980 20 0 DCADHO Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001023086521 657489032 /nfs/dbraw/zinc/48/90/32/657489032.db2.gz OETJCVQNZSHSLQ-MELADBBJSA-N 1 3 306.410 0.980 20 0 DCADHO CN1CCN(CCCCNC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891580565 657498908 /nfs/dbraw/zinc/49/89/08/657498908.db2.gz XXUOPFXLCXWPJI-UHFFFAOYSA-N 1 3 323.485 0.679 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)C(N)=O ZINC000969152301 657509714 /nfs/dbraw/zinc/50/97/14/657509714.db2.gz LLUQHZVMAZISJS-QWHCGFSZSA-N 1 3 324.469 0.704 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)C(N)=O ZINC000969152301 657509715 /nfs/dbraw/zinc/50/97/15/657509715.db2.gz LLUQHZVMAZISJS-QWHCGFSZSA-N 1 3 324.469 0.704 20 0 DCADHO C[C@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CN1CCN(C)CC1 ZINC000891600355 657514145 /nfs/dbraw/zinc/51/41/45/657514145.db2.gz ARWLRCKVKBFZLR-HLLBOEOZSA-N 1 3 323.485 0.121 20 0 DCADHO C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])CN1CCN(C)CC1 ZINC000891600544 657514595 /nfs/dbraw/zinc/51/45/95/657514595.db2.gz CHMYRPLABWTBCV-HUUCEWRRSA-N 1 3 311.474 0.393 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001021380864 657704118 /nfs/dbraw/zinc/70/41/18/657704118.db2.gz YTBRYJIBOYDPQC-WZYMTQMTSA-N 1 3 309.454 0.965 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001021380864 657704126 /nfs/dbraw/zinc/70/41/26/657704126.db2.gz YTBRYJIBOYDPQC-WZYMTQMTSA-N 1 3 309.454 0.965 20 0 DCADHO CN1CCN(CCNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1(C)C ZINC000891881318 657870798 /nfs/dbraw/zinc/87/07/98/657870798.db2.gz VSIDUAJTTYFEAP-RHSMWYFYSA-N 1 3 323.485 0.596 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)CC[N@@H+]1C ZINC000998796393 665531651 /nfs/dbraw/zinc/53/16/51/665531651.db2.gz NEANSXRHKDAJCY-XZNOPERXSA-N 1 3 320.441 0.234 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)CC[N@H+]1C ZINC000998796393 665531654 /nfs/dbraw/zinc/53/16/54/665531654.db2.gz NEANSXRHKDAJCY-XZNOPERXSA-N 1 3 320.441 0.234 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccnn2C)C1 ZINC001020586610 658162372 /nfs/dbraw/zinc/16/23/72/658162372.db2.gz SWVWAFMTKMKOTB-MGPQQGTHSA-N 1 3 305.426 0.641 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCOCC3)C2)C1 ZINC001020590007 658168848 /nfs/dbraw/zinc/16/88/48/658168848.db2.gz JZHJKBFPXVJGDV-BPUTZDHNSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)ncn1 ZINC001020592777 658177904 /nfs/dbraw/zinc/17/79/04/658177904.db2.gz OGUXLBFOGFTCAW-PCBIJLKTSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1cc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)ncn1 ZINC001020592777 658177907 /nfs/dbraw/zinc/17/79/07/658177907.db2.gz OGUXLBFOGFTCAW-PCBIJLKTSA-N 1 3 317.437 0.720 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926363068 658232190 /nfs/dbraw/zinc/23/21/90/658232190.db2.gz QFKOIYXRCYERHP-KGLIPLIRSA-N 1 3 312.458 0.228 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001022710804 658347782 /nfs/dbraw/zinc/34/77/82/658347782.db2.gz NTUOBPSSCGYTKU-JFILPPLUSA-N 1 3 315.433 0.817 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020675676 658362025 /nfs/dbraw/zinc/36/20/25/658362025.db2.gz APTFNTNMPZQQRX-XDQVBPFNSA-N 1 3 310.442 0.360 20 0 DCADHO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)cn1 ZINC001022716658 658373597 /nfs/dbraw/zinc/37/35/97/658373597.db2.gz DGGRBFDXABALFE-GASCZTMLSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cn1 ZINC001022718209 658378505 /nfs/dbraw/zinc/37/85/05/658378505.db2.gz AIXXZYZNSHQHCL-DANNLKNASA-N 1 3 317.437 0.720 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cn1 ZINC001022718209 658378518 /nfs/dbraw/zinc/37/85/18/658378518.db2.gz AIXXZYZNSHQHCL-DANNLKNASA-N 1 3 317.437 0.720 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024176578 658505750 /nfs/dbraw/zinc/50/57/50/658505750.db2.gz CNTBLQAKEAWGIJ-ZDUSSCGKSA-N 1 3 316.409 0.714 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517854 665585172 /nfs/dbraw/zinc/58/51/72/665585172.db2.gz JTZGEHXXKNQHCQ-JONQDZQNSA-N 1 3 309.454 0.632 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517854 665585174 /nfs/dbraw/zinc/58/51/74/665585174.db2.gz JTZGEHXXKNQHCQ-JONQDZQNSA-N 1 3 309.454 0.632 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001021093090 658752049 /nfs/dbraw/zinc/75/20/49/658752049.db2.gz YXTTVSXZQNMRLF-RBSFLKMASA-N 1 3 320.441 0.389 20 0 DCADHO CCN1CCC([NH+]2CCC(C(=O)Nc3c[nH]nn3)CC2)CC1 ZINC000935598377 658786682 /nfs/dbraw/zinc/78/66/82/658786682.db2.gz YOPWKFOORVDWMT-UHFFFAOYSA-N 1 3 306.414 0.940 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000891514187 658898788 /nfs/dbraw/zinc/89/87/88/658898788.db2.gz NRSAHUGJMWNGEW-IOSBVQAASA-N 1 3 308.426 0.515 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001039165855 658900412 /nfs/dbraw/zinc/90/04/12/658900412.db2.gz TXIZMHHUQRCEIN-DOTOQJQBSA-N 1 3 323.481 0.881 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001039165855 658900418 /nfs/dbraw/zinc/90/04/18/658900418.db2.gz TXIZMHHUQRCEIN-DOTOQJQBSA-N 1 3 323.481 0.881 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC000999362621 665636509 /nfs/dbraw/zinc/63/65/09/665636509.db2.gz BFOOYEOXFRONQQ-HOCLYGCPSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1cnc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001027216891 659088642 /nfs/dbraw/zinc/08/86/42/659088642.db2.gz YVYWHOLTKNNXHV-LSDHHAIUSA-N 1 3 317.437 0.675 20 0 DCADHO Cc1cnc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001027216891 659088648 /nfs/dbraw/zinc/08/86/48/659088648.db2.gz YVYWHOLTKNNXHV-LSDHHAIUSA-N 1 3 317.437 0.675 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217201 659089451 /nfs/dbraw/zinc/08/94/51/659089451.db2.gz HECWYULGOBUPNJ-AWEZNQCLSA-N 1 3 305.426 0.454 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000973291706 659227952 /nfs/dbraw/zinc/22/79/52/659227952.db2.gz BHKPHCPASHROLU-XGUBFFRZSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000973291706 659227955 /nfs/dbraw/zinc/22/79/55/659227955.db2.gz BHKPHCPASHROLU-XGUBFFRZSA-N 1 3 322.453 0.043 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000925620742 659364816 /nfs/dbraw/zinc/36/48/16/659364816.db2.gz AGCWLGLVEFSKJO-ICIURTGMSA-N 1 3 301.456 0.198 20 0 DCADHO Cn1ccnc1CNC1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001026605302 659410916 /nfs/dbraw/zinc/41/09/16/659410916.db2.gz KQRXBPQXTFTEFX-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccnc1CNC1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026605302 659410920 /nfs/dbraw/zinc/41/09/20/659410920.db2.gz KQRXBPQXTFTEFX-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798859 659565996 /nfs/dbraw/zinc/56/59/96/659565996.db2.gz LQAAAKKJBKWGFI-OWYFMNJBSA-N 1 3 307.438 0.696 20 0 DCADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798859 659565999 /nfs/dbraw/zinc/56/59/99/659565999.db2.gz LQAAAKKJBKWGFI-OWYFMNJBSA-N 1 3 307.438 0.696 20 0 DCADHO COc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)ccn1 ZINC001019776051 659614200 /nfs/dbraw/zinc/61/42/00/659614200.db2.gz UDGAJSZHLRLOTH-HNNXBMFYSA-N 1 3 318.421 0.877 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001026884955 659623670 /nfs/dbraw/zinc/62/36/70/659623670.db2.gz DQDMQMQVBFDZJQ-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2nccn2C)C1)C1CCC1 ZINC001026891434 659625774 /nfs/dbraw/zinc/62/57/74/659625774.db2.gz UWQGHWDSYCTBEM-CQSZACIVSA-N 1 3 319.453 0.843 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001026886521 659627157 /nfs/dbraw/zinc/62/71/57/659627157.db2.gz ZHAXFYOYVKEREP-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccnn2C)C1)N(C)C ZINC001026901720 659631268 /nfs/dbraw/zinc/63/12/68/659631268.db2.gz SELNLWWVJOUHKO-HOCLYGCPSA-N 1 3 321.469 0.944 20 0 DCADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999831934 665695155 /nfs/dbraw/zinc/69/51/55/665695155.db2.gz OEMQANFMURLTFX-FHERZECASA-N 1 3 317.437 0.816 20 0 DCADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999831934 665695157 /nfs/dbraw/zinc/69/51/57/665695157.db2.gz OEMQANFMURLTFX-FHERZECASA-N 1 3 317.437 0.816 20 0 DCADHO Cn1ccc(CNC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001027036046 659725321 /nfs/dbraw/zinc/72/53/21/659725321.db2.gz QIDRFYXNOKDSRH-AWEZNQCLSA-N 1 3 319.453 0.700 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000974943141 659738084 /nfs/dbraw/zinc/73/80/84/659738084.db2.gz DQGDCOQOAWJLNQ-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)C1 ZINC000974943141 659738085 /nfs/dbraw/zinc/73/80/85/659738085.db2.gz DQGDCOQOAWJLNQ-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001027091431 659798287 /nfs/dbraw/zinc/79/82/87/659798287.db2.gz MMAIZRJNWDQJBB-KGLIPLIRSA-N 1 3 306.410 0.817 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999976200 665713722 /nfs/dbraw/zinc/71/37/22/665713722.db2.gz WHYPTHFAEJFXPA-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999976200 665713725 /nfs/dbraw/zinc/71/37/25/665713725.db2.gz WHYPTHFAEJFXPA-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO Cn1cc(CN[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001000079738 665736369 /nfs/dbraw/zinc/73/63/69/665736369.db2.gz BAGMBVSGMQBJKU-INIZCTEOSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CC[C@@H](N[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001000076107 665735771 /nfs/dbraw/zinc/73/57/71/665735771.db2.gz DBVZEFIJLGWBRK-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO CS(=O)(=O)C[C@@H](O)CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925861833 661349826 /nfs/dbraw/zinc/34/98/26/661349826.db2.gz UBWUCDDELMQRGW-KBPBESRZSA-N 1 3 300.424 0.462 20 0 DCADHO CS(=O)(=O)C[C@@H](O)CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925861835 661350083 /nfs/dbraw/zinc/35/00/83/661350083.db2.gz UBWUCDDELMQRGW-UONOGXRCSA-N 1 3 300.424 0.462 20 0 DCADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001000197584 665772948 /nfs/dbraw/zinc/77/29/48/665772948.db2.gz ITDKXGXANJYCBF-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCCCN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539198 665787174 /nfs/dbraw/zinc/78/71/74/665787174.db2.gz ZUYZVIXXYBNJRF-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CCCCN1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539198 665787176 /nfs/dbraw/zinc/78/71/76/665787176.db2.gz ZUYZVIXXYBNJRF-KRIMKBQASA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698415 661765698 /nfs/dbraw/zinc/76/56/98/661765698.db2.gz JFRFHXVVPFXBMU-UJEKJILKSA-N 1 3 307.438 0.698 20 0 DCADHO CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698415 661765700 /nfs/dbraw/zinc/76/57/00/661765700.db2.gz JFRFHXVVPFXBMU-UJEKJILKSA-N 1 3 307.438 0.698 20 0 DCADHO C[N@H+](CCO)CCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000925004298 661857821 /nfs/dbraw/zinc/85/78/21/661857821.db2.gz RNHHQGVZPMAQPC-UHFFFAOYSA-N 1 3 304.394 0.945 20 0 DCADHO C[N@@H+](CCO)CCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000925004298 661857823 /nfs/dbraw/zinc/85/78/23/661857823.db2.gz RNHHQGVZPMAQPC-UHFFFAOYSA-N 1 3 304.394 0.945 20 0 DCADHO Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001000312662 665821189 /nfs/dbraw/zinc/82/11/89/665821189.db2.gz OPZDMEDSJCSUFK-AWEZNQCLSA-N 1 3 316.409 0.509 20 0 DCADHO C[C@@H]([NH2+]CC[C@H](C)N(C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000895428470 662183681 /nfs/dbraw/zinc/18/36/81/662183681.db2.gz GXROFEBALYXTPC-QWHCGFSZSA-N 1 3 305.488 0.976 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984799281 662315673 /nfs/dbraw/zinc/31/56/73/662315673.db2.gz DXWXEOQUNDTUND-DZKIICNBSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H](CNCc2ccn(C)n2)C1 ZINC000984799281 662315678 /nfs/dbraw/zinc/31/56/78/662315678.db2.gz DXWXEOQUNDTUND-DZKIICNBSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985426158 662440168 /nfs/dbraw/zinc/44/01/68/662440168.db2.gz LZKVOXQATPBEIY-ZFWWWQNUSA-N 1 3 324.469 0.656 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC000985426158 662440169 /nfs/dbraw/zinc/44/01/69/662440169.db2.gz LZKVOXQATPBEIY-ZFWWWQNUSA-N 1 3 324.469 0.656 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713029 662503807 /nfs/dbraw/zinc/50/38/07/662503807.db2.gz MCDXGZOISDFZPD-AWEZNQCLSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000985713029 662503809 /nfs/dbraw/zinc/50/38/09/662503809.db2.gz MCDXGZOISDFZPD-AWEZNQCLSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001000592895 665881765 /nfs/dbraw/zinc/88/17/65/665881765.db2.gz GNEXQQCIRATZHK-DZGCQCFKSA-N 1 3 324.469 0.561 20 0 DCADHO C[C@@H]1[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN1CCCC1 ZINC000987515220 662683387 /nfs/dbraw/zinc/68/33/87/662683387.db2.gz ATJHCIYZIVTZTD-UKRRQHHQSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCC[N@H+](CCCCN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925283649 662788444 /nfs/dbraw/zinc/78/84/44/662788444.db2.gz SVMVXLCKBOWQSY-UONOGXRCSA-N 1 3 310.442 0.981 20 0 DCADHO C[C@H]1CCC[N@@H+](CCCCN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000925283649 662788446 /nfs/dbraw/zinc/78/84/46/662788446.db2.gz SVMVXLCKBOWQSY-UONOGXRCSA-N 1 3 310.442 0.981 20 0 DCADHO C[C@@H]1C[C@@H](NCCF)CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000988854965 662868101 /nfs/dbraw/zinc/86/81/01/662868101.db2.gz MKIDCHBHDLYOTN-CHWSQXEVSA-N 1 3 311.405 0.607 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)CN(C)C1CCC1 ZINC000988956222 662873414 /nfs/dbraw/zinc/87/34/14/662873414.db2.gz PEQLXTKIGLABRH-KGLIPLIRSA-N 1 3 320.441 0.341 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988963487 662874029 /nfs/dbraw/zinc/87/40/29/662874029.db2.gz XANPNUHJBYGPNJ-UKRRQHHQSA-N 1 3 319.453 0.983 20 0 DCADHO CCN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)[C@@H](C)C1 ZINC000897830788 662927999 /nfs/dbraw/zinc/92/79/99/662927999.db2.gz OEZJHDPGHTXYBN-KBPBESRZSA-N 1 3 303.472 0.732 20 0 DCADHO CN(CC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)C1CCC1 ZINC000898110663 662939313 /nfs/dbraw/zinc/93/93/13/662939313.db2.gz OIBHRWREQASVLV-UHFFFAOYSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)CC1 ZINC000989634363 662966691 /nfs/dbraw/zinc/96/66/91/662966691.db2.gz BSTVKZVLWXBAHX-OCCSQVGLSA-N 1 3 310.442 0.171 20 0 DCADHO Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000990244159 663022944 /nfs/dbraw/zinc/02/29/44/663022944.db2.gz KMNVWLUMGQWSPF-HNNXBMFYSA-N 1 3 305.426 0.595 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000990244538 663022949 /nfs/dbraw/zinc/02/29/49/663022949.db2.gz MZGDHLTVGNGIIN-HNNXBMFYSA-N 1 3 305.426 0.595 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000990278360 663028599 /nfs/dbraw/zinc/02/85/99/663028599.db2.gz QIKLFGCQELFZBA-INIZCTEOSA-N 1 3 319.453 0.637 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001030020718 663084595 /nfs/dbraw/zinc/08/45/95/663084595.db2.gz OOWZTIQBDTZSFY-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001030020718 663084597 /nfs/dbraw/zinc/08/45/97/663084597.db2.gz OOWZTIQBDTZSFY-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC000938193162 663153159 /nfs/dbraw/zinc/15/31/59/663153159.db2.gz MIKUBBZKXZFTFX-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000899732014 663186921 /nfs/dbraw/zinc/18/69/21/663186921.db2.gz CGELLKLBKVRCFB-MRXNPFEDSA-N 1 3 320.437 0.334 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000899732014 663186922 /nfs/dbraw/zinc/18/69/22/663186922.db2.gz CGELLKLBKVRCFB-MRXNPFEDSA-N 1 3 320.437 0.334 20 0 DCADHO CC1CCN(CCNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900203988 663225258 /nfs/dbraw/zinc/22/52/58/663225258.db2.gz IDAJYNCFQQEPPS-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CC1CC[NH+](CCNC(=O)c2ccnn2CCN(C)C)CC1 ZINC000900203988 663225259 /nfs/dbraw/zinc/22/52/59/663225259.db2.gz IDAJYNCFQQEPPS-UHFFFAOYSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000900240036 663227893 /nfs/dbraw/zinc/22/78/93/663227893.db2.gz JAIDZRDCQUUOFG-KBPBESRZSA-N 1 3 305.426 0.801 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000900240036 663227894 /nfs/dbraw/zinc/22/78/94/663227894.db2.gz JAIDZRDCQUUOFG-KBPBESRZSA-N 1 3 305.426 0.801 20 0 DCADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000926442 665964428 /nfs/dbraw/zinc/96/44/28/665964428.db2.gz JRZOKZBAZSNMOB-JKSUJKDBSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000926442 665964430 /nfs/dbraw/zinc/96/44/30/665964430.db2.gz JRZOKZBAZSNMOB-JKSUJKDBSA-N 1 3 317.437 0.817 20 0 DCADHO CCOC(=O)CNC(=O)C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903457074 663455771 /nfs/dbraw/zinc/45/57/71/663455771.db2.gz MLRHXQNNNQLNEQ-OCCSQVGLSA-N 1 3 311.426 0.233 20 0 DCADHO O=S(=O)(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CNC1 ZINC000903572152 663467106 /nfs/dbraw/zinc/46/71/06/663467106.db2.gz XEXBRPXVCXERKD-UKRRQHHQSA-N 1 3 323.418 0.134 20 0 DCADHO COCC(C)(C)N1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903762815 663480323 /nfs/dbraw/zinc/48/03/23/663480323.db2.gz DRXODSVEKUFSOD-DOTOQJQBSA-N 1 3 311.470 0.798 20 0 DCADHO CNC(=O)NC[C@H]1CCCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903777693 663483832 /nfs/dbraw/zinc/48/38/32/663483832.db2.gz CKRQFACSBXJRGT-CABCVRRESA-N 1 3 324.469 0.929 20 0 DCADHO Cc1c(C[C@H](C[NH3+])CN(C)[C@H](C)CN2CCOCC2)cnn1C ZINC000903909632 663494735 /nfs/dbraw/zinc/49/47/35/663494735.db2.gz GWUAEQYVCQFUPI-GDBMZVCRSA-N 1 3 323.485 0.498 20 0 DCADHO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000903939624 663497943 /nfs/dbraw/zinc/49/79/43/663497943.db2.gz KNMOSLVKFWPLNK-ZQIUZPCESA-N 1 3 323.437 0.459 20 0 DCADHO COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000903939624 663497944 /nfs/dbraw/zinc/49/79/44/663497944.db2.gz KNMOSLVKFWPLNK-ZQIUZPCESA-N 1 3 323.437 0.459 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904969206 663521006 /nfs/dbraw/zinc/52/10/06/663521006.db2.gz BCWCDBUYRCAYFS-YOEHRIQHSA-N 1 3 322.453 0.271 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905006855 663523270 /nfs/dbraw/zinc/52/32/70/663523270.db2.gz FOMRCVQEKXQJGP-YOEHRIQHSA-N 1 3 322.453 0.271 20 0 DCADHO CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905343143 663551496 /nfs/dbraw/zinc/55/14/96/663551496.db2.gz NWKBFBWBWWXENT-GJZGRUSLSA-N 1 3 315.483 0.732 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000906719710 663634919 /nfs/dbraw/zinc/63/49/19/663634919.db2.gz LXTFLLLJZMRXLP-RRFJBIMHSA-N 1 3 316.405 0.696 20 0 DCADHO CN(C)CCn1nccc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908442175 663755622 /nfs/dbraw/zinc/75/56/22/663755622.db2.gz IVJSZJKHZKOPFC-HNNXBMFYSA-N 1 3 309.414 0.230 20 0 DCADHO CN(C)CCn1nccc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908442175 663755623 /nfs/dbraw/zinc/75/56/23/663755623.db2.gz IVJSZJKHZKOPFC-HNNXBMFYSA-N 1 3 309.414 0.230 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC(=O)NCCN2CCCCC2)CC[N@@H+]1C ZINC000909315498 663794889 /nfs/dbraw/zinc/79/48/89/663794889.db2.gz LAZYZEXYLWQGGV-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCC(=O)NCCN2CCCCC2)CC[N@H+]1C ZINC000909315498 663794890 /nfs/dbraw/zinc/79/48/90/663794890.db2.gz LAZYZEXYLWQGGV-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)N1CCCCC1 ZINC000910961413 663959258 /nfs/dbraw/zinc/95/92/58/663959258.db2.gz ZVHAOVIEKNODKY-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CCCCC1 ZINC000910946831 663961563 /nfs/dbraw/zinc/96/15/63/663961563.db2.gz QAWKIGWSGJXRJP-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)N1CCCCC1 ZINC000910947203 663961619 /nfs/dbraw/zinc/96/16/19/663961619.db2.gz VLTJXDWISXPRCA-CABCVRRESA-N 1 3 324.469 0.625 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911160337 663994965 /nfs/dbraw/zinc/99/49/65/663994965.db2.gz BMEKELAQFSZQOS-LSDHHAIUSA-N 1 3 324.469 0.625 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911160531 663995485 /nfs/dbraw/zinc/99/54/85/663995485.db2.gz DQTCIUDVMNUNJI-YOEHRIQHSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000911162132 663995798 /nfs/dbraw/zinc/99/57/98/663995798.db2.gz PNXPZMRBFKWZCB-RRFJBIMHSA-N 1 3 324.469 0.196 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000911488183 664064203 /nfs/dbraw/zinc/06/42/03/664064203.db2.gz IQRZVEMNLPYYAI-FRRDWIJNSA-N 1 3 310.442 0.219 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000911529296 664068633 /nfs/dbraw/zinc/06/86/33/664068633.db2.gz CJDPWZUFXDNKDL-CXAGYDPISA-N 1 3 322.453 0.174 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)NCCN1CCC(C)(C)C1)C(C)C ZINC000911529623 664068767 /nfs/dbraw/zinc/06/87/67/664068767.db2.gz DWTZDNPXYGYUBH-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911534330 664070668 /nfs/dbraw/zinc/07/06/68/664070668.db2.gz UQUUVLUUTGPQFS-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000911534696 664071133 /nfs/dbraw/zinc/07/11/33/664071133.db2.gz WLRWDDMVYCLZCE-CYBMUJFWSA-N 1 3 310.442 0.032 20 0 DCADHO O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000911555218 664078133 /nfs/dbraw/zinc/07/81/33/664078133.db2.gz GFQNIHQGISOBGI-GJZGRUSLSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911542199 664081924 /nfs/dbraw/zinc/08/19/24/664081924.db2.gz MKSUFQCNHSMYCC-BFHYXJOUSA-N 1 3 310.442 0.042 20 0 DCADHO CN(C)CCn1nccc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000911580899 664086028 /nfs/dbraw/zinc/08/60/28/664086028.db2.gz UTPOTUMZMPSGHH-KGLIPLIRSA-N 1 3 307.442 0.903 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)C1 ZINC000911657694 664099057 /nfs/dbraw/zinc/09/90/57/664099057.db2.gz XVDVWIREQXXRKZ-CHWSQXEVSA-N 1 3 302.378 0.333 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NC[C@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000911705676 664103863 /nfs/dbraw/zinc/10/38/63/664103863.db2.gz AHPSPBCHEMAELT-FZMZJTMJSA-N 1 3 316.405 0.628 20 0 DCADHO CN1CCC(N(CCO)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000911945257 664124552 /nfs/dbraw/zinc/12/45/52/664124552.db2.gz HEUIZTISXYGLJP-GDBMZVCRSA-N 1 3 309.454 0.918 20 0 DCADHO CN1CCC(N(CCO)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000911945257 664124553 /nfs/dbraw/zinc/12/45/53/664124553.db2.gz HEUIZTISXYGLJP-GDBMZVCRSA-N 1 3 309.454 0.918 20 0 DCADHO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000913676495 664711740 /nfs/dbraw/zinc/71/17/40/664711740.db2.gz ZFNVGHYHPLNCSX-HNNXBMFYSA-N 1 3 309.454 0.918 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000915153082 664867621 /nfs/dbraw/zinc/86/76/21/664867621.db2.gz LYUOGZMFWJUFQT-UKRRQHHQSA-N 1 3 312.458 0.879 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000993810412 665005143 /nfs/dbraw/zinc/00/51/43/665005143.db2.gz WUVZUVUMUBXVAX-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000993810412 665005144 /nfs/dbraw/zinc/00/51/44/665005144.db2.gz WUVZUVUMUBXVAX-HUUCEWRRSA-N 1 3 322.453 0.282 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000993816547 665006178 /nfs/dbraw/zinc/00/61/78/665006178.db2.gz LFHGQWGLJOWUFU-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993816547 665006180 /nfs/dbraw/zinc/00/61/80/665006180.db2.gz LFHGQWGLJOWUFU-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000993870752 665015650 /nfs/dbraw/zinc/01/56/50/665015650.db2.gz PHTFSHOMQVLCOA-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000993870752 665015653 /nfs/dbraw/zinc/01/56/53/665015653.db2.gz PHTFSHOMQVLCOA-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730326 665360582 /nfs/dbraw/zinc/36/05/82/665360582.db2.gz KCXMHYDRSUVCBG-CJNGLKHVSA-N 1 3 309.454 0.822 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730326 665360583 /nfs/dbraw/zinc/36/05/83/665360583.db2.gz KCXMHYDRSUVCBG-CJNGLKHVSA-N 1 3 309.454 0.822 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000941677886 666039781 /nfs/dbraw/zinc/03/97/81/666039781.db2.gz QKDHJFGBAMGTDO-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000941677886 666039783 /nfs/dbraw/zinc/03/97/83/666039783.db2.gz QKDHJFGBAMGTDO-ZNMIVQPWSA-N 1 3 324.469 0.386 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000944031108 666378813 /nfs/dbraw/zinc/37/88/13/666378813.db2.gz RIYIGWMSKBFUIF-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000944031108 666378814 /nfs/dbraw/zinc/37/88/14/666378814.db2.gz RIYIGWMSKBFUIF-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H](O)C3CCCCC3)C2)C1 ZINC001032186780 666392557 /nfs/dbraw/zinc/39/25/57/666392557.db2.gz WSFVEXPFZZJUDV-IAGOWNOFSA-N 1 3 323.481 0.927 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H](O)C3CCCCC3)C2)C1 ZINC001032186780 666392558 /nfs/dbraw/zinc/39/25/58/666392558.db2.gz WSFVEXPFZZJUDV-IAGOWNOFSA-N 1 3 323.481 0.927 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC[N@@H+]1C ZINC000995838222 666712749 /nfs/dbraw/zinc/71/27/49/666712749.db2.gz HYJPVMBAVLGOIF-XQQFMLRXSA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC[N@H+]1C ZINC000995838222 666712752 /nfs/dbraw/zinc/71/27/52/666712752.db2.gz HYJPVMBAVLGOIF-XQQFMLRXSA-N 1 3 310.442 0.029 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(CCO)C1 ZINC001033856158 666847290 /nfs/dbraw/zinc/84/72/90/666847290.db2.gz RRYBLLRBPVAOKS-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(CCO)C1 ZINC001033856158 666847292 /nfs/dbraw/zinc/84/72/92/666847292.db2.gz RRYBLLRBPVAOKS-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC000996666529 666851401 /nfs/dbraw/zinc/85/14/01/666851401.db2.gz SWAKEPVAOYRECM-AWEZNQCLSA-N 1 3 310.442 0.315 20 0 DCADHO O=C(N[C@H]1CCCCN(CCO)C1)C12CCC[NH+](CCC1)C2 ZINC001034257534 666967176 /nfs/dbraw/zinc/96/71/76/666967176.db2.gz KLBAXXVZIXYHNL-HNNXBMFYSA-N 1 3 309.454 0.825 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000996993220 667059685 /nfs/dbraw/zinc/05/96/85/667059685.db2.gz BVRGMJFZMSJMMS-DZGCQCFKSA-N 1 3 322.453 0.330 20 0 DCADHO C[NH+]1CCC([C@@H]2CCN([C@H]3CC(=O)N(CCCO)C3=O)C2)CC1 ZINC000840741819 667097851 /nfs/dbraw/zinc/09/78/51/667097851.db2.gz ZTYMVCFKTAUPEQ-CABCVRRESA-N 1 3 323.437 0.160 20 0 DCADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001034734815 667128168 /nfs/dbraw/zinc/12/81/68/667128168.db2.gz ZYTCIKBJANFWTP-XJFOESAGSA-N 1 3 310.442 0.219 20 0 DCADHO C[NH2+]C1(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)CCC1 ZINC000863921857 667194022 /nfs/dbraw/zinc/19/40/22/667194022.db2.gz NCZILRXZLPNOGB-CABCVRRESA-N 1 3 319.453 0.714 20 0 DCADHO CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034998686 667211410 /nfs/dbraw/zinc/21/14/10/667211410.db2.gz NMFMHYKMBOJVNY-GYMHETDLSA-N 1 3 307.438 0.839 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001035036694 667222588 /nfs/dbraw/zinc/22/25/88/667222588.db2.gz QMZNMDFULYIIHF-OAHLLOKOSA-N 1 3 319.453 0.843 20 0 DCADHO CN1CC[C@H](NC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001035040061 667223292 /nfs/dbraw/zinc/22/32/92/667223292.db2.gz UTBHJXQTPVWYGQ-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CN1CC[C@@H](NC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)C1=O ZINC001035040066 667223300 /nfs/dbraw/zinc/22/33/00/667223300.db2.gz UTBHJXQTPVWYGQ-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001035125533 667252163 /nfs/dbraw/zinc/25/21/63/667252163.db2.gz JDERFQRBKORNQD-HZPDHXFCSA-N 1 3 317.437 0.817 20 0 DCADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001035125533 667252166 /nfs/dbraw/zinc/25/21/66/667252166.db2.gz JDERFQRBKORNQD-HZPDHXFCSA-N 1 3 317.437 0.817 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001035131382 667253890 /nfs/dbraw/zinc/25/38/90/667253890.db2.gz IWXSQBLWTQYKKX-CABCVRRESA-N 1 3 322.453 0.332 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997367644 667261240 /nfs/dbraw/zinc/26/12/40/667261240.db2.gz LJNXNZGUWHLKDX-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035228456 667272943 /nfs/dbraw/zinc/27/29/43/667272943.db2.gz PWWDIGVQSFUVSL-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035228456 667272945 /nfs/dbraw/zinc/27/29/45/667272945.db2.gz PWWDIGVQSFUVSL-HNNXBMFYSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)CC[C@H]1[NH2+]Cc1cnns1 ZINC001036293035 667434553 /nfs/dbraw/zinc/43/45/53/667434553.db2.gz FKEGMZCNOZQELY-TZMCWYRMSA-N 1 3 323.466 0.961 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC[C@H]1C ZINC000923199017 667474538 /nfs/dbraw/zinc/47/45/38/667474538.db2.gz LTHKDLVLNVTNPV-RDBSUJKOSA-N 1 3 300.447 0.593 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC[C@H]1C ZINC000923199017 667474540 /nfs/dbraw/zinc/47/45/40/667474540.db2.gz LTHKDLVLNVTNPV-RDBSUJKOSA-N 1 3 300.447 0.593 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@@H](O)COc1ccc(F)cc1 ZINC000923285597 667495085 /nfs/dbraw/zinc/49/50/85/667495085.db2.gz ICOPRLJPJRSFID-OAHLLOKOSA-N 1 3 311.401 0.402 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@H](O)COc1ccc(F)cc1 ZINC000923285596 667495138 /nfs/dbraw/zinc/49/51/38/667495138.db2.gz ICOPRLJPJRSFID-HNNXBMFYSA-N 1 3 311.401 0.402 20 0 DCADHO COCC[C@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000884211400 667499721 /nfs/dbraw/zinc/49/97/21/667499721.db2.gz CIRHWSUXCQZPAG-HNNXBMFYSA-N 1 3 309.410 0.954 20 0 DCADHO CNC(=O)c1nnc(C2CCN(CCC[NH2+]C3CC3)CC2)[nH]1 ZINC000923416660 667527607 /nfs/dbraw/zinc/52/76/07/667527607.db2.gz OJLVTUITFHPNPA-UHFFFAOYSA-N 1 3 306.414 0.486 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868159957 667538495 /nfs/dbraw/zinc/53/84/95/667538495.db2.gz AOARIDWVUPQUDL-STQMWFEESA-N 1 3 306.414 0.803 20 0 DCADHO Cc1cc(=O)n2nc(CN3CC[C@@H](C[NH3+])[C@@H](C)C3)sc2n1 ZINC000923497784 667548617 /nfs/dbraw/zinc/54/86/17/667548617.db2.gz DVNPTJZJERTPIT-ONGXEEELSA-N 1 3 307.423 0.876 20 0 DCADHO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)C1CNC1 ZINC000923589327 667573206 /nfs/dbraw/zinc/57/32/06/667573206.db2.gz FOPZQSWHOLSECL-UHFFFAOYSA-N 1 3 311.451 0.918 20 0 DCADHO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)C1CNC1 ZINC000923589327 667573209 /nfs/dbraw/zinc/57/32/09/667573209.db2.gz FOPZQSWHOLSECL-UHFFFAOYSA-N 1 3 311.451 0.918 20 0 DCADHO O=S(=O)(NC1CC[NH+](CCc2ccccc2)CC1)C1CNC1 ZINC000923586091 667575375 /nfs/dbraw/zinc/57/53/75/667575375.db2.gz AOCGCTYQADNYSR-UHFFFAOYSA-N 1 3 323.462 0.585 20 0 DCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884716588 667597891 /nfs/dbraw/zinc/59/78/91/667597891.db2.gz CKHISZIDRXXRCR-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000884787454 667607190 /nfs/dbraw/zinc/60/71/90/667607190.db2.gz SHHRFTXAYQNQRR-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N1CCC[C@@H](C)C1 ZINC000885203560 667652428 /nfs/dbraw/zinc/65/24/28/667652428.db2.gz VERSEHNBUVLSFA-OLZOCXBDSA-N 1 3 312.458 0.467 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870881763 667769586 /nfs/dbraw/zinc/76/95/86/667769586.db2.gz KYBALSHKUCUIQY-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CC(C)[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)N1CCN(C)CC1 ZINC000870896050 667771373 /nfs/dbraw/zinc/77/13/73/667771373.db2.gz FGZQAFGFMBPIFM-PQUAAJSLSA-N 1 3 322.497 0.907 20 0 DCADHO CN1CCN(C(=O)CCN2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000886874654 667812392 /nfs/dbraw/zinc/81/23/92/667812392.db2.gz SOWSDIHJHYJVIL-QGZVFWFLSA-N 1 3 308.470 0.616 20 0 DCADHO CC1(C)CO[C@@H](CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872146320 667867819 /nfs/dbraw/zinc/86/78/19/667867819.db2.gz LDWTZSHEOKFDSO-SYQHCUMBSA-N 1 3 309.410 0.668 20 0 DCADHO CC(=O)N[C@@H]1CCCN(C(=O)CN(C)CCCCCC[NH3+])C1 ZINC000872155299 667870455 /nfs/dbraw/zinc/87/04/55/667870455.db2.gz GXIJUXAPONVBPM-OAHLLOKOSA-N 1 3 312.458 0.564 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCCCCNC(=O)CC2)C1 ZINC000873215901 668066136 /nfs/dbraw/zinc/06/61/36/668066136.db2.gz GPRUKLFHBIHVOC-HNNXBMFYSA-N 1 3 324.469 0.566 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCCCCNC(=O)CC2)C1 ZINC000873215901 668066139 /nfs/dbraw/zinc/06/61/39/668066139.db2.gz GPRUKLFHBIHVOC-HNNXBMFYSA-N 1 3 324.469 0.566 20 0 DCADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCN(CCN3CCOCC3)C2)C12CCC2 ZINC000925499105 668158327 /nfs/dbraw/zinc/15/83/27/668158327.db2.gz VFGYSFCUDFEDJD-OAGGEKHMSA-N 1 3 308.470 0.252 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000874466335 668192087 /nfs/dbraw/zinc/19/20/87/668192087.db2.gz MHAZGKKQORPQQS-CVEARBPZSA-N 1 3 310.486 0.716 20 0 DCADHO CC(C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000874466335 668192090 /nfs/dbraw/zinc/19/20/90/668192090.db2.gz MHAZGKKQORPQQS-CVEARBPZSA-N 1 3 310.486 0.716 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C1CC1 ZINC000875168424 668270312 /nfs/dbraw/zinc/27/03/12/668270312.db2.gz VEEYCLIDTSJYLF-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C1CC1 ZINC000875168424 668270314 /nfs/dbraw/zinc/27/03/14/668270314.db2.gz VEEYCLIDTSJYLF-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCC1(C)C ZINC000875236051 668285929 /nfs/dbraw/zinc/28/59/29/668285929.db2.gz ARSPSUDPUSOFED-LSDHHAIUSA-N 1 3 324.469 0.975 20 0 DCADHO C[N@H+]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCC1(C)C ZINC000875236051 668285930 /nfs/dbraw/zinc/28/59/30/668285930.db2.gz ARSPSUDPUSOFED-LSDHHAIUSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H]1NCCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000925535079 668327292 /nfs/dbraw/zinc/32/72/92/668327292.db2.gz BMVQNHJTGDTZMV-JKSUJKDBSA-N 1 3 318.469 0.719 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000925535079 668327297 /nfs/dbraw/zinc/32/72/97/668327297.db2.gz BMVQNHJTGDTZMV-JKSUJKDBSA-N 1 3 318.469 0.719 20 0 DCADHO CNS(=O)(=O)c1ccc(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925725957 668342564 /nfs/dbraw/zinc/34/25/64/668342564.db2.gz FJEJMEQGMSYGAW-CABCVRRESA-N 1 3 323.462 0.997 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926172157 668382042 /nfs/dbraw/zinc/38/20/42/668382042.db2.gz YKWFLCDCSDQCPH-DRXUAVOGSA-N 1 3 311.470 0.923 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)N(C)C ZINC000926172157 668382045 /nfs/dbraw/zinc/38/20/45/668382045.db2.gz YKWFLCDCSDQCPH-DRXUAVOGSA-N 1 3 311.470 0.923 20 0 DCADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000876752629 668501822 /nfs/dbraw/zinc/50/18/22/668501822.db2.gz VHMZILZKYRJSAT-UONOGXRCSA-N 1 3 322.453 0.126 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876782412 668510267 /nfs/dbraw/zinc/51/02/67/668510267.db2.gz QDYIOIJIXMAMIX-IUODEOHRSA-N 1 3 321.400 0.720 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000876782736 668510535 /nfs/dbraw/zinc/51/05/35/668510535.db2.gz UNVGRCUQVHSMHM-POMZPUPMSA-N 1 3 308.470 0.398 20 0 DCADHO CN(C)C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000876881176 668526905 /nfs/dbraw/zinc/52/69/05/668526905.db2.gz CXNPAILICAKNLP-KBPBESRZSA-N 1 3 312.845 0.948 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000876923770 668536815 /nfs/dbraw/zinc/53/68/15/668536815.db2.gz ZHIHYOWZXFBIOT-AWEZNQCLSA-N 1 3 305.426 0.729 20 0 DCADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H](N)CC(F)F ZINC000877132389 668565596 /nfs/dbraw/zinc/56/55/96/668565596.db2.gz CBZJHCQUEVVREN-GFCCVEGCSA-N 1 3 307.385 0.786 20 0 DCADHO Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc(N)n1 ZINC000767263152 668566055 /nfs/dbraw/zinc/56/60/55/668566055.db2.gz SJDOFAFOTHRBSV-LBPRGKRZSA-N 1 3 304.398 0.286 20 0 DCADHO Cc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)nc(N)n1 ZINC000767263152 668566058 /nfs/dbraw/zinc/56/60/58/668566058.db2.gz SJDOFAFOTHRBSV-LBPRGKRZSA-N 1 3 304.398 0.286 20 0 DCADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877337693 668603870 /nfs/dbraw/zinc/60/38/70/668603870.db2.gz SDZNQEJRDMBCKA-ZIAGYGMSSA-N 1 3 311.426 0.030 20 0 DCADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1Cc2ccccc2CN1 ZINC000877346730 668606200 /nfs/dbraw/zinc/60/62/00/668606200.db2.gz HAFHRRBZMFCHAF-CVEARBPZSA-N 1 3 303.406 0.586 20 0 DCADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929724078 668724798 /nfs/dbraw/zinc/72/47/98/668724798.db2.gz XOMMUWQRPKICSK-JYJNAYRXSA-N 1 3 300.443 0.695 20 0 DCADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929724078 668724800 /nfs/dbraw/zinc/72/48/00/668724800.db2.gz XOMMUWQRPKICSK-JYJNAYRXSA-N 1 3 300.443 0.695 20 0 DCADHO Cc1cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)nn1 ZINC000929951234 668931000 /nfs/dbraw/zinc/93/10/00/668931000.db2.gz CHSWSMRBGZCYIW-UHFFFAOYSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC(C)(C)C1)[N@H+](C)C1CC1 ZINC000929958004 668932370 /nfs/dbraw/zinc/93/23/70/668932370.db2.gz BTVYIBCJJQSDHM-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCCN1CCC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000929958004 668932375 /nfs/dbraw/zinc/93/23/75/668932375.db2.gz BTVYIBCJJQSDHM-ZDUSSCGKSA-N 1 3 324.469 0.433 20 0 DCADHO O=C1OC[C@H]2CN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000879067789 668978223 /nfs/dbraw/zinc/97/82/23/668978223.db2.gz YFEZEIWXJUHPQO-NUJGCVRESA-N 1 3 316.401 0.728 20 0 DCADHO O=C1OC[C@H]2CN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000879067789 668978228 /nfs/dbraw/zinc/97/82/28/668978228.db2.gz YFEZEIWXJUHPQO-NUJGCVRESA-N 1 3 316.401 0.728 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(=O)n(C)n1 ZINC000879905264 669121733 /nfs/dbraw/zinc/12/17/33/669121733.db2.gz CQLQTCPTBSZQJT-LBPRGKRZSA-N 1 3 324.429 0.174 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(=O)n(C)n1 ZINC000879905264 669121738 /nfs/dbraw/zinc/12/17/38/669121738.db2.gz CQLQTCPTBSZQJT-LBPRGKRZSA-N 1 3 324.429 0.174 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932018779 669299560 /nfs/dbraw/zinc/29/95/60/669299560.db2.gz YYVPJQWMDFPUJQ-IJEWVQPXSA-N 1 3 313.442 0.898 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932018779 669299563 /nfs/dbraw/zinc/29/95/63/669299563.db2.gz YYVPJQWMDFPUJQ-IJEWVQPXSA-N 1 3 313.442 0.898 20 0 DCADHO O=C1NC[C@H](O)CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC000932833089 669427011 /nfs/dbraw/zinc/42/70/11/669427011.db2.gz MYQOAPIVNHRCOB-OAHLLOKOSA-N 1 3 309.454 0.825 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)N1CCCCC1 ZINC000793706354 669736539 /nfs/dbraw/zinc/73/65/39/669736539.db2.gz GWZAELFUFSYFCB-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)N1CCCCC1 ZINC000793706354 669736542 /nfs/dbraw/zinc/73/65/42/669736542.db2.gz GWZAELFUFSYFCB-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000847408972 670549268 /nfs/dbraw/zinc/54/92/68/670549268.db2.gz OTMDLYNUYFAPPU-ZIAGYGMSSA-N 1 3 321.425 0.038 20 0 DCADHO CN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849557538 670814828 /nfs/dbraw/zinc/81/48/28/670814828.db2.gz GVQCEBDSEFBSGG-HUUCEWRRSA-N 1 3 307.442 0.475 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000817945870 670955719 /nfs/dbraw/zinc/95/57/19/670955719.db2.gz NXZSCQSVXINCSU-KRWDZBQOSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CCCCC1 ZINC000851686726 671013833 /nfs/dbraw/zinc/01/38/33/671013833.db2.gz GQIPIABRIINGDT-KFWWJZLASA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CN1Cc1ccccc1 ZINC000852869380 671179962 /nfs/dbraw/zinc/17/99/62/671179962.db2.gz DSQHNCJCARLHAM-VHDGCEQUSA-N 1 3 316.405 0.869 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000820496576 671206338 /nfs/dbraw/zinc/20/63/38/671206338.db2.gz ZLWJOIYXZZMMBI-MRXNPFEDSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000820496576 671206344 /nfs/dbraw/zinc/20/63/44/671206344.db2.gz ZLWJOIYXZZMMBI-MRXNPFEDSA-N 1 3 308.470 0.565 20 0 DCADHO C[NH+]1CCC(OCC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000821051345 671248548 /nfs/dbraw/zinc/24/85/48/671248548.db2.gz AUXZMSQQSDKGPQ-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CCN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@H+](CC)C1 ZINC000853683436 671258470 /nfs/dbraw/zinc/25/84/70/671258470.db2.gz SNEWGYAJCQDVHX-JYJNAYRXSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@@H+](CC)C1 ZINC000853683436 671258473 /nfs/dbraw/zinc/25/84/73/671258473.db2.gz SNEWGYAJCQDVHX-JYJNAYRXSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000823562611 671399589 /nfs/dbraw/zinc/39/95/89/671399589.db2.gz WHBVCPZQWFVRTP-ZIAGYGMSSA-N 1 3 310.442 0.438 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000827429351 671527418 /nfs/dbraw/zinc/52/74/18/671527418.db2.gz CMICDDGNOOBXQQ-GDBMZVCRSA-N 1 3 308.470 0.565 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC(N3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000827429351 671527420 /nfs/dbraw/zinc/52/74/20/671527420.db2.gz CMICDDGNOOBXQQ-GDBMZVCRSA-N 1 3 308.470 0.565 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841790294 671955241 /nfs/dbraw/zinc/95/52/41/671955241.db2.gz CEHSNWAZCIJIPB-BFYDXBDKSA-N 1 3 322.453 0.635 20 0 DCADHO [NH3+][C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000841791011 671956124 /nfs/dbraw/zinc/95/61/24/671956124.db2.gz LLYUBGGYPHVCCE-ARFHVFGLSA-N 1 3 318.421 0.849 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000842014853 671973823 /nfs/dbraw/zinc/97/38/23/671973823.db2.gz FRDLSYCUGDHTAF-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842015129 671974274 /nfs/dbraw/zinc/97/42/74/671974274.db2.gz GYQJAAYVDZSZED-ZIAGYGMSSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N1CCCCC1 ZINC000842016032 671974612 /nfs/dbraw/zinc/97/46/12/671974612.db2.gz QTRRPCUVIIFGRT-HZSPNIEDSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842016031 671974792 /nfs/dbraw/zinc/97/47/92/671974792.db2.gz QTHOFMOLBGTKCW-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842229703 671997746 /nfs/dbraw/zinc/99/77/46/671997746.db2.gz LYVLBSRJHYVYSB-AWEZNQCLSA-N 1 3 320.437 0.083 20 0 DCADHO CC(=O)NCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848981282 685370068 /nfs/dbraw/zinc/37/00/68/685370068.db2.gz PYUDZITVNACQAD-UHFFFAOYSA-N 1 3 317.437 0.901 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCC[C@H](C)C1)C2 ZINC000903493912 685465358 /nfs/dbraw/zinc/46/53/58/685465358.db2.gz ZZTYXPJQHXBFFY-ZJOBFFGXSA-N 1 3 323.437 0.457 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001024264192 693806069 /nfs/dbraw/zinc/80/60/69/693806069.db2.gz NDSFAQWRTQHOCP-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001024264192 693806072 /nfs/dbraw/zinc/80/60/72/693806072.db2.gz NDSFAQWRTQHOCP-LSDHHAIUSA-N 1 3 319.453 0.700 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CCn2cccn2)C1 ZINC001024802482 693832988 /nfs/dbraw/zinc/83/29/88/693832988.db2.gz WDLGPLZYLVDRGD-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CCn2cccn2)C1 ZINC001024802482 693832993 /nfs/dbraw/zinc/83/29/93/693832993.db2.gz WDLGPLZYLVDRGD-CVEARBPZSA-N 1 3 319.453 0.806 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000066245630 685065201 /nfs/dbraw/zinc/06/52/01/685065201.db2.gz ZBMWXSBUSXSCQE-HUUCEWRRSA-N 1 3 311.474 0.343 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CC[C@H]2CCOC2)CC1 ZINC001038664711 694154551 /nfs/dbraw/zinc/15/45/51/694154551.db2.gz WVOCXBRKFGENHW-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000960216401 688326792 /nfs/dbraw/zinc/32/67/92/688326792.db2.gz GLKZWGFTDUFUSO-CVEARBPZSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000960216401 688326798 /nfs/dbraw/zinc/32/67/98/688326798.db2.gz GLKZWGFTDUFUSO-CVEARBPZSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+]1CCC(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCCO)CC1 ZINC000960301592 688346568 /nfs/dbraw/zinc/34/65/68/688346568.db2.gz DVHWIXLKKGTSNW-IAGOWNOFSA-N 1 3 317.433 0.692 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC000961230058 688576477 /nfs/dbraw/zinc/57/64/77/688576477.db2.gz KHUXIHIOJMTQBF-HUUCEWRRSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CC[N@H+](CCCO)C2)C1 ZINC000961230058 688576479 /nfs/dbraw/zinc/57/64/79/688576479.db2.gz KHUXIHIOJMTQBF-HUUCEWRRSA-N 1 3 320.437 0.895 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000961762237 688725507 /nfs/dbraw/zinc/72/55/07/688725507.db2.gz FTSMCZAKAVQYGE-LMOYCYGVSA-N 1 3 313.417 0.238 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000961762237 688725513 /nfs/dbraw/zinc/72/55/13/688725513.db2.gz FTSMCZAKAVQYGE-LMOYCYGVSA-N 1 3 313.417 0.238 20 0 DCADHO O=C(NC1CC(C[NH2+]CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000962101618 688812344 /nfs/dbraw/zinc/81/23/44/688812344.db2.gz BWEHHVPCPOOTRY-KUNBBXKYSA-N 1 3 319.449 0.744 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC(CNCc2nccn2C)C1 ZINC000962305906 688878866 /nfs/dbraw/zinc/87/88/66/688878866.db2.gz NIKGODJALIYUQY-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC1CC(CNCc2nccn2C)C1 ZINC000962305906 688878869 /nfs/dbraw/zinc/87/88/69/688878869.db2.gz NIKGODJALIYUQY-WLYUNCDWSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000962539905 688936349 /nfs/dbraw/zinc/93/63/49/688936349.db2.gz LIXJZXFLWLNMSD-HLIUYOAVSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1ccc(CNCC2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000962539905 688936351 /nfs/dbraw/zinc/93/63/51/688936351.db2.gz LIXJZXFLWLNMSD-HLIUYOAVSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H]([NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1)C(N)=O ZINC000965065398 689348350 /nfs/dbraw/zinc/34/83/50/689348350.db2.gz VVJKQRVEWTULFI-MAJRPQAMSA-N 1 3 322.453 0.219 20 0 DCADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000967980361 690141926 /nfs/dbraw/zinc/14/19/26/690141926.db2.gz UJJAMTSGSPOYHD-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000967980361 690141931 /nfs/dbraw/zinc/14/19/31/690141931.db2.gz UJJAMTSGSPOYHD-UKRRQHHQSA-N 1 3 324.469 0.338 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC000968724572 690379909 /nfs/dbraw/zinc/37/99/09/690379909.db2.gz GQZWSZCKRSETRQ-UMVBOHGHSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC000968724572 690379912 /nfs/dbraw/zinc/37/99/12/690379912.db2.gz GQZWSZCKRSETRQ-UMVBOHGHSA-N 1 3 305.426 0.451 20 0 DCADHO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@@H](NCCF)C1 ZINC000968907416 690420925 /nfs/dbraw/zinc/42/09/25/690420925.db2.gz MGKBFVKVTQJMRG-UKRRQHHQSA-N 1 3 313.417 0.790 20 0 DCADHO O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@@H](NCCF)C1 ZINC000968907416 690420927 /nfs/dbraw/zinc/42/09/27/690420927.db2.gz MGKBFVKVTQJMRG-UKRRQHHQSA-N 1 3 313.417 0.790 20 0 DCADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1)C1CC1 ZINC000968912543 690422418 /nfs/dbraw/zinc/42/24/18/690422418.db2.gz KDRSKWDZSGTWEO-HZPDHXFCSA-N 1 3 319.453 0.493 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000968967419 690438116 /nfs/dbraw/zinc/43/81/16/690438116.db2.gz ODAXXXJRSNGDMF-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cncc1CN[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000968967419 690438118 /nfs/dbraw/zinc/43/81/18/690438118.db2.gz ODAXXXJRSNGDMF-CABCVRRESA-N 1 3 319.453 0.985 20 0 DCADHO CCN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1=O ZINC000968990179 690445267 /nfs/dbraw/zinc/44/52/67/690445267.db2.gz WMLUYGUBPJMSCY-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015323906 692264503 /nfs/dbraw/zinc/26/45/03/692264503.db2.gz LWZIVBUZCUIPDD-KRIMKBQASA-N 1 3 307.438 0.696 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015323906 692264507 /nfs/dbraw/zinc/26/45/07/692264507.db2.gz LWZIVBUZCUIPDD-KRIMKBQASA-N 1 3 307.438 0.696 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018990571 693310711 /nfs/dbraw/zinc/31/07/11/693310711.db2.gz LXZPKKFFNAAPFW-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018990571 693310716 /nfs/dbraw/zinc/31/07/16/693310716.db2.gz LXZPKKFFNAAPFW-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC001019382729 693456694 /nfs/dbraw/zinc/45/66/94/693456694.db2.gz ILXPODNYBADPQA-CABCVRRESA-N 1 3 305.426 0.415 20 0 DCADHO C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001073433737 694726637 /nfs/dbraw/zinc/72/66/37/694726637.db2.gz LKMKQGQKLCRCQO-CQSZACIVSA-N 1 3 313.417 0.459 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCO)CC2)C1CC1 ZINC001040729613 694601069 /nfs/dbraw/zinc/60/10/69/694601069.db2.gz KCIIQUFKQXHNRJ-OAHLLOKOSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072677747 694651348 /nfs/dbraw/zinc/65/13/48/694651348.db2.gz SNRCPLRGTWJKAX-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CO[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983425 694691160 /nfs/dbraw/zinc/69/11/60/694691160.db2.gz VZXVZBDIRCLYNR-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO CO[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001072983425 694691161 /nfs/dbraw/zinc/69/11/61/694691161.db2.gz VZXVZBDIRCLYNR-LSDHHAIUSA-N 1 3 309.454 0.897 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)[C@@H]2C)CC1 ZINC001075009771 694934346 /nfs/dbraw/zinc/93/43/46/694934346.db2.gz WYJZUNLBJGVLDZ-YDHLFZDLSA-N 1 3 324.469 0.560 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001571549912 1162805507 /nfs/dbraw/zinc/80/55/07/1162805507.db2.gz IOYGNCIIPXFVQZ-CABCVRRESA-N 1 3 322.457 0.493 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCc1cnn(C)c1)N(C)C ZINC001671313135 1157933811 /nfs/dbraw/zinc/93/38/11/1157933811.db2.gz NREFQKPDPNBFIC-JKSUJKDBSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)C[NH2+]1 ZINC001649037806 1158607853 /nfs/dbraw/zinc/60/78/53/1158607853.db2.gz BMFOLERRXYBVDV-SWHYSGLUSA-N 1 3 316.405 0.769 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001446418310 1159407045 /nfs/dbraw/zinc/40/70/45/1159407045.db2.gz LZRXLTSHFHVUCX-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CC2)CCOCC1 ZINC001446726816 1159515474 /nfs/dbraw/zinc/51/54/74/1159515474.db2.gz POPNYDRWMUKQBP-UHFFFAOYSA-N 1 3 306.410 0.926 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001449064437 1159740164 /nfs/dbraw/zinc/74/01/64/1159740164.db2.gz WNUTZDRNPNQOHQ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C(C)C ZINC001456798771 1159762722 /nfs/dbraw/zinc/76/27/22/1159762722.db2.gz DSWRGUPXWGTMJJ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C(C)C ZINC001456798771 1159762728 /nfs/dbraw/zinc/76/27/28/1159762728.db2.gz DSWRGUPXWGTMJJ-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001567107260 1160242905 /nfs/dbraw/zinc/24/29/05/1160242905.db2.gz ZDQOJKCYSYMWCP-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CCc1cnn(C)c1 ZINC001568176029 1160590858 /nfs/dbraw/zinc/59/08/58/1160590858.db2.gz POFBKLBAVAZJBR-CQSZACIVSA-N 1 3 321.469 0.789 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001568862233 1160825057 /nfs/dbraw/zinc/82/50/57/1160825057.db2.gz FVBQWFLQIKSVDI-GMOCUTOCSA-N 1 3 322.453 0.529 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001568862233 1160825062 /nfs/dbraw/zinc/82/50/62/1160825062.db2.gz FVBQWFLQIKSVDI-GMOCUTOCSA-N 1 3 322.453 0.529 20 0 DCADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@H](O)CC(F)(F)F ZINC001568963596 1160900942 /nfs/dbraw/zinc/90/09/42/1160900942.db2.gz DMAQPLMDNKXPAP-UDSFMNFJSA-N 1 3 323.359 0.658 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001568970705 1160904428 /nfs/dbraw/zinc/90/44/28/1160904428.db2.gz ZCLONAKQYZPEPW-JZIMQPMSSA-N 1 3 322.453 0.355 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCC1=O)N(C)C ZINC001569017781 1160919850 /nfs/dbraw/zinc/91/98/50/1160919850.db2.gz SZFJRFRZQVPTSH-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC001574001551 1163621467 /nfs/dbraw/zinc/62/14/67/1163621467.db2.gz DUWCWHVZUIILLL-BZUAXINKSA-N 1 3 319.405 0.569 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cn[nH]n2)C1 ZINC001575419520 1164008390 /nfs/dbraw/zinc/00/83/90/1164008390.db2.gz BMHAFWZQSTUVQI-DZGCQCFKSA-N 1 3 320.441 0.758 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cn[nH]n2)C1 ZINC001575419520 1164008395 /nfs/dbraw/zinc/00/83/95/1164008395.db2.gz BMHAFWZQSTUVQI-DZGCQCFKSA-N 1 3 320.441 0.758 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)C12CCC[NH+](CCC1)C2)N(C)C ZINC001575424366 1164009306 /nfs/dbraw/zinc/00/93/06/1164009306.db2.gz BADVVYFAMAJGOJ-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@@H](NCc1cn[nH]n1)C1CC1)[NH+](C)C ZINC001575441960 1164015836 /nfs/dbraw/zinc/01/58/36/1164015836.db2.gz AEIYTCVTPWFNDG-ZIAGYGMSSA-N 1 3 308.430 0.375 20 0 DCADHO CCCC[C@@H](CNCc1c[nH]nn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001576382878 1164321714 /nfs/dbraw/zinc/32/17/14/1164321714.db2.gz JBATZNXDIFLAOO-VNHYZAJKSA-N 1 3 322.457 0.910 20 0 DCADHO CCCC[C@@H](CNCc1c[nH]nn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001576382878 1164321722 /nfs/dbraw/zinc/32/17/22/1164321722.db2.gz JBATZNXDIFLAOO-VNHYZAJKSA-N 1 3 322.457 0.910 20 0 DCADHO CCN(CCNCc1c[nH]nn1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001576542515 1164384491 /nfs/dbraw/zinc/38/44/91/1164384491.db2.gz PRISLGWYLKFUHE-HNNXBMFYSA-N 1 3 322.457 0.863 20 0 DCADHO CCN(CCNCc1c[nH]nn1)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001576542515 1164384498 /nfs/dbraw/zinc/38/44/98/1164384498.db2.gz PRISLGWYLKFUHE-HNNXBMFYSA-N 1 3 322.457 0.863 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC2(CNCc3cn[nH]n3)CCCC2)C1 ZINC001576875079 1164512102 /nfs/dbraw/zinc/51/21/02/1164512102.db2.gz BTOAKCSOYDWQDO-LBPRGKRZSA-N 1 3 306.414 0.275 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC2(CNCc3cn[nH]n3)CCCC2)C1 ZINC001576875079 1164512113 /nfs/dbraw/zinc/51/21/13/1164512113.db2.gz BTOAKCSOYDWQDO-LBPRGKRZSA-N 1 3 306.414 0.275 20 0 DCADHO CCc1nnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1CCN1CC=CCC1 ZINC001578306990 1164971480 /nfs/dbraw/zinc/97/14/80/1164971480.db2.gz ZEQYZZIVRZSREE-KBPBESRZSA-N 1 3 304.442 0.886 20 0 DCADHO C[NH+](C)CCNC(=O)C1CCN(C[C@H]2CC(F)(F)CN2)CC1 ZINC001578418421 1165007883 /nfs/dbraw/zinc/00/78/83/1165007883.db2.gz MBCAHXKIXUMHLS-CYBMUJFWSA-N 1 3 318.412 0.373 20 0 DCADHO CN1CC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001578525223 1165042589 /nfs/dbraw/zinc/04/25/89/1165042589.db2.gz BLVWTVBKQNZULW-OAGGEKHMSA-N 1 3 321.469 0.301 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CCC3(CC[NH2+]3)CC2)CC1 ZINC001578533761 1165050303 /nfs/dbraw/zinc/05/03/03/1165050303.db2.gz XHFFGUZQZCJJCF-UHFFFAOYSA-N 1 3 323.485 0.552 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC001578640609 1165073338 /nfs/dbraw/zinc/07/33/38/1165073338.db2.gz IUGPHPJTPXQUND-RDJZCZTQSA-N 1 3 321.465 0.836 20 0 DCADHO Cc1nccn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001579881695 1165421550 /nfs/dbraw/zinc/42/15/50/1165421550.db2.gz HZVCLBAPPOKMQC-IYBDPMFKSA-N 1 3 317.437 0.619 20 0 DCADHO [NH3+]CC[C@H](O)CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001580284556 1165558343 /nfs/dbraw/zinc/55/83/43/1165558343.db2.gz IVBIGJCZHIVLGH-UWVGGRQHSA-N 1 3 304.316 0.994 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC001580311169 1165567599 /nfs/dbraw/zinc/56/75/99/1165567599.db2.gz IRUUJDPJEXXSRM-AWEZNQCLSA-N 1 3 302.422 0.857 20 0 DCADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001580612158 1165656911 /nfs/dbraw/zinc/65/69/11/1165656911.db2.gz UTQNZVOCLHSCKK-GJZGRUSLSA-N 1 3 323.437 0.125 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580651728 1165674412 /nfs/dbraw/zinc/67/44/12/1165674412.db2.gz FBJFCYUCNYILCY-CABCVRRESA-N 1 3 309.454 0.729 20 0 DCADHO O=C(NCC1CCN(Cc2ccncc2)CC1)OC1C[NH2+]C1 ZINC001580659245 1165676393 /nfs/dbraw/zinc/67/63/93/1165676393.db2.gz YDESSXNUEXOAMK-UHFFFAOYSA-N 1 3 304.394 0.992 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC12CC[NH2+]CC2 ZINC001580661524 1165678717 /nfs/dbraw/zinc/67/87/17/1165678717.db2.gz YFPJRKBIVGGRIB-ZIAGYGMSSA-N 1 3 308.426 0.387 20 0 DCADHO O=C1O[C@@H](CN[C@@]2(CO)CCCc3ccccc32)CC12C[NH2+]C2 ZINC001580858655 1165740631 /nfs/dbraw/zinc/74/06/31/1165740631.db2.gz NFJLTUUOGBILCV-RDTXWAMCSA-N 1 3 316.401 0.705 20 0 DCADHO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(-c2nnn[n-]2)n1 ZINC001590783702 1167019417 /nfs/dbraw/zinc/01/94/17/1167019417.db2.gz FPOOACLMYUWTHW-ZDUSSCGKSA-N 1 3 319.413 0.708 20 0 DCADHO COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001605052023 1169796121 /nfs/dbraw/zinc/79/61/21/1169796121.db2.gz HXAOWMQVDDZMLZ-LBPRGKRZSA-N 1 3 320.397 0.719 20 0 DCADHO COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001605052023 1169796125 /nfs/dbraw/zinc/79/61/25/1169796125.db2.gz HXAOWMQVDDZMLZ-LBPRGKRZSA-N 1 3 320.397 0.719 20 0 DCADHO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609123300 1170817950 /nfs/dbraw/zinc/81/79/50/1170817950.db2.gz FNMNCTOCQCGPBN-ZDUSSCGKSA-N 1 3 315.425 0.813 20 0 DCADHO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609123300 1170817952 /nfs/dbraw/zinc/81/79/52/1170817952.db2.gz FNMNCTOCQCGPBN-ZDUSSCGKSA-N 1 3 315.425 0.813 20 0 DCADHO CNC(=O)CCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001645700231 1172108043 /nfs/dbraw/zinc/10/80/43/1172108043.db2.gz KFLPQXZAAZMNSM-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH2+]CC1CCN(Cc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC001647240151 1172757962 /nfs/dbraw/zinc/75/79/62/1172757962.db2.gz ZSBKTAPTNVGZEI-UHFFFAOYSA-N 1 3 321.421 0.991 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+]1C ZINC001649879129 1173278725 /nfs/dbraw/zinc/27/87/25/1173278725.db2.gz CCFCTXPKWCWCNG-PWSUYJOCSA-N 1 3 322.413 0.265 20 0 DCADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+]1C ZINC001649879129 1173278730 /nfs/dbraw/zinc/27/87/30/1173278730.db2.gz CCFCTXPKWCWCNG-PWSUYJOCSA-N 1 3 322.413 0.265 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC001650346657 1173583175 /nfs/dbraw/zinc/58/31/75/1173583175.db2.gz OJBLXXXQEGTCDI-FZKCQIBNSA-N 1 3 308.470 0.754 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CNCCN2C)C1 ZINC001650346657 1173583181 /nfs/dbraw/zinc/58/31/81/1173583181.db2.gz OJBLXXXQEGTCDI-FZKCQIBNSA-N 1 3 308.470 0.754 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1(C)C ZINC001650415808 1173628841 /nfs/dbraw/zinc/62/88/41/1173628841.db2.gz PEGGEBRLZFSYKF-IXKJSCDLSA-N 1 3 309.454 0.929 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1(C)C ZINC001650415808 1173628843 /nfs/dbraw/zinc/62/88/43/1173628843.db2.gz PEGGEBRLZFSYKF-IXKJSCDLSA-N 1 3 309.454 0.929 20 0 DCADHO CN(CCCNC(=O)CC1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC001660321127 1173976316 /nfs/dbraw/zinc/97/63/16/1173976316.db2.gz BJOKRMWBJHRVDR-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@@H](C(N)=O)N(CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001660744170 1174047176 /nfs/dbraw/zinc/04/71/76/1174047176.db2.gz AHIDHRIFAZQABG-AWEZNQCLSA-N 1 3 322.453 0.317 20 0 DCADHO CN(CCNCC(=O)NC(C)(C)C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663938328 1174372824 /nfs/dbraw/zinc/37/28/24/1174372824.db2.gz VQBJCADKZJTAFH-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1cc(CNCCN(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)on1 ZINC001664374757 1174427327 /nfs/dbraw/zinc/42/73/27/1174427327.db2.gz QMICTSDPYQPFEB-ZDUSSCGKSA-N 1 3 324.425 0.499 20 0 DCADHO Cn1nncc1CNCC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001666140079 1174589393 /nfs/dbraw/zinc/58/93/93/1174589393.db2.gz PQIFJLXREUHQBL-AWEZNQCLSA-N 1 3 322.457 0.485 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)[NH+]1CCCCC1 ZINC001669208227 1174910898 /nfs/dbraw/zinc/91/08/98/1174910898.db2.gz RKBBLHFJSQPWSS-RWCKICOTSA-N 1 3 324.469 0.633 20 0 DCADHO CCn1cc(CC[NH2+]C[C@H](C)NC(=O)CN2CC[C@H](C)C2)cn1 ZINC001669665133 1174941912 /nfs/dbraw/zinc/94/19/12/1174941912.db2.gz QPDOGYMGWADBNJ-GJZGRUSLSA-N 1 3 321.469 0.882 20 0 DCADHO C[C@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)CN(C)C1CCC1 ZINC001675916196 1175403169 /nfs/dbraw/zinc/40/31/69/1175403169.db2.gz TZVBARMHAOUTQC-TZMCWYRMSA-N 1 3 310.442 0.234 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001677125504 1175531488 /nfs/dbraw/zinc/53/14/88/1175531488.db2.gz LAJOIKQTJHMXEL-OAHLLOKOSA-N 1 3 311.401 0.740 20 0 DCADHO CCOCCN(C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001677169571 1175543202 /nfs/dbraw/zinc/54/32/02/1175543202.db2.gz UYGUDXHPNLPRJX-HNNXBMFYSA-N 1 3 315.458 0.116 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001689391706 1176863118 /nfs/dbraw/zinc/86/31/18/1176863118.db2.gz HXAPBPVBWRVRGG-ISZGNANSSA-N 1 3 322.453 0.211 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC001690751481 1177318393 /nfs/dbraw/zinc/31/83/93/1177318393.db2.gz LVNPAKVXSLTDHI-JKSUJKDBSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](CNCC(N)=O)C1 ZINC001691854449 1177370955 /nfs/dbraw/zinc/37/09/55/1177370955.db2.gz GSCIGLJCVYALEA-KGLIPLIRSA-N 1 3 312.458 0.420 20 0 DCADHO O=C(NC[C@@H](O)CNC/C=C\Cl)C12CCC[NH+](CCC1)C2 ZINC001699050620 1177801425 /nfs/dbraw/zinc/80/14/25/1177801425.db2.gz IXRCNRIWBDMTSX-RJNRQISESA-N 1 3 315.845 0.682 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCc1ccc(Cl)nc1 ZINC001699058343 1177809837 /nfs/dbraw/zinc/80/98/37/1177809837.db2.gz DSMRFTVFTWNNPJ-GFCCVEGCSA-N 1 3 314.817 0.253 20 0 DCADHO CN(C)C1(C(=O)NC/C=C/C[NH2+]CCn2cncn2)CCC1 ZINC001699263012 1178003855 /nfs/dbraw/zinc/00/38/55/1178003855.db2.gz OKYVJCGVBBQNLA-ONEGZZNKSA-N 1 3 306.414 0.024 20 0 DCADHO CN(C)C1(C(=O)NC/C=C\C[NH2+]CCn2cccn2)CCC1 ZINC001699263088 1178004562 /nfs/dbraw/zinc/00/45/62/1178004562.db2.gz PLXTVPNXSKUPKZ-ARJAWSKDSA-N 1 3 305.426 0.629 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC/C=C\C[NH2+]CCO)C1 ZINC001699309550 1178052383 /nfs/dbraw/zinc/05/23/83/1178052383.db2.gz UFZHWTUPVNEVSB-XVWMLYKFSA-N 1 3 301.406 0.453 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001699538378 1178188366 /nfs/dbraw/zinc/18/83/66/1178188366.db2.gz UERVPWZLSNFXAV-CYBMUJFWSA-N 1 3 323.441 0.646 20 0 DCADHO CN(CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001700081097 1178472808 /nfs/dbraw/zinc/47/28/08/1178472808.db2.gz XCJUIJBHJVOMGP-CYBMUJFWSA-N 1 3 312.458 0.278 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCNC(=O)CC[NH+](C)C ZINC001703181185 1179375600 /nfs/dbraw/zinc/37/56/00/1179375600.db2.gz FROBJMKAHVHPNF-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001704539875 1180050484 /nfs/dbraw/zinc/05/04/84/1180050484.db2.gz NJPHNYITHNLQCW-UHFFFAOYSA-N 1 3 321.425 0.320 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCOCC3CC3)C2)C1 ZINC001713340458 1180776146 /nfs/dbraw/zinc/77/61/46/1180776146.db2.gz DVFKIWKNGJNKHI-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H](CC[NH2+]CCO)C2)CC1 ZINC001714232358 1181288226 /nfs/dbraw/zinc/28/82/26/1181288226.db2.gz OWJXBBKVGSKENP-MRXNPFEDSA-N 1 3 311.470 0.929 20 0 DCADHO CCCCNC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001714300054 1181312403 /nfs/dbraw/zinc/31/24/03/1181312403.db2.gz JJWHHVWDZBRHAW-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CN(CC[NH2+]CCOCC(F)(F)F)C(=O)[C@H]1CCCN1C ZINC001714690948 1181482256 /nfs/dbraw/zinc/48/22/56/1181482256.db2.gz OABBMQWPNLVGTM-LLVKDONJSA-N 1 3 311.348 0.708 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC1CC1 ZINC001714713027 1181498335 /nfs/dbraw/zinc/49/83/35/1181498335.db2.gz INFRVARJQCUUCQ-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC1CC1 ZINC001714713027 1181498339 /nfs/dbraw/zinc/49/83/39/1181498339.db2.gz INFRVARJQCUUCQ-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1nccnc1C[NH2+]C[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001715252692 1181735954 /nfs/dbraw/zinc/73/59/54/1181735954.db2.gz KOTFFZRAZDAMMH-ZIAGYGMSSA-N 1 3 319.453 0.969 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001715830000 1182034289 /nfs/dbraw/zinc/03/42/89/1182034289.db2.gz UJLFOMIXBVZKHC-CNBITHIKSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCc2cnn(C)c2)C1 ZINC001715876665 1182069166 /nfs/dbraw/zinc/06/91/66/1182069166.db2.gz UJYKYJKMVDMQJV-JZIMQPMSSA-N 1 3 319.453 0.566 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC/C=C\CN[C@@H](C)C(N)=O)CC1 ZINC001715884783 1182075423 /nfs/dbraw/zinc/07/54/23/1182075423.db2.gz AVTOBSKJKRMKDL-ZFDPJTLLSA-N 1 3 310.442 0.243 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCc1cnn(C)c1 ZINC001715961759 1182121060 /nfs/dbraw/zinc/12/10/60/1182121060.db2.gz GSJHEWDBPGFAQO-GDBMZVCRSA-N 1 3 321.469 0.931 20 0 DCADHO CN(CCC[NH2+]Cc1cnn(C)c1)C(=O)CN(C)C1CCC1 ZINC001716546332 1182435654 /nfs/dbraw/zinc/43/56/54/1182435654.db2.gz PDLFLHLORJKXBT-UHFFFAOYSA-N 1 3 307.442 0.843 20 0 DCADHO Cn1nccc1C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001717110068 1182680759 /nfs/dbraw/zinc/68/07/59/1182680759.db2.gz RAUGDBLOJOPNCV-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717927129 1183067313 /nfs/dbraw/zinc/06/73/13/1183067313.db2.gz LAHJPHNJFQVTPJ-WFASDCNBSA-N 1 3 321.412 0.577 20 0 DCADHO CN(C[C@@H](O)CNCCF)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001717927129 1183067317 /nfs/dbraw/zinc/06/73/17/1183067317.db2.gz LAHJPHNJFQVTPJ-WFASDCNBSA-N 1 3 321.412 0.577 20 0 DCADHO CCn1ccc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001723194998 1184274056 /nfs/dbraw/zinc/27/40/56/1184274056.db2.gz VBBJIOHOIMIUIR-AWEZNQCLSA-N 1 3 307.442 0.793 20 0 DCADHO CCn1ccc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001723194998 1184274064 /nfs/dbraw/zinc/27/40/64/1184274064.db2.gz VBBJIOHOIMIUIR-AWEZNQCLSA-N 1 3 307.442 0.793 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCOCCO)CC1 ZINC001732313662 1185764469 /nfs/dbraw/zinc/76/44/69/1185764469.db2.gz RXPFLGSOXVRLCV-HDJSIYSDSA-N 1 3 324.425 0.287 20 0 DCADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCCF)N1CCCCC1 ZINC001732640328 1185888428 /nfs/dbraw/zinc/88/84/28/1185888428.db2.gz KTBFSSDOYNVCTH-ZDUSSCGKSA-N 1 3 303.422 0.677 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732694870 1185923942 /nfs/dbraw/zinc/92/39/42/1185923942.db2.gz NUUVPRFNUPWMBG-GZBFAFLISA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CCNCc1ccn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732694870 1185923944 /nfs/dbraw/zinc/92/39/44/1185923944.db2.gz NUUVPRFNUPWMBG-GZBFAFLISA-N 1 3 307.442 0.745 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732774732 1185962108 /nfs/dbraw/zinc/96/21/08/1185962108.db2.gz KBADWFKQIWBNND-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732774732 1185962111 /nfs/dbraw/zinc/96/21/11/1185962111.db2.gz KBADWFKQIWBNND-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CCN(CC[NH2+]CCc1ccnn1C)C(=O)CN1CC[C@@H](C)C1 ZINC001732798043 1185973127 /nfs/dbraw/zinc/97/31/27/1185973127.db2.gz PCEYETYICVBWNI-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001733885440 1186486092 /nfs/dbraw/zinc/48/60/92/1186486092.db2.gz MQQOPJHGYWEPNT-CYBMUJFWSA-N 1 3 321.412 0.579 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCn3cccn3)C2)CCC1 ZINC001734209545 1186579923 /nfs/dbraw/zinc/57/99/23/1186579923.db2.gz RSSNTGSDOGSYSG-SHTZXODSSA-N 1 3 319.453 0.852 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@H+](C)CCn2cccn2)CCC1 ZINC001751989423 1188373300 /nfs/dbraw/zinc/37/33/00/1188373300.db2.gz MSWFSAZHAGJCCD-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CN(C)C1(C(=O)NCCC[N@@H+](C)CCn2cccn2)CCC1 ZINC001751989423 1188373303 /nfs/dbraw/zinc/37/33/03/1188373303.db2.gz MSWFSAZHAGJCCD-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC001752210471 1188403762 /nfs/dbraw/zinc/40/37/62/1188403762.db2.gz SFYPPEQZURUYMI-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001753040467 1188481909 /nfs/dbraw/zinc/48/19/09/1188481909.db2.gz XYZKGLZEQQQJDE-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(N)=O ZINC001753040467 1188481912 /nfs/dbraw/zinc/48/19/12/1188481912.db2.gz XYZKGLZEQQQJDE-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001753254879 1188550636 /nfs/dbraw/zinc/55/06/36/1188550636.db2.gz RYOOUDHRWVSANG-CYBMUJFWSA-N 1 3 308.430 0.155 20 0 DCADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001755236558 1189062264 /nfs/dbraw/zinc/06/22/64/1189062264.db2.gz HQAJTRFTQMBANV-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001755789387 1189214276 /nfs/dbraw/zinc/21/42/76/1189214276.db2.gz MIMYUUKYAIFNQF-HUUCEWRRSA-N 1 3 315.458 0.305 20 0 DCADHO N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001772253464 1190644858 /nfs/dbraw/zinc/64/48/58/1190644858.db2.gz CMZKUXUPVXWUKA-CQSZACIVSA-N 1 3 314.389 0.239 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001772260730 1190646636 /nfs/dbraw/zinc/64/66/36/1190646636.db2.gz UWILBGIHYZWWSU-PVAVHDDUSA-N 1 3 319.449 0.902 20 0 DCADHO CN(C)C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC001772321872 1190662450 /nfs/dbraw/zinc/66/24/50/1190662450.db2.gz GRVYJWPHMMQPDH-GJZGRUSLSA-N 1 3 309.385 0.923 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCc1c[nH]nn1 ZINC001576106748 1164241480 /nfs/dbraw/zinc/24/14/80/1164241480.db2.gz FOQQXIHZLQELQL-GXTWGEPZSA-N 1 3 308.430 0.473 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466487 751406342 /nfs/dbraw/zinc/40/63/42/751406342.db2.gz MPAANNDYKCHFNI-HIFRSBDPSA-N 1 3 324.469 0.195 20 0 DCADHO CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475577 751413106 /nfs/dbraw/zinc/41/31/06/751413106.db2.gz VZOLGSSZTQIQJL-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)N1CC[C@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127480773 751415258 /nfs/dbraw/zinc/41/52/58/751415258.db2.gz LKZRIMOVGSKGFJ-GJZGRUSLSA-N 1 3 322.453 0.043 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCn2cccn2)[C@H](C)C1 ZINC001106907780 751530690 /nfs/dbraw/zinc/53/06/90/751530690.db2.gz CBAYABMJWAHABV-HZPDHXFCSA-N 1 3 321.469 0.909 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cnnn2C)[C@H](C)C1 ZINC001106909788 751539540 /nfs/dbraw/zinc/53/95/40/751539540.db2.gz MSUJJVHIUMTBKN-ZIAGYGMSSA-N 1 3 322.457 0.341 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695104 751642451 /nfs/dbraw/zinc/64/24/51/751642451.db2.gz BGVJTZPDNGIVTB-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127695104 751642454 /nfs/dbraw/zinc/64/24/54/751642454.db2.gz BGVJTZPDNGIVTB-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@H](C)C2CC2)CC[N@@H+]1C ZINC001127706574 751713274 /nfs/dbraw/zinc/71/32/74/751713274.db2.gz NQNBKUZCVOFCFL-VHDGCEQUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)N[C@H](C)C2CC2)CC[N@H+]1C ZINC001127706574 751713278 /nfs/dbraw/zinc/71/32/78/751713278.db2.gz NQNBKUZCVOFCFL-VHDGCEQUSA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC2CC2)CC[N@@H+]1C ZINC001127706647 751713334 /nfs/dbraw/zinc/71/33/34/751713334.db2.gz PSYFINOKHWSJFF-FPMFFAJLSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC2CC2)CC[N@H+]1C ZINC001127706647 751713339 /nfs/dbraw/zinc/71/33/39/751713339.db2.gz PSYFINOKHWSJFF-FPMFFAJLSA-N 1 3 310.442 0.090 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC001127779673 752064702 /nfs/dbraw/zinc/06/47/02/752064702.db2.gz PWPBQCADQYXSNW-GXTWGEPZSA-N 1 3 324.450 0.521 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001127779673 752064711 /nfs/dbraw/zinc/06/47/11/752064711.db2.gz PWPBQCADQYXSNW-GXTWGEPZSA-N 1 3 324.450 0.521 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211257884 747186241 /nfs/dbraw/zinc/18/62/41/747186241.db2.gz WIOQHAZZRCDOIK-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CCCOCC(F)(F)F ZINC001149131432 747206469 /nfs/dbraw/zinc/20/64/69/747206469.db2.gz YRCSXZRMHDJBBP-UHFFFAOYSA-N 1 3 322.331 0.935 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001105064345 748019240 /nfs/dbraw/zinc/01/92/40/748019240.db2.gz KNAQUKQPCCDLMY-RBSFLKMASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)CNCc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098715185 749201622 /nfs/dbraw/zinc/20/16/22/749201622.db2.gz CFKVXDMPJXXLDW-OAHLLOKOSA-N 1 3 322.457 0.749 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001088326985 749370405 /nfs/dbraw/zinc/37/04/05/749370405.db2.gz CLECRMGKNXLOFD-KBPBESRZSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CN1CCCO ZINC001071646493 762019150 /nfs/dbraw/zinc/01/91/50/762019150.db2.gz ZMFWEZNCJFWEMT-HUUCEWRRSA-N 1 3 309.454 0.966 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@@H]2O)C1 ZINC001083719544 751032256 /nfs/dbraw/zinc/03/22/56/751032256.db2.gz IXNMQDWKALPIFZ-XHSDSOJGSA-N 1 3 311.470 0.926 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC(C)C)C[C@@H]2O)C1 ZINC001083719544 751032261 /nfs/dbraw/zinc/03/22/61/751032261.db2.gz IXNMQDWKALPIFZ-XHSDSOJGSA-N 1 3 311.470 0.926 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CN(CC)CC)C12CCC2 ZINC001203523830 751304428 /nfs/dbraw/zinc/30/44/28/751304428.db2.gz SLORTTDGXWYOTL-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748571 752857740 /nfs/dbraw/zinc/85/77/40/752857740.db2.gz FVWOLEUQQRDVPW-OLZOCXBDSA-N 1 3 316.409 0.855 20 0 DCADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749442 752858113 /nfs/dbraw/zinc/85/81/13/752858113.db2.gz KEUGAEONKRLXEH-OCCSQVGLSA-N 1 3 316.409 0.855 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cncn2C)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748570 752858364 /nfs/dbraw/zinc/85/83/64/752858364.db2.gz FVWOLEUQQRDVPW-CHWSQXEVSA-N 1 3 316.409 0.855 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)CCN1C(=O)CN1CCCC1 ZINC001044857044 752903394 /nfs/dbraw/zinc/90/33/94/752903394.db2.gz DSIZBOVGZGQQJS-ZIAGYGMSSA-N 1 3 320.441 0.380 20 0 DCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001044960137 752960850 /nfs/dbraw/zinc/96/08/50/752960850.db2.gz WKLJWGCFGYNJNA-ZFWWWQNUSA-N 1 3 305.426 0.595 20 0 DCADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(C)c1)C1CCC1 ZINC001045070587 753032327 /nfs/dbraw/zinc/03/23/27/753032327.db2.gz LZYZNTHEZNTPBA-INIZCTEOSA-N 1 3 319.453 0.985 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078228328 753123385 /nfs/dbraw/zinc/12/33/85/753123385.db2.gz MKUHIUKAMBYNCC-HZSPNIEDSA-N 1 3 301.406 0.382 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078228328 753123392 /nfs/dbraw/zinc/12/33/92/753123392.db2.gz MKUHIUKAMBYNCC-HZSPNIEDSA-N 1 3 301.406 0.382 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001045275622 753124760 /nfs/dbraw/zinc/12/47/60/753124760.db2.gz ATEWITUFDGHORF-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001045275622 753124764 /nfs/dbraw/zinc/12/47/64/753124764.db2.gz ATEWITUFDGHORF-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cn1 ZINC001045309681 753139334 /nfs/dbraw/zinc/13/93/34/753139334.db2.gz BHBGRMREPDFFDY-HNNXBMFYSA-N 1 3 305.426 0.597 20 0 DCADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C ZINC001078472924 753255299 /nfs/dbraw/zinc/25/52/99/753255299.db2.gz LJVFGLQFIZNNAY-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C ZINC001078472924 753255307 /nfs/dbraw/zinc/25/53/07/753255307.db2.gz LJVFGLQFIZNNAY-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067087 753459724 /nfs/dbraw/zinc/45/97/24/753459724.db2.gz SMJJFPIZDFFZHS-OAHLLOKOSA-N 1 3 305.426 0.581 20 0 DCADHO CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046067087 753459726 /nfs/dbraw/zinc/45/97/26/753459726.db2.gz SMJJFPIZDFFZHS-OAHLLOKOSA-N 1 3 305.426 0.581 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001048395116 754737402 /nfs/dbraw/zinc/73/74/02/754737402.db2.gz ZUHWPINCYNQDTC-GXTWGEPZSA-N 1 3 316.409 0.570 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001048395118 754737452 /nfs/dbraw/zinc/73/74/52/754737452.db2.gz ZUHWPINCYNQDTC-OCCSQVGLSA-N 1 3 316.409 0.570 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863567 754985043 /nfs/dbraw/zinc/98/50/43/754985043.db2.gz HJAOFNSRGGDKOH-HNKHHVNMSA-N 1 3 309.454 0.752 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863567 754985045 /nfs/dbraw/zinc/98/50/45/754985045.db2.gz HJAOFNSRGGDKOH-HNKHHVNMSA-N 1 3 309.454 0.752 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864501 754985906 /nfs/dbraw/zinc/98/59/06/754985906.db2.gz HWDAXARRSQOJQG-GUTXKFCHSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864501 754985908 /nfs/dbraw/zinc/98/59/08/754985908.db2.gz HWDAXARRSQOJQG-GUTXKFCHSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864502 754986236 /nfs/dbraw/zinc/98/62/36/754986236.db2.gz HWDAXARRSQOJQG-VNHYZAJKSA-N 1 3 322.453 0.125 20 0 DCADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864502 754986240 /nfs/dbraw/zinc/98/62/40/754986240.db2.gz HWDAXARRSQOJQG-VNHYZAJKSA-N 1 3 322.453 0.125 20 0 DCADHO CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943439 755032396 /nfs/dbraw/zinc/03/23/96/755032396.db2.gz DEXWNMIHNPYTLB-WCCAFZKYSA-N 1 3 305.422 0.260 20 0 DCADHO CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943439 755032398 /nfs/dbraw/zinc/03/23/98/755032398.db2.gz DEXWNMIHNPYTLB-WCCAFZKYSA-N 1 3 305.422 0.260 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049097750 755116492 /nfs/dbraw/zinc/11/64/92/755116492.db2.gz RNPHSRUYMJVGKB-OWCLPIDISA-N 1 3 309.454 0.632 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049097750 755116496 /nfs/dbraw/zinc/11/64/96/755116496.db2.gz RNPHSRUYMJVGKB-OWCLPIDISA-N 1 3 309.454 0.632 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)C1 ZINC001049213840 755184356 /nfs/dbraw/zinc/18/43/56/755184356.db2.gz VVNZBBBAGBZALR-OAGGEKHMSA-N 1 3 314.433 0.924 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)C1 ZINC001049213840 755184357 /nfs/dbraw/zinc/18/43/57/755184357.db2.gz VVNZBBBAGBZALR-OAGGEKHMSA-N 1 3 314.433 0.924 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052680922 755778015 /nfs/dbraw/zinc/77/80/15/755778015.db2.gz YIIOLPHUNFFPKK-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052869269 755847546 /nfs/dbraw/zinc/84/75/46/755847546.db2.gz CFWFQQOSWVLRRM-KGLIPLIRSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001054297671 756428107 /nfs/dbraw/zinc/42/81/07/756428107.db2.gz CPAIOEGFLGTFIW-XDQVBPFNSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)C(N)=O ZINC001054297671 756428111 /nfs/dbraw/zinc/42/81/11/756428111.db2.gz CPAIOEGFLGTFIW-XDQVBPFNSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC001054739108 756622716 /nfs/dbraw/zinc/62/27/16/756622716.db2.gz RYALAFKQORXLIJ-CJNGLKHVSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CCO ZINC001082743288 757253302 /nfs/dbraw/zinc/25/33/02/757253302.db2.gz RVAMGRCJACTHEV-IOASZLSFSA-N 1 3 315.433 0.628 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cncn1C ZINC001082919849 757326435 /nfs/dbraw/zinc/32/64/35/757326435.db2.gz HUKLBRZNQLXAIV-UMVBOHGHSA-N 1 3 305.426 0.308 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cncn1C ZINC001082919849 757326447 /nfs/dbraw/zinc/32/64/47/757326447.db2.gz HUKLBRZNQLXAIV-UMVBOHGHSA-N 1 3 305.426 0.308 20 0 DCADHO Cc1ccc(CN2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC001084058001 757642851 /nfs/dbraw/zinc/64/28/51/757642851.db2.gz FYPXKHLFBZTEBU-SJORKVTESA-N 1 3 317.433 0.752 20 0 DCADHO CC[C@@H](C(N)=O)[NH+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001050456463 757722414 /nfs/dbraw/zinc/72/24/14/757722414.db2.gz JMWAJWDOIRLMMI-UONOGXRCSA-N 1 3 322.453 0.269 20 0 DCADHO C[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001050546310 757824653 /nfs/dbraw/zinc/82/46/53/757824653.db2.gz NJIHUEVMBORWFX-DZGCQCFKSA-N 1 3 309.454 0.632 20 0 DCADHO CO[C@@H](C)C[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001050682311 757963446 /nfs/dbraw/zinc/96/34/46/757963446.db2.gz YKUUDCXDHFMFQR-ZDUSSCGKSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3cncs3)C2)C1 ZINC001051932620 759045608 /nfs/dbraw/zinc/04/56/08/759045608.db2.gz UWEJMUKHGVYBIZ-STQMWFEESA-N 1 3 324.450 0.412 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3cncs3)C2)C1 ZINC001051932620 759045616 /nfs/dbraw/zinc/04/56/16/759045616.db2.gz UWEJMUKHGVYBIZ-STQMWFEESA-N 1 3 324.450 0.412 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107596 759183853 /nfs/dbraw/zinc/18/38/53/759183853.db2.gz GKPHIIIFDLTFIP-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107596 759183860 /nfs/dbraw/zinc/18/38/60/759183860.db2.gz GKPHIIIFDLTFIP-IAGOWNOFSA-N 1 3 322.497 0.955 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052118622 759185205 /nfs/dbraw/zinc/18/52/05/759185205.db2.gz SZVMSIYMEYBHIR-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052118622 759185210 /nfs/dbraw/zinc/18/52/10/759185210.db2.gz SZVMSIYMEYBHIR-JKSUJKDBSA-N 1 3 308.470 0.567 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052117381 759189279 /nfs/dbraw/zinc/18/92/79/759189279.db2.gz LVQDZJIAYKYLIA-DLBZAZTESA-N 1 3 320.481 0.567 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](N3CCN(CC4CC4)CC3)C2)C1 ZINC001052117381 759189283 /nfs/dbraw/zinc/18/92/83/759189283.db2.gz LVQDZJIAYKYLIA-DLBZAZTESA-N 1 3 320.481 0.567 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](N2CC[NH+](CC3CC3)CC2)C1 ZINC001052117845 759191126 /nfs/dbraw/zinc/19/11/26/759191126.db2.gz FFVQMDUOKOXCEY-KRWDZBQOSA-N 1 3 320.481 0.711 20 0 DCADHO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086152364 759771076 /nfs/dbraw/zinc/77/10/76/759771076.db2.gz BOQYRNINODNJLG-XTCFQUFBSA-N 1 3 319.449 0.744 20 0 DCADHO C[C@H](NCCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CCCC1 ZINC001148000641 767894556 /nfs/dbraw/zinc/89/45/56/767894556.db2.gz SVZDEVRHENNAKM-ZDUSSCGKSA-N 1 3 322.453 0.235 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001066493921 760036690 /nfs/dbraw/zinc/03/66/90/760036690.db2.gz HRPZHVWJEHGXRT-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[NH+]1CCC(n2nc(C(=O)N(C)C)c3c2CCNC3)CC1 ZINC001169255591 760616848 /nfs/dbraw/zinc/61/68/48/760616848.db2.gz TWXVQZBAOCJNTG-UHFFFAOYSA-N 1 3 305.426 0.887 20 0 DCADHO Cc1cc(C)n(CC[NH2+]CCNC(=O)C2(N(C)C)CCC2)n1 ZINC001129358893 761007832 /nfs/dbraw/zinc/00/78/32/761007832.db2.gz XUKPKSJAYYRTQG-UHFFFAOYSA-N 1 3 307.442 0.690 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(C)C)[C@@H](n2ccnn2)C1)N(C)C ZINC001070276617 761161606 /nfs/dbraw/zinc/16/16/06/761161606.db2.gz PXWYOHQIZBDIGC-ILXRZTDVSA-N 1 3 322.457 0.616 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)CCn1cncn1 ZINC001156529525 761166074 /nfs/dbraw/zinc/16/60/74/761166074.db2.gz CXQMGMYKGLJIHH-CQSZACIVSA-N 1 3 310.446 0.447 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCn1cncn1 ZINC001156529525 761166077 /nfs/dbraw/zinc/16/60/77/761166077.db2.gz CXQMGMYKGLJIHH-CQSZACIVSA-N 1 3 310.446 0.447 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC001148643147 768022709 /nfs/dbraw/zinc/02/27/09/768022709.db2.gz SELDPGDZKHLZQD-OAHLLOKOSA-N 1 3 323.437 0.474 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070501041 761279315 /nfs/dbraw/zinc/27/93/15/761279315.db2.gz WDLRZFVZRPILND-IMJJTQAJSA-N 1 3 319.453 0.664 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001148656105 768025347 /nfs/dbraw/zinc/02/53/47/768025347.db2.gz VKGTUXCCACZUMO-ZDUSSCGKSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001070629920 761361953 /nfs/dbraw/zinc/36/19/53/761361953.db2.gz WVALPKNFAULMBS-KFWWJZLASA-N 1 3 319.453 0.807 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070754682 761432367 /nfs/dbraw/zinc/43/23/67/761432367.db2.gz QMXORQZBIFGDKS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070754682 761432372 /nfs/dbraw/zinc/43/23/72/761432372.db2.gz QMXORQZBIFGDKS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001071053905 761602122 /nfs/dbraw/zinc/60/21/22/761602122.db2.gz PRGSBIJCGUSMQZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001071053905 761602126 /nfs/dbraw/zinc/60/21/26/761602126.db2.gz PRGSBIJCGUSMQZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)c(F)c1 ZINC001238879080 770140412 /nfs/dbraw/zinc/14/04/12/770140412.db2.gz OHLQJUHJULHREL-UHFFFAOYSA-N 1 3 303.403 0.741 20 0 DCADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NC1CCCC1)C1CC1 ZINC001129435632 762942856 /nfs/dbraw/zinc/94/28/56/762942856.db2.gz IEPPNCKAJRYUJN-HNNXBMFYSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129442499 762945034 /nfs/dbraw/zinc/94/50/34/762945034.db2.gz BDXUURPSTPDAQV-OCCSQVGLSA-N 1 3 312.458 0.288 20 0 DCADHO CN(CC(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)C1CCC1 ZINC001129526677 762951854 /nfs/dbraw/zinc/95/18/54/762951854.db2.gz NRQASKGWUJQMKR-UHFFFAOYSA-N 1 3 306.410 0.075 20 0 DCADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137318 763146465 /nfs/dbraw/zinc/14/64/65/763146465.db2.gz SQQRMGAOXYHHLA-KGLIPLIRSA-N 1 3 308.430 0.368 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186563 763165339 /nfs/dbraw/zinc/16/53/39/763165339.db2.gz ISJAPANUMDBBEQ-JKSUJKDBSA-N 1 3 319.453 0.951 20 0 DCADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186563 763165344 /nfs/dbraw/zinc/16/53/44/763165344.db2.gz ISJAPANUMDBBEQ-JKSUJKDBSA-N 1 3 319.453 0.951 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157944861 763243694 /nfs/dbraw/zinc/24/36/94/763243694.db2.gz KNELNEGFCNSQOB-DZKIICNBSA-N 1 3 315.458 0.074 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001130427673 763298700 /nfs/dbraw/zinc/29/87/00/763298700.db2.gz RGCXDUSUNGKJPQ-LLVKDONJSA-N 1 3 307.385 0.847 20 0 DCADHO CCCC[C@@H](NCCNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001130810684 763502917 /nfs/dbraw/zinc/50/29/17/763502917.db2.gz ZFQHUUVPKYTGKF-CYBMUJFWSA-N 1 3 310.442 0.365 20 0 DCADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1)C1CC1 ZINC001100407694 763557260 /nfs/dbraw/zinc/55/72/60/763557260.db2.gz FWNRQMDGMFIIAV-PXCJXSSVSA-N 1 3 322.453 0.043 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100651977 763703243 /nfs/dbraw/zinc/70/32/43/763703243.db2.gz SDSQYMMQRUQYQI-SSDMNJCBSA-N 1 3 312.458 0.193 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3cncn3C)C2)C1 ZINC001100678161 763718536 /nfs/dbraw/zinc/71/85/36/763718536.db2.gz AXOAQAZZDGJLNK-NFOMZHRRSA-N 1 3 319.453 0.746 20 0 DCADHO CC/C=C/CC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519833 763843981 /nfs/dbraw/zinc/84/39/81/763843981.db2.gz KQSNNCLOEJUANQ-HYZIDRDOSA-N 1 3 307.438 0.912 20 0 DCADHO O=C(NCC[NH2+]CC1CCCC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520470 763844103 /nfs/dbraw/zinc/84/41/03/763844103.db2.gz YXAYMGWZMXUVBI-CKDBGZEDSA-N 1 3 307.438 0.746 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100899808 763846745 /nfs/dbraw/zinc/84/67/45/763846745.db2.gz BMDRIYJQEUTJAO-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)N(C)C ZINC001131844570 764061295 /nfs/dbraw/zinc/06/12/95/764061295.db2.gz JVIIWHQSAYWVGD-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)C1(CC(=O)NCCNCC(=O)NCC2CC2)CCCC1 ZINC001131835061 764071523 /nfs/dbraw/zinc/07/15/23/764071523.db2.gz MEUDGIVQAUHACJ-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCn1cccn1 ZINC001132265383 764343439 /nfs/dbraw/zinc/34/34/39/764343439.db2.gz LYZKEGARIMXJTQ-LSDHHAIUSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479034 764452759 /nfs/dbraw/zinc/45/27/59/764452759.db2.gz OXIXNUVORCKBBZ-UKRRQHHQSA-N 1 3 315.433 0.439 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098479034 764452763 /nfs/dbraw/zinc/45/27/63/764452763.db2.gz OXIXNUVORCKBBZ-UKRRQHHQSA-N 1 3 315.433 0.439 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102601032 764719999 /nfs/dbraw/zinc/71/99/99/764719999.db2.gz HKBDKRSIECAVKB-KFWWJZLASA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102601032 764720003 /nfs/dbraw/zinc/72/00/03/764720003.db2.gz HKBDKRSIECAVKB-KFWWJZLASA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992852 764781486 /nfs/dbraw/zinc/78/14/86/764781486.db2.gz GWZDFKCOEVJOJI-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001132994955 764781987 /nfs/dbraw/zinc/78/19/87/764781987.db2.gz HNFDLYASXRRECJ-LBPRGKRZSA-N 1 3 312.458 0.337 20 0 DCADHO C[NH+]1CCC(C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001133281931 764900989 /nfs/dbraw/zinc/90/09/89/764900989.db2.gz UEBKWBZUHYUDGG-OAHLLOKOSA-N 1 3 322.453 0.187 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285627 764905833 /nfs/dbraw/zinc/90/58/33/764905833.db2.gz AKJPQRWKHITPHW-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)CC[C@H](C)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291677 764909719 /nfs/dbraw/zinc/90/97/19/764909719.db2.gz VXLBROOBMCAJQP-AWEZNQCLSA-N 1 3 314.474 0.585 20 0 DCADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090308 764939850 /nfs/dbraw/zinc/93/98/50/764939850.db2.gz QLUGUMHSEYHGEM-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090308 764939857 /nfs/dbraw/zinc/93/98/57/764939857.db2.gz QLUGUMHSEYHGEM-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415709 764956992 /nfs/dbraw/zinc/95/69/92/764956992.db2.gz LBGBBPHZOUYGCZ-TZMCWYRMSA-N 1 3 300.447 0.193 20 0 DCADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O)[NH+](C)C ZINC001133434218 764967984 /nfs/dbraw/zinc/96/79/84/764967984.db2.gz LVSYFGJWMCDKOG-HUUCEWRRSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCO[C@H]2CC2(F)F)C1 ZINC001133846388 765179831 /nfs/dbraw/zinc/17/98/31/765179831.db2.gz ZXKQQVJBIJOTIU-NEPJUHHUSA-N 1 3 305.369 0.458 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849941 765182671 /nfs/dbraw/zinc/18/26/71/765182671.db2.gz HUPQSVKLNNYGBL-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849941 765182675 /nfs/dbraw/zinc/18/26/75/765182675.db2.gz HUPQSVKLNNYGBL-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCOCC(F)F)CC(C)(C)C ZINC001133906490 765220011 /nfs/dbraw/zinc/22/00/11/765220011.db2.gz YEZBAYVLYKHRHL-UHFFFAOYSA-N 1 3 309.401 0.952 20 0 DCADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@@H]2C[C@@]23CCOC3)C1 ZINC001133896083 765213637 /nfs/dbraw/zinc/21/36/37/765213637.db2.gz CAKLSNBJRPNXCW-WMLDXEAASA-N 1 3 309.454 0.851 20 0 DCADHO CCCC[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(N)=O ZINC001133896505 765215775 /nfs/dbraw/zinc/21/57/75/765215775.db2.gz LQAGTCBHFGJMAL-ZDUSSCGKSA-N 1 3 312.458 0.468 20 0 DCADHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1)C1CC1 ZINC001112399150 765524566 /nfs/dbraw/zinc/52/45/66/765524566.db2.gz FMZKNSMFSRHCDH-LXZKKBNFSA-N 1 3 322.453 0.030 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3ccnn3C)C[C@H]21 ZINC001114996847 765548456 /nfs/dbraw/zinc/54/84/56/765548456.db2.gz GICGMCDZXOGWRW-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccnn3C)C[C@H]21 ZINC001114996847 765548465 /nfs/dbraw/zinc/54/84/65/765548465.db2.gz GICGMCDZXOGWRW-QLPKVWCKSA-N 1 3 319.453 0.351 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)C1(N(C)C)CCC1 ZINC001134584596 765580713 /nfs/dbraw/zinc/58/07/13/765580713.db2.gz VMVUQRPWESWNBS-CHWSQXEVSA-N 1 3 322.457 0.672 20 0 DCADHO C[C@H](C(=O)NCCNCc1cnn(C)c1)[NH+]1CCCCCC1 ZINC001134750066 765654632 /nfs/dbraw/zinc/65/46/32/765654632.db2.gz KWNMMNTXRGSYBT-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNCc1cncn1C ZINC001134759257 765658596 /nfs/dbraw/zinc/65/85/96/765658596.db2.gz JWLUKCPGQMGCFR-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNCc1cncn1C ZINC001134759257 765658599 /nfs/dbraw/zinc/65/85/99/765658599.db2.gz JWLUKCPGQMGCFR-HNNXBMFYSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCn1cccn1 ZINC001134766656 765662061 /nfs/dbraw/zinc/66/20/61/765662061.db2.gz KLDAXUVTIULBSK-HNNXBMFYSA-N 1 3 307.442 0.852 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124867632 768317399 /nfs/dbraw/zinc/31/73/99/768317399.db2.gz WRIAYYKQYFAPED-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)N1CCC(C)CC1 ZINC001124866764 768317952 /nfs/dbraw/zinc/31/79/52/768317952.db2.gz KMKVFVHXRDGSLP-HUUCEWRRSA-N 1 3 324.469 0.433 20 0 DCADHO COc1cncc(CN[C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001135371734 765907518 /nfs/dbraw/zinc/90/75/18/765907518.db2.gz ILAJWCNVFWHOPG-CHWSQXEVSA-N 1 3 323.441 0.810 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001135468977 765942010 /nfs/dbraw/zinc/94/20/10/765942010.db2.gz VMVQGLLEAIQKCQ-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC(C)(C)C ZINC001117048483 765965474 /nfs/dbraw/zinc/96/54/74/765965474.db2.gz JIWXDZYDAXYOJX-UHFFFAOYSA-N 1 3 314.474 0.491 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001135743271 766085467 /nfs/dbraw/zinc/08/54/67/766085467.db2.gz HSCRBXNEKXCYOF-CHWSQXEVSA-N 1 3 300.447 0.289 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001092603098 768349217 /nfs/dbraw/zinc/34/92/17/768349217.db2.gz UHEURMYDXAQZCO-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001092603098 768349225 /nfs/dbraw/zinc/34/92/25/768349225.db2.gz UHEURMYDXAQZCO-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NCc1nccn1C ZINC001135937847 766176526 /nfs/dbraw/zinc/17/65/26/766176526.db2.gz ASBFTDMEGXRYAR-KGLIPLIRSA-N 1 3 319.453 0.889 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCCC[NH+](C)C)cn1 ZINC001118385095 766305206 /nfs/dbraw/zinc/30/52/06/766305206.db2.gz WQXXIMRGPJOOSN-HZPDHXFCSA-N 1 3 321.469 0.913 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(N)=O ZINC001159932375 766308973 /nfs/dbraw/zinc/30/89/73/766308973.db2.gz PWBVNFGXALKLCJ-ZIAGYGMSSA-N 1 3 312.458 0.467 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001119355328 766643665 /nfs/dbraw/zinc/64/36/65/766643665.db2.gz SIXQUGKLMLQGKU-CQSZACIVSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](NCCCNC(=O)COCC[NH+](C)C)c1cnccn1 ZINC001171204951 767003413 /nfs/dbraw/zinc/00/34/13/767003413.db2.gz JIFBUNZNRCFFRN-ZDUSSCGKSA-N 1 3 309.414 0.212 20 0 DCADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)NCc1ccccc1 ZINC001120487595 767036661 /nfs/dbraw/zinc/03/66/61/767036661.db2.gz BPYHCVDTNZLPIG-MRXNPFEDSA-N 1 3 305.422 0.739 20 0 DCADHO O[C@H](CNCCCOCC1CCOCC1)C[NH+]1CCCC1 ZINC001120497237 767042308 /nfs/dbraw/zinc/04/23/08/767042308.db2.gz SJDHKXCICMAPKX-MRXNPFEDSA-N 1 3 300.443 0.866 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001146384914 767452412 /nfs/dbraw/zinc/45/24/12/767452412.db2.gz WSXDGPWIVDHJND-AWEZNQCLSA-N 1 3 310.442 0.091 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146711795 767509563 /nfs/dbraw/zinc/50/95/63/767509563.db2.gz XUSMOXNKIXIOBN-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146711795 767509564 /nfs/dbraw/zinc/50/95/64/767509564.db2.gz XUSMOXNKIXIOBN-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001146593559 767485384 /nfs/dbraw/zinc/48/53/84/767485384.db2.gz PZFSEQKIADZRIT-CHWSQXEVSA-N 1 3 300.447 0.288 20 0 DCADHO CCN(CC)CC(=O)NC1CC2(C1)CC([NH2+][C@@H](C)C(N)=O)C2 ZINC001121935327 767673363 /nfs/dbraw/zinc/67/33/63/767673363.db2.gz NETWAIUAFSOSHR-KWDKGFIESA-N 1 3 310.442 0.219 20 0 DCADHO CN(C(=O)CNCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001121987588 767690995 /nfs/dbraw/zinc/69/09/95/767690995.db2.gz CSQFBTBMMHTFDN-INIZCTEOSA-N 1 3 304.438 0.658 20 0 DCADHO CCC[NH+]1C[C@@H]2CN(C(=O)CNC(=O)[C@@H](N)[C@@H](C)CC)C[C@H]2C1 ZINC001161176955 768388087 /nfs/dbraw/zinc/38/80/87/768388087.db2.gz XYDKZPIHUFZMGD-NHIYQJMISA-N 1 3 324.469 0.276 20 0 DCADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092934842 768428030 /nfs/dbraw/zinc/42/80/30/768428030.db2.gz JIJKKWDLCCHLMQ-UKRRQHHQSA-N 1 3 324.469 0.101 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC)C12CCC2 ZINC001203103253 768571989 /nfs/dbraw/zinc/57/19/89/768571989.db2.gz KRSGKMLPUMWHOH-QWHCGFSZSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](O)CN1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606820 769137304 /nfs/dbraw/zinc/13/73/04/769137304.db2.gz LIMUMUYDFLIHCG-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+]CCCS(=O)(=O)CC ZINC001171770666 769372891 /nfs/dbraw/zinc/37/28/91/769372891.db2.gz WVAYHIIJNNZMOJ-UHFFFAOYSA-N 1 3 321.487 0.249 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC001171770373 769373007 /nfs/dbraw/zinc/37/30/07/769373007.db2.gz PAFNJAYAANQZCX-AWEZNQCLSA-N 1 3 314.474 0.681 20 0 DCADHO O=C1CC[C@H]2C[C@H](N3CCN(CC[NH+]4CCCC4)CC3)CCN12 ZINC001172180241 769454984 /nfs/dbraw/zinc/45/49/84/769454984.db2.gz SCNYRRYMVFTHQJ-SJORKVTESA-N 1 3 320.481 0.853 20 0 DCADHO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445707 769557578 /nfs/dbraw/zinc/55/75/78/769557578.db2.gz NNMCYXVDOCYQEE-ZDUSSCGKSA-N 1 3 314.474 0.726 20 0 DCADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173736673 769705455 /nfs/dbraw/zinc/70/54/55/769705455.db2.gz GKEKHWUZFMFIFS-HZPDHXFCSA-N 1 3 321.473 0.772 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC ZINC001175769627 769959347 /nfs/dbraw/zinc/95/93/47/769959347.db2.gz SJOAATCDOJNSGU-CYBMUJFWSA-N 1 3 300.447 0.339 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001176350509 770090583 /nfs/dbraw/zinc/09/05/83/770090583.db2.gz FZZYAMVJJUYVRD-AAEUAGOBSA-N 1 3 323.441 0.660 20 0 DCADHO CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C)C(N)=O ZINC001176352159 770091288 /nfs/dbraw/zinc/09/12/88/770091288.db2.gz ZSUZYJVRZKHDAN-WCQYABFASA-N 1 3 323.441 0.789 20 0 DCADHO NCCS(=O)(=O)NCC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001238826753 770133067 /nfs/dbraw/zinc/13/30/67/770133067.db2.gz DQKXPQYMVIIRFG-UHFFFAOYSA-N 1 3 315.414 0.325 20 0 DCADHO NCCS(=O)(=O)N[C@H](c1ccccc1F)C1CC[NH2+]CC1 ZINC001238833378 770134296 /nfs/dbraw/zinc/13/42/96/770134296.db2.gz BINWNUHSYVEMEY-AWEZNQCLSA-N 1 3 315.414 0.745 20 0 DCADHO COc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cc1 ZINC001238880195 770141784 /nfs/dbraw/zinc/14/17/84/770141784.db2.gz XXXXZJJGGVSCBD-UHFFFAOYSA-N 1 3 301.412 0.302 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+][C@H]1CCNC1=O ZINC001176754649 770168259 /nfs/dbraw/zinc/16/82/59/770168259.db2.gz XMQNHPXUXXAXEX-KGLIPLIRSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176754187 770168823 /nfs/dbraw/zinc/16/88/23/770168823.db2.gz SROQRVBIMMOCHY-ZDUSSCGKSA-N 1 3 300.447 0.337 20 0 DCADHO NCCC[NH2+]CCCNC(=O)Nc1ccc2c(c1)OCCO2 ZINC001239253124 770202787 /nfs/dbraw/zinc/20/27/87/770202787.db2.gz OMXBXPYTSMBLAE-UHFFFAOYSA-N 1 3 308.382 0.908 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890120 770212475 /nfs/dbraw/zinc/21/24/75/770212475.db2.gz NBSCUJMNTXCLNJ-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO COC[C@H](O)C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948463 770249815 /nfs/dbraw/zinc/24/98/15/770249815.db2.gz YFUDWHVUUXRGKS-OAHLLOKOSA-N 1 3 323.437 0.465 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001176947997 770249855 /nfs/dbraw/zinc/24/98/55/770249855.db2.gz BSQTYMAXJKVZAC-HNNXBMFYSA-N 1 3 318.421 0.346 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001176980678 770268409 /nfs/dbraw/zinc/26/84/09/770268409.db2.gz OXDHSWODISCAEV-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CCOc2cc(C(=O)N(CCCC[NH3+])C(=N)N)ccc21 ZINC001154728992 770278643 /nfs/dbraw/zinc/27/86/43/770278643.db2.gz WDGWYPQNJAAKIG-UHFFFAOYSA-N 1 3 305.382 0.590 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCCCN2CC)C1=O ZINC001176991488 770280335 /nfs/dbraw/zinc/28/03/35/770280335.db2.gz CHWUHHCFHWNUPM-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c2c(nn1C)CCC2 ZINC001154846669 770313227 /nfs/dbraw/zinc/31/32/27/770313227.db2.gz SOZLPSMROOBMOR-UHFFFAOYSA-N 1 3 306.414 0.586 20 0 DCADHO CCOCCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150707453 770446694 /nfs/dbraw/zinc/44/66/94/770446694.db2.gz YMSAVBQKWVITKL-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CCOCCN1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001150707453 770446703 /nfs/dbraw/zinc/44/67/03/770446703.db2.gz YMSAVBQKWVITKL-LSDHHAIUSA-N 1 3 313.442 0.182 20 0 DCADHO CN1CCc2nc(Cl)nc(-n3ccc(C[NH3+])cc3=N)c2C1 ZINC001156855981 770945680 /nfs/dbraw/zinc/94/56/80/770945680.db2.gz KMYMYUWZWFCJMU-UHFFFAOYSA-N 1 3 304.785 0.847 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435168 771003804 /nfs/dbraw/zinc/00/38/04/771003804.db2.gz MACJXTSOTZWOQY-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179434893 771004443 /nfs/dbraw/zinc/00/44/43/771004443.db2.gz CEXJPVCZDWKMEE-AGIUHOORSA-N 1 3 310.442 0.042 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cncn2C)[C@@H]1C ZINC001179764228 771013239 /nfs/dbraw/zinc/01/32/39/771013239.db2.gz UYYVWPCEUYDQTN-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CC)CC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001179851003 771023310 /nfs/dbraw/zinc/02/33/10/771023310.db2.gz QPJARCAGQGOERT-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)[C@@H]1C ZINC001179982695 771042476 /nfs/dbraw/zinc/04/24/76/771042476.db2.gz CXBAVYGSGVVKEQ-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CN1CCC[C@](C)(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180611074 771149281 /nfs/dbraw/zinc/14/92/81/771149281.db2.gz AGBQFYACEWMRPV-INIZCTEOSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@H](CO)c1ccccc1 ZINC001181927965 771371983 /nfs/dbraw/zinc/37/19/83/771371983.db2.gz KHLHINGVLIXBRW-CQSZACIVSA-N 1 3 306.410 0.826 20 0 DCADHO CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240484 771627949 /nfs/dbraw/zinc/62/79/49/771627949.db2.gz HSKOTVGPEKCEFZ-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267274 771630858 /nfs/dbraw/zinc/63/08/58/771630858.db2.gz LQTSSCQPGWAJDC-HIFRSBDPSA-N 1 3 310.442 0.042 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2cnccc2C1 ZINC001157567890 771633816 /nfs/dbraw/zinc/63/38/16/771633816.db2.gz PLONCGXULMQGKG-HNNXBMFYSA-N 1 3 300.406 0.841 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2cnccc2C1 ZINC001157567890 771633820 /nfs/dbraw/zinc/63/38/20/771633820.db2.gz PLONCGXULMQGKG-HNNXBMFYSA-N 1 3 300.406 0.841 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCc2cnccc2C1 ZINC001157567891 771634307 /nfs/dbraw/zinc/63/43/07/771634307.db2.gz PLONCGXULMQGKG-OAHLLOKOSA-N 1 3 300.406 0.841 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCc2cnccc2C1 ZINC001157567891 771634309 /nfs/dbraw/zinc/63/43/09/771634309.db2.gz PLONCGXULMQGKG-OAHLLOKOSA-N 1 3 300.406 0.841 20 0 DCADHO CN(C[C@H]1CNCCO1)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001157716930 771657587 /nfs/dbraw/zinc/65/75/87/771657587.db2.gz TYQUMUBETFVPGR-MRXNPFEDSA-N 1 3 317.433 0.755 20 0 DCADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157747501 771663451 /nfs/dbraw/zinc/66/34/51/771663451.db2.gz UMOSSUMWAMRJJH-SLEUVZQESA-N 1 3 314.405 0.004 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC001157969757 771704926 /nfs/dbraw/zinc/70/49/26/771704926.db2.gz NNJVAEMZZDUCKI-UONOGXRCSA-N 1 3 308.451 0.179 20 0 DCADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199392 771739547 /nfs/dbraw/zinc/73/95/47/771739547.db2.gz XKIJKWKOKSPJBH-HRCADAONSA-N 1 3 303.406 0.754 20 0 DCADHO C[C@]1(C(=O)N2C[C@H]3c4ccccc4CN[C@@H]3C2)CC[NH2+]C[C@H]1O ZINC001158328208 771760562 /nfs/dbraw/zinc/76/05/62/771760562.db2.gz WMCQDZYTGGTLHO-LHHMISFZSA-N 1 3 315.417 0.445 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cnnn2C)CC[N@@H+]1C ZINC001158404568 771770057 /nfs/dbraw/zinc/77/00/57/771770057.db2.gz WFBUJDQDXMDWTJ-UONOGXRCSA-N 1 3 308.430 0.141 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2cnnn2C)CC[N@H+]1C ZINC001158404568 771770061 /nfs/dbraw/zinc/77/00/61/771770061.db2.gz WFBUJDQDXMDWTJ-UONOGXRCSA-N 1 3 308.430 0.141 20 0 DCADHO C[C@@H](NCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cnccn1 ZINC001158428301 771773400 /nfs/dbraw/zinc/77/34/00/771773400.db2.gz CBNNMZQZANYGSQ-MGPQQGTHSA-N 1 3 305.426 0.974 20 0 DCADHO C[C@@H](NCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cnccn1 ZINC001158428301 771773402 /nfs/dbraw/zinc/77/34/02/771773402.db2.gz CBNNMZQZANYGSQ-MGPQQGTHSA-N 1 3 305.426 0.974 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CC1CCC1 ZINC001158499517 771784053 /nfs/dbraw/zinc/78/40/53/771784053.db2.gz ZUYFUSNWPJYKCZ-XDQVBPFNSA-N 1 3 309.410 0.256 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001184555433 771798269 /nfs/dbraw/zinc/79/82/69/771798269.db2.gz LDWOLTVCCSZHQY-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185205072 771878979 /nfs/dbraw/zinc/87/89/79/771878979.db2.gz MFLWDZLUXWSIFG-STQMWFEESA-N 1 3 321.425 0.163 20 0 DCADHO C[C@H](Nc1cccc(N2CCN(C)CC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159499391 771920027 /nfs/dbraw/zinc/92/00/27/771920027.db2.gz PPFNONPONWDMJQ-KBPBESRZSA-N 1 3 305.426 0.622 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650808 771940200 /nfs/dbraw/zinc/94/02/00/771940200.db2.gz OFYZMBLQDAPAGE-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650808 771940203 /nfs/dbraw/zinc/94/02/03/771940203.db2.gz OFYZMBLQDAPAGE-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001185660055 771941436 /nfs/dbraw/zinc/94/14/36/771941436.db2.gz WVDPZCWAHZEJNX-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC(C)(C)C)C1 ZINC001185660055 771941437 /nfs/dbraw/zinc/94/14/37/771941437.db2.gz WVDPZCWAHZEJNX-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO COc1cc(CNCCCNC(=O)[C@H](C2CC2)[NH+](C)C)on1 ZINC001159933108 771980797 /nfs/dbraw/zinc/98/07/97/771980797.db2.gz ZLZZFISRLPQBKJ-AWEZNQCLSA-N 1 3 310.398 0.619 20 0 DCADHO CN(CC1CC1)C(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997580 771986612 /nfs/dbraw/zinc/98/66/12/771986612.db2.gz SKYVPWHGAXLCOV-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997293 771986865 /nfs/dbraw/zinc/98/68/65/771986865.db2.gz KNOBTMGGYGBMML-UHFFFAOYSA-N 1 3 307.442 0.809 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001186090548 772002748 /nfs/dbraw/zinc/00/27/48/772002748.db2.gz NISCBJJCYVXMIV-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001186459513 772047574 /nfs/dbraw/zinc/04/75/74/772047574.db2.gz WXOKSOBLKFYOPU-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO Cc1nc([C@H]2CCCCN2C(=O)[C@@H](N)C2CC[NH2+]CC2)no1 ZINC001160548362 772063170 /nfs/dbraw/zinc/06/31/70/772063170.db2.gz DSQVFLRVYMVSJV-OLZOCXBDSA-N 1 3 307.398 0.759 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N1CCc2nc(Cl)ncc2C1 ZINC001160575861 772069973 /nfs/dbraw/zinc/06/99/73/772069973.db2.gz LJVCGFDVZOPWTJ-VIFPVBQESA-N 1 3 315.830 0.034 20 0 DCADHO Cc1ccnc(N2CCN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H](N)C4)CC2)c1 ZINC001160601904 772076761 /nfs/dbraw/zinc/07/67/61/772076761.db2.gz GHHNSUWVHOCYBR-CPUCHLNUSA-N 1 3 315.421 0.260 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](N)Cc1cccc(O)c1 ZINC001160837093 772118713 /nfs/dbraw/zinc/11/87/13/772118713.db2.gz BGZRHJSSFZNFBL-UKRRQHHQSA-N 1 3 307.394 0.051 20 0 DCADHO C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@](C)(N)Cc1ccc(F)cc1 ZINC001160837929 772119744 /nfs/dbraw/zinc/11/97/44/772119744.db2.gz GCCDGYRALOXSEE-WBVHZDCISA-N 1 3 323.412 0.875 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)CC)N(C)C ZINC001160882948 772132070 /nfs/dbraw/zinc/13/20/70/772132070.db2.gz BVASAVSJTFSWQP-QWHCGFSZSA-N 1 3 300.447 0.337 20 0 DCADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@@H]21 ZINC001160882494 772132206 /nfs/dbraw/zinc/13/22/06/772132206.db2.gz BZDJMNIDDMEROE-RQJABVFESA-N 1 3 321.421 0.128 20 0 DCADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@@H]21 ZINC001160882494 772132211 /nfs/dbraw/zinc/13/22/11/772132211.db2.gz BZDJMNIDDMEROE-RQJABVFESA-N 1 3 321.421 0.128 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCCO[C@H]1CCOC1)N(C)C ZINC001160889740 772132814 /nfs/dbraw/zinc/13/28/14/772132814.db2.gz RAJXCPATRWYZIB-LSDHHAIUSA-N 1 3 315.458 0.618 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187084062 772134422 /nfs/dbraw/zinc/13/44/22/772134422.db2.gz XEYVBWRORVVWRL-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187084062 772134426 /nfs/dbraw/zinc/13/44/26/772134426.db2.gz XEYVBWRORVVWRL-HUUCEWRRSA-N 1 3 324.469 0.291 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)cn1 ZINC001187122527 772138207 /nfs/dbraw/zinc/13/82/07/772138207.db2.gz VXXDFRDPRRJILF-OAHLLOKOSA-N 1 3 321.425 0.054 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187241342 772152021 /nfs/dbraw/zinc/15/20/21/772152021.db2.gz XBGYVTHCMAXTMC-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161026705 772152847 /nfs/dbraw/zinc/15/28/47/772152847.db2.gz WRJIBLRHJDTXGA-UONOGXRCSA-N 1 3 305.378 0.179 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001161251033 772191268 /nfs/dbraw/zinc/19/12/68/772191268.db2.gz JFNBLAVUYSHMKT-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCn1nc(C)nc1C ZINC001161251688 772191369 /nfs/dbraw/zinc/19/13/69/772191369.db2.gz VDVKXZPBHMBMGR-UHFFFAOYSA-N 1 3 324.473 0.721 20 0 DCADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161411908 772219565 /nfs/dbraw/zinc/21/95/65/772219565.db2.gz CHTZOGYRWYMLOF-RNJOBUHISA-N 1 3 311.426 0.502 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187835393 772232127 /nfs/dbraw/zinc/23/21/27/772232127.db2.gz WGVGLXZHQJNTOP-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO [NH3+][C@H]1CN(C(=O)c2csc([C@@H]3CCCN3)n2)CC12COC2 ZINC001161509838 772236862 /nfs/dbraw/zinc/23/68/62/772236862.db2.gz LJNTVFPDQADAPH-ONGXEEELSA-N 1 3 308.407 0.367 20 0 DCADHO NC[C@H](N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577048 772247724 /nfs/dbraw/zinc/24/77/24/772247724.db2.gz UDVBPWWNUOAPJW-BBWFWOEESA-N 1 3 316.449 0.643 20 0 DCADHO NC[C@H](N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161577048 772247727 /nfs/dbraw/zinc/24/77/27/772247727.db2.gz UDVBPWWNUOAPJW-BBWFWOEESA-N 1 3 316.449 0.643 20 0 DCADHO NC[C@H](N)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577050 772247928 /nfs/dbraw/zinc/24/79/28/772247928.db2.gz UDVBPWWNUOAPJW-IKGGRYGDSA-N 1 3 316.449 0.643 20 0 DCADHO NC[C@H](N)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161577050 772247931 /nfs/dbraw/zinc/24/79/31/772247931.db2.gz UDVBPWWNUOAPJW-IKGGRYGDSA-N 1 3 316.449 0.643 20 0 DCADHO CN1CCN(CCCNc2[nH+]ncc3c2OCCN3C)CC1 ZINC001161703302 772268590 /nfs/dbraw/zinc/26/85/90/772268590.db2.gz BZJHSQUHBGEWQH-UHFFFAOYSA-N 1 3 306.414 0.355 20 0 DCADHO CC[C@@H](F)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872146 772427157 /nfs/dbraw/zinc/42/71/57/772427157.db2.gz HYGVVIGUVDXTRD-IQXANGCESA-N 1 3 313.417 0.694 20 0 DCADHO c1cc2c(nc1NCC[C@@H]1CCOC13C[NH2+]C3)OCCNC2 ZINC001163082164 772456851 /nfs/dbraw/zinc/45/68/51/772456851.db2.gz PTLUPQNHFCNVQO-CYBMUJFWSA-N 1 3 304.394 0.744 20 0 DCADHO O=c1[nH]cc2[nH]c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)ccc1-2 ZINC001163272297 772497043 /nfs/dbraw/zinc/49/70/43/772497043.db2.gz VDOJHUZNFWRXBO-BZNIZROVSA-N 1 3 302.378 0.896 20 0 DCADHO CCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001163821799 772578297 /nfs/dbraw/zinc/57/82/97/772578297.db2.gz QFPKFXGZIRVRBT-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC(C)OCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149437 772590663 /nfs/dbraw/zinc/59/06/63/772590663.db2.gz ZATGBLFGZPIQRG-ARFHVFGLSA-N 1 3 309.454 0.896 20 0 DCADHO CC(C)OCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149437 772590666 /nfs/dbraw/zinc/59/06/66/772590666.db2.gz ZATGBLFGZPIQRG-ARFHVFGLSA-N 1 3 309.454 0.896 20 0 DCADHO COC(=O)c1cnccc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164217090 772627654 /nfs/dbraw/zinc/62/76/54/772627654.db2.gz QCPWMOYLSMPFJF-UHFFFAOYSA-N 1 3 306.410 0.728 20 0 DCADHO CN1CCc2nc(Cl)nc(-n3cnc4c3C[NH2+]CC4)c2C1 ZINC001164317712 772645264 /nfs/dbraw/zinc/64/52/64/772645264.db2.gz WZUUZRYGWWERHT-UHFFFAOYSA-N 1 3 304.785 0.949 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)o1 ZINC001164538401 772676116 /nfs/dbraw/zinc/67/61/16/772676116.db2.gz GAOIGUXAZLNEFM-CQSZACIVSA-N 1 3 324.425 0.688 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)o1 ZINC001164538401 772676117 /nfs/dbraw/zinc/67/61/17/772676117.db2.gz GAOIGUXAZLNEFM-CQSZACIVSA-N 1 3 324.425 0.688 20 0 DCADHO COC(=O)[C@H]1C[C@H]([NH3+])CN1c1ccc(CN2CCCC2)cn1 ZINC001165126548 772698760 /nfs/dbraw/zinc/69/87/60/772698760.db2.gz JJFHAMDAHDQZJS-UONOGXRCSA-N 1 3 304.394 0.756 20 0 DCADHO COC(=O)[C@H]1C[C@@H]([NH3+])CN1c1ccc(CN2CCCC2)cn1 ZINC001165126549 772698874 /nfs/dbraw/zinc/69/88/74/772698874.db2.gz JJFHAMDAHDQZJS-ZIAGYGMSSA-N 1 3 304.394 0.756 20 0 DCADHO CN(CC(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC001165492646 772742764 /nfs/dbraw/zinc/74/27/64/772742764.db2.gz XRFFPUWYACJXNK-AWEZNQCLSA-N 1 3 322.453 0.235 20 0 DCADHO COc1ccc(CNCCCNC(=O)C2CC[NH+](C)CC2)nn1 ZINC001165771889 772761209 /nfs/dbraw/zinc/76/12/09/772761209.db2.gz DYJIASRBJSVONJ-UHFFFAOYSA-N 1 3 321.425 0.423 20 0 DCADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1)N(C)C ZINC001166004370 772778191 /nfs/dbraw/zinc/77/81/91/772778191.db2.gz NROFUGOKFFMQFT-OAHLLOKOSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)CNC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166627239 772831054 /nfs/dbraw/zinc/83/10/54/772831054.db2.gz SYDCMXIBKZRDHS-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001166668067 772837692 /nfs/dbraw/zinc/83/76/92/772837692.db2.gz PXVOELWQEJHVNN-CQSZACIVSA-N 1 3 310.442 0.047 20 0 DCADHO CN(CC(=O)NCCC[NH2+]CCn1cccn1)CC(C)(C)C ZINC001166744327 772855472 /nfs/dbraw/zinc/85/54/72/772855472.db2.gz QNRDDESGCGNHCA-UHFFFAOYSA-N 1 3 309.458 0.957 20 0 DCADHO CCCC[C@@H]([NH2+]CCCNC(=O)[C@H](CC)N(C)C)C(N)=O ZINC001166851778 772870782 /nfs/dbraw/zinc/87/07/82/772870782.db2.gz GZVAMKUOAZOYCL-OLZOCXBDSA-N 1 3 300.447 0.467 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C ZINC001166866768 772872679 /nfs/dbraw/zinc/87/26/79/772872679.db2.gz UDQGEIAIACPVCN-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204799283 772962725 /nfs/dbraw/zinc/96/27/25/772962725.db2.gz VSZQLEKVXUADOW-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO N[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@H]1F ZINC001204824397 772964222 /nfs/dbraw/zinc/96/42/22/772964222.db2.gz RLEGGRZDSKSPKD-KGLIPLIRSA-N 1 3 318.400 0.677 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCOCCOC)C1 ZINC001193289927 773040295 /nfs/dbraw/zinc/04/02/95/773040295.db2.gz BUWVLHSIXXUUAX-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCOCCOC)C1 ZINC001193289927 773040300 /nfs/dbraw/zinc/04/03/00/773040300.db2.gz BUWVLHSIXXUUAX-OAHLLOKOSA-N 1 3 315.458 0.524 20 0 DCADHO O=C(C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)N1CCC1 ZINC001206401124 773073796 /nfs/dbraw/zinc/07/37/96/773073796.db2.gz BBFDCUQQCHZEKF-UHFFFAOYSA-N 1 3 319.409 0.013 20 0 DCADHO CN(CCOCCO)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193561121 773084611 /nfs/dbraw/zinc/08/46/11/773084611.db2.gz WCDUSLOCNCFPPC-HNNXBMFYSA-N 1 3 315.458 0.260 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC001193609422 773085746 /nfs/dbraw/zinc/08/57/46/773085746.db2.gz AJILHQXALHXZHE-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC001193609422 773085749 /nfs/dbraw/zinc/08/57/49/773085749.db2.gz AJILHQXALHXZHE-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687194 773270074 /nfs/dbraw/zinc/27/00/74/773270074.db2.gz BELZPUOQVVBRQN-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070780 773394675 /nfs/dbraw/zinc/39/46/75/773394675.db2.gz RNIVMYMWJRILTL-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070780 773394682 /nfs/dbraw/zinc/39/46/82/773394682.db2.gz RNIVMYMWJRILTL-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO CN(CC1CC1)C(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152223508 773430475 /nfs/dbraw/zinc/43/04/75/773430475.db2.gz MLRJRKLGRHJDDJ-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208330877 773435746 /nfs/dbraw/zinc/43/57/46/773435746.db2.gz HIARGJBGMNYYNO-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208454044 773466577 /nfs/dbraw/zinc/46/65/77/773466577.db2.gz RJCZRLKMFNWYJT-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@H]1O ZINC001195859027 773486446 /nfs/dbraw/zinc/48/64/46/773486446.db2.gz BFKGNDFAJNEJCI-YNEHKIRRSA-N 1 3 319.396 0.535 20 0 DCADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208918818 773539244 /nfs/dbraw/zinc/53/92/44/773539244.db2.gz KWUCMGXVOQKDAC-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252329 773564568 /nfs/dbraw/zinc/56/45/68/773564568.db2.gz YSKNSOXMEYSCEB-RBSFLKMASA-N 1 3 313.442 0.057 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)N(C)C ZINC001209304776 773587744 /nfs/dbraw/zinc/58/77/44/773587744.db2.gz UFLUGZLPEXCJNW-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001209315204 773589885 /nfs/dbraw/zinc/58/98/85/773589885.db2.gz ORWVWUUUCCMZFN-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001209314995 773589993 /nfs/dbraw/zinc/58/99/93/773589993.db2.gz NKVMTMNKIFNPKB-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408729 773602435 /nfs/dbraw/zinc/60/24/35/773602435.db2.gz WWGYAZCMMJDSNN-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N1CC[C@@H](N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209444724 773605233 /nfs/dbraw/zinc/60/52/33/773605233.db2.gz IDHHRQUVHCGPPJ-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CN(C(=O)CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001209446781 773606486 /nfs/dbraw/zinc/60/64/86/773606486.db2.gz VFMAYBHOCOOBNI-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001209633414 773627152 /nfs/dbraw/zinc/62/71/52/773627152.db2.gz USXMQBRYZAQTSR-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951157 773662169 /nfs/dbraw/zinc/66/21/69/773662169.db2.gz JFZWOMVANBKZOU-ZFWWWQNUSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NCC2CC2)C1 ZINC001210483302 773712075 /nfs/dbraw/zinc/71/20/75/773712075.db2.gz WSBDSNCHITZNSS-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NCC2CC2)C1 ZINC001210483302 773712079 /nfs/dbraw/zinc/71/20/79/773712079.db2.gz WSBDSNCHITZNSS-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001210751253 773735260 /nfs/dbraw/zinc/73/52/60/773735260.db2.gz WOLACDFFTVPNNC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064193 773764810 /nfs/dbraw/zinc/76/48/10/773764810.db2.gz JSNXKETWFMBREW-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064193 773764815 /nfs/dbraw/zinc/76/48/15/773764815.db2.gz JSNXKETWFMBREW-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211071685 773766709 /nfs/dbraw/zinc/76/67/09/773766709.db2.gz LCHNBHZSCHGOIZ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211071685 773766714 /nfs/dbraw/zinc/76/67/14/773766714.db2.gz LCHNBHZSCHGOIZ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211228563 773783194 /nfs/dbraw/zinc/78/31/94/773783194.db2.gz CTJGUPYWSMFOOV-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211262345 773787354 /nfs/dbraw/zinc/78/73/54/773787354.db2.gz PAOVIUSAHSOTLJ-GOEBONIOSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001211282416 773790355 /nfs/dbraw/zinc/79/03/55/773790355.db2.gz AHYVQUOFDZLSGX-ZFWWWQNUSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)CCCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819633 773811469 /nfs/dbraw/zinc/81/14/69/773811469.db2.gz IHCDAIUSEFAEKF-HUUCEWRRSA-N 1 3 309.454 0.680 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC)C[C@H]1O ZINC001198038834 773848424 /nfs/dbraw/zinc/84/84/24/773848424.db2.gz VKANVIDPOQAUGM-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOCC)C[C@H]1O ZINC001198038834 773848429 /nfs/dbraw/zinc/84/84/29/773848429.db2.gz VKANVIDPOQAUGM-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1O ZINC001198038486 773848835 /nfs/dbraw/zinc/84/88/35/773848835.db2.gz TVJKVSORMHVFSK-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1O ZINC001198038486 773848838 /nfs/dbraw/zinc/84/88/38/773848838.db2.gz TVJKVSORMHVFSK-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCCNC(=O)CNCCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393575 773850407 /nfs/dbraw/zinc/85/04/07/773850407.db2.gz PWHPXKAPVFBUEF-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446105 773908063 /nfs/dbraw/zinc/90/80/63/773908063.db2.gz UIKJCFSTRGCJFT-ZDUSSCGKSA-N 1 3 300.447 0.289 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1 ZINC001214779840 774013937 /nfs/dbraw/zinc/01/39/37/774013937.db2.gz AHTWSXMLANBIFC-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1 ZINC001214779840 774013941 /nfs/dbraw/zinc/01/39/41/774013941.db2.gz AHTWSXMLANBIFC-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214890241 774022199 /nfs/dbraw/zinc/02/21/99/774022199.db2.gz TUNKVNFWGXZCTI-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890241 774022206 /nfs/dbraw/zinc/02/22/06/774022206.db2.gz TUNKVNFWGXZCTI-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1)N(C)C ZINC001214952634 774028776 /nfs/dbraw/zinc/02/87/76/774028776.db2.gz FOLJNNWUROMJNA-RBSFLKMASA-N 1 3 315.458 0.426 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001203925459 774030001 /nfs/dbraw/zinc/03/00/01/774030001.db2.gz OEWDUSDMUJXDLR-ZDUSSCGKSA-N 1 3 312.458 0.384 20 0 DCADHO CCCNC(=O)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925918 774035407 /nfs/dbraw/zinc/03/54/07/774035407.db2.gz ZPNQZHLQLGVHEH-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298747 774056694 /nfs/dbraw/zinc/05/66/94/774056694.db2.gz FWGYJSJPJYDCFQ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215299178 774056922 /nfs/dbraw/zinc/05/69/22/774056922.db2.gz ZUVWNMNAMJFXBP-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCN1CC[NH2+]CC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402225059 774080003 /nfs/dbraw/zinc/08/00/03/774080003.db2.gz AGYRHFVJGBHIMR-INIZCTEOSA-N 1 3 318.421 0.135 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215536382 774081676 /nfs/dbraw/zinc/08/16/76/774081676.db2.gz PILKIMIUJXHSIC-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001215536599 774081937 /nfs/dbraw/zinc/08/19/37/774081937.db2.gz URUCCDUFESLWCJ-UMVBOHGHSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CC2)C1)N(C)C ZINC001215571846 774083598 /nfs/dbraw/zinc/08/35/98/774083598.db2.gz XNAOUUCTBJAVHG-YUELXQCFSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1N[C@H]1CCNC1=O ZINC001216465020 774118490 /nfs/dbraw/zinc/11/84/90/774118490.db2.gz WTBJAIDDIHXHMO-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001216853774 774143396 /nfs/dbraw/zinc/14/33/96/774143396.db2.gz LVXXSVHFJCOEGW-UMVBOHGHSA-N 1 3 324.469 0.430 20 0 DCADHO CNC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980900 774148310 /nfs/dbraw/zinc/14/83/10/774148310.db2.gz ULLDMVWCOIYVSL-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199825890 774219197 /nfs/dbraw/zinc/21/91/97/774219197.db2.gz CTLSMQZWSAFDCX-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO N[C@H](C(=O)Nc1n[nH]cc1Br)C1CC[NH2+]CC1 ZINC001218506653 774231113 /nfs/dbraw/zinc/23/11/13/774231113.db2.gz ACEYWIHDLAACQV-QMMMGPOBSA-N 1 3 302.176 0.438 20 0 DCADHO Cn1nc(Br)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218583303 774256149 /nfs/dbraw/zinc/25/61/49/774256149.db2.gz RKEXSGNPQAQLIU-ZETCQYMHSA-N 1 3 304.192 0.577 20 0 DCADHO COC(=O)c1c[nH]c2ncc(NC(=O)[C@@H](N)CCCC[NH3+])cc12 ZINC001218613238 774262771 /nfs/dbraw/zinc/26/27/71/774262771.db2.gz HWANLVHWLGDNPQ-LBPRGKRZSA-N 1 3 319.365 0.744 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(OCc2cccnc2)n[nH]1 ZINC001218611920 774262973 /nfs/dbraw/zinc/26/29/73/774262973.db2.gz IYTBINZJTHPASJ-LBPRGKRZSA-N 1 3 318.381 0.779 20 0 DCADHO N[C@H](C(=O)Nc1cnn(C2C[NH2+]C2)c1)C1Cc2ccccc2C1 ZINC001218641990 774271076 /nfs/dbraw/zinc/27/10/76/774271076.db2.gz ZPXXCEGCWMTUKK-INIZCTEOSA-N 1 3 311.389 0.708 20 0 DCADHO COC(=O)c1c(C)scc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218666610 774277653 /nfs/dbraw/zinc/27/76/53/774277653.db2.gz BTPVILNSWCAPSV-VIFPVBQESA-N 1 3 309.391 0.591 20 0 DCADHO O=C(Nc1cc(-c2ccccc2O)no1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218711767 774286019 /nfs/dbraw/zinc/28/60/19/774286019.db2.gz DPABJSFSPDQJMF-NSHDSACASA-N 1 3 314.345 0.795 20 0 DCADHO Cc1cnn(C2CCOCC2)c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218740682 774293155 /nfs/dbraw/zinc/29/31/55/774293155.db2.gz DAZIMSWGUFFNNN-AWEZNQCLSA-N 1 3 321.425 0.808 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218752843 774297903 /nfs/dbraw/zinc/29/79/03/774297903.db2.gz YBUIADXFVSBJPP-QMMMGPOBSA-N 1 3 303.313 0.306 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC001218836961 774312946 /nfs/dbraw/zinc/31/29/46/774312946.db2.gz RRHUXZIWFSJIQU-AWEZNQCLSA-N 1 3 302.382 0.721 20 0 DCADHO O=C(Nc1cccc(-c2nnco2)c1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218860390 774316359 /nfs/dbraw/zinc/31/63/59/774316359.db2.gz RULSHWXRMSRLCL-MLGOLLRUSA-N 1 3 313.361 0.874 20 0 DCADHO NC(=O)c1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1Cl ZINC001218951614 774334024 /nfs/dbraw/zinc/33/40/24/774334024.db2.gz MPGKAHMYCJEZSC-LBPRGKRZSA-N 1 3 310.785 0.704 20 0 DCADHO O=C(Nc1cccc(Cl)c1CO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218991907 774343762 /nfs/dbraw/zinc/34/37/62/774343762.db2.gz WNENAYQXLYTPOP-MEBBXXQBSA-N 1 3 309.797 0.970 20 0 DCADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@@H]1COC2(CNC2)CN1 ZINC001218997127 774345319 /nfs/dbraw/zinc/34/53/19/774345319.db2.gz RXEYMBXNHAXKIE-ZFWWWQNUSA-N 1 3 316.405 0.032 20 0 DCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219027878 774350144 /nfs/dbraw/zinc/35/01/44/774350144.db2.gz GGLTXKKLUVJRCN-LEWSCRJBSA-N 1 3 302.378 0.057 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCCO[C@H](CNCCF)C1)[NH+](C)C ZINC001200736633 774403188 /nfs/dbraw/zinc/40/31/88/774403188.db2.gz CTNXRQKLNSMHOG-KGLIPLIRSA-N 1 3 303.422 0.749 20 0 DCADHO CN[C@H](C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1)[C@@H](C)O ZINC001219233793 774417801 /nfs/dbraw/zinc/41/78/01/774417801.db2.gz WMSUEVINJSGFLE-JMSVASOKSA-N 1 3 306.410 0.521 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053466 774445585 /nfs/dbraw/zinc/44/55/85/774445585.db2.gz PUROINGNFVTTAQ-SMDDNHRTSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)N(C)CC)CC1)N(C)C ZINC001201238538 774468984 /nfs/dbraw/zinc/46/89/84/774468984.db2.gz ALLBLCAUXKZEMC-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CN1Cc2c(NC(=O)[C@H]3C[NH2+]CC34CNC4)cccc2NC1=O ZINC001219529990 774524528 /nfs/dbraw/zinc/52/45/28/774524528.db2.gz GLMLYZPKTWHPSN-LLVKDONJSA-N 1 3 315.377 0.411 20 0 DCADHO CC[NH+](CC)CCNC(=O)[C@H](CC(=O)OC(C)(C)C)NC ZINC001219555625 774535379 /nfs/dbraw/zinc/53/53/79/774535379.db2.gz JRCUHQYNRBMXCP-LBPRGKRZSA-N 1 3 301.431 0.764 20 0 DCADHO Cc1cnc(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)nc1 ZINC001219601292 774552350 /nfs/dbraw/zinc/55/23/50/774552350.db2.gz PVHHITXCRPJCIW-CYBMUJFWSA-N 1 3 303.410 0.318 20 0 DCADHO Cc1cnc(CCNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)nc1 ZINC001219601292 774552352 /nfs/dbraw/zinc/55/23/52/774552352.db2.gz PVHHITXCRPJCIW-CYBMUJFWSA-N 1 3 303.410 0.318 20 0 DCADHO CC/C=C/CCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643452 774570273 /nfs/dbraw/zinc/57/02/73/774570273.db2.gz UTFQIALKOBDYCX-RIPDXSTKSA-N 1 3 321.465 0.846 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCOCC)C1 ZINC001201932333 774573666 /nfs/dbraw/zinc/57/36/66/774573666.db2.gz WXEJAVWCAVSDLA-OAHLLOKOSA-N 1 3 315.458 0.572 20 0 DCADHO COC(=O)c1csc(CNC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001219666982 774576105 /nfs/dbraw/zinc/57/61/05/774576105.db2.gz ROQSMPUFDMOJDK-QMMMGPOBSA-N 1 3 300.384 0.002 20 0 DCADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219719990 774590932 /nfs/dbraw/zinc/59/09/32/774590932.db2.gz COSLOFJAIPFNGR-SOUVJXGZSA-N 1 3 321.421 0.576 20 0 DCADHO N[C@@H](C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1)C1CC[NH2+]CC1 ZINC001219891330 774639695 /nfs/dbraw/zinc/63/96/95/774639695.db2.gz RZXUSIBZMJLTTK-SWLSCSKDSA-N 1 3 304.394 0.088 20 0 DCADHO O=C(C[C@H]1CNCCO1)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931634 774649761 /nfs/dbraw/zinc/64/97/61/774649761.db2.gz WDPMJLAQELPJAB-HNNXBMFYSA-N 1 3 318.421 0.543 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@H](N)CCC[NH3+])c1ccc(OC)cc1 ZINC001219974952 774658916 /nfs/dbraw/zinc/65/89/16/774658916.db2.gz JKYUXIHJJVZOJQ-CHWSQXEVSA-N 1 3 309.366 0.092 20 0 DCADHO COC(=O)C1(NC(=O)c2csc3c2CCNC3)CC[NH2+]CC1 ZINC001220002889 774666081 /nfs/dbraw/zinc/66/60/81/774666081.db2.gz ARNLIVGFSBPZKD-UHFFFAOYSA-N 1 3 323.418 0.419 20 0 DCADHO O=C(NC1(C(F)(F)F)CCOCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220156982 774712957 /nfs/dbraw/zinc/71/29/57/774712957.db2.gz SIJUHVQGTPCCDM-SECBINFHSA-N 1 3 307.316 0.023 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202495849 774722989 /nfs/dbraw/zinc/72/29/89/774722989.db2.gz JKMLWHXAPOUHOJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO O=C(NC[C@H]1CCNCC1(F)F)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220187121 774726595 /nfs/dbraw/zinc/72/65/95/774726595.db2.gz YQIDELCKIXHVCO-VXGBXAGGSA-N 1 3 316.396 0.222 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001220236938 774742461 /nfs/dbraw/zinc/74/24/61/774742461.db2.gz KRIVLBWMAROCIG-KGLIPLIRSA-N 1 3 303.422 0.629 20 0 DCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC001220254206 774747432 /nfs/dbraw/zinc/74/74/32/774747432.db2.gz NEUBZMHFZNBDMK-STQMWFEESA-N 1 3 314.474 0.569 20 0 DCADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001220268303 774751236 /nfs/dbraw/zinc/75/12/36/774751236.db2.gz CNKBIFOADCGYJJ-ZDUSSCGKSA-N 1 3 317.397 0.200 20 0 DCADHO CC[C@@]1(C(=O)NCc2ncn3c2CNCCC3)CCC[NH2+]C1 ZINC001220312110 774767127 /nfs/dbraw/zinc/76/71/27/774767127.db2.gz WWQCRZWBHPPULD-MRXNPFEDSA-N 1 3 305.426 0.772 20 0 DCADHO Cn1cc(Br)c(CNC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001220335797 774775471 /nfs/dbraw/zinc/77/54/71/774775471.db2.gz ULFYBCLJMYTBJH-VIFPVBQESA-N 1 3 318.219 0.255 20 0 DCADHO COCCOc1ccc(CNC(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001220458110 774815152 /nfs/dbraw/zinc/81/51/52/774815152.db2.gz GCYFAYZHLQVGIX-ZDUSSCGKSA-N 1 3 310.398 0.179 20 0 DCADHO CCOC(=O)C1=C(NC(=O)C2CCC(C[NH3+])CC2)CCNC1 ZINC001220523374 774835988 /nfs/dbraw/zinc/83/59/88/774835988.db2.gz OUXDBTVZAUYVSA-UHFFFAOYSA-N 1 3 309.410 0.678 20 0 DCADHO CCOC(=O)C1=C(NC(=O)[C@H](C)[C@H]2CC[NH2+][C@H](C)C2)CCNC1 ZINC001220523088 774836131 /nfs/dbraw/zinc/83/61/31/774836131.db2.gz JCPNNAHXINTVPC-UPJWGTAASA-N 1 3 323.437 0.937 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCc2ccc(O)cc2C1 ZINC001220591875 774855429 /nfs/dbraw/zinc/85/54/29/774855429.db2.gz AJIILYIYPPAHTD-JSGCOSHPSA-N 1 3 309.435 0.385 20 0 DCADHO NC1(C(=O)NCc2ccccc2N2CC[NH2+]CC2)CC(F)C1 ZINC001220654029 774877099 /nfs/dbraw/zinc/87/70/99/774877099.db2.gz ADRDYFBHQWYMHZ-UHFFFAOYSA-N 1 3 306.385 0.542 20 0 DCADHO N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1cccnc1Cl ZINC001220660770 774880995 /nfs/dbraw/zinc/88/09/95/774880995.db2.gz MBLYODVUGGWKPF-YMTOWFKASA-N 1 3 307.785 0.376 20 0 DCADHO CCOC(=O)C[C@@H](NC(=O)[C@H](N)CCC[NH3+])c1cccc(O)c1 ZINC001220667494 774881579 /nfs/dbraw/zinc/88/15/79/774881579.db2.gz AGPWFCFBXCDKSB-ZIAGYGMSSA-N 1 3 323.393 0.569 20 0 DCADHO C[C@@](CO)(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001220712294 774900121 /nfs/dbraw/zinc/90/01/21/774900121.db2.gz YSBWRDOTZOSYDQ-RDJZCZTQSA-N 1 3 317.433 0.885 20 0 DCADHO C[C@@](CO)(NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001220712294 774900128 /nfs/dbraw/zinc/90/01/28/774900128.db2.gz YSBWRDOTZOSYDQ-RDJZCZTQSA-N 1 3 317.433 0.885 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)N[C@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC001220725057 774902427 /nfs/dbraw/zinc/90/24/27/774902427.db2.gz LUECINOBWZEROE-IPYPFGDCSA-N 1 3 304.394 0.189 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N[C@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC001220725058 774902431 /nfs/dbraw/zinc/90/24/31/774902431.db2.gz LUECINOBWZEROE-YDHLFZDLSA-N 1 3 304.394 0.189 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCCc1cc(F)cc(F)c1 ZINC001220734438 774905812 /nfs/dbraw/zinc/90/58/12/774905812.db2.gz QNZQXPDZBZKOIS-LBPRGKRZSA-N 1 3 303.378 0.643 20 0 DCADHO NC(=[NH2+])NCCCCC(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001220865781 774938805 /nfs/dbraw/zinc/93/88/05/774938805.db2.gz KMVYYCOGGIPQSK-UHFFFAOYSA-N 1 3 302.382 0.875 20 0 DCADHO NC(=[NH2+])NCCCCC(=O)NCCc1c[nH]c2ccncc12 ZINC001220865781 774938808 /nfs/dbraw/zinc/93/88/08/774938808.db2.gz KMVYYCOGGIPQSK-UHFFFAOYSA-N 1 3 302.382 0.875 20 0 DCADHO C[C@@H](C[NH3+])C(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001220971071 774966566 /nfs/dbraw/zinc/96/65/66/774966566.db2.gz SGPXAUQBAGESKC-ZDUSSCGKSA-N 1 3 318.421 0.218 20 0 DCADHO C[C@](N)(CO)C(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220975214 774967430 /nfs/dbraw/zinc/96/74/30/774967430.db2.gz RFJLMXYXZARTNJ-INIZCTEOSA-N 1 3 323.412 0.564 20 0 DCADHO CN[C@H](C(=O)NC1(c2cccc(OC)c2)CC[NH2+]CC1)[C@@H](C)O ZINC001221095714 774995688 /nfs/dbraw/zinc/99/56/88/774995688.db2.gz FMUIDGIXCBUNPV-DOMZBBRYSA-N 1 3 321.421 0.359 20 0 DCADHO COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1Cc2ccccc2CN1 ZINC001221188455 775020676 /nfs/dbraw/zinc/02/06/76/775020676.db2.gz WINRXKQNIKEBED-GJZGRUSLSA-N 1 3 319.405 0.488 20 0 DCADHO NC[C@H](O)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204920 775024269 /nfs/dbraw/zinc/02/42/69/775024269.db2.gz OFSKQVHYRVZMGD-CABCVRRESA-N 1 3 309.385 0.692 20 0 DCADHO O=C(N[C@@H](c1ncccc1F)C1CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221218910 775031245 /nfs/dbraw/zinc/03/12/45/775031245.db2.gz IUSNLKUDXWJADH-SUYBPPKGSA-N 1 3 318.396 0.987 20 0 DCADHO O=C(NCc1cc2ccccn2n1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221235232 775036281 /nfs/dbraw/zinc/03/62/81/775036281.db2.gz XDVNPZOVORUSSW-HNNXBMFYSA-N 1 3 313.405 0.825 20 0 DCADHO O=C(NCc1cc2ccccn2n1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221235232 775036289 /nfs/dbraw/zinc/03/62/89/775036289.db2.gz XDVNPZOVORUSSW-HNNXBMFYSA-N 1 3 313.405 0.825 20 0 DCADHO N[C@H](C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)C1CCC(O)CC1 ZINC001221248464 775042990 /nfs/dbraw/zinc/04/29/90/775042990.db2.gz XJMSGTWKCPUSBG-UMPYDWHISA-N 1 3 309.454 0.903 20 0 DCADHO N[C@@H](C(=O)NC[C@H](O)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC001221328514 775070185 /nfs/dbraw/zinc/07/01/85/775070185.db2.gz ADGQMKAEMQRGLY-XJKSGUPXSA-N 1 3 317.389 0.909 20 0 DCADHO O=C(NC[C@@H](CO)c1ccccc1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221377686 775080619 /nfs/dbraw/zinc/08/06/19/775080619.db2.gz OVIPFZHFATXVCE-HOTGVXAUSA-N 1 3 317.433 0.753 20 0 DCADHO O=C(NC[C@@H](CO)c1ccccc1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221377686 775080623 /nfs/dbraw/zinc/08/06/23/775080623.db2.gz OVIPFZHFATXVCE-HOTGVXAUSA-N 1 3 317.433 0.753 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221390246 775082871 /nfs/dbraw/zinc/08/28/71/775082871.db2.gz CGFOZSPNXVRXQA-SWLSCSKDSA-N 1 3 304.438 0.943 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001222088769 775265603 /nfs/dbraw/zinc/26/56/03/775265603.db2.gz XPXGCCZPNWSJQY-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CCOC(=O)c1cc(CN2CCNC3(CC[NH2+]CC3)C2)c[nH]1 ZINC001222100233 775272195 /nfs/dbraw/zinc/27/21/95/775272195.db2.gz ZCQICXWUCUULDH-UHFFFAOYSA-N 1 3 306.410 0.719 20 0 DCADHO [NH3+][C@H](Cc1ccccc1)CN1CCOC[C@]2(CNCCO2)C1 ZINC001222186295 775293938 /nfs/dbraw/zinc/29/39/38/775293938.db2.gz CTDJEKBEKFSSRQ-SJORKVTESA-N 1 3 305.422 0.247 20 0 DCADHO CC[C@H](C(=O)NCC1CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001223598162 775503150 /nfs/dbraw/zinc/50/31/50/775503150.db2.gz ZPMVOWUNZNOONI-LSDHHAIUSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@H](C(=O)NCC1CC[NH+](CCOCCO)CC1)N(C)C ZINC001223597951 775503808 /nfs/dbraw/zinc/50/38/08/775503808.db2.gz SYAGQKIDJKHIDV-OAHLLOKOSA-N 1 3 315.458 0.164 20 0 DCADHO C[NH+](C)CCCC(=O)NCC1CCN([C@H]2CCCNC2=O)CC1 ZINC001224269159 775551393 /nfs/dbraw/zinc/55/13/93/775551393.db2.gz OIHKYDKBTHQESN-HNNXBMFYSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226297153 775794995 /nfs/dbraw/zinc/79/49/95/775794995.db2.gz QYVLZFJAINNSSY-RBSFLKMASA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21)N(C)C ZINC001114855081 776258167 /nfs/dbraw/zinc/25/81/67/776258167.db2.gz UPROSFUZWMVEHH-XUWVNRHRSA-N 1 3 309.454 0.942 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21)N(C)C ZINC001114855081 776258174 /nfs/dbraw/zinc/25/81/74/776258174.db2.gz UPROSFUZWMVEHH-XUWVNRHRSA-N 1 3 309.454 0.942 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001067009847 776613490 /nfs/dbraw/zinc/61/34/90/776613490.db2.gz CQBWQHLBHWVYLN-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001067009847 776613499 /nfs/dbraw/zinc/61/34/99/776613499.db2.gz CQBWQHLBHWVYLN-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587446 945087520 /nfs/dbraw/zinc/08/75/20/945087520.db2.gz KKIKHNNDSLFOHZ-MRXNPFEDSA-N 1 3 319.453 0.618 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001278032806 945108253 /nfs/dbraw/zinc/10/82/53/945108253.db2.gz XBZFLKSPDPZOJA-RDJZCZTQSA-N 1 3 310.486 0.990 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001278032806 945108256 /nfs/dbraw/zinc/10/82/56/945108256.db2.gz XBZFLKSPDPZOJA-RDJZCZTQSA-N 1 3 310.486 0.990 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001278033020 945108741 /nfs/dbraw/zinc/10/87/41/945108741.db2.gz ZWGSAYDTMDYGHK-HNNXBMFYSA-N 1 3 319.453 0.935 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001278033020 945108745 /nfs/dbraw/zinc/10/87/45/945108745.db2.gz ZWGSAYDTMDYGHK-HNNXBMFYSA-N 1 3 319.453 0.935 20 0 DCADHO Cc1cc(C)n(CCN(C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001480913434 939315199 /nfs/dbraw/zinc/31/51/99/939315199.db2.gz NWINLZGBVSWOCJ-CQSZACIVSA-N 1 3 321.469 0.890 20 0 DCADHO Cc1cc(C)n(CCN(C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001480913434 939315203 /nfs/dbraw/zinc/31/52/03/939315203.db2.gz NWINLZGBVSWOCJ-CQSZACIVSA-N 1 3 321.469 0.890 20 0 DCADHO CCCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001267032217 939318081 /nfs/dbraw/zinc/31/80/81/939318081.db2.gz FLGYOXNEPAJNGY-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)CCC[NH+](C)C ZINC001408671931 939545168 /nfs/dbraw/zinc/54/51/68/939545168.db2.gz XYZIJSAMIIQCKV-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN1CCC[C@@H](N2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001481107724 939563294 /nfs/dbraw/zinc/56/32/94/939563294.db2.gz HIWLPUTXFZWNKE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001481228464 939654095 /nfs/dbraw/zinc/65/40/95/939654095.db2.gz FPXDXYAXKOURNS-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001481228464 939654096 /nfs/dbraw/zinc/65/40/96/939654096.db2.gz FPXDXYAXKOURNS-UKRRQHHQSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)NC1CC1 ZINC001481317762 939744527 /nfs/dbraw/zinc/74/45/27/939744527.db2.gz KYTUSPGFIJXRSA-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001481644230 939996444 /nfs/dbraw/zinc/99/64/44/939996444.db2.gz CKVFILWWHMBRFU-CQSZACIVSA-N 1 3 309.454 0.803 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(CCn2cccn2)C1 ZINC001481748290 940108357 /nfs/dbraw/zinc/10/83/57/940108357.db2.gz PRNVLWPJGGNIHJ-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(CCn2cccn2)C1 ZINC001481748290 940108359 /nfs/dbraw/zinc/10/83/59/940108359.db2.gz PRNVLWPJGGNIHJ-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCNC[C@@H]1F ZINC001245973852 945301939 /nfs/dbraw/zinc/30/19/39/945301939.db2.gz LEEHGTQTVPVHIS-ZQDZILKHSA-N 1 3 317.355 0.485 20 0 DCADHO OCCc1ccc(OC[C@@H](O)CNC[C@H]2CCC[NH2+]C2)cc1 ZINC001245980289 945304558 /nfs/dbraw/zinc/30/45/58/945304558.db2.gz IFJWWZZXINSPCJ-HOTGVXAUSA-N 1 3 308.422 0.550 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001245990407 945307747 /nfs/dbraw/zinc/30/77/47/945307747.db2.gz IXWYWMGIWLIUEL-UAGQMJEPSA-N 1 3 322.449 0.796 20 0 DCADHO CC(C)N(C)C(=O)CNC/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268591478 940272791 /nfs/dbraw/zinc/27/27/91/940272791.db2.gz RBIRSAKDJHCNSA-NFAHFFEMSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)C(=O)CNC/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268591478 940272793 /nfs/dbraw/zinc/27/27/93/940272793.db2.gz RBIRSAKDJHCNSA-NFAHFFEMSA-N 1 3 324.469 0.457 20 0 DCADHO NC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001246004327 945312485 /nfs/dbraw/zinc/31/24/85/945312485.db2.gz BSBJPNIHOPEWEO-QWHCGFSZSA-N 1 3 301.337 0.571 20 0 DCADHO C[C@@H](C[NH2+]CCCN1CCCC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001268691141 940333270 /nfs/dbraw/zinc/33/32/70/940333270.db2.gz MGAHEEKYPNHUBS-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001269085347 940613130 /nfs/dbraw/zinc/61/31/30/940613130.db2.gz ZUNVPJPBGRZLRA-WMLDXEAASA-N 1 3 322.453 0.093 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@@H]1NC1C[C@@H]2COC[C@H](C1)N2 ZINC001246117738 945340190 /nfs/dbraw/zinc/34/01/90/945340190.db2.gz CKZLSUXXSVPOEI-DKUMPPAJSA-N 1 3 313.442 0.227 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001270174825 940849332 /nfs/dbraw/zinc/84/93/32/940849332.db2.gz RMWPVYBXKOPFLV-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293319 940912277 /nfs/dbraw/zinc/91/22/77/940912277.db2.gz VCROAIYOJHIEBH-CHWSQXEVSA-N 1 3 324.469 0.574 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001270618481 940937539 /nfs/dbraw/zinc/93/75/39/940937539.db2.gz ZSLCWBCLFCZGEB-ARFHVFGLSA-N 1 3 308.470 0.565 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365277 941022952 /nfs/dbraw/zinc/02/29/52/941022952.db2.gz UNCMTARDGAYFNG-OCCSQVGLSA-N 1 3 307.442 0.617 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482365277 941022956 /nfs/dbraw/zinc/02/29/56/941022956.db2.gz UNCMTARDGAYFNG-OCCSQVGLSA-N 1 3 307.442 0.617 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC(N)=O ZINC001482430997 941218372 /nfs/dbraw/zinc/21/83/72/941218372.db2.gz AJYHZGFZRDWJOY-STQMWFEESA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]([NH2+]CCCO)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001271540151 941398691 /nfs/dbraw/zinc/39/86/91/941398691.db2.gz PUIOTHDXMNCKNK-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC/C=C\Cl ZINC001482738957 941650570 /nfs/dbraw/zinc/65/05/70/941650570.db2.gz NPYFDCWHSYXPRT-KQMXKCMJSA-N 1 3 303.834 0.680 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)CNC/C=C\Cl ZINC001482738957 941650572 /nfs/dbraw/zinc/65/05/72/941650572.db2.gz NPYFDCWHSYXPRT-KQMXKCMJSA-N 1 3 303.834 0.680 20 0 DCADHO CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001482767099 941654845 /nfs/dbraw/zinc/65/48/45/941654845.db2.gz KTIQVOUQOPEDLI-CZUORRHYSA-N 1 3 317.449 0.922 20 0 DCADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001482761480 941658906 /nfs/dbraw/zinc/65/89/06/941658906.db2.gz DZNUORWLNXEIDL-OAHLLOKOSA-N 1 3 320.437 0.299 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001483038049 941791388 /nfs/dbraw/zinc/79/13/88/941791388.db2.gz RPNKJXHIKHTOLS-DANTVBBOSA-N 1 3 324.469 0.634 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)C1=O ZINC001483135958 941902701 /nfs/dbraw/zinc/90/27/01/941902701.db2.gz XTKYYJFUSOSDDF-ZIAGYGMSSA-N 1 3 324.469 0.574 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCn1cccn1 ZINC001409470277 942011033 /nfs/dbraw/zinc/01/10/33/942011033.db2.gz QENABOLTQQFMAE-NWDGAFQWSA-N 1 3 304.398 0.640 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCN1CCCC1=O ZINC001409627400 942102072 /nfs/dbraw/zinc/10/20/72/942102072.db2.gz BVLJWDIXVMVLLB-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO Cc1nc([C@@H](C)NC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001483284236 942238743 /nfs/dbraw/zinc/23/87/43/942238743.db2.gz FYUGFYUIARMGQS-WDEREUQCSA-N 1 3 306.414 0.364 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC(N)=O)N1CCCC1 ZINC001483439484 942360580 /nfs/dbraw/zinc/36/05/80/942360580.db2.gz UOYBALVPKFZSMB-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077443932 942458056 /nfs/dbraw/zinc/45/80/56/942458056.db2.gz CSEGZSZUAJBAFJ-IAGOWNOFSA-N 1 3 319.449 0.974 20 0 DCADHO CCN(CC)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001413067224 942462717 /nfs/dbraw/zinc/46/27/17/942462717.db2.gz CNXMCXUMWHXYQI-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]([NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCCC1)C(N)=O ZINC001409788734 942561435 /nfs/dbraw/zinc/56/14/35/942561435.db2.gz ZTPSIXSBCCSDND-CYBMUJFWSA-N 1 3 324.469 0.753 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001272524865 942803254 /nfs/dbraw/zinc/80/32/54/942803254.db2.gz VVLMDQDVLRFPHE-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCN1C[C@]2(CC1=O)CCCCN2C[C@H]1CCC(=O)N1 ZINC001272525687 942804607 /nfs/dbraw/zinc/80/46/07/942804607.db2.gz XGKUPMZSCGUTQQ-RHSMWYFYSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCn2cccn2)C1 ZINC001484383718 943344387 /nfs/dbraw/zinc/34/43/87/943344387.db2.gz BZHTTZAWJDZWHO-JKSUJKDBSA-N 1 3 321.469 0.907 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN([C@@H](C)C(=O)NC)CC2 ZINC001484581818 943457202 /nfs/dbraw/zinc/45/72/02/943457202.db2.gz QKJLBGOCRZZHRS-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN([C@@H](C)C(=O)NC)CC2 ZINC001484581818 943457205 /nfs/dbraw/zinc/45/72/05/943457205.db2.gz QKJLBGOCRZZHRS-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(=O)NC1CC1 ZINC001484889400 943614299 /nfs/dbraw/zinc/61/42/99/943614299.db2.gz UDWCFTLEPCWKOK-DOMZBBRYSA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001490931898 943681341 /nfs/dbraw/zinc/68/13/41/943681341.db2.gz INXUJPJGXVKFRQ-RBSFLKMASA-N 1 3 324.469 0.574 20 0 DCADHO C[C@@H]([NH2+]CC1CC(NC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001485093328 943694414 /nfs/dbraw/zinc/69/44/14/943694414.db2.gz GGWHXGSLQMJCOC-IYXRBSQSSA-N 1 3 324.469 0.432 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001485214848 943760751 /nfs/dbraw/zinc/76/07/51/943760751.db2.gz IAMSVTGWBMUIFT-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001491252697 943867904 /nfs/dbraw/zinc/86/79/04/943867904.db2.gz CVCPHWIURCZYPS-KBPBESRZSA-N 1 3 322.453 0.459 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001491370403 943941851 /nfs/dbraw/zinc/94/18/51/943941851.db2.gz QJWBENQQALSBBZ-NRXISQOPSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(CCc2cnn(C)c2)C1 ZINC001409930594 944198555 /nfs/dbraw/zinc/19/85/55/944198555.db2.gz HQRRIJCWKBJFGP-ZDUSSCGKSA-N 1 3 307.442 0.351 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3cc[nH]c(=O)c3)C2)C1=O ZINC001272824935 944260108 /nfs/dbraw/zinc/26/01/08/944260108.db2.gz ZTGCWEBOKFFODY-KRWDZBQOSA-N 1 3 318.421 0.773 20 0 DCADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3cc[nH]c(=O)c3)C2)C1=O ZINC001272824935 944260119 /nfs/dbraw/zinc/26/01/19/944260119.db2.gz ZTGCWEBOKFFODY-KRWDZBQOSA-N 1 3 318.421 0.773 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001485892738 944386802 /nfs/dbraw/zinc/38/68/02/944386802.db2.gz DHXYCMCTPLPEAH-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485892738 944386807 /nfs/dbraw/zinc/38/68/07/944386807.db2.gz DHXYCMCTPLPEAH-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCn1cc(CC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH]cn2)cn1 ZINC001485928403 944395408 /nfs/dbraw/zinc/39/54/08/944395408.db2.gz WIBLCYQJVZFZPU-ZDUSSCGKSA-N 1 3 318.425 0.848 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)N[C@H]1CCN(C2CCC2)C1=O ZINC001485918272 944402652 /nfs/dbraw/zinc/40/26/52/944402652.db2.gz BSDZUIVMJNEUOQ-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccnn1C ZINC001485922918 944404424 /nfs/dbraw/zinc/40/44/24/944404424.db2.gz TUVDQMVCWJGZNB-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001485955404 944414054 /nfs/dbraw/zinc/41/40/54/944414054.db2.gz LYAMTZDKLURYSH-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001485961637 944448882 /nfs/dbraw/zinc/44/88/82/944448882.db2.gz SXDYGGSRXVFXHE-CYBMUJFWSA-N 1 3 314.474 0.678 20 0 DCADHO CCN(C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C)C1CC1 ZINC001486085653 944546653 /nfs/dbraw/zinc/54/66/53/944546653.db2.gz SCSCOTJPYHHIGX-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)[C@@H]1C ZINC001486091812 944550376 /nfs/dbraw/zinc/55/03/76/944550376.db2.gz AQXKBUAKXPZKIF-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)[C@@H]1C ZINC001486091812 944550378 /nfs/dbraw/zinc/55/03/78/944550378.db2.gz AQXKBUAKXPZKIF-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001486123461 944579028 /nfs/dbraw/zinc/57/90/28/944579028.db2.gz CDYCENMCEBHPPT-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001316915286 944645162 /nfs/dbraw/zinc/64/51/62/944645162.db2.gz WEAVKTHASBTXTK-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001316915286 944645172 /nfs/dbraw/zinc/64/51/72/944645172.db2.gz WEAVKTHASBTXTK-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)C1 ZINC001316924335 944650447 /nfs/dbraw/zinc/65/04/47/944650447.db2.gz NHSLSYIGRWWGDF-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C2CC2)[C@@H]2CCNC2=O)C1 ZINC001316924335 944650454 /nfs/dbraw/zinc/65/04/54/944650454.db2.gz NHSLSYIGRWWGDF-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1)CC(C)(C)C ZINC001486244435 944667638 /nfs/dbraw/zinc/66/76/38/944667638.db2.gz XMQRGSQWCXHTGA-LBPRGKRZSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1C[C@@H]1CN1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001277140393 944675185 /nfs/dbraw/zinc/67/51/85/944675185.db2.gz XGVIYOIHSBHDSP-RJZRQDKASA-N 1 3 320.437 0.539 20 0 DCADHO CCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001317058563 944765077 /nfs/dbraw/zinc/76/50/77/944765077.db2.gz BUPWGLLXEZDWBE-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC001317065810 944770700 /nfs/dbraw/zinc/77/07/00/944770700.db2.gz XWYGLDGXKHIGBM-CMPLNLGQSA-N 1 3 314.336 0.567 20 0 DCADHO CN(C[C@@H](O)CNC/C=C/Cl)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486311678 944772114 /nfs/dbraw/zinc/77/21/14/944772114.db2.gz NOPYJYOKTWHQKV-CBSYICTRSA-N 1 3 303.834 0.490 20 0 DCADHO CN(C[C@@H](O)CNC/C=C/Cl)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486311678 944772120 /nfs/dbraw/zinc/77/21/20/944772120.db2.gz NOPYJYOKTWHQKV-CBSYICTRSA-N 1 3 303.834 0.490 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C(C)(C)C)C1 ZINC001486424321 944870567 /nfs/dbraw/zinc/87/05/67/944870567.db2.gz RKUJAZRLLBNHHT-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C(C)(C)C)C1 ZINC001486424321 944870577 /nfs/dbraw/zinc/87/05/77/944870577.db2.gz RKUJAZRLLBNHHT-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CC(=O)NCCN1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001277909866 945035780 /nfs/dbraw/zinc/03/57/80/945035780.db2.gz HCWLDEXNRYAVRG-QGZVFWFLSA-N 1 3 310.486 0.862 20 0 DCADHO CC(=O)NCCN1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001277909866 945035787 /nfs/dbraw/zinc/03/57/87/945035787.db2.gz HCWLDEXNRYAVRG-QGZVFWFLSA-N 1 3 310.486 0.862 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CN1 ZINC001246492905 945418818 /nfs/dbraw/zinc/41/88/18/945418818.db2.gz DXEPTBWQBGTDBI-ZBFHGGJFSA-N 1 3 320.437 0.322 20 0 DCADHO COC(=O)[C@@H]1CC[C@@H](N2CCC[C@@H]([NH3+])CC2)C[C@H]1C(=O)OC ZINC001246548171 945429968 /nfs/dbraw/zinc/42/99/68/945429968.db2.gz SFUYCFBLGAKKQT-AAVRWANBSA-N 1 3 312.410 0.931 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@@H+]3CC[C@H](N)[C@@H](F)CC3)C[C@H](C1)N2 ZINC001246586869 945436209 /nfs/dbraw/zinc/43/62/09/945436209.db2.gz NZPHRHHVVWGPTK-AUJGNRQJSA-N 1 3 313.417 0.820 20 0 DCADHO COC(=O)C1C[C@@H]2CC([N@H+]3CC[C@H](N)[C@@H](F)CC3)C[C@H](C1)N2 ZINC001246586869 945436213 /nfs/dbraw/zinc/43/62/13/945436213.db2.gz NZPHRHHVVWGPTK-AUJGNRQJSA-N 1 3 313.417 0.820 20 0 DCADHO CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCNC(=O)C3)C[C@@H]1CNCCC2 ZINC001246593527 945439381 /nfs/dbraw/zinc/43/93/81/945439381.db2.gz GZBMPNZXOIVOCK-XEZPLFJOSA-N 1 3 309.410 0.130 20 0 DCADHO CCOC(=O)[C@@]12C[N@H+]([C@H]3CCNC(=O)C3)C[C@@H]1CNCCC2 ZINC001246593527 945439388 /nfs/dbraw/zinc/43/93/88/945439388.db2.gz GZBMPNZXOIVOCK-XEZPLFJOSA-N 1 3 309.410 0.130 20 0 DCADHO CCOC(=O)[C@H]1CC2(CN1[C@@H]1CCNC(=O)C1)CC[NH2+]CC2 ZINC001246604499 945441728 /nfs/dbraw/zinc/44/17/28/945441728.db2.gz QTFWEUJKBOXDSM-CHWSQXEVSA-N 1 3 309.410 0.272 20 0 DCADHO CC(C)NC(=O)c1nn([C@H]2CC[NH2+][C@H](C)C2)c2c1CNCC2 ZINC001246760704 945483616 /nfs/dbraw/zinc/48/36/16/945483616.db2.gz XRIRDDZMJNXXJN-NEPJUHHUSA-N 1 3 305.426 0.980 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@@H+]([C@@H]4CCCNC4)C[C@H]3C2)cn1 ZINC001246759595 945483924 /nfs/dbraw/zinc/48/39/24/945483924.db2.gz NTWLZCXOISBZIT-BRWVUGGUSA-N 1 3 303.454 0.926 20 0 DCADHO Cn1cc(CN2CC[C@@H]3C[N@H+]([C@@H]4CCCNC4)C[C@H]3C2)cn1 ZINC001246759595 945483929 /nfs/dbraw/zinc/48/39/29/945483929.db2.gz NTWLZCXOISBZIT-BRWVUGGUSA-N 1 3 303.454 0.926 20 0 DCADHO c1cc(CN2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)ccn1 ZINC001246782890 945489092 /nfs/dbraw/zinc/48/90/92/945489092.db2.gz MBQDFPLKZACLMD-INIZCTEOSA-N 1 3 301.438 0.293 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CN1 ZINC001246970511 945528450 /nfs/dbraw/zinc/52/84/50/945528450.db2.gz ZZKHITMHBMQIMB-BMFZPTHFSA-N 1 3 324.469 0.168 20 0 DCADHO CO[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001410094897 945883116 /nfs/dbraw/zinc/88/31/16/945883116.db2.gz ZLUNZJVSXHSXSU-ZQDZILKHSA-N 1 3 309.454 0.800 20 0 DCADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001410094897 945883124 /nfs/dbraw/zinc/88/31/24/945883124.db2.gz ZLUNZJVSXHSXSU-ZQDZILKHSA-N 1 3 309.454 0.800 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001320644011 945960609 /nfs/dbraw/zinc/96/06/09/945960609.db2.gz IZHJXRZXCRGDIG-KBPBESRZSA-N 1 3 312.458 0.481 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC001410170063 945976051 /nfs/dbraw/zinc/97/60/51/945976051.db2.gz JOGCOXJJRUEUBS-AWEZNQCLSA-N 1 3 315.433 0.583 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC001410170063 945976058 /nfs/dbraw/zinc/97/60/58/945976058.db2.gz JOGCOXJJRUEUBS-AWEZNQCLSA-N 1 3 315.433 0.583 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320844372 946039131 /nfs/dbraw/zinc/03/91/31/946039131.db2.gz STFVLNFNIZSHDU-OAHLLOKOSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1)N(C)C ZINC001410218137 946053370 /nfs/dbraw/zinc/05/33/70/946053370.db2.gz BVPGNUAZLXYNCR-XUXIUFHCSA-N 1 3 310.442 0.090 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001410242726 946084300 /nfs/dbraw/zinc/08/43/00/946084300.db2.gz RLPMTBDPMLDWGF-MGPQQGTHSA-N 1 3 322.453 0.234 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001320998047 946109518 /nfs/dbraw/zinc/10/95/18/946109518.db2.gz MOMDRCCVLVBQDO-AZBIDPCXSA-N 1 3 318.425 0.122 20 0 DCADHO CC(C)N1CCN(CC[NH2+]C[C@H](O)COC(C)(C)C)CC1 ZINC001253473010 946124067 /nfs/dbraw/zinc/12/40/67/946124067.db2.gz LDLIRGZQBXLPGO-HNNXBMFYSA-N 1 3 301.475 0.778 20 0 DCADHO C[C@H](NC/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001321063566 946148999 /nfs/dbraw/zinc/14/89/99/946148999.db2.gz HQVXPKQPDDKPAF-LTIZXKLPSA-N 1 3 322.453 0.067 20 0 DCADHO CC(=O)N1CC(NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254051209 946224901 /nfs/dbraw/zinc/22/49/01/946224901.db2.gz BKBMTVUWEKKNGC-UHFFFAOYSA-N 1 3 317.433 0.834 20 0 DCADHO Nc1ccncc1-c1cn(C[C@H]2C[C@]3(CCC[NH2+]3)CO2)nn1 ZINC001254063730 946228907 /nfs/dbraw/zinc/22/89/07/946228907.db2.gz HGGOSBBPDVHVRZ-IAQYHMDHSA-N 1 3 300.366 0.664 20 0 DCADHO COCCC[NH2+]C[C@H]1CN(C(=O)CN2CC[C@H](C)C2)CCO1 ZINC001273316678 946496073 /nfs/dbraw/zinc/49/60/73/946496073.db2.gz UUWNEHIAMJSVHO-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CCN(CC)CC[C@H](C)[NH2+]CCCC[C@H](NC(C)=O)C(N)=O ZINC001255948268 946561280 /nfs/dbraw/zinc/56/12/80/946561280.db2.gz IMVOUOYAYQELFK-ZFWWWQNUSA-N 1 3 314.474 0.857 20 0 DCADHO CC[NH+](CC)CC[C@@H](C)NCCCN1CCS(=O)(=O)CC1 ZINC001255950786 946561448 /nfs/dbraw/zinc/56/14/48/946561448.db2.gz LHZDZSIGCMNDPT-OAHLLOKOSA-N 1 3 319.515 0.817 20 0 DCADHO CCN(CC)CC[C@@H](C)[NH2+]CCCN1CCS(=O)(=O)CC1 ZINC001255950786 946561460 /nfs/dbraw/zinc/56/14/60/946561460.db2.gz LHZDZSIGCMNDPT-OAHLLOKOSA-N 1 3 319.515 0.817 20 0 DCADHO CC(C)OCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001273322397 946602180 /nfs/dbraw/zinc/60/21/80/946602180.db2.gz FNIIAJATODJBCC-OAHLLOKOSA-N 1 3 324.425 0.584 20 0 DCADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001273341239 946707557 /nfs/dbraw/zinc/70/75/57/946707557.db2.gz BBXJCURQGMEROO-HUUCEWRRSA-N 1 3 323.441 0.040 20 0 DCADHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)N(C)C)CC1 ZINC001322755807 946794201 /nfs/dbraw/zinc/79/42/01/946794201.db2.gz JDOVSMQAHUYZKI-UHFFFAOYSA-N 1 3 312.458 0.245 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H]1C ZINC001410845116 947019522 /nfs/dbraw/zinc/01/95/22/947019522.db2.gz GNZYAKLHIMPNQA-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCC2)C1 ZINC001410861628 947043107 /nfs/dbraw/zinc/04/31/07/947043107.db2.gz UFGOXIHKRAXNBJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)C)C1 ZINC001410868813 947049450 /nfs/dbraw/zinc/04/94/50/947049450.db2.gz YUORLSOCZXIJSR-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410882414 947083164 /nfs/dbraw/zinc/08/31/64/947083164.db2.gz YZZXQYHDSBGQET-HIFRSBDPSA-N 1 3 319.453 0.841 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001410932295 947135787 /nfs/dbraw/zinc/13/57/87/947135787.db2.gz FCVBXZKJLSSBKW-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001410932295 947135790 /nfs/dbraw/zinc/13/57/90/947135790.db2.gz FCVBXZKJLSSBKW-CQSZACIVSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C)C(N)=O ZINC001410978751 947187853 /nfs/dbraw/zinc/18/78/53/947187853.db2.gz IMZAKDPFJPGYBJ-CHWSQXEVSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]C[C@@H](O)COC)C(C)(C)C1)N(C)C ZINC001411002050 947220435 /nfs/dbraw/zinc/22/04/35/947220435.db2.gz ZXINFRGXLOPHPP-MGPQQGTHSA-N 1 3 315.458 0.161 20 0 DCADHO CC[C@@H](F)CNC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001411074940 947296991 /nfs/dbraw/zinc/29/69/91/947296991.db2.gz IVEKFILGOUBNCP-KGLIPLIRSA-N 1 3 303.422 0.485 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC001261634917 947381173 /nfs/dbraw/zinc/38/11/73/947381173.db2.gz QPMDQOHVONCOMD-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO COCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001325152659 947682945 /nfs/dbraw/zinc/68/29/45/947682945.db2.gz BCDDXQZDRQKKRB-ZBFHGGJFSA-N 1 3 315.458 0.162 20 0 DCADHO COCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001325152659 947682940 /nfs/dbraw/zinc/68/29/40/947682940.db2.gz BCDDXQZDRQKKRB-ZBFHGGJFSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001325313128 947753183 /nfs/dbraw/zinc/75/31/83/947753183.db2.gz LSJXBTNFWARUCN-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001325345027 947761420 /nfs/dbraw/zinc/76/14/20/947761420.db2.gz ADSYZDPXIGIJJT-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001179534732 947854313 /nfs/dbraw/zinc/85/43/13/947854313.db2.gz SWFVLIFRLUJJFR-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCOCC(F)F)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617756 947876389 /nfs/dbraw/zinc/87/63/89/947876389.db2.gz OVDIVNGHSGDNBH-JQWIXIFHSA-N 1 3 316.352 0.813 20 0 DCADHO CNC(=O)C[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580988 947876441 /nfs/dbraw/zinc/87/64/41/947876441.db2.gz YXLYASYQOKYZMZ-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC001326183339 948085820 /nfs/dbraw/zinc/08/58/20/948085820.db2.gz PYIKTTWFPZFAJW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001488158900 948576777 /nfs/dbraw/zinc/57/67/77/948576777.db2.gz YXAVYOWHXWNHOC-UKRRQHHQSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001488773515 949170893 /nfs/dbraw/zinc/17/08/93/949170893.db2.gz PWHJNIOLMQZAEV-XQLPTFJDSA-N 1 3 322.453 0.091 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001488915478 949333265 /nfs/dbraw/zinc/33/32/65/949333265.db2.gz CDRZCVGELXVOGR-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001265145796 949370999 /nfs/dbraw/zinc/37/09/99/949370999.db2.gz ALAYMAIEQUOKIQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001265145796 949371023 /nfs/dbraw/zinc/37/10/23/949371023.db2.gz ALAYMAIEQUOKIQ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]1CN(C)C(=O)Cc1c[nH]cn1 ZINC001489792695 950048377 /nfs/dbraw/zinc/04/83/77/950048377.db2.gz YGLOIZPKACSMFD-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]1CN(C)C(=O)Cc1c[nH]cn1 ZINC001489792695 950048399 /nfs/dbraw/zinc/04/83/99/950048399.db2.gz YGLOIZPKACSMFD-CQSZACIVSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]1CN(C)C(=O)Cc1c[nH]cn1 ZINC001489792693 950049896 /nfs/dbraw/zinc/04/98/96/950049896.db2.gz YGLOIZPKACSMFD-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]1CN(C)C(=O)Cc1c[nH]cn1 ZINC001489792693 950049916 /nfs/dbraw/zinc/04/99/16/950049916.db2.gz YGLOIZPKACSMFD-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cnn(C)c1 ZINC001266070064 950322748 /nfs/dbraw/zinc/32/27/48/950322748.db2.gz LZOPFPMAQBQSAB-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cnn(C)c1 ZINC001266070064 950322768 /nfs/dbraw/zinc/32/27/68/950322768.db2.gz LZOPFPMAQBQSAB-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1 ZINC001490303599 950513372 /nfs/dbraw/zinc/51/33/72/950513372.db2.gz OFIHLXOYFYSBLI-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H](C)C(=O)NC1CC1 ZINC001490318819 950570642 /nfs/dbraw/zinc/57/06/42/950570642.db2.gz RZKIUQFCVTYEAF-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)[C@H](C)C(=O)NC1CC1 ZINC001490318819 950570655 /nfs/dbraw/zinc/57/06/55/950570655.db2.gz RZKIUQFCVTYEAF-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001331930381 951394731 /nfs/dbraw/zinc/39/47/31/951394731.db2.gz WSNPZDBLMFMCHS-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cncn2C)C1)N(C)C ZINC001365826005 951588245 /nfs/dbraw/zinc/58/82/45/951588245.db2.gz KBFCFCMSPKOBCB-VNHYZAJKSA-N 1 3 307.442 0.745 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)N1CC[C@H](N2CC=CC2)C1 ZINC001334246933 952269771 /nfs/dbraw/zinc/26/97/71/952269771.db2.gz LBWUOWPEXADFMP-OLZOCXBDSA-N 1 3 314.380 0.887 20 0 DCADHO Cc1nn(C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001275914961 952521403 /nfs/dbraw/zinc/52/14/03/952521403.db2.gz IHNYJDOEMFDOQN-HNNXBMFYSA-N 1 3 307.442 0.761 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)CC(C)(C)O)C[C@@H](C)O1 ZINC001335349986 952523725 /nfs/dbraw/zinc/52/37/25/952523725.db2.gz BZNZHQJASCTHFI-KFWWJZLASA-N 1 3 302.459 0.987 20 0 DCADHO CN1CCN(C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001412471226 952826990 /nfs/dbraw/zinc/82/69/90/952826990.db2.gz SZFNWOLGUCWZKD-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO CN1CCN(C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001412471226 952826995 /nfs/dbraw/zinc/82/69/95/952826995.db2.gz SZFNWOLGUCWZKD-HNNXBMFYSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001276227373 953016227 /nfs/dbraw/zinc/01/62/27/953016227.db2.gz RAABCMQEHDXWMO-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CNCC[NH3+] ZINC001340987529 953206109 /nfs/dbraw/zinc/20/61/09/953206109.db2.gz VILHNOOPHUACRX-OAHLLOKOSA-N 1 3 304.438 0.658 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001365886494 953359605 /nfs/dbraw/zinc/35/96/05/953359605.db2.gz FVVJGNVTAAVUIW-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001365886494 953359610 /nfs/dbraw/zinc/35/96/10/953359610.db2.gz FVVJGNVTAAVUIW-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCCNC1=O)C1CC1 ZINC001366057477 953632668 /nfs/dbraw/zinc/63/26/68/953632668.db2.gz FOVDWDUYSIYRJQ-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1CC1 ZINC001366068791 953644940 /nfs/dbraw/zinc/64/49/40/953644940.db2.gz YONLVAMLLNYVEN-JSGCOSHPSA-N 1 3 312.458 0.288 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001366101554 953685971 /nfs/dbraw/zinc/68/59/71/953685971.db2.gz YMHRRQXJGZTURS-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cn1cnnc1CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001346212877 953821718 /nfs/dbraw/zinc/82/17/18/953821718.db2.gz HQOQOXBZYMVUMR-KRWDZBQOSA-N 1 3 315.421 0.584 20 0 DCADHO Cn1cnnc1CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001346212877 953821729 /nfs/dbraw/zinc/82/17/29/953821729.db2.gz HQOQOXBZYMVUMR-KRWDZBQOSA-N 1 3 315.421 0.584 20 0 DCADHO CN1CCN(CCCCNC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC001346340058 953862043 /nfs/dbraw/zinc/86/20/43/953862043.db2.gz OIMOJKQKWXJZFG-NVXWUHKLSA-N 1 3 323.485 0.537 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC[C@@H](C)O)C[C@H]21)N(C)C ZINC001366238072 953879363 /nfs/dbraw/zinc/87/93/63/953879363.db2.gz RHVCPFNEUJVZOX-RBGFHDKUSA-N 1 3 311.470 0.780 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]21)N(C)C ZINC001366238072 953879376 /nfs/dbraw/zinc/87/93/76/953879376.db2.gz RHVCPFNEUJVZOX-RBGFHDKUSA-N 1 3 311.470 0.780 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)NCC(N)=O ZINC001366276888 953939664 /nfs/dbraw/zinc/93/96/64/953939664.db2.gz VXFZMCWSVXNVDX-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)NCC(N)=O ZINC001366276888 953939670 /nfs/dbraw/zinc/93/96/70/953939670.db2.gz VXFZMCWSVXNVDX-CHWSQXEVSA-N 1 3 310.442 0.221 20 0 DCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001366354678 954082418 /nfs/dbraw/zinc/08/24/18/954082418.db2.gz QZELHATZZCNFRT-SWLSCSKDSA-N 1 3 320.437 0.720 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001366383207 954129389 /nfs/dbraw/zinc/12/93/89/954129389.db2.gz VJHYNCQDDYDJBS-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001366383207 954129394 /nfs/dbraw/zinc/12/93/94/954129394.db2.gz VJHYNCQDDYDJBS-ZDUSSCGKSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)N(C)C1CC[NH+](CCOCCO)CC1)N(C)C ZINC001479895474 954192912 /nfs/dbraw/zinc/19/29/12/954192912.db2.gz KDQKWSFNLAPRDT-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@@H](C(=O)NCC[N@H+](C)C[C@@H](O)CC(F)(F)F)N(C)C ZINC001366564552 954428278 /nfs/dbraw/zinc/42/82/78/954428278.db2.gz VTTHQTXFFCMWKL-QWRGUYRKSA-N 1 3 313.364 0.688 20 0 DCADHO CC[C@@H](C(=O)NCC[N@@H+](C)C[C@@H](O)CC(F)(F)F)N(C)C ZINC001366564552 954428286 /nfs/dbraw/zinc/42/82/86/954428286.db2.gz VTTHQTXFFCMWKL-QWRGUYRKSA-N 1 3 313.364 0.688 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2CCn2cccn2)C1 ZINC001366665668 954611875 /nfs/dbraw/zinc/61/18/75/954611875.db2.gz FUUSJQDJOAMQLI-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2CCn2cccn2)C1 ZINC001366665668 954611881 /nfs/dbraw/zinc/61/18/81/954611881.db2.gz FUUSJQDJOAMQLI-JKSUJKDBSA-N 1 3 319.453 0.806 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H](CC)N(C)C ZINC001349172835 954632615 /nfs/dbraw/zinc/63/26/15/954632615.db2.gz VYQNQSKZUXGQPG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H](CC)N(C)C ZINC001349172835 954632632 /nfs/dbraw/zinc/63/26/32/954632632.db2.gz VYQNQSKZUXGQPG-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001366698410 954670996 /nfs/dbraw/zinc/67/09/96/954670996.db2.gz NAGRIQOEWUNAGS-CJNGLKHVSA-N 1 3 315.433 0.629 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001366698410 954670998 /nfs/dbraw/zinc/67/09/98/954670998.db2.gz NAGRIQOEWUNAGS-CJNGLKHVSA-N 1 3 315.433 0.629 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H]1CCN(C2CCC2)C1=O ZINC001366779096 954836164 /nfs/dbraw/zinc/83/61/64/954836164.db2.gz RBLYRLDLLKZFNM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H]1CCN(C2CCC2)C1=O ZINC001366779096 954836174 /nfs/dbraw/zinc/83/61/74/954836174.db2.gz RBLYRLDLLKZFNM-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001366884537 954989271 /nfs/dbraw/zinc/98/92/71/954989271.db2.gz RJURYVGGQQVFBL-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001366884537 954989280 /nfs/dbraw/zinc/98/92/80/954989280.db2.gz RJURYVGGQQVFBL-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366882403 954989738 /nfs/dbraw/zinc/98/97/38/954989738.db2.gz BQVNTIGFFJRPRR-OKILXGFUSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001366882403 954989747 /nfs/dbraw/zinc/98/97/47/954989747.db2.gz BQVNTIGFFJRPRR-OKILXGFUSA-N 1 3 324.469 0.515 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366884137 954990830 /nfs/dbraw/zinc/99/08/30/954990830.db2.gz PHCRMTRJZMQGQT-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366884137 954990835 /nfs/dbraw/zinc/99/08/35/954990835.db2.gz PHCRMTRJZMQGQT-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]C/C=C/Cl)C1 ZINC001284448687 955104320 /nfs/dbraw/zinc/10/43/20/955104320.db2.gz QWKMAHFKPOULIZ-CBSYICTRSA-N 1 3 303.834 0.490 20 0 DCADHO CC[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H]1CCN(C)C1=O ZINC001367150062 955404683 /nfs/dbraw/zinc/40/46/83/955404683.db2.gz OURFUMKBGNBLDU-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H]([NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)C(N)=O ZINC001367179383 955434377 /nfs/dbraw/zinc/43/43/77/955434377.db2.gz DTJIJDBRUSYLRP-AWEZNQCLSA-N 1 3 321.425 0.434 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001367198885 955453471 /nfs/dbraw/zinc/45/34/71/955453471.db2.gz BVUSEWVCANHFCU-LXTVHRRPSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001367243135 955514349 /nfs/dbraw/zinc/51/43/49/955514349.db2.gz MWZGXEOPJBVBLF-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001367252101 955530943 /nfs/dbraw/zinc/53/09/43/955530943.db2.gz ZZRWNAIHKRSZCM-DZGCQCFKSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNCc1cn(C)nn1 ZINC001367252101 955530950 /nfs/dbraw/zinc/53/09/50/955530950.db2.gz ZZRWNAIHKRSZCM-DZGCQCFKSA-N 1 3 322.457 0.530 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001367298531 955610333 /nfs/dbraw/zinc/61/03/33/955610333.db2.gz ZLYBHCYQUJEPDA-NEPJUHHUSA-N 1 3 310.398 0.477 20 0 DCADHO COc1cc(CNC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001367298531 955610341 /nfs/dbraw/zinc/61/03/41/955610341.db2.gz ZLYBHCYQUJEPDA-NEPJUHHUSA-N 1 3 310.398 0.477 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)C[C@H](O)C[NH3+])cc2)CC1 ZINC001353580629 956112015 /nfs/dbraw/zinc/11/20/15/956112015.db2.gz AIIGELTUVGMKMA-HNNXBMFYSA-N 1 3 306.410 0.477 20 0 DCADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001416049416 956207781 /nfs/dbraw/zinc/20/77/81/956207781.db2.gz GQVZPDVZQBQNSY-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001416049416 956207793 /nfs/dbraw/zinc/20/77/93/956207793.db2.gz GQVZPDVZQBQNSY-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO COCCNCC(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001355560543 956675564 /nfs/dbraw/zinc/67/55/64/956675564.db2.gz ZWUKTBFZBXTTIY-RHSMWYFYSA-N 1 3 319.405 0.595 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001356793803 957036986 /nfs/dbraw/zinc/03/69/86/957036986.db2.gz FPCZNWYXYNAUIN-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001357391111 957267675 /nfs/dbraw/zinc/26/76/75/957267675.db2.gz FLOJZOZZOITHSE-KFWWJZLASA-N 1 3 324.469 0.291 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001367358913 957714338 /nfs/dbraw/zinc/71/43/38/957714338.db2.gz QLORWDLJBUNVQE-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001367358913 957714346 /nfs/dbraw/zinc/71/43/46/957714346.db2.gz QLORWDLJBUNVQE-OCCSQVGLSA-N 1 3 322.457 0.924 20 0 DCADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H]1CCNC1=O ZINC001367476871 957868088 /nfs/dbraw/zinc/86/80/88/957868088.db2.gz ATQPBMPQYJWVBM-UONOGXRCSA-N 1 3 324.469 0.480 20 0 DCADHO Cc1cc(C)n(CCN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001367555119 958028742 /nfs/dbraw/zinc/02/87/42/958028742.db2.gz ZGSOBGHVWPRTTO-INIZCTEOSA-N 1 3 321.469 0.842 20 0 DCADHO Cc1cc(C)n(CCN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001367555119 958028751 /nfs/dbraw/zinc/02/87/51/958028751.db2.gz ZGSOBGHVWPRTTO-INIZCTEOSA-N 1 3 321.469 0.842 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1cn(C)nn1 ZINC001367574551 958083764 /nfs/dbraw/zinc/08/37/64/958083764.db2.gz HNDUPEZAFZLOGK-DZGCQCFKSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1cn(C)nn1 ZINC001367574551 958083778 /nfs/dbraw/zinc/08/37/78/958083778.db2.gz HNDUPEZAFZLOGK-DZGCQCFKSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001367621684 958202676 /nfs/dbraw/zinc/20/26/76/958202676.db2.gz KZTZXWUKKWALPL-UONOGXRCSA-N 1 3 313.467 0.963 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(C)(C)C)[NH+](C)C ZINC001367677832 958340199 /nfs/dbraw/zinc/34/01/99/958340199.db2.gz QEXSQKJNXKRVCE-OCCSQVGLSA-N 1 3 314.474 0.582 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21)N(C)C ZINC001367739547 958474805 /nfs/dbraw/zinc/47/48/05/958474805.db2.gz VXUHGTOSLNVAJM-GUTXKFCHSA-N 1 3 322.457 0.446 20 0 DCADHO C[C@@H](C[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)C1(N(C)C)CCC1 ZINC001367740552 958479444 /nfs/dbraw/zinc/47/94/44/958479444.db2.gz RACKRURMTJYRNW-ZDUSSCGKSA-N 1 3 320.437 0.464 20 0 DCADHO C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001367770906 958539363 /nfs/dbraw/zinc/53/93/63/958539363.db2.gz ICZWOFDLHLNUCH-LBPRGKRZSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298412104 958589515 /nfs/dbraw/zinc/58/95/15/958589515.db2.gz BQAPJYTVRBVZBY-SCOBNMCVSA-N 1 3 319.409 0.001 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001298412104 958589524 /nfs/dbraw/zinc/58/95/24/958589524.db2.gz BQAPJYTVRBVZBY-SCOBNMCVSA-N 1 3 319.409 0.001 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001362095841 958728558 /nfs/dbraw/zinc/72/85/58/958728558.db2.gz JBGWTFQDMWQXGZ-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001362095841 958728571 /nfs/dbraw/zinc/72/85/71/958728571.db2.gz JBGWTFQDMWQXGZ-INIZCTEOSA-N 1 3 310.486 0.861 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001491604663 959025311 /nfs/dbraw/zinc/02/53/11/959025311.db2.gz ZWDJGENRLNNSBJ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001491604663 959025327 /nfs/dbraw/zinc/02/53/27/959025327.db2.gz ZWDJGENRLNNSBJ-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001491682675 959044668 /nfs/dbraw/zinc/04/46/68/959044668.db2.gz NUGHXHVKVQZAPR-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cccc(C(N)=O)c1 ZINC001491674760 959116961 /nfs/dbraw/zinc/11/69/61/959116961.db2.gz VUMGMSZWQAKCJT-SWLSCSKDSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cccc(C(N)=O)c1 ZINC001491674760 959116967 /nfs/dbraw/zinc/11/69/67/959116967.db2.gz VUMGMSZWQAKCJT-SWLSCSKDSA-N 1 3 318.421 0.332 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001376919797 959139602 /nfs/dbraw/zinc/13/96/02/959139602.db2.gz YSRPEVPISJONQU-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)c1 ZINC001376957417 959203319 /nfs/dbraw/zinc/20/33/19/959203319.db2.gz ODDNGYMZJOYXKX-AWEZNQCLSA-N 1 3 318.421 0.285 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001491859183 959315604 /nfs/dbraw/zinc/31/56/04/959315604.db2.gz QVIZCHADCLYCNZ-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001368156200 959352086 /nfs/dbraw/zinc/35/20/86/959352086.db2.gz FNZLOPIVHFVOQD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001368156200 959352096 /nfs/dbraw/zinc/35/20/96/959352096.db2.gz FNZLOPIVHFVOQD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)(C(=O)NCC1([NH2+]CCO)CCOCC1)N1CCCC1 ZINC001368230828 959473487 /nfs/dbraw/zinc/47/34/87/959473487.db2.gz BMHVXXKGULSSNM-UHFFFAOYSA-N 1 3 313.442 0.108 20 0 DCADHO COc1nccc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001492128614 959610782 /nfs/dbraw/zinc/61/07/82/959610782.db2.gz YQKWLWUSMGRDIG-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001492128614 959610792 /nfs/dbraw/zinc/61/07/92/959610792.db2.gz YQKWLWUSMGRDIG-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC1CC1)C2 ZINC001368327689 959683295 /nfs/dbraw/zinc/68/32/95/959683295.db2.gz RXDJTBCSAZKOBV-CFVMTHIKSA-N 1 3 322.453 0.186 20 0 DCADHO CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001377293341 959873435 /nfs/dbraw/zinc/87/34/35/959873435.db2.gz PRIRMGFBYABYQP-AWEZNQCLSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CCCN1C ZINC001492439757 959958989 /nfs/dbraw/zinc/95/89/89/959958989.db2.gz MHJUNHDPEYPATL-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccn(C)n1 ZINC001377432488 960092777 /nfs/dbraw/zinc/09/27/77/960092777.db2.gz MYCADYPNORNMRE-XJKSGUPXSA-N 1 3 319.453 0.746 20 0 DCADHO CC[C@H](C(=O)NC1(C[NH2+]C[C@@H](C)OC)CCOCC1)N(C)C ZINC001368634079 960108868 /nfs/dbraw/zinc/10/88/68/960108868.db2.gz ANLMAFZIXVXNRD-ZIAGYGMSSA-N 1 3 315.458 0.617 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001368643643 960114985 /nfs/dbraw/zinc/11/49/85/960114985.db2.gz KUEJLWUCCCEMGT-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N(C)CC1CC1 ZINC001368649114 960120747 /nfs/dbraw/zinc/12/07/47/960120747.db2.gz GCWPCKKMTQXHQB-HIFRSBDPSA-N 1 3 324.469 0.243 20 0 DCADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H](C)COC ZINC001368655035 960126853 /nfs/dbraw/zinc/12/68/53/960126853.db2.gz CKWHZFICQPKPPH-GZBFAFLISA-N 1 3 324.425 0.440 20 0 DCADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](CNCC(N)=O)C1 ZINC001368669451 960143694 /nfs/dbraw/zinc/14/36/94/960143694.db2.gz UIGKCRXQRCFSNB-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](CNCC(N)=O)C1 ZINC001368669451 960143699 /nfs/dbraw/zinc/14/36/99/960143699.db2.gz UIGKCRXQRCFSNB-MCIONIFRSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001377466054 960146394 /nfs/dbraw/zinc/14/63/94/960146394.db2.gz GCNWSRVECTXASV-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001377466054 960146396 /nfs/dbraw/zinc/14/63/96/960146396.db2.gz GCNWSRVECTXASV-GJZGRUSLSA-N 1 3 307.442 0.661 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCNC1=O ZINC001368717386 960189496 /nfs/dbraw/zinc/18/94/96/960189496.db2.gz KNMBVTRYRGWWGY-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@H](C)NCc1nccn1C)[NH+](C)C ZINC001368751024 960226371 /nfs/dbraw/zinc/22/63/71/960226371.db2.gz WTBMKRFZQSLTAR-DZGCQCFKSA-N 1 3 309.458 0.991 20 0 DCADHO CCN(C(=O)CN1CCCC1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001413840484 960228483 /nfs/dbraw/zinc/22/84/83/960228483.db2.gz TVMGKIYGTVWDNZ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC(C)[C@H](C(=O)NC1CC(CNCc2nccn2C)C1)[NH+](C)C ZINC001368822289 960319399 /nfs/dbraw/zinc/31/93/99/960319399.db2.gz KUDNWTFZFNLSBB-ZBCRRDGASA-N 1 3 321.469 0.991 20 0 DCADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001377701163 960463087 /nfs/dbraw/zinc/46/30/87/960463087.db2.gz GTNAWWWFAGQLRS-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCN(CC)C1=O ZINC001378331251 960598681 /nfs/dbraw/zinc/59/86/81/960598681.db2.gz BHUYQJXFTUWJHB-KGLIPLIRSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCN(CC)C1=O ZINC001378331248 960599777 /nfs/dbraw/zinc/59/97/77/960599777.db2.gz BHUYQJXFTUWJHB-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1)C(N)=O ZINC001378437706 960755110 /nfs/dbraw/zinc/75/51/10/960755110.db2.gz IRGWTGSSHRIFKF-IHRRRGAJSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H](NCc1cnn(C)c1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001377853332 960813364 /nfs/dbraw/zinc/81/33/64/960813364.db2.gz UKZIQWCOZILHCU-OLZOCXBDSA-N 1 3 307.442 0.745 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363432231 961143322 /nfs/dbraw/zinc/14/33/22/961143322.db2.gz PPUOKDQMPGMECZ-UHFFFAOYSA-N 1 3 321.425 0.038 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549033481 1013237168 /nfs/dbraw/zinc/23/71/68/1013237168.db2.gz MPDMFMUSDBWZJG-SOUVJXGZSA-N 1 3 305.426 0.548 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001378691751 961287963 /nfs/dbraw/zinc/28/79/63/961287963.db2.gz RNIVGYBCHYQZIJ-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001378691751 961287969 /nfs/dbraw/zinc/28/79/69/961287969.db2.gz RNIVGYBCHYQZIJ-KGLIPLIRSA-N 1 3 322.453 0.507 20 0 DCADHO C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001447091007 1013247705 /nfs/dbraw/zinc/24/77/05/1013247705.db2.gz SSDQGCXWDUVJRP-IHRRRGAJSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001378781642 961466937 /nfs/dbraw/zinc/46/69/37/961466937.db2.gz QQKQJGCCQTZXBT-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1cnn(C)c1)[NH+](C)C ZINC001378814095 961530304 /nfs/dbraw/zinc/53/03/04/961530304.db2.gz UNLSZPOQKXZHLZ-DZGCQCFKSA-N 1 3 309.458 0.943 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001378892410 961665321 /nfs/dbraw/zinc/66/53/21/961665321.db2.gz QPCJTSBYCBPHQE-AJNGGQMLSA-N 1 3 324.469 0.480 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C1CC1 ZINC001379854932 962150030 /nfs/dbraw/zinc/15/00/30/962150030.db2.gz IDMHOBSGDSYKIT-UONOGXRCSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001379239707 962437358 /nfs/dbraw/zinc/43/73/58/962437358.db2.gz JYWIBIXAJNCDBT-DZGCQCFKSA-N 1 3 309.458 0.739 20 0 DCADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001379245687 962455575 /nfs/dbraw/zinc/45/55/75/962455575.db2.gz YWARZEJWBBVZJJ-GDBMZVCRSA-N 1 3 322.453 0.543 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@H]1CN2CCN1C[C@@H]2C ZINC001364235211 962725863 /nfs/dbraw/zinc/72/58/63/962725863.db2.gz LMHOGHANJCDJIP-ARFHVFGLSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001364235211 962725879 /nfs/dbraw/zinc/72/58/79/962725879.db2.gz LMHOGHANJCDJIP-ARFHVFGLSA-N 1 3 308.470 0.563 20 0 DCADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001364235211 962725886 /nfs/dbraw/zinc/72/58/86/962725886.db2.gz LMHOGHANJCDJIP-ARFHVFGLSA-N 1 3 308.470 0.563 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](CO)NCc2ccc(F)cc2)CC1 ZINC001379470905 962997395 /nfs/dbraw/zinc/99/73/95/962997395.db2.gz TWXXBQATDUJBQZ-INIZCTEOSA-N 1 3 323.412 0.734 20 0 DCADHO C[NH+]1CCC(CC(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC1 ZINC001380328063 963044760 /nfs/dbraw/zinc/04/47/60/963044760.db2.gz MTXHMUUNMXVYJC-HNNXBMFYSA-N 1 3 324.469 0.468 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccnn1C ZINC001379509149 963096150 /nfs/dbraw/zinc/09/61/50/963096150.db2.gz KSNNPKYURIEUCI-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccnn1C ZINC001379509149 963096162 /nfs/dbraw/zinc/09/61/62/963096162.db2.gz KSNNPKYURIEUCI-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001379511592 963098847 /nfs/dbraw/zinc/09/88/47/963098847.db2.gz XLFFNLBVXHVJCZ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001379511592 963098865 /nfs/dbraw/zinc/09/88/65/963098865.db2.gz XLFFNLBVXHVJCZ-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001379530991 963139586 /nfs/dbraw/zinc/13/95/86/963139586.db2.gz VLWIYZDYNJVMCB-JKSUJKDBSA-N 1 3 305.422 0.513 20 0 DCADHO Cc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001379530991 963139594 /nfs/dbraw/zinc/13/95/94/963139594.db2.gz VLWIYZDYNJVMCB-JKSUJKDBSA-N 1 3 305.422 0.513 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001379547115 963164913 /nfs/dbraw/zinc/16/49/13/963164913.db2.gz CRXYBWOXEOSAFW-DOMZBBRYSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cncn1C ZINC001379603522 963255957 /nfs/dbraw/zinc/25/59/57/963255957.db2.gz ZXSVAXIDNDVQTP-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001379689213 963386484 /nfs/dbraw/zinc/38/64/84/963386484.db2.gz NMEXURALXDEBGQ-YOEHRIQHSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001379689213 963386492 /nfs/dbraw/zinc/38/64/92/963386492.db2.gz NMEXURALXDEBGQ-YOEHRIQHSA-N 1 3 324.469 0.386 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NCc2cn(C)nn2)C1 ZINC001380675908 963481877 /nfs/dbraw/zinc/48/18/77/963481877.db2.gz VBUWZLTXOKEECH-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NCc2cn(C)nn2)C1 ZINC001380675908 963481887 /nfs/dbraw/zinc/48/18/87/963481887.db2.gz VBUWZLTXOKEECH-KBPBESRZSA-N 1 3 322.457 0.484 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001380683818 963488782 /nfs/dbraw/zinc/48/87/82/963488782.db2.gz CKXHHMXTHUMZJB-KBPBESRZSA-N 1 3 322.457 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC001381108280 963820578 /nfs/dbraw/zinc/82/05/78/963820578.db2.gz NCGZMSHHFIXENJ-HIFRSBDPSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NCc1ccn(C)n1 ZINC001381210536 963893851 /nfs/dbraw/zinc/89/38/51/963893851.db2.gz GZXDWUVILKFNAF-ZDUSSCGKSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001381214480 963897172 /nfs/dbraw/zinc/89/71/72/963897172.db2.gz PRLAWCHTWADAJC-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001447539897 1013462349 /nfs/dbraw/zinc/46/23/49/1013462349.db2.gz PGCHLXPROPQZTJ-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001447539897 1013462357 /nfs/dbraw/zinc/46/23/57/1013462357.db2.gz PGCHLXPROPQZTJ-SOUVJXGZSA-N 1 3 324.469 0.432 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001375432376 964395284 /nfs/dbraw/zinc/39/52/84/964395284.db2.gz OGIKYEDLXLGDTP-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001375432376 964395294 /nfs/dbraw/zinc/39/52/94/964395294.db2.gz OGIKYEDLXLGDTP-ZIAGYGMSSA-N 1 3 322.453 0.378 20 0 DCADHO C[NH+](C)CCC(=O)NCC1(NCc2ccc(C(N)=O)cc2)CC1 ZINC001375465227 964435287 /nfs/dbraw/zinc/43/52/87/964435287.db2.gz LARRBVDJRVGVAJ-UHFFFAOYSA-N 1 3 318.421 0.476 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001369154535 964465976 /nfs/dbraw/zinc/46/59/76/964465976.db2.gz FDIMHRVNMJJHFJ-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001369154535 964465986 /nfs/dbraw/zinc/46/59/86/964465986.db2.gz FDIMHRVNMJJHFJ-HZSPNIEDSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001373695122 964488413 /nfs/dbraw/zinc/48/84/13/964488413.db2.gz BKAJROYJCCWPPQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001373695122 964488421 /nfs/dbraw/zinc/48/84/21/964488421.db2.gz BKAJROYJCCWPPQ-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CN(Cc1cnn(C)c1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001369187766 964502509 /nfs/dbraw/zinc/50/25/09/964502509.db2.gz UYJIGAQCORGZMA-UHFFFAOYSA-N 1 3 307.442 0.795 20 0 DCADHO CNC(=O)CN(C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001369186077 964503031 /nfs/dbraw/zinc/50/30/31/964503031.db2.gz IUHYUYVNMVEVHC-OAHLLOKOSA-N 1 3 312.458 0.241 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001375542509 964531181 /nfs/dbraw/zinc/53/11/81/964531181.db2.gz OGMUJTWJILRRBM-HDJSIYSDSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccnn1C)N(C)C ZINC001369292260 964667168 /nfs/dbraw/zinc/66/71/68/964667168.db2.gz LBESFZSAYAXBDB-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCN1C(C)C)C1CC1 ZINC001373878407 964743769 /nfs/dbraw/zinc/74/37/69/964743769.db2.gz XHHQXPHGBCBSQQ-WMLDXEAASA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C)c1)N(C)C ZINC001369334353 964769299 /nfs/dbraw/zinc/76/92/99/964769299.db2.gz VFJPYIIBEACOKV-JKSUJKDBSA-N 1 3 307.438 0.902 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001373962163 964821562 /nfs/dbraw/zinc/82/15/62/964821562.db2.gz XBFOMTSWEMOLEA-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001369429737 964963595 /nfs/dbraw/zinc/96/35/95/964963595.db2.gz YRZWLIWFISJAST-CHWSQXEVSA-N 1 3 312.458 0.324 20 0 DCADHO CN1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CC(N)=O)CC1 ZINC001375916615 964976500 /nfs/dbraw/zinc/97/65/00/964976500.db2.gz IHJFTLMYSHSOBV-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccn(C)c(=O)c1 ZINC001374112320 965025157 /nfs/dbraw/zinc/02/51/57/965025157.db2.gz NFKKVFNSGNIKGZ-AWEZNQCLSA-N 1 3 322.453 0.567 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369516986 965127929 /nfs/dbraw/zinc/12/79/29/965127929.db2.gz UOQNUGGKGQWHNG-IAGOWNOFSA-N 1 3 319.449 0.889 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369516986 965127937 /nfs/dbraw/zinc/12/79/37/965127937.db2.gz UOQNUGGKGQWHNG-IAGOWNOFSA-N 1 3 319.449 0.889 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001374244429 965179240 /nfs/dbraw/zinc/17/92/40/965179240.db2.gz MRMHVPJHAWNSDU-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001374244429 965179245 /nfs/dbraw/zinc/17/92/45/965179245.db2.gz MRMHVPJHAWNSDU-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C1(C(=O)N(C)C2CC([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001369581212 965192153 /nfs/dbraw/zinc/19/21/53/965192153.db2.gz GETYVQZJFKBPLT-RUXDESIVSA-N 1 3 322.453 0.280 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001369586577 965196688 /nfs/dbraw/zinc/19/66/88/965196688.db2.gz OKYYWDXBMASKED-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO CCCNC(=O)C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001369585861 965196711 /nfs/dbraw/zinc/19/67/11/965196711.db2.gz ZXTPXCDNJTZZIV-WLYUNCDWSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374312434 965264455 /nfs/dbraw/zinc/26/44/55/965264455.db2.gz LOJVKITVNGGMHZ-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1ccnn1C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374312434 965264461 /nfs/dbraw/zinc/26/44/61/965264461.db2.gz LOJVKITVNGGMHZ-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCc2ccnn2C)CC[N@@H+]1C ZINC001374490430 965444598 /nfs/dbraw/zinc/44/45/98/965444598.db2.gz JOLUKAKWPWQTLA-GDBMZVCRSA-N 1 3 321.469 0.693 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)CCc2ccnn2C)CC[N@H+]1C ZINC001374490430 965444602 /nfs/dbraw/zinc/44/46/02/965444602.db2.gz JOLUKAKWPWQTLA-GDBMZVCRSA-N 1 3 321.469 0.693 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376348299 965550636 /nfs/dbraw/zinc/55/06/36/965550636.db2.gz XICULUXMLVDFDL-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]([NH2+]CCn1cncn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376347881 965552401 /nfs/dbraw/zinc/55/24/01/965552401.db2.gz PLMANCVVLMNHSO-GJZGRUSLSA-N 1 3 320.441 0.201 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@@]23CCOC3)C1 ZINC001376403048 965618184 /nfs/dbraw/zinc/61/81/84/965618184.db2.gz RLIVPMSRIQXQTN-QBYUYEEZSA-N 1 3 309.454 0.992 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001374712445 965796415 /nfs/dbraw/zinc/79/64/15/965796415.db2.gz KXWDDIIQPHNUPW-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001374712445 965796424 /nfs/dbraw/zinc/79/64/24/965796424.db2.gz KXWDDIIQPHNUPW-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001376546816 965813084 /nfs/dbraw/zinc/81/30/84/965813084.db2.gz LYVSYKMSAJBGHV-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001370388062 966070275 /nfs/dbraw/zinc/07/02/75/966070275.db2.gz CYWGCMAAWOKZKB-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001370388062 966070287 /nfs/dbraw/zinc/07/02/87/966070287.db2.gz CYWGCMAAWOKZKB-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C1CC1 ZINC001376729872 966081560 /nfs/dbraw/zinc/08/15/60/966081560.db2.gz YGNUHWOGHMIQMA-IUODEOHRSA-N 1 3 322.453 0.043 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001374894335 966104201 /nfs/dbraw/zinc/10/42/01/966104201.db2.gz IBXXFKUMPBLRJE-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](NCc1cncn1C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001447898116 1013631699 /nfs/dbraw/zinc/63/16/99/1013631699.db2.gz JSRYQBDIRBGBQU-STQMWFEESA-N 1 3 307.442 0.745 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001447905014 1013638175 /nfs/dbraw/zinc/63/81/75/1013638175.db2.gz GOANFCYSOZUJRC-QWHCGFSZSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)CCn1cccn1)[NH+](C)C ZINC001375093933 966344251 /nfs/dbraw/zinc/34/42/51/966344251.db2.gz IDHXGILJBXSKCJ-HUUCEWRRSA-N 1 3 309.458 0.906 20 0 DCADHO Cc1cc(C)n(CCN(C)C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001375101671 966352902 /nfs/dbraw/zinc/35/29/02/966352902.db2.gz PQZQIHLQDHCTJV-AWEZNQCLSA-N 1 3 309.458 0.888 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C1)N(C)C ZINC001370708864 966403834 /nfs/dbraw/zinc/40/38/34/966403834.db2.gz BVRBARYOSALUBT-HZSPNIEDSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001370710082 966404067 /nfs/dbraw/zinc/40/40/67/966404067.db2.gz GRECXLXBVFOSTB-GUTXKFCHSA-N 1 3 307.442 0.743 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001381521484 966494679 /nfs/dbraw/zinc/49/46/79/966494679.db2.gz YGNYNYZISRBVPK-GJZGRUSLSA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001381521484 966494684 /nfs/dbraw/zinc/49/46/84/966494684.db2.gz YGNYNYZISRBVPK-GJZGRUSLSA-N 1 3 322.457 0.587 20 0 DCADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001370931309 966596313 /nfs/dbraw/zinc/59/63/13/966596313.db2.gz NVXWZMVZQVADDV-ZDUSSCGKSA-N 1 3 308.426 0.071 20 0 DCADHO C[NH+]1CCC(CC(=O)N2CCCC[C@H]2CNCC(N)=O)CC1 ZINC001370957543 966619138 /nfs/dbraw/zinc/61/91/38/966619138.db2.gz XJUNVPIJFMQWGH-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CCCC[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001381745366 966659577 /nfs/dbraw/zinc/65/95/77/966659577.db2.gz JVVDEQNLZCSWQS-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCC[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001381745366 966659582 /nfs/dbraw/zinc/65/95/82/966659582.db2.gz JVVDEQNLZCSWQS-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001371027523 966678540 /nfs/dbraw/zinc/67/85/40/966678540.db2.gz VVURSNOHVYKNDX-NPCUJANDSA-N 1 3 309.454 0.536 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001371027523 966678543 /nfs/dbraw/zinc/67/85/43/966678543.db2.gz VVURSNOHVYKNDX-NPCUJANDSA-N 1 3 309.454 0.536 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCCCC1 ZINC001371193604 966801002 /nfs/dbraw/zinc/80/10/02/966801002.db2.gz YOXGWJGKRQGGLA-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCCCC1 ZINC001371193604 966801009 /nfs/dbraw/zinc/80/10/09/966801009.db2.gz YOXGWJGKRQGGLA-RRFJBIMHSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2)C(=O)N(C)C ZINC001371268886 966859593 /nfs/dbraw/zinc/85/95/93/966859593.db2.gz UEXJKJCBSDYUJZ-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001382017146 966867781 /nfs/dbraw/zinc/86/77/81/966867781.db2.gz IQBAJKQABCNBBB-SWLSCSKDSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001382091183 966931968 /nfs/dbraw/zinc/93/19/68/966931968.db2.gz UIWIWMDFODYCJW-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)C)N(C)C ZINC001382156371 966987017 /nfs/dbraw/zinc/98/70/17/966987017.db2.gz GPKYXVYYIRZAEI-STQMWFEESA-N 1 3 300.447 0.288 20 0 DCADHO CC1CC(C[NH2+][C@H](CO)CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001382239854 967108490 /nfs/dbraw/zinc/10/84/90/967108490.db2.gz GVVDCCNTHUFRIQ-NRXISQOPSA-N 1 3 311.470 0.974 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001371555577 967114020 /nfs/dbraw/zinc/11/40/20/967114020.db2.gz KMRXDBRZPZPQRJ-HNNXBMFYSA-N 1 3 307.442 0.759 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001371568670 967128508 /nfs/dbraw/zinc/12/85/08/967128508.db2.gz HELXFGOSABJPRF-CABCVRRESA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001371575119 967135172 /nfs/dbraw/zinc/13/51/72/967135172.db2.gz YJLBIVXZPIWQMV-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC001371609081 967168289 /nfs/dbraw/zinc/16/82/89/967168289.db2.gz AXMYZZJPTPDUJE-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001382344599 967244200 /nfs/dbraw/zinc/24/42/00/967244200.db2.gz LBNWNYSCILAKQQ-UONOGXRCSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+][C@@H](C)C(N)=O ZINC001371765782 967321823 /nfs/dbraw/zinc/32/18/23/967321823.db2.gz WNIFGIDORYCPMW-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccnc1)N(C)C ZINC001382437154 967372978 /nfs/dbraw/zinc/37/29/78/967372978.db2.gz ULHHOVZKNGPEBE-GJZGRUSLSA-N 1 3 308.426 0.331 20 0 DCADHO CC1CC(C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001382471725 967420028 /nfs/dbraw/zinc/42/00/28/967420028.db2.gz REOVUBVFKRODBB-SSDMNJCBSA-N 1 3 308.426 0.749 20 0 DCADHO CC1CC(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001382471725 967420033 /nfs/dbraw/zinc/42/00/33/967420033.db2.gz REOVUBVFKRODBB-SSDMNJCBSA-N 1 3 308.426 0.749 20 0 DCADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@@H]2CCc3ncnn32)CCC1 ZINC001372001891 967539470 /nfs/dbraw/zinc/53/94/70/967539470.db2.gz ZENZLRBVDHFGIF-ZDUSSCGKSA-N 1 3 320.441 0.298 20 0 DCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@@H]2CCc3ncnn32)CCC1 ZINC001372001891 967539477 /nfs/dbraw/zinc/53/94/77/967539477.db2.gz ZENZLRBVDHFGIF-ZDUSSCGKSA-N 1 3 320.441 0.298 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)N(C)C(=O)CC[NH+](C)C ZINC001383011994 967850011 /nfs/dbraw/zinc/85/00/11/967850011.db2.gz REKYEBIXBRGWLA-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1CCn1cncn1 ZINC001372542694 968103035 /nfs/dbraw/zinc/10/30/35/968103035.db2.gz RQVCPYRDXJEFHW-CQSZACIVSA-N 1 3 308.430 0.201 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430866215 1013772029 /nfs/dbraw/zinc/77/20/29/1013772029.db2.gz UXLATWMPAJWQCF-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430866215 1013772036 /nfs/dbraw/zinc/77/20/36/1013772036.db2.gz UXLATWMPAJWQCF-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C)N(C)C ZINC001372726976 968297000 /nfs/dbraw/zinc/29/70/00/968297000.db2.gz NLRZOEKHFBJVGH-CTASWTNQSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)CN1CCC[C@H]1C ZINC001448168740 1013797889 /nfs/dbraw/zinc/79/78/89/1013797889.db2.gz GKNHRQMUDXIXFH-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001372995961 968607761 /nfs/dbraw/zinc/60/77/61/968607761.db2.gz XDXXHQYNUZRNCT-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001372995961 968607762 /nfs/dbraw/zinc/60/77/62/968607762.db2.gz XDXXHQYNUZRNCT-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO Cc1nnc(CN[C@@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001373001733 968616056 /nfs/dbraw/zinc/61/60/56/968616056.db2.gz YJFFVTDRFHLZIX-LBPRGKRZSA-N 1 3 322.457 0.782 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001373012632 968624839 /nfs/dbraw/zinc/62/48/39/968624839.db2.gz HOILXPGMGOGPEF-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001373012632 968624842 /nfs/dbraw/zinc/62/48/42/968624842.db2.gz HOILXPGMGOGPEF-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCCC[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001448255623 1013845743 /nfs/dbraw/zinc/84/57/43/1013845743.db2.gz ARIOZTVEQMCVQH-UONOGXRCSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001448355699 1013883944 /nfs/dbraw/zinc/88/39/44/1013883944.db2.gz MSQXGBGJQDCDSN-LSDHHAIUSA-N 1 3 324.469 0.245 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001448644044 1013978492 /nfs/dbraw/zinc/97/84/92/1013978492.db2.gz AVSIRWSMZHOWRQ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001448644044 1013978494 /nfs/dbraw/zinc/97/84/94/1013978494.db2.gz AVSIRWSMZHOWRQ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001431310047 1013990185 /nfs/dbraw/zinc/99/01/85/1013990185.db2.gz HRPVFUVCHTWZQZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001448725321 1014013109 /nfs/dbraw/zinc/01/31/09/1014013109.db2.gz CNWMYXAHRSAUCS-GFCCVEGCSA-N 1 3 317.393 0.288 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001448943787 1014103436 /nfs/dbraw/zinc/10/34/36/1014103436.db2.gz OJKASOTYSWBLHZ-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)[C@H]1C ZINC001448982253 1014117257 /nfs/dbraw/zinc/11/72/57/1014117257.db2.gz XQDITZPJCVCRKY-TZMCWYRMSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001528138951 1014214318 /nfs/dbraw/zinc/21/43/18/1014214318.db2.gz DIHRUTYLSADUEJ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001528138951 1014214326 /nfs/dbraw/zinc/21/43/26/1014214326.db2.gz DIHRUTYLSADUEJ-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](CNCC(=O)NC)C(C)(C)C ZINC001449314949 1014404023 /nfs/dbraw/zinc/40/40/23/1014404023.db2.gz JMNXXLHWABMIFK-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](CNCC(=O)NC)C(C)(C)C ZINC001449314949 1014404027 /nfs/dbraw/zinc/40/40/27/1014404027.db2.gz JMNXXLHWABMIFK-LBPRGKRZSA-N 1 3 300.447 0.195 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H](N)Cc3ccccc3)C[C@@H]2[NH3+])c1 ZINC001549734798 1014433455 /nfs/dbraw/zinc/43/34/55/1014433455.db2.gz GPUDXJKHCNGLKX-ILXRZTDVSA-N 1 3 313.405 0.243 20 0 DCADHO Cn1cnc([C@@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@@H]2[NH3+])c1 ZINC001549738770 1014435868 /nfs/dbraw/zinc/43/58/68/1014435868.db2.gz KMFMTOVFKBBBCT-CABCVRRESA-N 1 3 311.389 0.590 20 0 DCADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cnn3c2CNCC3)CC1 ZINC001549752235 1014445283 /nfs/dbraw/zinc/44/52/83/1014445283.db2.gz LBDDAFIWTSZMAU-RDJZCZTQSA-N 1 3 319.453 0.705 20 0 DCADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1)C1CCC1 ZINC001449388124 1014452494 /nfs/dbraw/zinc/45/24/94/1014452494.db2.gz RLJZWONCZCMPPA-UHFFFAOYSA-N 1 3 320.441 0.378 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2CC)C1 ZINC001449408541 1014463684 /nfs/dbraw/zinc/46/36/84/1014463684.db2.gz ZLBHPDLHYPPMBD-NRXISQOPSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)c1[nH]nc2c1CNCC2 ZINC001550078501 1014554031 /nfs/dbraw/zinc/55/40/31/1014554031.db2.gz XEDBEQMMFJCEEM-IUODEOHRSA-N 1 3 311.389 0.541 20 0 DCADHO O=C(N[C@H]1C[NH2+]C[C@H]1c1ccccc1)c1[nH]nc2c1CNCC2 ZINC001550078503 1014554196 /nfs/dbraw/zinc/55/41/96/1014554196.db2.gz XEDBEQMMFJCEEM-WFASDCNBSA-N 1 3 311.389 0.541 20 0 DCADHO CN(CC(=O)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001523148489 1014583871 /nfs/dbraw/zinc/58/38/71/1014583871.db2.gz HRNZFYDRGMVUDV-HNNXBMFYSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001449648525 1014610290 /nfs/dbraw/zinc/61/02/90/1014610290.db2.gz DMIGYQUDGZYQDI-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001550193734 1014621470 /nfs/dbraw/zinc/62/14/70/1014621470.db2.gz GZSBDYLCTYBXSC-SOUVJXGZSA-N 1 3 310.442 0.368 20 0 DCADHO CN1C[C@H](O)C[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001550193734 1014621477 /nfs/dbraw/zinc/62/14/77/1014621477.db2.gz GZSBDYLCTYBXSC-SOUVJXGZSA-N 1 3 310.442 0.368 20 0 DCADHO CC[C@H]([NH2+]C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550199329 1014622509 /nfs/dbraw/zinc/62/25/09/1014622509.db2.gz AYNFFVRLPNFTOV-ZDUSSCGKSA-N 1 3 310.442 0.317 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC001550203680 1014625637 /nfs/dbraw/zinc/62/56/37/1014625637.db2.gz QPGVPRPQOLJTDA-AWEZNQCLSA-N 1 3 322.453 0.446 20 0 DCADHO [NH3+][C@@H]1COCCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC001550265878 1014641217 /nfs/dbraw/zinc/64/12/17/1014641217.db2.gz QSIPMTWAPCOBHD-DZGCQCFKSA-N 1 3 304.394 0.243 20 0 DCADHO CN(CC(=O)N1CC(NC(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001530611260 1014839091 /nfs/dbraw/zinc/83/90/91/1014839091.db2.gz OETJMYSALWZUDH-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CN1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC001550760447 1014849995 /nfs/dbraw/zinc/84/99/95/1014849995.db2.gz GFFRXYHFRBIOBO-KBPBESRZSA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@@H+]1C ZINC001551099709 1014965755 /nfs/dbraw/zinc/96/57/55/1014965755.db2.gz DHOSZMOIPOGXQL-WCVJEAGWSA-N 1 3 309.454 0.774 20 0 DCADHO C[C@@H]1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[N@H+]1C ZINC001551099709 1014965764 /nfs/dbraw/zinc/96/57/64/1014965764.db2.gz DHOSZMOIPOGXQL-WCVJEAGWSA-N 1 3 309.454 0.774 20 0 DCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2Cc3ccccc3[C@@H]2N)C1 ZINC001551404310 1015037022 /nfs/dbraw/zinc/03/70/22/1015037022.db2.gz WVPHWTPZMHKUCZ-VMGRFDJRSA-N 1 3 302.422 0.398 20 0 DCADHO [NH3+][C@H]1CC12CCC(NC(=O)NC[C@H]1CCCCN1CCO)CC2 ZINC001551569566 1015141518 /nfs/dbraw/zinc/14/15/18/1015141518.db2.gz LURVTKNYJQHVKY-DGNOSDGRSA-N 1 3 324.469 0.792 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)NC2CCC3(C[C@H]3[NH3+])CC2)CCO1 ZINC001551584855 1015148255 /nfs/dbraw/zinc/14/82/55/1015148255.db2.gz RWUOQYDLRWDIKR-IOSBVQAASA-N 1 3 310.442 0.618 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001385625005 986481390 /nfs/dbraw/zinc/48/13/90/986481390.db2.gz LTFZGKOSKCJFFW-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001385706891 986536491 /nfs/dbraw/zinc/53/64/91/986536491.db2.gz XBYGGQCTRKZULK-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)N(C)C ZINC001450663313 1015282023 /nfs/dbraw/zinc/28/20/23/1015282023.db2.gz HKSDCOTUPFRQCE-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO COCCN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1 ZINC001552151521 1015293812 /nfs/dbraw/zinc/29/38/12/1015293812.db2.gz ZHXUUOBWFMUCPT-HZPDHXFCSA-N 1 3 309.454 0.849 20 0 DCADHO CCCN(C)CC(=O)NCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001386728085 987343977 /nfs/dbraw/zinc/34/39/77/987343977.db2.gz IVCJZJCSBSCKLG-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C(c1noc([C@]23C[NH2+]C[C@@H]2COC3)n1)C1=N[C@H]2CCCC[C@@H]2N1 ZINC001552175537 1015305374 /nfs/dbraw/zinc/30/53/74/1015305374.db2.gz BLDZWIVZIYEVKV-YRORDHRNSA-N 1 3 317.393 0.412 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001386790418 987400912 /nfs/dbraw/zinc/40/09/12/987400912.db2.gz GBIWATBPNNJNKZ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001386790418 987400917 /nfs/dbraw/zinc/40/09/17/987400917.db2.gz GBIWATBPNNJNKZ-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001387106807 987637328 /nfs/dbraw/zinc/63/73/28/987637328.db2.gz DLBMTTWQLJRTBC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001387106807 987637331 /nfs/dbraw/zinc/63/73/31/987637331.db2.gz DLBMTTWQLJRTBC-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)CC[NH+](C)C ZINC001387227514 987714925 /nfs/dbraw/zinc/71/49/25/987714925.db2.gz PBIHDBHQELVUCX-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CC(=O)NC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001387291541 987754259 /nfs/dbraw/zinc/75/42/59/987754259.db2.gz KFXAJDSHTXSRRK-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)CC[NH+]1CCCCC1)C(=O)[C@H]1CCCN1C ZINC001387803979 988165457 /nfs/dbraw/zinc/16/54/57/988165457.db2.gz PBSFNISWDDMHES-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001387914995 988279056 /nfs/dbraw/zinc/27/90/56/988279056.db2.gz XVTHJHMAQPJGAJ-CQSZACIVSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1)C(N)=O ZINC001388680414 988506188 /nfs/dbraw/zinc/50/61/88/988506188.db2.gz FCJORVIKMQOGNY-RQJABVFESA-N 1 3 312.458 0.321 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001388749241 988556526 /nfs/dbraw/zinc/55/65/26/988556526.db2.gz VAXGVGCEGCWLHW-ZNMIVQPWSA-N 1 3 324.469 0.481 20 0 DCADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001552422109 1015423340 /nfs/dbraw/zinc/42/33/40/1015423340.db2.gz UIKAQLVMZYAOOB-OAHLLOKOSA-N 1 3 322.453 0.143 20 0 DCADHO Cc1c(C(=O)N(C)C2CCN(C)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436831 1015434833 /nfs/dbraw/zinc/43/48/33/1015434833.db2.gz SIIPUONUSAXZFC-CYBMUJFWSA-N 1 3 306.414 0.287 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)CN(C)C(C)C)[NH+](C)C ZINC001389205647 988981018 /nfs/dbraw/zinc/98/10/18/988981018.db2.gz VXIHZFDEKJZBRB-HIFRSBDPSA-N 1 3 314.474 0.534 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001389218071 988994674 /nfs/dbraw/zinc/99/46/74/988994674.db2.gz DVLYXCGLZSDOIJ-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO N[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[C@H]1F ZINC001552440141 1015439477 /nfs/dbraw/zinc/43/94/77/1015439477.db2.gz NZKWVHKETNOHJK-IJLUTSLNSA-N 1 3 310.377 0.104 20 0 DCADHO CC(C)C[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001389431387 989239443 /nfs/dbraw/zinc/23/94/43/989239443.db2.gz VLOLUHRKYBGZAN-MRXNPFEDSA-N 1 3 312.502 0.962 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001389695970 989497208 /nfs/dbraw/zinc/49/72/08/989497208.db2.gz TWEYIVKCHHVEIL-ZFWWWQNUSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cncc1CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389695970 989497211 /nfs/dbraw/zinc/49/72/11/989497211.db2.gz TWEYIVKCHHVEIL-ZFWWWQNUSA-N 1 3 305.426 0.356 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001389738812 989532173 /nfs/dbraw/zinc/53/21/73/989532173.db2.gz XJSOLKHEPLQURD-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001389901688 989672776 /nfs/dbraw/zinc/67/27/76/989672776.db2.gz STFNOAXAZDIQSR-AAVRWANBSA-N 1 3 320.441 0.342 20 0 DCADHO C[C@H](NC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1nncn1C ZINC001390091265 989809152 /nfs/dbraw/zinc/80/91/52/989809152.db2.gz HNFITRQJEZTPND-KBPBESRZSA-N 1 3 322.457 0.656 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001390108488 989828465 /nfs/dbraw/zinc/82/84/65/989828465.db2.gz POTYRMYDWQDROB-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001390137046 989854955 /nfs/dbraw/zinc/85/49/55/989854955.db2.gz ZTWMQFSEPYYIRG-HNNXBMFYSA-N 1 3 324.469 0.338 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001527671371 1015519326 /nfs/dbraw/zinc/51/93/26/1015519326.db2.gz OHALHAFTYFCOCH-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCC(=O)N(C)C ZINC001390494766 990149500 /nfs/dbraw/zinc/14/95/00/990149500.db2.gz PUGSHICLZRWFNU-CYBMUJFWSA-N 1 3 320.437 0.544 20 0 DCADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NC/C=C\Cl ZINC001390497959 990151103 /nfs/dbraw/zinc/15/11/03/990151103.db2.gz UWOJNGPECYFPQC-RXNFCKPNSA-N 1 3 313.833 0.905 20 0 DCADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NC/C=C/Cl ZINC001390497957 990151750 /nfs/dbraw/zinc/15/17/50/990151750.db2.gz UWOJNGPECYFPQC-ITKZLYELSA-N 1 3 313.833 0.905 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001390503333 990157215 /nfs/dbraw/zinc/15/72/15/990157215.db2.gz DYEUCRSYZQAQDL-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001390511958 990162186 /nfs/dbraw/zinc/16/21/86/990162186.db2.gz VQJRMKIFFLIHRO-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390666412 990289699 /nfs/dbraw/zinc/28/96/99/990289699.db2.gz RVBXTMNERFVAFO-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001391212619 990674263 /nfs/dbraw/zinc/67/42/63/990674263.db2.gz KQSPTXUKWZAFQI-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001391212619 990674264 /nfs/dbraw/zinc/67/42/64/990674264.db2.gz KQSPTXUKWZAFQI-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1ccc(CN2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001391401797 990805588 /nfs/dbraw/zinc/80/55/88/990805588.db2.gz RAFBDADVLUUZCO-HNNXBMFYSA-N 1 3 320.437 0.418 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001391503265 990899369 /nfs/dbraw/zinc/89/93/69/990899369.db2.gz DADUDVLBPZIMOB-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001391696592 991107229 /nfs/dbraw/zinc/10/72/29/991107229.db2.gz QEFRUBKMJKMARI-ZDUSSCGKSA-N 1 3 308.430 0.247 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCN(C)C1=O ZINC001391698364 991109218 /nfs/dbraw/zinc/10/92/18/991109218.db2.gz UOIICOBOZLCHDR-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC(=O)N1CCC1 ZINC001391716775 991127793 /nfs/dbraw/zinc/12/77/93/991127793.db2.gz CMHKRCYRCBRCDK-UKRRQHHQSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1ccnn1C ZINC001391742206 991150589 /nfs/dbraw/zinc/15/05/89/991150589.db2.gz ODMNLUYFDPUKHR-CYBMUJFWSA-N 1 3 318.425 0.721 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001391815415 991198646 /nfs/dbraw/zinc/19/86/46/991198646.db2.gz QRAZHMWCRJRUNJ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001391861183 991230969 /nfs/dbraw/zinc/23/09/69/991230969.db2.gz LBFCXZYMEGWCGN-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001391922920 991294215 /nfs/dbraw/zinc/29/42/15/991294215.db2.gz PYHXPRVQYJZPKM-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@@H]([NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001391922914 991294624 /nfs/dbraw/zinc/29/46/24/991294624.db2.gz PYHXPRVQYJZPKM-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nc([C@H](C)NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C)n[nH]1 ZINC001392125491 991522308 /nfs/dbraw/zinc/52/23/08/991522308.db2.gz UPGLCAMQRUSCGY-NEPJUHHUSA-N 1 3 310.446 0.952 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC001553195561 1015638345 /nfs/dbraw/zinc/63/83/45/1015638345.db2.gz BRAMKKIJGKCTLF-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC001553195561 1015638348 /nfs/dbraw/zinc/63/83/48/1015638348.db2.gz BRAMKKIJGKCTLF-RRFJBIMHSA-N 1 3 310.442 0.585 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001392311313 991735628 /nfs/dbraw/zinc/73/56/28/991735628.db2.gz JSCXCQHZGDCYKB-OAHLLOKOSA-N 1 3 315.458 0.116 20 0 DCADHO C[C@@H](CN(C)CCc1ccnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392718100 992313344 /nfs/dbraw/zinc/31/33/44/992313344.db2.gz KBLJEGCPNAWJDV-AWEZNQCLSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392821888 992427447 /nfs/dbraw/zinc/42/74/47/992427447.db2.gz AMRGQZPFAZHXHM-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392821888 992427456 /nfs/dbraw/zinc/42/74/56/992427456.db2.gz AMRGQZPFAZHXHM-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](CC(N)=O)CC2CC2)CC1)N(C)C ZINC001392976850 992596425 /nfs/dbraw/zinc/59/64/25/992596425.db2.gz YUSUYUVUVMXBIO-HNNXBMFYSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](CC(N)=O)CC2CC2)CC1)N(C)C ZINC001392976850 992596433 /nfs/dbraw/zinc/59/64/33/992596433.db2.gz YUSUYUVUVMXBIO-HNNXBMFYSA-N 1 3 324.469 0.515 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001393031393 992637475 /nfs/dbraw/zinc/63/74/75/992637475.db2.gz CYQZSTZELKGIFF-STQMWFEESA-N 1 3 321.425 0.446 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001393149330 992717355 /nfs/dbraw/zinc/71/73/55/992717355.db2.gz QCAPJVWXQPZTDC-MRXNPFEDSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@]1(C[NH2+]C[C@@H]2CCOC2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393168376 992725542 /nfs/dbraw/zinc/72/55/42/992725542.db2.gz WQUZNAPCSQFZBQ-BBRMVZONSA-N 1 3 306.410 0.817 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001393330682 992887196 /nfs/dbraw/zinc/88/71/96/992887196.db2.gz SGTZEGDZACUZKX-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393330682 992887201 /nfs/dbraw/zinc/88/72/01/992887201.db2.gz SGTZEGDZACUZKX-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001393497358 993033959 /nfs/dbraw/zinc/03/39/59/993033959.db2.gz HTTYSUQFZKQQFE-ZQDZILKHSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCn1cncn1 ZINC001393781184 993248680 /nfs/dbraw/zinc/24/86/80/993248680.db2.gz FMPZLIPEFPNHKI-GJZGRUSLSA-N 1 3 322.457 0.589 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001393905540 993334343 /nfs/dbraw/zinc/33/43/43/993334343.db2.gz LLWGYTMTPHXHMB-UHFFFAOYSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@@H](NCC(=O)NCC1CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001393983516 993391566 /nfs/dbraw/zinc/39/15/66/993391566.db2.gz ZQUUODYYNARVCI-OLZOCXBDSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](NCc1cncn1C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393986724 993393475 /nfs/dbraw/zinc/39/34/75/993393475.db2.gz FOXKMYUGEJRDKH-STQMWFEESA-N 1 3 305.426 0.499 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001394022848 993414621 /nfs/dbraw/zinc/41/46/21/993414621.db2.gz VVFOXSINZNITMN-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001394022848 993414625 /nfs/dbraw/zinc/41/46/25/993414625.db2.gz VVFOXSINZNITMN-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO C[NH+](C)CCC(=O)N[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001394327458 993623657 /nfs/dbraw/zinc/62/36/57/993623657.db2.gz JVXFQSCVUQNVDA-OAHLLOKOSA-N 1 3 307.398 0.011 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001394382520 993668257 /nfs/dbraw/zinc/66/82/57/993668257.db2.gz VKGDTBDCQCSPPM-HDJSIYSDSA-N 1 3 312.458 0.336 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001394443309 993710764 /nfs/dbraw/zinc/71/07/64/993710764.db2.gz UMRASUJUFWCDKV-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001394450331 993719051 /nfs/dbraw/zinc/71/90/51/993719051.db2.gz HGAFHUIULNQPKA-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394450331 993719061 /nfs/dbraw/zinc/71/90/61/993719061.db2.gz HGAFHUIULNQPKA-GJZGRUSLSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCN1C ZINC001394461859 993729981 /nfs/dbraw/zinc/72/99/81/993729981.db2.gz HJIDGAIAWXNDJM-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)NC1CC1 ZINC001394487977 993763536 /nfs/dbraw/zinc/76/35/36/993763536.db2.gz CSYUHQOOPZSLFV-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)NC1CC1 ZINC001394487977 993763545 /nfs/dbraw/zinc/76/35/45/993763545.db2.gz CSYUHQOOPZSLFV-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001394566713 993836903 /nfs/dbraw/zinc/83/69/03/993836903.db2.gz MPSPKJZHEWTSDY-STQMWFEESA-N 1 3 300.447 0.240 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CCC[NH+](C)C ZINC001394665144 993993125 /nfs/dbraw/zinc/99/31/25/993993125.db2.gz DHMQUICWYBZCIZ-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001394671909 994002873 /nfs/dbraw/zinc/00/28/73/994002873.db2.gz DUPCSZPEMHAIPW-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](N[C@@H](C)C(=O)NC)C(C)(C)C1 ZINC001394711612 994044462 /nfs/dbraw/zinc/04/44/62/994044462.db2.gz GJRIRGAAKZLLIG-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](N[C@@H](C)C(=O)NC)C(C)(C)C1 ZINC001394711612 994044469 /nfs/dbraw/zinc/04/44/69/994044469.db2.gz GJRIRGAAKZLLIG-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001394714429 994048219 /nfs/dbraw/zinc/04/82/19/994048219.db2.gz MLHOMOMOJKUDFM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](N[C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001394714429 994048223 /nfs/dbraw/zinc/04/82/23/994048223.db2.gz MLHOMOMOJKUDFM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001400060507 994116754 /nfs/dbraw/zinc/11/67/54/994116754.db2.gz ZXASLAAGWHBARB-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001400060507 994116761 /nfs/dbraw/zinc/11/67/61/994116761.db2.gz ZXASLAAGWHBARB-CABCVRRESA-N 1 3 324.469 0.528 20 0 DCADHO CN(C)C1(C(=O)NC2CC(CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001394910347 994261158 /nfs/dbraw/zinc/26/11/58/994261158.db2.gz XALSUZLHWFZSCO-UHFFFAOYSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001400237068 994321518 /nfs/dbraw/zinc/32/15/18/994321518.db2.gz LGQGVCKDSURLFB-UONOGXRCSA-N 1 3 322.453 0.269 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001395172015 994486832 /nfs/dbraw/zinc/48/68/32/994486832.db2.gz PHPQTDNNMFDKCI-DZGCQCFKSA-N 1 3 314.474 0.487 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001395630245 994817411 /nfs/dbraw/zinc/81/74/11/994817411.db2.gz WGYLKTWYIIKHEQ-DZGCQCFKSA-N 1 3 314.474 0.487 20 0 DCADHO C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)NCC(=O)N(C)C ZINC001507091664 1015977328 /nfs/dbraw/zinc/97/73/28/1015977328.db2.gz XRXNSNLIGNMGIJ-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1Cc1ccn(C)c(=O)c1 ZINC001397250742 995886308 /nfs/dbraw/zinc/88/63/08/995886308.db2.gz HMSBGCJASOUKJZ-HIFRSBDPSA-N 1 3 320.437 0.416 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001397720814 996143367 /nfs/dbraw/zinc/14/33/67/996143367.db2.gz DDDHRLOOJLYBQU-BFHYXJOUSA-N 1 3 324.425 0.142 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN([C@@H]2CCNC2=O)CC(C)(C)C1 ZINC001397806787 996186039 /nfs/dbraw/zinc/18/60/39/996186039.db2.gz IMMWHWVDLDNULF-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001398515056 996548143 /nfs/dbraw/zinc/54/81/43/996548143.db2.gz RELQUKDWZCEVCD-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001398559572 996572994 /nfs/dbraw/zinc/57/29/94/996572994.db2.gz DZCLCFNPTGZTKG-UBHSHLNASA-N 1 3 310.442 0.232 20 0 DCADHO CN(C)C1(C(=O)NC2CN(C(=O)CCC[NH+](C)C)C2)CCC1 ZINC001398623038 996609525 /nfs/dbraw/zinc/60/95/25/996609525.db2.gz KDKRCSOSOFVAJS-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)CC(C)(C)C ZINC001398632294 996614454 /nfs/dbraw/zinc/61/44/54/996614454.db2.gz ZEHAKNVTVVYVSW-XQQFMLRXSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001399114295 996983145 /nfs/dbraw/zinc/98/31/45/996983145.db2.gz MNQHJGDXKCZPOQ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H]([NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1)C(N)=O ZINC001404364503 997039154 /nfs/dbraw/zinc/03/91/54/997039154.db2.gz BAACZLGAGKUNKQ-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001399219074 997092898 /nfs/dbraw/zinc/09/28/98/997092898.db2.gz JNVXFYWGSBLHJY-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)CCn2cncn2)C1 ZINC001404590543 997269991 /nfs/dbraw/zinc/26/99/91/997269991.db2.gz APWXJNZMDKZTLM-HNNXBMFYSA-N 1 3 322.457 0.400 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001404590543 997270004 /nfs/dbraw/zinc/27/00/04/997270004.db2.gz APWXJNZMDKZTLM-HNNXBMFYSA-N 1 3 322.457 0.400 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001405178388 997891362 /nfs/dbraw/zinc/89/13/62/997891362.db2.gz STOITWWLRORACW-KGLIPLIRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)NCC(=O)NC ZINC001405260713 998023641 /nfs/dbraw/zinc/02/36/41/998023641.db2.gz IYANEHQKNNNYSO-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)NCC(=O)NC ZINC001405260713 998023655 /nfs/dbraw/zinc/02/36/55/998023655.db2.gz IYANEHQKNNNYSO-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)NCC(=O)NC ZINC001405260746 998027264 /nfs/dbraw/zinc/02/72/64/998027264.db2.gz IYANEHQKNNNYSO-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)NCC(=O)NC ZINC001405260746 998027275 /nfs/dbraw/zinc/02/72/75/998027275.db2.gz IYANEHQKNNNYSO-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cnn(C)c1 ZINC001405332031 998117842 /nfs/dbraw/zinc/11/78/42/998117842.db2.gz HBSMKLRLSXAAIR-CQSZACIVSA-N 1 3 305.426 0.500 20 0 DCADHO CC[C@H](C(=O)NC1(CO)CC[NH+](CCCOC)CC1)N(C)C ZINC001505382608 1016198259 /nfs/dbraw/zinc/19/82/59/1016198259.db2.gz PQLLHVGXILWJIR-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001405593675 998367049 /nfs/dbraw/zinc/36/70/49/998367049.db2.gz BDIYVSGVIZGBTH-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001405599931 998375855 /nfs/dbraw/zinc/37/58/55/998375855.db2.gz XKISTZHSUSYGOW-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)CNCc1cnns1)[NH+](C)C ZINC001405703335 998486361 /nfs/dbraw/zinc/48/63/61/998486361.db2.gz WDCCFFKVQSHDHH-DGCLKSJQSA-N 1 3 313.471 0.966 20 0 DCADHO COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001405745953 998528324 /nfs/dbraw/zinc/52/83/24/998528324.db2.gz VIFZCMMRAWHJJK-CHWSQXEVSA-N 1 3 321.425 0.279 20 0 DCADHO COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001405745953 998528337 /nfs/dbraw/zinc/52/83/37/998528337.db2.gz VIFZCMMRAWHJJK-CHWSQXEVSA-N 1 3 321.425 0.279 20 0 DCADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001507331022 1016257927 /nfs/dbraw/zinc/25/79/27/1016257927.db2.gz ISHQZMNWYCPVPP-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C[NH2+]CCO)[C@H](C(F)(F)F)C1 ZINC001507456181 1016338372 /nfs/dbraw/zinc/33/83/72/1016338372.db2.gz GYAACGDBOMYOJG-MWLCHTKSSA-N 1 3 320.315 0.171 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001401178170 1000252177 /nfs/dbraw/zinc/25/21/77/1000252177.db2.gz AMNVMYKOWYVIJQ-ZDUSSCGKSA-N 1 3 324.469 0.624 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2nncn2C)[C@H](C)C1 ZINC001401300814 1000338859 /nfs/dbraw/zinc/33/88/59/1000338859.db2.gz SJSPGSGLGCKMND-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2nncn2C)[C@H](C)C1 ZINC001401300814 1000338864 /nfs/dbraw/zinc/33/88/64/1000338864.db2.gz SJSPGSGLGCKMND-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001401392569 1000404597 /nfs/dbraw/zinc/40/45/97/1000404597.db2.gz WETMMDKDYXGOJQ-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001401392569 1000404599 /nfs/dbraw/zinc/40/45/99/1000404599.db2.gz WETMMDKDYXGOJQ-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO CN(CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCCCO1)C1CCC1 ZINC001401546406 1000482895 /nfs/dbraw/zinc/48/28/95/1000482895.db2.gz HWQSPJOHPUGTOE-HUUCEWRRSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001418746646 1000490794 /nfs/dbraw/zinc/49/07/94/1000490794.db2.gz ULADRFPUANMVOQ-NFAWXSAZSA-N 1 3 324.469 0.419 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(CC)C1=O)C(=O)[C@H]1CCCN1C ZINC001401596988 1000531679 /nfs/dbraw/zinc/53/16/79/1000531679.db2.gz FVQADKCSNGSMJJ-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC(C)(C)C ZINC001418810992 1000539577 /nfs/dbraw/zinc/53/95/77/1000539577.db2.gz ICWMYQBYYNGMOB-CHWSQXEVSA-N 1 3 312.458 0.432 20 0 DCADHO CCN(CCN[C@H]1CCN(C(C)C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401604003 1000540514 /nfs/dbraw/zinc/54/05/14/1000540514.db2.gz ACVCPGGZPICAGK-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@H]1CCN(C(C)C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401604003 1000540516 /nfs/dbraw/zinc/54/05/16/1000540516.db2.gz ACVCPGGZPICAGK-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001401607569 1000543184 /nfs/dbraw/zinc/54/31/84/1000543184.db2.gz JPOVRRTWINEZTP-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C ZINC001401628404 1000568287 /nfs/dbraw/zinc/56/82/87/1000568287.db2.gz POYMFVCZMCNIRF-AGIUHOORSA-N 1 3 300.447 0.144 20 0 DCADHO CCN(C)C(=O)CN1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001418906632 1000605724 /nfs/dbraw/zinc/60/57/24/1000605724.db2.gz VQTQXMNBZFGZGF-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO COC[C@H](O)CN1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001419127877 1000799553 /nfs/dbraw/zinc/79/95/53/1000799553.db2.gz VDRWIRQYANCNAB-RBSFLKMASA-N 1 3 315.458 0.113 20 0 DCADHO Cc1nn(C)cc1CNC[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001401879845 1000812189 /nfs/dbraw/zinc/81/21/89/1000812189.db2.gz VNXREUDGIXKRPI-OAHLLOKOSA-N 1 3 307.442 0.665 20 0 DCADHO CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001505682532 1016441791 /nfs/dbraw/zinc/44/17/91/1016441791.db2.gz TWFVQVUBZPKHNT-OLZOCXBDSA-N 1 3 312.458 0.336 20 0 DCADHO CN(CC(=O)NC[C@H]([NH2+]Cc1cncn1C)C1CC1)C1CCC1 ZINC001419274878 1000940155 /nfs/dbraw/zinc/94/01/55/1000940155.db2.gz ZOUFGLRNOKEOKT-INIZCTEOSA-N 1 3 319.453 0.889 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001402112177 1001024228 /nfs/dbraw/zinc/02/42/28/1001024228.db2.gz CBIGUDLMJONXGC-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001402112177 1001024232 /nfs/dbraw/zinc/02/42/32/1001024232.db2.gz CBIGUDLMJONXGC-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO Cn1cc(CCN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cn1 ZINC001402139337 1001052332 /nfs/dbraw/zinc/05/23/32/1001052332.db2.gz KUFMLHDKBAAEFT-MRXNPFEDSA-N 1 3 307.442 0.495 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]CC(=O)N(C)C ZINC001419517193 1001108751 /nfs/dbraw/zinc/10/87/51/1001108751.db2.gz VQOMMYYPBVTXOM-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CNCc1cc2n(n1)CCC2)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419545607 1001128707 /nfs/dbraw/zinc/12/87/07/1001128707.db2.gz QNPXKOWQNQFXND-KBPBESRZSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@@H](CNCc1cc2n(n1)CCC2)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419545607 1001128713 /nfs/dbraw/zinc/12/87/13/1001128713.db2.gz QNPXKOWQNQFXND-KBPBESRZSA-N 1 3 319.453 0.623 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1)C(N)=O ZINC001419621664 1001175660 /nfs/dbraw/zinc/17/56/60/1001175660.db2.gz AOZXWWZCWPZDMX-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN2CCCC2)C1=O ZINC001419746808 1001274854 /nfs/dbraw/zinc/27/48/54/1001274854.db2.gz NILJZNFWVPPSLM-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001402409764 1001285743 /nfs/dbraw/zinc/28/57/43/1001285743.db2.gz LBXDRCXMWDFZND-GOEBONIOSA-N 1 3 321.469 0.946 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC1CCCC1 ZINC001419776082 1001299242 /nfs/dbraw/zinc/29/92/42/1001299242.db2.gz NJOHGVVWZNAMBN-CYBMUJFWSA-N 1 3 324.469 0.624 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001402438992 1001308891 /nfs/dbraw/zinc/30/88/91/1001308891.db2.gz WZUICRFAOZTNGX-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001419796267 1001315762 /nfs/dbraw/zinc/31/57/62/1001315762.db2.gz HMTAJBUFHDWXKU-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001402497850 1001360614 /nfs/dbraw/zinc/36/06/14/1001360614.db2.gz ORDWDLPNJFQVPH-IHRRRGAJSA-N 1 3 324.469 0.622 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001402503678 1001366767 /nfs/dbraw/zinc/36/67/67/1001366767.db2.gz AHPZMCHUFSSPAD-IIAWOOMASA-N 1 3 324.469 0.432 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001419930288 1001414987 /nfs/dbraw/zinc/41/49/87/1001414987.db2.gz CHMNOTASONSJNU-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001505727954 1016496740 /nfs/dbraw/zinc/49/67/40/1016496740.db2.gz JNOKXASCLPDEMY-VXGBXAGGSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001403007840 1001630395 /nfs/dbraw/zinc/63/03/95/1001630395.db2.gz NWTANWFIECIVHJ-QWHCGFSZSA-N 1 3 324.469 0.622 20 0 DCADHO Cc1nc(CN[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001403071867 1001659857 /nfs/dbraw/zinc/65/98/57/1001659857.db2.gz UXGPZMOFFCAGPB-LLVKDONJSA-N 1 3 308.430 0.439 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001403079282 1001664120 /nfs/dbraw/zinc/66/41/20/1001664120.db2.gz JEGBFRWFBHOCJK-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCCC1 ZINC001403079282 1001664122 /nfs/dbraw/zinc/66/41/22/1001664122.db2.gz JEGBFRWFBHOCJK-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001403212109 1001736243 /nfs/dbraw/zinc/73/62/43/1001736243.db2.gz LYLSGMCRYHGFNV-AWEZNQCLSA-N 1 3 305.426 0.452 20 0 DCADHO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419996644 1001753101 /nfs/dbraw/zinc/75/31/01/1001753101.db2.gz QLFGUXHWVQALDZ-OLZOCXBDSA-N 1 3 321.425 0.305 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001403251461 1001763189 /nfs/dbraw/zinc/76/31/89/1001763189.db2.gz WCFSRAPKKRZHNU-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001403307010 1001797572 /nfs/dbraw/zinc/79/75/72/1001797572.db2.gz GOSCIBRPQJPKAJ-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001403307010 1001797577 /nfs/dbraw/zinc/79/75/77/1001797577.db2.gz GOSCIBRPQJPKAJ-GJZGRUSLSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001420089831 1001834215 /nfs/dbraw/zinc/83/42/15/1001834215.db2.gz CQZIKVBGVYCQOD-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1nccn1C ZINC001420140037 1001932495 /nfs/dbraw/zinc/93/24/95/1001932495.db2.gz OZDROJDSYCSGEZ-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1nccn1C ZINC001420140037 1001932505 /nfs/dbraw/zinc/93/25/05/1001932505.db2.gz OZDROJDSYCSGEZ-ZIAGYGMSSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H](CCNC(=O)CC[NH+](C)C)NCc1cc2n(n1)CCC2 ZINC001403431257 1001957298 /nfs/dbraw/zinc/95/72/98/1001957298.db2.gz MIXPSBXTUPGYSO-CYBMUJFWSA-N 1 3 307.442 0.765 20 0 DCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cnnn1C)N(C)C ZINC001403471649 1002000937 /nfs/dbraw/zinc/00/09/37/1002000937.db2.gz YSLJIEXRCDOLNG-TZMCWYRMSA-N 1 3 310.446 0.386 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001420192201 1002012523 /nfs/dbraw/zinc/01/25/23/1002012523.db2.gz BDSYWXRHOHFTEY-ZDUSSCGKSA-N 1 3 308.426 0.764 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001403512476 1002055632 /nfs/dbraw/zinc/05/56/32/1002055632.db2.gz MEWHHZYOJXHZBW-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001403513464 1002060186 /nfs/dbraw/zinc/06/01/86/1002060186.db2.gz PIBOLTIEXMHTTN-KBPBESRZSA-N 1 3 310.442 0.042 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+]CC(=O)N1CCCC1 ZINC001403638324 1002249830 /nfs/dbraw/zinc/24/98/30/1002249830.db2.gz XLUYXFHEAQRORK-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508015567 1016611442 /nfs/dbraw/zinc/61/14/42/1016611442.db2.gz AVYFEABHGCKVKT-NWDGAFQWSA-N 1 3 300.447 0.193 20 0 DCADHO CCCC[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001425176523 1002418982 /nfs/dbraw/zinc/41/89/82/1002418982.db2.gz FYKMJASRSZHJTO-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001420497181 1002503753 /nfs/dbraw/zinc/50/37/53/1002503753.db2.gz AUUFEWYLASNOHV-KBPBESRZSA-N 1 3 312.458 0.339 20 0 DCADHO CCn1cc(CCN2CCC[C@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001420497960 1002507512 /nfs/dbraw/zinc/50/75/12/1002507512.db2.gz JVZQNVHYGWOLSJ-INIZCTEOSA-N 1 3 321.469 0.978 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001420504589 1002520186 /nfs/dbraw/zinc/52/01/86/1002520186.db2.gz IEGRQPOSUZQNSU-STQMWFEESA-N 1 3 322.457 0.864 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001420504589 1002520192 /nfs/dbraw/zinc/52/01/92/1002520192.db2.gz IEGRQPOSUZQNSU-STQMWFEESA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCC(=O)NC)C(C)(C)C2)CC[N@@H+]1C ZINC001403814033 1002563580 /nfs/dbraw/zinc/56/35/80/1002563580.db2.gz QZJUNLGGRZNPCS-BFHYXJOUSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCC(=O)NC)C(C)(C)C2)CC[N@H+]1C ZINC001403814033 1002563590 /nfs/dbraw/zinc/56/35/90/1002563590.db2.gz QZJUNLGGRZNPCS-BFHYXJOUSA-N 1 3 324.469 0.289 20 0 DCADHO COC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001425336858 1002576927 /nfs/dbraw/zinc/57/69/27/1002576927.db2.gz ZLEFMUJASSMBSJ-TUVASFSCSA-N 1 3 309.454 0.800 20 0 DCADHO COC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001425336858 1002576936 /nfs/dbraw/zinc/57/69/36/1002576936.db2.gz ZLEFMUJASSMBSJ-TUVASFSCSA-N 1 3 309.454 0.800 20 0 DCADHO CO[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001425380279 1002622798 /nfs/dbraw/zinc/62/27/98/1002622798.db2.gz NKVUKDCKCDNVLJ-ZRJCITRHSA-N 1 3 306.410 0.590 20 0 DCADHO CO[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001425380279 1002622806 /nfs/dbraw/zinc/62/28/06/1002622806.db2.gz NKVUKDCKCDNVLJ-ZRJCITRHSA-N 1 3 306.410 0.590 20 0 DCADHO C[C@@H](NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C)C(N)=O ZINC001403953075 1002790762 /nfs/dbraw/zinc/79/07/62/1002790762.db2.gz CGALCVFPUSYETI-VXGBXAGGSA-N 1 3 310.442 0.077 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001404011451 1002902584 /nfs/dbraw/zinc/90/25/84/1002902584.db2.gz MALGBFZJFANXGN-RUXDESIVSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)CN(C)C(C)C)C2)C1=O ZINC001404012261 1002903198 /nfs/dbraw/zinc/90/31/98/1002903198.db2.gz AIQQVSBWURSTRI-NRXISQOPSA-N 1 3 324.469 0.526 20 0 DCADHO C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001420751008 1002913321 /nfs/dbraw/zinc/91/33/21/1002913321.db2.gz SPMJPQAIRJYCPV-LBPRGKRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](O)C[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001420976218 1003193513 /nfs/dbraw/zinc/19/35/13/1003193513.db2.gz LRPSYHYGTWBXQH-BLLLJJGKSA-N 1 3 315.433 0.818 20 0 DCADHO CC(C)C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001405929182 1003200196 /nfs/dbraw/zinc/20/01/96/1003200196.db2.gz NUPPSXSTHLSBGP-ZIAGYGMSSA-N 1 3 324.469 0.480 20 0 DCADHO C[NH+](C)CCCC(=O)N1C[C@@H](N[C@H]2CCCNC2=O)C(C)(C)C1 ZINC001425968756 1003292321 /nfs/dbraw/zinc/29/23/21/1003292321.db2.gz SZMKBABZMNWAOE-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001421121327 1003342051 /nfs/dbraw/zinc/34/20/51/1003342051.db2.gz QLANGUWYSQHMSN-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001426033609 1003362779 /nfs/dbraw/zinc/36/27/79/1003362779.db2.gz UCXLFVCRIMFUOL-GDBMZVCRSA-N 1 3 320.437 0.332 20 0 DCADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001426033609 1003362791 /nfs/dbraw/zinc/36/27/91/1003362791.db2.gz UCXLFVCRIMFUOL-GDBMZVCRSA-N 1 3 320.437 0.332 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001421134289 1003366255 /nfs/dbraw/zinc/36/62/55/1003366255.db2.gz AQIXGVLZYNGLTD-KBPBESRZSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001421138761 1003371232 /nfs/dbraw/zinc/37/12/32/1003371232.db2.gz RFPUSBAYQWZGJI-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001426148238 1003466113 /nfs/dbraw/zinc/46/61/13/1003466113.db2.gz NZBBXAUXSJNGDI-CYBMUJFWSA-N 1 3 324.469 0.291 20 0 DCADHO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C/C=C\Cl)C1 ZINC001421334991 1003554682 /nfs/dbraw/zinc/55/46/82/1003554682.db2.gz CCNQELROEWJQHU-WLFHHNNMSA-N 1 3 301.818 0.386 20 0 DCADHO C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C/C=C\Cl)C1 ZINC001421334991 1003554685 /nfs/dbraw/zinc/55/46/85/1003554685.db2.gz CCNQELROEWJQHU-WLFHHNNMSA-N 1 3 301.818 0.386 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406334919 1003615991 /nfs/dbraw/zinc/61/59/91/1003615991.db2.gz CNAAFZJVWNGQAZ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)[C@H](C)NCCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406334919 1003615996 /nfs/dbraw/zinc/61/59/96/1003615996.db2.gz CNAAFZJVWNGQAZ-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(C(=O)C[NH2+]C[C@@H](C)NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001406399289 1003681128 /nfs/dbraw/zinc/68/11/28/1003681128.db2.gz JPHGCKCIHFJRCO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406407816 1003690882 /nfs/dbraw/zinc/69/08/82/1003690882.db2.gz FFHPQRULWGMADA-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406407816 1003690887 /nfs/dbraw/zinc/69/08/87/1003690887.db2.gz FFHPQRULWGMADA-UKRRQHHQSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001406465281 1003740698 /nfs/dbraw/zinc/74/06/98/1003740698.db2.gz LVGUHNQXHLYGTQ-YNEHKIRRSA-N 1 3 322.457 0.863 20 0 DCADHO CC(C)c1nc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001406465281 1003740703 /nfs/dbraw/zinc/74/07/03/1003740703.db2.gz LVGUHNQXHLYGTQ-YNEHKIRRSA-N 1 3 322.457 0.863 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001406496404 1003765787 /nfs/dbraw/zinc/76/57/87/1003765787.db2.gz NHSGQCYNPPEBJO-WCQYABFASA-N 1 3 308.430 0.582 20 0 DCADHO Cc1nc(CNC[C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001406496404 1003765791 /nfs/dbraw/zinc/76/57/91/1003765791.db2.gz NHSGQCYNPPEBJO-WCQYABFASA-N 1 3 308.430 0.582 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001406510302 1003774426 /nfs/dbraw/zinc/77/44/26/1003774426.db2.gz AEKHNZZROJYUNG-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001406510302 1003774430 /nfs/dbraw/zinc/77/44/30/1003774430.db2.gz AEKHNZZROJYUNG-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C(=O)[C@H]1CCCN1C ZINC001426731449 1003992044 /nfs/dbraw/zinc/99/20/44/1003992044.db2.gz GSYCNAHUJNHFKT-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001406817574 1004118246 /nfs/dbraw/zinc/11/82/46/1004118246.db2.gz XMPIDNGZIMFUMX-TZMCWYRMSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001428744150 1004145146 /nfs/dbraw/zinc/14/51/46/1004145146.db2.gz TTWSQIRWBQUITR-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001428744150 1004145152 /nfs/dbraw/zinc/14/51/52/1004145152.db2.gz TTWSQIRWBQUITR-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001428864705 1004225280 /nfs/dbraw/zinc/22/52/80/1004225280.db2.gz JHKDRMYBQISLCG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001428864705 1004225285 /nfs/dbraw/zinc/22/52/85/1004225285.db2.gz JHKDRMYBQISLCG-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001428864715 1004225374 /nfs/dbraw/zinc/22/53/74/1004225374.db2.gz JHKDRMYBQISLCG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001428864715 1004225377 /nfs/dbraw/zinc/22/53/77/1004225377.db2.gz JHKDRMYBQISLCG-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1 ZINC001406928549 1004230464 /nfs/dbraw/zinc/23/04/64/1004230464.db2.gz ZCKCHLXJQVJVKR-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H](C)C(=O)N(C)C)CC1 ZINC001406928549 1004230472 /nfs/dbraw/zinc/23/04/72/1004230472.db2.gz ZCKCHLXJQVJVKR-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](NC[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001407114421 1004395568 /nfs/dbraw/zinc/39/55/68/1004395568.db2.gz XFEFJOXWSNKXEQ-KBPBESRZSA-N 1 3 322.453 0.317 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001407262007 1004504391 /nfs/dbraw/zinc/50/43/91/1004504391.db2.gz WCYOOWYJTPYTKE-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO COCCN1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001407387071 1004615720 /nfs/dbraw/zinc/61/57/20/1004615720.db2.gz ICZFWTWGEYECKM-GOEBONIOSA-N 1 3 313.442 0.060 20 0 DCADHO COCCN1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001407387071 1004615723 /nfs/dbraw/zinc/61/57/23/1004615723.db2.gz ICZFWTWGEYECKM-GOEBONIOSA-N 1 3 313.442 0.060 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CN2CC[C@H](C)C2)CC[N@@H+]1C ZINC001429494566 1004630996 /nfs/dbraw/zinc/63/09/96/1004630996.db2.gz CHNFPQONDABMGF-RRFJBIMHSA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNC(=O)CN2CC[C@H](C)C2)CC[N@H+]1C ZINC001429494566 1004631001 /nfs/dbraw/zinc/63/10/01/1004631001.db2.gz CHNFPQONDABMGF-RRFJBIMHSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CCCN1C ZINC001429681772 1004728597 /nfs/dbraw/zinc/72/85/97/1004728597.db2.gz DLUYLNGOXCZKLP-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO COc1cccc(CN[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001408106642 1005045736 /nfs/dbraw/zinc/04/57/36/1005045736.db2.gz ZZBLNSOYOWFNQJ-HIFRSBDPSA-N 1 3 320.437 0.978 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cncn1C ZINC001408200309 1005104365 /nfs/dbraw/zinc/10/43/65/1005104365.db2.gz ZZUFENLZZPMCQO-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCO ZINC001408301346 1005149537 /nfs/dbraw/zinc/14/95/37/1005149537.db2.gz BZYKVBXFZFUCOX-NVXWUHKLSA-N 1 3 305.422 0.692 20 0 DCADHO COC(=O)[C@@H]1[C@@H](CN(C)CCC[N@H+](C)CCN(C)C)C1(F)F ZINC001414157119 1005243406 /nfs/dbraw/zinc/24/34/06/1005243406.db2.gz VTIIHIFJFRWLOI-OLZOCXBDSA-N 1 3 321.412 0.856 20 0 DCADHO COC(=O)[C@@H]1[C@@H](CN(C)CCC[N@@H+](C)CCN(C)C)C1(F)F ZINC001414157119 1005243407 /nfs/dbraw/zinc/24/34/07/1005243407.db2.gz VTIIHIFJFRWLOI-OLZOCXBDSA-N 1 3 321.412 0.856 20 0 DCADHO COC(=O)[C@H]1[C@@H](CN(C)CCC[N@H+](C)CCN(C)C)C1(F)F ZINC001414157070 1005243803 /nfs/dbraw/zinc/24/38/03/1005243803.db2.gz VTIIHIFJFRWLOI-CHWSQXEVSA-N 1 3 321.412 0.856 20 0 DCADHO COC(=O)[C@H]1[C@@H](CN(C)CCC[N@@H+](C)CCN(C)C)C1(F)F ZINC001414157070 1005243806 /nfs/dbraw/zinc/24/38/06/1005243806.db2.gz VTIIHIFJFRWLOI-CHWSQXEVSA-N 1 3 321.412 0.856 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001414499702 1005346837 /nfs/dbraw/zinc/34/68/37/1005346837.db2.gz AWJIQUIQXKURRM-OLZOCXBDSA-N 1 3 306.414 0.613 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001414499702 1005346840 /nfs/dbraw/zinc/34/68/40/1005346840.db2.gz AWJIQUIQXKURRM-OLZOCXBDSA-N 1 3 306.414 0.613 20 0 DCADHO CCCN(C)CC(=O)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001414683037 1005383678 /nfs/dbraw/zinc/38/36/78/1005383678.db2.gz VHGQKIIDHJGURJ-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN(C)CC(=O)NCCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001415700289 1005595148 /nfs/dbraw/zinc/59/51/48/1005595148.db2.gz YMBCQBRWYDQGEL-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415700289 1005595149 /nfs/dbraw/zinc/59/51/49/1005595149.db2.gz YMBCQBRWYDQGEL-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001415960477 1005636419 /nfs/dbraw/zinc/63/64/19/1005636419.db2.gz PNQCYAJBRJNZBF-AWEZNQCLSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001473893536 1016986753 /nfs/dbraw/zinc/98/67/53/1016986753.db2.gz QOWLTCJSZWJNHP-IAGOWNOFSA-N 1 3 313.486 0.325 20 0 DCADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001473893536 1016986762 /nfs/dbraw/zinc/98/67/62/1016986762.db2.gz QOWLTCJSZWJNHP-IAGOWNOFSA-N 1 3 313.486 0.325 20 0 DCADHO CC(C)[C@H](C(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1)[NH+](C)C ZINC001416046616 1005655612 /nfs/dbraw/zinc/65/56/12/1005655612.db2.gz RDINWJJUHBWOOC-XJKSGUPXSA-N 1 3 324.469 0.384 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001417777659 1005888209 /nfs/dbraw/zinc/88/82/09/1005888209.db2.gz SENUZGOTAVIDES-QLFBSQMISA-N 1 3 324.469 0.480 20 0 DCADHO CCn1cc(CCN2CC[C@H](NC(=O)CC[N@H+](C)CC)C2)cn1 ZINC001417943268 1005936477 /nfs/dbraw/zinc/93/64/77/1005936477.db2.gz BUAJHOGYHODPJZ-INIZCTEOSA-N 1 3 321.469 0.978 20 0 DCADHO CCn1cc(CCN2CC[C@H](NC(=O)CC[N@@H+](C)CC)C2)cn1 ZINC001417943268 1005936478 /nfs/dbraw/zinc/93/64/78/1005936478.db2.gz BUAJHOGYHODPJZ-INIZCTEOSA-N 1 3 321.469 0.978 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001417992644 1005949674 /nfs/dbraw/zinc/94/96/74/1005949674.db2.gz GJEBRYKCPCSAAT-INIZCTEOSA-N 1 3 319.453 0.746 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418018491 1005957159 /nfs/dbraw/zinc/95/71/59/1005957159.db2.gz FMAIYTPMDHKXEZ-HIFRSBDPSA-N 1 3 324.425 0.130 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418018491 1005957163 /nfs/dbraw/zinc/95/71/63/1005957163.db2.gz FMAIYTPMDHKXEZ-HIFRSBDPSA-N 1 3 324.425 0.130 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C)cn1 ZINC001438635362 1005970603 /nfs/dbraw/zinc/97/06/03/1005970603.db2.gz KYRBJDSASFCPJN-DOMZBBRYSA-N 1 3 305.426 0.816 20 0 DCADHO C[C@H](CNCc1cncn1C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438644149 1005979935 /nfs/dbraw/zinc/97/99/35/1005979935.db2.gz QADUFVNIJUMJPU-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@@H]1C ZINC001434819244 1006009226 /nfs/dbraw/zinc/00/92/26/1006009226.db2.gz AKCPJLJLRIJHRD-IHRRRGAJSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)[C@@H]1C ZINC001434819244 1006009236 /nfs/dbraw/zinc/00/92/36/1006009236.db2.gz AKCPJLJLRIJHRD-IHRRRGAJSA-N 1 3 300.447 0.423 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]21 ZINC001418179925 1006135956 /nfs/dbraw/zinc/13/59/56/1006135956.db2.gz BVPBQYGBTSBYQQ-MRLBHPIUSA-N 1 3 315.433 0.748 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)COC)C[C@H]21 ZINC001418179925 1006135959 /nfs/dbraw/zinc/13/59/59/1006135959.db2.gz BVPBQYGBTSBYQQ-MRLBHPIUSA-N 1 3 315.433 0.748 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001418218429 1006192193 /nfs/dbraw/zinc/19/21/93/1006192193.db2.gz BDLDRLPKCCGWPU-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001418218429 1006192199 /nfs/dbraw/zinc/19/21/99/1006192199.db2.gz BDLDRLPKCCGWPU-KBPBESRZSA-N 1 3 312.458 0.480 20 0 DCADHO CC(C)N1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C2CCC2)C1=O ZINC001418237092 1006223086 /nfs/dbraw/zinc/22/30/86/1006223086.db2.gz RWPHUNQZKNUKNG-DZGCQCFKSA-N 1 3 324.469 0.574 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NC2CC2)C1 ZINC001438954194 1006266545 /nfs/dbraw/zinc/26/65/45/1006266545.db2.gz SQJZMERMUZJCFQ-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NC2CC2)C1 ZINC001438954196 1006267164 /nfs/dbraw/zinc/26/71/64/1006267164.db2.gz SQJZMERMUZJCFQ-UKRRQHHQSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C)n1 ZINC001418312944 1006352976 /nfs/dbraw/zinc/35/29/76/1006352976.db2.gz KMTAYYOZBMBMDN-AWEZNQCLSA-N 1 3 309.458 0.934 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418321564 1006366941 /nfs/dbraw/zinc/36/69/41/1006366941.db2.gz WXTDLTOMOKSEKH-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC(C)(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418321564 1006366953 /nfs/dbraw/zinc/36/69/53/1006366953.db2.gz WXTDLTOMOKSEKH-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(CC)C2=O)C1 ZINC001418334962 1006396704 /nfs/dbraw/zinc/39/67/04/1006396704.db2.gz FCJOCPHWJYEHEV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H]2CCN(CC)C2=O)C1 ZINC001418334962 1006396713 /nfs/dbraw/zinc/39/67/13/1006396713.db2.gz FCJOCPHWJYEHEV-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2ccccc2F)C1 ZINC001439045897 1006403892 /nfs/dbraw/zinc/40/38/92/1006403892.db2.gz IIBJZPCEZTUXQD-UKRRQHHQSA-N 1 3 323.412 0.734 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2ccccc2F)C1 ZINC001439045897 1006403894 /nfs/dbraw/zinc/40/38/94/1006403894.db2.gz IIBJZPCEZTUXQD-UKRRQHHQSA-N 1 3 323.412 0.734 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001418361084 1006424842 /nfs/dbraw/zinc/42/48/42/1006424842.db2.gz RDBQDTVZHSIXMG-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001436883043 1006429795 /nfs/dbraw/zinc/42/97/95/1006429795.db2.gz KQTLZDMODGJHJC-AWEZNQCLSA-N 1 3 312.458 0.384 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001439069072 1006430693 /nfs/dbraw/zinc/43/06/93/1006430693.db2.gz HJSWPZOUKYLJBL-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(CC)CCN[C@@H]2CCNC2=O)CC[N@H+]1C ZINC001439069072 1006430699 /nfs/dbraw/zinc/43/06/99/1006430699.db2.gz HJSWPZOUKYLJBL-BFHYXJOUSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439085656 1006452962 /nfs/dbraw/zinc/45/29/62/1006452962.db2.gz URMBWWSJKPVFBN-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439085656 1006452971 /nfs/dbraw/zinc/45/29/71/1006452971.db2.gz URMBWWSJKPVFBN-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001436975036 1006493510 /nfs/dbraw/zinc/49/35/10/1006493510.db2.gz HZRCJWWWJUCXDE-MBNYWOFBSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001436996809 1006515487 /nfs/dbraw/zinc/51/54/87/1006515487.db2.gz BHMANEUWVVXJRB-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001439159156 1006526093 /nfs/dbraw/zinc/52/60/93/1006526093.db2.gz OKDWSDLPLYIOON-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](CN[C@@H]1CCN(C(C)(C)C)C1=O)NC(=O)CC[NH+](C)C ZINC001439246415 1006619943 /nfs/dbraw/zinc/61/99/43/1006619943.db2.gz SGPNLQWSKBZYBE-QWHCGFSZSA-N 1 3 312.458 0.432 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001437206857 1006703913 /nfs/dbraw/zinc/70/39/13/1006703913.db2.gz NIVLWHSOHDVILS-QWHCGFSZSA-N 1 3 307.442 0.665 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001437302609 1006819929 /nfs/dbraw/zinc/81/99/29/1006819929.db2.gz WKBLCLOFPYZPTQ-GJZGRUSLSA-N 1 3 324.469 0.291 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001437321461 1006839595 /nfs/dbraw/zinc/83/95/95/1006839595.db2.gz DPCKUALKZSMIIH-AWEZNQCLSA-N 1 3 312.458 0.291 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccnn2C)C2CC2)CCC1 ZINC001439452155 1006870029 /nfs/dbraw/zinc/87/00/29/1006870029.db2.gz CPRHDONDIUMMIM-OAHLLOKOSA-N 1 3 319.453 0.889 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001439648240 1007113291 /nfs/dbraw/zinc/11/32/91/1007113291.db2.gz YLYSRNDZIAIPQT-HNNXBMFYSA-N 1 3 301.406 0.430 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001452910378 1007143999 /nfs/dbraw/zinc/14/39/99/1007143999.db2.gz VIJVJPUEYAGPNF-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH]cn1 ZINC001453240094 1007340266 /nfs/dbraw/zinc/34/02/66/1007340266.db2.gz IDZLSZCFZODUQZ-CYBMUJFWSA-N 1 3 307.398 0.011 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437853363 1007466569 /nfs/dbraw/zinc/46/65/69/1007466569.db2.gz YVAMMXTUTSNTNS-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001437853363 1007466575 /nfs/dbraw/zinc/46/65/75/1007466575.db2.gz YVAMMXTUTSNTNS-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO Cn1cc(CN2C[C@@H]3C[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C3)cn1 ZINC001440107619 1007496194 /nfs/dbraw/zinc/49/61/94/1007496194.db2.gz GXWAKNPDNXPRLV-BPUTZDHNSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1ccn(C)n1 ZINC001440138804 1007517826 /nfs/dbraw/zinc/51/78/26/1007517826.db2.gz XQCLSJWUWQDGTJ-KGLIPLIRSA-N 1 3 307.442 0.556 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001440149768 1007521729 /nfs/dbraw/zinc/52/17/29/1007521729.db2.gz JORGVBDKVPYTMB-HRCADAONSA-N 1 3 309.454 0.753 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001440149768 1007521740 /nfs/dbraw/zinc/52/17/40/1007521740.db2.gz JORGVBDKVPYTMB-HRCADAONSA-N 1 3 309.454 0.753 20 0 DCADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001440207263 1007580403 /nfs/dbraw/zinc/58/04/03/1007580403.db2.gz KOZARNCNZDFUAQ-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001440394397 1007724645 /nfs/dbraw/zinc/72/46/45/1007724645.db2.gz FDBMMTBQFCGXKR-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001440394397 1007724654 /nfs/dbraw/zinc/72/46/54/1007724654.db2.gz FDBMMTBQFCGXKR-HNNXBMFYSA-N 1 3 322.457 0.591 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001440597560 1007910829 /nfs/dbraw/zinc/91/08/29/1007910829.db2.gz ULIJUGKSCOULNI-ZBFHGGJFSA-N 1 3 321.469 0.739 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2=O)CC1 ZINC001438443885 1007912478 /nfs/dbraw/zinc/91/24/78/1007912478.db2.gz ZIXRCUSPLPLLPB-KKUMJFAQSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001438498194 1007953117 /nfs/dbraw/zinc/95/31/17/1007953117.db2.gz MDAXIAGUUNDYQM-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN2CCN(CC3CC3)CC2)CC[N@@H+]1C ZINC001441052887 1008197774 /nfs/dbraw/zinc/19/77/74/1008197774.db2.gz CJHBTCXEJBPZNA-GDBMZVCRSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@@H]1[C@H](C(=O)NCCN2CCN(CC3CC3)CC2)CC[N@H+]1C ZINC001441052887 1008197777 /nfs/dbraw/zinc/19/77/77/1008197777.db2.gz CJHBTCXEJBPZNA-GDBMZVCRSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001441160775 1008246772 /nfs/dbraw/zinc/24/67/72/1008246772.db2.gz OEJWDFMZYYTBQH-ZIAGYGMSSA-N 1 3 309.454 0.944 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001441370166 1008335444 /nfs/dbraw/zinc/33/54/44/1008335444.db2.gz PMNOKEBYKPIMOI-XDQVBPFNSA-N 1 3 312.458 0.192 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001441382810 1008341229 /nfs/dbraw/zinc/34/12/29/1008341229.db2.gz GBEPQELLCDYCRD-HDJSIYSDSA-N 1 3 324.469 0.574 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@H+](C)C[C@@H](O)COC)CC1 ZINC001441395707 1008345083 /nfs/dbraw/zinc/34/50/83/1008345083.db2.gz XFOIZAKAIGKIBS-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C[C@@H](O)COC)CC1 ZINC001441395707 1008345086 /nfs/dbraw/zinc/34/50/86/1008345086.db2.gz XFOIZAKAIGKIBS-OAHLLOKOSA-N 1 3 315.458 0.258 20 0 DCADHO CCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001441422256 1008350831 /nfs/dbraw/zinc/35/08/31/1008350831.db2.gz ZWSJZCIHZDJWBP-AJNGGQMLSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001441459305 1008363694 /nfs/dbraw/zinc/36/36/94/1008363694.db2.gz HGAWWKAPQHXMTC-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCc1cnn(C)c1 ZINC001441550947 1008400927 /nfs/dbraw/zinc/40/09/27/1008400927.db2.gz WTGAGMALTYAPJV-AWEZNQCLSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1cnn(C)c1 ZINC001441598953 1008420277 /nfs/dbraw/zinc/42/02/77/1008420277.db2.gz NOQZAJNYIAUESK-HUUCEWRRSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)NCC2CCC2)CCN1C(=O)CC[NH+](C)C ZINC001441831705 1008532445 /nfs/dbraw/zinc/53/24/45/1008532445.db2.gz WDSJTQIPYSUKQH-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001441835233 1008543152 /nfs/dbraw/zinc/54/31/52/1008543152.db2.gz ZCJHWUYNVSTYKT-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001441835233 1008543160 /nfs/dbraw/zinc/54/31/60/1008543160.db2.gz ZCJHWUYNVSTYKT-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1C[C@@H](NCC(=O)N2CCCCC2)CN1C(=O)CC[NH+](C)C ZINC001441841696 1008553999 /nfs/dbraw/zinc/55/39/99/1008553999.db2.gz REACVRPMSJMFLT-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)N1CCCC1 ZINC001421430957 1008577487 /nfs/dbraw/zinc/57/74/87/1008577487.db2.gz WLMWAZYBLINZOC-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001453625119 1008622270 /nfs/dbraw/zinc/62/22/70/1008622270.db2.gz GIQNMJRTKDVEJR-CQSZACIVSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001442071875 1008927769 /nfs/dbraw/zinc/92/77/69/1008927769.db2.gz XXKOBMNZLKPMBW-QWHCGFSZSA-N 1 3 314.474 0.724 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(C)(C)C ZINC001442098607 1008970788 /nfs/dbraw/zinc/97/07/88/1008970788.db2.gz QDSKQBMSTBSQEY-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001442105982 1008978351 /nfs/dbraw/zinc/97/83/51/1008978351.db2.gz BVPOCDSGHFDMJK-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001454280706 1009039599 /nfs/dbraw/zinc/03/95/99/1009039599.db2.gz GWZOPSHJXUJMLA-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001442166134 1009042017 /nfs/dbraw/zinc/04/20/17/1009042017.db2.gz BUHFCFIPZXRSTL-CQSZACIVSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001442166221 1009042226 /nfs/dbraw/zinc/04/22/26/1009042226.db2.gz YZHWQVBHSYIKDS-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H](CNCC(=O)N1CCC1)C(C)(C)C ZINC001442181665 1009061384 /nfs/dbraw/zinc/06/13/84/1009061384.db2.gz MQVWEBDBNYFNQC-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1CCCN1C ZINC001421875400 1009194172 /nfs/dbraw/zinc/19/41/72/1009194172.db2.gz SYOKQMAKEMBSML-STQMWFEESA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001433886014 1009307198 /nfs/dbraw/zinc/30/71/98/1009307198.db2.gz UXMMTUABFWNOMC-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H]([NH2+]CCO)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001422045845 1009431347 /nfs/dbraw/zinc/43/13/47/1009431347.db2.gz FQAVWFZDDXUYFJ-CVEARBPZSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001434088039 1009546194 /nfs/dbraw/zinc/54/61/94/1009546194.db2.gz KVCBMKGERBCTEK-LSDHHAIUSA-N 1 3 324.469 0.336 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)CCc2cnn(C)c2)C1 ZINC001422200151 1009638406 /nfs/dbraw/zinc/63/84/06/1009638406.db2.gz MNZNMRQNGUCGKX-HNNXBMFYSA-N 1 3 321.469 0.695 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CCc2cnn(C)c2)C1 ZINC001422200151 1009638408 /nfs/dbraw/zinc/63/84/08/1009638408.db2.gz MNZNMRQNGUCGKX-HNNXBMFYSA-N 1 3 321.469 0.695 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](CC[NH+](C)C)C2)CC1=O ZINC001455625381 1009867739 /nfs/dbraw/zinc/86/77/39/1009867739.db2.gz AQPOZVZGZLZJQK-LSDHHAIUSA-N 1 3 324.469 0.197 20 0 DCADHO CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC)C(N)=O ZINC001422451986 1010108032 /nfs/dbraw/zinc/10/80/32/1010108032.db2.gz QANDNTFOHJZKCS-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001422457482 1010112752 /nfs/dbraw/zinc/11/27/52/1010112752.db2.gz RMTJOHYPYZYBAR-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001443235727 1010249419 /nfs/dbraw/zinc/24/94/19/1010249419.db2.gz BFFKAVMJVSCXEO-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001443235727 1010249425 /nfs/dbraw/zinc/24/94/25/1010249425.db2.gz BFFKAVMJVSCXEO-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001422585067 1010353534 /nfs/dbraw/zinc/35/35/34/1010353534.db2.gz XLUSIWCJUGDYLW-NEPJUHHUSA-N 1 3 306.410 0.330 20 0 DCADHO Cn1cnnc1CNC[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001422937375 1010756042 /nfs/dbraw/zinc/75/60/42/1010756042.db2.gz PFJLCRTVULTMJM-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)CC ZINC001443937227 1010762398 /nfs/dbraw/zinc/76/23/98/1010762398.db2.gz MMUSWNSFSGBEMR-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)CC ZINC001443937227 1010762408 /nfs/dbraw/zinc/76/24/08/1010762408.db2.gz MMUSWNSFSGBEMR-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001443995271 1010793881 /nfs/dbraw/zinc/79/38/81/1010793881.db2.gz JROKIDKLSXLJOX-CYBMUJFWSA-N 1 3 300.447 0.241 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001423043950 1010836291 /nfs/dbraw/zinc/83/62/91/1010836291.db2.gz MXHBOPCVHAHRHZ-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001423043950 1010836294 /nfs/dbraw/zinc/83/62/94/1010836294.db2.gz MXHBOPCVHAHRHZ-HIFRSBDPSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001423108047 1010894653 /nfs/dbraw/zinc/89/46/53/1010894653.db2.gz RAWLEVVDZFXDHX-KBPBESRZSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001423171466 1010940086 /nfs/dbraw/zinc/94/00/86/1010940086.db2.gz MMVOVXQVUNPZCE-KGLIPLIRSA-N 1 3 322.457 0.542 20 0 DCADHO C[C@H](CNCc1nccn1C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001444395738 1010997499 /nfs/dbraw/zinc/99/74/99/1010997499.db2.gz UTRPJGDOAJQPRO-CYBMUJFWSA-N 1 3 307.442 0.604 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001423309815 1011066160 /nfs/dbraw/zinc/06/61/60/1011066160.db2.gz XTSIUYZVOUVBHT-CQSZACIVSA-N 1 3 322.453 0.379 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C)n[nH]1 ZINC001423318929 1011073478 /nfs/dbraw/zinc/07/34/78/1011073478.db2.gz DDNGTQKGZDCMFJ-YPMHNXCESA-N 1 3 320.441 0.534 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)[C@@H]1C ZINC001423320902 1011074565 /nfs/dbraw/zinc/07/45/65/1011074565.db2.gz BNQKHEWLSUELAJ-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001444592626 1011082310 /nfs/dbraw/zinc/08/23/10/1011082310.db2.gz XICDOEUPTMOEQZ-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC001423401025 1011124475 /nfs/dbraw/zinc/12/44/75/1011124475.db2.gz IQCVWDKFDOHQRF-QWHCGFSZSA-N 1 3 312.458 0.289 20 0 DCADHO Cc1nc([C@@H](C)NC[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001444709010 1011141254 /nfs/dbraw/zinc/14/12/54/1011141254.db2.gz MMMLOFWMQKFHLC-VXGBXAGGSA-N 1 3 320.441 0.706 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001444765949 1011165146 /nfs/dbraw/zinc/16/51/46/1011165146.db2.gz AHAHHVBWMPKISH-ZIAGYGMSSA-N 1 3 312.458 0.465 20 0 DCADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001444765949 1011165149 /nfs/dbraw/zinc/16/51/49/1011165149.db2.gz AHAHHVBWMPKISH-ZIAGYGMSSA-N 1 3 312.458 0.465 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001423477732 1011176310 /nfs/dbraw/zinc/17/63/10/1011176310.db2.gz BDIYVSGVIZGBTH-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001445053418 1011361628 /nfs/dbraw/zinc/36/16/28/1011361628.db2.gz JFFFXONNCNVRNZ-NFOMZHRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC001534230046 1011557953 /nfs/dbraw/zinc/55/79/53/1011557953.db2.gz LZWSTSKWTRTHAI-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001534230046 1011557965 /nfs/dbraw/zinc/55/79/65/1011557965.db2.gz LZWSTSKWTRTHAI-BFHYXJOUSA-N 1 3 312.458 0.289 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2cncc(F)c2)C1 ZINC001445273889 1011607167 /nfs/dbraw/zinc/60/71/67/1011607167.db2.gz JMCXTEYMZNVJBD-DOMZBBRYSA-N 1 3 324.400 0.129 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2cncc(F)c2)C1 ZINC001445273889 1011607175 /nfs/dbraw/zinc/60/71/75/1011607175.db2.gz JMCXTEYMZNVJBD-DOMZBBRYSA-N 1 3 324.400 0.129 20 0 DCADHO CN1CCC[C@H](NC(=O)N2CC[C@@](C[NH3+])(C3CCOCC3)C2)C1 ZINC001553431827 1011972537 /nfs/dbraw/zinc/97/25/37/1011972537.db2.gz BNKOBQUOJMJDQO-RDJZCZTQSA-N 1 3 324.469 0.868 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@]12CC[NH2+]C2 ZINC001553445636 1011979847 /nfs/dbraw/zinc/97/98/47/1011979847.db2.gz OOMONOICHFYCJB-SQWLQELKSA-N 1 3 308.426 0.387 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC12CCOCC2 ZINC001553451933 1011988146 /nfs/dbraw/zinc/98/81/46/1011988146.db2.gz WWMXADCXZZZPHD-TZMCWYRMSA-N 1 3 308.426 0.372 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001535900039 1011999860 /nfs/dbraw/zinc/99/98/60/1011999860.db2.gz OFLDXQOVFUJSOO-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553498742 1012035010 /nfs/dbraw/zinc/03/50/10/1012035010.db2.gz YTIHNBDEUUORFI-ZNMIVQPWSA-N 1 3 310.442 0.227 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553507689 1012046759 /nfs/dbraw/zinc/04/67/59/1012046759.db2.gz QZLMFLKZGNWQJQ-HZPDHXFCSA-N 1 3 324.469 0.617 20 0 DCADHO CCC1([NH3+])CCN(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC001553531464 1012083700 /nfs/dbraw/zinc/08/37/00/1012083700.db2.gz SITIFASJWRSOCU-GJZGRUSLSA-N 1 3 324.469 0.841 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553533359 1012087701 /nfs/dbraw/zinc/08/77/01/1012087701.db2.gz KAVWWAJXPUOIIL-IHRRRGAJSA-N 1 3 310.442 0.225 20 0 DCADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001536493369 1012145640 /nfs/dbraw/zinc/14/56/40/1012145640.db2.gz TYLGVQSSAHBJJJ-AWEZNQCLSA-N 1 3 324.469 0.338 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001432253606 1012204254 /nfs/dbraw/zinc/20/42/54/1012204254.db2.gz MQCFUIDUAKISNF-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001432253606 1012204269 /nfs/dbraw/zinc/20/42/69/1012204269.db2.gz MQCFUIDUAKISNF-OKILXGFUSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001458543574 1012210063 /nfs/dbraw/zinc/21/00/63/1012210063.db2.gz UKURNHVCBVIQSK-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)CN1CCC[C@H]1C ZINC001458543574 1012210079 /nfs/dbraw/zinc/21/00/79/1012210079.db2.gz UKURNHVCBVIQSK-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC001424499272 1012583355 /nfs/dbraw/zinc/58/33/55/1012583355.db2.gz PBUIQPDQASCIPD-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CN1C1CC1 ZINC001548555286 1012704956 /nfs/dbraw/zinc/70/49/56/1012704956.db2.gz OTNDFZYMONSCGH-NEPJUHHUSA-N 1 3 306.410 0.626 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CN1C1CC1 ZINC001548555287 1012705727 /nfs/dbraw/zinc/70/57/27/1012705727.db2.gz OTNDFZYMONSCGH-NWDGAFQWSA-N 1 3 306.410 0.626 20 0 DCADHO O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001548572390 1012740735 /nfs/dbraw/zinc/74/07/35/1012740735.db2.gz KXRXVVQJULXXQU-VNQPRFMTSA-N 1 3 321.396 0.487 20 0 DCADHO O=C([C@@H]1CNCc2ccccc21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574523 1012748214 /nfs/dbraw/zinc/74/82/14/1012748214.db2.gz FIHBEVWRTQSQFD-GOEBONIOSA-N 1 3 303.406 0.446 20 0 DCADHO CC1(C)CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2(CNC2)O1 ZINC001548575711 1012748810 /nfs/dbraw/zinc/74/88/10/1012748810.db2.gz IPBPDPBRDNITIZ-AGUYFDCRSA-N 1 3 307.438 0.887 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CC2CCCC2)C1 ZINC001446848031 1013018606 /nfs/dbraw/zinc/01/86/06/1013018606.db2.gz AZXSBEAMKRYDBI-OAHLLOKOSA-N 1 3 309.454 0.824 20 0 DCADHO Cc1ccccc1CN1CCCN(C(=O)CNCC[NH3+])CC1 ZINC001521433727 1017374524 /nfs/dbraw/zinc/37/45/24/1017374524.db2.gz MJBCGSVKQLZGFL-UHFFFAOYSA-N 1 3 304.438 0.578 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)NCC3=CC[NH2+]CC3)ccc2NC1=O ZINC001521518782 1017392924 /nfs/dbraw/zinc/39/29/24/1017392924.db2.gz IGPHLBGPDURLEN-CQSZACIVSA-N 1 3 314.389 0.548 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001506794176 1017556826 /nfs/dbraw/zinc/55/68/26/1017556826.db2.gz PBKDXGMLURPJNH-FQUUOJAGSA-N 1 3 322.453 0.029 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC001506794176 1017556830 /nfs/dbraw/zinc/55/68/30/1017556830.db2.gz PBKDXGMLURPJNH-FQUUOJAGSA-N 1 3 322.453 0.029 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001506824914 1017588174 /nfs/dbraw/zinc/58/81/74/1017588174.db2.gz GOFGQNKEGZWWOL-TUVASFSCSA-N 1 3 324.469 0.099 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]21 ZINC001506824914 1017588182 /nfs/dbraw/zinc/58/81/82/1017588182.db2.gz GOFGQNKEGZWWOL-TUVASFSCSA-N 1 3 324.469 0.099 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479829212 1017840608 /nfs/dbraw/zinc/84/06/08/1017840608.db2.gz KXISQFLDZLPMBW-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](CC)[C@H]1CCNC1=O ZINC001479861271 1017905324 /nfs/dbraw/zinc/90/53/24/1017905324.db2.gz LXJXYQSKDMSKSS-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@H]1CCNC1=O ZINC001479861271 1017905331 /nfs/dbraw/zinc/90/53/31/1017905331.db2.gz LXJXYQSKDMSKSS-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001479866467 1017917632 /nfs/dbraw/zinc/91/76/32/1017917632.db2.gz NXUZNMMIXMLLGA-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C1CC1)[C@@H]1CCCNC1=O ZINC001479866467 1017917642 /nfs/dbraw/zinc/91/76/42/1017917642.db2.gz NXUZNMMIXMLLGA-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C1CC1)[C@H]1CCCNC1=O ZINC001479866466 1017918637 /nfs/dbraw/zinc/91/86/37/1017918637.db2.gz NXUZNMMIXMLLGA-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C1CC1)[C@H]1CCCNC1=O ZINC001479866466 1017918646 /nfs/dbraw/zinc/91/86/46/1017918646.db2.gz NXUZNMMIXMLLGA-GJZGRUSLSA-N 1 3 322.453 0.330 20 0 DCADHO CN(C)C1(C(=O)NCCN2CC[NH+](CC3CC3)CC2)CCC1 ZINC001479932402 1017996234 /nfs/dbraw/zinc/99/62/34/1017996234.db2.gz ZLCILNZSZDPWKY-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)CC[NH+]1CCCCC1 ZINC001497501501 1018172037 /nfs/dbraw/zinc/17/20/37/1018172037.db2.gz WPUUCDDKDSWAOO-UHFFFAOYSA-N 1 3 322.457 0.927 20 0 DCADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)CC ZINC001495094701 1018305387 /nfs/dbraw/zinc/30/53/87/1018305387.db2.gz QPIXSUAHXZXASX-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001497817314 1018443440 /nfs/dbraw/zinc/44/34/40/1018443440.db2.gz PCPFNJUKTDSSDU-CHWSQXEVSA-N 1 3 310.442 0.234 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001480394650 1018496374 /nfs/dbraw/zinc/49/63/74/1018496374.db2.gz WJZQYMRPFPNCLB-SEBNEYGDSA-N 1 3 322.453 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21)N(C)C ZINC001480394822 1018496603 /nfs/dbraw/zinc/49/66/03/1018496603.db2.gz NEYZUDCNXKUMJE-OWYFMNJBSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21)N(C)C ZINC001480394822 1018496610 /nfs/dbraw/zinc/49/66/10/1018496610.db2.gz NEYZUDCNXKUMJE-OWYFMNJBSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H]1CCN(C2CCC2)C1=O ZINC001480528429 1018632505 /nfs/dbraw/zinc/63/25/05/1018632505.db2.gz VZYYCYJVUAPVGN-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCCC1 ZINC001480531389 1018632658 /nfs/dbraw/zinc/63/26/58/1018632658.db2.gz YXENBDWKGHIAGN-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)N[C@@H]1CCNC1=O ZINC001480602053 1018697173 /nfs/dbraw/zinc/69/71/73/1018697173.db2.gz JCVDJVZQHVVSKH-UONOGXRCSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)C(=O)CN2CCCC2)C1 ZINC001501162024 1018930680 /nfs/dbraw/zinc/93/06/80/1018930680.db2.gz YBTRUXXBJSKDDG-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)C(=O)CN2CCCC2)C1 ZINC001501162024 1018930698 /nfs/dbraw/zinc/93/06/98/1018930698.db2.gz YBTRUXXBJSKDDG-OAHLLOKOSA-N 1 3 324.469 0.341 20 0 DCADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001501230296 1018976033 /nfs/dbraw/zinc/97/60/33/1018976033.db2.gz ZMAZTFUKSLPNKF-IYBDPMFKSA-N 1 3 302.422 0.924 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2C1 ZINC001501240904 1018981962 /nfs/dbraw/zinc/98/19/62/1018981962.db2.gz ZVVRTFQNEOLJGB-HRCADAONSA-N 1 3 311.470 0.879 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@@H]2C1 ZINC001501240904 1018981969 /nfs/dbraw/zinc/98/19/69/1018981969.db2.gz ZVVRTFQNEOLJGB-HRCADAONSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)C1CC1 ZINC001498526758 1019194736 /nfs/dbraw/zinc/19/47/36/1019194736.db2.gz YVGUFCNALHCRQQ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(N(CCO)CCNC/C=C/Cl)C12CCC[NH+]1CCC2 ZINC001501469127 1019208720 /nfs/dbraw/zinc/20/87/20/1019208720.db2.gz HCUMIRYZWUSKHT-ZZXKWVIFSA-N 1 3 315.845 0.778 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCn2cncn2)C1 ZINC001501547872 1019286315 /nfs/dbraw/zinc/28/63/15/1019286315.db2.gz MBZKRNOCEFOFJC-CABCVRRESA-N 1 3 320.441 0.201 20 0 DCADHO CCCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501648270 1019354433 /nfs/dbraw/zinc/35/44/33/1019354433.db2.gz WUOPLTNPHOPIEW-OAHLLOKOSA-N 1 3 324.469 0.437 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC(=O)N2CCC2)C2CC2)CCC1 ZINC001498770579 1019413140 /nfs/dbraw/zinc/41/31/40/1019413140.db2.gz PJMMFYQSAUHSGE-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1CC1 ZINC001498877318 1019495866 /nfs/dbraw/zinc/49/58/66/1019495866.db2.gz UNOKBUBBGRUKTJ-JSGCOSHPSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001501879249 1019535097 /nfs/dbraw/zinc/53/50/97/1019535097.db2.gz GANUETSYGKZHLB-MGPQQGTHSA-N 1 3 312.458 0.432 20 0 DCADHO CN(CC[NH2+]C[C@H]1C[C@]12CCOC2)C(=O)CN(C)C1CCC1 ZINC001493580454 1019536620 /nfs/dbraw/zinc/53/66/20/1019536620.db2.gz RYPFFJZNZNFLPR-PBHICJAKSA-N 1 3 309.454 0.945 20 0 DCADHO CCNC(=O)CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001501994499 1019612653 /nfs/dbraw/zinc/61/26/53/1019612653.db2.gz FAFPRRTWFDNPCK-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)CC1 ZINC001493747360 1019677592 /nfs/dbraw/zinc/67/75/92/1019677592.db2.gz CWMCTYUBMNTJFV-OAHLLOKOSA-N 1 3 324.469 0.386 20 0 DCADHO CCC(C)(C)NC(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001493764841 1019693904 /nfs/dbraw/zinc/69/39/04/1019693904.db2.gz XXVKKMCJZVDRAT-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)C(=O)CN1CCCC1 ZINC001493793566 1019712297 /nfs/dbraw/zinc/71/22/97/1019712297.db2.gz JLJUTJPMPQADDP-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)[C@]1(CNC(=O)c2csc(CC[NH3+])n2)CCSC1 ZINC000279894038 215213069 /nfs/dbraw/zinc/21/30/69/215213069.db2.gz IEVZACDQHRUTFW-ZDUSSCGKSA-N 1 3 314.480 0.811 20 0 DCADHO COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075836183 291087510 /nfs/dbraw/zinc/08/75/10/291087510.db2.gz BCWAQLPWRUVQKY-CQSZACIVSA-N 1 3 311.426 0.474 20 0 DCADHO COC(=O)CNC(=O)CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075836183 291087511 /nfs/dbraw/zinc/08/75/11/291087511.db2.gz BCWAQLPWRUVQKY-CQSZACIVSA-N 1 3 311.426 0.474 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353802177 296018425 /nfs/dbraw/zinc/01/84/25/296018425.db2.gz BNCAEJSVUYFMRC-DZKIICNBSA-N 1 3 307.438 0.698 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001646200120 1172284971 /nfs/dbraw/zinc/28/49/71/1172284971.db2.gz UMLXJUPLDCNJMZ-HUUCEWRRSA-N 1 3 311.474 0.535 20 0 DCADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1=CCN(C)CC1 ZINC000286538894 296034378 /nfs/dbraw/zinc/03/43/78/296034378.db2.gz QNLZVFDENJMZED-QWHCGFSZSA-N 1 3 310.442 0.209 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000566000329 291263352 /nfs/dbraw/zinc/26/33/52/291263352.db2.gz IBVVFWGURUPDTG-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO c1cc(N2CC[NH2+]CC2)cnc1N[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000566087883 291268250 /nfs/dbraw/zinc/26/82/50/291268250.db2.gz AIAHJCDQLDNDFA-WBVHZDCISA-N 1 3 317.437 0.670 20 0 DCADHO CN(C[C@H](O)CN1CCC(CO)([NH2+]CC2CC2)CC1)C1CC1 ZINC000566306624 291292666 /nfs/dbraw/zinc/29/26/66/291292666.db2.gz UQSOIGIYBCYVEP-INIZCTEOSA-N 1 3 311.470 0.268 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@](C)(F)C2)CC1 ZINC000420329287 240022776 /nfs/dbraw/zinc/02/27/76/240022776.db2.gz JCOYKRGUKXJTPO-HNNXBMFYSA-N 1 3 300.422 0.220 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000423568171 240210023 /nfs/dbraw/zinc/21/00/23/240210023.db2.gz DQZUNRJGWATVLT-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000423597122 240223358 /nfs/dbraw/zinc/22/33/58/240223358.db2.gz SVMNXKAVHBGPEV-ILXRZTDVSA-N 1 3 324.469 0.371 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCC1 ZINC000423616554 240225245 /nfs/dbraw/zinc/22/52/45/240225245.db2.gz FWCIAQDUIWVFOU-CYBMUJFWSA-N 1 3 310.442 0.269 20 0 DCADHO N[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)C1 ZINC000567179888 291341963 /nfs/dbraw/zinc/34/19/63/291341963.db2.gz XQARNZRFMPOZJP-HZPDHXFCSA-N 1 3 318.469 0.848 20 0 DCADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN1CCCO ZINC000457781995 241037162 /nfs/dbraw/zinc/03/71/62/241037162.db2.gz DIWWOMRRQMGDDW-HOCLYGCPSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN1CCCO ZINC000457781995 241037166 /nfs/dbraw/zinc/03/71/66/241037166.db2.gz DIWWOMRRQMGDDW-HOCLYGCPSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CCCN1CCCO ZINC000457542023 241013915 /nfs/dbraw/zinc/01/39/15/241013915.db2.gz RHWSVIWCKONSBV-HNNXBMFYSA-N 1 3 312.458 0.618 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000568292690 291421616 /nfs/dbraw/zinc/42/16/16/291421616.db2.gz TXRGUGDDIMTGHO-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000569380594 291477380 /nfs/dbraw/zinc/47/73/80/291477380.db2.gz JPOPHBAKWMWESG-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CSCC[C@H]([NH3+])CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001646740724 1172503703 /nfs/dbraw/zinc/50/37/03/1172503703.db2.gz QFTJKNQFJGLHGX-RWMBFGLXSA-N 1 3 301.456 0.436 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000339636527 253119759 /nfs/dbraw/zinc/11/97/59/253119759.db2.gz FUIUIYGWLGKVRB-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO CC1CC[NH+](CCCNC(=O)C(=O)NC2CCN(C)CC2)CC1 ZINC000339640231 253120244 /nfs/dbraw/zinc/12/02/44/253120244.db2.gz XUOIOFZPVFLZBK-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339647827 253121053 /nfs/dbraw/zinc/12/10/53/253121053.db2.gz YQOMXUFMLXLPLQ-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO COCCOCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262305376 285094515 /nfs/dbraw/zinc/09/45/15/285094515.db2.gz PBTAHXHMSUGXCT-CABCVRRESA-N 1 3 313.442 0.230 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340207060 253217340 /nfs/dbraw/zinc/21/73/40/253217340.db2.gz ALHVIWZHODRQNZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340207060 253217342 /nfs/dbraw/zinc/21/73/42/253217342.db2.gz ALHVIWZHODRQNZ-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C1CC1 ZINC000340258581 253225872 /nfs/dbraw/zinc/22/58/72/253225872.db2.gz IAXPHMQRUZVKAD-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C1CC1 ZINC000340258581 253225874 /nfs/dbraw/zinc/22/58/74/253225874.db2.gz IAXPHMQRUZVKAD-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000341286712 253364450 /nfs/dbraw/zinc/36/44/50/253364450.db2.gz PQTSWJHIYMLKLU-ZFWWWQNUSA-N 1 3 312.458 0.737 20 0 DCADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000341286712 253364451 /nfs/dbraw/zinc/36/44/51/253364451.db2.gz PQTSWJHIYMLKLU-ZFWWWQNUSA-N 1 3 312.458 0.737 20 0 DCADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000346992281 254119760 /nfs/dbraw/zinc/11/97/60/254119760.db2.gz ANWWFWLBMMUHIO-ZDUSSCGKSA-N 1 3 305.378 0.702 20 0 DCADHO CCN1CCC(NC(=O)CN2CCC(C[NH+](C)C)CC2)CC1 ZINC000341183357 285188115 /nfs/dbraw/zinc/18/81/15/285188115.db2.gz JRZZLFHKSTZGRB-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000349907798 254303793 /nfs/dbraw/zinc/30/37/93/254303793.db2.gz SEBVYQJOEDMLND-OAHLLOKOSA-N 1 3 312.458 0.738 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000369173637 285318585 /nfs/dbraw/zinc/31/85/85/285318585.db2.gz JGQFNJZOVFVCAT-LZLYRXPVSA-N 1 3 322.497 0.766 20 0 DCADHO Cc1nccn1CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000270846728 395814879 /nfs/dbraw/zinc/81/48/79/395814879.db2.gz GYOHUGCLPYTTTA-UHFFFAOYSA-N 1 3 307.442 0.581 20 0 DCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000237026968 395900474 /nfs/dbraw/zinc/90/04/74/395900474.db2.gz ZYTHOVMMTCJEGJ-IHRRRGAJSA-N 1 3 312.458 0.419 20 0 DCADHO COCCC[NH+]1CCC(NC(=O)C[C@@H]2CSCCN2)CC1 ZINC000237195069 395906309 /nfs/dbraw/zinc/90/63/09/395906309.db2.gz XDEWMRQUCKDIKC-CQSZACIVSA-N 1 3 315.483 0.699 20 0 DCADHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000261650508 396052134 /nfs/dbraw/zinc/05/21/34/396052134.db2.gz DGHFETLYJFMHRK-RFGFWPKPSA-N 1 3 301.456 0.327 20 0 DCADHO C[C@H]1CN(CC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000261783920 396065760 /nfs/dbraw/zinc/06/57/60/396065760.db2.gz FPTUUHLITZQURU-ZDUSSCGKSA-N 1 3 315.425 0.634 20 0 DCADHO Cn1nnc2cc(CN3CC[C@H](N4CC[NH2+]CC4)C3)ccc21 ZINC000262155166 396104841 /nfs/dbraw/zinc/10/48/41/396104841.db2.gz RRZAINUBEWPZMS-AWEZNQCLSA-N 1 3 300.410 0.448 20 0 DCADHO COc1cc(CNC(=O)[C@H](C)C[NH3+])ccc1OCCN(C)C ZINC000262405576 396136481 /nfs/dbraw/zinc/13/64/81/396136481.db2.gz PYZOWRKLUZODCN-GFCCVEGCSA-N 1 3 309.410 0.847 20 0 DCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@H]1C ZINC000263249009 396209415 /nfs/dbraw/zinc/20/94/15/396209415.db2.gz OCBXAKBODRQIHW-NFAWXSAZSA-N 1 3 312.458 0.417 20 0 DCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@H]1C ZINC000263249009 396209417 /nfs/dbraw/zinc/20/94/17/396209417.db2.gz OCBXAKBODRQIHW-NFAWXSAZSA-N 1 3 312.458 0.417 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000074223918 396160851 /nfs/dbraw/zinc/16/08/51/396160851.db2.gz LZPHLVVVQOMYHG-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCC1(O)CCN(C)CC1 ZINC000077796840 396233576 /nfs/dbraw/zinc/23/35/76/396233576.db2.gz NRAOBLKIJHAFSU-CYBMUJFWSA-N 1 3 300.447 0.473 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000268887424 396376068 /nfs/dbraw/zinc/37/60/68/396376068.db2.gz ZGLHKVQJFMWEMK-CZUORRHYSA-N 1 3 316.409 0.770 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)C2)CC1 ZINC000580772755 396498606 /nfs/dbraw/zinc/49/86/06/396498606.db2.gz UMVQUJOWRRTKDP-JFIYKMOQSA-N 1 3 320.481 0.613 20 0 DCADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000580946192 396513113 /nfs/dbraw/zinc/51/31/13/396513113.db2.gz JYJTUZSCHHYKRR-MJBXVCDLSA-N 1 3 303.410 0.717 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])CN1CCN(C)CC1 ZINC000581882540 396589643 /nfs/dbraw/zinc/58/96/43/396589643.db2.gz ZUWHPWQUQLLAMD-PMPSAXMXSA-N 1 3 310.486 0.894 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000581884816 396590373 /nfs/dbraw/zinc/59/03/73/396590373.db2.gz ZUXARVLULSZVBD-KBPBESRZSA-N 1 3 302.802 0.387 20 0 DCADHO CNC[C@@H](O)C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000581884817 396590917 /nfs/dbraw/zinc/59/09/17/396590917.db2.gz ZUXARVLULSZVBD-KGLIPLIRSA-N 1 3 302.802 0.387 20 0 DCADHO COC(=O)CC1([NH2+]C[C@@H](O)CN(C)C(C)C)CCOCC1 ZINC000595383547 396599419 /nfs/dbraw/zinc/59/94/19/396599419.db2.gz IYZRVIMOFZYJJU-CYBMUJFWSA-N 1 3 302.415 0.389 20 0 DCADHO N[C@H]1C[C@@H]2CN(Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000595902660 396679066 /nfs/dbraw/zinc/67/90/66/396679066.db2.gz DJAXDPJZFMKGRS-ZBFHGGJFSA-N 1 3 300.406 0.076 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC[NH2+]1 ZINC000562829685 396683494 /nfs/dbraw/zinc/68/34/94/396683494.db2.gz OFNGEZSFTPDXOK-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nccc1N1CCC[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000563003327 396692317 /nfs/dbraw/zinc/69/23/17/396692317.db2.gz QRMGKWRASWHSKK-DZGCQCFKSA-N 1 3 307.442 0.434 20 0 DCADHO Cn1nccc1N1CCC[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000563003327 396692318 /nfs/dbraw/zinc/69/23/18/396692318.db2.gz QRMGKWRASWHSKK-DZGCQCFKSA-N 1 3 307.442 0.434 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000563088467 396701244 /nfs/dbraw/zinc/70/12/44/396701244.db2.gz GFZWEWBNEOOMBE-MRXNPFEDSA-N 1 3 300.406 0.410 20 0 DCADHO CCN1CCN(CCCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000563091735 396701492 /nfs/dbraw/zinc/70/14/92/396701492.db2.gz DSVSWBWRKUCMDB-CABCVRRESA-N 1 3 313.490 0.829 20 0 DCADHO O=C(CN1CC[NH2+]CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303089412 396724024 /nfs/dbraw/zinc/72/40/24/396724024.db2.gz OPUAVCGCJFWQEQ-QGZVFWFLSA-N 1 3 316.449 0.672 20 0 DCADHO CN(C)CCOc1cc(CNC[C@@H](O)C[NH+]2CCCC2)ccn1 ZINC000629573504 396793685 /nfs/dbraw/zinc/79/36/85/396793685.db2.gz DLHRPXPLVQBQDJ-MRXNPFEDSA-N 1 3 322.453 0.568 20 0 DCADHO CCN1CC[C@H](N(C)C(=O)c2cn(CCCC[NH3+])nn2)C[C@H]1C ZINC000564800121 396870930 /nfs/dbraw/zinc/87/09/30/396870930.db2.gz CAAQKFMOVCEMML-KGLIPLIRSA-N 1 3 322.457 0.962 20 0 DCADHO CNCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000564083577 396807444 /nfs/dbraw/zinc/80/74/44/396807444.db2.gz MNEWJIIVAOSHMD-UHFFFAOYSA-N 1 3 305.426 0.802 20 0 DCADHO CCOC(=O)C1([C@H](C)NC[C@H](C)S(C)(=O)=O)CC[NH2+]CC1 ZINC000596654233 396810282 /nfs/dbraw/zinc/81/02/82/396810282.db2.gz IAAIPLJMCRNNTE-RYUDHWBXSA-N 1 3 320.455 0.331 20 0 DCADHO [NH3+][C@H](CC(=O)NCCCN1CCC(O)CC1)Cc1ccccc1 ZINC000564938548 396904655 /nfs/dbraw/zinc/90/46/55/396904655.db2.gz WSBYBQBXJMAGSN-INIZCTEOSA-N 1 3 319.449 0.910 20 0 DCADHO C[C@H]1CCN(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000569977390 396931861 /nfs/dbraw/zinc/93/18/61/396931861.db2.gz MDRXTYPTVPOGHJ-QWHCGFSZSA-N 1 3 306.414 0.102 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339300836 396956186 /nfs/dbraw/zinc/95/61/86/396956186.db2.gz KGTLZALHCSPEJD-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339300836 396956191 /nfs/dbraw/zinc/95/61/91/396956191.db2.gz KGTLZALHCSPEJD-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000376696232 396965623 /nfs/dbraw/zinc/96/56/23/396965623.db2.gz VLPWGKAXRMQMCC-UKRRQHHQSA-N 1 3 300.422 0.078 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000571833379 396993004 /nfs/dbraw/zinc/99/30/04/396993004.db2.gz RYGYHRZVUGTCCD-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000571833379 396993007 /nfs/dbraw/zinc/99/30/07/396993007.db2.gz RYGYHRZVUGTCCD-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CO[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)[C@@](C)(C[NH3+])C1 ZINC000630376552 397002654 /nfs/dbraw/zinc/00/26/54/397002654.db2.gz DNVUUHMLAYFXNL-IAQYHMDHSA-N 1 3 309.435 0.972 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CN1C1CC1 ZINC000346198414 397020553 /nfs/dbraw/zinc/02/05/53/397020553.db2.gz YVZNHHBMXPCJEF-STQMWFEESA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000346198414 397020560 /nfs/dbraw/zinc/02/05/60/397020560.db2.gz YVZNHHBMXPCJEF-STQMWFEESA-N 1 3 322.453 0.280 20 0 DCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000571639659 396971652 /nfs/dbraw/zinc/97/16/52/396971652.db2.gz CLSHCZHBNQYCDE-CABZTGNLSA-N 1 3 300.366 0.867 20 0 DCADHO C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)N(C)C1CC1 ZINC000340804967 396973818 /nfs/dbraw/zinc/97/38/18/396973818.db2.gz VFSKQCHCCALKBG-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC(C)C)CC2)C1 ZINC000349905795 397078194 /nfs/dbraw/zinc/07/81/94/397078194.db2.gz NKFDDZFIMVAUDR-OAHLLOKOSA-N 1 3 312.458 0.690 20 0 DCADHO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(CC(C)C)CC2)C1 ZINC000349905795 397078197 /nfs/dbraw/zinc/07/81/97/397078197.db2.gz NKFDDZFIMVAUDR-OAHLLOKOSA-N 1 3 312.458 0.690 20 0 DCADHO N[C@H](Cc1ccccc1)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377529342 397094707 /nfs/dbraw/zinc/09/47/07/397094707.db2.gz BRSLXDVGEJEDRP-HZPDHXFCSA-N 1 3 302.422 0.063 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)CC2([NH3+])CCC2)CC1 ZINC000592138836 397101824 /nfs/dbraw/zinc/10/18/24/397101824.db2.gz KWBCVWFHGOECJU-UHFFFAOYSA-N 1 3 311.426 0.649 20 0 DCADHO CN(CCC[NH+](C)C)CCn1cc([C@@H](N)[C@@H]2CCCO2)nn1 ZINC000630611367 397060490 /nfs/dbraw/zinc/06/04/90/397060490.db2.gz FCALSFQRCDVVMH-LSDHHAIUSA-N 1 3 310.446 0.340 20 0 DCADHO COC(=O)CC1(NC[C@@H](O)C[N@H+](C)C2CC2)CCOCC1 ZINC000351713774 397129682 /nfs/dbraw/zinc/12/96/82/397129682.db2.gz WMEWOJPCLSYFKR-CYBMUJFWSA-N 1 3 300.399 0.143 20 0 DCADHO COC(=O)CC1(NC[C@@H](O)C[N@@H+](C)C2CC2)CCOCC1 ZINC000351713774 397129689 /nfs/dbraw/zinc/12/96/89/397129689.db2.gz WMEWOJPCLSYFKR-CYBMUJFWSA-N 1 3 300.399 0.143 20 0 DCADHO CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000592219754 397135094 /nfs/dbraw/zinc/13/50/94/397135094.db2.gz WIHGJLJGXLEOPK-JKSUJKDBSA-N 1 3 310.486 0.987 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972740 397167020 /nfs/dbraw/zinc/16/70/20/397167020.db2.gz AJJUOHSCJOHCTG-LSDHHAIUSA-N 1 3 324.469 0.881 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@H]1CC12CC[NH2+]CC2 ZINC000612982192 397170347 /nfs/dbraw/zinc/17/03/47/397170347.db2.gz IKHVLSUCXJTXPT-KGLIPLIRSA-N 1 3 310.442 0.275 20 0 DCADHO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCCN(CCCO)C1 ZINC000612983663 397171739 /nfs/dbraw/zinc/17/17/39/397171739.db2.gz QLEHZIBQRIIQKB-KBPBESRZSA-N 1 3 310.442 0.275 20 0 DCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CCCN(CCCO)C1 ZINC000612983665 397172236 /nfs/dbraw/zinc/17/22/36/397172236.db2.gz QLEHZIBQRIIQKB-UONOGXRCSA-N 1 3 310.442 0.275 20 0 DCADHO O=C([C@H]1CCCN1C1CCOCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000573605644 397185969 /nfs/dbraw/zinc/18/59/69/397185969.db2.gz JFPVXMCJRXKXLR-IJEWVQPXSA-N 1 3 307.438 0.983 20 0 DCADHO CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000626912989 397285427 /nfs/dbraw/zinc/28/54/27/397285427.db2.gz UHCJFXLSAIGKGM-CYBMUJFWSA-N 1 3 320.393 0.044 20 0 DCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000578067774 397385071 /nfs/dbraw/zinc/38/50/71/397385071.db2.gz AIKLTTNJVRBDTA-MJBXVCDLSA-N 1 3 300.447 0.504 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419730115 397382037 /nfs/dbraw/zinc/38/20/37/397382037.db2.gz JIRKVQPJMWJXLN-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419773051 397382055 /nfs/dbraw/zinc/38/20/55/397382055.db2.gz ILZNKUBFFMIWPY-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000460036866 397441528 /nfs/dbraw/zinc/44/15/28/397441528.db2.gz SUAAYNPBTDRELV-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CSCC[C@@H](N)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000602602089 397446899 /nfs/dbraw/zinc/44/68/99/397446899.db2.gz NUQDRACODSRNDA-GFCCVEGCSA-N 1 3 309.439 0.510 20 0 DCADHO N[C@@H](C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1)C1CCOCC1 ZINC000370294659 397466319 /nfs/dbraw/zinc/46/63/19/397466319.db2.gz RBYKRWKWOKKFHV-BZUAXINKSA-N 1 3 321.396 0.833 20 0 DCADHO CCCN(C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000578738647 397475100 /nfs/dbraw/zinc/47/51/00/397475100.db2.gz IOCABBVKWGNFTI-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000578765185 397481212 /nfs/dbraw/zinc/48/12/12/397481212.db2.gz LKDBUTKUPIQRAK-INIZCTEOSA-N 1 3 305.422 0.968 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000370681429 397514424 /nfs/dbraw/zinc/51/44/24/397514424.db2.gz GLALIMIWAAFPAY-OAHLLOKOSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC1(C[NH3+])CC1 ZINC000579001551 397512480 /nfs/dbraw/zinc/51/24/80/397512480.db2.gz UXLVHZGQSNDFDR-ZDUSSCGKSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C)CCn1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000579141851 397529382 /nfs/dbraw/zinc/52/93/82/397529382.db2.gz SJLGXLLVWZUFJW-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CN(C)CCn1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000579141851 397529385 /nfs/dbraw/zinc/52/93/85/397529385.db2.gz SJLGXLLVWZUFJW-AWEZNQCLSA-N 1 3 307.442 0.906 20 0 DCADHO CCN(CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000371016111 397532897 /nfs/dbraw/zinc/53/28/97/397532897.db2.gz MPVRQVPMCKSDDM-AWEZNQCLSA-N 1 3 308.470 0.755 20 0 DCADHO CCN(CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000371016111 397532899 /nfs/dbraw/zinc/53/28/99/397532899.db2.gz MPVRQVPMCKSDDM-AWEZNQCLSA-N 1 3 308.470 0.755 20 0 DCADHO CCN(CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000371016111 397532901 /nfs/dbraw/zinc/53/29/01/397532901.db2.gz MPVRQVPMCKSDDM-AWEZNQCLSA-N 1 3 308.470 0.755 20 0 DCADHO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000604206016 397634902 /nfs/dbraw/zinc/63/49/02/397634902.db2.gz ZVCUXVBSHBMYFZ-HOCLYGCPSA-N 1 3 324.469 0.615 20 0 DCADHO CN1CCCC[C@@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000606371607 397679554 /nfs/dbraw/zinc/67/95/54/397679554.db2.gz INROHYCRYYEBPM-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1cc(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)[nH]n1 ZINC000606696137 397686815 /nfs/dbraw/zinc/68/68/15/397686815.db2.gz UNPJJTAWJQJBTD-UHFFFAOYSA-N 1 3 322.457 0.886 20 0 DCADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000609201872 397763810 /nfs/dbraw/zinc/76/38/10/397763810.db2.gz ZJHKXAZHQUICQP-CYBMUJFWSA-N 1 3 313.442 0.670 20 0 DCADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000609201872 397763813 /nfs/dbraw/zinc/76/38/13/397763813.db2.gz ZJHKXAZHQUICQP-CYBMUJFWSA-N 1 3 313.442 0.670 20 0 DCADHO C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)N1CCC(C)CC1 ZINC000123929439 158235436 /nfs/dbraw/zinc/23/54/36/158235436.db2.gz XTNHZBBXGIBSEB-GOEBONIOSA-N 1 3 314.474 0.719 20 0 DCADHO COCCN1CCC(NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000133564425 158320930 /nfs/dbraw/zinc/32/09/30/158320930.db2.gz BZLYQIHOXLNQBH-CYBMUJFWSA-N 1 3 301.456 0.309 20 0 DCADHO CCCN(C)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000359262374 159256939 /nfs/dbraw/zinc/25/69/39/159256939.db2.gz MADBWRZWXMKBSX-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CCC[N@H+](C)CC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000359262374 159256941 /nfs/dbraw/zinc/25/69/41/159256941.db2.gz MADBWRZWXMKBSX-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CCC[N@@H+](C)CC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000359262374 159256942 /nfs/dbraw/zinc/25/69/42/159256942.db2.gz MADBWRZWXMKBSX-UHFFFAOYSA-N 1 3 312.458 0.341 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000359275690 159260021 /nfs/dbraw/zinc/26/00/21/159260021.db2.gz FVLSSRMIQCISMY-UKRRQHHQSA-N 1 3 324.469 0.576 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418353053 287245627 /nfs/dbraw/zinc/24/56/27/287245627.db2.gz VLCWCBUJRWAFGP-KGLIPLIRSA-N 1 3 300.447 0.594 20 0 DCADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN(C)Cc1ccccc1 ZINC000418991965 287259178 /nfs/dbraw/zinc/25/91/78/287259178.db2.gz FIXNWHZAPRJNSM-AWEZNQCLSA-N 1 3 320.437 0.478 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419021303 287261614 /nfs/dbraw/zinc/26/16/14/287261614.db2.gz GTDJRDMWZQQCPK-KBXIAJHMSA-N 1 3 324.469 0.419 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419023951 287262895 /nfs/dbraw/zinc/26/28/95/287262895.db2.gz KMIZBHHGBYDQDR-CBBWQLFWSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000419024326 287263357 /nfs/dbraw/zinc/26/33/57/287263357.db2.gz KNKVLWQPNCGAJW-UONOGXRCSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N1CCC(C)CC1 ZINC000419145078 287266830 /nfs/dbraw/zinc/26/68/30/287266830.db2.gz GNMUMCGVBPKXML-KFWWJZLASA-N 1 3 324.469 0.419 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336156 287291243 /nfs/dbraw/zinc/29/12/43/287291243.db2.gz LNGOVGVCIRJHEA-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO CC(C)NC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335908 287291325 /nfs/dbraw/zinc/29/13/25/287291325.db2.gz IBLNBSGQAUKKNN-BFHYXJOUSA-N 1 3 310.442 0.931 20 0 DCADHO Cn1cc(N2CCC[C@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)cn1 ZINC000420335587 287291333 /nfs/dbraw/zinc/29/13/33/287291333.db2.gz LRXTUYSTQVFFKH-LZWOXQAQSA-N 1 3 317.437 0.847 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1N(C)C ZINC000331608071 415151184 /nfs/dbraw/zinc/15/11/84/415151184.db2.gz DNTNWWHRCVGCOW-KBXIAJHMSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1N(C)C ZINC000331608071 415151188 /nfs/dbraw/zinc/15/11/88/415151188.db2.gz DNTNWWHRCVGCOW-KBXIAJHMSA-N 1 3 322.453 0.138 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CCCCC1 ZINC000332106010 415245449 /nfs/dbraw/zinc/24/54/49/415245449.db2.gz UHEAKRYSVRYZRJ-CABCVRRESA-N 1 3 322.453 0.317 20 0 DCADHO CN(C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000342666927 415248183 /nfs/dbraw/zinc/24/81/83/415248183.db2.gz OLBMPODVOANULC-LSDHHAIUSA-N 1 3 312.458 0.615 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000342697582 415256164 /nfs/dbraw/zinc/25/61/64/415256164.db2.gz SBFHPMHCMFPTLW-KGLIPLIRSA-N 1 3 311.426 0.457 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000342697582 415256172 /nfs/dbraw/zinc/25/61/72/415256172.db2.gz SBFHPMHCMFPTLW-KGLIPLIRSA-N 1 3 311.426 0.457 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000342699848 415262521 /nfs/dbraw/zinc/26/25/21/415262521.db2.gz WAJYCCBLJLFSJE-KBPBESRZSA-N 1 3 313.442 0.895 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000342699848 415262531 /nfs/dbraw/zinc/26/25/31/415262531.db2.gz WAJYCCBLJLFSJE-KBPBESRZSA-N 1 3 313.442 0.895 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000332575075 415415629 /nfs/dbraw/zinc/41/56/29/415415629.db2.gz FNYKJCVTXPLHLP-KBUPBQIOSA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073291083 415418667 /nfs/dbraw/zinc/41/86/67/415418667.db2.gz CQEDVOYFWHZKIN-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000073291083 415418674 /nfs/dbraw/zinc/41/86/74/415418674.db2.gz CQEDVOYFWHZKIN-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000343089903 415440015 /nfs/dbraw/zinc/44/00/15/415440015.db2.gz FQTNLRPSKYQVGD-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000343089903 415440023 /nfs/dbraw/zinc/44/00/23/415440023.db2.gz FQTNLRPSKYQVGD-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO CCN1CC[C@@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000353753069 415648630 /nfs/dbraw/zinc/64/86/30/415648630.db2.gz UZWRBZQBDIRWDW-GXTWGEPZSA-N 1 3 308.426 0.389 20 0 DCADHO CCN1CC[C@@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1C ZINC000353753069 415648649 /nfs/dbraw/zinc/64/86/49/415648649.db2.gz UZWRBZQBDIRWDW-GXTWGEPZSA-N 1 3 308.426 0.389 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@@H](N2CCCCC2)C1 ZINC000333481966 415664946 /nfs/dbraw/zinc/66/49/46/415664946.db2.gz CEFLYIZHINPJBT-CABCVRRESA-N 1 3 310.442 0.635 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343681290 415681840 /nfs/dbraw/zinc/68/18/40/415681840.db2.gz SOYWLFNZZZCROZ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000343681290 415681846 /nfs/dbraw/zinc/68/18/46/415681846.db2.gz SOYWLFNZZZCROZ-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCCN1CCC(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000343791476 415730186 /nfs/dbraw/zinc/73/01/86/415730186.db2.gz OVZJBAXXWXNAHD-AGUYFDCRSA-N 1 3 307.438 0.792 20 0 DCADHO CC(C)OC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343746890 415707351 /nfs/dbraw/zinc/70/73/51/415707351.db2.gz XYTCZHCYAHMWKU-WBVHZDCISA-N 1 3 313.486 0.873 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343821911 415743275 /nfs/dbraw/zinc/74/32/75/415743275.db2.gz XYIQLYOIMTZKRE-CVEARBPZSA-N 1 3 308.470 0.470 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343821911 415743283 /nfs/dbraw/zinc/74/32/83/415743283.db2.gz XYIQLYOIMTZKRE-CVEARBPZSA-N 1 3 308.470 0.470 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000120502392 415769322 /nfs/dbraw/zinc/76/93/22/415769322.db2.gz ITJVIQVRSZCKCF-QGZVFWFLSA-N 1 3 310.486 0.910 20 0 DCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343961183 415800317 /nfs/dbraw/zinc/80/03/17/415800317.db2.gz SOGFSSQJODHFAV-IRXDYDNUSA-N 1 3 320.481 0.567 20 0 DCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343961183 415800323 /nfs/dbraw/zinc/80/03/23/415800323.db2.gz SOGFSSQJODHFAV-IRXDYDNUSA-N 1 3 320.481 0.567 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1)N(C)C ZINC000338204163 416058704 /nfs/dbraw/zinc/05/87/04/416058704.db2.gz JNGNPAMXSUWRAM-AWEZNQCLSA-N 1 3 313.442 0.718 20 0 DCADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)CN1CCN(C)CC1 ZINC000174350366 416078263 /nfs/dbraw/zinc/07/82/63/416078263.db2.gz JBRQDYWLMBAHPF-LSDHHAIUSA-N 1 3 311.474 0.263 20 0 DCADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)CN1CCN(C)CC1 ZINC000174350366 416078268 /nfs/dbraw/zinc/07/82/68/416078268.db2.gz JBRQDYWLMBAHPF-LSDHHAIUSA-N 1 3 311.474 0.263 20 0 DCADHO CCCC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000338027406 416035302 /nfs/dbraw/zinc/03/53/02/416035302.db2.gz BXUPYYMRVZAAER-GHMZBOCLSA-N 1 3 310.364 0.456 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000171194155 416038277 /nfs/dbraw/zinc/03/82/77/416038277.db2.gz NUCWNZNWNSPDFV-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000171194155 416038279 /nfs/dbraw/zinc/03/82/79/416038279.db2.gz NUCWNZNWNSPDFV-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CCOCC1 ZINC000171165972 416038519 /nfs/dbraw/zinc/03/85/19/416038519.db2.gz PWKBNDWRMGSAFO-HNNXBMFYSA-N 1 3 312.458 0.787 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CCOCC1 ZINC000171165972 416038521 /nfs/dbraw/zinc/03/85/21/416038521.db2.gz PWKBNDWRMGSAFO-HNNXBMFYSA-N 1 3 312.458 0.787 20 0 DCADHO COCCC[N@H+](C)CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000174791807 416087923 /nfs/dbraw/zinc/08/79/23/416087923.db2.gz SWGAVQQYIBHQHS-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO COCCC[N@@H+](C)CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000174791807 416087927 /nfs/dbraw/zinc/08/79/27/416087927.db2.gz SWGAVQQYIBHQHS-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CC1(O)CCN(CCOCC[NH+]2CCC(C)(O)CC2)CC1 ZINC000177308634 416144151 /nfs/dbraw/zinc/14/41/51/416144151.db2.gz GIGSYXSDBJRNDC-UHFFFAOYSA-N 1 3 300.443 0.697 20 0 DCADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000339360359 416157368 /nfs/dbraw/zinc/15/73/68/416157368.db2.gz HCYOXJIYIZOWAG-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO CN(C)CCOCCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358225096 416215578 /nfs/dbraw/zinc/21/55/78/416215578.db2.gz BLQNLLZEIWBCKF-UHFFFAOYSA-N 1 3 314.474 0.986 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)CC[N@@H+]1C ZINC000348018938 416230570 /nfs/dbraw/zinc/23/05/70/416230570.db2.gz PSJNUJKGYVJKFN-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)CC[N@H+]1C ZINC000348018938 416230573 /nfs/dbraw/zinc/23/05/73/416230573.db2.gz PSJNUJKGYVJKFN-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CCCN2C)C1 ZINC000348105918 416231812 /nfs/dbraw/zinc/23/18/12/416231812.db2.gz GKUPKUGYTJLFFR-OWCLPIDISA-N 1 3 324.469 0.975 20 0 DCADHO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358515576 416247169 /nfs/dbraw/zinc/24/71/69/416247169.db2.gz ZHRCIWJXGIQORW-ZDUSSCGKSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](CC(N)=O)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000341904039 416250015 /nfs/dbraw/zinc/25/00/15/416250015.db2.gz UOWVUULMRKXOSP-CQSZACIVSA-N 1 3 305.426 0.447 20 0 DCADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188762671 416264801 /nfs/dbraw/zinc/26/48/01/416264801.db2.gz SZGNGGMFOKONNK-FPMFFAJLSA-N 1 3 301.406 0.238 20 0 DCADHO CC1CC[NH+](CCCNC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000358683641 416268728 /nfs/dbraw/zinc/26/87/28/416268728.db2.gz RLYAEGMESGZJFC-INIZCTEOSA-N 1 3 312.458 0.474 20 0 DCADHO C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)C(C)(C)C[NH+](C)C ZINC000358712541 416272888 /nfs/dbraw/zinc/27/28/88/416272888.db2.gz VJKLEPXIHQBLQX-SWLSCSKDSA-N 1 3 300.447 0.329 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000342070367 416279762 /nfs/dbraw/zinc/27/97/62/416279762.db2.gz ZSURBHAFHOWNIJ-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342070367 416279766 /nfs/dbraw/zinc/27/97/66/416279766.db2.gz ZSURBHAFHOWNIJ-GXTWGEPZSA-N 1 3 310.442 0.186 20 0 DCADHO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)C[C@H]21 ZINC000342121685 416284256 /nfs/dbraw/zinc/28/42/56/416284256.db2.gz IUGYXQLJSCCPQL-IAOVAPTHSA-N 1 3 320.481 0.789 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415402005 416341574 /nfs/dbraw/zinc/34/15/74/416341574.db2.gz VGNABXMYJVHCRQ-AWEZNQCLSA-N 1 3 318.421 0.863 20 0 DCADHO [NH3+]C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCCC1 ZINC000237888122 416328893 /nfs/dbraw/zinc/32/88/93/416328893.db2.gz IRGFCXOHKQEUGN-UHFFFAOYSA-N 1 3 322.453 0.415 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000419920383 416415364 /nfs/dbraw/zinc/41/53/64/416415364.db2.gz WXJQXMNGIJTNKU-QLFBSQMISA-N 1 3 324.469 0.339 20 0 DCADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[NH3+])c1 ZINC000420029303 416416680 /nfs/dbraw/zinc/41/66/80/416416680.db2.gz NJWYMZKILKKGLZ-AWEZNQCLSA-N 1 3 320.437 0.349 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000360169291 416376474 /nfs/dbraw/zinc/37/64/74/416376474.db2.gz CWSPIYMNDKAVIV-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000360169291 416376475 /nfs/dbraw/zinc/37/64/75/416376475.db2.gz CWSPIYMNDKAVIV-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000416958287 416381397 /nfs/dbraw/zinc/38/13/97/416381397.db2.gz OXNIZOUXFQWDNP-HUUCEWRRSA-N 1 3 313.490 0.541 20 0 DCADHO C[C@H](CCC[NH3+])NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418117757 416384852 /nfs/dbraw/zinc/38/48/52/416384852.db2.gz SDWNYCMZTDUDLC-KGLIPLIRSA-N 1 3 300.447 0.914 20 0 DCADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418659604 416388632 /nfs/dbraw/zinc/38/86/32/416388632.db2.gz XOYJCJPRINEUNR-ZBFHGGJFSA-N 1 3 319.453 0.452 20 0 DCADHO O=C(NC[C@H]1CCCN1CCCO)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418662355 416388728 /nfs/dbraw/zinc/38/87/28/416388728.db2.gz SRVVTJJVASDROO-OWCLPIDISA-N 1 3 324.469 0.521 20 0 DCADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418711065 416389651 /nfs/dbraw/zinc/38/96/51/416389651.db2.gz VOGQKHVFKBILAT-KBPBESRZSA-N 1 3 300.447 0.650 20 0 DCADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419034393 416395549 /nfs/dbraw/zinc/39/55/49/416395549.db2.gz ZLRVOIZXOXNMQZ-MELADBBJSA-N 1 3 312.458 0.147 20 0 DCADHO C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCSC1 ZINC000360656159 416401906 /nfs/dbraw/zinc/40/19/06/416401906.db2.gz GIQNYEPVFKXBAM-DOMZBBRYSA-N 1 3 312.483 0.960 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419501459 416402535 /nfs/dbraw/zinc/40/25/35/416402535.db2.gz BOUMWWNMQCLKBA-CYBMUJFWSA-N 1 3 310.442 0.259 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419736733 416407699 /nfs/dbraw/zinc/40/76/99/416407699.db2.gz RXVKENNWJWHPGA-BFHYXJOUSA-N 1 3 310.442 0.030 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419757410 416409184 /nfs/dbraw/zinc/40/91/84/416409184.db2.gz CQWDUNCVIDTWTK-MRXNPFEDSA-N 1 3 310.442 0.047 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419772497 416410215 /nfs/dbraw/zinc/41/02/15/416410215.db2.gz IBXQLEYKTJOWNC-GFCCVEGCSA-N 1 3 310.442 0.221 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000458448733 416470919 /nfs/dbraw/zinc/47/09/19/416470919.db2.gz YEBNNFYGMDXMQC-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000458448733 416470924 /nfs/dbraw/zinc/47/09/24/416470924.db2.gz YEBNNFYGMDXMQC-CABCVRRESA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000423246692 416480495 /nfs/dbraw/zinc/48/04/95/416480495.db2.gz ZUNFDZPVRJKWSW-IHRRRGAJSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1=CC[N@H+](C)CC1 ZINC000458636922 416488794 /nfs/dbraw/zinc/48/87/94/416488794.db2.gz RZWLZLXMTQZYFH-GOEBONIOSA-N 1 3 324.469 0.783 20 0 DCADHO C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1=CC[N@@H+](C)CC1 ZINC000458636922 416488797 /nfs/dbraw/zinc/48/87/97/416488797.db2.gz RZWLZLXMTQZYFH-GOEBONIOSA-N 1 3 324.469 0.783 20 0 DCADHO COCCN(C)CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420809335 416419710 /nfs/dbraw/zinc/41/97/10/416419710.db2.gz XXABJHGXQTUMRS-UHFFFAOYSA-N 1 3 300.447 0.737 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423571522 416523266 /nfs/dbraw/zinc/52/32/66/416523266.db2.gz XQNJKYUWMDSGFL-KGLIPLIRSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)CCN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423715222 416545457 /nfs/dbraw/zinc/54/54/57/416545457.db2.gz UFSAZWQPCZUNNL-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423717476 416545867 /nfs/dbraw/zinc/54/58/67/416545867.db2.gz ABGYHPZDLFDDNA-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN1CCC(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000434699467 416493337 /nfs/dbraw/zinc/49/33/37/416493337.db2.gz KYNBPZZAZQWQOS-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000423394822 416504293 /nfs/dbraw/zinc/50/42/93/416504293.db2.gz SLUPHXAZCSMDCK-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CN1CC[C@](O)(CNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458858936 416508121 /nfs/dbraw/zinc/50/81/21/416508121.db2.gz UNUMWWOWJICJEH-INIZCTEOSA-N 1 3 312.458 0.618 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423446279 416513685 /nfs/dbraw/zinc/51/36/85/416513685.db2.gz YYVWDXSZKJECOR-CYBMUJFWSA-N 1 3 308.430 0.621 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(CCN(C)C)C(C)C ZINC000423500230 416516379 /nfs/dbraw/zinc/51/63/79/416516379.db2.gz IJULEBBZYOULBH-CQSZACIVSA-N 1 3 314.474 0.617 20 0 DCADHO Cc1cc(CN)cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000424242754 416630758 /nfs/dbraw/zinc/63/07/58/416630758.db2.gz OVGAMQCJDRKJRV-AWEZNQCLSA-N 1 3 304.394 0.651 20 0 DCADHO CC(C)CNC(=O)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424285130 416637368 /nfs/dbraw/zinc/63/73/68/416637368.db2.gz FFCOLOYJWSVVMI-CYBMUJFWSA-N 1 3 310.442 0.932 20 0 DCADHO C[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])CN1CCN(C)CC1 ZINC000424463731 416648541 /nfs/dbraw/zinc/64/85/41/416648541.db2.gz OPPQIOYLGPLZEG-RRFJBIMHSA-N 1 3 311.474 0.439 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000367771145 416651444 /nfs/dbraw/zinc/65/14/44/416651444.db2.gz JVQQTOCHMBRCIK-INIZCTEOSA-N 1 3 320.441 1.004 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000367771145 416651449 /nfs/dbraw/zinc/65/14/49/416651449.db2.gz JVQQTOCHMBRCIK-INIZCTEOSA-N 1 3 320.441 1.004 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614847376 416713894 /nfs/dbraw/zinc/71/38/94/416713894.db2.gz KTGIKCFNWPISAX-HZPDHXFCSA-N 1 3 305.422 0.547 20 0 DCADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000614847376 416713896 /nfs/dbraw/zinc/71/38/96/416713896.db2.gz KTGIKCFNWPISAX-HZPDHXFCSA-N 1 3 305.422 0.547 20 0 DCADHO CC(C)[NH2+]CCC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000516179896 416717425 /nfs/dbraw/zinc/71/74/25/416717425.db2.gz LXILZAGBWPZVNA-CQSZACIVSA-N 1 3 312.458 0.481 20 0 DCADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CCSC1 ZINC000557193643 416727907 /nfs/dbraw/zinc/72/79/07/416727907.db2.gz MHHYZHVQZBAJLB-GXTWGEPZSA-N 1 3 300.472 0.804 20 0 DCADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@H](C[NH3+])C2)CCSC1 ZINC000557193644 416727980 /nfs/dbraw/zinc/72/79/80/416727980.db2.gz MHHYZHVQZBAJLB-JSGCOSHPSA-N 1 3 300.472 0.804 20 0 DCADHO CN(C)CCc1cn(C[C@@H](O)C[N@H+](C)Cc2ccccc2)nn1 ZINC000641215487 416737079 /nfs/dbraw/zinc/73/70/79/416737079.db2.gz XKUINWPKMZOWKI-KRWDZBQOSA-N 1 3 317.437 0.875 20 0 DCADHO CN(C)CCc1cn(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641215487 416737085 /nfs/dbraw/zinc/73/70/85/416737085.db2.gz XKUINWPKMZOWKI-KRWDZBQOSA-N 1 3 317.437 0.875 20 0 DCADHO CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369375475 416763278 /nfs/dbraw/zinc/76/32/78/416763278.db2.gz XSTVYKHAADUDFJ-HNNXBMFYSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369375475 416763285 /nfs/dbraw/zinc/76/32/85/416763285.db2.gz XSTVYKHAADUDFJ-HNNXBMFYSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369375475 416763289 /nfs/dbraw/zinc/76/32/89/416763289.db2.gz XSTVYKHAADUDFJ-HNNXBMFYSA-N 1 3 323.485 0.502 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1noc2c1COCC2 ZINC000623190571 416763513 /nfs/dbraw/zinc/76/35/13/416763513.db2.gz SXBVCSQDQICAOV-UHFFFAOYSA-N 1 3 310.398 0.313 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)CN1CCN(C)CC1 ZINC000426408011 416767914 /nfs/dbraw/zinc/76/79/14/416767914.db2.gz ATBXZDMADPCDRF-HNNXBMFYSA-N 1 3 322.497 0.861 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000517235270 416788129 /nfs/dbraw/zinc/78/81/29/416788129.db2.gz LJZIGHJSVIPOKH-CJNGLKHVSA-N 1 3 310.442 0.090 20 0 DCADHO C[NH+](C)CCCS(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000631923168 416803944 /nfs/dbraw/zinc/80/39/44/416803944.db2.gz OMFKALVCUKAIOZ-CQSZACIVSA-N 1 3 303.472 0.828 20 0 DCADHO COC[C@]1(CNS(=O)(=O)CCCN2CCCC2)CCC[NH2+]1 ZINC000631936368 416815903 /nfs/dbraw/zinc/81/59/03/416815903.db2.gz AKZOJEKAAVFJGC-CQSZACIVSA-N 1 3 319.471 0.160 20 0 DCADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CC[NH2+]2)c1 ZINC000444190668 416817039 /nfs/dbraw/zinc/81/70/39/416817039.db2.gz WSWMGKZVYHKOIE-MRXNPFEDSA-N 1 3 321.421 0.622 20 0 DCADHO O=S(=O)(CCCN1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631938470 416819248 /nfs/dbraw/zinc/81/92/48/416819248.db2.gz FCADXFSSCHDZTQ-KGLIPLIRSA-N 1 3 301.456 0.486 20 0 DCADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000615610699 416872369 /nfs/dbraw/zinc/87/23/69/416872369.db2.gz ZZORUXAHGKVSJA-RDJZCZTQSA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000615610699 416872375 /nfs/dbraw/zinc/87/23/75/416872375.db2.gz ZZORUXAHGKVSJA-RDJZCZTQSA-N 1 3 306.454 0.321 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000565255819 416960187 /nfs/dbraw/zinc/96/01/87/416960187.db2.gz VDBFRPZJTZGYAV-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000519592512 416920882 /nfs/dbraw/zinc/92/08/82/416920882.db2.gz JLHWZPNCYALNFX-CBBWQLFWSA-N 1 3 322.453 0.173 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446621844 416936682 /nfs/dbraw/zinc/93/66/82/416936682.db2.gz YCQQZBGZSUQIGP-UHFFFAOYSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@H]1C[N@H+](Cc2ccnc(N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000376055493 417017129 /nfs/dbraw/zinc/01/71/29/417017129.db2.gz QZVJHUFRRRSYKH-HOCLYGCPSA-N 1 3 303.454 1.122 20 0 DCADHO C[C@H]1C[N@@H+](Cc2ccnc(N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000376055493 417017134 /nfs/dbraw/zinc/01/71/34/417017134.db2.gz QZVJHUFRRRSYKH-HOCLYGCPSA-N 1 3 303.454 1.122 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000523819392 417097385 /nfs/dbraw/zinc/09/73/85/417097385.db2.gz TVIBAIZIDVWDMC-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000523819392 417097392 /nfs/dbraw/zinc/09/73/92/417097392.db2.gz TVIBAIZIDVWDMC-HNNXBMFYSA-N 1 3 314.474 0.984 20 0 DCADHO CCCN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000642785702 417097459 /nfs/dbraw/zinc/09/74/59/417097459.db2.gz DTDMTZGTFPXVLL-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CC1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC[NH2+]CC1 ZINC000642785964 417099049 /nfs/dbraw/zinc/09/90/49/417099049.db2.gz UUDUIJOVSUXBNP-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390791850 417099964 /nfs/dbraw/zinc/09/99/64/417099964.db2.gz XAGWUSSNLJCLHR-HNNXBMFYSA-N 1 3 304.438 0.528 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642785968 417101468 /nfs/dbraw/zinc/10/14/68/417101468.db2.gz UXOJAUQEOKURFW-NWANDNLSSA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)S(=O)(=O)CCCN1CCC(OCCC[NH3+])CC1 ZINC000430587758 417046180 /nfs/dbraw/zinc/04/61/80/417046180.db2.gz AGFYFOAMDWWSLR-UHFFFAOYSA-N 1 3 307.460 0.098 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000642439483 417051770 /nfs/dbraw/zinc/05/17/70/417051770.db2.gz ITXGBYGTBUWQTD-HNNXBMFYSA-N 1 3 322.453 0.403 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000642439558 417053134 /nfs/dbraw/zinc/05/31/34/417053134.db2.gz MAETUGNBTPXMOK-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000642440153 417055889 /nfs/dbraw/zinc/05/58/89/417055889.db2.gz XGOGZSYPWJGSIC-MJBXVCDLSA-N 1 3 310.442 0.234 20 0 DCADHO COCCN(C)CCOc1cccc(CNC(=O)C(C)(C)[NH3+])c1 ZINC000430895024 417075207 /nfs/dbraw/zinc/07/52/07/417075207.db2.gz RLJVHOPGPPLPBS-UHFFFAOYSA-N 1 3 323.437 0.997 20 0 DCADHO CC(C)[C@H](CNC(=O)CC1CC[NH2+]CC1)N1CCN(C)CC1 ZINC000386035101 417089818 /nfs/dbraw/zinc/08/98/18/417089818.db2.gz WLHFRRIPLCNZIJ-INIZCTEOSA-N 1 3 310.486 0.764 20 0 DCADHO [NH3+]C[C@@H]1CCN(CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430958888 417090827 /nfs/dbraw/zinc/09/08/27/417090827.db2.gz ZSOFDBCORSXWTM-AWEZNQCLSA-N 1 3 304.394 0.683 20 0 DCADHO C[NH+]1CCC(O)(CNCc2cnc(N3CCCC3)nc2)CC1 ZINC000525400296 417140190 /nfs/dbraw/zinc/14/01/90/417140190.db2.gz LCDNSNRAEVPCNY-UHFFFAOYSA-N 1 3 305.426 0.623 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000449342425 417141887 /nfs/dbraw/zinc/14/18/87/417141887.db2.gz BKUJLHDRIPACOB-KGLIPLIRSA-N 1 3 320.441 0.634 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449329060 417141992 /nfs/dbraw/zinc/14/19/92/417141992.db2.gz HJFGFGRNOGXZHF-UONOGXRCSA-N 1 3 322.457 0.736 20 0 DCADHO CN(C)CCn1c2cc(C(=O)NCCC[NH3+])ccc2[nH]c1=O ZINC000637803207 417189115 /nfs/dbraw/zinc/18/91/15/417189115.db2.gz XXUDYDHGDSVFIW-UHFFFAOYSA-N 1 3 305.382 0.382 20 0 DCADHO C[C@H](NC(=O)[C@@H](N)CN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000637822034 417199068 /nfs/dbraw/zinc/19/90/68/417199068.db2.gz XPHBGUNNRMMTKO-XIRDDKMYSA-N 1 3 318.465 0.950 20 0 DCADHO CO[C@H]1CN[C@@](C)(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000637823000 417200795 /nfs/dbraw/zinc/20/07/95/417200795.db2.gz HDNCEHGVXCRFCI-CZUORRHYSA-N 1 3 319.409 0.197 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O ZINC000617349502 417204607 /nfs/dbraw/zinc/20/46/07/417204607.db2.gz PZOHHCXBBSEVLM-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1=O ZINC000617349502 417204614 /nfs/dbraw/zinc/20/46/14/417204614.db2.gz PZOHHCXBBSEVLM-UONOGXRCSA-N 1 3 324.469 0.386 20 0 DCADHO COC[C@@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCCCN1 ZINC000637863728 417208852 /nfs/dbraw/zinc/20/88/52/417208852.db2.gz CWJZDVFTMNERTG-MRXNPFEDSA-N 1 3 313.442 0.502 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637863233 417208885 /nfs/dbraw/zinc/20/88/85/417208885.db2.gz WESYFGQAIUXKKB-HZPDHXFCSA-N 1 3 304.438 0.656 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000527131113 417218058 /nfs/dbraw/zinc/21/80/58/417218058.db2.gz FJTCCJXNOXFGEJ-RBSFLKMASA-N 1 3 312.458 0.689 20 0 DCADHO COCCN1CC[C@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433124203 417230751 /nfs/dbraw/zinc/23/07/51/417230751.db2.gz ALAMAGMDOGBAQX-HNNXBMFYSA-N 1 3 312.458 0.027 20 0 DCADHO COC[C@]1(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)CCCN1 ZINC000632869925 417284107 /nfs/dbraw/zinc/28/41/07/417284107.db2.gz SKEWBAQTCWEUMI-DYVFJYSZSA-N 1 3 303.406 0.919 20 0 DCADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000643552912 417242489 /nfs/dbraw/zinc/24/24/89/417242489.db2.gz YLRCRFIMLARBEI-INIZCTEOSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC[C@H]1[NH3+] ZINC000643558424 417246283 /nfs/dbraw/zinc/24/62/83/417246283.db2.gz JRAVYGGZOHMGRG-QLFBSQMISA-N 1 3 324.469 0.513 20 0 DCADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)C1 ZINC000643593073 417249733 /nfs/dbraw/zinc/24/97/33/417249733.db2.gz LOZADFCDLMSBTI-ZNMIVQPWSA-N 1 3 324.469 0.561 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000643594570 417254856 /nfs/dbraw/zinc/25/48/56/417254856.db2.gz RVCAHUSYNPWUFZ-WMLDXEAASA-N 1 3 322.453 0.141 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433375924 417259832 /nfs/dbraw/zinc/25/98/32/417259832.db2.gz MWCVUMBCVHAMSY-OLZOCXBDSA-N 1 3 306.414 0.369 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433375532 417260624 /nfs/dbraw/zinc/26/06/24/417260624.db2.gz LOLGTHLHPJSHDE-ZIAGYGMSSA-N 1 3 320.441 0.807 20 0 DCADHO NCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415269279 417349506 /nfs/dbraw/zinc/34/95/06/417349506.db2.gz KZHPICWNYLHQGF-UHFFFAOYSA-N 1 3 318.421 0.728 20 0 DCADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(CC)CC[NH3+] ZINC000627332816 417357013 /nfs/dbraw/zinc/35/70/13/417357013.db2.gz KUIJICWDNFYAHJ-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000638156496 417357030 /nfs/dbraw/zinc/35/70/30/417357030.db2.gz IEPMOVSXMIHVAP-UONOGXRCSA-N 1 3 301.431 0.167 20 0 DCADHO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000570509198 417361081 /nfs/dbraw/zinc/36/10/81/417361081.db2.gz SQTCYVKZZUMTGL-VGWMRTNUSA-N 1 3 301.475 0.776 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414797999 417302542 /nfs/dbraw/zinc/30/25/42/417302542.db2.gz XDIGBNDJHDDUPM-LBPRGKRZSA-N 1 3 318.421 0.727 20 0 DCADHO CCN(CCO)CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569864571 417303399 /nfs/dbraw/zinc/30/33/99/417303399.db2.gz AYYMRFODOKWICZ-KRWDZBQOSA-N 1 3 319.449 0.939 20 0 DCADHO CCN(CCO)CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569864571 417303403 /nfs/dbraw/zinc/30/34/03/417303403.db2.gz AYYMRFODOKWICZ-KRWDZBQOSA-N 1 3 319.449 0.939 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000414872534 417310010 /nfs/dbraw/zinc/31/00/10/417310010.db2.gz FPKBAVWVNYFUDX-HNNXBMFYSA-N 1 3 318.421 0.801 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621844605 417322687 /nfs/dbraw/zinc/32/26/87/417322687.db2.gz UINJHGQOFIISJL-PBHICJAKSA-N 1 3 322.453 0.174 20 0 DCADHO COc1ccc(OCC[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000415088071 417329907 /nfs/dbraw/zinc/32/99/07/417329907.db2.gz LNWNKVPECJKHRR-CQSZACIVSA-N 1 3 321.421 0.861 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000415220285 417342476 /nfs/dbraw/zinc/34/24/76/417342476.db2.gz UUVAYTFJXWRWLA-ZDUSSCGKSA-N 1 3 308.430 1.084 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000638262323 417394434 /nfs/dbraw/zinc/39/44/34/417394434.db2.gz NSVNDCIKYJTGLZ-OAHLLOKOSA-N 1 3 304.438 0.786 20 0 DCADHO O=C(CN1CCNCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638308086 417415194 /nfs/dbraw/zinc/41/51/94/417415194.db2.gz GGWIQZWFUSJLCK-ZBFHGGJFSA-N 1 3 306.454 0.367 20 0 DCADHO O=C(CN1CCNCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638308086 417415199 /nfs/dbraw/zinc/41/51/99/417415199.db2.gz GGWIQZWFUSJLCK-ZBFHGGJFSA-N 1 3 306.454 0.367 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000638348219 417430136 /nfs/dbraw/zinc/43/01/36/417430136.db2.gz FHVNYRMKCIILCZ-CQPIRRRNSA-N 1 3 321.396 0.846 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196418 417372091 /nfs/dbraw/zinc/37/20/91/417372091.db2.gz VRSZFJKCXJREHL-OAHLLOKOSA-N 1 3 304.438 0.786 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638201546 417374330 /nfs/dbraw/zinc/37/43/30/417374330.db2.gz MNOPKLCHBCBGQQ-ULQDDVLXSA-N 1 3 316.449 0.656 20 0 DCADHO COCCOCC[N@H+](C)CCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000638207523 417376522 /nfs/dbraw/zinc/37/65/22/417376522.db2.gz ZDTNBMQZEBNLOL-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000638207523 417376526 /nfs/dbraw/zinc/37/65/26/417376526.db2.gz ZDTNBMQZEBNLOL-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638570964 417490922 /nfs/dbraw/zinc/49/09/22/417490922.db2.gz JSSSDPWSMCMFGB-INIZCTEOSA-N 1 3 305.422 0.856 20 0 DCADHO [NH3+][C@H]1CC=C(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000638407727 417447371 /nfs/dbraw/zinc/44/73/71/417447371.db2.gz WJOOEPMECIBGFU-DLBZAZTESA-N 1 3 315.417 0.917 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000638427316 417452555 /nfs/dbraw/zinc/45/25/55/417452555.db2.gz ZFHKKQWHYMPVMN-YCPHGPKFSA-N 1 3 311.426 0.123 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507289 417477713 /nfs/dbraw/zinc/47/77/13/417477713.db2.gz CHNZTZNZHJOSEE-SFDCBXKLSA-N 1 3 307.438 0.920 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638512096 417478991 /nfs/dbraw/zinc/47/89/91/417478991.db2.gz ILMKJBFMJJLJTK-HOTGVXAUSA-N 1 3 316.449 0.847 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000638526164 417482425 /nfs/dbraw/zinc/48/24/25/417482425.db2.gz GDELPAWIJJVDDE-CYBMUJFWSA-N 1 3 318.421 0.916 20 0 DCADHO O=C(CNC[C@H]1CCCO1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638669867 417531276 /nfs/dbraw/zinc/53/12/76/417531276.db2.gz WWWXYEDXSPUKPJ-CQSZACIVSA-N 1 3 305.378 0.876 20 0 DCADHO C[C@@H]1CN(CCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000530242129 417555822 /nfs/dbraw/zinc/55/58/22/417555822.db2.gz MLUPXVKEXWYRJD-NVXWUHKLSA-N 1 3 311.470 0.798 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576396981 417604620 /nfs/dbraw/zinc/60/46/20/417604620.db2.gz QBJDGUDNQVKCNK-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCOC1CCOCC1 ZINC000531237656 417609659 /nfs/dbraw/zinc/60/96/59/417609659.db2.gz ISGCFHPVZDQICI-UHFFFAOYSA-N 1 3 315.458 0.524 20 0 DCADHO [NH3+][C@@H](CCNC(=O)CNC[C@@H]1CCCO1)Cc1ccccc1 ZINC000638873749 417573810 /nfs/dbraw/zinc/57/38/10/417573810.db2.gz KXJGPSUISWMTOQ-HOTGVXAUSA-N 1 3 305.422 0.831 20 0 DCADHO CN1C[C@@H](NC[C@@H](O)C[N@H+](C)Cc2ccccc2)CCC1=O ZINC000644571512 417621079 /nfs/dbraw/zinc/62/10/79/417621079.db2.gz AVABBGNHMIJDKQ-JKSUJKDBSA-N 1 3 305.422 0.690 20 0 DCADHO CN1C[C@@H](NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCC1=O ZINC000644571512 417621084 /nfs/dbraw/zinc/62/10/84/417621084.db2.gz AVABBGNHMIJDKQ-JKSUJKDBSA-N 1 3 305.422 0.690 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(N)nc1N ZINC000639171785 417634682 /nfs/dbraw/zinc/63/46/82/417634682.db2.gz ZWTGQIRLTJGNRW-CQSZACIVSA-N 1 3 321.473 0.150 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(N)nc1N ZINC000639171785 417634684 /nfs/dbraw/zinc/63/46/84/417634684.db2.gz ZWTGQIRLTJGNRW-CQSZACIVSA-N 1 3 321.473 0.150 20 0 DCADHO CO[C@]1(CNCC(=O)NCC[NH+]2CCCCCC2)CCOC1 ZINC000639207611 417638339 /nfs/dbraw/zinc/63/83/39/417638339.db2.gz ZXWYBEPJRBMRNL-INIZCTEOSA-N 1 3 313.442 0.374 20 0 DCADHO CC(C)[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)N1CCN(C)CC1 ZINC000457595192 417709132 /nfs/dbraw/zinc/70/91/32/417709132.db2.gz AJCIKQFIHOKAIA-LSDHHAIUSA-N 1 3 313.490 0.508 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000580566689 417714845 /nfs/dbraw/zinc/71/48/45/417714845.db2.gz BCHLSKVYFNVWNA-WBVHZDCISA-N 1 3 313.486 0.732 20 0 DCADHO COCCN(C)C[C@H](O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000580566689 417714851 /nfs/dbraw/zinc/71/48/51/417714851.db2.gz BCHLSKVYFNVWNA-WBVHZDCISA-N 1 3 313.486 0.732 20 0 DCADHO CC[N@H+](CCNC(=O)N[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000458198694 417730350 /nfs/dbraw/zinc/73/03/50/417730350.db2.gz PMPRHJNOFMCWCU-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000458198694 417730353 /nfs/dbraw/zinc/73/03/53/417730353.db2.gz PMPRHJNOFMCWCU-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@H+](CCNC(=O)N[C@H]1CCCN(CCCO)C1)C(C)C ZINC000458196994 417730773 /nfs/dbraw/zinc/73/07/73/417730773.db2.gz FIRJEQFYHPIGLQ-HNNXBMFYSA-N 1 3 314.474 0.863 20 0 DCADHO CC[N@@H+](CCNC(=O)N[C@H]1CCCN(CCCO)C1)C(C)C ZINC000458196994 417730777 /nfs/dbraw/zinc/73/07/77/417730777.db2.gz FIRJEQFYHPIGLQ-HNNXBMFYSA-N 1 3 314.474 0.863 20 0 DCADHO C[NH+]1CCC2(CCN(CCn3nc4ccccn4c3=O)C2)CC1 ZINC000639757542 417736505 /nfs/dbraw/zinc/73/65/05/417736505.db2.gz HRPNRSICLHHYGE-UHFFFAOYSA-N 1 3 315.421 0.914 20 0 DCADHO CC(C)(CNC(=O)COCC[NH3+])N1CCc2ccccc2C1 ZINC000645403949 417739306 /nfs/dbraw/zinc/73/93/06/417739306.db2.gz PIRNYVQKLCOYTK-UHFFFAOYSA-N 1 3 305.422 0.915 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000662622452 417824362 /nfs/dbraw/zinc/82/43/62/417824362.db2.gz SAHBGJNNCILGBD-GFCCVEGCSA-N 1 3 320.441 0.805 20 0 DCADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000662632478 417827527 /nfs/dbraw/zinc/82/75/27/417827527.db2.gz QLPYQDUTXPVPPE-MRXNPFEDSA-N 1 3 306.454 0.556 20 0 DCADHO C[NH+]1CCC(N2CC[C@H](NC(=O)c3coc(CN)c3)C2)CC1 ZINC000645977553 417838184 /nfs/dbraw/zinc/83/81/84/417838184.db2.gz HBCYHBQKSXOMOB-ZDUSSCGKSA-N 1 3 306.410 0.637 20 0 DCADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3coc(CN)c3)C2)CC1 ZINC000645977553 417838191 /nfs/dbraw/zinc/83/81/91/417838191.db2.gz HBCYHBQKSXOMOB-ZDUSSCGKSA-N 1 3 306.410 0.637 20 0 DCADHO CN1CCC([N@H+]2CC[C@H](NC(=O)c3coc(CN)c3)C2)CC1 ZINC000645977553 417838197 /nfs/dbraw/zinc/83/81/97/417838197.db2.gz HBCYHBQKSXOMOB-ZDUSSCGKSA-N 1 3 306.410 0.637 20 0 DCADHO C[C@@H]1CC[C@@H](O)CN1CCOCC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000646144469 417790287 /nfs/dbraw/zinc/79/02/87/417790287.db2.gz VKUNDTOBSDZYQG-GEEKYZPCSA-N 1 3 300.443 0.693 20 0 DCADHO C[C@@H]1CC[C@@H](O)CN1CCOCC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000646144469 417790288 /nfs/dbraw/zinc/79/02/88/417790288.db2.gz VKUNDTOBSDZYQG-GEEKYZPCSA-N 1 3 300.443 0.693 20 0 DCADHO C[C@@H]1CC[C@@H](O)C[N@H+]1CCOCCN1C[C@@H](O)CC[C@@H]1C ZINC000646144469 417790290 /nfs/dbraw/zinc/79/02/90/417790290.db2.gz VKUNDTOBSDZYQG-GEEKYZPCSA-N 1 3 300.443 0.693 20 0 DCADHO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCOCCN1C[C@@H](O)CC[C@@H]1C ZINC000646144469 417790292 /nfs/dbraw/zinc/79/02/92/417790292.db2.gz VKUNDTOBSDZYQG-GEEKYZPCSA-N 1 3 300.443 0.693 20 0 DCADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1(C)C ZINC000645803155 417797411 /nfs/dbraw/zinc/79/74/11/417797411.db2.gz BINCDFNOCDNNMP-CJNGLKHVSA-N 1 3 323.441 0.916 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000646189709 417802384 /nfs/dbraw/zinc/80/23/84/417802384.db2.gz LAZFBDWNCRAVEW-ILXRZTDVSA-N 1 3 313.490 0.685 20 0 DCADHO CCO[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@H]1C[NH3+] ZINC000662581820 417813691 /nfs/dbraw/zinc/81/36/91/417813691.db2.gz KCTVJSCHTAVKBS-VXGBXAGGSA-N 1 3 309.435 0.830 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662602489 417818671 /nfs/dbraw/zinc/81/86/71/417818671.db2.gz QZPQRSSAVZWPPE-HOTGVXAUSA-N 1 3 309.454 0.993 20 0 DCADHO C[C@@H]1CCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662746821 417883251 /nfs/dbraw/zinc/88/32/51/417883251.db2.gz SJEXGERKMIRPJV-KGLIPLIRSA-N 1 3 320.441 0.664 20 0 DCADHO CNS(=O)(=O)CCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348471 417887199 /nfs/dbraw/zinc/88/71/99/417887199.db2.gz FIRXFLFHVXCFOJ-MELADBBJSA-N 1 3 319.471 0.144 20 0 DCADHO CCN1CCN(CCCNC(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662755979 417892828 /nfs/dbraw/zinc/89/28/28/417892828.db2.gz FWGPYTXFTZRWHR-UHFFFAOYSA-N 1 3 308.470 0.792 20 0 DCADHO [NH3+]C1(CC(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 ZINC000662756726 417893286 /nfs/dbraw/zinc/89/32/86/417893286.db2.gz JXEZRSXAWBALBS-UHFFFAOYSA-N 1 3 317.437 0.591 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662674647 417846072 /nfs/dbraw/zinc/84/60/72/417846072.db2.gz DVEAOZZBXJUKFW-JKSUJKDBSA-N 1 3 321.421 0.607 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005890 417976037 /nfs/dbraw/zinc/97/60/37/417976037.db2.gz ZKECPTVVWGDIRM-HOCLYGCPSA-N 1 3 324.469 0.324 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005890 417976041 /nfs/dbraw/zinc/97/60/41/417976041.db2.gz ZKECPTVVWGDIRM-HOCLYGCPSA-N 1 3 324.469 0.324 20 0 DCADHO C[C@H](C[NH3+])C(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663016763 417976962 /nfs/dbraw/zinc/97/69/62/417976962.db2.gz FPABWKTTWJYSDL-CHWSQXEVSA-N 1 3 320.441 0.120 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000658501565 417977410 /nfs/dbraw/zinc/97/74/10/417977410.db2.gz UWDAAHSSQKTHCB-OAHLLOKOSA-N 1 3 322.453 0.093 20 0 DCADHO CCN1CCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631646801 417912388 /nfs/dbraw/zinc/91/23/88/417912388.db2.gz CDNNDJCIGFCKFS-AWEZNQCLSA-N 1 3 303.472 0.876 20 0 DCADHO CCCN(CCN(C)C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662824975 417919066 /nfs/dbraw/zinc/91/90/66/417919066.db2.gz ZNVSTHHWCMWBSD-UHFFFAOYSA-N 1 3 308.430 0.616 20 0 DCADHO CC(C)C[C@H]([NH2+][C@@H](C)Cn1cncn1)C(=O)NCCN(C)C ZINC000657955393 417921442 /nfs/dbraw/zinc/92/14/42/417921442.db2.gz KYTVRHHKCXJHFX-KBPBESRZSA-N 1 3 310.446 0.349 20 0 DCADHO C[C@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC[NH2+]C1 ZINC000662858273 417926812 /nfs/dbraw/zinc/92/68/12/417926812.db2.gz FXICHIMOYADDFL-AEFFLSMTSA-N 1 3 317.433 0.869 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCO1 ZINC000646843130 417928261 /nfs/dbraw/zinc/92/82/61/417928261.db2.gz HDFBJCBCZDMNCW-CGOYYEKTSA-N 1 3 311.426 0.094 20 0 DCADHO NC1(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCC1 ZINC000662860909 417930797 /nfs/dbraw/zinc/93/07/97/417930797.db2.gz VJAYIWOVSNHLJE-HNNXBMFYSA-N 1 3 303.406 0.751 20 0 DCADHO NC1(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCC1 ZINC000662860909 417930801 /nfs/dbraw/zinc/93/08/01/417930801.db2.gz VJAYIWOVSNHLJE-HNNXBMFYSA-N 1 3 303.406 0.751 20 0 DCADHO CC[NH+]1CCC(NC(=O)Cn2cc([C@](C)(N)CC)nn2)CC1 ZINC000640866842 417932629 /nfs/dbraw/zinc/93/26/29/417932629.db2.gz KONCIZDDNXHLLN-OAHLLOKOSA-N 1 3 308.430 0.463 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)CCN1C ZINC000652671591 417941705 /nfs/dbraw/zinc/94/17/05/417941705.db2.gz IKQUPMMLAPPNKN-GXTWGEPZSA-N 1 3 310.442 0.091 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000652704384 417950578 /nfs/dbraw/zinc/95/05/78/417950578.db2.gz KPLNTDOPJTZIRD-UHFFFAOYSA-N 1 3 322.453 0.357 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000662929173 417954417 /nfs/dbraw/zinc/95/44/17/417954417.db2.gz AVEWLGUQEJPFAS-CYBMUJFWSA-N 1 3 310.442 0.269 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713729 417954875 /nfs/dbraw/zinc/95/48/75/417954875.db2.gz WBFUFLMTCCSBJS-UHFFFAOYSA-N 1 3 312.458 0.278 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000652713718 417954932 /nfs/dbraw/zinc/95/49/32/417954932.db2.gz VUCTTYLGRJRJKF-AWEZNQCLSA-N 1 3 322.453 0.318 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652725637 417956480 /nfs/dbraw/zinc/95/64/80/417956480.db2.gz OQPFXCHTXZZMGL-UHFFFAOYSA-N 1 3 324.469 0.437 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652735790 417961491 /nfs/dbraw/zinc/96/14/91/417961491.db2.gz UBARMFSHQQSVBR-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058611 417980223 /nfs/dbraw/zinc/98/02/23/417980223.db2.gz UVSVITJXDQOISJ-UBHSHLNASA-N 1 3 301.406 0.596 20 0 DCADHO CC(C)[NH+](CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(C)C ZINC000663420232 418017174 /nfs/dbraw/zinc/01/71/74/418017174.db2.gz MENLLROAAXWRFH-KBPBESRZSA-N 1 3 300.447 0.422 20 0 DCADHO CN(C)CCOc1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000647539230 418020916 /nfs/dbraw/zinc/02/09/16/418020916.db2.gz IOPSXRMMBPFYML-MRXNPFEDSA-N 1 3 306.454 0.702 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653108471 418028230 /nfs/dbraw/zinc/02/82/30/418028230.db2.gz YTBWIZNPGPIRFI-GUYCJALGSA-N 1 3 319.405 0.802 20 0 DCADHO CCN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCN(CC)C1 ZINC000658830121 418028728 /nfs/dbraw/zinc/02/87/28/418028728.db2.gz QCHBXWYUOFTIMB-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CCOC3(CNC3)C2)cc1 ZINC000663513832 418028920 /nfs/dbraw/zinc/02/89/20/418028920.db2.gz QIYAHUGBEJXNPR-UHFFFAOYSA-N 1 3 305.422 0.801 20 0 DCADHO Cc1ccc([C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)N(C)C)cc1 ZINC000653112348 418029274 /nfs/dbraw/zinc/02/92/74/418029274.db2.gz WAOHJROGNHHCJQ-HZPDHXFCSA-N 1 3 306.454 0.993 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)c2ccccc2O1 ZINC000653124429 418032077 /nfs/dbraw/zinc/03/20/77/418032077.db2.gz YNUMEICVERROAA-KGLIPLIRSA-N 1 3 320.437 0.621 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653124851 418033647 /nfs/dbraw/zinc/03/36/47/418033647.db2.gz IZNOHEPMMJDMSN-INIZCTEOSA-N 1 3 310.486 0.910 20 0 DCADHO Cc1cc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)ccc1CN(C)C ZINC000663608126 418036843 /nfs/dbraw/zinc/03/68/43/418036843.db2.gz CUERJOJBJIRODT-KRWDZBQOSA-N 1 3 318.421 0.863 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663612155 418037343 /nfs/dbraw/zinc/03/73/43/418037343.db2.gz GIMQOLYGDGWTRE-KRWDZBQOSA-N 1 3 318.421 0.863 20 0 DCADHO CC1(OCC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CNC1 ZINC000653184840 418041817 /nfs/dbraw/zinc/04/18/17/418041817.db2.gz SQLBEKYQAWAXJQ-IHRRRGAJSA-N 1 3 311.426 0.110 20 0 DCADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000658539640 417985181 /nfs/dbraw/zinc/98/51/81/417985181.db2.gz FYKKVPPAMWMOID-HNNXBMFYSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(=O)n(C)c1 ZINC000664313744 418111503 /nfs/dbraw/zinc/11/15/03/418111503.db2.gz CKEPJMOJIIJFNX-ZDUSSCGKSA-N 1 3 323.441 0.779 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(=O)n(C)c1 ZINC000664313744 418111507 /nfs/dbraw/zinc/11/15/07/418111507.db2.gz CKEPJMOJIIJFNX-ZDUSSCGKSA-N 1 3 323.441 0.779 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000659538105 418114388 /nfs/dbraw/zinc/11/43/88/418114388.db2.gz VQWOOFLCKNWRRT-DZGCQCFKSA-N 1 3 310.442 0.681 20 0 DCADHO C[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)[C@@H](N)c1ccccc1 ZINC000647769852 418053448 /nfs/dbraw/zinc/05/34/48/418053448.db2.gz MLBCVULKCHRAIY-GOEBONIOSA-N 1 3 304.438 0.686 20 0 DCADHO CCNC(=O)N1CC[C@H](NC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000647909297 418073920 /nfs/dbraw/zinc/07/39/20/418073920.db2.gz AFOFGYBGFXOQGK-AWEZNQCLSA-N 1 3 312.458 0.615 20 0 DCADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3CNCCO3)cc21 ZINC000659323577 418081931 /nfs/dbraw/zinc/08/19/31/418081931.db2.gz XLYLNVXUQSEVMA-HUUCEWRRSA-N 1 3 303.406 0.783 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CCOC1 ZINC000664109196 418086488 /nfs/dbraw/zinc/08/64/88/418086488.db2.gz MRMCTJYYMMTGGM-HOCLYGCPSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CCOC1 ZINC000664109196 418086492 /nfs/dbraw/zinc/08/64/92/418086492.db2.gz MRMCTJYYMMTGGM-HOCLYGCPSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)CO ZINC000664198467 418097417 /nfs/dbraw/zinc/09/74/17/418097417.db2.gz JIRLYOIUYDQVGN-HZSPNIEDSA-N 1 3 302.463 0.575 20 0 DCADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)CO ZINC000664198467 418097419 /nfs/dbraw/zinc/09/74/19/418097419.db2.gz JIRLYOIUYDQVGN-HZSPNIEDSA-N 1 3 302.463 0.575 20 0 DCADHO CC(C)[C@H]1CN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CCN1 ZINC000648121691 418101896 /nfs/dbraw/zinc/10/18/96/418101896.db2.gz KSXHSUPQDDSETL-QWHCGFSZSA-N 1 3 306.414 0.273 20 0 DCADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493198 418104134 /nfs/dbraw/zinc/10/41/34/418104134.db2.gz CERFHMSLTSUCJU-NSHDSACASA-N 1 3 324.429 0.561 20 0 DCADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659493198 418104138 /nfs/dbraw/zinc/10/41/38/418104138.db2.gz CERFHMSLTSUCJU-NSHDSACASA-N 1 3 324.429 0.561 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCCO1 ZINC000659487016 418104436 /nfs/dbraw/zinc/10/44/36/418104436.db2.gz MXRKQDUAWGTGCM-MGPQQGTHSA-N 1 3 316.421 0.568 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](F)[C@H](N)C2)CCCO1 ZINC000659487016 418104440 /nfs/dbraw/zinc/10/44/40/418104440.db2.gz MXRKQDUAWGTGCM-MGPQQGTHSA-N 1 3 316.421 0.568 20 0 DCADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648151662 418107119 /nfs/dbraw/zinc/10/71/19/418107119.db2.gz CGTNCMQYXDTPEL-CHWSQXEVSA-N 1 3 319.396 0.800 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000659601369 418123223 /nfs/dbraw/zinc/12/32/23/418123223.db2.gz YTDQPAVSGXSCJM-ZBFHGGJFSA-N 1 3 323.485 0.678 20 0 DCADHO CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](CN)C1 ZINC000659601369 418123226 /nfs/dbraw/zinc/12/32/26/418123226.db2.gz YTDQPAVSGXSCJM-ZBFHGGJFSA-N 1 3 323.485 0.678 20 0 DCADHO CC(C)(C[NH+]1CCCC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629978 418131613 /nfs/dbraw/zinc/13/16/13/418131613.db2.gz JZFNCPIHTKYJLV-UHFFFAOYSA-N 1 3 322.413 0.315 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654388902 418138971 /nfs/dbraw/zinc/13/89/71/418138971.db2.gz XKIZMJFKMIBMEC-JKSUJKDBSA-N 1 3 322.453 0.321 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000654731775 418181081 /nfs/dbraw/zinc/18/10/81/418181081.db2.gz MHZDJWXKFIQWGB-YCPHGPKFSA-N 1 3 310.442 0.369 20 0 DCADHO CN1CC[C@](O)(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000654731775 418181083 /nfs/dbraw/zinc/18/10/83/418181083.db2.gz MHZDJWXKFIQWGB-YCPHGPKFSA-N 1 3 310.442 0.369 20 0 DCADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654433737 418145432 /nfs/dbraw/zinc/14/54/32/418145432.db2.gz WLRKMCJZOIKVSS-YHUYYLMFSA-N 1 3 324.469 0.710 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000664731288 418150068 /nfs/dbraw/zinc/15/00/68/418150068.db2.gz FVAPOKXPTQXSNI-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000664731288 418150070 /nfs/dbraw/zinc/15/00/70/418150070.db2.gz FVAPOKXPTQXSNI-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)CCC1 ZINC000659722142 418162224 /nfs/dbraw/zinc/16/22/24/418162224.db2.gz FJMUHJRQSLEFEK-ZDUSSCGKSA-N 1 3 322.453 0.507 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659721819 418162428 /nfs/dbraw/zinc/16/24/28/418162428.db2.gz IRGXBMZDFGTKCQ-JHJVBQTASA-N 1 3 310.442 0.090 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659722782 418162458 /nfs/dbraw/zinc/16/24/58/418162458.db2.gz PCFADCMUZKQRBI-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000659726024 418164653 /nfs/dbraw/zinc/16/46/53/418164653.db2.gz HHQVORRBVCEPES-RBSFLKMASA-N 1 3 324.469 0.609 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000659725994 418165178 /nfs/dbraw/zinc/16/51/78/418165178.db2.gz GKOXWBKHPTYMPF-CQSZACIVSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659736012 418169461 /nfs/dbraw/zinc/16/94/61/418169461.db2.gz YQFOLNFGNKNOOU-OKILXGFUSA-N 1 3 324.469 0.753 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CCCNCC1 ZINC000659737465 418171121 /nfs/dbraw/zinc/17/11/21/418171121.db2.gz UODHQYAARLMDLW-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CCCNCC1 ZINC000659737465 418171124 /nfs/dbraw/zinc/17/11/24/418171124.db2.gz UODHQYAARLMDLW-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000659740698 418172406 /nfs/dbraw/zinc/17/24/06/418172406.db2.gz FJIRQZDDSBGFNR-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000659739242 418172529 /nfs/dbraw/zinc/17/25/29/418172529.db2.gz OMFSVUWVKJBDGO-ZIAGYGMSSA-N 1 3 312.458 0.419 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000659739717 418172788 /nfs/dbraw/zinc/17/27/88/418172788.db2.gz YKJMVGTTXMCYJL-RDBSUJKOSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000659746496 418174968 /nfs/dbraw/zinc/17/49/68/418174968.db2.gz MSBLAMYEIBZTFK-CQSZACIVSA-N 1 3 312.458 0.276 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000659750103 418176216 /nfs/dbraw/zinc/17/62/16/418176216.db2.gz MRRGSQUTTHOVFR-MJBXVCDLSA-N 1 3 310.442 0.184 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnccc3N)C2)CC1 ZINC000649334018 418240918 /nfs/dbraw/zinc/24/09/18/418240918.db2.gz BULAANQJWBXODO-GFCCVEGCSA-N 1 3 303.410 0.392 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnccc3N)C2)CC1 ZINC000649334018 418240919 /nfs/dbraw/zinc/24/09/19/418240919.db2.gz BULAANQJWBXODO-GFCCVEGCSA-N 1 3 303.410 0.392 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cnccc3N)C2)CC1 ZINC000649334018 418240921 /nfs/dbraw/zinc/24/09/21/418240921.db2.gz BULAANQJWBXODO-GFCCVEGCSA-N 1 3 303.410 0.392 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000649352623 418246976 /nfs/dbraw/zinc/24/69/76/418246976.db2.gz ALPXLVSWUWJCSR-WBVHZDCISA-N 1 3 308.470 0.615 20 0 DCADHO CN(C(=O)CN1CC(C)(C)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000654773895 418186496 /nfs/dbraw/zinc/18/64/96/418186496.db2.gz LWSLMVYGFNXBTD-MRXNPFEDSA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000660366232 418253140 /nfs/dbraw/zinc/25/31/40/418253140.db2.gz BVNUNOAFRDKEDF-GJZGRUSLSA-N 1 3 301.475 0.465 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000660366232 418253141 /nfs/dbraw/zinc/25/31/41/418253141.db2.gz BVNUNOAFRDKEDF-GJZGRUSLSA-N 1 3 301.475 0.465 20 0 DCADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274673 418192346 /nfs/dbraw/zinc/19/23/46/418192346.db2.gz VQWYUASNLSTLPV-FIDHJVLJSA-N 1 3 323.481 0.972 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649076685 418194306 /nfs/dbraw/zinc/19/43/06/418194306.db2.gz AYWZNNJFPMFGGV-KGLIPLIRSA-N 1 3 310.442 0.439 20 0 DCADHO COC1CC(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000665377875 418202918 /nfs/dbraw/zinc/20/29/18/418202918.db2.gz CJYFMQGCSKLGNY-UHFFFAOYSA-N 1 3 314.474 0.936 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CO)CC1 ZINC000665637983 418228440 /nfs/dbraw/zinc/22/84/40/418228440.db2.gz VJJVIBAUIHZJHV-AWEZNQCLSA-N 1 3 314.474 0.672 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CO)CC1 ZINC000665637983 418228443 /nfs/dbraw/zinc/22/84/43/418228443.db2.gz VJJVIBAUIHZJHV-AWEZNQCLSA-N 1 3 314.474 0.672 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CO)C1 ZINC000665636964 418229246 /nfs/dbraw/zinc/22/92/46/418229246.db2.gz OZWQBKXXFSRXIP-LSDHHAIUSA-N 1 3 314.474 0.672 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CO)C1 ZINC000665636964 418229248 /nfs/dbraw/zinc/22/92/48/418229248.db2.gz OZWQBKXXFSRXIP-LSDHHAIUSA-N 1 3 314.474 0.672 20 0 DCADHO COCCN1CCC(NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649304767 418230473 /nfs/dbraw/zinc/23/04/73/418230473.db2.gz FZLXVGIZBNWMJS-GFCCVEGCSA-N 1 3 305.369 0.458 20 0 DCADHO CN1CCN(CC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1(C)C ZINC000655764189 418291593 /nfs/dbraw/zinc/29/15/93/418291593.db2.gz XFFZDNGEXFKXSZ-QGZVFWFLSA-N 1 3 324.513 0.855 20 0 DCADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000655973950 418310101 /nfs/dbraw/zinc/31/01/01/418310101.db2.gz KXSVOXGVWKZQFW-XQLPTFJDSA-N 1 3 310.442 0.761 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656022411 418318754 /nfs/dbraw/zinc/31/87/54/418318754.db2.gz ZCBGWFVCYQKGHR-CBBWQLFWSA-N 1 3 322.453 0.506 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022953 418319370 /nfs/dbraw/zinc/31/93/70/418319370.db2.gz PMIBXRPIKDONHS-KFWWJZLASA-N 1 3 324.469 0.609 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656023157 418319513 /nfs/dbraw/zinc/31/95/13/418319513.db2.gz XCPXPMQSEOSYTL-HZSPNIEDSA-N 1 3 310.442 0.219 20 0 DCADHO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656029296 418320934 /nfs/dbraw/zinc/32/09/34/418320934.db2.gz XWGFOPOEMONXGB-JJRVBVJISA-N 1 3 322.453 0.317 20 0 DCADHO C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656283480 418340300 /nfs/dbraw/zinc/34/03/00/418340300.db2.gz BBAQSHQFJSNXAZ-CABCVRRESA-N 1 3 322.453 0.330 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656295567 418340926 /nfs/dbraw/zinc/34/09/26/418340926.db2.gz KTYYYXHPAWWZSF-KFWWJZLASA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656303649 418342699 /nfs/dbraw/zinc/34/26/99/418342699.db2.gz LNENLYLUPDXTSW-QLFBSQMISA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656344687 418348448 /nfs/dbraw/zinc/34/84/48/418348448.db2.gz XTJFYWNZBMEIDL-MCIONIFRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000651194040 418354121 /nfs/dbraw/zinc/35/41/21/418354121.db2.gz QXEGIUSOIHANCH-OAHLLOKOSA-N 1 3 302.463 0.576 20 0 DCADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000651194040 418354124 /nfs/dbraw/zinc/35/41/24/418354124.db2.gz QXEGIUSOIHANCH-OAHLLOKOSA-N 1 3 302.463 0.576 20 0 DCADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@H]3CC[NH2+][C@@H](C)C3)C[C@H]21 ZINC000656791964 418375895 /nfs/dbraw/zinc/37/58/95/418375895.db2.gz MVHOEMGZJLTTCT-YHQUGGNUSA-N 1 3 302.440 0.118 20 0 DCADHO C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N(C)C1CC1 ZINC000662441197 418410244 /nfs/dbraw/zinc/41/02/44/418410244.db2.gz CEBFXGTZAXGGOF-NSHDSACASA-N 1 3 306.414 0.415 20 0 DCADHO CCCC[NH+]1CCC(NC(=O)NCCN(CC)CCO)CC1 ZINC000187243532 261122582 /nfs/dbraw/zinc/12/25/82/261122582.db2.gz ZDFOQLOQUZKUEE-UHFFFAOYSA-N 1 3 314.474 0.864 20 0 DCADHO CC(C)C[C@H](CN(C)C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354665141 261253480 /nfs/dbraw/zinc/25/34/80/261253480.db2.gz FAAHMZPTRJMVCG-KGLIPLIRSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354693347 261260987 /nfs/dbraw/zinc/26/09/87/261260987.db2.gz YJDLLOWZOBTTLJ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354693347 261260988 /nfs/dbraw/zinc/26/09/88/261260988.db2.gz YJDLLOWZOBTTLJ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354722200 261263225 /nfs/dbraw/zinc/26/32/25/261263225.db2.gz ZGEIIOYIHDQYPW-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000355297869 261327295 /nfs/dbraw/zinc/32/72/95/261327295.db2.gz LFQUWDZFCSTOEG-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000362764145 262069501 /nfs/dbraw/zinc/06/95/01/262069501.db2.gz ZGQQUPRZBPZRAZ-UKRRQHHQSA-N 1 3 324.469 0.101 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000362764145 262069504 /nfs/dbraw/zinc/06/95/04/262069504.db2.gz ZGQQUPRZBPZRAZ-UKRRQHHQSA-N 1 3 324.469 0.101 20 0 DCADHO COCCNCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416797319 262240469 /nfs/dbraw/zinc/24/04/69/262240469.db2.gz YEQWXMTUYKZYIK-UHFFFAOYSA-N 1 3 300.447 0.831 20 0 DCADHO CCc1ccc([C@H](CNC(=O)N(CC[NH3+])CCO)N(C)C)cc1 ZINC000416845190 262241090 /nfs/dbraw/zinc/24/10/90/262241090.db2.gz RFNDYEIGFINBOV-INIZCTEOSA-N 1 3 322.453 0.814 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000417524031 262254559 /nfs/dbraw/zinc/25/45/59/262254559.db2.gz IVLBHAYIHLHUTJ-OAHLLOKOSA-N 1 3 320.437 0.831 20 0 DCADHO CCCN(C(=O)NCCN(C)CCCOC)[C@@H]1CC[NH2+]C1 ZINC000417748435 262260193 /nfs/dbraw/zinc/26/01/93/262260193.db2.gz IGCIPEOMWKUENQ-CQSZACIVSA-N 1 3 300.447 0.738 20 0 DCADHO COCCCN(C)CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417752913 262260593 /nfs/dbraw/zinc/26/05/93/262260593.db2.gz NMOYHRUGIKVUEL-ZIAGYGMSSA-N 1 3 300.447 0.771 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417959758 262266254 /nfs/dbraw/zinc/26/62/54/262266254.db2.gz WVQRUEQHRSXDPH-CYBMUJFWSA-N 1 3 323.441 0.819 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418075869 262269274 /nfs/dbraw/zinc/26/92/74/262269274.db2.gz ZUDCRCYMMWKMRI-UHFFFAOYSA-N 1 3 312.458 0.740 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NCC[C@@H]2CC[NH2+]C2)CCCO1 ZINC000418115995 262270817 /nfs/dbraw/zinc/27/08/17/262270817.db2.gz PMRXKCQUPSUNOU-CABCVRRESA-N 1 3 312.458 0.786 20 0 DCADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000418405307 262276398 /nfs/dbraw/zinc/27/63/98/262276398.db2.gz KXMVPBJBAWTMKJ-CQSZACIVSA-N 1 3 313.490 0.685 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418414499 262277074 /nfs/dbraw/zinc/27/70/74/262277074.db2.gz ZSHCPBBDVZLXOB-NRXISQOPSA-N 1 3 312.458 0.648 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000418477857 262278719 /nfs/dbraw/zinc/27/87/19/262278719.db2.gz YPXXPGQFJIQQME-OAHLLOKOSA-N 1 3 313.490 0.783 20 0 DCADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000418599378 262283966 /nfs/dbraw/zinc/28/39/66/262283966.db2.gz HPOZDYWVAWQPRT-INIZCTEOSA-N 1 3 324.469 0.688 20 0 DCADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1CCCC1 ZINC000418607208 262284022 /nfs/dbraw/zinc/28/40/22/262284022.db2.gz AMPPPPOGLUAXTL-GJZGRUSLSA-N 1 3 312.458 0.650 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000419017512 262305434 /nfs/dbraw/zinc/30/54/34/262305434.db2.gz AYAQKVSJSXWPGJ-QPSCCSFWSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419016903 262305445 /nfs/dbraw/zinc/30/54/45/262305445.db2.gz AHGCZVOCVKZMJU-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419084614 262307992 /nfs/dbraw/zinc/30/79/92/262307992.db2.gz YVSCVFWCSJYYFH-YOEHRIQHSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419097367 262309292 /nfs/dbraw/zinc/30/92/92/262309292.db2.gz DWUMQSLCHBYXDJ-HUUCEWRRSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000419129057 262311678 /nfs/dbraw/zinc/31/16/78/262311678.db2.gz AHETVBCPEDSIKX-KFWWJZLASA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000419130607 262311907 /nfs/dbraw/zinc/31/19/07/262311907.db2.gz BFSVUPXJHWATLW-AWEZNQCLSA-N 1 3 320.437 0.430 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)N1CCC(C)CC1 ZINC000419160962 262315361 /nfs/dbraw/zinc/31/53/61/262315361.db2.gz QYATUNLYYMFOBV-RRFJBIMHSA-N 1 3 324.469 0.480 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419167770 262315659 /nfs/dbraw/zinc/31/56/59/262315659.db2.gz JHZHLNZAUFFLDM-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000419175738 262316937 /nfs/dbraw/zinc/31/69/37/262316937.db2.gz XYLFDMQOLKAJCS-ZIAGYGMSSA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419175955 262317577 /nfs/dbraw/zinc/31/75/77/262317577.db2.gz YJSCWFJTDFPBKL-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419175955 262317578 /nfs/dbraw/zinc/31/75/78/262317578.db2.gz YJSCWFJTDFPBKL-UONOGXRCSA-N 1 3 310.442 0.173 20 0 DCADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)C(=O)NC1CC[NH2+]CC1 ZINC000419228778 262321481 /nfs/dbraw/zinc/32/14/81/262321481.db2.gz MSWVXMFUOBDRDB-HNNXBMFYSA-N 1 3 322.453 0.235 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000419404300 262330390 /nfs/dbraw/zinc/33/03/90/262330390.db2.gz FSGSWTZQWIMYQD-BBRMVZONSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419420702 262332640 /nfs/dbraw/zinc/33/26/40/262332640.db2.gz KGMQZAWVSBIPHC-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000419595682 262339441 /nfs/dbraw/zinc/33/94/41/262339441.db2.gz WXKUNMGHLFGSTN-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000419644963 262343877 /nfs/dbraw/zinc/34/38/77/262343877.db2.gz ONMSWBVVUMJZSC-HNNXBMFYSA-N 1 3 324.469 0.611 20 0 DCADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419693514 262345577 /nfs/dbraw/zinc/34/55/77/262345577.db2.gz JASBXGZVQSUHDB-STQMWFEESA-N 1 3 308.426 0.069 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419695680 262346295 /nfs/dbraw/zinc/34/62/95/262346295.db2.gz LIGSABLNNWTFND-RBSFLKMASA-N 1 3 324.469 0.419 20 0 DCADHO C[NH2+][C@@H](C)CNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419694971 262346457 /nfs/dbraw/zinc/34/64/57/262346457.db2.gz KBWIVABSPPKXIB-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419698558 262347552 /nfs/dbraw/zinc/34/75/52/262347552.db2.gz PUEDUBMIVCVQLH-UONOGXRCSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1CCC[C@@H](C)C1 ZINC000419875973 262351138 /nfs/dbraw/zinc/35/11/38/262351138.db2.gz WZMLCJYRWMPFIH-DYEKYZERSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000419926026 262353486 /nfs/dbraw/zinc/35/34/86/262353486.db2.gz AQTCSRWSYFJTBZ-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)C1CC1 ZINC000420071895 262359009 /nfs/dbraw/zinc/35/90/09/262359009.db2.gz YHNCDOGMWLOUFD-LSDHHAIUSA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420087151 262360287 /nfs/dbraw/zinc/36/02/87/262360287.db2.gz PKGNKEPWSBKOOM-KBPBESRZSA-N 1 3 310.442 0.221 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000420137999 262362831 /nfs/dbraw/zinc/36/28/31/262362831.db2.gz FFQIQWFYFLJTHF-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO c1ccc([C@@H](CN2CCOCC2)NCCN2CC[NH2+]CC2)cc1 ZINC000420369993 262372163 /nfs/dbraw/zinc/37/21/63/262372163.db2.gz JHHJPBNETXEFDW-GOSISDBHSA-N 1 3 318.465 0.555 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000422117873 262396720 /nfs/dbraw/zinc/39/67/20/262396720.db2.gz PJMUVIHBLGCBQJ-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)CCOc1ccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000423342105 262438964 /nfs/dbraw/zinc/43/89/64/262438964.db2.gz VBDNIMRZDABHNM-PBHICJAKSA-N 1 3 303.406 0.995 20 0 DCADHO O=C(NCCNc1ccncc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000356233436 271037388 /nfs/dbraw/zinc/03/73/88/271037388.db2.gz YBHKBPBHDCREEF-ZDUSSCGKSA-N 1 3 303.410 0.699 20 0 DCADHO O=C(NCCNc1ccncc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000356233436 271037391 /nfs/dbraw/zinc/03/73/91/271037391.db2.gz YBHKBPBHDCREEF-ZDUSSCGKSA-N 1 3 303.410 0.699 20 0 DCADHO C[C@H](CNC(=O)[C@@H](C)[C@H](C)C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000358641054 271059588 /nfs/dbraw/zinc/05/95/88/271059588.db2.gz ZJGCKSQOYDAISP-CRWXNKLISA-N 1 3 314.474 0.391 20 0 DCADHO C[C@H](CNC(=O)[C@@H](C)[C@H](C)C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000358641054 271059593 /nfs/dbraw/zinc/05/95/93/271059593.db2.gz ZJGCKSQOYDAISP-CRWXNKLISA-N 1 3 314.474 0.391 20 0 DCADHO CCN1CCC(NC(=O)CN2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000359036871 271093169 /nfs/dbraw/zinc/09/31/69/271093169.db2.gz FCZKBJUEUKNMJT-HUUCEWRRSA-N 1 3 312.458 0.025 20 0 DCADHO CS(=O)(=O)NC[C@@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000359221730 271106936 /nfs/dbraw/zinc/10/69/36/271106936.db2.gz XQIFKYNQNWCFKL-AWEZNQCLSA-N 1 3 303.472 0.780 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000360897687 271163661 /nfs/dbraw/zinc/16/36/61/271163661.db2.gz NNXQQBAHRFAMBD-OAGGEKHMSA-N 1 3 310.486 0.859 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418439107 271244348 /nfs/dbraw/zinc/24/43/48/271244348.db2.gz JPQZVAUJCJZBEB-GJZGRUSLSA-N 1 3 314.474 0.752 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC[C@H]1[NH3+] ZINC000418843136 271258112 /nfs/dbraw/zinc/25/81/12/271258112.db2.gz RKCXNZCMYDXNIL-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCCC[NH2+]C1CC1)N1CCCCC1 ZINC000418846041 271259130 /nfs/dbraw/zinc/25/91/30/271259130.db2.gz XBUZTCNHGNPKOA-UHFFFAOYSA-N 1 3 324.469 0.625 20 0 DCADHO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419028431 271265822 /nfs/dbraw/zinc/26/58/22/271265822.db2.gz QJIXPBYHUCAULU-MGPQQGTHSA-N 1 3 312.458 0.195 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000419028041 271265877 /nfs/dbraw/zinc/26/58/77/271265877.db2.gz PSPIPLUTAHOHAK-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000419028039 271266440 /nfs/dbraw/zinc/26/64/40/271266440.db2.gz PSPIPLUTAHOHAK-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419186337 271277119 /nfs/dbraw/zinc/27/71/19/271277119.db2.gz PWBSREQXRPCTDB-JSGCOSHPSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419186337 271277122 /nfs/dbraw/zinc/27/71/22/271277122.db2.gz PWBSREQXRPCTDB-JSGCOSHPSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419477450 271297156 /nfs/dbraw/zinc/29/71/56/271297156.db2.gz IAAUSNKNONVICU-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419477450 271297159 /nfs/dbraw/zinc/29/71/59/271297159.db2.gz IAAUSNKNONVICU-HUUCEWRRSA-N 1 3 324.469 0.707 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000419530416 271298599 /nfs/dbraw/zinc/29/85/99/271298599.db2.gz ZFMLHMNIBGMKTB-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419578532 271309923 /nfs/dbraw/zinc/30/99/23/271309923.db2.gz DZRBDMMMIHTJDP-MGPQQGTHSA-N 1 3 310.442 0.173 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000419673046 271320117 /nfs/dbraw/zinc/32/01/17/271320117.db2.gz IPQCCNPRMHZFBW-ZIAGYGMSSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419704452 271323696 /nfs/dbraw/zinc/32/36/96/271323696.db2.gz XZKFNWKHOZDKLP-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000419829399 271330769 /nfs/dbraw/zinc/33/07/69/271330769.db2.gz PSXPOJRUNDHAEJ-UONOGXRCSA-N 1 3 312.458 0.324 20 0 DCADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000419942539 271347110 /nfs/dbraw/zinc/34/71/10/271347110.db2.gz GBTUNWORKSEKJY-MELADBBJSA-N 1 3 312.458 0.337 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420017498 271352963 /nfs/dbraw/zinc/35/29/63/271352963.db2.gz OERZTSYTBAONPA-MGPQQGTHSA-N 1 3 310.442 0.221 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420168236 271362085 /nfs/dbraw/zinc/36/20/85/271362085.db2.gz KVGPYDNWUTZSCO-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420593869 271374280 /nfs/dbraw/zinc/37/42/80/271374280.db2.gz CQYGTLZWSOHFBL-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424046172 271395279 /nfs/dbraw/zinc/39/52/79/271395279.db2.gz QBOPYXMQJNAOGK-LSDHHAIUSA-N 1 3 323.437 0.221 20 0 DCADHO COC(=O)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)[nH]1 ZINC000443075576 271697257 /nfs/dbraw/zinc/69/72/57/271697257.db2.gz ZQTFEXNPEXBNSE-UHFFFAOYSA-N 1 3 308.426 0.917 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459981604 272022505 /nfs/dbraw/zinc/02/25/05/272022505.db2.gz BQJSUTSVKLLCMA-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459981604 272022508 /nfs/dbraw/zinc/02/25/08/272022508.db2.gz BQJSUTSVKLLCMA-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C/C=C\C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000491841329 272105896 /nfs/dbraw/zinc/10/58/96/272105896.db2.gz CCBJXRRLMLPPAT-WAYWQWQTSA-N 1 3 310.442 0.163 20 0 DCADHO CN(C)C/C=C\C(=O)N(CCNC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000491848253 272106918 /nfs/dbraw/zinc/10/69/18/272106918.db2.gz MSDARXWBDPGZCU-YMBWGVAGSA-N 1 3 322.453 0.329 20 0 DCADHO CN(C)C/C=C/C(=O)NCCN(C(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491848253 272106920 /nfs/dbraw/zinc/10/69/20/272106920.db2.gz MSDARXWBDPGZCU-YMBWGVAGSA-N 1 3 322.453 0.329 20 0 DCADHO CN(C)C/C=C\C(=O)N1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492090011 272115746 /nfs/dbraw/zinc/11/57/46/272115746.db2.gz QGJHZKDQFAXFCG-VVRUXRSYSA-N 1 3 322.453 0.283 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)/C=C\C[NH+](C)C)C2)CC1 ZINC000492124687 272116430 /nfs/dbraw/zinc/11/64/30/272116430.db2.gz MGJKQDZQMGJVDT-OGZRUICASA-N 1 3 308.470 0.731 20 0 DCADHO CC(C)N1CCN(CCC[NH+]2CCC3(COC(=O)N3)CC2)CC1 ZINC000496082179 272291437 /nfs/dbraw/zinc/29/14/37/272291437.db2.gz CDLYWCJVOTWCDD-UHFFFAOYSA-N 1 3 324.469 0.977 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346125457 276171400 /nfs/dbraw/zinc/17/14/00/276171400.db2.gz ZJKGOZAVGBNTPF-UMVBOHGHSA-N 1 3 322.453 0.328 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000346125457 276171402 /nfs/dbraw/zinc/17/14/02/276171402.db2.gz ZJKGOZAVGBNTPF-UMVBOHGHSA-N 1 3 322.453 0.328 20 0 DCADHO C[NH2+]CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000237221700 277020779 /nfs/dbraw/zinc/02/07/79/277020779.db2.gz MWKXGJPVAXOWSU-MRXNPFEDSA-N 1 3 304.438 0.701 20 0 DCADHO C[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)CN1CCN(C)CC1 ZINC000237417481 278197921 /nfs/dbraw/zinc/19/79/21/278197921.db2.gz YZYJBPUSLFFTNJ-KGLIPLIRSA-N 1 3 314.499 0.081 20 0 DCADHO C[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000237400091 278223931 /nfs/dbraw/zinc/22/39/31/278223931.db2.gz NPUNLHQZYWHMAJ-GOEBONIOSA-N 1 3 304.438 0.829 20 0 DCADHO CC1(C)CNCC[C@@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000333684882 278350152 /nfs/dbraw/zinc/35/01/52/278350152.db2.gz PDCCBNXAQAUVKD-LBPRGKRZSA-N 1 3 308.426 0.829 20 0 DCADHO CC[NH+]1CCC(N(C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000303981262 279258189 /nfs/dbraw/zinc/25/81/89/279258189.db2.gz FRIHKSINVKCURI-INMHGKMJSA-N 1 3 313.486 0.873 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000548333367 288132659 /nfs/dbraw/zinc/13/26/59/288132659.db2.gz KVSAIOHRXHZMJH-CQSZACIVSA-N 1 3 322.457 0.333 20 0 DCADHO CN1CC[C@H]2CN(C(=O)NCC3([NH+](C)C)CCOCC3)C[C@H]21 ZINC000454546455 282034539 /nfs/dbraw/zinc/03/45/39/282034539.db2.gz NTGLYHFWEJRJDQ-UONOGXRCSA-N 1 3 310.442 0.443 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000563647320 288695622 /nfs/dbraw/zinc/69/56/22/288695622.db2.gz KFJHAEGUXHHTKE-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH+](C)Cc1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565240070 288837238 /nfs/dbraw/zinc/83/72/38/288837238.db2.gz QPDMVPWFNHHXCQ-GJZGRUSLSA-N 1 3 316.405 0.132 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000346265389 288944779 /nfs/dbraw/zinc/94/47/79/288944779.db2.gz ANBOPYFFNYEGAQ-ZIAGYGMSSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333835996 289015509 /nfs/dbraw/zinc/01/55/09/289015509.db2.gz UGZFMWQAVSRGRI-UONOGXRCSA-N 1 3 311.474 0.404 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333835996 289015510 /nfs/dbraw/zinc/01/55/10/289015510.db2.gz UGZFMWQAVSRGRI-UONOGXRCSA-N 1 3 311.474 0.404 20 0 DCADHO COC[C@]1(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CCC[NH2+]1 ZINC000331763131 293289521 /nfs/dbraw/zinc/28/95/21/293289521.db2.gz HGDOAYFUEQODEN-BFYDXBDKSA-N 1 3 324.469 0.881 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C[C@H]2N)cn1 ZINC000333633118 294281186 /nfs/dbraw/zinc/28/11/86/294281186.db2.gz WASWHSUXOHTPHR-YIYPIFLZSA-N 1 3 306.414 0.126 20 0 DCADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155316336 300218119 /nfs/dbraw/zinc/21/81/19/300218119.db2.gz NNXQQBAHRFAMBD-HRCADAONSA-N 1 3 310.486 0.859 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000580343518 335115978 /nfs/dbraw/zinc/11/59/78/335115978.db2.gz QRPTZOAUCSBMFH-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000580343518 335115979 /nfs/dbraw/zinc/11/59/79/335115979.db2.gz QRPTZOAUCSBMFH-CQSZACIVSA-N 1 3 307.442 0.906 20 0 DCADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000570953494 333209662 /nfs/dbraw/zinc/20/96/62/333209662.db2.gz FBLQBFFZGUGIKI-ZDUSSCGKSA-N 1 3 310.442 0.126 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]C/C=C\Cl)CCC1 ZINC001571581298 1159218852 /nfs/dbraw/zinc/21/88/52/1159218852.db2.gz IHSBZSUBSMTKMM-VVEJJEBESA-N 1 3 303.834 0.632 20 0 DCADHO CCn1ccnc1CN(C(=O)[C@H](C)NC)[C@H]1CC12CC[NH2+]CC2 ZINC000583822261 337336747 /nfs/dbraw/zinc/33/67/47/337336747.db2.gz GVWWMPGHVMECMC-KBPBESRZSA-N 1 3 319.453 0.982 20 0 DCADHO CN(CC1CCN(C)CC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576706991 341859598 /nfs/dbraw/zinc/85/95/98/341859598.db2.gz HQWFGBPTAIRXAY-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001446508016 1159440417 /nfs/dbraw/zinc/44/04/17/1159440417.db2.gz OXPNDZFQKWMHNE-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001446508016 1159440434 /nfs/dbraw/zinc/44/04/34/1159440434.db2.gz OXPNDZFQKWMHNE-INIZCTEOSA-N 1 3 310.486 0.955 20 0 DCADHO CC[C@@H]([NH2+]C/C=C\CNC(=O)CN1CCC(C)CC1)C(N)=O ZINC001568938583 1160882441 /nfs/dbraw/zinc/88/24/41/1160882441.db2.gz BISHKVQAFLCQOJ-ZRUQZJFASA-N 1 3 310.442 0.244 20 0 DCADHO C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)C1CC[NH+](C)CC1 ZINC000090018402 545716757 /nfs/dbraw/zinc/71/67/57/545716757.db2.gz RKGLSUSBLATYSA-SWLSCSKDSA-N 1 3 305.426 0.845 20 0 DCADHO CN1CCN(CCCNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000322303174 546036115 /nfs/dbraw/zinc/03/61/15/546036115.db2.gz VKHIHOUMSZYUJX-UHFFFAOYSA-N 1 3 316.449 0.700 20 0 DCADHO C[C@@H]1CC2(CN1CC(=O)NCC(=O)N1CCCC1)CC[NH2+]CC2 ZINC000333610869 546086870 /nfs/dbraw/zinc/08/68/70/546086870.db2.gz RYDKHGOWTWMQAJ-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333716604 546089735 /nfs/dbraw/zinc/08/97/35/546089735.db2.gz TXOKTLZXFKUDPT-KBPBESRZSA-N 1 3 315.425 0.634 20 0 DCADHO O=C(NC[C@@H]1CCCCN1C1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000333733281 546090665 /nfs/dbraw/zinc/09/06/65/546090665.db2.gz IARUFSINDPBGQA-LSDHHAIUSA-N 1 3 310.442 0.681 20 0 DCADHO CC(C)N1CC[C@@H]([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000452110655 546261357 /nfs/dbraw/zinc/26/13/57/546261357.db2.gz AFMPQJUWHWPYQZ-QBPKDAKJSA-N 1 3 313.486 0.871 20 0 DCADHO CC(C)N1CC[C@@H]([N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000452110655 546261360 /nfs/dbraw/zinc/26/13/60/546261360.db2.gz AFMPQJUWHWPYQZ-QBPKDAKJSA-N 1 3 313.486 0.871 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000638069447 546336991 /nfs/dbraw/zinc/33/69/91/546336991.db2.gz PDHBPGYXFODIMH-IACUBPJLSA-N 1 3 301.456 0.307 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637474431 546333052 /nfs/dbraw/zinc/33/30/52/546333052.db2.gz HISDYZOAJJLHON-GOEBONIOSA-N 1 3 312.458 0.615 20 0 DCADHO CN(C)C(=O)[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)CCN1 ZINC000662279426 546374877 /nfs/dbraw/zinc/37/48/77/546374877.db2.gz UQOHIELDSLLFJG-INIZCTEOSA-N 1 3 302.422 0.194 20 0 DCADHO C[C@@H](O)C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760269 546394803 /nfs/dbraw/zinc/39/48/03/546394803.db2.gz DUPIKHFXFJYUAK-HZSPNIEDSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](O)C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760269 546394806 /nfs/dbraw/zinc/39/48/06/546394806.db2.gz DUPIKHFXFJYUAK-HZSPNIEDSA-N 1 3 302.463 0.717 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000665761675 546395119 /nfs/dbraw/zinc/39/51/19/546395119.db2.gz MPRMAULCVPQDIM-SOUVJXGZSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000665761675 546395123 /nfs/dbraw/zinc/39/51/23/546395123.db2.gz MPRMAULCVPQDIM-SOUVJXGZSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@H](O)CCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760801 546395140 /nfs/dbraw/zinc/39/51/40/546395140.db2.gz PHBKPHFPAVTGOR-KBPBESRZSA-N 1 3 302.463 0.671 20 0 DCADHO C[C@H](O)CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760801 546395143 /nfs/dbraw/zinc/39/51/43/546395143.db2.gz PHBKPHFPAVTGOR-KBPBESRZSA-N 1 3 302.463 0.671 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCOC1 ZINC000665760664 546395233 /nfs/dbraw/zinc/39/52/33/546395233.db2.gz MNIDKEIWCIMFIK-DZGCQCFKSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCOC1 ZINC000665760664 546395237 /nfs/dbraw/zinc/39/52/37/546395237.db2.gz MNIDKEIWCIMFIK-DZGCQCFKSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@H]1C ZINC000665761707 546395854 /nfs/dbraw/zinc/39/58/54/546395854.db2.gz NROYEPSXNKTTQA-BFHYXJOUSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@H]1C ZINC000665761707 546395858 /nfs/dbraw/zinc/39/58/58/546395858.db2.gz NROYEPSXNKTTQA-BFHYXJOUSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@@H]1C ZINC000665761709 546395941 /nfs/dbraw/zinc/39/59/41/546395941.db2.gz NROYEPSXNKTTQA-MELADBBJSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@@H]1C ZINC000665761709 546395946 /nfs/dbraw/zinc/39/59/46/546395946.db2.gz NROYEPSXNKTTQA-MELADBBJSA-N 1 3 300.447 0.423 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1nccn1C ZINC000665760819 546396052 /nfs/dbraw/zinc/39/60/52/546396052.db2.gz PMLDATDLUONZTD-AWEZNQCLSA-N 1 3 324.473 0.834 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1nccn1C ZINC000665760819 546396056 /nfs/dbraw/zinc/39/60/56/546396056.db2.gz PMLDATDLUONZTD-AWEZNQCLSA-N 1 3 324.473 0.834 20 0 DCADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666976781 546538506 /nfs/dbraw/zinc/53/85/06/546538506.db2.gz PDPCLGPNMACWOK-GOEBONIOSA-N 1 3 324.469 0.833 20 0 DCADHO C[C@H](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)[NH+](C)C ZINC000666979071 546539911 /nfs/dbraw/zinc/53/99/11/546539911.db2.gz LKYPXAGCRFJTFA-HIFRSBDPSA-N 1 3 312.458 0.879 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnn1C(F)F ZINC000668302203 546724466 /nfs/dbraw/zinc/72/44/66/546724466.db2.gz BIKWJDVBOIJNDJ-UHFFFAOYSA-N 1 3 303.357 0.844 20 0 DCADHO COc1cc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)on1 ZINC000668302795 546724738 /nfs/dbraw/zinc/72/47/38/546724738.db2.gz QEDCWGKXKANKFM-UHFFFAOYSA-N 1 3 312.414 0.568 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000669490932 546978189 /nfs/dbraw/zinc/97/81/89/546978189.db2.gz FCZJWFQPVUFONU-HZPDHXFCSA-N 1 3 321.469 0.160 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000669570974 546992932 /nfs/dbraw/zinc/99/29/32/546992932.db2.gz HCGOKBBAJQXNOG-CABCVRRESA-N 1 3 312.458 0.929 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCCO1 ZINC000669570950 546992960 /nfs/dbraw/zinc/99/29/60/546992960.db2.gz YAJCONHWRLWMKD-PMPSAXMXSA-N 1 3 324.469 0.881 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000670630226 547117581 /nfs/dbraw/zinc/11/75/81/547117581.db2.gz GVSCRMNQJUSVIU-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000671418977 547207377 /nfs/dbraw/zinc/20/73/77/547207377.db2.gz MPKDUAUUDJAUPC-ZDUSSCGKSA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCC1 ZINC000672979971 547430706 /nfs/dbraw/zinc/43/07/06/547430706.db2.gz MUAKYCAVXOBUIF-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000676048569 547729299 /nfs/dbraw/zinc/72/92/99/547729299.db2.gz LVWMQJJHCAJUCJ-ARFHVFGLSA-N 1 3 324.469 0.758 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCCN(C)C2)CCCO1 ZINC000683374863 548475611 /nfs/dbraw/zinc/47/56/11/548475611.db2.gz TXYCJKJRIQZYDV-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCCN(C)C2)CCCO1 ZINC000683374863 548475612 /nfs/dbraw/zinc/47/56/12/548475612.db2.gz TXYCJKJRIQZYDV-CABCVRRESA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H](CC[NH2+]Cc1ccnn1C)NC(=O)CN(C)C1CCC1 ZINC001668092433 1174756176 /nfs/dbraw/zinc/75/61/76/1174756176.db2.gz RIFBFJMPPHBCBV-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001670357453 1175007196 /nfs/dbraw/zinc/00/71/96/1175007196.db2.gz GLVCAPRHHUVDLL-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC000979413793 660738474 /nfs/dbraw/zinc/73/84/74/660738474.db2.gz XBMTXRASOGZLNJ-IUODEOHRSA-N 1 3 306.410 0.958 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903581661 663465990 /nfs/dbraw/zinc/46/59/90/663465990.db2.gz RAANFAOSUIJGSO-VHSXEESVSA-N 1 3 317.377 0.479 20 0 DCADHO COC[C@@H](C)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765069 665463695 /nfs/dbraw/zinc/46/36/95/665463695.db2.gz UHCSBUYEAQVMFF-CQSZACIVSA-N 1 3 309.454 0.945 20 0 DCADHO COCCN1CCC[C@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891537628 657464823 /nfs/dbraw/zinc/46/48/23/657464823.db2.gz MBQOJLZBJPWPRP-BBBYJDLNSA-N 1 3 310.442 0.763 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001023086769 657491245 /nfs/dbraw/zinc/49/12/45/657491245.db2.gz WPRIKLSKEASXDY-MELADBBJSA-N 1 3 303.410 0.474 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001023086769 657491250 /nfs/dbraw/zinc/49/12/50/657491250.db2.gz WPRIKLSKEASXDY-MELADBBJSA-N 1 3 303.410 0.474 20 0 DCADHO CN1CCN(CCCCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000891580397 657498569 /nfs/dbraw/zinc/49/85/69/657498569.db2.gz XLBPTYGZPLZSJI-GJZGRUSLSA-N 1 3 311.474 0.583 20 0 DCADHO CCN(C(=O)NCCCCN1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000891579941 657498588 /nfs/dbraw/zinc/49/85/88/657498588.db2.gz PCIKENMQRIESTR-HNNXBMFYSA-N 1 3 311.474 0.407 20 0 DCADHO C[C@H](CNC(=O)N1C2CCC1(C[NH3+])CC2)CN1CCN(C)CC1 ZINC000891601502 657514523 /nfs/dbraw/zinc/51/45/23/657514523.db2.gz GURRERRIKSZWNT-HPUBIQBYSA-N 1 3 323.485 0.535 20 0 DCADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023125980 657538563 /nfs/dbraw/zinc/53/85/63/657538563.db2.gz CHNXEKVLSGWUTC-VBNZEHGJSA-N 1 3 305.422 0.979 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1)C(N)=O ZINC001023128950 657539981 /nfs/dbraw/zinc/53/99/81/657539981.db2.gz ZWZHKPVRFZUGCX-RQJABVFESA-N 1 3 310.442 0.362 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000970478100 657553617 /nfs/dbraw/zinc/55/36/17/657553617.db2.gz HNRPHKHWDLQSPH-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000970478100 657553622 /nfs/dbraw/zinc/55/36/22/657553622.db2.gz HNRPHKHWDLQSPH-HUUCEWRRSA-N 1 3 322.453 0.141 20 0 DCADHO COCCN1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970557825 657628212 /nfs/dbraw/zinc/62/82/12/657628212.db2.gz NFSKOCUHWILJKQ-ZDUSSCGKSA-N 1 3 323.441 0.141 20 0 DCADHO O=C(NCC1CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891975756 658040253 /nfs/dbraw/zinc/04/02/53/658040253.db2.gz DLBNLXXIVXRMJE-INIZCTEOSA-N 1 3 302.422 1.000 20 0 DCADHO CN1CCN(C2CCN(C(=O)NCC[NH2+]C3CC3)CC2)CC1 ZINC000891989208 658072817 /nfs/dbraw/zinc/07/28/17/658072817.db2.gz PEKFWKMFSLWBLS-UHFFFAOYSA-N 1 3 309.458 0.160 20 0 DCADHO CC[NH+]1CCC(NC(=O)CN2CCCCCNC(=O)CC2)CC1 ZINC000934161866 658133488 /nfs/dbraw/zinc/13/34/88/658133488.db2.gz BPSWKNLXBHTPTH-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO COCC[NH2+]CCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892057356 658143758 /nfs/dbraw/zinc/14/37/58/658143758.db2.gz YHWJJIGCBUWIFB-OAHLLOKOSA-N 1 3 306.410 0.236 20 0 DCADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969799663 658154399 /nfs/dbraw/zinc/15/43/99/658154399.db2.gz HERBISNAIPPTQY-MRXNPFEDSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020593179 658178612 /nfs/dbraw/zinc/17/86/12/658178612.db2.gz YHIHIZHVDRTKDQ-NMFUWQPSSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nccnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020593179 658178614 /nfs/dbraw/zinc/17/86/14/658178614.db2.gz YHIHIZHVDRTKDQ-NMFUWQPSSA-N 1 3 317.437 0.720 20 0 DCADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)C(F)F ZINC000892149703 658227284 /nfs/dbraw/zinc/22/72/84/658227284.db2.gz DFAOUXVYOQKQRN-OLZOCXBDSA-N 1 3 312.364 0.983 20 0 DCADHO O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1CNCCO1 ZINC000892181057 658271731 /nfs/dbraw/zinc/27/17/31/658271731.db2.gz QPWUXEUOIWBFTF-CQSZACIVSA-N 1 3 304.394 0.120 20 0 DCADHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CN(C[C@H](C)O)C1 ZINC000969946621 658283895 /nfs/dbraw/zinc/28/38/95/658283895.db2.gz CPHCGGABIWYSDT-UONOGXRCSA-N 1 3 309.454 0.680 20 0 DCADHO COC1CCN(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000934304983 658293379 /nfs/dbraw/zinc/29/33/79/658293379.db2.gz NJVJGHREQMYXBO-UHFFFAOYSA-N 1 3 313.442 0.324 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCc3cncn3C)C2)C1 ZINC000969961029 658299623 /nfs/dbraw/zinc/29/96/23/658299623.db2.gz ZAZZIZASMKXJRE-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCc3cncn3C)C2)C1 ZINC000969961029 658299626 /nfs/dbraw/zinc/29/96/26/658299626.db2.gz ZAZZIZASMKXJRE-ZIAGYGMSSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001022712541 658356954 /nfs/dbraw/zinc/35/69/54/658356954.db2.gz STPAOWAHRGHKKS-UPJWGTAASA-N 1 3 306.414 0.036 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020675677 658361063 /nfs/dbraw/zinc/36/10/63/658361063.db2.gz APTFNTNMPZQQRX-XUXIUFHCSA-N 1 3 310.442 0.360 20 0 DCADHO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC000970103621 658467977 /nfs/dbraw/zinc/46/79/77/658467977.db2.gz QSARHRLUIHKFQE-CYBMUJFWSA-N 1 3 302.382 0.119 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020933077 658596434 /nfs/dbraw/zinc/59/64/34/658596434.db2.gz AKVDNRGBFXSZDE-HDJSIYSDSA-N 1 3 304.394 0.816 20 0 DCADHO COc1ccnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCN3C)C2)c1 ZINC001021896331 658630531 /nfs/dbraw/zinc/63/05/31/658630531.db2.gz YAHXWZHSZPQODL-DVOMOZLQSA-N 1 3 318.421 0.921 20 0 DCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001021090155 658750516 /nfs/dbraw/zinc/75/05/16/658750516.db2.gz FOFYCKCCEGHKMA-KLHDSHLOSA-N 1 3 319.453 0.993 20 0 DCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2 ZINC000891514677 658903368 /nfs/dbraw/zinc/90/33/68/658903368.db2.gz WVMLULULDXLUPT-KNCOVGOOSA-N 1 3 308.426 0.101 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC000999349265 665633636 /nfs/dbraw/zinc/63/36/36/665633636.db2.gz SAOGIGRPIYOOBM-CQSZACIVSA-N 1 3 322.453 0.284 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999351115 665633995 /nfs/dbraw/zinc/63/39/95/665633995.db2.gz CQRRJTKDAMDNQZ-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999351115 665633997 /nfs/dbraw/zinc/63/39/97/665633997.db2.gz CQRRJTKDAMDNQZ-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC000999353439 665634708 /nfs/dbraw/zinc/63/47/08/665634708.db2.gz MNKKYJLQQDNLNG-QWHCGFSZSA-N 1 3 310.442 0.315 20 0 DCADHO Cn1ccnc1CNC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027172918 659061082 /nfs/dbraw/zinc/06/10/82/659061082.db2.gz HRKGICZUKMBLIR-AWEZNQCLSA-N 1 3 317.437 0.454 20 0 DCADHO Cc1nnsc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217734 659089480 /nfs/dbraw/zinc/08/94/80/659089480.db2.gz PPYBXCTXZLZIGW-CYBMUJFWSA-N 1 3 323.466 0.880 20 0 DCADHO Cn1nccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217864 659089660 /nfs/dbraw/zinc/08/96/60/659089660.db2.gz QTNOIIRFQXJSSY-CQSZACIVSA-N 1 3 305.426 0.454 20 0 DCADHO CCn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217949 659089808 /nfs/dbraw/zinc/08/98/08/659089808.db2.gz UDDWJDAJFGOIDG-AWEZNQCLSA-N 1 3 320.441 0.332 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC000999491902 665653055 /nfs/dbraw/zinc/65/30/55/665653055.db2.gz XQYUBUFHFLKCIC-UONOGXRCSA-N 1 3 308.430 0.199 20 0 DCADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999564177 665656679 /nfs/dbraw/zinc/65/66/79/665656679.db2.gz XNVWVOFXSLNROD-ZDUSSCGKSA-N 1 3 324.469 0.705 20 0 DCADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999564177 665656680 /nfs/dbraw/zinc/65/66/80/665656680.db2.gz XNVWVOFXSLNROD-ZDUSSCGKSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000397688525 659377249 /nfs/dbraw/zinc/37/72/49/659377249.db2.gz WGFDYLCMWXHRHZ-CYBMUJFWSA-N 1 3 316.409 0.770 20 0 DCADHO CC[NH2+]C1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001026530884 659382752 /nfs/dbraw/zinc/38/27/52/659382752.db2.gz HWWGRPSREATYGN-UZZMVUAXSA-N 1 3 307.438 0.887 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000892818357 659471273 /nfs/dbraw/zinc/47/12/73/659471273.db2.gz KKUCTFUDSSQWOE-ILXRZTDVSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000892818357 659471277 /nfs/dbraw/zinc/47/12/77/659471277.db2.gz KKUCTFUDSSQWOE-ILXRZTDVSA-N 1 3 310.442 0.491 20 0 DCADHO CCn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026728147 659479789 /nfs/dbraw/zinc/47/97/89/659479789.db2.gz ZMNGLQSDWAORLO-LSDHHAIUSA-N 1 3 319.453 0.935 20 0 DCADHO CCn1ccnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026728145 659483425 /nfs/dbraw/zinc/48/34/25/659483425.db2.gz ZMNGLQSDWAORLO-GJZGRUSLSA-N 1 3 319.453 0.935 20 0 DCADHO COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)on1 ZINC001026732712 659488576 /nfs/dbraw/zinc/48/85/76/659488576.db2.gz FJELKWXCPNYCBJ-GXTWGEPZSA-N 1 3 322.409 0.716 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCn2cncn2)C1)N(C)C ZINC001027461972 659536785 /nfs/dbraw/zinc/53/67/85/659536785.db2.gz TWXBJIYSZKUTEK-LSDHHAIUSA-N 1 3 322.457 0.541 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCn2cncn2)C1)N(C)C ZINC001027461972 659536787 /nfs/dbraw/zinc/53/67/87/659536787.db2.gz TWXBJIYSZKUTEK-LSDHHAIUSA-N 1 3 322.457 0.541 20 0 DCADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799101 659565252 /nfs/dbraw/zinc/56/52/52/659565252.db2.gz VXYMUYIEDGIDAN-LJIZCISZSA-N 1 3 307.438 0.552 20 0 DCADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001025799101 659565254 /nfs/dbraw/zinc/56/52/54/659565254.db2.gz VXYMUYIEDGIDAN-LJIZCISZSA-N 1 3 307.438 0.552 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)n1 ZINC001026921177 659639134 /nfs/dbraw/zinc/63/91/34/659639134.db2.gz NVSBNWKKDSFBPM-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999850709 665691869 /nfs/dbraw/zinc/69/18/69/665691869.db2.gz ZJRDULNUIVVPEC-UMVBOHGHSA-N 1 3 322.453 0.138 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999850709 665691870 /nfs/dbraw/zinc/69/18/70/665691870.db2.gz ZJRDULNUIVVPEC-UMVBOHGHSA-N 1 3 322.453 0.138 20 0 DCADHO CO[C@@H](C)CN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977473236 659728692 /nfs/dbraw/zinc/72/86/92/659728692.db2.gz IRKDDRVJVQSGQO-UONOGXRCSA-N 1 3 309.454 0.944 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(CCn3cccn3)CC2(C)C)C1 ZINC000977593575 659773669 /nfs/dbraw/zinc/77/36/69/659773669.db2.gz BTNRPVOOAVHCKT-GJZGRUSLSA-N 1 3 319.453 0.661 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(CCn3cccn3)CC2(C)C)C1 ZINC000977593575 659773670 /nfs/dbraw/zinc/77/36/70/659773670.db2.gz BTNRPVOOAVHCKT-GJZGRUSLSA-N 1 3 319.453 0.661 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1)[NH+](C)C ZINC000999866101 665703599 /nfs/dbraw/zinc/70/35/99/665703599.db2.gz WYCWJGFQPFIHJR-CJNGLKHVSA-N 1 3 324.469 0.241 20 0 DCADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001028316310 661455775 /nfs/dbraw/zinc/45/57/75/661455775.db2.gz NRYATLMJKURKKR-HZPDHXFCSA-N 1 3 319.453 0.495 20 0 DCADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001028316310 661455777 /nfs/dbraw/zinc/45/57/77/661455777.db2.gz NRYATLMJKURKKR-HZPDHXFCSA-N 1 3 319.453 0.495 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001000186657 665767903 /nfs/dbraw/zinc/76/79/03/665767903.db2.gz VMGRLJDILUHYRK-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000925011613 661881378 /nfs/dbraw/zinc/88/13/78/661881378.db2.gz CIXGKBLRCJSAJN-KGLIPLIRSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@H+]2C2CCCCC2)C1=O ZINC000925011613 661881379 /nfs/dbraw/zinc/88/13/79/661881379.db2.gz CIXGKBLRCJSAJN-KGLIPLIRSA-N 1 3 308.426 0.875 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001028983352 661916591 /nfs/dbraw/zinc/91/65/91/661916591.db2.gz BWMWKCKQOWWZOX-DZGCQCFKSA-N 1 3 305.426 0.310 20 0 DCADHO Cn1cc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001028983352 661916593 /nfs/dbraw/zinc/91/65/93/661916593.db2.gz BWMWKCKQOWWZOX-DZGCQCFKSA-N 1 3 305.426 0.310 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1(C)C ZINC000894602625 661987374 /nfs/dbraw/zinc/98/73/74/661987374.db2.gz VSPFOSLAVXIITA-GASCZTMLSA-N 1 3 323.485 0.215 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1(C)C ZINC000894602625 661987376 /nfs/dbraw/zinc/98/73/76/661987376.db2.gz VSPFOSLAVXIITA-GASCZTMLSA-N 1 3 323.485 0.215 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173870 662025833 /nfs/dbraw/zinc/02/58/33/662025833.db2.gz SJHSVISHODDKBB-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1ncoc1CNCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000894985181 662040896 /nfs/dbraw/zinc/04/08/96/662040896.db2.gz GVRMFCBLHRINOM-UHFFFAOYSA-N 1 3 308.426 0.869 20 0 DCADHO COC(=O)[C@@H]1[C@@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)C1(F)F ZINC000895332905 662170157 /nfs/dbraw/zinc/17/01/57/662170157.db2.gz QYWHAKFBCZCECU-UPJWGTAASA-N 1 3 318.364 0.884 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000262228168 662179183 /nfs/dbraw/zinc/17/91/83/662179183.db2.gz VCLXRGHECAYYOY-HNNXBMFYSA-N 1 3 312.458 0.515 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000895841797 662221382 /nfs/dbraw/zinc/22/13/82/662221382.db2.gz SYWOEVCEXHPXKW-ARFHVFGLSA-N 1 3 324.469 0.711 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000895841797 662221383 /nfs/dbraw/zinc/22/13/83/662221383.db2.gz SYWOEVCEXHPXKW-ARFHVFGLSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000984798874 662315966 /nfs/dbraw/zinc/31/59/66/662315966.db2.gz DAHWMGRZGGECHV-VGWMRTNUSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCCNC3=O)C2)C1 ZINC000984805525 662316851 /nfs/dbraw/zinc/31/68/51/662316851.db2.gz UFSNCMAWHPKCAC-AJNGGQMLSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC000984807958 662317204 /nfs/dbraw/zinc/31/72/04/662317204.db2.gz KJVSWCLBKZOBOQ-MNXVOIDGSA-N 1 3 323.466 0.720 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNCc2cnns2)C1 ZINC000984807958 662317206 /nfs/dbraw/zinc/31/72/06/662317206.db2.gz KJVSWCLBKZOBOQ-MNXVOIDGSA-N 1 3 323.466 0.720 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000897262929 662414208 /nfs/dbraw/zinc/41/42/08/662414208.db2.gz DAWAWLBBNLAUDI-JYJNAYRXSA-N 1 3 308.470 0.565 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCn2cccn2)CC1 ZINC001000516924 665866350 /nfs/dbraw/zinc/86/63/50/665866350.db2.gz CHIAKLDKSWMZSX-INIZCTEOSA-N 1 3 317.437 0.726 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCn2cccn2)CC1 ZINC001000516924 665866352 /nfs/dbraw/zinc/86/63/52/665866352.db2.gz CHIAKLDKSWMZSX-INIZCTEOSA-N 1 3 317.437 0.726 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985467076 662460015 /nfs/dbraw/zinc/46/00/15/662460015.db2.gz HGTFSVCNSQFVKR-LSDHHAIUSA-N 1 3 324.469 0.513 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985467076 662460016 /nfs/dbraw/zinc/46/00/16/662460016.db2.gz HGTFSVCNSQFVKR-LSDHHAIUSA-N 1 3 324.469 0.513 20 0 DCADHO C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518301 662472522 /nfs/dbraw/zinc/47/25/22/662472522.db2.gz MGIWXFJCZQZCOQ-ZDUSSCGKSA-N 1 3 322.453 0.411 20 0 DCADHO CC[C@H]([NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001000541588 665871963 /nfs/dbraw/zinc/87/19/63/665871963.db2.gz IESMPISZOGOALY-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)[C@H]2CCNC2=O)CC1)N(C)C ZINC001029996772 662628854 /nfs/dbraw/zinc/62/88/54/662628854.db2.gz LKHYVSJUZMAVFA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)[C@H]2CCNC2=O)CC1)N(C)C ZINC001029996772 662628855 /nfs/dbraw/zinc/62/88/55/662628855.db2.gz LKHYVSJUZMAVFA-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000938039930 662856163 /nfs/dbraw/zinc/85/61/63/662856163.db2.gz SRVDKQDFXVMIKE-MBNYWOFBSA-N 1 3 319.409 0.010 20 0 DCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000938039930 662856164 /nfs/dbraw/zinc/85/61/64/662856164.db2.gz SRVDKQDFXVMIKE-MBNYWOFBSA-N 1 3 319.409 0.010 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000690439 665910337 /nfs/dbraw/zinc/91/03/37/665910337.db2.gz UKLLPYSZNLXBDG-ZIAGYGMSSA-N 1 3 320.441 0.536 20 0 DCADHO Cc1nc(CN[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000690439 665910342 /nfs/dbraw/zinc/91/03/42/665910342.db2.gz UKLLPYSZNLXBDG-ZIAGYGMSSA-N 1 3 320.441 0.536 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897544726 662892008 /nfs/dbraw/zinc/89/20/08/662892008.db2.gz BUIXQAZAMIWAJV-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897544726 662892009 /nfs/dbraw/zinc/89/20/09/662892009.db2.gz BUIXQAZAMIWAJV-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CC[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729584829 662904052 /nfs/dbraw/zinc/90/40/52/662904052.db2.gz KPPPVJVCDNSFOX-CABCVRRESA-N 1 3 310.442 0.633 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]CCc2ccnn2C)CN1C(=O)Cc1c[nH]cn1 ZINC000989492257 662953798 /nfs/dbraw/zinc/95/37/98/662953798.db2.gz LWKLFMQHKYYQFQ-OCCSQVGLSA-N 1 3 316.409 0.507 20 0 DCADHO C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C12CCC2 ZINC000898836460 663109676 /nfs/dbraw/zinc/10/96/76/663109676.db2.gz UTEHXEZEWACSCK-QLFBSQMISA-N 1 3 306.454 0.365 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000899991781 663207942 /nfs/dbraw/zinc/20/79/42/663207942.db2.gz ZLZBQNVICQYDOT-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CN1CCN(CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000899991781 663207943 /nfs/dbraw/zinc/20/79/43/663207943.db2.gz ZLZBQNVICQYDOT-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000900687554 663272313 /nfs/dbraw/zinc/27/23/13/663272313.db2.gz WIBNQBHUBZKLQY-UHFFFAOYSA-N 1 3 307.442 0.859 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N(C)C ZINC000901274408 663334502 /nfs/dbraw/zinc/33/45/02/663334502.db2.gz UQHIKSDPPVFSHV-OWCLPIDISA-N 1 3 310.486 0.811 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)N(C)C ZINC000901274409 663334583 /nfs/dbraw/zinc/33/45/83/663334583.db2.gz UQHIKSDPPVFSHV-PMPSAXMXSA-N 1 3 310.486 0.811 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n[nH]1 ZINC001000929807 665965424 /nfs/dbraw/zinc/96/54/24/665965424.db2.gz SLLFMKVFIYIXOG-STQMWFEESA-N 1 3 306.414 0.145 20 0 DCADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n[nH]1 ZINC001000929807 665965426 /nfs/dbraw/zinc/96/54/26/665965426.db2.gz SLLFMKVFIYIXOG-STQMWFEESA-N 1 3 306.414 0.145 20 0 DCADHO O=C([C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1)N1CCOCC1 ZINC000903723205 663475395 /nfs/dbraw/zinc/47/53/95/663475395.db2.gz FRYRFDDEXORGLK-HZPDHXFCSA-N 1 3 309.454 0.947 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903732831 663476351 /nfs/dbraw/zinc/47/63/51/663476351.db2.gz XRTMPIPPKOGIAL-ZDUSSCGKSA-N 1 3 324.469 0.515 20 0 DCADHO Cn1nnnc1C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903780516 663484273 /nfs/dbraw/zinc/48/42/73/663484273.db2.gz HUNJPSKHWMARGV-ZFWWWQNUSA-N 1 3 306.414 0.158 20 0 DCADHO COC(=O)C[C@@H]1CCCN1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903894732 663493801 /nfs/dbraw/zinc/49/38/01/663493801.db2.gz CTCKLXNYUKJTDC-ZFWWWQNUSA-N 1 3 308.426 0.873 20 0 DCADHO Cc1c(C[C@H](CN)C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cnn1C ZINC000903929471 663496386 /nfs/dbraw/zinc/49/63/86/663496386.db2.gz GIFLSMALOGZHQV-GDBMZVCRSA-N 1 3 321.469 0.835 20 0 DCADHO Cc1c(C[C@H](CN)C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cnn1C ZINC000903929471 663496387 /nfs/dbraw/zinc/49/63/87/663496387.db2.gz GIFLSMALOGZHQV-GDBMZVCRSA-N 1 3 321.469 0.835 20 0 DCADHO C[NH+](C)CC1(CNC[C@@H](O)C[C@@]2(O)CCOC2)CCCC1 ZINC000905211782 663540902 /nfs/dbraw/zinc/54/09/02/663540902.db2.gz GYFWVDTYKRATFS-HOCLYGCPSA-N 1 3 300.443 0.600 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040395794 663554993 /nfs/dbraw/zinc/55/49/93/663554993.db2.gz QRZTWDFGKZEXKV-NVXWUHKLSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040395794 663554996 /nfs/dbraw/zinc/55/49/96/663554996.db2.gz QRZTWDFGKZEXKV-NVXWUHKLSA-N 1 3 309.454 0.778 20 0 DCADHO CN(C)CCn1nccc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000908443246 663755737 /nfs/dbraw/zinc/75/57/37/663755737.db2.gz XLZUUCXUPZNFMV-UHFFFAOYSA-N 1 3 319.413 0.455 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911161267 663995260 /nfs/dbraw/zinc/99/52/60/663995260.db2.gz KDHIDCQATDXEAT-AWEZNQCLSA-N 1 3 310.442 0.032 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)C1 ZINC000911161820 663995742 /nfs/dbraw/zinc/99/57/42/663995742.db2.gz NCFBTZYRYDMSRI-RBSFLKMASA-N 1 3 324.469 0.278 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911205239 664004709 /nfs/dbraw/zinc/00/47/09/664004709.db2.gz AZTKMAGSSUSXMF-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911257638 664016745 /nfs/dbraw/zinc/01/67/45/664016745.db2.gz JJBKLSUKGOBUCF-QWHCGFSZSA-N 1 3 324.469 0.337 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000911302684 664022979 /nfs/dbraw/zinc/02/29/79/664022979.db2.gz KGTDEPBMRMPLFZ-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000911325514 664028486 /nfs/dbraw/zinc/02/84/86/664028486.db2.gz TYRPDZYCIXILJM-BARDWOONSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911333745 664029823 /nfs/dbraw/zinc/02/98/23/664029823.db2.gz ULUUUCIGWCVBOO-ZIAGYGMSSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000911367519 664043906 /nfs/dbraw/zinc/04/39/06/664043906.db2.gz QHWNNEHSBFKLIS-RBSFLKMASA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@H]1[NH3+] ZINC000911532479 664069912 /nfs/dbraw/zinc/06/99/12/664069912.db2.gz MADUJCDKBRYVSV-CHWSQXEVSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911533186 664070595 /nfs/dbraw/zinc/07/05/95/664070595.db2.gz NNDQWUNTIGMVFM-ZIAGYGMSSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)N1CCC[C@@H](C)C1 ZINC000911519045 664073704 /nfs/dbraw/zinc/07/37/04/664073704.db2.gz FACXYXPTZLTIIN-MGPQQGTHSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911556718 664078446 /nfs/dbraw/zinc/07/84/46/664078446.db2.gz LFNWOWLOFHLTFW-JOCQHMNTSA-N 1 3 322.409 0.023 20 0 DCADHO CN1CCC(N(CCO)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000911945261 664124746 /nfs/dbraw/zinc/12/47/46/664124746.db2.gz HEUIZTISXYGLJP-GOEBONIOSA-N 1 3 309.454 0.918 20 0 DCADHO CN1CCC(N(CCO)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000911945261 664124747 /nfs/dbraw/zinc/12/47/47/664124747.db2.gz HEUIZTISXYGLJP-GOEBONIOSA-N 1 3 309.454 0.918 20 0 DCADHO CCCN1CCC([N@H+](C)C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929777065 664739665 /nfs/dbraw/zinc/73/96/65/664739665.db2.gz HCZCUZDUXRSOHW-OAHLLOKOSA-N 1 3 300.443 0.695 20 0 DCADHO CCCN1CCC([N@@H+](C)C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929777065 664739666 /nfs/dbraw/zinc/73/96/66/664739666.db2.gz HCZCUZDUXRSOHW-OAHLLOKOSA-N 1 3 300.443 0.695 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)[C@H]2C1)C1CCC1 ZINC000992710336 664760246 /nfs/dbraw/zinc/76/02/46/664760246.db2.gz LAEMXKZSTOMCIH-AEGPPILISA-N 1 3 322.453 0.173 20 0 DCADHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(N)=O)[C@@H]2C1)C1CCC1 ZINC000992710341 664760258 /nfs/dbraw/zinc/76/02/58/664760258.db2.gz LAEMXKZSTOMCIH-CFVMTHIKSA-N 1 3 322.453 0.173 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000914315441 664770861 /nfs/dbraw/zinc/77/08/61/664770861.db2.gz SFXMNIGKENESBM-ZFWWWQNUSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000914315441 664770862 /nfs/dbraw/zinc/77/08/62/664770862.db2.gz SFXMNIGKENESBM-ZFWWWQNUSA-N 1 3 310.442 0.633 20 0 DCADHO CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001032529283 665310814 /nfs/dbraw/zinc/31/08/14/665310814.db2.gz ABMQBLCAWITXEX-XJADACSNSA-N 1 3 319.449 0.791 20 0 DCADHO CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001032529283 665310816 /nfs/dbraw/zinc/31/08/16/665310816.db2.gz ABMQBLCAWITXEX-XJADACSNSA-N 1 3 319.449 0.791 20 0 DCADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC000997830733 665352057 /nfs/dbraw/zinc/35/20/57/665352057.db2.gz NOIAWNJVCGKVME-GJZGRUSLSA-N 1 3 322.453 0.043 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545663 665388615 /nfs/dbraw/zinc/38/86/15/665388615.db2.gz KDXMIOMKERYYBL-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938545663 665388616 /nfs/dbraw/zinc/38/86/16/665388616.db2.gz KDXMIOMKERYYBL-LSDHHAIUSA-N 1 3 322.453 0.093 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639656 666033434 /nfs/dbraw/zinc/03/34/34/666033434.db2.gz ULQQISMFNKPXMX-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CCCCN1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639656 666033437 /nfs/dbraw/zinc/03/34/37/666033437.db2.gz ULQQISMFNKPXMX-INIZCTEOSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)CC[NH+]1CC(N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000941668086 666040981 /nfs/dbraw/zinc/04/09/81/666040981.db2.gz FZEJVFUQTPDFJL-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H](O)CN1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032118670 666341368 /nfs/dbraw/zinc/34/13/68/666341368.db2.gz ONNGXUDPLJWFHJ-CYBMUJFWSA-N 1 3 309.454 0.537 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001004146816 666458570 /nfs/dbraw/zinc/45/85/70/666458570.db2.gz AVHLVRYJRBBKMP-CQSZACIVSA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001004146816 666458571 /nfs/dbraw/zinc/45/85/71/666458571.db2.gz AVHLVRYJRBBKMP-CQSZACIVSA-N 1 3 305.426 0.415 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004371222 666524947 /nfs/dbraw/zinc/52/49/47/666524947.db2.gz KTIJJQMOQLSUQV-CVEARBPZSA-N 1 3 309.454 0.776 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004371222 666524949 /nfs/dbraw/zinc/52/49/49/666524949.db2.gz KTIJJQMOQLSUQV-CVEARBPZSA-N 1 3 309.454 0.776 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1)N(C)C ZINC001004471656 666546639 /nfs/dbraw/zinc/54/66/39/666546639.db2.gz CCWTZBNACAEWOM-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1)N(C)C ZINC001004471656 666546640 /nfs/dbraw/zinc/54/66/40/666546640.db2.gz CCWTZBNACAEWOM-HUUCEWRRSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@H](N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996220812 666751998 /nfs/dbraw/zinc/75/19/98/666751998.db2.gz FURSYTXRYVGMMO-AAEUAGOBSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H](N[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996220817 666752039 /nfs/dbraw/zinc/75/20/39/666752039.db2.gz FURSYTXRYVGMMO-YPMHNXCESA-N 1 3 310.442 0.029 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCn2cncn2)C(C)(C)C1)N(C)C ZINC000996312815 666769645 /nfs/dbraw/zinc/76/96/45/666769645.db2.gz AQYYZENDXLHIRE-UONOGXRCSA-N 1 3 322.457 0.445 20 0 DCADHO CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CCN(CCO)C1 ZINC001033686589 666795153 /nfs/dbraw/zinc/79/51/53/666795153.db2.gz RASWENSUAKVHLW-OAHLLOKOSA-N 1 3 305.422 0.887 20 0 DCADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)CCCF)CC1 ZINC001098561776 1157682191 /nfs/dbraw/zinc/68/21/91/1157682191.db2.gz NLHCCWZHTAANKM-UHFFFAOYSA-N 1 3 315.433 0.727 20 0 DCADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)CCCF)CC1 ZINC001098561776 1157682194 /nfs/dbraw/zinc/68/21/94/1157682194.db2.gz NLHCCWZHTAANKM-UHFFFAOYSA-N 1 3 315.433 0.727 20 0 DCADHO C[NH+](C)[C@H](C(=O)N1CCC(NCc2cnns2)CC1)C1CC1 ZINC000996681311 666859590 /nfs/dbraw/zinc/85/95/90/666859590.db2.gz ZFJNNDXEEYEDTG-AWEZNQCLSA-N 1 3 323.466 0.959 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1)N(C)C ZINC000996694525 666862707 /nfs/dbraw/zinc/86/27/07/666862707.db2.gz XAQASQIUJZFYJS-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO CCC[NH2+]C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000996822906 666933301 /nfs/dbraw/zinc/93/33/01/666933301.db2.gz QOPFJKPMIHKWOL-GULBITTBSA-N 1 3 307.438 0.840 20 0 DCADHO [NH3+]C1(CNC(=O)NC[C@H]2NCCc3ccccc32)CCOCC1 ZINC000861643279 666953075 /nfs/dbraw/zinc/95/30/75/666953075.db2.gz BMSSKFPCSJYIOJ-OAHLLOKOSA-N 1 3 318.421 0.681 20 0 DCADHO COCCN1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034209417 666955318 /nfs/dbraw/zinc/95/53/18/666955318.db2.gz AYDHWZJKMDYUBQ-CVEARBPZSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1ccnc1CNC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996945933 667035207 /nfs/dbraw/zinc/03/52/07/667035207.db2.gz LCPVZFALOBVONJ-UHFFFAOYSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC000997004449 667068613 /nfs/dbraw/zinc/06/86/13/667068613.db2.gz CTUVDJSEJIFVAK-ZFWWWQNUSA-N 1 3 322.453 0.187 20 0 DCADHO O=C(CN1CCCC1)N1CCC(CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001034573167 667069252 /nfs/dbraw/zinc/06/92/52/667069252.db2.gz HUJZYBPTQZTBKK-OAHLLOKOSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000997003482 667072066 /nfs/dbraw/zinc/07/20/66/667072066.db2.gz BIHZOXFYFXECRP-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000997003482 667072070 /nfs/dbraw/zinc/07/20/70/667072070.db2.gz BIHZOXFYFXECRP-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1)N(C)C ZINC000997011386 667074182 /nfs/dbraw/zinc/07/41/82/667074182.db2.gz YXKHVFUUQMXVLK-HNNXBMFYSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCN1CC[C@H](O)C1 ZINC000863252861 667122078 /nfs/dbraw/zinc/12/20/78/667122078.db2.gz DWWJIHVBBAXVBT-OLZOCXBDSA-N 1 3 300.472 0.001 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCN1CC[C@H](O)C1 ZINC000863252861 667122081 /nfs/dbraw/zinc/12/20/81/667122081.db2.gz DWWJIHVBBAXVBT-OLZOCXBDSA-N 1 3 300.472 0.001 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1)C(N)=O ZINC001034734769 667127978 /nfs/dbraw/zinc/12/79/78/667127978.db2.gz YDPIWOXQDRKMOB-TUVASFSCSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001034733849 667128488 /nfs/dbraw/zinc/12/84/88/667128488.db2.gz DZVOIJXJBUDXSG-TUVASFSCSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1)C(N)=O ZINC001034738235 667131732 /nfs/dbraw/zinc/13/17/32/667131732.db2.gz RTHNONMOKQHISI-TUVASFSCSA-N 1 3 324.469 0.752 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001035052468 667230172 /nfs/dbraw/zinc/23/01/72/667230172.db2.gz YDMLGOQNNFBWQV-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001035052468 667230175 /nfs/dbraw/zinc/23/01/75/667230175.db2.gz YDMLGOQNNFBWQV-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001035052468 667230177 /nfs/dbraw/zinc/23/01/77/667230177.db2.gz YDMLGOQNNFBWQV-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000997301017 667234517 /nfs/dbraw/zinc/23/45/17/667234517.db2.gz ZRFYDACNEBTBJU-CQSZACIVSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000997301017 667234518 /nfs/dbraw/zinc/23/45/18/667234518.db2.gz ZRFYDACNEBTBJU-CQSZACIVSA-N 1 3 319.453 0.761 20 0 DCADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997299474 667240203 /nfs/dbraw/zinc/24/02/03/667240203.db2.gz NWCHLGOUGTZNTA-DGCLKSJQSA-N 1 3 320.441 0.706 20 0 DCADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997299474 667240206 /nfs/dbraw/zinc/24/02/06/667240206.db2.gz NWCHLGOUGTZNTA-DGCLKSJQSA-N 1 3 320.441 0.706 20 0 DCADHO CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000997303322 667243704 /nfs/dbraw/zinc/24/37/04/667243704.db2.gz TZIUCCNSHKMNOE-OAHLLOKOSA-N 1 3 322.453 0.284 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001035125963 667251843 /nfs/dbraw/zinc/25/18/43/667251843.db2.gz PHHXZCRLMIZQGR-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001035125963 667251848 /nfs/dbraw/zinc/25/18/48/667251848.db2.gz PHHXZCRLMIZQGR-DZGCQCFKSA-N 1 3 305.426 0.452 20 0 DCADHO CN1CCN(C(=O)CCN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925493850 667339104 /nfs/dbraw/zinc/33/91/04/667339104.db2.gz ZUGQOZUFXCYCMI-VNQPRFMTSA-N 1 3 308.470 0.517 20 0 DCADHO O=C1OC[C@@]2(C[NH2+]C3CCN(CC4CC4)CC3)COCCN12 ZINC000866519960 667379431 /nfs/dbraw/zinc/37/94/31/667379431.db2.gz YTBJWPAGKZWOAB-MRXNPFEDSA-N 1 3 309.410 0.672 20 0 DCADHO Cn1cncc1CCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712801 667389779 /nfs/dbraw/zinc/38/97/79/667389779.db2.gz XQXXMOCGBJPRSV-ZNMIVQPWSA-N 1 3 319.409 0.220 20 0 DCADHO Nc1cccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866714269 667390275 /nfs/dbraw/zinc/39/02/75/667390275.db2.gz KEWRHHCTARPSGV-ZNMIVQPWSA-N 1 3 302.378 0.636 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035799219 667411114 /nfs/dbraw/zinc/41/11/14/667411114.db2.gz WJDNFGWZWPWPAP-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(N1CCC2(CN(CCCO)C2)CC1)C12CC[NH+](CC1)C2 ZINC001035836706 667414019 /nfs/dbraw/zinc/41/40/19/667414019.db2.gz HOEUWKLLYDRYJU-UHFFFAOYSA-N 1 3 307.438 0.389 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC001036293067 667434555 /nfs/dbraw/zinc/43/45/55/667434555.db2.gz FPGNQJVFWGAFJW-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000923118682 667462441 /nfs/dbraw/zinc/46/24/41/667462441.db2.gz JZUVRRKZDUVQSQ-BMFZPTHFSA-N 1 3 324.469 0.879 20 0 DCADHO COCC[C@H](N)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000884217126 667501369 /nfs/dbraw/zinc/50/13/69/667501369.db2.gz FUPKTXROPPBHKC-ZDUSSCGKSA-N 1 3 301.431 0.356 20 0 DCADHO Cc1nc(CN(C)[C@@H]2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)no1 ZINC000923328404 667506178 /nfs/dbraw/zinc/50/61/78/667506178.db2.gz ZLXTWWFPOSDPON-ZIAGYGMSSA-N 1 3 321.425 0.263 20 0 DCADHO Cc1ccc(N2CCC[C@@H](N(C)[C@H]3C[C@H]([NH3+])C[C@@H]3O)C2)nn1 ZINC000923321033 667506569 /nfs/dbraw/zinc/50/65/69/667506569.db2.gz CEPBVWINDQMBGL-XGUBFFRZSA-N 1 3 305.426 0.536 20 0 DCADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946894964 667519207 /nfs/dbraw/zinc/51/92/07/667519207.db2.gz LSBKYWHGDJRADG-KFWWJZLASA-N 1 3 322.453 0.126 20 0 DCADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946894964 667519208 /nfs/dbraw/zinc/51/92/08/667519208.db2.gz LSBKYWHGDJRADG-KFWWJZLASA-N 1 3 322.453 0.126 20 0 DCADHO Cn1cnnc1N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923385557 667523556 /nfs/dbraw/zinc/52/35/56/667523556.db2.gz ALCBKEMGSXKCGN-GOOCMWNKSA-N 1 3 304.442 0.858 20 0 DCADHO NCc1cn([C@H]2CC[N@H+](C[C@@H](O)CCc3ccccc3)C2)nn1 ZINC000923411042 667529451 /nfs/dbraw/zinc/52/94/51/667529451.db2.gz MLWFPFCLBPLLGS-IRXDYDNUSA-N 1 3 315.421 0.977 20 0 DCADHO NCc1cn([C@H]2CC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)nn1 ZINC000923411042 667529453 /nfs/dbraw/zinc/52/94/53/667529453.db2.gz MLWFPFCLBPLLGS-IRXDYDNUSA-N 1 3 315.421 0.977 20 0 DCADHO [NH3+]C[C@@H]1CC2(CO1)CCN([C@@H]1CCN(C3CCC3)C1=O)CC2 ZINC000923447945 667534502 /nfs/dbraw/zinc/53/45/02/667534502.db2.gz XXZBJGMHBOWNAJ-LSDHHAIUSA-N 1 3 307.438 0.970 20 0 DCADHO [NH3+]CC[C@H]1CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000923491695 667546581 /nfs/dbraw/zinc/54/65/81/667546581.db2.gz MDXVYGSOPWOVKI-ZFWWWQNUSA-N 1 3 303.406 0.777 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@H]3C[NH2+]CC3(C)C)CC2)CC1 ZINC000884471322 667550686 /nfs/dbraw/zinc/55/06/86/667550686.db2.gz RTQLSCCJHCGRLF-OAHLLOKOSA-N 1 3 308.470 0.470 20 0 DCADHO C[C@H]1CN(CC(=O)NCCCN2CCCC2=O)CC[C@@H]1C[NH3+] ZINC000923503477 667551836 /nfs/dbraw/zinc/55/18/36/667551836.db2.gz IYHLSUBBSKGADQ-UONOGXRCSA-N 1 3 310.442 0.032 20 0 DCADHO [NH3+]CCOCCN1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923540535 667558206 /nfs/dbraw/zinc/55/82/06/667558206.db2.gz JRERAZOBMSEIAB-CABCVRRESA-N 1 3 305.422 0.944 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884577570 667569456 /nfs/dbraw/zinc/56/94/56/667569456.db2.gz IFNRFZNNHVPKDP-CABCVRRESA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000884576473 667569505 /nfs/dbraw/zinc/56/95/05/667569505.db2.gz IKBDFMKUIBAHDS-HUUCEWRRSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C1=CCN(C)CC1 ZINC000884623751 667578586 /nfs/dbraw/zinc/57/85/86/667578586.db2.gz NGXGPHAMQOKAQL-QEJZJMRPSA-N 1 3 320.437 0.106 20 0 DCADHO C[C@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000884684092 667589363 /nfs/dbraw/zinc/58/93/63/667589363.db2.gz XESWZDOAHOJTEG-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884878748 667618097 /nfs/dbraw/zinc/61/80/97/667618097.db2.gz HQTHUXLTXMHONA-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000884889652 667619522 /nfs/dbraw/zinc/61/95/22/667619522.db2.gz KQJBEQSIYHBTCX-HNNXBMFYSA-N 1 3 320.437 0.083 20 0 DCADHO CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000885206592 667652962 /nfs/dbraw/zinc/65/29/62/667652962.db2.gz KKSOSUCFJVHLPQ-CYBMUJFWSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000871362116 667809575 /nfs/dbraw/zinc/80/95/75/667809575.db2.gz WZPNRDFTASWCTQ-CKDBGZEDSA-N 1 3 308.470 0.755 20 0 DCADHO CNC(=O)C1(NCc2cccc3c2CC[NH2+]C3)CCOCC1 ZINC000886881246 667813572 /nfs/dbraw/zinc/81/35/72/667813572.db2.gz VPMRURVSPKEFSE-UHFFFAOYSA-N 1 3 303.406 0.717 20 0 DCADHO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)C1CNC1 ZINC000923631215 667824057 /nfs/dbraw/zinc/82/40/57/667824057.db2.gz BPDYRPOKSXXFLV-UHFFFAOYSA-N 1 3 310.423 0.189 20 0 DCADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000872146863 667867877 /nfs/dbraw/zinc/86/78/77/667867877.db2.gz ZIHSZASMDQKFDF-PLZKBRGSSA-N 1 3 321.421 0.811 20 0 DCADHO C[C@H]1CC[C@@H](CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)O1 ZINC000872145766 667868282 /nfs/dbraw/zinc/86/82/82/667868282.db2.gz XVUXFYOPCLWUPR-MHEUCROKSA-N 1 3 309.410 0.811 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872187540 667872384 /nfs/dbraw/zinc/87/23/84/667872384.db2.gz WJZGWIJISYRJSD-WMLDXEAASA-N 1 3 324.469 0.101 20 0 DCADHO CN1CC[NH+](C[C@@H](O)CNCc2ncc(Cl)s2)CC1 ZINC000872244126 667882174 /nfs/dbraw/zinc/88/21/74/667882174.db2.gz CPCKBKPHVACGCO-JTQLQIEISA-N 1 3 304.847 0.494 20 0 DCADHO COC1CCN(CCNC(=S)NCCC[NH+](C)C)CC1 ZINC000751040352 667994809 /nfs/dbraw/zinc/99/48/09/667994809.db2.gz WRJOYNADCJVPTJ-UHFFFAOYSA-N 1 3 302.488 0.513 20 0 DCADHO COC(=O)C1CC[NH+](CCCNC(=O)CN2CCCC2)CC1 ZINC000874039942 668142054 /nfs/dbraw/zinc/14/20/54/668142054.db2.gz AMHPBFQADDJFJN-UHFFFAOYSA-N 1 3 311.426 0.474 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924775807 668237102 /nfs/dbraw/zinc/23/71/02/668237102.db2.gz AKAPEMJKXPRDEM-ZIAGYGMSSA-N 1 3 310.442 0.836 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CN2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924775807 668237105 /nfs/dbraw/zinc/23/71/05/668237105.db2.gz AKAPEMJKXPRDEM-ZIAGYGMSSA-N 1 3 310.442 0.836 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000874974193 668240455 /nfs/dbraw/zinc/24/04/55/668240455.db2.gz LLBVJAANSIPLKA-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925650476 668338845 /nfs/dbraw/zinc/33/88/45/668338845.db2.gz OYEVQZWVMNSFLR-QZTJIDSGSA-N 1 3 319.449 0.856 20 0 DCADHO CN(C)C1(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCC1 ZINC000763044808 668393522 /nfs/dbraw/zinc/39/35/22/668393522.db2.gz QHRAWUFRYIUTAL-UHFFFAOYSA-N 1 3 322.497 0.957 20 0 DCADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1cnnn1C)C2 ZINC000926879509 668437735 /nfs/dbraw/zinc/43/77/35/668437735.db2.gz LASPEEVHNBOZPH-RIMJYPKNSA-N 1 3 307.442 0.945 20 0 DCADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H](C)c1cnnn1C)C2 ZINC000926879509 668437738 /nfs/dbraw/zinc/43/77/38/668437738.db2.gz LASPEEVHNBOZPH-RIMJYPKNSA-N 1 3 307.442 0.945 20 0 DCADHO COC[C@]1(C(=O)NCc2ccc(CC[NH3+])cc2)CCCCN1 ZINC000876518256 668460031 /nfs/dbraw/zinc/46/00/31/668460031.db2.gz OJGYVYTUZSUSAM-KRWDZBQOSA-N 1 3 305.422 0.963 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000876781669 668509599 /nfs/dbraw/zinc/50/95/99/668509599.db2.gz QLBAYHFAUVFLAZ-HPUBIQBYSA-N 1 3 308.470 0.661 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCCN1CCN(C)CC1 ZINC000876781547 668509735 /nfs/dbraw/zinc/50/97/35/668509735.db2.gz OPUSJKCHHNLISP-HFPBVCCTSA-N 1 3 308.470 0.542 20 0 DCADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000876845695 668520168 /nfs/dbraw/zinc/52/01/68/668520168.db2.gz HHDFFXPANVLHOJ-YSVLISHTSA-N 1 3 303.406 0.757 20 0 DCADHO CCC[C@H]1CN(C[C@H](O)C[NH+]2CCCC2)CCN1CCOC ZINC000766972782 668555568 /nfs/dbraw/zinc/55/55/68/668555568.db2.gz KSSQNOHMIZFSSU-DLBZAZTESA-N 1 3 313.486 0.876 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)C3CC[NH2+]CC3)c2)nn1 ZINC000877207671 668576761 /nfs/dbraw/zinc/57/67/61/668576761.db2.gz FIBOXEUDFMAXFJ-UHFFFAOYSA-N 1 3 314.393 0.342 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000877250062 668583468 /nfs/dbraw/zinc/58/34/68/668583468.db2.gz FKEIROFDGBRERQ-QGZVFWFLSA-N 1 3 308.470 0.615 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877271658 668588899 /nfs/dbraw/zinc/58/88/99/668588899.db2.gz DIXBTHPEJNHRCK-GVDBMIGSSA-N 1 3 316.449 0.799 20 0 DCADHO C[C@@H]1CN(C[C@H]2CCC3(COC3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930138166 668966414 /nfs/dbraw/zinc/96/64/14/668966414.db2.gz YKDYXZMFHDWFOK-ZACQAIPSSA-N 1 3 323.481 0.892 20 0 DCADHO CC(C)OC[C@H](O)C[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284825 669174065 /nfs/dbraw/zinc/17/40/65/669174065.db2.gz DIYPWBSIBZUDBV-MRXNPFEDSA-N 1 3 300.443 0.959 20 0 DCADHO CN(C)C(=O)CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880250051 669180060 /nfs/dbraw/zinc/18/00/60/669180060.db2.gz JJASMJVSXANFIF-UHFFFAOYSA-N 1 3 310.442 0.271 20 0 DCADHO O=C1NC[C@@H](O)CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC000932833088 669426899 /nfs/dbraw/zinc/42/68/99/669426899.db2.gz MYQOAPIVNHRCOB-HNNXBMFYSA-N 1 3 309.454 0.825 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H](C)N1 ZINC000884030729 669817634 /nfs/dbraw/zinc/81/76/34/669817634.db2.gz WHUKBGPHQOGKPD-BETUJISGSA-N 1 3 303.410 0.314 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)CCO1 ZINC000808781227 670425466 /nfs/dbraw/zinc/42/54/66/670425466.db2.gz BEFPFPANIDBNEF-HNNXBMFYSA-N 1 3 314.474 0.049 20 0 DCADHO C[NH+]1CCC(O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810445374 670486054 /nfs/dbraw/zinc/48/60/54/670486054.db2.gz PXCMWQKRTGBMFM-MRXNPFEDSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000811137229 670508681 /nfs/dbraw/zinc/50/86/81/670508681.db2.gz WDUPCZVSEQCHMO-JYJNAYRXSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811137229 670508688 /nfs/dbraw/zinc/50/86/88/670508688.db2.gz WDUPCZVSEQCHMO-JYJNAYRXSA-N 1 3 310.486 0.859 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COC(=O)C3)CC2)CC1 ZINC000854553930 670587819 /nfs/dbraw/zinc/58/78/19/670587819.db2.gz JRMCZMKZYBZTSL-AWEZNQCLSA-N 1 3 323.437 0.614 20 0 DCADHO Cc1cc(OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000855345664 670700804 /nfs/dbraw/zinc/70/08/04/670700804.db2.gz FISCJWFAJYTGAX-LBPRGKRZSA-N 1 3 312.414 0.750 20 0 DCADHO Cc1cc(OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000855345664 670700808 /nfs/dbraw/zinc/70/08/08/670700808.db2.gz FISCJWFAJYTGAX-LBPRGKRZSA-N 1 3 312.414 0.750 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NC[C@H]1CCCO1 ZINC000849275503 670773013 /nfs/dbraw/zinc/77/30/13/670773013.db2.gz RPQVICHNDWXOOT-UONOGXRCSA-N 1 3 316.515 0.902 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NC[C@H]1CCCO1 ZINC000849275503 670773016 /nfs/dbraw/zinc/77/30/16/670773016.db2.gz RPQVICHNDWXOOT-UONOGXRCSA-N 1 3 316.515 0.902 20 0 DCADHO CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849557537 670815885 /nfs/dbraw/zinc/81/58/85/670815885.db2.gz GVQCEBDSEFBSGG-GJZGRUSLSA-N 1 3 307.442 0.475 20 0 DCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000851688611 671015120 /nfs/dbraw/zinc/01/51/20/671015120.db2.gz DTDWWPXNTQJMLO-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)=NO1 ZINC000852868916 671180176 /nfs/dbraw/zinc/18/01/76/671180176.db2.gz PBYPBKXYXASEEU-LSDHHAIUSA-N 1 3 316.405 0.871 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](CC[S@@](C)=O)CC2)CC1 ZINC000828257014 671548638 /nfs/dbraw/zinc/54/86/38/671548638.db2.gz NLXNDJISDFEEGN-HXUWFJFHSA-N 1 3 301.500 0.714 20 0 DCADHO C[C@@H](CNC(=O)NCCCCCC[NH3+])CN1CCN(C)CC1 ZINC000831132937 671654788 /nfs/dbraw/zinc/65/47/88/671654788.db2.gz OAKMLNAFQDPMHA-HNNXBMFYSA-N 1 3 313.490 0.688 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841791161 671955958 /nfs/dbraw/zinc/95/59/58/671955958.db2.gz ONMAMSOAZNFKBP-CBBWQLFWSA-N 1 3 308.426 0.386 20 0 DCADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000841791437 671955972 /nfs/dbraw/zinc/95/59/72/671955972.db2.gz WVBTXENXFPDCHW-RRFJBIMHSA-N 1 3 310.442 0.620 20 0 DCADHO [NH3+][C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000841791013 671956012 /nfs/dbraw/zinc/95/60/12/671956012.db2.gz LLYUBGGYPHVCCE-BZUAXINKSA-N 1 3 318.421 0.849 20 0 DCADHO C[C@]1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCC[NH2+]C1 ZINC000841791455 671956529 /nfs/dbraw/zinc/95/65/29/671956529.db2.gz XITRUKOVXSCYCV-FMKPAKJESA-N 1 3 310.442 0.539 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842014283 671974054 /nfs/dbraw/zinc/97/40/54/671974054.db2.gz BPRIWUHSKXTLHA-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N1CCCCC1 ZINC000842015478 671974840 /nfs/dbraw/zinc/97/48/40/671974840.db2.gz LTAFCZHVWIUGEF-ILXRZTDVSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCCCC1 ZINC000842016906 671975071 /nfs/dbraw/zinc/97/50/71/671975071.db2.gz ZKAOCGZQVBZSOL-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000842016730 671975326 /nfs/dbraw/zinc/97/53/26/671975326.db2.gz XHBIRTPMIDVCGB-SOUVJXGZSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000843334868 672084236 /nfs/dbraw/zinc/08/42/36/672084236.db2.gz UJGRUQGTOICJGO-AWEZNQCLSA-N 1 3 308.382 0.062 20 0 DCADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc2c1CC[NH2+]C2 ZINC000391428128 685262507 /nfs/dbraw/zinc/26/25/07/685262507.db2.gz AMFJLTKMVPUTMX-GJZGRUSLSA-N 1 3 315.417 0.925 20 0 DCADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037847771 693955421 /nfs/dbraw/zinc/95/54/21/693955421.db2.gz BIXOMEGMQPCLBT-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037862044 693957520 /nfs/dbraw/zinc/95/75/20/693957520.db2.gz UGWVRZWFAGAGAM-JSGCOSHPSA-N 1 3 310.442 0.173 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000953899658 685892985 /nfs/dbraw/zinc/89/29/85/685892985.db2.gz LOEXIZQTIFUZQN-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000953899658 685892988 /nfs/dbraw/zinc/89/29/88/685892988.db2.gz LOEXIZQTIFUZQN-UKRRQHHQSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)CN1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038260462 694028907 /nfs/dbraw/zinc/02/89/07/694028907.db2.gz QWDXBGHYWSHUOM-AWEZNQCLSA-N 1 3 307.442 0.905 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CC[C@H]2CCOC2)CC1 ZINC001038664714 694154495 /nfs/dbraw/zinc/15/44/95/694154495.db2.gz WVOCXBRKFGENHW-HOCLYGCPSA-N 1 3 309.454 0.945 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O)N(C)C ZINC000960044798 688287348 /nfs/dbraw/zinc/28/73/48/688287348.db2.gz VIHHZRFLCFHHJA-BFHYXJOUSA-N 1 3 310.442 0.186 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000960217977 688327464 /nfs/dbraw/zinc/32/74/64/688327464.db2.gz KLXOCLUZYKRMLD-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO Cn1nncc1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000960217977 688327469 /nfs/dbraw/zinc/32/74/69/688327469.db2.gz KLXOCLUZYKRMLD-KGLIPLIRSA-N 1 3 320.441 0.238 20 0 DCADHO CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000960753600 688450263 /nfs/dbraw/zinc/45/02/63/688450263.db2.gz FSUNLMWBCSBTGO-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000960753600 688450264 /nfs/dbraw/zinc/45/02/64/688450264.db2.gz FSUNLMWBCSBTGO-DGNOSDGRSA-N 1 3 307.438 0.792 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961275271 688585649 /nfs/dbraw/zinc/58/56/49/688585649.db2.gz CIINCWVCBLALPX-VCAPWORMSA-N 1 3 323.412 0.256 20 0 DCADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961275271 688585651 /nfs/dbraw/zinc/58/56/51/688585651.db2.gz CIINCWVCBLALPX-VCAPWORMSA-N 1 3 323.412 0.256 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cnn(C)c2)C1 ZINC000962304695 688878223 /nfs/dbraw/zinc/87/82/23/688878223.db2.gz CGKZGOQHYRVUDK-VQCLRJIVSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC000962412267 688903030 /nfs/dbraw/zinc/90/30/30/688903030.db2.gz ZZWNLHULVSYPCN-WVZRYYJFSA-N 1 3 318.421 0.734 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]21 ZINC000962412267 688903033 /nfs/dbraw/zinc/90/30/33/688903033.db2.gz ZZWNLHULVSYPCN-WVZRYYJFSA-N 1 3 318.421 0.734 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]C[C@H]2CCOC2)C1 ZINC000962603298 688953717 /nfs/dbraw/zinc/95/37/17/688953717.db2.gz RGUXIQFKAXKZFP-IYXRBSQSSA-N 1 3 306.410 0.782 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC000962705737 688969188 /nfs/dbraw/zinc/96/91/88/688969188.db2.gz ZJAFUNVEQDTEQT-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC000962705737 688969189 /nfs/dbraw/zinc/96/91/89/688969189.db2.gz ZJAFUNVEQDTEQT-SHARSMKWSA-N 1 3 317.437 0.721 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@H+]2CCO)C1 ZINC000963367835 689042086 /nfs/dbraw/zinc/04/20/86/689042086.db2.gz TZVUHBTZXDLZBY-DZGCQCFKSA-N 1 3 306.410 0.648 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCO)C1 ZINC000963367835 689042089 /nfs/dbraw/zinc/04/20/89/689042089.db2.gz TZVUHBTZXDLZBY-DZGCQCFKSA-N 1 3 306.410 0.648 20 0 DCADHO Cn1cc(CC[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000967708542 690050328 /nfs/dbraw/zinc/05/03/28/690050328.db2.gz LTRSXQXHAIVAJG-HUUCEWRRSA-N 1 3 305.426 0.247 20 0 DCADHO CCN1CC[C@H](C)[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968409679 690255219 /nfs/dbraw/zinc/25/52/19/690255219.db2.gz OJWGOHQNYVLRKJ-ZFWWWQNUSA-N 1 3 307.442 0.905 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNC/C=C/Cl)C2)C1 ZINC001202058310 1158916755 /nfs/dbraw/zinc/91/67/55/1158916755.db2.gz KEYJSOLVWNKIJL-GUEGNNILSA-N 1 3 315.845 0.898 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](CNC/C=C/Cl)C2)C1 ZINC001202058310 1158916761 /nfs/dbraw/zinc/91/67/61/1158916761.db2.gz KEYJSOLVWNKIJL-GUEGNNILSA-N 1 3 315.845 0.898 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000968737615 690381836 /nfs/dbraw/zinc/38/18/36/690381836.db2.gz BXCLDRJHFPEASY-OWCLPIDISA-N 1 3 319.453 0.841 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000968737615 690381839 /nfs/dbraw/zinc/38/18/39/690381839.db2.gz BXCLDRJHFPEASY-OWCLPIDISA-N 1 3 319.453 0.841 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)CCC1 ZINC000968904315 690420504 /nfs/dbraw/zinc/42/05/04/690420504.db2.gz OQQISGKXEAJBTJ-OAHLLOKOSA-N 1 3 319.453 0.637 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC000969077128 690464482 /nfs/dbraw/zinc/46/44/82/690464482.db2.gz LCABXPJJTKRFKM-QLFBSQMISA-N 1 3 324.469 0.526 20 0 DCADHO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)cn1 ZINC000969099375 690469765 /nfs/dbraw/zinc/46/97/65/690469765.db2.gz OIOYAIDMJSKMMP-CABCVRRESA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970859 692528930 /nfs/dbraw/zinc/52/89/30/692528930.db2.gz UQELUBKHYPCPRQ-CJNGLKHVSA-N 1 3 309.454 0.680 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001018635207 693170309 /nfs/dbraw/zinc/17/03/09/693170309.db2.gz NWODMSGTMONIJO-IRXDYDNUSA-N 1 3 317.433 0.964 20 0 DCADHO Cc1cc(C)n(CC[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001018635119 693170542 /nfs/dbraw/zinc/17/05/42/693170542.db2.gz NGWSNOLVZBNQFA-JKSUJKDBSA-N 1 3 319.453 0.785 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018857065 693264543 /nfs/dbraw/zinc/26/45/43/693264543.db2.gz QKDNOMRGSKFYHO-HOCLYGCPSA-N 1 3 317.437 0.452 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001018990644 693310249 /nfs/dbraw/zinc/31/02/49/693310249.db2.gz ODAXXXJRSNGDMF-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001018990644 693310255 /nfs/dbraw/zinc/31/02/55/693310255.db2.gz ODAXXXJRSNGDMF-GJZGRUSLSA-N 1 3 319.453 0.985 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019323085 693432805 /nfs/dbraw/zinc/43/28/05/693432805.db2.gz XPECZOMNLUAMOH-AWEZNQCLSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001019381077 693454603 /nfs/dbraw/zinc/45/46/03/693454603.db2.gz XLMXNSIKLDLFEH-KBPBESRZSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001019381077 693454606 /nfs/dbraw/zinc/45/46/06/693454606.db2.gz XLMXNSIKLDLFEH-KBPBESRZSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001019380969 693454977 /nfs/dbraw/zinc/45/49/77/693454977.db2.gz ULGPYPCFRFUICD-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001019380969 693454981 /nfs/dbraw/zinc/45/49/81/693454981.db2.gz ULGPYPCFRFUICD-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659733 693558555 /nfs/dbraw/zinc/55/85/55/693558555.db2.gz JTPLUFBJKZDQGA-HNNXBMFYSA-N 1 3 317.437 0.515 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172237 693722245 /nfs/dbraw/zinc/72/22/45/693722245.db2.gz SBHYRQJWTPBMIJ-FDYHWXHSSA-N 1 3 323.466 0.924 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172237 693722249 /nfs/dbraw/zinc/72/22/49/693722249.db2.gz SBHYRQJWTPBMIJ-FDYHWXHSSA-N 1 3 323.466 0.924 20 0 DCADHO COCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040869931 694623919 /nfs/dbraw/zinc/62/39/19/694623919.db2.gz RHOYUJOWUIUARR-UHFFFAOYSA-N 1 3 306.410 0.913 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CCCF)CCCO2)CC[N@@H+]1C ZINC001073610880 694751850 /nfs/dbraw/zinc/75/18/50/694751850.db2.gz HAEQZLCZULLEJH-QLFBSQMISA-N 1 3 315.433 0.893 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(CCCF)CCCO2)CC[N@H+]1C ZINC001073610880 694751851 /nfs/dbraw/zinc/75/18/51/694751851.db2.gz HAEQZLCZULLEJH-QLFBSQMISA-N 1 3 315.433 0.893 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)[C@@H]1C)N(C)C ZINC001074885494 694928599 /nfs/dbraw/zinc/92/85/99/694928599.db2.gz HLLGYLBZQQXLPZ-XUXIUFHCSA-N 1 3 310.442 0.136 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)C1=O ZINC001075108894 694938625 /nfs/dbraw/zinc/93/86/25/694938625.db2.gz WFNRUMUDFUWGFX-KKUMJFAQSA-N 1 3 322.453 0.282 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001076589765 695030663 /nfs/dbraw/zinc/03/06/63/695030663.db2.gz NSRIRUKUDURVEG-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001076589765 695030664 /nfs/dbraw/zinc/03/06/64/695030664.db2.gz NSRIRUKUDURVEG-MELADBBJSA-N 1 3 312.458 0.289 20 0 DCADHO CC1(C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001571568991 1162813710 /nfs/dbraw/zinc/81/37/10/1162813710.db2.gz VAXFFPSOYDHJLJ-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO N[C@H]1CCCn2nc(C(=O)NC3(C4CC[NH2+]CC4)CC3)cc21 ZINC001649122264 1158713906 /nfs/dbraw/zinc/71/39/06/1158713906.db2.gz BWFPKOJIVADRIT-LBPRGKRZSA-N 1 3 303.410 0.939 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC[C@@H](C)C1 ZINC001720096037 1158972286 /nfs/dbraw/zinc/97/22/86/1158972286.db2.gz VFLLYCGFLYDSPB-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CN1CC[C@@H](C)C1 ZINC001720096037 1158972289 /nfs/dbraw/zinc/97/22/89/1158972289.db2.gz VFLLYCGFLYDSPB-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NCC2CC2)C1 ZINC001446460766 1159425351 /nfs/dbraw/zinc/42/53/51/1159425351.db2.gz KKGHEOPQCHFVQK-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NCC2CC2)C1 ZINC001446460766 1159425366 /nfs/dbraw/zinc/42/53/66/1159425366.db2.gz KKGHEOPQCHFVQK-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCOCCO)C1 ZINC001566074222 1159959687 /nfs/dbraw/zinc/95/96/87/1159959687.db2.gz DPDLGMXTSUCVBG-AWEZNQCLSA-N 1 3 324.425 0.322 20 0 DCADHO COCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001567054019 1160224355 /nfs/dbraw/zinc/22/43/55/1160224355.db2.gz ISJALFALWAIQIC-SWLSCSKDSA-N 1 3 303.422 0.940 20 0 DCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001567611877 1160441191 /nfs/dbraw/zinc/44/11/91/1160441191.db2.gz XWIDDROSDGNBGK-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCNCc1cnn(C)c1 ZINC001567611877 1160441195 /nfs/dbraw/zinc/44/11/95/1160441195.db2.gz XWIDDROSDGNBGK-HNNXBMFYSA-N 1 3 307.442 0.843 20 0 DCADHO Cc1nc(C)n(CC[NH2+]C[C@@H](C)N(C)C(=O)CN2CCCC2)n1 ZINC001568318431 1160628261 /nfs/dbraw/zinc/62/82/61/1160628261.db2.gz AHMJFZAVPJNONT-CYBMUJFWSA-N 1 3 322.457 0.427 20 0 DCADHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC)N(C)C ZINC001568386491 1160639114 /nfs/dbraw/zinc/63/91/14/1160639114.db2.gz CKKRANALGXELDA-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC ZINC001568398110 1160641368 /nfs/dbraw/zinc/64/13/68/1160641368.db2.gz ODYGRELLWJKUFE-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO Cc1cc(CNCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)ncn1 ZINC001568699291 1160741394 /nfs/dbraw/zinc/74/13/94/1160741394.db2.gz PYOQXFHBMKMFAF-CYBMUJFWSA-N 1 3 317.437 0.865 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001568714807 1160746450 /nfs/dbraw/zinc/74/64/50/1160746450.db2.gz ZCJGSDTWQJVOPN-KGLIPLIRSA-N 1 3 322.457 0.590 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568775603 1160768558 /nfs/dbraw/zinc/76/85/58/1160768558.db2.gz DTCHMAZIQUJHAZ-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1ccnn1C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568775603 1160768563 /nfs/dbraw/zinc/76/85/63/1160768563.db2.gz DTCHMAZIQUJHAZ-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)NC ZINC001568859194 1160822352 /nfs/dbraw/zinc/82/23/52/1160822352.db2.gz YAAJOFNDZRWXBM-QAMKJQMISA-N 1 3 310.442 0.257 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)NC ZINC001568859194 1160822362 /nfs/dbraw/zinc/82/23/62/1160822362.db2.gz YAAJOFNDZRWXBM-QAMKJQMISA-N 1 3 310.442 0.257 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(N)=O ZINC001568970228 1160904090 /nfs/dbraw/zinc/90/40/90/1160904090.db2.gz VPZPBIWOIGIASL-LAYDCRAFSA-N 1 3 310.442 0.387 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC)C(N)=O ZINC001568970228 1160904094 /nfs/dbraw/zinc/90/40/94/1160904094.db2.gz VPZPBIWOIGIASL-LAYDCRAFSA-N 1 3 310.442 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001570363440 1161581859 /nfs/dbraw/zinc/58/18/59/1161581859.db2.gz BLFPPBKMNOWAPN-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)C[C@@H]1CC[NH2+]C1 ZINC001573636516 1163519637 /nfs/dbraw/zinc/51/96/37/1163519637.db2.gz QOOOEWPTRXRQIA-MCIONIFRSA-N 1 3 301.456 0.484 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC001575141667 1163915127 /nfs/dbraw/zinc/91/51/27/1163915127.db2.gz XTZXAMIVNBQVJT-IUODEOHRSA-N 1 3 301.406 0.775 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001576002557 1164206859 /nfs/dbraw/zinc/20/68/59/1164206859.db2.gz BLBQXXRNEFTOEE-CYBMUJFWSA-N 1 3 321.425 0.225 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001576002557 1164206866 /nfs/dbraw/zinc/20/68/66/1164206866.db2.gz BLBQXXRNEFTOEE-CYBMUJFWSA-N 1 3 321.425 0.225 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1cn[nH]n1 ZINC001576478071 1164357166 /nfs/dbraw/zinc/35/71/66/1164357166.db2.gz MUGKAVTXMSCOJQ-UKRRQHHQSA-N 1 3 322.457 0.564 20 0 DCADHO C[C@]1(CN[C@@H]2CCCN(CCN3CCOCC3)C2)CCC[NH2+]C1 ZINC001576519898 1164376450 /nfs/dbraw/zinc/37/64/50/1164376450.db2.gz VSJUCCVVRZZYLF-MSOLQXFVSA-N 1 3 324.513 0.762 20 0 DCADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCc3cn[nH]n3)C[C@H]21 ZINC001576752752 1164451049 /nfs/dbraw/zinc/45/10/49/1164451049.db2.gz VRJVNHRHCXXSRL-DZGCQCFKSA-N 1 3 320.441 0.222 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001576798225 1164468076 /nfs/dbraw/zinc/46/80/76/1164468076.db2.gz OZPADCKMFGREEC-XNRPHZJLSA-N 1 3 308.426 0.243 20 0 DCADHO C[C@@H]1C[N@H+](CCCNC(=O)c2c(CN)cnn2C)CCCO1 ZINC001576806900 1164470791 /nfs/dbraw/zinc/47/07/91/1164470791.db2.gz KTDHQBCKXCFAFB-GFCCVEGCSA-N 1 3 309.414 0.110 20 0 DCADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(CN)cnn2C)CCCO1 ZINC001576806900 1164470795 /nfs/dbraw/zinc/47/07/95/1164470795.db2.gz KTDHQBCKXCFAFB-GFCCVEGCSA-N 1 3 309.414 0.110 20 0 DCADHO CCC[C@H]1CN(c2nnc(C)n2C[C@@H](C)[NH3+])CCN1CCOC ZINC001577379981 1164681280 /nfs/dbraw/zinc/68/12/80/1164681280.db2.gz FCTPXJFLYRTQMS-HIFRSBDPSA-N 1 3 324.473 0.871 20 0 DCADHO CCN(C)c1nnc(C2CC[NH2+]CC2)n1CCN(C)CCOC ZINC001577657403 1164754558 /nfs/dbraw/zinc/75/45/58/1164754558.db2.gz ITRLNDMSODQAPG-UHFFFAOYSA-N 1 3 324.473 0.779 20 0 DCADHO CCN1CCN(CCC(=O)NCC[C@H]2CCC[NH2+]CC2)CC1 ZINC001577778312 1164791511 /nfs/dbraw/zinc/79/15/11/1164791511.db2.gz SITGVRBLGYZMOK-INIZCTEOSA-N 1 3 310.486 0.910 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001578451772 1165022127 /nfs/dbraw/zinc/02/21/27/1165022127.db2.gz NDFVFCOANCQXHU-CHWSQXEVSA-N 1 3 306.414 0.369 20 0 DCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)c1cnnn1C1C[NH2+]C1 ZINC001578529561 1165046178 /nfs/dbraw/zinc/04/61/78/1165046178.db2.gz YZIXPYQSAWLQKY-CYBMUJFWSA-N 1 3 306.414 0.273 20 0 DCADHO CN1CCN(C2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)CC1 ZINC001578533289 1165049513 /nfs/dbraw/zinc/04/95/13/1165049513.db2.gz DMRNBFPIEHETJO-HNNXBMFYSA-N 1 3 309.458 0.145 20 0 DCADHO COC(=O)CCN1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)[C@H](C)C1 ZINC001578807598 1165122662 /nfs/dbraw/zinc/12/26/62/1165122662.db2.gz OHRNCRWJIALQDM-ZIAGYGMSSA-N 1 3 311.426 0.077 20 0 DCADHO COCCN(C)CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCCC1 ZINC001579021015 1165189877 /nfs/dbraw/zinc/18/98/77/1165189877.db2.gz JHTWLGDSJYZNIM-AWEZNQCLSA-N 1 3 322.457 0.881 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C[C@H]1C[NH3+] ZINC001579428990 1165306534 /nfs/dbraw/zinc/30/65/34/1165306534.db2.gz UQXIAAYBXUDIMG-LUYZLQTOSA-N 1 3 319.453 0.509 20 0 DCADHO [NH3+]CCn1cc(C(=O)NC[C@H]2CCN2C2CCCCC2)nn1 ZINC001580320184 1165570471 /nfs/dbraw/zinc/57/04/71/1165570471.db2.gz QYYHWBQAJUFOKT-CYBMUJFWSA-N 1 3 306.414 0.374 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC001580592541 1165648223 /nfs/dbraw/zinc/64/82/23/1165648223.db2.gz ZXKGTOSDGOEPEA-MRXNPFEDSA-N 1 3 303.406 0.866 20 0 DCADHO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](C[C@@]2(O)CCCNC2)C1 ZINC001580722215 1165699823 /nfs/dbraw/zinc/69/98/23/1165699823.db2.gz WBGOQRXSIUOCNU-FUHWJXTLSA-N 1 3 317.433 0.739 20 0 DCADHO O=C(NCc1ccccc1)[C@H]1CC[N@H+](C[C@@]2(O)CCCNC2)C1 ZINC001580722215 1165699828 /nfs/dbraw/zinc/69/98/28/1165699828.db2.gz WBGOQRXSIUOCNU-FUHWJXTLSA-N 1 3 317.433 0.739 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C ZINC001583525876 1166264768 /nfs/dbraw/zinc/26/47/68/1166264768.db2.gz ZPDGRYNLBOFSGI-LRPXVYOUSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC/C=C/CNC(=O)[C@H]1CCCN1C ZINC001583525876 1166264769 /nfs/dbraw/zinc/26/47/69/1166264769.db2.gz ZPDGRYNLBOFSGI-LRPXVYOUSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@@H]([NH3+])C1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589912892 1166717232 /nfs/dbraw/zinc/71/72/32/1166717232.db2.gz LYUCNIGEJVOONJ-IAQYHMDHSA-N 1 3 316.409 0.959 20 0 DCADHO C[C@@H]([NH3+])C1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589912892 1166717240 /nfs/dbraw/zinc/71/72/40/1166717240.db2.gz LYUCNIGEJVOONJ-IAQYHMDHSA-N 1 3 316.409 0.959 20 0 DCADHO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603663020 1169345606 /nfs/dbraw/zinc/34/56/06/1169345606.db2.gz RVYWWHBZJBESPJ-LBPRGKRZSA-N 1 3 301.398 0.423 20 0 DCADHO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603663020 1169345615 /nfs/dbraw/zinc/34/56/15/1169345615.db2.gz RVYWWHBZJBESPJ-LBPRGKRZSA-N 1 3 301.398 0.423 20 0 DCADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001650156353 1171548759 /nfs/dbraw/zinc/54/87/59/1171548759.db2.gz BLOVXCNTEDYNQI-CABCVRRESA-N 1 3 300.443 0.864 20 0 DCADHO C[N@@H+]1CCCC[C@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC001650156353 1171548761 /nfs/dbraw/zinc/54/87/61/1171548761.db2.gz BLOVXCNTEDYNQI-CABCVRRESA-N 1 3 300.443 0.864 20 0 DCADHO C[N@H+]1CCCC[C@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC001650156353 1171548763 /nfs/dbraw/zinc/54/87/63/1171548763.db2.gz BLOVXCNTEDYNQI-CABCVRRESA-N 1 3 300.443 0.864 20 0 DCADHO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001645915888 1172182832 /nfs/dbraw/zinc/18/28/32/1172182832.db2.gz PAPDCTBPYRFWHT-YJNKXOJESA-N 1 3 310.442 0.320 20 0 DCADHO CSCC[C@@H](N)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001646800731 1172540650 /nfs/dbraw/zinc/54/06/50/1172540650.db2.gz VJVCLURAYNQEFZ-VXGBXAGGSA-N 1 3 301.456 0.423 20 0 DCADHO CO[C@@H](C[NH3+])C(=O)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC001646809977 1172544807 /nfs/dbraw/zinc/54/48/07/1172544807.db2.gz JANYYEHXYKNPAK-WWGRRREGSA-N 1 3 319.405 0.469 20 0 DCADHO CCN1CCN(CCC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC001646814701 1172546304 /nfs/dbraw/zinc/54/63/04/1172546304.db2.gz JZPADTNNICMPKY-WBVHZDCISA-N 1 3 308.470 0.744 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC001646955408 1172599974 /nfs/dbraw/zinc/59/99/74/1172599974.db2.gz FRKUKXMPWZGFFY-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC001646955408 1172599976 /nfs/dbraw/zinc/59/99/76/1172599976.db2.gz FRKUKXMPWZGFFY-HUUCEWRRSA-N 1 3 312.458 0.617 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CC2)CC1 ZINC001647359817 1172838225 /nfs/dbraw/zinc/83/82/25/1172838225.db2.gz FWKZCPWPSYNFIO-STQMWFEESA-N 1 3 316.396 0.065 20 0 DCADHO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)c1ccc2c(c1)CNC2 ZINC001647376024 1172850772 /nfs/dbraw/zinc/85/07/72/1172850772.db2.gz UVULJUWLPYZHSC-UHFFFAOYSA-N 1 3 324.388 0.742 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC001647574775 1172978633 /nfs/dbraw/zinc/97/86/33/1172978633.db2.gz HEKWLRMCYSGADY-KLHDSHLOSA-N 1 3 323.485 0.262 20 0 DCADHO [NH3+]CC[C@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001647576430 1172979996 /nfs/dbraw/zinc/97/99/96/1172979996.db2.gz RIIWIMKVDKSEKR-DZGCQCFKSA-N 1 3 310.442 0.620 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001650441232 1173642267 /nfs/dbraw/zinc/64/22/67/1173642267.db2.gz DROFFJVAZRVUSU-CQDKDKBSSA-N 1 3 311.401 0.761 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1)N(C)C ZINC001661653140 1174143294 /nfs/dbraw/zinc/14/32/94/1174143294.db2.gz IBPQTDXBKUUUPY-QNWHQSFQSA-N 1 3 319.396 0.988 20 0 DCADHO NC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663067588 1174260957 /nfs/dbraw/zinc/26/09/57/1174260957.db2.gz WAUFZEVOPWCJRX-LSDHHAIUSA-N 1 3 322.453 0.174 20 0 DCADHO CN(CC[NH2+]CCCO[C@@H]1CCOC1)C(=O)[C@H]1CCCN1C ZINC001663856083 1174362554 /nfs/dbraw/zinc/36/25/54/1174362554.db2.gz OWPKVMHUXWARCA-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001667306962 1174675375 /nfs/dbraw/zinc/67/53/75/1174675375.db2.gz NCUWMCIRANALQI-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO COc1cc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001668310689 1174781569 /nfs/dbraw/zinc/78/15/69/1174781569.db2.gz XYVKRCUVBDUNIM-RYUDHWBXSA-N 1 3 310.398 0.619 20 0 DCADHO COc1cc(CNCC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001668310689 1174781575 /nfs/dbraw/zinc/78/15/75/1174781575.db2.gz XYVKRCUVBDUNIM-RYUDHWBXSA-N 1 3 310.398 0.619 20 0 DCADHO CC[C@H](NC/C=C/CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001669118575 1174896354 /nfs/dbraw/zinc/89/63/54/1174896354.db2.gz OASIUKWLTLVEPF-NFAHFFEMSA-N 1 3 324.469 0.633 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001669207880 1174910719 /nfs/dbraw/zinc/91/07/19/1174910719.db2.gz PWGSOXHTBGDVKC-LRPXVYOUSA-N 1 3 322.453 0.257 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CCCC[NH+]1CCCC1 ZINC001669753209 1174947270 /nfs/dbraw/zinc/94/72/70/1174947270.db2.gz FHIDAWGXZHTKQU-GJZGRUSLSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC)C(N)=O ZINC001670357951 1175007599 /nfs/dbraw/zinc/00/75/99/1175007599.db2.gz XBMLDPCFEGUWHT-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CCOCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001674066728 1175249903 /nfs/dbraw/zinc/24/99/03/1175249903.db2.gz YQFHIRPRQGSFMU-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO CCCN(C)CC(=O)NCC1=CC[N@H+](CCn2cccn2)CC1 ZINC001677623839 1175587328 /nfs/dbraw/zinc/58/73/28/1175587328.db2.gz FBIWBLAQRZPWID-UHFFFAOYSA-N 1 3 319.453 0.973 20 0 DCADHO CCCN(C)CC(=O)NCC1=CC[N@@H+](CCn2cccn2)CC1 ZINC001677623839 1175587336 /nfs/dbraw/zinc/58/73/36/1175587336.db2.gz FBIWBLAQRZPWID-UHFFFAOYSA-N 1 3 319.453 0.973 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001686716686 1176200762 /nfs/dbraw/zinc/20/07/62/1176200762.db2.gz GJMPHDCHDACFKK-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001686716686 1176200768 /nfs/dbraw/zinc/20/07/68/1176200768.db2.gz GJMPHDCHDACFKK-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN1C(=O)CN1CCCC1 ZINC001689546849 1176942355 /nfs/dbraw/zinc/94/23/55/1176942355.db2.gz KVPYASCURADORJ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO COc1cc(CN(C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001689887436 1177103698 /nfs/dbraw/zinc/10/36/98/1177103698.db2.gz BIXZJTZRUDUIPU-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO COc1cc(CN(C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001689887436 1177103702 /nfs/dbraw/zinc/10/37/02/1177103702.db2.gz BIXZJTZRUDUIPU-OAHLLOKOSA-N 1 3 320.437 0.980 20 0 DCADHO C[C@H](CNC(=O)CCCC[NH+](C)C)N[C@@H]1CCCN(C)C1=O ZINC001690639982 1177291685 /nfs/dbraw/zinc/29/16/85/1177291685.db2.gz JEUNFASWQOVKSK-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO COc1nccc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001699160570 1177900900 /nfs/dbraw/zinc/90/09/00/1177900900.db2.gz ACPITOCOHLLWAY-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO COc1nccc(CNCC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001699160570 1177900908 /nfs/dbraw/zinc/90/09/08/1177900908.db2.gz ACPITOCOHLLWAY-OLZOCXBDSA-N 1 3 321.425 0.421 20 0 DCADHO C[C@H](CCC[NH2+]CC(N)=O)NC(=O)C(C)(C)N1CCCCC1 ZINC001700660179 1178695742 /nfs/dbraw/zinc/69/57/42/1178695742.db2.gz YRRXLWOBTDQQSR-CYBMUJFWSA-N 1 3 312.458 0.611 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001705043563 1180239815 /nfs/dbraw/zinc/23/98/15/1180239815.db2.gz SKIYSQMIUCNUTE-NPQIQWPPSA-N 1 3 324.469 0.457 20 0 DCADHO CCN(C)C(C)(C)C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001705043563 1180239820 /nfs/dbraw/zinc/23/98/20/1180239820.db2.gz SKIYSQMIUCNUTE-NPQIQWPPSA-N 1 3 324.469 0.457 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]C[C@@H]2C[C@@]23CCOC3)CCC1 ZINC001713600598 1180957390 /nfs/dbraw/zinc/95/73/90/1180957390.db2.gz SIKYZXBZAQNBSQ-GOEBONIOSA-N 1 3 309.454 0.945 20 0 DCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001714314075 1181317007 /nfs/dbraw/zinc/31/70/07/1181317007.db2.gz BOQSYIFDCSKXPV-HUUCEWRRSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001714705871 1181493262 /nfs/dbraw/zinc/49/32/62/1181493262.db2.gz IBWLQENWBHFNMZ-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NC(C)(C)C)CC[N@H+]1C ZINC001714705871 1181493266 /nfs/dbraw/zinc/49/32/66/1181493266.db2.gz IBWLQENWBHFNMZ-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714780867 1181542830 /nfs/dbraw/zinc/54/28/30/1181542830.db2.gz NOWCUOKISRNJGV-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001714780867 1181542833 /nfs/dbraw/zinc/54/28/33/1181542833.db2.gz NOWCUOKISRNJGV-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001715162694 1181705621 /nfs/dbraw/zinc/70/56/21/1181705621.db2.gz BMKXZYFIVFUFGA-AWEZNQCLSA-N 1 3 310.442 0.045 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H](O)C[NH2+]CCCF)C1 ZINC001715601162 1181887783 /nfs/dbraw/zinc/88/77/83/1181887783.db2.gz NFQCAWJQYKJWOM-IUODEOHRSA-N 1 3 321.412 0.625 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001715830001 1182034684 /nfs/dbraw/zinc/03/46/84/1182034684.db2.gz UJLFOMIXBVZKHC-KXLSMFKISA-N 1 3 324.469 0.455 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715907075 1182092794 /nfs/dbraw/zinc/09/27/94/1182092794.db2.gz IGEVBQBHOPIVNB-LAWSMPECSA-N 1 3 310.442 0.115 20 0 DCADHO CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001715907075 1182092798 /nfs/dbraw/zinc/09/27/98/1182092798.db2.gz IGEVBQBHOPIVNB-LAWSMPECSA-N 1 3 310.442 0.115 20 0 DCADHO CCN(CC[NH2+]CCO)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001716239247 1182272603 /nfs/dbraw/zinc/27/26/03/1182272603.db2.gz GXXUFYLWADINBP-HNNXBMFYSA-N 1 3 303.422 0.629 20 0 DCADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001716568841 1182446809 /nfs/dbraw/zinc/44/68/09/1182446809.db2.gz UVXSBSFYAVGLIV-HNNXBMFYSA-N 1 3 322.453 0.664 20 0 DCADHO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)C(C)(C)N1CCCCC1 ZINC001717050750 1182649356 /nfs/dbraw/zinc/64/93/56/1182649356.db2.gz HEEPCJAWGVKVQW-CQSZACIVSA-N 1 3 315.458 0.042 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001717185525 1182718021 /nfs/dbraw/zinc/71/80/21/1182718021.db2.gz BZHQYQCEAYFLJP-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO C[C@H](F)CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001717322988 1182781213 /nfs/dbraw/zinc/78/12/13/1182781213.db2.gz KFHBZVXEGFGFJD-LBPRGKRZSA-N 1 3 312.389 0.643 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC001723948914 1184364809 /nfs/dbraw/zinc/36/48/09/1184364809.db2.gz DVWVBWMOFALWEK-ZFWWWQNUSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(CCO)CCNCCF)CC1 ZINC001724688743 1184522519 /nfs/dbraw/zinc/52/25/19/1184522519.db2.gz YNJHUAAQRSQYCP-UHFFFAOYSA-N 1 3 303.422 0.487 20 0 DCADHO Cn1cc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001724696615 1184525985 /nfs/dbraw/zinc/52/59/85/1184525985.db2.gz IGOWTXPSCIUZOF-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO CCOCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001724819049 1184572961 /nfs/dbraw/zinc/57/29/61/1184572961.db2.gz HSDIZBAFPPNGKJ-CQSZACIVSA-N 1 3 310.398 0.196 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001725391805 1184801353 /nfs/dbraw/zinc/80/13/53/1184801353.db2.gz VFWIUEDODZAEOA-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO CCNC(=O)CN[C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001725573467 1184891025 /nfs/dbraw/zinc/89/10/25/1184891025.db2.gz FVWBSEOTHVKBPB-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO COCCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001725776468 1184990638 /nfs/dbraw/zinc/99/06/38/1184990638.db2.gz MUPKQKMPQJZYLL-NRXISQOPSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@H](C(=O)NCc1ccc(C[NH2+]CCO)cc1F)N(C)C ZINC001725836531 1185021731 /nfs/dbraw/zinc/02/17/31/1185021731.db2.gz GPWQCCRVRKKYBK-OAHLLOKOSA-N 1 3 311.401 0.864 20 0 DCADHO CC(C)C[NH+]1CCN(CCCNC(=O)CN2CCCC2)CC1 ZINC001731363375 1185295891 /nfs/dbraw/zinc/29/58/91/1185295891.db2.gz XTGYTSCIWTUKIZ-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CCNCC(=O)N(C)C(C)C)[NH+](C)C ZINC001731951154 1185600985 /nfs/dbraw/zinc/60/09/85/1185600985.db2.gz XQXQOTOGJBKUJH-OAHLLOKOSA-N 1 3 314.474 0.487 20 0 DCADHO CCN(CC[NH2+]CCCc1nc(C)no1)C(=O)[C@H]1CCCN1C ZINC001732766531 1185956757 /nfs/dbraw/zinc/95/67/57/1185956757.db2.gz DUTREZDSZSQROZ-CQSZACIVSA-N 1 3 323.441 0.843 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCn2cncn2)C1 ZINC001733126096 1186151280 /nfs/dbraw/zinc/15/12/80/1186151280.db2.gz BXYRLHFQIIGJAL-CQSZACIVSA-N 1 3 308.430 0.058 20 0 DCADHO Cc1cnc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001733144591 1186162036 /nfs/dbraw/zinc/16/20/36/1186162036.db2.gz VQBHAGMQZZRBNS-AWEZNQCLSA-N 1 3 305.426 0.675 20 0 DCADHO Cc1cnc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001733144591 1186162039 /nfs/dbraw/zinc/16/20/39/1186162039.db2.gz VQBHAGMQZZRBNS-AWEZNQCLSA-N 1 3 305.426 0.675 20 0 DCADHO O=C(C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1)NC1CC1 ZINC001733679086 1186397488 /nfs/dbraw/zinc/39/74/88/1186397488.db2.gz WDECQMVFMQAFTF-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001733735778 1186421549 /nfs/dbraw/zinc/42/15/49/1186421549.db2.gz SVUHUPRDOTXAIA-KGLIPLIRSA-N 1 3 301.406 0.646 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCCF)C1 ZINC001733735778 1186421550 /nfs/dbraw/zinc/42/15/50/1186421550.db2.gz SVUHUPRDOTXAIA-KGLIPLIRSA-N 1 3 301.406 0.646 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNC/C=C/Cl)C2)C1 ZINC001733749055 1186430570 /nfs/dbraw/zinc/43/05/70/1186430570.db2.gz FLGOSAFGIKREKN-LJJWDDLZSA-N 1 3 315.845 0.898 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@H](CNC/C=C/Cl)C2)C1 ZINC001733749055 1186430576 /nfs/dbraw/zinc/43/05/76/1186430576.db2.gz FLGOSAFGIKREKN-LJJWDDLZSA-N 1 3 315.845 0.898 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNC/C=C/Cl)CC[N@@H+]1C ZINC001734517458 1186672669 /nfs/dbraw/zinc/67/26/69/1186672669.db2.gz BQCBTCKOVHPGKW-PMAJKYRGSA-N 1 3 317.861 0.878 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)CNC/C=C/Cl)CC[N@H+]1C ZINC001734517458 1186672671 /nfs/dbraw/zinc/67/26/71/1186672671.db2.gz BQCBTCKOVHPGKW-PMAJKYRGSA-N 1 3 317.861 0.878 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001737217417 1187288095 /nfs/dbraw/zinc/28/80/95/1187288095.db2.gz CGMKIUNXYFWBHJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001737217417 1187288098 /nfs/dbraw/zinc/28/80/98/1187288098.db2.gz CGMKIUNXYFWBHJ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCN2CCCC2=O)CCC1 ZINC001753196127 1188531120 /nfs/dbraw/zinc/53/11/20/1188531120.db2.gz DAGPLBACOOGERY-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CCCCCF)C1 ZINC001755009319 1188994566 /nfs/dbraw/zinc/99/45/66/1188994566.db2.gz JAEAYBYBBOCYLP-CQSZACIVSA-N 1 3 312.389 0.909 20 0 DCADHO COCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001755443771 1189113878 /nfs/dbraw/zinc/11/38/78/1189113878.db2.gz DAPDWROJVXHBBE-HIFRSBDPSA-N 1 3 324.425 0.584 20 0 DCADHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC(N)=O ZINC001771912044 1190551947 /nfs/dbraw/zinc/55/19/47/1190551947.db2.gz XDTACZDUXCKRAK-CHWSQXEVSA-N 1 3 307.394 0.919 20 0 DCADHO [NH3+][C@@]1(CO)CCCN(C(=O)c2ccc3c(c2)OCCNC3)C1 ZINC001772281688 1190652819 /nfs/dbraw/zinc/65/28/19/1190652819.db2.gz WVEJZQFDVRINBP-INIZCTEOSA-N 1 3 305.378 0.094 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)CC[N@H+](C)CC ZINC001575341927 1163982367 /nfs/dbraw/zinc/98/23/67/1163982367.db2.gz WFPTZFMDNXITRE-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)CC[N@@H+](C)CC ZINC001575341927 1163982376 /nfs/dbraw/zinc/98/23/76/1163982376.db2.gz WFPTZFMDNXITRE-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CC1(C)OCC(CO)(NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CO1 ZINC001576495334 1164365636 /nfs/dbraw/zinc/36/56/36/1164365636.db2.gz OHHZUQWEAQKCKS-ZDUSSCGKSA-N 1 3 314.426 0.249 20 0 DCADHO COCC[N@@H+]1CCO[C@H]2CN(c3cccc(N)n3)CC[C@H]2C1 ZINC001164854726 720843579 /nfs/dbraw/zinc/84/35/79/720843579.db2.gz RWGMKPZYWLYIKR-KBPBESRZSA-N 1 3 306.410 0.837 20 0 DCADHO COCC[N@H+]1CCO[C@H]2CN(c3cccc(N)n3)CC[C@H]2C1 ZINC001164854726 720843581 /nfs/dbraw/zinc/84/35/81/720843581.db2.gz RWGMKPZYWLYIKR-KBPBESRZSA-N 1 3 306.410 0.837 20 0 DCADHO C[C@@H]1COCCN1CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001576852728 1164494519 /nfs/dbraw/zinc/49/45/19/1164494519.db2.gz FFWAKXXIJAMLRA-CABCVRRESA-N 1 3 312.458 0.027 20 0 DCADHO CC1(C)CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)N(CCO)C1 ZINC001089641527 751501410 /nfs/dbraw/zinc/50/14/10/751501410.db2.gz OESZXBZSLNBZDT-HOTGVXAUSA-N 1 3 323.481 0.927 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C1 ZINC001106910977 751555038 /nfs/dbraw/zinc/55/50/38/751555038.db2.gz YQDYCTPYRUJYBI-ZIAGYGMSSA-N 1 3 312.458 0.148 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659743 751610258 /nfs/dbraw/zinc/61/02/58/751610258.db2.gz JBGGQKQZJQZNKS-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127659743 751610261 /nfs/dbraw/zinc/61/02/61/751610261.db2.gz JBGGQKQZJQZNKS-BFHYXJOUSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(CC)C2=O)CC[N@@H+]1C ZINC001127701661 751646058 /nfs/dbraw/zinc/64/60/58/751646058.db2.gz UINBZNOPDPRBJA-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCN(CC)C2=O)CC[N@H+]1C ZINC001127701661 751646063 /nfs/dbraw/zinc/64/60/63/751646063.db2.gz UINBZNOPDPRBJA-MELADBBJSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)n2)[C@H](C)C1 ZINC001107038736 751785090 /nfs/dbraw/zinc/78/50/90/751785090.db2.gz FPOBHKPJANWFIS-HUUCEWRRSA-N 1 3 321.469 0.944 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001127780433 752069263 /nfs/dbraw/zinc/06/92/63/752069263.db2.gz YWGYJFNOJWFPCF-HZPDHXFCSA-N 1 3 318.421 0.459 20 0 DCADHO Cc1cncc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001127780433 752069270 /nfs/dbraw/zinc/06/92/70/752069270.db2.gz YWGYJFNOJWFPCF-HZPDHXFCSA-N 1 3 318.421 0.459 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@H+](CCO)CC3)C1 ZINC001107550200 752107879 /nfs/dbraw/zinc/10/78/79/752107879.db2.gz PQZHNODYIAYLBH-BFYDXBDKSA-N 1 3 309.454 0.681 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CCO)CC3)C1 ZINC001107550200 752107881 /nfs/dbraw/zinc/10/78/81/752107881.db2.gz PQZHNODYIAYLBH-BFYDXBDKSA-N 1 3 309.454 0.681 20 0 DCADHO CC[C@H]([NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1)C(N)=O ZINC001167232622 747031881 /nfs/dbraw/zinc/03/18/81/747031881.db2.gz KJTXTOMNBDNPKU-KBPBESRZSA-N 1 3 324.469 0.468 20 0 DCADHO COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167626486 747436547 /nfs/dbraw/zinc/43/65/47/747436547.db2.gz CGFGJQTTWODQCZ-LSDHHAIUSA-N 1 3 315.458 0.353 20 0 DCADHO COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104729343 747843488 /nfs/dbraw/zinc/84/34/88/747843488.db2.gz SWXNTSSEKQBRFA-UMVBOHGHSA-N 1 3 324.425 0.034 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C1 ZINC001105064186 748017936 /nfs/dbraw/zinc/01/79/36/748017936.db2.gz BHISYWXIFRMKLD-MGPQQGTHSA-N 1 3 312.458 0.275 20 0 DCADHO CC[C@@H](C)CNCc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320832 748129687 /nfs/dbraw/zinc/12/96/87/748129687.db2.gz LQOFTYRRRGZOQX-CYBMUJFWSA-N 1 3 322.457 0.749 20 0 DCADHO CN1C[C@@H]2CCCN(S(=O)(=O)CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001239097968 752245283 /nfs/dbraw/zinc/24/52/83/752245283.db2.gz UKFZXTNDVFRQCB-UONOGXRCSA-N 1 3 301.456 0.342 20 0 DCADHO CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077680817 752291597 /nfs/dbraw/zinc/29/15/97/752291597.db2.gz XQKRLPFLGKEFAN-IAGOWNOFSA-N 1 3 319.449 0.976 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1CCn1cccn1 ZINC001087828354 749070690 /nfs/dbraw/zinc/07/06/90/749070690.db2.gz IXMPVDAHFOCERY-HRCADAONSA-N 1 3 319.453 0.804 20 0 DCADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1CCn1cccn1 ZINC001087828354 749070695 /nfs/dbraw/zinc/07/06/95/749070695.db2.gz IXMPVDAHFOCERY-HRCADAONSA-N 1 3 319.453 0.804 20 0 DCADHO CC(C)CNCc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098715179 749201224 /nfs/dbraw/zinc/20/12/24/749201224.db2.gz CFKVXDMPJXXLDW-HNNXBMFYSA-N 1 3 322.457 0.749 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106700 749241588 /nfs/dbraw/zinc/24/15/88/749241588.db2.gz MXWOGDMZYNTQBP-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106700 749241593 /nfs/dbraw/zinc/24/15/93/749241593.db2.gz MXWOGDMZYNTQBP-OAGGEKHMSA-N 1 3 309.454 0.755 20 0 DCADHO C[NH+](C)CCC(=O)NCC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059677488 749459104 /nfs/dbraw/zinc/45/91/04/749459104.db2.gz ARMNUGMMGDEFQI-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001100904960 749538841 /nfs/dbraw/zinc/53/88/41/749538841.db2.gz PKKSOORJUNKLKO-HSBZDZAISA-N 1 3 312.458 0.289 20 0 DCADHO COC[C@@H](O)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168346150 749926971 /nfs/dbraw/zinc/92/69/71/749926971.db2.gz UWSJXJRIPHKJHM-AWEZNQCLSA-N 1 3 315.458 0.210 20 0 DCADHO O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001083563536 750201595 /nfs/dbraw/zinc/20/15/95/750201595.db2.gz UPNMSUPEDCIGIY-CVEARBPZSA-N 1 3 321.465 0.824 20 0 DCADHO c1cc(-c2noc(CC[C@@H]3COCCN3)n2)nc2c1C[NH2+]CC2 ZINC001212189907 750719429 /nfs/dbraw/zinc/71/94/29/750719429.db2.gz QJPWMVBKAUDQQL-GFCCVEGCSA-N 1 3 315.377 0.698 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254631 750929040 /nfs/dbraw/zinc/92/90/40/750929040.db2.gz GBSNQSNRRYYOIM-KGLIPLIRSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127254631 750929044 /nfs/dbraw/zinc/92/90/44/750929044.db2.gz GBSNQSNRRYYOIM-KGLIPLIRSA-N 1 3 305.426 0.500 20 0 DCADHO C[NH2+]C1CC(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001121917360 750942604 /nfs/dbraw/zinc/94/26/04/750942604.db2.gz STBANGPRPQMCHE-JXQTWKCFSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1ccn(C)n1 ZINC001106622918 751206949 /nfs/dbraw/zinc/20/69/49/751206949.db2.gz XQCLSJWUWQDGTJ-ZIAGYGMSSA-N 1 3 307.442 0.556 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106663057 751219534 /nfs/dbraw/zinc/21/95/34/751219534.db2.gz PPRMQAJMWGXNTA-QLFBSQMISA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCOCCO)[C@H](C)C1 ZINC001106783796 751276568 /nfs/dbraw/zinc/27/65/68/751276568.db2.gz WYMZWUDOACJVBU-HUUCEWRRSA-N 1 3 315.458 0.021 20 0 DCADHO C[C@H]1C[C@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCCC1 ZINC001044857416 752903919 /nfs/dbraw/zinc/90/39/19/752903919.db2.gz JFMLAWWTNSAGDZ-JKSUJKDBSA-N 1 3 319.453 0.948 20 0 DCADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045126708 753054616 /nfs/dbraw/zinc/05/46/16/753054616.db2.gz ANMMPQXWWRVRKL-LPMVOBIJSA-N 1 3 319.449 0.840 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cncn1C)N(C)C ZINC001045205551 753090936 /nfs/dbraw/zinc/09/09/36/753090936.db2.gz PCMVWGJSCVTUTA-ZFWWWQNUSA-N 1 3 307.442 0.841 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078174260 753091212 /nfs/dbraw/zinc/09/12/12/753091212.db2.gz GQOQKDCDZICDOQ-BRWVUGGUSA-N 1 3 321.465 0.990 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@H]2O)C1 ZINC001078174260 753091219 /nfs/dbraw/zinc/09/12/19/753091219.db2.gz GQOQKDCDZICDOQ-BRWVUGGUSA-N 1 3 321.465 0.990 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001046010074 753412560 /nfs/dbraw/zinc/41/25/60/753412560.db2.gz HVSVLYYTZKLQNG-IAGOWNOFSA-N 1 3 320.481 0.709 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001046010074 753412562 /nfs/dbraw/zinc/41/25/62/753412562.db2.gz HVSVLYYTZKLQNG-IAGOWNOFSA-N 1 3 320.481 0.709 20 0 DCADHO C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCN(CCn2cccn2)C1 ZINC001046777893 753941227 /nfs/dbraw/zinc/94/12/27/753941227.db2.gz YQRLVSRHTYOTTM-INIZCTEOSA-N 1 3 317.437 0.560 20 0 DCADHO COC(=O)c1c(Cl)ncnc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168736417 753984862 /nfs/dbraw/zinc/98/48/62/753984862.db2.gz LSVOIAYHKILOFA-UHFFFAOYSA-N 1 3 312.761 0.511 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001168748257 754108105 /nfs/dbraw/zinc/10/81/05/754108105.db2.gz YHOIWKLNKZJSCZ-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CC1CCN(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)CC1 ZINC001047165578 754114363 /nfs/dbraw/zinc/11/43/63/754114363.db2.gz RKAYYPGQZWHHMO-XHSDSOJGSA-N 1 3 309.454 0.680 20 0 DCADHO CC1CCN(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)CC1 ZINC001047165578 754114366 /nfs/dbraw/zinc/11/43/66/754114366.db2.gz RKAYYPGQZWHHMO-XHSDSOJGSA-N 1 3 309.454 0.680 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)CC[N@@H+]1C ZINC001047385159 754233073 /nfs/dbraw/zinc/23/30/73/754233073.db2.gz ARFFXAAUJDIRRI-MQYQWHSLSA-N 1 3 301.406 0.190 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(CCCF)C[C@@H]2O)CC[N@H+]1C ZINC001047385159 754233076 /nfs/dbraw/zinc/23/30/76/754233076.db2.gz ARFFXAAUJDIRRI-MQYQWHSLSA-N 1 3 301.406 0.190 20 0 DCADHO C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063727 754598178 /nfs/dbraw/zinc/59/81/78/754598178.db2.gz FTAJKSCQCJAUHH-KBPBESRZSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048066731 754598952 /nfs/dbraw/zinc/59/89/52/754598952.db2.gz PHIBGEJZDBHLAO-CABCVRRESA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048563296 754807793 /nfs/dbraw/zinc/80/77/93/754807793.db2.gz WZHFIUGTVOERBT-RMEBNNNOSA-N 1 3 322.453 0.029 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001048563296 754807795 /nfs/dbraw/zinc/80/77/95/754807795.db2.gz WZHFIUGTVOERBT-RMEBNNNOSA-N 1 3 322.453 0.029 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1)C1CCC1 ZINC001048865144 754986037 /nfs/dbraw/zinc/98/60/37/754986037.db2.gz WIXHQMJLYMWDNL-OAGGEKHMSA-N 1 3 321.465 0.897 20 0 DCADHO CN(CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1)C1CCC1 ZINC001048865144 754986039 /nfs/dbraw/zinc/98/60/39/754986039.db2.gz WIXHQMJLYMWDNL-OAGGEKHMSA-N 1 3 321.465 0.897 20 0 DCADHO CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943937 755032235 /nfs/dbraw/zinc/03/22/35/755032235.db2.gz KDXKETCEGIHLHL-SYGRHNPNSA-N 1 3 319.449 0.648 20 0 DCADHO CC(C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943937 755032241 /nfs/dbraw/zinc/03/22/41/755032241.db2.gz KDXKETCEGIHLHL-SYGRHNPNSA-N 1 3 319.449 0.648 20 0 DCADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001049037892 755087401 /nfs/dbraw/zinc/08/74/01/755087401.db2.gz BEOKVNBGEKWFLS-BYNSBNAKSA-N 1 3 324.469 0.097 20 0 DCADHO CC[C@H](F)CN(CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467562 762364237 /nfs/dbraw/zinc/36/42/37/762364237.db2.gz IYOLZQNTXRLHOE-AWEZNQCLSA-N 1 3 317.449 0.972 20 0 DCADHO CC(C)N(C)CC(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1 ZINC001063346976 755156434 /nfs/dbraw/zinc/15/64/34/755156434.db2.gz YMKMZXVMSUJNNK-UHFFFAOYSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCOC[C@H]1CCCO1 ZINC001168763549 755190456 /nfs/dbraw/zinc/19/04/56/755190456.db2.gz PKZZIXNMSWKBNR-OAHLLOKOSA-N 1 3 315.458 0.620 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097218842 755624386 /nfs/dbraw/zinc/62/43/86/755624386.db2.gz KZYVCMZKCXIOBA-JJXSEGSLSA-N 1 3 309.454 0.963 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097218842 755624389 /nfs/dbraw/zinc/62/43/89/755624389.db2.gz KZYVCMZKCXIOBA-JJXSEGSLSA-N 1 3 309.454 0.963 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001111450204 755670595 /nfs/dbraw/zinc/67/05/95/755670595.db2.gz ZPZKQVGMLPMXQK-OAGGEKHMSA-N 1 3 309.454 0.966 20 0 DCADHO COCCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188513 756123970 /nfs/dbraw/zinc/12/39/70/756123970.db2.gz JKNPULLWSWJGHU-FVQBIDKESA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080783612 756338271 /nfs/dbraw/zinc/33/82/71/756338271.db2.gz XXTQPXXMQNRMBD-QLFBSQMISA-N 1 3 320.441 0.056 20 0 DCADHO C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080783612 756338278 /nfs/dbraw/zinc/33/82/78/756338278.db2.gz XXTQPXXMQNRMBD-QLFBSQMISA-N 1 3 320.441 0.056 20 0 DCADHO C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097976114 756724397 /nfs/dbraw/zinc/72/43/97/756724397.db2.gz UUVMEBVCTBZZEK-XZDPQHSOSA-N 1 3 309.454 0.821 20 0 DCADHO CO[C@@H]1CN(CC[C@@H](C)F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082095787 756921742 /nfs/dbraw/zinc/92/17/42/756921742.db2.gz ISFGLQDBKSHGFL-BPLDGKMQSA-N 1 3 315.433 0.892 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083961742 757590941 /nfs/dbraw/zinc/59/09/41/757590941.db2.gz IFFNIIADADTEDO-OCCSQVGLSA-N 1 3 310.373 0.282 20 0 DCADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083961742 757590951 /nfs/dbraw/zinc/59/09/51/757590951.db2.gz IFFNIIADADTEDO-OCCSQVGLSA-N 1 3 310.373 0.282 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084053669 757641221 /nfs/dbraw/zinc/64/12/21/757641221.db2.gz GQOQKDCDZICDOQ-ZACQAIPSSA-N 1 3 321.465 0.990 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CCC3=CCCCC3)C[C@@H]2O)C1 ZINC001084053669 757641224 /nfs/dbraw/zinc/64/12/24/757641224.db2.gz GQOQKDCDZICDOQ-ZACQAIPSSA-N 1 3 321.465 0.990 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CC[N@@H+]1C ZINC001084357172 757799037 /nfs/dbraw/zinc/79/90/37/757799037.db2.gz MWLFJXJFYJFXLP-QKPAOTATSA-N 1 3 309.454 0.632 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)CC[N@H+]1C ZINC001084357172 757799040 /nfs/dbraw/zinc/79/90/40/757799040.db2.gz MWLFJXJFYJFXLP-QKPAOTATSA-N 1 3 309.454 0.632 20 0 DCADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CCCO)CC2)C1CC1 ZINC001050544726 757822986 /nfs/dbraw/zinc/82/29/86/757822986.db2.gz VHJHWPRKBDBXFH-HNNXBMFYSA-N 1 3 309.454 0.633 20 0 DCADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+]([C@@H](CC)C(N)=O)CC2)N(C)C ZINC001050565164 757849085 /nfs/dbraw/zinc/84/90/85/757849085.db2.gz WZBPQWGCEQSYPT-UONOGXRCSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCCO)CC3)C1 ZINC001050662558 757940522 /nfs/dbraw/zinc/94/05/22/757940522.db2.gz KIPUCPCBYCXGAQ-OAHLLOKOSA-N 1 3 309.454 0.635 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cncn2C)C1)N(C)C ZINC001051832748 758976982 /nfs/dbraw/zinc/97/69/82/758976982.db2.gz YBJQNMAQYQRSKI-GJZGRUSLSA-N 1 3 323.441 0.077 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CC2CCOCC2)C1 ZINC001051848060 758986904 /nfs/dbraw/zinc/98/69/04/758986904.db2.gz JIENNGHZOZDJSY-OAHLLOKOSA-N 1 3 322.409 0.196 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001147886342 767863554 /nfs/dbraw/zinc/86/35/54/767863554.db2.gz UVBPZFAFFPPZSJ-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NC2CCCC2)C1 ZINC001147886342 767863561 /nfs/dbraw/zinc/86/35/61/767863561.db2.gz UVBPZFAFFPPZSJ-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001147884968 767874294 /nfs/dbraw/zinc/87/42/94/767874294.db2.gz ITEMMJGMFDWAGN-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001147884968 767874301 /nfs/dbraw/zinc/87/43/01/767874301.db2.gz ITEMMJGMFDWAGN-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001147900226 767878381 /nfs/dbraw/zinc/87/83/81/767878381.db2.gz KGIOCXZVFZRWCS-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001147900226 767878390 /nfs/dbraw/zinc/87/83/90/767878390.db2.gz KGIOCXZVFZRWCS-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001147899853 767878473 /nfs/dbraw/zinc/87/84/73/767878473.db2.gz AOSZUQHSUBDFOO-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147899853 767878479 /nfs/dbraw/zinc/87/84/79/767878479.db2.gz AOSZUQHSUBDFOO-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086271539 759930875 /nfs/dbraw/zinc/93/08/75/759930875.db2.gz CMCXNJUOXURINA-MCIONIFRSA-N 1 3 320.441 0.234 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086271539 759930883 /nfs/dbraw/zinc/93/08/83/759930883.db2.gz CMCXNJUOXURINA-MCIONIFRSA-N 1 3 320.441 0.234 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC001086272048 759931561 /nfs/dbraw/zinc/93/15/61/759931561.db2.gz SPFXNGDKXIXTJB-SOUVJXGZSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1cc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001086272048 759931566 /nfs/dbraw/zinc/93/15/66/759931566.db2.gz SPFXNGDKXIXTJB-SOUVJXGZSA-N 1 3 317.437 0.721 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001066496201 760054238 /nfs/dbraw/zinc/05/42/38/760054238.db2.gz FSMCTAKMWAKAJW-CYBMUJFWSA-N 1 3 321.425 0.401 20 0 DCADHO [NH3+]Cc1cccc(-c2nnn(-c3ncc4c(n3)CNCC4)n2)c1 ZINC001168876612 760493252 /nfs/dbraw/zinc/49/32/52/760493252.db2.gz IATRRFIBOSUWHD-UHFFFAOYSA-N 1 3 308.349 0.224 20 0 DCADHO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2c(c1)COC21CNC1 ZINC001169076355 760575767 /nfs/dbraw/zinc/57/57/67/760575767.db2.gz PUOSFBMCEYKNNU-GFCCVEGCSA-N 1 3 300.362 0.063 20 0 DCADHO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1CCCN(C(C)=O)C1 ZINC001169614962 760769475 /nfs/dbraw/zinc/76/94/75/760769475.db2.gz LKFPSSCUQWAAQZ-OAHLLOKOSA-N 1 3 313.442 0.814 20 0 DCADHO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1CCCN(C(C)=O)C1 ZINC001169614962 760769478 /nfs/dbraw/zinc/76/94/78/760769478.db2.gz LKFPSSCUQWAAQZ-OAHLLOKOSA-N 1 3 313.442 0.814 20 0 DCADHO COC(=O)CC[N@H+](CCCN(C)C)[C@H]1CCCN(C(C)=O)C1 ZINC001169614961 760770104 /nfs/dbraw/zinc/77/01/04/760770104.db2.gz LKFPSSCUQWAAQZ-HNNXBMFYSA-N 1 3 313.442 0.814 20 0 DCADHO COC(=O)CC[N@@H+](CCCN(C)C)[C@H]1CCCN(C(C)=O)C1 ZINC001169614961 760770111 /nfs/dbraw/zinc/77/01/11/760770111.db2.gz LKFPSSCUQWAAQZ-HNNXBMFYSA-N 1 3 313.442 0.814 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001100126237 761050330 /nfs/dbraw/zinc/05/03/30/761050330.db2.gz DPAOWLHWMNFUIN-LSDHHAIUSA-N 1 3 315.433 0.773 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N[C@@H](C)CC ZINC001148577979 768019486 /nfs/dbraw/zinc/01/94/86/768019486.db2.gz MCKZMIHAIKQCDA-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)N[C@@H](C)CC ZINC001148577979 768019490 /nfs/dbraw/zinc/01/94/90/768019490.db2.gz MCKZMIHAIKQCDA-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](C)O)C1 ZINC001112548466 761690213 /nfs/dbraw/zinc/69/02/13/761690213.db2.gz AUPNCLXTUPJCMX-ZOBUZTSGSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1cnn(C)c1 ZINC001129411232 762931094 /nfs/dbraw/zinc/93/10/94/762931094.db2.gz XWGGASJHCKTJMH-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1cnn(C)c1 ZINC001129411232 762931098 /nfs/dbraw/zinc/93/10/98/762931098.db2.gz XWGGASJHCKTJMH-OAHLLOKOSA-N 1 3 307.442 0.889 20 0 DCADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)C1CCCCC1)C1CC1 ZINC001129443090 762945247 /nfs/dbraw/zinc/94/52/47/762945247.db2.gz HWVLUZLCDPSIED-HOTGVXAUSA-N 1 3 311.470 0.974 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001129855428 763025080 /nfs/dbraw/zinc/02/50/80/763025080.db2.gz CZKWEKZMLYYBNM-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001129855428 763025084 /nfs/dbraw/zinc/02/50/84/763025084.db2.gz CZKWEKZMLYYBNM-OAHLLOKOSA-N 1 3 324.469 0.625 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856351 763026232 /nfs/dbraw/zinc/02/62/32/763026232.db2.gz PSNHLKYVIZSJFV-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856351 763026236 /nfs/dbraw/zinc/02/62/36/763026236.db2.gz PSNHLKYVIZSJFV-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C)[NH+](C)C ZINC001129950713 763055409 /nfs/dbraw/zinc/05/54/09/763055409.db2.gz XKJWUOBFENUOCC-STQMWFEESA-N 1 3 314.474 0.582 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)C(=O)N(C)C(C)C)[NH+](C)C ZINC001129949375 763054800 /nfs/dbraw/zinc/05/48/00/763054800.db2.gz BWJBAGLGYKPVJT-KGLIPLIRSA-N 1 3 314.474 0.534 20 0 DCADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137125 763144643 /nfs/dbraw/zinc/14/46/43/763144643.db2.gz KDCXBWIAMQVZSD-CABCVRRESA-N 1 3 322.457 0.760 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186354 763163340 /nfs/dbraw/zinc/16/33/40/763163340.db2.gz GQYWNAIUJSBFPD-UKRRQHHQSA-N 1 3 305.426 0.643 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186354 763163343 /nfs/dbraw/zinc/16/33/43/763163343.db2.gz GQYWNAIUJSBFPD-UKRRQHHQSA-N 1 3 305.426 0.643 20 0 DCADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CCCC1)N(C)C ZINC001130201217 763184240 /nfs/dbraw/zinc/18/42/40/763184240.db2.gz YDRFDOWGQNWJLD-GXTWGEPZSA-N 1 3 312.458 0.480 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1O ZINC001100081078 763291468 /nfs/dbraw/zinc/29/14/68/763291468.db2.gz PAMLRFOZCFOBEX-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1O ZINC001100081078 763291478 /nfs/dbraw/zinc/29/14/78/763291478.db2.gz PAMLRFOZCFOBEX-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO COCCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131295 763337821 /nfs/dbraw/zinc/33/78/21/763337821.db2.gz ASRSJMJMMCJPHR-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO COCCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100131295 763337830 /nfs/dbraw/zinc/33/78/30/763337830.db2.gz ASRSJMJMMCJPHR-CABCVRRESA-N 1 3 315.458 0.305 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622642 763405223 /nfs/dbraw/zinc/40/52/23/763405223.db2.gz SNKKQGPKJIDCIV-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622642 763405227 /nfs/dbraw/zinc/40/52/27/763405227.db2.gz SNKKQGPKJIDCIV-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccnn2C)C1)C1CC1 ZINC001100407811 763558226 /nfs/dbraw/zinc/55/82/26/763558226.db2.gz KTNSQGKNLUDOGG-PXCJXSSVSA-N 1 3 319.453 0.745 20 0 DCADHO C[C@@H](NC1CC(CNC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001100637370 763696341 /nfs/dbraw/zinc/69/63/41/763696341.db2.gz OWRZVNJUTUXKFV-IYXRBSQSSA-N 1 3 305.426 0.974 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCOCCOC)C1 ZINC001100901928 763847282 /nfs/dbraw/zinc/84/72/82/763847282.db2.gz VUFASRZZKVPCKO-UHFFFAOYSA-N 1 3 315.458 0.476 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001101036058 763930644 /nfs/dbraw/zinc/93/06/44/763930644.db2.gz HPLKWVPCZFAVSN-YMAMQOFZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)N(C)C ZINC001131790640 764014522 /nfs/dbraw/zinc/01/45/22/764014522.db2.gz ROWCEYBARSNDMO-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786635 764033259 /nfs/dbraw/zinc/03/32/59/764033259.db2.gz ZDXXXCLMCJTNLR-OAHLLOKOSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](NCCNC(=O)CC[N@H+](C)C1CCCCC1)C(N)=O ZINC001131822920 764045648 /nfs/dbraw/zinc/04/56/48/764045648.db2.gz XWWRKZMPODXQGY-CQSZACIVSA-N 1 3 312.458 0.611 20 0 DCADHO CC[C@@H](NCCNC(=O)CC[N@@H+](C)C1CCCCC1)C(N)=O ZINC001131822920 764045652 /nfs/dbraw/zinc/04/56/52/764045652.db2.gz XWWRKZMPODXQGY-CQSZACIVSA-N 1 3 312.458 0.611 20 0 DCADHO CCN(C)C(=O)CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131834523 764069947 /nfs/dbraw/zinc/06/99/47/764069947.db2.gz AQTATYXOWSOVFF-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418584 764089109 /nfs/dbraw/zinc/08/91/09/764089109.db2.gz ZHEPBKYQXOFHCP-CPUCHLNUSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418584 764089118 /nfs/dbraw/zinc/08/91/18/764089118.db2.gz ZHEPBKYQXOFHCP-CPUCHLNUSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098477917 764169748 /nfs/dbraw/zinc/16/97/48/764169748.db2.gz OATWBAAQPXKKEF-CQSZACIVSA-N 1 3 315.433 0.583 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(CCO)CCF)CC2)C1 ZINC001098477917 764169756 /nfs/dbraw/zinc/16/97/56/764169756.db2.gz OATWBAAQPXKKEF-CQSZACIVSA-N 1 3 315.433 0.583 20 0 DCADHO COCCOCCN1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132273565 764355211 /nfs/dbraw/zinc/35/52/11/764355211.db2.gz HCFQDNGPAZXGOC-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@H](NC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001132287568 764364129 /nfs/dbraw/zinc/36/41/29/764364129.db2.gz ZXRXHJNBIQCQFK-ZDUSSCGKSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CN1CCO ZINC001132405873 764442315 /nfs/dbraw/zinc/44/23/15/764442315.db2.gz ARBSGXLQGVQMOO-UONOGXRCSA-N 1 3 313.442 0.059 20 0 DCADHO CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046259 764506306 /nfs/dbraw/zinc/50/63/06/764506306.db2.gz UYTQGPOEKKNPNK-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102046259 764506311 /nfs/dbraw/zinc/50/63/11/764506311.db2.gz UYTQGPOEKKNPNK-HZSPNIEDSA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C)N(C)C ZINC001102085985 764520195 /nfs/dbraw/zinc/52/01/95/764520195.db2.gz LDVBYTSSAGIIBE-FVQBIDKESA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C)N(C)C ZINC001102085985 764520200 /nfs/dbraw/zinc/52/02/00/764520200.db2.gz LDVBYTSSAGIIBE-FVQBIDKESA-N 1 3 321.469 0.944 20 0 DCADHO C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102215397 764555121 /nfs/dbraw/zinc/55/51/21/764555121.db2.gz PBHVUWCEDLRYHG-QLFBSQMISA-N 1 3 311.470 0.926 20 0 DCADHO C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCC2)[C@H](C)C1 ZINC001102215397 764555130 /nfs/dbraw/zinc/55/51/30/764555130.db2.gz PBHVUWCEDLRYHG-QLFBSQMISA-N 1 3 311.470 0.926 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102475610 764656910 /nfs/dbraw/zinc/65/69/10/764656910.db2.gz WJCZPQJZZSZLCH-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1C ZINC001102475610 764656919 /nfs/dbraw/zinc/65/69/19/764656919.db2.gz WJCZPQJZZSZLCH-KFWWJZLASA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886238 764707507 /nfs/dbraw/zinc/70/75/07/764707507.db2.gz HOVYJNINPKBSAT-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886238 764707514 /nfs/dbraw/zinc/70/75/14/764707514.db2.gz HOVYJNINPKBSAT-IHRRRGAJSA-N 1 3 312.458 0.337 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133051418 764802011 /nfs/dbraw/zinc/80/20/11/764802011.db2.gz FYOQRZMHMUJGOY-ZDUSSCGKSA-N 1 3 300.447 0.339 20 0 DCADHO COc1ccc(CNCCNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001133286053 764907550 /nfs/dbraw/zinc/90/75/50/764907550.db2.gz VGOHHRRPEYKKNF-UHFFFAOYSA-N 1 3 306.410 0.638 20 0 DCADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103085503 764939307 /nfs/dbraw/zinc/93/93/07/764939307.db2.gz YYEVTYBRIDDFQV-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103085503 764939312 /nfs/dbraw/zinc/93/93/12/764939312.db2.gz YYEVTYBRIDDFQV-HUUCEWRRSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C ZINC001133419542 764957881 /nfs/dbraw/zinc/95/78/81/764957881.db2.gz RLVMLIKWXNFPTA-WDEREUQCSA-N 1 3 313.364 0.592 20 0 DCADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001133433704 764966778 /nfs/dbraw/zinc/96/67/78/764966778.db2.gz AMUBOOOPQWVFID-GXTWGEPZSA-N 1 3 308.430 0.057 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001103550132 765080531 /nfs/dbraw/zinc/08/05/31/765080531.db2.gz AHAREBQLJHKTTQ-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001103550132 765080534 /nfs/dbraw/zinc/08/05/34/765080534.db2.gz AHAREBQLJHKTTQ-HZSPNIEDSA-N 1 3 312.458 0.276 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN2CCC[C@H]2C)n1 ZINC001133819582 765149689 /nfs/dbraw/zinc/14/96/89/765149689.db2.gz HXVSWWQWJXFMAN-GFCCVEGCSA-N 1 3 308.430 0.085 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001133819990 765151273 /nfs/dbraw/zinc/15/12/73/765151273.db2.gz UPJAKNBQDULVLN-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001133819990 765151281 /nfs/dbraw/zinc/15/12/81/765151281.db2.gz UPJAKNBQDULVLN-CYBMUJFWSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001133830675 765160855 /nfs/dbraw/zinc/16/08/55/765160855.db2.gz ANAZJGUBVVCNKD-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001133830675 765160859 /nfs/dbraw/zinc/16/08/59/765160859.db2.gz ANAZJGUBVVCNKD-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849773 765181231 /nfs/dbraw/zinc/18/12/31/765181231.db2.gz DHGCVYDZHHLPMR-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133849773 765181234 /nfs/dbraw/zinc/18/12/34/765181234.db2.gz DHGCVYDZHHLPMR-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849951 765182412 /nfs/dbraw/zinc/18/24/12/765182412.db2.gz IBVCOWFOTIXLSG-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133849951 765182414 /nfs/dbraw/zinc/18/24/14/765182414.db2.gz IBVCOWFOTIXLSG-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CO[C@@H](C)C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856838 765182481 /nfs/dbraw/zinc/18/24/81/765182481.db2.gz SHOLMGVJNMJYTI-WFASDCNBSA-N 1 3 303.422 0.940 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133867589 765194643 /nfs/dbraw/zinc/19/46/43/765194643.db2.gz VSOSLXPPKSREGF-IUODEOHRSA-N 1 3 318.421 0.189 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133867589 765194649 /nfs/dbraw/zinc/19/46/49/765194649.db2.gz VSOSLXPPKSREGF-IUODEOHRSA-N 1 3 318.421 0.189 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCNC(=O)CN2CCC(C)(C)C2)C1=O ZINC001133896906 765215342 /nfs/dbraw/zinc/21/53/42/765215342.db2.gz UQIBLDRCWHKHOA-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001133908508 765221430 /nfs/dbraw/zinc/22/14/30/765221430.db2.gz UYLRDQXYASSXEJ-CYBMUJFWSA-N 1 3 314.474 0.714 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111767169 765382439 /nfs/dbraw/zinc/38/24/39/765382439.db2.gz RVWNWGSIQQWHNI-DZKIICNBSA-N 1 3 315.433 0.629 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111767169 765382450 /nfs/dbraw/zinc/38/24/50/765382450.db2.gz RVWNWGSIQQWHNI-DZKIICNBSA-N 1 3 315.433 0.629 20 0 DCADHO CCCNC(=O)[C@@H](C)NCCNC(=O)CC1CC[NH+](C)CC1 ZINC001134782088 765671969 /nfs/dbraw/zinc/67/19/69/765671969.db2.gz AJVKCBFEZRWFIR-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001115299544 765681010 /nfs/dbraw/zinc/68/10/10/765681010.db2.gz ABXXBFOPTOJHFJ-QLPKVWCKSA-N 1 3 319.453 0.349 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]21 ZINC001115299544 765681014 /nfs/dbraw/zinc/68/10/14/765681014.db2.gz ABXXBFOPTOJHFJ-QLPKVWCKSA-N 1 3 319.453 0.349 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001115304897 765686125 /nfs/dbraw/zinc/68/61/25/765686125.db2.gz WYMLGMHHSGULIG-AIANPOQGSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]21 ZINC001115304897 765686131 /nfs/dbraw/zinc/68/61/31/765686131.db2.gz WYMLGMHHSGULIG-AIANPOQGSA-N 1 3 309.454 0.942 20 0 DCADHO C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)N1CCCCC1 ZINC001124867144 768317974 /nfs/dbraw/zinc/31/79/74/768317974.db2.gz SNQIWAPSPXYWFR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001124878487 768319882 /nfs/dbraw/zinc/31/98/82/768319882.db2.gz MZKSRGRXZMIESI-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO C[NH+](C)CCn1cc(C(=O)NCCNCc2cccnc2)cn1 ZINC001135114594 765803748 /nfs/dbraw/zinc/80/37/48/765803748.db2.gz ITCKJJXTBLTRCY-UHFFFAOYSA-N 1 3 316.409 0.359 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001135513232 765967160 /nfs/dbraw/zinc/96/71/60/765967160.db2.gz IDLXSEUWAYDXOW-CYBMUJFWSA-N 1 3 300.447 0.289 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135437132 765933593 /nfs/dbraw/zinc/93/35/93/765933593.db2.gz OOZXCAXOBCZJHZ-CQSZACIVSA-N 1 3 312.458 0.483 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnnn1C ZINC001135742915 766084512 /nfs/dbraw/zinc/08/45/12/766084512.db2.gz AVBKKQBLVOWTLL-CHWSQXEVSA-N 1 3 310.446 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001135743329 766085177 /nfs/dbraw/zinc/08/51/77/766085177.db2.gz ISXCBBWKDIXENC-UONOGXRCSA-N 1 3 314.474 0.726 20 0 DCADHO C[C@H](C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)NCc1ccn(C)n1 ZINC001135938593 766177181 /nfs/dbraw/zinc/17/71/81/766177181.db2.gz LULJZSLKJNOALF-ZIAGYGMSSA-N 1 3 319.453 0.889 20 0 DCADHO Cc1ncccc1CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959883 766193085 /nfs/dbraw/zinc/19/30/85/766193085.db2.gz UQLBYTSDKSEKCC-UHFFFAOYSA-N 1 3 320.437 0.707 20 0 DCADHO CCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090705278 766502772 /nfs/dbraw/zinc/50/27/72/766502772.db2.gz CMRHBKOAKNIZAV-HOTGVXAUSA-N 1 3 309.454 0.680 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC001119296881 766628688 /nfs/dbraw/zinc/62/86/88/766628688.db2.gz HALKBZYBOWQQRD-KGLIPLIRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC001119354152 766643443 /nfs/dbraw/zinc/64/34/43/766643443.db2.gz BFSRDJMIMLJUPC-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC001119413263 766667171 /nfs/dbraw/zinc/66/71/71/766667171.db2.gz PRZGXNLWZFUOMH-GFCCVEGCSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CCCN2CC(N)=O)C1 ZINC001120430518 767008243 /nfs/dbraw/zinc/00/82/43/767008243.db2.gz LCFYXALYPSSOIF-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC001120480670 767032449 /nfs/dbraw/zinc/03/24/49/767032449.db2.gz AOFFSDOUYFQQLS-GOSISDBHSA-N 1 3 321.465 0.791 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)Cn2cccn2)C[C@H](C)O1 ZINC001120481207 767032742 /nfs/dbraw/zinc/03/27/42/767032742.db2.gz NMFUEOHUXNLTON-OWCLPIDISA-N 1 3 310.442 0.723 20 0 DCADHO CN(C)Cc1ccccc1C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001091377775 767257922 /nfs/dbraw/zinc/25/79/22/767257922.db2.gz ZRRVMIPISYLKDU-UHFFFAOYSA-N 1 3 318.421 0.332 20 0 DCADHO COc1cccc(C[C@@H](N)C(=O)NC2(CO)CC[NH+](C)CC2)c1 ZINC001144942960 767277455 /nfs/dbraw/zinc/27/74/55/767277455.db2.gz CXINUYUCTBLRRH-OAHLLOKOSA-N 1 3 321.421 0.138 20 0 DCADHO C[C@@H]([NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1)C(N)=O ZINC001121238404 767476531 /nfs/dbraw/zinc/47/65/31/767476531.db2.gz MDUDYFYKJIAAMA-MPXNVAGNSA-N 1 3 322.453 0.362 20 0 DCADHO CC[C@H](C(=O)NC1CC2(C1)CC([NH2+][C@H](C)C(N)=O)C2)N(C)C ZINC001121288786 767498722 /nfs/dbraw/zinc/49/87/22/767498722.db2.gz KCFNFAYXRIJLNW-GFPIQKHSSA-N 1 3 310.442 0.217 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146709664 767507938 /nfs/dbraw/zinc/50/79/38/767507938.db2.gz APPVUKPNYPZWPR-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CCC(CC)NC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146709664 767507943 /nfs/dbraw/zinc/50/79/43/767507943.db2.gz APPVUKPNYPZWPR-UHFFFAOYSA-N 1 3 300.447 0.339 20 0 DCADHO CCCN(C)CC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC001122107059 767716403 /nfs/dbraw/zinc/71/64/03/767716403.db2.gz ZEYBCXMERXVKSL-OPFKTAGGSA-N 1 3 322.453 0.234 20 0 DCADHO COc1ccc(CNCCCNC(=O)C23CC[NH+](CC2)C3)nn1 ZINC001171303590 767742666 /nfs/dbraw/zinc/74/26/66/767742666.db2.gz SCCBDIFRVCRVBT-UHFFFAOYSA-N 1 3 319.409 0.177 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)CN(C)C(C)C)C2)C1 ZINC001122242755 767749041 /nfs/dbraw/zinc/74/90/41/767749041.db2.gz NOFLMPRBWMATSW-FBVPLBQTSA-N 1 3 324.469 0.478 20 0 DCADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H](N)CN)CC1 ZINC001161058188 767832418 /nfs/dbraw/zinc/83/24/18/767832418.db2.gz PIKMUYJOARBCEA-HNNXBMFYSA-N 1 3 308.401 0.535 20 0 DCADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H](N)CN)CC1 ZINC001161058188 767832424 /nfs/dbraw/zinc/83/24/24/767832424.db2.gz PIKMUYJOARBCEA-HNNXBMFYSA-N 1 3 308.401 0.535 20 0 DCADHO CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838947 768402559 /nfs/dbraw/zinc/40/25/59/768402559.db2.gz ZQABJKVKYBSKIL-MYPHYYIGSA-N 1 3 321.465 0.944 20 0 DCADHO CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092838947 768402562 /nfs/dbraw/zinc/40/25/62/768402562.db2.gz ZQABJKVKYBSKIL-MYPHYYIGSA-N 1 3 321.465 0.944 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133329 768458467 /nfs/dbraw/zinc/45/84/67/768458467.db2.gz BMUZXCLFDWWAJT-MCIONIFRSA-N 1 3 322.453 0.030 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cnn(C)c2)[C@H](C)C1)N(C)C ZINC001094049517 768834748 /nfs/dbraw/zinc/83/47/48/768834748.db2.gz XXCJBVLJUATQMG-BMFZPTHFSA-N 1 3 321.469 0.944 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCOC)CCCO1)N(C)C ZINC001149888356 768953019 /nfs/dbraw/zinc/95/30/19/768953019.db2.gz JNKYOEISPSNAQC-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCOC)CCCO1)N(C)C ZINC001149888356 768953021 /nfs/dbraw/zinc/95/30/21/768953021.db2.gz JNKYOEISPSNAQC-HUUCEWRRSA-N 1 3 315.458 0.570 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CCCF)CCCO2)C1 ZINC001150333371 769067521 /nfs/dbraw/zinc/06/75/21/769067521.db2.gz MLDFGYWZAHVWCW-CABCVRRESA-N 1 3 315.433 0.895 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CCCF)CCCO2)C1 ZINC001150333371 769067532 /nfs/dbraw/zinc/06/75/32/769067532.db2.gz MLDFGYWZAHVWCW-CABCVRRESA-N 1 3 315.433 0.895 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149936745 769124244 /nfs/dbraw/zinc/12/42/44/769124244.db2.gz MWEUDYSUMDSUOA-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149936745 769124249 /nfs/dbraw/zinc/12/42/49/769124249.db2.gz MWEUDYSUMDSUOA-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC1CCCCC1 ZINC001151073288 769252519 /nfs/dbraw/zinc/25/25/19/769252519.db2.gz IKRNZIPKXJJNFV-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC1CCCCC1 ZINC001151073288 769252529 /nfs/dbraw/zinc/25/25/29/769252529.db2.gz IKRNZIPKXJJNFV-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO C[NH+]1CCN(c2ccc(CN3CCOC[C@](C)(O)C3)cn2)CC1 ZINC001232360170 769308818 /nfs/dbraw/zinc/30/88/18/769308818.db2.gz BWFMNZMUEKHXKS-QGZVFWFLSA-N 1 3 320.437 0.417 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C[C@H](O)COC)N(C)C ZINC001171508619 769312014 /nfs/dbraw/zinc/31/20/14/769312014.db2.gz HFOHHQAHXCJTRJ-QLFBSQMISA-N 1 3 317.474 0.599 20 0 DCADHO CCC[N@H+](C)CCC(=O)NCCCNCc1ccnc(OC)n1 ZINC001171725157 769358522 /nfs/dbraw/zinc/35/85/22/769358522.db2.gz GFTPXVGCQZDEHU-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1ccnc(OC)n1 ZINC001171725157 769358531 /nfs/dbraw/zinc/35/85/31/769358531.db2.gz GFTPXVGCQZDEHU-UHFFFAOYSA-N 1 3 323.441 0.813 20 0 DCADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC001171770028 769372617 /nfs/dbraw/zinc/37/26/17/769372617.db2.gz KEWKLZPUJCIGBD-AWEZNQCLSA-N 1 3 314.474 0.679 20 0 DCADHO CCCCNC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152223276 769509784 /nfs/dbraw/zinc/50/97/84/769509784.db2.gz KDOBLBSPHQXUPP-UHFFFAOYSA-N 1 3 312.458 0.485 20 0 DCADHO C[C@@H](NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001152238186 769515093 /nfs/dbraw/zinc/51/50/93/769515093.db2.gz ZYLATMAICSTNKL-CQSZACIVSA-N 1 3 324.469 0.483 20 0 DCADHO O=C(CC[NH+]1CCCCC1)NCCNCC(=O)NCC1CC1 ZINC001152339898 769531056 /nfs/dbraw/zinc/53/10/56/769531056.db2.gz DSFNSRCFPGIIOD-UHFFFAOYSA-N 1 3 310.442 0.094 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCOC ZINC001152452297 769562346 /nfs/dbraw/zinc/56/23/46/769562346.db2.gz ZTBHWYAGBGHCBI-AWEZNQCLSA-N 1 3 301.431 0.230 20 0 DCADHO CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCCN1CC)C(N)=O ZINC001152458560 769566657 /nfs/dbraw/zinc/56/66/57/769566657.db2.gz QPYZNJLRVQHVTM-KGLIPLIRSA-N 1 3 312.458 0.611 20 0 DCADHO CN(C)CC[NH+](CCN(C)C)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761269 769713946 /nfs/dbraw/zinc/71/39/46/769713946.db2.gz SKIBTSJDAVFUSW-HUUCEWRRSA-N 1 3 309.462 0.582 20 0 DCADHO C[C@H](NCCNC(=O)CCCC[NH+]1CCCC1)C(=O)N(C)C ZINC001153314056 769781019 /nfs/dbraw/zinc/78/10/19/769781019.db2.gz CCXQFRWSSJPPMH-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO O=C(C1CCN(CC[C@H]2CCCC[NH2+]2)CC1)N1CCNCC1 ZINC001235299786 769798951 /nfs/dbraw/zinc/79/89/51/769798951.db2.gz MPEQVFNJVAGJMQ-MRXNPFEDSA-N 1 3 308.470 0.662 20 0 DCADHO [NH3+][C@H](CN1CCC(C(=O)N2CCNCC2)CC1)c1ccccc1 ZINC001235300804 769799151 /nfs/dbraw/zinc/79/91/51/769799151.db2.gz SKWHNZOIQYEIMD-QGZVFWFLSA-N 1 3 316.449 0.830 20 0 DCADHO CC(C)(C)OC(=O)NCCN1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235369563 769825271 /nfs/dbraw/zinc/82/52/71/769825271.db2.gz SIZKOWQWEAVVOF-XJKCOSOUSA-N 1 3 311.426 0.964 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175255849 769884152 /nfs/dbraw/zinc/88/41/52/769884152.db2.gz HTFCJIZYIDPGKW-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCn1cncn1)N(C)C ZINC001175304864 769886367 /nfs/dbraw/zinc/88/63/67/769886367.db2.gz MXTPATLNEQWDBE-GJZGRUSLSA-N 1 3 324.473 0.883 20 0 DCADHO [NH3+]CCCCN1C[C@@H](NC(=O)c2ccsc2)[C@H]2COC[C@H]21 ZINC001235601959 769906011 /nfs/dbraw/zinc/90/60/11/769906011.db2.gz OEOGWMUOKDUGSQ-MGPQQGTHSA-N 1 3 309.435 0.916 20 0 DCADHO CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828917 769952482 /nfs/dbraw/zinc/95/24/82/769952482.db2.gz RYTCTDRGAAXOIX-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153828917 769952492 /nfs/dbraw/zinc/95/24/92/769952492.db2.gz RYTCTDRGAAXOIX-KGLIPLIRSA-N 1 3 315.458 0.305 20 0 DCADHO COCCN(Cc1nc2c(s1)CNCC2)[C@H]1CCC[NH2+]C1 ZINC001236328757 769996200 /nfs/dbraw/zinc/99/62/00/769996200.db2.gz ISVHXLVBQSPXBN-LBPRGKRZSA-N 1 3 310.467 0.989 20 0 DCADHO CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176754646 770169073 /nfs/dbraw/zinc/16/90/73/770169073.db2.gz XLZNZKLASGDJJP-AWEZNQCLSA-N 1 3 314.474 0.727 20 0 DCADHO CCn1nncc1CNCCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931244 770231058 /nfs/dbraw/zinc/23/10/58/770231058.db2.gz XKKQQISTDHCYSQ-UHFFFAOYSA-N 1 3 322.457 0.770 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001176986758 770273438 /nfs/dbraw/zinc/27/34/38/770273438.db2.gz VHGKVEHIVLAFRS-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc2c(nn1)CCNC2 ZINC001155229382 770442479 /nfs/dbraw/zinc/44/24/79/770442479.db2.gz BJYBYHIGIPFUKE-CQSZACIVSA-N 1 3 321.425 0.665 20 0 DCADHO c1c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nnc2c1CNCC2 ZINC001155600436 770560726 /nfs/dbraw/zinc/56/07/26/770560726.db2.gz VNSBWBTWCHXSDU-LRDDRELGSA-N 1 3 303.410 0.693 20 0 DCADHO COc1nccc(C[NH2+]CCCNC(=O)[C@H]2CCCN2C)n1 ZINC001155790676 770619373 /nfs/dbraw/zinc/61/93/73/770619373.db2.gz LXMPAKONOJIMRR-CYBMUJFWSA-N 1 3 307.398 0.175 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178355945 770730548 /nfs/dbraw/zinc/73/05/48/770730548.db2.gz DSZUPFDGNXITKJ-IHRRRGAJSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCCCC[NH2+][C@H](C)C(N)=O)N(C)C ZINC001178754690 770854974 /nfs/dbraw/zinc/85/49/74/770854974.db2.gz BYQIQMRXWZPTEV-KGLIPLIRSA-N 1 3 314.474 0.713 20 0 DCADHO Cc1nc(CN[C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001179439379 771005188 /nfs/dbraw/zinc/00/51/88/771005188.db2.gz MKDUJFLWUPYMTB-AAEUAGOBSA-N 1 3 308.430 0.534 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC)[C@@H]1C ZINC001179976361 771041641 /nfs/dbraw/zinc/04/16/41/771041641.db2.gz OARCNCZNFUITHW-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NCC)[C@@H]1C ZINC001179976361 771041644 /nfs/dbraw/zinc/04/16/44/771041644.db2.gz OARCNCZNFUITHW-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179989463 771044552 /nfs/dbraw/zinc/04/45/52/771044552.db2.gz YYPOZNKAALWCSX-UHFFFAOYSA-N 1 3 324.473 0.923 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCCCCNCc1cn(C)nn1 ZINC001179989463 771044558 /nfs/dbraw/zinc/04/45/58/771044558.db2.gz YYPOZNKAALWCSX-UHFFFAOYSA-N 1 3 324.473 0.923 20 0 DCADHO C[C@H](N[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C)C(N)=O ZINC001180272716 771091267 /nfs/dbraw/zinc/09/12/67/771091267.db2.gz NYALUSIEJKBJII-KKUMJFAQSA-N 1 3 324.469 0.705 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676397 771526864 /nfs/dbraw/zinc/52/68/64/771526864.db2.gz LHFDNAAJGGMDEO-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO CCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676397 771526869 /nfs/dbraw/zinc/52/68/69/771526869.db2.gz LHFDNAAJGGMDEO-RBSFLKMASA-N 1 3 324.469 0.433 20 0 DCADHO COc1cnccc1[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CC1 ZINC001157082112 771529999 /nfs/dbraw/zinc/52/99/99/771529999.db2.gz IEEXMGOHVNZLDS-JSGCOSHPSA-N 1 3 324.450 0.677 20 0 DCADHO N[C@H]1CN(C(=O)[C@@H](c2ccco2)N2CCC[NH2+]CC2)C[C@H]1F ZINC001157530823 771626731 /nfs/dbraw/zinc/62/67/31/771626731.db2.gz JRAQEWPTKAIIEM-MBNYWOFBSA-N 1 3 310.373 0.124 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001183240366 771627936 /nfs/dbraw/zinc/62/79/36/771627936.db2.gz AZCWYDNLUUTWOM-QWHCGFSZSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183289091 771632686 /nfs/dbraw/zinc/63/26/86/771632686.db2.gz SRSDZOMZJXGDEP-CYBMUJFWSA-N 1 3 310.442 0.186 20 0 DCADHO O=C(N1CCC(=O)[C@H]2CCCC[C@H]21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157566959 771634193 /nfs/dbraw/zinc/63/41/93/771634193.db2.gz HIRORIFPWZOFHR-UMPJEAMMSA-N 1 3 305.422 0.546 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)[C@@H](C)CN1Cc1ccccc1 ZINC001157615140 771641883 /nfs/dbraw/zinc/64/18/83/771641883.db2.gz AAUXXLTXKAPHFI-WTTBNOFXSA-N 1 3 316.449 0.797 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)[C@@H](C)CN1Cc1ccccc1 ZINC001157615140 771641886 /nfs/dbraw/zinc/64/18/86/771641886.db2.gz AAUXXLTXKAPHFI-WTTBNOFXSA-N 1 3 316.449 0.797 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@@H]([NH3+])COCc1ccccc1 ZINC001157716803 771657856 /nfs/dbraw/zinc/65/78/56/771657856.db2.gz SUYKVTSMBANURN-CVEARBPZSA-N 1 3 321.421 0.367 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1)N(C)C ZINC001183592264 771672615 /nfs/dbraw/zinc/67/26/15/771672615.db2.gz PSMOKFBIXUNTTN-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001183647761 771675548 /nfs/dbraw/zinc/67/55/48/771675548.db2.gz KEUSOTBPMRBYAO-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC001183773585 771699495 /nfs/dbraw/zinc/69/94/95/771699495.db2.gz QEFLATZEPQXKNB-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2cnn(C)c2)C1 ZINC001183773585 771699497 /nfs/dbraw/zinc/69/94/97/771699497.db2.gz QEFLATZEPQXKNB-CQSZACIVSA-N 1 3 307.442 0.841 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCO ZINC001158030312 771716130 /nfs/dbraw/zinc/71/61/30/771716130.db2.gz VHNRFFAGZCJGFX-HUUCEWRRSA-N 1 3 317.449 0.972 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCO ZINC001158030312 771716133 /nfs/dbraw/zinc/71/61/33/771716133.db2.gz VHNRFFAGZCJGFX-HUUCEWRRSA-N 1 3 317.449 0.972 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158093899 771725488 /nfs/dbraw/zinc/72/54/88/771725488.db2.gz YIOQYFVGKVXHKR-FZMZJTMJSA-N 1 3 310.442 0.206 20 0 DCADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158109777 771726803 /nfs/dbraw/zinc/72/68/03/771726803.db2.gz CDBVGUROSBKNAO-LSDHHAIUSA-N 1 3 321.465 0.872 20 0 DCADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158109777 771726806 /nfs/dbraw/zinc/72/68/06/771726806.db2.gz CDBVGUROSBKNAO-LSDHHAIUSA-N 1 3 321.465 0.872 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319011 771758923 /nfs/dbraw/zinc/75/89/23/771758923.db2.gz CIYSSDZUCKCHLH-WOPDTQHZSA-N 1 3 305.369 0.538 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158336512 771761038 /nfs/dbraw/zinc/76/10/38/771761038.db2.gz MMLJAIUZPODUNA-OUWJGKLISA-N 1 3 321.446 0.180 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ncn1 ZINC001158380009 771765724 /nfs/dbraw/zinc/76/57/24/771765724.db2.gz JZVGEKXWZWCMSZ-UKRRQHHQSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ncn1 ZINC001158380009 771765727 /nfs/dbraw/zinc/76/57/27/771765727.db2.gz JZVGEKXWZWCMSZ-UKRRQHHQSA-N 1 3 305.426 0.721 20 0 DCADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422158 771771828 /nfs/dbraw/zinc/77/18/28/771771828.db2.gz IDJFVEZVKYKXKH-JYJNAYRXSA-N 1 3 303.406 0.883 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1C ZINC001158428611 771773379 /nfs/dbraw/zinc/77/33/79/771773379.db2.gz LEWSYSBVHOOXQI-UKRRQHHQSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1cc(CNCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)nn1C ZINC001158428611 771773381 /nfs/dbraw/zinc/77/33/81/771773381.db2.gz LEWSYSBVHOOXQI-UKRRQHHQSA-N 1 3 307.442 0.665 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184876590 771840996 /nfs/dbraw/zinc/84/09/96/771840996.db2.gz LAFICJRVFRMNPL-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCC[C@@H](N[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001185229799 771882153 /nfs/dbraw/zinc/88/21/53/771882153.db2.gz HUDYOEOCPOGSNR-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CCCCN1C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385572 771909583 /nfs/dbraw/zinc/90/95/83/771909583.db2.gz SHANRLWUJRNGRZ-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO COc1ncc(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c(C)n1 ZINC001185407946 771916380 /nfs/dbraw/zinc/91/63/80/771916380.db2.gz HYSGQVPSZINIPA-CQSZACIVSA-N 1 3 321.425 0.436 20 0 DCADHO C[C@@H](Nc1ccc(OCC2CC[NH2+]CC2)nn1)[C@@H]1CNCCO1 ZINC001159501093 771920422 /nfs/dbraw/zinc/92/04/22/771920422.db2.gz GZDGIWZWQUSZLY-OCCSQVGLSA-N 1 3 321.425 0.644 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185651355 771939996 /nfs/dbraw/zinc/93/99/96/771939996.db2.gz YVXQJWAITFXMSS-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185651355 771939999 /nfs/dbraw/zinc/93/99/99/771939999.db2.gz YVXQJWAITFXMSS-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001185659001 771940576 /nfs/dbraw/zinc/94/05/76/771940576.db2.gz BDDMRBCBNJESKJ-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001185659001 771940579 /nfs/dbraw/zinc/94/05/79/771940579.db2.gz BDDMRBCBNJESKJ-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659889 771941298 /nfs/dbraw/zinc/94/12/98/771941298.db2.gz RVFCDNURHBGPKJ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659889 771941301 /nfs/dbraw/zinc/94/13/01/771941301.db2.gz RVFCDNURHBGPKJ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185660008 771941528 /nfs/dbraw/zinc/94/15/28/771941528.db2.gz VGBRMTYRNFBEKT-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185660008 771941531 /nfs/dbraw/zinc/94/15/31/771941531.db2.gz VGBRMTYRNFBEKT-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCNC(=O)C3CC3)C2)C1 ZINC001185659086 771941595 /nfs/dbraw/zinc/94/15/95/771941595.db2.gz CZSXQFYECMBHLL-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO NC(=O)c1cc(Cl)ncc1C(F)(F)N[C@H](N)CCC[NH3+] ZINC001159787395 771958106 /nfs/dbraw/zinc/95/81/06/771958106.db2.gz WGFXDJGQTZSYJI-VIFPVBQESA-N 1 3 307.732 0.497 20 0 DCADHO CCn1nnc(C)c1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159916183 771976331 /nfs/dbraw/zinc/97/63/31/771976331.db2.gz OWSNDYAVRXIDEJ-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO COc1nccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)n1 ZINC001159917448 771977573 /nfs/dbraw/zinc/97/75/73/771977573.db2.gz WNEYZJFIUYDLDI-CQSZACIVSA-N 1 3 321.425 0.421 20 0 DCADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)c1ccsc1 ZINC001159930898 771978917 /nfs/dbraw/zinc/97/89/17/771978917.db2.gz YWPBAXMBPYIKPK-ZNMIVQPWSA-N 1 3 322.478 0.985 20 0 DCADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)c1ccsc1 ZINC001159930898 771978919 /nfs/dbraw/zinc/97/89/19/771978919.db2.gz YWPBAXMBPYIKPK-ZNMIVQPWSA-N 1 3 322.478 0.985 20 0 DCADHO CCN1CC[C@@H]([NH2+]CCCNC(=O)CN(C)C2CCC2)C1=O ZINC001159997090 771986825 /nfs/dbraw/zinc/98/68/25/771986825.db2.gz FPOOZAAVCVBNPT-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001186412598 772039656 /nfs/dbraw/zinc/03/96/56/772039656.db2.gz QNDHBYKSGHDNIM-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460701 772043097 /nfs/dbraw/zinc/04/30/97/772043097.db2.gz CWPKLEDAIDFCDO-HUUCEWRRSA-N 1 3 305.426 0.756 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460701 772043100 /nfs/dbraw/zinc/04/31/00/772043100.db2.gz CWPKLEDAIDFCDO-HUUCEWRRSA-N 1 3 305.426 0.756 20 0 DCADHO Cc1cc(CN(C)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)n(C)n1 ZINC001160474390 772045470 /nfs/dbraw/zinc/04/54/70/772045470.db2.gz CYRCJPOMNJZQSY-AWEZNQCLSA-N 1 3 305.426 0.561 20 0 DCADHO Cc1cc(CN(C)C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)n(C)n1 ZINC001160474390 772045477 /nfs/dbraw/zinc/04/54/77/772045477.db2.gz CYRCJPOMNJZQSY-AWEZNQCLSA-N 1 3 305.426 0.561 20 0 DCADHO N[C@@H](C(=O)N1CCC(C(=O)C(F)(F)F)CC1)C1CC[NH2+]CC1 ZINC001160548218 772063043 /nfs/dbraw/zinc/06/30/43/772063043.db2.gz ANYYFCNIEORERX-LLVKDONJSA-N 1 3 321.343 0.683 20 0 DCADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001160831563 772117595 /nfs/dbraw/zinc/11/75/95/772117595.db2.gz ASUANJWWHBGTSM-KBPBESRZSA-N 1 3 313.442 0.847 20 0 DCADHO N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001160875798 772131065 /nfs/dbraw/zinc/13/10/65/772131065.db2.gz RTKPFSRCXGCQLF-HOTGVXAUSA-N 1 3 305.422 0.913 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CCc1cnn(CC)c1)N(C)C ZINC001160883859 772132181 /nfs/dbraw/zinc/13/21/81/772132181.db2.gz WYZJUKLLTZPYHE-OAHLLOKOSA-N 1 3 309.458 0.882 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C1CC1)N(C)C ZINC001160889294 772133203 /nfs/dbraw/zinc/13/32/03/772133203.db2.gz HCLVSMWPKFLEQK-TZMCWYRMSA-N 1 3 312.458 0.337 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](C)CC)C1 ZINC001187290875 772161429 /nfs/dbraw/zinc/16/14/29/772161429.db2.gz ANZASSFMBDKWSD-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC001187321896 772164410 /nfs/dbraw/zinc/16/44/10/772164410.db2.gz HDAUXPSQPKSXBO-GFCCVEGCSA-N 1 3 307.385 0.800 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161169547 772180400 /nfs/dbraw/zinc/18/04/00/772180400.db2.gz CWGSVLMFIJHNOY-CABCVRRESA-N 1 3 323.441 0.036 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)C[C@H](C)N1 ZINC001161229839 772186962 /nfs/dbraw/zinc/18/69/62/772186962.db2.gz XQGDEOHJZBAENL-IHRRRGAJSA-N 1 3 317.437 0.343 20 0 DCADHO C[C@H]1CN(C(=O)[C@@H](c2ccco2)N2CCC([NH3+])CC2)C[C@H](C)N1 ZINC001161229828 772187196 /nfs/dbraw/zinc/18/71/96/772187196.db2.gz XIQMYDRARLLTTB-HEHGZKQESA-N 1 3 320.437 0.953 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N(C)C(C)C ZINC001161250625 772190920 /nfs/dbraw/zinc/19/09/20/772190920.db2.gz AHUYSRJZJNFVIU-UHFFFAOYSA-N 1 3 314.474 0.679 20 0 DCADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CCC(=O)N2)CC1 ZINC001161297538 772198414 /nfs/dbraw/zinc/19/84/14/772198414.db2.gz YJVBGGQPTMMHKL-ZDUSSCGKSA-N 1 3 320.437 0.132 20 0 DCADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CCC(=O)N2)CC1 ZINC001161297538 772198418 /nfs/dbraw/zinc/19/84/18/772198418.db2.gz YJVBGGQPTMMHKL-ZDUSSCGKSA-N 1 3 320.437 0.132 20 0 DCADHO COc1cc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c(N)cn1 ZINC001161448650 772225177 /nfs/dbraw/zinc/22/51/77/772225177.db2.gz FLOCTQQJJOXVSI-LBPRGKRZSA-N 1 3 321.425 0.428 20 0 DCADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC1CCC1)CC2 ZINC001161476076 772230334 /nfs/dbraw/zinc/23/03/34/772230334.db2.gz APIBLTKPATVQCA-ZENOOKHLSA-N 1 3 309.410 0.258 20 0 DCADHO C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001187841972 772233056 /nfs/dbraw/zinc/23/30/56/772233056.db2.gz HOAPGIYNROXGOZ-UKRRQHHQSA-N 1 3 322.453 0.187 20 0 DCADHO CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(N)=O ZINC001187842069 772233075 /nfs/dbraw/zinc/23/30/75/772233075.db2.gz JXHBABWCGLPENT-KGLIPLIRSA-N 1 3 310.442 0.317 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161501301 772235304 /nfs/dbraw/zinc/23/53/04/772235304.db2.gz UVJRETQCCVGUCB-LSDHHAIUSA-N 1 3 319.405 0.141 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2Cc3ccccc3CN2)CC12COC2 ZINC001161510343 772237097 /nfs/dbraw/zinc/23/70/97/772237097.db2.gz NPXPYIPDYSBVFU-LSDHHAIUSA-N 1 3 301.390 0.277 20 0 DCADHO N[C@@H](CCCc1ccccc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511108 772237504 /nfs/dbraw/zinc/23/75/04/772237504.db2.gz WPIDODXNXYZJEC-LSDHHAIUSA-N 1 3 303.406 0.523 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106837 772267061 /nfs/dbraw/zinc/26/70/61/772267061.db2.gz YPRCHWIZRPRLTH-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001188145137 772272117 /nfs/dbraw/zinc/27/21/17/772272117.db2.gz DSIWKCZSBUHMTN-OAHLLOKOSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001188158555 772276875 /nfs/dbraw/zinc/27/68/75/772276875.db2.gz SWBXHWYKNSLLFK-UKRRQHHQSA-N 1 3 324.469 0.432 20 0 DCADHO C[NH+](C)CCCNC(=O)c1cccnc1-n1cnc(CN)c1 ZINC001162299144 772354775 /nfs/dbraw/zinc/35/47/75/772354775.db2.gz ZSWFLJSHMOXGKV-UHFFFAOYSA-N 1 3 302.382 0.408 20 0 DCADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1N(CC[NH3+])CCO ZINC001163829988 772578863 /nfs/dbraw/zinc/57/88/63/772578863.db2.gz MZZTYBYYOPKGOX-UHFFFAOYSA-N 1 3 309.414 0.282 20 0 DCADHO O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001190480497 772629617 /nfs/dbraw/zinc/62/96/17/772629617.db2.gz APUDBRJRCPCPOK-JKSUJKDBSA-N 1 3 309.454 0.778 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)[C@H]2CN(C(C)C)CCO2)no1 ZINC001164539329 772676797 /nfs/dbraw/zinc/67/67/97/772676797.db2.gz YMHCALPOOLIANP-OAHLLOKOSA-N 1 3 324.425 0.688 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCNCc2ccn(C)n2)CC[N@@H+]1C ZINC001164574470 772682339 /nfs/dbraw/zinc/68/23/39/772682339.db2.gz NJFZQJJXYSBDLE-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]1C[C@@H](C(=O)NCCCNCc2ccn(C)n2)CC[N@H+]1C ZINC001164574470 772682341 /nfs/dbraw/zinc/68/23/41/772682341.db2.gz NJFZQJJXYSBDLE-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166634936 772833145 /nfs/dbraw/zinc/83/31/45/772833145.db2.gz ZBJAIDBYAMFEBN-CQSZACIVSA-N 1 3 307.442 0.983 20 0 DCADHO CCn1ccnc1CNCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166634936 772833150 /nfs/dbraw/zinc/83/31/50/772833150.db2.gz ZBJAIDBYAMFEBN-CQSZACIVSA-N 1 3 307.442 0.983 20 0 DCADHO CCCC[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(N)=O ZINC001166677958 772839236 /nfs/dbraw/zinc/83/92/36/772839236.db2.gz REDUNLHYQNTIEL-KGLIPLIRSA-N 1 3 312.458 0.468 20 0 DCADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016206 772858820 /nfs/dbraw/zinc/85/88/20/772858820.db2.gz FIIKMJBIPMMGMQ-OAHLLOKOSA-N 1 3 319.453 0.758 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(C)(C)CC)N(C)C ZINC001166857257 772871136 /nfs/dbraw/zinc/87/11/36/772871136.db2.gz ATIMHJCKIXCGFX-ZDUSSCGKSA-N 1 3 314.474 0.727 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166852565 772871579 /nfs/dbraw/zinc/87/15/79/772871579.db2.gz SZCFGGHAVMZFLK-KBPBESRZSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CCO[C@@H]1CC1(F)F)N(C)C ZINC001166865546 772872598 /nfs/dbraw/zinc/87/25/98/772872598.db2.gz GOIJCAYZHJETEH-NWDGAFQWSA-N 1 3 307.385 0.847 20 0 DCADHO CC[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(N)=O ZINC001204797730 772962015 /nfs/dbraw/zinc/96/20/15/772962015.db2.gz BATIKWPIPBKTGP-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCc2cnn(C)c2)C1 ZINC001192948663 772977200 /nfs/dbraw/zinc/97/72/00/772977200.db2.gz VAVNCTIRKKHQIO-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCc2cnn(C)c2)C1 ZINC001192948663 772977204 /nfs/dbraw/zinc/97/72/04/772977204.db2.gz VAVNCTIRKKHQIO-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001207687193 773270231 /nfs/dbraw/zinc/27/02/31/773270231.db2.gz BELZPUOQVVBRQN-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001207688859 773270950 /nfs/dbraw/zinc/27/09/50/773270950.db2.gz SYWOKEBRUUOOHC-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001208073070 773393772 /nfs/dbraw/zinc/39/37/72/773393772.db2.gz AZJKJSLBWRNRCP-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073070 773393778 /nfs/dbraw/zinc/39/37/78/773393778.db2.gz AZJKJSLBWRNRCP-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001208328335 773434040 /nfs/dbraw/zinc/43/40/40/773434040.db2.gz CQMIBAUOEDMEDV-CQSZACIVSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1)C1CCC1 ZINC001208341259 773437782 /nfs/dbraw/zinc/43/77/82/773437782.db2.gz XRIMIYCGGAJQEY-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001208340979 773437949 /nfs/dbraw/zinc/43/79/49/773437949.db2.gz RZOWKTDEPKRQQK-UKRRQHHQSA-N 1 3 313.442 0.059 20 0 DCADHO COCCCN1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195873975 773494981 /nfs/dbraw/zinc/49/49/81/773494981.db2.gz OQEYZEOMGPZIIU-INIZCTEOSA-N 1 3 309.454 0.899 20 0 DCADHO C[NH+](C)CCN1CCN(CC2COC(C)(C)OC2)CCC1=O ZINC001209198286 773568513 /nfs/dbraw/zinc/56/85/13/773568513.db2.gz BJJCPWNIJDNFJA-UHFFFAOYSA-N 1 3 313.442 0.481 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001209243288 773573906 /nfs/dbraw/zinc/57/39/06/773573906.db2.gz UIDHFHDEYZEQQG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001209243288 773573911 /nfs/dbraw/zinc/57/39/11/773573911.db2.gz UIDHFHDEYZEQQG-KKUMJFAQSA-N 1 3 324.469 0.386 20 0 DCADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001210184478 773682908 /nfs/dbraw/zinc/68/29/08/773682908.db2.gz ZUXWVTOOZCMPKP-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001210216857 773686580 /nfs/dbraw/zinc/68/65/80/773686580.db2.gz AMNMSKSISPBYNR-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673968 773729045 /nfs/dbraw/zinc/72/90/45/773729045.db2.gz KRGOVRSSIOZUTI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673968 773729047 /nfs/dbraw/zinc/72/90/47/773729047.db2.gz KRGOVRSSIOZUTI-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001210783903 773737635 /nfs/dbraw/zinc/73/76/35/773737635.db2.gz WRQVJUIZVMOXBO-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001210783903 773737637 /nfs/dbraw/zinc/73/76/37/773737637.db2.gz WRQVJUIZVMOXBO-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001210810630 773741588 /nfs/dbraw/zinc/74/15/88/773741588.db2.gz BHUZZASSJDXNBF-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001210811197 773741813 /nfs/dbraw/zinc/74/18/13/773741813.db2.gz LBEVZKIPMUCBRM-INIZCTEOSA-N 1 3 321.469 0.885 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC001211286046 773790068 /nfs/dbraw/zinc/79/00/68/773790068.db2.gz SEMSUTPJOWWWKP-OAHLLOKOSA-N 1 3 307.442 0.804 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1CN(CCCO)C[C@H]1C)[NH+]1CCCC1 ZINC001211376010 773799338 /nfs/dbraw/zinc/79/93/38/773799338.db2.gz FBNLUHIVPWBPDU-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C)N1CCCC1 ZINC001211376010 773799341 /nfs/dbraw/zinc/79/93/41/773799341.db2.gz FBNLUHIVPWBPDU-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C)N1CCCC1 ZINC001211376010 773799344 /nfs/dbraw/zinc/79/93/44/773799344.db2.gz FBNLUHIVPWBPDU-BZUAXINKSA-N 1 3 311.470 0.926 20 0 DCADHO COC[C@@H](C)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197833106 773804622 /nfs/dbraw/zinc/80/46/22/773804622.db2.gz RPOHPYLEBJJMKH-CQSZACIVSA-N 1 3 301.431 0.134 20 0 DCADHO C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947940 773826578 /nfs/dbraw/zinc/82/65/78/773826578.db2.gz ADSJHUWYXHRUPH-BFHYXJOUSA-N 1 3 303.422 0.628 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cn(C2CCOCC2)cn1 ZINC001198408236 773917914 /nfs/dbraw/zinc/91/79/14/773917914.db2.gz QZNKDQPYWRNYOH-UHFFFAOYSA-N 1 3 308.386 0.309 20 0 DCADHO C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023394 774013444 /nfs/dbraw/zinc/01/34/44/774013444.db2.gz HPEOFIIKDCTCRO-RRFJBIMHSA-N 1 3 315.433 0.772 20 0 DCADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214904684 774023968 /nfs/dbraw/zinc/02/39/68/774023968.db2.gz DUBRHJCEWQZHLB-BARDWOONSA-N 1 3 315.458 0.016 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215058428 774037126 /nfs/dbraw/zinc/03/71/26/774037126.db2.gz PBPZYNZXWFGLBD-MGPQQGTHSA-N 1 3 322.453 0.186 20 0 DCADHO CC[NH+](CC)CCNC(=O)c1cnccc1N1CCN(C)CC1 ZINC001199356655 774088597 /nfs/dbraw/zinc/08/85/97/774088597.db2.gz YQPRQQBKVOGYME-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO O=C(NC[C@@H]1CCCN(CCN2CCOC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000403197897 774098417 /nfs/dbraw/zinc/09/84/17/774098417.db2.gz ZXPALSCYYXTGFC-KBPBESRZSA-N 1 3 324.425 0.019 20 0 DCADHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001216459466 774117650 /nfs/dbraw/zinc/11/76/50/774117650.db2.gz XEGAVDXOOCMKBW-QLFBSQMISA-N 1 3 324.469 0.386 20 0 DCADHO FC1(F)CC[NH2+]C[C@@H]1Oc1ccnc2c3c(nn21)CCNC3 ZINC001218455592 774226082 /nfs/dbraw/zinc/22/60/82/774226082.db2.gz WVLWTJWCNQORHN-NSHDSACASA-N 1 3 309.320 0.751 20 0 DCADHO N[C@@H](C(=O)Nc1n[nH]cc1Br)C1CC[NH2+]CC1 ZINC001218506652 774231232 /nfs/dbraw/zinc/23/12/32/774231232.db2.gz ACEYWIHDLAACQV-MRVPVSSYSA-N 1 3 302.176 0.438 20 0 DCADHO Cc1[nH]nc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1Br ZINC001218523696 774236312 /nfs/dbraw/zinc/23/63/12/774236312.db2.gz FUNMOSIHVXUUAS-SECBINFHSA-N 1 3 316.203 0.746 20 0 DCADHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534744 774239570 /nfs/dbraw/zinc/23/95/70/774239570.db2.gz XZMQALLMFLDHDA-APPZFPTMSA-N 1 3 306.395 0.191 20 0 DCADHO N[C@@H](Cc1cnc[nH]1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534744 774239573 /nfs/dbraw/zinc/23/95/73/774239573.db2.gz XZMQALLMFLDHDA-APPZFPTMSA-N 1 3 306.395 0.191 20 0 DCADHO Cn1nc(NC(=O)[C@H](N)C2CC[NH2+]CC2)c2ccc(Cl)nc21 ZINC001218573549 774252788 /nfs/dbraw/zinc/25/27/88/774252788.db2.gz YAJSCGBWJAIEGZ-LLVKDONJSA-N 1 3 322.800 0.887 20 0 DCADHO O=C(Nc1ncccc1OC(F)(F)F)[C@H]1C[NH2+]CC12CNC2 ZINC001218651424 774273321 /nfs/dbraw/zinc/27/33/21/774273321.db2.gz KLPFTXILUNVLIA-MRVPVSSYSA-N 1 3 316.283 0.728 20 0 DCADHO CCOC(=O)c1nc(C2CC2)oc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218668821 774277442 /nfs/dbraw/zinc/27/74/42/774277442.db2.gz IZNLWPMKPQOFFS-VIFPVBQESA-N 1 3 310.354 0.733 20 0 DCADHO Nc1cccnc1N(C(=O)[C@@H]1CNC[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001218694707 774281615 /nfs/dbraw/zinc/28/16/15/774281615.db2.gz CXTSQUNIODIRMB-RYUDHWBXSA-N 1 3 321.400 0.696 20 0 DCADHO NC1(C(=O)Nc2ccc(N3CCC([NH3+])CC3)nc2)CC(F)C1 ZINC001218723881 774289204 /nfs/dbraw/zinc/28/92/04/774289204.db2.gz HEFGCRJMJNMTBY-UHFFFAOYSA-N 1 3 307.373 0.777 20 0 DCADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3CNC[C@@H](F)C3)cn2)CC1 ZINC001218725675 774289728 /nfs/dbraw/zinc/28/97/28/774289728.db2.gz ZWXBKJJETMHGLD-NEPJUHHUSA-N 1 3 321.400 0.895 20 0 DCADHO COc1nc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc2ccccc21 ZINC001218758167 774298992 /nfs/dbraw/zinc/29/89/92/774298992.db2.gz AUPZZWLZLNLEHE-CYBMUJFWSA-N 1 3 312.373 0.991 20 0 DCADHO O=C(Nc1nnccc1C(F)(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218801815 774306343 /nfs/dbraw/zinc/30/63/43/774306343.db2.gz QZCCQSMVCMOPDQ-PRHODGIISA-N 1 3 315.299 0.633 20 0 DCADHO O=C(Nc1cccc2nsnc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218807746 774307388 /nfs/dbraw/zinc/30/73/88/774307388.db2.gz LLDVISXJLAXOTF-YMTOWFKASA-N 1 3 303.391 0.829 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCOC)C[C@H]21 ZINC001115160340 774332062 /nfs/dbraw/zinc/33/20/62/774332062.db2.gz SUYXCNFJFIZGLT-FOLVSLTJSA-N 1 3 313.442 0.038 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCOC)C[C@H]21 ZINC001115160340 774332070 /nfs/dbraw/zinc/33/20/70/774332070.db2.gz SUYXCNFJFIZGLT-FOLVSLTJSA-N 1 3 313.442 0.038 20 0 DCADHO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218946843 774332776 /nfs/dbraw/zinc/33/27/76/774332776.db2.gz UIIZGDYWEFTBFB-GWCFXTLKSA-N 1 3 317.393 0.551 20 0 DCADHO COC(=O)c1c(O)cccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218988725 774341824 /nfs/dbraw/zinc/34/18/24/774341824.db2.gz ZYPGXSORDAPLNB-QLJPJBMISA-N 1 3 319.361 0.316 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200477960 774361008 /nfs/dbraw/zinc/36/10/08/774361008.db2.gz FQNFLFLFGZXNLS-GJZGRUSLSA-N 1 3 313.442 0.059 20 0 DCADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCOC)C1)N(C)C ZINC001200795785 774410677 /nfs/dbraw/zinc/41/06/77/774410677.db2.gz NNMDMIOKCSWTOU-ZIAGYGMSSA-N 1 3 301.431 0.180 20 0 DCADHO CN[C@@H](CO)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283640 774434778 /nfs/dbraw/zinc/43/47/78/774434778.db2.gz WPXOJPJURCYPRV-LBPRGKRZSA-N 1 3 310.373 0.073 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001201037305 774442260 /nfs/dbraw/zinc/44/22/60/774442260.db2.gz HHRNIHNUQKCSMC-LBPRGKRZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCCF)C2)C1 ZINC001201402778 774501932 /nfs/dbraw/zinc/50/19/32/774501932.db2.gz GCHDZWXMJSCGSW-LSDHHAIUSA-N 1 3 315.433 0.895 20 0 DCADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCF)C1)N(C)C ZINC001201429740 774509508 /nfs/dbraw/zinc/50/95/08/774509508.db2.gz HZWXHCRPLIYGRB-KBPBESRZSA-N 1 3 303.422 0.893 20 0 DCADHO CO[C@@H]1CCN[C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219540833 774530795 /nfs/dbraw/zinc/53/07/95/774530795.db2.gz JDVCUAZPZXSHHH-MPXAEWJHSA-N 1 3 317.389 0.840 20 0 DCADHO CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219552101 774533890 /nfs/dbraw/zinc/53/38/90/774533890.db2.gz SKLUREXRJKJNBJ-RDBSUJKOSA-N 1 3 312.458 0.594 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@H](CNCCF)C2)C1 ZINC001201864006 774560453 /nfs/dbraw/zinc/56/04/53/774560453.db2.gz RSNFSXBEKYDRBJ-ZIAGYGMSSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCCO[C@H](CNCCF)C2)C1 ZINC001201864006 774560456 /nfs/dbraw/zinc/56/04/56/774560456.db2.gz RSNFSXBEKYDRBJ-ZIAGYGMSSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](CNCCF)C2)C1 ZINC001201864003 774560705 /nfs/dbraw/zinc/56/07/05/774560705.db2.gz RSNFSXBEKYDRBJ-KBPBESRZSA-N 1 3 301.406 0.505 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](CNCCF)C2)C1 ZINC001201864003 774560708 /nfs/dbraw/zinc/56/07/08/774560708.db2.gz RSNFSXBEKYDRBJ-KBPBESRZSA-N 1 3 301.406 0.505 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCCF)C1 ZINC001201930103 774572522 /nfs/dbraw/zinc/57/25/22/774572522.db2.gz AQNGWDBPXCCDFS-CQSZACIVSA-N 1 3 303.422 0.895 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)COC)C1 ZINC001201931139 774572849 /nfs/dbraw/zinc/57/28/49/774572849.db2.gz INOCSNXMTKMZTB-CABCVRRESA-N 1 3 315.458 0.570 20 0 DCADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)OC)C1 ZINC001201931244 774572871 /nfs/dbraw/zinc/57/28/71/774572871.db2.gz JITLDGQAMHWUEI-LSDHHAIUSA-N 1 3 315.458 0.570 20 0 DCADHO [NH3+]C[C@H](O)CC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668819 774576165 /nfs/dbraw/zinc/57/61/65/774576165.db2.gz AFGDNKMSHTUMAH-QGZVFWFLSA-N 1 3 319.449 0.767 20 0 DCADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@](C)(N)CO)CC21CC[NH2+]CC1 ZINC001219754467 774598994 /nfs/dbraw/zinc/59/89/94/774598994.db2.gz RWDOYUMNURINNA-WBVHZDCISA-N 1 3 317.433 0.887 20 0 DCADHO C[C@H](N)c1ncc(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)s1 ZINC001219766209 774600990 /nfs/dbraw/zinc/60/09/90/774600990.db2.gz NWLUQBOBJYKFIK-AXFHLTTASA-N 1 3 309.439 0.186 20 0 DCADHO C[C@H](N)c1ncc(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)s1 ZINC001219766209 774600993 /nfs/dbraw/zinc/60/09/93/774600993.db2.gz NWLUQBOBJYKFIK-AXFHLTTASA-N 1 3 309.439 0.186 20 0 DCADHO C[C@H](N)c1ncc(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)s1 ZINC001219766209 774600994 /nfs/dbraw/zinc/60/09/94/774600994.db2.gz NWLUQBOBJYKFIK-AXFHLTTASA-N 1 3 309.439 0.186 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202166820 774611021 /nfs/dbraw/zinc/61/10/21/774611021.db2.gz YIIXCWKOFAUXTG-HNNXBMFYSA-N 1 3 315.458 0.570 20 0 DCADHO CCc1nnc([C@H](C)NC2CCN(C(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001202331012 774638005 /nfs/dbraw/zinc/63/80/05/774638005.db2.gz NISIEPLHZBUIAS-LBPRGKRZSA-N 1 3 322.457 0.960 20 0 DCADHO COC(=O)[C@H](NC(=O)[C@@H](N)CCCC[NH3+])c1ccc(OC)cc1 ZINC001219975914 774660695 /nfs/dbraw/zinc/66/06/95/774660695.db2.gz ZARNSQNLSUHBEZ-UONOGXRCSA-N 1 3 323.393 0.482 20 0 DCADHO COC(=O)C1(NC(=O)c2ccc3c(c2)CNC3)CC[NH2+]CC1 ZINC001220002901 774665624 /nfs/dbraw/zinc/66/56/24/774665624.db2.gz BDQSJDKHCGALSZ-UHFFFAOYSA-N 1 3 303.362 0.315 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220162097 774715049 /nfs/dbraw/zinc/71/50/49/774715049.db2.gz HKBCAVFAHKAWPN-JKIFEVAISA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220164212 774716069 /nfs/dbraw/zinc/71/60/69/774716069.db2.gz ZLTQOCVZOLOURC-GZIXRCOHSA-N 1 3 324.469 0.515 20 0 DCADHO COc1cccc2c1CC[C@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001220215204 774737514 /nfs/dbraw/zinc/73/75/14/774737514.db2.gz NCMFGFLJNIKOIK-DZGCQCFKSA-N 1 3 315.417 0.478 20 0 DCADHO N[C@@H](C(=O)NCCC(=O)Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001220268657 774751010 /nfs/dbraw/zinc/75/10/10/774751010.db2.gz NELIPCHDEWTENX-OAHLLOKOSA-N 1 3 322.384 0.597 20 0 DCADHO [NH3+]CC1CCC(C(=O)NCc2ncn3c2CNCCC3)CC1 ZINC001220311414 774766000 /nfs/dbraw/zinc/76/60/00/774766000.db2.gz NPFLMBKKYNQSCO-UHFFFAOYSA-N 1 3 305.426 0.758 20 0 DCADHO [NH3+]C1CC2(C1)CC(C(=O)NCc1ncn3c1CNCCC3)C2 ZINC001220311549 774766215 /nfs/dbraw/zinc/76/62/15/774766215.db2.gz OPQIRJLLCZDYOL-UHFFFAOYSA-N 1 3 303.410 0.510 20 0 DCADHO N[C@@H](C(=O)NCCNC(=O)Nc1ccccc1)C1CC[NH2+]CC1 ZINC001220340383 774777507 /nfs/dbraw/zinc/77/75/07/774777507.db2.gz BJVTXDCIAWCOFT-CQSZACIVSA-N 1 3 319.409 0.251 20 0 DCADHO N[C@H](C(=O)Nc1cccn(CC2CC2)c1=O)C1CC[NH2+]CC1 ZINC001220342901 774778473 /nfs/dbraw/zinc/77/84/73/774778473.db2.gz AFUPHJIPFJSZQT-AWEZNQCLSA-N 1 3 304.394 0.524 20 0 DCADHO COc1cc2c(cc1C)C[C@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C2 ZINC001220378543 774787394 /nfs/dbraw/zinc/78/73/94/774787394.db2.gz BKQUOTDRQFJXBY-DOTOQJQBSA-N 1 3 317.433 0.914 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21)C1CC1 ZINC001114410411 774846097 /nfs/dbraw/zinc/84/60/97/774846097.db2.gz VSZMYEUBROKMOM-LTIDMASMSA-N 1 3 321.465 0.800 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21)C1CC1 ZINC001114410411 774846106 /nfs/dbraw/zinc/84/61/06/774846106.db2.gz VSZMYEUBROKMOM-LTIDMASMSA-N 1 3 321.465 0.800 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)C1CC1 ZINC001114409808 774848125 /nfs/dbraw/zinc/84/81/25/774848125.db2.gz RMKIWOYVAWHTOU-LTIDMASMSA-N 1 3 321.465 0.800 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)C1CC1 ZINC001114409808 774848136 /nfs/dbraw/zinc/84/81/36/774848136.db2.gz RMKIWOYVAWHTOU-LTIDMASMSA-N 1 3 321.465 0.800 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413451 774849857 /nfs/dbraw/zinc/84/98/57/774849857.db2.gz ACCTXZILZIIYJJ-QLPKVWCKSA-N 1 3 309.454 0.944 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114413451 774849865 /nfs/dbraw/zinc/84/98/65/774849865.db2.gz ACCTXZILZIIYJJ-QLPKVWCKSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414168 774851338 /nfs/dbraw/zinc/85/13/38/774851338.db2.gz NOWHKMHRKLHEPM-UTXMOHQDSA-N 1 3 309.454 0.678 20 0 DCADHO C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414168 774851346 /nfs/dbraw/zinc/85/13/46/774851346.db2.gz NOWHKMHRKLHEPM-UTXMOHQDSA-N 1 3 309.454 0.678 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220619818 774866347 /nfs/dbraw/zinc/86/63/47/774866347.db2.gz LRTHIPLVWXRESK-KBPBESRZSA-N 1 3 304.394 0.604 20 0 DCADHO N[C@H](CCC[NH3+])C(=O)NCc1ccccc1OC1CCOCC1 ZINC001220663533 774880501 /nfs/dbraw/zinc/88/05/01/774880501.db2.gz HIIMVWDNWPTZEL-OAHLLOKOSA-N 1 3 321.421 0.927 20 0 DCADHO C[C@H](CNC(=O)[C@@H](N)Cc1cncn1C)CC(C)(C)CC[NH3+] ZINC001220763538 774910380 /nfs/dbraw/zinc/91/03/80/774910380.db2.gz FTYBUVMPTJQUBD-JSGCOSHPSA-N 1 3 309.458 0.807 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220785818 774914555 /nfs/dbraw/zinc/91/45/55/774914555.db2.gz DDZOEMSBEVUTJT-IPYPFGDCSA-N 1 3 320.393 0.129 20 0 DCADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786273 774914621 /nfs/dbraw/zinc/91/46/21/774914621.db2.gz SWLGVBWDBAJOJB-CFVMTHIKSA-N 1 3 314.393 0.142 20 0 DCADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786273 774914623 /nfs/dbraw/zinc/91/46/23/774914623.db2.gz SWLGVBWDBAJOJB-CFVMTHIKSA-N 1 3 314.393 0.142 20 0 DCADHO O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1CCC2(CNC2)O1 ZINC001220788970 774915442 /nfs/dbraw/zinc/91/54/42/774915442.db2.gz HSEYDAAANDCWFY-SOUVJXGZSA-N 1 3 316.405 0.369 20 0 DCADHO CN[C@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)[C@@H](C)OC(C)(C)C ZINC001220937665 774957658 /nfs/dbraw/zinc/95/76/58/774957658.db2.gz XCFBFGWKUIGVNN-UPJWGTAASA-N 1 3 301.431 0.273 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCOCC(F)F)CC1 ZINC001202669065 774984953 /nfs/dbraw/zinc/98/49/53/774984953.db2.gz WIJCFWRAEHRFCI-UHFFFAOYSA-N 1 3 316.352 0.815 20 0 DCADHO O=C(N[C@H](c1ccnc(F)c1)C1CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001221053710 774985717 /nfs/dbraw/zinc/98/57/17/774985717.db2.gz JHMIWBVZBYFXMO-OCCSQVGLSA-N 1 3 304.369 0.597 20 0 DCADHO N=C(NC(=O)[C@H](N)C1CC[NH2+]CC1)c1cnc2ccc(F)cn21 ZINC001221322714 775068660 /nfs/dbraw/zinc/06/86/60/775068660.db2.gz KTOMYXTZYJKYKX-CYBMUJFWSA-N 1 3 318.356 0.242 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)[C@@H](N)CC(F)F)CC2)[NH2+]C1 ZINC001221392209 775083804 /nfs/dbraw/zinc/08/38/04/775083804.db2.gz KDKDHTKUXYNZKZ-NSHDSACASA-N 1 3 300.353 0.537 20 0 DCADHO N[C@@H](CSCC[NH3+])C(=O)NCc1cccc(C(F)(F)F)n1 ZINC001221393741 775084696 /nfs/dbraw/zinc/08/46/96/775084696.db2.gz CBNSJDUIXMNNEW-VIFPVBQESA-N 1 3 322.356 0.736 20 0 DCADHO N[C@H](C(=O)NCCCC(=O)c1cccnc1)C1CC[NH2+]CC1 ZINC001221395066 775086062 /nfs/dbraw/zinc/08/60/62/775086062.db2.gz ZNGKAUMAWSVSAL-HNNXBMFYSA-N 1 3 304.394 0.488 20 0 DCADHO COCC1(NC(=O)[C@@H](N)CCCC[NH3+])Cc2ccccc2C1 ZINC001221397356 775086474 /nfs/dbraw/zinc/08/64/74/775086474.db2.gz XLVNDJSWWMPXDF-HNNXBMFYSA-N 1 3 305.422 0.743 20 0 DCADHO COc1cnccc1[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C1CC1 ZINC001221410656 775093345 /nfs/dbraw/zinc/09/33/45/775093345.db2.gz WSTLHICLIZGOGS-UKRRQHHQSA-N 1 3 316.405 0.467 20 0 DCADHO CO[C@H](C)CN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772908 775191922 /nfs/dbraw/zinc/19/19/22/775191922.db2.gz QTUISSPMXKSTRE-RBSFLKMASA-N 1 3 309.454 0.896 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223472890 775493874 /nfs/dbraw/zinc/49/38/74/775493874.db2.gz XNEDXUOMZNRCRH-GJZGRUSLSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225167847 775651591 /nfs/dbraw/zinc/65/15/91/775651591.db2.gz CZSFZVWBHZSHQE-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225167847 775651600 /nfs/dbraw/zinc/65/16/00/775651600.db2.gz CZSFZVWBHZSHQE-GJZGRUSLSA-N 1 3 324.469 0.420 20 0 DCADHO COC[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280927 775703967 /nfs/dbraw/zinc/70/39/67/775703967.db2.gz CFGWRXYUGVPRFW-YJNKXOJESA-N 1 3 313.442 0.321 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1)N(C)C ZINC001227056209 775918840 /nfs/dbraw/zinc/91/88/40/775918840.db2.gz BDLQRIKBAHVBTA-RBSFLKMASA-N 1 3 324.469 0.622 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](C[C@@H](C)O)CC1 ZINC001227618328 775990744 /nfs/dbraw/zinc/99/07/44/775990744.db2.gz DZVHIAAOSDZXBE-OCCSQVGLSA-N 1 3 303.422 0.628 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366322 776076092 /nfs/dbraw/zinc/07/60/92/776076092.db2.gz PETSZTSJRWZLKD-ZIAGYGMSSA-N 1 3 312.458 0.481 20 0 DCADHO CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001228603161 776101315 /nfs/dbraw/zinc/10/13/15/776101315.db2.gz OIEHMNAESFZICI-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356213 777223065 /nfs/dbraw/zinc/22/30/65/777223065.db2.gz VBNMQJIUGQIRJT-GDBMZVCRSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356213 777223072 /nfs/dbraw/zinc/22/30/72/777223072.db2.gz VBNMQJIUGQIRJT-GDBMZVCRSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCCO)C3)C2)C1 ZINC001041678577 777426392 /nfs/dbraw/zinc/42/63/92/777426392.db2.gz HUOJOFPNFXWOMZ-DOTOQJQBSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCCO)C3)C2)C1 ZINC001041678577 777426396 /nfs/dbraw/zinc/42/63/96/777426396.db2.gz HUOJOFPNFXWOMZ-DOTOQJQBSA-N 1 3 309.454 0.635 20 0 DCADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCOCC(F)F ZINC001277998017 945087013 /nfs/dbraw/zinc/08/70/13/945087013.db2.gz YCRZDRJQFYEUCU-CYBMUJFWSA-N 1 3 319.396 0.945 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001278032805 945108096 /nfs/dbraw/zinc/10/80/96/945108096.db2.gz XBZFLKSPDPZOJA-NVXWUHKLSA-N 1 3 310.486 0.990 20 0 DCADHO CC[C@H](C(N)=O)N1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001278032805 945108099 /nfs/dbraw/zinc/10/80/99/945108099.db2.gz XBZFLKSPDPZOJA-NVXWUHKLSA-N 1 3 310.486 0.990 20 0 DCADHO CN(CCNCC(=O)N1CCCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661468 945152096 /nfs/dbraw/zinc/15/20/96/945152096.db2.gz MCHAJRJZVCMMFU-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO CN(CCNCC(=O)N1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317661468 945152105 /nfs/dbraw/zinc/15/21/05/945152105.db2.gz MCHAJRJZVCMMFU-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC001266551989 939161417 /nfs/dbraw/zinc/16/14/17/939161417.db2.gz HMACVHLQIZSRET-DZGCQCFKSA-N 1 3 322.409 0.338 20 0 DCADHO C[NH+](C)CCN1C[C@@]2(CCN(C[C@H]3CCCO3)C2)OCC1=O ZINC001273071981 945232338 /nfs/dbraw/zinc/23/23/38/945232338.db2.gz LFIHKUNUDJBPSQ-ZBFHGGJFSA-N 1 3 311.426 0.030 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)CCCC[NH+](C)C)C(N)=O ZINC001266880649 939265165 /nfs/dbraw/zinc/26/51/65/939265165.db2.gz NLRZWAZZYSHNBQ-ZIAGYGMSSA-N 1 3 312.458 0.563 20 0 DCADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=O)NC)N(C)C ZINC001267179341 939372595 /nfs/dbraw/zinc/37/25/95/939372595.db2.gz OMBHUAOIYINNTM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NC)N(C)C ZINC001267179341 939372599 /nfs/dbraw/zinc/37/25/99/939372599.db2.gz OMBHUAOIYINNTM-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267429100 939454248 /nfs/dbraw/zinc/45/42/48/939454248.db2.gz OIOLAUOVUGPPRM-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](NC(=O)CNCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267429100 939454249 /nfs/dbraw/zinc/45/42/49/939454249.db2.gz OIOLAUOVUGPPRM-ZIAGYGMSSA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001267509119 939480522 /nfs/dbraw/zinc/48/05/22/939480522.db2.gz NPSCAXNCMNITIP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO CNC(=O)CN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001267509119 939480524 /nfs/dbraw/zinc/48/05/24/939480524.db2.gz NPSCAXNCMNITIP-CQSZACIVSA-N 1 3 312.458 0.291 20 0 DCADHO Cn1cc(CCN2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)cn1 ZINC001481054642 939542476 /nfs/dbraw/zinc/54/24/76/939542476.db2.gz PSKGXXBCSGTXOQ-MRXNPFEDSA-N 1 3 321.469 0.885 20 0 DCADHO CN(C)C1(C(=O)NCc2ccc(C[NH2+]CCO)cc2)CCC1 ZINC001267938268 939708172 /nfs/dbraw/zinc/70/81/72/939708172.db2.gz QAMFXTLVEUACNI-UHFFFAOYSA-N 1 3 305.422 0.869 20 0 DCADHO C[C@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC1CC1 ZINC001481319326 939745562 /nfs/dbraw/zinc/74/55/62/939745562.db2.gz AJJIBAIZIKVKGE-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO O[C@H]1CC[N@H+](Cc2ccccc2CNC2COCCOC2)C1 ZINC001462087322 1013049049 /nfs/dbraw/zinc/04/90/49/1013049049.db2.gz SRHRFTPOQJFRIY-KRWDZBQOSA-N 1 3 306.406 0.758 20 0 DCADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNC2COCCOC2)C1 ZINC001462087322 1013049062 /nfs/dbraw/zinc/04/90/62/1013049062.db2.gz SRHRFTPOQJFRIY-KRWDZBQOSA-N 1 3 306.406 0.758 20 0 DCADHO CNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481444035 939794624 /nfs/dbraw/zinc/79/46/24/939794624.db2.gz JHTKWXNHNKZLBO-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001481459426 939806973 /nfs/dbraw/zinc/80/69/73/939806973.db2.gz ZOUGPKLGYIOCSN-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001481459426 939806978 /nfs/dbraw/zinc/80/69/78/939806978.db2.gz ZOUGPKLGYIOCSN-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCCNC2=O)C1 ZINC001481505954 939906088 /nfs/dbraw/zinc/90/60/88/939906088.db2.gz VJKPPLXZSVWEEN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCCNC2=O)C1 ZINC001481505954 939906090 /nfs/dbraw/zinc/90/60/90/939906090.db2.gz VJKPPLXZSVWEEN-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001268303467 940042078 /nfs/dbraw/zinc/04/20/78/940042078.db2.gz ANEYXTNVCJLQDJ-LOWFTVKWSA-N 1 3 303.834 0.678 20 0 DCADHO C[C@H](CCNCc1ccn(C)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001268395737 940102508 /nfs/dbraw/zinc/10/25/08/940102508.db2.gz FFTSLOPGJGYVBJ-CYBMUJFWSA-N 1 3 307.442 0.746 20 0 DCADHO CCN(CCNCC(=O)N1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001268475036 940173017 /nfs/dbraw/zinc/17/30/17/940173017.db2.gz XVCJCSJYVAAHRW-UHFFFAOYSA-N 1 3 324.469 0.389 20 0 DCADHO CCn1nncc1CNCC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001481904423 940176898 /nfs/dbraw/zinc/17/68/98/940176898.db2.gz FQHZHOUFEQTFLY-UHFFFAOYSA-N 1 3 322.457 0.768 20 0 DCADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1CCNC[C@@H]1F ZINC001245973848 945303782 /nfs/dbraw/zinc/30/37/82/945303782.db2.gz LEEHGTQTVPVHIS-BYNSBNAKSA-N 1 3 317.355 0.485 20 0 DCADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001268551687 940230864 /nfs/dbraw/zinc/23/08/64/940230864.db2.gz IKVNBRBJVHDFLG-GZLNQGQSSA-N 1 3 312.458 0.311 20 0 DCADHO NC1(C[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CCCC1 ZINC001245977545 945304611 /nfs/dbraw/zinc/30/46/11/945304611.db2.gz YCWQGFGFRXSEFK-OAHLLOKOSA-N 1 3 308.422 0.822 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482061321 940239653 /nfs/dbraw/zinc/23/96/53/940239653.db2.gz DTSSEFOEIGLCTK-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482061321 940239655 /nfs/dbraw/zinc/23/96/55/940239655.db2.gz DTSSEFOEIGLCTK-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482102078 940256995 /nfs/dbraw/zinc/25/69/95/940256995.db2.gz JBIDUPXVSALAGN-BPLDGKMQSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1nccnc1CNC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482102078 940256997 /nfs/dbraw/zinc/25/69/97/940256997.db2.gz JBIDUPXVSALAGN-BPLDGKMQSA-N 1 3 319.453 0.967 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC001268797375 940364186 /nfs/dbraw/zinc/36/41/86/940364186.db2.gz LFIKRYLIMYLKTO-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)NC1CC1 ZINC001268801241 940365441 /nfs/dbraw/zinc/36/54/41/940365441.db2.gz DOJLSLHSYHXWEL-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO O=C(CC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1)N1CCNCC1 ZINC001246108029 945336738 /nfs/dbraw/zinc/33/67/38/945336738.db2.gz JVJZRURTYAFYMJ-IRXDYDNUSA-N 1 3 316.449 0.891 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC(=O)NC)C1)N(C)C ZINC001269791369 940778908 /nfs/dbraw/zinc/77/89/08/940778908.db2.gz OXSNMJNLOPUUQZ-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)N(C)C(=O)[C@@H]1CCCN1C ZINC001482264879 940834686 /nfs/dbraw/zinc/83/46/86/940834686.db2.gz CSAZJHKDKWSAMC-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001422455979 940875689 /nfs/dbraw/zinc/87/56/89/940875689.db2.gz QHIMJHZCWAEQHS-STQMWFEESA-N 1 3 300.447 0.334 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001271700410 941425815 /nfs/dbraw/zinc/42/58/15/941425815.db2.gz RHNWALYHYAVBEP-GJZGRUSLSA-N 1 3 322.457 0.304 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001271721002 941429874 /nfs/dbraw/zinc/42/98/74/941429874.db2.gz JBCXCKRMVGNRAU-GJZGRUSLSA-N 1 3 322.457 0.302 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001482531503 941459550 /nfs/dbraw/zinc/45/95/50/941459550.db2.gz ALNXXUNYPUSADB-TZMCWYRMSA-N 1 3 312.458 0.336 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001271931084 941482526 /nfs/dbraw/zinc/48/25/26/941482526.db2.gz GTACJNANOBLCIL-HNNXBMFYSA-N 1 3 308.470 0.709 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001271931411 941483645 /nfs/dbraw/zinc/48/36/45/941483645.db2.gz PDAPWKPZUKVWQB-OAHLLOKOSA-N 1 3 308.470 0.567 20 0 DCADHO CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001424240228 941588922 /nfs/dbraw/zinc/58/89/22/941588922.db2.gz OYXXZZXJWJALGP-KGLIPLIRSA-N 1 3 301.431 0.179 20 0 DCADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172088 941920451 /nfs/dbraw/zinc/92/04/51/941920451.db2.gz HZLYPNYZUDARMS-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001409376526 941970607 /nfs/dbraw/zinc/97/06/07/941970607.db2.gz ODHOTYOLYGVSKW-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001413032876 942218293 /nfs/dbraw/zinc/21/82/93/942218293.db2.gz UKJHDSLSHPCFKS-DOTOQJQBSA-N 1 3 311.470 0.486 20 0 DCADHO C[C@H](CN1CCOCC1)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001413032876 942218295 /nfs/dbraw/zinc/21/82/95/942218295.db2.gz UKJHDSLSHPCFKS-DOTOQJQBSA-N 1 3 311.470 0.486 20 0 DCADHO C[C@H](CN(C)C[C@@H]1CCc2ncnn21)NC(=O)CC[NH+](C)C ZINC001483381235 942315804 /nfs/dbraw/zinc/31/58/04/942315804.db2.gz IXGONJNUPFJYAP-OLZOCXBDSA-N 1 3 308.430 0.154 20 0 DCADHO CC[C@H](C(=O)N(C)CCC[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001483474628 942377254 /nfs/dbraw/zinc/37/72/54/942377254.db2.gz SJIQJOYEGXXMMA-UONOGXRCSA-N 1 3 322.457 0.544 20 0 DCADHO CCn1nncc1CNCCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001483504571 942391959 /nfs/dbraw/zinc/39/19/59/942391959.db2.gz WMRACFVDRLIQKT-UHFFFAOYSA-N 1 3 320.441 0.332 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1CC1)C(N)=O ZINC001483559985 942418444 /nfs/dbraw/zinc/41/84/44/942418444.db2.gz ABPYBAWQTZKEPM-TZMCWYRMSA-N 1 3 324.469 0.609 20 0 DCADHO NC(=O)CNC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001484002034 943078776 /nfs/dbraw/zinc/07/87/76/943078776.db2.gz SHHXDHQFAZYMAB-LSDHHAIUSA-N 1 3 322.453 0.078 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484146929 943164176 /nfs/dbraw/zinc/16/41/76/943164176.db2.gz JHAGJEVHYKNAGR-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484146929 943164182 /nfs/dbraw/zinc/16/41/82/943164182.db2.gz JHAGJEVHYKNAGR-KBPBESRZSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH+](C)CC1(C(=O)NCC2(NCC(=O)NC3CC3)CCC2)CC1 ZINC001484648419 943496269 /nfs/dbraw/zinc/49/62/69/943496269.db2.gz AVRHEBIKRRCOEO-UHFFFAOYSA-N 1 3 322.453 0.235 20 0 DCADHO CCC1([NH2+]CC(=O)NC)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001484816892 943587039 /nfs/dbraw/zinc/58/70/39/943587039.db2.gz RTPIGJCHMUYGKH-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490923330 943681653 /nfs/dbraw/zinc/68/16/53/943681653.db2.gz ZXPGLFGIIURRSB-HAQNSBGRSA-N 1 3 311.455 0.925 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@]23CCOC3)C1 ZINC001491079533 943736741 /nfs/dbraw/zinc/73/67/41/943736741.db2.gz DERSDIIVONECKB-MPTYRVRUSA-N 1 3 309.454 0.990 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCCC1 ZINC001495573720 943736955 /nfs/dbraw/zinc/73/69/55/943736955.db2.gz AWLKSDGKZGGYMC-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@]23CCOC3)C1 ZINC001491073753 943739339 /nfs/dbraw/zinc/73/93/39/943739339.db2.gz RLIVPMSRIQXQTN-LJIGWXMPSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)NCC(C)(C)C ZINC001485189628 943745841 /nfs/dbraw/zinc/74/58/41/943745841.db2.gz NDUUXWSXRVNPOC-QWHCGFSZSA-N 1 3 314.474 0.583 20 0 DCADHO Cc1cc(C)n(CCN(C)[C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001485344702 943857837 /nfs/dbraw/zinc/85/78/37/943857837.db2.gz FAPHHXLDWNXYTK-HNNXBMFYSA-N 1 3 309.458 0.888 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001491332984 943925158 /nfs/dbraw/zinc/92/51/58/943925158.db2.gz XCDNAJXRVMSFHF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001491332984 943925159 /nfs/dbraw/zinc/92/51/59/943925159.db2.gz XCDNAJXRVMSFHF-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCC[C@@H](CN[C@@H](C)C(=O)NC)NC(=O)C12CC[NH+](CC1)C2 ZINC001485470974 943952843 /nfs/dbraw/zinc/95/28/43/943952843.db2.gz VVWHSIRNNADPPT-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001485686179 944080071 /nfs/dbraw/zinc/08/00/71/944080071.db2.gz KMTRZMWWSYLJRU-YRGRVCCFSA-N 1 3 310.442 0.219 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001485767088 944126786 /nfs/dbraw/zinc/12/67/86/944126786.db2.gz DJMJJZYIRXOMMP-OAHLLOKOSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001485767088 944126788 /nfs/dbraw/zinc/12/67/88/944126788.db2.gz DJMJJZYIRXOMMP-OAHLLOKOSA-N 1 3 324.469 0.480 20 0 DCADHO COC(C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1)OC ZINC001276641982 944242944 /nfs/dbraw/zinc/24/29/44/944242944.db2.gz DZBBUSLWLVQUKJ-UHFFFAOYSA-N 1 3 313.442 0.481 20 0 DCADHO Cc1ncc(CN2CCC[C@@]3(CN(CC[NH+](C)C)CCO3)C2)[nH]1 ZINC001276682411 944260791 /nfs/dbraw/zinc/26/07/91/944260791.db2.gz LZKCDETUNWJMHX-QGZVFWFLSA-N 1 3 321.469 0.947 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@@H]1CCN(C)C1=O ZINC001485960293 944448440 /nfs/dbraw/zinc/44/84/40/944448440.db2.gz CZQNYUNQZLXCPR-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCC(=O)N1CCC1 ZINC001485961886 944450043 /nfs/dbraw/zinc/45/00/43/944450043.db2.gz UERIEISCINTWON-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C[C@H]1C ZINC001486127089 944605220 /nfs/dbraw/zinc/60/52/20/944605220.db2.gz FBAJMJPNIKLZKT-ZIAGYGMSSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)[C@@H]2C1 ZINC001486165965 944614410 /nfs/dbraw/zinc/61/44/10/944614410.db2.gz IAPNNQZSJSQAQR-BFHYXJOUSA-N 1 3 310.442 0.029 20 0 DCADHO C[C@@H](O)CCC[NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001277046350 944638938 /nfs/dbraw/zinc/63/89/38/944638938.db2.gz OWTIFEWULZRXGF-FZKCQIBNSA-N 1 3 311.470 0.974 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001486346664 944831713 /nfs/dbraw/zinc/83/17/13/944831713.db2.gz IPKBFFCMYWEXPW-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001486346664 944831717 /nfs/dbraw/zinc/83/17/17/944831717.db2.gz IPKBFFCMYWEXPW-SOUVJXGZSA-N 1 3 315.458 0.114 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001317340534 944931689 /nfs/dbraw/zinc/93/16/89/944931689.db2.gz YLEQRGWWZXSEJQ-CABCVRRESA-N 1 3 320.441 0.058 20 0 DCADHO Cn1cncc1N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001277769868 944973041 /nfs/dbraw/zinc/97/30/41/944973041.db2.gz XHBXJIPUSKDYBC-INIZCTEOSA-N 1 3 307.442 0.653 20 0 DCADHO CN(C)C(=O)[C@H]1CCN(CC2CC[NH2+]CC2)Cc2ccnn21 ZINC001277821094 944993927 /nfs/dbraw/zinc/99/39/27/944993927.db2.gz DCVIKDPZDOUPPE-OAHLLOKOSA-N 1 3 305.426 0.718 20 0 DCADHO COC(=O)CC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277864930 945014719 /nfs/dbraw/zinc/01/47/19/945014719.db2.gz OLNIQXVWPPXTBV-OKILXGFUSA-N 1 3 311.426 0.282 20 0 DCADHO COC(=O)CC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277864930 945014728 /nfs/dbraw/zinc/01/47/28/945014728.db2.gz OLNIQXVWPPXTBV-OKILXGFUSA-N 1 3 311.426 0.282 20 0 DCADHO CCOC(=O)CCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277876889 945018839 /nfs/dbraw/zinc/01/88/39/945018839.db2.gz CPWDHNPLLKXWGG-KBPBESRZSA-N 1 3 323.437 0.472 20 0 DCADHO CCOC(=O)CCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277876889 945018849 /nfs/dbraw/zinc/01/88/49/945018849.db2.gz CPWDHNPLLKXWGG-KBPBESRZSA-N 1 3 323.437 0.472 20 0 DCADHO CC(=O)NCC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001277909740 945036395 /nfs/dbraw/zinc/03/63/95/945036395.db2.gz GDZJQOUQTSLIQV-UHFFFAOYSA-N 1 3 305.426 0.417 20 0 DCADHO COC(=O)[C@@H]1C[C@H](NCc2cccc(N3CC[NH2+]CC3)c2)CN1 ZINC001246339646 945389572 /nfs/dbraw/zinc/38/95/72/945389572.db2.gz AJTFWXHRXLEHNI-HOCLYGCPSA-N 1 3 318.421 0.089 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCOCC3CC3)C2)C1 ZINC001278444075 945399816 /nfs/dbraw/zinc/39/98/16/945399816.db2.gz OACCYLIXCRXMPV-WBVHZDCISA-N 1 3 309.454 0.945 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(CCOCC3CC3)C2)C1 ZINC001278444075 945399824 /nfs/dbraw/zinc/39/98/24/945399824.db2.gz OACCYLIXCRXMPV-WBVHZDCISA-N 1 3 309.454 0.945 20 0 DCADHO c1cc(CN[C@H]2CCNC3(C[NH2+]C3)C2)nc(OC2CCC2)n1 ZINC001246398379 945404613 /nfs/dbraw/zinc/40/46/13/945404613.db2.gz WDUPIRADWRWDBQ-LBPRGKRZSA-N 1 3 303.410 0.592 20 0 DCADHO c1cncc(C2(NC3C[C@@H]4COC[C@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246423753 945409016 /nfs/dbraw/zinc/40/90/16/945409016.db2.gz OJDREVCGGYYZEC-MQVJKMGUSA-N 1 3 302.422 0.769 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]CCO)CCCC[C@@H]1C ZINC001318757048 945440119 /nfs/dbraw/zinc/44/01/19/945440119.db2.gz GFUUAOQTYINLOE-BLLLJJGKSA-N 1 3 308.426 0.908 20 0 DCADHO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+](C1CCNCC1)C2 ZINC001246743929 945482313 /nfs/dbraw/zinc/48/23/13/945482313.db2.gz ZGUVRSCYLRNARH-PBHICJAKSA-N 1 3 309.454 0.849 20 0 DCADHO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](C1CCNCC1)C2 ZINC001246743929 945482316 /nfs/dbraw/zinc/48/23/16/945482316.db2.gz ZGUVRSCYLRNARH-PBHICJAKSA-N 1 3 309.454 0.849 20 0 DCADHO O=C(c1cccnc1)N1C[C@H]2C[NH+](C3CCNCC3)C[C@@H]2C1 ZINC001246765780 945486099 /nfs/dbraw/zinc/48/60/99/945486099.db2.gz KSKUHTULXMEWGO-HUUCEWRRSA-N 1 3 300.406 0.837 20 0 DCADHO Cc1cc(C)nc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)n1 ZINC001246787974 945491327 /nfs/dbraw/zinc/49/13/27/945491327.db2.gz GMUIZUURLXIMPN-HNNXBMFYSA-N 1 3 316.453 0.309 20 0 DCADHO COCCC[N@H+](C1CCNCC1)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246834695 945502284 /nfs/dbraw/zinc/50/22/84/945502284.db2.gz FVHDPTMFRWPWBK-CABCVRRESA-N 1 3 313.442 0.371 20 0 DCADHO COCCC[N@@H+](C1CCNCC1)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246834695 945502288 /nfs/dbraw/zinc/50/22/88/945502288.db2.gz FVHDPTMFRWPWBK-CABCVRRESA-N 1 3 313.442 0.371 20 0 DCADHO O[C@H]1C[NH2+]C[C@@H](c2nc(-c3ccc4c(n3)CCNC4)no2)C1 ZINC001247748873 945571546 /nfs/dbraw/zinc/57/15/46/945571546.db2.gz MFLMDBMQVOXCDA-WDEREUQCSA-N 1 3 301.350 0.215 20 0 DCADHO O[C@H]1C[NH2+]CC[C@H]1c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247759163 945575057 /nfs/dbraw/zinc/57/50/57/945575057.db2.gz WYFYTOQQIKPOAN-MFKMUULPSA-N 1 3 301.350 0.215 20 0 DCADHO COc1ncc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1C ZINC001247852006 945578063 /nfs/dbraw/zinc/57/80/63/945578063.db2.gz PQNCWCZBNVTGQI-UHFFFAOYSA-N 1 3 301.350 0.509 20 0 DCADHO c1cnn(-c2cccc(-c3noc(C45CNCC4C[NH2+]C5)n3)c2)c1 ZINC001247850948 945579654 /nfs/dbraw/zinc/57/96/54/945579654.db2.gz KPJLXFBKSHGJMK-UHFFFAOYSA-N 1 3 322.372 0.983 20 0 DCADHO Cc1noc(CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)n1 ZINC001319438224 945588014 /nfs/dbraw/zinc/58/80/14/945588014.db2.gz YMHRRCQWPDDQID-TZMCWYRMSA-N 1 3 323.441 0.841 20 0 DCADHO CCOC[C@H](O)CN1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001252024887 945838407 /nfs/dbraw/zinc/83/84/07/945838407.db2.gz QZPXPGFLSJVEQO-BZUAXINKSA-N 1 3 316.442 0.053 20 0 DCADHO CCOC[C@H](O)CN1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001252024887 945838418 /nfs/dbraw/zinc/83/84/18/945838418.db2.gz QZPXPGFLSJVEQO-BZUAXINKSA-N 1 3 316.442 0.053 20 0 DCADHO C[C@@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)CN(C)C1CCC1 ZINC001320445773 945882508 /nfs/dbraw/zinc/88/25/08/945882508.db2.gz KALLOVCJKLBUCJ-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO O=C(C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)NC1CCC1 ZINC001252949114 946036502 /nfs/dbraw/zinc/03/65/02/946036502.db2.gz GRLOPLFHAMVBRH-SFHVURJKSA-N 1 3 317.433 0.882 20 0 DCADHO Cc1n[nH]c(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC001252945615 946039259 /nfs/dbraw/zinc/03/92/59/946039259.db2.gz FOUGRIVGQZSPDL-QGZVFWFLSA-N 1 3 315.421 0.882 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)N(C)C ZINC001410218133 946051207 /nfs/dbraw/zinc/05/12/07/946051207.db2.gz BVPGNUAZLXYNCR-SYQHCUMBSA-N 1 3 310.442 0.090 20 0 DCADHO CCN(CC)C[C@H](O)C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001253185457 946089321 /nfs/dbraw/zinc/08/93/21/946089321.db2.gz RRAFERJTIPJSLQ-JYJNAYRXSA-N 1 3 319.453 0.547 20 0 DCADHO CCS(=O)(=O)N1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253403271 946116766 /nfs/dbraw/zinc/11/67/66/946116766.db2.gz BWDLKNKSQBQKCY-ZDUSSCGKSA-N 1 3 321.487 0.139 20 0 DCADHO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253403271 946116776 /nfs/dbraw/zinc/11/67/76/946116776.db2.gz BWDLKNKSQBQKCY-ZDUSSCGKSA-N 1 3 321.487 0.139 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001410296309 946162103 /nfs/dbraw/zinc/16/21/03/946162103.db2.gz WPEUZXZTNXIHMX-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001253759576 946176748 /nfs/dbraw/zinc/17/67/48/946176748.db2.gz KNHZCHJGDOSWIC-KRWDZBQOSA-N 1 3 321.465 0.827 20 0 DCADHO CC(C)[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001253759576 946176757 /nfs/dbraw/zinc/17/67/57/946176757.db2.gz KNHZCHJGDOSWIC-KRWDZBQOSA-N 1 3 321.465 0.827 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001410381830 946279742 /nfs/dbraw/zinc/27/97/42/946279742.db2.gz BPLKMOPCJAYVDV-AWEZNQCLSA-N 1 3 324.469 0.576 20 0 DCADHO CN1CCC[C@@H]([NH2+]CCS(=O)(=O)N2CCCCC2)CC1 ZINC001254499839 946399586 /nfs/dbraw/zinc/39/95/86/946399586.db2.gz BWKYTMVSBKNLOC-CQSZACIVSA-N 1 3 303.472 0.876 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001410512302 946506347 /nfs/dbraw/zinc/50/63/47/946506347.db2.gz NXYXMEGEOXDOGN-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO COC(=O)[C@H](CN)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256581973 946643104 /nfs/dbraw/zinc/64/31/04/946643104.db2.gz DRXHJUMRCWTBSH-CQSZACIVSA-N 1 3 306.410 0.384 20 0 DCADHO C[C@H]1COCCN1CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683751 946652992 /nfs/dbraw/zinc/65/29/92/946652992.db2.gz GXKLZFDLUHYAPV-GTPINHCMSA-N 1 3 311.470 0.940 20 0 DCADHO CS(=O)(=O)N(C1CNC1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256921024 946678573 /nfs/dbraw/zinc/67/85/73/946678573.db2.gz VNLSBEVMRRXKCN-CYBMUJFWSA-N 1 3 301.456 0.627 20 0 DCADHO CS(=O)(=O)N(C1CNC1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256921024 946678578 /nfs/dbraw/zinc/67/85/78/946678578.db2.gz VNLSBEVMRRXKCN-CYBMUJFWSA-N 1 3 301.456 0.627 20 0 DCADHO CCn1cc(CC[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cn1 ZINC001322648552 946755228 /nfs/dbraw/zinc/75/52/28/946755228.db2.gz NXZVRXKAVKDPRE-MRXNPFEDSA-N 1 3 321.469 0.978 20 0 DCADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CC[C@@H](C)C1)C(=O)NC1CC1 ZINC001322694764 946772533 /nfs/dbraw/zinc/77/25/33/946772533.db2.gz ULKUJWLBZBVMCZ-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001257927814 946782720 /nfs/dbraw/zinc/78/27/20/946782720.db2.gz UGJCFDWPXGMICB-AVGNSLFASA-N 1 3 320.455 0.602 20 0 DCADHO COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC001257927814 946782731 /nfs/dbraw/zinc/78/27/31/946782731.db2.gz UGJCFDWPXGMICB-AVGNSLFASA-N 1 3 320.455 0.602 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322750605 946791988 /nfs/dbraw/zinc/79/19/88/946791988.db2.gz OILCSDJCMFJSLL-KFWWJZLASA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001322796306 946809621 /nfs/dbraw/zinc/80/96/21/946809621.db2.gz NIUXIWZSVLNCFH-OLZOCXBDSA-N 1 3 300.447 0.145 20 0 DCADHO CC(C)[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001410726578 946847030 /nfs/dbraw/zinc/84/70/30/946847030.db2.gz OUSUGPQBDDZVON-DOMZBBRYSA-N 1 3 303.422 0.674 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001410764657 946907552 /nfs/dbraw/zinc/90/75/52/946907552.db2.gz MGNLAYBXZLZGEN-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H](C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001410764657 946907560 /nfs/dbraw/zinc/90/75/60/946907560.db2.gz MGNLAYBXZLZGEN-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@@H]1C ZINC001410844672 947020416 /nfs/dbraw/zinc/02/04/16/947020416.db2.gz JKIQSQJRQZEVKL-KGLIPLIRSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CCC[NH+](C)C ZINC001410847777 947021741 /nfs/dbraw/zinc/02/17/41/947021741.db2.gz FVHZVSMPMXLCPK-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001410853282 947027838 /nfs/dbraw/zinc/02/78/38/947027838.db2.gz MACJXTSOTZWOQY-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001410861217 947044495 /nfs/dbraw/zinc/04/44/95/947044495.db2.gz RBRFSQABZGYPBA-GXTWGEPZSA-N 1 3 310.442 0.043 20 0 DCADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CCc1cnn(C)c1 ZINC001493023710 947061287 /nfs/dbraw/zinc/06/12/87/947061287.db2.gz YSMHOPAMNCZXRT-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CCc1cnn(C)c1 ZINC001493023710 947061300 /nfs/dbraw/zinc/06/13/00/947061300.db2.gz YSMHOPAMNCZXRT-HNNXBMFYSA-N 1 3 321.469 0.743 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1N(CCn1cncn1)CC2 ZINC001410894122 947097639 /nfs/dbraw/zinc/09/76/39/947097639.db2.gz HOPWKTHMZOPXQI-GDBMZVCRSA-N 1 3 320.441 0.343 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCn2cccn2)C1 ZINC001324225076 947358284 /nfs/dbraw/zinc/35/82/84/947358284.db2.gz HYKTUWVAXYKDPF-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO COc1cccc([C@H](CNC(=O)CNCC[NH3+])N2CCCC2)c1 ZINC001263093141 947805426 /nfs/dbraw/zinc/80/54/26/947805426.db2.gz QGQOVFCALWIGRC-INIZCTEOSA-N 1 3 320.437 0.497 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001179652098 947881276 /nfs/dbraw/zinc/88/12/76/947881276.db2.gz OWXVQENFAWQCCJ-KKUMJFAQSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001487921727 948358374 /nfs/dbraw/zinc/35/83/74/948358374.db2.gz VSJSYXKZAAIBAZ-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001487921727 948358377 /nfs/dbraw/zinc/35/83/77/948358377.db2.gz VSJSYXKZAAIBAZ-CHWSQXEVSA-N 1 3 321.425 0.257 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001488742546 949188131 /nfs/dbraw/zinc/18/81/31/949188131.db2.gz UXXWMVUDFBZDRF-MJBXVCDLSA-N 1 3 322.453 0.186 20 0 DCADHO COC(=O)CCN1CCC[C@H](N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC001364499600 949436024 /nfs/dbraw/zinc/43/60/24/949436024.db2.gz BNSIEXQVKHRTMG-KEYYUXOJSA-N 1 3 323.437 0.424 20 0 DCADHO COC(=O)CCN1CCC[C@H](N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC001364499600 949436033 /nfs/dbraw/zinc/43/60/33/949436033.db2.gz BNSIEXQVKHRTMG-KEYYUXOJSA-N 1 3 323.437 0.424 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001329706958 949800514 /nfs/dbraw/zinc/80/05/14/949800514.db2.gz YYWJRLPCMIUFNN-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCNC(=O)C3CC3)C2)CCC1 ZINC001265910799 950129595 /nfs/dbraw/zinc/12/95/95/950129595.db2.gz PDHDHHIJFXOHAC-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO CN(CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCCNC1=O ZINC001490194848 950413840 /nfs/dbraw/zinc/41/38/40/950413840.db2.gz CEFJURXMFAUKHQ-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001365306478 950923672 /nfs/dbraw/zinc/92/36/72/950923672.db2.gz OEOFMXIOFJARAF-YESZJQIVSA-N 1 3 319.449 0.888 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001365306478 950923682 /nfs/dbraw/zinc/92/36/82/950923682.db2.gz OEOFMXIOFJARAF-YESZJQIVSA-N 1 3 319.449 0.888 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCC[C@H](C)C1 ZINC001331194959 951011210 /nfs/dbraw/zinc/01/12/10/951011210.db2.gz DHEHGBSWPSPKLJ-XUXIUFHCSA-N 1 3 310.442 0.077 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490734357 951060343 /nfs/dbraw/zinc/06/03/43/951060343.db2.gz AACAKMDPGLMQLH-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490734357 951060351 /nfs/dbraw/zinc/06/03/51/951060351.db2.gz AACAKMDPGLMQLH-GJZGRUSLSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC001331318550 951070584 /nfs/dbraw/zinc/07/05/84/951070584.db2.gz ILEXXTAUCAQEGF-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCO[C@@H]1CC1(F)F ZINC001331562859 951174969 /nfs/dbraw/zinc/17/49/69/951174969.db2.gz BHAWTBVQLWCXNL-ZYHUDNBSSA-N 1 3 316.352 0.813 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(N)=O ZINC001274038115 951347413 /nfs/dbraw/zinc/34/74/13/951347413.db2.gz VNAVZCYEJZHIEQ-XXWFEYIXSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@@H](NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(N)=O ZINC001274038115 951347425 /nfs/dbraw/zinc/34/74/25/951347425.db2.gz VNAVZCYEJZHIEQ-XXWFEYIXSA-N 1 3 310.442 0.243 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)C)C1)N(C)C ZINC001365827064 951588964 /nfs/dbraw/zinc/58/89/64/951588964.db2.gz QFLAIURCKFLHGD-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001274642973 951760384 /nfs/dbraw/zinc/76/03/84/951760384.db2.gz KJEQZYZEFHNHSB-HOCLYGCPSA-N 1 3 313.442 0.012 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001274642973 951760393 /nfs/dbraw/zinc/76/03/93/951760393.db2.gz KJEQZYZEFHNHSB-HOCLYGCPSA-N 1 3 313.442 0.012 20 0 DCADHO C[C@H](C[NH2+]CCn1cncn1)NC(=O)C(C)(C)N1CCCCC1 ZINC001274753468 951824960 /nfs/dbraw/zinc/82/49/60/951824960.db2.gz UNSHXTXJHAIYGM-CQSZACIVSA-N 1 3 322.457 0.637 20 0 DCADHO CC(C)[NH+]1CCN(CCCC(=O)NCCN2CC=CC2)CC1 ZINC001333098544 951918024 /nfs/dbraw/zinc/91/80/24/951918024.db2.gz ABOXDRVJODRZKX-UHFFFAOYSA-N 1 3 308.470 0.781 20 0 DCADHO CN1CCN(C[C@H](O)CNCC[N@H+](C)C2CCCCC2)CC1 ZINC001335351882 952524648 /nfs/dbraw/zinc/52/46/48/952524648.db2.gz QIGYZZFIHTUKTH-QGZVFWFLSA-N 1 3 312.502 0.449 20 0 DCADHO CN1CCN(C[C@H](O)CNCC[N@@H+](C)C2CCCCC2)CC1 ZINC001335351882 952524653 /nfs/dbraw/zinc/52/46/53/952524653.db2.gz QIGYZZFIHTUKTH-QGZVFWFLSA-N 1 3 312.502 0.449 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@H](O)CCC2(O)CCC2)CC1 ZINC001335354351 952524671 /nfs/dbraw/zinc/52/46/71/952524671.db2.gz ZSHQAGBBRKFSLG-MRXNPFEDSA-N 1 3 313.486 0.660 20 0 DCADHO CON(C)C(=O)CC[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001335943859 952623945 /nfs/dbraw/zinc/62/39/45/952623945.db2.gz ZFHVCINCEOMZEY-OKILXGFUSA-N 1 3 301.431 0.875 20 0 DCADHO C[C@@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@H](C)CN1 ZINC001336193989 952658636 /nfs/dbraw/zinc/65/86/36/952658636.db2.gz RYRKEDOFIQAMQP-HUUCEWRRSA-N 1 3 311.474 0.454 20 0 DCADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)NCc1ccccn1 ZINC001336819119 952771289 /nfs/dbraw/zinc/77/12/89/952771289.db2.gz DKVDXALGLSILPX-HNNXBMFYSA-N 1 3 306.410 0.134 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)CC3(O)CCC3)CC2)CC1 ZINC001412480149 952833222 /nfs/dbraw/zinc/83/32/22/952833222.db2.gz VHYZHLVDDURLHO-UHFFFAOYSA-N 1 3 309.454 0.966 20 0 DCADHO CCN1CC[C@@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001412540763 952879551 /nfs/dbraw/zinc/87/95/51/952879551.db2.gz JXKRVWXATXXGOI-HZPDHXFCSA-N 1 3 308.470 0.708 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001412721283 953020177 /nfs/dbraw/zinc/02/01/77/953020177.db2.gz FYVVLHFEGGFTAD-GFCCVEGCSA-N 1 3 309.414 0.257 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001412721283 953020181 /nfs/dbraw/zinc/02/01/81/953020181.db2.gz FYVVLHFEGGFTAD-GFCCVEGCSA-N 1 3 309.414 0.257 20 0 DCADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001490860107 953128753 /nfs/dbraw/zinc/12/87/53/953128753.db2.gz FEWKRCLZQWEXCC-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC(=O)NC)C1)N(C)C ZINC001365887790 953363185 /nfs/dbraw/zinc/36/31/85/953363185.db2.gz JIKODNLMZZHHKB-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001366000566 953555878 /nfs/dbraw/zinc/55/58/78/953555878.db2.gz TZTIKPKKMFQVMB-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001366000566 953555883 /nfs/dbraw/zinc/55/58/83/953555883.db2.gz TZTIKPKKMFQVMB-OAHLLOKOSA-N 1 3 321.469 0.885 20 0 DCADHO [NH3+]CCCSCCC(=O)N1CCC2(CC1)CNCCO2 ZINC001345110148 953594196 /nfs/dbraw/zinc/59/41/96/953594196.db2.gz ZAABRCOQBDJWMU-UHFFFAOYSA-N 1 3 301.456 0.440 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C)C1)N(C)C ZINC001366160278 953758302 /nfs/dbraw/zinc/75/83/02/953758302.db2.gz QMPOAVCNIAMQLS-ZNMIVQPWSA-N 1 3 307.442 0.806 20 0 DCADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001366219546 953843620 /nfs/dbraw/zinc/84/36/20/953843620.db2.gz RWOCCTYQZGNOKV-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001366281313 953950163 /nfs/dbraw/zinc/95/01/63/953950163.db2.gz CZYCDKCTJPHZFO-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001366281313 953950172 /nfs/dbraw/zinc/95/01/72/953950172.db2.gz CZYCDKCTJPHZFO-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C(=O)NCCNC(=O)C(C)(C)[NH+]1CCCC1)N(C)C ZINC001283085954 953993160 /nfs/dbraw/zinc/99/31/60/953993160.db2.gz JDMQZHXSROYIAG-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001366407684 954162578 /nfs/dbraw/zinc/16/25/78/954162578.db2.gz JOIPNKWJWXJZPY-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001366441015 954199589 /nfs/dbraw/zinc/19/95/89/954199589.db2.gz UZDHRCWPQIVLOK-GJZGRUSLSA-N 1 3 322.457 0.635 20 0 DCADHO COC[C@@H](O)CN(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001366573593 954445798 /nfs/dbraw/zinc/44/57/98/954445798.db2.gz IOGKOBCRSOJHNM-HNNXBMFYSA-N 1 3 315.458 0.162 20 0 DCADHO CCN(CC)CC(=O)NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001349049219 954582543 /nfs/dbraw/zinc/58/25/43/954582543.db2.gz FRMHPRQKAQPULF-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001366780182 954839410 /nfs/dbraw/zinc/83/94/10/954839410.db2.gz IMIMZRVSNGZQQY-QWHCGFSZSA-N 1 3 310.442 0.030 20 0 DCADHO Cn1cncc1C[N@@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001366853953 954940969 /nfs/dbraw/zinc/94/09/69/954940969.db2.gz NJGOLCKHNUVKKL-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1cncc1C[N@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001366853953 954940975 /nfs/dbraw/zinc/94/09/75/954940975.db2.gz NJGOLCKHNUVKKL-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001367100254 955310875 /nfs/dbraw/zinc/31/08/75/955310875.db2.gz ZCZNRBPVEPUHGY-VNHYZAJKSA-N 1 3 307.442 0.745 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1ccnn1C ZINC001367100254 955310885 /nfs/dbraw/zinc/31/08/85/955310885.db2.gz ZCZNRBPVEPUHGY-VNHYZAJKSA-N 1 3 307.442 0.745 20 0 DCADHO CCN(CC)CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001351510114 955316870 /nfs/dbraw/zinc/31/68/70/955316870.db2.gz TZHULVFCNCWBJE-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CCN(CC)CC(=O)N(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001351510114 955316879 /nfs/dbraw/zinc/31/68/79/955316879.db2.gz TZHULVFCNCWBJE-CQSZACIVSA-N 1 3 312.458 0.245 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cnn(C)c1 ZINC001367127374 955360894 /nfs/dbraw/zinc/36/08/94/955360894.db2.gz LLDWZQXPUHUUOV-OAHLLOKOSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCCC1=O ZINC001367128084 955364172 /nfs/dbraw/zinc/36/41/72/955364172.db2.gz QLIIUDZGVGGYBU-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCNC(=O)CNCC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001367155475 955411175 /nfs/dbraw/zinc/41/11/75/955411175.db2.gz LGMVJTXBALETHV-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367227231 955485198 /nfs/dbraw/zinc/48/51/98/955485198.db2.gz RCSMZXONRPYYKY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367227231 955485204 /nfs/dbraw/zinc/48/52/04/955485204.db2.gz RCSMZXONRPYYKY-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001367326732 955650239 /nfs/dbraw/zinc/65/02/39/955650239.db2.gz OWUINEDKSLMIQL-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO NC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001367326732 955650248 /nfs/dbraw/zinc/65/02/48/955650248.db2.gz OWUINEDKSLMIQL-KBPBESRZSA-N 1 3 322.453 0.507 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCNCCC12CCC2 ZINC001353283756 956002723 /nfs/dbraw/zinc/00/27/23/956002723.db2.gz AKTMBLPJSQOSKS-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(NCCC[NH+]1CCCC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001355214141 956618142 /nfs/dbraw/zinc/61/81/42/956618142.db2.gz HRQQOLUOZQPQQO-HOTGVXAUSA-N 1 3 324.469 0.713 20 0 DCADHO CN(CCc1ccccc1)CC(=O)N1CCNCC[NH2+]CC1 ZINC001358222937 957437245 /nfs/dbraw/zinc/43/72/45/957437245.db2.gz BDIRCMQYBGAJAD-UHFFFAOYSA-N 1 3 304.438 0.182 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCCNC(=O)CN2CCCC2)C1 ZINC001294089633 957479907 /nfs/dbraw/zinc/47/99/07/957479907.db2.gz QZJIVDAYYLZKRA-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCNC(=O)CN2CCCC2)C1 ZINC001294089633 957479911 /nfs/dbraw/zinc/47/99/11/957479911.db2.gz QZJIVDAYYLZKRA-OAHLLOKOSA-N 1 3 324.469 0.389 20 0 DCADHO COc1ncc(CNC[C@H](C)N(C)C(=O)CC[NH+](C)C)c(C)n1 ZINC001367377033 957740492 /nfs/dbraw/zinc/74/04/92/957740492.db2.gz OGFVHXIFYXZDTF-LBPRGKRZSA-N 1 3 323.441 0.682 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCC1 ZINC001367395674 957764949 /nfs/dbraw/zinc/76/49/49/957764949.db2.gz KYWNEYLWDAWSAF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCCC1 ZINC001367395674 957764954 /nfs/dbraw/zinc/76/49/54/957764954.db2.gz KYWNEYLWDAWSAF-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496081825 957835383 /nfs/dbraw/zinc/83/53/83/957835383.db2.gz WVXOJPGYBDNSAL-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001496081825 957835395 /nfs/dbraw/zinc/83/53/95/957835395.db2.gz WVXOJPGYBDNSAL-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367586649 958122351 /nfs/dbraw/zinc/12/23/51/958122351.db2.gz HSJIBENWALRKST-QLFBSQMISA-N 1 3 320.437 0.297 20 0 DCADHO Cc1cccnc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367586649 958122364 /nfs/dbraw/zinc/12/23/64/958122364.db2.gz HSJIBENWALRKST-QLFBSQMISA-N 1 3 320.437 0.297 20 0 DCADHO CCN1C[C@H](C(=O)N[C@H](C)C[NH2+]CC2CC(F)(F)C2)CC1=O ZINC001367674761 958330528 /nfs/dbraw/zinc/33/05/28/958330528.db2.gz IEEBTORHEXLHPJ-ZYHUDNBSSA-N 1 3 317.380 0.994 20 0 DCADHO C[C@H](CC(N)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001361960901 958543890 /nfs/dbraw/zinc/54/38/90/958543890.db2.gz KCJNWSYUACVLAU-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367849536 958705122 /nfs/dbraw/zinc/70/51/22/958705122.db2.gz MGASHEVDXIFBRM-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367849536 958705146 /nfs/dbraw/zinc/70/51/46/958705146.db2.gz MGASHEVDXIFBRM-KBPBESRZSA-N 1 3 308.430 0.056 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001376816815 958910739 /nfs/dbraw/zinc/91/07/39/958910739.db2.gz ATTLREBYSITBHN-GJZGRUSLSA-N 1 3 322.457 0.635 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001491637414 958989213 /nfs/dbraw/zinc/98/92/13/958989213.db2.gz JWVUKIHAKDQFEA-GXTWGEPZSA-N 1 3 307.442 0.665 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001491637414 958989222 /nfs/dbraw/zinc/98/92/22/958989222.db2.gz JWVUKIHAKDQFEA-GXTWGEPZSA-N 1 3 307.442 0.665 20 0 DCADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccnn1C ZINC001491682517 959042199 /nfs/dbraw/zinc/04/21/99/959042199.db2.gz MIOCRDFEMMRRNJ-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)CC(C)(C)C ZINC001376912302 959121519 /nfs/dbraw/zinc/12/15/19/959121519.db2.gz PCOODYKSQMSGCS-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001368059960 959163492 /nfs/dbraw/zinc/16/34/92/959163492.db2.gz CXPVNXNGGYUYDQ-CJNGLKHVSA-N 1 3 310.442 0.126 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001368090380 959216953 /nfs/dbraw/zinc/21/69/53/959216953.db2.gz CGTSKAPHKHOCSJ-QWHCGFSZSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](NC(=O)CN(C)C(C)C)C1CCCC1 ZINC001368132486 959300311 /nfs/dbraw/zinc/30/03/11/959300311.db2.gz JPDNSRGQXAELFW-AWEZNQCLSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001492084018 959618035 /nfs/dbraw/zinc/61/80/35/959618035.db2.gz QHMZUVGOQDKUOI-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CCCC2)C1 ZINC001368300737 959640576 /nfs/dbraw/zinc/64/05/76/959640576.db2.gz AZXSBEAMKRYDBI-HNNXBMFYSA-N 1 3 309.454 0.824 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN1CCC([NH2+]CCF)CC1)N(C)C ZINC001368360308 959733672 /nfs/dbraw/zinc/73/36/72/959733672.db2.gz LOKVMFJRBYBXKN-HNNXBMFYSA-N 1 3 316.465 0.712 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)CCc1ccnn1C ZINC001377265927 959822024 /nfs/dbraw/zinc/82/20/24/959822024.db2.gz XMXUBPMLDOUIDS-UHFFFAOYSA-N 1 3 307.442 0.352 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cnn(C)c3)C2)CCC1 ZINC001368478730 959920799 /nfs/dbraw/zinc/92/07/99/959920799.db2.gz BRZHEAIQZRKHIL-OTVXOJSOSA-N 1 3 319.453 0.889 20 0 DCADHO CS[C@H]1CN(C(=O)CN(C)[C@@H]2CCC[C@H]2O)C[C@@H]1[NH+](C)C ZINC001362773799 959969084 /nfs/dbraw/zinc/96/90/84/959969084.db2.gz HOFSFJNJSNPXIY-RQJABVFESA-N 1 3 315.483 0.336 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CCn1nc(C)nc1C ZINC001377365223 959978895 /nfs/dbraw/zinc/97/88/95/959978895.db2.gz LSHGBVXBYXMSQN-OAHLLOKOSA-N 1 3 322.457 0.285 20 0 DCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CCn1nc(C)nc1C ZINC001377365223 959978903 /nfs/dbraw/zinc/97/89/03/959978903.db2.gz LSHGBVXBYXMSQN-OAHLLOKOSA-N 1 3 322.457 0.285 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@H](C)C1 ZINC001377381700 960002556 /nfs/dbraw/zinc/00/25/56/960002556.db2.gz KCWRVLCCWBBXFG-CABCVRRESA-N 1 3 322.457 0.587 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@H](C)C1 ZINC001377381700 960002564 /nfs/dbraw/zinc/00/25/64/960002564.db2.gz KCWRVLCCWBBXFG-CABCVRRESA-N 1 3 322.457 0.587 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCn1cncn1 ZINC001368718606 960192743 /nfs/dbraw/zinc/19/27/43/960192743.db2.gz QCLQTLNTDVDHIJ-ZDUSSCGKSA-N 1 3 308.430 0.247 20 0 DCADHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccnn2C)C1 ZINC001368820646 960316664 /nfs/dbraw/zinc/31/66/64/960316664.db2.gz BGLHYHQTLIHUQO-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO CN(CC(=O)NC1CC(C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001377719112 960495657 /nfs/dbraw/zinc/49/56/57/960495657.db2.gz YXYQONJMLGAXOM-PIMMBPRGSA-N 1 3 322.453 0.234 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1ccnn1C ZINC001378317508 960571980 /nfs/dbraw/zinc/57/19/80/960571980.db2.gz LUFJBCYZGHIPDE-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1ccnn1C ZINC001378317508 960571995 /nfs/dbraw/zinc/57/19/95/960571995.db2.gz LUFJBCYZGHIPDE-KGLIPLIRSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)[C@@H](C)C(N)=O)CC1)N(C)C ZINC001377794691 960673021 /nfs/dbraw/zinc/67/30/21/960673021.db2.gz BTWCFXAEVDPIBM-JSGCOSHPSA-N 1 3 312.458 0.371 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)[C@@H](C)C(N)=O)CC1)N(C)C ZINC001377794691 960673029 /nfs/dbraw/zinc/67/30/29/960673029.db2.gz BTWCFXAEVDPIBM-JSGCOSHPSA-N 1 3 312.458 0.371 20 0 DCADHO CCCC[C@H](CN[C@H](C)C(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001378448511 960775916 /nfs/dbraw/zinc/77/59/16/960775916.db2.gz ZNVTYOHRXYKDSA-TZMCWYRMSA-N 1 3 312.458 0.467 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](NC(=O)CC[NH+](C)C)C2)CCC1 ZINC001447022736 1013204528 /nfs/dbraw/zinc/20/45/28/1013204528.db2.gz KWXHMMUJSKVYQL-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCn1nnc(C)c1CN[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001363356692 960969877 /nfs/dbraw/zinc/96/98/77/960969877.db2.gz JUXGUPGZRJZYBA-CQSZACIVSA-N 1 3 306.458 0.865 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CC[C@H](C)C1 ZINC001378544112 960978723 /nfs/dbraw/zinc/97/87/23/960978723.db2.gz JYXPXLKPWKFSEF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN1CC[C@H](C)C1 ZINC001378544112 960978734 /nfs/dbraw/zinc/97/87/34/960978734.db2.gz JYXPXLKPWKFSEF-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO COC[C@H](O)CN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001378111287 961451632 /nfs/dbraw/zinc/45/16/32/961451632.db2.gz HWQQTVUVRPNPNN-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO COC[C@H](O)CN1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001378111287 961451641 /nfs/dbraw/zinc/45/16/41/961451641.db2.gz HWQQTVUVRPNPNN-RBSFLKMASA-N 1 3 313.442 0.059 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3C2)CCC1 ZINC001378792880 961487529 /nfs/dbraw/zinc/48/75/29/961487529.db2.gz ZVFMJBLDNNZKKQ-BFHYXJOUSA-N 1 3 322.453 0.173 20 0 DCADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)CCC1 ZINC001378792880 961487539 /nfs/dbraw/zinc/48/75/39/961487539.db2.gz ZVFMJBLDNNZKKQ-BFHYXJOUSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001378836747 961561512 /nfs/dbraw/zinc/56/15/12/961561512.db2.gz AFOVAJZROXPOPL-STQMWFEESA-N 1 3 322.453 0.186 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001430230259 1013270771 /nfs/dbraw/zinc/27/07/71/1013270771.db2.gz PIZAHNZWBOSALF-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)N1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001430230259 1013270773 /nfs/dbraw/zinc/27/07/73/1013270773.db2.gz PIZAHNZWBOSALF-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001379721269 961851635 /nfs/dbraw/zinc/85/16/35/961851635.db2.gz VSVHUZYBMMRUPN-CJNGLKHVSA-N 1 3 312.458 0.386 20 0 DCADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001379021479 961897848 /nfs/dbraw/zinc/89/78/48/961897848.db2.gz KXJDTYGYWYUJER-HNNXBMFYSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C[C@H](O)CNCc1ccns1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379854543 962150738 /nfs/dbraw/zinc/15/07/38/962150738.db2.gz AILALZKJIOKIGD-VXGBXAGGSA-N 1 3 312.439 0.004 20 0 DCADHO CN(C[C@H](O)CNCc1ccns1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379854543 962150748 /nfs/dbraw/zinc/15/07/48/962150748.db2.gz AILALZKJIOKIGD-VXGBXAGGSA-N 1 3 312.439 0.004 20 0 DCADHO CC[NH+]1CCC(CN2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC001363954304 962188131 /nfs/dbraw/zinc/18/81/31/962188131.db2.gz XJSKVXKPOUMLAG-CQSZACIVSA-N 1 3 303.472 0.732 20 0 DCADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001379238802 962438969 /nfs/dbraw/zinc/43/89/69/962438969.db2.gz FWPGKLBKVLQHKH-GXSJLCMTSA-N 1 3 322.331 0.702 20 0 DCADHO COC[C@@H](O)C[N@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001380000367 962473692 /nfs/dbraw/zinc/47/36/92/962473692.db2.gz SCRARZRWWMMKMJ-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)CCN(C(=O)[C@H]1CCCN1C)C(C)C ZINC001380000367 962473707 /nfs/dbraw/zinc/47/37/07/962473707.db2.gz SCRARZRWWMMKMJ-LSDHHAIUSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCN(CC)C1=O)N(C)C ZINC001379321177 962619189 /nfs/dbraw/zinc/61/91/89/962619189.db2.gz HXLPJANUKJOXIH-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@@H]21 ZINC001364223088 962698141 /nfs/dbraw/zinc/69/81/41/962698141.db2.gz YAPDURGKDRXDDX-BARDWOONSA-N 1 3 308.426 0.195 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C[C@@H]21 ZINC001364223088 962698154 /nfs/dbraw/zinc/69/81/54/962698154.db2.gz YAPDURGKDRXDDX-BARDWOONSA-N 1 3 308.426 0.195 20 0 DCADHO C[NH+](C)CCC(=O)N1CCC2(C1)CCN([C@H]1CCNC1=O)CC2 ZINC001380204363 962859433 /nfs/dbraw/zinc/85/94/33/962859433.db2.gz SUXMCZZYBDMQKN-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](C[NH2+]CC(=O)N1CCCCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001379420114 962884680 /nfs/dbraw/zinc/88/46/80/962884680.db2.gz FGQRAQDYQLZILK-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCC[N@H+](C)CCn1cncn1)C(=O)[C@H]1CCCCN1C ZINC001447340662 1013381697 /nfs/dbraw/zinc/38/16/97/1013381697.db2.gz JTWYSQLSNPYFSL-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)[C@H]1CCCCN1C ZINC001447340662 1013381709 /nfs/dbraw/zinc/38/17/09/1013381709.db2.gz JTWYSQLSNPYFSL-OAHLLOKOSA-N 1 3 322.457 0.543 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001380330386 963044316 /nfs/dbraw/zinc/04/43/16/963044316.db2.gz VJOARLQUTGXIQC-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001380330386 963044333 /nfs/dbraw/zinc/04/43/33/963044333.db2.gz VJOARLQUTGXIQC-CABCVRRESA-N 1 3 324.469 0.291 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001379518063 963113567 /nfs/dbraw/zinc/11/35/67/963113567.db2.gz YOKJBZBECGZCHP-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001379518063 963113572 /nfs/dbraw/zinc/11/35/72/963113572.db2.gz YOKJBZBECGZCHP-GXTWGEPZSA-N 1 3 310.442 0.234 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC001379564787 963188642 /nfs/dbraw/zinc/18/86/42/963188642.db2.gz HCLLLNNIXGZQMD-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001379697454 963398990 /nfs/dbraw/zinc/39/89/90/963398990.db2.gz OVERSONVOQLONP-DZGCQCFKSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001379697454 963398995 /nfs/dbraw/zinc/39/89/95/963398995.db2.gz OVERSONVOQLONP-DZGCQCFKSA-N 1 3 322.453 0.662 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001430386198 1013421227 /nfs/dbraw/zinc/42/12/27/1013421227.db2.gz MMTNXZLDOCVDLX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001430386198 1013421231 /nfs/dbraw/zinc/42/12/31/1013421231.db2.gz MMTNXZLDOCVDLX-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C1CN(C(=O)CC[NH+](C)C)C1)N(C)C ZINC001381197521 963885712 /nfs/dbraw/zinc/88/57/12/963885712.db2.gz FHFTZGFKRQCWRG-TZMCWYRMSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001381342752 963985702 /nfs/dbraw/zinc/98/57/02/963985702.db2.gz RIGWPENNCJGFBU-IYXRBSQSSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccnn1C)N(C)C ZINC001375139375 964047199 /nfs/dbraw/zinc/04/71/99/964047199.db2.gz YIMLVWYVTMERGO-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccnn1C)N(C)C ZINC001375139375 964047210 /nfs/dbraw/zinc/04/72/10/964047210.db2.gz YIMLVWYVTMERGO-ZFWWWQNUSA-N 1 3 309.458 0.739 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001375175104 964097679 /nfs/dbraw/zinc/09/76/79/964097679.db2.gz QWCQGWGWQCVBKU-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)CC[NH+](C)C)N(C)Cc1ccc(C(N)=O)cc1 ZINC001368977201 964225595 /nfs/dbraw/zinc/22/55/95/964225595.db2.gz YWUQKSLUOLAGFE-CYBMUJFWSA-N 1 3 320.437 0.674 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001368991046 964253623 /nfs/dbraw/zinc/25/36/23/964253623.db2.gz CUQBQSNIFCVSLQ-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001368991046 964253637 /nfs/dbraw/zinc/25/36/37/964253637.db2.gz CUQBQSNIFCVSLQ-KBPBESRZSA-N 1 3 322.457 0.544 20 0 DCADHO CC[C@H](NC1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(N)=O ZINC001375450885 964414370 /nfs/dbraw/zinc/41/43/70/964414370.db2.gz IBIKXRVJWHHPJH-LBPRGKRZSA-N 1 3 310.442 0.363 20 0 DCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)N(C)C ZINC001375538731 964527349 /nfs/dbraw/zinc/52/73/49/964527349.db2.gz WOMDJEDKVRFIJE-RBSFLKMASA-N 1 3 307.442 0.708 20 0 DCADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001373798288 964646334 /nfs/dbraw/zinc/64/63/34/964646334.db2.gz RFEDGYYHKFCALC-KGLIPLIRSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001373836966 964697580 /nfs/dbraw/zinc/69/75/80/964697580.db2.gz RHWDXENQNRZHHY-OAHLLOKOSA-N 1 3 322.453 0.710 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001375756272 964798553 /nfs/dbraw/zinc/79/85/53/964798553.db2.gz ICLIILCSYMJNDW-OAHLLOKOSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001375759077 964800279 /nfs/dbraw/zinc/80/02/79/964800279.db2.gz YTTMQLDTGXJFSK-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001375763803 964810124 /nfs/dbraw/zinc/81/01/24/964810124.db2.gz AUEAQCRWERTOAT-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC001375764536 964810477 /nfs/dbraw/zinc/81/04/77/964810477.db2.gz ZCQRBUASSQFMDX-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CC(C)(C)C2)C1 ZINC001369358592 964819311 /nfs/dbraw/zinc/81/93/11/964819311.db2.gz CYTUMRBEQKMZHT-UKRRQHHQSA-N 1 3 311.470 0.831 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)CC1 ZINC001375792932 964839832 /nfs/dbraw/zinc/83/98/32/964839832.db2.gz KLHSEAYYLTWZPN-ZDUSSCGKSA-N 1 3 310.442 0.078 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)CC[NH+](C)C)N(C)C ZINC001374061110 964961711 /nfs/dbraw/zinc/96/17/11/964961711.db2.gz YHHBHVGEMOLNFP-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001369457750 965012909 /nfs/dbraw/zinc/01/29/09/965012909.db2.gz NOUMYCUXGSTJJH-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001369457750 965012918 /nfs/dbraw/zinc/01/29/18/965012918.db2.gz NOUMYCUXGSTJJH-KGLIPLIRSA-N 1 3 324.469 0.289 20 0 DCADHO CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001369479058 965049457 /nfs/dbraw/zinc/04/94/57/965049457.db2.gz ZQTADQJDANZCET-IUODEOHRSA-N 1 3 303.422 0.628 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001374179786 965099646 /nfs/dbraw/zinc/09/96/46/965099646.db2.gz LXHLQELDYUUMCS-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001374179786 965099657 /nfs/dbraw/zinc/09/96/57/965099657.db2.gz LXHLQELDYUUMCS-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001374214032 965142939 /nfs/dbraw/zinc/14/29/39/965142939.db2.gz ADMWPZUGZXNDBZ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001374214032 965142944 /nfs/dbraw/zinc/14/29/44/965142944.db2.gz ADMWPZUGZXNDBZ-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@@H](C(=O)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1)N(C)C ZINC001374234864 965165663 /nfs/dbraw/zinc/16/56/63/965165663.db2.gz GRBHUCYYZCKDLX-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1)N(C)C ZINC001374234864 965165665 /nfs/dbraw/zinc/16/56/65/965165665.db2.gz GRBHUCYYZCKDLX-ZFWWWQNUSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cnn(C)c1)C(C)C)N(C)C ZINC001374443194 965395588 /nfs/dbraw/zinc/39/55/88/965395588.db2.gz HZIAISKYPHPGQV-GJZGRUSLSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001376312357 965507568 /nfs/dbraw/zinc/50/75/68/965507568.db2.gz DYKZWYLULXFLFD-QLFBSQMISA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001376312357 965507583 /nfs/dbraw/zinc/50/75/83/965507583.db2.gz DYKZWYLULXFLFD-QLFBSQMISA-N 1 3 324.469 0.289 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)C[C@H](O)COC ZINC001374558564 965527867 /nfs/dbraw/zinc/52/78/67/965527867.db2.gz YEGVBOOTXZELNM-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C[C@H](O)COC ZINC001374558564 965527882 /nfs/dbraw/zinc/52/78/82/965527882.db2.gz YEGVBOOTXZELNM-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)C[C@H](O)COC ZINC001374558564 965527892 /nfs/dbraw/zinc/52/78/92/965527892.db2.gz YEGVBOOTXZELNM-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)C[C@H](O)COC ZINC001374558564 965527903 /nfs/dbraw/zinc/52/79/03/965527903.db2.gz YEGVBOOTXZELNM-LSDHHAIUSA-N 1 3 315.458 0.258 20 0 DCADHO CCCC[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001376396759 965607961 /nfs/dbraw/zinc/60/79/61/965607961.db2.gz NNBJFLPPHQIDCM-GJZGRUSLSA-N 1 3 324.469 0.563 20 0 DCADHO CCCC[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(N)=O ZINC001376396767 965608658 /nfs/dbraw/zinc/60/86/58/965608658.db2.gz NNBJFLPPHQIDCM-LSDHHAIUSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001374600096 965613976 /nfs/dbraw/zinc/61/39/76/965613976.db2.gz LZJXQFUIDACDMO-HOTGVXAUSA-N 1 3 320.437 0.521 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC[C@H](C)O)C[C@@H]2C1)N(C)C ZINC001376404464 965618055 /nfs/dbraw/zinc/61/80/55/965618055.db2.gz ZSTCVEBJFPPRMB-CAOSSQGBSA-N 1 3 311.470 0.878 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@@H]2C1)N(C)C ZINC001376404464 965618062 /nfs/dbraw/zinc/61/80/62/965618062.db2.gz ZSTCVEBJFPPRMB-CAOSSQGBSA-N 1 3 311.470 0.878 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCc2cncs2)CC1 ZINC001374642494 965690280 /nfs/dbraw/zinc/69/02/80/965690280.db2.gz NVJJSMSRGHRIKD-LBPRGKRZSA-N 1 3 312.439 0.052 20 0 DCADHO CC[C@H](CN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1)OC ZINC001376482284 965718961 /nfs/dbraw/zinc/71/89/61/965718961.db2.gz PRGPOKMALAZQTI-GDBMZVCRSA-N 1 3 315.458 0.306 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001374662245 965720727 /nfs/dbraw/zinc/72/07/27/965720727.db2.gz UPPMYRJMNCBKET-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001374662245 965720735 /nfs/dbraw/zinc/72/07/35/965720735.db2.gz UPPMYRJMNCBKET-LSDHHAIUSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001374705456 965786416 /nfs/dbraw/zinc/78/64/16/965786416.db2.gz PRODPKSYBFDWLG-VXGBXAGGSA-N 1 3 300.447 0.323 20 0 DCADHO CCCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001376554267 965821267 /nfs/dbraw/zinc/82/12/67/965821267.db2.gz XWPJPSPLGHKDOW-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001374781545 965913405 /nfs/dbraw/zinc/91/34/05/965913405.db2.gz LSQSYRMKLPKENY-VXGBXAGGSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001374781545 965913412 /nfs/dbraw/zinc/91/34/12/965913412.db2.gz LSQSYRMKLPKENY-VXGBXAGGSA-N 1 3 312.458 0.608 20 0 DCADHO CC(C)N(C)CC(=O)NC1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001376668305 965962273 /nfs/dbraw/zinc/96/22/73/965962273.db2.gz DYLFTJHGVCSSNU-UHFFFAOYSA-N 1 3 322.457 0.672 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001370285785 965962743 /nfs/dbraw/zinc/96/27/43/965962743.db2.gz XILZVTMBSLSBFW-HIFRSBDPSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1nccc1CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001370285785 965962749 /nfs/dbraw/zinc/96/27/49/965962749.db2.gz XILZVTMBSLSBFW-HIFRSBDPSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001374854137 966035559 /nfs/dbraw/zinc/03/55/59/966035559.db2.gz RQRUSWRCSMYJHP-NEPJUHHUSA-N 1 3 306.410 0.330 20 0 DCADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001370405588 966087818 /nfs/dbraw/zinc/08/78/18/966087818.db2.gz QMPQCBULTLJBPQ-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC(=O)NC)CCC2)CC[N@@H+]1C ZINC001376735302 966091636 /nfs/dbraw/zinc/09/16/36/966091636.db2.gz DUHZIZYWGUZIIQ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)NCC2(NCC(=O)NC)CCC2)CC[N@H+]1C ZINC001376735302 966091646 /nfs/dbraw/zinc/09/16/46/966091646.db2.gz DUHZIZYWGUZIIQ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO Cc1nc([C@H](C)N[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)n[nH]1 ZINC001370512882 966198863 /nfs/dbraw/zinc/19/88/63/966198863.db2.gz CHPOAJIRYWDONA-DRZSPHRISA-N 1 3 308.430 0.753 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2=O)C1)N(C)C ZINC001370650269 966331144 /nfs/dbraw/zinc/33/11/44/966331144.db2.gz PCEQDGKVZXAFES-XJFOESAGSA-N 1 3 310.442 0.184 20 0 DCADHO CCn1nnc(C)c1CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001381424063 966402939 /nfs/dbraw/zinc/40/29/39/966402939.db2.gz UOAPGPCHUDJBAH-NWDGAFQWSA-N 1 3 310.446 0.541 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001370738756 966430568 /nfs/dbraw/zinc/43/05/68/966430568.db2.gz ZHHHOUSOMVJHHK-GASCZTMLSA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001370871612 966556558 /nfs/dbraw/zinc/55/65/58/966556558.db2.gz FTSXBGPXWNHPTB-OCCSQVGLSA-N 1 3 321.425 0.400 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC001370871612 966556566 /nfs/dbraw/zinc/55/65/66/966556566.db2.gz FTSXBGPXWNHPTB-OCCSQVGLSA-N 1 3 321.425 0.400 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001370960469 966621441 /nfs/dbraw/zinc/62/14/41/966621441.db2.gz JNQSIGMLLKYPNY-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001370960469 966621447 /nfs/dbraw/zinc/62/14/47/966621447.db2.gz JNQSIGMLLKYPNY-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001381964193 966822496 /nfs/dbraw/zinc/82/24/96/966822496.db2.gz WXWXLWKJUNAYPL-HDJSIYSDSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H](NC[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001382038656 966883933 /nfs/dbraw/zinc/88/39/33/966883933.db2.gz MVFRIQDKBQQQNM-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001382164247 966996994 /nfs/dbraw/zinc/99/69/94/966996994.db2.gz YLXKRAQKCZETTR-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001371516050 967064783 /nfs/dbraw/zinc/06/47/83/967064783.db2.gz XYEKHECHBVPDDA-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001371546208 967106797 /nfs/dbraw/zinc/10/67/97/967106797.db2.gz YVSHLSWXNSPTCV-HNNXBMFYSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001371637710 967191325 /nfs/dbraw/zinc/19/13/25/967191325.db2.gz OJQJYIXVUXASSA-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001371660404 967213356 /nfs/dbraw/zinc/21/33/56/967213356.db2.gz QGOKJJCRTFKFLZ-UONOGXRCSA-N 1 3 322.457 0.672 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C(C)(C)C1 ZINC001382374550 967286143 /nfs/dbraw/zinc/28/61/43/967286143.db2.gz DURFYXSCLCFECZ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1)N(C)C ZINC001372066814 967618444 /nfs/dbraw/zinc/61/84/44/967618444.db2.gz HZBDGTFSMJTPRE-KBPBESRZSA-N 1 3 312.458 0.338 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001372524578 968084574 /nfs/dbraw/zinc/08/45/74/968084574.db2.gz AGCJKVITDPGQRD-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1)N(C)C ZINC001372628706 968194234 /nfs/dbraw/zinc/19/42/34/968194234.db2.gz XLMNUBGKRXWZMO-HZSPNIEDSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001372672043 968235277 /nfs/dbraw/zinc/23/52/77/968235277.db2.gz PCYWBZQZLZYGBT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001372672043 968235285 /nfs/dbraw/zinc/23/52/85/968235285.db2.gz PCYWBZQZLZYGBT-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO Cn1cncc1C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001373155886 968767305 /nfs/dbraw/zinc/76/73/05/968767305.db2.gz KWYNHOGTRSBEQE-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cncc1C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001373155886 968767313 /nfs/dbraw/zinc/76/73/13/968767313.db2.gz KWYNHOGTRSBEQE-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001373294402 968909108 /nfs/dbraw/zinc/90/91/08/968909108.db2.gz PYAYSSWIFFDLLH-KGLIPLIRSA-N 1 3 324.469 0.515 20 0 DCADHO CC[C@H](C(=O)NCC1C[NH+](C[C@@H]2CCNC(=O)CC2)C1)N(C)C ZINC001373550845 969220382 /nfs/dbraw/zinc/22/03/82/969220382.db2.gz RWFKJPZQEJRNJK-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1ncnn1C ZINC001448561597 1013951023 /nfs/dbraw/zinc/95/10/23/1013951023.db2.gz NPUXOSMUUWCEMO-ZIAGYGMSSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1ncnn1C ZINC001448561597 1013951026 /nfs/dbraw/zinc/95/10/26/1013951026.db2.gz NPUXOSMUUWCEMO-ZIAGYGMSSA-N 1 3 322.457 0.387 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001448768470 1014031754 /nfs/dbraw/zinc/03/17/54/1014031754.db2.gz AUFKECXUMXTYJY-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001448768443 1014031149 /nfs/dbraw/zinc/03/11/49/1014031149.db2.gz AUFKECXUMXTYJY-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001496029273 1017122331 /nfs/dbraw/zinc/12/23/31/1017122331.db2.gz WRIYCKAGSVEGNB-WFASDCNBSA-N 1 3 307.442 0.759 20 0 DCADHO CCC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001448897329 1014088351 /nfs/dbraw/zinc/08/83/51/1014088351.db2.gz CHNWUENYWZTFSW-DOMZBBRYSA-N 1 3 303.422 0.676 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)N(C)C ZINC001449094160 1014184218 /nfs/dbraw/zinc/18/42/18/1014184218.db2.gz MMICMTWMQSQZCW-QWHCGFSZSA-N 1 3 312.458 0.241 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549507374 1014277820 /nfs/dbraw/zinc/27/78/20/1014277820.db2.gz LKWQSBXSZHJTMV-UKRRQHHQSA-N 1 3 320.441 0.680 20 0 DCADHO CC(C)N(C)CC(=O)NCCNC(=O)CC[NH+]1CCCCC1 ZINC001522689751 1014299613 /nfs/dbraw/zinc/29/96/13/1014299613.db2.gz FTWVODHIAAGDAG-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001449324620 1014411825 /nfs/dbraw/zinc/41/18/25/1014411825.db2.gz MRDXWFDEFFHVOM-HIFRSBDPSA-N 1 3 321.469 0.992 20 0 DCADHO Cn1nccc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001449324620 1014411831 /nfs/dbraw/zinc/41/18/31/1014411831.db2.gz MRDXWFDEFFHVOM-HIFRSBDPSA-N 1 3 321.469 0.992 20 0 DCADHO N[C@@H](CC(F)F)C(=O)NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 ZINC001549724923 1014425549 /nfs/dbraw/zinc/42/55/49/1014425549.db2.gz IRCBCSXOJVZWTN-KOLCDFICSA-N 1 3 313.352 0.218 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549730995 1014430407 /nfs/dbraw/zinc/43/04/07/1014430407.db2.gz LJZIGHJSVIPOKH-XJKSGUPXSA-N 1 3 310.442 0.090 20 0 DCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC001449398462 1014459822 /nfs/dbraw/zinc/45/98/22/1014459822.db2.gz CJQFAKQOFNGIDI-UHFFFAOYSA-N 1 3 307.442 0.839 20 0 DCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001550202509 1014626535 /nfs/dbraw/zinc/62/65/35/1014626535.db2.gz OODYOZOEZHREHB-QWHCGFSZSA-N 1 3 310.442 0.302 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001529857699 1014628227 /nfs/dbraw/zinc/62/82/27/1014628227.db2.gz XWLVCQNLHAKPOO-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO N[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[C@@H]1F ZINC001550270083 1014643324 /nfs/dbraw/zinc/64/33/24/1014643324.db2.gz BOJFRUIJKCNNMT-GJZGRUSLSA-N 1 3 306.385 0.913 20 0 DCADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cnnn1C)[C@@H](O)C2 ZINC001550521493 1014743077 /nfs/dbraw/zinc/74/30/77/1014743077.db2.gz LASPEEVHNBOZPH-FSNAAORZSA-N 1 3 307.442 0.945 20 0 DCADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](N[C@@H](C)c1cnnn1C)[C@@H](O)C2 ZINC001550521493 1014743083 /nfs/dbraw/zinc/74/30/83/1014743083.db2.gz LASPEEVHNBOZPH-FSNAAORZSA-N 1 3 307.442 0.945 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001449927371 1014793368 /nfs/dbraw/zinc/79/33/68/1014793368.db2.gz TYWCKGOJPWBQEW-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)N(C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449927371 1014793381 /nfs/dbraw/zinc/79/33/81/1014793381.db2.gz TYWCKGOJPWBQEW-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO Cc1c([C@@H]2CN(C[C@H]3CCCC[NH2+]C3)C[C@@H]2C(N)=O)cnn1C ZINC001550700611 1014808938 /nfs/dbraw/zinc/80/89/38/1014808938.db2.gz CKRGFVBNZBPIOO-BPUTZDHNSA-N 1 3 319.453 0.619 20 0 DCADHO [NH3+]C[C@@H]1[C@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)C[C@H]21 ZINC001550731766 1014822580 /nfs/dbraw/zinc/82/25/80/1014822580.db2.gz OXVTUQVLXOTPSV-JONQDZQNSA-N 1 3 300.406 0.720 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001550745167 1014833229 /nfs/dbraw/zinc/83/32/29/1014833229.db2.gz LDKWDBQSQUBVPK-SOUVJXGZSA-N 1 3 322.453 0.512 20 0 DCADHO C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)[C@H](C)CN1 ZINC001550756122 1014843559 /nfs/dbraw/zinc/84/35/59/1014843559.db2.gz ODCGGVOJGASLIJ-MGPQQGTHSA-N 1 3 310.442 0.537 20 0 DCADHO Cc1cc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC[NH2+]CC2)nc(C)n1 ZINC001550913824 1014911122 /nfs/dbraw/zinc/91/11/22/1014911122.db2.gz PJSXEUHCHJYGPW-NVXWUHKLSA-N 1 3 317.437 0.830 20 0 DCADHO CC(C)[C@H](C)NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550914427 1014913796 /nfs/dbraw/zinc/91/37/96/1014913796.db2.gz WGRLOUOOIJULHG-DXCKQFNASA-N 1 3 324.469 0.384 20 0 DCADHO CC1([NH+]2CCC2)CCC(NC(=O)NC[C@H]2CNCCO2)CC1 ZINC001551472749 1015106404 /nfs/dbraw/zinc/10/64/04/1015106404.db2.gz MRFGTPHBKRZVLM-NPCAHTBFSA-N 1 3 310.442 0.681 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001384117868 985373610 /nfs/dbraw/zinc/37/36/10/985373610.db2.gz VKXPZMNSDRAXJU-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001551508676 1015122320 /nfs/dbraw/zinc/12/23/20/1015122320.db2.gz RSVCVNJGJDXJBG-DARAHFNDSA-N 1 3 316.405 0.072 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)CC[NH+](C)C)N(C)C ZINC001384397462 985548312 /nfs/dbraw/zinc/54/83/12/985548312.db2.gz DPPCLRHSIGHBSX-KBPBESRZSA-N 1 3 312.458 0.338 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1)N(C)C ZINC001386208261 986955337 /nfs/dbraw/zinc/95/53/37/986955337.db2.gz DFKZKMXYTSBIGQ-KBUPBQIOSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1)N(C)C ZINC001386208261 986955346 /nfs/dbraw/zinc/95/53/46/986955346.db2.gz DFKZKMXYTSBIGQ-KBUPBQIOSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001386790421 987400614 /nfs/dbraw/zinc/40/06/14/987400614.db2.gz GBIWATBPNNJNKZ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)C(C)(C)N1CCCC1 ZINC001386790421 987400616 /nfs/dbraw/zinc/40/06/16/987400616.db2.gz GBIWATBPNNJNKZ-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNC(=O)CN(C)C(C)C)[NH+](C)C ZINC001386943754 987519469 /nfs/dbraw/zinc/51/94/69/987519469.db2.gz LWXIZSLWGNEEIC-HNNXBMFYSA-N 1 3 314.474 0.487 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001386964896 987533204 /nfs/dbraw/zinc/53/32/04/987533204.db2.gz XMGYCZOMGQTMJQ-ZDUSSCGKSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001387146167 987660141 /nfs/dbraw/zinc/66/01/41/987660141.db2.gz QRDULRMMRBKJCH-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001387465384 987849447 /nfs/dbraw/zinc/84/94/47/987849447.db2.gz CEHRGYDAMUKAFA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001387465384 987849450 /nfs/dbraw/zinc/84/94/50/987849450.db2.gz CEHRGYDAMUKAFA-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001387721856 988084234 /nfs/dbraw/zinc/08/42/34/988084234.db2.gz HNSKMXGUCNAFIT-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001387721856 988084247 /nfs/dbraw/zinc/08/42/47/988084247.db2.gz HNSKMXGUCNAFIT-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001387756616 988121369 /nfs/dbraw/zinc/12/13/69/988121369.db2.gz KZHVKUDWCZQODK-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001387756616 988121372 /nfs/dbraw/zinc/12/13/72/988121372.db2.gz KZHVKUDWCZQODK-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001387987682 988358574 /nfs/dbraw/zinc/35/85/74/988358574.db2.gz DKJPFSMONGOBIE-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@@H]1CN(C(=O)NCCN2CCC([NH3+])CC2)CCN(C2CC2)C1 ZINC001552340202 1015393659 /nfs/dbraw/zinc/39/36/59/1015393659.db2.gz PCTOWNFVFQYVJF-AWEZNQCLSA-N 1 3 323.485 0.535 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001388702491 988523619 /nfs/dbraw/zinc/52/36/19/988523619.db2.gz IFLPHFSZIOKDIB-XDQVBPFNSA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C1)N(C)C ZINC001388722874 988538658 /nfs/dbraw/zinc/53/86/58/988538658.db2.gz ABXYWHHOWZAQOO-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CCO[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@H]1C[NH3+] ZINC001552430561 1015429165 /nfs/dbraw/zinc/42/91/65/1015429165.db2.gz KCTVJSCHTAVKBS-NEPJUHHUSA-N 1 3 309.435 0.830 20 0 DCADHO N[C@@H]1CN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC[C@@H]1F ZINC001552440140 1015439134 /nfs/dbraw/zinc/43/91/34/1015439134.db2.gz NZKWVHKETNOHJK-GRYCIOLGSA-N 1 3 310.377 0.104 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001389230561 989006152 /nfs/dbraw/zinc/00/61/52/989006152.db2.gz CWQOYGQMFVKESF-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001389230561 989006159 /nfs/dbraw/zinc/00/61/59/989006159.db2.gz CWQOYGQMFVKESF-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1)N(C)C ZINC001389802551 989592391 /nfs/dbraw/zinc/59/23/91/989592391.db2.gz LMSOXGYXTYEAPN-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO O=C(CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)NC1CC1 ZINC001389827787 989618077 /nfs/dbraw/zinc/61/80/77/989618077.db2.gz RZWDGFASSROWBP-HNNXBMFYSA-N 1 3 322.453 0.332 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001389884360 989662496 /nfs/dbraw/zinc/66/24/96/989662496.db2.gz KKBVGCTYPRCHBV-KKUMJFAQSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1)[NH+](CC)CC ZINC001389887746 989664746 /nfs/dbraw/zinc/66/47/46/989664746.db2.gz RILNSONOTVCJEJ-YDHLFZDLSA-N 1 3 322.457 0.672 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001390113973 989833330 /nfs/dbraw/zinc/83/33/30/989833330.db2.gz PMEIYDMSLKTLQG-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001390255899 989941861 /nfs/dbraw/zinc/94/18/61/989941861.db2.gz SDCFZOSQHBGJOU-WMLDXEAASA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nn(C)cc1CN[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001390431768 990099744 /nfs/dbraw/zinc/09/97/44/990099744.db2.gz CWAZOQFIEOIPAF-ZDUSSCGKSA-N 1 3 319.453 0.951 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390503839 990156629 /nfs/dbraw/zinc/15/66/29/990156629.db2.gz FRALIDKMLDTRDE-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001390511495 990162586 /nfs/dbraw/zinc/16/25/86/990162586.db2.gz PWLIGDVHHPHEOY-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(C)(C)C ZINC001390511495 990162591 /nfs/dbraw/zinc/16/25/91/990162591.db2.gz PWLIGDVHHPHEOY-QWHCGFSZSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCNC1=O ZINC001390667755 990289998 /nfs/dbraw/zinc/28/99/98/990289998.db2.gz WYCDKGUWXICIJX-OLZOCXBDSA-N 1 3 310.442 0.234 20 0 DCADHO COC[C@@H](C)N(C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001390840909 990429572 /nfs/dbraw/zinc/42/95/72/990429572.db2.gz HXRHOLYDVALMCN-CYBMUJFWSA-N 1 3 301.431 0.180 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001552956558 1015575363 /nfs/dbraw/zinc/57/53/63/1015575363.db2.gz REHMNFXINROUOE-BZUAXINKSA-N 1 3 322.453 0.776 20 0 DCADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001552955780 1015575965 /nfs/dbraw/zinc/57/59/65/1015575965.db2.gz JTVPVHWEXQWPIE-OCCSQVGLSA-N 1 3 321.429 0.178 20 0 DCADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001552955780 1015575974 /nfs/dbraw/zinc/57/59/74/1015575974.db2.gz JTVPVHWEXQWPIE-OCCSQVGLSA-N 1 3 321.429 0.178 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001391285056 990719334 /nfs/dbraw/zinc/71/93/34/990719334.db2.gz XONYIWVTXJWWFH-AWEZNQCLSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC(N)=O)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001391360384 990778449 /nfs/dbraw/zinc/77/84/49/990778449.db2.gz GILZKGYVDILXGK-UHFFFAOYSA-N 1 3 322.453 0.271 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001391737098 991147111 /nfs/dbraw/zinc/14/71/11/991147111.db2.gz NBAVCEPHCDHLHO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001391737098 991147113 /nfs/dbraw/zinc/14/71/13/991147113.db2.gz NBAVCEPHCDHLHO-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[NH+](C)CCCC(=O)NCCC1CCN([C@@H]2CCNC2=O)CC1 ZINC001391848396 991218424 /nfs/dbraw/zinc/21/84/24/991218424.db2.gz PMDZBNMGTZDTMQ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1cnn(C)c1)[NH+](C)C ZINC001392078170 991469844 /nfs/dbraw/zinc/46/98/44/991469844.db2.gz UNLSZPOQKXZHLZ-ZFWWWQNUSA-N 1 3 309.458 0.943 20 0 DCADHO C[C@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392134857 991534113 /nfs/dbraw/zinc/53/41/13/991534113.db2.gz PRFHPTHHGBAZJV-DGCLKSJQSA-N 1 3 320.441 0.570 20 0 DCADHO C[C@H](CNCc1n[nH]c(C2CC2)n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392134857 991534124 /nfs/dbraw/zinc/53/41/24/991534124.db2.gz PRFHPTHHGBAZJV-DGCLKSJQSA-N 1 3 320.441 0.570 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001392137470 991536115 /nfs/dbraw/zinc/53/61/15/991536115.db2.gz YOCYMDNURVNTHB-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392137470 991536124 /nfs/dbraw/zinc/53/61/24/991536124.db2.gz YOCYMDNURVNTHB-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001392151870 991553854 /nfs/dbraw/zinc/55/38/54/991553854.db2.gz LPQNOPUEELUHSJ-QWHCGFSZSA-N 1 3 312.458 0.465 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CCCCC1 ZINC001392177178 991577303 /nfs/dbraw/zinc/57/73/03/991577303.db2.gz ORVASCMTGBBGDC-HUUCEWRRSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001392462687 991960593 /nfs/dbraw/zinc/96/05/93/991960593.db2.gz ZSTIPBUSNJSRHZ-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](C[NH2+]CC(=O)NCC1CCC1)NC(=O)CN1CC[C@H](C)C1 ZINC001392512951 992027025 /nfs/dbraw/zinc/02/70/25/992027025.db2.gz QUKARRZHWFFTFK-UONOGXRCSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001392564403 992101145 /nfs/dbraw/zinc/10/11/45/992101145.db2.gz WBTSTAVNMOLRNW-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001392564403 992101152 /nfs/dbraw/zinc/10/11/52/992101152.db2.gz WBTSTAVNMOLRNW-AEGPPILISA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C(=O)N1CCCCC1 ZINC001392592569 992134381 /nfs/dbraw/zinc/13/43/81/992134381.db2.gz LFUWMOJEYYHWMW-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN1CC[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C2CC2)C1=O ZINC001392788943 992398902 /nfs/dbraw/zinc/39/89/02/992398902.db2.gz NZHMLOJDVRXBDM-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CC1)C(N)=O ZINC001392793972 992402997 /nfs/dbraw/zinc/40/29/97/992402997.db2.gz PRFCCVSZFMPUKD-DGCLKSJQSA-N 1 3 312.458 0.323 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001392803907 992411535 /nfs/dbraw/zinc/41/15/35/992411535.db2.gz CZNQUJZKWUZDSB-HUUCEWRRSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CNC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001392803907 992411540 /nfs/dbraw/zinc/41/15/40/992411540.db2.gz CZNQUJZKWUZDSB-HUUCEWRRSA-N 1 3 305.426 0.356 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001392897383 992514282 /nfs/dbraw/zinc/51/42/82/992514282.db2.gz WGVPTJOJQYRWFH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NC(=O)CN(C)C1CCC1 ZINC001392897383 992514291 /nfs/dbraw/zinc/51/42/91/992514291.db2.gz WGVPTJOJQYRWFH-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCn2cccn2)CC1 ZINC001392908955 992531148 /nfs/dbraw/zinc/53/11/48/992531148.db2.gz QJGCFNHRIHQRAC-OAHLLOKOSA-N 1 3 319.453 0.996 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001393055717 992655145 /nfs/dbraw/zinc/65/51/45/992655145.db2.gz QEFIRLXMJGRGCB-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001393379308 992929577 /nfs/dbraw/zinc/92/95/77/992929577.db2.gz CTAPUMWUKXFQFB-ZIAGYGMSSA-N 1 3 322.457 0.484 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001393402988 992950612 /nfs/dbraw/zinc/95/06/12/992950612.db2.gz ZHGKHBJKPQUMNH-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001393563688 993086654 /nfs/dbraw/zinc/08/66/54/993086654.db2.gz XPNDRIRUBVGCKT-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO CNC(=O)CNC1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001393563688 993086658 /nfs/dbraw/zinc/08/66/58/993086658.db2.gz XPNDRIRUBVGCKT-KBPBESRZSA-N 1 3 322.453 0.378 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001393805571 993267790 /nfs/dbraw/zinc/26/77/90/993267790.db2.gz YAGPJZJORYEXDL-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO COC[C@@H](C)N1CCC(CO)(NC(=O)CCC[NH+](C)C)CC1 ZINC001393843642 993292073 /nfs/dbraw/zinc/29/20/73/993292073.db2.gz CEYLZDIABWSDFU-CQSZACIVSA-N 1 3 315.458 0.306 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCn1cncn1 ZINC001394071870 993455983 /nfs/dbraw/zinc/45/59/83/993455983.db2.gz WKWYIFSHFUIOCP-UKRRQHHQSA-N 1 3 320.441 0.056 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001394139072 993509690 /nfs/dbraw/zinc/50/96/90/993509690.db2.gz VVQPYJGWHXSVMG-DOMZBBRYSA-N 1 3 322.457 0.283 20 0 DCADHO Cc1nc(C)n(CCN(C)[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001394139072 993509695 /nfs/dbraw/zinc/50/96/95/993509695.db2.gz VVQPYJGWHXSVMG-DOMZBBRYSA-N 1 3 322.457 0.283 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC001394394204 993675760 /nfs/dbraw/zinc/67/57/60/993675760.db2.gz FGNVUQNOYDBNSA-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC001394394204 993675765 /nfs/dbraw/zinc/67/57/65/993675765.db2.gz FGNVUQNOYDBNSA-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001394446250 993712908 /nfs/dbraw/zinc/71/29/08/993712908.db2.gz DBKIZDMUKBXLDX-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394446250 993712914 /nfs/dbraw/zinc/71/29/14/993712914.db2.gz DBKIZDMUKBXLDX-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001394536659 993808420 /nfs/dbraw/zinc/80/84/20/993808420.db2.gz DBSPOSWJNGZXGQ-GDBMZVCRSA-N 1 3 323.485 0.985 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001394545736 993818253 /nfs/dbraw/zinc/81/82/53/993818253.db2.gz XBEWDGDVEWPQSD-DZGCQCFKSA-N 1 3 314.474 0.487 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccnn2C)C1)N(C)C ZINC001399959509 993990158 /nfs/dbraw/zinc/99/01/58/993990158.db2.gz XZJZEAPSZVGRDU-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccnn2C)C1)N(C)C ZINC001399959509 993990170 /nfs/dbraw/zinc/99/01/70/993990170.db2.gz XZJZEAPSZVGRDU-HOCLYGCPSA-N 1 3 321.469 0.741 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)N(C)CC)C[C@@H]1C ZINC001394667137 993994136 /nfs/dbraw/zinc/99/41/36/993994136.db2.gz HSQFPVITVKMFCD-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H]1[C@@H](NCC(=O)N(C)CC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001394672027 994000308 /nfs/dbraw/zinc/00/03/08/994000308.db2.gz NQZNBHUZAZFYHM-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001394671925 994001879 /nfs/dbraw/zinc/00/18/79/994001879.db2.gz DUPCSZPEMHAIPW-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](N[C@H](C)C(=O)NC)C(C)(C)C1 ZINC001394711608 994045526 /nfs/dbraw/zinc/04/55/26/994045526.db2.gz GJRIRGAAKZLLIG-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](N[C@H](C)C(=O)NC)C(C)(C)C1 ZINC001394711608 994045531 /nfs/dbraw/zinc/04/55/31/994045531.db2.gz GJRIRGAAKZLLIG-OLZOCXBDSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@@H]2CCNC2=O)C(C)(C)C)CCC1 ZINC001394821845 994186947 /nfs/dbraw/zinc/18/69/47/994186947.db2.gz MMLZPUWEECDFQP-OLZOCXBDSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@H]1CCN(CC(=O)NC2CC(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001394917118 994266466 /nfs/dbraw/zinc/26/64/66/994266466.db2.gz PSYCRGAOAKFQKQ-NFOMZHRRSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C)N(C)C ZINC001395174277 994486567 /nfs/dbraw/zinc/48/65/67/994486567.db2.gz XYECOPRFWCFVSE-STQMWFEESA-N 1 3 300.447 0.241 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001400487212 994574520 /nfs/dbraw/zinc/57/45/20/994574520.db2.gz TXWFQZGRJRIAOO-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001507027584 1015902987 /nfs/dbraw/zinc/90/29/87/1015902987.db2.gz KQFFJTAGZWFOGD-DZGCQCFKSA-N 1 3 324.469 0.291 20 0 DCADHO COC[C@@H](O)C[NH2+]CC1(NC(=O)Cc2nc[nH]c2C)CCCC1 ZINC001400981614 995101842 /nfs/dbraw/zinc/10/18/42/995101842.db2.gz AUAFKOOSNYKHKK-ZDUSSCGKSA-N 1 3 324.425 0.287 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001396831714 995634813 /nfs/dbraw/zinc/63/48/13/995634813.db2.gz ZHUAJCJFNWUDMY-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001396832976 995636560 /nfs/dbraw/zinc/63/65/60/995636560.db2.gz MFAJSWWTZAPQJC-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001396832976 995636565 /nfs/dbraw/zinc/63/65/65/995636565.db2.gz MFAJSWWTZAPQJC-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001396917316 995681557 /nfs/dbraw/zinc/68/15/57/995681557.db2.gz DNCIOYCKMYWVRE-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001396917316 995681560 /nfs/dbraw/zinc/68/15/60/995681560.db2.gz DNCIOYCKMYWVRE-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001396935937 995692773 /nfs/dbraw/zinc/69/27/73/995692773.db2.gz KBWWOJOAZPXLEQ-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001396935937 995692776 /nfs/dbraw/zinc/69/27/76/995692776.db2.gz KBWWOJOAZPXLEQ-ZDUSSCGKSA-N 1 3 321.425 0.401 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001396935142 995693045 /nfs/dbraw/zinc/69/30/45/995693045.db2.gz FLJMNQNPKNGNDJ-ZIAGYGMSSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H](O)C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCOCC1 ZINC001502627076 1016005310 /nfs/dbraw/zinc/00/53/10/1016005310.db2.gz GBRZZFHVSXZCOE-CYBMUJFWSA-N 1 3 313.442 0.107 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001397678545 996128405 /nfs/dbraw/zinc/12/84/05/996128405.db2.gz OEHAGPRRETVOPT-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001397726995 996145878 /nfs/dbraw/zinc/14/58/78/996145878.db2.gz GEIMVUMCGHCVOK-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](CCO)CCOC)C1)N(C)C ZINC001397759169 996151740 /nfs/dbraw/zinc/15/17/40/996151740.db2.gz XXWCNILANYEOEK-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](CCO)CCOC)C1)N(C)C ZINC001397759169 996151744 /nfs/dbraw/zinc/15/17/44/996151744.db2.gz XXWCNILANYEOEK-HUUCEWRRSA-N 1 3 315.458 0.258 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN([C@H]2CCNC2=O)CC(C)(C)C1 ZINC001397806783 996185154 /nfs/dbraw/zinc/18/51/54/996185154.db2.gz IMMWHWVDLDNULF-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]([NH2+][C@@H](CNC(=O)C(C)(C)N1CCCC1)C1CC1)C(N)=O ZINC001398433401 996513721 /nfs/dbraw/zinc/51/37/21/996513721.db2.gz BJQPHICYCWCASM-KGLIPLIRSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001398551961 996569130 /nfs/dbraw/zinc/56/91/30/996569130.db2.gz FTILBJKFVXVUMZ-JOCQHMNTSA-N 1 3 320.441 0.761 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC001398561841 996573911 /nfs/dbraw/zinc/57/39/11/996573911.db2.gz LMGAFPNPXJTRAJ-RBSFLKMASA-N 1 3 320.437 0.462 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001398957981 996774482 /nfs/dbraw/zinc/77/44/82/996774482.db2.gz OEZYZIUAEBXYBI-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001398957981 996774487 /nfs/dbraw/zinc/77/44/87/996774487.db2.gz OEZYZIUAEBXYBI-UKRRQHHQSA-N 1 3 324.469 0.480 20 0 DCADHO C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N[C@@H]1CCNC1=O ZINC001399030047 996859281 /nfs/dbraw/zinc/85/92/81/996859281.db2.gz QASFOHPXDZUJIO-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N[C@@H]1CCNC1=O ZINC001399030047 996859290 /nfs/dbraw/zinc/85/92/90/996859290.db2.gz QASFOHPXDZUJIO-DZGCQCFKSA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001399110935 996976350 /nfs/dbraw/zinc/97/63/50/996976350.db2.gz LLCFFBKTNDRYSW-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001399110935 996976359 /nfs/dbraw/zinc/97/63/59/996976359.db2.gz LLCFFBKTNDRYSW-HIFRSBDPSA-N 1 3 324.469 0.291 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001399114280 996985803 /nfs/dbraw/zinc/98/58/03/996985803.db2.gz MNQHJGDXKCZPOQ-QWHCGFSZSA-N 1 3 310.442 0.091 20 0 DCADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001399213773 997086008 /nfs/dbraw/zinc/08/60/08/997086008.db2.gz DPYKEAMNOZDYGZ-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001399247685 997120032 /nfs/dbraw/zinc/12/00/32/997120032.db2.gz UECBICOJYHPDPA-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001399247630 997121085 /nfs/dbraw/zinc/12/10/85/997121085.db2.gz SQNNYMNJZBLHGP-CYBMUJFWSA-N 1 3 312.458 0.148 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cnn(C)c1 ZINC001399407073 997322212 /nfs/dbraw/zinc/32/22/12/997322212.db2.gz ZEAJFWGKALHUEO-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)N1CCCC1 ZINC001405340688 998128811 /nfs/dbraw/zinc/12/88/11/998128811.db2.gz PXDLWEZEXAPIEY-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(CC)C1=O ZINC001405368200 998158069 /nfs/dbraw/zinc/15/80/69/998158069.db2.gz JKDAQMFRFDCRLX-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)N1CCC1 ZINC001405385708 998178724 /nfs/dbraw/zinc/17/87/24/998178724.db2.gz PIISFHLAHWPGMH-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)CN1CCCC1 ZINC001405491804 998275280 /nfs/dbraw/zinc/27/52/80/998275280.db2.gz RTYSXGVMYJJIHL-ZIAGYGMSSA-N 1 3 310.442 0.140 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NCCC2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001405581458 998352858 /nfs/dbraw/zinc/35/28/58/998352858.db2.gz PFLCUQIZZDELKZ-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NCCC2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001405581458 998352871 /nfs/dbraw/zinc/35/28/71/998352871.db2.gz PFLCUQIZZDELKZ-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001405649395 998432762 /nfs/dbraw/zinc/43/27/62/998432762.db2.gz RHWPGFFBOKPDGC-XNRPHZJLSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1cnc(CNC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001405649395 998432769 /nfs/dbraw/zinc/43/27/69/998432769.db2.gz RHWPGFFBOKPDGC-XNRPHZJLSA-N 1 3 319.453 0.967 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C ZINC001405677258 998462296 /nfs/dbraw/zinc/46/22/96/998462296.db2.gz NOLVXWHTOLNTPS-HIFRSBDPSA-N 1 3 322.457 0.530 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CN1C(=O)CC[NH+](C)C ZINC001511284962 1016247736 /nfs/dbraw/zinc/24/77/36/1016247736.db2.gz CXLLFCVCFMBDGW-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001505537563 1016291988 /nfs/dbraw/zinc/29/19/88/1016291988.db2.gz DGYSKGODPBJFJV-DNOWBOINSA-N 1 3 324.469 0.478 20 0 DCADHO C[C@@H](CNCc1cc2n(n1)CCC2)CNC(=O)CC[NH+](C)C ZINC001401125049 1000210776 /nfs/dbraw/zinc/21/07/76/1000210776.db2.gz IOUIEOLDHWJWEG-ZDUSSCGKSA-N 1 3 307.442 0.623 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)nn1C ZINC001401141359 1000223321 /nfs/dbraw/zinc/22/33/21/1000223321.db2.gz WZWVKCIVPDMQCO-CYBMUJFWSA-N 1 3 319.453 0.666 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401233003 1000294468 /nfs/dbraw/zinc/29/44/68/1000294468.db2.gz IGYQSSGXPBLNJN-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401248969 1000308137 /nfs/dbraw/zinc/30/81/37/1000308137.db2.gz XSXITHMUSZKYLH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CNC[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401248969 1000308142 /nfs/dbraw/zinc/30/81/42/1000308142.db2.gz XSXITHMUSZKYLH-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)CCC[NH+]2CCCC2)n[nH]1 ZINC001401267650 1000322061 /nfs/dbraw/zinc/32/20/61/1000322061.db2.gz VSHWXOGNVWFQCV-CYBMUJFWSA-N 1 3 322.457 0.926 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001401267562 1000322252 /nfs/dbraw/zinc/32/22/52/1000322252.db2.gz TWDVICXDVDYQRK-UONOGXRCSA-N 1 3 322.457 0.542 20 0 DCADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001418584626 1000366345 /nfs/dbraw/zinc/36/63/45/1000366345.db2.gz CIRXVVNCNWOWEF-OAHLLOKOSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001418650471 1000421895 /nfs/dbraw/zinc/42/18/95/1000421895.db2.gz KHGFTGPFQODGOL-LJISPDSOSA-N 1 3 324.469 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1nncn1C ZINC001401507967 1000461629 /nfs/dbraw/zinc/46/16/29/1000461629.db2.gz YWQZGTCGNBAFRK-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1CNCc1nncn1C ZINC001401507967 1000461633 /nfs/dbraw/zinc/46/16/33/1000461633.db2.gz YWQZGTCGNBAFRK-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001418726340 1000477272 /nfs/dbraw/zinc/47/72/72/1000477272.db2.gz UNBZJDKTMSERGS-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)c1cccc(CN(C)C)c1 ZINC001401600015 1000534859 /nfs/dbraw/zinc/53/48/59/1000534859.db2.gz JQUGMOAHRSQFCH-OLZOCXBDSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001418813018 1000541404 /nfs/dbraw/zinc/54/14/04/1000541404.db2.gz KPWGENLAUUWYOP-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](CNCC(=O)N(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001401621945 1000560174 /nfs/dbraw/zinc/56/01/74/1000560174.db2.gz ZWSQVRHYDFYTMB-CYBMUJFWSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001418836763 1000562089 /nfs/dbraw/zinc/56/20/89/1000562089.db2.gz BHWFVWKHIIDSRQ-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO COc1ncc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001401719042 1000656771 /nfs/dbraw/zinc/65/67/71/1000656771.db2.gz CZRUSAXRDFUMRI-WCQYABFASA-N 1 3 321.425 0.340 20 0 DCADHO COc1ncc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001401719042 1000656775 /nfs/dbraw/zinc/65/67/75/1000656775.db2.gz CZRUSAXRDFUMRI-WCQYABFASA-N 1 3 321.425 0.340 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001401720631 1000657013 /nfs/dbraw/zinc/65/70/13/1000657013.db2.gz NDRJDTHJCGZXDV-AWEZNQCLSA-N 1 3 307.442 0.890 20 0 DCADHO C[NH+](C)CCC(=O)NCC1CN(C[C@H](O)Cc2ccccc2)C1 ZINC001419033527 1000706495 /nfs/dbraw/zinc/70/64/95/1000706495.db2.gz PGUKCEZYEJCHGI-QGZVFWFLSA-N 1 3 319.449 0.590 20 0 DCADHO C[C@H](O)C[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001401983924 1000926460 /nfs/dbraw/zinc/92/64/60/1000926460.db2.gz DEWZBPSQDVIANE-ZDUSSCGKSA-N 1 3 305.422 0.981 20 0 DCADHO CN(CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1)CC(C)(C)C ZINC001419315113 1000970850 /nfs/dbraw/zinc/97/08/50/1000970850.db2.gz OKOQEQBMLAKABX-UHFFFAOYSA-N 1 3 312.458 0.468 20 0 DCADHO NC(=O)CNCC1(NC(=O)CCC[NH+]2CCCCC2)CCCC1 ZINC001419323995 1000975232 /nfs/dbraw/zinc/97/52/32/1000975232.db2.gz WGHUONWTROXQQE-UHFFFAOYSA-N 1 3 324.469 0.756 20 0 DCADHO C[C@@H](N[C@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1)C(N)=O ZINC001419332486 1000981942 /nfs/dbraw/zinc/98/19/42/1000981942.db2.gz YTHPIDTWUNFJAW-TZMCWYRMSA-N 1 3 310.442 0.221 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001419369777 1001004883 /nfs/dbraw/zinc/00/48/83/1001004883.db2.gz APIFCLLLKNEAOF-STQMWFEESA-N 1 3 321.425 0.305 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001419370004 1001004954 /nfs/dbraw/zinc/00/49/54/1001004954.db2.gz VZVUAXRGWMFMGG-UBHSHLNASA-N 1 3 310.442 0.184 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1)N(C)C ZINC001419375567 1001008408 /nfs/dbraw/zinc/00/84/08/1001008408.db2.gz HMTYIVDIVAMUSH-UMVBOHGHSA-N 1 3 322.457 0.672 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001419416969 1001034351 /nfs/dbraw/zinc/03/43/51/1001034351.db2.gz HATNHIRHCZTXTJ-XJKCOSOUSA-N 1 3 324.469 0.430 20 0 DCADHO Cc1nnc([C@H](C)NC[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)[nH]1 ZINC001419515604 1001109353 /nfs/dbraw/zinc/10/93/53/1001109353.db2.gz IVWRKRRMHBVKNK-NEPJUHHUSA-N 1 3 322.457 0.858 20 0 DCADHO C[C@@H](F)CC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001402281883 1001175919 /nfs/dbraw/zinc/17/59/19/1001175919.db2.gz XJMRTQJWKFOGJX-CZUORRHYSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C2CCC2)C1 ZINC001402281883 1001175922 /nfs/dbraw/zinc/17/59/22/1001175922.db2.gz XJMRTQJWKFOGJX-CZUORRHYSA-N 1 3 315.433 0.772 20 0 DCADHO CC[C@@H]([NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001419671824 1001212267 /nfs/dbraw/zinc/21/22/67/1001212267.db2.gz OTPMMUUZDBVNOO-SSDMNJCBSA-N 1 3 324.469 0.752 20 0 DCADHO Cc1ncc(CNC[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001419739236 1001267116 /nfs/dbraw/zinc/26/71/16/1001267116.db2.gz SALGICSHYUSIRO-ZDUSSCGKSA-N 1 3 317.437 0.817 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CCCO)C2)C1 ZINC001402400336 1001279756 /nfs/dbraw/zinc/27/97/56/1001279756.db2.gz XHUJJWUNZSVEFN-HZPDHXFCSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CCCO)C2)C1 ZINC001402400336 1001279762 /nfs/dbraw/zinc/27/97/62/1001279762.db2.gz XHUJJWUNZSVEFN-HZPDHXFCSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccnn1C ZINC001419764095 1001291216 /nfs/dbraw/zinc/29/12/16/1001291216.db2.gz BQIKIHCYDFPGDR-CYBMUJFWSA-N 1 3 307.442 0.541 20 0 DCADHO Cc1cc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)nn1C ZINC001402425607 1001296471 /nfs/dbraw/zinc/29/64/71/1001296471.db2.gz WBMWPDLFTSIYOQ-HIFRSBDPSA-N 1 3 321.469 0.864 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NCC)C1 ZINC001402436253 1001305964 /nfs/dbraw/zinc/30/59/64/1001305964.db2.gz SDBGOKXUGJQZON-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1)C1CCC1 ZINC001402496915 1001360501 /nfs/dbraw/zinc/36/05/01/1001360501.db2.gz UTCHAMBOPBPLMO-YDHLFZDLSA-N 1 3 322.453 0.328 20 0 DCADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001419879235 1001378908 /nfs/dbraw/zinc/37/89/08/1001378908.db2.gz OLBZNRSCKKYMFM-OLZOCXBDSA-N 1 3 320.437 0.591 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cnnn1C ZINC001419881380 1001380505 /nfs/dbraw/zinc/38/05/05/1001380505.db2.gz VWMWAFKSECBJSB-HNNXBMFYSA-N 1 3 322.457 0.530 20 0 DCADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCNC1=O ZINC001419881399 1001381158 /nfs/dbraw/zinc/38/11/58/1001381158.db2.gz VXXRIPOHGRHYAM-STQMWFEESA-N 1 3 310.442 0.090 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(CC)C2CC2)C1)N(C)C ZINC001402635278 1001453441 /nfs/dbraw/zinc/45/34/41/1001453441.db2.gz VEZOGGBKNTZVRD-VNHYZAJKSA-N 1 3 324.469 0.574 20 0 DCADHO CN(CCC[N@H+](C)CCNC(=O)C1CC1)C(=O)[C@H]1CCCN1C ZINC001402637550 1001454243 /nfs/dbraw/zinc/45/42/43/1001454243.db2.gz NPXCACWXCRRUTG-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCC[N@@H+](C)CCNC(=O)C1CC1)C(=O)[C@H]1CCCN1C ZINC001402637550 1001454244 /nfs/dbraw/zinc/45/42/44/1001454244.db2.gz NPXCACWXCRRUTG-OAHLLOKOSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001402649143 1001459144 /nfs/dbraw/zinc/45/91/44/1001459144.db2.gz OTBVWMNQNASVTB-CQSZACIVSA-N 1 3 312.458 0.372 20 0 DCADHO C[C@H](NC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001402759586 1001492109 /nfs/dbraw/zinc/49/21/09/1001492109.db2.gz XAFPCWPSVDICMW-STQMWFEESA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001505727953 1016498891 /nfs/dbraw/zinc/49/88/91/1016498891.db2.gz JNOKXASCLPDEMY-RYUDHWBXSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCC(=O)NC1CC1 ZINC001402779587 1001499462 /nfs/dbraw/zinc/49/94/62/1001499462.db2.gz BDHPLWJRJSCERR-WFASDCNBSA-N 1 3 322.453 0.043 20 0 DCADHO CCn1nncc1C[NH2+][C@@H](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001402841598 1001528018 /nfs/dbraw/zinc/52/80/18/1001528018.db2.gz OIRMKRQVXVTFDE-KGLIPLIRSA-N 1 3 322.457 0.624 20 0 DCADHO CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001402940997 1001592057 /nfs/dbraw/zinc/59/20/57/1001592057.db2.gz NSZUJGJTWJBTFE-YMAMQOFZSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001402949088 1001598077 /nfs/dbraw/zinc/59/80/77/1001598077.db2.gz MNCBJKSAMMJMNS-PIMMBPRGSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001403171683 1001705436 /nfs/dbraw/zinc/70/54/36/1001705436.db2.gz BFMLMLYCWCXHTL-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO CN(CC[N@H+](C)C[C@H]1CCc2ncnn21)C(=O)[C@@H]1CCCN1C ZINC001419953221 1001717203 /nfs/dbraw/zinc/71/72/03/1001717203.db2.gz KZZLWDVSKVTBCK-KGLIPLIRSA-N 1 3 320.441 0.250 20 0 DCADHO CN(CC[N@@H+](C)C[C@H]1CCc2ncnn21)C(=O)[C@@H]1CCCN1C ZINC001419953221 1001717206 /nfs/dbraw/zinc/71/72/06/1001717206.db2.gz KZZLWDVSKVTBCK-KGLIPLIRSA-N 1 3 320.441 0.250 20 0 DCADHO CNC(=O)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)C(C)C ZINC001403248285 1001760817 /nfs/dbraw/zinc/76/08/17/1001760817.db2.gz VWVINWOXYKTSHO-KBPBESRZSA-N 1 3 312.458 0.289 20 0 DCADHO CCn1cc(CN[C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)nn1 ZINC001420015271 1001763522 /nfs/dbraw/zinc/76/35/22/1001763522.db2.gz IJYYTGWRZBUFMH-KBPBESRZSA-N 1 3 322.457 0.767 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001420086984 1001830059 /nfs/dbraw/zinc/83/00/59/1001830059.db2.gz PRLITUWLLAAPFN-HIFRSBDPSA-N 1 3 324.469 0.480 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)C1=O ZINC001420089833 1001834496 /nfs/dbraw/zinc/83/44/96/1001834496.db2.gz CQZIKVBGVYCQOD-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001403344005 1001841388 /nfs/dbraw/zinc/84/13/88/1001841388.db2.gz UTUYZNVLJRKYIX-CQSZACIVSA-N 1 3 308.430 0.153 20 0 DCADHO Cc1cncc(C[NH2+]C[C@H](O)CNC(=O)CN(C)C2CCC2)c1 ZINC001420138595 1001929512 /nfs/dbraw/zinc/92/95/12/1001929512.db2.gz LNQYPQWULGIYQX-INIZCTEOSA-N 1 3 320.437 0.441 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001420143684 1001936220 /nfs/dbraw/zinc/93/62/20/1001936220.db2.gz IJZNKANRSPISDD-MRXNPFEDSA-N 1 3 317.433 0.994 20 0 DCADHO Cc1ccc(F)c(CNC[C@H](O)CNC(=O)CC[NH+](C)C)c1 ZINC001420153260 1001948204 /nfs/dbraw/zinc/94/82/04/1001948204.db2.gz ZUYGZXGFDYQPJG-AWEZNQCLSA-N 1 3 311.401 0.653 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCc1ccnn1C ZINC001403447746 1001972446 /nfs/dbraw/zinc/97/24/46/1001972446.db2.gz SHWQBKHDEMKDEW-HUUCEWRRSA-N 1 3 321.469 0.789 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cn(C)nn1 ZINC001403481438 1002014359 /nfs/dbraw/zinc/01/43/59/1002014359.db2.gz APPUSCCBFNWCHY-DZGCQCFKSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cn(C)nn1 ZINC001403481438 1002014367 /nfs/dbraw/zinc/01/43/67/1002014367.db2.gz APPUSCCBFNWCHY-DZGCQCFKSA-N 1 3 322.457 0.387 20 0 DCADHO C[C@H](C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1)[NH+]1CCCCCC1 ZINC001403522655 1002070295 /nfs/dbraw/zinc/07/02/95/1002070295.db2.gz HQMAFQSAVRUCDZ-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001505806119 1016572980 /nfs/dbraw/zinc/57/29/80/1016572980.db2.gz AHTJUAGKSQQVJO-AWEZNQCLSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCn1cccn1 ZINC001403556128 1002132542 /nfs/dbraw/zinc/13/25/42/1002132542.db2.gz OESPBBXQJOSRSM-CQSZACIVSA-N 1 3 307.442 0.804 20 0 DCADHO C[C@H](CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)NCC(N)=O ZINC001403596034 1002186882 /nfs/dbraw/zinc/18/68/82/1002186882.db2.gz IHPPKEFUQVEUOQ-CYBMUJFWSA-N 1 3 320.437 0.326 20 0 DCADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420322672 1002223949 /nfs/dbraw/zinc/22/39/49/1002223949.db2.gz TUGUJODYXSGSIU-CHWSQXEVSA-N 1 3 310.442 0.186 20 0 DCADHO CCCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001420340311 1002249397 /nfs/dbraw/zinc/24/93/97/1002249397.db2.gz PNQUWLPHMDNAIC-OLZOCXBDSA-N 1 3 312.458 0.337 20 0 DCADHO CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001403740497 1002451289 /nfs/dbraw/zinc/45/12/89/1002451289.db2.gz KNWJPKPMSHJBHV-TZMCWYRMSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N(C)C2CC2)C[C@@H]1C ZINC001403768124 1002492308 /nfs/dbraw/zinc/49/23/08/1002492308.db2.gz HDXGLVORBJWRFH-UONOGXRCSA-N 1 3 324.469 0.526 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001420578164 1002644627 /nfs/dbraw/zinc/64/46/27/1002644627.db2.gz CESBXYRUNJTGSF-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001420578164 1002644630 /nfs/dbraw/zinc/64/46/30/1002644630.db2.gz CESBXYRUNJTGSF-CABCVRRESA-N 1 3 322.457 0.589 20 0 DCADHO C[C@H](C[N@H+](C)CCc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001420620841 1002698834 /nfs/dbraw/zinc/69/88/34/1002698834.db2.gz FDUNSSGLLMZDPL-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](C[N@@H+](C)CCc1ccnn1C)NC(=O)CN1CC[C@H](C)C1 ZINC001420620841 1002698838 /nfs/dbraw/zinc/69/88/38/1002698838.db2.gz FDUNSSGLLMZDPL-LSDHHAIUSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001425571960 1002836489 /nfs/dbraw/zinc/83/64/89/1002836489.db2.gz KVRXNEONMGTSTQ-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N(C)C1CC1 ZINC001425571960 1002836506 /nfs/dbraw/zinc/83/65/06/1002836506.db2.gz KVRXNEONMGTSTQ-UMVBOHGHSA-N 1 3 324.469 0.384 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001420733299 1002883674 /nfs/dbraw/zinc/88/36/74/1002883674.db2.gz WVQBYHSUZZFELU-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](CN[C@@H](C)C(N)=O)C2CC2)CC1 ZINC001420785298 1002945445 /nfs/dbraw/zinc/94/54/45/1002945445.db2.gz SQAKQODJNHEFTB-WFASDCNBSA-N 1 3 324.469 0.465 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001420789986 1002949424 /nfs/dbraw/zinc/94/94/24/1002949424.db2.gz XJGFWTUJUVDGGP-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO Cn1cncc1CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420789986 1002949428 /nfs/dbraw/zinc/94/94/28/1002949428.db2.gz XJGFWTUJUVDGGP-BBRMVZONSA-N 1 3 319.453 0.746 20 0 DCADHO C[C@H]1[C@H](NCc2n[nH]c(C3CC3)n2)CCN1C(=O)CC[NH+](C)C ZINC001425878398 1003213159 /nfs/dbraw/zinc/21/31/59/1003213159.db2.gz GJKWTUHYSBGNJD-WCQYABFASA-N 1 3 320.441 0.713 20 0 DCADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC001421003173 1003223258 /nfs/dbraw/zinc/22/32/58/1003223258.db2.gz BKVJZQPKAXELLG-ZBFHGGJFSA-N 1 3 309.454 0.992 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N(C)C2CC2)CN1C(=O)CCC[NH+](C)C ZINC001425906815 1003246770 /nfs/dbraw/zinc/24/67/70/1003246770.db2.gz PGXGDXOEWPJJAN-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@H](C)N1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001421037112 1003256141 /nfs/dbraw/zinc/25/61/41/1003256141.db2.gz HOXSHXWUCVHIEZ-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)C(N)=O ZINC001406035200 1003285981 /nfs/dbraw/zinc/28/59/81/1003285981.db2.gz CZAZXHOKIRWYMQ-OLZOCXBDSA-N 1 3 314.474 0.569 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001421134297 1003366334 /nfs/dbraw/zinc/36/63/34/1003366334.db2.gz AQIXGVLZYNGLTD-UONOGXRCSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](O)CN1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001421151038 1003383130 /nfs/dbraw/zinc/38/31/30/1003383130.db2.gz GCIYKVDHCREWSE-AWEZNQCLSA-N 1 3 311.470 0.927 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001421169358 1003402206 /nfs/dbraw/zinc/40/22/06/1003402206.db2.gz LXDBBNMHVYMNKZ-TZMCWYRMSA-N 1 3 310.442 0.078 20 0 DCADHO Cn1ccc(CNC[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)n1 ZINC001406227106 1003498258 /nfs/dbraw/zinc/49/82/58/1003498258.db2.gz YRIRVBXFPSYADG-UKRRQHHQSA-N 1 3 307.442 0.746 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001421348502 1003571803 /nfs/dbraw/zinc/57/18/03/1003571803.db2.gz LINCQLNEFFDNEF-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001421348502 1003571811 /nfs/dbraw/zinc/57/18/11/1003571811.db2.gz LINCQLNEFFDNEF-INIZCTEOSA-N 1 3 321.469 0.837 20 0 DCADHO CCN(C)C(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001426162840 1003629414 /nfs/dbraw/zinc/62/94/14/1003629414.db2.gz KIOIODOECGXRJE-ZDUSSCGKSA-N 1 3 314.474 0.537 20 0 DCADHO COc1coc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001406429539 1003710010 /nfs/dbraw/zinc/71/00/10/1003710010.db2.gz IWEJLZFNMXOHID-NEPJUHHUSA-N 1 3 323.393 0.194 20 0 DCADHO COc1coc(CNC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1=O ZINC001406429539 1003710019 /nfs/dbraw/zinc/71/00/19/1003710019.db2.gz IWEJLZFNMXOHID-NEPJUHHUSA-N 1 3 323.393 0.194 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001428150636 1003728228 /nfs/dbraw/zinc/72/82/28/1003728228.db2.gz AACRLWZCWCVKAZ-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001428150636 1003728235 /nfs/dbraw/zinc/72/82/35/1003728235.db2.gz AACRLWZCWCVKAZ-GJZGRUSLSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001406485662 1003757146 /nfs/dbraw/zinc/75/71/46/1003757146.db2.gz DOTTVUKYVFOABI-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CNC(=O)CNC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001406485662 1003757152 /nfs/dbraw/zinc/75/71/52/1003757152.db2.gz DOTTVUKYVFOABI-LBPRGKRZSA-N 1 3 312.458 0.480 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)NC2CC2)C1 ZINC001406519159 1003782723 /nfs/dbraw/zinc/78/27/23/1003782723.db2.gz OODJITAPKDKRFI-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CNCC(=O)NC2CC2)C1 ZINC001406519159 1003782728 /nfs/dbraw/zinc/78/27/28/1003782728.db2.gz OODJITAPKDKRFI-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001406541081 1003810511 /nfs/dbraw/zinc/81/05/11/1003810511.db2.gz BVWYZAUPSXQZIO-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001428656672 1004094999 /nfs/dbraw/zinc/09/49/99/1004094999.db2.gz JPJWFJSMMXOPST-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)[C@H]1CCCN1C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001428656672 1004095008 /nfs/dbraw/zinc/09/50/08/1004095008.db2.gz JPJWFJSMMXOPST-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001428871750 1004230939 /nfs/dbraw/zinc/23/09/39/1004230939.db2.gz GHTFQQVDRKVMRY-RRFJBIMHSA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001407094381 1004373684 /nfs/dbraw/zinc/37/36/84/1004373684.db2.gz PIHBFWIMJHSQOL-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001407094381 1004373692 /nfs/dbraw/zinc/37/36/92/1004373692.db2.gz PIHBFWIMJHSQOL-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001407239038 1004491104 /nfs/dbraw/zinc/49/11/04/1004491104.db2.gz RNHXRCQBYYXJPA-WBMJQRKESA-N 1 3 310.442 0.173 20 0 DCADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)CN1CCCC1 ZINC001429395715 1004572651 /nfs/dbraw/zinc/57/26/51/1004572651.db2.gz SGDFODPOHPLRLR-UHFFFAOYSA-N 1 3 322.453 0.285 20 0 DCADHO CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001429430822 1004593276 /nfs/dbraw/zinc/59/32/76/1004593276.db2.gz CLHRMBDTPMJQOR-KBXIAJHMSA-N 1 3 322.453 0.280 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001429487582 1004627261 /nfs/dbraw/zinc/62/72/61/1004627261.db2.gz BMEGHDJGNBIHSX-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001429487582 1004627266 /nfs/dbraw/zinc/62/72/66/1004627266.db2.gz BMEGHDJGNBIHSX-HNNXBMFYSA-N 1 3 324.469 0.341 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001407822372 1004882687 /nfs/dbraw/zinc/88/26/87/1004882687.db2.gz BEUCDECJNMBFEJ-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CN(CCC[N@H+](C)CCn1cncn1)C(=O)CN1CCCC1 ZINC001407949913 1004956692 /nfs/dbraw/zinc/95/66/92/1004956692.db2.gz YAAPQDHVOOJLGU-UHFFFAOYSA-N 1 3 308.430 0.154 20 0 DCADHO CN(CCC[N@@H+](C)CCn1cncn1)C(=O)CN1CCCC1 ZINC001407949913 1004956697 /nfs/dbraw/zinc/95/66/97/1004956697.db2.gz YAAPQDHVOOJLGU-UHFFFAOYSA-N 1 3 308.430 0.154 20 0 DCADHO CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001407963836 1004962907 /nfs/dbraw/zinc/96/29/07/1004962907.db2.gz KVQDYPDXIFEFMD-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CC(N)=O)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001408290132 1005143241 /nfs/dbraw/zinc/14/32/41/1005143241.db2.gz DROIVWCHWJZSAO-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CC[N@H+](CC(N)=O)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001408290132 1005143245 /nfs/dbraw/zinc/14/32/45/1005143245.db2.gz DROIVWCHWJZSAO-UHFFFAOYSA-N 1 3 324.469 0.517 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001414931366 1005426253 /nfs/dbraw/zinc/42/62/53/1005426253.db2.gz LMVBVOUNYCUNCJ-AWEZNQCLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001415191769 1005479159 /nfs/dbraw/zinc/47/91/59/1005479159.db2.gz SQLFIEKEVBVODD-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415191769 1005479161 /nfs/dbraw/zinc/47/91/61/1005479161.db2.gz SQLFIEKEVBVODD-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C ZINC001415493447 1005545585 /nfs/dbraw/zinc/54/55/85/1005545585.db2.gz PXQNTYIOPQDNSL-HNNXBMFYSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001416010913 1005648324 /nfs/dbraw/zinc/64/83/24/1005648324.db2.gz JYZDCNMHFDTZRC-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001416010913 1005648326 /nfs/dbraw/zinc/64/83/26/1005648326.db2.gz JYZDCNMHFDTZRC-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001417136200 1005791235 /nfs/dbraw/zinc/79/12/35/1005791235.db2.gz BVZQFVHDBUIAJM-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@H]1CCCN1CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001417136200 1005791237 /nfs/dbraw/zinc/79/12/37/1005791237.db2.gz BVZQFVHDBUIAJM-KBPBESRZSA-N 1 3 322.453 0.187 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001417253779 1005811385 /nfs/dbraw/zinc/81/13/85/1005811385.db2.gz YMJXHWCIOWMDMH-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417253779 1005811387 /nfs/dbraw/zinc/81/13/87/1005811387.db2.gz YMJXHWCIOWMDMH-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418018493 1005956986 /nfs/dbraw/zinc/95/69/86/1005956986.db2.gz FMAIYTPMDHKXEZ-ZFWWWQNUSA-N 1 3 324.425 0.130 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001418018493 1005956988 /nfs/dbraw/zinc/95/69/88/1005956988.db2.gz FMAIYTPMDHKXEZ-ZFWWWQNUSA-N 1 3 324.425 0.130 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001418077576 1006010927 /nfs/dbraw/zinc/01/09/27/1006010927.db2.gz MVCIGLSYBSIVDI-UBHSHLNASA-N 1 3 310.442 0.231 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1)[NH+](CC)CC ZINC001418104585 1006046878 /nfs/dbraw/zinc/04/68/78/1006046878.db2.gz RILNSONOTVCJEJ-VNHYZAJKSA-N 1 3 322.457 0.672 20 0 DCADHO CCN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1)C1CC1 ZINC001418113950 1006058736 /nfs/dbraw/zinc/05/87/36/1006058736.db2.gz OEKXBMUXQIZQCW-OKILXGFUSA-N 1 3 324.469 0.574 20 0 DCADHO COc1ccc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cn1 ZINC001436283180 1006105312 /nfs/dbraw/zinc/10/53/12/1006105312.db2.gz FBGKDUXAYJZAEK-UKRRQHHQSA-N 1 3 320.437 0.978 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC)CC[N@@H+]1C ZINC001418166586 1006123149 /nfs/dbraw/zinc/12/31/49/1006123149.db2.gz JTPGHTVCJTXMNG-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCC(=O)NC)CC[N@H+]1C ZINC001418166586 1006123150 /nfs/dbraw/zinc/12/31/50/1006123150.db2.gz JTPGHTVCJTXMNG-SOUVJXGZSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C1(C(=O)NC2CCC([NH2+][C@H]3CCNC3=O)CC2)CCC1 ZINC001418188048 1006143577 /nfs/dbraw/zinc/14/35/77/1006143577.db2.gz UIZVBJHMCBQEMM-RUXDESIVSA-N 1 3 322.453 0.376 20 0 DCADHO C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NC2CC2)C1 ZINC001438954197 1006264556 /nfs/dbraw/zinc/26/45/56/1006264556.db2.gz SQJZMERMUZJCFQ-ZFWWWQNUSA-N 1 3 322.453 0.140 20 0 DCADHO CCNC(=O)CN1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001438954841 1006266085 /nfs/dbraw/zinc/26/60/85/1006266085.db2.gz UXNIMSZVDCUGQO-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001418279033 1006292796 /nfs/dbraw/zinc/29/27/96/1006292796.db2.gz BZAQIJCAGVPQMX-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001418298556 1006327407 /nfs/dbraw/zinc/32/74/07/1006327407.db2.gz XXPIBJQDOAATBI-SWLSCSKDSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC001451652421 1006341589 /nfs/dbraw/zinc/34/15/89/1006341589.db2.gz ZTJKXJCNDBLSEK-TZMCWYRMSA-N 1 3 321.425 0.400 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001418334817 1006396248 /nfs/dbraw/zinc/39/62/48/1006396248.db2.gz BHOQZYQQAABGBZ-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001418334817 1006396258 /nfs/dbraw/zinc/39/62/58/1006396258.db2.gz BHOQZYQQAABGBZ-ZDUSSCGKSA-N 1 3 308.430 0.536 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CCC2)C1)N(C)C ZINC001436876998 1006426751 /nfs/dbraw/zinc/42/67/51/1006426751.db2.gz DRCNMDPBRCEQQP-GJZGRUSLSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)C1(N(C)C)CCC1 ZINC001439073827 1006436013 /nfs/dbraw/zinc/43/60/13/1006436013.db2.gz ROIYLPQIXJHITP-ZDUSSCGKSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001439084283 1006452092 /nfs/dbraw/zinc/45/20/92/1006452092.db2.gz YZRZTOXWNDLFSQ-ZDUSSCGKSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418401886 1006474179 /nfs/dbraw/zinc/47/41/79/1006474179.db2.gz KMVQOYBDXDIATL-CYBMUJFWSA-N 1 3 312.458 0.480 20 0 DCADHO CCCC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001436949412 1006476572 /nfs/dbraw/zinc/47/65/72/1006476572.db2.gz AOKUZVAPOPFXEM-HZSPNIEDSA-N 1 3 324.469 0.752 20 0 DCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCc2ncnn21)N(C)C ZINC001439128468 1006498488 /nfs/dbraw/zinc/49/84/88/1006498488.db2.gz HYHQMFLDWJMZMP-FRRDWIJNSA-N 1 3 308.430 0.200 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001437022937 1006535940 /nfs/dbraw/zinc/53/59/40/1006535940.db2.gz QPEAJAXFHOTVQX-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001437022945 1006536002 /nfs/dbraw/zinc/53/60/02/1006536002.db2.gz QPEAJAXFHOTVQX-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)CN(C)C1CCC1 ZINC001439219673 1006594740 /nfs/dbraw/zinc/59/47/40/1006594740.db2.gz CJBRBDSXFLJGFH-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439225500 1006598642 /nfs/dbraw/zinc/59/86/42/1006598642.db2.gz WIRZIISGEPXUGG-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCc1cnn(C)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001439225500 1006598654 /nfs/dbraw/zinc/59/86/54/1006598654.db2.gz WIRZIISGEPXUGG-DZGCQCFKSA-N 1 3 307.442 0.889 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439227009 1006603452 /nfs/dbraw/zinc/60/34/52/1006603452.db2.gz SXNLBYUMWQDRHJ-STQMWFEESA-N 1 3 310.442 0.091 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001437270002 1006790018 /nfs/dbraw/zinc/79/00/18/1006790018.db2.gz YVQTYFPLVMVDRK-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001437274532 1006793159 /nfs/dbraw/zinc/79/31/59/1006793159.db2.gz RIYXMGSGJCHOLB-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001437274532 1006793173 /nfs/dbraw/zinc/79/31/73/1006793173.db2.gz RIYXMGSGJCHOLB-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001437289812 1006806301 /nfs/dbraw/zinc/80/63/01/1006806301.db2.gz QNGWNDOLTAJSML-GJZGRUSLSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001437302619 1006819276 /nfs/dbraw/zinc/81/92/76/1006819276.db2.gz WKBLCLOFPYZPTQ-LSDHHAIUSA-N 1 3 324.469 0.291 20 0 DCADHO CN(C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C1CC1 ZINC001437305410 1006820984 /nfs/dbraw/zinc/82/09/84/1006820984.db2.gz AWWURTUUOIMOBO-LBPRGKRZSA-N 1 3 319.409 0.011 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C[C@H]1CCc2ncnn21)[NH+](C)C ZINC001437477276 1007018781 /nfs/dbraw/zinc/01/87/81/1007018781.db2.gz LJJNTVFHROYVHS-HIFRSBDPSA-N 1 3 322.457 0.400 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCN(C)C1=O ZINC001439782746 1007193469 /nfs/dbraw/zinc/19/34/69/1007193469.db2.gz IOHRMAOTWZPPKW-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H]1CCN(C)C1=O ZINC001439782746 1007193475 /nfs/dbraw/zinc/19/34/75/1007193475.db2.gz IOHRMAOTWZPPKW-KBPBESRZSA-N 1 3 310.442 0.140 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCn3cccn3)C2)C1 ZINC001437725932 1007318390 /nfs/dbraw/zinc/31/83/90/1007318390.db2.gz KHYVVTDUDPYSIM-JKSUJKDBSA-N 1 3 319.453 0.663 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCn3cccn3)C2)C1 ZINC001437725932 1007318405 /nfs/dbraw/zinc/31/84/05/1007318405.db2.gz KHYVVTDUDPYSIM-JKSUJKDBSA-N 1 3 319.453 0.663 20 0 DCADHO CO[C@@H](C)CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001437786751 1007405875 /nfs/dbraw/zinc/40/58/75/1007405875.db2.gz VENANQWWOVHUAO-BBRMVZONSA-N 1 3 309.454 0.944 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001437833976 1007447596 /nfs/dbraw/zinc/44/75/96/1007447596.db2.gz LXEVSKMWWFNHQK-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)N1CC[C@H](NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001437833976 1007447609 /nfs/dbraw/zinc/44/76/09/1007447609.db2.gz LXEVSKMWWFNHQK-KFWWJZLASA-N 1 3 324.469 0.384 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC(N)=O)CC1)N(C)C ZINC001437847261 1007461052 /nfs/dbraw/zinc/46/10/52/1007461052.db2.gz FOWSTNOWYAGHOP-IUODEOHRSA-N 1 3 312.458 0.275 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001437859828 1007469776 /nfs/dbraw/zinc/46/97/76/1007469776.db2.gz XPQUZBYWJCZAQF-DZGCQCFKSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001440194721 1007570047 /nfs/dbraw/zinc/57/00/47/1007570047.db2.gz JQSFRUUTMUAFHL-RRFJBIMHSA-N 1 3 315.433 0.724 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001440194721 1007570054 /nfs/dbraw/zinc/57/00/54/1007570054.db2.gz JQSFRUUTMUAFHL-RRFJBIMHSA-N 1 3 315.433 0.724 20 0 DCADHO CNC(=O)CN[C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001440465394 1007801395 /nfs/dbraw/zinc/80/13/95/1007801395.db2.gz MMSPYZAIXUBBIH-CQSZACIVSA-N 1 3 322.453 0.189 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1c(C)nnn1CC ZINC001438367078 1007860604 /nfs/dbraw/zinc/86/06/04/1007860604.db2.gz MFTYNJDIOOMCMS-KBPBESRZSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1c(C)nnn1CC ZINC001438367078 1007860615 /nfs/dbraw/zinc/86/06/15/1007860615.db2.gz MFTYNJDIOOMCMS-KBPBESRZSA-N 1 3 322.457 0.543 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC ZINC001438374023 1007868827 /nfs/dbraw/zinc/86/88/27/1007868827.db2.gz QYGUQVBSHXSFDU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC ZINC001438374023 1007868837 /nfs/dbraw/zinc/86/88/37/1007868837.db2.gz QYGUQVBSHXSFDU-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001438550019 1007990024 /nfs/dbraw/zinc/99/00/24/1007990024.db2.gz YHISIBPPQOAROE-UKRRQHHQSA-N 1 3 309.458 0.848 20 0 DCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(=O)NC)N(C)C ZINC001440879128 1008082633 /nfs/dbraw/zinc/08/26/33/1008082633.db2.gz ANQXEHBFMYVLPM-STQMWFEESA-N 1 3 314.474 0.535 20 0 DCADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001440843058 1008061217 /nfs/dbraw/zinc/06/12/17/1008061217.db2.gz PSKYKPXERNREAI-NEPJUHHUSA-N 1 3 306.410 0.330 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001440861715 1008077417 /nfs/dbraw/zinc/07/74/17/1008077417.db2.gz PJBHNOFWKROWSH-STQMWFEESA-N 1 3 320.437 0.591 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)C[C@@H]1CCc2ncnn21 ZINC001440981587 1008156225 /nfs/dbraw/zinc/15/62/25/1008156225.db2.gz DUZGGXNLNBBWRX-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)C[C@@H]1CCc2ncnn21 ZINC001440981587 1008156227 /nfs/dbraw/zinc/15/62/27/1008156227.db2.gz DUZGGXNLNBBWRX-KGLIPLIRSA-N 1 3 322.457 0.544 20 0 DCADHO CN(CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1)CC(C)(C)C ZINC001441452036 1008360199 /nfs/dbraw/zinc/36/01/99/1008360199.db2.gz WUYJXZNUFPYTJM-CYBMUJFWSA-N 1 3 312.458 0.276 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001441528028 1008391472 /nfs/dbraw/zinc/39/14/72/1008391472.db2.gz WUSAVRQBQVHPBG-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001441528028 1008391473 /nfs/dbraw/zinc/39/14/73/1008391473.db2.gz WUSAVRQBQVHPBG-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CCc1ccnn1C ZINC001441536149 1008394443 /nfs/dbraw/zinc/39/44/43/1008394443.db2.gz JSTNKNLSCZFMMP-CQSZACIVSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cnn(C)c1 ZINC001441541768 1008397592 /nfs/dbraw/zinc/39/75/92/1008397592.db2.gz UABMKPFBILZLKT-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1)N1CCCCC1 ZINC001441589678 1008415588 /nfs/dbraw/zinc/41/55/88/1008415588.db2.gz NSOMEMSDGXXRAF-CQSZACIVSA-N 1 3 324.469 0.564 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCc1cnn(C)c1 ZINC001441592180 1008416309 /nfs/dbraw/zinc/41/63/09/1008416309.db2.gz FSXTXOZAHCKVIZ-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCc1cnn(C)c1 ZINC001441592180 1008416310 /nfs/dbraw/zinc/41/63/10/1008416310.db2.gz FSXTXOZAHCKVIZ-KGLIPLIRSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CC(=O)N1CCCC1 ZINC001441594230 1008417684 /nfs/dbraw/zinc/41/76/84/1008417684.db2.gz RREZDDPICGHPML-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001441636748 1008433245 /nfs/dbraw/zinc/43/32/45/1008433245.db2.gz AJGDLVDONCOWND-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001441636748 1008433247 /nfs/dbraw/zinc/43/32/47/1008433247.db2.gz AJGDLVDONCOWND-KBPBESRZSA-N 1 3 310.442 0.317 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001441655096 1008442276 /nfs/dbraw/zinc/44/22/76/1008442276.db2.gz LHMUEPHGPXTGNE-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001441656653 1008443755 /nfs/dbraw/zinc/44/37/55/1008443755.db2.gz QESPAZXHMHDHHN-OCCSQVGLSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CC(F)(F)C2)C1 ZINC001441757885 1008489719 /nfs/dbraw/zinc/48/97/19/1008489719.db2.gz RVWNNEIJUBWPLG-YPMHNXCESA-N 1 3 319.396 0.440 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001441838522 1008551302 /nfs/dbraw/zinc/55/13/02/1008551302.db2.gz WKFMXHDBPIAHGR-KGLIPLIRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](CNC(=O)C(C)(C)N1CCCC1)[NH2+][C@H](CC)C(N)=O ZINC001421445370 1008601667 /nfs/dbraw/zinc/60/16/67/1008601667.db2.gz YEMKDGMXEZHALB-CHWSQXEVSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001441880762 1008615864 /nfs/dbraw/zinc/61/58/64/1008615864.db2.gz SNNQASPCFGKRQU-NWDGAFQWSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@@H](N[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(N)=O ZINC001441880762 1008615875 /nfs/dbraw/zinc/61/58/75/1008615875.db2.gz SNNQASPCFGKRQU-NWDGAFQWSA-N 1 3 312.458 0.608 20 0 DCADHO CCNC(=O)CNC[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001421542481 1008706187 /nfs/dbraw/zinc/70/61/87/1008706187.db2.gz KIRLACUOPVJHKB-MRRJBJDNSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CNC[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001421542481 1008706196 /nfs/dbraw/zinc/70/61/96/1008706196.db2.gz KIRLACUOPVJHKB-MRRJBJDNSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCc1cncc(F)c1 ZINC001442005458 1008790567 /nfs/dbraw/zinc/79/05/67/1008790567.db2.gz FKIVOUQUZUDOLS-LBPRGKRZSA-N 1 3 306.385 0.911 20 0 DCADHO CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001421691267 1008939063 /nfs/dbraw/zinc/93/90/63/1008939063.db2.gz VLGRTWDNUKEJHP-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)C(N)=O ZINC001442126769 1008994716 /nfs/dbraw/zinc/99/47/16/1008994716.db2.gz BJJLNVCMHCBWCC-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)nn1C ZINC001421750538 1009033037 /nfs/dbraw/zinc/03/30/37/1009033037.db2.gz BKXPVWIKJIURNN-UKRRQHHQSA-N 1 3 321.469 0.912 20 0 DCADHO Cc1cc(CNC[C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)nn1C ZINC001421750538 1009033039 /nfs/dbraw/zinc/03/30/39/1009033039.db2.gz BKXPVWIKJIURNN-UKRRQHHQSA-N 1 3 321.469 0.912 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001442166554 1009044735 /nfs/dbraw/zinc/04/47/35/1009044735.db2.gz ZTBMKNXONBZEJB-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)N1CCC1)C(C)(C)C ZINC001442181659 1009059754 /nfs/dbraw/zinc/05/97/54/1009059754.db2.gz MQVWEBDBNYFNQC-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCn1cccn1 ZINC001442291642 1009163916 /nfs/dbraw/zinc/16/39/16/1009163916.db2.gz DMJFJWRTACDPBQ-HUUCEWRRSA-N 1 3 307.442 0.709 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001454622852 1009231550 /nfs/dbraw/zinc/23/15/50/1009231550.db2.gz LFMPGLRMDWJGIE-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001454622852 1009231562 /nfs/dbraw/zinc/23/15/62/1009231562.db2.gz LFMPGLRMDWJGIE-UONOGXRCSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O)CC1 ZINC001421964643 1009327315 /nfs/dbraw/zinc/32/73/15/1009327315.db2.gz JEGODYNOHWSZHR-QWHCGFSZSA-N 1 3 312.458 0.417 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421996967 1009382841 /nfs/dbraw/zinc/38/28/41/1009382841.db2.gz XUTDCXPLKFWPJP-JSGCOSHPSA-N 1 3 322.457 0.495 20 0 DCADHO CCn1nnc(C)c1CNC[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421996967 1009382856 /nfs/dbraw/zinc/38/28/56/1009382856.db2.gz XUTDCXPLKFWPJP-JSGCOSHPSA-N 1 3 322.457 0.495 20 0 DCADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001434089665 1009545200 /nfs/dbraw/zinc/54/52/00/1009545200.db2.gz HOQUGIMCHIDMNA-UHFFFAOYSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[N@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC001434089211 1009545948 /nfs/dbraw/zinc/54/59/48/1009545948.db2.gz QSAIDVOCOVWYMA-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC001434089211 1009545950 /nfs/dbraw/zinc/54/59/50/1009545950.db2.gz QSAIDVOCOVWYMA-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCCC1 ZINC001422158273 1009578970 /nfs/dbraw/zinc/57/89/70/1009578970.db2.gz QHMZUVGOQDKUOI-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001506161049 1017081924 /nfs/dbraw/zinc/08/19/24/1017081924.db2.gz JIPVIPGJWKJIHY-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCCN(C)CC(=O)NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001506161049 1017081926 /nfs/dbraw/zinc/08/19/26/1017081926.db2.gz JIPVIPGJWKJIHY-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCN1CC[C@@H](NCCN(C)C(=O)CCC[NH+]2CCCC2)C1=O ZINC001443098668 1010136168 /nfs/dbraw/zinc/13/61/68/1010136168.db2.gz IKLPHYSBDAAHEA-OAHLLOKOSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC001443102745 1010143079 /nfs/dbraw/zinc/14/30/79/1010143079.db2.gz QLTQEGAXRZXCKI-CQSZACIVSA-N 1 3 314.474 0.630 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001456298889 1010178588 /nfs/dbraw/zinc/17/85/88/1010178588.db2.gz LPUVJKQRMCRSRO-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001456298889 1010178597 /nfs/dbraw/zinc/17/85/97/1010178597.db2.gz LPUVJKQRMCRSRO-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001422645528 1010447829 /nfs/dbraw/zinc/44/78/29/1010447829.db2.gz HMBSRVWRFVBJOF-STQMWFEESA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](CNCc1ccnn1C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001422700032 1010498629 /nfs/dbraw/zinc/49/86/29/1010498629.db2.gz JJLXLZLMYXLXIY-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001443614743 1010538508 /nfs/dbraw/zinc/53/85/08/1010538508.db2.gz NHGNBUNACBAYPI-LSDHHAIUSA-N 1 3 309.454 0.803 20 0 DCADHO C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001422847408 1010669782 /nfs/dbraw/zinc/66/97/82/1010669782.db2.gz CGRNWPVICWRHAX-ZIAGYGMSSA-N 1 3 315.458 0.162 20 0 DCADHO CN(CC(=O)N(C)C1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001422924138 1010742885 /nfs/dbraw/zinc/74/28/85/1010742885.db2.gz BMMUTGJCFHQNPR-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001443921194 1010750172 /nfs/dbraw/zinc/75/01/72/1010750172.db2.gz STOITWWLRORACW-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001443988264 1010790491 /nfs/dbraw/zinc/79/04/91/1010790491.db2.gz SNFZKZHSWIXFSL-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(=O)N2CCC2)C2CC2)C1 ZINC001423025576 1010819306 /nfs/dbraw/zinc/81/93/06/1010819306.db2.gz XZVNCYCTTJAGSU-UKRRQHHQSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cncn1C ZINC001423073265 1010864464 /nfs/dbraw/zinc/86/44/64/1010864464.db2.gz LIRODANIYKRXSZ-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001444240372 1010919333 /nfs/dbraw/zinc/91/93/33/1010919333.db2.gz DGBIXHDZORYQKQ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001444240372 1010919337 /nfs/dbraw/zinc/91/93/37/1010919337.db2.gz DGBIXHDZORYQKQ-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001444401430 1011000950 /nfs/dbraw/zinc/00/09/50/1011000950.db2.gz CYRYUEWHQQQHAG-JSGCOSHPSA-N 1 3 305.426 0.579 20 0 DCADHO Cc1cnc(CNC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001444401430 1011000955 /nfs/dbraw/zinc/00/09/55/1011000955.db2.gz CYRYUEWHQQQHAG-JSGCOSHPSA-N 1 3 305.426 0.579 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)[C@H]1C ZINC001423320911 1011075024 /nfs/dbraw/zinc/07/50/24/1011075024.db2.gz BNQKHEWLSUELAJ-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001444685799 1011129695 /nfs/dbraw/zinc/12/96/95/1011129695.db2.gz OGMYVFFGWNLPHX-ZDUSSCGKSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001444724339 1011148039 /nfs/dbraw/zinc/14/80/39/1011148039.db2.gz SBNFLGYTZVHLRD-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001423482815 1011178712 /nfs/dbraw/zinc/17/87/12/1011178712.db2.gz UBFKWRSOWWPISB-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001444825797 1011181221 /nfs/dbraw/zinc/18/12/21/1011181221.db2.gz KGKHYVAGOCTMEJ-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001423490940 1011183897 /nfs/dbraw/zinc/18/38/97/1011183897.db2.gz OYWHEEBSMJADMM-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccnn1C ZINC001444931115 1011218746 /nfs/dbraw/zinc/21/87/46/1011218746.db2.gz ABNMMSORLWAWHG-OAHLLOKOSA-N 1 3 309.458 0.991 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C1CCCC1 ZINC001423539709 1011231747 /nfs/dbraw/zinc/23/17/47/1011231747.db2.gz ZEXDDLXNUYQSHM-JSGCOSHPSA-N 1 3 312.458 0.465 20 0 DCADHO Cc1noc(CCCN2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001423594071 1011325938 /nfs/dbraw/zinc/32/59/38/1011325938.db2.gz XEHLSQUGTSILCZ-MRXNPFEDSA-N 1 3 323.441 0.843 20 0 DCADHO CCN(CC)CC(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001456532743 1011327902 /nfs/dbraw/zinc/32/79/02/1011327902.db2.gz KZDOPBHMLJJOHM-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001423616602 1011351196 /nfs/dbraw/zinc/35/11/96/1011351196.db2.gz QPTYQOGODVASBB-QWHCGFSZSA-N 1 3 312.458 0.147 20 0 DCADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001423616602 1011351206 /nfs/dbraw/zinc/35/12/06/1011351206.db2.gz QPTYQOGODVASBB-QWHCGFSZSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]1CCCN1C)[NH+](C)C ZINC001533425882 1011384513 /nfs/dbraw/zinc/38/45/13/1011384513.db2.gz UOIBTLGACWBPQE-NHQLZKDQSA-N 1 3 324.469 0.455 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001423648892 1011389236 /nfs/dbraw/zinc/38/92/36/1011389236.db2.gz VWCRGTXDQVTZRR-RHSMWYFYSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC001431694951 1011552388 /nfs/dbraw/zinc/55/23/88/1011552388.db2.gz GZOVPMDHHQZZJL-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001445280609 1011609104 /nfs/dbraw/zinc/60/91/04/1011609104.db2.gz VAAICPAUGWDDDE-NWDGAFQWSA-N 1 3 312.439 0.052 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001445280609 1011609110 /nfs/dbraw/zinc/60/91/10/1011609110.db2.gz VAAICPAUGWDDDE-NWDGAFQWSA-N 1 3 312.439 0.052 20 0 DCADHO CN(CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC001534872257 1011708513 /nfs/dbraw/zinc/70/85/13/1011708513.db2.gz CPVYILQQYCSAOM-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC001534872257 1011708523 /nfs/dbraw/zinc/70/85/23/1011708523.db2.gz CPVYILQQYCSAOM-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@H](C)OC)C1 ZINC001424051369 1011916496 /nfs/dbraw/zinc/91/64/96/1011916496.db2.gz ZAZKXQUMYPAAHT-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@H](C)OC)C1 ZINC001424051369 1011916501 /nfs/dbraw/zinc/91/65/01/1011916501.db2.gz ZAZKXQUMYPAAHT-HOCLYGCPSA-N 1 3 315.458 0.306 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001553416483 1011956030 /nfs/dbraw/zinc/95/60/30/1011956030.db2.gz XLHGPNGIAJCHKZ-AWEZNQCLSA-N 1 3 310.442 0.635 20 0 DCADHO COCCN1CCC(NC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553438998 1011975734 /nfs/dbraw/zinc/97/57/34/1011975734.db2.gz IUBMDVBACOAAHS-CJNGLKHVSA-N 1 3 310.442 0.539 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH3+])C2(CCC2)C1 ZINC001553453002 1011992740 /nfs/dbraw/zinc/99/27/40/1011992740.db2.gz WMNQXRGNWIDXOL-ZIAGYGMSSA-N 1 3 310.442 0.620 20 0 DCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553497670 1012034961 /nfs/dbraw/zinc/03/49/61/1012034961.db2.gz LLVKZCMQLGDJGE-VGWMRTNUSA-N 1 3 324.469 0.745 20 0 DCADHO CCc1nc([C@H](C)NC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001445643430 1012048094 /nfs/dbraw/zinc/04/80/94/1012048094.db2.gz ARERZDTTXIWOSD-RYUDHWBXSA-N 1 3 320.441 0.618 20 0 DCADHO C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553531485 1012083906 /nfs/dbraw/zinc/08/39/06/1012083906.db2.gz PXBCQDSNXLUEDW-TUVASFSCSA-N 1 3 310.442 0.083 20 0 DCADHO CN1CCCC[C@@H]1CNC(=O)N1C[C@@H]([NH3+])C2(C1)CCOCC2 ZINC001553546447 1012098320 /nfs/dbraw/zinc/09/83/20/1012098320.db2.gz FYHAPXHHDZLOCU-ZIAGYGMSSA-N 1 3 310.442 0.620 20 0 DCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001553551026 1012100756 /nfs/dbraw/zinc/10/07/56/1012100756.db2.gz QLSSKEQAOCFPHR-ZJIFWQFVSA-N 1 3 324.469 0.745 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001458226510 1012114708 /nfs/dbraw/zinc/11/47/08/1012114708.db2.gz WVNVSBOWZDOYHS-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001458226510 1012114717 /nfs/dbraw/zinc/11/47/17/1012114717.db2.gz WVNVSBOWZDOYHS-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO Cn1cnc([C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2N)c1 ZINC001553979036 1012160162 /nfs/dbraw/zinc/16/01/62/1012160162.db2.gz VIULVSISHNZYGN-CVEARBPZSA-N 1 3 323.404 0.928 20 0 DCADHO Cn1cnc([C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2N)c1 ZINC001553979036 1012160170 /nfs/dbraw/zinc/16/01/70/1012160170.db2.gz VIULVSISHNZYGN-CVEARBPZSA-N 1 3 323.404 0.928 20 0 DCADHO CCN(CC)CC(=O)N1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001432241742 1012189381 /nfs/dbraw/zinc/18/93/81/1012189381.db2.gz PKUPREJXGZGIJW-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)NC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001424227545 1012196884 /nfs/dbraw/zinc/19/68/84/1012196884.db2.gz UYQRPSJPDJTQHR-UHFFFAOYSA-N 1 3 322.453 0.235 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC)[C@H](CC)C1 ZINC001446000957 1012508997 /nfs/dbraw/zinc/50/89/97/1012508997.db2.gz AXBNMMHAVTUCFL-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001424489377 1012570553 /nfs/dbraw/zinc/57/05/53/1012570553.db2.gz VIYOMRXHURUAMZ-WFASDCNBSA-N 1 3 307.442 0.617 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C)N(C)C ZINC001446146356 1012637991 /nfs/dbraw/zinc/63/79/91/1012637991.db2.gz XZSXXGFONKHNJL-HZSPNIEDSA-N 1 3 312.458 0.384 20 0 DCADHO O=C(Nc1cnc2c(c1)CNCC2)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548555829 1012710929 /nfs/dbraw/zinc/71/09/29/1012710929.db2.gz WAESTDVHPUAVHZ-UHFFFAOYSA-N 1 3 315.377 0.564 20 0 DCADHO CC[C@H](NC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1)C(N)=O ZINC001446301493 1012736484 /nfs/dbraw/zinc/73/64/84/1012736484.db2.gz UCZIODCBDPTRPB-UONOGXRCSA-N 1 3 324.469 0.609 20 0 DCADHO CC1(C)CN(C(=O)c2cc3c(s2)CCNC3)CC2(C[NH2+]C2)O1 ZINC001548576982 1012752037 /nfs/dbraw/zinc/75/20/37/1012752037.db2.gz XCBCNJIEJRYHSS-UHFFFAOYSA-N 1 3 321.446 0.987 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001446484021 1012814656 /nfs/dbraw/zinc/81/46/56/1012814656.db2.gz XYUXHOCFWFRHKC-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001446484021 1012814676 /nfs/dbraw/zinc/81/46/76/1012814676.db2.gz XYUXHOCFWFRHKC-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001429874388 1012898448 /nfs/dbraw/zinc/89/84/48/1012898448.db2.gz ROHANMMLKIIPMK-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001429874388 1012898469 /nfs/dbraw/zinc/89/84/69/1012898469.db2.gz ROHANMMLKIIPMK-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CN(CC(=O)N(C)C1CN(C(=O)CCC[NH+](C)C)C1)C1CCC1 ZINC001506298791 1017191353 /nfs/dbraw/zinc/19/13/53/1017191353.db2.gz CWXRIHZYCXIAOR-UHFFFAOYSA-N 1 3 324.469 0.482 20 0 DCADHO C[NH+](C)CC1(C(=O)NC2(CNCC(N)=O)CCCCC2)CC1 ZINC001506515832 1017334191 /nfs/dbraw/zinc/33/41/91/1017334191.db2.gz GGBUVZWUSQTWKR-UHFFFAOYSA-N 1 3 310.442 0.222 20 0 DCADHO C[C@@H](N[C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(N)=O ZINC001479690581 1017655804 /nfs/dbraw/zinc/65/58/04/1017655804.db2.gz RDJYGIANTJIHTN-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001506959221 1017706284 /nfs/dbraw/zinc/70/62/84/1017706284.db2.gz ZKUYKZQRQGPPNO-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)CC(=O)NC)CC1 ZINC001506959221 1017706296 /nfs/dbraw/zinc/70/62/96/1017706296.db2.gz ZKUYKZQRQGPPNO-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CN(CC(=O)NC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001506967098 1017710064 /nfs/dbraw/zinc/71/00/64/1017710064.db2.gz JQMSMWAVQZCWRT-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CN(CC(=O)NC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001506967098 1017710077 /nfs/dbraw/zinc/71/00/77/1017710077.db2.gz JQMSMWAVQZCWRT-CYBMUJFWSA-N 1 3 322.453 0.140 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497383183 1018100454 /nfs/dbraw/zinc/10/04/54/1018100454.db2.gz GQUFZULAFAKQIQ-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001499858398 1018106695 /nfs/dbraw/zinc/10/66/95/1018106695.db2.gz VNRBPWUCJBUBFP-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001499920230 1018135223 /nfs/dbraw/zinc/13/52/23/1018135223.db2.gz BLZVEVIYMNKJEC-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001499950970 1018150036 /nfs/dbraw/zinc/15/00/36/1018150036.db2.gz SEILGHSIOVZFPX-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001499950970 1018150046 /nfs/dbraw/zinc/15/00/46/1018150046.db2.gz SEILGHSIOVZFPX-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O ZINC001497601027 1018266039 /nfs/dbraw/zinc/26/60/39/1018266039.db2.gz RJMQXACPTMRQBI-ZYDHHDLOSA-N 1 3 322.453 0.354 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O ZINC001497601027 1018266047 /nfs/dbraw/zinc/26/60/47/1018266047.db2.gz RJMQXACPTMRQBI-ZYDHHDLOSA-N 1 3 322.453 0.354 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C1)N(C)C ZINC001480209422 1018318073 /nfs/dbraw/zinc/31/80/73/1018318073.db2.gz JDJXOCGOEKECIK-ZNMIVQPWSA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001495110473 1018321537 /nfs/dbraw/zinc/32/15/37/1018321537.db2.gz YCWIEYOFPWVFSJ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001495110473 1018321547 /nfs/dbraw/zinc/32/15/47/1018321547.db2.gz YCWIEYOFPWVFSJ-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H]1CCN(C)C1=O ZINC001495137391 1018341263 /nfs/dbraw/zinc/34/12/63/1018341263.db2.gz KKCUBLXMIFXLLR-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)N(C)C ZINC001495137464 1018342867 /nfs/dbraw/zinc/34/28/67/1018342867.db2.gz LAPSENYIQGNXQY-CQSZACIVSA-N 1 3 312.458 0.435 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001480307717 1018415685 /nfs/dbraw/zinc/41/56/85/1018415685.db2.gz VNAQIRFEVHBELO-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCNC(=O)CNC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001497835156 1018459210 /nfs/dbraw/zinc/45/92/10/1018459210.db2.gz POBRVNVHTXIMKF-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[NH+](CC)CC ZINC001480394648 1018497565 /nfs/dbraw/zinc/49/75/65/1018497565.db2.gz WJZQYMRPFPNCLB-AIEDFZFUSA-N 1 3 322.453 0.042 20 0 DCADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1)C(N)=O ZINC001495481460 1018532203 /nfs/dbraw/zinc/53/22/03/1018532203.db2.gz IELOPMLTRRTYAQ-IHRRRGAJSA-N 1 3 312.458 0.608 20 0 DCADHO C[C@H](C(N)=O)N1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001495536068 1018563173 /nfs/dbraw/zinc/56/31/73/1018563173.db2.gz OQRMNWCUKZRZBH-CYBMUJFWSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCc1cnn(C)c1 ZINC001480476666 1018574976 /nfs/dbraw/zinc/57/49/76/1018574976.db2.gz GEYQGTHNKAWGEK-CYBMUJFWSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)N[C@@H](C)C(N)=O ZINC001480508432 1018616533 /nfs/dbraw/zinc/61/65/33/1018616533.db2.gz BPTJOPSXIVOVLR-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N[C@@H](C)C(N)=O ZINC001480508432 1018616538 /nfs/dbraw/zinc/61/65/38/1018616538.db2.gz BPTJOPSXIVOVLR-OLZOCXBDSA-N 1 3 312.458 0.609 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001495678967 1018643864 /nfs/dbraw/zinc/64/38/64/1018643864.db2.gz GBZIUWNEKZIIOO-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NCC(=O)NC2CC2)CC1 ZINC001480561593 1018660764 /nfs/dbraw/zinc/66/07/64/1018660764.db2.gz HTDDHQVKFLNWRA-CYBMUJFWSA-N 1 3 324.469 0.480 20 0 DCADHO COc1ncc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)n1 ZINC001480590385 1018685605 /nfs/dbraw/zinc/68/56/05/1018685605.db2.gz LWOYPCCLKWHAFX-WCQYABFASA-N 1 3 321.425 0.340 20 0 DCADHO COc1ncc(CN[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)n1 ZINC001480590385 1018685616 /nfs/dbraw/zinc/68/56/16/1018685616.db2.gz LWOYPCCLKWHAFX-WCQYABFASA-N 1 3 321.425 0.340 20 0 DCADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC001480792306 1018913771 /nfs/dbraw/zinc/91/37/71/1018913771.db2.gz LNKXVRAJWLWQFR-CHWSQXEVSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)C(N)=O ZINC001480793067 1018918828 /nfs/dbraw/zinc/91/88/28/1018918828.db2.gz XYFYGVABCODPOV-NEPJUHHUSA-N 1 3 300.447 0.323 20 0 DCADHO Cc1cnc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001480808924 1018935903 /nfs/dbraw/zinc/93/59/03/1018935903.db2.gz QZDOVOMEUJDZBA-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO Cc1cnc(CN[C@H](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001480808924 1018935925 /nfs/dbraw/zinc/93/59/25/1018935925.db2.gz QZDOVOMEUJDZBA-OCCSQVGLSA-N 1 3 305.426 0.721 20 0 DCADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CCn1cccn1 ZINC001493020781 1019014506 /nfs/dbraw/zinc/01/45/06/1019014506.db2.gz HFVMQAIJSFMEDD-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CCn1cccn1 ZINC001493020781 1019014520 /nfs/dbraw/zinc/01/45/20/1019014520.db2.gz HFVMQAIJSFMEDD-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO C[C@@H](CNCc1ccnn1C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496060935 1019025424 /nfs/dbraw/zinc/02/54/24/1019025424.db2.gz JCAXCTYGPVPKKH-XJKSGUPXSA-N 1 3 319.453 0.698 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001496206311 1019163284 /nfs/dbraw/zinc/16/32/84/1019163284.db2.gz HWETUGUGXRVDGW-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO Cc1nc(CNC[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001496206311 1019163290 /nfs/dbraw/zinc/16/32/90/1019163290.db2.gz HWETUGUGXRVDGW-YPMHNXCESA-N 1 3 308.430 0.391 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496228701 1019177301 /nfs/dbraw/zinc/17/73/01/1019177301.db2.gz BVKJKBKROVZYPJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CNCC(=O)N1CCCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496228701 1019177312 /nfs/dbraw/zinc/17/73/12/1019177312.db2.gz BVKJKBKROVZYPJ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO O=C(N(CCO)CCNC/C=C\Cl)C12CCC[NH+]1CCC2 ZINC001501469120 1019208207 /nfs/dbraw/zinc/20/82/07/1019208207.db2.gz HCUMIRYZWUSKHT-UTCJRWHESA-N 1 3 315.845 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496308191 1019233694 /nfs/dbraw/zinc/23/36/94/1019233694.db2.gz LTVJLATXLIVDRC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496308191 1019233701 /nfs/dbraw/zinc/23/37/01/1019233701.db2.gz LTVJLATXLIVDRC-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H]1CCN(CC(=O)N(CCO)CC[NH2+]Cc2cccnc2)C1 ZINC001501492773 1019240825 /nfs/dbraw/zinc/24/08/25/1019240825.db2.gz LFXVMCPKILSQEN-HNNXBMFYSA-N 1 3 320.437 0.334 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001496404238 1019291619 /nfs/dbraw/zinc/29/16/19/1019291619.db2.gz NHQLLORFBMHXEM-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1nnc(CN[C@H](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)[nH]1 ZINC001496449298 1019318664 /nfs/dbraw/zinc/31/86/64/1019318664.db2.gz OIQPMCGSWIKKDX-OCCSQVGLSA-N 1 3 322.457 0.782 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001501640429 1019348372 /nfs/dbraw/zinc/34/83/72/1019348372.db2.gz BRZNBLOEOLTFKS-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO Cn1ccnc1CNCC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501647107 1019352676 /nfs/dbraw/zinc/35/26/76/1019352676.db2.gz BWMZFJVPSCWVCF-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO Cn1ccnc1CNCC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501647107 1019352689 /nfs/dbraw/zinc/35/26/89/1019352689.db2.gz BWMZFJVPSCWVCF-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001493365690 1019363336 /nfs/dbraw/zinc/36/33/36/1019363336.db2.gz AUVGHXCWSTZMSE-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cn1 ZINC001496643109 1019477182 /nfs/dbraw/zinc/47/71/82/1019477182.db2.gz NENGNIYLAWOIHB-HOTGVXAUSA-N 1 3 319.453 0.967 20 0 DCADHO Cc1ncc(CN[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C(C)C)cn1 ZINC001496643109 1019477205 /nfs/dbraw/zinc/47/72/05/1019477205.db2.gz NENGNIYLAWOIHB-HOTGVXAUSA-N 1 3 319.453 0.967 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)N(C)C)CC[N@@H+]1C ZINC001493550463 1019511592 /nfs/dbraw/zinc/51/15/92/1019511592.db2.gz HKAAASPJKLHEEK-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)N(C)C)CC[N@H+]1C ZINC001493550463 1019511604 /nfs/dbraw/zinc/51/16/04/1019511604.db2.gz HKAAASPJKLHEEK-HZSPNIEDSA-N 1 3 312.458 0.241 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493582239 1019537381 /nfs/dbraw/zinc/53/73/81/1019537381.db2.gz ADUCDQWFNQVLBJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001493582239 1019537387 /nfs/dbraw/zinc/53/73/87/1019537387.db2.gz ADUCDQWFNQVLBJ-ZIAGYGMSSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](NCCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001493593432 1019549084 /nfs/dbraw/zinc/54/90/84/1019549084.db2.gz XYNHFGVRCLXOOS-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO Cc1nn(C)cc1CNCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001493613418 1019564461 /nfs/dbraw/zinc/56/44/61/1019564461.db2.gz PGEXPIFPYYEZSR-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)N(C)C ZINC001501940138 1019572576 /nfs/dbraw/zinc/57/25/76/1019572576.db2.gz KZGCATITVQDLAK-YOVCOIKASA-N 1 3 324.469 0.457 20 0 DCADHO CC[C@H](C(=O)NC/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1)N(C)C ZINC001501940138 1019572581 /nfs/dbraw/zinc/57/25/81/1019572581.db2.gz KZGCATITVQDLAK-YOVCOIKASA-N 1 3 324.469 0.457 20 0 DCADHO CN(CCN[C@@H]1CCNC1=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001493730692 1019666095 /nfs/dbraw/zinc/66/60/95/1019666095.db2.gz BUXVJJFBMMGISY-OAHLLOKOSA-N 1 3 318.421 0.298 20 0 DCADHO CN(CCNCC(=O)N1CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001493764112 1019692595 /nfs/dbraw/zinc/69/25/95/1019692595.db2.gz QMNTZWZVIUFRKK-UHFFFAOYSA-N 1 3 322.453 0.143 20 0 DCADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CC[C@H](C)F)C1 ZINC001502094656 1019707879 /nfs/dbraw/zinc/70/78/79/1019707879.db2.gz KWOVBFBKLWAGRK-UONOGXRCSA-N 1 3 303.422 0.892 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001499097165 1019739710 /nfs/dbraw/zinc/73/97/10/1019739710.db2.gz YAHAJWRMEMXJSJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001499097165 1019739722 /nfs/dbraw/zinc/73/97/22/1019739722.db2.gz YAHAJWRMEMXJSJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)N(C)C)C1 ZINC001494069024 1019963940 /nfs/dbraw/zinc/96/39/40/1019963940.db2.gz KBEWCIDKVQHFOP-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(CC(=O)N(C)C)C1 ZINC001494069024 1019963945 /nfs/dbraw/zinc/96/39/45/1019963945.db2.gz KBEWCIDKVQHFOP-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CN(CC[NH2+]CCCO[C@@H]1CCOC1)C(=O)[C@@H]1CCCN1C ZINC001663856081 1174362770 /nfs/dbraw/zinc/36/27/70/1174362770.db2.gz OWPKVMHUXWARCA-CABCVRRESA-N 1 3 313.442 0.324 20 0 DCADHO COC1CCN(CCNC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000080104045 545686883 /nfs/dbraw/zinc/68/68/83/545686883.db2.gz LMLDGMAKPKBZSS-ZDUSSCGKSA-N 1 3 300.447 0.737 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000342767004 291050533 /nfs/dbraw/zinc/05/05/33/291050533.db2.gz ZNXUATOBXDCKPQ-SYQHCUMBSA-N 1 3 313.442 0.750 20 0 DCADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000236878190 202048006 /nfs/dbraw/zinc/04/80/06/202048006.db2.gz NCRAKMXJWBVUOC-INIZCTEOSA-N 1 3 304.438 0.830 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236951715 202090722 /nfs/dbraw/zinc/09/07/22/202090722.db2.gz HIMDWKWKDXZAKB-HZPDHXFCSA-N 1 3 322.497 0.766 20 0 DCADHO CN1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000162588817 291243967 /nfs/dbraw/zinc/24/39/67/291243967.db2.gz WESPXUWIKXVFRG-KRWDZBQOSA-N 1 3 316.449 0.997 20 0 DCADHO C[C@H](CC(=O)NCCCN1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000165003918 291248114 /nfs/dbraw/zinc/24/81/14/291248114.db2.gz HXXUZBLDPOGDCJ-CQSZACIVSA-N 1 3 311.470 0.975 20 0 DCADHO CNC[C@H](O)C[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000566233099 291285458 /nfs/dbraw/zinc/28/54/58/291285458.db2.gz GYSALRCVYJJEDT-UGFHNGPFSA-N 1 3 316.829 0.948 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000566436014 291301053 /nfs/dbraw/zinc/30/10/53/291301053.db2.gz WSNRQAOSQILPMI-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000566436014 291301056 /nfs/dbraw/zinc/30/10/56/291301056.db2.gz WSNRQAOSQILPMI-CQSZACIVSA-N 1 3 307.442 0.905 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000566511897 291310782 /nfs/dbraw/zinc/31/07/82/291310782.db2.gz CSJKQVMZSZHMCD-OCCSQVGLSA-N 1 3 310.442 0.077 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCC1 ZINC000420084850 240015890 /nfs/dbraw/zinc/01/58/90/240015890.db2.gz AKKCLLCCTDHCQV-CQSZACIVSA-N 1 3 322.453 0.461 20 0 DCADHO C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H](CN)C1 ZINC000420330917 240022453 /nfs/dbraw/zinc/02/24/53/240022453.db2.gz ILMQTJRGNGLCFX-NXEZZACHSA-N 1 3 324.347 0.824 20 0 DCADHO C[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H](CN)C1 ZINC000420330917 240022457 /nfs/dbraw/zinc/02/24/57/240022457.db2.gz ILMQTJRGNGLCFX-NXEZZACHSA-N 1 3 324.347 0.824 20 0 DCADHO CCS(=O)(=O)NCCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333736 240023318 /nfs/dbraw/zinc/02/33/18/240023318.db2.gz IEWKWZIMJUWTBT-CQSZACIVSA-N 1 3 303.472 0.780 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)CC[NH3+] ZINC000420419708 240025073 /nfs/dbraw/zinc/02/50/73/240025073.db2.gz JHWAWIACISAIBL-SNVBAGLBSA-N 1 3 317.459 0.077 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C)C1CC1 ZINC000422304571 240147391 /nfs/dbraw/zinc/14/73/91/240147391.db2.gz YTJHJUKMIGAWDU-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C)C1CC1 ZINC000422304571 240147397 /nfs/dbraw/zinc/14/73/97/240147397.db2.gz YTJHJUKMIGAWDU-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO OCCN1CCN(CCCC[NH2+]Cc2cncc(F)c2)CC1 ZINC000494560225 241201653 /nfs/dbraw/zinc/20/16/53/241201653.db2.gz YCJQRFIIKMUQKT-UHFFFAOYSA-N 1 3 310.417 0.700 20 0 DCADHO CN(C)C(=O)c1cccc(CCNC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000567689967 291370286 /nfs/dbraw/zinc/37/02/86/291370286.db2.gz VCNWPUNRZZZWSD-QGZVFWFLSA-N 1 3 319.449 0.976 20 0 DCADHO CN(C)C(=O)c1cccc(CCNC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000567689967 291370287 /nfs/dbraw/zinc/37/02/87/291370287.db2.gz VCNWPUNRZZZWSD-QGZVFWFLSA-N 1 3 319.449 0.976 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccncc1OCCN(C)C ZINC000567822087 291380989 /nfs/dbraw/zinc/38/09/89/291380989.db2.gz WYEXMVNNOIWAHY-OLZOCXBDSA-N 1 3 323.441 0.947 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000572638859 291580888 /nfs/dbraw/zinc/58/08/88/291580888.db2.gz DNBWXWMAUJASNN-CHWSQXEVSA-N 1 3 323.441 0.947 20 0 DCADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000573936342 291664364 /nfs/dbraw/zinc/66/43/64/291664364.db2.gz ZTZAABPWJLCIFW-UHFFFAOYSA-N 1 3 306.410 0.536 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000368029447 285010399 /nfs/dbraw/zinc/01/03/99/285010399.db2.gz OLKVYIAOKLHLHH-QGZVFWFLSA-N 1 3 324.469 0.834 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000368029447 285010401 /nfs/dbraw/zinc/01/04/01/285010401.db2.gz OLKVYIAOKLHLHH-QGZVFWFLSA-N 1 3 324.469 0.834 20 0 DCADHO CN1CCC(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000339636466 253119481 /nfs/dbraw/zinc/11/94/81/253119481.db2.gz CONRRDYYOHSVHL-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339752234 253138310 /nfs/dbraw/zinc/13/83/10/253138310.db2.gz WGFBVVIZRKYMTF-HNNXBMFYSA-N 1 3 324.469 0.579 20 0 DCADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@]1(C)CCCO1 ZINC000340472470 253259339 /nfs/dbraw/zinc/25/93/39/253259339.db2.gz BURZFCVJLRWXJA-SJORKVTESA-N 1 3 313.486 0.924 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000341089767 253342311 /nfs/dbraw/zinc/34/23/11/253342311.db2.gz OPKYHRZAJGTZTA-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000341089767 253342313 /nfs/dbraw/zinc/34/23/13/253342313.db2.gz OPKYHRZAJGTZTA-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCN1C ZINC000341142647 253349089 /nfs/dbraw/zinc/34/90/89/253349089.db2.gz NQAJQWARWPQYBY-ZIAGYGMSSA-N 1 3 312.458 0.879 20 0 DCADHO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000346116495 254013103 /nfs/dbraw/zinc/01/31/03/254013103.db2.gz RJBYMUJLSHJCSH-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000346116495 254013106 /nfs/dbraw/zinc/01/31/06/254013106.db2.gz RJBYMUJLSHJCSH-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000346404902 254047500 /nfs/dbraw/zinc/04/75/00/254047500.db2.gz BNQIPDCCOMZUHA-JKSUJKDBSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CCN(CCC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000346404902 254047502 /nfs/dbraw/zinc/04/75/02/254047502.db2.gz BNQIPDCCOMZUHA-JKSUJKDBSA-N 1 3 310.486 0.813 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000347045271 254124453 /nfs/dbraw/zinc/12/44/53/254124453.db2.gz NSAKEWWEGSZCCS-MRXNPFEDSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000347970991 254206928 /nfs/dbraw/zinc/20/69/28/254206928.db2.gz QQKGOAKXQKNOII-KCQAQPDRSA-N 1 3 322.453 0.352 20 0 DCADHO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000347970991 254206929 /nfs/dbraw/zinc/20/69/29/254206929.db2.gz QQKGOAKXQKNOII-KCQAQPDRSA-N 1 3 322.453 0.352 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000347759188 254186983 /nfs/dbraw/zinc/18/69/83/254186983.db2.gz VDKSJQCFLAVCHZ-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CCN1CCN(CCC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000347759188 254186984 /nfs/dbraw/zinc/18/69/84/254186984.db2.gz VDKSJQCFLAVCHZ-INIZCTEOSA-N 1 3 310.486 0.814 20 0 DCADHO CN(C)CCOc1cccc(CNC(=O)CCOC2C[NH2+]C2)c1 ZINC000348992658 254268212 /nfs/dbraw/zinc/26/82/12/254268212.db2.gz PLJCAQTURBNWAH-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO C[NH+](C)CCOc1cccc(CNC(=O)CCOC2CNC2)c1 ZINC000348992658 254268213 /nfs/dbraw/zinc/26/82/13/254268213.db2.gz PLJCAQTURBNWAH-UHFFFAOYSA-N 1 3 321.421 0.622 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)C(C)=O ZINC000337580088 285276705 /nfs/dbraw/zinc/27/67/05/285276705.db2.gz NBDPIUVTEQEWCV-HNNXBMFYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)C(C)=O ZINC000337580088 285276710 /nfs/dbraw/zinc/27/67/10/285276710.db2.gz NBDPIUVTEQEWCV-HNNXBMFYSA-N 1 3 312.458 0.339 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)NC1 ZINC000337590404 285279464 /nfs/dbraw/zinc/27/94/64/285279464.db2.gz WTUJODUZFUNBAZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCC(=O)NC1 ZINC000337590404 285279466 /nfs/dbraw/zinc/27/94/66/285279466.db2.gz WTUJODUZFUNBAZ-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2CNCCO2)([NH+](C)C)C1 ZINC000333811746 296492981 /nfs/dbraw/zinc/49/29/81/296492981.db2.gz PRGYUFFCPBBKAT-YCPHGPKFSA-N 1 3 312.458 0.785 20 0 DCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000236655679 395896160 /nfs/dbraw/zinc/89/61/60/395896160.db2.gz QLISZARMDKQWTR-SOUVJXGZSA-N 1 3 324.469 0.467 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)CC2CC[NH2+]CC2)CC1 ZINC000236881784 395899625 /nfs/dbraw/zinc/89/96/25/395899625.db2.gz AKVBJDVCSCXICH-HNNXBMFYSA-N 1 3 310.486 0.766 20 0 DCADHO COCC[NH2+]CC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237179726 395905227 /nfs/dbraw/zinc/90/52/27/395905227.db2.gz FSBPJHSMTFJOEI-OKILXGFUSA-N 1 3 301.431 0.228 20 0 DCADHO Cc1c(C(=O)NC[C@H](C)N(C)C2CC2)nnn1C1CC[NH2+]CC1 ZINC000237327679 395910569 /nfs/dbraw/zinc/91/05/69/395910569.db2.gz TVUJZEAIOGAJCI-NSHDSACASA-N 1 3 320.441 0.724 20 0 DCADHO [NH3+]CCc1nc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cs1 ZINC000252546044 396022931 /nfs/dbraw/zinc/02/29/31/396022931.db2.gz KBKPPLVJOMYITO-QWRGUYRKSA-N 1 3 310.423 0.237 20 0 DCADHO COCCCN(C)CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000262340338 396127307 /nfs/dbraw/zinc/12/73/07/396127307.db2.gz GVMSBAZPYMLNQX-UHFFFAOYSA-N 1 3 301.431 0.087 20 0 DCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@@H]1C ZINC000263249015 396209559 /nfs/dbraw/zinc/20/95/59/396209559.db2.gz OCBXAKBODRQIHW-YDHLFZDLSA-N 1 3 312.458 0.417 20 0 DCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](N)C(C)C)C[C@@H]1C ZINC000263249015 396209561 /nfs/dbraw/zinc/20/95/61/396209561.db2.gz OCBXAKBODRQIHW-YDHLFZDLSA-N 1 3 312.458 0.417 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000279026290 396147759 /nfs/dbraw/zinc/14/77/59/396147759.db2.gz PCWKNRIGBFCYKO-STQMWFEESA-N 1 3 305.426 0.948 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CCC[NH3+])cc1 ZINC000262656925 396168944 /nfs/dbraw/zinc/16/89/44/396168944.db2.gz CYNSSWPTEQZHMG-UHFFFAOYSA-N 1 3 306.410 0.333 20 0 DCADHO N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000262661996 396170201 /nfs/dbraw/zinc/17/02/01/396170201.db2.gz GSJIHSFGDJBHSS-INIZCTEOSA-N 1 3 305.422 0.519 20 0 DCADHO C[NH2+]CCCC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000178885838 396212570 /nfs/dbraw/zinc/21/25/70/396212570.db2.gz PRQBOAVVVXSPAO-UHFFFAOYSA-N 1 3 307.442 0.806 20 0 DCADHO C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)CN1CCN(C)CC1 ZINC000178877649 396213081 /nfs/dbraw/zinc/21/30/81/396213081.db2.gz DPHAGUPOHDBYFG-CQSZACIVSA-N 1 3 304.438 0.759 20 0 DCADHO CC[NH+](CC)CCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077751724 396230935 /nfs/dbraw/zinc/23/09/35/396230935.db2.gz GSRRKPOHLGZUDB-UHFFFAOYSA-N 1 3 300.447 0.474 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C[NH+]1CCCC1 ZINC000081266344 396296215 /nfs/dbraw/zinc/29/62/15/396296215.db2.gz WDLGCBWFQCXRQR-GJZGRUSLSA-N 1 3 324.469 0.245 20 0 DCADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H]2CNCCO2)CC1 ZINC000269250398 396400288 /nfs/dbraw/zinc/40/02/88/396400288.db2.gz XNKPZVKDARBVMX-CQSZACIVSA-N 1 3 321.425 0.857 20 0 DCADHO C[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000269308608 396406330 /nfs/dbraw/zinc/40/63/30/396406330.db2.gz VCUMIKUWNOVCOZ-NVXWUHKLSA-N 1 3 318.465 0.729 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000515187034 396501259 /nfs/dbraw/zinc/50/12/59/396501259.db2.gz JRKMHNBKCGOOPF-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000582002254 396600072 /nfs/dbraw/zinc/60/00/72/396600072.db2.gz WTTBWHNGAFLNDE-LBPRGKRZSA-N 1 3 307.350 0.388 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000561267077 396637708 /nfs/dbraw/zinc/63/77/08/396637708.db2.gz CDKALYCABNONON-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1=O ZINC000595895066 396677815 /nfs/dbraw/zinc/67/78/15/396677815.db2.gz CJOGQNUUUPQSSC-KFWWJZLASA-N 1 3 323.437 0.472 20 0 DCADHO CN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H](CN)C1 ZINC000562808910 396680367 /nfs/dbraw/zinc/68/03/67/396680367.db2.gz XSLYAVLZSUBDFF-MRXNPFEDSA-N 1 3 323.485 0.678 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000562825851 396682731 /nfs/dbraw/zinc/68/27/31/396682731.db2.gz UAQFGEUQICSIIJ-KGLIPLIRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000562988727 396691501 /nfs/dbraw/zinc/69/15/01/396691501.db2.gz AYGILMPBSYCWDB-WRQOLXDDSA-N 1 3 313.486 0.919 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@@H](C)O1 ZINC000562988727 396691506 /nfs/dbraw/zinc/69/15/06/396691506.db2.gz AYGILMPBSYCWDB-WRQOLXDDSA-N 1 3 313.486 0.919 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNC2 ZINC000563115922 396704709 /nfs/dbraw/zinc/70/47/09/396704709.db2.gz TYMSKKRDBLJNBI-CQSZACIVSA-N 1 3 302.378 0.487 20 0 DCADHO CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[C@H](CN)C(F)(F)F ZINC000595994650 396705655 /nfs/dbraw/zinc/70/56/55/396705655.db2.gz ILCOMPRCCQIXBU-PSASIEDQSA-N 1 3 319.331 0.681 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629531993 396778363 /nfs/dbraw/zinc/77/83/63/396778363.db2.gz HNFRQJDOFFXLGH-KGLIPLIRSA-N 1 3 303.472 0.589 20 0 DCADHO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1=CCN(C)CC1 ZINC000563823666 396783894 /nfs/dbraw/zinc/78/38/94/396783894.db2.gz ZYTCAKMBLFGRKY-ZDUSSCGKSA-N 1 3 305.426 0.825 20 0 DCADHO CCN1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629559087 396786007 /nfs/dbraw/zinc/78/60/07/396786007.db2.gz AKDNAKICSCWKPA-SJORKVTESA-N 1 3 312.502 0.306 20 0 DCADHO CN[C@@H](C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000563410415 396730869 /nfs/dbraw/zinc/73/08/69/396730869.db2.gz FZELMQGSHKARPV-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000563440706 396736774 /nfs/dbraw/zinc/73/67/74/396736774.db2.gz JPBXCWCITJFBMV-BPNCWPANSA-N 1 3 302.378 0.090 20 0 DCADHO Cn1nccc1[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000629579155 396796788 /nfs/dbraw/zinc/79/67/88/396796788.db2.gz APVUFIXXHHNPRC-DZKIICNBSA-N 1 3 308.426 0.687 20 0 DCADHO O[C@H](C[NH2+]CCOCC(F)(F)C(F)F)CN1CCCC1 ZINC000629577419 396796832 /nfs/dbraw/zinc/79/68/32/396796832.db2.gz ZENHHVVISQXLAJ-SNVBAGLBSA-N 1 3 302.312 0.950 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000563647318 396766141 /nfs/dbraw/zinc/76/61/41/396766141.db2.gz KFJHAEGUXHHTKE-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC000634251148 396818973 /nfs/dbraw/zinc/81/89/73/396818973.db2.gz BNWHROOPHQAVPQ-GJZGRUSLSA-N 1 3 324.469 0.479 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC000634251148 396818980 /nfs/dbraw/zinc/81/89/80/396818980.db2.gz BNWHROOPHQAVPQ-GJZGRUSLSA-N 1 3 324.469 0.479 20 0 DCADHO CCN(CCN)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000629799998 396839117 /nfs/dbraw/zinc/83/91/17/396839117.db2.gz WBDGTXIIQWOKPR-CQSZACIVSA-N 1 3 310.442 0.271 20 0 DCADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332688086 396890623 /nfs/dbraw/zinc/89/06/23/396890623.db2.gz SUONQSODARHVLL-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000333472930 396926193 /nfs/dbraw/zinc/92/61/93/396926193.db2.gz DOPDCPLTAYPNIX-KBMXLJTQSA-N 1 3 322.453 0.633 20 0 DCADHO O=C(NC[C@@H]1CNCCO1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000333472930 396926194 /nfs/dbraw/zinc/92/61/94/396926194.db2.gz DOPDCPLTAYPNIX-KBMXLJTQSA-N 1 3 322.453 0.633 20 0 DCADHO C[C@H]1CN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)[C@@H](C)CN1 ZINC000333667759 396929515 /nfs/dbraw/zinc/92/95/15/396929515.db2.gz MORIUUIUWSZYCK-FXQLRMTLSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)[C@@H](C)CN1 ZINC000333667759 396929522 /nfs/dbraw/zinc/92/95/22/396929522.db2.gz MORIUUIUWSZYCK-FXQLRMTLSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333794838 396932493 /nfs/dbraw/zinc/93/24/93/396932493.db2.gz NBFNGJPQSCWBRW-KGLIPLIRSA-N 1 3 311.474 0.310 20 0 DCADHO CCC[C@H](C)NC(=O)[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000571443363 396953519 /nfs/dbraw/zinc/95/35/19/396953519.db2.gz AIWNVZUHTVMZAU-HOTGVXAUSA-N 1 3 310.486 0.908 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N(C)C1CC1 ZINC000342079445 396985907 /nfs/dbraw/zinc/98/59/07/396985907.db2.gz SMKRSVYFNIWXOZ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N(C)C1CC1 ZINC000342079445 396985912 /nfs/dbraw/zinc/98/59/12/396985912.db2.gz SMKRSVYFNIWXOZ-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO COCC[N@H+](C)C[C@@H](O)CN1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000571936834 397004728 /nfs/dbraw/zinc/00/47/28/397004728.db2.gz ICAKYRKPCPYLJW-KGLIPLIRSA-N 1 3 314.426 0.201 20 0 DCADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000571936834 397004729 /nfs/dbraw/zinc/00/47/29/397004729.db2.gz ICAKYRKPCPYLJW-KGLIPLIRSA-N 1 3 314.426 0.201 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CNC(=O)C3)CC2)CC1 ZINC000572134297 397024911 /nfs/dbraw/zinc/02/49/11/397024911.db2.gz ZDSRDXMPLULNFY-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nc(N2CCCN(C)CC2)nc(N2CCCN(C)CC2)n1 ZINC000572574195 397072883 /nfs/dbraw/zinc/07/28/83/397072883.db2.gz BGIVCZWVZGPEDG-UHFFFAOYSA-N 1 3 319.457 0.464 20 0 DCADHO Cc1nc(N2CCCN(C)CC2)nc(N2CCC[N@H+](C)CC2)n1 ZINC000572574195 397072888 /nfs/dbraw/zinc/07/28/88/397072888.db2.gz BGIVCZWVZGPEDG-UHFFFAOYSA-N 1 3 319.457 0.464 20 0 DCADHO Cc1nc(N2CCCN(C)CC2)nc(N2CCC[N@@H+](C)CC2)n1 ZINC000572574195 397072889 /nfs/dbraw/zinc/07/28/89/397072889.db2.gz BGIVCZWVZGPEDG-UHFFFAOYSA-N 1 3 319.457 0.464 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(CC)CCC[NH+](C)C)C1 ZINC000612542770 397084965 /nfs/dbraw/zinc/08/49/65/397084965.db2.gz LOTKPSJETYARBB-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000612543765 397087333 /nfs/dbraw/zinc/08/73/33/397087333.db2.gz SGIJHTXCQHTUML-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000572837053 397101014 /nfs/dbraw/zinc/10/10/14/397101014.db2.gz KYDUYRULHPPOTQ-LSDHHAIUSA-N 1 3 305.426 0.974 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000630794772 397106395 /nfs/dbraw/zinc/10/63/95/397106395.db2.gz ANQMMJLSZWLBER-CYBMUJFWSA-N 1 3 305.426 0.659 20 0 DCADHO CN(C)CCn1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000630794772 397106400 /nfs/dbraw/zinc/10/64/00/397106400.db2.gz ANQMMJLSZWLBER-CYBMUJFWSA-N 1 3 305.426 0.659 20 0 DCADHO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000592219348 397134776 /nfs/dbraw/zinc/13/47/76/397134776.db2.gz KZESRMSGDVSNAG-JKSUJKDBSA-N 1 3 310.486 0.987 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377807243 397144896 /nfs/dbraw/zinc/14/48/96/397144896.db2.gz OWANSSKOLDHGBJ-JKSUJKDBSA-N 1 3 308.470 0.376 20 0 DCADHO CSCC[C@H]([NH3+])C(=O)N(C)CCCN1CCN(C)CC1 ZINC000353668393 397148167 /nfs/dbraw/zinc/14/81/67/397148167.db2.gz NRPMCGCAENMCCF-ZDUSSCGKSA-N 1 3 302.488 0.163 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCSC1 ZINC000573553453 397179692 /nfs/dbraw/zinc/17/96/92/397179692.db2.gz PYHPQCNXWGJORU-CYBMUJFWSA-N 1 3 302.488 0.874 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])C2)CC1 ZINC000592965434 397307653 /nfs/dbraw/zinc/30/76/53/397307653.db2.gz ZPYGCEQEGKYKHW-BBWFWOEESA-N 1 3 322.497 0.988 20 0 DCADHO COCCNCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578053495 397384028 /nfs/dbraw/zinc/38/40/28/397384028.db2.gz RPHZTIDNJFKXIB-UHFFFAOYSA-N 1 3 314.474 0.984 20 0 DCADHO COCCNCCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578053495 397384031 /nfs/dbraw/zinc/38/40/31/397384031.db2.gz RPHZTIDNJFKXIB-UHFFFAOYSA-N 1 3 314.474 0.984 20 0 DCADHO C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCCC1 ZINC000577510334 397338514 /nfs/dbraw/zinc/33/85/14/397338514.db2.gz IZUWNPSSFFOLAS-QWHCGFSZSA-N 1 3 306.414 0.244 20 0 DCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCOC[C@H]1CCCO1 ZINC000577753500 397359326 /nfs/dbraw/zinc/35/93/26/397359326.db2.gz KDIURDAYDIPEPM-LSDHHAIUSA-N 1 3 313.442 0.502 20 0 DCADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)CC1 ZINC000602330651 397374044 /nfs/dbraw/zinc/37/40/44/397374044.db2.gz PIITZJDHHKBYCQ-ZBFHGGJFSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)CC1 ZINC000602330651 397374048 /nfs/dbraw/zinc/37/40/48/397374048.db2.gz PIITZJDHHKBYCQ-ZBFHGGJFSA-N 1 3 308.470 0.755 20 0 DCADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602330651 397374050 /nfs/dbraw/zinc/37/40/50/397374050.db2.gz PIITZJDHHKBYCQ-ZBFHGGJFSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])C3CCC3)C2)CC1 ZINC000577369412 397326295 /nfs/dbraw/zinc/32/62/95/397326295.db2.gz AGJKDXDURBMIKA-HZPDHXFCSA-N 1 3 308.470 0.741 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471641646 397450070 /nfs/dbraw/zinc/45/00/70/397450070.db2.gz GAZHSDNGXGUKPW-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471641646 397450074 /nfs/dbraw/zinc/45/00/74/397450074.db2.gz GAZHSDNGXGUKPW-CQSZACIVSA-N 1 3 300.447 0.596 20 0 DCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000621653407 397409854 /nfs/dbraw/zinc/40/98/54/397409854.db2.gz XOZYYYOPTVBEAY-JKSUJKDBSA-N 1 3 310.486 0.766 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494696862 397532185 /nfs/dbraw/zinc/53/21/85/397532185.db2.gz ACXPJCXBYHKIIW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000579692660 397588525 /nfs/dbraw/zinc/58/85/25/397588525.db2.gz IVQLZJYTNWQHQX-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)CC1 ZINC000579957503 397600286 /nfs/dbraw/zinc/60/02/86/397600286.db2.gz CNDAMIVYMRTQDR-DOTOQJQBSA-N 1 3 308.470 0.755 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366257659 292336119 /nfs/dbraw/zinc/33/61/19/292336119.db2.gz FVUUAJKCLXPNMS-INIZCTEOSA-N 1 3 312.458 0.692 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366257659 292336122 /nfs/dbraw/zinc/33/61/22/292336122.db2.gz FVUUAJKCLXPNMS-INIZCTEOSA-N 1 3 312.458 0.692 20 0 DCADHO CCN(CC(=O)NCC1CC[NH+](CCN(C)C)CC1)C1CC1 ZINC000152562124 287042416 /nfs/dbraw/zinc/04/24/16/287042416.db2.gz YYHKSCBROBGODT-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CCN(CC(=O)NCC1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000152562124 287042417 /nfs/dbraw/zinc/04/24/17/287042417.db2.gz YYHKSCBROBGODT-UHFFFAOYSA-N 1 3 310.486 0.861 20 0 DCADHO CCN(CCO)CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000187078443 287058612 /nfs/dbraw/zinc/05/86/12/287058612.db2.gz OOSQBQHYQJDYJC-UHFFFAOYSA-N 1 3 300.447 0.473 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](C)CCN2CCOCC2)CC1 ZINC000192732582 287059253 /nfs/dbraw/zinc/05/92/53/287059253.db2.gz VFDMUPPOBTYPKR-UHFFFAOYSA-N 1 3 312.502 0.667 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](C)CCN2CCOCC2)CC1 ZINC000192732582 287059256 /nfs/dbraw/zinc/05/92/56/287059256.db2.gz VFDMUPPOBTYPKR-UHFFFAOYSA-N 1 3 312.502 0.667 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249021716 287105369 /nfs/dbraw/zinc/10/53/69/287105369.db2.gz QSFWMMRATWBVGV-UONOGXRCSA-N 1 3 300.447 0.473 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000347058729 287159329 /nfs/dbraw/zinc/15/93/29/287159329.db2.gz XRZQKDMHYCNYAM-LSDHHAIUSA-N 1 3 314.474 0.863 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000347058729 287159333 /nfs/dbraw/zinc/15/93/33/287159333.db2.gz XRZQKDMHYCNYAM-LSDHHAIUSA-N 1 3 314.474 0.863 20 0 DCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000354963874 287173143 /nfs/dbraw/zinc/17/31/43/287173143.db2.gz WWLDNIATDDDOMO-AWEZNQCLSA-N 1 3 312.458 0.617 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418400605 287248647 /nfs/dbraw/zinc/24/86/47/287248647.db2.gz FXMDNKDSWPDTCX-UONOGXRCSA-N 1 3 300.447 0.724 20 0 DCADHO COCCNCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418561548 292561001 /nfs/dbraw/zinc/56/10/01/292561001.db2.gz QNCIPCVUFOQLEM-OAHLLOKOSA-N 1 3 312.458 0.882 20 0 DCADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419151323 287270337 /nfs/dbraw/zinc/27/03/37/287270337.db2.gz MHOGEBZAGOFFGE-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000419151323 287270339 /nfs/dbraw/zinc/27/03/39/287270339.db2.gz MHOGEBZAGOFFGE-LSDHHAIUSA-N 1 3 324.469 0.420 20 0 DCADHO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419223779 287274600 /nfs/dbraw/zinc/27/46/00/287274600.db2.gz DMCVKSWGAJXNOJ-OCCSQVGLSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)c1nccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420308578 287288673 /nfs/dbraw/zinc/28/86/73/287288673.db2.gz CVFROTYAJYRXTN-AWEZNQCLSA-N 1 3 304.442 0.664 20 0 DCADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000420303451 287287760 /nfs/dbraw/zinc/28/77/60/287287760.db2.gz NKNUIWDECALRMV-XYJFISCASA-N 1 3 317.433 0.519 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000420303451 287287761 /nfs/dbraw/zinc/28/77/61/287287761.db2.gz NKNUIWDECALRMV-XYJFISCASA-N 1 3 317.433 0.519 20 0 DCADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000420303451 287287762 /nfs/dbraw/zinc/28/77/62/287287762.db2.gz NKNUIWDECALRMV-XYJFISCASA-N 1 3 317.433 0.519 20 0 DCADHO NC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420304931 287288235 /nfs/dbraw/zinc/28/82/35/287288235.db2.gz OYVGEDKAIDAATN-ULQDDVLXSA-N 1 3 319.449 0.895 20 0 DCADHO NC(=O)CC[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420304931 287288237 /nfs/dbraw/zinc/28/82/37/287288237.db2.gz OYVGEDKAIDAATN-ULQDDVLXSA-N 1 3 319.449 0.895 20 0 DCADHO NC(=O)CC[C@@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420304931 287288240 /nfs/dbraw/zinc/28/82/40/287288240.db2.gz OYVGEDKAIDAATN-ULQDDVLXSA-N 1 3 319.449 0.895 20 0 DCADHO c1nnc2ccc(N3CCN(CC[C@@H]4CCC[NH2+]C4)CC3)nn12 ZINC000420316275 287290015 /nfs/dbraw/zinc/29/00/15/287290015.db2.gz LZIWCEVRRBNBAV-AWEZNQCLSA-N 1 3 315.425 0.636 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C ZINC000331721654 415190229 /nfs/dbraw/zinc/19/02/29/415190229.db2.gz TTYQSFXFRBCBAX-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1C ZINC000331721654 415190237 /nfs/dbraw/zinc/19/02/37/415190237.db2.gz TTYQSFXFRBCBAX-KBUPBQIOSA-N 1 3 322.453 0.328 20 0 DCADHO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000268485379 415226848 /nfs/dbraw/zinc/22/68/48/415226848.db2.gz OVDYVLUOVNFDQS-CYBMUJFWSA-N 1 3 317.389 0.329 20 0 DCADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422908038 287303491 /nfs/dbraw/zinc/30/34/91/287303491.db2.gz CUHVQHOKNYEWKQ-HZPDHXFCSA-N 1 3 304.438 0.947 20 0 DCADHO COCCN(CCOC)C1CC[NH+](CCn2ccnc2)CC1 ZINC000353021861 415411431 /nfs/dbraw/zinc/41/14/31/415411431.db2.gz KJWGXRLZZOUULX-UHFFFAOYSA-N 1 3 310.442 0.942 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)C[NH+]1CCCCC1 ZINC000343200699 415498032 /nfs/dbraw/zinc/49/80/32/415498032.db2.gz UMUZEPJQEZQHMT-JKSUJKDBSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278922267 415513504 /nfs/dbraw/zinc/51/35/04/415513504.db2.gz DGJAALYNOWSGFL-AGIUHOORSA-N 1 3 303.410 0.795 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000343312304 415550905 /nfs/dbraw/zinc/55/09/05/415550905.db2.gz PAXARITVYFUVBZ-UHFFFAOYSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333139118 415566947 /nfs/dbraw/zinc/56/69/47/415566947.db2.gz CTNBIQKAKJZZNV-CVEARBPZSA-N 1 3 323.485 0.550 20 0 DCADHO C[C@@H](NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[C@@H]1CCC[NH2+]C1 ZINC000333368055 415626608 /nfs/dbraw/zinc/62/66/08/415626608.db2.gz FBMFPPMFBHWZLJ-RJZRQDKASA-N 1 3 320.441 0.244 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343631398 415663459 /nfs/dbraw/zinc/66/34/59/415663459.db2.gz BHQXJMZUHPOROS-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343631398 415663465 /nfs/dbraw/zinc/66/34/65/415663465.db2.gz BHQXJMZUHPOROS-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000343708100 415691991 /nfs/dbraw/zinc/69/19/91/415691991.db2.gz AIFOJCQUYMGYQK-IRXDYDNUSA-N 1 3 320.481 0.853 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333642470 415702806 /nfs/dbraw/zinc/70/28/06/415702806.db2.gz IMFHLPFCODSIEO-QRNKSROTSA-N 1 3 323.485 0.595 20 0 DCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333642470 415702811 /nfs/dbraw/zinc/70/28/11/415702811.db2.gz IMFHLPFCODSIEO-QRNKSROTSA-N 1 3 323.485 0.595 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000343821358 415740557 /nfs/dbraw/zinc/74/05/57/415740557.db2.gz FTCLCVKHLAGJOR-GDBMZVCRSA-N 1 3 308.470 0.613 20 0 DCADHO CCN1CCN(CCC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000343821358 415740563 /nfs/dbraw/zinc/74/05/63/415740563.db2.gz FTCLCVKHLAGJOR-GDBMZVCRSA-N 1 3 308.470 0.613 20 0 DCADHO CO[C@H](C[NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000290137882 415766289 /nfs/dbraw/zinc/76/62/89/415766289.db2.gz MGGTYCHBQDKTPH-MRXNPFEDSA-N 1 3 320.437 0.024 20 0 DCADHO C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000333939764 415768841 /nfs/dbraw/zinc/76/88/41/415768841.db2.gz NLOYPIYDCWXFPZ-KGLIPLIRSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000333939764 415768846 /nfs/dbraw/zinc/76/88/46/415768846.db2.gz NLOYPIYDCWXFPZ-KGLIPLIRSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@@H]1C[N@H+](CCN2CCCC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000343922838 415782739 /nfs/dbraw/zinc/78/27/39/415782739.db2.gz LAHADIHCHHTREB-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO C[C@@H]1C[N@@H+](CCN2CCCC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000343922838 415782744 /nfs/dbraw/zinc/78/27/44/415782744.db2.gz LAHADIHCHHTREB-HZPDHXFCSA-N 1 3 308.470 0.567 20 0 DCADHO CCCN(C)CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000336942088 415868612 /nfs/dbraw/zinc/86/86/12/415868612.db2.gz ZBBHYZCKJZHTLV-UHFFFAOYSA-N 1 3 310.486 0.814 20 0 DCADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)C1 ZINC000356247760 415891101 /nfs/dbraw/zinc/89/11/01/415891101.db2.gz XYDUUGUKKUDLQY-WBVHZDCISA-N 1 3 306.454 0.321 20 0 DCADHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CN4CCN3CCC4)C2)C1 ZINC000356247760 415891106 /nfs/dbraw/zinc/89/11/06/415891106.db2.gz XYDUUGUKKUDLQY-WBVHZDCISA-N 1 3 306.454 0.321 20 0 DCADHO CC(C)N1CCN(CCC[N@H+](CCO)C2CCOCC2)CC1 ZINC000337417305 415956878 /nfs/dbraw/zinc/95/68/78/415956878.db2.gz OAGHYDOWBACDNB-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO CC(C)N1CCN(CCC[N@@H+](CCO)C2CCOCC2)CC1 ZINC000337417305 415956880 /nfs/dbraw/zinc/95/68/80/415956880.db2.gz OAGHYDOWBACDNB-UHFFFAOYSA-N 1 3 313.486 0.876 20 0 DCADHO CN(C)CCn1ccc(NC(=O)NCC2(C)CC[NH+](C)CC2)n1 ZINC000356604130 415960430 /nfs/dbraw/zinc/96/04/30/415960430.db2.gz DFMPLNHVWBEQAG-UHFFFAOYSA-N 1 3 322.457 1.298 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000338151558 416051132 /nfs/dbraw/zinc/05/11/32/416051132.db2.gz SZZJQZMIMVGFPF-OKILXGFUSA-N 1 3 313.442 0.500 20 0 DCADHO C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2)CN1CCN(C)CC1 ZINC000357250322 416053174 /nfs/dbraw/zinc/05/31/74/416053174.db2.gz UCKZZWKIELKRGG-NUJGCVRESA-N 1 3 322.497 0.766 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@H]2CC[NH3+])CC1=O ZINC000357361415 416066988 /nfs/dbraw/zinc/06/69/88/416066988.db2.gz KANRUDYZEXEPRD-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN(C)C)CC1=O ZINC000176372968 416126307 /nfs/dbraw/zinc/12/63/07/416126307.db2.gz KIVBWDXMTOCZLM-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCN(C)C)CC1=O ZINC000176372968 416126310 /nfs/dbraw/zinc/12/63/10/416126310.db2.gz KIVBWDXMTOCZLM-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000177870255 416153465 /nfs/dbraw/zinc/15/34/65/416153465.db2.gz BUJBEPZMFQDQSP-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000177870255 416153467 /nfs/dbraw/zinc/15/34/67/416153467.db2.gz BUJBEPZMFQDQSP-AWEZNQCLSA-N 1 3 300.447 0.548 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339634467 416161103 /nfs/dbraw/zinc/16/11/03/416161103.db2.gz WBGNBGCSZMKJOU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339634467 416161105 /nfs/dbraw/zinc/16/11/05/416161105.db2.gz WBGNBGCSZMKJOU-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000358504045 416244646 /nfs/dbraw/zinc/24/46/46/416244646.db2.gz QTDXZMHJDARTDJ-UONOGXRCSA-N 1 3 312.458 0.831 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C1CC1 ZINC000359319787 416322208 /nfs/dbraw/zinc/32/22/08/416322208.db2.gz IVHLVLKNYWCURA-IUODEOHRSA-N 1 3 322.453 0.186 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C1CC1 ZINC000359319787 416322211 /nfs/dbraw/zinc/32/22/11/416322211.db2.gz IVHLVLKNYWCURA-IUODEOHRSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000331462777 416316397 /nfs/dbraw/zinc/31/63/97/416316397.db2.gz NDPNHWJTJGAFIT-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000331474970 416318265 /nfs/dbraw/zinc/31/82/65/416318265.db2.gz WONDCXVWHZZOHP-KFWWJZLASA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000331504418 416321616 /nfs/dbraw/zinc/32/16/16/416321616.db2.gz LJERCLAJZLAFGV-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000415409159 416341434 /nfs/dbraw/zinc/34/14/34/416341434.db2.gz IAYKGLNRFFHMQW-GFCCVEGCSA-N 1 3 320.437 0.967 20 0 DCADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000415464569 416343876 /nfs/dbraw/zinc/34/38/76/416343876.db2.gz DAPHIFXOOAPRRL-OAHLLOKOSA-N 1 3 318.421 0.679 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415516471 416346383 /nfs/dbraw/zinc/34/63/83/416346383.db2.gz GMDHQCKIJNAVOA-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CCC[C@@H](C)C1 ZINC000419893116 416414742 /nfs/dbraw/zinc/41/47/42/416414742.db2.gz JVYQRDJBHVHEFC-KBXIAJHMSA-N 1 3 324.469 0.609 20 0 DCADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000416898771 416378457 /nfs/dbraw/zinc/37/84/57/416378457.db2.gz ZEKVWALHCOBUFH-OAHLLOKOSA-N 1 3 306.410 0.536 20 0 DCADHO C[C@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)CN1Cc1ccccc1 ZINC000417878956 416385068 /nfs/dbraw/zinc/38/50/68/416385068.db2.gz RCJMMMTXBOXDKK-HOCLYGCPSA-N 1 3 320.437 0.612 20 0 DCADHO COC[C@]1(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CCC[NH2+]1 ZINC000418656043 416388415 /nfs/dbraw/zinc/38/84/15/416388415.db2.gz OQJCWNQOJAABFS-SQWLQELKSA-N 1 3 312.458 0.737 20 0 DCADHO CC(C)(CNC(=O)C(=O)NC1CC[NH2+]CC1)N1CCCCC1 ZINC000418835394 416391803 /nfs/dbraw/zinc/39/18/03/416391803.db2.gz NMWNZPNAWCYFRD-UHFFFAOYSA-N 1 3 310.442 0.235 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419288226 416399053 /nfs/dbraw/zinc/39/90/53/416399053.db2.gz RLBGGKQHWJMIMS-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419501460 416402926 /nfs/dbraw/zinc/40/29/26/416402926.db2.gz BOUMWWNMQCLKBA-ZDUSSCGKSA-N 1 3 310.442 0.259 20 0 DCADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000419528538 416403319 /nfs/dbraw/zinc/40/33/19/416403319.db2.gz WILKQFMLJIKNCV-HZSPNIEDSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419528063 416403497 /nfs/dbraw/zinc/40/34/97/416403497.db2.gz VYPVAEHRIWEAEE-KGLIPLIRSA-N 1 3 312.458 0.339 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419775825 416410325 /nfs/dbraw/zinc/41/03/25/416410325.db2.gz LIERBNNCHZVHLF-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO CCCC[C@H](CN)NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419780293 416410666 /nfs/dbraw/zinc/41/06/66/416410666.db2.gz QQVGTMVTFQUSQY-CQSZACIVSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423060980 416463159 /nfs/dbraw/zinc/46/31/59/416463159.db2.gz JHYRKKHONSIXKW-LSDHHAIUSA-N 1 3 324.469 0.101 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000458445702 416469304 /nfs/dbraw/zinc/46/93/04/416469304.db2.gz VLOOCNNBMSAXGT-HUUCEWRRSA-N 1 3 324.469 0.833 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000458445702 416469309 /nfs/dbraw/zinc/46/93/09/416469309.db2.gz VLOOCNNBMSAXGT-HUUCEWRRSA-N 1 3 324.469 0.833 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423152217 416470983 /nfs/dbraw/zinc/47/09/83/416470983.db2.gz LFOPUHJNIQSNCD-ZIAGYGMSSA-N 1 3 308.426 0.023 20 0 DCADHO CC[C@@H](NCC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423171808 416474397 /nfs/dbraw/zinc/47/43/97/416474397.db2.gz QBGFESCZRAKMAO-SJORKVTESA-N 1 3 324.513 0.903 20 0 DCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422292296 416424893 /nfs/dbraw/zinc/42/48/93/416424893.db2.gz IJYYTPWUIIHDAO-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422292296 416424895 /nfs/dbraw/zinc/42/48/95/416424895.db2.gz IJYYTPWUIIHDAO-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000422485826 416433772 /nfs/dbraw/zinc/43/37/72/416433772.db2.gz FOBYAYKEPJXXQH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000422485826 416433774 /nfs/dbraw/zinc/43/37/74/416433774.db2.gz FOBYAYKEPJXXQH-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000361443510 416437430 /nfs/dbraw/zinc/43/74/30/416437430.db2.gz XLIICMAGBAVWCD-UONOGXRCSA-N 1 3 320.441 1.193 20 0 DCADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000361443510 416437433 /nfs/dbraw/zinc/43/74/33/416437433.db2.gz XLIICMAGBAVWCD-UONOGXRCSA-N 1 3 320.441 1.193 20 0 DCADHO CCCCNC(=O)CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436056256 416545758 /nfs/dbraw/zinc/54/57/58/416545758.db2.gz SMOKPJWGZORJCK-AWEZNQCLSA-N 1 3 312.458 0.612 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@H]1CN ZINC000423717957 416547163 /nfs/dbraw/zinc/54/71/63/416547163.db2.gz BLABSJWWSLUBCM-JKIFEVAISA-N 1 3 322.453 0.126 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@H]1CN ZINC000423717957 416547166 /nfs/dbraw/zinc/54/71/66/416547166.db2.gz BLABSJWWSLUBCM-JKIFEVAISA-N 1 3 322.453 0.126 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423724738 416550117 /nfs/dbraw/zinc/55/01/17/416550117.db2.gz NDQDQPMEFMJZHU-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000423740278 416553350 /nfs/dbraw/zinc/55/33/50/416553350.db2.gz SBCJFNYZLHXGRP-DZGCQCFKSA-N 1 3 324.469 0.561 20 0 DCADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000423737093 416553785 /nfs/dbraw/zinc/55/37/85/416553785.db2.gz DKUIOFZUPXTVOA-VXGBXAGGSA-N 1 3 322.375 0.505 20 0 DCADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000423737093 416553787 /nfs/dbraw/zinc/55/37/87/416553787.db2.gz DKUIOFZUPXTVOA-VXGBXAGGSA-N 1 3 322.375 0.505 20 0 DCADHO COCCN(CCN(C)C)C(=O)CCCN1CCC([NH3+])CC1 ZINC000423735975 416554319 /nfs/dbraw/zinc/55/43/19/416554319.db2.gz CNIQYHQAVZCWFD-UHFFFAOYSA-N 1 3 314.474 0.226 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000423409706 416505811 /nfs/dbraw/zinc/50/58/11/416505811.db2.gz ZAYBBQTXCQORGP-ILXRZTDVSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C)C[C@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000435061572 416509166 /nfs/dbraw/zinc/50/91/66/416509166.db2.gz QJRKWOBXBDJUFA-SNVBAGLBSA-N 1 3 324.347 0.648 20 0 DCADHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000435061572 416509169 /nfs/dbraw/zinc/50/91/69/416509169.db2.gz QJRKWOBXBDJUFA-SNVBAGLBSA-N 1 3 324.347 0.648 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423437520 416511212 /nfs/dbraw/zinc/51/12/12/416511212.db2.gz UHBAQVWWBULAQI-ARFHVFGLSA-N 1 3 310.486 0.764 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423440909 416512437 /nfs/dbraw/zinc/51/24/37/416512437.db2.gz XSNDMUDJMRVENM-JKSUJKDBSA-N 1 3 310.486 0.908 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423437522 416512621 /nfs/dbraw/zinc/51/26/21/416512621.db2.gz UHBAQVWWBULAQI-OAGGEKHMSA-N 1 3 310.486 0.764 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423760624 416561525 /nfs/dbraw/zinc/56/15/25/416561525.db2.gz QKXHEJXEHODURI-JKSUJKDBSA-N 1 3 310.486 0.990 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000364852501 416594867 /nfs/dbraw/zinc/59/48/67/416594867.db2.gz VKUXURMDPUVNSD-HOTGVXAUSA-N 1 3 308.470 0.755 20 0 DCADHO O=C(CCOC1CNC1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423981811 416598835 /nfs/dbraw/zinc/59/88/35/416598835.db2.gz XURKSBYTZVIWPI-UHFFFAOYSA-N 1 3 310.423 0.927 20 0 DCADHO O=C(CCOC1CNC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000423901524 416586446 /nfs/dbraw/zinc/58/64/46/416586446.db2.gz KTAGLXCZNNZVSA-XJKSGUPXSA-N 1 3 307.438 0.840 20 0 DCADHO O=C(CCOC1CNC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000423901524 416586450 /nfs/dbraw/zinc/58/64/50/416586450.db2.gz KTAGLXCZNNZVSA-XJKSGUPXSA-N 1 3 307.438 0.840 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424223525 416629781 /nfs/dbraw/zinc/62/97/81/416629781.db2.gz HUCJNNSTCLGVGC-ZNMIVQPWSA-N 1 3 305.426 0.548 20 0 DCADHO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424284145 416635933 /nfs/dbraw/zinc/63/59/33/416635933.db2.gz CTQNLMBJHDOXBC-MCIONIFRSA-N 1 3 311.426 0.790 20 0 DCADHO CC(C)N1CCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000514732482 416672730 /nfs/dbraw/zinc/67/27/30/416672730.db2.gz KAGIZDHAXBORMQ-CQSZACIVSA-N 1 3 320.441 0.586 20 0 DCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccncc2)CC1 ZINC000641247780 416750013 /nfs/dbraw/zinc/75/00/13/416750013.db2.gz BBIHQWOVMAMBNK-DZGCQCFKSA-N 1 3 303.410 0.911 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000516875448 416750912 /nfs/dbraw/zinc/75/09/12/416750912.db2.gz QNLRHJCHDXEDES-IRXDYDNUSA-N 1 3 312.502 0.399 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000516875448 416750915 /nfs/dbraw/zinc/75/09/15/416750915.db2.gz QNLRHJCHDXEDES-IRXDYDNUSA-N 1 3 312.502 0.399 20 0 DCADHO CC(C)[C@@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCN1C ZINC000514983688 416687674 /nfs/dbraw/zinc/68/76/74/416687674.db2.gz FMKGUPCZTMAMJL-GJZGRUSLSA-N 1 3 324.469 0.338 20 0 DCADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)NC1CNC1 ZINC000515615791 416705199 /nfs/dbraw/zinc/70/51/99/416705199.db2.gz RUSCKEPSPGRBIX-UHFFFAOYSA-N 1 3 316.405 0.351 20 0 DCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)NC(=O)NCC(F)(F)F ZINC000442759057 416712665 /nfs/dbraw/zinc/71/26/65/416712665.db2.gz JZFBSODKDQQYFT-BDAKNGLRSA-N 1 3 310.320 0.434 20 0 DCADHO CN(C)C1(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557069033 416725502 /nfs/dbraw/zinc/72/55/02/416725502.db2.gz VZIKSYPAWIBEAE-SFHVURJKSA-N 1 3 317.433 0.834 20 0 DCADHO CN(C)C1(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557069033 416725504 /nfs/dbraw/zinc/72/55/04/416725504.db2.gz VZIKSYPAWIBEAE-SFHVURJKSA-N 1 3 317.433 0.834 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(COCC[NH3+])nn1 ZINC000641215405 416738396 /nfs/dbraw/zinc/73/83/96/416738396.db2.gz ULMNGYMFTNGXBJ-MRXNPFEDSA-N 1 3 319.409 0.246 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000369583751 416801261 /nfs/dbraw/zinc/80/12/61/416801261.db2.gz VHUYHHJZKMIPSB-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO COCCN(C)CCCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000369583751 416801269 /nfs/dbraw/zinc/80/12/69/416801269.db2.gz VHUYHHJZKMIPSB-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO [NH3+]CCCCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000519148841 416893788 /nfs/dbraw/zinc/89/37/88/416893788.db2.gz SQETXDNFRTVQRP-UHFFFAOYSA-N 1 3 319.453 0.839 20 0 DCADHO CN(C(=O)CCc1cnc[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373502989 416956769 /nfs/dbraw/zinc/95/67/69/416956769.db2.gz PVKQUEIUKXSYCO-INIZCTEOSA-N 1 3 319.453 0.969 20 0 DCADHO CN(C(=O)CCc1cnc[nH]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373502989 416956775 /nfs/dbraw/zinc/95/67/75/416956775.db2.gz PVKQUEIUKXSYCO-INIZCTEOSA-N 1 3 319.453 0.969 20 0 DCADHO Cc1nc(C)n(C[C@@H]2CN(C[C@@H]3CC[NH2+][C@H](C)C3)CCO2)n1 ZINC000519349674 416902187 /nfs/dbraw/zinc/90/21/87/416902187.db2.gz RORNQBVPWOXPQY-WQVCFCJDSA-N 1 3 307.442 0.984 20 0 DCADHO CCN1CC[C@@H](N(C)C(=O)c2cn(CCC[NH3+])nn2)C[C@H]1C ZINC000565040737 416915140 /nfs/dbraw/zinc/91/51/40/416915140.db2.gz WBUZCTAANURJRB-CHWSQXEVSA-N 1 3 308.430 0.572 20 0 DCADHO CN(C)CCN(C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000642001003 417021909 /nfs/dbraw/zinc/02/19/09/417021909.db2.gz SARUKYMDPUWQJI-HNNXBMFYSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C)(CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1CCCCC1 ZINC000642084335 417027513 /nfs/dbraw/zinc/02/75/13/417027513.db2.gz CDZIWLUPAOIITB-AWEZNQCLSA-N 1 3 324.469 0.625 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642114164 417028618 /nfs/dbraw/zinc/02/86/18/417028618.db2.gz IRNVTYRIQZIWBU-MJBXVCDLSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1C[C@H](CN2CCN(c3ccc4nncn4n3)CC2)CC[NH2+]1 ZINC000521833503 417030414 /nfs/dbraw/zinc/03/04/14/417030414.db2.gz LQQWYRSCLINMTO-ZIAGYGMSSA-N 1 3 315.425 0.634 20 0 DCADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)COC2CNC2)cc1 ZINC000431046635 417098376 /nfs/dbraw/zinc/09/83/76/417098376.db2.gz VJTHOANQLGIKSY-UHFFFAOYSA-N 1 3 320.393 0.504 20 0 DCADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000642785730 417101000 /nfs/dbraw/zinc/10/10/00/417101000.db2.gz FRKZSAKGRHFLJW-HUUCEWRRSA-N 1 3 322.453 0.221 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642439645 417053226 /nfs/dbraw/zinc/05/32/26/417053226.db2.gz MVCHWGVVBJHDKN-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000642431189 417053837 /nfs/dbraw/zinc/05/38/37/417053837.db2.gz QJGMHFASASMFON-GJZGRUSLSA-N 1 3 324.469 0.564 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000642440210 417054513 /nfs/dbraw/zinc/05/45/13/417054513.db2.gz ZKHKDTSFLOZHAP-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO O=C(COC1CNC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000431050765 417104439 /nfs/dbraw/zinc/10/44/39/417104439.db2.gz MYXYSQWBCDVQGC-INIZCTEOSA-N 1 3 317.433 0.656 20 0 DCADHO O=C(COC1CNC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000431050765 417104447 /nfs/dbraw/zinc/10/44/47/417104447.db2.gz MYXYSQWBCDVQGC-INIZCTEOSA-N 1 3 317.433 0.656 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000642909371 417119836 /nfs/dbraw/zinc/11/98/36/417119836.db2.gz LOSBQAIEKQFVLH-GFCCVEGCSA-N 1 3 324.400 0.179 20 0 DCADHO CN1C[C@@H]2CCCN(S(=O)(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC000632484165 417122693 /nfs/dbraw/zinc/12/26/93/417122693.db2.gz ZJSPRDVIDNZASZ-LSDHHAIUSA-N 1 3 315.483 0.828 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000642921165 417126792 /nfs/dbraw/zinc/12/67/92/417126792.db2.gz ABZGETCBUGKKMC-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000637532739 417133330 /nfs/dbraw/zinc/13/33/30/417133330.db2.gz KZPIHINAIIWXQC-LSDHHAIUSA-N 1 3 310.442 0.321 20 0 DCADHO CN1CCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000637532739 417133336 /nfs/dbraw/zinc/13/33/36/417133336.db2.gz KZPIHINAIIWXQC-LSDHHAIUSA-N 1 3 310.442 0.321 20 0 DCADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000642990334 417139966 /nfs/dbraw/zinc/13/99/66/417139966.db2.gz ACHWXNVLFQJVQC-KGLIPLIRSA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643513922 417229219 /nfs/dbraw/zinc/22/92/19/417229219.db2.gz NVAIKGDUPUMTON-PBHICJAKSA-N 1 3 322.453 0.141 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000568746336 417171533 /nfs/dbraw/zinc/17/15/33/417171533.db2.gz PNOXOQZBSFODJC-HNNXBMFYSA-N 1 3 308.470 0.472 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000410808786 417179831 /nfs/dbraw/zinc/17/98/31/417179831.db2.gz LLMHYCHQKWZGOD-CQSZACIVSA-N 1 3 312.458 0.339 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643513864 417230006 /nfs/dbraw/zinc/23/00/06/417230006.db2.gz ATWCDRWKJGQWIL-KFWWJZLASA-N 1 3 322.453 0.140 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637863231 417209982 /nfs/dbraw/zinc/20/99/82/417209982.db2.gz WESYFGQAIUXKKB-CVEARBPZSA-N 1 3 304.438 0.656 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000637863232 417211306 /nfs/dbraw/zinc/21/13/06/417211306.db2.gz WESYFGQAIUXKKB-HOTGVXAUSA-N 1 3 304.438 0.656 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C[C@H]2N)cn1 ZINC000569102094 417214309 /nfs/dbraw/zinc/21/43/09/417214309.db2.gz KODBTZQLEUXYMY-HRCADAONSA-N 1 3 319.453 0.938 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)CC[C@@H]3CCCC[N@H+]3C)C[C@H]2N)cn1 ZINC000569102094 417214316 /nfs/dbraw/zinc/21/43/16/417214316.db2.gz KODBTZQLEUXYMY-HRCADAONSA-N 1 3 319.453 0.938 20 0 DCADHO CCN(CC)C(=O)CN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414685162 417296820 /nfs/dbraw/zinc/29/68/20/417296820.db2.gz YFQPIQIIJHCKPL-HZPDHXFCSA-N 1 3 310.486 0.861 20 0 DCADHO C[C@@H]1C[C@@H](CN2CCN(c3ncccc3C(N)=O)CC2)CC[NH2+]1 ZINC000414674199 417297052 /nfs/dbraw/zinc/29/70/52/417297052.db2.gz KKLOUVHATOODSM-KGLIPLIRSA-N 1 3 317.437 0.691 20 0 DCADHO CCN(CC)C(=O)CN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414685159 417294959 /nfs/dbraw/zinc/29/49/59/417294959.db2.gz YFQPIQIIJHCKPL-CVEARBPZSA-N 1 3 310.486 0.861 20 0 DCADHO Cc1ccc(C[N@H+](CCO)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713951 417295250 /nfs/dbraw/zinc/29/52/50/417295250.db2.gz PPALAEYJCQKPDC-QGZVFWFLSA-N 1 3 319.449 0.987 20 0 DCADHO Cc1ccc(C[N@@H+](CCO)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414713951 417295253 /nfs/dbraw/zinc/29/52/53/417295253.db2.gz PPALAEYJCQKPDC-QGZVFWFLSA-N 1 3 319.449 0.987 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)CCCN2CCC([NH3+])CC2)CN1C1CC1 ZINC000433153953 417234289 /nfs/dbraw/zinc/23/42/89/417234289.db2.gz RPPPOAXEQNQQHQ-HIFRSBDPSA-N 1 3 308.470 0.931 20 0 DCADHO CC(C)[C@H]1CNCCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627117871 417240035 /nfs/dbraw/zinc/24/00/35/417240035.db2.gz YEYKKFXGERWVAK-HZPDHXFCSA-N 1 3 324.469 0.879 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000643571229 417247034 /nfs/dbraw/zinc/24/70/34/417247034.db2.gz WELAATBHXUITQS-UONOGXRCSA-N 1 3 310.442 0.315 20 0 DCADHO CC[NH+]1CCN([C@@H](C)CNC(=O)c2conc2C(C)(C)N)CC1 ZINC000569470550 417259126 /nfs/dbraw/zinc/25/91/26/417259126.db2.gz CFXLDNKIRHJEDQ-LBPRGKRZSA-N 1 3 323.441 0.624 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433375529 417259104 /nfs/dbraw/zinc/25/91/04/417259104.db2.gz LOLGTHLHPJSHDE-UONOGXRCSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C[NH+](C)C ZINC000415269965 417349386 /nfs/dbraw/zinc/34/93/86/417349386.db2.gz PCSPGASNXVGUHS-LBPRGKRZSA-N 1 3 318.421 0.585 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCN(C4CC4)C3)C[C@H]2[NH3+])cn1 ZINC000570390487 417349801 /nfs/dbraw/zinc/34/98/01/417349801.db2.gz CSZKSCBIIGKBNC-VHDGCEQUSA-N 1 3 318.425 0.093 20 0 DCADHO C[C@@H](C[NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638145252 417352805 /nfs/dbraw/zinc/35/28/05/417352805.db2.gz QIMSPIVZYKMFDX-NSHDSACASA-N 1 3 319.409 0.628 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCO)Cc2cccc(F)c2)C1 ZINC000414754959 417302863 /nfs/dbraw/zinc/30/28/63/417302863.db2.gz GVFQAZBPGNVPNC-HNNXBMFYSA-N 1 3 323.412 0.817 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCO)Cc2cccc(F)c2)C1 ZINC000414754959 417302873 /nfs/dbraw/zinc/30/28/73/417302873.db2.gz GVFQAZBPGNVPNC-HNNXBMFYSA-N 1 3 323.412 0.817 20 0 DCADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c1 ZINC000414761218 417303161 /nfs/dbraw/zinc/30/31/61/417303161.db2.gz IHLWYGVORXBQLH-LBPRGKRZSA-N 1 3 306.410 0.801 20 0 DCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638073740 417311529 /nfs/dbraw/zinc/31/15/29/417311529.db2.gz XAQMNMXJWASZHA-SJORKVTESA-N 1 3 318.465 0.904 20 0 DCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638073740 417311534 /nfs/dbraw/zinc/31/15/34/417311534.db2.gz XAQMNMXJWASZHA-SJORKVTESA-N 1 3 318.465 0.904 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000638076583 417313838 /nfs/dbraw/zinc/31/38/38/417313838.db2.gz LWCBMALZFWUGIB-IRXDYDNUSA-N 1 3 318.465 0.902 20 0 DCADHO CCN(CCNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1)C1CC1 ZINC000414888161 417314768 /nfs/dbraw/zinc/31/47/68/417314768.db2.gz XSOXJJLADPZLLI-UHFFFAOYSA-N 1 3 318.421 0.945 20 0 DCADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414916909 417314974 /nfs/dbraw/zinc/31/49/74/417314974.db2.gz UKFOVUPJRGZEES-AWEZNQCLSA-N 1 3 304.394 0.636 20 0 DCADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638085430 417320953 /nfs/dbraw/zinc/32/09/53/417320953.db2.gz ZDJPFYDNIHCQPU-DOTOQJQBSA-N 1 3 316.449 0.843 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000570216191 417328046 /nfs/dbraw/zinc/32/80/46/417328046.db2.gz PPMVLULNLSAIMS-WKILWMFISA-N 1 3 310.486 0.895 20 0 DCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000415206822 417340237 /nfs/dbraw/zinc/34/02/37/417340237.db2.gz BUVCATUDBUKOPN-CHWSQXEVSA-N 1 3 308.430 1.178 20 0 DCADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000638242753 417389931 /nfs/dbraw/zinc/38/99/31/417389931.db2.gz SMFAZKUGIJHBCF-BBRMVZONSA-N 1 3 305.378 0.874 20 0 DCADHO COC[C@]1(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCCN1 ZINC000638264557 417395168 /nfs/dbraw/zinc/39/51/68/417395168.db2.gz YFFXWABQOYDOKB-VYDXJSESSA-N 1 3 309.454 0.993 20 0 DCADHO CN(C)CCN(Cc1cccs1)C(=O)CN1CC[NH2+]CC1 ZINC000638285102 417407523 /nfs/dbraw/zinc/40/75/23/417407523.db2.gz UOWLGWOUBUTMIL-UHFFFAOYSA-N 1 3 310.467 0.544 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638287749 417408823 /nfs/dbraw/zinc/40/88/23/417408823.db2.gz XDYYLERYHKLION-SYAUCNOPSA-N 1 3 303.406 0.739 20 0 DCADHO O=C(CN1CCNCC1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000638333338 417424585 /nfs/dbraw/zinc/42/45/85/417424585.db2.gz PTQQOTBWSKXMSS-UHFFFAOYSA-N 1 3 309.439 0.454 20 0 DCADHO Cc1cncn1CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000638335421 417426311 /nfs/dbraw/zinc/42/63/11/417426311.db2.gz JRLPXNDDBAFDBO-UHFFFAOYSA-N 1 3 305.426 0.524 20 0 DCADHO C[N@H+](CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)CC(C)(C)C ZINC000638344771 417428333 /nfs/dbraw/zinc/42/83/33/417428333.db2.gz XYQUJBKSZLLVJG-AWEZNQCLSA-N 1 3 322.457 0.878 20 0 DCADHO C[N@@H+](CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)CC(C)(C)C ZINC000638344771 417428341 /nfs/dbraw/zinc/42/83/41/417428341.db2.gz XYQUJBKSZLLVJG-AWEZNQCLSA-N 1 3 322.457 0.878 20 0 DCADHO CN1CCC(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529285249 417430775 /nfs/dbraw/zinc/43/07/75/417430775.db2.gz VMGHETADAQKABC-MRXNPFEDSA-N 1 3 324.469 0.881 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622026243 417371044 /nfs/dbraw/zinc/37/10/44/417371044.db2.gz HNVLECOLKGNMTG-PBHICJAKSA-N 1 3 322.453 0.269 20 0 DCADHO CCN(CCN)C(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000627357492 417371616 /nfs/dbraw/zinc/37/16/16/417371616.db2.gz HTWOVKWVTXFCDN-KBPBESRZSA-N 1 3 312.458 0.278 20 0 DCADHO CO[C@H](CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCOC1 ZINC000638571646 417491607 /nfs/dbraw/zinc/49/16/07/417491607.db2.gz OCARPOCAZRQGNY-QLFBSQMISA-N 1 3 313.442 0.215 20 0 DCADHO CO[C@H](CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCOC1 ZINC000638571646 417491613 /nfs/dbraw/zinc/49/16/13/417491613.db2.gz OCARPOCAZRQGNY-QLFBSQMISA-N 1 3 313.442 0.215 20 0 DCADHO C[NH2+]CCOCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000638578237 417493904 /nfs/dbraw/zinc/49/39/04/417493904.db2.gz LLQVDAQIKNBHRV-MRXNPFEDSA-N 1 3 320.437 0.646 20 0 DCADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638418180 417451581 /nfs/dbraw/zinc/45/15/81/417451581.db2.gz NWBXLWTVAGEDRQ-ISXOHVOVSA-N 1 3 302.422 0.395 20 0 DCADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507287 417477424 /nfs/dbraw/zinc/47/74/24/417477424.db2.gz CHNZTZNZHJOSEE-APNQJHFZSA-N 1 3 307.438 0.920 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000638525670 417482913 /nfs/dbraw/zinc/48/29/13/417482913.db2.gz AIZUZRTULSYQIG-UHFFFAOYSA-N 1 3 304.394 0.798 20 0 DCADHO [NH3+]C[C@@]1(C(=O)Nc2ccc3c(c2)OCCNC3)CCCOC1 ZINC000638673640 417529848 /nfs/dbraw/zinc/52/98/48/417529848.db2.gz MGDXWULNRKRTDB-INIZCTEOSA-N 1 3 305.378 0.863 20 0 DCADHO CN(C)Cc1cccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000623066914 417537266 /nfs/dbraw/zinc/53/72/66/417537266.db2.gz SYUMSAJWFSAFNI-HNNXBMFYSA-N 1 3 305.426 0.855 20 0 DCADHO [NH3+]Cc1ccc2c(c1)N(C(=O)CNC[C@@H]1CCCO1)CCO2 ZINC000638803571 417562770 /nfs/dbraw/zinc/56/27/70/417562770.db2.gz NUGDVXQQMZCMIS-ZDUSSCGKSA-N 1 3 305.378 0.639 20 0 DCADHO COCCOCCN(C)CCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638638643 417523663 /nfs/dbraw/zinc/52/36/63/417523663.db2.gz FLTGFOLOZXOWIR-UONOGXRCSA-N 1 3 301.431 0.228 20 0 DCADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000576089852 417578611 /nfs/dbraw/zinc/57/86/11/417578611.db2.gz WFBOEIJIYCVRKQ-HNNXBMFYSA-N 1 3 316.405 0.781 20 0 DCADHO CC(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000530880715 417595720 /nfs/dbraw/zinc/59/57/20/417595720.db2.gz CROBCZWVDXMWQN-HNNXBMFYSA-N 1 3 312.458 0.197 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638983437 417596607 /nfs/dbraw/zinc/59/66/07/417596607.db2.gz ACRIBKIKEIOFQR-KBPBESRZSA-N 1 3 303.410 0.818 20 0 DCADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638985627 417597414 /nfs/dbraw/zinc/59/74/14/417597414.db2.gz MLWDWXSWSVDWHV-GJZGRUSLSA-N 1 3 315.421 0.960 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000576396988 417605245 /nfs/dbraw/zinc/60/52/45/417605245.db2.gz QBJDGUDNQVKCNK-RDBSUJKOSA-N 1 3 310.442 0.043 20 0 DCADHO OCCN(CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000628369353 417610467 /nfs/dbraw/zinc/61/04/67/417610467.db2.gz JXEAVMCIHOXACQ-UHFFFAOYSA-N 1 3 308.422 0.948 20 0 DCADHO CC(C)(O)C[NH+]1CCC(NCCN2CCSCC2)CC1 ZINC000638867522 417573430 /nfs/dbraw/zinc/57/34/30/417573430.db2.gz SQQPHPORRTUZTR-UHFFFAOYSA-N 1 3 301.500 0.860 20 0 DCADHO CCN1CCN(C[C@@H](C)C[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000644562979 417619096 /nfs/dbraw/zinc/61/90/96/417619096.db2.gz JJWJFQOCFPIRHR-RDJZCZTQSA-N 1 3 312.502 0.305 20 0 DCADHO CC(C)(C)[C@H](O)C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000644601998 417629814 /nfs/dbraw/zinc/62/98/14/417629814.db2.gz ANDOKKMYZKSBJI-OAHLLOKOSA-N 1 3 301.475 0.373 20 0 DCADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC000531832234 417645132 /nfs/dbraw/zinc/64/51/32/417645132.db2.gz DVUWOXURLJWTPQ-CVEARBPZSA-N 1 3 308.470 0.708 20 0 DCADHO CN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000577003996 417653124 /nfs/dbraw/zinc/65/31/24/417653124.db2.gz DFXNHFKETQFZJM-GXTWGEPZSA-N 1 3 318.421 0.930 20 0 DCADHO CN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000577003996 417653131 /nfs/dbraw/zinc/65/31/31/417653131.db2.gz DFXNHFKETQFZJM-GXTWGEPZSA-N 1 3 318.421 0.930 20 0 DCADHO CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000577076795 417661592 /nfs/dbraw/zinc/66/15/92/417661592.db2.gz LIAMYVGHLLVOOW-MGPQQGTHSA-N 1 3 318.487 0.507 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639875807 417760306 /nfs/dbraw/zinc/76/03/06/417760306.db2.gz BBYDLNUQLBBYLD-HZPDHXFCSA-N 1 3 313.486 0.874 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639875807 417760309 /nfs/dbraw/zinc/76/03/09/417760309.db2.gz BBYDLNUQLBBYLD-HZPDHXFCSA-N 1 3 313.486 0.874 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000580660414 417721093 /nfs/dbraw/zinc/72/10/93/417721093.db2.gz ZOFDAHVDMUSJER-UHFFFAOYSA-N 1 3 310.442 0.187 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000635663553 417734860 /nfs/dbraw/zinc/73/48/60/417734860.db2.gz HEHQDMWIWMZAAJ-RRFJBIMHSA-N 1 3 313.442 0.323 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635704691 417743471 /nfs/dbraw/zinc/74/34/71/417743471.db2.gz XFBPDEPNMNZHCQ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635704691 417743474 /nfs/dbraw/zinc/74/34/74/417743474.db2.gz XFBPDEPNMNZHCQ-GJZGRUSLSA-N 1 3 322.453 0.093 20 0 DCADHO Cc1c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662619560 417823621 /nfs/dbraw/zinc/82/36/21/417823621.db2.gz MMZIWLNYZONOLB-CHWSQXEVSA-N 1 3 320.441 0.724 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000645958646 417829915 /nfs/dbraw/zinc/82/99/15/417829915.db2.gz ZEWSHKZQUMIDAF-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645958586 417830665 /nfs/dbraw/zinc/83/06/65/417830665.db2.gz FYLQLNCPAZQHFW-AWEZNQCLSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccnc(CN)c3)C2)CC1 ZINC000645977474 417836978 /nfs/dbraw/zinc/83/69/78/417836978.db2.gz ATPVIIAYOSNDAV-CQSZACIVSA-N 1 3 317.437 0.439 20 0 DCADHO O=C(c1ccc2c(c1)CNC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000646351337 417838421 /nfs/dbraw/zinc/83/84/21/417838421.db2.gz KXGUYXAKSMBAIL-MRXNPFEDSA-N 1 3 300.406 0.410 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652154928 417854218 /nfs/dbraw/zinc/85/42/18/417854218.db2.gz RXDOFYUTPFKMCV-CQSZACIVSA-N 1 3 324.400 0.804 20 0 DCADHO CCCN1CC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000662703474 417860117 /nfs/dbraw/zinc/86/01/17/417860117.db2.gz KHAQPTQYJMAGCY-CHWSQXEVSA-N 1 3 306.414 0.417 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274326 417876751 /nfs/dbraw/zinc/87/67/51/417876751.db2.gz KQUDGCHMIWGWJO-OAHLLOKOSA-N 1 3 310.373 0.150 20 0 DCADHO C[NH2+]Cc1ccccc1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000652291793 417879331 /nfs/dbraw/zinc/87/93/31/417879331.db2.gz IDYSINNEHWTERS-HNNXBMFYSA-N 1 3 305.426 0.190 20 0 DCADHO CN1CCN(CCCCNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662756002 417892050 /nfs/dbraw/zinc/89/20/50/417892050.db2.gz GOXMBSCXUAIZCE-UHFFFAOYSA-N 1 3 308.470 0.805 20 0 DCADHO CN(C)[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])Cc1ccccc1 ZINC000662662542 417841453 /nfs/dbraw/zinc/84/14/53/417841453.db2.gz GJJQQWMUOIARFV-XHSDSOJGSA-N 1 3 305.422 0.639 20 0 DCADHO NC1(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000663013739 417977258 /nfs/dbraw/zinc/97/72/58/417977258.db2.gz GVMYAAJIVJZXQA-LBPRGKRZSA-N 1 3 318.425 0.017 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)C3([NH3+])CC4(CCC4)C3)C2)nn1 ZINC000662813865 417914229 /nfs/dbraw/zinc/91/42/29/417914229.db2.gz MXYBXWRKVWGPLQ-ZDUSSCGKSA-N 1 3 318.425 0.562 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652682177 417942221 /nfs/dbraw/zinc/94/22/21/417942221.db2.gz DBHXUHXCXVZCPR-AWEZNQCLSA-N 1 3 324.469 0.340 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000652695560 417946258 /nfs/dbraw/zinc/94/62/58/417946258.db2.gz WOBVWCVFKFGMGT-UHFFFAOYSA-N 1 3 310.442 0.189 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000652696580 417947662 /nfs/dbraw/zinc/94/76/62/417947662.db2.gz NBUVTWCNISUCFF-ZIAGYGMSSA-N 1 3 310.442 0.317 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000640955538 417950522 /nfs/dbraw/zinc/95/05/22/417950522.db2.gz WDDOLZIYAMSTDB-OAGGEKHMSA-N 1 3 323.485 0.406 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000652723687 417957046 /nfs/dbraw/zinc/95/70/46/417957046.db2.gz INXNATHTCPHIMJ-HNNXBMFYSA-N 1 3 322.453 0.189 20 0 DCADHO CCN1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663454782 418021093 /nfs/dbraw/zinc/02/10/93/418021093.db2.gz SWRQYINXKOYTAP-MRXNPFEDSA-N 1 3 324.469 0.711 20 0 DCADHO CCN1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663454782 418021096 /nfs/dbraw/zinc/02/10/96/418021096.db2.gz SWRQYINXKOYTAP-MRXNPFEDSA-N 1 3 324.469 0.711 20 0 DCADHO CC(C(=O)NC[C@@H]1CCCC[NH2+]1)S(=O)(=O)C1CCOCC1 ZINC000647577432 418026838 /nfs/dbraw/zinc/02/68/38/418026838.db2.gz FGWFKBWDRPDEJA-RYUDHWBXSA-N 1 3 318.439 0.227 20 0 DCADHO CN(CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)Cc1ccccc1 ZINC000653106547 418026906 /nfs/dbraw/zinc/02/69/06/418026906.db2.gz CIFZVHPHAWCCFL-WMZOPIPTSA-N 1 3 317.433 0.861 20 0 DCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000647597337 418031474 /nfs/dbraw/zinc/03/14/74/418031474.db2.gz FFWSTBBJWMDDBU-CHWSQXEVSA-N 1 3 310.442 0.315 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000647597223 418031570 /nfs/dbraw/zinc/03/15/70/418031570.db2.gz VXAMDZIXBBUTBR-OLZOCXBDSA-N 1 3 324.425 0.412 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000647597340 418031944 /nfs/dbraw/zinc/03/19/44/418031944.db2.gz FFWSTBBJWMDDBU-STQMWFEESA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)c2ccccc2O1 ZINC000653124428 418032038 /nfs/dbraw/zinc/03/20/38/418032038.db2.gz YNUMEICVERROAA-KBPBESRZSA-N 1 3 320.437 0.621 20 0 DCADHO CN1CCN(CCCCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653125151 418033471 /nfs/dbraw/zinc/03/34/71/418033471.db2.gz UGUUIEJWRUMCOF-JKSUJKDBSA-N 1 3 308.470 0.661 20 0 DCADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653124918 418033945 /nfs/dbraw/zinc/03/39/45/418033945.db2.gz MCEXZEPJIFNXRJ-FVQBIDKESA-N 1 3 308.470 0.659 20 0 DCADHO C[C@H](C[NH3+])NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659530865 418113025 /nfs/dbraw/zinc/11/30/25/418113025.db2.gz MQFVYFNRJUHYGZ-DOMZBBRYSA-N 1 3 306.410 0.400 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659538194 418114188 /nfs/dbraw/zinc/11/41/88/418114188.db2.gz OAIBKQROPFONTF-IUODEOHRSA-N 1 3 306.410 0.400 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659538770 418114356 /nfs/dbraw/zinc/11/43/56/418114356.db2.gz MFILBAQJKRDMAF-MRXNPFEDSA-N 1 3 322.453 0.849 20 0 DCADHO CN(CCN1CCCCC1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000653274274 418051200 /nfs/dbraw/zinc/05/12/00/418051200.db2.gz BTTIENVWXWDVBX-AWEZNQCLSA-N 1 3 320.441 0.588 20 0 DCADHO CN1CCC[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000663775245 418056451 /nfs/dbraw/zinc/05/64/51/418056451.db2.gz FYHYWFJWXYOBPU-CABCVRRESA-N 1 3 312.458 0.833 20 0 DCADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659097219 418058247 /nfs/dbraw/zinc/05/82/47/418058247.db2.gz VIXOJNFOBKYKQD-UHFFFAOYSA-N 1 3 306.410 0.882 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000659102284 418060589 /nfs/dbraw/zinc/06/05/89/418060589.db2.gz BYATYKCUWOPVNP-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000659114389 418063739 /nfs/dbraw/zinc/06/37/39/418063739.db2.gz NVEXUYHSJJIEKA-LLVKDONJSA-N 1 3 322.409 0.419 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664003334 418074632 /nfs/dbraw/zinc/07/46/32/418074632.db2.gz QBXDNROATNRQMX-KKUMJFAQSA-N 1 3 312.458 0.423 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000664003334 418074636 /nfs/dbraw/zinc/07/46/36/418074636.db2.gz QBXDNROATNRQMX-KKUMJFAQSA-N 1 3 312.458 0.423 20 0 DCADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664031037 418078417 /nfs/dbraw/zinc/07/84/17/418078417.db2.gz AGRFYLLVONKHOP-KBXIAJHMSA-N 1 3 312.458 0.566 20 0 DCADHO Cn1c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000647977163 418082956 /nfs/dbraw/zinc/08/29/56/418082956.db2.gz YSTUQIQLVZYKBX-KGLIPLIRSA-N 1 3 320.437 0.296 20 0 DCADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H]1CNc2ccnn2C1 ZINC000648036587 418090317 /nfs/dbraw/zinc/09/03/17/418090317.db2.gz PMJWQEDHLTYNGL-OAHLLOKOSA-N 1 3 308.474 0.740 20 0 DCADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H]1CNc2ccnn2C1 ZINC000648036587 418090320 /nfs/dbraw/zinc/09/03/20/418090320.db2.gz PMJWQEDHLTYNGL-OAHLLOKOSA-N 1 3 308.474 0.740 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCN1C ZINC000664215275 418099382 /nfs/dbraw/zinc/09/93/82/418099382.db2.gz ALJSXOKYQODRRD-FMKPAKJESA-N 1 3 324.469 0.710 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCN1C ZINC000664215275 418099386 /nfs/dbraw/zinc/09/93/86/418099386.db2.gz ALJSXOKYQODRRD-FMKPAKJESA-N 1 3 324.469 0.710 20 0 DCADHO CCCC[N@H+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659454796 418099536 /nfs/dbraw/zinc/09/95/36/418099536.db2.gz OKRMEUILQBXUQB-UHFFFAOYSA-N 1 3 310.402 0.172 20 0 DCADHO CCCC[N@@H+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659454796 418099538 /nfs/dbraw/zinc/09/95/38/418099538.db2.gz OKRMEUILQBXUQB-UHFFFAOYSA-N 1 3 310.402 0.172 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659452733 418099662 /nfs/dbraw/zinc/09/96/62/418099662.db2.gz QFRQGOXWLUZLPD-ZIAGYGMSSA-N 1 3 300.447 0.770 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000659475842 418103345 /nfs/dbraw/zinc/10/33/45/418103345.db2.gz QKIKIZBFMYJLME-GFCCVEGCSA-N 1 3 309.414 0.429 20 0 DCADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659502935 418107096 /nfs/dbraw/zinc/10/70/96/418107096.db2.gz FIXJRRCPSRYDSA-NSHDSACASA-N 1 3 322.413 0.172 20 0 DCADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659502935 418107098 /nfs/dbraw/zinc/10/70/98/418107098.db2.gz FIXJRRCPSRYDSA-NSHDSACASA-N 1 3 322.413 0.172 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000659640363 418134674 /nfs/dbraw/zinc/13/46/74/418134674.db2.gz NXMNGIWMMLMDRP-AWEZNQCLSA-N 1 3 311.474 0.263 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659638067 418135158 /nfs/dbraw/zinc/13/51/58/418135158.db2.gz WNWHWXGGMDSAMU-CJNGLKHVSA-N 1 3 320.437 0.660 20 0 DCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654386406 418139585 /nfs/dbraw/zinc/13/95/85/418139585.db2.gz WRGZDLOMNOURFB-XGUBFFRZSA-N 1 3 308.426 0.074 20 0 DCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654386406 418139587 /nfs/dbraw/zinc/13/95/87/418139587.db2.gz WRGZDLOMNOURFB-XGUBFFRZSA-N 1 3 308.426 0.074 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](CN)C1 ZINC000659674584 418142138 /nfs/dbraw/zinc/14/21/38/418142138.db2.gz UQGYDXYLBWIQTB-KGLIPLIRSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000659680444 418144270 /nfs/dbraw/zinc/14/42/70/418144270.db2.gz GAXPVUMFYPUZKS-YIYPIFLZSA-N 1 3 312.458 0.193 20 0 DCADHO C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000659697921 418151417 /nfs/dbraw/zinc/15/14/17/418151417.db2.gz LGPILZFXSABWCV-ILXRZTDVSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000659712628 418158841 /nfs/dbraw/zinc/15/88/41/418158841.db2.gz MFYYYKCTALPDIS-CYBMUJFWSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000659718855 418161397 /nfs/dbraw/zinc/16/13/97/418161397.db2.gz SRHLZZKYZMMIGN-IHRRRGAJSA-N 1 3 310.442 0.221 20 0 DCADHO CO[C@@H](C)[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664928963 418162096 /nfs/dbraw/zinc/16/20/96/418162096.db2.gz YWZNIZZIRPLRTH-MJBXVCDLSA-N 1 3 302.463 0.981 20 0 DCADHO CO[C@@H](C)[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664928963 418162097 /nfs/dbraw/zinc/16/20/97/418162097.db2.gz YWZNIZZIRPLRTH-MJBXVCDLSA-N 1 3 302.463 0.981 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000659738714 418171232 /nfs/dbraw/zinc/17/12/32/418171232.db2.gz ITAFONVYMWZYAQ-XQLPTFJDSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659740612 418172146 /nfs/dbraw/zinc/17/21/46/418172146.db2.gz IVTMOXPPFDFTTI-YOEHRIQHSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000649352870 418246960 /nfs/dbraw/zinc/24/69/60/418246960.db2.gz RJJLPTBHALUWOV-PMPSAXMXSA-N 1 3 308.470 0.613 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350500 418247283 /nfs/dbraw/zinc/24/72/83/418247283.db2.gz IZOOEYQVYDDPHP-QWHCGFSZSA-N 1 3 318.412 0.373 20 0 DCADHO CN(CCC[NH3+])CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000649410030 418252057 /nfs/dbraw/zinc/25/20/57/418252057.db2.gz IZALJNUGBIJKLA-UHFFFAOYSA-N 1 3 305.426 0.401 20 0 DCADHO CN(C(=O)CN1CC(C)(C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000654773894 418187000 /nfs/dbraw/zinc/18/70/00/418187000.db2.gz LWSLMVYGFNXBTD-INIZCTEOSA-N 1 3 322.497 0.955 20 0 DCADHO CC[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CC[C@@H]1[NH3+] ZINC000649416615 418253456 /nfs/dbraw/zinc/25/34/56/418253456.db2.gz GJZCJHGDCFFYPR-CJNGLKHVSA-N 1 3 308.470 0.789 20 0 DCADHO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)NC1CCN(C2CC2)CC1 ZINC000649418692 418253998 /nfs/dbraw/zinc/25/39/98/418253998.db2.gz GQMYACVWNKIJIN-XJKSGUPXSA-N 1 3 306.454 0.413 20 0 DCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656029231 418320939 /nfs/dbraw/zinc/32/09/39/418320939.db2.gz WYIWXPIVDSTWFL-TUVASFSCSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656083016 418325655 /nfs/dbraw/zinc/32/56/55/418325655.db2.gz CFFWZEDFLKKNMD-SOUVJXGZSA-N 1 3 324.469 0.384 20 0 DCADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655416250 418260644 /nfs/dbraw/zinc/26/06/44/418260644.db2.gz MUUYVKKXRMPQAV-YOEHRIQHSA-N 1 3 315.421 0.819 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660587420 418271283 /nfs/dbraw/zinc/27/12/83/418271283.db2.gz AAVVPSGFHDJECA-OAHLLOKOSA-N 1 3 312.458 0.879 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660587420 418271285 /nfs/dbraw/zinc/27/12/85/418271285.db2.gz AAVVPSGFHDJECA-OAHLLOKOSA-N 1 3 312.458 0.879 20 0 DCADHO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660663678 418279233 /nfs/dbraw/zinc/27/92/33/418279233.db2.gz OYOFQZRZHOLVDJ-HRCADAONSA-N 1 3 300.443 0.817 20 0 DCADHO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660663678 418279235 /nfs/dbraw/zinc/27/92/35/418279235.db2.gz OYOFQZRZHOLVDJ-HRCADAONSA-N 1 3 300.443 0.817 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCn1ccnc1 ZINC000656540464 418360949 /nfs/dbraw/zinc/36/09/49/418360949.db2.gz JLANEKWUTNFOOH-AWEZNQCLSA-N 1 3 310.446 0.454 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCn1ccnc1 ZINC000656540464 418360952 /nfs/dbraw/zinc/36/09/52/418360952.db2.gz JLANEKWUTNFOOH-AWEZNQCLSA-N 1 3 310.446 0.454 20 0 DCADHO COc1cccc(NC(=O)CC[NH2+]C2(CO)CCNCC2)c1 ZINC000662286992 418396867 /nfs/dbraw/zinc/39/68/67/418396867.db2.gz OWJOYOOWWAZWRP-UHFFFAOYSA-N 1 3 307.394 0.728 20 0 DCADHO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@@H](N2CCCC2)C1 ZINC000662439014 418409764 /nfs/dbraw/zinc/40/97/64/418409764.db2.gz GKNUXLCWJUPUBO-CHWSQXEVSA-N 1 3 303.410 0.797 20 0 DCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1cnnn1C1CC[NH2+]CC1 ZINC000662452296 418410920 /nfs/dbraw/zinc/41/09/20/418410920.db2.gz RHMHUBBKWAGVNT-CYBMUJFWSA-N 1 3 318.425 0.417 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662497102 418412919 /nfs/dbraw/zinc/41/29/19/418412919.db2.gz DDNKKFZHTUADQD-UHIISALHSA-N 1 3 303.410 0.699 20 0 DCADHO CN(CC(=O)NC1CCN(C2CC2)CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662330074 418401574 /nfs/dbraw/zinc/40/15/74/418401574.db2.gz VCBIQVAKKKTLGL-LBPRGKRZSA-N 1 3 322.375 0.551 20 0 DCADHO CN(C)[C@]1(CNC(=O)NCCOCC[NH+](C)C)CCSC1 ZINC000471634395 287517084 /nfs/dbraw/zinc/51/70/84/287517084.db2.gz FMEPMLOXMBZBCF-AWEZNQCLSA-N 1 3 318.487 0.301 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332314605 287620976 /nfs/dbraw/zinc/62/09/76/287620976.db2.gz QCIZIHFFIFRQNG-KFWWJZLASA-N 1 3 322.453 0.187 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340509789 261183797 /nfs/dbraw/zinc/18/37/97/261183797.db2.gz LXEGSONNXPPZJR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340509789 261183799 /nfs/dbraw/zinc/18/37/99/261183799.db2.gz LXEGSONNXPPZJR-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354688862 261259850 /nfs/dbraw/zinc/25/98/50/261259850.db2.gz SIAQDOICEXDMNX-UHFFFAOYSA-N 1 3 310.442 0.141 20 0 DCADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000354703386 261262091 /nfs/dbraw/zinc/26/20/91/261262091.db2.gz YZHONDMBINGETN-HUUCEWRRSA-N 1 3 322.453 0.332 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354800817 261273311 /nfs/dbraw/zinc/27/33/11/261273311.db2.gz KJALPQVQMDUFEX-UHFFFAOYSA-N 1 3 310.442 0.140 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)N(C)C ZINC000354985626 261293894 /nfs/dbraw/zinc/29/38/94/261293894.db2.gz RUAJJROFBNQGJY-HOCLYGCPSA-N 1 3 310.486 0.954 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000355282466 261325665 /nfs/dbraw/zinc/32/56/65/261325665.db2.gz RXIUCJHECQKKKL-MGPQQGTHSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CCN1C ZINC000355884318 261373293 /nfs/dbraw/zinc/37/32/93/261373293.db2.gz WKBLOTQKJPYMFG-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](N)CC(F)F)CC1 ZINC000356136482 261396023 /nfs/dbraw/zinc/39/60/23/261396023.db2.gz YAPJVCRMAZXGFV-PWSUYJOCSA-N 1 3 307.385 0.520 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362771361 262071188 /nfs/dbraw/zinc/07/11/88/262071188.db2.gz YDWYMVOJTTUKGY-HOTGVXAUSA-N 1 3 310.486 0.718 20 0 DCADHO CCN1CCN(CCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362771361 262071190 /nfs/dbraw/zinc/07/11/90/262071190.db2.gz YDWYMVOJTTUKGY-HOTGVXAUSA-N 1 3 310.486 0.718 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000362970194 262090800 /nfs/dbraw/zinc/09/08/00/262090800.db2.gz IWIYNPDVLOPXIN-SOUVJXGZSA-N 1 3 312.458 0.879 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000362970194 262090801 /nfs/dbraw/zinc/09/08/01/262090801.db2.gz IWIYNPDVLOPXIN-SOUVJXGZSA-N 1 3 312.458 0.879 20 0 DCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000416984129 262243269 /nfs/dbraw/zinc/24/32/69/262243269.db2.gz XNZRLFGUNTVGNO-UONOGXRCSA-N 1 3 311.474 0.404 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417089007 262245754 /nfs/dbraw/zinc/24/57/54/262245754.db2.gz ILNBBYUQXUOQSW-KBPBESRZSA-N 1 3 300.447 0.771 20 0 DCADHO COCCN(C)CCCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417098672 262246184 /nfs/dbraw/zinc/24/61/84/262246184.db2.gz YVIAUTYYFMJHMA-ZIAGYGMSSA-N 1 3 300.447 0.581 20 0 DCADHO COCCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417296728 262249239 /nfs/dbraw/zinc/24/92/39/262249239.db2.gz MJONFMZMCGCQHA-UKRRQHHQSA-N 1 3 312.458 0.914 20 0 DCADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CNCCO2)c1 ZINC000417410235 262250996 /nfs/dbraw/zinc/25/09/96/262250996.db2.gz VWUONKXVOQLNLO-MRXNPFEDSA-N 1 3 320.437 0.926 20 0 DCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CNCCO2)c1 ZINC000417410235 262250997 /nfs/dbraw/zinc/25/09/97/262250997.db2.gz VWUONKXVOQLNLO-MRXNPFEDSA-N 1 3 320.437 0.926 20 0 DCADHO C[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000417587139 262255909 /nfs/dbraw/zinc/25/59/09/262255909.db2.gz NOZHTXQWKKYPHT-ZBFHGGJFSA-N 1 3 320.437 0.876 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417748347 262260154 /nfs/dbraw/zinc/26/01/54/262260154.db2.gz KIOFCGHMJVKRAE-AWEZNQCLSA-N 1 3 311.474 0.441 20 0 DCADHO COCCCN(C)CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000417748932 262260251 /nfs/dbraw/zinc/26/02/51/262260251.db2.gz IXXWXDUSNSGRLE-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000417744016 262260339 /nfs/dbraw/zinc/26/03/39/262260339.db2.gz CJKHOBGANKFSGX-WLYUNCDWSA-N 1 3 311.474 0.391 20 0 DCADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000417761841 262261082 /nfs/dbraw/zinc/26/10/82/262261082.db2.gz ZMDBHHJKZAHONH-GJZGRUSLSA-N 1 3 313.490 0.415 20 0 DCADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000417811247 262262792 /nfs/dbraw/zinc/26/27/92/262262792.db2.gz ONJYMTAHCUZASK-OAHLLOKOSA-N 1 3 312.458 0.912 20 0 DCADHO CN(C)CCOCCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000418069099 262269402 /nfs/dbraw/zinc/26/94/02/262269402.db2.gz OSWHARYJNZMBIK-JKSUJKDBSA-N 1 3 320.437 0.701 20 0 DCADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccco1 ZINC000418168937 262271780 /nfs/dbraw/zinc/27/17/80/262271780.db2.gz OWBDOKRLDYVIJX-IHRRRGAJSA-N 1 3 324.425 0.996 20 0 DCADHO COc1cccc(CN(CCN(C)C)C(=O)NCC2C[NH2+]C2)c1 ZINC000418480208 262278888 /nfs/dbraw/zinc/27/88/88/262278888.db2.gz BFNAQAOQSLOPHF-UHFFFAOYSA-N 1 3 320.437 0.988 20 0 DCADHO O=C(NCCC1=CC[NH2+]CC1)NC[C@H]1CCCN1CCCO ZINC000418599824 262284049 /nfs/dbraw/zinc/28/40/49/262284049.db2.gz IKNWGUGRSKWIEP-OAHLLOKOSA-N 1 3 310.442 0.442 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418784198 262289506 /nfs/dbraw/zinc/28/95/06/262289506.db2.gz GREPOEJZIPQZMS-KKUMJFAQSA-N 1 3 312.458 0.866 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418847042 262292495 /nfs/dbraw/zinc/29/24/95/262292495.db2.gz ZTRUBGZQLQLXFU-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC1 ZINC000418915956 262297742 /nfs/dbraw/zinc/29/77/42/262297742.db2.gz QRZITZSLGBYTSU-DZGCQCFKSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419020387 262305597 /nfs/dbraw/zinc/30/55/97/262305597.db2.gz FPWANBXYJSYCDR-MGPQQGTHSA-N 1 3 312.458 0.337 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000419019819 262305695 /nfs/dbraw/zinc/30/56/95/262305695.db2.gz DXELECXHYOLUDG-QPSCCSFWSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000419078836 262307373 /nfs/dbraw/zinc/30/73/73/262307373.db2.gz LSVSINXOJMMBKJ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419119467 262310481 /nfs/dbraw/zinc/31/04/81/262310481.db2.gz JXAHXFZDSKNMPZ-RRFJBIMHSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419124635 262310964 /nfs/dbraw/zinc/31/09/64/262310964.db2.gz RFBXNKCWDZCWKK-RBSFLKMASA-N 1 3 324.469 0.624 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419125700 262311098 /nfs/dbraw/zinc/31/10/98/262311098.db2.gz UOHDYYASXVZVGT-ILXRZTDVSA-N 1 3 324.469 0.611 20 0 DCADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419170132 262316575 /nfs/dbraw/zinc/31/65/75/262316575.db2.gz NEDOAQMQFFVROQ-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000419198205 262318767 /nfs/dbraw/zinc/31/87/67/262318767.db2.gz KONCVXWWZHUDSX-KGLIPLIRSA-N 1 3 320.437 0.477 20 0 DCADHO C[C@H](CN)NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000419198205 262318768 /nfs/dbraw/zinc/31/87/68/262318768.db2.gz KONCVXWWZHUDSX-KGLIPLIRSA-N 1 3 320.437 0.477 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419404387 262330258 /nfs/dbraw/zinc/33/02/58/262330258.db2.gz GDVRPLUUMACHCR-UONOGXRCSA-N 1 3 310.442 0.221 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419407161 262330645 /nfs/dbraw/zinc/33/06/45/262330645.db2.gz JRLCZAXCFLLSMR-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000419407646 262330674 /nfs/dbraw/zinc/33/06/74/262330674.db2.gz KQCYZGNUXBIRFU-KRWDZBQOSA-N 1 3 324.469 0.340 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000419409637 262331295 /nfs/dbraw/zinc/33/12/95/262331295.db2.gz NHTDJETXIFUQAU-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419427219 262333066 /nfs/dbraw/zinc/33/30/66/262333066.db2.gz RLEYNAJDSYRYJP-ILXRZTDVSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419480452 262333932 /nfs/dbraw/zinc/33/39/32/262333932.db2.gz NIPJDRHLULDUEB-ZFWWWQNUSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000419480452 262333935 /nfs/dbraw/zinc/33/39/35/262333935.db2.gz NIPJDRHLULDUEB-ZFWWWQNUSA-N 1 3 324.469 0.611 20 0 DCADHO CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000419553186 262337847 /nfs/dbraw/zinc/33/78/47/262337847.db2.gz YINLDRUKWMBDSE-STQMWFEESA-N 1 3 314.474 0.713 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419590848 262338814 /nfs/dbraw/zinc/33/88/14/262338814.db2.gz QPNNZRFDTTZLBK-RBSFLKMASA-N 1 3 324.469 0.481 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419592026 262339145 /nfs/dbraw/zinc/33/91/45/262339145.db2.gz RLLNCMNPXKWZDM-UONOGXRCSA-N 1 3 310.442 0.093 20 0 DCADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419697749 262347051 /nfs/dbraw/zinc/34/70/51/262347051.db2.gz RNHAURPKKNCDLO-ZFWWWQNUSA-N 1 3 322.453 0.459 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419699534 262347410 /nfs/dbraw/zinc/34/74/10/262347410.db2.gz WGFGBNYIEWVHCV-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000420000050 262357141 /nfs/dbraw/zinc/35/71/41/262357141.db2.gz PCMXJGHJPZKWPD-KGLIPLIRSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N1CCC[C@@H](C)C1 ZINC000420190103 262366310 /nfs/dbraw/zinc/36/63/10/262366310.db2.gz GRSXNCNROQXITR-KBUPBQIOSA-N 1 3 324.469 0.467 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000422131748 262397835 /nfs/dbraw/zinc/39/78/35/262397835.db2.gz HMYUICRIFMEYIY-ZIAGYGMSSA-N 1 3 310.442 0.092 20 0 DCADHO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426451456 262553817 /nfs/dbraw/zinc/55/38/17/262553817.db2.gz QIPCWGNAAGHGBD-GDBMZVCRSA-N 1 3 308.470 0.755 20 0 DCADHO CC(C)(CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000418845049 271258627 /nfs/dbraw/zinc/25/86/27/271258627.db2.gz UPTVHTFJNUFDCL-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000418875162 271260806 /nfs/dbraw/zinc/26/08/06/271260806.db2.gz VWVDNSLFZZJUAO-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419403438 271288986 /nfs/dbraw/zinc/28/89/86/271288986.db2.gz DSDWFSFFIQCNAJ-AWEZNQCLSA-N 1 3 312.458 0.468 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000419520224 271295777 /nfs/dbraw/zinc/29/57/77/271295777.db2.gz HESLOIUOFNQRKW-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])C1CC1 ZINC000419521887 271296695 /nfs/dbraw/zinc/29/66/95/271296695.db2.gz LJIQEELORJZYAN-TZMCWYRMSA-N 1 3 310.442 0.315 20 0 DCADHO CCCN(C(=O)C(=O)NCCN(CC)C1CC1)[C@H]1CC[NH2+]C1 ZINC000419520954 271297184 /nfs/dbraw/zinc/29/71/84/271297184.db2.gz JCDBAPGACSOUTI-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419576343 271309102 /nfs/dbraw/zinc/30/91/02/271309102.db2.gz CCBKJMAXUOZJFA-ZNMIVQPWSA-N 1 3 324.469 0.611 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H]1CN ZINC000419814942 271328051 /nfs/dbraw/zinc/32/80/51/271328051.db2.gz HKTSPNUTHVWIJS-KBXIAJHMSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H]1CN ZINC000419814942 271328053 /nfs/dbraw/zinc/32/80/53/271328053.db2.gz HKTSPNUTHVWIJS-KBXIAJHMSA-N 1 3 322.453 0.315 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419862976 271335805 /nfs/dbraw/zinc/33/58/05/271335805.db2.gz DIBCDIUANANONE-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000419947201 271347889 /nfs/dbraw/zinc/34/78/89/271347889.db2.gz CFGFXGHSBKESGW-CQSZACIVSA-N 1 3 314.474 0.522 20 0 DCADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419948462 271348115 /nfs/dbraw/zinc/34/81/15/271348115.db2.gz FTUFBBLFMMBDSF-CYBMUJFWSA-N 1 3 300.447 0.276 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000420008709 271350273 /nfs/dbraw/zinc/35/02/73/271350273.db2.gz BWNFXRYJYKPYDW-MCIONIFRSA-N 1 3 310.442 0.173 20 0 DCADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000420446348 271371156 /nfs/dbraw/zinc/37/11/56/271371156.db2.gz HYHYOHFPMSZWNU-UHFFFAOYSA-N 1 3 317.459 0.077 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000459915626 272019590 /nfs/dbraw/zinc/01/95/90/272019590.db2.gz HQOSZZUMEIZNSC-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CN(C)C/C=C/C(=O)N(C)CCN(C)C(=O)/C=C\C[NH+](C)C ZINC000492296559 272121180 /nfs/dbraw/zinc/12/11/80/272121180.db2.gz GNZMVQCRKNRURH-FKJILZIQSA-N 1 3 310.442 0.139 20 0 DCADHO CN(C)C/C=C\C(=O)N(C)CCN(C)C(=O)/C=C/C[NH+](C)C ZINC000492296559 272121183 /nfs/dbraw/zinc/12/11/83/272121183.db2.gz GNZMVQCRKNRURH-FKJILZIQSA-N 1 3 310.442 0.139 20 0 DCADHO CC(C)(C)OC(=O)NCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000497091462 272368676 /nfs/dbraw/zinc/36/86/76/272368676.db2.gz RGUWYUZLJYQYDX-CYBMUJFWSA-N 1 3 301.431 0.948 20 0 DCADHO O=C(N1CC[C@@H](N2CCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000516473483 287665548 /nfs/dbraw/zinc/66/55/48/287665548.db2.gz TWZSVNRRSLHQLK-OAHLLOKOSA-N 1 3 317.437 0.659 20 0 DCADHO CC(C)N1CCN(CCC[NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000337310882 277610797 /nfs/dbraw/zinc/61/07/97/277610797.db2.gz BQJVYESHNCSBNC-KRWDZBQOSA-N 1 3 313.486 0.780 20 0 DCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333160345 288118350 /nfs/dbraw/zinc/11/83/50/288118350.db2.gz GJWPUOSSEQUWQE-KBMXLJTQSA-N 1 3 321.469 0.158 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000340783299 279306494 /nfs/dbraw/zinc/30/64/94/279306494.db2.gz WAZNMHURTLXJAO-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000296555879 281248764 /nfs/dbraw/zinc/24/87/64/281248764.db2.gz UWQGAUOSBUTJOY-ZIAGYGMSSA-N 1 3 303.410 0.818 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000561226910 288533778 /nfs/dbraw/zinc/53/37/78/288533778.db2.gz DRXAGYBUCJZJMC-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000565426835 288851926 /nfs/dbraw/zinc/85/19/26/288851926.db2.gz JGVRYICAHVBSOI-GFCCVEGCSA-N 1 3 307.398 0.136 20 0 DCADHO O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)NC1C[NH2+]C1 ZINC000565707076 288872289 /nfs/dbraw/zinc/87/22/89/288872289.db2.gz HJBMPMXAPZXWAE-UHFFFAOYSA-N 1 3 322.453 0.237 20 0 DCADHO C[C@@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)CCC[NH2+]C1 ZINC000296517902 289150464 /nfs/dbraw/zinc/15/04/64/289150464.db2.gz RXMHEIWBIODTEE-MRXNPFEDSA-N 1 3 303.410 0.819 20 0 DCADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331371 289332312 /nfs/dbraw/zinc/33/23/12/289332312.db2.gz BUPFZMGGRZOVDC-FRRDWIJNSA-N 1 3 308.426 0.685 20 0 DCADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332615468 295301503 /nfs/dbraw/zinc/30/15/03/295301503.db2.gz BFQZUAXXYONBTQ-ZIAGYGMSSA-N 1 3 308.426 0.023 20 0 DCADHO COC[C@@]1(CNC(=O)N2CC[C@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000570697462 332802664 /nfs/dbraw/zinc/80/26/64/332802664.db2.gz MWXGTTWFJMBDLH-HOCLYGCPSA-N 1 3 310.442 0.635 20 0 DCADHO N[C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)C1CCOCC1 ZINC000575300304 332559717 /nfs/dbraw/zinc/55/97/17/332559717.db2.gz LBIZDUOPFIJTOI-CABZTGNLSA-N 1 3 310.423 0.652 20 0 DCADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000584459667 337343923 /nfs/dbraw/zinc/34/39/23/337343923.db2.gz HTDWPOWSJYKLPI-HNNXBMFYSA-N 1 3 312.458 0.737 20 0 DCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000584459667 337343924 /nfs/dbraw/zinc/34/39/24/337343924.db2.gz HTDWPOWSJYKLPI-HNNXBMFYSA-N 1 3 312.458 0.737 20 0 DCADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCCNCC2)([NH+](C)C)C1 ZINC000331907629 533797007 /nfs/dbraw/zinc/79/70/07/533797007.db2.gz AIQJRWXXXDAIDW-RHSMWYFYSA-N 1 3 324.469 0.435 20 0 DCADHO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H](C)N)CC1 ZINC000157353040 520609203 /nfs/dbraw/zinc/60/92/03/520609203.db2.gz ONLHHNAKGNJQIQ-CYBMUJFWSA-N 1 3 312.458 0.420 20 0 DCADHO CN(CCNC(=O)[C@H]([NH3+])C1CCOCC1)Cc1ccccc1 ZINC000261905828 522858081 /nfs/dbraw/zinc/85/80/81/522858081.db2.gz XAPTXQIXHKOBSM-MRXNPFEDSA-N 1 3 305.422 0.989 20 0 DCADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC[NH3+])Cc1ccccc1 ZINC000419381850 528269438 /nfs/dbraw/zinc/26/94/38/528269438.db2.gz YTIMOYCXDCVSDI-HNNXBMFYSA-N 1 3 320.437 0.131 20 0 DCADHO CCCN(C(=O)C(=O)N(C)CCN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000423658035 535185974 /nfs/dbraw/zinc/18/59/74/535185974.db2.gz FBJSCMKHXNATRI-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001664395155 1174430049 /nfs/dbraw/zinc/43/00/49/1174430049.db2.gz NDHQILGUSJWISY-CYBMUJFWSA-N 1 3 308.430 0.154 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000077825995 545679026 /nfs/dbraw/zinc/67/90/26/545679026.db2.gz YRAWEKRICVLUPJ-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1(O)CCN(C)CC1 ZINC000077825995 545679030 /nfs/dbraw/zinc/67/90/30/545679030.db2.gz YRAWEKRICVLUPJ-CQSZACIVSA-N 1 3 312.458 0.617 20 0 DCADHO C[NH2+]CCN(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417737409 546245264 /nfs/dbraw/zinc/24/52/64/546245264.db2.gz NVZNHYIBGJOBLH-UHFFFAOYSA-N 1 3 304.438 0.946 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H]([NH+](C)C)CC2)C[C@H](C)O1 ZINC000429537579 546249542 /nfs/dbraw/zinc/24/95/42/546249542.db2.gz QQILMASKSZWJDW-YYIAUSFCSA-N 1 3 313.486 0.873 20 0 DCADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637474433 546333197 /nfs/dbraw/zinc/33/31/97/546333197.db2.gz HISDYZOAJJLHON-HOCLYGCPSA-N 1 3 312.458 0.615 20 0 DCADHO COC[C@@]1(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCCCN1 ZINC000638069108 546337193 /nfs/dbraw/zinc/33/71/93/546337193.db2.gz MKIWYWVSYAAAKI-LSDHHAIUSA-N 1 3 315.483 0.699 20 0 DCADHO CC(C)OCCOC[C@H](O)CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253795 546370990 /nfs/dbraw/zinc/37/09/90/546370990.db2.gz LBNABXDQZGEDOO-CABCVRRESA-N 1 3 316.442 0.242 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1(CO)CC1 ZINC000665761715 546395411 /nfs/dbraw/zinc/39/54/11/546395411.db2.gz NXCGPVLNHKQGJS-AWEZNQCLSA-N 1 3 314.474 0.672 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1(CO)CC1 ZINC000665761715 546395415 /nfs/dbraw/zinc/39/54/15/546395415.db2.gz NXCGPVLNHKQGJS-AWEZNQCLSA-N 1 3 314.474 0.672 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c[nH]nc2C1 ZINC000665761144 546395921 /nfs/dbraw/zinc/39/59/21/546395921.db2.gz YLRCPESKNDGWHN-ZDUSSCGKSA-N 1 3 322.457 0.749 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c[nH]nc2C1 ZINC000665761144 546395924 /nfs/dbraw/zinc/39/59/24/546395924.db2.gz YLRCPESKNDGWHN-ZDUSSCGKSA-N 1 3 322.457 0.749 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000665763754 546397766 /nfs/dbraw/zinc/39/77/66/546397766.db2.gz KZSXELXZGCFVOM-ZNMIVQPWSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)CC[C@H]1C ZINC000665763754 546397771 /nfs/dbraw/zinc/39/77/71/546397771.db2.gz KZSXELXZGCFVOM-ZNMIVQPWSA-N 1 3 314.474 0.813 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCO)CCc2ccccc2)C1 ZINC000666640966 546492392 /nfs/dbraw/zinc/49/23/92/546492392.db2.gz MYTYLBPCLRWPGW-KRWDZBQOSA-N 1 3 319.449 0.721 20 0 DCADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCO)CCc2ccccc2)C1 ZINC000666640966 546492397 /nfs/dbraw/zinc/49/23/97/546492397.db2.gz MYTYLBPCLRWPGW-KRWDZBQOSA-N 1 3 319.449 0.721 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)NC/C=C/C[NH3+] ZINC000669426326 546970369 /nfs/dbraw/zinc/97/03/69/546970369.db2.gz NDWXGTRDAIXBRF-AATRIKPKSA-N 1 3 306.410 0.941 20 0 DCADHO CC[C@@H]1CN(C(=O)NCCN(C)CCCOC)CC[C@@H]1[NH3+] ZINC000669498413 546980059 /nfs/dbraw/zinc/98/00/59/546980059.db2.gz SSFRWPJHTMXXRZ-KGLIPLIRSA-N 1 3 300.447 0.724 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000670545915 547114446 /nfs/dbraw/zinc/11/44/46/547114446.db2.gz UEGONBQOYUFRTR-AWEZNQCLSA-N 1 3 310.442 0.186 20 0 DCADHO Cc1occc1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000671407846 547202818 /nfs/dbraw/zinc/20/28/18/547202818.db2.gz HPOLCKHMDJCGDE-UHFFFAOYSA-N 1 3 324.425 0.156 20 0 DCADHO CCN1C[C@H](NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000672013872 547312900 /nfs/dbraw/zinc/31/29/00/547312900.db2.gz OMTVOCHLILLFQY-GUTXKFCHSA-N 1 3 324.469 0.289 20 0 DCADHO CN(CCCN(C)CC[NH+](C)C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000677221244 547855882 /nfs/dbraw/zinc/85/58/82/547855882.db2.gz UITCYLLSNMEAOR-OAHLLOKOSA-N 1 3 319.515 0.627 20 0 DCADHO Cc1c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC000677580469 547890026 /nfs/dbraw/zinc/89/00/26/547890026.db2.gz HUYQGIHYQUTYDV-UHFFFAOYSA-N 1 3 310.446 0.363 20 0 DCADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCC[NH+](C)C ZINC000683819324 548521527 /nfs/dbraw/zinc/52/15/27/548521527.db2.gz QHAWZZXFZMRPSA-AWEZNQCLSA-N 1 3 312.458 0.833 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ccccn4)C[C@H]32)C1 ZINC000979068311 660657339 /nfs/dbraw/zinc/65/73/39/660657339.db2.gz HSMYGINMMALZLZ-QSPRXWTASA-N 1 3 314.433 0.827 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ccccn4)C[C@H]32)C1 ZINC000979068311 660657341 /nfs/dbraw/zinc/65/73/41/660657341.db2.gz HSMYGINMMALZLZ-QSPRXWTASA-N 1 3 314.433 0.827 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCn2cccn2)CC[N@@H+]1C ZINC001027894708 660892384 /nfs/dbraw/zinc/89/23/84/660892384.db2.gz OXDJLVHZVVZBBU-BZUAXINKSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2CCn2cccn2)CC[N@H+]1C ZINC001027894708 660892385 /nfs/dbraw/zinc/89/23/85/660892385.db2.gz OXDJLVHZVVZBBU-BZUAXINKSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](N(C)CCF)C1 ZINC000980413790 660936266 /nfs/dbraw/zinc/93/62/66/660936266.db2.gz YCIBXBQFRJHACM-KBPBESRZSA-N 1 3 301.406 0.457 20 0 DCADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cnns2)CN1C(=O)CN1CCCC1 ZINC000980802430 661013885 /nfs/dbraw/zinc/01/38/85/661013885.db2.gz ZDLNBMFYYFRMHS-OLZOCXBDSA-N 1 3 323.466 0.961 20 0 DCADHO O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCCN(CCCO)CC1 ZINC000981152288 661088843 /nfs/dbraw/zinc/08/88/43/661088843.db2.gz GGPGWYQIMIEYJQ-JKSUJKDBSA-N 1 3 309.454 0.778 20 0 DCADHO O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCCN(CCCO)CC1 ZINC000981152288 661088845 /nfs/dbraw/zinc/08/88/45/661088845.db2.gz GGPGWYQIMIEYJQ-JKSUJKDBSA-N 1 3 309.454 0.778 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036376 661091281 /nfs/dbraw/zinc/09/12/81/661091281.db2.gz BWLRWXHPQPXGEJ-DGNOSDGRSA-N 1 3 323.437 0.077 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036376 661091283 /nfs/dbraw/zinc/09/12/83/661091283.db2.gz BWLRWXHPQPXGEJ-DGNOSDGRSA-N 1 3 323.437 0.077 20 0 DCADHO CO[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038933823 661276968 /nfs/dbraw/zinc/27/69/68/661276968.db2.gz HSXXGXRZGSGQMF-QWHCGFSZSA-N 1 3 306.410 0.987 20 0 DCADHO CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001038933823 661276969 /nfs/dbraw/zinc/27/69/69/661276969.db2.gz HSXXGXRZGSGQMF-QWHCGFSZSA-N 1 3 306.410 0.987 20 0 DCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1ccnn1C ZINC000939055152 665478193 /nfs/dbraw/zinc/47/81/93/665478193.db2.gz UTZVYHRTPDUBRR-CZUORRHYSA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1)C(N)=O ZINC000970383544 657462061 /nfs/dbraw/zinc/46/20/61/657462061.db2.gz VXNHPEGPZOQBIK-CABCVRRESA-N 1 3 324.469 0.561 20 0 DCADHO COCCC1(NC(=O)N[C@H]2CCN(C3CC3)C2)CC[NH2+]CC1 ZINC000891559278 657484423 /nfs/dbraw/zinc/48/44/23/657484423.db2.gz DEIPLDBJGUWWPS-ZDUSSCGKSA-N 1 3 310.442 0.681 20 0 DCADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000891575164 657497166 /nfs/dbraw/zinc/49/71/66/657497166.db2.gz FDEACIILFRUCFV-KGLIPLIRSA-N 1 3 312.458 0.785 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000892335516 657499423 /nfs/dbraw/zinc/49/94/23/657499423.db2.gz SFFHBNZZVSRXKG-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN1CCC(NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000892335516 657499431 /nfs/dbraw/zinc/49/94/31/657499431.db2.gz SFFHBNZZVSRXKG-AWEZNQCLSA-N 1 3 312.458 0.881 20 0 DCADHO Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000998722623 665511659 /nfs/dbraw/zinc/51/16/59/665511659.db2.gz OVZIFSNAFGXGBQ-HIFRSBDPSA-N 1 3 305.426 0.595 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC000970716389 657820807 /nfs/dbraw/zinc/82/08/07/657820807.db2.gz CXYHWWQPTMXUFI-HUUCEWRRSA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939209784 665518377 /nfs/dbraw/zinc/51/83/77/665518377.db2.gz JJZQTECJPWYJAN-IUODEOHRSA-N 1 3 316.409 0.365 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001020541565 657892583 /nfs/dbraw/zinc/89/25/83/657892583.db2.gz CXRPLVGETXKYNZ-WKILWMFISA-N 1 3 317.437 0.864 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926332000 658096586 /nfs/dbraw/zinc/09/65/86/658096586.db2.gz DJZTYRSIDNGABT-SOUVJXGZSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@@H]1CCC[C@@](CN2C(=O)N[C@@H](CN(C)C)C2=O)([NH+](C)C)C1 ZINC000924507960 658139072 /nfs/dbraw/zinc/13/90/72/658139072.db2.gz AMRAHAMRXBEQOM-DVOMOZLQSA-N 1 3 310.442 0.979 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000969815602 658178050 /nfs/dbraw/zinc/17/80/50/658178050.db2.gz YGQSLIDUXFJLNG-CYBMUJFWSA-N 1 3 306.414 0.145 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)N(C)C ZINC000969844808 658202851 /nfs/dbraw/zinc/20/28/51/658202851.db2.gz QOCSUIFTQRMDKG-ZIAGYGMSSA-N 1 3 308.430 0.055 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCc3ccnn3C)C2)C1 ZINC000969947737 658285011 /nfs/dbraw/zinc/28/50/11/658285011.db2.gz GZACYQKTEXRXRG-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCc3ccnn3C)C2)C1 ZINC000969947737 658285018 /nfs/dbraw/zinc/28/50/18/658285018.db2.gz GZACYQKTEXRXRG-UONOGXRCSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC001023889573 658297166 /nfs/dbraw/zinc/29/71/66/658297166.db2.gz PWKZNYJALLPYPN-GOEBONIOSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001023890259 658298474 /nfs/dbraw/zinc/29/84/74/658298474.db2.gz WNXHBNADQWHTKE-ZBFHGGJFSA-N 1 3 319.453 0.843 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022721231 658388110 /nfs/dbraw/zinc/38/81/10/658388110.db2.gz VKPVKGRLFKQRJJ-HPEDKQMDSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022721231 658388118 /nfs/dbraw/zinc/38/81/18/658388118.db2.gz VKPVKGRLFKQRJJ-HPEDKQMDSA-N 1 3 306.410 0.918 20 0 DCADHO CN(C)C[C@H]1NC(=O)N(C[C@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000924436375 658669413 /nfs/dbraw/zinc/66/94/13/658669413.db2.gz BEWAELVISGGILQ-LSDHHAIUSA-N 1 3 318.421 0.641 20 0 DCADHO C[N@H+](CC1CCOCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427443 658753625 /nfs/dbraw/zinc/75/36/25/658753625.db2.gz WXZIWRQXFLPBJR-OAHLLOKOSA-N 1 3 306.410 0.912 20 0 DCADHO C[N@@H+](CC1CCOCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427443 658753627 /nfs/dbraw/zinc/75/36/27/658753627.db2.gz WXZIWRQXFLPBJR-OAHLLOKOSA-N 1 3 306.410 0.912 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC000970337170 658868742 /nfs/dbraw/zinc/86/87/42/658868742.db2.gz JWYJNGKMJPGLIP-HZPDHXFCSA-N 1 3 309.454 0.945 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001023024560 658919999 /nfs/dbraw/zinc/91/99/99/658919999.db2.gz AIIMNVKHLTYXQH-BETUJISGSA-N 1 3 302.382 0.394 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1)C1CC1 ZINC000999372207 665638720 /nfs/dbraw/zinc/63/87/20/665638720.db2.gz OMZVIWJGYYHJFX-HZPDHXFCSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000973958318 659086766 /nfs/dbraw/zinc/08/67/66/659086766.db2.gz KCIRNDXEUXJUOM-APIJFGDWSA-N 1 3 322.453 0.328 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000973958318 659086771 /nfs/dbraw/zinc/08/67/71/659086771.db2.gz KCIRNDXEUXJUOM-APIJFGDWSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1ncoc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027216421 659088692 /nfs/dbraw/zinc/08/86/92/659088692.db2.gz UBEWTYOLHUYFRP-UONOGXRCSA-N 1 3 306.410 0.873 20 0 DCADHO Cc1ncoc1CNC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027216421 659088696 /nfs/dbraw/zinc/08/86/96/659088696.db2.gz UBEWTYOLHUYFRP-UONOGXRCSA-N 1 3 306.410 0.873 20 0 DCADHO Cn1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001027218101 659091150 /nfs/dbraw/zinc/09/11/50/659091150.db2.gz XNUYEELRAPTMDW-AWEZNQCLSA-N 1 3 305.426 0.454 20 0 DCADHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCC(C)(C)C2)C1)C(N)=O ZINC000999409116 665642310 /nfs/dbraw/zinc/64/23/10/665642310.db2.gz OOUGXFIBRSXSLF-JXQTWKCFSA-N 1 3 324.469 0.561 20 0 DCADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC001026386939 659272047 /nfs/dbraw/zinc/27/20/47/659272047.db2.gz VAOAJQPFGOIGFO-HRCADAONSA-N 1 3 309.454 0.537 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000925616089 659352873 /nfs/dbraw/zinc/35/28/73/659352873.db2.gz QKCWNKSAUYBVIU-RBKKPWLPSA-N 1 3 301.456 0.340 20 0 DCADHO COCCN1CC[C@@H](N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924601114 659407808 /nfs/dbraw/zinc/40/78/08/659407808.db2.gz VBCMMTHTYURHSJ-KGLIPLIRSA-N 1 3 324.425 0.113 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3CN2)CCO1 ZINC000892789007 659457534 /nfs/dbraw/zinc/45/75/34/659457534.db2.gz KDBYFLIXGOKBSC-CABCVRRESA-N 1 3 304.394 0.070 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCO1 ZINC000892789008 659457842 /nfs/dbraw/zinc/45/78/42/659457842.db2.gz KDBYFLIXGOKBSC-GJZGRUSLSA-N 1 3 304.394 0.070 20 0 DCADHO CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000892818162 659470546 /nfs/dbraw/zinc/47/05/46/659470546.db2.gz JDDBHHAWUFWEJC-HUUCEWRRSA-N 1 3 312.458 0.927 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000892945225 659541056 /nfs/dbraw/zinc/54/10/56/659541056.db2.gz ZFIVIOURVAICGP-OAGGEKHMSA-N 1 3 324.469 0.975 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000892945225 659541062 /nfs/dbraw/zinc/54/10/62/659541062.db2.gz ZFIVIOURVAICGP-OAGGEKHMSA-N 1 3 324.469 0.975 20 0 DCADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799040 659565615 /nfs/dbraw/zinc/56/56/15/659565615.db2.gz QFJGDYYOVCBYCJ-NRKLIOEPSA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025799040 659565616 /nfs/dbraw/zinc/56/56/16/659565616.db2.gz QFJGDYYOVCBYCJ-NRKLIOEPSA-N 1 3 319.449 0.862 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(CCO)CC2(C)C)CC1 ZINC000977426182 659695202 /nfs/dbraw/zinc/69/52/02/659695202.db2.gz LBPMJXCCOQKTOJ-OAHLLOKOSA-N 1 3 311.470 0.926 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001026040802 659754674 /nfs/dbraw/zinc/75/46/74/659754674.db2.gz GOMPPSJSWNBVLI-OCABDXPQSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]21 ZINC001026040802 659754680 /nfs/dbraw/zinc/75/46/80/659754680.db2.gz GOMPPSJSWNBVLI-OCABDXPQSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001027063079 659758789 /nfs/dbraw/zinc/75/87/89/659758789.db2.gz GXRAXWJLGVWTFZ-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CNCc2cn(C)nn2)C1 ZINC001027063079 659758793 /nfs/dbraw/zinc/75/87/93/659758793.db2.gz GXRAXWJLGVWTFZ-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001026043852 659759901 /nfs/dbraw/zinc/75/99/01/659759901.db2.gz GQOZBNBZZHPOIZ-SUJAAXHWSA-N 1 3 317.437 0.127 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001026043852 659759908 /nfs/dbraw/zinc/75/99/08/659759908.db2.gz GQOZBNBZZHPOIZ-SUJAAXHWSA-N 1 3 317.437 0.127 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H]4CCCO4)C[C@H]32)C1 ZINC001026043646 659760829 /nfs/dbraw/zinc/76/08/29/659760829.db2.gz YCDGOVNAHHLGEO-IMSKVBIZSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@H]32)C1 ZINC001026043646 659760831 /nfs/dbraw/zinc/76/08/31/659760831.db2.gz YCDGOVNAHHLGEO-IMSKVBIZSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1)[NH+](C)C ZINC000999866100 665703539 /nfs/dbraw/zinc/70/35/39/665703539.db2.gz WYCWJGFQPFIHJR-BBRMVZONSA-N 1 3 324.469 0.241 20 0 DCADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027092049 659799236 /nfs/dbraw/zinc/79/92/36/659799236.db2.gz ZPWOMMJVSUNTIJ-OCCSQVGLSA-N 1 3 319.409 0.011 20 0 DCADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCN1CCO ZINC001028333630 661463662 /nfs/dbraw/zinc/46/36/62/661463662.db2.gz PMSPNOGWRGKLFV-OAHLLOKOSA-N 1 3 305.422 0.935 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028699244 661766259 /nfs/dbraw/zinc/76/62/59/661766259.db2.gz VZZQSDCDOMFFGH-CTMQZQKCSA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028699244 661766261 /nfs/dbraw/zinc/76/62/61/661766261.db2.gz VZZQSDCDOMFFGH-CTMQZQKCSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]([NH3+])CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000261910507 661818798 /nfs/dbraw/zinc/81/87/98/661818798.db2.gz WKVSRYAVJDERFO-CYBMUJFWSA-N 1 3 305.422 0.997 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN([C@@H]3CCCNC3=O)C2)CC1 ZINC001028779329 661821526 /nfs/dbraw/zinc/82/15/26/661821526.db2.gz ZDDMPAMKBDZRJX-DZGCQCFKSA-N 1 3 322.453 0.045 20 0 DCADHO CN1C[C@@H](O)C[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000924981684 661830018 /nfs/dbraw/zinc/83/00/18/661830018.db2.gz LOIQQCTUHKKHNK-OWCLPIDISA-N 1 3 305.422 0.861 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C2CCCCC2)C1=O ZINC000925011612 661881620 /nfs/dbraw/zinc/88/16/20/661881620.db2.gz CIXGKBLRCJSAJN-KBPBESRZSA-N 1 3 308.426 0.875 20 0 DCADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C2CCCCC2)C1=O ZINC000925011612 661881622 /nfs/dbraw/zinc/88/16/22/661881622.db2.gz CIXGKBLRCJSAJN-KBPBESRZSA-N 1 3 308.426 0.875 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028985567 661919114 /nfs/dbraw/zinc/91/91/14/661919114.db2.gz MLYBVKKYHFWWNV-LSDHHAIUSA-N 1 3 319.453 0.618 20 0 DCADHO Cc1nn(C)cc1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985567 661919116 /nfs/dbraw/zinc/91/91/16/661919116.db2.gz MLYBVKKYHFWWNV-LSDHHAIUSA-N 1 3 319.453 0.618 20 0 DCADHO CCN1CCN(CCC[NH2+]C[C@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894385951 661949993 /nfs/dbraw/zinc/94/99/93/661949993.db2.gz XTABMKRRCXOECH-STQMWFEESA-N 1 3 319.396 0.658 20 0 DCADHO CN1CCC(NC(=S)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000748603480 662017251 /nfs/dbraw/zinc/01/72/51/662017251.db2.gz WEFORRWTBUYDRA-AWEZNQCLSA-N 1 3 316.540 0.982 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000390022 665833913 /nfs/dbraw/zinc/83/39/13/665833913.db2.gz PNXWGKKDIDSCMA-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000895841799 662221718 /nfs/dbraw/zinc/22/17/18/662221718.db2.gz SYWOEVCEXHPXKW-HRCADAONSA-N 1 3 324.469 0.711 20 0 DCADHO CCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000895841799 662221719 /nfs/dbraw/zinc/22/17/19/662221719.db2.gz SYWOEVCEXHPXKW-HRCADAONSA-N 1 3 324.469 0.711 20 0 DCADHO C[C@@H]1CC[N@H+](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000895849941 662222653 /nfs/dbraw/zinc/22/26/53/662222653.db2.gz BWAJJPYNMWAWJI-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000895849941 662222654 /nfs/dbraw/zinc/22/26/54/662222654.db2.gz BWAJJPYNMWAWJI-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000984798823 662315884 /nfs/dbraw/zinc/31/58/84/662315884.db2.gz CGKZGOQHYRVUDK-DZKIICNBSA-N 1 3 319.453 0.889 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000984806700 662316555 /nfs/dbraw/zinc/31/65/55/662316555.db2.gz ZXRJRXJYLNKYMM-JHJVBQTASA-N 1 3 323.466 0.864 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](CNCc3cnns3)C2)C1 ZINC000984806700 662316558 /nfs/dbraw/zinc/31/65/58/662316558.db2.gz ZXRJRXJYLNKYMM-JHJVBQTASA-N 1 3 323.466 0.864 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cnn(C)c3)C2)C1 ZINC000984804182 662316737 /nfs/dbraw/zinc/31/67/37/662316737.db2.gz MOYOWIOHNKRYJX-DZKIICNBSA-N 1 3 319.453 0.746 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC000985119636 662368696 /nfs/dbraw/zinc/36/86/96/662368696.db2.gz LBBVDQLFFMKLNX-RBSFLKMASA-N 1 3 319.453 0.665 20 0 DCADHO Cc1cc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1C ZINC000985119636 662368697 /nfs/dbraw/zinc/36/86/97/662368697.db2.gz LBBVDQLFFMKLNX-RBSFLKMASA-N 1 3 319.453 0.665 20 0 DCADHO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985467071 662460040 /nfs/dbraw/zinc/46/00/40/662460040.db2.gz HGTFSVCNSQFVKR-GJZGRUSLSA-N 1 3 324.469 0.513 20 0 DCADHO CC[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985467071 662460041 /nfs/dbraw/zinc/46/00/41/662460041.db2.gz HGTFSVCNSQFVKR-GJZGRUSLSA-N 1 3 324.469 0.513 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1)N(C)C ZINC000985492117 662466901 /nfs/dbraw/zinc/46/69/01/662466901.db2.gz KYQGGLYIFYHYKB-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1)N(C)C ZINC000985492117 662466902 /nfs/dbraw/zinc/46/69/02/662466902.db2.gz KYQGGLYIFYHYKB-ZIAGYGMSSA-N 1 3 310.442 0.138 20 0 DCADHO C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000985499466 662468645 /nfs/dbraw/zinc/46/86/45/662468645.db2.gz RYQAYOGYRZGINN-OCCSQVGLSA-N 1 3 310.442 0.267 20 0 DCADHO C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000985499466 662468646 /nfs/dbraw/zinc/46/86/46/662468646.db2.gz RYQAYOGYRZGINN-OCCSQVGLSA-N 1 3 310.442 0.267 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1)N(C)C ZINC000985656073 662497233 /nfs/dbraw/zinc/49/72/33/662497233.db2.gz KYQGGLYIFYHYKB-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1)N(C)C ZINC000985656073 662497235 /nfs/dbraw/zinc/49/72/35/662497235.db2.gz KYQGGLYIFYHYKB-UONOGXRCSA-N 1 3 310.442 0.138 20 0 DCADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001000546340 665879401 /nfs/dbraw/zinc/87/94/01/665879401.db2.gz ONYRAQJHLZCDOK-GJZGRUSLSA-N 1 3 322.453 0.187 20 0 DCADHO COCCN(CCN(C)C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932536 662518695 /nfs/dbraw/zinc/51/86/95/662518695.db2.gz FLBTWNCLCNBFNM-UHFFFAOYSA-N 1 3 322.453 0.907 20 0 DCADHO C[C@@H]1[C@H]([NH2+]Cc2ccnn2C)CCN1C(=O)CN(C)C1CCC1 ZINC000986355272 662583206 /nfs/dbraw/zinc/58/32/06/662583206.db2.gz MMCRQXDUZXGSSN-CZUORRHYSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC000987329127 662668454 /nfs/dbraw/zinc/66/84/54/662668454.db2.gz MSJOOZXMOKWGFP-WFASDCNBSA-N 1 3 322.453 0.173 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897551018 662899131 /nfs/dbraw/zinc/89/91/31/662899131.db2.gz BQUXKHMUKZXJAZ-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897551018 662899132 /nfs/dbraw/zinc/89/91/32/662899132.db2.gz BQUXKHMUKZXJAZ-AWEZNQCLSA-N 1 3 300.447 0.332 20 0 DCADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729620381 662905859 /nfs/dbraw/zinc/90/58/59/662905859.db2.gz QVXPAZFNEXIBAC-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000729620381 662905860 /nfs/dbraw/zinc/90/58/60/662905860.db2.gz QVXPAZFNEXIBAC-BZUAXINKSA-N 1 3 324.469 0.881 20 0 DCADHO C[C@@H]1C[C@H](NCc2cnn(C)c2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683335 662971473 /nfs/dbraw/zinc/97/14/73/662971473.db2.gz PKUQEBUSGBLKTC-HIFRSBDPSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@H]1C[C@H](NCc2ccnn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989681518 662971866 /nfs/dbraw/zinc/97/18/66/662971866.db2.gz CWFIYXIIDVSJAE-KBPBESRZSA-N 1 3 317.437 0.595 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]Cc2cncn2C)CN1C(=O)CN1CCCC1 ZINC000989800967 662978284 /nfs/dbraw/zinc/97/82/84/662978284.db2.gz WIPJOOWPVQWWNA-KGLIPLIRSA-N 1 3 305.426 0.595 20 0 DCADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990275936 663027922 /nfs/dbraw/zinc/02/79/22/663027922.db2.gz FETHATRKKPLTCS-INIZCTEOSA-N 1 3 319.453 0.903 20 0 DCADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1C ZINC000990277356 663028111 /nfs/dbraw/zinc/02/81/11/663028111.db2.gz NCWXRHGEBJGOEE-INIZCTEOSA-N 1 3 319.453 0.903 20 0 DCADHO CC[C@H](C(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000941102751 665923655 /nfs/dbraw/zinc/92/36/55/665923655.db2.gz RLEMBEKAEXBURG-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](C(=O)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000941102751 665923657 /nfs/dbraw/zinc/92/36/57/665923657.db2.gz RLEMBEKAEXBURG-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCO)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000899731641 663183881 /nfs/dbraw/zinc/18/38/81/663183881.db2.gz DKRUXSVGMBKJHR-UHFFFAOYSA-N 1 3 305.422 0.936 20 0 DCADHO O=S(=O)(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CNC1 ZINC000903572150 663466866 /nfs/dbraw/zinc/46/68/66/663466866.db2.gz XEXBRPXVCXERKD-DZGCQCFKSA-N 1 3 323.418 0.134 20 0 DCADHO O=C(NC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C1CC1 ZINC000903725124 663475232 /nfs/dbraw/zinc/47/52/32/663475232.db2.gz WVHNTUPYPHJLBR-NVXWUHKLSA-N 1 3 307.438 0.746 20 0 DCADHO CC(C)C(=O)NC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723028 663475247 /nfs/dbraw/zinc/47/52/47/663475247.db2.gz SEGQYYJACLULMU-DOTOQJQBSA-N 1 3 309.454 0.992 20 0 DCADHO CN(C)C(=O)N(C)[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766090 663480930 /nfs/dbraw/zinc/48/09/30/663480930.db2.gz OFSRVBRJVXEDCL-HUUCEWRRSA-N 1 3 324.469 0.833 20 0 DCADHO O=C1OCCN1C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903764957 663480961 /nfs/dbraw/zinc/48/09/61/663480961.db2.gz CMPDKJILSUTBJT-HOCLYGCPSA-N 1 3 309.410 0.672 20 0 DCADHO CNC(=O)NC[C@@H]1CCCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903777709 663483812 /nfs/dbraw/zinc/48/38/12/663483812.db2.gz CSPMIQDEXXZARL-LZWOXQAQSA-N 1 3 310.442 0.539 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000903783627 663484587 /nfs/dbraw/zinc/48/45/87/663484587.db2.gz YONUQARGOLSVBI-LSDHHAIUSA-N 1 3 322.453 0.284 20 0 DCADHO CCOC(=O)[C@@H]1[C@@H]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@@H]21 ZINC000903786140 663484922 /nfs/dbraw/zinc/48/49/22/663484922.db2.gz FGXYLVIEVWLCIO-GAGVYUBLSA-N 1 3 308.422 0.886 20 0 DCADHO CC(=O)NC[C@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903874329 663490925 /nfs/dbraw/zinc/49/09/25/663490925.db2.gz YBNIPGNZZDNAFY-HZPDHXFCSA-N 1 3 321.469 0.694 20 0 DCADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000903935628 663497068 /nfs/dbraw/zinc/49/70/68/663497068.db2.gz RENOPKCKMZNJEL-DCTDLSKUSA-N 1 3 303.410 0.716 20 0 DCADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccccc1C[NH3+] ZINC000904628525 663517352 /nfs/dbraw/zinc/51/73/52/663517352.db2.gz VPTRGZOADRTXJH-UHFFFAOYSA-N 1 3 321.425 0.629 20 0 DCADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)C1(O)CCC1 ZINC000905176016 663539245 /nfs/dbraw/zinc/53/92/45/663539245.db2.gz PLKCGMNJKQGTOG-XHSDSOJGSA-N 1 3 312.454 0.620 20 0 DCADHO O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCCC1)CN1CCCC1 ZINC000905345573 663547052 /nfs/dbraw/zinc/54/70/52/663547052.db2.gz ODILNRLFFKSMAC-LSDHHAIUSA-N 1 3 300.443 0.479 20 0 DCADHO O[C@H](C[NH2+]C[C@H](O)CC1(O)CCCCC1)CN1CCCC1 ZINC000905345572 663547143 /nfs/dbraw/zinc/54/71/43/663547143.db2.gz ODILNRLFFKSMAC-HUUCEWRRSA-N 1 3 300.443 0.479 20 0 DCADHO CC1CCN(CCC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905889565 663586950 /nfs/dbraw/zinc/58/69/50/663586950.db2.gz LYZUPTVXJSGGFH-HOTGVXAUSA-N 1 3 300.443 0.600 20 0 DCADHO C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CCC(C)CC1 ZINC000911090766 663980319 /nfs/dbraw/zinc/98/03/19/663980319.db2.gz MDHROMDLUQOWEF-MGPQQGTHSA-N 1 3 310.442 0.077 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1CC[NH3+] ZINC000911223429 664005418 /nfs/dbraw/zinc/00/54/18/664005418.db2.gz OKSVSIIERVGUGL-YUELXQCFSA-N 1 3 322.453 0.030 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000911275280 664014691 /nfs/dbraw/zinc/01/46/91/664014691.db2.gz LLNXNYAEXRQMGK-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000911325516 664028645 /nfs/dbraw/zinc/02/86/45/664028645.db2.gz TYRPDZYCIXILJM-LXTVHRRPSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911333742 664029775 /nfs/dbraw/zinc/02/97/75/664029775.db2.gz ULUUUCIGWCVBOO-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO CC1([NH+]2CCC2)CCC(NC(=O)C(=O)N2CCCNCC2)CC1 ZINC000911457906 664060865 /nfs/dbraw/zinc/06/08/65/664060865.db2.gz YIIYRBMVDFZTHW-UHFFFAOYSA-N 1 3 322.453 0.332 20 0 DCADHO CC1(C)CCN(CCNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000911529299 664068742 /nfs/dbraw/zinc/06/87/42/664068742.db2.gz CJDPWZUFXDNKDL-SUMWQHHRSA-N 1 3 322.453 0.174 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911520768 664073696 /nfs/dbraw/zinc/07/36/96/664073696.db2.gz KFIIVWYSTFUBRX-CYBMUJFWSA-N 1 3 324.469 0.433 20 0 DCADHO N[C@H]1CCc2cc(C(=O)NC[C@@H]3CCC[NH2+]C3)ccc2NC1=O ZINC000911705677 664103814 /nfs/dbraw/zinc/10/38/14/664103814.db2.gz AHPSPBCHEMAELT-RISCZKNCSA-N 1 3 316.405 0.628 20 0 DCADHO CN(C)CCn1nccc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871458 664240488 /nfs/dbraw/zinc/24/04/88/664240488.db2.gz UHDAQEFOTOASHK-UHFFFAOYSA-N 1 3 305.426 0.755 20 0 DCADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000953905054 664641967 /nfs/dbraw/zinc/64/19/67/664641967.db2.gz PVSSNJMUWKWHKM-HUUCEWRRSA-N 1 3 322.453 0.090 20 0 DCADHO CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015324156 664767604 /nfs/dbraw/zinc/76/76/04/664767604.db2.gz MMWUGDXYFCWDTD-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001015324156 664767606 /nfs/dbraw/zinc/76/76/06/664767606.db2.gz MMWUGDXYFCWDTD-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000916113997 665060398 /nfs/dbraw/zinc/06/03/98/665060398.db2.gz YEWZWAKNLJUUFN-HNNXBMFYSA-N 1 3 312.458 0.879 20 0 DCADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000916113997 665060400 /nfs/dbraw/zinc/06/04/00/665060400.db2.gz YEWZWAKNLJUUFN-HNNXBMFYSA-N 1 3 312.458 0.879 20 0 DCADHO CN1C[C@@]2(C)CN(S(=O)(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC000918370360 665165963 /nfs/dbraw/zinc/16/59/63/665165963.db2.gz XCTXAKPUFVYJKD-KBPBESRZSA-N 1 3 303.472 0.542 20 0 DCADHO C[C@H](CNC(=S)NCCC[NH+](C)C)CN1CCN(C)CC1 ZINC000920993265 665285536 /nfs/dbraw/zinc/28/55/36/665285536.db2.gz DDWOCZANGMBWNE-CQSZACIVSA-N 1 3 315.531 0.286 20 0 DCADHO CCO[C@H](CC[NH+](C)C)CNCc1c2c(nn1C)CCOC2 ZINC000921828699 666013586 /nfs/dbraw/zinc/01/35/86/666013586.db2.gz XHGLCNLZVVQCLP-CYBMUJFWSA-N 1 3 310.442 0.939 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016249862 666022054 /nfs/dbraw/zinc/02/20/54/666022054.db2.gz JZVXKZJNAVGIIP-ZIAGYGMSSA-N 1 3 305.426 0.105 20 0 DCADHO Cn1nccc1CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016249862 666022056 /nfs/dbraw/zinc/02/20/56/666022056.db2.gz JZVXKZJNAVGIIP-ZIAGYGMSSA-N 1 3 305.426 0.105 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000941673923 666038333 /nfs/dbraw/zinc/03/83/33/666038333.db2.gz QKDHJFGBAMGTDO-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000941673923 666038335 /nfs/dbraw/zinc/03/83/35/666038335.db2.gz QKDHJFGBAMGTDO-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@@H](C)O)CC1 ZINC001001473129 666056999 /nfs/dbraw/zinc/05/69/99/666056999.db2.gz WTKGEMIRQYNXCM-ZBFHGGJFSA-N 1 3 309.454 0.990 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@@H](C)O)CC1 ZINC001001473129 666057001 /nfs/dbraw/zinc/05/70/01/666057001.db2.gz WTKGEMIRQYNXCM-ZBFHGGJFSA-N 1 3 309.454 0.990 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)C1 ZINC001002122004 666134441 /nfs/dbraw/zinc/13/44/41/666134441.db2.gz XBILLPRIVTWWQW-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN([C@@H]3CCCNC3=O)CC2)C1 ZINC001002122004 666134442 /nfs/dbraw/zinc/13/44/42/666134442.db2.gz XBILLPRIVTWWQW-LSDHHAIUSA-N 1 3 322.453 0.045 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946784334 666656658 /nfs/dbraw/zinc/65/66/58/666656658.db2.gz GULMIUPQYCIYEX-XQLPTFJDSA-N 1 3 324.469 0.371 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946784334 666656659 /nfs/dbraw/zinc/65/66/59/666656659.db2.gz GULMIUPQYCIYEX-XQLPTFJDSA-N 1 3 324.469 0.371 20 0 DCADHO O=C(CN1CCCC1)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996344702 666770669 /nfs/dbraw/zinc/77/06/69/666770669.db2.gz XEPHDTFPGGGJJB-UHFFFAOYSA-N 1 3 320.437 0.038 20 0 DCADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCn1cccn1 ZINC000996356333 666776721 /nfs/dbraw/zinc/77/67/21/666776721.db2.gz RTROBWNFRGUASM-CQSZACIVSA-N 1 3 316.409 0.676 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000996445009 666788156 /nfs/dbraw/zinc/78/81/56/666788156.db2.gz ZLOOQPNVSOHGAC-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000996445009 666788160 /nfs/dbraw/zinc/78/81/60/666788160.db2.gz ZLOOQPNVSOHGAC-UONOGXRCSA-N 1 3 322.453 0.140 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610139 666836697 /nfs/dbraw/zinc/83/66/97/666836697.db2.gz JZXWGXHLHRPYTG-QWHCGFSZSA-N 1 3 320.441 0.391 20 0 DCADHO Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610139 666836699 /nfs/dbraw/zinc/83/66/99/666836699.db2.gz JZXWGXHLHRPYTG-QWHCGFSZSA-N 1 3 320.441 0.391 20 0 DCADHO CN(C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1CCN(CCO)CC1 ZINC001005388567 666839933 /nfs/dbraw/zinc/83/99/33/666839933.db2.gz AOANROHJWSXIAT-GOEBONIOSA-N 1 3 309.454 0.776 20 0 DCADHO CN(C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1CCN(CCO)CC1 ZINC001005388567 666839937 /nfs/dbraw/zinc/83/99/37/666839937.db2.gz AOANROHJWSXIAT-GOEBONIOSA-N 1 3 309.454 0.776 20 0 DCADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCOC)C1 ZINC001033831155 666840861 /nfs/dbraw/zinc/84/08/61/666840861.db2.gz UBGYJYFVNVAWAH-CVEARBPZSA-N 1 3 309.454 0.897 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1)N(C)C ZINC000996710362 666867087 /nfs/dbraw/zinc/86/70/87/666867087.db2.gz CLJBEECGZNWKRR-HUUCEWRRSA-N 1 3 324.469 0.528 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CCn2cncn2)CC1)N(C)C ZINC000996711859 666869727 /nfs/dbraw/zinc/86/97/27/666869727.db2.gz MAIWNYOSMAYTHA-CQSZACIVSA-N 1 3 308.430 0.199 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000861730214 666967898 /nfs/dbraw/zinc/96/78/98/666967898.db2.gz OKUMJPQBTZTODW-HIFRSBDPSA-N 1 3 320.437 0.081 20 0 DCADHO O=C(N[C@H]1CCCCN(CCO)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001034331628 666990367 /nfs/dbraw/zinc/99/03/67/666990367.db2.gz UMEJFDONSYDZFN-JKSUJKDBSA-N 1 3 309.454 0.824 20 0 DCADHO Cn1cc(CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC000997043223 667085759 /nfs/dbraw/zinc/08/57/59/667085759.db2.gz WAKZXATZVNMEKE-UHFFFAOYSA-N 1 3 316.409 0.509 20 0 DCADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000863749955 667174987 /nfs/dbraw/zinc/17/49/87/667174987.db2.gz HEKWPAVBLNEYJX-UONOGXRCSA-N 1 3 310.442 0.269 20 0 DCADHO C[NH2+]C1(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CCC1 ZINC000863921860 667193786 /nfs/dbraw/zinc/19/37/86/667193786.db2.gz NCZILRXZLPNOGB-LSDHHAIUSA-N 1 3 319.453 0.714 20 0 DCADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O)C1CCC1 ZINC001034957790 667198661 /nfs/dbraw/zinc/19/86/61/667198661.db2.gz JMJAXIAOMFIFCO-HUUCEWRRSA-N 1 3 322.453 0.330 20 0 DCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001035039413 667223619 /nfs/dbraw/zinc/22/36/19/667223619.db2.gz AOFYOZMGMYLHBZ-RBSFLKMASA-N 1 3 324.469 0.432 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCN(CC)C1=O)N(C)C ZINC001035051992 667229395 /nfs/dbraw/zinc/22/93/95/667229395.db2.gz BQBJSBHEJMICNS-KFWWJZLASA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001035050420 667229528 /nfs/dbraw/zinc/22/95/28/667229528.db2.gz DCHYUWFPIHWSKX-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300496 667233617 /nfs/dbraw/zinc/23/36/17/667233617.db2.gz WGQPKSAACAUURA-AWEZNQCLSA-N 1 3 319.453 0.935 20 0 DCADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997300496 667233619 /nfs/dbraw/zinc/23/36/19/667233619.db2.gz WGQPKSAACAUURA-AWEZNQCLSA-N 1 3 319.453 0.935 20 0 DCADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001035103050 667239663 /nfs/dbraw/zinc/23/96/63/667239663.db2.gz URLQDYWSYSUGHX-CQSZACIVSA-N 1 3 317.437 0.597 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000997366413 667260606 /nfs/dbraw/zinc/26/06/06/667260606.db2.gz DQEYNJGCRIHNCP-JSGCOSHPSA-N 1 3 310.442 0.315 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CCO)C2)CC1)C1CC1 ZINC001035193994 667269015 /nfs/dbraw/zinc/26/90/15/667269015.db2.gz RWKAKWNFYXHGOZ-OAHLLOKOSA-N 1 3 309.454 0.633 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CCO)C2)CC1)C1CC1 ZINC001035193994 667269018 /nfs/dbraw/zinc/26/90/18/667269018.db2.gz RWKAKWNFYXHGOZ-OAHLLOKOSA-N 1 3 309.454 0.633 20 0 DCADHO C[C@@H](O)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035230935 667277090 /nfs/dbraw/zinc/27/70/90/667277090.db2.gz GFBLEAHOYRGURW-CYBMUJFWSA-N 1 3 306.410 0.648 20 0 DCADHO C[C@@H](O)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035230935 667277093 /nfs/dbraw/zinc/27/70/93/667277093.db2.gz GFBLEAHOYRGURW-CYBMUJFWSA-N 1 3 306.410 0.648 20 0 DCADHO CN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000997615817 667349220 /nfs/dbraw/zinc/34/92/20/667349220.db2.gz XAWWRFUXUAKBPY-HUUCEWRRSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035722615 667404100 /nfs/dbraw/zinc/40/41/00/667404100.db2.gz WZBDDHZIIVTFHB-AWEZNQCLSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCn1cccn1 ZINC001036194412 667429401 /nfs/dbraw/zinc/42/94/01/667429401.db2.gz PNXMYGZVYGRJPR-DZGCQCFKSA-N 1 3 316.409 0.676 20 0 DCADHO Cc1ccc(C)c(OC[C@@H](O)CN(C)CCN2CC[NH2+]CC2)c1 ZINC000923287280 667497043 /nfs/dbraw/zinc/49/70/43/667497043.db2.gz SGDIITYMZLMDOD-KRWDZBQOSA-N 1 3 321.465 0.880 20 0 DCADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000884340988 667528075 /nfs/dbraw/zinc/52/80/75/667528075.db2.gz QWUYNAVUVDMIBS-QWHCGFSZSA-N 1 3 306.414 0.146 20 0 DCADHO C[C@H](CN1CCC2(CO[C@H](C[NH3+])C2)CC1)CS(C)(=O)=O ZINC000923448722 667534691 /nfs/dbraw/zinc/53/46/91/667534691.db2.gz GSYJOCBMJISCKI-OLZOCXBDSA-N 1 3 304.456 0.497 20 0 DCADHO COCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000884401724 667538336 /nfs/dbraw/zinc/53/83/36/667538336.db2.gz ZHBHJUCLFWFRMB-CVEARBPZSA-N 1 3 321.421 0.233 20 0 DCADHO COCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000884401724 667538339 /nfs/dbraw/zinc/53/83/39/667538339.db2.gz ZHBHJUCLFWFRMB-CVEARBPZSA-N 1 3 321.421 0.233 20 0 DCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868406534 667566933 /nfs/dbraw/zinc/56/69/33/667566933.db2.gz OFDISOXTXRBLOQ-CHWSQXEVSA-N 1 3 310.442 0.125 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923593128 667575447 /nfs/dbraw/zinc/57/54/47/667575447.db2.gz ITIHITDPTZOFGN-FRRDWIJNSA-N 1 3 301.456 0.625 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923593128 667575450 /nfs/dbraw/zinc/57/54/50/667575450.db2.gz ITIHITDPTZOFGN-FRRDWIJNSA-N 1 3 301.456 0.625 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884787081 667607501 /nfs/dbraw/zinc/60/75/01/667607501.db2.gz GMWAWSWLRSEBJH-AWEZNQCLSA-N 1 3 322.453 0.332 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870885240 667769561 /nfs/dbraw/zinc/76/95/61/667769561.db2.gz RBNVYMPSMYNDDQ-KEYYUXOJSA-N 1 3 323.437 0.505 20 0 DCADHO CCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])COC)cc2F)CC1 ZINC000871012042 667784786 /nfs/dbraw/zinc/78/47/86/667784786.db2.gz FHYVSPXHIWYTES-AWEZNQCLSA-N 1 3 324.400 0.880 20 0 DCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)Cn1cccn1 ZINC000887131102 667852753 /nfs/dbraw/zinc/85/27/53/667852753.db2.gz RBHKLSVDGSPZNO-GDBMZVCRSA-N 1 3 301.394 0.850 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872292487 667887830 /nfs/dbraw/zinc/88/78/30/667887830.db2.gz WZZOKNYJOKLIHC-CVEARBPZSA-N 1 3 310.486 0.990 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]3CO)CC2)CC1 ZINC000889151956 667953904 /nfs/dbraw/zinc/95/39/04/667953904.db2.gz IWOUKURVYQHNKG-MRXNPFEDSA-N 1 3 309.454 0.776 20 0 DCADHO CCS(=O)(=O)C[C@H](C)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292954 668072756 /nfs/dbraw/zinc/07/27/56/668072756.db2.gz WSJKGPFNPGHWJU-QWHCGFSZSA-N 1 3 304.456 0.558 20 0 DCADHO CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294025 668073025 /nfs/dbraw/zinc/07/30/25/668073025.db2.gz PLACGWOIDOTIBM-HZSPNIEDSA-N 1 3 311.426 0.028 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 ZINC000874256980 668163180 /nfs/dbraw/zinc/16/31/80/668163180.db2.gz PQIZTNMRAOKZQS-UHFFFAOYSA-N 1 3 324.425 0.113 20 0 DCADHO CN(CCO)CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000924998958 668263153 /nfs/dbraw/zinc/26/31/53/668263153.db2.gz NBCVUFHUFYNVCN-KRWDZBQOSA-N 1 3 319.449 0.906 20 0 DCADHO C[N@@H+]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC1(C)C ZINC000875236047 668285831 /nfs/dbraw/zinc/28/58/31/668285831.db2.gz ARSPSUDPUSOFED-GJZGRUSLSA-N 1 3 324.469 0.975 20 0 DCADHO C[N@H+]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCC1(C)C ZINC000875236047 668285834 /nfs/dbraw/zinc/28/58/34/668285834.db2.gz ARSPSUDPUSOFED-GJZGRUSLSA-N 1 3 324.469 0.975 20 0 DCADHO c1ccc(CN2CCCO[C@H](CN[C@H]3C[NH2+]CCOC3)C2)cc1 ZINC000925650478 668338480 /nfs/dbraw/zinc/33/84/80/668338480.db2.gz OYEVQZWVMNSFLR-ZWKOTPCHSA-N 1 3 319.449 0.856 20 0 DCADHO Cn1ccn2c(CCN[C@H]3C[C@H]([NH3+])CC(C)(C)C3)nnc2c1=O ZINC000925772166 668347946 /nfs/dbraw/zinc/34/79/46/668347946.db2.gz GJESMODLOPARMT-RYUDHWBXSA-N 1 3 318.425 0.466 20 0 DCADHO [NH3+]CCC[C@@H](NS(=O)(=O)N1CCNCC1)c1ccccc1 ZINC000923641245 668363602 /nfs/dbraw/zinc/36/36/02/668363602.db2.gz LHWPBHNPLUUEGC-CQSZACIVSA-N 1 3 312.439 0.206 20 0 DCADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000926335280 668395034 /nfs/dbraw/zinc/39/50/34/668395034.db2.gz XKRAVUBJVDMKJI-GJZGRUSLSA-N 1 3 322.453 0.271 20 0 DCADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926336686 668395774 /nfs/dbraw/zinc/39/57/74/668395774.db2.gz ZWNSOETXDAMWBJ-KGLIPLIRSA-N 1 3 310.442 0.126 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926358609 668398607 /nfs/dbraw/zinc/39/86/07/668398607.db2.gz BULRAHZQYCRTRO-QGZVFWFLSA-N 1 3 322.453 0.284 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(CN)cnn2C)C1 ZINC000876724103 668495962 /nfs/dbraw/zinc/49/59/62/668495962.db2.gz NSALWWFDTMVANN-BETUJISGSA-N 1 3 307.442 0.977 20 0 DCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c(CN)cnn2C)C1 ZINC000876724103 668495966 /nfs/dbraw/zinc/49/59/66/668495966.db2.gz NSALWWFDTMVANN-BETUJISGSA-N 1 3 307.442 0.977 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876756951 668502866 /nfs/dbraw/zinc/50/28/66/668502866.db2.gz BGNDZNSCQMTCSM-JSGCOSHPSA-N 1 3 315.433 0.940 20 0 DCADHO CN1CCN(CCCCNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876779955 668509631 /nfs/dbraw/zinc/50/96/31/668509631.db2.gz AANIKNNGKCLULM-MOEXGYKKSA-N 1 3 308.470 0.686 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876859100 668522244 /nfs/dbraw/zinc/52/22/44/668522244.db2.gz BTHIXGRTRJYCRC-OLZOCXBDSA-N 1 3 305.426 0.731 20 0 DCADHO NCc1cn([C@@H]2CCCN(C(=O)/C=C\[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000876919602 668536172 /nfs/dbraw/zinc/53/61/72/668536172.db2.gz XFAZPQQQTOAYNM-HJWXVDRSSA-N 1 3 318.425 0.456 20 0 DCADHO NCc1cn(-c2cccc(CNC(=O)C[C@H]3CC[NH2+]C3)c2)nn1 ZINC000877206625 668575995 /nfs/dbraw/zinc/57/59/95/668575995.db2.gz JQLFEVVRLOZOEF-CYBMUJFWSA-N 1 3 314.393 0.342 20 0 DCADHO COC[C@@]1(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCCC[NH2+]1 ZINC000877338307 668604683 /nfs/dbraw/zinc/60/46/83/668604683.db2.gz BWNSYSKRLNDHEL-FUHWJXTLSA-N 1 3 317.433 0.976 20 0 DCADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1[nH]nc2c1CNCC2 ZINC000877343383 668605697 /nfs/dbraw/zinc/60/56/97/668605697.db2.gz LQUPAZVKTFTNJU-ZDUSSCGKSA-N 1 3 311.389 0.500 20 0 DCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877451282 668619857 /nfs/dbraw/zinc/61/98/57/668619857.db2.gz NBOCWOVTPONYGB-HUUCEWRRSA-N 1 3 317.437 0.657 20 0 DCADHO CN1CCN(C2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000877747362 668644391 /nfs/dbraw/zinc/64/43/91/668644391.db2.gz IDBIIBAHJMYRCB-UHFFFAOYSA-N 1 3 316.449 0.997 20 0 DCADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929724076 668724466 /nfs/dbraw/zinc/72/44/66/668724466.db2.gz XOMMUWQRPKICSK-HRCADAONSA-N 1 3 300.443 0.695 20 0 DCADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929724076 668724471 /nfs/dbraw/zinc/72/44/71/668724471.db2.gz XOMMUWQRPKICSK-HRCADAONSA-N 1 3 300.443 0.695 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000775032672 668854757 /nfs/dbraw/zinc/85/47/57/668854757.db2.gz HIGZHBCIRZMDEY-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C2(O)CCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000930138106 668967105 /nfs/dbraw/zinc/96/71/05/668967105.db2.gz XODNALLKNOUQMV-PMPSAXMXSA-N 1 3 311.470 0.220 20 0 DCADHO O=C1OC[C@H]2CN(C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000879067787 668978347 /nfs/dbraw/zinc/97/83/47/668978347.db2.gz YFEZEIWXJUHPQO-JFIYKMOQSA-N 1 3 316.401 0.728 20 0 DCADHO O=C1OC[C@H]2CN(C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000879067787 668978350 /nfs/dbraw/zinc/97/83/50/668978350.db2.gz YFEZEIWXJUHPQO-JFIYKMOQSA-N 1 3 316.401 0.728 20 0 DCADHO CC[N@H+](C)C[C@H](O)CN1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879523638 669052436 /nfs/dbraw/zinc/05/24/36/669052436.db2.gz LWKPNUGUJGVZNK-RDJZCZTQSA-N 1 3 307.438 0.954 20 0 DCADHO CC[N@@H+](C)C[C@H](O)CN1CCN[C@H](c2ccc(OC)cc2)C1 ZINC000879523638 669052439 /nfs/dbraw/zinc/05/24/39/669052439.db2.gz LWKPNUGUJGVZNK-RDJZCZTQSA-N 1 3 307.438 0.954 20 0 DCADHO Cc1cccc(NCCNC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000783650681 669166937 /nfs/dbraw/zinc/16/69/37/669166937.db2.gz RROPGDQGFZCARE-CYBMUJFWSA-N 1 3 306.410 0.886 20 0 DCADHO COC(=O)[C@]12CCC[C@H]1CN(CC(=O)NC1CC[NH+](C)CC1)C2 ZINC000880329155 669191937 /nfs/dbraw/zinc/19/19/37/669191937.db2.gz KSDWAFKZQVGFFB-GUYCJALGSA-N 1 3 323.437 0.472 20 0 DCADHO CCOC(=O)C1([C@H](C)NC[C@H](O)C[N@H+](C)CC)CCOCC1 ZINC000933884942 669547779 /nfs/dbraw/zinc/54/77/79/669547779.db2.gz VWYIRQIIGGZFKD-KBPBESRZSA-N 1 3 316.442 0.637 20 0 DCADHO CCOC(=O)C1([C@H](C)NC[C@H](O)C[N@@H+](C)CC)CCOCC1 ZINC000933884942 669547782 /nfs/dbraw/zinc/54/77/82/669547782.db2.gz VWYIRQIIGGZFKD-KBPBESRZSA-N 1 3 316.442 0.637 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)CC3OCCO3)CC2)CC1 ZINC000793300855 669713180 /nfs/dbraw/zinc/71/31/80/669713180.db2.gz ZARRPVJWRGQJFW-UHFFFAOYSA-N 1 3 311.426 0.424 20 0 DCADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)C1CC1 ZINC000793727485 669738893 /nfs/dbraw/zinc/73/88/93/669738893.db2.gz TZDRGVOOLBFMHV-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)C1CC1 ZINC000793727485 669738897 /nfs/dbraw/zinc/73/88/97/669738897.db2.gz TZDRGVOOLBFMHV-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(N)=O)cc1 ZINC000855346038 670700481 /nfs/dbraw/zinc/70/04/81/670700481.db2.gz MGHYSLKUZUDAGD-ZDUSSCGKSA-N 1 3 320.437 0.787 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(N)=O)cc1 ZINC000855346038 670700485 /nfs/dbraw/zinc/70/04/85/670700485.db2.gz MGHYSLKUZUDAGD-ZDUSSCGKSA-N 1 3 320.437 0.787 20 0 DCADHO CCNC(=O)C1(CNC(=[NH2+])NC[C@H]2CCCN2CC)CCC1 ZINC000849022272 670750706 /nfs/dbraw/zinc/75/07/06/670750706.db2.gz NMAKLPVVRZVVTF-CYBMUJFWSA-N 1 3 309.458 0.891 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NC[C@H]1CCOC1 ZINC000849276173 670772532 /nfs/dbraw/zinc/77/25/32/670772532.db2.gz AUNUWCWZCNQSFT-UONOGXRCSA-N 1 3 316.515 0.759 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NC[C@H]1CCOC1 ZINC000849276173 670772535 /nfs/dbraw/zinc/77/25/35/670772535.db2.gz AUNUWCWZCNQSFT-UONOGXRCSA-N 1 3 316.515 0.759 20 0 DCADHO CN(CCC[NH+](C)C)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849577828 670819782 /nfs/dbraw/zinc/81/97/82/670819782.db2.gz SWGUGSMBAZTQAA-JKSUJKDBSA-N 1 3 321.469 0.866 20 0 DCADHO C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)[C@H](C[NH3+])C1 ZINC000851657038 671005490 /nfs/dbraw/zinc/00/54/90/671005490.db2.gz TZVCPJIOFBHRJI-QPSCCSFWSA-N 1 3 310.442 0.618 20 0 DCADHO O=C1CCCCN1[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852745098 671154969 /nfs/dbraw/zinc/15/49/69/671154969.db2.gz OPLNLCBTDKTTDE-CABCVRRESA-N 1 3 307.438 0.984 20 0 DCADHO C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCCCC1 ZINC000852793342 671160538 /nfs/dbraw/zinc/16/05/38/671160538.db2.gz YAQCRAFOBIMFNE-ZDUSSCGKSA-N 1 3 320.441 0.807 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC000820081112 671163424 /nfs/dbraw/zinc/16/34/24/671163424.db2.gz UHAQTZPAGMNTIP-OFQRWUPVSA-N 1 3 312.458 0.282 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC000820081112 671163429 /nfs/dbraw/zinc/16/34/29/671163429.db2.gz UHAQTZPAGMNTIP-OFQRWUPVSA-N 1 3 312.458 0.282 20 0 DCADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)CN1Cc1ccccc1 ZINC000852869381 671180350 /nfs/dbraw/zinc/18/03/50/671180350.db2.gz DSQHNCJCARLHAM-YUELXQCFSA-N 1 3 316.405 0.869 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@H+](C)C1 ZINC000853683787 671258847 /nfs/dbraw/zinc/25/88/47/671258847.db2.gz VQMQILIGTVSJDK-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO CCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@@H+](C)C1 ZINC000853683787 671258849 /nfs/dbraw/zinc/25/88/49/671258849.db2.gz VQMQILIGTVSJDK-SOUVJXGZSA-N 1 3 310.442 0.585 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](CC[S@](C)=O)CC2)CC1 ZINC000828257013 671548679 /nfs/dbraw/zinc/54/86/79/671548679.db2.gz NLXNDJISDFEEGN-FQEVSTJZSA-N 1 3 301.500 0.714 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841790314 671955501 /nfs/dbraw/zinc/95/55/01/671955501.db2.gz CUIIRPUUKPCZQN-RRFJBIMHSA-N 1 3 308.426 0.386 20 0 DCADHO CC[NH+](CC)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000887580272 685405775 /nfs/dbraw/zinc/40/57/75/685405775.db2.gz RIYFJOBGRIONDG-CYBMUJFWSA-N 1 3 313.446 0.090 20 0 DCADHO CC[NH+](CC)CCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000887580273 685406117 /nfs/dbraw/zinc/40/61/17/685406117.db2.gz RIYFJOBGRIONDG-ZDUSSCGKSA-N 1 3 313.446 0.090 20 0 DCADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001649061882 1158628624 /nfs/dbraw/zinc/62/86/24/1158628624.db2.gz CKOIMPRGGZXUDL-ZWUHOBOKSA-N 1 3 311.426 0.312 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCO)C1 ZINC001024477422 693808634 /nfs/dbraw/zinc/80/86/34/693808634.db2.gz LTIHPNBJNFYOKN-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCO)C1 ZINC001024477422 693808638 /nfs/dbraw/zinc/80/86/38/693808638.db2.gz LTIHPNBJNFYOKN-JKSUJKDBSA-N 1 3 311.470 0.927 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2CCn2cccn2)C1 ZINC001024802486 693833684 /nfs/dbraw/zinc/83/36/84/693833684.db2.gz WDLGPLZYLVDRGD-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2CCn2cccn2)C1 ZINC001024802486 693833689 /nfs/dbraw/zinc/83/36/89/693833689.db2.gz WDLGPLZYLVDRGD-HZPDHXFCSA-N 1 3 319.453 0.806 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(C(=O)CN3CCCC3)C2)C1 ZINC000955340992 686372131 /nfs/dbraw/zinc/37/21/31/686372131.db2.gz MVDRNUBIYUKTEY-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(C(=O)CN3CCCC3)C2)C1 ZINC000955340992 686372139 /nfs/dbraw/zinc/37/21/39/686372139.db2.gz MVDRNUBIYUKTEY-AWEZNQCLSA-N 1 3 322.453 0.093 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000956021810 686597864 /nfs/dbraw/zinc/59/78/64/686597864.db2.gz RIYIGWMSKBFUIF-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C(=O)CN2CCCC2)C1 ZINC000956021810 686597868 /nfs/dbraw/zinc/59/78/68/686597868.db2.gz RIYIGWMSKBFUIF-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2C[C@H]2CCCOC2)CC1 ZINC001038664340 694154590 /nfs/dbraw/zinc/15/45/90/694154590.db2.gz SYAZHUWTZMPBEN-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO O=C(N[C@@H]1Cc2ccccc2[C@H]1NCCO)C12CC[NH+](CC1)C2 ZINC000960326733 688350614 /nfs/dbraw/zinc/35/06/14/688350614.db2.gz JIKKUMPUQCAMKF-HZPDHXFCSA-N 1 3 315.417 0.446 20 0 DCADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961277416 688586202 /nfs/dbraw/zinc/58/62/02/688586202.db2.gz FVOVEMVRHRYJRW-VCAPWORMSA-N 1 3 305.422 0.306 20 0 DCADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961277416 688586206 /nfs/dbraw/zinc/58/62/06/688586206.db2.gz FVOVEMVRHRYJRW-VCAPWORMSA-N 1 3 305.422 0.306 20 0 DCADHO CC(C)[NH2+]CC1CC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000962103531 688813474 /nfs/dbraw/zinc/81/34/74/688813474.db2.gz OEBBTFQBRDSTJE-UZZMVUAXSA-N 1 3 307.438 0.742 20 0 DCADHO C[C@@H]1CC[N@H+](CC(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962310620 688880762 /nfs/dbraw/zinc/88/07/62/688880762.db2.gz ZXRJRXJYLNKYMM-PNESKVBLSA-N 1 3 323.466 0.864 20 0 DCADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CC(CNCc3cnns3)C2)C1 ZINC000962310620 688880765 /nfs/dbraw/zinc/88/07/65/688880765.db2.gz ZXRJRXJYLNKYMM-PNESKVBLSA-N 1 3 323.466 0.864 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001039159363 694314583 /nfs/dbraw/zinc/31/45/83/694314583.db2.gz LLJRMFVPQSFZPF-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001039159363 694314589 /nfs/dbraw/zinc/31/45/89/694314589.db2.gz LLJRMFVPQSFZPF-HOTGVXAUSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@@H](O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160734 694315232 /nfs/dbraw/zinc/31/52/32/694315232.db2.gz DNUGEWZSWRKTOC-UKRRQHHQSA-N 1 3 320.437 0.894 20 0 DCADHO C[C@@H](O)C[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001039160734 694315236 /nfs/dbraw/zinc/31/52/36/694315236.db2.gz DNUGEWZSWRKTOC-UKRRQHHQSA-N 1 3 320.437 0.894 20 0 DCADHO C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCN(CCCO)C2)cc1 ZINC001015713627 692413080 /nfs/dbraw/zinc/41/30/80/692413080.db2.gz PZOXBNJMDMVIML-KRWDZBQOSA-N 1 3 319.449 0.977 20 0 DCADHO COCCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015969437 692528347 /nfs/dbraw/zinc/52/83/47/692528347.db2.gz BTOALAPPBDFMJU-INIZCTEOSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018857064 693264808 /nfs/dbraw/zinc/26/48/08/693264808.db2.gz QKDNOMRGSKFYHO-GOEBONIOSA-N 1 3 317.437 0.452 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001018938633 693289169 /nfs/dbraw/zinc/28/91/69/693289169.db2.gz WESJJYKRNGNLBM-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cncn2C)C1 ZINC001018938633 693289173 /nfs/dbraw/zinc/28/91/73/693289173.db2.gz WESJJYKRNGNLBM-GOEBONIOSA-N 1 3 319.453 0.985 20 0 DCADHO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H](NCCF)C1 ZINC001018963383 693299109 /nfs/dbraw/zinc/29/91/09/693299109.db2.gz MGKBFVKVTQJMRG-ZFWWWQNUSA-N 1 3 313.417 0.790 20 0 DCADHO O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@H](NCCF)C1 ZINC001018963383 693299112 /nfs/dbraw/zinc/29/91/12/693299112.db2.gz MGKBFVKVTQJMRG-ZFWWWQNUSA-N 1 3 313.417 0.790 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1)N(C)C ZINC001019033293 693329959 /nfs/dbraw/zinc/32/99/59/693329959.db2.gz HSXSVTYXYSKFFI-LSDHHAIUSA-N 1 3 324.469 0.530 20 0 DCADHO Cn1cncc1CN[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001019088205 693350636 /nfs/dbraw/zinc/35/06/36/693350636.db2.gz NZVRGBMLHGLYQB-AWEZNQCLSA-N 1 3 317.437 0.739 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001019241597 693404645 /nfs/dbraw/zinc/40/46/45/693404645.db2.gz MRDKTRYNZJTHBR-MELADBBJSA-N 1 3 318.425 0.050 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1)N(C)C ZINC001019394260 693460821 /nfs/dbraw/zinc/46/08/21/693460821.db2.gz CHFSUHMGYKUZNU-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CCOC1CC(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001019438882 693475057 /nfs/dbraw/zinc/47/50/57/693475057.db2.gz VXOUAXFNXCIRFQ-OWYJLGKBSA-N 1 3 306.410 0.958 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001020172094 693721083 /nfs/dbraw/zinc/72/10/83/693721083.db2.gz LULBBTAEGGPXAE-IXYNUQLISA-N 1 3 317.437 0.862 20 0 DCADHO Cc1cnc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001020172094 693721086 /nfs/dbraw/zinc/72/10/86/693721086.db2.gz LULBBTAEGGPXAE-IXYNUQLISA-N 1 3 317.437 0.862 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2)N(C)C ZINC001072990116 694692152 /nfs/dbraw/zinc/69/21/52/694692152.db2.gz RXYBXOFBWXJBHJ-AWEZNQCLSA-N 1 3 320.441 0.153 20 0 DCADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2)N(C)C ZINC001072990116 694692153 /nfs/dbraw/zinc/69/21/53/694692153.db2.gz RXYBXOFBWXJBHJ-AWEZNQCLSA-N 1 3 320.441 0.153 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074564882 694908227 /nfs/dbraw/zinc/90/82/27/694908227.db2.gz IEKWDIRSVNHQRN-SOUVJXGZSA-N 1 3 322.453 0.282 20 0 DCADHO CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070650 694996998 /nfs/dbraw/zinc/99/69/98/694996998.db2.gz UAFQBJRLZTXCLS-IIQDSTNVSA-N 1 3 305.422 0.402 20 0 DCADHO CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070650 694996999 /nfs/dbraw/zinc/99/69/99/694996999.db2.gz UAFQBJRLZTXCLS-IIQDSTNVSA-N 1 3 305.422 0.402 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001076596729 695031515 /nfs/dbraw/zinc/03/15/15/695031515.db2.gz NTBHOJIKQQGORX-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001076596729 695031516 /nfs/dbraw/zinc/03/15/16/695031516.db2.gz NTBHOJIKQQGORX-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)c1 ZINC001076604255 695032284 /nfs/dbraw/zinc/03/22/84/695032284.db2.gz USINCERXTOFXGW-DLBZAZTESA-N 1 3 317.433 0.887 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)c1 ZINC001076604255 695032285 /nfs/dbraw/zinc/03/22/85/695032285.db2.gz USINCERXTOFXGW-DLBZAZTESA-N 1 3 317.433 0.887 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001076924425 695100482 /nfs/dbraw/zinc/10/04/82/695100482.db2.gz NLFZDAQRFWWGKN-AWEZNQCLSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001076952194 695107400 /nfs/dbraw/zinc/10/74/00/695107400.db2.gz QEKMFVSEAZBXQH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001076952194 695107403 /nfs/dbraw/zinc/10/74/03/695107403.db2.gz QEKMFVSEAZBXQH-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001691324636 1157642574 /nfs/dbraw/zinc/64/25/74/1157642574.db2.gz OJXMTTAXGKEXKU-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C(=O)CNCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001691324636 1157642578 /nfs/dbraw/zinc/64/25/78/1157642578.db2.gz OJXMTTAXGKEXKU-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCNC(=O)CC1)N(C)C ZINC001691479480 1157798538 /nfs/dbraw/zinc/79/85/38/1157798538.db2.gz TZNQMVLXEMDCFM-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)[C@@H]2C1 ZINC001648944146 1158013571 /nfs/dbraw/zinc/01/35/71/1158013571.db2.gz XQOPZYLDUVZJDP-RBZJEDDUSA-N 1 3 322.453 0.489 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)[C@@H]2C1 ZINC001648944146 1158013576 /nfs/dbraw/zinc/01/35/76/1158013576.db2.gz XQOPZYLDUVZJDP-RBZJEDDUSA-N 1 3 322.453 0.489 20 0 DCADHO CC(C)[C@H](CNC(=O)[C@H]1CNCCN1C)[NH+]1CCC(C)CC1 ZINC001648966352 1158192517 /nfs/dbraw/zinc/19/25/17/1158192517.db2.gz YYZWSDAVCGSGSE-JKSUJKDBSA-N 1 3 310.486 0.763 20 0 DCADHO CN(C(=O)C[C@@H](O)C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC001648969981 1158198860 /nfs/dbraw/zinc/19/88/60/1158198860.db2.gz UXIPCTYAPAYKFM-MRXNPFEDSA-N 1 3 320.437 0.257 20 0 DCADHO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CNC[C@H]2CCCO2)C1 ZINC001649102297 1158641231 /nfs/dbraw/zinc/64/12/31/1158641231.db2.gz BNGZWCBZVZAHDO-NUJGCVRESA-N 1 3 317.433 0.930 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC001446425162 1159409648 /nfs/dbraw/zinc/40/96/48/1159409648.db2.gz WHJMGZOFENAPFI-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CN(CC(=O)N1CCCN(C(=O)CC[NH+](C)C)CC1)C1CCC1 ZINC001446697994 1159505278 /nfs/dbraw/zinc/50/52/78/1159505278.db2.gz PERMENAKKXPKRZ-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CCN(CC)C(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001447262838 1159605946 /nfs/dbraw/zinc/60/59/46/1159605946.db2.gz HBTYDBSTYFDVLL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC)C(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001447262838 1159605950 /nfs/dbraw/zinc/60/59/50/1159605950.db2.gz HBTYDBSTYFDVLL-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCn2cncn2)CC1(C)C ZINC001447594697 1159667980 /nfs/dbraw/zinc/66/79/80/1159667980.db2.gz ZMJNOAQCSKIUHL-CQSZACIVSA-N 1 3 322.457 0.447 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1)CC(C)(C)C ZINC001567103278 1160242167 /nfs/dbraw/zinc/24/21/67/1160242167.db2.gz YZESUQXHVRWLDK-AWEZNQCLSA-N 1 3 315.458 0.164 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC[C@H]1CCCCO1 ZINC001568589777 1160696625 /nfs/dbraw/zinc/69/66/25/1160696625.db2.gz SVHBOJYSGXEHCA-UONOGXRCSA-N 1 3 324.425 0.287 20 0 DCADHO CCN(CC[NH2+]C[C@@H]1CCc2ncnn21)C(=O)CN1CCCC1 ZINC001568797626 1160778111 /nfs/dbraw/zinc/77/81/11/1160778111.db2.gz JLTZKZBQUIDBGY-AWEZNQCLSA-N 1 3 320.441 0.299 20 0 DCADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H](O)CC(F)(F)F ZINC001568827181 1160793061 /nfs/dbraw/zinc/79/30/61/1160793061.db2.gz KSRUPGXVBSNOLC-JDEDCZITSA-N 1 3 323.359 0.656 20 0 DCADHO CCCNC(=O)[C@@H](C)NC/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001568911473 1160862423 /nfs/dbraw/zinc/86/24/23/1160862423.db2.gz FHLJCBOMLYIOHF-VBROQKIQSA-N 1 3 324.469 0.505 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cccn1 ZINC001569038873 1160924751 /nfs/dbraw/zinc/92/47/51/1160924751.db2.gz SJHVSMQORJYEKS-CABCVRRESA-N 1 3 307.442 0.852 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O)N(C)C ZINC001569561951 1161149862 /nfs/dbraw/zinc/14/98/62/1161149862.db2.gz ABIBSEPJCVRVJM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CCOCC[NH2+]C[C@H]1CN(C(=O)CN2CC[C@H](C)C2)CCO1 ZINC001570152982 1161453906 /nfs/dbraw/zinc/45/39/06/1161453906.db2.gz BLABGVFFUPENCQ-GJZGRUSLSA-N 1 3 313.442 0.182 20 0 DCADHO CC(C)[NH+]1CCC(C(=O)N2CCO[C@H](CNCCF)C2)CC1 ZINC001570157646 1161455570 /nfs/dbraw/zinc/45/55/70/1161455570.db2.gz KWBDFMKFWWJIKB-OAHLLOKOSA-N 1 3 315.433 0.893 20 0 DCADHO O=C(NC1(CNCCF)CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001570301051 1161555656 /nfs/dbraw/zinc/55/56/56/1161555656.db2.gz IHJOWYYIIRWZMC-CQSZACIVSA-N 1 3 313.417 0.553 20 0 DCADHO CCCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN(C)C1 ZINC001577488868 1164701885 /nfs/dbraw/zinc/70/18/85/1164701885.db2.gz KWIGSALERPLPBZ-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CCNC(=O)C1(CNC[C@@H](C[NH3+])Cc2cnn(C)c2C)CCC1 ZINC001577785806 1164794788 /nfs/dbraw/zinc/79/47/88/1164794788.db2.gz TWENBHRGZKNYPH-CQSZACIVSA-N 1 3 321.469 0.742 20 0 DCADHO CCNC(=O)C1(C[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CCC1 ZINC001577785806 1164794795 /nfs/dbraw/zinc/79/47/95/1164794795.db2.gz TWENBHRGZKNYPH-CQSZACIVSA-N 1 3 321.469 0.742 20 0 DCADHO CN(CCO)CCN(C)C(=O)C1CC2(C1)C[C@H]([NH3+])CCS2 ZINC001578473169 1165029618 /nfs/dbraw/zinc/02/96/18/1165029618.db2.gz JWTFQPITBISTFF-JVWICGRDSA-N 1 3 315.483 0.372 20 0 DCADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)O)C1 ZINC001578481467 1165032606 /nfs/dbraw/zinc/03/26/06/1165032606.db2.gz VSWWROAJAHAUSJ-JKSUJKDBSA-N 1 3 319.449 0.860 20 0 DCADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)O)C1 ZINC001578481467 1165032611 /nfs/dbraw/zinc/03/26/11/1165032611.db2.gz VSWWROAJAHAUSJ-JKSUJKDBSA-N 1 3 319.449 0.860 20 0 DCADHO CN1C[C@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)OC1=O ZINC001578520920 1165040497 /nfs/dbraw/zinc/04/04/97/1165040497.db2.gz IYRVWNQFBWPEFJ-QLFBSQMISA-N 1 3 308.426 0.338 20 0 DCADHO C[NH2+]CCn1c(C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001578720744 1165090766 /nfs/dbraw/zinc/09/07/66/1165090766.db2.gz IJTRNRIMBGENSM-CYBMUJFWSA-N 1 3 322.457 0.495 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC001578786671 1165110422 /nfs/dbraw/zinc/11/04/22/1165110422.db2.gz CLIXJCSPQQJUDE-UONOGXRCSA-N 1 3 311.426 0.505 20 0 DCADHO COc1ccc2c(c1)C[C@H](CN(C)CCN1CC[NH2+]CC1)O2 ZINC001579243408 1165249777 /nfs/dbraw/zinc/24/97/77/1165249777.db2.gz CJEGWWXQOOUDAU-MRXNPFEDSA-N 1 3 305.422 0.836 20 0 DCADHO COc1cccc(CN2CCC(NC(=O)COCC[NH3+])CC2)c1 ZINC001579277291 1165259526 /nfs/dbraw/zinc/25/95/26/1165259526.db2.gz CINOXILOBQYGSE-UHFFFAOYSA-N 1 3 321.421 0.751 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC001580498124 1165622953 /nfs/dbraw/zinc/62/29/53/1165622953.db2.gz SKQSMQMQHGVINU-QGZVFWFLSA-N 1 3 309.454 0.968 20 0 DCADHO O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001580497509 1165623181 /nfs/dbraw/zinc/62/31/81/1165623181.db2.gz ATBJSXUPULXQIX-FUHWJXTLSA-N 1 3 317.433 0.882 20 0 DCADHO O=C(N[C@H]1CCC[C@@H]1N1CCC(O)CC1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580609873 1165656209 /nfs/dbraw/zinc/65/62/09/1165656209.db2.gz VPYYJTHMPUYYKN-DGVSKKNDSA-N 1 3 307.438 0.621 20 0 DCADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001646720758 1172490342 /nfs/dbraw/zinc/49/03/42/1172490342.db2.gz PLRANVCWZWLBRU-OAHLLOKOSA-N 1 3 308.470 0.615 20 0 DCADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC001647377354 1172851552 /nfs/dbraw/zinc/85/15/52/1172851552.db2.gz UTBRCVKFRBFHQZ-UHFFFAOYSA-N 1 3 322.453 0.318 20 0 DCADHO C[NH+](C)C[C@](C)(O)CNC[C@H](O)CC[C@@H](O)c1ccccc1 ZINC001647557805 1172971263 /nfs/dbraw/zinc/97/12/63/1172971263.db2.gz GEWXDHMMLJGDJK-BRWVUGGUSA-N 1 3 310.438 0.763 20 0 DCADHO [NH3+][C@@H]1CCOC2(CC(C(=O)Nc3cnc4c(c3)CNCC4)C2)C1 ZINC001650342164 1173581359 /nfs/dbraw/zinc/58/13/59/1173581359.db2.gz ZRLKMMOSPHJANO-UIORMTCPSA-N 1 3 316.405 0.952 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)c2cccc3c2OCCNC3)CCCO1 ZINC001650357831 1173589864 /nfs/dbraw/zinc/58/98/64/1173589864.db2.gz LWBWYEBSMWGJDE-ZDUSSCGKSA-N 1 3 305.378 0.358 20 0 DCADHO C[C@@]1(NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)CC[NH2+]C1 ZINC001650370486 1173598594 /nfs/dbraw/zinc/59/85/94/1173598594.db2.gz PYLDVWKTXUMZDP-MLGOLLRUSA-N 1 3 302.378 0.380 20 0 DCADHO CN(C)CCn1c2cc(C(=O)NCC3([NH3+])CC3)ccc2[nH]c1=O ZINC001650411065 1173626207 /nfs/dbraw/zinc/62/62/07/1173626207.db2.gz ZOJYEJHCNNOPFZ-UHFFFAOYSA-N 1 3 317.393 0.525 20 0 DCADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001650434574 1173640341 /nfs/dbraw/zinc/64/03/41/1173640341.db2.gz LQGUGUJMJCEEBN-ANQUJSFKSA-N 1 3 309.454 0.952 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001662686103 1174231922 /nfs/dbraw/zinc/23/19/22/1174231922.db2.gz WLHWNOZKDLHZNR-KGLIPLIRSA-N 1 3 308.430 0.056 20 0 DCADHO CN(CC[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)CN1CCCC1 ZINC001664369915 1174427290 /nfs/dbraw/zinc/42/72/90/1174427290.db2.gz PXHXMAPAOQDAQG-UHFFFAOYSA-N 1 3 318.421 0.429 20 0 DCADHO Cn1nncc1CNCC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001666140080 1174588976 /nfs/dbraw/zinc/58/89/76/1174588976.db2.gz PQIFJLXREUHQBL-CQSZACIVSA-N 1 3 322.457 0.485 20 0 DCADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCn2cncn2)CCC1 ZINC001666425142 1174603182 /nfs/dbraw/zinc/60/31/82/1174603182.db2.gz FNUAYEQQLUESPV-CQSZACIVSA-N 1 3 320.441 0.343 20 0 DCADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001667290099 1174674218 /nfs/dbraw/zinc/67/42/18/1174674218.db2.gz DVHQGVHETBQITH-GJZGRUSLSA-N 1 3 324.425 0.320 20 0 DCADHO CN1CCC[C@@H](NC/C=C/CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001669001305 1174875161 /nfs/dbraw/zinc/87/51/61/1174875161.db2.gz OSWRCPDNIJKPEI-ISZGNANSSA-N 1 3 322.453 0.211 20 0 DCADHO CN(CCCNCc1nccn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001670162352 1174988318 /nfs/dbraw/zinc/98/83/18/1174988318.db2.gz QTEOYVHZSLFFFA-UHFFFAOYSA-N 1 3 319.453 0.987 20 0 DCADHO CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC)C(N)=O ZINC001670357948 1175007510 /nfs/dbraw/zinc/00/75/10/1175007510.db2.gz XBMLDPCFEGUWHT-KBPBESRZSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(C)C(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001672762306 1175150752 /nfs/dbraw/zinc/15/07/52/1175150752.db2.gz VVLMDQDVLRFPHE-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001687053997 1176269953 /nfs/dbraw/zinc/26/99/53/1176269953.db2.gz CDBVBJULUBNZME-UHFFFAOYSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCCCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001692131621 1177422374 /nfs/dbraw/zinc/42/23/74/1177422374.db2.gz GAEJPAJSHNWSFM-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO COCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001699020734 1177776226 /nfs/dbraw/zinc/77/62/26/1177776226.db2.gz NVTCZJJRWSUNMM-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO COCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001699020734 1177776235 /nfs/dbraw/zinc/77/62/35/1177776235.db2.gz NVTCZJJRWSUNMM-DZGCQCFKSA-N 1 3 306.410 0.912 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699214920 1177948263 /nfs/dbraw/zinc/94/82/63/1177948263.db2.gz VYFBLEGCWBDFMC-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO CCN(CCNCc1cncn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001699214920 1177948271 /nfs/dbraw/zinc/94/82/71/1177948271.db2.gz VYFBLEGCWBDFMC-CQSZACIVSA-N 1 3 307.442 0.700 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CCO1 ZINC001700150488 1178498723 /nfs/dbraw/zinc/49/87/23/1178498723.db2.gz WUAORCDFWRJDAT-LSDHHAIUSA-N 1 3 313.442 0.323 20 0 DCADHO CCCN(C)CC(=O)NCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001703626557 1179619492 /nfs/dbraw/zinc/61/94/92/1179619492.db2.gz BPLRRQRXZAKXDH-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCCN(C)CC(=O)NCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001703626557 1179619497 /nfs/dbraw/zinc/61/94/97/1179619497.db2.gz BPLRRQRXZAKXDH-AWEZNQCLSA-N 1 3 312.458 0.245 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001720135669 1180537780 /nfs/dbraw/zinc/53/77/80/1180537780.db2.gz IWFOCCMXMQTHJM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001720135669 1180537786 /nfs/dbraw/zinc/53/77/86/1180537786.db2.gz IWFOCCMXMQTHJM-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CC)C1=O ZINC001713029786 1180637874 /nfs/dbraw/zinc/63/78/74/1180637874.db2.gz JIDCECIVBOPWQZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CC)C1=O ZINC001713029786 1180637877 /nfs/dbraw/zinc/63/78/77/1180637877.db2.gz JIDCECIVBOPWQZ-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)CCOCC(F)F ZINC001713458663 1180838259 /nfs/dbraw/zinc/83/82/59/1180838259.db2.gz XELHBMVKXRAJST-UHFFFAOYSA-N 1 3 319.396 0.945 20 0 DCADHO CN(C)c1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCN2C)ccn1 ZINC001713577844 1180935180 /nfs/dbraw/zinc/93/51/80/1180935180.db2.gz ICTZFDAUEZLGFT-HNNXBMFYSA-N 1 3 319.453 0.790 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCOCCO)CC1 ZINC001713777621 1181059916 /nfs/dbraw/zinc/05/99/16/1181059916.db2.gz UJFBCRXYQOBGDF-HNNXBMFYSA-N 1 3 313.442 0.012 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714724487 1181507094 /nfs/dbraw/zinc/50/70/94/1181507094.db2.gz OWTLDQWTPWVYND-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001714724487 1181507100 /nfs/dbraw/zinc/50/71/00/1181507100.db2.gz OWTLDQWTPWVYND-GDBMZVCRSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1ccnn1C)C(=O)CC1CC[NH+](C)CC1 ZINC001714761974 1181530227 /nfs/dbraw/zinc/53/02/27/1181530227.db2.gz AKMBDCYUFDJQQD-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001715137556 1181699177 /nfs/dbraw/zinc/69/91/77/1181699177.db2.gz NHQLLORFBMHXEM-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCN(C)C1=O ZINC001716294061 1182311221 /nfs/dbraw/zinc/31/12/21/1182311221.db2.gz PHXAFZSRZSTLLX-ZYOQUQOHSA-N 1 3 322.453 0.352 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CN[C@H]1CCN(C)C1=O ZINC001716294061 1182311225 /nfs/dbraw/zinc/31/12/25/1182311225.db2.gz PHXAFZSRZSTLLX-ZYOQUQOHSA-N 1 3 322.453 0.352 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O ZINC001716294058 1182311872 /nfs/dbraw/zinc/31/18/72/1182311872.db2.gz PHXAFZSRZSTLLX-DPOFCPOHSA-N 1 3 322.453 0.352 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O ZINC001716294058 1182311877 /nfs/dbraw/zinc/31/18/77/1182311877.db2.gz PHXAFZSRZSTLLX-DPOFCPOHSA-N 1 3 322.453 0.352 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCCOC1 ZINC001716370297 1182362085 /nfs/dbraw/zinc/36/20/85/1182362085.db2.gz UTLILUSUYFQPSC-SFAKSCPVSA-N 1 3 306.410 0.949 20 0 DCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O ZINC001716380001 1182366265 /nfs/dbraw/zinc/36/62/65/1182366265.db2.gz WSOMYJLIOIAVPS-JBZXTQMFSA-N 1 3 322.453 0.354 20 0 DCADHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O ZINC001716380001 1182366267 /nfs/dbraw/zinc/36/62/67/1182366267.db2.gz WSOMYJLIOIAVPS-JBZXTQMFSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)NC(=O)CN(C)C1CCC1 ZINC001716440295 1182391559 /nfs/dbraw/zinc/39/15/59/1182391559.db2.gz XLQHOGVJQWBHNF-ZDUSSCGKSA-N 1 3 307.442 0.541 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2nccn2C)CC[N@@H+]1C ZINC001716542053 1182433040 /nfs/dbraw/zinc/43/30/40/1182433040.db2.gz RIIJLQGAJFKHAA-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCCNCc2nccn2C)CC[N@H+]1C ZINC001716542053 1182433043 /nfs/dbraw/zinc/43/30/43/1182433043.db2.gz RIIJLQGAJFKHAA-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001717106730 1182679440 /nfs/dbraw/zinc/67/94/40/1182679440.db2.gz FHDUUQMQATXXHZ-HNNXBMFYSA-N 1 3 324.469 0.389 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001717185527 1182718220 /nfs/dbraw/zinc/71/82/20/1182718220.db2.gz BZHQYQCEAYFLJP-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)CC ZINC001753194968 1185177274 /nfs/dbraw/zinc/17/72/74/1185177274.db2.gz QHGKAELRGIHYQN-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)N(C)CC ZINC001753194968 1185177278 /nfs/dbraw/zinc/17/72/78/1185177278.db2.gz QHGKAELRGIHYQN-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CCCCCN1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001731370662 1185302809 /nfs/dbraw/zinc/30/28/09/1185302809.db2.gz OVFFULBTLOZREV-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CCCCCN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001731370662 1185302816 /nfs/dbraw/zinc/30/28/16/1185302816.db2.gz OVFFULBTLOZREV-MRXNPFEDSA-N 1 3 310.486 0.862 20 0 DCADHO CN(CC(=O)N(C)CC[NH2+]CCc1ccnn1C)CC(C)(C)C ZINC001731954221 1185603332 /nfs/dbraw/zinc/60/33/32/1185603332.db2.gz SNVNTWIJRXMTBE-UHFFFAOYSA-N 1 3 323.485 0.989 20 0 DCADHO COc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCN2C)n1 ZINC001732679970 1185914820 /nfs/dbraw/zinc/91/48/20/1185914820.db2.gz CCJPNSHYZNFRDY-JSGCOSHPSA-N 1 3 321.425 0.564 20 0 DCADHO C[C@@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001732727630 1185938883 /nfs/dbraw/zinc/93/88/83/1185938883.db2.gz APVOMXXEUZBJMP-CABCVRRESA-N 1 3 321.469 0.789 20 0 DCADHO Cc1nnsc1CNCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732752203 1185949961 /nfs/dbraw/zinc/94/99/61/1185949961.db2.gz ACFBCMVDFOJQKL-JQWIXIFHSA-N 1 3 311.455 0.783 20 0 DCADHO Cc1nnsc1CNCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001732752203 1185949965 /nfs/dbraw/zinc/94/99/65/1185949965.db2.gz ACFBCMVDFOJQKL-JQWIXIFHSA-N 1 3 311.455 0.783 20 0 DCADHO COc1cc(CNC/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001732934959 1186069101 /nfs/dbraw/zinc/06/91/01/1186069101.db2.gz UAWMOBQHMNUJBS-JZIMQPMSSA-N 1 3 318.421 0.804 20 0 DCADHO COc1cc(CNC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001732934959 1186069105 /nfs/dbraw/zinc/06/91/05/1186069105.db2.gz UAWMOBQHMNUJBS-JZIMQPMSSA-N 1 3 318.421 0.804 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCCNCc2ccn(C)n2)C1 ZINC001733126905 1186152362 /nfs/dbraw/zinc/15/23/62/1186152362.db2.gz SQQKXDLUOYYCFH-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCCNCc2ccn(C)n2)C1 ZINC001733126905 1186152365 /nfs/dbraw/zinc/15/23/65/1186152365.db2.gz SQQKXDLUOYYCFH-AWEZNQCLSA-N 1 3 307.442 0.700 20 0 DCADHO CN(CCC[NH2+]C[C@H]1C[C@]12CCOC2)C(=O)CN1CCCC1 ZINC001733143265 1186160431 /nfs/dbraw/zinc/16/04/31/1186160431.db2.gz GUFQOQPQWHGSKR-WBVHZDCISA-N 1 3 309.454 0.947 20 0 DCADHO C[C@]1(C[NH2+]CCn2cncn2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001733437775 1186271529 /nfs/dbraw/zinc/27/15/29/1186271529.db2.gz NASHXGGOJQXZCU-OAHLLOKOSA-N 1 3 317.397 0.072 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC/C=C\Cl)CC[N@H+]1C ZINC001734517460 1186672645 /nfs/dbraw/zinc/67/26/45/1186672645.db2.gz BQCBTCKOVHPGKW-QJUUANMTSA-N 1 3 317.861 0.878 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNC/C=C\Cl)CC[N@@H+]1C ZINC001734517460 1186672643 /nfs/dbraw/zinc/67/26/43/1186672643.db2.gz BQCBTCKOVHPGKW-QJUUANMTSA-N 1 3 317.861 0.878 20 0 DCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCNC(=O)CCC[NH+](C)C ZINC001736789988 1187107216 /nfs/dbraw/zinc/10/72/16/1187107216.db2.gz YAUFLRHVKBNWMY-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001738697148 1187631682 /nfs/dbraw/zinc/63/16/82/1187631682.db2.gz FVSJJYLEHXVDPD-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001771820441 1188339334 /nfs/dbraw/zinc/33/93/34/1188339334.db2.gz PSQFUTZTGAEHHQ-HZPDHXFCSA-N 1 3 307.438 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCc2ccnn2C)C1 ZINC001752958284 1188467470 /nfs/dbraw/zinc/46/74/70/1188467470.db2.gz LBHZKHHCZQAZQR-OAHLLOKOSA-N 1 3 321.469 0.743 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC(N)=O ZINC001753290715 1188558986 /nfs/dbraw/zinc/55/89/86/1188558986.db2.gz HGOBPUGGUYKXCF-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CC(C)N(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(N)=O ZINC001753290715 1188558989 /nfs/dbraw/zinc/55/89/89/1188558989.db2.gz HGOBPUGGUYKXCF-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CN(CCC[NH2+]CC(=O)N1CCCC1)C(=O)CN1CCCC1 ZINC001754413347 1188849456 /nfs/dbraw/zinc/84/94/56/1188849456.db2.gz LIRRYIQRLPRGFP-UHFFFAOYSA-N 1 3 310.442 0.143 20 0 DCADHO CN(C)Cc1cccc(C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)c1 ZINC001755016900 1188997344 /nfs/dbraw/zinc/99/73/44/1188997344.db2.gz GTHLORNYBKUQHD-INIZCTEOSA-N 1 3 321.421 0.171 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001755125380 1189030623 /nfs/dbraw/zinc/03/06/23/1189030623.db2.gz VDOCULBUVUHHRI-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CN(C[C@H](O)CNC/C=C\Cl)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755779676 1189209445 /nfs/dbraw/zinc/20/94/45/1189209445.db2.gz NZOJGFAJRBVHPT-UQYDRJLZSA-N 1 3 315.845 0.490 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNC(=O)CN(C)C1CCC1 ZINC001758032062 1189689904 /nfs/dbraw/zinc/68/99/04/1189689904.db2.gz KDKZYBVGWQFMNH-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1CCN(C2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001772472600 1190694269 /nfs/dbraw/zinc/69/42/69/1190694269.db2.gz XDDMBAJGZWILNG-MRXNPFEDSA-N 1 3 308.470 0.708 20 0 DCADHO CCN1CCN(C2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001772472600 1190694271 /nfs/dbraw/zinc/69/42/71/1190694271.db2.gz XDDMBAJGZWILNG-MRXNPFEDSA-N 1 3 308.470 0.708 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2c[nH]nn2)C(C)(C)C1 ZINC001576517557 1164373698 /nfs/dbraw/zinc/37/36/98/1164373698.db2.gz OUKNADCABAGWGL-ZDUSSCGKSA-N 1 3 308.430 0.473 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2c[nH]nn2)C(C)(C)C1 ZINC001576517557 1164373700 /nfs/dbraw/zinc/37/37/00/1164373700.db2.gz OUKNADCABAGWGL-ZDUSSCGKSA-N 1 3 308.430 0.473 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480075 751414673 /nfs/dbraw/zinc/41/46/73/751414673.db2.gz IEMGBZSBQRKGBM-DZGCQCFKSA-N 1 3 324.469 0.289 20 0 DCADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001127481173 751417125 /nfs/dbraw/zinc/41/71/25/751417125.db2.gz QMXAOTJVIWGLDV-HNNXBMFYSA-N 1 3 322.453 0.045 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC001127779676 752064368 /nfs/dbraw/zinc/06/43/68/752064368.db2.gz PWPBQCADQYXSNW-TZMCWYRMSA-N 1 3 324.450 0.521 20 0 DCADHO Cc1ncc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC001127779676 752064377 /nfs/dbraw/zinc/06/43/77/752064377.db2.gz PWPBQCADQYXSNW-TZMCWYRMSA-N 1 3 324.450 0.521 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC(=O)N(C)C)CC1 ZINC001167223846 747025973 /nfs/dbraw/zinc/02/59/73/747025973.db2.gz BMXFEMNJMVBTNY-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC(=O)N(C)C)CC2)C1 ZINC001167232618 747031750 /nfs/dbraw/zinc/03/17/50/747031750.db2.gz KFTGBQDELFGBFN-AWEZNQCLSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)C(N)=O ZINC001104294291 747136061 /nfs/dbraw/zinc/13/60/61/747136061.db2.gz IAOCYGHDRKQAHB-HZSPNIEDSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C)C(N)=O ZINC001167634054 747439119 /nfs/dbraw/zinc/43/91/19/747439119.db2.gz DKQAHZGFBJZXNU-KGLIPLIRSA-N 1 3 312.458 0.609 20 0 DCADHO COc1ccc(CNC2CC(CNC(=O)CC[NH+](C)C)C2)nn1 ZINC001100636787 747503665 /nfs/dbraw/zinc/50/36/65/747503665.db2.gz KMRWDLCUFKNHQN-UHFFFAOYSA-N 1 3 321.425 0.421 20 0 DCADHO CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676675 747594976 /nfs/dbraw/zinc/59/49/76/747594976.db2.gz RNCKAUMHIQEDNW-WLYUNCDWSA-N 1 3 324.469 0.480 20 0 DCADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001167815072 748369126 /nfs/dbraw/zinc/36/91/26/748369126.db2.gz ODDXWEUCJBKENY-UHFFFAOYSA-N 1 3 315.458 0.213 20 0 DCADHO COC(=O)[C@@H](CCC[NH3+])Nc1cnccc1N1CCOCC1 ZINC001167898839 748470921 /nfs/dbraw/zinc/47/09/21/748470921.db2.gz DPZNMDFOFKRGAX-GFCCVEGCSA-N 1 3 308.382 0.611 20 0 DCADHO CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046090 749206489 /nfs/dbraw/zinc/20/64/89/749206489.db2.gz BVIQNTDULAJAMW-OWQJAQGESA-N 1 3 319.449 0.650 20 0 DCADHO CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046090 749206492 /nfs/dbraw/zinc/20/64/92/749206492.db2.gz BVIQNTDULAJAMW-OWQJAQGESA-N 1 3 319.449 0.650 20 0 DCADHO COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095383 749236160 /nfs/dbraw/zinc/23/61/60/749236160.db2.gz LGGNIGJTHNAGSO-OWCLPIDISA-N 1 3 311.470 0.999 20 0 DCADHO COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095383 749236163 /nfs/dbraw/zinc/23/61/63/749236163.db2.gz LGGNIGJTHNAGSO-OWCLPIDISA-N 1 3 311.470 0.999 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC[N@@H+]1C ZINC001088316747 749365496 /nfs/dbraw/zinc/36/54/96/749365496.db2.gz IFXCSDPLCFSEPE-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)CC[N@H+]1C ZINC001088316747 749365501 /nfs/dbraw/zinc/36/55/01/749365501.db2.gz IFXCSDPLCFSEPE-QLFBSQMISA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001088326182 749369850 /nfs/dbraw/zinc/36/98/50/749369850.db2.gz JABPCNXLSLEILK-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2sccc2CN(C)C)CC[N@@H+]1CCO ZINC001088600195 749723393 /nfs/dbraw/zinc/72/33/93/749723393.db2.gz BEGNADJDFAWTCT-YPMHNXCESA-N 1 3 311.451 0.995 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)c2sccc2CN(C)C)CC[N@H+]1CCO ZINC001088600195 749723400 /nfs/dbraw/zinc/72/34/00/749723400.db2.gz BEGNADJDFAWTCT-YPMHNXCESA-N 1 3 311.451 0.995 20 0 DCADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001168345685 749926472 /nfs/dbraw/zinc/92/64/72/749926472.db2.gz SFKQUPHRZRBXER-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001101036364 749981798 /nfs/dbraw/zinc/98/17/98/749981798.db2.gz OEHAGPRRETVOPT-NRXISQOPSA-N 1 3 324.469 0.481 20 0 DCADHO CCCCN1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219300 750275589 /nfs/dbraw/zinc/27/55/89/750275589.db2.gz PQZVOJAHXPEOIG-HUUCEWRRSA-N 1 3 309.454 0.824 20 0 DCADHO O=C(N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O)C12CCCN1CCC2 ZINC001077299165 750329033 /nfs/dbraw/zinc/32/90/33/750329033.db2.gz RYJUCFOVNGOPNF-HZPDHXFCSA-N 1 3 321.465 0.966 20 0 DCADHO O=C(N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O)C12CCCN1CCC2 ZINC001077299165 750329036 /nfs/dbraw/zinc/32/90/36/750329036.db2.gz RYJUCFOVNGOPNF-HZPDHXFCSA-N 1 3 321.465 0.966 20 0 DCADHO CC[C@@H](C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C)N(C)C ZINC001077516194 750918231 /nfs/dbraw/zinc/91/82/31/750918231.db2.gz GPRGULGBJBQYNF-STQMWFEESA-N 1 3 300.447 0.289 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cn1 ZINC001127254561 750928558 /nfs/dbraw/zinc/92/85/58/750928558.db2.gz GAHDADDYVBGPQF-GJZGRUSLSA-N 1 3 305.426 0.500 20 0 DCADHO Cn1cc(CNCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cn1 ZINC001127254561 750928562 /nfs/dbraw/zinc/92/85/62/750928562.db2.gz GAHDADDYVBGPQF-GJZGRUSLSA-N 1 3 305.426 0.500 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]C[C@H](O)COC)[C@H](C)C1)N(C)C ZINC001106673628 751223051 /nfs/dbraw/zinc/22/30/51/751223051.db2.gz JIJJLJYLVWVCTE-KBXIAJHMSA-N 1 3 315.458 0.018 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC)[C@H](C)C1 ZINC001106784077 751277391 /nfs/dbraw/zinc/27/73/91/751277391.db2.gz AWVUODDHYBTEBB-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)[C@H](C)C1 ZINC001106784300 751277476 /nfs/dbraw/zinc/27/74/76/751277476.db2.gz GDWDPJOVLDWSDH-RBSFLKMASA-N 1 3 324.469 0.243 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cncn2C)CC[N@@H+]1C ZINC001045044141 753018673 /nfs/dbraw/zinc/01/86/73/753018673.db2.gz VIVBWZFQOJXTEP-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cncn2C)CC[N@H+]1C ZINC001045044141 753018678 /nfs/dbraw/zinc/01/86/78/753018678.db2.gz VIVBWZFQOJXTEP-IJEWVQPXSA-N 1 3 319.453 0.841 20 0 DCADHO Cn1nccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C ZINC001045093251 753044684 /nfs/dbraw/zinc/04/46/84/753044684.db2.gz SCBINGKCCSMTBY-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cn1 ZINC001045311212 753140381 /nfs/dbraw/zinc/14/03/81/753140381.db2.gz HJARUKPEZNTNOX-INIZCTEOSA-N 1 3 317.437 0.961 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCCO[C@@H](C[NH2+]CC2CCC2)C1 ZINC001078479131 753259687 /nfs/dbraw/zinc/25/96/87/753259687.db2.gz RRXOVWAHFPDSNJ-HNNXBMFYSA-N 1 3 306.410 0.959 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046063897 753457582 /nfs/dbraw/zinc/45/75/82/753457582.db2.gz BFTFSTAZHJABSS-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001046063897 753457585 /nfs/dbraw/zinc/45/75/85/753457585.db2.gz BFTFSTAZHJABSS-DLBZAZTESA-N 1 3 322.497 0.955 20 0 DCADHO CN(CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001046895695 754006429 /nfs/dbraw/zinc/00/64/29/754006429.db2.gz ZPEAEUQMAOWISJ-WMLDXEAASA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001047407887 754254744 /nfs/dbraw/zinc/25/47/44/754254744.db2.gz PWEJXARYWPOOMA-IKGGRYGDSA-N 1 3 323.481 0.878 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001047407887 754254747 /nfs/dbraw/zinc/25/47/47/754254747.db2.gz PWEJXARYWPOOMA-IKGGRYGDSA-N 1 3 323.481 0.878 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)CC ZINC001128774361 754267287 /nfs/dbraw/zinc/26/72/87/754267287.db2.gz QCASXJUVKXKPDK-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)N[C@H](C)CC ZINC001128774361 754267291 /nfs/dbraw/zinc/26/72/91/754267291.db2.gz QCASXJUVKXKPDK-KGLIPLIRSA-N 1 3 312.458 0.481 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001128786831 754288376 /nfs/dbraw/zinc/28/83/76/754288376.db2.gz WOUICKFKZZTXKH-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001128786831 754288381 /nfs/dbraw/zinc/28/83/81/754288381.db2.gz WOUICKFKZZTXKH-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)cc1 ZINC001083863947 754443486 /nfs/dbraw/zinc/44/34/86/754443486.db2.gz QCZPRPOPPDOBTQ-SJORKVTESA-N 1 3 317.433 0.933 20 0 DCADHO CC(C)CCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219246 754570401 /nfs/dbraw/zinc/57/04/01/754570401.db2.gz BLSSBVAWZHQYKV-CABCVRRESA-N 1 3 322.457 0.617 20 0 DCADHO C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063730 754598060 /nfs/dbraw/zinc/59/80/60/754598060.db2.gz FTAJKSCQCJAUHH-UONOGXRCSA-N 1 3 320.441 0.238 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C[NH2+]Cc1nccn1C ZINC001048478613 754769216 /nfs/dbraw/zinc/76/92/16/754769216.db2.gz YAJRKJYQPMOIBX-CABCVRRESA-N 1 3 319.453 0.700 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CCO[C@H]1CC1(F)F ZINC001168762485 754902837 /nfs/dbraw/zinc/90/28/37/754902837.db2.gz CQAWABFHHLBQFO-LBPRGKRZSA-N 1 3 307.385 0.848 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001168762501 754907379 /nfs/dbraw/zinc/90/73/79/754907379.db2.gz DFHHGKLMGDVVTB-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763114 755096854 /nfs/dbraw/zinc/09/68/54/755096854.db2.gz KBKJKENMDXCSHR-KGLIPLIRSA-N 1 3 314.474 0.727 20 0 DCADHO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(CC)CC ZINC001168763118 755098868 /nfs/dbraw/zinc/09/88/68/755098868.db2.gz KBKJKENMDXCSHR-UONOGXRCSA-N 1 3 314.474 0.727 20 0 DCADHO C[C@H]1CC[C@@H](C[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)O1 ZINC001049083857 755109298 /nfs/dbraw/zinc/10/92/98/755109298.db2.gz WWVPNMUYALEGGU-AYDFFVQHSA-N 1 3 318.421 0.910 20 0 DCADHO C[C@H]1CC[C@@H](C[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)O1 ZINC001049083857 755109300 /nfs/dbraw/zinc/10/93/00/755109300.db2.gz WWVPNMUYALEGGU-AYDFFVQHSA-N 1 3 318.421 0.910 20 0 DCADHO CC[C@@H](F)CN(CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467563 762363936 /nfs/dbraw/zinc/36/39/36/762363936.db2.gz IYOLZQNTXRLHOE-CQSZACIVSA-N 1 3 317.449 0.972 20 0 DCADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N(CC)C1CC1 ZINC001168763898 755362614 /nfs/dbraw/zinc/36/26/14/755362614.db2.gz TVMSISZKHBMBIE-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001072287143 762427248 /nfs/dbraw/zinc/42/72/48/762427248.db2.gz SCNDIIITHRKHMI-UONOGXRCSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001080443469 756215959 /nfs/dbraw/zinc/21/59/59/756215959.db2.gz NSRKCQXCITTZHH-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080532807 756239489 /nfs/dbraw/zinc/23/94/89/756239489.db2.gz YUPSKFOSCGJYFX-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080532807 756239493 /nfs/dbraw/zinc/23/94/93/756239493.db2.gz YUPSKFOSCGJYFX-OAHLLOKOSA-N 1 3 324.469 0.482 20 0 DCADHO CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080558128 756246274 /nfs/dbraw/zinc/24/62/74/756246274.db2.gz NCGYZDBBSUAUKZ-AWEZNQCLSA-N 1 3 324.469 0.482 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054197448 756403909 /nfs/dbraw/zinc/40/39/09/756403909.db2.gz BSZZBGNBKABMAR-RDJZCZTQSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054197448 756403916 /nfs/dbraw/zinc/40/39/16/756403916.db2.gz BSZZBGNBKABMAR-RDJZCZTQSA-N 1 3 309.454 0.778 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCn1cccn1 ZINC001054734093 756620224 /nfs/dbraw/zinc/62/02/24/756620224.db2.gz AEGITLLOOYNCPB-HOCLYGCPSA-N 1 3 319.453 0.804 20 0 DCADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC001082561649 757187798 /nfs/dbraw/zinc/18/77/98/757187798.db2.gz HUVZPQSUWUQJOY-BPLDGKMQSA-N 1 3 322.453 0.138 20 0 DCADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082698491 757233546 /nfs/dbraw/zinc/23/35/46/757233546.db2.gz JYTRZFHRYFCJQZ-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082698491 757233556 /nfs/dbraw/zinc/23/35/56/757233556.db2.gz JYTRZFHRYFCJQZ-MGPQQGTHSA-N 1 3 310.442 0.030 20 0 DCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnn2C)C1)N(C)C ZINC001082747559 757235353 /nfs/dbraw/zinc/23/53/53/757235353.db2.gz ZSLGQCLQXTVGRM-YUELXQCFSA-N 1 3 307.442 0.697 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCn1cncn1 ZINC001082740626 757252112 /nfs/dbraw/zinc/25/21/12/757252112.db2.gz AIAFNFNROCABHK-QLFBSQMISA-N 1 3 320.441 0.199 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC001082742057 757253233 /nfs/dbraw/zinc/25/32/33/757253233.db2.gz PLCOPPVBHFSCCY-IIAWOOMASA-N 1 3 319.453 0.698 20 0 DCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CCO ZINC001082743289 757253682 /nfs/dbraw/zinc/25/36/82/757253682.db2.gz RVAMGRCJACTHEV-XJKCOSOUSA-N 1 3 315.433 0.628 20 0 DCADHO CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084992563 758160191 /nfs/dbraw/zinc/16/01/91/758160191.db2.gz HDEIXRIMGCFQKF-PLQZLIEUSA-N 1 3 319.449 0.792 20 0 DCADHO CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084992563 758160196 /nfs/dbraw/zinc/16/01/96/758160196.db2.gz HDEIXRIMGCFQKF-PLQZLIEUSA-N 1 3 319.449 0.792 20 0 DCADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)N1CCCCC1 ZINC001085197585 758679781 /nfs/dbraw/zinc/67/97/81/758679781.db2.gz BDZDWDQZYPMLJK-ZIAGYGMSSA-N 1 3 324.469 0.753 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081461 759165458 /nfs/dbraw/zinc/16/54/58/759165458.db2.gz BQOPCXQLGQPLLM-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO CCCN1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081461 759165463 /nfs/dbraw/zinc/16/54/63/759165463.db2.gz BQOPCXQLGQPLLM-IRXDYDNUSA-N 1 3 322.497 0.957 20 0 DCADHO Cn1nccc1CNCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147822834 767852073 /nfs/dbraw/zinc/85/20/73/767852073.db2.gz BLTKIOUSUSKGQE-KBPBESRZSA-N 1 3 307.442 0.746 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001147824721 767853632 /nfs/dbraw/zinc/85/36/32/767853632.db2.gz NBTCSOXGLHSEHI-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878464 767873073 /nfs/dbraw/zinc/87/30/73/767873073.db2.gz ZKIBFLUXKZHMQA-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878464 767873081 /nfs/dbraw/zinc/87/30/81/767873081.db2.gz ZKIBFLUXKZHMQA-UONOGXRCSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147899962 767877741 /nfs/dbraw/zinc/87/77/41/767877741.db2.gz FASPPSQCWUNJMM-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147899962 767877747 /nfs/dbraw/zinc/87/77/47/767877747.db2.gz FASPPSQCWUNJMM-KBPBESRZSA-N 1 3 312.458 0.195 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900286 767880336 /nfs/dbraw/zinc/88/03/36/767880336.db2.gz LMDUBRIYGOBWOW-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900286 767880344 /nfs/dbraw/zinc/88/03/44/767880344.db2.gz LMDUBRIYGOBWOW-UONOGXRCSA-N 1 3 312.458 0.291 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1cnccn1 ZINC001086271514 759930683 /nfs/dbraw/zinc/93/06/83/759930683.db2.gz BULRFIGOTAXVGG-BYNSBNAKSA-N 1 3 317.437 0.974 20 0 DCADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1cnccn1 ZINC001086271514 759930690 /nfs/dbraw/zinc/93/06/90/759930690.db2.gz BULRFIGOTAXVGG-BYNSBNAKSA-N 1 3 317.437 0.974 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOCC)C[C@H]1O ZINC001100084267 760188839 /nfs/dbraw/zinc/18/88/39/760188839.db2.gz ZHKYOPMOQWOXNG-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOCC)C[C@H]1O ZINC001100084267 760188834 /nfs/dbraw/zinc/18/88/34/760188834.db2.gz ZHKYOPMOQWOXNG-HUUCEWRRSA-N 1 3 315.458 0.306 20 0 DCADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@]2(C[NH3+])CN3CCC2CC3)CO1 ZINC001169351376 760646386 /nfs/dbraw/zinc/64/63/86/760646386.db2.gz YSOGYXUFMJONQV-IJEWVQPXSA-N 1 3 311.426 0.110 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001148469702 767992506 /nfs/dbraw/zinc/99/25/06/767992506.db2.gz QRKYTNJHQIQXNO-UHFFFAOYSA-N 1 3 320.441 0.154 20 0 DCADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001148469702 767992508 /nfs/dbraw/zinc/99/25/08/767992508.db2.gz QRKYTNJHQIQXNO-UHFFFAOYSA-N 1 3 320.441 0.154 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc3nonc3c2)CCC1 ZINC001129356671 761001444 /nfs/dbraw/zinc/00/14/44/761001444.db2.gz FMOFNTBIDNTQJD-UHFFFAOYSA-N 1 3 317.393 0.913 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704959 761003134 /nfs/dbraw/zinc/00/31/34/761003134.db2.gz WBYZTKYXALKJIQ-GUTXKFCHSA-N 1 3 322.453 0.186 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)CCC1 ZINC001129358265 761005618 /nfs/dbraw/zinc/00/56/18/761005618.db2.gz RLSPBBCHDMKULG-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)CCC1 ZINC001129358266 761005724 /nfs/dbraw/zinc/00/57/24/761005724.db2.gz RLSPBBCHDMKULG-ZDUSSCGKSA-N 1 3 310.442 0.093 20 0 DCADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCN(C3CCC3)C2=O)CCC1 ZINC001129358935 761012946 /nfs/dbraw/zinc/01/29/46/761012946.db2.gz YZRGOXREYHZERS-CQSZACIVSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN(C)CC(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001148642016 768022347 /nfs/dbraw/zinc/02/23/47/768022347.db2.gz BTDPVLWLDVJSNG-UHFFFAOYSA-N 1 3 301.822 0.584 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cncn1C ZINC001070687973 761396628 /nfs/dbraw/zinc/39/66/28/761396628.db2.gz HRNRMHSRKBDECV-IIAWOOMASA-N 1 3 321.469 0.910 20 0 DCADHO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC[C@@H](N4CC=CC4)C3)[C@H]2C1 ZINC001123801848 768059773 /nfs/dbraw/zinc/05/97/73/768059773.db2.gz HPNSXNDZGXQLTQ-FZKCQIBNSA-N 1 3 304.438 0.982 20 0 DCADHO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)N3CC[C@@H](N4CC=CC4)C3)[C@H]2C1 ZINC001123801848 768059778 /nfs/dbraw/zinc/05/97/78/768059778.db2.gz HPNSXNDZGXQLTQ-FZKCQIBNSA-N 1 3 304.438 0.982 20 0 DCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCC(C)(C)CN2CCO)CC1 ZINC001099193551 762830415 /nfs/dbraw/zinc/83/04/15/762830415.db2.gz DRRSIVWYXKFZKJ-AWEZNQCLSA-N 1 3 311.470 0.927 20 0 DCADHO [NH3+]CCCC[NH2+]CCC[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001238878607 770140433 /nfs/dbraw/zinc/14/04/33/770140433.db2.gz BGTODOSXIUJLOJ-UHFFFAOYSA-N 1 3 320.846 0.732 20 0 DCADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC001129436838 762943612 /nfs/dbraw/zinc/94/36/12/762943612.db2.gz TYHIAQONXUUQOW-IAGOWNOFSA-N 1 3 319.449 0.636 20 0 DCADHO NCCS(=O)(=O)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001238913141 770146601 /nfs/dbraw/zinc/14/66/01/770146601.db2.gz RYKPHPCQFWUNRA-CYBMUJFWSA-N 1 3 301.456 0.685 20 0 DCADHO COc1cc(C[NH2+]CCNC(=O)CN(C)C2CCC2)ccn1 ZINC001129526392 762952191 /nfs/dbraw/zinc/95/21/91/762952191.db2.gz FHCQFVPSQOTBOB-UHFFFAOYSA-N 1 3 306.410 0.780 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCN(C(C)C)C1=O)[NH+](C)C ZINC001129949425 763055598 /nfs/dbraw/zinc/05/55/98/763055598.db2.gz CYSHZJOSICUTHU-KBPBESRZSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947131 763065503 /nfs/dbraw/zinc/06/55/03/763065503.db2.gz LBGBBPHZOUYGCZ-OCCSQVGLSA-N 1 3 300.447 0.193 20 0 DCADHO CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086996760 768113396 /nfs/dbraw/zinc/11/33/96/768113396.db2.gz TYTQZYKTVAEEIZ-VNQPRFMTSA-N 1 3 319.453 0.808 20 0 DCADHO CC(C)NC(=O)CNCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170355 763161208 /nfs/dbraw/zinc/16/12/08/763161208.db2.gz WYBZYIAEOFQJSF-UHFFFAOYSA-N 1 3 310.442 0.093 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173871 763163384 /nfs/dbraw/zinc/16/33/84/763163384.db2.gz RZMPZRZQVMANNQ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(CCOC2CCC2)C[C@@H]1O ZINC001099985371 763187346 /nfs/dbraw/zinc/18/73/46/763187346.db2.gz BTZATCMYEOCRRP-CABCVRRESA-N 1 3 313.442 0.059 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130421907 763296108 /nfs/dbraw/zinc/29/61/08/763296108.db2.gz OCMQIFYFEOQSFS-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421907 763296115 /nfs/dbraw/zinc/29/61/15/763296115.db2.gz OCMQIFYFEOQSFS-LBPRGKRZSA-N 1 3 300.447 0.337 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001130427237 763297906 /nfs/dbraw/zinc/29/79/06/763297906.db2.gz KMHHOJQRCJGBBR-LBPRGKRZSA-N 1 3 308.430 0.202 20 0 DCADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCn1nc(C)cc1C ZINC001130427610 763298185 /nfs/dbraw/zinc/29/81/85/763298185.db2.gz OCZZPKWGPKWIKL-UHFFFAOYSA-N 1 3 309.458 0.936 20 0 DCADHO CCN(CC)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001130431000 763300915 /nfs/dbraw/zinc/30/09/15/763300915.db2.gz NWXDLGDVJKRBGA-ZDUSSCGKSA-N 1 3 323.441 0.149 20 0 DCADHO CCN(CC)CC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1 ZINC001130431000 763300926 /nfs/dbraw/zinc/30/09/26/763300926.db2.gz NWXDLGDVJKRBGA-ZDUSSCGKSA-N 1 3 323.441 0.149 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N[C@@H](C)C(C)C ZINC001130419424 763306028 /nfs/dbraw/zinc/30/60/28/763306028.db2.gz ZXMHOPBXDJQLKM-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N[C@@H](C)C(C)C ZINC001130419424 763306036 /nfs/dbraw/zinc/30/60/36/763306036.db2.gz ZXMHOPBXDJQLKM-ZDUSSCGKSA-N 1 3 314.474 0.583 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCn2cccn2)C1 ZINC001100675911 763715392 /nfs/dbraw/zinc/71/53/92/763715392.db2.gz CFCILIBHMYPWIB-QQFBHYJXSA-N 1 3 319.453 0.852 20 0 DCADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCn2cncn2)C1 ZINC001100676656 763717500 /nfs/dbraw/zinc/71/75/00/763717500.db2.gz RJLGMVSUMMMWEW-NFOMZHRRSA-N 1 3 320.441 0.247 20 0 DCADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cnn(C)c2)C1)N(C)C ZINC001100683815 763722925 /nfs/dbraw/zinc/72/29/25/763722925.db2.gz TULKQWOFYPZZHF-ZALBZXLWSA-N 1 3 307.442 0.745 20 0 DCADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccnn2C)C1 ZINC001100900042 763847946 /nfs/dbraw/zinc/84/79/46/763847946.db2.gz NEXBFYPKHIGXOA-UHFFFAOYSA-N 1 3 307.442 0.746 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CCN(CCCO)C2)O1 ZINC001131682587 763935035 /nfs/dbraw/zinc/93/50/35/763935035.db2.gz QQLIQUDYJNWXHH-HOCLYGCPSA-N 1 3 313.442 0.012 20 0 DCADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790993 764013642 /nfs/dbraw/zinc/01/36/42/764013642.db2.gz YMDSZOHMYSLOST-DZGCQCFKSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790429 764014860 /nfs/dbraw/zinc/01/48/60/764014860.db2.gz NKOXBJDVPKUOJZ-CZUORRHYSA-N 1 3 324.469 0.481 20 0 DCADHO CCN(C(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001132286692 764359268 /nfs/dbraw/zinc/35/92/68/764359268.db2.gz MQTZVGIDYMESIX-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CN1CCO ZINC001132405871 764442033 /nfs/dbraw/zinc/44/20/33/764442033.db2.gz ARBSGXLQGVQMOO-KBPBESRZSA-N 1 3 313.442 0.059 20 0 DCADHO C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292343 764581498 /nfs/dbraw/zinc/58/14/98/764581498.db2.gz KDKYNGICJBFTFR-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCN(CC)C2=O)C1 ZINC001132738372 764616816 /nfs/dbraw/zinc/61/68/16/764616816.db2.gz AECXVTUAJQMIFC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCN(CC)C2=O)C1 ZINC001132738372 764616826 /nfs/dbraw/zinc/61/68/26/764616826.db2.gz AECXVTUAJQMIFC-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433597 764642979 /nfs/dbraw/zinc/64/29/79/764642979.db2.gz ALQGZTVPWOARLW-VNHYZAJKSA-N 1 3 324.469 0.276 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1C ZINC001102497212 764667795 /nfs/dbraw/zinc/66/77/95/764667795.db2.gz GXHTWQTZCACXKB-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1C ZINC001102497212 764667797 /nfs/dbraw/zinc/66/77/97/764667797.db2.gz GXHTWQTZCACXKB-MGPQQGTHSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102497239 764668725 /nfs/dbraw/zinc/66/87/25/764668725.db2.gz INDQZJSJONLGFU-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102497239 764668734 /nfs/dbraw/zinc/66/87/34/764668734.db2.gz INDQZJSJONLGFU-MCIONIFRSA-N 1 3 312.458 0.276 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888307 764710372 /nfs/dbraw/zinc/71/03/72/764710372.db2.gz MBWKCGGQFXMCMX-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596371 764718352 /nfs/dbraw/zinc/71/83/52/764718352.db2.gz BYJHGUDNCGOXQE-QLFBSQMISA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCO ZINC001133120818 764835511 /nfs/dbraw/zinc/83/55/11/764835511.db2.gz BJJONLZNDLWTBW-HUUCEWRRSA-N 1 3 311.470 0.785 20 0 DCADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCC1CCCCC1 ZINC001133290951 764909025 /nfs/dbraw/zinc/90/90/25/764909025.db2.gz FYQQWSODVQHJMD-UHFFFAOYSA-N 1 3 312.458 0.340 20 0 DCADHO CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294333 764911471 /nfs/dbraw/zinc/91/14/71/764911471.db2.gz CYNISOCMDVGIGF-GFCCVEGCSA-N 1 3 300.447 0.337 20 0 DCADHO CC[C@@H](C(=O)NCCN[C@H]1CCCN(C)C1=O)[NH+](CC)CC ZINC001133685686 765092841 /nfs/dbraw/zinc/09/28/41/765092841.db2.gz ZNWBPMFYSSZZLY-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCn1cc(CC[NH2+]CCNC(=O)CN2CCC[C@@H]2C)cn1 ZINC001133819888 765150776 /nfs/dbraw/zinc/15/07/76/765150776.db2.gz QLRBGAGEMSOGBB-AWEZNQCLSA-N 1 3 307.442 0.636 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001133845767 765178518 /nfs/dbraw/zinc/17/85/18/765178518.db2.gz MYRQOBYOGGLAHB-ZDUSSCGKSA-N 1 3 318.421 0.333 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001133845767 765178523 /nfs/dbraw/zinc/17/85/23/765178523.db2.gz MYRQOBYOGGLAHB-ZDUSSCGKSA-N 1 3 318.421 0.333 20 0 DCADHO COCCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856630 765182437 /nfs/dbraw/zinc/18/24/37/765182437.db2.gz MCZRUQKTBDFJOW-HNNXBMFYSA-N 1 3 303.422 0.941 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCN1CCCC1=O)CC(C)(C)C ZINC001133908036 765220207 /nfs/dbraw/zinc/22/02/07/765220207.db2.gz DYGHEIFYLFXZFU-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CN(CC(=O)NCC[NH2+]CCc1cnn(C)c1)CC(C)(C)C ZINC001133906028 765220632 /nfs/dbraw/zinc/22/06/32/765220632.db2.gz NNENANCDRZZAMC-UHFFFAOYSA-N 1 3 309.458 0.646 20 0 DCADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C ZINC001133962432 765257752 /nfs/dbraw/zinc/25/77/52/765257752.db2.gz JBTAWUGHINVLAL-HOTGVXAUSA-N 1 3 307.438 0.636 20 0 DCADHO CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133968130 765259754 /nfs/dbraw/zinc/25/97/54/765259754.db2.gz OWKIKRZGBFIVES-STQMWFEESA-N 1 3 300.447 0.337 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583357 765581230 /nfs/dbraw/zinc/58/12/30/765581230.db2.gz JPRCMQPQBHZIQQ-OLZOCXBDSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)CN(C)C1CCC1 ZINC001134607455 765599831 /nfs/dbraw/zinc/59/98/31/765599831.db2.gz HOFTUEPXFWLCGV-UONOGXRCSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001134763000 765659936 /nfs/dbraw/zinc/65/99/36/765659936.db2.gz JXHAMQSDNPPRHZ-ZIAGYGMSSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001134763000 765659941 /nfs/dbraw/zinc/65/99/41/765659941.db2.gz JXHAMQSDNPPRHZ-ZIAGYGMSSA-N 1 3 310.442 0.234 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001115303439 765685077 /nfs/dbraw/zinc/68/50/77/765685077.db2.gz CRQIUCUAWAIARX-AIANPOQGSA-N 1 3 309.454 0.942 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]21 ZINC001115303439 765685082 /nfs/dbraw/zinc/68/50/82/765685082.db2.gz CRQIUCUAWAIARX-AIANPOQGSA-N 1 3 309.454 0.942 20 0 DCADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCn1cncn1 ZINC001135436891 765932818 /nfs/dbraw/zinc/93/28/18/765932818.db2.gz FBFUFESXJGDUAK-UHFFFAOYSA-N 1 3 310.446 0.496 20 0 DCADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H]1CCCNC1=O)C(C)C ZINC001135477307 765950517 /nfs/dbraw/zinc/95/05/17/765950517.db2.gz BCBOBKXCPAZYMF-ZIAGYGMSSA-N 1 3 312.458 0.337 20 0 DCADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001135513145 765966067 /nfs/dbraw/zinc/96/60/67/765966067.db2.gz HLGSXRIMOTXDQI-OAHLLOKOSA-N 1 3 311.401 0.907 20 0 DCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCOC ZINC001135743261 766085275 /nfs/dbraw/zinc/08/52/75/766085275.db2.gz HPMKRXGZBMANFU-HUUCEWRRSA-N 1 3 317.474 0.864 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135743387 766085829 /nfs/dbraw/zinc/08/58/29/766085829.db2.gz JTNZKMPRMSSRCW-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001135976465 766197833 /nfs/dbraw/zinc/19/78/33/766197833.db2.gz JXVKMOPTYHFLJP-ZIAGYGMSSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001092658352 768363419 /nfs/dbraw/zinc/36/34/19/768363419.db2.gz QPLFRYULQNAUPK-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001092658352 768363427 /nfs/dbraw/zinc/36/34/27/768363427.db2.gz QPLFRYULQNAUPK-RBSFLKMASA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647874 766969950 /nfs/dbraw/zinc/96/99/50/766969950.db2.gz WROUQRPDMARMGS-KGLIPLIRSA-N 1 3 310.442 0.315 20 0 DCADHO CNC(=O)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120423687 767006027 /nfs/dbraw/zinc/00/60/27/767006027.db2.gz WLJPWSHPOUFGDE-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)c1ccccc1CN(C)C ZINC001146581477 767483357 /nfs/dbraw/zinc/48/33/57/767483357.db2.gz CDOHSHXWLNMKKO-CHWSQXEVSA-N 1 3 320.437 0.720 20 0 DCADHO CC(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CCCO)C2)N(C)C ZINC001121267322 767489424 /nfs/dbraw/zinc/48/94/24/767489424.db2.gz LKHUPBXLOUAYKR-LETWWHAPSA-N 1 3 311.470 0.972 20 0 DCADHO CC[C@@H]([NH2+]C1CC2(CC(NC(=O)[C@@H](CC)N(C)C)C2)C1)C(N)=O ZINC001121302131 767503469 /nfs/dbraw/zinc/50/34/69/767503469.db2.gz PBSUIEUFKBMXEG-FZOOGMQUSA-N 1 3 324.469 0.608 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC1CCCC1 ZINC001146710271 767509610 /nfs/dbraw/zinc/50/96/10/767509610.db2.gz IRHSRXKCHFKUIX-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC1CCCC1 ZINC001146710271 767509611 /nfs/dbraw/zinc/50/96/11/767509611.db2.gz IRHSRXKCHFKUIX-CYBMUJFWSA-N 1 3 312.458 0.481 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCNCc1ccc(C(=O)NC)cc1 ZINC001146718708 767511623 /nfs/dbraw/zinc/51/16/23/767511623.db2.gz FZLANUDFRHNMIL-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc(C(=O)NC)cc1 ZINC001146718708 767511629 /nfs/dbraw/zinc/51/16/29/767511629.db2.gz FZLANUDFRHNMIL-UHFFFAOYSA-N 1 3 320.437 0.594 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001121996703 767692836 /nfs/dbraw/zinc/69/28/36/767692836.db2.gz LDEBIZHACMULLY-GBJTYRQASA-N 1 3 322.453 0.186 20 0 DCADHO CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092936360 768427942 /nfs/dbraw/zinc/42/79/42/768427942.db2.gz CRWPEMOERITLNT-YUELXQCFSA-N 1 3 324.469 0.276 20 0 DCADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1nccn1C ZINC001093673827 768687501 /nfs/dbraw/zinc/68/75/01/768687501.db2.gz ZFLNKFBRINEBCV-RBSFLKMASA-N 1 3 319.453 0.698 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nccn2C)[C@H](C)C1)N(C)C ZINC001093859041 768752660 /nfs/dbraw/zinc/75/26/60/768752660.db2.gz MUKXJDUPNVHSKS-RBSFLKMASA-N 1 3 321.469 0.944 20 0 DCADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001149936530 768910548 /nfs/dbraw/zinc/91/05/48/768910548.db2.gz HRHPDJHUSUOWHR-AWEZNQCLSA-N 1 3 315.458 0.570 20 0 DCADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001149936530 768910555 /nfs/dbraw/zinc/91/05/55/768910555.db2.gz HRHPDJHUSUOWHR-AWEZNQCLSA-N 1 3 315.458 0.570 20 0 DCADHO O=C(CCC[NH+]1CCCCC1)NCCNCC(=O)NC1CC1 ZINC001151362631 769321764 /nfs/dbraw/zinc/32/17/64/769321764.db2.gz YTFNPDZNRRBQRB-UHFFFAOYSA-N 1 3 310.442 0.237 20 0 DCADHO Cc1noc(CCC[NH2+]CCNC(=O)CN2[C@H](C)CC[C@H]2C)n1 ZINC001152145872 769489724 /nfs/dbraw/zinc/48/97/24/769489724.db2.gz FTUPXALLMGACKZ-CHWSQXEVSA-N 1 3 323.441 0.889 20 0 DCADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCC(=O)NCC1CC1 ZINC001152138303 769490497 /nfs/dbraw/zinc/49/04/97/769490497.db2.gz UNYOQEJIUCRYDG-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO COCCOCC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152393225 769547058 /nfs/dbraw/zinc/54/70/58/769547058.db2.gz ICIRSYWYRHYDLL-UHFFFAOYSA-N 1 3 323.437 0.731 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1ccc2c(c1)CNC2=O ZINC001152780114 769639760 /nfs/dbraw/zinc/63/97/60/769639760.db2.gz GPHLYKKKZSIDLX-UHFFFAOYSA-N 1 3 317.393 0.607 20 0 DCADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1[nH]nc2cccnc21 ZINC001153165953 769739687 /nfs/dbraw/zinc/73/96/87/769739687.db2.gz SBILBOMJACHFQZ-UHFFFAOYSA-N 1 3 303.370 0.635 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175106083 769858988 /nfs/dbraw/zinc/85/89/88/769858988.db2.gz FAPXTXJQQZKGFU-DZGCQCFKSA-N 1 3 314.474 0.583 20 0 DCADHO COC(=O)[C@@H]1CN(Cc2cc(F)cc(CN(C)C)c2)C[C@@H]1[NH3+] ZINC001236359418 770008363 /nfs/dbraw/zinc/00/83/63/770008363.db2.gz VUVQDKLMNZHEMX-CABCVRRESA-N 1 3 309.385 0.819 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCC(=O)Nc2ccccc2)C1 ZINC001176072578 770011162 /nfs/dbraw/zinc/01/11/62/770011162.db2.gz YZZRMQXRPXRASF-AWEZNQCLSA-N 1 3 318.421 0.673 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)NCCCNCC(=O)Nc2ccccc2)C1 ZINC001176072578 770011174 /nfs/dbraw/zinc/01/11/74/770011174.db2.gz YZZRMQXRPXRASF-AWEZNQCLSA-N 1 3 318.421 0.673 20 0 DCADHO Cc1cnc([C@@H](C)NCCCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001176057501 770026008 /nfs/dbraw/zinc/02/60/08/770026008.db2.gz PFEVPFPBTOFESF-KGLIPLIRSA-N 1 3 305.426 0.894 20 0 DCADHO Cc1cnc([C@@H](C)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001176057501 770026023 /nfs/dbraw/zinc/02/60/23/770026023.db2.gz PFEVPFPBTOFESF-KGLIPLIRSA-N 1 3 305.426 0.894 20 0 DCADHO Cc1cnc(CNCCCNC(=O)[C@H](C)C[NH+]2CCOCC2)o1 ZINC001176169641 770040650 /nfs/dbraw/zinc/04/06/50/770040650.db2.gz NHUVTUUDVQYORT-CYBMUJFWSA-N 1 3 324.425 0.547 20 0 DCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCOCCO ZINC001176285241 770062615 /nfs/dbraw/zinc/06/26/15/770062615.db2.gz NVZZAYJNLGWXEW-HNNXBMFYSA-N 1 3 317.474 0.602 20 0 DCADHO NCCS(=O)(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001238834311 770134249 /nfs/dbraw/zinc/13/42/49/770134249.db2.gz LUEFAPJASNOHMZ-CQSZACIVSA-N 1 3 315.414 0.745 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)c1ccc2c(c1)OCO2 ZINC001238878503 770139720 /nfs/dbraw/zinc/13/97/20/770139720.db2.gz HETSDMIZTYKPFN-UHFFFAOYSA-N 1 3 315.395 0.022 20 0 DCADHO NCCC[NH2+]CCCNS(=O)(=O)Cc1ccc(F)cc1F ZINC001238879965 770141503 /nfs/dbraw/zinc/14/15/03/770141503.db2.gz ZIHZSVXAUSDMJU-UHFFFAOYSA-N 1 3 321.393 0.713 20 0 DCADHO CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176754186 770168426 /nfs/dbraw/zinc/16/84/26/770168426.db2.gz SROQRVBIMMOCHY-CYBMUJFWSA-N 1 3 300.447 0.337 20 0 DCADHO S=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)NC[C@@H]1CCCO1 ZINC001239363827 770211272 /nfs/dbraw/zinc/21/12/72/770211272.db2.gz QBKWMFYPNXMJNW-OLZOCXBDSA-N 1 3 312.483 0.504 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCNCc1ccn(C)n1 ZINC001176844602 770213516 /nfs/dbraw/zinc/21/35/16/770213516.db2.gz LXQIZQKMHCLAGS-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO CCn1cc(CC[NH2+]CCCNC(=O)CN(C)C(C)C)cn1 ZINC001176971531 770263367 /nfs/dbraw/zinc/26/33/67/770263367.db2.gz BVAUFXBQGVWGFM-UHFFFAOYSA-N 1 3 309.458 0.882 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001176975006 770265861 /nfs/dbraw/zinc/26/58/61/770265861.db2.gz GYSCVBNSADFNEJ-AWEZNQCLSA-N 1 3 312.458 0.339 20 0 DCADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001176986557 770274440 /nfs/dbraw/zinc/27/44/40/770274440.db2.gz RGMQKSUBMJQSPH-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCc1cnn(C)c1 ZINC001176986728 770274551 /nfs/dbraw/zinc/27/45/51/770274551.db2.gz UDOZFXGUFCLYQB-INIZCTEOSA-N 1 3 321.469 0.933 20 0 DCADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC001177245559 770387969 /nfs/dbraw/zinc/38/79/69/770387969.db2.gz XFJSLAUTUUCLBB-UHFFFAOYSA-N 1 3 321.469 0.834 20 0 DCADHO CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255598 770451295 /nfs/dbraw/zinc/45/12/95/770451295.db2.gz VMORFBATDKCWOB-RRFJBIMHSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)CN1CC[C@H](C)C1 ZINC001155255598 770451297 /nfs/dbraw/zinc/45/12/97/770451297.db2.gz VMORFBATDKCWOB-RRFJBIMHSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCOCCO)N(C)C ZINC001155289452 770461592 /nfs/dbraw/zinc/46/15/92/770461592.db2.gz SYNFPOITYGLNOA-KGLIPLIRSA-N 1 3 303.447 0.162 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCOCCO)N(C)C ZINC001155289452 770461599 /nfs/dbraw/zinc/46/15/99/770461599.db2.gz SYNFPOITYGLNOA-KGLIPLIRSA-N 1 3 303.447 0.162 20 0 DCADHO c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc(N2CCOCC2)c1 ZINC001155527909 770536455 /nfs/dbraw/zinc/53/64/55/770536455.db2.gz SZTCEZOUSKIFTQ-KFWWJZLASA-N 1 3 318.421 0.955 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCOCCOC ZINC001155900334 770652631 /nfs/dbraw/zinc/65/26/31/770652631.db2.gz MUUURQWJUYOUNB-OAHLLOKOSA-N 1 3 317.474 0.818 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCOCCOC ZINC001155900334 770652635 /nfs/dbraw/zinc/65/26/35/770652635.db2.gz MUUURQWJUYOUNB-OAHLLOKOSA-N 1 3 317.474 0.818 20 0 DCADHO COCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001178356054 770731499 /nfs/dbraw/zinc/73/14/99/770731499.db2.gz HHLQTQXOANTEFM-KKUMJFAQSA-N 1 3 313.442 0.323 20 0 DCADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)CCC[NH+](C)C ZINC001179438999 771004710 /nfs/dbraw/zinc/00/47/10/771004710.db2.gz CUYJHPCURVIMPV-IHRRRGAJSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001179825212 771027555 /nfs/dbraw/zinc/02/75/55/771027555.db2.gz GVDQEXAJFXETRP-ZFWWWQNUSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181440530 771292014 /nfs/dbraw/zinc/29/20/14/771292014.db2.gz JBLINZDEIPAKDP-JKIFEVAISA-N 1 3 324.469 0.419 20 0 DCADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001182461766 771494353 /nfs/dbraw/zinc/49/43/53/771494353.db2.gz ODVFLWPOBNUUMF-CYBMUJFWSA-N 1 3 323.441 0.309 20 0 DCADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001182590693 771514218 /nfs/dbraw/zinc/51/42/18/771514218.db2.gz RWBMYHOQWJBQGP-ZIAGYGMSSA-N 1 3 324.469 0.576 20 0 DCADHO CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157414177 771604363 /nfs/dbraw/zinc/60/43/63/771604363.db2.gz UQBKVBMRUNSAFR-HNNXBMFYSA-N 1 3 314.393 0.764 20 0 DCADHO N[C@H]1CN(C(=O)[C@H](c2ccco2)N2CCC([NH3+])CC2)C[C@H]1F ZINC001157530795 771626858 /nfs/dbraw/zinc/62/68/58/771626858.db2.gz ITLYXLSLFIDQLG-DYEKYZERSA-N 1 3 310.373 0.251 20 0 DCADHO N[C@H]1CN(C(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)C[C@H]1F ZINC001157536771 771627539 /nfs/dbraw/zinc/62/75/39/771627539.db2.gz QIBDGQGKXWJRCL-VNHYZAJKSA-N 1 3 319.380 0.576 20 0 DCADHO N[C@H]1CN(C(=O)C[C@H]2CN(Cc3ccccc3)CC[NH2+]2)C[C@H]1F ZINC001157536421 771627982 /nfs/dbraw/zinc/62/79/82/771627982.db2.gz MCBRZHTWYAGLIY-XHSDSOJGSA-N 1 3 320.412 0.358 20 0 DCADHO N[C@H]1CN(C(=O)[C@H]2OC3(CC[NH2+]CC3)c3ccccc32)C[C@H]1F ZINC001157536212 771628146 /nfs/dbraw/zinc/62/81/46/771628146.db2.gz IUIBJVDMBWQWMH-ILXRZTDVSA-N 1 3 319.380 0.844 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)C1CCC1 ZINC001183288760 771632420 /nfs/dbraw/zinc/63/24/20/771632420.db2.gz NJLLVRRRCDCTHS-CYBMUJFWSA-N 1 3 322.453 0.282 20 0 DCADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1)C1CCC1 ZINC001183288187 771637499 /nfs/dbraw/zinc/63/74/99/771637499.db2.gz BHZBHCJZYJTBPG-CQSZACIVSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183392448 771643733 /nfs/dbraw/zinc/64/37/33/771643733.db2.gz WEYHUAVKHPTZJQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183392448 771643735 /nfs/dbraw/zinc/64/37/35/771643735.db2.gz WEYHUAVKHPTZJQ-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1)[NH+](C)C ZINC001183449978 771650301 /nfs/dbraw/zinc/65/03/01/771650301.db2.gz IDLULAMHKBUWCI-YUELXQCFSA-N 1 3 324.469 0.430 20 0 DCADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]([NH3+])CCCc1ccccc1 ZINC001157715538 771657654 /nfs/dbraw/zinc/65/76/54/771657654.db2.gz GIKMLFAVYXYHEJ-HOTGVXAUSA-N 1 3 305.422 0.783 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158030249 771715872 /nfs/dbraw/zinc/71/58/72/771715872.db2.gz RHSNYXIMVDVJEF-HUUCEWRRSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158030249 771715876 /nfs/dbraw/zinc/71/58/76/771715876.db2.gz RHSNYXIMVDVJEF-HUUCEWRRSA-N 1 3 319.453 0.890 20 0 DCADHO O=C([C@@H]1CNCc2ccnn2C1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160836 771731628 /nfs/dbraw/zinc/73/16/28/771731628.db2.gz MTAZXARAHPTTFT-CZUORRHYSA-N 1 3 303.410 0.347 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001158197488 771738983 /nfs/dbraw/zinc/73/89/83/771738983.db2.gz XVIXCDUVGYYNDA-INIZCTEOSA-N 1 3 319.453 0.841 20 0 DCADHO Cc1nocc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196843 771739199 /nfs/dbraw/zinc/73/91/99/771739199.db2.gz OTMKXSLYUZVDJG-OAHLLOKOSA-N 1 3 306.410 0.921 20 0 DCADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158328069 771760271 /nfs/dbraw/zinc/76/02/71/771760271.db2.gz SFHQPYLJYABJLW-JZXOWHBKSA-N 1 3 315.417 0.589 20 0 DCADHO C[C@](N)(CO)C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158545346 771787807 /nfs/dbraw/zinc/78/78/07/771787807.db2.gz BYPLZINYMVVSQP-PVAVHDDUSA-N 1 3 303.406 0.302 20 0 DCADHO CN1CCC(N(c2ncccc2C(N)=O)C2CC[NH2+]CC2)CC1 ZINC001158575004 771791282 /nfs/dbraw/zinc/79/12/82/771791282.db2.gz FQXLVFSUGIGUHU-UHFFFAOYSA-N 1 3 317.437 0.833 20 0 DCADHO [NH3+]C1([C@@H]2CN(C(=O)c3cncc4c3CCNC4)C[C@@H]2CF)CC1 ZINC001158582767 771792764 /nfs/dbraw/zinc/79/27/64/771792764.db2.gz OMAFDFPNEWNUAQ-XHDPSFHLSA-N 1 3 318.396 0.876 20 0 DCADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184577848 771801607 /nfs/dbraw/zinc/80/16/07/771801607.db2.gz PJNPMHYOSFEUKS-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001184859189 771838617 /nfs/dbraw/zinc/83/86/17/771838617.db2.gz XTCMKBVFGJUGIP-RRFJBIMHSA-N 1 3 324.469 0.432 20 0 DCADHO [NH3+]Cc1ccc2nnn(-c3nc(Cl)nc4c3CNCC4)c2c1 ZINC001159027171 771849608 /nfs/dbraw/zinc/84/96/08/771849608.db2.gz ZSMJRQXSPULIMC-UHFFFAOYSA-N 1 3 315.768 0.968 20 0 DCADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@@H](F)CCN2)C1 ZINC001159134748 771865492 /nfs/dbraw/zinc/86/54/92/771865492.db2.gz OXTBPIZXEGYDMJ-IHRRRGAJSA-N 1 3 323.416 0.493 20 0 DCADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CCO ZINC001185169754 771872445 /nfs/dbraw/zinc/87/24/45/771872445.db2.gz MRDNSSAZVCLRKD-HUUCEWRRSA-N 1 3 311.470 0.785 20 0 DCADHO CCN1CC[C@@]2(CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@@H]2C)C1=O ZINC001159318003 771894815 /nfs/dbraw/zinc/89/48/15/771894815.db2.gz HDMNWSAQJNGQJW-QEORTHHSSA-N 1 3 322.453 0.030 20 0 DCADHO Cc1cnc2n1CCC21CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001159381808 771903922 /nfs/dbraw/zinc/90/39/22/771903922.db2.gz HALIACDGBWDASN-CYBMUJFWSA-N 1 3 305.426 0.522 20 0 DCADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C1(N)CC1)C2 ZINC001159472321 771915292 /nfs/dbraw/zinc/91/52/92/771915292.db2.gz SFPOASOYBASFCI-GDBMZVCRSA-N 1 3 307.438 0.685 20 0 DCADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)C1(N)CC1)C2 ZINC001159472321 771915295 /nfs/dbraw/zinc/91/52/95/771915295.db2.gz SFPOASOYBASFCI-GDBMZVCRSA-N 1 3 307.438 0.685 20 0 DCADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001159863330 771969838 /nfs/dbraw/zinc/96/98/38/771969838.db2.gz RWJDMWCCDZIVDX-UONOGXRCSA-N 1 3 322.453 0.030 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001159886178 771972941 /nfs/dbraw/zinc/97/29/41/771972941.db2.gz JHCVPYLISFPRTG-RDBSUJKOSA-N 1 3 310.442 0.029 20 0 DCADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCc2ncnn21)C1CC1 ZINC001159931567 771980394 /nfs/dbraw/zinc/98/03/94/771980394.db2.gz FKFUVRHTDHTJEC-UKRRQHHQSA-N 1 3 320.441 0.202 20 0 DCADHO CCCNCc1cn([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185999804 771983833 /nfs/dbraw/zinc/98/38/33/771983833.db2.gz KHNXTSGCQROXDS-HNNXBMFYSA-N 1 3 322.457 0.893 20 0 DCADHO Cc1nc(C)n(CC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)n1 ZINC001160427457 772035732 /nfs/dbraw/zinc/03/57/32/772035732.db2.gz RNOFKEGPSSMUOS-HNNXBMFYSA-N 1 3 324.473 0.577 20 0 DCADHO Cc1ncc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cn1 ZINC001160427342 772036120 /nfs/dbraw/zinc/03/61/20/772036120.db2.gz PZVYWRLPMZHXPA-HNNXBMFYSA-N 1 3 307.442 0.967 20 0 DCADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@H](c2ccccc2F)C1 ZINC001160534985 772059704 /nfs/dbraw/zinc/05/97/04/772059704.db2.gz MDBLDBOJECFKKE-TZMCWYRMSA-N 1 3 303.381 0.951 20 0 DCADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@H](c2ccccc2F)C1 ZINC001160534982 772060327 /nfs/dbraw/zinc/06/03/27/772060327.db2.gz MDBLDBOJECFKKE-JSGCOSHPSA-N 1 3 303.381 0.951 20 0 DCADHO [NH3+]CCC[C@H](Nc1cccc(N2CCC([NH3+])CC2)n1)C(=O)[O-] ZINC001160597409 772075636 /nfs/dbraw/zinc/07/56/36/772075636.db2.gz KJTPMDWJUVYLJK-LBPRGKRZSA-N 1 3 307.398 0.613 20 0 DCADHO CCOc1ccc(C[C@H](N)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160644166 772084618 /nfs/dbraw/zinc/08/46/18/772084618.db2.gz VSGTVSLOSKEFJM-GJZGRUSLSA-N 1 3 307.394 0.141 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705840 772100283 /nfs/dbraw/zinc/10/02/83/772100283.db2.gz SUMXCUWWLLTIKS-QWRGUYRKSA-N 1 3 311.348 0.835 20 0 DCADHO CCOC(=O)c1coc2c1CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001160760818 772108001 /nfs/dbraw/zinc/10/80/01/772108001.db2.gz ADUKJHJAEHFRLL-LBPRGKRZSA-N 1 3 309.366 0.755 20 0 DCADHO C[C@](O)(C1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1)C(F)(F)F ZINC001160837067 772118651 /nfs/dbraw/zinc/11/86/51/772118651.db2.gz AUPRSWSEPJQGGY-JQWIXIFHSA-N 1 3 311.348 0.605 20 0 DCADHO N[C@@H](C(=O)N1CCc2nc(C3CC3)ncc2C1)C1CC[NH2+]CC1 ZINC001160835267 772118868 /nfs/dbraw/zinc/11/88/68/772118868.db2.gz RSNGCYUVOSPUGW-OAHLLOKOSA-N 1 3 315.421 0.566 20 0 DCADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C(C)C)N(C)C ZINC001160889649 772132740 /nfs/dbraw/zinc/13/27/40/772132740.db2.gz NLAHNJIMIXZZSF-ZIAGYGMSSA-N 1 3 314.474 0.678 20 0 DCADHO CCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160890042 772132820 /nfs/dbraw/zinc/13/28/20/772132820.db2.gz SZCFGGHAVMZFLK-ZIAGYGMSSA-N 1 3 314.474 0.727 20 0 DCADHO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)CCC[NH3+] ZINC001161026706 772153888 /nfs/dbraw/zinc/15/38/88/772153888.db2.gz WRJIBLRHJDTXGA-ZIAGYGMSSA-N 1 3 305.378 0.179 20 0 DCADHO Cc1cc(O[C@H]2CCCN(C(=O)[C@@H](N)CCCC[NH3+])C2)ncn1 ZINC001161308973 772201430 /nfs/dbraw/zinc/20/14/30/772201430.db2.gz KDARNURANGTWGN-KBPBESRZSA-N 1 3 321.425 0.611 20 0 DCADHO COc1cccc(OC2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)n1 ZINC001161313824 772202015 /nfs/dbraw/zinc/20/20/15/772202015.db2.gz XXYWVOIFVZTYBU-CYBMUJFWSA-N 1 3 322.409 0.526 20 0 DCADHO C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001161439553 772223711 /nfs/dbraw/zinc/22/37/11/772223711.db2.gz VVOVLUGAZNQFPU-HIFRSBDPSA-N 1 3 318.421 0.426 20 0 DCADHO COc1cc2c(cc1OC)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C2 ZINC001161467700 772228878 /nfs/dbraw/zinc/22/88/78/772228878.db2.gz FZDVSMDSGGQVSM-INIZCTEOSA-N 1 3 319.405 0.873 20 0 DCADHO CN1C(=O)CC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC[C@@H]21 ZINC001161480900 772231413 /nfs/dbraw/zinc/23/14/13/772231413.db2.gz BRSNSAFUEHAEDN-KKUMJFAQSA-N 1 3 324.469 0.515 20 0 DCADHO CN(C1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497763 772234744 /nfs/dbraw/zinc/23/47/44/772234744.db2.gz DDOALRBARKULEO-RDJZCZTQSA-N 1 3 315.417 0.632 20 0 DCADHO Cc1ccc(C[C@H](N)C(=O)N2C[C@H]([NH3+])C3(COC3)C2)c(C)c1 ZINC001161500265 772235643 /nfs/dbraw/zinc/23/56/43/772235643.db2.gz MHVYCPQKNRPUPU-GJZGRUSLSA-N 1 3 303.406 0.359 20 0 DCADHO CN1CCN(CCCNc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC001161706164 772268685 /nfs/dbraw/zinc/26/86/85/772268685.db2.gz UDQFHYUUTYXWRY-UHFFFAOYSA-N 1 3 319.453 0.968 20 0 DCADHO CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188146159 772271621 /nfs/dbraw/zinc/27/16/21/772271621.db2.gz WNJAHFHMHKLBGS-CQSZACIVSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@H](N[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1)C(N)=O ZINC001188346862 772290523 /nfs/dbraw/zinc/29/05/23/772290523.db2.gz ZEDDVMCVFACDPN-UONOGXRCSA-N 1 3 310.442 0.317 20 0 DCADHO CC1(C)C(=O)NC[C@@H]1Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001163011606 772443327 /nfs/dbraw/zinc/44/33/27/772443327.db2.gz MLGAZAQGGJFZCS-LBPRGKRZSA-N 1 3 303.410 0.946 20 0 DCADHO COC(=O)Cc1cc(NCC[C@H]2CCOC23C[NH2+]C3)ccn1 ZINC001163093780 772460456 /nfs/dbraw/zinc/46/04/56/772460456.db2.gz CMMAWTXITBRPOH-LBPRGKRZSA-N 1 3 305.378 0.978 20 0 DCADHO CN1CCOc2c1cnnc2NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163278271 772498462 /nfs/dbraw/zinc/49/84/62/772498462.db2.gz IMKJSYFUGUKUBY-BLLLJJGKSA-N 1 3 319.409 0.876 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001163820163 772577676 /nfs/dbraw/zinc/57/76/76/772577676.db2.gz CUJDZPQUPVQCGJ-AWEZNQCLSA-N 1 3 322.453 0.189 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001190149102 772590508 /nfs/dbraw/zinc/59/05/08/772590508.db2.gz RAWQDHQWIJNGBH-YESZJQIVSA-N 1 3 321.465 0.897 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCC4CC4)C[C@H]32)C1 ZINC001190149102 772590511 /nfs/dbraw/zinc/59/05/11/772590511.db2.gz RAWQDHQWIJNGBH-YESZJQIVSA-N 1 3 321.465 0.897 20 0 DCADHO Cc1cc(CN)nn1-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001163980119 772601222 /nfs/dbraw/zinc/60/12/22/772601222.db2.gz OIXWMJINJNXZRM-UHFFFAOYSA-N 1 3 302.382 0.904 20 0 DCADHO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190775270 772677003 /nfs/dbraw/zinc/67/70/03/772677003.db2.gz FNQVBTLSRUEXIZ-KKUMJFAQSA-N 1 3 315.458 0.113 20 0 DCADHO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001190775270 772677006 /nfs/dbraw/zinc/67/70/06/772677006.db2.gz FNQVBTLSRUEXIZ-KKUMJFAQSA-N 1 3 315.458 0.113 20 0 DCADHO C[NH+](C)CCCC(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001165360056 772728166 /nfs/dbraw/zinc/72/81/66/772728166.db2.gz LLPCKCWQTJZIKW-UHFFFAOYSA-N 1 3 307.442 0.767 20 0 DCADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1)C1CC1 ZINC001165485538 772743191 /nfs/dbraw/zinc/74/31/91/772743191.db2.gz YPHZXTIJNXFZST-KGLIPLIRSA-N 1 3 322.453 0.091 20 0 DCADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1cccc(F)c1 ZINC001165788382 772762955 /nfs/dbraw/zinc/76/29/55/772762955.db2.gz IIYSNGPIJJEICQ-UHFFFAOYSA-N 1 3 324.400 0.812 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCNC(=O)CN2CCC[C@H]2C)C1=O ZINC001166627124 772830844 /nfs/dbraw/zinc/83/08/44/772830844.db2.gz QLUUUJWZFHPESQ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)ncn1 ZINC001166627076 772831576 /nfs/dbraw/zinc/83/15/76/772831576.db2.gz PIZKCZCDOGCXHF-AWEZNQCLSA-N 1 3 305.426 0.865 20 0 DCADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001166633179 772831859 /nfs/dbraw/zinc/83/18/59/772831859.db2.gz BHRRFTAEGLCVEP-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)N2CCCCC2)C1 ZINC001166667965 772837535 /nfs/dbraw/zinc/83/75/35/772837535.db2.gz MWGNBWCYEREQJZ-HNNXBMFYSA-N 1 3 324.469 0.437 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001166677937 772839180 /nfs/dbraw/zinc/83/91/80/772839180.db2.gz QULICCAVUKBQGS-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO COc1cncc(CNCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001166677937 772839187 /nfs/dbraw/zinc/83/91/87/772839187.db2.gz QULICCAVUKBQGS-CYBMUJFWSA-N 1 3 321.425 0.423 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001166690894 772841397 /nfs/dbraw/zinc/84/13/97/772841397.db2.gz HXMYRZATWGSCNN-UKRRQHHQSA-N 1 3 307.442 0.697 20 0 DCADHO CCn1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001166690894 772841401 /nfs/dbraw/zinc/84/14/01/772841401.db2.gz HXMYRZATWGSCNN-UKRRQHHQSA-N 1 3 307.442 0.697 20 0 DCADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192030819 772860368 /nfs/dbraw/zinc/86/03/68/772860368.db2.gz WDFHLGOEPGUFEH-HNNXBMFYSA-N 1 3 307.442 0.758 20 0 DCADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCCCC1)N(C)C ZINC001166865967 772872606 /nfs/dbraw/zinc/87/26/06/772872606.db2.gz KAGGZIQJVJZXOO-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO COC(=O)C1(Nc2ccc3c(n2)OCCNC3)CC[NH2+]CC1 ZINC001166922495 772880107 /nfs/dbraw/zinc/88/01/07/772880107.db2.gz AYVONDIHPGABBA-UHFFFAOYSA-N 1 3 306.366 0.271 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2)CC(C)(C)C ZINC001203427101 772906318 /nfs/dbraw/zinc/90/63/18/772906318.db2.gz SOJYDHWEUMODDQ-QWHCGFSZSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001192343733 772907384 /nfs/dbraw/zinc/90/73/84/772907384.db2.gz QJEFWEPLCIYVIW-CABCVRRESA-N 1 3 313.442 0.012 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001192343733 772907387 /nfs/dbraw/zinc/90/73/87/772907387.db2.gz QJEFWEPLCIYVIW-CABCVRRESA-N 1 3 313.442 0.012 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C12CCC2 ZINC001203652087 772918357 /nfs/dbraw/zinc/91/83/57/772918357.db2.gz RKKPIYIIVLONCN-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CCN1CC[C@H]([NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)C1=O ZINC001203925829 772929859 /nfs/dbraw/zinc/92/98/59/772929859.db2.gz VVZWZPVDERFRLD-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001205469585 772994154 /nfs/dbraw/zinc/99/41/54/772994154.db2.gz NOZFEHYYDYFUHA-GFCCVEGCSA-N 1 3 310.442 0.173 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274845 773061354 /nfs/dbraw/zinc/06/13/54/773061354.db2.gz LQUKRNYUIRFNFC-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc[nH]c3=O)CC[C@@H]2C1 ZINC001207002065 773159986 /nfs/dbraw/zinc/15/99/86/773159986.db2.gz BBYOPZDPSOHNOC-GDBMZVCRSA-N 1 3 321.421 0.956 20 0 DCADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc[nH]c3=O)CC[C@@H]2C1 ZINC001207002065 773159988 /nfs/dbraw/zinc/15/99/88/773159988.db2.gz BBYOPZDPSOHNOC-GDBMZVCRSA-N 1 3 321.421 0.956 20 0 DCADHO c1ccc(N2CCN(C3CN(CC4CC[NH2+]CC4)C3)CC2)nc1 ZINC001207439082 773207337 /nfs/dbraw/zinc/20/73/37/773207337.db2.gz LNLWGNPPADQQSN-UHFFFAOYSA-N 1 3 315.465 0.887 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCC(=O)NC(C)(C)C ZINC001152138174 773252931 /nfs/dbraw/zinc/25/29/31/773252931.db2.gz UAKNTRGQNMKGFO-STQMWFEESA-N 1 3 312.458 0.480 20 0 DCADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)N(C)C ZINC001208330870 773436088 /nfs/dbraw/zinc/43/60/88/773436088.db2.gz HCFUKMUHIYTICI-UONOGXRCSA-N 1 3 324.469 0.528 20 0 DCADHO CN1CCC[C@@H](C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)C1 ZINC001208605552 773505020 /nfs/dbraw/zinc/50/50/20/773505020.db2.gz ANRPWXMWNCJFOM-QBPKDAKJSA-N 1 3 321.465 0.944 20 0 DCADHO CN1CCC[C@@H](C[N@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)C1 ZINC001208605552 773505023 /nfs/dbraw/zinc/50/50/23/773505023.db2.gz ANRPWXMWNCJFOM-QBPKDAKJSA-N 1 3 321.465 0.944 20 0 DCADHO C[N@H+](CCC(=O)N1CCC[C@H](NCC(N)=O)C1)C1CCCCC1 ZINC001208759806 773526084 /nfs/dbraw/zinc/52/60/84/773526084.db2.gz VDACDKQGJLKALN-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO C[N@@H+](CCC(=O)N1CCC[C@H](NCC(N)=O)C1)C1CCCCC1 ZINC001208759806 773526088 /nfs/dbraw/zinc/52/60/88/773526088.db2.gz VDACDKQGJLKALN-AWEZNQCLSA-N 1 3 324.469 0.707 20 0 DCADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1)C(N)=O ZINC001208769280 773527269 /nfs/dbraw/zinc/52/72/69/773527269.db2.gz JMCYWFJQSPSXDB-ZIAGYGMSSA-N 1 3 324.469 0.705 20 0 DCADHO C[C@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)N(C)C ZINC001209325300 773592003 /nfs/dbraw/zinc/59/20/03/773592003.db2.gz YITFUOAAOOXJSE-UONOGXRCSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H](NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001209444040 773603666 /nfs/dbraw/zinc/60/36/66/773603666.db2.gz BXTGQVOPVKAGLG-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447139 773605854 /nfs/dbraw/zinc/60/58/54/773605854.db2.gz XYPPIZDCWUORQD-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO Cc1ncc(CN[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cn1 ZINC001209453872 773606433 /nfs/dbraw/zinc/60/64/33/773606433.db2.gz FPJYEODTPNMOCR-HNNXBMFYSA-N 1 3 305.426 0.817 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001209643870 773629760 /nfs/dbraw/zinc/62/97/60/773629760.db2.gz XFUCTQVMWSRIJI-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1)N(C)C ZINC001209668516 773632600 /nfs/dbraw/zinc/63/26/00/773632600.db2.gz DDRMRMMGPMGPMY-HIFRSBDPSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209940049 773661170 /nfs/dbraw/zinc/66/11/70/773661170.db2.gz JIUVEDGUNNJXRY-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001210218157 773686584 /nfs/dbraw/zinc/68/65/84/773686584.db2.gz PBNXPHYXTPUAKV-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001210484826 773712537 /nfs/dbraw/zinc/71/25/37/773712537.db2.gz DRVJVJOLRFXUKE-HUUCEWRRSA-N 1 3 315.458 0.164 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001210484826 773712542 /nfs/dbraw/zinc/71/25/42/773712542.db2.gz DRVJVJOLRFXUKE-HUUCEWRRSA-N 1 3 315.458 0.164 20 0 DCADHO C[C@H](N[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1)C(N)=O ZINC001211125499 773773300 /nfs/dbraw/zinc/77/33/00/773773300.db2.gz GGRDFRGHXHPPCL-GJZGRUSLSA-N 1 3 324.469 0.707 20 0 DCADHO CO[C@@H]1CN(CC[C@@H](C)F)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342447 773835716 /nfs/dbraw/zinc/83/57/16/773835716.db2.gz XVGNTDOPJMMHRA-MGPQQGTHSA-N 1 3 315.433 0.892 20 0 DCADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](CC)OC)C[C@H]1O ZINC001198038495 773848857 /nfs/dbraw/zinc/84/88/57/773848857.db2.gz TXXCQYKWEBYAHV-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](CC)OC)C[C@H]1O ZINC001198038495 773848861 /nfs/dbraw/zinc/84/88/61/773848861.db2.gz TXXCQYKWEBYAHV-RRFJBIMHSA-N 1 3 315.458 0.305 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001152445912 773908390 /nfs/dbraw/zinc/90/83/90/773908390.db2.gz RCXKTABTUJCNRC-HNNXBMFYSA-N 1 3 320.437 0.466 20 0 DCADHO C[C@H](N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C)C(N)=O ZINC001215234118 774052252 /nfs/dbraw/zinc/05/22/52/774052252.db2.gz DMOLJFSLBAGGPM-HZSPNIEDSA-N 1 3 324.469 0.561 20 0 DCADHO CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456262 774073408 /nfs/dbraw/zinc/07/34/08/774073408.db2.gz QCKFMMNQBOUJPV-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1=O ZINC001215463142 774074469 /nfs/dbraw/zinc/07/44/69/774074469.db2.gz JAEDTCXHOGYYQU-RBSFLKMASA-N 1 3 324.469 0.384 20 0 DCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001215993969 774097114 /nfs/dbraw/zinc/09/71/14/774097114.db2.gz KBJCEGKTJCQYCE-ZIAGYGMSSA-N 1 3 312.458 0.243 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCOC)C1 ZINC001216511755 774119833 /nfs/dbraw/zinc/11/98/33/774119833.db2.gz YQPAHCRQKVTNKF-HUUCEWRRSA-N 1 3 315.458 0.428 20 0 DCADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnn(CC2CCOCC2)c1 ZINC001199569614 774142025 /nfs/dbraw/zinc/14/20/25/774142025.db2.gz ZBKCWXIJMFCNJX-UHFFFAOYSA-N 1 3 322.413 0.384 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001216845143 774142229 /nfs/dbraw/zinc/14/22/29/774142229.db2.gz ZBCPEEJRDLLIPO-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001216852126 774143733 /nfs/dbraw/zinc/14/37/33/774143733.db2.gz QEXIOOGIESHHKR-MGPQQGTHSA-N 1 3 310.442 0.042 20 0 DCADHO c1cc(-c2noc(-c3n[nH]c4c3CNC4)n2)nc2c1C[NH2+]CC2 ZINC001217210971 774161278 /nfs/dbraw/zinc/16/12/78/774161278.db2.gz NBZDPXAMHPPZOI-UHFFFAOYSA-N 1 3 309.333 0.771 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788105 774198401 /nfs/dbraw/zinc/19/84/01/774198401.db2.gz LOKDRLTXQCDSDS-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CO[C@@H]1CCN[C@@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)C1 ZINC001218532440 774239056 /nfs/dbraw/zinc/23/90/56/774239056.db2.gz FLXRXXLEUZYLSC-FXPVBKGRSA-N 1 3 310.423 0.665 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218534114 774239640 /nfs/dbraw/zinc/23/96/40/774239640.db2.gz VDZTXGWDVMKCDV-HTQZYQBOSA-N 1 3 312.395 0.178 20 0 DCADHO N[C@@H](C(=O)Nc1nc2c(s1)C(=O)CCC2)C1CC[NH2+]CC1 ZINC001218535767 774240680 /nfs/dbraw/zinc/24/06/80/774240680.db2.gz SFBBRJWZEZDOTH-LLVKDONJSA-N 1 3 308.407 0.928 20 0 DCADHO Cc1sc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(C(N)=O)c1C ZINC001218547453 774244010 /nfs/dbraw/zinc/24/40/10/774244010.db2.gz HKGWDKCBCQWORF-NSHDSACASA-N 1 3 310.423 0.729 20 0 DCADHO COC(=O)c1cnc(NC(=O)[C@@H](N)CCCC[NH3+])c(Cl)c1 ZINC001218597080 774260287 /nfs/dbraw/zinc/26/02/87/774260287.db2.gz UVEDNIBCQZKVGG-JTQLQIEISA-N 1 3 314.773 0.916 20 0 DCADHO O=C(Nc1cc(-c2ccccn2)no1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218636984 774269295 /nfs/dbraw/zinc/26/92/95/774269295.db2.gz LYKSEDPNTZBQKV-BDJLRTHQSA-N 1 3 313.361 0.874 20 0 DCADHO CCOC(=O)c1cc(NC(=O)[C@@H](N)CCCC[NH3+])cnc1C ZINC001218637723 774269502 /nfs/dbraw/zinc/26/95/02/774269502.db2.gz ZYXHEGLOCIQQKN-ZDUSSCGKSA-N 1 3 308.382 0.962 20 0 DCADHO CCOC(=O)c1cccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001218647472 774272174 /nfs/dbraw/zinc/27/21/74/774272174.db2.gz JIHARNNOAFYQTO-ZDUSSCGKSA-N 1 3 306.366 0.524 20 0 DCADHO COc1ccc(Br)c(NC(=O)[C@H](N)CCC[NH3+])n1 ZINC001218656981 774274722 /nfs/dbraw/zinc/27/47/22/774274722.db2.gz VOEILPJEBINRJU-MRVPVSSYSA-N 1 3 317.187 0.857 20 0 DCADHO Nc1cccnc1N(C(=O)C[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC001218694755 774281477 /nfs/dbraw/zinc/28/14/77/774281477.db2.gz CFLOJXVQTLMMCH-ZDUSSCGKSA-N 1 3 319.409 0.127 20 0 DCADHO O=C(Nc1ccnn1Br)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218771805 774300292 /nfs/dbraw/zinc/30/02/92/774300292.db2.gz GGOSLYCUKKGUSD-LDYMZIIASA-N 1 3 314.187 0.179 20 0 DCADHO N[C@H](C(=O)Nc1ccccc1C(=O)NC1CC1)C1CC[NH2+]CC1 ZINC001218885114 774321690 /nfs/dbraw/zinc/32/16/90/774321690.db2.gz FGDGMTIGPQBKQZ-HNNXBMFYSA-N 1 3 316.405 0.844 20 0 DCADHO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218946846 774332969 /nfs/dbraw/zinc/33/29/69/774332969.db2.gz UIIZGDYWEFTBFB-MFKMUULPSA-N 1 3 317.393 0.551 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCO[C@@H](CNCCF)C1 ZINC001200527816 774361720 /nfs/dbraw/zinc/36/17/20/774361720.db2.gz ABGZIXHUNGMMPW-LSDHHAIUSA-N 1 3 313.417 0.505 20 0 DCADHO CN(C)C1(C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)CCC1 ZINC001200687425 774390159 /nfs/dbraw/zinc/39/01/59/774390159.db2.gz AUMOQSNVVZFNFV-CQSZACIVSA-N 1 3 313.442 0.060 20 0 DCADHO CO[C@@H](CN)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219283276 774434874 /nfs/dbraw/zinc/43/48/74/774434874.db2.gz ILHDJYNCTKVBBB-ZDUSSCGKSA-N 1 3 310.373 0.467 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001201066949 774441548 /nfs/dbraw/zinc/44/15/48/774441548.db2.gz UYWZBFKUTCTSCA-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1)N(C)C ZINC001201239360 774469055 /nfs/dbraw/zinc/46/90/55/774469055.db2.gz JVMRVZPZRSGDGY-OAHLLOKOSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001201321225 774487391 /nfs/dbraw/zinc/48/73/91/774487391.db2.gz IPBYAJQVUOBWTQ-UHFFFAOYSA-N 1 3 312.458 0.386 20 0 DCADHO N[C@@H](C(=O)Nc1ccc2[nH]c(=O)cnc2c1)C1CC[NH2+]CC1 ZINC001219437958 774493632 /nfs/dbraw/zinc/49/36/32/774493632.db2.gz GHKNBQHGEZKWST-CQSZACIVSA-N 1 3 301.350 0.189 20 0 DCADHO Cn1nccc1CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336741 774494759 /nfs/dbraw/zinc/49/47/59/774494759.db2.gz YFCRSLIASTYUNX-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201402213 774501102 /nfs/dbraw/zinc/50/11/02/774501102.db2.gz BRJIZEVGVIJTJW-LSDHHAIUSA-N 1 3 313.442 0.060 20 0 DCADHO COCC[NH2+]C[C@H]1CN(C(=O)CN2CCC[C@@H]2C)CCCO1 ZINC001201402857 774501675 /nfs/dbraw/zinc/50/16/75/774501675.db2.gz GTAJKNFSEMFIGH-GJZGRUSLSA-N 1 3 313.442 0.324 20 0 DCADHO CCn1nnc(-c2ccccc2NC(=O)[C@H](N)CCC[NH3+])n1 ZINC001219480716 774509551 /nfs/dbraw/zinc/50/95/51/774509551.db2.gz DOAGZSGKMAIVMJ-LLVKDONJSA-N 1 3 303.370 0.365 20 0 DCADHO N[C@H](C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C1Cc2ccccc2C1 ZINC001219737479 774595570 /nfs/dbraw/zinc/59/55/70/774595570.db2.gz XEDGWIAIVSREMZ-CVEARBPZSA-N 1 3 315.417 0.223 20 0 DCADHO O=C(NCc1noc2c1CNCC2)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001219811409 774616299 /nfs/dbraw/zinc/61/62/99/774616299.db2.gz RIVRDSNJJMQQRE-AWEZNQCLSA-N 1 3 312.373 0.651 20 0 DCADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1csc([C@@H]2CCCN2)n1 ZINC001219849512 774627116 /nfs/dbraw/zinc/62/71/16/774627116.db2.gz CADJGZYXFXHEQP-MRBYEJRBSA-N 1 3 322.434 0.817 20 0 DCADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219889969 774638483 /nfs/dbraw/zinc/63/84/83/774638483.db2.gz CXTNXARTVNTILZ-KBPBESRZSA-N 1 3 320.437 0.820 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H](N)CCCNC(N)=O)c1 ZINC001219943305 774653084 /nfs/dbraw/zinc/65/30/84/774653084.db2.gz BWNRWFADRKHWGX-CQSZACIVSA-N 1 3 321.425 0.140 20 0 DCADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC(=O)NC1CCCC1 ZINC001219976186 774660383 /nfs/dbraw/zinc/66/03/83/774660383.db2.gz DLVVLPMALJWABM-AWEZNQCLSA-N 1 3 312.458 0.657 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001219980192 774661404 /nfs/dbraw/zinc/66/14/04/774661404.db2.gz CZQXRYWRMGCGRX-GUTXKFCHSA-N 1 3 312.458 0.324 20 0 DCADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001219980192 774661409 /nfs/dbraw/zinc/66/14/09/774661409.db2.gz CZQXRYWRMGCGRX-GUTXKFCHSA-N 1 3 312.458 0.324 20 0 DCADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219999237 774664734 /nfs/dbraw/zinc/66/47/34/774664734.db2.gz NWVZKGGXDGJUIJ-BZUAXINKSA-N 1 3 303.406 0.520 20 0 DCADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045167 774679378 /nfs/dbraw/zinc/67/93/78/774679378.db2.gz OGKAFILFCKNUEW-LLVKDONJSA-N 1 3 308.382 0.516 20 0 DCADHO CC1(C)CC(NC(=O)[C@H](N)C2CC[NH2+]CC2)CC(C)(C)N1O ZINC001220049313 774681529 /nfs/dbraw/zinc/68/15/29/774681529.db2.gz GJRJIFRMFPFHLV-CYBMUJFWSA-N 1 3 312.458 0.840 20 0 DCADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220162098 774715075 /nfs/dbraw/zinc/71/50/75/774715075.db2.gz HKBCAVFAHKAWPN-KEYYUXOJSA-N 1 3 324.469 0.515 20 0 DCADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163961 774715752 /nfs/dbraw/zinc/71/57/52/774715752.db2.gz XFNPSNSBPZNSSG-MGAYLXOUSA-N 1 3 301.456 0.121 20 0 DCADHO COc1ccnc(C(=N)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)n1 ZINC001220183119 774723863 /nfs/dbraw/zinc/72/38/63/774723863.db2.gz FOBNADSWYKGIAQ-NSHDSACASA-N 1 3 322.413 0.422 20 0 DCADHO Cc1ccc(C2(NC(=O)[C@@H]3C[NH2+]CC34CNC4)COC2)cc1 ZINC001220200383 774731892 /nfs/dbraw/zinc/73/18/92/774731892.db2.gz IYPMUGURTDCGKI-AWEZNQCLSA-N 1 3 301.390 0.146 20 0 DCADHO COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)[C@@H](N)CCC[NH3+] ZINC001220408439 774800615 /nfs/dbraw/zinc/80/06/15/774800615.db2.gz DUWJBWTYZKCJFL-MFKMUULPSA-N 1 3 320.393 0.303 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)C1CC1 ZINC001114404771 774840992 /nfs/dbraw/zinc/84/09/92/774840992.db2.gz GZRUNESINBCFQW-FXUDXRNXSA-N 1 3 317.437 0.270 20 0 DCADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cccn3)C[C@H]21)C1CC1 ZINC001114404771 774841001 /nfs/dbraw/zinc/84/10/01/774841001.db2.gz GZRUNESINBCFQW-FXUDXRNXSA-N 1 3 317.437 0.270 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114407154 774843741 /nfs/dbraw/zinc/84/37/41/774843741.db2.gz SMPYJJNSIQTNHU-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114407154 774843749 /nfs/dbraw/zinc/84/37/49/774843749.db2.gz SMPYJJNSIQTNHU-FICVDOATSA-N 1 3 309.454 0.944 20 0 DCADHO N[C@@H](CCC[NH3+])C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001220624579 774868054 /nfs/dbraw/zinc/86/80/54/774868054.db2.gz NPXOWBMYKFXUOU-NWDGAFQWSA-N 1 3 319.327 0.921 20 0 DCADHO COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220628186 774870193 /nfs/dbraw/zinc/87/01/93/774870193.db2.gz URPHOYTWKGSNAB-WMLDXEAASA-N 1 3 321.421 0.733 20 0 DCADHO CCOC(=O)C[C@H](NC(=O)[C@@H](N)CCC[NH3+])c1cccc(O)c1 ZINC001220667491 774881737 /nfs/dbraw/zinc/88/17/37/774881737.db2.gz AGPWFCFBXCDKSB-KBPBESRZSA-N 1 3 323.393 0.569 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001220688485 774891079 /nfs/dbraw/zinc/89/10/79/774891079.db2.gz IIHRBMJHJCNMLT-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001220688485 774891092 /nfs/dbraw/zinc/89/10/92/774891092.db2.gz IIHRBMJHJCNMLT-KFWWJZLASA-N 1 3 313.442 0.059 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114488346 774898420 /nfs/dbraw/zinc/89/84/20/774898420.db2.gz LBCKJKZIKFZAGK-RQJABVFESA-N 1 3 322.453 0.042 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114488346 774898428 /nfs/dbraw/zinc/89/84/28/774898428.db2.gz LBCKJKZIKFZAGK-RQJABVFESA-N 1 3 322.453 0.042 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1[nH]nc2c1CNCC2 ZINC001220808800 774921819 /nfs/dbraw/zinc/92/18/19/774921819.db2.gz XAVVDXWMPMIBEO-PSASIEDQSA-N 1 3 317.315 0.326 20 0 DCADHO CC(C)Oc1nccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001220988827 774971312 /nfs/dbraw/zinc/97/13/12/774971312.db2.gz XSRJGOQCYKLQAI-CYBMUJFWSA-N 1 3 307.398 0.207 20 0 DCADHO NC1=CC=C(C2CCN(C(=O)COC3CC[NH2+]CC3)CC2)NC1 ZINC001221391449 775083189 /nfs/dbraw/zinc/08/31/89/775083189.db2.gz NLDOGIPDXUZZQQ-UHFFFAOYSA-N 1 3 320.437 0.323 20 0 DCADHO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001222046486 775252195 /nfs/dbraw/zinc/25/21/95/775252195.db2.gz GLDKQSYBNZPHSY-HZPDHXFCSA-N 1 3 309.454 0.778 20 0 DCADHO FC(F)(F)[C@H]1N(C[C@@H]2COCCN2)CCC12CC[NH2+]CC2 ZINC001222642611 775405849 /nfs/dbraw/zinc/40/58/49/775405849.db2.gz MBWGEOWUEPXJIM-NEPJUHHUSA-N 1 3 307.360 0.981 20 0 DCADHO CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226297154 775795013 /nfs/dbraw/zinc/79/50/13/775795013.db2.gz QYVLZFJAINNSSY-RRFJBIMHSA-N 1 3 322.453 0.091 20 0 DCADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCOCC4CC4)C[C@H]32)CC1 ZINC001114740935 776089681 /nfs/dbraw/zinc/08/96/81/776089681.db2.gz FKQVQOVOHGUOOW-ZSHCYNCHSA-N 1 3 321.465 0.801 20 0 DCADHO CC[C@@H](C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1)N(C)C ZINC001229253299 776173637 /nfs/dbraw/zinc/17/36/37/776173637.db2.gz BELHOCJJLNTUDQ-INIZCTEOSA-N 1 3 321.469 0.883 20 0 DCADHO C[C@@H](COCC(=O)NC1CCN(CCO)CC1)[NH+]1CCCC1 ZINC001229243500 776173878 /nfs/dbraw/zinc/17/38/78/776173878.db2.gz NVBLHPDESAXGOY-AWEZNQCLSA-N 1 3 313.442 0.060 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114835416 776207455 /nfs/dbraw/zinc/20/74/55/776207455.db2.gz KBTVHMSGTQBQNV-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001114835416 776207465 /nfs/dbraw/zinc/20/74/65/776207465.db2.gz KBTVHMSGTQBQNV-LJIGWXMPSA-N 1 3 309.454 0.801 20 0 DCADHO COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114835415 776207782 /nfs/dbraw/zinc/20/77/82/776207782.db2.gz KBTVHMSGTQBQNV-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001114835415 776207790 /nfs/dbraw/zinc/20/77/90/776207790.db2.gz KBTVHMSGTQBQNV-AIANPOQGSA-N 1 3 309.454 0.801 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](CC)C(N)=O ZINC001229868735 776231499 /nfs/dbraw/zinc/23/14/99/776231499.db2.gz LVZFTFXHJGCAIO-MGPQQGTHSA-N 1 3 312.458 0.609 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138219 776256420 /nfs/dbraw/zinc/25/64/20/776256420.db2.gz KQYYEEDIKQCWBS-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138219 776256427 /nfs/dbraw/zinc/25/64/27/776256427.db2.gz KQYYEEDIKQCWBS-BFHYXJOUSA-N 1 3 310.442 0.091 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001230618013 776355310 /nfs/dbraw/zinc/35/53/10/776355310.db2.gz IKSMRSPXDDBEDH-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001230618013 776355323 /nfs/dbraw/zinc/35/53/23/776355323.db2.gz IKSMRSPXDDBEDH-OAHLLOKOSA-N 1 3 324.469 0.517 20 0 DCADHO C[C@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358689 777225702 /nfs/dbraw/zinc/22/57/02/777225702.db2.gz PRMVZNQOYQYDIO-YOEHRIQHSA-N 1 3 309.454 0.776 20 0 DCADHO C[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041358689 777225710 /nfs/dbraw/zinc/22/57/10/777225710.db2.gz PRMVZNQOYQYDIO-YOEHRIQHSA-N 1 3 309.454 0.776 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001317593485 945093420 /nfs/dbraw/zinc/09/34/20/945093420.db2.gz WXRPQMISHMFQCA-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccnn1C ZINC001317593485 945093434 /nfs/dbraw/zinc/09/34/34/945093434.db2.gz WXRPQMISHMFQCA-OAHLLOKOSA-N 1 3 307.442 0.843 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001486728068 945099552 /nfs/dbraw/zinc/09/95/52/945099552.db2.gz PYNYWJYADKACJD-NEPJUHHUSA-N 1 3 323.441 0.612 20 0 DCADHO CN(C)C(=O)CN1CC2(C1)CC[NH+](CCN1CCCCC1)CC2 ZINC001278147597 945155283 /nfs/dbraw/zinc/15/52/83/945155283.db2.gz YIQABTZPQIXYBL-UHFFFAOYSA-N 1 3 322.497 0.958 20 0 DCADHO CN1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278149054 945156838 /nfs/dbraw/zinc/15/68/38/945156838.db2.gz VRCWPHLVNZYUHN-JJRVBVJISA-N 1 3 317.437 0.690 20 0 DCADHO CN1CCC[C@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)NCc3cnc[nH]3)C2)C1 ZINC001278149054 945156847 /nfs/dbraw/zinc/15/68/47/945156847.db2.gz VRCWPHLVNZYUHN-JJRVBVJISA-N 1 3 317.437 0.690 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)CCc1ccnn1C ZINC001480874415 939119594 /nfs/dbraw/zinc/11/95/94/939119594.db2.gz CWZIIZSZSLRROF-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO CN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)CCc1ccnn1C ZINC001480874415 939119599 /nfs/dbraw/zinc/11/95/99/939119599.db2.gz CWZIIZSZSLRROF-HNNXBMFYSA-N 1 3 321.469 0.885 20 0 DCADHO CN(CC(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1)C1CCC1 ZINC001266530420 939153307 /nfs/dbraw/zinc/15/33/07/939153307.db2.gz BHZBHCJZYJTBPG-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)C1CCN(C(=O)C23CC(NCc4c[nH]cn4)(C2)C3)CC1 ZINC001278344760 945232344 /nfs/dbraw/zinc/23/23/44/945232344.db2.gz CMMDRDKGBODQPM-UHFFFAOYSA-N 1 3 317.437 0.975 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccnn2C)CC[N@@H+]1C ZINC001266706509 939216555 /nfs/dbraw/zinc/21/65/55/939216555.db2.gz RTEWUMDRATWEFX-LSDHHAIUSA-N 1 3 307.442 0.698 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccnn2C)CC[N@H+]1C ZINC001266706509 939216556 /nfs/dbraw/zinc/21/65/56/939216556.db2.gz RTEWUMDRATWEFX-LSDHHAIUSA-N 1 3 307.442 0.698 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267389855 939446374 /nfs/dbraw/zinc/44/63/74/939446374.db2.gz GYRYSCOIGRGZMW-UHFFFAOYSA-N 1 3 319.453 0.844 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001480946074 939465902 /nfs/dbraw/zinc/46/59/02/939465902.db2.gz IPYBNWOMJHOING-RYUDHWBXSA-N 1 3 305.369 0.410 20 0 DCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)CCO[C@H]1CC1(F)F ZINC001480946074 939465904 /nfs/dbraw/zinc/46/59/04/939465904.db2.gz IPYBNWOMJHOING-RYUDHWBXSA-N 1 3 305.369 0.410 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496207493 939468256 /nfs/dbraw/zinc/46/82/56/939468256.db2.gz QDPXCWREJIFMDE-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO C[C@H](CNCc1cnn(C)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496207493 939468260 /nfs/dbraw/zinc/46/82/60/939468260.db2.gz QDPXCWREJIFMDE-ZIAGYGMSSA-N 1 3 307.442 0.698 20 0 DCADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)[C@@H]1CCCN1C ZINC001408800261 939659419 /nfs/dbraw/zinc/65/94/19/939659419.db2.gz RYLCAEPRBHRNKZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)[C@@H]1CCCN1C ZINC001408800261 939659420 /nfs/dbraw/zinc/65/94/20/939659420.db2.gz RYLCAEPRBHRNKZ-GJZGRUSLSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)[C@@H](C(=O)N(C)CCNCC(=O)N(C)C(C)C)[NH+](C)C ZINC001481243589 939665018 /nfs/dbraw/zinc/66/50/18/939665018.db2.gz XQXQOTOGJBKUJH-HNNXBMFYSA-N 1 3 314.474 0.487 20 0 DCADHO CCNC(=O)C[NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001267915475 939703841 /nfs/dbraw/zinc/70/38/41/939703841.db2.gz JCMXXGYATPXYKK-UHFFFAOYSA-N 1 3 321.425 0.307 20 0 DCADHO CN(CC(=O)N(C)CC[NH2+]CCn1cncn1)CC(C)(C)C ZINC001481280017 939704409 /nfs/dbraw/zinc/70/44/09/939704409.db2.gz SCOHETGNNUEORI-UHFFFAOYSA-N 1 3 310.446 0.304 20 0 DCADHO Cc1noc(CCC[NH2+]CCN(C)C(=O)CN2CC[C@@H](C)C2)n1 ZINC001481280541 939706389 /nfs/dbraw/zinc/70/63/89/939706389.db2.gz UAHDVFKMDUTGOB-CYBMUJFWSA-N 1 3 323.441 0.700 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001481315299 939743093 /nfs/dbraw/zinc/74/30/93/939743093.db2.gz VMRRVOGXFZVUEL-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(C)(C)C ZINC001481315299 939743095 /nfs/dbraw/zinc/74/30/95/939743095.db2.gz VMRRVOGXFZVUEL-STQMWFEESA-N 1 3 312.458 0.289 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001481459434 939807090 /nfs/dbraw/zinc/80/70/90/939807090.db2.gz ZOUGPKLGYIOCSN-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001481459434 939807093 /nfs/dbraw/zinc/80/70/93/939807093.db2.gz ZOUGPKLGYIOCSN-ZIAGYGMSSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481498205 939902945 /nfs/dbraw/zinc/90/29/45/939902945.db2.gz PJFHLHCAIICJTG-ZIAGYGMSSA-N 1 3 324.469 0.372 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001481903305 940176864 /nfs/dbraw/zinc/17/68/64/940176864.db2.gz CMAGVWAPFMAGSJ-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC(N)=O)C1)N(C)C ZINC001481988432 940200918 /nfs/dbraw/zinc/20/09/18/940200918.db2.gz QZBARBVXBFOTEF-HIFRSBDPSA-N 1 3 312.458 0.276 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@H](O)COc1ccc(CCO)cc1 ZINC001245983316 945305305 /nfs/dbraw/zinc/30/53/05/945305305.db2.gz ODTJJTRSUYJMMW-OIISXLGYSA-N 1 3 322.449 0.796 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482065304 940241915 /nfs/dbraw/zinc/24/19/15/940241915.db2.gz XBBCZMZJEMZKPI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482065304 940241916 /nfs/dbraw/zinc/24/19/16/940241916.db2.gz XBBCZMZJEMZKPI-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CCn1cc(CC[NH2+]C/C=C\CNC(=O)[C@H]2CCCN2C)cn1 ZINC001268576484 940251251 /nfs/dbraw/zinc/25/12/51/940251251.db2.gz WAWPDOOUDHEHRJ-YIEVGGLXSA-N 1 3 319.453 0.802 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482102069 940257162 /nfs/dbraw/zinc/25/71/62/940257162.db2.gz IZBUDKYOFZKMQA-NQBHXWOUSA-N 1 3 311.455 0.720 20 0 DCADHO C[C@H](CNCc1cnns1)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482102069 940257165 /nfs/dbraw/zinc/25/71/65/940257165.db2.gz IZBUDKYOFZKMQA-NQBHXWOUSA-N 1 3 311.455 0.720 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)CC[NH+](C)C)C(=O)N1CCCCC1 ZINC001268587389 940271241 /nfs/dbraw/zinc/27/12/41/940271241.db2.gz ISDJWONOGJRCQV-LLYBFZRZSA-N 1 3 324.469 0.601 20 0 DCADHO CNC(=O)[C@H](CCCC[NH3+])NC[C@H](O)c1ccc(F)c(F)c1 ZINC001246018521 945315749 /nfs/dbraw/zinc/31/57/49/945315749.db2.gz GGOZQKRENIREHN-KBPBESRZSA-N 1 3 315.364 0.831 20 0 DCADHO CCOC(=O)[C@]12C[N@H+](C[C@@H](O)COC(C)C)C[C@H]1CNCC2 ZINC001246047763 945328431 /nfs/dbraw/zinc/32/84/31/945328431.db2.gz SYHSCRNLDLUYNZ-IIAWOOMASA-N 1 3 314.426 0.247 20 0 DCADHO CCOC(=O)[C@]12C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]1CNCC2 ZINC001246047763 945328434 /nfs/dbraw/zinc/32/84/34/945328434.db2.gz SYHSCRNLDLUYNZ-IIAWOOMASA-N 1 3 314.426 0.247 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CCN1CCCC1=O ZINC001270174341 940849941 /nfs/dbraw/zinc/84/99/41/940849941.db2.gz LCDUHCPFRFRSMY-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)N3CCOCC3)CC2)CCN1 ZINC001246190567 945361880 /nfs/dbraw/zinc/36/18/80/945361880.db2.gz OOTTZPVWQXVMJZ-ZFWWWQNUSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CC2(C1)CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001271054086 941248912 /nfs/dbraw/zinc/24/89/12/941248912.db2.gz UMVXLBKWXWHTCC-UHFFFAOYSA-N 1 3 322.453 0.128 20 0 DCADHO C[C@@H](C[NH2+]CCc1ccnn1C)N(C)C(=O)Cc1c[nH]cn1 ZINC001271120836 941270453 /nfs/dbraw/zinc/27/04/53/941270453.db2.gz JFUDKXIZCHXQEY-LBPRGKRZSA-N 1 3 304.398 0.365 20 0 DCADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C)N1CCCC1 ZINC001271213990 941323945 /nfs/dbraw/zinc/32/39/45/941323945.db2.gz KLFPLFGNWNQMIA-HRCADAONSA-N 1 3 308.470 0.708 20 0 DCADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCN1CCN(C)CC1 ZINC001272018065 941524680 /nfs/dbraw/zinc/52/46/80/941524680.db2.gz KZFVYNSRYNAIGU-MQVJKMGUSA-N 1 3 308.470 0.755 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001482734417 941641435 /nfs/dbraw/zinc/64/14/35/941641435.db2.gz JXHPHQLKCCXJTA-JKSUJKDBSA-N 1 3 320.437 0.523 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001482734417 941641437 /nfs/dbraw/zinc/64/14/37/941641437.db2.gz JXHPHQLKCCXJTA-JKSUJKDBSA-N 1 3 320.437 0.523 20 0 DCADHO Cc1cncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001482787424 941671600 /nfs/dbraw/zinc/67/16/00/941671600.db2.gz KKXSKBYBOCVEEM-HZPDHXFCSA-N 1 3 322.453 0.543 20 0 DCADHO C[C@H](CCNCc1cnns1)NC(=O)C1CC[NH+](C)CC1 ZINC001482866717 941693512 /nfs/dbraw/zinc/69/35/12/941693512.db2.gz CGJBRGXSHGULNG-LLVKDONJSA-N 1 3 311.455 0.864 20 0 DCADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482931721 941711412 /nfs/dbraw/zinc/71/14/12/941711412.db2.gz VBOSAXJTZPSWKX-CQSZACIVSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482923722 941712856 /nfs/dbraw/zinc/71/28/56/941712856.db2.gz CZSCHTVFVCQHNE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482923722 941712859 /nfs/dbraw/zinc/71/28/59/941712859.db2.gz CZSCHTVFVCQHNE-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482930277 941715270 /nfs/dbraw/zinc/71/52/70/941715270.db2.gz PMPNBFQFDITRJG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001482930277 941715276 /nfs/dbraw/zinc/71/52/76/941715276.db2.gz PMPNBFQFDITRJG-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO C[C@@H](NC/C=C/CNC(=O)C1(C[NH+](C)C)CCCCC1)C(N)=O ZINC001483038051 941791880 /nfs/dbraw/zinc/79/18/80/941791880.db2.gz RPNKJXHIKHTOLS-HSBSLETESA-N 1 3 324.469 0.634 20 0 DCADHO C[C@@H](NCc1cncn1C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409426884 941992066 /nfs/dbraw/zinc/99/20/66/941992066.db2.gz ZQEWJCRZFIOVDI-OLZOCXBDSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001483296913 942246642 /nfs/dbraw/zinc/24/66/42/942246642.db2.gz TUCFIOROPZEBIB-GJZGRUSLSA-N 1 3 324.469 0.578 20 0 DCADHO COc1ccnc(CNCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001483508853 942395285 /nfs/dbraw/zinc/39/52/85/942395285.db2.gz CMFHFLJEOKMEAV-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO COc1ccnc(CNCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001483508853 942395287 /nfs/dbraw/zinc/39/52/87/942395287.db2.gz CMFHFLJEOKMEAV-AWEZNQCLSA-N 1 3 320.437 0.980 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)CCC1 ZINC001493210084 942429076 /nfs/dbraw/zinc/42/90/76/942429076.db2.gz GMLKKWQMRURWMF-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CCC1 ZINC001493210084 942429078 /nfs/dbraw/zinc/42/90/78/942429078.db2.gz GMLKKWQMRURWMF-LSDHHAIUSA-N 1 3 309.454 0.945 20 0 DCADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1CC ZINC001483623178 942559347 /nfs/dbraw/zinc/55/93/47/942559347.db2.gz VSVGACAYGOXTCH-JSGCOSHPSA-N 1 3 321.425 0.305 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001272383746 942728179 /nfs/dbraw/zinc/72/81/79/942728179.db2.gz JISPCIABYZVAQJ-UONOGXRCSA-N 1 3 310.442 0.045 20 0 DCADHO CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001272383744 942728412 /nfs/dbraw/zinc/72/84/12/942728412.db2.gz JISPCIABYZVAQJ-KBPBESRZSA-N 1 3 310.442 0.045 20 0 DCADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1([NH+](C)C)CCCC1 ZINC001434121200 942889225 /nfs/dbraw/zinc/88/92/25/942889225.db2.gz YUQOHDRVZNTLOK-ZDUSSCGKSA-N 1 3 310.442 0.439 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2)CC(C)(C)C ZINC001484320176 943320486 /nfs/dbraw/zinc/32/04/86/943320486.db2.gz JHWRWADDGVLLHK-ZNMIVQPWSA-N 1 3 311.470 0.926 20 0 DCADHO CN(CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2)CC(C)(C)C ZINC001484320176 943320489 /nfs/dbraw/zinc/32/04/89/943320489.db2.gz JHWRWADDGVLLHK-ZNMIVQPWSA-N 1 3 311.470 0.926 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793846 943387261 /nfs/dbraw/zinc/38/72/61/943387261.db2.gz NQPACRKWVQFKPO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCC[C@H](C)NC(=O)CNCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493793846 943387266 /nfs/dbraw/zinc/38/72/66/943387266.db2.gz NQPACRKWVQFKPO-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CCn2cncn2)C1)N(C)C ZINC001484547141 943448994 /nfs/dbraw/zinc/44/89/94/943448994.db2.gz NKAWQOWMBGAUBE-LSDHHAIUSA-N 1 3 322.457 0.447 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001484660399 943497944 /nfs/dbraw/zinc/49/79/44/943497944.db2.gz HUDATDRAAKBPGG-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO Cn1cncc1CNC1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001484660399 943497948 /nfs/dbraw/zinc/49/79/48/943497948.db2.gz HUDATDRAAKBPGG-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO CCCCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001484662345 943499668 /nfs/dbraw/zinc/49/96/68/943499668.db2.gz DGONZRUYRWUFJQ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO CCCCNC(=O)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001484662345 943499670 /nfs/dbraw/zinc/49/96/70/943499670.db2.gz DGONZRUYRWUFJQ-AWEZNQCLSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001490897675 943586080 /nfs/dbraw/zinc/58/60/80/943586080.db2.gz NOYBCAXYVYUGRJ-AVGNSLFASA-N 1 3 310.442 0.184 20 0 DCADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)CCC1 ZINC001490897838 943587110 /nfs/dbraw/zinc/58/71/10/943587110.db2.gz PNBOFBZCXZRPEL-HDJSIYSDSA-N 1 3 305.426 0.604 20 0 DCADHO CCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485165050 943733696 /nfs/dbraw/zinc/73/36/96/943733696.db2.gz FBTCJAIYDNSZBP-KBPBESRZSA-N 1 3 324.469 0.624 20 0 DCADHO CCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001485165051 943733733 /nfs/dbraw/zinc/73/37/33/943733733.db2.gz FBTCJAIYDNSZBP-KGLIPLIRSA-N 1 3 324.469 0.624 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001491192101 943821598 /nfs/dbraw/zinc/82/15/98/943821598.db2.gz ZFUPGMCXTKHKLQ-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001491271627 943888291 /nfs/dbraw/zinc/88/82/91/943888291.db2.gz PKKLAMICRSCOOD-OAHLLOKOSA-N 1 3 322.457 0.589 20 0 DCADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC1(CNCC(N)=O)CCCCC1 ZINC001485449277 943943644 /nfs/dbraw/zinc/94/36/44/943943644.db2.gz KBFKWUXDXQYCRZ-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO C[N@H+]1CCC[C@H]1CCC(=O)NC1(CNCC(N)=O)CCCCC1 ZINC001485449277 943943647 /nfs/dbraw/zinc/94/36/47/943943647.db2.gz KBFKWUXDXQYCRZ-AWEZNQCLSA-N 1 3 324.469 0.755 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001491457244 944011363 /nfs/dbraw/zinc/01/13/63/944011363.db2.gz OYSIZHAWTJUVKD-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCCC1 ZINC001491457244 944011371 /nfs/dbraw/zinc/01/13/71/944011371.db2.gz OYSIZHAWTJUVKD-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001485702913 944094113 /nfs/dbraw/zinc/09/41/13/944094113.db2.gz INNKLCJMOPVLAH-IHRRRGAJSA-N 1 3 310.442 0.091 20 0 DCADHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC001203010141 944142198 /nfs/dbraw/zinc/14/21/98/944142198.db2.gz IPQFAHGXNQMVBS-UHFFFAOYSA-N 1 3 311.455 0.961 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001485825318 944200322 /nfs/dbraw/zinc/20/03/22/944200322.db2.gz ARJWDYJSPUPPJD-SWLSCSKDSA-N 1 3 306.410 0.815 20 0 DCADHO COCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001276820540 944315117 /nfs/dbraw/zinc/31/51/17/944315117.db2.gz MVORVKKQUIBQPT-HUUCEWRRSA-N 1 3 315.458 0.569 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485875972 944377337 /nfs/dbraw/zinc/37/73/37/944377337.db2.gz DQUFIGJYJVKZKX-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485875972 944377343 /nfs/dbraw/zinc/37/73/43/944377343.db2.gz DQUFIGJYJVKZKX-MGPQQGTHSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CCc1ccnn1C ZINC001485922916 944404655 /nfs/dbraw/zinc/40/46/55/944404655.db2.gz TUVDQMVCWJGZNB-GJZGRUSLSA-N 1 3 321.469 0.741 20 0 DCADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)N[C@H]1CCNC1=O ZINC001485960197 944448755 /nfs/dbraw/zinc/44/87/55/944448755.db2.gz BJUCQOJXQAOBEH-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO COCCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC001486132160 944588762 /nfs/dbraw/zinc/58/87/62/944588762.db2.gz ZWPZSLLYUZHMOA-HUUCEWRRSA-N 1 3 313.442 0.324 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C1 ZINC001317127235 944811553 /nfs/dbraw/zinc/81/15/53/944811553.db2.gz FYAPEENKFUHPCB-ZNMIVQPWSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H](O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C3CCCC3)C[C@H]12 ZINC001277959697 945062919 /nfs/dbraw/zinc/06/29/19/945062919.db2.gz BHFIWZORBHGJRL-FVQBIDKESA-N 1 3 321.465 0.822 20 0 DCADHO C[C@@H](O)CN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C3CCCC3)C[C@H]12 ZINC001277959697 945062929 /nfs/dbraw/zinc/06/29/29/945062929.db2.gz BHFIWZORBHGJRL-FVQBIDKESA-N 1 3 321.465 0.822 20 0 DCADHO c1nc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)cc(OCC2CC2)n1 ZINC001246436563 945409824 /nfs/dbraw/zinc/40/98/24/945409824.db2.gz XKEANLRSFWZATC-CYBMUJFWSA-N 1 3 303.410 0.449 20 0 DCADHO C[C@H]1C[C@@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)CC[NH2+]1 ZINC001246745981 945480534 /nfs/dbraw/zinc/48/05/34/945480534.db2.gz QHJDFTHJNLUKAL-ZFWWWQNUSA-N 1 3 319.453 0.651 20 0 DCADHO CCN1CC[C@]2(CCCN([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246758240 945483150 /nfs/dbraw/zinc/48/31/50/945483150.db2.gz SGOMOQNNQPYKBX-ZBFHGGJFSA-N 1 3 306.454 0.415 20 0 DCADHO C[C@@H]1C[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CC[NH2+]1 ZINC001246761423 945484778 /nfs/dbraw/zinc/48/47/78/945484778.db2.gz SLPLGXGBNXHRAM-YPMHNXCESA-N 1 3 317.437 0.982 20 0 DCADHO O=C(C1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1)C(F)(F)F ZINC001246800409 945494766 /nfs/dbraw/zinc/49/47/66/945494766.db2.gz ZKFPKWOMZQRLHP-NSHDSACASA-N 1 3 305.344 0.924 20 0 DCADHO CCCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319130247 945502659 /nfs/dbraw/zinc/50/26/59/945502659.db2.gz SEILGHSIOVZFPX-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCCCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319130247 945502665 /nfs/dbraw/zinc/50/26/65/945502665.db2.gz SEILGHSIOVZFPX-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO Clc1ccc(N2CCN([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)nc1 ZINC001246854477 945505162 /nfs/dbraw/zinc/50/51/62/945505162.db2.gz UUUFXRBCTGZMBL-CQSZACIVSA-N 1 3 321.856 0.951 20 0 DCADHO Clc1ccc(N2CCN([C@H]3CCNC4(C[NH2+]C4)C3)CC2)nn1 ZINC001246868422 945510010 /nfs/dbraw/zinc/51/00/10/945510010.db2.gz BPUQRQHYBRRBLI-LBPRGKRZSA-N 1 3 322.844 0.346 20 0 DCADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C[NH2+]CCO ZINC001319245898 945531924 /nfs/dbraw/zinc/53/19/24/945531924.db2.gz PNTUVRYHDVQHIP-SWLSCSKDSA-N 1 3 303.422 0.533 20 0 DCADHO CN1CCN(c2ccccc2-c2noc(C[C@@H](N)C[NH3+])n2)CC1 ZINC001249130183 945620995 /nfs/dbraw/zinc/62/09/95/945620995.db2.gz WSSMVZGSINJJAO-GFCCVEGCSA-N 1 3 316.409 0.317 20 0 DCADHO CN1CCCN(CC[NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC001252301384 945884404 /nfs/dbraw/zinc/88/44/04/945884404.db2.gz ZKUOAJUJORJSFN-SFHVURJKSA-N 1 3 321.465 0.791 20 0 DCADHO CCC[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252781735 946000131 /nfs/dbraw/zinc/00/01/31/946000131.db2.gz XKWLQPHFCWNTTP-MRXNPFEDSA-N 1 3 321.465 0.972 20 0 DCADHO CCC[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252781735 946000145 /nfs/dbraw/zinc/00/01/45/946000145.db2.gz XKWLQPHFCWNTTP-MRXNPFEDSA-N 1 3 321.465 0.972 20 0 DCADHO CCN(CCNCc1cnn(C)c1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320738151 946000381 /nfs/dbraw/zinc/00/03/81/946000381.db2.gz SRFNIXZSQDCOAC-MRXNPFEDSA-N 1 3 319.453 0.700 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@@H+](C[C@H](C)O)C[C@]2(C)C1 ZINC001410190253 946009849 /nfs/dbraw/zinc/00/98/49/946009849.db2.gz VPFPDBVIMVTUDP-BHYGNILZSA-N 1 3 311.470 0.878 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)O)C[C@]2(C)C1 ZINC001410190253 946009859 /nfs/dbraw/zinc/00/98/59/946009859.db2.gz VPFPDBVIMVTUDP-BHYGNILZSA-N 1 3 311.470 0.878 20 0 DCADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)C(=O)N(C)C ZINC001410233092 946071555 /nfs/dbraw/zinc/07/15/55/946071555.db2.gz GGWHXGSLQMJCOC-MGPQQGTHSA-N 1 3 324.469 0.432 20 0 DCADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001410296318 946161657 /nfs/dbraw/zinc/16/16/57/946161657.db2.gz WPEUZXZTNXIHMX-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001410319192 946183317 /nfs/dbraw/zinc/18/33/17/946183317.db2.gz AYJGCMSBFGSRAV-HOTGVXAUSA-N 1 3 319.453 0.698 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](CNCc1cnn(C)c1)C1CC1 ZINC001410319192 946183328 /nfs/dbraw/zinc/18/33/28/946183328.db2.gz AYJGCMSBFGSRAV-HOTGVXAUSA-N 1 3 319.453 0.698 20 0 DCADHO NC(=O)C1CN(CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254040716 946221650 /nfs/dbraw/zinc/22/16/50/946221650.db2.gz WOEQZORWGJEHNP-UHFFFAOYSA-N 1 3 303.406 0.431 20 0 DCADHO NC(=O)C1C[NH+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040716 946221660 /nfs/dbraw/zinc/22/16/60/946221660.db2.gz WOEQZORWGJEHNP-UHFFFAOYSA-N 1 3 303.406 0.431 20 0 DCADHO CCCN(C)CC(=O)NC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001410397564 946305924 /nfs/dbraw/zinc/30/59/24/946305924.db2.gz SVDJPDUCSOBPTC-ZDUSSCGKSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@H](N[C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001410424106 946345787 /nfs/dbraw/zinc/34/57/87/946345787.db2.gz XETJTDPOZAZILR-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO CC[C@@H](C(=O)N1CCO[C@H](CNCCF)C1)[NH+](CC)CC ZINC001273316302 946491234 /nfs/dbraw/zinc/49/12/34/946491234.db2.gz QOZXWRAJWDRXKU-KGLIPLIRSA-N 1 3 303.422 0.893 20 0 DCADHO COC(=O)[C@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255586246 946531268 /nfs/dbraw/zinc/53/12/68/946531268.db2.gz BXHFGVIOBNQQTD-GHMZBOCLSA-N 1 3 301.387 0.333 20 0 DCADHO COc1cccc(OC)c1CN1CCC([NH2+]C[C@H](O)CN)CC1 ZINC001255921691 946562006 /nfs/dbraw/zinc/56/20/06/946562006.db2.gz JZYZRUUIPAAOBY-CQSZACIVSA-N 1 3 323.437 0.577 20 0 DCADHO CCOC(=O)N1CC[C@H]([NH+]2CCC(N3CCN(C)CC3)CC2)C1 ZINC001256036506 946575354 /nfs/dbraw/zinc/57/53/54/946575354.db2.gz XCDAFZQHIPVGRW-INIZCTEOSA-N 1 3 324.469 0.929 20 0 DCADHO CN(C)C1(C(=O)N(C)CCC[NH2+]CCN2CCCC2=O)CCC1 ZINC001322543258 946716657 /nfs/dbraw/zinc/71/66/57/946716657.db2.gz JSQRMPITIYAWPC-UHFFFAOYSA-N 1 3 324.469 0.531 20 0 DCADHO C[NH+]1CCC2(CN(C3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC001257240721 946721204 /nfs/dbraw/zinc/72/12/04/946721204.db2.gz IUEBPRIVRFEOGO-UHFFFAOYSA-N 1 3 301.456 0.438 20 0 DCADHO CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)C1=O ZINC001322649364 946757360 /nfs/dbraw/zinc/75/73/60/946757360.db2.gz WCDKMPHLNZVRNV-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001325514094 947823689 /nfs/dbraw/zinc/82/36/89/947823689.db2.gz ZPLQPWFRIJLFOU-SOUVJXGZSA-N 1 3 324.469 0.528 20 0 DCADHO CCc1nc([C@H](C)N[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)n[nH]1 ZINC001179486338 947850752 /nfs/dbraw/zinc/85/07/52/947850752.db2.gz JRMROPBRJDPQRS-AVGNSLFASA-N 1 3 322.457 0.959 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001179534958 947857365 /nfs/dbraw/zinc/85/73/65/947857365.db2.gz ZVYQIABAJNXJPP-ILXRZTDVSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617693 947878007 /nfs/dbraw/zinc/87/80/07/947878007.db2.gz LVBQKWSQIZQNJJ-FZMZJTMJSA-N 1 3 319.409 0.057 20 0 DCADHO CNC(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179651513 947881606 /nfs/dbraw/zinc/88/16/06/947881606.db2.gz GTKAMNYJRXLBQV-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779366 947904225 /nfs/dbraw/zinc/90/42/25/947904225.db2.gz LPNMTYCSYSQNFJ-KBPBESRZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cncn1C ZINC001273715022 948044569 /nfs/dbraw/zinc/04/45/69/948044569.db2.gz WWFDNIUVCJHUHT-HZPDHXFCSA-N 1 3 319.453 0.937 20 0 DCADHO CN(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cncn1C ZINC001273715022 948044577 /nfs/dbraw/zinc/04/45/77/948044577.db2.gz WWFDNIUVCJHUHT-HZPDHXFCSA-N 1 3 319.453 0.937 20 0 DCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC001327282971 948450347 /nfs/dbraw/zinc/45/03/47/948450347.db2.gz RKJFCUHSPHDKOB-ZDUSSCGKSA-N 1 3 324.469 0.195 20 0 DCADHO C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1=CC[N@H+](C)CC1 ZINC001327472303 948522452 /nfs/dbraw/zinc/52/24/52/948522452.db2.gz OREAYCREZBFCKY-JTQLQIEISA-N 1 3 320.397 0.091 20 0 DCADHO C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1=CC[N@@H+](C)CC1 ZINC001327472303 948522462 /nfs/dbraw/zinc/52/24/62/948522462.db2.gz OREAYCREZBFCKY-JTQLQIEISA-N 1 3 320.397 0.091 20 0 DCADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CC(N)=O ZINC001263958499 948816343 /nfs/dbraw/zinc/81/63/43/948816343.db2.gz NYBZISRLJQVSFC-ZIAGYGMSSA-N 1 3 312.458 0.420 20 0 DCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001488872430 949274920 /nfs/dbraw/zinc/27/49/20/949274920.db2.gz MOXYSIDTFWRNFP-IHRRRGAJSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001488881082 949342850 /nfs/dbraw/zinc/34/28/50/949342850.db2.gz XUYBKOHPKVFWEN-JOCQHMNTSA-N 1 3 308.430 0.140 20 0 DCADHO C[NH+]1CCC(O)(CNCc2cccc(S(C)(=O)=O)c2)CC1 ZINC001364610806 949635361 /nfs/dbraw/zinc/63/53/61/949635361.db2.gz ZTSJRNQQBZIGSZ-UHFFFAOYSA-N 1 3 312.435 0.636 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001489234784 949653099 /nfs/dbraw/zinc/65/30/99/949653099.db2.gz UOVPAXICHJRMGY-LSDHHAIUSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)[C@H]1CCN(CC)C1 ZINC001329749444 949842906 /nfs/dbraw/zinc/84/29/06/949842906.db2.gz LWHJUNFCPKFUGB-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC1(N2CCOCC2)CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001364753171 949877258 /nfs/dbraw/zinc/87/72/58/949877258.db2.gz WSOHLNZJLQGPHD-UHFFFAOYSA-N 1 3 310.442 0.635 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001489653535 949924297 /nfs/dbraw/zinc/92/42/97/949924297.db2.gz OTPACJFKAGTJNF-HUUCEWRRSA-N 1 3 324.469 0.338 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001489745190 949979750 /nfs/dbraw/zinc/97/97/50/949979750.db2.gz DXELSABTEJOROO-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001489745190 949979761 /nfs/dbraw/zinc/97/97/61/949979761.db2.gz DXELSABTEJOROO-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CN(CCCNC(=O)CCC[NH+](C)C)[C@H]1CCCN(C)C1=O ZINC001265912156 950129692 /nfs/dbraw/zinc/12/96/92/950129692.db2.gz PMGMVUODIFXNQS-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCn2cccn2)C1)N(C)C ZINC001266028978 950274102 /nfs/dbraw/zinc/27/41/02/950274102.db2.gz HWLXHPXJBOLRNM-HUUCEWRRSA-N 1 3 307.442 0.661 20 0 DCADHO CCCN(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCOC)C1 ZINC001330425803 950383317 /nfs/dbraw/zinc/38/33/17/950383317.db2.gz NMPNFLRPKAAORU-KBPBESRZSA-N 1 3 301.431 0.180 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCCCN1CC[NH+](CC2CC2)CC1 ZINC001490473091 950719722 /nfs/dbraw/zinc/71/97/22/950719722.db2.gz FBIFLZREWUDBRU-MRXNPFEDSA-N 1 3 308.470 0.615 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001330955747 950790594 /nfs/dbraw/zinc/79/05/94/950790594.db2.gz SZUTWFCONPHUFT-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H](CCCNCc1cnnn1C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001330955747 950790609 /nfs/dbraw/zinc/79/06/09/950790609.db2.gz SZUTWFCONPHUFT-KBPBESRZSA-N 1 3 322.457 0.531 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001331119089 950929432 /nfs/dbraw/zinc/92/94/32/950929432.db2.gz LSKRRXVOYQQYDL-RQJABVFESA-N 1 3 310.442 0.171 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001490711535 951027440 /nfs/dbraw/zinc/02/74/40/951027440.db2.gz ZFMBIJZWPPHWQT-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)N(C)C ZINC001365824089 951588074 /nfs/dbraw/zinc/58/80/74/951588074.db2.gz BZXZGFZLNXQPOD-BARDWOONSA-N 1 3 324.469 0.288 20 0 DCADHO CN(CC(=O)NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001365833621 951598127 /nfs/dbraw/zinc/59/81/27/951598127.db2.gz JSVIHPDGVRJWIW-UMVBOHGHSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCn1cccn1 ZINC001275459549 952162679 /nfs/dbraw/zinc/16/26/79/952162679.db2.gz SJHVSMQORJYEKS-GJZGRUSLSA-N 1 3 307.442 0.852 20 0 DCADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)CC(C)(C)O)C[C@H](C)O1 ZINC001335349997 952522923 /nfs/dbraw/zinc/52/29/23/952522923.db2.gz BZNZHQJASCTHFI-ZNMIVQPWSA-N 1 3 302.459 0.987 20 0 DCADHO CCN1CCN(CC[NH2+]C[C@H](O)COc2cccc(C)c2)CC1 ZINC001335350383 952522891 /nfs/dbraw/zinc/52/28/91/952522891.db2.gz DTNNFDILLOIPHK-KRWDZBQOSA-N 1 3 321.465 0.962 20 0 DCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001336193990 952658966 /nfs/dbraw/zinc/65/89/66/952658966.db2.gz RYRKEDOFIQAMQP-LSDHHAIUSA-N 1 3 311.474 0.454 20 0 DCADHO CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(Cc1cncn1C)CC2 ZINC001276144847 952942486 /nfs/dbraw/zinc/94/24/86/952942486.db2.gz INNWBOKVWFIXQV-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO CN(C)C(=O)C[N@H+]1CCC2(C1)CCN(Cc1cncn1C)CC2 ZINC001276144847 952942491 /nfs/dbraw/zinc/94/24/91/952942491.db2.gz INNWBOKVWFIXQV-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001343392482 953343389 /nfs/dbraw/zinc/34/33/89/953343389.db2.gz BICWUHUWEZOUSS-KBXIAJHMSA-N 1 3 315.458 0.208 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001343541479 953352415 /nfs/dbraw/zinc/35/24/15/953352415.db2.gz JIGUIIHFWYFMOF-PBHICJAKSA-N 1 3 323.437 0.520 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001365886484 953359138 /nfs/dbraw/zinc/35/91/38/953359138.db2.gz FVVJGNVTAAVUIW-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001365886484 953359143 /nfs/dbraw/zinc/35/91/43/953359143.db2.gz FVVJGNVTAAVUIW-AWEZNQCLSA-N 1 3 312.458 0.564 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001366103846 953687394 /nfs/dbraw/zinc/68/73/94/953687394.db2.gz HFGBMTBUEVYSKR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001366103846 953687399 /nfs/dbraw/zinc/68/73/99/953687399.db2.gz HFGBMTBUEVYSKR-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001366112652 953701841 /nfs/dbraw/zinc/70/18/41/953701841.db2.gz RNBYTFBTVNFVKR-AJNGGQMLSA-N 1 3 313.442 0.103 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C(C)C)C1)N(C)C ZINC001366119978 953710572 /nfs/dbraw/zinc/71/05/72/953710572.db2.gz SRPKZHRTSNEESK-MGPQQGTHSA-N 1 3 312.458 0.430 20 0 DCADHO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)C(=O)N(C)C ZINC001366125221 953717661 /nfs/dbraw/zinc/71/76/61/953717661.db2.gz HXXXHOXCTZXEMC-XUXIUFHCSA-N 1 3 310.442 0.042 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C(C)C)C1)N(C)C ZINC001366136845 953727059 /nfs/dbraw/zinc/72/70/59/953727059.db2.gz SRPKZHRTSNEESK-IHRRRGAJSA-N 1 3 312.458 0.430 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001366214130 953835656 /nfs/dbraw/zinc/83/56/56/953835656.db2.gz KLVXFJRUPILLNQ-ZFWWWQNUSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001366217430 953844606 /nfs/dbraw/zinc/84/46/06/953844606.db2.gz LXLTZDYIYQVXSJ-UONOGXRCSA-N 1 3 324.469 0.433 20 0 DCADHO O=C(NCC1=CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001346478206 953898144 /nfs/dbraw/zinc/89/81/44/953898144.db2.gz LIMCFWQIGUEWKG-GJZGRUSLSA-N 1 3 308.426 0.147 20 0 DCADHO CN(C)C1(C(=O)NCCNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001283066754 953973392 /nfs/dbraw/zinc/97/33/92/953973392.db2.gz WIFSZOHFBVJFPR-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCCN(C)C1=O ZINC001366334634 954042617 /nfs/dbraw/zinc/04/26/17/954042617.db2.gz VQGYFQOUICOMDE-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001366350059 954073431 /nfs/dbraw/zinc/07/34/31/954073431.db2.gz YPSUITOSLUEPJS-CHWSQXEVSA-N 1 3 314.474 0.726 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001366349426 954074915 /nfs/dbraw/zinc/07/49/15/954074915.db2.gz BXZYVCLSJMKAMZ-NEPJUHHUSA-N 1 3 300.447 0.336 20 0 DCADHO CC(C)[C@@H](C(=O)NCCCNC(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001283208846 954140338 /nfs/dbraw/zinc/14/03/38/954140338.db2.gz OKWSPDOAVGNGSF-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001366408266 954163784 /nfs/dbraw/zinc/16/37/84/954163784.db2.gz LWNHHFORHYLJRB-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001366412466 954168652 /nfs/dbraw/zinc/16/86/52/954168652.db2.gz SYPYKXSJTAUZKZ-ZIAGYGMSSA-N 1 3 310.442 0.043 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001366417520 954172563 /nfs/dbraw/zinc/17/25/63/954172563.db2.gz YKLLQHRFSDFWOE-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC[NH+](CCOCCO)CC1)N(C)C ZINC001479895472 954185499 /nfs/dbraw/zinc/18/54/99/954185499.db2.gz KDQKWSFNLAPRDT-HNNXBMFYSA-N 1 3 315.458 0.258 20 0 DCADHO Cc1cc(CN[C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)ncn1 ZINC001366496049 954280949 /nfs/dbraw/zinc/28/09/49/954280949.db2.gz JBRIGSJVTMNFKC-ZDUSSCGKSA-N 1 3 317.437 0.865 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCn1cncn1 ZINC001366515372 954310586 /nfs/dbraw/zinc/31/05/86/954310586.db2.gz XTDZQEFDZYAQFX-HUUCEWRRSA-N 1 3 322.457 0.637 20 0 DCADHO CC[C@H](C(=O)NCC[N@H+](C)C[C@@H](O)CC(F)(F)F)N(C)C ZINC001366542502 954386835 /nfs/dbraw/zinc/38/68/35/954386835.db2.gz VTTHQTXFFCMWKL-WDEREUQCSA-N 1 3 313.364 0.688 20 0 DCADHO CC[C@H](C(=O)NCC[N@@H+](C)C[C@@H](O)CC(F)(F)F)N(C)C ZINC001366542502 954386844 /nfs/dbraw/zinc/38/68/44/954386844.db2.gz VTTHQTXFFCMWKL-WDEREUQCSA-N 1 3 313.364 0.688 20 0 DCADHO CN(CCN[C@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001366773942 954821813 /nfs/dbraw/zinc/82/18/13/954821813.db2.gz IJOUMLSGQUTZDO-AWEZNQCLSA-N 1 3 310.442 0.189 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366854596 954938423 /nfs/dbraw/zinc/93/84/23/954938423.db2.gz SPZSYMWFFMXWTQ-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366854596 954938430 /nfs/dbraw/zinc/93/84/30/954938430.db2.gz SPZSYMWFFMXWTQ-CABCVRRESA-N 1 3 324.469 0.293 20 0 DCADHO CCN(C(=O)C(=O)NC[C@@H](C)N1CCCCC1)[C@H]1CC[NH2+]C1 ZINC001349971001 954948261 /nfs/dbraw/zinc/94/82/61/954948261.db2.gz UXOMGGZLJUGOOZ-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001366884546 954990929 /nfs/dbraw/zinc/99/09/29/954990929.db2.gz RJURYVGGQQVFBL-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001366884546 954990933 /nfs/dbraw/zinc/99/09/33/954990933.db2.gz RJURYVGGQQVFBL-ZIAGYGMSSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCOCCO)C(C)(C)C1 ZINC001284349515 955025533 /nfs/dbraw/zinc/02/55/33/955025533.db2.gz PQMZXGRLMLAQOI-CQSZACIVSA-N 1 3 315.458 0.162 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NCc1nccn1C ZINC001367109324 955324120 /nfs/dbraw/zinc/32/41/20/955324120.db2.gz XLROEWQFZNZOLA-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)NCc1nccn1C ZINC001367109324 955324133 /nfs/dbraw/zinc/32/41/33/955324133.db2.gz XLROEWQFZNZOLA-KBPBESRZSA-N 1 3 307.442 0.889 20 0 DCADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001351666645 955373760 /nfs/dbraw/zinc/37/37/60/955373760.db2.gz MXEUNNACBZEHRL-OAHLLOKOSA-N 1 3 311.474 0.360 20 0 DCADHO CN1CCN(C)CCN(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001351666645 955373773 /nfs/dbraw/zinc/37/37/73/955373773.db2.gz MXEUNNACBZEHRL-OAHLLOKOSA-N 1 3 311.474 0.360 20 0 DCADHO CC[C@@H](C)NC(=O)CN[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367136115 955377864 /nfs/dbraw/zinc/37/78/64/955377864.db2.gz ILSQKEVIKDZZEV-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCCNC1=O ZINC001367242177 955512154 /nfs/dbraw/zinc/51/21/54/955512154.db2.gz KGMCFQDIHDFVGL-OCCSQVGLSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC001353237797 955987796 /nfs/dbraw/zinc/98/77/96/955987796.db2.gz GCCACIZTIVXSIR-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO CC[N@H+](C)CCC(=O)NCCCN(C)C(=O)[C@H]1CCCN1C ZINC001294316167 957512793 /nfs/dbraw/zinc/51/27/93/957512793.db2.gz ZZYNHLAKKNKSKJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCCCN(C)C(=O)[C@H]1CCCN1C ZINC001294316167 957512800 /nfs/dbraw/zinc/51/28/00/957512800.db2.gz ZZYNHLAKKNKSKJ-CQSZACIVSA-N 1 3 312.458 0.387 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001294456509 957533371 /nfs/dbraw/zinc/53/33/71/957533371.db2.gz CURIAAJMORBFHO-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001294456509 957533377 /nfs/dbraw/zinc/53/33/77/957533377.db2.gz CURIAAJMORBFHO-CYBMUJFWSA-N 1 3 321.425 0.259 20 0 DCADHO C[C@@H](C(N)=O)[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001367439219 957809273 /nfs/dbraw/zinc/80/92/73/957809273.db2.gz GSGLWIQYSOZHPY-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO C[C@@H](C(N)=O)[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001367439219 957809280 /nfs/dbraw/zinc/80/92/80/957809280.db2.gz GSGLWIQYSOZHPY-DZGCQCFKSA-N 1 3 324.469 0.515 20 0 DCADHO COC[C@H](O)CN(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001367538642 957992700 /nfs/dbraw/zinc/99/27/00/957992700.db2.gz UIPVPLVGEGGKEE-CQSZACIVSA-N 1 3 315.458 0.258 20 0 DCADHO Cn1nccc1CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001367554274 958025439 /nfs/dbraw/zinc/02/54/39/958025439.db2.gz JJNUADPBPDRTSA-HOCLYGCPSA-N 1 3 319.453 0.795 20 0 DCADHO CCN(CCN[C@@H]1CCN(C(C)C)C1=O)C(=O)CC[NH+](C)C ZINC001367649865 958268810 /nfs/dbraw/zinc/26/88/10/958268810.db2.gz UBOMOECVLSJUPO-CQSZACIVSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)CC ZINC001367673701 958332074 /nfs/dbraw/zinc/33/20/74/958332074.db2.gz HGHNZDHYRLZGTH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N(C)CC ZINC001367673701 958332083 /nfs/dbraw/zinc/33/20/83/958332083.db2.gz HGHNZDHYRLZGTH-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367695199 958390362 /nfs/dbraw/zinc/39/03/62/958390362.db2.gz UOCSIMDVLVKBMN-ZIAGYGMSSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001367775895 958552906 /nfs/dbraw/zinc/55/29/06/958552906.db2.gz KHAYQJLLQQRMEH-KBPBESRZSA-N 1 3 310.442 0.235 20 0 DCADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)[NH2+]CCn1cncn1 ZINC001376818306 958914316 /nfs/dbraw/zinc/91/43/16/958914316.db2.gz DQHHIZYTNZAQQP-HUUCEWRRSA-N 1 3 322.457 0.637 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001368156198 959351522 /nfs/dbraw/zinc/35/15/22/959351522.db2.gz FNZLOPIVHFVOQD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001368156198 959351536 /nfs/dbraw/zinc/35/15/36/959351536.db2.gz FNZLOPIVHFVOQD-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1nccn1C ZINC001492026806 959560457 /nfs/dbraw/zinc/56/04/57/959560457.db2.gz ATYZAWATLFQFFI-MGPQQGTHSA-N 1 3 307.442 0.745 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1nccn1C ZINC001492026806 959560470 /nfs/dbraw/zinc/56/04/70/959560470.db2.gz ATYZAWATLFQFFI-MGPQQGTHSA-N 1 3 307.442 0.745 20 0 DCADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](CC2CC(C)C2)C1 ZINC001368284189 959607420 /nfs/dbraw/zinc/60/74/20/959607420.db2.gz USZYGTAHPZBNRP-DQPZFDDXSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC(C)C2)C1 ZINC001368284189 959607429 /nfs/dbraw/zinc/60/74/29/959607429.db2.gz USZYGTAHPZBNRP-DQPZFDDXSA-N 1 3 311.470 0.927 20 0 DCADHO CCCN(C)CC(=O)NCC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001377252977 959796163 /nfs/dbraw/zinc/79/61/63/959796163.db2.gz FENLIHLJNQNNIO-CYBMUJFWSA-N 1 3 308.430 0.155 20 0 DCADHO CCCN(C)CC(=O)NCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001377252977 959796174 /nfs/dbraw/zinc/79/61/74/959796174.db2.gz FENLIHLJNQNNIO-CYBMUJFWSA-N 1 3 308.430 0.155 20 0 DCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)CCOCC(F)F ZINC001492402622 959924944 /nfs/dbraw/zinc/92/49/44/959924944.db2.gz PMMQTQGLEFPUCC-UHFFFAOYSA-N 1 3 307.385 0.658 20 0 DCADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N(C)CC1CC1 ZINC001368649117 960123005 /nfs/dbraw/zinc/12/30/05/960123005.db2.gz GCWPCKKMTQXHQB-ZFWWWQNUSA-N 1 3 324.469 0.243 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001377466053 960146150 /nfs/dbraw/zinc/14/61/50/960146150.db2.gz GCNWSRVECTXASV-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001377466053 960146157 /nfs/dbraw/zinc/14/61/57/960146157.db2.gz GCNWSRVECTXASV-CABCVRRESA-N 1 3 307.442 0.661 20 0 DCADHO CC[C@H](C(=O)NC1(CO)CC[NH+](C[C@@H](C)OC)CC1)N(C)C ZINC001377562364 960286021 /nfs/dbraw/zinc/28/60/21/960286021.db2.gz LWKFCLBEAAEQKO-ZIAGYGMSSA-N 1 3 315.458 0.305 20 0 DCADHO CC(C)N1CC[C@H]([NH2+]CCN(C)C(=O)CN(C)C2CCC2)C1=O ZINC001377573550 960302148 /nfs/dbraw/zinc/30/21/48/960302148.db2.gz KGXHWLPHOVMYSA-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001377586432 960321626 /nfs/dbraw/zinc/32/16/26/960321626.db2.gz IIHDXOSQEHFFOQ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCn1cccn1 ZINC001377621972 960362962 /nfs/dbraw/zinc/36/29/62/960362962.db2.gz AODJWYIICRLYPP-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCn1cccn1 ZINC001377621972 960362968 /nfs/dbraw/zinc/36/29/68/960362968.db2.gz AODJWYIICRLYPP-HZPDHXFCSA-N 1 3 319.453 0.900 20 0 DCADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)NC2CC2)C1)N(C)C ZINC001377737720 960536080 /nfs/dbraw/zinc/53/60/80/960536080.db2.gz WJOSVBLPXHKJSH-UBHUBRDASA-N 1 3 310.442 0.090 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001363230588 960655117 /nfs/dbraw/zinc/65/51/17/960655117.db2.gz DWNSHUBWCJKSPZ-BFHYXJOUSA-N 1 3 313.442 0.574 20 0 DCADHO CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001363230588 960655130 /nfs/dbraw/zinc/65/51/30/960655130.db2.gz DWNSHUBWCJKSPZ-BFHYXJOUSA-N 1 3 313.442 0.574 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001377806165 960699863 /nfs/dbraw/zinc/69/98/63/960699863.db2.gz LEDVBPOHCRCNIQ-OLZOCXBDSA-N 1 3 312.458 0.432 20 0 DCADHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H](C)C(N)=O)CCCCC1 ZINC001378413660 960724812 /nfs/dbraw/zinc/72/48/12/960724812.db2.gz AFDIVBFAMBRSEF-ZDUSSCGKSA-N 1 3 312.458 0.611 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001378424158 960737426 /nfs/dbraw/zinc/73/74/26/960737426.db2.gz HIKPZUCLBKIVIK-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NCC(=O)N1CCCC1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001377834058 960767594 /nfs/dbraw/zinc/76/75/94/960767594.db2.gz APURIWFBUIMVIM-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@H](CNCC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001378445272 960769725 /nfs/dbraw/zinc/76/97/25/960769725.db2.gz WJZNKPDQKUJYAD-ZIAGYGMSSA-N 1 3 310.442 0.078 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001378498455 960869146 /nfs/dbraw/zinc/86/91/46/960869146.db2.gz SMLHPMCYONLLAX-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001378498455 960869163 /nfs/dbraw/zinc/86/91/63/960869163.db2.gz SMLHPMCYONLLAX-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001378507987 960898108 /nfs/dbraw/zinc/89/81/08/960898108.db2.gz PRBIDOUHDTZLOZ-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001377919574 960973769 /nfs/dbraw/zinc/97/37/69/960973769.db2.gz XGRLNWVLKISWRG-UONOGXRCSA-N 1 3 312.458 0.481 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)CC[N@H+](C)CC)N(C)C ZINC001378556870 961008776 /nfs/dbraw/zinc/00/87/76/961008776.db2.gz ZQSSOBPJMCKPKP-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC)N(C)C ZINC001378556870 961008791 /nfs/dbraw/zinc/00/87/91/961008791.db2.gz ZQSSOBPJMCKPKP-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)n(C)n1)N(C)C ZINC001378610158 961123045 /nfs/dbraw/zinc/12/30/45/961123045.db2.gz UHKWTTZEIQWACZ-WFASDCNBSA-N 1 3 309.458 0.911 20 0 DCADHO NCc1cn([C@H]2CCCN(C(=O)CC3CC[NH2+]CC3)C2)nn1 ZINC001549046895 1013246505 /nfs/dbraw/zinc/24/65/05/1013246505.db2.gz BZQHPXWWRKHEAK-AWEZNQCLSA-N 1 3 306.414 0.290 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(C)C)N(C)C ZINC001378772451 961447328 /nfs/dbraw/zinc/44/73/28/961447328.db2.gz AQYWFAAYOIWDLF-QWHCGFSZSA-N 1 3 300.447 0.288 20 0 DCADHO CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001378809004 961519394 /nfs/dbraw/zinc/51/93/94/961519394.db2.gz JKIAFZSTUGKEJA-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001378859624 961619114 /nfs/dbraw/zinc/61/91/14/961619114.db2.gz RWJQENFOARDBLP-DZGCQCFKSA-N 1 3 312.458 0.289 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001378875707 961643863 /nfs/dbraw/zinc/64/38/63/961643863.db2.gz DIRWQNDPXOPWOM-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001378875707 961643872 /nfs/dbraw/zinc/64/38/72/961643872.db2.gz DIRWQNDPXOPWOM-KGLIPLIRSA-N 1 3 312.458 0.195 20 0 DCADHO CC(C)C[NH+]1CCC(C(=O)N2CC(N[C@H]3CCOC3)C2)CC1 ZINC001363678084 961680422 /nfs/dbraw/zinc/68/04/22/961680422.db2.gz MRHGGLXDTWLKLE-HNNXBMFYSA-N 1 3 309.454 0.944 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@H+](C)C[C@H](O)COC)CC1)N(C)C ZINC001378905221 961686601 /nfs/dbraw/zinc/68/66/01/961686601.db2.gz PHQYGRGTGZAREV-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)C[C@H](O)COC)CC1)N(C)C ZINC001378905221 961686606 /nfs/dbraw/zinc/68/66/06/961686606.db2.gz PHQYGRGTGZAREV-GJZGRUSLSA-N 1 3 315.458 0.257 20 0 DCADHO CC1(N2CCOCC2)CCC([NH2+]CC(=O)N2CCCO2)CC1 ZINC001363683413 961695173 /nfs/dbraw/zinc/69/51/73/961695173.db2.gz BWPYNROLUGTNTK-UHFFFAOYSA-N 1 3 311.426 0.773 20 0 DCADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001378928427 961719779 /nfs/dbraw/zinc/71/97/79/961719779.db2.gz UMCLTMSSZLLOMZ-GFCCVEGCSA-N 1 3 310.442 0.125 20 0 DCADHO CN(C)C(=O)CN(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001378935240 961728989 /nfs/dbraw/zinc/72/89/89/961728989.db2.gz QZLPMVWHKAYRAZ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C)C(=O)CN(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001378935240 961729004 /nfs/dbraw/zinc/72/90/04/961729004.db2.gz QZLPMVWHKAYRAZ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO O=C([C@@H]1CCN(c2cc[nH+]cc2)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001363758275 961820509 /nfs/dbraw/zinc/82/05/09/961820509.db2.gz WZOXYBUCTUJOOK-KGLIPLIRSA-N 1 3 316.405 0.497 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cnnn1C ZINC001378994955 961829379 /nfs/dbraw/zinc/82/93/79/961829379.db2.gz DYWLCRFMZWAJET-UKRRQHHQSA-N 1 3 322.457 0.387 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cnnn1C ZINC001378994955 961829392 /nfs/dbraw/zinc/82/93/92/961829392.db2.gz DYWLCRFMZWAJET-UKRRQHHQSA-N 1 3 322.457 0.387 20 0 DCADHO COC[C@@H](O)CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379725929 961862578 /nfs/dbraw/zinc/86/25/78/961862578.db2.gz SGSXAXOWFCBSGS-AJNGGQMLSA-N 1 3 315.458 0.161 20 0 DCADHO COC[C@@H](O)CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379725929 961862602 /nfs/dbraw/zinc/86/26/02/961862602.db2.gz SGSXAXOWFCBSGS-AJNGGQMLSA-N 1 3 315.458 0.161 20 0 DCADHO CCOC[C@@H](O)CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001363853697 962027758 /nfs/dbraw/zinc/02/77/58/962027758.db2.gz SIKOOCOMHWBLQU-HNNXBMFYSA-N 1 3 300.443 0.697 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)NCC)CCC1 ZINC001447199595 1013307108 /nfs/dbraw/zinc/30/71/08/1013307108.db2.gz NVGSIIWPYLOSBI-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCC(=O)NCC)CCC1 ZINC001447199595 1013307127 /nfs/dbraw/zinc/30/71/27/1013307127.db2.gz NVGSIIWPYLOSBI-CQSZACIVSA-N 1 3 324.469 0.625 20 0 DCADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccsc1)N(C)C ZINC001379865467 962173654 /nfs/dbraw/zinc/17/36/54/962173654.db2.gz FKUWIDJQXVNIDQ-KGLIPLIRSA-N 1 3 313.467 0.997 20 0 DCADHO CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001379218439 962388916 /nfs/dbraw/zinc/38/89/16/962388916.db2.gz IQIVTZAZBJYHFD-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379278382 962528303 /nfs/dbraw/zinc/52/83/03/962528303.db2.gz BGOVTNMPRXNDNR-UKRRQHHQSA-N 1 3 322.453 0.662 20 0 DCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@@H]21 ZINC001364223131 962700506 /nfs/dbraw/zinc/70/05/06/962700506.db2.gz YAPDURGKDRXDDX-TUVASFSCSA-N 1 3 308.426 0.195 20 0 DCADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C[C@@H]21 ZINC001364223131 962700525 /nfs/dbraw/zinc/70/05/25/962700525.db2.gz YAPDURGKDRXDDX-TUVASFSCSA-N 1 3 308.426 0.195 20 0 DCADHO Cn1cncc1CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001380279364 962981348 /nfs/dbraw/zinc/98/13/48/962981348.db2.gz GTRQPQMKRXGOKT-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CCC[NH+]1CCCC1 ZINC001379464928 962984219 /nfs/dbraw/zinc/98/42/19/962984219.db2.gz LXXFHOCNJXTLKP-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001379580589 963211943 /nfs/dbraw/zinc/21/19/43/963211943.db2.gz IDSORKYBXJLRSZ-KBPBESRZSA-N 1 3 324.469 0.432 20 0 DCADHO CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001379598231 963243767 /nfs/dbraw/zinc/24/37/67/963243767.db2.gz KJPAXOOGAYECLP-DZGCQCFKSA-N 1 3 312.458 0.337 20 0 DCADHO CC(C)N1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001380731366 963532243 /nfs/dbraw/zinc/53/22/43/963532243.db2.gz HCWDPFKBHCKUGW-RDJZCZTQSA-N 1 3 309.454 0.680 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001380942946 963700275 /nfs/dbraw/zinc/70/02/75/963700275.db2.gz YACQECCMQHWXSV-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001380942946 963700279 /nfs/dbraw/zinc/70/02/79/963700279.db2.gz YACQECCMQHWXSV-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001380966539 963727231 /nfs/dbraw/zinc/72/72/31/963727231.db2.gz RPXDKGYXTWVKQE-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001380966539 963727238 /nfs/dbraw/zinc/72/72/38/963727238.db2.gz RPXDKGYXTWVKQE-KBPBESRZSA-N 1 3 312.458 0.372 20 0 DCADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O ZINC001368923629 964133640 /nfs/dbraw/zinc/13/36/40/964133640.db2.gz JZAHPXOYKFFVPM-LBPRGKRZSA-N 1 3 300.447 0.275 20 0 DCADHO CO[C@@H](C)CN1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001373647388 964419208 /nfs/dbraw/zinc/41/92/08/964419208.db2.gz NNDCTZJUEDIATQ-UONOGXRCSA-N 1 3 313.442 0.323 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]([NH2+][C@H]1CCNC1=O)C(C)C)N(C)C ZINC001369195694 964512243 /nfs/dbraw/zinc/51/22/43/964512243.db2.gz NMPRWFOSDUPHIM-HZSPNIEDSA-N 1 3 312.458 0.336 20 0 DCADHO CC[C@H](C(=O)NCC[C@@H]([NH2+][C@@H]1CCNC1=O)C(C)C)N(C)C ZINC001369195695 964512986 /nfs/dbraw/zinc/51/29/86/964512986.db2.gz NMPRWFOSDUPHIM-MGPQQGTHSA-N 1 3 312.458 0.336 20 0 DCADHO CN(C(=O)CC[NH+]1CCCCC1)[C@H](CNCC(N)=O)C1CC1 ZINC001369217612 964541459 /nfs/dbraw/zinc/54/14/59/964541459.db2.gz BLSCCINWILNHGV-CQSZACIVSA-N 1 3 310.442 0.174 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001369227173 964551616 /nfs/dbraw/zinc/55/16/16/964551616.db2.gz MMAJBQTVNUAXRZ-UONOGXRCSA-N 1 3 310.442 0.043 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369281238 964643972 /nfs/dbraw/zinc/64/39/72/964643972.db2.gz BTRQZOPGQJQNBT-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CCCNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369281238 964643982 /nfs/dbraw/zinc/64/39/82/964643982.db2.gz BTRQZOPGQJQNBT-KBPBESRZSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)c1n[nH]c(C)n1 ZINC001369290088 964664217 /nfs/dbraw/zinc/66/42/17/964664217.db2.gz OHPIEIHFADRVKW-VXGBXAGGSA-N 1 3 310.446 0.952 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)c1n[nH]c(C)n1 ZINC001369290088 964664221 /nfs/dbraw/zinc/66/42/21/964664221.db2.gz OHPIEIHFADRVKW-VXGBXAGGSA-N 1 3 310.446 0.952 20 0 DCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC2CC2)CC1)N(C)C ZINC001373914432 964778878 /nfs/dbraw/zinc/77/88/78/964778878.db2.gz DVYSBUMNJWRGDT-BPLDGKMQSA-N 1 3 324.469 0.622 20 0 DCADHO Cc1cc(C)cc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001369378102 964855828 /nfs/dbraw/zinc/85/58/28/964855828.db2.gz ARXCVGMKQKQIJG-SJORKVTESA-N 1 3 319.449 0.822 20 0 DCADHO Cc1cc(C)cc(CN[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001369378102 964855835 /nfs/dbraw/zinc/85/58/35/964855835.db2.gz ARXCVGMKQKQIJG-SJORKVTESA-N 1 3 319.449 0.822 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C[C@H]1C ZINC001369407120 964912372 /nfs/dbraw/zinc/91/23/72/964912372.db2.gz YSOLLOSVTKWKAP-HUUCEWRRSA-N 1 3 321.469 0.882 20 0 DCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC2CC2)C[C@@H]1C ZINC001369407095 964913094 /nfs/dbraw/zinc/91/30/94/964913094.db2.gz YORJANOTAWVROE-JSGCOSHPSA-N 1 3 310.442 0.184 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001369439708 964977036 /nfs/dbraw/zinc/97/70/36/964977036.db2.gz ZZHRWPSCSDVNRW-DZGCQCFKSA-N 1 3 324.469 0.480 20 0 DCADHO CC(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001369527140 965140322 /nfs/dbraw/zinc/14/03/22/965140322.db2.gz NMDPYNGMBBWJEF-HUUCEWRRSA-N 1 3 301.475 0.980 20 0 DCADHO CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001369527140 965140327 /nfs/dbraw/zinc/14/03/27/965140327.db2.gz NMDPYNGMBBWJEF-HUUCEWRRSA-N 1 3 301.475 0.980 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001374215261 965141251 /nfs/dbraw/zinc/14/12/51/965141251.db2.gz DTAXVQZRPKFHDQ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001374215261 965141256 /nfs/dbraw/zinc/14/12/56/965141256.db2.gz DTAXVQZRPKFHDQ-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374220482 965149603 /nfs/dbraw/zinc/14/96/03/965149603.db2.gz BYVMDWOQFQGCAY-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374220482 965149615 /nfs/dbraw/zinc/14/96/15/965149615.db2.gz BYVMDWOQFQGCAY-BFHYXJOUSA-N 1 3 312.458 0.288 20 0 DCADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001374245164 965178915 /nfs/dbraw/zinc/17/89/15/965178915.db2.gz AIRCFIIJQJBPEX-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1)N(C)C ZINC001369580126 965192317 /nfs/dbraw/zinc/19/23/17/965192317.db2.gz VTDQUXNJFOFHNM-PIMMBPRGSA-N 1 3 307.442 0.839 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001376107433 965200492 /nfs/dbraw/zinc/20/04/92/965200492.db2.gz QNGCSWACNBUAOF-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001376107433 965200501 /nfs/dbraw/zinc/20/05/01/965200501.db2.gz QNGCSWACNBUAOF-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001376107446 965201278 /nfs/dbraw/zinc/20/12/78/965201278.db2.gz QNGCSWACNBUAOF-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001376107446 965201285 /nfs/dbraw/zinc/20/12/85/965201285.db2.gz QNGCSWACNBUAOF-JKSUJKDBSA-N 1 3 308.470 0.757 20 0 DCADHO Cc1cc(CNCC2CC(NC(=O)CC[NH+](C)C)C2)ncn1 ZINC001447803717 1013555164 /nfs/dbraw/zinc/55/51/64/1013555164.db2.gz IQNFRXSODCYQNU-UHFFFAOYSA-N 1 3 305.426 0.721 20 0 DCADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCC(=O)NC1CC1)[NH+](C)C ZINC001374285556 965228205 /nfs/dbraw/zinc/22/82/05/965228205.db2.gz RUBVUOWGKSLGQU-IUODEOHRSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1nc(CNC[C@H](C)N(C)C(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001374294526 965240928 /nfs/dbraw/zinc/24/09/28/965240928.db2.gz RIPMIJQJONWBSU-LBPRGKRZSA-N 1 3 322.457 0.782 20 0 DCADHO CC(C)C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CN(C)C(C)C ZINC001374365077 965315034 /nfs/dbraw/zinc/31/50/34/965315034.db2.gz FXXFCAJMMOUZRC-KBPBESRZSA-N 1 3 312.458 0.336 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001374400052 965343264 /nfs/dbraw/zinc/34/32/64/965343264.db2.gz XCSJKBISSXPUNV-OLZOCXBDSA-N 1 3 321.425 0.305 20 0 DCADHO CN(CCC1CCN(C(=O)CCC[NH+](C)C)CC1)CC(N)=O ZINC001374402664 965345813 /nfs/dbraw/zinc/34/58/13/965345813.db2.gz BTGWSWNVPKVUEK-UHFFFAOYSA-N 1 3 312.458 0.374 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](CNC(=O)CN(C)C(C)C)C2CC2)C1=O ZINC001376284184 965479414 /nfs/dbraw/zinc/47/94/14/965479414.db2.gz ZQIMTJCRFXEWIG-CABCVRRESA-N 1 3 324.469 0.432 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1nnc(C)[nH]1 ZINC001374568496 965546052 /nfs/dbraw/zinc/54/60/52/965546052.db2.gz DMSRQPIIDCEWJX-UONOGXRCSA-N 1 3 322.457 0.829 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1nnc(C)[nH]1 ZINC001374568496 965546057 /nfs/dbraw/zinc/54/60/57/965546057.db2.gz DMSRQPIIDCEWJX-UONOGXRCSA-N 1 3 322.457 0.829 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001376365876 965577381 /nfs/dbraw/zinc/57/73/81/965577381.db2.gz KXBFLWFQQBGPBA-JOCQHMNTSA-N 1 3 310.442 0.186 20 0 DCADHO CN1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCF)CC1 ZINC001376416667 965631753 /nfs/dbraw/zinc/63/17/53/965631753.db2.gz SYDBEAPFAFPBAT-AWEZNQCLSA-N 1 3 300.422 0.220 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001374645456 965692494 /nfs/dbraw/zinc/69/24/94/965692494.db2.gz XBBIYOMFJHQESB-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001374645456 965692502 /nfs/dbraw/zinc/69/25/02/965692502.db2.gz XBBIYOMFJHQESB-HNNXBMFYSA-N 1 3 324.469 0.528 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374713959 965800263 /nfs/dbraw/zinc/80/02/63/965800263.db2.gz PMVLFJNMQRDILT-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374713959 965800272 /nfs/dbraw/zinc/80/02/72/965800272.db2.gz PMVLFJNMQRDILT-MGPQQGTHSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CN[C@H](C)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001376580668 965851642 /nfs/dbraw/zinc/85/16/42/965851642.db2.gz XGAKOAIPWCJFQX-CYBMUJFWSA-N 1 3 320.437 0.651 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001374757355 965874444 /nfs/dbraw/zinc/87/44/44/965874444.db2.gz SPZAGXQSCHNGND-ZWNOBZJWSA-N 1 3 306.414 0.049 20 0 DCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001376608517 965884508 /nfs/dbraw/zinc/88/45/08/965884508.db2.gz IIVHPVYCVNVSPO-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]21)N(C)C ZINC001376642999 965929085 /nfs/dbraw/zinc/92/90/85/965929085.db2.gz CAZJCGUSGXXMLT-AALSBFMBSA-N 1 3 309.454 0.800 20 0 DCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]21)N(C)C ZINC001376642999 965929097 /nfs/dbraw/zinc/92/90/97/965929097.db2.gz CAZJCGUSGXXMLT-AALSBFMBSA-N 1 3 309.454 0.800 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)CCC[NH+]1CCCC1 ZINC001374855039 966035959 /nfs/dbraw/zinc/03/59/59/966035959.db2.gz WGDVISLUTHWABF-CQSZACIVSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370366571 966052411 /nfs/dbraw/zinc/05/24/11/966052411.db2.gz ZNUPSSVBHHQYQH-ZFWWWQNUSA-N 1 3 312.458 0.288 20 0 DCADHO CCCN(C)CC(=O)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001374873543 966067555 /nfs/dbraw/zinc/06/75/55/966067555.db2.gz MTWOXXNYVXPROR-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO CCCN(C)CC(=O)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001374873543 966067566 /nfs/dbraw/zinc/06/75/66/966067566.db2.gz MTWOXXNYVXPROR-AWEZNQCLSA-N 1 3 324.469 0.245 20 0 DCADHO C[C@H](NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001370395327 966076683 /nfs/dbraw/zinc/07/66/83/966076683.db2.gz QVPRGXWINNUHHI-AEGPPILISA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C1CC1 ZINC001376729883 966082228 /nfs/dbraw/zinc/08/22/28/966082228.db2.gz YGNUHWOGHMIQMA-WFASDCNBSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001370405159 966086698 /nfs/dbraw/zinc/08/66/98/966086698.db2.gz MWOODGPBRHOHBG-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO CC(C)NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001370405159 966086708 /nfs/dbraw/zinc/08/67/08/966086708.db2.gz MWOODGPBRHOHBG-KGLIPLIRSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC(=O)N(C)C ZINC001376740340 966099088 /nfs/dbraw/zinc/09/90/88/966099088.db2.gz AEEBQQXTAREHLO-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC(=O)N(C)C ZINC001376740340 966099099 /nfs/dbraw/zinc/09/90/99/966099099.db2.gz AEEBQQXTAREHLO-HIFRSBDPSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@H](C(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001374900308 966114640 /nfs/dbraw/zinc/11/46/40/966114640.db2.gz FSSAXTOYHMUSLN-HUUCEWRRSA-N 1 3 324.469 0.241 20 0 DCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001370549090 966234904 /nfs/dbraw/zinc/23/49/04/966234904.db2.gz SPQUNUUDQLYNSL-MGPQQGTHSA-N 1 3 320.441 0.344 20 0 DCADHO COC[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001370788959 966477954 /nfs/dbraw/zinc/47/79/54/966477954.db2.gz JOLYLFCJXSPGFM-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO COC[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001370788959 966477959 /nfs/dbraw/zinc/47/79/59/966477959.db2.gz JOLYLFCJXSPGFM-GJZGRUSLSA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H](NCc1cnn(C)c1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447937958 1013659922 /nfs/dbraw/zinc/65/99/22/1013659922.db2.gz VGKDIMMMHQOLFL-STQMWFEESA-N 1 3 305.426 0.499 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001381607801 966576338 /nfs/dbraw/zinc/57/63/38/966576338.db2.gz KJTSFKQNCFFBCQ-HIFRSBDPSA-N 1 3 322.453 0.662 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)c(=O)c1)N(C)C ZINC001381607801 966576345 /nfs/dbraw/zinc/57/63/45/966576345.db2.gz KJTSFKQNCFFBCQ-HIFRSBDPSA-N 1 3 322.453 0.662 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001370946047 966610528 /nfs/dbraw/zinc/61/05/28/966610528.db2.gz DZEMJCGUKMMUHM-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1 ZINC001370968465 966627148 /nfs/dbraw/zinc/62/71/48/966627148.db2.gz UUFZLENBJQOFHC-UONOGXRCSA-N 1 3 310.442 0.187 20 0 DCADHO CNC(=O)CNCC1(NC(=O)C2(C[NH+](C)C)CC2)CCCCC1 ZINC001381725830 966652654 /nfs/dbraw/zinc/65/26/54/966652654.db2.gz CPEVBOLKWIZOPU-UHFFFAOYSA-N 1 3 324.469 0.483 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)CC1(C)C ZINC001381880082 966749186 /nfs/dbraw/zinc/74/91/86/966749186.db2.gz VBSITSAWGFGMKY-UONOGXRCSA-N 1 3 315.458 0.162 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C[C@H](O)COC)CC1(C)C ZINC001381880082 966749190 /nfs/dbraw/zinc/74/91/90/966749190.db2.gz VBSITSAWGFGMKY-UONOGXRCSA-N 1 3 315.458 0.162 20 0 DCADHO COC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001381930372 966787379 /nfs/dbraw/zinc/78/73/79/966787379.db2.gz UANZITURCIXTLP-DOERSZECSA-N 1 3 306.410 0.590 20 0 DCADHO COC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001381930372 966787388 /nfs/dbraw/zinc/78/73/88/966787388.db2.gz UANZITURCIXTLP-DOERSZECSA-N 1 3 306.410 0.590 20 0 DCADHO CCN(C(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001371204401 966811100 /nfs/dbraw/zinc/81/11/00/966811100.db2.gz RIFREBWGGZHKSN-CYBMUJFWSA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCc1cnn(C)c1)N(C)C ZINC001371212019 966816735 /nfs/dbraw/zinc/81/67/35/966816735.db2.gz LAVLATNTIGMLKT-ZFWWWQNUSA-N 1 3 309.458 0.643 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC001381989074 966846538 /nfs/dbraw/zinc/84/65/38/966846538.db2.gz MEZOSXPAVORBFA-ZDUSSCGKSA-N 1 3 312.458 0.515 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC001381989074 966846552 /nfs/dbraw/zinc/84/65/52/966846552.db2.gz MEZOSXPAVORBFA-ZDUSSCGKSA-N 1 3 312.458 0.515 20 0 DCADHO C[C@H](NC[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001382038682 966882519 /nfs/dbraw/zinc/88/25/19/966882519.db2.gz MVFRIQDKBQQQNM-ZFWWWQNUSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001382069880 966913046 /nfs/dbraw/zinc/91/30/46/966913046.db2.gz PWKBCDSKYIAVRS-DZGCQCFKSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)C(=O)[C@@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001371418455 966976446 /nfs/dbraw/zinc/97/64/46/966976446.db2.gz METCQGWKMHQAGK-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)C(=O)NC1CC1 ZINC001371510306 967060500 /nfs/dbraw/zinc/06/05/00/967060500.db2.gz NFYCDMUGWYZQNV-JSGCOSHPSA-N 1 3 322.453 0.328 20 0 DCADHO CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001371516049 967064058 /nfs/dbraw/zinc/06/40/58/967064058.db2.gz XYEKHECHBVPDDA-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCCN(C(=O)CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001371533517 967090372 /nfs/dbraw/zinc/09/03/72/967090372.db2.gz YVFFFHCXIBLWBM-CABCVRRESA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CCCC2)C1 ZINC001371539739 967099664 /nfs/dbraw/zinc/09/96/64/967099664.db2.gz XXYSNTDMMNLATP-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC2CCCC2)C1 ZINC001371539739 967099674 /nfs/dbraw/zinc/09/96/74/967099674.db2.gz XXYSNTDMMNLATP-HNNXBMFYSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+]1CCC(CC(=O)NC[C@H](CO)NCc2ccccc2)CC1 ZINC001382250588 967121126 /nfs/dbraw/zinc/12/11/26/967121126.db2.gz UCLUNCFSABVCCK-QGZVFWFLSA-N 1 3 319.449 0.985 20 0 DCADHO COc1cncc(CNC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001371602505 967163044 /nfs/dbraw/zinc/16/30/44/967163044.db2.gz DZRYEBWEGOEZAQ-CYBMUJFWSA-N 1 3 321.425 0.375 20 0 DCADHO C[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)CN1C(=O)CN1CCCC1 ZINC001382317654 967208987 /nfs/dbraw/zinc/20/89/87/967208987.db2.gz UDZUJNWSLXSBKF-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001371887444 967419651 /nfs/dbraw/zinc/41/96/51/967419651.db2.gz LJWQXGAKHQVNHI-KBPBESRZSA-N 1 3 322.457 0.590 20 0 DCADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCc1ccnn1C ZINC001371971687 967502135 /nfs/dbraw/zinc/50/21/35/967502135.db2.gz WQGPUGRZHJYKKP-INIZCTEOSA-N 1 3 319.453 0.352 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001372043764 967597293 /nfs/dbraw/zinc/59/72/93/967597293.db2.gz RJXSPDQPKQTASC-CQSZACIVSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N(C)CCN[C@H]1CCCNC1=O)[NH+](CC)CC ZINC001372944967 968554743 /nfs/dbraw/zinc/55/47/43/968554743.db2.gz IYHWDCYTXCXRDB-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CCCC[C@@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001372948959 968558591 /nfs/dbraw/zinc/55/85/91/968558591.db2.gz RRJXKEZZOKALMM-CQSZACIVSA-N 1 3 312.458 0.420 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001373089373 968703937 /nfs/dbraw/zinc/70/39/37/968703937.db2.gz QAQSQGIBAVMFCE-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)CN1CC[C@@H](C)C1 ZINC001373089373 968703941 /nfs/dbraw/zinc/70/39/41/968703941.db2.gz QAQSQGIBAVMFCE-KGLIPLIRSA-N 1 3 312.458 0.291 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)CCn2cncn2)C1 ZINC001373319297 968934230 /nfs/dbraw/zinc/93/42/30/968934230.db2.gz ZWPUZJLLEMOUAV-OAHLLOKOSA-N 1 3 322.457 0.399 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCn2cncn2)C1 ZINC001373319297 968934240 /nfs/dbraw/zinc/93/42/40/968934240.db2.gz ZWPUZJLLEMOUAV-OAHLLOKOSA-N 1 3 322.457 0.399 20 0 DCADHO C[C@H](O)CCCN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001373508711 969172817 /nfs/dbraw/zinc/17/28/17/969172817.db2.gz QJGZJZCTDBCIDT-BBRMVZONSA-N 1 3 309.454 0.537 20 0 DCADHO CC[C@@H](C(=O)NCCN(C)C(=O)C12CCC[NH+]1CCC2)N(C)C ZINC001373577983 969252422 /nfs/dbraw/zinc/25/24/22/969252422.db2.gz FYNXCWADOJYZDJ-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001448527512 1013943160 /nfs/dbraw/zinc/94/31/60/1013943160.db2.gz GITTXTAFSHHHND-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CNC(=O)[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001448527512 1013943161 /nfs/dbraw/zinc/94/31/61/1013943161.db2.gz GITTXTAFSHHHND-JSGCOSHPSA-N 1 3 310.442 0.138 20 0 DCADHO CN(CCNC(=O)CN(C)C1CCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001431321964 1013995874 /nfs/dbraw/zinc/99/58/74/1013995874.db2.gz ZPRZFCHWSYJXQC-UHFFFAOYSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001448724019 1014012563 /nfs/dbraw/zinc/01/25/63/1014012563.db2.gz KWTICWHNFAWPDV-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)NC1CC1 ZINC001448724019 1014012566 /nfs/dbraw/zinc/01/25/66/1014012566.db2.gz KWTICWHNFAWPDV-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001549074405 1014130257 /nfs/dbraw/zinc/13/02/57/1014130257.db2.gz WFTBWIGJPZBPPH-NEBZKDRISA-N 1 3 305.426 0.546 20 0 DCADHO N[C@H](CC(F)F)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001549132712 1014146025 /nfs/dbraw/zinc/14/60/25/1014146025.db2.gz PXNZDVPQTLVTNY-KKOKHZNYSA-N 1 3 305.369 0.856 20 0 DCADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)C12CC[NH+](CC1)C2 ZINC001449161333 1014255592 /nfs/dbraw/zinc/25/55/92/1014255592.db2.gz OWNYNYKACAUPOM-OAHLLOKOSA-N 1 3 318.421 0.086 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549674128 1014404524 /nfs/dbraw/zinc/40/45/24/1014404524.db2.gz RKNCAFXVELZTHR-BARDWOONSA-N 1 3 320.441 0.464 20 0 DCADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001549674128 1014404527 /nfs/dbraw/zinc/40/45/27/1014404527.db2.gz RKNCAFXVELZTHR-BARDWOONSA-N 1 3 320.441 0.464 20 0 DCADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cnn3c2CNCC3)CC1 ZINC001549752230 1014445492 /nfs/dbraw/zinc/44/54/92/1014445492.db2.gz LBDDAFIWTSZMAU-DOTOQJQBSA-N 1 3 319.453 0.705 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550062356 1014540318 /nfs/dbraw/zinc/54/03/18/1014540318.db2.gz JBZJVYBXVWRBEV-OCCSQVGLSA-N 1 3 306.414 0.242 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550062356 1014540337 /nfs/dbraw/zinc/54/03/37/1014540337.db2.gz JBZJVYBXVWRBEV-OCCSQVGLSA-N 1 3 306.414 0.242 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC[N@@H+]1C ZINC001550063455 1014543120 /nfs/dbraw/zinc/54/31/20/1014543120.db2.gz UOHLEYDEFHVHQG-RBSFLKMASA-N 1 3 320.441 0.631 20 0 DCADHO CC[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC[N@H+]1C ZINC001550063455 1014543129 /nfs/dbraw/zinc/54/31/29/1014543129.db2.gz UOHLEYDEFHVHQG-RBSFLKMASA-N 1 3 320.441 0.631 20 0 DCADHO C[NH+](C)CCC(=O)NC[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001529416054 1014548806 /nfs/dbraw/zinc/54/88/06/1014548806.db2.gz QUOYRLCOHKYBLU-ZDUSSCGKSA-N 1 3 307.398 0.011 20 0 DCADHO N[C@@H](CC(F)F)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090083 1014559772 /nfs/dbraw/zinc/55/97/72/1014559772.db2.gz NAUUORCOPLMMMM-NEPJUHHUSA-N 1 3 305.369 0.586 20 0 DCADHO NCc1cn([C@@H]2CCN(C(=O)[C@]34CCC[C@@H]3[NH2+]CC4)C2)nn1 ZINC001550095161 1014567041 /nfs/dbraw/zinc/56/70/41/1014567041.db2.gz AYHNMHKSQTYLSW-IPYPFGDCSA-N 1 3 304.398 0.042 20 0 DCADHO O=C(Nc1c[nH]nc1[C@@H]1CC[NH2+]C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001550112537 1014578792 /nfs/dbraw/zinc/57/87/92/1014578792.db2.gz FDKWQQNPWJAHPH-NQBHXWOUSA-N 1 3 305.382 0.288 20 0 DCADHO N[C@H](CC1CC1)C(=O)NCc1cccc(N2CC[C@H]([NH3+])C2)n1 ZINC001550195411 1014621100 /nfs/dbraw/zinc/62/11/00/1014621100.db2.gz VPYWSPGAVOCCMS-GXTWGEPZSA-N 1 3 303.410 0.363 20 0 DCADHO N[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1F ZINC001550282872 1014649656 /nfs/dbraw/zinc/64/96/56/1014649656.db2.gz AYVMKPJFMBULSR-RWMBFGLXSA-N 1 3 314.405 0.226 20 0 DCADHO [NH3+][C@@H]1COCC[C@@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001550290229 1014655843 /nfs/dbraw/zinc/65/58/43/1014655843.db2.gz XUOUCAUSANMYKE-KFWWJZLASA-N 1 3 304.394 0.116 20 0 DCADHO Cc1c([C@@H]2CN(C[C@@H]3C[NH2+]C[C@@H]3C)C[C@H]2C(N)=O)cnn1C ZINC001550349361 1014677149 /nfs/dbraw/zinc/67/71/49/1014677149.db2.gz PNMRNZFFTCGHGB-HQRZJTNHSA-N 1 3 305.426 0.085 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449924166 1014788416 /nfs/dbraw/zinc/78/84/16/1014788416.db2.gz MWAICANWPLFTTK-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CC)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449924166 1014788427 /nfs/dbraw/zinc/78/84/27/1014788427.db2.gz MWAICANWPLFTTK-KGLIPLIRSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1C(=O)Cc1c[nH]cn1 ZINC001383489970 984900338 /nfs/dbraw/zinc/90/03/38/984900338.db2.gz IDDWKYFSJKKJNF-CHWSQXEVSA-N 1 3 321.425 0.400 20 0 DCADHO CC1([NH+]2CCC2)CCC(NC(=O)N2CCNC[C@H](O)C2)CC1 ZINC001551473516 1015109356 /nfs/dbraw/zinc/10/93/56/1015109356.db2.gz RGLXDXBZCVOVKB-BBBYJDLNSA-N 1 3 310.442 0.369 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001384480365 985612253 /nfs/dbraw/zinc/61/22/53/985612253.db2.gz VHYNKIWKUQUDPQ-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001384480365 985612258 /nfs/dbraw/zinc/61/22/58/985612258.db2.gz VHYNKIWKUQUDPQ-KFWWJZLASA-N 1 3 324.469 0.289 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)C1 ZINC001551587510 1015149227 /nfs/dbraw/zinc/14/92/27/1015149227.db2.gz WMFGCTTTXRLWAP-IQXANGCESA-N 1 3 310.442 0.666 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001385296094 986223612 /nfs/dbraw/zinc/22/36/12/986223612.db2.gz HCCJGDWTBRTUHU-HUUCEWRRSA-N 1 3 324.469 0.482 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001385628732 986484700 /nfs/dbraw/zinc/48/47/00/986484700.db2.gz SIESGQSQKBENPZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001385628732 986484703 /nfs/dbraw/zinc/48/47/03/986484703.db2.gz SIESGQSQKBENPZ-GJZGRUSLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385832488 986618542 /nfs/dbraw/zinc/61/85/42/986618542.db2.gz PVKPVHNPWCIORK-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385832488 986618545 /nfs/dbraw/zinc/61/85/45/986618545.db2.gz PVKPVHNPWCIORK-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001386008356 986752469 /nfs/dbraw/zinc/75/24/69/986752469.db2.gz PZICVIYUGQVUFF-OKILXGFUSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(CC)CC(=O)NCC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001450617945 1015252813 /nfs/dbraw/zinc/25/28/13/1015252813.db2.gz UEQBDJODAXYYHZ-UHFFFAOYSA-N 1 3 324.469 0.245 20 0 DCADHO CCN1CCC[C@H](NC(=O)N2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)C1 ZINC001552099327 1015268012 /nfs/dbraw/zinc/26/80/12/1015268012.db2.gz ZHEZLTQNODHOKS-KKUMJFAQSA-N 1 3 320.441 0.341 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001387259913 987736003 /nfs/dbraw/zinc/73/60/03/987736003.db2.gz WEHFFUXXOFSIHH-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H](C(=O)NCC1CN(C(=O)CCC[NH+](C)C)C1)N(C)C ZINC001387938026 988304435 /nfs/dbraw/zinc/30/44/35/988304435.db2.gz BLHKNURDBGJAEW-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H]2CCCN2C(=O)CC[NH+](C)C)CCC1 ZINC001388514457 988379264 /nfs/dbraw/zinc/37/92/64/988379264.db2.gz XYXQWBNANVOVKN-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001388698899 988521006 /nfs/dbraw/zinc/52/10/06/988521006.db2.gz GPPSHUVUSOGLCY-OKILXGFUSA-N 1 3 316.409 0.642 20 0 DCADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001388760438 988564212 /nfs/dbraw/zinc/56/42/12/988564212.db2.gz SENHQYCZRZTQMN-GZBFAFLISA-N 1 3 312.458 0.193 20 0 DCADHO CC(C)[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001388764337 988568573 /nfs/dbraw/zinc/56/85/73/988568573.db2.gz KZIFIUNRDKYVQN-UHFFFAOYSA-N 1 3 309.414 0.638 20 0 DCADHO Cc1c(C(=O)N2CCN[C@H](C(C)C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552426313 1015427838 /nfs/dbraw/zinc/42/78/38/1015427838.db2.gz WCABSAMRQGRGLG-OLZOCXBDSA-N 1 3 306.414 0.191 20 0 DCADHO Cc1c(C(=O)N2CCN[C@H](C(C)C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552426315 1015427988 /nfs/dbraw/zinc/42/79/88/1015427988.db2.gz WCABSAMRQGRGLG-STQMWFEESA-N 1 3 306.414 0.191 20 0 DCADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CCn2cncn2)C2CC2)CCC1 ZINC001389613519 989431406 /nfs/dbraw/zinc/43/14/06/989431406.db2.gz URFYJWMAOJUTPN-AWEZNQCLSA-N 1 3 320.441 0.247 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC001552695966 1015497293 /nfs/dbraw/zinc/49/72/93/1015497293.db2.gz YPFAGXJLSDCHNF-YRGRVCCFSA-N 1 3 306.414 0.545 20 0 DCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC001389986042 989730969 /nfs/dbraw/zinc/73/09/69/989730969.db2.gz STFNOAXAZDIQSR-XJFOESAGSA-N 1 3 320.441 0.342 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001390119261 989839482 /nfs/dbraw/zinc/83/94/82/989839482.db2.gz VBJDOQSBIYPSHF-KFWWJZLASA-N 1 3 315.458 0.162 20 0 DCADHO C[C@H]([NH2+]C1CCC(NC(=O)CN(C)C2CCC2)CC1)C(N)=O ZINC001390277376 989953905 /nfs/dbraw/zinc/95/39/05/989953905.db2.gz WXWQADULODSQPT-HIFPTAJRSA-N 1 3 310.442 0.362 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001390503835 990157023 /nfs/dbraw/zinc/15/70/23/990157023.db2.gz FRALIDKMLDTRDE-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552842368 1015549007 /nfs/dbraw/zinc/54/90/07/1015549007.db2.gz AQHIITRJJCADLE-VYDXJSESSA-N 1 3 307.438 0.888 20 0 DCADHO C[C@@H](NCCN(C)C(=O)c1ccccc1CC[NH+](C)C)C(N)=O ZINC001391209634 990670163 /nfs/dbraw/zinc/67/01/63/990670163.db2.gz CNVFTQULCSBFDX-CYBMUJFWSA-N 1 3 320.437 0.326 20 0 DCADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC)CC1)N(C)C ZINC001391240882 990693022 /nfs/dbraw/zinc/69/30/22/990693022.db2.gz FZWVEHUSIVUUSN-TZMCWYRMSA-N 1 3 312.458 0.289 20 0 DCADHO CC(C)N1CCN(CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001391339486 990759634 /nfs/dbraw/zinc/75/96/34/990759634.db2.gz XVBNTDNGLVZZRH-UHFFFAOYSA-N 1 3 310.486 0.813 20 0 DCADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC(=O)N(C)C ZINC001391703061 991114701 /nfs/dbraw/zinc/11/47/01/991114701.db2.gz MVHWOWHENZZYJE-ZDUSSCGKSA-N 1 3 310.442 0.187 20 0 DCADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H]1CCCN(C)C1=O ZINC001391750912 991157967 /nfs/dbraw/zinc/15/79/67/991157967.db2.gz GMYUSOPKLSTVOP-KBPBESRZSA-N 1 3 312.458 0.432 20 0 DCADHO CN(C)C(=O)C[NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001391807093 991195552 /nfs/dbraw/zinc/19/55/52/991195552.db2.gz VNPYYOWKQXHRBV-KRWDZBQOSA-N 1 3 324.469 0.433 20 0 DCADHO CCN(C(=O)CNC[C@H]1CCCN1C(=O)CC[NH+](C)C)C1CC1 ZINC001391866987 991240148 /nfs/dbraw/zinc/24/01/48/991240148.db2.gz VHWNNYMZKOOFHG-OAHLLOKOSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001392138631 991534812 /nfs/dbraw/zinc/53/48/12/991534812.db2.gz OQCUQJAQDBLEAB-KGLIPLIRSA-N 1 3 312.458 0.384 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001392348221 991785662 /nfs/dbraw/zinc/78/56/62/991785662.db2.gz XPYJUEULLGPYLX-CHWSQXEVSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+](C)C)C(=O)NC1CCCC1 ZINC001392592226 992133918 /nfs/dbraw/zinc/13/39/18/992133918.db2.gz JYHXYUWTNMILPE-QWHCGFSZSA-N 1 3 312.458 0.480 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001392620787 992167899 /nfs/dbraw/zinc/16/78/99/992167899.db2.gz WBVGMIKRQCQELB-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)N1CCCCC1)C1CC1 ZINC001392788145 992395168 /nfs/dbraw/zinc/39/51/68/992395168.db2.gz JLVKOWXPALVCEB-OAHLLOKOSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN(C)CC(=O)NC1(C)CC[NH+](C[C@H](O)COC)CC1 ZINC001393070283 992665273 /nfs/dbraw/zinc/66/52/73/992665273.db2.gz JKIIHARJIXWCTB-AWEZNQCLSA-N 1 3 315.458 0.306 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001393249298 992788043 /nfs/dbraw/zinc/78/80/43/992788043.db2.gz LOYZIANEVXJUFM-HOCLYGCPSA-N 1 3 315.433 0.772 20 0 DCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001393249298 992788050 /nfs/dbraw/zinc/78/80/50/992788050.db2.gz LOYZIANEVXJUFM-HOCLYGCPSA-N 1 3 315.433 0.772 20 0 DCADHO CCO[C@H](CN(C)CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001492819378 992920484 /nfs/dbraw/zinc/92/04/84/992920484.db2.gz RPLLSFCLZDBUGK-OAHLLOKOSA-N 1 3 309.454 0.945 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001393396531 992943053 /nfs/dbraw/zinc/94/30/53/992943053.db2.gz KYZOTOJGZSKLJO-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1)C1CCC1 ZINC001393489425 993029308 /nfs/dbraw/zinc/02/93/08/993029308.db2.gz MGGWOAPXNDRFEE-JOCQHMNTSA-N 1 3 310.442 0.221 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001393525740 993055967 /nfs/dbraw/zinc/05/59/67/993055967.db2.gz RLWXWKRBOQKTBH-ZIAGYGMSSA-N 1 3 322.453 0.187 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001393570175 993092441 /nfs/dbraw/zinc/09/24/41/993092441.db2.gz OUJWAPWJDKRXBA-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CCCNC(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001393570175 993092443 /nfs/dbraw/zinc/09/24/43/993092443.db2.gz OUJWAPWJDKRXBA-CYBMUJFWSA-N 1 3 310.442 0.093 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001393583668 993104661 /nfs/dbraw/zinc/10/46/61/993104661.db2.gz KJTCPRHHUKIPCP-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCc2cnn(C)c2)C1 ZINC001393583668 993104665 /nfs/dbraw/zinc/10/46/65/993104665.db2.gz KJTCPRHHUKIPCP-HNNXBMFYSA-N 1 3 323.441 0.079 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001393751430 993224435 /nfs/dbraw/zinc/22/44/35/993224435.db2.gz YRENMZHJEIARNA-DZGCQCFKSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001394010736 993409884 /nfs/dbraw/zinc/40/98/84/993409884.db2.gz ZMPMAOCFLPLMHL-KBPBESRZSA-N 1 3 324.469 0.337 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001394112933 993487380 /nfs/dbraw/zinc/48/73/80/993487380.db2.gz ODEJHHHSSFFNQQ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001394112933 993487383 /nfs/dbraw/zinc/48/73/83/993487383.db2.gz ODEJHHHSSFFNQQ-AWEZNQCLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCC[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394203646 993538286 /nfs/dbraw/zinc/53/82/86/993538286.db2.gz MPEKRDVWZQTOPT-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO CCCC[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394203646 993538292 /nfs/dbraw/zinc/53/82/92/993538292.db2.gz MPEKRDVWZQTOPT-CABCVRRESA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)N[C@H](C)C(N)=O ZINC001394540396 993811997 /nfs/dbraw/zinc/81/19/97/993811997.db2.gz FTGBCCZVWQHVHH-CHWSQXEVSA-N 1 3 320.437 0.672 20 0 DCADHO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001394620370 993920293 /nfs/dbraw/zinc/92/02/93/993920293.db2.gz PCOXTJVRLMEIMN-NWDGAFQWSA-N 1 3 307.385 0.439 20 0 DCADHO CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001394674069 994004429 /nfs/dbraw/zinc/00/44/29/994004429.db2.gz UJCWUKRFFLILCJ-DZGCQCFKSA-N 1 3 324.469 0.433 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C2CC2)[C@@H]1C ZINC001394677913 994011172 /nfs/dbraw/zinc/01/11/72/994011172.db2.gz NFQWXVAUQQCHMN-DZGCQCFKSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)CCC(=O)N1C[C@H](N[C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001394714420 994048033 /nfs/dbraw/zinc/04/80/33/994048033.db2.gz MLHOMOMOJKUDFM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1C[C@H](N[C@@H]2CCCNC2=O)C(C)(C)C1 ZINC001394714420 994048039 /nfs/dbraw/zinc/04/80/39/994048039.db2.gz MLHOMOMOJKUDFM-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001400252848 994341521 /nfs/dbraw/zinc/34/15/21/994341521.db2.gz XIUXRHYKFDJGII-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001400252848 994341532 /nfs/dbraw/zinc/34/15/32/994341532.db2.gz XIUXRHYKFDJGII-UKRRQHHQSA-N 1 3 324.469 0.372 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCc1cnn(C)c1 ZINC001400915129 995061184 /nfs/dbraw/zinc/06/11/84/995061184.db2.gz TZMWNYPSRYOOQT-UKRRQHHQSA-N 1 3 307.442 0.746 20 0 DCADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCc1cnn(C)c1 ZINC001400915129 995061192 /nfs/dbraw/zinc/06/11/92/995061192.db2.gz TZMWNYPSRYOOQT-UKRRQHHQSA-N 1 3 307.442 0.746 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001401088324 995163229 /nfs/dbraw/zinc/16/32/29/995163229.db2.gz AQIXGVLZYNGLTD-ZIAGYGMSSA-N 1 3 310.442 0.186 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCN(C)C1=O ZINC001401092096 995168114 /nfs/dbraw/zinc/16/81/14/995168114.db2.gz WMTTVADYCAMFIL-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H]1CCN(C)C1=O ZINC001401092096 995168119 /nfs/dbraw/zinc/16/81/19/995168119.db2.gz WMTTVADYCAMFIL-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCn1nnc(C)c1CN[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001397078147 995786376 /nfs/dbraw/zinc/78/63/76/995786376.db2.gz NBUADXMBFJLHFV-OKILXGFUSA-N 1 3 322.457 0.543 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001397161616 995834703 /nfs/dbraw/zinc/83/47/03/995834703.db2.gz OLKUYYXIXXYRBO-DZGCQCFKSA-N 1 3 312.458 0.241 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507124905 1016004613 /nfs/dbraw/zinc/00/46/13/1016004613.db2.gz FGPQYXTWJIXRKZ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507124905 1016004623 /nfs/dbraw/zinc/00/46/23/1016004623.db2.gz FGPQYXTWJIXRKZ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001507124905 1016004635 /nfs/dbraw/zinc/00/46/35/1016004635.db2.gz FGPQYXTWJIXRKZ-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001397670463 996124625 /nfs/dbraw/zinc/12/46/25/996124625.db2.gz GIJITEHQSVFMFZ-MQMHXKEQSA-N 1 3 310.442 0.090 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001507126011 1016008525 /nfs/dbraw/zinc/00/85/25/1016008525.db2.gz KLEYWYCWSUERLM-QWHCGFSZSA-N 1 3 314.474 0.535 20 0 DCADHO CC(C)[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CCCN1C)[NH+](C)C ZINC001397982544 996292501 /nfs/dbraw/zinc/29/25/01/996292501.db2.gz ARIAHVIERKIEHL-KGLIPLIRSA-N 1 3 312.458 0.241 20 0 DCADHO C[C@@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)N[C@@H](C)C(N)=O ZINC001507144802 1016029336 /nfs/dbraw/zinc/02/93/36/1016029336.db2.gz PODIUKQKYLYDSY-STQMWFEESA-N 1 3 324.469 0.419 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001398170580 996397783 /nfs/dbraw/zinc/39/77/83/996397783.db2.gz IJUXXIPQAOXPHV-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001398170580 996397785 /nfs/dbraw/zinc/39/77/85/996397785.db2.gz IJUXXIPQAOXPHV-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001507149337 1016033496 /nfs/dbraw/zinc/03/34/96/1016033496.db2.gz OYVQWLPWEQUPPT-KBPBESRZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001507155710 1016037907 /nfs/dbraw/zinc/03/79/07/1016037907.db2.gz TVTFDQJCZDOHBS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NC1CCCC1 ZINC001507155710 1016037920 /nfs/dbraw/zinc/03/79/20/1016037920.db2.gz TVTFDQJCZDOHBS-KGLIPLIRSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001398632428 996614665 /nfs/dbraw/zinc/61/46/65/996614665.db2.gz ZPKJEYNITBPHPD-ZZVYKPCYSA-N 1 3 310.442 0.231 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001398652781 996622311 /nfs/dbraw/zinc/62/23/11/996622311.db2.gz NPAPZMYTWROLJY-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H](CC)N(C)C)C1 ZINC001398652781 996622314 /nfs/dbraw/zinc/62/23/14/996622314.db2.gz NPAPZMYTWROLJY-LSDHHAIUSA-N 1 3 324.469 0.528 20 0 DCADHO Cn1cc(CNC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001398726492 996659024 /nfs/dbraw/zinc/65/90/24/996659024.db2.gz AFJYKJOVGHYJBD-CYBMUJFWSA-N 1 3 308.430 0.095 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC(C)(C)C ZINC001398921198 996749631 /nfs/dbraw/zinc/74/96/31/996749631.db2.gz MSXLNQXWYMRIGC-TZMCWYRMSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001398960951 996776798 /nfs/dbraw/zinc/77/67/98/996776798.db2.gz XLHJEEFUFOOBCP-ZDUSSCGKSA-N 1 3 320.437 0.464 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001399013768 996831554 /nfs/dbraw/zinc/83/15/54/996831554.db2.gz DRMOLTHKLKHBSC-VXGBXAGGSA-N 1 3 300.447 0.193 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001404344948 997016381 /nfs/dbraw/zinc/01/63/81/997016381.db2.gz OPNCPLIHHZMSEQ-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001404350361 997023964 /nfs/dbraw/zinc/02/39/64/997023964.db2.gz WHIIJGIOBWVTNE-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001404363418 997037596 /nfs/dbraw/zinc/03/75/96/997037596.db2.gz DPPXLNBUTFAKBL-KBPBESRZSA-N 1 3 324.469 0.291 20 0 DCADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001399233320 997105595 /nfs/dbraw/zinc/10/55/95/997105595.db2.gz ZRNOIWQKGYPGHV-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccnn2C)C1 ZINC001399233320 997105604 /nfs/dbraw/zinc/10/56/04/997105604.db2.gz ZRNOIWQKGYPGHV-AWEZNQCLSA-N 1 3 307.442 0.843 20 0 DCADHO Cn1ccnc1CNC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001399248838 997122494 /nfs/dbraw/zinc/12/24/94/997122494.db2.gz VOYRBHRJELVQEA-CQSZACIVSA-N 1 3 319.453 0.700 20 0 DCADHO C[NH+](C)CCC(=O)NCC[C@@H]1CCN(CC(=O)NC2CC2)C1 ZINC001404523347 997203931 /nfs/dbraw/zinc/20/39/31/997203931.db2.gz UHJIIHOVMACXSX-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO COCC[NH2+]CC1(O)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001502872722 1016112684 /nfs/dbraw/zinc/11/26/84/1016112684.db2.gz DCWKRAMSLBDYRE-UHFFFAOYSA-N 1 3 313.442 0.060 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001404653918 997335429 /nfs/dbraw/zinc/33/54/29/997335429.db2.gz KVIRDWOEPWWPRQ-UONOGXRCSA-N 1 3 324.469 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404653918 997335438 /nfs/dbraw/zinc/33/54/38/997335438.db2.gz KVIRDWOEPWWPRQ-UONOGXRCSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001404689017 997380052 /nfs/dbraw/zinc/38/00/52/997380052.db2.gz YSXICHHHLPWBOG-HIFRSBDPSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)N1CCCC1 ZINC001405340692 998129009 /nfs/dbraw/zinc/12/90/09/998129009.db2.gz PXDLWEZEXAPIEY-KGLIPLIRSA-N 1 3 312.458 0.433 20 0 DCADHO CCCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405346827 998136793 /nfs/dbraw/zinc/13/67/93/998136793.db2.gz VHDKYZIHOXHRTM-KGLIPLIRSA-N 1 3 324.469 0.481 20 0 DCADHO CCCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001405346845 998138239 /nfs/dbraw/zinc/13/82/39/998138239.db2.gz VHDKYZIHOXHRTM-UONOGXRCSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(CC)C1=O ZINC001405368204 998158809 /nfs/dbraw/zinc/15/88/09/998158809.db2.gz JKDAQMFRFDCRLX-KGLIPLIRSA-N 1 3 324.469 0.576 20 0 DCADHO Cn1nccc1CNCC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001405406513 998196043 /nfs/dbraw/zinc/19/60/43/998196043.db2.gz JJDIFNKDVGWPKT-UHFFFAOYSA-N 1 3 307.442 0.890 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001405520710 998293579 /nfs/dbraw/zinc/29/35/79/998293579.db2.gz DYLFTJHGVCSSNU-HDJSIYSDSA-N 1 3 322.457 0.672 20 0 DCADHO CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001405519223 998293675 /nfs/dbraw/zinc/29/36/75/998293675.db2.gz COHPDGCWLWHFTA-UMVBOHGHSA-N 1 3 312.458 0.336 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001511203767 1016212964 /nfs/dbraw/zinc/21/29/64/1016212964.db2.gz HTIFFEHCEMLESE-ZIAGYGMSSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H](C)C(=O)NC)N(C)C ZINC001505408642 1016217261 /nfs/dbraw/zinc/21/72/61/1016217261.db2.gz GANUETSYGKZHLB-RDBSUJKOSA-N 1 3 312.458 0.432 20 0 DCADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+][C@@H](C)C(N)=O ZINC001405734522 998512718 /nfs/dbraw/zinc/51/27/18/998512718.db2.gz IKNHDELNGZXSQK-OLZOCXBDSA-N 1 3 320.437 0.578 20 0 DCADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CN1C(=O)CC[NH+](C)C ZINC001511284956 1016247593 /nfs/dbraw/zinc/24/75/93/1016247593.db2.gz CXLLFCVCFMBDGW-KBPBESRZSA-N 1 3 324.469 0.528 20 0 DCADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C[C@@H]1C ZINC001507328396 1016254822 /nfs/dbraw/zinc/25/48/22/1016254822.db2.gz PCJNHBYWUCUFRQ-HOCLYGCPSA-N 1 3 321.469 0.883 20 0 DCADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001507444182 1016332518 /nfs/dbraw/zinc/33/25/18/1016332518.db2.gz TXJLQPNRWBQTKR-QWHCGFSZSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CCn1cccn1 ZINC001505625748 1016368230 /nfs/dbraw/zinc/36/82/30/1016368230.db2.gz NHKDPQOTVQTIKZ-KBPBESRZSA-N 1 3 307.442 0.850 20 0 DCADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C)nn1C ZINC001401154290 1000233323 /nfs/dbraw/zinc/23/33/23/1000233323.db2.gz NFPROLJQIDJPTC-CYBMUJFWSA-N 1 3 309.458 0.911 20 0 DCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H]1CC(C)(C)CO1 ZINC001418512814 1000300382 /nfs/dbraw/zinc/30/03/82/1000300382.db2.gz RJPYBGSZYOQDMG-AWEZNQCLSA-N 1 3 309.454 0.945 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2nncn2C)[C@H](C)C1 ZINC001401300807 1000338653 /nfs/dbraw/zinc/33/86/53/1000338653.db2.gz SJSPGSGLGCKMND-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2nncn2C)[C@H](C)C1 ZINC001401300807 1000338655 /nfs/dbraw/zinc/33/86/55/1000338655.db2.gz SJSPGSGLGCKMND-KGLIPLIRSA-N 1 3 322.457 0.484 20 0 DCADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCC1)C(C)C)N(C)C ZINC001401339413 1000360092 /nfs/dbraw/zinc/36/00/92/1000360092.db2.gz BFRFVLRNYOIOMI-KGLIPLIRSA-N 1 3 312.458 0.289 20 0 DCADHO CN(CCc1ccnn1C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401433907 1000422801 /nfs/dbraw/zinc/42/28/01/1000422801.db2.gz RJEFPOOVORGFBP-UHFFFAOYSA-N 1 3 319.453 0.449 20 0 DCADHO CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001401492538 1000448724 /nfs/dbraw/zinc/44/87/24/1000448724.db2.gz NNSWSFZTBQHSQH-ZIAGYGMSSA-N 1 3 324.469 0.481 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1)C1CCC1 ZINC001401546402 1000483747 /nfs/dbraw/zinc/48/37/47/1000483747.db2.gz HWQSPJOHPUGTOE-GJZGRUSLSA-N 1 3 313.442 0.107 20 0 DCADHO CCC(CC)NC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401650527 1000589292 /nfs/dbraw/zinc/58/92/92/1000589292.db2.gz CCYLBIASQFWJDN-CYBMUJFWSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC2CC2)C1)N(C)C ZINC001418949495 1000639268 /nfs/dbraw/zinc/63/92/68/1000639268.db2.gz CCMCYTBJHZMWBA-QEJZJMRPSA-N 1 3 324.469 0.574 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC1CC1 ZINC001418949376 1000639285 /nfs/dbraw/zinc/63/92/85/1000639285.db2.gz CDBUJUBJMFWCKP-AEGPPILISA-N 1 3 322.453 0.328 20 0 DCADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001401721421 1000657231 /nfs/dbraw/zinc/65/72/31/1000657231.db2.gz STVJNSMKIKVGDE-STQMWFEESA-N 1 3 324.469 0.337 20 0 DCADHO CCN(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001505677903 1016435442 /nfs/dbraw/zinc/43/54/42/1016435442.db2.gz JYUUMRADHZYTIQ-CHWSQXEVSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001402046450 1000972166 /nfs/dbraw/zinc/97/21/66/1000972166.db2.gz ZQYGYWLDBZZLGS-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001402075582 1000995838 /nfs/dbraw/zinc/99/58/38/1000995838.db2.gz JVWYXDKPRQRMPY-ZFWWWQNUSA-N 1 3 322.453 0.330 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001402112180 1001023497 /nfs/dbraw/zinc/02/34/97/1001023497.db2.gz CBIGUDLMJONXGC-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO CNC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001402112180 1001023502 /nfs/dbraw/zinc/02/35/02/1001023502.db2.gz CBIGUDLMJONXGC-ZFWWWQNUSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001419669069 1001210386 /nfs/dbraw/zinc/21/03/86/1001210386.db2.gz UXDKNNVKLISFST-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001419669069 1001210393 /nfs/dbraw/zinc/21/03/93/1001210393.db2.gz UXDKNNVKLISFST-KGLIPLIRSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)C(=O)N(C)C ZINC001402318770 1001213392 /nfs/dbraw/zinc/21/33/92/1001213392.db2.gz TUBDIKWLMJOTGY-GXTWGEPZSA-N 1 3 324.469 0.432 20 0 DCADHO CC(C)OCCN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001402458096 1001327898 /nfs/dbraw/zinc/32/78/98/1001327898.db2.gz GCRZQLQMVBBHBB-MRXNPFEDSA-N 1 3 315.458 0.306 20 0 DCADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)N2CCC2)C1 ZINC001419851632 1001356457 /nfs/dbraw/zinc/35/64/57/1001356457.db2.gz WRIGYRPHFZYDHG-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCC(=O)N2CCC2)C1 ZINC001419851632 1001356464 /nfs/dbraw/zinc/35/64/64/1001356464.db2.gz WRIGYRPHFZYDHG-GJZGRUSLSA-N 1 3 324.469 0.435 20 0 DCADHO CC[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C)C(N)=O ZINC001419880382 1001379530 /nfs/dbraw/zinc/37/95/30/1001379530.db2.gz SDWQWKZFSDAEHU-STQMWFEESA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C)C(N)=O ZINC001419880379 1001380642 /nfs/dbraw/zinc/38/06/42/1001380642.db2.gz SDWQWKZFSDAEHU-QWHCGFSZSA-N 1 3 312.458 0.465 20 0 DCADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1)N(C)C ZINC001402525713 1001384713 /nfs/dbraw/zinc/38/47/13/1001384713.db2.gz ZEKIEUUUIDDHFK-TUVASFSCSA-N 1 3 324.469 0.573 20 0 DCADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001419930271 1001415077 /nfs/dbraw/zinc/41/50/77/1001415077.db2.gz CHMNOTASONSJNU-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cncn1C ZINC001402823773 1001517600 /nfs/dbraw/zinc/51/76/00/1001517600.db2.gz NTNSWHZGKMGWPN-ZDUSSCGKSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N[C@@H]1CCNC1=O ZINC001403088220 1001668363 /nfs/dbraw/zinc/66/83/63/1001668363.db2.gz RRPYCSGFCOFUSG-SWLSCSKDSA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)CCn1cccn1 ZINC001403165701 1001703139 /nfs/dbraw/zinc/70/31/39/1001703139.db2.gz UGMXDAQOKQPHHA-HNNXBMFYSA-N 1 3 319.453 0.948 20 0 DCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCn1cccn1 ZINC001403181649 1001710210 /nfs/dbraw/zinc/71/02/10/1001710210.db2.gz LAZGMCSOUGMQPL-CQSZACIVSA-N 1 3 305.426 0.415 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)CCn2cccn2)C1 ZINC001420002220 1001757010 /nfs/dbraw/zinc/75/70/10/1001757010.db2.gz DXWWCNROACDURD-HNNXBMFYSA-N 1 3 307.442 0.615 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)CCn2cccn2)C1 ZINC001420002220 1001757013 /nfs/dbraw/zinc/75/70/13/1001757013.db2.gz DXWWCNROACDURD-HNNXBMFYSA-N 1 3 307.442 0.615 20 0 DCADHO Cc1nnc(CN[C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)[nH]1 ZINC001403287665 1001783097 /nfs/dbraw/zinc/78/30/97/1001783097.db2.gz RCAFKORRQGATNC-CHWSQXEVSA-N 1 3 308.430 0.582 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001403297113 1001788953 /nfs/dbraw/zinc/78/89/53/1001788953.db2.gz YBCFLYKQKLUTHD-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cnns1 ZINC001420078035 1001813767 /nfs/dbraw/zinc/81/37/67/1001813767.db2.gz HROLSOGTBGIKLR-NQBHXWOUSA-N 1 3 311.455 0.863 20 0 DCADHO C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cnns1 ZINC001420078035 1001813780 /nfs/dbraw/zinc/81/37/80/1001813780.db2.gz HROLSOGTBGIKLR-NQBHXWOUSA-N 1 3 311.455 0.863 20 0 DCADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC(C)CC1)C(N)=O ZINC001424676853 1001908120 /nfs/dbraw/zinc/90/81/20/1001908120.db2.gz VRLQRYKVWHRNAJ-CABCVRRESA-N 1 3 324.469 0.563 20 0 DCADHO CN(CCn1cncn1)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001424709989 1001941795 /nfs/dbraw/zinc/94/17/95/1001941795.db2.gz IQDWAZPELJCVSG-HNNXBMFYSA-N 1 3 322.457 0.543 20 0 DCADHO C[C@H](NCc1ccnn1C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424811900 1002052703 /nfs/dbraw/zinc/05/27/03/1002052703.db2.gz BUPOOQGCFIVVOP-STQMWFEESA-N 1 3 307.442 0.745 20 0 DCADHO CCN(CCN[C@H](C)C(N)=O)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001420239933 1002098573 /nfs/dbraw/zinc/09/85/73/1002098573.db2.gz GVGGHLBHCDDVJW-CYBMUJFWSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](NCC(=O)NCC1CC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001424859405 1002101479 /nfs/dbraw/zinc/10/14/79/1002101479.db2.gz RRQNCAVMPXEQCG-STQMWFEESA-N 1 3 322.453 0.091 20 0 DCADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnn(C)c1 ZINC001403568117 1002150784 /nfs/dbraw/zinc/15/07/84/1002150784.db2.gz BDMBEPAFQWHNCT-ZDUSSCGKSA-N 1 3 307.442 0.841 20 0 DCADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cnn(C)c1 ZINC001403568116 1002151807 /nfs/dbraw/zinc/15/18/07/1002151807.db2.gz BDMBEPAFQWHNCT-CYBMUJFWSA-N 1 3 307.442 0.841 20 0 DCADHO Cc1nc(CN[C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001403602538 1002193458 /nfs/dbraw/zinc/19/34/58/1002193458.db2.gz WXINDFWSVMDZPX-LLVKDONJSA-N 1 3 308.430 0.391 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420331577 1002235607 /nfs/dbraw/zinc/23/56/07/1002235607.db2.gz XSMHJHXLRDTVBO-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC(C)(C)C ZINC001403630540 1002236711 /nfs/dbraw/zinc/23/67/11/1002236711.db2.gz OANFZWPFMUNNFK-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC(C)(C)C ZINC001403630540 1002236717 /nfs/dbraw/zinc/23/67/17/1002236717.db2.gz OANFZWPFMUNNFK-CYBMUJFWSA-N 1 3 314.474 0.679 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN2CCCC2)C1=O ZINC001403633498 1002240999 /nfs/dbraw/zinc/24/09/99/1002240999.db2.gz RSLCRPRAOIHZDW-UONOGXRCSA-N 1 3 310.442 0.140 20 0 DCADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CC2CC(F)(F)C2)CCC1 ZINC001403666750 1002307474 /nfs/dbraw/zinc/30/74/74/1002307474.db2.gz JFQUFMSCPOJLEI-LBPRGKRZSA-N 1 3 319.396 0.583 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001508016489 1016611527 /nfs/dbraw/zinc/61/15/27/1016611527.db2.gz VDXNMFCFVKATBC-LBPRGKRZSA-N 1 3 300.447 0.147 20 0 DCADHO CCCN(C)CC(=O)N[C@H](C[NH2+]CC(=O)NC)C(C)(C)C ZINC001508036714 1016616196 /nfs/dbraw/zinc/61/61/96/1016616196.db2.gz NCVURZZKXQGKLJ-GFCCVEGCSA-N 1 3 300.447 0.195 20 0 DCADHO CC(C)[C@H](CCN(C)C(=O)CN1CCCC1)[NH2+][C@H](C)C(N)=O ZINC001425159658 1002408766 /nfs/dbraw/zinc/40/87/66/1002408766.db2.gz IKWFLMGGRGTVBU-KGLIPLIRSA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001403740492 1002449417 /nfs/dbraw/zinc/44/94/17/1002449417.db2.gz KNWJPKPMSHJBHV-JSGCOSHPSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@@H]1C[C@H](NCC(=O)N2CCCC2)CN1C(=O)CCC[NH+](C)C ZINC001403742187 1002453968 /nfs/dbraw/zinc/45/39/68/1002453968.db2.gz LKILLPHEIBSHQZ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC001403765400 1002491298 /nfs/dbraw/zinc/49/12/98/1002491298.db2.gz BUMCRXNAAYSZAZ-UONOGXRCSA-N 1 3 324.469 0.574 20 0 DCADHO Cn1ccc(CN2CCC[C@H]2CNC(=O)CC[NH+](C)C)cc1=O ZINC001420506298 1002518544 /nfs/dbraw/zinc/51/85/44/1002518544.db2.gz RHZDYTVMWCLSKS-HNNXBMFYSA-N 1 3 320.437 0.418 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCC(=O)N(C)C)C(C)(C)C2)CC[N@@H+]1C ZINC001403816852 1002565147 /nfs/dbraw/zinc/56/51/47/1002565147.db2.gz SNGQBMJXCILXOS-MGPQQGTHSA-N 1 3 324.469 0.241 20 0 DCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCC(=O)N(C)C)C(C)(C)C2)CC[N@H+]1C ZINC001403816852 1002565155 /nfs/dbraw/zinc/56/51/55/1002565155.db2.gz SNGQBMJXCILXOS-MGPQQGTHSA-N 1 3 324.469 0.241 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001420578174 1002644947 /nfs/dbraw/zinc/64/49/47/1002644947.db2.gz CESBXYRUNJTGSF-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001420578174 1002644952 /nfs/dbraw/zinc/64/49/52/1002644952.db2.gz CESBXYRUNJTGSF-LSDHHAIUSA-N 1 3 322.457 0.589 20 0 DCADHO CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001403894686 1002696170 /nfs/dbraw/zinc/69/61/70/1002696170.db2.gz IHBPWTSMCOCVRJ-CJNGLKHVSA-N 1 3 317.449 0.970 20 0 DCADHO CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001403894686 1002696174 /nfs/dbraw/zinc/69/61/74/1002696174.db2.gz IHBPWTSMCOCVRJ-CJNGLKHVSA-N 1 3 317.449 0.970 20 0 DCADHO CN(CC(=O)N(C)[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001425488372 1002728884 /nfs/dbraw/zinc/72/88/84/1002728884.db2.gz NQYAPKFTJMDSFL-LSDHHAIUSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001425488365 1002729114 /nfs/dbraw/zinc/72/91/14/1002729114.db2.gz NQYAPKFTJMDSFL-HUUCEWRRSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001425488359 1002729575 /nfs/dbraw/zinc/72/95/75/1002729575.db2.gz NQYAPKFTJMDSFL-GJZGRUSLSA-N 1 3 322.453 0.186 20 0 DCADHO CN(CCOCC[NH2+]Cc1cccnc1)C(=O)[C@@H]1CCCN1C ZINC001508173685 1016682111 /nfs/dbraw/zinc/68/21/11/1016682111.db2.gz PODIZTZGMMZVJL-INIZCTEOSA-N 1 3 320.437 0.740 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001420746913 1002907655 /nfs/dbraw/zinc/90/76/55/1002907655.db2.gz VGXWWJXYRSGSKV-SOUVJXGZSA-N 1 3 324.469 0.337 20 0 DCADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001420746913 1002907664 /nfs/dbraw/zinc/90/76/64/1002907664.db2.gz VGXWWJXYRSGSKV-SOUVJXGZSA-N 1 3 324.469 0.337 20 0 DCADHO CN(C)C1(C(=O)N[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C2CC2)CCC1 ZINC001420747112 1002908312 /nfs/dbraw/zinc/90/83/12/1002908312.db2.gz ZFHPXCUKOVNOHA-ZIAGYGMSSA-N 1 3 322.453 0.186 20 0 DCADHO C[NH+]1CCC(C(=O)NC[C@H](NCCO)c2ccccc2)CC1 ZINC001420776320 1002936205 /nfs/dbraw/zinc/93/62/05/1002936205.db2.gz MYTFVTIIAOOEHW-INIZCTEOSA-N 1 3 305.422 0.768 20 0 DCADHO Cc1ncc(CNC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cn1 ZINC001420789724 1002951347 /nfs/dbraw/zinc/95/13/47/1002951347.db2.gz QXNWKZZPLXIKFU-JKSUJKDBSA-N 1 3 317.437 0.721 20 0 DCADHO Cc1ncc(CNC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cn1 ZINC001420789724 1002951353 /nfs/dbraw/zinc/95/13/53/1002951353.db2.gz QXNWKZZPLXIKFU-JKSUJKDBSA-N 1 3 317.437 0.721 20 0 DCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001405826592 1003116038 /nfs/dbraw/zinc/11/60/38/1003116038.db2.gz FNDXSMPOLCQTTH-QWHCGFSZSA-N 1 3 314.474 0.678 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCCC(F)(F)F)C1 ZINC001425837286 1003165715 /nfs/dbraw/zinc/16/57/15/1003165715.db2.gz QSFHNSOJZCDLJB-QWRGUYRKSA-N 1 3 311.348 0.347 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)NCCC(F)(F)F)C1 ZINC001425837286 1003165726 /nfs/dbraw/zinc/16/57/26/1003165726.db2.gz QSFHNSOJZCDLJB-QWRGUYRKSA-N 1 3 311.348 0.347 20 0 DCADHO CN(CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)CC(N)=O ZINC001405985931 1003241876 /nfs/dbraw/zinc/24/18/76/1003241876.db2.gz GLETYYVEAOLVRT-UHFFFAOYSA-N 1 3 322.453 0.128 20 0 DCADHO CC(C)[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)[NH2+]CC(N)=O ZINC001406040499 1003292563 /nfs/dbraw/zinc/29/25/63/1003292563.db2.gz HEQDTRCVNYKNBH-ZIAGYGMSSA-N 1 3 312.458 0.465 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cncs2)CC[N@@H+]1C ZINC001406228500 1003502747 /nfs/dbraw/zinc/50/27/47/1003502747.db2.gz YBJSVGJWZBCVNH-NQBHXWOUSA-N 1 3 312.439 0.050 20 0 DCADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cncs2)CC[N@H+]1C ZINC001406228500 1003502758 /nfs/dbraw/zinc/50/27/58/1003502758.db2.gz YBJSVGJWZBCVNH-NQBHXWOUSA-N 1 3 312.439 0.050 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)O)CCC1(F)F ZINC001421323232 1003542431 /nfs/dbraw/zinc/54/24/31/1003542431.db2.gz ZLFGFSOGBDEWIV-CHWSQXEVSA-N 1 3 321.412 0.782 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)O)CCC1(F)F ZINC001421323232 1003542439 /nfs/dbraw/zinc/54/24/39/1003542439.db2.gz ZLFGFSOGBDEWIV-CHWSQXEVSA-N 1 3 321.412 0.782 20 0 DCADHO CC[C@H](F)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001421325941 1003546282 /nfs/dbraw/zinc/54/62/82/1003546282.db2.gz DSQQJNXNJQMREC-KGLIPLIRSA-N 1 3 315.433 0.941 20 0 DCADHO CC[C@H](F)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001421325941 1003546289 /nfs/dbraw/zinc/54/62/89/1003546289.db2.gz DSQQJNXNJQMREC-KGLIPLIRSA-N 1 3 315.433 0.941 20 0 DCADHO O=C(CN1CCCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccn2)C1 ZINC001421391506 1003618501 /nfs/dbraw/zinc/61/85/01/1003618501.db2.gz PXEBXBQCEDZMTC-KRWDZBQOSA-N 1 3 318.421 0.230 20 0 DCADHO O=C(CN1CCCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccn2)C1 ZINC001421391506 1003618503 /nfs/dbraw/zinc/61/85/03/1003618503.db2.gz PXEBXBQCEDZMTC-KRWDZBQOSA-N 1 3 318.421 0.230 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001406407811 1003691278 /nfs/dbraw/zinc/69/12/78/1003691278.db2.gz FFHPQRULWGMADA-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001406407811 1003691282 /nfs/dbraw/zinc/69/12/82/1003691282.db2.gz FFHPQRULWGMADA-HIFRSBDPSA-N 1 3 324.469 0.339 20 0 DCADHO CN(C[C@@H]1CCN1C(=O)CN1CCCC1)C(=O)CCC[NH+](C)C ZINC001406511421 1003776761 /nfs/dbraw/zinc/77/67/61/1003776761.db2.gz YUXCGUWGCDHGQU-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[C@@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001406520345 1003785420 /nfs/dbraw/zinc/78/54/20/1003785420.db2.gz NYUCDTPBWZZZFY-NWDGAFQWSA-N 1 3 310.442 0.090 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001428305285 1003850740 /nfs/dbraw/zinc/85/07/40/1003850740.db2.gz RCZWSLBNBULZQQ-MELADBBJSA-N 1 3 324.469 0.432 20 0 DCADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001428305285 1003850747 /nfs/dbraw/zinc/85/07/47/1003850747.db2.gz RCZWSLBNBULZQQ-MELADBBJSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001426812670 1004056127 /nfs/dbraw/zinc/05/61/27/1004056127.db2.gz IFRIYGUVKMPJET-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001428668008 1004101443 /nfs/dbraw/zinc/10/14/43/1004101443.db2.gz KODZOXMIBPMYBT-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001428668008 1004101448 /nfs/dbraw/zinc/10/14/48/1004101448.db2.gz KODZOXMIBPMYBT-KBPBESRZSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001427068007 1004193764 /nfs/dbraw/zinc/19/37/64/1004193764.db2.gz MJTLDFSMALVCHH-ZIAGYGMSSA-N 1 3 324.469 0.243 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001427419052 1004375028 /nfs/dbraw/zinc/37/50/28/1004375028.db2.gz AACRLWZCWCVKAZ-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001427419052 1004375036 /nfs/dbraw/zinc/37/50/36/1004375036.db2.gz AACRLWZCWCVKAZ-HUUCEWRRSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001407201822 1004465400 /nfs/dbraw/zinc/46/54/00/1004465400.db2.gz WPPYKBHQHUDRIO-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407201822 1004465405 /nfs/dbraw/zinc/46/54/05/1004465405.db2.gz WPPYKBHQHUDRIO-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)CC[NH+](C)C ZINC001427609131 1004487187 /nfs/dbraw/zinc/48/71/87/1004487187.db2.gz YMCGORPIBHGDFG-ZDUSSCGKSA-N 1 3 312.458 0.386 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](C/C=C/Cl)C1 ZINC001407367216 1004596227 /nfs/dbraw/zinc/59/62/27/1004596227.db2.gz CVYIFCREUURLDT-DKIZZRPMSA-N 1 3 315.845 0.776 20 0 DCADHO CN1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C/C=C/Cl)C1 ZINC001407367216 1004596236 /nfs/dbraw/zinc/59/62/36/1004596236.db2.gz CVYIFCREUURLDT-DKIZZRPMSA-N 1 3 315.845 0.776 20 0 DCADHO O=C(CN1CCCC1)NCC1(O)C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001407463979 1004666570 /nfs/dbraw/zinc/66/65/70/1004666570.db2.gz AALKXDFLYYTVIS-OWCLPIDISA-N 1 3 321.465 0.681 20 0 DCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)N(C)C ZINC001407824844 1004883942 /nfs/dbraw/zinc/88/39/42/1004883942.db2.gz ROKGELHUADPHIP-YDHLFZDLSA-N 1 3 312.458 0.288 20 0 DCADHO Cc1ncc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC2)cn1 ZINC001407828719 1004887497 /nfs/dbraw/zinc/88/74/97/1004887497.db2.gz KEVUPLQASGIMOB-OAHLLOKOSA-N 1 3 317.437 0.865 20 0 DCADHO Cc1ncc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC2)cn1 ZINC001407828719 1004887500 /nfs/dbraw/zinc/88/75/00/1004887500.db2.gz KEVUPLQASGIMOB-OAHLLOKOSA-N 1 3 317.437 0.865 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CCn2cccn2)CCC1)N(C)C ZINC001407830145 1004888097 /nfs/dbraw/zinc/88/80/97/1004888097.db2.gz MIMOROREKBTWLT-AWEZNQCLSA-N 1 3 307.442 0.852 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001407870673 1004913102 /nfs/dbraw/zinc/91/31/02/1004913102.db2.gz YFHHDTUBIRQSKR-KGLIPLIRSA-N 1 3 310.442 0.187 20 0 DCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001408200637 1005104114 /nfs/dbraw/zinc/10/41/14/1005104114.db2.gz QPFOOPGOTFRKKQ-IHRRRGAJSA-N 1 3 312.458 0.336 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCO)C2)C1 ZINC001408358162 1005175009 /nfs/dbraw/zinc/17/50/09/1005175009.db2.gz OGBFHKNAAFDDOD-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001408358162 1005175013 /nfs/dbraw/zinc/17/50/13/1005175013.db2.gz OGBFHKNAAFDDOD-JKSUJKDBSA-N 1 3 311.470 0.879 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001408465358 1005212156 /nfs/dbraw/zinc/21/21/56/1005212156.db2.gz NTBHOJIKQQGORX-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@H](CCNC(=O)CN1CCCC1)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001408465358 1005212162 /nfs/dbraw/zinc/21/21/62/1005212162.db2.gz NTBHOJIKQQGORX-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001414776248 1005400636 /nfs/dbraw/zinc/40/06/36/1005400636.db2.gz SCNROBIYDIQNSF-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001414776248 1005400637 /nfs/dbraw/zinc/40/06/37/1005400637.db2.gz SCNROBIYDIQNSF-ZIAGYGMSSA-N 1 3 324.469 0.386 20 0 DCADHO CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001414929182 1005425660 /nfs/dbraw/zinc/42/56/60/1005425660.db2.gz CFQNJYVBSSTRLD-SOUVJXGZSA-N 1 3 324.469 0.384 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001415166868 1005474199 /nfs/dbraw/zinc/47/41/99/1005474199.db2.gz VCTOBSLQVLBGNR-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)C1(N(C)C)CCC1 ZINC001415166868 1005474200 /nfs/dbraw/zinc/47/42/00/1005474200.db2.gz VCTOBSLQVLBGNR-OLZOCXBDSA-N 1 3 310.442 0.043 20 0 DCADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001416000326 1005645514 /nfs/dbraw/zinc/64/55/14/1005645514.db2.gz PGVRMTDSJRWNLI-HNNXBMFYSA-N 1 3 312.458 0.241 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CCCO ZINC001417824185 1005897451 /nfs/dbraw/zinc/89/74/51/1005897451.db2.gz UZOYGIRXAZJOEI-HZMVEIRTSA-N 1 3 323.481 0.879 20 0 DCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CCCO ZINC001417824185 1005897453 /nfs/dbraw/zinc/89/74/53/1005897453.db2.gz UZOYGIRXAZJOEI-HZMVEIRTSA-N 1 3 323.481 0.879 20 0 DCADHO NC(=O)CN[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001418001406 1005951909 /nfs/dbraw/zinc/95/19/09/1005951909.db2.gz HBHLSYZLPOEHKN-HNNXBMFYSA-N 1 3 322.453 0.078 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001438651349 1005991183 /nfs/dbraw/zinc/99/11/83/1005991183.db2.gz JBIKYLQTHXELJZ-FPMFFAJLSA-N 1 3 322.457 0.780 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)CNCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001438651349 1005991192 /nfs/dbraw/zinc/99/11/92/1005991192.db2.gz JBIKYLQTHXELJZ-FPMFFAJLSA-N 1 3 322.457 0.780 20 0 DCADHO C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)CN(C)C1CCC1 ZINC001438655697 1005996441 /nfs/dbraw/zinc/99/64/41/1005996441.db2.gz VUXVETFEEDUTAP-JSGCOSHPSA-N 1 3 310.442 0.186 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCN(CC)C1=O ZINC001438705956 1006051604 /nfs/dbraw/zinc/05/16/04/1006051604.db2.gz MVVKKHHOAPYUFE-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001418114132 1006056676 /nfs/dbraw/zinc/05/66/76/1006056676.db2.gz QEONLEDVQTWXFR-MELADBBJSA-N 1 3 312.458 0.478 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001418118174 1006064314 /nfs/dbraw/zinc/06/43/14/1006064314.db2.gz DUOZYWMSXMNOIP-UONOGXRCSA-N 1 3 303.422 0.487 20 0 DCADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001418118174 1006064324 /nfs/dbraw/zinc/06/43/24/1006064324.db2.gz DUOZYWMSXMNOIP-UONOGXRCSA-N 1 3 303.422 0.487 20 0 DCADHO CCCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN1CCCC1 ZINC001438718295 1006065796 /nfs/dbraw/zinc/06/57/96/1006065796.db2.gz GEMGWIHDPRMAHX-UONOGXRCSA-N 1 3 312.458 0.433 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438730769 1006079238 /nfs/dbraw/zinc/07/92/38/1006079238.db2.gz GIOVBAQCXCLPFR-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO CC(C)C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438730769 1006079247 /nfs/dbraw/zinc/07/92/47/1006079247.db2.gz GIOVBAQCXCLPFR-KGLIPLIRSA-N 1 3 312.458 0.147 20 0 DCADHO COc1cc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)on1 ZINC001438782175 1006114629 /nfs/dbraw/zinc/11/46/29/1006114629.db2.gz YXJDTZXXEZQWBG-OCCSQVGLSA-N 1 3 324.425 0.962 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418165809 1006123300 /nfs/dbraw/zinc/12/33/00/1006123300.db2.gz GOZYXELYGISMQH-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418165809 1006123306 /nfs/dbraw/zinc/12/33/06/1006123306.db2.gz GOZYXELYGISMQH-HZSPNIEDSA-N 1 3 310.442 0.043 20 0 DCADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1)C(N)=O ZINC001436357814 1006141013 /nfs/dbraw/zinc/14/10/13/1006141013.db2.gz FCJORVIKMQOGNY-XJFOESAGSA-N 1 3 312.458 0.321 20 0 DCADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001436359181 1006141556 /nfs/dbraw/zinc/14/15/56/1006141556.db2.gz JWGMDPSVPIJJGP-DVOMOZLQSA-N 1 3 315.433 0.676 20 0 DCADHO CNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001436433678 1006180469 /nfs/dbraw/zinc/18/04/69/1006180469.db2.gz VJVXSKXUOISMCI-RDBSUJKOSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC(=O)NC2CC2)C2CC2)C1 ZINC001436805686 1006379519 /nfs/dbraw/zinc/37/95/19/1006379519.db2.gz IQKHAJVNIPJGOF-SWLSCSKDSA-N 1 3 322.453 0.091 20 0 DCADHO CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001418354458 1006420211 /nfs/dbraw/zinc/42/02/11/1006420211.db2.gz YFLGODNRJIUBNN-LSDHHAIUSA-N 1 3 324.469 0.435 20 0 DCADHO CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C1(N(C)C)CCC1 ZINC001439073824 1006435604 /nfs/dbraw/zinc/43/56/04/1006435604.db2.gz ROIYLPQIXJHITP-CYBMUJFWSA-N 1 3 310.442 0.140 20 0 DCADHO CCN(CCN[C@@H]1CCCNC1=O)C(=O)CCC[NH+]1CCCC1 ZINC001439086476 1006457261 /nfs/dbraw/zinc/45/72/61/1006457261.db2.gz VPQGKKQTXITBKS-OAHLLOKOSA-N 1 3 324.469 0.579 20 0 DCADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C2)C1=O ZINC001436978779 1006495360 /nfs/dbraw/zinc/49/53/60/1006495360.db2.gz PTCKDDHREYBXIE-HZSPNIEDSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@H](CNCc1cncn1C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001439133712 1006499884 /nfs/dbraw/zinc/49/98/84/1006499884.db2.gz SSCVXKJRRHVZGS-CQSZACIVSA-N 1 3 319.453 0.890 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001452010293 1006552779 /nfs/dbraw/zinc/55/27/79/1006552779.db2.gz FNHBUAJEKFBOMA-CQSZACIVSA-N 1 3 323.441 0.469 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001437076161 1006573860 /nfs/dbraw/zinc/57/38/60/1006573860.db2.gz WPQUDEOLMNQJGQ-PDWCTOEPSA-N 1 3 301.406 0.094 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001437076161 1006573867 /nfs/dbraw/zinc/57/38/67/1006573867.db2.gz WPQUDEOLMNQJGQ-PDWCTOEPSA-N 1 3 301.406 0.094 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC1CCC1 ZINC001437129395 1006624886 /nfs/dbraw/zinc/62/48/86/1006624886.db2.gz JLSVVHIYKJTYCO-UMVBOHGHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC1CCC1 ZINC001437129395 1006624888 /nfs/dbraw/zinc/62/48/88/1006624888.db2.gz JLSVVHIYKJTYCO-UMVBOHGHSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439257556 1006629443 /nfs/dbraw/zinc/62/94/43/1006629443.db2.gz MBIXXOMARYDNEV-ZDUSSCGKSA-N 1 3 310.442 0.045 20 0 DCADHO CCn1cc(CC[NH2+][C@H](C)CNC(=O)CN2CC[C@@H](C)C2)cn1 ZINC001437215978 1006717304 /nfs/dbraw/zinc/71/73/04/1006717304.db2.gz ZLHNKBVWIGFUCS-HUUCEWRRSA-N 1 3 321.469 0.882 20 0 DCADHO CCN(CC)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437314674 1006833281 /nfs/dbraw/zinc/83/32/81/1006833281.db2.gz UFLFCKGLPVCDAJ-ZDUSSCGKSA-N 1 3 321.425 0.259 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC001452826394 1007097565 /nfs/dbraw/zinc/09/75/65/1007097565.db2.gz VZPIJJAWKLXDLZ-DGAVXFQQSA-N 1 3 312.458 0.288 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC001452826394 1007097580 /nfs/dbraw/zinc/09/75/80/1007097580.db2.gz VZPIJJAWKLXDLZ-DGAVXFQQSA-N 1 3 312.458 0.288 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001437738741 1007337228 /nfs/dbraw/zinc/33/72/28/1007337228.db2.gz KIVWPRWAAUOYBO-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001437738741 1007337243 /nfs/dbraw/zinc/33/72/43/1007337243.db2.gz KIVWPRWAAUOYBO-HNNXBMFYSA-N 1 3 307.442 0.663 20 0 DCADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN(C)C1CCC1 ZINC001453267902 1007362799 /nfs/dbraw/zinc/36/27/99/1007362799.db2.gz HOXFVFNUVMZBGI-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1C(=O)CN(C)C1CCC1 ZINC001453267902 1007362805 /nfs/dbraw/zinc/36/28/05/1007362805.db2.gz HOXFVFNUVMZBGI-HNNXBMFYSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CCNC2=O)CC1 ZINC001437859832 1007469911 /nfs/dbraw/zinc/46/99/11/1007469911.db2.gz XPQUZBYWJCZAQF-HIFRSBDPSA-N 1 3 324.469 0.432 20 0 DCADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440112747 1007497339 /nfs/dbraw/zinc/49/73/39/1007497339.db2.gz KGUADJLEGASPHJ-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001440350268 1007686427 /nfs/dbraw/zinc/68/64/27/1007686427.db2.gz DEKGYPJZNFRHHJ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO CCN(C)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001440350268 1007686433 /nfs/dbraw/zinc/68/64/33/1007686433.db2.gz DEKGYPJZNFRHHJ-CYBMUJFWSA-N 1 3 310.442 0.045 20 0 DCADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCCO)C[C@H]1c1ccccc1 ZINC001440375286 1007707431 /nfs/dbraw/zinc/70/74/31/1007707431.db2.gz RXFFCPITNBNGIO-DLBZAZTESA-N 1 3 319.449 0.905 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC001440394405 1007722186 /nfs/dbraw/zinc/72/21/86/1007722186.db2.gz FDBMMTBQFCGXKR-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC001440394405 1007722192 /nfs/dbraw/zinc/72/21/92/1007722192.db2.gz FDBMMTBQFCGXKR-OAHLLOKOSA-N 1 3 322.457 0.591 20 0 DCADHO CCN1CC[C@H](N2CCC[C@@H](NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001440401687 1007728428 /nfs/dbraw/zinc/72/84/28/1007728428.db2.gz YNVYREWWXLABOZ-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1)C(N)=O ZINC001440400950 1007728742 /nfs/dbraw/zinc/72/87/42/1007728742.db2.gz HLCCNABCFFNWQY-RWMBFGLXSA-N 1 3 310.442 0.219 20 0 DCADHO CNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C1CCC1 ZINC001440418531 1007746382 /nfs/dbraw/zinc/74/63/82/1007746382.db2.gz XCWOAPSUUPBCBV-HIFRSBDPSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCn1cccn1 ZINC001440500944 1007838923 /nfs/dbraw/zinc/83/89/23/1007838923.db2.gz ZQRWAAZXFJNYEG-CABCVRRESA-N 1 3 307.442 0.804 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001440716676 1007967536 /nfs/dbraw/zinc/96/75/36/1007967536.db2.gz UKIDRIPDDAPKRW-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001440716676 1007967542 /nfs/dbraw/zinc/96/75/42/1007967542.db2.gz UKIDRIPDDAPKRW-GJZGRUSLSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCc1ncc(Cl)n1C)CNC(=O)CC[NH+](C)C ZINC001438523285 1007970877 /nfs/dbraw/zinc/97/08/77/1007970877.db2.gz UBUNAUZSNBLJNH-LLVKDONJSA-N 1 3 315.849 0.867 20 0 DCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCNC(=O)C1CC1 ZINC001440998656 1008167588 /nfs/dbraw/zinc/16/75/88/1008167588.db2.gz JHUGIEGLQJBRCG-ZDUSSCGKSA-N 1 3 322.453 0.045 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)C(C)C ZINC001440999017 1008168840 /nfs/dbraw/zinc/16/88/40/1008168840.db2.gz UOJJOWTUCSBFLZ-UONOGXRCSA-N 1 3 312.458 0.432 20 0 DCADHO CNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001441380296 1008339936 /nfs/dbraw/zinc/33/99/36/1008339936.db2.gz CVZQAKLRVBSKFI-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CNC(=O)[C@@H](C)[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001441380296 1008339937 /nfs/dbraw/zinc/33/99/37/1008339937.db2.gz CVZQAKLRVBSKFI-CYBMUJFWSA-N 1 3 324.469 0.528 20 0 DCADHO CCCC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)C(N)=O ZINC001441410616 1008348146 /nfs/dbraw/zinc/34/81/46/1008348146.db2.gz DWUXJDJABCWWOZ-TUVASFSCSA-N 1 3 324.469 0.609 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001441439853 1008355288 /nfs/dbraw/zinc/35/52/88/1008355288.db2.gz MSOYPZGUUVNLJE-JOCQHMNTSA-N 1 3 308.430 0.375 20 0 DCADHO CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001441538558 1008396585 /nfs/dbraw/zinc/39/65/85/1008396585.db2.gz FWRKZAGPWBLDDE-GASCZTMLSA-N 1 3 318.421 0.345 20 0 DCADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001441674649 1008453054 /nfs/dbraw/zinc/45/30/54/1008453054.db2.gz ICVLPOHJAGDSRF-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001441674649 1008453057 /nfs/dbraw/zinc/45/30/57/1008453057.db2.gz ICVLPOHJAGDSRF-DZGCQCFKSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001453629940 1008626271 /nfs/dbraw/zinc/62/62/71/1008626271.db2.gz UQBMFWAGJQHLPE-AWEZNQCLSA-N 1 3 322.453 0.092 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001453666000 1008650013 /nfs/dbraw/zinc/65/00/13/1008650013.db2.gz PFANWKMHRBOHLT-AWEZNQCLSA-N 1 3 312.458 0.338 20 0 DCADHO CNC(=O)CNCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001421511458 1008677441 /nfs/dbraw/zinc/67/74/41/1008677441.db2.gz KFNSEEFLVSNRFY-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CNC(=O)CNCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001421511458 1008677451 /nfs/dbraw/zinc/67/74/51/1008677451.db2.gz KFNSEEFLVSNRFY-KBPBESRZSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001421555121 1008721437 /nfs/dbraw/zinc/72/14/37/1008721437.db2.gz XMBCKWRQEIVUAJ-ZIAGYGMSSA-N 1 3 312.458 0.241 20 0 DCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001421649881 1008869282 /nfs/dbraw/zinc/86/92/82/1008869282.db2.gz CBRCNHURYCLZCG-CQSZACIVSA-N 1 3 310.442 0.140 20 0 DCADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001421669119 1008899586 /nfs/dbraw/zinc/89/95/86/1008899586.db2.gz QMLVWYYYZQFSLM-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001454289236 1009041109 /nfs/dbraw/zinc/04/11/09/1009041109.db2.gz DAYALKPSYVOWAU-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001454289236 1009041129 /nfs/dbraw/zinc/04/11/29/1009041129.db2.gz DAYALKPSYVOWAU-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC(C)N(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C ZINC001421870884 1009188714 /nfs/dbraw/zinc/18/87/14/1009188714.db2.gz KCRSJNWVRWPEME-KBPBESRZSA-N 1 3 312.458 0.384 20 0 DCADHO CCCN(C)CC(=O)N1CCC(CC)([NH2+]CC(=O)NC)CC1 ZINC001421951710 1009304147 /nfs/dbraw/zinc/30/41/47/1009304147.db2.gz LKIOTJKQPZLYAX-UHFFFAOYSA-N 1 3 312.458 0.435 20 0 DCADHO CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1)C(N)=O ZINC001421966034 1009331856 /nfs/dbraw/zinc/33/18/56/1009331856.db2.gz YPBNVCHGXFLYQA-KBPBESRZSA-N 1 3 312.458 0.419 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001422042372 1009428763 /nfs/dbraw/zinc/42/87/63/1009428763.db2.gz DLWBBRQDSBKSKU-HIFRSBDPSA-N 1 3 324.469 0.289 20 0 DCADHO C[C@H]([NH2+]CCO)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001422045848 1009431918 /nfs/dbraw/zinc/43/19/18/1009431918.db2.gz FQAVWFZDDXUYFJ-HOTGVXAUSA-N 1 3 311.470 0.927 20 0 DCADHO CCN(C)C(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001422047402 1009435578 /nfs/dbraw/zinc/43/55/78/1009435578.db2.gz YFVRNXKCCDCKAF-AWEZNQCLSA-N 1 3 324.469 0.530 20 0 DCADHO CC[N@H+](CCO)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001422212465 1009654268 /nfs/dbraw/zinc/65/42/68/1009654268.db2.gz VNFWYLKJTSANKU-HNNXBMFYSA-N 1 3 311.470 0.881 20 0 DCADHO CC[N@@H+](CCO)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001422212465 1009654276 /nfs/dbraw/zinc/65/42/76/1009654276.db2.gz VNFWYLKJTSANKU-HNNXBMFYSA-N 1 3 311.470 0.881 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001442747996 1009693607 /nfs/dbraw/zinc/69/36/07/1009693607.db2.gz KMGVOLHHJYNGCO-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)CN(C)C1CCC1 ZINC001442747996 1009693611 /nfs/dbraw/zinc/69/36/11/1009693611.db2.gz KMGVOLHHJYNGCO-KBPBESRZSA-N 1 3 324.469 0.386 20 0 DCADHO CCCN(CCNC(=O)C12CC[NH+](CC1)C2)CCn1cncn1 ZINC001442954897 1009975717 /nfs/dbraw/zinc/97/57/17/1009975717.db2.gz XTIYTLJCHRZKIQ-UHFFFAOYSA-N 1 3 320.441 0.202 20 0 DCADHO CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CCCCN1CC)C(N)=O ZINC001422451969 1010107559 /nfs/dbraw/zinc/10/75/59/1010107559.db2.gz QANDNTFOHJZKCS-UONOGXRCSA-N 1 3 312.458 0.563 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001443228552 1010242937 /nfs/dbraw/zinc/24/29/37/1010242937.db2.gz KGWUASMOKWBGOW-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCN(CC)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001443228552 1010242946 /nfs/dbraw/zinc/24/29/46/1010242946.db2.gz KGWUASMOKWBGOW-KBPBESRZSA-N 1 3 324.469 0.243 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CCN(CC)CC1 ZINC001443281470 1010292165 /nfs/dbraw/zinc/29/21/65/1010292165.db2.gz MMQPGYMGUKTXIT-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CCN(CC)CC1 ZINC001443281470 1010292174 /nfs/dbraw/zinc/29/21/74/1010292174.db2.gz MMQPGYMGUKTXIT-INIZCTEOSA-N 1 3 310.486 0.957 20 0 DCADHO C[C@H](NCc1ccccn1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001422854330 1010675173 /nfs/dbraw/zinc/67/51/73/1010675173.db2.gz KZAMKOFSUGUIAT-GOEBONIOSA-N 1 3 320.437 0.739 20 0 DCADHO CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001443919968 1010749067 /nfs/dbraw/zinc/74/90/67/1010749067.db2.gz SCFJXXDVNAFFSZ-LSDHHAIUSA-N 1 3 324.469 0.339 20 0 DCADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccnn1C ZINC001443937680 1010762113 /nfs/dbraw/zinc/76/21/13/1010762113.db2.gz SPXYUXZIWFELDY-CYBMUJFWSA-N 1 3 307.442 0.889 20 0 DCADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OCC(N)=O)cc3)[C@@H]2C1 ZINC001422974654 1010779208 /nfs/dbraw/zinc/77/92/08/1010779208.db2.gz SQSBXAMIPKEBKY-IMJJTQAJSA-N 1 3 303.406 0.981 20 0 DCADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NC1CC1 ZINC001444000204 1010796931 /nfs/dbraw/zinc/79/69/31/1010796931.db2.gz FOPVMLCFRWZILE-CQSZACIVSA-N 1 3 324.469 0.481 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1n[nH]c(C(C)C)n1 ZINC001444032403 1010811725 /nfs/dbraw/zinc/81/17/25/1010811725.db2.gz FXVSWRFSAYPWSE-CHWSQXEVSA-N 1 3 322.457 0.864 20 0 DCADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1n[nH]c(C(C)C)n1 ZINC001444032403 1010811729 /nfs/dbraw/zinc/81/17/29/1010811729.db2.gz FXVSWRFSAYPWSE-CHWSQXEVSA-N 1 3 322.457 0.864 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@@]1(CNCC(N)=O)CCCC[C@H]1C ZINC001444153562 1010884537 /nfs/dbraw/zinc/88/45/37/1010884537.db2.gz MLRWBVJDLYACMA-CZUORRHYSA-N 1 3 312.458 0.468 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CNCC(N)=O)CCCC[C@H]1C ZINC001444153562 1010884541 /nfs/dbraw/zinc/88/45/41/1010884541.db2.gz MLRWBVJDLYACMA-CZUORRHYSA-N 1 3 312.458 0.468 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001423108057 1010892665 /nfs/dbraw/zinc/89/26/65/1010892665.db2.gz RAWLEVVDZFXDHX-ZIAGYGMSSA-N 1 3 314.474 0.630 20 0 DCADHO CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001423108054 1010894398 /nfs/dbraw/zinc/89/43/98/1010894398.db2.gz RAWLEVVDZFXDHX-UONOGXRCSA-N 1 3 314.474 0.630 20 0 DCADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CCc2ccccc2)CCC1 ZINC001423234005 1011003584 /nfs/dbraw/zinc/00/35/84/1011003584.db2.gz LTYQSQWAQWSSPZ-MRXNPFEDSA-N 1 3 319.449 0.780 20 0 DCADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC2CC2)CCCC1)N(C)C ZINC001444539837 1011054259 /nfs/dbraw/zinc/05/42/59/1011054259.db2.gz VFAFYCJQUKBQSO-AWEZNQCLSA-N 1 3 324.469 0.624 20 0 DCADHO CNC(=O)CN[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001423407949 1011129239 /nfs/dbraw/zinc/12/92/39/1011129239.db2.gz ZBENGPLSQGUAKK-GXTWGEPZSA-N 1 3 312.458 0.145 20 0 DCADHO C[NH+](C)CCCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001423526121 1011214409 /nfs/dbraw/zinc/21/44/09/1011214409.db2.gz CKHWOZDSEUJLMZ-GJZGRUSLSA-N 1 3 324.469 0.481 20 0 DCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C1CCCC1 ZINC001423539721 1011231343 /nfs/dbraw/zinc/23/13/43/1011231343.db2.gz ZEXDDLXNUYQSHM-OCCSQVGLSA-N 1 3 312.458 0.465 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001423616601 1011348438 /nfs/dbraw/zinc/34/84/38/1011348438.db2.gz QPTYQOGODVASBB-OLZOCXBDSA-N 1 3 312.458 0.147 20 0 DCADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001423616601 1011348449 /nfs/dbraw/zinc/34/84/49/1011348449.db2.gz QPTYQOGODVASBB-OLZOCXBDSA-N 1 3 312.458 0.147 20 0 DCADHO CN(C(=O)Cc1c[nH]cn1)C1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001445069257 1011376812 /nfs/dbraw/zinc/37/68/12/1011376812.db2.gz SHAFHNSNDQOMRN-UHFFFAOYSA-N 1 3 321.425 0.400 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001423639733 1011377938 /nfs/dbraw/zinc/37/79/38/1011377938.db2.gz VBFJABKBUOYSHW-YOEHRIQHSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1nccc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001423639293 1011378676 /nfs/dbraw/zinc/37/86/76/1011378676.db2.gz TUMAILQMOSAHII-WBVHZDCISA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001423657395 1011397205 /nfs/dbraw/zinc/39/72/05/1011397205.db2.gz SVMPJHUMSLDUTJ-RHSMWYFYSA-N 1 3 324.469 0.433 20 0 DCADHO CC[C@H](C(=O)N(CC)CCNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC001431621514 1011474955 /nfs/dbraw/zinc/47/49/55/1011474955.db2.gz GWNWGYHYKNSKPL-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC[C@H](C(=O)N(CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC001431621514 1011474965 /nfs/dbraw/zinc/47/49/65/1011474965.db2.gz GWNWGYHYKNSKPL-UONOGXRCSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC001534141460 1011551730 /nfs/dbraw/zinc/55/17/30/1011551730.db2.gz VXNGSEMAVULART-BFHYXJOUSA-N 1 3 312.458 0.145 20 0 DCADHO CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC001534141460 1011551744 /nfs/dbraw/zinc/55/17/44/1011551744.db2.gz VXNGSEMAVULART-BFHYXJOUSA-N 1 3 312.458 0.145 20 0 DCADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001445249031 1011576299 /nfs/dbraw/zinc/57/62/99/1011576299.db2.gz RGHIRSYDJJERBF-CVEARBPZSA-N 1 3 307.438 0.902 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001445358359 1011692129 /nfs/dbraw/zinc/69/21/29/1011692129.db2.gz AHHOIULAVWQWQB-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001445358359 1011692132 /nfs/dbraw/zinc/69/21/32/1011692132.db2.gz AHHOIULAVWQWQB-UKRRQHHQSA-N 1 3 307.442 0.887 20 0 DCADHO Cc1nc(CNC[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)n[nH]1 ZINC001445394928 1011723460 /nfs/dbraw/zinc/72/34/60/1011723460.db2.gz OCMJLLNCUDEYTK-GFCCVEGCSA-N 1 3 320.441 0.583 20 0 DCADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001423923359 1011738816 /nfs/dbraw/zinc/73/88/16/1011738816.db2.gz JCUYHFUAXVVCMA-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)c2cnc([C@H]3CCCN3)nc2)C1 ZINC001553343534 1011905150 /nfs/dbraw/zinc/90/51/50/1011905150.db2.gz LBOCTBYIFFPONX-TZMCWYRMSA-N 1 3 303.410 0.973 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@H](C)OC)C1 ZINC001424051367 1011917759 /nfs/dbraw/zinc/91/77/59/1011917759.db2.gz ZAZKXQUMYPAAHT-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@H](C)OC)C1 ZINC001424051367 1011917768 /nfs/dbraw/zinc/91/77/68/1011917768.db2.gz ZAZKXQUMYPAAHT-GOEBONIOSA-N 1 3 315.458 0.306 20 0 DCADHO CCN1CCC[C@@H](NC(=O)N2C[C@H]([NH3+])C3(C2)CCOCC3)C1 ZINC001553439442 1011974262 /nfs/dbraw/zinc/97/42/62/1011974262.db2.gz SWLHMHBNRVMNJP-KGLIPLIRSA-N 1 3 310.442 0.620 20 0 DCADHO COCCN1CCC(NC(=O)N2CC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC001553437190 1011976108 /nfs/dbraw/zinc/97/61/08/1011976108.db2.gz CXEXKGDVBXPGIQ-ZBFHGGJFSA-N 1 3 324.469 0.881 20 0 DCADHO CN1CCN(CCNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)CC1(C)C ZINC001553483536 1012017392 /nfs/dbraw/zinc/01/73/92/1012017392.db2.gz XKHWHKVJKLKGAY-XJKSGUPXSA-N 1 3 309.458 0.145 20 0 DCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553514192 1012059892 /nfs/dbraw/zinc/05/98/92/1012059892.db2.gz IJQMBTHHMNPUER-CBBWQLFWSA-N 1 3 310.442 0.225 20 0 DCADHO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)N(C)C)C(N)=O ZINC001424136081 1012063344 /nfs/dbraw/zinc/06/33/44/1012063344.db2.gz CDKNPORTCFBJAK-MGPQQGTHSA-N 1 3 312.458 0.561 20 0 DCADHO C[C@@H](NC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001424138790 1012072056 /nfs/dbraw/zinc/07/20/56/1012072056.db2.gz QESPAZXHMHDHHN-TZMCWYRMSA-N 1 3 310.442 0.173 20 0 DCADHO [NH3+]C1CC2(C1)CC(NC(=O)N1CC[C@@H]3[C@@H]1CCCN3CCO)C2 ZINC001553550407 1012097960 /nfs/dbraw/zinc/09/79/60/1012097960.db2.gz BVBOSAURRPPINI-XDWDKAQSSA-N 1 3 322.453 0.497 20 0 DCADHO CC[N@H+](C)CCC(=O)NCC1(NCc2n[nH]c(C)n2)CCC1 ZINC001424201367 1012161945 /nfs/dbraw/zinc/16/19/45/1012161945.db2.gz HNJRONVKQQQDLY-UHFFFAOYSA-N 1 3 308.430 0.583 20 0 DCADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2n[nH]c(C)n2)CCC1 ZINC001424201367 1012161957 /nfs/dbraw/zinc/16/19/57/1012161957.db2.gz HNJRONVKQQQDLY-UHFFFAOYSA-N 1 3 308.430 0.583 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001424218892 1012185390 /nfs/dbraw/zinc/18/53/90/1012185390.db2.gz VPXHTNJSDQRWPX-OLZOCXBDSA-N 1 3 310.442 0.221 20 0 DCADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H]2CCN2C(=O)CC[NH+](C)C)C1 ZINC001445833368 1012322063 /nfs/dbraw/zinc/32/20/63/1012322063.db2.gz KJFUSBQFHPKJPM-CABCVRRESA-N 1 3 324.469 0.339 20 0 DCADHO CC1CC(C[NH2+][C@]2(CO)CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001424401610 1012471807 /nfs/dbraw/zinc/47/18/07/1012471807.db2.gz CVKFLBSBDYBAFA-MQBCKMQZSA-N 1 3 320.437 0.941 20 0 DCADHO CC[C@@H](NC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1)C(N)=O ZINC001446301495 1012737729 /nfs/dbraw/zinc/73/77/29/1012737729.db2.gz UCZIODCBDPTRPB-ZIAGYGMSSA-N 1 3 324.469 0.609 20 0 DCADHO C[C@H](C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)[C@@H](N)c1ccccc1 ZINC001548578259 1012753475 /nfs/dbraw/zinc/75/34/75/1012753475.db2.gz UJKZHLFFKOTMMI-SGIREYDYSA-N 1 3 302.378 0.318 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001446510901 1012827101 /nfs/dbraw/zinc/82/71/01/1012827101.db2.gz UECKFNOJOKZRLK-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO CCCN(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001446510901 1012827117 /nfs/dbraw/zinc/82/71/17/1012827117.db2.gz UECKFNOJOKZRLK-QLFBSQMISA-N 1 3 322.453 0.282 20 0 DCADHO CCCN(C)CC(=O)N(C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001508971678 1017125897 /nfs/dbraw/zinc/12/58/97/1017125897.db2.gz CNYLBHMHOKEHPB-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(CC(=O)NC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001479299368 1017487056 /nfs/dbraw/zinc/48/70/56/1017487056.db2.gz JSVIHPDGVRJWIW-VNHYZAJKSA-N 1 3 322.453 0.186 20 0 DCADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001479346723 1017507493 /nfs/dbraw/zinc/50/74/93/1017507493.db2.gz HPLKWVPCZFAVSN-QLFBSQMISA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H](N[C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1)c1cnccn1 ZINC001479393931 1017536974 /nfs/dbraw/zinc/53/69/74/1017536974.db2.gz OWRZVNJUTUXKFV-IHRRRGAJSA-N 1 3 305.426 0.974 20 0 DCADHO CN(CCCCCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001479626739 1017607836 /nfs/dbraw/zinc/60/78/36/1017607836.db2.gz KMWJATCGCAHZHW-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001499351746 1017879160 /nfs/dbraw/zinc/87/91/60/1017879160.db2.gz FVKZHOSYGNZBAZ-INIZCTEOSA-N 1 3 315.433 0.820 20 0 DCADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001497187575 1017952573 /nfs/dbraw/zinc/95/25/73/1017952573.db2.gz CZLGDWLBLKSETN-QWHCGFSZSA-N 1 3 312.458 0.609 20 0 DCADHO C[C@@H](CC[NH2+]CCc1cnn(C)c1)NC(=O)C1(N(C)C)CCC1 ZINC001497207035 1017968848 /nfs/dbraw/zinc/96/88/48/1017968848.db2.gz XFYYUEKWUTWWKW-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497383181 1018098727 /nfs/dbraw/zinc/09/87/27/1018098727.db2.gz GQUFZULAFAKQIQ-GJZGRUSLSA-N 1 3 322.453 0.045 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497384180 1018099589 /nfs/dbraw/zinc/09/95/89/1018099589.db2.gz UMZSKVVSKIOFHL-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497384180 1018099599 /nfs/dbraw/zinc/09/95/99/1018099599.db2.gz UMZSKVVSKIOFHL-RBSFLKMASA-N 1 3 324.469 0.386 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)C1(C[NH+](C)C)CC1 ZINC001497441304 1018138574 /nfs/dbraw/zinc/13/85/74/1018138574.db2.gz AMDKGRMNPQJIDS-UHFFFAOYSA-N 1 3 308.430 0.393 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCN(C)C1=O ZINC001497601024 1018267325 /nfs/dbraw/zinc/26/73/25/1018267325.db2.gz RJMQXACPTMRQBI-SSBHQGKESA-N 1 3 322.453 0.354 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@H]1CCN(C)C1=O ZINC001497601024 1018267329 /nfs/dbraw/zinc/26/73/29/1018267329.db2.gz RJMQXACPTMRQBI-SSBHQGKESA-N 1 3 322.453 0.354 20 0 DCADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NCC1CC1 ZINC001495050483 1018268205 /nfs/dbraw/zinc/26/82/05/1018268205.db2.gz OXVSOXAFMKGOHO-OAHLLOKOSA-N 1 3 324.469 0.339 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C\CNCc2ccc(CO)cc2)C1 ZINC001497751115 1018387686 /nfs/dbraw/zinc/38/76/86/1018387686.db2.gz XMNPYTLKZSGGQR-BAHPRDJBSA-N 1 3 317.433 0.893 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C\CNCc2ccc(CO)cc2)C1 ZINC001497751115 1018387699 /nfs/dbraw/zinc/38/76/99/1018387699.db2.gz XMNPYTLKZSGGQR-BAHPRDJBSA-N 1 3 317.433 0.893 20 0 DCADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480346596 1018454271 /nfs/dbraw/zinc/45/42/71/1018454271.db2.gz UYTIHKFZUWPUTC-HUUCEWRRSA-N 1 3 322.453 0.045 20 0 DCADHO C[NH+](C)CCCC(=O)N1CCCC[C@H]1CNCC(=O)N1CCC1 ZINC001480358114 1018462536 /nfs/dbraw/zinc/46/25/36/1018462536.db2.gz MXOBYANRLRNRJQ-HNNXBMFYSA-N 1 3 324.469 0.531 20 0 DCADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001497927260 1018519932 /nfs/dbraw/zinc/51/99/32/1018519932.db2.gz SUHKSQMJVWGSEM-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001497927260 1018519943 /nfs/dbraw/zinc/51/99/43/1018519943.db2.gz SUHKSQMJVWGSEM-CABCVRRESA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNCc1cccc(C(N)=O)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983555 1018560880 /nfs/dbraw/zinc/56/08/80/1018560880.db2.gz GODDJULUFCGYKF-IUODEOHRSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@H](CNCc1cccc(C(N)=O)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497983555 1018560888 /nfs/dbraw/zinc/56/08/88/1018560888.db2.gz GODDJULUFCGYKF-IUODEOHRSA-N 1 3 318.421 0.332 20 0 DCADHO C[C@@H](C(N)=O)N1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001495536070 1018564206 /nfs/dbraw/zinc/56/42/06/1018564206.db2.gz OQRMNWCUKZRZBH-ZDUSSCGKSA-N 1 3 322.453 0.174 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498055142 1018616165 /nfs/dbraw/zinc/61/61/65/1018616165.db2.gz KODNZYYMJBNVFV-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](CNCc1cncn1C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001498055142 1018616170 /nfs/dbraw/zinc/61/61/70/1018616170.db2.gz KODNZYYMJBNVFV-UONOGXRCSA-N 1 3 307.442 0.889 20 0 DCADHO C[C@@H](C[NH2+]CCc1cnn(C)c1)NC(=O)C(C)(C)N1CCCC1 ZINC001498087668 1018642038 /nfs/dbraw/zinc/64/20/38/1018642038.db2.gz SQTMYDVONVQDDP-AWEZNQCLSA-N 1 3 321.469 0.931 20 0 DCADHO Cc1cc(CN[C@H](C)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)on1 ZINC001480591581 1018689070 /nfs/dbraw/zinc/68/90/70/1018689070.db2.gz KOVLWWFDAZCWPS-GXTWGEPZSA-N 1 3 324.425 0.546 20 0 DCADHO Cc1cc(CN[C@H](C)CNC(=O)[C@H](C)C[NH+]2CCOCC2)on1 ZINC001480591584 1018689141 /nfs/dbraw/zinc/68/91/41/1018689141.db2.gz KOVLWWFDAZCWPS-TZMCWYRMSA-N 1 3 324.425 0.546 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC001480679149 1018767341 /nfs/dbraw/zinc/76/73/41/1018767341.db2.gz HDBWCXGKHFHCDZ-HZPDHXFCSA-N 1 3 309.454 0.947 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001498234952 1018793229 /nfs/dbraw/zinc/79/32/29/1018793229.db2.gz RNMTUZMSPLKDEE-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)N(C)CC(=O)NC1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001498234952 1018793244 /nfs/dbraw/zinc/79/32/44/1018793244.db2.gz RNMTUZMSPLKDEE-OAHLLOKOSA-N 1 3 324.469 0.528 20 0 DCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCN(C)C1=O ZINC001480770225 1018888958 /nfs/dbraw/zinc/88/89/58/1018888958.db2.gz PTRXAAHJLBTHDF-OLZOCXBDSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496081794 1019045707 /nfs/dbraw/zinc/04/57/07/1019045707.db2.gz WVXOJPGYBDNSAL-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001496081794 1019045728 /nfs/dbraw/zinc/04/57/28/1019045728.db2.gz WVXOJPGYBDNSAL-KBPBESRZSA-N 1 3 312.458 0.386 20 0 DCADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001496098179 1019064996 /nfs/dbraw/zinc/06/49/96/1019064996.db2.gz UHFVKOZYXFZYHU-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO Cc1nnc(CNC[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)[nH]1 ZINC001498492334 1019165597 /nfs/dbraw/zinc/16/55/97/1019165597.db2.gz UDZIQTHSCWMYJR-ZIAGYGMSSA-N 1 3 322.457 0.829 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001496308189 1019234425 /nfs/dbraw/zinc/23/44/25/1019234425.db2.gz LTVJLATXLIVDRC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496308189 1019234433 /nfs/dbraw/zinc/23/44/33/1019234433.db2.gz LTVJLATXLIVDRC-HUUCEWRRSA-N 1 3 324.469 0.387 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001496475473 1019341335 /nfs/dbraw/zinc/34/13/35/1019341335.db2.gz QGGGPGBMBDYOSV-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC[C@@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)C(N)=O ZINC001498771163 1019413264 /nfs/dbraw/zinc/41/32/64/1019413264.db2.gz UGVRGHMIZFHMPG-CHWSQXEVSA-N 1 3 310.442 0.219 20 0 DCADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001498786679 1019426438 /nfs/dbraw/zinc/42/64/38/1019426438.db2.gz RVIBFAKOFADLAR-TZMCWYRMSA-N 1 3 322.453 0.234 20 0 DCADHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1ccnn1C ZINC001496602902 1019445455 /nfs/dbraw/zinc/44/54/55/1019445455.db2.gz LDHBJLQBSIBNAD-HOCLYGCPSA-N 1 3 321.469 0.992 20 0 DCADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)N(C)C ZINC001496638743 1019473993 /nfs/dbraw/zinc/47/39/93/1019473993.db2.gz GRBROXGWLLVXTI-CYBMUJFWSA-N 1 3 300.447 0.145 20 0 DCADHO O=C(CC[NH+]1CCCCC1)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001498874389 1019493395 /nfs/dbraw/zinc/49/33/95/1019493395.db2.gz KSXTXPFZKAWWMP-GJZGRUSLSA-N 1 3 322.453 0.235 20 0 DCADHO CC(C)NC(=O)CNCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001493721185 1019658639 /nfs/dbraw/zinc/65/86/39/1019658639.db2.gz USZYFYJTZBSRDC-UHFFFAOYSA-N 1 3 312.458 0.291 20 0 DCADHO CN(CCNC/C=C/Cl)C(=O)COC1CC[NH+](C)CC1 ZINC001493749270 1019679762 /nfs/dbraw/zinc/67/97/62/1019679762.db2.gz AJYZCKQDMKAJHD-ZZXKWVIFSA-N 1 3 303.834 0.898 20 0 DCADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001494096447 1019980755 /nfs/dbraw/zinc/98/07/55/1019980755.db2.gz JGVXIIREWLDFSP-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001494096447 1019980761 /nfs/dbraw/zinc/98/07/61/1019980761.db2.gz JGVXIIREWLDFSP-KKUMJFAQSA-N 1 3 324.469 0.433 20 0 DCADHO C[N@H+]1CCCC[C@@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC001650156356 1171550721 /nfs/dbraw/zinc/55/07/21/1171550721.db2.gz BLOVXCNTEDYNQI-LSDHHAIUSA-N 1 3 300.443 0.864 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[C@H](N2CCCCC2)C1 ZINC000333481969 295691492 /nfs/dbraw/zinc/69/14/92/295691492.db2.gz CEFLYIZHINPJBT-LSDHHAIUSA-N 1 3 310.442 0.635 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000288569958 291049988 /nfs/dbraw/zinc/04/99/88/291049988.db2.gz HLBCIQDYNMHQCS-KBPBESRZSA-N 1 3 307.394 0.686 20 0 DCADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339400088 283165850 /nfs/dbraw/zinc/16/58/50/283165850.db2.gz NLOJNBJPGWYTNP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000339400088 283165854 /nfs/dbraw/zinc/16/58/54/283165854.db2.gz NLOJNBJPGWYTNP-CABCVRRESA-N 1 3 324.469 0.530 20 0 DCADHO CCCN(CC)CCNC(=O)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000419763284 283164791 /nfs/dbraw/zinc/16/47/91/283164791.db2.gz NLUPGECJOPLEIT-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO CC[NH2+]CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000236897413 202060193 /nfs/dbraw/zinc/06/01/93/202060193.db2.gz CQYPVHZGOSCHBW-UHFFFAOYSA-N 1 3 304.438 0.924 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000236971468 202100409 /nfs/dbraw/zinc/10/04/09/202100409.db2.gz AJAHFJZQQNYFHN-GJZGRUSLSA-N 1 3 308.470 0.518 20 0 DCADHO O[C@H](Cn1cccn1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173951399 237168602 /nfs/dbraw/zinc/16/86/02/237168602.db2.gz GOCUIOYDRFOWDB-INIZCTEOSA-N 1 3 322.453 0.821 20 0 DCADHO COC(=O)Cn1cc(CCN2CCC(CC[NH+](C)C)CC2)nn1 ZINC000156298458 291224482 /nfs/dbraw/zinc/22/44/82/291224482.db2.gz LBTFIVKRXFFMQD-UHFFFAOYSA-N 1 3 323.441 0.657 20 0 DCADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)N(C)C ZINC000331592267 296047369 /nfs/dbraw/zinc/04/73/69/296047369.db2.gz IXMZQAREGLGAJW-QWHCGFSZSA-N 1 3 310.442 0.043 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000410473468 239283492 /nfs/dbraw/zinc/28/34/92/239283492.db2.gz UZCCCJLKMGFDHD-CQSZACIVSA-N 1 3 324.469 0.482 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCCN1CCCO ZINC000566962772 291330651 /nfs/dbraw/zinc/33/06/51/291330651.db2.gz CSOBXMLVNXYMHS-CQSZACIVSA-N 1 3 300.447 0.521 20 0 DCADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000423131271 240196362 /nfs/dbraw/zinc/19/63/62/240196362.db2.gz HUYKQVLGMAUULO-QGTPRVQTSA-N 1 3 303.450 0.993 20 0 DCADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000423551463 240204498 /nfs/dbraw/zinc/20/44/98/240204498.db2.gz BQLVSKSIEHMIMM-AWEZNQCLSA-N 1 3 318.421 0.897 20 0 DCADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000567096940 291336796 /nfs/dbraw/zinc/33/67/96/291336796.db2.gz DSGUTOFSUVNABO-AWEZNQCLSA-N 1 3 300.447 0.521 20 0 DCADHO C[NH+](C)CCOc1ccc(CNCCC(=O)NC(N)=O)cc1 ZINC000567377765 291352138 /nfs/dbraw/zinc/35/21/38/291352138.db2.gz BMEGJJJNODGTMH-UHFFFAOYSA-N 1 3 308.382 0.302 20 0 DCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCCN(CCCO)C1 ZINC000457837538 241041016 /nfs/dbraw/zinc/04/10/16/241041016.db2.gz OTXOFIIUSCBIKI-OWCLPIDISA-N 1 3 324.469 0.759 20 0 DCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCCN(CCCO)C1 ZINC000457837538 241041022 /nfs/dbraw/zinc/04/10/22/241041022.db2.gz OTXOFIIUSCBIKI-OWCLPIDISA-N 1 3 324.469 0.759 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@@H](O)CC(F)(F)F)C1 ZINC000567681902 291369440 /nfs/dbraw/zinc/36/94/40/291369440.db2.gz AJIWTCYTLXMZSQ-QWRGUYRKSA-N 1 3 311.348 0.477 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@@H](O)CC(F)(F)F)C1 ZINC000567681902 291369441 /nfs/dbraw/zinc/36/94/41/291369441.db2.gz AJIWTCYTLXMZSQ-QWRGUYRKSA-N 1 3 311.348 0.477 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000568534618 291434210 /nfs/dbraw/zinc/43/42/10/291434210.db2.gz PLUORMDKFJQDMQ-ILXRZTDVSA-N 1 3 324.469 0.480 20 0 DCADHO CCCC[N@H+](C)CC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000104946940 194055494 /nfs/dbraw/zinc/05/54/94/194055494.db2.gz ODGLYWBOIGVAOQ-UHFFFAOYSA-N 1 3 310.442 0.982 20 0 DCADHO CCCC[N@@H+](C)CC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000104946940 194055496 /nfs/dbraw/zinc/05/54/96/194055496.db2.gz ODGLYWBOIGVAOQ-UHFFFAOYSA-N 1 3 310.442 0.982 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333794989 252764794 /nfs/dbraw/zinc/76/47/94/252764794.db2.gz GVCIIMOWWWEOHQ-QLFBSQMISA-N 1 3 310.442 0.633 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339574614 253106788 /nfs/dbraw/zinc/10/67/88/253106788.db2.gz AJMBRIOTJVQUQI-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339574614 253106790 /nfs/dbraw/zinc/10/67/90/253106790.db2.gz AJMBRIOTJVQUQI-KBPBESRZSA-N 1 3 310.442 0.187 20 0 DCADHO CCN(CCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)C1CC1 ZINC000339643482 253120695 /nfs/dbraw/zinc/12/06/95/253120695.db2.gz IMWYKWGCLRBNAO-UHFFFAOYSA-N 1 3 324.469 0.578 20 0 DCADHO CC[NH+]1CCC(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000339669639 253123967 /nfs/dbraw/zinc/12/39/67/253123967.db2.gz XUEYUNCYVZDJNQ-UHFFFAOYSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340486805 253265332 /nfs/dbraw/zinc/26/53/32/253265332.db2.gz VCECLTZBHOXRQG-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340486805 253265334 /nfs/dbraw/zinc/26/53/34/253265334.db2.gz VCECLTZBHOXRQG-SOUVJXGZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN(C)C)NC(=O)CCCC(=O)N[C@@H](C)C[NH+](C)C ZINC000346154520 254015923 /nfs/dbraw/zinc/01/59/23/254015923.db2.gz IQWMDGNIDWIHKC-BETUJISGSA-N 1 3 300.447 0.289 20 0 DCADHO C[C@H](C[NH+](C)C)NC(=O)CCCC(=O)N[C@@H](C)CN(C)C ZINC000346154520 254015925 /nfs/dbraw/zinc/01/59/25/254015925.db2.gz IQWMDGNIDWIHKC-BETUJISGSA-N 1 3 300.447 0.289 20 0 DCADHO Cc1n[nH]cc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346644699 254077072 /nfs/dbraw/zinc/07/70/72/254077072.db2.gz DSRHYDVPUTURRK-HIFRSBDPSA-N 1 3 305.426 0.798 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000346529070 254063386 /nfs/dbraw/zinc/06/33/86/254063386.db2.gz MCFJTUFTHYFJQW-DZGCQCFKSA-N 1 3 322.453 0.140 20 0 DCADHO O=C(CCOC1C[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000349006921 254269177 /nfs/dbraw/zinc/26/91/77/254269177.db2.gz UIJNEERTNWYGCA-HNNXBMFYSA-N 1 3 303.406 0.756 20 0 DCADHO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)C[C@H]12 ZINC000351479550 254337556 /nfs/dbraw/zinc/33/75/56/254337556.db2.gz RSZIHHMATBXFAI-UHOFOFEASA-N 1 3 306.454 0.399 20 0 DCADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC000350252822 254314739 /nfs/dbraw/zinc/31/47/39/254314739.db2.gz NHNLTGMBEFSDIM-JKSUJKDBSA-N 1 3 310.442 0.677 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)NC1 ZINC000337590414 285247861 /nfs/dbraw/zinc/24/78/61/285247861.db2.gz WTUJODUZFUNBAZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC(=O)NC1 ZINC000337590414 285247863 /nfs/dbraw/zinc/24/78/63/285247863.db2.gz WTUJODUZFUNBAZ-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)n1cncn1 ZINC000348223826 285247901 /nfs/dbraw/zinc/24/79/01/285247901.db2.gz MIMPDBJKRSQKCG-LSDHHAIUSA-N 1 3 322.457 0.714 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)n1cncn1 ZINC000348223826 285247902 /nfs/dbraw/zinc/24/79/02/285247902.db2.gz MIMPDBJKRSQKCG-LSDHHAIUSA-N 1 3 322.457 0.714 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN1CCCO ZINC000418437208 262277860 /nfs/dbraw/zinc/27/78/60/262277860.db2.gz CSEXLRMQVDQSCE-ZIAGYGMSSA-N 1 3 300.447 0.650 20 0 DCADHO CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000236711315 395897007 /nfs/dbraw/zinc/89/70/07/395897007.db2.gz SYWSAPFVXCQGCH-CQSZACIVSA-N 1 3 310.442 0.271 20 0 DCADHO CC(C(=O)NCc1ccc(CC[NH+](C)C)cc1)S(C)(=O)=O ZINC000276472907 396000572 /nfs/dbraw/zinc/00/05/72/396000572.db2.gz XOPPMXHABOTYPY-GFCCVEGCSA-N 1 3 312.435 0.840 20 0 DCADHO CCC[C@H](C(=O)N1CC[C@H](N2CCN(CC)CC2)C1)[NH+](C)C ZINC000153302641 396023380 /nfs/dbraw/zinc/02/33/80/396023380.db2.gz XWQARWYFTZVKRK-JKSUJKDBSA-N 1 3 310.486 0.955 20 0 DCADHO O=C(NC[C@H]1CCCN(CCOCC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261843616 396071530 /nfs/dbraw/zinc/07/15/30/396071530.db2.gz LUHSIMYASWRCQV-CVEARBPZSA-N 1 3 309.454 0.993 20 0 DCADHO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000261682372 396056307 /nfs/dbraw/zinc/05/63/07/396056307.db2.gz LZURYCKANXXHBC-AWEZNQCLSA-N 1 3 311.451 0.978 20 0 DCADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277370159 396064536 /nfs/dbraw/zinc/06/45/36/396064536.db2.gz CGGGKQIOKWLZBJ-OWCLPIDISA-N 1 3 303.406 0.490 20 0 DCADHO CCc1ccc([C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)N(C)C)cc1 ZINC000277481918 396069985 /nfs/dbraw/zinc/06/99/85/396069985.db2.gz IZWXRACUKWBERK-ARFHVFGLSA-N 1 3 305.422 0.691 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)CCCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000249736174 396012244 /nfs/dbraw/zinc/01/22/44/396012244.db2.gz DUVMZDQNNDMIMT-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO CN1CCC[C@@H]1CNC(=O)CCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000249736174 396012246 /nfs/dbraw/zinc/01/22/46/396012246.db2.gz DUVMZDQNNDMIMT-HUUCEWRRSA-N 1 3 324.469 0.578 20 0 DCADHO O=C(NC[C@H]1CCCN(CCOCC(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000262075737 396096027 /nfs/dbraw/zinc/09/60/27/396096027.db2.gz DFNNRVRYABGCMX-OLZOCXBDSA-N 1 3 319.396 0.848 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000263234920 396207389 /nfs/dbraw/zinc/20/73/89/396207389.db2.gz JCQQNSWASPYRRY-ZBFHGGJFSA-N 1 3 324.469 0.276 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000263234920 396207393 /nfs/dbraw/zinc/20/73/93/396207393.db2.gz JCQQNSWASPYRRY-ZBFHGGJFSA-N 1 3 324.469 0.276 20 0 DCADHO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCN2CCCC[C@H]2C1 ZINC000279020117 396147797 /nfs/dbraw/zinc/14/77/97/396147797.db2.gz ONQWPDMKJYNBOO-STQMWFEESA-N 1 3 303.410 0.797 20 0 DCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262503116 396148632 /nfs/dbraw/zinc/14/86/32/396148632.db2.gz ALKZBOIFFUNRLQ-CHWSQXEVSA-N 1 3 320.437 0.578 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000262510200 396149456 /nfs/dbraw/zinc/14/94/56/396149456.db2.gz LZQQZMVVGQUNKD-MXASKKJJSA-N 1 3 317.433 0.879 20 0 DCADHO C[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)CN1CCN(C)CC1 ZINC000073904283 396153392 /nfs/dbraw/zinc/15/33/92/396153392.db2.gz FNMRRAMOYITWBX-GJZGRUSLSA-N 1 3 313.490 0.509 20 0 DCADHO CC(C)([NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000262653615 396168116 /nfs/dbraw/zinc/16/81/16/396168116.db2.gz BEJQYVUUARKSDM-UHFFFAOYSA-N 1 3 305.422 0.997 20 0 DCADHO COCCN(C)CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262696340 396173347 /nfs/dbraw/zinc/17/33/47/396173347.db2.gz BDUGKAAHYNVLLK-CQSZACIVSA-N 1 3 323.441 0.506 20 0 DCADHO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2(N)CC2)c1 ZINC000262710830 396174969 /nfs/dbraw/zinc/17/49/69/396174969.db2.gz QGTVFIPGNDXWOK-UHFFFAOYSA-N 1 3 304.394 0.086 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262782670 396181648 /nfs/dbraw/zinc/18/16/48/396181648.db2.gz NMFYGFXVSNXIOO-ZIAGYGMSSA-N 1 3 305.426 0.974 20 0 DCADHO C[C@H]([NH3+])CCC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262818334 396184685 /nfs/dbraw/zinc/18/46/85/396184685.db2.gz SAPUVLXWIMTABB-ZDUSSCGKSA-N 1 3 320.437 0.722 20 0 DCADHO CO[C@H](C[NH3+])CC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000262859255 396188451 /nfs/dbraw/zinc/18/84/51/396188451.db2.gz LBQXZEBWKISTPN-MJBXVCDLSA-N 1 3 301.431 0.356 20 0 DCADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)/C=C/C[NH+](C)C ZINC000265683453 396336685 /nfs/dbraw/zinc/33/66/85/396336685.db2.gz WMPJWUYPXYVDQP-VIIAAUOXSA-N 1 3 310.442 0.163 20 0 DCADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000269246011 396399337 /nfs/dbraw/zinc/39/93/37/396399337.db2.gz DMYPZJYIUJAMDN-HOCLYGCPSA-N 1 3 321.421 0.009 20 0 DCADHO CN(C)[C@@]1(CNC(=O)NC2(C)CC[NH2+]CC2)CCSC1 ZINC000516025333 396510163 /nfs/dbraw/zinc/51/01/63/396510163.db2.gz BXTWGAIYWSBFHG-CQSZACIVSA-N 1 3 300.472 0.865 20 0 DCADHO CN1CCN(C(=O)CCN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000372471917 396520472 /nfs/dbraw/zinc/52/04/72/396520472.db2.gz GNQOYTHMWWLOOO-MRXNPFEDSA-N 1 3 308.470 0.568 20 0 DCADHO CC[NH2+]CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000581536386 396562589 /nfs/dbraw/zinc/56/25/89/396562589.db2.gz OXDAQDFFHLAXMJ-UHFFFAOYSA-N 1 3 306.410 0.803 20 0 DCADHO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582006655 396600886 /nfs/dbraw/zinc/60/08/86/396600886.db2.gz QTDWMFYQBSDMBK-DGCLKSJQSA-N 1 3 312.439 0.533 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000584712713 396616385 /nfs/dbraw/zinc/61/63/85/396616385.db2.gz PQQMFLOQDKLDIX-UHFFFAOYSA-N 1 3 310.442 0.317 20 0 DCADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCN1CCOCC1 ZINC000374429950 396664263 /nfs/dbraw/zinc/66/42/63/396664263.db2.gz QPXCQCGWQQUSSO-IKGGRYGDSA-N 1 3 311.470 0.892 20 0 DCADHO COC(=O)CCN1CC[C@H](N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000595889692 396676949 /nfs/dbraw/zinc/67/69/49/396676949.db2.gz VLOMIWVBLQBHQY-CRWXNKLISA-N 1 3 309.410 0.210 20 0 DCADHO COC(=O)CCN1CC[C@H](N2CCC([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000595895354 396677459 /nfs/dbraw/zinc/67/74/59/396677459.db2.gz JTXFZTIBOUJPDQ-GJZGRUSLSA-N 1 3 323.437 0.472 20 0 DCADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)CN1CCOCC1 ZINC000562990154 396690680 /nfs/dbraw/zinc/69/06/80/396690680.db2.gz FJBVGJFJUMHACP-QGZVFWFLSA-N 1 3 311.470 0.676 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000562988728 396690945 /nfs/dbraw/zinc/69/09/45/396690945.db2.gz AYGILMPBSYCWDB-ZHCJQAHYSA-N 1 3 313.486 0.919 20 0 DCADHO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C[C@H](C)O1 ZINC000562988728 396690949 /nfs/dbraw/zinc/69/09/49/396690949.db2.gz AYGILMPBSYCWDB-ZHCJQAHYSA-N 1 3 313.486 0.919 20 0 DCADHO CC(C)N1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000563207882 396713822 /nfs/dbraw/zinc/71/38/22/396713822.db2.gz RJAPOVCINPGAOI-CQSZACIVSA-N 1 3 310.442 0.187 20 0 DCADHO CN(C)S(=O)(=O)CCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629535258 396779944 /nfs/dbraw/zinc/77/99/44/396779944.db2.gz CQJBVMXVKQUWMB-BFHYXJOUSA-N 1 3 319.471 0.096 20 0 DCADHO CN1CCC[C@@H](N2CCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000634260000 396823953 /nfs/dbraw/zinc/82/39/53/396823953.db2.gz PBPYSPFTBHAMDF-HZPDHXFCSA-N 1 3 323.485 0.550 20 0 DCADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCN1CC[C@H](O)C1 ZINC000629616994 396811429 /nfs/dbraw/zinc/81/14/29/396811429.db2.gz DHUAXMULEJFOFC-IRXDYDNUSA-N 1 3 307.438 0.136 20 0 DCADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCN1CC[C@H](O)C1 ZINC000629616994 396811432 /nfs/dbraw/zinc/81/14/32/396811432.db2.gz DHUAXMULEJFOFC-IRXDYDNUSA-N 1 3 307.438 0.136 20 0 DCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCNCC1 ZINC000331539252 396872545 /nfs/dbraw/zinc/87/25/45/396872545.db2.gz QEGQJSIIIQQNHO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCNCC1 ZINC000331539252 396872549 /nfs/dbraw/zinc/87/25/49/396872549.db2.gz QEGQJSIIIQQNHO-AWEZNQCLSA-N 1 3 310.442 0.141 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000332016519 396879609 /nfs/dbraw/zinc/87/96/09/396879609.db2.gz QAFSEGCJSRBSTK-RBSFLKMASA-N 1 3 312.458 0.866 20 0 DCADHO C[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC1 ZINC000332635316 396890416 /nfs/dbraw/zinc/89/04/16/396890416.db2.gz QNZXSOVXFSFBRQ-HIFRSBDPSA-N 1 3 322.453 0.140 20 0 DCADHO O=C([C@H]1CNCc2ccccc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000564932734 396902648 /nfs/dbraw/zinc/90/26/48/396902648.db2.gz CUCIXSYKCIDNOK-WBVHZDCISA-N 1 3 314.433 0.380 20 0 DCADHO C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)CN1CCN(C)CC1 ZINC000333456942 396924966 /nfs/dbraw/zinc/92/49/66/396924966.db2.gz YKZYIWRGFOQMSP-ILXRZTDVSA-N 1 3 311.474 0.167 20 0 DCADHO O=C(NCC[C@H]1CCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000571420534 396949523 /nfs/dbraw/zinc/94/95/23/396949523.db2.gz KSYDMZJIBZFHRF-MRXNPFEDSA-N 1 3 324.469 0.882 20 0 DCADHO Cn1cc(N2CCC[C@H](N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)C2=O)cn1 ZINC000342093514 396985794 /nfs/dbraw/zinc/98/57/94/396985794.db2.gz WHIAWYARGRLWTN-TUUVXOQKSA-N 1 3 317.437 0.975 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000572247252 397038381 /nfs/dbraw/zinc/03/83/81/397038381.db2.gz ZYPVRDRFFKVVGL-CYBMUJFWSA-N 1 3 319.409 0.150 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)Nc1ccc2c(c1)CNCCO2 ZINC000625897188 397030214 /nfs/dbraw/zinc/03/02/14/397030214.db2.gz RJGINJPFTFVZSR-AWEZNQCLSA-N 1 3 320.393 0.357 20 0 DCADHO O=C(NCCN1CC[C@H](O)C1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000625897188 397030219 /nfs/dbraw/zinc/03/02/19/397030219.db2.gz RJGINJPFTFVZSR-AWEZNQCLSA-N 1 3 320.393 0.357 20 0 DCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000347984175 397035459 /nfs/dbraw/zinc/03/54/59/397035459.db2.gz VRSMSZDIPLXQBB-RBSFLKMASA-N 1 3 324.469 0.528 20 0 DCADHO CC(C)COC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000571634326 396972375 /nfs/dbraw/zinc/97/23/75/396972375.db2.gz NNSROHGUQNUKJI-BRWVUGGUSA-N 1 3 314.470 0.987 20 0 DCADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1C ZINC000348020033 397036331 /nfs/dbraw/zinc/03/63/31/397036331.db2.gz QJKIKDAPUPSBPE-TUVASFSCSA-N 1 3 324.469 0.574 20 0 DCADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000612461339 397063954 /nfs/dbraw/zinc/06/39/54/397063954.db2.gz ZJLFOOYKJQEQFN-CQSZACIVSA-N 1 3 312.458 0.243 20 0 DCADHO CN1CCN(c2ccncc2NC(=O)CC[NH2+]C2CC2)CC1 ZINC000572377549 397052629 /nfs/dbraw/zinc/05/26/29/397052629.db2.gz ICDQDNIGEVVWPS-UHFFFAOYSA-N 1 3 303.410 0.914 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H](C)[NH2+]C3CC3)C2)CC1 ZINC000592219006 397135175 /nfs/dbraw/zinc/13/51/75/397135175.db2.gz CTFNLGPGMGHZME-ZBFHGGJFSA-N 1 3 308.470 0.754 20 0 DCADHO CC[C@]1(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC000573325884 397158098 /nfs/dbraw/zinc/15/80/98/397158098.db2.gz WDMFHAMOTIXCCX-UKRRQHHQSA-N 1 3 306.414 0.433 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612981396 397170332 /nfs/dbraw/zinc/17/03/32/397170332.db2.gz BVSNEQHMNVOYMV-LSDHHAIUSA-N 1 3 323.485 0.454 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000573460358 397171459 /nfs/dbraw/zinc/17/14/59/397171459.db2.gz SZCWESHHCAMPQZ-OCCSQVGLSA-N 1 3 310.442 0.077 20 0 DCADHO CC[C@@H]1CN(CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1[NH3+] ZINC000592488281 397189609 /nfs/dbraw/zinc/18/96/09/397189609.db2.gz JDKJDTDWLBZJFF-NXEZZACHSA-N 1 3 324.347 0.824 20 0 DCADHO CN(C)C[C@@H]1CCCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592559346 397214449 /nfs/dbraw/zinc/21/44/49/397214449.db2.gz NVCPDJQUQQFPQH-OLZOCXBDSA-N 1 3 305.426 0.885 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@H]2CNCCO2)CC[N@@H+](C2CCC2)C1 ZINC000574504756 397273860 /nfs/dbraw/zinc/27/38/60/397273860.db2.gz NJOJWPHAHGWGDF-UKRRQHHQSA-N 1 3 310.442 0.491 20 0 DCADHO C[C@H]1CN(C(=O)NC[C@H]2CNCCO2)CC[N@H+](C2CCC2)C1 ZINC000574504756 397273864 /nfs/dbraw/zinc/27/38/64/397273864.db2.gz NJOJWPHAHGWGDF-UKRRQHHQSA-N 1 3 310.442 0.491 20 0 DCADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620478842 397277830 /nfs/dbraw/zinc/27/78/30/397277830.db2.gz ITNPFMJYRKYMBU-IAGOWNOFSA-N 1 3 321.465 0.918 20 0 DCADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620478842 397277833 /nfs/dbraw/zinc/27/78/33/397277833.db2.gz ITNPFMJYRKYMBU-IAGOWNOFSA-N 1 3 321.465 0.918 20 0 DCADHO CN(CCOCC[NH3+])C(=O)NCC(C)(C)N1CCCCC1 ZINC000626922183 397289150 /nfs/dbraw/zinc/28/91/50/397289150.db2.gz WHIKCDVDUDVFGY-UHFFFAOYSA-N 1 3 300.447 0.868 20 0 DCADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCN3CCCCC3)c21 ZINC000592955763 397300882 /nfs/dbraw/zinc/30/08/82/397300882.db2.gz DVZFTWLQCZQMRR-ZDUSSCGKSA-N 1 3 305.426 0.935 20 0 DCADHO NC(=O)c1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000577610357 397344754 /nfs/dbraw/zinc/34/47/54/397344754.db2.gz FURYUWYPHAWGRM-HNNXBMFYSA-N 1 3 303.406 0.973 20 0 DCADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000419776296 397383494 /nfs/dbraw/zinc/38/34/94/397383494.db2.gz LPJPVNZWKLTBQG-CHWSQXEVSA-N 1 3 310.442 0.043 20 0 DCADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000419783350 397383566 /nfs/dbraw/zinc/38/35/66/397383566.db2.gz VLYGSRMCZDAFLI-ZIAGYGMSSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000578440578 397436195 /nfs/dbraw/zinc/43/61/95/397436195.db2.gz AANUWBRMUQRSKM-UMVBOHGHSA-N 1 3 320.441 0.442 20 0 DCADHO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000578458353 397439801 /nfs/dbraw/zinc/43/98/01/397439801.db2.gz UDYKLJRXRDHOLR-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO COC(=O)c1cc(CN[C@H](C)CC[NH+]2CCN(C)CC2)on1 ZINC000602615843 397450340 /nfs/dbraw/zinc/45/03/40/397450340.db2.gz LPTLMLAJJJHJJB-GFCCVEGCSA-N 1 3 310.398 0.577 20 0 DCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471652772 397452079 /nfs/dbraw/zinc/45/20/79/397452079.db2.gz HAMYPFUHGRQBOE-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCOCCN(C)C)C1 ZINC000471652772 397452085 /nfs/dbraw/zinc/45/20/85/397452085.db2.gz HAMYPFUHGRQBOE-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C1 ZINC000423583625 397396025 /nfs/dbraw/zinc/39/60/25/397396025.db2.gz CGEKGJROPVBSCP-KGLIPLIRSA-N 1 3 310.442 0.138 20 0 DCADHO CCCN(C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000578738646 397475365 /nfs/dbraw/zinc/47/53/65/397475365.db2.gz IOCABBVKWGNFTI-HUUCEWRRSA-N 1 3 322.453 0.284 20 0 DCADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)N(C)C1 ZINC000578730851 397474265 /nfs/dbraw/zinc/47/42/65/397474265.db2.gz IUIFUDXXQSSQIL-YHUYYLMFSA-N 1 3 324.469 0.735 20 0 DCADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000370681425 397514772 /nfs/dbraw/zinc/51/47/72/397514772.db2.gz GLALIMIWAAFPAY-HNNXBMFYSA-N 1 3 322.453 0.093 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC[C@@H]1CCOC1 ZINC000579682888 397587469 /nfs/dbraw/zinc/58/74/69/397587469.db2.gz XXNUFTMUXBTHKK-OAHLLOKOSA-N 1 3 314.474 0.938 20 0 DCADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC[C@H]1CCOC1 ZINC000579682887 397587639 /nfs/dbraw/zinc/58/76/39/397587639.db2.gz XXNUFTMUXBTHKK-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000579700246 397588427 /nfs/dbraw/zinc/58/84/27/397588427.db2.gz RJYRMURYKFPGPI-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO CCOCC[C@H](O)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000579701452 397588773 /nfs/dbraw/zinc/58/87/73/397588773.db2.gz FVNGSFWUGPYQDP-ZBFHGGJFSA-N 1 3 300.443 0.864 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)O)CC2)CC1 ZINC000108568679 158137283 /nfs/dbraw/zinc/13/72/83/158137283.db2.gz FAOJVDCWXLUUAM-UHFFFAOYSA-N 1 3 312.458 0.615 20 0 DCADHO CCN(CCNC(=O)NCC1([NH+](C)C)CCOCC1)C1CC1 ZINC000114025313 158150256 /nfs/dbraw/zinc/15/02/56/158150256.db2.gz CLJSZQJTNPCUIV-UHFFFAOYSA-N 1 3 312.458 0.881 20 0 DCADHO CC(C(=O)N1CCC(CCC[NH+](C)C)CC1)S(C)(=O)=O ZINC000133718071 158321488 /nfs/dbraw/zinc/32/14/88/158321488.db2.gz AEYZYHRHOKVRDJ-GFCCVEGCSA-N 1 3 304.456 1.000 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000359278915 159260794 /nfs/dbraw/zinc/26/07/94/159260794.db2.gz UVMCINUUWIVHIQ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000359278915 159260796 /nfs/dbraw/zinc/26/07/96/159260796.db2.gz UVMCINUUWIVHIQ-AWEZNQCLSA-N 1 3 312.458 0.387 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000367044346 159307884 /nfs/dbraw/zinc/30/78/84/159307884.db2.gz FNEARTFDMKUAAF-INIZCTEOSA-N 1 3 306.454 0.367 20 0 DCADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000367167670 159318414 /nfs/dbraw/zinc/31/84/14/159318414.db2.gz HNFUWTRTEBKJFH-QGZVFWFLSA-N 1 3 316.449 0.754 20 0 DCADHO COc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ncn1 ZINC000133169872 287009164 /nfs/dbraw/zinc/00/91/64/287009164.db2.gz RFALQAKFJZXFPZ-UHFFFAOYSA-N 1 3 310.402 0.442 20 0 DCADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418956796 287258020 /nfs/dbraw/zinc/25/80/20/287258020.db2.gz ZILNYTWZKUWOPJ-MELADBBJSA-N 1 3 312.458 0.467 20 0 DCADHO C[C@H]1CN(C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C[C@H]1[NH3+] ZINC000418995931 287260428 /nfs/dbraw/zinc/26/04/28/287260428.db2.gz NBVUGHQUFLYZQJ-SWLSCSKDSA-N 1 3 318.421 0.170 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])N1CCC(C)CC1 ZINC000419145325 287266846 /nfs/dbraw/zinc/26/68/46/287266846.db2.gz ACUHHGJOSMIJQN-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419146035 287267255 /nfs/dbraw/zinc/26/72/55/287267255.db2.gz HILQXVRQMFNSSD-CABCVRRESA-N 1 3 324.469 0.433 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000419340580 287281971 /nfs/dbraw/zinc/28/19/71/287281971.db2.gz XDFBZHBKAYNMEF-OUCADQQQSA-N 1 3 310.442 0.219 20 0 DCADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000420294467 287286467 /nfs/dbraw/zinc/28/64/67/287286467.db2.gz SVLUHKJFXZZEAT-JKSUJKDBSA-N 1 3 304.438 0.829 20 0 DCADHO CN(C)[C@@H](CNC(=O)CN1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420299874 287287168 /nfs/dbraw/zinc/28/71/68/287287168.db2.gz BTPWKZUSKPDDGS-CVEARBPZSA-N 1 3 320.437 0.065 20 0 DCADHO CC(C)CNC(=O)NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345378 287292968 /nfs/dbraw/zinc/29/29/68/287292968.db2.gz WAPDLFIEPPCFDS-ZIAGYGMSSA-N 1 3 310.442 0.790 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000332016513 415209831 /nfs/dbraw/zinc/20/98/31/415209831.db2.gz QAFSEGCJSRBSTK-ILXRZTDVSA-N 1 3 312.458 0.866 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000342763942 415285347 /nfs/dbraw/zinc/28/53/47/415285347.db2.gz FJAUHBARXIIHBD-ZIAGYGMSSA-N 1 3 311.426 0.744 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000342724770 415267531 /nfs/dbraw/zinc/26/75/31/415267531.db2.gz HHPXCXYFYZEXRH-RRFJBIMHSA-N 1 3 322.453 0.045 20 0 DCADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000342724771 415270483 /nfs/dbraw/zinc/27/04/83/415270483.db2.gz HHPXCXYFYZEXRH-SOUVJXGZSA-N 1 3 322.453 0.045 20 0 DCADHO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000268485385 415225102 /nfs/dbraw/zinc/22/51/02/415225102.db2.gz OVDYVLUOVNFDQS-ZDUSSCGKSA-N 1 3 317.389 0.329 20 0 DCADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCC1C[NH2+]C1 ZINC000342853154 415316994 /nfs/dbraw/zinc/31/69/94/415316994.db2.gz MVRVQBHRSGCPRF-UHFFFAOYSA-N 1 3 316.449 0.924 20 0 DCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000332252777 415317164 /nfs/dbraw/zinc/31/71/64/415317164.db2.gz SRCSJHAHFSCOCY-LXTVHRRPSA-N 1 3 322.453 0.267 20 0 DCADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000343080710 415434740 /nfs/dbraw/zinc/43/47/40/415434740.db2.gz GARCTOADPGDSCP-KRWDZBQOSA-N 1 3 316.449 0.754 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332678624 415435225 /nfs/dbraw/zinc/43/52/25/415435225.db2.gz TYRRAAINDXWSLR-BFHYXJOUSA-N 1 3 308.426 0.021 20 0 DCADHO CN(CCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1)C1CC1 ZINC000343286265 415532155 /nfs/dbraw/zinc/53/21/55/415532155.db2.gz LVDDREWIIQAAQR-UHFFFAOYSA-N 1 3 322.453 0.284 20 0 DCADHO CC[NH+]1CCC(CCNC(=O)C(=O)NCCN(C)C2CC2)CC1 ZINC000343292558 415534825 /nfs/dbraw/zinc/53/48/25/415534825.db2.gz IKFVEJWGSHGYMP-UHFFFAOYSA-N 1 3 324.469 0.435 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000343474899 415611014 /nfs/dbraw/zinc/61/10/14/415611014.db2.gz MLIDFXUQGWEYJA-CQSZACIVSA-N 1 3 307.394 0.297 20 0 DCADHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353669526 415619834 /nfs/dbraw/zinc/61/98/34/415619834.db2.gz UXFSCZLRPZFQLZ-SWLSCSKDSA-N 1 3 312.458 0.419 20 0 DCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCOC2(CNC2)C1 ZINC000333380290 415628368 /nfs/dbraw/zinc/62/83/68/415628368.db2.gz NMSLJSVJXPYPME-AWEZNQCLSA-N 1 3 310.442 0.635 20 0 DCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCOC2(CNC2)C1 ZINC000333380290 415628372 /nfs/dbraw/zinc/62/83/72/415628372.db2.gz NMSLJSVJXPYPME-AWEZNQCLSA-N 1 3 310.442 0.635 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343383599 415581822 /nfs/dbraw/zinc/58/18/22/415581822.db2.gz MZZVVMWGTNGYAY-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343383599 415581832 /nfs/dbraw/zinc/58/18/32/415581832.db2.gz MZZVVMWGTNGYAY-HZPDHXFCSA-N 1 3 308.470 0.613 20 0 DCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000343665776 415676659 /nfs/dbraw/zinc/67/66/59/415676659.db2.gz KPLPMDZGCYFTKL-ZBFHGGJFSA-N 1 3 306.454 0.509 20 0 DCADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CN2CCN1CCC2 ZINC000343665776 415676667 /nfs/dbraw/zinc/67/66/67/415676667.db2.gz KPLPMDZGCYFTKL-ZBFHGGJFSA-N 1 3 306.454 0.509 20 0 DCADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CCCO1 ZINC000333600528 415693715 /nfs/dbraw/zinc/69/37/15/415693715.db2.gz BXAHSSNIGUKUHR-GJZGRUSLSA-N 1 3 310.442 0.763 20 0 DCADHO C[N@@H+]1CCN(CCNC(=O)N2CCNC(C)(C)C2)CC1(C)C ZINC000333709860 415720822 /nfs/dbraw/zinc/72/08/22/415720822.db2.gz FHECBVNJQMEPLN-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO C[N@H+]1CCN(CCNC(=O)N2CCNC(C)(C)C2)CC1(C)C ZINC000333709860 415720828 /nfs/dbraw/zinc/72/08/28/415720828.db2.gz FHECBVNJQMEPLN-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO O=C(N[C@H]1CCC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000333718894 415722443 /nfs/dbraw/zinc/72/24/43/415722443.db2.gz UFRRUHZFGOXHJG-HNNXBMFYSA-N 1 3 310.442 0.492 20 0 DCADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCN(C2CC2)C1 ZINC000333720497 415724605 /nfs/dbraw/zinc/72/46/05/415724605.db2.gz UNPBKMXAMKKPQW-ZFWWWQNUSA-N 1 3 310.442 0.491 20 0 DCADHO CCN(CCNC(=O)NCC1CC[NH+](CCO)CC1)C1CC1 ZINC000111849976 415698729 /nfs/dbraw/zinc/69/87/29/415698729.db2.gz QILMIJYYQOUBRL-UHFFFAOYSA-N 1 3 312.458 0.474 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCC1CCN(CCO)CC1 ZINC000111852560 415699283 /nfs/dbraw/zinc/69/92/83/415699283.db2.gz FYOWGTQHLSUQMR-AWEZNQCLSA-N 1 3 314.474 0.720 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1CCN(CCO)CC1 ZINC000111852560 415699287 /nfs/dbraw/zinc/69/92/87/415699287.db2.gz FYOWGTQHLSUQMR-AWEZNQCLSA-N 1 3 314.474 0.720 20 0 DCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353474893 287315828 /nfs/dbraw/zinc/31/58/28/287315828.db2.gz WUQYTUZUDVGWSG-GJZGRUSLSA-N 1 3 322.453 0.141 20 0 DCADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000333934089 415769345 /nfs/dbraw/zinc/76/93/45/415769345.db2.gz IGAYOMQYYIIUDL-ZIAGYGMSSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000333934089 415769348 /nfs/dbraw/zinc/76/93/48/415769348.db2.gz IGAYOMQYYIIUDL-ZIAGYGMSSA-N 1 3 312.458 0.785 20 0 DCADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000290030971 415752057 /nfs/dbraw/zinc/75/20/57/415752057.db2.gz UAMFOHUQULRYAA-CQSZACIVSA-N 1 3 323.393 0.846 20 0 DCADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000128511563 415898274 /nfs/dbraw/zinc/89/82/74/415898274.db2.gz GKKXOZRGVMSMNP-UONOGXRCSA-N 1 3 305.488 0.963 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000337542010 415976143 /nfs/dbraw/zinc/97/61/43/415976143.db2.gz LKRHWZAOYJOXHU-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000337542010 415976145 /nfs/dbraw/zinc/97/61/45/415976145.db2.gz LKRHWZAOYJOXHU-GJZGRUSLSA-N 1 3 312.458 0.881 20 0 DCADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155316238 415995985 /nfs/dbraw/zinc/99/59/85/415995985.db2.gz NNXQQBAHRFAMBD-OWCLPIDISA-N 1 3 310.486 0.859 20 0 DCADHO CN(C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2CC[NH3+])CC1=O ZINC000357361417 416067466 /nfs/dbraw/zinc/06/74/66/416067466.db2.gz KANRUDYZEXEPRD-UONOGXRCSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)N(C)C1CC1 ZINC000340728693 416193533 /nfs/dbraw/zinc/19/35/33/416193533.db2.gz KMXRJMLTJRUEHQ-RYUDHWBXSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N(C)C1CC1 ZINC000340728693 416193536 /nfs/dbraw/zinc/19/35/36/416193536.db2.gz KMXRJMLTJRUEHQ-RYUDHWBXSA-N 1 3 310.442 0.184 20 0 DCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)CN1CCN(C)CC1 ZINC000346976247 416208651 /nfs/dbraw/zinc/20/86/51/416208651.db2.gz UVPVGZVEGVNHAR-HNNXBMFYSA-N 1 3 310.486 0.718 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000358491279 416244819 /nfs/dbraw/zinc/24/48/19/416244819.db2.gz DQZUSJACCUROQH-ZDUSSCGKSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000358524284 416250365 /nfs/dbraw/zinc/25/03/65/416250365.db2.gz MQLQQGWGPZZHBT-ZDUSSCGKSA-N 1 3 300.447 0.425 20 0 DCADHO C[C@@H](CN(C)C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000358524284 416250369 /nfs/dbraw/zinc/25/03/69/416250369.db2.gz MQLQQGWGPZZHBT-ZDUSSCGKSA-N 1 3 300.447 0.425 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000358808483 416277361 /nfs/dbraw/zinc/27/73/61/416277361.db2.gz FZQOKJPZBVJBBR-HOTGVXAUSA-N 1 3 323.485 0.502 20 0 DCADHO CCN1CCN([C@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000358808483 416277365 /nfs/dbraw/zinc/27/73/65/416277365.db2.gz FZQOKJPZBVJBBR-HOTGVXAUSA-N 1 3 323.485 0.502 20 0 DCADHO NC(=O)c1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)nc1 ZINC000359210270 416314640 /nfs/dbraw/zinc/31/46/40/416314640.db2.gz BLMVCMPLQAOVQA-UHFFFAOYSA-N 1 3 317.437 0.692 20 0 DCADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCOCC1 ZINC000359312448 416320684 /nfs/dbraw/zinc/32/06/84/416320684.db2.gz KZPALCACEIWOQA-ZDUSSCGKSA-N 1 3 310.442 0.633 20 0 DCADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415469141 416344867 /nfs/dbraw/zinc/34/48/67/416344867.db2.gz WZBJBECANTZDGD-AWEZNQCLSA-N 1 3 306.410 0.786 20 0 DCADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])ccc1CN(C)C ZINC000415487746 416345297 /nfs/dbraw/zinc/34/52/97/416345297.db2.gz SBKSPGBATWVWMB-OAHLLOKOSA-N 1 3 318.421 0.945 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420123758 416417053 /nfs/dbraw/zinc/41/70/53/416417053.db2.gz MHOWHBCPXKMEFW-UONOGXRCSA-N 1 3 312.458 0.289 20 0 DCADHO CN(C)[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000416814560 416377672 /nfs/dbraw/zinc/37/76/72/416377672.db2.gz VNYWBEGYWFMDCK-HUUCEWRRSA-N 1 3 306.410 0.658 20 0 DCADHO COC[C@]1(CNC(=O)NCCN2CCC(C)CC2)CCC[NH2+]1 ZINC000417005109 416381312 /nfs/dbraw/zinc/38/13/12/416381312.db2.gz CXZPUUHYTSZGBR-MRXNPFEDSA-N 1 3 312.458 0.786 20 0 DCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417870976 416384953 /nfs/dbraw/zinc/38/49/53/416384953.db2.gz JCMBXGSKXPDFCL-DZGCQCFKSA-N 1 3 309.458 0.064 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000418447134 416386888 /nfs/dbraw/zinc/38/68/88/416386888.db2.gz OZTUZSAMCZGFJZ-CABCVRRESA-N 1 3 314.474 0.896 20 0 DCADHO [NH3+][C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000418450216 416387022 /nfs/dbraw/zinc/38/70/22/416387022.db2.gz LFRPJPNKIIIKSV-HOTGVXAUSA-N 1 3 320.437 0.832 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000419034794 416395811 /nfs/dbraw/zinc/39/58/11/416395811.db2.gz GIAOTOWPYOJHTL-QWHCGFSZSA-N 1 3 310.442 0.173 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419290463 416398550 /nfs/dbraw/zinc/39/85/50/416398550.db2.gz VRRPZOJFJPOJNR-CQSZACIVSA-N 1 3 312.458 0.422 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000419415626 416401419 /nfs/dbraw/zinc/40/14/19/416401419.db2.gz VMJASIIFVQMJIO-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419735424 416407449 /nfs/dbraw/zinc/40/74/49/416407449.db2.gz QJTFOXNRVGUFIB-CQSZACIVSA-N 1 3 306.410 0.261 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419778403 416410923 /nfs/dbraw/zinc/41/09/23/416410923.db2.gz OSTOXNHFVYWEIE-KGLIPLIRSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419784761 416411441 /nfs/dbraw/zinc/41/14/41/416411441.db2.gz XTFATTPTJYXKLH-ZDUSSCGKSA-N 1 3 312.458 0.339 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000458448739 416471125 /nfs/dbraw/zinc/47/11/25/416471125.db2.gz YEBNNFYGMDXMQC-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000458448739 416471133 /nfs/dbraw/zinc/47/11/33/416471133.db2.gz YEBNNFYGMDXMQC-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@@H]1CCCCN1 ZINC000423171752 416473941 /nfs/dbraw/zinc/47/39/41/416473941.db2.gz PWHVHEGJEAXVNB-HOTGVXAUSA-N 1 3 311.470 0.988 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000423246693 416479533 /nfs/dbraw/zinc/47/95/33/416479533.db2.gz ZUNFDZPVRJKWSW-MELADBBJSA-N 1 3 310.442 0.125 20 0 DCADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000423245192 416479774 /nfs/dbraw/zinc/47/97/74/416479774.db2.gz YHLNHHKRPPNAPR-CQSZACIVSA-N 1 3 322.453 0.141 20 0 DCADHO Fc1cc(CNCCN2CC[NH2+]CC2)ccc1-n1cncn1 ZINC000583919229 416484125 /nfs/dbraw/zinc/48/41/25/416484125.db2.gz RHGWZWKZVNHOBX-UHFFFAOYSA-N 1 3 304.373 0.401 20 0 DCADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)CCN1C ZINC000361754763 416489903 /nfs/dbraw/zinc/48/99/03/416489903.db2.gz NZGZLNPSAWPJQF-SJLPKXTDSA-N 1 3 324.513 0.855 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422483640 416434265 /nfs/dbraw/zinc/43/42/65/416434265.db2.gz ASKKJFATPOMMAT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422483640 416434266 /nfs/dbraw/zinc/43/42/66/416434266.db2.gz ASKKJFATPOMMAT-LSDHHAIUSA-N 1 3 324.469 0.387 20 0 DCADHO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)CN1CCCCC1 ZINC000422975793 416456294 /nfs/dbraw/zinc/45/62/94/416456294.db2.gz UEAPRXUNMJWKKI-TWMKSMIVSA-N 1 3 311.470 0.580 20 0 DCADHO CN1CCNC[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423526950 416521600 /nfs/dbraw/zinc/52/16/00/416521600.db2.gz VIYJRKGFGOTFRE-QGPMSJSTSA-N 1 3 316.449 0.736 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423724737 416549570 /nfs/dbraw/zinc/54/95/70/416549570.db2.gz NDQDQPMEFMJZHU-KBPBESRZSA-N 1 3 310.442 0.126 20 0 DCADHO C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1CO ZINC000362076796 416556304 /nfs/dbraw/zinc/55/63/04/416556304.db2.gz LWXNYBUQPHQFHW-DJIMGWMZSA-N 1 3 319.449 0.966 20 0 DCADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H](C)C[NH3+] ZINC000423754085 416559816 /nfs/dbraw/zinc/55/98/16/416559816.db2.gz YBSXROJSCZFFAO-KGLIPLIRSA-N 1 3 313.442 0.847 20 0 DCADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H](C)C[NH3+] ZINC000423754086 416560190 /nfs/dbraw/zinc/56/01/90/416560190.db2.gz YBSXROJSCZFFAO-UONOGXRCSA-N 1 3 313.442 0.847 20 0 DCADHO C[C@H]1CN(CC2(C[N@H+]3C[C@H](CO)[C@H](C)C3)COC2)C[C@H]1CO ZINC000362089081 416560298 /nfs/dbraw/zinc/56/02/98/416560298.db2.gz RVGMFTUUFJUMPM-GEEKYZPCSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1CN(CC2(C[N@@H+]3C[C@H](CO)[C@H](C)C3)COC2)C[C@H]1CO ZINC000362089081 416560303 /nfs/dbraw/zinc/56/03/03/416560303.db2.gz RVGMFTUUFJUMPM-GEEKYZPCSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1C[N@@H+](CC2(CN3C[C@H](CO)[C@H](C)C3)COC2)C[C@H]1CO ZINC000362089081 416560307 /nfs/dbraw/zinc/56/03/07/416560307.db2.gz RVGMFTUUFJUMPM-GEEKYZPCSA-N 1 3 312.454 0.123 20 0 DCADHO C[C@H]1C[N@H+](CC2(CN3C[C@H](CO)[C@H](C)C3)COC2)C[C@H]1CO ZINC000362089081 416560312 /nfs/dbraw/zinc/56/03/12/416560312.db2.gz RVGMFTUUFJUMPM-GEEKYZPCSA-N 1 3 312.454 0.123 20 0 DCADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423516204 416518945 /nfs/dbraw/zinc/51/89/45/416518945.db2.gz GJOPVIHSYWAYTK-QEJZJMRPSA-N 1 3 322.453 0.125 20 0 DCADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423505464 416519209 /nfs/dbraw/zinc/51/92/09/416519209.db2.gz LOLBOOFMMJBMLD-KBPBESRZSA-N 1 3 312.458 0.371 20 0 DCADHO C[C@H](CC(=O)N1CCO[C@H]2CCN(C)C[C@H]21)C1CC[NH2+]CC1 ZINC000423930969 416593001 /nfs/dbraw/zinc/59/30/01/416593001.db2.gz LVSLZISPAKIWRZ-BMFZPTHFSA-N 1 3 309.454 0.944 20 0 DCADHO C[C@H](CC(=O)N1CCO[C@@H]2CCN(C)C[C@H]21)C1CC[NH2+]CC1 ZINC000423930971 416593541 /nfs/dbraw/zinc/59/35/41/416593541.db2.gz LVSLZISPAKIWRZ-FVQBIDKESA-N 1 3 309.454 0.944 20 0 DCADHO O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000424150455 416617537 /nfs/dbraw/zinc/61/75/37/416617537.db2.gz YXZGRKSDSKAGTI-CHWSQXEVSA-N 1 3 303.410 0.797 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])C[C@H]2N)cn1 ZINC000424233543 416631447 /nfs/dbraw/zinc/63/14/47/416631447.db2.gz JCXODTSCFKGIMG-CAOSSQGBSA-N 1 3 319.453 0.971 20 0 DCADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000424444401 416645337 /nfs/dbraw/zinc/64/53/37/416645337.db2.gz CQPYKVZUYCZYPM-HNNXBMFYSA-N 1 3 318.421 0.945 20 0 DCADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C[C@@H]2CCc3ncnn32)CC1 ZINC000631828455 416753428 /nfs/dbraw/zinc/75/34/28/416753428.db2.gz PJAXUOGKWQCCSE-LZWOXQAQSA-N 1 3 305.426 0.984 20 0 DCADHO CCN1CCN(CCCC[NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000425356165 416696422 /nfs/dbraw/zinc/69/64/22/416696422.db2.gz LUBZDOCOXXRLRS-UHFFFAOYSA-N 1 3 322.501 0.993 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](O)C3CC3)CC2)CC1 ZINC000368981052 416712968 /nfs/dbraw/zinc/71/29/68/416712968.db2.gz OPXUHLNPDIJKGT-INIZCTEOSA-N 1 3 324.469 0.615 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000557199847 416728434 /nfs/dbraw/zinc/72/84/34/416728434.db2.gz MLYBCTYKFYIMLF-KGLIPLIRSA-N 1 3 312.458 0.866 20 0 DCADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000425916386 416735493 /nfs/dbraw/zinc/73/54/93/416735493.db2.gz BDDABCCTERDYMY-DZGCQCFKSA-N 1 3 322.453 0.317 20 0 DCADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN2C2CC2)C1 ZINC000425916386 416735498 /nfs/dbraw/zinc/73/54/98/416735498.db2.gz BDDABCCTERDYMY-DZGCQCFKSA-N 1 3 322.453 0.317 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000426349511 416762875 /nfs/dbraw/zinc/76/28/75/416762875.db2.gz FDEWCEJVEFXNHE-IAGOWNOFSA-N 1 3 320.481 0.852 20 0 DCADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)C2)CC1 ZINC000426349511 416762881 /nfs/dbraw/zinc/76/28/81/416762881.db2.gz FDEWCEJVEFXNHE-IAGOWNOFSA-N 1 3 320.481 0.852 20 0 DCADHO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)CCCN1CCCC1 ZINC000631905092 416788194 /nfs/dbraw/zinc/78/81/94/416788194.db2.gz FSPBOIOCHQFUDB-KGLIPLIRSA-N 1 3 303.472 0.909 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000631934202 416813571 /nfs/dbraw/zinc/81/35/71/416813571.db2.gz RWDVFQGVVREJKM-AWEZNQCLSA-N 1 3 303.472 0.732 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623635349 416861898 /nfs/dbraw/zinc/86/18/98/416861898.db2.gz DVHVCTLFNAPJRW-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623635349 416861906 /nfs/dbraw/zinc/86/19/06/416861906.db2.gz DVHVCTLFNAPJRW-LSDHHAIUSA-N 1 3 312.458 0.738 20 0 DCADHO CC[NH+]1CCC(CNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000562449888 416868744 /nfs/dbraw/zinc/86/87/44/416868744.db2.gz QWAJRFCDPWGCPJ-UHFFFAOYSA-N 1 3 322.457 1.298 20 0 DCADHO O=C(CNC[C@@H]1CCCO1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000518735708 416870487 /nfs/dbraw/zinc/87/04/87/416870487.db2.gz WXGGWXFQRXBSET-HRCADAONSA-N 1 3 303.406 0.627 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000563132545 416873753 /nfs/dbraw/zinc/87/37/53/416873753.db2.gz UBKYAUZUQDHABV-RYUDHWBXSA-N 1 3 308.430 1.397 20 0 DCADHO C[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000641506417 416887946 /nfs/dbraw/zinc/88/79/46/416887946.db2.gz UEWBPXCVNCSPQF-IMJJTQAJSA-N 1 3 320.437 0.516 20 0 DCADHO CC[NH+](CC)Cc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623814815 416902003 /nfs/dbraw/zinc/90/20/03/416902003.db2.gz SVTVFOPDJMWLPC-UHFFFAOYSA-N 1 3 301.398 0.573 20 0 DCADHO CC(C)N1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000519539020 416910237 /nfs/dbraw/zinc/91/02/37/416910237.db2.gz GOCSIXKHOMTXIG-UHFFFAOYSA-N 1 3 319.453 0.905 20 0 DCADHO [NH3+]CC1(C(=O)Nc2ccc(N3CCNCC3)cn2)CCCC1 ZINC000429035691 416944153 /nfs/dbraw/zinc/94/41/53/416944153.db2.gz OTQBXYPPLMCSGQ-UHFFFAOYSA-N 1 3 303.410 0.949 20 0 DCADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637002698 416948127 /nfs/dbraw/zinc/94/81/27/416948127.db2.gz USGZGQSYDNTJKB-HUUCEWRRSA-N 1 3 311.474 0.454 20 0 DCADHO CN(C)CCCS(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000632185092 416948294 /nfs/dbraw/zinc/94/82/94/416948294.db2.gz RZDSYXVETRQBMY-UHFFFAOYSA-N 1 3 305.488 0.932 20 0 DCADHO C[C@@H]1COCCN1C1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000520248772 416953596 /nfs/dbraw/zinc/95/35/96/416953596.db2.gz KOMDSOXNOJJACV-RHSMWYFYSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@@H]1COCCN1C1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000520248772 416953603 /nfs/dbraw/zinc/95/36/03/416953603.db2.gz KOMDSOXNOJJACV-RHSMWYFYSA-N 1 3 311.470 0.627 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000565728575 417013503 /nfs/dbraw/zinc/01/35/03/417013503.db2.gz OAZWSUFZHNKJQR-CQSZACIVSA-N 1 3 324.469 0.433 20 0 DCADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CCCC1 ZINC000642785728 417101443 /nfs/dbraw/zinc/10/14/43/417101443.db2.gz FRKZSAKGRHFLJW-CABCVRRESA-N 1 3 322.453 0.221 20 0 DCADHO CC1(C)CN(CCOCC[N@@H+]2C[C@@H](O)C(C)(C)C2)C[C@H]1O ZINC000447874975 417036977 /nfs/dbraw/zinc/03/69/77/417036977.db2.gz NSVHSGXVZOYMGH-ZIAGYGMSSA-N 1 3 300.443 0.408 20 0 DCADHO CC1(C)CN(CCOCC[N@H+]2C[C@@H](O)C(C)(C)C2)C[C@H]1O ZINC000447874975 417036982 /nfs/dbraw/zinc/03/69/82/417036982.db2.gz NSVHSGXVZOYMGH-ZIAGYGMSSA-N 1 3 300.443 0.408 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000642439326 417052398 /nfs/dbraw/zinc/05/23/98/417052398.db2.gz BREXWYQNQQXPSJ-SOUVJXGZSA-N 1 3 324.469 0.420 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000642439856 417055267 /nfs/dbraw/zinc/05/52/67/417055267.db2.gz PJVFVIBDZZJOHO-MGPQQGTHSA-N 1 3 310.442 0.091 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](CO)C1 ZINC000637265453 417055325 /nfs/dbraw/zinc/05/53/25/417055325.db2.gz QHZLOCZFWLLDFY-MELADBBJSA-N 1 3 300.447 0.329 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](CO)C1 ZINC000637265453 417055332 /nfs/dbraw/zinc/05/53/32/417055332.db2.gz QHZLOCZFWLLDFY-MELADBBJSA-N 1 3 300.447 0.329 20 0 DCADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000642439969 417055455 /nfs/dbraw/zinc/05/54/55/417055455.db2.gz UGSZXJPTFIKCMY-ZNMIVQPWSA-N 1 3 324.469 0.611 20 0 DCADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000642439940 417056836 /nfs/dbraw/zinc/05/68/36/417056836.db2.gz SLCTVMPTSVYALG-KBPBESRZSA-N 1 3 310.442 0.093 20 0 DCADHO CC[C@H]1CN(C(=O)C(=O)NCCN(CC)C2CC2)CC[C@H]1[NH3+] ZINC000642756026 417088757 /nfs/dbraw/zinc/08/87/57/417088757.db2.gz GMYAZWJDHDECGA-GXTWGEPZSA-N 1 3 310.442 0.173 20 0 DCADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000642773346 417093651 /nfs/dbraw/zinc/09/36/51/417093651.db2.gz SQNHBWFNMIBVJL-WMLDXEAASA-N 1 3 322.453 0.189 20 0 DCADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000449114323 417123858 /nfs/dbraw/zinc/12/38/58/417123858.db2.gz IMINEKZFCIKYNL-OCCSQVGLSA-N 1 3 310.442 0.186 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000568294549 417119970 /nfs/dbraw/zinc/11/99/70/417119970.db2.gz VFZCLDSJFLRQAI-HUUCEWRRSA-N 1 3 324.469 0.339 20 0 DCADHO CCC[NH2+][C@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000449119059 417122217 /nfs/dbraw/zinc/12/22/17/417122217.db2.gz WAJXELBSAHDDHC-CQSZACIVSA-N 1 3 310.442 0.141 20 0 DCADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])N1CCN(C)CC1 ZINC000405373736 417123209 /nfs/dbraw/zinc/12/32/09/417123209.db2.gz KTITYCFWWOSMFC-ARFHVFGLSA-N 1 3 310.486 0.892 20 0 DCADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)Cn1cccn1 ZINC000524935101 417125281 /nfs/dbraw/zinc/12/52/81/417125281.db2.gz RZVJFOMFDHRUHE-OAHLLOKOSA-N 1 3 324.473 0.654 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000642982052 417134395 /nfs/dbraw/zinc/13/43/95/417134395.db2.gz OQVPFLPEGNKLPR-QLFBSQMISA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000449320807 417141850 /nfs/dbraw/zinc/14/18/50/417141850.db2.gz PWWOFWSQVHKBHU-KBPBESRZSA-N 1 3 320.441 0.634 20 0 DCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642989310 417142167 /nfs/dbraw/zinc/14/21/67/417142167.db2.gz NUZRVPDGLIQZBV-RRFJBIMHSA-N 1 3 322.453 0.330 20 0 DCADHO Cc1nccn1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525445867 417143032 /nfs/dbraw/zinc/14/30/32/417143032.db2.gz MEKUIEPTSNTMOO-UHFFFAOYSA-N 1 3 310.446 0.326 20 0 DCADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000411021829 417185774 /nfs/dbraw/zinc/18/57/74/417185774.db2.gz IKGQLUVCLDVNFE-SOUVJXGZSA-N 1 3 322.453 0.090 20 0 DCADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000411021829 417185779 /nfs/dbraw/zinc/18/57/79/417185779.db2.gz IKGQLUVCLDVNFE-SOUVJXGZSA-N 1 3 322.453 0.090 20 0 DCADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643513867 417229879 /nfs/dbraw/zinc/22/98/79/417229879.db2.gz ATWCDRWKJGQWIL-ZNMIVQPWSA-N 1 3 322.453 0.140 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000643545349 417241297 /nfs/dbraw/zinc/24/12/97/417241297.db2.gz DNKFQUKLJCOENE-XQLPTFJDSA-N 1 3 322.453 0.267 20 0 DCADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000643571227 417248584 /nfs/dbraw/zinc/24/85/84/417248584.db2.gz WELAATBHXUITQS-KBPBESRZSA-N 1 3 310.442 0.315 20 0 DCADHO CC(C)CN(CCN(C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627154923 417249911 /nfs/dbraw/zinc/24/99/11/417249911.db2.gz LLAWIOGGBMHMNF-UHFFFAOYSA-N 1 3 300.447 0.724 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000569458146 417255699 /nfs/dbraw/zinc/25/56/99/417255699.db2.gz OPVJUZZLQBHHAQ-TUVASFSCSA-N 1 3 322.453 0.043 20 0 DCADHO CC[NH+]1CCN([C@H](C)CNC(=O)c2conc2C(C)(C)N)CC1 ZINC000569470549 417258706 /nfs/dbraw/zinc/25/87/06/417258706.db2.gz CFXLDNKIRHJEDQ-GFCCVEGCSA-N 1 3 323.441 0.624 20 0 DCADHO C[C@H](CN1CCCCC1)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433375527 417258912 /nfs/dbraw/zinc/25/89/12/417258912.db2.gz LOLGTHLHPJSHDE-KGLIPLIRSA-N 1 3 320.441 0.807 20 0 DCADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000415261832 417349101 /nfs/dbraw/zinc/34/91/01/417349101.db2.gz DWWGJGUZUIYGSO-AWEZNQCLSA-N 1 3 318.421 0.945 20 0 DCADHO COC[C@@]1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCCN1 ZINC000638136227 417349778 /nfs/dbraw/zinc/34/97/78/417349778.db2.gz XIAPBDDGCCEGTI-QGZVFWFLSA-N 1 3 318.421 0.889 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000638156498 417354873 /nfs/dbraw/zinc/35/48/73/417354873.db2.gz IEPMOVSXMIHVAP-ZIAGYGMSSA-N 1 3 301.431 0.167 20 0 DCADHO CCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414883953 417314493 /nfs/dbraw/zinc/31/44/93/417314493.db2.gz TXCYKBAYOHMNCT-UHFFFAOYSA-N 1 3 322.384 0.478 20 0 DCADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000414881569 417314660 /nfs/dbraw/zinc/31/46/60/417314660.db2.gz RNGNLXBBAJZVIC-LBPRGKRZSA-N 1 3 318.421 0.943 20 0 DCADHO CC(=O)N[C@H]1CCN(CCCC[N@@H+]2CC[C@H](NC(C)=O)C2)C1 ZINC000570158316 417318020 /nfs/dbraw/zinc/31/80/20/417318020.db2.gz ORWNMTSIMSRKIO-HOTGVXAUSA-N 1 3 310.442 0.187 20 0 DCADHO CC(=O)N[C@H]1CCN(CCCC[N@H+]2CC[C@H](NC(C)=O)C2)C1 ZINC000570158316 417318027 /nfs/dbraw/zinc/31/80/27/417318027.db2.gz ORWNMTSIMSRKIO-HOTGVXAUSA-N 1 3 310.442 0.187 20 0 DCADHO O=C(CN1CCNCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000638086849 417318326 /nfs/dbraw/zinc/31/83/26/417318326.db2.gz KORCADROGCQVSP-UHFFFAOYSA-N 1 3 308.470 0.662 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000638086899 417318609 /nfs/dbraw/zinc/31/86/09/417318609.db2.gz WYZNROYYGQLKRL-SJORKVTESA-N 1 3 318.465 0.904 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000638086899 417318615 /nfs/dbraw/zinc/31/86/15/417318615.db2.gz WYZNROYYGQLKRL-SJORKVTESA-N 1 3 318.465 0.904 20 0 DCADHO COCCN1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638101346 417325740 /nfs/dbraw/zinc/32/57/40/417325740.db2.gz PDOXSPANHBQROT-ZBFHGGJFSA-N 1 3 321.421 0.402 20 0 DCADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638098161 417327522 /nfs/dbraw/zinc/32/75/22/417327522.db2.gz ZWJKFXTXQSGNLS-KBPBESRZSA-N 1 3 308.426 0.093 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627297987 417338259 /nfs/dbraw/zinc/33/82/59/417338259.db2.gz YIRUCIGKPLUULJ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000627297987 417338268 /nfs/dbraw/zinc/33/82/68/417338268.db2.gz YIRUCIGKPLUULJ-KBPBESRZSA-N 1 3 324.469 0.563 20 0 DCADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](N)c2ccccc2)n1 ZINC000415206862 417341153 /nfs/dbraw/zinc/34/11/53/417341153.db2.gz BZNHQDIXGYOLMA-AWEZNQCLSA-N 1 3 316.409 1.266 20 0 DCADHO Cn1cc([C@@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]C3)C[C@H]2N)cn1 ZINC000570508824 417363673 /nfs/dbraw/zinc/36/36/73/417363673.db2.gz MQYVHRVLNRKVQN-VHDGCEQUSA-N 1 3 320.441 0.246 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000638235012 417386601 /nfs/dbraw/zinc/38/66/01/417386601.db2.gz RPHVNDYFHJCPHV-INIZCTEOSA-N 1 3 305.426 0.660 20 0 DCADHO CN(C)CCn1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000638246514 417389315 /nfs/dbraw/zinc/38/93/15/417389315.db2.gz GEHHDZMLNYEVNL-UHFFFAOYSA-N 1 3 305.426 0.660 20 0 DCADHO CN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](CN)C1 ZINC000570938630 417406974 /nfs/dbraw/zinc/40/69/74/417406974.db2.gz UASGGJHNQANXRH-CQSZACIVSA-N 1 3 311.474 0.534 20 0 DCADHO O=C(CN1CCNCC1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000638328044 417421668 /nfs/dbraw/zinc/42/16/68/417421668.db2.gz CFCSRCPHXFOIGW-UHFFFAOYSA-N 1 3 309.439 0.454 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638342945 417427918 /nfs/dbraw/zinc/42/79/18/417427918.db2.gz PFMHRUVEQDLMJA-CABCVRRESA-N 1 3 315.458 0.415 20 0 DCADHO CC1(OCC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CNC1 ZINC000638553588 417488883 /nfs/dbraw/zinc/48/88/83/417488883.db2.gz BNQJHZBQDQVRSR-VHSXEESVSA-N 1 3 309.332 0.351 20 0 DCADHO C[C@@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N(C)C ZINC000529329892 417441114 /nfs/dbraw/zinc/44/11/14/417441114.db2.gz JEUIOKXTAMWNQY-DZGCQCFKSA-N 1 3 312.458 0.737 20 0 DCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCCN(CCCO)C1 ZINC000529349934 417445674 /nfs/dbraw/zinc/44/56/74/417445674.db2.gz IPMMREUKPRRFRD-UONOGXRCSA-N 1 3 310.442 0.417 20 0 DCADHO O=C(NC[C@H]1CCCCN1CCO)N[C@H]1CC[NH2+]C12CCC2 ZINC000529352169 417446867 /nfs/dbraw/zinc/44/68/67/417446867.db2.gz PWOGFHLWTOWNQH-KGLIPLIRSA-N 1 3 310.442 0.417 20 0 DCADHO O=C(Cc1cccc2c1CC[NH2+]C2)N1CCOC2(CNC2)C1 ZINC000638438755 417457794 /nfs/dbraw/zinc/45/77/94/417457794.db2.gz ZHXCWVBESWCIOW-UHFFFAOYSA-N 1 3 301.390 0.076 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000638527149 417481242 /nfs/dbraw/zinc/48/12/42/417481242.db2.gz SCLFJIDFDFSLOP-BETUJISGSA-N 1 3 304.394 0.654 20 0 DCADHO CN(C)CCNC(=O)c1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000638527120 417481838 /nfs/dbraw/zinc/48/18/38/417481838.db2.gz RJEDVRVYESIDDD-UHFFFAOYSA-N 1 3 306.410 0.901 20 0 DCADHO CN1CCC[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000638727518 417541249 /nfs/dbraw/zinc/54/12/49/417541249.db2.gz JBHCLSUIYAGWDO-OLZOCXBDSA-N 1 3 306.414 0.417 20 0 DCADHO NCc1cn([C@@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)nn1 ZINC000635000314 417556761 /nfs/dbraw/zinc/55/67/61/417556761.db2.gz LRUSMYMETCCWDD-MRXNPFEDSA-N 1 3 324.392 0.765 20 0 DCADHO NCc1cn([C@@H]2CC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)nn1 ZINC000635000314 417556766 /nfs/dbraw/zinc/55/67/66/417556766.db2.gz LRUSMYMETCCWDD-MRXNPFEDSA-N 1 3 324.392 0.765 20 0 DCADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)CCOCC[NH2+]C)C1(C)C ZINC000638593033 417498550 /nfs/dbraw/zinc/49/85/50/417498550.db2.gz ZONOLBHLFIMQOL-IUODEOHRSA-N 1 3 301.431 0.213 20 0 DCADHO C[NH+]1CCC(n2cc(NC(=O)C[C@@H]3CNCCO3)cn2)CC1 ZINC000638977849 417594810 /nfs/dbraw/zinc/59/48/10/417594810.db2.gz QKYIEHMUKQHDIZ-CQSZACIVSA-N 1 3 307.398 0.467 20 0 DCADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000576041475 417573745 /nfs/dbraw/zinc/57/37/45/417573745.db2.gz GIJQUDWKPYLHEL-IPYPFGDCSA-N 1 3 310.442 0.077 20 0 DCADHO CC[NH+]1CCN(CCC(=O)N2CCN(C)C[C@H]2C(C)C)CC1 ZINC000531299473 417617152 /nfs/dbraw/zinc/61/71/52/417617152.db2.gz NYGLYHBDZASQFZ-INIZCTEOSA-N 1 3 310.486 0.813 20 0 DCADHO C[C@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000644602829 417628758 /nfs/dbraw/zinc/62/87/58/417628758.db2.gz PWQNUEPCHYDCDS-RYQLBKOJSA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000644602829 417628762 /nfs/dbraw/zinc/62/87/62/417628762.db2.gz PWQNUEPCHYDCDS-RYQLBKOJSA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000644602830 417629204 /nfs/dbraw/zinc/62/92/04/417629204.db2.gz PWQNUEPCHYDCDS-SZMVWBNQSA-N 1 3 321.465 0.788 20 0 DCADHO C[C@H](NC[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000644602830 417629208 /nfs/dbraw/zinc/62/92/08/417629208.db2.gz PWQNUEPCHYDCDS-SZMVWBNQSA-N 1 3 321.465 0.788 20 0 DCADHO O=C(C[NH2+][C@@H]1CCNC(=O)CC1)NCCN1CCCCCC1 ZINC000639204886 417639083 /nfs/dbraw/zinc/63/90/83/417639083.db2.gz DUEHGASLEINEJW-AWEZNQCLSA-N 1 3 310.442 0.237 20 0 DCADHO CCCCN(C)C(=O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000576824247 417639862 /nfs/dbraw/zinc/63/98/62/417639862.db2.gz IBVHWQJMJXZSFT-UHFFFAOYSA-N 1 3 310.486 0.862 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000531836877 417644728 /nfs/dbraw/zinc/64/47/28/417644728.db2.gz TUOTWOMQLOKBTE-JKSUJKDBSA-N 1 3 308.470 0.565 20 0 DCADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000531836877 417644734 /nfs/dbraw/zinc/64/47/34/417644734.db2.gz TUOTWOMQLOKBTE-JKSUJKDBSA-N 1 3 308.470 0.565 20 0 DCADHO CCN1CCN(C[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635558640 417701290 /nfs/dbraw/zinc/70/12/90/417701290.db2.gz BUYVIUXSJDRDAP-OAHLLOKOSA-N 1 3 310.486 0.718 20 0 DCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000635485930 417676718 /nfs/dbraw/zinc/67/67/18/417676718.db2.gz HYWHWULYGSVEGF-ZFWWWQNUSA-N 1 3 322.453 0.269 20 0 DCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000635485930 417676723 /nfs/dbraw/zinc/67/67/23/417676723.db2.gz HYWHWULYGSVEGF-ZFWWWQNUSA-N 1 3 322.453 0.269 20 0 DCADHO C[NH+](C)CC1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000635496497 417679489 /nfs/dbraw/zinc/67/94/89/417679489.db2.gz DSAPEDBRYQMFED-UHFFFAOYSA-N 1 3 322.453 0.095 20 0 DCADHO C[C@H](CC[NH+]1CCN(C)CC1)Nc1nc(N)nc2c1CCCC2 ZINC000645216487 417715763 /nfs/dbraw/zinc/71/57/63/417715763.db2.gz PTXUYDYIAPGIJP-CYBMUJFWSA-N 1 3 318.469 0.797 20 0 DCADHO O[C@H](Cn1cccn1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682965 417716314 /nfs/dbraw/zinc/71/63/14/417716314.db2.gz NYOGFLSGAIMXGW-INIZCTEOSA-N 1 3 301.394 0.851 20 0 DCADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN1CCCO)C1CC1 ZINC000458205209 417730924 /nfs/dbraw/zinc/73/09/24/417730924.db2.gz YCHGUTJECFJEFY-OAHLLOKOSA-N 1 3 312.458 0.617 20 0 DCADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN1CCCO)C1CC1 ZINC000458205209 417730929 /nfs/dbraw/zinc/73/09/29/417730929.db2.gz YCHGUTJECFJEFY-OAHLLOKOSA-N 1 3 312.458 0.617 20 0 DCADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458237120 417731263 /nfs/dbraw/zinc/73/12/63/417731263.db2.gz KWIHEZRVIZQEQL-GJZGRUSLSA-N 1 3 314.474 0.863 20 0 DCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458237120 417731267 /nfs/dbraw/zinc/73/12/67/417731267.db2.gz KWIHEZRVIZQEQL-GJZGRUSLSA-N 1 3 314.474 0.863 20 0 DCADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758050 417736607 /nfs/dbraw/zinc/73/66/07/417736607.db2.gz OWNQJGKKTWVRGV-UHFFFAOYSA-N 1 3 319.453 0.796 20 0 DCADHO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2c(s1)CCNC2 ZINC000662525614 417795192 /nfs/dbraw/zinc/79/51/92/417795192.db2.gz JFNDYJGUXCGTLD-UHFFFAOYSA-N 1 3 323.462 0.970 20 0 DCADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)COCC[NH3+] ZINC000646254514 417819064 /nfs/dbraw/zinc/81/90/64/417819064.db2.gz WYBWEUUZUGJHQP-UHFFFAOYSA-N 1 3 315.364 0.830 20 0 DCADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000635964175 417819229 /nfs/dbraw/zinc/81/92/29/417819229.db2.gz RIVUVUQTEASGBA-LSDHHAIUSA-N 1 3 315.458 0.522 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652150360 417850508 /nfs/dbraw/zinc/85/05/08/417850508.db2.gz UGMFHFZODXOFIW-UXLLHSPISA-N 1 3 324.469 0.868 20 0 DCADHO CN1CCN(CC2CN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000646460754 417854114 /nfs/dbraw/zinc/85/41/14/417854114.db2.gz KSIKUKLYJJCERO-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO CN1CCN(CC2CN(C(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000646460754 417854119 /nfs/dbraw/zinc/85/41/19/417854119.db2.gz KSIKUKLYJJCERO-QGZVFWFLSA-N 1 3 322.497 0.957 20 0 DCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662693848 417854389 /nfs/dbraw/zinc/85/43/89/417854389.db2.gz MHMOXXNPISUWAT-KBPBESRZSA-N 1 3 310.442 0.091 20 0 DCADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1=O ZINC000636089139 417866157 /nfs/dbraw/zinc/86/61/57/417866157.db2.gz JXHBMMAXJDTLGV-MGPQQGTHSA-N 1 3 324.469 0.241 20 0 DCADHO CCN1CCN(CCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000636088121 417866484 /nfs/dbraw/zinc/86/64/84/417866484.db2.gz FYVYSXHPNOOURM-LSDHHAIUSA-N 1 3 310.486 0.859 20 0 DCADHO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)C(=O)NCCN1CCCCC1 ZINC000646557960 417869852 /nfs/dbraw/zinc/86/98/52/417869852.db2.gz WUCGULINRCUVSE-RHSMWYFYSA-N 1 3 324.469 0.625 20 0 DCADHO CN(C(=O)c1cnnn1C1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000662720228 417870955 /nfs/dbraw/zinc/87/09/55/417870955.db2.gz WLDSQHBCQFKDSH-AWEZNQCLSA-N 1 3 318.425 0.511 20 0 DCADHO O=C(NCCC1CC[NH2+]CC1)NC[C@H]1CCCN1CCCO ZINC000652322623 417884288 /nfs/dbraw/zinc/88/42/88/417884288.db2.gz PXCUDZVCHITTGG-OAHLLOKOSA-N 1 3 312.458 0.522 20 0 DCADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000662748548 417885476 /nfs/dbraw/zinc/88/54/76/417885476.db2.gz AVJIEOJKDAYKLM-RYUDHWBXSA-N 1 3 307.398 0.555 20 0 DCADHO CCc1c[nH]c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000636162289 417888370 /nfs/dbraw/zinc/88/83/70/417888370.db2.gz XMCHMRRWHLEFIY-ZDUSSCGKSA-N 1 3 309.458 0.903 20 0 DCADHO CCc1c[nH]c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000636162289 417888373 /nfs/dbraw/zinc/88/83/73/417888373.db2.gz XMCHMRRWHLEFIY-ZDUSSCGKSA-N 1 3 309.458 0.903 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662757776 417890970 /nfs/dbraw/zinc/89/09/70/417890970.db2.gz NLLHBNLBFRUKDW-AWEZNQCLSA-N 1 3 308.470 0.803 20 0 DCADHO C[C@@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@H](C)CN1 ZINC000662764811 417896307 /nfs/dbraw/zinc/89/63/07/417896307.db2.gz OYSMMYOQDIOYAR-UPJWGTAASA-N 1 3 306.414 0.415 20 0 DCADHO COCCN(CCN(C)C)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662791284 417905239 /nfs/dbraw/zinc/90/52/39/417905239.db2.gz QFTZYBOKBIPAPP-UHFFFAOYSA-N 1 3 324.425 0.792 20 0 DCADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662795225 417906820 /nfs/dbraw/zinc/90/68/20/417906820.db2.gz XSDXCQZMXCHFDI-IWCQGFGOSA-N 1 3 317.433 0.987 20 0 DCADHO O=C(C[C@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858213 417927392 /nfs/dbraw/zinc/92/73/92/417927392.db2.gz FHYMZADLQUMABX-SJORKVTESA-N 1 3 317.433 0.869 20 0 DCADHO N[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000662860160 417931641 /nfs/dbraw/zinc/93/16/41/417931641.db2.gz QUEMUQGFDDKSRT-IRXDYDNUSA-N 1 3 317.433 0.997 20 0 DCADHO N[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000662860160 417931645 /nfs/dbraw/zinc/93/16/45/417931645.db2.gz QUEMUQGFDDKSRT-IRXDYDNUSA-N 1 3 317.433 0.997 20 0 DCADHO CN(C)CCn1cc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000652612242 417932440 /nfs/dbraw/zinc/93/24/40/417932440.db2.gz MOSABFWLAZTBQQ-GXTWGEPZSA-N 1 3 306.414 0.660 20 0 DCADHO CC[NH+]1CCC(NC(=O)Cn2cc([C@H](N)C(C)(C)C)nn2)CC1 ZINC000640868135 417936239 /nfs/dbraw/zinc/93/62/39/417936239.db2.gz YCLQIVMCOJXBPS-HNNXBMFYSA-N 1 3 322.457 0.925 20 0 DCADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652668328 417939078 /nfs/dbraw/zinc/93/90/78/417939078.db2.gz XHLPEAXALUAHHQ-CYBMUJFWSA-N 1 3 312.458 0.339 20 0 DCADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652682745 417944534 /nfs/dbraw/zinc/94/45/34/417944534.db2.gz SURYBXISPOGKAO-ZDUSSCGKSA-N 1 3 310.442 0.080 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652703198 417948608 /nfs/dbraw/zinc/94/86/08/417948608.db2.gz MWQVNWAVHHYZCK-CQSZACIVSA-N 1 3 312.458 0.564 20 0 DCADHO CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000652701485 417948857 /nfs/dbraw/zinc/94/88/57/417948857.db2.gz CCSYEVGMWLIKQW-CQSZACIVSA-N 1 3 310.442 0.189 20 0 DCADHO [NH3+]CCc1nc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cs1 ZINC000662916258 417951354 /nfs/dbraw/zinc/95/13/54/417951354.db2.gz WQCJCFMJDXSEDD-LBPRGKRZSA-N 1 3 324.450 0.627 20 0 DCADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000662929552 417955128 /nfs/dbraw/zinc/95/51/28/417955128.db2.gz HFHCSNADOCJPLQ-CQSZACIVSA-N 1 3 324.469 0.659 20 0 DCADHO CC(C)[C@H](N)c1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641004761 417956896 /nfs/dbraw/zinc/95/68/96/417956896.db2.gz TXGUZXCBLBHXHS-INIZCTEOSA-N 1 3 320.441 0.677 20 0 DCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734230 417961467 /nfs/dbraw/zinc/96/14/67/417961467.db2.gz BGIBGTVITZXJLO-CYBMUJFWSA-N 1 3 312.458 0.386 20 0 DCADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000647001773 417969857 /nfs/dbraw/zinc/96/98/57/417969857.db2.gz XUFKGNVUAQYYTG-LLVKDONJSA-N 1 3 304.354 0.233 20 0 DCADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)COc1ccccc1 ZINC000647517972 418018427 /nfs/dbraw/zinc/01/84/27/418018427.db2.gz YDQUHOPIFODGLZ-MRXNPFEDSA-N 1 3 308.422 0.863 20 0 DCADHO C[C@H]1C[NH2+]C[C@@H](NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000647549080 418022005 /nfs/dbraw/zinc/02/20/05/418022005.db2.gz HPHHNKSPSYQRDS-YPMHNXCESA-N 1 3 301.456 0.531 20 0 DCADHO CCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658824433 418027288 /nfs/dbraw/zinc/02/72/88/418027288.db2.gz ZUEQPCKSLFGGKE-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO CCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658824433 418027289 /nfs/dbraw/zinc/02/72/89/418027289.db2.gz ZUEQPCKSLFGGKE-RRFJBIMHSA-N 1 3 322.453 0.092 20 0 DCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000647596670 418031712 /nfs/dbraw/zinc/03/17/12/418031712.db2.gz HDPDJGSEUSVQKZ-MELADBBJSA-N 1 3 310.442 0.315 20 0 DCADHO N[C@@H]1CCCCN(CC(=O)NCc2ccc(C[NH3+])cc2F)C1=O ZINC000653222513 418045104 /nfs/dbraw/zinc/04/51/04/418045104.db2.gz DLEMMCHULNSIAF-CQSZACIVSA-N 1 3 322.384 0.240 20 0 DCADHO CCN(C(=O)NCCC[N@H+](C)CCOC)[C@@H]1CCN(C)C1 ZINC000663691634 418047797 /nfs/dbraw/zinc/04/77/97/418047797.db2.gz LCXUILZKVMYDKY-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO CCN(C(=O)NCCC[N@@H+](C)CCOC)[C@@H]1CCN(C)C1 ZINC000663691634 418047800 /nfs/dbraw/zinc/04/78/00/418047800.db2.gz LCXUILZKVMYDKY-CQSZACIVSA-N 1 3 300.447 0.690 20 0 DCADHO C[C@@H]([NH3+])CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659541070 418114912 /nfs/dbraw/zinc/11/49/12/418114912.db2.gz ZKLIYYZUCRSLOS-CYBMUJFWSA-N 1 3 305.426 0.940 20 0 DCADHO CCCN1CC[C@@H](NC(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000659542129 418115632 /nfs/dbraw/zinc/11/56/32/418115632.db2.gz VEVAHESXDUVZPI-CQSZACIVSA-N 1 3 312.458 0.786 20 0 DCADHO CN(CCOCC(F)(F)C(F)F)CCN1CC[NH2+]CC1 ZINC000647836256 418060505 /nfs/dbraw/zinc/06/05/05/418060505.db2.gz YBOQNWSIUHGNHL-UHFFFAOYSA-N 1 3 301.328 0.740 20 0 DCADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000659112742 418062861 /nfs/dbraw/zinc/06/28/61/418062861.db2.gz KRGKBQQITLBCIO-GFCCVEGCSA-N 1 3 306.410 0.453 20 0 DCADHO COCCN1CCC[C@@H]1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000647909230 418073579 /nfs/dbraw/zinc/07/35/79/418073579.db2.gz XJCJNHGCHVHOOJ-MRXNPFEDSA-N 1 3 313.486 0.922 20 0 DCADHO COCCN1CCC[C@@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000647909230 418073582 /nfs/dbraw/zinc/07/35/82/418073582.db2.gz XJCJNHGCHVHOOJ-MRXNPFEDSA-N 1 3 313.486 0.922 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCOC1 ZINC000664017408 418076256 /nfs/dbraw/zinc/07/62/56/418076256.db2.gz ZTFBIIHCTWDLPB-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCOC1 ZINC000664017408 418076258 /nfs/dbraw/zinc/07/62/58/418076258.db2.gz ZTFBIIHCTWDLPB-KBPBESRZSA-N 1 3 300.447 0.737 20 0 DCADHO Cn1c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000647977165 418082190 /nfs/dbraw/zinc/08/21/90/418082190.db2.gz YSTUQIQLVZYKBX-ZIAGYGMSSA-N 1 3 320.437 0.296 20 0 DCADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659480798 418103769 /nfs/dbraw/zinc/10/37/69/418103769.db2.gz SXZGYADRUNINDF-BBRMVZONSA-N 1 3 320.437 0.660 20 0 DCADHO C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000659609138 418125667 /nfs/dbraw/zinc/12/56/67/418125667.db2.gz SYLTXPIXJKCMKO-GDBMZVCRSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654102040 418127563 /nfs/dbraw/zinc/12/75/63/418127563.db2.gz HKZFNNDSGAPCIG-BETUJISGSA-N 1 3 308.430 0.906 20 0 DCADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632202 418132545 /nfs/dbraw/zinc/13/25/45/418132545.db2.gz RQMYSFUNBCYJIS-GFCCVEGCSA-N 1 3 322.413 0.267 20 0 DCADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659632202 418132547 /nfs/dbraw/zinc/13/25/47/418132547.db2.gz RQMYSFUNBCYJIS-GFCCVEGCSA-N 1 3 322.413 0.267 20 0 DCADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000659685999 418146019 /nfs/dbraw/zinc/14/60/19/418146019.db2.gz WZGKYUJOYWACEY-UHFFFAOYSA-N 1 3 308.426 0.117 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000664731287 418149322 /nfs/dbraw/zinc/14/93/22/418149322.db2.gz FVAPOKXPTQXSNI-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO CN(C)CCOCCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000664731287 418149326 /nfs/dbraw/zinc/14/93/26/418149326.db2.gz FVAPOKXPTQXSNI-CYBMUJFWSA-N 1 3 300.447 0.737 20 0 DCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000659702158 418153068 /nfs/dbraw/zinc/15/30/68/418153068.db2.gz OBHCKVOWXUJMBM-TZMCWYRMSA-N 1 3 310.442 0.243 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000659726134 418164860 /nfs/dbraw/zinc/16/48/60/418164860.db2.gz CEMPELGGOWVWEJ-TUVASFSCSA-N 1 3 322.453 0.091 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000659738200 418171013 /nfs/dbraw/zinc/17/10/13/418171013.db2.gz BJWLJBXWCFCCKU-MJBXVCDLSA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742597 418173105 /nfs/dbraw/zinc/17/31/05/418173105.db2.gz ATFNTRXQSYJQAG-POZPTJLLSA-N 1 3 322.453 0.043 20 0 DCADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659745032 418174773 /nfs/dbraw/zinc/17/47/73/418174773.db2.gz OTYZDTRHBNWVNA-UHFFFAOYSA-N 1 3 322.453 0.187 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000649330198 418239670 /nfs/dbraw/zinc/23/96/70/418239670.db2.gz CMDOZCFGDJFPBG-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO CN1CC(=O)N(CCN2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000660157335 418239713 /nfs/dbraw/zinc/23/97/13/418239713.db2.gz JMFYISDQNRKUKP-UHFFFAOYSA-N 1 3 310.442 0.934 20 0 DCADHO CCN1CC[C@@H](N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1=O ZINC000660275654 418244908 /nfs/dbraw/zinc/24/49/08/418244908.db2.gz DCVQFCBSZOXHRM-MRXNPFEDSA-N 1 3 322.497 0.957 20 0 DCADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2O1 ZINC000649347138 418245704 /nfs/dbraw/zinc/24/57/04/418245704.db2.gz GUIMGZRADKQLKV-FOCJUVANSA-N 1 3 301.390 0.808 20 0 DCADHO CCN1CC[NH+](CCCCNC(=O)c2ccc(CN)o2)CC1 ZINC000649351179 418247553 /nfs/dbraw/zinc/24/75/53/418247553.db2.gz XIHIYULJJWFUOC-UHFFFAOYSA-N 1 3 308.426 0.886 20 0 DCADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000654759595 418185636 /nfs/dbraw/zinc/18/56/36/418185636.db2.gz FZIXOBQXBHOCJX-CQSZACIVSA-N 1 3 305.426 0.659 20 0 DCADHO C[C@@H](NC(=O)c1ccn(CCN(C)C)n1)C1CC[NH+](C)CC1 ZINC000654784199 418187955 /nfs/dbraw/zinc/18/79/55/418187955.db2.gz WFOWBUYWTNUVIP-CYBMUJFWSA-N 1 3 307.442 0.905 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000665271203 418192379 /nfs/dbraw/zinc/19/23/79/418192379.db2.gz JAIZVXPLSOINBY-KBXIAJHMSA-N 1 3 310.442 0.320 20 0 DCADHO CN(C)[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[C@@H]1O ZINC000665271203 418192383 /nfs/dbraw/zinc/19/23/83/418192383.db2.gz JAIZVXPLSOINBY-KBXIAJHMSA-N 1 3 310.442 0.320 20 0 DCADHO CCCN1CCC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649076687 418193864 /nfs/dbraw/zinc/19/38/64/418193864.db2.gz AYWZNNJFPMFGGV-ZIAGYGMSSA-N 1 3 310.442 0.439 20 0 DCADHO CN1CCC(O)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000654848402 418195337 /nfs/dbraw/zinc/19/53/37/418195337.db2.gz OLHHRBIWSUFDEY-UHFFFAOYSA-N 1 3 319.449 0.977 20 0 DCADHO CC(C)[N@H+](C)C[C@H](O)CN(C)CC(C)(C)CN1CCOCC1 ZINC000660122495 418233543 /nfs/dbraw/zinc/23/35/43/418233543.db2.gz WPFWVGXMJNCZMV-MRXNPFEDSA-N 1 3 315.502 0.978 20 0 DCADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)CC(C)(C)CN1CCOCC1 ZINC000660122495 418233545 /nfs/dbraw/zinc/23/35/45/418233545.db2.gz WPFWVGXMJNCZMV-MRXNPFEDSA-N 1 3 315.502 0.978 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000660122495 418233547 /nfs/dbraw/zinc/23/35/47/418233547.db2.gz WPFWVGXMJNCZMV-MRXNPFEDSA-N 1 3 315.502 0.978 20 0 DCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000660122495 418233550 /nfs/dbraw/zinc/23/35/50/418233550.db2.gz WPFWVGXMJNCZMV-MRXNPFEDSA-N 1 3 315.502 0.978 20 0 DCADHO [NH3+]CCOCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000649315773 418235418 /nfs/dbraw/zinc/23/54/18/418235418.db2.gz KOJYRRCTNSRGGM-UHFFFAOYSA-N 1 3 321.421 0.805 20 0 DCADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655690200 418288011 /nfs/dbraw/zinc/28/80/11/418288011.db2.gz ZNONJBOOTYVJOA-FUHWJXTLSA-N 1 3 324.513 0.855 20 0 DCADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656020389 418317393 /nfs/dbraw/zinc/31/73/93/418317393.db2.gz RBFKTYLANPWBTH-LSDHHAIUSA-N 1 3 322.453 0.378 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656020950 418318707 /nfs/dbraw/zinc/31/87/07/418318707.db2.gz YQMYPAZXZNZWQG-RBSFLKMASA-N 1 3 322.453 0.235 20 0 DCADHO [NH3+]CC1(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656023930 418319463 /nfs/dbraw/zinc/31/94/63/418319463.db2.gz ITHYEBVONKATIO-KBPBESRZSA-N 1 3 322.453 0.365 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656023158 418319945 /nfs/dbraw/zinc/31/99/45/418319945.db2.gz XCPXPMQSEOSYTL-MCIONIFRSA-N 1 3 310.442 0.219 20 0 DCADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000649585425 418262753 /nfs/dbraw/zinc/26/27/53/418262753.db2.gz VUXBRYIZIAOVGE-HNNXBMFYSA-N 1 3 308.470 0.615 20 0 DCADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000655577377 418277669 /nfs/dbraw/zinc/27/76/69/418277669.db2.gz VFHMQPKFIDKBMW-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000655577377 418277670 /nfs/dbraw/zinc/27/76/70/418277670.db2.gz VFHMQPKFIDKBMW-CVEARBPZSA-N 1 3 324.469 0.617 20 0 DCADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@](O)(CO)C2)cc1 ZINC000656909483 418384928 /nfs/dbraw/zinc/38/49/28/418384928.db2.gz QTAMMPLSRKBFKY-KRWDZBQOSA-N 1 3 308.422 0.946 20 0 DCADHO O=C(CC[NH2+]C1(CO)CCNCC1)N1CCc2ccccc21 ZINC000662285374 418397041 /nfs/dbraw/zinc/39/70/41/418397041.db2.gz DUYFIIHXBWYUEN-UHFFFAOYSA-N 1 3 303.406 0.670 20 0 DCADHO [NH3+]CCn1cc(C(=O)N2CCCN(C3CCCC3)CC2)nn1 ZINC000662468005 418411325 /nfs/dbraw/zinc/41/13/25/418411325.db2.gz KQYXYWLYXRUUSN-UHFFFAOYSA-N 1 3 306.414 0.327 20 0 DCADHO CN(C)[C@@]1(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCSC1 ZINC000662489007 418412637 /nfs/dbraw/zinc/41/26/37/418412637.db2.gz CVNGTUPAKXWNRZ-IAQYHMDHSA-N 1 3 323.466 0.654 20 0 DCADHO C[C@@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])C(=O)N(C)C ZINC000662316535 418400779 /nfs/dbraw/zinc/40/07/79/418400779.db2.gz WVHWFADODJQUDR-MGPQQGTHSA-N 1 3 312.458 0.419 20 0 DCADHO CN(C)[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)Cc1ccccc1 ZINC000662346798 418402730 /nfs/dbraw/zinc/40/27/30/418402730.db2.gz UYSQMIGWRNASAQ-CQSZACIVSA-N 1 3 316.409 0.140 20 0 DCADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000460036864 287510377 /nfs/dbraw/zinc/51/03/77/287510377.db2.gz SUAAYNPBTDRELV-HNNXBMFYSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCOC3)CC2)CC1 ZINC000179173311 261111831 /nfs/dbraw/zinc/11/18/31/261111831.db2.gz JJGCGAIZYNKFDA-AWEZNQCLSA-N 1 3 310.442 0.633 20 0 DCADHO CN1CCN(CCCNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000193926029 261144014 /nfs/dbraw/zinc/14/40/14/261144014.db2.gz WFTIXNBCOSWTRM-UHFFFAOYSA-N 1 3 308.470 0.615 20 0 DCADHO CC(C)C[C@@H](CN(C)C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354665142 261253748 /nfs/dbraw/zinc/25/37/48/261253748.db2.gz FAAHMZPTRJMVCG-UONOGXRCSA-N 1 3 312.458 0.337 20 0 DCADHO CC[C@@H](C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)N(C)C ZINC000354985627 261293849 /nfs/dbraw/zinc/29/38/49/261293849.db2.gz RUAJJROFBNQGJY-ZBFHGGJFSA-N 1 3 310.486 0.954 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355279224 261324375 /nfs/dbraw/zinc/32/43/75/261324375.db2.gz MZCLOIVKRBJJJT-ZNMIVQPWSA-N 1 3 324.469 0.528 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCN(C)CCOC)C1 ZINC000362348309 262025003 /nfs/dbraw/zinc/02/50/03/262025003.db2.gz GZOAXZBOBNPJFP-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCN(C)CCOC)C1 ZINC000362348309 262025005 /nfs/dbraw/zinc/02/50/05/262025005.db2.gz GZOAXZBOBNPJFP-HNNXBMFYSA-N 1 3 314.474 0.938 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416836086 262240844 /nfs/dbraw/zinc/24/08/44/262240844.db2.gz GBHNMEFXQTXQNA-HOTGVXAUSA-N 1 3 318.421 0.549 20 0 DCADHO COCCN(C)CCCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417089010 262245604 /nfs/dbraw/zinc/24/56/04/262245604.db2.gz ILNBBYUQXUOQSW-ZIAGYGMSSA-N 1 3 300.447 0.771 20 0 DCADHO COCCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417296729 262249398 /nfs/dbraw/zinc/24/93/98/262249398.db2.gz MJONFMZMCGCQHA-ZFWWWQNUSA-N 1 3 312.458 0.914 20 0 DCADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417374782 262251068 /nfs/dbraw/zinc/25/10/68/262251068.db2.gz ZOMVXUKPAAKVLK-FOLVSLTJSA-N 1 3 318.421 0.644 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417436735 262251920 /nfs/dbraw/zinc/25/19/20/262251920.db2.gz FTVWAUUJRWPRNK-HDJSIYSDSA-N 1 3 300.447 0.629 20 0 DCADHO CC[C@@H]([NH3+])CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000417547867 262255364 /nfs/dbraw/zinc/25/53/64/262255364.db2.gz PNSQQQVREZEOLN-GFCCVEGCSA-N 1 3 300.447 0.912 20 0 DCADHO CN(C)C1(CNC(=O)N2CC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736420 262259760 /nfs/dbraw/zinc/25/97/60/262259760.db2.gz MOBXITUHMZQZBI-HNNXBMFYSA-N 1 3 302.422 0.828 20 0 DCADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000417813366 262262670 /nfs/dbraw/zinc/26/26/70/262262670.db2.gz GJMSLJKAVVDWOP-OCCSQVGLSA-N 1 3 300.472 0.817 20 0 DCADHO C[C@H](CC[NH3+])NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417942042 262265861 /nfs/dbraw/zinc/26/58/61/262265861.db2.gz BFFOXKHHZQAINX-GFCCVEGCSA-N 1 3 309.414 0.559 20 0 DCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417979063 262266694 /nfs/dbraw/zinc/26/66/94/262266694.db2.gz IMXIFGSEDAOICC-GDBMZVCRSA-N 1 3 320.437 0.876 20 0 DCADHO C[NH2+]CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418069777 262269072 /nfs/dbraw/zinc/26/90/72/262269072.db2.gz GANKTPKDWSKIKO-INIZCTEOSA-N 1 3 320.437 0.796 20 0 DCADHO C[NH+](C)CCOCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000418069838 262269153 /nfs/dbraw/zinc/26/91/53/262269153.db2.gz QJTGVPHOYHATER-UHFFFAOYSA-N 1 3 306.410 0.667 20 0 DCADHO C[C@@H](C[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078193 262269294 /nfs/dbraw/zinc/26/92/94/262269294.db2.gz VJCNQBYEXOBXRX-HOCLYGCPSA-N 1 3 320.437 0.924 20 0 DCADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccco1 ZINC000418168939 262271697 /nfs/dbraw/zinc/27/16/97/262271697.db2.gz OWBDOKRLDYVIJX-MJBXVCDLSA-N 1 3 324.425 0.996 20 0 DCADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CNCCO1 ZINC000418235879 262273389 /nfs/dbraw/zinc/27/33/89/262273389.db2.gz LPHQCYHWJYUVHU-LSDHHAIUSA-N 1 3 312.458 0.785 20 0 DCADHO CC1(CNC(=O)NC[C@@H]2CCCN2CCCO)CC[NH2+]CC1 ZINC000418525614 262281364 /nfs/dbraw/zinc/28/13/64/262281364.db2.gz XYYOGBOCAOAULR-AWEZNQCLSA-N 1 3 312.458 0.522 20 0 DCADHO CCN(CCO)CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418688019 262286269 /nfs/dbraw/zinc/28/62/69/262286269.db2.gz SGGNGHAMSYIWEE-JKSUJKDBSA-N 1 3 320.437 0.355 20 0 DCADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418793719 262290199 /nfs/dbraw/zinc/29/01/99/262290199.db2.gz OYDBRMTZNGVITC-RRFJBIMHSA-N 1 3 312.458 0.594 20 0 DCADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CCCC1 ZINC000418829361 262292179 /nfs/dbraw/zinc/29/21/79/262292179.db2.gz IMYCZPRVBYMWQP-AWEZNQCLSA-N 1 3 324.469 0.611 20 0 DCADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000418846833 262292804 /nfs/dbraw/zinc/29/28/04/262292804.db2.gz ZFIJTIAWMRCNLI-AWEZNQCLSA-N 1 3 312.458 0.465 20 0 DCADHO CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC1 ZINC000418915957 262297625 /nfs/dbraw/zinc/29/76/25/262297625.db2.gz QRZITZSLGBYTSU-HIFRSBDPSA-N 1 3 324.469 0.563 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419000437 262302648 /nfs/dbraw/zinc/30/26/48/262302648.db2.gz RMMOPHVAPMQILL-UHFFFAOYSA-N 1 3 306.410 0.090 20 0 DCADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)CCC[NH2+]C ZINC000419071522 262306182 /nfs/dbraw/zinc/30/61/82/262306182.db2.gz AJGAASPZHDDOIH-AWEZNQCLSA-N 1 3 312.458 0.435 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419096460 262308755 /nfs/dbraw/zinc/30/87/55/262308755.db2.gz CMWMZFXVZZLQHR-ZNMIVQPWSA-N 1 3 324.469 0.481 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419096459 262308994 /nfs/dbraw/zinc/30/89/94/262308994.db2.gz CMWMZFXVZZLQHR-RRFJBIMHSA-N 1 3 324.469 0.481 20 0 DCADHO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419103428 262309501 /nfs/dbraw/zinc/30/95/01/262309501.db2.gz GAEIRZPTZNHQBP-AWEZNQCLSA-N 1 3 312.458 0.483 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000419119459 262310203 /nfs/dbraw/zinc/31/02/03/262310203.db2.gz JWIDUOTYCITPQE-KFWWJZLASA-N 1 3 324.469 0.481 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)[C@@H]1C[NH3+] ZINC000419120758 262310516 /nfs/dbraw/zinc/31/05/16/262310516.db2.gz ULMSGZWWXVGTSG-IUODEOHRSA-N 1 3 322.453 0.315 20 0 DCADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419125702 262310693 /nfs/dbraw/zinc/31/06/93/262310693.db2.gz UOHDYYASXVZVGT-QLFBSQMISA-N 1 3 324.469 0.611 20 0 DCADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000419158438 262314544 /nfs/dbraw/zinc/31/45/44/262314544.db2.gz NAQIDORRXMVAHH-AWEZNQCLSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000419175790 262317267 /nfs/dbraw/zinc/31/72/67/262317267.db2.gz YENGCENGIUWJTE-GJZGRUSLSA-N 1 3 324.469 0.339 20 0 DCADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1)C1CC1 ZINC000419231157 262320780 /nfs/dbraw/zinc/32/07/80/262320780.db2.gz REMAGZKKLWRECD-LSDHHAIUSA-N 1 3 322.453 0.221 20 0 DCADHO CN(C)C1(CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCC1 ZINC000419238763 262322651 /nfs/dbraw/zinc/32/26/51/262322651.db2.gz NIZCSEYJKKNZQL-UHFFFAOYSA-N 1 3 322.453 0.189 20 0 DCADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419283759 262324264 /nfs/dbraw/zinc/32/42/64/262324264.db2.gz KELHZUYNYBWUCJ-RRFJBIMHSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)N(C)C1CC1 ZINC000419588027 262338837 /nfs/dbraw/zinc/33/88/37/262338837.db2.gz NZSFNMDSMYDQFK-OLZOCXBDSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1CN ZINC000419648737 262344088 /nfs/dbraw/zinc/34/40/88/262344088.db2.gz MUFKSZGLDRTCFL-NFAWXSAZSA-N 1 3 322.453 0.173 20 0 DCADHO C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)[C@H]1CN ZINC000419648737 262344089 /nfs/dbraw/zinc/34/40/89/262344089.db2.gz MUFKSZGLDRTCFL-NFAWXSAZSA-N 1 3 322.453 0.173 20 0 DCADHO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419696897 262347162 /nfs/dbraw/zinc/34/71/62/262347162.db2.gz PPZULNWHKCYHHS-ZIAGYGMSSA-N 1 3 322.453 0.235 20 0 DCADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000420078801 262359722 /nfs/dbraw/zinc/35/97/22/262359722.db2.gz GEUAZTIBRQOBEA-UHFFFAOYSA-N 1 3 312.458 0.563 20 0 DCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420096365 262360747 /nfs/dbraw/zinc/36/07/47/262360747.db2.gz ZPRMJVIYMHTFSU-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420096365 262360748 /nfs/dbraw/zinc/36/07/48/262360748.db2.gz ZPRMJVIYMHTFSU-HIFRSBDPSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423095336 262429187 /nfs/dbraw/zinc/42/91/87/262429187.db2.gz DWLYOQMNGDCFDG-SNVBAGLBSA-N 1 3 321.393 0.960 20 0 DCADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000423740717 262458612 /nfs/dbraw/zinc/45/86/12/262458612.db2.gz GXZGTWLJJWRAFY-GJZGRUSLSA-N 1 3 309.454 0.945 20 0 DCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000424148049 262480248 /nfs/dbraw/zinc/48/02/48/262480248.db2.gz SXVGCLWKEYNXSN-JKSUJKDBSA-N 1 3 303.406 0.607 20 0 DCADHO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426451459 262553765 /nfs/dbraw/zinc/55/37/65/262553765.db2.gz QIPCWGNAAGHGBD-ZBFHGGJFSA-N 1 3 308.470 0.755 20 0 DCADHO CC[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N(C)C ZINC000359223401 271106382 /nfs/dbraw/zinc/10/63/82/271106382.db2.gz DEAPEPQUOZUYQU-AWEZNQCLSA-N 1 3 312.458 0.243 20 0 DCADHO O=C([C@H]1CCCN1C1CCOCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000361276278 271177744 /nfs/dbraw/zinc/17/77/44/271177744.db2.gz YBQHXKWDRCGACD-WBVHZDCISA-N 1 3 307.438 0.842 20 0 DCADHO C[C@@H]1C[C@H](O)CN(CCOCC[N@H+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412033709 271234675 /nfs/dbraw/zinc/23/46/75/271234675.db2.gz IYXLCUBJPIVPCF-SYMSYNOKSA-N 1 3 300.443 0.408 20 0 DCADHO C[C@@H]1C[C@H](O)CN(CCOCC[N@@H+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412033709 271234680 /nfs/dbraw/zinc/23/46/80/271234680.db2.gz IYXLCUBJPIVPCF-SYMSYNOKSA-N 1 3 300.443 0.408 20 0 DCADHO C[C@@H]1C[C@H](O)C[N@H+](CCOCCN2C[C@H](O)C[C@H](C)C2)C1 ZINC000412033709 271234683 /nfs/dbraw/zinc/23/46/83/271234683.db2.gz IYXLCUBJPIVPCF-SYMSYNOKSA-N 1 3 300.443 0.408 20 0 DCADHO C[C@@H]1C[C@H](O)C[N@@H+](CCOCCN2C[C@H](O)C[C@H](C)C2)C1 ZINC000412033709 271234686 /nfs/dbraw/zinc/23/46/86/271234686.db2.gz IYXLCUBJPIVPCF-SYMSYNOKSA-N 1 3 300.443 0.408 20 0 DCADHO CN1CC[C@@](O)(CNC(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418457112 271244329 /nfs/dbraw/zinc/24/43/29/271244329.db2.gz GMZZHEKHINSIPU-MRXNPFEDSA-N 1 3 312.458 0.665 20 0 DCADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000419027324 271266408 /nfs/dbraw/zinc/26/64/08/271266408.db2.gz OPEVXVNECUIJME-GXTWGEPZSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419029250 271268268 /nfs/dbraw/zinc/26/82/68/271268268.db2.gz RJJYJWMCVJOCPN-YRGRVCCFSA-N 1 3 310.442 0.077 20 0 DCADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCCNCC1)C(C)(C)C ZINC000419144134 271276118 /nfs/dbraw/zinc/27/61/18/271276118.db2.gz ZSVZYDROEYRBSB-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000419520227 271297098 /nfs/dbraw/zinc/29/70/98/271297098.db2.gz HESLOIUOFNQRKW-ZIAGYGMSSA-N 1 3 312.458 0.291 20 0 DCADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000419885498 271337237 /nfs/dbraw/zinc/33/72/37/271337237.db2.gz HEVKYJBVOHPRMU-UHFFFAOYSA-N 1 3 324.425 0.204 20 0 DCADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000419903375 271342269 /nfs/dbraw/zinc/34/22/69/271342269.db2.gz WQAONQJNQBWJEI-UHFFFAOYSA-N 1 3 320.437 0.221 20 0 DCADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000419932307 271344219 /nfs/dbraw/zinc/34/42/19/271344219.db2.gz DLAOCKOSEWWWLV-CYBMUJFWSA-N 1 3 300.447 0.004 20 0 DCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000419955944 271349013 /nfs/dbraw/zinc/34/90/13/271349013.db2.gz NUHGACBHAKLWIT-ZDUSSCGKSA-N 1 3 300.447 0.275 20 0 DCADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000420115276 271356761 /nfs/dbraw/zinc/35/67/61/271356761.db2.gz FFFCFDAVKKOGCU-ZDUSSCGKSA-N 1 3 300.447 0.419 20 0 DCADHO CN1CCN(C(=O)CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422721114 271380823 /nfs/dbraw/zinc/38/08/23/271380823.db2.gz UPBZNDBYTCGCLO-BZUAXINKSA-N 1 3 308.470 0.661 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCN(C)C2=O)CC[NH2+]CC1 ZINC000422822780 271386133 /nfs/dbraw/zinc/38/61/33/271386133.db2.gz KPFRGXSLTSDJFS-OLZOCXBDSA-N 1 3 311.426 0.518 20 0 DCADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCCN(C)C2=O)CC[NH2+]CC1 ZINC000422822779 271387351 /nfs/dbraw/zinc/38/73/51/271387351.db2.gz KPFRGXSLTSDJFS-CHWSQXEVSA-N 1 3 311.426 0.518 20 0 DCADHO CCCS(=O)(=O)N1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422858480 271389872 /nfs/dbraw/zinc/38/98/72/271389872.db2.gz ITZIYLJWMJBANO-JSGCOSHPSA-N 1 3 303.472 0.778 20 0 DCADHO CN(C)CCOCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000471656808 272028519 /nfs/dbraw/zinc/02/85/19/272028519.db2.gz UNVRUTBHFTWPBK-OAHLLOKOSA-N 1 3 312.458 0.834 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000487194575 272039326 /nfs/dbraw/zinc/03/93/26/272039326.db2.gz CGCPXQOKYGOYLJ-HUUCEWRRSA-N 1 3 310.486 0.716 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000487194575 272039328 /nfs/dbraw/zinc/03/93/28/272039328.db2.gz CGCPXQOKYGOYLJ-HUUCEWRRSA-N 1 3 310.486 0.716 20 0 DCADHO CCN(C(=O)/C=C\CN(C)C)C1CN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000492015088 272113462 /nfs/dbraw/zinc/11/34/62/272113462.db2.gz CRCCCUXEZBRGDO-ZWOQCJTASA-N 1 3 322.453 0.281 20 0 DCADHO CCN(C(=O)/C=C\C[NH+](C)C)C1CN(C(=O)/C=C/CN(C)C)C1 ZINC000492015088 272113465 /nfs/dbraw/zinc/11/34/65/272113465.db2.gz CRCCCUXEZBRGDO-ZWOQCJTASA-N 1 3 322.453 0.281 20 0 DCADHO CN(C)C/C=C\C(=O)N(C)CCCN(C)C(=O)/C=C\C[NH+](C)C ZINC000492381177 272126284 /nfs/dbraw/zinc/12/62/84/272126284.db2.gz SFKOCIOZPDMDHA-DEFDFUCDSA-N 1 3 324.469 0.529 20 0 DCADHO O=C([C@@H]1CCCN1C1CC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000492895422 272156848 /nfs/dbraw/zinc/15/68/48/272156848.db2.gz TXLJNTJLNVSKSV-KRWDZBQOSA-N 1 3 320.481 0.853 20 0 DCADHO CN(C)CCOc1cnccc1CNC(=O)/C=C/C[NH+](C)C ZINC000492945116 272160168 /nfs/dbraw/zinc/16/01/68/272160168.db2.gz BUIPUWNVEXDXLD-AATRIKPKSA-N 1 3 306.410 0.756 20 0 DCADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000526131763 287689331 /nfs/dbraw/zinc/68/93/31/287689331.db2.gz NGFYKQFQIZSEOV-UHFFFAOYSA-N 1 3 320.437 0.885 20 0 DCADHO C[C@@H]1C[C@H](N(C)C(=O)C2([S@@](C)=O)CC[NH2+]CC2)CCN1C ZINC001649962656 1173342648 /nfs/dbraw/zinc/34/26/48/1173342648.db2.gz YLBOGSXLOFDKDR-SQHYZVFZSA-N 1 3 315.483 0.428 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000342094428 276119755 /nfs/dbraw/zinc/11/97/55/276119755.db2.gz YKFYEUNWULPBHE-ZFWWWQNUSA-N 1 3 324.469 0.528 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000343873950 277319833 /nfs/dbraw/zinc/31/98/33/277319833.db2.gz NIHNKFFBGIJCGT-QEJZJMRPSA-N 1 3 323.437 0.742 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000343873950 277319835 /nfs/dbraw/zinc/31/98/35/277319835.db2.gz NIHNKFFBGIJCGT-QEJZJMRPSA-N 1 3 323.437 0.742 20 0 DCADHO C[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)C[NH+]1CCCCC1 ZINC000545884042 288003670 /nfs/dbraw/zinc/00/36/70/288003670.db2.gz FDBUJNLYELUIOI-GDBMZVCRSA-N 1 3 312.458 0.474 20 0 DCADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCCN(C)CCOC)C1 ZINC000176442465 279167104 /nfs/dbraw/zinc/16/71/04/279167104.db2.gz HRZFTTSXSJLHED-AWEZNQCLSA-N 1 3 300.447 0.690 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000359294767 279190807 /nfs/dbraw/zinc/19/08/07/279190807.db2.gz VOROKFBNBHBNCD-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000359294767 279190808 /nfs/dbraw/zinc/19/08/08/279190808.db2.gz VOROKFBNBHBNCD-AWEZNQCLSA-N 1 3 310.442 0.187 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340787472 279306907 /nfs/dbraw/zinc/30/69/07/279306907.db2.gz AFTGZNIGWDJDDW-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000340787472 279306910 /nfs/dbraw/zinc/30/69/10/279306910.db2.gz AFTGZNIGWDJDDW-RBSFLKMASA-N 1 3 322.453 0.330 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348020111 279308052 /nfs/dbraw/zinc/30/80/52/279308052.db2.gz QOFSDGDYRZOWGV-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348020111 279308056 /nfs/dbraw/zinc/30/80/56/279308056.db2.gz QOFSDGDYRZOWGV-MELADBBJSA-N 1 3 310.442 0.186 20 0 DCADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3([NH3+])CCCC3)C2)CC1 ZINC000364849327 279511699 /nfs/dbraw/zinc/51/16/99/279511699.db2.gz GOVGSRNZMXACHO-HNNXBMFYSA-N 1 3 308.470 0.885 20 0 DCADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000364260292 288159547 /nfs/dbraw/zinc/15/95/47/288159547.db2.gz VFAHXIPFRYGVEC-GUTXKFCHSA-N 1 3 301.406 0.694 20 0 DCADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366280702 280086888 /nfs/dbraw/zinc/08/68/88/280086888.db2.gz LUSMNXXSLPQGRD-BPUTZDHNSA-N 1 3 307.438 0.840 20 0 DCADHO [NH3+]C[C@@H]1CN(C(=O)C23CCCN2CCC3)CC12CCOCC2 ZINC000563116940 288633675 /nfs/dbraw/zinc/63/36/75/288633675.db2.gz QCZOZMQYWBPSQV-CQSZACIVSA-N 1 3 307.438 0.829 20 0 DCADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC2CNC2)cc1 ZINC000563478627 288679780 /nfs/dbraw/zinc/67/97/80/288679780.db2.gz KNMODMHFSWWZIH-UHFFFAOYSA-N 1 3 304.394 0.555 20 0 DCADHO CN(C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000565251849 288838578 /nfs/dbraw/zinc/83/85/78/288838578.db2.gz WQWGBNMEDXJOQM-ZDUSSCGKSA-N 1 3 320.393 0.044 20 0 DCADHO CN1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175532963 289068170 /nfs/dbraw/zinc/06/81/70/289068170.db2.gz UNNAZCDWTQJRII-UHFFFAOYSA-N 1 3 311.474 0.406 20 0 DCADHO C[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)N1CCCCCC1 ZINC000261963609 298083581 /nfs/dbraw/zinc/08/35/81/298083581.db2.gz AOQGMPCHABHJGF-CVEARBPZSA-N 1 3 308.470 0.757 20 0 DCADHO NC[C@@H]1CCCCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000419754577 303394392 /nfs/dbraw/zinc/39/43/92/303394392.db2.gz AOFTUWQCZKYIPK-HNNXBMFYSA-N 1 3 322.453 0.317 20 0 DCADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000189321422 333073416 /nfs/dbraw/zinc/07/34/16/333073416.db2.gz KSXWERVPAWOEFA-JKSUJKDBSA-N 1 3 318.421 0.791 20 0 DCADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]C/C=C/Cl)CCC1 ZINC001571581299 1159218788 /nfs/dbraw/zinc/21/87/88/1159218788.db2.gz IHSBZSUBSMTKMM-ZCRIDZFUSA-N 1 3 303.834 0.632 20 0 DCADHO C[C@H]1CCN[C@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000582476020 337095906 /nfs/dbraw/zinc/09/59/06/337095906.db2.gz FWKSVVYZTOJIIQ-JSGCOSHPSA-N 1 3 303.410 0.818 20 0 DCADHO C[C@@H](Oc1ccccn1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000582765845 337139514 /nfs/dbraw/zinc/13/95/14/337139514.db2.gz HVWNOZIFOVXYSX-CQSZACIVSA-N 1 3 308.426 0.801 20 0 DCADHO CCN(CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CC1 ZINC000582842602 337208165 /nfs/dbraw/zinc/20/81/65/337208165.db2.gz FYRIOXIAARWDLY-LBPRGKRZSA-N 1 3 306.414 0.244 20 0 DCADHO [NH3+][C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H]1c1ccccc1F ZINC000582964262 337219877 /nfs/dbraw/zinc/21/98/77/337219877.db2.gz XWBPYHMPGHAWNZ-CORIIIEPSA-N 1 3 307.369 0.457 20 0 DCADHO C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCCC1 ZINC000577510331 341914329 /nfs/dbraw/zinc/91/43/29/341914329.db2.gz IZUWNPSSFFOLAS-OLZOCXBDSA-N 1 3 306.414 0.244 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001446536514 1159462301 /nfs/dbraw/zinc/46/23/01/1159462301.db2.gz KNYRNDMPPXGFBY-ZFWWWQNUSA-N 1 3 303.422 0.629 20 0 DCADHO CCN(CC)C[C@H](F)C(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001446536514 1159462306 /nfs/dbraw/zinc/46/23/06/1159462306.db2.gz KNYRNDMPPXGFBY-ZFWWWQNUSA-N 1 3 303.422 0.629 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC(N)=O)C1 ZINC001568393731 1160640322 /nfs/dbraw/zinc/64/03/22/1160640322.db2.gz RHCUOKCKRVYGBW-UONOGXRCSA-N 1 3 310.442 0.174 20 0 DCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369778513 520574618 /nfs/dbraw/zinc/57/46/18/520574618.db2.gz RDDXEYDLWFUAAB-JKSUJKDBSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CC[C@H]([NH2+][C@H]2CCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000366297860 521721728 /nfs/dbraw/zinc/72/17/28/521721728.db2.gz DKZGUJQMHORUIM-BZSNNMDCSA-N 1 3 324.513 0.713 20 0 DCADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000366297860 521721729 /nfs/dbraw/zinc/72/17/29/521721729.db2.gz DKZGUJQMHORUIM-BZSNNMDCSA-N 1 3 324.513 0.713 20 0 DCADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000366297860 521721731 /nfs/dbraw/zinc/72/17/31/521721731.db2.gz DKZGUJQMHORUIM-BZSNNMDCSA-N 1 3 324.513 0.713 20 0 DCADHO COc1cc(CNC(=O)[C@@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000237349555 522429294 /nfs/dbraw/zinc/42/92/94/522429294.db2.gz RETPJPPMYVSKSU-CQSZACIVSA-N 1 3 321.421 0.861 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000080146255 545688596 /nfs/dbraw/zinc/68/85/96/545688596.db2.gz MZTDWXWFVIIZHO-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO COC1CCN(CCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000080146255 545688603 /nfs/dbraw/zinc/68/86/03/545688603.db2.gz MZTDWXWFVIIZHO-HNNXBMFYSA-N 1 3 324.469 0.881 20 0 DCADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261639486 545977039 /nfs/dbraw/zinc/97/70/39/545977039.db2.gz CMDOZCFGDJFPBG-UKRRQHHQSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000362187413 546204826 /nfs/dbraw/zinc/20/48/26/546204826.db2.gz PXQGKKBCPGXBBU-WRQOLXDDSA-N 1 3 313.486 0.871 20 0 DCADHO C[C@@H]1CN(C[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000362187413 546204830 /nfs/dbraw/zinc/20/48/30/546204830.db2.gz PXQGKKBCPGXBBU-WRQOLXDDSA-N 1 3 313.486 0.871 20 0 DCADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000416970038 546244305 /nfs/dbraw/zinc/24/43/05/546244305.db2.gz DAWUYBQJPUEZLF-UKRRQHHQSA-N 1 3 311.474 0.582 20 0 DCADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000615272239 546315139 /nfs/dbraw/zinc/31/51/39/546315139.db2.gz BSDCMUNWAJWEIZ-GJZGRUSLSA-N 1 3 308.470 0.565 20 0 DCADHO [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000638066945 546335482 /nfs/dbraw/zinc/33/54/82/546335482.db2.gz OXEAAULTXMTNET-CVEARBPZSA-N 1 3 319.405 0.698 20 0 DCADHO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H]1CCC3(CNC3)O1)CC2 ZINC000662254866 546372710 /nfs/dbraw/zinc/37/27/10/546372710.db2.gz BOCQHQOOAWGHGJ-SOUVJXGZSA-N 1 3 310.438 0.759 20 0 DCADHO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H]1CCC3(CNC3)O1)CC2 ZINC000662254862 546373511 /nfs/dbraw/zinc/37/35/11/546373511.db2.gz BOCQHQOOAWGHGJ-RBSFLKMASA-N 1 3 310.438 0.759 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000665758297 546393364 /nfs/dbraw/zinc/39/33/64/546393364.db2.gz DYSREGVUMGXFQF-ZNMIVQPWSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@@H]1O ZINC000665758297 546393368 /nfs/dbraw/zinc/39/33/68/546393368.db2.gz DYSREGVUMGXFQF-ZNMIVQPWSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000665761674 546394612 /nfs/dbraw/zinc/39/46/12/546394612.db2.gz MPRMAULCVPQDIM-RRFJBIMHSA-N 1 3 314.474 0.719 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000665761674 546394614 /nfs/dbraw/zinc/39/46/14/546394614.db2.gz MPRMAULCVPQDIM-RRFJBIMHSA-N 1 3 314.474 0.719 20 0 DCADHO COC1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665761122 546394822 /nfs/dbraw/zinc/39/48/22/546394822.db2.gz YCPAUZFJHMBEBI-ZDUSSCGKSA-N 1 3 300.447 0.689 20 0 DCADHO COC1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665761122 546394825 /nfs/dbraw/zinc/39/48/25/546394825.db2.gz YCPAUZFJHMBEBI-ZDUSSCGKSA-N 1 3 300.447 0.689 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1CCO ZINC000665761857 546398106 /nfs/dbraw/zinc/39/81/06/546398106.db2.gz RQTKRBAITAITOS-LSDHHAIUSA-N 1 3 314.474 0.815 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1CCO ZINC000665761857 546398112 /nfs/dbraw/zinc/39/81/12/546398112.db2.gz RQTKRBAITAITOS-LSDHHAIUSA-N 1 3 314.474 0.815 20 0 DCADHO CCCN1CC[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000666920558 546527225 /nfs/dbraw/zinc/52/72/25/546527225.db2.gz XXRIXGQAZAYSSR-OAHLLOKOSA-N 1 3 313.490 0.653 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000668581742 546790916 /nfs/dbraw/zinc/79/09/16/546790916.db2.gz KKAZOECHJUUOJP-HUUCEWRRSA-N 1 3 324.469 0.435 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000668584105 546793511 /nfs/dbraw/zinc/79/35/11/546793511.db2.gz AYNJVHUKEPXSSN-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000668584105 546793514 /nfs/dbraw/zinc/79/35/14/546793514.db2.gz AYNJVHUKEPXSSN-SOUVJXGZSA-N 1 3 322.453 0.330 20 0 DCADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000668752389 546839667 /nfs/dbraw/zinc/83/96/67/546839667.db2.gz KVSMEQUQCWWIMZ-UKRRQHHQSA-N 1 3 324.469 0.433 20 0 DCADHO CC1CC[NH+](CCCNC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000668803258 546850261 /nfs/dbraw/zinc/85/02/61/546850261.db2.gz MZZKNVFYTRIAIP-UHFFFAOYSA-N 1 3 310.442 0.492 20 0 DCADHO COC1CCN(C(C)(C)CNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669469561 546974363 /nfs/dbraw/zinc/97/43/63/546974363.db2.gz KFZKYZGMCWNEGX-UHFFFAOYSA-N 1 3 312.458 0.927 20 0 DCADHO CC(C)[C@H]1CN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CCN1 ZINC000669514693 546982282 /nfs/dbraw/zinc/98/22/82/546982282.db2.gz AAJLTCJUFQDRJG-CQSZACIVSA-N 1 3 305.426 0.418 20 0 DCADHO COCC1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC[NH2+]CC1 ZINC000669529400 546985790 /nfs/dbraw/zinc/98/57/90/546985790.db2.gz OYHUJZRAGKPCFL-UKRRQHHQSA-N 1 3 324.469 0.785 20 0 DCADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCO1 ZINC000669570905 546992852 /nfs/dbraw/zinc/99/28/52/546992852.db2.gz LIUADDLVPMLHGL-NVXWUHKLSA-N 1 3 324.469 0.882 20 0 DCADHO CN1CCN(CCNC(=O)NC[C@@H]2CCCC[NH2+]2)CC1(C)C ZINC000669580093 546993713 /nfs/dbraw/zinc/99/37/13/546993713.db2.gz HPDIHLYKEWNCJC-AWEZNQCLSA-N 1 3 311.474 0.454 20 0 DCADHO CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000670630113 547117138 /nfs/dbraw/zinc/11/71/38/547117138.db2.gz UYWIGADIGRVUJN-HNNXBMFYSA-N 1 3 324.469 0.576 20 0 DCADHO CCN1C[C@H](C)[C@H](NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672013873 547312801 /nfs/dbraw/zinc/31/28/01/547312801.db2.gz OMTVOCHLILLFQY-GZBFAFLISA-N 1 3 324.469 0.289 20 0 DCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000672694595 547392781 /nfs/dbraw/zinc/39/27/81/547392781.db2.gz YLQQKQIMQVBWNX-CQSZACIVSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@H]1COCC[C@@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000673158111 547452800 /nfs/dbraw/zinc/45/28/00/547452800.db2.gz OMLCBTVJGLQPSJ-LSDHHAIUSA-N 1 3 314.474 0.794 20 0 DCADHO C[C@H](CCN1CC[C@H](CC(N)=O)C1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676871236 547828144 /nfs/dbraw/zinc/82/81/44/547828144.db2.gz RDEKVUGCWLAYQP-MCIONIFRSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CCN1CC[C@H](CC(N)=O)C1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676871236 547828147 /nfs/dbraw/zinc/82/81/47/547828147.db2.gz RDEKVUGCWLAYQP-MCIONIFRSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@@H+]1CC[C@H](CC(N)=O)C1)N1CC[C@@H](CC(N)=O)C1 ZINC000676871236 547828150 /nfs/dbraw/zinc/82/81/50/547828150.db2.gz RDEKVUGCWLAYQP-MCIONIFRSA-N 1 3 310.442 0.160 20 0 DCADHO C[C@H](CC[N@H+]1CC[C@H](CC(N)=O)C1)N1CC[C@@H](CC(N)=O)C1 ZINC000676871236 547828155 /nfs/dbraw/zinc/82/81/55/547828155.db2.gz RDEKVUGCWLAYQP-MCIONIFRSA-N 1 3 310.442 0.160 20 0 DCADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCC[C@@H]2CNCCS2(=O)=O)C1 ZINC000925789655 661071067 /nfs/dbraw/zinc/07/10/67/661071067.db2.gz WJONSWRTQTUTJD-JHJVBQTASA-N 1 3 303.472 0.259 20 0 DCADHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)C1 ZINC000925789655 661071069 /nfs/dbraw/zinc/07/10/69/661071069.db2.gz WJONSWRTQTUTJD-JHJVBQTASA-N 1 3 303.472 0.259 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028036741 661091849 /nfs/dbraw/zinc/09/18/49/661091849.db2.gz GGPUGCGPWIQHIE-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028036741 661091851 /nfs/dbraw/zinc/09/18/51/661091851.db2.gz GGPUGCGPWIQHIE-GYMHETDLSA-N 1 3 307.438 0.840 20 0 DCADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC2(C1)CCCN(CCO)C2 ZINC000981772404 661214064 /nfs/dbraw/zinc/21/40/64/661214064.db2.gz SKAUTSOZQPPGGH-OAHLLOKOSA-N 1 3 307.438 0.245 20 0 DCADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CCCO)C2)C1CCC1 ZINC000981815776 661223850 /nfs/dbraw/zinc/22/38/50/661223850.db2.gz AERBNZNHXBYNDI-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2)C1CCC1 ZINC000981815776 661223851 /nfs/dbraw/zinc/22/38/51/661223851.db2.gz AERBNZNHXBYNDI-UHFFFAOYSA-N 1 3 309.454 0.778 20 0 DCADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CCCN(CCO)C2 ZINC000981823035 661224959 /nfs/dbraw/zinc/22/49/59/661224959.db2.gz XKZXABQWQIURGF-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC2(C1)CCCN(CCO)C2 ZINC000981823035 661224960 /nfs/dbraw/zinc/22/49/60/661224960.db2.gz XKZXABQWQIURGF-OAHLLOKOSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@H+](C[C@H]1CCOC1)C2 ZINC000982036309 661282257 /nfs/dbraw/zinc/28/22/57/661282257.db2.gz DTMXOJPSFAIIBT-CQSZACIVSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@@H+](C[C@H]1CCOC1)C2 ZINC000982036309 661282258 /nfs/dbraw/zinc/28/22/58/661282258.db2.gz DTMXOJPSFAIIBT-CQSZACIVSA-N 1 3 318.421 0.913 20 0 DCADHO COc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC001023084090 657485028 /nfs/dbraw/zinc/48/50/28/657485028.db2.gz ILOLWVHGXYRWAA-SDDRHHMPSA-N 1 3 324.450 0.840 20 0 DCADHO COc1cc(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001023084090 657485030 /nfs/dbraw/zinc/48/50/30/657485030.db2.gz ILOLWVHGXYRWAA-SDDRHHMPSA-N 1 3 324.450 0.840 20 0 DCADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1CCN(C2CC2)C1 ZINC000891560475 657485881 /nfs/dbraw/zinc/48/58/81/657485881.db2.gz OQEMBGZNWCWIKL-WDEREUQCSA-N 1 3 302.369 0.767 20 0 DCADHO C[C@@H](CNC(=O)N1C2CCC1(C[NH3+])CC2)CN1CCN(C)CC1 ZINC000891601503 657514541 /nfs/dbraw/zinc/51/45/41/657514541.db2.gz GURRERRIKSZWNT-UQPPLGOBSA-N 1 3 323.485 0.535 20 0 DCADHO C[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)CN1CCN(C)CC1 ZINC000891604478 657515763 /nfs/dbraw/zinc/51/57/63/657515763.db2.gz YVFNHKTWLODJET-OWCLPIDISA-N 1 3 323.485 0.406 20 0 DCADHO O=C(N[C@H]1C[C@H]([NH2+]CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001020406207 657525717 /nfs/dbraw/zinc/52/57/17/657525717.db2.gz MXYOHQOPRUFUCW-DSZOFWSKSA-N 1 3 319.449 0.887 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001010727469 657747873 /nfs/dbraw/zinc/74/78/73/657747873.db2.gz MUPWACPWFCLCIA-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001010727469 657747875 /nfs/dbraw/zinc/74/78/75/657747875.db2.gz MUPWACPWFCLCIA-LSDHHAIUSA-N 1 3 322.453 0.236 20 0 DCADHO Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998724614 665512474 /nfs/dbraw/zinc/51/24/74/665512474.db2.gz UYYWSARVZLLDRB-JKSUJKDBSA-N 1 3 319.453 0.903 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000970711915 657815017 /nfs/dbraw/zinc/81/50/17/657815017.db2.gz IQDXIKMLIIBXKK-HUUCEWRRSA-N 1 3 303.410 0.427 20 0 DCADHO Cc1ncc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000970711915 657815025 /nfs/dbraw/zinc/81/50/25/657815025.db2.gz IQDXIKMLIIBXKK-HUUCEWRRSA-N 1 3 303.410 0.427 20 0 DCADHO C[NH+](C)CCc1ccccc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969457219 657900893 /nfs/dbraw/zinc/90/08/93/657900893.db2.gz DFJSMYPYHCGDHM-CQSZACIVSA-N 1 3 318.421 0.080 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC000969722119 658103785 /nfs/dbraw/zinc/10/37/85/658103785.db2.gz LHLMMFZOJYUVDQ-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC000969722119 658103789 /nfs/dbraw/zinc/10/37/89/658103789.db2.gz LHLMMFZOJYUVDQ-SOUVJXGZSA-N 1 3 322.453 0.140 20 0 DCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000892019653 658111067 /nfs/dbraw/zinc/11/10/67/658111067.db2.gz QVNIDWKXPJJUCS-OAHLLOKOSA-N 1 3 311.474 0.391 20 0 DCADHO C[C@@H](C[NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000262397428 658130428 /nfs/dbraw/zinc/13/04/28/658130428.db2.gz PAXJNFKQLFMOAA-ZDUSSCGKSA-N 1 3 305.422 0.854 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)C1 ZINC001020588901 658159767 /nfs/dbraw/zinc/15/97/67/658159767.db2.gz PYYHVRLKNYEUTD-AJNGGQMLSA-N 1 3 322.453 0.186 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001020586739 658163896 /nfs/dbraw/zinc/16/38/96/658163896.db2.gz XPHSOWFKPUVMSP-TUVASFSCSA-N 1 3 322.453 0.328 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cn1 ZINC001020592271 658170089 /nfs/dbraw/zinc/17/00/89/658170089.db2.gz AIXXZYZNSHQHCL-RAEVTNRLSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cn1 ZINC001020592271 658170093 /nfs/dbraw/zinc/17/00/93/658170093.db2.gz AIXXZYZNSHQHCL-RAEVTNRLSA-N 1 3 317.437 0.720 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020592482 658171476 /nfs/dbraw/zinc/17/14/76/658171476.db2.gz GOYUHYQXCCBOOE-JHEVNIALSA-N 1 3 323.466 0.781 20 0 DCADHO Cc1nnsc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020592482 658171482 /nfs/dbraw/zinc/17/14/82/658171482.db2.gz GOYUHYQXCCBOOE-JHEVNIALSA-N 1 3 323.466 0.781 20 0 DCADHO CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2CNCCO2)CC1 ZINC000892181059 658271544 /nfs/dbraw/zinc/27/15/44/658271544.db2.gz QRDMKXRFKJUNRX-OAHLLOKOSA-N 1 3 312.458 0.785 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCOCC3)C2)C1 ZINC000969954221 658288531 /nfs/dbraw/zinc/28/85/31/658288531.db2.gz CDUMUCWXLQHMMR-GDBMZVCRSA-N 1 3 309.454 0.945 20 0 DCADHO Cn1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC001023889574 658297273 /nfs/dbraw/zinc/29/72/73/658297273.db2.gz PWKZNYJALLPYPN-HOCLYGCPSA-N 1 3 319.453 0.843 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)N(C)C ZINC000969985659 658324799 /nfs/dbraw/zinc/32/47/99/658324799.db2.gz LJBOXVVTSNKGAH-MCIONIFRSA-N 1 3 320.441 0.296 20 0 DCADHO CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022712557 658356720 /nfs/dbraw/zinc/35/67/20/658356720.db2.gz UCEQFSRNEASRDC-MCIONIFRSA-N 1 3 320.441 0.519 20 0 DCADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001022712685 658359676 /nfs/dbraw/zinc/35/96/76/658359676.db2.gz XPHSOWFKPUVMSP-BYNSBNAKSA-N 1 3 322.453 0.328 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972733906 658364073 /nfs/dbraw/zinc/36/40/73/658364073.db2.gz UWDMNRHAOUYTCD-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972733906 658364085 /nfs/dbraw/zinc/36/40/85/658364085.db2.gz UWDMNRHAOUYTCD-GJZGRUSLSA-N 1 3 320.441 0.153 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020676262 658367113 /nfs/dbraw/zinc/36/71/13/658367113.db2.gz YPSRNOSOOBAKLO-AJNGGQMLSA-N 1 3 322.453 0.375 20 0 DCADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC001022716220 658371261 /nfs/dbraw/zinc/37/12/61/658371261.db2.gz TVXWADBSXTWRQX-MCIONIFRSA-N 1 3 305.426 0.499 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCOC3)C2)C1 ZINC001022717482 658376919 /nfs/dbraw/zinc/37/69/19/658376919.db2.gz YIJLFCLJSOHOPC-YHUYYLMFSA-N 1 3 309.454 0.992 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022721234 658390314 /nfs/dbraw/zinc/39/03/14/658390314.db2.gz VKPVKGRLFKQRJJ-RABLLNBGSA-N 1 3 306.410 0.918 20 0 DCADHO Cc1oncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022721234 658390326 /nfs/dbraw/zinc/39/03/26/658390326.db2.gz VKPVKGRLFKQRJJ-RABLLNBGSA-N 1 3 306.410 0.918 20 0 DCADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235892 658468862 /nfs/dbraw/zinc/46/88/62/658468862.db2.gz SVYQWYNODOYXNI-OAHLLOKOSA-N 1 3 320.441 0.153 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001024265822 658544817 /nfs/dbraw/zinc/54/48/17/658544817.db2.gz DNUJMZBBETYMOB-OAHLLOKOSA-N 1 3 319.453 0.844 20 0 DCADHO Cn1ccnc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001024265821 658544870 /nfs/dbraw/zinc/54/48/70/658544870.db2.gz DNUJMZBBETYMOB-HNNXBMFYSA-N 1 3 319.453 0.844 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC000972330033 658573389 /nfs/dbraw/zinc/57/33/89/658573389.db2.gz CYUJEZYMLMWCGE-HOTGVXAUSA-N 1 3 319.453 0.900 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCn2cccn2)C1 ZINC000972330033 658573394 /nfs/dbraw/zinc/57/33/94/658573394.db2.gz CYUJEZYMLMWCGE-HOTGVXAUSA-N 1 3 319.453 0.900 20 0 DCADHO COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3C)C2)n1 ZINC001021894749 658624794 /nfs/dbraw/zinc/62/47/94/658624794.db2.gz CEWPYXDXYWHDSC-ZNMIVQPWSA-N 1 3 318.421 0.921 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047560 658725165 /nfs/dbraw/zinc/72/51/65/658725165.db2.gz HTQHICCQZRERGN-RBSFLKMASA-N 1 3 318.421 0.779 20 0 DCADHO COc1ncccc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047560 658725168 /nfs/dbraw/zinc/72/51/68/658725168.db2.gz HTQHICCQZRERGN-RBSFLKMASA-N 1 3 318.421 0.779 20 0 DCADHO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cc1 ZINC000970270158 658796020 /nfs/dbraw/zinc/79/60/20/658796020.db2.gz KAJQPPHNMYDTPZ-CQSZACIVSA-N 1 3 304.394 0.038 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001022103362 658865855 /nfs/dbraw/zinc/86/58/55/658865855.db2.gz HAVDAVJEJWEWTP-BQDHKBFISA-N 1 3 317.437 0.862 20 0 DCADHO Cc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001022103362 658865857 /nfs/dbraw/zinc/86/58/57/658865857.db2.gz HAVDAVJEJWEWTP-BQDHKBFISA-N 1 3 317.437 0.862 20 0 DCADHO C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)CC1 ZINC001032706105 665619433 /nfs/dbraw/zinc/61/94/33/665619433.db2.gz XYOUGYMOUPGJJJ-GJZGRUSLSA-N 1 3 307.438 0.792 20 0 DCADHO COCCN(C)CCNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000891491716 658889709 /nfs/dbraw/zinc/88/97/09/658889709.db2.gz CHTVZGZPQWSKJX-CYBMUJFWSA-N 1 3 300.447 0.642 20 0 DCADHO [NH3+]CC12CCC(CC1)N2C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000891514188 658898596 /nfs/dbraw/zinc/89/85/96/658898596.db2.gz NRSAHUGJMWNGEW-IQXANGCESA-N 1 3 308.426 0.515 20 0 DCADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1)C1CC1 ZINC000999373770 665634896 /nfs/dbraw/zinc/63/48/96/665634896.db2.gz RCVGXGLPTAKTTN-JKSUJKDBSA-N 1 3 319.453 0.841 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001027216983 659088101 /nfs/dbraw/zinc/08/81/01/659088101.db2.gz CRQFWBQTRVPVFZ-JKSUJKDBSA-N 1 3 309.454 0.947 20 0 DCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](NCc2cnnn2C)C1)[NH+](C)C ZINC000999437077 665644893 /nfs/dbraw/zinc/64/48/93/665644893.db2.gz WMQPVVJOOOLMJU-HIFRSBDPSA-N 1 3 322.457 0.482 20 0 DCADHO O=C(NCC1C[NH+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031856909 665660108 /nfs/dbraw/zinc/66/01/08/665660108.db2.gz LUKZBEGXKZLRFY-HQVVEAJESA-N 1 3 319.449 0.698 20 0 DCADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC000999597602 665662779 /nfs/dbraw/zinc/66/27/79/665662779.db2.gz GBBSAHFNADBDJO-IYXRBSQSSA-N 1 3 310.442 0.171 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026504138 659373226 /nfs/dbraw/zinc/37/32/26/659373226.db2.gz VRSCZRFLJKSGSD-RUXDESIVSA-N 1 3 310.442 0.363 20 0 DCADHO COCCN1CC[C@H](N2C(=O)N[C@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000924601115 659407778 /nfs/dbraw/zinc/40/77/78/659407778.db2.gz VBCMMTHTYURHSJ-UONOGXRCSA-N 1 3 324.425 0.113 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000892945224 659540926 /nfs/dbraw/zinc/54/09/26/659540926.db2.gz ZFIVIOURVAICGP-BZUAXINKSA-N 1 3 324.469 0.975 20 0 DCADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000892945224 659540929 /nfs/dbraw/zinc/54/09/29/659540929.db2.gz ZFIVIOURVAICGP-BZUAXINKSA-N 1 3 324.469 0.975 20 0 DCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001019774920 659613437 /nfs/dbraw/zinc/61/34/37/659613437.db2.gz NKNINRQLJUGBRD-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccnn3C)C2)CCC1 ZINC001026884928 659623750 /nfs/dbraw/zinc/62/37/50/659623750.db2.gz DISGQWGDRXBNRA-AWEZNQCLSA-N 1 3 319.453 0.843 20 0 DCADHO CC(C)[C@H](C(=O)N1CC[C@H](CNCc2cn(C)nn2)C1)[NH+](C)C ZINC001027043779 659729630 /nfs/dbraw/zinc/72/96/30/659729630.db2.gz LJGUUONSFKEJCV-UKRRQHHQSA-N 1 3 322.457 0.339 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H]4CCCO4)C[C@H]32)C1 ZINC001026043649 659760177 /nfs/dbraw/zinc/76/01/77/659760177.db2.gz YCDGOVNAHHLGEO-YXISZKLHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC[C@@H]4CCCO4)C[C@H]32)C1 ZINC001026043649 659760179 /nfs/dbraw/zinc/76/01/79/659760179.db2.gz YCDGOVNAHHLGEO-YXISZKLHSA-N 1 3 321.465 0.944 20 0 DCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001026043850 659760442 /nfs/dbraw/zinc/76/04/42/659760442.db2.gz GQOZBNBZZHPOIZ-LEOABGAYSA-N 1 3 317.437 0.127 20 0 DCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001026043850 659760444 /nfs/dbraw/zinc/76/04/44/659760444.db2.gz GQOZBNBZZHPOIZ-LEOABGAYSA-N 1 3 317.437 0.127 20 0 DCADHO Cn1cc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cn1 ZINC001027091282 659798547 /nfs/dbraw/zinc/79/85/47/659798547.db2.gz IZKMQBMBFAHCLM-GFCCVEGCSA-N 1 3 302.382 0.324 20 0 DCADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]CCO)C2)c1 ZINC000999871022 665705153 /nfs/dbraw/zinc/70/51/53/665705153.db2.gz SAUGDQVDCQYWBU-UHFFFAOYSA-N 1 3 305.422 0.933 20 0 DCADHO C[NH+]1CCC(C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)CC1 ZINC001000079803 665736384 /nfs/dbraw/zinc/73/63/84/665736384.db2.gz BMOZCFWKMBRKOA-OAHLLOKOSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2CCn2cccn2)C1 ZINC001028316422 661456232 /nfs/dbraw/zinc/45/62/32/661456232.db2.gz PMKRPEIQJBXKHD-CABCVRRESA-N 1 3 305.426 0.415 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2CCn2cccn2)C1 ZINC001028316422 661456235 /nfs/dbraw/zinc/45/62/35/661456235.db2.gz PMKRPEIQJBXKHD-CABCVRRESA-N 1 3 305.426 0.415 20 0 DCADHO CCN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000927633662 661458388 /nfs/dbraw/zinc/45/83/88/661458388.db2.gz QAHBIPDHBYNDRY-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO CCN(C(=O)NC[C@H]1CCN1C1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000927633662 661458391 /nfs/dbraw/zinc/45/83/91/661458391.db2.gz QAHBIPDHBYNDRY-HZPDHXFCSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001000198072 665773158 /nfs/dbraw/zinc/77/31/58/665773158.db2.gz KIRUOGBRRDYZNQ-GJZGRUSLSA-N 1 3 320.441 0.201 20 0 DCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028699247 661766337 /nfs/dbraw/zinc/76/63/37/661766337.db2.gz VZZQSDCDOMFFGH-VUGNNNGISA-N 1 3 321.465 0.944 20 0 DCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028699247 661766340 /nfs/dbraw/zinc/76/63/40/661766340.db2.gz VZZQSDCDOMFFGH-VUGNNNGISA-N 1 3 321.465 0.944 20 0 DCADHO CN(C)S(=O)(=O)[C@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000894390379 661954064 /nfs/dbraw/zinc/95/40/64/661954064.db2.gz COZOXFZCNDPDOQ-AWEZNQCLSA-N 1 3 303.472 0.684 20 0 DCADHO COc1cnc(NC[C@H]2CC[N@@H+]2C)nc1NC[C@H]1CCN1C ZINC000895770567 662213937 /nfs/dbraw/zinc/21/39/37/662213937.db2.gz PVWZVDOVUMHFRU-VXGBXAGGSA-N 1 3 306.414 0.717 20 0 DCADHO COc1cnc(NC[C@H]2CC[N@H+]2C)nc1NC[C@H]1CCN1C ZINC000895770567 662213938 /nfs/dbraw/zinc/21/39/38/662213938.db2.gz PVWZVDOVUMHFRU-VXGBXAGGSA-N 1 3 306.414 0.717 20 0 DCADHO COc1cnc(NC[C@@H]2CC[N@@H+]2C)nc1NC[C@H]1CCN1C ZINC000895770561 662213999 /nfs/dbraw/zinc/21/39/99/662213999.db2.gz PVWZVDOVUMHFRU-NEPJUHHUSA-N 1 3 306.414 0.717 20 0 DCADHO COc1cnc(NC[C@@H]2CC[N@H+]2C)nc1NC[C@H]1CCN1C ZINC000895770561 662214001 /nfs/dbraw/zinc/21/40/01/662214001.db2.gz PVWZVDOVUMHFRU-NEPJUHHUSA-N 1 3 306.414 0.717 20 0 DCADHO CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)[C@@H]1CCCN(C)C1 ZINC000896748242 662309950 /nfs/dbraw/zinc/30/99/50/662309950.db2.gz JJJVOVCDGDNYOJ-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[C@@H]1CCCN(C)C1 ZINC000896748242 662309952 /nfs/dbraw/zinc/30/99/52/662309952.db2.gz JJJVOVCDGDNYOJ-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000896748242 662309954 /nfs/dbraw/zinc/30/99/54/662309954.db2.gz JJJVOVCDGDNYOJ-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO CN(C(=O)NC[C@@H]1CCN1C1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000896748242 662309956 /nfs/dbraw/zinc/30/99/56/662309956.db2.gz JJJVOVCDGDNYOJ-JKSUJKDBSA-N 1 3 324.469 0.975 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC000984805528 662316407 /nfs/dbraw/zinc/31/64/07/662316407.db2.gz UFSNCMAWHPKCAC-ZQDZILKHSA-N 1 3 322.453 0.091 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000985074194 662362241 /nfs/dbraw/zinc/36/22/41/662362241.db2.gz RGUXIQFKAXKZFP-MGPQQGTHSA-N 1 3 306.410 0.782 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CCn2cccn2)CC1 ZINC001000516926 665866033 /nfs/dbraw/zinc/86/60/33/665866033.db2.gz CHIAKLDKSWMZSX-MRXNPFEDSA-N 1 3 317.437 0.726 20 0 DCADHO CN1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCn2cccn2)CC1 ZINC001000516926 665866035 /nfs/dbraw/zinc/86/60/35/665866035.db2.gz CHIAKLDKSWMZSX-MRXNPFEDSA-N 1 3 317.437 0.726 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC000985441172 662446600 /nfs/dbraw/zinc/44/66/00/662446600.db2.gz WCTXGJYMJLCOTI-VHDGCEQUSA-N 1 3 324.469 0.513 20 0 DCADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)[C@H](C)C(N)=O)CC2)CC[N@H+]1C ZINC000985441172 662446602 /nfs/dbraw/zinc/44/66/02/662446602.db2.gz WCTXGJYMJLCOTI-VHDGCEQUSA-N 1 3 324.469 0.513 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985458272 662454320 /nfs/dbraw/zinc/45/43/20/662454320.db2.gz BGBXORNRURQOGX-UKRRQHHQSA-N 1 3 324.469 0.657 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC000985458272 662454321 /nfs/dbraw/zinc/45/43/21/662454321.db2.gz BGBXORNRURQOGX-UKRRQHHQSA-N 1 3 324.469 0.657 20 0 DCADHO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001000541593 665872221 /nfs/dbraw/zinc/87/22/21/665872221.db2.gz IESMPISZOGOALY-HUUCEWRRSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@@H](C(=O)N1CCC(N(C)CC(N)=O)CC1)[NH+]1CCCCCC1 ZINC000985683457 662500064 /nfs/dbraw/zinc/50/00/64/662500064.db2.gz TZUMEVGKDUPAAE-AWEZNQCLSA-N 1 3 324.469 0.659 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358017 662583650 /nfs/dbraw/zinc/58/36/50/662583650.db2.gz VNEVCKPNXWBCDQ-ZFWWWQNUSA-N 1 3 322.453 0.282 20 0 DCADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1)C(N)=O ZINC001000548200 665879961 /nfs/dbraw/zinc/87/99/61/665879961.db2.gz ULRZSQFSPPCUJS-KBPBESRZSA-N 1 3 310.442 0.173 20 0 DCADHO C[C@@H]1[C@H](NCCF)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987278146 662665543 /nfs/dbraw/zinc/66/55/43/662665543.db2.gz IGOLODLVGRANQS-TZMCWYRMSA-N 1 3 301.406 0.646 20 0 DCADHO C[C@H]1[C@@H]([NH2+]CCn2cccn2)CCN1C(=O)CN1CCCC1 ZINC000987529550 662685099 /nfs/dbraw/zinc/68/50/99/662685099.db2.gz DKBXEOFQTAQDNE-GJZGRUSLSA-N 1 3 305.426 0.558 20 0 DCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000897507760 662796235 /nfs/dbraw/zinc/79/62/35/662796235.db2.gz GJGASYXBLXGQET-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000897507760 662796236 /nfs/dbraw/zinc/79/62/36/662796236.db2.gz GJGASYXBLXGQET-GJZGRUSLSA-N 1 3 312.458 0.617 20 0 DCADHO C[C@@H]1C[C@@H](NCc2ccnn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391410 662909662 /nfs/dbraw/zinc/90/96/62/662909662.db2.gz RYFYKPKHLGAMDJ-UKRRQHHQSA-N 1 3 319.453 0.841 20 0 DCADHO CCOC(=O)N1C[C@@H](CO)[C@@H](NC2CC[NH+](C3CC3)CC2)C1 ZINC000898350465 662950237 /nfs/dbraw/zinc/95/02/37/662950237.db2.gz ITKRUIDYIXWTIQ-WFASDCNBSA-N 1 3 311.426 0.652 20 0 DCADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990279690 663028393 /nfs/dbraw/zinc/02/83/93/663028393.db2.gz ZFEYIUBMUPFJRV-HNNXBMFYSA-N 1 3 320.441 0.473 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900687614 663272234 /nfs/dbraw/zinc/27/22/34/663272234.db2.gz UVPJISMZTDCUPQ-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900687614 663272236 /nfs/dbraw/zinc/27/22/36/663272236.db2.gz UVPJISMZTDCUPQ-HOTGVXAUSA-N 1 3 308.470 0.757 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000916139 665959915 /nfs/dbraw/zinc/95/99/15/665959915.db2.gz FUBFQDJQHGKBQL-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO Cn1nccc1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000916139 665959916 /nfs/dbraw/zinc/95/99/16/665959916.db2.gz FUBFQDJQHGKBQL-KBPBESRZSA-N 1 3 305.426 0.452 20 0 DCADHO CCCCNC(=O)[C@@H](C)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492045 663458325 /nfs/dbraw/zinc/45/83/25/663458325.db2.gz ISCFSRYJXJAJRY-IATRGZMQSA-N 1 3 311.426 0.504 20 0 DCADHO O=S(=O)(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CNC1 ZINC000903572151 663466729 /nfs/dbraw/zinc/46/67/29/663466729.db2.gz XEXBRPXVCXERKD-HIFRSBDPSA-N 1 3 323.418 0.134 20 0 DCADHO O=S1(=O)CCCN1CCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903749632 663476999 /nfs/dbraw/zinc/47/69/99/663476999.db2.gz NJZPDUFWIPUCDT-AWEZNQCLSA-N 1 3 301.456 0.343 20 0 DCADHO CC(C)(CO)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739526 663478801 /nfs/dbraw/zinc/47/88/01/663478801.db2.gz LJLAGMTVMREIAZ-OAHLLOKOSA-N 1 3 311.470 0.534 20 0 DCADHO c1cnc(N[C@@H]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nc1 ZINC000903763058 663480423 /nfs/dbraw/zinc/48/04/23/663480423.db2.gz HLSACCGGXWPQMD-IJEWVQPXSA-N 1 3 303.410 0.731 20 0 DCADHO Cn1c(CN2CCC(C(C)(C)C[NH3+])CC2)cc(=O)n(C)c1=O ZINC000903789098 663485280 /nfs/dbraw/zinc/48/52/80/663485280.db2.gz OBGQNHCERZWVBZ-UHFFFAOYSA-N 1 3 308.426 0.281 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N(C)CCN1CCCCC1)C(C)C ZINC000903813746 663486664 /nfs/dbraw/zinc/48/66/64/663486664.db2.gz AWLSOCIJFCAZJM-UHFFFAOYSA-N 1 3 312.458 0.387 20 0 DCADHO CN(C)[S@](C)(=O)=NCC1CCN(CCOCC[NH3+])CC1 ZINC000903872544 663490848 /nfs/dbraw/zinc/49/08/48/663490848.db2.gz ZWYHKXFCWMHZAR-HXUWFJFHSA-N 1 3 306.476 0.248 20 0 DCADHO CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]21 ZINC000903933020 663496720 /nfs/dbraw/zinc/49/67/20/663496720.db2.gz JVWLEOCAFZGVSL-BJDRPPBWSA-N 1 3 314.451 0.261 20 0 DCADHO COC(=O)c1ccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)[nH]1 ZINC000903977563 663499112 /nfs/dbraw/zinc/49/91/12/663499112.db2.gz UIZPQEPEJMBREQ-USBNGQNGSA-N 1 3 321.377 0.514 20 0 DCADHO c1cc(-c2nc([C@H]3CCCN3)no2)cc(N2CC[NH2+]CC2)n1 ZINC000905304904 663546458 /nfs/dbraw/zinc/54/64/58/663546458.db2.gz OCQOGBDDDPMXOV-GFCCVEGCSA-N 1 3 300.366 0.966 20 0 DCADHO O[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCCCC1)CN1CCCC1 ZINC000905345570 663547085 /nfs/dbraw/zinc/54/70/85/663547085.db2.gz ODILNRLFFKSMAC-GJZGRUSLSA-N 1 3 300.443 0.479 20 0 DCADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906656161 663627425 /nfs/dbraw/zinc/62/74/25/663627425.db2.gz QSEIVBLXMILSEN-GFCCVEGCSA-N 1 3 304.394 0.684 20 0 DCADHO C[NH+]1CCC(C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)CC1 ZINC001031948920 665991346 /nfs/dbraw/zinc/99/13/46/665991346.db2.gz UGHDTDDQSPAHFY-INIZCTEOSA-N 1 3 309.454 0.945 20 0 DCADHO C[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)N1CCCCC1 ZINC000910945078 663961138 /nfs/dbraw/zinc/96/11/38/663961138.db2.gz AYMNAAWVLHYBLY-RBSFLKMASA-N 1 3 324.469 0.339 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000910946467 663961059 /nfs/dbraw/zinc/96/10/59/663961059.db2.gz MOBYOGIJLITYKI-CABCVRRESA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000910946487 663961126 /nfs/dbraw/zinc/96/11/26/663961126.db2.gz MWONXOWNWJQOKD-SOUVJXGZSA-N 1 3 322.453 0.045 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)N1CCCCC1 ZINC000910947080 663961642 /nfs/dbraw/zinc/96/16/42/663961642.db2.gz SFIPLVBDQZHHCQ-KGLIPLIRSA-N 1 3 310.442 0.174 20 0 DCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911027507 663968862 /nfs/dbraw/zinc/96/88/62/663968862.db2.gz CQORHIRCUCSPEE-TUVASFSCSA-N 1 3 324.469 0.467 20 0 DCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911030280 663973989 /nfs/dbraw/zinc/97/39/89/663973989.db2.gz VEJQGFVACUXZAX-RDBSUJKOSA-N 1 3 324.469 0.337 20 0 DCADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000911160973 663995247 /nfs/dbraw/zinc/99/52/47/663995247.db2.gz IAQQTXROFGMRSU-OLZOCXBDSA-N 1 3 310.442 0.030 20 0 DCADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911161761 663995725 /nfs/dbraw/zinc/99/57/25/663995725.db2.gz MCMBLTVKIPWJJU-OAHLLOKOSA-N 1 3 324.469 0.483 20 0 DCADHO C[NH2+]CCN(C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000911324714 664028248 /nfs/dbraw/zinc/02/82/48/664028248.db2.gz JWRXDQJCUYWRLS-LSDHHAIUSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911333079 664029851 /nfs/dbraw/zinc/02/98/51/664029851.db2.gz QKZUPOLRKQRPGR-HUUCEWRRSA-N 1 3 324.469 0.420 20 0 DCADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN2CCC(C)(C)C2)C[NH2+]1 ZINC000911345704 664040022 /nfs/dbraw/zinc/04/00/22/664040022.db2.gz BVOJUBZWQLDMGU-OLZOCXBDSA-N 1 3 310.442 0.091 20 0 DCADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911532210 664069788 /nfs/dbraw/zinc/06/97/88/664069788.db2.gz KOBACBRCJXVMPG-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000911531972 664069936 /nfs/dbraw/zinc/06/99/36/664069936.db2.gz IAQTYIHGEFXFJS-STQMWFEESA-N 1 3 310.442 0.030 20 0 DCADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC[C@@H]1C[NH3+] ZINC000911532464 664070024 /nfs/dbraw/zinc/07/00/24/664070024.db2.gz LSLFUIRXUZVOOO-ZIAGYGMSSA-N 1 3 324.469 0.278 20 0 DCADHO CN1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CCC1(C)C ZINC000911558691 664078826 /nfs/dbraw/zinc/07/88/26/664078826.db2.gz XHQJLBCMILXGPK-AWEZNQCLSA-N 1 3 324.469 0.578 20 0 DCADHO C[C@@H]1CNCCN1C(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC000911724354 664102746 /nfs/dbraw/zinc/10/27/46/664102746.db2.gz LAKMWEDUOQPOPP-ZWNOBZJWSA-N 1 3 302.378 0.333 20 0 DCADHO C[C@@H]1CNCCN1C(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC000911724353 664102935 /nfs/dbraw/zinc/10/29/35/664102935.db2.gz LAKMWEDUOQPOPP-MFKMUULPSA-N 1 3 302.378 0.333 20 0 DCADHO COCCN1CC[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000730733425 664803347 /nfs/dbraw/zinc/80/33/47/664803347.db2.gz JVFICHLHEFFFRO-ZDUSSCGKSA-N 1 3 316.515 0.759 20 0 DCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000915153079 664867778 /nfs/dbraw/zinc/86/77/78/664867778.db2.gz LYUOGZMFWJUFQT-DZGCQCFKSA-N 1 3 312.458 0.879 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000993821582 665007443 /nfs/dbraw/zinc/00/74/43/665007443.db2.gz WUVZUVUMUBXVAX-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000993821582 665007445 /nfs/dbraw/zinc/00/74/45/665007445.db2.gz WUVZUVUMUBXVAX-GJZGRUSLSA-N 1 3 322.453 0.282 20 0 DCADHO COCC[N@@H+](C)CCCNC(=S)NC1CCN(C)CC1 ZINC000920309952 665266404 /nfs/dbraw/zinc/26/64/04/665266404.db2.gz GQBIFWWZTREILX-UHFFFAOYSA-N 1 3 302.488 0.513 20 0 DCADHO COCC[N@H+](C)CCCNC(=S)NC1CCN(C)CC1 ZINC000920309952 665266402 /nfs/dbraw/zinc/26/64/02/665266402.db2.gz GQBIFWWZTREILX-UHFFFAOYSA-N 1 3 302.488 0.513 20 0 DCADHO COCCN1CCC(NC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920756477 665281283 /nfs/dbraw/zinc/28/12/83/665281283.db2.gz HCXISMNNOCGGAZ-UHFFFAOYSA-N 1 3 314.499 0.656 20 0 DCADHO COC[C@H](C)N1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031679223 665284979 /nfs/dbraw/zinc/28/49/79/665284979.db2.gz NCDCJBVPAYSPLT-ZDUSSCGKSA-N 1 3 323.441 0.141 20 0 DCADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031715386 665323307 /nfs/dbraw/zinc/32/33/07/665323307.db2.gz SXCKZRUOTSRDCP-ZBFHGGJFSA-N 1 3 309.454 0.945 20 0 DCADHO CN(C)C1(C(=O)N2CCC(C[NH2+][C@H]3CCNC3=O)CC2)CCC1 ZINC000997824474 665351517 /nfs/dbraw/zinc/35/15/17/665351517.db2.gz SWFISIVDQKHHRC-AWEZNQCLSA-N 1 3 322.453 0.187 20 0 DCADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2=CCN(CCO)CC2)C1 ZINC001001370943 666043416 /nfs/dbraw/zinc/04/34/16/666043416.db2.gz LHQWSPSJLBVIDI-HOTGVXAUSA-N 1 3 309.454 0.847 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001417485 666049809 /nfs/dbraw/zinc/04/98/09/666049809.db2.gz DVQQPXAZOBBQAX-YUELXQCFSA-N 1 3 324.469 0.419 20 0 DCADHO CC[C@@H](C(N)=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001417485 666049811 /nfs/dbraw/zinc/04/98/11/666049811.db2.gz DVQQPXAZOBBQAX-YUELXQCFSA-N 1 3 324.469 0.419 20 0 DCADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001003331579 666295668 /nfs/dbraw/zinc/29/56/68/666295668.db2.gz HJCAPPOHCTUJQG-BFHRDPOASA-N 1 3 319.449 0.840 20 0 DCADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004617484 666570728 /nfs/dbraw/zinc/57/07/28/666570728.db2.gz QHDKEIISQIKPCV-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004617484 666570730 /nfs/dbraw/zinc/57/07/30/666570730.db2.gz QHDKEIISQIKPCV-MRXNPFEDSA-N 1 3 309.454 0.778 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946642371 666575324 /nfs/dbraw/zinc/57/53/24/666575324.db2.gz GULMIUPQYCIYEX-BYNSBNAKSA-N 1 3 324.469 0.371 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2CC1)N(C)C ZINC000946642371 666575327 /nfs/dbraw/zinc/57/53/27/666575327.db2.gz GULMIUPQYCIYEX-BYNSBNAKSA-N 1 3 324.469 0.371 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)C1 ZINC000946778968 666650529 /nfs/dbraw/zinc/65/05/29/666650529.db2.gz AINDKOJLOSMQIM-OAGGEKHMSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)C1 ZINC000946778968 666650531 /nfs/dbraw/zinc/65/05/31/666650531.db2.gz AINDKOJLOSMQIM-OAGGEKHMSA-N 1 3 309.454 0.491 20 0 DCADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C)C(N)=O ZINC000995916593 666722217 /nfs/dbraw/zinc/72/22/17/666722217.db2.gz IXZGLXGUWDHPKB-DGCLKSJQSA-N 1 3 310.442 0.171 20 0 DCADHO C[C@@H](N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996385453 666780107 /nfs/dbraw/zinc/78/01/07/666780107.db2.gz ICKNUVOTMCDCAD-TZMCWYRMSA-N 1 3 324.469 0.419 20 0 DCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033663711 666785925 /nfs/dbraw/zinc/78/59/25/666785925.db2.gz YEVLVOXZUTZIQX-GOEBONIOSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033663711 666785926 /nfs/dbraw/zinc/78/59/26/666785926.db2.gz YEVLVOXZUTZIQX-GOEBONIOSA-N 1 3 319.453 0.447 20 0 DCADHO CN(C)C1(C(=O)N2CCC([NH2+]CCn3cccn3)CC2)CCC1 ZINC000996667280 666852162 /nfs/dbraw/zinc/85/21/62/666852162.db2.gz VXMARFXVIDKAOA-UHFFFAOYSA-N 1 3 319.453 0.948 20 0 DCADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CCN(CCO)CC2)C1 ZINC001005493486 666891805 /nfs/dbraw/zinc/89/18/05/666891805.db2.gz SCWIJCKAWHDWHQ-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2CCN(CCO)CC2)C1 ZINC001005493486 666891808 /nfs/dbraw/zinc/89/18/08/666891808.db2.gz SCWIJCKAWHDWHQ-HNNXBMFYSA-N 1 3 311.470 0.879 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861571449 666945769 /nfs/dbraw/zinc/94/57/69/666945769.db2.gz CXCQOFSHQOXXFF-KKUMJFAQSA-N 1 3 310.442 0.489 20 0 DCADHO CC(C)[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861571449 666945772 /nfs/dbraw/zinc/94/57/72/666945772.db2.gz CXCQOFSHQOXXFF-KKUMJFAQSA-N 1 3 310.442 0.489 20 0 DCADHO CC[C@H](C(=O)N1CCC(CC[NH2+][C@H]2CCNC2=O)CC1)N(C)C ZINC001034572626 667069115 /nfs/dbraw/zinc/06/91/15/667069115.db2.gz XVSGJLGXCONPSK-LSDHHAIUSA-N 1 3 324.469 0.433 20 0 DCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997008541 667071224 /nfs/dbraw/zinc/07/12/24/667071224.db2.gz NEAWIJCNTOUGMQ-FZMZJTMJSA-N 1 3 323.466 0.816 20 0 DCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997008541 667071226 /nfs/dbraw/zinc/07/12/26/667071226.db2.gz NEAWIJCNTOUGMQ-FZMZJTMJSA-N 1 3 323.466 0.816 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000997041475 667086123 /nfs/dbraw/zinc/08/61/23/667086123.db2.gz KNBOYUAZSAVVPG-SUMWQHHRSA-N 1 3 318.421 0.959 20 0 DCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034659632 667094289 /nfs/dbraw/zinc/09/42/89/667094289.db2.gz VRSCZRFLJKSGSD-IHRRRGAJSA-N 1 3 310.442 0.363 20 0 DCADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000863749954 667175009 /nfs/dbraw/zinc/17/50/09/667175009.db2.gz HEKWPAVBLNEYJX-KGLIPLIRSA-N 1 3 310.442 0.269 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000997608257 667346919 /nfs/dbraw/zinc/34/69/19/667346919.db2.gz SUNWUXYMDCQUFW-HUUCEWRRSA-N 1 3 322.453 0.187 20 0 DCADHO CN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000997615805 667348616 /nfs/dbraw/zinc/34/86/16/667348616.db2.gz XAWWRFUXUAKBPY-CABCVRRESA-N 1 3 322.453 0.140 20 0 DCADHO CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CN(CC2CC2)CCO1 ZINC001035583871 667384878 /nfs/dbraw/zinc/38/48/78/667384878.db2.gz RADQCCYWXWRTIW-AWEZNQCLSA-N 1 3 318.421 0.988 20 0 DCADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035705668 667402531 /nfs/dbraw/zinc/40/25/31/667402531.db2.gz AFIWXTRZYZVITK-OAHLLOKOSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035705668 667402532 /nfs/dbraw/zinc/40/25/32/667402532.db2.gz AFIWXTRZYZVITK-OAHLLOKOSA-N 1 3 309.454 0.776 20 0 DCADHO COC[C@H](C)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035852162 667413324 /nfs/dbraw/zinc/41/33/24/667413324.db2.gz RGDWUWSNRURIII-GJZGRUSLSA-N 1 3 309.454 0.897 20 0 DCADHO COC[C@H](C)N1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035852162 667413325 /nfs/dbraw/zinc/41/33/25/667413325.db2.gz RGDWUWSNRURIII-GJZGRUSLSA-N 1 3 309.454 0.897 20 0 DCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC3(CN(CCCO)C3)CC2)C1 ZINC001035837566 667413892 /nfs/dbraw/zinc/41/38/92/667413892.db2.gz YFGCIMNROBYPJE-OAHLLOKOSA-N 1 3 309.454 0.635 20 0 DCADHO C[N@H+]1CC[C@H](CC(=O)N2CCC3(CN(CCCO)C3)CC2)C1 ZINC001035837566 667413893 /nfs/dbraw/zinc/41/38/93/667413893.db2.gz YFGCIMNROBYPJE-OAHLLOKOSA-N 1 3 309.454 0.635 20 0 DCADHO C[C@@H](O)CN1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035835373 667413916 /nfs/dbraw/zinc/41/39/16/667413916.db2.gz PGPHFQCTYWDKCM-CQSZACIVSA-N 1 3 307.438 0.387 20 0 DCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000923118683 667462339 /nfs/dbraw/zinc/46/23/39/667462339.db2.gz JZUVRRKZDUVQSQ-CWRNSKLLSA-N 1 3 324.469 0.879 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867607351 667475581 /nfs/dbraw/zinc/47/55/81/667475581.db2.gz NHQWMGIJQJXVEB-QLFBSQMISA-N 1 3 322.453 0.092 20 0 DCADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867607351 667475582 /nfs/dbraw/zinc/47/55/82/667475582.db2.gz NHQWMGIJQJXVEB-QLFBSQMISA-N 1 3 322.453 0.092 20 0 DCADHO OCCN(CCOCC(F)(F)F)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923312358 667502278 /nfs/dbraw/zinc/50/22/78/667502278.db2.gz GWJXHKRQQZMPMW-LLVKDONJSA-N 1 3 312.332 0.238 20 0 DCADHO NCC(C[NH3+])NC[C@@H](O)COc1c(Cl)cccc1Cl ZINC000923357338 667512979 /nfs/dbraw/zinc/51/29/79/667512979.db2.gz XROQZTBJVSKILF-SECBINFHSA-N 1 3 308.209 0.609 20 0 DCADHO COC[C@H](C)OC[C@H](O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364183 667516570 /nfs/dbraw/zinc/51/65/70/667516570.db2.gz JAPXUGSHQGLIPU-ZJIFWQFVSA-N 1 3 300.443 0.863 20 0 DCADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923384123 667521564 /nfs/dbraw/zinc/52/15/64/667521564.db2.gz APEXBWONDIYDNJ-GWCFXTLKSA-N 1 3 321.343 0.365 20 0 DCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884664849 667584683 /nfs/dbraw/zinc/58/46/83/667584683.db2.gz WNTREVAKMAYQEY-LBPRGKRZSA-N 1 3 312.458 0.467 20 0 DCADHO CN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCC1(C)C ZINC000884709978 667596778 /nfs/dbraw/zinc/59/67/78/667596778.db2.gz VBANMYNCLMBIOY-CQSZACIVSA-N 1 3 324.469 0.563 20 0 DCADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)CC[NH2+]1 ZINC000884718052 667598444 /nfs/dbraw/zinc/59/84/44/667598444.db2.gz TXEFUUYQYBAMHQ-STQMWFEESA-N 1 3 310.442 0.186 20 0 DCADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884720667 667599179 /nfs/dbraw/zinc/59/91/79/667599179.db2.gz RRXMHGGXWMAAFW-CYBMUJFWSA-N 1 3 312.458 0.563 20 0 DCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885199270 667651520 /nfs/dbraw/zinc/65/15/20/667651520.db2.gz RHMPITWNZRQWNL-OLZOCXBDSA-N 1 3 310.442 0.315 20 0 DCADHO CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)CC1 ZINC000886592858 667780706 /nfs/dbraw/zinc/78/07/06/667780706.db2.gz COAGVZBXDNJHFE-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)CC1 ZINC000886592858 667780708 /nfs/dbraw/zinc/78/07/08/667780708.db2.gz COAGVZBXDNJHFE-MRXNPFEDSA-N 1 3 310.486 0.813 20 0 DCADHO CN1CCN(C2CCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000870982146 667781364 /nfs/dbraw/zinc/78/13/64/667781364.db2.gz XPDXHVWTJQEMID-IRXDYDNUSA-N 1 3 320.481 0.755 20 0 DCADHO C[N@H+](CCO)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000886970590 667824017 /nfs/dbraw/zinc/82/40/17/667824017.db2.gz GWDQKNMOVLXQPO-OAHLLOKOSA-N 1 3 322.409 0.393 20 0 DCADHO C[N@@H+](CCO)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000886970590 667824020 /nfs/dbraw/zinc/82/40/20/667824020.db2.gz GWDQKNMOVLXQPO-OAHLLOKOSA-N 1 3 322.409 0.393 20 0 DCADHO COC(=O)CC1(NC[C@@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000749438081 667955528 /nfs/dbraw/zinc/95/55/28/667955528.db2.gz YWWURELEIVYNIO-CYBMUJFWSA-N 1 3 300.399 0.145 20 0 DCADHO C[C@@H](NCc1cccc(-n2cc(CN)nn2)c1)[C@@H]1CCC[NH2+]1 ZINC000873243208 668067907 /nfs/dbraw/zinc/06/79/07/668067907.db2.gz JKKMWHSMEHSVMW-WBMJQRKESA-N 1 3 300.410 0.956 20 0 DCADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873249350 668068521 /nfs/dbraw/zinc/06/85/21/668068521.db2.gz MQMRIMOTWLUJAW-NEPJUHHUSA-N 1 3 304.394 0.954 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000924621630 668222329 /nfs/dbraw/zinc/22/23/29/668222329.db2.gz YQJFHHQXCWBEHG-MZBDJJRSSA-N 1 3 323.462 0.806 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000875307641 668298325 /nfs/dbraw/zinc/29/83/25/668298325.db2.gz AMQNNRBBVARTCG-CQSZACIVSA-N 1 3 312.458 0.833 20 0 DCADHO COCCN1CC[C@@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000875307641 668298328 /nfs/dbraw/zinc/29/83/28/668298328.db2.gz AMQNNRBBVARTCG-CQSZACIVSA-N 1 3 312.458 0.833 20 0 DCADHO CC(C)S(=O)(=O)N1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925658013 668339399 /nfs/dbraw/zinc/33/93/99/668339399.db2.gz GHLLSWBSQTYPPE-OCCSQVGLSA-N 1 3 303.472 0.919 20 0 DCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000926412686 668405227 /nfs/dbraw/zinc/40/52/27/668405227.db2.gz CMQBGFAFOZSCBX-PEUVFPKISA-N 1 3 315.483 0.730 20 0 DCADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CCCN1C ZINC000876732625 668497781 /nfs/dbraw/zinc/49/77/81/668497781.db2.gz BBFOFBFAJQZHKI-UONOGXRCSA-N 1 3 305.426 0.940 20 0 DCADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876752188 668501939 /nfs/dbraw/zinc/50/19/39/668501939.db2.gz JCQODAMUPVVBMY-KBPBESRZSA-N 1 3 324.469 0.372 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000876772963 668507370 /nfs/dbraw/zinc/50/73/70/668507370.db2.gz KCZPJWMVWILDEW-ZDUSSCGKSA-N 1 3 305.426 0.827 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000876782639 668510592 /nfs/dbraw/zinc/51/05/92/668510592.db2.gz XXMJTUMFQPRBBD-PSVUTLLTSA-N 1 3 308.470 0.540 20 0 DCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000876782734 668510605 /nfs/dbraw/zinc/51/06/05/668510605.db2.gz UNVGRCUQVHSMHM-JWQHCSQXSA-N 1 3 308.470 0.398 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000876901172 668531645 /nfs/dbraw/zinc/53/16/45/668531645.db2.gz AMSMYIGJOHACLF-DOMZBBRYSA-N 1 3 317.437 0.968 20 0 DCADHO Cn1ncc(CN)c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876901172 668531648 /nfs/dbraw/zinc/53/16/48/668531648.db2.gz AMSMYIGJOHACLF-DOMZBBRYSA-N 1 3 317.437 0.968 20 0 DCADHO C[NH2+]CCOCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000877025322 668554138 /nfs/dbraw/zinc/55/41/38/668554138.db2.gz HRMLZHWGZSVJCH-LBPRGKRZSA-N 1 3 314.817 0.786 20 0 DCADHO CCN1CCN(CCC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000877246801 668582752 /nfs/dbraw/zinc/58/27/52/668582752.db2.gz QAHXQIVHSRPTOF-MUJYYYPQSA-N 1 3 308.470 0.661 20 0 DCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000877251336 668584025 /nfs/dbraw/zinc/58/40/25/668584025.db2.gz MRKZZICLOKTAEK-NSWPXQNRSA-N 1 3 320.481 0.637 20 0 DCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(N3CCN(C)CC3)CC2)C1 ZINC000877252055 668584867 /nfs/dbraw/zinc/58/48/67/668584867.db2.gz YWKYVDBHQZJHQP-GDBMZVCRSA-N 1 3 308.470 0.613 20 0 DCADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877271663 668589654 /nfs/dbraw/zinc/58/96/54/668589654.db2.gz DIXBTHPEJNHRCK-YESZJQIVSA-N 1 3 316.449 0.799 20 0 DCADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343335 668605529 /nfs/dbraw/zinc/60/55/29/668605529.db2.gz KRXNSZDYILUPOM-KBPBESRZSA-N 1 3 305.378 0.098 20 0 DCADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877403022 668616577 /nfs/dbraw/zinc/61/65/77/668616577.db2.gz LDYYLRVBPDUGPS-STQMWFEESA-N 1 3 311.426 0.696 20 0 DCADHO [NH3+][C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1c1ccc(F)cc1 ZINC000923657990 668616632 /nfs/dbraw/zinc/61/66/32/668616632.db2.gz GNIAGBGFOYPTPJ-UONOGXRCSA-N 1 3 313.398 0.244 20 0 DCADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000929751110 668729230 /nfs/dbraw/zinc/72/92/30/668729230.db2.gz MMQQWQQPKUQNDR-CYBMUJFWSA-N 1 3 312.458 0.291 20 0 DCADHO C[NH+]1CCC(NC(=O)CN2CCCCCCNC(=O)CC2)CC1 ZINC000879256724 669004049 /nfs/dbraw/zinc/00/40/49/669004049.db2.gz BGSLVZDGACDHFP-UHFFFAOYSA-N 1 3 324.469 0.579 20 0 DCADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@H](O)CO)C2)ccn1 ZINC000931094308 669133418 /nfs/dbraw/zinc/13/34/18/669133418.db2.gz LYCCZBMQKAVTPL-RDJZCZTQSA-N 1 3 323.437 0.728 20 0 DCADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@H](O)CO)C2)ccn1 ZINC000931094308 669133422 /nfs/dbraw/zinc/13/34/22/669133422.db2.gz LYCCZBMQKAVTPL-RDJZCZTQSA-N 1 3 323.437 0.728 20 0 DCADHO COC(=O)C1=C(C)O[C@@H](CN2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931483182 669210245 /nfs/dbraw/zinc/21/02/45/669210245.db2.gz XKZADUSMEDXDNZ-CYBMUJFWSA-N 1 3 312.410 0.611 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585339 669242771 /nfs/dbraw/zinc/24/27/71/669242771.db2.gz PVWNZUIPELAQBQ-LSDHHAIUSA-N 1 3 300.443 0.551 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585339 669242777 /nfs/dbraw/zinc/24/27/77/669242777.db2.gz PVWNZUIPELAQBQ-LSDHHAIUSA-N 1 3 300.443 0.551 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585338 669242887 /nfs/dbraw/zinc/24/28/87/669242887.db2.gz PVWNZUIPELAQBQ-HUUCEWRRSA-N 1 3 300.443 0.551 20 0 DCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585338 669242889 /nfs/dbraw/zinc/24/28/89/669242889.db2.gz PVWNZUIPELAQBQ-HUUCEWRRSA-N 1 3 300.443 0.551 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCCCC1 ZINC000793723043 669738130 /nfs/dbraw/zinc/73/81/30/669738130.db2.gz WDAJDJUYPLGPHI-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCCCC1 ZINC000793723043 669738135 /nfs/dbraw/zinc/73/81/35/669738135.db2.gz WDAJDJUYPLGPHI-KBPBESRZSA-N 1 3 324.469 0.576 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCCCC1 ZINC000793721991 669738860 /nfs/dbraw/zinc/73/88/60/669738860.db2.gz UAIAATMOAUPCLA-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC000947250169 669947034 /nfs/dbraw/zinc/94/70/34/669947034.db2.gz PVWMUHZPXNQBHB-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC000947250169 669947039 /nfs/dbraw/zinc/94/70/39/669947039.db2.gz PVWMUHZPXNQBHB-UKRRQHHQSA-N 1 3 324.469 0.386 20 0 DCADHO CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000950819220 670132389 /nfs/dbraw/zinc/13/23/89/670132389.db2.gz ARPNUVKRJOKQPK-CABCVRRESA-N 1 3 324.469 0.386 20 0 DCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000847332387 670537115 /nfs/dbraw/zinc/53/71/15/670537115.db2.gz QOAQIBXAEZUHEH-LJISPDSOSA-N 1 3 310.442 0.320 20 0 DCADHO CC[NH+]1CCC(N2CCC(C(=O)NOCCOC)CC2)CC1 ZINC000847548608 670573073 /nfs/dbraw/zinc/57/30/73/670573073.db2.gz UTPQEQODWRWZPS-UHFFFAOYSA-N 1 3 313.442 0.877 20 0 DCADHO Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)nc(N)n1 ZINC000814261773 670683487 /nfs/dbraw/zinc/68/34/87/670683487.db2.gz FPAGTBPZBLORLH-UHFFFAOYSA-N 1 3 306.414 0.771 20 0 DCADHO CNC(=O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848982100 670744825 /nfs/dbraw/zinc/74/48/25/670744825.db2.gz XRKAZMQSQGEGEO-UHFFFAOYSA-N 1 3 303.410 0.511 20 0 DCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N1CCCCC1 ZINC000848986422 670746301 /nfs/dbraw/zinc/74/63/01/670746301.db2.gz PZHANWOKVQYRJB-CQSZACIVSA-N 1 3 309.458 0.987 20 0 DCADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000849484296 670810468 /nfs/dbraw/zinc/81/04/68/670810468.db2.gz AEQCSAAWPRJOPQ-HUUCEWRRSA-N 1 3 321.469 0.912 20 0 DCADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N1CCCCC1 ZINC000857100759 670881481 /nfs/dbraw/zinc/88/14/81/670881481.db2.gz MQAYIVDOGZSKFQ-CPUCHLNUSA-N 1 3 322.453 0.317 20 0 DCADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000817945872 670956063 /nfs/dbraw/zinc/95/60/63/670956063.db2.gz NXZSCQSVXINCSU-QGZVFWFLSA-N 1 3 322.453 0.284 20 0 DCADHO O=C(C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000817951363 670956384 /nfs/dbraw/zinc/95/63/84/670956384.db2.gz DRUMUTMXSPZYEV-RHSMWYFYSA-N 1 3 320.437 0.038 20 0 DCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)C1(C)C ZINC000820087207 671164346 /nfs/dbraw/zinc/16/43/46/671164346.db2.gz RZDFHMDXYFACER-UONOGXRCSA-N 1 3 314.474 0.813 20 0 DCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)C1(C)C ZINC000820087207 671164351 /nfs/dbraw/zinc/16/43/51/671164351.db2.gz RZDFHMDXYFACER-UONOGXRCSA-N 1 3 314.474 0.813 20 0 DCADHO [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCCN2Cc2ccccc2)=NO1 ZINC000852868911 671180005 /nfs/dbraw/zinc/18/00/05/671180005.db2.gz PBYPBKXYXASEEU-CABCVRRESA-N 1 3 316.405 0.871 20 0 DCADHO CN(C)C[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)c2ccccc2O1 ZINC000852872800 671181848 /nfs/dbraw/zinc/18/18/48/671181848.db2.gz RMDVZEQSVKSKTL-RYUDHWBXSA-N 1 3 318.377 0.446 20 0 DCADHO COC(=O)C1CCN(CCCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852883135 671185179 /nfs/dbraw/zinc/18/51/79/671185179.db2.gz BGCGAEFHIWCZJE-UHFFFAOYSA-N 1 3 323.437 0.688 20 0 DCADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CC12CC[NH2+]CC2 ZINC000831180425 671657423 /nfs/dbraw/zinc/65/74/23/671657423.db2.gz OIRQUNBYSSIQFU-MCIONIFRSA-N 1 3 308.426 0.291 20 0 DCADHO C[NH+](C)CCCCCCCNC(=O)N1CCOC2(CNC2)C1 ZINC000841739696 671952433 /nfs/dbraw/zinc/95/24/33/671952433.db2.gz BCFQNJZGXCSTPJ-UHFFFAOYSA-N 1 3 312.458 0.882 20 0 DCADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000841791271 671955965 /nfs/dbraw/zinc/95/59/65/671955965.db2.gz RGXYIIFWTXZEEY-KBUPBQIOSA-N 1 3 310.442 0.476 20 0 DCADHO CC[NH2+]CC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000841791511 671956515 /nfs/dbraw/zinc/95/65/15/671956515.db2.gz YQSHAJYZWTYTDV-HOTGVXAUSA-N 1 3 324.469 0.881 20 0 DCADHO [NH3+][C@H]1CCc2ncc(NC(=O)c3n[nH]c4c3CNCC4)cc2C1 ZINC000843456030 672098279 /nfs/dbraw/zinc/09/82/79/672098279.db2.gz YDKNVQCNHGUNJE-JTQLQIEISA-N 1 3 312.377 0.519 20 0 DCADHO N[C@H](CC(F)F)C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843471290 672101103 /nfs/dbraw/zinc/10/11/03/672101103.db2.gz BTZXOUGUPRMDRU-SECBINFHSA-N 1 3 300.309 0.296 20 0 DCADHO CCN1CCN([C@@H](C)CNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844192481 672161144 /nfs/dbraw/zinc/16/11/44/672161144.db2.gz UIGCITCDAMUVPA-AWEZNQCLSA-N 1 3 304.438 0.901 20 0 DCADHO [NH3+]C[C@]12CCC[C@H]1CN([C@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000846224635 672301434 /nfs/dbraw/zinc/30/14/34/672301434.db2.gz VSRGQDGKJSZUJH-QRTARXTBSA-N 1 3 307.438 0.827 20 0 DCADHO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000870881109 685390008 /nfs/dbraw/zinc/39/00/08/685390008.db2.gz CVHUDVYMNGYSNJ-SHTZXODSSA-N 1 3 322.453 0.271 20 0 DCADHO CC[C@@H](C)C[C@@H](N)C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001649061839 1158628764 /nfs/dbraw/zinc/62/87/64/1158628764.db2.gz BCRFTLVBMLNILX-FSPSUXSGSA-N 1 3 311.426 0.489 20 0 DCADHO CCOC(=O)CC[C@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000385646411 685246928 /nfs/dbraw/zinc/24/69/28/685246928.db2.gz JFVGSCXFPZZHNB-MELADBBJSA-N 1 3 300.399 0.143 20 0 DCADHO CCOC(=O)CC[C@H](O)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000385646411 685246929 /nfs/dbraw/zinc/24/69/29/685246929.db2.gz JFVGSCXFPZZHNB-MELADBBJSA-N 1 3 300.399 0.143 20 0 DCADHO CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC000953903537 685894311 /nfs/dbraw/zinc/89/43/11/685894311.db2.gz WDOFEJHRBZGXPJ-CABCVRRESA-N 1 3 324.469 0.336 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC000955338218 686371242 /nfs/dbraw/zinc/37/12/42/686371242.db2.gz BCAZQLDVWVSPEL-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO CC[C@H](C(=O)N1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC000955338218 686371251 /nfs/dbraw/zinc/37/12/51/686371251.db2.gz BCAZQLDVWVSPEL-DZGCQCFKSA-N 1 3 324.469 0.338 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000960216402 688327410 /nfs/dbraw/zinc/32/74/10/688327410.db2.gz GLKZWGFTDUFUSO-HOTGVXAUSA-N 1 3 319.453 0.843 20 0 DCADHO Cn1cc(CNC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000960216402 688327415 /nfs/dbraw/zinc/32/74/15/688327415.db2.gz GLKZWGFTDUFUSO-HOTGVXAUSA-N 1 3 319.453 0.843 20 0 DCADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCO ZINC000960303219 688347108 /nfs/dbraw/zinc/34/71/08/688347108.db2.gz CIJLHFQOUUIXFM-MZMPZRCHSA-N 1 3 317.433 0.835 20 0 DCADHO CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000960753601 688450184 /nfs/dbraw/zinc/45/01/84/688450184.db2.gz FSUNLMWBCSBTGO-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000960753601 688450186 /nfs/dbraw/zinc/45/01/86/688450186.db2.gz FSUNLMWBCSBTGO-GWUWNPHMSA-N 1 3 307.438 0.792 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CC[N@@H+](CCCO)C2)C1 ZINC000961230062 688576516 /nfs/dbraw/zinc/57/65/16/688576516.db2.gz KHUXIHIOJMTQBF-LSDHHAIUSA-N 1 3 320.437 0.895 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CC[N@H+](CCCO)C2)C1 ZINC000961230062 688576520 /nfs/dbraw/zinc/57/65/20/688576520.db2.gz KHUXIHIOJMTQBF-LSDHHAIUSA-N 1 3 320.437 0.895 20 0 DCADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961281294 688586772 /nfs/dbraw/zinc/58/67/72/688586772.db2.gz MHRJJDPLUOQLGH-GTHOZQOVSA-N 1 3 319.449 0.696 20 0 DCADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961281294 688586777 /nfs/dbraw/zinc/58/67/77/688586777.db2.gz MHRJJDPLUOQLGH-GTHOZQOVSA-N 1 3 319.449 0.696 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC000962406581 688902025 /nfs/dbraw/zinc/90/20/25/688902025.db2.gz OLOYBQIQGDWAFP-SZOQZIPDSA-N 1 3 318.421 0.876 20 0 DCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]21 ZINC000962406581 688902028 /nfs/dbraw/zinc/90/20/28/688902028.db2.gz OLOYBQIQGDWAFP-SZOQZIPDSA-N 1 3 318.421 0.876 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000962710978 688969989 /nfs/dbraw/zinc/96/99/89/688969989.db2.gz PTOILDFYWNBGBL-MOKVOYLWSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1ccnc1CNCC1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000962710978 688969993 /nfs/dbraw/zinc/96/99/93/688969993.db2.gz PTOILDFYWNBGBL-MOKVOYLWSA-N 1 3 305.426 0.356 20 0 DCADHO Cn1cc(CN[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000968702548 690371584 /nfs/dbraw/zinc/37/15/84/690371584.db2.gz IMOSWNPMUJEDJU-CVEARBPZSA-N 1 3 317.437 0.452 20 0 DCADHO Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n[nH]1 ZINC000968701982 690371610 /nfs/dbraw/zinc/37/16/10/690371610.db2.gz BHONZZSALBIZNM-KGLIPLIRSA-N 1 3 318.425 0.145 20 0 DCADHO CO[C@H](C)CN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014475595 692027622 /nfs/dbraw/zinc/02/76/22/692027622.db2.gz XGLAQXIHZOJYFK-KGLIPLIRSA-N 1 3 323.441 0.284 20 0 DCADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN2CCCC2)C1)[C@@H]1CCNC1=O ZINC001017259411 692875768 /nfs/dbraw/zinc/87/57/68/692875768.db2.gz DWRSYGYIFZSEKF-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN2CCCC2)C1)[C@@H]1CCNC1=O ZINC001017259411 692875773 /nfs/dbraw/zinc/87/57/73/692875773.db2.gz DWRSYGYIFZSEKF-LSDHHAIUSA-N 1 3 322.453 0.141 20 0 DCADHO CC(C)(C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1)[NH+]1CCCCC1 ZINC001018848183 693261260 /nfs/dbraw/zinc/26/12/60/693261260.db2.gz GCQZCJWOAQHRBO-KBPBESRZSA-N 1 3 322.453 0.330 20 0 DCADHO Cn1nccc1CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018857312 693264938 /nfs/dbraw/zinc/26/49/38/693264938.db2.gz UGOVXADDVTYYNT-HOCLYGCPSA-N 1 3 317.437 0.452 20 0 DCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001018938469 693289018 /nfs/dbraw/zinc/28/90/18/693289018.db2.gz PNAWAPKFVYHADK-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cnn(C)c2)C1 ZINC001018938469 693289022 /nfs/dbraw/zinc/28/90/22/693289022.db2.gz PNAWAPKFVYHADK-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)CCC1 ZINC001018962967 693298743 /nfs/dbraw/zinc/29/87/43/693298743.db2.gz SCPXAARRFNUKDX-AWEZNQCLSA-N 1 3 305.426 0.558 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCn2nc(C)nc2C)C1)N(C)C ZINC001019034464 693331267 /nfs/dbraw/zinc/33/12/67/693331267.db2.gz DVXVEEVYYMUBLY-LSDHHAIUSA-N 1 3 322.457 0.426 20 0 DCADHO Cn1cc(CN[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001019087831 693350024 /nfs/dbraw/zinc/35/00/24/693350024.db2.gz GGGGMVVSYSAYQR-HNNXBMFYSA-N 1 3 317.437 0.739 20 0 DCADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001019386087 693457835 /nfs/dbraw/zinc/45/78/35/693457835.db2.gz BGYXCRCWZJNQFG-UONOGXRCSA-N 1 3 322.453 0.187 20 0 DCADHO C[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1)C(N)=O ZINC001019630701 693547561 /nfs/dbraw/zinc/54/75/61/693547561.db2.gz IEULQOILZRTWOY-DOMZBBRYSA-N 1 3 322.453 0.173 20 0 DCADHO O=C(CN[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)N1CCC1 ZINC001019812482 693593373 /nfs/dbraw/zinc/59/33/73/693593373.db2.gz RDBWSYHZPRLPDF-HNNXBMFYSA-N 1 3 322.453 0.285 20 0 DCADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1)C(N)=O ZINC001020156705 693716331 /nfs/dbraw/zinc/71/63/31/693716331.db2.gz XCYSHGPZLGTHFB-IHRRRGAJSA-N 1 3 324.469 0.752 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020171177 693721611 /nfs/dbraw/zinc/72/16/11/693721611.db2.gz QUGJBYNBIHTFQX-RGCMKSIDSA-N 1 3 320.441 0.375 20 0 DCADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020171177 693721615 /nfs/dbraw/zinc/72/16/15/693721615.db2.gz QUGJBYNBIHTFQX-RGCMKSIDSA-N 1 3 320.441 0.375 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@H+](C[C@H]1CCCOC1)C2 ZINC001073019073 694695372 /nfs/dbraw/zinc/69/53/72/694695372.db2.gz SNELDOYFPNRTNW-CQSZACIVSA-N 1 3 318.421 0.913 20 0 DCADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[N@@H+](C[C@H]1CCCOC1)C2 ZINC001073019073 694695373 /nfs/dbraw/zinc/69/53/73/694695373.db2.gz SNELDOYFPNRTNW-CQSZACIVSA-N 1 3 318.421 0.913 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073035849 694697132 /nfs/dbraw/zinc/69/71/32/694697132.db2.gz WPQKXEDUYSOADB-HNNXBMFYSA-N 1 3 309.454 0.776 20 0 DCADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073035849 694697133 /nfs/dbraw/zinc/69/71/33/694697133.db2.gz WPQKXEDUYSOADB-HNNXBMFYSA-N 1 3 309.454 0.776 20 0 DCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)[C@@H]1C)N(C)C ZINC001074709552 694918413 /nfs/dbraw/zinc/91/84/13/694918413.db2.gz HLLGYLBZQQXLPZ-IGQOVBAYSA-N 1 3 310.442 0.136 20 0 DCADHO C[C@H]1[C@@H]([NH2+][C@H]2CCCN(C)C2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074792903 694923628 /nfs/dbraw/zinc/92/36/28/694923628.db2.gz DFOUPRDSLHOXPS-ZQDZILKHSA-N 1 3 322.453 0.280 20 0 DCADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001074877853 694928028 /nfs/dbraw/zinc/92/80/28/694928028.db2.gz PLYXXQYJTRRBAI-DZKIICNBSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccnn2C)[C@@H]1C ZINC001074877853 694928029 /nfs/dbraw/zinc/92/80/29/694928029.db2.gz PLYXXQYJTRRBAI-DZKIICNBSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccnn2C)[C@@H]1C ZINC001074877853 694928030 /nfs/dbraw/zinc/92/80/30/694928030.db2.gz PLYXXQYJTRRBAI-DZKIICNBSA-N 1 3 319.453 0.983 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106495 694938254 /nfs/dbraw/zinc/93/82/54/694938254.db2.gz DQXROEBCCCSWDO-CFVMTHIKSA-N 1 3 305.426 0.451 20 0 DCADHO C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106495 694938255 /nfs/dbraw/zinc/93/82/55/694938255.db2.gz DQXROEBCCCSWDO-CFVMTHIKSA-N 1 3 305.426 0.451 20 0 DCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001075166645 694940636 /nfs/dbraw/zinc/94/06/36/694940636.db2.gz HNKGNWBWGXIUBZ-VMUDFCTBSA-N 1 3 324.469 0.289 20 0 DCADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CCN1CCCC1=O)N(C)C ZINC001691464936 1157784170 /nfs/dbraw/zinc/78/41/70/1157784170.db2.gz HWEBELFQRYIQIS-OAHLLOKOSA-N 1 3 312.458 0.243 20 0 DCADHO CO[C@H]1C[NH2+]C[C@H]1S(=O)(=O)[N-]CC[NH+](C(C)C)C(C)C ZINC000396676944 1157960199 /nfs/dbraw/zinc/96/01/99/1157960199.db2.gz ULGSNOQASBBPIE-QWHCGFSZSA-N 1 3 307.460 0.011 20 0 DCADHO N[C@@H]1CCc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc2NC1=O ZINC001649124488 1158717370 /nfs/dbraw/zinc/71/73/70/1158717370.db2.gz AWXYKAVFOVZLNB-CTHBEMJXSA-N 1 3 314.389 0.521 20 0 DCADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001350015943 1159175516 /nfs/dbraw/zinc/17/55/16/1159175516.db2.gz WVXQAMMISHEWPL-MGPQQGTHSA-N 1 3 310.442 0.315 20 0 DCADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001445972273 1159326250 /nfs/dbraw/zinc/32/62/50/1159326250.db2.gz WWOZTJPGNFVNNZ-DGCLKSJQSA-N 1 3 310.442 0.090 20 0 DCADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC001446256467 1159373848 /nfs/dbraw/zinc/37/38/48/1159373848.db2.gz CWTWZCFPPVRQEM-UHFFFAOYSA-N 1 3 320.437 0.466 20 0 DCADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001446670820 1159498762 /nfs/dbraw/zinc/49/87/62/1159498762.db2.gz PBBPXVMNOZSYEQ-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001446670820 1159498768 /nfs/dbraw/zinc/49/87/68/1159498768.db2.gz PBBPXVMNOZSYEQ-AWEZNQCLSA-N 1 3 321.425 0.353 20 0 DCADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001446701205 1159504993 /nfs/dbraw/zinc/50/49/93/1159504993.db2.gz IJPYAPLZRSHPGO-CQSZACIVSA-N 1 3 313.442 0.107 20 0 DCADHO C[C@@H]([NH2+]CCOCCO)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001566534096 1160041834 /nfs/dbraw/zinc/04/18/34/1160041834.db2.gz RJNKGIVOTNQIBD-UKRRQHHQSA-N 1 3 324.425 0.320 20 0 DCADHO CCCCNC(=O)CNCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001567555531 1160419299 /nfs/dbraw/zinc/41/92/99/1160419299.db2.gz RBIHOFLQBBWFMO-UHFFFAOYSA-N 1 3 312.458 0.293 20 0 DCADHO CCCN(C)CC(=O)N(C)CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001567593727 1160434716 /nfs/dbraw/zinc/43/47/16/1160434716.db2.gz QZGDLVCOJBQBGY-CQSZACIVSA-N 1 3 312.458 0.293 20 0 DCADHO CN(CC(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl)CC(C)(C)C ZINC001568580342 1160692843 /nfs/dbraw/zinc/69/28/43/1160692843.db2.gz VHSWBIGATJTDDV-FYJFLYSWSA-N 1 3 305.850 0.784 20 0 DCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC1CC1 ZINC001568713565 1160746548 /nfs/dbraw/zinc/74/65/48/1160746548.db2.gz HLTIDCDHZYTVBC-ZFWWWQNUSA-N 1 3 324.469 0.624 20 0 DCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001568858362 1160821963 /nfs/dbraw/zinc/82/19/63/1160821963.db2.gz LYLOPIMAFFMIEE-LSMGEYOZSA-N 1 3 308.426 0.011 20 0 DCADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CN[C@@H]1CCNC1=O ZINC001568858362 1160821973 /nfs/dbraw/zinc/82/19/73/1160821973.db2.gz LYLOPIMAFFMIEE-LSMGEYOZSA-N 1 3 308.426 0.011 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(N)=O ZINC001568862236 1160823808 /nfs/dbraw/zinc/82/38/08/1160823808.db2.gz FVBQWFLQIKSVDI-SDCXRFKSSA-N 1 3 322.453 0.529 20 0 DCADHO C[C@H](NC/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(N)=O ZINC001568862236 1160823816 /nfs/dbraw/zinc/82/38/16/1160823816.db2.gz FVBQWFLQIKSVDI-SDCXRFKSSA-N 1 3 322.453 0.529 20 0 DCADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001568963594 1160900304 /nfs/dbraw/zinc/90/03/04/1160900304.db2.gz DMAQPLMDNKXPAP-BIOMNHJASA-N 1 3 323.359 0.658 20 0 DCADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CCCC1)C(=O)NC1CC1 ZINC001569267432 1160999600 /nfs/dbraw/zinc/99/96/00/1160999600.db2.gz VFIXGYISPJNDQO-CYBMUJFWSA-N 1 3 310.442 0.187 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CCCF)C2)C1 ZINC001570290632 1161546077 /nfs/dbraw/zinc/54/60/77/1161546077.db2.gz BPFRUNIDCDCIFD-ZBFHGGJFSA-N 1 3 315.433 0.631 20 0 DCADHO C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)C[C@@H]1CC[NH2+]C1 ZINC001573636517 1163520145 /nfs/dbraw/zinc/52/01/45/1163520145.db2.gz QOOOEWPTRXRQIA-MGPQQGTHSA-N 1 3 301.456 0.484 20 0 DCADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001575139564 1163914313 /nfs/dbraw/zinc/91/43/13/1163914313.db2.gz NCEXPKBHSYDCFP-GJZGRUSLSA-N 1 3 323.485 0.548 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CNCc1cn[nH]n1)C1CC1 ZINC001575420141 1164007945 /nfs/dbraw/zinc/00/79/45/1164007945.db2.gz JEXYYDWBEAAAMB-GJZGRUSLSA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CNCc1cn[nH]n1)C1CC1 ZINC001575420141 1164007953 /nfs/dbraw/zinc/00/79/53/1164007953.db2.gz JEXYYDWBEAAAMB-GJZGRUSLSA-N 1 3 320.441 0.662 20 0 DCADHO CC(C)[C@@H](C(=O)NC[C@H](NCc1cn[nH]n1)C1CC1)[NH+](C)C ZINC001575440732 1164015306 /nfs/dbraw/zinc/01/53/06/1164015306.db2.gz AEIYTCVTPWFNDG-KBPBESRZSA-N 1 3 308.430 0.375 20 0 DCADHO CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CC1C[NH2+]C1 ZINC001575498054 1164038004 /nfs/dbraw/zinc/03/80/04/1164038004.db2.gz HZUZNHPOAAGXFX-CABCVRRESA-N 1 3 315.483 0.730 20 0 DCADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001575962013 1164194955 /nfs/dbraw/zinc/19/49/55/1164194955.db2.gz IRFFEGKGUXHXAF-XGUBFFRZSA-N 1 3 309.458 0.205 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001576002561 1164207626 /nfs/dbraw/zinc/20/76/26/1164207626.db2.gz BLBQXXRNEFTOEE-ZDUSSCGKSA-N 1 3 321.425 0.225 20 0 DCADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001576002561 1164207632 /nfs/dbraw/zinc/20/76/32/1164207632.db2.gz BLBQXXRNEFTOEE-ZDUSSCGKSA-N 1 3 321.425 0.225 20 0 DCADHO C[C@H](CNC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2)[NH+](C)C ZINC001576033291 1164217795 /nfs/dbraw/zinc/21/77/95/1164217795.db2.gz QILWFFQFAWWKNF-MFKMUULPSA-N 1 3 304.394 0.579 20 0 DCADHO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNCc2cn[nH]n2)C1 ZINC001576105476 1164242992 /nfs/dbraw/zinc/24/29/92/1164242992.db2.gz VCRALUCOEAPBGL-DZGCQCFKSA-N 1 3 320.441 0.617 20 0 DCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNCc2cn[nH]n2)C1 ZINC001576105476 1164242999 /nfs/dbraw/zinc/24/29/99/1164242999.db2.gz VCRALUCOEAPBGL-DZGCQCFKSA-N 1 3 320.441 0.617 20 0 DCADHO C[C@@H]1CNC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC001576850597 1164493619 /nfs/dbraw/zinc/49/36/19/1164493619.db2.gz UVMGVNDFSOYGDC-QQOZWVEPSA-N 1 3 308.470 0.658 20 0 DCADHO C[N@@H+]1CC[C@@H](C(=O)NC2(CNCc3cn[nH]n3)CCCC2)C1 ZINC001576875077 1164510847 /nfs/dbraw/zinc/51/08/47/1164510847.db2.gz BTOAKCSOYDWQDO-GFCCVEGCSA-N 1 3 306.414 0.275 20 0 DCADHO C[N@H+]1CC[C@@H](C(=O)NC2(CNCc3cn[nH]n3)CCCC2)C1 ZINC001576875077 1164510855 /nfs/dbraw/zinc/51/08/55/1164510855.db2.gz BTOAKCSOYDWQDO-GFCCVEGCSA-N 1 3 306.414 0.275 20 0 DCADHO CN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cn[nH]n2)C1 ZINC001576906203 1164526139 /nfs/dbraw/zinc/52/61/39/1164526139.db2.gz OPQJABQSAZYIQZ-GJZGRUSLSA-N 1 3 320.441 0.412 20 0 DCADHO CCCC[C@@H](C(=O)OC)N1C[C@H]2C[C@H]([NH3+])C[C@@]2(C(=O)OC)C1 ZINC001577388489 1164682605 /nfs/dbraw/zinc/68/26/05/1164682605.db2.gz ZHUXQPLLEMTJQL-LMOYCYGVSA-N 1 3 312.410 0.931 20 0 DCADHO CCN1C[C@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C(C)(C)C1 ZINC001577760090 1164784721 /nfs/dbraw/zinc/78/47/21/1164784721.db2.gz LVBVMINGCVICMF-AWEZNQCLSA-N 1 3 319.453 0.808 20 0 DCADHO CN(C)CCN(CCc1ccccc1)C(=O)C[C@@]1(O)CC[NH2+]C1 ZINC001578417173 1165007897 /nfs/dbraw/zinc/00/78/97/1165007897.db2.gz PUMUWSADCGLXHC-SFHVURJKSA-N 1 3 319.449 0.734 20 0 DCADHO CN(C)CCn1nccc1NC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001578418771 1165008455 /nfs/dbraw/zinc/00/84/55/1165008455.db2.gz HSNHFHRWMKVJOW-DOMZBBRYSA-N 1 3 306.414 0.790 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC001578641438 1165074746 /nfs/dbraw/zinc/07/47/46/1165074746.db2.gz SBNOGANAWXKJSH-ZBFHGGJFSA-N 1 3 307.438 0.793 20 0 DCADHO COC(=O)C[C@H](N)C(=O)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001578814648 1165127241 /nfs/dbraw/zinc/12/72/41/1165127241.db2.gz AYXQTGSXYBMNOL-KGLIPLIRSA-N 1 3 323.368 0.059 20 0 DCADHO COC(=O)c1oc(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1C ZINC001578887559 1165151424 /nfs/dbraw/zinc/15/14/24/1165151424.db2.gz DTIGYMSWMRLTLL-LBPRGKRZSA-N 1 3 323.393 0.662 20 0 DCADHO [NH3+]CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC2CC2)CC1 ZINC001580316959 1165569754 /nfs/dbraw/zinc/56/97/54/1165569754.db2.gz RWBJURVYCJORCI-UHFFFAOYSA-N 1 3 315.425 0.764 20 0 DCADHO Nc1nnc([C@@H]2CCCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)o1 ZINC001580473079 1165614349 /nfs/dbraw/zinc/61/43/49/1165614349.db2.gz MKIAZARJTFOWCV-XUJVJEKNSA-N 1 3 307.398 0.600 20 0 DCADHO O=C(N[C@@H](CO)CN1CCCCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001580589208 1165647537 /nfs/dbraw/zinc/64/75/37/1165647537.db2.gz AMIZNDIQGAVMCP-OWCLPIDISA-N 1 3 309.454 0.585 20 0 DCADHO O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580609874 1165656114 /nfs/dbraw/zinc/65/61/14/1165656114.db2.gz VPYYJTHMPUYYKN-DZQJYWQESA-N 1 3 307.438 0.621 20 0 DCADHO C[C@@H]1CCC[N@@H+]1CC(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C ZINC001583525873 1166263744 /nfs/dbraw/zinc/26/37/44/1166263744.db2.gz ZPDGRYNLBOFSGI-LPUOJRKPSA-N 1 3 322.453 0.354 20 0 DCADHO C[C@@H]1CCC[N@H+]1CC(=O)NC/C=C\CNC(=O)[C@H]1CCCN1C ZINC001583525873 1166263749 /nfs/dbraw/zinc/26/37/49/1166263749.db2.gz ZPDGRYNLBOFSGI-LPUOJRKPSA-N 1 3 322.453 0.354 20 0 DCADHO C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001604894686 1169734115 /nfs/dbraw/zinc/73/41/15/1169734115.db2.gz QKGRLQYJKCKQCF-JTQLQIEISA-N 1 3 308.361 0.892 20 0 DCADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001650156356 1171550712 /nfs/dbraw/zinc/55/07/12/1171550712.db2.gz BLOVXCNTEDYNQI-LSDHHAIUSA-N 1 3 300.443 0.864 20 0 DCADHO C[N@@H+]1CCCC[C@@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC001650156356 1171550715 /nfs/dbraw/zinc/55/07/15/1171550715.db2.gz BLOVXCNTEDYNQI-LSDHHAIUSA-N 1 3 300.443 0.864 20 0 DCADHO CN1CCN(CCNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC001646539941 1172418002 /nfs/dbraw/zinc/41/80/02/1172418002.db2.gz DNCKNPSKQRSPER-KGLIPLIRSA-N 1 3 311.474 0.439 20 0 DCADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001646747668 1172507717 /nfs/dbraw/zinc/50/77/17/1172507717.db2.gz JUIKMARZLIWVJV-OHFALNGGSA-N 1 3 319.449 0.982 20 0 DCADHO O=C(NC[C@H]1C[NH2+]CCCO1)c1cccc2c1OCCNC2 ZINC001646747285 1172508233 /nfs/dbraw/zinc/50/82/33/1172508233.db2.gz FXIUMIDZEUCOJP-CYBMUJFWSA-N 1 3 305.378 0.277 20 0 DCADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC001647574777 1172978573 /nfs/dbraw/zinc/97/85/73/1172978573.db2.gz HEKWLRMCYSGADY-QKPAOTATSA-N 1 3 323.485 0.262 20 0 DCADHO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001650331838 1173572114 /nfs/dbraw/zinc/57/21/14/1173572114.db2.gz ISZPUKUDNXSWQO-KBMXLJTQSA-N 1 3 305.422 0.594 20 0 DCADHO N[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCCCCC1 ZINC001650345721 1173581814 /nfs/dbraw/zinc/58/18/14/1173581814.db2.gz IERQOZWDFDKDGN-HZPDHXFCSA-N 1 3 308.470 0.790 20 0 DCADHO O=C(c1cc2c(s1)CNCC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001650349031 1173585139 /nfs/dbraw/zinc/58/51/39/1173585139.db2.gz YFJWTMIMXWZPMH-CYBMUJFWSA-N 1 3 320.462 0.514 20 0 DCADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc2c1CNC2 ZINC001650385251 1173607678 /nfs/dbraw/zinc/60/76/78/1173607678.db2.gz WJKBLFKMLHCLBV-AWEZNQCLSA-N 1 3 302.378 0.487 20 0 DCADHO C[C@@H](CC[NH2+]CCn1cccn1)NC(=O)CN1CC[C@@H](C)C1 ZINC001668213727 1174769921 /nfs/dbraw/zinc/76/99/21/1174769921.db2.gz DPFALADWBDADAX-CABCVRRESA-N 1 3 307.442 0.709 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001668973248 1174870242 /nfs/dbraw/zinc/87/02/42/1174870242.db2.gz NHYZXISVUYUTOV-SZZPACECSA-N 1 3 310.442 0.387 20 0 DCADHO C[NH+](C)CCC(=O)NC/C=C\CN[C@@H]1CCN(C2CCC2)C1=O ZINC001669020774 1174877401 /nfs/dbraw/zinc/87/74/01/1174877401.db2.gz JDRRYFFAGDHUPE-ABCZVMIZSA-N 1 3 322.453 0.354 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001669118576 1174896624 /nfs/dbraw/zinc/89/66/24/1174896624.db2.gz OASIUKWLTLVEPF-YVACAVLKSA-N 1 3 324.469 0.633 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001669188635 1174907289 /nfs/dbraw/zinc/90/72/89/1174907289.db2.gz GZCZPEPIOPRNCT-BEWKBBBFSA-N 1 3 324.469 0.455 20 0 DCADHO CC(C)N(C)C(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001669188635 1174907291 /nfs/dbraw/zinc/90/72/91/1174907291.db2.gz GZCZPEPIOPRNCT-BEWKBBBFSA-N 1 3 324.469 0.455 20 0 DCADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001675791215 1175391721 /nfs/dbraw/zinc/39/17/21/1175391721.db2.gz COCZQVJBTOVCBI-KKUMJFAQSA-N 1 3 320.441 0.104 20 0 DCADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H](C[NH2+]CCO)C2)c1 ZINC001675832627 1175393775 /nfs/dbraw/zinc/39/37/75/1175393775.db2.gz SYJZHOFBARBDLP-KOMQPUFPSA-N 1 3 305.422 0.839 20 0 DCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccnn2C)C1 ZINC001675832616 1175393985 /nfs/dbraw/zinc/39/39/85/1175393985.db2.gz SNJKGABGNOEEFW-SHTZXODSSA-N 1 3 321.469 0.787 20 0 DCADHO CC(C)[C@@H](C(=O)NCCNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC001686803116 1176227172 /nfs/dbraw/zinc/22/71/72/1176227172.db2.gz QQIIHSHPERSDQC-ZDUSSCGKSA-N 1 3 312.458 0.147 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[N@@H+]1CCC[C@@H]1C)N(C)C ZINC001687097174 1176276116 /nfs/dbraw/zinc/27/61/16/1176276116.db2.gz ZVJCPOYQXRLIJH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[C@@H](C(=O)NCCCNC(=O)C[N@H+]1CCC[C@@H]1C)N(C)C ZINC001687097174 1176276123 /nfs/dbraw/zinc/27/61/23/1176276123.db2.gz ZVJCPOYQXRLIJH-KBPBESRZSA-N 1 3 312.458 0.433 20 0 DCADHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCCNC1=O ZINC001689936217 1177117957 /nfs/dbraw/zinc/11/79/57/1177117957.db2.gz IEOMKWOBPQYZPL-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCCNC1=O ZINC001689936217 1177117961 /nfs/dbraw/zinc/11/79/61/1177117961.db2.gz IEOMKWOBPQYZPL-CQSZACIVSA-N 1 3 324.469 0.578 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001689968895 1177129912 /nfs/dbraw/zinc/12/99/12/1177129912.db2.gz CPSRRQKWVHILSU-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)C(=O)N(C)C ZINC001689968895 1177129918 /nfs/dbraw/zinc/12/99/18/1177129918.db2.gz CPSRRQKWVHILSU-KBPBESRZSA-N 1 3 312.458 0.243 20 0 DCADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CCCO)C2)C1 ZINC001690290250 1177207394 /nfs/dbraw/zinc/20/73/94/1177207394.db2.gz ZMGLZXUFZKEABE-XEZPLFJOSA-N 1 3 315.433 0.818 20 0 DCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCCO)[C@H](C)C2)CC1 ZINC001698890746 1177708148 /nfs/dbraw/zinc/70/81/48/1177708148.db2.gz FDMVSTUQHVXZOT-HZPDHXFCSA-N 1 3 311.470 0.927 20 0 DCADHO CNC(=O)C[NH2+]CC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001699158922 1177901070 /nfs/dbraw/zinc/90/10/70/1177901070.db2.gz JXSNNHUDPVSONQ-ZDUSSCGKSA-N 1 3 320.437 0.592 20 0 DCADHO CC(C)(C(=O)NC/C=C\CN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001699291544 1178035759 /nfs/dbraw/zinc/03/57/59/1178035759.db2.gz HNANWVCGTWRURI-SCOBNMCVSA-N 1 3 308.426 0.011 20 0 DCADHO CN(CCC[NH2+]C[C@H]1CCc2ncnn21)C(=O)[C@@H]1CCCN1C ZINC001699500379 1178166128 /nfs/dbraw/zinc/16/61/28/1178166128.db2.gz VIADBNWBQISEDW-KGLIPLIRSA-N 1 3 320.441 0.298 20 0 DCADHO CN1CCC[C@@H]1C(=O)N1CCC(OCCC[NH2+]CCO)CC1 ZINC001700508909 1178641763 /nfs/dbraw/zinc/64/17/63/1178641763.db2.gz SQXBAYZUCAIFPN-OAHLLOKOSA-N 1 3 313.442 0.060 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC001703272128 1179434667 /nfs/dbraw/zinc/43/46/67/1179434667.db2.gz LQOWGDOBRMFXEN-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO CC[C@@H](C(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC001703272128 1179434670 /nfs/dbraw/zinc/43/46/70/1179434670.db2.gz LQOWGDOBRMFXEN-IHRRRGAJSA-N 1 3 312.458 0.289 20 0 DCADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCO)C1 ZINC001707167453 1180427028 /nfs/dbraw/zinc/42/70/28/1180427028.db2.gz UIXZIGLTPKQAGZ-OAGGEKHMSA-N 1 3 311.470 0.927 20 0 DCADHO CCN1CC[C@@H]([N@H+](CC)CCCNC(=O)[C@H]2CCCN2C)C1=O ZINC001707461167 1180522390 /nfs/dbraw/zinc/52/23/90/1180522390.db2.gz YLBCGNZLIPQMLV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO CCN1CC[C@@H]([N@@H+](CC)CCCNC(=O)[C@H]2CCCN2C)C1=O ZINC001707461167 1180522395 /nfs/dbraw/zinc/52/23/95/1180522395.db2.gz YLBCGNZLIPQMLV-HUUCEWRRSA-N 1 3 324.469 0.530 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NCC2CCC2)CC[N@@H+]1C ZINC001713593114 1180952272 /nfs/dbraw/zinc/95/22/72/1180952272.db2.gz WIAUNWOGXZUIGS-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@@H]1[C@H](C(=O)N(C)CCNCC(=O)NCC2CCC2)CC[N@H+]1C ZINC001713593114 1180952276 /nfs/dbraw/zinc/95/22/76/1180952276.db2.gz WIAUNWOGXZUIGS-UKRRQHHQSA-N 1 3 324.469 0.291 20 0 DCADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001713634622 1180982544 /nfs/dbraw/zinc/98/25/44/1180982544.db2.gz ZANBZMGFEFMJKN-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CN(CCNCc1cncn1C)C(=O)CC1CC[NH+](C)CC1 ZINC001714765040 1181532988 /nfs/dbraw/zinc/53/29/88/1181532988.db2.gz UATPWDIVPKXUNJ-UHFFFAOYSA-N 1 3 307.442 0.700 20 0 DCADHO C[C@H](CC[NH2+]CCc1ccnn1C)NC(=O)CN1CC[C@@H](C)C1 ZINC001716174486 1182233622 /nfs/dbraw/zinc/23/36/22/1182233622.db2.gz SQOXNVULTRGQMU-HUUCEWRRSA-N 1 3 321.469 0.789 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716248793 1182276640 /nfs/dbraw/zinc/27/66/40/1182276640.db2.gz LBWAJMRGAKQZGJ-ZDUSSCGKSA-N 1 3 308.430 0.393 20 0 DCADHO CCN(CCNCc1n[nH]c(C)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001716248793 1182276645 /nfs/dbraw/zinc/27/66/45/1182276645.db2.gz LBWAJMRGAKQZGJ-ZDUSSCGKSA-N 1 3 308.430 0.393 20 0 DCADHO CC[C@H](NC/C=C\CNC(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001716351912 1182351697 /nfs/dbraw/zinc/35/16/97/1182351697.db2.gz IDFCFCDTXDENAE-WSNITJDQSA-N 1 3 310.442 0.244 20 0 DCADHO CN1CCC[C@@H](NC/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001716367124 1182361393 /nfs/dbraw/zinc/36/13/93/1182361393.db2.gz HZQCRBDWGMGPAV-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO CN1CCC[C@@H](NC/C=C\CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001716367124 1182361399 /nfs/dbraw/zinc/36/13/99/1182361399.db2.gz HZQCRBDWGMGPAV-LPUOJRKPSA-N 1 3 322.453 0.211 20 0 DCADHO Cc1[nH]cnc1CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCCOC1 ZINC001716370295 1182362307 /nfs/dbraw/zinc/36/23/07/1182362307.db2.gz UTLILUSUYFQPSC-HSWBROFVSA-N 1 3 306.410 0.949 20 0 DCADHO CCn1nncc1CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001717694420 1182954833 /nfs/dbraw/zinc/95/48/33/1182954833.db2.gz LXFPRTNNZLIKSD-KGLIPLIRSA-N 1 3 322.457 0.624 20 0 DCADHO CCn1nncc1CNCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717694420 1182954835 /nfs/dbraw/zinc/95/48/35/1182954835.db2.gz LXFPRTNNZLIKSD-KGLIPLIRSA-N 1 3 322.457 0.624 20 0 DCADHO CN(C)C1(C(=O)N(C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001720485714 1183625679 /nfs/dbraw/zinc/62/56/79/1183625679.db2.gz JRDCJFDGPIBVNR-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CN(C)C1(C(=O)N(C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001720485714 1183625680 /nfs/dbraw/zinc/62/56/80/1183625680.db2.gz JRDCJFDGPIBVNR-AWEZNQCLSA-N 1 3 324.469 0.387 20 0 DCADHO CCOCCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001724914217 1184617469 /nfs/dbraw/zinc/61/74/69/1184617469.db2.gz VUJNCYPPJOOCBI-INIZCTEOSA-N 1 3 324.425 0.322 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001725693201 1184946317 /nfs/dbraw/zinc/94/63/17/1184946317.db2.gz SFVPIHMVCJIZIG-HUUCEWRRSA-N 1 3 315.433 0.772 20 0 DCADHO CN(C[C@H](O)CNCCF)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001725693201 1184946319 /nfs/dbraw/zinc/94/63/19/1184946319.db2.gz SFVPIHMVCJIZIG-HUUCEWRRSA-N 1 3 315.433 0.772 20 0 DCADHO C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001731952181 1185600842 /nfs/dbraw/zinc/60/08/42/1185600842.db2.gz IMECXDUIDWKRMQ-IUODEOHRSA-N 1 3 303.422 0.628 20 0 DCADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](O)CNCCF)C1 ZINC001732658631 1185901383 /nfs/dbraw/zinc/90/13/83/1185901383.db2.gz QTXYMKXHOSHJRZ-RISCZKNCSA-N 1 3 307.385 0.235 20 0 DCADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H](O)CNCCF)C1 ZINC001732658631 1185901387 /nfs/dbraw/zinc/90/13/87/1185901387.db2.gz QTXYMKXHOSHJRZ-RISCZKNCSA-N 1 3 307.385 0.235 20 0 DCADHO CN(C)C(=O)C[NH2+]CC[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001733652560 1186390866 /nfs/dbraw/zinc/39/08/66/1186390866.db2.gz MSDSZHHEMFGENR-CQSZACIVSA-N 1 3 324.469 0.387 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001738527554 1187583556 /nfs/dbraw/zinc/58/35/56/1187583556.db2.gz JOHKLFMGUIVABJ-NFAHFFEMSA-N 1 3 324.469 0.457 20 0 DCADHO CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001738527554 1187583559 /nfs/dbraw/zinc/58/35/59/1187583559.db2.gz JOHKLFMGUIVABJ-NFAHFFEMSA-N 1 3 324.469 0.457 20 0 DCADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@H](N)CCC(=O)OC)CC1 ZINC001771880200 1188361207 /nfs/dbraw/zinc/36/12/07/1188361207.db2.gz UQYULGKUJVQSFR-CYBMUJFWSA-N 1 3 311.426 0.744 20 0 DCADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001753029123 1188480019 /nfs/dbraw/zinc/48/00/19/1188480019.db2.gz VRBRPJRYVLWZGR-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001753029123 1188480021 /nfs/dbraw/zinc/48/00/21/1188480021.db2.gz VRBRPJRYVLWZGR-CABCVRRESA-N 1 3 324.469 0.705 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001753202622 1188533575 /nfs/dbraw/zinc/53/35/75/1188533575.db2.gz NVKUJUAQSPOFGK-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO CN(CCNCc1cnn(C)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001753202622 1188533577 /nfs/dbraw/zinc/53/35/77/1188533577.db2.gz NVKUJUAQSPOFGK-HOTGVXAUSA-N 1 3 319.453 0.985 20 0 DCADHO CN1CC[C@H](NC/C=C\CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001754142881 1188758319 /nfs/dbraw/zinc/75/83/19/1188758319.db2.gz AKPZFVZGNGGJND-SFAKSCPVSA-N 1 3 320.437 0.108 20 0 DCADHO CCN1CC[C@@H](NC/C=C\CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001754162684 1188765941 /nfs/dbraw/zinc/76/59/41/1188765941.db2.gz AKXPRMNEYZXGKG-FOSCPCJNSA-N 1 3 322.453 0.211 20 0 DCADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC001755236559 1189061684 /nfs/dbraw/zinc/06/16/84/1189061684.db2.gz HQAJTRFTQMBANV-STQMWFEESA-N 1 3 324.469 0.480 20 0 DCADHO COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001755789388 1189214389 /nfs/dbraw/zinc/21/43/89/1189214389.db2.gz MIMYUUKYAIFNQF-LSDHHAIUSA-N 1 3 315.458 0.305 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001758089851 1189717698 /nfs/dbraw/zinc/71/76/98/1189717698.db2.gz PHBDEGDXMPNUSO-AWEZNQCLSA-N 1 3 324.469 0.435 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001758214479 1189784510 /nfs/dbraw/zinc/78/45/10/1189784510.db2.gz GLGWIFAKHUKNAF-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001758214479 1189784514 /nfs/dbraw/zinc/78/45/14/1189784514.db2.gz GLGWIFAKHUKNAF-LSDHHAIUSA-N 1 3 324.469 0.293 20 0 DCADHO CN1CC[C@@]2(CCN(S(=O)(=O)CC3CC[NH2+]CC3)C2)C1 ZINC000313063109 1190394862 /nfs/dbraw/zinc/39/48/62/1190394862.db2.gz UMFBLZLSNRVKNJ-CQSZACIVSA-N 1 3 301.456 0.343 20 0 DCADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456469 1190407933 /nfs/dbraw/zinc/40/79/33/1190407933.db2.gz RJVVWDSILAYZPN-JSGCOSHPSA-N 1 3 311.386 0.472 20 0 DCADHO CC(C)[N@H+]1CC[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456469 1190407937 /nfs/dbraw/zinc/40/79/37/1190407937.db2.gz RJVVWDSILAYZPN-JSGCOSHPSA-N 1 3 311.386 0.472 20 0 DCADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000315456469 1190407938 /nfs/dbraw/zinc/40/79/38/1190407938.db2.gz RJVVWDSILAYZPN-JSGCOSHPSA-N 1 3 311.386 0.472 20 0 DCADHO C[NH2+]C[C@H](C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001771755069 1190490278 /nfs/dbraw/zinc/49/02/78/1190490278.db2.gz MWMZLYKNHDCMOV-HNNXBMFYSA-N 1 3 318.465 0.906 20 0 DCADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001771896747 1190545125 /nfs/dbraw/zinc/54/51/25/1190545125.db2.gz XZCVLUYDMJSBTL-LBPRGKRZSA-N 1 3 322.400 0.451 20 0 DCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001575115759 1163904591 /nfs/dbraw/zinc/90/45/91/1163904591.db2.gz JLIZXHCGKQPXFS-VNQPRFMTSA-N 1 3 300.443 0.586 20 0 DCADHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCc1c[nH]nn1 ZINC001576106749 1164242692 /nfs/dbraw/zinc/24/26/92/1164242692.db2.gz FOQQXIHZLQELQL-JSGCOSHPSA-N 1 3 308.430 0.473 20 0 DCADHO CN(C)Cc1ccnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001164425324 718917982 /nfs/dbraw/zinc/91/79/82/718917982.db2.gz RRPMPJFTPNBZBK-QGZVFWFLSA-N 1 3 320.437 0.729 20 0 DCADHO